smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1ncccc1O ZINC001440427609 1093626602 /nfs/dbraw/zinc/62/66/02/1093626602.db2.gz UEURVAIVBJEUGP-UHFFFAOYSA-N 1 2 342.237 2.090 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1ncccc1O ZINC001440427609 1093626605 /nfs/dbraw/zinc/62/66/05/1093626605.db2.gz UEURVAIVBJEUGP-UHFFFAOYSA-N 1 2 342.237 2.090 20 30 EEEDLO C[C@@H](CC(=O)NCC[N@H+](C)Cc1ccccc1C#N)c1cnn(C)c1 ZINC001437498779 1089879716 /nfs/dbraw/zinc/87/97/16/1089879716.db2.gz KLHYNPINKCJVJS-HNNXBMFYSA-N 1 2 339.443 2.034 20 30 EEEDLO C[C@@H](CC(=O)NCC[N@@H+](C)Cc1ccccc1C#N)c1cnn(C)c1 ZINC001437498779 1089879726 /nfs/dbraw/zinc/87/97/26/1089879726.db2.gz KLHYNPINKCJVJS-HNNXBMFYSA-N 1 2 339.443 2.034 20 30 EEEDLO COC1(CC(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)CCC1 ZINC001438116358 1090648026 /nfs/dbraw/zinc/64/80/26/1090648026.db2.gz KIMWUCKNNQRGDG-UHFFFAOYSA-N 1 2 345.418 2.205 20 30 EEEDLO COCCC1(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001438119870 1090649988 /nfs/dbraw/zinc/64/99/88/1090649988.db2.gz OIIIAMQAXHYPAI-UHFFFAOYSA-N 1 2 345.418 2.062 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2c(F)cc(C)cc2F)C1 ZINC001440002201 1093114618 /nfs/dbraw/zinc/11/46/18/1093114618.db2.gz RFJBDAGNTDQZLH-INIZCTEOSA-N 1 2 344.789 2.192 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2c(F)cc(C)cc2F)C1 ZINC001440002201 1093114620 /nfs/dbraw/zinc/11/46/20/1093114620.db2.gz RFJBDAGNTDQZLH-INIZCTEOSA-N 1 2 344.789 2.192 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@]1(C)CCCOC1 ZINC001496810303 1101512664 /nfs/dbraw/zinc/51/26/64/1101512664.db2.gz OXOWQVXMKUHNDG-IBGZPJMESA-N 1 2 347.434 2.404 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@]1(C)CCCOC1 ZINC001496810303 1101512667 /nfs/dbraw/zinc/51/26/67/1101512667.db2.gz OXOWQVXMKUHNDG-IBGZPJMESA-N 1 2 347.434 2.404 20 30 EEEDLO C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[N@H+](C)Cc1ccncc1Cl ZINC001448000957 1103773722 /nfs/dbraw/zinc/77/37/22/1103773722.db2.gz AELZAUGEXRNHTM-NSHDSACASA-N 1 2 331.807 2.185 20 30 EEEDLO C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[N@@H+](C)Cc1ccncc1Cl ZINC001448000957 1103773732 /nfs/dbraw/zinc/77/37/32/1103773732.db2.gz AELZAUGEXRNHTM-NSHDSACASA-N 1 2 331.807 2.185 20 30 EEEDLO C[C@@H](CNC(=O)c1[nH]nc2c1CCC2)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001448032645 1103841477 /nfs/dbraw/zinc/84/14/77/1103841477.db2.gz AHJSFMACAKNNOP-ZDUSSCGKSA-N 1 2 337.427 2.020 20 30 EEEDLO C[C@@H](CNC(=O)c1[nH]nc2c1CCC2)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001448032645 1103841497 /nfs/dbraw/zinc/84/14/97/1103841497.db2.gz AHJSFMACAKNNOP-ZDUSSCGKSA-N 1 2 337.427 2.020 20 30 EEEDLO COCC1(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CCC1 ZINC001499020303 1108466611 /nfs/dbraw/zinc/46/66/11/1108466611.db2.gz FVTHTVBDQGLKIK-CYBMUJFWSA-N 1 2 333.457 2.127 20 30 EEEDLO COCC1(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)CCC1 ZINC001499020303 1108466616 /nfs/dbraw/zinc/46/66/16/1108466616.db2.gz FVTHTVBDQGLKIK-CYBMUJFWSA-N 1 2 333.457 2.127 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2occc2C(C)C)C1 ZINC001500714127 1113039793 /nfs/dbraw/zinc/03/97/93/1113039793.db2.gz IOYDATVANIQTQR-INIZCTEOSA-N 1 2 326.824 2.322 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2occc2C(C)C)C1 ZINC001500714127 1113039796 /nfs/dbraw/zinc/03/97/96/1113039796.db2.gz IOYDATVANIQTQR-INIZCTEOSA-N 1 2 326.824 2.322 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(-n2ccnc2)nc1 ZINC001505974531 1114313513 /nfs/dbraw/zinc/31/35/13/1114313513.db2.gz QNZIYHKAAHYJGF-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(-n2ccnc2)nc1 ZINC001505974531 1114313517 /nfs/dbraw/zinc/31/35/17/1114313517.db2.gz QNZIYHKAAHYJGF-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=CCN(CCc1ccccc1)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000062485959 214720016 /nfs/dbraw/zinc/72/00/16/214720016.db2.gz PCYYROZIFYJRPF-QGZVFWFLSA-N 1 2 331.460 2.147 20 30 EEEDLO CCc1nnc(C2CC[NH+](CC(=O)Nc3c(C)nn(C)c3C)CC2)[nH]1 ZINC000330102178 539787574 /nfs/dbraw/zinc/78/75/74/539787574.db2.gz FWZHLULEQUEGNP-UHFFFAOYSA-N 1 2 345.451 2.185 20 30 EEEDLO CCc1n[nH]c(C2CC[NH+](CC(=O)Nc3c(C)nn(C)c3C)CC2)n1 ZINC000330102178 539787579 /nfs/dbraw/zinc/78/75/79/539787579.db2.gz FWZHLULEQUEGNP-UHFFFAOYSA-N 1 2 345.451 2.185 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCc4ccccc4C3)C2=O)cc1 ZINC000077397512 283152763 /nfs/dbraw/zinc/15/27/63/283152763.db2.gz CRTWBFUWGAOBHV-SFHVURJKSA-N 1 2 331.375 2.248 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCc4ccccc4C3)C2=O)cc1 ZINC000077397512 283152766 /nfs/dbraw/zinc/15/27/66/283152766.db2.gz CRTWBFUWGAOBHV-SFHVURJKSA-N 1 2 331.375 2.248 20 30 EEEDLO CC(=O)N1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000027565448 202157698 /nfs/dbraw/zinc/15/76/98/202157698.db2.gz BHXHMUDDWCONHV-GFCCVEGCSA-N 1 2 348.834 2.093 20 30 EEEDLO CC(=O)N1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000027565448 202157701 /nfs/dbraw/zinc/15/77/01/202157701.db2.gz BHXHMUDDWCONHV-GFCCVEGCSA-N 1 2 348.834 2.093 20 30 EEEDLO C=C(C)C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000067132566 201159911 /nfs/dbraw/zinc/15/99/11/201159911.db2.gz UUVJPRWUMDYDKJ-UHFFFAOYSA-N 1 2 332.828 2.362 20 30 EEEDLO CC(C)CN1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1=O ZINC000426245830 241245909 /nfs/dbraw/zinc/24/59/09/241245909.db2.gz PBJPHINCDQOXGG-HNNXBMFYSA-N 1 2 342.443 2.076 20 30 EEEDLO CC(C)CN1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1=O ZINC000426245830 241245915 /nfs/dbraw/zinc/24/59/15/241245915.db2.gz PBJPHINCDQOXGG-HNNXBMFYSA-N 1 2 342.443 2.076 20 30 EEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455696639 244061144 /nfs/dbraw/zinc/06/11/44/244061144.db2.gz CQTSNUBISWVMRS-GFCCVEGCSA-N 1 2 336.823 2.248 20 30 EEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455696639 244061150 /nfs/dbraw/zinc/06/11/50/244061150.db2.gz CQTSNUBISWVMRS-GFCCVEGCSA-N 1 2 336.823 2.248 20 30 EEEDLO CCOCC[NH+]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000455623128 244042760 /nfs/dbraw/zinc/04/27/60/244042760.db2.gz RUNZWLPYZSRZDB-UHFFFAOYSA-N 1 2 343.471 2.308 20 30 EEEDLO C=CC1CCN(c2nc(NC)nc(N3CCC(C=C)CC3)[nH+]2)CC1 ZINC000467798240 245362313 /nfs/dbraw/zinc/36/23/13/245362313.db2.gz JORLREIXSQUWBM-UHFFFAOYSA-N 1 2 328.464 2.140 20 30 EEEDLO CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000128780194 205162202 /nfs/dbraw/zinc/16/22/02/205162202.db2.gz AXHPAMLQDLQXQU-KRWDZBQOSA-N 1 2 335.411 2.374 20 30 EEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(C#N)s2)CC1 ZINC000133746663 205376825 /nfs/dbraw/zinc/37/68/25/205376825.db2.gz OMENALFRKMPDEM-OAHLLOKOSA-N 1 2 346.500 2.138 20 30 EEEDLO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000133746663 205376827 /nfs/dbraw/zinc/37/68/27/205376827.db2.gz OMENALFRKMPDEM-OAHLLOKOSA-N 1 2 346.500 2.138 20 30 EEEDLO Cc1[nH+]c(-c2ccncc2)nc(NCCCc2[nH]nc(N)c2C#N)c1C ZINC000264914631 247039314 /nfs/dbraw/zinc/03/93/14/247039314.db2.gz GIEHJEFIFDCXAV-UHFFFAOYSA-N 1 2 348.414 2.377 20 30 EEEDLO CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000175022200 207085487 /nfs/dbraw/zinc/08/54/87/207085487.db2.gz VQDJJNSDEAWHKO-AWEZNQCLSA-N 1 2 332.423 2.075 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000268671631 252124470 /nfs/dbraw/zinc/12/44/70/252124470.db2.gz LYIWYYURCDQDET-IBGZPJMESA-N 1 2 340.427 2.014 20 30 EEEDLO CCCC[N@H+](Cc1cc(C#N)ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000178855709 255917253 /nfs/dbraw/zinc/91/72/53/255917253.db2.gz KUWDRAWMQFYZIM-MRXNPFEDSA-N 1 2 336.457 2.356 20 30 EEEDLO CCCC[N@@H+](Cc1cc(C#N)ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000178855709 255917255 /nfs/dbraw/zinc/91/72/55/255917255.db2.gz KUWDRAWMQFYZIM-MRXNPFEDSA-N 1 2 336.457 2.356 20 30 EEEDLO C#C[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000491794757 533325690 /nfs/dbraw/zinc/32/56/90/533325690.db2.gz SLDLENDDYALLQC-INIZCTEOSA-N 1 2 349.862 2.424 20 30 EEEDLO CC(C)OCC[NH+]1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000080488281 159142124 /nfs/dbraw/zinc/14/21/24/159142124.db2.gz ZGQOZLBJSSJKSP-UHFFFAOYSA-N 1 2 347.484 2.220 20 30 EEEDLO C[C@@H](c1nnnn1C1CC1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344116054 161199838 /nfs/dbraw/zinc/19/98/38/161199838.db2.gz AUVNDUUJUAXYJL-ZDUSSCGKSA-N 1 2 326.404 2.089 20 30 EEEDLO C[C@@H](c1nnnn1C1CC1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344116054 161199839 /nfs/dbraw/zinc/19/98/39/161199839.db2.gz AUVNDUUJUAXYJL-ZDUSSCGKSA-N 1 2 326.404 2.089 20 30 EEEDLO Cc1noc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000355326317 163147660 /nfs/dbraw/zinc/14/76/60/163147660.db2.gz TXTGNRDBZDFMAH-IAQYHMDHSA-N 1 2 325.372 2.096 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000375314232 167110283 /nfs/dbraw/zinc/11/02/83/167110283.db2.gz LGAYNMGKRWLYHM-KRWDZBQOSA-N 1 2 348.468 2.223 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000375314232 167110287 /nfs/dbraw/zinc/11/02/87/167110287.db2.gz LGAYNMGKRWLYHM-KRWDZBQOSA-N 1 2 348.468 2.223 20 30 EEEDLO CC(C)COC(=O)N1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000155929602 292549103 /nfs/dbraw/zinc/54/91/03/292549103.db2.gz QXKAUMJYWJKVTF-QGZVFWFLSA-N 1 2 331.416 2.002 20 30 EEEDLO C[C@H](O)CNc1cc(N2CC=C(c3ccc(C#N)cc3)CC2)nc[nH+]1 ZINC000413218889 269884112 /nfs/dbraw/zinc/88/41/12/269884112.db2.gz KDLDOGKNAYBHCE-AWEZNQCLSA-N 1 2 335.411 2.435 20 30 EEEDLO C[C@H](O)CNc1cc(N2CC=C(c3ccc(C#N)cc3)CC2)[nH+]cn1 ZINC000413218889 269884116 /nfs/dbraw/zinc/88/41/16/269884116.db2.gz KDLDOGKNAYBHCE-AWEZNQCLSA-N 1 2 335.411 2.435 20 30 EEEDLO CNc1cc(N2CCC[C@@H]2CNc2c(C#N)cccc2C#N)nc[nH+]1 ZINC000302415840 270018772 /nfs/dbraw/zinc/01/87/72/270018772.db2.gz HTQYLZFAKHOXAW-OAHLLOKOSA-N 1 2 333.399 2.343 20 30 EEEDLO CNc1cc(N2CCC[C@@H]2CNc2c(C#N)cccc2C#N)[nH+]cn1 ZINC000302415840 270018773 /nfs/dbraw/zinc/01/87/73/270018773.db2.gz HTQYLZFAKHOXAW-OAHLLOKOSA-N 1 2 333.399 2.343 20 30 EEEDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)Cc2ccccc2O1 ZINC000292453468 267047878 /nfs/dbraw/zinc/04/78/78/267047878.db2.gz PQCZEOBGZMXBQA-OAHLLOKOSA-N 1 2 335.407 2.458 20 30 EEEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)Cc2ccccc2O1 ZINC000292453468 267047881 /nfs/dbraw/zinc/04/78/81/267047881.db2.gz PQCZEOBGZMXBQA-OAHLLOKOSA-N 1 2 335.407 2.458 20 30 EEEDLO CC[C@H]1C[N@H+](CCNc2cc(C(F)(F)F)cnc2C#N)CCO1 ZINC000413276235 267230929 /nfs/dbraw/zinc/23/09/29/267230929.db2.gz YNLAJWXWDYYNIN-LBPRGKRZSA-N 1 2 328.338 2.495 20 30 EEEDLO CC[C@H]1C[N@@H+](CCNc2cc(C(F)(F)F)cnc2C#N)CCO1 ZINC000413276235 267230931 /nfs/dbraw/zinc/23/09/31/267230931.db2.gz YNLAJWXWDYYNIN-LBPRGKRZSA-N 1 2 328.338 2.495 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@](C)(O)C2)c1C#N ZINC000331414509 267292146 /nfs/dbraw/zinc/29/21/46/267292146.db2.gz CZRUGDPMKZNPDP-LJQANCHMSA-N 1 2 344.459 2.487 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@](C)(O)C2)c1C#N ZINC000331414509 267292147 /nfs/dbraw/zinc/29/21/47/267292147.db2.gz CZRUGDPMKZNPDP-LJQANCHMSA-N 1 2 344.459 2.487 20 30 EEEDLO Cc1cc(C#N)cc(NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c1 ZINC000333664287 267304398 /nfs/dbraw/zinc/30/43/98/267304398.db2.gz MPSFZEFQSQTYSA-INIZCTEOSA-N 1 2 338.415 2.121 20 30 EEEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(O)(C(F)F)CC3)o2)cc1 ZINC000331177459 268029305 /nfs/dbraw/zinc/02/93/05/268029305.db2.gz XQEMSXGNKVYKSK-UHFFFAOYSA-N 1 2 334.326 2.200 20 30 EEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291678520 268099859 /nfs/dbraw/zinc/09/98/59/268099859.db2.gz GUIBPHOYCZVGKJ-NSHDSACASA-N 1 2 343.761 2.100 20 30 EEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291678520 268099862 /nfs/dbraw/zinc/09/98/62/268099862.db2.gz GUIBPHOYCZVGKJ-NSHDSACASA-N 1 2 343.761 2.100 20 30 EEEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCN(C4CC4)C3=O)CC2)c(Cl)c1 ZINC000328601804 268119869 /nfs/dbraw/zinc/11/98/69/268119869.db2.gz GDPMQVIEGYGBRJ-KRWDZBQOSA-N 1 2 344.846 2.097 20 30 EEEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@@](O)(C(F)(F)F)C3)o2)c1 ZINC000332145250 268228686 /nfs/dbraw/zinc/22/86/86/268228686.db2.gz QTSMFMGJPJMQQH-AWEZNQCLSA-N 1 2 338.289 2.107 20 30 EEEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@@](O)(C(F)(F)F)C3)o2)c1 ZINC000332145250 268228688 /nfs/dbraw/zinc/22/86/88/268228688.db2.gz QTSMFMGJPJMQQH-AWEZNQCLSA-N 1 2 338.289 2.107 20 30 EEEDLO CN(C)[C@H](C(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1c[nH+]cn1C ZINC000557079662 318668167 /nfs/dbraw/zinc/66/81/67/318668167.db2.gz ANSHGBZWPANAQZ-WMZOPIPTSA-N 1 2 337.427 2.088 20 30 EEEDLO C[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1nc(C(C)(C)C)no1 ZINC000577063303 320228886 /nfs/dbraw/zinc/22/88/86/320228886.db2.gz ZQLSPJVZCCNWDZ-SNVBAGLBSA-N 1 2 325.376 2.132 20 30 EEEDLO CCN(C(=O)C[NH+]1CCN(c2cnccc2C#N)CC1)c1ccccc1 ZINC000579189195 323793544 /nfs/dbraw/zinc/79/35/44/323793544.db2.gz IYTWSRYDIDGDAT-UHFFFAOYSA-N 1 2 349.438 2.128 20 30 EEEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCCCC(F)(F)F)c1=O ZINC000581081951 324183449 /nfs/dbraw/zinc/18/34/49/324183449.db2.gz GNOCNBYUIUPSCI-UHFFFAOYSA-N 1 2 343.349 2.285 20 30 EEEDLO C#CCN(CC#CC)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000490933665 447910920 /nfs/dbraw/zinc/91/09/20/447910920.db2.gz FVLYDFUDHLSMET-UHFFFAOYSA-N 1 2 332.407 2.496 20 30 EEEDLO Cc1cc(C#N)nc(NCc2cc[nH+]c(N3CCSCC3)c2)n1 ZINC000601239783 449768765 /nfs/dbraw/zinc/76/87/65/449768765.db2.gz BQXZXOONOMLUCI-UHFFFAOYSA-N 1 2 326.429 2.217 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)Nc1nn(C)cc1C#N ZINC000610562001 450261257 /nfs/dbraw/zinc/26/12/57/450261257.db2.gz GZPMVPJRDPWDMI-UHFFFAOYSA-N 1 2 337.387 2.162 20 30 EEEDLO C=CCOCC[N@@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000339058717 465057798 /nfs/dbraw/zinc/05/77/98/465057798.db2.gz FIIUYPLPPAAIQR-AWEZNQCLSA-N 1 2 328.334 2.381 20 30 EEEDLO C=CCOCC[N@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000339058717 465057805 /nfs/dbraw/zinc/05/78/05/465057805.db2.gz FIIUYPLPPAAIQR-AWEZNQCLSA-N 1 2 328.334 2.381 20 30 EEEDLO CC(=O)NCC1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000328621067 465075115 /nfs/dbraw/zinc/07/51/15/465075115.db2.gz XISOCFAJJYZREJ-HNNXBMFYSA-N 1 2 333.436 2.363 20 30 EEEDLO O=C(N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(=O)CC1)C1CCCCC1 ZINC000328749945 465118393 /nfs/dbraw/zinc/11/83/93/465118393.db2.gz BSJMSKZGLXGUNE-MRXNPFEDSA-N 1 2 346.431 2.049 20 30 EEEDLO O=C(N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(=O)CC1)C1CCCCC1 ZINC000328749945 465118401 /nfs/dbraw/zinc/11/84/01/465118401.db2.gz BSJMSKZGLXGUNE-MRXNPFEDSA-N 1 2 346.431 2.049 20 30 EEEDLO C[C@@H]1CN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CCO1 ZINC000328802522 465133641 /nfs/dbraw/zinc/13/36/41/465133641.db2.gz ZZPBQOYRVHGCAI-CZUORRHYSA-N 1 2 348.447 2.105 20 30 EEEDLO C[C@@H]1CN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CCO1 ZINC000328802522 465133647 /nfs/dbraw/zinc/13/36/47/465133647.db2.gz ZZPBQOYRVHGCAI-CZUORRHYSA-N 1 2 348.447 2.105 20 30 EEEDLO CC[C@@H](C(=O)N(C)Cc1cccc(C#N)c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339245157 465161906 /nfs/dbraw/zinc/16/19/06/465161906.db2.gz GYKBRPQKCPRLFR-MSOLQXFVSA-N 1 2 329.444 2.406 20 30 EEEDLO CC[C@@H](C(=O)N(C)Cc1cccc(C#N)c1)[N@H+]1CCO[C@H](CC)C1 ZINC000339245157 465161910 /nfs/dbraw/zinc/16/19/10/465161910.db2.gz GYKBRPQKCPRLFR-MSOLQXFVSA-N 1 2 329.444 2.406 20 30 EEEDLO O=C(Nc1scnc1C1CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000328912593 465165633 /nfs/dbraw/zinc/16/56/33/465165633.db2.gz HJBGBKLZNGGXBT-CYBMUJFWSA-N 1 2 336.461 2.363 20 30 EEEDLO C[C@@H](C(=O)N(C)CC(=O)NCc1cccs1)[NH+]1CCSCC1 ZINC000328998664 465197334 /nfs/dbraw/zinc/19/73/34/465197334.db2.gz VDDWJULEKGDEQF-LBPRGKRZSA-N 1 2 341.502 2.100 20 30 EEEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)n1 ZINC000329071626 465223459 /nfs/dbraw/zinc/22/34/59/465223459.db2.gz ZATULLDWHCSPCH-NSHDSACASA-N 1 2 330.344 2.184 20 30 EEEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)n1 ZINC000329071626 465223466 /nfs/dbraw/zinc/22/34/66/465223466.db2.gz ZATULLDWHCSPCH-NSHDSACASA-N 1 2 330.344 2.184 20 30 EEEDLO O=C(Nc1ccc2c(c1F)CCNC2=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000329121301 465239917 /nfs/dbraw/zinc/23/99/17/465239917.db2.gz KMEVOXQUFRXBJL-SNVBAGLBSA-N 1 2 343.362 2.224 20 30 EEEDLO C=CC[N@@H+](CC(=O)N(CC)CC(=O)NC(C)C)Cc1ccccc1 ZINC000355373568 465244389 /nfs/dbraw/zinc/24/43/89/465244389.db2.gz UEEWRCYPXWIMRO-UHFFFAOYSA-N 1 2 331.460 2.048 20 30 EEEDLO C=CC[N@H+](CC(=O)N(CC)CC(=O)NC(C)C)Cc1ccccc1 ZINC000355373568 465244395 /nfs/dbraw/zinc/24/43/95/465244395.db2.gz UEEWRCYPXWIMRO-UHFFFAOYSA-N 1 2 331.460 2.048 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)nc2)C1=O ZINC000337233081 465257575 /nfs/dbraw/zinc/25/75/75/465257575.db2.gz WCDPASQKDKMLQO-CYBMUJFWSA-N 1 2 343.349 2.241 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)nc2)C1=O ZINC000337233081 465257584 /nfs/dbraw/zinc/25/75/84/465257584.db2.gz WCDPASQKDKMLQO-CYBMUJFWSA-N 1 2 343.349 2.241 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000342006230 465285182 /nfs/dbraw/zinc/28/51/82/465285182.db2.gz CEZGXZJVFVUAIY-CQSZACIVSA-N 1 2 326.400 2.137 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1C#N ZINC000329456707 465340130 /nfs/dbraw/zinc/34/01/30/465340130.db2.gz MYRKDCLVCPIGNB-SMDDNHRTSA-N 1 2 346.456 2.080 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351817184 465378945 /nfs/dbraw/zinc/37/89/45/465378945.db2.gz VMDNGNWBCQEOMJ-IPYPFGDCSA-N 1 2 333.457 2.189 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351817184 465378950 /nfs/dbraw/zinc/37/89/50/465378950.db2.gz VMDNGNWBCQEOMJ-IPYPFGDCSA-N 1 2 333.457 2.189 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H](O)C1 ZINC000114486140 462654634 /nfs/dbraw/zinc/65/46/34/462654634.db2.gz BDQAYHIGNWGZIA-NWDGAFQWSA-N 1 2 333.457 2.282 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@H](O)C1 ZINC000114486140 462654637 /nfs/dbraw/zinc/65/46/37/462654637.db2.gz BDQAYHIGNWGZIA-NWDGAFQWSA-N 1 2 333.457 2.282 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2oc3ccccc3c2COC)CC1 ZINC000064443551 462703398 /nfs/dbraw/zinc/70/33/98/462703398.db2.gz POVPQJLMCXVWLI-UHFFFAOYSA-N 1 2 326.396 2.360 20 30 EEEDLO CC#CCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000155042318 462840040 /nfs/dbraw/zinc/84/00/40/462840040.db2.gz HHUYKAZHZNXINC-UHFFFAOYSA-N 1 2 344.839 2.199 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000066425466 462889117 /nfs/dbraw/zinc/88/91/17/462889117.db2.gz BOXXNQICSLLASC-CQSZACIVSA-N 1 2 349.862 2.179 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000066425466 462889122 /nfs/dbraw/zinc/88/91/22/462889122.db2.gz BOXXNQICSLLASC-CQSZACIVSA-N 1 2 349.862 2.179 20 30 EEEDLO C=CC[N@H+](Cc1ccccc1F)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000066483612 462896127 /nfs/dbraw/zinc/89/61/27/462896127.db2.gz MEIDZOMZHRPTQU-SOLBZPMBSA-N 1 2 336.451 2.284 20 30 EEEDLO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000066483612 462896129 /nfs/dbraw/zinc/89/61/29/462896129.db2.gz MEIDZOMZHRPTQU-SOLBZPMBSA-N 1 2 336.451 2.284 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000077390882 462977975 /nfs/dbraw/zinc/97/79/75/462977975.db2.gz ZNQVTCLOLRHTGP-UHFFFAOYSA-N 1 2 340.408 2.301 20 30 EEEDLO Cc1oc(NC(=O)CN2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C#N)c1C ZINC000156320571 463007896 /nfs/dbraw/zinc/00/78/96/463007896.db2.gz CPGDLGSIOPJVSH-OAHLLOKOSA-N 1 2 340.383 2.255 20 30 EEEDLO COc1ccccc1C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000052182926 463067032 /nfs/dbraw/zinc/06/70/32/463067032.db2.gz WBVCYWXZONSRBC-LJQANCHMSA-N 1 2 327.428 2.468 20 30 EEEDLO COc1ccccc1C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000052182926 463067035 /nfs/dbraw/zinc/06/70/35/463067035.db2.gz WBVCYWXZONSRBC-LJQANCHMSA-N 1 2 327.428 2.468 20 30 EEEDLO CCC[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)CCN1CCOC ZINC000121702911 463180858 /nfs/dbraw/zinc/18/08/58/463180858.db2.gz HFWSTLYXLAAZLW-GOSISDBHSA-N 1 2 331.460 2.370 20 30 EEEDLO CCC[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCN1CCOC ZINC000121702911 463180864 /nfs/dbraw/zinc/18/08/64/463180864.db2.gz HFWSTLYXLAAZLW-GOSISDBHSA-N 1 2 331.460 2.370 20 30 EEEDLO CCN(CC)C(=O)[C@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029859702 463276741 /nfs/dbraw/zinc/27/67/41/463276741.db2.gz NKTLLFUKAJVDFX-AWEZNQCLSA-N 1 2 332.423 2.076 20 30 EEEDLO N#Cc1ccc(CCC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000031910148 463357826 /nfs/dbraw/zinc/35/78/26/463357826.db2.gz GAENDVBMUSVVET-UHFFFAOYSA-N 1 2 331.379 2.388 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000097379701 463357996 /nfs/dbraw/zinc/35/79/96/463357996.db2.gz XJRDJOSEDCDHOU-UHFFFAOYSA-N 1 2 341.371 2.394 20 30 EEEDLO N#CC1CCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000144031817 463373374 /nfs/dbraw/zinc/37/33/74/463373374.db2.gz AHGIWPNNIHPYKF-GOSISDBHSA-N 1 2 342.443 2.005 20 30 EEEDLO Cc1ccc([C@H](CNC(=O)N(C)C[C@H](C)C#N)[NH+]2CCOCC2)cc1 ZINC000057011800 463442982 /nfs/dbraw/zinc/44/29/82/463442982.db2.gz LCUMKTVEZOIFND-AEFFLSMTSA-N 1 2 344.459 2.169 20 30 EEEDLO Cc1ccsc1CNC(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000151901451 463609689 /nfs/dbraw/zinc/60/96/89/463609689.db2.gz WTFRHJCNEVSEKZ-LBPRGKRZSA-N 1 2 327.450 2.023 20 30 EEEDLO N#Cc1cccc(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000043329613 463636833 /nfs/dbraw/zinc/63/68/33/463636833.db2.gz XHQLCBWYUIDALL-UHFFFAOYSA-N 1 2 337.383 2.112 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[N@@H+]2CCOCC2(C)C)cc1OC ZINC000170861040 463724961 /nfs/dbraw/zinc/72/49/61/463724961.db2.gz SVLISGUOFYCRJB-UHFFFAOYSA-N 1 2 348.443 2.101 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[N@H+]2CCOCC2(C)C)cc1OC ZINC000170861040 463724970 /nfs/dbraw/zinc/72/49/70/463724970.db2.gz SVLISGUOFYCRJB-UHFFFAOYSA-N 1 2 348.443 2.101 20 30 EEEDLO CC(C)N(CCC#N)C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000522762145 468374864 /nfs/dbraw/zinc/37/48/64/468374864.db2.gz SLNGHBJJTOMMFS-INIZCTEOSA-N 1 2 346.450 2.487 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C(=O)OC)C2)cc1OC ZINC000283147975 463780553 /nfs/dbraw/zinc/78/05/53/463780553.db2.gz XIRSDYTWIIOARV-CXAGYDPISA-N 1 2 335.400 2.022 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C(=O)OC)C2)cc1OC ZINC000283147975 463780557 /nfs/dbraw/zinc/78/05/57/463780557.db2.gz XIRSDYTWIIOARV-CXAGYDPISA-N 1 2 335.400 2.022 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)c1 ZINC000283623002 463947375 /nfs/dbraw/zinc/94/73/75/463947375.db2.gz RSFGJJYUSYVEHT-UHFFFAOYSA-N 1 2 341.346 2.323 20 30 EEEDLO C=CCSCCNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000172202416 464015567 /nfs/dbraw/zinc/01/55/67/464015567.db2.gz SKZIYQGRJAPEIL-HNNXBMFYSA-N 1 2 334.489 2.389 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C)CC1 ZINC000283815387 464020500 /nfs/dbraw/zinc/02/05/00/464020500.db2.gz PGGNYIAUKVPNNU-UHFFFAOYSA-N 1 2 333.798 2.030 20 30 EEEDLO CCc1cc(N)nc(S[C@H]2CCN(c3sccc3C#N)C2=O)[nH+]1 ZINC000279072914 464032755 /nfs/dbraw/zinc/03/27/55/464032755.db2.gz KOCHCTPTYVAVOX-NSHDSACASA-N 1 2 345.453 2.452 20 30 EEEDLO CC(C)C[C@@H](NC(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1ccccc1 ZINC000284020052 464071743 /nfs/dbraw/zinc/07/17/43/464071743.db2.gz IBTYXQWDYIJSQC-HZPDHXFCSA-N 1 2 333.432 2.358 20 30 EEEDLO C[C@@H](NC(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1ccc2ccccc2c1 ZINC000284036662 464073330 /nfs/dbraw/zinc/07/33/30/464073330.db2.gz ITBDVGTWZCIIED-CXAGYDPISA-N 1 2 341.411 2.485 20 30 EEEDLO COc1cccc(OCCO[NH+]=C(N)c2ccc(OC)c(OC)c2)c1 ZINC000269865338 464116051 /nfs/dbraw/zinc/11/60/51/464116051.db2.gz SMNWEPBRUWZVSP-UHFFFAOYSA-N 1 2 346.383 2.428 20 30 EEEDLO C#Cc1ccccc1CC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000290866879 464135420 /nfs/dbraw/zinc/13/54/20/464135420.db2.gz ALYWCDXEHITFEX-UHFFFAOYSA-N 1 2 335.407 2.389 20 30 EEEDLO CC(C)(C#N)c1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000280149793 464191708 /nfs/dbraw/zinc/19/17/08/464191708.db2.gz NQLLUPIENGNBHR-GOSISDBHSA-N 1 2 341.455 2.425 20 30 EEEDLO C=CCCN(C)C(=O)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000284443195 464194145 /nfs/dbraw/zinc/19/41/45/464194145.db2.gz LVKUBHUQQDPMGL-UHFFFAOYSA-N 1 2 344.459 2.113 20 30 EEEDLO 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/nfs/dbraw/zinc/23/18/63/467231863.db2.gz SNOALKLGNYAAQK-UHFFFAOYSA-N 1 2 344.440 2.045 20 30 EEEDLO C=C[C@@H](CO)[NH2+]Cc1c(Br)cncc1Br ZINC000419709542 467239016 /nfs/dbraw/zinc/23/90/16/467239016.db2.gz PBCOJDAWQZKERR-ZETCQYMHSA-N 1 2 336.027 2.243 20 30 EEEDLO N#CCCn1cc(CNc2cccc(CO)[nH+]2)c(-c2ccncc2)n1 ZINC000432730606 467260567 /nfs/dbraw/zinc/26/05/67/467260567.db2.gz LVSUEONRBYTUKX-UHFFFAOYSA-N 1 2 334.383 2.358 20 30 EEEDLO CCN1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433115320 467294784 /nfs/dbraw/zinc/29/47/84/467294784.db2.gz PCVSXOPSGDWCPJ-QGZVFWFLSA-N 1 2 349.438 2.218 20 30 EEEDLO C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+](C)CC(C)(C)C#N ZINC000433322314 467317831 /nfs/dbraw/zinc/31/78/31/467317831.db2.gz ZVTNLIFHVZIJJQ-LSDHHAIUSA-N 1 2 345.443 2.155 20 30 EEEDLO C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@@H+](C)CC(C)(C)C#N ZINC000433322314 467317832 /nfs/dbraw/zinc/31/78/32/467317832.db2.gz ZVTNLIFHVZIJJQ-LSDHHAIUSA-N 1 2 345.443 2.155 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+]C(C)(C)c1noc(C)n1 ZINC000440020427 467569018 /nfs/dbraw/zinc/56/90/18/467569018.db2.gz HDMVRKNYBRAGOT-OAHLLOKOSA-N 1 2 331.416 2.371 20 30 EEEDLO CCOc1ccc2c(c1)CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000441088929 467571593 /nfs/dbraw/zinc/57/15/93/467571593.db2.gz JXPYVEYQMLCZSR-IBGZPJMESA-N 1 2 329.444 2.498 20 30 EEEDLO CCOc1ccc2c(c1)CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000441088929 467571595 /nfs/dbraw/zinc/57/15/95/467571595.db2.gz JXPYVEYQMLCZSR-IBGZPJMESA-N 1 2 329.444 2.498 20 30 EEEDLO CC[C@H](CC(F)(F)F)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000448835851 467603448 /nfs/dbraw/zinc/60/34/48/467603448.db2.gz MRKCIXGOPMJMAX-CYBMUJFWSA-N 1 2 335.370 2.039 20 30 EEEDLO CN(CC(C)(C)C#N)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000457537290 467645369 /nfs/dbraw/zinc/64/53/69/467645369.db2.gz VTFHPPCZBICPRS-QGZVFWFLSA-N 1 2 344.459 2.251 20 30 EEEDLO C#CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)C(=O)OC ZINC000496561878 467650023 /nfs/dbraw/zinc/65/00/23/467650023.db2.gz AASQJNGTGFGFLZ-KKUMJFAQSA-N 1 2 338.448 2.177 20 30 EEEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000455409684 467676600 /nfs/dbraw/zinc/67/66/00/467676600.db2.gz YUFDKQLNRNXVOA-UHFFFAOYSA-N 1 2 343.471 2.354 20 30 EEEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000455409684 467676602 /nfs/dbraw/zinc/67/66/02/467676602.db2.gz YUFDKQLNRNXVOA-UHFFFAOYSA-N 1 2 343.471 2.354 20 30 EEEDLO CC(C)(C)OC(=O)NCCC1CC[NH+](Cc2ncc(C#N)cn2)CC1 ZINC000496727469 467700038 /nfs/dbraw/zinc/70/00/38/467700038.db2.gz YTRHLDULHLLMEU-UHFFFAOYSA-N 1 2 345.447 2.475 20 30 EEEDLO C[C@H]1C[C@]1(C#N)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000450045560 467767694 /nfs/dbraw/zinc/76/76/94/467767694.db2.gz QPQMFRJHCNKQCK-ZOMKSWQUSA-N 1 2 333.457 2.176 20 30 EEEDLO C[C@H]1C[C@]1(C#N)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000450045560 467767697 /nfs/dbraw/zinc/76/76/97/467767697.db2.gz QPQMFRJHCNKQCK-ZOMKSWQUSA-N 1 2 333.457 2.176 20 30 EEEDLO N#Cc1cccc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c1[N+](=O)[O-] ZINC000450268729 467814116 /nfs/dbraw/zinc/81/41/16/467814116.db2.gz ILIWTUYUCWWDNJ-INIZCTEOSA-N 1 2 348.428 2.086 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1ccccc1Br ZINC000493163146 467853210 /nfs/dbraw/zinc/85/32/10/467853210.db2.gz UJLAWDAOZUJAHN-CDNLZTBQSA-N 1 2 336.233 2.422 20 30 EEEDLO N#CC[C@@H](O)CSc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000450880777 467925284 /nfs/dbraw/zinc/92/52/84/467925284.db2.gz LBRGMDNMMJUNFJ-CYBMUJFWSA-N 1 2 325.397 2.241 20 30 EEEDLO Cc1cccc([C@H](CNC(=O)NCC(C)(C)C#N)[NH+]2CCOCC2)c1 ZINC000479310308 468000080 /nfs/dbraw/zinc/00/00/80/468000080.db2.gz QDYQTYNXKWIEBL-KRWDZBQOSA-N 1 2 344.459 2.217 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000495560370 468096137 /nfs/dbraw/zinc/09/61/37/468096137.db2.gz PZQFVTRXZOZZPB-QGZVFWFLSA-N 1 2 345.443 2.478 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000495560370 468096138 /nfs/dbraw/zinc/09/61/38/468096138.db2.gz PZQFVTRXZOZZPB-QGZVFWFLSA-N 1 2 345.443 2.478 20 30 EEEDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000495642014 468099038 /nfs/dbraw/zinc/09/90/38/468099038.db2.gz RPISQJKZAWAFLI-AWEZNQCLSA-N 1 2 345.399 2.055 20 30 EEEDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000495642014 468099040 /nfs/dbraw/zinc/09/90/40/468099040.db2.gz RPISQJKZAWAFLI-AWEZNQCLSA-N 1 2 345.399 2.055 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)C1=O ZINC000532212989 468103917 /nfs/dbraw/zinc/10/39/17/468103917.db2.gz KDFGTJLSVPBSJX-HHARLNAUSA-N 1 2 335.492 2.035 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)C1=O ZINC000532212989 468103920 /nfs/dbraw/zinc/10/39/20/468103920.db2.gz KDFGTJLSVPBSJX-HHARLNAUSA-N 1 2 335.492 2.035 20 30 EEEDLO Cc1noc(C)c1-c1nc(C)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)s1 ZINC000566309819 468150229 /nfs/dbraw/zinc/15/02/29/468150229.db2.gz UBDQRMQNPFVHOE-INIZCTEOSA-N 1 2 347.444 2.297 20 30 EEEDLO CC(C)COc1cccc(OCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000576758640 468172227 /nfs/dbraw/zinc/17/22/27/468172227.db2.gz BAFUTZKKGCGDIG-SFHVURJKSA-N 1 2 333.432 2.060 20 30 EEEDLO C[C@H](C#N)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000578269050 468200249 /nfs/dbraw/zinc/20/02/49/468200249.db2.gz RDUXAIHFXRZUQM-MRVPVSSYSA-N 1 2 345.140 2.449 20 30 EEEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ncc(C#N)cn1 ZINC000496416316 468233326 /nfs/dbraw/zinc/23/33/26/468233326.db2.gz NSIJALZODIVLHY-GXTWGEPZSA-N 1 2 331.420 2.226 20 30 EEEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ncc(C#N)cn1 ZINC000496416316 468233331 /nfs/dbraw/zinc/23/33/31/468233331.db2.gz NSIJALZODIVLHY-GXTWGEPZSA-N 1 2 331.420 2.226 20 30 EEEDLO C#CC[N@@H+](Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1)C1CCCCC1 ZINC000490899989 468264820 /nfs/dbraw/zinc/26/48/20/468264820.db2.gz SGWYLMNMEGRBKR-GOSISDBHSA-N 1 2 349.500 2.185 20 30 EEEDLO C#CC[N@H+](Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1)C1CCCCC1 ZINC000490899989 468264825 /nfs/dbraw/zinc/26/48/25/468264825.db2.gz SGWYLMNMEGRBKR-GOSISDBHSA-N 1 2 349.500 2.185 20 30 EEEDLO Cc1cccc2[nH+]c(CCNc3nc4c(cc3C#N)COCC4)cn21 ZINC000592006275 468595280 /nfs/dbraw/zinc/59/52/80/468595280.db2.gz LJXDTIHKKMXDLG-UHFFFAOYSA-N 1 2 333.395 2.637 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000592149859 468639352 /nfs/dbraw/zinc/63/93/52/468639352.db2.gz YINFXKXEHSFMLF-PMACEKPBSA-N 1 2 341.455 2.385 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000592149859 468639354 /nfs/dbraw/zinc/63/93/54/468639354.db2.gz YINFXKXEHSFMLF-PMACEKPBSA-N 1 2 341.455 2.385 20 30 EEEDLO CN(Cc1c[nH+]c[nH]1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000597860609 468697185 /nfs/dbraw/zinc/69/71/85/468697185.db2.gz AJBZSUAAZIILKB-UHFFFAOYSA-N 1 2 339.399 2.095 20 30 EEEDLO CN(Cc1c[nH]c[nH+]1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000597860609 468697187 /nfs/dbraw/zinc/69/71/87/468697187.db2.gz AJBZSUAAZIILKB-UHFFFAOYSA-N 1 2 339.399 2.095 20 30 EEEDLO Cc1nnc([C@H]2CC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000583551330 468714835 /nfs/dbraw/zinc/71/48/35/468714835.db2.gz CXXHIJRXUZBREH-LBPRGKRZSA-N 1 2 344.806 2.066 20 30 EEEDLO Cc1nnc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000583551330 468714837 /nfs/dbraw/zinc/71/48/37/468714837.db2.gz CXXHIJRXUZBREH-LBPRGKRZSA-N 1 2 344.806 2.066 20 30 EEEDLO Cc1n[nH]c([C@H]2CC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000583551330 468714839 /nfs/dbraw/zinc/71/48/39/468714839.db2.gz CXXHIJRXUZBREH-LBPRGKRZSA-N 1 2 344.806 2.066 20 30 EEEDLO Cc1n[nH]c([C@H]2CC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000583551330 468714841 /nfs/dbraw/zinc/71/48/41/468714841.db2.gz CXXHIJRXUZBREH-LBPRGKRZSA-N 1 2 344.806 2.066 20 30 EEEDLO N#CCc1ccccc1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000601282851 468810402 /nfs/dbraw/zinc/81/04/02/468810402.db2.gz GPAZOMJSZMHDKP-UHFFFAOYSA-N 1 2 335.407 2.416 20 30 EEEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)CCCn3cc[nH+]c3)n2)c1 ZINC000610872475 469098103 /nfs/dbraw/zinc/09/81/03/469098103.db2.gz VPWVPYISSREANS-UHFFFAOYSA-N 1 2 334.383 2.241 20 30 EEEDLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611175229 469181817 /nfs/dbraw/zinc/18/18/17/469181817.db2.gz YSLXZDKDCHASSJ-OAHLLOKOSA-N 1 2 348.878 2.391 20 30 EEEDLO CC(C)[C@@H](NC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccccc1 ZINC000611175775 469182417 /nfs/dbraw/zinc/18/24/17/469182417.db2.gz RFZWJMYLWZDRBS-LJQANCHMSA-N 1 2 328.460 2.031 20 30 EEEDLO C[N@@H+](Cc1nccn1C(F)F)C[C@H](O)COc1ccccc1C#N ZINC000599268073 469184197 /nfs/dbraw/zinc/18/41/97/469184197.db2.gz XTKQLHGHOLZIPM-ZDUSSCGKSA-N 1 2 336.342 2.022 20 30 EEEDLO C[N@H+](Cc1nccn1C(F)F)C[C@H](O)COc1ccccc1C#N ZINC000599268073 469184204 /nfs/dbraw/zinc/18/42/04/469184204.db2.gz XTKQLHGHOLZIPM-ZDUSSCGKSA-N 1 2 336.342 2.022 20 30 EEEDLO Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)c(C#N)c(N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000589101594 469194570 /nfs/dbraw/zinc/19/45/70/469194570.db2.gz ABWLCKBFFPQXAO-GEEKYZPCSA-N 1 2 344.459 2.489 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000599336405 469217301 /nfs/dbraw/zinc/21/73/01/469217301.db2.gz JSEKROAXHSELNX-MSOLQXFVSA-N 1 2 332.492 2.086 20 30 EEEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000563366584 469237907 /nfs/dbraw/zinc/23/79/07/469237907.db2.gz JFVKHDDALRXMIU-YPMHNXCESA-N 1 2 332.404 2.262 20 30 EEEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)n2)c1 ZINC000615770113 469311525 /nfs/dbraw/zinc/31/15/25/469311525.db2.gz ZVBKMHYGSPMSML-HNNXBMFYSA-N 1 2 346.394 2.024 20 30 EEEDLO CO[C@H]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000596657539 469324600 /nfs/dbraw/zinc/32/46/00/469324600.db2.gz RUQXJZAVUVOFFE-MSOLQXFVSA-N 1 2 327.428 2.018 20 30 EEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000619717153 469668742 /nfs/dbraw/zinc/66/87/42/469668742.db2.gz BYVZNVNWJDPLTN-AWEZNQCLSA-N 1 2 328.372 2.039 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000619719459 469669715 /nfs/dbraw/zinc/66/97/15/469669715.db2.gz AGOVTJPCLPMSKA-SUMWQHHRSA-N 1 2 334.416 2.308 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000619719459 469669719 /nfs/dbraw/zinc/66/97/19/469669719.db2.gz AGOVTJPCLPMSKA-SUMWQHHRSA-N 1 2 334.416 2.308 20 30 EEEDLO CCN(C(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1)c1ccccc1 ZINC000609487107 469933278 /nfs/dbraw/zinc/93/32/78/469933278.db2.gz WTFRYWBSZYYXAF-SFHVURJKSA-N 1 2 328.460 2.205 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(C)c(Br)cn2)C1=O ZINC000628259168 470082123 /nfs/dbraw/zinc/08/21/23/470082123.db2.gz JKSIARPSJBHLNR-AWEZNQCLSA-N 1 2 338.249 2.371 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(C)c(Br)cn2)C1=O ZINC000628259168 470082120 /nfs/dbraw/zinc/08/21/20/470082120.db2.gz JKSIARPSJBHLNR-AWEZNQCLSA-N 1 2 338.249 2.371 20 30 EEEDLO C=CCC(CC=C)C(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000646321059 470605145 /nfs/dbraw/zinc/60/51/45/470605145.db2.gz BQTDIOFFXCAOLM-QGZVFWFLSA-N 1 2 338.517 2.421 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ccc(Cl)cc2)nn1 ZINC000640824727 471048901 /nfs/dbraw/zinc/04/89/01/471048901.db2.gz ZWPBXHDIQCBURV-LBPRGKRZSA-N 1 2 331.807 2.244 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2nc(-c3ccc(Cl)cc3)no2)nn1 ZINC000640857105 471072179 /nfs/dbraw/zinc/07/21/79/471072179.db2.gz CZSUMKQXVCNAQU-UHFFFAOYSA-N 1 2 342.790 2.143 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)nn1 ZINC000657445578 471140189 /nfs/dbraw/zinc/14/01/89/471140189.db2.gz CCJXSNJQBQGXFG-GOSISDBHSA-N 1 2 339.443 2.053 20 30 EEEDLO C=C(C)Cn1c(Nc2c(C)n[nH]c2C)nnc1[C@@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000669350996 471465097 /nfs/dbraw/zinc/46/50/97/471465097.db2.gz WRHMAYZPUFLTMT-RISCZKNCSA-N 1 2 345.451 2.329 20 30 EEEDLO C=C(C)Cn1c(Nc2c(C)n[nH]c2C)nnc1[C@@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000669350996 471465104 /nfs/dbraw/zinc/46/51/04/471465104.db2.gz WRHMAYZPUFLTMT-RISCZKNCSA-N 1 2 345.451 2.329 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1ccc(Br)cn1)[C@H](C)COC ZINC000661243637 471686896 /nfs/dbraw/zinc/68/68/96/471686896.db2.gz LJBZNWWANOMBHO-LLVKDONJSA-N 1 2 342.237 2.306 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Br)cn1)[C@H](C)COC ZINC000661243637 471686903 /nfs/dbraw/zinc/68/69/03/471686903.db2.gz LJBZNWWANOMBHO-LLVKDONJSA-N 1 2 342.237 2.306 20 30 EEEDLO C=CCOc1cccc(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000665847745 472212537 /nfs/dbraw/zinc/21/25/37/472212537.db2.gz BCFOHRPHRPKZKT-LSDHHAIUSA-N 1 2 333.432 2.482 20 30 EEEDLO C=CCOc1cccc(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000665847745 472212542 /nfs/dbraw/zinc/21/25/42/472212542.db2.gz BCFOHRPHRPKZKT-LSDHHAIUSA-N 1 2 333.432 2.482 20 30 EEEDLO Cc1noc(C2(C)CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)n1 ZINC000374754688 534383822 /nfs/dbraw/zinc/38/38/22/534383822.db2.gz OPLHOSNGFIYRDD-UHFFFAOYSA-N 1 2 345.447 2.074 20 30 EEEDLO O=C(NCCn1cc[nH+]c1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000111770734 534520439 /nfs/dbraw/zinc/52/04/39/534520439.db2.gz XWWHEJGWBFNIGJ-UHFFFAOYSA-N 1 2 331.379 2.500 20 30 EEEDLO N#CCSCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000109582458 534708716 /nfs/dbraw/zinc/70/87/16/534708716.db2.gz ISOJWBPCWNBDQU-UHFFFAOYSA-N 1 2 330.413 2.326 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)O[C@H]2CCCc3ccccc3C2=O)CC1 ZINC000772113024 577252185 /nfs/dbraw/zinc/25/21/85/577252185.db2.gz IAQJRMWJKUJKBQ-SFHVURJKSA-N 1 2 325.408 2.463 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc(Cl)s2)CC1 ZINC000772119018 577252678 /nfs/dbraw/zinc/25/26/78/577252678.db2.gz AKVBROZZYLSIQI-UHFFFAOYSA-N 1 2 325.817 2.473 20 30 EEEDLO C#C[C@H]([NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1)[C@@H]1CCCO1 ZINC000775342941 577435498 /nfs/dbraw/zinc/43/54/98/577435498.db2.gz UELCIDVHMLQTKA-HOTGVXAUSA-N 1 2 334.782 2.330 20 30 EEEDLO COC(=O)c1ccccc1N[NH+]=Cc1cnc(N2CCCC2)nc1 ZINC000776189724 577454203 /nfs/dbraw/zinc/45/42/03/577454203.db2.gz QGPAHGLUUIJZLT-UHFFFAOYSA-N 1 2 325.372 2.309 20 30 EEEDLO COC(=O)c1ccc2c(c1)C(=O)N(C[N@H+](C)Cc1cccc(C#N)c1)C2 ZINC000776757620 577467221 /nfs/dbraw/zinc/46/72/21/577467221.db2.gz UJMXEIMUMWQOSV-UHFFFAOYSA-N 1 2 349.390 2.390 20 30 EEEDLO COC(=O)c1ccc2c(c1)C(=O)N(C[N@@H+](C)Cc1cccc(C#N)c1)C2 ZINC000776757620 577467222 /nfs/dbraw/zinc/46/72/22/577467222.db2.gz UJMXEIMUMWQOSV-UHFFFAOYSA-N 1 2 349.390 2.390 20 30 EEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000769952776 577587843 /nfs/dbraw/zinc/58/78/43/577587843.db2.gz FTHVNIRIYVLXOK-HRCADAONSA-N 1 2 329.444 2.192 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000769952776 577587844 /nfs/dbraw/zinc/58/78/44/577587844.db2.gz FTHVNIRIYVLXOK-HRCADAONSA-N 1 2 329.444 2.192 20 30 EEEDLO Cc1ccn(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c(=O)c1C#N ZINC000758249011 577620141 /nfs/dbraw/zinc/62/01/41/577620141.db2.gz NNWGVAIMZUFVFY-MRXNPFEDSA-N 1 2 327.359 2.278 20 30 EEEDLO Cc1ccn(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c(=O)c1C#N ZINC000758249011 577620142 /nfs/dbraw/zinc/62/01/42/577620142.db2.gz NNWGVAIMZUFVFY-MRXNPFEDSA-N 1 2 327.359 2.278 20 30 EEEDLO C#CCCCCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000758680226 577629499 /nfs/dbraw/zinc/62/94/99/577629499.db2.gz AOCKWPMHRLTCSR-LJQANCHMSA-N 1 2 343.471 2.471 20 30 EEEDLO Cc1cc(C)nc(N=NCc2c(-n3cc[nH+]c3)nc3ccccn32)n1 ZINC000755454010 577825375 /nfs/dbraw/zinc/82/53/75/577825375.db2.gz DHGRKGVBIQLXBT-UHFFFAOYSA-N 1 2 332.371 2.373 20 30 EEEDLO CCNc1nc(N=NCc2c[nH+]c3ccc(C)cn23)nc(NCC)n1 ZINC000755512511 577825998 /nfs/dbraw/zinc/82/59/98/577825998.db2.gz OBQRSPAWYNBTKJ-UHFFFAOYSA-N 1 2 339.407 2.137 20 30 EEEDLO NC(=[NH+]OCC(=O)NCc1cc(F)cc(F)c1)c1ccc(F)cc1 ZINC000742353013 577871549 /nfs/dbraw/zinc/87/15/49/577871549.db2.gz KNLYKTIQYJVUGZ-UHFFFAOYSA-N 1 2 337.301 2.057 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000744371021 577896725 /nfs/dbraw/zinc/89/67/25/577896725.db2.gz LWQINXIJVUCCCQ-UHFFFAOYSA-N 1 2 333.413 2.098 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)CC1 ZINC000744419253 577897432 /nfs/dbraw/zinc/89/74/32/577897432.db2.gz VJLSNAZBIGVOTK-UHFFFAOYSA-N 1 2 342.365 2.048 20 30 EEEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000741148204 578113702 /nfs/dbraw/zinc/11/37/02/578113702.db2.gz YRHQOOUARGREAN-CQSZACIVSA-N 1 2 335.791 2.178 20 30 EEEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000741148204 578113703 /nfs/dbraw/zinc/11/37/03/578113703.db2.gz YRHQOOUARGREAN-CQSZACIVSA-N 1 2 335.791 2.178 20 30 EEEDLO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000822829968 607484576 /nfs/dbraw/zinc/48/45/76/607484576.db2.gz RIXZERLMWHQFSG-UHFFFAOYSA-N 1 2 326.310 2.306 20 30 EEEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](CC=C(Cl)Cl)C1 ZINC000969462565 675058400 /nfs/dbraw/zinc/05/84/00/675058400.db2.gz GNUCZFMNVSLZBU-VIFPVBQESA-N 1 2 327.215 2.255 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC000970729104 676107587 /nfs/dbraw/zinc/10/75/87/676107587.db2.gz OTVKHDCLQIGHFZ-ZDUSSCGKSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnn3ccc(C)cc23)C1 ZINC000969887603 675283609 /nfs/dbraw/zinc/28/36/09/675283609.db2.gz JXIOZTHWJIBCDA-ZDUSSCGKSA-N 1 2 332.835 2.445 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(-n3cccn3)ccn2)C1 ZINC000970413281 675858187 /nfs/dbraw/zinc/85/81/87/675858187.db2.gz WYTWDIIWBHJSIQ-CYBMUJFWSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2ncccc2C)C1 ZINC000971310426 676479346 /nfs/dbraw/zinc/47/93/46/676479346.db2.gz QTVKVAPCRQEUGI-ZDUSSCGKSA-N 1 2 338.249 2.445 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2ncccc2C)C1 ZINC000971310426 676479347 /nfs/dbraw/zinc/47/93/47/676479347.db2.gz QTVKVAPCRQEUGI-ZDUSSCGKSA-N 1 2 338.249 2.445 20 30 EEEDLO C=CC[S@](=O)(=NC(=O)[C@H](c1c[nH+]cn1C)N(C)C)c1ccccc1 ZINC000891379275 676525175 /nfs/dbraw/zinc/52/51/75/676525175.db2.gz CLYMMCVDHVKBKK-UPCLLVRISA-N 1 2 346.456 2.263 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2onc(C)c2C)C1 ZINC000971756368 676777865 /nfs/dbraw/zinc/77/78/65/676777865.db2.gz LHZKWJSFBFGFHB-LBPRGKRZSA-N 1 2 342.237 2.346 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2onc(C)c2C)C1 ZINC000971756368 676777868 /nfs/dbraw/zinc/77/78/68/676777868.db2.gz LHZKWJSFBFGFHB-LBPRGKRZSA-N 1 2 342.237 2.346 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cccnc2C)C1 ZINC000972199330 678384554 /nfs/dbraw/zinc/38/45/54/678384554.db2.gz CFRBDXWDQHPAEG-CYBMUJFWSA-N 1 2 338.249 2.445 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2cccnc2C)C1 ZINC000972199330 678384558 /nfs/dbraw/zinc/38/45/58/678384558.db2.gz CFRBDXWDQHPAEG-CYBMUJFWSA-N 1 2 338.249 2.445 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4occc4c3)C2)C1 ZINC000972397774 678681981 /nfs/dbraw/zinc/68/19/81/678681981.db2.gz SPNHZSFEZSIIIN-HXUWFJFHSA-N 1 2 338.407 2.373 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4occc4c3)C2)C1 ZINC000972397774 678681983 /nfs/dbraw/zinc/68/19/83/678681983.db2.gz SPNHZSFEZSIIIN-HXUWFJFHSA-N 1 2 338.407 2.373 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)cccc3C)C2)C1 ZINC000972399868 678686925 /nfs/dbraw/zinc/68/69/25/678686925.db2.gz ORAHZODEGUVFLY-FQEVSTJZSA-N 1 2 328.456 2.335 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)cccc3C)C2)C1 ZINC000972399868 678686926 /nfs/dbraw/zinc/68/69/26/678686926.db2.gz ORAHZODEGUVFLY-FQEVSTJZSA-N 1 2 328.456 2.335 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)[nH]c4ccccc43)C2)C1 ZINC000972456071 678779892 /nfs/dbraw/zinc/77/98/92/678779892.db2.gz QTWNNJNANXXFQL-FQEVSTJZSA-N 1 2 337.423 2.026 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)[nH]c4ccccc43)C2)C1 ZINC000972456071 678779896 /nfs/dbraw/zinc/77/98/96/678779896.db2.gz QTWNNJNANXXFQL-FQEVSTJZSA-N 1 2 337.423 2.026 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc4ccccc43)C2)C1 ZINC000972456197 678782261 /nfs/dbraw/zinc/78/22/61/678782261.db2.gz UKXPCUWDJCLNJS-FQEVSTJZSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc4ccccc43)C2)C1 ZINC000972456197 678782263 /nfs/dbraw/zinc/78/22/63/678782263.db2.gz UKXPCUWDJCLNJS-FQEVSTJZSA-N 1 2 337.423 2.338 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)on2)C1 ZINC000972508007 679118908 /nfs/dbraw/zinc/11/89/08/679118908.db2.gz JUNCHFOCIARECQ-BZSNNMDCSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)on2)C1 ZINC000972508007 679118910 /nfs/dbraw/zinc/11/89/10/679118910.db2.gz JUNCHFOCIARECQ-BZSNNMDCSA-N 1 2 347.459 2.387 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(F)cc(F)cc3F)C2)C1 ZINC000972525806 679166058 /nfs/dbraw/zinc/16/60/58/679166058.db2.gz CKESBXYUNOHOGL-QGZVFWFLSA-N 1 2 340.345 2.207 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(F)cc(F)cc3F)C2)C1 ZINC000972525806 679166059 /nfs/dbraw/zinc/16/60/59/679166059.db2.gz CKESBXYUNOHOGL-QGZVFWFLSA-N 1 2 340.345 2.207 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3F)C2)C1 ZINC000972595207 679388302 /nfs/dbraw/zinc/38/83/02/679388302.db2.gz WKAUCWHOKZZGKK-QKLQHJQFSA-N 1 2 344.430 2.419 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3F)C2)C1 ZINC000972595207 679388305 /nfs/dbraw/zinc/38/83/05/679388305.db2.gz WKAUCWHOKZZGKK-QKLQHJQFSA-N 1 2 344.430 2.419 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4[nH]ccc4s3)C2)C1 ZINC000972655549 679520691 /nfs/dbraw/zinc/52/06/91/679520691.db2.gz MSHPIAOKQAJIND-GOSISDBHSA-N 1 2 343.452 2.170 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4[nH]ccc4s3)C2)C1 ZINC000972655549 679520693 /nfs/dbraw/zinc/52/06/93/679520693.db2.gz MSHPIAOKQAJIND-GOSISDBHSA-N 1 2 343.452 2.170 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C)c3C)C2)C1 ZINC000972662710 679531625 /nfs/dbraw/zinc/53/16/25/679531625.db2.gz UJYHHXWBGHZWBD-FQEVSTJZSA-N 1 2 326.440 2.244 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C)c3C)C2)C1 ZINC000972662710 679531628 /nfs/dbraw/zinc/53/16/28/679531628.db2.gz UJYHHXWBGHZWBD-FQEVSTJZSA-N 1 2 326.440 2.244 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccccc3C)C2)C1 ZINC000972684243 679599134 /nfs/dbraw/zinc/59/91/34/679599134.db2.gz JLZBUQULELGKLR-PXNSSMCTSA-N 1 2 326.440 2.035 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccccc3C)C2)C1 ZINC000972684243 679599136 /nfs/dbraw/zinc/59/91/36/679599136.db2.gz JLZBUQULELGKLR-PXNSSMCTSA-N 1 2 326.440 2.035 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Cc3ccc(F)cc3)C2)C1 ZINC000972694326 679617582 /nfs/dbraw/zinc/61/75/82/679617582.db2.gz AUPNHAIVXLSQGE-UZLBHIALSA-N 1 2 346.446 2.494 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Cc3ccc(F)cc3)C2)C1 ZINC000972694326 679617584 /nfs/dbraw/zinc/61/75/84/679617584.db2.gz AUPNHAIVXLSQGE-UZLBHIALSA-N 1 2 346.446 2.494 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3csc(CC(C)C)n3)C2)C1 ZINC000972697638 679626874 /nfs/dbraw/zinc/62/68/74/679626874.db2.gz ZNWMALJCIZMMQC-GOSISDBHSA-N 1 2 349.500 2.445 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3csc(CC(C)C)n3)C2)C1 ZINC000972697638 679626876 /nfs/dbraw/zinc/62/68/76/679626876.db2.gz ZNWMALJCIZMMQC-GOSISDBHSA-N 1 2 349.500 2.445 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cncc2[nH]cnc21 ZINC001024452863 679908425 /nfs/dbraw/zinc/90/84/25/679908425.db2.gz QXIWYSKABUSPPG-GFCCVEGCSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cncc2[nH]cnc21 ZINC001024452863 679908427 /nfs/dbraw/zinc/90/84/27/679908427.db2.gz QXIWYSKABUSPPG-GFCCVEGCSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cn2cccnc2n1 ZINC001024529945 680045422 /nfs/dbraw/zinc/04/54/22/680045422.db2.gz ATJXGAHXOQLLQH-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cn2cccnc2n1 ZINC001024529945 680045427 /nfs/dbraw/zinc/04/54/27/680045427.db2.gz ATJXGAHXOQLLQH-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C#CCC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001024593977 681255113 /nfs/dbraw/zinc/25/51/13/681255113.db2.gz VYSQATGTOJJPST-KRWDZBQOSA-N 1 2 337.427 2.079 20 30 EEEDLO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001024593977 681255119 /nfs/dbraw/zinc/25/51/19/681255119.db2.gz VYSQATGTOJJPST-KRWDZBQOSA-N 1 2 337.427 2.079 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH]c(=O)cc1OC ZINC001024654778 681323067 /nfs/dbraw/zinc/32/30/67/681323067.db2.gz RHPYWWKFWOHDPZ-LBPRGKRZSA-N 1 2 339.823 2.133 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH]c(=O)cc1OC ZINC001024654778 681323071 /nfs/dbraw/zinc/32/30/71/681323071.db2.gz RHPYWWKFWOHDPZ-LBPRGKRZSA-N 1 2 339.823 2.133 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnc2cccnn21 ZINC001024697462 681355738 /nfs/dbraw/zinc/35/57/38/681355738.db2.gz ZWOFINZPIKYHLI-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cnc2cccnn21 ZINC001024697462 681355743 /nfs/dbraw/zinc/35/57/43/681355743.db2.gz ZWOFINZPIKYHLI-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1c2c(nn1C)CCC2 ZINC001024754246 681416349 /nfs/dbraw/zinc/41/63/49/681416349.db2.gz PYFWKRAPEXXFBT-CYBMUJFWSA-N 1 2 336.867 2.246 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c2c(nn1C)CCC2 ZINC001024754246 681416351 /nfs/dbraw/zinc/41/63/51/681416351.db2.gz PYFWKRAPEXXFBT-CYBMUJFWSA-N 1 2 336.867 2.246 20 30 EEEDLO Cc1nccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)n1 ZINC001024806136 681459110 /nfs/dbraw/zinc/45/91/10/681459110.db2.gz GBPXHSRMKAZLTF-SFHVURJKSA-N 1 2 349.438 2.441 20 30 EEEDLO Cc1nccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)n1 ZINC001024806136 681459114 /nfs/dbraw/zinc/45/91/14/681459114.db2.gz GBPXHSRMKAZLTF-SFHVURJKSA-N 1 2 349.438 2.441 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@]2(C)C[N@H+](Cc3nnc(C)[nH]3)C[C@]2(C)C1 ZINC000982523143 681474668 /nfs/dbraw/zinc/47/46/68/681474668.db2.gz UFQRRBOJLPWPJZ-GBESFXJTSA-N 1 2 345.491 2.386 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@]2(C)C[N@@H+](Cc3nnc(C)[nH]3)C[C@]2(C)C1 ZINC000982523143 681474670 /nfs/dbraw/zinc/47/46/70/681474670.db2.gz UFQRRBOJLPWPJZ-GBESFXJTSA-N 1 2 345.491 2.386 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC001028809622 682268994 /nfs/dbraw/zinc/26/89/94/682268994.db2.gz LOUKBYMBTMEIFD-VPXGEOEKSA-N 1 2 333.259 2.335 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C/C(Cl)=C\Cl)C1 ZINC001028809622 682268996 /nfs/dbraw/zinc/26/89/96/682268996.db2.gz LOUKBYMBTMEIFD-VPXGEOEKSA-N 1 2 333.259 2.335 20 30 EEEDLO CC(F)(F)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001006565023 682664948 /nfs/dbraw/zinc/66/49/48/682664948.db2.gz DPFCROMMFUGMQJ-ZDUSSCGKSA-N 1 2 325.334 2.433 20 30 EEEDLO CC(F)(F)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001006565023 682664949 /nfs/dbraw/zinc/66/49/49/682664949.db2.gz DPFCROMMFUGMQJ-ZDUSSCGKSA-N 1 2 325.334 2.433 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)C2CCOCC2)[C@@H]1C ZINC000992971996 683696865 /nfs/dbraw/zinc/69/68/65/683696865.db2.gz URQMTIAOHCECSR-JSGCOSHPSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)C2CCOCC2)[C@@H]1C ZINC000992971996 683696868 /nfs/dbraw/zinc/69/68/68/683696868.db2.gz URQMTIAOHCECSR-JSGCOSHPSA-N 1 2 345.281 2.291 20 30 EEEDLO COC(=O)c1ccc(CO[NH+]=C(N)c2ccc(OC)cc2)c(F)c1 ZINC000153077327 683730232 /nfs/dbraw/zinc/73/02/32/683730232.db2.gz XAPWWBAXAPCAAA-UHFFFAOYSA-N 1 2 332.331 2.458 20 30 EEEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)[nH]1 ZINC001029273815 683776760 /nfs/dbraw/zinc/77/67/60/683776760.db2.gz DWWHODRJHCMEGB-KDURUIRLSA-N 1 2 344.418 2.227 20 30 EEEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)[nH]1 ZINC001029273815 683776762 /nfs/dbraw/zinc/77/67/62/683776762.db2.gz DWWHODRJHCMEGB-KDURUIRLSA-N 1 2 344.418 2.227 20 30 EEEDLO O=C([C@@H]1CCCCO1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029273797 683776846 /nfs/dbraw/zinc/77/68/46/683776846.db2.gz JKNFUESZWWSKMR-ZCNNSNEGSA-N 1 2 338.451 2.282 20 30 EEEDLO O=C([C@@H]1CCCCO1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029273797 683776854 /nfs/dbraw/zinc/77/68/54/683776854.db2.gz JKNFUESZWWSKMR-ZCNNSNEGSA-N 1 2 338.451 2.282 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)Cc3cc(C)on3)C2)nc1 ZINC001027656754 693815855 /nfs/dbraw/zinc/81/58/55/693815855.db2.gz YQEUNFMRMWEPBJ-KRWDZBQOSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3cc(C)on3)C2)nc1 ZINC001027656754 693815860 /nfs/dbraw/zinc/81/58/60/693815860.db2.gz YQEUNFMRMWEPBJ-KRWDZBQOSA-N 1 2 338.411 2.096 20 30 EEEDLO C=CCOc1cccnc1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001059303141 684075235 /nfs/dbraw/zinc/07/52/35/684075235.db2.gz SROAFRPVBANHSD-HDJSIYSDSA-N 1 2 339.399 2.118 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H](N(C)C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000984606103 684867637 /nfs/dbraw/zinc/86/76/37/684867637.db2.gz UKOXSUNLUXPNEQ-MRXNPFEDSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccnc3[nH]cnc32)C(C)(C)C1 ZINC000974633364 685152453 /nfs/dbraw/zinc/15/24/53/685152453.db2.gz QCGKTIOIYQYVID-GFCCVEGCSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccnc3[nH]cnc32)C(C)(C)C1 ZINC000974633364 685152457 /nfs/dbraw/zinc/15/24/57/685152457.db2.gz QCGKTIOIYQYVID-GFCCVEGCSA-N 1 2 333.823 2.151 20 30 EEEDLO N#Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)c1 ZINC001026855384 685190624 /nfs/dbraw/zinc/19/06/24/685190624.db2.gz GGRUQVWMISGYLF-UONOGXRCSA-N 1 2 343.324 2.397 20 30 EEEDLO N#Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)c1 ZINC001026855384 685190626 /nfs/dbraw/zinc/19/06/26/685190626.db2.gz GGRUQVWMISGYLF-UONOGXRCSA-N 1 2 343.324 2.397 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060094149 693962700 /nfs/dbraw/zinc/96/27/00/693962700.db2.gz XSNNEOLWZHPLRT-CYBMUJFWSA-N 1 2 341.390 2.314 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000975878151 686956273 /nfs/dbraw/zinc/95/62/73/686956273.db2.gz PDZMTZPBMSOEMN-RRFJBIMHSA-N 1 2 344.459 2.223 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000975878151 686956276 /nfs/dbraw/zinc/95/62/76/686956276.db2.gz PDZMTZPBMSOEMN-RRFJBIMHSA-N 1 2 344.459 2.223 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H](C[N@@H+](C)Cc3ncnn3CCC)C2)C1 ZINC001029836900 687259864 /nfs/dbraw/zinc/25/98/64/687259864.db2.gz VRYSXILVVNKYOO-MRXNPFEDSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H](C[N@H+](C)Cc3ncnn3CCC)C2)C1 ZINC001029836900 687259867 /nfs/dbraw/zinc/25/98/67/687259867.db2.gz VRYSXILVVNKYOO-MRXNPFEDSA-N 1 2 345.491 2.325 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)on1 ZINC001027752217 694317082 /nfs/dbraw/zinc/31/70/82/694317082.db2.gz WIOQZMHEDDAMIH-LBPRGKRZSA-N 1 2 330.413 2.311 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)on1 ZINC001027752217 694317086 /nfs/dbraw/zinc/31/70/86/694317086.db2.gz WIOQZMHEDDAMIH-LBPRGKRZSA-N 1 2 330.413 2.311 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059819570 689931975 /nfs/dbraw/zinc/93/19/75/689931975.db2.gz LCGQOQJKNBDWGJ-OAHLLOKOSA-N 1 2 346.475 2.299 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059819570 689931978 /nfs/dbraw/zinc/93/19/78/689931978.db2.gz LCGQOQJKNBDWGJ-OAHLLOKOSA-N 1 2 346.475 2.299 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@H]2C[C@@H](Nc3cnc(C#N)cn3)C2)c(C)[nH+]1 ZINC001059891202 690710812 /nfs/dbraw/zinc/71/08/12/690710812.db2.gz BWCAMRVQHBXMML-OKILXGFUSA-N 1 2 336.399 2.041 20 30 EEEDLO CCc1nc[nH]c1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000989577761 692054015 /nfs/dbraw/zinc/05/40/15/692054015.db2.gz JFJIDMSTSRNLKA-UHFFFAOYSA-N 1 2 336.439 2.172 20 30 EEEDLO CCc1nc[nH]c1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000989577761 692054016 /nfs/dbraw/zinc/05/40/16/692054016.db2.gz JFJIDMSTSRNLKA-UHFFFAOYSA-N 1 2 336.439 2.172 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@]2(NC(=O)c3cocn3)CCC[C@@H]12 ZINC000990031593 692599459 /nfs/dbraw/zinc/59/94/59/692599459.db2.gz YAARBZHMVFJCQB-TZMCWYRMSA-N 1 2 340.221 2.310 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@]2(NC(=O)c3cocn3)CCC[C@@H]12 ZINC000990031593 692599462 /nfs/dbraw/zinc/59/94/62/692599462.db2.gz YAARBZHMVFJCQB-TZMCWYRMSA-N 1 2 340.221 2.310 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC001027540887 692796736 /nfs/dbraw/zinc/79/67/36/692796736.db2.gz FGZWHHUTMGRDCJ-CYBMUJFWSA-N 1 2 342.237 2.049 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC001027540887 692796738 /nfs/dbraw/zinc/79/67/38/692796738.db2.gz FGZWHHUTMGRDCJ-CYBMUJFWSA-N 1 2 342.237 2.049 20 30 EEEDLO C[C@@H]1C[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)CCO1 ZINC001032078730 1192240695 /nfs/dbraw/zinc/24/06/95/1192240695.db2.gz XRTYCFSGEVXMNC-CZUORRHYSA-N 1 2 345.418 2.060 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000943511235 1192321701 /nfs/dbraw/zinc/32/17/01/1192321701.db2.gz HAFXIWWKLRHHFH-HNNXBMFYSA-N 1 2 344.459 2.114 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2c(Cl)nc3ccccn32)C1 ZINC001032171808 1192827800 /nfs/dbraw/zinc/82/78/00/1192827800.db2.gz GCKWBBAJBCPTSY-UHFFFAOYSA-N 1 2 339.226 2.402 20 30 EEEDLO C=C1CCC(C(=O)N2CC(NC(=O)c3cccc4[nH+]ccn43)C2)CC1 ZINC000995541474 1193141885 /nfs/dbraw/zinc/14/18/85/1193141885.db2.gz PYFRTVMVMRHYGO-UHFFFAOYSA-N 1 2 338.411 2.021 20 30 EEEDLO Cc1cc(NC/C=C/CNC(=O)c2cc(C#N)c[nH]2)nc(C2CC2)[nH+]1 ZINC001107097712 1193208005 /nfs/dbraw/zinc/20/80/05/1193208005.db2.gz YDFPLRWHKZVNAN-NSCUHMNNSA-N 1 2 336.399 2.260 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2COc3ccccc32)C1 ZINC001032224592 1193274480 /nfs/dbraw/zinc/27/44/80/1193274480.db2.gz BWGUTZDBPADFLO-IBGZPJMESA-N 1 2 347.418 2.282 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001034126186 1195781072 /nfs/dbraw/zinc/78/10/72/1195781072.db2.gz UYRLMHULEIMNRJ-KBPBESRZSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001034126186 1195781076 /nfs/dbraw/zinc/78/10/76/1195781076.db2.gz UYRLMHULEIMNRJ-KBPBESRZSA-N 1 2 345.281 2.292 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCc2cc(-c3cnn(C)c3C)no2)cc1 ZINC000185733755 1193332815 /nfs/dbraw/zinc/33/28/15/1193332815.db2.gz GUWQPYCTUAJUDM-UHFFFAOYSA-N 1 2 341.371 2.229 20 30 EEEDLO CCn1ccnc1C[N@@H+]1CCC2(CN(C(=O)c3cccc(C#N)c3)C2)C1 ZINC001271497151 1186276257 /nfs/dbraw/zinc/27/62/57/1186276257.db2.gz HJZYQCHVHVFMLX-UHFFFAOYSA-N 1 2 349.438 2.123 20 30 EEEDLO CCn1ccnc1C[N@H+]1CCC2(CN(C(=O)c3cccc(C#N)c3)C2)C1 ZINC001271497151 1186276262 /nfs/dbraw/zinc/27/62/62/1186276262.db2.gz HJZYQCHVHVFMLX-UHFFFAOYSA-N 1 2 349.438 2.123 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)C(C)(F)F)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088444628 1186896258 /nfs/dbraw/zinc/89/62/58/1186896258.db2.gz NWWPBJVCDCMLDR-YGRLFVJLSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)C(C)(F)F)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088444628 1186896261 /nfs/dbraw/zinc/89/62/61/1186896261.db2.gz NWWPBJVCDCMLDR-YGRLFVJLSA-N 1 2 325.334 2.432 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCO2)[C@H]1C ZINC001088478905 1186989398 /nfs/dbraw/zinc/98/93/98/1186989398.db2.gz WYUKKUCAYJYCSB-AGIUHOORSA-N 1 2 331.254 2.043 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCO2)[C@H]1C ZINC001088478905 1186989400 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329.444 2.136 20 30 EEEDLO COc1cc[nH+]cc1Cn1c(C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001411855642 1205557799 /nfs/dbraw/zinc/55/77/99/1205557799.db2.gz PUBMILZQDWVUCF-KRWDZBQOSA-N 1 2 326.404 2.169 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nnn1CC ZINC001110933052 1206314255 /nfs/dbraw/zinc/31/42/55/1206314255.db2.gz FOSBMLVTVHCRJT-DZUCGIPZSA-N 1 2 345.491 2.430 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nnn1CC ZINC001110933052 1206314257 /nfs/dbraw/zinc/31/42/57/1206314257.db2.gz FOSBMLVTVHCRJT-DZUCGIPZSA-N 1 2 345.491 2.430 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(OC)n1 ZINC001110934969 1206315444 /nfs/dbraw/zinc/31/54/44/1206315444.db2.gz SQFAGCJTCCPEPL-SVGFKBNWSA-N 1 2 344.459 2.309 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(OC)n1 ZINC001110934969 1206315446 /nfs/dbraw/zinc/31/54/46/1206315446.db2.gz SQFAGCJTCCPEPL-SVGFKBNWSA-N 1 2 344.459 2.309 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cccc2nccn21 ZINC001015266206 1225007452 /nfs/dbraw/zinc/00/74/52/1225007452.db2.gz ZDXJGUFECHSXHS-SFHVURJKSA-N 1 2 344.418 2.190 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cccc2nccn21 ZINC001015266206 1225007447 /nfs/dbraw/zinc/00/74/47/1225007447.db2.gz ZDXJGUFECHSXHS-SFHVURJKSA-N 1 2 344.418 2.190 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)CC ZINC001111072134 1207941934 /nfs/dbraw/zinc/94/19/34/1207941934.db2.gz DBDGNHROBSOSTD-FPCVCCKLSA-N 1 2 335.492 2.225 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)CC ZINC001111072134 1207941937 /nfs/dbraw/zinc/94/19/37/1207941937.db2.gz DBDGNHROBSOSTD-FPCVCCKLSA-N 1 2 335.492 2.225 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000947692292 1208675112 /nfs/dbraw/zinc/67/51/12/1208675112.db2.gz IVVWKLCUVPERKJ-HUUCEWRRSA-N 1 2 344.459 2.223 20 30 EEEDLO 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1221380738 /nfs/dbraw/zinc/38/07/38/1221380738.db2.gz YTADAVYBUOLZCZ-JOYOIKCWSA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cn(C)nc2Cl)C1 ZINC000968530163 1221380743 /nfs/dbraw/zinc/38/07/43/1221380743.db2.gz YTADAVYBUOLZCZ-JOYOIKCWSA-N 1 2 331.247 2.266 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(=O)c3ccccc3o2)C1 ZINC000968606745 1221436783 /nfs/dbraw/zinc/43/67/83/1221436783.db2.gz JFYIJWFWZOGFGT-GOEBONIOSA-N 1 2 338.407 2.257 20 30 EEEDLO CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(=O)c3ccccc3o2)C1 ZINC000968606745 1221436785 /nfs/dbraw/zinc/43/67/85/1221436785.db2.gz JFYIJWFWZOGFGT-GOEBONIOSA-N 1 2 338.407 2.257 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000968708610 1221506388 /nfs/dbraw/zinc/50/63/88/1221506388.db2.gz CPXRFGFEMZHLJA-CXAGYDPISA-N 1 2 337.427 2.230 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000968708610 1221506391 /nfs/dbraw/zinc/50/63/91/1221506391.db2.gz CPXRFGFEMZHLJA-CXAGYDPISA-N 1 2 337.427 2.230 20 30 EEEDLO Cc1ncncc1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001006790006 1221945344 /nfs/dbraw/zinc/94/53/44/1221945344.db2.gz OIRNIKVOSKQALD-GOSISDBHSA-N 1 2 334.423 2.031 20 30 EEEDLO Cc1ncncc1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001006790006 1221945345 /nfs/dbraw/zinc/94/53/45/1221945345.db2.gz OIRNIKVOSKQALD-GOSISDBHSA-N 1 2 334.423 2.031 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)C3=COCCC3)C2)c1 ZINC001006893423 1222000958 /nfs/dbraw/zinc/00/09/58/1222000958.db2.gz VIWBJMNGFDCSJH-KRWDZBQOSA-N 1 2 343.402 2.472 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)C3=COCCC3)C2)c1 ZINC001006893423 1222000962 /nfs/dbraw/zinc/00/09/62/1222000962.db2.gz VIWBJMNGFDCSJH-KRWDZBQOSA-N 1 2 343.402 2.472 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCCOC3)C2)c(F)c1 ZINC001006905380 1222004925 /nfs/dbraw/zinc/00/49/25/1222004925.db2.gz KZONUILBIDEPOA-SJORKVTESA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CCCOC3)C2)c(F)c1 ZINC001006905380 1222004929 /nfs/dbraw/zinc/00/49/29/1222004929.db2.gz KZONUILBIDEPOA-SJORKVTESA-N 1 2 345.418 2.205 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1cncc(F)c1 ZINC001007084672 1222088317 /nfs/dbraw/zinc/08/83/17/1222088317.db2.gz IOCRLCDPHIGAFD-LJQANCHMSA-N 1 2 337.398 2.467 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1cncc(F)c1 ZINC001007084672 1222088320 /nfs/dbraw/zinc/08/83/20/1222088320.db2.gz IOCRLCDPHIGAFD-LJQANCHMSA-N 1 2 337.398 2.467 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)c1ncc[nH]1 ZINC001007293304 1222157526 /nfs/dbraw/zinc/15/75/26/1222157526.db2.gz QZDGLPWQZUMZJZ-INIZCTEOSA-N 1 2 342.830 2.309 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)c1ncc[nH]1 ZINC001007293304 1222157528 /nfs/dbraw/zinc/15/75/28/1222157528.db2.gz QZDGLPWQZUMZJZ-INIZCTEOSA-N 1 2 342.830 2.309 20 30 EEEDLO Cc1nocc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001008385429 1222801386 /nfs/dbraw/zinc/80/13/86/1222801386.db2.gz MLCZICIUMIJWRM-LBPRGKRZSA-N 1 2 330.413 2.311 20 30 EEEDLO Cc1nocc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001008385429 1222801388 /nfs/dbraw/zinc/80/13/88/1222801388.db2.gz MLCZICIUMIJWRM-LBPRGKRZSA-N 1 2 330.413 2.311 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)CC1 ZINC001008547918 1222920771 /nfs/dbraw/zinc/92/07/71/1222920771.db2.gz BVDMGQNDLBSOBE-OAHLLOKOSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001008558156 1222925491 /nfs/dbraw/zinc/92/54/91/1222925491.db2.gz HTBKOEOGFGYGOW-QRVBRYPASA-N 1 2 339.439 2.230 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001008558156 1222925495 /nfs/dbraw/zinc/92/54/95/1222925495.db2.gz HTBKOEOGFGYGOW-QRVBRYPASA-N 1 2 339.439 2.230 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008573312 1222936787 /nfs/dbraw/zinc/93/67/87/1222936787.db2.gz FPYPRWUNTXGPAA-QBIMZIAESA-N 1 2 345.418 2.203 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008573312 1222936790 /nfs/dbraw/zinc/93/67/90/1222936790.db2.gz FPYPRWUNTXGPAA-QBIMZIAESA-N 1 2 345.418 2.203 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cn2ccccc2n1 ZINC001016172891 1226169053 /nfs/dbraw/zinc/16/90/53/1226169053.db2.gz CNVQHDBELKUJMH-SFHVURJKSA-N 1 2 344.418 2.190 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cn2ccccc2n1 ZINC001016172891 1226169057 /nfs/dbraw/zinc/16/90/57/1226169057.db2.gz CNVQHDBELKUJMH-SFHVURJKSA-N 1 2 344.418 2.190 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001009573644 1223289699 /nfs/dbraw/zinc/28/96/99/1223289699.db2.gz VALXJCXNVHEVEL-QGZVFWFLSA-N 1 2 349.862 2.269 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001009573644 1223289700 /nfs/dbraw/zinc/28/97/00/1223289700.db2.gz VALXJCXNVHEVEL-QGZVFWFLSA-N 1 2 349.862 2.269 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CCCO1 ZINC001010061052 1223530741 /nfs/dbraw/zinc/53/07/41/1223530741.db2.gz PMEXOKUPOSIZFV-DLBZAZTESA-N 1 2 332.831 2.061 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CCCO1 ZINC001010061052 1223530743 /nfs/dbraw/zinc/53/07/43/1223530743.db2.gz PMEXOKUPOSIZFV-DLBZAZTESA-N 1 2 332.831 2.061 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cscn3)C2)cc1F ZINC001010375751 1223688276 /nfs/dbraw/zinc/68/82/76/1223688276.db2.gz KRSRTCCBHXOVDY-ZDUSSCGKSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cscn3)C2)cc1F ZINC001010375751 1223688278 /nfs/dbraw/zinc/68/82/78/1223688278.db2.gz KRSRTCCBHXOVDY-ZDUSSCGKSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)c3cncc(F)c3)C2)ccc1F ZINC001010535855 1223770896 /nfs/dbraw/zinc/77/08/96/1223770896.db2.gz NMVRUPIYOCOLRK-MRXNPFEDSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cncc(F)c3)C2)ccc1F ZINC001010535855 1223770898 /nfs/dbraw/zinc/77/08/98/1223770898.db2.gz NMVRUPIYOCOLRK-MRXNPFEDSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3c[nH]nc32)C1 ZINC001014438336 1226618205 /nfs/dbraw/zinc/61/82/05/1226618205.db2.gz SOUAOUJDZIIIBI-ROUUACIJSA-N 1 2 349.438 2.092 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3c[nH]nc32)C1 ZINC001014438336 1226618209 /nfs/dbraw/zinc/61/82/09/1226618209.db2.gz SOUAOUJDZIIIBI-ROUUACIJSA-N 1 2 349.438 2.092 20 30 EEEDLO CC(C)n1nccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001014551314 1226759553 /nfs/dbraw/zinc/75/95/53/1226759553.db2.gz HGFPCRCOQIIHOO-QGZVFWFLSA-N 1 2 337.427 2.340 20 30 EEEDLO CC(C)n1nccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001014551314 1226759557 /nfs/dbraw/zinc/75/95/57/1226759557.db2.gz HGFPCRCOQIIHOO-QGZVFWFLSA-N 1 2 337.427 2.340 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ncnn2C)C1 ZINC001017179425 1227199735 /nfs/dbraw/zinc/19/97/35/1227199735.db2.gz IRZGGJBBUCKEKV-OAHLLOKOSA-N 1 2 333.480 2.088 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](C[N@H+](C)Cc2ncnn2C)C1 ZINC001017179425 1227199738 /nfs/dbraw/zinc/19/97/38/1227199738.db2.gz IRZGGJBBUCKEKV-OAHLLOKOSA-N 1 2 333.480 2.088 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2nnnn2C(C)C)C1 ZINC001017180961 1227200641 /nfs/dbraw/zinc/20/06/41/1227200641.db2.gz XMRXVZWTDWHBLP-HNNXBMFYSA-N 1 2 348.495 2.137 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2nnnn2C(C)C)C1 ZINC001017180961 1227200644 /nfs/dbraw/zinc/20/06/44/1227200644.db2.gz XMRXVZWTDWHBLP-HNNXBMFYSA-N 1 2 348.495 2.137 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccncc2)c1 ZINC001017300999 1227314099 /nfs/dbraw/zinc/31/40/99/1227314099.db2.gz ZHVJKHWAGAADIF-KDURUIRLSA-N 1 2 332.407 2.442 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccncc2)c1 ZINC001017300999 1227314102 /nfs/dbraw/zinc/31/41/02/1227314102.db2.gz ZHVJKHWAGAADIF-KDURUIRLSA-N 1 2 332.407 2.442 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nnc(CC)o3)C2)cc1 ZINC001019224168 1228892657 /nfs/dbraw/zinc/89/26/57/1228892657.db2.gz FGFNGTRQDNMZRI-CJNGLKHVSA-N 1 2 338.411 2.179 20 30 EEEDLO C#CCCS(=O)(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000279357222 1229159832 /nfs/dbraw/zinc/15/98/32/1229159832.db2.gz JYXQJWNJPGUBEN-UHFFFAOYSA-N 1 2 340.876 2.201 20 30 EEEDLO C#CCCS(=O)(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000279357222 1229159833 /nfs/dbraw/zinc/15/98/33/1229159833.db2.gz JYXQJWNJPGUBEN-UHFFFAOYSA-N 1 2 340.876 2.201 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)C2)cn1 ZINC001058407437 1248998066 /nfs/dbraw/zinc/99/80/66/1248998066.db2.gz KUZZBYDVEOTIBF-KRWDZBQOSA-N 1 2 349.438 2.293 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2c(F)cncc2F)c1 ZINC001038297385 1229729442 /nfs/dbraw/zinc/72/94/42/1229729442.db2.gz MOTMFVYAFPEJDJ-AWEZNQCLSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2c(F)cncc2F)c1 ZINC001038297385 1229729447 /nfs/dbraw/zinc/72/94/47/1229729447.db2.gz MOTMFVYAFPEJDJ-AWEZNQCLSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC001038477634 1229857635 /nfs/dbraw/zinc/85/76/35/1229857635.db2.gz WWSNXPGTRKLDNB-QUCCMNQESA-N 1 2 347.418 2.252 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC001038477634 1229857644 /nfs/dbraw/zinc/85/76/44/1229857644.db2.gz WWSNXPGTRKLDNB-QUCCMNQESA-N 1 2 347.418 2.252 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@]23CCC[C@H]2OCC3)s1 ZINC001038508840 1229880422 /nfs/dbraw/zinc/88/04/22/1229880422.db2.gz QLPHPQBUJIBQIZ-QBIMZIAESA-N 1 2 345.468 2.269 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@]23CCC[C@H]2OCC3)s1 ZINC001038508840 1229880425 /nfs/dbraw/zinc/88/04/25/1229880425.db2.gz QLPHPQBUJIBQIZ-QBIMZIAESA-N 1 2 345.468 2.269 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ocnc2C2CC2)cc1 ZINC001038704266 1229986039 /nfs/dbraw/zinc/98/60/39/1229986039.db2.gz CRJHNEAPSAXXHX-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ocnc2C2CC2)cc1 ZINC001038704266 1229986042 /nfs/dbraw/zinc/98/60/42/1229986042.db2.gz CRJHNEAPSAXXHX-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO C#CCOc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccnc2)cc1 ZINC001038778293 1230047223 /nfs/dbraw/zinc/04/72/23/1230047223.db2.gz LUAQOBRRRQBAHX-GOSISDBHSA-N 1 2 335.407 2.098 20 30 EEEDLO C#CCOc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccnc2)cc1 ZINC001038778293 1230047225 /nfs/dbraw/zinc/04/72/25/1230047225.db2.gz LUAQOBRRRQBAHX-GOSISDBHSA-N 1 2 335.407 2.098 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2coc(C3CC3)n2)cc1 ZINC001038785963 1230055852 /nfs/dbraw/zinc/05/58/52/1230055852.db2.gz JLNAAKJCERWGJY-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2coc(C3CC3)n2)cc1 ZINC001038785963 1230055856 /nfs/dbraw/zinc/05/58/56/1230055856.db2.gz JLNAAKJCERWGJY-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]c1-c1ccccn1 ZINC001039384388 1230569358 /nfs/dbraw/zinc/56/93/58/1230569358.db2.gz SCJNZABKOQDIJV-CVEARBPZSA-N 1 2 349.438 2.174 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]c1-c1ccccn1 ZINC001039384388 1230569361 /nfs/dbraw/zinc/56/93/61/1230569361.db2.gz SCJNZABKOQDIJV-CVEARBPZSA-N 1 2 349.438 2.174 20 30 EEEDLO Cc1nc(NC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC[C@H]2C)cc[nH+]1 ZINC001039854743 1230859718 /nfs/dbraw/zinc/85/97/18/1230859718.db2.gz KRNREDWIGHIQOR-IUODEOHRSA-N 1 2 338.415 2.195 20 30 EEEDLO C=C(Cl)CN1CCC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040298649 1231158259 /nfs/dbraw/zinc/15/82/59/1231158259.db2.gz YONRBEPZUJARKO-QGZVFWFLSA-N 1 2 336.867 2.259 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cncc3C)C2)C1 ZINC001040298649 1231158261 /nfs/dbraw/zinc/15/82/61/1231158261.db2.gz YONRBEPZUJARKO-QGZVFWFLSA-N 1 2 336.867 2.259 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cncc3C)C2)C1 ZINC001040298649 1231158262 /nfs/dbraw/zinc/15/82/62/1231158262.db2.gz YONRBEPZUJARKO-QGZVFWFLSA-N 1 2 336.867 2.259 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CN(c4cc[nH+]c(C)n4)C[C@H]32)cc1 ZINC001040780728 1231365700 /nfs/dbraw/zinc/36/57/00/1231365700.db2.gz NSZBKXXKWOQBDW-ZWKOTPCHSA-N 1 2 332.407 2.117 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(F)F)C[C@H]21 ZINC001041890353 1231750179 /nfs/dbraw/zinc/75/01/79/1231750179.db2.gz CUFSRKPBIOKROU-WDEREUQCSA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(F)F)C[C@H]21 ZINC001041890353 1231750180 /nfs/dbraw/zinc/75/01/80/1231750180.db2.gz CUFSRKPBIOKROU-WDEREUQCSA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3ncnn3CC)[C@H]2C1 ZINC001042185529 1231944284 /nfs/dbraw/zinc/94/42/84/1231944284.db2.gz ULCGNMWWLMWCOP-HOTGVXAUSA-N 1 2 345.491 2.323 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3ncnn3CC)[C@H]2C1 ZINC001042185529 1231944287 /nfs/dbraw/zinc/94/42/87/1231944287.db2.gz ULCGNMWWLMWCOP-HOTGVXAUSA-N 1 2 345.491 2.323 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nc(CC)no4)[C@H]3C2)C1 ZINC001042223990 1231966544 /nfs/dbraw/zinc/96/65/44/1231966544.db2.gz IGEBIOBLLHOODV-CABCVRRESA-N 1 2 344.459 2.411 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4nc(CC)no4)[C@H]3C2)C1 ZINC001042223990 1231966546 /nfs/dbraw/zinc/96/65/46/1231966546.db2.gz IGEBIOBLLHOODV-CABCVRRESA-N 1 2 344.459 2.411 20 30 EEEDLO C[C@H]1CCCC[C@H]1OCC[NH+]1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001042614187 1232121469 /nfs/dbraw/zinc/12/14/69/1232121469.db2.gz FKFMXOYCBKUYLJ-KBXCAEBGSA-N 1 2 344.459 2.238 20 30 EEEDLO CN(C(=O)[C@@H]1CCC1(F)F)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001043037706 1232235195 /nfs/dbraw/zinc/23/51/95/1232235195.db2.gz WSLCEBPCGUIUCT-INIZCTEOSA-N 1 2 349.381 2.277 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2cnc(C)[nH]2)CC1 ZINC001045388882 1233712961 /nfs/dbraw/zinc/71/29/61/1233712961.db2.gz SYFXVXYLPOABPI-UHFFFAOYSA-N 1 2 341.253 2.211 20 30 EEEDLO Cc1c(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cnn1CCC#N ZINC000900340803 1234238990 /nfs/dbraw/zinc/23/89/90/1234238990.db2.gz VHVYCPIJAOWVBP-OAHLLOKOSA-N 1 2 328.420 2.146 20 30 EEEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC001046080353 1234415546 /nfs/dbraw/zinc/41/55/46/1234415546.db2.gz NECOCQMIJLVWDC-FQEVSTJZSA-N 1 2 348.450 2.195 20 30 EEEDLO Cc1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(C#N)cc3F)C2)on1 ZINC001046127763 1234471199 /nfs/dbraw/zinc/47/11/99/1234471199.db2.gz CRGMFSRUSPAKDQ-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3F)C2)on1 ZINC001046127763 1234471201 /nfs/dbraw/zinc/47/12/01/1234471201.db2.gz CRGMFSRUSPAKDQ-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO C[C@]1(NC(=O)c2cncs2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046172596 1234513695 /nfs/dbraw/zinc/51/36/95/1234513695.db2.gz CQRTUANTKRSVNO-KRWDZBQOSA-N 1 2 326.425 2.409 20 30 EEEDLO C[C@]1(NC(=O)c2cncs2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046172596 1234513698 /nfs/dbraw/zinc/51/36/98/1234513698.db2.gz CQRTUANTKRSVNO-KRWDZBQOSA-N 1 2 326.425 2.409 20 30 EEEDLO C[C@@]1(NC(=O)c2cocn2)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046195400 1234540493 /nfs/dbraw/zinc/54/04/93/1234540493.db2.gz WKEDSKIFOAHQBY-QGZVFWFLSA-N 1 2 328.347 2.080 20 30 EEEDLO C[C@@]1(NC(=O)c2cocn2)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046195400 1234540497 /nfs/dbraw/zinc/54/04/97/1234540497.db2.gz WKEDSKIFOAHQBY-QGZVFWFLSA-N 1 2 328.347 2.080 20 30 EEEDLO Cc1csc(C[N@@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001046222766 1234569844 /nfs/dbraw/zinc/56/98/44/1234569844.db2.gz CVXLILNOACTCFE-INIZCTEOSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1csc(C[N@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001046222766 1234569848 /nfs/dbraw/zinc/56/98/48/1234569848.db2.gz CVXLILNOACTCFE-INIZCTEOSA-N 1 2 329.429 2.046 20 30 EEEDLO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001046223246 1234570696 /nfs/dbraw/zinc/57/06/96/1234570696.db2.gz JHRVXCHGFHMAAU-KRWDZBQOSA-N 1 2 343.818 2.329 20 30 EEEDLO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001046223246 1234570700 /nfs/dbraw/zinc/57/07/00/1234570700.db2.gz JHRVXCHGFHMAAU-KRWDZBQOSA-N 1 2 343.818 2.329 20 30 EEEDLO Cc1nc(C(=O)N[C@]2(C)CC[N@H+](Cc3cc(C#N)ccc3F)C2)co1 ZINC001046256686 1234600820 /nfs/dbraw/zinc/60/08/20/1234600820.db2.gz YMBBJJAHXFKFDW-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nc(C(=O)N[C@]2(C)CC[N@@H+](Cc3cc(C#N)ccc3F)C2)co1 ZINC001046256686 1234600822 /nfs/dbraw/zinc/60/08/22/1234600822.db2.gz YMBBJJAHXFKFDW-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnc3cc(OC)ccn32)C1 ZINC001046485441 1234858843 /nfs/dbraw/zinc/85/88/43/1234858843.db2.gz WRYBJGHHJBMQKW-KRWDZBQOSA-N 1 2 348.834 2.290 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnc3cc(OC)ccn32)C1 ZINC001046485441 1234858846 /nfs/dbraw/zinc/85/88/46/1234858846.db2.gz WRYBJGHHJBMQKW-KRWDZBQOSA-N 1 2 348.834 2.290 20 30 EEEDLO N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)c3cccc4[nH+]ccn43)C2)cn1 ZINC001046513264 1234889696 /nfs/dbraw/zinc/88/96/96/1234889696.db2.gz GHCKYGZRFWTTEL-AKAXFMLLSA-N 1 2 346.394 2.221 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001046519330 1234898383 /nfs/dbraw/zinc/89/83/83/1234898383.db2.gz GVJANCDWBMVICT-RDTXWAMCSA-N 1 2 347.846 2.446 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001046519330 1234898386 /nfs/dbraw/zinc/89/83/86/1234898386.db2.gz GVJANCDWBMVICT-RDTXWAMCSA-N 1 2 347.846 2.446 20 30 EEEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2oc3ccccc3c2CC)C1 ZINC001047646081 1236341289 /nfs/dbraw/zinc/34/12/89/1236341289.db2.gz WFGCABBVUYJGNC-IRXDYDNUSA-N 1 2 340.423 2.136 20 30 EEEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2oc3ccccc3c2CC)C1 ZINC001047646081 1236341295 /nfs/dbraw/zinc/34/12/95/1236341295.db2.gz WFGCABBVUYJGNC-IRXDYDNUSA-N 1 2 340.423 2.136 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001096293001 1237190212 /nfs/dbraw/zinc/19/02/12/1237190212.db2.gz VGZJKIQOQKSJTE-SQNIBIBYSA-N 1 2 335.407 2.370 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001096293001 1237190213 /nfs/dbraw/zinc/19/02/13/1237190213.db2.gz VGZJKIQOQKSJTE-SQNIBIBYSA-N 1 2 335.407 2.370 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056456632 1239390321 /nfs/dbraw/zinc/39/03/21/1239390321.db2.gz SQXCJJOXWZADGA-JKSUJKDBSA-N 1 2 344.459 2.077 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056456475 1239390556 /nfs/dbraw/zinc/39/05/56/1239390556.db2.gz QUFOELPKESRKHE-IXDOHACOSA-N 1 2 344.459 2.077 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cnc3[nH]c(C)nc3c2)CC1 ZINC001000763301 1240891738 /nfs/dbraw/zinc/89/17/38/1240891738.db2.gz OEQPRHZHDKBRTF-UHFFFAOYSA-N 1 2 345.834 2.381 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cnc3[nH]c(C)nc3c2)CC1 ZINC001000763301 1240891740 /nfs/dbraw/zinc/89/17/40/1240891740.db2.gz OEQPRHZHDKBRTF-UHFFFAOYSA-N 1 2 345.834 2.381 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1nnc(CC)n1C ZINC001049635003 1241717625 /nfs/dbraw/zinc/71/76/25/1241717625.db2.gz IYYYSSSGLJLBFS-LSDHHAIUSA-N 1 2 345.491 2.155 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1nnc(CC)n1C ZINC001049635003 1241717639 /nfs/dbraw/zinc/71/76/39/1241717639.db2.gz IYYYSSSGLJLBFS-LSDHHAIUSA-N 1 2 345.491 2.155 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1nc(CC)no1 ZINC001049638238 1241721875 /nfs/dbraw/zinc/72/18/75/1241721875.db2.gz ACOLUFWODUIAGZ-KBPBESRZSA-N 1 2 332.448 2.410 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1nc(CC)no1 ZINC001049638238 1241721883 /nfs/dbraw/zinc/72/18/83/1241721883.db2.gz ACOLUFWODUIAGZ-KBPBESRZSA-N 1 2 332.448 2.410 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ncnn1CC ZINC001049691881 1241889600 /nfs/dbraw/zinc/88/96/00/1241889600.db2.gz CFXOUUAPNGEQOR-FRQCXROJSA-N 1 2 345.491 2.466 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ncnn1CC ZINC001049691881 1241889616 /nfs/dbraw/zinc/88/96/16/1241889616.db2.gz CFXOUUAPNGEQOR-FRQCXROJSA-N 1 2 345.491 2.466 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2nncn2C)CC1 ZINC001049692228 1241890656 /nfs/dbraw/zinc/89/06/56/1241890656.db2.gz DUDFTLZFLGTVAD-DLBZAZTESA-N 1 2 343.475 2.127 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2nncn2C)CC1 ZINC001049692228 1241890668 /nfs/dbraw/zinc/89/06/68/1241890668.db2.gz DUDFTLZFLGTVAD-DLBZAZTESA-N 1 2 343.475 2.127 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC001049833776 1242352590 /nfs/dbraw/zinc/35/25/90/1242352590.db2.gz FFJYRTJPNMPRHE-RRQGHBQHSA-N 1 2 348.878 2.332 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC001049833776 1242352603 /nfs/dbraw/zinc/35/26/03/1242352603.db2.gz FFJYRTJPNMPRHE-RRQGHBQHSA-N 1 2 348.878 2.332 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC001049833776 1242352617 /nfs/dbraw/zinc/35/26/17/1242352617.db2.gz FFJYRTJPNMPRHE-RRQGHBQHSA-N 1 2 348.878 2.332 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC001049833776 1242352630 /nfs/dbraw/zinc/35/26/30/1242352630.db2.gz FFJYRTJPNMPRHE-RRQGHBQHSA-N 1 2 348.878 2.332 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1(C)C ZINC001073343749 1242366422 /nfs/dbraw/zinc/36/64/22/1242366422.db2.gz XWDUPVOKWSSREB-GDBMZVCRSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001073343749 1242366426 /nfs/dbraw/zinc/36/64/26/1242366426.db2.gz XWDUPVOKWSSREB-GDBMZVCRSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC001073436239 1242467748 /nfs/dbraw/zinc/46/77/48/1242467748.db2.gz MSHBDMSFGALBKZ-INIZCTEOSA-N 1 2 346.475 2.062 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001073466980 1242522829 /nfs/dbraw/zinc/52/28/29/1242522829.db2.gz PKTKUYDJSWEIPX-ZBFHGGJFSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001067925102 1249986953 /nfs/dbraw/zinc/98/69/53/1249986953.db2.gz KGSBETVPIMJKLH-LJQANCHMSA-N 1 2 348.491 2.262 20 30 EEEDLO C=CCOCC(=O)NC[C@H](Nc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001096591607 1242730626 /nfs/dbraw/zinc/73/06/26/1242730626.db2.gz KTRVQJBIKWIITJ-HNNXBMFYSA-N 1 2 332.448 2.418 20 30 EEEDLO C=CCOCC(=O)NC[C@@H](Nc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001096591612 1242731269 /nfs/dbraw/zinc/73/12/69/1242731269.db2.gz KTRVQJBIKWIITJ-OAHLLOKOSA-N 1 2 332.448 2.418 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC001074036874 1242916533 /nfs/dbraw/zinc/91/65/33/1242916533.db2.gz ROEUIULDISQYOM-GDBMZVCRSA-N 1 2 346.475 2.246 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCO2)C3)cc1F ZINC001096771388 1243302513 /nfs/dbraw/zinc/30/25/13/1243302513.db2.gz YHDXRPVENXVPJS-NRSFXHEJSA-N 1 2 343.402 2.098 20 30 EEEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCO2)C3)cc1F ZINC001096771388 1243302524 /nfs/dbraw/zinc/30/25/24/1243302524.db2.gz YHDXRPVENXVPJS-NRSFXHEJSA-N 1 2 343.402 2.098 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H](Nc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001096807671 1243308722 /nfs/dbraw/zinc/30/87/22/1243308722.db2.gz SKMRIIYMQAPHMM-KBXCAEBGSA-N 1 2 346.479 2.155 20 30 EEEDLO N#Cc1c(F)cccc1NC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001057358776 1243432340 /nfs/dbraw/zinc/43/23/40/1243432340.db2.gz KWWXIDJVWGVQEA-UHFFFAOYSA-N 1 2 327.363 2.066 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C#N)c[nH]2)C3)o1 ZINC001096928491 1243473773 /nfs/dbraw/zinc/47/37/73/1243473773.db2.gz GRZRQISJCIIKMG-DCDXPUDHSA-N 1 2 339.399 2.279 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C#N)c[nH]2)C3)o1 ZINC001096928491 1243473776 /nfs/dbraw/zinc/47/37/76/1243473776.db2.gz GRZRQISJCIIKMG-DCDXPUDHSA-N 1 2 339.399 2.279 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@@H]2C)cn1 ZINC001050470625 1243673152 /nfs/dbraw/zinc/67/31/52/1243673152.db2.gz KFLABDLZSDWDES-KDOFPFPSSA-N 1 2 349.438 2.175 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001097090858 1243690416 /nfs/dbraw/zinc/69/04/16/1243690416.db2.gz TUCLUNHZDIGJSJ-JHJVBQTASA-N 1 2 328.420 2.025 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2C[C@H](Nc3[nH+]cnc4c3cnn4C)C2)CC1 ZINC001097097537 1243696384 /nfs/dbraw/zinc/69/63/84/1243696384.db2.gz KEGWXLFTHPJVGN-JOCQHMNTSA-N 1 2 340.431 2.169 20 30 EEEDLO Cc1nsc(N[C@H]2C[C@@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)c1C#N ZINC001097254721 1243878924 /nfs/dbraw/zinc/87/89/24/1243878924.db2.gz RILFJBIHLBFSBD-RTXFEEFZSA-N 1 2 344.444 2.230 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050580664 1243883212 /nfs/dbraw/zinc/88/32/12/1243883212.db2.gz LJWWBAKNRWEGME-CABCVRRESA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097284612 1243924044 /nfs/dbraw/zinc/92/40/44/1243924044.db2.gz MJLSMQHCQWSHHM-ZBFHGGJFSA-N 1 2 332.448 2.099 20 30 EEEDLO C=CCCOCC(=O)NC[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097310684 1243973519 /nfs/dbraw/zinc/97/35/19/1243973519.db2.gz AACHRADQSIBMRE-QGZVFWFLSA-N 1 2 346.475 2.327 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001097761527 1244557879 /nfs/dbraw/zinc/55/78/79/1244557879.db2.gz HQDNVMGMIUYRIY-QRQLOZEOSA-N 1 2 335.407 2.370 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001097761527 1244557886 /nfs/dbraw/zinc/55/78/86/1244557886.db2.gz HQDNVMGMIUYRIY-QRQLOZEOSA-N 1 2 335.407 2.370 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc([C@H]2CCOC2)c1 ZINC001050988531 1244792103 /nfs/dbraw/zinc/79/21/03/1244792103.db2.gz GNCSPIIRIVXWQW-OALUTQOASA-N 1 2 344.455 2.197 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc([C@H]2CCOC2)c1 ZINC001050988531 1244792111 /nfs/dbraw/zinc/79/21/11/1244792111.db2.gz GNCSPIIRIVXWQW-OALUTQOASA-N 1 2 344.455 2.197 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001052733335 1244861487 /nfs/dbraw/zinc/86/14/87/1244861487.db2.gz GFIPMPCSBHXJPL-SJORKVTESA-N 1 2 346.475 2.230 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001051134436 1245026474 /nfs/dbraw/zinc/02/64/74/1245026474.db2.gz WGKVTRYHJXPYON-LBPRGKRZSA-N 1 2 328.334 2.111 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001051134436 1245026480 /nfs/dbraw/zinc/02/64/80/1245026480.db2.gz WGKVTRYHJXPYON-LBPRGKRZSA-N 1 2 328.334 2.111 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001052859398 1245399669 /nfs/dbraw/zinc/39/96/69/1245399669.db2.gz LHXIGPPGKFQONS-HOCLYGCPSA-N 1 2 346.475 2.104 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cncc2ccccc21 ZINC001051253693 1245443502 /nfs/dbraw/zinc/44/35/02/1245443502.db2.gz XHDNAOTYESRALK-MRXNPFEDSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cncc2ccccc21 ZINC001051253693 1245443506 /nfs/dbraw/zinc/44/35/06/1245443506.db2.gz XHDNAOTYESRALK-MRXNPFEDSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1Cc2c1cccc2Cl ZINC001051264909 1245454691 /nfs/dbraw/zinc/45/46/91/1245454691.db2.gz YXQOQIDJGIKPFW-CZUORRHYSA-N 1 2 334.847 2.373 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1Cc2c1cccc2Cl ZINC001051264909 1245454696 /nfs/dbraw/zinc/45/46/96/1245454696.db2.gz YXQOQIDJGIKPFW-CZUORRHYSA-N 1 2 334.847 2.373 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc(C(C)(C)C)nc1 ZINC001051270263 1245461030 /nfs/dbraw/zinc/46/10/30/1245461030.db2.gz FYNOHWKLINMFDM-MRXNPFEDSA-N 1 2 346.475 2.171 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc(C(C)(C)C)nc1 ZINC001051270263 1245461031 /nfs/dbraw/zinc/46/10/31/1245461031.db2.gz FYNOHWKLINMFDM-MRXNPFEDSA-N 1 2 346.475 2.171 20 30 EEEDLO C#CCOCCC(=O)N1C[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@@]2(C)C1 ZINC001101234924 1245551779 /nfs/dbraw/zinc/55/17/79/1245551779.db2.gz LIDBGLKDIWSPJL-FTMAHLLISA-N 1 2 345.270 2.126 20 30 EEEDLO C#CCOCCC(=O)N1C[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@@]2(C)C1 ZINC001101234924 1245551786 /nfs/dbraw/zinc/55/17/86/1245551786.db2.gz LIDBGLKDIWSPJL-FTMAHLLISA-N 1 2 345.270 2.126 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCCN(CCC)c1[nH+]cnc2c1cnn2C ZINC001101236575 1245554154 /nfs/dbraw/zinc/55/41/54/1245554154.db2.gz ZJIYIDZUJWQJGU-GOSISDBHSA-N 1 2 344.463 2.298 20 30 EEEDLO Cc1nc(N(CCNC(=O)c2c[nH]c(C#N)c2)C2CC2)c(C)c(C)[nH+]1 ZINC001101317796 1245651256 /nfs/dbraw/zinc/65/12/56/1245651256.db2.gz QXQRHBOIXNAQGY-UHFFFAOYSA-N 1 2 338.415 2.000 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCC1CCCC1)c1nccn12 ZINC001101602803 1246013907 /nfs/dbraw/zinc/01/39/07/1246013907.db2.gz PLONXOSBVHWWSS-QGZVFWFLSA-N 1 2 340.471 2.449 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC2(C[NH+](CC#CC)C2)n2ccnc21 ZINC001101635741 1246067768 /nfs/dbraw/zinc/06/77/68/1246067768.db2.gz QWFJMNMTMSSZPD-HNNXBMFYSA-N 1 2 326.444 2.081 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc3cc(C)cn3c1)CCO2 ZINC001053282064 1246137151 /nfs/dbraw/zinc/13/71/51/1246137151.db2.gz HVQLFWXKGROWPI-UHFFFAOYSA-N 1 2 339.439 2.351 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CCCC1(F)F)CCO2 ZINC001053394454 1246277844 /nfs/dbraw/zinc/27/78/44/1246277844.db2.gz XSLDYWKRUCTZFU-AWEZNQCLSA-N 1 2 328.403 2.301 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(F)c(COC)c1)CCO2 ZINC001053421365 1246313840 /nfs/dbraw/zinc/31/38/40/1246313840.db2.gz HTLJXCWDTBBDQI-UHFFFAOYSA-N 1 2 348.418 2.075 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC=CCC3)C2)CC1 ZINC001051980705 1246338707 /nfs/dbraw/zinc/33/87/07/1246338707.db2.gz JBNVPDSUJCWSMW-IAGOWNOFSA-N 1 2 337.895 2.314 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc3sccc3[nH]1)CCO2 ZINC001053496508 1246397313 /nfs/dbraw/zinc/39/73/13/1246397313.db2.gz HAOWVXCWQLEIBM-UHFFFAOYSA-N 1 2 331.441 2.332 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1ccc3c(c1)CCC3)CCO2 ZINC001053529454 1246437921 /nfs/dbraw/zinc/43/79/21/1246437921.db2.gz BBCVGIIBYJWTIY-UHFFFAOYSA-N 1 2 340.467 2.207 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@]3(C)C=CCC3)C2)CC1 ZINC001052067850 1246439866 /nfs/dbraw/zinc/43/98/66/1246439866.db2.gz PTQYSCLGIPTRQN-WMZOPIPTSA-N 1 2 337.895 2.314 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)C2)CC1 ZINC001052110770 1246492498 /nfs/dbraw/zinc/49/24/98/1246492498.db2.gz XALHQKOZQGWNKX-VAMGGRTRSA-N 1 2 345.531 2.445 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc(C3CC3)o1)O2 ZINC001053610235 1246528495 /nfs/dbraw/zinc/52/84/95/1246528495.db2.gz KCLCDONIHOMDKQ-CQSZACIVSA-N 1 2 331.416 2.091 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(F)c(C)cc1F)O2 ZINC001053614649 1246535898 /nfs/dbraw/zinc/53/58/98/1246535898.db2.gz ZRODTYSOFIVVEX-ZDUSSCGKSA-N 1 2 336.382 2.422 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ncsc1C1CC1)O2 ZINC001053661237 1246607482 /nfs/dbraw/zinc/60/74/82/1246607482.db2.gz UHIOCKPAWGWDBD-ZDUSSCGKSA-N 1 2 333.457 2.170 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(F)c(OC)c1)O2 ZINC001053663693 1246609619 /nfs/dbraw/zinc/60/96/19/1246609619.db2.gz ZATORGWPLLEAKP-OAHLLOKOSA-N 1 2 348.418 2.374 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1oc(C3CC3)nc1C)O2 ZINC001053674858 1246626876 /nfs/dbraw/zinc/62/68/76/1246626876.db2.gz XJANSNYRTVWMGG-AWEZNQCLSA-N 1 2 331.416 2.010 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3cnccc3c1)O2 ZINC001053685527 1246645938 /nfs/dbraw/zinc/64/59/38/1246645938.db2.gz RYMAGURZRNZRPD-SFHVURJKSA-N 1 2 337.423 2.384 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1csc(Cl)n1)O2 ZINC001053685728 1246647766 /nfs/dbraw/zinc/64/77/66/1246647766.db2.gz YCIYOAXQXFVYLK-NSHDSACASA-N 1 2 341.864 2.336 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3c([nH]1)CCC3)O2 ZINC001053686478 1246648088 /nfs/dbraw/zinc/64/80/88/1246648088.db2.gz QSIZLNTTZQYQGF-HNNXBMFYSA-N 1 2 329.444 2.043 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3nc(C)ccc3o1)O2 ZINC001053690372 1246657400 /nfs/dbraw/zinc/65/74/00/1246657400.db2.gz ITNFRGRMVLDCBO-AWEZNQCLSA-N 1 2 341.411 2.285 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccccc1N(C)C)O2 ZINC001053703806 1246684683 /nfs/dbraw/zinc/68/46/83/1246684683.db2.gz MZUGKFPLNIMUTE-MRXNPFEDSA-N 1 2 343.471 2.292 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(CCC)s1)CO2 ZINC001053819641 1246840952 /nfs/dbraw/zinc/84/09/52/1246840952.db2.gz DNHCMPNHXMFIPJ-CQSZACIVSA-N 1 2 332.469 2.297 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3cccnc3c1)CO2 ZINC001053959957 1247068866 /nfs/dbraw/zinc/06/88/66/1247068866.db2.gz KUCADPRCCOGNOC-KRWDZBQOSA-N 1 2 337.423 2.384 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3sccc3c1)CO2 ZINC001053970858 1247085201 /nfs/dbraw/zinc/08/52/01/1247085201.db2.gz YBOONWXUABXJCL-MRXNPFEDSA-N 1 2 340.448 2.498 20 30 EEEDLO C=CCCOCC(=O)NC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001097920503 1247153891 /nfs/dbraw/zinc/15/38/91/1247153891.db2.gz XUQFZWAXTBCCGR-ZDUSSCGKSA-N 1 2 332.448 2.173 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc3oc(C)nc31)CO2 ZINC001054018633 1247157022 /nfs/dbraw/zinc/15/70/22/1247157022.db2.gz HCJBMUPMUAPNQY-CQSZACIVSA-N 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C[C@H](CC(=O)N1CCC[C@H](Nc2ccc(C#N)nc2)C1)n1cc[nH+]c1 ZINC001057764020 1247294730 /nfs/dbraw/zinc/29/47/30/1247294730.db2.gz LGJQGHFMTXYRJQ-PBHICJAKSA-N 1 2 338.415 2.204 20 30 EEEDLO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(-c3nnc[nH]3)cc1)C2 ZINC001054223642 1247762469 /nfs/dbraw/zinc/76/24/69/1247762469.db2.gz ACJKBWKKVLTPFJ-FQEVSTJZSA-N 1 2 349.438 2.033 20 30 EEEDLO C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(-c3nnc[nH]3)cc1)C2 ZINC001054223642 1247762476 /nfs/dbraw/zinc/76/24/76/1247762476.db2.gz ACJKBWKKVLTPFJ-FQEVSTJZSA-N 1 2 349.438 2.033 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ncc(C)cc3OC)cc2C1 ZINC001054268064 1247947254 /nfs/dbraw/zinc/94/72/54/1247947254.db2.gz OGRZJRRDFZCBBJ-UHFFFAOYSA-N 1 2 335.407 2.277 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ncc(C)cc3OC)cc2C1 ZINC001054268064 1247947261 /nfs/dbraw/zinc/94/72/61/1247947261.db2.gz OGRZJRRDFZCBBJ-UHFFFAOYSA-N 1 2 335.407 2.277 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccn4ccnc4c3)cc2C1 ZINC001054273394 1247970949 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334.383 2.450 20 30 EEEDLO C=CCCCNC(=S)N1CC2(C1)CC[N@@H+](Cc1nccn1CC)C2 ZINC001277407079 1302906941 /nfs/dbraw/zinc/90/69/41/1302906941.db2.gz WJZCVTKYYPMLBJ-UHFFFAOYSA-N 1 2 347.532 2.251 20 30 EEEDLO C=CCCCNC(=S)N1CC2(C1)CC[N@H+](Cc1nccn1CC)C2 ZINC001277407079 1302906944 /nfs/dbraw/zinc/90/69/44/1302906944.db2.gz WJZCVTKYYPMLBJ-UHFFFAOYSA-N 1 2 347.532 2.251 20 30 EEEDLO C=CCCC(=O)NC1(CNc2ncnc3c2C[N@H+](C)CC3)CCCC1 ZINC001103407342 1302919157 /nfs/dbraw/zinc/91/91/57/1302919157.db2.gz YILGAKHWUXEYRC-UHFFFAOYSA-N 1 2 343.475 2.272 20 30 EEEDLO C=CCCC(=O)NC1(CNc2ncnc3c2C[N@@H+](C)CC3)CCCC1 ZINC001103407342 1302919161 /nfs/dbraw/zinc/91/91/61/1302919161.db2.gz YILGAKHWUXEYRC-UHFFFAOYSA-N 1 2 343.475 2.272 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H](C)CCOC)CC1 ZINC001230306947 1303151178 /nfs/dbraw/zinc/15/11/78/1303151178.db2.gz JLTCPGFJPISRBK-LLVKDONJSA-N 1 2 333.270 2.148 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001230415108 1303204112 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EEEDLO CCn1nc(C)c(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)NC2(C#N)CCC2)c1C ZINC001277469318 1303524848 /nfs/dbraw/zinc/52/48/48/1303524848.db2.gz GJSINYMSIKKMKG-BEFAXECRSA-N 1 2 341.459 2.047 20 30 EEEDLO CCCc1nc(C[NH2+]CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)no1 ZINC001104172652 1303621865 /nfs/dbraw/zinc/62/18/65/1303621865.db2.gz CYMZOWREZYODAY-GDBMZVCRSA-N 1 2 344.459 2.010 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)Cc1ccsc1 ZINC001231177557 1303667359 /nfs/dbraw/zinc/66/73/59/1303667359.db2.gz FGGZPYFNSTWGAL-MRXNPFEDSA-N 1 2 349.500 2.205 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)Cc1ccsc1 ZINC001231177557 1303667363 /nfs/dbraw/zinc/66/73/63/1303667363.db2.gz FGGZPYFNSTWGAL-MRXNPFEDSA-N 1 2 349.500 2.205 20 30 EEEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(F)ccc1OC ZINC001231247796 1303701360 /nfs/dbraw/zinc/70/13/60/1303701360.db2.gz RJQFBUDPIOPFFM-MRXNPFEDSA-N 1 2 336.407 2.070 20 30 EEEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(F)ccc1OC ZINC001231247796 1303701366 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2.377 20 30 EEEDLO C=CCOc1cccc(C[N@@H+]2CCOC[C@@](O)(C(F)(F)F)C2)c1 ZINC001231621029 1303868528 /nfs/dbraw/zinc/86/85/28/1303868528.db2.gz MJOMGAQNFUZYCC-OAHLLOKOSA-N 1 2 331.334 2.377 20 30 EEEDLO N#Cc1cccnc1NC1(CNC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001111821501 1303942074 /nfs/dbraw/zinc/94/20/74/1303942074.db2.gz HWWPJUUTHNLXSY-UHFFFAOYSA-N 1 2 338.415 2.081 20 30 EEEDLO NC(=[NH+]OCCOC[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000782947616 1304159015 /nfs/dbraw/zinc/15/90/15/1304159015.db2.gz CVNUFCOAUJTEDF-CYBMUJFWSA-N 1 2 343.221 2.282 20 30 EEEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CC(N4CCCC4)=NO3)CC2)c1 ZINC001232675612 1304212353 /nfs/dbraw/zinc/21/23/53/1304212353.db2.gz BQMRIPUEUVCKIQ-UHFFFAOYSA-N 1 2 340.427 2.428 20 30 EEEDLO COc1cnc(OC2CC[NH+](Cc3cc(C#N)ccc3O)CC2)nc1 ZINC001232681568 1304214640 /nfs/dbraw/zinc/21/46/40/1304214640.db2.gz QZCKHWRUSWAGOZ-UHFFFAOYSA-N 1 2 340.383 2.106 20 30 EEEDLO COc1ccnc(OC2CC[NH+](Cc3cc(C#N)ccc3O)CC2)n1 ZINC001232682022 1304215700 /nfs/dbraw/zinc/21/57/00/1304215700.db2.gz YQBQADHXQZRJSG-UHFFFAOYSA-N 1 2 340.383 2.106 20 30 EEEDLO C=CCC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001112104571 1304242299 /nfs/dbraw/zinc/24/22/99/1304242299.db2.gz PTJHMODZJSIFRK-IWSPIJDZSA-N 1 2 336.251 2.442 20 30 EEEDLO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001112104571 1304242305 /nfs/dbraw/zinc/24/23/05/1304242305.db2.gz PTJHMODZJSIFRK-IWSPIJDZSA-N 1 2 336.251 2.442 20 30 EEEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2N)C1 ZINC001233382618 1304449891 /nfs/dbraw/zinc/44/98/91/1304449891.db2.gz BVIHPKWSJCJNLW-LBPRGKRZSA-N 1 2 325.359 2.424 20 30 EEEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2N)C1 ZINC001233382618 1304449893 /nfs/dbraw/zinc/44/98/93/1304449893.db2.gz BVIHPKWSJCJNLW-LBPRGKRZSA-N 1 2 325.359 2.424 20 30 EEEDLO CC(C)(C)OC(=O)N1CC2(C1)C[NH+](Cc1ccc(C#N)cc1O)C2 ZINC001233383964 1304451430 /nfs/dbraw/zinc/45/14/30/1304451430.db2.gz BPZWGNVISSYQNM-UHFFFAOYSA-N 1 2 329.400 2.317 20 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ZINC001234196379 1304793855 /nfs/dbraw/zinc/79/38/55/1304793855.db2.gz SIQBOMWKVIWIFF-MRXNPFEDSA-N 1 2 329.444 2.172 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1cc(CO)ccc1F)C(=O)C#CC(C)(C)C ZINC001234216635 1304806188 /nfs/dbraw/zinc/80/61/88/1304806188.db2.gz ZKVAVBUUJSGCLI-QGZVFWFLSA-N 1 2 346.446 2.400 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1cc(CO)ccc1F)C(=O)C#CC(C)(C)C ZINC001234216635 1304806195 /nfs/dbraw/zinc/80/61/95/1304806195.db2.gz ZKVAVBUUJSGCLI-QGZVFWFLSA-N 1 2 346.446 2.400 20 30 EEEDLO CCO[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C1CC1 ZINC001234333977 1304881190 /nfs/dbraw/zinc/88/11/90/1304881190.db2.gz NETPABVWCARTGA-WMLDXEAASA-N 1 2 347.484 2.468 20 30 EEEDLO CCO[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C1CC1 ZINC001234333977 1304881196 /nfs/dbraw/zinc/88/11/96/1304881196.db2.gz NETPABVWCARTGA-WMLDXEAASA-N 1 2 347.484 2.468 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CN(C)C(=O)CC(C)(C)CC)C1=O ZINC001234536573 1304956897 /nfs/dbraw/zinc/95/68/97/1304956897.db2.gz 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CCOC[C@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)Cc2c1cnn2C ZINC001238405018 1306369154 /nfs/dbraw/zinc/36/91/54/1306369154.db2.gz AYWRJDHQOXEKHR-MRXNPFEDSA-N 1 2 340.427 2.436 20 30 EEEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)Cc2c1cnn2C ZINC001238405018 1306369159 /nfs/dbraw/zinc/36/91/59/1306369159.db2.gz AYWRJDHQOXEKHR-MRXNPFEDSA-N 1 2 340.427 2.436 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)C[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001120135962 1309342577 /nfs/dbraw/zinc/34/25/77/1309342577.db2.gz BUDXQMXEJJPZOB-ZDUSSCGKSA-N 1 2 346.479 2.273 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)OC4CCCCC4)C3)C2)cc1C#N ZINC001278316458 1309365916 /nfs/dbraw/zinc/36/59/16/1309365916.db2.gz BIYSPPAWLZSQLI-UHFFFAOYSA-N 1 2 342.443 2.484 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](C)CN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001120776395 1309742621 /nfs/dbraw/zinc/74/26/21/1309742621.db2.gz YWNBZRZAXOGVJV-TZMCWYRMSA-N 1 2 340.431 2.122 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](C)CN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001120776395 1309742628 /nfs/dbraw/zinc/74/26/28/1309742628.db2.gz YWNBZRZAXOGVJV-TZMCWYRMSA-N 1 2 340.431 2.122 20 30 EEEDLO C=CCOCC(=O)NC1CC2(C1)CC([NH2+]CC(F)(F)C(F)F)C2 ZINC001120821091 1309770638 /nfs/dbraw/zinc/77/06/38/1309770638.db2.gz VEJZAYNKDBVLCV-UHFFFAOYSA-N 1 2 338.345 2.106 20 30 EEEDLO C#CCN(CC#CC)c1nnc([C@@H](C)[N@H+](C)Cc2ccccc2)n1C ZINC001121417611 1310009691 /nfs/dbraw/zinc/00/96/91/1310009691.db2.gz BBPCUJMEOAOMMQ-QGZVFWFLSA-N 1 2 335.455 2.471 20 30 EEEDLO C#CCN(CC#CC)c1nnc([C@@H](C)[N@@H+](C)Cc2ccccc2)n1C ZINC001121417611 1310009701 /nfs/dbraw/zinc/00/97/01/1310009701.db2.gz BBPCUJMEOAOMMQ-QGZVFWFLSA-N 1 2 335.455 2.471 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CC[C@H](NC(=O)CCc3[nH]cc[nH+]3)C2)nc1 ZINC001123805481 1310712535 /nfs/dbraw/zinc/71/25/35/1310712535.db2.gz NFGSIPNXWKGTHH-ZFWWWQNUSA-N 1 2 338.415 2.006 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001123885957 1310749428 /nfs/dbraw/zinc/74/94/28/1310749428.db2.gz IUKPWBRQZZBADK-KBPBESRZSA-N 1 2 342.447 2.416 20 30 EEEDLO C#CCOc1ccc(C[N@@H+]2CCCn3nnc(COCC)c3C2)cc1 ZINC001138558514 1314630124 /nfs/dbraw/zinc/63/01/24/1314630124.db2.gz YPEFSSMSKSSQEO-UHFFFAOYSA-N 1 2 340.427 2.233 20 30 EEEDLO C#CCOc1ccc(C[N@H+]2CCCn3nnc(COCC)c3C2)cc1 ZINC001138558514 1314630129 /nfs/dbraw/zinc/63/01/29/1314630129.db2.gz YPEFSSMSKSSQEO-UHFFFAOYSA-N 1 2 340.427 2.233 20 30 EEEDLO C#CCOc1ccc(CN2CCc3onc(Cn4cc[nH+]c4)c3C2)cc1 ZINC001138559356 1314630416 /nfs/dbraw/zinc/63/04/16/1314630416.db2.gz KVTDIDCAGYYFET-UHFFFAOYSA-N 1 2 348.406 2.490 20 30 EEEDLO N#CCSCC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000834649517 1314858344 /nfs/dbraw/zinc/85/83/44/1314858344.db2.gz YIIYBIMSWHJSSU-UHFFFAOYSA-N 1 2 340.452 2.461 20 30 EEEDLO N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000834776791 1314875933 /nfs/dbraw/zinc/87/59/33/1314875933.db2.gz BLOJURYMNNUYJY-HNNXBMFYSA-N 1 2 343.818 2.015 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@H]2C[N@H+](Cc3nc(C)c(C)o3)CCCO2)C1 ZINC001150299753 1316229290 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CC[N@H+](Cc1ccn(-c2ccccc2)n1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152412964 1316668972 /nfs/dbraw/zinc/66/89/72/1316668972.db2.gz GXYZYIMUHPXPHE-JKSUJKDBSA-N 1 2 339.443 2.359 20 30 EEEDLO CC[N@@H+](Cc1ccn(-c2ccccc2)n1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152412964 1316668974 /nfs/dbraw/zinc/66/89/74/1316668974.db2.gz GXYZYIMUHPXPHE-JKSUJKDBSA-N 1 2 339.443 2.359 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(C)sc1C ZINC001153332545 1316812823 /nfs/dbraw/zinc/81/28/23/1316812823.db2.gz XOAPECSARBKQDE-CHWSQXEVSA-N 1 2 337.489 2.125 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(C)sc1C ZINC001153332545 1316812825 /nfs/dbraw/zinc/81/28/25/1316812825.db2.gz XOAPECSARBKQDE-CHWSQXEVSA-N 1 2 337.489 2.125 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@H+](CC)CC(=O)Nc1ccon1 ZINC001154757248 1317298909 /nfs/dbraw/zinc/29/89/09/1317298909.db2.gz NDUNJWFEEHKVHZ-KGLIPLIRSA-N 1 2 336.436 2.042 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccon1 ZINC001154757248 1317298914 /nfs/dbraw/zinc/29/89/14/1317298914.db2.gz NDUNJWFEEHKVHZ-KGLIPLIRSA-N 1 2 336.436 2.042 20 30 EEEDLO C#CCOC[C@@H](O)C[NH2+][C@@](CC)(CCCCCC)C(=O)OCC ZINC001251906256 1317516260 /nfs/dbraw/zinc/51/62/60/1317516260.db2.gz ACNYQIISTOAOSP-WMZOPIPTSA-N 1 2 327.465 2.269 20 30 EEEDLO CCCCCCCC[C@@H](O)C[N@H+]1Cc2nnn(C)c2[C@H](COC)C1 ZINC001252126175 1317559115 /nfs/dbraw/zinc/55/91/15/1317559115.db2.gz MITMNJMNZHSFLN-JKSUJKDBSA-N 1 2 338.496 2.472 20 30 EEEDLO CCCCCCCC[C@@H](O)C[N@@H+]1Cc2nnn(C)c2[C@H](COC)C1 ZINC001252126175 1317559123 /nfs/dbraw/zinc/55/91/23/1317559123.db2.gz MITMNJMNZHSFLN-JKSUJKDBSA-N 1 2 338.496 2.472 20 30 EEEDLO C=CCOC[C@H](O)C[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001252469895 1317608890 /nfs/dbraw/zinc/60/88/90/1317608890.db2.gz DHWISEFRJYKWNJ-CYBMUJFWSA-N 1 2 346.258 2.074 20 30 EEEDLO C=CCOC[C@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(F)F ZINC001252497916 1317617893 /nfs/dbraw/zinc/61/78/93/1317617893.db2.gz BQHJEQCOTDEKTQ-SJORKVTESA-N 1 2 340.414 2.049 20 30 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/nfs/dbraw/zinc/79/21/36/1318792136.db2.gz USBFZKVMKMIFOY-QGZVFWFLSA-N 1 2 329.469 2.320 20 30 EEEDLO O=C(C#CC1CC1)NCCC[NH2+]Cc1noc(C2CCCCC2)n1 ZINC001157705140 1318808572 /nfs/dbraw/zinc/80/85/72/1318808572.db2.gz NHLSMMQTLOSYJR-UHFFFAOYSA-N 1 2 330.432 2.127 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)o1 ZINC001157876386 1318912760 /nfs/dbraw/zinc/91/27/60/1318912760.db2.gz NILSRYLGQUZNDG-CRAIPNDOSA-N 1 2 335.448 2.123 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)o1 ZINC001157876386 1318912762 /nfs/dbraw/zinc/91/27/62/1318912762.db2.gz NILSRYLGQUZNDG-CRAIPNDOSA-N 1 2 335.448 2.123 20 30 EEEDLO CC[C@H]1C[C@@H]([NH2+][C@@H](CS)C(=O)OC)CCN1C(=O)OC(C)(C)C ZINC001257110440 1318945928 /nfs/dbraw/zinc/94/59/28/1318945928.db2.gz XGQIRFXXUUQRIP-AVGNSLFASA-N 1 2 346.493 2.226 20 30 EEEDLO N#Cc1cc(C[NH2+]CCCNC(=O)C(F)C(F)(F)F)ccc1F ZINC001158470879 1319254923 /nfs/dbraw/zinc/25/49/23/1319254923.db2.gz FHYKRAAFNRQCDU-LBPRGKRZSA-N 1 2 335.276 2.194 20 30 EEEDLO N#Cc1cc(C[NH2+]CCCNC(=O)[C@H](F)C(F)(F)F)ccc1F ZINC001158470879 1319254932 /nfs/dbraw/zinc/25/49/32/1319254932.db2.gz FHYKRAAFNRQCDU-LBPRGKRZSA-N 1 2 335.276 2.194 20 30 EEEDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc([C@@H](C#N)c2ccccc2F)nn1 ZINC001158706873 1319389019 /nfs/dbraw/zinc/38/90/19/1319389019.db2.gz DYHIHUKJSFLHGF-ZFWWWQNUSA-N 1 2 341.390 2.014 20 30 EEEDLO C[N@H+]1CCOC[C@@H]1CNc1ccc([C@@H](C#N)c2ccccc2F)nn1 ZINC001158706873 1319389026 /nfs/dbraw/zinc/38/90/26/1319389026.db2.gz DYHIHUKJSFLHGF-ZFWWWQNUSA-N 1 2 341.390 2.014 20 30 EEEDLO C#CCO[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2csc(C)n2)CC1 ZINC001160136502 1320080859 /nfs/dbraw/zinc/08/08/59/1320080859.db2.gz JZCNHHXKIAXPOS-CQSZACIVSA-N 1 2 347.484 2.128 20 30 EEEDLO C#CCO[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2csc(C)n2)CC1 ZINC001160136502 1320080862 /nfs/dbraw/zinc/08/08/62/1320080862.db2.gz JZCNHHXKIAXPOS-CQSZACIVSA-N 1 2 347.484 2.128 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001161972605 1320701915 /nfs/dbraw/zinc/70/19/15/1320701915.db2.gz GYWNTPPKMSPHBU-AWEZNQCLSA-N 1 2 335.473 2.373 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001161972605 1320701920 /nfs/dbraw/zinc/70/19/20/1320701920.db2.gz GYWNTPPKMSPHBU-AWEZNQCLSA-N 1 2 335.473 2.373 20 30 EEEDLO CC(=O)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC001205983930 1323361518 /nfs/dbraw/zinc/36/15/18/1323361518.db2.gz PJDSSCJDJCBKRH-FZKQIMNGSA-N 1 2 345.418 2.393 20 30 EEEDLO CC(=O)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC001205983930 1323361520 /nfs/dbraw/zinc/36/15/20/1323361520.db2.gz PJDSSCJDJCBKRH-FZKQIMNGSA-N 1 2 345.418 2.393 20 30 EEEDLO CS[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001206183146 1323417361 /nfs/dbraw/zinc/41/73/61/1323417361.db2.gz HFHLYJSBYUDZKE-BFQNTYOBSA-N 1 2 335.448 2.385 20 30 EEEDLO CS[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001206183146 1323417364 /nfs/dbraw/zinc/41/73/64/1323417364.db2.gz HFHLYJSBYUDZKE-BFQNTYOBSA-N 1 2 335.448 2.385 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CO[C@@H](C)CC)C1 ZINC001206878692 1323658794 /nfs/dbraw/zinc/65/87/94/1323658794.db2.gz YILRGKOUPVRFAF-KGYLQXTDSA-N 1 2 333.270 2.147 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CO[C@@H](C)CC)C1 ZINC001206878692 1323658801 /nfs/dbraw/zinc/65/88/01/1323658801.db2.gz YILRGKOUPVRFAF-KGYLQXTDSA-N 1 2 333.270 2.147 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001206912241 1323694581 /nfs/dbraw/zinc/69/45/81/1323694581.db2.gz BPCOHNSKOOXZAW-RHSMWYFYSA-N 1 2 345.418 2.004 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001206912241 1323694587 /nfs/dbraw/zinc/69/45/87/1323694587.db2.gz BPCOHNSKOOXZAW-RHSMWYFYSA-N 1 2 345.418 2.004 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccccc2)C1 ZINC001266215057 1323783455 /nfs/dbraw/zinc/78/34/55/1323783455.db2.gz HWJPVMDPNVECCL-KRWDZBQOSA-N 1 2 341.455 2.034 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)c2ccccc2)C1 ZINC001266215057 1323783458 /nfs/dbraw/zinc/78/34/58/1323783458.db2.gz HWJPVMDPNVECCL-KRWDZBQOSA-N 1 2 341.455 2.034 20 30 EEEDLO CN(C)C(=O)c1[nH]nc2c1C[N@H+](Cc1c[nH]c3c1cccc3C#N)CC2 ZINC001279745743 1323989037 /nfs/dbraw/zinc/98/90/37/1323989037.db2.gz KHBMORAGIIYSJP-UHFFFAOYSA-N 1 2 348.410 2.023 20 30 EEEDLO CN(C)C(=O)c1[nH]nc2c1C[N@@H+](Cc1c[nH]c3c1cccc3C#N)CC2 ZINC001279745743 1323989042 /nfs/dbraw/zinc/98/90/42/1323989042.db2.gz KHBMORAGIIYSJP-UHFFFAOYSA-N 1 2 348.410 2.023 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(=O)N1CCC(C)CC1 ZINC001316600803 1324068989 /nfs/dbraw/zinc/06/89/89/1324068989.db2.gz MENJIBVJXJPJHJ-DLBZAZTESA-N 1 2 349.519 2.378 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(=O)N1CCC(C)CC1 ZINC001316600803 1324068994 /nfs/dbraw/zinc/06/89/94/1324068994.db2.gz MENJIBVJXJPJHJ-DLBZAZTESA-N 1 2 349.519 2.378 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CCC[C@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC001208013834 1324265274 /nfs/dbraw/zinc/26/52/74/1324265274.db2.gz KCOAJZFSPPENTE-AWEZNQCLSA-N 1 2 346.475 2.497 20 30 EEEDLO Cc1ncsc1C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001492196710 1331083563 /nfs/dbraw/zinc/08/35/63/1331083563.db2.gz GYIQZTQKVJGUCA-UHFFFAOYSA-N 1 2 332.404 2.324 20 30 EEEDLO Cc1ncsc1C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001492196710 1331083564 /nfs/dbraw/zinc/08/35/64/1331083564.db2.gz GYIQZTQKVJGUCA-UHFFFAOYSA-N 1 2 332.404 2.324 20 30 EEEDLO C[N@H+](CCNC(=O)CCc1cncs1)Cc1cc(C#N)ccc1F ZINC001492425222 1331238271 /nfs/dbraw/zinc/23/82/71/1331238271.db2.gz XLBRTXSTFNADNX-UHFFFAOYSA-N 1 2 346.431 2.335 20 30 EEEDLO C[N@@H+](CCNC(=O)CCc1cncs1)Cc1cc(C#N)ccc1F ZINC001492425222 1331238275 /nfs/dbraw/zinc/23/82/75/1331238275.db2.gz XLBRTXSTFNADNX-UHFFFAOYSA-N 1 2 346.431 2.335 20 30 EEEDLO C#CC[C@H](CCOC)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC001334902798 1336311142 /nfs/dbraw/zinc/31/11/42/1336311142.db2.gz PGJPNPNMZQEWRF-MRXNPFEDSA-N 1 2 326.400 2.100 20 30 EEEDLO C=C(C)CCC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001337131853 1336649084 /nfs/dbraw/zinc/64/90/84/1336649084.db2.gz FVOBRPFOKMEUQV-CQSZACIVSA-N 1 2 325.453 2.010 20 30 EEEDLO C=C(C)CCC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001337131853 1336649086 /nfs/dbraw/zinc/64/90/86/1336649086.db2.gz FVOBRPFOKMEUQV-CQSZACIVSA-N 1 2 325.453 2.010 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001339090718 1336957406 /nfs/dbraw/zinc/95/74/06/1336957406.db2.gz DPAQLLNVNVHXFT-CQSZACIVSA-N 1 2 338.415 2.375 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)CCCF ZINC001340195501 1337135430 /nfs/dbraw/zinc/13/54/30/1337135430.db2.gz LWQOQLLSHYJNEB-CABCVRRESA-N 1 2 337.443 2.186 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)CCCF ZINC001340195501 1337135433 /nfs/dbraw/zinc/13/54/33/1337135433.db2.gz LWQOQLLSHYJNEB-CABCVRRESA-N 1 2 337.443 2.186 20 30 EEEDLO C=CCN(C)c1nnc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC(=C)C ZINC001343947209 1337358381 /nfs/dbraw/zinc/35/83/81/1337358381.db2.gz JESXQFWUTZJFAB-HZPDHXFCSA-N 1 2 331.464 2.402 20 30 EEEDLO C=CCN(C)c1nnc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC(=C)C ZINC001343947209 1337358385 /nfs/dbraw/zinc/35/83/85/1337358385.db2.gz JESXQFWUTZJFAB-HZPDHXFCSA-N 1 2 331.464 2.402 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CCC([NH2+]Cc2nnsc2Cl)CC1 ZINC001200471385 1338350375 /nfs/dbraw/zinc/35/03/75/1338350375.db2.gz GMLNYFHLJIKHGS-UHFFFAOYSA-N 1 2 340.880 2.322 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCCC(F)(F)CC1 ZINC001356153176 1338801569 /nfs/dbraw/zinc/80/15/69/1338801569.db2.gz WQTBPCPTKZSYDF-UHFFFAOYSA-N 1 2 336.390 2.414 20 30 EEEDLO C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589959597 1349080214 /nfs/dbraw/zinc/08/02/14/1349080214.db2.gz ZPCYXPSMTWBDTC-XHDPSFHLSA-N 1 2 346.394 2.262 20 30 EEEDLO N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@H]3[C@H](C(=O)[O-])C3(F)F)CC2)c1 ZINC001601123111 1350215871 /nfs/dbraw/zinc/21/58/71/1350215871.db2.gz XJGGALAYWHHVNC-JKSUJKDBSA-N 1 2 349.381 2.078 20 30 EEEDLO COCc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)no1 ZINC001657149434 1354330869 /nfs/dbraw/zinc/33/08/69/1354330869.db2.gz OLFKYSXNQNKVAC-UHFFFAOYSA-N 1 2 337.383 2.383 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)N[C@H](C)C2CC2)C1 ZINC001490445165 1369209374 /nfs/dbraw/zinc/20/93/74/1369209374.db2.gz DYJDIVNQJQSILH-ZBFHGGJFSA-N 1 2 335.492 2.084 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)N[C@H](C)C2CC2)C1 ZINC001490445165 1369209382 /nfs/dbraw/zinc/20/93/82/1369209382.db2.gz DYJDIVNQJQSILH-ZBFHGGJFSA-N 1 2 335.492 2.084 20 30 EEEDLO C[C@H]1C(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C(=O)N1c1ccccc1 ZINC000853525842 1369346769 /nfs/dbraw/zinc/34/67/69/1369346769.db2.gz IUQIKNTWPQDDFH-GJZGRUSLSA-N 1 2 326.400 2.427 20 30 EEEDLO C[C@H]1C(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C(=O)N1c1ccccc1 ZINC000853525842 1369346774 /nfs/dbraw/zinc/34/67/74/1369346774.db2.gz IUQIKNTWPQDDFH-GJZGRUSLSA-N 1 2 326.400 2.427 20 30 EEEDLO C#CCCCOc1cccnc1N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000853613974 1369358763 /nfs/dbraw/zinc/35/87/63/1369358763.db2.gz PPCKQOKGHUQWCF-SJORKVTESA-N 1 2 329.444 2.173 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C(C)(C)C1 ZINC001069603904 1370197095 /nfs/dbraw/zinc/19/70/95/1370197095.db2.gz XPSRSPODKQGTIB-ZDUSSCGKSA-N 1 2 346.479 2.107 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)C2CCN(c3cc[nH+]c(C)n3)CC2)cn1 ZINC001069648030 1370215733 /nfs/dbraw/zinc/21/57/33/1370215733.db2.gz DEUPWBMPQUBVKA-CQSZACIVSA-N 1 2 349.438 2.196 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)C(F)F)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001071288530 1370457898 /nfs/dbraw/zinc/45/78/98/1370457898.db2.gz NOVMPTUDVYSMRN-ZWNOBZJWSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)C(F)F)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001071288530 1370457902 /nfs/dbraw/zinc/45/79/02/1370457902.db2.gz NOVMPTUDVYSMRN-ZWNOBZJWSA-N 1 2 325.334 2.432 20 30 EEEDLO CC(C)Cc1nnc([C@@H](C)[N@@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)o1 ZINC001072552381 1370739327 /nfs/dbraw/zinc/73/93/27/1370739327.db2.gz OZICHSLBBUNVOT-ZIAGYGMSSA-N 1 2 345.447 2.023 20 30 EEEDLO CC(C)Cc1nnc([C@@H](C)[N@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)o1 ZINC001072552381 1370739338 /nfs/dbraw/zinc/73/93/38/1370739338.db2.gz OZICHSLBBUNVOT-ZIAGYGMSSA-N 1 2 345.447 2.023 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C)c(C)cc2Cl)C1 ZINC001119471170 1371791159 /nfs/dbraw/zinc/79/11/59/1371791159.db2.gz BEUIBNOUHHFMCI-AWEZNQCLSA-N 1 2 347.846 2.109 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C)c(C)cc2Cl)C1 ZINC001119471170 1371791163 /nfs/dbraw/zinc/79/11/63/1371791163.db2.gz BEUIBNOUHHFMCI-AWEZNQCLSA-N 1 2 347.846 2.109 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCOC2(CCC2)C1 ZINC001121624088 1371908726 /nfs/dbraw/zinc/90/87/26/1371908726.db2.gz VSCLKRGREOHDLI-UHFFFAOYSA-N 1 2 331.464 2.209 20 30 EEEDLO C=CCc1cccc(C[N@H+]2CCc3c(nnn3CC)[C@H]2COC)c1O ZINC001138626976 1372405306 /nfs/dbraw/zinc/40/53/06/1372405306.db2.gz UVBPICPQGMJKQT-QGZVFWFLSA-N 1 2 342.443 2.478 20 30 EEEDLO C=CCc1cccc(C[N@@H+]2CCc3c(nnn3CC)[C@H]2COC)c1O ZINC001138626976 1372405311 /nfs/dbraw/zinc/40/53/11/1372405311.db2.gz UVBPICPQGMJKQT-QGZVFWFLSA-N 1 2 342.443 2.478 20 30 EEEDLO CC(C)(C)C#CC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000837373418 1372783214 /nfs/dbraw/zinc/78/32/14/1372783214.db2.gz HZTLLURXSFZOKL-UHFFFAOYSA-N 1 2 344.455 2.063 20 30 EEEDLO C=CC[N@H+](CCc1ccco1)CN1C(=O)[C@]2(CCCO2)[C@H]1C1CC1 ZINC000840041955 1372919208 /nfs/dbraw/zinc/91/92/08/1372919208.db2.gz NBNNXAMWVPWJPE-MJGOQNOKSA-N 1 2 330.428 2.438 20 30 EEEDLO C=CC[N@@H+](CCc1ccco1)CN1C(=O)[C@]2(CCCO2)[C@H]1C1CC1 ZINC000840041955 1372919213 /nfs/dbraw/zinc/91/92/13/1372919213.db2.gz NBNNXAMWVPWJPE-MJGOQNOKSA-N 1 2 330.428 2.438 20 30 EEEDLO C=CC[N@H+](CCc1ccco1)CN1C(=O)[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000840041947 1372919529 /nfs/dbraw/zinc/91/95/29/1372919529.db2.gz NBNNXAMWVPWJPE-HKUYNNGSSA-N 1 2 330.428 2.438 20 30 EEEDLO C=CC[N@@H+](CCc1ccco1)CN1C(=O)[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000840041947 1372919533 /nfs/dbraw/zinc/91/95/33/1372919533.db2.gz NBNNXAMWVPWJPE-HKUYNNGSSA-N 1 2 330.428 2.438 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)CC1CCOCC1 ZINC001341902627 1372936430 /nfs/dbraw/zinc/93/64/30/1372936430.db2.gz JKFPUZSARGOEJR-INIZCTEOSA-N 1 2 333.480 2.484 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)CC1CCOCC1 ZINC001341902627 1372936435 /nfs/dbraw/zinc/93/64/35/1372936435.db2.gz JKFPUZSARGOEJR-INIZCTEOSA-N 1 2 333.480 2.484 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001355886998 1373180303 /nfs/dbraw/zinc/18/03/03/1373180303.db2.gz NYMGMPVKNWFLHW-JYJNAYRXSA-N 1 2 333.480 2.338 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001355886998 1373180305 /nfs/dbraw/zinc/18/03/05/1373180305.db2.gz NYMGMPVKNWFLHW-JYJNAYRXSA-N 1 2 333.480 2.338 20 30 EEEDLO C[C@H](C#N)C(=O)NCC[N@H+](C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC001366522492 1373935522 /nfs/dbraw/zinc/93/55/22/1373935522.db2.gz YQMHVWPRDIUKEE-MNOVXSKESA-N 1 2 333.417 2.067 20 30 EEEDLO C[C@H](C#N)C(=O)NCC[N@@H+](C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC001366522492 1373935525 /nfs/dbraw/zinc/93/55/25/1373935525.db2.gz YQMHVWPRDIUKEE-MNOVXSKESA-N 1 2 333.417 2.067 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnc2c(c1)c(C)nn2C ZINC001372389725 1375977640 /nfs/dbraw/zinc/97/76/40/1375977640.db2.gz MCSSTUNUKRAQSI-UHFFFAOYSA-N 1 2 335.839 2.081 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnc2c(c1)c(C)nn2C ZINC001372389725 1375977644 /nfs/dbraw/zinc/97/76/44/1375977644.db2.gz MCSSTUNUKRAQSI-UHFFFAOYSA-N 1 2 335.839 2.081 20 30 EEEDLO CCC(C)(C)C(=O)NCCN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001376098760 1378296426 /nfs/dbraw/zinc/29/64/26/1378296426.db2.gz RDZNHRKVNHIVKZ-UHFFFAOYSA-N 1 2 348.516 2.290 20 30 EEEDLO Cc1ncc(C(=O)N(C)CCC[N@H+](C)Cc2cc(C#N)ccc2F)[nH]1 ZINC001376909143 1378844703 /nfs/dbraw/zinc/84/47/03/1378844703.db2.gz JZEJAVBXXCTPIX-UHFFFAOYSA-N 1 2 343.406 2.323 20 30 EEEDLO Cc1ncc(C(=O)N(C)CCC[N@@H+](C)Cc2cc(C#N)ccc2F)[nH]1 ZINC001376909143 1378844710 /nfs/dbraw/zinc/84/47/10/1378844710.db2.gz JZEJAVBXXCTPIX-UHFFFAOYSA-N 1 2 343.406 2.323 20 30 EEEDLO C[C@@H](CNC(=O)C(F)C(F)(F)F)C[NH2+]Cc1cccc(C#N)c1 ZINC001391894107 1389692554 /nfs/dbraw/zinc/69/25/54/1389692554.db2.gz KAKJGRWUXDPOON-MFKMUULPSA-N 1 2 331.313 2.301 20 30 EEEDLO C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)C[NH2+]Cc1cccc(C#N)c1 ZINC001391894107 1389692558 /nfs/dbraw/zinc/69/25/58/1389692558.db2.gz KAKJGRWUXDPOON-MFKMUULPSA-N 1 2 331.313 2.301 20 30 EEEDLO CCO[C@H](CC)C(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001392260815 1389934560 /nfs/dbraw/zinc/93/45/60/1389934560.db2.gz LCKNQQCZGKSGEX-QGZVFWFLSA-N 1 2 335.423 2.403 20 30 EEEDLO CCO[C@H](CC)C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001392260815 1389934562 /nfs/dbraw/zinc/93/45/62/1389934562.db2.gz LCKNQQCZGKSGEX-QGZVFWFLSA-N 1 2 335.423 2.403 20 30 EEEDLO C[C@@H](CC#N)N(C)c1nnc(C(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001395911254 1390877320 /nfs/dbraw/zinc/87/73/20/1390877320.db2.gz OFQAMRZOHOYFOE-LSDHHAIUSA-N 1 2 348.495 2.035 20 30 EEEDLO C[C@@H](CC#N)N(C)c1nnc(C(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001395911254 1390877321 /nfs/dbraw/zinc/87/73/21/1390877321.db2.gz OFQAMRZOHOYFOE-LSDHHAIUSA-N 1 2 348.495 2.035 20 30 EEEDLO C=C(Cl)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H](C)C2CCC2)n1 ZINC001397168685 1391118543 /nfs/dbraw/zinc/11/85/43/1391118543.db2.gz JBQDRPKTODKURU-LLVKDONJSA-N 1 2 338.839 2.077 20 30 EEEDLO C[C@@H](C#N)C(=O)N(C)C1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC001398179552 1391775907 /nfs/dbraw/zinc/77/59/07/1391775907.db2.gz AUIWESVODPHNLD-RYUDHWBXSA-N 1 2 331.420 2.090 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)Cc2ccco2)C1 ZINC001402138640 1397788774 /nfs/dbraw/zinc/78/87/74/1397788774.db2.gz RDQDEVHRMPOGEQ-AWEZNQCLSA-N 1 2 327.222 2.311 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)Cc2ccco2)C1 ZINC001402138640 1397788776 /nfs/dbraw/zinc/78/87/76/1397788776.db2.gz RDQDEVHRMPOGEQ-AWEZNQCLSA-N 1 2 327.222 2.311 20 30 EEEDLO C=CCC1(C(=O)N(C)C2C[NH+](C[C@@H]3CC[C@@H](C)O3)C2)CCOCC1 ZINC001754586745 1406934094 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20 30 EEEDLO C[C@@H](CN(C)C(=O)c1cc(C(F)F)[nH]n1)[NH2+]Cc1ccccc1C#N ZINC001423130297 1400439975 /nfs/dbraw/zinc/43/99/75/1400439975.db2.gz WEFFGIJXEYHKTM-NSHDSACASA-N 1 2 347.369 2.469 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)c1cc(C)no1 ZINC001424687085 1401219231 /nfs/dbraw/zinc/21/92/31/1401219231.db2.gz KUTBCIIALFICJG-GFCCVEGCSA-N 1 2 342.237 2.428 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1cc(C)no1 ZINC001424687085 1401219240 /nfs/dbraw/zinc/21/92/40/1401219240.db2.gz KUTBCIIALFICJG-GFCCVEGCSA-N 1 2 342.237 2.428 20 30 EEEDLO C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(F)C(F)(F)F ZINC001755185964 1407191680 /nfs/dbraw/zinc/19/16/80/1407191680.db2.gz AGSLAWDJNOOAJP-MGPQQGTHSA-N 1 2 328.309 2.282 20 30 EEEDLO C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](F)C(F)(F)F ZINC001755185964 1407191685 /nfs/dbraw/zinc/19/16/85/1407191685.db2.gz AGSLAWDJNOOAJP-MGPQQGTHSA-N 1 2 328.309 2.282 20 30 EEEDLO CCn1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)C#CC(C)(C)C)n1 ZINC001755192543 1407201308 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C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001756043092 1408101908 /nfs/dbraw/zinc/10/19/08/1408101908.db2.gz ZQOQDFBTZRKUSI-BEFAXECRSA-N 1 2 348.491 2.492 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H](CCCC)NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001756117206 1408149335 /nfs/dbraw/zinc/14/93/35/1408149335.db2.gz COMFMSTZCOZUCG-INIZCTEOSA-N 1 2 346.475 2.490 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H](C)C1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001756145751 1408176025 /nfs/dbraw/zinc/17/60/25/1408176025.db2.gz HMIXDZKVQVSAGL-UONOGXRCSA-N 1 2 346.475 2.154 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H](C)C1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001756145751 1408176032 /nfs/dbraw/zinc/17/60/32/1408176032.db2.gz HMIXDZKVQVSAGL-UONOGXRCSA-N 1 2 346.475 2.154 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001756228833 1408237144 /nfs/dbraw/zinc/23/71/44/1408237144.db2.gz MSJIYZZSIKEDIX-CVEARBPZSA-N 1 2 346.475 2.436 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001756472979 1408699132 /nfs/dbraw/zinc/69/91/32/1408699132.db2.gz HKQKGJNOFDIJDF-LSDHHAIUSA-N 1 2 346.475 2.011 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001756629107 1409160926 /nfs/dbraw/zinc/16/09/26/1409160926.db2.gz LXEYRJAVBXIHJN-KBPBESRZSA-N 1 2 332.448 2.050 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001757494494 1409743582 /nfs/dbraw/zinc/74/35/82/1409743582.db2.gz PQAQWEAUENOPKH-JKSUJKDBSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001757494491 1409744257 /nfs/dbraw/zinc/74/42/57/1409744257.db2.gz PQAQWEAUENOPKH-CVEARBPZSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@](C)(CNc1cc[nH+]c(C)n1)C1CC1 ZINC001103580559 1410732048 /nfs/dbraw/zinc/73/20/48/1410732048.db2.gz VCJGNSWOYGVUPA-JTDSTZFVSA-N 1 2 344.459 2.463 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC1(CNc2cc[nH+]c(C)n2)CCOCC1 ZINC001112263532 1410882101 /nfs/dbraw/zinc/88/21/01/1410882101.db2.gz YMKNECCIHJWLOQ-CQSZACIVSA-N 1 2 332.448 2.465 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC001032013390 782330853 /nfs/dbraw/zinc/33/08/53/782330853.db2.gz AHALGZVERWMXNL-UHFFFAOYSA-N 1 2 330.819 2.491 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001101355341 782367195 /nfs/dbraw/zinc/36/71/95/782367195.db2.gz ABQRWLMQHZOFQN-CQSZACIVSA-N 1 2 332.448 2.078 20 30 EEEDLO Cc1conc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001098168458 761978682 /nfs/dbraw/zinc/97/86/82/761978682.db2.gz HHMIAIAKYAXEGV-ZACQAIPSSA-N 1 2 336.395 2.390 20 30 EEEDLO Cc1conc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001098168458 761978686 /nfs/dbraw/zinc/97/86/86/761978686.db2.gz HHMIAIAKYAXEGV-ZACQAIPSSA-N 1 2 336.395 2.390 20 30 EEEDLO Cc1nsc(NC[C@@H](C)N(C)C(=O)CCCn2cc[nH+]c2)c1C#N ZINC001104603772 762033574 /nfs/dbraw/zinc/03/35/74/762033574.db2.gz JUTKRISMHIMLLQ-GFCCVEGCSA-N 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ZINC001104437022 760836085 /nfs/dbraw/zinc/83/60/85/760836085.db2.gz BCSVEEYOVFHBQL-UHFFFAOYSA-N 1 2 338.415 2.150 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001098574040 760924753 /nfs/dbraw/zinc/92/47/53/760924753.db2.gz XKHKDEVDCRNMDR-LSDHHAIUSA-N 1 2 346.479 2.109 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)[C@@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001104700255 764780462 /nfs/dbraw/zinc/78/04/62/764780462.db2.gz DGPFEBOSFLDPNJ-LBPRGKRZSA-N 1 2 334.468 2.107 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001104770036 765254269 /nfs/dbraw/zinc/25/42/69/765254269.db2.gz KNZSPNPLBUBZSO-STQMWFEESA-N 1 2 330.436 2.224 20 30 EEEDLO C[C@H](CNc1ncccc1C#N)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001104866138 765465949 /nfs/dbraw/zinc/46/59/49/765465949.db2.gz UESLRZVQBYHIEQ-GFCCVEGCSA-N 1 2 334.383 2.402 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H](C)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001104871356 765473162 /nfs/dbraw/zinc/47/31/62/765473162.db2.gz 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C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)nc[nH]c2=O ZINC001028316179 780703488 /nfs/dbraw/zinc/70/34/88/780703488.db2.gz LAJPAXKSXJIKHT-ZDUSSCGKSA-N 1 2 346.818 2.282 20 30 EEEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccon2)C1 ZINC001087462336 780955066 /nfs/dbraw/zinc/95/50/66/780955066.db2.gz DFPUPAWQGHYCKV-NVXWUHKLSA-N 1 2 327.359 2.035 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ccon2)C1 ZINC001087462336 780955072 /nfs/dbraw/zinc/95/50/72/780955072.db2.gz DFPUPAWQGHYCKV-NVXWUHKLSA-N 1 2 327.359 2.035 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098690520 781205718 /nfs/dbraw/zinc/20/57/18/781205718.db2.gz PAKGJCJQSOCWBN-QFBILLFUSA-N 1 2 346.475 2.156 20 30 EEEDLO CCOCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001131798101 783253180 /nfs/dbraw/zinc/25/31/80/783253180.db2.gz QPVGKBIWIQSULR-XJKSGUPXSA-N 1 2 333.407 2.203 20 30 EEEDLO CCOCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001131798101 783253191 /nfs/dbraw/zinc/25/31/91/783253191.db2.gz QPVGKBIWIQSULR-XJKSGUPXSA-N 1 2 333.407 2.203 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cncc(Cl)c1 ZINC001032052081 783334555 /nfs/dbraw/zinc/33/45/55/783334555.db2.gz UDZFPWRDAPXPPL-UHFFFAOYSA-N 1 2 339.826 2.448 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001131939172 783495790 /nfs/dbraw/zinc/49/57/90/783495790.db2.gz NVJMTSLEFIRUFN-RDJZCZTQSA-N 1 2 348.491 2.180 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001131939172 783495795 /nfs/dbraw/zinc/49/57/95/783495795.db2.gz NVJMTSLEFIRUFN-RDJZCZTQSA-N 1 2 348.491 2.180 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001131947163 783510394 /nfs/dbraw/zinc/51/03/94/783510394.db2.gz QKAZDODKLOOTDD-UKRRQHHQSA-N 1 2 337.851 2.407 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001131947163 783510402 /nfs/dbraw/zinc/51/04/02/783510402.db2.gz QKAZDODKLOOTDD-UKRRQHHQSA-N 1 2 337.851 2.407 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001131947161 783510755 /nfs/dbraw/zinc/51/07/55/783510755.db2.gz QKAZDODKLOOTDD-DZGCQCFKSA-N 1 2 337.851 2.407 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001131947161 783510764 /nfs/dbraw/zinc/51/07/64/783510764.db2.gz QKAZDODKLOOTDD-DZGCQCFKSA-N 1 2 337.851 2.407 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091498924 790987115 /nfs/dbraw/zinc/98/71/15/790987115.db2.gz FUCZHOARZGCWGD-IHRRRGAJSA-N 1 2 342.447 2.272 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)CC1 ZINC000945504079 784225807 /nfs/dbraw/zinc/22/58/07/784225807.db2.gz YGADAZQTMWUOKB-PBHICJAKSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc3ncccc32)C1 ZINC001035468877 784594106 /nfs/dbraw/zinc/59/41/06/784594106.db2.gz HRLJXOBFGDFSHD-HNNXBMFYSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccc3ncccc32)C1 ZINC001035468877 784594107 /nfs/dbraw/zinc/59/41/07/784594107.db2.gz HRLJXOBFGDFSHD-HNNXBMFYSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C(C)C)nc2CC)C1 ZINC001035514436 784616253 /nfs/dbraw/zinc/61/62/53/784616253.db2.gz MXDSNBVDCYSTKT-HNNXBMFYSA-N 1 2 331.460 2.384 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C(C)C)nc2CC)C1 ZINC001035514436 784616258 /nfs/dbraw/zinc/61/62/58/784616258.db2.gz MXDSNBVDCYSTKT-HNNXBMFYSA-N 1 2 331.460 2.384 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnn(CCC)c2C2CC2)C1 ZINC001035574690 784713357 /nfs/dbraw/zinc/71/33/57/784713357.db2.gz ULRWPTFAHBKNJI-MRXNPFEDSA-N 1 2 346.475 2.177 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnn(CCC)c2C2CC2)C1 ZINC001035574690 784713359 /nfs/dbraw/zinc/71/33/59/784713359.db2.gz ULRWPTFAHBKNJI-MRXNPFEDSA-N 1 2 346.475 2.177 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC001035605607 784769430 /nfs/dbraw/zinc/76/94/30/784769430.db2.gz HYNADJPOBCWZJZ-KRWDZBQOSA-N 1 2 337.423 2.136 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC001035605607 784769433 /nfs/dbraw/zinc/76/94/33/784769433.db2.gz HYNADJPOBCWZJZ-KRWDZBQOSA-N 1 2 337.423 2.136 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001035620285 784810038 /nfs/dbraw/zinc/81/00/38/784810038.db2.gz RJFXFXUKBFBDFX-XJKSGUPXSA-N 1 2 334.847 2.373 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001035620285 784810046 /nfs/dbraw/zinc/81/00/46/784810046.db2.gz RJFXFXUKBFBDFX-XJKSGUPXSA-N 1 2 334.847 2.373 20 30 EEEDLO N#CCOc1ccc(CNC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000170804196 791059977 /nfs/dbraw/zinc/05/99/77/791059977.db2.gz CMGDCCIRHXCREF-UHFFFAOYSA-N 1 2 339.399 2.285 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2OCC2CC2)C1 ZINC001035609217 784844977 /nfs/dbraw/zinc/84/49/77/784844977.db2.gz NQKFIDFPIZPJRH-INIZCTEOSA-N 1 2 330.428 2.092 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2OCC2CC2)C1 ZINC001035609217 784844986 /nfs/dbraw/zinc/84/49/86/784844986.db2.gz NQKFIDFPIZPJRH-INIZCTEOSA-N 1 2 330.428 2.092 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnc(C(C)(C)C)s2)C1 ZINC001035617154 784856658 /nfs/dbraw/zinc/85/66/58/784856658.db2.gz QPVYKDYPJVLLJX-ZDUSSCGKSA-N 1 2 337.489 2.447 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnc(C(C)(C)C)s2)C1 ZINC001035617154 784856666 /nfs/dbraw/zinc/85/66/66/784856666.db2.gz QPVYKDYPJVLLJX-ZDUSSCGKSA-N 1 2 337.489 2.447 20 30 EEEDLO Cc1cc(C(=O)N2CCC3(C[NH+](Cc4ccccc4C#N)C3)CC2)[nH]n1 ZINC001035663248 784890563 /nfs/dbraw/zinc/89/05/63/784890563.db2.gz WHGQKZHGEGTWIZ-UHFFFAOYSA-N 1 2 349.438 2.328 20 30 EEEDLO Cc1cc(C(=O)N2CCC3(C[NH+](Cc4ccccc4C#N)C3)CC2)n[nH]1 ZINC001035663248 784890574 /nfs/dbraw/zinc/89/05/74/784890574.db2.gz WHGQKZHGEGTWIZ-UHFFFAOYSA-N 1 2 349.438 2.328 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC3(C[NH+](Cc4ccn(C)n4)C3)CC2)C1 ZINC001035791237 785137350 /nfs/dbraw/zinc/13/73/50/785137350.db2.gz IUGJSRCDGCJJPM-UHFFFAOYSA-N 1 2 328.460 2.201 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc(CC)nn1C)CC2 ZINC001035823266 785181849 /nfs/dbraw/zinc/18/18/49/785181849.db2.gz BTNJRVFYOFKXIA-UHFFFAOYSA-N 1 2 336.867 2.273 20 30 EEEDLO CC(C)(C)c1noc(C[NH2+][C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)n1 ZINC000995797513 785687061 /nfs/dbraw/zinc/68/70/61/785687061.db2.gz KWICFTYWOVXHIN-AWEZNQCLSA-N 1 2 344.459 2.107 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](CCC)C(C)C)nn2)C1 ZINC001107215368 786454699 /nfs/dbraw/zinc/45/46/99/786454699.db2.gz DZICLTGAZTZMEK-KRWDZBQOSA-N 1 2 333.480 2.399 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC/C=C\CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107235613 786584319 /nfs/dbraw/zinc/58/43/19/786584319.db2.gz KGOYSJGNBIYIKT-GEXIGZQTSA-N 1 2 330.432 2.338 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1O ZINC001090543667 786827696 /nfs/dbraw/zinc/82/76/96/786827696.db2.gz SCFTZDSSDDIVAK-HUUCEWRRSA-N 1 2 346.475 2.176 20 30 EEEDLO CN(CCCNc1ncccc1C#N)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001109613354 805752793 /nfs/dbraw/zinc/75/27/93/805752793.db2.gz XJYBDQKJPGSKKU-AWEZNQCLSA-N 1 2 338.415 2.057 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(F)c2Cl)[C@@H](O)C1 ZINC001090588781 787107947 /nfs/dbraw/zinc/10/79/47/787107947.db2.gz GWYNKHVNNNAGEL-STQMWFEESA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(F)c2Cl)[C@@H](O)C1 ZINC001090588781 787107952 /nfs/dbraw/zinc/10/79/52/787107952.db2.gz GWYNKHVNNNAGEL-STQMWFEESA-N 1 2 347.217 2.397 20 30 EEEDLO C=CCC1(C(=O)N(C)CCCNc2nc(N(C)C)nc(C)[nH+]2)CCC1 ZINC001109606247 805758969 /nfs/dbraw/zinc/75/89/69/805758969.db2.gz USORIIZXTFIKRW-UHFFFAOYSA-N 1 2 346.479 2.253 20 30 EEEDLO COC(=O)c1ccc(C(N)=[NH+]c2cccn(-c3cccnc3)c2=O)cc1 ZINC001170989042 787243149 /nfs/dbraw/zinc/24/31/49/787243149.db2.gz JCOQHKLIWNIPPL-UHFFFAOYSA-N 1 2 348.362 2.056 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001062286461 787810340 /nfs/dbraw/zinc/81/03/40/787810340.db2.gz DCQHZGYJLFFRGE-DLBZAZTESA-N 1 2 346.475 2.373 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2Cl)[C@H](O)C1 ZINC001090748670 788034902 /nfs/dbraw/zinc/03/49/02/788034902.db2.gz YLIZVADBIJSGAT-ZIAGYGMSSA-N 1 2 329.227 2.258 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2Cl)[C@H](O)C1 ZINC001090748670 788034906 /nfs/dbraw/zinc/03/49/06/788034906.db2.gz YLIZVADBIJSGAT-ZIAGYGMSSA-N 1 2 329.227 2.258 20 30 EEEDLO [NH2+]=C(Nc1cnc(=O)n(CC(F)(F)F)c1)c1ccc2ccccc2n1 ZINC001171050717 788109905 /nfs/dbraw/zinc/10/99/05/788109905.db2.gz APFDUKGOWHBZKS-UHFFFAOYSA-N 1 2 347.300 2.391 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001060775641 788158083 /nfs/dbraw/zinc/15/80/83/788158083.db2.gz ROJLSFNJHQAEKY-WKILWMFISA-N 1 2 346.475 2.110 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(CC)[nH+]c(C)n2)C1 ZINC001062577443 788235149 /nfs/dbraw/zinc/23/51/49/788235149.db2.gz AHUCGHHCDLAPNJ-HOTGVXAUSA-N 1 2 326.444 2.493 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3o2)[C@@H](O)C1 ZINC001090782712 788237400 /nfs/dbraw/zinc/23/74/00/788237400.db2.gz HCSDWMWOEZZXIH-KGLIPLIRSA-N 1 2 334.803 2.350 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3ccccc3o2)[C@@H](O)C1 ZINC001090782712 788237404 /nfs/dbraw/zinc/23/74/04/788237404.db2.gz HCSDWMWOEZZXIH-KGLIPLIRSA-N 1 2 334.803 2.350 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)CC)CC1 ZINC001109681749 805871016 /nfs/dbraw/zinc/87/10/16/805871016.db2.gz GYMQVZJMJQUKQD-NCOADZHNSA-N 1 2 347.503 2.369 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)CC)CC1 ZINC001109681749 805871023 /nfs/dbraw/zinc/87/10/23/805871023.db2.gz GYMQVZJMJQUKQD-NCOADZHNSA-N 1 2 347.503 2.369 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)CCC(=O)c2c(F)cccc2F)CC1 ZINC000825077988 788431895 /nfs/dbraw/zinc/43/18/95/788431895.db2.gz OXSSHZSNBPSOKS-UHFFFAOYSA-N 1 2 334.366 2.095 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3ccc(C)cc23)[C@@H](O)C1 ZINC001090832887 788467961 /nfs/dbraw/zinc/46/79/61/788467961.db2.gz JIQDEOKKGKIYCB-IRXDYDNUSA-N 1 2 347.846 2.394 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3ccc(C)cc23)[C@@H](O)C1 ZINC001090832887 788467966 /nfs/dbraw/zinc/46/79/66/788467966.db2.gz JIQDEOKKGKIYCB-IRXDYDNUSA-N 1 2 347.846 2.394 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)C[C@H](CC(N)=O)c2ccc(Cl)cc2)CC1 ZINC001143784886 788859573 /nfs/dbraw/zinc/85/95/73/788859573.db2.gz ODLDBGZWTZHAIU-HNNXBMFYSA-N 1 2 349.862 2.019 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001077740807 788880679 /nfs/dbraw/zinc/88/06/79/788880679.db2.gz DHWCQEMEAUDYFH-LBPRGKRZSA-N 1 2 328.416 2.400 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H](F)CC)CC2(CCOCC2)C1 ZINC001099586921 789088660 /nfs/dbraw/zinc/08/86/60/789088660.db2.gz LIAINFLMZCVRHS-UONOGXRCSA-N 1 2 332.847 2.474 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H](F)CC)CC2(CCOCC2)C1 ZINC001099586921 789088669 /nfs/dbraw/zinc/08/86/69/789088669.db2.gz LIAINFLMZCVRHS-UONOGXRCSA-N 1 2 332.847 2.474 20 30 EEEDLO N#Cc1cncc(C[N@H+]2Cc3nccn3C[C@H](COCC3CC3)C2)c1 ZINC001144080787 789220958 /nfs/dbraw/zinc/22/09/58/789220958.db2.gz YSEBMYVXKVHIBF-GOSISDBHSA-N 1 2 337.427 2.208 20 30 EEEDLO N#Cc1cncc(C[N@@H+]2Cc3nccn3C[C@H](COCC3CC3)C2)c1 ZINC001144080787 789220964 /nfs/dbraw/zinc/22/09/64/789220964.db2.gz YSEBMYVXKVHIBF-GOSISDBHSA-N 1 2 337.427 2.208 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1C[N@H+](Cc2nc(C)sc2C)CCCO1 ZINC001149360962 789355566 /nfs/dbraw/zinc/35/55/66/789355566.db2.gz CMOWMRVNTFPCIF-OAHLLOKOSA-N 1 2 337.489 2.433 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1C[N@@H+](Cc2nc(C)sc2C)CCCO1 ZINC001149360962 789355569 /nfs/dbraw/zinc/35/55/69/789355569.db2.gz CMOWMRVNTFPCIF-OAHLLOKOSA-N 1 2 337.489 2.433 20 30 EEEDLO C=C(C(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1)C(F)(F)F ZINC001144201791 789358266 /nfs/dbraw/zinc/35/82/66/789358266.db2.gz QRSRFNRYPRZFCR-CYBMUJFWSA-N 1 2 343.349 2.387 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091015492 789414537 /nfs/dbraw/zinc/41/45/37/789414537.db2.gz IHCYIPYMESVPRB-VHDGCEQUSA-N 1 2 346.479 2.107 20 30 EEEDLO CCOC(=O)[C@@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)C1CCOCC1 ZINC001171192556 789860347 /nfs/dbraw/zinc/86/03/47/789860347.db2.gz OODITCORPWUCDF-KSSFIOAISA-N 1 2 330.428 2.437 20 30 EEEDLO C[C@H](CC(=O)NC1(CNC(=O)C#CC(C)(C)C)CCC1)n1cc[nH+]c1 ZINC001062985544 790103238 /nfs/dbraw/zinc/10/32/38/790103238.db2.gz XEFGSNOCQIBJGU-OAHLLOKOSA-N 1 2 344.459 2.039 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@H+](Cc2cnccc2C)CCO1 ZINC001107974517 791608416 /nfs/dbraw/zinc/60/84/16/791608416.db2.gz VMFSOBFSTVMJBU-IBGZPJMESA-N 1 2 331.460 2.453 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@]1(C)C[N@@H+](Cc2cnccc2C)CCO1 ZINC001107974517 791608422 /nfs/dbraw/zinc/60/84/22/791608422.db2.gz VMFSOBFSTVMJBU-IBGZPJMESA-N 1 2 331.460 2.453 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088962736 791754692 /nfs/dbraw/zinc/75/46/92/791754692.db2.gz UXAYPEMNUDZOHP-WBMJQRKESA-N 1 2 342.374 2.387 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088962736 791754697 /nfs/dbraw/zinc/75/46/97/791754697.db2.gz UXAYPEMNUDZOHP-WBMJQRKESA-N 1 2 342.374 2.387 20 30 EEEDLO CC(C)C#CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nc(C3CC3)no1)C2 ZINC001147483816 791856148 /nfs/dbraw/zinc/85/61/48/791856148.db2.gz YEVCVEXOBYHWGJ-CQSZACIVSA-N 1 2 342.443 2.202 20 30 EEEDLO CC(C)C#CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nc(C3CC3)no1)C2 ZINC001147483816 791856152 /nfs/dbraw/zinc/85/61/52/791856152.db2.gz YEVCVEXOBYHWGJ-CQSZACIVSA-N 1 2 342.443 2.202 20 30 EEEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nc(COC)no1)C2 ZINC001147640236 791895204 /nfs/dbraw/zinc/89/52/04/791895204.db2.gz REJSDXHEAWNQAA-CQSZACIVSA-N 1 2 348.447 2.168 20 30 EEEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nc(COC)no1)C2 ZINC001147640236 791895206 /nfs/dbraw/zinc/89/52/06/791895206.db2.gz REJSDXHEAWNQAA-CQSZACIVSA-N 1 2 348.447 2.168 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2-n2ccnn2)[C@H]1C ZINC001089079985 792148907 /nfs/dbraw/zinc/14/89/07/792148907.db2.gz AERJKFDVKFARIA-HIFRSBDPSA-N 1 2 345.834 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2-n2ccnn2)[C@H]1C ZINC001089079985 792148910 /nfs/dbraw/zinc/14/89/10/792148910.db2.gz AERJKFDVKFARIA-HIFRSBDPSA-N 1 2 345.834 2.212 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C)cn1)C2 ZINC001148110985 792159367 /nfs/dbraw/zinc/15/93/67/792159367.db2.gz KYIIKNVOAKTBEM-UHFFFAOYSA-N 1 2 326.444 2.013 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C)cn1)C2 ZINC001148110985 792159369 /nfs/dbraw/zinc/15/93/69/792159369.db2.gz KYIIKNVOAKTBEM-UHFFFAOYSA-N 1 2 326.444 2.013 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1cn(C(C)C)nn1)C2 ZINC001148131545 792207651 /nfs/dbraw/zinc/20/76/51/792207651.db2.gz VHVVEODVWLVSLP-INIZCTEOSA-N 1 2 345.491 2.496 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1cn(C(C)C)nn1)C2 ZINC001148131545 792207655 /nfs/dbraw/zinc/20/76/55/792207655.db2.gz VHVVEODVWLVSLP-INIZCTEOSA-N 1 2 345.491 2.496 20 30 EEEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@@H+]([C@H](C)c2nnc(C)[nH]2)C3)CCC1 ZINC001148248685 792277204 /nfs/dbraw/zinc/27/72/04/792277204.db2.gz CYVHBJZUTQAPSX-CQSZACIVSA-N 1 2 343.475 2.455 20 30 EEEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@H+]([C@H](C)c2nnc(C)[nH]2)C3)CCC1 ZINC001148248685 792277214 /nfs/dbraw/zinc/27/72/14/792277214.db2.gz CYVHBJZUTQAPSX-CQSZACIVSA-N 1 2 343.475 2.455 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001064139404 792552535 /nfs/dbraw/zinc/55/25/35/792552535.db2.gz DUQLOFNTAPVYRO-BLLLJJGKSA-N 1 2 341.390 2.360 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCC3(CN(C(=O)CC#Cc4ccccc4)C3)C2)o1 ZINC001148812173 792721475 /nfs/dbraw/zinc/72/14/75/792721475.db2.gz PBOWQJYVLOPKHD-UHFFFAOYSA-N 1 2 349.434 2.459 20 30 EEEDLO Cc1cnc(C[N@H+]2CCC3(CN(C(=O)CC#Cc4ccccc4)C3)C2)o1 ZINC001148812173 792721476 /nfs/dbraw/zinc/72/14/76/792721476.db2.gz PBOWQJYVLOPKHD-UHFFFAOYSA-N 1 2 349.434 2.459 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4n[nH]nc43)CCC[C@@H]12 ZINC000992144188 792905003 /nfs/dbraw/zinc/90/50/03/792905003.db2.gz HDRYKSPMTMDSSM-DXCKQFNASA-N 1 2 349.866 2.090 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4n[nH]nc43)CCC[C@@H]12 ZINC000992144188 792905008 /nfs/dbraw/zinc/90/50/08/792905008.db2.gz HDRYKSPMTMDSSM-DXCKQFNASA-N 1 2 349.866 2.090 20 30 EEEDLO Cc1cc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)no1 ZINC001089162367 792953570 /nfs/dbraw/zinc/95/35/70/792953570.db2.gz STTCVYKCQDCNOH-KRWDZBQOSA-N 1 2 341.415 2.310 20 30 EEEDLO Cc1cc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)no1 ZINC001089162367 792953578 /nfs/dbraw/zinc/95/35/78/792953578.db2.gz STTCVYKCQDCNOH-KRWDZBQOSA-N 1 2 341.415 2.310 20 30 EEEDLO Cc1nnc(C[NH+]2CCC3(C[C@H](C)N(C(=O)[C@@H](C)C#N)C3)CC2)s1 ZINC001086908956 792958518 /nfs/dbraw/zinc/95/85/18/792958518.db2.gz LMXLPOAZOSQCSC-STQMWFEESA-N 1 2 347.488 2.209 20 30 EEEDLO C[C@@H]1CC2(CN1C(=O)C#CC1CC1)CC[NH+](Cc1nncs1)CC2 ZINC001086922589 792989975 /nfs/dbraw/zinc/98/99/75/792989975.db2.gz VFWAVHFIJJURGZ-CQSZACIVSA-N 1 2 344.484 2.155 20 30 EEEDLO C#CCCCCC(=O)N1C[C@H]2CCN(c3cc[nH+]c(C)n3)C[C@H]2C1 ZINC001091851070 793324189 /nfs/dbraw/zinc/32/41/89/793324189.db2.gz DGFZJMYJOQZDLZ-SJORKVTESA-N 1 2 326.444 2.263 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001109936937 806245611 /nfs/dbraw/zinc/24/56/11/806245611.db2.gz LIHOBQIBGKSNEC-CRAIPNDOSA-N 1 2 332.448 2.321 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001091984856 793466592 /nfs/dbraw/zinc/46/65/92/793466592.db2.gz RUOATPHWUUTSKG-FMKPAKJESA-N 1 2 332.448 2.076 20 30 EEEDLO C[C@@H]1C[C@@H](Nc2ncccc2C#N)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001064771278 793703707 /nfs/dbraw/zinc/70/37/07/793703707.db2.gz CUYNXZGSQJALTH-HIFRSBDPSA-N 1 2 338.415 2.101 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC13CCCC3)c1nccn12 ZINC001092406741 793882503 /nfs/dbraw/zinc/88/25/03/793882503.db2.gz YJLHPBHJRSDJOK-LSDHHAIUSA-N 1 2 326.444 2.221 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC000999248769 794112228 /nfs/dbraw/zinc/11/22/28/794112228.db2.gz FAPSQQJQTRGRPU-NSHDSACASA-N 1 2 328.869 2.397 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCn2cccc2)s1 ZINC001032699586 794144275 /nfs/dbraw/zinc/14/42/75/794144275.db2.gz DODJXNLQFQRJRO-GJZGRUSLSA-N 1 2 340.452 2.297 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCn2cccc2)s1 ZINC001032699586 794144280 /nfs/dbraw/zinc/14/42/80/794144280.db2.gz DODJXNLQFQRJRO-GJZGRUSLSA-N 1 2 340.452 2.297 20 30 EEEDLO C[C@H](CC(=O)N[C@H](CNc1ccc(C#N)nc1)C1CC1)n1cc[nH+]c1 ZINC001109991896 806343488 /nfs/dbraw/zinc/34/34/88/806343488.db2.gz UUHSZOAPEPQERM-CXAGYDPISA-N 1 2 338.415 2.108 20 30 EEEDLO C[C@@H]1C[N@H+](CC=C(Cl)Cl)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079601054 795008351 /nfs/dbraw/zinc/00/83/51/795008351.db2.gz GBQWBIRVJRVFDO-BXKDBHETSA-N 1 2 327.215 2.255 20 30 EEEDLO C[C@@H]1C[N@@H+](CC=C(Cl)Cl)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079601054 795008358 /nfs/dbraw/zinc/00/83/58/795008358.db2.gz GBQWBIRVJRVFDO-BXKDBHETSA-N 1 2 327.215 2.255 20 30 EEEDLO C=CC(C)(C)CC(=O)N(CC)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001079844425 795275596 /nfs/dbraw/zinc/27/55/96/795275596.db2.gz NMVKYIOJRYBMAJ-UHFFFAOYSA-N 1 2 346.475 2.014 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[C@H]3OC)CC2)C1 ZINC001093549284 795365668 /nfs/dbraw/zinc/36/56/68/795365668.db2.gz UPZQNZGJSQPIAW-QZTJIDSGSA-N 1 2 336.476 2.069 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3csc(C)n3)CC2)C1 ZINC001093565106 795375198 /nfs/dbraw/zinc/37/51/98/795375198.db2.gz IOCGCQARLDYLAK-UHFFFAOYSA-N 1 2 335.473 2.333 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)CC2)C1 ZINC001093578380 795389159 /nfs/dbraw/zinc/38/91/59/795389159.db2.gz ZKFSVJPCGYMVOZ-RBUKOAKNSA-N 1 2 341.455 2.063 20 30 EEEDLO Cc1nc(NCCNC(=O)c2cccc(-n3cc[nH+]c3)c2)ccc1C#N ZINC001093835240 795719213 /nfs/dbraw/zinc/71/92/13/795719213.db2.gz ZMXHEMGFSKCAIV-UHFFFAOYSA-N 1 2 346.394 2.289 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC(N(CC)C(=O)CCc2[nH+]ccn2C)C1 ZINC001080241830 795748976 /nfs/dbraw/zinc/74/89/76/795748976.db2.gz UJGGNEKCGRBHKQ-HNNXBMFYSA-N 1 2 346.475 2.014 20 30 EEEDLO CCc1ncncc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032787547 795825610 /nfs/dbraw/zinc/82/56/10/795825610.db2.gz RBPJMVBYIWAJJC-IRXDYDNUSA-N 1 2 347.422 2.010 20 30 EEEDLO CCc1ncncc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032787547 795825619 /nfs/dbraw/zinc/82/56/19/795825619.db2.gz RBPJMVBYIWAJJC-IRXDYDNUSA-N 1 2 347.422 2.010 20 30 EEEDLO Cc1nc(NCCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)ccc1C#N ZINC001093935681 795829989 /nfs/dbraw/zinc/82/99/89/795829989.db2.gz GCJJKZFWXJFMLN-INIZCTEOSA-N 1 2 340.431 2.274 20 30 EEEDLO C=CCCCC(=O)NCC[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001078099397 795906696 /nfs/dbraw/zinc/90/66/96/795906696.db2.gz HXRYGQGVFBDBNC-HNNXBMFYSA-N 1 2 346.475 2.129 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)oc1C ZINC000993211422 795972495 /nfs/dbraw/zinc/97/24/95/795972495.db2.gz WZOXANUBUZXPOG-IUODEOHRSA-N 1 2 341.415 2.274 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)oc1C ZINC000993211422 795972499 /nfs/dbraw/zinc/97/24/99/795972499.db2.gz WZOXANUBUZXPOG-IUODEOHRSA-N 1 2 341.415 2.274 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3nc(CC)no3)C[C@H]2C)C1 ZINC001080404458 795979090 /nfs/dbraw/zinc/97/90/90/795979090.db2.gz IXBOUDSFZLVFFZ-MGPQQGTHSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3nc(CC)no3)C[C@H]2C)C1 ZINC001080404458 795979092 /nfs/dbraw/zinc/97/90/92/795979092.db2.gz IXBOUDSFZLVFFZ-MGPQQGTHSA-N 1 2 332.448 2.486 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3c(C)cc(C)cc3C)nn2)C1 ZINC001094337058 796111446 /nfs/dbraw/zinc/11/14/46/796111446.db2.gz FJPXQKNSQGRGBP-UHFFFAOYSA-N 1 2 339.443 2.176 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3ccc(C)cc3F)nn2)C1 ZINC001094323024 796130781 /nfs/dbraw/zinc/13/07/81/796130781.db2.gz SRAJNAVUGNGFSC-UHFFFAOYSA-N 1 2 343.406 2.088 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn3cc(OC)ccc23)C1 ZINC001080629910 796263267 /nfs/dbraw/zinc/26/32/67/796263267.db2.gz BJLNPJGZKLPUNI-IAQYHMDHSA-N 1 2 348.834 2.146 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn3cc(OC)ccc23)C1 ZINC001080629910 796263271 /nfs/dbraw/zinc/26/32/71/796263271.db2.gz BJLNPJGZKLPUNI-IAQYHMDHSA-N 1 2 348.834 2.146 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc3ccccc3n2)C1 ZINC001080795153 796408634 /nfs/dbraw/zinc/40/86/34/796408634.db2.gz DJINVDGZIOVUND-MLGOLLRUSA-N 1 2 332.835 2.225 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc3ccccc3n2)C1 ZINC001080795153 796408638 /nfs/dbraw/zinc/40/86/38/796408638.db2.gz DJINVDGZIOVUND-MLGOLLRUSA-N 1 2 332.835 2.225 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]1C ZINC001080851351 796435289 /nfs/dbraw/zinc/43/52/89/796435289.db2.gz FCMOTODGPDYWPT-RHSMWYFYSA-N 1 2 339.464 2.304 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2nccs2)C[C@H]1C ZINC001080851351 796435292 /nfs/dbraw/zinc/43/52/92/796435292.db2.gz FCMOTODGPDYWPT-RHSMWYFYSA-N 1 2 339.464 2.304 20 30 EEEDLO C#Cc1cncc(C(=O)NCCCNc2nc(C)[nH+]c3c2CCCC3)c1 ZINC001094776170 796571911 /nfs/dbraw/zinc/57/19/11/796571911.db2.gz VFMOYALUZFJDNH-UHFFFAOYSA-N 1 2 349.438 2.272 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C3(C)C(C)(C)C3(C)C)CC2=O)C1 ZINC001094820286 796620860 /nfs/dbraw/zinc/62/08/60/796620860.db2.gz HBJPBVCTUKQTKZ-CQSZACIVSA-N 1 2 347.503 2.036 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH2+]C[C@H]2C#N)CC12CCC2 ZINC001171848893 796771203 /nfs/dbraw/zinc/77/12/03/796771203.db2.gz XTFSFLORXFWQLD-LSDHHAIUSA-N 1 2 334.464 2.106 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@H](N2CC[NH2+]C[C@H]2C#N)CC12CCC2 ZINC001171848892 796771244 /nfs/dbraw/zinc/77/12/44/796771244.db2.gz XTFSFLORXFWQLD-HUUCEWRRSA-N 1 2 334.464 2.106 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnc3nccn3c2)[C@H]1C ZINC000993615478 796843261 /nfs/dbraw/zinc/84/32/61/796843261.db2.gz OXSVNCSNRAIOEA-OCCSQVGLSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnc3nccn3c2)[C@H]1C ZINC000993615478 796843265 /nfs/dbraw/zinc/84/32/65/796843265.db2.gz OXSVNCSNRAIOEA-OCCSQVGLSA-N 1 2 333.823 2.065 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000993647305 796870761 /nfs/dbraw/zinc/87/07/61/796870761.db2.gz NHSGTSPBTNMKNV-KDOFPFPSSA-N 1 2 337.427 2.373 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000993647305 796870762 /nfs/dbraw/zinc/87/07/62/796870762.db2.gz NHSGTSPBTNMKNV-KDOFPFPSSA-N 1 2 337.427 2.373 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c(C)nn(C)c3s2)[C@@H]1C ZINC000993658482 796917522 /nfs/dbraw/zinc/91/75/22/796917522.db2.gz SJTUDOCHDRKOCF-GXTWGEPZSA-N 1 2 330.457 2.159 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(C)nn(C)c3s2)[C@@H]1C ZINC000993658482 796917525 /nfs/dbraw/zinc/91/75/25/796917525.db2.gz SJTUDOCHDRKOCF-GXTWGEPZSA-N 1 2 330.457 2.159 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001054059888 796994403 /nfs/dbraw/zinc/99/44/03/796994403.db2.gz ADSYIDUGCDQSRI-VKUJXVDISA-N 1 2 334.463 2.455 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001054059888 796994406 /nfs/dbraw/zinc/99/44/06/796994406.db2.gz ADSYIDUGCDQSRI-VKUJXVDISA-N 1 2 334.463 2.455 20 30 EEEDLO C=C(C)CCC(=O)N1CC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001061023623 797176631 /nfs/dbraw/zinc/17/66/31/797176631.db2.gz YHFDEXYPKREMAX-UHFFFAOYSA-N 1 2 344.459 2.150 20 30 EEEDLO Cc1cc(C)c(Nc2cnn(CC[NH+]3CCOCC3)c2)cc1C#N ZINC001174494914 797770747 /nfs/dbraw/zinc/77/07/47/797770747.db2.gz XRFDWOHENVKICJ-UHFFFAOYSA-N 1 2 325.416 2.447 20 30 EEEDLO COC(=O)c1cc(Nc2ccc(N3CCOCC3)[nH+]c2)ccc1C#N ZINC001174979622 797961796 /nfs/dbraw/zinc/96/17/96/797961796.db2.gz DKLYXRXQIYYHJK-UHFFFAOYSA-N 1 2 338.367 2.320 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)C3CCOCC3)[C@@H]2C1 ZINC001084149018 797999871 /nfs/dbraw/zinc/99/98/71/797999871.db2.gz YDZBLQPUNZYJTE-RTBURBONSA-N 1 2 339.439 2.018 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)C3CCOCC3)[C@@H]2C1 ZINC001084149018 797999874 /nfs/dbraw/zinc/99/98/74/797999874.db2.gz YDZBLQPUNZYJTE-RTBURBONSA-N 1 2 339.439 2.018 20 30 EEEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000154242929 798011701 /nfs/dbraw/zinc/01/17/01/798011701.db2.gz CJSFYRIUSHDRPP-OAHLLOKOSA-N 1 2 348.406 2.479 20 30 EEEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCOC2(CCC2)C1 ZINC000154242929 798011707 /nfs/dbraw/zinc/01/17/07/798011707.db2.gz CJSFYRIUSHDRPP-OAHLLOKOSA-N 1 2 348.406 2.479 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001061093662 798129954 /nfs/dbraw/zinc/12/99/54/798129954.db2.gz KJROBMRCTQJLLZ-OAHLLOKOSA-N 1 2 344.459 2.006 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@@H]2O)C1 ZINC001083756521 798174283 /nfs/dbraw/zinc/17/42/83/798174283.db2.gz XYQIVQXWCCAPRN-CVEARBPZSA-N 1 2 334.847 2.358 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3Cl)C[C@@H]2O)C1 ZINC001083756521 798174289 /nfs/dbraw/zinc/17/42/89/798174289.db2.gz XYQIVQXWCCAPRN-CVEARBPZSA-N 1 2 334.847 2.358 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001089400954 798380825 /nfs/dbraw/zinc/38/08/25/798380825.db2.gz QYQHRSDUMVBICH-STQMWFEESA-N 1 2 334.468 2.298 20 30 EEEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)s2)C[C@@H]1O ZINC001099821946 798419644 /nfs/dbraw/zinc/41/96/44/798419644.db2.gz YRSDALZVBMDCOT-KBPBESRZSA-N 1 2 340.876 2.112 20 30 EEEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)s2)C[C@@H]1O ZINC001099821946 798419647 /nfs/dbraw/zinc/41/96/47/798419647.db2.gz YRSDALZVBMDCOT-KBPBESRZSA-N 1 2 340.876 2.112 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)[nH]3)[C@H]2C1 ZINC001085024129 798617330 /nfs/dbraw/zinc/61/73/30/798617330.db2.gz XIMJBUOTYYRIBO-VKJFTORMSA-N 1 2 331.464 2.138 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)[nH]3)[C@H]2C1 ZINC001085024129 798617333 /nfs/dbraw/zinc/61/73/33/798617333.db2.gz XIMJBUOTYYRIBO-VKJFTORMSA-N 1 2 331.464 2.138 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)CC(C)(C)C)C2)nn1 ZINC001098746387 798654370 /nfs/dbraw/zinc/65/43/70/798654370.db2.gz UQDAYXZQAAOQKS-WBVHZDCISA-N 1 2 345.491 2.237 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CC[C@@H]2OCC[N@H+](CCCCCF)[C@H]2C1 ZINC001177006415 798691683 /nfs/dbraw/zinc/69/16/83/798691683.db2.gz PHCAPEIOFIQSEB-IRXDYDNUSA-N 1 2 338.467 2.477 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CC[C@@H]2OCC[N@@H+](CCCCCF)[C@H]2C1 ZINC001177006415 798691685 /nfs/dbraw/zinc/69/16/85/798691685.db2.gz PHCAPEIOFIQSEB-IRXDYDNUSA-N 1 2 338.467 2.477 20 30 EEEDLO C#CCCOc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](CC)[C@H]3C2)cc1 ZINC001177013256 798695674 /nfs/dbraw/zinc/69/56/74/798695674.db2.gz QJMWYQPEJXGBAX-OALUTQOASA-N 1 2 342.439 2.024 20 30 EEEDLO C#CCCOc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](CC)[C@H]3C2)cc1 ZINC001177013256 798695679 /nfs/dbraw/zinc/69/56/79/798695679.db2.gz QJMWYQPEJXGBAX-OALUTQOASA-N 1 2 342.439 2.024 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@H+](CCOC3CCC3)[C@@H]2C1 ZINC001177024032 798700343 /nfs/dbraw/zinc/70/03/43/798700343.db2.gz DUCNATLUUMYZQU-MSOLQXFVSA-N 1 2 336.476 2.214 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@@H+](CCOC3CCC3)[C@@H]2C1 ZINC001177024032 798700345 /nfs/dbraw/zinc/70/03/45/798700345.db2.gz DUCNATLUUMYZQU-MSOLQXFVSA-N 1 2 336.476 2.214 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(COC)CCCC3)C[C@H]21 ZINC001177029950 798704461 /nfs/dbraw/zinc/70/44/61/798704461.db2.gz KWORSBSAMFLZBM-IAGOWNOFSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(COC)CCCC3)C[C@H]21 ZINC001177029950 798704466 /nfs/dbraw/zinc/70/44/66/798704466.db2.gz KWORSBSAMFLZBM-IAGOWNOFSA-N 1 2 336.476 2.071 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC3(C(F)(F)F)CC3)C[C@H]21 ZINC001177030701 798705651 /nfs/dbraw/zinc/70/56/51/798705651.db2.gz PGIDBHRWQXXIEC-KGLIPLIRSA-N 1 2 344.377 2.044 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC3(C(F)(F)F)CC3)C[C@H]21 ZINC001177030701 798705654 /nfs/dbraw/zinc/70/56/54/798705654.db2.gz PGIDBHRWQXXIEC-KGLIPLIRSA-N 1 2 344.377 2.044 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C ZINC001177083746 798707867 /nfs/dbraw/zinc/70/78/67/798707867.db2.gz FRFRUBLCDCOXEK-AWEZNQCLSA-N 1 2 336.436 2.270 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C ZINC001177083746 798707870 /nfs/dbraw/zinc/70/78/70/798707870.db2.gz FRFRUBLCDCOXEK-AWEZNQCLSA-N 1 2 336.436 2.270 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCC(C)C)C[C@H]21 ZINC001177101733 798750844 /nfs/dbraw/zinc/75/08/44/798750844.db2.gz NYETWEAKDCZQII-QZTJIDSGSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCC(C)C)C[C@H]21 ZINC001177101733 798750850 /nfs/dbraw/zinc/75/08/50/798750850.db2.gz NYETWEAKDCZQII-QZTJIDSGSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC(C)(C)C)C[C@H]21 ZINC001177113399 798757902 /nfs/dbraw/zinc/75/79/02/798757902.db2.gz UEZSCOPSBCWMQP-IAGOWNOFSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC(C)(C)C)C[C@H]21 ZINC001177113399 798757903 /nfs/dbraw/zinc/75/79/03/798757903.db2.gz UEZSCOPSBCWMQP-IAGOWNOFSA-N 1 2 338.492 2.317 20 30 EEEDLO C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)[C@H](C)C2CC2)C1 ZINC001177524954 799005420 /nfs/dbraw/zinc/00/54/20/799005420.db2.gz FOMNZKKHLWUIMQ-QGZVFWFLSA-N 1 2 340.467 2.131 20 30 EEEDLO C=CCn1cccc1C(=O)NC1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC001003030374 799077670 /nfs/dbraw/zinc/07/76/70/799077670.db2.gz PBHSEKNEVAZVGA-UHFFFAOYSA-N 1 2 339.443 2.167 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NCc1cnn2c1C[N@@H+](C(C)C)CC2)OCC ZINC001128376123 799114014 /nfs/dbraw/zinc/11/40/14/799114014.db2.gz DAYCEMXWIPPXOF-QGZVFWFLSA-N 1 2 334.464 2.095 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NCc1cnn2c1C[N@H+](C(C)C)CC2)OCC ZINC001128376123 799114019 /nfs/dbraw/zinc/11/40/19/799114019.db2.gz DAYCEMXWIPPXOF-QGZVFWFLSA-N 1 2 334.464 2.095 20 30 EEEDLO COC1CC(C(=O)NC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)C1 ZINC001003096618 799212365 /nfs/dbraw/zinc/21/23/65/799212365.db2.gz IONFXJLAFCKYMZ-UHFFFAOYSA-N 1 2 345.418 2.203 20 30 EEEDLO C=C(C)CCC(=O)NCC[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC001128409067 799309547 /nfs/dbraw/zinc/30/95/47/799309547.db2.gz RPEVMNZGSBACEN-NSHDSACASA-N 1 2 341.253 2.362 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)C=C(C)C)C2)CC1 ZINC001065683255 799340386 /nfs/dbraw/zinc/34/03/86/799340386.db2.gz XBJDLMIUZHZCBP-MSOLQXFVSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C3(C)CC=CC3)CC2)C1 ZINC001065693580 799371092 /nfs/dbraw/zinc/37/10/92/799371092.db2.gz DTZUFICEPSSIAY-KRWDZBQOSA-N 1 2 345.487 2.054 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C/C=C(\C)C=C)C2)CC1 ZINC001065708659 799402098 /nfs/dbraw/zinc/40/20/98/799402098.db2.gz HHKMVDJPUSYXSR-SMHZUEHJSA-N 1 2 345.487 2.220 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C3=CCCC3)CC2)C1 ZINC001065711512 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N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001108947098 804721547 /nfs/dbraw/zinc/72/15/47/804721547.db2.gz DSMIJVCPQKXHAI-SQNIBIBYSA-N 1 2 339.464 2.016 20 30 EEEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001108947098 804721552 /nfs/dbraw/zinc/72/15/52/804721552.db2.gz DSMIJVCPQKXHAI-SQNIBIBYSA-N 1 2 339.464 2.016 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncoc1C(C)C ZINC001109071182 804906841 /nfs/dbraw/zinc/90/68/41/804906841.db2.gz VBGVNSFJBGQUSO-YCPHGPKFSA-N 1 2 333.432 2.222 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncoc1C(C)C ZINC001109071182 804906845 /nfs/dbraw/zinc/90/68/45/804906845.db2.gz VBGVNSFJBGQUSO-YCPHGPKFSA-N 1 2 333.432 2.222 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(OC)n1 ZINC001109353674 805342344 /nfs/dbraw/zinc/34/23/44/805342344.db2.gz SBXGWGDVGDCCRT-PMPSAXMXSA-N 1 2 330.432 2.063 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(OC)n1 ZINC001109353674 805342350 /nfs/dbraw/zinc/34/23/50/805342350.db2.gz SBXGWGDVGDCCRT-PMPSAXMXSA-N 1 2 330.432 2.063 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCCNc1cccc(F)c1C#N ZINC001109490881 805550511 /nfs/dbraw/zinc/55/05/11/805550511.db2.gz SXQKTEYPSOTONY-UHFFFAOYSA-N 1 2 329.379 2.232 20 30 EEEDLO C#CCOCCC(=O)N1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC001112843833 807417755 /nfs/dbraw/zinc/41/77/55/807417755.db2.gz IPNALNCMKOREHP-UHFFFAOYSA-N 1 2 348.874 2.457 20 30 EEEDLO C[C@@H](CC(=O)NC1CC(CNc2ccc(C#N)nc2)C1)n1cc[nH+]c1 ZINC001112871586 807516827 /nfs/dbraw/zinc/51/68/27/807516827.db2.gz BQDUHMOARSEENN-CBCUQQMYSA-N 1 2 338.415 2.108 20 30 EEEDLO C#CCC1(C(=O)N2CC[NH+](Cc3ccsc3)CC2)CCOCC1 ZINC001112950055 807673934 /nfs/dbraw/zinc/67/39/34/807673934.db2.gz HYPHKWKHRVMIFQ-UHFFFAOYSA-N 1 2 332.469 2.212 20 30 EEEDLO Cc1cc(N[C@H](C)[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)nc(C2CC2)[nH+]1 ZINC001113014748 807845461 /nfs/dbraw/zinc/84/54/61/807845461.db2.gz LDUXDUUDHMHSFU-VXGBXAGGSA-N 1 2 338.415 2.481 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](CC(=C)Cl)C[C@H]2O)CCCC1 ZINC001100145493 807873624 /nfs/dbraw/zinc/87/36/24/807873624.db2.gz LRWDXVQAKRPRTC-HUUCEWRRSA-N 1 2 326.868 2.427 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CC(=C)Cl)C[C@H]2O)CCCC1 ZINC001100145493 807873629 /nfs/dbraw/zinc/87/36/29/807873629.db2.gz LRWDXVQAKRPRTC-HUUCEWRRSA-N 1 2 326.868 2.427 20 30 EEEDLO CCCCCNC(=S)N[NH+]=Cc1ccc(N(C)CCOC)nc1 ZINC000790149779 808445514 /nfs/dbraw/zinc/44/55/14/808445514.db2.gz QAVHJXCSHXIHMH-UHFFFAOYSA-N 1 2 337.493 2.152 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(C3CC3)nc2C)CC1 ZINC001113355948 808795842 /nfs/dbraw/zinc/79/58/42/808795842.db2.gz YIVBYWUHGSZTSO-UHFFFAOYSA-N 1 2 329.444 2.228 20 30 EEEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000790929024 808982408 /nfs/dbraw/zinc/98/24/08/808982408.db2.gz KYJAAGFRRVKDIX-CQSZACIVSA-N 1 2 333.313 2.385 20 30 EEEDLO CCCCCCC[NH+]1CCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC001113532822 809172051 /nfs/dbraw/zinc/17/20/51/809172051.db2.gz GVSMAVADBHQIGY-OAHLLOKOSA-N 1 2 333.480 2.024 20 30 EEEDLO CCCCCCC[NH+]1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC001113532822 809172056 /nfs/dbraw/zinc/17/20/56/809172056.db2.gz GVSMAVADBHQIGY-OAHLLOKOSA-N 1 2 333.480 2.024 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)C(C)(C)c2ccc(F)cc2)CC1 ZINC001113552581 809217994 /nfs/dbraw/zinc/21/79/94/809217994.db2.gz NMUMPVORSGYGDW-UHFFFAOYSA-N 1 2 334.435 2.450 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1cn[nH]c1 ZINC001157596498 809294392 /nfs/dbraw/zinc/29/43/92/809294392.db2.gz CFORFCCLAITZSZ-CYBMUJFWSA-N 1 2 341.253 2.245 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cn[nH]c1 ZINC001157596498 809294400 /nfs/dbraw/zinc/29/44/00/809294400.db2.gz CFORFCCLAITZSZ-CYBMUJFWSA-N 1 2 341.253 2.245 20 30 EEEDLO Cc1nc(N(C)[C@H](C)CNC(=O)C#CC(C)C)c2c([nH+]1)CCCC2 ZINC001113600688 809328458 /nfs/dbraw/zinc/32/84/58/809328458.db2.gz VCNPHBGCPVNLGI-CQSZACIVSA-N 1 2 328.460 2.264 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)C2(C(F)(F)F)CCCC2)CC1 ZINC001113728629 809655325 /nfs/dbraw/zinc/65/53/25/809655325.db2.gz ACJMVNAQFCAKNI-UHFFFAOYSA-N 1 2 334.382 2.456 20 30 EEEDLO C=CCn1cccc1C(=O)NCC[NH2+][C@H](C)c1nnc(CC(C)C)o1 ZINC001129502456 810867885 /nfs/dbraw/zinc/86/78/85/810867885.db2.gz FFAWEDREHLLAGF-CQSZACIVSA-N 1 2 345.447 2.336 20 30 EEEDLO Cc1ccc2[nH]nc(C(=O)NCC[NH2+]CC#Cc3ccccc3)c2c1 ZINC001130786850 812026062 /nfs/dbraw/zinc/02/60/62/812026062.db2.gz TZLINRIWUAVVES-UHFFFAOYSA-N 1 2 332.407 2.242 20 30 EEEDLO N#Cc1ccccc1C[NH2+]CCNC(=O)c1[nH]nc(C2CC2)c1Cl ZINC001130825531 812073154 /nfs/dbraw/zinc/07/31/54/812073154.db2.gz LZFDSDUHUWWBGM-UHFFFAOYSA-N 1 2 343.818 2.332 20 30 EEEDLO C#C[C@H](NC(=O)C[N@@H+](CC)Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000807272813 812168145 /nfs/dbraw/zinc/16/81/45/812168145.db2.gz JIHLURQXSDOWGM-IRXDYDNUSA-N 1 2 334.847 2.459 20 30 EEEDLO C#C[C@H](NC(=O)C[N@H+](CC)Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000807272813 812168151 /nfs/dbraw/zinc/16/81/51/812168151.db2.gz JIHLURQXSDOWGM-IRXDYDNUSA-N 1 2 334.847 2.459 20 30 EEEDLO C[C@H](CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)CC(C)(C)C ZINC001131075986 812374973 /nfs/dbraw/zinc/37/49/73/812374973.db2.gz CVZNYRUYKAZWRM-BZUAXINKSA-N 1 2 345.491 2.290 20 30 EEEDLO CCCCC[C@@H](C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131086661 812379327 /nfs/dbraw/zinc/37/93/27/812379327.db2.gz YPZLLKHWONBXRG-BRWVUGGUSA-N 1 2 345.491 2.434 20 30 EEEDLO C#C[C@H](NC(=O)N1CC[NH+](CCOc2ccccc2)CC1)C(C)(C)C ZINC000808313832 812572878 /nfs/dbraw/zinc/57/28/78/812572878.db2.gz DRAUDRBYPBCRLT-SFHVURJKSA-N 1 2 343.471 2.441 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)O[C@]2(CC[N@H+](Cc3cc(C)on3)C2)C1 ZINC001131645195 813068938 /nfs/dbraw/zinc/06/89/38/813068938.db2.gz CNFSZZGPHTWOFL-YJBOKZPZSA-N 1 2 333.432 2.141 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)O[C@]2(CC[N@@H+](Cc3cc(C)on3)C2)C1 ZINC001131645195 813068947 /nfs/dbraw/zinc/06/89/47/813068947.db2.gz CNFSZZGPHTWOFL-YJBOKZPZSA-N 1 2 333.432 2.141 20 30 EEEDLO C[N@H+](CCNC(=O)CCc1ccoc1)Cc1ccc(C#N)cc1F ZINC001437451158 1089758467 /nfs/dbraw/zinc/75/84/67/1089758467.db2.gz YCKXXZIESAXHQZ-UHFFFAOYSA-N 1 2 329.375 2.471 20 30 EEEDLO C[N@@H+](CCNC(=O)CCc1ccoc1)Cc1ccc(C#N)cc1F ZINC001437451158 1089758480 /nfs/dbraw/zinc/75/84/80/1089758480.db2.gz YCKXXZIESAXHQZ-UHFFFAOYSA-N 1 2 329.375 2.471 20 30 EEEDLO CCCn1cc(C(=O)NCC[N@H+](C)Cc2cc(C#N)ccc2F)cn1 ZINC001437521188 1089939773 /nfs/dbraw/zinc/93/97/73/1089939773.db2.gz JEPUDTZFMONVDT-UHFFFAOYSA-N 1 2 343.406 2.166 20 30 EEEDLO CCCn1cc(C(=O)NCC[N@@H+](C)Cc2cc(C#N)ccc2F)cn1 ZINC001437521188 1089939790 /nfs/dbraw/zinc/93/97/90/1089939790.db2.gz JEPUDTZFMONVDT-UHFFFAOYSA-N 1 2 343.406 2.166 20 30 EEEDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(CNC(=O)[C@H](C)C#N)cc2)n1 ZINC001438447616 1090952900 /nfs/dbraw/zinc/95/29/00/1090952900.db2.gz URCYLWHXGUAYSZ-VXGBXAGGSA-N 1 2 327.388 2.005 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1csc(=O)[nH]1 ZINC001440445902 1093655090 /nfs/dbraw/zinc/65/50/90/1093655090.db2.gz DNOGHELKIIJZLH-UHFFFAOYSA-N 1 2 348.266 2.151 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1csc(=O)[nH]1 ZINC001440445902 1093655095 /nfs/dbraw/zinc/65/50/95/1093655095.db2.gz DNOGHELKIIJZLH-UHFFFAOYSA-N 1 2 348.266 2.151 20 30 EEEDLO CCOCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001441876205 1095997695 /nfs/dbraw/zinc/99/76/95/1095997695.db2.gz RTKLWSBGLLYMQC-CXAGYDPISA-N 1 2 333.407 2.203 20 30 EEEDLO CCOCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001441876205 1095997702 /nfs/dbraw/zinc/99/77/02/1095997702.db2.gz RTKLWSBGLLYMQC-CXAGYDPISA-N 1 2 333.407 2.203 20 30 EEEDLO N#Cc1ccc(C[N@H+](CCNC(=O)c2cccnc2)C2CC2)c(F)c1 ZINC001442979973 1097402523 /nfs/dbraw/zinc/40/25/23/1097402523.db2.gz MBKRWAYEOGMSFO-UHFFFAOYSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccc(C[N@@H+](CCNC(=O)c2cccnc2)C2CC2)c(F)c1 ZINC001442979973 1097402528 /nfs/dbraw/zinc/40/25/28/1097402528.db2.gz MBKRWAYEOGMSFO-UHFFFAOYSA-N 1 2 338.386 2.487 20 30 EEEDLO COCC1(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)CCC1 ZINC001443606523 1098100016 /nfs/dbraw/zinc/10/00/16/1098100016.db2.gz DRGRZZXZMNYJCU-UHFFFAOYSA-N 1 2 345.418 2.062 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001445025003 1100186207 /nfs/dbraw/zinc/18/62/07/1100186207.db2.gz BIOHBQDXNTZCEL-NUJGCVRESA-N 1 2 345.418 2.155 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001445025003 1100186210 /nfs/dbraw/zinc/18/62/10/1100186210.db2.gz BIOHBQDXNTZCEL-NUJGCVRESA-N 1 2 345.418 2.155 20 30 EEEDLO C=C(Cl)CN1Cc2ccccc2C[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001447430581 1102639407 /nfs/dbraw/zinc/63/94/07/1102639407.db2.gz NHPCIKQHIAXVFY-MRXNPFEDSA-N 1 2 344.846 2.248 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@H](O)C(C)C)C1 ZINC001493946727 1103141269 /nfs/dbraw/zinc/14/12/69/1103141269.db2.gz JYOLBKHEJHHWQZ-UONOGXRCSA-N 1 2 347.297 2.225 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](O)C(C)C)C1 ZINC001493946727 1103141275 /nfs/dbraw/zinc/14/12/75/1103141275.db2.gz JYOLBKHEJHHWQZ-UONOGXRCSA-N 1 2 347.297 2.225 20 30 EEEDLO COCC1(C(=O)NCC[N@H+](Cc2ccccc2C#N)C2CC2)CC1 ZINC001493391964 1108060390 /nfs/dbraw/zinc/06/03/90/1108060390.db2.gz OOFPJUOBOIGKNZ-UHFFFAOYSA-N 1 2 327.428 2.065 20 30 EEEDLO COCC1(C(=O)NCC[N@@H+](Cc2ccccc2C#N)C2CC2)CC1 ZINC001493391964 1108060411 /nfs/dbraw/zinc/06/04/11/1108060411.db2.gz OOFPJUOBOIGKNZ-UHFFFAOYSA-N 1 2 327.428 2.065 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccn4cc[nH+]c4c3)C2)nc1 ZINC001476534166 1110630378 /nfs/dbraw/zinc/63/03/78/1110630378.db2.gz WGEPOYWJZCCLOJ-OAHLLOKOSA-N 1 2 348.366 2.286 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N(C)CCn1cccn1 ZINC001524347766 1120070291 /nfs/dbraw/zinc/07/02/91/1120070291.db2.gz VGSQTWZDXRCKKK-UHFFFAOYSA-N 1 2 343.479 2.173 20 30 EEEDLO C[C@H](NC(=O)Nc1ccc(CC#N)cc1Cl)[C@H]1CN(C)CC[N@@H+]1C ZINC001548608275 1124377764 /nfs/dbraw/zinc/37/77/64/1124377764.db2.gz XBWLEEVRXRRDKC-BLLLJJGKSA-N 1 2 349.866 2.162 20 30 EEEDLO C[C@H](NC(=O)Nc1ccc(CC#N)cc1Cl)[C@H]1CN(C)CC[N@H+]1C ZINC001548608275 1124377773 /nfs/dbraw/zinc/37/77/73/1124377773.db2.gz XBWLEEVRXRRDKC-BLLLJJGKSA-N 1 2 349.866 2.162 20 30 EEEDLO C[C@@H](NC(=O)Nc1ccc(CC#N)cc1Cl)[C@H]1CN(C)CC[N@@H+]1C ZINC001548608279 1124378401 /nfs/dbraw/zinc/37/84/01/1124378401.db2.gz XBWLEEVRXRRDKC-MLGOLLRUSA-N 1 2 349.866 2.162 20 30 EEEDLO C[C@@H](NC(=O)Nc1ccc(CC#N)cc1Cl)[C@H]1CN(C)CC[N@H+]1C ZINC001548608279 1124378406 /nfs/dbraw/zinc/37/84/06/1124378406.db2.gz XBWLEEVRXRRDKC-MLGOLLRUSA-N 1 2 349.866 2.162 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(NC(=O)OC(C)(C)C)n1 ZINC000496058890 282128759 /nfs/dbraw/zinc/12/87/59/282128759.db2.gz ZNCVBTDMGGDPEH-QGZVFWFLSA-N 1 2 347.419 2.002 20 30 EEEDLO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)C[C@@H](C#N)CCC#N ZINC000112560035 529895790 /nfs/dbraw/zinc/89/57/90/529895790.db2.gz WTUHGESTJUCZPI-OAHLLOKOSA-N 1 2 349.456 2.234 20 30 EEEDLO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)C[C@@H](C#N)CCC#N ZINC000112560035 529895791 /nfs/dbraw/zinc/89/57/91/529895791.db2.gz WTUHGESTJUCZPI-OAHLLOKOSA-N 1 2 349.456 2.234 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(C)cc2=O)[C@H]1CC ZINC001087613010 781928650 /nfs/dbraw/zinc/92/86/50/781928650.db2.gz QMBDCTNRCFJVRI-LSDHHAIUSA-N 1 2 337.851 2.029 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(C)cc2=O)[C@H]1CC ZINC001087613010 781928653 /nfs/dbraw/zinc/92/86/53/781928653.db2.gz QMBDCTNRCFJVRI-LSDHHAIUSA-N 1 2 337.851 2.029 20 30 EEEDLO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H]3CCC[C@@H]3C#N)C2=O)c1 ZINC000333667251 539804700 /nfs/dbraw/zinc/80/47/00/539804700.db2.gz XNCVWJWBMCQQGN-DQYPLSBCSA-N 1 2 329.400 2.091 20 30 EEEDLO COCC[N@H+](CC(=O)N(C)CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000063753562 201051515 /nfs/dbraw/zinc/05/15/15/201051515.db2.gz IEGUGXVOQZHVKR-UHFFFAOYSA-N 1 2 343.349 2.027 20 30 EEEDLO COCC[N@@H+](CC(=O)N(C)CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000063753562 201051519 /nfs/dbraw/zinc/05/15/19/201051519.db2.gz IEGUGXVOQZHVKR-UHFFFAOYSA-N 1 2 343.349 2.027 20 30 EEEDLO Cn1cc(C[NH+]2CCN(Cc3cnn(C(C)(C)C)c3)CC2)cc1C#N ZINC000191339553 239051836 /nfs/dbraw/zinc/05/18/36/239051836.db2.gz IOLOVNLGAANICF-UHFFFAOYSA-N 1 2 340.475 2.166 20 30 EEEDLO Cn1cc(CN2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)cc1C#N ZINC000191339553 239051842 /nfs/dbraw/zinc/05/18/42/239051842.db2.gz IOLOVNLGAANICF-UHFFFAOYSA-N 1 2 340.475 2.166 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000275661114 201285368 /nfs/dbraw/zinc/28/53/68/201285368.db2.gz DWFAHOMHFQCNND-QUCCMNQESA-N 1 2 346.471 2.093 20 30 EEEDLO CCOC(=O)Nc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1C#N ZINC000193658972 240253381 /nfs/dbraw/zinc/25/33/81/240253381.db2.gz WLRDJOGZUWRFCK-UHFFFAOYSA-N 1 2 327.344 2.421 20 30 EEEDLO CCOC(=O)Nc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1C#N ZINC000193658972 240253384 /nfs/dbraw/zinc/25/33/84/240253384.db2.gz WLRDJOGZUWRFCK-UHFFFAOYSA-N 1 2 327.344 2.421 20 30 EEEDLO C=CCN(C)C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000446704833 242213329 /nfs/dbraw/zinc/21/33/29/242213329.db2.gz FRTBVTHUNYOCRQ-UHFFFAOYSA-N 1 2 336.395 2.185 20 30 EEEDLO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)s1)c1nc(-c2nc[nH]n2)no1 ZINC000129136020 205180666 /nfs/dbraw/zinc/18/06/66/205180666.db2.gz RTDBAMHKHPDNIN-LLVKDONJSA-N 1 2 329.389 2.275 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2nc(C)c(C)s2)CC1 ZINC000157571062 205213272 /nfs/dbraw/zinc/21/32/72/205213272.db2.gz DNWUOCHPBMWMQR-UHFFFAOYSA-N 1 2 336.505 2.307 20 30 EEEDLO Cc1nc(N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)ccc1C#N ZINC000487721950 245606043 /nfs/dbraw/zinc/60/60/43/245606043.db2.gz KYRISMNBLJYRFO-GOSISDBHSA-N 1 2 330.432 2.162 20 30 EEEDLO COc1ccc(CN2CC[NH+](Cc3cc(C)no3)CC2)cc1C#N ZINC000134949864 205431984 /nfs/dbraw/zinc/43/19/84/205431984.db2.gz NZMGTEHTKQZKAY-UHFFFAOYSA-N 1 2 326.400 2.181 20 30 EEEDLO COc1ccc(C[NH+]2CCN(Cc3cc(C)no3)CC2)cc1C#N ZINC000134949864 205431986 /nfs/dbraw/zinc/43/19/86/205431986.db2.gz NZMGTEHTKQZKAY-UHFFFAOYSA-N 1 2 326.400 2.181 20 30 EEEDLO N#Cc1ccc(NC(=O)CSCC[NH+]2CCOCC2)cc1Cl ZINC000160007601 206274969 /nfs/dbraw/zinc/27/49/69/206274969.db2.gz VWSLBZVIVFLYOM-UHFFFAOYSA-N 1 2 339.848 2.216 20 30 EEEDLO Cc1cc(N2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000496113080 247326788 /nfs/dbraw/zinc/32/67/88/247326788.db2.gz DLHBWMNYFYFNQD-OAHLLOKOSA-N 1 2 346.431 2.382 20 30 EEEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000175088253 207091425 /nfs/dbraw/zinc/09/14/25/207091425.db2.gz BHFMXGWHLPXUDZ-AWEZNQCLSA-N 1 2 341.415 2.361 20 30 EEEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000175088253 207091428 /nfs/dbraw/zinc/09/14/28/207091428.db2.gz BHFMXGWHLPXUDZ-AWEZNQCLSA-N 1 2 341.415 2.361 20 30 EEEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000268821466 252270844 /nfs/dbraw/zinc/27/08/44/252270844.db2.gz KBLCHBCKHCQIMU-UHFFFAOYSA-N 1 2 341.346 2.323 20 30 EEEDLO C#CCN(C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000491678154 533081387 /nfs/dbraw/zinc/08/13/87/533081387.db2.gz SICNWGDUQAXTHN-UHFFFAOYSA-N 1 2 335.363 2.437 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2C(C)C)CC1 ZINC000491657277 533159499 /nfs/dbraw/zinc/15/94/99/533159499.db2.gz JPAOBGAMQQFXND-UHFFFAOYSA-N 1 2 329.473 2.267 20 30 EEEDLO C#C[C@@H](CCC)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000491695211 533243262 /nfs/dbraw/zinc/24/32/62/533243262.db2.gz XAEBTJAFDBUITB-ROUUACIJSA-N 1 2 329.444 2.161 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC000459543233 533500106 /nfs/dbraw/zinc/50/01/06/533500106.db2.gz XMRNSNOUBYKILB-UHFFFAOYSA-N 1 2 330.428 2.256 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC000459543233 533500113 /nfs/dbraw/zinc/50/01/13/533500113.db2.gz XMRNSNOUBYKILB-UHFFFAOYSA-N 1 2 330.428 2.256 20 30 EEEDLO Cc1ccc2[nH+]c(CN3CCN(c4ccc(C#N)cn4)CC3)cn2c1 ZINC000052442419 132183709 /nfs/dbraw/zinc/18/37/09/132183709.db2.gz BLJSXJFYMJZVCK-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO Cc1ccc2nc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)cn2c1 ZINC000052442419 132183712 /nfs/dbraw/zinc/18/37/12/132183712.db2.gz BLJSXJFYMJZVCK-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO COc1cc(C[N@H+](C)CC(=O)Nc2cccc(C#N)c2)ccc1O ZINC000080847543 292201026 /nfs/dbraw/zinc/20/10/26/292201026.db2.gz KAGDJPMBWSTNRT-UHFFFAOYSA-N 1 2 325.368 2.343 20 30 EEEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)ccc1O ZINC000080847543 292201030 /nfs/dbraw/zinc/20/10/30/292201030.db2.gz KAGDJPMBWSTNRT-UHFFFAOYSA-N 1 2 325.368 2.343 20 30 EEEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccccc2OC(F)F)C(N)=O)cc1 ZINC000115596085 152033128 /nfs/dbraw/zinc/03/31/28/152033128.db2.gz IXAKKCPOINTNFB-OAHLLOKOSA-N 1 2 331.322 2.476 20 30 EEEDLO CCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101558341 159252556 /nfs/dbraw/zinc/25/25/56/159252556.db2.gz MNPRKOUXANTFKH-AWEZNQCLSA-N 1 2 332.423 2.124 20 30 EEEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1cccnc1 ZINC000119025686 159370584 /nfs/dbraw/zinc/37/05/84/159370584.db2.gz PILCTMAMTFMUQQ-UHFFFAOYSA-N 1 2 346.394 2.209 20 30 EEEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1cccnc1 ZINC000119025686 159370585 /nfs/dbraw/zinc/37/05/85/159370585.db2.gz PILCTMAMTFMUQQ-UHFFFAOYSA-N 1 2 346.394 2.209 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1C#N ZINC000341879274 161020830 /nfs/dbraw/zinc/02/08/30/161020830.db2.gz WQIZVMXWIPHRSF-UHFFFAOYSA-N 1 2 348.472 2.373 20 30 EEEDLO C[S@](=O)c1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1 ZINC000355461688 163197963 /nfs/dbraw/zinc/19/79/63/163197963.db2.gz XJKJXCSNDPJCQX-DEOSSOPVSA-N 1 2 340.452 2.013 20 30 EEEDLO C[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1)c1cccc(C#N)c1 ZINC000360470041 164316729 /nfs/dbraw/zinc/31/67/29/164316729.db2.gz QQNKQHZIGXAVSJ-MAUKXSAKSA-N 1 2 349.438 2.185 20 30 EEEDLO C[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1)c1cccc(C#N)c1 ZINC000360470041 164316730 /nfs/dbraw/zinc/31/67/30/164316730.db2.gz QQNKQHZIGXAVSJ-MAUKXSAKSA-N 1 2 349.438 2.185 20 30 EEEDLO C[C@@H](C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1)c1cccc(C#N)c1 ZINC000360727885 164370511 /nfs/dbraw/zinc/37/05/11/164370511.db2.gz IHJPIKPGZILFNN-BEFAXECRSA-N 1 2 341.455 2.231 20 30 EEEDLO C[C@@H](C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1)c1cccc(C#N)c1 ZINC000360727885 164370513 /nfs/dbraw/zinc/37/05/13/164370513.db2.gz IHJPIKPGZILFNN-BEFAXECRSA-N 1 2 341.455 2.231 20 30 EEEDLO CC(C)c1ncc(C[N@H+](C)CC(=O)NCc2ccc(C#N)cc2)cn1 ZINC000440493123 270020662 /nfs/dbraw/zinc/02/06/62/270020662.db2.gz YYLWBJHOTWJBKZ-UHFFFAOYSA-N 1 2 337.427 2.220 20 30 EEEDLO CC(C)c1ncc(C[N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)cn1 ZINC000440493123 270020663 /nfs/dbraw/zinc/02/06/63/270020663.db2.gz YYLWBJHOTWJBKZ-UHFFFAOYSA-N 1 2 337.427 2.220 20 30 EEEDLO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000295721887 266254887 /nfs/dbraw/zinc/25/48/87/266254887.db2.gz VJKKUJDYZSUCTM-LFPIHBKWSA-N 1 2 348.468 2.395 20 30 EEEDLO COC(=O)c1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cs1 ZINC000411171535 266662172 /nfs/dbraw/zinc/66/21/72/266662172.db2.gz ZWECCNLOPPYOHU-UHFFFAOYSA-N 1 2 342.424 2.124 20 30 EEEDLO C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000325302525 267241646 /nfs/dbraw/zinc/24/16/46/267241646.db2.gz NUHUWWGIFDWGSV-MAUKXSAKSA-N 1 2 326.444 2.445 20 30 EEEDLO C[C@H]1CN2CCCC[C@@H]2C[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000325302525 267241649 /nfs/dbraw/zinc/24/16/49/267241649.db2.gz NUHUWWGIFDWGSV-MAUKXSAKSA-N 1 2 326.444 2.445 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCO[C@H]4CCC[C@H]43)C2=O)cc1 ZINC000280482107 268110831 /nfs/dbraw/zinc/11/08/31/268110831.db2.gz AFWBPJGZDRLIFW-KURKYZTESA-N 1 2 325.412 2.307 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCO[C@H]4CCC[C@H]43)C2=O)cc1 ZINC000280482107 268110833 /nfs/dbraw/zinc/11/08/33/268110833.db2.gz AFWBPJGZDRLIFW-KURKYZTESA-N 1 2 325.412 2.307 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000413023278 268220359 /nfs/dbraw/zinc/22/03/59/268220359.db2.gz ALVQTKIVUHLPHL-UHFFFAOYSA-N 1 2 341.346 2.323 20 30 EEEDLO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)no1 ZINC000371949165 280347504 /nfs/dbraw/zinc/34/75/04/280347504.db2.gz ULPMFCKOGHCPCV-UHFFFAOYSA-N 1 2 342.374 2.388 20 30 EEEDLO N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000131844376 294971388 /nfs/dbraw/zinc/97/13/88/294971388.db2.gz LQOZUDAPIAQFTO-MRXNPFEDSA-N 1 2 349.438 2.056 20 30 EEEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2ccc(Cl)cc2)c1=O ZINC000570867218 319705232 /nfs/dbraw/zinc/70/52/32/319705232.db2.gz VNGZFDYYJXKRRQ-UHFFFAOYSA-N 1 2 343.814 2.254 20 30 EEEDLO CCN1CCN(C(=O)Nc2ccc(C#N)c(F)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000570977942 319715260 /nfs/dbraw/zinc/71/52/60/319715260.db2.gz IBABPHRPURTDAT-OAHLLOKOSA-N 1 2 342.378 2.331 20 30 EEEDLO CCN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000581989542 324356001 /nfs/dbraw/zinc/35/60/01/324356001.db2.gz SYXUOKPEWVQWEW-KSZLIROESA-N 1 2 349.438 2.290 20 30 EEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000328688874 465099662 /nfs/dbraw/zinc/09/96/62/465099662.db2.gz QDRBHQBNHQUCTF-XQLPTFJDSA-N 1 2 330.432 2.222 20 30 EEEDLO Cc1nc([C@@H]2CCCN2C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)no1 ZINC000328763671 465123197 /nfs/dbraw/zinc/12/31/97/465123197.db2.gz ZONRLCHJAPYDTG-KBPBESRZSA-N 1 2 342.403 2.103 20 30 EEEDLO CC[C@@H]1C[N@H+](CCNC(=O)CSCc2ccc(C#N)cc2)CCO1 ZINC000347621512 465127911 /nfs/dbraw/zinc/12/79/11/465127911.db2.gz KDAJAKFMXRHDEC-QGZVFWFLSA-N 1 2 347.484 2.018 20 30 EEEDLO CC[C@@H]1C[N@@H+](CCNC(=O)CSCc2ccc(C#N)cc2)CCO1 ZINC000347621512 465127914 /nfs/dbraw/zinc/12/79/14/465127914.db2.gz KDAJAKFMXRHDEC-QGZVFWFLSA-N 1 2 347.484 2.018 20 30 EEEDLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328938289 465175280 /nfs/dbraw/zinc/17/52/80/465175280.db2.gz DIERTGDKCFDMHN-OIISXLGYSA-N 1 2 344.459 2.185 20 30 EEEDLO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328938289 465175287 /nfs/dbraw/zinc/17/52/87/465175287.db2.gz DIERTGDKCFDMHN-OIISXLGYSA-N 1 2 344.459 2.185 20 30 EEEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1=O ZINC000337076209 465180014 /nfs/dbraw/zinc/18/00/14/465180014.db2.gz QRPXQRJBIQLKCJ-HZPDHXFCSA-N 1 2 349.862 2.188 20 30 EEEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000328989094 465194571 /nfs/dbraw/zinc/19/45/71/465194571.db2.gz FDQQQVXZUVSXPU-KRWDZBQOSA-N 1 2 345.443 2.234 20 30 EEEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000328989094 465194574 /nfs/dbraw/zinc/19/45/74/465194574.db2.gz FDQQQVXZUVSXPU-KRWDZBQOSA-N 1 2 345.443 2.234 20 30 EEEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000297452402 465256554 /nfs/dbraw/zinc/25/65/54/465256554.db2.gz JKUWRJDEDZHBQP-AWEZNQCLSA-N 1 2 346.862 2.345 20 30 EEEDLO COCC1(C#N)CCN(C(=O)c2ccc3[nH+]c(C)n(C)c3c2)CC1 ZINC000341831104 465265561 /nfs/dbraw/zinc/26/55/61/465265561.db2.gz SYAJKSXLHYNDPK-UHFFFAOYSA-N 1 2 326.400 2.274 20 30 EEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cnc2c(c1)CCCC2 ZINC000329240518 465277278 /nfs/dbraw/zinc/27/72/78/465277278.db2.gz MTLHHBBQFUFJIE-RHSMWYFYSA-N 1 2 344.459 2.301 20 30 EEEDLO Cc1cn2cc(NC(=O)N3CCOC[C@H]3[C@H]3CCCO3)ccc2[nH+]1 ZINC000329254773 465281510 /nfs/dbraw/zinc/28/15/10/465281510.db2.gz AKPOCTNEZWHVNJ-LSDHHAIUSA-N 1 2 330.388 2.068 20 30 EEEDLO C[N@H+](CC(=O)NCC#N)Cc1cc(Br)ccc1Cl ZINC000494248097 468039259 /nfs/dbraw/zinc/03/92/59/468039259.db2.gz PCRTVQXEACDHEB-UHFFFAOYSA-N 1 2 330.613 2.174 20 30 EEEDLO C[N@@H+](CC(=O)NCC#N)Cc1cc(Br)ccc1Cl ZINC000494248097 468039261 /nfs/dbraw/zinc/03/92/61/468039261.db2.gz PCRTVQXEACDHEB-UHFFFAOYSA-N 1 2 330.613 2.174 20 30 EEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000491020624 468287258 /nfs/dbraw/zinc/28/72/58/468287258.db2.gz HRUHALSKQRIACR-MRXNPFEDSA-N 1 2 326.375 2.182 20 30 EEEDLO C=C(C)COc1cccc(N2C(=O)N[C@H](Cc3c[nH+]c[nH]3)C2=O)c1 ZINC000359290086 465394547 /nfs/dbraw/zinc/39/45/47/465394547.db2.gz BTBLRPCPVOIPOO-OAHLLOKOSA-N 1 2 326.356 2.032 20 30 EEEDLO CN1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC1=O ZINC000127401247 462548442 /nfs/dbraw/zinc/54/84/42/462548442.db2.gz PKUDFLWVANFECM-UHFFFAOYSA-N 1 2 335.407 2.411 20 30 EEEDLO CN1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC1=O ZINC000127401247 462548447 /nfs/dbraw/zinc/54/84/47/462548447.db2.gz PKUDFLWVANFECM-UHFFFAOYSA-N 1 2 335.407 2.411 20 30 EEEDLO Cc1cc(C(N)=[NH+]OCC(=O)N(C)Cc2cccs2)ccc1F ZINC000063457631 462646282 /nfs/dbraw/zinc/64/62/82/462646282.db2.gz XUULOMQICPRMIO-UHFFFAOYSA-N 1 2 335.404 2.491 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000063754404 462668533 /nfs/dbraw/zinc/66/85/33/462668533.db2.gz AHROGJTZGRQCHR-UHFFFAOYSA-N 1 2 327.428 2.207 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000063754404 462668537 /nfs/dbraw/zinc/66/85/37/462668537.db2.gz AHROGJTZGRQCHR-UHFFFAOYSA-N 1 2 327.428 2.207 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCc4ccsc4C3)C2=O)cc1 ZINC000535507822 468312145 /nfs/dbraw/zinc/31/21/45/468312145.db2.gz NAYQFCZPWBKJJM-HNNXBMFYSA-N 1 2 337.404 2.310 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCc4ccsc4C3)C2=O)cc1 ZINC000535507822 468312149 /nfs/dbraw/zinc/31/21/49/468312149.db2.gz NAYQFCZPWBKJJM-HNNXBMFYSA-N 1 2 337.404 2.310 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@H]1CCc2ccccc21 ZINC000115352922 462706526 /nfs/dbraw/zinc/70/65/26/462706526.db2.gz LHEOOHZOQZVHKC-GOSISDBHSA-N 1 2 341.455 2.181 20 30 EEEDLO COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075553334 462729728 /nfs/dbraw/zinc/72/97/28/462729728.db2.gz LBHWSKGDXNRVSH-CQSZACIVSA-N 1 2 340.383 2.075 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089968905 462756598 /nfs/dbraw/zinc/75/65/98/462756598.db2.gz RMEOUWMKMLIGDK-LLVKDONJSA-N 1 2 341.333 2.274 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2cc(NC(=O)C(C)C)ccc2Cl)CC1 ZINC000076022626 462788481 /nfs/dbraw/zinc/78/84/81/462788481.db2.gz XORZUHPIAKGDSQ-UHFFFAOYSA-N 1 2 347.846 2.326 20 30 EEEDLO C#CCNC(=O)CC[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000491201923 468321620 /nfs/dbraw/zinc/32/16/20/468321620.db2.gz KWVQJXDGCRDNJU-OAHLLOKOSA-N 1 2 340.345 2.218 20 30 EEEDLO C#CCNC(=O)CC[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000491201923 468321625 /nfs/dbraw/zinc/32/16/25/468321625.db2.gz KWVQJXDGCRDNJU-OAHLLOKOSA-N 1 2 340.345 2.218 20 30 EEEDLO CCCC[N@H+](CC(N)=O)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000048048333 462853779 /nfs/dbraw/zinc/85/37/79/462853779.db2.gz KPXTVJUYXFKZIK-UHFFFAOYSA-N 1 2 344.459 2.138 20 30 EEEDLO CCCC[N@@H+](CC(N)=O)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000048048333 462853782 /nfs/dbraw/zinc/85/37/82/462853782.db2.gz KPXTVJUYXFKZIK-UHFFFAOYSA-N 1 2 344.459 2.138 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000076430708 462860930 /nfs/dbraw/zinc/86/09/30/462860930.db2.gz DDZOGTZTBBEYTB-UHFFFAOYSA-N 1 2 334.851 2.224 20 30 EEEDLO COC(=O)c1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c[nH]1 ZINC000155257423 462866196 /nfs/dbraw/zinc/86/61/96/462866196.db2.gz UVJNELABGYZVCL-SFHVURJKSA-N 1 2 338.411 2.184 20 30 EEEDLO Cn1c(C#N)ccc1C(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000590759297 468330735 /nfs/dbraw/zinc/33/07/35/468330735.db2.gz YIKLRNYEUQTLKU-OAHLLOKOSA-N 1 2 328.803 2.337 20 30 EEEDLO N#CCOc1cccc(CC(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000134357420 463029279 /nfs/dbraw/zinc/02/92/79/463029279.db2.gz YXJBAWPBJFNUIH-UHFFFAOYSA-N 1 2 338.411 2.023 20 30 EEEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000134545320 463053098 /nfs/dbraw/zinc/05/30/98/463053098.db2.gz VTGAIWXVOGIWPS-UHFFFAOYSA-N 1 2 338.820 2.119 20 30 EEEDLO CN(CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000052856942 463113303 /nfs/dbraw/zinc/11/33/03/463113303.db2.gz YJBNPBWYFGVHOR-UHFFFAOYSA-N 1 2 348.450 2.339 20 30 EEEDLO CC[N@@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C[C@H](C)C#N ZINC000157635975 463151557 /nfs/dbraw/zinc/15/15/57/463151557.db2.gz WAMJOCFWRWCXMG-OAHLLOKOSA-N 1 2 348.878 2.470 20 30 EEEDLO CC[N@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C[C@H](C)C#N ZINC000157635975 463151563 /nfs/dbraw/zinc/15/15/63/463151563.db2.gz WAMJOCFWRWCXMG-OAHLLOKOSA-N 1 2 348.878 2.470 20 30 EEEDLO COC[C@@H](C1CC1)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000136533894 463245139 /nfs/dbraw/zinc/24/51/39/463245139.db2.gz JFKVRDZJXPDCPQ-HNNXBMFYSA-N 1 2 340.427 2.071 20 30 EEEDLO CCN(CC)c1ccc(CNS(=O)(=O)c2ccccc2C#N)c[nH+]1 ZINC000123231991 463326914 /nfs/dbraw/zinc/32/69/14/463326914.db2.gz VDLMWWPZYDPGAV-UHFFFAOYSA-N 1 2 344.440 2.278 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000151475247 463536838 /nfs/dbraw/zinc/53/68/38/463536838.db2.gz QBDZQQIDZGCZSB-QGZVFWFLSA-N 1 2 339.395 2.441 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000151475247 463536839 /nfs/dbraw/zinc/53/68/39/463536839.db2.gz QBDZQQIDZGCZSB-QGZVFWFLSA-N 1 2 339.395 2.441 20 30 EEEDLO CCCCCNC(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000058498439 463604221 /nfs/dbraw/zinc/60/42/21/463604221.db2.gz SRHRMRLXEQILGJ-UHFFFAOYSA-N 1 2 347.463 2.015 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000165783001 463647735 /nfs/dbraw/zinc/64/77/35/463647735.db2.gz GUMBQRAYTXWYDU-HNNXBMFYSA-N 1 2 348.878 2.218 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000165783001 463647737 /nfs/dbraw/zinc/64/77/37/463647737.db2.gz GUMBQRAYTXWYDU-HNNXBMFYSA-N 1 2 348.878 2.218 20 30 EEEDLO C=CC[N@H+](CCCOc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000177741779 463780891 /nfs/dbraw/zinc/78/08/91/463780891.db2.gz RSWWJZJKLFIEGK-INIZCTEOSA-N 1 2 334.441 2.002 20 30 EEEDLO C=CC[N@@H+](CCCOc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000177741779 463780895 /nfs/dbraw/zinc/78/08/95/463780895.db2.gz RSWWJZJKLFIEGK-INIZCTEOSA-N 1 2 334.441 2.002 20 30 EEEDLO C#CCOc1cccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000287045231 463781359 /nfs/dbraw/zinc/78/13/59/463781359.db2.gz PSNFAIAMZUOUIO-RDJZCZTQSA-N 1 2 343.427 2.026 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)/C=C\c2ccc(OCC#N)cc2)C1 ZINC000492281154 468376369 /nfs/dbraw/zinc/37/63/69/468376369.db2.gz BQVRHDGXTGOKPA-HQQUCIOCSA-N 1 2 336.395 2.352 20 30 EEEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000177986487 463823892 /nfs/dbraw/zinc/82/38/92/463823892.db2.gz SXAOBLRZRYUHCI-LJQANCHMSA-N 1 2 335.407 2.050 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnc(-c2ccco2)s1 ZINC000194292306 463829314 /nfs/dbraw/zinc/82/93/14/463829314.db2.gz ZUQPWYWZOMNVDC-UHFFFAOYSA-N 1 2 346.456 2.451 20 30 EEEDLO CCOCCCNC(=O)[C@H](C)O[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000178170876 463855408 /nfs/dbraw/zinc/85/54/08/463855408.db2.gz CKTNPCKWZLTTKR-LBPRGKRZSA-N 1 2 341.839 2.103 20 30 EEEDLO Cc1nc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)ccc1C#N ZINC000178445706 463903080 /nfs/dbraw/zinc/90/30/80/463903080.db2.gz CDHHDMJRPQUMHR-UHFFFAOYSA-N 1 2 338.386 2.359 20 30 EEEDLO C#CCOc1ccccc1CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000287467063 463903060 /nfs/dbraw/zinc/90/30/60/463903060.db2.gz NQKUYMJHMYRFRO-UHFFFAOYSA-N 1 2 336.382 2.292 20 30 EEEDLO C#C[C@H](NC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1)C(C)(C)C ZINC000288453801 464045998 /nfs/dbraw/zinc/04/59/98/464045998.db2.gz FWEJCIYXRYOTTQ-ZBFHGGJFSA-N 1 2 344.459 2.154 20 30 EEEDLO COc1cncc(CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)c1 ZINC000288631543 464052547 /nfs/dbraw/zinc/05/25/47/464052547.db2.gz PKKPSRUKTUSWQD-UHFFFAOYSA-N 1 2 341.415 2.313 20 30 EEEDLO C=CCCCCCN(C)C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000289233897 464070702 /nfs/dbraw/zinc/07/07/02/464070702.db2.gz ORPPCNYPJRPZMP-UHFFFAOYSA-N 1 2 328.416 2.155 20 30 EEEDLO CCC[N@H+](CC(=O)OC)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279410957 464100724 /nfs/dbraw/zinc/10/07/24/464100724.db2.gz NRYHPBHUTQSGQP-UHFFFAOYSA-N 1 2 341.415 2.244 20 30 EEEDLO CCC[N@@H+](CC(=O)OC)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279410957 464100728 /nfs/dbraw/zinc/10/07/28/464100728.db2.gz NRYHPBHUTQSGQP-UHFFFAOYSA-N 1 2 341.415 2.244 20 30 EEEDLO COc1cc(C[NH+]2CCN(c3cccnc3C#N)CC2)cc(OC)c1 ZINC000290510129 464122119 /nfs/dbraw/zinc/12/21/19/464122119.db2.gz BKZJNVNBJRVLDR-UHFFFAOYSA-N 1 2 338.411 2.293 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000292291666 464187333 /nfs/dbraw/zinc/18/73/33/464187333.db2.gz MFSXSAQTJMRGDF-KXBFYZLASA-N 1 2 346.450 2.391 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000292291666 464187341 /nfs/dbraw/zinc/18/73/41/464187341.db2.gz MFSXSAQTJMRGDF-KXBFYZLASA-N 1 2 346.450 2.391 20 30 EEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)Cc1[nH+]ccn1C ZINC000271056066 464277386 /nfs/dbraw/zinc/27/73/86/464277386.db2.gz ZGRWVJARZDFKTN-SWKXRBFHSA-N 1 2 331.464 2.171 20 30 EEEDLO COc1cc2c(cc1Cl)C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CC2 ZINC000293269643 464396368 /nfs/dbraw/zinc/39/63/68/464396368.db2.gz UWAPUYZVMSFKKK-GFCCVEGCSA-N 1 2 335.835 2.467 20 30 EEEDLO COc1cc2c(cc1Cl)C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CC2 ZINC000293269643 464396372 /nfs/dbraw/zinc/39/63/72/464396372.db2.gz UWAPUYZVMSFKKK-GFCCVEGCSA-N 1 2 335.835 2.467 20 30 EEEDLO CCC(CC)[C@H](C(=O)NCc1cc(C#N)ccc1F)[NH+]1CCOCC1 ZINC000174412829 464405311 /nfs/dbraw/zinc/40/53/11/464405311.db2.gz BRXLCXYESZLPGH-GOSISDBHSA-N 1 2 347.434 2.451 20 30 EEEDLO C=C(C)CN(CC)C(=O)CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC000174689348 464437450 /nfs/dbraw/zinc/43/74/50/464437450.db2.gz QODQHXRZCXITNW-UHFFFAOYSA-N 1 2 345.487 2.250 20 30 EEEDLO C=CCCCCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000285101121 464454317 /nfs/dbraw/zinc/45/43/17/464454317.db2.gz PZISODREPOOYJT-UHFFFAOYSA-N 1 2 344.390 2.100 20 30 EEEDLO Cc1cnc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000181207394 464457338 /nfs/dbraw/zinc/45/73/38/464457338.db2.gz FFVMAAAMMWOPLS-GFCCVEGCSA-N 1 2 335.454 2.448 20 30 EEEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000175931721 464660822 /nfs/dbraw/zinc/66/08/22/464660822.db2.gz IQGQIRNSXMKXCL-GFCCVEGCSA-N 1 2 342.226 2.476 20 30 EEEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000175931721 464660827 /nfs/dbraw/zinc/66/08/27/464660827.db2.gz IQGQIRNSXMKXCL-GFCCVEGCSA-N 1 2 342.226 2.476 20 30 EEEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3cccc(CC#N)c3)CC2)S1 ZINC000265778667 464683988 /nfs/dbraw/zinc/68/39/88/464683988.db2.gz QFOZMGGLVVVQQJ-UHFFFAOYSA-N 1 2 342.468 2.392 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCCCC#N ZINC000273165840 464706518 /nfs/dbraw/zinc/70/65/18/464706518.db2.gz DEUMTJPJJWELJZ-QGZVFWFLSA-N 1 2 344.459 2.223 20 30 EEEDLO C[C@@H](C#N)CNC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000182765115 464724409 /nfs/dbraw/zinc/72/44/09/464724409.db2.gz FTOMINAAYPJONO-DLBZAZTESA-N 1 2 344.459 2.079 20 30 EEEDLO C[C@H]([C@@H]1CCOC1)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000266225392 464769094 /nfs/dbraw/zinc/76/90/94/464769094.db2.gz QQISMMBNYQSCLP-CHWSQXEVSA-N 1 2 340.427 2.071 20 30 EEEDLO CCOc1ccccc1NC(=O)[C@H](C)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329976384 465494803 /nfs/dbraw/zinc/49/48/03/465494803.db2.gz YPZLSBKCIHCIQP-QRTARXTBSA-N 1 2 333.432 2.077 20 30 EEEDLO CCOc1ccccc1NC(=O)[C@H](C)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329976384 465494808 /nfs/dbraw/zinc/49/48/08/465494808.db2.gz YPZLSBKCIHCIQP-QRTARXTBSA-N 1 2 333.432 2.077 20 30 EEEDLO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000329976384 465494811 /nfs/dbraw/zinc/49/48/11/465494811.db2.gz YPZLSBKCIHCIQP-QRTARXTBSA-N 1 2 333.432 2.077 20 30 EEEDLO CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000329976384 465494816 /nfs/dbraw/zinc/49/48/16/465494816.db2.gz YPZLSBKCIHCIQP-QRTARXTBSA-N 1 2 333.432 2.077 20 30 EEEDLO Cc1csc([C@@H]2CN(C([O-])=[NH+][C@H]3CCc4[nH]c[nH+]c4C3)CCO2)n1 ZINC000329629111 465391526 /nfs/dbraw/zinc/39/15/26/465391526.db2.gz UYGBVPNBGXTEOI-FZMZJTMJSA-N 1 2 347.444 2.019 20 30 EEEDLO Cc1csc([C@@H]2CN(C([O-])=[NH+][C@H]3CCc4[nH+]c[nH]c4C3)CCO2)n1 ZINC000329629111 465391528 /nfs/dbraw/zinc/39/15/28/465391528.db2.gz UYGBVPNBGXTEOI-FZMZJTMJSA-N 1 2 347.444 2.019 20 30 EEEDLO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000329707496 465412738 /nfs/dbraw/zinc/41/27/38/465412738.db2.gz LPNAWEXKMKXVSN-STQMWFEESA-N 1 2 333.480 2.122 20 30 EEEDLO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000329707496 465412745 /nfs/dbraw/zinc/41/27/45/465412745.db2.gz 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C=CCCCCNC(=O)[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000343650806 465538719 /nfs/dbraw/zinc/53/87/19/465538719.db2.gz CBVPVYHCHOMGMR-MAUKXSAKSA-N 1 2 344.459 2.335 20 30 EEEDLO CCN(C)C(=O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348306951 465543118 /nfs/dbraw/zinc/54/31/18/465543118.db2.gz NFMNJQBHHCRNIQ-MRXNPFEDSA-N 1 2 334.851 2.001 20 30 EEEDLO C=CC[N@H+](CCc1ccco1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000352721679 465550692 /nfs/dbraw/zinc/55/06/92/465550692.db2.gz VVMNSPFWSLTSIR-UHFFFAOYSA-N 1 2 345.424 2.332 20 30 EEEDLO C=CC[N@@H+](CCc1ccco1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000352721679 465550700 /nfs/dbraw/zinc/55/07/00/465550700.db2.gz VVMNSPFWSLTSIR-UHFFFAOYSA-N 1 2 345.424 2.332 20 30 EEEDLO COC(=O)C1([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CCC(C)CC1 ZINC000356992024 465683012 /nfs/dbraw/zinc/68/30/12/465683012.db2.gz VOLUAIQJSNUHIU-NLGTXKQRSA-N 1 2 346.427 2.009 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+](CC)Cc1ccc(OC)cc1OC ZINC000299406992 465735890 /nfs/dbraw/zinc/73/58/90/465735890.db2.gz 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CC#CCCNC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000361645965 466173823 /nfs/dbraw/zinc/17/38/23/466173823.db2.gz GFOVBOMNVFRGMX-UHFFFAOYSA-N 1 2 333.407 2.075 20 30 EEEDLO N#CCCN(CC(=O)N1CC[NH+](Cc2ccsc2)CC1)CC1CC1 ZINC000357907654 466307309 /nfs/dbraw/zinc/30/73/09/466307309.db2.gz JFZRWGZUMCUABK-UHFFFAOYSA-N 1 2 346.500 2.018 20 30 EEEDLO O=C(NCC#Cc1cccc(F)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000338731368 466343080 /nfs/dbraw/zinc/34/30/80/466343080.db2.gz ZYMXKNZGJHFDCR-HNNXBMFYSA-N 1 2 326.375 2.490 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000305756785 466449747 /nfs/dbraw/zinc/44/97/47/466449747.db2.gz BEZYJMFZRXGIES-QPUJVOFHSA-N 1 2 349.740 2.394 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000305756785 466449754 /nfs/dbraw/zinc/44/97/54/466449754.db2.gz BEZYJMFZRXGIES-QPUJVOFHSA-N 1 2 349.740 2.394 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000340948873 466459839 /nfs/dbraw/zinc/45/98/39/466459839.db2.gz GBIPICSRNBWORJ-BFHYXJOUSA-N 1 2 333.457 2.474 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000340948873 466459847 /nfs/dbraw/zinc/45/98/47/466459847.db2.gz GBIPICSRNBWORJ-BFHYXJOUSA-N 1 2 333.457 2.474 20 30 EEEDLO CS(=O)(=O)N(Cc1cn2c([nH+]1)CCCC2)Cc1cccc(C#N)c1 ZINC000332334590 466514780 /nfs/dbraw/zinc/51/47/80/466514780.db2.gz QTQGWCHWKVYUCZ-UHFFFAOYSA-N 1 2 344.440 2.053 20 30 EEEDLO COc1ccc(C(=O)N2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)c(OC)c1 ZINC000332426927 466541284 /nfs/dbraw/zinc/54/12/84/466541284.db2.gz CGANQKAXXPZLLX-HUUCEWRRSA-N 1 2 343.427 2.154 20 30 EEEDLO C[C@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000350769425 466603657 /nfs/dbraw/zinc/60/36/57/466603657.db2.gz ZAUHFMOBHJNAGH-KBXCAEBGSA-N 1 2 327.428 2.379 20 30 EEEDLO C[C@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000350769425 466603663 /nfs/dbraw/zinc/60/36/63/466603663.db2.gz ZAUHFMOBHJNAGH-KBXCAEBGSA-N 1 2 327.428 2.379 20 30 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KJACBXBGJDINMX-UHFFFAOYSA-N 1 2 333.388 2.329 20 30 EEEDLO C=CCOc1cccc(NC(=O)C(=O)N[C@@H](C)c2[nH+]ccn2CC)c1 ZINC000453974708 467560013 /nfs/dbraw/zinc/56/00/13/467560013.db2.gz MYYOVYVZAVHBIB-ZDUSSCGKSA-N 1 2 342.399 2.284 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)OCC)C1 ZINC000441119019 467571477 /nfs/dbraw/zinc/57/14/77/467571477.db2.gz UNQYQTOOEYBTFK-SFHVURJKSA-N 1 2 342.439 2.350 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1Cc2ccccc2[C@@H](C(=O)OCC)C1 ZINC000441119019 467571478 /nfs/dbraw/zinc/57/14/78/467571478.db2.gz UNQYQTOOEYBTFK-SFHVURJKSA-N 1 2 342.439 2.350 20 30 EEEDLO COc1cc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)ccc1C#N ZINC000443069216 467579050 /nfs/dbraw/zinc/57/90/50/467579050.db2.gz MGWSMOMYKDNXKJ-QGZVFWFLSA-N 1 2 342.443 2.145 20 30 EEEDLO COc1cc(C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)ccc1C#N ZINC000443069216 467579053 /nfs/dbraw/zinc/57/90/53/467579053.db2.gz MGWSMOMYKDNXKJ-QGZVFWFLSA-N 1 2 342.443 2.145 20 30 EEEDLO 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C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(Oc2ccncc2)c1 ZINC000518758874 468124904 /nfs/dbraw/zinc/12/49/04/468124904.db2.gz GSRBOQCLNNKGJN-INIZCTEOSA-N 1 2 326.400 2.492 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(Oc2ccncc2)c1 ZINC000518758874 468124907 /nfs/dbraw/zinc/12/49/07/468124907.db2.gz GSRBOQCLNNKGJN-INIZCTEOSA-N 1 2 326.400 2.492 20 30 EEEDLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000589300625 468142272 /nfs/dbraw/zinc/14/22/72/468142272.db2.gz LJNLKWOCAYVLOH-CQSZACIVSA-N 1 2 339.439 2.493 20 30 EEEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000589300625 468142277 /nfs/dbraw/zinc/14/22/77/468142277.db2.gz LJNLKWOCAYVLOH-CQSZACIVSA-N 1 2 339.439 2.493 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ncc(C#N)cn3)C[C@H]12 ZINC000496291996 468145148 /nfs/dbraw/zinc/14/51/48/468145148.db2.gz JPEWTZAOWWAKSK-QLFBSQMISA-N 1 2 343.431 2.083 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ncc(C#N)cn3)C[C@H]12 ZINC000496291996 468145151 /nfs/dbraw/zinc/14/51/51/468145151.db2.gz JPEWTZAOWWAKSK-QLFBSQMISA-N 1 2 343.431 2.083 20 30 EEEDLO CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567114288 468165187 /nfs/dbraw/zinc/16/51/87/468165187.db2.gz INQRJZPTKFCHOP-SCLBCKFNSA-N 1 2 342.447 2.284 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1(C#N)CC1)c1ccc(F)cc1 ZINC000567487071 468172139 /nfs/dbraw/zinc/17/21/39/468172139.db2.gz WRJHACZBIXEQQI-AWEZNQCLSA-N 1 2 327.363 2.252 20 30 EEEDLO Cc1cc(C#N)cnc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000590176943 468220796 /nfs/dbraw/zinc/22/07/96/468220796.db2.gz LKFXDAWXLPMHLF-UHFFFAOYSA-N 1 2 336.395 2.346 20 30 EEEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ncc(C#N)cn1 ZINC000496416328 468233040 /nfs/dbraw/zinc/23/30/40/468233040.db2.gz NSIJALZODIVLHY-TZMCWYRMSA-N 1 2 331.420 2.226 20 30 EEEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ncc(C#N)cn1 ZINC000496416328 468233043 /nfs/dbraw/zinc/23/30/43/468233043.db2.gz NSIJALZODIVLHY-TZMCWYRMSA-N 1 2 331.420 2.226 20 30 EEEDLO N#CCN1CCC(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000591816368 468526300 /nfs/dbraw/zinc/52/63/00/468526300.db2.gz JMQSFKOHLKYBKU-KRWDZBQOSA-N 1 2 337.427 2.036 20 30 EEEDLO N#Cc1ccc(OCC(=O)NCC2CC[NH+](CC(F)F)CC2)cc1 ZINC000556944208 468601732 /nfs/dbraw/zinc/60/17/32/468601732.db2.gz SQAZRYNFJVYQKI-UHFFFAOYSA-N 1 2 337.370 2.030 20 30 EEEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)CC1(C#N)CCCCC1)C2 ZINC000597639550 468623482 /nfs/dbraw/zinc/62/34/82/468623482.db2.gz CBXQKZZCOYBPDQ-HNNXBMFYSA-N 1 2 344.459 2.022 20 30 EEEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149616 468640245 /nfs/dbraw/zinc/64/02/45/468640245.db2.gz SCYGDJGMUWEZSK-QLJPJBMISA-N 1 2 348.403 2.113 20 30 EEEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149616 468640249 /nfs/dbraw/zinc/64/02/49/468640249.db2.gz SCYGDJGMUWEZSK-QLJPJBMISA-N 1 2 348.403 2.113 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000592152079 468641348 /nfs/dbraw/zinc/64/13/48/468641348.db2.gz TYLWPRKFOXRPNZ-SPLOXXLWSA-N 1 2 347.267 2.451 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000592152079 468641352 /nfs/dbraw/zinc/64/13/52/468641352.db2.gz TYLWPRKFOXRPNZ-SPLOXXLWSA-N 1 2 347.267 2.451 20 30 EEEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000594773796 468681446 /nfs/dbraw/zinc/68/14/46/468681446.db2.gz BLWCUINIAIQSAR-UHFFFAOYSA-N 1 2 335.454 2.065 20 30 EEEDLO N#Cc1cccc2c1CCN2C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583558395 468715752 /nfs/dbraw/zinc/71/57/52/468715752.db2.gz MXBGJYWMOHLOIT-FQEVSTJZSA-N 1 2 347.418 2.348 20 30 EEEDLO N#Cc1cccc2c1CCN2C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583558395 468715760 /nfs/dbraw/zinc/71/57/60/468715760.db2.gz MXBGJYWMOHLOIT-FQEVSTJZSA-N 1 2 347.418 2.348 20 30 EEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000601028067 468723247 /nfs/dbraw/zinc/72/32/47/468723247.db2.gz BPJVMVPBQBGDNH-GOSISDBHSA-N 1 2 337.427 2.383 20 30 EEEDLO CCOC(=O)c1ccc(C#N)c(SCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000571299337 468769227 /nfs/dbraw/zinc/76/92/27/468769227.db2.gz OOYZXPIISUCZKP-BETUJISGSA-N 1 2 349.456 2.331 20 30 EEEDLO CCOC(=O)c1ccc(C#N)c(SCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000571299337 468769229 /nfs/dbraw/zinc/76/92/29/468769229.db2.gz OOYZXPIISUCZKP-BETUJISGSA-N 1 2 349.456 2.331 20 30 EEEDLO C=CCC(CC=C)C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000572167682 468895605 /nfs/dbraw/zinc/89/56/05/468895605.db2.gz OMUQOLVTJBOZKH-UHFFFAOYSA-N 1 2 327.432 2.414 20 30 EEEDLO CC(C)(CC#N)CNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601611878 468936996 /nfs/dbraw/zinc/93/69/96/468936996.db2.gz MOFUDIYZJUNQMA-UHFFFAOYSA-N 1 2 347.488 2.374 20 30 EEEDLO Cc1nnc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)o1 ZINC000595704612 468962086 /nfs/dbraw/zinc/96/20/86/468962086.db2.gz LMNZCNJWQUOFKB-UHFFFAOYSA-N 1 2 345.428 2.261 20 30 EEEDLO Cc1nnc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)o1 ZINC000595704612 468962090 /nfs/dbraw/zinc/96/20/90/468962090.db2.gz LMNZCNJWQUOFKB-UHFFFAOYSA-N 1 2 345.428 2.261 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000562554573 468989905 /nfs/dbraw/zinc/98/99/05/468989905.db2.gz LFJWJRHYXRNFKM-OLZOCXBDSA-N 1 2 330.413 2.224 20 30 EEEDLO Cc1nsc(N2CCN([C@H](c3[nH+]ccn3C)C3CC3)CC2)c1C#N ZINC000602665894 468997965 /nfs/dbraw/zinc/99/79/65/468997965.db2.gz DLNHBTJJEOGVSU-HNNXBMFYSA-N 1 2 342.472 2.330 20 30 EEEDLO COCCO[C@H]1CC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000614922023 469094482 /nfs/dbraw/zinc/09/44/82/469094482.db2.gz CDEFWSJMHYWKBB-KRWDZBQOSA-N 1 2 340.427 2.290 20 30 EEEDLO COCCO[C@H]1CC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000614922023 469094488 /nfs/dbraw/zinc/09/44/88/469094488.db2.gz CDEFWSJMHYWKBB-KRWDZBQOSA-N 1 2 340.427 2.290 20 30 EEEDLO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)CC#N)c(OC)c1 ZINC000602863593 469127945 /nfs/dbraw/zinc/12/79/45/469127945.db2.gz OSHHGFUFKHMHPO-XJKSGUPXSA-N 1 2 331.416 2.259 20 30 EEEDLO N#Cc1cc(NC[C@@H]2CCC[N@@H+]2CC(F)F)cc(N)c1[N+](=O)[O-] ZINC000599134603 469130367 /nfs/dbraw/zinc/13/03/67/469130367.db2.gz YLWHCFZRAUTTIK-NSHDSACASA-N 1 2 325.319 2.190 20 30 EEEDLO N#Cc1cc(NC[C@@H]2CCC[N@H+]2CC(F)F)cc(N)c1[N+](=O)[O-] ZINC000599134603 469130375 /nfs/dbraw/zinc/13/03/75/469130375.db2.gz YLWHCFZRAUTTIK-NSHDSACASA-N 1 2 325.319 2.190 20 30 EEEDLO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@H](C)CC#N)C[C@H](C)CC2 ZINC000602871186 469131009 /nfs/dbraw/zinc/13/10/09/469131009.db2.gz YXFHEIQXDVLEOE-GHMZBOCLSA-N 1 2 349.456 2.490 20 30 EEEDLO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCN(CCC#N)CC2)cc1 ZINC000611173945 469180014 /nfs/dbraw/zinc/18/00/14/469180014.db2.gz STELSFOHRIKUCN-IAGOWNOFSA-N 1 2 342.487 2.346 20 30 EEEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611175931 469183152 /nfs/dbraw/zinc/18/31/52/469183152.db2.gz PAJIHUZNNJJAFO-IRXDYDNUSA-N 1 2 328.460 2.092 20 30 EEEDLO CC1(O)CCN(c2cc(NCc3ccc(C#N)c(F)c3)[nH+]cn2)CC1 ZINC000596262088 469225075 /nfs/dbraw/zinc/22/50/75/469225075.db2.gz MHWZIWPYGIWUIW-UHFFFAOYSA-N 1 2 341.390 2.451 20 30 EEEDLO CC1(O)CCN(c2cc(NCc3ccc(C#N)c(F)c3)nc[nH+]2)CC1 ZINC000596262088 469225081 /nfs/dbraw/zinc/22/50/81/469225081.db2.gz MHWZIWPYGIWUIW-UHFFFAOYSA-N 1 2 341.390 2.451 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000611432296 469249137 /nfs/dbraw/zinc/24/91/37/469249137.db2.gz RUQQTCBAKPAFOU-MHORFTMASA-N 1 2 334.508 2.330 20 30 EEEDLO Cc1ccnc(-c2cccc(NC[C@H](O)C[N@H+](C)CCC#N)c2)n1 ZINC000564650841 469256174 /nfs/dbraw/zinc/25/61/74/469256174.db2.gz HGGRPZKKENOKND-KRWDZBQOSA-N 1 2 325.416 2.070 20 30 EEEDLO Cc1ccnc(-c2cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c2)n1 ZINC000564650841 469256178 /nfs/dbraw/zinc/25/61/78/469256178.db2.gz HGGRPZKKENOKND-KRWDZBQOSA-N 1 2 325.416 2.070 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1CCC(C#N)CC1)C(C)(C)CO ZINC000596596767 469309125 /nfs/dbraw/zinc/30/91/25/469309125.db2.gz UTIWVQXOQDCWBJ-YMAMQOFZSA-N 1 2 347.463 2.109 20 30 EEEDLO COCC[N@H+](C)Cc1cn(Cc2ccccc2C(C)(C)C#N)nn1 ZINC000603249543 469324291 /nfs/dbraw/zinc/32/42/91/469324291.db2.gz ICPLGQHBOHGHQP-UHFFFAOYSA-N 1 2 327.432 2.206 20 30 EEEDLO COCC[N@@H+](C)Cc1cn(Cc2ccccc2C(C)(C)C#N)nn1 ZINC000603249543 469324294 /nfs/dbraw/zinc/32/42/94/469324294.db2.gz ICPLGQHBOHGHQP-UHFFFAOYSA-N 1 2 327.432 2.206 20 30 EEEDLO CC(C)(C)OC(=O)C(C)(C)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000599653865 469326921 /nfs/dbraw/zinc/32/69/21/469326921.db2.gz WDULFXFWVXSKPR-HNNXBMFYSA-N 1 2 348.443 2.202 20 30 EEEDLO N#CCc1ccc(C[NH+]2CCN(C(=O)N3CCCCC3)CC2)cc1 ZINC000612057548 469379641 /nfs/dbraw/zinc/37/96/41/469379641.db2.gz QQQSXABIHPHEMR-UHFFFAOYSA-N 1 2 326.444 2.476 20 30 EEEDLO C[C@H]1C[N@H+](CCNc2c(C#N)cnn2-c2ccccc2)[C@@H](C)CO1 ZINC000603407580 469383132 /nfs/dbraw/zinc/38/31/32/469383132.db2.gz GRZYCWZNXVQADH-GJZGRUSLSA-N 1 2 325.416 2.265 20 30 EEEDLO C[C@H]1C[N@@H+](CCNc2c(C#N)cnn2-c2ccccc2)[C@@H](C)CO1 ZINC000603407580 469383138 /nfs/dbraw/zinc/38/31/38/469383138.db2.gz GRZYCWZNXVQADH-GJZGRUSLSA-N 1 2 325.416 2.265 20 30 EEEDLO COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612162967 469408828 /nfs/dbraw/zinc/40/88/28/469408828.db2.gz SBAMJRLKBBIIGP-AUUYWEPGSA-N 1 2 343.427 2.104 20 30 EEEDLO COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612162967 469408834 /nfs/dbraw/zinc/40/88/34/469408834.db2.gz SBAMJRLKBBIIGP-AUUYWEPGSA-N 1 2 343.427 2.104 20 30 EEEDLO C=C[C@H]([NH2+]CC1(c2ccc(OCC)cc2)CCOCC1)C(=O)OC ZINC000619701063 469666541 /nfs/dbraw/zinc/66/65/41/469666541.db2.gz WLPHZYVJPBWKKH-KRWDZBQOSA-N 1 2 333.428 2.451 20 30 EEEDLO C=CCOc1ccccc1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619889674 469698290 /nfs/dbraw/zinc/69/82/90/469698290.db2.gz LMWSKNBCTARDNA-UHFFFAOYSA-N 1 2 344.455 2.436 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccc(CC)cc2)nn1 ZINC000640781563 471026784 /nfs/dbraw/zinc/02/67/84/471026784.db2.gz MVKCCJVWBGATKB-CQSZACIVSA-N 1 2 325.416 2.153 20 30 EEEDLO C=CCN(C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@H](C)COC ZINC000663591291 471440208 /nfs/dbraw/zinc/44/02/08/471440208.db2.gz MWHPJHXFOYGJMM-OAHLLOKOSA-N 1 2 332.448 2.414 20 30 EEEDLO C=C(C)Cn1c(Nc2c(C)n[nH]c2C)nnc1[C@H]1C[N@@H+](C)C[C@H](C)O1 ZINC000669350997 471464754 /nfs/dbraw/zinc/46/47/54/471464754.db2.gz WRHMAYZPUFLTMT-SMDDNHRTSA-N 1 2 345.451 2.329 20 30 EEEDLO C=C(C)Cn1c(Nc2c(C)n[nH]c2C)nnc1[C@H]1C[N@H+](C)C[C@H](C)O1 ZINC000669350997 471464758 /nfs/dbraw/zinc/46/47/58/471464758.db2.gz WRHMAYZPUFLTMT-SMDDNHRTSA-N 1 2 345.451 2.329 20 30 EEEDLO C=CCCn1cc(CN(C)Cc2[nH+]ccn2CC(F)(F)F)nn1 ZINC000653542573 471659578 /nfs/dbraw/zinc/65/95/78/471659578.db2.gz VJSFPTFGVZKXMH-UHFFFAOYSA-N 1 2 328.342 2.245 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)[C@H](C)COC ZINC000661243056 471686828 /nfs/dbraw/zinc/68/68/28/471686828.db2.gz XELJAPWEKJTBSX-LLVKDONJSA-N 1 2 326.466 2.297 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)[C@H](C)COC ZINC000661243056 471686835 /nfs/dbraw/zinc/68/68/35/471686835.db2.gz XELJAPWEKJTBSX-LLVKDONJSA-N 1 2 326.466 2.297 20 30 EEEDLO C=C(CNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)c1ccccc1 ZINC000664898557 471891745 /nfs/dbraw/zinc/89/17/45/471891745.db2.gz AMKLSWZDUPYJJV-MRXNPFEDSA-N 1 2 342.443 2.492 20 30 EEEDLO C=CCCS(=O)(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000675754111 486062114 /nfs/dbraw/zinc/06/21/14/486062114.db2.gz UVAJJPPQMGLMIT-UHFFFAOYSA-N 1 2 338.473 2.027 20 30 EEEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1OCC(=O)N1CCCC1 ZINC000093090589 533794075 /nfs/dbraw/zinc/79/40/75/533794075.db2.gz GXOGGUBGEAMFNT-OAHLLOKOSA-N 1 2 345.443 2.430 20 30 EEEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1OCC(=O)N1CCCC1 ZINC000093090589 533794092 /nfs/dbraw/zinc/79/40/92/533794092.db2.gz GXOGGUBGEAMFNT-OAHLLOKOSA-N 1 2 345.443 2.430 20 30 EEEDLO CC#CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000160036953 526362268 /nfs/dbraw/zinc/36/22/68/526362268.db2.gz RCODGPWAGWXVBD-UHFFFAOYSA-N 1 2 332.878 2.121 20 30 EEEDLO CC#CC[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000160036953 526362273 /nfs/dbraw/zinc/36/22/73/526362273.db2.gz RCODGPWAGWXVBD-UHFFFAOYSA-N 1 2 332.878 2.121 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000171706094 526623183 /nfs/dbraw/zinc/62/31/83/526623183.db2.gz AFQYQCCAUHIREZ-HZPDHXFCSA-N 1 2 331.460 2.065 20 30 EEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc(F)cc1Br ZINC000112335756 526689553 /nfs/dbraw/zinc/68/95/53/526689553.db2.gz DIIASUAZZUTHIU-UHFFFAOYSA-N 1 2 346.200 2.292 20 30 EEEDLO C=C(C)[C@H](CC(=O)NC1CCN(c2cc(C)[nH+]cn2)CC1)OCC ZINC000371053679 526812387 /nfs/dbraw/zinc/81/23/87/526812387.db2.gz KOMUGWNWWMTLBG-INIZCTEOSA-N 1 2 332.448 2.241 20 30 EEEDLO C=CCC1(C(=O)N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)CCC1 ZINC000191679553 527042009 /nfs/dbraw/zinc/04/20/09/527042009.db2.gz QWLNCPJBJVAKEN-UHFFFAOYSA-N 1 2 335.492 2.136 20 30 EEEDLO C=CCC1(C(=O)N2CCC[N@H+](CC(=O)N(CC)CC)CC2)CCC1 ZINC000191679553 527042013 /nfs/dbraw/zinc/04/20/13/527042013.db2.gz QWLNCPJBJVAKEN-UHFFFAOYSA-N 1 2 335.492 2.136 20 30 EEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)COc1ccc(C#N)cc1OC ZINC000456385766 536114562 /nfs/dbraw/zinc/11/45/62/536114562.db2.gz MLLJEDGUQFBMTC-GFCCVEGCSA-N 1 2 328.372 2.039 20 30 EEEDLO N#CCn1c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)nc2ccccc2c1=O ZINC000728914822 576559742 /nfs/dbraw/zinc/55/97/42/576559742.db2.gz UQWMZJWRMYSVSL-CQSZACIVSA-N 1 2 348.410 2.023 20 30 EEEDLO N#CCn1c(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)nc2ccccc2c1=O ZINC000728914822 576559744 /nfs/dbraw/zinc/55/97/44/576559744.db2.gz UQWMZJWRMYSVSL-CQSZACIVSA-N 1 2 348.410 2.023 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000730105062 576715798 /nfs/dbraw/zinc/71/57/98/576715798.db2.gz ADLBSALGDGDLHR-MSOLQXFVSA-N 1 2 328.412 2.281 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000730105062 576715800 /nfs/dbraw/zinc/71/58/00/576715800.db2.gz ADLBSALGDGDLHR-MSOLQXFVSA-N 1 2 328.412 2.281 20 30 EEEDLO C#C[C@H]([NH2+][C@H](C)c1nc(N)nc(Nc2ccccc2)n1)[C@H]1CCCO1 ZINC000775808259 577446571 /nfs/dbraw/zinc/44/65/71/577446571.db2.gz ZQODXGCBBAQQFW-VHDGCEQUSA-N 1 2 338.415 2.029 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000767921586 577547321 /nfs/dbraw/zinc/54/73/21/577547321.db2.gz LCUWONSMRKZLEK-UHFFFAOYSA-N 1 2 334.423 2.336 20 30 EEEDLO Cc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cnc1Cl ZINC000770304460 577593763 /nfs/dbraw/zinc/59/37/63/577593763.db2.gz FSKRPTAGRHKXIJ-ZDUSSCGKSA-N 1 2 342.834 2.416 20 30 EEEDLO Cc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cnc1Cl ZINC000770304460 577593764 /nfs/dbraw/zinc/59/37/64/577593764.db2.gz FSKRPTAGRHKXIJ-ZDUSSCGKSA-N 1 2 342.834 2.416 20 30 EEEDLO C=CCNC(=O)c1ccc(N2CCC([N@H+](C)CC(F)F)CC2)nc1 ZINC000771155110 577610740 /nfs/dbraw/zinc/61/07/40/577610740.db2.gz PKXBVUKMBHDBDP-UHFFFAOYSA-N 1 2 338.402 2.163 20 30 EEEDLO C=CCNC(=O)c1ccc(N2CCC([N@@H+](C)CC(F)F)CC2)nc1 ZINC000771155110 577610741 /nfs/dbraw/zinc/61/07/41/577610741.db2.gz PKXBVUKMBHDBDP-UHFFFAOYSA-N 1 2 338.402 2.163 20 30 EEEDLO N#Cc1cccn(C[NH+]2CCC3(CC2)OCCc2ccsc23)c1=O ZINC000758251126 577620182 /nfs/dbraw/zinc/62/01/82/577620182.db2.gz XGJCNEKGCPXQBG-UHFFFAOYSA-N 1 2 341.436 2.303 20 30 EEEDLO CCc1cc2c(C[NH+]3CCN(CCC#N)CC3)cc(=O)oc2cc1O ZINC000760942701 577672605 /nfs/dbraw/zinc/67/26/05/577672605.db2.gz CKQLEIJZUWFYTO-UHFFFAOYSA-N 1 2 341.411 2.092 20 30 EEEDLO c1cn(-c2ccc(N=NCC[C@@H]3CCCCC34OCCO4)nn2)c[nH+]1 ZINC000761855199 577690187 /nfs/dbraw/zinc/69/01/87/577690187.db2.gz LANQVNCBSPXKRH-AWEZNQCLSA-N 1 2 342.403 2.383 20 30 EEEDLO C#CC[N@@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CC1 ZINC000763948623 577728520 /nfs/dbraw/zinc/72/85/20/577728520.db2.gz CAQSVGWYURPQFI-UHFFFAOYSA-N 1 2 331.847 2.086 20 30 EEEDLO C#CC[N@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CC1 ZINC000763948623 577728521 /nfs/dbraw/zinc/72/85/21/577728521.db2.gz CAQSVGWYURPQFI-UHFFFAOYSA-N 1 2 331.847 2.086 20 30 EEEDLO CC[N@H+](C)[C@@H](C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000745103121 577909066 /nfs/dbraw/zinc/90/90/66/577909066.db2.gz ZXJBKKXTFIQLDH-MJGOQNOKSA-N 1 2 345.443 2.277 20 30 EEEDLO CC[N@@H+](C)[C@@H](C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000745103121 577909067 /nfs/dbraw/zinc/90/90/67/577909067.db2.gz ZXJBKKXTFIQLDH-MJGOQNOKSA-N 1 2 345.443 2.277 20 30 EEEDLO CC(C)[C@@H](C(=O)OCc1ccnc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000747065223 577938684 /nfs/dbraw/zinc/93/86/84/577938684.db2.gz UZZLMVIGZNNCBB-VBQJREDUSA-N 1 2 331.416 2.130 20 30 EEEDLO CC(C)[C@@H](C(=O)OCc1ccnc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000747065223 577938685 /nfs/dbraw/zinc/93/86/85/577938685.db2.gz UZZLMVIGZNNCBB-VBQJREDUSA-N 1 2 331.416 2.130 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+](C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000741784670 578124050 /nfs/dbraw/zinc/12/40/50/578124050.db2.gz LDJQYURACQMEQK-ZWKOTPCHSA-N 1 2 342.443 2.178 20 30 EEEDLO C[C@@H]1C[N@@H+](C2CC2)CC1N=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1 ZINC000820751973 606701931 /nfs/dbraw/zinc/70/19/31/606701931.db2.gz JJSQUZHZSQUWNY-SECBINFHSA-N 1 2 344.423 2.034 20 30 EEEDLO C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1 ZINC000820751973 606701933 /nfs/dbraw/zinc/70/19/33/606701933.db2.gz JJSQUZHZSQUWNY-SECBINFHSA-N 1 2 344.423 2.034 20 30 EEEDLO C[C@@H](NC(=O)c1cncs1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969359400 674884514 /nfs/dbraw/zinc/88/45/14/674884514.db2.gz ROHAIDXBJVYWIV-LLVKDONJSA-N 1 2 344.415 2.404 20 30 EEEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC000969461833 675057952 /nfs/dbraw/zinc/05/79/52/675057952.db2.gz BSXKVCFGYJHOTH-LLVKDONJSA-N 1 2 343.818 2.185 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C(C)C)o3)C2)cc1 ZINC000969542538 675098556 /nfs/dbraw/zinc/09/85/56/675098556.db2.gz MRXZIXSZLOFNLN-MRXNPFEDSA-N 1 2 338.411 2.179 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970681061 676074068 /nfs/dbraw/zinc/07/40/68/676074068.db2.gz GJLFMSALPNRBRB-LBPRGKRZSA-N 1 2 342.374 2.244 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2nn(C)c3ccccc32)C1 ZINC000970757059 676127265 /nfs/dbraw/zinc/12/72/65/676127265.db2.gz OGIAAYXFAKNDIA-GFCCVEGCSA-N 1 2 332.835 2.376 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@H]3CCC(F)(F)C3)CC2)C1 ZINC000949382825 676181929 /nfs/dbraw/zinc/18/19/29/676181929.db2.gz HZQKEMLIPYOYQK-OAHLLOKOSA-N 1 2 340.414 2.139 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CCC(F)(F)C3)CC2)C1 ZINC000949382825 676181931 /nfs/dbraw/zinc/18/19/31/676181931.db2.gz HZQKEMLIPYOYQK-OAHLLOKOSA-N 1 2 340.414 2.139 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC000970876698 676210692 /nfs/dbraw/zinc/21/06/92/676210692.db2.gz VKALOKPUPZYANK-LLVKDONJSA-N 1 2 335.835 2.079 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(-n3cncn3)cc2)C1 ZINC000969883073 675280039 /nfs/dbraw/zinc/28/00/39/675280039.db2.gz FYCNDOCBCMOQGN-CYBMUJFWSA-N 1 2 345.834 2.070 20 30 EEEDLO Cc1nocc1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970362416 675816767 /nfs/dbraw/zinc/81/67/67/675816767.db2.gz XBRDHGONVWSIAB-LLVKDONJSA-N 1 2 342.374 2.244 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnc(COC)s2)C1 ZINC000970977988 676288839 /nfs/dbraw/zinc/28/88/39/676288839.db2.gz KJIMLMCKZQKFLJ-JTQLQIEISA-N 1 2 329.853 2.092 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1 ZINC000971297440 676474296 /nfs/dbraw/zinc/47/42/96/676474296.db2.gz HOZGOOLSWMEQRM-KGLIPLIRSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1 ZINC000971297440 676474297 /nfs/dbraw/zinc/47/42/97/676474297.db2.gz HOZGOOLSWMEQRM-KGLIPLIRSA-N 1 2 345.281 2.244 20 30 EEEDLO CC(C)n1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000971376974 676509063 /nfs/dbraw/zinc/50/90/63/676509063.db2.gz RHJLBFDJERMARQ-QGZVFWFLSA-N 1 2 340.431 2.010 20 30 EEEDLO CC(C)n1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000971376974 676509064 /nfs/dbraw/zinc/50/90/64/676509064.db2.gz RHJLBFDJERMARQ-QGZVFWFLSA-N 1 2 340.431 2.010 20 30 EEEDLO CO[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1)C1CC1 ZINC000971441392 676558289 /nfs/dbraw/zinc/55/82/89/676558289.db2.gz CAWPRGKPFZLXOK-QZTJIDSGSA-N 1 2 345.418 2.155 20 30 EEEDLO CO[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1)C1CC1 ZINC000971441392 676558290 /nfs/dbraw/zinc/55/82/90/676558290.db2.gz CAWPRGKPFZLXOK-QZTJIDSGSA-N 1 2 345.418 2.155 20 30 EEEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CC(=O)NC[C@H]2c2ccccc2)c1 ZINC000933326132 676592042 /nfs/dbraw/zinc/59/20/42/676592042.db2.gz YAPKOAYOXIILBI-SFHVURJKSA-N 1 2 348.406 2.060 20 30 EEEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CC(=O)NC[C@H]2c2ccccc2)c1 ZINC000933326132 676592044 /nfs/dbraw/zinc/59/20/44/676592044.db2.gz YAPKOAYOXIILBI-SFHVURJKSA-N 1 2 348.406 2.060 20 30 EEEDLO CCCCc1noc([C@H](C)[N@H+](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC000971504910 676603428 /nfs/dbraw/zinc/60/34/28/676603428.db2.gz PDFUCOZTVQODBP-GOEBONIOSA-N 1 2 344.459 2.419 20 30 EEEDLO CCCCc1noc([C@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC000971504910 676603429 /nfs/dbraw/zinc/60/34/29/676603429.db2.gz PDFUCOZTVQODBP-GOEBONIOSA-N 1 2 344.459 2.419 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC001022180071 676719386 /nfs/dbraw/zinc/71/93/86/676719386.db2.gz DRICFTYMBWJOOO-TXEJJXNPSA-N 1 2 331.807 2.075 20 30 EEEDLO Cc1cc(C#N)ccc1N1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000891661703 676760533 /nfs/dbraw/zinc/76/05/33/676760533.db2.gz VDNDWALMDGYICU-LJQANCHMSA-N 1 2 334.423 2.215 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(OC)no3)C2)cc1 ZINC000972058124 678184222 /nfs/dbraw/zinc/18/42/22/678184222.db2.gz FSNSVHBLQDLLTJ-MRXNPFEDSA-N 1 2 339.395 2.011 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cc(OC)no3)C2)cc1 ZINC000972058124 678184224 /nfs/dbraw/zinc/18/42/24/678184224.db2.gz FSNSVHBLQDLLTJ-MRXNPFEDSA-N 1 2 339.395 2.011 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)[C@@H](C)c3ncccn3)C2)cc1 ZINC000972058334 678187300 /nfs/dbraw/zinc/18/73/00/678187300.db2.gz HTRJPROQJHRTFX-YJBOKZPZSA-N 1 2 334.423 2.365 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@@H](C)c3ncccn3)C2)cc1 ZINC000972058334 678187304 /nfs/dbraw/zinc/18/73/04/678187304.db2.gz HTRJPROQJHRTFX-YJBOKZPZSA-N 1 2 334.423 2.365 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc3n(n2)CCCC3)C1 ZINC000972080238 678217594 /nfs/dbraw/zinc/21/75/94/678217594.db2.gz TYPXSWJTICBXNI-QGZVFWFLSA-N 1 2 330.476 2.464 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc3n(n2)CCCC3)C1 ZINC000972080238 678217597 /nfs/dbraw/zinc/21/75/97/678217597.db2.gz TYPXSWJTICBXNI-QGZVFWFLSA-N 1 2 330.476 2.464 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(Cc4ccccc4)CC3)C2)C1 ZINC000972413994 678706322 /nfs/dbraw/zinc/70/63/22/678706322.db2.gz RVPRVAFBUPFMOW-NRFANRHFSA-N 1 2 340.467 2.499 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(Cc4ccccc4)CC3)C2)C1 ZINC000972413994 678706325 /nfs/dbraw/zinc/70/63/25/678706325.db2.gz RVPRVAFBUPFMOW-NRFANRHFSA-N 1 2 340.467 2.499 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3c(F)cccc3F)C2)C1 ZINC000972464335 678802714 /nfs/dbraw/zinc/80/27/14/678802714.db2.gz CNFCCAPNCLRCHS-IFXJQAMLSA-N 1 2 348.393 2.005 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3c(F)cccc3F)C2)C1 ZINC000972464335 678802716 /nfs/dbraw/zinc/80/27/16/678802716.db2.gz CNFCCAPNCLRCHS-IFXJQAMLSA-N 1 2 348.393 2.005 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)c3cccnc3)C2)C1 ZINC000972580779 679345984 /nfs/dbraw/zinc/34/59/84/679345984.db2.gz BFAKYHRSTYJKMY-QFBILLFUSA-N 1 2 329.444 2.065 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)c3cccnc3)C2)C1 ZINC000972580779 679345985 /nfs/dbraw/zinc/34/59/85/679345985.db2.gz BFAKYHRSTYJKMY-QFBILLFUSA-N 1 2 329.444 2.065 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc([C@H](C)CC)no3)C2)C1 ZINC000972584762 679360419 /nfs/dbraw/zinc/36/04/19/679360419.db2.gz BEGQHYRWSROPFV-DNVCBOLYSA-N 1 2 345.443 2.128 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc([C@H](C)CC)no3)C2)C1 ZINC000972584762 679360420 /nfs/dbraw/zinc/36/04/20/679360420.db2.gz BEGQHYRWSROPFV-DNVCBOLYSA-N 1 2 345.443 2.128 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3nc(C)no3)C2)cc1 ZINC001023527283 679360751 /nfs/dbraw/zinc/36/07/51/679360751.db2.gz SLKUWVURTCNHHW-INIZCTEOSA-N 1 2 338.411 2.001 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3nc(C)no3)C2)cc1 ZINC001023527283 679360753 /nfs/dbraw/zinc/36/07/53/679360753.db2.gz SLKUWVURTCNHHW-INIZCTEOSA-N 1 2 338.411 2.001 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000972643928 679498455 /nfs/dbraw/zinc/49/84/55/679498455.db2.gz UATKPEKOLWKQSP-NLWGTHIKSA-N 1 2 326.440 2.279 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000972643928 679498457 /nfs/dbraw/zinc/49/84/57/679498457.db2.gz UATKPEKOLWKQSP-NLWGTHIKSA-N 1 2 326.440 2.279 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(OCC)cc3)C2)C1 ZINC000972663110 679532185 /nfs/dbraw/zinc/53/21/85/679532185.db2.gz YRFQSTFEEXHDJN-LJQANCHMSA-N 1 2 330.428 2.188 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(OCC)cc3)C2)C1 ZINC000972663110 679532186 /nfs/dbraw/zinc/53/21/86/679532186.db2.gz YRFQSTFEEXHDJN-LJQANCHMSA-N 1 2 330.428 2.188 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)c(C)s3)C2)C1 ZINC000972667155 679549795 /nfs/dbraw/zinc/54/97/95/679549795.db2.gz KJWHQKXYRFMBGO-GOSISDBHSA-N 1 2 332.469 2.305 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)c(C)s3)C2)C1 ZINC000972667155 679549798 /nfs/dbraw/zinc/54/97/98/679549798.db2.gz KJWHQKXYRFMBGO-GOSISDBHSA-N 1 2 332.469 2.305 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Oc3ccc(F)cc3)C2)C1 ZINC000972668531 679556101 /nfs/dbraw/zinc/55/61/01/679556101.db2.gz ZJILTCOZGFYSQG-KXBFYZLASA-N 1 2 348.418 2.082 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Oc3ccc(F)cc3)C2)C1 ZINC000972668531 679556105 /nfs/dbraw/zinc/55/61/05/679556105.db2.gz ZJILTCOZGFYSQG-KXBFYZLASA-N 1 2 348.418 2.082 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3cccc(F)c3)C2)C1 ZINC000972684352 679598957 /nfs/dbraw/zinc/59/89/57/679598957.db2.gz RPQVURWCKIULDO-OXQOHEQNSA-N 1 2 344.430 2.256 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3cccc(F)c3)C2)C1 ZINC000972684352 679598961 /nfs/dbraw/zinc/59/89/61/679598961.db2.gz RPQVURWCKIULDO-OXQOHEQNSA-N 1 2 344.430 2.256 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C34CC(C(F)(F)F)(C3)C4)C2)C1 ZINC000972688528 679605168 /nfs/dbraw/zinc/60/51/68/679605168.db2.gz OPKSOKYRNNYPSL-UYSNPLJNSA-N 1 2 344.377 2.208 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C34CC(C(F)(F)F)(C3)C4)C2)C1 ZINC000972688528 679605170 /nfs/dbraw/zinc/60/51/70/679605170.db2.gz OPKSOKYRNNYPSL-UYSNPLJNSA-N 1 2 344.377 2.208 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3cccc(OC)c3)C2)C1 ZINC000972688756 679605876 /nfs/dbraw/zinc/60/58/76/679605876.db2.gz PSDIDKBOXLAINJ-OXQOHEQNSA-N 1 2 344.455 2.288 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3cccc(OC)c3)C2)C1 ZINC000972688756 679605877 /nfs/dbraw/zinc/60/58/77/679605877.db2.gz PSDIDKBOXLAINJ-OXQOHEQNSA-N 1 2 344.455 2.288 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnsn1 ZINC001024341524 679877499 /nfs/dbraw/zinc/87/74/99/679877499.db2.gz IFNBHYPDEXAQBT-OAHLLOKOSA-N 1 2 341.440 2.194 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnsn1 ZINC001024341524 679877500 /nfs/dbraw/zinc/87/75/00/679877500.db2.gz IFNBHYPDEXAQBT-OAHLLOKOSA-N 1 2 341.440 2.194 20 30 EEEDLO Cc1csc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001024399367 679889852 /nfs/dbraw/zinc/88/98/52/679889852.db2.gz IMGQHYKQNSTFET-HNNXBMFYSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1csc(C[N@H+]2CCCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001024399367 679889853 /nfs/dbraw/zinc/88/98/53/679889853.db2.gz IMGQHYKQNSTFET-HNNXBMFYSA-N 1 2 343.456 2.436 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cnc2n[nH]cc2c1 ZINC001024503697 679992829 /nfs/dbraw/zinc/99/28/29/679992829.db2.gz BWMDYNFNYWZWSV-AWEZNQCLSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnc2n[nH]cc2c1 ZINC001024503697 679992825 /nfs/dbraw/zinc/99/28/25/679992825.db2.gz BWMDYNFNYWZWSV-AWEZNQCLSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ncnc2[nH]ccc21 ZINC001024534730 680057135 /nfs/dbraw/zinc/05/71/35/680057135.db2.gz KMFMOZQPWZYHIK-LBPRGKRZSA-N 1 2 333.823 2.246 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ncnc2[nH]ccc21 ZINC001024534730 680057137 /nfs/dbraw/zinc/05/71/37/680057137.db2.gz KMFMOZQPWZYHIK-LBPRGKRZSA-N 1 2 333.823 2.246 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001059454431 685384021 /nfs/dbraw/zinc/38/40/21/685384021.db2.gz PGJNKMLYQIDZCO-FDYHWXHSSA-N 1 2 339.374 2.283 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001059454431 685384027 /nfs/dbraw/zinc/38/40/27/685384027.db2.gz PGJNKMLYQIDZCO-FDYHWXHSSA-N 1 2 339.374 2.283 20 30 EEEDLO C=CCOC[C@H]([NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)C(=O)OC ZINC000894192772 681203500 /nfs/dbraw/zinc/20/35/00/681203500.db2.gz PIBVQAWRVGAXPW-IKGGRYGDSA-N 1 2 325.449 2.306 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@@H]1C[NH2+]Cc1nc(C2CCC2)no1 ZINC001024959559 681640616 /nfs/dbraw/zinc/64/06/16/681640616.db2.gz CPJHXHLUGIUQDT-MRXNPFEDSA-N 1 2 342.443 2.221 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1nncs1 ZINC001025229560 682261513 /nfs/dbraw/zinc/26/15/13/682261513.db2.gz MDTLUJVXSFYSON-HOTGVXAUSA-N 1 2 344.484 2.297 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@H]1[C@@H]1CCC[N@H+]1Cc1nncs1 ZINC001025229560 682261517 /nfs/dbraw/zinc/26/15/17/682261517.db2.gz MDTLUJVXSFYSON-HOTGVXAUSA-N 1 2 344.484 2.297 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1nncs1 ZINC001025229562 682261669 /nfs/dbraw/zinc/26/16/69/682261669.db2.gz MDTLUJVXSFYSON-JKSUJKDBSA-N 1 2 344.484 2.297 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1nncs1 ZINC001025229562 682261672 /nfs/dbraw/zinc/26/16/72/682261672.db2.gz MDTLUJVXSFYSON-JKSUJKDBSA-N 1 2 344.484 2.297 20 30 EEEDLO C=C(Cl)CN1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001028895868 682441372 /nfs/dbraw/zinc/44/13/72/682441372.db2.gz CZFGYQHQCYGHIP-CQSZACIVSA-N 1 2 345.834 2.072 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C/C(Cl)=C\Cl)C2)nc1 ZINC001028936141 682512253 /nfs/dbraw/zinc/51/22/53/682512253.db2.gz PSSLYFRWQNWVHC-PFLCFFIHSA-N 1 2 338.238 2.434 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C/C(Cl)=C\Cl)C2)nc1 ZINC001028936141 682512254 /nfs/dbraw/zinc/51/22/54/682512254.db2.gz PSSLYFRWQNWVHC-PFLCFFIHSA-N 1 2 338.238 2.434 20 30 EEEDLO CC(F)(F)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001006566155 682686682 /nfs/dbraw/zinc/68/66/82/682686682.db2.gz KTWDMGXUWICQDB-ZDUSSCGKSA-N 1 2 325.334 2.433 20 30 EEEDLO CC(F)(F)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001006566155 682686683 /nfs/dbraw/zinc/68/66/83/682686683.db2.gz KTWDMGXUWICQDB-ZDUSSCGKSA-N 1 2 325.334 2.433 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)no1 ZINC001029511785 685614788 /nfs/dbraw/zinc/61/47/88/685614788.db2.gz BUTMEAPSDFLWQS-MVJTYMMSSA-N 1 2 345.443 2.139 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)no1 ZINC001029511785 685614789 /nfs/dbraw/zinc/61/47/89/685614789.db2.gz BUTMEAPSDFLWQS-MVJTYMMSSA-N 1 2 345.443 2.139 20 30 EEEDLO C#CCC[N@@H+](CCOC)Cc1sc(N2CCOCC2)nc1Cl ZINC000895351798 684533251 /nfs/dbraw/zinc/53/32/51/684533251.db2.gz XEYJUFUOOSKAES-UHFFFAOYSA-N 1 2 343.880 2.105 20 30 EEEDLO C#CCC[N@H+](CCOC)Cc1sc(N2CCOCC2)nc1Cl ZINC000895351798 684533254 /nfs/dbraw/zinc/53/32/54/684533254.db2.gz XEYJUFUOOSKAES-UHFFFAOYSA-N 1 2 343.880 2.105 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2C[C@H](Nc3[nH+]cnc4c3cnn4C)C2)CC1 ZINC001059397978 684767052 /nfs/dbraw/zinc/76/70/52/684767052.db2.gz FJVRFPOTTUKDGJ-HDJSIYSDSA-N 1 2 340.431 2.169 20 30 EEEDLO Cc1cnc(C[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)s1 ZINC000974472017 684962661 /nfs/dbraw/zinc/96/26/61/684962661.db2.gz KGFRUVSOWIHBEC-CQSZACIVSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1cnc(C[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)s1 ZINC000974472017 684962663 /nfs/dbraw/zinc/96/26/63/684962663.db2.gz KGFRUVSOWIHBEC-CQSZACIVSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001058734335 685025802 /nfs/dbraw/zinc/02/58/02/685025802.db2.gz MVXGSORIJLEDEL-AEGPPILISA-N 1 2 327.432 2.248 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)CCCC3)C(C)(C)C1 ZINC000974645170 685164736 /nfs/dbraw/zinc/16/47/36/685164736.db2.gz QXPUBBMKJDSWHO-CQSZACIVSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn3c(n2)CCCC3)C(C)(C)C1 ZINC000974645170 685164740 /nfs/dbraw/zinc/16/47/40/685164740.db2.gz QXPUBBMKJDSWHO-CQSZACIVSA-N 1 2 336.867 2.412 20 30 EEEDLO CCc1nnc(C[N@@H+]2CCC[C@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)s1 ZINC001040125369 687254721 /nfs/dbraw/zinc/25/47/21/687254721.db2.gz DKOZBNHGONPZRV-GUYCJALGSA-N 1 2 347.488 2.075 20 30 EEEDLO CCc1nnc(C[N@H+]2CCC[C@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)s1 ZINC001040125369 687254727 /nfs/dbraw/zinc/25/47/27/687254727.db2.gz DKOZBNHGONPZRV-GUYCJALGSA-N 1 2 347.488 2.075 20 30 EEEDLO COc1ccccc1[C@@H](C)NC(=O)CO[NH+]=C(N)c1ccc(F)cc1 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337.423 2.079 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH]c3cnccc23)C1 ZINC001033367538 1194483602 /nfs/dbraw/zinc/48/36/02/1194483602.db2.gz GLXSBZFXFHNOBS-AWEZNQCLSA-N 1 2 332.835 2.391 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH]c3cnccc23)C1 ZINC001033367538 1194483604 /nfs/dbraw/zinc/48/36/04/1194483604.db2.gz GLXSBZFXFHNOBS-AWEZNQCLSA-N 1 2 332.835 2.391 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC001033471191 1194611818 /nfs/dbraw/zinc/61/18/18/1194611818.db2.gz CTGRERKJZKJMDP-HOCLYGCPSA-N 1 2 338.810 2.414 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC001033471191 1194611820 /nfs/dbraw/zinc/61/18/20/1194611820.db2.gz CTGRERKJZKJMDP-HOCLYGCPSA-N 1 2 338.810 2.414 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2ncc3ccccc32)C1 ZINC001033507751 1194640406 /nfs/dbraw/zinc/64/04/06/1194640406.db2.gz JRNGBOLONNWVRB-OAHLLOKOSA-N 1 2 332.835 2.322 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ncc3ccccc32)C1 ZINC001033507751 1194640408 /nfs/dbraw/zinc/64/04/08/1194640408.db2.gz JRNGBOLONNWVRB-OAHLLOKOSA-N 1 2 332.835 2.322 20 30 EEEDLO Cc1c[nH]c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001033495516 1194647111 /nfs/dbraw/zinc/64/71/11/1194647111.db2.gz VYNHWBUOHRBQMJ-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1c[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001033495516 1194647113 /nfs/dbraw/zinc/64/71/13/1194647113.db2.gz VYNHWBUOHRBQMJ-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1ncc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(C)n1 ZINC001033510062 1194659554 /nfs/dbraw/zinc/65/95/54/1194659554.db2.gz OHUYBDRMCRFWHZ-SFHVURJKSA-N 1 2 349.438 2.312 20 30 EEEDLO Cc1ncc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(C)n1 ZINC001033510062 1194659557 /nfs/dbraw/zinc/65/95/57/1194659557.db2.gz OHUYBDRMCRFWHZ-SFHVURJKSA-N 1 2 349.438 2.312 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3nc(C)oc3C)C2)nc1 ZINC001033595148 1194925844 /nfs/dbraw/zinc/92/58/44/1194925844.db2.gz AVVBZSVCNBIDFQ-MRXNPFEDSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3nc(C)oc3C)C2)nc1 ZINC001033595148 1194925846 /nfs/dbraw/zinc/92/58/46/1194925846.db2.gz AVVBZSVCNBIDFQ-MRXNPFEDSA-N 1 2 338.411 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2coc(COC)n2)C1 ZINC001034002149 1195624623 /nfs/dbraw/zinc/62/46/23/1195624623.db2.gz SJCHEISILZMPPJ-GFCCVEGCSA-N 1 2 327.812 2.110 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2coc(COC)n2)C1 ZINC001034002149 1195624620 /nfs/dbraw/zinc/62/46/20/1195624620.db2.gz SJCHEISILZMPPJ-GFCCVEGCSA-N 1 2 327.812 2.110 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cnc(OCC)cn2)C1 ZINC001034053246 1195683690 /nfs/dbraw/zinc/68/36/90/1195683690.db2.gz AQJIMAGXFVOKNB-CYBMUJFWSA-N 1 2 338.839 2.164 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnc(OCC)cn2)C1 ZINC001034053246 1195683691 /nfs/dbraw/zinc/68/36/91/1195683691.db2.gz AQJIMAGXFVOKNB-CYBMUJFWSA-N 1 2 338.839 2.164 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2c(CC)noc2CC)C1 ZINC001014760181 1224302438 /nfs/dbraw/zinc/30/24/38/1224302438.db2.gz LKHICYCEJQJPIL-LBPRGKRZSA-N 1 2 325.840 2.285 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2c(CC)noc2CC)C1 ZINC001014760181 1224302448 /nfs/dbraw/zinc/30/24/48/1224302448.db2.gz LKHICYCEJQJPIL-LBPRGKRZSA-N 1 2 325.840 2.285 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001409982351 1196139439 /nfs/dbraw/zinc/13/94/39/1196139439.db2.gz ULQJUWAMJKODFC-JTQLQIEISA-N 1 2 345.274 2.342 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001090216039 1196261843 /nfs/dbraw/zinc/26/18/43/1196261843.db2.gz HDOQCSHZYRVJDL-RFUYNDQBSA-N 1 2 344.459 2.391 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3cc(C)on3)C2)nc1 ZINC001034493025 1196282769 /nfs/dbraw/zinc/28/27/69/1196282769.db2.gz KLVNDCXMEJYALJ-MRXNPFEDSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](Cc3cc(C)on3)C2)nc1 ZINC001034493025 1196282772 /nfs/dbraw/zinc/28/27/72/1196282772.db2.gz KLVNDCXMEJYALJ-MRXNPFEDSA-N 1 2 338.411 2.144 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1noc2c1C[C@@H](C)CC2 ZINC001018132243 1224371353 /nfs/dbraw/zinc/37/13/53/1224371353.db2.gz HTAQUVGYDVAYML-SOUVJXGZSA-N 1 2 327.428 2.112 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1noc2c1C[C@@H](C)CC2 ZINC001018132243 1224371360 /nfs/dbraw/zinc/37/13/60/1224371360.db2.gz HTAQUVGYDVAYML-SOUVJXGZSA-N 1 2 327.428 2.112 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4csc(CC)n4)C[C@H]32)CCC1 ZINC001114398005 1197923837 /nfs/dbraw/zinc/92/38/37/1197923837.db2.gz XDCHEYUWLVJTQU-QLPKVWCKSA-N 1 2 343.496 2.446 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4csc(CC)n4)C[C@H]32)CCC1 ZINC001114398005 1197923847 /nfs/dbraw/zinc/92/38/47/1197923847.db2.gz XDCHEYUWLVJTQU-QLPKVWCKSA-N 1 2 343.496 2.446 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)Nc3cccc(F)c3)C[C@H]21 ZINC001114352566 1197948503 /nfs/dbraw/zinc/94/85/03/1197948503.db2.gz CKZIHLNRQKZABW-MNZLEMJZSA-N 1 2 345.418 2.167 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)Nc3cccc(F)c3)C[C@H]21 ZINC001114352566 1197948510 /nfs/dbraw/zinc/94/85/10/1197948510.db2.gz CKZIHLNRQKZABW-MNZLEMJZSA-N 1 2 345.418 2.167 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC001494754748 1198522137 /nfs/dbraw/zinc/52/21/37/1198522137.db2.gz PPSUMUQOLKJSTM-NWDGAFQWSA-N 1 2 326.849 2.130 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC001494754748 1198522138 /nfs/dbraw/zinc/52/21/38/1198522138.db2.gz PPSUMUQOLKJSTM-NWDGAFQWSA-N 1 2 326.849 2.130 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001493042005 1198689099 /nfs/dbraw/zinc/68/90/99/1198689099.db2.gz FDEZXESUULQLBR-ZDUSSCGKSA-N 1 2 331.888 2.118 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001493042005 1198689100 /nfs/dbraw/zinc/68/91/00/1198689100.db2.gz FDEZXESUULQLBR-ZDUSSCGKSA-N 1 2 331.888 2.118 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1noc2c1CCCC2 ZINC001132045881 1199252718 /nfs/dbraw/zinc/25/27/18/1199252718.db2.gz KOKVPIKSUISHTM-GOEBONIOSA-N 1 2 341.455 2.436 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1noc2c1CCCC2 ZINC001132045881 1199252719 /nfs/dbraw/zinc/25/27/19/1199252719.db2.gz KOKVPIKSUISHTM-GOEBONIOSA-N 1 2 341.455 2.436 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(OC)nn2)C1 ZINC001132218248 1199455934 /nfs/dbraw/zinc/45/59/34/1199455934.db2.gz OBVGQSBZVSGZHA-ZIAGYGMSSA-N 1 2 332.448 2.167 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001132218248 1199455937 /nfs/dbraw/zinc/45/59/37/1199455937.db2.gz OBVGQSBZVSGZHA-ZIAGYGMSSA-N 1 2 332.448 2.167 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCC2CCC2)C1 ZINC001132218978 1199457894 /nfs/dbraw/zinc/45/78/94/1199457894.db2.gz YRTLKFIOUWVFTO-GOEBONIOSA-N 1 2 335.492 2.084 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCC2CCC2)C1 ZINC001132218978 1199457897 /nfs/dbraw/zinc/45/78/97/1199457897.db2.gz YRTLKFIOUWVFTO-GOEBONIOSA-N 1 2 335.492 2.084 20 30 EEEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000876530467 1199659662 /nfs/dbraw/zinc/65/96/62/1199659662.db2.gz RPMOTFBOOBATNV-UHFFFAOYSA-N 1 2 329.853 2.359 20 30 EEEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000876530467 1199659664 /nfs/dbraw/zinc/65/96/64/1199659664.db2.gz RPMOTFBOOBATNV-UHFFFAOYSA-N 1 2 329.853 2.359 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001132529549 1199826273 /nfs/dbraw/zinc/82/62/73/1199826273.db2.gz OCFSTYHRTVMYEB-BBRMVZONSA-N 1 2 335.448 2.353 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001132529549 1199826275 /nfs/dbraw/zinc/82/62/75/1199826275.db2.gz OCFSTYHRTVMYEB-BBRMVZONSA-N 1 2 335.448 2.353 20 30 EEEDLO Cc1ccc(NC(=S)N[NH+]=Cc2cnc(N(C)C)n2C)c(C)c1 ZINC000811631073 1200174929 /nfs/dbraw/zinc/17/49/29/1200174929.db2.gz KBPDCIMXFIFMRK-UHFFFAOYSA-N 1 2 330.461 2.423 20 30 EEEDLO C#C[C@@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(C)(C)C ZINC000811991700 1200428466 /nfs/dbraw/zinc/42/84/66/1200428466.db2.gz PLZCDTFEHLMYQG-ZWKOTPCHSA-N 1 2 343.471 2.235 20 30 EEEDLO C#C[C@@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(C)(C)C ZINC000811991700 1200428471 /nfs/dbraw/zinc/42/84/71/1200428471.db2.gz PLZCDTFEHLMYQG-ZWKOTPCHSA-N 1 2 343.471 2.235 20 30 EEEDLO COc1cccc(C[NH+]2CCN(C(=O)c3cc(C#N)[nH]c3C)CC2)c1 ZINC000870159171 1200523328 /nfs/dbraw/zinc/52/33/28/1200523328.db2.gz WBYWABPKCPJLHD-UHFFFAOYSA-N 1 2 338.411 2.161 20 30 EEEDLO C#Cc1cccc(NC(=S)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000795134062 1200758273 /nfs/dbraw/zinc/75/82/73/1200758273.db2.gz YAPMXIZQBVWTPL-PBHICJAKSA-N 1 2 329.469 2.160 20 30 EEEDLO O=C(C#Cc1cccs1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000870997887 1200997954 /nfs/dbraw/zinc/99/79/54/1200997954.db2.gz RNKNYAOFESSFRK-UHFFFAOYSA-N 1 2 343.477 2.364 20 30 EEEDLO Cc1csc(=O)n1CC[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879589308 1201161059 /nfs/dbraw/zinc/16/10/59/1201161059.db2.gz YLANYENHHJNEBZ-UHFFFAOYSA-N 1 2 346.431 2.051 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001018396077 1224671874 /nfs/dbraw/zinc/67/18/74/1224671874.db2.gz ADYFEFYFBPYQAN-CABCVRRESA-N 1 2 344.459 2.194 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)C1CC[NH+](Cc2ccon2)CC1 ZINC001006347972 1202144083 /nfs/dbraw/zinc/14/40/83/1202144083.db2.gz KVQJMDMMYGYCED-UHFFFAOYSA-N 1 2 337.423 2.321 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@@]23CCN(C2COC2)C3=O)ccc1Cl ZINC001274140651 1204402292 /nfs/dbraw/zinc/40/22/92/1204402292.db2.gz FOXRGQQQCVIMGG-SFHVURJKSA-N 1 2 345.830 2.177 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@@]23CCN(C2COC2)C3=O)ccc1Cl ZINC001274140651 1204402294 /nfs/dbraw/zinc/40/22/94/1204402294.db2.gz FOXRGQQQCVIMGG-SFHVURJKSA-N 1 2 345.830 2.177 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3nccc(C)c3Cl)C2)OCC1=O ZINC001274360873 1205007960 /nfs/dbraw/zinc/00/79/60/1205007960.db2.gz OFBZRJRHTKUDIQ-GOSISDBHSA-N 1 2 349.862 2.423 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3nccc(C)c3Cl)C2)OCC1=O ZINC001274360873 1205007963 /nfs/dbraw/zinc/00/79/63/1205007963.db2.gz OFBZRJRHTKUDIQ-GOSISDBHSA-N 1 2 349.862 2.423 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1nc2cc(F)ccc2[nH]1 ZINC001274382214 1205014667 /nfs/dbraw/zinc/01/46/67/1205014667.db2.gz XXROQKDHIUTPTI-LJQANCHMSA-N 1 2 340.402 2.292 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1nc2cc(F)ccc2[nH]1 ZINC001274382214 1205014670 /nfs/dbraw/zinc/01/46/70/1205014670.db2.gz XXROQKDHIUTPTI-LJQANCHMSA-N 1 2 340.402 2.292 20 30 EEEDLO CCCC#CC(=O)N1CC[C@H]2C[C@]21C(=O)Nc1cccc2[nH+]ccn21 ZINC001274684336 1205130245 /nfs/dbraw/zinc/13/02/45/1205130245.db2.gz IPBLFLCEUIQCKC-IFXJQAMLSA-N 1 2 336.395 2.067 20 30 EEEDLO Cn1c[nH+]cc1CN1C(=O)CC[C@@H]2[C@H]1CCN2c1cccc(C#N)c1 ZINC001274821903 1205176290 /nfs/dbraw/zinc/17/62/90/1205176290.db2.gz OJADIYRNHNSUJI-QZTJIDSGSA-N 1 2 335.411 2.062 20 30 EEEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ccncc1 ZINC001274854575 1205187863 /nfs/dbraw/zinc/18/78/63/1205187863.db2.gz CQZLOAHNJCKCCW-QZTJIDSGSA-N 1 2 335.411 2.047 20 30 EEEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ccncc1 ZINC001274854575 1205187866 /nfs/dbraw/zinc/18/78/66/1205187866.db2.gz CQZLOAHNJCKCCW-QZTJIDSGSA-N 1 2 335.411 2.047 20 30 EEEDLO Cc1ncsc1C[N@@H+]1CCC12CN(Cc1ccc(C#N)nc1)C2 ZINC001275295981 1205301758 /nfs/dbraw/zinc/30/17/58/1205301758.db2.gz NEMJQHCIARQBJH-UHFFFAOYSA-N 1 2 325.441 2.179 20 30 EEEDLO Cc1ncsc1C[N@H+]1CCC12CN(Cc1ccc(C#N)nc1)C2 ZINC001275295981 1205301761 /nfs/dbraw/zinc/30/17/61/1205301761.db2.gz NEMJQHCIARQBJH-UHFFFAOYSA-N 1 2 325.441 2.179 20 30 EEEDLO CC(C)NC(=O)N1CC2(C1)CC[NH+](Cc1cc(C#N)ccc1O)CC2 ZINC001275551288 1205407152 /nfs/dbraw/zinc/40/71/52/1205407152.db2.gz UYPIWAPSZXYCJL-UHFFFAOYSA-N 1 2 342.443 2.280 20 30 EEEDLO CCn1ccnc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(F)ccc1C#N ZINC001275597730 1205437967 /nfs/dbraw/zinc/43/79/67/1205437967.db2.gz PLRMISLTMSUZKL-HDICACEKSA-N 1 2 339.418 2.372 20 30 EEEDLO CCn1ccnc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(F)ccc1C#N ZINC001275597730 1205437968 /nfs/dbraw/zinc/43/79/68/1205437968.db2.gz PLRMISLTMSUZKL-HDICACEKSA-N 1 2 339.418 2.372 20 30 EEEDLO Cc1ncsc1C[N@@H+]1CCC12CN(Cc1cccc(C#N)n1)C2 ZINC001275606127 1205441757 /nfs/dbraw/zinc/44/17/57/1205441757.db2.gz WMTMPKNVEGNIQZ-UHFFFAOYSA-N 1 2 325.441 2.179 20 30 EEEDLO Cc1ncsc1C[N@H+]1CCC12CN(Cc1cccc(C#N)n1)C2 ZINC001275606127 1205441759 /nfs/dbraw/zinc/44/17/59/1205441759.db2.gz WMTMPKNVEGNIQZ-UHFFFAOYSA-N 1 2 325.441 2.179 20 30 EEEDLO N#Cc1ccc(CN2CC3(C2)C[NH+](Cc2cccc(=O)[nH]2)C3)c(F)c1 ZINC001275956075 1205601977 /nfs/dbraw/zinc/60/19/77/1205601977.db2.gz DZXJZJPPTUXQCH-UHFFFAOYSA-N 1 2 338.386 2.116 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C)CC1 ZINC001015204057 1224904629 /nfs/dbraw/zinc/90/46/29/1224904629.db2.gz VEBKRIQRTYQCPP-DOTOQJQBSA-N 1 2 344.459 2.125 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c([nH]1)CCOC3)C2 ZINC001095515327 1205850696 /nfs/dbraw/zinc/85/06/96/1205850696.db2.gz DTGAKIRDLHJLRN-INWMFGNUSA-N 1 2 335.835 2.175 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c([nH]1)CCOC3)C2 ZINC001095515327 1205850697 /nfs/dbraw/zinc/85/06/97/1205850697.db2.gz DTGAKIRDLHJLRN-INWMFGNUSA-N 1 2 335.835 2.175 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C)C1 ZINC001015210429 1224917621 /nfs/dbraw/zinc/91/76/21/1224917621.db2.gz WZBSVQLESMHNQF-GJZGRUSLSA-N 1 2 344.459 2.194 20 30 EEEDLO Cc1nonc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000926117627 1206194177 /nfs/dbraw/zinc/19/41/77/1206194177.db2.gz ZVNPRTAWKYSCBD-IAQYHMDHSA-N 1 2 325.372 2.096 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCC1 ZINC001110933450 1206314511 /nfs/dbraw/zinc/31/45/11/1206314511.db2.gz MAAJHFBAWVTGGL-DDBAPUKQSA-N 1 2 347.503 2.369 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCC1 ZINC001110933450 1206314514 /nfs/dbraw/zinc/31/45/14/1206314514.db2.gz MAAJHFBAWVTGGL-DDBAPUKQSA-N 1 2 347.503 2.369 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)no2)C[C@@H]1C ZINC000947039912 1206349309 /nfs/dbraw/zinc/34/93/09/1206349309.db2.gz BPYMMPIZUXBPJR-NWDGAFQWSA-N 1 2 342.237 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)no2)C[C@@H]1C ZINC000947039912 1206349310 /nfs/dbraw/zinc/34/93/10/1206349310.db2.gz BPYMMPIZUXBPJR-NWDGAFQWSA-N 1 2 342.237 2.474 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc3c(c2)C(=O)CCC3)C1 ZINC000930271924 1206545656 /nfs/dbraw/zinc/54/56/56/1206545656.db2.gz SGESLLRWXIBGLZ-INIZCTEOSA-N 1 2 325.412 2.425 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc3c(c2)C(=O)CCC3)C1 ZINC000930271924 1206545657 /nfs/dbraw/zinc/54/56/57/1206545657.db2.gz SGESLLRWXIBGLZ-INIZCTEOSA-N 1 2 325.412 2.425 20 30 EEEDLO C#CCCCC(=O)NC[C@@H]1CN(c2cc[nH+]c(C)n2)CCC1(F)F ZINC001111011598 1207387833 /nfs/dbraw/zinc/38/78/33/1207387833.db2.gz BJGOIFIDCYKYQL-CQSZACIVSA-N 1 2 336.386 2.166 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCC(C)C)C2 ZINC001111104220 1208216173 /nfs/dbraw/zinc/21/61/73/1208216173.db2.gz VTZUCKZHUOUKMF-KURKYZTESA-N 1 2 347.503 2.064 20 30 EEEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCC(C)C)C2 ZINC001111104220 1208216176 /nfs/dbraw/zinc/21/61/76/1208216176.db2.gz VTZUCKZHUOUKMF-KURKYZTESA-N 1 2 347.503 2.064 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2cnns2)[C@@H](C)C1 ZINC000947391643 1208556384 /nfs/dbraw/zinc/55/63/84/1208556384.db2.gz OLEPWKYIUDSEHI-KBPBESRZSA-N 1 2 345.472 2.309 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2cnns2)[C@@H](C)C1 ZINC000947391643 1208556386 /nfs/dbraw/zinc/55/63/86/1208556386.db2.gz OLEPWKYIUDSEHI-KBPBESRZSA-N 1 2 345.472 2.309 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)o3)[C@H](C)C2)cn1 ZINC000947948130 1208789860 /nfs/dbraw/zinc/78/98/60/1208789860.db2.gz KVNSXJVAMITGBJ-DYVFJYSZSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)o3)[C@H](C)C2)cn1 ZINC000947948130 1208789862 /nfs/dbraw/zinc/78/98/62/1208789862.db2.gz KVNSXJVAMITGBJ-DYVFJYSZSA-N 1 2 338.411 2.142 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@H]2CCC[N@H+](Cc3nncn3C)CC2)CC1 ZINC000948747580 1209343267 /nfs/dbraw/zinc/34/32/67/1209343267.db2.gz ZEPDTZBZZZRXQJ-KRWDZBQOSA-N 1 2 345.491 2.374 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3nncn3C)CC2)CC1 ZINC000948747580 1209343269 /nfs/dbraw/zinc/34/32/69/1209343269.db2.gz ZEPDTZBZZZRXQJ-KRWDZBQOSA-N 1 2 345.491 2.374 20 30 EEEDLO C#CCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000948933006 1209460571 /nfs/dbraw/zinc/46/05/71/1209460571.db2.gz RXZMHNYFJYWQSD-UXHICEINSA-N 1 2 339.483 2.210 20 30 EEEDLO C#CCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000948933006 1209460574 /nfs/dbraw/zinc/46/05/74/1209460574.db2.gz RXZMHNYFJYWQSD-UXHICEINSA-N 1 2 339.483 2.210 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnn2ccccc12 ZINC000948969794 1209479757 /nfs/dbraw/zinc/47/97/57/1209479757.db2.gz MMYXFGBOUODRMX-HXUWFJFHSA-N 1 2 344.418 2.297 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnn2ccccc12 ZINC000948969794 1209479758 /nfs/dbraw/zinc/47/97/58/1209479758.db2.gz MMYXFGBOUODRMX-HXUWFJFHSA-N 1 2 344.418 2.297 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC12CCOCC2 ZINC000948989788 1209492902 /nfs/dbraw/zinc/49/29/02/1209492902.db2.gz NMTHSYRXYBKSNX-MOPGFXCFSA-N 1 2 338.451 2.152 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC12CCOCC2 ZINC000948989788 1209492903 /nfs/dbraw/zinc/49/29/03/1209492903.db2.gz NMTHSYRXYBKSNX-MOPGFXCFSA-N 1 2 338.451 2.152 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc([C@@H]4C[C@@H]4C)o3)CC2)C1 ZINC000949362303 1209651159 /nfs/dbraw/zinc/65/11/59/1209651159.db2.gz IRORSOKKVCXGAQ-JKSUJKDBSA-N 1 2 342.439 2.343 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc([C@@H]4C[C@@H]4C)o3)CC2)C1 ZINC000949362303 1209651161 /nfs/dbraw/zinc/65/11/61/1209651161.db2.gz IRORSOKKVCXGAQ-JKSUJKDBSA-N 1 2 342.439 2.343 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2csc([C@H]3CCCO3)n2)C1 ZINC000950094511 1210021137 /nfs/dbraw/zinc/02/11/37/1210021137.db2.gz UDNYOFDKLOMPQG-OAHLLOKOSA-N 1 2 333.457 2.164 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000950917151 1210503795 /nfs/dbraw/zinc/50/37/95/1210503795.db2.gz QLPLRFYJEKVCHK-IFXJQAMLSA-N 1 2 340.427 2.496 20 30 EEEDLO C[C@H](CC(=O)N1CCN(Cc2cccc(C#N)c2)CC1)n1cc[nH+]c1 ZINC000950961918 1210527751 /nfs/dbraw/zinc/52/77/51/1210527751.db2.gz GZHLQTITEIZRRH-MRXNPFEDSA-N 1 2 337.427 2.050 20 30 EEEDLO C=C(C)CCC(=O)N[C@]1(CO)CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001111360138 1210709137 /nfs/dbraw/zinc/70/91/37/1210709137.db2.gz YDXDGZBDSJLHRY-LJQANCHMSA-N 1 2 346.475 2.206 20 30 EEEDLO C=C1CCC(C(=O)N(CC)C2C[NH+](CCc3ccnn3C)C2)CC1 ZINC000951620173 1210921825 /nfs/dbraw/zinc/92/18/25/1210921825.db2.gz WEXLPZUBJWDCET-UHFFFAOYSA-N 1 2 330.476 2.242 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)c1cnco1 ZINC001015444662 1225263327 /nfs/dbraw/zinc/26/33/27/1225263327.db2.gz UDHHCGUWIMZUEI-OAHLLOKOSA-N 1 2 329.787 2.184 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)c1cnco1 ZINC001015444662 1225263334 /nfs/dbraw/zinc/26/33/34/1225263334.db2.gz UDHHCGUWIMZUEI-OAHLLOKOSA-N 1 2 329.787 2.184 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC000953385325 1211789976 /nfs/dbraw/zinc/78/99/76/1211789976.db2.gz RAUZGVOUOBOUOA-CABCVRRESA-N 1 2 344.459 2.004 20 30 EEEDLO C[C@H](C#N)Oc1ccc(C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000245709956 1212519185 /nfs/dbraw/zinc/51/91/85/1212519185.db2.gz FUUVMDFYIWPSSZ-ZIAGYGMSSA-N 1 2 336.457 2.375 20 30 EEEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000245709956 1212519189 /nfs/dbraw/zinc/51/91/89/1212519189.db2.gz FUUVMDFYIWPSSZ-ZIAGYGMSSA-N 1 2 336.457 2.375 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC(N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000955268330 1212962172 /nfs/dbraw/zinc/96/21/72/1212962172.db2.gz RBKUPNVNGFNABU-KUHUBIRLSA-N 1 2 344.459 2.101 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(C)(C)COC ZINC001114611265 1213269214 /nfs/dbraw/zinc/26/92/14/1213269214.db2.gz UAKHHYIMDANXFX-IMRBUKKESA-N 1 2 345.281 2.004 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(C)(C)COC ZINC001114611265 1213269216 /nfs/dbraw/zinc/26/92/16/1213269216.db2.gz UAKHHYIMDANXFX-IMRBUKKESA-N 1 2 345.281 2.004 20 30 EEEDLO Cc1nocc1C(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001015642860 1225499821 /nfs/dbraw/zinc/49/98/21/1225499821.db2.gz FRLDFZZREGLWOK-INIZCTEOSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1nocc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001015642860 1225499823 /nfs/dbraw/zinc/49/98/23/1225499823.db2.gz FRLDFZZREGLWOK-INIZCTEOSA-N 1 2 343.814 2.492 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)C(C)C)C2)CC1 ZINC000956598913 1214121598 /nfs/dbraw/zinc/12/15/98/1214121598.db2.gz 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C[C@@H](CC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H]1CCCO1 ZINC000957463099 1215142227 /nfs/dbraw/zinc/14/22/27/1215142227.db2.gz WKOBPBBVLIDCGH-LPHOPBHVSA-N 1 2 341.455 2.408 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC000957469330 1215146149 /nfs/dbraw/zinc/14/61/49/1215146149.db2.gz LEANNDJVDWJAJC-UHFFFAOYSA-N 1 2 328.416 2.001 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2Cc3ccncc3C2)C1 ZINC001015709627 1225581452 /nfs/dbraw/zinc/58/14/52/1225581452.db2.gz AJMJRLZFGWZWJZ-ICSRJNTNSA-N 1 2 346.434 2.059 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2Cc3ccncc3C2)C1 ZINC001015709627 1225581455 /nfs/dbraw/zinc/58/14/55/1225581455.db2.gz AJMJRLZFGWZWJZ-ICSRJNTNSA-N 1 2 346.434 2.059 20 30 EEEDLO O=C(C#CC1CC1)N1CCC2(CC1)CC[NH+](Cc1csnn1)CC2 ZINC000957547301 1215200230 /nfs/dbraw/zinc/20/02/30/1215200230.db2.gz ADFLVENORIJHQU-UHFFFAOYSA-N 1 2 344.484 2.156 20 30 EEEDLO C[C@@H](C[C@H]1CCCO1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000957846271 1215455307 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/nfs/dbraw/zinc/19/19/10/1226191910.db2.gz BPEPCNJTTCNOQV-INIZCTEOSA-N 1 2 340.452 2.256 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001014370681 1226536584 /nfs/dbraw/zinc/53/65/84/1226536584.db2.gz OBCCUMOTGDZPRD-BEFAXECRSA-N 1 2 344.459 2.113 20 30 EEEDLO CC(C)CCc1noc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)n1 ZINC001054627050 1248762576 /nfs/dbraw/zinc/76/25/76/1248762576.db2.gz DNWYZWHFMWWCFG-GDBMZVCRSA-N 1 2 344.459 2.008 20 30 EEEDLO Cc1ncc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(C#N)[nH]2)s1 ZINC001017481268 1227456495 /nfs/dbraw/zinc/45/64/95/1227456495.db2.gz ZUYHYBCLTYVYQX-OKILXGFUSA-N 1 2 341.440 2.140 20 30 EEEDLO Cc1ncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(C#N)[nH]2)s1 ZINC001017481268 1227456500 /nfs/dbraw/zinc/45/65/00/1227456500.db2.gz ZUYHYBCLTYVYQX-OKILXGFUSA-N 1 2 341.440 2.140 20 30 EEEDLO CCCCc1noc([C@H](C)[NH2+][C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001018819156 1228428567 /nfs/dbraw/zinc/42/85/67/1228428567.db2.gz 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C=CCn1cccc1C(=O)N1CC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001040866188 1231391392 /nfs/dbraw/zinc/39/13/92/1231391392.db2.gz FKJGLHHCXTYNQJ-DOTOQJQBSA-N 1 2 337.427 2.123 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCCO[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001041518467 1231576964 /nfs/dbraw/zinc/57/69/64/1231576964.db2.gz AZRVUIYBOCNGID-HNNXBMFYSA-N 1 2 332.448 2.417 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)CSC)C[C@@H]21 ZINC001041921278 1231766501 /nfs/dbraw/zinc/76/65/01/1231766501.db2.gz URRCPYRKYDCELV-NEPJUHHUSA-N 1 2 333.295 2.181 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)CSC)C[C@@H]21 ZINC001041921278 1231766499 /nfs/dbraw/zinc/76/64/99/1231766499.db2.gz URRCPYRKYDCELV-NEPJUHHUSA-N 1 2 333.295 2.181 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3ncnn3CCC)[C@@H]2C1 ZINC001042186448 1231944679 /nfs/dbraw/zinc/94/46/79/1231944679.db2.gz HIJBUKDCWGRCGA-JKSUJKDBSA-N 1 2 345.491 2.323 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3ncnn3CCC)[C@@H]2C1 ZINC001042186448 1231944680 /nfs/dbraw/zinc/94/46/80/1231944680.db2.gz HIJBUKDCWGRCGA-JKSUJKDBSA-N 1 2 345.491 2.323 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@H]1C[NH2+][C@H](C)c1noc(C)n1 ZINC001045070831 1233484005 /nfs/dbraw/zinc/48/40/05/1233484005.db2.gz YGLOWAYFDKTNBN-HIFRSBDPSA-N 1 2 343.431 2.321 20 30 EEEDLO C=C[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(C)no1)c1ccccc1 ZINC001045319332 1233664966 /nfs/dbraw/zinc/66/49/66/1233664966.db2.gz CLNZATPVHCCGKQ-IRXDYDNUSA-N 1 2 340.427 2.428 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1Cc3ccncc3C1)C2 ZINC001096019577 1233672074 /nfs/dbraw/zinc/67/20/74/1233672074.db2.gz OGMZYDKTWPLCIU-SIXLDLHFSA-N 1 2 331.847 2.270 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1Cc3ccncc3C1)C2 ZINC001096019577 1233672077 /nfs/dbraw/zinc/67/20/77/1233672077.db2.gz OGMZYDKTWPLCIU-SIXLDLHFSA-N 1 2 331.847 2.270 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2[nH]cnc2C)CC1 ZINC001045652736 1233885241 /nfs/dbraw/zinc/88/52/41/1233885241.db2.gz NMOJTKDOKWZELT-UHFFFAOYSA-N 1 2 341.253 2.211 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(CC)nn1 ZINC001045827923 1234042296 /nfs/dbraw/zinc/04/22/96/1234042296.db2.gz WSOJAINKPZXGCM-CVEARBPZSA-N 1 2 331.464 2.076 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(CC)nn1 ZINC001045827923 1234042302 /nfs/dbraw/zinc/04/23/02/1234042302.db2.gz WSOJAINKPZXGCM-CVEARBPZSA-N 1 2 331.464 2.076 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC000800365468 1234076626 /nfs/dbraw/zinc/07/66/26/1234076626.db2.gz YLGQYUHKPDCYFU-BFHYXJOUSA-N 1 2 326.437 2.339 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC000800365468 1234076628 /nfs/dbraw/zinc/07/66/28/1234076628.db2.gz YLGQYUHKPDCYFU-BFHYXJOUSA-N 1 2 326.437 2.339 20 30 EEEDLO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)ccc1Cl ZINC001046056971 1234386853 /nfs/dbraw/zinc/38/68/53/1234386853.db2.gz JEXZDOXZPBHOAI-MRXNPFEDSA-N 1 2 346.862 2.004 20 30 EEEDLO C[C@]1(NC(=O)c2cn[nH]c2)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046159960 1234502122 /nfs/dbraw/zinc/50/21/22/1234502122.db2.gz CHFUKECOMHCVHR-SFHVURJKSA-N 1 2 342.830 2.309 20 30 EEEDLO C[C@]1(NC(=O)c2cn[nH]c2)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046159960 1234502125 /nfs/dbraw/zinc/50/21/25/1234502125.db2.gz CHFUKECOMHCVHR-SFHVURJKSA-N 1 2 342.830 2.309 20 30 EEEDLO Cc1n[nH]c(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(C#N)cc3)C2)c1C ZINC001046199646 1234545656 /nfs/dbraw/zinc/54/56/56/1234545656.db2.gz JJSKJLIPQXMPMC-IBGZPJMESA-N 1 2 337.427 2.293 20 30 EEEDLO Cc1n[nH]c(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3)C2)c1C ZINC001046199646 1234545659 /nfs/dbraw/zinc/54/56/59/1234545659.db2.gz JJSKJLIPQXMPMC-IBGZPJMESA-N 1 2 337.427 2.293 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cn3c(n2)C[C@@H](C)CC3)C1 ZINC001046418081 1234779971 /nfs/dbraw/zinc/77/99/71/1234779971.db2.gz NDRGBJVUCPXKJM-YVEFUNNKSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cn3c(n2)C[C@@H](C)CC3)C1 ZINC001046418081 1234779978 /nfs/dbraw/zinc/77/99/78/1234779978.db2.gz NDRGBJVUCPXKJM-YVEFUNNKSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001046522101 1234901622 /nfs/dbraw/zinc/90/16/22/1234901622.db2.gz NZHHKTGFHDRAIM-KRWDZBQOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001046522101 1234901626 /nfs/dbraw/zinc/90/16/26/1234901626.db2.gz NZHHKTGFHDRAIM-KRWDZBQOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001046631231 1235013723 /nfs/dbraw/zinc/01/37/23/1235013723.db2.gz CGKDPFBTZHXRQL-VKJFTORMSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001046631231 1235013725 /nfs/dbraw/zinc/01/37/25/1235013725.db2.gz CGKDPFBTZHXRQL-VKJFTORMSA-N 1 2 349.862 2.407 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(OCC)s2)C1 ZINC001054964914 1249484774 /nfs/dbraw/zinc/48/47/74/1249484774.db2.gz AEGFRRIYUAJZIS-VXGBXAGGSA-N 1 2 338.477 2.086 20 30 EEEDLO CC/C=C(\C)C(=O)NCC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC001096268644 1236890117 /nfs/dbraw/zinc/89/01/17/1236890117.db2.gz KCEFSWCQWGRVAT-PJQLUOCWSA-N 1 2 344.434 2.292 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056409629 1239335752 /nfs/dbraw/zinc/33/57/52/1239335752.db2.gz XABOKDVROCOVCZ-LSDHHAIUSA-N 1 2 344.459 2.146 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001056518927 1239426801 /nfs/dbraw/zinc/42/68/01/1239426801.db2.gz RTAMBNMWEXSOSA-BBWFWOEESA-N 1 2 344.459 2.077 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001056518930 1239426811 /nfs/dbraw/zinc/42/68/11/1239426811.db2.gz RTAMBNMWEXSOSA-YESZJQIVSA-N 1 2 344.459 2.077 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056527189 1239430757 /nfs/dbraw/zinc/43/07/57/1239430757.db2.gz 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C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000803345601 1240170392 /nfs/dbraw/zinc/17/03/92/1240170392.db2.gz DQIQQDJMKSYMGK-HNNXBMFYSA-N 1 2 340.427 2.350 20 30 EEEDLO C=C[C@](C)(O)Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000903297099 1240199172 /nfs/dbraw/zinc/19/91/72/1240199172.db2.gz AWTVKUVRBMAKHY-SFHVURJKSA-N 1 2 329.400 2.048 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CC12CCN(c1cc[nH+]c(C)n1)CC2 ZINC001096514025 1240721705 /nfs/dbraw/zinc/72/17/05/1240721705.db2.gz WSACBDDSMMZCQW-GDBMZVCRSA-N 1 2 344.459 2.241 20 30 EEEDLO N#Cc1cc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2nccs2)c[nH]1 ZINC001049425568 1240878396 /nfs/dbraw/zinc/87/83/96/1240878396.db2.gz NMVKRFKVCDBUDH-HUUCEWRRSA-N 1 2 341.440 2.222 20 30 EEEDLO N#Cc1cc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2nccs2)c[nH]1 ZINC001049425568 1240878400 /nfs/dbraw/zinc/87/84/00/1240878400.db2.gz NMVKRFKVCDBUDH-HUUCEWRRSA-N 1 2 341.440 2.222 20 30 EEEDLO C=C[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C)no2)C1)c1ccccc1 ZINC001000973164 1241349687 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346.475 2.229 20 30 EEEDLO C#CCCCC(=O)NC1CCC(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001097624926 1244445685 /nfs/dbraw/zinc/44/56/85/1244445685.db2.gz OVKWGDLVHVFELY-UHFFFAOYSA-N 1 2 340.431 2.006 20 30 EEEDLO Cc1nc(N[C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)ccc1C#N ZINC001057630832 1244488704 /nfs/dbraw/zinc/48/87/04/1244488704.db2.gz GOAOAGQXDRFLAN-HNNXBMFYSA-N 1 2 338.415 2.021 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc2ccccc2n1 ZINC001050955214 1244720789 /nfs/dbraw/zinc/72/07/89/1244720789.db2.gz DRCICWLRIDTXHQ-OAHLLOKOSA-N 1 2 340.427 2.027 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc2ccccc2n1 ZINC001050955214 1244720794 /nfs/dbraw/zinc/72/07/94/1244720794.db2.gz DRCICWLRIDTXHQ-OAHLLOKOSA-N 1 2 340.427 2.027 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1C2CC3CC(C2)CC1C3 ZINC001050955633 1244721528 /nfs/dbraw/zinc/72/15/28/1244721528.db2.gz NCENSYPHFUXAML-YXOSVLIBSA-N 1 2 332.488 2.452 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1C2CC3CC(C2)CC1C3 ZINC001050955633 1244721536 /nfs/dbraw/zinc/72/15/36/1244721536.db2.gz NCENSYPHFUXAML-YXOSVLIBSA-N 1 2 332.488 2.452 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC001050956660 1244723265 /nfs/dbraw/zinc/72/32/65/1244723265.db2.gz WSVVHNXZAMYBKA-SJLPKXTDSA-N 1 2 344.455 2.118 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC001050956660 1244723271 /nfs/dbraw/zinc/72/32/71/1244723271.db2.gz WSVVHNXZAMYBKA-SJLPKXTDSA-N 1 2 344.455 2.118 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnc(-c2ccco2)c1 ZINC001050971613 1244756763 /nfs/dbraw/zinc/75/67/63/1244756763.db2.gz XXBJPRIXZUFBLA-MRXNPFEDSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnc(-c2ccco2)c1 ZINC001050971613 1244756771 /nfs/dbraw/zinc/75/67/71/1244756771.db2.gz XXBJPRIXZUFBLA-MRXNPFEDSA-N 1 2 341.411 2.348 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2c(cn1)CCCC2 ZINC001051018164 1244857307 /nfs/dbraw/zinc/85/73/07/1244857307.db2.gz VGVGSGZOOAOHFQ-GOSISDBHSA-N 1 2 343.471 2.357 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2c(cn1)CCCC2 ZINC001051018164 1244857313 /nfs/dbraw/zinc/85/73/13/1244857313.db2.gz VGVGSGZOOAOHFQ-GOSISDBHSA-N 1 2 343.471 2.357 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)[nH]1 ZINC001097867850 1244865954 /nfs/dbraw/zinc/86/59/54/1244865954.db2.gz OBGCGAHAPRPRKT-KURKYZTESA-N 1 2 349.438 2.434 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)[nH]1 ZINC001097867850 1244865965 /nfs/dbraw/zinc/86/59/65/1244865965.db2.gz OBGCGAHAPRPRKT-KURKYZTESA-N 1 2 349.438 2.434 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c[nH]nc1-c1ccccc1 ZINC001051049190 1244906373 /nfs/dbraw/zinc/90/63/73/1244906373.db2.gz HRDFFSRDMAZHSR-MRXNPFEDSA-N 1 2 340.427 2.083 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c[nH]nc1-c1ccccc1 ZINC001051049190 1244906380 /nfs/dbraw/zinc/90/63/80/1244906380.db2.gz HRDFFSRDMAZHSR-MRXNPFEDSA-N 1 2 340.427 2.083 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CC2CC(F)(F)C2)cc1 ZINC001051062953 1244929236 /nfs/dbraw/zinc/92/92/36/1244929236.db2.gz PXQLABAZQOPVQG-QGZVFWFLSA-N 1 2 348.393 2.144 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CC2CC(F)(F)C2)cc1 ZINC001051062953 1244929248 /nfs/dbraw/zinc/92/92/48/1244929248.db2.gz PXQLABAZQOPVQG-QGZVFWFLSA-N 1 2 348.393 2.144 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)nc1C1CCCC1 ZINC001051108033 1244992582 /nfs/dbraw/zinc/99/25/82/1244992582.db2.gz XMILZFMBFAKKPI-INIZCTEOSA-N 1 2 346.475 2.084 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)nc1C1CCCC1 ZINC001051108033 1244992590 /nfs/dbraw/zinc/99/25/90/1244992590.db2.gz XMILZFMBFAKKPI-INIZCTEOSA-N 1 2 346.475 2.084 20 30 EEEDLO C#CCC[N@H+]1CCc2c(CNC(=O)c3[nH]nc(C)c3C)cccc2C1 ZINC001051283381 1245475263 /nfs/dbraw/zinc/47/52/63/1245475263.db2.gz JGXAOXHPTDECEP-UHFFFAOYSA-N 1 2 336.439 2.338 20 30 EEEDLO C#CCC[N@@H+]1CCc2c(CNC(=O)c3[nH]nc(C)c3C)cccc2C1 ZINC001051283381 1245475267 /nfs/dbraw/zinc/47/52/67/1245475267.db2.gz JGXAOXHPTDECEP-UHFFFAOYSA-N 1 2 336.439 2.338 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001051288817 1245481367 /nfs/dbraw/zinc/48/13/67/1245481367.db2.gz QGOMHQGFDVBJBB-HOTGVXAUSA-N 1 2 346.475 2.229 20 30 EEEDLO C#CCCCC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)c3csnn3)C[C@@]2(C)C1 ZINC001101217631 1245531172 /nfs/dbraw/zinc/53/11/72/1245531172.db2.gz DRRUKKDNOTYVOR-VBQJREDUSA-N 1 2 332.473 2.183 20 30 EEEDLO C#CCCCC(=O)N1C[C@H]2C[N@H+]([C@@H](C)c3csnn3)C[C@@]2(C)C1 ZINC001101217631 1245531177 /nfs/dbraw/zinc/53/11/77/1245531177.db2.gz DRRUKKDNOTYVOR-VBQJREDUSA-N 1 2 332.473 2.183 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nc(C)no3)C[C@@]2(C)C1 ZINC001101338128 1245682444 /nfs/dbraw/zinc/68/24/44/1245682444.db2.gz XURQEQXPWUFVLD-RKVPGOIHSA-N 1 2 332.448 2.261 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C)no3)C[C@@]2(C)C1 ZINC001101338128 1245682450 /nfs/dbraw/zinc/68/24/50/1245682450.db2.gz XURQEQXPWUFVLD-RKVPGOIHSA-N 1 2 332.448 2.261 20 30 EEEDLO C[C@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001101824184 1246213302 /nfs/dbraw/zinc/21/33/02/1246213302.db2.gz YKTJFYDWWBDJDR-GMTAPVOTSA-N 1 2 326.853 2.140 20 30 EEEDLO C[C@H](C#N)C(=O)NC[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001101824184 1246213310 /nfs/dbraw/zinc/21/33/10/1246213310.db2.gz YKTJFYDWWBDJDR-GMTAPVOTSA-N 1 2 326.853 2.140 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](c1ccncc1)C(C)C)CCO2 ZINC001053395188 1246279654 /nfs/dbraw/zinc/27/96/54/1246279654.db2.gz WVLXGIHJIKTUNK-GOSISDBHSA-N 1 2 343.471 2.311 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCOC3(C[NH+](C[C@H]4CC(C)(C)CO4)C3)C2)C1 ZINC001053417956 1246308654 /nfs/dbraw/zinc/30/86/54/1246308654.db2.gz IHONKXJNYTUHLI-MRXNPFEDSA-N 1 2 348.487 2.071 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc3scnc3c1)CCO2 ZINC001053495391 1246395450 /nfs/dbraw/zinc/39/54/50/1246395450.db2.gz IZXICZRGSIQELF-UHFFFAOYSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1Cc3c1cccc3Cl)CCO2 ZINC001053547372 1246459280 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C=CCC1(C(=O)N2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)CCCC1 ZINC001070965912 1286650361 /nfs/dbraw/zinc/65/03/61/1286650361.db2.gz ABIKEWFDFFLWCX-OAHLLOKOSA-N 1 2 344.459 2.196 20 30 EEEDLO N#Cc1ccccc1OCCN1CC[C@@]2(CC[N@@H+](CC(F)F)C2)C1=O ZINC001273847822 1286714174 /nfs/dbraw/zinc/71/41/74/1286714174.db2.gz KMOZVWAZMPVBGV-GOSISDBHSA-N 1 2 349.381 2.127 20 30 EEEDLO N#Cc1ccccc1OCCN1CC[C@@]2(CC[N@H+](CC(F)F)C2)C1=O ZINC001273847822 1286714187 /nfs/dbraw/zinc/71/41/87/1286714187.db2.gz KMOZVWAZMPVBGV-GOSISDBHSA-N 1 2 349.381 2.127 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)C(F)F)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001071288837 1287048478 /nfs/dbraw/zinc/04/84/78/1287048478.db2.gz QMWJJIYZGRZDGN-GXFFZTMASA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)C(F)F)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001071288837 1287048500 /nfs/dbraw/zinc/04/85/00/1287048500.db2.gz QMWJJIYZGRZDGN-GXFFZTMASA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2cnn(C)c2)C[N@@H+]1Cc1ccccc1C#N ZINC001071338396 1287204924 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C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)cncc3C)C[C@@H]21 ZINC001074296051 1297996198 /nfs/dbraw/zinc/99/61/98/1297996198.db2.gz BJLATUOGVOCBFS-DLBZAZTESA-N 1 2 329.444 2.190 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc[nH]c3CCC)C[C@@H]21 ZINC001074319093 1298023350 /nfs/dbraw/zinc/02/33/50/1298023350.db2.gz GEINYZNLLJHSQD-ZWKOTPCHSA-N 1 2 331.460 2.459 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc[nH]c3CCC)C[C@@H]21 ZINC001074319093 1298023351 /nfs/dbraw/zinc/02/33/51/1298023351.db2.gz GEINYZNLLJHSQD-ZWKOTPCHSA-N 1 2 331.460 2.459 20 30 EEEDLO CCC(=CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O)CC ZINC001219455556 1298027897 /nfs/dbraw/zinc/02/78/97/1298027897.db2.gz OZUNNYAZTCCCBZ-MSOLQXFVSA-N 1 2 345.418 2.105 20 30 EEEDLO CCC(=CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O)CC ZINC001219455556 1298027906 /nfs/dbraw/zinc/02/79/06/1298027906.db2.gz OZUNNYAZTCCCBZ-MSOLQXFVSA-N 1 2 345.418 2.105 20 30 EEEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3csc(Cl)n3)C[C@@H]21 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2.276 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)C1CCCCC1 ZINC001231178981 1303668991 /nfs/dbraw/zinc/66/89/91/1303668991.db2.gz PFFGIRILMOJNNG-QGZVFWFLSA-N 1 2 335.492 2.276 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)CC1CCOCC1 ZINC001231376131 1303759331 /nfs/dbraw/zinc/75/93/31/1303759331.db2.gz BCRSXCGAVBUVQA-IBGZPJMESA-N 1 2 341.455 2.408 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)CC1CCOCC1 ZINC001231376131 1303759335 /nfs/dbraw/zinc/75/93/35/1303759335.db2.gz BCRSXCGAVBUVQA-IBGZPJMESA-N 1 2 341.455 2.408 20 30 EEEDLO COc1cc(C#N)ccc1C[NH+]1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001231618624 1303866630 /nfs/dbraw/zinc/86/66/30/1303866630.db2.gz PVEADPLTDNAUCG-UHFFFAOYSA-N 1 2 345.443 2.026 20 30 EEEDLO COC(=O)C1(C#N)CC[NH+](Cc2cnc(-c3cccnc3)o2)CC1 ZINC001232134530 1304010940 /nfs/dbraw/zinc/01/09/40/1304010940.db2.gz FBYJWVWOKPWAIJ-UHFFFAOYSA-N 1 2 326.356 2.015 20 30 EEEDLO C#CCN1c2ccccc2[C@]2(CC[N@H+](Cc3n[nH]c4c3CCC4)C2)C1=O ZINC001277725711 1304274031 /nfs/dbraw/zinc/27/40/31/1304274031.db2.gz DMPRWAJWIIZDGI-OAQYLSRUSA-N 1 2 346.434 2.022 20 30 EEEDLO C#CCN1c2ccccc2[C@]2(CC[N@@H+](Cc3n[nH]c4c3CCC4)C2)C1=O ZINC001277725711 1304274036 /nfs/dbraw/zinc/27/40/36/1304274036.db2.gz DMPRWAJWIIZDGI-OAQYLSRUSA-N 1 2 346.434 2.022 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)CCCN(C)c1[nH+]cnc2c1cnn2C ZINC001112162897 1304288640 /nfs/dbraw/zinc/28/86/40/1304288640.db2.gz YAUQNPBZZNMYER-CQSZACIVSA-N 1 2 344.463 2.250 20 30 EEEDLO Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c(C#N)c1 ZINC001232966128 1304308804 /nfs/dbraw/zinc/30/88/04/1304308804.db2.gz GQRLMGUBHMVYPE-GOSISDBHSA-N 1 2 327.428 2.080 20 30 EEEDLO Cc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c(C#N)c1 ZINC001232966128 1304308810 /nfs/dbraw/zinc/30/88/10/1304308810.db2.gz GQRLMGUBHMVYPE-GOSISDBHSA-N 1 2 327.428 2.080 20 30 EEEDLO Cc1ccc(CN2CCCn3nnc(Cn4cc[nH+]c4)c3C2)c(C#N)c1 ZINC001232965230 1304309022 /nfs/dbraw/zinc/30/90/22/1304309022.db2.gz RFFREUGJMZVTEC-UHFFFAOYSA-N 1 2 347.426 2.109 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@](CO)(Nc2cc[nH+]c(C)n2)C1 ZINC001112229821 1304353847 /nfs/dbraw/zinc/35/38/47/1304353847.db2.gz KZKSKHXDNGKMJL-SFHVURJKSA-N 1 2 332.448 2.153 20 30 EEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](CO)C1 ZINC001233083080 1304356684 /nfs/dbraw/zinc/35/66/84/1304356684.db2.gz UDQXXFKLYBEVJS-QGZVFWFLSA-N 1 2 345.443 2.280 20 30 EEEDLO Cc1cc(C#N)ccc1C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](CO)C1 ZINC001233083080 1304356692 /nfs/dbraw/zinc/35/66/92/1304356692.db2.gz UDQXXFKLYBEVJS-QGZVFWFLSA-N 1 2 345.443 2.280 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)COC(C)(C)C ZINC001233802293 1304598498 /nfs/dbraw/zinc/59/84/98/1304598498.db2.gz VORICAVAMJWREC-CYBMUJFWSA-N 1 2 335.473 2.468 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)COC(C)(C)C ZINC001233802293 1304598501 /nfs/dbraw/zinc/59/85/01/1304598501.db2.gz VORICAVAMJWREC-CYBMUJFWSA-N 1 2 335.473 2.468 20 30 EEEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCC3(C#N)CC3)CC2)cc1 ZINC000797464982 1304750466 /nfs/dbraw/zinc/75/04/66/1304750466.db2.gz JHNYTXVIOKMMMC-UHFFFAOYSA-N 1 2 341.459 2.324 20 30 EEEDLO C=C(Cl)CN1CC[C@@H]1CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001234435414 1304921136 /nfs/dbraw/zinc/92/11/36/1304921136.db2.gz GVOWRSUVFJZENA-OAHLLOKOSA-N 1 2 336.867 2.047 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N[C@H](C)C(C)C ZINC001234538439 1304957916 /nfs/dbraw/zinc/95/79/16/1304957916.db2.gz YKWQGQZGTOPYDR-HZPDHXFCSA-N 1 2 337.508 2.282 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N[C@H](C)C(C)C ZINC001234538439 1304957918 /nfs/dbraw/zinc/95/79/18/1304957918.db2.gz YKWQGQZGTOPYDR-HZPDHXFCSA-N 1 2 337.508 2.282 20 30 EEEDLO COc1cccc(O)c1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000798274888 1304968381 /nfs/dbraw/zinc/96/83/81/1304968381.db2.gz LMDDTADZFRUHQD-GXTWGEPZSA-N 1 2 347.415 2.249 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NCCC(C)C ZINC001234626053 1304991290 /nfs/dbraw/zinc/99/12/90/1304991290.db2.gz PWIDUQXNEZQPCH-IRXDYDNUSA-N 1 2 337.508 2.426 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NCCC(C)C ZINC001234626053 1304991294 /nfs/dbraw/zinc/99/12/94/1304991294.db2.gz PWIDUQXNEZQPCH-IRXDYDNUSA-N 1 2 337.508 2.426 20 30 EEEDLO C=C(C)[C@H](CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnoc1C)OCC ZINC001234645031 1304999227 /nfs/dbraw/zinc/99/92/27/1304999227.db2.gz YCSBMYJGPMHTDJ-SJORKVTESA-N 1 2 335.448 2.387 20 30 EEEDLO C=C(C)[C@H](CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnoc1C)OCC ZINC001234645031 1304999233 /nfs/dbraw/zinc/99/92/33/1304999233.db2.gz YCSBMYJGPMHTDJ-SJORKVTESA-N 1 2 335.448 2.387 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CN(C)C(=O)C2(CC(C)C)CC2)C1=O ZINC001235190351 1305141012 /nfs/dbraw/zinc/14/10/12/1305141012.db2.gz BHVYUHGZAMTLPJ-IRXDYDNUSA-N 1 2 347.503 2.132 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CN(C)C(=O)C2(CC(C)C)CC2)C1=O ZINC001235190351 1305141017 /nfs/dbraw/zinc/14/10/17/1305141017.db2.gz BHVYUHGZAMTLPJ-IRXDYDNUSA-N 1 2 347.503 2.132 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2ccccc2CC#N)CCO1 ZINC001235517579 1305263009 /nfs/dbraw/zinc/26/30/09/1305263009.db2.gz ZGXLTLMNXRVXMC-KRWDZBQOSA-N 1 2 345.443 2.478 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2CC#N)CCO1 ZINC001235517579 1305263018 /nfs/dbraw/zinc/26/30/18/1305263018.db2.gz ZGXLTLMNXRVXMC-KRWDZBQOSA-N 1 2 345.443 2.478 20 30 EEEDLO Cn1cc2c(n1)C[N@@H+](Cc1ccnc(C#N)c1)C[C@@H]2COCC1CC1 ZINC001237463076 1305945106 /nfs/dbraw/zinc/94/51/06/1305945106.db2.gz LYEPCJHBYVHPBL-MRXNPFEDSA-N 1 2 337.427 2.213 20 30 EEEDLO Cn1cc2c(n1)C[N@H+](Cc1ccnc(C#N)c1)C[C@@H]2COCC1CC1 ZINC001237463076 1305945108 /nfs/dbraw/zinc/94/51/08/1305945108.db2.gz LYEPCJHBYVHPBL-MRXNPFEDSA-N 1 2 337.427 2.213 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)ccn1 ZINC001237463518 1305945396 /nfs/dbraw/zinc/94/53/96/1305945396.db2.gz PKSGQJYVKCIHEP-QGZVFWFLSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)ccn1 ZINC001237463518 1305945397 /nfs/dbraw/zinc/94/53/97/1305945397.db2.gz PKSGQJYVKCIHEP-QGZVFWFLSA-N 1 2 338.386 2.487 20 30 EEEDLO CCCCCCCCCCNC(=S)N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001239368132 1309090854 /nfs/dbraw/zinc/09/08/54/1309090854.db2.gz DIQYWKWMPHFULF-GJZGRUSLSA-N 1 2 343.537 2.495 20 30 EEEDLO CN(C)C(=O)[C@H]1CCSC12C[NH+](Cc1ccc(C#N)cc1F)C2 ZINC001278305759 1309220148 /nfs/dbraw/zinc/22/01/48/1309220148.db2.gz KTGJBNTWYABPQX-CQSZACIVSA-N 1 2 333.432 2.093 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001119835624 1309223849 /nfs/dbraw/zinc/22/38/49/1309223849.db2.gz SPLCKDOKFULUQW-AWEZNQCLSA-N 1 2 349.406 2.022 20 30 EEEDLO Cc1cnc(C[NH+]2CC3(CCN3Cc3cc(C#N)n(C)c3)C2)c(C)c1 ZINC001278306986 1309232730 /nfs/dbraw/zinc/23/27/30/1309232730.db2.gz WVBDQZMELSSEMO-UHFFFAOYSA-N 1 2 335.455 2.369 20 30 EEEDLO C[C@H](CN(C)C(=O)c1cccc2[nH+]ccn21)Nc1ncccc1C#N ZINC001120304374 1309439695 /nfs/dbraw/zinc/43/96/95/1309439695.db2.gz NJZPDRJLWRSWJV-CYBMUJFWSA-N 1 2 334.383 2.174 20 30 EEEDLO C[C@H](CN(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)Nc1ccc(C#N)cn1 ZINC001120641984 1309660089 /nfs/dbraw/zinc/66/00/89/1309660089.db2.gz AGFIGASSEOOLGB-TZMCWYRMSA-N 1 2 338.415 2.055 20 30 EEEDLO C#CC[C@@H](CC)c1nnc(N2CC[NH+](Cc3ccccn3)CC2)n1C ZINC001121242238 1309956729 /nfs/dbraw/zinc/95/67/29/1309956729.db2.gz QLDIMDYBYKGBLI-MRXNPFEDSA-N 1 2 338.459 2.049 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)[C@@H]1C ZINC001123096750 1310471160 /nfs/dbraw/zinc/47/11/60/1310471160.db2.gz CSBHWAKMLLZWRM-GOEBONIOSA-N 1 2 343.475 2.222 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H](Nc2ncnc3c2C[N@@H+](C)CC3)[C@@H]1C ZINC001123096750 1310471166 /nfs/dbraw/zinc/47/11/66/1310471166.db2.gz CSBHWAKMLLZWRM-GOEBONIOSA-N 1 2 343.475 2.222 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H](Nc2[nH+]cnc3c2cnn3C)C[C@@H]1C ZINC001123290760 1310516402 /nfs/dbraw/zinc/51/64/02/1310516402.db2.gz RKONVAKJFQIOBP-QWHCGFSZSA-N 1 2 328.420 2.121 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001123523126 1310601037 /nfs/dbraw/zinc/60/10/37/1310601037.db2.gz QNWVVZYHGDMBPY-ZBFHGGJFSA-N 1 2 344.459 2.339 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+](C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000828098444 1314446037 /nfs/dbraw/zinc/44/60/37/1314446037.db2.gz LTRCBUYUSIOZSO-QZTJIDSGSA-N 1 2 348.491 2.306 20 30 EEEDLO COC(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)nc3)CC2)cc1 ZINC001140545816 1314902934 /nfs/dbraw/zinc/90/29/34/1314902934.db2.gz LZFJBGVMZDVWON-UHFFFAOYSA-N 1 2 336.395 2.062 20 30 EEEDLO C#CCOc1ccc(CNC(=O)[C@H](CC)[N@@H+]2CCO[C@@H](CC)C2)cc1 ZINC000836870980 1315034551 /nfs/dbraw/zinc/03/45/51/1315034551.db2.gz CYKAXGFNJUXORI-HKUYNNGSSA-N 1 2 344.455 2.204 20 30 EEEDLO C#CCOc1ccc(CNC(=O)[C@H](CC)[N@H+]2CCO[C@@H](CC)C2)cc1 ZINC000836870980 1315034554 /nfs/dbraw/zinc/03/45/54/1315034554.db2.gz CYKAXGFNJUXORI-HKUYNNGSSA-N 1 2 344.455 2.204 20 30 EEEDLO C#CCCCCC(=O)NC[C@H]1C[N@H+](Cc2nc(C)cs2)CCCO1 ZINC001149557455 1315990080 /nfs/dbraw/zinc/99/00/80/1315990080.db2.gz ALJWSQVPPMZGIT-INIZCTEOSA-N 1 2 349.500 2.352 20 30 EEEDLO C#CCCCCC(=O)NC[C@H]1C[N@@H+](Cc2nc(C)cs2)CCCO1 ZINC001149557455 1315990082 /nfs/dbraw/zinc/99/00/82/1315990082.db2.gz ALJWSQVPPMZGIT-INIZCTEOSA-N 1 2 349.500 2.352 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)COCC2CCCC2)C1 ZINC001149854225 1316068107 /nfs/dbraw/zinc/06/81/07/1316068107.db2.gz JGQFJUSJHHXPIS-INIZCTEOSA-N 1 2 344.883 2.153 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)COCC2CCCC2)C1 ZINC001149854225 1316068108 /nfs/dbraw/zinc/06/81/08/1316068108.db2.gz JGQFJUSJHHXPIS-INIZCTEOSA-N 1 2 344.883 2.153 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccn(CC)n2)CCCO1 ZINC001150077850 1316146887 /nfs/dbraw/zinc/14/68/87/1316146887.db2.gz DIWNQFNOSPNBQT-QGZVFWFLSA-N 1 2 348.491 2.212 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccn(CC)n2)CCCO1 ZINC001150077850 1316146895 /nfs/dbraw/zinc/14/68/95/1316146895.db2.gz DIWNQFNOSPNBQT-QGZVFWFLSA-N 1 2 348.491 2.212 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(F)cn3)CCCO2)C1 ZINC001150298996 1316229824 /nfs/dbraw/zinc/22/98/24/1316229824.db2.gz LNXLQDANBHMXSW-QGZVFWFLSA-N 1 2 347.434 2.284 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(F)cn3)CCCO2)C1 ZINC001150298996 1316229826 /nfs/dbraw/zinc/22/98/26/1316229826.db2.gz LNXLQDANBHMXSW-QGZVFWFLSA-N 1 2 347.434 2.284 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2ccccc2C)C1 ZINC001150693204 1316345985 /nfs/dbraw/zinc/34/59/85/1316345985.db2.gz QSXDYCKVGDPDCV-QGZVFWFLSA-N 1 2 336.863 2.497 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)Cc2ccccc2C)C1 ZINC001150693204 1316345990 /nfs/dbraw/zinc/34/59/90/1316345990.db2.gz QSXDYCKVGDPDCV-QGZVFWFLSA-N 1 2 336.863 2.497 20 30 EEEDLO C=CC[C@@H](Cc1ccccc1)C(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001151907456 1316607276 /nfs/dbraw/zinc/60/72/76/1316607276.db2.gz ZZEYDWACFRSCNN-INIZCTEOSA-N 1 2 342.443 2.273 20 30 EEEDLO CC[N@H+](Cc1nnc(-c2occc2C)o1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152414316 1316668760 /nfs/dbraw/zinc/66/87/60/1316668760.db2.gz ZWCDHXLFCLFLLE-CHWSQXEVSA-N 1 2 345.403 2.124 20 30 EEEDLO CC[N@@H+](Cc1nnc(-c2occc2C)o1)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001152414316 1316668762 /nfs/dbraw/zinc/66/87/62/1316668762.db2.gz ZWCDHXLFCLFLLE-CHWSQXEVSA-N 1 2 345.403 2.124 20 30 EEEDLO C#CCC1(C(=O)NCC[NH2+]Cc2nn(C)cc2Cl)CCCCC1 ZINC001153009759 1316758313 /nfs/dbraw/zinc/75/83/13/1316758313.db2.gz SJEHKXOOUNCJDZ-UHFFFAOYSA-N 1 2 336.867 2.253 20 30 EEEDLO C=CCOC(=O)N1CCC(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001154525738 1317182908 /nfs/dbraw/zinc/18/29/08/1317182908.db2.gz VVGZZOMPEPSZHK-UHFFFAOYSA-N 1 2 342.399 2.099 20 30 EEEDLO C=CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cn(CC2CC2)nn1 ZINC001154957964 1317401221 /nfs/dbraw/zinc/40/12/21/1317401221.db2.gz SUPQLFDWJJQIST-OAHLLOKOSA-N 1 2 333.480 2.371 20 30 EEEDLO C=CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cn(CC2CC2)nn1 ZINC001154957964 1317401226 /nfs/dbraw/zinc/40/12/26/1317401226.db2.gz SUPQLFDWJJQIST-OAHLLOKOSA-N 1 2 333.480 2.371 20 30 EEEDLO CCCCCCCC[C@@H](O)C[N@H+]1Cc2nnn(C)c2[C@@H](COC)C1 ZINC001252126174 1317559627 /nfs/dbraw/zinc/55/96/27/1317559627.db2.gz MITMNJMNZHSFLN-HZPDHXFCSA-N 1 2 338.496 2.472 20 30 EEEDLO CCCCCCCC[C@@H](O)C[N@@H+]1Cc2nnn(C)c2[C@@H](COC)C1 ZINC001252126174 1317559631 /nfs/dbraw/zinc/55/96/31/1317559631.db2.gz MITMNJMNZHSFLN-HZPDHXFCSA-N 1 2 338.496 2.472 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001157217072 1318494808 /nfs/dbraw/zinc/49/48/08/1318494808.db2.gz GVDMHGQFPVTGDD-CABCVRRESA-N 1 2 349.475 2.471 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001157217072 1318494826 /nfs/dbraw/zinc/49/48/26/1318494826.db2.gz GVDMHGQFPVTGDD-CABCVRRESA-N 1 2 349.475 2.471 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1csnc1OC ZINC001157217294 1318495663 /nfs/dbraw/zinc/49/56/63/1318495663.db2.gz MQLPYERXQJDGHM-OLZOCXBDSA-N 1 2 341.477 2.069 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1csnc1OC ZINC001157217294 1318495666 /nfs/dbraw/zinc/49/56/66/1318495666.db2.gz MQLPYERXQJDGHM-OLZOCXBDSA-N 1 2 341.477 2.069 20 30 EEEDLO C#CCN(CC#C)c1nc2c(cc(C(=O)N(C)C)n2C2CCCC2)c[nH+]1 ZINC001157560965 1318715425 /nfs/dbraw/zinc/71/54/25/1318715425.db2.gz MDXGEOBCOXZOLD-UHFFFAOYSA-N 1 2 349.438 2.321 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](O)C(C)C ZINC001157898312 1318922005 /nfs/dbraw/zinc/92/20/05/1318922005.db2.gz UYRDQVQKKOPWPM-ZIAGYGMSSA-N 1 2 347.297 2.225 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](O)C(C)C ZINC001157898312 1318922007 /nfs/dbraw/zinc/92/20/07/1318922007.db2.gz UYRDQVQKKOPWPM-ZIAGYGMSSA-N 1 2 347.297 2.225 20 30 EEEDLO C#CCOCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1ncc(C)o1 ZINC001157957704 1318946553 /nfs/dbraw/zinc/94/65/53/1318946553.db2.gz GGGKXWUZMCQVSJ-IAGOWNOFSA-N 1 2 347.459 2.397 20 30 EEEDLO C#CCOCCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1ncc(C)o1 ZINC001157957704 1318946555 /nfs/dbraw/zinc/94/65/55/1318946555.db2.gz GGGKXWUZMCQVSJ-IAGOWNOFSA-N 1 2 347.459 2.397 20 30 EEEDLO CCOC(=O)[C@@H]1C[C@@H]([N@H+](C)CCC#N)CCN1C(=O)OC(C)(C)C 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C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)CC)C2)c1 ZINC001206075783 1323387016 /nfs/dbraw/zinc/38/70/16/1323387016.db2.gz DABLUFXBVFDDCH-IIDMSEBBSA-N 1 2 341.455 2.089 20 30 EEEDLO CN(C)C(=O)c1[nH]nc2c1C[N@H+](Cc1c[nH]c3ccc(C#N)cc13)CC2 ZINC001280314309 1324153095 /nfs/dbraw/zinc/15/30/95/1324153095.db2.gz LOAVJCVQZOWMEX-UHFFFAOYSA-N 1 2 348.410 2.023 20 30 EEEDLO CN(C)C(=O)c1[nH]nc2c1C[N@@H+](Cc1c[nH]c3ccc(C#N)cc13)CC2 ZINC001280314309 1324153107 /nfs/dbraw/zinc/15/31/07/1324153107.db2.gz LOAVJCVQZOWMEX-UHFFFAOYSA-N 1 2 348.410 2.023 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC001208013835 1324264919 /nfs/dbraw/zinc/26/49/19/1324264919.db2.gz KCOAJZFSPPENTE-CQSZACIVSA-N 1 2 346.475 2.497 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nc(COC)no2)C1 ZINC001208255637 1324381243 /nfs/dbraw/zinc/38/12/43/1324381243.db2.gz NPQBWCSIUGTNNZ-ZIAGYGMSSA-N 1 2 336.436 2.214 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2noc3c2COCC3)C[C@H]1C 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LGXRTFXCMLEWFG-QGZVFWFLSA-N 1 2 331.460 2.460 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C)CCC)C1 ZINC001317934465 1332446229 /nfs/dbraw/zinc/44/62/29/1332446229.db2.gz YXNXGVWLEZVQIG-HZPDHXFCSA-N 1 2 337.508 2.474 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)CCC)C1 ZINC001317934465 1332446231 /nfs/dbraw/zinc/44/62/31/1332446231.db2.gz YXNXGVWLEZVQIG-HZPDHXFCSA-N 1 2 337.508 2.474 20 30 EEEDLO C=CC[C@@H]([NH2+]C1CCN(C(=O)OCC(C)C)CC1)C(=O)OCC ZINC001321966308 1333187820 /nfs/dbraw/zinc/18/78/20/1333187820.db2.gz IBQTVXTZSBPTBH-OAHLLOKOSA-N 1 2 326.437 2.341 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CC[N@@H+](CC(=C)Cl)C[C@@H]2O)CCCCC1 ZINC001100137451 1338058248 /nfs/dbraw/zinc/05/82/48/1338058248.db2.gz ZZQBIMFRIIRRHJ-CVEARBPZSA-N 1 2 338.879 2.264 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CC[N@H+](CC(=C)Cl)C[C@@H]2O)CCCCC1 ZINC001100137451 1338058251 /nfs/dbraw/zinc/05/82/51/1338058251.db2.gz ZZQBIMFRIIRRHJ-CVEARBPZSA-N 1 2 338.879 2.264 20 30 EEEDLO C=CCCC(=O)NCC1CC([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC001100177192 1338114209 /nfs/dbraw/zinc/11/42/09/1338114209.db2.gz YLRGSIYFZGMRNZ-UHFFFAOYSA-N 1 2 339.443 2.218 20 30 EEEDLO C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001434856350 1341969826 /nfs/dbraw/zinc/96/98/26/1341969826.db2.gz FMWUYHWRVCVQMS-QAPCUYQASA-N 1 2 344.459 2.239 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001388679802 1387638564 /nfs/dbraw/zinc/63/85/64/1387638564.db2.gz KVTLEQLUEUPKHM-DDTOSNHZSA-N 1 2 343.324 2.443 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001388679802 1387638571 /nfs/dbraw/zinc/63/85/71/1387638571.db2.gz KVTLEQLUEUPKHM-DDTOSNHZSA-N 1 2 343.324 2.443 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@@H]([NH2+]Cc2noc(CC)n2)C12CCC2 ZINC001203275297 1368193513 /nfs/dbraw/zinc/19/35/13/1368193513.db2.gz SCSQURUYPGYBOX-CHWSQXEVSA-N 1 2 332.448 2.361 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nnc(C)s3)C[C@H]21 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CC1(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]2O)CC1 ZINC001100058839 1410582854 /nfs/dbraw/zinc/58/28/54/1410582854.db2.gz ABXVLLQDSGFNAK-QZTJIDSGSA-N 1 2 341.455 2.190 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001104164567 1410799092 /nfs/dbraw/zinc/79/90/92/1410799092.db2.gz XNUYRUHGOQBXGO-TZMCWYRMSA-N 1 2 334.468 2.013 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nccn1C)C2 ZINC001111848599 1410851867 /nfs/dbraw/zinc/85/18/67/1410851867.db2.gz MFRFZJDTFDRTCJ-BXWFABGCSA-N 1 2 330.476 2.493 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nccn1C)C2 ZINC001111848599 1410851877 /nfs/dbraw/zinc/85/18/77/1410851877.db2.gz MFRFZJDTFDRTCJ-BXWFABGCSA-N 1 2 330.476 2.493 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(Nc2cc[nH+]c(C)n2)CCC1 ZINC001111919691 1410866420 /nfs/dbraw/zinc/86/64/20/1410866420.db2.gz ZBVUVZSQARXNBI-CABCVRRESA-N 1 2 330.432 2.217 20 30 EEEDLO C=CCOCC(=O)NC[C@H]1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001091317882 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EEEDLO CC(C)[C@@H](C)NC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782948633 764649381 /nfs/dbraw/zinc/64/93/81/764649381.db2.gz NBHJUZFNGRXFSO-SNVBAGLBSA-N 1 2 342.237 2.247 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(C)[C@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001104769879 765253424 /nfs/dbraw/zinc/25/34/24/765253424.db2.gz GXUUNTTUVCUESC-QWHCGFSZSA-N 1 2 334.468 2.107 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N(C)[C@@H](C)CNc2ccc(C#N)nc2)c[nH+]1 ZINC001104864377 765454684 /nfs/dbraw/zinc/45/46/84/765454684.db2.gz HEFKPLMYFJKZJO-AWEZNQCLSA-N 1 2 340.431 2.152 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)[C@H](C)CNc2nccnc2C#N)c(C)[nH+]1 ZINC001104883434 765501329 /nfs/dbraw/zinc/50/13/29/765501329.db2.gz JTPYYGDUWBSHRQ-CYBMUJFWSA-N 1 2 338.415 2.241 20 30 EEEDLO Cc1nsc(NC[C@H](CC(C)C)NC(=O)Cc2[nH]cc[nH+]2)c1C#N ZINC001104955907 765660225 /nfs/dbraw/zinc/66/02/25/765660225.db2.gz AOCDEPZDOBKVKZ-LBPRGKRZSA-N 1 2 346.460 2.232 20 30 EEEDLO CC(C)C[C@H](CNc1ncc(C#N)cc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001104956849 765667040 /nfs/dbraw/zinc/66/70/40/765667040.db2.gz MLACWYWGHKDOGZ-CYBMUJFWSA-N 1 2 344.394 2.001 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)[C@@H](C)C1 ZINC001105051834 768959845 /nfs/dbraw/zinc/95/98/45/768959845.db2.gz HEOHWPFMBADCLR-ZFWWWQNUSA-N 1 2 346.479 2.251 20 30 EEEDLO Cc1nsc(N[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C(C)C)c1C#N ZINC001105298805 769626627 /nfs/dbraw/zinc/62/66/27/769626627.db2.gz SEARWWINEBTGOL-AWEZNQCLSA-N 1 2 346.460 2.232 20 30 EEEDLO Cc1nsc(N[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C(C)C)c1C#N ZINC001105298805 769626631 /nfs/dbraw/zinc/62/66/31/769626631.db2.gz SEARWWINEBTGOL-AWEZNQCLSA-N 1 2 346.460 2.232 20 30 EEEDLO C[C@H](C[C@H](C)Nc1cccc(F)c1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001089490132 769807373 /nfs/dbraw/zinc/80/73/73/769807373.db2.gz NGSLQNCSXJQUPD-NWDGAFQWSA-N 1 2 329.379 2.358 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H](CNc1nc(N(C)C)nc(C)[nH+]1)C(C)(C)C ZINC001126045377 769906971 /nfs/dbraw/zinc/90/69/71/769906971.db2.gz YEVFKKGFLUPTIP-CYBMUJFWSA-N 1 2 348.495 2.401 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](C)C[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)n1 ZINC001089499300 769914156 /nfs/dbraw/zinc/91/41/56/769914156.db2.gz LSMSKXAFHQCTCV-UONOGXRCSA-N 1 2 340.431 2.313 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](C)C[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)n1 ZINC001089499300 769914164 /nfs/dbraw/zinc/91/41/64/769914164.db2.gz LSMSKXAFHQCTCV-UONOGXRCSA-N 1 2 340.431 2.313 20 30 EEEDLO CC(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC001149175196 769926814 /nfs/dbraw/zinc/92/68/14/769926814.db2.gz OHTMZKFBWUTRJC-MRXNPFEDSA-N 1 2 333.407 2.060 20 30 EEEDLO CC(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC001149175196 769926825 /nfs/dbraw/zinc/92/68/25/769926825.db2.gz OHTMZKFBWUTRJC-MRXNPFEDSA-N 1 2 333.407 2.060 20 30 EEEDLO Cc1nc(C)c(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)o1 ZINC001031594715 769972935 /nfs/dbraw/zinc/97/29/35/769972935.db2.gz JFZSQJQDBHOKQP-UHFFFAOYSA-N 1 2 342.374 2.164 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)c2ncc(C)o2)C1 ZINC001032040741 782938863 /nfs/dbraw/zinc/93/88/63/782938863.db2.gz SZPBVCPVPOYIDH-PVAVHDDUSA-N 1 2 347.459 2.463 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001032042244 783007686 /nfs/dbraw/zinc/00/76/86/783007686.db2.gz VYHNVAWNEBEFEZ-RBUKOAKNSA-N 1 2 326.415 2.271 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)o1 ZINC001027835539 773274979 /nfs/dbraw/zinc/27/49/79/773274979.db2.gz DYMVSUIDLUANRS-SWLSCSKDSA-N 1 2 327.388 2.138 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+]2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)o1 ZINC001027835539 773274985 /nfs/dbraw/zinc/27/49/85/773274985.db2.gz DYMVSUIDLUANRS-SWLSCSKDSA-N 1 2 327.388 2.138 20 30 EEEDLO CC[C@@H]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)O1 ZINC001031708675 773524970 /nfs/dbraw/zinc/52/49/70/773524970.db2.gz QGBXZAUDJYZZBY-SJLPKXTDSA-N 1 2 345.418 2.203 20 30 EEEDLO CC1(C)CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)[N@H+](Cc2ccon2)C1 ZINC001089627337 773573758 /nfs/dbraw/zinc/57/37/58/773573758.db2.gz XGKDTPYCLUJFMM-HNNXBMFYSA-N 1 2 341.415 2.295 20 30 EEEDLO CC1(C)CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)[N@@H+](Cc2ccon2)C1 ZINC001089627337 773573761 /nfs/dbraw/zinc/57/37/61/773573761.db2.gz XGKDTPYCLUJFMM-HNNXBMFYSA-N 1 2 341.415 2.295 20 30 EEEDLO Cc1[nH]nc(Cl)c1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031720849 773633022 /nfs/dbraw/zinc/63/30/22/773633022.db2.gz IVORVSBSQHPHQY-UHFFFAOYSA-N 1 2 349.847 2.167 20 30 EEEDLO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]nc(CC)c1Cl ZINC001089651871 773837262 /nfs/dbraw/zinc/83/72/62/773837262.db2.gz PUOMEKJMCZQQFH-LBPRGKRZSA-N 1 2 336.867 2.479 20 30 EEEDLO Cc1cc(N2CC=C(CNC(=O)[C@H](C)C#N)CC2)nc(C2CC2)[nH+]1 ZINC001127582861 774476417 /nfs/dbraw/zinc/47/64/17/774476417.db2.gz SZVCUUAVPKGOKI-GFCCVEGCSA-N 1 2 325.416 2.075 20 30 EEEDLO CCN(c1ccc(C#N)cn1)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001089757623 774912072 /nfs/dbraw/zinc/91/20/72/774912072.db2.gz KMXKZAOIYZXRDW-LSDHHAIUSA-N 1 2 340.431 2.132 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C(C)C)no3)C2)C1 ZINC000939103390 775470813 /nfs/dbraw/zinc/47/08/13/775470813.db2.gz RJIFJHXKOUBMCH-ZIAGYGMSSA-N 1 2 332.448 2.486 20 30 EEEDLO N#Cc1ccccc1OCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000069390439 776113917 /nfs/dbraw/zinc/11/39/17/776113917.db2.gz RPBQRDNEXYKICY-UHFFFAOYSA-N 1 2 332.363 2.439 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1OC ZINC001212337264 776137758 /nfs/dbraw/zinc/13/77/58/776137758.db2.gz FTOQYNHFYBGAJX-CHWSQXEVSA-N 1 2 343.880 2.237 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1OC ZINC001212337264 776137768 /nfs/dbraw/zinc/13/77/68/776137768.db2.gz FTOQYNHFYBGAJX-CHWSQXEVSA-N 1 2 343.880 2.237 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C(F)(F)F)ncn1 ZINC001028020313 776211483 /nfs/dbraw/zinc/21/14/83/776211483.db2.gz QVBNECBWKVBOKP-SNVBAGLBSA-N 1 2 348.756 2.442 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C(F)(F)F)ncn1 ZINC001028020313 776211489 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N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc3n(n2)CCC3)CC1 ZINC000981289132 777084365 /nfs/dbraw/zinc/08/43/65/777084365.db2.gz ZVUIDFYYZQZSNM-UHFFFAOYSA-N 1 2 349.438 2.049 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ncc2ccccn21 ZINC001031845007 777259695 /nfs/dbraw/zinc/25/96/95/777259695.db2.gz FMNJFCWMKVIJSQ-UHFFFAOYSA-N 1 2 344.418 2.048 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091397770 790548732 /nfs/dbraw/zinc/54/87/32/790548732.db2.gz RVMPNEYOLMLMQM-FHSNZYRGSA-N 1 2 342.447 2.272 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CCCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC000981669670 777947966 /nfs/dbraw/zinc/94/79/66/777947966.db2.gz SYKKEAHPHJCXKY-HNNXBMFYSA-N 1 2 329.448 2.048 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2CCCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC000981669670 777947973 /nfs/dbraw/zinc/94/79/73/777947973.db2.gz SYKKEAHPHJCXKY-HNNXBMFYSA-N 1 2 329.448 2.048 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)CC1 ZINC000981720585 778090366 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N#Cc1ccccc1C[N@H+]1CCCN(C(=O)c2csc(=O)[nH]2)CC1 ZINC000981794864 778217621 /nfs/dbraw/zinc/21/76/21/778217621.db2.gz UCKQQDQVSLAMLU-UHFFFAOYSA-N 1 2 342.424 2.068 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2csc(=O)[nH]2)CC1 ZINC000981794864 778217622 /nfs/dbraw/zinc/21/76/22/778217622.db2.gz UCKQQDQVSLAMLU-UHFFFAOYSA-N 1 2 342.424 2.068 20 30 EEEDLO CCc1ncoc1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981922857 778538865 /nfs/dbraw/zinc/53/88/65/778538865.db2.gz ARWQHLYANNUDHZ-UHFFFAOYSA-N 1 2 337.423 2.437 20 30 EEEDLO CCc1ncoc1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981922857 778538870 /nfs/dbraw/zinc/53/88/70/778538870.db2.gz ARWQHLYANNUDHZ-UHFFFAOYSA-N 1 2 337.423 2.437 20 30 EEEDLO C#CCCCC(=O)NCC[NH2+]Cc1c(F)c(F)c(F)c(F)c1F ZINC001126339249 779554977 /nfs/dbraw/zinc/55/49/77/779554977.db2.gz UDEAWAWEHGQODY-UHFFFAOYSA-N 1 2 334.288 2.391 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@H](F)C3)C2)cc1F ZINC001031929991 780019257 /nfs/dbraw/zinc/01/92/57/780019257.db2.gz 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C#CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)C(F)F)C1 ZINC001087470080 781319301 /nfs/dbraw/zinc/31/93/01/781319301.db2.gz LJPWIWYCORJPLN-HOTGVXAUSA-N 1 2 336.382 2.258 20 30 EEEDLO C=CCCCC(=O)NCCN(CCOC)c1nc(C)[nH+]c(C)c1C ZINC001126487610 781396328 /nfs/dbraw/zinc/39/63/28/781396328.db2.gz IOHAKZFOURGWTL-UHFFFAOYSA-N 1 2 334.464 2.327 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)c2c(C)n[nH]c2C(F)(F)F)C1 ZINC001033272218 783304003 /nfs/dbraw/zinc/30/40/03/783304003.db2.gz ZXYZTIOFIQJBQA-NSHDSACASA-N 1 2 330.354 2.459 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2c(C)n[nH]c2C(F)(F)F)C1 ZINC001033272218 783304012 /nfs/dbraw/zinc/30/40/12/783304012.db2.gz ZXYZTIOFIQJBQA-NSHDSACASA-N 1 2 330.354 2.459 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cn2nc(C)c3cccnc32)C1 ZINC001033285063 783373463 /nfs/dbraw/zinc/37/34/63/783373463.db2.gz HBAKZWXFCYXPMM-AWEZNQCLSA-N 1 2 347.850 2.025 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2nc(C)c3cccnc32)C1 ZINC001033285063 783373477 /nfs/dbraw/zinc/37/34/77/783373477.db2.gz HBAKZWXFCYXPMM-AWEZNQCLSA-N 1 2 347.850 2.025 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N3CCCCC[C@@H](NCC#N)C3)ccn12 ZINC001088315198 783483725 /nfs/dbraw/zinc/48/37/25/783483725.db2.gz QTKQAYVCTUGQRV-MRXNPFEDSA-N 1 2 325.416 2.141 20 30 EEEDLO C[C@@H](C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1)NC(=O)c1[nH]ncc1F ZINC001135407588 783718740 /nfs/dbraw/zinc/71/87/40/783718740.db2.gz KUNIUEHGJCJPKH-STQMWFEESA-N 1 2 346.381 2.226 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(F)(F)C(F)F)c1 ZINC001135437387 783767253 /nfs/dbraw/zinc/76/72/53/783767253.db2.gz CVCSDXYWGXURDM-QWRGUYRKSA-N 1 2 345.340 2.450 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)c2cnco2)CC1 ZINC001005791032 783779241 /nfs/dbraw/zinc/77/92/41/783779241.db2.gz DVBAHIIPRYGSPC-UHFFFAOYSA-N 1 2 328.210 2.120 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2coc(C(F)F)c2)[C@@H](O)C1 ZINC001090523423 783987044 /nfs/dbraw/zinc/98/70/44/783987044.db2.gz QMUNWNMJOPFKBD-QWRGUYRKSA-N 1 2 334.750 2.135 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2coc(C(F)F)c2)[C@@H](O)C1 ZINC001090523423 783987051 /nfs/dbraw/zinc/98/70/51/783987051.db2.gz QMUNWNMJOPFKBD-QWRGUYRKSA-N 1 2 334.750 2.135 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2coc3cc(F)ccc32)C1 ZINC001035423771 784467629 /nfs/dbraw/zinc/46/76/29/784467629.db2.gz LWZGZHNEMKAQET-AWEZNQCLSA-N 1 2 330.359 2.026 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2coc3cc(F)ccc32)C1 ZINC001035423771 784467638 /nfs/dbraw/zinc/46/76/38/784467638.db2.gz LWZGZHNEMKAQET-AWEZNQCLSA-N 1 2 330.359 2.026 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001035465036 784587205 /nfs/dbraw/zinc/58/72/05/784587205.db2.gz DGSPTOZQDRRAFQ-INIZCTEOSA-N 1 2 327.428 2.483 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001035465036 784587208 /nfs/dbraw/zinc/58/72/08/784587208.db2.gz DGSPTOZQDRRAFQ-INIZCTEOSA-N 1 2 327.428 2.483 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001035518126 784637539 /nfs/dbraw/zinc/63/75/39/784637539.db2.gz KLWBBGKDZLRNLL-INIZCTEOSA-N 1 2 329.444 2.274 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001035518126 784637543 /nfs/dbraw/zinc/63/75/43/784637543.db2.gz KLWBBGKDZLRNLL-INIZCTEOSA-N 1 2 329.444 2.274 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(OCC(C)C)cc2)C1 ZINC001035603243 784765143 /nfs/dbraw/zinc/76/51/43/784765143.db2.gz PMSJHJSBUKJENW-SFHVURJKSA-N 1 2 332.444 2.338 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(OCC(C)C)cc2)C1 ZINC001035603243 784765155 /nfs/dbraw/zinc/76/51/55/784765155.db2.gz PMSJHJSBUKJENW-SFHVURJKSA-N 1 2 332.444 2.338 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(C(C)(C)C)c2CC)C1 ZINC001035609581 784846577 /nfs/dbraw/zinc/84/65/77/784846577.db2.gz LXSDOYAQADODGS-HNNXBMFYSA-N 1 2 348.491 2.207 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnn(C(C)(C)C)c2CC)C1 ZINC001035609581 784846584 /nfs/dbraw/zinc/84/65/84/784846584.db2.gz LXSDOYAQADODGS-HNNXBMFYSA-N 1 2 348.491 2.207 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C3CCCC3)no2)C1 ZINC001035611762 784850414 /nfs/dbraw/zinc/85/04/14/784850414.db2.gz YPRHKDGAPQKVCX-HNNXBMFYSA-N 1 2 333.432 2.339 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(C3CCCC3)no2)C1 ZINC001035611762 784850418 /nfs/dbraw/zinc/85/04/18/784850418.db2.gz YPRHKDGAPQKVCX-HNNXBMFYSA-N 1 2 333.432 2.339 20 30 EEEDLO Cc1cnc(C[NH+]2CC3(C2)CCN(C(=O)C#CC2CC2)CC3)s1 ZINC001035701816 784981184 /nfs/dbraw/zinc/98/11/84/784981184.db2.gz BLMBUQKKPXWHQB-UHFFFAOYSA-N 1 2 329.469 2.289 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Br)oc2C)CC1 ZINC000819209375 785471673 /nfs/dbraw/zinc/47/16/73/785471673.db2.gz WXTXBQURHGBFPP-UHFFFAOYSA-N 1 2 325.206 2.132 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2n2ccnn2)CC1 ZINC001129238625 786098061 /nfs/dbraw/zinc/09/80/61/786098061.db2.gz DXWBTDIVVOHBPZ-JGNQBTRVSA-N 1 2 349.866 2.119 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2n2ccnn2)CC1 ZINC001129238625 786098069 /nfs/dbraw/zinc/09/80/69/786098069.db2.gz DXWBTDIVVOHBPZ-JGNQBTRVSA-N 1 2 349.866 2.119 20 30 EEEDLO Cc1conc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001015955103 786372058 /nfs/dbraw/zinc/37/20/58/786372058.db2.gz ASIDHYGPFFJESL-MRXNPFEDSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1conc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001015955103 786372065 /nfs/dbraw/zinc/37/20/65/786372065.db2.gz ASIDHYGPFFJESL-MRXNPFEDSA-N 1 2 343.814 2.492 20 30 EEEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CC3CCCCCC3)nn2)C1 ZINC001107215817 786455719 /nfs/dbraw/zinc/45/57/19/786455719.db2.gz NRKGGRQIBGXZCX-UHFFFAOYSA-N 1 2 343.475 2.135 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cc(C)cc(C)c2)[C@@H](O)C1 ZINC001090543862 786828650 /nfs/dbraw/zinc/82/86/50/786828650.db2.gz OZNNDDBJKAEEEZ-IRXDYDNUSA-N 1 2 336.863 2.150 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cc(C)cc(C)c2)[C@@H](O)C1 ZINC001090543862 786828662 /nfs/dbraw/zinc/82/86/62/786828662.db2.gz OZNNDDBJKAEEEZ-IRXDYDNUSA-N 1 2 336.863 2.150 20 30 EEEDLO 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C=CCCCC(=O)N1CC[C@@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001060264870 789226741 /nfs/dbraw/zinc/22/67/41/789226741.db2.gz BQEXCGKUEYQDGF-OAHLLOKOSA-N 1 2 332.448 2.053 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001060264870 789226744 /nfs/dbraw/zinc/22/67/44/789226744.db2.gz BQEXCGKUEYQDGF-OAHLLOKOSA-N 1 2 332.448 2.053 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@H](C)C(F)(F)F)CC2)C1 ZINC001105721437 789248486 /nfs/dbraw/zinc/24/84/86/789248486.db2.gz BCNFRMNOAKSXQQ-LBPRGKRZSA-N 1 2 334.382 2.453 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CC34CCC4)CC2)C1 ZINC001105726090 789264076 /nfs/dbraw/zinc/26/40/76/789264076.db2.gz DVKGENNVJANJAY-SFHVURJKSA-N 1 2 348.487 2.071 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C)(C)C ZINC001109769515 805954189 /nfs/dbraw/zinc/95/41/89/805954189.db2.gz GYVNNIQWPQAEEY-ILXRZTDVSA-N 1 2 335.492 2.225 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C)(C)C ZINC001109769515 805954197 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EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCC(=O)c2ccc(F)cc2F)C1 ZINC000923586447 789829576 /nfs/dbraw/zinc/82/95/76/789829576.db2.gz QUKREWXNOPZUEI-CQSZACIVSA-N 1 2 334.366 2.142 20 30 EEEDLO C#Cc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)cc1 ZINC001144578561 789942398 /nfs/dbraw/zinc/94/23/98/789942398.db2.gz HKYKQORTIVGGOI-SFHVURJKSA-N 1 2 344.455 2.472 20 30 EEEDLO C#Cc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)cc1 ZINC001144578561 789942402 /nfs/dbraw/zinc/94/24/02/789942402.db2.gz HKYKQORTIVGGOI-SFHVURJKSA-N 1 2 344.455 2.472 20 30 EEEDLO CCOC(=O)CC[N@H+](CC(=O)OCC)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171220963 790128078 /nfs/dbraw/zinc/12/80/78/790128078.db2.gz GGTISGKSWSQRCO-HNNXBMFYSA-N 1 2 346.427 2.308 20 30 EEEDLO CCOC(=O)CC[N@@H+](CC(=O)OCC)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171220963 790128081 /nfs/dbraw/zinc/12/80/81/790128081.db2.gz GGTISGKSWSQRCO-HNNXBMFYSA-N 1 2 346.427 2.308 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060864515 790163481 /nfs/dbraw/zinc/16/34/81/790163481.db2.gz SHZINNVXYSJQHA-BZUAXINKSA-N 1 2 346.475 2.346 20 30 EEEDLO CCc1oncc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088893334 791416925 /nfs/dbraw/zinc/41/69/25/791416925.db2.gz VBWPQLGCIDYLJG-QAPCUYQASA-N 1 2 337.423 2.481 20 30 EEEDLO CCc1oncc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088893334 791416927 /nfs/dbraw/zinc/41/69/27/791416927.db2.gz VBWPQLGCIDYLJG-QAPCUYQASA-N 1 2 337.423 2.481 20 30 EEEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1Nc1cccc(F)c1C#N ZINC001063754337 791665647 /nfs/dbraw/zinc/66/56/47/791665647.db2.gz SBXYZSYNKJEHAZ-CZUORRHYSA-N 1 2 341.390 2.243 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088955118 791726202 /nfs/dbraw/zinc/72/62/02/791726202.db2.gz RMCBEPJMQURCMJ-WBMJQRKESA-N 1 2 342.374 2.387 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088955118 791726205 /nfs/dbraw/zinc/72/62/05/791726205.db2.gz RMCBEPJMQURCMJ-WBMJQRKESA-N 1 2 342.374 2.387 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001106080343 791819662 /nfs/dbraw/zinc/81/96/62/791819662.db2.gz KRLGACDTVMSFDR-AUUYWEPGSA-N 1 2 346.475 2.155 20 30 EEEDLO C#CCCCC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nc(C3CC3)no1)C2 ZINC001147462174 791830113 /nfs/dbraw/zinc/83/01/13/791830113.db2.gz RWDIJOFHNQXIGY-CQSZACIVSA-N 1 2 342.443 2.346 20 30 EEEDLO C#CCCCC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nc(C3CC3)no1)C2 ZINC001147462174 791830121 /nfs/dbraw/zinc/83/01/21/791830121.db2.gz RWDIJOFHNQXIGY-CQSZACIVSA-N 1 2 342.443 2.346 20 30 EEEDLO Cc1nc(N[C@H](C)[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)cc[nH+]1 ZINC001063875240 791867591 /nfs/dbraw/zinc/86/75/91/791867591.db2.gz AVCYUEXFHFOGSH-TZMCWYRMSA-N 1 2 338.415 2.338 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)[C@H]1C ZINC001089064191 792045559 /nfs/dbraw/zinc/04/55/59/792045559.db2.gz NLMMFHYKGGOAML-OCCSQVGLSA-N 1 2 345.834 2.417 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)[C@H]1C ZINC001089064191 792045572 /nfs/dbraw/zinc/04/55/72/792045572.db2.gz NLMMFHYKGGOAML-OCCSQVGLSA-N 1 2 345.834 2.417 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nc(C(C)C)no1)C2 ZINC001148110797 792158749 /nfs/dbraw/zinc/15/87/49/792158749.db2.gz GDFZEJWDGVZHRV-UHFFFAOYSA-N 1 2 344.459 2.421 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nc(C(C)C)no1)C2 ZINC001148110797 792158759 /nfs/dbraw/zinc/15/87/59/792158759.db2.gz GDFZEJWDGVZHRV-UHFFFAOYSA-N 1 2 344.459 2.421 20 30 EEEDLO C=CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nnc3n1CCCC3)C2 ZINC001148194010 792210226 /nfs/dbraw/zinc/21/02/26/792210226.db2.gz PGIKBEGSJGCTKA-UHFFFAOYSA-N 1 2 343.475 2.005 20 30 EEEDLO C=CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nnc3n1CCCC3)C2 ZINC001148194010 792210235 /nfs/dbraw/zinc/21/02/35/792210235.db2.gz PGIKBEGSJGCTKA-UHFFFAOYSA-N 1 2 343.475 2.005 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCCC[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001064177673 792610494 /nfs/dbraw/zinc/61/04/94/792610494.db2.gz SWCBTKCSCVZIOA-CJNGLKHVSA-N 1 2 338.415 2.006 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)N(c2[nH+]cnc3c2cnn3C)C1 ZINC001089150814 792805000 /nfs/dbraw/zinc/80/50/00/792805000.db2.gz VCXQNYWRENBSFZ-KGLIPLIRSA-N 1 2 342.447 2.193 20 30 EEEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](Cc2nnc(C)[nH]2)CC3)CC1 ZINC000992157290 792950557 /nfs/dbraw/zinc/95/05/57/792950557.db2.gz ZQKWRLBGJFIKRA-APWZRJJASA-N 1 2 343.475 2.473 20 30 EEEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](Cc2nnc(C)[nH]2)CC3)CC1 ZINC000992157290 792950561 /nfs/dbraw/zinc/95/05/61/792950561.db2.gz ZQKWRLBGJFIKRA-APWZRJJASA-N 1 2 343.475 2.473 20 30 EEEDLO C[C@H]1CN(O)C(=O)[C@H]1Nc1cc(NC(=O)Nc2ccccc2)cc[nH+]1 ZINC001171363667 793173372 /nfs/dbraw/zinc/17/33/72/793173372.db2.gz LEFWLSAIXWMBGD-NHYWBVRUSA-N 1 2 341.371 2.374 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(C)no3)C[C@@]2(C)C1 ZINC001091911059 793396704 /nfs/dbraw/zinc/39/67/04/793396704.db2.gz NZPAILQJEMWSBK-KDOFPFPSSA-N 1 2 332.448 2.261 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(C)no3)C[C@@]2(C)C1 ZINC001091911059 793396713 /nfs/dbraw/zinc/39/67/13/793396713.db2.gz NZPAILQJEMWSBK-KDOFPFPSSA-N 1 2 332.448 2.261 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2sc(C)cc2C)[C@@H](O)C1 ZINC001090298725 793605083 /nfs/dbraw/zinc/60/50/83/793605083.db2.gz RSGWGVWDGLUTTQ-OLZOCXBDSA-N 1 2 328.865 2.282 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2sc(C)cc2C)[C@@H](O)C1 ZINC001090298725 793605088 /nfs/dbraw/zinc/60/50/88/793605088.db2.gz RSGWGVWDGLUTTQ-OLZOCXBDSA-N 1 2 328.865 2.282 20 30 EEEDLO C[C@@H]1C[C@@H](Nc2ccc(C#N)nc2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001064773070 793736491 /nfs/dbraw/zinc/73/64/91/793736491.db2.gz RSUSRTOLGYDHSH-KGLIPLIRSA-N 1 2 338.415 2.101 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3cc(C)cn3c2)[C@H](O)C1 ZINC001090317168 793805163 /nfs/dbraw/zinc/80/51/63/793805163.db2.gz WUELLFVAZRDIRQ-DLBZAZTESA-N 1 2 347.846 2.165 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3cc(C)cn3c2)[C@H](O)C1 ZINC001090317168 793805174 /nfs/dbraw/zinc/80/51/74/793805174.db2.gz WUELLFVAZRDIRQ-DLBZAZTESA-N 1 2 347.846 2.165 20 30 EEEDLO N#CCN1CC[C@]2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@H]12 ZINC000992361952 793810315 /nfs/dbraw/zinc/81/03/15/793810315.db2.gz HYENXMBZHBIKHS-PKOBYXMFSA-N 1 2 335.411 2.123 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1C=CCCC1)c1nccn12 ZINC001092378588 793872849 /nfs/dbraw/zinc/87/28/49/793872849.db2.gz OWDXRBXJOHJXNY-HZPDHXFCSA-N 1 2 326.444 2.387 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1C=CCCC1)c1nccn12 ZINC001092379238 793873194 /nfs/dbraw/zinc/87/31/94/793873194.db2.gz VBQYJVUWZCZORF-SJORKVTESA-N 1 2 338.455 2.225 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccc(C)cc1)c1nccn12 ZINC001092379801 793873327 /nfs/dbraw/zinc/87/33/27/793873327.db2.gz JQYKSGOQEUTHJQ-QGZVFWFLSA-N 1 2 336.439 2.192 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)cs1)c1nccn12 ZINC001092368211 793911775 /nfs/dbraw/zinc/91/17/75/793911775.db2.gz HMKHFMMCLKSYLL-CQSZACIVSA-N 1 2 340.452 2.162 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)ccc1C)c1nccn12 ZINC001092409504 793957446 /nfs/dbraw/zinc/95/74/46/793957446.db2.gz SMVJVSWLNNTAHQ-SFHVURJKSA-N 1 2 348.450 2.409 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1nccn12 ZINC001092408960 793958001 /nfs/dbraw/zinc/95/80/01/793958001.db2.gz DQGUAEDGQMNCEN-KSZLIROESA-N 1 2 348.450 2.445 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(CF)cc1)c1nccn12 ZINC001092413070 793963904 /nfs/dbraw/zinc/96/39/04/793963904.db2.gz DBHSNOBDNWYWJP-MRXNPFEDSA-N 1 2 340.402 2.424 20 30 EEEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)CC[C@@H](C)CC)CC2 ZINC001128053722 794096262 /nfs/dbraw/zinc/09/62/62/794096262.db2.gz DWEJYNNRPHRKDG-JKSUJKDBSA-N 1 2 345.491 2.038 20 30 EEEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@](C)(CC)CCC)CC2 ZINC001128058181 794114847 /nfs/dbraw/zinc/11/48/47/794114847.db2.gz BHKUHDIMZDIJQL-DNVCBOLYSA-N 1 2 345.491 2.038 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCN2c2ccccc2)C1 ZINC001107988396 794229785 /nfs/dbraw/zinc/22/97/85/794229785.db2.gz CGSHRAIBYBAVFN-ICSRJNTNSA-N 1 2 343.471 2.049 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCN2c2ccccc2)C1 ZINC001107988396 794229790 /nfs/dbraw/zinc/22/97/90/794229790.db2.gz CGSHRAIBYBAVFN-ICSRJNTNSA-N 1 2 343.471 2.049 20 30 EEEDLO Cc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)C#N)C3)nc(C2CC2)[nH+]1 ZINC001092811236 794372673 /nfs/dbraw/zinc/37/26/73/794372673.db2.gz CRTHZCPRYYYRGP-RABLLNBGSA-N 1 2 325.416 2.048 20 30 EEEDLO Cc1nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)C)C3)c(C)c(C)[nH+]1 ZINC001092964503 794502119 /nfs/dbraw/zinc/50/21/19/794502119.db2.gz IMPSMPOAWNAMHZ-ZACQAIPSSA-N 1 2 326.444 2.287 20 30 EEEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1CN(c1cc[nH+]c(C)n1)C2 ZINC001093083550 794594085 /nfs/dbraw/zinc/59/40/85/794594085.db2.gz SNAWQIVJQGKAFV-LPHOPBHVSA-N 1 2 326.444 2.454 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2nnc(OCC)s2)C1 ZINC000999874808 795069656 /nfs/dbraw/zinc/06/96/56/795069656.db2.gz AQKSBVVKKSFJQN-LBPRGKRZSA-N 1 2 338.477 2.230 20 30 EEEDLO C=CCCC(=O)N1CCC(C)(Nc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001112345255 795212882 /nfs/dbraw/zinc/21/28/82/795212882.db2.gz MNYASRZVCDTOJZ-UHFFFAOYSA-N 1 2 332.452 2.005 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cc4ncccc4o3)CC2)C1 ZINC001093554110 795331355 /nfs/dbraw/zinc/33/13/55/795331355.db2.gz QCKLOUNIPCTFMS-UHFFFAOYSA-N 1 2 341.411 2.319 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cccc(OC)c3C)CC2)C1 ZINC001093579600 795390392 /nfs/dbraw/zinc/39/03/92/795390392.db2.gz FIPCHTRZKPWUCM-UHFFFAOYSA-N 1 2 344.455 2.495 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(Cc3ccccc3)CC2)C1 ZINC001107999916 795390723 /nfs/dbraw/zinc/39/07/23/795390723.db2.gz LEKSXSIWCAWEPD-LJQANCHMSA-N 1 2 328.456 2.402 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2(Cc3ccccc3)CC2)C1 ZINC001107999916 795390727 /nfs/dbraw/zinc/39/07/27/795390727.db2.gz LEKSXSIWCAWEPD-LJQANCHMSA-N 1 2 328.456 2.402 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCO[C@H](C)C3)CC2)C1 ZINC001093584692 795396873 /nfs/dbraw/zinc/39/68/73/795396873.db2.gz CDVVQBPUWZDLPE-CVEARBPZSA-N 1 2 336.476 2.069 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C(F)F)ncn2)C1 ZINC001079956851 795403187 /nfs/dbraw/zinc/40/31/87/795403187.db2.gz DKMIKJUPRACUDZ-PRHODGIISA-N 1 2 330.766 2.217 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C(F)F)ncn2)C1 ZINC001079956851 795403190 /nfs/dbraw/zinc/40/31/90/795403190.db2.gz DKMIKJUPRACUDZ-PRHODGIISA-N 1 2 330.766 2.217 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@@H]3CCCOC3)CC2)C1 ZINC001093598500 795438537 /nfs/dbraw/zinc/43/85/37/795438537.db2.gz QSAXIFAVWVRXDK-INIZCTEOSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3COc4ccccc43)CC2)C1 ZINC001093600641 795442569 /nfs/dbraw/zinc/44/25/69/795442569.db2.gz MEXXYLFNAWZNCO-GOSISDBHSA-N 1 2 342.439 2.040 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cncc(C)c1 ZINC001032753864 795452302 /nfs/dbraw/zinc/45/23/02/795452302.db2.gz POAFITMZQZZBJR-SFTDATJTSA-N 1 2 345.446 2.399 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cncc(C)c1 ZINC001032753864 795452305 /nfs/dbraw/zinc/45/23/05/795452305.db2.gz POAFITMZQZZBJR-SFTDATJTSA-N 1 2 345.446 2.399 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@H](C)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106441869 795595104 /nfs/dbraw/zinc/59/51/04/795595104.db2.gz GOSRVMNVAVAOBI-TZMCWYRMSA-N 1 2 330.432 2.007 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001080311378 795871429 /nfs/dbraw/zinc/87/14/29/795871429.db2.gz BVLHELGTDIREGB-FVQBIDKESA-N 1 2 344.459 2.175 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001080311378 795871439 /nfs/dbraw/zinc/87/14/39/795871439.db2.gz BVLHELGTDIREGB-FVQBIDKESA-N 1 2 344.459 2.175 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3)C[C@H]2C)C1 ZINC001080404701 795978966 /nfs/dbraw/zinc/97/89/66/795978966.db2.gz VTVAKUTVBJVJSF-NVXWUHKLSA-N 1 2 341.455 2.418 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)Nc3ccccc3)C[C@H]2C)C1 ZINC001080404701 795978969 /nfs/dbraw/zinc/97/89/69/795978969.db2.gz VTVAKUTVBJVJSF-NVXWUHKLSA-N 1 2 341.455 2.418 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3cc(C)nc3c2)C1 ZINC001080441130 796014850 /nfs/dbraw/zinc/01/48/50/796014850.db2.gz BMEANTOKEXBMIN-IAQYHMDHSA-N 1 2 332.835 2.445 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3cc(C)nc3c2)C1 ZINC001080441130 796014856 /nfs/dbraw/zinc/01/48/56/796014856.db2.gz BMEANTOKEXBMIN-IAQYHMDHSA-N 1 2 332.835 2.445 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3sccc3C)nn2)C1 ZINC001094269161 796053634 /nfs/dbraw/zinc/05/36/34/796053634.db2.gz MFLISMXKYMCXCY-UHFFFAOYSA-N 1 2 331.445 2.011 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ccc(C)cc3Cl)nn2)C1 ZINC001094318889 796085001 /nfs/dbraw/zinc/08/50/01/796085001.db2.gz DQLRWLFZARDVSL-UHFFFAOYSA-N 1 2 345.834 2.213 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCC=CCCC3)nn2)C1 ZINC001094297886 796097506 /nfs/dbraw/zinc/09/75/06/796097506.db2.gz DRMYRSIVLJOUNE-MRXNPFEDSA-N 1 2 343.475 2.464 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3cc(C)ccc3C)nn2)C1 ZINC001094336770 796109802 /nfs/dbraw/zinc/10/98/02/796109802.db2.gz QBUBNQDWLSQPNP-UHFFFAOYSA-N 1 2 339.443 2.258 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1nccs1 ZINC001080660920 796290301 /nfs/dbraw/zinc/29/03/01/796290301.db2.gz ZHVFBMONBUYVFA-IAQYHMDHSA-N 1 2 344.415 2.404 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1nccs1 ZINC001080660920 796290305 /nfs/dbraw/zinc/29/03/05/796290305.db2.gz ZHVFBMONBUYVFA-IAQYHMDHSA-N 1 2 344.415 2.404 20 30 EEEDLO N#Cc1cnc(NCCCNC(=O)CCCn2cc[nH+]c2)c(Cl)c1 ZINC001094470144 796297301 /nfs/dbraw/zinc/29/73/01/796297301.db2.gz PCRSXLOVBQCWCH-UHFFFAOYSA-N 1 2 346.822 2.202 20 30 EEEDLO C[C@@H](C[C@H](C)Nc1cccc(F)c1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001089346991 796380352 /nfs/dbraw/zinc/38/03/52/796380352.db2.gz SVANCPPQZHMYHU-STQMWFEESA-N 1 2 329.379 2.289 20 30 EEEDLO 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/nfs/dbraw/zinc/09/68/97/246096897.db2.gz OKQDWHKZHVVWAF-KRWDZBQOSA-N 1 2 338.455 2.352 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NCc2ccc(C)cc2)n1 ZINC000491645394 246096902 /nfs/dbraw/zinc/09/69/02/246096902.db2.gz OKQDWHKZHVVWAF-KRWDZBQOSA-N 1 2 338.455 2.352 20 30 EEEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000156296931 206067623 /nfs/dbraw/zinc/06/76/23/206067623.db2.gz NWUHHTVQYQEXRD-LJQANCHMSA-N 1 2 348.406 2.060 20 30 EEEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000156296931 206067628 /nfs/dbraw/zinc/06/76/28/206067628.db2.gz NWUHHTVQYQEXRD-LJQANCHMSA-N 1 2 348.406 2.060 20 30 EEEDLO C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000491802553 246161160 /nfs/dbraw/zinc/16/11/60/246161160.db2.gz GFMBWLPUAGXZHN-ZDUSSCGKSA-N 1 2 338.411 2.229 20 30 EEEDLO C=CC[N@@H+](Cc1c[nH]nc1-c1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000092361316 218136153 /nfs/dbraw/zinc/13/61/53/218136153.db2.gz DNUHYLKDXYNSAC-AWEZNQCLSA-N 1 2 349.431 2.391 20 30 EEEDLO C=CC[N@H+](Cc1c[nH]nc1-c1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000092361316 218136156 /nfs/dbraw/zinc/13/61/56/218136156.db2.gz DNUHYLKDXYNSAC-AWEZNQCLSA-N 1 2 349.431 2.391 20 30 EEEDLO C#CCOc1ccccc1C[N@H+](CCOC)Cc1ccn(CC#C)n1 ZINC000491737652 533191674 /nfs/dbraw/zinc/19/16/74/533191674.db2.gz VPYIKZZQCAEJFR-UHFFFAOYSA-N 1 2 337.423 2.177 20 30 EEEDLO C#CCOc1ccccc1C[N@@H+](CCOC)Cc1ccn(CC#C)n1 ZINC000491737652 533191676 /nfs/dbraw/zinc/19/16/76/533191676.db2.gz VPYIKZZQCAEJFR-UHFFFAOYSA-N 1 2 337.423 2.177 20 30 EEEDLO C#CCn1ccc(CN(CCOC)Cc2cn3c(cccc3C)[nH+]2)n1 ZINC000491628038 533219100 /nfs/dbraw/zinc/21/91/00/533219100.db2.gz KGQYAJJJBSWSDP-UHFFFAOYSA-N 1 2 337.427 2.121 20 30 EEEDLO CCCc1nc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)co1 ZINC000273511288 256302907 /nfs/dbraw/zinc/30/29/07/256302907.db2.gz DINOPIMQNFHDBP-UHFFFAOYSA-N 1 2 338.411 2.457 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ncccc3C#N)CC2)no1 ZINC000328656638 258018662 /nfs/dbraw/zinc/01/86/62/258018662.db2.gz ZMYGHUHBOYYMMK-OAHLLOKOSA-N 1 2 326.404 2.136 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ncccc3C#N)CC2)no1 ZINC000328656638 258018663 /nfs/dbraw/zinc/01/86/63/258018663.db2.gz ZMYGHUHBOYYMMK-OAHLLOKOSA-N 1 2 326.404 2.136 20 30 EEEDLO C#C[C@H](CC)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000491651016 533304243 /nfs/dbraw/zinc/30/42/43/533304243.db2.gz CUWGTLJPHJBMLG-BRWVUGGUSA-N 1 2 349.862 2.423 20 30 EEEDLO C#C[C@H](CC)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000491651016 533304247 /nfs/dbraw/zinc/30/42/47/533304247.db2.gz CUWGTLJPHJBMLG-BRWVUGGUSA-N 1 2 349.862 2.423 20 30 EEEDLO C#C[C@H](CCC)NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000491544094 533311296 /nfs/dbraw/zinc/31/12/96/533311296.db2.gz KFIVOPCLYWENPP-YQQAZPJKSA-N 1 2 344.459 2.296 20 30 EEEDLO C#C[C@H](NC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1)C(C)(C)C ZINC000491729462 533320291 /nfs/dbraw/zinc/32/02/91/533320291.db2.gz JXDURQGBPQKBIY-SFHVURJKSA-N 1 2 344.455 2.226 20 30 EEEDLO C#C[C@H](NC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1)C(C)(C)C ZINC000491729462 533320295 /nfs/dbraw/zinc/32/02/95/533320295.db2.gz JXDURQGBPQKBIY-SFHVURJKSA-N 1 2 344.455 2.226 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCc2cccc(C(=O)N(C)C)c2)cc1 ZINC000105394041 533419942 /nfs/dbraw/zinc/41/99/42/533419942.db2.gz QDPZSZQQPBBOBQ-UHFFFAOYSA-N 1 2 341.411 2.429 20 30 EEEDLO N#Cc1cccc(-n2ccc(C(=O)NCc3cn4ccccc4[nH+]3)n2)c1 ZINC000337004092 160587335 /nfs/dbraw/zinc/58/73/35/160587335.db2.gz XWHWLEXQJJRUHC-UHFFFAOYSA-N 1 2 342.362 2.322 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000344704343 161237554 /nfs/dbraw/zinc/23/75/54/161237554.db2.gz WBJTYENCSQWVOS-UHFFFAOYSA-N 1 2 348.428 2.229 20 30 EEEDLO N#Cc1ccc(OCC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000360011877 164215777 /nfs/dbraw/zinc/21/57/77/164215777.db2.gz YJAVSXUFIZVKBT-UHFFFAOYSA-N 1 2 332.363 2.439 20 30 EEEDLO CC(C)(C)OC(=O)C1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000360287304 164275698 /nfs/dbraw/zinc/27/56/98/164275698.db2.gz SYHPATOQLAAVRC-INIZCTEOSA-N 1 2 343.427 2.138 20 30 EEEDLO CCOC(=O)[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@H](C)CC ZINC000411475734 267132553 /nfs/dbraw/zinc/13/25/53/267132553.db2.gz FNVWPAPMFMUNFH-DYVFJYSZSA-N 1 2 331.416 2.454 20 30 EEEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)F ZINC000455167944 267190604 /nfs/dbraw/zinc/19/06/04/267190604.db2.gz YFXZRVXODPLRQW-OAHLLOKOSA-N 1 2 336.386 2.429 20 30 EEEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000348030133 268085873 /nfs/dbraw/zinc/08/58/73/268085873.db2.gz IVAWIKPJWBYQQC-KRWDZBQOSA-N 1 2 343.390 2.247 20 30 EEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000348329314 268089497 /nfs/dbraw/zinc/08/94/97/268089497.db2.gz XRDODYMFJPFTIT-IEBWSBKVSA-N 1 2 346.390 2.315 20 30 EEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000348030136 268091018 /nfs/dbraw/zinc/09/10/18/268091018.db2.gz IVAWIKPJWBYQQC-QGZVFWFLSA-N 1 2 343.390 2.247 20 30 EEEDLO N#Cc1ccnc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)n1 ZINC000294899993 268295256 /nfs/dbraw/zinc/29/52/56/268295256.db2.gz HAZTWDKOVIANAQ-UHFFFAOYSA-N 1 2 330.395 2.350 20 30 EEEDLO CCc1nnc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[nH]1 ZINC000274573181 269039171 /nfs/dbraw/zinc/03/91/71/269039171.db2.gz FXFWDZJXRGDOIG-UHFFFAOYSA-N 1 2 338.415 2.089 20 30 EEEDLO CC(C)c1n[nH]cc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000277811770 269185914 /nfs/dbraw/zinc/18/59/14/269185914.db2.gz PNGJJTGQAACHCR-UHFFFAOYSA-N 1 2 337.427 2.363 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc3NC2=O)c1 ZINC000191950889 275388393 /nfs/dbraw/zinc/38/83/93/275388393.db2.gz RAGIWOJNWUDRPC-IBGZPJMESA-N 1 2 347.418 2.492 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H]2CCc3ccccc3NC2=O)c1 ZINC000191950889 275388397 /nfs/dbraw/zinc/38/83/97/275388397.db2.gz RAGIWOJNWUDRPC-IBGZPJMESA-N 1 2 347.418 2.492 20 30 EEEDLO CC(C)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1nncn1C ZINC000352442010 275704742 /nfs/dbraw/zinc/70/47/42/275704742.db2.gz IHLURXXDQVMNFM-HNNXBMFYSA-N 1 2 346.822 2.266 20 30 EEEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000472354859 280399110 /nfs/dbraw/zinc/39/91/10/280399110.db2.gz ZQURADDOEXDTJU-SJORKVTESA-N 1 2 348.491 2.050 20 30 EEEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000472354859 280399112 /nfs/dbraw/zinc/39/91/12/280399112.db2.gz ZQURADDOEXDTJU-SJORKVTESA-N 1 2 348.491 2.050 20 30 EEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000170738549 311395536 /nfs/dbraw/zinc/39/55/36/311395536.db2.gz NWKMLJKYHVBFQA-LBPRGKRZSA-N 1 2 348.834 2.128 20 30 EEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000170738549 311395538 /nfs/dbraw/zinc/39/55/38/311395538.db2.gz NWKMLJKYHVBFQA-LBPRGKRZSA-N 1 2 348.834 2.128 20 30 EEEDLO C[C@@H](CC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)n1cc[nH+]c1 ZINC000565662377 319202335 /nfs/dbraw/zinc/20/23/35/319202335.db2.gz VWASMMWYYIOCQT-AWEZNQCLSA-N 1 2 341.390 2.194 20 30 EEEDLO N#Cc1ccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(Cl)c1 ZINC000582105184 324379614 /nfs/dbraw/zinc/37/96/14/324379614.db2.gz OKQUDJHVAOMCIR-BETUJISGSA-N 1 2 334.807 2.196 20 30 EEEDLO N#Cc1ccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(Cl)c1 ZINC000582105184 324379617 /nfs/dbraw/zinc/37/96/17/324379617.db2.gz OKQUDJHVAOMCIR-BETUJISGSA-N 1 2 334.807 2.196 20 30 EEEDLO CCN1CC[NH+]([C@@H](C)CNc2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000619694574 450308233 /nfs/dbraw/zinc/30/82/33/450308233.db2.gz BDIPNRYUFMSLAO-LBPRGKRZSA-N 1 2 341.381 2.410 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)[C@@H]2CC)CC1 ZINC001087713937 782112944 /nfs/dbraw/zinc/11/29/44/782112944.db2.gz VFHSNNRBSKQRPQ-DLBZAZTESA-N 1 2 331.464 2.031 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)[C@@H]2CC)CC1 ZINC001087713937 782112952 /nfs/dbraw/zinc/11/29/52/782112952.db2.gz VFHSNNRBSKQRPQ-DLBZAZTESA-N 1 2 331.464 2.031 20 30 EEEDLO N#CCN1CCC(Nc2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000327751370 465053128 /nfs/dbraw/zinc/05/31/28/465053128.db2.gz POASYZGYPWQUHF-UHFFFAOYSA-N 1 2 333.399 2.215 20 30 EEEDLO N#CCCOCC[NH2+][C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000339098869 465081897 /nfs/dbraw/zinc/08/18/97/465081897.db2.gz UKIBILQHOICBSZ-ZDUSSCGKSA-N 1 2 339.321 2.433 20 30 EEEDLO CC1(C)SC[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000328737914 465114974 /nfs/dbraw/zinc/11/49/74/465114974.db2.gz KLCRGFLMNPRUMV-INIZCTEOSA-N 1 2 344.484 2.484 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)nc1 ZINC000339211675 465144318 /nfs/dbraw/zinc/14/43/18/465144318.db2.gz YJSUPENMTXEUAC-OAHLLOKOSA-N 1 2 340.339 2.220 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)nc1 ZINC000339211675 465144322 /nfs/dbraw/zinc/14/43/22/465144322.db2.gz YJSUPENMTXEUAC-OAHLLOKOSA-N 1 2 340.339 2.220 20 30 EEEDLO C[C@H](CNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1)c1ccccc1 ZINC000328929092 465170637 /nfs/dbraw/zinc/17/06/37/465170637.db2.gz YIGJKTDPLYOPKH-VNHYZAJKSA-N 1 2 344.415 2.211 20 30 EEEDLO C[C@H](CNC(=O)[C@H](C)[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1)c1ccccc1 ZINC000328929092 465170643 /nfs/dbraw/zinc/17/06/43/465170643.db2.gz YIGJKTDPLYOPKH-VNHYZAJKSA-N 1 2 344.415 2.211 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@H]2CCCS2)CCC(=O)N1C1CC1 ZINC000329043206 465213986 /nfs/dbraw/zinc/21/39/86/465213986.db2.gz UCRGSESMUSODFN-XNRPHZJLSA-N 1 2 348.472 2.467 20 30 EEEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000329084663 465228588 /nfs/dbraw/zinc/22/85/88/465228588.db2.gz TXCRRAKLLSAXPP-RDJZCZTQSA-N 1 2 345.443 2.234 20 30 EEEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000329084663 465228593 /nfs/dbraw/zinc/22/85/93/465228593.db2.gz TXCRRAKLLSAXPP-RDJZCZTQSA-N 1 2 345.443 2.234 20 30 EEEDLO Cc1cc([C@@H]2CCCN2C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)on1 ZINC000329129400 465242570 /nfs/dbraw/zinc/24/25/70/465242570.db2.gz VYQMGXDXZMYKKB-ILXRZTDVSA-N 1 2 336.436 2.143 20 30 EEEDLO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C[C@@H](C)C#N ZINC000355608393 465259900 /nfs/dbraw/zinc/25/99/00/465259900.db2.gz PQTGNAGKVKPNOU-LBPRGKRZSA-N 1 2 335.360 2.128 20 30 EEEDLO CC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C[C@@H](C)C#N ZINC000355608393 465259906 /nfs/dbraw/zinc/25/99/06/465259906.db2.gz PQTGNAGKVKPNOU-LBPRGKRZSA-N 1 2 335.360 2.128 20 30 EEEDLO COCC1(C#N)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000341980255 465281752 /nfs/dbraw/zinc/28/17/52/465281752.db2.gz CKUBKLPCZDVZEI-UHFFFAOYSA-N 1 2 329.360 2.223 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2cc(C)nn2C(C)(C)C)CC1 ZINC000341998436 465284361 /nfs/dbraw/zinc/28/43/61/465284361.db2.gz UROJQNYQJHKEOM-UHFFFAOYSA-N 1 2 347.463 2.137 20 30 EEEDLO CC[C@@](C)(C#N)C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000351671752 465284809 /nfs/dbraw/zinc/28/48/09/465284809.db2.gz KENUOHHGERTBEL-KRWDZBQOSA-N 1 2 327.388 2.278 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/c1cccc(Cl)c1 ZINC000060855753 462567479 /nfs/dbraw/zinc/56/74/79/462567479.db2.gz JLUJNKUFSCCCKH-AATRIKPKSA-N 1 2 347.846 2.428 20 30 EEEDLO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000074917446 462653340 /nfs/dbraw/zinc/65/33/40/462653340.db2.gz YNIPRKDYHLYVNU-QAPCUYQASA-N 1 2 342.443 2.125 20 30 EEEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2nccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000590695526 468309513 /nfs/dbraw/zinc/30/95/13/468309513.db2.gz QSVVZYBHJIIKLZ-JKSUJKDBSA-N 1 2 343.818 2.485 20 30 EEEDLO C[N@H+]1CCO[C@H]([C@H](Nc2nccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000590695526 468309519 /nfs/dbraw/zinc/30/95/19/468309519.db2.gz QSVVZYBHJIIKLZ-JKSUJKDBSA-N 1 2 343.818 2.485 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(CCOc2ccccc2C#N)CC1 ZINC000065544720 462794728 /nfs/dbraw/zinc/79/47/28/462794728.db2.gz YHTJNOCELCQWNG-UHFFFAOYSA-N 1 2 340.427 2.360 20 30 EEEDLO Cc1noc(C)c1CN1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000065544720 462794733 /nfs/dbraw/zinc/79/47/33/462794733.db2.gz YHTJNOCELCQWNG-UHFFFAOYSA-N 1 2 340.427 2.360 20 30 EEEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000090613460 462804101 /nfs/dbraw/zinc/80/41/01/462804101.db2.gz XNNZCEYZJCBNHK-UHFFFAOYSA-N 1 2 330.819 2.354 20 30 EEEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000090613460 462804106 /nfs/dbraw/zinc/80/41/06/462804106.db2.gz XNNZCEYZJCBNHK-UHFFFAOYSA-N 1 2 330.819 2.354 20 30 EEEDLO C=CCCOCCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000154908184 462822105 /nfs/dbraw/zinc/82/21/05/462822105.db2.gz DVUACVKETVGQMJ-UHFFFAOYSA-N 1 2 340.427 2.239 20 30 EEEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2cccc3cc(C)cnc32)CC1 ZINC000132518382 462862382 /nfs/dbraw/zinc/86/23/82/462862382.db2.gz WZFPCHZTPYBNIR-UHFFFAOYSA-N 1 2 345.468 2.426 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc[nH]c3=S)CC2)cc1 ZINC000014043615 462908565 /nfs/dbraw/zinc/90/85/65/462908565.db2.gz XXBDQFRIZLYQKH-UHFFFAOYSA-N 1 2 338.436 2.200 20 30 EEEDLO C=CC[N@@H+](C)CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000121404377 463129964 /nfs/dbraw/zinc/12/99/64/463129964.db2.gz DTXNAZLTFVKZCU-UHFFFAOYSA-N 1 2 341.411 2.290 20 30 EEEDLO C=CC[N@H+](C)CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000121404377 463129968 /nfs/dbraw/zinc/12/99/68/463129968.db2.gz DTXNAZLTFVKZCU-UHFFFAOYSA-N 1 2 341.411 2.290 20 30 EEEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)[C@@H](C)C(=O)N(C)CCC#N ZINC000078585744 463130939 /nfs/dbraw/zinc/13/09/39/463130939.db2.gz LWMUAFCHFVKCNZ-INIZCTEOSA-N 1 2 344.459 2.406 20 30 EEEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@@H](C)C(=O)N(C)CCC#N ZINC000078585744 463130942 /nfs/dbraw/zinc/13/09/42/463130942.db2.gz LWMUAFCHFVKCNZ-INIZCTEOSA-N 1 2 344.459 2.406 20 30 EEEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)[C@H](C)C(=O)N(C)CCC#N ZINC000078585750 463131664 /nfs/dbraw/zinc/13/16/64/463131664.db2.gz LWMUAFCHFVKCNZ-MRXNPFEDSA-N 1 2 344.459 2.406 20 30 EEEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@H](C)C(=O)N(C)CCC#N ZINC000078585750 463131670 /nfs/dbraw/zinc/13/16/70/463131670.db2.gz LWMUAFCHFVKCNZ-MRXNPFEDSA-N 1 2 344.459 2.406 20 30 EEEDLO CN(C)c1ccc(CNC(=O)NCc2ccc(OCC#N)cc2)c[nH+]1 ZINC000069267490 463224371 /nfs/dbraw/zinc/22/43/71/463224371.db2.gz BQBOUDQVOKJJHD-UHFFFAOYSA-N 1 2 339.399 2.049 20 30 EEEDLO C[C@H]([C@H](C)NC(=O)c1cccc(SCC#N)c1)[NH+]1CCOCC1 ZINC000079542059 463225643 /nfs/dbraw/zinc/22/56/43/463225643.db2.gz CFJUZPLGJHQFKU-UONOGXRCSA-N 1 2 333.457 2.141 20 30 EEEDLO O=C(C#Cc1ccc2c(c1)OCO2)NCCCCNc1cccc[nH+]1 ZINC000137507227 463295695 /nfs/dbraw/zinc/29/56/95/463295695.db2.gz GFHRCFXXECHXGL-UHFFFAOYSA-N 1 2 337.379 2.170 20 30 EEEDLO C#C[C@H](C)[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000491453139 468359085 /nfs/dbraw/zinc/35/90/85/468359085.db2.gz POVKBWOLYZHHDB-AWEZNQCLSA-N 1 2 325.412 2.238 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000491453139 468359089 /nfs/dbraw/zinc/35/90/89/468359089.db2.gz POVKBWOLYZHHDB-AWEZNQCLSA-N 1 2 325.412 2.238 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(NC(N)=O)CC1 ZINC000081541847 463456187 /nfs/dbraw/zinc/45/61/87/463456187.db2.gz AGHWKOLKKAARRK-UHFFFAOYSA-N 1 2 348.472 2.036 20 30 EEEDLO C=CC[N@@H+](CCOc1ccc(SC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000072629713 463527007 /nfs/dbraw/zinc/52/70/07/463527007.db2.gz PBMRHWLLYMMTAQ-CQSZACIVSA-N 1 2 341.498 2.462 20 30 EEEDLO C=CC[N@H+](CCOc1ccc(SC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000072629713 463527013 /nfs/dbraw/zinc/52/70/13/463527013.db2.gz PBMRHWLLYMMTAQ-CQSZACIVSA-N 1 2 341.498 2.462 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)cn1)c1cccc(F)c1 ZINC000107438641 463570182 /nfs/dbraw/zinc/57/01/82/463570182.db2.gz BZCGVGLYCRSDMS-INIZCTEOSA-N 1 2 335.342 2.345 20 30 EEEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000125843528 463585545 /nfs/dbraw/zinc/58/55/45/463585545.db2.gz HZZLRWKAAIIFBS-KRWDZBQOSA-N 1 2 337.354 2.461 20 30 EEEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000125843528 463585550 /nfs/dbraw/zinc/58/55/50/463585550.db2.gz HZZLRWKAAIIFBS-KRWDZBQOSA-N 1 2 337.354 2.461 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2cc(C)ccn2)CC1 ZINC000166161846 463652313 /nfs/dbraw/zinc/65/23/13/463652313.db2.gz YBTQGDRLGVZQIR-QGZVFWFLSA-N 1 2 330.476 2.325 20 30 EEEDLO CC(C)[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1nc(-c2nc[nH]n2)no1 ZINC000184875971 463711179 /nfs/dbraw/zinc/71/11/79/463711179.db2.gz LOILYXKYSZLPET-CYBMUJFWSA-N 1 2 341.350 2.352 20 30 EEEDLO CC1(C)C[N@H+](CCNC(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000171226987 463819840 /nfs/dbraw/zinc/81/98/40/463819840.db2.gz KBJOUTLIHWIGBO-UHFFFAOYSA-N 1 2 336.823 2.444 20 30 EEEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000171226987 463819845 /nfs/dbraw/zinc/81/98/45/463819845.db2.gz KBJOUTLIHWIGBO-UHFFFAOYSA-N 1 2 336.823 2.444 20 30 EEEDLO C=CCSCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000194562157 463885602 /nfs/dbraw/zinc/88/56/02/463885602.db2.gz IJEVNZFOACKNJQ-QGZVFWFLSA-N 1 2 349.500 2.278 20 30 EEEDLO COC[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000179009383 464035881 /nfs/dbraw/zinc/03/58/81/464035881.db2.gz NIEFMJJNCALYJL-HNNXBMFYSA-N 1 2 329.318 2.284 20 30 EEEDLO COC[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000179009383 464035886 /nfs/dbraw/zinc/03/58/86/464035886.db2.gz NIEFMJJNCALYJL-HNNXBMFYSA-N 1 2 329.318 2.284 20 30 EEEDLO Cc1nsc(N2CC[NH+](C[C@H](O)c3ccc(F)cc3)CC2)c1C#N ZINC000289367942 464075192 /nfs/dbraw/zinc/07/51/92/464075192.db2.gz AXWWJJACICLPJA-INIZCTEOSA-N 1 2 346.431 2.318 20 30 EEEDLO C=CCC[C@H](NC(=O)C(=O)N(C)Cc1[nH+]ccn1C)c1ccccc1 ZINC000289451164 464078906 /nfs/dbraw/zinc/07/89/06/464078906.db2.gz VLFNIRGNMOAUKU-INIZCTEOSA-N 1 2 340.427 2.202 20 30 EEEDLO CN(C(=O)C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1)C1(C#N)CCCCC1 ZINC000289997639 464103449 /nfs/dbraw/zinc/10/34/49/464103449.db2.gz SULWOZDQXLMNKP-OAHLLOKOSA-N 1 2 349.866 2.468 20 30 EEEDLO CN(C(=O)C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1)C1(C#N)CCCCC1 ZINC000289997639 464103454 /nfs/dbraw/zinc/10/34/54/464103454.db2.gz SULWOZDQXLMNKP-OAHLLOKOSA-N 1 2 349.866 2.468 20 30 EEEDLO COc1ccc(OC)c(C[NH+]2CCN(c3cnccc3C#N)CC2)c1 ZINC000269991898 464151110 /nfs/dbraw/zinc/15/11/10/464151110.db2.gz VCVRVNBTQNPXGB-UHFFFAOYSA-N 1 2 338.411 2.293 20 30 EEEDLO Cc1nsc(N2CC[NH+](Cc3cnn(C(C)C)c3)CC2)c1C#N ZINC000291568296 464156634 /nfs/dbraw/zinc/15/66/34/464156634.db2.gz NQFMOGMAUYVPKH-UHFFFAOYSA-N 1 2 330.461 2.423 20 30 EEEDLO N#CCOc1ccc(/C=C/C(=O)NCc2cn3c([nH+]2)CCCC3)cc1 ZINC000263831060 464208999 /nfs/dbraw/zinc/20/89/99/464208999.db2.gz PDKBPDDLHQUPQZ-RMKNXTFCSA-N 1 2 336.395 2.451 20 30 EEEDLO Cc1nnc([C@H]2CC[N@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C2)[nH]1 ZINC000591053715 468400265 /nfs/dbraw/zinc/40/02/65/468400265.db2.gz FERONPNFOHOESQ-HNNXBMFYSA-N 1 2 347.426 2.468 20 30 EEEDLO Cc1nnc([C@H]2CC[N@@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C2)[nH]1 ZINC000591053715 468400271 /nfs/dbraw/zinc/40/02/71/468400271.db2.gz FERONPNFOHOESQ-HNNXBMFYSA-N 1 2 347.426 2.468 20 30 EEEDLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C2)n1 ZINC000591053715 468400274 /nfs/dbraw/zinc/40/02/74/468400274.db2.gz FERONPNFOHOESQ-HNNXBMFYSA-N 1 2 347.426 2.468 20 30 EEEDLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C2)n1 ZINC000591053715 468400277 /nfs/dbraw/zinc/40/02/77/468400277.db2.gz FERONPNFOHOESQ-HNNXBMFYSA-N 1 2 347.426 2.468 20 30 EEEDLO C=CC[C@@H](CC)NC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000280892345 464267467 /nfs/dbraw/zinc/26/74/67/464267467.db2.gz DBGVOSQRQWITBU-GDBMZVCRSA-N 1 2 332.448 2.461 20 30 EEEDLO C=CCC(C)(C)CNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000292543481 464268224 /nfs/dbraw/zinc/26/82/24/464268224.db2.gz QWWDBBJHOBMUKR-UHFFFAOYSA-N 1 2 332.448 2.320 20 30 EEEDLO Cc1cc(NC(=O)NCCc2cn3ccccc3[nH+]2)nn1CCC#N ZINC000271181160 464287577 /nfs/dbraw/zinc/28/75/77/464287577.db2.gz OSGRSYBKILXJMA-UHFFFAOYSA-N 1 2 337.387 2.117 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(SC)cc2)C1=O ZINC000281201878 464368325 /nfs/dbraw/zinc/36/83/25/464368325.db2.gz CLQIRJJVAMNZGG-CZUORRHYSA-N 1 2 347.484 2.454 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(SC)cc2)C1=O ZINC000281201878 464368333 /nfs/dbraw/zinc/36/83/33/464368333.db2.gz CLQIRJJVAMNZGG-CZUORRHYSA-N 1 2 347.484 2.454 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccccc2Cl)C1=O ZINC000281332804 464417441 /nfs/dbraw/zinc/41/74/41/464417441.db2.gz LXCDSWIBRXGMPD-CZUORRHYSA-N 1 2 349.862 2.236 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](C)c2ccccc2Cl)C1=O ZINC000281332804 464417447 /nfs/dbraw/zinc/41/74/47/464417447.db2.gz LXCDSWIBRXGMPD-CZUORRHYSA-N 1 2 349.862 2.236 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C)cc2C)C1=O ZINC000281407993 464442894 /nfs/dbraw/zinc/44/28/94/464442894.db2.gz QZWFQKUDYGNSQD-RDJZCZTQSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(C)cc2C)C1=O ZINC000281407993 464442896 /nfs/dbraw/zinc/44/28/96/464442896.db2.gz QZWFQKUDYGNSQD-RDJZCZTQSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)N(CC)Cc2ccccc2)C1=O ZINC000281432767 464453846 /nfs/dbraw/zinc/45/38/46/464453846.db2.gz SPQYPTWKJAMREJ-SJLPKXTDSA-N 1 2 343.471 2.142 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)N(CC)Cc2ccccc2)C1=O ZINC000281432767 464453852 /nfs/dbraw/zinc/45/38/52/464453852.db2.gz SPQYPTWKJAMREJ-SJLPKXTDSA-N 1 2 343.471 2.142 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2c2cccc(F)c2)CCCCC1 ZINC000281579777 464510666 /nfs/dbraw/zinc/51/06/66/464510666.db2.gz DTYNYXDRKMAGQI-SJORKVTESA-N 1 2 345.418 2.276 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2c2cccc(F)c2)CCCCC1 ZINC000281579777 464510674 /nfs/dbraw/zinc/51/06/74/464510674.db2.gz DTYNYXDRKMAGQI-SJORKVTESA-N 1 2 345.418 2.276 20 30 EEEDLO C=CC[C@H](CC)NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000281590111 464515397 /nfs/dbraw/zinc/51/53/97/464515397.db2.gz ZCZQOYKBBVSYSJ-AWEZNQCLSA-N 1 2 326.400 2.497 20 30 EEEDLO C#CCO[C@H](C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000294600662 464548990 /nfs/dbraw/zinc/54/89/90/464548990.db2.gz WJELSWWEOWIPMB-HRCADAONSA-N 1 2 330.428 2.273 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000247189809 464655607 /nfs/dbraw/zinc/65/56/07/464655607.db2.gz WKPJPWMFRJDHSK-IQMFZBJNSA-N 1 2 334.485 2.445 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000247189809 464655610 /nfs/dbraw/zinc/65/56/10/464655610.db2.gz WKPJPWMFRJDHSK-IQMFZBJNSA-N 1 2 334.485 2.445 20 30 EEEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCCCC#N)CC2)c1 ZINC000273193508 464707723 /nfs/dbraw/zinc/70/77/23/464707723.db2.gz HSEVYGXSQNEWEL-HNNXBMFYSA-N 1 2 330.432 2.387 20 30 EEEDLO CC(C)N1CCC[C@H]([NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1=O ZINC000176151737 464708511 /nfs/dbraw/zinc/70/85/11/464708511.db2.gz CFLHFLXBRHDOMS-RBUKOAKNSA-N 1 2 340.471 2.268 20 30 EEEDLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)o1 ZINC000248637813 464776358 /nfs/dbraw/zinc/77/63/58/464776358.db2.gz WQSRLOUTKUHXLP-YJBOKZPZSA-N 1 2 331.416 2.371 20 30 EEEDLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)o1 ZINC000248637813 464776361 /nfs/dbraw/zinc/77/63/61/464776361.db2.gz WQSRLOUTKUHXLP-YJBOKZPZSA-N 1 2 331.416 2.371 20 30 EEEDLO C=CCn1c(-c2cccn2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000282375770 464794229 /nfs/dbraw/zinc/79/42/29/464794229.db2.gz UTBYRHVFRAPWRS-UHFFFAOYSA-N 1 2 349.442 2.191 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2ccccc2C#N)CC1(C)C ZINC000295344751 464796963 /nfs/dbraw/zinc/79/69/63/464796963.db2.gz QYDDCGBGAIMFJX-CQSZACIVSA-N 1 2 330.413 2.064 20 30 EEEDLO COC(=O)[C@@]1(C)CCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248771546 464799072 /nfs/dbraw/zinc/79/90/72/464799072.db2.gz SQPFGOGEGXRKLH-QFBILLFUSA-N 1 2 341.411 2.081 20 30 EEEDLO COC(=O)[C@@]1(C)CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248771546 464799081 /nfs/dbraw/zinc/79/90/81/464799081.db2.gz SQPFGOGEGXRKLH-QFBILLFUSA-N 1 2 341.411 2.081 20 30 EEEDLO C=CC[C@]1(C(=O)NCCc2[nH]cc[nH+]2)CCCN1C(=O)OC(C)(C)C ZINC000191552764 464820783 /nfs/dbraw/zinc/82/07/83/464820783.db2.gz IBORNOHSEWHKPL-GOSISDBHSA-N 1 2 348.447 2.414 20 30 EEEDLO Cc1csc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 ZINC000192242795 464893206 /nfs/dbraw/zinc/89/32/06/464893206.db2.gz HOVNQTGJWBAIKH-OAHLLOKOSA-N 1 2 326.425 2.214 20 30 EEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccccc3OC(F)(F)F)C[C@H]21 ZINC000329959954 465488347 /nfs/dbraw/zinc/48/83/47/465488347.db2.gz NPULVDWCVZMFCU-YPMHNXCESA-N 1 2 345.321 2.146 20 30 EEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccccc3OC(F)(F)F)C[C@H]21 ZINC000329959954 465488349 /nfs/dbraw/zinc/48/83/49/465488349.db2.gz NPULVDWCVZMFCU-YPMHNXCESA-N 1 2 345.321 2.146 20 30 EEEDLO O=C(N[C@@H]1CN(c2ccccc2)C1=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329388278 465318805 /nfs/dbraw/zinc/31/88/05/465318805.db2.gz RGJIQVPWLBERKJ-SJORKVTESA-N 1 2 343.427 2.002 20 30 EEEDLO O=C(N[C@@H]1CN(c2ccccc2)C1=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329388278 465318812 /nfs/dbraw/zinc/31/88/12/465318812.db2.gz RGJIQVPWLBERKJ-SJORKVTESA-N 1 2 343.427 2.002 20 30 EEEDLO CCCNC(=O)C1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329633910 465392494 /nfs/dbraw/zinc/39/24/94/465392494.db2.gz WWRXJKRUDXNEPF-CYBMUJFWSA-N 1 2 333.436 2.260 20 30 EEEDLO CCCNC(=O)C1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329633910 465392502 /nfs/dbraw/zinc/39/25/02/465392502.db2.gz WWRXJKRUDXNEPF-CYBMUJFWSA-N 1 2 333.436 2.260 20 30 EEEDLO CC(C)(C)[C@@H]1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@H]1O ZINC000329859839 465455006 /nfs/dbraw/zinc/45/50/06/465455006.db2.gz PBHVMSOVWMWRJN-RRFJBIMHSA-N 1 2 334.464 2.403 20 30 EEEDLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1CCC(=O)CC1 ZINC000329901623 465468192 /nfs/dbraw/zinc/46/81/92/465468192.db2.gz OSEMDKOPXQITTK-HNNXBMFYSA-N 1 2 344.459 2.308 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CN(CC(=O)Nc2ccccc2F)CCN1C ZINC000329914373 465472139 /nfs/dbraw/zinc/47/21/39/465472139.db2.gz PCIHCEQVLOIFRL-HNNXBMFYSA-N 1 2 331.395 2.136 20 30 EEEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCOC[C@@H](C2CCC2)C1 ZINC000330125161 465540793 /nfs/dbraw/zinc/54/07/93/465540793.db2.gz BJAZHFUBFAWYEU-INIZCTEOSA-N 1 2 346.475 2.424 20 30 EEEDLO CC(C)(C#N)CC[N@@H+]1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000348320221 465549447 /nfs/dbraw/zinc/54/94/47/465549447.db2.gz NJKLSUYBHZFNFJ-AWEZNQCLSA-N 1 2 326.400 2.111 20 30 EEEDLO CC(C)(C#N)CC[N@H+]1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000348320221 465549450 /nfs/dbraw/zinc/54/94/50/465549450.db2.gz NJKLSUYBHZFNFJ-AWEZNQCLSA-N 1 2 326.400 2.111 20 30 EEEDLO C=C[C@](C)(CC)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000344053903 465580599 /nfs/dbraw/zinc/58/05/99/465580599.db2.gz XGYOWEMVSAIJDX-GOSISDBHSA-N 1 2 330.432 2.010 20 30 EEEDLO CNC(=O)c1cccc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1C ZINC000330435123 465659787 /nfs/dbraw/zinc/65/97/87/465659787.db2.gz LVZCRCDPPKGVJS-UHFFFAOYSA-N 1 2 348.447 2.366 20 30 EEEDLO CNC(=O)c1cccc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)c1C ZINC000330435123 465659793 /nfs/dbraw/zinc/65/97/93/465659793.db2.gz LVZCRCDPPKGVJS-UHFFFAOYSA-N 1 2 348.447 2.366 20 30 EEEDLO C=CCOC[C@@H](NCc1c[nH+]c(C)n1-c1ccccc1)C(=O)OC ZINC000361108345 465770495 /nfs/dbraw/zinc/77/04/95/465770495.db2.gz KCXWCCLGFOIRPL-QGZVFWFLSA-N 1 2 329.400 2.015 20 30 EEEDLO Cc1onc(CC(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1C#N ZINC000338262073 465958304 /nfs/dbraw/zinc/95/83/04/465958304.db2.gz QRGVLLNYEXTOHG-INIZCTEOSA-N 1 2 344.802 2.224 20 30 EEEDLO CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000331219628 465985247 /nfs/dbraw/zinc/98/52/47/465985247.db2.gz AWIPDAUWRCIPKL-KFWWJZLASA-N 1 2 340.468 2.037 20 30 EEEDLO CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000331219628 465985256 /nfs/dbraw/zinc/98/52/56/465985256.db2.gz AWIPDAUWRCIPKL-KFWWJZLASA-N 1 2 340.468 2.037 20 30 EEEDLO N#Cc1ncccc1NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000357535215 466109874 /nfs/dbraw/zinc/10/98/74/466109874.db2.gz NAOSFXUEOHTCBI-UHFFFAOYSA-N 1 2 341.459 2.090 20 30 EEEDLO Cc1onc(CC(=O)NCc2[nH+]ccn2CCc2ccccc2)c1C#N ZINC000353880264 466226425 /nfs/dbraw/zinc/22/64/25/466226425.db2.gz JHDWMZANKCTKEW-UHFFFAOYSA-N 1 2 349.394 2.153 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@](F)(CO)C2)c1 ZINC000338588050 466239566 /nfs/dbraw/zinc/23/95/66/466239566.db2.gz SCWNYXZXXSTATB-LPHOPBHVSA-N 1 2 347.434 2.345 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@](F)(CO)C2)c1 ZINC000338588050 466239571 /nfs/dbraw/zinc/23/95/71/466239571.db2.gz SCWNYXZXXSTATB-LPHOPBHVSA-N 1 2 347.434 2.345 20 30 EEEDLO COCC[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(C)o1 ZINC000349947824 466322346 /nfs/dbraw/zinc/32/23/46/466322346.db2.gz FVYJTGVFDPZPEE-RDJZCZTQSA-N 1 2 327.384 2.354 20 30 EEEDLO C#CCOc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)NC)cc1 ZINC000372443020 466384747 /nfs/dbraw/zinc/38/47/47/466384747.db2.gz DPNCLOLVEBCXLY-FQEVSTJZSA-N 1 2 334.419 2.372 20 30 EEEDLO C#CCOc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)NC)cc1 ZINC000372443020 466384752 /nfs/dbraw/zinc/38/47/52/466384752.db2.gz DPNCLOLVEBCXLY-FQEVSTJZSA-N 1 2 334.419 2.372 20 30 EEEDLO N#Cc1ccncc1N1CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000555650407 468489159 /nfs/dbraw/zinc/48/91/59/468489159.db2.gz GFTMFUXPNAYJCP-GOSISDBHSA-N 1 2 347.422 2.029 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000372483212 466413307 /nfs/dbraw/zinc/41/33/07/466413307.db2.gz UALIVTKANKMIDV-AWEZNQCLSA-N 1 2 343.456 2.442 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000372483212 466413316 /nfs/dbraw/zinc/41/33/16/466413316.db2.gz UALIVTKANKMIDV-AWEZNQCLSA-N 1 2 343.456 2.442 20 30 EEEDLO CCOc1ccc(N2CC[NH+](Cc3cc(C#N)cs3)CC2)nn1 ZINC000597245437 468494525 /nfs/dbraw/zinc/49/45/25/468494525.db2.gz YINODJFPVVYMEC-UHFFFAOYSA-N 1 2 329.429 2.131 20 30 EEEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1ccc(C#N)cc1Cl ZINC000416918446 466751997 /nfs/dbraw/zinc/75/19/97/466751997.db2.gz KHANMXRXGPIJAI-UHFFFAOYSA-N 1 2 336.823 2.444 20 30 EEEDLO COc1cc(OC)cc(C(=O)N2CC[NH+]([C@H](C)CCC#N)CC2)c1 ZINC000411120564 466769989 /nfs/dbraw/zinc/76/99/89/466769989.db2.gz PVWHAUJEPQSQEY-CQSZACIVSA-N 1 2 331.416 2.154 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CCC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC000377560320 467087196 /nfs/dbraw/zinc/08/71/96/467087196.db2.gz PZKZISXQZFDJKH-INIZCTEOSA-N 1 2 335.448 2.307 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CCC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC000377560320 467087198 /nfs/dbraw/zinc/08/71/98/467087198.db2.gz PZKZISXQZFDJKH-INIZCTEOSA-N 1 2 335.448 2.307 20 30 EEEDLO CO[C@H]1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000432057396 467210742 /nfs/dbraw/zinc/21/07/42/467210742.db2.gz MHUHPMAFLARIBT-MOPGFXCFSA-N 1 2 341.455 2.408 20 30 EEEDLO Cc1cc(Br)ccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414166732 467385418 /nfs/dbraw/zinc/38/54/18/467385418.db2.gz RNDFVDFHYZFBLU-CYBMUJFWSA-N 1 2 327.222 2.343 20 30 EEEDLO Cc1cc(Br)ccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414166732 467385421 /nfs/dbraw/zinc/38/54/21/467385421.db2.gz RNDFVDFHYZFBLU-CYBMUJFWSA-N 1 2 327.222 2.343 20 30 EEEDLO CC(C)c1ncc(C[N@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cn1 ZINC000440456694 467569724 /nfs/dbraw/zinc/56/97/24/467569724.db2.gz CQJBRYHCRSTQOE-KDOFPFPSSA-N 1 2 331.464 2.475 20 30 EEEDLO CC(C)c1ncc(C[N@@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cn1 ZINC000440456694 467569727 /nfs/dbraw/zinc/56/97/27/467569727.db2.gz CQJBRYHCRSTQOE-KDOFPFPSSA-N 1 2 331.464 2.475 20 30 EEEDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000444783376 467583578 /nfs/dbraw/zinc/58/35/78/467583578.db2.gz STGBHPITLVFGLV-MSOLQXFVSA-N 1 2 337.464 2.239 20 30 EEEDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000444783376 467583579 /nfs/dbraw/zinc/58/35/79/467583579.db2.gz STGBHPITLVFGLV-MSOLQXFVSA-N 1 2 337.464 2.239 20 30 EEEDLO C=C[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000444958184 467583773 /nfs/dbraw/zinc/58/37/73/467583773.db2.gz KEABGBCFVWIYAG-CQSZACIVSA-N 1 2 330.432 2.047 20 30 EEEDLO C[C@H]1C[C@]1(C#N)C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000448621566 467596440 /nfs/dbraw/zinc/59/64/40/467596440.db2.gz LFKWIFUZOCANDJ-KBXCAEBGSA-N 1 2 347.846 2.413 20 30 EEEDLO C=C(C)CCNC(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000455324933 467664397 /nfs/dbraw/zinc/66/43/97/467664397.db2.gz MLWNRAYSEAOYJG-OAHLLOKOSA-N 1 2 335.452 2.340 20 30 EEEDLO C=C(C)CCNC(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000455324933 467664400 /nfs/dbraw/zinc/66/44/00/467664400.db2.gz MLWNRAYSEAOYJG-OAHLLOKOSA-N 1 2 335.452 2.340 20 30 EEEDLO CN(C)C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000492720777 467726674 /nfs/dbraw/zinc/72/66/74/467726674.db2.gz ISAFNGACNSLNRC-UHFFFAOYSA-N 1 2 339.237 2.024 20 30 EEEDLO CN(C)C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000492720777 467726679 /nfs/dbraw/zinc/72/66/79/467726679.db2.gz ISAFNGACNSLNRC-UHFFFAOYSA-N 1 2 339.237 2.024 20 30 EEEDLO N#Cc1cccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1Br ZINC000450171629 467792093 /nfs/dbraw/zinc/79/20/93/467792093.db2.gz CFVZNVRQZHKWJZ-SNVBAGLBSA-N 1 2 345.200 2.331 20 30 EEEDLO N#Cc1cccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1Br ZINC000450171629 467792097 /nfs/dbraw/zinc/79/20/97/467792097.db2.gz CFVZNVRQZHKWJZ-SNVBAGLBSA-N 1 2 345.200 2.331 20 30 EEEDLO C#CC[C@H]([NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC ZINC000497260739 467910568 /nfs/dbraw/zinc/91/05/68/467910568.db2.gz CICBNSQJRBREKU-KFWWJZLASA-N 1 2 338.448 2.319 20 30 EEEDLO C=CCN1CCN(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)C1=O ZINC000530108603 467951243 /nfs/dbraw/zinc/95/12/43/467951243.db2.gz PPYJCYNVNVBMCL-UHFFFAOYSA-N 1 2 339.443 2.171 20 30 EEEDLO C=C[C@@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000494219210 468038134 /nfs/dbraw/zinc/03/81/34/468038134.db2.gz IDWYMEIUXUELOY-MRXNPFEDSA-N 1 2 330.432 2.168 20 30 EEEDLO C=CCOc1cccc(NC(=O)NCC[N@@H+]2CCO[C@H](CC)C2)c1 ZINC000488350977 468082916 /nfs/dbraw/zinc/08/29/16/468082916.db2.gz PUAUGPMNPSIELK-MRXNPFEDSA-N 1 2 333.432 2.484 20 30 EEEDLO C=CCOc1cccc(NC(=O)NCC[N@H+]2CCO[C@H](CC)C2)c1 ZINC000488350977 468082918 /nfs/dbraw/zinc/08/29/18/468082918.db2.gz PUAUGPMNPSIELK-MRXNPFEDSA-N 1 2 333.432 2.484 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000488381630 468084069 /nfs/dbraw/zinc/08/40/69/468084069.db2.gz ARBSLPCTWKRPAR-HNNXBMFYSA-N 1 2 346.431 2.189 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000488381630 468084071 /nfs/dbraw/zinc/08/40/71/468084071.db2.gz ARBSLPCTWKRPAR-HNNXBMFYSA-N 1 2 346.431 2.189 20 30 EEEDLO C=C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1)c1ccccc1 ZINC000576029698 468157785 /nfs/dbraw/zinc/15/77/85/468157785.db2.gz XAHAXRDTJQYVNJ-DLBZAZTESA-N 1 2 344.455 2.348 20 30 EEEDLO C=C[C@H](CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1)c1ccccc1 ZINC000576029698 468157791 /nfs/dbraw/zinc/15/77/91/468157791.db2.gz XAHAXRDTJQYVNJ-DLBZAZTESA-N 1 2 344.455 2.348 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000576122034 468160917 /nfs/dbraw/zinc/16/09/17/468160917.db2.gz UPTNHASOFACOQR-UTUOFQBUSA-N 1 2 331.338 2.306 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000576557303 468168273 /nfs/dbraw/zinc/16/82/73/468168273.db2.gz XODIGDAGJKMZSL-WBVHZDCISA-N 1 2 328.416 2.378 20 30 EEEDLO CC(C)(NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1[nH]cc[nH+]1 ZINC000519714906 468199593 /nfs/dbraw/zinc/19/95/93/468199593.db2.gz ZIOFABFRODQWKW-ZDUSSCGKSA-N 1 2 341.390 2.298 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CS[C@H](C)c2ccccc2OC)CC1 ZINC000490760276 468248052 /nfs/dbraw/zinc/24/80/52/468248052.db2.gz KJQRCYMLMFPCNS-OAHLLOKOSA-N 1 2 332.469 2.267 20 30 EEEDLO N#Cc1cccc(/C=C\C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000490857234 468258164 /nfs/dbraw/zinc/25/81/64/468258164.db2.gz UAZNRTCVAOMMFO-ALCCZGGFSA-N 1 2 348.406 2.119 20 30 EEEDLO N#CCC1(O)C[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000582235849 468510567 /nfs/dbraw/zinc/51/05/67/468510567.db2.gz RNIFPONINLRFDA-HNNXBMFYSA-N 1 2 335.407 2.116 20 30 EEEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000594225627 468519374 /nfs/dbraw/zinc/51/93/74/468519374.db2.gz YEGWNBNZHYLTQD-KRWDZBQOSA-N 1 2 348.450 2.476 20 30 EEEDLO C[C@H]1C[C@@]1(C#N)C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000582341611 468525344 /nfs/dbraw/zinc/52/53/44/468525344.db2.gz BQSKGFDOTFHACX-NHYWBVRUSA-N 1 2 338.333 2.299 20 30 EEEDLO COCCN(CCC#N)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000591816229 468525779 /nfs/dbraw/zinc/52/57/79/468525779.db2.gz BEBKWZJXRKTFPM-MRXNPFEDSA-N 1 2 326.400 2.320 20 30 EEEDLO COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597500373 468577275 /nfs/dbraw/zinc/57/72/75/468577275.db2.gz HUSRFRUJTFYCPJ-ZIAGYGMSSA-N 1 2 340.383 2.059 20 30 EEEDLO Cc1ccc(-c2ccc(OCC[N@@H+]3CCNC(=O)C3)cc2)cc1C#N ZINC000600794615 468660066 /nfs/dbraw/zinc/66/00/66/468660066.db2.gz RPLVXZZXLOKZEI-UHFFFAOYSA-N 1 2 335.407 2.344 20 30 EEEDLO Cc1ccc(-c2ccc(OCC[N@H+]3CCNC(=O)C3)cc2)cc1C#N ZINC000600794615 468660073 /nfs/dbraw/zinc/66/00/73/468660073.db2.gz RPLVXZZXLOKZEI-UHFFFAOYSA-N 1 2 335.407 2.344 20 30 EEEDLO Cc1nn(C)c(N2CCN(c3cc4ccccc4c[nH+]3)CC2)c1C#N ZINC000601152909 468762227 /nfs/dbraw/zinc/76/22/27/468762227.db2.gz IYBCOUIQNLCNSW-UHFFFAOYSA-N 1 2 332.411 2.475 20 30 EEEDLO COc1cccc(CN(CCC#N)CC[NH+]2CCOCC2)c1Cl ZINC000595331602 468814710 /nfs/dbraw/zinc/81/47/10/468814710.db2.gz BCPPAIVQWLBKJX-UHFFFAOYSA-N 1 2 337.851 2.396 20 30 EEEDLO C[C@H]1CCN(S(=O)(=O)c2ccccc2CC#N)C[C@@H]1n1cc[nH+]c1 ZINC000601370462 468846142 /nfs/dbraw/zinc/84/61/42/468846142.db2.gz SFQWQNAGUZHYJC-HOCLYGCPSA-N 1 2 344.440 2.221 20 30 EEEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccccc2CC#N)C1 ZINC000601378518 468848862 /nfs/dbraw/zinc/84/88/62/468848862.db2.gz MHGJDTISNJTAQQ-KRWDZBQOSA-N 1 2 341.436 2.218 20 30 EEEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccccc2CC#N)C1 ZINC000601378518 468848865 /nfs/dbraw/zinc/84/88/65/468848865.db2.gz MHGJDTISNJTAQQ-KRWDZBQOSA-N 1 2 341.436 2.218 20 30 EEEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000595623132 468927597 /nfs/dbraw/zinc/92/75/97/468927597.db2.gz IPMWHFIKTBRVMO-LLVKDONJSA-N 1 2 327.837 2.113 20 30 EEEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000595623132 468927601 /nfs/dbraw/zinc/92/76/01/468927601.db2.gz IPMWHFIKTBRVMO-LLVKDONJSA-N 1 2 327.837 2.113 20 30 EEEDLO N#Cc1sccc1N1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000595629512 468930433 /nfs/dbraw/zinc/93/04/33/468930433.db2.gz FBMOUXWJSWUZBR-OFQRWUPVSA-N 1 2 344.484 2.189 20 30 EEEDLO C[C@H]1CCCN(C(=O)C[NH+]2CCN(c3ccsc3C#N)CC2)C1 ZINC000595632395 468931714 /nfs/dbraw/zinc/93/17/14/468931714.db2.gz FTWSKVRGRLSNJS-AWEZNQCLSA-N 1 2 332.473 2.000 20 30 EEEDLO N#CCc1ccccc1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601727558 468989337 /nfs/dbraw/zinc/98/93/37/468989337.db2.gz FZFLTHWWSRGFJT-UHFFFAOYSA-N 1 2 335.407 2.416 20 30 EEEDLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)c1cccc(C#N)c1 ZINC000588151793 469122406 /nfs/dbraw/zinc/12/24/06/469122406.db2.gz WLSURIUMLSODGH-RVKKMQEKSA-N 1 2 342.443 2.124 20 30 EEEDLO C[C@@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)C[C@H](c2nc(C3CC3)no2)O1 ZINC000599609011 469308161 /nfs/dbraw/zinc/30/81/61/469308161.db2.gz AOQGVAFGFOUKNE-KWCYVHTRSA-N 1 2 334.420 2.010 20 30 EEEDLO C[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C[C@H](c2nc(C3CC3)no2)O1 ZINC000599609011 469308167 /nfs/dbraw/zinc/30/81/67/469308167.db2.gz AOQGVAFGFOUKNE-KWCYVHTRSA-N 1 2 334.420 2.010 20 30 EEEDLO CCn1ccc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000616785249 469502154 /nfs/dbraw/zinc/50/21/54/469502154.db2.gz HCJFOMGRJXSOGY-UHFFFAOYSA-N 1 2 331.441 2.285 20 30 EEEDLO CCn1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000616785249 469502158 /nfs/dbraw/zinc/50/21/58/469502158.db2.gz HCJFOMGRJXSOGY-UHFFFAOYSA-N 1 2 331.441 2.285 20 30 EEEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000619367365 469591567 /nfs/dbraw/zinc/59/15/67/469591567.db2.gz YLIMRECFKLSTSY-ZWKOTPCHSA-N 1 2 333.395 2.301 20 30 EEEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)NCC2(C#N)CC2)CC1 ZINC000619533642 469633531 /nfs/dbraw/zinc/63/35/31/469633531.db2.gz SBYISDUAWXSJRK-UHFFFAOYSA-N 1 2 342.443 2.135 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000619719287 469669730 /nfs/dbraw/zinc/66/97/30/469669730.db2.gz JXMUMVBXVSRYSA-BBRMVZONSA-N 1 2 349.406 2.387 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000619719287 469669733 /nfs/dbraw/zinc/66/97/33/469669733.db2.gz JXMUMVBXVSRYSA-BBRMVZONSA-N 1 2 349.406 2.387 20 30 EEEDLO C[C@@H]1COCC[N@@H+]1CCNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000610276043 469998636 /nfs/dbraw/zinc/99/86/36/469998636.db2.gz CCJAKSXIXYLWRO-GFCCVEGCSA-N 1 2 330.819 2.314 20 30 EEEDLO C[C@@H]1COCC[N@H+]1CCNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000610276043 469998638 /nfs/dbraw/zinc/99/86/38/469998638.db2.gz CCJAKSXIXYLWRO-GFCCVEGCSA-N 1 2 330.819 2.314 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(OCC(F)(F)F)cc2)nn1 ZINC000640960772 471139385 /nfs/dbraw/zinc/13/93/85/471139385.db2.gz RWGVDNIGZVQVEZ-UHFFFAOYSA-N 1 2 338.333 2.380 20 30 EEEDLO C=C(CNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO)c1ccccc1 ZINC000664898556 471891182 /nfs/dbraw/zinc/89/11/82/471891182.db2.gz AMKLSWZDUPYJJV-INIZCTEOSA-N 1 2 342.443 2.492 20 30 EEEDLO CC#CCCNC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000681538294 486267755 /nfs/dbraw/zinc/26/77/55/486267755.db2.gz CKZMYFJOHAKXNQ-UHFFFAOYSA-N 1 2 329.444 2.244 20 30 EEEDLO CC(C)(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000265060286 534408148 /nfs/dbraw/zinc/40/81/48/534408148.db2.gz QQFBVCQONOPLRR-UHFFFAOYSA-N 1 2 327.428 2.208 20 30 EEEDLO CC(C)(C)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000265060286 534408154 /nfs/dbraw/zinc/40/81/54/534408154.db2.gz QQFBVCQONOPLRR-UHFFFAOYSA-N 1 2 327.428 2.208 20 30 EEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000191127368 526300113 /nfs/dbraw/zinc/30/01/13/526300113.db2.gz AKDDDJXDJJDDPX-UHFFFAOYSA-N 1 2 328.315 2.081 20 30 EEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000191127368 526300117 /nfs/dbraw/zinc/30/01/17/526300117.db2.gz AKDDDJXDJJDDPX-UHFFFAOYSA-N 1 2 328.315 2.081 20 30 EEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1nc2c(cccc2OC)s1 ZINC000191111837 526300493 /nfs/dbraw/zinc/30/04/93/526300493.db2.gz MBUUARFLVJKQLI-UHFFFAOYSA-N 1 2 335.429 2.378 20 30 EEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1nc2c(cccc2OC)s1 ZINC000191111837 526300498 /nfs/dbraw/zinc/30/04/98/526300498.db2.gz MBUUARFLVJKQLI-UHFFFAOYSA-N 1 2 335.429 2.378 20 30 EEEDLO C=CC[N@@H+](C[C@H](O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000108871112 526330952 /nfs/dbraw/zinc/33/09/52/526330952.db2.gz GAYLJQIRNMLTEY-DOMZBBRYSA-N 1 2 329.849 2.049 20 30 EEEDLO C=CC[N@H+](C[C@H](O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000108871112 526330956 /nfs/dbraw/zinc/33/09/56/526330956.db2.gz GAYLJQIRNMLTEY-DOMZBBRYSA-N 1 2 329.849 2.049 20 30 EEEDLO CC(C)(C)Oc1ccc(NC(=O)NCC[NH+]2CCOCC2)cc1C#N ZINC000455794532 535012350 /nfs/dbraw/zinc/01/23/50/535012350.db2.gz NHKYAVFMJUQFDZ-UHFFFAOYSA-N 1 2 346.431 2.189 20 30 EEEDLO CN1CC[C@@H]([N@H+](C)CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)C1=O ZINC000738333204 578009911 /nfs/dbraw/zinc/00/99/11/578009911.db2.gz SDOQCUWSLNZSEI-ZCWPUFOUSA-N 1 2 341.455 2.030 20 30 EEEDLO CN1CC[C@@H]([N@@H+](C)CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)C1=O ZINC000738333204 578009912 /nfs/dbraw/zinc/00/99/12/578009912.db2.gz SDOQCUWSLNZSEI-ZCWPUFOUSA-N 1 2 341.455 2.030 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)OCC(C)C)CC1 ZINC000725801997 576033261 /nfs/dbraw/zinc/03/32/61/576033261.db2.gz MGEOPDBZCWFEDT-UHFFFAOYSA-N 1 2 339.480 2.211 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C(=O)OCC(C)C)CC1 ZINC000725801997 576033263 /nfs/dbraw/zinc/03/32/63/576033263.db2.gz MGEOPDBZCWFEDT-UHFFFAOYSA-N 1 2 339.480 2.211 20 30 EEEDLO C#Cc1ccc(C(=O)NC2CC[NH+](c3ccc(OC)cc3)CC2)cn1 ZINC000728865376 576550615 /nfs/dbraw/zinc/55/06/15/576550615.db2.gz RKAVIZFRGHIZPQ-UHFFFAOYSA-N 1 2 335.407 2.470 20 30 EEEDLO N#Cc1ccc(NCCNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)nc1 ZINC000730114537 576718592 /nfs/dbraw/zinc/71/85/92/576718592.db2.gz AAHNKXQFMGCTFT-AWEZNQCLSA-N 1 2 339.403 2.025 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)NCC=C)cc1 ZINC000730275016 577014573 /nfs/dbraw/zinc/01/45/73/577014573.db2.gz OVXBAPLSMHPQEM-INIZCTEOSA-N 1 2 326.400 2.030 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)NCC=C)cc1 ZINC000730275016 577014575 /nfs/dbraw/zinc/01/45/75/577014575.db2.gz OVXBAPLSMHPQEM-INIZCTEOSA-N 1 2 326.400 2.030 20 30 EEEDLO C#CCCCCC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000773304493 577331552 /nfs/dbraw/zinc/33/15/52/577331552.db2.gz VSRNJKGASQRVNX-UHFFFAOYSA-N 1 2 347.503 2.021 20 30 EEEDLO COc1ccc(C(=O)NC(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000775335268 577435225 /nfs/dbraw/zinc/43/52/25/577435225.db2.gz GVMQRLXLEUPRNS-ZDUSSCGKSA-N 1 2 337.379 2.174 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2NC(C)(C)C)CC1 ZINC000766117750 577513384 /nfs/dbraw/zinc/51/33/84/577513384.db2.gz SDAZGOQNEPDWDC-UHFFFAOYSA-N 1 2 328.460 2.086 20 30 EEEDLO C[S@@](=O)CC[NH+]1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000771142929 577610502 /nfs/dbraw/zinc/61/05/02/577610502.db2.gz BTZAZIPLHITUQW-HSZRJFAPSA-N 1 2 345.390 2.078 20 30 EEEDLO O=[N+]([O-])c1ccc(C=NNc2ccc(-n3cc[nH+]c3)nn2)c(F)c1 ZINC000761833422 577689732 /nfs/dbraw/zinc/68/97/32/577689732.db2.gz COUDQVPLQIHJSH-UHFFFAOYSA-N 1 2 327.279 2.156 20 30 EEEDLO Cc1csc2nc(C)c(C=NNc3ccc(-n4cc[nH+]c4)nn3)n12 ZINC000761846558 577690031 /nfs/dbraw/zinc/69/00/31/577690031.db2.gz ONOTVFUUEZKLEK-UHFFFAOYSA-N 1 2 338.400 2.434 20 30 EEEDLO c1cn(-c2ccc(N=NCc3cnn(-c4ccccc4)c3)nn2)c[nH+]1 ZINC000761861033 577690337 /nfs/dbraw/zinc/69/03/37/577690337.db2.gz TUKLYHKJWFCJHR-UHFFFAOYSA-N 1 2 330.355 2.294 20 30 EEEDLO C(=NNc1ccc(-n2cc[nH+]c2)nn1)c1cnn(-c2ccccc2)c1 ZINC000761861033 577690338 /nfs/dbraw/zinc/69/03/38/577690338.db2.gz TUKLYHKJWFCJHR-UHFFFAOYSA-N 1 2 330.355 2.294 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 ZINC000744422279 577897447 /nfs/dbraw/zinc/89/74/47/577897447.db2.gz KRXGCYTWRFMSCF-UHFFFAOYSA-N 1 2 334.423 2.141 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1 ZINC000736233905 578188933 /nfs/dbraw/zinc/18/89/33/578188933.db2.gz ZZSXICWNNYAWLW-KRWDZBQOSA-N 1 2 326.375 2.356 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1 ZINC000736233905 578188934 /nfs/dbraw/zinc/18/89/34/578188934.db2.gz ZZSXICWNNYAWLW-KRWDZBQOSA-N 1 2 326.375 2.356 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CCO2)c1 ZINC000826386358 608066863 /nfs/dbraw/zinc/06/68/63/608066863.db2.gz ASGGXLXJKQIJCW-GOSISDBHSA-N 1 2 346.394 2.312 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)CCO2)c1 ZINC000826386358 608066864 /nfs/dbraw/zinc/06/68/64/608066864.db2.gz ASGGXLXJKQIJCW-GOSISDBHSA-N 1 2 346.394 2.312 20 30 EEEDLO CC1(C#N)CC[NH+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)CC1 ZINC000824779115 609539957 /nfs/dbraw/zinc/53/99/57/609539957.db2.gz SQEGNFZSPGGQOB-UHFFFAOYSA-N 1 2 348.414 2.313 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000969428808 675002482 /nfs/dbraw/zinc/00/24/82/675002482.db2.gz UFJIMOCCOJIMNI-OKILXGFUSA-N 1 2 344.459 2.101 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)s2)[C@H]1CC ZINC001087759810 782191217 /nfs/dbraw/zinc/19/12/17/782191217.db2.gz DAVOIKXBWBDWDF-WDEREUQCSA-N 1 2 341.864 2.182 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)s2)[C@H]1CC ZINC001087759810 782191221 /nfs/dbraw/zinc/19/12/21/782191221.db2.gz DAVOIKXBWBDWDF-WDEREUQCSA-N 1 2 341.864 2.182 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2csc(NC(C)=O)n2)C1 ZINC000969585057 675117103 /nfs/dbraw/zinc/11/71/03/675117103.db2.gz RDDVMBHVUFEIQH-GFCCVEGCSA-N 1 2 336.461 2.004 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2nc(C)c(C)o2)C1 ZINC000969685614 675167493 /nfs/dbraw/zinc/16/74/93/675167493.db2.gz YEDSOMQEVBIDHM-XKQJLSEDSA-N 1 2 347.459 2.209 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc3nccnc3c2)C1 ZINC000970851070 676198492 /nfs/dbraw/zinc/19/84/92/676198492.db2.gz JALNPZZGGUPPEN-LBPRGKRZSA-N 1 2 330.819 2.432 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C4CC4)o3)C2)CC1 ZINC000969830887 675236036 /nfs/dbraw/zinc/23/60/36/675236036.db2.gz VADJLYICPHMGLD-OAHLLOKOSA-N 1 2 330.432 2.384 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnc3ccc(C)cn32)C1 ZINC000970148008 675583480 /nfs/dbraw/zinc/58/34/80/675583480.db2.gz BNUWUFXINBTKFP-ZDUSSCGKSA-N 1 2 332.835 2.445 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(-n3cccn3)nc2)C1 ZINC000970245304 675739733 /nfs/dbraw/zinc/73/97/33/675739733.db2.gz QZXMYMQZQILEAG-CYBMUJFWSA-N 1 2 345.834 2.070 20 30 EEEDLO CCC(CC)n1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC000971220815 676446565 /nfs/dbraw/zinc/44/65/65/676446565.db2.gz KSJFZDFQISXGIJ-PBHICJAKSA-N 1 2 331.464 2.437 20 30 EEEDLO CCC(CC)n1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC000971220815 676446566 /nfs/dbraw/zinc/44/65/66/676446566.db2.gz KSJFZDFQISXGIJ-PBHICJAKSA-N 1 2 331.464 2.437 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000971444710 676557213 /nfs/dbraw/zinc/55/72/13/676557213.db2.gz FPHNSYDPONONES-VWYCJHECSA-N 1 2 337.208 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EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3csc(C(C)C)n3)C2)C1 ZINC000972598237 679398705 /nfs/dbraw/zinc/39/87/05/679398705.db2.gz CDBMMBALXXVNME-SFHVURJKSA-N 1 2 347.484 2.207 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3csc(C(C)C)n3)C2)C1 ZINC000972598237 679398706 /nfs/dbraw/zinc/39/87/06/679398706.db2.gz CDBMMBALXXVNME-SFHVURJKSA-N 1 2 347.484 2.207 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3occ4c3CCCC4)C2)C1 ZINC000972654468 679517262 /nfs/dbraw/zinc/51/72/62/679517262.db2.gz PUJOIPNFFQJCSD-LJQANCHMSA-N 1 2 330.428 2.261 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3occ4c3CCCC4)C2)C1 ZINC000972654468 679517265 /nfs/dbraw/zinc/51/72/65/679517265.db2.gz PUJOIPNFFQJCSD-LJQANCHMSA-N 1 2 330.428 2.261 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCC(C)=C(C)C3)C2)C1 ZINC000972697411 679625105 /nfs/dbraw/zinc/62/51/05/679625105.db2.gz WKPOPPUZDDTXIZ-WOJBJXKFSA-N 1 2 330.472 2.450 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCC(C)=C(C)C3)C2)C1 ZINC000972697411 679625109 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/nfs/dbraw/zinc/81/46/49/681814649.db2.gz QVZYCUZRLYALCF-CQSZACIVSA-N 1 2 348.495 2.111 20 30 EEEDLO Cc1nc(C[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)c(C)o1 ZINC000973007590 681833570 /nfs/dbraw/zinc/83/35/70/681833570.db2.gz AFYJUCFXBNKNNE-MRXNPFEDSA-N 1 2 341.415 2.132 20 30 EEEDLO Cc1nc(C[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)c(C)o1 ZINC000973007590 681833578 /nfs/dbraw/zinc/83/35/78/681833578.db2.gz AFYJUCFXBNKNNE-MRXNPFEDSA-N 1 2 341.415 2.132 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3nnc(C)n3CC)C2)CC1 ZINC001028779854 682209379 /nfs/dbraw/zinc/20/93/79/682209379.db2.gz AJXJANPQEZEBEI-INIZCTEOSA-N 1 2 345.491 2.291 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3nnc(C)n3CC)C2)CC1 ZINC001028779854 682209382 /nfs/dbraw/zinc/20/93/82/682209382.db2.gz AJXJANPQEZEBEI-INIZCTEOSA-N 1 2 345.491 2.291 20 30 EEEDLO Cc1nnc(C[N@@H+]2CCC[C@H]2[C@H]2CCCCN2C(=O)C#CC2CC2)o1 ZINC001025229142 682260053 /nfs/dbraw/zinc/26/00/53/682260053.db2.gz GORAUYDFPHMVPD-DLBZAZTESA-N 1 2 342.443 2.137 20 30 EEEDLO Cc1nnc(C[N@H+]2CCC[C@H]2[C@H]2CCCCN2C(=O)C#CC2CC2)o1 ZINC001025229142 682260057 /nfs/dbraw/zinc/26/00/57/682260057.db2.gz GORAUYDFPHMVPD-DLBZAZTESA-N 1 2 342.443 2.137 20 30 EEEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000914206115 683367158 /nfs/dbraw/zinc/36/71/58/683367158.db2.gz IGLARBLLJQCVRQ-RHSMWYFYSA-N 1 2 330.432 2.029 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2ccn[nH]2)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000993059083 683817168 /nfs/dbraw/zinc/81/71/68/683817168.db2.gz ALAMNRWMSYVFOY-MLGOLLRUSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2ccn[nH]2)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000993059083 683817177 /nfs/dbraw/zinc/81/71/77/683817177.db2.gz ALAMNRWMSYVFOY-MLGOLLRUSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cocn2)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000993109670 683933881 /nfs/dbraw/zinc/93/38/81/683933881.db2.gz QERVOAAOTUDYDF-BLLLJJGKSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cocn2)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000993109670 683933885 /nfs/dbraw/zinc/93/38/85/683933885.db2.gz QERVOAAOTUDYDF-BLLLJJGKSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cnsn2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993115619 683942487 /nfs/dbraw/zinc/94/24/87/683942487.db2.gz PNJHAMHWNYNDRH-GXFFZTMASA-N 1 2 347.469 2.254 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cnsn2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993115619 683942490 /nfs/dbraw/zinc/94/24/90/683942490.db2.gz PNJHAMHWNYNDRH-GXFFZTMASA-N 1 2 347.469 2.254 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)no1 ZINC001029338134 684033545 /nfs/dbraw/zinc/03/35/45/684033545.db2.gz SOSWKTYJPQMNHZ-IYBDPMFKSA-N 1 2 340.427 2.460 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)no1 ZINC001029338134 684033549 /nfs/dbraw/zinc/03/35/49/684033549.db2.gz SOSWKTYJPQMNHZ-IYBDPMFKSA-N 1 2 340.427 2.460 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CCCO1 ZINC001006657123 684703880 /nfs/dbraw/zinc/70/38/80/684703880.db2.gz MDNWOAHOYHJBLP-ROUUACIJSA-N 1 2 346.858 2.451 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CCCO1 ZINC001006657123 684703882 /nfs/dbraw/zinc/70/38/82/684703882.db2.gz MDNWOAHOYHJBLP-ROUUACIJSA-N 1 2 346.858 2.451 20 30 EEEDLO Cc1cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001058734534 685024978 /nfs/dbraw/zinc/02/49/78/685024978.db2.gz WIHRCBKWOLCHAU-DFBGVHRSSA-N 1 2 325.416 2.002 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@H]2C[C@H](Nc3nccnc3C#N)C2)c(C)[nH+]1 ZINC001059477441 685668639 /nfs/dbraw/zinc/66/86/39/685668639.db2.gz PJRJPOUHLFWSKO-HDJSIYSDSA-N 1 2 336.399 2.041 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC000975983560 687239530 /nfs/dbraw/zinc/23/95/30/687239530.db2.gz KWXOMQFNMAXLAG-QOKNQOGYSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3n[nH]c4ccccc43)[C@@H]2C1 ZINC000979030165 694125376 /nfs/dbraw/zinc/12/53/76/694125376.db2.gz XQVJPEAXWIXAHJ-ZSOGYDGISA-N 1 2 330.819 2.223 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3n[nH]c4ccccc43)[C@@H]2C1 ZINC000979030165 694125378 /nfs/dbraw/zinc/12/53/78/694125378.db2.gz XQVJPEAXWIXAHJ-ZSOGYDGISA-N 1 2 330.819 2.223 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)oc1C ZINC001027354934 687667660 /nfs/dbraw/zinc/66/76/60/687667660.db2.gz NEXJGUFKKFIFQS-HNNXBMFYSA-N 1 2 341.415 2.228 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)oc1C ZINC001027354934 687667666 /nfs/dbraw/zinc/66/76/66/687667666.db2.gz NEXJGUFKKFIFQS-HNNXBMFYSA-N 1 2 341.415 2.228 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC000976897746 688167459 /nfs/dbraw/zinc/16/74/59/688167459.db2.gz KHCGKYMMYXUFRK-IAGOWNOFSA-N 1 2 344.459 2.173 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059819541 689930383 /nfs/dbraw/zinc/93/03/83/689930383.db2.gz KWEVGISDQJERIV-HZPDHXFCSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059819541 689930387 /nfs/dbraw/zinc/93/03/87/689930387.db2.gz KWEVGISDQJERIV-HZPDHXFCSA-N 1 2 346.475 2.299 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@@H]([NH2+]Cc2nnc(CC)o2)C[C@H]1C ZINC000988971172 691337254 /nfs/dbraw/zinc/33/72/54/691337254.db2.gz ZVUPTTJGRHIVBF-KGLIPLIRSA-N 1 2 343.431 2.012 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2c(C)nn(CC)c2C)CC1 ZINC000989497790 691984800 /nfs/dbraw/zinc/98/48/00/691984800.db2.gz BTDYKUAMPOPGBT-UHFFFAOYSA-N 1 2 338.883 2.349 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2c(C)nn(CC)c2C)CC1 ZINC000989497790 691984802 /nfs/dbraw/zinc/98/48/02/691984802.db2.gz BTDYKUAMPOPGBT-UHFFFAOYSA-N 1 2 338.883 2.349 20 30 EEEDLO CCc1nc[nH]c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000989577778 692054012 /nfs/dbraw/zinc/05/40/12/692054012.db2.gz KOOIWWGPVSJBOP-UHFFFAOYSA-N 1 2 343.456 2.253 20 30 EEEDLO CCc1nc[nH]c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000989577778 692054013 /nfs/dbraw/zinc/05/40/13/692054013.db2.gz KOOIWWGPVSJBOP-UHFFFAOYSA-N 1 2 343.456 2.253 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001060002706 692504887 /nfs/dbraw/zinc/50/48/87/692504887.db2.gz YFYGHDFXPALGQG-MRXNPFEDSA-N 1 2 346.475 2.230 20 30 EEEDLO Cc1cc(NC[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001060002950 692515696 /nfs/dbraw/zinc/51/56/96/692515696.db2.gz GVSLMFXNNBGLAS-TZMCWYRMSA-N 1 2 327.432 2.473 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@]23CCC[C@H]2[N@H+](Cc2nccs2)CC3)[nH]1 ZINC000990275773 692801025 /nfs/dbraw/zinc/80/10/25/692801025.db2.gz IZTPADXRJXDKFE-RHSMWYFYSA-N 1 2 341.440 2.270 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](Cc2nccs2)CC3)[nH]1 ZINC000990275773 692801032 /nfs/dbraw/zinc/80/10/32/692801032.db2.gz IZTPADXRJXDKFE-RHSMWYFYSA-N 1 2 341.440 2.270 20 30 EEEDLO N#Cc1ccc(C(=O)NCC2[C@H]3C[N@H+](C/C(Cl)=C\Cl)C[C@@H]23)[nH]1 ZINC000978020035 693238910 /nfs/dbraw/zinc/23/89/10/693238910.db2.gz KVNJPVZCFCPXCF-HKBKWZNFSA-N 1 2 339.226 2.113 20 30 EEEDLO N#Cc1ccc(C(=O)NCC2[C@H]3C[N@@H+](C/C(Cl)=C\Cl)C[C@@H]23)[nH]1 ZINC000978020035 693238913 /nfs/dbraw/zinc/23/89/13/693238913.db2.gz KVNJPVZCFCPXCF-HKBKWZNFSA-N 1 2 339.226 2.113 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000978378813 693547913 /nfs/dbraw/zinc/54/79/13/693547913.db2.gz KQVFHERIAITHRE-ZIAGYGMSSA-N 1 2 344.459 2.101 20 30 EEEDLO C[C@H]1OCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001032077091 1192209723 /nfs/dbraw/zinc/20/97/23/1192209723.db2.gz VHUZRKPMDKWFOM-RDTXWAMCSA-N 1 2 346.858 2.165 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000943386011 1192239311 /nfs/dbraw/zinc/23/93/11/1192239311.db2.gz XJKNJZDGUJKKDW-BEFAXECRSA-N 1 2 346.475 2.062 20 30 EEEDLO C=CCCCC(=O)NCC1(COC)CCN(c2cc[nH+]c(C)n2)CC1 ZINC001089876605 1192602911 /nfs/dbraw/zinc/60/29/11/1192602911.db2.gz PGJSIYPGCPMMGG-UHFFFAOYSA-N 1 2 346.475 2.491 20 30 EEEDLO Cc1ncoc1C(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001481163750 1179962779 /nfs/dbraw/zinc/96/27/79/1179962779.db2.gz WGISYHKNUSNHOX-UHFFFAOYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ncoc1C(=O)NCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001481163750 1179962783 /nfs/dbraw/zinc/96/27/83/1179962783.db2.gz WGISYHKNUSNHOX-UHFFFAOYSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ccc(OC)nn2)C1 ZINC001481409842 1181243859 /nfs/dbraw/zinc/24/38/59/1181243859.db2.gz UNIIFWUJTMIKOP-ZDUSSCGKSA-N 1 2 338.839 2.164 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccc(OC)nn2)C1 ZINC001481409842 1181243865 /nfs/dbraw/zinc/24/38/65/1181243865.db2.gz UNIIFWUJTMIKOP-ZDUSSCGKSA-N 1 2 338.839 2.164 20 30 EEEDLO C=CC[C@H](C)C(=O)N1CC[C@H]2C[C@]21C(=O)Nc1cccc2[nH+]ccn21 ZINC001268907726 1183809659 /nfs/dbraw/zinc/80/96/59/1183809659.db2.gz RRQMGWFGGRQTSF-CKFHNAJUSA-N 1 2 338.411 2.476 20 30 EEEDLO CCCCCCCC(=O)N1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001269075251 1183936956 /nfs/dbraw/zinc/93/69/56/1183936956.db2.gz JHWSIZPHYIJONM-HDICACEKSA-N 1 2 348.491 2.155 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC000944962389 1193282652 /nfs/dbraw/zinc/28/26/52/1193282652.db2.gz ZXXNVPWVDXXZBS-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC000944962389 1193282654 /nfs/dbraw/zinc/28/26/54/1193282654.db2.gz ZXXNVPWVDXXZBS-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO C=C1CC(C(=O)N2CCC[C@@]3(C2)C[N@H+](Cc2ccc[nH]2)CCO3)C1 ZINC001270590427 1185188325 /nfs/dbraw/zinc/18/83/25/1185188325.db2.gz OPUXQAGLYOLSTR-IBGZPJMESA-N 1 2 329.444 2.174 20 30 EEEDLO C=C1CC(C(=O)N2CCC[C@@]3(C2)C[N@@H+](Cc2ccc[nH]2)CCO3)C1 ZINC001270590427 1185188331 /nfs/dbraw/zinc/18/83/31/1185188331.db2.gz OPUXQAGLYOLSTR-IBGZPJMESA-N 1 2 329.444 2.174 20 30 EEEDLO Cc1ccnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C#N)n(C)c2)c1 ZINC001271135544 1185953004 /nfs/dbraw/zinc/95/30/04/1185953004.db2.gz AGCGQULASMIABQ-CALCHBBNSA-N 1 2 349.438 2.089 20 30 EEEDLO Cc1ccnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C#N)n(C)c2)c1 ZINC001271135544 1185953005 /nfs/dbraw/zinc/95/30/05/1185953005.db2.gz AGCGQULASMIABQ-CALCHBBNSA-N 1 2 349.438 2.089 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2c(C)noc2Cl)C1 ZINC001409930983 1193460271 /nfs/dbraw/zinc/46/02/71/1193460271.db2.gz VIGYXBZKOVYSOV-VIFPVBQESA-N 1 2 332.231 2.368 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccccc1-n1ccnn1 ZINC001482653777 1187485750 /nfs/dbraw/zinc/48/57/50/1187485750.db2.gz SEWRYTLVQNTUBR-UHFFFAOYSA-N 1 2 333.823 2.024 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccccc1-n1ccnn1 ZINC001482653777 1187485751 /nfs/dbraw/zinc/48/57/51/1187485751.db2.gz SEWRYTLVQNTUBR-UHFFFAOYSA-N 1 2 333.823 2.024 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cn(CC)nn4)C[C@H]32)CC1 ZINC001076209087 1188783019 /nfs/dbraw/zinc/78/30/19/1188783019.db2.gz YLLRZPTWVVMCOI-FUHWJXTLSA-N 1 2 343.475 2.077 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cn(CC)nn4)C[C@H]32)CC1 ZINC001076209087 1188783023 /nfs/dbraw/zinc/78/30/23/1188783023.db2.gz YLLRZPTWVVMCOI-FUHWJXTLSA-N 1 2 343.475 2.077 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3occc3C)CC2)C1 ZINC001105686089 1189291231 /nfs/dbraw/zinc/29/12/31/1189291231.db2.gz OFYAAUIDRPZJOA-UHFFFAOYSA-N 1 2 348.443 2.096 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001077116075 1189341477 /nfs/dbraw/zinc/34/14/77/1189341477.db2.gz HLQXQEXSJOVOFM-GJZGRUSLSA-N 1 2 346.475 2.059 20 30 EEEDLO C[C@@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)NC(=O)C#CC(C)(C)C ZINC001077247308 1189423986 /nfs/dbraw/zinc/42/39/86/1189423986.db2.gz LGNAVLCZYPEOKC-ZDUSSCGKSA-N 1 2 340.427 2.237 20 30 EEEDLO C[C@H]1CCC[C@@H](C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)C1 ZINC001272287861 1190744110 /nfs/dbraw/zinc/74/41/10/1190744110.db2.gz RBFSDSUXPSOMMD-DOTOQJQBSA-N 1 2 340.471 2.367 20 30 EEEDLO CC[C@H](C)N1C[C@@]2(CC[N@H+](Cc3ccc(F)cc3C#N)C2)OCC1=O ZINC001272386654 1190796217 /nfs/dbraw/zinc/79/62/17/1190796217.db2.gz LEKJMACPJBZTNS-LIRRHRJNSA-N 1 2 345.418 2.299 20 30 EEEDLO CC[C@H](C)N1C[C@@]2(CC[N@@H+](Cc3ccc(F)cc3C#N)C2)OCC1=O ZINC001272386654 1190796218 /nfs/dbraw/zinc/79/62/18/1190796218.db2.gz LEKJMACPJBZTNS-LIRRHRJNSA-N 1 2 345.418 2.299 20 30 EEEDLO CCCCCCCC[NH+]1CC2(C1)CN(Cc1cnoc1)C(=O)CO2 ZINC001272479152 1190843853 /nfs/dbraw/zinc/84/38/53/1190843853.db2.gz XXQDFVGKKLTKPZ-UHFFFAOYSA-N 1 2 335.448 2.448 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cc(F)c(C#N)c(F)c2)C1=O ZINC001272660795 1190978047 /nfs/dbraw/zinc/97/80/47/1190978047.db2.gz WLFJSSMTNDOBNK-GOSISDBHSA-N 1 2 329.350 2.037 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)c(C#N)c(F)c2)C1=O ZINC001272660795 1190978049 /nfs/dbraw/zinc/97/80/49/1190978049.db2.gz WLFJSSMTNDOBNK-GOSISDBHSA-N 1 2 329.350 2.037 20 30 EEEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc(OC(C)C)cc1)C2 ZINC001273008993 1194316358 /nfs/dbraw/zinc/31/63/58/1194316358.db2.gz XJWZKZTUDHJUAS-UHFFFAOYSA-N 1 2 344.455 2.463 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]nc2[C@H]2CCCO2)C1 ZINC001033364414 1194478441 /nfs/dbraw/zinc/47/84/41/1194478441.db2.gz FGQZACUESVHLIT-GXTWGEPZSA-N 1 2 338.839 2.160 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]nc2[C@H]2CCCO2)C1 ZINC001033364414 1194478442 /nfs/dbraw/zinc/47/84/42/1194478442.db2.gz FGQZACUESVHLIT-GXTWGEPZSA-N 1 2 338.839 2.160 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cc4n(n3)CCC4)C2)C1 ZINC001033398883 1194514711 /nfs/dbraw/zinc/51/47/11/1194514711.db2.gz LIKXISMDYCMAOQ-QGZVFWFLSA-N 1 2 328.460 2.218 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cc4n(n3)CCC4)C2)C1 ZINC001033398883 1194514713 /nfs/dbraw/zinc/51/47/13/1194514713.db2.gz LIKXISMDYCMAOQ-QGZVFWFLSA-N 1 2 328.460 2.218 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001033593649 1194923264 /nfs/dbraw/zinc/92/32/64/1194923264.db2.gz COMKCYWVKPLYOM-INIZCTEOSA-N 1 2 349.862 2.287 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001033593649 1194923266 /nfs/dbraw/zinc/92/32/66/1194923266.db2.gz COMKCYWVKPLYOM-INIZCTEOSA-N 1 2 349.862 2.287 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001033801180 1195301988 /nfs/dbraw/zinc/30/19/88/1195301988.db2.gz KAPLPIAOXWAMLD-HNNXBMFYSA-N 1 2 341.415 2.228 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001033801180 1195301992 /nfs/dbraw/zinc/30/19/92/1195301992.db2.gz KAPLPIAOXWAMLD-HNNXBMFYSA-N 1 2 341.415 2.228 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ccon2)CC1 ZINC001005406545 1195386027 /nfs/dbraw/zinc/38/60/27/1195386027.db2.gz OIKWIESJLJWIFI-SJORKVTESA-N 1 2 333.432 2.079 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC001108108274 1195448770 /nfs/dbraw/zinc/44/87/70/1195448770.db2.gz RRHKBTGPPRXJFD-OAHLLOKOSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC001108108274 1195448772 /nfs/dbraw/zinc/44/87/72/1195448772.db2.gz RRHKBTGPPRXJFD-OAHLLOKOSA-N 1 2 343.349 2.107 20 30 EEEDLO C[C@@H](CCCCNc1ncccc1C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC001090168477 1195536998 /nfs/dbraw/zinc/53/69/98/1195536998.db2.gz DKXJYLOXVFFCQA-AWEZNQCLSA-N 1 2 340.431 2.396 20 30 EEEDLO C[C@@H](CCCCNc1ncccc1C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC001090168477 1195537001 /nfs/dbraw/zinc/53/70/01/1195537001.db2.gz DKXJYLOXVFFCQA-AWEZNQCLSA-N 1 2 340.431 2.396 20 30 EEEDLO CCN(C(=O)c1ccnnc1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033964750 1195590610 /nfs/dbraw/zinc/59/06/10/1195590610.db2.gz MGLUBBSJNMEYLO-SFHVURJKSA-N 1 2 335.411 2.085 20 30 EEEDLO CCN(C(=O)c1ccnnc1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033964750 1195590614 /nfs/dbraw/zinc/59/06/14/1195590614.db2.gz MGLUBBSJNMEYLO-SFHVURJKSA-N 1 2 335.411 2.085 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(N(C)C)ccn2)C1 ZINC001034050501 1195704432 /nfs/dbraw/zinc/70/44/32/1195704432.db2.gz AUWMSMFFRJZBJO-OAHLLOKOSA-N 1 2 336.867 2.437 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(N(C)C)ccn2)C1 ZINC001034050501 1195704437 /nfs/dbraw/zinc/70/44/37/1195704437.db2.gz AUWMSMFFRJZBJO-OAHLLOKOSA-N 1 2 336.867 2.437 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)c(C)o1 ZINC001034158699 1195846231 /nfs/dbraw/zinc/84/62/31/1195846231.db2.gz CISUKMCTKCQIOR-OAHLLOKOSA-N 1 2 341.415 2.276 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)c(C)o1 ZINC001034158699 1195846236 /nfs/dbraw/zinc/84/62/36/1195846236.db2.gz CISUKMCTKCQIOR-OAHLLOKOSA-N 1 2 341.415 2.276 20 30 EEEDLO C#CC[N@H+]1CCCC[C@H](NC(=O)c2scnc2C(F)(F)F)C1 ZINC001034255444 1195999475 /nfs/dbraw/zinc/99/94/75/1195999475.db2.gz YEILAHGGFXUWSB-JTQLQIEISA-N 1 2 331.363 2.379 20 30 EEEDLO C#CC[N@@H+]1CCCC[C@H](NC(=O)c2scnc2C(F)(F)F)C1 ZINC001034255444 1195999477 /nfs/dbraw/zinc/99/94/77/1195999477.db2.gz YEILAHGGFXUWSB-JTQLQIEISA-N 1 2 331.363 2.379 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(OCC)n[nH]2)C1 ZINC001034262509 1196013846 /nfs/dbraw/zinc/01/38/46/1196013846.db2.gz NEXVCHIBXUIXIH-GFCCVEGCSA-N 1 2 326.828 2.145 20 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ZINC001273192818 1197447745 /nfs/dbraw/zinc/44/77/45/1197447745.db2.gz HOJFQULFBGOLPE-GOSISDBHSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccnc1Cl)C2 ZINC001273192818 1197447748 /nfs/dbraw/zinc/44/77/48/1197447748.db2.gz HOJFQULFBGOLPE-GOSISDBHSA-N 1 2 349.862 2.362 20 30 EEEDLO Cc1noc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)c1C ZINC001014864166 1224461198 /nfs/dbraw/zinc/46/11/98/1224461198.db2.gz QDEWUDBQNCWBTF-HNNXBMFYSA-N 1 2 342.374 2.307 20 30 EEEDLO Cc1noc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)c1C ZINC001014864166 1224461203 /nfs/dbraw/zinc/46/12/03/1224461203.db2.gz QDEWUDBQNCWBTF-HNNXBMFYSA-N 1 2 342.374 2.307 20 30 EEEDLO C[C@H](C[C@@H](C)[NH2+]CC(F)(F)C(F)F)NC(=O)CSCC#N ZINC001133737212 1198997418 /nfs/dbraw/zinc/99/74/18/1198997418.db2.gz XBFZPUCMILENAC-RKDXNWHRSA-N 1 2 329.363 2.016 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c2C(C)C)[C@@H](O)C1 ZINC001090511643 1199117429 /nfs/dbraw/zinc/11/74/29/1199117429.db2.gz VUGOJXOWENKUEZ-KGLIPLIRSA-N 1 2 325.840 2.056 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c2C(C)C)[C@@H](O)C1 ZINC001090511643 1199117432 /nfs/dbraw/zinc/11/74/32/1199117432.db2.gz VUGOJXOWENKUEZ-KGLIPLIRSA-N 1 2 325.840 2.056 20 30 EEEDLO C=CC[C@H](NC(=O)NCC[N@H+]1CCOC[C@H]1CC)c1ccncc1 ZINC000875299828 1199203335 /nfs/dbraw/zinc/20/33/35/1199203335.db2.gz QQGJHYOGZZJEMB-SJORKVTESA-N 1 2 332.448 2.109 20 30 EEEDLO C=CC[C@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1CC)c1ccncc1 ZINC000875299828 1199203341 /nfs/dbraw/zinc/20/33/41/1199203341.db2.gz QQGJHYOGZZJEMB-SJORKVTESA-N 1 2 332.448 2.109 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)NCCCC)C2)CCC1 ZINC001132101377 1199293706 /nfs/dbraw/zinc/29/37/06/1199293706.db2.gz KKILLRGJPUHQJG-IRXDYDNUSA-N 1 2 347.503 2.065 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)NCCCC)C2)CCC1 ZINC001132101377 1199293710 /nfs/dbraw/zinc/29/37/10/1199293710.db2.gz KKILLRGJPUHQJG-IRXDYDNUSA-N 1 2 347.503 2.065 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCC2CC2)C1 ZINC001132218710 1199457724 /nfs/dbraw/zinc/45/77/24/1199457724.db2.gz UYFDGAUDQHVMBD-GOEBONIOSA-N 1 2 335.492 2.084 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCC2CC2)C1 ZINC001132218710 1199457728 /nfs/dbraw/zinc/45/77/28/1199457728.db2.gz UYFDGAUDQHVMBD-GOEBONIOSA-N 1 2 335.492 2.084 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)NCC(C)C)C2)C1 ZINC001132288832 1199541693 /nfs/dbraw/zinc/54/16/93/1199541693.db2.gz XNHUVRYTGSBETH-CVEARBPZSA-N 1 2 335.492 2.084 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)NCC(C)C)C2)C1 ZINC001132288832 1199541697 /nfs/dbraw/zinc/54/16/97/1199541697.db2.gz XNHUVRYTGSBETH-CVEARBPZSA-N 1 2 335.492 2.084 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2cc(C)c(C)s2)CC[C@@H]1C ZINC001132463166 1199751113 /nfs/dbraw/zinc/75/11/13/1199751113.db2.gz CLZLKFJGWCSXMM-DZGCQCFKSA-N 1 2 349.500 2.250 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2cc(C)c(C)s2)CC[C@@H]1C ZINC001132463166 1199751114 /nfs/dbraw/zinc/75/11/14/1199751114.db2.gz CLZLKFJGWCSXMM-DZGCQCFKSA-N 1 2 349.500 2.250 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nnc(C(F)(F)F)s1 ZINC001132574221 1199873493 /nfs/dbraw/zinc/87/34/93/1199873493.db2.gz XMLHYABCMXEDMT-BDAKNGLRSA-N 1 2 336.383 2.221 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nc(-c2cccs2)no1 ZINC001132576545 1199874613 /nfs/dbraw/zinc/87/46/13/1199874613.db2.gz LDRRTNXGUKUTHJ-NWDGAFQWSA-N 1 2 334.445 2.462 20 30 EEEDLO C=CCCS(=O)(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000120985125 1201478444 /nfs/dbraw/zinc/47/84/44/1201478444.db2.gz KZRIGQOZDWCGBX-UHFFFAOYSA-N 1 2 337.489 2.217 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)N(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001018401157 1224678388 /nfs/dbraw/zinc/67/83/88/1224678388.db2.gz SSQKCRWZNYMPNU-DZGCQCFKSA-N 1 2 344.459 2.113 20 30 EEEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2cc(C#N)nc(C)n2)cc1 ZINC000881774972 1201757121 /nfs/dbraw/zinc/75/71/21/1201757121.db2.gz GCDJRIDBZDYVCO-GOSISDBHSA-N 1 2 337.427 2.451 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001006360489 1202151917 /nfs/dbraw/zinc/15/19/17/1202151917.db2.gz NBJSKPNKIJDMSY-LBPRGKRZSA-N 1 2 340.427 2.352 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cn3cc(C)sc3n2)C1 ZINC001015091428 1224732865 /nfs/dbraw/zinc/73/28/65/1224732865.db2.gz VWYXUIFVXFKGIT-GFCCVEGCSA-N 1 2 338.864 2.190 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cn3cc(C)sc3n2)C1 ZINC001015091428 1224732870 /nfs/dbraw/zinc/73/28/70/1224732870.db2.gz VWYXUIFVXFKGIT-GFCCVEGCSA-N 1 2 338.864 2.190 20 30 EEEDLO C=C1CCC(C(=O)N2CCO[C@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001066672029 1202471607 /nfs/dbraw/zinc/47/16/07/1202471607.db2.gz MBZKCCJGZQACDY-MRXNPFEDSA-N 1 2 330.432 2.171 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(OC)cnc1F ZINC001274114786 1204380245 /nfs/dbraw/zinc/38/02/45/1204380245.db2.gz DQHSAVAHFITRSL-SFHVURJKSA-N 1 2 333.407 2.372 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(OC)cnc1F ZINC001274114786 1204380247 /nfs/dbraw/zinc/38/02/47/1204380247.db2.gz DQHSAVAHFITRSL-SFHVURJKSA-N 1 2 333.407 2.372 20 30 EEEDLO C=CCN(CCOC)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890251397 1204815394 /nfs/dbraw/zinc/81/53/94/1204815394.db2.gz VQKVBOMVPFEWPK-QGZVFWFLSA-N 1 2 328.416 2.468 20 30 EEEDLO Cc1cc(C[N@@H+]2CCC[C@@]23CCN(Cc2cccc(C#N)c2)C3=O)[nH]n1 ZINC001275165016 1205271077 /nfs/dbraw/zinc/27/10/77/1205271077.db2.gz NTFUJNXTKWOJFZ-FQEVSTJZSA-N 1 2 349.438 2.357 20 30 EEEDLO Cc1cc(C[N@H+]2CCC[C@@]23CCN(Cc2cccc(C#N)c2)C3=O)[nH]n1 ZINC001275165016 1205271078 /nfs/dbraw/zinc/27/10/78/1205271078.db2.gz NTFUJNXTKWOJFZ-FQEVSTJZSA-N 1 2 349.438 2.357 20 30 EEEDLO CCn1ccnc1C[N@@H+]1CCC2(CN(Cc3cccc(C#N)c3)C2)C1 ZINC001275290370 1205299329 /nfs/dbraw/zinc/29/93/29/1205299329.db2.gz IPMLMUPIKWZDAN-UHFFFAOYSA-N 1 2 335.455 2.483 20 30 EEEDLO CCn1ccnc1C[N@H+]1CCC2(CN(Cc3cccc(C#N)c3)C2)C1 ZINC001275290370 1205299332 /nfs/dbraw/zinc/29/93/32/1205299332.db2.gz IPMLMUPIKWZDAN-UHFFFAOYSA-N 1 2 335.455 2.483 20 30 EEEDLO N#Cc1ccc(Cl)c(CN2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)c1 ZINC001275312653 1205306229 /nfs/dbraw/zinc/30/62/29/1205306229.db2.gz XMMQHJREHMNYCL-UHFFFAOYSA-N 1 2 327.819 2.253 20 30 EEEDLO Cn1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccnc(F)c2)cc1C#N ZINC001275400149 1205339920 /nfs/dbraw/zinc/33/99/20/1205339920.db2.gz AWOHXFOZPCDRIE-CALCHBBNSA-N 1 2 339.418 2.280 20 30 EEEDLO Cn1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccnc(F)c2)cc1C#N ZINC001275400149 1205339921 /nfs/dbraw/zinc/33/99/21/1205339921.db2.gz AWOHXFOZPCDRIE-CALCHBBNSA-N 1 2 339.418 2.280 20 30 EEEDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001275600060 1205439033 /nfs/dbraw/zinc/43/90/33/1205439033.db2.gz HKWFNGOMJCRWIJ-GUYCJALGSA-N 1 2 330.407 2.321 20 30 EEEDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001275600060 1205439035 /nfs/dbraw/zinc/43/90/35/1205439035.db2.gz HKWFNGOMJCRWIJ-GUYCJALGSA-N 1 2 330.407 2.321 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C)C1 ZINC001015212821 1224924011 /nfs/dbraw/zinc/92/40/11/1224924011.db2.gz JBKDBIPUTQSJRS-CABCVRRESA-N 1 2 344.459 2.113 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nnn1CC ZINC001110897392 1206055726 /nfs/dbraw/zinc/05/57/26/1206055726.db2.gz LPDLGRCWHRXIAV-KFWWJZLASA-N 1 2 331.464 2.040 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nnn1CC ZINC001110897392 1206055727 /nfs/dbraw/zinc/05/57/27/1206055727.db2.gz LPDLGRCWHRXIAV-KFWWJZLASA-N 1 2 331.464 2.040 20 30 EEEDLO CC[C@@H]([NH2+]C1CCN(C(=O)CCOC)CC1)c1cccc(C#N)c1O ZINC000925561153 1206128195 /nfs/dbraw/zinc/12/81/95/1206128195.db2.gz PNRHNXHSJUONGS-QGZVFWFLSA-N 1 2 345.443 2.332 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NC[C@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110917072 1206234413 /nfs/dbraw/zinc/23/44/13/1206234413.db2.gz WMOKBLLSTAVRFP-KXBFYZLASA-N 1 2 346.475 2.489 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ncccn1 ZINC001110928751 1206296297 /nfs/dbraw/zinc/29/62/97/1206296297.db2.gz CZSYOKVNORMCHG-HZMVEIRTSA-N 1 2 326.444 2.453 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ncccn1 ZINC001110928751 1206296299 /nfs/dbraw/zinc/29/62/99/1206296299.db2.gz CZSYOKVNORMCHG-HZMVEIRTSA-N 1 2 326.444 2.453 20 30 EEEDLO C=CCOc1ccc(C(=O)N[C@H](CC)C[NH+]2CCOCC2)cc1OC ZINC000928644826 1206406739 /nfs/dbraw/zinc/40/67/39/1206406739.db2.gz RMYBFRIVBIUBSN-MRXNPFEDSA-N 1 2 348.443 2.101 20 30 EEEDLO N#Cc1ccc(CN2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC000929362453 1206468479 /nfs/dbraw/zinc/46/84/79/1206468479.db2.gz FNNGZCZVHBQWAR-UHFFFAOYSA-N 1 2 345.406 2.393 20 30 EEEDLO Cc1cc(NC2(CNC(=O)[C@H](C)C#N)CCOCC2)nc(C(C)C)[nH+]1 ZINC001110977376 1206515563 /nfs/dbraw/zinc/51/55/63/1206515563.db2.gz KSJJQGIEPJLIPN-CYBMUJFWSA-N 1 2 345.447 2.145 20 30 EEEDLO CN(CCCNC(=O)CCc1[nH+]ccn1C)c1cccc(F)c1C#N ZINC001095789983 1208520569 /nfs/dbraw/zinc/52/05/69/1208520569.db2.gz HQGLDQHTPUKWJD-UHFFFAOYSA-N 1 2 343.406 2.006 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cnco2)C[C@@H]1C ZINC000947584558 1208632041 /nfs/dbraw/zinc/63/20/41/1208632041.db2.gz JOFJOLAJUHRPDH-WDEREUQCSA-N 1 2 328.210 2.166 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cnco2)C[C@@H]1C ZINC000947584558 1208632042 /nfs/dbraw/zinc/63/20/42/1208632042.db2.gz JOFJOLAJUHRPDH-WDEREUQCSA-N 1 2 328.210 2.166 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3cc(F)c[nH]3)C2)ccc1F ZINC001015316969 1225095169 /nfs/dbraw/zinc/09/51/69/1225095169.db2.gz ICMPBGCPOAJLHZ-AWEZNQCLSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)c3cc(F)c[nH]3)C2)ccc1F ZINC001015316969 1225095175 /nfs/dbraw/zinc/09/51/75/1225095175.db2.gz ICMPBGCPOAJLHZ-AWEZNQCLSA-N 1 2 330.338 2.169 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](CC)C2)C1 ZINC000948539001 1209204729 /nfs/dbraw/zinc/20/47/29/1209204729.db2.gz QDLWEDSDIZGLTA-HOCLYGCPSA-N 1 2 344.459 2.052 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnnc(C)c1 ZINC000948910106 1209447517 /nfs/dbraw/zinc/44/75/17/1209447517.db2.gz JBRBQVJPNNRKQY-LJQANCHMSA-N 1 2 334.423 2.138 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnnc(C)c1 ZINC000948910106 1209447520 /nfs/dbraw/zinc/44/75/20/1209447520.db2.gz JBRBQVJPNNRKQY-LJQANCHMSA-N 1 2 334.423 2.138 20 30 EEEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(OC)no1 ZINC000948910043 1209447594 /nfs/dbraw/zinc/44/75/94/1209447594.db2.gz HEIAXKCMVCIZDU-HNNXBMFYSA-N 1 2 327.384 2.198 20 30 EEEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(OC)no1 ZINC000948910043 1209447597 /nfs/dbraw/zinc/44/75/97/1209447597.db2.gz HEIAXKCMVCIZDU-HNNXBMFYSA-N 1 2 327.384 2.198 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(OC)no1 ZINC000948910365 1209448147 /nfs/dbraw/zinc/44/81/47/1209448147.db2.gz PHKZFVOIDGUYDS-INIZCTEOSA-N 1 2 339.395 2.036 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(OC)no1 ZINC000948910365 1209448151 /nfs/dbraw/zinc/44/81/51/1209448151.db2.gz PHKZFVOIDGUYDS-INIZCTEOSA-N 1 2 339.395 2.036 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000948936470 1209462404 /nfs/dbraw/zinc/46/24/04/1209462404.db2.gz REDTWPLSYCLJCP-CTNGQTDRSA-N 1 2 346.430 2.339 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000948936470 1209462407 /nfs/dbraw/zinc/46/24/07/1209462407.db2.gz REDTWPLSYCLJCP-CTNGQTDRSA-N 1 2 346.430 2.339 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnn(CC)c1C ZINC000948974892 1209483093 /nfs/dbraw/zinc/48/30/93/1209483093.db2.gz NYAQKDLAOFLCLJ-LJQANCHMSA-N 1 2 336.439 2.174 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnn(CC)c1C ZINC000948974892 1209483096 /nfs/dbraw/zinc/48/30/96/1209483096.db2.gz NYAQKDLAOFLCLJ-LJQANCHMSA-N 1 2 336.439 2.174 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC000948978358 1209485394 /nfs/dbraw/zinc/48/53/94/1209485394.db2.gz KPXFQUSKJORLJJ-HXUWFJFHSA-N 1 2 333.435 2.466 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC000948978358 1209485395 /nfs/dbraw/zinc/48/53/95/1209485395.db2.gz KPXFQUSKJORLJJ-HXUWFJFHSA-N 1 2 333.435 2.466 20 30 EEEDLO C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)C1 ZINC000949474684 1209705159 /nfs/dbraw/zinc/70/51/59/1209705159.db2.gz HMMUWXKNEZCDJX-UHFFFAOYSA-N 1 2 346.475 2.416 20 30 EEEDLO C=C(C)C[N@H+]1CCOC2(CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)C1 ZINC000949474684 1209705161 /nfs/dbraw/zinc/70/51/61/1209705161.db2.gz HMMUWXKNEZCDJX-UHFFFAOYSA-N 1 2 346.475 2.416 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)c3ccc(C)s3)CC2)C1 ZINC000949509666 1209720354 /nfs/dbraw/zinc/72/03/54/1209720354.db2.gz VYNLKTVSURMVBY-INIZCTEOSA-N 1 2 346.496 2.487 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)c3ccc(C)s3)CC2)C1 ZINC000949509666 1209720356 /nfs/dbraw/zinc/72/03/56/1209720356.db2.gz VYNLKTVSURMVBY-INIZCTEOSA-N 1 2 346.496 2.487 20 30 EEEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3ccon3)c2)n1 ZINC000077239247 1209728166 /nfs/dbraw/zinc/72/81/66/1209728166.db2.gz GHXKKRKDPRFNPA-UHFFFAOYSA-N 1 2 325.372 2.373 20 30 EEEDLO Cc1cccc([C@H](O)C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 ZINC000779411718 1210155253 /nfs/dbraw/zinc/15/52/53/1210155253.db2.gz GVPGUMGYGNDRNX-GVDBMIGSSA-N 1 2 345.443 2.377 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[NH+](Cc3ccc(CF)cc3)CC2)c1 ZINC000950406961 1210193736 /nfs/dbraw/zinc/19/37/36/1210193736.db2.gz SQVVSTTYZJNVSE-UHFFFAOYSA-N 1 2 337.398 2.490 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[NH+](Cc3ccccc3N(C)C)CC2)c1 ZINC000950406780 1210193918 /nfs/dbraw/zinc/19/39/18/1210193918.db2.gz IHZOJCTZAQKJAU-UHFFFAOYSA-N 1 2 348.450 2.087 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c(C)nc3ccnn3c2C)C1 ZINC000950680983 1210347290 /nfs/dbraw/zinc/34/72/90/1210347290.db2.gz HWCKCHLECQVTFL-UHFFFAOYSA-N 1 2 327.432 2.069 20 30 EEEDLO C#CCOCCC(=O)NCC1(Nc2cc[nH+]c(C)n2)CCCCCC1 ZINC001095811549 1210393188 /nfs/dbraw/zinc/39/31/88/1210393188.db2.gz DZWYVMDZYOHKHC-UHFFFAOYSA-N 1 2 344.459 2.446 20 30 EEEDLO C=C1CCC(C(=O)N(CC)C2C[NH+](CCc3cnn(C)c3)C2)CC1 ZINC000951619129 1210921221 /nfs/dbraw/zinc/92/12/21/1210921221.db2.gz BVXCHYHKDOWXLC-UHFFFAOYSA-N 1 2 330.476 2.242 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC000952532723 1211473000 /nfs/dbraw/zinc/47/30/00/1211473000.db2.gz LVQFXOXKOJHTMR-CABCVRRESA-N 1 2 344.459 2.146 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC000952932180 1211626450 /nfs/dbraw/zinc/62/64/50/1211626450.db2.gz RIJBTUGHTIUVOZ-LJQANCHMSA-N 1 2 344.459 2.006 20 30 EEEDLO CCN(CCCNC(=O)C#CC1CC1)c1nc(C)[nH+]c2c1CCCC2 ZINC001095878690 1211959793 /nfs/dbraw/zinc/95/97/93/1211959793.db2.gz ASVMJEVWQKTMLV-UHFFFAOYSA-N 1 2 340.471 2.410 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CCC)C2)CC1 ZINC000956600977 1214123543 /nfs/dbraw/zinc/12/35/43/1214123543.db2.gz IURJHNJYCSPSHN-MRXNPFEDSA-N 1 2 335.492 2.134 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[NH+]([C@@H]3CCN(C(=O)CC(C)C)C3)CC2)C1 ZINC000956605533 1214127297 /nfs/dbraw/zinc/12/72/97/1214127297.db2.gz OBUROKOMNUJZPS-QGZVFWFLSA-N 1 2 347.503 2.134 20 30 EEEDLO COc1ncccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001015647499 1225506296 /nfs/dbraw/zinc/50/62/96/1225506296.db2.gz FCBVCMNMXPUDID-LBPRGKRZSA-N 1 2 342.424 2.028 20 30 EEEDLO COc1ncccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001015647499 1225506299 /nfs/dbraw/zinc/50/62/99/1225506299.db2.gz FCBVCMNMXPUDID-LBPRGKRZSA-N 1 2 342.424 2.028 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3c(C)nnn3CC)C2)CC1 ZINC001015659586 1225520610 /nfs/dbraw/zinc/52/06/10/1225520610.db2.gz DTEIFZAPLUIDMK-MRXNPFEDSA-N 1 2 331.464 2.043 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3c(C)nnn3CC)C2)CC1 ZINC001015659586 1225520617 /nfs/dbraw/zinc/52/06/17/1225520617.db2.gz DTEIFZAPLUIDMK-MRXNPFEDSA-N 1 2 331.464 2.043 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nc(CC)no3)C[C@H]21 ZINC001114673011 1214749867 /nfs/dbraw/zinc/74/98/67/1214749867.db2.gz ZGSFPLKRPXMNJP-RMRHIDDWSA-N 1 2 332.448 2.342 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nc(CC)no3)C[C@H]21 ZINC001114673011 1214749872 /nfs/dbraw/zinc/74/98/72/1214749872.db2.gz ZGSFPLKRPXMNJP-RMRHIDDWSA-N 1 2 332.448 2.342 20 30 EEEDLO Nc1ccccc1C(NO)=[NH+]c1cnn(CCO[C@H]2CCCCO2)c1 ZINC001212954263 1214755154 /nfs/dbraw/zinc/75/51/54/1214755154.db2.gz SMMNRQTVWPJQQN-INIZCTEOSA-N 1 2 345.403 2.066 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001015690073 1225554751 /nfs/dbraw/zinc/55/47/51/1225554751.db2.gz LSJJPYVEVNYMOI-SJORKVTESA-N 1 2 349.438 2.092 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001015690073 1225554753 /nfs/dbraw/zinc/55/47/53/1225554753.db2.gz LSJJPYVEVNYMOI-SJORKVTESA-N 1 2 349.438 2.092 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccnc(C3CCCC3)n2)C1 ZINC000957072791 1214811315 /nfs/dbraw/zinc/81/13/15/1214811315.db2.gz FZWYIJWKFCYSDB-UHFFFAOYSA-N 1 2 326.444 2.304 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccnc(O[C@H](C)CC)c2)C1 ZINC000957111511 1214846283 /nfs/dbraw/zinc/84/62/83/1214846283.db2.gz OEPILOBFQBGFQU-OAHLLOKOSA-N 1 2 329.444 2.429 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCc3sc(C)nc32)C1 ZINC000957127043 1214859553 /nfs/dbraw/zinc/85/95/53/1214859553.db2.gz AAAQSXJYCWAERI-OAHLLOKOSA-N 1 2 331.485 2.427 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001015703768 1225568636 /nfs/dbraw/zinc/56/86/36/1225568636.db2.gz MXCBNWAWFIDHEX-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001015703768 1225568642 /nfs/dbraw/zinc/56/86/42/1225568642.db2.gz MXCBNWAWFIDHEX-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC000957399544 1215102051 /nfs/dbraw/zinc/10/20/51/1215102051.db2.gz LMNJEIGVRQLZMS-UHFFFAOYSA-N 1 2 327.432 2.069 20 30 EEEDLO C#CCCCC(=O)N1C[C@@]2(C)CN(c3cc[nH+]c(C)n3)C[C@@]2(C)C1 ZINC001114727052 1215118965 /nfs/dbraw/zinc/11/89/65/1215118965.db2.gz ICMIHBUZSZTYKQ-KDURUIRLSA-N 1 2 326.444 2.263 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC001015720432 1225592376 /nfs/dbraw/zinc/59/23/76/1225592376.db2.gz AVTXAQDXBYAIDF-KFWWJZLASA-N 1 2 335.473 2.042 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2nc(C)c(C)s2)C1 ZINC001015720432 1225592381 /nfs/dbraw/zinc/59/23/81/1225592381.db2.gz AVTXAQDXBYAIDF-KFWWJZLASA-N 1 2 335.473 2.042 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2occc2C(C)C)C1 ZINC000958335334 1215670496 /nfs/dbraw/zinc/67/04/96/1215670496.db2.gz VTUJZLWFLXEIAG-JSGCOSHPSA-N 1 2 326.824 2.178 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2occc2C(C)C)C1 ZINC000958335334 1215670500 /nfs/dbraw/zinc/67/05/00/1215670500.db2.gz VTUJZLWFLXEIAG-JSGCOSHPSA-N 1 2 326.824 2.178 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)[C@H]1CCOC1 ZINC000960459559 1216598013 /nfs/dbraw/zinc/59/80/13/1216598013.db2.gz RXFLWPRNDSEVDL-YJBOKZPZSA-N 1 2 345.418 2.157 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)[C@H]1CCOC1 ZINC000960459559 1216598014 /nfs/dbraw/zinc/59/80/14/1216598014.db2.gz RXFLWPRNDSEVDL-YJBOKZPZSA-N 1 2 345.418 2.157 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ncc(CC)o4)C[C@H]32)cc1 ZINC000961438363 1217190276 /nfs/dbraw/zinc/19/02/76/1217190276.db2.gz GCWMZPUSUYBXCN-DZFIZOCASA-N 1 2 335.407 2.079 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ncc(CC)o4)C[C@H]32)cc1 ZINC000961438363 1217190278 /nfs/dbraw/zinc/19/02/78/1217190278.db2.gz GCWMZPUSUYBXCN-DZFIZOCASA-N 1 2 335.407 2.079 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC000965167778 1218936764 /nfs/dbraw/zinc/93/67/64/1218936764.db2.gz XJRRRSFKUBRBFS-OAHLLOKOSA-N 1 2 344.459 2.196 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC000965167778 1218936766 /nfs/dbraw/zinc/93/67/66/1218936766.db2.gz XJRRRSFKUBRBFS-OAHLLOKOSA-N 1 2 344.459 2.196 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ncoc3C3CC3)C2)s1 ZINC001015945954 1225868518 /nfs/dbraw/zinc/86/85/18/1225868518.db2.gz PFNSCSBDDCMFTM-GFCCVEGCSA-N 1 2 342.424 2.489 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ncoc3C3CC3)C2)s1 ZINC001015945954 1225868523 /nfs/dbraw/zinc/86/85/23/1225868523.db2.gz PFNSCSBDDCMFTM-GFCCVEGCSA-N 1 2 342.424 2.489 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc3n[nH]cc3c2)C1 ZINC000966899501 1220106126 /nfs/dbraw/zinc/10/61/26/1220106126.db2.gz JMZUMHVYIFCASJ-QMTHXVAHSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc3n[nH]cc3c2)C1 ZINC000966899501 1220106125 /nfs/dbraw/zinc/10/61/25/1220106125.db2.gz JMZUMHVYIFCASJ-QMTHXVAHSA-N 1 2 333.823 2.151 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cnco1 ZINC000967560953 1220628993 /nfs/dbraw/zinc/62/89/93/1220628993.db2.gz OMXJCSIPUYUSAV-BLLLJJGKSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cnco1 ZINC000967560953 1220628996 /nfs/dbraw/zinc/62/89/96/1220628996.db2.gz OMXJCSIPUYUSAV-BLLLJJGKSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@@H]1CC[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1n[nH]cc1F ZINC000968188862 1221115051 /nfs/dbraw/zinc/11/50/51/1221115051.db2.gz DNMUHNFDYHFXFB-RHSMWYFYSA-N 1 2 340.402 2.041 20 30 EEEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1n[nH]cc1F ZINC000968188862 1221115054 /nfs/dbraw/zinc/11/50/54/1221115054.db2.gz DNMUHNFDYHFXFB-RHSMWYFYSA-N 1 2 340.402 2.041 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3nnn(C)c3c2)C1 ZINC000968591688 1221425007 /nfs/dbraw/zinc/42/50/07/1221425007.db2.gz DBSAXZZVUOERQM-IAQYHMDHSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3nnn(C)c3c2)C1 ZINC000968591688 1221425009 /nfs/dbraw/zinc/42/50/09/1221425009.db2.gz DBSAXZZVUOERQM-IAQYHMDHSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2c(C)nn3cccnc23)C1 ZINC000968663785 1221473504 /nfs/dbraw/zinc/47/35/04/1221473504.db2.gz AYZBHQOTSWLMCX-FZMZJTMJSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2c(C)nn3cccnc23)C1 ZINC000968663785 1221473507 /nfs/dbraw/zinc/47/35/07/1221473507.db2.gz AYZBHQOTSWLMCX-FZMZJTMJSA-N 1 2 347.850 2.230 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCCCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)o1 ZINC000968803272 1221582966 /nfs/dbraw/zinc/58/29/66/1221582966.db2.gz HQYLNRWPZOSMMX-OAHLLOKOSA-N 1 2 341.415 2.357 20 30 EEEDLO Cc1cnc(C[N@H+]2CCCCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)o1 ZINC000968803272 1221582968 /nfs/dbraw/zinc/58/29/68/1221582968.db2.gz HQYLNRWPZOSMMX-OAHLLOKOSA-N 1 2 341.415 2.357 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1cc(OC)no1 ZINC000968822403 1221599225 /nfs/dbraw/zinc/59/92/25/1221599225.db2.gz WFSHKTREUUPKAP-GFCCVEGCSA-N 1 2 327.812 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cc(OC)no1 ZINC000968822403 1221599227 /nfs/dbraw/zinc/59/92/27/1221599227.db2.gz WFSHKTREUUPKAP-GFCCVEGCSA-N 1 2 327.812 2.410 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2Cc3cccnc3C2)C1 ZINC001016104914 1226083304 /nfs/dbraw/zinc/08/33/04/1226083304.db2.gz SPYFZXYYHXPRHH-MOPGFXCFSA-N 1 2 346.434 2.059 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2Cc3cccnc3C2)C1 ZINC001016104914 1226083310 /nfs/dbraw/zinc/08/33/10/1226083310.db2.gz SPYFZXYYHXPRHH-MOPGFXCFSA-N 1 2 346.434 2.059 20 30 EEEDLO COC1CC(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001007552968 1222289695 /nfs/dbraw/zinc/28/96/95/1222289695.db2.gz BNCPRLAVJVOXLZ-CUYAVPTFSA-N 1 2 344.430 2.183 20 30 EEEDLO COC1CC(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001007552968 1222289696 /nfs/dbraw/zinc/28/96/96/1222289696.db2.gz BNCPRLAVJVOXLZ-CUYAVPTFSA-N 1 2 344.430 2.183 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008121201 1222634332 /nfs/dbraw/zinc/63/43/32/1222634332.db2.gz HYLOYEIBPZQAQN-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008121201 1222634335 /nfs/dbraw/zinc/63/43/35/1222634335.db2.gz HYLOYEIBPZQAQN-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1)c1cncnc1 ZINC001008295996 1222742765 /nfs/dbraw/zinc/74/27/65/1222742765.db2.gz VSSWOPNFIPTUPE-DNVCBOLYSA-N 1 2 349.438 2.233 20 30 EEEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)c1cncnc1 ZINC001008295996 1222742767 /nfs/dbraw/zinc/74/27/67/1222742767.db2.gz VSSWOPNFIPTUPE-DNVCBOLYSA-N 1 2 349.438 2.233 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc3ccccc3n2)C1 ZINC001009231345 1223183353 /nfs/dbraw/zinc/18/33/53/1223183353.db2.gz KBEPHVJMMNOCFC-HNNXBMFYSA-N 1 2 332.835 2.369 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2cc3ccccc3n2)C1 ZINC001009231345 1223183354 /nfs/dbraw/zinc/18/33/54/1223183354.db2.gz KBEPHVJMMNOCFC-HNNXBMFYSA-N 1 2 332.835 2.369 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCCOC2)C1 ZINC001009550075 1223282166 /nfs/dbraw/zinc/28/21/66/1223282166.db2.gz CDSXYIDNVKFUSP-LPHOPBHVSA-N 1 2 341.455 2.456 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCCOC2)C1 ZINC001009550075 1223282169 /nfs/dbraw/zinc/28/21/69/1223282169.db2.gz CDSXYIDNVKFUSP-LPHOPBHVSA-N 1 2 341.455 2.456 20 30 EEEDLO Cc1nccc(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)n1 ZINC001009556506 1223284426 /nfs/dbraw/zinc/28/44/26/1223284426.db2.gz BJVDEYNUDLPXBR-SFHVURJKSA-N 1 2 334.423 2.031 20 30 EEEDLO Cc1nccc(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)n1 ZINC001009556506 1223284429 /nfs/dbraw/zinc/28/44/29/1223284429.db2.gz BJVDEYNUDLPXBR-SFHVURJKSA-N 1 2 334.423 2.031 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)c2ccco2)C1 ZINC001009925815 1223448462 /nfs/dbraw/zinc/44/84/62/1223448462.db2.gz KZTCHBOKLNPVAX-OAHLLOKOSA-N 1 2 325.368 2.164 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)c2ccco2)C1 ZINC001009925815 1223448464 /nfs/dbraw/zinc/44/84/64/1223448464.db2.gz KZTCHBOKLNPVAX-OAHLLOKOSA-N 1 2 325.368 2.164 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)no1 ZINC001010079595 1223539235 /nfs/dbraw/zinc/53/92/35/1223539235.db2.gz QBFCXWKUTDVOQZ-MRXNPFEDSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)no1 ZINC001010079595 1223539237 /nfs/dbraw/zinc/53/92/37/1223539237.db2.gz QBFCXWKUTDVOQZ-MRXNPFEDSA-N 1 2 343.814 2.492 20 30 EEEDLO CCc1ocnc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001010404510 1223704370 /nfs/dbraw/zinc/70/43/70/1223704370.db2.gz LNMGDFJYMCIBHN-LLVKDONJSA-N 1 2 330.413 2.174 20 30 EEEDLO CCc1ocnc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001010404510 1223704373 /nfs/dbraw/zinc/70/43/73/1223704373.db2.gz LNMGDFJYMCIBHN-LLVKDONJSA-N 1 2 330.413 2.174 20 30 EEEDLO CCc1ocnc1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010404329 1223704627 /nfs/dbraw/zinc/70/46/27/1223704627.db2.gz JEBPBWGNSRXUOQ-CQSZACIVSA-N 1 2 342.374 2.252 20 30 EEEDLO CCc1ocnc1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010404329 1223704630 /nfs/dbraw/zinc/70/46/30/1223704630.db2.gz JEBPBWGNSRXUOQ-CQSZACIVSA-N 1 2 342.374 2.252 20 30 EEEDLO C=C1CCC(C(=O)N2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001011193922 1224079783 /nfs/dbraw/zinc/07/97/83/1224079783.db2.gz YGRLXJZUHCJXAS-HNNXBMFYSA-N 1 2 344.459 2.006 20 30 EEEDLO C=C1CCC(C(=O)N2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001011193922 1224079785 /nfs/dbraw/zinc/07/97/85/1224079785.db2.gz YGRLXJZUHCJXAS-HNNXBMFYSA-N 1 2 344.459 2.006 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(C)nc2-c2ccco2)C1 ZINC001014399634 1226573373 /nfs/dbraw/zinc/57/33/73/1226573373.db2.gz QCZIXZSADMDVQR-LBPRGKRZSA-N 1 2 334.807 2.237 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nc2-c2ccco2)C1 ZINC001014399634 1226573375 /nfs/dbraw/zinc/57/33/75/1226573375.db2.gz QCZIXZSADMDVQR-LBPRGKRZSA-N 1 2 334.807 2.237 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@]2(NC(=O)Cc3[nH]cc[nH+]3)CCC[C@H]12 ZINC001014440503 1226619875 /nfs/dbraw/zinc/61/98/75/1226619875.db2.gz ZHSIUTXFLZEODO-GDIGMMSISA-N 1 2 344.459 2.194 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n(C(CC)CC)n1 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C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cncc(C)c1 ZINC001038796545 1230063511 /nfs/dbraw/zinc/06/35/11/1230063511.db2.gz MQFRSZKFSOWWJH-QYZOEREBSA-N 1 2 343.471 2.452 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cncc(C)c1 ZINC001038796545 1230063514 /nfs/dbraw/zinc/06/35/14/1230063514.db2.gz MQFRSZKFSOWWJH-QYZOEREBSA-N 1 2 343.471 2.452 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cncs1 ZINC001038799865 1230065343 /nfs/dbraw/zinc/06/53/43/1230065343.db2.gz OAUXKWPGRUGBFR-BPUTZDHNSA-N 1 2 335.473 2.205 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cncs1 ZINC001038799865 1230065347 /nfs/dbraw/zinc/06/53/47/1230065347.db2.gz OAUXKWPGRUGBFR-BPUTZDHNSA-N 1 2 335.473 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cncnc2C2CC2)cc1 ZINC001038977075 1230207748 /nfs/dbraw/zinc/20/77/48/1230207748.db2.gz NRVUOQICTVKPBM-KRWDZBQOSA-N 1 2 347.422 2.230 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cncnc2C2CC2)cc1 ZINC001038977075 1230207752 /nfs/dbraw/zinc/20/77/52/1230207752.db2.gz NRVUOQICTVKPBM-KRWDZBQOSA-N 1 2 347.422 2.230 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)C2CCC(C)(C)CC2)C1=O ZINC001039059824 1230272236 /nfs/dbraw/zinc/27/22/36/1230272236.db2.gz GRWLREKGOLTFTH-IAGOWNOFSA-N 1 2 347.503 2.180 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)C2CCC(C)(C)CC2)C1=O ZINC001039059824 1230272238 /nfs/dbraw/zinc/27/22/38/1230272238.db2.gz GRWLREKGOLTFTH-IAGOWNOFSA-N 1 2 347.503 2.180 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c2c(nn1C)CCC2 ZINC001039460061 1230626201 /nfs/dbraw/zinc/62/62/01/1230626201.db2.gz XFMFBQRJOMCMSS-KGLIPLIRSA-N 1 2 348.878 2.340 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c2c(nn1C)CCC2 ZINC001039460061 1230626205 /nfs/dbraw/zinc/62/62/05/1230626205.db2.gz XFMFBQRJOMCMSS-KGLIPLIRSA-N 1 2 348.878 2.340 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CC[N@H+](Cc4nccs4)[C@H]3C2)c1 ZINC001041999168 1231818846 /nfs/dbraw/zinc/81/88/46/1231818846.db2.gz 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CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1ccc(C#N)cc1)C2 ZINC001203904035 1321986084 /nfs/dbraw/zinc/98/60/84/1321986084.db2.gz QUKYLXWOEXRXLY-UHFFFAOYSA-N 1 2 338.459 2.396 20 30 EEEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1ccc(C#N)cc1)C2 ZINC001203904035 1321986086 /nfs/dbraw/zinc/98/60/86/1321986086.db2.gz QUKYLXWOEXRXLY-UHFFFAOYSA-N 1 2 338.459 2.396 20 30 EEEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1nccn1C)CC2 ZINC001205120703 1322291249 /nfs/dbraw/zinc/29/12/49/1322291249.db2.gz IQWPNWPOLSGARM-UHFFFAOYSA-N 1 2 341.459 2.288 20 30 EEEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1nccn1C)CC2 ZINC001205120703 1322291254 /nfs/dbraw/zinc/29/12/54/1322291254.db2.gz IQWPNWPOLSGARM-UHFFFAOYSA-N 1 2 341.459 2.288 20 30 EEEDLO C=CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1)c1ccccc1 ZINC001265317594 1323065753 /nfs/dbraw/zinc/06/57/53/1323065753.db2.gz SGCJHDKZTNAVHG-IEBWSBKVSA-N 1 2 338.455 2.471 20 30 EEEDLO C=CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1)c1ccccc1 ZINC001265317594 1323065756 /nfs/dbraw/zinc/06/57/56/1323065756.db2.gz SGCJHDKZTNAVHG-IEBWSBKVSA-N 1 2 338.455 2.471 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCCOC)C1 ZINC001206495385 1323512798 /nfs/dbraw/zinc/51/27/98/1323512798.db2.gz LWHPIZBSDPXUOY-DGCLKSJQSA-N 1 2 333.270 2.148 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCCOC)C1 ZINC001206495385 1323512801 /nfs/dbraw/zinc/51/28/01/1323512801.db2.gz LWHPIZBSDPXUOY-DGCLKSJQSA-N 1 2 333.270 2.148 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+](Cc2ncc(CC)o2)C[C@H]1C ZINC001206779046 1323590858 /nfs/dbraw/zinc/59/08/58/1323590858.db2.gz WGRJPXWRNZPUPU-GDBMZVCRSA-N 1 2 335.448 2.156 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](Cc2ncc(CC)o2)C[C@H]1C ZINC001206779046 1323590862 /nfs/dbraw/zinc/59/08/62/1323590862.db2.gz WGRJPXWRNZPUPU-GDBMZVCRSA-N 1 2 335.448 2.156 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2csnc2OC)C[C@H]1C ZINC001206885831 1323667526 /nfs/dbraw/zinc/66/75/26/1323667526.db2.gz HTDJIAISFXSAMO-UKRRQHHQSA-N 1 2 335.473 2.282 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2csnc2OC)C[C@H]1C ZINC001206885831 1323667533 /nfs/dbraw/zinc/66/75/33/1323667533.db2.gz HTDJIAISFXSAMO-UKRRQHHQSA-N 1 2 335.473 2.282 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+](Cc2nc3ccccc3n2C)C[C@H]1C ZINC001206938077 1323722094 /nfs/dbraw/zinc/72/20/94/1323722094.db2.gz GKDZIFQVWLSNDO-NVXWUHKLSA-N 1 2 338.455 2.169 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2nc3ccccc3n2C)C[C@H]1C ZINC001206938077 1323722099 /nfs/dbraw/zinc/72/20/99/1323722099.db2.gz GKDZIFQVWLSNDO-NVXWUHKLSA-N 1 2 338.455 2.169 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2(COC)CC2)C1 ZINC001206953275 1323739491 /nfs/dbraw/zinc/73/94/91/1323739491.db2.gz ZOHKJKDOBDTALN-DGCLKSJQSA-N 1 2 345.281 2.148 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2(COC)CC2)C1 ZINC001206953275 1323739496 /nfs/dbraw/zinc/73/94/96/1323739496.db2.gz ZOHKJKDOBDTALN-DGCLKSJQSA-N 1 2 345.281 2.148 20 30 EEEDLO Cn1cc(CN2CCC23C[NH+](Cc2cc4ncccc4[nH]2)C3)cc1C#N ZINC001279458445 1323907854 /nfs/dbraw/zinc/90/78/54/1323907854.db2.gz CRDIMKSFHGCBAW-UHFFFAOYSA-N 1 2 346.438 2.233 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2cc(C)on2)C[C@H]1C ZINC001208129070 1324329117 /nfs/dbraw/zinc/32/91/17/1324329117.db2.gz NSVCJICDKMDKGO-QBIMZIAESA-N 1 2 335.448 2.148 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)on2)C[C@H]1C ZINC001208129070 1324329120 /nfs/dbraw/zinc/32/91/20/1324329120.db2.gz NSVCJICDKMDKGO-QBIMZIAESA-N 1 2 335.448 2.148 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2cccnc2OC)C1 ZINC001316606611 1324564376 /nfs/dbraw/zinc/56/43/76/1324564376.db2.gz WQWWPVFCAOTPOI-INIZCTEOSA-N 1 2 329.444 2.479 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2cccnc2OC)C1 ZINC001316606611 1324564380 /nfs/dbraw/zinc/56/43/80/1324564380.db2.gz WQWWPVFCAOTPOI-INIZCTEOSA-N 1 2 329.444 2.479 20 30 EEEDLO C=CCCC1(C(=O)N2CCC[C@H]([NH2+]Cc3nc(CC)no3)C2)CC1 ZINC001209492702 1324947460 /nfs/dbraw/zinc/94/74/60/1324947460.db2.gz FTHKJBWATGHOEK-AWEZNQCLSA-N 1 2 332.448 2.459 20 30 EEEDLO C[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccn(C)n1 ZINC001307832378 1331551207 /nfs/dbraw/zinc/55/12/07/1331551207.db2.gz MZKGPSRYPNGQAP-OCCSQVGLSA-N 1 2 346.394 2.308 20 30 EEEDLO Cc1cc(C[N@@H+]2CCCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)no1 ZINC001318090807 1332470360 /nfs/dbraw/zinc/47/03/60/1332470360.db2.gz VRXIIQQRFQPVHP-UHFFFAOYSA-N 1 2 341.371 2.475 20 30 EEEDLO Cc1cc(C[N@H+]2CCCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)no1 ZINC001318090807 1332470364 /nfs/dbraw/zinc/47/03/64/1332470364.db2.gz VRXIIQQRFQPVHP-UHFFFAOYSA-N 1 2 341.371 2.475 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)cc3ccccc32)C1 ZINC001333584947 1336079807 /nfs/dbraw/zinc/07/98/07/1336079807.db2.gz UPFKIFQTEWSGPM-QGZVFWFLSA-N 1 2 349.434 2.301 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)cc3ccccc32)C1 ZINC001333584947 1336079813 /nfs/dbraw/zinc/07/98/13/1336079813.db2.gz UPFKIFQTEWSGPM-QGZVFWFLSA-N 1 2 349.434 2.301 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(N)cc3)CC2)cc1 ZINC001338799299 1336910029 /nfs/dbraw/zinc/91/00/29/1336910029.db2.gz PHHKXZSAGAPZBL-UHFFFAOYSA-N 1 2 349.438 2.168 20 30 EEEDLO C=CCN(C)c1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1C ZINC001339903293 1337093502 /nfs/dbraw/zinc/09/35/02/1337093502.db2.gz NSELPCIQMYLKNT-MRXNPFEDSA-N 1 2 327.432 2.011 20 30 EEEDLO C=CCN(C)c1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1C ZINC001339903293 1337093503 /nfs/dbraw/zinc/09/35/03/1337093503.db2.gz NSELPCIQMYLKNT-MRXNPFEDSA-N 1 2 327.432 2.011 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(F)(F)C3)n2CC=C)CC1 ZINC001340195065 1337135724 /nfs/dbraw/zinc/13/57/24/1337135724.db2.gz FNHIWLFJYNDBBT-AWEZNQCLSA-N 1 2 335.402 2.122 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)C1CCN(OC)CC1 ZINC001340389013 1337174320 /nfs/dbraw/zinc/17/43/20/1337174320.db2.gz ACOUMBWCIMLKGU-MRXNPFEDSA-N 1 2 348.495 2.083 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)C1CCN(OC)CC1 ZINC001340389013 1337174321 /nfs/dbraw/zinc/17/43/21/1337174321.db2.gz ACOUMBWCIMLKGU-MRXNPFEDSA-N 1 2 348.495 2.083 20 30 EEEDLO C=CCn1c([C@@H]2C[C@@H]2C)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001340420100 1337179966 /nfs/dbraw/zinc/17/99/66/1337179966.db2.gz KVTZEDDRQQJJKR-DOTOQJQBSA-N 1 2 338.459 2.305 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001340734031 1337237593 /nfs/dbraw/zinc/23/75/93/1337237593.db2.gz YHEANFFJCPJZIJ-UHFFFAOYSA-N 1 2 347.426 2.296 20 30 EEEDLO CC(C)C(C#N)=CNNc1ccc(S(=O)(=O)N2CCCC2)c[nH+]1 ZINC001340950540 1337269322 /nfs/dbraw/zinc/26/93/22/1337269322.db2.gz ICVMFDILPSAFSP-CYBMUJFWSA-N 1 2 335.433 2.060 20 30 EEEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@H](COCC)C1 ZINC001341867900 1337303101 /nfs/dbraw/zinc/30/31/01/1337303101.db2.gz GAMWIBAMSCTPEU-HNNXBMFYSA-N 1 2 344.463 2.041 20 30 EEEDLO C#CCCN(CCOC)c1nnc([C@@H]2CCCC[N@@H+]2C)n1CC1CC1 ZINC001345054214 1337422512 /nfs/dbraw/zinc/42/25/12/1337422512.db2.gz WAYGPUFBURECEA-KRWDZBQOSA-N 1 2 345.491 2.321 20 30 EEEDLO C#CCCN(CCOC)c1nnc([C@@H]2CCCC[N@H+]2C)n1CC1CC1 ZINC001345054214 1337422514 /nfs/dbraw/zinc/42/25/14/1337422514.db2.gz WAYGPUFBURECEA-KRWDZBQOSA-N 1 2 345.491 2.321 20 30 EEEDLO CN(C)c1ncccc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC001647201101 1353185686 /nfs/dbraw/zinc/18/56/86/1353185686.db2.gz RZPFGMQOAYUJMD-UHFFFAOYSA-N 1 2 339.418 2.481 20 30 EEEDLO Cc1nc(N[C@H](CNC(=O)[C@@H](C)C#N)C(C)C)c2c([nH+]1)CCCC2 ZINC001105137396 1366973362 /nfs/dbraw/zinc/97/33/62/1366973362.db2.gz FNVRLSOMMORTRD-BLLLJJGKSA-N 1 2 329.448 2.376 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000980847929 1367034960 /nfs/dbraw/zinc/03/49/60/1367034960.db2.gz MKKIDOKFZJYDFK-OAHLLOKOSA-N 1 2 329.831 2.385 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000980847929 1367034969 /nfs/dbraw/zinc/03/49/69/1367034969.db2.gz MKKIDOKFZJYDFK-OAHLLOKOSA-N 1 2 329.831 2.385 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(F)c(F)ccc1OC ZINC001273542894 1368252700 /nfs/dbraw/zinc/25/27/00/1368252700.db2.gz QIKJLPAVSRGZRE-HUUCEWRRSA-N 1 2 334.366 2.172 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(F)c(F)ccc1OC ZINC001273542894 1368252704 /nfs/dbraw/zinc/25/27/04/1368252704.db2.gz QIKJLPAVSRGZRE-HUUCEWRRSA-N 1 2 334.366 2.172 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(CC)n1 ZINC001110463012 1368494744 /nfs/dbraw/zinc/49/47/44/1368494744.db2.gz NIISKHOAGYOYBU-KURKYZTESA-N 1 2 328.460 2.318 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(CC)n1 ZINC001110463012 1368494748 /nfs/dbraw/zinc/49/47/48/1368494748.db2.gz NIISKHOAGYOYBU-KURKYZTESA-N 1 2 328.460 2.318 20 30 EEEDLO CCCOCC(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195159565 1368504797 /nfs/dbraw/zinc/50/47/97/1368504797.db2.gz OKOJUKIXPVTXTB-UHFFFAOYSA-N 1 2 333.407 2.158 20 30 EEEDLO CCCOCC(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001195159565 1368504801 /nfs/dbraw/zinc/50/48/01/1368504801.db2.gz OKOJUKIXPVTXTB-UHFFFAOYSA-N 1 2 333.407 2.158 20 30 EEEDLO C=C(C)CCC(=O)NC1(C)CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001110600586 1369137203 /nfs/dbraw/zinc/13/72/03/1369137203.db2.gz LXYHKBYODBCYID-UHFFFAOYSA-N 1 2 342.447 2.195 20 30 EEEDLO C#CCN(C(=O)CCC1CC1)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110621275 1369236175 /nfs/dbraw/zinc/23/61/75/1369236175.db2.gz SMPGMSHNVORPRJ-UHFFFAOYSA-N 1 2 326.444 2.406 20 30 EEEDLO CCOC(=O)[C@]1(C(C)C)CC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000853524345 1369345124 /nfs/dbraw/zinc/34/51/24/1369345124.db2.gz LXXVUQBIOLOONZ-MAUKXSAKSA-N 1 2 335.448 2.007 20 30 EEEDLO CCOC(=O)[C@]1(C(C)C)CC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000853524345 1369345126 /nfs/dbraw/zinc/34/51/26/1369345126.db2.gz LXXVUQBIOLOONZ-MAUKXSAKSA-N 1 2 335.448 2.007 20 30 EEEDLO CCc1nc(N2CCCCC[C@@H]2CNC(=O)[C@@H](C)C#N)cc(C)[nH+]1 ZINC001114359753 1369582940 /nfs/dbraw/zinc/58/29/40/1369582940.db2.gz WFNUPMDANZNADT-DZGCQCFKSA-N 1 2 329.448 2.372 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NC1(CC)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001069454702 1370127809 /nfs/dbraw/zinc/12/78/09/1370127809.db2.gz JTYYOFQJAZTLHZ-JKSUJKDBSA-N 1 2 346.475 2.229 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2cc(C3CC3)cn2)CC[C@@H]1C ZINC001071624427 1370537567 /nfs/dbraw/zinc/53/75/67/1370537567.db2.gz GXAFNXLYXLGBKB-BBRMVZONSA-N 1 2 336.867 2.482 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2cc(C3CC3)cn2)CC[C@@H]1C ZINC001071624427 1370537568 /nfs/dbraw/zinc/53/75/68/1370537568.db2.gz GXAFNXLYXLGBKB-BBRMVZONSA-N 1 2 336.867 2.482 20 30 EEEDLO CC(C)Cc1nnc([C@@H](C)[N@@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)o1 ZINC001072552380 1370738945 /nfs/dbraw/zinc/73/89/45/1370738945.db2.gz OZICHSLBBUNVOT-UONOGXRCSA-N 1 2 345.447 2.023 20 30 EEEDLO CC(C)Cc1nnc([C@@H](C)[N@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)o1 ZINC001072552380 1370738949 /nfs/dbraw/zinc/73/89/49/1370738949.db2.gz OZICHSLBBUNVOT-UONOGXRCSA-N 1 2 345.447 2.023 20 30 EEEDLO C#CCOCCC(=O)N[C@]1(CNc2cc[nH+]c(C)n2)CCCC[C@@H]1C ZINC001103601834 1371034407 /nfs/dbraw/zinc/03/44/07/1371034407.db2.gz LCDAGENGXMDPSH-KXBFYZLASA-N 1 2 344.459 2.302 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](CCNc2[nH+]cnc3c2cnn3C)C1 ZINC001103608751 1371036736 /nfs/dbraw/zinc/03/67/36/1371036736.db2.gz MRGXQACXMWGSLU-CQSZACIVSA-N 1 2 342.447 2.370 20 30 EEEDLO N#Cc1ccc(N[C@H]2CC[C@H](NC(=O)CCn3cc[nH+]c3)CC2)nc1 ZINC001103650535 1371047183 /nfs/dbraw/zinc/04/71/83/1371047183.db2.gz URUBJISOWHXQBJ-WKILWMFISA-N 1 2 338.415 2.079 20 30 EEEDLO C#CCCCCCC(=O)N1CCC[C@](CO)(Nc2cc[nH+]c(C)n2)C1 ZINC001112231615 1371366301 /nfs/dbraw/zinc/36/63/01/1371366301.db2.gz RGPSOAMULPBGJW-IBGZPJMESA-N 1 2 344.459 2.134 20 30 EEEDLO C[C@@H](CCCNc1nccnc1C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC001115025944 1371489489 /nfs/dbraw/zinc/48/94/89/1371489489.db2.gz OYRWJKUADXOINC-ZDUSSCGKSA-N 1 2 349.398 2.007 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1C[C@H]1CCCCO1 ZINC001123205392 1372107624 /nfs/dbraw/zinc/10/76/24/1372107624.db2.gz XCENNOWPEPKWMD-GVDBMIGSSA-N 1 2 345.491 2.462 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@H]2CCCC[N@H+]2C)n1C[C@H]1CCCCO1 ZINC001123205392 1372107628 /nfs/dbraw/zinc/10/76/28/1372107628.db2.gz XCENNOWPEPKWMD-GVDBMIGSSA-N 1 2 345.491 2.462 20 30 EEEDLO C=CCn1cc(C[NH+]2CCN(c3cccc(OCC)n3)CC2)cn1 ZINC001139772850 1372526984 /nfs/dbraw/zinc/52/69/84/1372526984.db2.gz QZGVTDVYCYGHDR-UHFFFAOYSA-N 1 2 327.432 2.185 20 30 EEEDLO CCN(CCNC(=O)c1c[nH]c(C#N)c1)c1cc(C)[nH+]c(C2CC2)n1 ZINC001100492970 1373054778 /nfs/dbraw/zinc/05/47/78/1373054778.db2.gz XHSCKLGVMZDWCQ-UHFFFAOYSA-N 1 2 338.415 2.119 20 30 EEEDLO N#Cc1cccc(NC(=O)C[NH2+][C@@H](CO)c2ccc(F)cc2F)c1 ZINC001414017557 1373232477 /nfs/dbraw/zinc/23/24/77/1373232477.db2.gz IBAQUSVRFFQBFJ-INIZCTEOSA-N 1 2 331.322 2.098 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccccc1-n1ccnn1 ZINC001367868559 1374292684 /nfs/dbraw/zinc/29/26/84/1374292684.db2.gz MYIHXJURNYGWNZ-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1-n1ccnn1 ZINC001367868559 1374292687 /nfs/dbraw/zinc/29/26/87/1374292687.db2.gz MYIHXJURNYGWNZ-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)C[C@H]1CCOC1 ZINC001374531115 1376908567 /nfs/dbraw/zinc/90/85/67/1376908567.db2.gz TXQNDRZWJJCQGM-OAHLLOKOSA-N 1 2 333.407 2.014 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)C[C@H]1CCOC1 ZINC001374531115 1376908577 /nfs/dbraw/zinc/90/85/77/1376908577.db2.gz TXQNDRZWJJCQGM-OAHLLOKOSA-N 1 2 333.407 2.014 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC2CCC2)NC(C)=O)C1 ZINC001377828544 1379537027 /nfs/dbraw/zinc/53/70/27/1379537027.db2.gz DHVBSBGACHNFKU-HZPDHXFCSA-N 1 2 341.883 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC2CCC2)NC(C)=O)C1 ZINC001377828544 1379537032 /nfs/dbraw/zinc/53/70/32/1379537032.db2.gz DHVBSBGACHNFKU-HZPDHXFCSA-N 1 2 341.883 2.014 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC1(O)C[NH+]([C@@H](C)c2ccc3ccccc3c2)C1 ZINC001380579759 1381301329 /nfs/dbraw/zinc/30/13/29/1381301329.db2.gz CMHOWLFVOAGWFE-GJZGRUSLSA-N 1 2 337.423 2.223 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1c(C)[nH]cc1NC(C)=O ZINC001381541647 1381644964 /nfs/dbraw/zinc/64/49/64/1381644964.db2.gz OSUPROKIAUVISH-JTQLQIEISA-N 1 2 326.828 2.084 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1c(C)[nH]cc1NC(C)=O ZINC001381541647 1381644965 /nfs/dbraw/zinc/64/49/65/1381644965.db2.gz OSUPROKIAUVISH-JTQLQIEISA-N 1 2 326.828 2.084 20 30 EEEDLO C[C@@H](NC(=O)COCC1CC1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001381795834 1381807381 /nfs/dbraw/zinc/80/73/81/1381807381.db2.gz XVHKLKPYDZKKPE-CYBMUJFWSA-N 1 2 345.418 2.060 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cnc([C@H]2CCCO2)s1 ZINC001390828478 1388806512 /nfs/dbraw/zinc/80/65/12/1388806512.db2.gz DMDIQERVVAECDD-LLVKDONJSA-N 1 2 329.853 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnc([C@H]2CCCO2)s1 ZINC001390828478 1388806517 /nfs/dbraw/zinc/80/65/17/1388806517.db2.gz DMDIQERVVAECDD-LLVKDONJSA-N 1 2 329.853 2.409 20 30 EEEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)CCC(C)(F)F)CC1 ZINC001391329070 1389265552 /nfs/dbraw/zinc/26/55/52/1389265552.db2.gz LEKRYXUMRHZRFJ-UHFFFAOYSA-N 1 2 337.842 2.250 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001397122004 1391092967 /nfs/dbraw/zinc/09/29/67/1391092967.db2.gz KVTLEQLUEUPKHM-BPNCWPANSA-N 1 2 343.324 2.443 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001397122004 1391092974 /nfs/dbraw/zinc/09/29/74/1391092974.db2.gz KVTLEQLUEUPKHM-BPNCWPANSA-N 1 2 343.324 2.443 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1nc2ccccc2o1 ZINC001753065767 1406660154 /nfs/dbraw/zinc/66/01/54/1406660154.db2.gz FWCSHPRHTRSFAN-KSSFIOAISA-N 1 2 343.427 2.357 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](C)Cc1nc2ccccc2o1 ZINC001753065767 1406660164 /nfs/dbraw/zinc/66/01/64/1406660164.db2.gz FWCSHPRHTRSFAN-KSSFIOAISA-N 1 2 343.427 2.357 20 30 EEEDLO C[N@H+](CCNC(=O)C(C)(C)c1cccnc1)Cc1ccccc1C#N ZINC001399514138 1395186795 /nfs/dbraw/zinc/18/67/95/1395186795.db2.gz HKBKQPNYXQQZGU-UHFFFAOYSA-N 1 2 336.439 2.479 20 30 EEEDLO C[N@@H+](CCNC(=O)C(C)(C)c1cccnc1)Cc1ccccc1C#N ZINC001399514138 1395186805 /nfs/dbraw/zinc/18/68/05/1395186805.db2.gz HKBKQPNYXQQZGU-UHFFFAOYSA-N 1 2 336.439 2.479 20 30 EEEDLO CO[C@H](C)CC(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001399992364 1395780496 /nfs/dbraw/zinc/78/04/96/1395780496.db2.gz MBXHKAPAXCXFAG-CYBMUJFWSA-N 1 2 333.407 2.203 20 30 EEEDLO CO[C@H](C)CC(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001399992364 1395780502 /nfs/dbraw/zinc/78/05/02/1395780502.db2.gz MBXHKAPAXCXFAG-CYBMUJFWSA-N 1 2 333.407 2.203 20 30 EEEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001400195318 1396037934 /nfs/dbraw/zinc/03/79/34/1396037934.db2.gz QRCOCVMPNUXTOF-OAHLLOKOSA-N 1 2 329.916 2.497 20 30 EEEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@H]1CCCOC1 ZINC001401355149 1397186260 /nfs/dbraw/zinc/18/62/60/1397186260.db2.gz ARTBTFYKZGTULD-HNNXBMFYSA-N 1 2 333.407 2.014 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@H]1CCCOC1 ZINC001401355149 1397186265 /nfs/dbraw/zinc/18/62/65/1397186265.db2.gz ARTBTFYKZGTULD-HNNXBMFYSA-N 1 2 333.407 2.014 20 30 EEEDLO C#CCCCC(=O)N[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC001754307808 1406885104 /nfs/dbraw/zinc/88/51/04/1406885104.db2.gz JQWUCAJEHZZMFN-AWEZNQCLSA-N 1 2 333.407 2.004 20 30 EEEDLO C#CCCCC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC001754307808 1406885109 /nfs/dbraw/zinc/88/51/09/1406885109.db2.gz JQWUCAJEHZZMFN-AWEZNQCLSA-N 1 2 333.407 2.004 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CCc2ccncc2)s1 ZINC001401897730 1397648968 /nfs/dbraw/zinc/64/89/68/1397648968.db2.gz ZQWFOJDLLFUCII-OAHLLOKOSA-N 1 2 340.452 2.338 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CCc2ccncc2)s1 ZINC001401897730 1397648974 /nfs/dbraw/zinc/64/89/74/1397648974.db2.gz ZQWFOJDLLFUCII-OAHLLOKOSA-N 1 2 340.452 2.338 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1F)CO2 ZINC001755061637 1407070226 /nfs/dbraw/zinc/07/02/26/1407070226.db2.gz NGKMCRAVSGXLDO-HUUCEWRRSA-N 1 2 348.418 2.129 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](F)Cc1ccccc1)CO2 ZINC001755065328 1407074357 /nfs/dbraw/zinc/07/43/57/1407074357.db2.gz IXWSQGGZGGRDGM-DLBZAZTESA-N 1 2 332.419 2.103 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1c[nH]nc1-c1ccccn1 ZINC001422816339 1400207833 /nfs/dbraw/zinc/20/78/33/1400207833.db2.gz AKDZAFFLWBYTQO-LBPRGKRZSA-N 1 2 333.823 2.274 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1c[nH]nc1-c1ccccn1 ZINC001422816339 1400207837 /nfs/dbraw/zinc/20/78/37/1400207837.db2.gz AKDZAFFLWBYTQO-LBPRGKRZSA-N 1 2 333.823 2.274 20 30 EEEDLO C#CCCCCCC(=O)N1CCN(C2C[NH+](C[C@H](F)CC)C2)CC1 ZINC001755145314 1407157528 /nfs/dbraw/zinc/15/75/28/1407157528.db2.gz JLQUTTMIMOHYMJ-QGZVFWFLSA-N 1 2 337.483 2.147 20 30 EEEDLO COc1nscc1C[N@@H+]1CC[C@@H](NC(=O)C#CC(C)C)C[C@@H]1C ZINC001755159433 1407164161 /nfs/dbraw/zinc/16/41/61/1407164161.db2.gz GSABYXWFLPPAFP-DZGCQCFKSA-N 1 2 335.473 2.280 20 30 EEEDLO COc1nscc1C[N@H+]1CC[C@@H](NC(=O)C#CC(C)C)C[C@@H]1C ZINC001755159433 1407164165 /nfs/dbraw/zinc/16/41/65/1407164165.db2.gz GSABYXWFLPPAFP-DZGCQCFKSA-N 1 2 335.473 2.280 20 30 EEEDLO CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1c2ccccc2CC[N@H+]1CC#CCOC ZINC001755171643 1407184930 /nfs/dbraw/zinc/18/49/30/1407184930.db2.gz AVNUGKHEGYUBDO-NSISKUIASA-N 1 2 340.467 2.398 20 30 EEEDLO CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1c2ccccc2CC[N@@H+]1CC#CCOC ZINC001755171643 1407184936 /nfs/dbraw/zinc/18/49/36/1407184936.db2.gz AVNUGKHEGYUBDO-NSISKUIASA-N 1 2 340.467 2.398 20 30 EEEDLO C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(F)C(F)(F)F ZINC001755185963 1407191697 /nfs/dbraw/zinc/19/16/97/1407191697.db2.gz AGSLAWDJNOOAJP-MCIONIFRSA-N 1 2 328.309 2.282 20 30 EEEDLO C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](F)C(F)(F)F ZINC001755185963 1407191704 /nfs/dbraw/zinc/19/17/04/1407191704.db2.gz AGSLAWDJNOOAJP-MCIONIFRSA-N 1 2 328.309 2.282 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1nncn1C ZINC001755369106 1407371200 /nfs/dbraw/zinc/37/12/00/1407371200.db2.gz UHTGRHGKMVQWGM-CRAIPNDOSA-N 1 2 333.480 2.278 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CCCCC[N@H+]1Cc1nncn1C ZINC001755369106 1407371203 /nfs/dbraw/zinc/37/12/03/1407371203.db2.gz UHTGRHGKMVQWGM-CRAIPNDOSA-N 1 2 333.480 2.278 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(F)cc2F)C1 ZINC001755375592 1407379405 /nfs/dbraw/zinc/37/94/05/1407379405.db2.gz XJWPZSUWDQTUEO-KPZWWZAWSA-N 1 2 338.398 2.228 20 30 EEEDLO N#CC1(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3F)CC2)CC1 ZINC001606343526 1404800699 /nfs/dbraw/zinc/80/06/99/1404800699.db2.gz PKCDDHZPXJNTRB-UHFFFAOYSA-N 1 2 342.378 2.153 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1CC[N@@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC001732152244 1405929584 /nfs/dbraw/zinc/92/95/84/1405929584.db2.gz WUDQJRSTAHJHSN-AWEZNQCLSA-N 1 2 336.867 2.266 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1CC[N@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC001732152244 1405929592 /nfs/dbraw/zinc/92/95/92/1405929592.db2.gz WUDQJRSTAHJHSN-AWEZNQCLSA-N 1 2 336.867 2.266 20 30 EEEDLO C[N@H+](CCCNC(=O)c1c[nH]c(C#N)c1)Cc1coc(C2CC2)n1 ZINC001751962554 1406150488 /nfs/dbraw/zinc/15/04/88/1406150488.db2.gz HJDMHUKTSATCBK-UHFFFAOYSA-N 1 2 327.388 2.004 20 30 EEEDLO C[N@@H+](CCCNC(=O)c1c[nH]c(C#N)c1)Cc1coc(C2CC2)n1 ZINC001751962554 1406150496 /nfs/dbraw/zinc/15/04/96/1406150496.db2.gz HJDMHUKTSATCBK-UHFFFAOYSA-N 1 2 327.388 2.004 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC(C)C)CC2(C)C)CC1 ZINC001755414477 1407431956 /nfs/dbraw/zinc/43/19/56/1407431956.db2.gz WUQUKNBHMQUWGS-QGZVFWFLSA-N 1 2 349.519 2.332 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)NCC(C)C)CC2(C)C)CC1 ZINC001755414477 1407431961 /nfs/dbraw/zinc/43/19/61/1407431961.db2.gz WUQUKNBHMQUWGS-QGZVFWFLSA-N 1 2 349.519 2.332 20 30 EEEDLO C[C@H](CN(C)C(=O)c1cc(C(F)F)[nH]n1)[NH2+]CC#Cc1ccccc1 ZINC001755604299 1407674611 /nfs/dbraw/zinc/67/46/11/1407674611.db2.gz TZWSWUFEVZQALJ-CYBMUJFWSA-N 1 2 346.381 2.449 20 30 EEEDLO C#CCOCCC(=O)N[C@]12CCC[C@@H]1[N@H+](C/C(Cl)=C/Cl)CC2 ZINC001755700372 1407747268 /nfs/dbraw/zinc/74/72/68/1407747268.db2.gz DQHWGJHOEPFYNN-FTCZOVHISA-N 1 2 345.270 2.459 20 30 EEEDLO C#CCOCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](C/C(Cl)=C/Cl)CC2 ZINC001755700372 1407747271 /nfs/dbraw/zinc/74/72/71/1407747271.db2.gz DQHWGJHOEPFYNN-FTCZOVHISA-N 1 2 345.270 2.459 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CC(=O)NCC3CCC3)[C@H]2C)C1 ZINC001755724197 1407785225 /nfs/dbraw/zinc/78/52/25/1407785225.db2.gz USCVCXZUSCARIB-RDJZCZTQSA-N 1 2 347.503 2.228 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NCC3CCC3)[C@H]2C)C1 ZINC001755724197 1407785231 /nfs/dbraw/zinc/78/52/31/1407785231.db2.gz USCVCXZUSCARIB-RDJZCZTQSA-N 1 2 347.503 2.228 20 30 EEEDLO CCCC[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)NC(=O)C#CC(C)C ZINC001756110726 1408144901 /nfs/dbraw/zinc/14/49/01/1408144901.db2.gz JHUCODSRTWUOFB-IAGOWNOFSA-N 1 2 346.475 2.285 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001756263193 1408268017 /nfs/dbraw/zinc/26/80/17/1408268017.db2.gz ZMWQHHJQQZEHFV-GEVJBBTPSA-N 1 2 344.459 2.127 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001756263193 1408268021 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EEEDLO CC(C)[C@H](CNC(=O)CCc1c[nH]c[nH+]1)Nc1ncc(C#N)cc1F ZINC001105298513 769623661 /nfs/dbraw/zinc/62/36/61/769623661.db2.gz KCHQHPRNPJDSDO-HNNXBMFYSA-N 1 2 344.394 2.001 20 30 EEEDLO CC(C)[C@H](CNC(=O)CCc1c[nH+]c[nH]1)Nc1ncc(C#N)cc1F ZINC001105298513 769623671 /nfs/dbraw/zinc/62/36/71/769623671.db2.gz KCHQHPRNPJDSDO-HNNXBMFYSA-N 1 2 344.394 2.001 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC(n2cc(C[NH2+]C/C=C/Cl)nn2)C1 ZINC001105310070 769677807 /nfs/dbraw/zinc/67/78/07/769677807.db2.gz NSBYTUQVVBCAFF-URWSZGRFSA-N 1 2 337.855 2.106 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](CNc1ccc(C#N)cn1)C(C)(C)C ZINC001125965067 769789951 /nfs/dbraw/zinc/78/99/51/769789951.db2.gz ZJTLLZBCRFPQMK-OAHLLOKOSA-N 1 2 340.431 2.170 20 30 EEEDLO Cc1ncc(C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)[nH]1 ZINC001031581644 769852202 /nfs/dbraw/zinc/85/22/02/769852202.db2.gz FCKAIROANAAVSH-UHFFFAOYSA-N 1 2 342.830 2.085 20 30 EEEDLO Cc1cccnc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031599746 770048997 /nfs/dbraw/zinc/04/89/97/770048997.db2.gz BIUAOFKRFWNCKE-UHFFFAOYSA-N 1 2 338.386 2.263 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3nonc3C)C[C@@H]2C)CC1 ZINC000942600229 782825135 /nfs/dbraw/zinc/82/51/35/782825135.db2.gz MNJJHSCFAKJTGF-XJKSGUPXSA-N 1 2 332.448 2.451 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3nonc3C)C[C@@H]2C)CC1 ZINC000942600229 782825140 /nfs/dbraw/zinc/82/51/40/782825140.db2.gz MNJJHSCFAKJTGF-XJKSGUPXSA-N 1 2 332.448 2.451 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ncccc2O)C1 ZINC001087426090 770349023 /nfs/dbraw/zinc/34/90/23/770349023.db2.gz KYBOHURWRPONKS-IAGOWNOFSA-N 1 2 335.407 2.008 20 30 EEEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ncccc2O)C1 ZINC001087426090 770349032 /nfs/dbraw/zinc/34/90/32/770349032.db2.gz KYBOHURWRPONKS-IAGOWNOFSA-N 1 2 335.407 2.008 20 30 EEEDLO C[C@@H](c1nc2ccccc2o1)[NH+]1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001031622819 770385568 /nfs/dbraw/zinc/38/55/68/770385568.db2.gz IXXRBEOZOJUCAL-LBPRGKRZSA-N 1 2 349.394 2.450 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ZINC001027890264 774062111 /nfs/dbraw/zinc/06/21/11/774062111.db2.gz VCHHNZQUFNQWOA-OAGGEKHMSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C3CC3)no2)C1 ZINC001032047567 783185402 /nfs/dbraw/zinc/18/54/02/783185402.db2.gz HIKIYTXVGIVAPO-WMZOPIPTSA-N 1 2 345.443 2.081 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)c3ccsn3)C2)c1 ZINC001031760234 775070723 /nfs/dbraw/zinc/07/07/23/775070723.db2.gz ZLOJRDKMPQVFNS-UHFFFAOYSA-N 1 2 330.388 2.016 20 30 EEEDLO Cc1ocnc1C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000980797168 775622418 /nfs/dbraw/zinc/62/24/18/775622418.db2.gz PDXPJUABMFKUDV-UHFFFAOYSA-N 1 2 342.374 2.342 20 30 EEEDLO Cc1ocnc1C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000980797168 775622427 /nfs/dbraw/zinc/62/24/27/775622427.db2.gz PDXPJUABMFKUDV-UHFFFAOYSA-N 1 2 342.374 2.342 20 30 EEEDLO C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)CO1 ZINC001031787047 775638807 /nfs/dbraw/zinc/63/88/07/775638807.db2.gz AQMBFINBKVPRIC-WMLDXEAASA-N 1 2 346.858 2.165 20 30 EEEDLO CO[C@H]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031794054 775748611 /nfs/dbraw/zinc/74/86/11/775748611.db2.gz QXOGUSMLFASUKR-AEFFLSMTSA-N 1 2 345.418 2.060 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCOC3)CC2)s1 ZINC000980828977 775775669 /nfs/dbraw/zinc/77/56/69/775775669.db2.gz XZPHKCTWLJMOIH-AWEZNQCLSA-N 1 2 333.457 2.081 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCOC3)CC2)s1 ZINC000980828977 775775674 /nfs/dbraw/zinc/77/56/74/775775674.db2.gz XZPHKCTWLJMOIH-AWEZNQCLSA-N 1 2 333.457 2.081 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C(F)F)n(C)n1 ZINC001028029450 776468100 /nfs/dbraw/zinc/46/81/00/776468100.db2.gz YGJCNTWDEWQZHU-JTQLQIEISA-N 1 2 332.782 2.304 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C(F)F)n(C)n1 ZINC001028029450 776468109 /nfs/dbraw/zinc/46/81/09/776468109.db2.gz YGJCNTWDEWQZHU-JTQLQIEISA-N 1 2 332.782 2.304 20 30 EEEDLO C=C(C)CCC(=O)NCC1(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCC1 ZINC001063259627 790458857 /nfs/dbraw/zinc/45/88/57/790458857.db2.gz HIVXQUVHXBPXOC-CQSZACIVSA-N 1 2 344.459 2.341 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@@H](C)N2CCCCC2=O)CC1 ZINC000981143596 776615634 /nfs/dbraw/zinc/61/56/34/776615634.db2.gz QQFVCHBWKIYHJF-OAHLLOKOSA-N 1 2 341.883 2.064 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@@H](C)N2CCCCC2=O)CC1 ZINC000981143596 776615638 /nfs/dbraw/zinc/61/56/38/776615638.db2.gz QQFVCHBWKIYHJF-OAHLLOKOSA-N 1 2 341.883 2.064 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCCN(c3cc[nH+]c(C)n3)C2)nc1 ZINC001060360332 790482233 /nfs/dbraw/zinc/48/22/33/790482233.db2.gz BIZRGYUJPUUVEU-YOEHRIQHSA-N 1 2 349.438 2.196 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[N@@H+]([C@@H](C)c2cnccn2)CC1 ZINC000981337132 777195879 /nfs/dbraw/zinc/19/58/79/777195879.db2.gz IGDZXUNOMAVRPE-INIZCTEOSA-N 1 2 339.443 2.373 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[N@H+]([C@@H](C)c2cnccn2)CC1 ZINC000981337132 777195885 /nfs/dbraw/zinc/19/58/85/777195885.db2.gz IGDZXUNOMAVRPE-INIZCTEOSA-N 1 2 339.443 2.373 20 30 EEEDLO Cc1ncc(CON=C(N)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000181847132 777833014 /nfs/dbraw/zinc/83/30/14/777833014.db2.gz TWXIZJVYQGSNPH-INIZCTEOSA-N 1 2 346.456 2.141 20 30 EEEDLO Cc1ncc(CON=C(N)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000181847132 777833026 /nfs/dbraw/zinc/83/30/26/777833026.db2.gz TWXIZJVYQGSNPH-INIZCTEOSA-N 1 2 346.456 2.141 20 30 EEEDLO Cc1nocc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001028113278 777928628 /nfs/dbraw/zinc/92/86/28/777928628.db2.gz KDHMGIKIRRSNSH-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nocc1C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001028113278 777928631 /nfs/dbraw/zinc/92/86/31/777928631.db2.gz KDHMGIKIRRSNSH-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO C[C@@H]1OCC[C@]1(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000981676005 777963492 /nfs/dbraw/zinc/96/34/92/777963492.db2.gz JLYPXTPTIIOUCE-KSSFIOAISA-N 1 2 347.484 2.469 20 30 EEEDLO C[C@@H]1OCC[C@]1(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000981676005 777963497 /nfs/dbraw/zinc/96/34/97/777963497.db2.gz JLYPXTPTIIOUCE-KSSFIOAISA-N 1 2 347.484 2.469 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)oc3C)[C@@H]2C)c1 ZINC001088846715 790623250 /nfs/dbraw/zinc/62/32/50/790623250.db2.gz CVCAWBHIAOMZEW-PXAZEXFGSA-N 1 2 338.411 2.061 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)oc3C)[C@@H]2C)c1 ZINC001088846715 790623257 /nfs/dbraw/zinc/62/32/57/790623257.db2.gz CVCAWBHIAOMZEW-PXAZEXFGSA-N 1 2 338.411 2.061 20 30 EEEDLO C[C@@H]1COCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000981905504 778508475 /nfs/dbraw/zinc/50/84/75/778508475.db2.gz MDBOKWHOYWCYGD-APWZRJJASA-N 1 2 341.455 2.265 20 30 EEEDLO C[C@@H]1COCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000981905504 778508480 /nfs/dbraw/zinc/50/84/80/778508480.db2.gz MDBOKWHOYWCYGD-APWZRJJASA-N 1 2 341.455 2.265 20 30 EEEDLO C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1)[C@@H]1CCCO1 ZINC000981912058 778528806 /nfs/dbraw/zinc/52/88/06/778528806.db2.gz LIJHNQPSCIAJSP-YOEHRIQHSA-N 1 2 347.484 2.469 20 30 EEEDLO C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1)[C@@H]1CCCO1 ZINC000981912058 778528809 /nfs/dbraw/zinc/52/88/09/778528809.db2.gz LIJHNQPSCIAJSP-YOEHRIQHSA-N 1 2 347.484 2.469 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1nc(C)ncc1Cl ZINC001028181522 778729567 /nfs/dbraw/zinc/72/95/67/778729567.db2.gz VBDCSCCKJBVKMO-LLVKDONJSA-N 1 2 329.231 2.385 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(C)ncc1Cl ZINC001028181522 778729570 /nfs/dbraw/zinc/72/95/70/778729570.db2.gz VBDCSCCKJBVKMO-LLVKDONJSA-N 1 2 329.231 2.385 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2cc(C3CC3)no2)CC1 ZINC000981994482 778807953 /nfs/dbraw/zinc/80/79/53/778807953.db2.gz LAGVKNJCUOKLBK-AEFFLSMTSA-N 1 2 345.443 2.177 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cc(C3CC3)no2)CC1 ZINC000981994482 778807959 /nfs/dbraw/zinc/80/79/59/778807959.db2.gz LAGVKNJCUOKLBK-AEFFLSMTSA-N 1 2 345.443 2.177 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)Cc2cscn2)CC1 ZINC000982095998 779083606 /nfs/dbraw/zinc/08/36/06/779083606.db2.gz QGOCPKSDCDXZIG-UHFFFAOYSA-N 1 2 340.452 2.292 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)Cc2cscn2)CC1 ZINC000982095998 779083612 /nfs/dbraw/zinc/08/36/12/779083612.db2.gz QGOCPKSDCDXZIG-UHFFFAOYSA-N 1 2 340.452 2.292 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(CC)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106932664 779207182 /nfs/dbraw/zinc/20/71/82/779207182.db2.gz JHSGDNVBWGZZML-QGZVFWFLSA-N 1 2 334.468 2.109 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)c1nccs1 ZINC001028221849 779268324 /nfs/dbraw/zinc/26/83/24/779268324.db2.gz JVHNZUVOMJVQMZ-HNNXBMFYSA-N 1 2 326.425 2.409 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)c1nccs1 ZINC001028221849 779268330 /nfs/dbraw/zinc/26/83/30/779268330.db2.gz JVHNZUVOMJVQMZ-HNNXBMFYSA-N 1 2 326.425 2.409 20 30 EEEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000182632317 779389201 /nfs/dbraw/zinc/38/92/01/779389201.db2.gz WNUYYBYAZNXGBB-LJQANCHMSA-N 1 2 327.428 2.408 20 30 EEEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000182632317 779389206 /nfs/dbraw/zinc/38/92/06/779389206.db2.gz WNUYYBYAZNXGBB-LJQANCHMSA-N 1 2 327.428 2.408 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2nccs2)C1 ZINC001087440792 779834802 /nfs/dbraw/zinc/83/48/02/779834802.db2.gz UXZNEOMRGBBKGP-HZPDHXFCSA-N 1 2 325.437 2.364 20 30 EEEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2nccs2)C1 ZINC001087440792 779834812 /nfs/dbraw/zinc/83/48/12/779834812.db2.gz UXZNEOMRGBBKGP-HZPDHXFCSA-N 1 2 325.437 2.364 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2nc(C)oc2C)cn1 ZINC001028270497 779835434 /nfs/dbraw/zinc/83/54/34/779835434.db2.gz LHXCOVNCMSURGC-KRWDZBQOSA-N 1 2 338.411 2.062 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2nc(C)oc2C)cn1 ZINC001028270497 779835440 /nfs/dbraw/zinc/83/54/40/779835440.db2.gz LHXCOVNCMSURGC-KRWDZBQOSA-N 1 2 338.411 2.062 20 30 EEEDLO CCN(CCNc1ccc(C#N)cn1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001106947602 779865118 /nfs/dbraw/zinc/86/51/18/779865118.db2.gz VIVQZTBYNJBLAW-AWEZNQCLSA-N 1 2 338.415 2.057 20 30 EEEDLO C=C(Cl)CN1C[C@]2(C)CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC000982374111 779903043 /nfs/dbraw/zinc/90/30/43/779903043.db2.gz MMNRUPBQNVQTLH-CALCHBBNSA-N 1 2 336.867 2.114 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@]2(C)C[N@@H+](Cc3nnc(C)o3)C[C@]2(C)C1 ZINC000982428756 780104864 /nfs/dbraw/zinc/10/48/64/780104864.db2.gz LBRGMKJHGOYCNP-HDICACEKSA-N 1 2 332.448 2.261 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@]2(C)C[N@H+](Cc3nnc(C)o3)C[C@]2(C)C1 ZINC000982428756 780104871 /nfs/dbraw/zinc/10/48/71/780104871.db2.gz LBRGMKJHGOYCNP-HDICACEKSA-N 1 2 332.448 2.261 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC000941529319 780668357 /nfs/dbraw/zinc/66/83/57/780668357.db2.gz HKYMOCBOXAIWGI-CQSZACIVSA-N 1 2 338.411 2.021 20 30 EEEDLO Cc1c(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)ccn1C ZINC001031957481 780676024 /nfs/dbraw/zinc/67/60/24/780676024.db2.gz VUYNWTMNZLKACG-UHFFFAOYSA-N 1 2 340.402 2.206 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCC[C@H](C)CCC)C2)nn1 ZINC001098679270 780908427 /nfs/dbraw/zinc/90/84/27/780908427.db2.gz WUCRXCZYBVAAFN-SJLPKXTDSA-N 1 2 345.491 2.381 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@@H+](CC=C(Cl)Cl)C[C@H]32)c1 ZINC001075658853 780972485 /nfs/dbraw/zinc/97/24/85/780972485.db2.gz WZQMKDAGQWYKIH-WCQYABFASA-N 1 2 339.226 2.352 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]3C[N@H+](CC=C(Cl)Cl)C[C@H]32)c1 ZINC001075658853 780972489 /nfs/dbraw/zinc/97/24/89/780972489.db2.gz WZQMKDAGQWYKIH-WCQYABFASA-N 1 2 339.226 2.352 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC3(F)F)[C@@H]2C1 ZINC001075768143 781389459 /nfs/dbraw/zinc/38/94/59/781389459.db2.gz BTNMUODOQZACSF-APHBMKBZSA-N 1 2 349.356 2.385 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC3(F)F)[C@@H]2C1 ZINC001075768143 781389466 /nfs/dbraw/zinc/38/94/66/781389466.db2.gz BTNMUODOQZACSF-APHBMKBZSA-N 1 2 349.356 2.385 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cccc(OCC)n2)C1 ZINC001033279484 783332940 /nfs/dbraw/zinc/33/29/40/783332940.db2.gz BAFQBFHKRRJHKU-HNNXBMFYSA-N 1 2 337.851 2.308 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cccc(OCC)n2)C1 ZINC001033279484 783332950 /nfs/dbraw/zinc/33/29/50/783332950.db2.gz BAFQBFHKRRJHKU-HNNXBMFYSA-N 1 2 337.851 2.308 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001033321567 783557435 /nfs/dbraw/zinc/55/74/35/783557435.db2.gz POYPSYRZOKGIJP-MRXNPFEDSA-N 1 2 325.416 2.194 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001033321567 783557443 /nfs/dbraw/zinc/55/74/43/783557443.db2.gz POYPSYRZOKGIJP-MRXNPFEDSA-N 1 2 325.416 2.194 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000945439744 784118268 /nfs/dbraw/zinc/11/82/68/784118268.db2.gz SLFBWQALMYMMNH-HIFRSBDPSA-N 1 2 346.475 2.216 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001035386272 784423629 /nfs/dbraw/zinc/42/36/29/784423629.db2.gz XSMVHTFVBCBDRO-INIZCTEOSA-N 1 2 325.412 2.160 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001035386272 784423633 /nfs/dbraw/zinc/42/36/33/784423633.db2.gz XSMVHTFVBCBDRO-INIZCTEOSA-N 1 2 325.412 2.160 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)cc2F)C1 ZINC001035435993 784523491 /nfs/dbraw/zinc/52/34/91/784523491.db2.gz XQTJVFVGJDDXAN-ZDUSSCGKSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)cc2F)C1 ZINC001035435993 784523496 /nfs/dbraw/zinc/52/34/96/784523496.db2.gz XQTJVFVGJDDXAN-ZDUSSCGKSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2sc(C)nc2CC(C)C)C1 ZINC001035435718 784523570 /nfs/dbraw/zinc/52/35/70/784523570.db2.gz MIABKULSIJMBJN-CQSZACIVSA-N 1 2 337.489 2.267 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2sc(C)nc2CC(C)C)C1 ZINC001035435718 784523578 /nfs/dbraw/zinc/52/35/78/784523578.db2.gz MIABKULSIJMBJN-CQSZACIVSA-N 1 2 337.489 2.267 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2coc3ccc(OC)cc32)C1 ZINC001035441078 784532391 /nfs/dbraw/zinc/53/23/91/784532391.db2.gz VSKZLPONRJQXFO-AWEZNQCLSA-N 1 2 330.384 2.058 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2coc3ccc(OC)cc32)C1 ZINC001035441078 784532394 /nfs/dbraw/zinc/53/23/94/784532394.db2.gz VSKZLPONRJQXFO-AWEZNQCLSA-N 1 2 330.384 2.058 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC001035441652 784533668 /nfs/dbraw/zinc/53/36/68/784533668.db2.gz DINSUIDHMMNBAD-INIZCTEOSA-N 1 2 344.455 2.363 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC001035441652 784533675 /nfs/dbraw/zinc/53/36/75/784533675.db2.gz DINSUIDHMMNBAD-INIZCTEOSA-N 1 2 344.455 2.363 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2C[N@H+](CCOC3CCC3)CCO2)CC1 ZINC001035502040 784601218 /nfs/dbraw/zinc/60/12/18/784601218.db2.gz JIMDVDPMAYECAH-SFHVURJKSA-N 1 2 336.476 2.119 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2C[N@@H+](CCOC3CCC3)CCO2)CC1 ZINC001035502040 784601225 /nfs/dbraw/zinc/60/12/25/784601225.db2.gz JIMDVDPMAYECAH-SFHVURJKSA-N 1 2 336.476 2.119 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2OC2CCC2)C1 ZINC001035497126 784634828 /nfs/dbraw/zinc/63/48/28/784634828.db2.gz SKHZCSJMCLWOEO-MRXNPFEDSA-N 1 2 330.428 2.235 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccccc2OC2CCC2)C1 ZINC001035497126 784634839 /nfs/dbraw/zinc/63/48/39/784634839.db2.gz SKHZCSJMCLWOEO-MRXNPFEDSA-N 1 2 330.428 2.235 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CC=C(C)C)CCO1 ZINC001035539326 784644569 /nfs/dbraw/zinc/64/45/69/784644569.db2.gz HJQBVUQNQIHIQV-BZSNNMDCSA-N 1 2 336.476 2.141 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CC=C(C)C)CCO1 ZINC001035539326 784644573 /nfs/dbraw/zinc/64/45/73/784644573.db2.gz HJQBVUQNQIHIQV-BZSNNMDCSA-N 1 2 336.476 2.141 20 30 EEEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c(C)nn(C)c2s1 ZINC001032549272 791048592 /nfs/dbraw/zinc/04/85/92/791048592.db2.gz XVKDWFMJZAMDQR-STQMWFEESA-N 1 2 330.457 2.418 20 30 EEEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c(C)nn(C)c2s1 ZINC001032549272 791048599 /nfs/dbraw/zinc/04/85/99/791048599.db2.gz XVKDWFMJZAMDQR-STQMWFEESA-N 1 2 330.457 2.418 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ncc(Cl)cc2Cl)C1 ZINC001035558863 784731069 /nfs/dbraw/zinc/73/10/69/784731069.db2.gz RMCRCHCRVXXHHH-GFCCVEGCSA-N 1 2 344.242 2.395 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ncc(Cl)cc2Cl)C1 ZINC001035558863 784731074 /nfs/dbraw/zinc/73/10/74/784731074.db2.gz RMCRCHCRVXXHHH-GFCCVEGCSA-N 1 2 344.242 2.395 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)c(F)cc2Cl)C1 ZINC001035585650 784791310 /nfs/dbraw/zinc/79/13/10/784791310.db2.gz AAJNIXGAHIYQHV-ZDUSSCGKSA-N 1 2 338.810 2.241 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)c(F)cc2Cl)C1 ZINC001035585650 784791320 /nfs/dbraw/zinc/79/13/20/784791320.db2.gz AAJNIXGAHIYQHV-ZDUSSCGKSA-N 1 2 338.810 2.241 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907815114 784882218 /nfs/dbraw/zinc/88/22/18/784882218.db2.gz IVSOZVLCHUXXMB-UKRRQHHQSA-N 1 2 329.444 2.469 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907815114 784882226 /nfs/dbraw/zinc/88/22/26/784882226.db2.gz IVSOZVLCHUXXMB-UKRRQHHQSA-N 1 2 329.444 2.469 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907815113 784882488 /nfs/dbraw/zinc/88/24/88/784882488.db2.gz IVSOZVLCHUXXMB-HIFRSBDPSA-N 1 2 329.444 2.469 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907815113 784882492 /nfs/dbraw/zinc/88/24/92/784882492.db2.gz IVSOZVLCHUXXMB-HIFRSBDPSA-N 1 2 329.444 2.469 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc3nncn3c1)CC2 ZINC001035816710 785167810 /nfs/dbraw/zinc/16/78/10/785167810.db2.gz MZQUFUHLHUKOMM-UHFFFAOYSA-N 1 2 345.834 2.020 20 30 EEEDLO C=CC[NH+](CC=C)[C@@H](CNCc1ccc(-c2nn[nH]n2)o1)C(C)C ZINC000819744149 785669649 /nfs/dbraw/zinc/66/96/49/785669649.db2.gz YAKCEOPNWXERQJ-HNNXBMFYSA-N 1 2 330.436 2.248 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)/C=C(\C)CC)CC2)C1 ZINC001105707206 785880101 /nfs/dbraw/zinc/88/01/01/785880101.db2.gz RFKWDBQYPZNZHA-DTQAZKPQSA-N 1 2 336.476 2.237 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C3(C)C(C)(C)C3(C)C)nn2)C1 ZINC001107243981 786573453 /nfs/dbraw/zinc/57/34/53/786573453.db2.gz KJPPKWGLLBEBMR-UHFFFAOYSA-N 1 2 345.491 2.399 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC/C=C\CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107235615 786583749 /nfs/dbraw/zinc/58/37/49/786583749.db2.gz KGOYSJGNBIYIKT-GXMNPTEKSA-N 1 2 330.432 2.338 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@]3(C)CC=C(C)CC3)nn2)C1 ZINC001107238399 786590866 /nfs/dbraw/zinc/59/08/66/786590866.db2.gz VCUKOUVSXRLYPP-GOSISDBHSA-N 1 2 329.448 2.074 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C\CNc1cccc(F)c1C#N ZINC001107549784 787576836 /nfs/dbraw/zinc/57/68/36/787576836.db2.gz RXXQJVUQKDZITD-XQJDBVBESA-N 1 2 341.390 2.384 20 30 EEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C\CNc1cccc(F)c1C#N ZINC001107549784 787576846 /nfs/dbraw/zinc/57/68/46/787576846.db2.gz RXXQJVUQKDZITD-XQJDBVBESA-N 1 2 341.390 2.384 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001062239103 787699231 /nfs/dbraw/zinc/69/92/31/787699231.db2.gz PMORWFZJJVARFC-NVXWUHKLSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001062239103 787699238 /nfs/dbraw/zinc/69/92/38/787699238.db2.gz PMORWFZJJVARFC-NVXWUHKLSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001062302538 787860591 /nfs/dbraw/zinc/86/05/91/787860591.db2.gz UHXZVMMWMGADJY-QGZVFWFLSA-N 1 2 346.475 2.206 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)c(CC)o2)[C@H](O)C1 ZINC001090722395 787911881 /nfs/dbraw/zinc/91/18/81/787911881.db2.gz LAMFGYQEGMFKAX-QWHCGFSZSA-N 1 2 326.824 2.068 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(CC)o2)[C@H](O)C1 ZINC001090722395 787911886 /nfs/dbraw/zinc/91/18/86/787911886.db2.gz LAMFGYQEGMFKAX-QWHCGFSZSA-N 1 2 326.824 2.068 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2Cl)[C@@H](O)C1 ZINC001090748668 788034742 /nfs/dbraw/zinc/03/47/42/788034742.db2.gz YLIZVADBIJSGAT-KGLIPLIRSA-N 1 2 329.227 2.258 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2Cl)[C@@H](O)C1 ZINC001090748668 788034750 /nfs/dbraw/zinc/03/47/50/788034750.db2.gz YLIZVADBIJSGAT-KGLIPLIRSA-N 1 2 329.227 2.258 20 30 EEEDLO C[C@@]1(CNC(=O)C2CCCC2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107680117 788040565 /nfs/dbraw/zinc/04/05/65/788040565.db2.gz OZPFERYWQNINPV-HXUWFJFHSA-N 1 2 341.455 2.456 20 30 EEEDLO C[C@@]1(CNC(=O)C2CCCC2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107680117 788040574 /nfs/dbraw/zinc/04/05/74/788040574.db2.gz OZPFERYWQNINPV-HXUWFJFHSA-N 1 2 341.455 2.456 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c3ccccc23)[C@H](O)C1 ZINC001090752430 788073570 /nfs/dbraw/zinc/07/35/70/788073570.db2.gz UHFDLIKSTDAZIQ-DLBZAZTESA-N 1 2 347.846 2.014 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c3ccccc23)[C@H](O)C1 ZINC001090752430 788073579 /nfs/dbraw/zinc/07/35/79/788073579.db2.gz UHFDLIKSTDAZIQ-DLBZAZTESA-N 1 2 347.846 2.014 20 30 EEEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cn3ccccc3n1)CC2 ZINC001136878190 788176409 /nfs/dbraw/zinc/17/64/09/788176409.db2.gz PAOGGIXKLVUVJZ-UHFFFAOYSA-N 1 2 337.427 2.329 20 30 EEEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cn3ccccc3n1)CC2 ZINC001136878190 788176414 /nfs/dbraw/zinc/17/64/14/788176414.db2.gz PAOGGIXKLVUVJZ-UHFFFAOYSA-N 1 2 337.427 2.329 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3o2)[C@@H](O)C1 ZINC001090782711 788237461 /nfs/dbraw/zinc/23/74/61/788237461.db2.gz HCSDWMWOEZZXIH-KBPBESRZSA-N 1 2 334.803 2.350 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3ccccc3o2)[C@@H](O)C1 ZINC001090782711 788237467 /nfs/dbraw/zinc/23/74/67/788237467.db2.gz HCSDWMWOEZZXIH-KBPBESRZSA-N 1 2 334.803 2.350 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)c(C)s2)[C@H](O)C1 ZINC001090795393 788305414 /nfs/dbraw/zinc/30/54/14/788305414.db2.gz WIIGKHJTWCFQLX-QWHCGFSZSA-N 1 2 328.865 2.282 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(C)s2)[C@H](O)C1 ZINC001090795393 788305422 /nfs/dbraw/zinc/30/54/22/788305422.db2.gz WIIGKHJTWCFQLX-QWHCGFSZSA-N 1 2 328.865 2.282 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2sccc2CC)[C@@H](O)C1 ZINC001090831441 788489738 /nfs/dbraw/zinc/48/97/38/788489738.db2.gz UKBXYSOCTBWWIJ-OLZOCXBDSA-N 1 2 328.865 2.228 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2sccc2CC)[C@@H](O)C1 ZINC001090831441 788489740 /nfs/dbraw/zinc/48/97/40/788489740.db2.gz UKBXYSOCTBWWIJ-OLZOCXBDSA-N 1 2 328.865 2.228 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)c3c2CCC3)[C@@H](O)C1 ZINC001090837832 788507449 /nfs/dbraw/zinc/50/74/49/788507449.db2.gz YEGOGVKJMUUPNE-ROUUACIJSA-N 1 2 348.874 2.401 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c3c2CCC3)[C@@H](O)C1 ZINC001090837832 788507455 /nfs/dbraw/zinc/50/74/55/788507455.db2.gz YEGOGVKJMUUPNE-ROUUACIJSA-N 1 2 348.874 2.401 20 30 EEEDLO C[C@@]1(CNC(=O)CCC2CC2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107827722 788608890 /nfs/dbraw/zinc/60/88/90/788608890.db2.gz YSSRCVCHTJGWIC-HXUWFJFHSA-N 1 2 341.455 2.456 20 30 EEEDLO C[C@@]1(CNC(=O)CCC2CC2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107827722 788608897 /nfs/dbraw/zinc/60/88/97/788608897.db2.gz YSSRCVCHTJGWIC-HXUWFJFHSA-N 1 2 341.455 2.456 20 30 EEEDLO C=CC[N@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)CC2(CCOCC2)C1 ZINC001099581096 788619106 /nfs/dbraw/zinc/61/91/06/788619106.db2.gz KMGPAOREJAJXLK-NWDGAFQWSA-N 1 2 338.345 2.060 20 30 EEEDLO C=CC[N@@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)CC2(CCOCC2)C1 ZINC001099581096 788619109 /nfs/dbraw/zinc/61/91/09/788619109.db2.gz KMGPAOREJAJXLK-NWDGAFQWSA-N 1 2 338.345 2.060 20 30 EEEDLO C#CC[NH+]1CCN(Cc2ccnc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001143693973 788750173 /nfs/dbraw/zinc/75/01/73/788750173.db2.gz YGTLVGQPRRGGOQ-UHFFFAOYSA-N 1 2 330.432 2.179 20 30 EEEDLO C#CCN1CC[NH+](Cc2ccnc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001143693973 788750180 /nfs/dbraw/zinc/75/01/80/788750180.db2.gz YGTLVGQPRRGGOQ-UHFFFAOYSA-N 1 2 330.432 2.179 20 30 EEEDLO C[C@@]1(CNC(=O)C2=CCCC2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107866614 788900697 /nfs/dbraw/zinc/90/06/97/788900697.db2.gz QXKVBTHOBHLCNU-HXUWFJFHSA-N 1 2 339.439 2.376 20 30 EEEDLO C[C@@]1(CNC(=O)C2=CCCC2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107866614 788900702 /nfs/dbraw/zinc/90/07/02/788900702.db2.gz QXKVBTHOBHLCNU-HXUWFJFHSA-N 1 2 339.439 2.376 20 30 EEEDLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000805922543 788921389 /nfs/dbraw/zinc/92/13/89/788921389.db2.gz IMSZKOLXZBLPGO-CQSZACIVSA-N 1 2 342.374 2.043 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(-c3ccncc3)on2)C1 ZINC000951573584 789053147 /nfs/dbraw/zinc/05/31/47/789053147.db2.gz JQANRTZJURWGIQ-UHFFFAOYSA-N 1 2 326.400 2.459 20 30 EEEDLO C=CC[C@@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1CC(=O)OC ZINC001144016976 789156739 /nfs/dbraw/zinc/15/67/39/789156739.db2.gz DHMICCDLSLOOOZ-AEFFLSMTSA-N 1 2 344.455 2.475 20 30 EEEDLO C=CC[C@@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1CC(=O)OC ZINC001144016976 789156746 /nfs/dbraw/zinc/15/67/46/789156746.db2.gz DHMICCDLSLOOOZ-AEFFLSMTSA-N 1 2 344.455 2.475 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)CC(F)(F)F)CC2)C1 ZINC001105717405 789218848 /nfs/dbraw/zinc/21/88/48/789218848.db2.gz NIZWYHRNMVCKAW-GFCCVEGCSA-N 1 2 334.382 2.453 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC(OC3C[NH+](CCOCC)C3)CC2)C1 ZINC001105723618 789255459 /nfs/dbraw/zinc/25/54/59/789255459.db2.gz BWXIMHVJLNQZPA-UHFFFAOYSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CCC(OC2C[NH+](CC=C(C)C)C2)CC1 ZINC001105735874 789312878 /nfs/dbraw/zinc/31/28/78/789312878.db2.gz CFTIPGHCLIGJGU-MRXNPFEDSA-N 1 2 336.476 2.236 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)CCC(=O)c2ccc(OC)c(F)c2)C1 ZINC000923568340 789790201 /nfs/dbraw/zinc/79/02/01/789790201.db2.gz GDAAFLBZEZOUDI-HNNXBMFYSA-N 1 2 346.402 2.011 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)CCC(=O)c2ccc(OC)c(F)c2)C1 ZINC000923568340 789790206 /nfs/dbraw/zinc/79/02/06/789790206.db2.gz GDAAFLBZEZOUDI-HNNXBMFYSA-N 1 2 346.402 2.011 20 30 EEEDLO 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/nfs/dbraw/zinc/74/34/71/798743471.db2.gz VFVQQYTXMKQDLS-QZTJIDSGSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCOCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)CCC)C1 ZINC001177499843 798987288 /nfs/dbraw/zinc/98/72/88/798987288.db2.gz GGEYQUKRYPBFFL-UHFFFAOYSA-N 1 2 346.471 2.065 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NCc1cnn2c1C[N@H+](CCCF)CC2 ZINC001128362904 799036481 /nfs/dbraw/zinc/03/64/81/799036481.db2.gz MUNFZGDRZQMJLT-UHFFFAOYSA-N 1 2 342.846 2.453 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NCc1cnn2c1C[N@@H+](CCCF)CC2 ZINC001128362904 799036487 /nfs/dbraw/zinc/03/64/87/799036487.db2.gz MUNFZGDRZQMJLT-UHFFFAOYSA-N 1 2 342.846 2.453 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)C=C(C)C)C2)CC1 ZINC001065682979 799339821 /nfs/dbraw/zinc/33/98/21/799339821.db2.gz QRARNMGRRUVELW-KRWDZBQOSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C(C)(C)CC=C)CC2)C1 ZINC001065693725 799372003 /nfs/dbraw/zinc/37/20/03/799372003.db2.gz GSDNPXNAMRRDPU-QGZVFWFLSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C(C)(C)C(=C)C)CC2)C1 ZINC001065694453 799372908 /nfs/dbraw/zinc/37/29/08/799372908.db2.gz MSOJHOVKTFSMBU-QGZVFWFLSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C3(CC)CCC3)CC2)C1 ZINC001065695644 799375638 /nfs/dbraw/zinc/37/56/38/799375638.db2.gz YDUUFDLEOGYYDZ-QGZVFWFLSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)C(C)(C)C3CC3)C2)CC1 ZINC001065710757 799407500 /nfs/dbraw/zinc/40/75/00/799407500.db2.gz DWUCMHNDHMPDFO-KRWDZBQOSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001065712022 799409542 /nfs/dbraw/zinc/40/95/42/799409542.db2.gz TWMMKANMZKRAII-SJORKVTESA-N 1 2 349.519 2.380 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)Nc3cc[nH+]c(C)n3)C2)nc1 ZINC001065726718 799438039 /nfs/dbraw/zinc/43/80/39/799438039.db2.gz RRCWMQNHDVEQGF-CZUORRHYSA-N 1 2 335.411 2.124 20 30 EEEDLO CCOC(=O)c1cc(C#N)c(NC(=O)[C@@H]2CCCC[N@@H+]2C)c(C)c1O ZINC001178696268 799591181 /nfs/dbraw/zinc/59/11/81/799591181.db2.gz FHNCXCGKKKAKJC-AWEZNQCLSA-N 1 2 345.399 2.172 20 30 EEEDLO CCOC(=O)c1cc(C#N)c(NC(=O)[C@@H]2CCCC[N@H+]2C)c(C)c1O ZINC001178696268 799591186 /nfs/dbraw/zinc/59/11/86/799591186.db2.gz FHNCXCGKKKAKJC-AWEZNQCLSA-N 1 2 345.399 2.172 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C1 ZINC001066034401 799877614 /nfs/dbraw/zinc/87/76/14/799877614.db2.gz UGDXQSQUMRHPBG-OKILXGFUSA-N 1 2 334.851 2.458 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(Cl)ccc2F)C1 ZINC001108058502 799997863 /nfs/dbraw/zinc/99/78/63/799997863.db2.gz AZUFPRKKYXIQFS-INIZCTEOSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(Cl)ccc2F)C1 ZINC001108058502 799997869 /nfs/dbraw/zinc/99/78/69/799997869.db2.gz AZUFPRKKYXIQFS-INIZCTEOSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2c(C)n[nH]c2C)CC1 ZINC001003804486 800231870 /nfs/dbraw/zinc/23/18/70/800231870.db2.gz IYPDQKMCSKCUTP-UHFFFAOYSA-N 1 2 341.253 2.129 20 30 EEEDLO Cc1nc(N2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)c(C)c(C)[nH+]1 ZINC001061337142 800364418 /nfs/dbraw/zinc/36/44/18/800364418.db2.gz SVKNANSIRAZGFT-HNNXBMFYSA-N 1 2 338.415 2.000 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)C1CCOCC1 ZINC001085454992 800534938 /nfs/dbraw/zinc/53/49/38/800534938.db2.gz ZIFLVEAXBXEWGF-SFHVURJKSA-N 1 2 327.428 2.018 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)C1CCOCC1 ZINC001085454992 800534944 /nfs/dbraw/zinc/53/49/44/800534944.db2.gz ZIFLVEAXBXEWGF-SFHVURJKSA-N 1 2 327.428 2.018 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1CCCOCC1 ZINC001085571554 800801293 /nfs/dbraw/zinc/80/12/93/800801293.db2.gz GODGEJICBIXIHM-APWZRJJASA-N 1 2 341.455 2.408 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1CCCOCC1 ZINC001085571554 800801299 /nfs/dbraw/zinc/80/12/99/800801299.db2.gz GODGEJICBIXIHM-APWZRJJASA-N 1 2 341.455 2.408 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2[C@H](C)c2cnccn2)cc1 ZINC001085756830 801196835 /nfs/dbraw/zinc/19/68/35/801196835.db2.gz RLCPOXXARUGXKL-CRAIPNDOSA-N 1 2 334.423 2.365 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@H](C)c2cnccn2)cc1 ZINC001085756830 801196839 /nfs/dbraw/zinc/19/68/39/801196839.db2.gz RLCPOXXARUGXKL-CRAIPNDOSA-N 1 2 334.423 2.365 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2cc(OC)ccn2)cc1 ZINC001085757007 801197632 /nfs/dbraw/zinc/19/76/32/801197632.db2.gz WPYIGIRFLKCLKK-LJQANCHMSA-N 1 2 349.434 2.418 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2cc(OC)ccn2)cc1 ZINC001085757007 801197637 /nfs/dbraw/zinc/19/76/37/801197637.db2.gz WPYIGIRFLKCLKK-LJQANCHMSA-N 1 2 349.434 2.418 20 30 EEEDLO Cc1nc(C)c(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)[nH]1 ZINC001085823269 801373815 /nfs/dbraw/zinc/37/38/15/801373815.db2.gz DTNHAPGGJKHBCL-ZDUSSCGKSA-N 1 2 343.456 2.306 20 30 EEEDLO Cc1nc(C)c(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)[nH]1 ZINC001085823269 801373822 /nfs/dbraw/zinc/37/38/22/801373822.db2.gz DTNHAPGGJKHBCL-ZDUSSCGKSA-N 1 2 343.456 2.306 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnccc1C(F)(F)F ZINC001085844416 801417954 /nfs/dbraw/zinc/41/79/54/801417954.db2.gz MWCBDRAXXSPFGZ-GFCCVEGCSA-N 1 2 325.334 2.270 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnccc1C(F)(F)F ZINC001085844416 801417955 /nfs/dbraw/zinc/41/79/55/801417955.db2.gz MWCBDRAXXSPFGZ-GFCCVEGCSA-N 1 2 325.334 2.270 20 30 EEEDLO C#CCC1(C(=O)N2CC[C@@H]([NH2+]Cc3nc(C(C)(C)C)no3)C2)CCC1 ZINC001183185572 801502770 /nfs/dbraw/zinc/50/27/70/801502770.db2.gz MTWVQJUMBPSLNJ-CQSZACIVSA-N 1 2 344.459 2.251 20 30 EEEDLO Cn1nc(C2CC2)cc1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004447097 802067258 /nfs/dbraw/zinc/06/72/58/802067258.db2.gz PRGFVAKJRRHFTC-QGZVFWFLSA-N 1 2 341.459 2.138 20 30 EEEDLO Cn1nc(C2CC2)cc1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004447097 802067262 /nfs/dbraw/zinc/06/72/62/802067262.db2.gz PRGFVAKJRRHFTC-QGZVFWFLSA-N 1 2 341.459 2.138 20 30 EEEDLO Cn1nc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)cc1C1CC1 ZINC001004454964 802111567 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CC(C)n1cnc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c1 ZINC001004500991 802252227 /nfs/dbraw/zinc/25/22/27/802252227.db2.gz WUDQGOUIXLOGBO-KRWDZBQOSA-N 1 2 329.448 2.304 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC001004626783 802502038 /nfs/dbraw/zinc/50/20/38/802502038.db2.gz ZJOHNESYJYEMNI-GOSISDBHSA-N 1 2 345.418 2.431 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC001004626783 802502045 /nfs/dbraw/zinc/50/20/45/802502045.db2.gz ZJOHNESYJYEMNI-GOSISDBHSA-N 1 2 345.418 2.431 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001066462535 802619656 /nfs/dbraw/zinc/61/96/56/802619656.db2.gz HYUXWBVEQARVFY-MRXNPFEDSA-N 1 2 346.475 2.206 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001108351998 803353516 /nfs/dbraw/zinc/35/35/16/803353516.db2.gz SABPSIGPZYQREV-NLWGTHIKSA-N 1 2 326.440 2.021 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001108351998 803353523 /nfs/dbraw/zinc/35/35/23/803353523.db2.gz SABPSIGPZYQREV-NLWGTHIKSA-N 1 2 326.440 2.021 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(Cl)cn2CC)C1 ZINC001108403189 803482582 /nfs/dbraw/zinc/48/25/82/803482582.db2.gz USDCTLSFAJXKQI-INIZCTEOSA-N 1 2 325.840 2.168 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(Cl)cn2CC)C1 ZINC001108403189 803482584 /nfs/dbraw/zinc/48/25/84/803482584.db2.gz USDCTLSFAJXKQI-INIZCTEOSA-N 1 2 325.840 2.168 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001108432369 803554783 /nfs/dbraw/zinc/55/47/83/803554783.db2.gz IJROSVYCQGNTRJ-XEVCZEQESA-N 1 2 332.488 2.433 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001108432369 803554788 /nfs/dbraw/zinc/55/47/88/803554788.db2.gz IJROSVYCQGNTRJ-XEVCZEQESA-N 1 2 332.488 2.433 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)CCCCC(C)C)CC2=O)C1 ZINC001108581152 804191591 /nfs/dbraw/zinc/19/15/91/804191591.db2.gz JLCGRJFGCCWOGL-INIZCTEOSA-N 1 2 335.492 2.180 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C(C)(C)CC(C)(C)C)CC2=O)C1 ZINC001108592350 804264291 /nfs/dbraw/zinc/26/42/91/804264291.db2.gz SYBFKBCVJXGNTG-AWEZNQCLSA-N 1 2 335.492 2.036 20 30 EEEDLO Cc1cc(N(C)C[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)nc(C2CC2)[nH+]1 ZINC001108899395 804652149 /nfs/dbraw/zinc/65/21/49/804652149.db2.gz MEDSSSQGTHHAGR-GFCCVEGCSA-N 1 2 338.415 2.117 20 30 EEEDLO Cc1nc(N(C)C[C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)ccc1C#N ZINC001109312793 805302180 /nfs/dbraw/zinc/30/21/80/805302180.db2.gz LDTCCCOMMHTJQO-LBPRGKRZSA-N 1 2 348.410 2.393 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[C@H](C)CCC)C2 ZINC001109332931 805311683 /nfs/dbraw/zinc/31/16/83/805311683.db2.gz ILXOAMVJIVHLJH-BDXSIMOUSA-N 1 2 347.503 2.064 20 30 EEEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[C@H](C)CCC)C2 ZINC001109332931 805311692 /nfs/dbraw/zinc/31/16/92/805311692.db2.gz ILXOAMVJIVHLJH-BDXSIMOUSA-N 1 2 347.503 2.064 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCCC[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001109341864 805325316 /nfs/dbraw/zinc/32/53/16/805325316.db2.gz LIOTWTNEJZNQDH-ZFWWWQNUSA-N 1 2 342.447 2.416 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCCC[C@@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001109342140 805326581 /nfs/dbraw/zinc/32/65/81/805326581.db2.gz PGNOWWOGSAMHRE-HUUCEWRRSA-N 1 2 346.479 2.299 20 30 EEEDLO C=CCCCC(=O)N(CCO)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001111549521 805455528 /nfs/dbraw/zinc/45/55/28/805455528.db2.gz VHUZTMXVJOAQSD-UHFFFAOYSA-N 1 2 332.448 2.252 20 30 EEEDLO Cc1nc(N(C)C[C@H]2CCCN2C(=O)CSCC#N)c(C)c(C)[nH+]1 ZINC001112779562 807207561 /nfs/dbraw/zinc/20/75/61/807207561.db2.gz CMMWZALCSDRJIJ-OAHLLOKOSA-N 1 2 347.488 2.086 20 30 EEEDLO C[C@H](CC(=O)NC1CC(CNc2ncccc2C#N)C1)n1cc[nH+]c1 ZINC001112871647 807516912 /nfs/dbraw/zinc/51/69/12/807516912.db2.gz FFMMAUZGODKMFJ-VQCLRJIVSA-N 1 2 338.415 2.108 20 30 EEEDLO Cc1noc(C)c1CN(C)CC#CC[N@H+](C)Cc1c(C)noc1C ZINC000788474890 807542771 /nfs/dbraw/zinc/54/27/71/807542771.db2.gz LOOLDIGTLSETFA-UHFFFAOYSA-N 1 2 330.432 2.463 20 30 EEEDLO Cc1noc(C)c1CN(C)CC#CC[N@@H+](C)Cc1c(C)noc1C ZINC000788474890 807542777 /nfs/dbraw/zinc/54/27/77/807542777.db2.gz LOOLDIGTLSETFA-UHFFFAOYSA-N 1 2 330.432 2.463 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](C)OCc2ccccc2C)CC1 ZINC001113169708 808348551 /nfs/dbraw/zinc/34/85/51/808348551.db2.gz SPPNXPKATUICMU-GOSISDBHSA-N 1 2 346.471 2.247 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](CCOCCC(C)C)CC2)cc1 ZINC001113182091 808367470 /nfs/dbraw/zinc/36/74/70/808367470.db2.gz XXHGBXALTUHHFU-UHFFFAOYSA-N 1 2 328.456 2.488 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](C[C@@H](O)c2cccc(OC)c2)CC1 ZINC001113247765 808536726 /nfs/dbraw/zinc/53/67/26/808536726.db2.gz FEOXVDFWMDNUHD-VQIMIIECSA-N 1 2 346.471 2.475 20 30 EEEDLO C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H](C)Nc1ccc(C#N)cn1 ZINC001113350744 808762497 /nfs/dbraw/zinc/76/24/97/808762497.db2.gz XYSCDDBZJOVQMG-VXGBXAGGSA-N 1 2 334.383 2.448 20 30 EEEDLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H](C)Nc1cccc(F)c1C#N ZINC001113351806 808811760 /nfs/dbraw/zinc/81/17/60/808811760.db2.gz HRHGGAOUSGSCBL-NWDGAFQWSA-N 1 2 329.379 2.358 20 30 EEEDLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H](C)Nc1cccc(F)c1C#N ZINC001113351806 808811765 /nfs/dbraw/zinc/81/17/65/808811765.db2.gz HRHGGAOUSGSCBL-NWDGAFQWSA-N 1 2 329.379 2.358 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnn(C(C)(C)C)c2CC)CC1 ZINC001113635531 809399738 /nfs/dbraw/zinc/39/97/38/809399738.db2.gz DWZFIHHYQGSGED-UHFFFAOYSA-N 1 2 348.491 2.161 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC001113712825 809618180 /nfs/dbraw/zinc/61/81/80/809618180.db2.gz GNGNLHMEBUGPHS-AWEZNQCLSA-N 1 2 338.398 2.243 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001113713010 809619052 /nfs/dbraw/zinc/61/90/52/809619052.db2.gz JNYJPZHBZQERRM-CHWSQXEVSA-N 1 2 335.275 2.306 20 30 EEEDLO Cc1nc(N(C)[C@@H](C)CNC(=O)c2cccc3[nH+]ccn32)ccc1C#N ZINC001113778954 809746355 /nfs/dbraw/zinc/74/63/55/809746355.db2.gz SIEDJFAGJCLRGY-ZDUSSCGKSA-N 1 2 348.410 2.164 20 30 EEEDLO Cc1cc(N(C)[C@H](C)CNC(=O)c2cccc3[nH+]ccn32)c(C#N)cn1 ZINC001113779148 809747082 /nfs/dbraw/zinc/74/70/82/809747082.db2.gz YEXHNXQLDZGZIP-CQSZACIVSA-N 1 2 348.410 2.164 20 30 EEEDLO CC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C[C@@H]2O)CCCC1 ZINC001090469794 809945026 /nfs/dbraw/zinc/94/50/26/809945026.db2.gz VIRWNCYMWWWLEA-MSOLQXFVSA-N 1 2 341.455 2.190 20 30 EEEDLO CC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@@H]2O)CCCC1 ZINC001090469794 809945030 /nfs/dbraw/zinc/94/50/30/809945030.db2.gz VIRWNCYMWWWLEA-MSOLQXFVSA-N 1 2 341.455 2.190 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1ncc[nH]1 ZINC001157913341 811154109 /nfs/dbraw/zinc/15/41/09/811154109.db2.gz CNODBJDBUHMAIT-GFCCVEGCSA-N 1 2 341.253 2.245 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ncc[nH]1 ZINC001157913341 811154113 /nfs/dbraw/zinc/15/41/13/811154113.db2.gz CNODBJDBUHMAIT-GFCCVEGCSA-N 1 2 341.253 2.245 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@H+](Cc3nccs3)C2)C1 ZINC001131646348 813072983 /nfs/dbraw/zinc/07/29/83/813072983.db2.gz UETQCCASNHDWJJ-RHSMWYFYSA-N 1 2 335.473 2.301 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@@H+](Cc3nccs3)C2)C1 ZINC001131646348 813072991 /nfs/dbraw/zinc/07/29/91/813072991.db2.gz UETQCCASNHDWJJ-RHSMWYFYSA-N 1 2 335.473 2.301 20 30 EEEDLO CC(C)c1nnsc1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001437539142 1089986564 /nfs/dbraw/zinc/98/65/64/1089986564.db2.gz OQCGJKINTJWKSE-UHFFFAOYSA-N 1 2 343.456 2.395 20 30 EEEDLO CC(C)c1nnsc1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001437539142 1089986578 /nfs/dbraw/zinc/98/65/78/1089986578.db2.gz OQCGJKINTJWKSE-UHFFFAOYSA-N 1 2 343.456 2.395 20 30 EEEDLO CC[N@H+](CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC001437586379 1090078433 /nfs/dbraw/zinc/07/84/33/1090078433.db2.gz FGBIECFPAZKREH-KBPBESRZSA-N 1 2 341.415 2.395 20 30 EEEDLO CC[N@@H+](CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC001437586379 1090078444 /nfs/dbraw/zinc/07/84/44/1090078444.db2.gz FGBIECFPAZKREH-KBPBESRZSA-N 1 2 341.415 2.395 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccco1 ZINC001442823905 1097213638 /nfs/dbraw/zinc/21/36/38/1097213638.db2.gz STLCANZVPUEMFR-GFCCVEGCSA-N 1 2 327.222 2.311 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccco1 ZINC001442823905 1097213640 /nfs/dbraw/zinc/21/36/40/1097213640.db2.gz STLCANZVPUEMFR-GFCCVEGCSA-N 1 2 327.222 2.311 20 30 EEEDLO CCC[N@H+](CCNC(=O)c1cc(C#N)c[nH]1)[C@@H](C)c1nnc(CC)o1 ZINC001442920984 1097331365 /nfs/dbraw/zinc/33/13/65/1097331365.db2.gz UTVLJIRNZFUCJL-LBPRGKRZSA-N 1 2 344.419 2.035 20 30 EEEDLO CCC[N@@H+](CCNC(=O)c1cc(C#N)c[nH]1)[C@@H](C)c1nnc(CC)o1 ZINC001442920984 1097331370 /nfs/dbraw/zinc/33/13/70/1097331370.db2.gz UTVLJIRNZFUCJL-LBPRGKRZSA-N 1 2 344.419 2.035 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1CCN(C(=O)C(C)C)CC1 ZINC001445021775 1100180427 /nfs/dbraw/zinc/18/04/27/1100180427.db2.gz YKKWBITWQVZVCB-UHFFFAOYSA-N 1 2 343.899 2.024 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1CCN(C(=O)C(C)C)CC1 ZINC001445021775 1100180430 /nfs/dbraw/zinc/18/04/30/1100180430.db2.gz YKKWBITWQVZVCB-UHFFFAOYSA-N 1 2 343.899 2.024 20 30 EEEDLO CC(C)c1noc([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)c2cc(C#N)c[nH]2)n1 ZINC001496031153 1101957699 /nfs/dbraw/zinc/95/76/99/1101957699.db2.gz KMHPSTQTMKSUEL-VXGBXAGGSA-N 1 2 344.419 2.204 20 30 EEEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001515041823 1118930786 /nfs/dbraw/zinc/93/07/86/1118930786.db2.gz FUTYGIVNNAFCKX-AWEZNQCLSA-N 1 2 344.463 2.182 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@H](O)CCCCC)n2CC2CC2)CC1 ZINC001520638765 1119183843 /nfs/dbraw/zinc/18/38/43/1119183843.db2.gz ROZYFIJCUGCAJY-QGZVFWFLSA-N 1 2 345.491 2.057 20 30 EEEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)C[C@H](C)C#N ZINC001524369669 1120079216 /nfs/dbraw/zinc/07/92/16/1120079216.db2.gz YAMKRHQAWIZCNF-CVEARBPZSA-N 1 2 346.479 2.232 20 30 EEEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)C[C@H](C)C#N ZINC001524369669 1120079222 /nfs/dbraw/zinc/07/92/22/1120079222.db2.gz YAMKRHQAWIZCNF-CVEARBPZSA-N 1 2 346.479 2.232 20 30 EEEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@@H]1CCCNC1=O ZINC000328673722 539758401 /nfs/dbraw/zinc/75/84/01/539758401.db2.gz JFIMARHNRMCPPK-CQSZACIVSA-N 1 2 331.420 2.194 20 30 EEEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@]2(C)CCc3ccccc3C2)CC1 ZINC000329638960 539779600 /nfs/dbraw/zinc/77/96/00/539779600.db2.gz WIBHOGVRSFDSII-HXUWFJFHSA-N 1 2 343.471 2.302 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411931137 283228149 /nfs/dbraw/zinc/22/81/49/283228149.db2.gz DTSKCGHEWVXFBO-LSDHHAIUSA-N 1 2 327.409 2.366 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411931137 283228154 /nfs/dbraw/zinc/22/81/54/283228154.db2.gz DTSKCGHEWVXFBO-LSDHHAIUSA-N 1 2 327.409 2.366 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1coc(-c2cccs2)n1 ZINC000078720672 236990571 /nfs/dbraw/zinc/99/05/71/236990571.db2.gz XXSQUGMWZUGRKX-UHFFFAOYSA-N 1 2 346.456 2.451 20 30 EEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000088524333 237019206 /nfs/dbraw/zinc/01/92/06/237019206.db2.gz SHLNIGNZETVHAG-MJGOQNOKSA-N 1 2 340.471 2.270 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccccc1F ZINC000108992612 237130077 /nfs/dbraw/zinc/13/00/77/237130077.db2.gz VHHLRDKYQJBEDA-HNNXBMFYSA-N 1 2 333.407 2.004 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000267276437 201221996 /nfs/dbraw/zinc/22/19/96/201221996.db2.gz UJOCAWXGAJFURI-UHFFFAOYSA-N 1 2 339.208 2.369 20 30 EEEDLO C=CCC[C@H](C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC)c1ccccc1 ZINC000275318500 201279222 /nfs/dbraw/zinc/27/92/22/201279222.db2.gz KSYKXHWSPACSJS-IRXDYDNUSA-N 1 2 341.411 2.360 20 30 EEEDLO C=CCC[C@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC)c1ccccc1 ZINC000275318500 201279225 /nfs/dbraw/zinc/27/92/25/201279225.db2.gz KSYKXHWSPACSJS-IRXDYDNUSA-N 1 2 341.411 2.360 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000276256162 201293364 /nfs/dbraw/zinc/29/33/64/201293364.db2.gz PLKQUVHVLQPTJN-IBGZPJMESA-N 1 2 332.444 2.265 20 30 EEEDLO COCC[NH+](CCOC)Cc1ccc(Br)cc1C#N ZINC000287362031 201332914 /nfs/dbraw/zinc/33/29/14/201332914.db2.gz PTDBBFCDLOVDHC-UHFFFAOYSA-N 1 2 327.222 2.416 20 30 EEEDLO N#C[C@H]1CC[C@@H]([NH2+][C@H](C(N)=O)c2ccc(Br)cc2F)C1 ZINC000424115696 240839081 /nfs/dbraw/zinc/83/90/81/240839081.db2.gz AYGKPWLBNDCIIV-PLMOITTCSA-N 1 2 340.196 2.396 20 30 EEEDLO Cc1c(C#N)cccc1NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000459455270 245128525 /nfs/dbraw/zinc/12/85/25/245128525.db2.gz CQVKBMYNZQXBKP-HNNXBMFYSA-N 1 2 341.415 2.482 20 30 EEEDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1nc2c(s1)CCC2 ZINC000459631946 245192563 /nfs/dbraw/zinc/19/25/63/245192563.db2.gz MLFDLZDQBDWRSE-BMIGLBTASA-N 1 2 326.425 2.381 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183871096 284294434 /nfs/dbraw/zinc/29/44/34/284294434.db2.gz REWRGMKHEMBMLF-IRXDYDNUSA-N 1 2 344.411 2.247 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183871096 284294435 /nfs/dbraw/zinc/29/44/35/284294435.db2.gz REWRGMKHEMBMLF-IRXDYDNUSA-N 1 2 344.411 2.247 20 30 EEEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000156925988 205135211 /nfs/dbraw/zinc/13/52/11/205135211.db2.gz HTFBTDONMIJBPX-XJKSGUPXSA-N 1 2 329.379 2.465 20 30 EEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000156925988 205135214 /nfs/dbraw/zinc/13/52/14/205135214.db2.gz HTFBTDONMIJBPX-XJKSGUPXSA-N 1 2 329.379 2.465 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247280370 205275993 /nfs/dbraw/zinc/27/59/93/205275993.db2.gz STVWVRHUMMFTNJ-LNLFQRSKSA-N 1 2 328.412 2.399 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247280370 205275997 /nfs/dbraw/zinc/27/59/97/205275997.db2.gz STVWVRHUMMFTNJ-LNLFQRSKSA-N 1 2 328.412 2.399 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)CCOc2ccc(F)cc2)n1 ZINC000491764474 246141600 /nfs/dbraw/zinc/14/16/00/246141600.db2.gz ASVKIIILQIAWRR-UHFFFAOYSA-N 1 2 331.391 2.183 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)CCOc2ccc(F)cc2)n1 ZINC000491764474 246141606 /nfs/dbraw/zinc/14/16/06/246141606.db2.gz ASVKIIILQIAWRR-UHFFFAOYSA-N 1 2 331.391 2.183 20 30 EEEDLO Cc1cccc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c1C#N ZINC000156948871 206108694 /nfs/dbraw/zinc/10/86/94/206108694.db2.gz VDWINXWVEGNIGR-UHFFFAOYSA-N 1 2 330.413 2.089 20 30 EEEDLO C=CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000092361079 218136634 /nfs/dbraw/zinc/13/66/34/218136634.db2.gz PUOLOYOJSFHJAB-ZKKXHLJNSA-N 1 2 336.413 2.283 20 30 EEEDLO C=CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000092361079 218136635 /nfs/dbraw/zinc/13/66/35/218136635.db2.gz PUOLOYOJSFHJAB-ZKKXHLJNSA-N 1 2 336.413 2.283 20 30 EEEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@](O)(C(F)(F)F)C3)o2)cc1 ZINC000177285724 207316768 /nfs/dbraw/zinc/31/67/68/207316768.db2.gz UKUCTHATICYTFK-CQSZACIVSA-N 1 2 338.289 2.107 20 30 EEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@](O)(C(F)(F)F)C3)o2)cc1 ZINC000177285724 207316771 /nfs/dbraw/zinc/31/67/71/207316771.db2.gz UKUCTHATICYTFK-CQSZACIVSA-N 1 2 338.289 2.107 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(C)(O)CC1 ZINC000177313108 255889059 /nfs/dbraw/zinc/88/90/59/255889059.db2.gz LHNCZQVGXTYRQA-LLVKDONJSA-N 1 2 333.457 2.282 20 30 EEEDLO N#Cc1c(F)cccc1N1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000273162890 256272054 /nfs/dbraw/zinc/27/20/54/256272054.db2.gz ZZPPXMXUMODOLQ-UHFFFAOYSA-N 1 2 332.770 2.050 20 30 EEEDLO N#Cc1c(F)cccc1N1CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000273162890 256272056 /nfs/dbraw/zinc/27/20/56/256272056.db2.gz ZZPPXMXUMODOLQ-UHFFFAOYSA-N 1 2 332.770 2.050 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccncc3F)CC2)cc1 ZINC000273816782 256329860 /nfs/dbraw/zinc/32/98/60/256329860.db2.gz JUOAECCIMRKNAR-UHFFFAOYSA-N 1 2 339.374 2.442 20 30 EEEDLO C#C[C@@H](NC(=O)NCc1ccc(N(C)C)[nH+]c1)c1ccc(F)cc1 ZINC000491771484 533252747 /nfs/dbraw/zinc/25/27/47/533252747.db2.gz QOODJOWLGHJXCG-MRXNPFEDSA-N 1 2 326.375 2.460 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3cc(=O)n4ccccc4n3)CCO2)c1 ZINC000341810505 161015426 /nfs/dbraw/zinc/01/54/26/161015426.db2.gz OWJRQXUWUAUUCG-GOSISDBHSA-N 1 2 346.390 2.140 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3cc(=O)n4ccccc4n3)CCO2)c1 ZINC000341810505 161015427 /nfs/dbraw/zinc/01/54/27/161015427.db2.gz OWJRQXUWUAUUCG-GOSISDBHSA-N 1 2 346.390 2.140 20 30 EEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000358944034 164020527 /nfs/dbraw/zinc/02/05/27/164020527.db2.gz BQQKCUKXTGDCEX-INIZCTEOSA-N 1 2 349.438 2.271 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)c1cccc(C#N)c1 ZINC000360720755 164369039 /nfs/dbraw/zinc/36/90/39/164369039.db2.gz ZSKIFQLBBIKWTF-XCRHUMRWSA-N 1 2 338.411 2.432 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1C#N ZINC000534469479 270022949 /nfs/dbraw/zinc/02/29/49/270022949.db2.gz CLUHVBSUJNKEQY-HZPDHXFCSA-N 1 2 332.425 2.051 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1C#N ZINC000534469479 270022950 /nfs/dbraw/zinc/02/29/50/270022950.db2.gz CLUHVBSUJNKEQY-HZPDHXFCSA-N 1 2 332.425 2.051 20 30 EEEDLO CCCNC(=O)C[N@H+](CCC)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000298084629 266057880 /nfs/dbraw/zinc/05/78/80/266057880.db2.gz KHQXWEDQYRQHIS-ZDUSSCGKSA-N 1 2 348.447 2.333 20 30 EEEDLO CCCNC(=O)C[N@@H+](CCC)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000298084629 266057882 /nfs/dbraw/zinc/05/78/82/266057882.db2.gz KHQXWEDQYRQHIS-ZDUSSCGKSA-N 1 2 348.447 2.333 20 30 EEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)c2cc(C#N)cs2)C1 ZINC000442826342 266852873 /nfs/dbraw/zinc/85/28/73/266852873.db2.gz IYHYOWOGPBQDKZ-QGZVFWFLSA-N 1 2 349.456 2.156 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000279655525 267142818 /nfs/dbraw/zinc/14/28/18/267142818.db2.gz CDHSCWYYMYFVPL-CUYVQJCZSA-N 1 2 343.427 2.154 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000279655525 267142820 /nfs/dbraw/zinc/14/28/20/267142820.db2.gz CDHSCWYYMYFVPL-CUYVQJCZSA-N 1 2 343.427 2.154 20 30 EEEDLO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ncn(C)n1 ZINC000298576569 267181571 /nfs/dbraw/zinc/18/15/71/267181571.db2.gz QRNCXEJANKDTLX-JTQLQIEISA-N 1 2 332.795 2.020 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000521944015 268263508 /nfs/dbraw/zinc/26/35/08/268263508.db2.gz CGZKRJHJCQIRJR-BBWFWOEESA-N 1 2 325.412 2.118 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000521944015 268263510 /nfs/dbraw/zinc/26/35/10/268263510.db2.gz CGZKRJHJCQIRJR-BBWFWOEESA-N 1 2 325.412 2.118 20 30 EEEDLO N#Cc1ccc(NC2CC2)c(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)c1 ZINC000557065448 318667743 /nfs/dbraw/zinc/66/77/43/318667743.db2.gz SMSPZFGHNKETHB-UHFFFAOYSA-N 1 2 345.366 2.361 20 30 EEEDLO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)Nc2cc(C)[nH+]cc2C#N)s1 ZINC000568742935 319514830 /nfs/dbraw/zinc/51/48/30/319514830.db2.gz YHDROXMLIYVDBO-WDEREUQCSA-N 1 2 344.444 2.173 20 30 EEEDLO CCOC(=O)c1ccc(C#N)c(SCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000571299339 319743387 /nfs/dbraw/zinc/74/33/87/319743387.db2.gz OOYZXPIISUCZKP-STQMWFEESA-N 1 2 349.456 2.331 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000576244637 320154741 /nfs/dbraw/zinc/15/47/41/320154741.db2.gz SJBKCKBEXBHIIM-LSDHHAIUSA-N 1 2 333.457 2.431 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000576244637 320154742 /nfs/dbraw/zinc/15/47/42/320154742.db2.gz SJBKCKBEXBHIIM-LSDHHAIUSA-N 1 2 333.457 2.431 20 30 EEEDLO N#Cc1cccnc1OC1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000576422445 320170729 /nfs/dbraw/zinc/17/07/29/320170729.db2.gz GSHCFNAGYRVHNH-UHFFFAOYSA-N 1 2 339.399 2.115 20 30 EEEDLO Cc1nnc([C@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)[nH]1 ZINC000578223122 320301820 /nfs/dbraw/zinc/30/18/20/320301820.db2.gz SFLVXUIKNYXQBW-LBPRGKRZSA-N 1 2 344.806 2.066 20 30 EEEDLO Cc1nnc([C@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)[nH]1 ZINC000578223122 320301821 /nfs/dbraw/zinc/30/18/21/320301821.db2.gz SFLVXUIKNYXQBW-LBPRGKRZSA-N 1 2 344.806 2.066 20 30 EEEDLO Cc1nc(SCC(=O)N2CCn3c[nH+]cc3C2)c(C#N)c(C)c1C ZINC000580612366 324096142 /nfs/dbraw/zinc/09/61/42/324096142.db2.gz KOTODHIRNMHNLL-UHFFFAOYSA-N 1 2 341.440 2.210 20 30 EEEDLO CCC(=O)N[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000354681028 465092219 /nfs/dbraw/zinc/09/22/19/465092219.db2.gz YLUOMARSWNUTLK-AWEZNQCLSA-N 1 2 348.834 2.141 20 30 EEEDLO CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000354681028 465092223 /nfs/dbraw/zinc/09/22/23/465092223.db2.gz YLUOMARSWNUTLK-AWEZNQCLSA-N 1 2 348.834 2.141 20 30 EEEDLO C=CCNC(=O)CNc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000336974838 465129710 /nfs/dbraw/zinc/12/97/10/465129710.db2.gz NOINEVGBRSGRQT-UHFFFAOYSA-N 1 2 338.180 2.272 20 30 EEEDLO N#Cc1ccnc(NCC2([NH+]3CCOCC3)CCCCC2)c1Cl ZINC000341392523 465143843 /nfs/dbraw/zinc/14/38/43/465143843.db2.gz VYVUXSASNNMBCZ-UHFFFAOYSA-N 1 2 334.851 3.054 20 30 EEEDLO C=CC[N@@H+](Cc1nnc(CC)[nH]1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000354833189 465180732 /nfs/dbraw/zinc/18/07/32/465180732.db2.gz IQGFNJPHXICREY-CYBMUJFWSA-N 1 2 338.419 2.092 20 30 EEEDLO C=CC[N@H+](Cc1nnc(CC)[nH]1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000354833189 465180740 /nfs/dbraw/zinc/18/07/40/465180740.db2.gz IQGFNJPHXICREY-CYBMUJFWSA-N 1 2 338.419 2.092 20 30 EEEDLO C=C(C)COCCNC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000354887622 465210197 /nfs/dbraw/zinc/21/01/97/465210197.db2.gz HZVAUOUGOXEDQC-UHFFFAOYSA-N 1 2 334.342 2.180 20 30 EEEDLO CCOc1cccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)n1 ZINC000355193060 465231340 /nfs/dbraw/zinc/23/13/40/465231340.db2.gz DIDHOPSEHNOHAC-JLTOFOAXSA-N 1 2 348.406 2.326 20 30 EEEDLO CCOc1cccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)n1 ZINC000355193060 465231345 /nfs/dbraw/zinc/23/13/45/465231345.db2.gz DIDHOPSEHNOHAC-JLTOFOAXSA-N 1 2 348.406 2.326 20 30 EEEDLO COCCOc1ccc(C#N)cc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000578895539 468276796 /nfs/dbraw/zinc/27/67/96/468276796.db2.gz UVFOXWVGQOXJNH-CYBMUJFWSA-N 1 2 328.372 2.370 20 30 EEEDLO CC(C)C[C@@H](C#N)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000590628783 468291270 /nfs/dbraw/zinc/29/12/70/468291270.db2.gz HHZCYAQDEIXSNG-ZDUSSCGKSA-N 1 2 327.344 2.449 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N[C@H]2CCCC[C@@H]2C)cc1OC ZINC000060552836 462557205 /nfs/dbraw/zinc/55/72/05/462557205.db2.gz CSLSMVVSICCSIQ-JSGCOSHPSA-N 1 2 349.431 2.036 20 30 EEEDLO C#CCNC(=O)CC[NH2+][C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000491119097 468304178 /nfs/dbraw/zinc/30/41/78/468304178.db2.gz HCJORKOTCWVIFB-LLVKDONJSA-N 1 2 332.791 2.180 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)CN(C)Cc2[nH+]ccn2C)cc1C ZINC000153469218 462653139 /nfs/dbraw/zinc/65/31/39/462653139.db2.gz WMQLUPFNFILCBH-UHFFFAOYSA-N 1 2 339.443 2.416 20 30 EEEDLO CC[N@@H+](CC(=O)NCc1ccccc1Cn1cccn1)C[C@H](C)C#N ZINC000064248681 462691224 /nfs/dbraw/zinc/69/12/24/462691224.db2.gz FKBQDHATTSUFAT-MRXNPFEDSA-N 1 2 339.443 2.029 20 30 EEEDLO CC[N@H+](CC(=O)NCc1ccccc1Cn1cccn1)C[C@H](C)C#N ZINC000064248681 462691228 /nfs/dbraw/zinc/69/12/28/462691228.db2.gz FKBQDHATTSUFAT-MRXNPFEDSA-N 1 2 339.443 2.029 20 30 EEEDLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000153994527 462717620 /nfs/dbraw/zinc/71/76/20/462717620.db2.gz ICZZUPCUTBGGEB-INIZCTEOSA-N 1 2 348.443 2.350 20 30 EEEDLO CC(C)[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000153994527 462717625 /nfs/dbraw/zinc/71/76/25/462717625.db2.gz ICZZUPCUTBGGEB-INIZCTEOSA-N 1 2 348.443 2.350 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc(C2CC2)s1 ZINC000091936879 462914742 /nfs/dbraw/zinc/91/47/42/462914742.db2.gz RUBCPDRUMVBFRB-LBPRGKRZSA-N 1 2 340.456 2.393 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc(C2CC2)s1 ZINC000091936879 462914746 /nfs/dbraw/zinc/91/47/46/462914746.db2.gz RUBCPDRUMVBFRB-LBPRGKRZSA-N 1 2 340.456 2.393 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000016588720 462982756 /nfs/dbraw/zinc/98/27/56/462982756.db2.gz PGJGHLSJNRQKEA-CYBMUJFWSA-N 1 2 344.440 2.445 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000016588720 462982759 /nfs/dbraw/zinc/98/27/59/462982759.db2.gz PGJGHLSJNRQKEA-CYBMUJFWSA-N 1 2 344.440 2.445 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000016621176 462984743 /nfs/dbraw/zinc/98/47/43/462984743.db2.gz YHMCROQMIRJZDO-UHFFFAOYSA-N 1 2 330.215 2.437 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000016621176 462984749 /nfs/dbraw/zinc/98/47/49/462984749.db2.gz YHMCROQMIRJZDO-UHFFFAOYSA-N 1 2 330.215 2.437 20 30 EEEDLO C[C@H](O[NH+]=C(N)Cc1ccccc1Cl)C(=O)NCC(F)(F)F ZINC000078695931 463141987 /nfs/dbraw/zinc/14/19/87/463141987.db2.gz AJZWBKHAGJEEMU-QMMMGPOBSA-N 1 2 337.729 2.238 20 30 EEEDLO N#Cc1ccc(OC2C[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000158578612 463241754 /nfs/dbraw/zinc/24/17/54/463241754.db2.gz UEBQVLUKFAIUSM-GOSISDBHSA-N 1 2 339.351 2.263 20 30 EEEDLO N#Cc1cc(F)ccc1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000097036623 463307807 /nfs/dbraw/zinc/30/78/07/463307807.db2.gz KGHHQVRUKGYCPM-UHFFFAOYSA-N 1 2 339.374 2.442 20 30 EEEDLO Cc1cc(C#N)cnc1C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000522018408 468350493 /nfs/dbraw/zinc/35/04/93/468350493.db2.gz WVQQIRRLMNFUKI-UHFFFAOYSA-N 1 2 337.305 2.293 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000032830900 463397149 /nfs/dbraw/zinc/39/71/49/463397149.db2.gz GVPCZXAEPXWXTN-KXBFYZLASA-N 1 2 346.450 2.391 20 30 EEEDLO COC(=O)c1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000057882760 463525548 /nfs/dbraw/zinc/52/55/48/463525548.db2.gz PREJJYRRCINVKT-UHFFFAOYSA-N 1 2 339.395 2.256 20 30 EEEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccoc1 ZINC000058282541 463567447 /nfs/dbraw/zinc/56/74/47/463567447.db2.gz VUOJVKSHFDBYGI-UHFFFAOYSA-N 1 2 335.367 2.407 20 30 EEEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccoc1 ZINC000058282541 463567454 /nfs/dbraw/zinc/56/74/54/463567454.db2.gz VUOJVKSHFDBYGI-UHFFFAOYSA-N 1 2 335.367 2.407 20 30 EEEDLO CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000073658772 463640336 /nfs/dbraw/zinc/64/03/36/463640336.db2.gz KGUDGJGWWBPTTJ-UHFFFAOYSA-N 1 2 346.394 2.481 20 30 EEEDLO C[C@H]1c2nncn2CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000276718736 463730835 /nfs/dbraw/zinc/73/08/35/463730835.db2.gz AISZBSZVNXTRLN-NSHDSACASA-N 1 2 344.806 2.209 20 30 EEEDLO C[C@H]1c2nncn2CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000276718736 463730840 /nfs/dbraw/zinc/73/08/40/463730840.db2.gz AISZBSZVNXTRLN-NSHDSACASA-N 1 2 344.806 2.209 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1 ZINC000194314125 463833462 /nfs/dbraw/zinc/83/34/62/463833462.db2.gz VMXUFHWXGMQKHD-GOSISDBHSA-N 1 2 348.406 2.060 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1 ZINC000194314125 463833468 /nfs/dbraw/zinc/83/34/68/463833468.db2.gz VMXUFHWXGMQKHD-GOSISDBHSA-N 1 2 348.406 2.060 20 30 EEEDLO CC[C@@H](C)NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000178149389 463852934 /nfs/dbraw/zinc/85/29/34/463852934.db2.gz XAAGGZJVXHIICV-KGLIPLIRSA-N 1 2 347.463 2.012 20 30 EEEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000178344717 463884324 /nfs/dbraw/zinc/88/43/24/463884324.db2.gz BUJJQNBVGGWBNI-WBVHZDCISA-N 1 2 346.427 2.104 20 30 EEEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000178344717 463884328 /nfs/dbraw/zinc/88/43/28/463884328.db2.gz BUJJQNBVGGWBNI-WBVHZDCISA-N 1 2 346.427 2.104 20 30 EEEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000590958845 468383707 /nfs/dbraw/zinc/38/37/07/468383707.db2.gz KZFBAFPRBZYPQS-KCQAQPDRSA-N 1 2 329.400 2.457 20 30 EEEDLO CNC(=O)[C@H]1CCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000178922185 464015671 /nfs/dbraw/zinc/01/56/71/464015671.db2.gz ZYZCFNICWYFAEQ-CQSZACIVSA-N 1 2 326.318 2.147 20 30 EEEDLO CNC(=O)[C@H]1CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000178922185 464015676 /nfs/dbraw/zinc/01/56/76/464015676.db2.gz ZYZCFNICWYFAEQ-CQSZACIVSA-N 1 2 326.318 2.147 20 30 EEEDLO N#Cc1ccc([N+](=O)[O-])c(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000186591941 464028134 /nfs/dbraw/zinc/02/81/34/464028134.db2.gz XXMMWRZBKXBFSI-UHFFFAOYSA-N 1 2 325.328 2.442 20 30 EEEDLO C=CCc1cc(CNC(=O)Cc2c[nH+]cn2C)cc(OC)c1OC ZINC000568785016 468388523 /nfs/dbraw/zinc/38/85/23/468388523.db2.gz CFOHRIHFDNVQEL-UHFFFAOYSA-N 1 2 329.400 2.025 20 30 EEEDLO C#C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1)C(C)(C)C ZINC000289115789 464067735 /nfs/dbraw/zinc/06/77/35/464067735.db2.gz QKTLVPOQHSLDCV-HOCLYGCPSA-N 1 2 349.500 2.469 20 30 EEEDLO O=C(C[NH2+]Cc1c(F)cccc1OC(F)(F)F)NCC(F)(F)F ZINC000284052931 464077810 /nfs/dbraw/zinc/07/78/10/464077810.db2.gz SKWQRCSPUBFKHE-UHFFFAOYSA-N 1 2 348.218 2.492 20 30 EEEDLO C#Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000289504711 464082610 /nfs/dbraw/zinc/08/26/10/464082610.db2.gz CQNLRGTXHNXHKP-QGZVFWFLSA-N 1 2 330.428 2.393 20 30 EEEDLO C#Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000289504711 464082613 /nfs/dbraw/zinc/08/26/13/464082613.db2.gz CQNLRGTXHNXHKP-QGZVFWFLSA-N 1 2 330.428 2.393 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000289708059 464091939 /nfs/dbraw/zinc/09/19/39/464091939.db2.gz FZXZTOLBUQBNNM-OAQYLSRUSA-N 1 2 348.446 2.228 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000289708059 464091947 /nfs/dbraw/zinc/09/19/47/464091947.db2.gz FZXZTOLBUQBNNM-OAQYLSRUSA-N 1 2 348.446 2.228 20 30 EEEDLO CCCCCCCCNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000284203066 464107581 /nfs/dbraw/zinc/10/75/81/464107581.db2.gz WPDDVWIVNAQRJR-INIZCTEOSA-N 1 2 346.475 2.253 20 30 EEEDLO C=CCCCCNC(=O)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000284395657 464177264 /nfs/dbraw/zinc/17/72/64/464177264.db2.gz IDVAFJSVZIAMRK-UHFFFAOYSA-N 1 2 332.448 2.017 20 30 EEEDLO C#CCN(C)C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000292307046 464192925 /nfs/dbraw/zinc/19/29/25/464192925.db2.gz HZZJZHQMZALYKM-UHFFFAOYSA-N 1 2 334.423 2.419 20 30 EEEDLO C[C@@H]1CC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@H]1C ZINC000271025565 464276457 /nfs/dbraw/zinc/27/64/57/464276457.db2.gz KBYAPHRXKIVSIW-NFAWXSAZSA-N 1 2 338.411 2.490 20 30 EEEDLO C[C@@H]1CC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@H]1C ZINC000271025565 464276465 /nfs/dbraw/zinc/27/64/65/464276465.db2.gz KBYAPHRXKIVSIW-NFAWXSAZSA-N 1 2 338.411 2.490 20 30 EEEDLO Cc1ccc(N2CCC(NC(=O)c3ccc(C#N)c(O)c3)CC2)[nH+]c1 ZINC000188548353 464309041 /nfs/dbraw/zinc/30/90/41/464309041.db2.gz LZKOBJDFXAGMFO-UHFFFAOYSA-N 1 2 336.395 2.366 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(OCC)cc2)C1=O ZINC000281271582 464394350 /nfs/dbraw/zinc/39/43/50/464394350.db2.gz IAKIVFWOSUAFNY-PBHICJAKSA-N 1 2 345.443 2.131 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(OCC)cc2)C1=O ZINC000281271582 464394355 /nfs/dbraw/zinc/39/43/55/464394355.db2.gz IAKIVFWOSUAFNY-PBHICJAKSA-N 1 2 345.443 2.131 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000284929765 464396805 /nfs/dbraw/zinc/39/68/05/464396805.db2.gz YFGDZZGFSFFUAB-ICSRJNTNSA-N 1 2 341.499 2.434 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000284929765 464396810 /nfs/dbraw/zinc/39/68/10/464396810.db2.gz YFGDZZGFSFFUAB-ICSRJNTNSA-N 1 2 341.499 2.434 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1=O ZINC000281298684 464405614 /nfs/dbraw/zinc/40/56/14/464405614.db2.gz JSLNEQKWZOBOBD-PBHICJAKSA-N 1 2 347.434 2.064 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1=O ZINC000281298684 464405619 /nfs/dbraw/zinc/40/56/19/464405619.db2.gz JSLNEQKWZOBOBD-PBHICJAKSA-N 1 2 347.434 2.064 20 30 EEEDLO Cc1cccc(N2CCN(C(=O)C[N@H+](CCC#N)CC3CC3)CC2)c1 ZINC000174698526 464438977 /nfs/dbraw/zinc/43/89/77/464438977.db2.gz GSKICAJQKDWYNO-UHFFFAOYSA-N 1 2 340.471 2.269 20 30 EEEDLO Cc1cccc(N2CCN(C(=O)C[N@@H+](CCC#N)CC3CC3)CC2)c1 ZINC000174698526 464438984 /nfs/dbraw/zinc/43/89/84/464438984.db2.gz GSKICAJQKDWYNO-UHFFFAOYSA-N 1 2 340.471 2.269 20 30 EEEDLO CCCC[N@H+](CC(N)=O)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174820414 464454088 /nfs/dbraw/zinc/45/40/88/464454088.db2.gz QCLPXXNFHTVQCG-UHFFFAOYSA-N 1 2 340.427 2.325 20 30 EEEDLO CCCC[N@@H+](CC(N)=O)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174820414 464454090 /nfs/dbraw/zinc/45/40/90/464454090.db2.gz QCLPXXNFHTVQCG-UHFFFAOYSA-N 1 2 340.427 2.325 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C1=O ZINC000281458113 464462931 /nfs/dbraw/zinc/46/29/31/464462931.db2.gz VCNRFQFYBAFXDI-FUHWJXTLSA-N 1 2 343.471 2.199 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C1=O ZINC000281458113 464462937 /nfs/dbraw/zinc/46/29/37/464462937.db2.gz VCNRFQFYBAFXDI-FUHWJXTLSA-N 1 2 343.471 2.199 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2c2cccc(F)c2)CCCCC1 ZINC000281579771 464510396 /nfs/dbraw/zinc/51/03/96/464510396.db2.gz DTYNYXDRKMAGQI-IRXDYDNUSA-N 1 2 345.418 2.276 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2c2cccc(F)c2)CCCCC1 ZINC000281579771 464510401 /nfs/dbraw/zinc/51/04/01/464510401.db2.gz DTYNYXDRKMAGQI-IRXDYDNUSA-N 1 2 345.418 2.276 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545932589 468405879 /nfs/dbraw/zinc/40/58/79/468405879.db2.gz RXEDZGLVKXSIOC-CABCVRRESA-N 1 2 349.397 2.066 20 30 EEEDLO C[C@H](O)[C@H]1CCN(c2cc(NCC3CCC(C#N)CC3)[nH+]cn2)C1 ZINC000591160141 468417481 /nfs/dbraw/zinc/41/74/81/468417481.db2.gz VTWCKVSHKOOABG-LBDPXKHJSA-N 1 2 329.448 2.426 20 30 EEEDLO C[C@H](O)[C@H]1CCN(c2cc(NCC3CCC(C#N)CC3)nc[nH+]2)C1 ZINC000591160141 468417488 /nfs/dbraw/zinc/41/74/88/468417488.db2.gz VTWCKVSHKOOABG-LBDPXKHJSA-N 1 2 329.448 2.426 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(F)ccc1F ZINC000176369384 464758784 /nfs/dbraw/zinc/75/87/84/464758784.db2.gz ZKCCTDXAYBHLKQ-GFCCVEGCSA-N 1 2 329.354 2.337 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(F)ccc1F ZINC000176369384 464758787 /nfs/dbraw/zinc/75/87/87/464758787.db2.gz ZKCCTDXAYBHLKQ-GFCCVEGCSA-N 1 2 329.354 2.337 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2ccc(F)cc2C#N)CC1(C)C ZINC000295247600 464760347 /nfs/dbraw/zinc/76/03/47/464760347.db2.gz KAWZGGUSQFLERQ-CQSZACIVSA-N 1 2 348.403 2.203 20 30 EEEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)ccc1C#N ZINC000282284871 464764432 /nfs/dbraw/zinc/76/44/32/464764432.db2.gz LGMPWUGBAUAVOZ-UHFFFAOYSA-N 1 2 333.395 2.156 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000286690907 465006134 /nfs/dbraw/zinc/00/61/34/465006134.db2.gz NTUKNKMBGPTDJA-UHFFFAOYSA-N 1 2 342.374 2.341 20 30 EEEDLO CCc1[nH+]ccn1[C@H]1CCCN(C([O-])=[NH+]C2CCN(C(C)=O)CC2)C1 ZINC000329549260 465367890 /nfs/dbraw/zinc/36/78/90/465367890.db2.gz CLFGAWGLYXIRCV-INIZCTEOSA-N 1 2 347.463 2.007 20 30 EEEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000329571681 465374831 /nfs/dbraw/zinc/37/48/31/465374831.db2.gz QULAWESUAUHYOX-IMJJTQAJSA-N 1 2 326.400 2.335 20 30 EEEDLO CCN(C(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CCOC(C)(C)C1 ZINC000329630468 465392887 /nfs/dbraw/zinc/39/28/87/465392887.db2.gz VLZJPHABGVKYAE-HNNXBMFYSA-N 1 2 341.496 2.291 20 30 EEEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000339740501 465480522 /nfs/dbraw/zinc/48/05/22/465480522.db2.gz JETJSYPIOMLKRM-UONOGXRCSA-N 1 2 328.372 2.045 20 30 EEEDLO N#CC1(CS(=O)(=O)NCc2ccn3cc[nH+]c3c2)CCCCC1 ZINC000330015555 465507290 /nfs/dbraw/zinc/50/72/90/465507290.db2.gz ODWZYDCNTKSIAY-UHFFFAOYSA-N 1 2 332.429 2.228 20 30 EEEDLO COC(=O)c1cc(C[NH+]2CCC(F)(C#N)CC2)cc(C(=O)OC)c1 ZINC000352484375 465533772 /nfs/dbraw/zinc/53/37/72/465533772.db2.gz OHGCFLUUVTUHCB-UHFFFAOYSA-N 1 2 334.347 2.087 20 30 EEEDLO Cc1[nH+]c(-c2ccncc2)nc(NCC2CCN(CC#N)CC2)c1C ZINC000348335765 465555609 /nfs/dbraw/zinc/55/56/09/465555609.db2.gz CUAIRWUISBTTTC-UHFFFAOYSA-N 1 2 336.443 2.225 20 30 EEEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CCOC[C@@H](C2CCC2)C1 ZINC000330189532 465562374 /nfs/dbraw/zinc/56/23/74/465562374.db2.gz LVDSPEUACLRMQD-PBHICJAKSA-N 1 2 334.464 2.490 20 30 EEEDLO O=C(NC1CN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1)C1CC1 ZINC000330284312 465598174 /nfs/dbraw/zinc/59/81/74/465598174.db2.gz XHJMZKPNKJJPBZ-UHFFFAOYSA-N 1 2 347.806 2.452 20 30 EEEDLO CCN1CCN(C(=O)Nc2sc(C)nc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330352323 465625296 /nfs/dbraw/zinc/62/52/96/465625296.db2.gz NFRAESLFJUBXMS-GFCCVEGCSA-N 1 2 334.449 2.407 20 30 EEEDLO Cc1ncoc1C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000330356887 465629396 /nfs/dbraw/zinc/62/93/96/465629396.db2.gz SEEOZPHGQMEOGJ-UHFFFAOYSA-N 1 2 327.344 2.332 20 30 EEEDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCC(=O)N(C)CCC#N)n1 ZINC000356972051 465668061 /nfs/dbraw/zinc/66/80/61/465668061.db2.gz BUTTZQJLCZAENC-LBPRGKRZSA-N 1 2 339.465 2.078 20 30 EEEDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCC(=O)N(C)CCC#N)n1 ZINC000356972051 465668071 /nfs/dbraw/zinc/66/80/71/465668071.db2.gz BUTTZQJLCZAENC-LBPRGKRZSA-N 1 2 339.465 2.078 20 30 EEEDLO N#Cc1cccc(C2(C(=O)N3CC[NH+](Cc4ccccn4)CC3)CC2)c1 ZINC000337906678 465672837 /nfs/dbraw/zinc/67/28/37/465672837.db2.gz VKUYHHOSZBJFDK-UHFFFAOYSA-N 1 2 346.434 2.329 20 30 EEEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[NH2+][C@H](CC)CC#N ZINC000569136390 468446033 /nfs/dbraw/zinc/44/60/33/468446033.db2.gz AMYWRQVYAPDDIG-GOEBONIOSA-N 1 2 344.459 2.316 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000299284065 465681356 /nfs/dbraw/zinc/68/13/56/465681356.db2.gz CYSDTABJJOSTOJ-WMZOPIPTSA-N 1 2 332.444 2.157 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366401664 465704733 /nfs/dbraw/zinc/70/47/33/465704733.db2.gz LVWUPTJXCFIOOE-KBXIAJHMSA-N 1 2 345.468 2.047 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366401664 465704739 /nfs/dbraw/zinc/70/47/39/465704739.db2.gz LVWUPTJXCFIOOE-KBXIAJHMSA-N 1 2 345.468 2.047 20 30 EEEDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCO1 ZINC000362463445 465760187 /nfs/dbraw/zinc/76/01/87/465760187.db2.gz HJMZFIPHTGHPCW-OAHLLOKOSA-N 1 2 347.463 2.347 20 30 EEEDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCO1 ZINC000362463445 465760199 /nfs/dbraw/zinc/76/01/99/465760199.db2.gz HJMZFIPHTGHPCW-OAHLLOKOSA-N 1 2 347.463 2.347 20 30 EEEDLO CC[N@@H+](C[C@@H](C)C#N)C[C@H](O)COc1ccc(C(C)=O)cc1OC ZINC000353330734 465804923 /nfs/dbraw/zinc/80/49/23/465804923.db2.gz OWAXXNYKGIKQQC-BBRMVZONSA-N 1 2 334.416 2.119 20 30 EEEDLO CC[N@H+](C[C@@H](C)C#N)C[C@H](O)COc1ccc(C(C)=O)cc1OC ZINC000353330734 465804930 /nfs/dbraw/zinc/80/49/30/465804930.db2.gz OWAXXNYKGIKQQC-BBRMVZONSA-N 1 2 334.416 2.119 20 30 EEEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000593995108 468454096 /nfs/dbraw/zinc/45/40/96/468454096.db2.gz KRSBDGBJZAOELO-UHFFFAOYSA-N 1 2 332.407 2.359 20 30 EEEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000593995108 468454103 /nfs/dbraw/zinc/45/41/03/468454103.db2.gz KRSBDGBJZAOELO-UHFFFAOYSA-N 1 2 332.407 2.359 20 30 EEEDLO C[C@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000299569990 465807397 /nfs/dbraw/zinc/80/73/97/465807397.db2.gz WXKFXZXKQBHIEI-MRXNPFEDSA-N 1 2 347.434 2.394 20 30 EEEDLO FC(F)(F)CN1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000345778130 465902898 /nfs/dbraw/zinc/90/28/98/465902898.db2.gz GCDBUIALCZNWCO-UHFFFAOYSA-N 1 2 344.246 2.381 20 30 EEEDLO Cc1cccc(N2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)c1 ZINC000349127184 465986087 /nfs/dbraw/zinc/98/60/87/465986087.db2.gz QTTRFVWUGXRNJI-UHFFFAOYSA-N 1 2 348.450 2.305 20 30 EEEDLO C[N@@H+]1CCN(S(=O)(=O)CC(C)(C)CC#N)C[C@H]1Cc1ccccc1 ZINC000331337785 466037357 /nfs/dbraw/zinc/03/73/57/466037357.db2.gz RABNTRHDEDDTRT-QGZVFWFLSA-N 1 2 349.500 2.115 20 30 EEEDLO C[N@H+]1CCN(S(=O)(=O)CC(C)(C)CC#N)C[C@H]1Cc1ccccc1 ZINC000331337785 466037361 /nfs/dbraw/zinc/03/73/61/466037361.db2.gz RABNTRHDEDDTRT-QGZVFWFLSA-N 1 2 349.500 2.115 20 30 EEEDLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)NC1(C#N)CCC1 ZINC000347016565 466323339 /nfs/dbraw/zinc/32/33/39/466323339.db2.gz WZSMWGWFRCXPDK-UHFFFAOYSA-N 1 2 346.406 2.037 20 30 EEEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)NC1(C#N)CCC1 ZINC000347016565 466323347 /nfs/dbraw/zinc/32/33/47/466323347.db2.gz WZSMWGWFRCXPDK-UHFFFAOYSA-N 1 2 346.406 2.037 20 30 EEEDLO C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(C#N)cs1 ZINC000600213164 468498037 /nfs/dbraw/zinc/49/80/37/468498037.db2.gz RBQZWRLWHTZNGF-UHFFFAOYSA-N 1 2 343.408 2.461 20 30 EEEDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(C#N)cs1 ZINC000600213164 468498040 /nfs/dbraw/zinc/49/80/40/468498040.db2.gz RBQZWRLWHTZNGF-UHFFFAOYSA-N 1 2 343.408 2.461 20 30 EEEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)[nH+]cn2C ZINC000362115446 466569335 /nfs/dbraw/zinc/56/93/35/466569335.db2.gz CPBHGIYELSRHPB-UHFFFAOYSA-N 1 2 342.380 2.254 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)CC2(C#N)CCCC2)CC1(C)C ZINC000333080537 466603800 /nfs/dbraw/zinc/60/38/00/466603800.db2.gz LYLMUNSGQQAXSP-ZDUSSCGKSA-N 1 2 336.461 2.217 20 30 EEEDLO N#Cc1ccc(N2CCC(C(=O)Nc3cc[nH+]cc3O)CC2)c(F)c1 ZINC000354519670 466626622 /nfs/dbraw/zinc/62/66/22/466626622.db2.gz CTMXOZCJDGOASL-UHFFFAOYSA-N 1 2 340.358 2.075 20 30 EEEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(c3cn[nH]c3)CC2)C1=O ZINC000368543050 466665644 /nfs/dbraw/zinc/66/56/44/466665644.db2.gz KNVJPGOVTZALNP-OAHLLOKOSA-N 1 2 341.440 2.328 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000411182841 466779021 /nfs/dbraw/zinc/77/90/21/466779021.db2.gz XLXVPHVJTKHCKN-CYBMUJFWSA-N 1 2 342.447 2.278 20 30 EEEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000411182841 466779024 /nfs/dbraw/zinc/77/90/24/466779024.db2.gz XLXVPHVJTKHCKN-CYBMUJFWSA-N 1 2 342.447 2.278 20 30 EEEDLO Cc1cc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1C#N ZINC000365558326 466862142 /nfs/dbraw/zinc/86/21/42/466862142.db2.gz RQJKCDNXCNDKSR-MRXNPFEDSA-N 1 2 343.408 2.104 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2csnn2)c(OC)c1 ZINC000412025164 466969807 /nfs/dbraw/zinc/96/98/07/466969807.db2.gz HUYVEYIBMYEVIH-GXTWGEPZSA-N 1 2 349.456 2.366 20 30 EEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCCOCC1 ZINC000374022128 466996103 /nfs/dbraw/zinc/99/61/03/466996103.db2.gz MKCYSCQBMBURBY-HNNXBMFYSA-N 1 2 331.416 2.053 20 30 EEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCCOCC1 ZINC000374022128 466996106 /nfs/dbraw/zinc/99/61/06/466996106.db2.gz MKCYSCQBMBURBY-HNNXBMFYSA-N 1 2 331.416 2.053 20 30 EEEDLO COC(=O)[C@@H](CNc1cc(C)[nH+]cc1C#N)Cc1ccccc1OC ZINC000425243028 467089864 /nfs/dbraw/zinc/08/98/64/467089864.db2.gz DPOSDLIEEDQYEK-OAHLLOKOSA-N 1 2 339.395 2.136 20 30 EEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425837035 467136366 /nfs/dbraw/zinc/13/63/66/467136366.db2.gz BZOQMRVWZZZROV-WDEREUQCSA-N 1 2 329.326 2.279 20 30 EEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000413561708 467266736 /nfs/dbraw/zinc/26/67/36/467266736.db2.gz ZLVVEWIEDXPMDK-IEBWSBKVSA-N 1 2 343.471 2.336 20 30 EEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000413561708 467266740 /nfs/dbraw/zinc/26/67/40/467266740.db2.gz ZLVVEWIEDXPMDK-IEBWSBKVSA-N 1 2 343.471 2.336 20 30 EEEDLO COCc1nc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000428811588 467271317 /nfs/dbraw/zinc/27/13/17/467271317.db2.gz JPGCSGJKIYBKJK-AWEZNQCLSA-N 1 2 330.413 2.209 20 30 EEEDLO COCc1nc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000428811588 467271321 /nfs/dbraw/zinc/27/13/21/467271321.db2.gz JPGCSGJKIYBKJK-AWEZNQCLSA-N 1 2 330.413 2.209 20 30 EEEDLO COCc1nc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000428811591 467271733 /nfs/dbraw/zinc/27/17/33/467271733.db2.gz JPGCSGJKIYBKJK-CQSZACIVSA-N 1 2 330.413 2.209 20 30 EEEDLO COCc1nc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000428811591 467271736 /nfs/dbraw/zinc/27/17/36/467271736.db2.gz JPGCSGJKIYBKJK-CQSZACIVSA-N 1 2 330.413 2.209 20 30 EEEDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000451936256 467288213 /nfs/dbraw/zinc/28/82/13/467288213.db2.gz UCGZHNHFBKIFAP-CQSZACIVSA-N 1 2 341.864 2.316 20 30 EEEDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000451936256 467288215 /nfs/dbraw/zinc/28/82/15/467288215.db2.gz UCGZHNHFBKIFAP-CQSZACIVSA-N 1 2 341.864 2.316 20 30 EEEDLO COc1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)c(Br)c1 ZINC000414154947 467383822 /nfs/dbraw/zinc/38/38/22/467383822.db2.gz UMVCEMOFZGKEQR-NSHDSACASA-N 1 2 343.221 2.043 20 30 EEEDLO COc1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c(Br)c1 ZINC000414154947 467383825 /nfs/dbraw/zinc/38/38/25/467383825.db2.gz UMVCEMOFZGKEQR-NSHDSACASA-N 1 2 343.221 2.043 20 30 EEEDLO Cn1cc[nH+]c1CNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429994531 467390566 /nfs/dbraw/zinc/39/05/66/467390566.db2.gz WGHJPYMMNFSMTF-UHFFFAOYSA-N 1 2 334.383 2.127 20 30 EEEDLO C=CC[C@H](CC)NC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000441134076 467571761 /nfs/dbraw/zinc/57/17/61/467571761.db2.gz JCBPXYNTIHVDFD-KBXCAEBGSA-N 1 2 339.480 2.446 20 30 EEEDLO COc1cc(C[NH+]2CCN(Cc3cscn3)CC2)ccc1C#N ZINC000442817082 467578157 /nfs/dbraw/zinc/57/81/57/467578157.db2.gz YJEGSLXWTUNGAF-UHFFFAOYSA-N 1 2 328.441 2.341 20 30 EEEDLO Cc1cccn2cc(CNS(=O)(=O)c3ccc(C#N)c(C)c3)[nH+]c12 ZINC000443888573 467580856 /nfs/dbraw/zinc/58/08/56/467580856.db2.gz ZFDDKYXHEQJXAK-UHFFFAOYSA-N 1 2 340.408 2.301 20 30 EEEDLO C=CCOc1ccc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1OC ZINC000493294210 467880338 /nfs/dbraw/zinc/88/03/38/467880338.db2.gz VXGKKOJQCJHRBX-RQMBKDMJSA-N 1 2 343.427 2.233 20 30 EEEDLO CC[C@H](C#N)Oc1cc(CNC(=O)/C=C/c2[nH]cc[nH+]2)ccc1OC ZINC000493623366 467951547 /nfs/dbraw/zinc/95/15/47/467951547.db2.gz UDSPCYMMESNZTD-PSKZRQQASA-N 1 2 340.383 2.429 20 30 EEEDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2C#N)c2[nH+]ccn21 ZINC000517072156 468070116 /nfs/dbraw/zinc/07/01/16/468070116.db2.gz JIUWIDDERQUSPY-BXKDBHETSA-N 1 2 336.804 2.392 20 30 EEEDLO Cc1cc(N2CCN(C(=O)C3(C#N)CC(C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000532073244 468094890 /nfs/dbraw/zinc/09/48/90/468094890.db2.gz XJUHYHAWVFWQQI-UHFFFAOYSA-N 1 2 341.459 2.497 20 30 EEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(C#Cc4ccccc4)cc3)C[C@@H]21 ZINC000532378267 468115520 /nfs/dbraw/zinc/11/55/20/468115520.db2.gz BARSSDQWYUDKCA-SFTDATJTSA-N 1 2 346.430 2.241 20 30 EEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(C#Cc4ccccc4)cc3)C[C@@H]21 ZINC000532378267 468115522 /nfs/dbraw/zinc/11/55/22/468115522.db2.gz BARSSDQWYUDKCA-SFTDATJTSA-N 1 2 346.430 2.241 20 30 EEEDLO CC(=O)NCC[N@@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000576277073 468162865 /nfs/dbraw/zinc/16/28/65/468162865.db2.gz MFFHLNPBOYPUIP-CYBMUJFWSA-N 1 2 348.472 2.087 20 30 EEEDLO CC(=O)NCC[N@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000576277073 468162871 /nfs/dbraw/zinc/16/28/71/468162871.db2.gz MFFHLNPBOYPUIP-CYBMUJFWSA-N 1 2 348.472 2.087 20 30 EEEDLO Cn1cc(C[NH+]2CCN(CC#Cc3cccc(Cl)c3)CC2)cn1 ZINC000533461673 468201772 /nfs/dbraw/zinc/20/17/72/468201772.db2.gz JOMYAHJIYDCYEP-UHFFFAOYSA-N 1 2 328.847 2.243 20 30 EEEDLO C#CCNC(=O)c1ccc(N[C@H](c2[nH+]ccn2C)c2ccccc2)nc1 ZINC000490672203 468232925 /nfs/dbraw/zinc/23/29/25/468232925.db2.gz WQNBUNPXSMJWDU-SFHVURJKSA-N 1 2 345.406 2.380 20 30 EEEDLO C#CC[N@@H+](CC[C@H](C)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490740218 468244594 /nfs/dbraw/zinc/24/45/94/468244594.db2.gz JPVUTQNPKSRWCY-FUHWJXTLSA-N 1 2 335.469 2.104 20 30 EEEDLO C#CC[N@H+](CC[C@H](C)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490740218 468244604 /nfs/dbraw/zinc/24/46/04/468244604.db2.gz JPVUTQNPKSRWCY-FUHWJXTLSA-N 1 2 335.469 2.104 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCOc1ccc2c(c1)CCC2 ZINC000567995409 468252522 /nfs/dbraw/zinc/25/25/22/468252522.db2.gz JPVAEARSIYEQCF-IBGZPJMESA-N 1 2 329.444 2.294 20 30 EEEDLO COc1cc[nH+]cc1CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000590469557 468261556 /nfs/dbraw/zinc/26/15/56/468261556.db2.gz MATIVSIZNDGNKD-QGZVFWFLSA-N 1 2 336.395 2.247 20 30 EEEDLO C[C@@H](NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccc2c(c1)CCCC2 ZINC000592145938 468637231 /nfs/dbraw/zinc/63/72/31/468637231.db2.gz BUNRBCPRQIXCIF-FOIQADDNSA-N 1 2 341.455 2.093 20 30 EEEDLO C[C@@H](NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccc2c(c1)CCCC2 ZINC000592145938 468637233 /nfs/dbraw/zinc/63/72/33/468637233.db2.gz BUNRBCPRQIXCIF-FOIQADDNSA-N 1 2 341.455 2.093 20 30 EEEDLO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149353 468639700 /nfs/dbraw/zinc/63/97/00/468639700.db2.gz NIFYUFUGNKIBSU-SPYBWZPUSA-N 1 2 327.428 2.093 20 30 EEEDLO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149353 468639705 /nfs/dbraw/zinc/63/97/05/468639705.db2.gz NIFYUFUGNKIBSU-SPYBWZPUSA-N 1 2 327.428 2.093 20 30 EEEDLO C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000558174799 468668505 /nfs/dbraw/zinc/66/85/05/468668505.db2.gz GFQLEWZYSBVWMF-IBGZPJMESA-N 1 2 346.394 2.307 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)Cc2c[nH+]c[nH]2)c1 ZINC000595596193 468915673 /nfs/dbraw/zinc/91/56/73/468915673.db2.gz LRTGUYORNXJDKH-UHFFFAOYSA-N 1 2 325.416 2.405 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)Cc2c[nH]c[nH+]2)c1 ZINC000595596193 468915677 /nfs/dbraw/zinc/91/56/77/468915677.db2.gz LRTGUYORNXJDKH-UHFFFAOYSA-N 1 2 325.416 2.405 20 30 EEEDLO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595613944 468923581 /nfs/dbraw/zinc/92/35/81/468923581.db2.gz FYQVJBSRINLOIF-ZIAGYGMSSA-N 1 2 337.431 2.306 20 30 EEEDLO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595613944 468923588 /nfs/dbraw/zinc/92/35/88/468923588.db2.gz FYQVJBSRINLOIF-ZIAGYGMSSA-N 1 2 337.431 2.306 20 30 EEEDLO N#Cc1cccc(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000572481134 468939299 /nfs/dbraw/zinc/93/92/99/468939299.db2.gz RXHUPAUKNAGFGK-UHFFFAOYSA-N 1 2 339.374 2.442 20 30 EEEDLO N#CC1(NC(=O)C[NH+]2CC(c3nc4ccccc4[nH]3)C2)CCCCC1 ZINC000610701298 469044794 /nfs/dbraw/zinc/04/47/94/469044794.db2.gz OMPVRICWVRVMHG-UHFFFAOYSA-N 1 2 337.427 2.305 20 30 EEEDLO COc1cc(C)nc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)n1 ZINC000610719607 469049609 /nfs/dbraw/zinc/04/96/09/469049609.db2.gz FZCJDFCVVGMTGG-UHFFFAOYSA-N 1 2 341.390 2.127 20 30 EEEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000610805417 469075940 /nfs/dbraw/zinc/07/59/40/469075940.db2.gz PSRUWIIQXLWCPT-UHFFFAOYSA-N 1 2 337.379 2.400 20 30 EEEDLO C[N@@H+]1CCN(C(=O)c2cc(O)cc(C#N)c2)C[C@@H]1Cc1ccccc1 ZINC000586841290 469077971 /nfs/dbraw/zinc/07/79/71/469077971.db2.gz QQJCTGPAJWWIDH-SFHVURJKSA-N 1 2 335.407 2.263 20 30 EEEDLO C[N@H+]1CCN(C(=O)c2cc(O)cc(C#N)c2)C[C@@H]1Cc1ccccc1 ZINC000586841290 469077975 /nfs/dbraw/zinc/07/79/75/469077975.db2.gz QQJCTGPAJWWIDH-SFHVURJKSA-N 1 2 335.407 2.263 20 30 EEEDLO Cc1cccc([C@H](CNc2c(C#N)cnn2C)[NH+]2CCOCC2)c1 ZINC000596073011 469140638 /nfs/dbraw/zinc/14/06/38/469140638.db2.gz CXLXIAYZZZNADZ-KRWDZBQOSA-N 1 2 325.416 2.086 20 30 EEEDLO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+]1CCN(CCC#N)CC1 ZINC000611174411 469182056 /nfs/dbraw/zinc/18/20/56/469182056.db2.gz ILVYAVWCYMQBCD-IAGOWNOFSA-N 1 2 340.471 2.274 20 30 EEEDLO CN(C(=O)C[NH+]1CCN(CCC#N)CC1)[C@@H]1CCCc2ccccc21 ZINC000611174398 469182233 /nfs/dbraw/zinc/18/22/33/469182233.db2.gz DKAUAJPARSMAMR-LJQANCHMSA-N 1 2 340.471 2.054 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000563220179 469203810 /nfs/dbraw/zinc/20/38/10/469203810.db2.gz GVBWKLYUMZIDDS-AWEZNQCLSA-N 1 2 330.215 2.332 20 30 EEEDLO CC(C)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)C(=O)OC(C)(C)C ZINC000599354393 469224333 /nfs/dbraw/zinc/22/43/33/469224333.db2.gz UZFUCQMRXNCOGH-NVXWUHKLSA-N 1 2 348.443 2.254 20 30 EEEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2cc(C#N)ncn2)c2ccc(Cl)cc2)C1 ZINC000573902240 469226650 /nfs/dbraw/zinc/22/66/50/469226650.db2.gz CMSLVTVDCXMTRC-WBVHZDCISA-N 1 2 343.818 2.485 20 30 EEEDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2cc(C#N)ncn2)c2ccc(Cl)cc2)C1 ZINC000573902240 469226652 /nfs/dbraw/zinc/22/66/52/469226652.db2.gz CMSLVTVDCXMTRC-WBVHZDCISA-N 1 2 343.818 2.485 20 30 EEEDLO COC(=O)[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)C1CCCCC1 ZINC000599370792 469232947 /nfs/dbraw/zinc/23/29/47/469232947.db2.gz KTRAGGAAPYDRBZ-SJLPKXTDSA-N 1 2 346.427 2.009 20 30 EEEDLO CC(C)[C@H](C)NC(=O)C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551844 469277151 /nfs/dbraw/zinc/27/71/51/469277151.db2.gz VPIATOCMCGOCDI-MAUKXSAKSA-N 1 2 346.450 2.169 20 30 EEEDLO Cc1nccn1CC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551731 469278011 /nfs/dbraw/zinc/27/80/11/469278011.db2.gz SRFBWWGBHTYGTL-SFHVURJKSA-N 1 2 327.407 2.213 20 30 EEEDLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H](CCC#N)c2ccccc2)[C@H](C)CO1 ZINC000596503562 469286073 /nfs/dbraw/zinc/28/60/73/469286073.db2.gz NAPCCZUKVAILQN-JFIYKMOQSA-N 1 2 344.459 2.440 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H](CCC#N)c2ccccc2)[C@H](C)CO1 ZINC000596503562 469286078 /nfs/dbraw/zinc/28/60/78/469286078.db2.gz NAPCCZUKVAILQN-JFIYKMOQSA-N 1 2 344.459 2.440 20 30 EEEDLO CO[C@H]1CC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000596657542 469324662 /nfs/dbraw/zinc/32/46/62/469324662.db2.gz RUQXJZAVUVOFFE-ROUUACIJSA-N 1 2 327.428 2.018 20 30 EEEDLO C[C@H](CC1(C#N)CCOCC1)Nc1cccc(CN2CCOCC2)[nH+]1 ZINC000602577664 469368520 /nfs/dbraw/zinc/36/85/20/469368520.db2.gz IKOCEYOITNXYFD-MRXNPFEDSA-N 1 2 344.459 2.425 20 30 EEEDLO N#CCc1cccc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000619490162 469623952 /nfs/dbraw/zinc/62/39/52/469623952.db2.gz APEZHMMUZJEQLB-OAHLLOKOSA-N 1 2 330.413 2.392 20 30 EEEDLO Cc1oc(NC(=O)CN2CCC[C@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000609157607 469898480 /nfs/dbraw/zinc/89/84/80/469898480.db2.gz JLVRHCGPERJFCE-AWEZNQCLSA-N 1 2 327.388 2.240 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000609484315 469931408 /nfs/dbraw/zinc/93/14/08/469931408.db2.gz AJIBEWUHKIUTLI-INIZCTEOSA-N 1 2 332.404 2.139 20 30 EEEDLO N#Cc1ccc(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)c(F)c1 ZINC000609578115 469942256 /nfs/dbraw/zinc/94/22/56/469942256.db2.gz ULHUNENOKWRKNO-UHFFFAOYSA-N 1 2 330.407 2.054 20 30 EEEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000610079626 469979895 /nfs/dbraw/zinc/97/98/95/469979895.db2.gz BLWVMWMGQWWZLT-CYBMUJFWSA-N 1 2 327.306 2.150 20 30 EEEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000610079626 469979898 /nfs/dbraw/zinc/97/98/98/469979898.db2.gz BLWVMWMGQWWZLT-CYBMUJFWSA-N 1 2 327.306 2.150 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)nn1 ZINC000657418460 471131212 /nfs/dbraw/zinc/13/12/12/471131212.db2.gz GOWRFPQRRHTKKA-QGZVFWFLSA-N 1 2 325.416 2.442 20 30 EEEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000655053037 471257847 /nfs/dbraw/zinc/25/78/47/471257847.db2.gz LOGYPQKPSBHASM-UHFFFAOYSA-N 1 2 340.427 2.260 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1ccccc1N1CCCC1=O)[C@@H](C)COC ZINC000661247039 471687984 /nfs/dbraw/zinc/68/79/84/471687984.db2.gz NLSRNNUEOSWDKY-HNNXBMFYSA-N 1 2 345.443 2.275 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1N1CCCC1=O)[C@@H](C)COC ZINC000661247039 471687991 /nfs/dbraw/zinc/68/79/91/471687991.db2.gz NLSRNNUEOSWDKY-HNNXBMFYSA-N 1 2 345.443 2.275 20 30 EEEDLO C=CCOc1ccc(CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc1 ZINC000664869913 471884259 /nfs/dbraw/zinc/88/42/59/471884259.db2.gz VNTVTGIUSUWOOZ-HOTGVXAUSA-N 1 2 347.459 2.160 20 30 EEEDLO C=CCOc1ccc(CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1 ZINC000664869913 471884263 /nfs/dbraw/zinc/88/42/63/471884263.db2.gz VNTVTGIUSUWOOZ-HOTGVXAUSA-N 1 2 347.459 2.160 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2cc(C)ccc2C)nn1 ZINC000640882421 485483273 /nfs/dbraw/zinc/48/32/73/485483273.db2.gz ZBCHSBKNNFTOEV-OAHLLOKOSA-N 1 2 325.416 2.208 20 30 EEEDLO C=CCN(Cc1ccccc1)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105301601 526355918 /nfs/dbraw/zinc/35/59/18/526355918.db2.gz RUUSOMXNHUVFQD-IAGOWNOFSA-N 1 2 331.460 2.493 20 30 EEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000192236459 526832288 /nfs/dbraw/zinc/83/22/88/526832288.db2.gz JKYBZQMOSQWDMM-SNVBAGLBSA-N 1 2 342.180 2.183 20 30 EEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000192236459 526832293 /nfs/dbraw/zinc/83/22/93/526832293.db2.gz JKYBZQMOSQWDMM-SNVBAGLBSA-N 1 2 342.180 2.183 20 30 EEEDLO CCC(=O)CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000190288506 528291193 /nfs/dbraw/zinc/29/11/93/528291193.db2.gz OIOSPYFDMWMOGX-UHFFFAOYSA-N 1 2 328.372 2.297 20 30 EEEDLO CC(C)(C)c1cnc(CN(CCC#N)CC[NH+]2CCOCC2)s1 ZINC000448224356 535141141 /nfs/dbraw/zinc/14/11/41/535141141.db2.gz QYAWQRHCWMVWLK-UHFFFAOYSA-N 1 2 336.505 2.488 20 30 EEEDLO C=CCCCC(=O)N(C)CCCN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001112167480 782179259 /nfs/dbraw/zinc/17/92/59/782179259.db2.gz YMZDPGQWQQEYJM-UHFFFAOYSA-N 1 2 345.491 2.106 20 30 EEEDLO C=CCCCC(=O)N(C)CCCN(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001112167480 782179264 /nfs/dbraw/zinc/17/92/64/782179264.db2.gz YMZDPGQWQQEYJM-UHFFFAOYSA-N 1 2 345.491 2.106 20 30 EEEDLO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2nnnn2-c2ccccc2)cc1 ZINC000728712230 576520505 /nfs/dbraw/zinc/52/05/05/576520505.db2.gz ZJSFHIYBYSMPGD-AWEZNQCLSA-N 1 2 334.383 2.243 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)cn1 ZINC000728865331 576550187 /nfs/dbraw/zinc/55/01/87/576550187.db2.gz GZILQFJPIXDJPA-UHFFFAOYSA-N 1 2 335.407 2.030 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000730107036 576716240 /nfs/dbraw/zinc/71/62/40/576716240.db2.gz YFXPJUCXBZXKIV-FCEWJHQRSA-N 1 2 341.455 2.336 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000730107036 576716242 /nfs/dbraw/zinc/71/62/42/576716242.db2.gz YFXPJUCXBZXKIV-FCEWJHQRSA-N 1 2 341.455 2.336 20 30 EEEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000773502801 577346946 /nfs/dbraw/zinc/34/69/46/577346946.db2.gz MOBQLUIEDRJWDO-CQSZACIVSA-N 1 2 344.378 2.005 20 30 EEEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000773502801 577346947 /nfs/dbraw/zinc/34/69/47/577346947.db2.gz MOBQLUIEDRJWDO-CQSZACIVSA-N 1 2 344.378 2.005 20 30 EEEDLO CCN(CC)c1ccc(C=[NH+]NC(=S)NCCSC)c(O)c1 ZINC000769598179 577581132 /nfs/dbraw/zinc/58/11/32/577581132.db2.gz DDPLCQRRBDARNR-UHFFFAOYSA-N 1 2 340.518 2.399 20 30 EEEDLO COC(=O)[C@@H](COC(C)C)[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000770356818 577594593 /nfs/dbraw/zinc/59/45/93/577594593.db2.gz ZQAHZCLBKOAHDH-RHSMWYFYSA-N 1 2 334.416 2.376 20 30 EEEDLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000770356818 577594594 /nfs/dbraw/zinc/59/45/94/577594594.db2.gz ZQAHZCLBKOAHDH-RHSMWYFYSA-N 1 2 334.416 2.376 20 30 EEEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@H](C2CC2)CC1=O ZINC000762489292 577702105 /nfs/dbraw/zinc/70/21/05/577702105.db2.gz PHPINUTVHMJBCO-GOSISDBHSA-N 1 2 327.428 2.223 20 30 EEEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C[C@H](C2CC2)CC1=O ZINC000762489292 577702106 /nfs/dbraw/zinc/70/21/06/577702106.db2.gz PHPINUTVHMJBCO-GOSISDBHSA-N 1 2 327.428 2.223 20 30 EEEDLO Cn1c2ccccc2nc1[C@@H](C#N)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000753950208 577797170 /nfs/dbraw/zinc/79/71/70/577797170.db2.gz NYPNUUDBDUZCKH-STQMWFEESA-N 1 2 328.441 2.187 20 30 EEEDLO Cn1c2ccccc2nc1[C@@H](C#N)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000753950208 577797171 /nfs/dbraw/zinc/79/71/71/577797171.db2.gz NYPNUUDBDUZCKH-STQMWFEESA-N 1 2 328.441 2.187 20 30 EEEDLO Cc1ccc2[nH+]cc(C=NN3C(=O)N[C@@](C)(c4ccccc4)C3=O)n2c1 ZINC000755544700 577826631 /nfs/dbraw/zinc/82/66/31/577826631.db2.gz YOFIDRVHTIVMGY-IBGZPJMESA-N 1 2 347.378 2.444 20 30 EEEDLO Cc1csc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000755944339 577835103 /nfs/dbraw/zinc/83/51/03/577835103.db2.gz XDOXQXWGHWSPIV-UHFFFAOYSA-N 1 2 346.456 2.121 20 30 EEEDLO COc1cc([N+](=O)[O-])ccc1N[NH+]=Cc1cnc(N2CCCC2)nc1 ZINC000746681342 577932540 /nfs/dbraw/zinc/93/25/40/577932540.db2.gz GSWKLBIIGMZODU-UHFFFAOYSA-N 1 2 342.359 2.440 20 30 EEEDLO Cc1cccn2cc(CC(=O)OCC(=O)c3cccc(C#N)c3)[nH+]c12 ZINC000748276009 577958640 /nfs/dbraw/zinc/95/86/40/577958640.db2.gz CDQHTPBLFRXUNV-UHFFFAOYSA-N 1 2 333.347 2.483 20 30 EEEDLO C=C1CC[NH+](CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000735403537 578152373 /nfs/dbraw/zinc/15/23/73/578152373.db2.gz YJKRSVAEGWBBMF-UHFFFAOYSA-N 1 2 332.795 2.111 20 30 EEEDLO C=CCOc1ccccc1C(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000969119631 674596214 /nfs/dbraw/zinc/59/62/14/674596214.db2.gz LIDWOEUJOGIMEA-CYBMUJFWSA-N 1 2 344.440 2.107 20 30 EEEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2cccc(F)c2F)C1 ZINC000969526868 675089091 /nfs/dbraw/zinc/08/90/91/675089091.db2.gz QKNSLLJVIWOMGR-LLVKDONJSA-N 1 2 344.365 2.415 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ncc(C(C)C)o3)C2)nc1 ZINC000970517883 675955081 /nfs/dbraw/zinc/95/50/81/675955081.db2.gz CMOQJXGTMHWPNY-OAHLLOKOSA-N 1 2 338.411 2.179 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2nc(C)cs2)C1 ZINC000970570104 675992357 /nfs/dbraw/zinc/99/23/57/675992357.db2.gz GYKVKVYEQPYRAH-QRTARXTBSA-N 1 2 349.500 2.369 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2nc(C)oc2C)C1 ZINC000970572183 675994458 /nfs/dbraw/zinc/99/44/58/675994458.db2.gz SCGGCBNFWQVREI-PUECVXPYSA-N 1 2 347.459 2.209 20 30 EEEDLO C[C@H](NC(=O)c1nccs1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970637151 676041147 /nfs/dbraw/zinc/04/11/47/676041147.db2.gz PIMFQVVMBUESDL-LBPRGKRZSA-N 1 2 326.425 2.265 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](CC=C(Cl)Cl)C2)cn1 ZINC000970767010 676134195 /nfs/dbraw/zinc/13/41/95/676134195.db2.gz OFJNDRFOXQGELP-NSHDSACASA-N 1 2 338.238 2.432 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCC(F)(F)C3)CC2)C1 ZINC000949382824 676183139 /nfs/dbraw/zinc/18/31/39/676183139.db2.gz HZQKEMLIPYOYQK-HNNXBMFYSA-N 1 2 340.414 2.139 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCC(F)(F)C3)CC2)C1 ZINC000949382824 676183141 /nfs/dbraw/zinc/18/31/41/676183141.db2.gz HZQKEMLIPYOYQK-HNNXBMFYSA-N 1 2 340.414 2.139 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc(NC(C)=O)c2)C1 ZINC000970868435 676206866 /nfs/dbraw/zinc/20/68/66/676206866.db2.gz KNKJJJSWRLNZTC-LBPRGKRZSA-N 1 2 335.835 2.448 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccc(C)s3)C2)C1 ZINC000972699170 679661074 /nfs/dbraw/zinc/66/10/74/679661074.db2.gz BCVJHAPHEQGQOX-IBGZPJMESA-N 1 2 346.496 2.316 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccc(C)s3)C2)C1 ZINC000972699170 679661075 /nfs/dbraw/zinc/66/10/75/679661075.db2.gz BCVJHAPHEQGQOX-IBGZPJMESA-N 1 2 346.496 2.316 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2cscn2)C1 ZINC000971191671 676435740 /nfs/dbraw/zinc/43/57/40/676435740.db2.gz ONAQUVXPNICKKX-JTQLQIEISA-N 1 2 330.251 2.198 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2cscn2)C1 ZINC000971191671 676435742 /nfs/dbraw/zinc/43/57/42/676435742.db2.gz ONAQUVXPNICKKX-JTQLQIEISA-N 1 2 330.251 2.198 20 30 EEEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971575025 676629379 /nfs/dbraw/zinc/62/93/79/676629379.db2.gz AQCPKOBZBBNQRM-KBPBESRZSA-N 1 2 343.324 2.491 20 30 EEEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971575025 676629380 /nfs/dbraw/zinc/62/93/80/676629380.db2.gz AQCPKOBZBBNQRM-KBPBESRZSA-N 1 2 343.324 2.491 20 30 EEEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000971575025 676629381 /nfs/dbraw/zinc/62/93/81/676629381.db2.gz AQCPKOBZBBNQRM-KBPBESRZSA-N 1 2 343.324 2.491 20 30 EEEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000971575025 676629382 /nfs/dbraw/zinc/62/93/82/676629382.db2.gz AQCPKOBZBBNQRM-KBPBESRZSA-N 1 2 343.324 2.491 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3nc(C)c(C)o3)C2)nc1 ZINC000972750973 679745612 /nfs/dbraw/zinc/74/56/12/679745612.db2.gz GRCPBEFHNYZPMG-MRXNPFEDSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3nc(C)c(C)o3)C2)nc1 ZINC000972750973 679745613 /nfs/dbraw/zinc/74/56/13/679745613.db2.gz GRCPBEFHNYZPMG-MRXNPFEDSA-N 1 2 338.411 2.014 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC4(CC4)C3)C2)C1 ZINC000972387600 678639077 /nfs/dbraw/zinc/63/90/77/678639077.db2.gz SPEUSVQKAHIPTO-YLJYHZDGSA-N 1 2 330.472 2.283 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC4(CC4)C3)C2)C1 ZINC000972387600 678639081 /nfs/dbraw/zinc/63/90/81/678639081.db2.gz SPEUSVQKAHIPTO-YLJYHZDGSA-N 1 2 330.472 2.283 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccn(C4CCCC4)n3)C2)C1 ZINC000972401737 678686027 /nfs/dbraw/zinc/68/60/27/678686027.db2.gz HPJONVPOZLWBLF-LJQANCHMSA-N 1 2 344.459 2.101 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccn(C4CCCC4)n3)C2)C1 ZINC000972401737 678686028 /nfs/dbraw/zinc/68/60/28/678686028.db2.gz HPJONVPOZLWBLF-LJQANCHMSA-N 1 2 344.459 2.101 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cccc(CC)c3)C2)C1 ZINC000972438191 678741571 /nfs/dbraw/zinc/74/15/71/678741571.db2.gz ODPCLFMBXFMSMV-HXUWFJFHSA-N 1 2 328.456 2.281 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cccc(CC)c3)C2)C1 ZINC000972438191 678741574 /nfs/dbraw/zinc/74/15/74/678741574.db2.gz ODPCLFMBXFMSMV-HXUWFJFHSA-N 1 2 328.456 2.281 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)ccc3C3CC3)C2)C1 ZINC000972480934 678849407 /nfs/dbraw/zinc/84/94/07/678849407.db2.gz WHIVBQNMVGVULU-NRFANRHFSA-N 1 2 338.451 2.423 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)ccc3C3CC3)C2)C1 ZINC000972480934 678849410 /nfs/dbraw/zinc/84/94/10/678849410.db2.gz WHIVBQNMVGVULU-NRFANRHFSA-N 1 2 338.451 2.423 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccc(Cl)cc3)C2)C1 ZINC000972535191 679203401 /nfs/dbraw/zinc/20/34/01/679203401.db2.gz RWIBNXRDQKMZMM-BEFAXECRSA-N 1 2 346.858 2.380 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccc(Cl)cc3)C2)C1 ZINC000972535191 679203404 /nfs/dbraw/zinc/20/34/04/679203404.db2.gz RWIBNXRDQKMZMM-BEFAXECRSA-N 1 2 346.858 2.380 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3cccs3)C2)C1 ZINC000972548944 679250255 /nfs/dbraw/zinc/25/02/55/679250255.db2.gz KYJYLOCSUPGFJO-QAPCUYQASA-N 1 2 332.469 2.178 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3cccs3)C2)C1 ZINC000972548944 679250256 /nfs/dbraw/zinc/25/02/56/679250256.db2.gz KYJYLOCSUPGFJO-QAPCUYQASA-N 1 2 332.469 2.178 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccnc(C)c2)C1 ZINC000972587381 679366242 /nfs/dbraw/zinc/36/62/42/679366242.db2.gz YQBZMRMIAVKDEA-CQSZACIVSA-N 1 2 338.249 2.445 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccnc(C)c2)C1 ZINC000972587381 679366244 /nfs/dbraw/zinc/36/62/44/679366244.db2.gz YQBZMRMIAVKDEA-CQSZACIVSA-N 1 2 338.249 2.445 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4ccn(C)c4c3)C2)C1 ZINC000972626430 679450628 /nfs/dbraw/zinc/45/06/28/679450628.db2.gz CPHGVKPOYQRKHI-HXUWFJFHSA-N 1 2 339.439 2.281 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4ccn(C)c4c3)C2)C1 ZINC000972626430 679450629 /nfs/dbraw/zinc/45/06/29/679450629.db2.gz CPHGVKPOYQRKHI-HXUWFJFHSA-N 1 2 339.439 2.281 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC000972662271 679530605 /nfs/dbraw/zinc/53/06/05/679530605.db2.gz LIIUKCMIEVDWRX-OAHLLOKOSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC000972662271 679530609 /nfs/dbraw/zinc/53/06/09/679530609.db2.gz LIIUKCMIEVDWRX-OAHLLOKOSA-N 1 2 345.834 2.166 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4ncsc4c3)C2)C1 ZINC000972663994 679535016 /nfs/dbraw/zinc/53/50/16/679535016.db2.gz FYQMULAGBOXMOE-GOSISDBHSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4ncsc4c3)C2)C1 ZINC000972663994 679535019 /nfs/dbraw/zinc/53/50/19/679535019.db2.gz FYQMULAGBOXMOE-GOSISDBHSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)C2)C1 ZINC000972668529 679556224 /nfs/dbraw/zinc/55/62/24/679556224.db2.gz ZJILTCOZGFYSQG-DNVCBOLYSA-N 1 2 348.418 2.082 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)C2)C1 ZINC000972668529 679556225 /nfs/dbraw/zinc/55/62/25/679556225.db2.gz ZJILTCOZGFYSQG-DNVCBOLYSA-N 1 2 348.418 2.082 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)C2=COCCC2)C(C)(C)C1 ZINC000972852450 679820660 /nfs/dbraw/zinc/82/06/60/679820660.db2.gz VGWWJCVMFKVHTD-CYBMUJFWSA-N 1 2 343.265 2.416 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)C2=COCCC2)C(C)(C)C1 ZINC000972852450 679820661 /nfs/dbraw/zinc/82/06/61/679820661.db2.gz VGWWJCVMFKVHTD-CYBMUJFWSA-N 1 2 343.265 2.416 20 30 EEEDLO CCc1cnc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C[C@@H]2C)o1 ZINC000947205768 679862058 /nfs/dbraw/zinc/86/20/58/679862058.db2.gz WMKQIJRSKFTTOK-GXTWGEPZSA-N 1 2 341.415 2.220 20 30 EEEDLO CCc1cnc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C[C@@H]2C)o1 ZINC000947205768 679862060 /nfs/dbraw/zinc/86/20/60/679862060.db2.gz WMKQIJRSKFTTOK-GXTWGEPZSA-N 1 2 341.415 2.220 20 30 EEEDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cscn1 ZINC000947205932 679877070 /nfs/dbraw/zinc/87/70/70/679877070.db2.gz YVTDQFVSYZSWQQ-AAEUAGOBSA-N 1 2 329.429 2.126 20 30 EEEDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1cscn1 ZINC000947205932 679877071 /nfs/dbraw/zinc/87/70/71/679877071.db2.gz YVTDQFVSYZSWQQ-AAEUAGOBSA-N 1 2 329.429 2.126 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)c(C)o1 ZINC001024396490 679889039 /nfs/dbraw/zinc/88/90/39/679889039.db2.gz RFOURYZCCUIBGR-OAHLLOKOSA-N 1 2 341.415 2.276 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)c(C)o1 ZINC001024396490 679889040 /nfs/dbraw/zinc/88/90/40/679889040.db2.gz RFOURYZCCUIBGR-OAHLLOKOSA-N 1 2 341.415 2.276 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccnc2ccnn21 ZINC001024475767 679948406 /nfs/dbraw/zinc/94/84/06/679948406.db2.gz YBHYHIZRVBMSGU-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccnc2ccnn21 ZINC001024475767 679948400 /nfs/dbraw/zinc/94/84/00/679948400.db2.gz YBHYHIZRVBMSGU-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO O=C(NC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1)c1csnn1 ZINC001024578694 681225408 /nfs/dbraw/zinc/22/54/08/681225408.db2.gz ZIZGKMXFNTWSER-MRXNPFEDSA-N 1 2 340.452 2.174 20 30 EEEDLO O=C(NC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1)c1csnn1 ZINC001024578694 681225413 /nfs/dbraw/zinc/22/54/13/681225413.db2.gz ZIZGKMXFNTWSER-MRXNPFEDSA-N 1 2 340.452 2.174 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1CNC(=O)c1csnn1 ZINC001024577330 681225777 /nfs/dbraw/zinc/22/57/77/681225777.db2.gz ATMQVAYQXKWLJG-OAHLLOKOSA-N 1 2 341.440 2.194 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)c1csnn1 ZINC001024577330 681225778 /nfs/dbraw/zinc/22/57/78/681225778.db2.gz ATMQVAYQXKWLJG-OAHLLOKOSA-N 1 2 341.440 2.194 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2n[nH]c3c2CCCC3)C(C)(C)C1 ZINC000974773555 685423289 /nfs/dbraw/zinc/42/32/89/685423289.db2.gz KUACDMITBSTGIR-AWEZNQCLSA-N 1 2 336.867 2.481 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2n[nH]c3c2CCCC3)C(C)(C)C1 ZINC000974773555 685423291 /nfs/dbraw/zinc/42/32/91/685423291.db2.gz KUACDMITBSTGIR-AWEZNQCLSA-N 1 2 336.867 2.481 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001024781377 681442786 /nfs/dbraw/zinc/44/27/86/681442786.db2.gz RRKCCAIZZVYHHT-GFCCVEGCSA-N 1 2 328.819 2.204 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001024781377 681442788 /nfs/dbraw/zinc/44/27/88/681442788.db2.gz RRKCCAIZZVYHHT-GFCCVEGCSA-N 1 2 328.819 2.204 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC000983708200 683148351 /nfs/dbraw/zinc/14/83/51/683148351.db2.gz PQDZJFWCOSMGCP-HOTGVXAUSA-N 1 2 344.459 2.242 20 30 EEEDLO C=C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1)c1ccccc1 ZINC001019804891 683455238 /nfs/dbraw/zinc/45/52/38/683455238.db2.gz LMVSLQHUWFOVRY-GOEBONIOSA-N 1 2 328.441 2.198 20 30 EEEDLO Cc1[nH+]c(C=Nn2c(=S)[nH]nc2C(F)(F)F)c2ccccn12 ZINC000914601583 683908128 /nfs/dbraw/zinc/90/81/28/683908128.db2.gz XQLHGDVGAQKORQ-UHFFFAOYSA-N 1 2 326.307 2.424 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2ccon2)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000993093843 683913033 /nfs/dbraw/zinc/91/30/33/683913033.db2.gz NIHRPJFVDJJKRW-MLGOLLRUSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2ccon2)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000993093843 683913037 /nfs/dbraw/zinc/91/30/37/683913037.db2.gz NIHRPJFVDJJKRW-MLGOLLRUSA-N 1 2 342.374 2.468 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)Cc3ncc(C)o3)C2)cn1 ZINC001027656600 693814776 /nfs/dbraw/zinc/81/47/76/693814776.db2.gz UQDKZDRPNBYICF-KRWDZBQOSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3ncc(C)o3)C2)cn1 ZINC001027656600 693814780 /nfs/dbraw/zinc/81/47/80/693814780.db2.gz UQDKZDRPNBYICF-KRWDZBQOSA-N 1 2 338.411 2.096 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cn(C)cn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993193869 684066741 /nfs/dbraw/zinc/06/67/41/684066741.db2.gz BTZWQGCYQZWFPD-WMLDXEAASA-N 1 2 337.427 2.075 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cn(C)cn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993193869 684066745 /nfs/dbraw/zinc/06/67/45/684066745.db2.gz BTZWQGCYQZWFPD-WMLDXEAASA-N 1 2 337.427 2.075 20 30 EEEDLO Cn1c(C[NH2+][C@@H]2CCCN(O)C2=O)nc2cc(C(F)(F)F)ccc21 ZINC000895163653 684162774 /nfs/dbraw/zinc/16/27/74/684162774.db2.gz XAWSUTSKDNYJFB-SNVBAGLBSA-N 1 2 342.321 2.062 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C)no2)cc1 ZINC001029417434 684424225 /nfs/dbraw/zinc/42/42/25/684424225.db2.gz WZONQQXCNSUVOK-HDICACEKSA-N 1 2 335.407 2.453 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C)no2)cc1 ZINC001029417434 684424227 /nfs/dbraw/zinc/42/42/27/684424227.db2.gz WZONQQXCNSUVOK-HDICACEKSA-N 1 2 335.407 2.453 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2F)C[C@@H]1C ZINC000947698650 684974784 /nfs/dbraw/zinc/97/47/84/684974784.db2.gz QOSGDQQMMXYSNP-UWVGGRQHSA-N 1 2 345.216 2.040 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2F)C[C@@H]1C ZINC000947698650 684974785 /nfs/dbraw/zinc/97/47/85/684974785.db2.gz QOSGDQQMMXYSNP-UWVGGRQHSA-N 1 2 345.216 2.040 20 30 EEEDLO C=C(C)CCC(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001060102268 693976972 /nfs/dbraw/zinc/97/69/72/693976972.db2.gz QVFINMGDIKHELM-MRXNPFEDSA-N 1 2 346.475 2.064 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3cncc(OC)n3)CC2(C)C)C1 ZINC000975023915 686036418 /nfs/dbraw/zinc/03/64/18/686036418.db2.gz DVJVNUFESSXBTK-OAHLLOKOSA-N 1 2 344.459 2.168 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cncc(OC)n3)CC2(C)C)C1 ZINC000975023915 686036423 /nfs/dbraw/zinc/03/64/23/686036423.db2.gz DVJVNUFESSXBTK-OAHLLOKOSA-N 1 2 344.459 2.168 20 30 EEEDLO CC(C)c1nsc(C[N@H+](C)C2CCN(C(=O)[C@@H](C)C#N)CC2)n1 ZINC000985331425 686333622 /nfs/dbraw/zinc/33/36/22/686333622.db2.gz GDHNKELXFPNGJH-LBPRGKRZSA-N 1 2 335.477 2.244 20 30 EEEDLO CC(C)c1nsc(C[N@@H+](C)C2CCN(C(=O)[C@@H](C)C#N)CC2)n1 ZINC000985331425 686333629 /nfs/dbraw/zinc/33/36/29/686333629.db2.gz GDHNKELXFPNGJH-LBPRGKRZSA-N 1 2 335.477 2.244 20 30 EEEDLO Cc1cc(N[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)nc(C2CC2)[nH+]1 ZINC001059597822 687298622 /nfs/dbraw/zinc/29/86/22/687298622.db2.gz FOBWDQNQSDVXSQ-OKILXGFUSA-N 1 2 336.399 2.235 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060178175 694256469 /nfs/dbraw/zinc/25/64/69/694256469.db2.gz MNRULHJCRWKKGS-HZPDHXFCSA-N 1 2 346.475 2.218 20 30 EEEDLO C=CCCCC(=O)NCC[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001059861342 690398363 /nfs/dbraw/zinc/39/83/63/690398363.db2.gz ICTZEJWNXISVPO-KRWDZBQOSA-N 1 2 346.475 2.374 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3cnc(C)s3)CC2)nc1 ZINC000989505888 691995373 /nfs/dbraw/zinc/99/53/73/691995373.db2.gz ZWCNHNLXUFDSPY-UHFFFAOYSA-N 1 2 340.452 2.176 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](Cc3cnc(C)s3)CC2)nc1 ZINC000989505888 691995374 /nfs/dbraw/zinc/99/53/74/691995374.db2.gz ZWCNHNLXUFDSPY-UHFFFAOYSA-N 1 2 340.452 2.176 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2cn(CC)nn2)C1 ZINC001027519411 692591666 /nfs/dbraw/zinc/59/16/66/692591666.db2.gz MQRNIXAYBKZBPI-INIZCTEOSA-N 1 2 333.480 2.323 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)Cc2cn(CC)nn2)C1 ZINC001027519411 692591669 /nfs/dbraw/zinc/59/16/69/692591669.db2.gz MQRNIXAYBKZBPI-INIZCTEOSA-N 1 2 333.480 2.323 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH]nc3C2)C(C)(C)C1 ZINC000977609160 692819756 /nfs/dbraw/zinc/81/97/56/692819756.db2.gz BHPULDYYELCCDL-WFASDCNBSA-N 1 2 336.867 2.094 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH]nc3C2)C(C)(C)C1 ZINC000977609160 692819760 /nfs/dbraw/zinc/81/97/60/692819760.db2.gz BHPULDYYELCCDL-WFASDCNBSA-N 1 2 336.867 2.094 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060039886 692978145 /nfs/dbraw/zinc/97/81/45/692978145.db2.gz KVVXAVJRNVSJHV-DNVCBOLYSA-N 1 2 346.475 2.218 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2nc(C)oc2C)C1 ZINC001027586009 693279939 /nfs/dbraw/zinc/27/99/39/693279939.db2.gz UZXPRJLJAGMBQY-JZXOWHBKSA-N 1 2 347.459 2.305 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2nc(C)oc2C)C1 ZINC001027586009 693279942 /nfs/dbraw/zinc/27/99/42/693279942.db2.gz UZXPRJLJAGMBQY-JZXOWHBKSA-N 1 2 347.459 2.305 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1OC ZINC001212349060 1192556057 /nfs/dbraw/zinc/55/60/57/1192556057.db2.gz ITTSYAROPLUOIJ-IAGOWNOFSA-N 1 2 348.491 2.310 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C(C)(C)C)c2)C[C@H]1OC ZINC001212349060 1192556062 /nfs/dbraw/zinc/55/60/62/1192556062.db2.gz ITTSYAROPLUOIJ-IAGOWNOFSA-N 1 2 348.491 2.310 20 30 EEEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3cccc(F)c3F)C2)nc1 ZINC001032135388 1192765594 /nfs/dbraw/zinc/76/55/94/1192765594.db2.gz SLMVQIRDILMESO-UHFFFAOYSA-N 1 2 341.361 2.203 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc2c(c1)nc[nH]c2=O ZINC001481016233 1179501088 /nfs/dbraw/zinc/50/10/88/1179501088.db2.gz GUNGIMHSJKVFJN-UHFFFAOYSA-N 1 2 334.807 2.140 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc2c(c1)nc[nH]c2=O ZINC001481016233 1179501091 /nfs/dbraw/zinc/50/10/91/1179501091.db2.gz GUNGIMHSJKVFJN-UHFFFAOYSA-N 1 2 334.807 2.140 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc2c(c1)OCCO2)C1CC1 ZINC001481196353 1180070823 /nfs/dbraw/zinc/07/08/23/1180070823.db2.gz BSIQEZIDHOZUFT-UHFFFAOYSA-N 1 2 336.819 2.405 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc2c(c1)OCCO2)C1CC1 ZINC001481196353 1180070828 /nfs/dbraw/zinc/07/08/28/1180070828.db2.gz BSIQEZIDHOZUFT-UHFFFAOYSA-N 1 2 336.819 2.405 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@](C)(OC)c2ccccc2F)C1 ZINC001481628415 1181937068 /nfs/dbraw/zinc/93/70/68/1181937068.db2.gz IXQVOJIKRIMZAN-KRWDZBQOSA-N 1 2 340.826 2.488 20 30 EEEDLO C[C@@H](C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1)C(F)(F)F ZINC001481640094 1182012039 /nfs/dbraw/zinc/01/20/39/1182012039.db2.gz CIVBFBNIOBJNSS-JTQLQIEISA-N 1 2 343.324 2.444 20 30 EEEDLO Cc1ncc(C(=O)N2C[C@H]([NH2+]Cc3ccccc3C#N)C(C)(C)C2)[nH]1 ZINC000995547303 1193138078 /nfs/dbraw/zinc/13/80/78/1193138078.db2.gz HRGRNRKIEUIAIW-KRWDZBQOSA-N 1 2 337.427 2.230 20 30 EEEDLO C=CC[C@@H](C)C(=O)N1C[C@@H]2C[N@@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001268968553 1183861554 /nfs/dbraw/zinc/86/15/54/1183861554.db2.gz SEJLLARPPDJJIM-MCIONIFRSA-N 1 2 334.382 2.453 20 30 EEEDLO C=CC[C@@H](C)C(=O)N1C[C@@H]2C[N@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001268968553 1183861556 /nfs/dbraw/zinc/86/15/56/1183861556.db2.gz SEJLLARPPDJJIM-MCIONIFRSA-N 1 2 334.382 2.453 20 30 EEEDLO CCCC[C@H](C)C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001268992009 1183881497 /nfs/dbraw/zinc/88/14/97/1183881497.db2.gz MXEMJYAGDUEMCO-HNNXBMFYSA-N 1 2 328.460 2.367 20 30 EEEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001269388139 1184227035 /nfs/dbraw/zinc/22/70/35/1184227035.db2.gz XPNRKZPXQZPDDA-IAGOWNOFSA-N 1 2 338.411 2.345 20 30 EEEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=O)c3cccc(C#N)c3)C2)C1 ZINC001269714697 1184541657 /nfs/dbraw/zinc/54/16/57/1184541657.db2.gz BLSINUXWSZPCKR-UHFFFAOYSA-N 1 2 338.436 2.281 20 30 EEEDLO CCC(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001211903235 1186718671 /nfs/dbraw/zinc/71/86/71/1186718671.db2.gz HNHJSHDOHAEMOI-QZTJIDSGSA-N 1 2 347.434 2.449 20 30 EEEDLO CCC(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001211903235 1186718674 /nfs/dbraw/zinc/71/86/74/1186718674.db2.gz HNHJSHDOHAEMOI-QZTJIDSGSA-N 1 2 347.434 2.449 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC3CCCCCC3)C2)nn1 ZINC001098740066 1186942028 /nfs/dbraw/zinc/94/20/28/1186942028.db2.gz MNMMDVAKGWNAGH-GOSISDBHSA-N 1 2 343.475 2.135 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)C2=CCOCC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088537110 1187184986 /nfs/dbraw/zinc/18/49/86/1187184986.db2.gz FUZCDVRJDJWSRK-ACJLOTCBSA-N 1 2 343.402 2.123 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)C2=CCOCC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088537110 1187184987 /nfs/dbraw/zinc/18/49/87/1187184987.db2.gz FUZCDVRJDJWSRK-ACJLOTCBSA-N 1 2 343.402 2.123 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]21 ZINC001075885319 1187188341 /nfs/dbraw/zinc/18/83/41/1187188341.db2.gz QSPUYJYNOKURJB-MAUKXSAKSA-N 1 2 340.427 2.317 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C)on3)C[C@H]21 ZINC001075885319 1187188344 /nfs/dbraw/zinc/18/83/44/1187188344.db2.gz QSPUYJYNOKURJB-MAUKXSAKSA-N 1 2 340.427 2.317 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CC2(F)F)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088556747 1187348114 /nfs/dbraw/zinc/34/81/14/1187348114.db2.gz KDXAEIXSKNAEAN-KMUNFCNLSA-N 1 2 337.345 2.432 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CC2(F)F)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088556747 1187348116 /nfs/dbraw/zinc/34/81/16/1187348116.db2.gz KDXAEIXSKNAEAN-KMUNFCNLSA-N 1 2 337.345 2.432 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)COc1ccc(OC)cc1 ZINC001482648704 1187478551 /nfs/dbraw/zinc/47/85/51/1187478551.db2.gz SKDBETDCTSWMDF-UHFFFAOYSA-N 1 2 326.824 2.217 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)COc1ccc(OC)cc1 ZINC001482648704 1187478554 /nfs/dbraw/zinc/47/85/54/1187478554.db2.gz SKDBETDCTSWMDF-UHFFFAOYSA-N 1 2 326.824 2.217 20 30 EEEDLO CN(CCN(C)c1ccncc1C#N)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001105596243 1188232491 /nfs/dbraw/zinc/23/24/91/1188232491.db2.gz ZEOOAAVYUUGAOY-UHFFFAOYSA-N 1 2 334.383 2.038 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCC[C@H]1CNc1ncnc2c1C[N@H+](C)CC2 ZINC001105646275 1188359895 /nfs/dbraw/zinc/35/98/95/1188359895.db2.gz HEAXNDQNKBEIJD-HOCLYGCPSA-N 1 2 343.475 2.128 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCC[C@H]1CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001105646275 1188359898 /nfs/dbraw/zinc/35/98/98/1188359898.db2.gz HEAXNDQNKBEIJD-HOCLYGCPSA-N 1 2 343.475 2.128 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)nc(OC)c3)[C@@H]2C1 ZINC001076185765 1188771110 /nfs/dbraw/zinc/77/11/10/1188771110.db2.gz YOEUQVNECRGFFD-DZGCQCFKSA-N 1 2 335.835 2.297 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)nc(OC)c3)[C@@H]2C1 ZINC001076185765 1188771114 /nfs/dbraw/zinc/77/11/14/1188771114.db2.gz YOEUQVNECRGFFD-DZGCQCFKSA-N 1 2 335.835 2.297 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CCCCCC3)C2)s1 ZINC001076802946 1189170730 /nfs/dbraw/zinc/17/07/30/1189170730.db2.gz ZJXCTBXFHVCPNI-IAGOWNOFSA-N 1 2 347.484 2.251 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CCCCCC3)C2)s1 ZINC001076802946 1189170733 /nfs/dbraw/zinc/17/07/33/1189170733.db2.gz ZJXCTBXFHVCPNI-IAGOWNOFSA-N 1 2 347.484 2.251 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cncc(OC)n3)[C@@H]2C)CC1 ZINC001088838467 1189616914 /nfs/dbraw/zinc/61/69/14/1189616914.db2.gz LDSFZOOBVPYDSI-PBHICJAKSA-N 1 2 344.459 2.311 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cncc(OC)n3)[C@@H]2C)CC1 ZINC001088838467 1189616916 /nfs/dbraw/zinc/61/69/16/1189616916.db2.gz LDSFZOOBVPYDSI-PBHICJAKSA-N 1 2 344.459 2.311 20 30 EEEDLO N#Cc1ccc(NC[C@@H]2CCC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC001105695047 1189648875 /nfs/dbraw/zinc/64/88/75/1189648875.db2.gz RTAMFULJBUBKCC-SUMWQHHRSA-N 1 2 338.415 2.006 20 30 EEEDLO N#Cc1ccc(NC[C@@H]2CCC[C@H]2NC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC001105695047 1189648876 /nfs/dbraw/zinc/64/88/76/1189648876.db2.gz RTAMFULJBUBKCC-SUMWQHHRSA-N 1 2 338.415 2.006 20 30 EEEDLO Cc1nnc(C[NH2+]Cc2ccc(CNC(=O)[C@@H](C)C#N)c(F)c2)s1 ZINC001486523254 1194046011 /nfs/dbraw/zinc/04/60/11/1194046011.db2.gz RXBFSPNLMNWTGJ-JTQLQIEISA-N 1 2 347.419 2.051 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(Cl)ccn1)C2 ZINC001272966009 1194275167 /nfs/dbraw/zinc/27/51/67/1194275167.db2.gz NFYVERGHUJJPCG-GOSISDBHSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(Cl)ccn1)C2 ZINC001272966009 1194275170 /nfs/dbraw/zinc/27/51/70/1194275170.db2.gz NFYVERGHUJJPCG-GOSISDBHSA-N 1 2 349.862 2.362 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cc(C)n(C)n3)C2)cc1 ZINC001033323812 1194417721 /nfs/dbraw/zinc/41/77/21/1194417721.db2.gz YAPKILRNMWKWHV-IBGZPJMESA-N 1 2 336.439 2.056 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cc(C)n(C)n3)C2)cc1 ZINC001033323812 1194417725 /nfs/dbraw/zinc/41/77/25/1194417725.db2.gz YAPKILRNMWKWHV-IBGZPJMESA-N 1 2 336.439 2.056 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn3cc(OC)ccc23)C1 ZINC001033506367 1194639190 /nfs/dbraw/zinc/63/91/90/1194639190.db2.gz VKVCZFGKWRXDFR-CYBMUJFWSA-N 1 2 348.834 2.242 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn3cc(OC)ccc23)C1 ZINC001033506367 1194639192 /nfs/dbraw/zinc/63/91/92/1194639192.db2.gz VKVCZFGKWRXDFR-CYBMUJFWSA-N 1 2 348.834 2.242 20 30 EEEDLO CCN(C(=O)c1cc(C)[nH]n1)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033768361 1195238064 /nfs/dbraw/zinc/23/80/64/1195238064.db2.gz YYKIFYZSHCXRIB-CYBMUJFWSA-N 1 2 343.456 2.388 20 30 EEEDLO CCN(C(=O)c1cc(C)[nH]n1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033768361 1195238068 /nfs/dbraw/zinc/23/80/68/1195238068.db2.gz YYKIFYZSHCXRIB-CYBMUJFWSA-N 1 2 343.456 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cn(C3CCC3)nn2)C1 ZINC001033831869 1195346262 /nfs/dbraw/zinc/34/62/62/1195346262.db2.gz ZZNJMSPOJYSIIG-CQSZACIVSA-N 1 2 337.855 2.292 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cn(C3CCC3)nn2)C1 ZINC001033831869 1195346266 /nfs/dbraw/zinc/34/62/66/1195346266.db2.gz ZZNJMSPOJYSIIG-CQSZACIVSA-N 1 2 337.855 2.292 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1OC(C)C ZINC001018062712 1224276086 /nfs/dbraw/zinc/27/60/86/1224276086.db2.gz ALNXADCFTHUERX-HDICACEKSA-N 1 2 326.440 2.325 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1OC(C)C ZINC001018062712 1224276090 /nfs/dbraw/zinc/27/60/90/1224276090.db2.gz ALNXADCFTHUERX-HDICACEKSA-N 1 2 326.440 2.325 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCn3nccc32)C1 ZINC001033881330 1195437774 /nfs/dbraw/zinc/43/77/74/1195437774.db2.gz PRFGCGXRAVTFGD-LSDHHAIUSA-N 1 2 336.867 2.436 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCn3nccc32)C1 ZINC001033881330 1195437778 /nfs/dbraw/zinc/43/77/78/1195437778.db2.gz PRFGCGXRAVTFGD-LSDHHAIUSA-N 1 2 336.867 2.436 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001108111695 1195690492 /nfs/dbraw/zinc/69/04/92/1195690492.db2.gz HRNQGLAHOGXAOP-GOSISDBHSA-N 1 2 331.391 2.314 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001108111695 1195690496 /nfs/dbraw/zinc/69/04/96/1195690496.db2.gz HRNQGLAHOGXAOP-GOSISDBHSA-N 1 2 331.391 2.314 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c(C)cc(F)cc2C)C1 ZINC001108113586 1195742072 /nfs/dbraw/zinc/74/20/72/1195742072.db2.gz OVVPOQMVYMKKLN-IBGZPJMESA-N 1 2 332.419 2.287 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c(C)cc(F)cc2C)C1 ZINC001108113586 1195742074 /nfs/dbraw/zinc/74/20/74/1195742074.db2.gz OVVPOQMVYMKKLN-IBGZPJMESA-N 1 2 332.419 2.287 20 30 EEEDLO C[C@@H](c1ncccn1)[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001034165830 1195885210 /nfs/dbraw/zinc/88/52/10/1195885210.db2.gz RALKEDWNUXHJMP-DZGCQCFKSA-N 1 2 338.415 2.022 20 30 EEEDLO C[C@@H](c1ncccn1)[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001034165830 1195885215 /nfs/dbraw/zinc/88/52/15/1195885215.db2.gz RALKEDWNUXHJMP-DZGCQCFKSA-N 1 2 338.415 2.022 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cs1 ZINC001034166629 1195886494 /nfs/dbraw/zinc/88/64/94/1195886494.db2.gz ZWQVSNQVEOWWQU-AWEZNQCLSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cs1 ZINC001034166629 1195886499 /nfs/dbraw/zinc/88/64/99/1195886499.db2.gz ZWQVSNQVEOWWQU-AWEZNQCLSA-N 1 2 343.456 2.436 20 30 EEEDLO CC[C@@H](F)C(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108122099 1195963481 /nfs/dbraw/zinc/96/34/81/1195963481.db2.gz MZDMKGASWQCIKC-AEFFLSMTSA-N 1 2 333.407 2.013 20 30 EEEDLO CC[C@@H](F)C(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108122099 1195963483 /nfs/dbraw/zinc/96/34/83/1195963483.db2.gz MZDMKGASWQCIKC-AEFFLSMTSA-N 1 2 333.407 2.013 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCCC[N@@H+](Cc3cc(C)on3)C2)c1 ZINC001034390601 1196177793 /nfs/dbraw/zinc/17/77/93/1196177793.db2.gz BOUDPTGISKEFCF-KRWDZBQOSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCCC[N@H+](Cc3cc(C)on3)C2)c1 ZINC001034390601 1196177796 /nfs/dbraw/zinc/17/77/96/1196177796.db2.gz BOUDPTGISKEFCF-KRWDZBQOSA-N 1 2 338.411 2.144 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ncc(C)o2)C1 ZINC001034441059 1196231474 /nfs/dbraw/zinc/23/14/74/1196231474.db2.gz AAGWMFZVIGLLID-BQFCYCMXSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ncc(C)o2)C1 ZINC001034441059 1196231479 /nfs/dbraw/zinc/23/14/79/1196231479.db2.gz AAGWMFZVIGLLID-BQFCYCMXSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cn(C)nc2Cl)C1 ZINC001034482922 1196292552 /nfs/dbraw/zinc/29/25/52/1196292552.db2.gz NCTDLWBHHVXYQD-LLVKDONJSA-N 1 2 331.247 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cn(C)nc2Cl)C1 ZINC001034482922 1196292555 /nfs/dbraw/zinc/29/25/55/1196292555.db2.gz NCTDLWBHHVXYQD-LLVKDONJSA-N 1 2 331.247 2.410 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(C(F)F)CCCC2)C1 ZINC001108158675 1196726062 /nfs/dbraw/zinc/72/60/62/1196726062.db2.gz HSRIXRSPNXXETL-MRXNPFEDSA-N 1 2 328.403 2.042 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2(C(F)F)CCCC2)C1 ZINC001108158675 1196726066 /nfs/dbraw/zinc/72/60/66/1196726066.db2.gz HSRIXRSPNXXETL-MRXNPFEDSA-N 1 2 328.403 2.042 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2C[C@@H](C)CO2)CC1 ZINC001005737011 1196778948 /nfs/dbraw/zinc/77/89/48/1196778948.db2.gz WDNCGXUBVYHYBV-BXUZGUMPSA-N 1 2 345.281 2.243 20 30 EEEDLO Cc1ccc(C[NH+]2CC3(C2)COCC(=O)N3C2CCCC2)cc1C#N ZINC001273213886 1197561372 /nfs/dbraw/zinc/56/13/72/1197561372.db2.gz LVQSKJYHNSPTRL-UHFFFAOYSA-N 1 2 339.439 2.223 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(CC(C)C)no3)C[C@H]21 ZINC001114348249 1197918453 /nfs/dbraw/zinc/91/84/53/1197918453.db2.gz KEQTWZGQRKECTK-UOIKSKOESA-N 1 2 332.448 2.171 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(CC(C)C)no3)C[C@H]21 ZINC001114348249 1197918461 /nfs/dbraw/zinc/91/84/61/1197918461.db2.gz KEQTWZGQRKECTK-UOIKSKOESA-N 1 2 332.448 2.171 20 30 EEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864985269 1198034195 /nfs/dbraw/zinc/03/41/95/1198034195.db2.gz HBKMPONUWFVTGD-ARJAWSKDSA-N 1 2 329.400 2.172 20 30 EEEDLO C#CCOCCC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000120355473 1198051368 /nfs/dbraw/zinc/05/13/68/1198051368.db2.gz DMSKAHJYZFNDCB-IYBDPMFKSA-N 1 2 330.428 2.274 20 30 EEEDLO C#CCOCCC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000120355473 1198051374 /nfs/dbraw/zinc/05/13/74/1198051374.db2.gz DMSKAHJYZFNDCB-IYBDPMFKSA-N 1 2 330.428 2.274 20 30 EEEDLO C[C@@H]1CN(c2c(Br)cccc2C#N)C[C@H](C)[N@H+]1CCO ZINC000865853373 1198403917 /nfs/dbraw/zinc/40/39/17/1198403917.db2.gz FHPGNTRTACPTDT-TXEJJXNPSA-N 1 2 338.249 2.212 20 30 EEEDLO C[C@@H]1CN(c2c(Br)cccc2C#N)C[C@H](C)[N@@H+]1CCO ZINC000865853373 1198403922 /nfs/dbraw/zinc/40/39/22/1198403922.db2.gz FHPGNTRTACPTDT-TXEJJXNPSA-N 1 2 338.249 2.212 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1OC(C)C ZINC001018226130 1224493940 /nfs/dbraw/zinc/49/39/40/1224493940.db2.gz SQWQDQVWSNXFPH-IYBDPMFKSA-N 1 2 327.428 2.181 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1OC(C)C ZINC001018226130 1224493941 /nfs/dbraw/zinc/49/39/41/1224493941.db2.gz SQWQDQVWSNXFPH-IYBDPMFKSA-N 1 2 327.428 2.181 20 30 EEEDLO COCC[N@H+](CCNC(=O)[C@H]1CC1(C)C)Cc1ccccc1C#N ZINC001411227569 1198938045 /nfs/dbraw/zinc/93/80/45/1198938045.db2.gz WPNTZCZTBKCJMJ-QGZVFWFLSA-N 1 2 329.444 2.169 20 30 EEEDLO COCC[N@@H+](CCNC(=O)[C@H]1CC1(C)C)Cc1ccccc1C#N ZINC001411227569 1198938050 /nfs/dbraw/zinc/93/80/50/1198938050.db2.gz WPNTZCZTBKCJMJ-QGZVFWFLSA-N 1 2 329.444 2.169 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=O)NCCCC)C2)CCC1 ZINC001132101376 1199293200 /nfs/dbraw/zinc/29/32/00/1199293200.db2.gz KKILLRGJPUHQJG-IAGOWNOFSA-N 1 2 347.503 2.065 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=O)NCCCC)C2)CCC1 ZINC001132101376 1199293206 /nfs/dbraw/zinc/29/32/06/1199293206.db2.gz KKILLRGJPUHQJG-IAGOWNOFSA-N 1 2 347.503 2.065 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COc2cc(C)on2)CC[C@H]1C ZINC001132113643 1199325342 /nfs/dbraw/zinc/32/53/42/1199325342.db2.gz DPSYCXBBZXPOFN-YPMHNXCESA-N 1 2 327.812 2.083 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COc2cc(C)on2)CC[C@H]1C ZINC001132113643 1199325348 /nfs/dbraw/zinc/32/53/48/1199325348.db2.gz DPSYCXBBZXPOFN-YPMHNXCESA-N 1 2 327.812 2.083 20 30 EEEDLO C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1Nc1ccc(C#N)nc1 ZINC001067222452 1224548205 /nfs/dbraw/zinc/54/82/05/1224548205.db2.gz IDOHEFWLZRLXDP-SGTLLEGYSA-N 1 2 346.394 2.402 20 30 EEEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nccn2C)C1 ZINC001132228785 1199470153 /nfs/dbraw/zinc/47/01/53/1199470153.db2.gz WJIUEYMCQSHLMY-IRXDYDNUSA-N 1 2 330.476 2.473 20 30 EEEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nccn2C)C1 ZINC001132228785 1199470156 /nfs/dbraw/zinc/47/01/56/1199470156.db2.gz WJIUEYMCQSHLMY-IRXDYDNUSA-N 1 2 330.476 2.473 20 30 EEEDLO CCOC(=O)n1nc2c(c1Nc1ncccc1CC#N)C[NH2+]C2(C)C ZINC001170754127 1199636585 /nfs/dbraw/zinc/63/65/85/1199636585.db2.gz KEQYNHRKOYQOQT-UHFFFAOYSA-N 1 2 340.387 2.431 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2oc(CC)cc2C)CC[C@@H]1C ZINC001132423878 1199675028 /nfs/dbraw/zinc/67/50/28/1199675028.db2.gz CLPDBVMOHRWTPF-GJZGRUSLSA-N 1 2 347.459 2.035 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2oc(CC)cc2C)CC[C@@H]1C ZINC001132423878 1199675030 /nfs/dbraw/zinc/67/50/30/1199675030.db2.gz CLPDBVMOHRWTPF-GJZGRUSLSA-N 1 2 347.459 2.035 20 30 EEEDLO 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/nfs/dbraw/zinc/16/20/75/1222162075.db2.gz SROUSDZXVBWGKD-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)c3ccns3)C2)c1 ZINC001007446331 1222231918 /nfs/dbraw/zinc/23/19/18/1222231918.db2.gz YQPITAZBZJFMMN-HNNXBMFYSA-N 1 2 326.425 2.409 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccns3)C2)c1 ZINC001007446331 1222231922 /nfs/dbraw/zinc/23/19/22/1222231922.db2.gz YQPITAZBZJFMMN-HNNXBMFYSA-N 1 2 326.425 2.409 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)CC2(C)C)c(C)[nH+]1 ZINC001008422070 1222825906 /nfs/dbraw/zinc/82/59/06/1222825906.db2.gz XRWRXZKGEXPNSN-IUODEOHRSA-N 1 2 342.443 2.133 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)c1 ZINC001008468468 1222863509 /nfs/dbraw/zinc/86/35/09/1222863509.db2.gz LVCBXRNNVMYKOO-OAQYLSRUSA-N 1 2 343.430 2.309 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC001008468468 1222863510 /nfs/dbraw/zinc/86/35/10/1222863510.db2.gz LVCBXRNNVMYKOO-OAQYLSRUSA-N 1 2 343.430 2.309 20 30 EEEDLO CCn1cnc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001009230844 1223183350 /nfs/dbraw/zinc/18/33/50/1223183350.db2.gz JHMWDUNDSWDJFJ-KRWDZBQOSA-N 1 2 337.427 2.169 20 30 EEEDLO CCn1cnc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001009230844 1223183351 /nfs/dbraw/zinc/18/33/51/1223183351.db2.gz JHMWDUNDSWDJFJ-KRWDZBQOSA-N 1 2 337.427 2.169 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)c3cnc(C)cn3)C2)nc1 ZINC001009268826 1223194401 /nfs/dbraw/zinc/19/44/01/1223194401.db2.gz LBKDWDKEIZYOKF-RDJZCZTQSA-N 1 2 349.438 2.117 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)c3cnc(C)cn3)C2)nc1 ZINC001009268826 1223194404 /nfs/dbraw/zinc/19/44/04/1223194404.db2.gz LBKDWDKEIZYOKF-RDJZCZTQSA-N 1 2 349.438 2.117 20 30 EEEDLO Cc1nccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001009558822 1223285132 /nfs/dbraw/zinc/28/51/32/1223285132.db2.gz JKOVMTHMCVBPIY-CYBMUJFWSA-N 1 2 341.440 2.113 20 30 EEEDLO Cc1nccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001009558822 1223285133 /nfs/dbraw/zinc/28/51/33/1223285133.db2.gz JKOVMTHMCVBPIY-CYBMUJFWSA-N 1 2 341.440 2.113 20 30 EEEDLO Cc1ncsc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001010317580 1223658573 /nfs/dbraw/zinc/65/85/73/1223658573.db2.gz DTRPGVOWCFSXID-MRXNPFEDSA-N 1 2 325.437 2.307 20 30 EEEDLO Cc1ncsc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001010317580 1223658574 /nfs/dbraw/zinc/65/85/74/1223658574.db2.gz DTRPGVOWCFSXID-MRXNPFEDSA-N 1 2 325.437 2.307 20 30 EEEDLO Cn1ccc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001010561345 1223783429 /nfs/dbraw/zinc/78/34/29/1223783429.db2.gz MQZGAQRDQSDJBF-GOSISDBHSA-N 1 2 325.387 2.020 20 30 EEEDLO Cn1ccc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001010561345 1223783431 /nfs/dbraw/zinc/78/34/31/1223783431.db2.gz MQZGAQRDQSDJBF-GOSISDBHSA-N 1 2 325.387 2.020 20 30 EEEDLO CCc1nc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)co1 ZINC001010676730 1223846409 /nfs/dbraw/zinc/84/64/09/1223846409.db2.gz STIOHWHXAIIPSD-INIZCTEOSA-N 1 2 341.386 2.232 20 30 EEEDLO CCc1nc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)co1 ZINC001010676730 1223846410 /nfs/dbraw/zinc/84/64/10/1223846410.db2.gz STIOHWHXAIIPSD-INIZCTEOSA-N 1 2 341.386 2.232 20 30 EEEDLO Cc1ccn(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010765640 1223896471 /nfs/dbraw/zinc/89/64/71/1223896471.db2.gz FILQCKMKSZKXMR-MRXNPFEDSA-N 1 2 340.402 2.349 20 30 EEEDLO Cc1ccn(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010765640 1223896474 /nfs/dbraw/zinc/89/64/74/1223896474.db2.gz FILQCKMKSZKXMR-MRXNPFEDSA-N 1 2 340.402 2.349 20 30 EEEDLO CCc1onc(C)c1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016228806 1226230261 /nfs/dbraw/zinc/23/02/61/1226230261.db2.gz INASKBPHDQCZMK-KRWDZBQOSA-N 1 2 337.423 2.401 20 30 EEEDLO CCc1onc(C)c1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016228806 1226230271 /nfs/dbraw/zinc/23/02/71/1226230271.db2.gz INASKBPHDQCZMK-KRWDZBQOSA-N 1 2 337.423 2.401 20 30 EEEDLO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)sn1 ZINC001014469621 1226654631 /nfs/dbraw/zinc/65/46/31/1226654631.db2.gz LSLKMNPWWQGKMU-AWEZNQCLSA-N 1 2 342.424 2.028 20 30 EEEDLO COc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)sn1 ZINC001014469621 1226654637 /nfs/dbraw/zinc/65/46/37/1226654637.db2.gz LSLKMNPWWQGKMU-AWEZNQCLSA-N 1 2 342.424 2.028 20 30 EEEDLO CCCn1nccc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001014576245 1226797838 /nfs/dbraw/zinc/79/78/38/1226797838.db2.gz JCZGTJZOOAYHIR-GOSISDBHSA-N 1 2 336.439 2.149 20 30 EEEDLO CCCn1nccc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001014576245 1226797843 /nfs/dbraw/zinc/79/78/43/1226797843.db2.gz JCZGTJZOOAYHIR-GOSISDBHSA-N 1 2 336.439 2.149 20 30 EEEDLO Cn1cc(Cl)c(C[N@H+](C)C[C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC001017127840 1227151319 /nfs/dbraw/zinc/15/13/19/1227151319.db2.gz QHDFNEWWJPXNHW-HNNXBMFYSA-N 1 2 348.878 2.157 20 30 EEEDLO Cn1cc(Cl)c(C[N@@H+](C)C[C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC001017127840 1227151321 /nfs/dbraw/zinc/15/13/21/1227151321.db2.gz QHDFNEWWJPXNHW-HNNXBMFYSA-N 1 2 348.878 2.157 20 30 EEEDLO C=C1CCC(C(=O)N(C)CCCN(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001068092128 1248797551 /nfs/dbraw/zinc/79/75/51/1248797551.db2.gz LUEJHKYAQPIJRJ-UHFFFAOYSA-N 1 2 332.448 2.006 20 30 EEEDLO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@@H]2C)cc1C#N ZINC001017322656 1227331314 /nfs/dbraw/zinc/33/13/14/1227331314.db2.gz WYEGVBOWGOMLOZ-VIBAHUMZSA-N 1 2 339.439 2.398 20 30 EEEDLO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@@H]2C)cc1C#N ZINC001017322656 1227331320 /nfs/dbraw/zinc/33/13/20/1227331320.db2.gz WYEGVBOWGOMLOZ-VIBAHUMZSA-N 1 2 339.439 2.398 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)cc1F ZINC001018878761 1228481626 /nfs/dbraw/zinc/48/16/26/1228481626.db2.gz SGKKDUIJCKAOEA-WCQYABFASA-N 1 2 347.287 2.288 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)cc1F ZINC001018878761 1228481630 /nfs/dbraw/zinc/48/16/30/1228481630.db2.gz SGKKDUIJCKAOEA-WCQYABFASA-N 1 2 347.287 2.288 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)cc1F ZINC001038178750 1229678346 /nfs/dbraw/zinc/67/83/46/1229678346.db2.gz CFDRGBDYYMMTJK-HNNXBMFYSA-N 1 2 342.374 2.038 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)cc1F ZINC001038178750 1229678348 /nfs/dbraw/zinc/67/83/48/1229678348.db2.gz CFDRGBDYYMMTJK-HNNXBMFYSA-N 1 2 342.374 2.038 20 30 EEEDLO Cc1nscc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038181892 1229679590 /nfs/dbraw/zinc/67/95/90/1229679590.db2.gz VKJQDISYBJPBIJ-HNNXBMFYSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1nscc1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038181892 1229679593 /nfs/dbraw/zinc/67/95/93/1229679593.db2.gz VKJQDISYBJPBIJ-HNNXBMFYSA-N 1 2 326.425 2.328 20 30 EEEDLO CC(C)c1n[nH]cc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001038452498 1229835391 /nfs/dbraw/zinc/83/53/91/1229835391.db2.gz ZGPZTOVHRHDZPA-INIZCTEOSA-N 1 2 337.427 2.409 20 30 EEEDLO CC(C)c1n[nH]cc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001038452498 1229835395 /nfs/dbraw/zinc/83/53/95/1229835395.db2.gz ZGPZTOVHRHDZPA-INIZCTEOSA-N 1 2 337.427 2.409 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1oc(C(C)C)nc1C ZINC001038711117 1229990785 /nfs/dbraw/zinc/99/07/85/1229990785.db2.gz UURINMUVDFSCBS-XHSDSOJGSA-N 1 2 347.459 2.388 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1oc(C(C)C)nc1C ZINC001038711117 1229990790 /nfs/dbraw/zinc/99/07/90/1229990790.db2.gz UURINMUVDFSCBS-XHSDSOJGSA-N 1 2 347.459 2.388 20 30 EEEDLO CCn1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c(C)n1 ZINC001038754593 1230024932 /nfs/dbraw/zinc/02/49/32/1230024932.db2.gz TVLOREAWHHZFLE-QGZVFWFLSA-N 1 2 337.427 2.087 20 30 EEEDLO CCn1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)c(C)n1 ZINC001038754593 1230024934 /nfs/dbraw/zinc/02/49/34/1230024934.db2.gz TVLOREAWHHZFLE-QGZVFWFLSA-N 1 2 337.427 2.087 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1c(C)onc1CC ZINC001038806905 1230070715 /nfs/dbraw/zinc/07/07/15/1230070715.db2.gz DCTMTGACELBTSD-VKJFTORMSA-N 1 2 347.459 2.217 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1c(C)onc1CC ZINC001038806905 1230070721 /nfs/dbraw/zinc/07/07/21/1230070721.db2.gz DCTMTGACELBTSD-VKJFTORMSA-N 1 2 347.459 2.217 20 30 EEEDLO CC(C)n1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)cn1 ZINC001038916017 1230161406 /nfs/dbraw/zinc/16/14/06/1230161406.db2.gz XPBFYCSYXBPZMM-SFHVURJKSA-N 1 2 337.427 2.340 20 30 EEEDLO CC(C)n1cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)cn1 ZINC001038916017 1230161408 /nfs/dbraw/zinc/16/14/08/1230161408.db2.gz XPBFYCSYXBPZMM-SFHVURJKSA-N 1 2 337.427 2.340 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)[C@H]2CC[C@H](CC)CC2)C1=O ZINC001038941536 1230180770 /nfs/dbraw/zinc/18/07/70/1230180770.db2.gz ALWMHOHNDKMIMN-XSLAGTTESA-N 1 2 347.503 2.180 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)[C@H]2CC[C@H](CC)CC2)C1=O ZINC001038941536 1230180773 /nfs/dbraw/zinc/18/07/73/1230180773.db2.gz ALWMHOHNDKMIMN-XSLAGTTESA-N 1 2 347.503 2.180 20 30 EEEDLO CCc1onc(C)c1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001039009926 1230233085 /nfs/dbraw/zinc/23/30/85/1230233085.db2.gz PHAJUBDLPHCCMN-INIZCTEOSA-N 1 2 338.411 2.421 20 30 EEEDLO CCc1onc(C)c1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001039009926 1230233087 /nfs/dbraw/zinc/23/30/87/1230233087.db2.gz PHAJUBDLPHCCMN-INIZCTEOSA-N 1 2 338.411 2.421 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc(=O)[nH]1 ZINC001039421373 1230599101 /nfs/dbraw/zinc/59/91/01/1230599101.db2.gz CFQJMUIFRFVVJP-MNOVXSKESA-N 1 2 327.837 2.280 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc(=O)[nH]1 ZINC001039421373 1230599106 /nfs/dbraw/zinc/59/91/06/1230599106.db2.gz CFQJMUIFRFVVJP-MNOVXSKESA-N 1 2 327.837 2.280 20 30 EEEDLO Cn1cncc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001039731270 1230771247 /nfs/dbraw/zinc/77/12/47/1230771247.db2.gz HIARJXPPFUUVEJ-HDICACEKSA-N 1 2 349.438 2.171 20 30 EEEDLO Cn1cncc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001039731270 1230771250 /nfs/dbraw/zinc/77/12/50/1230771250.db2.gz HIARJXPPFUUVEJ-HDICACEKSA-N 1 2 349.438 2.171 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1c1cccc(F)c1C#N ZINC001039819613 1230833005 /nfs/dbraw/zinc/83/30/05/1230833005.db2.gz WDBQIEQEXDMPNJ-OLZOCXBDSA-N 1 2 341.390 2.137 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3nc(CC)no3)C2)C1 ZINC001041538664 1231587730 /nfs/dbraw/zinc/58/77/30/1231587730.db2.gz BJILBOMBDBLBRY-GOSISDBHSA-N 1 2 332.448 2.269 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](Cc3nc(CC)no3)C2)C1 ZINC001041538664 1231587732 /nfs/dbraw/zinc/58/77/32/1231587732.db2.gz BJILBOMBDBLBRY-GOSISDBHSA-N 1 2 332.448 2.269 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@@H](Nc3cc[nH+]c(C)n3)C23CCC3)c1 ZINC001041622280 1231627332 /nfs/dbraw/zinc/62/73/32/1231627332.db2.gz UCQXKZGWKMABBN-IAGOWNOFSA-N 1 2 347.422 2.314 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3nnc(C)o3)[C@@H]2C1 ZINC001042183035 1231941484 /nfs/dbraw/zinc/94/14/84/1231941484.db2.gz HWBRNHQQLRLYAL-LSDHHAIUSA-N 1 2 332.448 2.403 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3nnc(C)o3)[C@@H]2C1 ZINC001042183035 1231941485 /nfs/dbraw/zinc/94/14/85/1231941485.db2.gz HWBRNHQQLRLYAL-LSDHHAIUSA-N 1 2 332.448 2.403 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3nonc3C)[C@H]2C1 ZINC001042183398 1231942075 /nfs/dbraw/zinc/94/20/75/1231942075.db2.gz JTRPMXXEZYRIOS-HOCLYGCPSA-N 1 2 332.448 2.403 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3nonc3C)[C@H]2C1 ZINC001042183398 1231942077 /nfs/dbraw/zinc/94/20/77/1231942077.db2.gz JTRPMXXEZYRIOS-HOCLYGCPSA-N 1 2 332.448 2.403 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](CCc3ccns3)C2)cc1 ZINC001043506408 1232466215 /nfs/dbraw/zinc/46/62/15/1232466215.db2.gz YUFPNUBMZSUNJE-UHFFFAOYSA-N 1 2 325.437 2.123 20 30 EEEDLO CC[C@@H]1C[C@H]1C(=O)N(C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001043925980 1232626937 /nfs/dbraw/zinc/62/69/37/1232626937.db2.gz XJHXFUVOQQSTRB-CRAIPNDOSA-N 1 2 327.428 2.278 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2ncc(CC)o2)CC1 ZINC001045560845 1233817540 /nfs/dbraw/zinc/81/75/40/1233817540.db2.gz XVTVGMDZZJMHQU-CVEARBPZSA-N 1 2 347.459 2.299 20 30 EEEDLO CC1(C)CCC(CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046090287 1234427110 /nfs/dbraw/zinc/42/71/10/1234427110.db2.gz RRZFHSNDYNBGFE-SFHVURJKSA-N 1 2 346.519 2.335 20 30 EEEDLO C[C@]1(NC(=O)c2cc[nH]c2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046335315 1234678440 /nfs/dbraw/zinc/67/84/40/1234678440.db2.gz IYMDJGBGLODHSE-SFHVURJKSA-N 1 2 326.375 2.420 20 30 EEEDLO C[C@]1(NC(=O)c2cc[nH]c2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046335315 1234678443 /nfs/dbraw/zinc/67/84/43/1234678443.db2.gz IYMDJGBGLODHSE-SFHVURJKSA-N 1 2 326.375 2.420 20 30 EEEDLO C[C@]1(NC(=O)c2ccsn2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046411832 1234772727 /nfs/dbraw/zinc/77/27/27/1234772727.db2.gz FFNRHEIRNYOIBY-KRWDZBQOSA-N 1 2 326.425 2.409 20 30 EEEDLO C[C@]1(NC(=O)c2ccsn2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046411832 1234772728 /nfs/dbraw/zinc/77/27/28/1234772728.db2.gz FFNRHEIRNYOIBY-KRWDZBQOSA-N 1 2 326.425 2.409 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 ZINC001046419226 1234781354 /nfs/dbraw/zinc/78/13/54/1234781354.db2.gz VAOHRMOQFHVSOZ-PBHICJAKSA-N 1 2 336.867 2.087 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 ZINC001046419226 1234781358 /nfs/dbraw/zinc/78/13/58/1234781358.db2.gz VAOHRMOQFHVSOZ-PBHICJAKSA-N 1 2 336.867 2.087 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3snnc3C)C2)cc1 ZINC001046533642 1234915433 /nfs/dbraw/zinc/91/54/33/1234915433.db2.gz TVMGSDJLFHAXOY-SFHVURJKSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](Cc3snnc3C)C2)cc1 ZINC001046533642 1234915435 /nfs/dbraw/zinc/91/54/35/1234915435.db2.gz TVMGSDJLFHAXOY-SFHVURJKSA-N 1 2 340.452 2.222 20 30 EEEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(-c3ccoc3)s1)C2 ZINC001096119175 1235049699 /nfs/dbraw/zinc/04/96/99/1235049699.db2.gz FAVYKMLCGRUJJQ-RDBSUJKOSA-N 1 2 327.409 2.371 20 30 EEEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(-c3ccoc3)s1)C2 ZINC001096119175 1235049703 /nfs/dbraw/zinc/04/97/03/1235049703.db2.gz FAVYKMLCGRUJJQ-RDBSUJKOSA-N 1 2 327.409 2.371 20 30 EEEDLO Cc1conc1C(=O)N[C@@]1(C)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046760077 1235157764 /nfs/dbraw/zinc/15/77/64/1235157764.db2.gz MPNIDDNJAXHJPI-IBGZPJMESA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1conc1C(=O)N[C@@]1(C)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046760077 1235157766 /nfs/dbraw/zinc/15/77/66/1235157766.db2.gz MPNIDDNJAXHJPI-IBGZPJMESA-N 1 2 341.386 2.368 20 30 EEEDLO CCCC(=O)NCCC[NH+]1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC001096247477 1236657575 /nfs/dbraw/zinc/65/75/75/1236657575.db2.gz ZIEFNOQGPJQIDV-UHFFFAOYSA-N 1 2 349.866 2.035 20 30 EEEDLO Cc1cc(C(=O)O[C@H]2CC[N@H+](CCF)C2)nn1-c1cccc(C#N)c1 ZINC000802235507 1237148924 /nfs/dbraw/zinc/14/89/24/1237148924.db2.gz NTLRFMXJIQPKID-INIZCTEOSA-N 1 2 342.374 2.253 20 30 EEEDLO Cc1cc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)nn1-c1cccc(C#N)c1 ZINC000802235507 1237148926 /nfs/dbraw/zinc/14/89/26/1237148926.db2.gz NTLRFMXJIQPKID-INIZCTEOSA-N 1 2 342.374 2.253 20 30 EEEDLO Cc1cc(N2CC[C@H](NC(=O)C#CC(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC001096365155 1237736630 /nfs/dbraw/zinc/73/66/30/1237736630.db2.gz UXVUQRNGKCZVDO-HNNXBMFYSA-N 1 2 326.444 2.407 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1)OCC ZINC001096437957 1239214358 /nfs/dbraw/zinc/21/43/58/1239214358.db2.gz LSAGBZADIOMIJF-DLBZAZTESA-N 1 2 346.475 2.468 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001056456117 1239389946 /nfs/dbraw/zinc/38/99/46/1239389946.db2.gz MIRZYUPSJHWAIH-DLBZAZTESA-N 1 2 344.459 2.221 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056457124 1239390995 /nfs/dbraw/zinc/39/09/95/1239390995.db2.gz YTUWWJWDHUNDRF-YESZJQIVSA-N 1 2 344.459 2.077 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001056674149 1239620385 /nfs/dbraw/zinc/62/03/85/1239620385.db2.gz WJXKSZZIFHYVAM-LSDHHAIUSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001056705271 1239691430 /nfs/dbraw/zinc/69/14/30/1239691430.db2.gz TUAQVCNDKJWKGB-HRCADAONSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001056710707 1239704362 /nfs/dbraw/zinc/70/43/62/1239704362.db2.gz TZTPGGBVCKAEFX-LLVKDONJSA-N 1 2 348.838 2.155 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC001056712032 1239707322 /nfs/dbraw/zinc/70/73/22/1239707322.db2.gz KSVVHQSONBIBQH-DOTOQJQBSA-N 1 2 344.459 2.148 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC001056712032 1239707328 /nfs/dbraw/zinc/70/73/28/1239707328.db2.gz KSVVHQSONBIBQH-DOTOQJQBSA-N 1 2 344.459 2.148 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001056725644 1239733199 /nfs/dbraw/zinc/73/31/99/1239733199.db2.gz YVYOAMVJASHJLU-GOEBONIOSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001067881462 1249867672 /nfs/dbraw/zinc/86/76/72/1249867672.db2.gz CIZAIURWYFYUHJ-GOSISDBHSA-N 1 2 334.464 2.170 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2CCCn3nccc32)CC1 ZINC001000854415 1241057027 /nfs/dbraw/zinc/05/70/27/1241057027.db2.gz JDSRGRCQUDTLBR-HNNXBMFYSA-N 1 2 334.851 2.261 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCCn3nccc32)CC1 ZINC001000854415 1241057035 /nfs/dbraw/zinc/05/70/35/1241057035.db2.gz JDSRGRCQUDTLBR-HNNXBMFYSA-N 1 2 334.851 2.261 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H](N(C)c2[nH+]cnc3c2cnn3C)C1 ZINC001057014703 1241249616 /nfs/dbraw/zinc/24/96/16/1241249616.db2.gz UDERJKKOQHALPI-FZKQIMNGSA-N 1 2 342.447 2.003 20 30 EEEDLO C=C1CCC(C(=O)NCC2=CC[N@H+](Cc3ccn(C)n3)CC2)CC1 ZINC001001116640 1241670492 /nfs/dbraw/zinc/67/04/92/1241670492.db2.gz DYTNEGNRJFIHCD-UHFFFAOYSA-N 1 2 328.460 2.415 20 30 EEEDLO C=C1CCC(C(=O)NCC2=CC[N@@H+](Cc3ccn(C)n3)CC2)CC1 ZINC001001116640 1241670499 /nfs/dbraw/zinc/67/04/99/1241670499.db2.gz DYTNEGNRJFIHCD-UHFFFAOYSA-N 1 2 328.460 2.415 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCN(c4cc[nH+]c(C)n4)C[C@H]3C2)C1 ZINC001049653648 1241775005 /nfs/dbraw/zinc/77/50/05/1241775005.db2.gz VAYGITWVBSWPKB-CVEARBPZSA-N 1 2 326.444 2.426 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](Cc4ccon4)C[C@H]32)cc1 ZINC001050108039 1242891318 /nfs/dbraw/zinc/89/13/18/1242891318.db2.gz LXUDSRWMFZUZPJ-PKOBYXMFSA-N 1 2 335.407 2.393 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](Cc4ccon4)C[C@H]32)cc1 ZINC001050108039 1242891325 /nfs/dbraw/zinc/89/13/25/1242891325.db2.gz LXUDSRWMFZUZPJ-PKOBYXMFSA-N 1 2 335.407 2.393 20 30 EEEDLO C=C(C)[C@H](CC(=O)NC[C@@H](Nc1cc[nH+]c(C)n1)C1CC1)OCC ZINC001096746173 1243221698 /nfs/dbraw/zinc/22/16/98/1243221698.db2.gz JSYRZSUGOLNJJL-CVEARBPZSA-N 1 2 332.448 2.463 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050582516 1243886810 /nfs/dbraw/zinc/88/68/10/1243886810.db2.gz YETQFLONUFWWKV-GJZGRUSLSA-N 1 2 346.475 2.298 20 30 EEEDLO Cc1cc(N2CCC[C@@H](CNC(=O)[C@@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001097297989 1243929748 /nfs/dbraw/zinc/92/97/48/1243929748.db2.gz LQNJZQNPXYEDCP-ZFWWWQNUSA-N 1 2 329.448 2.401 20 30 EEEDLO Cc1nc(N2CCC[C@@H](CNC(=O)C#CC(C)C)C2)c(C)c(C)[nH+]1 ZINC001097300000 1243932191 /nfs/dbraw/zinc/93/21/91/1243932191.db2.gz FNJSFQQMBXMJRE-KRWDZBQOSA-N 1 2 328.460 2.394 20 30 EEEDLO C=C1CCC(C(=O)N2CC3(C2)CC[NH+](Cc2cnon2)CC3)CC1 ZINC001050645335 1244023051 /nfs/dbraw/zinc/02/30/51/1244023051.db2.gz IZMNLJWIPWCOSK-UHFFFAOYSA-N 1 2 330.432 2.240 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3cc(C)nc3C1)C2 ZINC001097334024 1244047847 /nfs/dbraw/zinc/04/78/47/1244047847.db2.gz PXQUYOIFDJLXHL-JJXSEGSLSA-N 1 2 348.878 2.228 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3cc(C)nc3C1)C2 ZINC001097334024 1244047853 /nfs/dbraw/zinc/04/78/53/1244047853.db2.gz PXQUYOIFDJLXHL-JJXSEGSLSA-N 1 2 348.878 2.228 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001050817336 1244435266 /nfs/dbraw/zinc/43/52/66/1244435266.db2.gz RYNVIBDLTNSQTL-GDBMZVCRSA-N 1 2 344.459 2.074 20 30 EEEDLO Cc1nc(N[C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)ccc1C#N ZINC001057630833 1244488823 /nfs/dbraw/zinc/48/88/23/1244488823.db2.gz GOAOAGQXDRFLAN-OAHLLOKOSA-N 1 2 338.415 2.021 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001050927709 1244645710 /nfs/dbraw/zinc/64/57/10/1244645710.db2.gz OXUAAFRQYHCWAP-HOTGVXAUSA-N 1 2 346.475 2.177 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001050927709 1244645719 /nfs/dbraw/zinc/64/57/19/1244645719.db2.gz OXUAAFRQYHCWAP-HOTGVXAUSA-N 1 2 346.475 2.177 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001052865826 1245411620 /nfs/dbraw/zinc/41/16/20/1245411620.db2.gz CGJNEIYJXVHNFH-IAGOWNOFSA-N 1 2 346.475 2.230 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001051258860 1245448369 /nfs/dbraw/zinc/44/83/69/1245448369.db2.gz JKPIRHFEDREVAY-MRXNPFEDSA-N 1 2 328.456 2.490 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001051258860 1245448373 /nfs/dbraw/zinc/44/83/73/1245448373.db2.gz JKPIRHFEDREVAY-MRXNPFEDSA-N 1 2 328.456 2.490 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCC)c1[nH+]cnc2c1cnn2C ZINC001101223833 1245538388 /nfs/dbraw/zinc/53/83/88/1245538388.db2.gz OTHIAENAYKTTFB-ZIAGYGMSSA-N 1 2 344.463 2.154 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCCC[C@H]2CN(C)c2cc[nH+]c(C)n2)cn1 ZINC001051336615 1245572499 /nfs/dbraw/zinc/57/24/99/1245572499.db2.gz WUYPCZUQJRFPHT-SFHVURJKSA-N 1 2 349.438 2.292 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)Cc1ccco1)c1nccn12 ZINC001101647612 1246076636 /nfs/dbraw/zinc/07/66/36/1246076636.db2.gz FUWFJCKVHQNYHU-GDBMZVCRSA-N 1 2 340.427 2.113 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)COCCCCCC)c1nccn12 ZINC001101650796 1246083225 /nfs/dbraw/zinc/08/32/25/1246083225.db2.gz BMTWNFHMUZULPT-INIZCTEOSA-N 1 2 346.475 2.238 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1c[nH]c3ccccc13)CCO2 ZINC001053331224 1246193110 /nfs/dbraw/zinc/19/31/10/1246193110.db2.gz NZPNNMGKZKFQMA-UHFFFAOYSA-N 1 2 325.412 2.271 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3C=CCC3)C2)CC1 ZINC001051978486 1246336002 /nfs/dbraw/zinc/33/60/02/1246336002.db2.gz UFGYYXRFTLTBJJ-IAGOWNOFSA-N 1 2 337.895 2.314 20 30 EEEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CC(C)(C)C3CC3)C2)CC1 ZINC001052024506 1246386984 /nfs/dbraw/zinc/38/69/84/1246386984.db2.gz FKVYQFFXOAJBSJ-SFHVURJKSA-N 1 2 331.504 2.055 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccc3ccncc31)CCO2 ZINC001053492795 1246391296 /nfs/dbraw/zinc/39/12/96/1246391296.db2.gz XWHDFLVQVPUXEL-UHFFFAOYSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C(C)(C)c1ccccc1)CCO2 ZINC001053527271 1246435480 /nfs/dbraw/zinc/43/54/80/1246435480.db2.gz NBFVHRXUMZNAEO-UHFFFAOYSA-N 1 2 328.456 2.454 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(F)ccc(C)c3F)C2)CC1 ZINC001052074916 1246449625 /nfs/dbraw/zinc/44/96/25/1246449625.db2.gz ORVQFFCGWYNCLA-OAHLLOKOSA-N 1 2 349.425 2.291 20 30 EEEDLO C=CCOc1ccc(CC(=O)N2CCOC3(C[NH+](C(C)C)C3)C2)cc1 ZINC001053545475 1246457165 /nfs/dbraw/zinc/45/71/65/1246457165.db2.gz XIPGIQFSBLCZPX-UHFFFAOYSA-N 1 2 344.455 2.116 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ncsc3C(C)C)C2)CC1 ZINC001052106183 1246486389 /nfs/dbraw/zinc/48/63/89/1246486389.db2.gz DXTYPQUDHKESKG-HNNXBMFYSA-N 1 2 348.516 2.285 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C[C@H](C)n3cccc3)C2)CC1 ZINC001052109828 1246490281 /nfs/dbraw/zinc/49/02/81/1246490281.db2.gz HYWVXMOSDVRHCW-OALUTQOASA-N 1 2 344.503 2.234 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3CCC(C4CC4)CC3)C2)CC1 ZINC001052113535 1246495301 /nfs/dbraw/zinc/49/53/01/1246495301.db2.gz YKLAJGWXDGBYIC-SOAGJPPSSA-N 1 2 343.515 2.055 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc3ccncc3s1)O2 ZINC001053611313 1246532245 /nfs/dbraw/zinc/53/22/45/1246532245.db2.gz OTMXKVSWOOZMDG-CQSZACIVSA-N 1 2 343.452 2.446 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1Cc3ccccc31)O2 ZINC001053655860 1246598515 /nfs/dbraw/zinc/59/85/15/1246598515.db2.gz SCQDLLRRFZFQTI-AEFFLSMTSA-N 1 2 326.440 2.252 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCC(F)(F)C1)O2 ZINC001053659748 1246604117 /nfs/dbraw/zinc/60/41/17/1246604117.db2.gz XWUCDYGZCYXRAL-KBPBESRZSA-N 1 2 328.403 2.348 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc(OC)c1C)O2 ZINC001053672794 1246623195 /nfs/dbraw/zinc/62/31/95/1246623195.db2.gz NYBKHLIYFLHRCE-HNNXBMFYSA-N 1 2 330.428 2.153 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc(OC)c1C)O2 ZINC001053672795 1246623232 /nfs/dbraw/zinc/62/32/32/1246623232.db2.gz NYBKHLIYFLHRCE-OAHLLOKOSA-N 1 2 330.428 2.153 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ncccc1Cl)O2 ZINC001053693194 1246663500 /nfs/dbraw/zinc/66/35/00/1246663500.db2.gz YQXZYRIEXVGJNH-ZDUSSCGKSA-N 1 2 335.835 2.274 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)oc3ccccc31)CO2 ZINC001053814618 1246828260 /nfs/dbraw/zinc/82/82/60/1246828260.db2.gz RYJSJXLVINIEIM-OAHLLOKOSA-N 1 2 338.407 2.338 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CCC(F)(F)C1)CO2 ZINC001053823929 1246848859 /nfs/dbraw/zinc/84/88/59/1246848859.db2.gz TUNWZOZWZWXIOJ-ZIAGYGMSSA-N 1 2 328.403 2.348 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)n([C@@H](C)CC)n1)CO2 ZINC001053853602 1246912992 /nfs/dbraw/zinc/91/29/92/1246912992.db2.gz JMVIIOLFUDHSMP-HOCLYGCPSA-N 1 2 346.475 2.312 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccnc1C(F)F)CO2 ZINC001053866397 1246935795 /nfs/dbraw/zinc/93/57/95/1246935795.db2.gz ZRQGLKCJBNFVNB-LBPRGKRZSA-N 1 2 337.370 2.168 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001057728303 1246972396 /nfs/dbraw/zinc/97/23/96/1246972396.db2.gz LHDKJLYHBSRPDW-ZDUSSCGKSA-N 1 2 342.447 2.369 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C(C)C)oc1C)CO2 ZINC001053970545 1247082144 /nfs/dbraw/zinc/08/21/44/1247082144.db2.gz PFGDDVCZSXTUPW-OAHLLOKOSA-N 1 2 330.428 2.308 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3ccncc3c1)CO2 ZINC001053975357 1247093416 /nfs/dbraw/zinc/09/34/16/1247093416.db2.gz GIGAQOIMJLGWQH-SFHVURJKSA-N 1 2 337.423 2.384 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C3CC3)s1)CO2 ZINC001053980778 1247104250 /nfs/dbraw/zinc/10/42/50/1247104250.db2.gz DDERUVGUXQISHO-CQSZACIVSA-N 1 2 330.453 2.222 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(CC)c(CC)o1)CO2 ZINC001053984150 1247106784 /nfs/dbraw/zinc/10/67/84/1247106784.db2.gz RCNLLMAMXVWUNU-OAHLLOKOSA-N 1 2 330.428 2.001 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc(C3CC3)s1)CO2 ZINC001053988057 1247111691 /nfs/dbraw/zinc/11/16/91/1247111691.db2.gz XWVWAPBVBBPMCQ-ZDUSSCGKSA-N 1 2 333.457 2.170 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C3CCCCC3)CC1)CO2 ZINC001053994126 1247123251 /nfs/dbraw/zinc/12/32/51/1247123251.db2.gz AJMAAXSXRDIIHM-QGZVFWFLSA-N 1 2 330.472 2.330 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccc(Cl)cc1)CO2 ZINC001053997749 1247128339 /nfs/dbraw/zinc/12/83/39/1247128339.db2.gz WLHFXCCIDIAXTI-INIZCTEOSA-N 1 2 334.847 2.418 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)c(F)c(C)c1)CO2 ZINC001054010168 1247143723 /nfs/dbraw/zinc/14/37/23/1247143723.db2.gz MPAPFPQOSFXNAF-INIZCTEOSA-N 1 2 330.403 2.039 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C)nnc1CC ZINC001054045321 1247219791 /nfs/dbraw/zinc/21/97/91/1247219791.db2.gz OEDYOWUSLLKAOR-SFHVURJKSA-N 1 2 348.450 2.137 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C)nnc1CC ZINC001054045321 1247219797 /nfs/dbraw/zinc/21/97/97/1247219797.db2.gz OEDYOWUSLLKAOR-SFHVURJKSA-N 1 2 348.450 2.137 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccc(OC)n1 ZINC001054057626 1247259662 /nfs/dbraw/zinc/25/96/62/1247259662.db2.gz BDNMAYKPLWSWBF-GOSISDBHSA-N 1 2 349.434 2.270 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccc(OC)n1 ZINC001054057626 1247259673 /nfs/dbraw/zinc/25/96/73/1247259673.db2.gz BDNMAYKPLWSWBF-GOSISDBHSA-N 1 2 349.434 2.270 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001052605734 1247662431 /nfs/dbraw/zinc/66/24/31/1247662431.db2.gz QISRCPCNWHLLAM-UKRRQHHQSA-N 1 2 346.475 2.074 20 30 EEEDLO Cc1cccn2cc(CC(=O)NC[C@@H](C)Nc3ccc(C#N)nc3)[nH+]c12 ZINC001097942122 1248501339 /nfs/dbraw/zinc/50/13/39/1248501339.db2.gz ORWWTVLNRYPQFB-CQSZACIVSA-N 1 2 348.410 2.069 20 30 EEEDLO C#CCCOc1ccc(C(=O)NC[C@H](C)Nc2cc[nH+]c(C)n2)cc1 ZINC001098059397 1250494979 /nfs/dbraw/zinc/49/49/79/1250494979.db2.gz QQZZEGMBCKMYPU-AWEZNQCLSA-N 1 2 338.411 2.418 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H](CNc3cc[nH+]c(C)n3)C[C@@H]2C)nc1 ZINC001068341512 1250842871 /nfs/dbraw/zinc/84/28/71/1250842871.db2.gz PNAIRBDTRVKLIF-BBRMVZONSA-N 1 2 335.411 2.124 20 30 EEEDLO C[C@@H]1C[C@H](CNc2cccc(F)c2C#N)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001068347730 1250860320 /nfs/dbraw/zinc/86/03/20/1250860320.db2.gz NBFYAHKIFIZPTR-CHWSQXEVSA-N 1 2 341.390 2.312 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NC[C@H](C)Nc3ccc(C#N)nc3)ccn12 ZINC001098071183 1251326601 /nfs/dbraw/zinc/32/66/01/1251326601.db2.gz OZBTTYFQWQOPBQ-LBPRGKRZSA-N 1 2 334.383 2.140 20 30 EEEDLO CN(c1cccc(F)c1C#N)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001068734046 1251603308 /nfs/dbraw/zinc/60/33/08/1251603308.db2.gz HBCHJHMLZKXOCB-UHFFFAOYSA-N 1 2 341.390 2.090 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](Nc2cccc(F)c2C#N)[C@@H]1C ZINC001068872089 1251825348 /nfs/dbraw/zinc/82/53/48/1251825348.db2.gz FCQFALPIYNXZLB-SWLSCSKDSA-N 1 2 341.390 2.373 20 30 EEEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CC2CCC(C)(C)CC2)CC1 ZINC001071026887 1253907725 /nfs/dbraw/zinc/90/77/25/1253907725.db2.gz QJDIJCPJAVCXOT-UHFFFAOYSA-N 1 2 349.519 2.429 20 30 EEEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CC2CCC(C)(C)CC2)CC1 ZINC001071026887 1253907729 /nfs/dbraw/zinc/90/77/29/1253907729.db2.gz QJDIJCPJAVCXOT-UHFFFAOYSA-N 1 2 349.519 2.429 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccccn1)C[C@@H](C)O2 ZINC001071125797 1253976212 /nfs/dbraw/zinc/97/62/12/1253976212.db2.gz WRWVRYANJPMXSQ-PBHICJAKSA-N 1 2 335.835 2.140 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccccn1)C[C@@H](C)O2 ZINC001071125797 1253976223 /nfs/dbraw/zinc/97/62/23/1253976223.db2.gz WRWVRYANJPMXSQ-PBHICJAKSA-N 1 2 335.835 2.140 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2cncnc2)C[N@@H+]1Cc1ccccc1C#N ZINC001071447418 1254199146 /nfs/dbraw/zinc/19/91/46/1254199146.db2.gz MPXJPNLAOBPAPG-RDTXWAMCSA-N 1 2 335.411 2.131 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2cncnc2)C[N@H+]1Cc1ccccc1C#N ZINC001071447418 1254199149 /nfs/dbraw/zinc/19/91/49/1254199149.db2.gz MPXJPNLAOBPAPG-RDTXWAMCSA-N 1 2 335.411 2.131 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ncnc3[nH]ccc32)CC[C@@H]1C ZINC001071648016 1254467970 /nfs/dbraw/zinc/46/79/70/1254467970.db2.gz LEHCGWXSEMUNSF-NWDGAFQWSA-N 1 2 333.823 2.245 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ncnc3[nH]ccc32)CC[C@@H]1C ZINC001071648016 1254467984 /nfs/dbraw/zinc/46/79/84/1254467984.db2.gz LEHCGWXSEMUNSF-NWDGAFQWSA-N 1 2 333.823 2.245 20 30 EEEDLO C#CC[N@H+]1C[C@H](NC(=O)c2cc3c(C)nn(C)c3s2)CC[C@@H]1C ZINC001071717321 1254561484 /nfs/dbraw/zinc/56/14/84/1254561484.db2.gz CROYGLODAMKZBO-WCQYABFASA-N 1 2 330.457 2.159 20 30 EEEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2cc3c(C)nn(C)c3s2)CC[C@@H]1C ZINC001071717321 1254561500 /nfs/dbraw/zinc/56/15/00/1254561500.db2.gz CROYGLODAMKZBO-WCQYABFASA-N 1 2 330.457 2.159 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2ncccc2OC)CC[C@@H]1C ZINC001071769493 1254636697 /nfs/dbraw/zinc/63/66/97/1254636697.db2.gz RRNXZJOFIQCUSN-UONOGXRCSA-N 1 2 337.851 2.354 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2ncccc2OC)CC[C@@H]1C ZINC001071769493 1254636709 /nfs/dbraw/zinc/63/67/09/1254636709.db2.gz RRNXZJOFIQCUSN-UONOGXRCSA-N 1 2 337.851 2.354 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C)CC1 ZINC001072318000 1255083143 /nfs/dbraw/zinc/08/31/43/1255083143.db2.gz XPFNLUNSZMKJIJ-ZBFHGGJFSA-N 1 2 344.459 2.052 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C)CC1 ZINC001072318000 1255083148 /nfs/dbraw/zinc/08/31/48/1255083148.db2.gz XPFNLUNSZMKJIJ-ZBFHGGJFSA-N 1 2 344.459 2.052 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001072430268 1255155191 /nfs/dbraw/zinc/15/51/91/1255155191.db2.gz RIHPDVBKMPZLHE-KGLIPLIRSA-N 1 2 346.475 2.253 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H](C)Cc4c[nH]nc43)C2)C1 ZINC001072912778 1255486978 /nfs/dbraw/zinc/48/69/78/1255486978.db2.gz WAUHVZAYQUJJLG-DOMZBBRYSA-N 1 2 348.878 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[C@H](C)Cc4c[nH]nc43)C2)C1 ZINC001072912778 1255486981 /nfs/dbraw/zinc/48/69/81/1255486981.db2.gz WAUHVZAYQUJJLG-DOMZBBRYSA-N 1 2 348.878 2.362 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC001074089833 1256691764 /nfs/dbraw/zinc/69/17/64/1256691764.db2.gz IRULULHZWMJSEO-DZGCQCFKSA-N 1 2 346.475 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N#Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)CCC2CCCC2)[C@@H](O)C1 ZINC001219137894 1297938245 /nfs/dbraw/zinc/93/82/45/1297938245.db2.gz XWIROHKHKDKKCR-MOPGFXCFSA-N 1 2 341.455 2.190 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)cc(F)cc3C)C[C@H]21 ZINC001074310151 1298011153 /nfs/dbraw/zinc/01/11/53/1298011153.db2.gz QTKYEPZDYSFPBQ-QZTJIDSGSA-N 1 2 344.430 2.381 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)cc(F)cc3C)C[C@H]21 ZINC001074310151 1298011165 /nfs/dbraw/zinc/01/11/65/1298011165.db2.gz QTKYEPZDYSFPBQ-QZTJIDSGSA-N 1 2 344.430 2.381 20 30 EEEDLO CC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001219515570 1298043288 /nfs/dbraw/zinc/04/32/88/1298043288.db2.gz PFWMZAREUCYXOK-OLMNPRSZSA-N 1 2 348.874 2.289 20 30 EEEDLO CC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001219515570 1298043295 /nfs/dbraw/zinc/04/32/95/1298043295.db2.gz PFWMZAREUCYXOK-OLMNPRSZSA-N 1 2 348.874 2.289 20 30 EEEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3oc(C4CC4)nc3C)C[C@@H]21 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XYRADBHZJNFPSM-BFUOFWGJSA-N 1 2 346.475 2.298 20 30 EEEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccn(CC)n3)C[C@H]21 ZINC001221754235 1299052283 /nfs/dbraw/zinc/05/22/83/1299052283.db2.gz FFISSNWWGMZSDA-SJLPKXTDSA-N 1 2 328.460 2.129 20 30 EEEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccn(CC)n3)C[C@H]21 ZINC001221754235 1299052267 /nfs/dbraw/zinc/05/22/67/1299052267.db2.gz FFISSNWWGMZSDA-SJLPKXTDSA-N 1 2 328.460 2.129 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C(C)C)[C@@H]2C1 ZINC001221762947 1299067981 /nfs/dbraw/zinc/06/79/81/1299067981.db2.gz OPNAOWHDMXQMKF-NVXWUHKLSA-N 1 2 330.428 2.199 20 30 EEEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C(C)C)[C@@H]2C1 ZINC001221762947 1299067985 /nfs/dbraw/zinc/06/79/85/1299067985.db2.gz OPNAOWHDMXQMKF-NVXWUHKLSA-N 1 2 330.428 2.199 20 30 EEEDLO C=CCCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3ncc(C)s3)C[C@H]21 ZINC001222064166 1299313563 /nfs/dbraw/zinc/31/35/63/1299313563.db2.gz HFNGWMWWHNNQPS-HUUCEWRRSA-N 1 2 335.473 2.077 20 30 EEEDLO C=CCCOCC(=O)N1C[C@H]2CC[N@H+](Cc3ncc(C)s3)C[C@H]21 ZINC001222064166 1299313572 /nfs/dbraw/zinc/31/35/72/1299313572.db2.gz HFNGWMWWHNNQPS-HUUCEWRRSA-N 1 2 335.473 2.077 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C[C@@H]1O ZINC001099727802 1299381363 /nfs/dbraw/zinc/38/13/63/1299381363.db2.gz SKPMHCPSSNOOIQ-GJZGRUSLSA-N 1 2 340.826 2.497 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2Cl)C[C@@H]1O ZINC001099727802 1299381377 /nfs/dbraw/zinc/38/13/77/1299381377.db2.gz SKPMHCPSSNOOIQ-GJZGRUSLSA-N 1 2 340.826 2.497 20 30 EEEDLO C[C@H](CC(=O)NCC[C@H](C)Nc1ncccc1C#N)n1cc[nH+]c1 ZINC001099728942 1299382954 /nfs/dbraw/zinc/38/29/54/1299382954.db2.gz ZELCRZYHSCGQCE-UONOGXRCSA-N 1 2 326.404 2.108 20 30 EEEDLO CCOCC(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001222219098 1299423830 /nfs/dbraw/zinc/42/38/30/1299423830.db2.gz JKBJYDBXECIIEQ-KDOFPFPSSA-N 1 2 345.418 2.157 20 30 EEEDLO CCOCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001222219098 1299423833 /nfs/dbraw/zinc/42/38/33/1299423833.db2.gz JKBJYDBXECIIEQ-KDOFPFPSSA-N 1 2 345.418 2.157 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ncoc2C(C)C)C[C@@H]1O ZINC001099850295 1299438991 /nfs/dbraw/zinc/43/89/91/1299438991.db2.gz NLKONUWGMREWCK-ZBFHGGJFSA-N 1 2 349.475 2.452 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ncoc2C(C)C)C[C@@H]1O ZINC001099850295 1299438994 /nfs/dbraw/zinc/43/89/94/1299438994.db2.gz NLKONUWGMREWCK-ZBFHGGJFSA-N 1 2 349.475 2.452 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2(c3ccccc3)CC2)[C@@H](O)C1 ZINC001099871979 1299453795 /nfs/dbraw/zinc/45/37/95/1299453795.db2.gz NDNZJZFGFRIILY-SJORKVTESA-N 1 2 348.874 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2(c3ccccc3)CC2)[C@@H](O)C1 ZINC001099871979 1299453801 /nfs/dbraw/zinc/45/38/01/1299453801.db2.gz NDNZJZFGFRIILY-SJORKVTESA-N 1 2 348.874 2.412 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C[C@@H]1O ZINC001099943264 1299526338 /nfs/dbraw/zinc/52/63/38/1299526338.db2.gz BEFOOBBCIPCWID-HOTGVXAUSA-N 1 2 338.398 2.228 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C[C@@H]1O ZINC001099943264 1299526346 /nfs/dbraw/zinc/52/63/46/1299526346.db2.gz BEFOOBBCIPCWID-HOTGVXAUSA-N 1 2 338.398 2.228 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCC(C)(C)C)c1nccn12 ZINC001101648297 1299721120 /nfs/dbraw/zinc/72/11/20/1299721120.db2.gz YVFCUUUQRUBJSA-OAHLLOKOSA-N 1 2 328.460 2.305 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)CCNc2nc(C)[nH+]c3c2CCCC3)nc1 ZINC001101709299 1299735182 /nfs/dbraw/zinc/73/51/82/1299735182.db2.gz ZWGAMXNVZLSAEF-UHFFFAOYSA-N 1 2 349.438 2.224 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1C[N@@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001101805641 1299893911 /nfs/dbraw/zinc/89/39/11/1299893911.db2.gz XUDRPYFGZLNRTR-GHMZBOCLSA-N 1 2 328.363 2.158 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1C[N@H+](Cc2nc(C(F)F)no2)C[C@H]1C ZINC001101805641 1299893923 /nfs/dbraw/zinc/89/39/23/1299893923.db2.gz XUDRPYFGZLNRTR-GHMZBOCLSA-N 1 2 328.363 2.158 20 30 EEEDLO C=CCOCC(=O)NC[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001101818334 1299913610 /nfs/dbraw/zinc/91/36/10/1299913610.db2.gz NAJPBIDSXFDHIJ-VXGBXAGGSA-N 1 2 343.880 2.183 20 30 EEEDLO C=CCOCC(=O)NC[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001101818334 1299913617 /nfs/dbraw/zinc/91/36/17/1299913617.db2.gz NAJPBIDSXFDHIJ-VXGBXAGGSA-N 1 2 343.880 2.183 20 30 EEEDLO C#CCCCC(=O)NCC1CC[NH+](Cc2cn(C(C)(C)C)nn2)CC1 ZINC001223012645 1299953177 /nfs/dbraw/zinc/95/31/77/1299953177.db2.gz LSESTVIKPMOYGP-UHFFFAOYSA-N 1 2 345.491 2.165 20 30 EEEDLO Cc1cc(CN2C[C@H]3C[C@@H](C2)[N@H+]3Cc2ccc(C#N)cc2C)n(C)n1 ZINC001276858280 1299961440 /nfs/dbraw/zinc/96/14/40/1299961440.db2.gz DOHUTZSYLJSHQD-BGYRXZFFSA-N 1 2 335.455 2.367 20 30 EEEDLO Cc1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+]3Cc2ccc(C#N)cc2C)n(C)n1 ZINC001276858280 1299961443 /nfs/dbraw/zinc/96/14/43/1299961443.db2.gz DOHUTZSYLJSHQD-BGYRXZFFSA-N 1 2 335.455 2.367 20 30 EEEDLO Cc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2ccc(C#N)cc2C)n(C)n1 ZINC001276858280 1299961448 /nfs/dbraw/zinc/96/14/48/1299961448.db2.gz DOHUTZSYLJSHQD-BGYRXZFFSA-N 1 2 335.455 2.367 20 30 EEEDLO Cc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2ccc(C#N)cc2C)n(C)n1 ZINC001276858280 1299961452 /nfs/dbraw/zinc/96/14/52/1299961452.db2.gz DOHUTZSYLJSHQD-BGYRXZFFSA-N 1 2 335.455 2.367 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C)no3)[C@H]2C1 ZINC001223338034 1300088711 /nfs/dbraw/zinc/08/87/11/1300088711.db2.gz GSKPLGBAPOAWEF-XHSDSOJGSA-N 1 2 332.448 2.403 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C)no3)[C@H]2C1 ZINC001223338034 1300088724 /nfs/dbraw/zinc/08/87/24/1300088724.db2.gz GSKPLGBAPOAWEF-XHSDSOJGSA-N 1 2 332.448 2.403 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(CC)nn3)[C@H]2C1 ZINC001223406267 1300120690 /nfs/dbraw/zinc/12/06/90/1300120690.db2.gz SYCVURAEUFWKHN-WBVHZDCISA-N 1 2 331.464 2.077 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3cn(CC)nn3)[C@H]2C1 ZINC001223406267 1300120695 /nfs/dbraw/zinc/12/06/95/1300120695.db2.gz SYCVURAEUFWKHN-WBVHZDCISA-N 1 2 331.464 2.077 20 30 EEEDLO C=CCCC(=O)NCCCN(c1[nH+]cnc2c1cnn2C)C(C)C ZINC001102091881 1300285660 /nfs/dbraw/zinc/28/56/60/1300285660.db2.gz ZNMGSRSUFCKSFR-UHFFFAOYSA-N 1 2 330.436 2.051 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@H](Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001102172711 1300497055 /nfs/dbraw/zinc/49/70/55/1300497055.db2.gz XQRCICUBXKRVDO-PBHICJAKSA-N 1 2 338.411 2.093 20 30 EEEDLO N#Cc1ccc(N[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)c2ccccc2)cn1 ZINC001102180891 1300514436 /nfs/dbraw/zinc/51/44/36/1300514436.db2.gz HOIOOVBYLUQYQE-SFHVURJKSA-N 1 2 346.394 2.188 20 30 EEEDLO C=CCCCC(=O)NCC1CC[NH+](CC(=O)Nc2cc(C)on2)CC1 ZINC001224273067 1300520692 /nfs/dbraw/zinc/52/06/92/1300520692.db2.gz NYRQGUBJACPWCA-UHFFFAOYSA-N 1 2 348.447 2.106 20 30 EEEDLO C=C1CC(C)(C(=O)NCC2CC[NH+](Cc3nnc(C4CC4)[nH]3)CC2)C1 ZINC001224476939 1300611963 /nfs/dbraw/zinc/61/19/63/1300611963.db2.gz NGSRUIDWZQSITQ-UHFFFAOYSA-N 1 2 343.475 2.367 20 30 EEEDLO C#Cc1ccc(C(=O)N(CCC)[C@@H]2CCN(c3cc[nH+]c(C)n3)C2)nc1 ZINC001102248055 1300668239 /nfs/dbraw/zinc/66/82/39/1300668239.db2.gz YFNIZFYBPXOBBE-QGZVFWFLSA-N 1 2 349.438 2.292 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC1CC[NH+](Cc2nnc(CC)n2C)CC1 ZINC001224681987 1300698647 /nfs/dbraw/zinc/69/86/47/1300698647.db2.gz GWXWVMGMTQEPFU-UHFFFAOYSA-N 1 2 347.507 2.308 20 30 EEEDLO COc1ccc(N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)cc1F ZINC001277008830 1300787322 /nfs/dbraw/zinc/78/73/22/1300787322.db2.gz AWGJCTMGHBGFIS-UHFFFAOYSA-N 1 2 340.402 2.367 20 30 EEEDLO COCc1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)NC2(C#N)CCC2)s1 ZINC001277099384 1301260780 /nfs/dbraw/zinc/26/07/80/1301260780.db2.gz HGJLPCKTSJARRN-SCLBCKFNSA-N 1 2 345.468 2.421 20 30 EEEDLO COCc1ccc(C[N@H+]2CC[C@H]3C[C@]32C(=O)NC2(C#N)CCC2)s1 ZINC001277099384 1301260786 /nfs/dbraw/zinc/26/07/86/1301260786.db2.gz HGJLPCKTSJARRN-SCLBCKFNSA-N 1 2 345.468 2.421 20 30 EEEDLO COC(=O)c1cnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c2ccccc12 ZINC001226211198 1301302309 /nfs/dbraw/zinc/30/23/09/1301302309.db2.gz HRZGUDXRUPXIRW-GNIVYFPLSA-N 1 2 340.379 2.013 20 30 EEEDLO COC(=O)c1cnc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c2ccccc12 ZINC001226211198 1301302318 /nfs/dbraw/zinc/30/23/18/1301302318.db2.gz HRZGUDXRUPXIRW-GNIVYFPLSA-N 1 2 340.379 2.013 20 30 EEEDLO C[C@H](C#N)C(=O)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC001226626085 1301484258 /nfs/dbraw/zinc/48/42/58/1301484258.db2.gz TZYYZEYUURTMAU-CQSZACIVSA-N 1 2 329.831 2.432 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001102752409 1301550845 /nfs/dbraw/zinc/55/08/45/1301550845.db2.gz GXCFRHFNKGCTEF-ZIAGYGMSSA-N 1 2 342.447 2.003 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC1CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC001227076131 1301676229 /nfs/dbraw/zinc/67/62/29/1301676229.db2.gz FRHJTMDZGSUNNQ-IBGZPJMESA-N 1 2 349.475 2.380 20 30 EEEDLO C#CCCCC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2C)CC1 ZINC001227075876 1301676906 /nfs/dbraw/zinc/67/69/06/1301676906.db2.gz BCEMUAMXSOPSEB-UHFFFAOYSA-N 1 2 341.455 2.318 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CCCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102858893 1301781581 /nfs/dbraw/zinc/78/15/81/1301781581.db2.gz VQBPKWGTOLAKHU-QFBILLFUSA-N 1 2 346.475 2.204 20 30 EEEDLO C=C(C)[C@H](CC(=O)NC1CC[NH+](Cc2nccn2CC)CC1)OCC ZINC001227607170 1301907697 /nfs/dbraw/zinc/90/76/97/1301907697.db2.gz MCQQOEVBTSYVDU-KRWDZBQOSA-N 1 2 348.491 2.355 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NC1CC[NH+](Cc2ccn(CC)n2)CC1)OCC ZINC001227628707 1301915167 /nfs/dbraw/zinc/91/51/67/1301915167.db2.gz GTHIZHFDSDCBPG-GOSISDBHSA-N 1 2 348.491 2.355 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCC[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001102927735 1301948237 /nfs/dbraw/zinc/94/82/37/1301948237.db2.gz WBSPMXFFUTVAFW-GDBMZVCRSA-N 1 2 332.448 2.099 20 30 EEEDLO N#CCC1CN(C(=O)c2ccc3c(n2)CC[N@@H+](Cc2ccco2)C3)C1 ZINC001277399310 1302860912 /nfs/dbraw/zinc/86/09/12/1302860912.db2.gz IPIMSRHFCCXJLG-UHFFFAOYSA-N 1 2 336.395 2.219 20 30 EEEDLO N#CCC1CN(C(=O)c2ccc3c(n2)CC[N@H+](Cc2ccco2)C3)C1 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N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)COC3CCCC3)C2)c(F)c1 ZINC001367022200 1374083377 /nfs/dbraw/zinc/08/33/77/1374083377.db2.gz HKVGHSAXSBPELN-MRXNPFEDSA-N 1 2 345.418 2.347 20 30 EEEDLO CCCN(C(=O)[C@@H](C)C#N)C1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001370088210 1374795924 /nfs/dbraw/zinc/79/59/24/1374795924.db2.gz LGROITOIYDRNCF-STQMWFEESA-N 1 2 333.436 2.302 20 30 EEEDLO C[N@H+](CCNC(=O)c1cncc(F)c1)Cc1cc(C#N)ccc1F ZINC001371942156 1375678877 /nfs/dbraw/zinc/67/88/77/1375678877.db2.gz AJUWOQWTSNEGLD-UHFFFAOYSA-N 1 2 330.338 2.093 20 30 EEEDLO C[N@@H+](CCNC(=O)c1cncc(F)c1)Cc1cc(C#N)ccc1F ZINC001371942156 1375678884 /nfs/dbraw/zinc/67/88/84/1375678884.db2.gz AJUWOQWTSNEGLD-UHFFFAOYSA-N 1 2 330.338 2.093 20 30 EEEDLO Cc1n[nH]c(C)c1[C@H](C)C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001372154960 1375815583 /nfs/dbraw/zinc/81/55/83/1375815583.db2.gz IYBOPUMZCZIJBW-ZDUSSCGKSA-N 1 2 339.443 2.250 20 30 EEEDLO Cc1n[nH]c(C)c1[C@H](C)C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001372154960 1375815589 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C=C(Cl)C[N@@H+](C)CCNC(=O)c1cc2c(C)nn(C)c2s1 ZINC001390792560 1388786095 /nfs/dbraw/zinc/78/60/95/1388786095.db2.gz RSBVCBXURDXDCI-UHFFFAOYSA-N 1 2 326.853 2.357 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1cc2c(C)nn(C)c2s1 ZINC001390792560 1388786097 /nfs/dbraw/zinc/78/60/97/1388786097.db2.gz RSBVCBXURDXDCI-UHFFFAOYSA-N 1 2 326.853 2.357 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C2(COCC)CC2)C1 ZINC001391606170 1389466696 /nfs/dbraw/zinc/46/66/96/1389466696.db2.gz AUZILAWDCJHMRS-ZDUSSCGKSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C2(COCC)CC2)C1 ZINC001391606170 1389466701 /nfs/dbraw/zinc/46/67/01/1389466701.db2.gz AUZILAWDCJHMRS-ZDUSSCGKSA-N 1 2 345.281 2.244 20 30 EEEDLO C#CCOCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ncoc1C(C)C ZINC001752819277 1406440545 /nfs/dbraw/zinc/44/05/45/1406440545.db2.gz SMLFTOIZWVDPRZ-MRXNPFEDSA-N 1 2 347.459 2.309 20 30 EEEDLO C#CCOCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ncoc1C(C)C ZINC001752819277 1406440549 /nfs/dbraw/zinc/44/05/49/1406440549.db2.gz SMLFTOIZWVDPRZ-MRXNPFEDSA-N 1 2 347.459 2.309 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)[C@@]1(C)CCOC1 ZINC001393643078 1390508761 /nfs/dbraw/zinc/50/87/61/1390508761.db2.gz NRCGCMLBSWRNPR-AWEZNQCLSA-N 1 2 333.270 2.102 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)[C@@]1(C)CCOC1 ZINC001393643078 1390508762 /nfs/dbraw/zinc/50/87/62/1390508762.db2.gz NRCGCMLBSWRNPR-AWEZNQCLSA-N 1 2 333.270 2.102 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001394269007 1390665685 /nfs/dbraw/zinc/66/56/85/1390665685.db2.gz VDYGBFBEPUGXLH-LBPRGKRZSA-N 1 2 338.883 2.251 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)COCc1cc(C)on1 ZINC001398740463 1394172080 /nfs/dbraw/zinc/17/20/80/1394172080.db2.gz OSVUCJNCAVLKTI-HNNXBMFYSA-N 1 2 341.839 2.223 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)COCc1cc(C)on1 ZINC001398740463 1394172082 /nfs/dbraw/zinc/17/20/82/1394172082.db2.gz OSVUCJNCAVLKTI-HNNXBMFYSA-N 1 2 341.839 2.223 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cnc2cc(OC)ccn21)C1CC1 ZINC001400010769 1395806126 /nfs/dbraw/zinc/80/61/26/1395806126.db2.gz FKPJQNYEIFTSFJ-UHFFFAOYSA-N 1 2 348.834 2.290 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cnc2cc(OC)ccn21)C1CC1 ZINC001400010769 1395806135 /nfs/dbraw/zinc/80/61/35/1395806135.db2.gz FKPJQNYEIFTSFJ-UHFFFAOYSA-N 1 2 348.834 2.290 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1nc(C2CC2)no1 ZINC001754861843 1406967033 /nfs/dbraw/zinc/96/70/33/1406967033.db2.gz HMJORVWCXKNBIL-LSDHHAIUSA-N 1 2 330.432 2.479 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1nc(C2CC2)no1 ZINC001754861843 1406967042 /nfs/dbraw/zinc/96/70/42/1406967042.db2.gz HMJORVWCXKNBIL-LSDHHAIUSA-N 1 2 330.432 2.479 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](OCC)C1CCCC1)CO2 ZINC001755064150 1407073880 /nfs/dbraw/zinc/07/38/80/1407073880.db2.gz UWWKVULXTUEEAI-DLBZAZTESA-N 1 2 336.476 2.117 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](F)Cc1ccccc1)CO2 ZINC001755065329 1407075217 /nfs/dbraw/zinc/07/52/17/1407075217.db2.gz IXWSQGGZGGRDGM-IAGOWNOFSA-N 1 2 332.419 2.103 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)CCn3nc(C)cc3C)cc2C1 ZINC001755102165 1407115451 /nfs/dbraw/zinc/11/54/51/1407115451.db2.gz KGFSHGHBZPGYGZ-UHFFFAOYSA-N 1 2 336.439 2.155 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)CCn3nc(C)cc3C)cc2C1 ZINC001755102165 1407115455 /nfs/dbraw/zinc/11/54/55/1407115455.db2.gz KGFSHGHBZPGYGZ-UHFFFAOYSA-N 1 2 336.439 2.155 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CC[N@H+](Cc2nc(C3CC3)no2)[C@@H](C)C1 ZINC001755165549 1407177179 /nfs/dbraw/zinc/17/71/79/1407177179.db2.gz NCMILZFAOADFPC-ZFWWWQNUSA-N 1 2 348.447 2.009 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CC[N@@H+](Cc2nc(C3CC3)no2)[C@@H](C)C1 ZINC001755165549 1407177184 /nfs/dbraw/zinc/17/71/84/1407177184.db2.gz NCMILZFAOADFPC-ZFWWWQNUSA-N 1 2 348.447 2.009 20 30 EEEDLO C=CCOCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC001755189826 1407197008 /nfs/dbraw/zinc/19/70/08/1407197008.db2.gz TXQYOKUNYRDJFS-HNNXBMFYSA-N 1 2 347.459 2.179 20 30 EEEDLO C=CCOCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC001755189826 1407197015 /nfs/dbraw/zinc/19/70/15/1407197015.db2.gz TXQYOKUNYRDJFS-HNNXBMFYSA-N 1 2 347.459 2.179 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncc(C(C)C)o1 ZINC001755192995 1407202041 /nfs/dbraw/zinc/20/20/41/1407202041.db2.gz PCGODRXQQAPJKN-HOTGVXAUSA-N 1 2 347.459 2.259 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncc(C(C)C)o1 ZINC001755192995 1407202054 /nfs/dbraw/zinc/20/20/54/1407202054.db2.gz PCGODRXQQAPJKN-HOTGVXAUSA-N 1 2 347.459 2.259 20 30 EEEDLO COCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1cccc(Cl)c1F ZINC001426156637 1401919661 /nfs/dbraw/zinc/91/96/61/1401919661.db2.gz SZJNUHWRHXPAGA-LBPRGKRZSA-N 1 2 341.814 2.203 20 30 EEEDLO COCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1cccc(Cl)c1F ZINC001426156637 1401919664 /nfs/dbraw/zinc/91/96/64/1401919664.db2.gz SZJNUHWRHXPAGA-LBPRGKRZSA-N 1 2 341.814 2.203 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1CC[N@H+](Cc2cnn[nH]2)CC(C)(C)C1 ZINC001574883448 1403527886 /nfs/dbraw/zinc/52/78/86/1403527886.db2.gz WYRFHUYNHMTXHD-MRXNPFEDSA-N 1 2 345.491 2.495 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cnn[nH]2)CC(C)(C)C1 ZINC001574883448 1403527887 /nfs/dbraw/zinc/52/78/87/1403527887.db2.gz WYRFHUYNHMTXHD-MRXNPFEDSA-N 1 2 345.491 2.495 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1CC[N@H+](Cc2c[nH]nn2)CC(C)(C)C1 ZINC001574883448 1403527891 /nfs/dbraw/zinc/52/78/91/1403527891.db2.gz WYRFHUYNHMTXHD-MRXNPFEDSA-N 1 2 345.491 2.495 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2c[nH]nn2)CC(C)(C)C1 ZINC001574883448 1403527895 /nfs/dbraw/zinc/52/78/95/1403527895.db2.gz WYRFHUYNHMTXHD-MRXNPFEDSA-N 1 2 345.491 2.495 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCCOc2cccnc2)C1 ZINC001755393043 1407400896 /nfs/dbraw/zinc/40/08/96/1407400896.db2.gz ZVZGWUYORQNKQO-CQSZACIVSA-N 1 2 337.851 2.430 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001732152853 1405933168 /nfs/dbraw/zinc/93/31/68/1405933168.db2.gz ILKSRRTTWNYKOG-RDJZCZTQSA-N 1 2 335.492 2.086 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001732152853 1405933173 /nfs/dbraw/zinc/93/31/73/1405933173.db2.gz ILKSRRTTWNYKOG-RDJZCZTQSA-N 1 2 335.492 2.086 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@@H]2[C@H]3C[N@H+]([C@@H](C)c4nnc(CC)[nH]4)C[C@H]32)C1 ZINC001755430805 1407446950 /nfs/dbraw/zinc/44/69/50/1407446950.db2.gz GHHSIQLOEFORKX-ZQDZILKHSA-N 1 2 343.475 2.078 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](C)c4nnc(CC)[nH]4)C[C@H]32)C1 ZINC001755430805 1407446957 /nfs/dbraw/zinc/44/69/57/1407446957.db2.gz GHHSIQLOEFORKX-ZQDZILKHSA-N 1 2 343.475 2.078 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc3n(n2)CCCC3)[C@@H]1C ZINC001755732022 1407792561 /nfs/dbraw/zinc/79/25/61/1407792561.db2.gz QXWJLDOMUSXCSB-VQIMIIECSA-N 1 2 342.487 2.492 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc3n(n2)CCCC3)[C@@H]1C ZINC001755732022 1407792567 /nfs/dbraw/zinc/79/25/67/1407792567.db2.gz QXWJLDOMUSXCSB-VQIMIIECSA-N 1 2 342.487 2.492 20 30 EEEDLO C#CCCCC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1c(F)cccc1F ZINC001755799772 1407853165 /nfs/dbraw/zinc/85/31/65/1407853165.db2.gz AORQKFUIPYAMOY-CQSZACIVSA-N 1 2 338.398 2.019 20 30 EEEDLO C#CCCCC(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1c(F)cccc1F ZINC001755799772 1407853169 /nfs/dbraw/zinc/85/31/69/1407853169.db2.gz AORQKFUIPYAMOY-CQSZACIVSA-N 1 2 338.398 2.019 20 30 EEEDLO C=CCCCC(=O)N[C@@H](C)C1CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC001755847748 1407898221 /nfs/dbraw/zinc/89/82/21/1407898221.db2.gz IAPDHYFEWBFZLC-AWEZNQCLSA-N 1 2 348.447 2.186 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H]1CN(C)C(=O)CCc1[nH+]ccn1C ZINC001755917672 1407992661 /nfs/dbraw/zinc/99/26/61/1407992661.db2.gz UGKOMHYVYATTLB-MRXNPFEDSA-N 1 2 346.475 2.158 20 30 EEEDLO C=CCCCC(=O)N(C)C[C@@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC001755921504 1407996009 /nfs/dbraw/zinc/99/60/09/1407996009.db2.gz SNWCMZZDCPNBLF-KRWDZBQOSA-N 1 2 346.475 2.158 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)C1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001755984639 1408054482 /nfs/dbraw/zinc/05/44/82/1408054482.db2.gz YWPOZVPCEHUXSA-UHFFFAOYSA-N 1 2 332.448 2.050 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC001756180426 1408204137 /nfs/dbraw/zinc/20/41/37/1408204137.db2.gz SUZOJUCULQZGCS-AWEZNQCLSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C(C)(C)C ZINC001756719393 1409253467 /nfs/dbraw/zinc/25/34/67/1409253467.db2.gz MMLAYIKAIUPMAN-CQSZACIVSA-N 1 2 334.464 2.202 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H](CNC(=O)CCc1c[nH+]c[nH]1)C(C)(C)C ZINC001756719393 1409253471 /nfs/dbraw/zinc/25/34/71/1409253471.db2.gz MMLAYIKAIUPMAN-CQSZACIVSA-N 1 2 334.464 2.202 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001756723179 1409257696 /nfs/dbraw/zinc/25/76/96/1409257696.db2.gz KQQNDMCQHSJOMU-KBXCAEBGSA-N 1 2 334.464 2.202 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001757415795 1409703324 /nfs/dbraw/zinc/70/33/24/1409703324.db2.gz ZHIQGLXELHHZQH-INMHGKMJSA-N 1 2 346.475 2.298 20 30 EEEDLO CC[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001212182124 790261698 /nfs/dbraw/zinc/26/16/98/790261698.db2.gz ABUZIPFZQMTTKV-KFKAGJAMSA-N 1 2 346.446 2.429 20 30 EEEDLO CC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001212182124 790261702 /nfs/dbraw/zinc/26/17/02/790261702.db2.gz ABUZIPFZQMTTKV-KFKAGJAMSA-N 1 2 346.446 2.429 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)nn(C)c2F)[C@H]1CC ZINC001087813112 782291539 /nfs/dbraw/zinc/29/15/39/782291539.db2.gz WZQAZRIPLXOJJI-NWDGAFQWSA-N 1 2 328.819 2.203 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)nn(C)c2F)[C@H]1CC ZINC001087813112 782291545 /nfs/dbraw/zinc/29/15/45/782291545.db2.gz WZQAZRIPLXOJJI-NWDGAFQWSA-N 1 2 328.819 2.203 20 30 EEEDLO CC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001211879823 782300785 /nfs/dbraw/zinc/30/07/85/782300785.db2.gz DYOLMDOCIQCLFL-ZTFGCOKTSA-N 1 2 332.419 2.039 20 30 EEEDLO CC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001211879823 782300792 /nfs/dbraw/zinc/30/07/92/782300792.db2.gz DYOLMDOCIQCLFL-ZTFGCOKTSA-N 1 2 332.419 2.039 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(OC(C)C)cc3)[C@H]2C1 ZINC001083265720 761296262 /nfs/dbraw/zinc/29/62/62/761296262.db2.gz NJQOHENEJOPIRU-RBUKOAKNSA-N 1 2 342.439 2.022 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(OC(C)C)cc3)[C@H]2C1 ZINC001083265720 761296264 /nfs/dbraw/zinc/29/62/64/761296264.db2.gz NJQOHENEJOPIRU-RBUKOAKNSA-N 1 2 342.439 2.022 20 30 EEEDLO Cc1nc(NC[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C)cc[nH+]1 ZINC001125847084 764658478 /nfs/dbraw/zinc/65/84/78/764658478.db2.gz ZXKRXLDTTLKXLQ-AWEZNQCLSA-N 1 2 326.404 2.241 20 30 EEEDLO NC(=O)c1cccc(CO[NH+]=C(N)c2ccc(Br)cc2)c1 ZINC000782949124 764671065 /nfs/dbraw/zinc/67/10/65/764671065.db2.gz PVNPNOAGRXXFAE-UHFFFAOYSA-N 1 2 348.200 2.385 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001104684468 764736204 /nfs/dbraw/zinc/73/62/04/764736204.db2.gz YIOFDGUVKJQVHE-GJZGRUSLSA-N 1 2 332.448 2.206 20 30 EEEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)[C@H](C)C1 ZINC000942555673 782723616 /nfs/dbraw/zinc/72/36/16/782723616.db2.gz NZUCQDKKBKYBSN-CZUORRHYSA-N 1 2 325.416 2.098 20 30 EEEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)[C@H](C)C1 ZINC000942555673 782723625 /nfs/dbraw/zinc/72/36/25/782723625.db2.gz NZUCQDKKBKYBSN-CZUORRHYSA-N 1 2 325.416 2.098 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cnc(C3CC3)nc2)C1 ZINC001032031195 782728430 /nfs/dbraw/zinc/72/84/30/782728430.db2.gz VGEUCHLGMDRMDX-UHFFFAOYSA-N 1 2 347.422 2.087 20 30 EEEDLO Cc1nsc(N[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C(C)C)c1C#N ZINC001105163642 769216782 /nfs/dbraw/zinc/21/67/82/769216782.db2.gz JPUCZJDDWQRUHM-ZDUSSCGKSA-N 1 2 346.460 2.232 20 30 EEEDLO Cc1ccoc1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031549343 769540117 /nfs/dbraw/zinc/54/01/17/769540117.db2.gz KEAAOYZWKWXGAV-UHFFFAOYSA-N 1 2 327.359 2.461 20 30 EEEDLO Cc1cccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)n1 ZINC001031554665 769581920 /nfs/dbraw/zinc/58/19/20/769581920.db2.gz FPFGABDHUNTDGY-UHFFFAOYSA-N 1 2 326.425 2.185 20 30 EEEDLO C=CCCC1(C(=O)N2CC(n3cc(C[NH2+]C[C@@H](F)CC)nn3)C2)CC1 ZINC001105322394 769710070 /nfs/dbraw/zinc/71/00/70/769710070.db2.gz NWFIYWBQERUKIF-AWEZNQCLSA-N 1 2 349.454 2.246 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC(n2cc(C[NH2+]C[C@@H](F)CC)nn2)C1 ZINC001105335067 769777877 /nfs/dbraw/zinc/77/78/77/769777877.db2.gz SKTGFNHUYDGOSR-ZDUSSCGKSA-N 1 2 337.443 2.101 20 30 EEEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000920996368 770924189 /nfs/dbraw/zinc/92/41/89/770924189.db2.gz DBAMPQSJXOOKFL-PBHICJAKSA-N 1 2 330.432 2.029 20 30 EEEDLO CCc1ccnc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c1 ZINC001031694255 773259528 /nfs/dbraw/zinc/25/95/28/773259528.db2.gz LXAFPNMURISLSR-UHFFFAOYSA-N 1 2 333.435 2.357 20 30 EEEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1)c1ccns1 ZINC001027914976 774336113 /nfs/dbraw/zinc/33/61/13/774336113.db2.gz ZTFMUYBLAMQBQO-INIZCTEOSA-N 1 2 325.437 2.389 20 30 EEEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1)c1ccns1 ZINC001027914976 774336118 /nfs/dbraw/zinc/33/61/18/774336118.db2.gz ZTFMUYBLAMQBQO-INIZCTEOSA-N 1 2 325.437 2.389 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC001032047467 783182829 /nfs/dbraw/zinc/18/28/29/783182829.db2.gz ATPBCGGHSZQGIL-UHFFFAOYSA-N 1 2 346.430 2.430 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@H+]1[C@H](C)c1nnc(C)o1 ZINC001027936240 774656105 /nfs/dbraw/zinc/65/61/05/774656105.db2.gz FNJGWFFDLNGACN-UKRRQHHQSA-N 1 2 343.431 2.321 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)c1nnc(C)o1 ZINC001027936240 774656107 /nfs/dbraw/zinc/65/61/07/774656107.db2.gz FNJGWFFDLNGACN-UKRRQHHQSA-N 1 2 343.431 2.321 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)N(CC)c1[nH+]cnc2c1cnn2C ZINC001089723495 774740313 /nfs/dbraw/zinc/74/03/13/774740313.db2.gz XVWRAOAVHYIVTO-ZIAGYGMSSA-N 1 2 344.463 2.297 20 30 EEEDLO C=C1CCC(C(=O)NC2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC000980551224 774858703 /nfs/dbraw/zinc/85/87/03/774858703.db2.gz KPXBPTHTTJUMAW-UHFFFAOYSA-N 1 2 344.459 2.242 20 30 EEEDLO CCN(c1ccc(C#N)cn1)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089769824 775003273 /nfs/dbraw/zinc/00/32/73/775003273.db2.gz GNWPAWRIVFWZKX-CYBMUJFWSA-N 1 2 348.410 2.474 20 30 EEEDLO CCO[C@@H]1C[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000980750034 775443762 /nfs/dbraw/zinc/44/37/62/775443762.db2.gz ZAPZSFPVSIBAPZ-SJLPKXTDSA-N 1 2 345.418 2.157 20 30 EEEDLO CCO[C@@H]1C[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000980750034 775443767 /nfs/dbraw/zinc/44/37/67/775443767.db2.gz ZAPZSFPVSIBAPZ-SJLPKXTDSA-N 1 2 345.418 2.157 20 30 EEEDLO Cc1nc(C(=O)N2CCC[N@H+](CC#Cc3ccc(F)cc3)CC2)c[nH]1 ZINC000980842283 775788454 /nfs/dbraw/zinc/78/84/54/775788454.db2.gz ATUUCIKRJQHMGD-UHFFFAOYSA-N 1 2 340.402 2.057 20 30 EEEDLO Cc1nc(C(=O)N2CCC[N@@H+](CC#Cc3ccc(F)cc3)CC2)c[nH]1 ZINC000980842283 775788460 /nfs/dbraw/zinc/78/84/60/775788460.db2.gz ATUUCIKRJQHMGD-UHFFFAOYSA-N 1 2 340.402 2.057 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@H]3CCOC3)CC2)cc1F ZINC000980878758 775910789 /nfs/dbraw/zinc/91/07/89/775910789.db2.gz BRJFTOHRENSKJW-MRXNPFEDSA-N 1 2 345.418 2.158 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@H]3CCOC3)CC2)cc1F ZINC000980878758 775910797 /nfs/dbraw/zinc/91/07/97/775910797.db2.gz BRJFTOHRENSKJW-MRXNPFEDSA-N 1 2 345.418 2.158 20 30 EEEDLO O=C([C@@H]1CCCCO1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000980981903 776254200 /nfs/dbraw/zinc/25/42/00/776254200.db2.gz NAUYZRIBJSCIPB-IBGZPJMESA-N 1 2 326.440 2.142 20 30 EEEDLO O=C([C@@H]1CCCCO1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000980981903 776254205 /nfs/dbraw/zinc/25/42/05/776254205.db2.gz NAUYZRIBJSCIPB-IBGZPJMESA-N 1 2 326.440 2.142 20 30 EEEDLO CCc1cc(N2CC=C(CCNC(=O)[C@@H](C)C#N)CC2)nc(C)[nH+]1 ZINC001089814650 776333915 /nfs/dbraw/zinc/33/39/15/776333915.db2.gz HYLNLUVGOOBTBU-ZDUSSCGKSA-N 1 2 327.432 2.150 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1)C1CC1 ZINC000981076215 776484043 /nfs/dbraw/zinc/48/40/43/776484043.db2.gz SUSSNDQLMRKPIE-GOSISDBHSA-N 1 2 345.418 2.157 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1)C1CC1 ZINC000981076215 776484052 /nfs/dbraw/zinc/48/40/52/776484052.db2.gz SUSSNDQLMRKPIE-GOSISDBHSA-N 1 2 345.418 2.157 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1)C1CC1 ZINC000981076633 776485660 /nfs/dbraw/zinc/48/56/60/776485660.db2.gz YLMTUDKQWIVSNR-GOSISDBHSA-N 1 2 345.418 2.157 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1)C1CC1 ZINC000981076633 776485665 /nfs/dbraw/zinc/48/56/65/776485665.db2.gz YLMTUDKQWIVSNR-GOSISDBHSA-N 1 2 345.418 2.157 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(CC)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106915615 777090363 /nfs/dbraw/zinc/09/03/63/777090363.db2.gz NXHWWDXPCWPXMK-OAHLLOKOSA-N 1 2 345.491 2.327 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(CC)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106915615 777090385 /nfs/dbraw/zinc/09/03/85/777090385.db2.gz NXHWWDXPCWPXMK-OAHLLOKOSA-N 1 2 345.491 2.327 20 30 EEEDLO CC(C)n1cnc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)c1 ZINC001031874428 778258295 /nfs/dbraw/zinc/25/82/95/778258295.db2.gz RPDQRWTWNFMAQT-UHFFFAOYSA-N 1 2 343.456 2.259 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[N@@H+]([C@@H](C)c3cnc(C)cn3)CC2)c1 ZINC000981923628 778540774 /nfs/dbraw/zinc/54/07/74/778540774.db2.gz WSYJEERMYAADBH-INIZCTEOSA-N 1 2 349.438 2.070 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[N@H+]([C@@H](C)c3cnc(C)cn3)CC2)c1 ZINC000981923628 778540776 /nfs/dbraw/zinc/54/07/76/778540776.db2.gz WSYJEERMYAADBH-INIZCTEOSA-N 1 2 349.438 2.070 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@@H+](Cc1ncc(C)cn1)C2 ZINC000981936784 778584765 /nfs/dbraw/zinc/58/47/65/778584765.db2.gz AIIIOPGFWRBXQH-UHFFFAOYSA-N 1 2 328.460 2.422 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@H+](Cc1ncc(C)cn1)C2 ZINC000981936784 778584771 /nfs/dbraw/zinc/58/47/71/778584771.db2.gz AIIIOPGFWRBXQH-UHFFFAOYSA-N 1 2 328.460 2.422 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1coc(C)n1 ZINC001028188483 778789459 /nfs/dbraw/zinc/78/94/59/778789459.db2.gz ALBQGGZGIFIDSI-BZSNNMDCSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1coc(C)n1 ZINC001028188483 778789460 /nfs/dbraw/zinc/78/94/60/778789460.db2.gz ALBQGGZGIFIDSI-BZSNNMDCSA-N 1 2 347.459 2.435 20 30 EEEDLO Cc1coc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)c1 ZINC001031913595 779416050 /nfs/dbraw/zinc/41/60/50/779416050.db2.gz LPTRELAIGZESOA-UHFFFAOYSA-N 1 2 327.359 2.461 20 30 EEEDLO Cc1coc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001031914059 779435774 /nfs/dbraw/zinc/43/57/74/779435774.db2.gz YPAKSZSGQAZVSQ-UHFFFAOYSA-N 1 2 326.371 2.440 20 30 EEEDLO Cc1cnoc1C(=O)NC[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001028238650 779515895 /nfs/dbraw/zinc/51/58/95/779515895.db2.gz RRZPLECFUAKEIH-QGZVFWFLSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1cnoc1C(=O)NC[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001028238650 779515902 /nfs/dbraw/zinc/51/59/02/779515902.db2.gz RRZPLECFUAKEIH-QGZVFWFLSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)nc2ccccc12 ZINC001075621136 779651623 /nfs/dbraw/zinc/65/16/23/779651623.db2.gz PMKFOVWXQLJNJA-DHSIGJKJSA-N 1 2 349.438 2.131 20 30 EEEDLO Cc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)nc2ccccc12 ZINC001075621136 779651628 /nfs/dbraw/zinc/65/16/28/779651628.db2.gz PMKFOVWXQLJNJA-DHSIGJKJSA-N 1 2 349.438 2.131 20 30 EEEDLO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@H+]1CC(=C)Cl ZINC001028270271 779839042 /nfs/dbraw/zinc/83/90/42/779839042.db2.gz FNNYNZHQOPZXJE-AWEZNQCLSA-N 1 2 333.819 2.040 20 30 EEEDLO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=C)Cl ZINC001028270271 779839045 /nfs/dbraw/zinc/83/90/45/779839045.db2.gz FNNYNZHQOPZXJE-AWEZNQCLSA-N 1 2 333.819 2.040 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)CC2CCCCC2)[C@@H](O)C1 ZINC001083327107 780280466 /nfs/dbraw/zinc/28/04/66/780280466.db2.gz CSBDFVQLBQQZSJ-MOPGFXCFSA-N 1 2 341.455 2.190 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)CC2CCCCC2)[C@@H](O)C1 ZINC001083327107 780280473 /nfs/dbraw/zinc/28/04/73/780280473.db2.gz CSBDFVQLBQQZSJ-MOPGFXCFSA-N 1 2 341.455 2.190 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)o1 ZINC001075700108 781157828 /nfs/dbraw/zinc/15/78/28/781157828.db2.gz CZCQYFRHZBYKGB-DVOMOZLQSA-N 1 2 339.399 2.090 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+]2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)o1 ZINC001075700108 781157832 /nfs/dbraw/zinc/15/78/32/781157832.db2.gz CZCQYFRHZBYKGB-DVOMOZLQSA-N 1 2 339.399 2.090 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CC=C(Cl)Cl)C[C@H]32)[nH]1 ZINC001075700670 781159211 /nfs/dbraw/zinc/15/92/11/781159211.db2.gz ZCUQBXOEPMUGJN-GXFFZTMASA-N 1 2 339.226 2.352 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC=C(Cl)Cl)C[C@H]32)[nH]1 ZINC001075700670 781159214 /nfs/dbraw/zinc/15/92/14/781159214.db2.gz ZCUQBXOEPMUGJN-GXFFZTMASA-N 1 2 339.226 2.352 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)c2cnns2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001087511843 781614700 /nfs/dbraw/zinc/61/47/00/781614700.db2.gz KXFFIAMUPYLQDH-JKSUJKDBSA-N 1 2 340.452 2.173 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)c2cnns2)CC[N@H+]1CC#Cc1ccccc1 ZINC001087511843 781614706 /nfs/dbraw/zinc/61/47/06/781614706.db2.gz KXFFIAMUPYLQDH-JKSUJKDBSA-N 1 2 340.452 2.173 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC001031998614 781850440 /nfs/dbraw/zinc/85/04/40/781850440.db2.gz KSZOCYUGAYBJMJ-UHFFFAOYSA-N 1 2 346.430 2.335 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC001131894678 783419530 /nfs/dbraw/zinc/41/95/30/783419530.db2.gz BFVSPEYECDTHRS-JKSUJKDBSA-N 1 2 347.459 2.173 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC001131894678 783419540 /nfs/dbraw/zinc/41/95/40/783419540.db2.gz BFVSPEYECDTHRS-JKSUJKDBSA-N 1 2 347.459 2.173 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC001035366943 784380352 /nfs/dbraw/zinc/38/03/52/784380352.db2.gz BLJIAGWQHFVWBS-QRVBRYPASA-N 1 2 344.455 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/nfs/dbraw/zinc/55/46/02/784554602.db2.gz GGKDMHPJFJYFHK-UHFFFAOYSA-N 1 2 332.452 2.004 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C)c(OCC)c2)C1 ZINC001035531151 784685533 /nfs/dbraw/zinc/68/55/33/784685533.db2.gz QFYJOKZMVVKKST-KRWDZBQOSA-N 1 2 332.444 2.400 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C)c(OCC)c2)C1 ZINC001035531151 784685544 /nfs/dbraw/zinc/68/55/44/784685544.db2.gz QFYJOKZMVVKKST-KRWDZBQOSA-N 1 2 332.444 2.400 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC001035564176 784740736 /nfs/dbraw/zinc/74/07/36/784740736.db2.gz OIAQNIDEGMKWAV-QGZVFWFLSA-N 1 2 340.427 2.083 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC001035564176 784740755 /nfs/dbraw/zinc/74/07/55/784740755.db2.gz OIAQNIDEGMKWAV-QGZVFWFLSA-N 1 2 340.427 2.083 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2CCC(C(F)F)CC2)C1 ZINC001035597529 784752629 /nfs/dbraw/zinc/75/26/29/784752629.db2.gz XRHRLGAQYWTCQB-YMAMQOFZSA-N 1 2 330.419 2.451 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C2CCC(C(F)F)CC2)C1 ZINC001035597529 784752634 /nfs/dbraw/zinc/75/26/34/784752634.db2.gz XRHRLGAQYWTCQB-YMAMQOFZSA-N 1 2 330.419 2.451 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]2CNC(=O)C2=COCCC2)ccc1F ZINC001038097293 784844996 /nfs/dbraw/zinc/84/49/96/784844996.db2.gz AWGGQYMSQMHUON-MRXNPFEDSA-N 1 2 329.375 2.082 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@@H]2CNC(=O)C2=COCCC2)ccc1F ZINC001038097293 784845008 /nfs/dbraw/zinc/84/50/08/784845008.db2.gz AWGGQYMSQMHUON-MRXNPFEDSA-N 1 2 329.375 2.082 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]1OC)CC2 ZINC001035737651 785047497 /nfs/dbraw/zinc/04/74/97/785047497.db2.gz LFKDQISPMHXSGZ-LSDHHAIUSA-N 1 2 326.868 2.478 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(OC)nc1)CC2 ZINC001035747969 785103489 /nfs/dbraw/zinc/10/34/89/785103489.db2.gz VLBWTGXHHXGYBO-UHFFFAOYSA-N 1 2 335.835 2.381 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)Oc1cc(F)cc(F)c1 ZINC000804141072 785231177 /nfs/dbraw/zinc/23/11/77/785231177.db2.gz GPVXHJQYAPLITO-INIZCTEOSA-N 1 2 336.382 2.336 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)Oc1cc(F)cc(F)c1 ZINC000804141072 785231182 /nfs/dbraw/zinc/23/11/82/785231182.db2.gz GPVXHJQYAPLITO-INIZCTEOSA-N 1 2 336.382 2.336 20 30 EEEDLO Cc1cc(C)c(C(=O)N2CCN(c3cnccc3C#N)CC2)c(C)[nH+]1 ZINC000908352210 785343810 /nfs/dbraw/zinc/34/38/10/785343810.db2.gz VXDUKFSIPFFSTB-UHFFFAOYSA-N 1 2 335.411 2.236 20 30 EEEDLO CC(C)c1nsc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@]3(C)C2)n1 ZINC001091545981 791105417 /nfs/dbraw/zinc/10/54/17/791105417.db2.gz XMRSCHMLKSKBSD-XNJGSVPQSA-N 1 2 347.488 2.101 20 30 EEEDLO CC(C)c1nsc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@]3(C)C2)n1 ZINC001091545981 791105422 /nfs/dbraw/zinc/10/54/22/791105422.db2.gz XMRSCHMLKSKBSD-XNJGSVPQSA-N 1 2 347.488 2.101 20 30 EEEDLO Cc1cc(NC/C=C\CNC(=O)c2c[nH]c(C#N)c2)nc(C2CC2)[nH+]1 ZINC001107130678 785429539 /nfs/dbraw/zinc/42/95/39/785429539.db2.gz SZGKOHUHLZFCSA-IHWYPQMZSA-N 1 2 336.399 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787087170 /nfs/dbraw/zinc/08/71/70/787087170.db2.gz UOOUAIWTSLOZMQ-GFCCVEGCSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)[nH]1 ZINC001006948349 787087180 /nfs/dbraw/zinc/08/71/80/787087180.db2.gz UOOUAIWTSLOZMQ-GFCCVEGCSA-N 1 2 329.429 2.046 20 30 EEEDLO C=CCCC1(C(=O)NC/C=C/CNc2[nH+]cnc3c2cnn3C)CC1 ZINC001107493932 787411618 /nfs/dbraw/zinc/41/16/18/787411618.db2.gz QJRLTDITAQTCBV-AATRIKPKSA-N 1 2 340.431 2.194 20 30 EEEDLO N#Cc1ccc(NCC=CCNC(=O)c2cc3c[nH+]ccc3[nH]2)cn1 ZINC001107591142 787756070 /nfs/dbraw/zinc/75/60/70/787756070.db2.gz CQGMUKUZWWETKI-UPHRSURJSA-N 1 2 332.367 2.228 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)C1CC(Nc2[nH+]cnc3c2cnn3C)C1 ZINC001127047721 787818137 /nfs/dbraw/zinc/81/81/37/787818137.db2.gz RJCYIIZYXYTELZ-UHFFFAOYSA-N 1 2 342.447 2.367 20 30 EEEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)C2CC2)cc1C#N ZINC001032335104 787871887 /nfs/dbraw/zinc/87/18/87/787871887.db2.gz JRYFDPNMQGFOAQ-BVGQSLNGSA-N 1 2 339.439 2.398 20 30 EEEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)C2CC2)cc1C#N ZINC001032335104 787871895 /nfs/dbraw/zinc/87/18/95/787871895.db2.gz JRYFDPNMQGFOAQ-BVGQSLNGSA-N 1 2 339.439 2.398 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001062316200 787878309 /nfs/dbraw/zinc/87/83/09/787878309.db2.gz QUTRVSYOZQBMOB-HZPDHXFCSA-N 1 2 346.475 2.360 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ncsc2C(C)C)[C@@H](O)C1 ZINC001090719646 787907070 /nfs/dbraw/zinc/90/70/70/787907070.db2.gz QAIHJOMKPZOCFG-NEPJUHHUSA-N 1 2 343.880 2.184 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ncsc2C(C)C)[C@@H](O)C1 ZINC001090719646 787907079 /nfs/dbraw/zinc/90/70/79/787907079.db2.gz QAIHJOMKPZOCFG-NEPJUHHUSA-N 1 2 343.880 2.184 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001062344370 787933951 /nfs/dbraw/zinc/93/39/51/787933951.db2.gz QWJYWELRLNYGMC-CABCVRRESA-N 1 2 344.459 2.293 20 30 EEEDLO C#CCOc1ccc(C[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000824977324 788386278 /nfs/dbraw/zinc/38/62/78/788386278.db2.gz KBZGBSQLGPVJND-SFHVURJKSA-N 1 2 333.453 2.099 20 30 EEEDLO C#CCOc1ccc(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000824977324 788386284 /nfs/dbraw/zinc/38/62/84/788386284.db2.gz KBZGBSQLGPVJND-SFHVURJKSA-N 1 2 333.453 2.099 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3oc(C)nc32)[C@H](O)C1 ZINC001090836782 788500925 /nfs/dbraw/zinc/50/09/25/788500925.db2.gz PYIFQGHSZZWUOZ-UONOGXRCSA-N 1 2 349.818 2.054 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3oc(C)nc32)[C@H](O)C1 ZINC001090836782 788500928 /nfs/dbraw/zinc/50/09/28/788500928.db2.gz PYIFQGHSZZWUOZ-UONOGXRCSA-N 1 2 349.818 2.054 20 30 EEEDLO N#Cc1sccc1C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000913364501 788817343 /nfs/dbraw/zinc/81/73/43/788817343.db2.gz BXCAVLIZSYRMSG-UHFFFAOYSA-N 1 2 326.425 2.015 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060795644 789000742 /nfs/dbraw/zinc/00/07/42/789000742.db2.gz QXRPEJBNOBKSIO-JYJNAYRXSA-N 1 2 346.475 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789303310 /nfs/dbraw/zinc/30/33/10/789303310.db2.gz QADUUUBDLPXXQW-OAHLLOKOSA-N 1 2 328.416 2.442 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCCn3cccc3)CC2)C1 ZINC001105734117 789306757 /nfs/dbraw/zinc/30/67/57/789306757.db2.gz AHLMGDXOTSKLEP-UHFFFAOYSA-N 1 2 331.460 2.146 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccccc3)CC2)nc1 ZINC001144166558 789334319 /nfs/dbraw/zinc/33/43/19/789334319.db2.gz KSLCEELUJFMKII-UHFFFAOYSA-N 1 2 334.423 2.230 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3ccccc3)CC2)nc1 ZINC001144166558 789334329 /nfs/dbraw/zinc/33/43/29/789334329.db2.gz KSLCEELUJFMKII-UHFFFAOYSA-N 1 2 334.423 2.230 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCc2ccc(OC)cc2)C1 ZINC001108180489 789545380 /nfs/dbraw/zinc/54/53/80/789545380.db2.gz HPLPOZLSVCANOY-FQEVSTJZSA-N 1 2 346.471 2.411 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCc2ccc(OC)cc2)C1 ZINC001108180489 789545389 /nfs/dbraw/zinc/54/53/89/789545389.db2.gz HPLPOZLSVCANOY-FQEVSTJZSA-N 1 2 346.471 2.411 20 30 EEEDLO N#Cc1ccc(NC[C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)cn1 ZINC001060287805 789631230 /nfs/dbraw/zinc/63/12/30/789631230.db2.gz LJFFOPIFFQGVQR-KRWDZBQOSA-N 1 2 338.415 2.033 20 30 EEEDLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)Nc1cccc(C#N)c1 ZINC000845279493 789707659 /nfs/dbraw/zinc/70/76/59/789707659.db2.gz NPVBOEAZAYKCBG-QWHCGFSZSA-N 1 2 326.356 2.276 20 30 EEEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C[C@H](C)CCC)CC2 ZINC001127958664 789780848 /nfs/dbraw/zinc/78/08/48/789780848.db2.gz IMDSEOYBLBHIEM-HZPDHXFCSA-N 1 2 345.491 2.038 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC1CCCC1)C2 ZINC001109794992 806001272 /nfs/dbraw/zinc/00/12/72/806001272.db2.gz RPYVFGVGCONTCU-RANZSIQMSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC1CCCC1)C2 ZINC001109794992 806001279 /nfs/dbraw/zinc/00/12/79/806001279.db2.gz RPYVFGVGCONTCU-RANZSIQMSA-N 1 2 347.503 2.227 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106067248 791283957 /nfs/dbraw/zinc/28/39/57/791283957.db2.gz SSJJOBRXNSLVLM-HIFRSBDPSA-N 1 2 332.448 2.154 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001063574798 791316861 /nfs/dbraw/zinc/31/68/61/791316861.db2.gz VXQUILLXZJHXKM-OAHLLOKOSA-N 1 2 325.416 2.489 20 30 EEEDLO CCn1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)n1 ZINC001088898994 791455562 /nfs/dbraw/zinc/45/55/62/791455562.db2.gz GJSKAQVCVXBCQS-PBHICJAKSA-N 1 2 337.427 2.167 20 30 EEEDLO CCn1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)n1 ZINC001088898994 791455563 /nfs/dbraw/zinc/45/55/63/791455563.db2.gz GJSKAQVCVXBCQS-PBHICJAKSA-N 1 2 337.427 2.167 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C(C)(C)CC(C)C)C2)nn1 ZINC001098766953 791705502 /nfs/dbraw/zinc/70/55/02/791705502.db2.gz IQTNTCKEERJPMY-KRWDZBQOSA-N 1 2 345.491 2.237 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@@H](CC)C(C)(C)C)C2)nn1 ZINC001098767320 791721646 /nfs/dbraw/zinc/72/16/46/791721646.db2.gz LCTPJDREKRHTEC-NVXWUHKLSA-N 1 2 345.491 2.237 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(=O)N(C)C)cc2)[C@H]1C ZINC001088987281 791826652 /nfs/dbraw/zinc/82/66/52/791826652.db2.gz SCQASKYAQIDXBE-CJNGLKHVSA-N 1 2 349.862 2.334 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(=O)N(C)C)cc2)[C@H]1C ZINC001088987281 791826655 /nfs/dbraw/zinc/82/66/55/791826655.db2.gz SCQASKYAQIDXBE-CJNGLKHVSA-N 1 2 349.862 2.334 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(Cl)nn(C)c2C)[C@H]1C ZINC001089008917 791884173 /nfs/dbraw/zinc/88/41/73/791884173.db2.gz KJHNENIMWVOOSL-KOLCDFICSA-N 1 2 331.247 2.327 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(Cl)nn(C)c2C)[C@H]1C ZINC001089008917 791884180 /nfs/dbraw/zinc/88/41/80/791884180.db2.gz KJHNENIMWVOOSL-KOLCDFICSA-N 1 2 331.247 2.327 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nnc(C)[nH]1)C2 ZINC001147653022 791902443 /nfs/dbraw/zinc/90/24/43/791902443.db2.gz VKOUIOIPAYEETC-CYBMUJFWSA-N 1 2 331.464 2.311 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nnc(C)[nH]1)C2 ZINC001147653022 791902448 /nfs/dbraw/zinc/90/24/48/791902448.db2.gz VKOUIOIPAYEETC-CYBMUJFWSA-N 1 2 331.464 2.311 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC2(C1)CC[N@H+](Cc1cc(C)on1)C2 ZINC001147993577 792113629 /nfs/dbraw/zinc/11/36/29/792113629.db2.gz WOQWTLVUWSEICU-GOSISDBHSA-N 1 2 347.459 2.246 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC2(C1)CC[N@@H+](Cc1cc(C)on1)C2 ZINC001147993577 792113633 /nfs/dbraw/zinc/11/36/33/792113633.db2.gz WOQWTLVUWSEICU-GOSISDBHSA-N 1 2 347.459 2.246 20 30 EEEDLO Cc1nc(NC[C@@H]2C[C@H](C)CCN2C(=O)CSCC#N)cc[nH+]1 ZINC001091676045 792178581 /nfs/dbraw/zinc/17/85/81/792178581.db2.gz YRGINZDCXAULDJ-OCCSQVGLSA-N 1 2 333.461 2.081 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nccn1CC)C2 ZINC001148138091 792182550 /nfs/dbraw/zinc/18/25/50/792182550.db2.gz NRJHFMIIVYYAID-JKSUJKDBSA-N 1 2 330.476 2.396 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nccn1CC)C2 ZINC001148138091 792182556 /nfs/dbraw/zinc/18/25/56/792182556.db2.gz NRJHFMIIVYYAID-JKSUJKDBSA-N 1 2 330.476 2.396 20 30 EEEDLO C=C1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](Cc2cnon2)CC3)CC1 ZINC000992152952 792937002 /nfs/dbraw/zinc/93/70/02/792937002.db2.gz OIYOCAVBSXSLAJ-SJLPKXTDSA-N 1 2 330.432 2.429 20 30 EEEDLO C=C1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](Cc2cnon2)CC3)CC1 ZINC000992152952 792937013 /nfs/dbraw/zinc/93/70/13/792937013.db2.gz OIYOCAVBSXSLAJ-SJLPKXTDSA-N 1 2 330.432 2.429 20 30 EEEDLO Cc1nnc(C[NH+]2CCC3(C[C@@H](C)N(C(=O)[C@H](C)C#N)C3)CC2)s1 ZINC001086908953 792958546 /nfs/dbraw/zinc/95/85/46/792958546.db2.gz LMXLPOAZOSQCSC-CHWSQXEVSA-N 1 2 347.488 2.209 20 30 EEEDLO Cc1cnc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)o1 ZINC001089162550 792959744 /nfs/dbraw/zinc/95/97/44/792959744.db2.gz XYVOSNMRLQIIDT-INIZCTEOSA-N 1 2 341.415 2.310 20 30 EEEDLO Cc1cnc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)o1 ZINC001089162550 792959750 /nfs/dbraw/zinc/95/97/50/792959750.db2.gz XYVOSNMRLQIIDT-INIZCTEOSA-N 1 2 341.415 2.310 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC1(NC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001064397501 793032119 /nfs/dbraw/zinc/03/21/19/793032119.db2.gz PMCZKXOITHJFQM-KRWDZBQOSA-N 1 2 332.448 2.100 20 30 EEEDLO Cc1ncc(C(=O)N2CCC[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)[nH]1 ZINC000998745528 793336416 /nfs/dbraw/zinc/33/64/16/793336416.db2.gz MDSPNNNAQZCRGB-INIZCTEOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1cc(N2CC[C@@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)nc(C(C)C)[nH+]1 ZINC001064605305 793467065 /nfs/dbraw/zinc/46/70/65/793467065.db2.gz BCAUPJHZTWUYEL-IFXJQAMLSA-N 1 2 341.459 2.497 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1O ZINC001092164959 793620425 /nfs/dbraw/zinc/62/04/25/793620425.db2.gz RIAREBPGEJOXRS-HOTGVXAUSA-N 1 2 346.475 2.060 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1O ZINC001092171950 793636093 /nfs/dbraw/zinc/63/60/93/793636093.db2.gz BEZDVKXIVHHRST-CVEARBPZSA-N 1 2 344.459 2.075 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC1CC(Nc2[nH+]cnc3c2cnn3C)C1 ZINC001092251643 793761514 /nfs/dbraw/zinc/76/15/14/793761514.db2.gz GUZCSJREEHIEJK-UHFFFAOYSA-N 1 2 342.447 2.272 20 30 EEEDLO Cc1nsc(N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)c1C#N ZINC001064793911 793775126 /nfs/dbraw/zinc/77/51/26/793775126.db2.gz ZCBLQWRRZKMQFE-JQWIXIFHSA-N 1 2 344.444 2.080 20 30 EEEDLO C#CCCCC(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001092359860 793833014 /nfs/dbraw/zinc/83/30/14/793833014.db2.gz QQAOIGUKOCNLAP-CXAGYDPISA-N 1 2 328.460 2.394 20 30 EEEDLO CC(C)c1nc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)CC[C@@H]3C2)no1 ZINC000946517933 793855233 /nfs/dbraw/zinc/85/52/33/793855233.db2.gz MRKYPCMWYSWCIW-SOUVJXGZSA-N 1 2 345.447 2.023 20 30 EEEDLO CC(C)c1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)CC[C@@H]3C2)no1 ZINC000946517933 793855245 /nfs/dbraw/zinc/85/52/45/793855245.db2.gz MRKYPCMWYSWCIW-SOUVJXGZSA-N 1 2 345.447 2.023 20 30 EEEDLO Cc1cc(N2C[C@@H](CNC(=O)[C@@H](C)C#N)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC001092336540 793858294 /nfs/dbraw/zinc/85/82/94/793858294.db2.gz NTVMWNSQGOJFHY-GZBFAFLISA-N 1 2 329.448 2.257 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccccc1F)c1nccn12 ZINC001092339190 793862624 /nfs/dbraw/zinc/86/26/24/793862624.db2.gz SPOPHBYVQKKFRA-OAHLLOKOSA-N 1 2 326.375 2.094 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(F)c(F)c1)c1nccn12 ZINC001092375732 793918163 /nfs/dbraw/zinc/91/81/63/793918163.db2.gz VLEWQIGSRYLUOA-HNNXBMFYSA-N 1 2 344.365 2.233 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3c(c1)CCC3)c1nccn12 ZINC001092410412 793959516 /nfs/dbraw/zinc/95/95/16/793959516.db2.gz LBFXVVPAFLQXSK-SFHVURJKSA-N 1 2 348.450 2.444 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC000999249098 794113441 /nfs/dbraw/zinc/11/34/41/794113441.db2.gz GMNUCKLUDIDADX-GFCCVEGCSA-N 1 2 340.855 2.491 20 30 EEEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)C(CC)(CC)CC)CC2 ZINC001128060412 794120890 /nfs/dbraw/zinc/12/08/90/794120890.db2.gz YVNYGKSEASXBJP-HNNXBMFYSA-N 1 2 345.491 2.038 20 30 EEEDLO Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC#Cc2ccccc2)C3)n1 ZINC001110135748 794265974 /nfs/dbraw/zinc/26/59/74/794265974.db2.gz SPTFJNKJDNIDFS-AABGKKOBSA-N 1 2 348.450 2.083 20 30 EEEDLO Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC#Cc2ccccc2)C3)n1 ZINC001110135748 794265977 /nfs/dbraw/zinc/26/59/77/794265977.db2.gz SPTFJNKJDNIDFS-AABGKKOBSA-N 1 2 348.450 2.083 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001092850335 794372093 /nfs/dbraw/zinc/37/20/93/794372093.db2.gz OEUBYUDEJWSACZ-IKGGRYGDSA-N 1 2 344.459 2.220 20 30 EEEDLO C[C@@H](CC(=O)N[C@H](CNc1ccc(C#N)cn1)C1CC1)n1cc[nH+]c1 ZINC001109991291 806342443 /nfs/dbraw/zinc/34/24/43/806342443.db2.gz FUEICIPXGIZUEN-XJKSGUPXSA-N 1 2 338.415 2.108 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1cncs1 ZINC001079463559 794799193 /nfs/dbraw/zinc/79/91/93/794799193.db2.gz HXSQBSGQQKDMFN-IAQYHMDHSA-N 1 2 344.415 2.404 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1cncs1 ZINC001079463559 794799199 /nfs/dbraw/zinc/79/91/99/794799199.db2.gz HXSQBSGQQKDMFN-IAQYHMDHSA-N 1 2 344.415 2.404 20 30 EEEDLO Cc1ncoc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001079534148 794873927 /nfs/dbraw/zinc/87/39/27/794873927.db2.gz MSYOTPCQVKOWKW-CXAGYDPISA-N 1 2 341.386 2.224 20 30 EEEDLO Cc1ncoc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001079534148 794873933 /nfs/dbraw/zinc/87/39/33/794873933.db2.gz MSYOTPCQVKOWKW-CXAGYDPISA-N 1 2 341.386 2.224 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC(N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001079792981 795202040 /nfs/dbraw/zinc/20/20/40/795202040.db2.gz NBLCEZJMDZOIPY-OAHLLOKOSA-N 1 2 346.475 2.496 20 30 EEEDLO CC1(C)CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077531758 795257135 /nfs/dbraw/zinc/25/71/35/795257135.db2.gz DKQDULFXRNADAS-IPMKNSEASA-N 1 2 340.467 2.026 20 30 EEEDLO CC1(C)CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077531758 795257138 /nfs/dbraw/zinc/25/71/38/795257138.db2.gz DKQDULFXRNADAS-IPMKNSEASA-N 1 2 340.467 2.026 20 30 EEEDLO CC(C)=CC[NH+]1CC(OC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC001093524948 795311558 /nfs/dbraw/zinc/31/15/58/795311558.db2.gz TWCBNRXPAUIXHH-UHFFFAOYSA-N 1 2 342.443 2.158 20 30 EEEDLO C=C(C)CCC(=O)N(CC)C1CN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001079881013 795315303 /nfs/dbraw/zinc/31/53/03/795315303.db2.gz MOQOEEDIXOMSRL-UHFFFAOYSA-N 1 2 345.443 2.048 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccnn2C(CC)CC)C1 ZINC001107999140 795359579 /nfs/dbraw/zinc/35/95/79/795359579.db2.gz YGLGWCSJYINCLO-GOSISDBHSA-N 1 2 334.464 2.251 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccnn2C(CC)CC)C1 ZINC001107999140 795359584 /nfs/dbraw/zinc/35/95/84/795359584.db2.gz YGLGWCSJYINCLO-GOSISDBHSA-N 1 2 334.464 2.251 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001077928207 795378548 /nfs/dbraw/zinc/37/85/48/795378548.db2.gz AZXXAFYDGZBUSW-HOTGVXAUSA-N 1 2 334.464 2.277 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ocnc3C(F)F)CC2)C1 ZINC001093574993 795385585 /nfs/dbraw/zinc/38/55/85/795385585.db2.gz LDLCEAXWOMOXFR-UHFFFAOYSA-N 1 2 341.358 2.104 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3nccc4occc43)CC2)C1 ZINC001093556401 795410544 /nfs/dbraw/zinc/41/05/44/795410544.db2.gz VWBVDCLRTLWWLS-UHFFFAOYSA-N 1 2 341.411 2.319 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC(N(CC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001079965989 795414141 /nfs/dbraw/zinc/41/41/41/795414141.db2.gz HQWIXQSMCALCRB-GOSISDBHSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC(N(CC)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001079965989 795414144 /nfs/dbraw/zinc/41/41/44/795414144.db2.gz HQWIXQSMCALCRB-GOSISDBHSA-N 1 2 332.448 2.004 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cc(C)n(C)c3C)CC2)C1 ZINC001093596791 795436819 /nfs/dbraw/zinc/43/68/19/795436819.db2.gz QIQOAGOKDSYHPF-UHFFFAOYSA-N 1 2 331.460 2.133 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCN(C)c3ccccc32)C1 ZINC001108003628 795465677 /nfs/dbraw/zinc/46/56/77/795465677.db2.gz KRGMBRHGZPKDGG-PXNSSMCTSA-N 1 2 343.471 2.003 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCN(C)c3ccccc32)C1 ZINC001108003628 795465682 /nfs/dbraw/zinc/46/56/82/795465682.db2.gz KRGMBRHGZPKDGG-PXNSSMCTSA-N 1 2 343.471 2.003 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC(N(CC)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001080144015 795620218 /nfs/dbraw/zinc/62/02/18/795620218.db2.gz KTPVDMQVVIWXTL-IBGZPJMESA-N 1 2 346.475 2.349 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C2)nc1 ZINC001060944095 795853688 /nfs/dbraw/zinc/85/36/88/795853688.db2.gz BDROIQHGHUPDDD-OAHLLOKOSA-N 1 2 346.394 2.175 20 30 EEEDLO N#Cc1ccc(NC[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C2)cn1 ZINC001060944244 795869924 /nfs/dbraw/zinc/86/99/24/795869924.db2.gz GHOOHJXBIZLGPC-AWEZNQCLSA-N 1 2 346.394 2.175 20 30 EEEDLO Cc1cnc(C[N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)s1 ZINC000993208309 795933830 /nfs/dbraw/zinc/93/38/30/795933830.db2.gz YFFWRUSCLNLDOV-DOMZBBRYSA-N 1 2 343.456 2.434 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)s1 ZINC000993208309 795933834 /nfs/dbraw/zinc/93/38/34/795933834.db2.gz YFFWRUSCLNLDOV-DOMZBBRYSA-N 1 2 343.456 2.434 20 30 EEEDLO C=CCOc1ccc(C(=O)NC[C@@]2(C)C[N@H+](CC#CC)CCO2)cc1 ZINC001108031733 795961971 /nfs/dbraw/zinc/96/19/71/795961971.db2.gz FGWVMCWYZPORRC-FQEVSTJZSA-N 1 2 342.439 2.095 20 30 EEEDLO C=CCOc1ccc(C(=O)NC[C@@]2(C)C[N@@H+](CC#CC)CCO2)cc1 ZINC001108031733 795961975 /nfs/dbraw/zinc/96/19/75/795961975.db2.gz FGWVMCWYZPORRC-FQEVSTJZSA-N 1 2 342.439 2.095 20 30 EEEDLO Cc1csc(C[N@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)n1 ZINC000993212308 795984094 /nfs/dbraw/zinc/98/40/94/795984094.db2.gz YWJOUGNVZOAXAB-OCCSQVGLSA-N 1 2 343.456 2.434 20 30 EEEDLO Cc1csc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)n1 ZINC000993212308 795984100 /nfs/dbraw/zinc/98/41/00/795984100.db2.gz YWJOUGNVZOAXAB-OCCSQVGLSA-N 1 2 343.456 2.434 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CCC(C)=C(C)C3)nn2)C1 ZINC001094293611 796095408 /nfs/dbraw/zinc/09/54/08/796095408.db2.gz WKBVIFSZZSCKLY-HNNXBMFYSA-N 1 2 329.448 2.074 20 30 EEEDLO Cc1cccn2cc(CC(=O)NCCCNc3ccc(C#N)nc3)[nH+]c12 ZINC001094489236 796279935 /nfs/dbraw/zinc/27/99/35/796279935.db2.gz MVZWNDUTZQORPR-UHFFFAOYSA-N 1 2 348.410 2.070 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)on2)C[C@H]1C ZINC001080851472 796435012 /nfs/dbraw/zinc/43/50/12/796435012.db2.gz KZHJBYBFQRHXLN-AUUYWEPGSA-N 1 2 337.423 2.144 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2cc(C)on2)C[C@H]1C ZINC001080851472 796435017 /nfs/dbraw/zinc/43/50/17/796435017.db2.gz KZHJBYBFQRHXLN-AUUYWEPGSA-N 1 2 337.423 2.144 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn3c(cccc3C)n2)C1 ZINC001080913462 796474454 /nfs/dbraw/zinc/47/44/54/796474454.db2.gz LABCTEYIQCPPEX-BXUZGUMPSA-N 1 2 332.835 2.445 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn3c(cccc3C)n2)C1 ZINC001080913462 796474456 /nfs/dbraw/zinc/47/44/56/796474456.db2.gz LABCTEYIQCPPEX-BXUZGUMPSA-N 1 2 332.835 2.445 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001081007786 796533092 /nfs/dbraw/zinc/53/30/92/796533092.db2.gz IKHDSQSVQKVGJP-BXUZGUMPSA-N 1 2 345.834 2.274 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001081007786 796533095 /nfs/dbraw/zinc/53/30/95/796533095.db2.gz IKHDSQSVQKVGJP-BXUZGUMPSA-N 1 2 345.834 2.274 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)C(C)(C)C3CCCC3)CC2=O)C1 ZINC001094745731 796558116 /nfs/dbraw/zinc/55/81/16/796558116.db2.gz KYRHNTDUIHSXCE-INIZCTEOSA-N 1 2 347.503 2.180 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001081047564 796589014 /nfs/dbraw/zinc/58/90/14/796589014.db2.gz IRMIBMPHDYENEK-IFUGULHKSA-N 1 2 338.883 2.329 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001081047564 796589018 /nfs/dbraw/zinc/58/90/18/796589018.db2.gz IRMIBMPHDYENEK-IFUGULHKSA-N 1 2 338.883 2.329 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3cccc(C(C)C)c3)CC2=O)C1 ZINC001094804002 796600397 /nfs/dbraw/zinc/60/03/97/796600397.db2.gz LKGUKGHQRRWEDA-QGZVFWFLSA-N 1 2 341.455 2.011 20 30 EEEDLO CCN(CCNc1snc(C)c1C#N)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001106802402 796637645 /nfs/dbraw/zinc/63/76/45/796637645.db2.gz FGEAAEYADDROFA-UHFFFAOYSA-N 1 2 346.460 2.285 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnc3nccn3c2)[C@@H]1C ZINC000993615477 796843192 /nfs/dbraw/zinc/84/31/92/796843192.db2.gz OXSVNCSNRAIOEA-JSGCOSHPSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnc3nccn3c2)[C@@H]1C ZINC000993615477 796843197 /nfs/dbraw/zinc/84/31/97/796843197.db2.gz OXSVNCSNRAIOEA-JSGCOSHPSA-N 1 2 333.823 2.065 20 30 EEEDLO Cc1nsc(NC2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)c1C#N ZINC001060603298 796865917 /nfs/dbraw/zinc/86/59/17/796865917.db2.gz KIHQSVAYGWNOBP-UHFFFAOYSA-N 1 2 344.444 2.128 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C(C)(C)CC)[C@H](OC)C1 ZINC001081831496 796906620 /nfs/dbraw/zinc/90/66/20/796906620.db2.gz HHWUGLFZELGLRB-QZTJIDSGSA-N 1 2 328.456 2.436 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C(C)(C)CC)[C@H](OC)C1 ZINC001081831496 796906623 /nfs/dbraw/zinc/90/66/23/796906623.db2.gz HHWUGLFZELGLRB-QZTJIDSGSA-N 1 2 328.456 2.436 20 30 EEEDLO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CCC(N)=O)C(=O)OC(C)(C)C ZINC001172301752 796949601 /nfs/dbraw/zinc/94/96/01/796949601.db2.gz WCYHYTWOVWFHAT-CJNGLKHVSA-N 1 2 345.443 2.055 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2n[nH]cc2F)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993746610 796974946 /nfs/dbraw/zinc/97/49/46/796974946.db2.gz VOCUTOIDGPYBCL-RHSMWYFYSA-N 1 2 340.402 2.183 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2n[nH]cc2F)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993746610 796974949 /nfs/dbraw/zinc/97/49/49/796974949.db2.gz VOCUTOIDGPYBCL-RHSMWYFYSA-N 1 2 340.402 2.183 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3ccnc(OC)n3)[C@@H]2C)C1 ZINC000993794180 796999178 /nfs/dbraw/zinc/99/91/78/796999178.db2.gz VSZJDIUOEIPIMG-ZBFHGGJFSA-N 1 2 344.459 2.311 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3ccnc(OC)n3)[C@@H]2C)C1 ZINC000993794180 796999186 /nfs/dbraw/zinc/99/91/86/796999186.db2.gz VSZJDIUOEIPIMG-ZBFHGGJFSA-N 1 2 344.459 2.311 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001082251114 797369916 /nfs/dbraw/zinc/36/99/16/797369916.db2.gz BLDPTSIGVDPKBM-KSSFIOAISA-N 1 2 332.448 2.052 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C(C)(C)C ZINC001082338838 797461511 /nfs/dbraw/zinc/46/15/11/797461511.db2.gz HOLHFYZEYGXVSX-HZPDHXFCSA-N 1 2 333.407 2.059 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C(C)(C)C ZINC001082338838 797461514 /nfs/dbraw/zinc/46/15/14/797461514.db2.gz HOLHFYZEYGXVSX-HZPDHXFCSA-N 1 2 333.407 2.059 20 30 EEEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1ccon1 ZINC001095210268 797520830 /nfs/dbraw/zinc/52/08/30/797520830.db2.gz COTPYCPUGPNXPD-NJAFHUGGSA-N 1 2 339.370 2.201 20 30 EEEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1ccon1 ZINC001095210268 797520834 /nfs/dbraw/zinc/52/08/34/797520834.db2.gz COTPYCPUGPNXPD-NJAFHUGGSA-N 1 2 339.370 2.201 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095296467 797739499 /nfs/dbraw/zinc/73/94/99/797739499.db2.gz ZTRJMMKGGVAYGX-HNAYVOBHSA-N 1 2 344.459 2.392 20 30 EEEDLO CC(C)C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001083003996 797804997 /nfs/dbraw/zinc/80/49/97/797804997.db2.gz DRWQBYYVIUBPEF-ZWKOTPCHSA-N 1 2 346.858 2.259 20 30 EEEDLO CC(C)C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001083003996 797805003 /nfs/dbraw/zinc/80/50/03/797805003.db2.gz DRWQBYYVIUBPEF-ZWKOTPCHSA-N 1 2 346.858 2.259 20 30 EEEDLO COC(=O)c1cc(C#N)ccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174977660 797936981 /nfs/dbraw/zinc/93/69/81/797936981.db2.gz MHUXPOXECVWURV-UHFFFAOYSA-N 1 2 338.367 2.320 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nc3c2CCCCC3)[C@@H]1C ZINC000994424153 797977353 /nfs/dbraw/zinc/97/73/53/797977353.db2.gz PZERXDAVTRBHBH-GOEBONIOSA-N 1 2 328.460 2.285 20 30 EEEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2[nH]nc3c2CCCCC3)[C@@H]1C ZINC000994424153 797977363 /nfs/dbraw/zinc/97/73/63/797977363.db2.gz PZERXDAVTRBHBH-GOEBONIOSA-N 1 2 328.460 2.285 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccns3)C[C@H]21 ZINC001084354167 798163232 /nfs/dbraw/zinc/16/32/32/798163232.db2.gz TUQAFOGGBCJAGS-DZUCGIPZSA-N 1 2 347.484 2.157 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccns3)C[C@H]21 ZINC001084354167 798163235 /nfs/dbraw/zinc/16/32/35/798163235.db2.gz TUQAFOGGBCJAGS-DZUCGIPZSA-N 1 2 347.484 2.157 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH]c(=O)[nH]c43)[C@@H]2C1 ZINC001084416526 798183598 /nfs/dbraw/zinc/18/35/98/798183598.db2.gz JNPGXCPEICOEJM-BXUZGUMPSA-N 1 2 346.818 2.167 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH]c(=O)[nH]c43)[C@@H]2C1 ZINC001084416526 798183600 /nfs/dbraw/zinc/18/36/00/798183600.db2.gz JNPGXCPEICOEJM-BXUZGUMPSA-N 1 2 346.818 2.167 20 30 EEEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)C[C@H]2CCOC2)CC1 ZINC001002511350 798189493 /nfs/dbraw/zinc/18/94/93/798189493.db2.gz NRYISHOPAMMZCS-CQSZACIVSA-N 1 2 345.418 2.205 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@@H](Nc2ccc(C#N)nc2)C1 ZINC001061098706 798206708 /nfs/dbraw/zinc/20/67/08/798206708.db2.gz QGKITEGBNYZYCY-KGLIPLIRSA-N 1 2 338.415 2.067 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cnc(C)nc4)C[C@H]32)cc1 ZINC001084568063 798279359 /nfs/dbraw/zinc/27/93/59/798279359.db2.gz WUYSOINWWUCLSY-WOJBJXKFSA-N 1 2 346.434 2.113 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4cnc(C)nc4)C[C@H]32)cc1 ZINC001084568063 798279361 /nfs/dbraw/zinc/27/93/61/798279361.db2.gz WUYSOINWWUCLSY-WOJBJXKFSA-N 1 2 346.434 2.113 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC(OCC)C3)[C@@H]2C1 ZINC001084600254 798300718 /nfs/dbraw/zinc/30/07/18/798300718.db2.gz RPFYCANDOBZWSA-GYTBAZASSA-N 1 2 326.868 2.477 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC(OCC)C3)[C@@H]2C1 ZINC001084600254 798300724 /nfs/dbraw/zinc/30/07/24/798300724.db2.gz RPFYCANDOBZWSA-GYTBAZASSA-N 1 2 326.868 2.477 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NCC[NH2+]Cc1nc(CC(C)C)no1 ZINC001128208826 798341781 /nfs/dbraw/zinc/34/17/81/798341781.db2.gz JVZZUWQXHRPLQP-UHFFFAOYSA-N 1 2 328.844 2.253 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(CC)c[nH]c3=O)[C@@H]2C1 ZINC001084748795 798425255 /nfs/dbraw/zinc/42/52/55/798425255.db2.gz IFDBNSDJDBBPIO-UKRRQHHQSA-N 1 2 335.835 2.248 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(CC)c[nH]c3=O)[C@@H]2C1 ZINC001084748795 798425258 /nfs/dbraw/zinc/42/52/58/798425258.db2.gz IFDBNSDJDBBPIO-UKRRQHHQSA-N 1 2 335.835 2.248 20 30 EEEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)COCCC)c2C1 ZINC001128241000 798478328 /nfs/dbraw/zinc/47/83/28/798478328.db2.gz WHDWSIARRUEMJV-UHFFFAOYSA-N 1 2 348.491 2.488 20 30 EEEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)COCCC)c2C1 ZINC001128241000 798478333 /nfs/dbraw/zinc/47/83/33/798478333.db2.gz WHDWSIARRUEMJV-UHFFFAOYSA-N 1 2 348.491 2.488 20 30 EEEDLO O=C(NC1CC[NH+](CC#Cc2ccccc2Cl)CC1)c1ncc[nH]1 ZINC001002764632 798583056 /nfs/dbraw/zinc/58/30/56/798583056.db2.gz GTIDBLAWLKWTIS-UHFFFAOYSA-N 1 2 342.830 2.309 20 30 EEEDLO C[C@H](C#N)C(=O)NCc1cnn2c1C[N@H+](CCCC1CCCC1)CC2 ZINC001128263548 798584236 /nfs/dbraw/zinc/58/42/36/798584236.db2.gz CNEKHMNMQLQLEZ-OAHLLOKOSA-N 1 2 343.475 2.445 20 30 EEEDLO C[C@H](C#N)C(=O)NCc1cnn2c1C[N@@H+](CCCC1CCCC1)CC2 ZINC001128263548 798584239 /nfs/dbraw/zinc/58/42/39/798584239.db2.gz CNEKHMNMQLQLEZ-OAHLLOKOSA-N 1 2 343.475 2.445 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C4CC4)CCC3)C[C@@H]21 ZINC001177054999 798717443 /nfs/dbraw/zinc/71/74/43/798717443.db2.gz GFXSCHFHCJYIRD-ZWKOTPCHSA-N 1 2 348.487 2.071 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C4CC4)CCC3)C[C@@H]21 ZINC001177054999 798717448 /nfs/dbraw/zinc/71/74/48/798717448.db2.gz GFXSCHFHCJYIRD-ZWKOTPCHSA-N 1 2 348.487 2.071 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C4CC4)CCC3)C[C@H]21 ZINC001177054997 798717492 /nfs/dbraw/zinc/71/74/92/798717492.db2.gz GFXSCHFHCJYIRD-QZTJIDSGSA-N 1 2 348.487 2.071 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C4CC4)CCC3)C[C@H]21 ZINC001177054997 798717498 /nfs/dbraw/zinc/71/74/98/798717498.db2.gz GFXSCHFHCJYIRD-QZTJIDSGSA-N 1 2 348.487 2.071 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)C3(CCC)CC3)C[C@H]21 ZINC001177095741 798747320 /nfs/dbraw/zinc/74/73/20/798747320.db2.gz SFIURTNREXINCV-SJORKVTESA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3(CCC)CC3)C[C@H]21 ZINC001177095741 798747326 /nfs/dbraw/zinc/74/73/26/798747326.db2.gz SFIURTNREXINCV-SJORKVTESA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)CC=C)C[C@@H]21 ZINC001177106796 798753351 /nfs/dbraw/zinc/75/33/51/798753351.db2.gz HTJWYDQLMZQBTO-DLBZAZTESA-N 1 2 336.476 2.093 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)CC=C)C[C@@H]21 ZINC001177106796 798753355 /nfs/dbraw/zinc/75/33/55/798753355.db2.gz HTJWYDQLMZQBTO-DLBZAZTESA-N 1 2 336.476 2.093 20 30 EEEDLO C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)[C@@H](C)C(C)C)C1 ZINC001177551947 799024862 /nfs/dbraw/zinc/02/48/62/799024862.db2.gz VNVGSNVIZWMZNA-SFHVURJKSA-N 1 2 342.483 2.377 20 30 EEEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)C#Cc1ccccn1 ZINC001177801131 799129316 /nfs/dbraw/zinc/12/93/16/799129316.db2.gz RCEKZGQUZYKTIP-UHFFFAOYSA-N 1 2 347.378 2.224 20 30 EEEDLO C=C1CCC(C(=O)N(C)C[C@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001003064228 799142959 /nfs/dbraw/zinc/14/29/59/799142959.db2.gz LPDKUCKKMGQRAO-QGZVFWFLSA-N 1 2 344.459 2.148 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H](N(C)c2[nH+]cnc3c2cnn3C)C1 ZINC001061243280 799164770 /nfs/dbraw/zinc/16/47/70/799164770.db2.gz BFHMLVHUEJBVIL-ZDUSSCGKSA-N 1 2 342.447 2.003 20 30 EEEDLO NC(=NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc2cc(O)ccc2c1 ZINC001178119366 799279594 /nfs/dbraw/zinc/27/95/94/799279594.db2.gz PISDOWNVMMRNFG-OAHLLOKOSA-N 1 2 334.379 2.236 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CCC3CC3)CC2)C1 ZINC001065703450 799348666 /nfs/dbraw/zinc/34/86/66/799348666.db2.gz CKIGWQGLGAUIAH-GOSISDBHSA-N 1 2 347.503 2.278 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)/C(C)=C\CC)CC2)C1 ZINC001065704213 799350095 /nfs/dbraw/zinc/35/00/95/799350095.db2.gz KKQOKMGCVWJSRJ-HELGNCAXSA-N 1 2 347.503 2.444 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC3(C)CC3)C2)CC1 ZINC001065706521 799355884 /nfs/dbraw/zinc/35/58/84/799355884.db2.gz KXUBSOBDIDAWNE-QGZVFWFLSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)C=C(CC)CC)C2)CC1 ZINC001065700489 799389504 /nfs/dbraw/zinc/38/95/04/799389504.db2.gz SWWDZFQENYQGIA-SFHVURJKSA-N 1 2 347.503 2.444 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C3(C)CCCC3)C2)CC1 ZINC001065708739 799402503 /nfs/dbraw/zinc/40/25/03/799402503.db2.gz ISYVJETUBNSPPR-QGZVFWFLSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC3(C)C)C2)CC1 ZINC001065711897 799410252 /nfs/dbraw/zinc/41/02/52/799410252.db2.gz RAAWQPDUKZGMGV-DLBZAZTESA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC(C)C)CC2)C1 ZINC001065712458 799411185 /nfs/dbraw/zinc/41/11/85/799411185.db2.gz YHIPXWFSCVSTRH-QGZVFWFLSA-N 1 2 335.492 2.134 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC3(C)CC3)CC2)C1 ZINC001065712859 799412112 /nfs/dbraw/zinc/41/21/12/799412112.db2.gz GUIKBDOFTJHVNA-KRWDZBQOSA-N 1 2 347.503 2.278 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C(C)(C)C)C2)CC1 ZINC001065713509 799414693 /nfs/dbraw/zinc/41/46/93/799414693.db2.gz UZWGEBJDKQTQGW-DLBZAZTESA-N 1 2 349.519 2.380 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([C@H](C)Nc3cc[nH+]c(C)n3)C2)nc1 ZINC001065726716 799437923 /nfs/dbraw/zinc/43/79/23/799437923.db2.gz RRCWMQNHDVEQGF-BBRMVZONSA-N 1 2 335.411 2.124 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2ncoc2[C@H]2CCCO2)CC1 ZINC001003431048 799654698 /nfs/dbraw/zinc/65/46/98/799654698.db2.gz BYRVPHNCWHCLQQ-CYBMUJFWSA-N 1 2 339.823 2.473 20 30 EEEDLO C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001179586017 799992935 /nfs/dbraw/zinc/99/29/35/799992935.db2.gz NRUSFIICSMDPLI-AWEZNQCLSA-N 1 2 346.431 2.032 20 30 EEEDLO C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001179586017 799992938 /nfs/dbraw/zinc/99/29/38/799992938.db2.gz NRUSFIICSMDPLI-AWEZNQCLSA-N 1 2 346.431 2.032 20 30 EEEDLO CCc1cc(N2CC[C@@H]3[C@H]2CCCN3C(=O)[C@H](C)C#N)nc(C)[nH+]1 ZINC001066123722 800043427 /nfs/dbraw/zinc/04/34/27/800043427.db2.gz SLPVEFZVSPUUOP-DAXOMENPSA-N 1 2 327.432 2.077 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001066225439 800211939 /nfs/dbraw/zinc/21/19/39/800211939.db2.gz DISVLHQLCVONDP-INIZCTEOSA-N 1 2 346.475 2.206 20 30 EEEDLO Cc1nc(N2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)c(C)c(C)[nH+]1 ZINC001061329639 800243838 /nfs/dbraw/zinc/24/38/38/800243838.db2.gz GPUDUVSERZQBNW-HNNXBMFYSA-N 1 2 338.415 2.000 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001066260130 800537391 /nfs/dbraw/zinc/53/73/91/800537391.db2.gz FLAVRLYANQNXDK-HNNXBMFYSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001066260130 800537396 /nfs/dbraw/zinc/53/73/96/800537396.db2.gz FLAVRLYANQNXDK-HNNXBMFYSA-N 1 2 346.475 2.442 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)C1=COCCC1 ZINC001085509536 800664304 /nfs/dbraw/zinc/66/43/04/800664304.db2.gz AAUZRWFFVFDOBN-KRWDZBQOSA-N 1 2 343.402 2.424 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)C1=COCCC1 ZINC001085509536 800664307 /nfs/dbraw/zinc/66/43/07/800664307.db2.gz AAUZRWFFVFDOBN-KRWDZBQOSA-N 1 2 343.402 2.424 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@H]1CCCOC1 ZINC001085514690 800681213 /nfs/dbraw/zinc/68/12/13/800681213.db2.gz NOMZEBQBUZCZNL-DLBZAZTESA-N 1 2 345.418 2.157 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@H]1CCCOC1 ZINC001085514690 800681217 /nfs/dbraw/zinc/68/12/17/800681217.db2.gz NOMZEBQBUZCZNL-DLBZAZTESA-N 1 2 345.418 2.157 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C(C)C)o2)C1 ZINC001181468536 800798934 /nfs/dbraw/zinc/79/89/34/800798934.db2.gz AGSBOFZNJGGOFD-HUUCEWRRSA-N 1 2 335.448 2.470 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001085572952 800804719 /nfs/dbraw/zinc/80/47/19/800804719.db2.gz JIZPPGOBWNGWNQ-IKGGRYGDSA-N 1 2 332.394 2.472 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001085572952 800804725 /nfs/dbraw/zinc/80/47/25/800804725.db2.gz JIZPPGOBWNGWNQ-IKGGRYGDSA-N 1 2 332.394 2.472 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC1CC[NH+](Cc2nocc2C)CC1 ZINC001004055926 800891720 /nfs/dbraw/zinc/89/17/20/800891720.db2.gz LCEYGMKESRXBMX-UHFFFAOYSA-N 1 2 337.423 2.288 20 30 EEEDLO Cc1nc(NCCCC[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001090070097 801071969 /nfs/dbraw/zinc/07/19/69/801071969.db2.gz DDUHWEVQTAACKJ-GFCCVEGCSA-N 1 2 326.404 2.386 20 30 EEEDLO CCc1ncoc1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001085809171 801327948 /nfs/dbraw/zinc/32/79/48/801327948.db2.gz WTBSNRIQGVMABD-MRXNPFEDSA-N 1 2 338.411 2.455 20 30 EEEDLO CCc1ncoc1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001085809171 801327955 /nfs/dbraw/zinc/32/79/55/801327955.db2.gz WTBSNRIQGVMABD-MRXNPFEDSA-N 1 2 338.411 2.455 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001182893043 801390005 /nfs/dbraw/zinc/39/00/05/801390005.db2.gz CZHBKASLLNYXNT-CQSZACIVSA-N 1 2 332.448 2.315 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(F)(F)F)ccn1 ZINC001085907216 801605532 /nfs/dbraw/zinc/60/55/32/801605532.db2.gz IWHDPNSLVCTULF-ZDUSSCGKSA-N 1 2 325.334 2.270 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(F)(F)F)ccn1 ZINC001085907216 801605539 /nfs/dbraw/zinc/60/55/39/801605539.db2.gz IWHDPNSLVCTULF-ZDUSSCGKSA-N 1 2 325.334 2.270 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2scnc2C)nc1 ZINC001085929957 801672636 /nfs/dbraw/zinc/67/26/36/801672636.db2.gz KHNAUJMISFHAOZ-OAHLLOKOSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2scnc2C)nc1 ZINC001085929957 801672640 /nfs/dbraw/zinc/67/26/40/801672640.db2.gz KHNAUJMISFHAOZ-OAHLLOKOSA-N 1 2 340.452 2.174 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001066347820 801745739 /nfs/dbraw/zinc/74/57/39/801745739.db2.gz ILXCOXYYCBCOSS-DLBZAZTESA-N 1 2 346.475 2.373 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C)cc2Cl)C1 ZINC001108232943 801901477 /nfs/dbraw/zinc/90/14/77/801901477.db2.gz GAMJMVBTEGGWBU-SFHVURJKSA-N 1 2 334.847 2.492 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C)cc2Cl)C1 ZINC001108232943 801901482 /nfs/dbraw/zinc/90/14/82/801901482.db2.gz GAMJMVBTEGGWBU-SFHVURJKSA-N 1 2 334.847 2.492 20 30 EEEDLO Cc1nc[nH]c1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001086002697 801903774 /nfs/dbraw/zinc/90/37/74/801903774.db2.gz PCBUXLCUYNBFEK-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1nc[nH]c1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001086002697 801903777 /nfs/dbraw/zinc/90/37/77/801903777.db2.gz PCBUXLCUYNBFEK-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(C)n(C(F)F)n2)C1 ZINC001033116037 802002183 /nfs/dbraw/zinc/00/21/83/802002183.db2.gz DIPXUWRABOHMNO-NSHDSACASA-N 1 2 332.782 2.485 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)n(C(F)F)n2)C1 ZINC001033116037 802002188 /nfs/dbraw/zinc/00/21/88/802002188.db2.gz DIPXUWRABOHMNO-NSHDSACASA-N 1 2 332.782 2.485 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCc3cn[nH]c32)CC1 ZINC001004440235 802049802 /nfs/dbraw/zinc/04/98/02/802049802.db2.gz YJQWMLBLDMVCGQ-IRXDYDNUSA-N 1 2 341.459 2.056 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCc3cn[nH]c32)CC1 ZINC001004440235 802049807 /nfs/dbraw/zinc/04/98/07/802049807.db2.gz YJQWMLBLDMVCGQ-IRXDYDNUSA-N 1 2 341.459 2.056 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cncc3[nH]ccc32)CC1 ZINC001004477272 802178688 /nfs/dbraw/zinc/17/86/88/802178688.db2.gz PHQDDRFGVCTUKX-SFHVURJKSA-N 1 2 337.427 2.403 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cncc3[nH]ccc32)CC1 ZINC001004477272 802178695 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COCCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CCC1 ZINC001436743585 1088226785 /nfs/dbraw/zinc/22/67/85/1088226785.db2.gz IERYHWJMWMPELW-GOSISDBHSA-N 1 2 341.455 2.456 20 30 EEEDLO Cc1oc(-c2ccccc2)nc1C[N@@H+](C)CCNC(=O)[C@H](C)C#N ZINC001437453620 1089761490 /nfs/dbraw/zinc/76/14/90/1089761490.db2.gz TWTCXNWOMHNLKI-CYBMUJFWSA-N 1 2 326.400 2.358 20 30 EEEDLO Cc1oc(-c2ccccc2)nc1C[N@H+](C)CCNC(=O)[C@H](C)C#N ZINC001437453620 1089761501 /nfs/dbraw/zinc/76/15/01/1089761501.db2.gz TWTCXNWOMHNLKI-CYBMUJFWSA-N 1 2 326.400 2.358 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccnc(-n2cccn2)c1)C1CC1 ZINC001437808110 1090398779 /nfs/dbraw/zinc/39/87/79/1090398779.db2.gz OPNLWMZDNLDSOI-UHFFFAOYSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccnc(-n2cccn2)c1)C1CC1 ZINC001437808110 1090398785 /nfs/dbraw/zinc/39/87/85/1090398785.db2.gz OPNLWMZDNLDSOI-UHFFFAOYSA-N 1 2 345.834 2.214 20 30 EEEDLO CC(C)OCCC(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001438847268 1091485810 /nfs/dbraw/zinc/48/58/10/1091485810.db2.gz UTTPJFLHCCNQLX-UHFFFAOYSA-N 1 2 335.423 2.403 20 30 EEEDLO CC(C)OCCC(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001438847268 1091485813 /nfs/dbraw/zinc/48/58/13/1091485813.db2.gz UTTPJFLHCCNQLX-UHFFFAOYSA-N 1 2 335.423 2.403 20 30 EEEDLO CCc1nc(C(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)co1 ZINC001438862426 1091496147 /nfs/dbraw/zinc/49/61/47/1091496147.db2.gz BQOFRCDJBIKSQK-UHFFFAOYSA-N 1 2 326.400 2.313 20 30 EEEDLO CCc1nc(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)co1 ZINC001438862426 1091496150 /nfs/dbraw/zinc/49/61/50/1091496150.db2.gz BQOFRCDJBIKSQK-UHFFFAOYSA-N 1 2 326.400 2.313 20 30 EEEDLO C=C(Br)CN(C)CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001438923399 1091591714 /nfs/dbraw/zinc/59/17/14/1091591714.db2.gz ZQZCISCDTHBLAN-ZDUSSCGKSA-N 1 2 343.269 2.133 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@](C)(CNC(=O)c2ccn[nH]2)C1 ZINC001439936494 1093029229 /nfs/dbraw/zinc/02/92/29/1093029229.db2.gz MSGQKCVYCXLUMV-CQSZACIVSA-N 1 2 341.253 2.150 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@](C)(CNC(=O)c2ccn[nH]2)C1 ZINC001439936494 1093029242 /nfs/dbraw/zinc/02/92/42/1093029242.db2.gz MSGQKCVYCXLUMV-CQSZACIVSA-N 1 2 341.253 2.150 20 30 EEEDLO CC(C)c1noc([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)c2cc(C#N)c[nH]2)n1 ZINC001448634247 1093695590 /nfs/dbraw/zinc/69/55/90/1093695590.db2.gz LTZDRHVZZSHOFM-VXGBXAGGSA-N 1 2 344.419 2.204 20 30 EEEDLO C[N@H+](CCNC(=O)C[C@@H]1CCCOC1)Cc1cc(C#N)ccc1F ZINC001442603379 1096973635 /nfs/dbraw/zinc/97/36/35/1096973635.db2.gz LTHKPVYCPKOTQL-HNNXBMFYSA-N 1 2 333.407 2.062 20 30 EEEDLO C[N@@H+](CCNC(=O)C[C@@H]1CCCOC1)Cc1cc(C#N)ccc1F ZINC001442603379 1096973640 /nfs/dbraw/zinc/97/36/40/1096973640.db2.gz LTHKPVYCPKOTQL-HNNXBMFYSA-N 1 2 333.407 2.062 20 30 EEEDLO C[C@H](C#N)C(=O)NCCC1CC[NH+](Cc2nccn2C(F)F)CC1 ZINC001495506019 1101217944 /nfs/dbraw/zinc/21/79/44/1101217944.db2.gz VRILYTFNLPOBPS-GFCCVEGCSA-N 1 2 339.390 2.156 20 30 EEEDLO C=C(Cl)C[NH2+]C[C@H](NC(=O)c1cn[nH]c1-c1ccccn1)C1CC1 ZINC001498771032 1108067263 /nfs/dbraw/zinc/06/72/63/1108067263.db2.gz USALQOHOBRUUCM-HNNXBMFYSA-N 1 2 345.834 2.322 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1ccc(NC(C)=O)cc1 ZINC001505957149 1114299762 /nfs/dbraw/zinc/29/97/62/1114299762.db2.gz NKRXVFWEQORPTK-CYBMUJFWSA-N 1 2 337.851 2.377 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1ccc(NC(C)=O)cc1 ZINC001505957149 1114299764 /nfs/dbraw/zinc/29/97/64/1114299764.db2.gz NKRXVFWEQORPTK-CYBMUJFWSA-N 1 2 337.851 2.377 20 30 EEEDLO C=C(Cl)Cn1c(N(C)CC[NH+]2CCOCC2)nnc1C(C)(C)C ZINC001507873945 1115364589 /nfs/dbraw/zinc/36/45/89/1115364589.db2.gz GOKRCHOBRPBXSE-UHFFFAOYSA-N 1 2 341.887 2.097 20 30 EEEDLO C#CCCN(CCOC)c1nnc([C@H]2CCCC[N@@H+]2C)n1CC(=C)C ZINC001515995394 1118992533 /nfs/dbraw/zinc/99/25/33/1118992533.db2.gz ABZAPXLMPPWHTQ-QGZVFWFLSA-N 1 2 345.491 2.487 20 30 EEEDLO C#CCCN(CCOC)c1nnc([C@H]2CCCC[N@H+]2C)n1CC(=C)C ZINC001515995394 1118992539 /nfs/dbraw/zinc/99/25/39/1118992539.db2.gz ABZAPXLMPPWHTQ-QGZVFWFLSA-N 1 2 345.491 2.487 20 30 EEEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1CCCOCC ZINC001516322864 1119001514 /nfs/dbraw/zinc/00/15/14/1119001514.db2.gz RIRUSTJNNBEIJX-HZPDHXFCSA-N 1 2 333.480 2.319 20 30 EEEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2CCCC[N@H+]2C)n1CCCOCC ZINC001516322864 1119001519 /nfs/dbraw/zinc/00/15/19/1119001519.db2.gz RIRUSTJNNBEIJX-HZPDHXFCSA-N 1 2 333.480 2.319 20 30 EEEDLO COc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001524036952 1119966698 /nfs/dbraw/zinc/96/66/98/1119966698.db2.gz GIZQBBYCNGFGOW-UKRRQHHQSA-N 1 2 329.400 2.215 20 30 EEEDLO COc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001524036952 1119966702 /nfs/dbraw/zinc/96/67/02/1119966702.db2.gz GIZQBBYCNGFGOW-UKRRQHHQSA-N 1 2 329.400 2.215 20 30 EEEDLO CN1CC[C@H](O[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)C1=O ZINC000116267651 529807250 /nfs/dbraw/zinc/80/72/50/529807250.db2.gz YYCDHARJZYHSLE-KRWDZBQOSA-N 1 2 339.395 2.133 20 30 EEEDLO CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000187202213 529983877 /nfs/dbraw/zinc/98/38/77/529983877.db2.gz CGVBOJHUPLOIFT-GOSISDBHSA-N 1 2 327.428 2.018 20 30 EEEDLO CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000187202213 529983878 /nfs/dbraw/zinc/98/38/78/529983878.db2.gz CGVBOJHUPLOIFT-GOSISDBHSA-N 1 2 327.428 2.018 20 30 EEEDLO Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1S(C)(=O)=O ZINC000330210079 539789601 /nfs/dbraw/zinc/78/96/01/539789601.db2.gz CCNDADIOTZICFP-HNNXBMFYSA-N 1 2 336.457 2.482 20 30 EEEDLO Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1S(C)(=O)=O ZINC000330210079 539789604 /nfs/dbraw/zinc/78/96/04/539789604.db2.gz CCNDADIOTZICFP-HNNXBMFYSA-N 1 2 336.457 2.482 20 30 EEEDLO Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1S(C)(=O)=O ZINC000330210083 539789620 /nfs/dbraw/zinc/78/96/20/539789620.db2.gz CCNDADIOTZICFP-OAHLLOKOSA-N 1 2 336.457 2.482 20 30 EEEDLO Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1S(C)(=O)=O ZINC000330210083 539789621 /nfs/dbraw/zinc/78/96/21/539789621.db2.gz CCNDADIOTZICFP-OAHLLOKOSA-N 1 2 336.457 2.482 20 30 EEEDLO C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000329931108 539785834 /nfs/dbraw/zinc/78/58/34/539785834.db2.gz IDCVIZQNNUSAOX-ZQDZILKHSA-N 1 2 338.427 2.104 20 30 EEEDLO COCCN(C)c1ccc(/C=C/C(=O)c2c(C)nn(C)c2C)c[nH+]1 ZINC000191279457 237251470 /nfs/dbraw/zinc/25/14/70/237251470.db2.gz PZWWZSYFZFAJBQ-SOFGYWHQSA-N 1 2 328.416 2.411 20 30 EEEDLO C=CCC[C@@H](C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)c1ccccc1 ZINC000189312851 201047262 /nfs/dbraw/zinc/04/72/62/201047262.db2.gz GLHUNEWAOKWRDO-PKOBYXMFSA-N 1 2 329.488 2.489 20 30 EEEDLO C#CCOc1ccccc1CNC(=O)NCCCNc1cccc[nH+]1 ZINC000265214481 201215253 /nfs/dbraw/zinc/21/52/53/201215253.db2.gz RZZMOVZMDCSIMA-UHFFFAOYSA-N 1 2 338.411 2.395 20 30 EEEDLO C#CC[C@@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC000270501121 201239784 /nfs/dbraw/zinc/23/97/84/201239784.db2.gz YUDWMYSPRXOREC-QGZVFWFLSA-N 1 2 329.444 2.161 20 30 EEEDLO C#CC[C@@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC000270501121 201239787 /nfs/dbraw/zinc/23/97/87/201239787.db2.gz YUDWMYSPRXOREC-QGZVFWFLSA-N 1 2 329.444 2.161 20 30 EEEDLO C=C1CC[NH+](Cc2nc3oc(C)c(C(=O)OCC)c3c(N)n2)CC1 ZINC000275414051 201281924 /nfs/dbraw/zinc/28/19/24/201281924.db2.gz FDRRKMIRRSTYAX-UHFFFAOYSA-N 1 2 330.388 2.442 20 30 EEEDLO C#CCOc1cccc(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)c1 ZINC000275066387 201274917 /nfs/dbraw/zinc/27/49/17/201274917.db2.gz AAJXCNUSTTXVOF-SFHVURJKSA-N 1 2 328.412 2.138 20 30 EEEDLO C#CCOc1cccc(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)c1 ZINC000275066387 201274921 /nfs/dbraw/zinc/27/49/21/201274921.db2.gz AAJXCNUSTTXVOF-SFHVURJKSA-N 1 2 328.412 2.138 20 30 EEEDLO C=CC[C@]1(C(=O)NCc2[nH]cc[nH+]2)CCCN1C(=O)OC(C)(C)C ZINC000277264075 201300846 /nfs/dbraw/zinc/30/08/46/201300846.db2.gz NPWQDNFVQSIMRR-QGZVFWFLSA-N 1 2 334.420 2.372 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@H](C)CN2CCOCC2)c1C ZINC000279656114 201319702 /nfs/dbraw/zinc/31/97/02/201319702.db2.gz CCPDGPRTPBTFOE-MRXNPFEDSA-N 1 2 333.476 2.126 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@H](C)CN2CCOCC2)c1C ZINC000279656114 201319706 /nfs/dbraw/zinc/31/97/06/201319706.db2.gz CCPDGPRTPBTFOE-MRXNPFEDSA-N 1 2 333.476 2.126 20 30 EEEDLO C=CCn1c(C)cc(C(=O)CN(C)[C@H](C)C[NH+]2CCOCC2)c1C ZINC000279656114 201319707 /nfs/dbraw/zinc/31/97/07/201319707.db2.gz CCPDGPRTPBTFOE-MRXNPFEDSA-N 1 2 333.476 2.126 20 30 EEEDLO C[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)[C@@H](C)[NH+]1CCOCC1 ZINC000426152240 241223491 /nfs/dbraw/zinc/22/34/91/241223491.db2.gz HMFYGFIDERIIHY-VXGBXAGGSA-N 1 2 336.823 2.442 20 30 EEEDLO COc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCO2 ZINC000451643334 243187248 /nfs/dbraw/zinc/18/72/48/243187248.db2.gz OOCQJRCPXBCHAI-AUUYWEPGSA-N 1 2 345.443 2.333 20 30 EEEDLO COc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCO2 ZINC000451643334 243187251 /nfs/dbraw/zinc/18/72/51/243187251.db2.gz OOCQJRCPXBCHAI-AUUYWEPGSA-N 1 2 345.443 2.333 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000456037783 244135755 /nfs/dbraw/zinc/13/57/55/244135755.db2.gz XRJNMSRFZKZWHB-MRXNPFEDSA-N 1 2 343.471 2.306 20 30 EEEDLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268657452 284220677 /nfs/dbraw/zinc/22/06/77/284220677.db2.gz LEUZTRKTFMSGDA-MOPGFXCFSA-N 1 2 336.391 2.364 20 30 EEEDLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268657452 284220678 /nfs/dbraw/zinc/22/06/78/284220678.db2.gz LEUZTRKTFMSGDA-MOPGFXCFSA-N 1 2 336.391 2.364 20 30 EEEDLO Cc1nsc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1C#N ZINC000459561839 245166438 /nfs/dbraw/zinc/16/64/38/245166438.db2.gz NINDPDUCZJRNDQ-GFCCVEGCSA-N 1 2 329.385 2.403 20 30 EEEDLO COCC1(O)C[NH+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000459632051 245193829 /nfs/dbraw/zinc/19/38/29/245193829.db2.gz DAPZJSPDHKJDQG-UHFFFAOYSA-N 1 2 338.407 2.330 20 30 EEEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3nccs3)CC2)c1 ZINC000104713393 204116913 /nfs/dbraw/zinc/11/69/13/204116913.db2.gz JXXHRSGMHUFDHB-UHFFFAOYSA-N 1 2 342.424 2.497 20 30 EEEDLO CCCCCS(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000111290006 204350291 /nfs/dbraw/zinc/35/02/91/204350291.db2.gz KSSXRUOFAIDBQW-UHFFFAOYSA-N 1 2 335.473 2.196 20 30 EEEDLO CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000128779981 205162152 /nfs/dbraw/zinc/16/21/52/205162152.db2.gz AXHPAMLQDLQXQU-QGZVFWFLSA-N 1 2 335.411 2.374 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000155492942 206011546 /nfs/dbraw/zinc/01/15/46/206011546.db2.gz GFEKXUAMZHDMOQ-LBPRGKRZSA-N 1 2 329.354 2.337 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000155492942 206011552 /nfs/dbraw/zinc/01/15/52/206011552.db2.gz GFEKXUAMZHDMOQ-LBPRGKRZSA-N 1 2 329.354 2.337 20 30 EEEDLO Cc1cc(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cc[nH+]1 ZINC000496227649 247391613 /nfs/dbraw/zinc/39/16/13/247391613.db2.gz MSHDNVADDDZYDT-CQSZACIVSA-N 1 2 332.404 2.338 20 30 EEEDLO C#CCN(C1CCCC1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000491517141 533118094 /nfs/dbraw/zinc/11/80/94/533118094.db2.gz XLGJVFQKTTWLQY-UHFFFAOYSA-N 1 2 343.452 2.498 20 30 EEEDLO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1nnc2ccccn21 ZINC000193153139 533343306 /nfs/dbraw/zinc/34/33/06/533343306.db2.gz GLCMMQZYCGNBFA-OAHLLOKOSA-N 1 2 348.410 2.327 20 30 EEEDLO C#C[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000491655661 533330887 /nfs/dbraw/zinc/33/08/87/533330887.db2.gz CDUIGTIDGZNJAB-CPUCHLNUSA-N 1 2 349.862 2.423 20 30 EEEDLO Cc1cc[nH+]c(N2CCN([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000119956026 159383435 /nfs/dbraw/zinc/38/34/35/159383435.db2.gz ZSPLHGPEZZEBHD-INIZCTEOSA-N 1 2 349.438 2.411 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)ccc1F ZINC000119971641 159383822 /nfs/dbraw/zinc/38/38/22/159383822.db2.gz LTBZTTOSFJGELG-MRXNPFEDSA-N 1 2 333.432 2.237 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)ccc1F ZINC000119971641 159383823 /nfs/dbraw/zinc/38/38/23/159383823.db2.gz LTBZTTOSFJGELG-MRXNPFEDSA-N 1 2 333.432 2.237 20 30 EEEDLO C[N@H+](CC(=O)NCC(=O)c1cccs1)Cc1ccc(C#N)cc1 ZINC000346338069 161364225 /nfs/dbraw/zinc/36/42/25/161364225.db2.gz OAZYVHBULKZHMV-UHFFFAOYSA-N 1 2 327.409 2.051 20 30 EEEDLO C[N@@H+](CC(=O)NCC(=O)c1cccs1)Cc1ccc(C#N)cc1 ZINC000346338069 161364226 /nfs/dbraw/zinc/36/42/26/161364226.db2.gz OAZYVHBULKZHMV-UHFFFAOYSA-N 1 2 327.409 2.051 20 30 EEEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000151247804 292471255 /nfs/dbraw/zinc/47/12/55/292471255.db2.gz DZVZVWRBRZVNCJ-WFASDCNBSA-N 1 2 348.403 2.166 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000376543868 167348279 /nfs/dbraw/zinc/34/82/79/167348279.db2.gz WWKSDJDEFZKOMB-GOSISDBHSA-N 1 2 336.395 2.183 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000376543868 167348282 /nfs/dbraw/zinc/34/82/82/167348282.db2.gz WWKSDJDEFZKOMB-GOSISDBHSA-N 1 2 336.395 2.183 20 30 EEEDLO CC(=O)N1CC[NH+](CCNc2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000269421296 265663494 /nfs/dbraw/zinc/66/34/94/265663494.db2.gz XMLDCXDUAFAFPH-UHFFFAOYSA-N 1 2 340.349 2.153 20 30 EEEDLO COc1ccccc1C[NH+]1CCN(c2nnc(C)c(C)c2C#N)CC1 ZINC000301151636 266899348 /nfs/dbraw/zinc/89/93/48/266899348.db2.gz KQLWJBHOJSSWLO-UHFFFAOYSA-N 1 2 337.427 2.296 20 30 EEEDLO CCOC(=O)COc1ccc(CCNc2cc(C)[nH+]cc2C#N)cc1 ZINC000425239081 267118847 /nfs/dbraw/zinc/11/88/47/267118847.db2.gz VUUGFVMRSMXXOZ-UHFFFAOYSA-N 1 2 339.395 2.280 20 30 EEEDLO CCOC(=O)[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)C1CCOCC1 ZINC000443068624 267132168 /nfs/dbraw/zinc/13/21/68/267132168.db2.gz WEFZBYITDXKZPQ-KRWDZBQOSA-N 1 2 332.400 2.015 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279767739 267137804 /nfs/dbraw/zinc/13/78/04/267137804.db2.gz MUYOCWYOABLOBV-HUUCEWRRSA-N 1 2 343.427 2.155 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279767739 267137809 /nfs/dbraw/zinc/13/78/09/267137809.db2.gz MUYOCWYOABLOBV-HUUCEWRRSA-N 1 2 343.427 2.155 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c(Cl)c1 ZINC000328434441 268193767 /nfs/dbraw/zinc/19/37/67/268193767.db2.gz WQEPURIBKOHFBA-UHFFFAOYSA-N 1 2 339.848 2.070 20 30 EEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000528484673 268295628 /nfs/dbraw/zinc/29/56/28/268295628.db2.gz KPRNPFCFHIBPJW-KRWDZBQOSA-N 1 2 342.370 2.332 20 30 EEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCOc2ccc(F)cc2C1 ZINC000528484673 268295630 /nfs/dbraw/zinc/29/56/30/268295630.db2.gz KPRNPFCFHIBPJW-KRWDZBQOSA-N 1 2 342.370 2.332 20 30 EEEDLO C#CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)C(=O)OC ZINC000496561876 277698056 /nfs/dbraw/zinc/69/80/56/277698056.db2.gz AASQJNGTGFGFLZ-ILXRZTDVSA-N 1 2 338.448 2.177 20 30 EEEDLO C#C[C@H](C)N(C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000491813575 277704768 /nfs/dbraw/zinc/70/47/68/277704768.db2.gz BALFKYAORUHSBV-FUHWJXTLSA-N 1 2 329.444 2.031 20 30 EEEDLO COc1ccc2c(c1)OC(C)(C)C[N@@H+](CC(=O)NC1(C#N)CCC1)C2 ZINC000421036380 295265632 /nfs/dbraw/zinc/26/56/32/295265632.db2.gz IRSZVIAKEVZMPG-UHFFFAOYSA-N 1 2 343.427 2.231 20 30 EEEDLO COc1ccc2c(c1)OC(C)(C)C[N@H+](CC(=O)NC1(C#N)CCC1)C2 ZINC000421036380 295265634 /nfs/dbraw/zinc/26/56/34/295265634.db2.gz IRSZVIAKEVZMPG-UHFFFAOYSA-N 1 2 343.427 2.231 20 30 EEEDLO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccccc2C#N)c1 ZINC000179084669 311443780 /nfs/dbraw/zinc/44/37/80/311443780.db2.gz ZZTPIPHVFSMBMX-CYBMUJFWSA-N 1 2 329.425 2.317 20 30 EEEDLO N#Cc1nccc(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)n1 ZINC000555020742 318580079 /nfs/dbraw/zinc/58/00/79/318580079.db2.gz DOPGWYIKTHJXGP-UHFFFAOYSA-N 1 2 331.782 2.463 20 30 EEEDLO N#Cc1c(F)cccc1C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000566461456 319290988 /nfs/dbraw/zinc/29/09/88/319290988.db2.gz GHPSMVVNYHTCBZ-UHFFFAOYSA-N 1 2 325.334 2.404 20 30 EEEDLO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)c2[nH+]ccn21 ZINC000575323636 320100816 /nfs/dbraw/zinc/10/08/16/320100816.db2.gz NBJQSNZIYAXLCA-SKDRFNHKSA-N 1 2 336.804 2.392 20 30 EEEDLO CCCC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCN(CCC#N)CC1 ZINC000611175618 449202028 /nfs/dbraw/zinc/20/20/28/449202028.db2.gz JYLYLFZIJZESCE-OAHLLOKOSA-N 1 2 333.436 2.012 20 30 EEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1csc([C@@H]2CCCO2)n1 ZINC000328798122 465131388 /nfs/dbraw/zinc/13/13/88/465131388.db2.gz WKATYAVALDQNHF-YPMHNXCESA-N 1 2 325.434 2.020 20 30 EEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1csc([C@@H]2CCCO2)n1 ZINC000328798122 465131398 /nfs/dbraw/zinc/13/13/98/465131398.db2.gz WKATYAVALDQNHF-YPMHNXCESA-N 1 2 325.434 2.020 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000347650337 465148387 /nfs/dbraw/zinc/14/83/87/465148387.db2.gz HNGZFSCQLDFNQK-OAHLLOKOSA-N 1 2 348.443 2.101 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000347650337 465148395 /nfs/dbraw/zinc/14/83/95/465148395.db2.gz HNGZFSCQLDFNQK-OAHLLOKOSA-N 1 2 348.443 2.101 20 30 EEEDLO O=C(Nc1cccn(CC(F)(F)F)c1=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328956564 465181773 /nfs/dbraw/zinc/18/17/73/465181773.db2.gz PAMFVNNDLJCQDV-JTQLQIEISA-N 1 2 340.305 2.458 20 30 EEEDLO CN1C(=O)N[C@@H]2C[N@H+]([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)CC[C@@H]21 ZINC000329031974 465210233 /nfs/dbraw/zinc/21/02/33/465210233.db2.gz PYSUJDWVUBMLLM-OWCLPIDISA-N 1 2 346.406 2.288 20 30 EEEDLO CN1C(=O)N[C@@H]2C[N@@H+]([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)CC[C@@H]21 ZINC000329031974 465210238 /nfs/dbraw/zinc/21/02/38/465210238.db2.gz PYSUJDWVUBMLLM-OWCLPIDISA-N 1 2 346.406 2.288 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000297192806 465247928 /nfs/dbraw/zinc/24/79/28/465247928.db2.gz QVASNOJJTHZZCM-INIZCTEOSA-N 1 2 337.423 2.049 20 30 EEEDLO C=CCCC1(C(=O)NC[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)CC1 ZINC000356055092 465288910 /nfs/dbraw/zinc/28/89/10/465288910.db2.gz GQWQBFQKQLZQMH-CABCVRRESA-N 1 2 334.439 2.195 20 30 EEEDLO C=CC[C@@H](CO)CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000342213338 465302707 /nfs/dbraw/zinc/30/27/07/465302707.db2.gz QCXHOUNGMUENDA-WBVHZDCISA-N 1 2 334.485 2.077 20 30 EEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)C1(N3CCOCC3)CCC1)CCC2 ZINC000329345464 465306851 /nfs/dbraw/zinc/30/68/51/465306851.db2.gz USDWVEKAPICBNF-OAHLLOKOSA-N 1 2 332.448 2.280 20 30 EEEDLO Cc1ccn2cc(CNC(=O)N3CCC[C@H]4C(=O)NC[C@H]43)[nH+]c2c1 ZINC000329373818 465314906 /nfs/dbraw/zinc/31/49/06/465314906.db2.gz NFYWPFRGHQMNCH-ZIAGYGMSSA-N 1 2 327.388 2.107 20 30 EEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)[C@@]12CCCO2 ZINC000329497017 465353447 /nfs/dbraw/zinc/35/34/47/465353447.db2.gz GGGQKPUYDIXZOL-DAYGRLMNSA-N 1 2 348.447 2.230 20 30 EEEDLO CC[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@H](C)[S@]1=O ZINC000552178417 468314299 /nfs/dbraw/zinc/31/42/99/468314299.db2.gz HJBDURWYCZTLRV-WBLQJCTDSA-N 1 2 339.486 2.180 20 30 EEEDLO CC[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@H](C)[S@]1=O ZINC000552178417 468314305 /nfs/dbraw/zinc/31/43/05/468314305.db2.gz HJBDURWYCZTLRV-WBLQJCTDSA-N 1 2 339.486 2.180 20 30 EEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(CCC#N)CC1CC1 ZINC000119374717 462896130 /nfs/dbraw/zinc/89/61/30/462896130.db2.gz GRZHZWKGUFIEDJ-UHFFFAOYSA-N 1 2 343.431 2.384 20 30 EEEDLO CC(C)CCNC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000119618062 462917736 /nfs/dbraw/zinc/91/77/36/462917736.db2.gz AIQCOHQDDMTKPM-PKOBYXMFSA-N 1 2 342.487 2.420 20 30 EEEDLO Cc1cc[nH+]c(N2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000120027795 462953670 /nfs/dbraw/zinc/95/36/70/462953670.db2.gz QFJXHKDZSWHRGK-UHFFFAOYSA-N 1 2 335.411 2.022 20 30 EEEDLO N#CCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000078098376 463083892 /nfs/dbraw/zinc/08/38/92/463083892.db2.gz HPHANTPCJNYHBU-LJQANCHMSA-N 1 2 335.407 2.444 20 30 EEEDLO N#CCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000078098376 463083896 /nfs/dbraw/zinc/08/38/96/463083896.db2.gz HPHANTPCJNYHBU-LJQANCHMSA-N 1 2 335.407 2.444 20 30 EEEDLO N#Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000024740483 463096374 /nfs/dbraw/zinc/09/63/74/463096374.db2.gz FSBOYAQLQCPTAZ-UHFFFAOYSA-N 1 2 337.383 2.112 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000078386616 463112231 /nfs/dbraw/zinc/11/22/31/463112231.db2.gz SZNLVNPJCWMZRO-SFHVURJKSA-N 1 2 339.443 2.037 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1c(F)cccc1F ZINC000078451911 463117769 /nfs/dbraw/zinc/11/77/69/463117769.db2.gz LAPFHRUTSZIIHZ-UHFFFAOYSA-N 1 2 338.358 2.045 20 30 EEEDLO Cc1noc(C2CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)n1 ZINC000053641138 463180814 /nfs/dbraw/zinc/18/08/14/463180814.db2.gz GZKDZXOORKRCAY-PXAZEXFGSA-N 1 2 333.436 2.000 20 30 EEEDLO CCOCCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000157899593 463183388 /nfs/dbraw/zinc/18/33/88/463183388.db2.gz SGFGZMKNNAATQK-ZBFHGGJFSA-N 1 2 331.416 2.013 20 30 EEEDLO CCOCCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000157899593 463183393 /nfs/dbraw/zinc/18/33/93/463183393.db2.gz SGFGZMKNNAATQK-ZBFHGGJFSA-N 1 2 331.416 2.013 20 30 EEEDLO C=CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(OC)cc1 ZINC000054271894 463222661 /nfs/dbraw/zinc/22/26/61/463222661.db2.gz MVWCVMQFIVZHHZ-LJQANCHMSA-N 1 2 327.428 2.492 20 30 EEEDLO C=CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(OC)cc1 ZINC000054271894 463222665 /nfs/dbraw/zinc/22/26/65/463222665.db2.gz MVWCVMQFIVZHHZ-LJQANCHMSA-N 1 2 327.428 2.492 20 30 EEEDLO C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000079610879 463234736 /nfs/dbraw/zinc/23/47/36/463234736.db2.gz HKDRMHVXZGRZHG-OAHLLOKOSA-N 1 2 335.423 2.244 20 30 EEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029856833 463275720 /nfs/dbraw/zinc/27/57/20/463275720.db2.gz HHBRXLXREGPBCQ-AWEZNQCLSA-N 1 2 344.434 2.267 20 30 EEEDLO C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000123521206 463347861 /nfs/dbraw/zinc/34/78/61/463347861.db2.gz MIEPIPSBXVIFLR-HNNXBMFYSA-N 1 2 335.407 2.458 20 30 EEEDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000123521206 463347866 /nfs/dbraw/zinc/34/78/66/463347866.db2.gz MIEPIPSBXVIFLR-HNNXBMFYSA-N 1 2 335.407 2.458 20 30 EEEDLO N#CCC[N@@H+](CC(=O)NCCOc1cccc(Cl)c1)CC1CC1 ZINC000081044531 463387263 /nfs/dbraw/zinc/38/72/63/463387263.db2.gz OMMZLSOUMNGFAT-UHFFFAOYSA-N 1 2 335.835 2.461 20 30 EEEDLO N#CCC[N@H+](CC(=O)NCCOc1cccc(Cl)c1)CC1CC1 ZINC000081044531 463387266 /nfs/dbraw/zinc/38/72/66/463387266.db2.gz OMMZLSOUMNGFAT-UHFFFAOYSA-N 1 2 335.835 2.461 20 30 EEEDLO Cc1cccn2cc(CCNS(=O)(=O)c3ccccc3C#N)[nH+]c12 ZINC000124344933 463411714 /nfs/dbraw/zinc/41/17/14/463411714.db2.gz VFJHHRDNHPLVTH-UHFFFAOYSA-N 1 2 340.408 2.035 20 30 EEEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](C)[NH+]2CCSCC2)cc1 ZINC000151298142 463509475 /nfs/dbraw/zinc/50/94/75/463509475.db2.gz HVWZYQPGRZAIHU-CYBMUJFWSA-N 1 2 348.472 2.370 20 30 EEEDLO N#Cc1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)nc1 ZINC000107545728 463574034 /nfs/dbraw/zinc/57/40/34/463574034.db2.gz YJBIEZVYCLGHBV-UHFFFAOYSA-N 1 2 331.379 2.171 20 30 EEEDLO N#Cc1csc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000084069581 463575736 /nfs/dbraw/zinc/57/57/36/463575736.db2.gz AOWAYYQKUQGRQN-INIZCTEOSA-N 1 2 341.436 2.251 20 30 EEEDLO N#Cc1csc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000084069581 463575743 /nfs/dbraw/zinc/57/57/43/463575743.db2.gz AOWAYYQKUQGRQN-INIZCTEOSA-N 1 2 341.436 2.251 20 30 EEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O)c1C ZINC000126106764 463606080 /nfs/dbraw/zinc/60/60/80/463606080.db2.gz JQAGGWAREJLTSZ-OYLFLEFRSA-N 1 2 349.500 2.249 20 30 EEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)C[S@](C)=O)c1C ZINC000126106764 463606083 /nfs/dbraw/zinc/60/60/83/463606083.db2.gz JQAGGWAREJLTSZ-OYLFLEFRSA-N 1 2 349.500 2.249 20 30 EEEDLO C[C@@H](CC(=O)NC1(C#N)CC[NH+](C)CC1)C(=O)c1cccc(F)c1 ZINC000073454977 463614604 /nfs/dbraw/zinc/61/46/04/463614604.db2.gz CGYQDVNKPLQHLS-ZDUSSCGKSA-N 1 2 331.391 2.139 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)CCN1CCCC1=O ZINC000112703524 463706249 /nfs/dbraw/zinc/70/62/49/463706249.db2.gz FXAHWYNAVOWDSF-UHFFFAOYSA-N 1 2 347.484 2.457 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)CCN1CCCC1=O ZINC000112703524 463706250 /nfs/dbraw/zinc/70/62/50/463706250.db2.gz FXAHWYNAVOWDSF-UHFFFAOYSA-N 1 2 347.484 2.457 20 30 EEEDLO C[C@H](CC#N)N(C)CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000177502261 463721840 /nfs/dbraw/zinc/72/18/40/463721840.db2.gz AMWNLBIIIVRBNN-OAHLLOKOSA-N 1 2 348.878 2.218 20 30 EEEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000590958843 468384260 /nfs/dbraw/zinc/38/42/60/468384260.db2.gz KZFBAFPRBZYPQS-GUTXKFCHSA-N 1 2 329.400 2.457 20 30 EEEDLO CCC[C@@H](C#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000523284098 468386341 /nfs/dbraw/zinc/38/63/41/468386341.db2.gz SHZIIYOFMJURGW-INIZCTEOSA-N 1 2 339.399 2.334 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CC(=C)C)CC1 ZINC000283715173 463983159 /nfs/dbraw/zinc/98/31/59/463983159.db2.gz WYKGMMPACVCSHT-UHFFFAOYSA-N 1 2 325.416 2.178 20 30 EEEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000186584691 464027515 /nfs/dbraw/zinc/02/75/15/464027515.db2.gz YOFVDXOIXIZGGM-UHFFFAOYSA-N 1 2 347.846 2.282 20 30 EEEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)O[NH+]=C(N)[C@@H]1CCCO1 ZINC000283973400 464055489 /nfs/dbraw/zinc/05/54/89/464055489.db2.gz GKXAAEKKXBJMCG-RNCFNFMXSA-N 1 2 341.795 2.143 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000523439607 468393836 /nfs/dbraw/zinc/39/38/36/468393836.db2.gz FLUHPVCJUCYFOB-JSGCOSHPSA-N 1 2 335.370 2.084 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000523439607 468393837 /nfs/dbraw/zinc/39/38/37/468393837.db2.gz FLUHPVCJUCYFOB-JSGCOSHPSA-N 1 2 335.370 2.084 20 30 EEEDLO CC[C@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])OC ZINC000290574833 464124578 /nfs/dbraw/zinc/12/45/78/464124578.db2.gz OTZIWGHMTJWNKR-GFCCVEGCSA-N 1 2 328.416 2.071 20 30 EEEDLO CN(C)c1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000292531985 464263643 /nfs/dbraw/zinc/26/36/43/464263643.db2.gz DJXWIPYMIGEPIC-UHFFFAOYSA-N 1 2 341.440 2.321 20 30 EEEDLO CN(C)c1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000292531985 464263649 /nfs/dbraw/zinc/26/36/49/464263649.db2.gz DJXWIPYMIGEPIC-UHFFFAOYSA-N 1 2 341.440 2.321 20 30 EEEDLO CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000180888403 464415215 /nfs/dbraw/zinc/41/52/15/464415215.db2.gz QNBMFYTUZWGVKV-UHFFFAOYSA-N 1 2 336.233 2.375 20 30 EEEDLO CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000180888403 464415212 /nfs/dbraw/zinc/41/52/12/464415212.db2.gz QNBMFYTUZWGVKV-UHFFFAOYSA-N 1 2 336.233 2.375 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545932309 468405700 /nfs/dbraw/zinc/40/57/00/468405700.db2.gz ZHONWZXQIPDCTE-WFASDCNBSA-N 1 2 349.397 2.020 20 30 EEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCCOc1ccccc1[N+](=O)[O-] ZINC000181672723 464519964 /nfs/dbraw/zinc/51/99/64/464519964.db2.gz BKQGUAISFCGBKF-LBPRGKRZSA-N 1 2 325.365 2.324 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000246219438 464560075 /nfs/dbraw/zinc/56/00/75/464560075.db2.gz YLKPZXWNWRYBAO-DOMZBBRYSA-N 1 2 335.835 2.068 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000246219438 464560080 /nfs/dbraw/zinc/56/00/80/464560080.db2.gz YLKPZXWNWRYBAO-DOMZBBRYSA-N 1 2 335.835 2.068 20 30 EEEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3ccccc3Cl)CC2)C1=O ZINC000281912345 464632965 /nfs/dbraw/zinc/63/29/65/464632965.db2.gz GPPHXGYBAMPSLQ-QGZVFWFLSA-N 1 2 333.863 2.245 20 30 EEEDLO C=CCN1CC[C@@H](N2CC[NH+](Cc3ccccc3Cl)CC2)C1=O ZINC000281912345 464632971 /nfs/dbraw/zinc/63/29/71/464632971.db2.gz GPPHXGYBAMPSLQ-QGZVFWFLSA-N 1 2 333.863 2.245 20 30 EEEDLO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nccs1 ZINC000190630958 464691495 /nfs/dbraw/zinc/69/14/95/464691495.db2.gz OMSUCAWJWCNIBB-SWLSCSKDSA-N 1 2 326.425 2.466 20 30 EEEDLO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2nncn2C)c1C ZINC000275154960 464765623 /nfs/dbraw/zinc/76/56/23/464765623.db2.gz HKZIHKZQFHSBAJ-HNNXBMFYSA-N 1 2 340.431 2.029 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2cccc(C#N)c2)CC1(C)C ZINC000295366766 464804705 /nfs/dbraw/zinc/80/47/05/464804705.db2.gz SIGMMWUOBDGQSP-AWEZNQCLSA-N 1 2 330.413 2.064 20 30 EEEDLO C[C@H](NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)OCO2 ZINC000329961107 465488419 /nfs/dbraw/zinc/48/84/19/465488419.db2.gz RKMHUZZRKDTYLP-STQMWFEESA-N 1 2 342.399 2.439 20 30 EEEDLO C=CCN(C)S(=O)(=O)c1ccc(NCc2[nH+]ccn2CC)cc1 ZINC000177093741 464927893 /nfs/dbraw/zinc/92/78/93/464927893.db2.gz BSUOMGFTBYHXBR-UHFFFAOYSA-N 1 2 334.445 2.322 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000267640445 464937116 /nfs/dbraw/zinc/93/71/16/464937116.db2.gz VRGZXBDVHLUEEM-HOTGVXAUSA-N 1 2 342.395 2.047 20 30 EEEDLO C=CCOc1cccc(C[NH+]2CCN(CC(=O)N[C@H](C)CC)CC2)c1 ZINC000192584535 464951342 /nfs/dbraw/zinc/95/13/42/464951342.db2.gz WJTNLJZAGFTGOV-QGZVFWFLSA-N 1 2 345.487 2.284 20 30 EEEDLO COc1cccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1F ZINC000192960876 465019090 /nfs/dbraw/zinc/01/90/90/465019090.db2.gz LMDBTAPFEBQKGB-ZDUSSCGKSA-N 1 2 341.390 2.207 20 30 EEEDLO COc1cccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1F ZINC000192960876 465019094 /nfs/dbraw/zinc/01/90/94/465019094.db2.gz LMDBTAPFEBQKGB-ZDUSSCGKSA-N 1 2 341.390 2.207 20 30 EEEDLO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000329412234 465325474 /nfs/dbraw/zinc/32/54/74/465325474.db2.gz FCKZHBCULWSJEP-XAJHFOFHSA-N 1 2 346.475 2.373 20 30 EEEDLO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000329412234 465325480 /nfs/dbraw/zinc/32/54/80/465325480.db2.gz FCKZHBCULWSJEP-XAJHFOFHSA-N 1 2 346.475 2.373 20 30 EEEDLO O=C(Cn1c2ccccc2[nH+]c1C1CCCCC1)NCC#CCO ZINC000347953826 465330892 /nfs/dbraw/zinc/33/08/92/465330892.db2.gz LLJBBRPHPWXVAZ-UHFFFAOYSA-N 1 2 325.412 2.196 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nnc(-c2ccccc2F)o1 ZINC000591241185 468431625 /nfs/dbraw/zinc/43/16/25/468431625.db2.gz LDAIHQLBOUYPHR-NSHDSACASA-N 1 2 336.392 2.174 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nnc(-c2ccccc2F)o1 ZINC000591241185 468431630 /nfs/dbraw/zinc/43/16/30/468431630.db2.gz LDAIHQLBOUYPHR-NSHDSACASA-N 1 2 336.392 2.174 20 30 EEEDLO Cc1cccc2c1OC[C@H]([NH+]=C([O-])N[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC000329646546 465397675 /nfs/dbraw/zinc/39/76/75/465397675.db2.gz IYDBRDYFGMAHMP-HUUCEWRRSA-N 1 2 326.400 2.014 20 30 EEEDLO Cc1cccc2c1OC[C@H](NC([O-])=[NH+][C@@H]1CCn3cc[nH+]c3C1)C2 ZINC000329646546 465397681 /nfs/dbraw/zinc/39/76/81/465397681.db2.gz IYDBRDYFGMAHMP-HUUCEWRRSA-N 1 2 326.400 2.014 20 30 EEEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000329652349 465398157 /nfs/dbraw/zinc/39/81/57/465398157.db2.gz DHFXYDDZICMIMB-GUYCJALGSA-N 1 2 346.431 2.287 20 30 EEEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000329652349 465398162 /nfs/dbraw/zinc/39/81/62/465398162.db2.gz DHFXYDDZICMIMB-GUYCJALGSA-N 1 2 346.431 2.287 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000356472723 465405226 /nfs/dbraw/zinc/40/52/26/465405226.db2.gz IOBUXFARIVYCDG-MRXNPFEDSA-N 1 2 343.818 2.272 20 30 EEEDLO C[NH+](C)C1(CNC(=O)N[C@H]2CCc3[nH]cnc3C2)CCCCCC1 ZINC000329709278 465412142 /nfs/dbraw/zinc/41/21/42/465412142.db2.gz LNDDEWCBRYITFT-AWEZNQCLSA-N 1 2 333.480 2.425 20 30 EEEDLO C[NH+](C)C1(CNC(=O)N[C@H]2CCc3nc[nH]c3C2)CCCCCC1 ZINC000329709278 465412152 /nfs/dbraw/zinc/41/21/52/465412152.db2.gz LNDDEWCBRYITFT-AWEZNQCLSA-N 1 2 333.480 2.425 20 30 EEEDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329756131 465425298 /nfs/dbraw/zinc/42/52/98/465425298.db2.gz MBWVWSNSPNINRN-ULQDDVLXSA-N 1 2 344.459 2.189 20 30 EEEDLO Cc1noc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)n1 ZINC000348106233 465425749 /nfs/dbraw/zinc/42/57/49/465425749.db2.gz GKJIYUZZVRGBSO-QWHCGFSZSA-N 1 2 327.388 2.364 20 30 EEEDLO O=C(Nc1cccc2c1OCCC2=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329786064 465434072 /nfs/dbraw/zinc/43/40/72/465434072.db2.gz QJORYFUVCLLBSM-SNVBAGLBSA-N 1 2 326.356 2.258 20 30 EEEDLO O=C(Nc1cccc2c1OCCC2=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329786064 465434079 /nfs/dbraw/zinc/43/40/79/465434079.db2.gz QJORYFUVCLLBSM-SNVBAGLBSA-N 1 2 326.356 2.258 20 30 EEEDLO CC(C)[N@H+](CC(=O)NCC#N)Cc1cc(Br)ccc1F ZINC000343036745 465469091 /nfs/dbraw/zinc/46/90/91/465469091.db2.gz BWHPQCDWVYYTHS-UHFFFAOYSA-N 1 2 342.212 2.438 20 30 EEEDLO CC(C)[N@@H+](CC(=O)NCC#N)Cc1cc(Br)ccc1F ZINC000343036745 465469096 /nfs/dbraw/zinc/46/90/96/465469096.db2.gz BWHPQCDWVYYTHS-UHFFFAOYSA-N 1 2 342.212 2.438 20 30 EEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(OC4CCC4)c(F)c3)C[C@H]21 ZINC000329917621 465473690 /nfs/dbraw/zinc/47/36/90/465473690.db2.gz FMNDGQPRPYRKIS-WBVHZDCISA-N 1 2 349.406 2.317 20 30 EEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(OC4CCC4)c(F)c3)C[C@H]21 ZINC000329917621 465473694 /nfs/dbraw/zinc/47/36/94/465473694.db2.gz FMNDGQPRPYRKIS-WBVHZDCISA-N 1 2 349.406 2.317 20 30 EEEDLO Cc1noc([C@H]2CCC[N@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000298775375 465500499 /nfs/dbraw/zinc/50/04/99/465500499.db2.gz IIJSDIHITTZEAL-ZDUSSCGKSA-N 1 2 343.387 2.278 20 30 EEEDLO Cc1noc([C@H]2CCC[N@@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000298775375 465500506 /nfs/dbraw/zinc/50/05/06/465500506.db2.gz IIJSDIHITTZEAL-ZDUSSCGKSA-N 1 2 343.387 2.278 20 30 EEEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2oc(CC3CC3)nc2C)CC1 ZINC000330015664 465507646 /nfs/dbraw/zinc/50/76/46/465507646.db2.gz OIKWEDYSTSVCIH-UHFFFAOYSA-N 1 2 348.447 2.060 20 30 EEEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2oc(CC3CC3)nc2C)CC1 ZINC000330015664 465507650 /nfs/dbraw/zinc/50/76/50/465507650.db2.gz OIKWEDYSTSVCIH-UHFFFAOYSA-N 1 2 348.447 2.060 20 30 EEEDLO N#CC1(CS(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCCCC1 ZINC000330036488 465513595 /nfs/dbraw/zinc/51/35/95/465513595.db2.gz YGVKESYKICPRSE-HNNXBMFYSA-N 1 2 348.472 2.054 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000337682868 465516447 /nfs/dbraw/zinc/51/64/47/465516447.db2.gz OABQKHSITUKHKL-UHFFFAOYSA-N 1 2 347.503 2.302 20 30 EEEDLO CCN1CCN(C(=O)Nc2nc(C)c(C)s2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330061428 465520925 /nfs/dbraw/zinc/52/09/25/465520925.db2.gz OGRQVMGTDFAMNH-LBPRGKRZSA-N 1 2 334.449 2.407 20 30 EEEDLO CCCCN(CC)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000337699158 465525964 /nfs/dbraw/zinc/52/59/64/465525964.db2.gz VIFOQSYCRLCEQS-UHFFFAOYSA-N 1 2 346.450 2.468 20 30 EEEDLO N#CC1(F)CC[NH+](CC(=O)NCc2ccc(OC(F)F)cc2)CC1 ZINC000352459370 465531471 /nfs/dbraw/zinc/53/14/71/465531471.db2.gz XLUMHAQSZGUAKT-UHFFFAOYSA-N 1 2 341.333 2.232 20 30 EEEDLO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1nnc2ccccn21 ZINC000298896433 465536491 /nfs/dbraw/zinc/53/64/91/465536491.db2.gz MCFPQCBRHKJNCH-CZUORRHYSA-N 1 2 346.394 2.057 20 30 EEEDLO C[C@H]1C[C@@H](O)CCN1C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000330186063 465562113 /nfs/dbraw/zinc/56/21/13/465562113.db2.gz JMAFXFVDKMVGBW-IHRRRGAJSA-N 1 2 334.464 2.255 20 30 EEEDLO CN(C[C@@H]1CCOC1)C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000330196216 465564466 /nfs/dbraw/zinc/56/44/66/465564466.db2.gz PXGOZJCZSTXDIN-KBPBESRZSA-N 1 2 334.464 2.378 20 30 EEEDLO C[C@H]([NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1OCCc2sccc21 ZINC000330212456 465569965 /nfs/dbraw/zinc/56/99/65/465569965.db2.gz KFBJUHJNNBVJTD-OZVIIMIRSA-N 1 2 346.456 2.466 20 30 EEEDLO C[C@H](NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1OCCc2sccc21 ZINC000330212456 465569968 /nfs/dbraw/zinc/56/99/68/465569968.db2.gz KFBJUHJNNBVJTD-OZVIIMIRSA-N 1 2 346.456 2.466 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000362211349 465575328 /nfs/dbraw/zinc/57/53/28/465575328.db2.gz BSOQVNJGSIBEMP-HNNXBMFYSA-N 1 2 348.443 2.053 20 30 EEEDLO CCN1CCN(C(=O)Nc2ccccc2N(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330352348 465625519 /nfs/dbraw/zinc/62/55/19/465625519.db2.gz NGKVVPLYVFBGRY-MRXNPFEDSA-N 1 2 342.447 2.400 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000299282796 465681704 /nfs/dbraw/zinc/68/17/04/465681704.db2.gz CMNHAVDNHPWLSD-KRWDZBQOSA-N 1 2 332.444 2.191 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000353163206 465686574 /nfs/dbraw/zinc/68/65/74/465686574.db2.gz CAKXEYFMNNZQPT-UGSOOPFHSA-N 1 2 331.416 2.030 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000353163206 465686576 /nfs/dbraw/zinc/68/65/76/465686576.db2.gz CAKXEYFMNNZQPT-UGSOOPFHSA-N 1 2 331.416 2.030 20 30 EEEDLO CCc1ccc(CCC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000299496379 465775445 /nfs/dbraw/zinc/77/54/45/465775445.db2.gz FEBGEMZCDLFHKD-UHFFFAOYSA-N 1 2 343.471 2.256 20 30 EEEDLO Cc1cc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)nn1CCC#N ZINC000348800693 465802998 /nfs/dbraw/zinc/80/29/98/465802998.db2.gz ZVWWPMIDKMNSJS-UHFFFAOYSA-N 1 2 334.383 2.852 20 30 EEEDLO N#CC1(F)CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000345008420 465815331 /nfs/dbraw/zinc/81/53/31/465815331.db2.gz IKOPEFXWZOYQLY-UHFFFAOYSA-N 1 2 327.363 2.410 20 30 EEEDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCC1CCN(CC#N)CC1 ZINC000301906259 466057363 /nfs/dbraw/zinc/05/73/63/466057363.db2.gz ZBEPHVAKYKJSIZ-UHFFFAOYSA-N 1 2 327.436 2.229 20 30 EEEDLO C=CCC[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C(=O)OCC ZINC000569432171 468488946 /nfs/dbraw/zinc/48/89/46/468488946.db2.gz ZDSLYSQGTHFQEN-HNNXBMFYSA-N 1 2 329.400 2.199 20 30 EEEDLO C=CCCCC[NH+]1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC000581291372 468490604 /nfs/dbraw/zinc/49/06/04/468490604.db2.gz CLOOHMKNQYGPQT-UHFFFAOYSA-N 1 2 329.491 2.114 20 30 EEEDLO C=CCOCC[N@@H+](CC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000338896762 466468382 /nfs/dbraw/zinc/46/83/82/466468382.db2.gz BNXWKSMRAWOUKL-UHFFFAOYSA-N 1 2 347.415 2.377 20 30 EEEDLO C=CCOCC[N@H+](CC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000338896762 466468388 /nfs/dbraw/zinc/46/83/88/466468388.db2.gz BNXWKSMRAWOUKL-UHFFFAOYSA-N 1 2 347.415 2.377 20 30 EEEDLO N#Cc1nnc2ccccc2c1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000354352355 466498304 /nfs/dbraw/zinc/49/83/04/466498304.db2.gz JEYWDXOVFVBGKA-UHFFFAOYSA-N 1 2 332.367 2.477 20 30 EEEDLO C#CCNC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000367820418 466541643 /nfs/dbraw/zinc/54/16/43/466541643.db2.gz IULJUWOLRZQNLL-UKRRQHHQSA-N 1 2 325.334 2.172 20 30 EEEDLO C#CCNC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000367820418 466541646 /nfs/dbraw/zinc/54/16/46/466541646.db2.gz IULJUWOLRZQNLL-UKRRQHHQSA-N 1 2 325.334 2.172 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000314495164 466551444 /nfs/dbraw/zinc/55/14/44/466551444.db2.gz QVMNSUGCVVPFEG-WFASDCNBSA-N 1 2 348.244 2.421 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000314495164 466551452 /nfs/dbraw/zinc/55/14/52/466551452.db2.gz QVMNSUGCVVPFEG-WFASDCNBSA-N 1 2 348.244 2.421 20 30 EEEDLO COCC1(C#N)CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000347335855 466574571 /nfs/dbraw/zinc/57/45/71/466574571.db2.gz SQZHQRAVXOWCOK-UHFFFAOYSA-N 1 2 326.400 2.124 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000368832990 466701714 /nfs/dbraw/zinc/70/17/14/466701714.db2.gz HQOBHPUHZNUKTQ-UHFFFAOYSA-N 1 2 335.354 2.066 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000368832990 466701717 /nfs/dbraw/zinc/70/17/17/466701717.db2.gz HQOBHPUHZNUKTQ-UHFFFAOYSA-N 1 2 335.354 2.066 20 30 EEEDLO CC[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1occc1C ZINC000412025989 466969834 /nfs/dbraw/zinc/96/98/34/466969834.db2.gz KFNCATXVCMQTPI-QGZVFWFLSA-N 1 2 346.475 2.102 20 30 EEEDLO CC[N@@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1occc1C ZINC000412025989 466969836 /nfs/dbraw/zinc/96/98/36/466969836.db2.gz KFNCATXVCMQTPI-QGZVFWFLSA-N 1 2 346.475 2.102 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)ccc1F ZINC000366053508 467042462 /nfs/dbraw/zinc/04/24/62/467042462.db2.gz QZFCGRGPNHRFCO-UHFFFAOYSA-N 1 2 326.375 2.374 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)ccc1F ZINC000366053508 467042467 /nfs/dbraw/zinc/04/24/67/467042467.db2.gz QZFCGRGPNHRFCO-UHFFFAOYSA-N 1 2 326.375 2.374 20 30 EEEDLO Cn1cccc1C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000378113914 467202145 /nfs/dbraw/zinc/20/21/45/467202145.db2.gz RFYJYGIYNFMSGC-UHFFFAOYSA-N 1 2 340.402 2.430 20 30 EEEDLO Cc1nc(C(C)C)oc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000428225312 467213792 /nfs/dbraw/zinc/21/37/92/467213792.db2.gz SATVIOVNTCELTF-ZDUSSCGKSA-N 1 2 340.431 2.479 20 30 EEEDLO Cc1nc(C(C)C)oc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000428225312 467213797 /nfs/dbraw/zinc/21/37/97/467213797.db2.gz SATVIOVNTCELTF-ZDUSSCGKSA-N 1 2 340.431 2.479 20 30 EEEDLO COc1cccc(-n2ccnc2SC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000414095526 467376516 /nfs/dbraw/zinc/37/65/16/467376516.db2.gz KCCDYEDWEGEJGA-OAHLLOKOSA-N 1 2 346.456 2.179 20 30 EEEDLO COc1cccc(-n2ccnc2SC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414095526 467376519 /nfs/dbraw/zinc/37/65/19/467376519.db2.gz KCCDYEDWEGEJGA-OAHLLOKOSA-N 1 2 346.456 2.179 20 30 EEEDLO CCOc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000527048629 467652743 /nfs/dbraw/zinc/65/27/43/467652743.db2.gz DUKYSXKPYYSDBV-CQSZACIVSA-N 1 2 327.428 2.394 20 30 EEEDLO CCOc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000527048629 467652746 /nfs/dbraw/zinc/65/27/46/467652746.db2.gz DUKYSXKPYYSDBV-CQSZACIVSA-N 1 2 327.428 2.394 20 30 EEEDLO C=C(CC)CNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000458359946 467815019 /nfs/dbraw/zinc/81/50/19/467815019.db2.gz FMQKRCHWQGEWNH-SFHVURJKSA-N 1 2 331.460 2.195 20 30 EEEDLO C=C(C)CCNC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000459012954 467937338 /nfs/dbraw/zinc/93/73/38/467937338.db2.gz YIMUOIVRCJBLQP-UHFFFAOYSA-N 1 2 347.459 2.497 20 30 EEEDLO CC(C)[C@H](C(=O)Nc1cc(CC#N)ccn1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000531670352 468068273 /nfs/dbraw/zinc/06/82/73/468068273.db2.gz HWIKHBAZUUPBIL-CKEIUWERSA-N 1 2 330.432 2.220 20 30 EEEDLO C=CCc1cc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)cc(OC)c1O ZINC000494658935 468078285 /nfs/dbraw/zinc/07/82/85/468078285.db2.gz KDNHHDNAFGGRQG-HNNXBMFYSA-N 1 2 332.400 2.156 20 30 EEEDLO C=CCc1cc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)cc(OC)c1O ZINC000494658935 468078287 /nfs/dbraw/zinc/07/82/87/468078287.db2.gz KDNHHDNAFGGRQG-HNNXBMFYSA-N 1 2 332.400 2.156 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1nn(C)cc1Cl ZINC000576936850 468175480 /nfs/dbraw/zinc/17/54/80/468175480.db2.gz RULMHWTUIABFHB-CQSZACIVSA-N 1 2 335.835 2.332 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nc4ccccc4c(=O)[nH]3)C2)nc1 ZINC000590005455 468203237 /nfs/dbraw/zinc/20/32/37/468203237.db2.gz BVUJDRCVSKIFNP-CQSZACIVSA-N 1 2 347.378 2.255 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nc4ccccc4c(=O)[nH]3)C2)nc1 ZINC000590005455 468203243 /nfs/dbraw/zinc/20/32/43/468203243.db2.gz BVUJDRCVSKIFNP-CQSZACIVSA-N 1 2 347.378 2.255 20 30 EEEDLO Cc1cc(C#N)cnc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000590130755 468217200 /nfs/dbraw/zinc/21/72/00/468217200.db2.gz NNXFSOFCTOHNGN-UHFFFAOYSA-N 1 2 326.425 2.281 20 30 EEEDLO C#CC[NH+]1CCN(Cn2ncn([C@H](C)c3ccccc3)c2=S)CC1 ZINC000490556315 468219761 /nfs/dbraw/zinc/21/97/61/468219761.db2.gz DVOLWOVAGWYMHW-MRXNPFEDSA-N 1 2 341.484 2.232 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(S(=O)(=O)C(C)C)cc1 ZINC000490893591 468263497 /nfs/dbraw/zinc/26/34/97/468263497.db2.gz VRKPMVWQSLBIBY-INIZCTEOSA-N 1 2 349.452 2.123 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(S(=O)(=O)C(C)C)cc1 ZINC000490893591 468263499 /nfs/dbraw/zinc/26/34/99/468263499.db2.gz VRKPMVWQSLBIBY-INIZCTEOSA-N 1 2 349.452 2.123 20 30 EEEDLO C[C@H]1C[C@]1(C#N)C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000582341612 468525171 /nfs/dbraw/zinc/52/51/71/468525171.db2.gz BQSKGFDOTFHACX-XHDPSFHLSA-N 1 2 338.333 2.299 20 30 EEEDLO Cc1oc(-c2ccccc2)nc1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000571169792 468750924 /nfs/dbraw/zinc/75/09/24/468750924.db2.gz OYHIGGDIKUYFTC-GOSISDBHSA-N 1 2 326.400 2.153 20 30 EEEDLO Cc1nc(NCc2cccc(C(=O)N([C@H](C)C#N)C3CC3)c2)cc[nH+]1 ZINC000598131791 468774297 /nfs/dbraw/zinc/77/42/97/468774297.db2.gz CYJJCWUYPPQVHL-CYBMUJFWSA-N 1 2 335.411 2.914 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Br)c(F)c1 ZINC000571690441 468823984 /nfs/dbraw/zinc/82/39/84/468823984.db2.gz ZLMMGTSOZBCIJG-ZDUSSCGKSA-N 1 2 328.185 2.162 20 30 EEEDLO COc1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)sn1 ZINC000595292208 468802545 /nfs/dbraw/zinc/80/25/45/468802545.db2.gz VUTDIEXOCIEFRF-UHFFFAOYSA-N 1 2 332.404 2.485 20 30 EEEDLO N#Cc1ccc(CCC(=O)N(CC[NH+]2CCOCC2)CC2CC2)cc1 ZINC000598343788 468837698 /nfs/dbraw/zinc/83/76/98/468837698.db2.gz XVJMJANMNVYJHI-UHFFFAOYSA-N 1 2 341.455 2.062 20 30 EEEDLO COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000595617462 468925030 /nfs/dbraw/zinc/92/50/30/468925030.db2.gz ZWPMUJQWZBLUTI-OCCSQVGLSA-N 1 2 347.440 2.266 20 30 EEEDLO COC(=O)c1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000595617462 468925031 /nfs/dbraw/zinc/92/50/31/468925031.db2.gz ZWPMUJQWZBLUTI-OCCSQVGLSA-N 1 2 347.440 2.266 20 30 EEEDLO C[C@@H](CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000610473535 468977463 /nfs/dbraw/zinc/97/74/63/468977463.db2.gz AKMOFHZFVYAKCW-MAUKXSAKSA-N 1 2 337.427 2.176 20 30 EEEDLO Cc1noc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000585801077 469039814 /nfs/dbraw/zinc/03/98/14/469039814.db2.gz HBGAFGPCCRZDKD-GXFFZTMASA-N 1 2 343.387 2.276 20 30 EEEDLO Cc1noc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000585801077 469039819 /nfs/dbraw/zinc/03/98/19/469039819.db2.gz HBGAFGPCCRZDKD-GXFFZTMASA-N 1 2 343.387 2.276 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000610846812 469087897 /nfs/dbraw/zinc/08/78/97/469087897.db2.gz KLWKEFLSHRWXSQ-QGZVFWFLSA-N 1 2 331.379 2.060 20 30 EEEDLO Cc1cc(NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c(C#N)c[nH+]1 ZINC000563018754 469138049 /nfs/dbraw/zinc/13/80/49/469138049.db2.gz IGURVHZHDHXVIA-HIFRSBDPSA-N 1 2 325.372 2.276 20 30 EEEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000563364248 469236093 /nfs/dbraw/zinc/23/60/93/469236093.db2.gz GRFGPJHNRAMBOB-UONOGXRCSA-N 1 2 333.432 2.471 20 30 EEEDLO C[C@@H](O)[C@H]1CCN(c2cc(NCCc3ccc(C#N)cc3)[nH+]cn2)C1 ZINC000596321369 469243399 /nfs/dbraw/zinc/24/33/99/469243399.db2.gz ITQOCJHXKCYKPA-PBHICJAKSA-N 1 2 337.427 2.210 20 30 EEEDLO C[C@@H](O)[C@H]1CCN(c2cc(NCCc3ccc(C#N)cc3)nc[nH+]2)C1 ZINC000596321369 469243404 /nfs/dbraw/zinc/24/34/04/469243404.db2.gz ITQOCJHXKCYKPA-PBHICJAKSA-N 1 2 337.427 2.210 20 30 EEEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1nc(C(F)(F)F)cs1 ZINC000564646702 469256091 /nfs/dbraw/zinc/25/60/91/469256091.db2.gz RRWADRLUNKCXRI-MRVPVSSYSA-N 1 2 332.351 2.375 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000615550648 469265362 /nfs/dbraw/zinc/26/53/62/469265362.db2.gz JPNGBVXBPTZDNG-KRWDZBQOSA-N 1 2 330.428 2.188 20 30 EEEDLO CC(C)[C@H]1C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000611517002 469270446 /nfs/dbraw/zinc/27/04/46/469270446.db2.gz TWCRCUWLGUJKNS-ZWKOTPCHSA-N 1 2 327.428 2.410 20 30 EEEDLO CC(C)[C@H]1C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000611517002 469270448 /nfs/dbraw/zinc/27/04/48/469270448.db2.gz TWCRCUWLGUJKNS-ZWKOTPCHSA-N 1 2 327.428 2.410 20 30 EEEDLO CC(C)[C@@H](C)NC(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551845 469278019 /nfs/dbraw/zinc/27/80/19/469278019.db2.gz VPIATOCMCGOCDI-QAPCUYQASA-N 1 2 346.450 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ZINC001028593726 681254438 /nfs/dbraw/zinc/25/44/38/681254438.db2.gz SIXZCFHQKLDPFL-HIFRSBDPSA-N 1 2 343.431 2.178 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC001028593726 681254442 /nfs/dbraw/zinc/25/44/42/681254442.db2.gz SIXZCFHQKLDPFL-HIFRSBDPSA-N 1 2 343.431 2.178 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@]2(C)C[N@H+](Cc3cnn(C)n3)C[C@]2(C)C1 ZINC000982506121 681384021 /nfs/dbraw/zinc/38/40/21/681384021.db2.gz DISIWGWVJIBLAR-QRVBRYPASA-N 1 2 345.491 2.088 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@]2(C)C[N@@H+](Cc3cnn(C)n3)C[C@]2(C)C1 ZINC000982506121 681384027 /nfs/dbraw/zinc/38/40/27/681384027.db2.gz DISIWGWVJIBLAR-QRVBRYPASA-N 1 2 345.491 2.088 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(F)cn2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973006272 681837520 /nfs/dbraw/zinc/83/75/20/681837520.db2.gz QPZBWYUDGFTLLT-INIZCTEOSA-N 1 2 341.390 2.061 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(F)cn2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973006272 681837524 /nfs/dbraw/zinc/83/75/24/681837524.db2.gz QPZBWYUDGFTLLT-INIZCTEOSA-N 1 2 341.390 2.061 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3nnc(C)s3)C2)cc1 ZINC001028730451 682025456 /nfs/dbraw/zinc/02/54/56/682025456.db2.gz IWOPBFBCCBMKQQ-HNNXBMFYSA-N 1 2 340.452 2.080 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3nnc(C)s3)C2)cc1 ZINC001028730451 682025463 /nfs/dbraw/zinc/02/54/63/682025463.db2.gz IWOPBFBCCBMKQQ-HNNXBMFYSA-N 1 2 340.452 2.080 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001018910096 682697351 /nfs/dbraw/zinc/69/73/51/682697351.db2.gz KLELWDNLADUDCY-VIFPVBQESA-N 1 2 348.781 2.476 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001025585109 683042055 /nfs/dbraw/zinc/04/20/55/683042055.db2.gz ATGLIXJLHGGHAB-KGLIPLIRSA-N 1 2 337.851 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001025585109 683042060 /nfs/dbraw/zinc/04/20/60/683042060.db2.gz ATGLIXJLHGGHAB-KGLIPLIRSA-N 1 2 337.851 2.266 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(C)CC2CCCCC2)cc1 ZINC000174115711 683214319 /nfs/dbraw/zinc/21/43/19/683214319.db2.gz OPEUWEJYINTODS-UHFFFAOYSA-N 1 2 333.432 2.371 20 30 EEEDLO O=C(c1cccnc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029189663 683428690 /nfs/dbraw/zinc/42/86/90/683428690.db2.gz IYZYJOXOPHHRPV-BGYRXZFFSA-N 1 2 331.419 2.422 20 30 EEEDLO O=C(c1cccnc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029189663 683428691 /nfs/dbraw/zinc/42/86/91/683428691.db2.gz IYZYJOXOPHHRPV-BGYRXZFFSA-N 1 2 331.419 2.422 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)C(F)F)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000992945628 683675530 /nfs/dbraw/zinc/67/55/30/683675530.db2.gz ISMBPLMHUUHIIJ-YGRLFVJLSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)C(F)F)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000992945628 683675533 /nfs/dbraw/zinc/67/55/33/683675533.db2.gz ISMBPLMHUUHIIJ-YGRLFVJLSA-N 1 2 325.334 2.432 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3sccc3C)C2)C1=O ZINC001006604215 684129198 /nfs/dbraw/zinc/12/91/98/684129198.db2.gz SOEMPCJOEZBTPM-HUUCEWRRSA-N 1 2 347.484 2.038 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3sccc3C)C2)C1=O ZINC001006604215 684129199 /nfs/dbraw/zinc/12/91/99/684129199.db2.gz SOEMPCJOEZBTPM-HUUCEWRRSA-N 1 2 347.484 2.038 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cnc(C)o2)cc1 ZINC001029416158 684407093 /nfs/dbraw/zinc/40/70/93/684407093.db2.gz BJUHNUPKTXYOCT-HDICACEKSA-N 1 2 335.407 2.453 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cnc(C)o2)cc1 ZINC001029416158 684407095 /nfs/dbraw/zinc/40/70/95/684407095.db2.gz BJUHNUPKTXYOCT-HDICACEKSA-N 1 2 335.407 2.453 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(=O)NC2CC2)CC1 ZINC001029453328 684697110 /nfs/dbraw/zinc/69/71/10/684697110.db2.gz RQMCMVHMQZCHAB-JCGIZDLHSA-N 1 2 345.487 2.075 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(=O)NC2CC2)CC1 ZINC001029453328 684697111 /nfs/dbraw/zinc/69/71/11/684697111.db2.gz RQMCMVHMQZCHAB-JCGIZDLHSA-N 1 2 345.487 2.075 20 30 EEEDLO CC(=O)c1ccc(NC(=O)[C@H](C)O[NH+]=C(N)Cc2cccnc2)cc1 ZINC000137657656 684828901 /nfs/dbraw/zinc/82/89/01/684828901.db2.gz XBQFRBWOOBSBSM-ZDUSSCGKSA-N 1 2 340.383 2.143 20 30 EEEDLO Cc1nc(C[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)c(C)o1 ZINC000974473957 684966320 /nfs/dbraw/zinc/96/63/20/684966320.db2.gz WEVXIJNBDDSEOY-MRXNPFEDSA-N 1 2 341.415 2.132 20 30 EEEDLO Cc1nc(C[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)c(C)o1 ZINC000974473957 684966323 /nfs/dbraw/zinc/96/63/23/684966323.db2.gz WEVXIJNBDDSEOY-MRXNPFEDSA-N 1 2 341.415 2.132 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccnn2C(F)F)C(C)(C)C1 ZINC000974661732 685172415 /nfs/dbraw/zinc/17/24/15/685172415.db2.gz SILGOXSUFZQEDJ-NSHDSACASA-N 1 2 332.782 2.471 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccnn2C(F)F)C(C)(C)C1 ZINC000974661732 685172418 /nfs/dbraw/zinc/17/24/18/685172418.db2.gz SILGOXSUFZQEDJ-NSHDSACASA-N 1 2 332.782 2.471 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)CC1(C)C ZINC000974677428 685211705 /nfs/dbraw/zinc/21/17/05/685211705.db2.gz DTSPTHIUXOZNDM-QGZVFWFLSA-N 1 2 341.459 2.048 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)CC1(C)C ZINC000974677428 685211708 /nfs/dbraw/zinc/21/17/08/685211708.db2.gz DTSPTHIUXOZNDM-QGZVFWFLSA-N 1 2 341.459 2.048 20 30 EEEDLO C[C@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029528474 685712007 /nfs/dbraw/zinc/71/20/07/685712007.db2.gz WDOUOLHOCRCWLS-DQEVTTJGSA-N 1 2 339.439 2.158 20 30 EEEDLO C[C@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029528474 685712015 /nfs/dbraw/zinc/71/20/15/685712015.db2.gz WDOUOLHOCRCWLS-DQEVTTJGSA-N 1 2 339.439 2.158 20 30 EEEDLO Cc1cc(C)c(C(=O)NC[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)c(C)[nH+]1 ZINC000975450975 686586964 /nfs/dbraw/zinc/58/69/64/686586964.db2.gz MUKROSWEQIRPOA-CJNGLKHVSA-N 1 2 342.443 2.135 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ncc(Cl)s2)C1 ZINC001029677090 686762301 /nfs/dbraw/zinc/76/23/01/686762301.db2.gz IRRRGBYEVZODIC-MNOVXSKESA-N 1 2 326.853 2.236 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ncc(Cl)s2)C1 ZINC001029677090 686762306 /nfs/dbraw/zinc/76/23/06/686762306.db2.gz IRRRGBYEVZODIC-MNOVXSKESA-N 1 2 326.853 2.236 20 30 EEEDLO CCc1noc([C@H](C)[N@H+](C)[C@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC001027402534 687935338 /nfs/dbraw/zinc/93/53/38/687935338.db2.gz PUEXNTJNOXVHNY-ZFWWWQNUSA-N 1 2 330.432 2.029 20 30 EEEDLO CCc1noc([C@H](C)[N@@H+](C)[C@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC001027402534 687935343 /nfs/dbraw/zinc/93/53/43/687935343.db2.gz PUEXNTJNOXVHNY-ZFWWWQNUSA-N 1 2 330.432 2.029 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]([N@H+](C)Cc2cnns2)C1 ZINC001027442249 688177059 /nfs/dbraw/zinc/17/70/59/688177059.db2.gz RJACVLISAGJCGP-CQSZACIVSA-N 1 2 345.472 2.262 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cnns2)C1 ZINC001027442249 688177062 /nfs/dbraw/zinc/17/70/62/688177062.db2.gz RJACVLISAGJCGP-CQSZACIVSA-N 1 2 345.472 2.262 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001060175884 694248406 /nfs/dbraw/zinc/24/84/06/694248406.db2.gz RLTZZSXLMZRAOK-IAGOWNOFSA-N 1 2 346.475 2.230 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC#Cc2ccc(F)cc2)no1 ZINC001027739800 694259809 /nfs/dbraw/zinc/25/98/09/694259809.db2.gz SMLLHEFDHPOCNK-QGZVFWFLSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC#Cc2ccc(F)cc2)no1 ZINC001027739800 694259812 /nfs/dbraw/zinc/25/98/12/694259812.db2.gz SMLLHEFDHPOCNK-QGZVFWFLSA-N 1 2 341.386 2.368 20 30 EEEDLO C=C(C)CCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001059855055 690305652 /nfs/dbraw/zinc/30/56/52/690305652.db2.gz VDFOEYJJQHCSDW-BZUAXINKSA-N 1 2 344.459 2.224 20 30 EEEDLO C=C(C)CCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001059855055 690305659 /nfs/dbraw/zinc/30/56/59/690305659.db2.gz VDFOEYJJQHCSDW-BZUAXINKSA-N 1 2 344.459 2.224 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)c3cc(OC)no3)CCC[C@@H]12 ZINC000990332967 692822505 /nfs/dbraw/zinc/82/25/05/692822505.db2.gz WUXVTQQCSUBXOX-IUODEOHRSA-N 1 2 325.796 2.163 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)c3cc(OC)no3)CCC[C@@H]12 ZINC000990332967 692822509 /nfs/dbraw/zinc/82/25/09/692822509.db2.gz WUXVTQQCSUBXOX-IUODEOHRSA-N 1 2 325.796 2.163 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1C#N ZINC001038133210 693613488 /nfs/dbraw/zinc/61/34/88/693613488.db2.gz MDBSPSPUFDJAQN-IMBTUZDBSA-N 1 2 339.439 2.303 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1C#N ZINC001038133210 693613490 /nfs/dbraw/zinc/61/34/90/693613490.db2.gz MDBSPSPUFDJAQN-IMBTUZDBSA-N 1 2 339.439 2.303 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2oncc2C)C1 ZINC001027636187 693698858 /nfs/dbraw/zinc/69/88/58/693698858.db2.gz ZDCMYDJRRNFBII-GFCCVEGCSA-N 1 2 342.237 2.428 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)c2oncc2C)C1 ZINC001027636187 693698862 /nfs/dbraw/zinc/69/88/62/693698862.db2.gz 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1178205408 /nfs/dbraw/zinc/20/54/08/1178205408.db2.gz MQNCZJCPDMQKCS-UHFFFAOYSA-N 1 2 335.407 2.355 20 30 EEEDLO C[N@@H+](CCNC(=O)c1ccc2c(c1)CCO2)Cc1ccccc1C#N ZINC001480916092 1178205414 /nfs/dbraw/zinc/20/54/14/1178205414.db2.gz MQNCZJCPDMQKCS-UHFFFAOYSA-N 1 2 335.407 2.355 20 30 EEEDLO C=CC[C@H](C)C(=O)N1CC[C@@H]2C[C@@]21C(=O)Nc1cccc2[nH+]ccn21 ZINC001268907728 1183809574 /nfs/dbraw/zinc/80/95/74/1183809574.db2.gz RRQMGWFGGRQTSF-KSMMKXTCSA-N 1 2 338.411 2.476 20 30 EEEDLO C=C(C)CN1CC[C@@]2(CCCN(C(=O)[C@@H](C)n3cc[nH+]c3)CC2)C1=O ZINC001269157859 1184012860 /nfs/dbraw/zinc/01/28/60/1184012860.db2.gz ILLAGTBXRTWIIR-APWZRJJASA-N 1 2 344.459 2.251 20 30 EEEDLO CCCCCCCCC(=O)N1C[C@@H](C(N)=O)[C@H](c2cn(C)c[nH+]2)C1 ZINC001269449879 1184273816 /nfs/dbraw/zinc/27/38/16/1184273816.db2.gz PPQOKAWTJBZHLZ-HUUCEWRRSA-N 1 2 334.464 2.198 20 30 EEEDLO N#Cc1ccc2c(C(=O)N3CC4(C3)C[NH+](Cc3ccc[nH]3)C4)c[nH]c2c1 ZINC001270299755 1184999522 /nfs/dbraw/zinc/99/95/22/1184999522.db2.gz 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/nfs/dbraw/zinc/15/90/44/1224159044.db2.gz NUJJDGOWUAROJR-UHFFFAOYSA-N 1 2 340.427 2.450 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033430813 1194566648 /nfs/dbraw/zinc/56/66/48/1194566648.db2.gz BSLCXRDKSZNSLV-QBIMZIAESA-N 1 2 345.418 2.155 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033430813 1194566653 /nfs/dbraw/zinc/56/66/53/1194566653.db2.gz BSLCXRDKSZNSLV-QBIMZIAESA-N 1 2 345.418 2.155 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)nc(C)n1 ZINC001033499484 1194650075 /nfs/dbraw/zinc/65/00/75/1194650075.db2.gz YHHQUTSNSFIJDS-SFHVURJKSA-N 1 2 349.438 2.312 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)nc(C)n1 ZINC001033499484 1194650077 /nfs/dbraw/zinc/65/00/77/1194650077.db2.gz YHHQUTSNSFIJDS-SFHVURJKSA-N 1 2 349.438 2.312 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC001033665921 1195027676 /nfs/dbraw/zinc/02/76/76/1195027676.db2.gz 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ZINC001033954886 1195555534 /nfs/dbraw/zinc/55/55/34/1195555534.db2.gz HTOSMWDKSLRWEV-KRWDZBQOSA-N 1 2 338.411 2.096 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc3nnn(C)c32)C1 ZINC001034056921 1195689389 /nfs/dbraw/zinc/68/93/89/1195689389.db2.gz ORUQNWUDRHYSPJ-ZDUSSCGKSA-N 1 2 347.850 2.257 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc3nnn(C)c32)C1 ZINC001034056921 1195689392 /nfs/dbraw/zinc/68/93/92/1195689392.db2.gz ORUQNWUDRHYSPJ-ZDUSSCGKSA-N 1 2 347.850 2.257 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001034046285 1195697783 /nfs/dbraw/zinc/69/77/83/1195697783.db2.gz ROYBDIBWIZXBKR-DZGCQCFKSA-N 1 2 336.867 2.190 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001034046285 1195697786 /nfs/dbraw/zinc/69/77/86/1195697786.db2.gz ROYBDIBWIZXBKR-DZGCQCFKSA-N 1 2 336.867 2.190 20 30 EEEDLO C#CCC[N@H+]1CCCC[C@@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001034342030 1196123997 /nfs/dbraw/zinc/12/39/97/1196123997.db2.gz 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C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc(=O)[nH]2)C1 ZINC001273136907 1196676239 /nfs/dbraw/zinc/67/62/39/1196676239.db2.gz YUXQGBPPKBCPIL-IYBDPMFKSA-N 1 2 327.428 2.319 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1cnc2ccccc21 ZINC001018138022 1224379818 /nfs/dbraw/zinc/37/98/18/1224379818.db2.gz XCCHBMXUQJVLGD-ZACQAIPSSA-N 1 2 336.439 2.296 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1cnc2ccccc21 ZINC001018138022 1224379826 /nfs/dbraw/zinc/37/98/26/1224379826.db2.gz XCCHBMXUQJVLGD-ZACQAIPSSA-N 1 2 336.439 2.296 20 30 EEEDLO C=C(C)CN1CC2(C[NH+](CCCc3ccc(F)cc3)C2)OCC1=O ZINC001273431100 1198836347 /nfs/dbraw/zinc/83/63/47/1198836347.db2.gz BJNHSUMOLBTWLJ-UHFFFAOYSA-N 1 2 332.419 2.248 20 30 EEEDLO CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132034613 1199220094 /nfs/dbraw/zinc/22/00/94/1199220094.db2.gz SUPKSYNZIGATMM-HOTGVXAUSA-N 1 2 349.519 2.310 20 30 EEEDLO CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132034613 1199220095 /nfs/dbraw/zinc/22/00/95/1199220095.db2.gz SUPKSYNZIGATMM-HOTGVXAUSA-N 1 2 349.519 2.310 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC=C(Cl)Cl)C1 ZINC001132029382 1199232183 /nfs/dbraw/zinc/23/21/83/1199232183.db2.gz LJYJSEZFPNGKNY-OLZOCXBDSA-N 1 2 333.259 2.314 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC=C(Cl)Cl)C1 ZINC001132029382 1199232185 /nfs/dbraw/zinc/23/21/85/1199232185.db2.gz LJYJSEZFPNGKNY-OLZOCXBDSA-N 1 2 333.259 2.314 20 30 EEEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(P(C)(C)=O)cc1 ZINC001018298649 1224581048 /nfs/dbraw/zinc/58/10/48/1224581048.db2.gz KOMKGTIZCDZOAS-CALCHBBNSA-N 1 2 344.395 2.247 20 30 EEEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(P(C)(C)=O)cc1 ZINC001018298649 1224581050 /nfs/dbraw/zinc/58/10/50/1224581050.db2.gz KOMKGTIZCDZOAS-CALCHBBNSA-N 1 2 344.395 2.247 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC000878200243 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2.224 20 30 EEEDLO C#C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000868273026 1201780543 /nfs/dbraw/zinc/78/05/43/1201780543.db2.gz MKGSCMBCVVXORF-MJSXRHKHSA-N 1 2 336.794 2.158 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000828098446 1202228880 /nfs/dbraw/zinc/22/88/80/1202228880.db2.gz LTRCBUYUSIOZSO-ROUUACIJSA-N 1 2 348.491 2.306 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000826563435 1204261612 /nfs/dbraw/zinc/26/16/12/1204261612.db2.gz FZUVCEJTOOBTQR-IEBWSBKVSA-N 1 2 346.471 2.293 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000826563435 1204261613 /nfs/dbraw/zinc/26/16/13/1204261613.db2.gz FZUVCEJTOOBTQR-IEBWSBKVSA-N 1 2 346.471 2.293 20 30 EEEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(N)ccnc1F ZINC001274117018 1204382870 /nfs/dbraw/zinc/38/28/70/1204382870.db2.gz FFFRQBJHVIKHMS-GOSISDBHSA-N 1 2 345.422 2.064 20 30 EEEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(N)ccnc1F ZINC001274117018 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327.428 2.091 20 30 EEEDLO N#Cc1cccc(CN2C[C@]3(CC2=O)CCCC[N@@H+]3Cc2c[nH]cn2)c1 ZINC001275730189 1205501993 /nfs/dbraw/zinc/50/19/93/1205501993.db2.gz KNOZUDQKQHAUPA-HXUWFJFHSA-N 1 2 349.438 2.439 20 30 EEEDLO N#Cc1cccc(CN2C[C@]3(CC2=O)CCCC[N@H+]3Cc2c[nH]cn2)c1 ZINC001275730189 1205501994 /nfs/dbraw/zinc/50/19/94/1205501994.db2.gz KNOZUDQKQHAUPA-HXUWFJFHSA-N 1 2 349.438 2.439 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)nc1C1CC1)C2 ZINC001095477974 1205798399 /nfs/dbraw/zinc/79/83/99/1205798399.db2.gz FBFMTLYSZYQEJP-SNPRPXQTSA-N 1 2 334.851 2.385 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)nc1C1CC1)C2 ZINC001095477974 1205798400 /nfs/dbraw/zinc/79/84/00/1205798400.db2.gz FBFMTLYSZYQEJP-SNPRPXQTSA-N 1 2 334.851 2.385 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095580828 1205880740 /nfs/dbraw/zinc/88/07/40/1205880740.db2.gz TYLYTIFCSRVZSH-CQSZACIVSA-N 1 2 332.448 2.196 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cccc3nccn32)C1 ZINC001015265968 1225007795 /nfs/dbraw/zinc/00/77/95/1225007795.db2.gz XIXKCOMHVKWUEU-QGZVFWFLSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cccc3nccn32)C1 ZINC001015265968 1225007803 /nfs/dbraw/zinc/00/78/03/1225007803.db2.gz XIXKCOMHVKWUEU-QGZVFWFLSA-N 1 2 345.406 2.210 20 30 EEEDLO C=C1CCC(C(=O)NC2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC000947124712 1207937712 /nfs/dbraw/zinc/93/77/12/1207937712.db2.gz UWNLDJFAQAVTGN-UHFFFAOYSA-N 1 2 344.459 2.196 20 30 EEEDLO C=C1CCC(C(=O)NC2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC000947124712 1207937714 /nfs/dbraw/zinc/93/77/14/1207937714.db2.gz UWNLDJFAQAVTGN-UHFFFAOYSA-N 1 2 344.459 2.196 20 30 EEEDLO C[N@@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000778807859 1208360083 /nfs/dbraw/zinc/36/00/83/1208360083.db2.gz MWESRBIADKBGCD-SJORKVTESA-N 1 2 341.411 2.081 20 30 EEEDLO C[N@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000778807859 1208360087 /nfs/dbraw/zinc/36/00/87/1208360087.db2.gz MWESRBIADKBGCD-SJORKVTESA-N 1 2 341.411 2.081 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C)on3)[C@H](C)C2)nc1 ZINC000947936988 1208784391 /nfs/dbraw/zinc/78/43/91/1208784391.db2.gz ZLDRXSASSDCFGH-CZUORRHYSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C)on3)[C@H](C)C2)nc1 ZINC000947936988 1208784395 /nfs/dbraw/zinc/78/43/95/1208784395.db2.gz ZLDRXSASSDCFGH-CZUORRHYSA-N 1 2 338.411 2.142 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ncnn3CC)CC2)C1 ZINC000948754279 1209349707 /nfs/dbraw/zinc/34/97/07/1209349707.db2.gz VFAYLIPQUZSPMB-MRXNPFEDSA-N 1 2 345.491 2.467 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ncnn3CC)CC2)C1 ZINC000948754279 1209349708 /nfs/dbraw/zinc/34/97/08/1209349708.db2.gz VFAYLIPQUZSPMB-MRXNPFEDSA-N 1 2 345.491 2.467 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1csc(C)n1 ZINC000948950589 1209469772 /nfs/dbraw/zinc/46/97/72/1209469772.db2.gz LRVYTWIRVAVSAL-KRWDZBQOSA-N 1 2 325.437 2.414 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1csc(C)n1 ZINC000948950589 1209469775 /nfs/dbraw/zinc/46/97/75/1209469775.db2.gz LRVYTWIRVAVSAL-KRWDZBQOSA-N 1 2 325.437 2.414 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc2nccn2c1 ZINC000948978428 1209485285 /nfs/dbraw/zinc/48/52/85/1209485285.db2.gz MDNUAKFGTQBULQ-LJQANCHMSA-N 1 2 344.418 2.297 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc2nccn2c1 ZINC000948978428 1209485286 /nfs/dbraw/zinc/48/52/86/1209485286.db2.gz MDNUAKFGTQBULQ-LJQANCHMSA-N 1 2 344.418 2.297 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(N(C)C)ccn1 ZINC000948984967 1209489216 /nfs/dbraw/zinc/48/92/16/1209489216.db2.gz ASFTXQAPFLHVIC-HXUWFJFHSA-N 1 2 348.450 2.110 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(N(C)C)ccn1 ZINC000948984967 1209489219 /nfs/dbraw/zinc/48/92/19/1209489219.db2.gz ASFTXQAPFLHVIC-HXUWFJFHSA-N 1 2 348.450 2.110 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(C)cc(C)c3)CC2)C1 ZINC000949517970 1209725427 /nfs/dbraw/zinc/72/54/27/1209725427.db2.gz GKCUGALSKNZSHC-UHFFFAOYSA-N 1 2 326.440 2.244 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc(C)cc(C)c3)CC2)C1 ZINC000949517970 1209725429 /nfs/dbraw/zinc/72/54/29/1209725429.db2.gz GKCUGALSKNZSHC-UHFFFAOYSA-N 1 2 326.440 2.244 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC000950786407 1210424548 /nfs/dbraw/zinc/42/45/48/1210424548.db2.gz CRTXKJRTVPKTTJ-UHFFFAOYSA-N 1 2 329.444 2.045 20 30 EEEDLO CCN(CCCNC(=O)c1cc(C#N)c[nH]1)c1nc(C)[nH+]c(C)c1C ZINC001095852343 1211503709 /nfs/dbraw/zinc/50/37/09/1211503709.db2.gz DBXPGVHJKSESAQ-UHFFFAOYSA-N 1 2 340.431 2.248 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000953385334 1211789999 /nfs/dbraw/zinc/78/99/99/1211789999.db2.gz RAUZGVOUOBOUOA-LSDHHAIUSA-N 1 2 344.459 2.004 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)cs3)C2)cc1 ZINC001015482995 1225316214 /nfs/dbraw/zinc/31/62/14/1225316214.db2.gz SYJGFHGCLPLRFI-MRXNPFEDSA-N 1 2 325.437 2.437 20 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1214002358 /nfs/dbraw/zinc/00/23/58/1214002358.db2.gz AIBKILWXRNAVKQ-ZFWWWQNUSA-N 1 2 332.448 2.415 20 30 EEEDLO Cc1cnn(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095886520 1214018431 /nfs/dbraw/zinc/01/84/31/1214018431.db2.gz XEVKKXXADOHUMK-SQNIBIBYSA-N 1 2 349.438 2.136 20 30 EEEDLO Cc1cnn(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095886520 1214018436 /nfs/dbraw/zinc/01/84/36/1214018436.db2.gz XEVKKXXADOHUMK-SQNIBIBYSA-N 1 2 349.438 2.136 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000956571807 1214091429 /nfs/dbraw/zinc/09/14/29/1214091429.db2.gz UYQNWAAWCOHFCQ-PXNSSMCTSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC3CC3)C2)CC1 ZINC000956606945 1214129155 /nfs/dbraw/zinc/12/91/55/1214129155.db2.gz WREGORMBXINSCX-FXAWDEMLSA-N 1 2 347.503 2.134 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)c1n[nH]cc1F ZINC001015664874 1225526010 /nfs/dbraw/zinc/52/60/10/1225526010.db2.gz CQJMMJLPVHRKGD-CQSZACIVSA-N 1 2 346.793 2.058 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)c1n[nH]cc1F ZINC001015664874 1225526015 /nfs/dbraw/zinc/52/60/15/1225526015.db2.gz CQJMMJLPVHRKGD-CQSZACIVSA-N 1 2 346.793 2.058 20 30 EEEDLO C=CCCC(=O)N1C[C@H](CNc2ncnc3c2C[N@H+](C)CC3)C[C@H]1C ZINC001114674591 1214791194 /nfs/dbraw/zinc/79/11/94/1214791194.db2.gz MMWPXAJPPFWQQS-CABCVRRESA-N 1 2 343.475 2.080 20 30 EEEDLO C=CCCC(=O)N1C[C@H](CNc2ncnc3c2C[N@@H+](C)CC3)C[C@H]1C ZINC001114674591 1214791197 /nfs/dbraw/zinc/79/11/97/1214791197.db2.gz MMWPXAJPPFWQQS-CABCVRRESA-N 1 2 343.475 2.080 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001114711669 1215064222 /nfs/dbraw/zinc/06/42/22/1215064222.db2.gz YYDHVVJUAPDSGK-QWHZDKJVSA-N 1 2 327.428 2.292 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001114711669 1215064225 /nfs/dbraw/zinc/06/42/25/1215064225.db2.gz YYDHVVJUAPDSGK-QWHZDKJVSA-N 1 2 327.428 2.292 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3N(C)C)CC2)cn1 ZINC000957379011 1215088635 /nfs/dbraw/zinc/08/86/35/1215088635.db2.gz VDKUTUNVFJOKBG-UHFFFAOYSA-N 1 2 348.450 2.087 20 30 EEEDLO Cc1nc(NC[C@H]2C[C@H](NC(=O)[C@@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001114748947 1215194614 /nfs/dbraw/zinc/19/46/14/1215194614.db2.gz OEYPNLUZXZNHIK-UBHSHLNASA-N 1 2 327.432 2.130 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N2CCC3(CCN(CC#N)CC3)CC2)c[nH+]1 ZINC000957566773 1215216615 /nfs/dbraw/zinc/21/66/15/1215216615.db2.gz XBQMTYIKHCHESF-UHFFFAOYSA-N 1 2 343.475 2.155 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)[nH]1 ZINC001015721350 1225593590 /nfs/dbraw/zinc/59/35/90/1225593590.db2.gz HBSKUBWCWPVBDA-OAHLLOKOSA-N 1 2 341.390 2.042 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)[nH]1 ZINC001015721350 1225593594 /nfs/dbraw/zinc/59/35/94/1225593594.db2.gz HBSKUBWCWPVBDA-OAHLLOKOSA-N 1 2 341.390 2.042 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001114807040 1215410142 /nfs/dbraw/zinc/41/01/42/1215410142.db2.gz LRONICSXVPNJMS-MGPQQGTHSA-N 1 2 342.447 2.272 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001015726081 1225598898 /nfs/dbraw/zinc/59/88/98/1225598898.db2.gz JFGJLZUBEUPXBQ-FMKPAKJESA-N 1 2 333.432 2.080 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001015726081 1225598901 /nfs/dbraw/zinc/59/89/01/1225598901.db2.gz JFGJLZUBEUPXBQ-FMKPAKJESA-N 1 2 333.432 2.080 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(Cl)cs2)C1 ZINC000958453995 1215723633 /nfs/dbraw/zinc/72/36/33/1215723633.db2.gz SACACAOONNRQAT-KOLCDFICSA-N 1 2 335.256 2.177 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(Cl)cs2)C1 ZINC000958453995 1215723635 /nfs/dbraw/zinc/72/36/35/1215723635.db2.gz SACACAOONNRQAT-KOLCDFICSA-N 1 2 335.256 2.177 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1oc(C)cc1C ZINC000958508443 1215746257 /nfs/dbraw/zinc/74/62/57/1215746257.db2.gz HIHUPUHNBDZZMH-ITGUQSILSA-N 1 2 339.233 2.465 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1oc(C)cc1C ZINC000958508443 1215746258 /nfs/dbraw/zinc/74/62/58/1215746258.db2.gz HIHUPUHNBDZZMH-ITGUQSILSA-N 1 2 339.233 2.465 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(Cl)s2)C1 ZINC000958645818 1215812039 /nfs/dbraw/zinc/81/20/39/1215812039.db2.gz WSUQTJVXSONWAL-UWVGGRQHSA-N 1 2 335.256 2.177 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc(Cl)s2)C1 ZINC000958645818 1215812043 /nfs/dbraw/zinc/81/20/43/1215812043.db2.gz WSUQTJVXSONWAL-UWVGGRQHSA-N 1 2 335.256 2.177 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nc(C2CCCC2)no1 ZINC000959927065 1216236249 /nfs/dbraw/zinc/23/62/49/1216236249.db2.gz ZEELDUHXRPQGKQ-ZFWWWQNUSA-N 1 2 345.447 2.358 20 30 EEEDLO N#Cc1sccc1N1CC[NH+](C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001413022714 1216747255 /nfs/dbraw/zinc/74/72/55/1216747255.db2.gz DPZOPVWQCAXQOE-KRWDZBQOSA-N 1 2 338.436 2.347 20 30 EEEDLO C[N@@H+](Cc1ncc(C2CC2)o1)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000960628526 1216748677 /nfs/dbraw/zinc/74/86/77/1216748677.db2.gz WIOJVJMGRXQYRW-MRXNPFEDSA-N 1 2 327.428 2.388 20 30 EEEDLO C[N@H+](Cc1ncc(C2CC2)o1)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000960628526 1216748681 /nfs/dbraw/zinc/74/86/81/1216748681.db2.gz WIOJVJMGRXQYRW-MRXNPFEDSA-N 1 2 327.428 2.388 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)c4nnc(CC)[nH]4)C[C@H]32)CC1 ZINC000961685500 1217274442 /nfs/dbraw/zinc/27/44/42/1217274442.db2.gz GKEZQFUTGLNAMZ-UTXMOHQDSA-N 1 2 343.475 2.221 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)c4nnc(CC)[nH]4)C[C@H]32)CC1 ZINC000961685500 1217274446 /nfs/dbraw/zinc/27/44/46/1217274446.db2.gz GKEZQFUTGLNAMZ-UTXMOHQDSA-N 1 2 343.475 2.221 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3n2)C1 ZINC001015841817 1225733626 /nfs/dbraw/zinc/73/36/26/1225733626.db2.gz BCTRPASGBCHMOV-CQSZACIVSA-N 1 2 332.835 2.128 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3n2)C1 ZINC001015841817 1225733627 /nfs/dbraw/zinc/73/36/27/1225733627.db2.gz BCTRPASGBCHMOV-CQSZACIVSA-N 1 2 332.835 2.128 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC000963445837 1217635591 /nfs/dbraw/zinc/63/55/91/1217635591.db2.gz QRDDODQZGSDHLQ-HOTGVXAUSA-N 1 2 344.459 2.077 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(C)c(C)o3)C[C@H]21 ZINC000962413136 1217670325 /nfs/dbraw/zinc/67/03/25/1217670325.db2.gz FRSTUVVKDPMPKW-WGMWDUQUSA-N 1 2 349.434 2.062 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(C)c(C)o3)C[C@H]21 ZINC000962413136 1217670329 /nfs/dbraw/zinc/67/03/29/1217670329.db2.gz FRSTUVVKDPMPKW-WGMWDUQUSA-N 1 2 349.434 2.062 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)c1cocn1 ZINC000965564023 1219147651 /nfs/dbraw/zinc/14/76/51/1219147651.db2.gz XTFYLLOITBAZKQ-WBMJQRKESA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)c1cocn1 ZINC000965564023 1219147653 /nfs/dbraw/zinc/14/76/53/1219147653.db2.gz XTFYLLOITBAZKQ-WBMJQRKESA-N 1 2 342.374 2.326 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@H](C)[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)c(C)o1 ZINC000965850356 1219289559 /nfs/dbraw/zinc/28/95/59/1219289559.db2.gz BZABMAYMRANSJU-ZBEGNZNMSA-N 1 2 341.415 2.132 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@H](C)[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)c(C)o1 ZINC000965850356 1219289562 /nfs/dbraw/zinc/28/95/62/1219289562.db2.gz BZABMAYMRANSJU-ZBEGNZNMSA-N 1 2 341.415 2.132 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c(C)o1 ZINC000965911463 1219349628 /nfs/dbraw/zinc/34/96/28/1219349628.db2.gz TZYVGNCOKCENIP-BDJLRTHQSA-N 1 2 341.415 2.132 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c(C)o1 ZINC000965911463 1219349633 /nfs/dbraw/zinc/34/96/33/1219349633.db2.gz TZYVGNCOKCENIP-BDJLRTHQSA-N 1 2 341.415 2.132 20 30 EEEDLO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1cccnc1 ZINC001016015869 1225959921 /nfs/dbraw/zinc/95/99/21/1225959921.db2.gz IGARCTOZLJAWCB-BEFAXECRSA-N 1 2 334.423 2.447 20 30 EEEDLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1)c1cccnc1 ZINC001016015869 1225959925 /nfs/dbraw/zinc/95/99/25/1225959925.db2.gz IGARCTOZLJAWCB-BEFAXECRSA-N 1 2 334.423 2.447 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3ncn(C)c3n2)C1 ZINC000968327883 1221212041 /nfs/dbraw/zinc/21/20/41/1221212041.db2.gz UFWSMOMERAEOPZ-ABAIWWIYSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3ncn(C)c3n2)C1 ZINC000968327883 1221212044 /nfs/dbraw/zinc/21/20/44/1221212044.db2.gz UFWSMOMERAEOPZ-ABAIWWIYSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC000968797848 1221579188 /nfs/dbraw/zinc/57/91/88/1221579188.db2.gz DSQXOWNTXHCAPH-JOYOIKCWSA-N 1 2 326.828 2.408 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2csnn2)C1 ZINC000968918193 1221669384 /nfs/dbraw/zinc/66/93/84/1221669384.db2.gz VAHMWSYORRQQMV-QWHCGFSZSA-N 1 2 331.445 2.091 20 30 EEEDLO COc1cccnc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001016093194 1226066980 /nfs/dbraw/zinc/06/69/80/1226066980.db2.gz NQRBXOODNMCWBR-GFCCVEGCSA-N 1 2 342.424 2.028 20 30 EEEDLO COc1cccnc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001016093194 1226066986 /nfs/dbraw/zinc/06/69/86/1226066986.db2.gz NQRBXOODNMCWBR-GFCCVEGCSA-N 1 2 342.424 2.028 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)no1 ZINC001006645562 1221877236 /nfs/dbraw/zinc/87/72/36/1221877236.db2.gz QJFDPUPEXOAFKR-KRWDZBQOSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)no1 ZINC001006645562 1221877240 /nfs/dbraw/zinc/87/72/40/1221877240.db2.gz QJFDPUPEXOAFKR-KRWDZBQOSA-N 1 2 341.386 2.368 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3cocn3)C2)cc1F ZINC001006942269 1222025436 /nfs/dbraw/zinc/02/54/36/1222025436.db2.gz YIOXSJKTQQGTES-AWEZNQCLSA-N 1 2 328.347 2.080 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3cocn3)C2)cc1F ZINC001006942269 1222025437 /nfs/dbraw/zinc/02/54/37/1222025437.db2.gz YIOXSJKTQQGTES-AWEZNQCLSA-N 1 2 328.347 2.080 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001007024297 1222065065 /nfs/dbraw/zinc/06/50/65/1222065065.db2.gz FRILGGUQBZAZJM-INIZCTEOSA-N 1 2 336.395 2.053 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001007024297 1222065068 /nfs/dbraw/zinc/06/50/68/1222065068.db2.gz FRILGGUQBZAZJM-INIZCTEOSA-N 1 2 336.395 2.053 20 30 EEEDLO Cn1ccc(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001007091948 1222090600 /nfs/dbraw/zinc/09/06/00/1222090600.db2.gz NJIPIDUAKMUHDE-IBGZPJMESA-N 1 2 339.414 2.410 20 30 EEEDLO Cn1ccc(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001007091948 1222090604 /nfs/dbraw/zinc/09/06/04/1222090604.db2.gz NJIPIDUAKMUHDE-IBGZPJMESA-N 1 2 339.414 2.410 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](Cc2ccns2)C1 ZINC001016114929 1226097790 /nfs/dbraw/zinc/09/77/90/1226097790.db2.gz UUZOJLONOYVCHQ-MRXNPFEDSA-N 1 2 325.437 2.058 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001016114929 1226097796 /nfs/dbraw/zinc/09/77/96/1226097796.db2.gz UUZOJLONOYVCHQ-MRXNPFEDSA-N 1 2 325.437 2.058 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2nn(C)c3ccccc23)C1 ZINC001007346172 1222183935 /nfs/dbraw/zinc/18/39/35/1222183935.db2.gz UTENLYIYOSHFDL-AWEZNQCLSA-N 1 2 346.862 2.449 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2nn(C)c3ccccc23)C1 ZINC001007346172 1222183938 /nfs/dbraw/zinc/18/39/38/1222183938.db2.gz UTENLYIYOSHFDL-AWEZNQCLSA-N 1 2 346.862 2.449 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@@H+](Cc2snnc2C)C1 ZINC001007503985 1222265020 /nfs/dbraw/zinc/26/50/20/1222265020.db2.gz UCIWZIIEYYHDAY-AWEZNQCLSA-N 1 2 345.472 2.228 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@H+](Cc2snnc2C)C1 ZINC001007503985 1222265023 /nfs/dbraw/zinc/26/50/23/1222265023.db2.gz UCIWZIIEYYHDAY-AWEZNQCLSA-N 1 2 345.472 2.228 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC001007977200 1222542414 /nfs/dbraw/zinc/54/24/14/1222542414.db2.gz ISGKCEDZDNFPTM-INIZCTEOSA-N 1 2 326.375 2.420 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC001007977200 1222542416 /nfs/dbraw/zinc/54/24/16/1222542416.db2.gz ISGKCEDZDNFPTM-INIZCTEOSA-N 1 2 326.375 2.420 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001008122877 1222635292 /nfs/dbraw/zinc/63/52/92/1222635292.db2.gz NQKUWWMFGFENJV-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001008122877 1222635294 /nfs/dbraw/zinc/63/52/94/1222635294.db2.gz NQKUWWMFGFENJV-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)Cc3cnoc3)C2)ccc1F ZINC001008284386 1222736750 /nfs/dbraw/zinc/73/67/50/1222736750.db2.gz PLTYYWHJBQQNLY-INIZCTEOSA-N 1 2 342.374 2.009 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)Cc3cnoc3)C2)ccc1F ZINC001008284386 1222736751 /nfs/dbraw/zinc/73/67/51/1222736751.db2.gz PLTYYWHJBQQNLY-INIZCTEOSA-N 1 2 342.374 2.009 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3ccnc(OC)n3)C2)CC1 ZINC001008411431 1222817560 /nfs/dbraw/zinc/81/75/60/1222817560.db2.gz MNYYPFRTSSFYPV-INIZCTEOSA-N 1 2 344.459 2.312 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3ccnc(OC)n3)C2)CC1 ZINC001008411431 1222817566 /nfs/dbraw/zinc/81/75/66/1222817566.db2.gz MNYYPFRTSSFYPV-INIZCTEOSA-N 1 2 344.459 2.312 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCC[C@@H](C)C3)C2)C1 ZINC001008464316 1222859509 /nfs/dbraw/zinc/85/95/09/1222859509.db2.gz MMWQHSYUAQSRMS-WBVHZDCISA-N 1 2 347.503 2.182 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC[C@@H](C)C3)C2)C1 ZINC001008464316 1222859514 /nfs/dbraw/zinc/85/95/14/1222859514.db2.gz MMWQHSYUAQSRMS-WBVHZDCISA-N 1 2 347.503 2.182 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)c3cnc(C)cn3)C2)c1 ZINC001008470673 1222865290 /nfs/dbraw/zinc/86/52/90/1222865290.db2.gz VEAQRKMXTSDJQR-CRAIPNDOSA-N 1 2 349.438 2.117 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)c3cnc(C)cn3)C2)c1 ZINC001008470673 1222865297 /nfs/dbraw/zinc/86/52/97/1222865297.db2.gz VEAQRKMXTSDJQR-CRAIPNDOSA-N 1 2 349.438 2.117 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001009737535 1223350270 /nfs/dbraw/zinc/35/02/70/1223350270.db2.gz TWRIWLPGQIGLTI-SWLSCSKDSA-N 1 2 338.883 2.474 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001009737535 1223350273 /nfs/dbraw/zinc/35/02/73/1223350273.db2.gz TWRIWLPGQIGLTI-SWLSCSKDSA-N 1 2 338.883 2.474 20 30 EEEDLO CCc1ocnc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010404264 1223703696 /nfs/dbraw/zinc/70/36/96/1223703696.db2.gz HSVXFKPUEKUDKD-AWEZNQCLSA-N 1 2 342.374 2.252 20 30 EEEDLO CCc1ocnc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010404264 1223703698 /nfs/dbraw/zinc/70/36/98/1223703698.db2.gz HSVXFKPUEKUDKD-AWEZNQCLSA-N 1 2 342.374 2.252 20 30 EEEDLO CCc1ocnc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010405898 1223706031 /nfs/dbraw/zinc/70/60/31/1223706031.db2.gz XRDSJCVZAPHODZ-AWEZNQCLSA-N 1 2 342.374 2.252 20 30 EEEDLO CCc1ocnc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010405898 1223706033 /nfs/dbraw/zinc/70/60/33/1223706033.db2.gz XRDSJCVZAPHODZ-AWEZNQCLSA-N 1 2 342.374 2.252 20 30 EEEDLO COc1ccc(F)cc1C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010480229 1223740918 /nfs/dbraw/zinc/74/09/18/1223740918.db2.gz SEVFZQZRSPTRSB-HNNXBMFYSA-N 1 2 342.374 2.038 20 30 EEEDLO COc1ccc(F)cc1C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010480229 1223740921 /nfs/dbraw/zinc/74/09/21/1223740921.db2.gz SEVFZQZRSPTRSB-HNNXBMFYSA-N 1 2 342.374 2.038 20 30 EEEDLO Cc1cccnc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010481291 1223741166 /nfs/dbraw/zinc/74/11/66/1223741166.db2.gz GFSWMNWJSISPKW-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cccnc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010481291 1223741170 /nfs/dbraw/zinc/74/11/70/1223741170.db2.gz GFSWMNWJSISPKW-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]([NH2+]Cc2nc(CC)no2)[C@@H](C)C1 ZINC001054681629 1248854665 /nfs/dbraw/zinc/85/46/65/1248854665.db2.gz RXWTVONWYCVAFL-JQWIXIFHSA-N 1 2 340.855 2.347 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nnc(CC)o3)C2)cc1 ZINC001019224167 1228892808 /nfs/dbraw/zinc/89/28/08/1228892808.db2.gz FGFNGTRQDNMZRI-BBRMVZONSA-N 1 2 338.411 2.179 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(COC)no2)C1 ZINC001019233125 1228900687 /nfs/dbraw/zinc/90/06/87/1228900687.db2.gz FFAIBNWGSHIVOL-STQMWFEESA-N 1 2 336.436 2.070 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CCCc2n[nH]cc21 ZINC001038247506 1229702238 /nfs/dbraw/zinc/70/22/38/1229702238.db2.gz UVCWFUOKLYWZDD-QZTJIDSGSA-N 1 2 348.450 2.072 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CCCc2n[nH]cc21 ZINC001038247506 1229702240 /nfs/dbraw/zinc/70/22/40/1229702240.db2.gz UVCWFUOKLYWZDD-QZTJIDSGSA-N 1 2 348.450 2.072 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1oc(CCC)nc1C ZINC001038704031 1229986074 /nfs/dbraw/zinc/98/60/74/1229986074.db2.gz CLJMUTWPQOQRMX-OAGGEKHMSA-N 1 2 347.459 2.217 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1oc(CCC)nc1C ZINC001038704031 1229986075 /nfs/dbraw/zinc/98/60/75/1229986075.db2.gz CLJMUTWPQOQRMX-OAGGEKHMSA-N 1 2 347.459 2.217 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]2[C@@H](C)c2cccc(F)c2)nn1 ZINC001038783528 1230053416 /nfs/dbraw/zinc/05/34/16/1230053416.db2.gz PWEKSLSOYPKVLY-BBRMVZONSA-N 1 2 343.406 2.169 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H](C)c2cccc(F)c2)nn1 ZINC001038783528 1230053418 /nfs/dbraw/zinc/05/34/18/1230053418.db2.gz PWEKSLSOYPKVLY-BBRMVZONSA-N 1 2 343.406 2.169 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(Cl)cc2)nn1 ZINC001038789857 1230058537 /nfs/dbraw/zinc/05/85/37/1230058537.db2.gz HVHATSYIZPRDFA-OAHLLOKOSA-N 1 2 345.834 2.122 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(Cl)cc2)nn1 ZINC001038789857 1230058541 /nfs/dbraw/zinc/05/85/41/1230058541.db2.gz HVHATSYIZPRDFA-OAHLLOKOSA-N 1 2 345.834 2.122 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2c(C)nsc2C)cn1 ZINC001038937661 1230178022 /nfs/dbraw/zinc/17/80/22/1230178022.db2.gz BYQNQWKYMLNMIA-INIZCTEOSA-N 1 2 340.452 2.141 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2c(C)nsc2C)cn1 ZINC001038937661 1230178026 /nfs/dbraw/zinc/17/80/26/1230178026.db2.gz BYQNQWKYMLNMIA-INIZCTEOSA-N 1 2 340.452 2.141 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)[C@H]2CC[C@H](CC)CC2)C1=O ZINC001038941533 1230180589 /nfs/dbraw/zinc/18/05/89/1230180589.db2.gz ALWMHOHNDKMIMN-BRSBDYLESA-N 1 2 347.503 2.180 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CC[C@H](CC)CC2)C1=O ZINC001038941533 1230180591 /nfs/dbraw/zinc/18/05/91/1230180591.db2.gz ALWMHOHNDKMIMN-BRSBDYLESA-N 1 2 347.503 2.180 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C#N)sc1C ZINC001039346292 1230542765 /nfs/dbraw/zinc/54/27/65/1230542765.db2.gz CWJZDNNEJFVINR-DFBGVHRSSA-N 1 2 332.473 2.485 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C#N)sc1C ZINC001039346292 1230542768 /nfs/dbraw/zinc/54/27/68/1230542768.db2.gz CWJZDNNEJFVINR-DFBGVHRSSA-N 1 2 332.473 2.485 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cnn(C)c1 ZINC001039479722 1230641986 /nfs/dbraw/zinc/64/19/86/1230641986.db2.gz MCDBZBHCPCQESG-BMFZPTHFSA-N 1 2 336.867 2.341 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cnn(C)c1 ZINC001039479722 1230641988 /nfs/dbraw/zinc/64/19/88/1230641988.db2.gz MCDBZBHCPCQESG-BMFZPTHFSA-N 1 2 336.867 2.341 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CN1c1cccc(F)c1C#N ZINC001039757664 1230785766 /nfs/dbraw/zinc/78/57/66/1230785766.db2.gz NZNHIQXLOMXIHX-KBPBESRZSA-N 1 2 341.390 2.068 20 30 EEEDLO Cc1nc(NC[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC[C@@H]2C)cc[nH+]1 ZINC001039854745 1230859597 /nfs/dbraw/zinc/85/95/97/1230859597.db2.gz KRNREDWIGHIQOR-WFASDCNBSA-N 1 2 338.415 2.195 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)c3cn(C)ccc3=O)C2)C1 ZINC001040290064 1231154211 /nfs/dbraw/zinc/15/42/11/1231154211.db2.gz VGNDUIFVBKYBIU-SFHVURJKSA-N 1 2 349.862 2.066 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cn(C)ccc3=O)C2)C1 ZINC001040290064 1231154212 /nfs/dbraw/zinc/15/42/12/1231154212.db2.gz VGNDUIFVBKYBIU-SFHVURJKSA-N 1 2 349.862 2.066 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4nccn4C)[C@@H]3C2)cc1 ZINC001042180014 1231939729 /nfs/dbraw/zinc/93/97/29/1231939729.db2.gz RMZSJGNHTRPZSM-PKOBYXMFSA-N 1 2 348.450 2.138 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](Cc4nccn4C)[C@@H]3C2)cc1 ZINC001042180014 1231939731 /nfs/dbraw/zinc/93/97/31/1231939731.db2.gz RMZSJGNHTRPZSM-PKOBYXMFSA-N 1 2 348.450 2.138 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4nnc(C)o4)[C@H]3C2)C1 ZINC001042223823 1231966336 /nfs/dbraw/zinc/96/63/36/1231966336.db2.gz HDFUKRUHQCSSAM-GJZGRUSLSA-N 1 2 330.432 2.157 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@H+](Cc4nnc(C)o4)[C@H]3C2)C1 ZINC001042223823 1231966339 /nfs/dbraw/zinc/96/63/39/1231966339.db2.gz HDFUKRUHQCSSAM-GJZGRUSLSA-N 1 2 330.432 2.157 20 30 EEEDLO C[C@H]([NH2+][C@@H](CO)c1cc(F)ccc1F)C(=O)Nc1cccc(C#N)c1 ZINC001413075359 1232010476 /nfs/dbraw/zinc/01/04/76/1232010476.db2.gz BYLNLLNUXOZWKR-GTNSWQLSSA-N 1 2 345.349 2.487 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-c4nnc[nH]4)cc3)C[C@H]21 ZINC001042299957 1232013959 /nfs/dbraw/zinc/01/39/59/1232013959.db2.gz SKWPCUOAEMEWGH-CRAIPNDOSA-N 1 2 349.438 2.031 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-c4nnc[nH]4)cc3)C[C@H]21 ZINC001042299957 1232013961 /nfs/dbraw/zinc/01/39/61/1232013961.db2.gz SKWPCUOAEMEWGH-CRAIPNDOSA-N 1 2 349.438 2.031 20 30 EEEDLO C[C@H]1C[C@H]1CC(=O)N(C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001043738799 1232559344 /nfs/dbraw/zinc/55/93/44/1232559344.db2.gz QTLYIXPJBSTGIM-HOCLYGCPSA-N 1 2 327.428 2.278 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CC[C@H](CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001054843066 1249210205 /nfs/dbraw/zinc/21/02/05/1249210205.db2.gz BKVARSZGHCWVGI-WKILWMFISA-N 1 2 346.475 2.347 20 30 EEEDLO C=C1CCC(C(=O)NC2(C)CC[NH+](Cc3cn(C)nn3)CC2)CC1 ZINC001045546754 1233807560 /nfs/dbraw/zinc/80/75/60/1233807560.db2.gz YRGNCJNUCLYWRV-UHFFFAOYSA-N 1 2 331.464 2.032 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001096035889 1233851710 /nfs/dbraw/zinc/85/17/10/1233851710.db2.gz ZGCSSODFQRFMQK-ZBRFXRBCSA-N 1 2 345.418 2.033 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001096035889 1233851711 /nfs/dbraw/zinc/85/17/11/1233851711.db2.gz ZGCSSODFQRFMQK-ZBRFXRBCSA-N 1 2 345.418 2.033 20 30 EEEDLO C#Cc1ccc(C(=O)NC2(C)CC[NH+](Cc3cc(C)on3)CC2)cn1 ZINC001045623571 1233866256 /nfs/dbraw/zinc/86/62/56/1233866256.db2.gz VRINHTUBGLGCDV-UHFFFAOYSA-N 1 2 338.411 2.144 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nnc(C)o2)C1 ZINC001045844916 1234061094 /nfs/dbraw/zinc/06/10/94/1234061094.db2.gz SHBKNTYOOKZIFG-CABCVRRESA-N 1 2 330.432 2.300 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2nnc(C)o2)C1 ZINC001045844916 1234061097 /nfs/dbraw/zinc/06/10/97/1234061097.db2.gz SHBKNTYOOKZIFG-CABCVRRESA-N 1 2 330.432 2.300 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001046224909 1234571866 /nfs/dbraw/zinc/57/18/66/1234571866.db2.gz WGKMINSYXZNADD-SJKOYZFVSA-N 1 2 327.388 2.138 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001046224909 1234571869 /nfs/dbraw/zinc/57/18/69/1234571869.db2.gz WGKMINSYXZNADD-SJKOYZFVSA-N 1 2 327.388 2.138 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)s1 ZINC001046225094 1234571887 /nfs/dbraw/zinc/57/18/87/1234571887.db2.gz XGMVCCGHQWQURS-INIZCTEOSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)s1 ZINC001046225094 1234571888 /nfs/dbraw/zinc/57/18/88/1234571888.db2.gz XGMVCCGHQWQURS-INIZCTEOSA-N 1 2 329.429 2.046 20 30 EEEDLO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001046250469 1234594838 /nfs/dbraw/zinc/59/48/38/1234594838.db2.gz CJTPPFDMYSTMNB-KRWDZBQOSA-N 1 2 343.818 2.329 20 30 EEEDLO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001046250469 1234594839 /nfs/dbraw/zinc/59/48/39/1234594839.db2.gz CJTPPFDMYSTMNB-KRWDZBQOSA-N 1 2 343.818 2.329 20 30 EEEDLO C[C@@]1(NC(=O)[C@H]2CC2(F)F)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046303451 1234648503 /nfs/dbraw/zinc/64/85/03/1234648503.db2.gz IYIRQBLHVACXPX-GDBMZVCRSA-N 1 2 337.345 2.433 20 30 EEEDLO C[C@@]1(NC(=O)[C@H]2CC2(F)F)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046303451 1234648505 /nfs/dbraw/zinc/64/85/05/1234648505.db2.gz IYIRQBLHVACXPX-GDBMZVCRSA-N 1 2 337.345 2.433 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001046374387 1234723622 /nfs/dbraw/zinc/72/36/22/1234723622.db2.gz NWOSVXJBPBJWKH-HNAYVOBHSA-N 1 2 339.443 2.420 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001046374387 1234723626 /nfs/dbraw/zinc/72/36/26/1234723626.db2.gz NWOSVXJBPBJWKH-HNAYVOBHSA-N 1 2 339.443 2.420 20 30 EEEDLO Cc1cc(N2CCC(N(C)C(=O)[C@H](C)C#N)CC2)nc(C2CC2)[nH+]1 ZINC001096100394 1234857991 /nfs/dbraw/zinc/85/79/91/1234857991.db2.gz GJTJZJLNYKXMHW-GFCCVEGCSA-N 1 2 327.432 2.249 20 30 EEEDLO C[C@]1(NC(=O)c2cnco2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046523649 1234903347 /nfs/dbraw/zinc/90/33/47/1234903347.db2.gz WRVZJHMTPRNXHY-KRWDZBQOSA-N 1 2 328.347 2.080 20 30 EEEDLO C[C@]1(NC(=O)c2cnco2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046523649 1234903352 /nfs/dbraw/zinc/90/33/52/1234903352.db2.gz WRVZJHMTPRNXHY-KRWDZBQOSA-N 1 2 328.347 2.080 20 30 EEEDLO CCn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)n1 ZINC001096103677 1234907001 /nfs/dbraw/zinc/90/70/01/1234907001.db2.gz VWTOEJMPEMJZSR-HOJAQTOUSA-N 1 2 348.450 2.290 20 30 EEEDLO CCn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)n1 ZINC001096103677 1234907006 /nfs/dbraw/zinc/90/70/06/1234907006.db2.gz VWTOEJMPEMJZSR-HOJAQTOUSA-N 1 2 348.450 2.290 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)c3ncccn3)C2)cc1 ZINC001046533501 1234914417 /nfs/dbraw/zinc/91/44/17/1234914417.db2.gz OLWZRNXLJUQLSF-MGPUTAFESA-N 1 2 334.423 2.413 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)c3ncccn3)C2)cc1 ZINC001046533501 1234914419 /nfs/dbraw/zinc/91/44/19/1234914419.db2.gz OLWZRNXLJUQLSF-MGPUTAFESA-N 1 2 334.423 2.413 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001046534309 1234916310 /nfs/dbraw/zinc/91/63/10/1234916310.db2.gz FGQHJMHISRTZBH-QGZVFWFLSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001046534309 1234916314 /nfs/dbraw/zinc/91/63/14/1234916314.db2.gz FGQHJMHISRTZBH-QGZVFWFLSA-N 1 2 345.834 2.418 20 30 EEEDLO Cc1nocc1C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046589382 1234969354 /nfs/dbraw/zinc/96/93/54/1234969354.db2.gz BNCNKVIWYJRZFO-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nocc1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046589382 1234969357 /nfs/dbraw/zinc/96/93/57/1234969357.db2.gz BNCNKVIWYJRZFO-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO CC#CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000801222064 1235245095 /nfs/dbraw/zinc/24/50/95/1235245095.db2.gz RTGGTUSDOGWRKC-UHFFFAOYSA-N 1 2 336.233 2.163 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001046975579 1235378995 /nfs/dbraw/zinc/37/89/95/1235378995.db2.gz QNVUUBUAMKFXGZ-FRRDWIJNSA-N 1 2 336.810 2.380 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001046975579 1235379000 /nfs/dbraw/zinc/37/90/00/1235379000.db2.gz QNVUUBUAMKFXGZ-FRRDWIJNSA-N 1 2 336.810 2.380 20 30 EEEDLO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001046988848 1235398205 /nfs/dbraw/zinc/39/82/05/1235398205.db2.gz SEKGXHFWWVSEDR-CYBMUJFWSA-N 1 2 338.402 2.162 20 30 EEEDLO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001046988848 1235398210 /nfs/dbraw/zinc/39/82/10/1235398210.db2.gz SEKGXHFWWVSEDR-CYBMUJFWSA-N 1 2 338.402 2.162 20 30 EEEDLO Cc1nc(N2CCC[C@@H](NC(=O)C#CC(C)C)C2)c2c([nH+]1)CCCC2 ZINC001096177023 1235818743 /nfs/dbraw/zinc/81/87/43/1235818743.db2.gz KZHWUKJZODEDOC-MRXNPFEDSA-N 1 2 340.471 2.408 20 30 EEEDLO CNS(=O)(=O)c1cccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)c1 ZINC000901458467 1235829008 /nfs/dbraw/zinc/82/90/08/1235829008.db2.gz GFCZTXVQIJMZSM-FPLPWBNLSA-N 1 2 333.413 2.268 20 30 EEEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2scnc2C2CCCC2)C1 ZINC001047445835 1236028494 /nfs/dbraw/zinc/02/84/94/1236028494.db2.gz MWGXFKZUDMPALL-KBPBESRZSA-N 1 2 335.473 2.104 20 30 EEEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2scnc2C2CCCC2)C1 ZINC001047445835 1236028509 /nfs/dbraw/zinc/02/85/09/1236028509.db2.gz MWGXFKZUDMPALL-KBPBESRZSA-N 1 2 335.473 2.104 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001047531408 1236159970 /nfs/dbraw/zinc/15/99/70/1236159970.db2.gz OLTGMNFIXFAVRR-KKUMJFAQSA-N 1 2 344.459 2.050 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001047551704 1236188432 /nfs/dbraw/zinc/18/84/32/1236188432.db2.gz SDJHNJZFJHZNHA-LZWOXQAQSA-N 1 2 344.459 2.050 20 30 EEEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2oc3c(cccc3C)c2C)C1 ZINC001047638653 1236328012 /nfs/dbraw/zinc/32/80/12/1236328012.db2.gz DCTUGQPSPVEYFG-IRXDYDNUSA-N 1 2 340.423 2.190 20 30 EEEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2oc3c(cccc3C)c2C)C1 ZINC001047638653 1236328017 /nfs/dbraw/zinc/32/80/17/1236328017.db2.gz DCTUGQPSPVEYFG-IRXDYDNUSA-N 1 2 340.423 2.190 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCC[NH+]1CCN(c2cccc(F)n2)CC1 ZINC001096294115 1237194267 /nfs/dbraw/zinc/19/42/67/1237194267.db2.gz DUWMGBPCUYCTRK-HNNXBMFYSA-N 1 2 334.439 2.061 20 30 EEEDLO Cc1nc(N2CCC[C@@H](C3CCN(C(=O)[C@@H](C)C#N)CC3)C2)cc[nH+]1 ZINC001067820867 1249699260 /nfs/dbraw/zinc/69/92/60/1249699260.db2.gz HEKNGNKTKVIKRT-WMLDXEAASA-N 1 2 341.459 2.400 20 30 EEEDLO C#Cc1ccc(C(=O)NC2CC3(C2)CC(Nc2cc[nH+]c(C)n2)C3)cn1 ZINC001056522614 1239428582 /nfs/dbraw/zinc/42/85/82/1239428582.db2.gz HRXYRKWKYRTANU-UHFFFAOYSA-N 1 2 347.422 2.314 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001056536874 1239434168 /nfs/dbraw/zinc/43/41/68/1239434168.db2.gz BTPTWAFBZDGFIU-DLBZAZTESA-N 1 2 344.459 2.291 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001056536874 1239434170 /nfs/dbraw/zinc/43/41/70/1239434170.db2.gz BTPTWAFBZDGFIU-DLBZAZTESA-N 1 2 344.459 2.291 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@H]21 ZINC001056624833 1239451330 /nfs/dbraw/zinc/45/13/30/1239451330.db2.gz IONWXVCXXBSYAP-YQQAZPJKSA-N 1 2 344.459 2.004 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001056624833 1239451331 /nfs/dbraw/zinc/45/13/31/1239451331.db2.gz IONWXVCXXBSYAP-YQQAZPJKSA-N 1 2 344.459 2.004 20 30 EEEDLO Cc1nc(C[N@H+]2CC=C(CNC(=O)c3ccc(C#N)[nH]3)CC2)oc1C ZINC001000595109 1240565852 /nfs/dbraw/zinc/56/58/52/1240565852.db2.gz CFLBAYTUAAMDSM-UHFFFAOYSA-N 1 2 339.399 2.053 20 30 EEEDLO Cc1nc(C[N@@H+]2CC=C(CNC(=O)c3ccc(C#N)[nH]3)CC2)oc1C ZINC001000595109 1240565855 /nfs/dbraw/zinc/56/58/55/1240565855.db2.gz CFLBAYTUAAMDSM-UHFFFAOYSA-N 1 2 339.399 2.053 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C#N ZINC001049380652 1240738616 /nfs/dbraw/zinc/73/86/16/1240738616.db2.gz GLGLFDBEYAUQRH-KGYLQXTDSA-N 1 2 326.238 2.120 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C#N ZINC001049380652 1240738622 /nfs/dbraw/zinc/73/86/22/1240738622.db2.gz GLGLFDBEYAUQRH-KGYLQXTDSA-N 1 2 326.238 2.120 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2c(C3CC3)cnn2C)CC1 ZINC001000769979 1240904912 /nfs/dbraw/zinc/90/49/12/1240904912.db2.gz HQLHVDDLCQXJOI-UHFFFAOYSA-N 1 2 334.851 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2c(C3CC3)cnn2C)CC1 ZINC001000769979 1240904919 /nfs/dbraw/zinc/90/49/19/1240904919.db2.gz HQLHVDDLCQXJOI-UHFFFAOYSA-N 1 2 334.851 2.412 20 30 EEEDLO C=CCCC1(C(=O)N(C)CCCN(C)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001067881684 1249866195 /nfs/dbraw/zinc/86/61/95/1249866195.db2.gz SHDKBOBVVXBDOK-UHFFFAOYSA-N 1 2 346.475 2.314 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2n[nH]c3c2CCCC3)CC1 ZINC001000894422 1241151128 /nfs/dbraw/zinc/15/11/28/1241151128.db2.gz MKRVDKPIPKPJGA-UHFFFAOYSA-N 1 2 334.851 2.403 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2n[nH]c3c2CCCC3)CC1 ZINC001000894422 1241151143 /nfs/dbraw/zinc/15/11/43/1241151143.db2.gz MKRVDKPIPKPJGA-UHFFFAOYSA-N 1 2 334.851 2.403 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cnn(CC)n1 ZINC001049636616 1241722576 /nfs/dbraw/zinc/72/25/76/1241722576.db2.gz SXBISXLUOHFVIO-HOTGVXAUSA-N 1 2 331.464 2.076 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cnn(CC)n1 ZINC001049636616 1241722583 /nfs/dbraw/zinc/72/25/83/1241722583.db2.gz SXBISXLUOHFVIO-HOTGVXAUSA-N 1 2 331.464 2.076 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2cnn(CC)n2)C1 ZINC001049713022 1241961770 /nfs/dbraw/zinc/96/17/70/1241961770.db2.gz WMAFMUCWXCARLK-DLBZAZTESA-N 1 2 343.475 2.220 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2cnn(CC)n2)C1 ZINC001049713022 1241961782 /nfs/dbraw/zinc/96/17/82/1241961782.db2.gz WMAFMUCWXCARLK-DLBZAZTESA-N 1 2 343.475 2.220 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001073466462 1242520985 /nfs/dbraw/zinc/52/09/85/1242520985.db2.gz GVRVXHSGKUYZGY-JKSUJKDBSA-N 1 2 346.475 2.229 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001073518667 1242550536 /nfs/dbraw/zinc/55/05/36/1242550536.db2.gz UXAMOXPXZFAWOE-GOEBONIOSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C)sn2)C1 ZINC001073585454 1242574113 /nfs/dbraw/zinc/57/41/13/1242574113.db2.gz IZIRAKLFHPUVDR-LBPRGKRZSA-N 1 2 329.853 2.025 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C)sn2)C1 ZINC001073585454 1242574124 /nfs/dbraw/zinc/57/41/24/1242574124.db2.gz IZIRAKLFHPUVDR-LBPRGKRZSA-N 1 2 329.853 2.025 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001067925130 1249987547 /nfs/dbraw/zinc/98/75/47/1249987547.db2.gz MDRRMYRCTWROKL-HZPDHXFCSA-N 1 2 348.491 2.118 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001073782046 1242720809 /nfs/dbraw/zinc/72/08/09/1242720809.db2.gz VOQYKEWCGAKMLC-RRFJBIMHSA-N 1 2 338.835 2.343 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001073782046 1242720818 /nfs/dbraw/zinc/72/08/18/1242720818.db2.gz VOQYKEWCGAKMLC-RRFJBIMHSA-N 1 2 338.835 2.343 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001073926477 1242775143 /nfs/dbraw/zinc/77/51/43/1242775143.db2.gz HOYSXRAAGQJTGN-CABCVRRESA-N 1 2 332.448 2.052 20 30 EEEDLO N#Cc1cccnc1N[C@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001049972182 1242936248 /nfs/dbraw/zinc/93/62/48/1242936248.db2.gz KSRORVGQMNVYSK-HNNXBMFYSA-N 1 2 338.415 2.102 20 30 EEEDLO Cc1ncncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001096828372 1243337042 /nfs/dbraw/zinc/33/70/42/1243337042.db2.gz YDSNQGSAJXFXMN-QRQLOZEOSA-N 1 2 347.422 2.192 20 30 EEEDLO Cc1ncncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001096828372 1243337048 /nfs/dbraw/zinc/33/70/48/1243337048.db2.gz YDSNQGSAJXFXMN-QRQLOZEOSA-N 1 2 347.422 2.192 20 30 EEEDLO CCn1nccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001096997901 1243558949 /nfs/dbraw/zinc/55/89/49/1243558949.db2.gz IJPMTRDSGQVFOW-QRVBRYPASA-N 1 2 348.450 2.290 20 30 EEEDLO CCn1nccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001096997901 1243558954 /nfs/dbraw/zinc/55/89/54/1243558954.db2.gz IJPMTRDSGQVFOW-QRVBRYPASA-N 1 2 348.450 2.290 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001097068597 1243653460 /nfs/dbraw/zinc/65/34/60/1243653460.db2.gz GYIWASDYAIDFRG-RBSFLKMASA-N 1 2 330.432 2.006 20 30 EEEDLO Cc1cn(C)nc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097057285 1243669267 /nfs/dbraw/zinc/66/92/67/1243669267.db2.gz KQVRKVAHGXNPAE-KURKYZTESA-N 1 2 349.438 2.136 20 30 EEEDLO Cc1cn(C)nc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097057285 1243669273 /nfs/dbraw/zinc/66/92/73/1243669273.db2.gz KQVRKVAHGXNPAE-KURKYZTESA-N 1 2 349.438 2.136 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3c[nH]nc31)C2 ZINC001097079915 1243677660 /nfs/dbraw/zinc/67/76/60/1243677660.db2.gz QCCOPECBNFUSAB-BARDWOONSA-N 1 2 334.851 2.304 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3c[nH]nc31)C2 ZINC001097079915 1243677672 /nfs/dbraw/zinc/67/76/72/1243677672.db2.gz QCCOPECBNFUSAB-BARDWOONSA-N 1 2 334.851 2.304 20 30 EEEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc([C@@H](C)OC)s1)C2 ZINC001097079928 1243678133 /nfs/dbraw/zinc/67/81/33/1243678133.db2.gz QFBQGZUWOHMJMD-SYQHCUMBSA-N 1 2 333.457 2.209 20 30 EEEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc([C@@H](C)OC)s1)C2 ZINC001097079928 1243678136 /nfs/dbraw/zinc/67/81/36/1243678136.db2.gz QFBQGZUWOHMJMD-SYQHCUMBSA-N 1 2 333.457 2.209 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001097087893 1243685664 /nfs/dbraw/zinc/68/56/64/1243685664.db2.gz BVGKFOFIZWLDEP-JHJVBQTASA-N 1 2 328.420 2.025 20 30 EEEDLO C#CCCCC(=O)N1CCC[C@@H]2CN(c3cc[nH+]c(C)n3)CC[C@H]21 ZINC001097136168 1243751371 /nfs/dbraw/zinc/75/13/71/1243751371.db2.gz FSOPIXCMLFFXIS-IAGOWNOFSA-N 1 2 326.444 2.406 20 30 EEEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn3cc(C)nc3s1)C2 ZINC001097220077 1243843765 /nfs/dbraw/zinc/84/37/65/1243843765.db2.gz SEQZENMNZYVSIQ-MCIONIFRSA-N 1 2 328.441 2.063 20 30 EEEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn3cc(C)nc3s1)C2 ZINC001097220077 1243843772 /nfs/dbraw/zinc/84/37/72/1243843772.db2.gz SEQZENMNZYVSIQ-MCIONIFRSA-N 1 2 328.441 2.063 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 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XEUKZXUVDNFIAQ-QGZVFWFLSA-N 1 2 332.444 2.482 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(OCCC)c1 ZINC001050943390 1244683301 /nfs/dbraw/zinc/68/33/01/1244683301.db2.gz XEUKZXUVDNFIAQ-QGZVFWFLSA-N 1 2 332.444 2.482 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3nnc(C)[nH]3)CC2)CC1 ZINC001052682111 1244739999 /nfs/dbraw/zinc/73/99/99/1244739999.db2.gz OISDJUHWHOYIEV-INIZCTEOSA-N 1 2 331.464 2.330 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3nnc(C)[nH]3)CC2)CC1 ZINC001052682111 1244740003 /nfs/dbraw/zinc/74/00/03/1244740003.db2.gz OISDJUHWHOYIEV-INIZCTEOSA-N 1 2 331.464 2.330 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3nnc(CC)n3C)CC2)C1 ZINC001052688872 1244757092 /nfs/dbraw/zinc/75/70/92/1244757092.db2.gz CFXYDTHKYGYPLG-OAHLLOKOSA-N 1 2 345.491 2.205 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3nnc(CC)n3C)CC2)C1 ZINC001052688872 1244757098 /nfs/dbraw/zinc/75/70/98/1244757098.db2.gz CFXYDTHKYGYPLG-OAHLLOKOSA-N 1 2 345.491 2.205 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ncccc1C(F)(F)F ZINC001051199129 1245377618 /nfs/dbraw/zinc/37/76/18/1245377618.db2.gz DXSKVEMLVJHIDM-LBPRGKRZSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ncccc1C(F)(F)F ZINC001051199129 1245377622 /nfs/dbraw/zinc/37/76/22/1245377622.db2.gz DXSKVEMLVJHIDM-LBPRGKRZSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(CC(C)C)c1C ZINC001051228901 1245415290 /nfs/dbraw/zinc/41/52/90/1245415290.db2.gz RTILKSHUWDRTKZ-QGZVFWFLSA-N 1 2 348.491 2.244 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(CC(C)C)c1C ZINC001051228901 1245415293 /nfs/dbraw/zinc/41/52/93/1245415293.db2.gz RTILKSHUWDRTKZ-QGZVFWFLSA-N 1 2 348.491 2.244 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001051311581 1245521343 /nfs/dbraw/zinc/52/13/43/1245521343.db2.gz IWSGHDNEUBAMJQ-HIFRSBDPSA-N 1 2 346.475 2.216 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001053110120 1245933006 /nfs/dbraw/zinc/93/30/06/1245933006.db2.gz YKJLZDOEGDCXBJ-DZGCQCFKSA-N 1 2 346.475 2.074 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC2(C[NH+](CC#CC)C2)n2ccnc21 ZINC001101635742 1246068048 /nfs/dbraw/zinc/06/80/48/1246068048.db2.gz QWFJMNMTMSSZPD-OAHLLOKOSA-N 1 2 326.444 2.081 20 30 EEEDLO C[C@@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001101824185 1246213052 /nfs/dbraw/zinc/21/30/52/1246213052.db2.gz YKTJFYDWWBDJDR-HBNTYKKESA-N 1 2 326.853 2.140 20 30 EEEDLO C[C@@H](C#N)C(=O)NC[C@@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC001101824185 1246213060 /nfs/dbraw/zinc/21/30/60/1246213060.db2.gz YKTJFYDWWBDJDR-HBNTYKKESA-N 1 2 326.853 2.140 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCOC2(C[NH+](CCc3cccs3)C2)C1 ZINC001053374476 1246252367 /nfs/dbraw/zinc/25/23/67/1246252367.db2.gz BWKNLGUTNXFKBH-UHFFFAOYSA-N 1 2 334.485 2.416 20 30 EEEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1nc(Cl)cs1)CCO2 ZINC001053392701 1246276132 /nfs/dbraw/zinc/27/61/32/1246276132.db2.gz FJZBNYHIQHEBRI-UHFFFAOYSA-N 1 2 341.864 2.290 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc(F)c(F)cc1F)CCO2 ZINC001053398445 1246284156 /nfs/dbraw/zinc/28/41/56/1246284156.db2.gz HNAHWYMCHMSJNJ-UHFFFAOYSA-N 1 2 340.345 2.207 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCC4(CC4)C3)C2)CC1 ZINC001052029284 1246393491 /nfs/dbraw/zinc/39/34/91/1246393491.db2.gz YSYXDCSYQBYYPF-RBUKOAKNSA-N 1 2 343.515 2.199 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3[nH]c(C)cc3C)C2)CC1 ZINC001052043086 1246413027 /nfs/dbraw/zinc/41/30/27/1246413027.db2.gz OJHOHZBSDFQDII-KRWDZBQOSA-N 1 2 330.476 2.040 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3CCC4(CC4)CC3)C2)CC1 ZINC001052049669 1246420542 /nfs/dbraw/zinc/42/05/42/1246420542.db2.gz NPIFKRDJCHSRKI-LJQANCHMSA-N 1 2 343.515 2.199 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccc3cnccc31)CCO2 ZINC001053534351 1246441781 /nfs/dbraw/zinc/44/17/81/1246441781.db2.gz SPHYLFNYRXGCTO-UHFFFAOYSA-N 1 2 337.423 2.338 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3Cc4ccccc43)C2)CC1 ZINC001052073736 1246449179 /nfs/dbraw/zinc/44/91/79/1246449179.db2.gz NLTCERNVHQSDHT-AZUAARDMSA-N 1 2 339.483 2.121 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C)ccc3F)C2)CC1 ZINC001052086770 1246465170 /nfs/dbraw/zinc/46/51/70/1246465170.db2.gz HZXGLMZDFMJGCR-MRXNPFEDSA-N 1 2 331.435 2.152 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc4c(c3)C=CCC4)C2)CC1 ZINC001052093155 1246472308 /nfs/dbraw/zinc/47/23/08/1246472308.db2.gz KEOJNTWAMMFOSV-OAQYLSRUSA-N 1 2 349.478 2.111 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)c3ccccc3)C2)CC1 ZINC001052109430 1246490271 /nfs/dbraw/zinc/49/02/71/1246490271.db2.gz CQONKWQQLJVSGW-UYAOXDASSA-N 1 2 339.483 2.032 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCCC3(C)C)C2)CC1 ZINC001052123593 1246509608 /nfs/dbraw/zinc/50/96/08/1246509608.db2.gz JTVCSBQHIAGARJ-RTBURBONSA-N 1 2 345.531 2.445 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@]3(C)CCC(C)=C(C)C3)C2)CC1 ZINC001052123952 1246511421 /nfs/dbraw/zinc/51/14/21/1246511421.db2.gz UWDXYROYVUBSQZ-CTNGQTDRSA-N 1 2 343.515 2.365 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc(COC)c1)O2 ZINC001053623850 1246549303 /nfs/dbraw/zinc/54/93/03/1246549303.db2.gz BZWCCYZPOSZDIH-SFHVURJKSA-N 1 2 344.455 2.372 20 30 EEEDLO Cc1nc(NC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)c2c([nH+]1)CCCC2 ZINC001053653107 1246594542 /nfs/dbraw/zinc/59/45/42/1246594542.db2.gz GOJZMUZSVFAZBW-UMVBOHGHSA-N 1 2 341.459 2.330 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1noc3c1CCCC3)O2 ZINC001053668585 1246616722 /nfs/dbraw/zinc/61/67/22/1246616722.db2.gz NANRORVUICOWEJ-AWEZNQCLSA-N 1 2 345.443 2.093 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(CC(C)C)c[nH]1)O2 ZINC001053689994 1246656308 /nfs/dbraw/zinc/65/63/08/1246656308.db2.gz CZBNUMGLBHFDGF-INIZCTEOSA-N 1 2 331.460 2.362 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(COC)c(F)c1)O2 ZINC001053692400 1246660551 /nfs/dbraw/zinc/66/05/51/1246660551.db2.gz ORWZBUZGBGTXJQ-MRXNPFEDSA-N 1 2 348.418 2.121 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ncccc1OCC)O2 ZINC001053707447 1246686759 /nfs/dbraw/zinc/68/67/59/1246686759.db2.gz HZDQHLVKHBYRAD-HNNXBMFYSA-N 1 2 345.443 2.020 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1coc(C(C)(C)C)n1)CO2 ZINC001053801959 1246809652 /nfs/dbraw/zinc/80/96/52/1246809652.db2.gz WRDOCUYQIOITBH-CYBMUJFWSA-N 1 2 333.432 2.121 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(C)c3ccccc13)CO2 ZINC001053863934 1246930874 /nfs/dbraw/zinc/93/08/74/1246930874.db2.gz SOBPAIJQOHGHTA-OAHLLOKOSA-N 1 2 339.439 2.328 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc3ccccc31)CO2 ZINC001053865338 1246934691 /nfs/dbraw/zinc/93/46/91/1246934691.db2.gz WZGZHJQJHOHYIB-HNNXBMFYSA-N 1 2 337.423 2.384 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccn3ccccc13)CO2 ZINC001053867876 1246938509 /nfs/dbraw/zinc/93/85/09/1246938509.db2.gz VMMVQMQITWFJSA-OAHLLOKOSA-N 1 2 325.412 2.089 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cncc(OC(C)C)c1)CO2 ZINC001053891935 1246975163 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1 2 348.393 2.395 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccc(CC)n1 ZINC001054042654 1247205972 /nfs/dbraw/zinc/20/59/72/1247205972.db2.gz DXZRVNXAUNRYLQ-LJQANCHMSA-N 1 2 333.435 2.434 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccc(CC)n1 ZINC001054042654 1247205982 /nfs/dbraw/zinc/20/59/82/1247205982.db2.gz DXZRVNXAUNRYLQ-LJQANCHMSA-N 1 2 333.435 2.434 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(OCC)nc1 ZINC001054042818 1247207925 /nfs/dbraw/zinc/20/79/25/1247207925.db2.gz IQFBPZLPUXSKFY-IBGZPJMESA-N 1 2 349.434 2.270 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(OCC)nc1 ZINC001054042818 1247207930 /nfs/dbraw/zinc/20/79/30/1247207930.db2.gz IQFBPZLPUXSKFY-IBGZPJMESA-N 1 2 349.434 2.270 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001054045335 1247219361 /nfs/dbraw/zinc/21/93/61/1247219361.db2.gz OQFVNGAMUAZLKH-LJQANCHMSA-N 1 2 333.435 2.488 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001054045335 1247219370 /nfs/dbraw/zinc/21/93/70/1247219370.db2.gz OQFVNGAMUAZLKH-LJQANCHMSA-N 1 2 333.435 2.488 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ncc(C)cc1C ZINC001054048349 1247230471 /nfs/dbraw/zinc/23/04/71/1247230471.db2.gz ZSGPCJHTWQPALT-LJQANCHMSA-N 1 2 333.435 2.488 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ncc(C)cc1C ZINC001054048349 1247230480 /nfs/dbraw/zinc/23/04/80/1247230480.db2.gz ZSGPCJHTWQPALT-LJQANCHMSA-N 1 2 333.435 2.488 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001054047793 1247231118 /nfs/dbraw/zinc/23/11/18/1247231118.db2.gz MLOUDQLYCYIPHW-QGZVFWFLSA-N 1 2 325.387 2.334 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001054047793 1247231125 /nfs/dbraw/zinc/23/11/25/1247231125.db2.gz MLOUDQLYCYIPHW-QGZVFWFLSA-N 1 2 325.387 2.334 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(CC)on1 ZINC001054058702 1247263971 /nfs/dbraw/zinc/26/39/71/1247263971.db2.gz ULOUEMMBBGSLRQ-QGZVFWFLSA-N 1 2 337.423 2.417 20 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RNMRTBKUJSZNMK-AAEUAGOBSA-N 1 2 329.429 2.126 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)c2cn(C)cn2)C[N@@H+]1Cc1ccccc1C#N ZINC001071434454 1254177158 /nfs/dbraw/zinc/17/71/58/1254177158.db2.gz HQZHJDMZJBTJHS-YOEHRIQHSA-N 1 2 337.427 2.075 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)c2cn(C)cn2)C[N@H+]1Cc1ccccc1C#N ZINC001071434454 1254177161 /nfs/dbraw/zinc/17/71/61/1254177161.db2.gz HQZHJDMZJBTJHS-YOEHRIQHSA-N 1 2 337.427 2.075 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccnc3ccnn32)CC[C@H]1C ZINC001071560891 1254336006 /nfs/dbraw/zinc/33/60/06/1254336006.db2.gz FFKVOOJPLXUKJL-CHWSQXEVSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccnc3ccnn32)CC[C@H]1C ZINC001071560891 1254336014 /nfs/dbraw/zinc/33/60/14/1254336014.db2.gz FFKVOOJPLXUKJL-CHWSQXEVSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2nnn(CC)c2CC)CC[C@H]1C ZINC001071825100 1254682778 /nfs/dbraw/zinc/68/27/78/1254682778.db2.gz RAMDNOULQNADDH-OLZOCXBDSA-N 1 2 339.871 2.196 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2nnn(CC)c2CC)CC[C@H]1C ZINC001071825100 1254682792 /nfs/dbraw/zinc/68/27/92/1254682792.db2.gz RAMDNOULQNADDH-OLZOCXBDSA-N 1 2 339.871 2.196 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnc3c(cnn3C)c2)CC[C@H]1C ZINC001071934144 1254820360 /nfs/dbraw/zinc/82/03/60/1254820360.db2.gz HMKKRTVEYNCMSF-IUODEOHRSA-N 1 2 347.850 2.304 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnc3c(cnn3C)c2)CC[C@H]1C ZINC001071934144 1254820367 /nfs/dbraw/zinc/82/03/67/1254820367.db2.gz HMKKRTVEYNCMSF-IUODEOHRSA-N 1 2 347.850 2.304 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC2(CN(C(=O)c3cocn3)C2)C1 ZINC001072546968 1255231726 /nfs/dbraw/zinc/23/17/26/1255231726.db2.gz HYDRILXRAJECEO-UHFFFAOYSA-N 1 2 340.358 2.033 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC2(CN(C(=O)c3cocn3)C2)C1 ZINC001072546968 1255231732 /nfs/dbraw/zinc/23/17/32/1255231732.db2.gz HYDRILXRAJECEO-UHFFFAOYSA-N 1 2 340.358 2.033 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCC(C)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001073205988 1255787793 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/nfs/dbraw/zinc/60/26/47/1316602647.db2.gz OJCXVHQBYCXJBN-UHFFFAOYSA-N 1 2 349.232 2.269 20 30 EEEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H](C)COC ZINC001152366114 1316662442 /nfs/dbraw/zinc/66/24/42/1316662442.db2.gz RNGVVVXDFPQZFH-UONOGXRCSA-N 1 2 335.423 2.306 20 30 EEEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H](C)COC ZINC001152366114 1316662446 /nfs/dbraw/zinc/66/24/46/1316662446.db2.gz RNGVVVXDFPQZFH-UONOGXRCSA-N 1 2 335.423 2.306 20 30 EEEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)Cc1ccon1 ZINC001152514761 1316681495 /nfs/dbraw/zinc/68/14/95/1316681495.db2.gz FKVPCSOGXNOPOD-CYBMUJFWSA-N 1 2 344.390 2.255 20 30 EEEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)Cc1ccon1 ZINC001152514761 1316681497 /nfs/dbraw/zinc/68/14/97/1316681497.db2.gz FKVPCSOGXNOPOD-CYBMUJFWSA-N 1 2 344.390 2.255 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C)s1 ZINC001153018597 1316760347 /nfs/dbraw/zinc/76/03/47/1316760347.db2.gz JQMVLGVJYSOUTG-MLGOLLRUSA-N 1 2 325.478 2.105 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C)s1 ZINC001153018597 1316760349 /nfs/dbraw/zinc/76/03/49/1316760349.db2.gz JQMVLGVJYSOUTG-MLGOLLRUSA-N 1 2 325.478 2.105 20 30 EEEDLO C=CCC[C@@H](C(=O)NCC[NH2+]Cc1nonc1C)c1ccccc1 ZINC001153817515 1316891024 /nfs/dbraw/zinc/89/10/24/1316891024.db2.gz PVWXQNDYAITTOE-MRXNPFEDSA-N 1 2 328.416 2.334 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nccc(C)n1 ZINC001154477734 1317152675 /nfs/dbraw/zinc/15/26/75/1317152675.db2.gz WTXACYOAQCCTQO-APWZRJJASA-N 1 2 348.491 2.340 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccc(C)n1 ZINC001154477734 1317152681 /nfs/dbraw/zinc/15/26/81/1317152681.db2.gz WTXACYOAQCCTQO-APWZRJJASA-N 1 2 348.491 2.340 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1cn(CC2CC2)nn1 ZINC001154620567 1317236658 /nfs/dbraw/zinc/23/66/58/1317236658.db2.gz MJRUOQGPHLAUDI-CQSZACIVSA-N 1 2 333.480 2.227 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cn(CC2CC2)nn1 ZINC001154620567 1317236667 /nfs/dbraw/zinc/23/66/67/1317236667.db2.gz MJRUOQGPHLAUDI-CQSZACIVSA-N 1 2 333.480 2.227 20 30 EEEDLO CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[N@@H+]2CC[C@H](C#N)C2)cc1 ZINC001253425642 1317851684 /nfs/dbraw/zinc/85/16/84/1317851684.db2.gz ZIIAGXPFJCBGNK-RHSMWYFYSA-N 1 2 330.428 2.347 20 30 EEEDLO CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[N@H+]2CC[C@H](C#N)C2)cc1 ZINC001253425642 1317851692 /nfs/dbraw/zinc/85/16/92/1317851692.db2.gz ZIIAGXPFJCBGNK-RHSMWYFYSA-N 1 2 330.428 2.347 20 30 EEEDLO C#CC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)CC1CC1 ZINC001253563882 1317883994 /nfs/dbraw/zinc/88/39/94/1317883994.db2.gz YYRADBLNNWCKAG-UHFFFAOYSA-N 1 2 346.452 2.307 20 30 EEEDLO C#CC[N@H+](CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)CC1CC1 ZINC001253563882 1317883998 /nfs/dbraw/zinc/88/39/98/1317883998.db2.gz YYRADBLNNWCKAG-UHFFFAOYSA-N 1 2 346.452 2.307 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H]2CCCCN2C(=O)CC)c1 ZINC001157384110 1318592219 /nfs/dbraw/zinc/59/22/19/1318592219.db2.gz RCBCLKYYJUZQFU-GOSISDBHSA-N 1 2 341.455 2.329 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H]2CCCCN2C(=O)CC)c1 ZINC001157384110 1318592227 /nfs/dbraw/zinc/59/22/27/1318592227.db2.gz RCBCLKYYJUZQFU-GOSISDBHSA-N 1 2 341.455 2.329 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nccn1CC ZINC001157876640 1318913228 /nfs/dbraw/zinc/91/32/28/1318913228.db2.gz SPONJNJKSJSGFB-APWZRJJASA-N 1 2 348.491 2.043 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nccn1CC ZINC001157876640 1318913235 /nfs/dbraw/zinc/91/32/35/1318913235.db2.gz SPONJNJKSJSGFB-APWZRJJASA-N 1 2 348.491 2.043 20 30 EEEDLO C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001158147633 1319043878 /nfs/dbraw/zinc/04/38/78/1319043878.db2.gz DAJBGFLSWDLRLR-IAGOWNOFSA-N 1 2 342.487 2.159 20 30 EEEDLO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001158147633 1319043885 /nfs/dbraw/zinc/04/38/85/1319043885.db2.gz DAJBGFLSWDLRLR-IAGOWNOFSA-N 1 2 342.487 2.159 20 30 EEEDLO C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001158147633 1319043894 /nfs/dbraw/zinc/04/38/94/1319043894.db2.gz DAJBGFLSWDLRLR-IAGOWNOFSA-N 1 2 342.487 2.159 20 30 EEEDLO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001158147633 1319043902 /nfs/dbraw/zinc/04/39/02/1319043902.db2.gz DAJBGFLSWDLRLR-IAGOWNOFSA-N 1 2 342.487 2.159 20 30 EEEDLO N#CCc1cc[nH+]c(N2CCN(C(=O)Cc3ccsc3)CC2)c1 ZINC001158210308 1319080826 /nfs/dbraw/zinc/08/08/26/1319080826.db2.gz JLMBHORIZZXZJD-UHFFFAOYSA-N 1 2 326.425 2.100 20 30 EEEDLO N#Cc1cc2c(nc1N1CC[C@H]([NH+]3CCCC3)C(F)(F)C1)CCOC2 ZINC001158629891 1319344886 /nfs/dbraw/zinc/34/48/86/1319344886.db2.gz WMXPXJAKUDRPLC-INIZCTEOSA-N 1 2 348.397 2.336 20 30 EEEDLO Cc1ccc([C@@H](C#N)c2ccc(NC[C@@H]3COCC[N@H+]3C)nn2)cc1 ZINC001158700870 1319385317 /nfs/dbraw/zinc/38/53/17/1319385317.db2.gz SHMRQFHADRAYMZ-IAGOWNOFSA-N 1 2 337.427 2.183 20 30 EEEDLO Cc1ccc([C@@H](C#N)c2ccc(NC[C@@H]3COCC[N@@H+]3C)nn2)cc1 ZINC001158700870 1319385323 /nfs/dbraw/zinc/38/53/23/1319385323.db2.gz SHMRQFHADRAYMZ-IAGOWNOFSA-N 1 2 337.427 2.183 20 30 EEEDLO C#CCCCC(=O)NCCC1=CC[N@H+](Cc2cn(C(C)C)nn2)CC1 ZINC001159957845 1320033425 /nfs/dbraw/zinc/03/34/25/1320033425.db2.gz QUXHZGSIDQLHQU-UHFFFAOYSA-N 1 2 343.475 2.301 20 30 EEEDLO C#CCCCC(=O)NCCC1=CC[N@@H+](Cc2cn(C(C)C)nn2)CC1 ZINC001159957845 1320033430 /nfs/dbraw/zinc/03/34/30/1320033430.db2.gz QUXHZGSIDQLHQU-UHFFFAOYSA-N 1 2 343.475 2.301 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NCCC1=CC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC001159979114 1320039507 /nfs/dbraw/zinc/03/95/07/1320039507.db2.gz JKEBFZSKLJRPDX-LJQANCHMSA-N 1 2 347.459 2.257 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NCCC1=CC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC001159979114 1320039512 /nfs/dbraw/zinc/03/95/12/1320039512.db2.gz JKEBFZSKLJRPDX-LJQANCHMSA-N 1 2 347.459 2.257 20 30 EEEDLO C#CCCN1CCC[C@@H](Nc2cc(N3CCC[C@H](C)C3)nc[nH+]2)C1=O ZINC001160900317 1320309359 /nfs/dbraw/zinc/30/93/59/1320309359.db2.gz AERUHXOCUNUXIM-JKSUJKDBSA-N 1 2 341.459 2.139 20 30 EEEDLO C#CCCN1CCC[C@@H](Nc2cc(N3CCC[C@H](C)C3)[nH+]cn2)C1=O ZINC001160900317 1320309362 /nfs/dbraw/zinc/30/93/62/1320309362.db2.gz AERUHXOCUNUXIM-JKSUJKDBSA-N 1 2 341.459 2.139 20 30 EEEDLO CC#CC[N@H+]1CC=C(CCNC(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC001161632198 1320565538 /nfs/dbraw/zinc/56/55/38/1320565538.db2.gz RBYNXFBMYWBUPX-UHFFFAOYSA-N 1 2 349.438 2.247 20 30 EEEDLO CC#CC[N@@H+]1CC=C(CCNC(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC001161632198 1320565542 /nfs/dbraw/zinc/56/55/42/1320565542.db2.gz RBYNXFBMYWBUPX-UHFFFAOYSA-N 1 2 349.438 2.247 20 30 EEEDLO C=CCCOCC(=O)NCCC1=CC[N@H+]([C@H](C)c2nc(C)no2)CC1 ZINC001161972594 1320701596 /nfs/dbraw/zinc/70/15/96/1320701596.db2.gz GPNSWOUXXYTVRN-CQSZACIVSA-N 1 2 348.447 2.170 20 30 EEEDLO C=CCCOCC(=O)NCCC1=CC[N@@H+]([C@H](C)c2nc(C)no2)CC1 ZINC001161972594 1320701598 /nfs/dbraw/zinc/70/15/98/1320701598.db2.gz GPNSWOUXXYTVRN-CQSZACIVSA-N 1 2 348.447 2.170 20 30 EEEDLO Cc1noc([C@@H]2C[C@@H]3CCN(c4cc(CC#N)cc[nH+]4)C[C@H]3O2)n1 ZINC001165476381 1321532616 /nfs/dbraw/zinc/53/26/16/1321532616.db2.gz ZYEAGVJKQXGWOV-SOUVJXGZSA-N 1 2 325.372 2.196 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1CCO ZINC001203904964 1321986726 /nfs/dbraw/zinc/98/67/26/1321986726.db2.gz LZYORZIIYWOBQP-KRWDZBQOSA-N 1 2 345.443 2.362 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1CCO ZINC001203904964 1321986730 /nfs/dbraw/zinc/98/67/30/1321986730.db2.gz LZYORZIIYWOBQP-KRWDZBQOSA-N 1 2 345.443 2.362 20 30 EEEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(CC)CCSC ZINC001263288397 1322453582 /nfs/dbraw/zinc/45/35/82/1322453582.db2.gz RBIRUIJMYYWYAS-UHFFFAOYSA-N 1 2 334.493 2.368 20 30 EEEDLO COc1cccc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)n1 ZINC001205496801 1323162406 /nfs/dbraw/zinc/16/24/06/1323162406.db2.gz SEWUCUPDSKPMPG-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)OCC2CC2)C1 ZINC001206471915 1323504117 /nfs/dbraw/zinc/50/41/17/1323504117.db2.gz AHMNRSZHSIHFQK-MPKXVKKWSA-N 1 2 345.281 2.147 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)OCC2CC2)C1 ZINC001206471915 1323504121 /nfs/dbraw/zinc/50/41/21/1323504121.db2.gz AHMNRSZHSIHFQK-MPKXVKKWSA-N 1 2 345.281 2.147 20 30 EEEDLO COCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001207987986 1324249341 /nfs/dbraw/zinc/24/93/41/1324249341.db2.gz CWOBTLYQYGHIJM-CXAGYDPISA-N 1 2 347.434 2.306 20 30 EEEDLO COCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001207987986 1324249348 /nfs/dbraw/zinc/24/93/48/1324249348.db2.gz CWOBTLYQYGHIJM-CXAGYDPISA-N 1 2 347.434 2.306 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)COCC(F)F)C1 ZINC001208092415 1324311951 /nfs/dbraw/zinc/31/19/51/1324311951.db2.gz QGJDPCLBYHODPY-ZYHUDNBSSA-N 1 2 338.826 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)COCC(F)F)C1 ZINC001208092415 1324311958 /nfs/dbraw/zinc/31/19/58/1324311958.db2.gz QGJDPCLBYHODPY-ZYHUDNBSSA-N 1 2 338.826 2.483 20 30 EEEDLO 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/nfs/dbraw/zinc/93/52/52/764935252.db2.gz NKVMKVZSYLVFJC-GOSISDBHSA-N 1 2 343.475 2.135 20 30 EEEDLO CC(C)C(=O)NC[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001149173799 765053758 /nfs/dbraw/zinc/05/37/58/765053758.db2.gz BDIIVVFGCIPEBO-INIZCTEOSA-N 1 2 333.407 2.060 20 30 EEEDLO CC(C)C(=O)NC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001149173799 765053766 /nfs/dbraw/zinc/05/37/66/765053766.db2.gz BDIIVVFGCIPEBO-INIZCTEOSA-N 1 2 333.407 2.060 20 30 EEEDLO C=CCOCC(=O)N(C)CCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001112052299 765332234 /nfs/dbraw/zinc/33/22/34/765332234.db2.gz IZRZUEFAOWNJIA-UHFFFAOYSA-N 1 2 332.448 2.150 20 30 EEEDLO CC(C)[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)Nc1ncccc1C#N ZINC001105289312 769585694 /nfs/dbraw/zinc/58/56/94/769585694.db2.gz YJYROOCVZXCRPT-GDBMZVCRSA-N 1 2 340.431 2.354 20 30 EEEDLO CC(C)[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)Nc1cnc(C#N)cn1 ZINC001105309168 769671289 /nfs/dbraw/zinc/67/12/89/769671289.db2.gz LBHMXJMWQNQQFB-INIZCTEOSA-N 1 2 349.398 2.091 20 30 EEEDLO Cc1ocnc1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001031567759 769731585 /nfs/dbraw/zinc/73/15/85/769731585.db2.gz DBSULZIFNFABEO-UHFFFAOYSA-N 1 2 343.814 2.350 20 30 EEEDLO Cc1[nH]ccc1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031605375 770136520 /nfs/dbraw/zinc/13/65/20/770136520.db2.gz CUKMPDAYMSYASL-UHFFFAOYSA-N 1 2 326.375 2.196 20 30 EEEDLO Cc1cccnc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031606608 770140457 /nfs/dbraw/zinc/14/04/57/770140457.db2.gz PNKMLQIVWQHJNR-UHFFFAOYSA-N 1 2 338.386 2.263 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(CC)n3)C[C@@H]2C)CC1 ZINC000942600049 782822893 /nfs/dbraw/zinc/82/28/93/782822893.db2.gz JJPAJTNENKTTGH-YJBOKZPZSA-N 1 2 345.491 2.371 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnn(CC)n3)C[C@@H]2C)CC1 ZINC000942600049 782822898 /nfs/dbraw/zinc/82/28/98/782822898.db2.gz JJPAJTNENKTTGH-YJBOKZPZSA-N 1 2 345.491 2.371 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CN(c2cc[nH+]c(C)n2)CCCO1 ZINC001089554775 770296568 /nfs/dbraw/zinc/29/65/68/770296568.db2.gz KKECYDPMGMHSGM-GOEBONIOSA-N 1 2 332.448 2.099 20 30 EEEDLO N#Cc1cc(C(=O)NCC2C[NH+](Cc3cc(O)ccc3Cl)C2)c[nH]1 ZINC001031622884 770386542 /nfs/dbraw/zinc/38/65/42/770386542.db2.gz LWUNONARQCQZHR-UHFFFAOYSA-N 1 2 344.802 2.107 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(CC)n3C)C[C@@H]2C)C1 ZINC000942602772 782836346 /nfs/dbraw/zinc/83/63/46/782836346.db2.gz NPOWUFNMWRHMDM-GJZGRUSLSA-N 1 2 345.491 2.060 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nnc(CC)n3C)C[C@@H]2C)C1 ZINC000942602772 782836356 /nfs/dbraw/zinc/83/63/56/782836356.db2.gz NPOWUFNMWRHMDM-GJZGRUSLSA-N 1 2 345.491 2.060 20 30 EEEDLO C[C@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031637852 770524421 /nfs/dbraw/zinc/52/44/21/770524421.db2.gz OHLQFNLOCOXRDB-BEFAXECRSA-N 1 2 344.430 2.040 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2cccc(Cl)n2)[nH]1 ZINC001027832307 770944985 /nfs/dbraw/zinc/94/49/85/770944985.db2.gz CBWNNTDOFUCBQE-CQSZACIVSA-N 1 2 343.818 2.329 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cccc(Cl)n2)[nH]1 ZINC001027832307 770944995 /nfs/dbraw/zinc/94/49/95/770944995.db2.gz CBWNNTDOFUCBQE-CQSZACIVSA-N 1 2 343.818 2.329 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC=C(Cl)Cl)[nH]1 ZINC001027831751 770957299 /nfs/dbraw/zinc/95/72/99/770957299.db2.gz UPRHPNQALSRUET-LLVKDONJSA-N 1 2 327.215 2.400 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC=C(Cl)Cl)[nH]1 ZINC001027831751 770957304 /nfs/dbraw/zinc/95/73/04/770957304.db2.gz UPRHPNQALSRUET-LLVKDONJSA-N 1 2 327.215 2.400 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC[C@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001098719389 782933222 /nfs/dbraw/zinc/93/32/22/782933222.db2.gz MAYKUPPKHPISFC-LPHOPBHVSA-N 1 2 346.475 2.441 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001089692146 774389352 /nfs/dbraw/zinc/38/93/52/774389352.db2.gz LZZYCWHMZXQNBF-CVEARBPZSA-N 1 2 346.475 2.278 20 30 EEEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1nonc1C ZINC001089735789 774816768 /nfs/dbraw/zinc/81/67/68/774816768.db2.gz ITWOJEMYQRRPFC-LBPRGKRZSA-N 1 2 326.828 2.351 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1nonc1C ZINC001089735789 774816780 /nfs/dbraw/zinc/81/67/80/774816780.db2.gz ITWOJEMYQRRPFC-LBPRGKRZSA-N 1 2 326.828 2.351 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2COc3cc(C)c(C)cc32)C1 ZINC001108098793 783208638 /nfs/dbraw/zinc/20/86/38/783208638.db2.gz ZUASZBJFUSKKDE-YLJYHZDGSA-N 1 2 344.455 2.173 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2COc3cc(C)c(C)cc32)C1 ZINC001108098793 783208642 /nfs/dbraw/zinc/20/86/42/783208642.db2.gz ZUASZBJFUSKKDE-YLJYHZDGSA-N 1 2 344.455 2.173 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(CC)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106912029 775233401 /nfs/dbraw/zinc/23/34/01/775233401.db2.gz SLQXGNHKOKNCKF-UHFFFAOYSA-N 1 2 345.491 2.327 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(CC)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106912029 775233409 /nfs/dbraw/zinc/23/34/09/775233409.db2.gz SLQXGNHKOKNCKF-UHFFFAOYSA-N 1 2 345.491 2.327 20 30 EEEDLO CCn1ccnc1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981064134 776460992 /nfs/dbraw/zinc/46/09/92/776460992.db2.gz DCOFJEVBODEQKL-UHFFFAOYSA-N 1 2 336.439 2.103 20 30 EEEDLO CCn1ccnc1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981064134 776460997 /nfs/dbraw/zinc/46/09/97/776460997.db2.gz DCOFJEVBODEQKL-UHFFFAOYSA-N 1 2 336.439 2.103 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCCN(c2cc[nH+]c(C)n2)C1 ZINC001063241364 790464947 /nfs/dbraw/zinc/46/49/47/790464947.db2.gz WBDVWKZUENCKJF-BQFCYCMXSA-N 1 2 344.459 2.241 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)CCc2ccon2)CC1 ZINC000981617978 777796158 /nfs/dbraw/zinc/79/61/58/777796158.db2.gz YJIPDJKWWLHZES-UHFFFAOYSA-N 1 2 338.411 2.213 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCc2ccon2)CC1 ZINC000981617978 777796166 /nfs/dbraw/zinc/79/61/66/777796166.db2.gz YJIPDJKWWLHZES-UHFFFAOYSA-N 1 2 338.411 2.213 20 30 EEEDLO CO[C@@H](C)C(=O)N1CC2(C1)CCC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC000981648372 777871614 /nfs/dbraw/zinc/87/16/14/777871614.db2.gz AJDSTGKXRFEWHN-AWEZNQCLSA-N 1 2 345.418 2.157 20 30 EEEDLO CO[C@@H](C)C(=O)N1CC2(C1)CCC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC000981648372 777871624 /nfs/dbraw/zinc/87/16/24/777871624.db2.gz AJDSTGKXRFEWHN-AWEZNQCLSA-N 1 2 345.418 2.157 20 30 EEEDLO Cc1cnc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)cc1C ZINC001031867744 778050249 /nfs/dbraw/zinc/05/02/49/778050249.db2.gz XDOZCZNOIKYWND-UHFFFAOYSA-N 1 2 333.435 2.412 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C2CC(C)C2)cc1C#N ZINC001038156849 778168129 /nfs/dbraw/zinc/16/81/29/778168129.db2.gz BMEGJEYQYLTXHF-PUJMQQBBSA-N 1 2 327.428 2.303 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C2CC(C)C2)cc1C#N ZINC001038156849 778168132 /nfs/dbraw/zinc/16/81/32/778168132.db2.gz BMEGJEYQYLTXHF-PUJMQQBBSA-N 1 2 327.428 2.303 20 30 EEEDLO CCc1noc([C@@H](C)[N@@H+]2CCCC3(CN(C(=O)C#CC4CC4)C3)C2)n1 ZINC000981758527 778168173 /nfs/dbraw/zinc/16/81/73/778168173.db2.gz TUGBYYKVBNAQFI-CQSZACIVSA-N 1 2 342.443 2.031 20 30 EEEDLO CCc1noc([C@@H](C)[N@H+]2CCCC3(CN(C(=O)C#CC4CC4)C3)C2)n1 ZINC000981758527 778168176 /nfs/dbraw/zinc/16/81/76/778168176.db2.gz TUGBYYKVBNAQFI-CQSZACIVSA-N 1 2 342.443 2.031 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@@H+]([C@H](C)c1nnc(C)[nH]1)C2 ZINC000981937645 778587666 /nfs/dbraw/zinc/58/76/66/778587666.db2.gz LHSKJKDZDJXENM-CYBMUJFWSA-N 1 2 331.464 2.311 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@H+]([C@H](C)c1nnc(C)[nH]1)C2 ZINC000981937645 778587671 /nfs/dbraw/zinc/58/76/71/778587671.db2.gz LHSKJKDZDJXENM-CYBMUJFWSA-N 1 2 331.464 2.311 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N(CC)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106923589 778777660 /nfs/dbraw/zinc/77/76/60/778777660.db2.gz BTVSEWIKFZTGDK-CABCVRRESA-N 1 2 345.491 2.183 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N(CC)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106923589 778777670 /nfs/dbraw/zinc/77/76/70/778777670.db2.gz BTVSEWIKFZTGDK-CABCVRRESA-N 1 2 345.491 2.183 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn2cc(OC)ccc12 ZINC001028204335 778917591 /nfs/dbraw/zinc/91/75/91/778917591.db2.gz RBSBDOWWILRQNS-CYBMUJFWSA-N 1 2 348.834 2.290 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn2cc(OC)ccc12 ZINC001028204335 778917600 /nfs/dbraw/zinc/91/76/00/778917600.db2.gz RBSBDOWWILRQNS-CYBMUJFWSA-N 1 2 348.834 2.290 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](CC)C(C)(C)C)C2)nn1 ZINC001105359841 779142367 /nfs/dbraw/zinc/14/23/67/779142367.db2.gz YBNRWYMALWPNMS-HNNXBMFYSA-N 1 2 345.491 2.237 20 30 EEEDLO Cc1coc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001031913948 779427616 /nfs/dbraw/zinc/42/76/16/779427616.db2.gz WDJIPURBJLOUHX-UHFFFAOYSA-N 1 2 327.359 2.461 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H](F)C3)C2)c1 ZINC001031930488 779986741 /nfs/dbraw/zinc/98/67/41/779986741.db2.gz XNFKZQRHPBBIRD-ZBFHGGJFSA-N 1 2 333.382 2.384 20 30 EEEDLO O=C(CC1CCC1)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001083386162 781030956 /nfs/dbraw/zinc/03/09/56/781030956.db2.gz REEQPEYTSYONPD-MSOLQXFVSA-N 1 2 346.858 2.043 20 30 EEEDLO O=C(CC1CCC1)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001083386162 781030962 /nfs/dbraw/zinc/03/09/62/781030962.db2.gz REEQPEYTSYONPD-MSOLQXFVSA-N 1 2 346.858 2.043 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](Cc3ccnc(Cl)c3)C[C@H]21 ZINC001075776392 781475729 /nfs/dbraw/zinc/47/57/29/781475729.db2.gz LUANVOFXSKGXFG-JKSUJKDBSA-N 1 2 329.831 2.181 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](Cc3ccnc(Cl)c3)C[C@H]21 ZINC001075776392 781475735 /nfs/dbraw/zinc/47/57/35/781475735.db2.gz LUANVOFXSKGXFG-JKSUJKDBSA-N 1 2 329.831 2.181 20 30 EEEDLO C=CCOc1ccccc1C(=O)NC1C[NH+](C[C@H]2CC[C@@H](C)O2)C1 ZINC001030541994 790903333 /nfs/dbraw/zinc/90/33/33/790903333.db2.gz IQRYNHXAKPAADK-GDBMZVCRSA-N 1 2 330.428 2.233 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CCCOC)CC[C@H]1C ZINC001131847331 783346878 /nfs/dbraw/zinc/34/68/78/783346878.db2.gz BRFYJJFEOSVIFY-CHWSQXEVSA-N 1 2 333.270 2.291 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CCCOC)CC[C@H]1C ZINC001131847331 783346884 /nfs/dbraw/zinc/34/68/84/783346884.db2.gz BRFYJJFEOSVIFY-CHWSQXEVSA-N 1 2 333.270 2.291 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ncc(OC)cc3F)[C@@H]2C1 ZINC001075863775 783400840 /nfs/dbraw/zinc/40/08/40/783400840.db2.gz JWFFOCUZHDBLFT-SMDDNHRTSA-N 1 2 339.798 2.128 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ncc(OC)cc3F)[C@@H]2C1 ZINC001075863775 783400848 /nfs/dbraw/zinc/40/08/48/783400848.db2.gz JWFFOCUZHDBLFT-SMDDNHRTSA-N 1 2 339.798 2.128 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001131895720 783453233 /nfs/dbraw/zinc/45/32/33/783453233.db2.gz LKALPIPARFFITL-UONOGXRCSA-N 1 2 334.416 2.084 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001131895720 783453237 /nfs/dbraw/zinc/45/32/37/783453237.db2.gz LKALPIPARFFITL-UONOGXRCSA-N 1 2 334.416 2.084 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc([C@@H](C)OC)no2)C1 ZINC001035042265 783602135 /nfs/dbraw/zinc/60/21/35/783602135.db2.gz ZAKOWIHJJJNUEY-ZIAGYGMSSA-N 1 2 348.447 2.214 20 30 EEEDLO CCCCCCC[NH2+]CCCNC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC001170810666 783672973 /nfs/dbraw/zinc/67/29/73/783672973.db2.gz JZQAUCGYYSGFTA-UHFFFAOYSA-N 1 2 346.479 2.490 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)CC1 ZINC000945550156 784363806 /nfs/dbraw/zinc/36/38/06/784363806.db2.gz PGZVTUTYOJQRAJ-WMLDXEAASA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(NC(=O)CC)c2)C1 ZINC001035392749 784435927 /nfs/dbraw/zinc/43/59/27/784435927.db2.gz VJAZYLNIEMXYSV-QGZVFWFLSA-N 1 2 345.443 2.042 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccc(NC(=O)CC)c2)C1 ZINC001035392749 784435934 /nfs/dbraw/zinc/43/59/34/784435934.db2.gz VJAZYLNIEMXYSV-QGZVFWFLSA-N 1 2 345.443 2.042 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCN2c2ccccc2)C1 ZINC001035399478 784446060 /nfs/dbraw/zinc/44/60/60/784446060.db2.gz RVBJCIQWOHNFHA-RTBURBONSA-N 1 2 343.471 2.049 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCN2c2ccccc2)C1 ZINC001035399478 784446062 /nfs/dbraw/zinc/44/60/62/784446062.db2.gz RVBJCIQWOHNFHA-RTBURBONSA-N 1 2 343.471 2.049 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc3sccc3s2)C1 ZINC001035413447 784489060 /nfs/dbraw/zinc/48/90/60/784489060.db2.gz CNIBOYYTNOYJMO-LBPRGKRZSA-N 1 2 334.466 2.417 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc3sccc3s2)C1 ZINC001035413447 784489065 /nfs/dbraw/zinc/48/90/65/784489065.db2.gz CNIBOYYTNOYJMO-LBPRGKRZSA-N 1 2 334.466 2.417 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(-c3ccccc3)no2)C1 ZINC001035429853 784489397 /nfs/dbraw/zinc/48/93/97/784489397.db2.gz UHKANQFJUODZJS-INIZCTEOSA-N 1 2 341.411 2.348 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(-c3ccccc3)no2)C1 ZINC001035429853 784489400 /nfs/dbraw/zinc/48/94/00/784489400.db2.gz UHKANQFJUODZJS-INIZCTEOSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2csc(C(F)(F)F)c2)C1 ZINC001035432553 784517447 /nfs/dbraw/zinc/51/74/47/784517447.db2.gz JZNVXDBWKSXZQJ-LLVKDONJSA-N 1 2 334.363 2.384 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2csc(C(F)(F)F)c2)C1 ZINC001035432553 784517451 /nfs/dbraw/zinc/51/74/51/784517451.db2.gz JZNVXDBWKSXZQJ-LLVKDONJSA-N 1 2 334.363 2.384 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c(F)cc(F)cc2F)C1 ZINC001035489591 784575231 /nfs/dbraw/zinc/57/52/31/784575231.db2.gz RKKBUPKRYNRIRO-LBPRGKRZSA-N 1 2 328.334 2.111 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c(F)cc(F)cc2F)C1 ZINC001035489591 784575239 /nfs/dbraw/zinc/57/52/39/784575239.db2.gz RKKBUPKRYNRIRO-LBPRGKRZSA-N 1 2 328.334 2.111 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC001035464934 784586307 /nfs/dbraw/zinc/58/63/07/784586307.db2.gz BDDVUKOBFCODPS-CYBMUJFWSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC001035464934 784586312 /nfs/dbraw/zinc/58/63/12/784586312.db2.gz BDDVUKOBFCODPS-CYBMUJFWSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2scnc2C(C)(C)C)C1 ZINC001035538640 784642869 /nfs/dbraw/zinc/64/28/69/784642869.db2.gz RNVYPJZILKFCAF-ZDUSSCGKSA-N 1 2 337.489 2.447 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2scnc2C(C)(C)C)C1 ZINC001035538640 784642878 /nfs/dbraw/zinc/64/28/78/784642878.db2.gz RNVYPJZILKFCAF-ZDUSSCGKSA-N 1 2 337.489 2.447 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2-c2ccsc2)C1 ZINC001035561478 784735499 /nfs/dbraw/zinc/73/54/99/784735499.db2.gz PULZZKYIYOQFED-CQSZACIVSA-N 1 2 346.456 2.145 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2-c2ccsc2)C1 ZINC001035561478 784735507 /nfs/dbraw/zinc/73/55/07/784735507.db2.gz PULZZKYIYOQFED-CQSZACIVSA-N 1 2 346.456 2.145 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001035595850 784750221 /nfs/dbraw/zinc/75/02/21/784750221.db2.gz LRTAXUYHEWDMLU-WBVHZDCISA-N 1 2 334.847 2.373 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001035595850 784750225 /nfs/dbraw/zinc/75/02/25/784750225.db2.gz LRTAXUYHEWDMLU-WBVHZDCISA-N 1 2 334.847 2.373 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc3c(s2)CC[C@H](C)C3)C1 ZINC001035602310 784763749 /nfs/dbraw/zinc/76/37/49/784763749.db2.gz GGWFPDXUPYJYDK-DZGCQCFKSA-N 1 2 334.485 2.490 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc3c(s2)CC[C@H](C)C3)C1 ZINC001035602310 784763751 /nfs/dbraw/zinc/76/37/51/784763751.db2.gz GGWFPDXUPYJYDK-DZGCQCFKSA-N 1 2 334.485 2.490 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001106041515 791056643 /nfs/dbraw/zinc/05/66/43/791056643.db2.gz AIAOBSKGNLPOBU-AWEZNQCLSA-N 1 2 346.475 2.155 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCn3cncc3C1)CC2 ZINC001035734731 785042011 /nfs/dbraw/zinc/04/20/11/785042011.db2.gz DFIYNWCNAFBNNQ-OAHLLOKOSA-N 1 2 348.878 2.122 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N(C(C)=O)[C@H]2C[C@H]2C)cc1 ZINC000819099125 785401319 /nfs/dbraw/zinc/40/13/19/785401319.db2.gz QAHWLMMASNICSJ-CCKFTAQKSA-N 1 2 339.439 2.484 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N(C(C)=O)[C@H]2C[C@H]2C)cc1 ZINC000819099125 785401325 /nfs/dbraw/zinc/40/13/25/785401325.db2.gz QAHWLMMASNICSJ-CCKFTAQKSA-N 1 2 339.439 2.484 20 30 EEEDLO CC(C)(C)c1nnc(C[NH2+][C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)o1 ZINC000995791742 785718824 /nfs/dbraw/zinc/71/88/24/785718824.db2.gz MNABBGXXEJAFJD-AWEZNQCLSA-N 1 2 344.459 2.107 20 30 EEEDLO C=C(C)Cn1c(COC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000909244226 786102397 /nfs/dbraw/zinc/10/23/97/786102397.db2.gz PIHFKONHJDVIOS-UHFFFAOYSA-N 1 2 342.447 2.477 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CC(C)(C)CC(F)F)nn2)C1 ZINC001107185082 786258798 /nfs/dbraw/zinc/25/87/98/786258798.db2.gz JIAXLFNSEXADIM-UHFFFAOYSA-N 1 2 341.406 2.009 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)c3cccc(C)c3)nn2)C1 ZINC001107215208 786453744 /nfs/dbraw/zinc/45/37/44/786453744.db2.gz COVIICMPEBYGCS-HNNXBMFYSA-N 1 2 339.443 2.049 20 30 EEEDLO CC(C)c1nc(C[NH2+]C[C@@H]2[C@@H](C)CCCN2C(=O)C#CC2CC2)no1 ZINC001036550316 786647291 /nfs/dbraw/zinc/64/72/91/786647291.db2.gz SBUZWWUDLGIUJS-GOEBONIOSA-N 1 2 344.459 2.323 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc([C@@H](C)OC)no1)C2 ZINC001111648506 786832841 /nfs/dbraw/zinc/83/28/41/786832841.db2.gz BHQWYGZTQHFHHT-GLJUWKHASA-N 1 2 348.447 2.214 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc([C@@H](C)OC)no1)C2 ZINC001111648506 786832848 /nfs/dbraw/zinc/83/28/48/786832848.db2.gz BHQWYGZTQHFHHT-GLJUWKHASA-N 1 2 348.447 2.214 20 30 EEEDLO C=CCOc1cccnc1C(=O)NC/C=C\CNc1cc[nH+]c(C)n1 ZINC001107334191 786880675 /nfs/dbraw/zinc/88/06/75/786880675.db2.gz WOKNOUKOCMHWDX-PLNGDYQASA-N 1 2 339.399 2.143 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)C1CC(Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001127041409 787381586 /nfs/dbraw/zinc/38/15/86/787381586.db2.gz MHSOJKPDPNKBRQ-WLYUNCDWSA-N 1 2 346.479 2.250 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001062255597 787726254 /nfs/dbraw/zinc/72/62/54/787726254.db2.gz BKINPNMPWMKNSY-MRXNPFEDSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001062255597 787726259 /nfs/dbraw/zinc/72/62/59/787726259.db2.gz BKINPNMPWMKNSY-MRXNPFEDSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001062316101 787878350 /nfs/dbraw/zinc/87/83/50/787878350.db2.gz OABZJHGUCACMBV-GDBMZVCRSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001062331299 787906056 /nfs/dbraw/zinc/90/60/56/787906056.db2.gz LGLJVSBHEYOQBE-QGZVFWFLSA-N 1 2 346.475 2.206 20 30 EEEDLO O=C(C#Cc1cccs1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000823904621 787974510 /nfs/dbraw/zinc/97/45/10/787974510.db2.gz KJNTYJWVMIPMEF-UHFFFAOYSA-N 1 2 340.448 2.248 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c3ccccc23)[C@@H](O)C1 ZINC001090752432 788073698 /nfs/dbraw/zinc/07/36/98/788073698.db2.gz UHFDLIKSTDAZIQ-IRXDYDNUSA-N 1 2 347.846 2.014 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c3ccccc23)[C@@H](O)C1 ZINC001090752432 788073708 /nfs/dbraw/zinc/07/37/08/788073708.db2.gz UHFDLIKSTDAZIQ-IRXDYDNUSA-N 1 2 347.846 2.014 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001090268842 788869294 /nfs/dbraw/zinc/86/92/94/788869294.db2.gz CFYQOEDOCZRBMF-GOEBONIOSA-N 1 2 332.448 2.274 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1OC ZINC001090937633 789089728 /nfs/dbraw/zinc/08/97/28/789089728.db2.gz WAAMQFIZTPDWKI-HZPDHXFCSA-N 1 2 344.459 2.339 20 30 EEEDLO C=C1CC(C)(C(=O)NC2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC000946873204 789104740 /nfs/dbraw/zinc/10/47/40/789104740.db2.gz XRETUYIXVDRELQ-CQSZACIVSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CC(C)(C(=O)NC2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000946873204 789104746 /nfs/dbraw/zinc/10/47/46/789104746.db2.gz XRETUYIXVDRELQ-CQSZACIVSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC(OC2C[NH+](CCOCC)C2)CC1 ZINC001105721814 789251824 /nfs/dbraw/zinc/25/18/24/789251824.db2.gz KYCDEXXGNLLVAB-LJQANCHMSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCCOCCCCC(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001127129443 789584890 /nfs/dbraw/zinc/58/48/90/789584890.db2.gz RVMXBLMUCFZYPJ-CQSZACIVSA-N 1 2 338.452 2.162 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCc2csc(C)n2)C1 ZINC001107947517 789694962 /nfs/dbraw/zinc/69/49/62/789694962.db2.gz MHVYNFTYESWLDT-SFHVURJKSA-N 1 2 349.500 2.005 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCc2csc(C)n2)C1 ZINC001107947517 789694973 /nfs/dbraw/zinc/69/49/73/789694973.db2.gz MHVYNFTYESWLDT-SFHVURJKSA-N 1 2 349.500 2.005 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccn(C3CCCCC3)n2)C1 ZINC001107946222 789706283 /nfs/dbraw/zinc/70/62/83/789706283.db2.gz RKAOJPODNTXLFC-LJQANCHMSA-N 1 2 346.475 2.395 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccn(C3CCCCC3)n2)C1 ZINC001107946222 789706291 /nfs/dbraw/zinc/70/62/91/789706291.db2.gz RKAOJPODNTXLFC-LJQANCHMSA-N 1 2 346.475 2.395 20 30 EEEDLO C[C@@H](CC(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O)n1cc[nH+]c1 ZINC000845283656 789711214 /nfs/dbraw/zinc/71/12/14/789711214.db2.gz YLFOFNITSFMIHA-WCQYABFASA-N 1 2 344.396 2.116 20 30 EEEDLO N#Cc1cc(C(=O)NC2C[NH+](Cc3cccc4cccnc43)C2)c[nH]1 ZINC001030231340 789843873 /nfs/dbraw/zinc/84/38/73/789843873.db2.gz SYFXDAZRPKIENX-UHFFFAOYSA-N 1 2 331.379 2.049 20 30 EEEDLO CC[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001149207477 790064321 /nfs/dbraw/zinc/06/43/21/790064321.db2.gz OAABCEVXYVCHLH-RHSMWYFYSA-N 1 2 347.434 2.451 20 30 EEEDLO CC[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001149207477 790064326 /nfs/dbraw/zinc/06/43/26/790064326.db2.gz OAABCEVXYVCHLH-RHSMWYFYSA-N 1 2 347.434 2.451 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC1(NC(=O)CCn2cc[nH+]c2)CCC1 ZINC001063061453 790170219 /nfs/dbraw/zinc/17/02/19/790170219.db2.gz LBACGDOHZMJCRD-UHFFFAOYSA-N 1 2 332.448 2.031 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccnc2)CC2(CCOCC2)C1 ZINC001089918495 790215661 /nfs/dbraw/zinc/21/56/61/790215661.db2.gz NNBQMQMULVKYRL-MRXNPFEDSA-N 1 2 349.862 2.435 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccnc2)CC2(CCOCC2)C1 ZINC001089918495 790215663 /nfs/dbraw/zinc/21/56/63/790215663.db2.gz NNBQMQMULVKYRL-MRXNPFEDSA-N 1 2 349.862 2.435 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nn(C)c(C)c2Cl)[C@H]1C ZINC001088890096 791409943 /nfs/dbraw/zinc/40/99/43/791409943.db2.gz BMXREIBGACZSPW-KOLCDFICSA-N 1 2 331.247 2.327 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nn(C)c(C)c2Cl)[C@H]1C ZINC001088890096 791409948 /nfs/dbraw/zinc/40/99/48/791409948.db2.gz BMXREIBGACZSPW-KOLCDFICSA-N 1 2 331.247 2.327 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2c(C)cccc2C)C1 ZINC001107977020 791679067 /nfs/dbraw/zinc/67/90/67/791679067.db2.gz ZPQHXTBYXNLHRJ-FQEVSTJZSA-N 1 2 328.456 2.076 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2c(C)cccc2C)C1 ZINC001107977020 791679072 /nfs/dbraw/zinc/67/90/72/791679072.db2.gz ZPQHXTBYXNLHRJ-FQEVSTJZSA-N 1 2 328.456 2.076 20 30 EEEDLO C#CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccn(C(C)C)n1)C2 ZINC001147435572 791818730 /nfs/dbraw/zinc/81/87/30/791818730.db2.gz VOAOQCGZEIQHPK-UHFFFAOYSA-N 1 2 328.460 2.302 20 30 EEEDLO C#CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccn(C(C)C)n1)C2 ZINC001147435572 791818739 /nfs/dbraw/zinc/81/87/39/791818739.db2.gz VOAOQCGZEIQHPK-UHFFFAOYSA-N 1 2 328.460 2.302 20 30 EEEDLO Cc1nc(N[C@@H](C)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)cc[nH+]1 ZINC001063878329 791872604 /nfs/dbraw/zinc/87/26/04/791872604.db2.gz RXIICWORPQLWPH-GXTWGEPZSA-N 1 2 338.415 2.338 20 30 EEEDLO CCN(C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1)[C@@H]1CCCN(CC#N)CC1 ZINC000998047086 791883943 /nfs/dbraw/zinc/88/39/43/791883943.db2.gz PSQFQFYIHHPPEP-HZPDHXFCSA-N 1 2 343.475 2.050 20 30 EEEDLO CCN(C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1)[C@@H]1CCCN(CC#N)CC1 ZINC000998047086 791883947 /nfs/dbraw/zinc/88/39/47/791883947.db2.gz PSQFQFYIHHPPEP-HZPDHXFCSA-N 1 2 343.475 2.050 20 30 EEEDLO C=C(C)[C@H](CC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C)o1)C2)OCC ZINC001147647268 791896933 /nfs/dbraw/zinc/89/69/33/791896933.db2.gz PKJFUVNIVPXGNQ-INIZCTEOSA-N 1 2 347.459 2.389 20 30 EEEDLO C=C(C)[C@H](CC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C)o1)C2)OCC ZINC001147647268 791896936 /nfs/dbraw/zinc/89/69/36/791896936.db2.gz PKJFUVNIVPXGNQ-INIZCTEOSA-N 1 2 347.459 2.389 20 30 EEEDLO Cc1nc(NC[C@H]2[C@H](C)CCCN2C(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001063936449 791994947 /nfs/dbraw/zinc/99/49/47/791994947.db2.gz AVDPSEKFMVCMSN-WBMJQRKESA-N 1 2 338.415 2.338 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC2(C1)CC[N@H+](Cc1nccs1)C2 ZINC001147992854 792113545 /nfs/dbraw/zinc/11/35/45/792113545.db2.gz PBRLUDLMJWPXBR-KRWDZBQOSA-N 1 2 349.500 2.406 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC2(C1)CC[N@@H+](Cc1nccs1)C2 ZINC001147992854 792113554 /nfs/dbraw/zinc/11/35/54/792113554.db2.gz PBRLUDLMJWPXBR-KRWDZBQOSA-N 1 2 349.500 2.406 20 30 EEEDLO Cc1cc(-n2c(C)cn(C[N@@H+](C)Cc3ccc(C#N)cc3)c2=O)no1 ZINC000064110522 792152002 /nfs/dbraw/zinc/15/20/02/792152002.db2.gz QUUFPTMPNKYXTJ-UHFFFAOYSA-N 1 2 337.383 2.205 20 30 EEEDLO Cc1cc(-n2c(C)cn(C[N@H+](C)Cc3ccc(C#N)cc3)c2=O)no1 ZINC000064110522 792152008 /nfs/dbraw/zinc/15/20/08/792152008.db2.gz QUUFPTMPNKYXTJ-UHFFFAOYSA-N 1 2 337.383 2.205 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nnc(C)[nH]1)C2 ZINC001148146473 792187683 /nfs/dbraw/zinc/18/76/83/792187683.db2.gz DOIIZVPJMHSRGN-ZIAGYGMSSA-N 1 2 331.464 2.311 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nnc(C)[nH]1)C2 ZINC001148146473 792187692 /nfs/dbraw/zinc/18/76/92/792187692.db2.gz DOIIZVPJMHSRGN-ZIAGYGMSSA-N 1 2 331.464 2.311 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001091679950 792189465 /nfs/dbraw/zinc/18/94/65/792189465.db2.gz QDIIABQKGNOBHX-KGLIPLIRSA-N 1 2 342.447 2.369 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nnc(C)[nH]1)C2 ZINC001148125348 792200462 /nfs/dbraw/zinc/20/04/62/792200462.db2.gz MNVIPGXPOJZKTJ-HIFRSBDPSA-N 1 2 331.464 2.311 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nnc(C)[nH]1)C2 ZINC001148125348 792200464 /nfs/dbraw/zinc/20/04/64/792200464.db2.gz MNVIPGXPOJZKTJ-HIFRSBDPSA-N 1 2 331.464 2.311 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nnc(C)s1)C2 ZINC001148129740 792203999 /nfs/dbraw/zinc/20/39/99/792203999.db2.gz IBWSLEBHYYZSJI-CYBMUJFWSA-N 1 2 334.489 2.483 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(C)s1)C2 ZINC001148129740 792204004 /nfs/dbraw/zinc/20/40/04/792204004.db2.gz IBWSLEBHYYZSJI-CYBMUJFWSA-N 1 2 334.489 2.483 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C)cn1)C2 ZINC001148131236 792206356 /nfs/dbraw/zinc/20/63/56/792206356.db2.gz QZZDYYUQIVAGTO-INIZCTEOSA-N 1 2 328.460 2.422 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C)cn1)C2 ZINC001148131236 792206361 /nfs/dbraw/zinc/20/63/61/792206361.db2.gz QZZDYYUQIVAGTO-INIZCTEOSA-N 1 2 328.460 2.422 20 30 EEEDLO CN(CCCCCCNc1ccc(C#N)nc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001091742710 792641356 /nfs/dbraw/zinc/64/13/56/792641356.db2.gz PSNAPCWCWKWJAO-UHFFFAOYSA-N 1 2 340.431 2.350 20 30 EEEDLO CN(CCCCCCNc1ccc(C#N)cn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001091742880 792642023 /nfs/dbraw/zinc/64/20/23/792642023.db2.gz VYFZDRORSXVMJZ-UHFFFAOYSA-N 1 2 340.431 2.350 20 30 EEEDLO Cc1nc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)co1 ZINC001089151278 792799906 /nfs/dbraw/zinc/79/99/06/792799906.db2.gz XNOBACOUERRPRX-INIZCTEOSA-N 1 2 341.415 2.310 20 30 EEEDLO Cc1nc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)co1 ZINC001089151278 792799913 /nfs/dbraw/zinc/79/99/13/792799913.db2.gz XNOBACOUERRPRX-INIZCTEOSA-N 1 2 341.415 2.310 20 30 EEEDLO C=C1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@H+](Cc2cnn(C)n2)CC3)CC1 ZINC000992152283 792943340 /nfs/dbraw/zinc/94/33/40/792943340.db2.gz MWYCKTCFGWOPOL-PKOBYXMFSA-N 1 2 343.475 2.175 20 30 EEEDLO C=C1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](Cc2cnn(C)n2)CC3)CC1 ZINC000992152283 792943346 /nfs/dbraw/zinc/94/33/46/792943346.db2.gz MWYCKTCFGWOPOL-PKOBYXMFSA-N 1 2 343.475 2.175 20 30 EEEDLO N#Cc1cccnc1NCC1(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001089933788 792955356 /nfs/dbraw/zinc/95/53/56/792955356.db2.gz KTVATFVRRZBEIP-UHFFFAOYSA-N 1 2 338.415 2.008 20 30 EEEDLO Cc1nnc(C[NH+]2CCC3(C[C@@H](C)N(C(=O)[C@@H](C)C#N)C3)CC2)s1 ZINC001086908955 792958188 /nfs/dbraw/zinc/95/81/88/792958188.db2.gz LMXLPOAZOSQCSC-QWHCGFSZSA-N 1 2 347.488 2.209 20 30 EEEDLO C[C@H]1CC2(CN1C(=O)[C@H]1CCCc3[nH+]c[nH]c31)CCN(CC#N)CC2 ZINC001086942055 793034295 /nfs/dbraw/zinc/03/42/95/793034295.db2.gz HWGTWDIOQLPZMK-GJZGRUSLSA-N 1 2 341.459 2.056 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2csc(C)c2C)[C@@H](O)C1 ZINC001090292334 793569601 /nfs/dbraw/zinc/56/96/01/793569601.db2.gz OGXIDPBDRORIHT-KBPBESRZSA-N 1 2 328.865 2.282 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2csc(C)c2C)[C@@H](O)C1 ZINC001090292334 793569610 /nfs/dbraw/zinc/56/96/10/793569610.db2.gz OGXIDPBDRORIHT-KBPBESRZSA-N 1 2 328.865 2.282 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2c(C)cccc2C)[C@H](O)C1 ZINC001090299180 793596829 /nfs/dbraw/zinc/59/68/29/793596829.db2.gz AICZLQYOPFFCHN-IAGOWNOFSA-N 1 2 336.863 2.150 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2c(C)cccc2C)[C@H](O)C1 ZINC001090299180 793596839 /nfs/dbraw/zinc/59/68/39/793596839.db2.gz AICZLQYOPFFCHN-IAGOWNOFSA-N 1 2 336.863 2.150 20 30 EEEDLO C[C@@H]1C[C@H](Nc2cccc(F)c2C#N)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001064793056 793772136 /nfs/dbraw/zinc/77/21/36/793772136.db2.gz SARIPLFNAVYSNM-CHWSQXEVSA-N 1 2 341.390 2.455 20 30 EEEDLO Cc1nsc(N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)c1C#N ZINC001064793913 793775029 /nfs/dbraw/zinc/77/50/29/793775029.db2.gz ZCBLQWRRZKMQFE-ZYHUDNBSSA-N 1 2 344.444 2.080 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)oc1C)c1nccn12 ZINC001092348036 793820705 /nfs/dbraw/zinc/82/07/05/793820705.db2.gz MVLTVTXGMNBNEL-MRXNPFEDSA-N 1 2 338.411 2.002 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)nc2)[C@@H](O)C1 ZINC001090322635 793886323 /nfs/dbraw/zinc/88/63/23/793886323.db2.gz KJPWCFPGPBJGRB-CVEARBPZSA-N 1 2 337.851 2.123 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)nc2)[C@@H](O)C1 ZINC001090322635 793886334 /nfs/dbraw/zinc/88/63/34/793886334.db2.gz KJPWCFPGPBJGRB-CVEARBPZSA-N 1 2 337.851 2.123 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)c3c[nH]c(C)cc3=O)CCC[C@H]12 ZINC000992382845 793894958 /nfs/dbraw/zinc/89/49/58/793894958.db2.gz RDWNQXUMEWFKMV-RDJZCZTQSA-N 1 2 335.835 2.163 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)c3c[nH]c(C)cc3=O)CCC[C@H]12 ZINC000992382845 793894962 /nfs/dbraw/zinc/89/49/62/793894962.db2.gz RDWNQXUMEWFKMV-RDJZCZTQSA-N 1 2 335.835 2.163 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccoc1CC)c1nccn12 ZINC001092366092 793910051 /nfs/dbraw/zinc/91/00/51/793910051.db2.gz PKULHIWGACSIHF-CQSZACIVSA-N 1 2 326.400 2.110 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC13CC3)c1nccn12 ZINC001092374502 793917193 /nfs/dbraw/zinc/91/71/93/793917193.db2.gz CCKLWYIWWWSOPR-GJZGRUSLSA-N 1 2 326.444 2.221 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)ccc1C)c1nccn12 ZINC001092409503 793957822 /nfs/dbraw/zinc/95/78/22/793957822.db2.gz SMVJVSWLNNTAHQ-GOSISDBHSA-N 1 2 348.450 2.409 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C(F)F)o1)c1nccn12 ZINC001092410160 793959530 /nfs/dbraw/zinc/95/95/30/793959530.db2.gz HXKYCOSDHRUYRV-LLVKDONJSA-N 1 2 348.353 2.485 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC000999374785 794351625 /nfs/dbraw/zinc/35/16/25/794351625.db2.gz SAVSSGKCRGAAAL-HIFRSBDPSA-N 1 2 343.431 2.321 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Oc1ccccn1)C2 ZINC001109989472 806329106 /nfs/dbraw/zinc/32/91/06/806329106.db2.gz NGDAZMWIJLKRTH-XGUBFFRZSA-N 1 2 335.835 2.323 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Oc1ccccn1)C2 ZINC001109989472 806329116 /nfs/dbraw/zinc/32/91/16/806329116.db2.gz NGDAZMWIJLKRTH-XGUBFFRZSA-N 1 2 335.835 2.323 20 30 EEEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)C(F)F ZINC001079330720 794589413 /nfs/dbraw/zinc/58/94/13/794589413.db2.gz SNZVEDWUNQIQCN-BXUZGUMPSA-N 1 2 326.774 2.393 20 30 EEEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)C(F)F ZINC001079330720 794589415 /nfs/dbraw/zinc/58/94/15/794589415.db2.gz SNZVEDWUNQIQCN-BXUZGUMPSA-N 1 2 326.774 2.393 20 30 EEEDLO C=CCc1cc(OCC)cc(C[N@H+](C)CCS(=O)(=O)CC)c1O ZINC000152435276 794935034 /nfs/dbraw/zinc/93/50/34/794935034.db2.gz GNEZXHBOMRLHAG-UHFFFAOYSA-N 1 2 341.473 2.386 20 30 EEEDLO C=CCc1cc(OCC)cc(C[N@@H+](C)CCS(=O)(=O)CC)c1O ZINC000152435276 794935041 /nfs/dbraw/zinc/93/50/41/794935041.db2.gz GNEZXHBOMRLHAG-UHFFFAOYSA-N 1 2 341.473 2.386 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NCC1(Nc2cc[nH+]c(C)n2)CCCCC1 ZINC001093388569 795135202 /nfs/dbraw/zinc/13/52/02/795135202.db2.gz AJGYDGBWMVRWGB-QGZVFWFLSA-N 1 2 332.448 2.343 20 30 EEEDLO C#CCC1(C(=O)NC[C@]2(C)C[N@H+](CCC(F)(F)F)CCO2)CCC1 ZINC001107991169 795143655 /nfs/dbraw/zinc/14/36/55/795143655.db2.gz XTICEFPSRVWFHM-OAHLLOKOSA-N 1 2 346.393 2.340 20 30 EEEDLO C#CCC1(C(=O)NC[C@]2(C)C[N@@H+](CCC(F)(F)F)CCO2)CCC1 ZINC001107991169 795143661 /nfs/dbraw/zinc/14/36/61/795143661.db2.gz XTICEFPSRVWFHM-OAHLLOKOSA-N 1 2 346.393 2.340 20 30 EEEDLO 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/nfs/dbraw/zinc/73/77/76/795737776.db2.gz OMXXPPYCFHRABF-IUODEOHRSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3onc(C)c3c2)C1 ZINC001080234551 795740230 /nfs/dbraw/zinc/74/02/30/795740230.db2.gz HXPMEYQZJVAANK-YMTOWFKASA-N 1 2 334.807 2.334 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3onc(C)c3c2)C1 ZINC001080234551 795740238 /nfs/dbraw/zinc/74/02/38/795740238.db2.gz HXPMEYQZJVAANK-YMTOWFKASA-N 1 2 334.807 2.334 20 30 EEEDLO CCN(C(=O)c1c(C)cc(C)[nH+]c1C)C1CN(C(=O)C#CC(C)C)C1 ZINC001080236380 795742666 /nfs/dbraw/zinc/74/26/66/795742666.db2.gz PBENZZXHXKLZIT-UHFFFAOYSA-N 1 2 341.455 2.339 20 30 EEEDLO C=C(C)CCC(=O)NCCC1(CNc2[nH+]cnc3c2cnn3C)CC1 ZINC001089964453 795748080 /nfs/dbraw/zinc/74/80/80/795748080.db2.gz WZUKYZQRZAOTAA-UHFFFAOYSA-N 1 2 342.447 2.418 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CCCC[C@H]3C3CC3)nn2)C1 ZINC001094306870 796074655 /nfs/dbraw/zinc/07/46/55/796074655.db2.gz XBAFSDPKKOPCTA-ROUUACIJSA-N 1 2 343.475 2.153 20 30 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ZINC001080589820 796220875 /nfs/dbraw/zinc/22/08/75/796220875.db2.gz NKPNGWNLFSSPRD-XBVQOTNRSA-N 1 2 349.500 2.451 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2n[nH]c3c2C[C@@H](C)CC3)C1 ZINC001080696427 796330056 /nfs/dbraw/zinc/33/00/56/796330056.db2.gz VJBAVVTWCPQMNK-FIXISWKDSA-N 1 2 336.867 2.337 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2n[nH]c3c2C[C@@H](C)CC3)C1 ZINC001080696427 796330060 /nfs/dbraw/zinc/33/00/60/796330060.db2.gz VJBAVVTWCPQMNK-FIXISWKDSA-N 1 2 336.867 2.337 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001078527324 796575741 /nfs/dbraw/zinc/57/57/41/796575741.db2.gz PIBXWWFHWYAOMH-RRFJBIMHSA-N 1 2 346.475 2.137 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C[C@@H]3CCCC(C)(C)C3)CC2=O)C1 ZINC001094803480 796599854 /nfs/dbraw/zinc/59/98/54/796599854.db2.gz FVEYLUCVVVALHV-HOTGVXAUSA-N 1 2 347.503 2.180 20 30 EEEDLO Cc1nsc(NCCCNC(=O)C[C@@H](C)n2cc[nH+]c2)c1C#N ZINC001094824642 796647262 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ZINC001083750394 797763940 /nfs/dbraw/zinc/76/39/40/797763940.db2.gz UWYOMBAAPANZMJ-MSOLQXFVSA-N 1 2 332.419 2.233 20 30 EEEDLO Cc1cc(C#N)cc(C#N)c1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001174492578 797770138 /nfs/dbraw/zinc/77/01/38/797770138.db2.gz LMXQASATWMMEEY-UHFFFAOYSA-N 1 2 336.399 2.011 20 30 EEEDLO CSc1ccc(C[NH+]2CCN(c3nccnc3C#N)CC2)cc1 ZINC001204141873 797778963 /nfs/dbraw/zinc/77/89/63/797778963.db2.gz HBVXDGHPSVUTLP-UHFFFAOYSA-N 1 2 325.441 2.392 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2ccc(C)n2C)CC1 ZINC001002302747 797857047 /nfs/dbraw/zinc/85/70/47/797857047.db2.gz HACJGSJASXOYTG-UHFFFAOYSA-N 1 2 340.265 2.436 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC(C(C)(C)C)C1)C2 ZINC001110178146 797965121 /nfs/dbraw/zinc/96/51/21/797965121.db2.gz SKKOPROYPZUDCG-JWRYVHENSA-N 1 2 347.503 2.082 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC(C(C)(C)C)C1)C2 ZINC001110178146 797965126 /nfs/dbraw/zinc/96/51/26/797965126.db2.gz SKKOPROYPZUDCG-JWRYVHENSA-N 1 2 347.503 2.082 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001110183098 798040486 /nfs/dbraw/zinc/04/04/86/798040486.db2.gz KJCMXTLGYKUQKK-VZEFYGNVSA-N 1 2 333.407 2.033 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001110183098 798040492 /nfs/dbraw/zinc/04/04/92/798040492.db2.gz KJCMXTLGYKUQKK-VZEFYGNVSA-N 1 2 333.407 2.033 20 30 EEEDLO C=CC[N@@H+](Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)C(C)C ZINC000917167176 798124154 /nfs/dbraw/zinc/12/41/54/798124154.db2.gz YNIWVLDQPWKXON-UHFFFAOYSA-N 1 2 335.429 2.476 20 30 EEEDLO C=CC[N@H+](Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)C(C)C ZINC000917167176 798124156 /nfs/dbraw/zinc/12/41/56/798124156.db2.gz YNIWVLDQPWKXON-UHFFFAOYSA-N 1 2 335.429 2.476 20 30 EEEDLO CO[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21)C1CC1 ZINC001084316154 798142473 /nfs/dbraw/zinc/14/24/73/798142473.db2.gz UTQGYFRNNKYVRT-QRVBRYPASA-N 1 2 339.439 2.016 20 30 EEEDLO CO[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21)C1CC1 ZINC001084316154 798142476 /nfs/dbraw/zinc/14/24/76/798142476.db2.gz UTQGYFRNNKYVRT-QRVBRYPASA-N 1 2 339.439 2.016 20 30 EEEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)nn1 ZINC001084336109 798156090 /nfs/dbraw/zinc/15/60/90/798156090.db2.gz HNEHZHAOXZGMPT-IEBWSBKVSA-N 1 2 347.422 2.003 20 30 EEEDLO Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)nn1 ZINC001084336109 798156093 /nfs/dbraw/zinc/15/60/93/798156093.db2.gz HNEHZHAOXZGMPT-IEBWSBKVSA-N 1 2 347.422 2.003 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)Cc2cc(C)on2)CC1 ZINC001002490419 798168689 /nfs/dbraw/zinc/16/86/89/798168689.db2.gz SMQLEPIKRNWPDI-UHFFFAOYSA-N 1 2 342.237 2.015 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cnn4c3CCCC4)[C@@H]2C1 ZINC001084423929 798186825 /nfs/dbraw/zinc/18/68/25/798186825.db2.gz HUCOPPDRBNLXBV-RHSMWYFYSA-N 1 2 348.878 2.047 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cnn4c3CCCC4)[C@@H]2C1 ZINC001084423929 798186830 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1124161463 /nfs/dbraw/zinc/16/14/63/1124161463.db2.gz UYJIAYAKLUVUHI-WBVHZDCISA-N 1 2 341.455 2.195 20 30 EEEDLO O=C(N[C@H]1CCc2c[nH]nc2C1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000329887006 539785487 /nfs/dbraw/zinc/78/54/87/539785487.db2.gz WXAIQTZWAMCPMN-KRWDZBQOSA-N 1 2 340.427 2.104 20 30 EEEDLO C=C(C)C[N@@H+](CC)Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1CC ZINC000072817390 201175003 /nfs/dbraw/zinc/17/50/03/201175003.db2.gz YHYNUNVEQUXSFS-UHFFFAOYSA-N 1 2 347.463 2.104 20 30 EEEDLO C=C(C)C[N@H+](CC)Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1CC ZINC000072817390 201175006 /nfs/dbraw/zinc/17/50/06/201175006.db2.gz YHYNUNVEQUXSFS-UHFFFAOYSA-N 1 2 347.463 2.104 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CC(OC)C2)[C@H]1CC ZINC001087615641 781947508 /nfs/dbraw/zinc/94/75/08/781947508.db2.gz FNRFILICFSHFTC-CLRIEMFWSA-N 1 2 345.281 2.289 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CC(OC)C2)[C@H]1CC ZINC001087615641 781947518 /nfs/dbraw/zinc/94/75/18/781947518.db2.gz FNRFILICFSHFTC-CLRIEMFWSA-N 1 2 345.281 2.289 20 30 EEEDLO C#CC[N@@H+](CC)Cc1nc2cc(S(=O)(=O)N(CC)CC)ccc2[nH]1 ZINC000267334680 201222558 /nfs/dbraw/zinc/22/25/58/201222558.db2.gz REPUAFVIHOTYNB-UHFFFAOYSA-N 1 2 348.472 2.049 20 30 EEEDLO C#CC[N@H+](CC)Cc1nc2cc(S(=O)(=O)N(CC)CC)ccc2[nH]1 ZINC000267334680 201222562 /nfs/dbraw/zinc/22/25/62/201222562.db2.gz REPUAFVIHOTYNB-UHFFFAOYSA-N 1 2 348.472 2.049 20 30 EEEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000272316716 201251428 /nfs/dbraw/zinc/25/14/28/201251428.db2.gz ZOPTUVAOQFAIAR-HOCLYGCPSA-N 1 2 343.475 2.170 20 30 EEEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000272316716 201251431 /nfs/dbraw/zinc/25/14/31/201251431.db2.gz ZOPTUVAOQFAIAR-HOCLYGCPSA-N 1 2 343.475 2.170 20 30 EEEDLO C=CCCN(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000276452266 201294584 /nfs/dbraw/zinc/29/45/84/201294584.db2.gz PRXFPVRESCUMEJ-UHFFFAOYSA-N 1 2 326.400 2.424 20 30 EEEDLO COCC[N@H+](CC(=O)N1CCC[C@@H](C)C1)Cc1ccc(C#N)cc1 ZINC000069520981 203013432 /nfs/dbraw/zinc/01/34/32/203013432.db2.gz MNKUXHUUDRFDAI-MRXNPFEDSA-N 1 2 329.444 2.265 20 30 EEEDLO COCC[N@@H+](CC(=O)N1CCC[C@@H](C)C1)Cc1ccc(C#N)cc1 ZINC000069520981 203013436 /nfs/dbraw/zinc/01/34/36/203013436.db2.gz MNKUXHUUDRFDAI-MRXNPFEDSA-N 1 2 329.444 2.265 20 30 EEEDLO Cc1nc(CN2CC[NH+](CCOc3cccc(C#N)c3)CC2)oc1C ZINC000071847151 203128290 /nfs/dbraw/zinc/12/82/90/203128290.db2.gz ADPOCDLLVGXSFS-UHFFFAOYSA-N 1 2 340.427 2.360 20 30 EEEDLO CCOC(=O)C1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000075616738 203321468 /nfs/dbraw/zinc/32/14/68/203321468.db2.gz VNNQGPVXRFIPKC-UHFFFAOYSA-N 1 2 340.383 2.383 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H](O)c2ccc(Cl)cc2)n1 ZINC000491381596 246013093 /nfs/dbraw/zinc/01/30/93/246013093.db2.gz GEJHFFLQRHNZLA-SFHVURJKSA-N 1 2 347.846 2.352 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H](O)c2ccc(Cl)cc2)n1 ZINC000491381596 246013099 /nfs/dbraw/zinc/01/30/99/246013099.db2.gz GEJHFFLQRHNZLA-SFHVURJKSA-N 1 2 347.846 2.352 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(O)c(OCC)c2)n1 ZINC000491506972 246053831 /nfs/dbraw/zinc/05/38/31/246053831.db2.gz SBHUSRNFORBAJS-UHFFFAOYSA-N 1 2 343.427 2.269 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(O)c(OCC)c2)n1 ZINC000491506972 246053835 /nfs/dbraw/zinc/05/38/35/246053835.db2.gz SBHUSRNFORBAJS-UHFFFAOYSA-N 1 2 343.427 2.269 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(F)c1F ZINC000155656638 206024139 /nfs/dbraw/zinc/02/41/39/206024139.db2.gz AFSYVPYOQKJOAS-LBPRGKRZSA-N 1 2 329.354 2.337 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(F)c1F ZINC000155656638 206024144 /nfs/dbraw/zinc/02/41/44/206024144.db2.gz AFSYVPYOQKJOAS-LBPRGKRZSA-N 1 2 329.354 2.337 20 30 EEEDLO N#CCN1CCC(CNC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000492105457 246301386 /nfs/dbraw/zinc/30/13/86/246301386.db2.gz CBENEKKHVPIFCP-UTCJRWHESA-N 1 2 349.438 2.237 20 30 EEEDLO Cc1nc(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)ccc1C#N ZINC000265195175 247286541 /nfs/dbraw/zinc/28/65/41/247286541.db2.gz 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533185237 /nfs/dbraw/zinc/18/52/37/533185237.db2.gz CRCVUCWWGMJQET-UHFFFAOYSA-N 1 2 337.423 2.177 20 30 EEEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000191852428 533430818 /nfs/dbraw/zinc/43/08/18/533430818.db2.gz CKSJWEIJUWBVIU-FZMZJTMJSA-N 1 2 349.818 2.281 20 30 EEEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000191852428 533430825 /nfs/dbraw/zinc/43/08/25/533430825.db2.gz CKSJWEIJUWBVIU-FZMZJTMJSA-N 1 2 349.818 2.281 20 30 EEEDLO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1C ZINC000191806289 533438692 /nfs/dbraw/zinc/43/86/92/533438692.db2.gz IYHFKYLEVJMXFP-YDHLFZDLSA-N 1 2 329.400 2.016 20 30 EEEDLO COC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1C ZINC000191806289 533438695 /nfs/dbraw/zinc/43/86/95/533438695.db2.gz IYHFKYLEVJMXFP-YDHLFZDLSA-N 1 2 329.400 2.016 20 30 EEEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)C(N)=O)cc1 ZINC000115596997 152033869 /nfs/dbraw/zinc/03/38/69/152033869.db2.gz 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C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1nccs1 ZINC000344072416 161195900 /nfs/dbraw/zinc/19/59/00/161195900.db2.gz OMTRJKXOBVLCAQ-UHFFFAOYSA-N 1 2 330.413 2.102 20 30 EEEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1nccs1 ZINC000344072416 161195901 /nfs/dbraw/zinc/19/59/01/161195901.db2.gz OMTRJKXOBVLCAQ-UHFFFAOYSA-N 1 2 330.413 2.102 20 30 EEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)c2cscc2C#N)C1 ZINC000352887388 162330550 /nfs/dbraw/zinc/33/05/50/162330550.db2.gz JRFKNRAYDKZVAF-QGZVFWFLSA-N 1 2 349.456 2.156 20 30 EEEDLO C[C@@H]1C[NH+](CCN(C)C(=O)c2cc(C#N)ccc2Cl)C[C@@H](C)O1 ZINC000355489865 163207751 /nfs/dbraw/zinc/20/77/51/163207751.db2.gz HWHSJJFOBKSHCR-CHWSQXEVSA-N 1 2 335.835 2.393 20 30 EEEDLO CC[C@@H]1C[N@H+](CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCO1 ZINC000355572282 163234912 /nfs/dbraw/zinc/23/49/12/163234912.db2.gz TWCFDBULWGMNPL-QGZVFWFLSA-N 1 2 347.434 2.202 20 30 EEEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCO1 ZINC000355572282 163234917 /nfs/dbraw/zinc/23/49/17/163234917.db2.gz TWCFDBULWGMNPL-QGZVFWFLSA-N 1 2 347.434 2.202 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000364237609 165064362 /nfs/dbraw/zinc/06/43/62/165064362.db2.gz BOJOUVPQZUOBSG-OAHLLOKOSA-N 1 2 343.427 2.157 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCOC2(CCOCC2)CC1 ZINC000364237609 165064366 /nfs/dbraw/zinc/06/43/66/165064366.db2.gz BOJOUVPQZUOBSG-OAHLLOKOSA-N 1 2 343.427 2.157 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)CC2)cc1 ZINC000364503347 165162619 /nfs/dbraw/zinc/16/26/19/165162619.db2.gz OMFWCAUYSGUJCU-VQTJNVASSA-N 1 2 346.434 2.401 20 30 EEEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC000369809809 166335150 /nfs/dbraw/zinc/33/51/50/166335150.db2.gz GMDDMTNZCSKXBW-UHFFFAOYSA-N 1 2 327.428 2.210 20 30 EEEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC000369809809 166335152 /nfs/dbraw/zinc/33/51/52/166335152.db2.gz GMDDMTNZCSKXBW-UHFFFAOYSA-N 1 2 327.428 2.210 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000375314233 167110220 /nfs/dbraw/zinc/11/02/20/167110220.db2.gz LGAYNMGKRWLYHM-QGZVFWFLSA-N 1 2 348.468 2.223 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000375314233 167110223 /nfs/dbraw/zinc/11/02/23/167110223.db2.gz LGAYNMGKRWLYHM-QGZVFWFLSA-N 1 2 348.468 2.223 20 30 EEEDLO C[C@@H]1CN(c2cc(C(F)(F)F)cnc2C#N)C[C@H]1[NH+]1CCOCC1 ZINC000334061689 267061256 /nfs/dbraw/zinc/06/12/56/267061256.db2.gz YUEASTFZWKGPKM-IAQYHMDHSA-N 1 2 340.349 2.129 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(O)c1Cl ZINC000294467081 267065754 /nfs/dbraw/zinc/06/57/54/267065754.db2.gz ZGUAWAQVGYNBSQ-GFCCVEGCSA-N 1 2 343.818 2.418 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(O)c1Cl ZINC000294467081 267065756 /nfs/dbraw/zinc/06/57/56/267065756.db2.gz ZGUAWAQVGYNBSQ-GFCCVEGCSA-N 1 2 343.818 2.418 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ncc(C#N)cc3F)CC2)no1 ZINC000413252577 268076026 /nfs/dbraw/zinc/07/60/26/268076026.db2.gz XEDREYALUHHLET-AWEZNQCLSA-N 1 2 344.394 2.275 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ncc(C#N)cc3F)CC2)no1 ZINC000413252577 268076028 /nfs/dbraw/zinc/07/60/28/268076028.db2.gz XEDREYALUHHLET-AWEZNQCLSA-N 1 2 344.394 2.275 20 30 EEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000281010468 268088303 /nfs/dbraw/zinc/08/83/03/268088303.db2.gz VAQQLLFBLYWFSZ-IAGOWNOFSA-N 1 2 333.395 2.370 20 30 EEEDLO Cc1cc(C(=O)NCCCCn2cc[nH+]c2)nn1-c1cccc(C#N)c1 ZINC000540944584 318086662 /nfs/dbraw/zinc/08/66/62/318086662.db2.gz JNZKUQWSXTYCDY-UHFFFAOYSA-N 1 2 348.410 2.459 20 30 EEEDLO CC[C@H]1CN(C)CC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000565578049 319194869 /nfs/dbraw/zinc/19/48/69/319194869.db2.gz WMDYILFJIZEHEY-FUHWJXTLSA-N 1 2 326.444 2.080 20 30 EEEDLO CC[C@H]1CN(C)CC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000565578049 319194871 /nfs/dbraw/zinc/19/48/71/319194871.db2.gz WMDYILFJIZEHEY-FUHWJXTLSA-N 1 2 326.444 2.080 20 30 EEEDLO Cn1ccnc1[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000573784561 319965286 /nfs/dbraw/zinc/96/52/86/319965286.db2.gz MFXMJSSKBINCQV-KRWDZBQOSA-N 1 2 343.394 2.214 20 30 EEEDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccn1 ZINC000575214079 320096570 /nfs/dbraw/zinc/09/65/70/320096570.db2.gz VYCFQGXGAZNCIO-UHFFFAOYSA-N 1 2 344.440 2.033 20 30 EEEDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccn1 ZINC000575214079 320096572 /nfs/dbraw/zinc/09/65/72/320096572.db2.gz VYCFQGXGAZNCIO-UHFFFAOYSA-N 1 2 344.440 2.033 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCSC[C@H]2C2CC2)cc1 ZINC000581866084 324331110 /nfs/dbraw/zinc/33/11/10/324331110.db2.gz CCCPRBQTXVKHAW-INIZCTEOSA-N 1 2 336.482 2.159 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCSC[C@H]2C2CC2)cc1 ZINC000581866084 324331113 /nfs/dbraw/zinc/33/11/13/324331113.db2.gz CCCPRBQTXVKHAW-INIZCTEOSA-N 1 2 336.482 2.159 20 30 EEEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)ncc1C#N ZINC000603119792 450081276 /nfs/dbraw/zinc/08/12/76/450081276.db2.gz NXWNNDMQDOLCQY-UHFFFAOYSA-N 1 2 336.399 2.006 20 30 EEEDLO Cc1[nH]c2ccc(NC(=O)CNC(=O)c3ccc(C#N)cc3)cc2[nH+]1 ZINC000339164685 465118813 /nfs/dbraw/zinc/11/88/13/465118813.db2.gz KVHKDEHXGLHEAZ-UHFFFAOYSA-N 1 2 333.351 2.112 20 30 EEEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)C1 ZINC000328854921 465148569 /nfs/dbraw/zinc/14/85/69/465148569.db2.gz TUTUPPXPXNRHPA-NXEZZACHSA-N 1 2 331.367 2.371 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CCNC(C)=O)C1 ZINC000347669944 465159928 /nfs/dbraw/zinc/15/99/28/465159928.db2.gz XJZXUQRHSWUMFR-QAPCUYQASA-N 1 2 343.427 2.011 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CCNC(C)=O)C1 ZINC000347669944 465159930 /nfs/dbraw/zinc/15/99/30/465159930.db2.gz XJZXUQRHSWUMFR-QAPCUYQASA-N 1 2 343.427 2.011 20 30 EEEDLO C=C(CC)C[NH+]1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000358624581 465229598 /nfs/dbraw/zinc/22/95/98/465229598.db2.gz MNJLKZLSTHEBTF-UHFFFAOYSA-N 1 2 329.510 2.080 20 30 EEEDLO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2nc(-c3ccccc3OC)no2)C1=O ZINC000337214884 465247508 /nfs/dbraw/zinc/24/75/08/465247508.db2.gz XWCHNHKFVFSNMT-GXTWGEPZSA-N 1 2 342.399 2.183 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2cc(C)cc(C)c2)C1=O ZINC000337231775 465257825 /nfs/dbraw/zinc/25/78/25/465257825.db2.gz UXHQBYGTFPLXLZ-NVXWUHKLSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2cc(C)cc(C)c2)C1=O ZINC000337231775 465257830 /nfs/dbraw/zinc/25/78/30/465257830.db2.gz UXHQBYGTFPLXLZ-NVXWUHKLSA-N 1 2 329.444 2.349 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@H](C)[C@H](O)C2)c1C#N ZINC000351824174 465383112 /nfs/dbraw/zinc/38/31/12/465383112.db2.gz FDCNHXWSMLGLPX-YVEFUNNKSA-N 1 2 344.459 2.343 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@H](O)C2)c1C#N ZINC000351824174 465383117 /nfs/dbraw/zinc/38/31/17/465383117.db2.gz FDCNHXWSMLGLPX-YVEFUNNKSA-N 1 2 344.459 2.343 20 30 EEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000491020623 468287249 /nfs/dbraw/zinc/28/72/49/468287249.db2.gz HRUHALSKQRIACR-INIZCTEOSA-N 1 2 326.375 2.182 20 30 EEEDLO N#Cc1cc(F)c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(F)c1 ZINC000152620727 462557644 /nfs/dbraw/zinc/55/76/44/462557644.db2.gz FFPHBKWPUKOWSL-LBPRGKRZSA-N 1 2 328.322 2.240 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[NH+](CCOCC)CC1 ZINC000127626649 462570781 /nfs/dbraw/zinc/57/07/81/462570781.db2.gz ISPCGEGQCLZULD-UHFFFAOYSA-N 1 2 348.443 2.054 20 30 EEEDLO C=C(Br)C[N@H+]1CCCN(c2nccc(OCC)n2)CC1 ZINC000128515831 462646839 /nfs/dbraw/zinc/64/68/39/462646839.db2.gz FJNOXUGADDCVET-UHFFFAOYSA-N 1 2 341.253 2.296 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCN(c2nccc(OCC)n2)CC1 ZINC000128515831 462646845 /nfs/dbraw/zinc/64/68/45/462646845.db2.gz FJNOXUGADDCVET-UHFFFAOYSA-N 1 2 341.253 2.296 20 30 EEEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000075713695 462751851 /nfs/dbraw/zinc/75/18/51/462751851.db2.gz PDSYTODEDZEOQX-AWEZNQCLSA-N 1 2 338.411 2.217 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089970225 462757535 /nfs/dbraw/zinc/75/75/35/462757535.db2.gz LLGWNXSSABXTFF-LBPRGKRZSA-N 1 2 347.381 2.107 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130580958 462764551 /nfs/dbraw/zinc/76/45/51/462764551.db2.gz DRIHQXMQEAMIBG-UHFFFAOYSA-N 1 2 330.388 2.321 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130580958 462764560 /nfs/dbraw/zinc/76/45/60/462764560.db2.gz DRIHQXMQEAMIBG-UHFFFAOYSA-N 1 2 330.388 2.321 20 30 EEEDLO COc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1Cl ZINC000154766915 462806333 /nfs/dbraw/zinc/80/63/33/462806333.db2.gz AJNUMKUHIVYQAU-UHFFFAOYSA-N 1 2 337.851 2.396 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076182112 462818629 /nfs/dbraw/zinc/81/86/29/462818629.db2.gz ULMKIZUSYLPACZ-NXEZZACHSA-N 1 2 345.287 2.421 20 30 EEEDLO Cn1cc([C@@H]2C[N@H+](CC(=O)Nc3sccc3C#N)CC2(C)C)cn1 ZINC000568350551 468320487 /nfs/dbraw/zinc/32/04/87/468320487.db2.gz PGAKASSNTQVDOX-AWEZNQCLSA-N 1 2 343.456 2.417 20 30 EEEDLO Cn1cc([C@@H]2C[N@@H+](CC(=O)Nc3sccc3C#N)CC2(C)C)cn1 ZINC000568350551 468320493 /nfs/dbraw/zinc/32/04/93/468320493.db2.gz PGAKASSNTQVDOX-AWEZNQCLSA-N 1 2 343.456 2.417 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccnc(C4CC4)n3)CC2)cc1 ZINC000066371077 462881293 /nfs/dbraw/zinc/88/12/93/462881293.db2.gz DKXGBZUVNOZCLL-UHFFFAOYSA-N 1 2 347.422 2.184 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc(Br)o1 ZINC000076949708 462925981 /nfs/dbraw/zinc/92/59/81/462925981.db2.gz IGBDZXLITKWAGR-NSHDSACASA-N 1 2 342.237 2.482 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccc(Br)o1 ZINC000076949708 462925983 /nfs/dbraw/zinc/92/59/83/462925983.db2.gz IGBDZXLITKWAGR-NSHDSACASA-N 1 2 342.237 2.482 20 30 EEEDLO C#CCNC(=O)[C@H](C)Sc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000021911191 463043013 /nfs/dbraw/zinc/04/30/13/463043013.db2.gz LIEVISYLSPLUQP-LBPRGKRZSA-N 1 2 337.408 2.046 20 30 EEEDLO N#Cc1csc(C[N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 ZINC000093667413 463044572 /nfs/dbraw/zinc/04/45/72/463044572.db2.gz IYPIPVBIYLUCFF-OAHLLOKOSA-N 1 2 333.457 2.223 20 30 EEEDLO N#Cc1csc(C[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 ZINC000093667413 463044576 /nfs/dbraw/zinc/04/45/76/463044576.db2.gz IYPIPVBIYLUCFF-OAHLLOKOSA-N 1 2 333.457 2.223 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000156838547 463074108 /nfs/dbraw/zinc/07/41/08/463074108.db2.gz UQMSMSVSSCOXBG-OAHLLOKOSA-N 1 2 335.386 2.050 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000156838547 463074115 /nfs/dbraw/zinc/07/41/15/463074115.db2.gz UQMSMSVSSCOXBG-OAHLLOKOSA-N 1 2 335.386 2.050 20 30 EEEDLO C=CCNC(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638428 463097897 /nfs/dbraw/zinc/09/78/97/463097897.db2.gz QQFULPRRLIIKOH-ZFWWWQNUSA-N 1 2 329.227 2.186 20 30 EEEDLO C=CCNC(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638428 463097902 /nfs/dbraw/zinc/09/79/02/463097902.db2.gz QQFULPRRLIIKOH-ZFWWWQNUSA-N 1 2 329.227 2.186 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2cccs2)CC1 ZINC000121259991 463105312 /nfs/dbraw/zinc/10/53/12/463105312.db2.gz SEPYLOVFPWZHON-YOEHRIQHSA-N 1 2 334.489 2.313 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2nc(C)c(C)s2)CC1 ZINC000157542522 463141242 /nfs/dbraw/zinc/14/12/42/463141242.db2.gz AEUPLAGQCGEVRE-OAHLLOKOSA-N 1 2 348.516 2.471 20 30 EEEDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1cc(C(F)(F)F)cnc1C#N ZINC000582407263 468535650 /nfs/dbraw/zinc/53/56/50/468535650.db2.gz VNUJGTHZSOTOOU-LLVKDONJSA-N 1 2 327.354 2.020 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C\c1c(F)cccc1F ZINC000096256367 463230245 /nfs/dbraw/zinc/23/02/45/463230245.db2.gz VFYRIJZOEVPNAQ-WAYWQWQTSA-N 1 2 349.381 2.052 20 30 EEEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000158532399 463238953 /nfs/dbraw/zinc/23/89/53/463238953.db2.gz LGOFFFURUCUGNN-CYBMUJFWSA-N 1 2 339.399 2.392 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@H](O)C2)c1C#N ZINC000029121388 463242660 /nfs/dbraw/zinc/24/26/60/463242660.db2.gz YZPYQLINXRAXCG-INIZCTEOSA-N 1 2 344.459 2.487 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@H](O)C2)c1C#N ZINC000029121388 463242665 /nfs/dbraw/zinc/24/26/65/463242665.db2.gz YZPYQLINXRAXCG-INIZCTEOSA-N 1 2 344.459 2.487 20 30 EEEDLO CC(C)(C)c1csc(CN(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000122245241 463248943 /nfs/dbraw/zinc/24/89/43/463248943.db2.gz ULRMWEQSUCCSNH-UHFFFAOYSA-N 1 2 336.505 2.488 20 30 EEEDLO Cc1ccc(C)c(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000080160216 463289278 /nfs/dbraw/zinc/28/92/78/463289278.db2.gz MQWXLWCNQMYHQN-UHFFFAOYSA-N 1 2 330.432 2.383 20 30 EEEDLO CCOC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000031254905 463331112 /nfs/dbraw/zinc/33/11/12/463331112.db2.gz RPITVHYVDKPJDI-CYBMUJFWSA-N 1 2 335.429 2.366 20 30 EEEDLO CCOC(=O)[C@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000031254905 463331116 /nfs/dbraw/zinc/33/11/16/463331116.db2.gz RPITVHYVDKPJDI-CYBMUJFWSA-N 1 2 335.429 2.366 20 30 EEEDLO Cc1nc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1C#N ZINC000032354076 463372165 /nfs/dbraw/zinc/37/21/65/463372165.db2.gz MKJFVGRMMZPURU-UHFFFAOYSA-N 1 2 331.379 2.437 20 30 EEEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000081115735 463396294 /nfs/dbraw/zinc/39/62/94/463396294.db2.gz HGHIMXSRZZSYRU-VQTJNVASSA-N 1 2 346.434 2.401 20 30 EEEDLO C=CCOCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000161934708 463470166 /nfs/dbraw/zinc/47/01/66/463470166.db2.gz FDASZXPPNZJGRE-MOPGFXCFSA-N 1 2 344.455 2.081 20 30 EEEDLO C=CCOCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000161934708 463470173 /nfs/dbraw/zinc/47/01/73/463470173.db2.gz FDASZXPPNZJGRE-MOPGFXCFSA-N 1 2 344.455 2.081 20 30 EEEDLO N#CCc1ccc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000162622683 463525874 /nfs/dbraw/zinc/52/58/74/463525874.db2.gz DNHUDWJLFNSFAL-UHFFFAOYSA-N 1 2 335.411 2.497 20 30 EEEDLO CCn1cc(C[N@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cn1 ZINC000072981087 463570849 /nfs/dbraw/zinc/57/08/49/463570849.db2.gz BVTACDWUZKELNG-GFCCVEGCSA-N 1 2 329.404 2.444 20 30 EEEDLO CCn1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cn1 ZINC000072981087 463570853 /nfs/dbraw/zinc/57/08/53/463570853.db2.gz BVTACDWUZKELNG-GFCCVEGCSA-N 1 2 329.404 2.444 20 30 EEEDLO CCc1noc([C@@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000042652062 463584094 /nfs/dbraw/zinc/58/40/94/463584094.db2.gz SAHDSECXIXUTIK-CQSZACIVSA-N 1 2 325.416 2.382 20 30 EEEDLO C=CCC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)C(=O)OCC ZINC000590882541 468364618 /nfs/dbraw/zinc/36/46/18/468364618.db2.gz BTVOULDDBVJWPC-IRXDYDNUSA-N 1 2 345.443 2.060 20 30 EEEDLO C=CCC[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)C(=O)OCC ZINC000590882541 468364624 /nfs/dbraw/zinc/36/46/24/468364624.db2.gz BTVOULDDBVJWPC-IRXDYDNUSA-N 1 2 345.443 2.060 20 30 EEEDLO N#Cc1cccc(NCC(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000151977561 463625882 /nfs/dbraw/zinc/62/58/82/463625882.db2.gz DLVFUMXPZKRIMN-UHFFFAOYSA-N 1 2 335.411 2.282 20 30 EEEDLO N#CC1(CS(=O)(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CC1 ZINC000165215746 463641780 /nfs/dbraw/zinc/64/17/80/463641780.db2.gz QTLPHRUHMJXVLQ-UHFFFAOYSA-N 1 2 348.472 2.185 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2cc(C)ccn2)CC1 ZINC000166096759 463651197 /nfs/dbraw/zinc/65/11/97/463651197.db2.gz FRZJWNMCKYBSIF-QGZVFWFLSA-N 1 2 328.460 2.101 20 30 EEEDLO CCN(CCC#N)C(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255155484 463707647 /nfs/dbraw/zinc/70/76/47/463707647.db2.gz ZBCUSQQZZXQNFV-POHAHGRESA-N 1 2 340.471 2.080 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000255155484 463707654 /nfs/dbraw/zinc/70/76/54/463707654.db2.gz ZBCUSQQZZXQNFV-POHAHGRESA-N 1 2 340.471 2.080 20 30 EEEDLO C#CC[N@@H+](CN1CC(=O)N(C(C)C)C1=O)[C@H]1CCc2ccccc21 ZINC000171024232 463763180 /nfs/dbraw/zinc/76/31/80/463763180.db2.gz WAFXPJQCAVUUKT-KRWDZBQOSA-N 1 2 325.412 2.239 20 30 EEEDLO C#CC[N@H+](CN1CC(=O)N(C(C)C)C1=O)[C@H]1CCc2ccccc21 ZINC000171024232 463763186 /nfs/dbraw/zinc/76/31/86/463763186.db2.gz WAFXPJQCAVUUKT-KRWDZBQOSA-N 1 2 325.412 2.239 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)C)CC1 ZINC000283113395 463767769 /nfs/dbraw/zinc/76/77/69/463767769.db2.gz URRTVJWUGRHBHL-UHFFFAOYSA-N 1 2 338.459 2.060 20 30 EEEDLO Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(C#N)o2)[NH+]2CCCC2)o1 ZINC000287102634 463800543 /nfs/dbraw/zinc/80/05/43/463800543.db2.gz ZBCXTUTZJNFPEU-CQSZACIVSA-N 1 2 349.412 2.168 20 30 EEEDLO C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000287143647 463813191 /nfs/dbraw/zinc/81/31/91/463813191.db2.gz FXCMCCLGRGWUMI-UXHICEINSA-N 1 2 340.467 2.238 20 30 EEEDLO C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000287143647 463813195 /nfs/dbraw/zinc/81/31/95/463813195.db2.gz FXCMCCLGRGWUMI-UXHICEINSA-N 1 2 340.467 2.238 20 30 EEEDLO CCN(C(=O)[C@H](C)[NH+]1CCN(C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000185433100 463821499 /nfs/dbraw/zinc/82/14/99/463821499.db2.gz MLFKRUBZMXWNEQ-CVEARBPZSA-N 1 2 328.460 2.104 20 30 EEEDLO C=CCN(CC=C)C(=O)C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000283343558 463852958 /nfs/dbraw/zinc/85/29/58/463852958.db2.gz DIILAGDIFMSBKD-UHFFFAOYSA-N 1 2 329.444 2.220 20 30 EEEDLO C=CCN(CC=C)C(=O)C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000283343558 463852964 /nfs/dbraw/zinc/85/29/64/463852964.db2.gz DIILAGDIFMSBKD-UHFFFAOYSA-N 1 2 329.444 2.220 20 30 EEEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CSCC#N)CC2)c1 ZINC000171588067 463888092 /nfs/dbraw/zinc/88/80/92/463888092.db2.gz LIKAXNCBPAATEX-CQSZACIVSA-N 1 2 333.457 2.157 20 30 EEEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000590959241 468383893 /nfs/dbraw/zinc/38/38/93/468383893.db2.gz NOZAFEJCJFQGPT-JJRVBVJISA-N 1 2 340.427 2.422 20 30 EEEDLO N#CCCCS(=O)(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278848394 463997844 /nfs/dbraw/zinc/99/78/44/463997844.db2.gz WPBLCVGFBFAFJU-UHFFFAOYSA-N 1 2 336.461 2.032 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(CCCc3ccccc3)n2CC)CC1 ZINC000284008798 464066644 /nfs/dbraw/zinc/06/66/44/464066644.db2.gz NZOOTAKJSJCRKG-UHFFFAOYSA-N 1 2 337.471 2.229 20 30 EEEDLO O=C1C[C@@H](C/[NH+]=C/c2ccc(O)c(O)c2O)CN1Cc1ccccc1 ZINC000179366433 464119287 /nfs/dbraw/zinc/11/92/87/464119287.db2.gz WTDDCTKCHSJLEN-ANKPHQHTSA-N 1 2 340.379 2.271 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](CC)CC(=O)NCC ZINC000270785991 464266697 /nfs/dbraw/zinc/26/66/97/464266697.db2.gz QCPXEDSAJVUNNJ-AWEZNQCLSA-N 1 2 337.489 2.109 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](CC)CC(=O)NCC ZINC000270785991 464266699 /nfs/dbraw/zinc/26/66/99/464266699.db2.gz QCPXEDSAJVUNNJ-AWEZNQCLSA-N 1 2 337.489 2.109 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000280996709 464293308 /nfs/dbraw/zinc/29/33/08/464293308.db2.gz NMXJUZUCNBSNLR-RHSMWYFYSA-N 1 2 328.416 2.423 20 30 EEEDLO C=CCCCS(=O)(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000292906483 464377542 /nfs/dbraw/zinc/37/75/42/464377542.db2.gz GXGOCVTWMSBQKN-CYBMUJFWSA-N 1 2 328.503 2.380 20 30 EEEDLO C=CCCCS(=O)(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000292906483 464377546 /nfs/dbraw/zinc/37/75/46/464377546.db2.gz GXGOCVTWMSBQKN-CYBMUJFWSA-N 1 2 328.503 2.380 20 30 EEEDLO CC(C)[C@@H]1C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CCCO1 ZINC000292986612 464380129 /nfs/dbraw/zinc/38/01/29/464380129.db2.gz BUTUTAMQGFHLQP-CABCVRRESA-N 1 2 333.457 2.472 20 30 EEEDLO CC(C)[C@@H]1C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CCCO1 ZINC000292986612 464380136 /nfs/dbraw/zinc/38/01/36/464380136.db2.gz BUTUTAMQGFHLQP-CABCVRRESA-N 1 2 333.457 2.472 20 30 EEEDLO C=CCN1CC[C@@H]([NH2+][C@H](C)c2nc(Cc3ccccc3)no2)C1=O ZINC000281294599 464404343 /nfs/dbraw/zinc/40/43/43/464404343.db2.gz JLPHFGIBSRHZSL-UKRRQHHQSA-N 1 2 326.400 2.098 20 30 EEEDLO C=CCc1cc(C[NH+]2CC([C@H](F)C(=O)OCC)C2)cc(OC)c1O ZINC000294029867 464430520 /nfs/dbraw/zinc/43/05/20/464430520.db2.gz VPMOKMVGPJOSQU-INIZCTEOSA-N 1 2 337.391 2.462 20 30 EEEDLO CCOC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)[C@@H](C)CC ZINC000181628911 464516289 /nfs/dbraw/zinc/51/62/89/464516289.db2.gz YUYKZPYYPQGKOI-GUYCJALGSA-N 1 2 331.416 2.454 20 30 EEEDLO CC1(C)C[N@H+](CCNC(=O)c2cccc(SCC#N)c2)CCO1 ZINC000176037265 464684147 /nfs/dbraw/zinc/68/41/47/464684147.db2.gz SSMMSTLBIWWPBC-UHFFFAOYSA-N 1 2 333.457 2.143 20 30 EEEDLO CC1(C)C[N@@H+](CCNC(=O)c2cccc(SCC#N)c2)CCO1 ZINC000176037265 464684149 /nfs/dbraw/zinc/68/41/49/464684149.db2.gz SSMMSTLBIWWPBC-UHFFFAOYSA-N 1 2 333.457 2.143 20 30 EEEDLO CN1CCC[C@@H]([NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000547771196 468420148 /nfs/dbraw/zinc/42/01/48/468420148.db2.gz RKCNZGQVKYGFHN-IAGOWNOFSA-N 1 2 346.862 2.143 20 30 EEEDLO CCOc1cccc(/C=[NH+]/CCCOCCOCCOC)c1O ZINC000274441692 464746161 /nfs/dbraw/zinc/74/61/61/464746161.db2.gz IGYMIXQXZJFOGD-NBVRZTHBSA-N 1 2 325.405 2.280 20 30 EEEDLO C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000275632844 464782749 /nfs/dbraw/zinc/78/27/49/464782749.db2.gz CJWJIJNIQFGGOD-LLVKDONJSA-N 1 2 339.399 2.007 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2Cc2ccc(C#N)cc2F)O1 ZINC000282365971 464790625 /nfs/dbraw/zinc/79/06/25/464790625.db2.gz DQPBHIKYNWYVJY-FKSAFCJBSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2Cc2ccc(C#N)cc2F)O1 ZINC000282365971 464790630 /nfs/dbraw/zinc/79/06/30/464790630.db2.gz DQPBHIKYNWYVJY-FKSAFCJBSA-N 1 2 332.375 2.381 20 30 EEEDLO COc1ccc(F)cc1CN1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191184499 464792364 /nfs/dbraw/zinc/79/23/64/464792364.db2.gz RMQZIQDBUINCDJ-UHFFFAOYSA-N 1 2 342.418 2.362 20 30 EEEDLO COc1ccc(F)cc1C[NH+]1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191184499 464792367 /nfs/dbraw/zinc/79/23/67/464792367.db2.gz RMQZIQDBUINCDJ-UHFFFAOYSA-N 1 2 342.418 2.362 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2Cc2cc(C#N)ccc2F)O1 ZINC000282495880 464841434 /nfs/dbraw/zinc/84/14/34/464841434.db2.gz QICSSVAZQFPDIJ-FKSAFCJBSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2Cc2cc(C#N)ccc2F)O1 ZINC000282495880 464841443 /nfs/dbraw/zinc/84/14/43/464841443.db2.gz QICSSVAZQFPDIJ-FKSAFCJBSA-N 1 2 332.375 2.381 20 30 EEEDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000579902982 468429907 /nfs/dbraw/zinc/42/99/07/468429907.db2.gz BENSTOGHZGVQRT-KRWDZBQOSA-N 1 2 327.428 2.082 20 30 EEEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000579902982 468429913 /nfs/dbraw/zinc/42/99/13/468429913.db2.gz BENSTOGHZGVQRT-KRWDZBQOSA-N 1 2 327.428 2.082 20 30 EEEDLO O=C(NCCc1nnc2n1CCCC2)C1CC[NH+](CC(F)F)CC1 ZINC000329522511 465360773 /nfs/dbraw/zinc/36/07/73/465360773.db2.gz REFVDAQMJFXIFZ-UHFFFAOYSA-N 1 2 341.406 2.091 20 30 EEEDLO CCCCC[N@H+](CC(N)=O)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000356455951 465392660 /nfs/dbraw/zinc/39/26/60/465392660.db2.gz MJPDRZPVVDIMIG-UHFFFAOYSA-N 1 2 327.388 2.086 20 30 EEEDLO CCCCC[N@@H+](CC(N)=O)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000356455951 465392668 /nfs/dbraw/zinc/39/26/68/465392668.db2.gz MJPDRZPVVDIMIG-UHFFFAOYSA-N 1 2 327.388 2.086 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000337484613 465393320 /nfs/dbraw/zinc/39/33/20/465393320.db2.gz XVEDXWBVPSRNEB-GUYCJALGSA-N 1 2 332.404 2.470 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000337484613 465393323 /nfs/dbraw/zinc/39/33/23/465393323.db2.gz XVEDXWBVPSRNEB-GUYCJALGSA-N 1 2 332.404 2.470 20 30 EEEDLO Cc1cc2c(cc1NC(=O)N1CC[C@@H](c3[nH+]ccn3C)C1)OCO2 ZINC000329714982 465413594 /nfs/dbraw/zinc/41/35/94/465413594.db2.gz UHTMFWOLENOQTK-GFCCVEGCSA-N 1 2 328.372 2.492 20 30 EEEDLO C=CCn1c(C2CC2)nnc1N1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000554630785 468433932 /nfs/dbraw/zinc/43/39/32/468433932.db2.gz ODOWANALGBBLEF-UHFFFAOYSA-N 1 2 342.447 2.269 20 30 EEEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000329900096 465468981 /nfs/dbraw/zinc/46/89/81/465468981.db2.gz NKYAZFXXWLKJHZ-LPHOPBHVSA-N 1 2 332.444 2.374 20 30 EEEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000329900096 465468984 /nfs/dbraw/zinc/46/89/84/465468984.db2.gz NKYAZFXXWLKJHZ-LPHOPBHVSA-N 1 2 332.444 2.374 20 30 EEEDLO COc1c(O)cccc1C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000352618079 465542403 /nfs/dbraw/zinc/54/24/03/465542403.db2.gz LTLKIFGUZCWEAY-VBKZILBWSA-N 1 2 349.390 2.246 20 30 EEEDLO COc1c(O)cccc1C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000352618079 465542407 /nfs/dbraw/zinc/54/24/07/465542407.db2.gz LTLKIFGUZCWEAY-VBKZILBWSA-N 1 2 349.390 2.246 20 30 EEEDLO Cn1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000348315317 465545835 /nfs/dbraw/zinc/54/58/35/465545835.db2.gz IQVGYLCTADTDLB-KRWDZBQOSA-N 1 2 329.835 2.456 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1cnn(C(C)C)c1 ZINC000352922834 465569022 /nfs/dbraw/zinc/56/90/22/465569022.db2.gz SQLMTUCWWPGPHV-UHFFFAOYSA-N 1 2 329.448 2.405 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1cnn(C(C)C)c1 ZINC000352922834 465569028 /nfs/dbraw/zinc/56/90/28/465569028.db2.gz SQLMTUCWWPGPHV-UHFFFAOYSA-N 1 2 329.448 2.405 20 30 EEEDLO C=CCn1c(-c2ccccc2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000337822393 465607576 /nfs/dbraw/zinc/60/75/76/465607576.db2.gz SREINKFGJKNGRK-KRWDZBQOSA-N 1 2 339.443 2.042 20 30 EEEDLO CCN1CCN(C(=O)Nc2ccc(F)cc2OC)C[C@H]1c1[nH]cc[nH+]1 ZINC000330318657 465610695 /nfs/dbraw/zinc/61/06/95/465610695.db2.gz COKNJYZPPABGGJ-AWEZNQCLSA-N 1 2 347.394 2.482 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2cccc3c2OCO3)CCO1 ZINC000330331102 465614916 /nfs/dbraw/zinc/61/49/16/465614916.db2.gz NVWXKECAILLUBW-NHYWBVRUSA-N 1 2 344.371 2.395 20 30 EEEDLO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000330416398 465651178 /nfs/dbraw/zinc/65/11/78/465651178.db2.gz OCXPXOKFFVYWEE-ZDUSSCGKSA-N 1 2 332.423 2.123 20 30 EEEDLO C=CCCCN(C)C(=O)[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000345135716 465833181 /nfs/dbraw/zinc/83/31/81/465833181.db2.gz UNCWMHWNUQEOGJ-QAPCUYQASA-N 1 2 344.459 2.287 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)OC)n1)Cc1ccccc1 ZINC000345768762 465901235 /nfs/dbraw/zinc/90/12/35/465901235.db2.gz IREUNGYCUZTVBD-UHFFFAOYSA-N 1 2 339.395 2.495 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)OC)n1)Cc1ccccc1 ZINC000345768762 465901237 /nfs/dbraw/zinc/90/12/37/465901237.db2.gz IREUNGYCUZTVBD-UHFFFAOYSA-N 1 2 339.395 2.495 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000345937161 465916935 /nfs/dbraw/zinc/91/69/35/465916935.db2.gz DCKDAHFUSYRFMT-JKSUJKDBSA-N 1 2 335.473 2.077 20 30 EEEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000331423956 466078216 /nfs/dbraw/zinc/07/82/16/466078216.db2.gz IKSHCDUEOPWIEB-ZBFHGGJFSA-N 1 2 327.432 2.292 20 30 EEEDLO Cc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1Br ZINC000580305673 468474627 /nfs/dbraw/zinc/47/46/27/468474627.db2.gz PRUJZOWOBJLMKH-CYBMUJFWSA-N 1 2 326.238 2.376 20 30 EEEDLO Cc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1Br ZINC000580305673 468474631 /nfs/dbraw/zinc/47/46/31/468474631.db2.gz PRUJZOWOBJLMKH-CYBMUJFWSA-N 1 2 326.238 2.376 20 30 EEEDLO CCc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](CCCC#N)CC1 ZINC000346999682 466307099 /nfs/dbraw/zinc/30/70/99/466307099.db2.gz ZLJGXTPTOJEBAZ-INIZCTEOSA-N 1 2 329.444 2.464 20 30 EEEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000357918921 466318937 /nfs/dbraw/zinc/31/89/37/466318937.db2.gz BTAVOHIQULYFJX-ZIAGYGMSSA-N 1 2 331.416 2.259 20 30 EEEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000357918921 466318940 /nfs/dbraw/zinc/31/89/40/466318940.db2.gz BTAVOHIQULYFJX-ZIAGYGMSSA-N 1 2 331.416 2.259 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000591589709 468486996 /nfs/dbraw/zinc/48/69/96/468486996.db2.gz CLZZUDZPIDXXON-LJQANCHMSA-N 1 2 348.512 2.469 20 30 EEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1C ZINC000332235703 466461195 /nfs/dbraw/zinc/46/11/95/466461195.db2.gz NMZKWVCSIWTMIU-CYBMUJFWSA-N 1 2 345.447 2.176 20 30 EEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1C ZINC000332235703 466461200 /nfs/dbraw/zinc/46/12/00/466461200.db2.gz NMZKWVCSIWTMIU-CYBMUJFWSA-N 1 2 345.447 2.176 20 30 EEEDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000363925986 466656674 /nfs/dbraw/zinc/65/66/74/466656674.db2.gz XMUVOOCATVWPRE-CQSZACIVSA-N 1 2 329.429 2.437 20 30 EEEDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000363925986 466656681 /nfs/dbraw/zinc/65/66/81/466656681.db2.gz XMUVOOCATVWPRE-CQSZACIVSA-N 1 2 329.429 2.437 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372995097 466657804 /nfs/dbraw/zinc/65/78/04/466657804.db2.gz ADIJSYMQSNAAQE-SFHVURJKSA-N 1 2 338.411 2.437 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)s1 ZINC000368531347 466661218 /nfs/dbraw/zinc/66/12/18/466661218.db2.gz UUTNQIIVXAPFGH-UHFFFAOYSA-N 1 2 344.421 2.284 20 30 EEEDLO CCc1[nH+]c2ccccc2n1C1CCN(S(=O)(=O)[C@@H](C)C#N)CC1 ZINC000416450480 466734885 /nfs/dbraw/zinc/73/48/85/466734885.db2.gz MRTTXLRHABPPJD-ZDUSSCGKSA-N 1 2 346.456 2.477 20 30 EEEDLO COc1ccccc1O[C@H]1CCC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000375751545 466873042 /nfs/dbraw/zinc/87/30/42/466873042.db2.gz UAIWJBZCVMFZIJ-HNNXBMFYSA-N 1 2 343.427 2.101 20 30 EEEDLO COc1ccccc1O[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000375751545 466873044 /nfs/dbraw/zinc/87/30/44/466873044.db2.gz UAIWJBZCVMFZIJ-HNNXBMFYSA-N 1 2 343.427 2.101 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC34CCOCC4)CC2)cc1 ZINC000365824544 466952564 /nfs/dbraw/zinc/95/25/64/466952564.db2.gz HYRRCLUAXTWSCY-GOSISDBHSA-N 1 2 339.439 2.019 20 30 EEEDLO N#C[C@H]1CC[C@@H](NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000425429143 467093823 /nfs/dbraw/zinc/09/38/23/467093823.db2.gz YWLRSDFVPXFEGE-DLBZAZTESA-N 1 2 337.427 2.465 20 30 EEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000413243632 467195685 /nfs/dbraw/zinc/19/56/85/467195685.db2.gz DUMRMQYNKUBUSP-AEFFLSMTSA-N 1 2 331.460 2.194 20 30 EEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000413243632 467195689 /nfs/dbraw/zinc/19/56/89/467195689.db2.gz DUMRMQYNKUBUSP-AEFFLSMTSA-N 1 2 331.460 2.194 20 30 EEEDLO CC(C)(CC#N)CS(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000450961173 467216350 /nfs/dbraw/zinc/21/63/50/467216350.db2.gz UGEISFSEZAJCNS-UHFFFAOYSA-N 1 2 335.473 2.074 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCNC(=O)C1CCC1 ZINC000429541957 467344398 /nfs/dbraw/zinc/34/43/98/467344398.db2.gz QBCDGXLAMUYFQG-QGZVFWFLSA-N 1 2 343.427 2.011 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000429541957 467344403 /nfs/dbraw/zinc/34/44/03/467344403.db2.gz QBCDGXLAMUYFQG-QGZVFWFLSA-N 1 2 343.427 2.011 20 30 EEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433843067 467357889 /nfs/dbraw/zinc/35/78/89/467357889.db2.gz LOTCJWJQGKIUNO-UHFFFAOYSA-N 1 2 345.447 2.101 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(OCC(F)(F)F)cc1 ZINC000414144337 467382904 /nfs/dbraw/zinc/38/29/04/467382904.db2.gz OIAXYLXXZVMOAK-LBPRGKRZSA-N 1 2 332.322 2.213 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(OCC(F)(F)F)cc1 ZINC000414144337 467382905 /nfs/dbraw/zinc/38/29/05/467382905.db2.gz OIAXYLXXZVMOAK-LBPRGKRZSA-N 1 2 332.322 2.213 20 30 EEEDLO COc1cc(N2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)ncn1 ZINC000439453523 467567310 /nfs/dbraw/zinc/56/73/10/467567310.db2.gz KTIJQEZIYWMOKT-UHFFFAOYSA-N 1 2 343.818 2.332 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000457569166 467653893 /nfs/dbraw/zinc/65/38/93/467653893.db2.gz WOEJFPWESYQKKV-IRXDYDNUSA-N 1 2 349.500 2.467 20 30 EEEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000492752549 467739494 /nfs/dbraw/zinc/73/94/94/467739494.db2.gz ODGNYSCWQBQBAN-FQQSSWHASA-N 1 2 339.439 2.141 20 30 EEEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000492752549 467739497 /nfs/dbraw/zinc/73/94/97/467739497.db2.gz ODGNYSCWQBQBAN-FQQSSWHASA-N 1 2 339.439 2.141 20 30 EEEDLO C=CC(C)(C)CNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000458358213 467815213 /nfs/dbraw/zinc/81/52/13/467815213.db2.gz CFFWVMDZIKXVNX-SFHVURJKSA-N 1 2 345.487 2.441 20 30 EEEDLO C=C(C)CCNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000459024948 467938811 /nfs/dbraw/zinc/93/88/11/467938811.db2.gz QNGXEKGKYKVUQA-UHFFFAOYSA-N 1 2 327.432 2.128 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)C1=O ZINC000496328464 468170727 /nfs/dbraw/zinc/17/07/27/468170727.db2.gz RFDHBHNTFZORJT-AWEZNQCLSA-N 1 2 337.464 2.105 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)C1=O ZINC000496328464 468170731 /nfs/dbraw/zinc/17/07/31/468170731.db2.gz RFDHBHNTFZORJT-AWEZNQCLSA-N 1 2 337.464 2.105 20 30 EEEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000589903483 468194207 /nfs/dbraw/zinc/19/42/07/468194207.db2.gz VKLHEBSKLNKEIB-KRWDZBQOSA-N 1 2 345.399 2.162 20 30 EEEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000589903483 468194212 /nfs/dbraw/zinc/19/42/12/468194212.db2.gz VKLHEBSKLNKEIB-KRWDZBQOSA-N 1 2 345.399 2.162 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc1C#N ZINC000590012141 468204382 /nfs/dbraw/zinc/20/43/82/468204382.db2.gz XSIWCWNRHFJSFW-UHFFFAOYSA-N 1 2 333.395 2.156 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)N(Cc2ccco2)c2ccccc2)C1 ZINC000592146913 468636823 /nfs/dbraw/zinc/63/68/23/468636823.db2.gz GWOURLCQSBTECZ-LJQANCHMSA-N 1 2 339.395 2.163 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)N(Cc2ccco2)c2ccccc2)C1 ZINC000592146913 468636827 /nfs/dbraw/zinc/63/68/27/468636827.db2.gz GWOURLCQSBTECZ-LJQANCHMSA-N 1 2 339.395 2.163 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)cc1Br ZINC000592146240 468637572 /nfs/dbraw/zinc/63/75/72/468637572.db2.gz AMRLWCLZNFCBNJ-CQSZACIVSA-N 1 2 325.206 2.308 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)cc1Br ZINC000592146240 468637576 /nfs/dbraw/zinc/63/75/76/468637576.db2.gz AMRLWCLZNFCBNJ-CQSZACIVSA-N 1 2 325.206 2.308 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nsc2ccccc12 ZINC000595335668 468815752 /nfs/dbraw/zinc/81/57/52/468815752.db2.gz WURYZIVJVFMIJD-UHFFFAOYSA-N 1 2 330.457 2.344 20 30 EEEDLO C[C@@H]1CCN(S(=O)(=O)c2ccccc2CC#N)C[C@@H]1n1cc[nH+]c1 ZINC000601370464 468845745 /nfs/dbraw/zinc/84/57/45/468845745.db2.gz SFQWQNAGUZHYJC-ZBFHGGJFSA-N 1 2 344.440 2.221 20 30 EEEDLO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613941 468923381 /nfs/dbraw/zinc/92/33/81/468923381.db2.gz FYQVJBSRINLOIF-KBPBESRZSA-N 1 2 337.431 2.306 20 30 EEEDLO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613941 468923386 /nfs/dbraw/zinc/92/33/86/468923386.db2.gz FYQVJBSRINLOIF-KBPBESRZSA-N 1 2 337.431 2.306 20 30 EEEDLO N#Cc1ccc(CC(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)cc1 ZINC000601730917 468990521 /nfs/dbraw/zinc/99/05/21/468990521.db2.gz ZLDBIXIABSMRAF-UHFFFAOYSA-N 1 2 335.407 2.151 20 30 EEEDLO CCN(CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)[C@@H](C)C#N ZINC000595814757 469024792 /nfs/dbraw/zinc/02/47/92/469024792.db2.gz ISIOBKLKOARAOK-HNNXBMFYSA-N 1 2 348.878 2.218 20 30 EEEDLO C[C@@H](CCC#N)C[N@@H+]1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000602720422 469030531 /nfs/dbraw/zinc/03/05/31/469030531.db2.gz GFJGEUJAKJUCJR-WMLDXEAASA-N 1 2 336.457 2.403 20 30 EEEDLO C[C@@H](CCC#N)C[N@H+]1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000602720422 469030533 /nfs/dbraw/zinc/03/05/33/469030533.db2.gz GFJGEUJAKJUCJR-WMLDXEAASA-N 1 2 336.457 2.403 20 30 EEEDLO N#CC1(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCCC1 ZINC000601850071 469056739 /nfs/dbraw/zinc/05/67/39/469056739.db2.gz ARJDKHMVIOFMBM-UHFFFAOYSA-N 1 2 330.457 2.335 20 30 EEEDLO N#CCC[C@@H](C#N)C[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000562986606 469124151 /nfs/dbraw/zinc/12/41/51/469124151.db2.gz MYKMSFMFSUEFSS-LBPRGKRZSA-N 1 2 325.821 2.147 20 30 EEEDLO CN(Cc1ccc(C#N)cc1)c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000596074539 469141890 /nfs/dbraw/zinc/14/18/90/469141890.db2.gz GUPHFZVKCHHUFW-UHFFFAOYSA-N 1 2 337.427 2.336 20 30 EEEDLO CN(Cc1ccc(C#N)cc1)c1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000596074539 469141892 /nfs/dbraw/zinc/14/18/92/469141892.db2.gz GUPHFZVKCHHUFW-UHFFFAOYSA-N 1 2 337.427 2.336 20 30 EEEDLO C[C@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1ccc(C#N)cc1 ZINC000596166469 469183302 /nfs/dbraw/zinc/18/33/02/469183302.db2.gz ZGLKANGGDPQAJO-KFWWJZLASA-N 1 2 330.432 2.028 20 30 EEEDLO C[C@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1ccc(C#N)cc1 ZINC000596166469 469183307 /nfs/dbraw/zinc/18/33/07/469183307.db2.gz ZGLKANGGDPQAJO-KFWWJZLASA-N 1 2 330.432 2.028 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000603013779 469221470 /nfs/dbraw/zinc/22/14/70/469221470.db2.gz JDZGKRVTZXQRKB-DNVCBOLYSA-N 1 2 346.450 2.391 20 30 EEEDLO CC(C)[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)C(=O)OC(C)(C)C ZINC000599359797 469226581 /nfs/dbraw/zinc/22/65/81/469226581.db2.gz UZFUCQMRXNCOGH-RDJZCZTQSA-N 1 2 348.443 2.254 20 30 EEEDLO COc1cc(C)nc(N2CC[NH+](Cc3cccc(C#N)c3F)CC2)n1 ZINC000611371587 469236610 /nfs/dbraw/zinc/23/66/10/469236610.db2.gz YVNXDYPEQFVDQV-UHFFFAOYSA-N 1 2 341.390 2.127 20 30 EEEDLO COc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)sc1Br ZINC000563626076 469242794 /nfs/dbraw/zinc/24/27/94/469242794.db2.gz PIJFEHDRUPVYAG-LBPRGKRZSA-N 1 2 346.250 2.093 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(OCc2ccccc2)cn1 ZINC000602333717 469286475 /nfs/dbraw/zinc/28/64/75/469286475.db2.gz OSSGIVBBTFRATO-IBGZPJMESA-N 1 2 338.411 2.234 20 30 EEEDLO COCc1cc(C#N)ccc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000603272126 469331395 /nfs/dbraw/zinc/33/13/95/469331395.db2.gz KLXOTFOCTJLKFF-UHFFFAOYSA-N 1 2 326.400 2.323 20 30 EEEDLO CCc1nsc(N2CCC[N@H+](Cc3cccc(C#N)n3)CC2)n1 ZINC000602487940 469337753 /nfs/dbraw/zinc/33/77/53/469337753.db2.gz XISUBNDIDKMMJU-UHFFFAOYSA-N 1 2 328.445 2.079 20 30 EEEDLO CCc1nsc(N2CCC[N@@H+](Cc3cccc(C#N)n3)CC2)n1 ZINC000602487940 469337758 /nfs/dbraw/zinc/33/77/58/469337758.db2.gz XISUBNDIDKMMJU-UHFFFAOYSA-N 1 2 328.445 2.079 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000596703729 469338538 /nfs/dbraw/zinc/33/85/38/469338538.db2.gz STBSNFSADOQRKK-KGLIPLIRSA-N 1 2 346.431 2.188 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000596703729 469338541 /nfs/dbraw/zinc/33/85/41/469338541.db2.gz STBSNFSADOQRKK-KGLIPLIRSA-N 1 2 346.431 2.188 20 30 EEEDLO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612163130 469408965 /nfs/dbraw/zinc/40/89/65/469408965.db2.gz SBAMJRLKBBIIGP-LIRRHRJNSA-N 1 2 343.427 2.104 20 30 EEEDLO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612163130 469408968 /nfs/dbraw/zinc/40/89/68/469408968.db2.gz SBAMJRLKBBIIGP-LIRRHRJNSA-N 1 2 343.427 2.104 20 30 EEEDLO COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1OC ZINC000612165076 469409416 /nfs/dbraw/zinc/40/94/16/469409416.db2.gz KDLZUHQTGQZSHG-IBGZPJMESA-N 1 2 345.443 2.288 20 30 EEEDLO COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@](C)(C#N)C2)cc1OC ZINC000612165076 469409422 /nfs/dbraw/zinc/40/94/22/469409422.db2.gz KDLZUHQTGQZSHG-IBGZPJMESA-N 1 2 345.443 2.288 20 30 EEEDLO N#CC1(CS(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000613919822 469816317 /nfs/dbraw/zinc/81/63/17/469816317.db2.gz GXQNFLWTEICHSW-HNNXBMFYSA-N 1 2 336.461 2.324 20 30 EEEDLO C[C@@H]1COCC[N@@H+]1CCNc1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000609150178 469896264 /nfs/dbraw/zinc/89/62/64/469896264.db2.gz SNITWGCRGDDELZ-LLVKDONJSA-N 1 2 348.809 2.453 20 30 EEEDLO C[C@@H]1COCC[N@H+]1CCNc1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000609150178 469896269 /nfs/dbraw/zinc/89/62/69/469896269.db2.gz SNITWGCRGDDELZ-LLVKDONJSA-N 1 2 348.809 2.453 20 30 EEEDLO N#Cc1ccc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)nc1 ZINC000609564095 469940328 /nfs/dbraw/zinc/94/03/28/469940328.db2.gz GOHUCAXXFXHREW-KRWDZBQOSA-N 1 2 342.830 2.462 20 30 EEEDLO C=CCN(CC=C)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000642486454 470552581 /nfs/dbraw/zinc/55/25/81/470552581.db2.gz TYWWFFLAWQUZHW-UHFFFAOYSA-N 1 2 342.443 2.280 20 30 EEEDLO C=CCC[C@H]1NC(=O)N(Cc2cc[nH+]c(N3CCCCC3)c2)C1=O ZINC000642926799 470591980 /nfs/dbraw/zinc/59/19/80/470591980.db2.gz UBAQJRJSVOAXNQ-OAHLLOKOSA-N 1 2 328.416 2.459 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635889189 470798784 /nfs/dbraw/zinc/79/87/84/470798784.db2.gz IJNTZOWWEBQSJJ-CXAGYDPISA-N 1 2 327.384 2.289 20 30 EEEDLO C=CCCn1cc(C[NH2+]Cc2cccc(N3CCCC3=O)c2)nn1 ZINC000657309494 471093499 /nfs/dbraw/zinc/09/34/99/471093499.db2.gz DVNZQVGZFIXRGR-UHFFFAOYSA-N 1 2 325.416 2.271 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ccc(C)cc2F)nn1 ZINC000640909244 471113438 /nfs/dbraw/zinc/11/34/38/471113438.db2.gz KBBUFABGUTXVCT-ZDUSSCGKSA-N 1 2 329.379 2.038 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@H](CC(C)C)C(=O)Nc2nccs2)nn1 ZINC000657424103 471132636 /nfs/dbraw/zinc/13/26/36/471132636.db2.gz SNJJDIZGADVYID-CQSZACIVSA-N 1 2 348.476 2.454 20 30 EEEDLO C=CC[N@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)[C@H](C)COC ZINC000661243424 471687115 /nfs/dbraw/zinc/68/71/15/471687115.db2.gz LDKBWFIGEXSZFB-CQSZACIVSA-N 1 2 342.461 2.087 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)[C@H](C)COC ZINC000661243424 471687120 /nfs/dbraw/zinc/68/71/20/471687120.db2.gz LDKBWFIGEXSZFB-CQSZACIVSA-N 1 2 342.461 2.087 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)C1CC1 ZINC000557491807 485560404 /nfs/dbraw/zinc/56/04/04/485560404.db2.gz KIXCRQVVHNOCEA-KRWDZBQOSA-N 1 2 346.394 2.359 20 30 EEEDLO C=CCOc1ccc(C[NH+]2CCC(S(C)(=O)=O)CC2)cc1OC ZINC000678277539 486608627 /nfs/dbraw/zinc/60/86/27/486608627.db2.gz AMOXRIRLAGDOMC-UHFFFAOYSA-N 1 2 339.457 2.269 20 30 EEEDLO C=CCN(Cc1ccccc1F)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000171749658 526363423 /nfs/dbraw/zinc/36/34/23/526363423.db2.gz JEJTXYPWUKJPFR-MRXNPFEDSA-N 1 2 348.466 2.159 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000378141650 526589335 /nfs/dbraw/zinc/58/93/35/526589335.db2.gz KZJGGMPWOKZFCC-AWEZNQCLSA-N 1 2 342.399 2.367 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000378141650 526589341 /nfs/dbraw/zinc/58/93/41/526589341.db2.gz KZJGGMPWOKZFCC-AWEZNQCLSA-N 1 2 342.399 2.367 20 30 EEEDLO CC(=O)Nc1ccc(S(=O)(=O)CCC[NH+]2CCC(C#N)CC2)cc1 ZINC000114716696 527022514 /nfs/dbraw/zinc/02/25/14/527022514.db2.gz PDVWAZGPZVDGQL-UHFFFAOYSA-N 1 2 349.456 2.044 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554485 527627624 /nfs/dbraw/zinc/62/76/24/527627624.db2.gz XRMGKDQCPYGAMR-QGZVFWFLSA-N 1 2 338.455 2.269 20 30 EEEDLO C=CCNC(=S)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000728177424 576480108 /nfs/dbraw/zinc/48/01/08/576480108.db2.gz DGOZRSFLMRSMMW-MRXNPFEDSA-N 1 2 333.501 2.270 20 30 EEEDLO C#C[C@H](Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCO1 ZINC000772255777 577260013 /nfs/dbraw/zinc/26/00/13/577260013.db2.gz KRLAUVLAUNUIAL-JKSUJKDBSA-N 1 2 338.367 2.375 20 30 EEEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@H](OCC4CC4)C3)c1=O)CCC2 ZINC000766634606 577522461 /nfs/dbraw/zinc/52/24/61/577522461.db2.gz MTOBXLPESKXQLI-INIZCTEOSA-N 1 2 327.428 2.057 20 30 EEEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@H](OCC4CC4)C3)c1=O)CCC2 ZINC000766634606 577522462 /nfs/dbraw/zinc/52/24/62/577522462.db2.gz MTOBXLPESKXQLI-INIZCTEOSA-N 1 2 327.428 2.057 20 30 EEEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000767877860 577546695 /nfs/dbraw/zinc/54/66/95/577546695.db2.gz XNCLCLJCFRUXLB-AWEZNQCLSA-N 1 2 339.208 2.475 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000767877860 577546696 /nfs/dbraw/zinc/54/66/96/577546696.db2.gz XNCLCLJCFRUXLB-AWEZNQCLSA-N 1 2 339.208 2.475 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2ccn(CCOC)c2c1 ZINC000771342765 577613895 /nfs/dbraw/zinc/61/38/95/577613895.db2.gz HKSZERLVXJQKDC-KRWDZBQOSA-N 1 2 325.412 2.324 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2ccn(CCOC)c2c1 ZINC000771342765 577613896 /nfs/dbraw/zinc/61/38/96/577613896.db2.gz HKSZERLVXJQKDC-KRWDZBQOSA-N 1 2 325.412 2.324 20 30 EEEDLO N#Cc1cccn(CN2CC[NH+](Cc3ccccc3Cl)CC2)c1=O ZINC000758242038 577619807 /nfs/dbraw/zinc/61/98/07/577619807.db2.gz WDNOWPGZSULWED-UHFFFAOYSA-N 1 2 342.830 2.149 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](CCCCO)CC2)c(Br)c1 ZINC000761228678 577679897 /nfs/dbraw/zinc/67/98/97/577679897.db2.gz QUIQTYYJYMQGAA-UHFFFAOYSA-N 1 2 338.249 2.215 20 30 EEEDLO CCn1nc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)c2ccccc21 ZINC000761831766 577689762 /nfs/dbraw/zinc/68/97/62/577689762.db2.gz UWUHHZPBADECIO-UHFFFAOYSA-N 1 2 332.371 2.478 20 30 EEEDLO COc1cc(C=NNc2ccc(-n3cc[nH+]c3)nn2)ccc1[N+](=O)[O-] ZINC000761856249 577690193 /nfs/dbraw/zinc/69/01/93/577690193.db2.gz ZSFDMDDFEQKJMC-UHFFFAOYSA-N 1 2 339.315 2.025 20 30 EEEDLO COCCn1c(C)cc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)c1C ZINC000761857062 577690231 /nfs/dbraw/zinc/69/02/31/577690231.db2.gz GODIDLGMRYSBMC-UHFFFAOYSA-N 1 2 339.403 2.173 20 30 EEEDLO C#CCNC(=O)C[NH2+][C@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000751564252 577755455 /nfs/dbraw/zinc/75/54/55/577755455.db2.gz WDFUSWNCKPCBIO-HXUWFJFHSA-N 1 2 338.407 2.132 20 30 EEEDLO C#C[C@@H](CC)NC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000753243934 577783778 /nfs/dbraw/zinc/78/37/78/577783778.db2.gz VVOOWUHNXNIFEQ-KRWDZBQOSA-N 1 2 329.444 2.243 20 30 EEEDLO Cc1[nH]c[nH+]c1C=NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000755644514 577828417 /nfs/dbraw/zinc/82/84/17/577828417.db2.gz FKONEAAAZVFLMA-UHFFFAOYSA-N 1 2 332.307 2.458 20 30 EEEDLO C[C@H]1C[NH+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@H](C)S1 ZINC000744411963 577897410 /nfs/dbraw/zinc/89/74/10/577897410.db2.gz BKQGXAPYNHQAGF-STQMWFEESA-N 1 2 328.441 2.246 20 30 EEEDLO CC1(C)CN=C(N2CC[NH+](CCOc3ccccc3C#N)CC2)S1 ZINC000746461899 577928133 /nfs/dbraw/zinc/92/81/33/577928133.db2.gz DFDKANTVVHBRMK-UHFFFAOYSA-N 1 2 344.484 2.436 20 30 EEEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C#Cc2ccccc2)CC1 ZINC000747360206 577942933 /nfs/dbraw/zinc/94/29/33/577942933.db2.gz PLTIJIJSJMPZNO-UHFFFAOYSA-N 1 2 347.418 2.064 20 30 EEEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C[C@@H]1CCOC1 ZINC000749847062 577982928 /nfs/dbraw/zinc/98/29/28/577982928.db2.gz JYONSMKNXAXYKW-QWHCGFSZSA-N 1 2 329.425 2.441 20 30 EEEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C[C@@H]1CCOC1 ZINC000749847062 577982929 /nfs/dbraw/zinc/98/29/29/577982929.db2.gz JYONSMKNXAXYKW-QWHCGFSZSA-N 1 2 329.425 2.441 20 30 EEEDLO C=CCCCCC[N@@H+](C)Cn1nc(C)n(CC(=O)N(C)C)c1=S ZINC000739885730 578071665 /nfs/dbraw/zinc/07/16/65/578071665.db2.gz RDVBOQWMQCCMFH-UHFFFAOYSA-N 1 2 339.509 2.446 20 30 EEEDLO C=CCCCCC[N@H+](C)Cn1nc(C)n(CC(=O)N(C)C)c1=S ZINC000739885730 578071666 /nfs/dbraw/zinc/07/16/66/578071666.db2.gz RDVBOQWMQCCMFH-UHFFFAOYSA-N 1 2 339.509 2.446 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC000969586677 675117435 /nfs/dbraw/zinc/11/74/35/675117435.db2.gz MJUFCXHDAPWSOU-OAHLLOKOSA-N 1 2 339.443 2.170 20 30 EEEDLO C[C@@H](NC(=O)[C@H]1CC1(F)F)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969633787 675138763 /nfs/dbraw/zinc/13/87/63/675138763.db2.gz SIBGWCJZODDKCW-QMTHXVAHSA-N 1 2 337.345 2.289 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC000969691544 675169027 /nfs/dbraw/zinc/16/90/27/675169027.db2.gz UKDIUSMXYODBTC-XYPHTWIQSA-N 1 2 349.862 2.348 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(Cn3cccn3)o2)C1 ZINC000969723633 675174420 /nfs/dbraw/zinc/17/44/20/675174420.db2.gz WCOJIQMVODCKPH-ZDUSSCGKSA-N 1 2 348.834 2.327 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc3nccnc32)C1 ZINC000970644629 676046161 /nfs/dbraw/zinc/04/61/61/676046161.db2.gz DMDDNPYCTCIJDJ-LBPRGKRZSA-N 1 2 330.819 2.432 20 30 EEEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC#C[C@H]1CCCCO1 ZINC000891115808 676073619 /nfs/dbraw/zinc/07/36/19/676073619.db2.gz HCXYUIAHCAFNPF-CYBMUJFWSA-N 1 2 347.365 2.312 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001006824219 676111596 /nfs/dbraw/zinc/11/15/96/676111596.db2.gz PEUJTAJNVAKYSS-ROUUACIJSA-N 1 2 327.428 2.208 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001006824219 676111599 /nfs/dbraw/zinc/11/15/99/676111599.db2.gz PEUJTAJNVAKYSS-ROUUACIJSA-N 1 2 327.428 2.208 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@H](C)c3ncc(C)o3)C2)nc1 ZINC000970762513 676131946 /nfs/dbraw/zinc/13/19/46/676131946.db2.gz FCHKZTGBYPIKQX-ZIAGYGMSSA-N 1 2 338.411 2.171 20 30 EEEDLO C=C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1)c1ccccc1 ZINC000970776143 676143755 /nfs/dbraw/zinc/14/37/55/676143755.db2.gz AKDKANQIUZFTPS-ZBFHGGJFSA-N 1 2 328.441 2.198 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000970789265 676152956 /nfs/dbraw/zinc/15/29/56/676152956.db2.gz LMNYXWWEMINMGK-LBPRGKRZSA-N 1 2 335.835 2.448 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(C(F)(F)F)ncn2)C1 ZINC000970138509 675560428 /nfs/dbraw/zinc/56/04/28/675560428.db2.gz KIVGGHOKBBKQIS-VIFPVBQESA-N 1 2 348.756 2.298 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ncoc2[C@@H]2CCCO2)C1 ZINC000970264405 675754513 /nfs/dbraw/zinc/75/45/13/675754513.db2.gz HVZCGYWLKIITLK-YPMHNXCESA-N 1 2 339.823 2.329 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2occc2-c2cnn(C)c2)C1 ZINC000970323839 675787507 /nfs/dbraw/zinc/78/75/07/675787507.db2.gz NXEZMULTGIVTQV-LBPRGKRZSA-N 1 2 348.834 2.483 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC000971067469 676350854 /nfs/dbraw/zinc/35/08/54/676350854.db2.gz GFOUWELKSHTIAP-NSHDSACASA-N 1 2 328.210 2.038 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC000971067469 676350856 /nfs/dbraw/zinc/35/08/56/676350856.db2.gz GFOUWELKSHTIAP-NSHDSACASA-N 1 2 328.210 2.038 20 30 EEEDLO C[N@H+](Cc1csc(C2CC2)n1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971513892 676607056 /nfs/dbraw/zinc/60/70/56/676607056.db2.gz QBFYTIREUZCKJJ-MRXNPFEDSA-N 1 2 329.469 2.467 20 30 EEEDLO C[N@@H+](Cc1csc(C2CC2)n1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971513892 676607057 /nfs/dbraw/zinc/60/70/57/676607057.db2.gz QBFYTIREUZCKJJ-MRXNPFEDSA-N 1 2 329.469 2.467 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC000971585303 676634799 /nfs/dbraw/zinc/63/47/99/676634799.db2.gz OBBSMGOFDCVQOD-QGZVFWFLSA-N 1 2 326.375 2.372 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC000971585303 676634801 /nfs/dbraw/zinc/63/48/01/676634801.db2.gz OBBSMGOFDCVQOD-QGZVFWFLSA-N 1 2 326.375 2.372 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC000971663502 676725820 /nfs/dbraw/zinc/72/58/20/676725820.db2.gz RBXDTYQWQUDGHF-SECBINFHSA-N 1 2 336.745 2.327 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC000971663502 676725821 /nfs/dbraw/zinc/72/58/21/676725821.db2.gz RBXDTYQWQUDGHF-SECBINFHSA-N 1 2 336.745 2.327 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@H]([N@@H+](C)[C@@H](C)c3ncc(C)o3)C2)c1 ZINC000972285841 678496055 /nfs/dbraw/zinc/49/60/55/678496055.db2.gz WWNHSIIKWBGTAI-YOEHRIQHSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@H]([N@H+](C)[C@@H](C)c3ncc(C)o3)C2)c1 ZINC000972285841 678496056 /nfs/dbraw/zinc/49/60/56/678496056.db2.gz WWNHSIIKWBGTAI-YOEHRIQHSA-N 1 2 338.411 2.267 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3c(C)cccc3C)C2)C1 ZINC000972400087 678687554 /nfs/dbraw/zinc/68/75/54/678687554.db2.gz RNHKXUJMXCMOBC-OAQYLSRUSA-N 1 2 340.467 2.173 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3c(C)cccc3C)C2)C1 ZINC000972400087 678687557 /nfs/dbraw/zinc/68/75/57/678687557.db2.gz RNHKXUJMXCMOBC-OAQYLSRUSA-N 1 2 340.467 2.173 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccnc3C3CC3)C2)C1 ZINC000972448710 678762592 /nfs/dbraw/zinc/76/25/92/678762592.db2.gz CBFDTXGIYFVMCG-LJQANCHMSA-N 1 2 327.428 2.062 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccnc3C3CC3)C2)C1 ZINC000972448710 678762594 /nfs/dbraw/zinc/76/25/94/678762594.db2.gz CBFDTXGIYFVMCG-LJQANCHMSA-N 1 2 327.428 2.062 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(C(F)F)cc3)C2)C1 ZINC000972462637 678794636 /nfs/dbraw/zinc/79/46/36/678794636.db2.gz IBJKCYGXGNXZEF-LJQANCHMSA-N 1 2 348.393 2.103 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(C(F)F)cc3)C2)C1 ZINC000972462637 678794639 /nfs/dbraw/zinc/79/46/39/678794639.db2.gz IBJKCYGXGNXZEF-LJQANCHMSA-N 1 2 348.393 2.103 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(F)cc(C)cc3F)C2)C1 ZINC000972461793 678796408 /nfs/dbraw/zinc/79/64/08/678796408.db2.gz XQTDBVOWMBSKDR-LJQANCHMSA-N 1 2 348.393 2.213 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(F)cc(C)cc3F)C2)C1 ZINC000972461793 678796411 /nfs/dbraw/zinc/79/64/11/678796411.db2.gz XQTDBVOWMBSKDR-LJQANCHMSA-N 1 2 348.393 2.213 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(F)c(C)c3)C2)C1 ZINC000972522706 679159205 /nfs/dbraw/zinc/15/92/05/679159205.db2.gz BBMCBEPZLAOJKN-IBGZPJMESA-N 1 2 330.403 2.074 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(F)c(C)c3)C2)C1 ZINC000972522706 679159209 /nfs/dbraw/zinc/15/92/09/679159209.db2.gz BBMCBEPZLAOJKN-IBGZPJMESA-N 1 2 330.403 2.074 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2c(C)n[nH]c2C)C1 ZINC000972559955 679288255 /nfs/dbraw/zinc/28/82/55/679288255.db2.gz MRJUFLZBDBBYAC-GFCCVEGCSA-N 1 2 341.253 2.081 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2c(C)n[nH]c2C)C1 ZINC000972559955 679288256 /nfs/dbraw/zinc/28/82/56/679288256.db2.gz MRJUFLZBDBBYAC-GFCCVEGCSA-N 1 2 341.253 2.081 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(OCC)c3)C2)C1 ZINC000972573440 679329780 /nfs/dbraw/zinc/32/97/80/679329780.db2.gz OXWOWUVBAJQFJG-FQEVSTJZSA-N 1 2 342.439 2.026 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(OCC)c3)C2)C1 ZINC000972573440 679329782 /nfs/dbraw/zinc/32/97/82/679329782.db2.gz OXWOWUVBAJQFJG-FQEVSTJZSA-N 1 2 342.439 2.026 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3[C@@H]4c5ccccc5C[C@H]34)C2)C1 ZINC000972585070 679359479 /nfs/dbraw/zinc/35/94/79/679359479.db2.gz GUIVMRGLPFRPJL-QEUVDIPISA-N 1 2 338.451 2.062 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3[C@@H]4c5ccccc5C[C@H]34)C2)C1 ZINC000972585070 679359480 /nfs/dbraw/zinc/35/94/80/679359480.db2.gz GUIVMRGLPFRPJL-QEUVDIPISA-N 1 2 338.451 2.062 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCc4ccccc43)C2)C1 ZINC000972600871 679406812 /nfs/dbraw/zinc/40/68/12/679406812.db2.gz DCBHIWWHIKCRHI-RXVVDRJESA-N 1 2 338.451 2.043 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCc4ccccc43)C2)C1 ZINC000972600871 679406814 /nfs/dbraw/zinc/40/68/14/679406814.db2.gz DCBHIWWHIKCRHI-RXVVDRJESA-N 1 2 338.451 2.043 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(CC)c(CC)o3)C2)C1 ZINC000972640686 679480553 /nfs/dbraw/zinc/48/05/53/679480553.db2.gz MWUNETALYNIPPQ-FQEVSTJZSA-N 1 2 344.455 2.345 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(CC)c(CC)o3)C2)C1 ZINC000972640686 679480555 /nfs/dbraw/zinc/48/05/55/679480555.db2.gz MWUNETALYNIPPQ-FQEVSTJZSA-N 1 2 344.455 2.345 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC000972667325 679549913 /nfs/dbraw/zinc/54/99/13/679549913.db2.gz NHPBXSPTDHQSPA-HXUWFJFHSA-N 1 2 337.423 2.108 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC000972667325 679549915 /nfs/dbraw/zinc/54/99/15/679549915.db2.gz NHPBXSPTDHQSPA-HXUWFJFHSA-N 1 2 337.423 2.108 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4cnccc43)C2)C1 ZINC000972673039 679577412 /nfs/dbraw/zinc/57/74/12/679577412.db2.gz DMASYFGAXPATHN-FQEVSTJZSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4cnccc43)C2)C1 ZINC000972673039 679577416 /nfs/dbraw/zinc/57/74/16/679577416.db2.gz DMASYFGAXPATHN-FQEVSTJZSA-N 1 2 337.423 2.338 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CC=C(C)CC3)C2)C1 ZINC000972685841 679600974 /nfs/dbraw/zinc/60/09/74/679600974.db2.gz WBGIOUVOCORWFY-UXHICEINSA-N 1 2 330.472 2.450 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CC=C(C)CC3)C2)C1 ZINC000972685841 679600975 /nfs/dbraw/zinc/60/09/75/679600975.db2.gz WBGIOUVOCORWFY-UXHICEINSA-N 1 2 330.472 2.450 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C34CC(C(C)(C)C)(C3)C4)C2)C1 ZINC000972697430 679625736 /nfs/dbraw/zinc/62/57/36/679625736.db2.gz WPCFXELJEMXZTK-MHJFOBGBSA-N 1 2 330.472 2.139 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C34CC(C(C)(C)C)(C3)C4)C2)C1 ZINC000972697430 679625739 /nfs/dbraw/zinc/62/57/39/679625739.db2.gz WPCFXELJEMXZTK-MHJFOBGBSA-N 1 2 330.472 2.139 20 30 EEEDLO Cc1ncncc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2C#N)CC1(C)C ZINC000972837289 679814916 /nfs/dbraw/zinc/81/49/16/679814916.db2.gz PYGZAERBWPJNIG-SFHVURJKSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1ncncc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2C#N)CC1(C)C ZINC000972837289 679814918 /nfs/dbraw/zinc/81/49/18/679814918.db2.gz PYGZAERBWPJNIG-SFHVURJKSA-N 1 2 349.438 2.297 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2cocn2)c(F)c1 ZINC001024362987 679879695 /nfs/dbraw/zinc/87/96/95/679879695.db2.gz SURKGFDRRDCCTG-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2cocn2)c(F)c1 ZINC001024362987 679879696 /nfs/dbraw/zinc/87/96/96/679879696.db2.gz SURKGFDRRDCCTG-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)cs1 ZINC001024399835 679889940 /nfs/dbraw/zinc/88/99/40/679889940.db2.gz PHVXSMHZMNMPBM-INIZCTEOSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)cs1 ZINC001024399835 679889941 /nfs/dbraw/zinc/88/99/41/679889941.db2.gz PHVXSMHZMNMPBM-INIZCTEOSA-N 1 2 343.456 2.436 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001024562760 681197764 /nfs/dbraw/zinc/19/77/64/681197764.db2.gz MEXGFHSPHNYKBB-RBSFLKMASA-N 1 2 336.867 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001024562760 681197769 /nfs/dbraw/zinc/19/77/69/681197769.db2.gz MEXGFHSPHNYKBB-RBSFLKMASA-N 1 2 336.867 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001024618835 681286822 /nfs/dbraw/zinc/28/68/22/681286822.db2.gz YGARBLYYEREHBT-CABCVRRESA-N 1 2 341.883 2.109 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001024618835 681286824 /nfs/dbraw/zinc/28/68/24/681286824.db2.gz YGARBLYYEREHBT-CABCVRRESA-N 1 2 341.883 2.109 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cnnn2C)CC1 ZINC001024633829 681298876 /nfs/dbraw/zinc/29/88/76/681298876.db2.gz NRVWCGBIHJJCAY-INIZCTEOSA-N 1 2 331.464 2.032 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cnnn2C)CC1 ZINC001024633829 681298879 /nfs/dbraw/zinc/29/88/79/681298879.db2.gz NRVWCGBIHJJCAY-INIZCTEOSA-N 1 2 331.464 2.032 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cn2nccc2nc1C ZINC001024739090 681400023 /nfs/dbraw/zinc/40/00/23/681400023.db2.gz XTUQEBFSTFQENW-CQSZACIVSA-N 1 2 347.850 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn2nccc2nc1C ZINC001024739090 681400028 /nfs/dbraw/zinc/40/00/28/681400028.db2.gz XTUQEBFSTFQENW-CQSZACIVSA-N 1 2 347.850 2.375 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C2)n1 ZINC001059004773 681671204 /nfs/dbraw/zinc/67/12/04/681671204.db2.gz ZVIAXJDSXOJEFO-HNNXBMFYSA-N 1 2 346.394 2.236 20 30 EEEDLO Cc1ncoc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2C#N)CC1(C)C ZINC000972998103 681811482 /nfs/dbraw/zinc/81/14/82/681811482.db2.gz AZNIQMHBWZKLIT-INIZCTEOSA-N 1 2 338.411 2.495 20 30 EEEDLO Cc1ncoc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2C#N)CC1(C)C ZINC000972998103 681811487 /nfs/dbraw/zinc/81/14/87/681811487.db2.gz AZNIQMHBWZKLIT-INIZCTEOSA-N 1 2 338.411 2.495 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3cocn3)C2)ccc1F ZINC001006937086 681992782 /nfs/dbraw/zinc/99/27/82/681992782.db2.gz FGRQBKAOPAVBSB-CQSZACIVSA-N 1 2 328.347 2.080 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3cocn3)C2)ccc1F ZINC001006937086 681992788 /nfs/dbraw/zinc/99/27/88/681992788.db2.gz FGRQBKAOPAVBSB-CQSZACIVSA-N 1 2 328.347 2.080 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1Cc1nncs1 ZINC001025229559 682261699 /nfs/dbraw/zinc/26/16/99/682261699.db2.gz MDTLUJVXSFYSON-CVEARBPZSA-N 1 2 344.484 2.297 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@H]1[C@H]1CCC[N@H+]1Cc1nncs1 ZINC001025229559 682261701 /nfs/dbraw/zinc/26/17/01/682261701.db2.gz MDTLUJVXSFYSON-CVEARBPZSA-N 1 2 344.484 2.297 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2c(C)cc(=O)oc2C)C(C)(C)C1 ZINC000974798776 685561744 /nfs/dbraw/zinc/56/17/44/685561744.db2.gz QLYUNJHJMVCOAD-CYBMUJFWSA-N 1 2 338.835 2.449 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2c(C)cc(=O)oc2C)C(C)(C)C1 ZINC000974798776 685561748 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/nfs/dbraw/zinc/61/38/76/1230613876.db2.gz QMZCEMLSXZAPKW-KGLIPLIRSA-N 1 2 343.258 2.354 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc(Cl)cn1 ZINC001039445409 1230613878 /nfs/dbraw/zinc/61/38/78/1230613878.db2.gz QMZCEMLSXZAPKW-KGLIPLIRSA-N 1 2 343.258 2.354 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001067339330 1231468848 /nfs/dbraw/zinc/46/88/48/1231468848.db2.gz OHYCPWVWYOBNCX-OWCLPIDISA-N 1 2 344.459 2.097 20 30 EEEDLO Cc1cc(NC[C@@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)nc(C(C)C)[nH+]1 ZINC001041481364 1231561940 /nfs/dbraw/zinc/56/19/40/1231561940.db2.gz GVXAVNFTRJPZFH-DZGCQCFKSA-N 1 2 345.447 2.098 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3cnon3)[C@H]2C1 ZINC001042075238 1231870900 /nfs/dbraw/zinc/87/09/00/1231870900.db2.gz BDMJPFPZYYDDSP-JSGCOSHPSA-N 1 2 338.839 2.271 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3cnon3)[C@H]2C1 ZINC001042075238 1231870902 /nfs/dbraw/zinc/87/09/02/1231870902.db2.gz 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C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@H+](Cc4nnc(C)o4)[C@@H]3C2)C1 ZINC001042223825 1231966203 /nfs/dbraw/zinc/96/62/03/1231966203.db2.gz HDFUKRUHQCSSAM-LSDHHAIUSA-N 1 2 330.432 2.157 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3conc3COC)C[C@@H]21 ZINC001042310741 1232020976 /nfs/dbraw/zinc/02/09/76/1232020976.db2.gz XCVJZKJKBKLUSN-WFASDCNBSA-N 1 2 339.823 2.110 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3conc3COC)C[C@@H]21 ZINC001042310741 1232020979 /nfs/dbraw/zinc/02/09/79/1232020979.db2.gz XCVJZKJKBKLUSN-WFASDCNBSA-N 1 2 339.823 2.110 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3conc3COC)C[C@H]21 ZINC001042310740 1232021289 /nfs/dbraw/zinc/02/12/89/1232021289.db2.gz XCVJZKJKBKLUSN-SWLSCSKDSA-N 1 2 339.823 2.110 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3conc3COC)C[C@H]21 ZINC001042310740 1232021290 /nfs/dbraw/zinc/02/12/90/1232021290.db2.gz XCVJZKJKBKLUSN-SWLSCSKDSA-N 1 2 339.823 2.110 20 30 EEEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2cccc3cccnc32)C1 ZINC001042587326 1232113519 /nfs/dbraw/zinc/11/35/19/1232113519.db2.gz INAHYVWFCZZSLQ-UHFFFAOYSA-N 1 2 345.406 2.391 20 30 EEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)C1 ZINC001042717703 1232146481 /nfs/dbraw/zinc/14/64/81/1232146481.db2.gz TYTRNWUBNPTXPP-DOTOQJQBSA-N 1 2 330.428 2.136 20 30 EEEDLO C=CCn1cccc1C(=O)NCCCN(CC)c1cc[nH+]c(C)n1 ZINC001095981414 1232963360 /nfs/dbraw/zinc/96/33/60/1232963360.db2.gz VUDNSFMUFXLODV-UHFFFAOYSA-N 1 2 327.432 2.419 20 30 EEEDLO CC1(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)CCCCCC1 ZINC001046036968 1234355370 /nfs/dbraw/zinc/35/53/70/1234355370.db2.gz QZIWHHJREOETDL-KRWDZBQOSA-N 1 2 332.492 2.089 20 30 EEEDLO C[C@@]1(NC(=O)c2ccncc2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046100101 1234438248 /nfs/dbraw/zinc/43/82/48/1234438248.db2.gz ACSBIQGIDRHPPV-LJQANCHMSA-N 1 2 338.386 2.487 20 30 EEEDLO C[C@@]1(NC(=O)c2ccncc2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046100101 1234438251 /nfs/dbraw/zinc/43/82/51/1234438251.db2.gz ACSBIQGIDRHPPV-LJQANCHMSA-N 1 2 338.386 2.487 20 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2.488 20 30 EEEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c1 ZINC001232676446 1304211781 /nfs/dbraw/zinc/21/17/81/1304211781.db2.gz JXTADZCAMGZCQT-INIZCTEOSA-N 1 2 327.428 2.488 20 30 EEEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(Cc1ccc(C#N)s1)C2 ZINC001232842665 1304268049 /nfs/dbraw/zinc/26/80/49/1304268049.db2.gz BSWQJCHRPUYRKT-UHFFFAOYSA-N 1 2 344.488 2.457 20 30 EEEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(Cc1ccc(C#N)s1)C2 ZINC001232842665 1304268054 /nfs/dbraw/zinc/26/80/54/1304268054.db2.gz BSWQJCHRPUYRKT-UHFFFAOYSA-N 1 2 344.488 2.457 20 30 EEEDLO C[C@H](CC(=O)N(C)CCCN(C)c1ccncc1C#N)n1cc[nH+]c1 ZINC001112183946 1304305379 /nfs/dbraw/zinc/30/53/79/1304305379.db2.gz IWAYOFAANMTJEL-OAHLLOKOSA-N 1 2 340.431 2.086 20 30 EEEDLO Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3c2ccc(C)nn2)c(C#N)c1 ZINC001232965008 1304308266 /nfs/dbraw/zinc/30/82/66/1304308266.db2.gz IFNFLTSNZVENHP-MOPGFXCFSA-N 1 2 349.438 2.055 20 30 EEEDLO Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3c2ccc(C)nn2)c(C#N)c1 ZINC001232965008 1304308273 /nfs/dbraw/zinc/30/82/73/1304308273.db2.gz IFNFLTSNZVENHP-MOPGFXCFSA-N 1 2 349.438 2.055 20 30 EEEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ncc2O)C1 ZINC001233041587 1304340309 /nfs/dbraw/zinc/34/03/09/1304340309.db2.gz ZEPDNQDWBMZADQ-LBPRGKRZSA-N 1 2 325.796 2.317 20 30 EEEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ncc2O)C1 ZINC001233041587 1304340311 /nfs/dbraw/zinc/34/03/11/1304340311.db2.gz ZEPDNQDWBMZADQ-LBPRGKRZSA-N 1 2 325.796 2.317 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](Cc3c(O)ccc(F)c3F)CC2)c1 ZINC001233335111 1304435713 /nfs/dbraw/zinc/43/57/13/1304435713.db2.gz HQHBGVXDDJDJNR-UHFFFAOYSA-N 1 2 330.338 2.259 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC(O)(CNc2cc[nH+]c(C)n2)CC1 ZINC001112453263 1304558712 /nfs/dbraw/zinc/55/87/12/1304558712.db2.gz YASDYTPOLKMUCX-UHFFFAOYSA-N 1 2 332.448 2.153 20 30 EEEDLO CC[C@H](C)OCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001233728831 1304569038 /nfs/dbraw/zinc/56/90/38/1304569038.db2.gz CTJJNOOGYZHGCC-MAUKXSAKSA-N 1 2 329.444 2.406 20 30 EEEDLO CC[C@H](C)OCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001233728831 1304569043 /nfs/dbraw/zinc/56/90/43/1304569043.db2.gz CTJJNOOGYZHGCC-MAUKXSAKSA-N 1 2 329.444 2.406 20 30 EEEDLO C=CCCCC(=O)N[C@@H](C)CCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001115064044 1304645401 /nfs/dbraw/zinc/64/54/01/1304645401.db2.gz BQBYDMOAMUYRBF-ZDUSSCGKSA-N 1 2 334.468 2.299 20 30 EEEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N[C@@H](C)CCC(C)C ZINC001233948506 1304653104 /nfs/dbraw/zinc/65/31/04/1304653104.db2.gz WTBRVNMODDLREL-ZWKOTPCHSA-N 1 2 349.519 2.264 20 30 EEEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N[C@@H](C)CCC(C)C ZINC001233948506 1304653110 /nfs/dbraw/zinc/65/31/10/1304653110.db2.gz WTBRVNMODDLREL-ZWKOTPCHSA-N 1 2 349.519 2.264 20 30 EEEDLO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234205887 1304799664 /nfs/dbraw/zinc/79/96/64/1304799664.db2.gz MEELXZMIXRCOCP-HZPDHXFCSA-N 1 2 349.519 2.262 20 30 EEEDLO CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234205887 1304799668 /nfs/dbraw/zinc/79/96/68/1304799668.db2.gz MEELXZMIXRCOCP-HZPDHXFCSA-N 1 2 349.519 2.262 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1sccc1Cl ZINC001234214521 1304802482 /nfs/dbraw/zinc/80/24/82/1304802482.db2.gz BYMOCCPBWRZIHK-STQMWFEESA-N 1 2 340.876 2.473 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1sccc1Cl ZINC001234214521 1304802496 /nfs/dbraw/zinc/80/24/96/1304802496.db2.gz BYMOCCPBWRZIHK-STQMWFEESA-N 1 2 340.876 2.473 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cccc(Cl)c1 ZINC001234224023 1304806922 /nfs/dbraw/zinc/80/69/22/1304806922.db2.gz FFIUUWMPJMXLSD-WMLDXEAASA-N 1 2 334.847 2.411 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cccc(Cl)c1 ZINC001234224023 1304806926 /nfs/dbraw/zinc/80/69/26/1304806926.db2.gz FFIUUWMPJMXLSD-WMLDXEAASA-N 1 2 334.847 2.411 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000798274369 1304968975 /nfs/dbraw/zinc/96/89/75/1304968975.db2.gz CQQQILJTMUOCDX-OCCSQVGLSA-N 1 2 335.379 2.380 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(CC)CC(=C)C ZINC001234604712 1304982350 /nfs/dbraw/zinc/98/23/50/1304982350.db2.gz UGNGHIXPFURDJS-KRWDZBQOSA-N 1 2 335.492 2.300 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(CC)CC(=C)C ZINC001234604712 1304982354 /nfs/dbraw/zinc/98/23/54/1304982354.db2.gz UGNGHIXPFURDJS-KRWDZBQOSA-N 1 2 335.492 2.300 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnc(C)cn1)OCC ZINC001234645267 1304999119 /nfs/dbraw/zinc/99/91/19/1304999119.db2.gz ZROMRSWRYXBXPD-ZWKOTPCHSA-N 1 2 346.475 2.189 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnc(C)cn1)OCC ZINC001234645267 1304999124 /nfs/dbraw/zinc/99/91/24/1304999124.db2.gz ZROMRSWRYXBXPD-ZWKOTPCHSA-N 1 2 346.475 2.189 20 30 EEEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001235451481 1305236107 /nfs/dbraw/zinc/23/61/07/1305236107.db2.gz KIBLFXIPULJZSW-UHFFFAOYSA-N 1 2 334.445 2.301 20 30 EEEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001235451481 1305236111 /nfs/dbraw/zinc/23/61/11/1305236111.db2.gz KIBLFXIPULJZSW-UHFFFAOYSA-N 1 2 334.445 2.301 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)Cc1cncs1 ZINC001235600896 1305295285 /nfs/dbraw/zinc/29/52/85/1305295285.db2.gz IKBKWRHHZRNLQN-QGZVFWFLSA-N 1 2 339.464 2.270 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)Cc1cncs1 ZINC001235600896 1305295289 /nfs/dbraw/zinc/29/52/89/1305295289.db2.gz IKBKWRHHZRNLQN-QGZVFWFLSA-N 1 2 339.464 2.270 20 30 EEEDLO C[C@H]1CN(C2C[NH+](Cc3cn(C)c4ccc(C#N)cc34)C2)C[C@H](C)O1 ZINC001237471424 1305948722 /nfs/dbraw/zinc/94/87/22/1305948722.db2.gz DYCHTHPWWCBKTG-GJZGRUSLSA-N 1 2 338.455 2.343 20 30 EEEDLO C[C@H]1C[NH+](C2CN(Cc3cn(C)c4ccc(C#N)cc34)C2)C[C@H](C)O1 ZINC001237471424 1305948724 /nfs/dbraw/zinc/94/87/24/1305948724.db2.gz DYCHTHPWWCBKTG-GJZGRUSLSA-N 1 2 338.455 2.343 20 30 EEEDLO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3cn4cc(C#N)ccc4n3)C2)n1 ZINC001237611701 1306003280 /nfs/dbraw/zinc/00/32/80/1306003280.db2.gz RMXNEISOZJDLGQ-KRWDZBQOSA-N 1 2 348.410 2.348 20 30 EEEDLO Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3cn4cc(C#N)ccc4n3)C2)n1 ZINC001237611701 1306003295 /nfs/dbraw/zinc/00/32/95/1306003295.db2.gz RMXNEISOZJDLGQ-KRWDZBQOSA-N 1 2 348.410 2.348 20 30 EEEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cnc(F)c(OC)c3)C2)CC1 ZINC001238452530 1308880424 /nfs/dbraw/zinc/88/04/24/1308880424.db2.gz NDALEZOOPNXQJW-UHFFFAOYSA-N 1 2 349.406 2.450 20 30 EEEDLO N#CCC1CN(C(=O)[C@H]2CC23C[NH+](Cc2ccc(O)cc2Cl)C3)C1 ZINC001278273633 1308945337 /nfs/dbraw/zinc/94/53/37/1308945337.db2.gz ZYVGWWPKZMBZAN-OAHLLOKOSA-N 1 2 345.830 2.240 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)N2CCCCC2)cc1C#N ZINC001278301527 1309169857 /nfs/dbraw/zinc/16/98/57/1309169857.db2.gz WMZZQVUZQIECLT-CALCHBBNSA-N 1 2 341.459 2.151 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)N2CCCCC2)cc1C#N ZINC001278301527 1309169862 /nfs/dbraw/zinc/16/98/62/1309169862.db2.gz WMZZQVUZQIECLT-CALCHBBNSA-N 1 2 341.459 2.151 20 30 EEEDLO CN1CC[NH+](CCNc2ccc(-c3ccccc3CC#N)cn2)CC1 ZINC001241561384 1309508448 /nfs/dbraw/zinc/50/84/48/1309508448.db2.gz XFRYLYPOATUTNB-UHFFFAOYSA-N 1 2 335.455 2.474 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)C[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001120476470 1309569143 /nfs/dbraw/zinc/56/91/43/1309569143.db2.gz KLOXUZDEPSWLQP-GXTWGEPZSA-N 1 2 334.468 2.107 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)C[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001120561755 1309611396 /nfs/dbraw/zinc/61/13/96/1309611396.db2.gz KLHOKMDGUNLMKN-SJKOYZFVSA-N 1 2 330.436 2.224 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@H](C(F)F)C1 ZINC001121612195 1310070094 /nfs/dbraw/zinc/07/00/94/1310070094.db2.gz FUOOFEGKIKWEHR-CHWSQXEVSA-N 1 2 341.406 2.091 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@H](C(F)F)C1 ZINC001121612195 1310070107 /nfs/dbraw/zinc/07/01/07/1310070107.db2.gz FUOOFEGKIKWEHR-CHWSQXEVSA-N 1 2 341.406 2.091 20 30 EEEDLO C=C[C@H](CC(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001121633129 1310079060 /nfs/dbraw/zinc/07/90/60/1310079060.db2.gz HEVSGMQGVVIPMP-NVXWUHKLSA-N 1 2 340.427 2.034 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@H](CO)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001122379170 1310270828 /nfs/dbraw/zinc/27/08/28/1310270828.db2.gz SFSFMMXVDRVERL-HUUCEWRRSA-N 1 2 334.464 2.400 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H](CO)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001122457332 1310292114 /nfs/dbraw/zinc/29/21/14/1310292114.db2.gz JZEPLERPCNSDML-RDTXWAMCSA-N 1 2 334.464 2.400 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](COCC)C1 ZINC001122529356 1310320558 /nfs/dbraw/zinc/32/05/58/1310320558.db2.gz ASBSDDCRFLRMBR-HOTGVXAUSA-N 1 2 333.480 2.484 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@H](COCC)C1 ZINC001122529356 1310320562 /nfs/dbraw/zinc/32/05/62/1310320562.db2.gz ASBSDDCRFLRMBR-HOTGVXAUSA-N 1 2 333.480 2.484 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@@H](C)C[C@@H]1C ZINC001122566433 1310333602 /nfs/dbraw/zinc/33/36/02/1310333602.db2.gz GOERBNPHVUUSIT-HOTGVXAUSA-N 1 2 347.507 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/nfs/dbraw/zinc/60/35/86/1314603586.db2.gz LQFYGBHLBDZPNP-VKJFTORMSA-N 1 2 329.396 2.233 20 30 EEEDLO C#CCOc1ccc(C[N@@H+]2[C@H]3CC[C@H](C3)[C@H]2C(=O)OC)cc1OC ZINC001138347831 1314603592 /nfs/dbraw/zinc/60/35/92/1314603592.db2.gz LQFYGBHLBDZPNP-VKJFTORMSA-N 1 2 329.396 2.233 20 30 EEEDLO CSc1nc(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)ccc1C#N ZINC001141939473 1315393307 /nfs/dbraw/zinc/39/33/07/1315393307.db2.gz QWISNHDYSJIQOA-GVDBMIGSSA-N 1 2 345.468 2.301 20 30 EEEDLO CSc1nc(C[N@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)ccc1C#N ZINC001141939473 1315393312 /nfs/dbraw/zinc/39/33/12/1315393312.db2.gz QWISNHDYSJIQOA-GVDBMIGSSA-N 1 2 345.468 2.301 20 30 EEEDLO CSc1nc(C[N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)ccc1C#N ZINC001141945511 1315395749 /nfs/dbraw/zinc/39/57/49/1315395749.db2.gz BKTRSURBRGZSTH-AWEZNQCLSA-N 1 2 345.403 2.258 20 30 EEEDLO CSc1nc(C[N@H+]2CC[C@H](Oc3ncc(F)cn3)C2)ccc1C#N ZINC001141945511 1315395751 /nfs/dbraw/zinc/39/57/51/1315395751.db2.gz BKTRSURBRGZSTH-AWEZNQCLSA-N 1 2 345.403 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344.883 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](OC)C2CCCC2)C1 ZINC001150646164 1316328568 /nfs/dbraw/zinc/32/85/68/1316328568.db2.gz MTNOBFGUOPNHCQ-HZPDHXFCSA-N 1 2 344.883 2.151 20 30 EEEDLO C=CCCC(=O)NC1(CCOC)CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC001151014434 1316430576 /nfs/dbraw/zinc/43/05/76/1316430576.db2.gz MKCMNFGSXRRLMA-INIZCTEOSA-N 1 2 346.475 2.491 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001153012634 1316758900 /nfs/dbraw/zinc/75/89/00/1316758900.db2.gz OOFDKSYSQKGNED-AUUYWEPGSA-N 1 2 347.434 2.351 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001153012634 1316758903 /nfs/dbraw/zinc/75/89/03/1316758903.db2.gz OOFDKSYSQKGNED-AUUYWEPGSA-N 1 2 347.434 2.351 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C(C)(C)C)on1 ZINC001153327204 1316811827 /nfs/dbraw/zinc/81/18/27/1316811827.db2.gz MFWSCYNQTFMWSO-HUUCEWRRSA-N 1 2 349.475 2.337 20 30 EEEDLO 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C#CCCCC(=O)NCCC1=CC[N@H+]([C@H](C)c2nnc(CC)[nH]2)CC1 ZINC001159964454 1320035357 /nfs/dbraw/zinc/03/53/57/1320035357.db2.gz MEWNTRRZEDTIRF-OAHLLOKOSA-N 1 2 343.475 2.370 20 30 EEEDLO C#CCCCC(=O)NCCC1=CC[N@@H+]([C@H](C)c2nnc(CC)[nH]2)CC1 ZINC001159964454 1320035363 /nfs/dbraw/zinc/03/53/63/1320035363.db2.gz MEWNTRRZEDTIRF-OAHLLOKOSA-N 1 2 343.475 2.370 20 30 EEEDLO N#C/N=C1\SCCN1Cc1ccc(NCCCn2cc[nH+]c2)nc1 ZINC001161682809 1320586194 /nfs/dbraw/zinc/58/61/94/1320586194.db2.gz ZFZYMASQHCDHDY-PGMHBOJBSA-N 1 2 341.444 2.166 20 30 EEEDLO C=CCC[NH+]1CCC(CNC(=O)C(F)C(F)(F)F)(COC)CC1 ZINC001162283239 1320806166 /nfs/dbraw/zinc/80/61/66/1320806166.db2.gz RGQXNKDMPFVHBX-LBPRGKRZSA-N 1 2 340.361 2.308 20 30 EEEDLO C=CCC[NH+]1CCC(CNC(=O)[C@H](F)C(F)(F)F)(COC)CC1 ZINC001162283239 1320806172 /nfs/dbraw/zinc/80/61/72/1320806172.db2.gz RGQXNKDMPFVHBX-LBPRGKRZSA-N 1 2 340.361 2.308 20 30 EEEDLO N#Cc1ccnc(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c1F ZINC001165694024 1321567813 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C=C(C)COc1cc(C[NH2+]Cc2nc(N(C)C)n[nH]2)ccc1OC ZINC001308558600 1331599980 /nfs/dbraw/zinc/59/99/80/1331599980.db2.gz UFAFTRDNBYUDCI-UHFFFAOYSA-N 1 2 331.420 2.124 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC[C@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001317061289 1332065652 /nfs/dbraw/zinc/06/56/52/1332065652.db2.gz NWJMCYBMLUCBNA-HNAYVOBHSA-N 1 2 347.459 2.471 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC(OCC(F)F)C1 ZINC001343545899 1337336428 /nfs/dbraw/zinc/33/64/28/1337336428.db2.gz IZRCLRPFDKHNNG-ZDUSSCGKSA-N 1 2 341.406 2.091 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC(OCC(F)F)C1 ZINC001343545899 1337336431 /nfs/dbraw/zinc/33/64/31/1337336431.db2.gz IZRCLRPFDKHNNG-ZDUSSCGKSA-N 1 2 341.406 2.091 20 30 EEEDLO C=C(C)CCC(=O)N1CCCO[C@@H](C[NH2+][C@H](C)c2nnc(C)o2)C1 ZINC001200628675 1338480250 /nfs/dbraw/zinc/48/02/50/1338480250.db2.gz YRXSFHDWAXCAOK-HIFRSBDPSA-N 1 2 336.436 2.002 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC001566634689 1342587182 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C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1CC(C)(C)CC1=O ZINC001602857923 1350596980 /nfs/dbraw/zinc/59/69/80/1350596980.db2.gz GDLWSOLGEZKCBY-UHFFFAOYSA-N 1 2 340.431 2.071 20 30 EEEDLO N#CC1CCN(c2nnc(C[NH+]3CCCCC3)n2CC2CC2)CC1 ZINC001650521764 1353969082 /nfs/dbraw/zinc/96/90/82/1353969082.db2.gz DVCPCFHSTLEVTQ-UHFFFAOYSA-N 1 2 328.464 2.414 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2sccc2C)C1 ZINC001660991344 1354570473 /nfs/dbraw/zinc/57/04/73/1354570473.db2.gz IORRPPARIVYHNR-HNNXBMFYSA-N 1 2 349.500 2.220 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2sccc2C)C1 ZINC001660991344 1354570476 /nfs/dbraw/zinc/57/04/76/1354570476.db2.gz IORRPPARIVYHNR-HNNXBMFYSA-N 1 2 349.500 2.220 20 30 EEEDLO Cc1ccc(C[N@@H+]2CCO[C@@](C)(CNC(=O)[C@@H](C)C#N)C2)cc1F ZINC001107821219 1367585850 /nfs/dbraw/zinc/58/58/50/1367585850.db2.gz LCXNWRVXOWHTHZ-KSSFIOAISA-N 1 2 333.407 2.001 20 30 EEEDLO Cc1ccc(C[N@H+]2CCO[C@@](C)(CNC(=O)[C@@H](C)C#N)C2)cc1F ZINC001107821219 1367585854 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348.447 2.010 20 30 EEEDLO N#CCC1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853506125 1369341080 /nfs/dbraw/zinc/34/10/80/1369341080.db2.gz GRMGZLATWZYSKF-UHFFFAOYSA-N 1 2 326.360 2.436 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csnc3OC)C[C@H]21 ZINC001114326388 1369554202 /nfs/dbraw/zinc/55/42/02/1369554202.db2.gz QEBPTADOAZIOPJ-ZSHCYNCHSA-N 1 2 347.484 2.467 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csnc3OC)C[C@H]21 ZINC001114326388 1369554205 /nfs/dbraw/zinc/55/42/05/1369554205.db2.gz QEBPTADOAZIOPJ-ZSHCYNCHSA-N 1 2 347.484 2.467 20 30 EEEDLO C[C@@H]1OCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H]1C ZINC000139119803 1369683100 /nfs/dbraw/zinc/68/31/00/1369683100.db2.gz WFVYUDFNJBQIHD-KCQAQPDRSA-N 1 2 336.395 2.333 20 30 EEEDLO C[C@@H]1OCC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H]1C ZINC000139119803 1369683103 /nfs/dbraw/zinc/68/31/03/1369683103.db2.gz WFVYUDFNJBQIHD-KCQAQPDRSA-N 1 2 336.395 2.333 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2cocn2)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001071388763 1370496296 /nfs/dbraw/zinc/49/62/96/1370496296.db2.gz MDVWXHCJEAEAQM-WMLDXEAASA-N 1 2 341.386 2.448 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2cocn2)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC001071388763 1370496299 /nfs/dbraw/zinc/49/62/99/1370496299.db2.gz MDVWXHCJEAEAQM-WMLDXEAASA-N 1 2 341.386 2.448 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC001073477100 1370862033 /nfs/dbraw/zinc/86/20/33/1370862033.db2.gz CHXXJVIEVVUJQT-INIZCTEOSA-N 1 2 346.475 2.062 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2scnc2CC)C1 ZINC001073629371 1370899791 /nfs/dbraw/zinc/89/97/91/1370899791.db2.gz AQFXXZYHTBUNFG-GFCCVEGCSA-N 1 2 343.880 2.279 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2scnc2CC)C1 ZINC001073629371 1370899794 /nfs/dbraw/zinc/89/97/94/1370899794.db2.gz AQFXXZYHTBUNFG-GFCCVEGCSA-N 1 2 343.880 2.279 20 30 EEEDLO C[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC001073732150 1370915205 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331.464 2.072 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2CCC[N@H+]2C)n1C[C@@H]1CCCCO1 ZINC001123269159 1372114447 /nfs/dbraw/zinc/11/44/47/1372114447.db2.gz YGDOKFQKFYCYRJ-JYJNAYRXSA-N 1 2 331.464 2.072 20 30 EEEDLO COc1cccc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)n1 ZINC001139530209 1372512263 /nfs/dbraw/zinc/51/22/63/1372512263.db2.gz MBZLHUCBHQJLAN-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO CC[C@@H](C#N)Oc1cc(CNc2nc[nH+]c(N)c2OC)ccc1OC ZINC000848665172 1373166787 /nfs/dbraw/zinc/16/67/87/1373166787.db2.gz OHSSVPGRMUVUPB-LBPRGKRZSA-N 1 2 343.387 2.369 20 30 EEEDLO CC[C@@H](C#N)Oc1cc(CNc2[nH+]cnc(N)c2OC)ccc1OC ZINC000848665172 1373166789 /nfs/dbraw/zinc/16/67/89/1373166789.db2.gz OHSSVPGRMUVUPB-LBPRGKRZSA-N 1 2 343.387 2.369 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H]2COC[C@@H]21 ZINC001355930535 1373183542 /nfs/dbraw/zinc/18/35/42/1373183542.db2.gz YSZPDHJVSXABBA-OAGGEKHMSA-N 1 2 331.464 2.236 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H]2COC[C@@H]21 ZINC001355930535 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C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nccs3)[C@@H]2CC)nc1 ZINC001087800401 782271672 /nfs/dbraw/zinc/27/16/72/782271672.db2.gz QBPNVDVKCPZANR-GOEBONIOSA-N 1 2 340.452 2.302 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nccs3)[C@@H]2CC)nc1 ZINC001087800401 782271682 /nfs/dbraw/zinc/27/16/82/782271682.db2.gz QBPNVDVKCPZANR-GOEBONIOSA-N 1 2 340.452 2.302 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2ccon2)[C@@H]1CC ZINC001087810107 782283078 /nfs/dbraw/zinc/28/30/78/782283078.db2.gz CGJLBTYGCKPLMA-RBUKOAKNSA-N 1 2 337.423 2.368 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2ccon2)[C@@H]1CC ZINC001087810107 782283087 /nfs/dbraw/zinc/28/30/87/782283087.db2.gz CGJLBTYGCKPLMA-RBUKOAKNSA-N 1 2 337.423 2.368 20 30 EEEDLO N#Cc1ccc(NC2(CNC(=O)CCc3[nH]cc[nH+]3)CCCC2)cn1 ZINC001104386905 760047199 /nfs/dbraw/zinc/04/71/99/760047199.db2.gz VNKJJDHJUSGWOT-UHFFFAOYSA-N 1 2 338.415 2.150 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(C(C)C)c3)[C@H]2C1 ZINC001083239702 760258087 /nfs/dbraw/zinc/25/80/87/760258087.db2.gz WJWFAKVEPPWHNE-RBUKOAKNSA-N 1 2 326.440 2.359 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(C(C)C)c3)[C@H]2C1 ZINC001083239702 760258093 /nfs/dbraw/zinc/25/80/93/760258093.db2.gz WJWFAKVEPPWHNE-RBUKOAKNSA-N 1 2 326.440 2.359 20 30 EEEDLO C=CCOCC(=O)N(C)[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104496362 761088820 /nfs/dbraw/zinc/08/88/20/761088820.db2.gz PPNPFBNXCICXTL-CYBMUJFWSA-N 1 2 332.448 2.125 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(C)on1 ZINC001024441700 761379415 /nfs/dbraw/zinc/37/94/15/761379415.db2.gz HSHWMJYGBNGDDT-KURKYZTESA-N 1 2 347.459 2.435 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C)on1 ZINC001024441700 761379421 /nfs/dbraw/zinc/37/94/21/761379421.db2.gz HSHWMJYGBNGDDT-KURKYZTESA-N 1 2 347.459 2.435 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1Cc1csnn1 ZINC001087381337 765000116 /nfs/dbraw/zinc/00/01/16/765000116.db2.gz HCYBZKJANQETCD-UKMLZYKCSA-N 1 2 346.500 2.419 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@H+]1Cc1csnn1 ZINC001087381337 765000119 /nfs/dbraw/zinc/00/01/19/765000119.db2.gz HCYBZKJANQETCD-UKMLZYKCSA-N 1 2 346.500 2.419 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H](C)N(C)C(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC001104834652 765391064 /nfs/dbraw/zinc/39/10/64/765391064.db2.gz YQAPCJAACNWZST-GJZGRUSLSA-N 1 2 340.431 2.368 20 30 EEEDLO C=CCCCC(=O)N[C@@H](C)C[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001089450978 769350174 /nfs/dbraw/zinc/35/01/74/769350174.db2.gz BLORDHFVCBRWIJ-STQMWFEESA-N 1 2 330.436 2.415 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](Nc1cc(C)[nH+]c(C(C)C)n1)C(C)C ZINC001105225672 769386401 /nfs/dbraw/zinc/38/64/01/769386401.db2.gz SOUOAZZKVGFIBL-JKSUJKDBSA-N 1 2 346.475 2.499 20 30 EEEDLO C#CCCCCC(=O)NCC[NH2+]Cc1nc(-c2ccsc2)no1 ZINC001125950928 769751418 /nfs/dbraw/zinc/75/14/18/769751418.db2.gz DUGHKHIZDGQOLH-UHFFFAOYSA-N 1 2 332.429 2.198 20 30 EEEDLO C[C@H](C[C@@H](C)Nc1ncc(C#N)cc1Cl)NC(=O)Cc1c[nH]c[nH+]1 ZINC001089489007 769769715 /nfs/dbraw/zinc/76/97/15/769769715.db2.gz FFHAZUAHDNNPCT-GHMZBOCLSA-N 1 2 346.822 2.268 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)c1cocn1 ZINC001031581418 769851594 /nfs/dbraw/zinc/85/15/94/769851594.db2.gz WHTNAHIEBRYRQT-UHFFFAOYSA-N 1 2 329.787 2.041 20 30 EEEDLO C[C@@H](C[C@H](C)Nc1ccncc1C#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089496848 769880543 /nfs/dbraw/zinc/88/05/43/769880543.db2.gz WDDHUXKQHNNIQI-STQMWFEESA-N 1 2 348.410 2.260 20 30 EEEDLO Cn1ccc(C(=O)NCC2C[NH+](CC#Cc3cccc(Cl)c3)C2)c1 ZINC001031613183 770249238 /nfs/dbraw/zinc/24/92/38/770249238.db2.gz HQMBLGFXONBFBO-UHFFFAOYSA-N 1 2 341.842 2.392 20 30 EEEDLO N#Cc1cc(C(=O)NCC2C[NH+](Cc3cc(F)ccc3F)C2)c[nH]1 ZINC001031622460 770338916 /nfs/dbraw/zinc/33/89/16/770338916.db2.gz KZDIBNZWUCEPLR-UHFFFAOYSA-N 1 2 330.338 2.026 20 30 EEEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000920996370 770924066 /nfs/dbraw/zinc/92/40/66/770924066.db2.gz DBAMPQSJXOOKFL-WMLDXEAASA-N 1 2 330.432 2.029 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1=COCCO1 ZINC001089599096 773436022 /nfs/dbraw/zinc/43/60/22/773436022.db2.gz SCEUQGPXFWMJNI-CYBMUJFWSA-N 1 2 328.840 2.234 20 30 EEEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1=COCCO1 ZINC001089599096 773436024 /nfs/dbraw/zinc/43/60/24/773436024.db2.gz SCEUQGPXFWMJNI-CYBMUJFWSA-N 1 2 328.840 2.234 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)c1[nH]ccc1C ZINC001027855320 773610128 /nfs/dbraw/zinc/61/01/28/773610128.db2.gz BLVDFOPSRGRGRJ-LBPRGKRZSA-N 1 2 326.238 2.426 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]ccc1C ZINC001027855320 773610130 /nfs/dbraw/zinc/61/01/30/773610130.db2.gz BLVDFOPSRGRGRJ-LBPRGKRZSA-N 1 2 326.238 2.426 20 30 EEEDLO C[C@H](CCCCNc1ccc(C#N)nc1)NC(=O)CCn1cc[nH+]c1 ZINC001090124938 783124030 /nfs/dbraw/zinc/12/40/30/783124030.db2.gz BKPWQCAEZRADMN-OAHLLOKOSA-N 1 2 340.431 2.327 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2ncccn2)C1 ZINC000980271112 774224806 /nfs/dbraw/zinc/22/48/06/774224806.db2.gz UCQACWRPXPXQMP-QFBILLFUSA-N 1 2 348.450 2.294 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2ncccn2)C1 ZINC000980271112 774224809 /nfs/dbraw/zinc/22/48/09/774224809.db2.gz UCQACWRPXPXQMP-QFBILLFUSA-N 1 2 348.450 2.294 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(OC)c(OC)c2C)C1 ZINC001031758547 775049542 /nfs/dbraw/zinc/04/95/42/775049542.db2.gz XEVRUGOCTNDGCH-UHFFFAOYSA-N 1 2 338.835 2.426 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cnc2cc[nH]c2c1 ZINC001031759535 775079912 /nfs/dbraw/zinc/07/99/12/775079912.db2.gz ZNHFCPHSZXKYKQ-UHFFFAOYSA-N 1 2 344.418 2.276 20 30 EEEDLO Cn1cccc1C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000980715204 775298874 /nfs/dbraw/zinc/29/88/74/775298874.db2.gz FXNOHUKTVBCQHG-UHFFFAOYSA-N 1 2 340.402 2.384 20 30 EEEDLO Cn1cccc1C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000980715204 775298882 /nfs/dbraw/zinc/29/88/82/775298882.db2.gz FXNOHUKTVBCQHG-UHFFFAOYSA-N 1 2 340.402 2.384 20 30 EEEDLO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1)n1cccn1 ZINC000980749325 775439158 /nfs/dbraw/zinc/43/91/58/775439158.db2.gz SVOAZRLFVRRKRJ-AWEZNQCLSA-N 1 2 343.456 2.112 20 30 EEEDLO C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1)n1cccn1 ZINC000980749325 775439161 /nfs/dbraw/zinc/43/91/61/775439161.db2.gz SVOAZRLFVRRKRJ-AWEZNQCLSA-N 1 2 343.456 2.112 20 30 EEEDLO CCO[C@H]1C[C@H]1C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000980750181 775443881 /nfs/dbraw/zinc/44/38/81/775443881.db2.gz FUQYLZAYZMVZMG-MSOLQXFVSA-N 1 2 327.428 2.018 20 30 EEEDLO CCO[C@H]1C[C@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000980750181 775443888 /nfs/dbraw/zinc/44/38/88/775443888.db2.gz FUQYLZAYZMVZMG-MSOLQXFVSA-N 1 2 327.428 2.018 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2cnco2)cc1F ZINC001028052339 776850848 /nfs/dbraw/zinc/85/08/48/776850848.db2.gz FNMNNPSTTKASHV-CQSZACIVSA-N 1 2 328.347 2.080 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)c2cnco2)cc1F ZINC001028052339 776850854 /nfs/dbraw/zinc/85/08/54/776850854.db2.gz FNMNNPSTTKASHV-CQSZACIVSA-N 1 2 328.347 2.080 20 30 EEEDLO Cc1cc(N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)nc(C2CC2)[nH+]1 ZINC001058875192 777023451 /nfs/dbraw/zinc/02/34/51/777023451.db2.gz OUARCOFPPOKDGZ-AWEZNQCLSA-N 1 2 336.399 2.189 20 30 EEEDLO CCc1cncc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c1 ZINC001031849861 777365270 /nfs/dbraw/zinc/36/52/70/777365270.db2.gz DNBGRWHHIUTAEP-UHFFFAOYSA-N 1 2 333.435 2.357 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)CCc2cncnc2)CC1 ZINC000981622362 777816390 /nfs/dbraw/zinc/81/63/90/777816390.db2.gz CXEKVYZCJMXIHC-UHFFFAOYSA-N 1 2 349.438 2.015 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCc2cncnc2)CC1 ZINC000981622362 777816400 /nfs/dbraw/zinc/81/64/00/777816400.db2.gz CXEKVYZCJMXIHC-UHFFFAOYSA-N 1 2 349.438 2.015 20 30 EEEDLO Cc1nocc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001028113279 777928504 /nfs/dbraw/zinc/92/85/04/777928504.db2.gz KFGAZWJHUGCDGB-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nocc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001028113279 777928512 /nfs/dbraw/zinc/92/85/12/777928512.db2.gz KFGAZWJHUGCDGB-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]nc1-c1cccnc1 ZINC001028206440 778925988 /nfs/dbraw/zinc/92/59/88/778925988.db2.gz UJCYRLGXOGSBAM-AWEZNQCLSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]nc1-c1cccnc1 ZINC001028206440 778925996 /nfs/dbraw/zinc/92/59/96/778925996.db2.gz UJCYRLGXOGSBAM-AWEZNQCLSA-N 1 2 345.834 2.418 20 30 EEEDLO Cc1nc(NCCC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)cc[nH+]1 ZINC001063318308 790688991 /nfs/dbraw/zinc/68/89/91/790688991.db2.gz POEBXESQAUGKIU-UHFFFAOYSA-N 1 2 338.415 2.339 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC001028240529 779559753 /nfs/dbraw/zinc/55/97/53/779559753.db2.gz ZCYGWFSANOGXLD-OAHLLOKOSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC001028240529 779559760 /nfs/dbraw/zinc/55/97/60/779559760.db2.gz ZCYGWFSANOGXLD-OAHLLOKOSA-N 1 2 345.834 2.418 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)nc1 ZINC000893922663 780310249 /nfs/dbraw/zinc/31/02/49/780310249.db2.gz BSHFJRRBPCTKCH-UHFFFAOYSA-N 1 2 330.338 2.259 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](F)CCCCCC)C2)nn1 ZINC001105362470 780585152 /nfs/dbraw/zinc/58/51/52/780585152.db2.gz AEASIOHYWWRFTO-QGZVFWFLSA-N 1 2 349.454 2.083 20 30 EEEDLO Cc1c(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)ccn1C ZINC001031957408 780673796 /nfs/dbraw/zinc/67/37/96/780673796.db2.gz UJFGAUWVGQQHJT-UHFFFAOYSA-N 1 2 340.402 2.206 20 30 EEEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccon2)C1 ZINC001087452713 780678567 /nfs/dbraw/zinc/67/85/67/780678567.db2.gz IAJTWNSSFLXJQS-NVXWUHKLSA-N 1 2 327.359 2.035 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ccon2)C1 ZINC001087452713 780678572 /nfs/dbraw/zinc/67/85/72/780678572.db2.gz IAJTWNSSFLXJQS-NVXWUHKLSA-N 1 2 327.359 2.035 20 30 EEEDLO Cc1cc(N(C)CCN(C)C(=O)c2c[nH]c(C#N)c2)nc(C(C)C)[nH+]1 ZINC001105368174 780852971 /nfs/dbraw/zinc/85/29/71/780852971.db2.gz DPYMHWSPZRYMGT-UHFFFAOYSA-N 1 2 340.431 2.317 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ocnc1C1CC1 ZINC001031972312 781084726 /nfs/dbraw/zinc/08/47/26/781084726.db2.gz JLKDDLPSVZSEHE-UHFFFAOYSA-N 1 2 335.407 2.265 20 30 EEEDLO C=C(C)CCC(=O)N(C)CCCN(C)c1[nH+]cnc2c1cnn2C ZINC001112130770 781120922 /nfs/dbraw/zinc/12/09/22/781120922.db2.gz OZJWNRLPOKDPJM-UHFFFAOYSA-N 1 2 330.436 2.004 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N(C)CCCN(C)c1cc[nH+]c(C)n1)OCC ZINC001112131539 781129533 /nfs/dbraw/zinc/12/95/33/781129533.db2.gz IPVJOGWFOMUVJH-MRXNPFEDSA-N 1 2 334.464 2.441 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC001031987283 781568363 /nfs/dbraw/zinc/56/83/63/781568363.db2.gz GLRVKRNWOBRFID-SJORKVTESA-N 1 2 336.382 2.104 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2nonc2C)C[C@H]1C ZINC000942130421 781789502 /nfs/dbraw/zinc/78/95/02/781789502.db2.gz NMZZSNLMGXMXSU-UKRRQHHQSA-N 1 2 343.431 2.006 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2nonc2C)C[C@H]1C ZINC000942130421 781789508 /nfs/dbraw/zinc/78/95/08/781789508.db2.gz NMZZSNLMGXMXSU-UKRRQHHQSA-N 1 2 343.431 2.006 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)C2CC[NH+](Cc3nncn3C)CC2)CC1 ZINC000997738300 790937672 /nfs/dbraw/zinc/93/76/72/790937672.db2.gz DUTDYECJXYLFEF-HNNXBMFYSA-N 1 2 345.491 2.278 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCCN(CCC)c1nc(C)[nH+]c(C)c1C ZINC001101154428 783711762 /nfs/dbraw/zinc/71/17/62/783711762.db2.gz GXAQIZGNSITWLO-HNNXBMFYSA-N 1 2 334.464 2.326 20 30 EEEDLO C=C[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C)o1)c1ccccc1 ZINC001035131156 783859479 /nfs/dbraw/zinc/85/94/79/783859479.db2.gz KXYDLGKJPADAEV-IAGOWNOFSA-N 1 2 340.427 2.428 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2coc3c2cccc3OC)C1 ZINC001035373434 784393428 /nfs/dbraw/zinc/39/34/28/784393428.db2.gz HLEYYHNQPDTUKP-CQSZACIVSA-N 1 2 344.411 2.448 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2coc3c2cccc3OC)C1 ZINC001035373434 784393433 /nfs/dbraw/zinc/39/34/33/784393433.db2.gz HLEYYHNQPDTUKP-CQSZACIVSA-N 1 2 344.411 2.448 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC001035472300 784551802 /nfs/dbraw/zinc/55/18/02/784551802.db2.gz AUFMDCLLSQYIRZ-HNNXBMFYSA-N 1 2 327.428 2.401 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC001035472300 784551809 /nfs/dbraw/zinc/55/18/09/784551809.db2.gz AUFMDCLLSQYIRZ-HNNXBMFYSA-N 1 2 327.428 2.401 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c(F)cc(F)cc2F)C1 ZINC001035489589 784575634 /nfs/dbraw/zinc/57/56/34/784575634.db2.gz RKKBUPKRYNRIRO-GFCCVEGCSA-N 1 2 328.334 2.111 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2c(F)cc(F)cc2F)C1 ZINC001035489589 784575639 /nfs/dbraw/zinc/57/56/39/784575639.db2.gz RKKBUPKRYNRIRO-GFCCVEGCSA-N 1 2 328.334 2.111 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)c(C)cc2Cl)C1 ZINC001035468620 784594020 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/nfs/dbraw/zinc/41/16/60/796411660.db2.gz GZRLDACMGDXUPN-SJKOYZFVSA-N 1 2 340.452 2.078 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn3c2C[C@H](C)CC3)C1 ZINC001080862182 796441073 /nfs/dbraw/zinc/44/10/73/796441073.db2.gz WISOVHIESNYXQL-LALPHHSUSA-N 1 2 336.867 2.268 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn3c2C[C@H](C)CC3)C1 ZINC001080862182 796441077 /nfs/dbraw/zinc/44/10/77/796441077.db2.gz WISOVHIESNYXQL-LALPHHSUSA-N 1 2 336.867 2.268 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccn(C)n2)[C@H]1C ZINC000993445548 796711800 /nfs/dbraw/zinc/71/18/00/796711800.db2.gz LMWNVEZPDKXXLI-DOTOQJQBSA-N 1 2 341.459 2.191 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccn(C)n2)[C@H]1C ZINC000993445548 796711805 /nfs/dbraw/zinc/71/18/05/796711805.db2.gz LMWNVEZPDKXXLI-DOTOQJQBSA-N 1 2 341.459 2.191 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CC1CCC1 ZINC001081484963 796772328 /nfs/dbraw/zinc/77/23/28/796772328.db2.gz IJBOCKVURSHTLM-HZPDHXFCSA-N 1 2 333.457 2.125 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CC1CCC1 ZINC001081484963 796772333 /nfs/dbraw/zinc/77/23/33/796772333.db2.gz IJBOCKVURSHTLM-HZPDHXFCSA-N 1 2 333.457 2.125 20 30 EEEDLO C#CCC[N@H+]1CCC[C@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)[C@@H]1C ZINC000993610812 796838986 /nfs/dbraw/zinc/83/89/86/796838986.db2.gz GNUVGKOBNSICFX-RYUDHWBXSA-N 1 2 342.365 2.343 20 30 EEEDLO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)[C@@H]1C ZINC000993610812 796838993 /nfs/dbraw/zinc/83/89/93/796838993.db2.gz GNUVGKOBNSICFX-RYUDHWBXSA-N 1 2 342.365 2.343 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2csnn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993630595 796885508 /nfs/dbraw/zinc/88/55/08/796885508.db2.gz HYBHGPHEJMCQNU-DOMZBBRYSA-N 1 2 341.440 2.193 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2csnn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993630595 796885510 /nfs/dbraw/zinc/88/55/10/796885510.db2.gz HYBHGPHEJMCQNU-DOMZBBRYSA-N 1 2 341.440 2.193 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3ccccc3cc2F)[C@H](OC)C1 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RWBGEUXUZVPVSY-HIFRSBDPSA-N 1 2 337.851 2.354 20 30 EEEDLO N#Cc1ccc(NC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)nc1 ZINC001061025892 797193150 /nfs/dbraw/zinc/19/31/50/797193150.db2.gz XNLSVZUDQBAMFI-AWEZNQCLSA-N 1 2 346.394 2.404 20 30 EEEDLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001082150855 797242823 /nfs/dbraw/zinc/24/28/23/797242823.db2.gz OPBAKMWMHJCCKC-NXWXRZEISA-N 1 2 344.430 2.039 20 30 EEEDLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001082150855 797242826 /nfs/dbraw/zinc/24/28/26/797242826.db2.gz OPBAKMWMHJCCKC-NXWXRZEISA-N 1 2 344.430 2.039 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001082187014 797304501 /nfs/dbraw/zinc/30/45/01/797304501.db2.gz PTQXEGOPCRZFAD-INIZCTEOSA-N 1 2 346.475 2.373 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)n(C)n1 ZINC001095217825 797531898 /nfs/dbraw/zinc/53/18/98/797531898.db2.gz YPMBJHXJKQBAQF-SQNIBIBYSA-N 1 2 349.438 2.136 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)n(C)n1 ZINC001095217825 797531901 /nfs/dbraw/zinc/53/19/01/797531901.db2.gz YPMBJHXJKQBAQF-SQNIBIBYSA-N 1 2 349.438 2.136 20 30 EEEDLO CC[C@H](C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001083006059 797823444 /nfs/dbraw/zinc/82/34/44/797823444.db2.gz UOOOTTYGDATXNB-VBNZEHGJSA-N 1 2 333.457 2.077 20 30 EEEDLO CC[C@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001083006059 797823451 /nfs/dbraw/zinc/82/34/51/797823451.db2.gz UOOOTTYGDATXNB-VBNZEHGJSA-N 1 2 333.457 2.077 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CCCCCC2=O)[C@H]1C ZINC000994365406 797852868 /nfs/dbraw/zinc/85/28/68/797852868.db2.gz PKSSFLROOGYYMH-CABCVRRESA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2CCCCCC2=O)[C@H]1C ZINC000994365406 797852876 /nfs/dbraw/zinc/85/28/76/797852876.db2.gz PKSSFLROOGYYMH-CABCVRRESA-N 1 2 341.883 2.111 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nc4ccccc4cc3C)[C@H]2C1 ZINC001083148044 797895908 /nfs/dbraw/zinc/89/59/08/797895908.db2.gz RLXHDKCSTBZJPH-RBUKOAKNSA-N 1 2 349.434 2.092 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3nc4ccccc4cc3C)[C@H]2C1 ZINC001083148044 797895916 /nfs/dbraw/zinc/89/59/16/797895916.db2.gz RLXHDKCSTBZJPH-RBUKOAKNSA-N 1 2 349.434 2.092 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3n[nH]nc3c2)[C@H]1C ZINC000994401823 797953310 /nfs/dbraw/zinc/95/33/10/797953310.db2.gz OITNSMSREMDXDZ-YPMHNXCESA-N 1 2 333.823 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3n[nH]nc3c2)[C@H]1C ZINC000994401823 797953314 /nfs/dbraw/zinc/95/33/14/797953314.db2.gz OITNSMSREMDXDZ-YPMHNXCESA-N 1 2 333.823 2.293 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc[nH]2)[C@H]1C ZINC000994443344 797991787 /nfs/dbraw/zinc/99/17/87/797991787.db2.gz RKASUQZFHZRQPP-OCCSQVGLSA-N 1 2 340.265 2.435 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc[nH]2)[C@H]1C ZINC000994443344 797991791 /nfs/dbraw/zinc/99/17/91/797991791.db2.gz RKASUQZFHZRQPP-OCCSQVGLSA-N 1 2 340.265 2.435 20 30 EEEDLO CS[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084204678 798058333 /nfs/dbraw/zinc/05/83/33/798058333.db2.gz ADAUOINJNPFIEV-SUYBPPKGSA-N 1 2 347.459 2.482 20 30 EEEDLO CS[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084204678 798058340 /nfs/dbraw/zinc/05/83/40/798058340.db2.gz ADAUOINJNPFIEV-SUYBPPKGSA-N 1 2 347.459 2.482 20 30 EEEDLO O=C(C#CC1CC1)N1C[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C[C@H]21 ZINC001084334181 798155241 /nfs/dbraw/zinc/15/52/41/798155241.db2.gz RWOJODHKLXJFSM-CRAIPNDOSA-N 1 2 330.378 2.411 20 30 EEEDLO O=C(C#CC1CC1)N1C[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C[C@H]21 ZINC001084334181 798155244 /nfs/dbraw/zinc/15/52/44/798155244.db2.gz RWOJODHKLXJFSM-CRAIPNDOSA-N 1 2 330.378 2.411 20 30 EEEDLO N#Cc1c(F)cccc1N[C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001061096734 798166132 /nfs/dbraw/zinc/16/61/32/798166132.db2.gz WTMRYDLQLUUZMI-KGLIPLIRSA-N 1 2 341.390 2.433 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccnn3CC(C)C)[C@@H]2C1 ZINC001084381142 798178224 /nfs/dbraw/zinc/17/82/24/798178224.db2.gz YZXLHSLNNRCQGE-GDBMZVCRSA-N 1 2 336.867 2.438 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnn3CC(C)C)[C@@H]2C1 ZINC001084381142 798178229 /nfs/dbraw/zinc/17/82/29/798178229.db2.gz YZXLHSLNNRCQGE-GDBMZVCRSA-N 1 2 336.867 2.438 20 30 EEEDLO C[C@H](C[C@@H](C)Nc1ccc(C#N)cn1)NC(=O)CCc1c[nH+]cn1C ZINC001089376031 798247864 /nfs/dbraw/zinc/24/78/64/798247864.db2.gz WVJJZVPYCOAACI-ZIAGYGMSSA-N 1 2 340.431 2.015 20 30 EEEDLO C=C[C@H]1CCCCN1CCS(=O)(=O)CC[N@@H+]1CCCC[C@@H]1C=C ZINC000785997015 806660063 /nfs/dbraw/zinc/66/00/63/806660063.db2.gz JIPKXAJJIKUUBR-ROUUACIJSA-N 1 2 340.533 2.482 20 30 EEEDLO C=C[C@H]1CCCCN1CCS(=O)(=O)CC[N@H+]1CCCC[C@@H]1C=C ZINC000785997015 806660068 /nfs/dbraw/zinc/66/00/68/806660068.db2.gz JIPKXAJJIKUUBR-ROUUACIJSA-N 1 2 340.533 2.482 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3cncc(F)c3)[C@@H]2C1 ZINC001084870758 798519211 /nfs/dbraw/zinc/51/92/11/798519211.db2.gz BLNJTPLFBGROMF-GDBMZVCRSA-N 1 2 337.826 2.439 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3cncc(F)c3)[C@@H]2C1 ZINC001084870758 798519213 /nfs/dbraw/zinc/51/92/13/798519213.db2.gz BLNJTPLFBGROMF-GDBMZVCRSA-N 1 2 337.826 2.439 20 30 EEEDLO Cc1nc(N[C@H]2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)ccc1C#N ZINC001061135666 798523352 /nfs/dbraw/zinc/52/33/52/798523352.db2.gz GWHWUURIKQBIDU-LSDHHAIUSA-N 1 2 338.415 2.067 20 30 EEEDLO C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc(C)s3)C[C@H]21 ZINC001176936405 798636723 /nfs/dbraw/zinc/63/67/23/798636723.db2.gz IDAHAJDXWVYUJJ-CABCVRRESA-N 1 2 335.473 2.333 20 30 EEEDLO C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc(C)s3)C[C@H]21 ZINC001176936405 798636725 /nfs/dbraw/zinc/63/67/25/798636725.db2.gz IDAHAJDXWVYUJJ-CABCVRRESA-N 1 2 335.473 2.333 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3(COC)CCCC3)C[C@@H]21 ZINC001177029951 798704909 /nfs/dbraw/zinc/70/49/09/798704909.db2.gz KWORSBSAMFLZBM-IRXDYDNUSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3(COC)CCCC3)C[C@@H]21 ZINC001177029951 798704912 /nfs/dbraw/zinc/70/49/12/798704912.db2.gz KWORSBSAMFLZBM-IRXDYDNUSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](CCOC(C)C)[C@H]2C1 ZINC001177106366 798752827 /nfs/dbraw/zinc/75/28/27/798752827.db2.gz AFQWPEAVCLKXAN-IRXDYDNUSA-N 1 2 338.492 2.315 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](CCOC(C)C)[C@H]2C1 ZINC001177106366 798752831 /nfs/dbraw/zinc/75/28/31/798752831.db2.gz AFQWPEAVCLKXAN-IRXDYDNUSA-N 1 2 338.492 2.315 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)CC=C)C[C@H]21 ZINC001177106797 798753649 /nfs/dbraw/zinc/75/36/49/798753649.db2.gz HTJWYDQLMZQBTO-IAGOWNOFSA-N 1 2 336.476 2.093 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)CC=C)C[C@H]21 ZINC001177106797 798753653 /nfs/dbraw/zinc/75/36/53/798753653.db2.gz HTJWYDQLMZQBTO-IAGOWNOFSA-N 1 2 336.476 2.093 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3(CCOC)CCC3)C[C@@H]21 ZINC001177139909 798768480 /nfs/dbraw/zinc/76/84/80/798768480.db2.gz VRWCGIGHDWMGEC-IRXDYDNUSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3(CCOC)CCC3)C[C@@H]21 ZINC001177139909 798768483 /nfs/dbraw/zinc/76/84/83/798768483.db2.gz VRWCGIGHDWMGEC-IRXDYDNUSA-N 1 2 336.476 2.071 20 30 EEEDLO CC/C=C\CC[N@@H+]1CCn2ncc(CNC(=O)C#CC(C)C)c2C1 ZINC001128346674 798988416 /nfs/dbraw/zinc/98/84/16/798988416.db2.gz BUUYKCXTQBLQLS-WAYWQWQTSA-N 1 2 328.460 2.331 20 30 EEEDLO CC/C=C\CC[N@H+]1CCn2ncc(CNC(=O)C#CC(C)C)c2C1 ZINC001128346674 798988420 /nfs/dbraw/zinc/98/84/20/798988420.db2.gz BUUYKCXTQBLQLS-WAYWQWQTSA-N 1 2 328.460 2.331 20 30 EEEDLO C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)[C@H](C)C(C)C)C1 ZINC001177551946 799025143 /nfs/dbraw/zinc/02/51/43/799025143.db2.gz VNVGSNVIZWMZNA-GOSISDBHSA-N 1 2 342.483 2.377 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C[C@@H](OCC)C(=C)C)c2C1 ZINC001128376890 799115432 /nfs/dbraw/zinc/11/54/32/799115432.db2.gz PKUFNVLTUVAYOB-GOSISDBHSA-N 1 2 346.475 2.262 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C[C@@H](OCC)C(=C)C)c2C1 ZINC001128376890 799115434 /nfs/dbraw/zinc/11/54/34/799115434.db2.gz PKUFNVLTUVAYOB-GOSISDBHSA-N 1 2 346.475 2.262 20 30 EEEDLO C=C(C)CCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC(C)C)C2)CC1 ZINC001065683293 799341146 /nfs/dbraw/zinc/34/11/46/799341146.db2.gz XPYSAIQSLTXKNK-KRWDZBQOSA-N 1 2 335.492 2.134 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H](C)C3CC3)CC2)C1 ZINC001065704016 799350642 /nfs/dbraw/zinc/35/06/42/799350642.db2.gz IMIMWUJIYSWCQH-FUHWJXTLSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C3CC(C)C3)CC2)C1 ZINC001065704703 799352551 /nfs/dbraw/zinc/35/25/51/799352551.db2.gz QOXDFBRNGQBJNE-ABHNRTSZSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C3(C)CC3)C2)CC1 ZINC001065705226 799353728 /nfs/dbraw/zinc/35/37/28/799353728.db2.gz WWIXAEGHKXPWCD-MRXNPFEDSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C3(C)CCC3)CC2)C1 ZINC001065706888 799357109 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/nfs/dbraw/zinc/13/30/71/800133071.db2.gz OOMRUJCTLRYCBT-ZDUSSCGKSA-N 1 2 325.334 2.385 20 30 EEEDLO CN(C(=O)c1cccnc1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032864353 800181344 /nfs/dbraw/zinc/18/13/44/800181344.db2.gz LPSQHUOATRNAKE-KRWDZBQOSA-N 1 2 338.386 2.439 20 30 EEEDLO CN(C(=O)c1cccnc1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032864353 800181348 /nfs/dbraw/zinc/18/13/48/800181348.db2.gz LPSQHUOATRNAKE-KRWDZBQOSA-N 1 2 338.386 2.439 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001066262021 800555976 /nfs/dbraw/zinc/55/59/76/800555976.db2.gz VPXDSCAGWMNGDS-OAHLLOKOSA-N 1 2 332.448 2.196 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001066262021 800555983 /nfs/dbraw/zinc/55/59/83/800555983.db2.gz VPXDSCAGWMNGDS-OAHLLOKOSA-N 1 2 332.448 2.196 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CCCOCC1 ZINC001085572008 800802243 /nfs/dbraw/zinc/80/22/43/800802243.db2.gz PLANULJXCDIRIG-HUUCEWRRSA-N 1 2 347.484 2.469 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CCCOCC1 ZINC001085572008 800802250 /nfs/dbraw/zinc/80/22/50/800802250.db2.gz PLANULJXCDIRIG-HUUCEWRRSA-N 1 2 347.484 2.469 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(C3CC3)no2)C1 ZINC001182112900 801029070 /nfs/dbraw/zinc/02/90/70/801029070.db2.gz JAVIZEGSVVXBJN-DZGCQCFKSA-N 1 2 330.432 2.392 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)c1cc(F)c[nH]1 ZINC001085730353 801133686 /nfs/dbraw/zinc/13/36/86/801133686.db2.gz VYEIGJBHZPDIIP-GFCCVEGCSA-N 1 2 332.404 2.433 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)c1cc(F)c[nH]1 ZINC001085730353 801133689 /nfs/dbraw/zinc/13/36/89/801133689.db2.gz VYEIGJBHZPDIIP-GFCCVEGCSA-N 1 2 332.404 2.433 20 30 EEEDLO N#Cc1cccc2[nH]cc(CC(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)c21 ZINC001182586213 801257521 /nfs/dbraw/zinc/25/75/21/801257521.db2.gz QFBWSBYYDIFGRE-MRXNPFEDSA-N 1 2 345.406 2.372 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)C(C)(F)F)c2C1 ZINC001128498778 801266776 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339.439 2.400 20 30 EEEDLO Cc1cc(C(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2ccccc2)nc(C)n1 ZINC001085872029 801496095 /nfs/dbraw/zinc/49/60/95/801496095.db2.gz MKHFTSZTMCJQLN-LJQANCHMSA-N 1 2 348.450 2.291 20 30 EEEDLO Cc1cc(C(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2ccccc2)nc(C)n1 ZINC001085872029 801496099 /nfs/dbraw/zinc/49/60/99/801496099.db2.gz MKHFTSZTMCJQLN-LJQANCHMSA-N 1 2 348.450 2.291 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@H](C)c2cnc(C)cn2)cn1 ZINC001085932680 801690289 /nfs/dbraw/zinc/69/02/89/801690289.db2.gz GDQCFAKBVLPFOI-QAPCUYQASA-N 1 2 349.438 2.069 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2[C@H](C)c2cnc(C)cn2)cn1 ZINC001085932680 801690292 /nfs/dbraw/zinc/69/02/92/801690292.db2.gz GDQCFAKBVLPFOI-QAPCUYQASA-N 1 2 349.438 2.069 20 30 EEEDLO CC[C@@H]1C[C@H]1C(=O)NC[C@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108227952 801789003 /nfs/dbraw/zinc/78/90/03/801789003.db2.gz JNLSRZWTBGCAPW-QWFCFKBJSA-N 1 2 341.455 2.311 20 30 EEEDLO CC[C@@H]1C[C@H]1C(=O)NC[C@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108227952 801789007 /nfs/dbraw/zinc/78/90/07/801789007.db2.gz JNLSRZWTBGCAPW-QWFCFKBJSA-N 1 2 341.455 2.311 20 30 EEEDLO CCn1ncc(Cl)c1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004436878 802024950 /nfs/dbraw/zinc/02/49/50/802024950.db2.gz HPTLLDFYTMCUAF-HNNXBMFYSA-N 1 2 349.866 2.397 20 30 EEEDLO CCn1ncc(Cl)c1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004436878 802024956 /nfs/dbraw/zinc/02/49/56/802024956.db2.gz HPTLLDFYTMCUAF-HNNXBMFYSA-N 1 2 349.866 2.397 20 30 EEEDLO COc1cncc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c1C ZINC001004472721 802163415 /nfs/dbraw/zinc/16/34/15/802163415.db2.gz JHHZDKXCULKUCH-KRWDZBQOSA-N 1 2 342.443 2.239 20 30 EEEDLO COc1cncc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c1C ZINC001004472721 802163419 /nfs/dbraw/zinc/16/34/19/802163419.db2.gz JHHZDKXCULKUCH-KRWDZBQOSA-N 1 2 342.443 2.239 20 30 EEEDLO CCc1cc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)cc(=O)[nH]1 ZINC001004491649 802201322 /nfs/dbraw/zinc/20/13/22/802201322.db2.gz WNJCZFWFYKSOJR-QGZVFWFLSA-N 1 2 342.443 2.190 20 30 EEEDLO CCc1cc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)cc(=O)[nH]1 ZINC001004491649 802201329 /nfs/dbraw/zinc/20/13/29/802201329.db2.gz WNJCZFWFYKSOJR-QGZVFWFLSA-N 1 2 342.443 2.190 20 30 EEEDLO Cc1cncc(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c1 ZINC001004500389 802249844 /nfs/dbraw/zinc/24/98/44/802249844.db2.gz WEDXDYRQXWXARH-SFHVURJKSA-N 1 2 326.444 2.159 20 30 EEEDLO Cc1cncc(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c1 ZINC001004500389 802249851 /nfs/dbraw/zinc/24/98/51/802249851.db2.gz WEDXDYRQXWXARH-SFHVURJKSA-N 1 2 326.444 2.159 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCc3cccnc32)CC1 ZINC001004520984 802281821 /nfs/dbraw/zinc/28/18/21/802281821.db2.gz DECOTZNVPPOZAZ-ZWKOTPCHSA-N 1 2 338.455 2.338 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCc3cccnc32)CC1 ZINC001004520984 802281825 /nfs/dbraw/zinc/28/18/25/802281825.db2.gz DECOTZNVPPOZAZ-ZWKOTPCHSA-N 1 2 338.455 2.338 20 30 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CC(C)n1nccc1C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001437466140 1089794736 /nfs/dbraw/zinc/79/47/36/1089794736.db2.gz JQKMUKMIYURKGX-UHFFFAOYSA-N 1 2 343.406 2.337 20 30 EEEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)CC[C@@H]1CCOC1)C1CC1 ZINC001437781154 1090363767 /nfs/dbraw/zinc/36/37/67/1090363767.db2.gz RYCYHQVJTWONCG-MRXNPFEDSA-N 1 2 341.455 2.456 20 30 EEEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)CC[C@@H]1CCOC1)C1CC1 ZINC001437781154 1090363772 /nfs/dbraw/zinc/36/37/72/1090363772.db2.gz RYCYHQVJTWONCG-MRXNPFEDSA-N 1 2 341.455 2.456 20 30 EEEDLO C[C@@]1(C(=O)NCC[N@H+](Cc2ccccc2C#N)C2CC2)CCOC1 ZINC001437811785 1090404007 /nfs/dbraw/zinc/40/40/07/1090404007.db2.gz QEKPZFRMOFMSCF-LJQANCHMSA-N 1 2 327.428 2.065 20 30 EEEDLO C[C@@]1(C(=O)NCC[N@@H+](Cc2ccccc2C#N)C2CC2)CCOC1 ZINC001437811785 1090404009 /nfs/dbraw/zinc/40/40/09/1090404009.db2.gz QEKPZFRMOFMSCF-LJQANCHMSA-N 1 2 327.428 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)COc1cccc(OC)c1 ZINC001439368558 1092098531 /nfs/dbraw/zinc/09/85/31/1092098531.db2.gz BVTHCANTXWHSIK-ZDUSSCGKSA-N 1 2 326.824 2.263 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)COc1cccc(OC)c1 ZINC001439368558 1092098538 /nfs/dbraw/zinc/09/85/38/1092098538.db2.gz BVTHCANTXWHSIK-ZDUSSCGKSA-N 1 2 326.824 2.263 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2ncsc2C(C)C)C1 ZINC001440020904 1093130427 /nfs/dbraw/zinc/13/04/27/1093130427.db2.gz IPHBWTANIQQBER-OAHLLOKOSA-N 1 2 343.880 2.186 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ncsc2C(C)C)C1 ZINC001440020904 1093130428 /nfs/dbraw/zinc/13/04/28/1093130428.db2.gz IPHBWTANIQQBER-OAHLLOKOSA-N 1 2 343.880 2.186 20 30 EEEDLO CC(C)c1cc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)nn1C ZINC001442402515 1096723077 /nfs/dbraw/zinc/72/30/77/1096723077.db2.gz AHBSCDGPEOVSMM-UHFFFAOYSA-N 1 2 339.443 2.277 20 30 EEEDLO CC(C)c1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)nn1C ZINC001442402515 1096723081 /nfs/dbraw/zinc/72/30/81/1096723081.db2.gz AHBSCDGPEOVSMM-UHFFFAOYSA-N 1 2 339.443 2.277 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)CC1(OC)CCC1 ZINC001442783165 1097161454 /nfs/dbraw/zinc/16/14/54/1097161454.db2.gz CWYMVIYSNOGYGP-ZDUSSCGKSA-N 1 2 345.281 2.435 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)CC1(OC)CCC1 ZINC001442783165 1097161456 /nfs/dbraw/zinc/16/14/56/1097161456.db2.gz CWYMVIYSNOGYGP-ZDUSSCGKSA-N 1 2 345.281 2.435 20 30 EEEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)[C@H]2CC23CCC3)CC1 ZINC001494103823 1103521732 /nfs/dbraw/zinc/52/17/32/1103521732.db2.gz JMZVXCPTCBXFRK-OAHLLOKOSA-N 1 2 325.884 2.005 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001494301393 1103857432 /nfs/dbraw/zinc/85/74/32/1103857432.db2.gz GRPQDRPITLZWFE-GOSISDBHSA-N 1 2 327.428 2.232 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001494301393 1103857448 /nfs/dbraw/zinc/85/74/48/1103857448.db2.gz GRPQDRPITLZWFE-GOSISDBHSA-N 1 2 327.428 2.232 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001500221697 1112685596 /nfs/dbraw/zinc/68/55/96/1112685596.db2.gz 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O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CCc2cccnc21 ZINC000329333786 539772008 /nfs/dbraw/zinc/77/20/08/539772008.db2.gz XCUCFVWDRLCJBA-MRXNPFEDSA-N 1 2 338.411 2.500 20 30 EEEDLO COc1ccc2c(c1)CCC[C@H]2NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329500675 539775549 /nfs/dbraw/zinc/77/55/49/539775549.db2.gz ABUVGIGRPTZACA-FGTMMUONSA-N 1 2 345.443 2.001 20 30 EEEDLO COc1ccc2c(c1)CCC[C@H]2NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329500675 539775554 /nfs/dbraw/zinc/77/55/54/539775554.db2.gz ABUVGIGRPTZACA-FGTMMUONSA-N 1 2 345.443 2.001 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)O2)c1ccccc1F ZINC000329784301 539783456 /nfs/dbraw/zinc/78/34/56/539783456.db2.gz VWBUIVUKKVZFIA-DVOMOZLQSA-N 1 2 344.390 2.426 20 30 EEEDLO C[C@H](CNC(=O)[C@@H]1C[C@@]12CCOc1ccccc12)[NH+]1CCOCC1 ZINC000329735275 539781836 /nfs/dbraw/zinc/78/18/36/539781836.db2.gz RXGQGUBROFGCDX-SIXWZSSISA-N 1 2 330.428 2.404 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](O)C1 ZINC000108355891 237122782 /nfs/dbraw/zinc/12/27/82/237122782.db2.gz AOOOWRDDYHOCBE-KGLIPLIRSA-N 1 2 333.457 2.476 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](O)C1 ZINC000108355891 237122793 /nfs/dbraw/zinc/12/27/93/237122793.db2.gz AOOOWRDDYHOCBE-KGLIPLIRSA-N 1 2 333.457 2.476 20 30 EEEDLO C[C@@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1cccc(F)c1 ZINC000116185110 237188938 /nfs/dbraw/zinc/18/89/38/237188938.db2.gz AIAKALVJUOGOEX-INIZCTEOSA-N 1 2 347.434 2.394 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)CCC2 ZINC000350657831 238202374 /nfs/dbraw/zinc/20/23/74/238202374.db2.gz SRQXYNUBACGYDB-ROUUACIJSA-N 1 2 347.422 2.439 20 30 EEEDLO C=CCC[C@H](C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1)c1ccccc1 ZINC000189503334 201047896 /nfs/dbraw/zinc/04/78/96/201047896.db2.gz BBHIMYLKDIRXNW-MJGOQNOKSA-N 1 2 329.488 2.489 20 30 EEEDLO C=C(C)[C@H](CC(=O)N1CC[NH+](Cc2c(C)noc2C)CC1)OCC ZINC000270055091 201234893 /nfs/dbraw/zinc/23/48/93/201234893.db2.gz SINOMNUBABROIJ-KRWDZBQOSA-N 1 2 335.448 2.307 20 30 EEEDLO Cn1cc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1C#N ZINC000191446048 239119405 /nfs/dbraw/zinc/11/94/05/239119405.db2.gz WWBLEFNDVOQWMQ-MOPGFXCFSA-N 1 2 325.412 2.221 20 30 EEEDLO Cn1cc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1C#N ZINC000191446048 239119414 /nfs/dbraw/zinc/11/94/14/239119414.db2.gz WWBLEFNDVOQWMQ-MOPGFXCFSA-N 1 2 325.412 2.221 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000279565607 201319926 /nfs/dbraw/zinc/31/99/26/201319926.db2.gz SOWWEPHGPQRAGF-INIZCTEOSA-N 1 2 347.459 2.114 20 30 EEEDLO CC(C)CN1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1=O ZINC000426200446 241232848 /nfs/dbraw/zinc/23/28/48/241232848.db2.gz HTXULNCLVGFABK-OAHLLOKOSA-N 1 2 342.443 2.076 20 30 EEEDLO CC(C)CN1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1=O ZINC000426200446 241232854 /nfs/dbraw/zinc/23/28/54/241232854.db2.gz HTXULNCLVGFABK-OAHLLOKOSA-N 1 2 342.443 2.076 20 30 EEEDLO CC1(F)CC(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000455140515 243946946 /nfs/dbraw/zinc/94/69/46/243946946.db2.gz NIJCSYJTEFDNMN-UHFFFAOYSA-N 1 2 330.407 2.276 20 30 EEEDLO N#Cc1ncc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000455785369 244078191 /nfs/dbraw/zinc/07/81/91/244078191.db2.gz LXIGXVNJMJZDGL-LLVKDONJSA-N 1 2 342.790 2.402 20 30 EEEDLO COc1ccccc1CC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000071836931 203124398 /nfs/dbraw/zinc/12/43/98/203124398.db2.gz LDRPRFWRCUDYHQ-UHFFFAOYSA-N 1 2 349.434 2.454 20 30 EEEDLO C=CCC[C@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)C(=O)OCC ZINC000456632118 244310631 /nfs/dbraw/zinc/31/06/31/244310631.db2.gz SZERWGIBKVNXMJ-IRXDYDNUSA-N 1 2 330.428 2.275 20 30 EEEDLO C=CCC[C@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)C(=O)OCC ZINC000456632118 244310634 /nfs/dbraw/zinc/31/06/34/244310634.db2.gz SZERWGIBKVNXMJ-IRXDYDNUSA-N 1 2 330.428 2.275 20 30 EEEDLO C#CCOc1ccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000158922280 205377821 /nfs/dbraw/zinc/37/78/21/205377821.db2.gz BIQQTVRJRAKKBB-UHFFFAOYSA-N 1 2 335.407 2.052 20 30 EEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000491404472 246020435 /nfs/dbraw/zinc/02/04/35/246020435.db2.gz CAIDXOQMPVAQCK-CYBMUJFWSA-N 1 2 330.819 2.477 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000491404472 246020441 /nfs/dbraw/zinc/02/04/41/246020441.db2.gz CAIDXOQMPVAQCK-CYBMUJFWSA-N 1 2 330.819 2.477 20 30 EEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000266209525 248174999 /nfs/dbraw/zinc/17/49/99/248174999.db2.gz UPYLFEUUIPQQEP-UHFFFAOYSA-N 1 2 339.848 2.070 20 30 EEEDLO CCOC(=O)C1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000176981109 207281403 /nfs/dbraw/zinc/28/14/03/207281403.db2.gz UQJWWYPKDMIQEY-CQSZACIVSA-N 1 2 347.440 2.000 20 30 EEEDLO C#CCn1ccc(CN(CCOC)Cc2cn3cc(C)ccc3[nH+]2)n1 ZINC000491808503 533219028 /nfs/dbraw/zinc/21/90/28/533219028.db2.gz WAQQXEGCNRBBIF-UHFFFAOYSA-N 1 2 337.427 2.121 20 30 EEEDLO C[N@H+](CCOc1ccc(F)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115532901 152026999 /nfs/dbraw/zinc/02/69/99/152026999.db2.gz USEMOVFSPCIJKE-QGZVFWFLSA-N 1 2 327.359 2.235 20 30 EEEDLO C[N@@H+](CCOc1ccc(F)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115532901 152027003 /nfs/dbraw/zinc/02/70/03/152027003.db2.gz USEMOVFSPCIJKE-QGZVFWFLSA-N 1 2 327.359 2.235 20 30 EEEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000343143929 161107650 /nfs/dbraw/zinc/10/76/50/161107650.db2.gz RVMBZMCCWIQKED-RHSMWYFYSA-N 1 2 326.400 2.363 20 30 EEEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000343143928 161107736 /nfs/dbraw/zinc/10/77/36/161107736.db2.gz RVMBZMCCWIQKED-PBHICJAKSA-N 1 2 326.400 2.363 20 30 EEEDLO COc1ccc(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)cc1C#N ZINC000364053290 165012347 /nfs/dbraw/zinc/01/23/47/165012347.db2.gz GTOYXRJUQRDSEW-OAHLLOKOSA-N 1 2 328.393 2.185 20 30 EEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000301107735 267086666 /nfs/dbraw/zinc/08/66/66/267086666.db2.gz UXYZFBXUDFOQEC-CALCHBBNSA-N 1 2 340.471 2.185 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000279847254 269310542 /nfs/dbraw/zinc/31/05/42/269310542.db2.gz RWVHUOQXZLIVEZ-BKEDOTJMSA-N 1 2 343.427 2.154 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000279847254 269310544 /nfs/dbraw/zinc/31/05/44/269310544.db2.gz RWVHUOQXZLIVEZ-BKEDOTJMSA-N 1 2 343.427 2.154 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)[C@H](C(N)=O)C1 ZINC000191841154 274053206 /nfs/dbraw/zinc/05/32/06/274053206.db2.gz GWYYUWXWCOTFKN-YGRLFVJLSA-N 1 2 336.233 2.407 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)[C@H](C(N)=O)C1 ZINC000191841154 274053208 /nfs/dbraw/zinc/05/32/08/274053208.db2.gz GWYYUWXWCOTFKN-YGRLFVJLSA-N 1 2 336.233 2.407 20 30 EEEDLO C#C[C@@H](C)N(C)C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000491660307 275385430 /nfs/dbraw/zinc/38/54/30/275385430.db2.gz JLLWBQVLLMFRIV-SECBINFHSA-N 1 2 325.210 2.396 20 30 EEEDLO C[C@H]([C@H](C)NC(=O)C(C)(C)Cc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000455464717 290202127 /nfs/dbraw/zinc/20/21/27/290202127.db2.gz ONHXPZCQECDFRT-JKSUJKDBSA-N 1 2 343.471 2.352 20 30 EEEDLO COC(=O)c1ccc(C[N@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000161776148 311369839 /nfs/dbraw/zinc/36/98/39/311369839.db2.gz KYKBAXPIRPMKJB-QGZVFWFLSA-N 1 2 337.379 2.003 20 30 EEEDLO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000161776148 311369840 /nfs/dbraw/zinc/36/98/40/311369840.db2.gz KYKBAXPIRPMKJB-QGZVFWFLSA-N 1 2 337.379 2.003 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)c1C#N ZINC000567335483 319369981 /nfs/dbraw/zinc/36/99/81/319369981.db2.gz TUPOQZGSKWYTHN-AWEZNQCLSA-N 1 2 344.411 2.115 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)c1C#N ZINC000567335483 319369983 /nfs/dbraw/zinc/36/99/83/319369983.db2.gz TUPOQZGSKWYTHN-AWEZNQCLSA-N 1 2 344.411 2.115 20 30 EEEDLO N#Cc1cnn2cc(C[N@@H+]3CCO[C@H](Cc4ccccc4)C3)cnc12 ZINC000581726792 324311796 /nfs/dbraw/zinc/31/17/96/324311796.db2.gz HIYZTSJGZDRNSG-GOSISDBHSA-N 1 2 333.395 2.044 20 30 EEEDLO N#Cc1cnn2cc(C[N@H+]3CCO[C@H](Cc4ccccc4)C3)cnc12 ZINC000581726792 324311802 /nfs/dbraw/zinc/31/18/02/324311802.db2.gz HIYZTSJGZDRNSG-GOSISDBHSA-N 1 2 333.395 2.044 20 30 EEEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)[C@@H](C)NC(=O)OC(C)(C)C ZINC000496405613 447769518 /nfs/dbraw/zinc/76/95/18/447769518.db2.gz JKSRXQUZHQJBOM-LLVKDONJSA-N 1 2 345.407 2.363 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2O)CC1 ZINC000042251199 463553212 /nfs/dbraw/zinc/55/32/12/463553212.db2.gz ZMWNCZDGBYUORH-MRXNPFEDSA-N 1 2 329.444 2.103 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)Nc3cccnc3)CC2)no1 ZINC000328621478 465075885 /nfs/dbraw/zinc/07/58/85/465075885.db2.gz ANNJREPNAOVFTN-HNNXBMFYSA-N 1 2 344.419 2.305 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)Nc3cccnc3)CC2)no1 ZINC000328621478 465075888 /nfs/dbraw/zinc/07/58/88/465075888.db2.gz ANNJREPNAOVFTN-HNNXBMFYSA-N 1 2 344.419 2.305 20 30 EEEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC000328687434 465099553 /nfs/dbraw/zinc/09/95/53/465099553.db2.gz GZJQDDUXLHTRKR-KGLIPLIRSA-N 1 2 329.404 2.073 20 30 EEEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC000328687434 465099557 /nfs/dbraw/zinc/09/95/57/465099557.db2.gz GZJQDDUXLHTRKR-KGLIPLIRSA-N 1 2 329.404 2.073 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCCC23CCOCC3)C1 ZINC000328693827 465101614 /nfs/dbraw/zinc/10/16/14/465101614.db2.gz CRNGHOSYCPTNJT-HUUCEWRRSA-N 1 2 332.448 2.473 20 30 EEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000328818484 465136899 /nfs/dbraw/zinc/13/68/99/465136899.db2.gz DNIJBWOQGRKELD-YPMHNXCESA-N 1 2 346.353 2.359 20 30 EEEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1CC(=O)NC(=O)NC1CC1)CCCC2 ZINC000328928431 465171171 /nfs/dbraw/zinc/17/11/71/465171171.db2.gz GNRDYNCOYQYCRO-HNNXBMFYSA-N 1 2 345.447 2.469 20 30 EEEDLO CC[C@@H](C(=O)N(CCC#N)Cc1ccccn1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339269172 465178407 /nfs/dbraw/zinc/17/84/07/465178407.db2.gz CEXUWMMOWBRMOM-MSOLQXFVSA-N 1 2 344.459 2.213 20 30 EEEDLO CC[C@@H](C(=O)N(CCC#N)Cc1ccccn1)[N@H+]1CCO[C@H](CC)C1 ZINC000339269172 465178411 /nfs/dbraw/zinc/17/84/11/465178411.db2.gz CEXUWMMOWBRMOM-MSOLQXFVSA-N 1 2 344.459 2.213 20 30 EEEDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000328946070 465177738 /nfs/dbraw/zinc/17/77/38/465177738.db2.gz MGACQIKTTZDZQR-KBPBESRZSA-N 1 2 345.447 2.151 20 30 EEEDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000328946070 465177745 /nfs/dbraw/zinc/17/77/45/465177745.db2.gz MGACQIKTTZDZQR-KBPBESRZSA-N 1 2 345.447 2.151 20 30 EEEDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)N[C@H](c3ccccc3)C3CC3)CC[C@@H]21 ZINC000328976553 465190092 /nfs/dbraw/zinc/19/00/92/465190092.db2.gz QENNQSNKKPHMPK-SOLBZPMBSA-N 1 2 342.443 2.397 20 30 EEEDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)N[C@H](c3ccccc3)C3CC3)CC[C@@H]21 ZINC000328976553 465190098 /nfs/dbraw/zinc/19/00/98/465190098.db2.gz QENNQSNKKPHMPK-SOLBZPMBSA-N 1 2 342.443 2.397 20 30 EEEDLO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000329094254 465231176 /nfs/dbraw/zinc/23/11/76/465231176.db2.gz AWGPSNGRQPCVTJ-JKIFEVAISA-N 1 2 334.420 2.189 20 30 EEEDLO C[C@@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)C(=O)NC1(C#N)CCC1 ZINC000337218730 465250623 /nfs/dbraw/zinc/25/06/23/465250623.db2.gz JFAKHUOWGMJEJU-MFKMUULPSA-N 1 2 339.798 2.053 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2c(F)cccc2F)C1=O ZINC000337229524 465255055 /nfs/dbraw/zinc/25/50/55/465255055.db2.gz RXVZXUIXTXMJPB-SMDDNHRTSA-N 1 2 337.370 2.011 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2c(F)cccc2F)C1=O ZINC000337229524 465255059 /nfs/dbraw/zinc/25/50/59/465255059.db2.gz RXVZXUIXTXMJPB-SMDDNHRTSA-N 1 2 337.370 2.011 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(C#N)c(F)c1)C(C)(C)CO ZINC000297478037 465258456 /nfs/dbraw/zinc/25/84/56/465258456.db2.gz RWMYIKJAMAIILI-AWEZNQCLSA-N 1 2 345.378 2.312 20 30 EEEDLO CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000355592885 465259039 /nfs/dbraw/zinc/25/90/39/465259039.db2.gz CIDOIVNTRXBSJF-HKUYNNGSSA-N 1 2 329.444 2.332 20 30 EEEDLO CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000355592885 465259041 /nfs/dbraw/zinc/25/90/41/465259041.db2.gz CIDOIVNTRXBSJF-HKUYNNGSSA-N 1 2 329.444 2.332 20 30 EEEDLO C=CCCCCCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000297604376 465263525 /nfs/dbraw/zinc/26/35/25/465263525.db2.gz BQQCCZRKGWMHEQ-SJORKVTESA-N 1 2 346.475 2.497 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000339443540 465278028 /nfs/dbraw/zinc/27/80/28/465278028.db2.gz WJMYFUPYIWGJDE-BXUZGUMPSA-N 1 2 335.370 2.179 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000339443540 465278033 /nfs/dbraw/zinc/27/80/33/465278033.db2.gz WJMYFUPYIWGJDE-BXUZGUMPSA-N 1 2 335.370 2.179 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)Nc2nc(C)c(C)s2)CC1 ZINC000341999837 465283919 /nfs/dbraw/zinc/28/39/19/465283919.db2.gz YLHDAOXHSWQCNY-LBPRGKRZSA-N 1 2 336.461 2.339 20 30 EEEDLO O=C(Nc1nnc(C2CCOCC2)s1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329292117 465289835 /nfs/dbraw/zinc/28/98/35/465289835.db2.gz AWUJVQCSXJVGRG-LLVKDONJSA-N 1 2 333.417 2.479 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCc2[nH+]c[nH]c2C1 ZINC000590598915 468283728 /nfs/dbraw/zinc/28/37/28/468283728.db2.gz DOLRMSLPYMGBLY-JTQLQIEISA-N 1 2 329.791 2.320 20 30 EEEDLO CC(=O)N[C@H]1CCCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000329722559 465416335 /nfs/dbraw/zinc/41/63/35/465416335.db2.gz BATXVNKMPMHVGP-KRWDZBQOSA-N 1 2 345.443 2.100 20 30 EEEDLO Cc1cccc2nc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)cn21 ZINC000060480548 462552629 /nfs/dbraw/zinc/55/26/29/462552629.db2.gz FGPNVHIJDKOXAZ-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO Cc1cccc2[nH+]c(CN3CCN(c4ccc(C#N)cn4)CC3)cn21 ZINC000060480548 462552634 /nfs/dbraw/zinc/55/26/34/462552634.db2.gz FGPNVHIJDKOXAZ-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO C=CCCOCCNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000127449486 462555379 /nfs/dbraw/zinc/55/53/79/462555379.db2.gz LIXVKMFWBZZLAG-INIZCTEOSA-N 1 2 332.448 2.063 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1cn[nH]c1 ZINC000085825295 462562520 /nfs/dbraw/zinc/56/25/20/462562520.db2.gz UPIADWLIAWUWKQ-SNVBAGLBSA-N 1 2 329.429 2.291 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1cn[nH]c1 ZINC000085825295 462562526 /nfs/dbraw/zinc/56/25/26/462562526.db2.gz UPIADWLIAWUWKQ-SNVBAGLBSA-N 1 2 329.429 2.291 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000153400547 462646384 /nfs/dbraw/zinc/64/63/84/462646384.db2.gz IPQFVDOCOQBOFQ-KFWWJZLASA-N 1 2 337.464 2.151 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000153400547 462646389 /nfs/dbraw/zinc/64/63/89/462646389.db2.gz IPQFVDOCOQBOFQ-KFWWJZLASA-N 1 2 337.464 2.151 20 30 EEEDLO C=CCCS(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000129966894 462733651 /nfs/dbraw/zinc/73/36/51/462733651.db2.gz WYAUUEPIVWYLOH-OAHLLOKOSA-N 1 2 335.429 2.014 20 30 EEEDLO C=C[C@@H](CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000130866722 462779219 /nfs/dbraw/zinc/77/92/19/462779219.db2.gz NUCIBEDCRYKFCH-KRWDZBQOSA-N 1 2 338.455 2.424 20 30 EEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCc2n[nH]cc2C1 ZINC000091079219 462830796 /nfs/dbraw/zinc/83/07/96/462830796.db2.gz WVLXQVGKHUMCOR-FVRSWCFKSA-N 1 2 329.448 2.087 20 30 EEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCc2n[nH]cc2C1 ZINC000091079219 462830800 /nfs/dbraw/zinc/83/08/00/462830800.db2.gz WVLXQVGKHUMCOR-FVRSWCFKSA-N 1 2 329.448 2.087 20 30 EEEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000155324381 462873854 /nfs/dbraw/zinc/87/38/54/462873854.db2.gz QZKDWSFDTNTEFW-CVEARBPZSA-N 1 2 346.450 2.344 20 30 EEEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000155324381 462873855 /nfs/dbraw/zinc/87/38/55/462873855.db2.gz QZKDWSFDTNTEFW-CVEARBPZSA-N 1 2 346.450 2.344 20 30 EEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCc1cn2ccccc2[nH+]1 ZINC000156174028 462990066 /nfs/dbraw/zinc/99/00/66/462990066.db2.gz BDYAALYIUVXKQK-UHFFFAOYSA-N 1 2 346.799 2.338 20 30 EEEDLO COc1cccc2sc(NC(=O)C[NH+]3CCC(C(N)=O)CC3)nc21 ZINC000051200064 463025798 /nfs/dbraw/zinc/02/57/98/463025798.db2.gz VHKONTZAAULYEL-UHFFFAOYSA-N 1 2 348.428 2.090 20 30 EEEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000134366620 463030135 /nfs/dbraw/zinc/03/01/35/463030135.db2.gz BRWVWGLAEQDVHS-MRXNPFEDSA-N 1 2 340.876 2.094 20 30 EEEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000134366620 463030139 /nfs/dbraw/zinc/03/01/39/463030139.db2.gz BRWVWGLAEQDVHS-MRXNPFEDSA-N 1 2 340.876 2.094 20 30 EEEDLO CC(C)[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000120767350 463036463 /nfs/dbraw/zinc/03/64/63/463036463.db2.gz VSPKLGVMFGYODK-CQSZACIVSA-N 1 2 340.362 2.332 20 30 EEEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000023607538 463068922 /nfs/dbraw/zinc/06/89/22/463068922.db2.gz AHNFSWKSUVEKIE-LLVKDONJSA-N 1 2 342.424 2.409 20 30 EEEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000023607538 463068924 /nfs/dbraw/zinc/06/89/24/463068924.db2.gz AHNFSWKSUVEKIE-LLVKDONJSA-N 1 2 342.424 2.409 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000069071972 463205316 /nfs/dbraw/zinc/20/53/16/463205316.db2.gz IADDRXCTBXJLRW-INIZCTEOSA-N 1 2 342.443 2.015 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000069071972 463205320 /nfs/dbraw/zinc/20/53/20/463205320.db2.gz IADDRXCTBXJLRW-INIZCTEOSA-N 1 2 342.443 2.015 20 30 EEEDLO CCc1ccccc1NC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000028753562 463233138 /nfs/dbraw/zinc/23/31/38/463233138.db2.gz VJMAGHAIKOJDSP-UHFFFAOYSA-N 1 2 349.438 2.276 20 30 EEEDLO C=CC[N@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1ccccc1F ZINC000079889048 463257795 /nfs/dbraw/zinc/25/77/95/463257795.db2.gz WVOSFYQKVLEYMV-UHFFFAOYSA-N 1 2 348.418 2.179 20 30 EEEDLO C=CC[N@@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1ccccc1F ZINC000079889048 463257799 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CCC[N@@H+](CC#N)CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000058912449 463631779 /nfs/dbraw/zinc/63/17/79/463631779.db2.gz NSHCBMRBZTYYGY-UHFFFAOYSA-N 1 2 332.423 2.100 20 30 EEEDLO CCC[N@H+](CC#N)CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000058912449 463631786 /nfs/dbraw/zinc/63/17/86/463631786.db2.gz NSHCBMRBZTYYGY-UHFFFAOYSA-N 1 2 332.423 2.100 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)O[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000177477819 463714962 /nfs/dbraw/zinc/71/49/62/463714962.db2.gz JEVALDSSUGWJDM-AWEZNQCLSA-N 1 2 333.432 2.340 20 30 EEEDLO CCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H](CC)C(=O)OCC ZINC000276775227 463752915 /nfs/dbraw/zinc/75/29/15/463752915.db2.gz IICVLNALRSEFOJ-KRWDZBQOSA-N 1 2 345.443 2.228 20 30 EEEDLO CCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H](CC)C(=O)OCC ZINC000276775227 463752920 /nfs/dbraw/zinc/75/29/20/463752920.db2.gz IICVLNALRSEFOJ-KRWDZBQOSA-N 1 2 345.443 2.228 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000177788724 463791310 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/nfs/dbraw/zinc/13/03/99/464130399.db2.gz JWIRLQZMKYBCNN-JFIYKMOQSA-N 1 2 330.476 2.422 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279767733 464147005 /nfs/dbraw/zinc/14/70/05/464147005.db2.gz MUYOCWYOABLOBV-CABCVRRESA-N 1 2 343.427 2.155 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279767733 464147010 /nfs/dbraw/zinc/14/70/10/464147010.db2.gz MUYOCWYOABLOBV-CABCVRRESA-N 1 2 343.427 2.155 20 30 EEEDLO C[C@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccccc1F ZINC000263826702 464206936 /nfs/dbraw/zinc/20/69/36/464206936.db2.gz PUSMRMHBHRXKTA-MRXNPFEDSA-N 1 2 347.434 2.394 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000188252881 464237658 /nfs/dbraw/zinc/23/76/58/464237658.db2.gz WRIHJBODZNTBNA-DNVCBOLYSA-N 1 2 347.459 2.152 20 30 EEEDLO CC(C)c1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c(O)c1 ZINC000271277074 464290630 /nfs/dbraw/zinc/29/06/30/464290630.db2.gz NKURWXURRHKGKX-UHFFFAOYSA-N 1 2 345.443 2.204 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000180451498 464313622 /nfs/dbraw/zinc/31/36/22/464313622.db2.gz OYZYJMHBMSZZTA-OAHLLOKOSA-N 1 2 332.448 2.462 20 30 EEEDLO CO[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000292730923 464322887 /nfs/dbraw/zinc/32/28/87/464322887.db2.gz TWOGRVNFPGXXDH-RBUKOAKNSA-N 1 2 341.455 2.408 20 30 EEEDLO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)C(C)(C)C#N ZINC000281093074 464330114 /nfs/dbraw/zinc/33/01/14/464330114.db2.gz CDDZCVNCKNHKMH-STQMWFEESA-N 1 2 338.452 2.372 20 30 EEEDLO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)C(C)(C)C#N ZINC000281093074 464330120 /nfs/dbraw/zinc/33/01/20/464330120.db2.gz CDDZCVNCKNHKMH-STQMWFEESA-N 1 2 338.452 2.372 20 30 EEEDLO CS(=O)(=O)C[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000293467404 464406850 /nfs/dbraw/zinc/40/68/50/464406850.db2.gz XCJHFEPNNYXCLV-HNNXBMFYSA-N 1 2 325.861 2.448 20 30 EEEDLO CS(=O)(=O)C[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000293467404 464406855 /nfs/dbraw/zinc/40/68/55/464406855.db2.gz XCJHFEPNNYXCLV-HNNXBMFYSA-N 1 2 325.861 2.448 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N2CCCc3ccccc32)C1=O ZINC000281509628 464484541 /nfs/dbraw/zinc/48/45/41/464484541.db2.gz YPHYFHOGFHDKBY-QAPCUYQASA-N 1 2 341.455 2.073 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N2CCCc3ccccc32)C1=O ZINC000281509628 464484545 /nfs/dbraw/zinc/48/45/45/464484545.db2.gz YPHYFHOGFHDKBY-QAPCUYQASA-N 1 2 341.455 2.073 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000264896599 464503058 /nfs/dbraw/zinc/50/30/58/464503058.db2.gz WJHUQVUIKZEJTO-HNNXBMFYSA-N 1 2 344.434 2.289 20 30 EEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)C[C@H]21 ZINC000285549020 464605545 /nfs/dbraw/zinc/60/55/45/464605545.db2.gz VBNCIYZJPSTRQF-RCCFBDPRSA-N 1 2 342.443 2.146 20 30 EEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)C[C@H]21 ZINC000285549020 464605550 /nfs/dbraw/zinc/60/55/50/464605550.db2.gz VBNCIYZJPSTRQF-RCCFBDPRSA-N 1 2 342.443 2.146 20 30 EEEDLO C[C@H](c1nnc(SC[C@H](O)CC#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000294995555 464673893 /nfs/dbraw/zinc/67/38/93/464673893.db2.gz QVXLRVQAKQFOCR-BXUZGUMPSA-N 1 2 349.435 2.396 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(C2CC2)cc1 ZINC000597024901 468419349 /nfs/dbraw/zinc/41/93/49/468419349.db2.gz QPARZKFVNCSCRO-UHFFFAOYSA-N 1 2 327.428 2.252 20 30 EEEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000266212985 464768956 /nfs/dbraw/zinc/76/89/56/464768956.db2.gz OZHIVCCHNJDOAB-KGLIPLIRSA-N 1 2 333.432 2.314 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/c1ccc(F)c(F)c1 ZINC000286042051 464784808 /nfs/dbraw/zinc/78/48/08/464784808.db2.gz QNOJIRXNFCKRTR-HWKANZROSA-N 1 2 349.381 2.052 20 30 EEEDLO Cc1cc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc[nH+]1 ZINC000192245605 464892653 /nfs/dbraw/zinc/89/26/53/464892653.db2.gz SDCVZMVSTYKCND-KRWDZBQOSA-N 1 2 349.394 2.184 20 30 EEEDLO N#C[C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCN1Cc1ccccc1 ZINC000548086078 468428480 /nfs/dbraw/zinc/42/84/80/468428480.db2.gz NWARHVWTECXCCY-DLBZAZTESA-N 1 2 349.438 2.066 20 30 EEEDLO Cc1cccc(-c2nnc(SC[C@@H](O)C[N@H+](C)CCC#N)o2)c1 ZINC000591241273 468431161 /nfs/dbraw/zinc/43/11/61/468431161.db2.gz YRIVKKLRGNYRDK-AWEZNQCLSA-N 1 2 332.429 2.344 20 30 EEEDLO Cc1cccc(-c2nnc(SC[C@@H](O)C[N@@H+](C)CCC#N)o2)c1 ZINC000591241273 468431166 /nfs/dbraw/zinc/43/11/66/468431166.db2.gz YRIVKKLRGNYRDK-AWEZNQCLSA-N 1 2 332.429 2.344 20 30 EEEDLO CCN1CCN(C(=O)NC[C@@H]2CCCCS2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329943730 465483428 /nfs/dbraw/zinc/48/34/28/465483428.db2.gz DTLTWYDICOSFAM-KBPBESRZSA-N 1 2 337.493 2.288 20 30 EEEDLO N#Cc1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1Br ZINC000352272153 465512637 /nfs/dbraw/zinc/51/26/37/465512637.db2.gz VALJTKDQNBSUJM-UHFFFAOYSA-N 1 2 346.188 2.620 20 30 EEEDLO CC(C)(C)C1=CC[N@H+](CCNC(=O)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000330044129 465516256 /nfs/dbraw/zinc/51/62/56/465516256.db2.gz CQPINZSSVMAZDQ-CQSZACIVSA-N 1 2 342.505 2.446 20 30 EEEDLO CC(C)(C)C1=CC[N@@H+](CCNC(=O)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000330044129 465516260 /nfs/dbraw/zinc/51/62/60/465516260.db2.gz CQPINZSSVMAZDQ-CQSZACIVSA-N 1 2 342.505 2.446 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000352323238 465516355 /nfs/dbraw/zinc/51/63/55/465516355.db2.gz AJEQYNTYXQEYCR-CQSZACIVSA-N 1 2 332.448 2.039 20 30 EEEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccnn2C2CCCC2)CC1 ZINC000330052612 465518199 /nfs/dbraw/zinc/51/81/99/465518199.db2.gz PIDHCUIAATXSKF-UHFFFAOYSA-N 1 2 347.463 2.123 20 30 EEEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccnn2C2CCCC2)CC1 ZINC000330052612 465518205 /nfs/dbraw/zinc/51/82/05/465518205.db2.gz PIDHCUIAATXSKF-UHFFFAOYSA-N 1 2 347.463 2.123 20 30 EEEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NC(=O)NCC ZINC000352913974 465568849 /nfs/dbraw/zinc/56/88/49/465568849.db2.gz JJTFHPGAYWQXIY-CQSZACIVSA-N 1 2 335.452 2.076 20 30 EEEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NC(=O)NCC ZINC000352913974 465568855 /nfs/dbraw/zinc/56/88/55/465568855.db2.gz JJTFHPGAYWQXIY-CQSZACIVSA-N 1 2 335.452 2.076 20 30 EEEDLO COC[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccco1 ZINC000299068294 465585460 /nfs/dbraw/zinc/58/54/60/465585460.db2.gz SWHDGDQPWIOAJB-STQMWFEESA-N 1 2 331.397 2.295 20 30 EEEDLO CCN1CC[N@H+](Cc2cc(C#N)ccc2OC)C[C@@H]1c1ncc[nH]1 ZINC000348413731 465590586 /nfs/dbraw/zinc/59/05/86/465590586.db2.gz WYBDCGKRWBMKQA-MRXNPFEDSA-N 1 2 325.416 2.169 20 30 EEEDLO CCN1CC[N@@H+](Cc2cc(C#N)ccc2OC)C[C@@H]1c1ncc[nH]1 ZINC000348413731 465590591 /nfs/dbraw/zinc/59/05/91/465590591.db2.gz WYBDCGKRWBMKQA-MRXNPFEDSA-N 1 2 325.416 2.169 20 30 EEEDLO Cc1csc(CNC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)n1 ZINC000330329956 465615343 /nfs/dbraw/zinc/61/53/43/465615343.db2.gz MYRFDGVMXMGLBZ-DGCLKSJQSA-N 1 2 335.433 2.109 20 30 EEEDLO C[C@@H]1CN(c2ccc(CNC(=O)N(C)CC(F)(F)F)c[nH+]2)CCO1 ZINC000330371376 465633293 /nfs/dbraw/zinc/63/32/93/465633293.db2.gz ISLNMNJWTXUSFM-LLVKDONJSA-N 1 2 346.353 2.215 20 30 EEEDLO C=CCCn1cc(C[N@@H+](CCOC)Cc2ccc(C#N)cc2)nn1 ZINC000593952857 468443694 /nfs/dbraw/zinc/44/36/94/468443694.db2.gz IZQARIYINQCMKH-UHFFFAOYSA-N 1 2 325.416 2.374 20 30 EEEDLO C=CCCn1cc(C[N@H+](CCOC)Cc2ccc(C#N)cc2)nn1 ZINC000593952857 468443698 /nfs/dbraw/zinc/44/36/98/468443698.db2.gz IZQARIYINQCMKH-UHFFFAOYSA-N 1 2 325.416 2.374 20 30 EEEDLO CCOc1ncc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1Cl ZINC000330737612 465782788 /nfs/dbraw/zinc/78/27/88/465782788.db2.gz YHVKRSCIINKJRC-LLVKDONJSA-N 1 2 327.812 2.159 20 30 EEEDLO CCOc1ncc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cc1Cl ZINC000330737612 465782792 /nfs/dbraw/zinc/78/27/92/465782792.db2.gz YHVKRSCIINKJRC-LLVKDONJSA-N 1 2 327.812 2.159 20 30 EEEDLO O=C(NCC#Cc1cccc(F)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338075674 465800411 /nfs/dbraw/zinc/80/04/11/465800411.db2.gz GSMXJKINTIAAQJ-UHFFFAOYSA-N 1 2 326.375 2.490 20 30 EEEDLO Cn1ccnc1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000299675552 465852136 /nfs/dbraw/zinc/85/21/36/465852136.db2.gz MPGBCBVKDTYYDC-UHFFFAOYSA-N 1 2 343.456 2.303 20 30 EEEDLO Cn1ccnc1C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000299675552 465852137 /nfs/dbraw/zinc/85/21/37/465852137.db2.gz MPGBCBVKDTYYDC-UHFFFAOYSA-N 1 2 343.456 2.303 20 30 EEEDLO C[C@@H]1CCN(C([O-])=[NH+]CCOCC(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000330943975 465868455 /nfs/dbraw/zinc/86/84/55/465868455.db2.gz GAIIXICJKIIDNE-NEPJUHHUSA-N 1 2 334.342 2.259 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000345756245 465899161 /nfs/dbraw/zinc/89/91/61/465899161.db2.gz AGNBRWPWYXBDFR-CQSZACIVSA-N 1 2 346.862 2.413 20 30 EEEDLO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1c(C)cc[nH+]c1C ZINC000331239263 465994890 /nfs/dbraw/zinc/99/48/90/465994890.db2.gz JRYORMYWRATPPB-UHFFFAOYSA-N 1 2 337.401 2.486 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCOCC3(CCCC3)C2)cc1 ZINC000372289716 466279103 /nfs/dbraw/zinc/27/91/03/466279103.db2.gz QUDJXEPCKMUKTH-UHFFFAOYSA-N 1 2 348.468 2.225 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCOCC3(CCCC3)C2)cc1 ZINC000372289716 466279110 /nfs/dbraw/zinc/27/91/10/466279110.db2.gz QUDJXEPCKMUKTH-UHFFFAOYSA-N 1 2 348.468 2.225 20 30 EEEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000357918919 466319004 /nfs/dbraw/zinc/31/90/04/466319004.db2.gz BTAVOHIQULYFJX-UONOGXRCSA-N 1 2 331.416 2.259 20 30 EEEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000357918919 466319010 /nfs/dbraw/zinc/31/90/10/466319010.db2.gz BTAVOHIQULYFJX-UONOGXRCSA-N 1 2 331.416 2.259 20 30 EEEDLO N#Cc1ccsc1NC(=O)CCN1CC[NH+](Cc2ccco2)CC1 ZINC000357921616 466321752 /nfs/dbraw/zinc/32/17/52/466321752.db2.gz DNJVHZRQFFYQHQ-UHFFFAOYSA-N 1 2 344.440 2.359 20 30 EEEDLO C=C(C)Cn1c(CC(C)(C)C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000338848106 466423591 /nfs/dbraw/zinc/42/35/91/466423591.db2.gz YBPBIDAHYXNYFB-UHFFFAOYSA-N 1 2 335.496 2.211 20 30 EEEDLO C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000338866843 466440551 /nfs/dbraw/zinc/44/05/51/466440551.db2.gz KSXYUAREOGINQF-KRWDZBQOSA-N 1 2 347.507 2.354 20 30 EEEDLO CC(C)(C[NH+]1CCOCC1)Nc1nc(C(F)(F)F)ccc1C#N ZINC000308662265 466498295 /nfs/dbraw/zinc/49/82/95/466498295.db2.gz FCENZGGYGSIRIN-UHFFFAOYSA-N 1 2 328.338 2.495 20 30 EEEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000354359687 466504745 /nfs/dbraw/zinc/50/47/45/466504745.db2.gz GBERPCXAOGXPIW-UHFFFAOYSA-N 1 2 348.406 2.165 20 30 EEEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000372611226 466506627 /nfs/dbraw/zinc/50/66/27/466506627.db2.gz JGJHDRGNTXMKHR-KGLIPLIRSA-N 1 2 347.440 2.018 20 30 EEEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000372611226 466506637 /nfs/dbraw/zinc/50/66/37/466506637.db2.gz JGJHDRGNTXMKHR-KGLIPLIRSA-N 1 2 347.440 2.018 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCn2cc[nH+]c2C1 ZINC000332642345 466546412 /nfs/dbraw/zinc/54/64/12/466546412.db2.gz YTPLCMFQBNCGHN-NSHDSACASA-N 1 2 329.791 2.251 20 30 EEEDLO N#Cc1ccc(Br)c(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1 ZINC000372809246 466598581 /nfs/dbraw/zinc/59/85/81/466598581.db2.gz XFODGSWNYQTIEI-LNSITVRQSA-N 1 2 348.244 2.407 20 30 EEEDLO N#Cc1ccc(Br)c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1 ZINC000372809246 466598582 /nfs/dbraw/zinc/59/85/82/466598582.db2.gz XFODGSWNYQTIEI-LNSITVRQSA-N 1 2 348.244 2.407 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000333379969 466617914 /nfs/dbraw/zinc/61/79/14/466617914.db2.gz AQZKCCVZAJMXQN-RYRKJORJSA-N 1 2 346.475 2.365 20 30 EEEDLO COc1ccc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)cc1OCCCC#N ZINC000421361231 466654606 /nfs/dbraw/zinc/65/46/06/466654606.db2.gz KPXHZTVHQUFRHD-INIZCTEOSA-N 1 2 348.443 2.349 20 30 EEEDLO COc1ccc(C[N@H+]2C[C@@H](CO)OC(C)(C)C2)cc1OCCCC#N ZINC000421361231 466654611 /nfs/dbraw/zinc/65/46/11/466654611.db2.gz KPXHZTVHQUFRHD-INIZCTEOSA-N 1 2 348.443 2.349 20 30 EEEDLO N#CCCCOc1cccnc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364423266 466700034 /nfs/dbraw/zinc/70/00/34/466700034.db2.gz RPANDKGETNLBEL-CYBMUJFWSA-N 1 2 325.372 2.162 20 30 EEEDLO Cc1[nH+]c2ccccc2n1C1CCN(S(=O)(=O)[C@H](C)C#N)CC1 ZINC000416475713 466736249 /nfs/dbraw/zinc/73/62/49/466736249.db2.gz KODLGXZSPKGZQU-GFCCVEGCSA-N 1 2 332.429 2.224 20 30 EEEDLO N#CCCC[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000369724002 466747284 /nfs/dbraw/zinc/74/72/84/466747284.db2.gz SVXACDQBFNDSKM-UHFFFAOYSA-N 1 2 330.251 2.493 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)c3ccccn3)CC2)ccc1F ZINC000370434672 466877183 /nfs/dbraw/zinc/87/71/83/466877183.db2.gz WAOVZZBYXQKZKR-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)c3ccccn3)CC2)ccc1F ZINC000370434672 466877188 /nfs/dbraw/zinc/87/71/88/466877188.db2.gz WAOVZZBYXQKZKR-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO C#CCCCS(=O)(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000376239741 466901260 /nfs/dbraw/zinc/90/12/60/466901260.db2.gz DBPNYXYUIPRUDM-UHFFFAOYSA-N 1 2 335.473 2.295 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000377010084 466997431 /nfs/dbraw/zinc/99/74/31/466997431.db2.gz PNSBJQNEWALWRN-KRWDZBQOSA-N 1 2 337.489 2.406 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000377010084 466997435 /nfs/dbraw/zinc/99/74/35/466997435.db2.gz PNSBJQNEWALWRN-KRWDZBQOSA-N 1 2 337.489 2.406 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000424500871 467061580 /nfs/dbraw/zinc/06/15/80/467061580.db2.gz KQFMNWJMCLAZFZ-CVEARBPZSA-N 1 2 335.473 2.159 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000424500871 467061583 /nfs/dbraw/zinc/06/15/83/467061583.db2.gz KQFMNWJMCLAZFZ-CVEARBPZSA-N 1 2 335.473 2.159 20 30 EEEDLO C[N@H+](Cc1ccc(CC#N)cc1)Cc1ccccc1S(N)(=O)=O ZINC000433006584 467283801 /nfs/dbraw/zinc/28/38/01/467283801.db2.gz HTWOFSGJBOXWAW-UHFFFAOYSA-N 1 2 329.425 2.032 20 30 EEEDLO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccccc1S(N)(=O)=O ZINC000433006584 467283806 /nfs/dbraw/zinc/28/38/06/467283806.db2.gz HTWOFSGJBOXWAW-UHFFFAOYSA-N 1 2 329.425 2.032 20 30 EEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000413984805 467355543 /nfs/dbraw/zinc/35/55/43/467355543.db2.gz IVCOFJCFWDXSQZ-FUHWJXTLSA-N 1 2 326.444 2.326 20 30 EEEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429812412 467372902 /nfs/dbraw/zinc/37/29/02/467372902.db2.gz GYOAKNPYBOAKBO-UHFFFAOYSA-N 1 2 334.383 2.425 20 30 EEEDLO Cc1ccccc1-n1ccnc1SC[C@@H](O)C[N@H+](C)CCC#N ZINC000414092810 467376738 /nfs/dbraw/zinc/37/67/38/467376738.db2.gz GUIURFSVUUBHHI-HNNXBMFYSA-N 1 2 330.457 2.479 20 30 EEEDLO Cc1ccccc1-n1ccnc1SC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414092810 467376741 /nfs/dbraw/zinc/37/67/41/467376741.db2.gz GUIURFSVUUBHHI-HNNXBMFYSA-N 1 2 330.457 2.479 20 30 EEEDLO C=C(C)CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000452716084 467413550 /nfs/dbraw/zinc/41/35/50/467413550.db2.gz GKOHUDMQESKLHL-INIZCTEOSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C(C)CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000452716084 467413553 /nfs/dbraw/zinc/41/35/53/467413553.db2.gz GKOHUDMQESKLHL-INIZCTEOSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C(C)COc1cc(C[NH2+]Cc2nc3ncccn3n2)ccc1OC ZINC000414531420 467417463 /nfs/dbraw/zinc/41/74/63/467417463.db2.gz SURGBYCRTHYDFN-UHFFFAOYSA-N 1 2 339.399 2.378 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000437470022 467556407 /nfs/dbraw/zinc/55/64/07/467556407.db2.gz FTKUEYPLBBEUKZ-BZSNNMDCSA-N 1 2 338.492 2.221 20 30 EEEDLO COc1ccccc1[C@@H](CNC(=O)c1ccc(C#N)c(O)c1)[NH+](C)C ZINC000442623265 467576358 /nfs/dbraw/zinc/57/63/58/467576358.db2.gz SDCSLTAUIFDDNH-MRXNPFEDSA-N 1 2 339.395 2.305 20 30 EEEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cnn(C)c3C#N)n2)C1 ZINC000525994362 467647108 /nfs/dbraw/zinc/64/71/08/467647108.db2.gz MFZXNCLBGUFHEI-NSHDSACASA-N 1 2 344.444 2.232 20 30 EEEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cnn(C)c3C#N)n2)C1 ZINC000525994362 467647112 /nfs/dbraw/zinc/64/71/12/467647112.db2.gz MFZXNCLBGUFHEI-NSHDSACASA-N 1 2 344.444 2.232 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000527297938 467657983 /nfs/dbraw/zinc/65/79/83/467657983.db2.gz CVWPMSCTCMEBPZ-HNNXBMFYSA-N 1 2 349.438 2.181 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000527297938 467657986 /nfs/dbraw/zinc/65/79/86/467657986.db2.gz CVWPMSCTCMEBPZ-HNNXBMFYSA-N 1 2 349.438 2.181 20 30 EEEDLO C=CCOc1cccc(C[N@@H+]2CCc3[nH]nc(C(=O)OC)c3C2)c1 ZINC000449575409 467665301 /nfs/dbraw/zinc/66/53/01/467665301.db2.gz XTXBGFHVPCWXSK-UHFFFAOYSA-N 1 2 327.384 2.319 20 30 EEEDLO C=CCOc1cccc(C[N@H+]2CCc3[nH]nc(C(=O)OC)c3C2)c1 ZINC000449575409 467665304 /nfs/dbraw/zinc/66/53/04/467665304.db2.gz XTXBGFHVPCWXSK-UHFFFAOYSA-N 1 2 327.384 2.319 20 30 EEEDLO C=CCC1(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCCC1 ZINC000449800195 467716952 /nfs/dbraw/zinc/71/69/52/467716952.db2.gz FDFYZZGHORFHEQ-GOSISDBHSA-N 1 2 338.517 2.447 20 30 EEEDLO CCOC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000528725623 467740864 /nfs/dbraw/zinc/74/08/64/467740864.db2.gz RQQAHPYOVJZNAN-SFHVURJKSA-N 1 2 340.427 2.196 20 30 EEEDLO CCOC[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000528725623 467740867 /nfs/dbraw/zinc/74/08/67/467740867.db2.gz RQQAHPYOVJZNAN-SFHVURJKSA-N 1 2 340.427 2.196 20 30 EEEDLO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ncc(C#N)cn1 ZINC000497038145 467800437 /nfs/dbraw/zinc/80/04/37/467800437.db2.gz QENCVSLSMLMLMB-OLZOCXBDSA-N 1 2 331.420 2.083 20 30 EEEDLO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ncc(C#N)cn1 ZINC000497038145 467800442 /nfs/dbraw/zinc/80/04/42/467800442.db2.gz QENCVSLSMLMLMB-OLZOCXBDSA-N 1 2 331.420 2.083 20 30 EEEDLO CCc1nnc(N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)c(C#N)c1CC ZINC000530480212 467987819 /nfs/dbraw/zinc/98/78/19/467987819.db2.gz DYFARXCSJOVYBV-INIZCTEOSA-N 1 2 339.447 2.079 20 30 EEEDLO C=CCc1cc(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)cc(OC)c1O ZINC000494658936 468078018 /nfs/dbraw/zinc/07/80/18/468078018.db2.gz KDNHHDNAFGGRQG-OAHLLOKOSA-N 1 2 332.400 2.156 20 30 EEEDLO C=CCc1cc(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)cc(OC)c1O ZINC000494658936 468078019 /nfs/dbraw/zinc/07/80/19/468078019.db2.gz KDNHHDNAFGGRQG-OAHLLOKOSA-N 1 2 332.400 2.156 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000566306398 468149090 /nfs/dbraw/zinc/14/90/90/468149090.db2.gz ODHDDWHLHXTUQS-GOSISDBHSA-N 1 2 348.422 2.384 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1c(F)ccc(Br)c1F ZINC000566309823 468149605 /nfs/dbraw/zinc/14/96/05/468149605.db2.gz UGSFFXVQSLWYBH-CYBMUJFWSA-N 1 2 346.175 2.301 20 30 EEEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000533113541 468172981 /nfs/dbraw/zinc/17/29/81/468172981.db2.gz YRYZGNUYYHTWQU-UHFFFAOYSA-N 1 2 331.391 2.317 20 30 EEEDLO C#CCN(CC#CC)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000490678694 468234555 /nfs/dbraw/zinc/23/45/55/468234555.db2.gz OUYHORAOEQGMCE-UHFFFAOYSA-N 1 2 338.455 2.486 20 30 EEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000570146548 468595163 /nfs/dbraw/zinc/59/51/63/468595163.db2.gz WPNBIGYNTIZOHF-HNNXBMFYSA-N 1 2 327.432 2.164 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000592146303 468637243 /nfs/dbraw/zinc/63/72/43/468637243.db2.gz BHTCTQCVHKVKDT-CQSZACIVSA-N 1 2 339.189 2.028 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000592146303 468637246 /nfs/dbraw/zinc/63/72/46/468637246.db2.gz BHTCTQCVHKVKDT-CQSZACIVSA-N 1 2 339.189 2.028 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592146430 468637401 /nfs/dbraw/zinc/63/74/01/468637401.db2.gz HQPDZPPFGNUEHQ-IAQYHMDHSA-N 1 2 341.333 2.383 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592146430 468637404 /nfs/dbraw/zinc/63/74/04/468637404.db2.gz HQPDZPPFGNUEHQ-IAQYHMDHSA-N 1 2 341.333 2.383 20 30 EEEDLO COc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@@](O)(CC#N)C3)n2)cc1 ZINC000592149147 468638388 /nfs/dbraw/zinc/63/83/88/468638388.db2.gz JOCVFYGYKJRKIE-SJCJKPOMSA-N 1 2 328.372 2.157 20 30 EEEDLO COc1ccc(-c2noc([C@H](C)[N@H+]3CC[C@@](O)(CC#N)C3)n2)cc1 ZINC000592149147 468638391 /nfs/dbraw/zinc/63/83/91/468638391.db2.gz JOCVFYGYKJRKIE-SJCJKPOMSA-N 1 2 328.372 2.157 20 30 EEEDLO CC(C)C[C@@H](NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592147449 468639145 /nfs/dbraw/zinc/63/91/45/468639145.db2.gz MAQMTEQJOIZUNQ-IEBWSBKVSA-N 1 2 329.444 2.240 20 30 EEEDLO CC(C)C[C@@H](NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592147449 468639148 /nfs/dbraw/zinc/63/91/48/468639148.db2.gz MAQMTEQJOIZUNQ-IEBWSBKVSA-N 1 2 329.444 2.240 20 30 EEEDLO COc1cc(OC)c2ncc(C#N)c(N3CC(n4cc[nH+]c4)C3)c2c1 ZINC000557603243 468640239 /nfs/dbraw/zinc/64/02/39/468640239.db2.gz KJLPHODQCDGYCI-UHFFFAOYSA-N 1 2 335.367 2.381 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000592154926 468641599 /nfs/dbraw/zinc/64/15/99/468641599.db2.gz WHNLZSYKTQIPIW-CQSZACIVSA-N 1 2 336.189 2.441 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000592154926 468641602 /nfs/dbraw/zinc/64/16/02/468641602.db2.gz WHNLZSYKTQIPIW-CQSZACIVSA-N 1 2 336.189 2.441 20 30 EEEDLO N#CCc1ccccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000600965737 468700278 /nfs/dbraw/zinc/70/02/78/468700278.db2.gz AAPSEBZXZUGNFB-LJQANCHMSA-N 1 2 349.434 2.383 20 30 EEEDLO N#CCc1ccccc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000600965737 468700282 /nfs/dbraw/zinc/70/02/82/468700282.db2.gz AAPSEBZXZUGNFB-LJQANCHMSA-N 1 2 349.434 2.383 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)c(Br)c1O ZINC000592522157 468719506 /nfs/dbraw/zinc/71/95/06/468719506.db2.gz ILLRPJWTNGLSRS-CQSZACIVSA-N 1 2 341.205 2.014 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)c(Br)c1O ZINC000592522157 468719511 /nfs/dbraw/zinc/71/95/11/468719511.db2.gz ILLRPJWTNGLSRS-CQSZACIVSA-N 1 2 341.205 2.014 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000592521922 468720015 /nfs/dbraw/zinc/72/00/15/468720015.db2.gz DVALNIJYDCLGDZ-OAHLLOKOSA-N 1 2 337.217 2.234 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000592521922 468720021 /nfs/dbraw/zinc/72/00/21/468720021.db2.gz DVALNIJYDCLGDZ-OAHLLOKOSA-N 1 2 337.217 2.234 20 30 EEEDLO N#C[C@@]1(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC12CCCC2 ZINC000560074778 468764729 /nfs/dbraw/zinc/76/47/29/468764729.db2.gz NUDVWDFKUNLAOS-LJQANCHMSA-N 1 2 340.427 2.008 20 30 EEEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000584128830 468805153 /nfs/dbraw/zinc/80/51/53/468805153.db2.gz IALXFEJBRHEQOQ-LJQANCHMSA-N 1 2 343.427 2.042 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)n1C ZINC000602650659 468988513 /nfs/dbraw/zinc/98/85/13/468988513.db2.gz FNZGYNSLMAARFB-UHFFFAOYSA-N 1 2 338.411 2.264 20 30 EEEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc3c(cn2)OCCO3)CC1 ZINC000602653228 468990876 /nfs/dbraw/zinc/99/08/76/468990876.db2.gz NVMUUOXAVGOJRB-UHFFFAOYSA-N 1 2 336.395 2.305 20 30 EEEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1)c1ccc(Cl)cc1 ZINC000611173960 469180138 /nfs/dbraw/zinc/18/01/38/469180138.db2.gz AQSZXWHKGJXSKL-CABCVRRESA-N 1 2 348.878 2.437 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CCC[C@@](C)(C#N)C2)cc1 ZINC000602136180 469209455 /nfs/dbraw/zinc/20/94/55/469209455.db2.gz QXKCXGHESQEIOL-MJGOQNOKSA-N 1 2 327.428 2.422 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CCC[C@@](C)(C#N)C2)cc1 ZINC000602136180 469209462 /nfs/dbraw/zinc/20/94/62/469209462.db2.gz QXKCXGHESQEIOL-MJGOQNOKSA-N 1 2 327.428 2.422 20 30 EEEDLO COc1ccc(C#N)cc1CN1CCc2[nH+]c[nH]c2[C@H]1c1ccnn1C ZINC000599443585 469258545 /nfs/dbraw/zinc/25/85/45/469258545.db2.gz BYERYPGIARHTTA-LJQANCHMSA-N 1 2 348.410 2.171 20 30 EEEDLO C=CCOc1ccccc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615548973 469265238 /nfs/dbraw/zinc/26/52/38/469265238.db2.gz GIDQAUZHWWFXQK-MRXNPFEDSA-N 1 2 330.428 2.188 20 30 EEEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@](F)(C#N)C3)cn2c1 ZINC000615594740 469276551 /nfs/dbraw/zinc/27/65/51/469276551.db2.gz LUJDVTAUHFXVJQ-MRXNPFEDSA-N 1 2 332.404 2.340 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000615793737 469315729 /nfs/dbraw/zinc/31/57/29/469315729.db2.gz WUQBDHVXXHYJAO-LBPRGKRZSA-N 1 2 343.340 2.366 20 30 EEEDLO COC1CC[NH+](Cc2cn([C@H](C)c3cccc(C#N)c3)nn2)CC1 ZINC000603237330 469319329 /nfs/dbraw/zinc/31/93/29/469319329.db2.gz VXDVNHPQYBOPJL-CQSZACIVSA-N 1 2 325.416 2.370 20 30 EEEDLO CCOC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612157991 469407078 /nfs/dbraw/zinc/40/70/78/469407078.db2.gz GTSQKXJSJZDZDR-APWZRJJASA-N 1 2 346.427 2.229 20 30 EEEDLO CCOC(=O)c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612157991 469407082 /nfs/dbraw/zinc/40/70/82/469407082.db2.gz GTSQKXJSJZDZDR-APWZRJJASA-N 1 2 346.427 2.229 20 30 EEEDLO C=CC[C@H](C)NC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000604904617 469527047 /nfs/dbraw/zinc/52/70/47/469527047.db2.gz MEWLMYIHHBJSFV-AWEZNQCLSA-N 1 2 330.432 2.160 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000609485398 469932299 /nfs/dbraw/zinc/93/22/99/469932299.db2.gz PHQUVFDBIJAVBL-XDNAFOTISA-N 1 2 334.508 2.093 20 30 EEEDLO C=CCCCS(=O)(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632680462 470259723 /nfs/dbraw/zinc/25/97/23/470259723.db2.gz NJFPURKRDJBGKF-UHFFFAOYSA-N 1 2 341.502 2.020 20 30 EEEDLO Cc1cc(C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c(C)n1Cc1ccco1 ZINC000646031241 470499186 /nfs/dbraw/zinc/49/91/86/470499186.db2.gz SBSJIASYAMESQC-IBGZPJMESA-N 1 2 341.411 2.279 20 30 EEEDLO Cc1cc(C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c(C)n1Cc1ccco1 ZINC000646031241 470499190 /nfs/dbraw/zinc/49/91/90/470499190.db2.gz SBSJIASYAMESQC-IBGZPJMESA-N 1 2 341.411 2.279 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2nc(-c3cccc(Cl)c3)no2)nn1 ZINC000640860965 471075061 /nfs/dbraw/zinc/07/50/61/471075061.db2.gz AEJWBWYIKZEUIB-UHFFFAOYSA-N 1 2 342.790 2.143 20 30 EEEDLO C=CCCn1cc(C[NH2+]Cc2cc(OC)c(OC)c(OC)c2)nn1 ZINC000657292998 471087004 /nfs/dbraw/zinc/08/70/04/471087004.db2.gz IIARPFDDURQYLJ-UHFFFAOYSA-N 1 2 332.404 2.170 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000648110124 471088883 /nfs/dbraw/zinc/08/88/83/471088883.db2.gz DIXQPTFVIOCZDI-IXDOHACOSA-N 1 2 341.411 2.225 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2cc(F)ccc2C)nn1 ZINC000640905956 471109681 /nfs/dbraw/zinc/10/96/81/471109681.db2.gz OSDNPGCZGXKQFF-ZDUSSCGKSA-N 1 2 329.379 2.038 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2cc(C)cc(C)c2)nn1 ZINC000640907732 471111662 /nfs/dbraw/zinc/11/16/62/471111662.db2.gz WHCYRCNOJBGQRC-OAHLLOKOSA-N 1 2 325.416 2.208 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(OCC(F)(F)F)c2)nn1 ZINC000640989676 471155259 /nfs/dbraw/zinc/15/52/59/471155259.db2.gz ODTDPMWKYVDYSQ-UHFFFAOYSA-N 1 2 338.333 2.380 20 30 EEEDLO C=CC[C@H]1CCCN(C(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)C1 ZINC000658438119 471305431 /nfs/dbraw/zinc/30/54/31/471305431.db2.gz ZFPKBXLECHZDOT-AWEZNQCLSA-N 1 2 326.400 2.396 20 30 EEEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)nn1 ZINC000653556112 471665007 /nfs/dbraw/zinc/66/50/07/471665007.db2.gz OCHUFYJVNNVCCA-OAHLLOKOSA-N 1 2 333.480 2.229 20 30 EEEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)nn1 ZINC000653556112 471665011 /nfs/dbraw/zinc/66/50/11/471665011.db2.gz OCHUFYJVNNVCCA-OAHLLOKOSA-N 1 2 333.480 2.229 20 30 EEEDLO C=CCCn1cc(CNc2[nH+]c3ccccc3n2CCOC)nn1 ZINC000656771772 471836803 /nfs/dbraw/zinc/83/68/03/471836803.db2.gz DOAAFDUNFHRBOF-UHFFFAOYSA-N 1 2 326.404 2.462 20 30 EEEDLO C=CCOc1ccc(CNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)cc1 ZINC000664869915 471884250 /nfs/dbraw/zinc/88/42/50/471884250.db2.gz VNTVTGIUSUWOOZ-HZPDHXFCSA-N 1 2 347.459 2.160 20 30 EEEDLO C=CCOc1ccc(CNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1 ZINC000664869915 471884253 /nfs/dbraw/zinc/88/42/53/471884253.db2.gz VNTVTGIUSUWOOZ-HZPDHXFCSA-N 1 2 347.459 2.160 20 30 EEEDLO CC(=O)c1nc(CC[NH+]2CCN(c3ccccc3C#N)CC2)[nH]c1C ZINC000677477846 486439479 /nfs/dbraw/zinc/43/94/79/486439479.db2.gz AUQPYZJYYVZBHZ-UHFFFAOYSA-N 1 2 337.427 2.157 20 30 EEEDLO CC(=O)c1[nH]c(CC[NH+]2CCN(c3ccccc3C#N)CC2)nc1C ZINC000677477846 486439480 /nfs/dbraw/zinc/43/94/80/486439480.db2.gz AUQPYZJYYVZBHZ-UHFFFAOYSA-N 1 2 337.427 2.157 20 30 EEEDLO C=C(CC)CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000456815645 534416188 /nfs/dbraw/zinc/41/61/88/534416188.db2.gz YOJYJGJTHAPWFE-INIZCTEOSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C(CC)CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000456815645 534416195 /nfs/dbraw/zinc/41/61/95/534416195.db2.gz YOJYJGJTHAPWFE-INIZCTEOSA-N 1 2 332.448 2.100 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000454757423 534803437 /nfs/dbraw/zinc/80/34/37/534803437.db2.gz KWTVPLPKPKOCKD-OAHLLOKOSA-N 1 2 344.415 2.411 20 30 EEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000191125647 526301191 /nfs/dbraw/zinc/30/11/91/526301191.db2.gz VEWFHCYYQPIBIE-UHFFFAOYSA-N 1 2 334.445 2.066 20 30 EEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000191125647 526301195 /nfs/dbraw/zinc/30/11/95/526301195.db2.gz VEWFHCYYQPIBIE-UHFFFAOYSA-N 1 2 334.445 2.066 20 30 EEEDLO C=CCNC(=O)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000111903347 526524001 /nfs/dbraw/zinc/52/40/01/526524001.db2.gz STFKFJUNJIAKLH-UHFFFAOYSA-N 1 2 344.440 2.016 20 30 EEEDLO C=CCNC(=O)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000111903347 526524006 /nfs/dbraw/zinc/52/40/06/526524006.db2.gz STFKFJUNJIAKLH-UHFFFAOYSA-N 1 2 344.440 2.016 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[S@@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000083953714 526530223 /nfs/dbraw/zinc/53/02/23/526530223.db2.gz ZMEOJDLNZPWPQM-HSZRJFAPSA-N 1 2 333.457 2.316 20 30 EEEDLO CC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000191771348 526561186 /nfs/dbraw/zinc/56/11/86/526561186.db2.gz NWGSOHIIQYDZAQ-UHFFFAOYSA-N 1 2 336.233 2.375 20 30 EEEDLO CC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000191771348 526561190 /nfs/dbraw/zinc/56/11/90/526561190.db2.gz NWGSOHIIQYDZAQ-UHFFFAOYSA-N 1 2 336.233 2.375 20 30 EEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000413810917 527214812 /nfs/dbraw/zinc/21/48/12/527214812.db2.gz ANROCSMWNWYHQN-GOSISDBHSA-N 1 2 331.460 2.147 20 30 EEEDLO CCC[N@H+](CC(=O)N(CC)CCC#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000101549109 527885446 /nfs/dbraw/zinc/88/54/46/527885446.db2.gz GOULPXBQTNJIFV-INIZCTEOSA-N 1 2 344.459 2.488 20 30 EEEDLO CCC[N@@H+](CC(=O)N(CC)CCC#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000101549109 527885451 /nfs/dbraw/zinc/88/54/51/527885451.db2.gz GOULPXBQTNJIFV-INIZCTEOSA-N 1 2 344.459 2.488 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000451762940 536883246 /nfs/dbraw/zinc/88/32/46/536883246.db2.gz XUUGLIZTGUHGDH-HSZRJFAPSA-N 1 2 336.457 2.179 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000451762940 536883253 /nfs/dbraw/zinc/88/32/53/536883253.db2.gz XUUGLIZTGUHGDH-HSZRJFAPSA-N 1 2 336.457 2.179 20 30 EEEDLO N#CCCN(Cc1ccccn1)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000728870690 576554632 /nfs/dbraw/zinc/55/46/32/576554632.db2.gz YJEQSKGSPWMDCP-UHFFFAOYSA-N 1 2 332.367 2.218 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000730097616 576714254 /nfs/dbraw/zinc/71/42/54/576714254.db2.gz CGZYTQBTBUDSGF-SFHVURJKSA-N 1 2 339.439 2.395 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000730097616 576714257 /nfs/dbraw/zinc/71/42/57/576714257.db2.gz CGZYTQBTBUDSGF-SFHVURJKSA-N 1 2 339.439 2.395 20 30 EEEDLO O=C1Nc2ccc([N+](=O)[O-])cc2C1=NNc1cc[nH+]c2ccccc12 ZINC000730147833 576720646 /nfs/dbraw/zinc/72/06/46/576720646.db2.gz UNYYZULPRCTEEF-UHFFFAOYSA-N 1 2 333.307 2.333 20 30 EEEDLO Cc1oc(NC(=O)COC(=O)c2ccc3[nH+]ccn3c2)c(C#N)c1C ZINC000732349537 577173629 /nfs/dbraw/zinc/17/36/29/577173629.db2.gz ULEVZSDWXHMXLB-UHFFFAOYSA-N 1 2 338.323 2.211 20 30 EEEDLO C[N@H+](CC(F)F)C1CCN(C(=O)Cc2ccccc2CC#N)CC1 ZINC000777407764 577478303 /nfs/dbraw/zinc/47/83/03/577478303.db2.gz QQNQAPINGCNGKF-UHFFFAOYSA-N 1 2 335.398 2.483 20 30 EEEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)Cc2ccccc2CC#N)CC1 ZINC000777407764 577478304 /nfs/dbraw/zinc/47/83/04/577478304.db2.gz QQNQAPINGCNGKF-UHFFFAOYSA-N 1 2 335.398 2.483 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@](CC)(c2ccc(Cl)cc2)C1=O ZINC000766666610 577522999 /nfs/dbraw/zinc/52/29/99/577522999.db2.gz XZWDMPABTMGPCV-SJCJKPOMSA-N 1 2 333.819 2.408 20 30 EEEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@](CC)(c2ccc(Cl)cc2)C1=O ZINC000766666610 577523000 /nfs/dbraw/zinc/52/30/00/577523000.db2.gz XZWDMPABTMGPCV-SJCJKPOMSA-N 1 2 333.819 2.408 20 30 EEEDLO CCN(C)c1ccc(C(C)=[NH+]Nc2nc3c(cnn3C)c(=O)[nH]2)cc1 ZINC000769808969 577584983 /nfs/dbraw/zinc/58/49/83/577584983.db2.gz QJRXJKIPAZBOCZ-UHFFFAOYSA-N 1 2 339.403 2.361 20 30 EEEDLO CC(=NNc1nc2c(cnn2C)c(=O)[nH]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000769819698 577585332 /nfs/dbraw/zinc/58/53/32/577585332.db2.gz PGLUNMNMDOELSU-UHFFFAOYSA-N 1 2 348.370 2.091 20 30 EEEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1c(C)cccc1F ZINC000769840921 577585727 /nfs/dbraw/zinc/58/57/27/577585727.db2.gz PHWHRTWSQAFUFA-UHFFFAOYSA-N 1 2 331.395 2.459 20 30 EEEDLO CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1cccc2[nH+]ccn21 ZINC000771096104 577609744 /nfs/dbraw/zinc/60/97/44/577609744.db2.gz BVSVERHGFOCWCL-UHFFFAOYSA-N 1 2 342.428 2.188 20 30 EEEDLO S=C(NCCc1cccs1)NN=Cc1cccc2[nH+]ccn21 ZINC000771099130 577609790 /nfs/dbraw/zinc/60/97/90/577609790.db2.gz WSVQNAUWWZMVDU-UHFFFAOYSA-N 1 2 329.454 2.437 20 30 EEEDLO CC(=[NH+]NC(=S)NCCc1ccccn1)c1ccc(N)cc1C ZINC000758119982 577616245 /nfs/dbraw/zinc/61/62/45/577616245.db2.gz HRFQTQDEKQZLRZ-UHFFFAOYSA-N 1 2 327.457 2.403 20 30 EEEDLO COCC#CC[NH+]1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000762917777 577711309 /nfs/dbraw/zinc/71/13/09/577711309.db2.gz NMAVSZSJLAZLQT-UHFFFAOYSA-N 1 2 342.361 2.353 20 30 EEEDLO C#C[C@@H](CC)NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000753244201 577783806 /nfs/dbraw/zinc/78/38/06/577783806.db2.gz YGSONSJVHAUHSW-HNNXBMFYSA-N 1 2 329.448 2.152 20 30 EEEDLO CC(C)(O)CCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000754280947 577803817 /nfs/dbraw/zinc/80/38/17/577803817.db2.gz PMSBXAVXLQCNJR-UHFFFAOYSA-N 1 2 329.400 2.459 20 30 EEEDLO CNc1[nH+]c(C)ccc1C(=O)OCc1cccc(C(=O)OC)c1C#N ZINC000756174205 577839755 /nfs/dbraw/zinc/83/97/55/577839755.db2.gz GJPQELXZBWNIGZ-UHFFFAOYSA-N 1 2 339.351 2.447 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000756461648 577844531 /nfs/dbraw/zinc/84/45/31/577844531.db2.gz PKBZDZMZIAYMSA-LBPRGKRZSA-N 1 2 343.362 2.483 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000742354534 577871574 /nfs/dbraw/zinc/87/15/74/577871574.db2.gz IZTRZTZGSWEVDL-UHFFFAOYSA-N 1 2 349.350 2.454 20 30 EEEDLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N ZINC000745081418 577908004 /nfs/dbraw/zinc/90/80/04/577908004.db2.gz YLQQGWNCFHIWHB-AWEZNQCLSA-N 1 2 335.791 2.178 20 30 EEEDLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N ZINC000745081418 577908005 /nfs/dbraw/zinc/90/80/05/577908005.db2.gz YLQQGWNCFHIWHB-AWEZNQCLSA-N 1 2 335.791 2.178 20 30 EEEDLO Cc1cc(C(N)=[NH+]OCc2ccc(F)cc2-c2nn[nH]n2)ccc1F ZINC000737246993 578245793 /nfs/dbraw/zinc/24/57/93/578245793.db2.gz WTWFEAJKALKSCM-UHFFFAOYSA-N 1 2 344.325 2.290 20 30 EEEDLO C[C@H](NC(=O)c1ccn[nH]1)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000969332138 674849560 /nfs/dbraw/zinc/84/95/60/674849560.db2.gz IWNPHWSYYHZYKK-ZDUSSCGKSA-N 1 2 342.830 2.165 20 30 EEEDLO Cc1nc(C[NH+]2CC([C@@H](C)NC(=O)c3c[nH]c(C#N)c3)C2)c(C)s1 ZINC000969526751 675089215 /nfs/dbraw/zinc/08/92/15/675089215.db2.gz OVMXYIAYKNEEFN-SNVBAGLBSA-N 1 2 343.456 2.210 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC000969824171 675232462 /nfs/dbraw/zinc/23/24/62/675232462.db2.gz CHELSXDBUBZXHB-GFCCVEGCSA-N 1 2 347.850 2.218 20 30 EEEDLO C[C@@H](NC(=O)c1ccsn1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969932101 675319877 /nfs/dbraw/zinc/31/98/77/675319877.db2.gz ONTVJPPYTYPCPV-LLVKDONJSA-N 1 2 344.415 2.404 20 30 EEEDLO C[C@@H](NC(=O)c1[nH]nc2c1CCC2)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000970034616 675403045 /nfs/dbraw/zinc/40/30/45/675403045.db2.gz IDTSLJJAHYOLJG-CYBMUJFWSA-N 1 2 349.438 2.020 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc(-n3cncn3)c2)C1 ZINC000970400687 675854858 /nfs/dbraw/zinc/85/48/58/675854858.db2.gz DIENTQBATKCEDP-ZDUSSCGKSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000970934160 676252497 /nfs/dbraw/zinc/25/24/97/676252497.db2.gz KUXNZGWHYZFMMD-JTQLQIEISA-N 1 2 335.791 2.336 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc4ccsc4[nH]3)CC2)C1 ZINC000949430478 676262088 /nfs/dbraw/zinc/26/20/88/676262088.db2.gz VKTZWGICNGWYSV-UHFFFAOYSA-N 1 2 343.452 2.170 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc4ccsc4[nH]3)CC2)C1 ZINC000949430478 676262090 /nfs/dbraw/zinc/26/20/90/676262090.db2.gz VKTZWGICNGWYSV-UHFFFAOYSA-N 1 2 343.452 2.170 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C3(C(F)F)CCCC3)CC2)C1 ZINC000949446973 676317184 /nfs/dbraw/zinc/31/71/84/676317184.db2.gz IBXPAWALYKIWKS-UHFFFAOYSA-N 1 2 340.414 2.139 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C3(C(F)F)CCCC3)CC2)C1 ZINC000949446973 676317186 /nfs/dbraw/zinc/31/71/86/676317186.db2.gz IBXPAWALYKIWKS-UHFFFAOYSA-N 1 2 340.414 2.139 20 30 EEEDLO Cc1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cc(F)ccc3C#N)C2)no1 ZINC000971030375 676328166 /nfs/dbraw/zinc/32/81/66/676328166.db2.gz UHIGFRJSQUXUKJ-MRXNPFEDSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(F)ccc3C#N)C2)no1 ZINC000971030375 676328167 /nfs/dbraw/zinc/32/81/67/676328167.db2.gz UHIGFRJSQUXUKJ-MRXNPFEDSA-N 1 2 342.374 2.340 20 30 EEEDLO C=C(C)[C@@H](CC(=O)Nc1ccc(C(N)=O)cc1-n1cc[nH+]c1)OCC ZINC000891302190 676333488 /nfs/dbraw/zinc/33/34/88/676333488.db2.gz MYEGYYJTTQFQEI-MRXNPFEDSA-N 1 2 342.399 2.281 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)c2ccon2)C1 ZINC000971142577 676409471 /nfs/dbraw/zinc/40/94/71/676409471.db2.gz NESNZZZFLBPQDK-HNNXBMFYSA-N 1 2 328.347 2.032 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)c2ccon2)C1 ZINC000971142577 676409473 /nfs/dbraw/zinc/40/94/73/676409473.db2.gz NESNZZZFLBPQDK-HNNXBMFYSA-N 1 2 328.347 2.032 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC000971248876 676454150 /nfs/dbraw/zinc/45/41/50/676454150.db2.gz GZMCKBCPEZVPAJ-KSSFIOAISA-N 1 2 345.418 2.157 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC000971248876 676454152 /nfs/dbraw/zinc/45/41/52/676454152.db2.gz GZMCKBCPEZVPAJ-KSSFIOAISA-N 1 2 345.418 2.157 20 30 EEEDLO Cc1ncoc1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971284025 676470764 /nfs/dbraw/zinc/47/07/64/676470764.db2.gz FOZJUAFOEAHQAW-MRXNPFEDSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1ncoc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971284025 676470766 /nfs/dbraw/zinc/47/07/66/676470766.db2.gz FOZJUAFOEAHQAW-MRXNPFEDSA-N 1 2 342.374 2.340 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccncn1 ZINC001039383022 676540007 /nfs/dbraw/zinc/54/00/07/676540007.db2.gz SKTIVAATFCKRLP-CVEARBPZSA-N 1 2 334.851 2.227 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccncn1 ZINC001039383022 676540008 /nfs/dbraw/zinc/54/00/08/676540008.db2.gz SKTIVAATFCKRLP-CVEARBPZSA-N 1 2 334.851 2.227 20 30 EEEDLO Cc1cc(CN(CCC#N)CC[NH+]2CCOCC2)c2c(n1)CCCC2 ZINC000891393821 676554355 /nfs/dbraw/zinc/55/43/55/676554355.db2.gz JBPAFBNHKYIVHF-UHFFFAOYSA-N 1 2 342.487 2.317 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(C)cc3C)CC2)C1 ZINC000949519971 676571264 /nfs/dbraw/zinc/57/12/64/676571264.db2.gz DLFRBXGRMBYWEH-UHFFFAOYSA-N 1 2 326.440 2.244 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(C)cc3C)CC2)C1 ZINC000949519971 676571267 /nfs/dbraw/zinc/57/12/67/676571267.db2.gz DLFRBXGRMBYWEH-UHFFFAOYSA-N 1 2 326.440 2.244 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)nc2ccccc12 ZINC000971507293 676604241 /nfs/dbraw/zinc/60/42/41/676604241.db2.gz GOGVVVJHSQQEJV-QGZVFWFLSA-N 1 2 348.450 2.384 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)nc2ccccc12 ZINC000971507293 676604242 /nfs/dbraw/zinc/60/42/42/676604242.db2.gz GOGVVVJHSQQEJV-QGZVFWFLSA-N 1 2 348.450 2.384 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)s2)C1 ZINC000971559282 676624414 /nfs/dbraw/zinc/62/44/14/676624414.db2.gz UOWLSYKGPRRGCR-XHSDSOJGSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)s2)C1 ZINC000971559282 676624416 /nfs/dbraw/zinc/62/44/16/676624416.db2.gz UOWLSYKGPRRGCR-XHSDSOJGSA-N 1 2 349.500 2.465 20 30 EEEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971576376 676630598 /nfs/dbraw/zinc/63/05/98/676630598.db2.gz QUOLGDQTLJTYSR-ZIAGYGMSSA-N 1 2 343.324 2.491 20 30 EEEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971576376 676630600 /nfs/dbraw/zinc/63/06/00/676630600.db2.gz QUOLGDQTLJTYSR-ZIAGYGMSSA-N 1 2 343.324 2.491 20 30 EEEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000971576376 676630602 /nfs/dbraw/zinc/63/06/02/676630602.db2.gz QUOLGDQTLJTYSR-ZIAGYGMSSA-N 1 2 343.324 2.491 20 30 EEEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000971576376 676630603 /nfs/dbraw/zinc/63/06/03/676630603.db2.gz QUOLGDQTLJTYSR-ZIAGYGMSSA-N 1 2 343.324 2.491 20 30 EEEDLO C=CCCCN(CC)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000892258629 678350367 /nfs/dbraw/zinc/35/03/67/678350367.db2.gz CIPMSHMGIFNYLH-KRWDZBQOSA-N 1 2 341.521 2.192 20 30 EEEDLO CCCC(=O)N1CC[C@]2(C1)C[N@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC000972218777 678409175 /nfs/dbraw/zinc/40/91/75/678409175.db2.gz BKPBPADCLROAGU-LJQANCHMSA-N 1 2 345.418 2.301 20 30 EEEDLO CCCC(=O)N1CC[C@]2(C1)C[N@@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC000972218777 678409177 /nfs/dbraw/zinc/40/91/77/678409177.db2.gz BKPBPADCLROAGU-LJQANCHMSA-N 1 2 345.418 2.301 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@H]([N@H+](C)Cc3ncc(C)s3)C2)c1 ZINC000972284962 678495287 /nfs/dbraw/zinc/49/52/87/678495287.db2.gz NTBFLFYIQPQDJN-INIZCTEOSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncc(C)s3)C2)c1 ZINC000972284962 678495288 /nfs/dbraw/zinc/49/52/88/678495288.db2.gz NTBFLFYIQPQDJN-INIZCTEOSA-N 1 2 340.452 2.174 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nc(C(C)C)oc3C)C2)C1 ZINC000972380313 678630317 /nfs/dbraw/zinc/63/03/17/678630317.db2.gz FXYRPKZMGCILGC-GOSISDBHSA-N 1 2 333.432 2.209 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3nc(C(C)C)oc3C)C2)C1 ZINC000972380313 678630320 /nfs/dbraw/zinc/63/03/20/678630320.db2.gz FXYRPKZMGCILGC-GOSISDBHSA-N 1 2 333.432 2.209 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3coc(C(C)(C)C)n3)C2)C1 ZINC000972379897 678630579 /nfs/dbraw/zinc/63/05/79/678630579.db2.gz BZQDHDVWKLGJMZ-GOSISDBHSA-N 1 2 333.432 2.075 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3coc(C(C)(C)C)n3)C2)C1 ZINC000972379897 678630580 /nfs/dbraw/zinc/63/05/80/678630580.db2.gz BZQDHDVWKLGJMZ-GOSISDBHSA-N 1 2 333.432 2.075 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)c(F)cc3F)C2)C1 ZINC000972426971 678723722 /nfs/dbraw/zinc/72/37/22/678723722.db2.gz YBHKRYWQIWDCLM-GOSISDBHSA-N 1 2 336.382 2.376 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)c(F)cc3F)C2)C1 ZINC000972426971 678723724 /nfs/dbraw/zinc/72/37/24/678723724.db2.gz YBHKRYWQIWDCLM-GOSISDBHSA-N 1 2 336.382 2.376 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2C)C[C@@H]1C ZINC000947290076 678919879 /nfs/dbraw/zinc/91/98/79/678919879.db2.gz CGGGGFFRVBPRAB-RYUDHWBXSA-N 1 2 341.253 2.209 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2C)C[C@@H]1C ZINC000947290076 678919881 /nfs/dbraw/zinc/91/98/81/678919881.db2.gz CGGGGFFRVBPRAB-RYUDHWBXSA-N 1 2 341.253 2.209 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCC3(F)F)C2)C1 ZINC000972519754 679145481 /nfs/dbraw/zinc/14/54/81/679145481.db2.gz YQGMNAATUNFPOY-RDJZCZTQSA-N 1 2 340.414 2.139 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCC3(F)F)C2)C1 ZINC000972519754 679145483 /nfs/dbraw/zinc/14/54/83/679145483.db2.gz YQGMNAATUNFPOY-RDJZCZTQSA-N 1 2 340.414 2.139 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CC[C@H](C)C3(C)C)C2)C1 ZINC000972582207 679351540 /nfs/dbraw/zinc/35/15/40/679351540.db2.gz IDQUETAXFUNFDS-FFZOFVMBSA-N 1 2 332.488 2.385 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CC[C@H](C)C3(C)C)C2)C1 ZINC000972582207 679351541 /nfs/dbraw/zinc/35/15/41/679351541.db2.gz IDQUETAXFUNFDS-FFZOFVMBSA-N 1 2 332.488 2.385 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)C2)C1 ZINC000972616404 679426571 /nfs/dbraw/zinc/42/65/71/679426571.db2.gz YJXRFOQENXCLKS-QWFCFKBJSA-N 1 2 332.488 2.385 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)C2)C1 ZINC000972616404 679426573 /nfs/dbraw/zinc/42/65/73/679426573.db2.gz YJXRFOQENXCLKS-QWFCFKBJSA-N 1 2 332.488 2.385 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@]2(C)CCOC2)C1 ZINC000972625999 679449631 /nfs/dbraw/zinc/44/96/31/679449631.db2.gz PSGNVFQVXVAYNY-IEBWSBKVSA-N 1 2 345.418 2.157 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@]2(C)CCOC2)C1 ZINC000972625999 679449632 /nfs/dbraw/zinc/44/96/32/679449632.db2.gz PSGNVFQVXVAYNY-IEBWSBKVSA-N 1 2 345.418 2.157 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ncoc3C(C)(C)C)C2)C1 ZINC000972632862 679467166 /nfs/dbraw/zinc/46/71/66/679467166.db2.gz WOJLQTLJOXOHDY-SFHVURJKSA-N 1 2 333.432 2.075 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ncoc3C(C)(C)C)C2)C1 ZINC000972632862 679467167 /nfs/dbraw/zinc/46/71/67/679467167.db2.gz WOJLQTLJOXOHDY-SFHVURJKSA-N 1 2 333.432 2.075 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@](C)(OC)c3ccccc3)C2)C1 ZINC000972640574 679480580 /nfs/dbraw/zinc/48/05/80/679480580.db2.gz KYTMYDOWUIMLSG-WOJBJXKFSA-N 1 2 344.455 2.038 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@](C)(OC)c3ccccc3)C2)C1 ZINC000972640574 679480581 /nfs/dbraw/zinc/48/05/81/679480581.db2.gz KYTMYDOWUIMLSG-WOJBJXKFSA-N 1 2 344.455 2.038 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CC(c4ccccc4)C3)C2)C1 ZINC000972695267 679619740 /nfs/dbraw/zinc/61/97/40/679619740.db2.gz IJCQTXJKNAKFRL-GRERDSQWSA-N 1 2 338.451 2.117 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CC(c4ccccc4)C3)C2)C1 ZINC000972695267 679619745 /nfs/dbraw/zinc/61/97/45/679619745.db2.gz IJCQTXJKNAKFRL-GRERDSQWSA-N 1 2 338.451 2.117 20 30 EEEDLO Cn1nccc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024360514 679879159 /nfs/dbraw/zinc/87/91/59/679879159.db2.gz TZRLGUISDOTNTE-QGZVFWFLSA-N 1 2 337.427 2.076 20 30 EEEDLO Cn1nccc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024360514 679879160 /nfs/dbraw/zinc/87/91/60/679879160.db2.gz TZRLGUISDOTNTE-QGZVFWFLSA-N 1 2 337.427 2.076 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)c(C)o1 ZINC001024379854 679888376 /nfs/dbraw/zinc/88/83/76/679888376.db2.gz CAYUYTLOVXCFSH-OAHLLOKOSA-N 1 2 341.415 2.276 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)c(C)o1 ZINC001024379854 679888377 /nfs/dbraw/zinc/88/83/77/679888377.db2.gz CAYUYTLOVXCFSH-OAHLLOKOSA-N 1 2 341.415 2.276 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)c(C)o1 ZINC001024399354 679889869 /nfs/dbraw/zinc/88/98/69/679889869.db2.gz IHHYLFVMNFBYEG-MRXNPFEDSA-N 1 2 341.415 2.276 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)c(C)o1 ZINC001024399354 679889870 /nfs/dbraw/zinc/88/98/70/679889870.db2.gz IHHYLFVMNFBYEG-MRXNPFEDSA-N 1 2 341.415 2.276 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3cscn3)C2)s1 ZINC001006894286 679923425 /nfs/dbraw/zinc/92/34/25/679923425.db2.gz ASKZZYHGYHPOBB-NSHDSACASA-N 1 2 332.454 2.471 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3cscn3)C2)s1 ZINC001006894286 679923421 /nfs/dbraw/zinc/92/34/21/679923421.db2.gz ASKZZYHGYHPOBB-NSHDSACASA-N 1 2 332.454 2.471 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c([nH]1)CCOC2 ZINC001024475603 679956232 /nfs/dbraw/zinc/95/62/32/679956232.db2.gz SNKZCSMICLYEBT-AWEZNQCLSA-N 1 2 337.851 2.424 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc2c([nH]1)CCOC2 ZINC001024475603 679956234 /nfs/dbraw/zinc/95/62/34/679956234.db2.gz SNKZCSMICLYEBT-AWEZNQCLSA-N 1 2 337.851 2.424 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2cscn2)C1 ZINC001006897692 679958594 /nfs/dbraw/zinc/95/85/94/679958594.db2.gz NEEHXJMHRHJMEB-OAHLLOKOSA-N 1 2 326.425 2.409 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2cscn2)C1 ZINC001006897692 679958596 /nfs/dbraw/zinc/95/85/96/679958596.db2.gz NEEHXJMHRHJMEB-OAHLLOKOSA-N 1 2 326.425 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2cncc2C1 ZINC001024514498 680015542 /nfs/dbraw/zinc/01/55/42/680015542.db2.gz ZRIRLQPVWJCHGQ-LSDHHAIUSA-N 1 2 336.867 2.169 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2cncc2C1 ZINC001024514498 680015548 /nfs/dbraw/zinc/01/55/48/680015548.db2.gz ZRIRLQPVWJCHGQ-LSDHHAIUSA-N 1 2 336.867 2.169 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc3nc[nH]c3n2)C(C)(C)C1 ZINC000974729327 685347067 /nfs/dbraw/zinc/34/70/67/685347067.db2.gz LMORANAKLMQJJY-ZDUSSCGKSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc3nc[nH]c3n2)C(C)(C)C1 ZINC000974729327 685347077 /nfs/dbraw/zinc/34/70/77/685347077.db2.gz LMORANAKLMQJJY-ZDUSSCGKSA-N 1 2 333.823 2.151 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc3c(c2)CCCO3)n1 ZINC000894109557 681296681 /nfs/dbraw/zinc/29/66/81/681296681.db2.gz QUOYCMPDFAUWFU-UHFFFAOYSA-N 1 2 339.439 2.490 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc3c(c2)CCCO3)n1 ZINC000894109557 681296685 /nfs/dbraw/zinc/29/66/85/681296685.db2.gz QUOYCMPDFAUWFU-UHFFFAOYSA-N 1 2 339.439 2.490 20 30 EEEDLO CCCCc1noc(C[NH2+]C[C@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC001024960056 681642326 /nfs/dbraw/zinc/64/23/26/681642326.db2.gz NEWACWSDKCKLDG-MRXNPFEDSA-N 1 2 344.459 2.296 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)[nH]n1 ZINC001029228711 683615820 /nfs/dbraw/zinc/61/58/20/683615820.db2.gz ANVGUJGHQAXHBI-HDICACEKSA-N 1 2 334.423 2.059 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)[nH]n1 ZINC001029228711 683615822 /nfs/dbraw/zinc/61/58/22/683615822.db2.gz ANVGUJGHQAXHBI-HDICACEKSA-N 1 2 334.423 2.059 20 30 EEEDLO C[C@@H]1C[C@H]1CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001026007896 683747506 /nfs/dbraw/zinc/74/75/06/683747506.db2.gz KZKZCZTULKDKPI-MGJCUIIYSA-N 1 2 327.403 2.290 20 30 EEEDLO C[C@@H]1C[C@H]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001026007896 683747510 /nfs/dbraw/zinc/74/75/10/683747510.db2.gz KZKZCZTULKDKPI-MGJCUIIYSA-N 1 2 327.403 2.290 20 30 EEEDLO CC#CC[C@@H](CO)[NH2+]Cc1nc(N(C)C)n(-c2ccccc2)c1Cl ZINC000895098533 683884270 /nfs/dbraw/zinc/88/42/70/683884270.db2.gz KWPNBUCODMACNO-AWEZNQCLSA-N 1 2 346.862 2.456 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cnns2)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000993079451 683896482 /nfs/dbraw/zinc/89/64/82/683896482.db2.gz ARVSARVSQCYQKL-IUODEOHRSA-N 1 2 341.440 2.193 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cnns2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000993079451 683896484 /nfs/dbraw/zinc/89/64/84/683896484.db2.gz ARVSARVSQCYQKL-IUODEOHRSA-N 1 2 341.440 2.193 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nnc(C)s4)C[C@H]32)CC1 ZINC000978698647 693811194 /nfs/dbraw/zinc/81/11/94/693811194.db2.gz KSAOXOLBUCICKC-PHZGNYQRSA-N 1 2 346.500 2.387 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nnc(C)s4)C[C@H]32)CC1 ZINC000978698647 693811201 /nfs/dbraw/zinc/81/12/01/693811201.db2.gz KSAOXOLBUCICKC-PHZGNYQRSA-N 1 2 346.500 2.387 20 30 EEEDLO COc1cccc(O)c1/C=N\C[C@]1([NH+]2CCOCC2)CCSC1 ZINC000915113492 684055715 /nfs/dbraw/zinc/05/57/15/684055715.db2.gz WWUNVGNPIWBWCI-LVSMMTLPSA-N 1 2 336.457 2.028 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)Cc3coc(C)n3)C2)nc1 ZINC001027656526 693814657 /nfs/dbraw/zinc/81/46/57/693814657.db2.gz SCTLVOUVJDPZRM-KRWDZBQOSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3coc(C)n3)C2)nc1 ZINC001027656526 693814662 /nfs/dbraw/zinc/81/46/62/693814662.db2.gz SCTLVOUVJDPZRM-KRWDZBQOSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[C@@H](CN(C)c3cc[nH+]c(C)n3)C2)c1 ZINC001058703951 684314940 /nfs/dbraw/zinc/31/49/40/684314940.db2.gz CSPMIXGALPLETB-KRWDZBQOSA-N 1 2 349.438 2.150 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)c(C)[nH+]1 ZINC000984583591 684812187 /nfs/dbraw/zinc/81/21/87/684812187.db2.gz DWXPKMIASQLCAC-CJNGLKHVSA-N 1 2 342.443 2.230 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2c(C3CC3)cnn2C)C(C)(C)C1 ZINC000974655632 685164617 /nfs/dbraw/zinc/16/46/17/685164617.db2.gz WUOYATAQMKASNO-CQSZACIVSA-N 1 2 336.867 2.490 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2c(C3CC3)cnn2C)C(C)(C)C1 ZINC000974655632 685164623 /nfs/dbraw/zinc/16/46/23/685164623.db2.gz WUOYATAQMKASNO-CQSZACIVSA-N 1 2 336.867 2.490 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)C1 ZINC001027686981 693964588 /nfs/dbraw/zinc/96/45/88/693964588.db2.gz HHCZWUIZGZSYHG-CQSZACIVSA-N 1 2 340.265 2.389 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)C1 ZINC001027686981 693964593 /nfs/dbraw/zinc/96/45/93/693964593.db2.gz HHCZWUIZGZSYHG-CQSZACIVSA-N 1 2 340.265 2.389 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059561303 687108698 /nfs/dbraw/zinc/10/86/98/687108698.db2.gz VZVVPQWFQBEAIT-OAHLLOKOSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC([N@@H+](C)Cc2ncnn2CC)CC1 ZINC000985567801 687165107 /nfs/dbraw/zinc/16/51/07/687165107.db2.gz AMSCSVXMBSSBTB-UHFFFAOYSA-N 1 2 333.480 2.323 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC([N@H+](C)Cc2ncnn2CC)CC1 ZINC000985567801 687165109 /nfs/dbraw/zinc/16/51/09/687165109.db2.gz AMSCSVXMBSSBTB-UHFFFAOYSA-N 1 2 333.480 2.323 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C1 ZINC000975984474 687240886 /nfs/dbraw/zinc/24/08/86/687240886.db2.gz WOFIIRJMVUGCAR-YZVOILCLSA-N 1 2 344.459 2.004 20 30 EEEDLO C[N@H+](Cc1cscn1)[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001027367250 687745618 /nfs/dbraw/zinc/74/56/18/687745618.db2.gz WTLPCGSYWNJYGD-CQSZACIVSA-N 1 2 329.429 2.079 20 30 EEEDLO C[N@@H+](Cc1cscn1)[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001027367250 687745623 /nfs/dbraw/zinc/74/56/23/687745623.db2.gz WTLPCGSYWNJYGD-CQSZACIVSA-N 1 2 329.429 2.079 20 30 EEEDLO 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1186276939 /nfs/dbraw/zinc/27/69/39/1186276939.db2.gz YWGJHCMXKIBZLY-ZWKOTPCHSA-N 1 2 349.438 2.121 20 30 EEEDLO CCn1ccnc1C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C#N)c3)[C@@H]2C1 ZINC001271498091 1186276945 /nfs/dbraw/zinc/27/69/45/1186276945.db2.gz YWGJHCMXKIBZLY-ZWKOTPCHSA-N 1 2 349.438 2.121 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)on1 ZINC001088464257 1186957893 /nfs/dbraw/zinc/95/78/93/1186957893.db2.gz NNUIALCHVBDJKS-WBMJQRKESA-N 1 2 342.374 2.387 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)on1 ZINC001088464257 1186957897 /nfs/dbraw/zinc/95/78/97/1186957897.db2.gz NNUIALCHVBDJKS-WBMJQRKESA-N 1 2 342.374 2.387 20 30 EEEDLO Cc1cc(C[N@@H+]2CCO[C@](C)(CNC(=O)C#CC3CC3)C2)cs1 ZINC001107932200 1193478930 /nfs/dbraw/zinc/47/89/30/1193478930.db2.gz HUZZQRKRARUTII-GOSISDBHSA-N 1 2 332.469 2.177 20 30 EEEDLO Cc1cc(C[N@H+]2CCO[C@](C)(CNC(=O)C#CC3CC3)C2)cs1 ZINC001107932200 1193478932 /nfs/dbraw/zinc/47/89/32/1193478932.db2.gz 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C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001033580572 1194906138 /nfs/dbraw/zinc/90/61/38/1194906138.db2.gz UVEAVHDIFXONTC-OAHLLOKOSA-N 1 2 345.834 2.166 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3nc(C)cs3)C2)nc1 ZINC001033593514 1194922285 /nfs/dbraw/zinc/92/22/85/1194922285.db2.gz MVJMFANAIFKGCR-HNNXBMFYSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3nc(C)cs3)C2)nc1 ZINC001033593514 1194922287 /nfs/dbraw/zinc/92/22/87/1194922287.db2.gz MVJMFANAIFKGCR-HNNXBMFYSA-N 1 2 340.452 2.174 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]2C)C1 ZINC001005266397 1195048600 /nfs/dbraw/zinc/04/86/00/1195048600.db2.gz KBIKKAAAYNYOAB-GDBMZVCRSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]2C)C1 ZINC001005266397 1195048605 /nfs/dbraw/zinc/04/86/05/1195048605.db2.gz KBIKKAAAYNYOAB-GDBMZVCRSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)c2coc(C)n2)CC1 ZINC001005284381 1195085004 /nfs/dbraw/zinc/08/50/04/1195085004.db2.gz APBNECMVHPAZHK-UHFFFAOYSA-N 1 2 342.237 2.428 20 30 EEEDLO CCN(C(=O)c1cc(C)n[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033765741 1195231770 /nfs/dbraw/zinc/23/17/70/1195231770.db2.gz JAXCVJHTVVPXCZ-QGZVFWFLSA-N 1 2 337.427 2.326 20 30 EEEDLO CCN(C(=O)c1cc(C)n[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033765741 1195231773 /nfs/dbraw/zinc/23/17/73/1195231773.db2.gz JAXCVJHTVVPXCZ-QGZVFWFLSA-N 1 2 337.427 2.326 20 30 EEEDLO CCN(C(=O)c1cc(C)[nH]n1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033765741 1195231777 /nfs/dbraw/zinc/23/17/77/1195231777.db2.gz JAXCVJHTVVPXCZ-QGZVFWFLSA-N 1 2 337.427 2.326 20 30 EEEDLO CCN(C(=O)c1cc(C)[nH]n1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033765741 1195231779 /nfs/dbraw/zinc/23/17/79/1195231779.db2.gz JAXCVJHTVVPXCZ-QGZVFWFLSA-N 1 2 337.427 2.326 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cnc(Cl)n2C)C1 ZINC001033901961 1195453549 /nfs/dbraw/zinc/45/35/49/1195453549.db2.gz 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C#Cc1cncc(C(=O)N[C@H]2CCCC[N@@H+](Cc3ncc(C)o3)C2)c1 ZINC001034390415 1196174273 /nfs/dbraw/zinc/17/42/73/1196174273.db2.gz AAAIVZVLSMCEPU-KRWDZBQOSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCCC[N@H+](Cc3ncc(C)o3)C2)c1 ZINC001034390415 1196174274 /nfs/dbraw/zinc/17/42/74/1196174274.db2.gz AAAIVZVLSMCEPU-KRWDZBQOSA-N 1 2 338.411 2.144 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001034404502 1196197156 /nfs/dbraw/zinc/19/71/56/1196197156.db2.gz SQVKDWJQRVQGLH-BNOWGMLFSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001034404502 1196197159 /nfs/dbraw/zinc/19/71/59/1196197159.db2.gz SQVKDWJQRVQGLH-BNOWGMLFSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001034521318 1196348843 /nfs/dbraw/zinc/34/88/43/1196348843.db2.gz FRVRHGJQZIBENQ-ZDUSSCGKSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001034521318 1196348848 /nfs/dbraw/zinc/34/88/48/1196348848.db2.gz FRVRHGJQZIBENQ-ZDUSSCGKSA-N 1 2 333.823 2.295 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1-c1ccsc1 ZINC001018112460 1224351449 /nfs/dbraw/zinc/35/14/49/1224351449.db2.gz KUEWHBXLFCSVIO-GASCZTMLSA-N 1 2 340.452 2.450 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1-c1ccsc1 ZINC001018112460 1224351457 /nfs/dbraw/zinc/35/14/57/1224351457.db2.gz KUEWHBXLFCSVIO-GASCZTMLSA-N 1 2 340.452 2.450 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](c2ccncc2)C(C)C)C1 ZINC001108160874 1196739908 /nfs/dbraw/zinc/73/99/08/1196739908.db2.gz WAGISKREDBPHEM-ICSRJNTNSA-N 1 2 343.471 2.052 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](c2ccncc2)C(C)C)C1 ZINC001108160874 1196739909 /nfs/dbraw/zinc/73/99/09/1196739909.db2.gz WAGISKREDBPHEM-ICSRJNTNSA-N 1 2 343.471 2.052 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2sc(C)nc21 ZINC001018168300 1224419773 /nfs/dbraw/zinc/41/97/73/1224419773.db2.gz 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CC[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000794799687 1197995910 /nfs/dbraw/zinc/99/59/10/1197995910.db2.gz NZFLBYVQMBQFJT-MSOLQXFVSA-N 1 2 327.428 2.018 20 30 EEEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000874705222 1198954316 /nfs/dbraw/zinc/95/43/16/1198954316.db2.gz AVVJHAHXAMQTEA-KRWDZBQOSA-N 1 2 329.444 2.328 20 30 EEEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000874705222 1198954323 /nfs/dbraw/zinc/95/43/23/1198954323.db2.gz AVVJHAHXAMQTEA-KRWDZBQOSA-N 1 2 329.444 2.328 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cnnn2C)C1 ZINC001132057016 1199243993 /nfs/dbraw/zinc/24/39/93/1199243993.db2.gz IUQWPIKPCINILL-ZBFHGGJFSA-N 1 2 331.464 2.053 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cnnn2C)C1 ZINC001132057016 1199243998 /nfs/dbraw/zinc/24/39/98/1199243998.db2.gz IUQWPIKPCINILL-ZBFHGGJFSA-N 1 2 331.464 2.053 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCc2ccco2)C1 ZINC001132073400 1199265622 /nfs/dbraw/zinc/26/56/22/1199265622.db2.gz VTEPERUQVRYVNT-JKSUJKDBSA-N 1 2 347.459 2.221 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCc2ccco2)C1 ZINC001132073400 1199265625 /nfs/dbraw/zinc/26/56/25/1199265625.db2.gz VTEPERUQVRYVNT-JKSUJKDBSA-N 1 2 347.459 2.221 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC2CCC2)C1 ZINC001132214096 1199437492 /nfs/dbraw/zinc/43/74/92/1199437492.db2.gz BSYQPCOUVKXBNP-NVXWUHKLSA-N 1 2 349.519 2.474 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC2CCC2)C1 ZINC001132214096 1199437497 /nfs/dbraw/zinc/43/74/97/1199437497.db2.gz BSYQPCOUVKXBNP-NVXWUHKLSA-N 1 2 349.519 2.474 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCC2CCC2)C1 ZINC001132214095 1199437529 /nfs/dbraw/zinc/43/75/29/1199437529.db2.gz BSYQPCOUVKXBNP-DOTOQJQBSA-N 1 2 349.519 2.474 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCC2CCC2)C1 ZINC001132214095 1199437534 /nfs/dbraw/zinc/43/75/34/1199437534.db2.gz BSYQPCOUVKXBNP-DOTOQJQBSA-N 1 2 349.519 2.474 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(OC)nn2)C1 ZINC001132218246 1199456427 /nfs/dbraw/zinc/45/64/27/1199456427.db2.gz OBVGQSBZVSGZHA-KGLIPLIRSA-N 1 2 332.448 2.167 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001132218246 1199456431 /nfs/dbraw/zinc/45/64/31/1199456431.db2.gz OBVGQSBZVSGZHA-KGLIPLIRSA-N 1 2 332.448 2.167 20 30 EEEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2nc(CCCC)no2)cc1 ZINC001132226742 1199467596 /nfs/dbraw/zinc/46/75/96/1199467596.db2.gz MZHOODJWPBSTRL-CQSZACIVSA-N 1 2 340.427 2.474 20 30 EEEDLO Cc1ccc([N+](=O)[O-])c(C)c1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000876510510 1199651802 /nfs/dbraw/zinc/65/18/02/1199651802.db2.gz NHENTSNTYQEJLH-UHFFFAOYSA-N 1 2 346.431 2.260 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCNC(=O)CC(C)C)CC[C@@H]1C ZINC001132541848 1199837090 /nfs/dbraw/zinc/83/70/90/1199837090.db2.gz LYBLZGCDVXOMBB-LSDHHAIUSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCNC(=O)CC(C)C)CC[C@@H]1C ZINC001132541848 1199837095 /nfs/dbraw/zinc/83/70/95/1199837095.db2.gz LYBLZGCDVXOMBB-LSDHHAIUSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nc(Cc2ccccc2)no1 ZINC001132575782 1199874116 /nfs/dbraw/zinc/87/41/16/1199874116.db2.gz DDKDJRDMQYCUIE-GJZGRUSLSA-N 1 2 342.443 2.324 20 30 EEEDLO N#Cc1cc(F)ccc1N1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000877747002 1200069995 /nfs/dbraw/zinc/06/99/95/1200069995.db2.gz QZOTVWRXZQMGPB-UHFFFAOYSA-N 1 2 338.386 2.118 20 30 EEEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc(Cl)cc1 ZINC000811892540 1200389053 /nfs/dbraw/zinc/38/90/53/1200389053.db2.gz WCFVHOIXSKRGHB-INIZCTEOSA-N 1 2 349.862 2.424 20 30 EEEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc(Cl)cc1 ZINC000811892540 1200389058 /nfs/dbraw/zinc/38/90/58/1200389058.db2.gz WCFVHOIXSKRGHB-INIZCTEOSA-N 1 2 349.862 2.424 20 30 EEEDLO C#C[C@H](CCC)NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000812039672 1200474238 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330.428 2.164 20 30 EEEDLO C=CCCC1(C(=O)NCC[NH2+]Cc2nnc(C(F)F)s2)CC1 ZINC001133373963 1200810421 /nfs/dbraw/zinc/81/04/21/1200810421.db2.gz LVMGQDRTMOVRMW-UHFFFAOYSA-N 1 2 330.404 2.428 20 30 EEEDLO COc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)ccn1 ZINC001015052454 1224688594 /nfs/dbraw/zinc/68/85/94/1224688594.db2.gz LQSUGBQFRWPURY-CYBMUJFWSA-N 1 2 342.424 2.028 20 30 EEEDLO COc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)ccn1 ZINC001015052454 1224688599 /nfs/dbraw/zinc/68/85/99/1224688599.db2.gz LQSUGBQFRWPURY-CYBMUJFWSA-N 1 2 342.424 2.028 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001015085674 1224726167 /nfs/dbraw/zinc/72/61/67/1224726167.db2.gz YZQQRQWDKWTFHS-CYBMUJFWSA-N 1 2 331.807 2.028 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001015085674 1224726171 /nfs/dbraw/zinc/72/61/71/1224726171.db2.gz YZQQRQWDKWTFHS-CYBMUJFWSA-N 1 2 331.807 2.028 20 30 EEEDLO C=CCC1(O)CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000884479211 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326.440 2.293 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC000948960481 1209475137 /nfs/dbraw/zinc/47/51/37/1209475137.db2.gz DFQXETRPXXQKDF-AYOQOUSVSA-N 1 2 326.440 2.293 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ncc2n1CCCC2 ZINC000948987494 1209491180 /nfs/dbraw/zinc/49/11/80/1209491180.db2.gz ZKHKWUVVGWZHSP-LJQANCHMSA-N 1 2 348.450 2.182 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ncc2n1CCCC2 ZINC000948987494 1209491183 /nfs/dbraw/zinc/49/11/83/1209491183.db2.gz ZKHKWUVVGWZHSP-LJQANCHMSA-N 1 2 348.450 2.182 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](F)c3ccccc3)CC2)C1 ZINC000949483176 1209708191 /nfs/dbraw/zinc/70/81/91/1209708191.db2.gz OOAMWKSECXWICC-KRWDZBQOSA-N 1 2 330.403 2.024 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](F)c3ccccc3)CC2)C1 ZINC000949483176 1209708192 /nfs/dbraw/zinc/70/81/92/1209708192.db2.gz OOAMWKSECXWICC-KRWDZBQOSA-N 1 2 330.403 2.024 20 30 EEEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC000949785139 1209839536 /nfs/dbraw/zinc/83/95/36/1209839536.db2.gz UHPSFDLXNMFFEG-PIIMJCKOSA-N 1 2 339.439 2.279 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](CCOc2ccccc2)C1 ZINC000949891704 1209909109 /nfs/dbraw/zinc/90/91/09/1209909109.db2.gz VPNYNWXSUTXCFH-UHFFFAOYSA-N 1 2 338.411 2.112 20 30 EEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779449597 1210324338 /nfs/dbraw/zinc/32/43/38/1210324338.db2.gz MKBKCJJFVYEKHB-OLZOCXBDSA-N 1 2 325.372 2.310 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2csc(-c3ncc[nH]3)n2)C1 ZINC000950932514 1210513184 /nfs/dbraw/zinc/51/31/84/1210513184.db2.gz SHUWVZPHBDXTCM-UHFFFAOYSA-N 1 2 331.445 2.256 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000951967607 1211138469 /nfs/dbraw/zinc/13/84/69/1211138469.db2.gz GCJHCRFLLNOJFY-WMLDXEAASA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000951967607 1211138471 /nfs/dbraw/zinc/13/84/71/1211138471.db2.gz GCJHCRFLLNOJFY-WMLDXEAASA-N 1 2 344.459 2.052 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC(N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000955268331 1212962106 /nfs/dbraw/zinc/96/21/06/1212962106.db2.gz RBKUPNVNGFNABU-LIRRHRJNSA-N 1 2 344.459 2.101 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)C3(CC)CC3)C2)CC1 ZINC000956599497 1214122053 /nfs/dbraw/zinc/12/20/53/1214122053.db2.gz PLGWWYTVONITKR-INIZCTEOSA-N 1 2 347.503 2.134 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@@H]2C1 ZINC001114653298 1214398990 /nfs/dbraw/zinc/39/89/90/1214398990.db2.gz CTHUCMDHSULWGP-YESZJQIVSA-N 1 2 326.444 2.310 20 30 EEEDLO C=CCCCC(=O)N1C[C@H](CNc2[nH+]cnc3c2cnn3C)C[C@@H]1C ZINC001114697389 1215011657 /nfs/dbraw/zinc/01/16/57/1215011657.db2.gz MESPGHNPRRBHIO-KBPBESRZSA-N 1 2 342.447 2.369 20 30 EEEDLO CCn1nc(C)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015741009 1225612086 /nfs/dbraw/zinc/61/20/86/1225612086.db2.gz GDLKVZMTVZCWSQ-QGZVFWFLSA-N 1 2 337.427 2.087 20 30 EEEDLO CCn1nc(C)cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015741009 1225612097 /nfs/dbraw/zinc/61/20/97/1225612097.db2.gz GDLKVZMTVZCWSQ-QGZVFWFLSA-N 1 2 337.427 2.087 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(CC)c(CC)o2)C1 ZINC000958595895 1215788276 /nfs/dbraw/zinc/78/82/76/1215788276.db2.gz VONKHOLPBOUEII-KGLIPLIRSA-N 1 2 340.851 2.179 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(CC)c(CC)o2)C1 ZINC000958595895 1215788278 /nfs/dbraw/zinc/78/82/78/1215788278.db2.gz VONKHOLPBOUEII-KGLIPLIRSA-N 1 2 340.851 2.179 20 30 EEEDLO COc1nc(C)ccc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015798901 1225683372 /nfs/dbraw/zinc/68/33/72/1225683372.db2.gz AJKQDFPWWRQZCF-SFHVURJKSA-N 1 2 349.434 2.254 20 30 EEEDLO COc1nc(C)ccc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015798901 1225683373 /nfs/dbraw/zinc/68/33/73/1225683373.db2.gz AJKQDFPWWRQZCF-SFHVURJKSA-N 1 2 349.434 2.254 20 30 EEEDLO Cc1csc(C[N@H+](C)C[C@@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)n1 ZINC000960540620 1216670392 /nfs/dbraw/zinc/67/03/92/1216670392.db2.gz OSTHKASYSJSCHN-AWEZNQCLSA-N 1 2 343.456 2.388 20 30 EEEDLO Cc1csc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)n1 ZINC000960540620 1216670395 /nfs/dbraw/zinc/67/03/95/1216670395.db2.gz OSTHKASYSJSCHN-AWEZNQCLSA-N 1 2 343.456 2.388 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[N@@H+](C)[C@@H](C)c2ncccn2)nc1 ZINC000960974917 1216995473 /nfs/dbraw/zinc/99/54/73/1216995473.db2.gz CLALKAGZSCKFGR-RDJZCZTQSA-N 1 2 349.438 2.151 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[N@H+](C)[C@@H](C)c2ncccn2)nc1 ZINC000960974917 1216995475 /nfs/dbraw/zinc/99/54/75/1216995475.db2.gz CLALKAGZSCKFGR-RDJZCZTQSA-N 1 2 349.438 2.151 20 30 EEEDLO C[C@@H](CC(=O)N1CCC([C@H]2CCCN(CC#N)C2)CC1)n1cc[nH+]c1 ZINC000961415262 1217180957 /nfs/dbraw/zinc/18/09/57/1217180957.db2.gz NHQVXXLCOKWZSL-WMZOPIPTSA-N 1 2 343.475 2.308 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015862121 1225760266 /nfs/dbraw/zinc/76/02/66/1225760266.db2.gz JZLFCMAFFFVBST-OAHLLOKOSA-N 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N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]nc3C3CC3)C2)s1 ZINC001015931303 1225845774 /nfs/dbraw/zinc/84/57/74/1225845774.db2.gz HWXWTCOATGQWRG-GFCCVEGCSA-N 1 2 341.440 2.225 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]nc3C3CC3)C2)s1 ZINC001015931303 1225845779 /nfs/dbraw/zinc/84/57/79/1225845779.db2.gz HWXWTCOATGQWRG-GFCCVEGCSA-N 1 2 341.440 2.225 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@H]2CCCN(C(=O)[C@@H](C)C#N)CC2)c(C)[nH+]1 ZINC000965075268 1218876092 /nfs/dbraw/zinc/87/60/92/1218876092.db2.gz SBFMAEDRQJHLOS-BBRMVZONSA-N 1 2 342.443 2.277 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC2(C[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000965714941 1219215664 /nfs/dbraw/zinc/21/56/64/1219215664.db2.gz DQSCWYYBGKBQMM-MAUKXSAKSA-N 1 2 344.459 2.052 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3nc(CC)no3)C[C@H]21 ZINC001114896159 1219415953 /nfs/dbraw/zinc/41/59/53/1219415953.db2.gz KFLUYSZJLFVXIF-CXTNEJHOSA-N 1 2 332.448 2.342 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3nc(CC)no3)C[C@H]21 ZINC001114896159 1219415956 /nfs/dbraw/zinc/41/59/56/1219415956.db2.gz KFLUYSZJLFVXIF-CXTNEJHOSA-N 1 2 332.448 2.342 20 30 EEEDLO Cn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c(Cl)n1 ZINC001015979858 1225918024 /nfs/dbraw/zinc/91/80/24/1225918024.db2.gz KJDLVBCALZKECB-JTQLQIEISA-N 1 2 349.847 2.011 20 30 EEEDLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c(Cl)n1 ZINC001015979858 1225918026 /nfs/dbraw/zinc/91/80/26/1225918026.db2.gz KJDLVBCALZKECB-JTQLQIEISA-N 1 2 349.847 2.011 20 30 EEEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(-c3cc[nH]n3)s2)C1 ZINC000966883822 1220092726 /nfs/dbraw/zinc/09/27/26/1220092726.db2.gz HPJWIOGBNUJOSU-TZMCWYRMSA-N 1 2 328.441 2.212 20 30 EEEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(-c3cc[nH]n3)s2)C1 ZINC000966883822 1220092730 /nfs/dbraw/zinc/09/27/30/1220092730.db2.gz HPJWIOGBNUJOSU-TZMCWYRMSA-N 1 2 328.441 2.212 20 30 EEEDLO CCc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)no1 ZINC001016024003 1225968363 /nfs/dbraw/zinc/96/83/63/1225968363.db2.gz MNRDDEQVTGACCX-CQSZACIVSA-N 1 2 342.374 2.252 20 30 EEEDLO CCc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)no1 ZINC001016024003 1225968371 /nfs/dbraw/zinc/96/83/71/1225968371.db2.gz MNRDDEQVTGACCX-CQSZACIVSA-N 1 2 342.374 2.252 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1csnn1 ZINC000967493203 1220562770 /nfs/dbraw/zinc/56/27/70/1220562770.db2.gz FCJKYIBMQALTIM-DOMZBBRYSA-N 1 2 341.440 2.050 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1csnn1 ZINC000967493203 1220562772 /nfs/dbraw/zinc/56/27/72/1220562772.db2.gz FCJKYIBMQALTIM-DOMZBBRYSA-N 1 2 341.440 2.050 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccn(C)n3)CC[C@@H]2C)cc1 ZINC000967675466 1220728090 /nfs/dbraw/zinc/72/80/90/1220728090.db2.gz GIMNCVDVMISDLE-KXBFYZLASA-N 1 2 336.439 2.042 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccn(C)n3)CC[C@@H]2C)cc1 ZINC000967675466 1220728094 /nfs/dbraw/zinc/72/80/94/1220728094.db2.gz GIMNCVDVMISDLE-KXBFYZLASA-N 1 2 336.439 2.042 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnn3c2CCCC3)C1 ZINC000968509714 1221364690 /nfs/dbraw/zinc/36/46/90/1221364690.db2.gz NZGTYXSKSRUBLN-IUODEOHRSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnn3c2CCCC3)C1 ZINC000968509714 1221364692 /nfs/dbraw/zinc/36/46/92/1221364692.db2.gz NZGTYXSKSRUBLN-IUODEOHRSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ncc3n2CCCC3)C1 ZINC000968678804 1221485773 /nfs/dbraw/zinc/48/57/73/1221485773.db2.gz VLVBHADRCUWYLL-IUODEOHRSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ncc3n2CCCC3)C1 ZINC000968678804 1221485775 /nfs/dbraw/zinc/48/57/75/1221485775.db2.gz VLVBHADRCUWYLL-IUODEOHRSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc(OCC)cn2)C1 ZINC000968710738 1221508558 /nfs/dbraw/zinc/50/85/58/1221508558.db2.gz SNPLVTZXFONXFI-BXUZGUMPSA-N 1 2 338.839 2.068 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc(OCC)cn2)C1 ZINC000968710738 1221508560 /nfs/dbraw/zinc/50/85/60/1221508560.db2.gz SNPLVTZXFONXFI-BXUZGUMPSA-N 1 2 338.839 2.068 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)c(F)c1 ZINC000968752939 1221539271 /nfs/dbraw/zinc/53/92/71/1221539271.db2.gz VVPHMGWAPMYAHN-DGCLKSJQSA-N 1 2 347.287 2.288 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)c(F)c1 ZINC000968752939 1221539274 /nfs/dbraw/zinc/53/92/74/1221539274.db2.gz VVPHMGWAPMYAHN-DGCLKSJQSA-N 1 2 347.287 2.288 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000968795002 1221576658 /nfs/dbraw/zinc/57/66/58/1221576658.db2.gz AYEXMWHOHSYKIP-GFCCVEGCSA-N 1 2 338.839 2.416 20 30 EEEDLO Cc1cc(C[N@@H+]2CCCCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)no1 ZINC000968821820 1221598599 /nfs/dbraw/zinc/59/85/99/1221598599.db2.gz FXSNJEVKFMMZII-MRXNPFEDSA-N 1 2 341.415 2.357 20 30 EEEDLO Cc1cc(C[N@H+]2CCCCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)no1 ZINC000968821820 1221598600 /nfs/dbraw/zinc/59/86/00/1221598600.db2.gz FXSNJEVKFMMZII-MRXNPFEDSA-N 1 2 341.415 2.357 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([NH2+]Cc2ncc(CC)o2)C1 ZINC000968924372 1221676000 /nfs/dbraw/zinc/67/60/00/1221676000.db2.gz DPHZAALPPAKUHM-CQSZACIVSA-N 1 2 328.416 2.229 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(C(N)=O)o1 ZINC000968940872 1221689630 /nfs/dbraw/zinc/68/96/30/1221689630.db2.gz CBWKJKIWEUHSLD-GFCCVEGCSA-N 1 2 339.823 2.105 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(C(N)=O)o1 ZINC000968940872 1221689633 /nfs/dbraw/zinc/68/96/33/1221689633.db2.gz CBWKJKIWEUHSLD-GFCCVEGCSA-N 1 2 339.823 2.105 20 30 EEEDLO Cc1ncncc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001006817329 1221959522 /nfs/dbraw/zinc/95/95/22/1221959522.db2.gz XIULOVWYODRIIZ-QGZVFWFLSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1ncncc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001006817329 1221959525 /nfs/dbraw/zinc/95/95/25/1221959525.db2.gz XIULOVWYODRIIZ-QGZVFWFLSA-N 1 2 335.411 2.051 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2ccnc(F)c2)C1 ZINC001006904813 1222004863 /nfs/dbraw/zinc/00/48/63/1222004863.db2.gz KSVBUTJIXVVQJN-QGZVFWFLSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccnc(F)c2)C1 ZINC001006904813 1222004865 /nfs/dbraw/zinc/00/48/65/1222004865.db2.gz KSVBUTJIXVVQJN-QGZVFWFLSA-N 1 2 338.386 2.487 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001016113668 1226097011 /nfs/dbraw/zinc/09/70/11/1226097011.db2.gz LFWKNGGITSITBB-GOSISDBHSA-N 1 2 337.423 2.206 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001016113668 1226097015 /nfs/dbraw/zinc/09/70/15/1226097015.db2.gz LFWKNGGITSITBB-GOSISDBHSA-N 1 2 337.423 2.206 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1ccc(F)cn1 ZINC001007175106 1222120297 /nfs/dbraw/zinc/12/02/97/1222120297.db2.gz UIMORKJTVFBXLU-SFHVURJKSA-N 1 2 337.398 2.467 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1ccc(F)cn1 ZINC001007175106 1222120298 /nfs/dbraw/zinc/12/02/98/1222120298.db2.gz UIMORKJTVFBXLU-SFHVURJKSA-N 1 2 337.398 2.467 20 30 EEEDLO C=C(Cl)CN1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001007383700 1222199837 /nfs/dbraw/zinc/19/98/37/1222199837.db2.gz YGLWYFGGZRQRJN-AWEZNQCLSA-N 1 2 336.867 2.095 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001008007234 1222561191 /nfs/dbraw/zinc/56/11/91/1222561191.db2.gz AYUMLBSSUQNTNP-QRVBRYPASA-N 1 2 341.455 2.454 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001008007234 1222561195 /nfs/dbraw/zinc/56/11/95/1222561195.db2.gz AYUMLBSSUQNTNP-QRVBRYPASA-N 1 2 341.455 2.454 20 30 EEEDLO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1)n1cccc1 ZINC001010567479 1223787317 /nfs/dbraw/zinc/78/73/17/1223787317.db2.gz PJPWCMRWDUJJAA-PBHICJAKSA-N 1 2 340.402 2.451 20 30 EEEDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1)n1cccc1 ZINC001010567479 1223787320 /nfs/dbraw/zinc/78/73/20/1223787320.db2.gz PJPWCMRWDUJJAA-PBHICJAKSA-N 1 2 340.402 2.451 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1ccc(F)cn1 ZINC001010719968 1223869301 /nfs/dbraw/zinc/86/93/01/1223869301.db2.gz UBMMPWPUXIIWIF-KRWDZBQOSA-N 1 2 341.361 2.216 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)c1ccc(F)cn1 ZINC001010719968 1223869305 /nfs/dbraw/zinc/86/93/05/1223869305.db2.gz UBMMPWPUXIIWIF-KRWDZBQOSA-N 1 2 341.361 2.216 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C(=O)CCC)C1 ZINC001016322911 1226341353 /nfs/dbraw/zinc/34/13/53/1226341353.db2.gz AZQGAHGSDZMENI-HUUCEWRRSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C(=O)CCC)C1 ZINC001016322911 1226341358 /nfs/dbraw/zinc/34/13/58/1226341358.db2.gz AZQGAHGSDZMENI-HUUCEWRRSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001014452406 1226633466 /nfs/dbraw/zinc/63/34/66/1226633466.db2.gz PQKAGBCNYCNKRO-FVQBIDKESA-N 1 2 348.878 2.097 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001014452406 1226633470 /nfs/dbraw/zinc/63/34/70/1226633470.db2.gz PQKAGBCNYCNKRO-FVQBIDKESA-N 1 2 348.878 2.097 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)c[nH]1 ZINC001017713068 1227667134 /nfs/dbraw/zinc/66/71/34/1227667134.db2.gz GCXJLOJSAPVRJC-BETUJISGSA-N 1 2 336.233 2.089 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)c[nH]1 ZINC001017713068 1227667137 /nfs/dbraw/zinc/66/71/37/1227667137.db2.gz GCXJLOJSAPVRJC-BETUJISGSA-N 1 2 336.233 2.089 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2noc(CCC)n2)C1 ZINC001020239805 1229574811 /nfs/dbraw/zinc/57/48/11/1229574811.db2.gz IGLVCGFAEVBSRZ-HDJSIYSDSA-N 1 2 343.431 2.060 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1C[C@H]1c1ccncc1 ZINC001038273876 1229718123 /nfs/dbraw/zinc/71/81/23/1229718123.db2.gz QMHDVDFUESNTMT-QHAWAJNXSA-N 1 2 345.446 2.427 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1C[C@H]1c1ccncc1 ZINC001038273876 1229718125 /nfs/dbraw/zinc/71/81/25/1229718125.db2.gz QMHDVDFUESNTMT-QHAWAJNXSA-N 1 2 345.446 2.427 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccn3ccnc3c2)cc1 ZINC001038509619 1229881868 /nfs/dbraw/zinc/88/18/68/1229881868.db2.gz YPLPZIRXEUDNQI-SFHVURJKSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccn3ccnc3c2)cc1 ZINC001038509619 1229881876 /nfs/dbraw/zinc/88/18/76/1229881876.db2.gz YPLPZIRXEUDNQI-SFHVURJKSA-N 1 2 345.406 2.210 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc(F)c[nH]2)cc1C#N ZINC001038529009 1229898168 /nfs/dbraw/zinc/89/81/68/1229898168.db2.gz VSIXOBDITRPGJU-OAHLLOKOSA-N 1 2 342.374 2.038 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc(F)c[nH]2)cc1C#N ZINC001038529009 1229898174 /nfs/dbraw/zinc/89/81/74/1229898174.db2.gz VSIXOBDITRPGJU-OAHLLOKOSA-N 1 2 342.374 2.038 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2cnc(C)s2)cc1 ZINC001038578812 1229925904 /nfs/dbraw/zinc/92/59/04/1229925904.db2.gz PEOGAHIQTVINIM-MRXNPFEDSA-N 1 2 325.437 2.437 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cnc(C)s2)cc1 ZINC001038578812 1229925905 /nfs/dbraw/zinc/92/59/05/1229925905.db2.gz PEOGAHIQTVINIM-MRXNPFEDSA-N 1 2 325.437 2.437 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1c(C)nsc1C ZINC001038809061 1230072140 /nfs/dbraw/zinc/07/21/40/1230072140.db2.gz WTFRJJSNWVHQAQ-VYDXJSESSA-N 1 2 349.500 2.432 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1c(C)nsc1C ZINC001038809061 1230072144 /nfs/dbraw/zinc/07/21/44/1230072144.db2.gz WTFRJJSNWVHQAQ-VYDXJSESSA-N 1 2 349.500 2.432 20 30 EEEDLO Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC001039347043 1230543459 /nfs/dbraw/zinc/54/34/59/1230543459.db2.gz QYZSOEFBVSREGX-BNOWGMLFSA-N 1 2 349.866 2.107 20 30 EEEDLO Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC001039347043 1230543461 /nfs/dbraw/zinc/54/34/61/1230543461.db2.gz QYZSOEFBVSREGX-BNOWGMLFSA-N 1 2 349.866 2.107 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)s1 ZINC001039373040 1230559821 /nfs/dbraw/zinc/55/98/21/1230559821.db2.gz BDPKEMYCFKSOCF-CVEARBPZSA-N 1 2 329.469 2.430 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)s1 ZINC001039373040 1230559825 /nfs/dbraw/zinc/55/98/25/1230559825.db2.gz BDPKEMYCFKSOCF-CVEARBPZSA-N 1 2 329.469 2.430 20 30 EEEDLO N#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccn2)[nH]1 ZINC001039548582 1230689508 /nfs/dbraw/zinc/68/95/08/1230689508.db2.gz CDNWUJSSHBJGDD-CALCHBBNSA-N 1 2 335.411 2.160 20 30 EEEDLO N#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccn2)[nH]1 ZINC001039548582 1230689512 /nfs/dbraw/zinc/68/95/12/1230689512.db2.gz CDNWUJSSHBJGDD-CALCHBBNSA-N 1 2 335.411 2.160 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1nonc1C)C2 ZINC001040327311 1231171867 /nfs/dbraw/zinc/17/18/67/1231171867.db2.gz DXHASUDZVMHPMM-GOSISDBHSA-N 1 2 332.448 2.405 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1nonc1C)C2 ZINC001040327311 1231171868 /nfs/dbraw/zinc/17/18/68/1231171868.db2.gz DXHASUDZVMHPMM-GOSISDBHSA-N 1 2 332.448 2.405 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1nc(C)no1)C2 ZINC001040329068 1231172310 /nfs/dbraw/zinc/17/23/10/1231172310.db2.gz QZRUGPLVTRDQAS-GOSISDBHSA-N 1 2 332.448 2.405 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1nc(C)no1)C2 ZINC001040329068 1231172312 /nfs/dbraw/zinc/17/23/12/1231172312.db2.gz QZRUGPLVTRDQAS-GOSISDBHSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cnon2)C3)C1 ZINC001040380102 1231195785 /nfs/dbraw/zinc/19/57/85/1231195785.db2.gz NDZSWXRMWOMQMJ-GOSISDBHSA-N 1 2 330.432 2.240 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2cnon2)C3)C1 ZINC001040380102 1231195786 /nfs/dbraw/zinc/19/57/86/1231195786.db2.gz NDZSWXRMWOMQMJ-GOSISDBHSA-N 1 2 330.432 2.240 20 30 EEEDLO Cc1nc(NC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)cc[nH+]1 ZINC001040409149 1231215154 /nfs/dbraw/zinc/21/51/54/1231215154.db2.gz JLBJWPIRGIXMTN-TZMCWYRMSA-N 1 2 338.415 2.195 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cn[nH]c3-c3ccccn3)C[C@H]21 ZINC001042089170 1231880485 /nfs/dbraw/zinc/88/04/85/1231880485.db2.gz VGMSDNWKLGTRAW-MAUKXSAKSA-N 1 2 349.438 2.031 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cn[nH]c3-c3ccccn3)C[C@H]21 ZINC001042089170 1231880486 /nfs/dbraw/zinc/88/04/86/1231880486.db2.gz VGMSDNWKLGTRAW-MAUKXSAKSA-N 1 2 349.438 2.031 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(CC)nn3)[C@@H]2C1 ZINC001042182346 1231941781 /nfs/dbraw/zinc/94/17/81/1231941781.db2.gz DSLJVODBTQDDIE-NVXWUHKLSA-N 1 2 345.491 2.323 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(CC)nn3)[C@@H]2C1 ZINC001042182346 1231941783 /nfs/dbraw/zinc/94/17/83/1231941783.db2.gz DSLJVODBTQDDIE-NVXWUHKLSA-N 1 2 345.491 2.323 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4cnon4)[C@H]3C2)CC1 ZINC001042216025 1231960319 /nfs/dbraw/zinc/96/03/19/1231960319.db2.gz KUTQPCNAARMEHH-PBHICJAKSA-N 1 2 330.432 2.239 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cnon4)[C@H]3C2)CC1 ZINC001042216025 1231960323 /nfs/dbraw/zinc/96/03/23/1231960323.db2.gz KUTQPCNAARMEHH-PBHICJAKSA-N 1 2 330.432 2.239 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4nc(C)no4)[C@H]3C2)C1 ZINC001042224959 1231967454 /nfs/dbraw/zinc/96/74/54/1231967454.db2.gz TYHGCGQLLZSXHT-GJZGRUSLSA-N 1 2 330.432 2.157 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@H+](Cc4nc(C)no4)[C@H]3C2)C1 ZINC001042224959 1231967458 /nfs/dbraw/zinc/96/74/58/1231967458.db2.gz TYHGCGQLLZSXHT-GJZGRUSLSA-N 1 2 330.432 2.157 20 30 EEEDLO C[C@H]([NH2+][C@H](CO)c1cc(F)ccc1F)C(=O)Nc1cccc(C#N)c1 ZINC001413075333 1231997949 /nfs/dbraw/zinc/99/79/49/1231997949.db2.gz BYLNLLNUXOZWKR-APPDUMDISA-N 1 2 345.349 2.487 20 30 EEEDLO Cc1cccc(OCC[NH+]2CC(N(C)C(=O)c3c[nH]c(C#N)c3)C2)c1 ZINC001042630204 1232125476 /nfs/dbraw/zinc/12/54/76/1232125476.db2.gz DFQNYJULOYAASC-UHFFFAOYSA-N 1 2 338.411 2.030 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C1C[NH+](CCc2scnc2C)C1 ZINC001042930830 1232201044 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347.484 2.291 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)n1cccn1 ZINC001096834650 1243344653 /nfs/dbraw/zinc/34/46/53/1243344653.db2.gz PEJNGVRZDYLXOE-AXUOBQJMSA-N 1 2 349.438 2.237 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)n1cccn1 ZINC001096834650 1243344659 /nfs/dbraw/zinc/34/46/59/1243344659.db2.gz PEJNGVRZDYLXOE-AXUOBQJMSA-N 1 2 349.438 2.237 20 30 EEEDLO C=CCCC(=O)N[C@H]1C[C@H](Nc2[nH+]c(C)nc(-n3cccn3)c2C)C1 ZINC001097002260 1243563198 /nfs/dbraw/zinc/56/31/98/1243563198.db2.gz YOJIKILGKRUJTI-SHTZXODSSA-N 1 2 340.431 2.304 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097042593 1243611872 /nfs/dbraw/zinc/61/18/72/1243611872.db2.gz QURLIHYAIFSAHH-BPLDGKMQSA-N 1 2 330.432 2.313 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC(Nc3[nH+]cnc4c3cnn4C)CC2)C1 ZINC001057423310 1243715998 /nfs/dbraw/zinc/71/59/98/1243715998.db2.gz QUZIFNCDRMCFPQ-UHFFFAOYSA-N 1 2 340.431 2.123 20 30 EEEDLO 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C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCn3nccc31)C2 ZINC001097365273 1244082283 /nfs/dbraw/zinc/08/22/83/1244082283.db2.gz OPQDJRCJMUQVFT-CTASWTNQSA-N 1 2 334.851 2.235 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001050817821 1244436758 /nfs/dbraw/zinc/43/67/58/1244436758.db2.gz WEANJQLNSHZEET-GOEBONIOSA-N 1 2 344.459 2.074 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ocnc1-c1ccccc1 ZINC001050947657 1244692429 /nfs/dbraw/zinc/69/24/29/1244692429.db2.gz DBALWLNNYOHFNV-MRXNPFEDSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ocnc1-c1ccccc1 ZINC001050947657 1244692438 /nfs/dbraw/zinc/69/24/38/1244692438.db2.gz DBALWLNNYOHFNV-MRXNPFEDSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)nc1 ZINC001051055513 1244920015 /nfs/dbraw/zinc/92/00/15/1244920015.db2.gz QXHISKKEPIZCMF-ZDUSSCGKSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)nc1 ZINC001051055513 1244920020 /nfs/dbraw/zinc/92/00/20/1244920020.db2.gz QXHISKKEPIZCMF-ZDUSSCGKSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(-c2cccs2)n[nH]1 ZINC001051126340 1245011999 /nfs/dbraw/zinc/01/19/99/1245011999.db2.gz DXFKROGYRXERFF-ZDUSSCGKSA-N 1 2 346.456 2.145 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(-c2cccs2)n[nH]1 ZINC001051126340 1245012007 /nfs/dbraw/zinc/01/20/07/1245012007.db2.gz DXFKROGYRXERFF-ZDUSSCGKSA-N 1 2 346.456 2.145 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(OC)c(C)c(OC)c1 ZINC001051234503 1245422695 /nfs/dbraw/zinc/42/26/95/1245422695.db2.gz AQKLBVFOEBCREB-INIZCTEOSA-N 1 2 348.443 2.019 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(OC)c(C)c(OC)c1 ZINC001051234503 1245422698 /nfs/dbraw/zinc/42/26/98/1245422698.db2.gz AQKLBVFOEBCREB-INIZCTEOSA-N 1 2 348.443 2.019 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001051289684 1245484038 /nfs/dbraw/zinc/48/40/38/1245484038.db2.gz VUDSGYZNEXBYNK-HZPDHXFCSA-N 1 2 346.475 2.229 20 30 EEEDLO CCCN(CCNC(=O)c1cccc2[nH+]ccn21)c1ccc(C#N)nc1 ZINC001101204886 1245520182 /nfs/dbraw/zinc/52/01/82/1245520182.db2.gz LHXKWHVGKUCNCX-UHFFFAOYSA-N 1 2 348.410 2.247 20 30 EEEDLO Cc1nc(N(C)C[C@@H]2CCCCN2C(=O)[C@@H](C)C#N)c(C)c(C)[nH+]1 ZINC001051321335 1245540643 /nfs/dbraw/zinc/54/06/43/1245540643.db2.gz KWFJVAHQAUCAGE-LRDDRELGSA-N 1 2 329.448 2.379 20 30 EEEDLO CC(C)C#CC(=O)N1C[C@H]2C[N@H+](Cc3nc(C(C)C)no3)C[C@@]2(C)C1 ZINC001101229697 1245545870 /nfs/dbraw/zinc/54/58/70/1245545870.db2.gz JGRJDSIROLCAFC-BEFAXECRSA-N 1 2 344.459 2.133 20 30 EEEDLO CC(C)C#CC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C(C)C)no3)C[C@@]2(C)C1 ZINC001101229697 1245545876 /nfs/dbraw/zinc/54/58/76/1245545876.db2.gz JGRJDSIROLCAFC-BEFAXECRSA-N 1 2 344.459 2.133 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]([C@H](C)NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001051516616 1245814078 /nfs/dbraw/zinc/81/40/78/1245814078.db2.gz SZQVGICRBKHQQY-GOEBONIOSA-N 1 2 344.459 2.052 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCOC2(C[NH+]([C@@H]3CCCc4ccccc43)C2)C1 ZINC001053190611 1246030368 /nfs/dbraw/zinc/03/03/68/1246030368.db2.gz AOHMDAIOYXICHL-CRAIPNDOSA-N 1 2 339.439 2.137 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)COCCCCCC)c1nccn12 ZINC001101650797 1246082871 /nfs/dbraw/zinc/08/28/71/1246082871.db2.gz BMTWNFHMUZULPT-MRXNPFEDSA-N 1 2 346.475 2.238 20 30 EEEDLO CN(CCNc1ncc(C#N)cc1Cl)C(=O)CCCn1cc[nH+]c1 ZINC001101662788 1246095429 /nfs/dbraw/zinc/09/54/29/1246095429.db2.gz ANESKSMXNSDOMC-UHFFFAOYSA-N 1 2 346.822 2.154 20 30 EEEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1conc1C(C)C)CCO2 ZINC001053285909 1246142848 /nfs/dbraw/zinc/14/28/48/1246142848.db2.gz QIVFZOXKNHTOND-UHFFFAOYSA-N 1 2 333.432 2.291 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1(C(F)(F)F)CCC1)CCO2 ZINC001053310818 1246171169 /nfs/dbraw/zinc/17/11/69/1246171169.db2.gz KCKNWTNUBWQSQQ-UHFFFAOYSA-N 1 2 332.366 2.208 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCNc1cccc(F)c1C#N ZINC001101991548 1246289788 /nfs/dbraw/zinc/28/97/88/1246289788.db2.gz AAMDZIQXNGXYRO-GFCCVEGCSA-N 1 2 329.379 2.170 20 30 EEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCNc1cccc(F)c1C#N ZINC001101991548 1246289798 /nfs/dbraw/zinc/28/97/98/1246289798.db2.gz AAMDZIQXNGXYRO-GFCCVEGCSA-N 1 2 329.379 2.170 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CO[C@H]1CCCC[C@@H]1C)CCO2 ZINC001053454318 1246347923 /nfs/dbraw/zinc/34/79/23/1246347923.db2.gz UTDPBHKAUUBZGU-IRXDYDNUSA-N 1 2 336.476 2.071 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C3CCCCCC3)C2)CC1 ZINC001051991562 1246351038 /nfs/dbraw/zinc/35/10/38/1246351038.db2.gz JKJBFABNICRQHX-LJQANCHMSA-N 1 2 331.504 2.199 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc([C@@H](C)CC)no1)CCO2 ZINC001053463698 1246363360 /nfs/dbraw/zinc/36/33/60/1246363360.db2.gz JMJWEKCPPZAAIX-AWEZNQCLSA-N 1 2 333.432 2.291 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CC(C)(C)C3CC3)C2)CC1 ZINC001052024546 1246386617 /nfs/dbraw/zinc/38/66/17/1246386617.db2.gz GMMAFHPSMWBFCK-SFHVURJKSA-N 1 2 331.504 2.055 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)COC3CCCCC3)C2)CC1 ZINC001052045099 1246415322 /nfs/dbraw/zinc/41/53/22/1246415322.db2.gz PNPCXXIACXOWLL-SFHVURJKSA-N 1 2 349.519 2.130 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C)cc(Cl)c3)C2)CC1 ZINC001052052770 1246423997 /nfs/dbraw/zinc/42/39/97/1246423997.db2.gz XCQSNTYLXSMZRL-SFHVURJKSA-N 1 2 345.874 2.114 20 30 EEEDLO Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cc1Cl ZINC001052074935 1246448744 /nfs/dbraw/zinc/44/87/44/1246448744.db2.gz PDOLLVYOSUGCLB-INIZCTEOSA-N 1 2 346.862 2.004 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C)c(C)c3)C2)CC1 ZINC001052114584 1246497752 /nfs/dbraw/zinc/49/77/52/1246497752.db2.gz NMMQQAKMBFXLAX-HXUWFJFHSA-N 1 2 339.483 2.159 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC2(C[NH+](CC=C(C)C)C2)O1 ZINC001053600875 1246515843 /nfs/dbraw/zinc/51/58/43/1246515843.db2.gz USICKOHAXDKAFU-KURKYZTESA-N 1 2 348.487 2.283 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(F)ccc1OC)O2 ZINC001053635632 1246568109 /nfs/dbraw/zinc/56/81/09/1246568109.db2.gz ILBYZNZCULQUPV-HNNXBMFYSA-N 1 2 348.418 2.374 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3ccccc3n1C)O2 ZINC001053654305 1246597133 /nfs/dbraw/zinc/59/71/33/1246597133.db2.gz ILEMMNBAFUDKJJ-INIZCTEOSA-N 1 2 339.439 2.328 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ncccc1OCCC)O2 ZINC001053658266 1246602025 /nfs/dbraw/zinc/60/20/25/1246602025.db2.gz VHYZQHDIZDIIHI-OAHLLOKOSA-N 1 2 345.443 2.020 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1Cc3ccccc3C1)O2 ZINC001053665371 1246612285 /nfs/dbraw/zinc/61/22/85/1246612285.db2.gz QEHJQTBTLBSULR-IBGZPJMESA-N 1 2 340.467 2.327 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1oc(C3CC3)nc1C)O2 ZINC001053674937 1246627939 /nfs/dbraw/zinc/62/79/39/1246627939.db2.gz ZJRIFNSNKVPFAR-HNNXBMFYSA-N 1 2 345.443 2.400 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc(OC(C)C)n1)O2 ZINC001053679673 1246633352 /nfs/dbraw/zinc/63/33/52/1246633352.db2.gz KKMVFYJIGVWSRU-HNNXBMFYSA-N 1 2 345.443 2.018 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnoc1C1CC1)O2 ZINC001053683268 1246641465 /nfs/dbraw/zinc/64/14/65/1246641465.db2.gz QCFWSAVVVQRKMX-AWEZNQCLSA-N 1 2 331.416 2.091 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(C)[nH]nc1C(C)C)O2 ZINC001053687302 1246651635 /nfs/dbraw/zinc/65/16/35/1246651635.db2.gz NKVKPAOQGJQHNB-OAHLLOKOSA-N 1 2 346.475 2.381 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(C)n[nH]c1C(C)C)O2 ZINC001053687302 1246651639 /nfs/dbraw/zinc/65/16/39/1246651639.db2.gz NKVKPAOQGJQHNB-OAHLLOKOSA-N 1 2 346.475 2.381 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c3ccc(F)cc31)O2 ZINC001053703602 1246682069 /nfs/dbraw/zinc/68/20/69/1246682069.db2.gz KQRAZEVMMZFZJM-AWEZNQCLSA-N 1 2 343.402 2.456 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccc(OC)cc1C)CO2 ZINC001053817367 1246832128 /nfs/dbraw/zinc/83/21/28/1246832128.db2.gz KPFMZCARGAVTIS-KRWDZBQOSA-N 1 2 344.455 2.082 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1coc3cc(F)ccc31)CO2 ZINC001053853895 1246913326 /nfs/dbraw/zinc/91/33/26/1246913326.db2.gz PMEBXNVBICXLIY-CQSZACIVSA-N 1 2 342.370 2.168 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(F)c1Cl)CO2 ZINC001053940016 1247039140 /nfs/dbraw/zinc/03/91/40/1247039140.db2.gz UBPQIPIVJUPVIH-LBPRGKRZSA-N 1 2 336.794 2.076 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1oc(C(C)C)nc1C)CO2 ZINC001053951576 1247059101 /nfs/dbraw/zinc/05/91/01/1247059101.db2.gz ZNNUUIATWGCGMQ-CQSZACIVSA-N 1 2 333.432 2.256 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc3c1CCC3)CO2 ZINC001054020369 1247160431 /nfs/dbraw/zinc/16/04/31/1247160431.db2.gz KTXCANWXOUCSCW-INIZCTEOSA-N 1 2 326.440 2.325 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccnc1OC(C)C)CO2 ZINC001054027303 1247168811 /nfs/dbraw/zinc/16/88/11/1247168811.db2.gz NQMSOHMUWMLBEU-OAHLLOKOSA-N 1 2 345.443 2.018 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc2cc[nH]c2n1 ZINC001054044601 1247215057 /nfs/dbraw/zinc/21/50/57/1247215057.db2.gz ZGPKOCVVAXSVGG-GOSISDBHSA-N 1 2 344.418 2.353 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc2cc[nH]c2n1 ZINC001054044601 1247215068 /nfs/dbraw/zinc/21/50/68/1247215068.db2.gz ZGPKOCVVAXSVGG-GOSISDBHSA-N 1 2 344.418 2.353 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC001054046985 1247225308 /nfs/dbraw/zinc/22/53/08/1247225308.db2.gz UVVQVXMEXKXXFI-CTNGQTDRSA-N 1 2 346.430 2.166 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC001054046985 1247225314 /nfs/dbraw/zinc/22/53/14/1247225314.db2.gz UVVQVXMEXKXXFI-CTNGQTDRSA-N 1 2 346.430 2.166 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cnn(CC)c1C ZINC001054057767 1247260742 /nfs/dbraw/zinc/26/07/42/1247260742.db2.gz RTULYZCPBWLYPN-SFHVURJKSA-N 1 2 336.439 2.001 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cnn(CC)c1C ZINC001054057767 1247260753 /nfs/dbraw/zinc/26/07/53/1247260753.db2.gz RTULYZCPBWLYPN-SFHVURJKSA-N 1 2 336.439 2.001 20 30 EEEDLO C[C@H](CC(=O)N1CCC[C@H](Nc2ncccc2C#N)C1)n1cc[nH+]c1 ZINC001057763803 1247291625 /nfs/dbraw/zinc/29/16/25/1247291625.db2.gz GLJOJAZPTHXMGU-ZBFHGGJFSA-N 1 2 338.415 2.204 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001057767771 1247376652 /nfs/dbraw/zinc/37/66/52/1247376652.db2.gz KNNOJRPHJJMNMJ-ZOBUZTSGSA-N 1 2 330.432 2.169 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccnc(OCC)c3)cc2C1 ZINC001054280935 1247994029 /nfs/dbraw/zinc/99/40/29/1247994029.db2.gz XPQRKMVAACOLQW-UHFFFAOYSA-N 1 2 335.407 2.359 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccnc(OCC)c3)cc2C1 ZINC001054280935 1247994039 /nfs/dbraw/zinc/99/40/39/1247994039.db2.gz XPQRKMVAACOLQW-UHFFFAOYSA-N 1 2 335.407 2.359 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3Cc4cccnc4C3)cc2C1 ZINC001054290444 1248025044 /nfs/dbraw/zinc/02/50/44/1248025044.db2.gz BVVGBGOORXZSPA-SFHVURJKSA-N 1 2 331.419 2.062 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3Cc4cccnc4C3)cc2C1 ZINC001054290444 1248025048 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/nfs/dbraw/zinc/27/85/17/1320278517.db2.gz CGCCCNREPTZBKC-UHFFFAOYSA-N 1 2 340.221 2.335 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)c2cnco2)CC1 ZINC001160815769 1320278522 /nfs/dbraw/zinc/27/85/22/1320278522.db2.gz CGCCCNREPTZBKC-UHFFFAOYSA-N 1 2 340.221 2.335 20 30 EEEDLO C[NH+]1CCN(C(=O)c2ccnc(N[C@H](C#N)c3ccccc3)c2)CC1 ZINC001161712068 1320598054 /nfs/dbraw/zinc/59/80/54/1320598054.db2.gz XZOYCHYEVRASTF-QGZVFWFLSA-N 1 2 335.411 2.146 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(O)c(O)c3)CC2)c(F)c1 ZINC001203880760 1321981446 /nfs/dbraw/zinc/98/14/46/1321981446.db2.gz YTXXJHHRLZOLOV-UHFFFAOYSA-N 1 2 327.359 2.431 20 30 EEEDLO C=CC[C@@H](NC(=O)C(=O)NCc1c[nH+]c(C)cc1C)c1ccncc1 ZINC001261397233 1322090423 /nfs/dbraw/zinc/09/04/23/1322090423.db2.gz VKADLUKPTXLIKO-QGZVFWFLSA-N 1 2 338.411 2.143 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)C1Cc2ccccc2C1 ZINC001262991106 1322417597 /nfs/dbraw/zinc/41/75/97/1322417597.db2.gz ZEPNTEOITURXIZ-UHFFFAOYSA-N 1 2 348.454 2.392 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)CCc1cnccn1 ZINC001263301799 1322455210 /nfs/dbraw/zinc/45/52/10/1322455210.db2.gz YLKZJLFDORNFKY-INIZCTEOSA-N 1 2 341.463 2.090 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)CCc1cnccn1 ZINC001263301799 1322455215 /nfs/dbraw/zinc/45/52/15/1322455215.db2.gz YLKZJLFDORNFKY-INIZCTEOSA-N 1 2 341.463 2.090 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)CCCC ZINC001263315673 1322459476 /nfs/dbraw/zinc/45/94/76/1322459476.db2.gz FGUKYIWYWZMGCV-UHFFFAOYSA-N 1 2 335.496 2.295 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001265283973 1323034929 /nfs/dbraw/zinc/03/49/29/1323034929.db2.gz KQXKWRKVOWDDAS-AWEZNQCLSA-N 1 2 338.810 2.210 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001265283973 1323034933 /nfs/dbraw/zinc/03/49/33/1323034933.db2.gz KQXKWRKVOWDDAS-AWEZNQCLSA-N 1 2 338.810 2.210 20 30 EEEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001206303824 1323450969 /nfs/dbraw/zinc/45/09/69/1323450969.db2.gz RQEBVGBIDNWUCF-UHFFFAOYSA-N 1 2 326.400 2.344 20 30 EEEDLO Cn1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC001206309628 1323451914 /nfs/dbraw/zinc/45/19/14/1323451914.db2.gz FFXCXPIWWJHFIR-UHFFFAOYSA-N 1 2 338.415 2.078 20 30 EEEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1cc(OC)c(C#N)cn1 ZINC001206477381 1323506540 /nfs/dbraw/zinc/50/65/40/1323506540.db2.gz RJIRBQYQJLODEH-UHFFFAOYSA-N 1 2 339.395 2.470 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1C ZINC001206662314 1323554851 /nfs/dbraw/zinc/55/48/51/1323554851.db2.gz GXTRBRUMAZHCMZ-CKEIUWERSA-N 1 2 338.411 2.438 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1C ZINC001206662314 1323554858 /nfs/dbraw/zinc/55/48/58/1323554858.db2.gz GXTRBRUMAZHCMZ-CKEIUWERSA-N 1 2 338.411 2.438 20 30 EEEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3c(F)cncc3F)CC2)nc1 ZINC001206863201 1323639224 /nfs/dbraw/zinc/63/92/24/1323639224.db2.gz WJORSLUVELXYGS-UHFFFAOYSA-N 1 2 329.354 2.339 20 30 EEEDLO N#Cc1ccc(N2CCC[N@H+](Cc3c(F)cncc3F)CC2)nc1 ZINC001206863201 1323639232 /nfs/dbraw/zinc/63/92/32/1323639232.db2.gz WJORSLUVELXYGS-UHFFFAOYSA-N 1 2 329.354 2.339 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CC(C)(C)C1 ZINC001316603226 1324169450 /nfs/dbraw/zinc/16/94/50/1324169450.db2.gz BZPSOGIMRHNQPY-HOCLYGCPSA-N 1 2 335.492 2.036 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC1CC(C)(C)C1 ZINC001316603226 1324169453 /nfs/dbraw/zinc/16/94/53/1324169453.db2.gz BZPSOGIMRHNQPY-HOCLYGCPSA-N 1 2 335.492 2.036 20 30 EEEDLO C#Cc1cc(Nc2cnn(C3CN(C(=O)OC(C)(C)C)C3)c2)cc[nH+]1 ZINC001209826774 1325063441 /nfs/dbraw/zinc/06/34/41/1325063441.db2.gz OANPHYVLICUONL-UHFFFAOYSA-N 1 2 339.399 2.217 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001316611405 1325165735 /nfs/dbraw/zinc/16/57/35/1325165735.db2.gz QZHJNGPQAPIXEH-CEXWTWQISA-N 1 2 344.430 2.112 20 30 EEEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001316611405 1325165744 /nfs/dbraw/zinc/16/57/44/1325165744.db2.gz QZHJNGPQAPIXEH-CEXWTWQISA-N 1 2 344.430 2.112 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)CSCC#N)C2)sc1C ZINC001188959580 1368334894 /nfs/dbraw/zinc/33/48/94/1368334894.db2.gz VYEHMAIOLZLNIT-CYBMUJFWSA-N 1 2 338.502 2.049 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)CSCC#N)C2)sc1C ZINC001188959580 1368334902 /nfs/dbraw/zinc/33/49/02/1368334902.db2.gz VYEHMAIOLZLNIT-CYBMUJFWSA-N 1 2 338.502 2.049 20 30 EEEDLO C=C[C@@H](COC)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001320963220 1332988190 /nfs/dbraw/zinc/98/81/90/1332988190.db2.gz RURHDUWROQLXIM-HNNXBMFYSA-N 1 2 332.448 2.309 20 30 EEEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC001609055752 1351825676 /nfs/dbraw/zinc/82/56/76/1351825676.db2.gz TZOOCGISXMYUOO-NSHDSACASA-N 1 2 330.392 2.078 20 30 EEEDLO Cc1ccc(S(=O)(=O)Cc2noc([C@@H]([NH3+])CCCC#N)n2)cc1 ZINC001325927254 1333998020 /nfs/dbraw/zinc/99/80/20/1333998020.db2.gz RUQYJGXDOWVOJU-ZDUSSCGKSA-N 1 2 334.401 2.046 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)CC1CC1 ZINC001338842701 1336918213 /nfs/dbraw/zinc/91/82/13/1336918213.db2.gz YLHPYNPQKAQFTQ-CVEARBPZSA-N 1 2 331.464 2.236 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)CC1CC1 ZINC001338842701 1336918215 /nfs/dbraw/zinc/91/82/15/1336918215.db2.gz YLHPYNPQKAQFTQ-CVEARBPZSA-N 1 2 331.464 2.236 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(CC)Cc1cnn(C)c1 ZINC001338894810 1336928211 /nfs/dbraw/zinc/92/82/11/1336928211.db2.gz BNWLJAOTKCQASQ-MRXNPFEDSA-N 1 2 343.479 2.381 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(CC)Cc1cnn(C)c1 ZINC001338894810 1336928213 /nfs/dbraw/zinc/92/82/13/1336928213.db2.gz BNWLJAOTKCQASQ-MRXNPFEDSA-N 1 2 343.479 2.381 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCc2sccc2C1 ZINC001339211227 1336976134 /nfs/dbraw/zinc/97/61/34/1336976134.db2.gz NPLRPZPJTZDKHW-UHFFFAOYSA-N 1 2 340.456 2.413 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC(CCCO)CC1 ZINC001340296329 1337153890 /nfs/dbraw/zinc/15/38/90/1337153890.db2.gz CETMYMFKFKDCQW-UHFFFAOYSA-N 1 2 347.507 2.439 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@H](CC)C1 ZINC001340448092 1337186671 /nfs/dbraw/zinc/18/66/71/1337186671.db2.gz BZPARWOYNMWMCR-INIZCTEOSA-N 1 2 347.507 2.295 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)C3CCC3)n2CC2CC2)CC1 ZINC001348074009 1337535460 /nfs/dbraw/zinc/53/54/60/1337535460.db2.gz VJODAWHDNXPJFV-HNNXBMFYSA-N 1 2 327.476 2.347 20 30 EEEDLO CCN(CCNC(=O)c1cc(C#N)c[nH]1)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100486737 1338427410 /nfs/dbraw/zinc/42/74/10/1338427410.db2.gz OLDHWMFAGQSYSB-UHFFFAOYSA-N 1 2 340.431 2.365 20 30 EEEDLO N#Cc1cccc(-c2cc(C(=O)N[C@H]3CCn4c[nH+]cc4C3)on2)c1 ZINC001570611289 1343091880 /nfs/dbraw/zinc/09/18/80/1343091880.db2.gz CSEJHKBAHXJOAP-AWEZNQCLSA-N 1 2 333.351 2.155 20 30 EEEDLO C#CC[C@]1(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)CCC[NH2+]1 ZINC001574525960 1343680058 /nfs/dbraw/zinc/68/00/58/1343680058.db2.gz UTRRVQNXPNKTQI-MRXNPFEDSA-N 1 2 329.791 2.209 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001588401701 1348901523 /nfs/dbraw/zinc/90/15/23/1348901523.db2.gz XCJFKTGRQPSWIV-MKBNYLNASA-N 1 2 329.404 2.204 20 30 EEEDLO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC001602823704 1350591899 /nfs/dbraw/zinc/59/18/99/1350591899.db2.gz MBJPREPPMKDZKX-PWSUYJOCSA-N 1 2 330.392 2.054 20 30 EEEDLO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC001602823704 1350591901 /nfs/dbraw/zinc/59/19/01/1350591901.db2.gz MBJPREPPMKDZKX-PWSUYJOCSA-N 1 2 330.392 2.054 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)C[C@H](CC)C(C)C)C2)nn1 ZINC001186028987 1368179733 /nfs/dbraw/zinc/17/97/33/1368179733.db2.gz DFKNFWIXEKAVIV-WMZOPIPTSA-N 1 2 345.491 2.237 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nnc(C)s3)C[C@H]21 ZINC001187737001 1368263712 /nfs/dbraw/zinc/26/37/12/1368263712.db2.gz OVXVLGKQOMMNHH-VHDGCEQUSA-N 1 2 332.473 2.244 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nnc(C)s3)C[C@H]21 ZINC001187737001 1368263720 /nfs/dbraw/zinc/26/37/20/1368263720.db2.gz OVXVLGKQOMMNHH-VHDGCEQUSA-N 1 2 332.473 2.244 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@H]21 ZINC001188909534 1368329717 /nfs/dbraw/zinc/32/97/17/1368329717.db2.gz UGZALIHDJARIGM-XYJFISCASA-N 1 2 345.491 2.494 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@H]21 ZINC001188909534 1368329721 /nfs/dbraw/zinc/32/97/21/1368329721.db2.gz UGZALIHDJARIGM-XYJFISCASA-N 1 2 345.491 2.494 20 30 EEEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCOC1)c1ccccc1OC ZINC001198595280 1368630362 /nfs/dbraw/zinc/63/03/62/1368630362.db2.gz JNAQIGYJSXRBJT-DZGCQCFKSA-N 1 2 338.835 2.231 20 30 EEEDLO COc1ccccc1[C@H](CNC(=O)[C@H](C)C#N)[NH2+]Cc1cncs1 ZINC001198616153 1368632197 /nfs/dbraw/zinc/63/21/97/1368632197.db2.gz FYEVNCZGDGUZOA-DOMZBBRYSA-N 1 2 344.440 2.258 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)Cc1cc[nH]n1)c1ccccc1OC ZINC001198626620 1368634567 /nfs/dbraw/zinc/63/45/67/1368634567.db2.gz GRLKBIUWPBDHKF-HNNXBMFYSA-N 1 2 348.834 2.160 20 30 EEEDLO C=CC[N@H+](CN1C(=O)C[C@](C)(c2ccc(F)cc2)C1=O)[C@H](C)COC ZINC000853533887 1369347481 /nfs/dbraw/zinc/34/74/81/1369347481.db2.gz CUSMCSBQHCKSDW-AUUYWEPGSA-N 1 2 348.418 2.323 20 30 EEEDLO C=CC[N@@H+](CN1C(=O)C[C@](C)(c2ccc(F)cc2)C1=O)[C@H](C)COC ZINC000853533887 1369347485 /nfs/dbraw/zinc/34/74/85/1369347485.db2.gz CUSMCSBQHCKSDW-AUUYWEPGSA-N 1 2 348.418 2.323 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NCC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095354779 1369696747 /nfs/dbraw/zinc/69/67/47/1369696747.db2.gz JHHRHSGUVNPMJR-LJQANCHMSA-N 1 2 346.475 2.062 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc3n1CCCC3)C2 ZINC001111648783 1371199067 /nfs/dbraw/zinc/19/90/67/1371199067.db2.gz NVTOFYAIJOEUHK-KXBFYZLASA-N 1 2 343.475 2.051 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc3n1CCCC3)C2 ZINC001111648783 1371199071 /nfs/dbraw/zinc/19/90/71/1371199071.db2.gz NVTOFYAIJOEUHK-KXBFYZLASA-N 1 2 343.475 2.051 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001122318575 1371962606 /nfs/dbraw/zinc/96/26/06/1371962606.db2.gz RAYOGPROCXALKB-CQSZACIVSA-N 1 2 332.448 2.154 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@H](CO)Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001122500945 1372047415 /nfs/dbraw/zinc/04/74/15/1372047415.db2.gz NTZOVFLVBRMRBT-CQSZACIVSA-N 1 2 332.448 2.154 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001125215357 1372230142 /nfs/dbraw/zinc/23/01/42/1372230142.db2.gz COHJVFMTUKRKOF-MRXNPFEDSA-N 1 2 348.491 2.260 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)C[C@H](O)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001125265345 1372233801 /nfs/dbraw/zinc/23/38/01/1372233801.db2.gz WSTJTDXGJDGHTL-VQIMIIECSA-N 1 2 348.491 2.260 20 30 EEEDLO C[C@H](c1nc(-c2cccs2)no1)[N@@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001366522494 1373934933 /nfs/dbraw/zinc/93/49/33/1373934933.db2.gz YQMHVWPRDIUKEE-WDEREUQCSA-N 1 2 333.417 2.067 20 30 EEEDLO C[C@H](c1nc(-c2cccs2)no1)[N@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001366522494 1373934937 /nfs/dbraw/zinc/93/49/37/1373934937.db2.gz YQMHVWPRDIUKEE-WDEREUQCSA-N 1 2 333.417 2.067 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2coc(C(N)=O)c2)C1 ZINC001366804927 1374029540 /nfs/dbraw/zinc/02/95/40/1374029540.db2.gz JMOMOHSGUJJYFI-ZDUSSCGKSA-N 1 2 339.823 2.058 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2coc(C(N)=O)c2)C1 ZINC001366804927 1374029543 /nfs/dbraw/zinc/02/95/43/1374029543.db2.gz JMOMOHSGUJJYFI-ZDUSSCGKSA-N 1 2 339.823 2.058 20 30 EEEDLO N#Cc1ccc(C[N@H+](CCNC(=O)C[C@H]2CCOC2)C2CC2)c(F)c1 ZINC001372862945 1376252438 /nfs/dbraw/zinc/25/24/38/1376252438.db2.gz OQMJUZZCNSBMJC-OAHLLOKOSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@@H+](CCNC(=O)C[C@H]2CCOC2)C2CC2)c(F)c1 ZINC001372862945 1376252440 /nfs/dbraw/zinc/25/24/40/1376252440.db2.gz OQMJUZZCNSBMJC-OAHLLOKOSA-N 1 2 345.418 2.205 20 30 EEEDLO Cc1cc(CC(=O)N(C)CC[N@H+](C)Cc2cc(C#N)ccc2F)no1 ZINC001374476585 1376852987 /nfs/dbraw/zinc/85/29/87/1376852987.db2.gz LYEUULUYMPPEGG-UHFFFAOYSA-N 1 2 344.390 2.127 20 30 EEEDLO Cc1cc(CC(=O)N(C)CC[N@@H+](C)Cc2cc(C#N)ccc2F)no1 ZINC001374476585 1376852988 /nfs/dbraw/zinc/85/29/88/1376852988.db2.gz LYEUULUYMPPEGG-UHFFFAOYSA-N 1 2 344.390 2.127 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)c1cc(C#N)c[nH]1 ZINC001374478569 1376855673 /nfs/dbraw/zinc/85/56/73/1376855673.db2.gz GDEGXCUCPACPAE-UHFFFAOYSA-N 1 2 339.374 2.101 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)c1cc(C#N)c[nH]1 ZINC001374478569 1376855678 /nfs/dbraw/zinc/85/56/78/1376855678.db2.gz GDEGXCUCPACPAE-UHFFFAOYSA-N 1 2 339.374 2.101 20 30 EEEDLO CCO[C@@H](C)c1nc(C[NH2+]C2(CNC(=O)[C@@H](C)C#N)CC2)cs1 ZINC001375405062 1377700190 /nfs/dbraw/zinc/70/01/90/1377700190.db2.gz SNKAZYYBJGDZTR-RYUDHWBXSA-N 1 2 336.461 2.139 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)CCc2cncnc2)C1 ZINC001376048023 1378257884 /nfs/dbraw/zinc/25/78/84/1378257884.db2.gz GMQKFNKHJLHGLV-IBGZPJMESA-N 1 2 349.438 2.062 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)CCc2cncnc2)C1 ZINC001376048023 1378257893 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ZINC000942546551 782686693 /nfs/dbraw/zinc/68/66/93/782686693.db2.gz WIYDGCBSMBIOFW-ZANVPECISA-N 1 2 341.253 2.067 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2C)[C@@H](C)C1 ZINC000942546551 782686696 /nfs/dbraw/zinc/68/66/96/782686696.db2.gz WIYDGCBSMBIOFW-ZANVPECISA-N 1 2 341.253 2.067 20 30 EEEDLO C[C@@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C/C(Cl)=C\Cl)C1 ZINC001112070944 768842090 /nfs/dbraw/zinc/84/20/90/768842090.db2.gz LKXCRXINZOCDIN-DIBDABESSA-N 1 2 344.164 2.444 20 30 EEEDLO C[C@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]C/C(Cl)=C/Cl)C1 ZINC001112070947 768842747 /nfs/dbraw/zinc/84/27/47/768842747.db2.gz LKXCRXINZOCDIN-YLAYQCGQSA-N 1 2 344.164 2.444 20 30 EEEDLO C#CCC1(C(=O)N[C@H](C)C[C@H](C)Nc2cc[nH+]c(C)n2)CCOCC1 ZINC001089416004 768905481 /nfs/dbraw/zinc/90/54/81/768905481.db2.gz NQGVODSVNKJJRL-LSDHHAIUSA-N 1 2 344.459 2.300 20 30 EEEDLO C#CCOCCC(=O)N1CCCC[C@@H]1CCNc1cc[nH+]c(C)n1 ZINC001105068944 768987516 /nfs/dbraw/zinc/98/75/16/768987516.db2.gz 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C=C(C)C[C@H](C)C(=O)NC[C@H]1CN(c2cc[nH+]c(C)n2)CCCO1 ZINC001089554776 770297493 /nfs/dbraw/zinc/29/74/93/770297493.db2.gz KKECYDPMGMHSGM-HOCLYGCPSA-N 1 2 332.448 2.099 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(c2cc[nH+]c(C)n2)CCCO1 ZINC001089558759 770340014 /nfs/dbraw/zinc/34/00/14/770340014.db2.gz WGJMNNGWKVIRNS-CRAIPNDOSA-N 1 2 332.448 2.099 20 30 EEEDLO CCc1nc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)co1 ZINC001031623936 770409596 /nfs/dbraw/zinc/40/95/96/770409596.db2.gz OAEKPSHDSZCPDX-UHFFFAOYSA-N 1 2 341.386 2.089 20 30 EEEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)COc1ccccc1C#N ZINC000920768637 770858444 /nfs/dbraw/zinc/85/84/44/770858444.db2.gz VKAPADYHBZYFFB-MRXNPFEDSA-N 1 2 326.400 2.365 20 30 EEEDLO CCc1cc2c(C)cc(=O)oc2cc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000840753528 782932058 /nfs/dbraw/zinc/93/20/58/782932058.db2.gz RROXTTHGCVXGIW-HNNXBMFYSA-N 1 2 344.411 2.249 20 30 EEEDLO CCc1cc2c(C)cc(=O)oc2cc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000840753528 782932063 /nfs/dbraw/zinc/93/20/63/782932063.db2.gz RROXTTHGCVXGIW-HNNXBMFYSA-N 1 2 344.411 2.249 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C4CC4)nn3C)[C@@H]2C1 ZINC001075848878 783150787 /nfs/dbraw/zinc/15/07/87/783150787.db2.gz YBHYHRWOZATOLR-XJKSGUPXSA-N 1 2 334.851 2.196 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C4CC4)nn3C)[C@@H]2C1 ZINC001075848878 783150793 /nfs/dbraw/zinc/15/07/93/783150793.db2.gz YBHYHRWOZATOLR-XJKSGUPXSA-N 1 2 334.851 2.196 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1nccn1CC ZINC001027937538 774676492 /nfs/dbraw/zinc/67/64/92/774676492.db2.gz VAYXZDKNGMEORX-INIZCTEOSA-N 1 2 341.459 2.285 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1nccn1CC ZINC001027937538 774676500 /nfs/dbraw/zinc/67/65/00/774676500.db2.gz VAYXZDKNGMEORX-INIZCTEOSA-N 1 2 341.459 2.285 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)c1nc(C)no1 ZINC001027937927 774679225 /nfs/dbraw/zinc/67/92/25/774679225.db2.gz XYAZCSSHPJLGGR-HIFRSBDPSA-N 1 2 343.431 2.321 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)c1nc(C)no1 ZINC001027937927 774679231 /nfs/dbraw/zinc/67/92/31/774679231.db2.gz XYAZCSSHPJLGGR-HIFRSBDPSA-N 1 2 343.431 2.321 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc(C(F)(F)F)nc1 ZINC001027952043 774914861 /nfs/dbraw/zinc/91/48/61/774914861.db2.gz XMOQTJHNUQSUAZ-LLVKDONJSA-N 1 2 348.756 2.442 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc(C(F)(F)F)nc1 ZINC001027952043 774914864 /nfs/dbraw/zinc/91/48/64/774914864.db2.gz XMOQTJHNUQSUAZ-LLVKDONJSA-N 1 2 348.756 2.442 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(CC(F)F)n1 ZINC001027953552 774969614 /nfs/dbraw/zinc/96/96/14/774969614.db2.gz PYBCGWHXPRDSIL-LLVKDONJSA-N 1 2 332.782 2.095 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(CC(F)F)n1 ZINC001027953552 774969619 /nfs/dbraw/zinc/96/96/19/774969619.db2.gz PYBCGWHXPRDSIL-LLVKDONJSA-N 1 2 332.782 2.095 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)c3cccnc3)CC2)c1 ZINC000980627628 775011212 /nfs/dbraw/zinc/01/12/12/775011212.db2.gz JYBFZCZLLVABQT-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)c3cccnc3)CC2)c1 ZINC000980627628 775011221 /nfs/dbraw/zinc/01/12/21/775011221.db2.gz JYBFZCZLLVABQT-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO Cc1nc(N[C@H]2C[C@@H](CNC(=O)[C@@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001091323355 790330563 /nfs/dbraw/zinc/33/05/63/790330563.db2.gz DVTASRABOUEZSA-FPMFFAJLSA-N 1 2 327.432 2.130 20 30 EEEDLO CS[C@H](C)C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000980732887 775370539 /nfs/dbraw/zinc/37/05/39/775370539.db2.gz XQDYEJHRVLRXDX-OAHLLOKOSA-N 1 2 334.460 2.463 20 30 EEEDLO CS[C@H](C)C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000980732887 775370547 /nfs/dbraw/zinc/37/05/47/775370547.db2.gz XQDYEJHRVLRXDX-OAHLLOKOSA-N 1 2 334.460 2.463 20 30 EEEDLO CCO[C@@H]1C[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000980748936 775435116 /nfs/dbraw/zinc/43/51/16/775435116.db2.gz NQDUVFREFBGPKS-JKSUJKDBSA-N 1 2 333.457 2.079 20 30 EEEDLO CCO[C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000980748936 775435120 /nfs/dbraw/zinc/43/51/20/775435120.db2.gz NQDUVFREFBGPKS-JKSUJKDBSA-N 1 2 333.457 2.079 20 30 EEEDLO CCO[C@@H]1C[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000980749202 775439178 /nfs/dbraw/zinc/43/91/78/775439178.db2.gz QTBKKAIOLCHHNF-SJLPKXTDSA-N 1 2 345.418 2.157 20 30 EEEDLO CCO[C@@H]1C[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000980749202 775439182 /nfs/dbraw/zinc/43/91/82/775439182.db2.gz QTBKKAIOLCHHNF-SJLPKXTDSA-N 1 2 345.418 2.157 20 30 EEEDLO CO[C@@H](C)C(=O)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000980785458 775594683 /nfs/dbraw/zinc/59/46/83/775594683.db2.gz GLNYJKQFFDZRCF-HNNXBMFYSA-N 1 2 334.847 2.261 20 30 EEEDLO CO[C@@H](C)C(=O)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000980785458 775594684 /nfs/dbraw/zinc/59/46/84/775594684.db2.gz GLNYJKQFFDZRCF-HNNXBMFYSA-N 1 2 334.847 2.261 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)CC[C@H]2CCOC2)CC1 ZINC000980938425 776118239 /nfs/dbraw/zinc/11/82/39/776118239.db2.gz JQULFNJXOBMJJK-KRWDZBQOSA-N 1 2 341.455 2.409 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)CC[C@H]2CCOC2)CC1 ZINC000980938425 776118245 /nfs/dbraw/zinc/11/82/45/776118245.db2.gz JQULFNJXOBMJJK-KRWDZBQOSA-N 1 2 341.455 2.409 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)c(C)s1 ZINC000980991299 776245310 /nfs/dbraw/zinc/24/53/10/776245310.db2.gz JOQOSTUORZTWSQ-UHFFFAOYSA-N 1 2 343.456 2.308 20 30 EEEDLO Cc1nc(C[N@H+]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)c(C)s1 ZINC000980991299 776245317 /nfs/dbraw/zinc/24/53/17/776245317.db2.gz JOQOSTUORZTWSQ-UHFFFAOYSA-N 1 2 343.456 2.308 20 30 EEEDLO COc1ccc(C[N@@H+]2CCCN(C(=O)C#CC3CC3)CC2)cc1C#N ZINC000981124027 776596383 /nfs/dbraw/zinc/59/63/83/776596383.db2.gz BKCLCVAXGKBFND-UHFFFAOYSA-N 1 2 337.423 2.015 20 30 EEEDLO COc1ccc(C[N@H+]2CCCN(C(=O)C#CC3CC3)CC2)cc1C#N ZINC000981124027 776596386 /nfs/dbraw/zinc/59/63/86/776596386.db2.gz BKCLCVAXGKBFND-UHFFFAOYSA-N 1 2 337.423 2.015 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1onc2c1CCCC2 ZINC001031846050 777274459 /nfs/dbraw/zinc/27/44/59/777274459.db2.gz HWEMXCNHITZZHP-UHFFFAOYSA-N 1 2 349.434 2.267 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccncc1Cl ZINC001028142188 778382182 /nfs/dbraw/zinc/38/21/82/778382182.db2.gz FOJVGHDBSUNTIO-INMHGKMJSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccncc1Cl ZINC001028142188 778382190 /nfs/dbraw/zinc/38/21/90/778382190.db2.gz FOJVGHDBSUNTIO-INMHGKMJSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1nn(C)c(C)c1Cl ZINC001028172946 778681224 /nfs/dbraw/zinc/68/12/24/778681224.db2.gz FDJWUTVULFFAMC-LLVKDONJSA-N 1 2 331.247 2.329 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nn(C)c(C)c1Cl ZINC001028172946 778681228 /nfs/dbraw/zinc/68/12/28/778681228.db2.gz FDJWUTVULFFAMC-LLVKDONJSA-N 1 2 331.247 2.329 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000940596347 778968617 /nfs/dbraw/zinc/96/86/17/778968617.db2.gz CXMUGUNCDWVACB-OAHLLOKOSA-N 1 2 340.427 2.186 20 30 EEEDLO Cc1cnoc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001028238182 779509243 /nfs/dbraw/zinc/50/92/43/779509243.db2.gz IIZRVKLTXBVMAO-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cnoc1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001028238182 779509247 /nfs/dbraw/zinc/50/92/47/779509247.db2.gz IIZRVKLTXBVMAO-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-n2ccnc2)ccn1 ZINC001028242561 779594207 /nfs/dbraw/zinc/59/42/07/779594207.db2.gz HWCPHGFMPYVMHP-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(-n2ccnc2)ccn1 ZINC001028242561 779594209 /nfs/dbraw/zinc/59/42/09/779594209.db2.gz HWCPHGFMPYVMHP-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ncc(C)s2)nc1 ZINC001028270130 779831176 /nfs/dbraw/zinc/83/11/76/779831176.db2.gz YGXVURILDGNZAF-HNNXBMFYSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ncc(C)s2)nc1 ZINC001028270130 779831187 /nfs/dbraw/zinc/83/11/87/779831187.db2.gz YGXVURILDGNZAF-HNNXBMFYSA-N 1 2 340.452 2.222 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000941180017 780057008 /nfs/dbraw/zinc/05/70/08/780057008.db2.gz SKLVSWFAMUJNEV-KXBFYZLASA-N 1 2 346.475 2.252 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000941180017 780057012 /nfs/dbraw/zinc/05/70/12/780057012.db2.gz SKLVSWFAMUJNEV-KXBFYZLASA-N 1 2 346.475 2.252 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(cn1)OCCC2 ZINC001028290345 780378645 /nfs/dbraw/zinc/37/86/45/780378645.db2.gz KEMYSAUWZHVAHV-AWEZNQCLSA-N 1 2 335.835 2.353 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc2c(cn1)OCCC2 ZINC001028290345 780378653 /nfs/dbraw/zinc/37/86/53/780378653.db2.gz KEMYSAUWZHVAHV-AWEZNQCLSA-N 1 2 335.835 2.353 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000941386068 780439854 /nfs/dbraw/zinc/43/98/54/780439854.db2.gz BCMMYEWLLSRQGW-CQSZACIVSA-N 1 2 338.411 2.250 20 30 EEEDLO Cc1cc(N(C)CCN(C)C(=O)c2ccc(C#N)[nH]2)nc(C(C)C)[nH+]1 ZINC001105369984 780928684 /nfs/dbraw/zinc/92/86/84/780928684.db2.gz NNKTUQBXDQYVIO-UHFFFAOYSA-N 1 2 340.431 2.317 20 30 EEEDLO Cc1nc(N[C@H]2C[C@H](CNC(=O)[C@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001091444482 790873778 /nfs/dbraw/zinc/87/37/78/790873778.db2.gz DVTASRABOUEZSA-MRVWCRGKSA-N 1 2 327.432 2.130 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1nc(C)c(C)o1 ZINC001087545639 781792996 /nfs/dbraw/zinc/79/29/96/781792996.db2.gz UWKJODLGHBRFKQ-GOEBONIOSA-N 1 2 341.415 2.274 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1nc(C)c(C)o1 ZINC001087545639 781793001 /nfs/dbraw/zinc/79/30/01/781793001.db2.gz UWKJODLGHBRFKQ-GOEBONIOSA-N 1 2 341.415 2.274 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)OCc2ccc(C)cc2)C1 ZINC001108102025 783345265 /nfs/dbraw/zinc/34/52/65/783345265.db2.gz YATPZRSUAWCBMF-YLJYHZDGSA-N 1 2 346.471 2.293 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)OCc2ccc(C)cc2)C1 ZINC001108102025 783345272 /nfs/dbraw/zinc/34/52/72/783345272.db2.gz YATPZRSUAWCBMF-YLJYHZDGSA-N 1 2 346.471 2.293 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NCC[NH2+]Cc1nc(C(C)C)ns1 ZINC001131869311 783397080 /nfs/dbraw/zinc/39/70/80/783397080.db2.gz CRXQDERWBBDRKR-INIZCTEOSA-N 1 2 340.493 2.096 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC001131945761 783507761 /nfs/dbraw/zinc/50/77/61/783507761.db2.gz AFFKUEUSBMIECH-DOMZBBRYSA-N 1 2 337.489 2.432 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nc(C)c(C)s2)C1 ZINC001131945761 783507768 /nfs/dbraw/zinc/50/77/68/783507768.db2.gz AFFKUEUSBMIECH-DOMZBBRYSA-N 1 2 337.489 2.432 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001131976067 783539115 /nfs/dbraw/zinc/53/91/15/783539115.db2.gz HENRSCKYUPTBTE-IRXDYDNUSA-N 1 2 342.487 2.492 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001131976067 783539121 /nfs/dbraw/zinc/53/91/21/783539121.db2.gz HENRSCKYUPTBTE-IRXDYDNUSA-N 1 2 342.487 2.492 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](C)OCC3CC3)CC2)C1 ZINC001105696912 783849520 /nfs/dbraw/zinc/84/95/20/783849520.db2.gz HKFYZJARQYSOFV-HNNXBMFYSA-N 1 2 336.476 2.069 20 30 EEEDLO C=CCCC(=O)N1CCC(OC2C[NH+](CCOCCCC)C2)CC1 ZINC001105697541 784388979 /nfs/dbraw/zinc/38/89/79/784388979.db2.gz ZZKWXVLKJXTMMF-UHFFFAOYSA-N 1 2 338.492 2.461 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2nccc3ccsc32)C1 ZINC001035412765 784488594 /nfs/dbraw/zinc/48/85/94/784488594.db2.gz SQNWEZNEWXUDRP-AWEZNQCLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2nccc3ccsc32)C1 ZINC001035412765 784488603 /nfs/dbraw/zinc/48/86/03/784488603.db2.gz SQNWEZNEWXUDRP-AWEZNQCLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001035456895 784507009 /nfs/dbraw/zinc/50/70/09/784507009.db2.gz VLMFEMSZHLKEEB-FUHWJXTLSA-N 1 2 332.419 2.249 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001035456895 784507014 /nfs/dbraw/zinc/50/70/14/784507014.db2.gz VLMFEMSZHLKEEB-FUHWJXTLSA-N 1 2 332.419 2.249 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2O[C@@H](C)CC)C1 ZINC001035524105 784669263 /nfs/dbraw/zinc/66/92/63/784669263.db2.gz ZVKZHMBQXVKLSK-DLBZAZTESA-N 1 2 344.455 2.318 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccccc2O[C@@H](C)CC)C1 ZINC001035524105 784669267 /nfs/dbraw/zinc/66/92/67/784669267.db2.gz ZVKZHMBQXVKLSK-DLBZAZTESA-N 1 2 344.455 2.318 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001035530115 784682361 /nfs/dbraw/zinc/68/23/61/784682361.db2.gz HZWUVMNYKHQNLH-QGZVFWFLSA-N 1 2 332.444 2.400 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001035530115 784682367 /nfs/dbraw/zinc/68/23/67/784682367.db2.gz HZWUVMNYKHQNLH-QGZVFWFLSA-N 1 2 332.444 2.400 20 30 EEEDLO C#CCC[NH+]1CC2(C1)CCN(C(=O)c1cccc(-c3nnc[nH]3)c1)CC2 ZINC001035764250 785081887 /nfs/dbraw/zinc/08/18/87/785081887.db2.gz JVQQDTWDBXOZHU-UHFFFAOYSA-N 1 2 349.438 2.033 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC2(C[NH+](Cc3cc(OC)no3)C2)CC1 ZINC001035767830 785087984 /nfs/dbraw/zinc/08/79/84/785087984.db2.gz ULFHOEMDUIMQSE-UHFFFAOYSA-N 1 2 333.432 2.320 20 30 EEEDLO C=CCCCC(=O)NCc1cn(C2C[NH+](Cc3ccccc3)C2)nn1 ZINC001107200058 786370922 /nfs/dbraw/zinc/37/09/22/786370922.db2.gz VSFJWWYFNHTYFX-UHFFFAOYSA-N 1 2 339.443 2.308 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](F)c3ccccc3)nn2)C1 ZINC001107214359 786445282 /nfs/dbraw/zinc/44/52/82/786445282.db2.gz SEPJEGJKJMJOEI-QGZVFWFLSA-N 1 2 343.406 2.038 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](CCC)C(C)C)nn2)C1 ZINC001107215369 786454692 /nfs/dbraw/zinc/45/46/92/786454692.db2.gz DZICLTGAZTZMEK-QGZVFWFLSA-N 1 2 333.480 2.399 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@@H](CC)C(C)C)nn2)C1 ZINC001107230548 786528478 /nfs/dbraw/zinc/52/84/78/786528478.db2.gz MXGDWDDTNMQFHC-OAHLLOKOSA-N 1 2 333.480 2.399 20 30 EEEDLO CN(C)c1[nH+]cc(/C=C2/S/C(=N/C3CCCCC3)NC2=O)n1C ZINC000821031297 786566117 /nfs/dbraw/zinc/56/61/17/786566117.db2.gz HSBHLBUUAYCHMD-UKTHLTGXSA-N 1 2 333.461 2.379 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)CCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001109582603 805712975 /nfs/dbraw/zinc/71/29/75/805712975.db2.gz DKXYRGJNJKAFFN-AWEZNQCLSA-N 1 2 334.468 2.109 20 30 EEEDLO C#CCCCCCC(=O)N(C)CCCNc1[nH+]cnc2c1cnn2C ZINC001109584920 805715678 /nfs/dbraw/zinc/71/56/78/805715678.db2.gz IQXVIQDEMMAHIY-UHFFFAOYSA-N 1 2 342.447 2.207 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)(C)C ZINC001109597604 805739952 /nfs/dbraw/zinc/73/99/52/805739952.db2.gz QRBPROIBNFIILF-PMPSAXMXSA-N 1 2 349.519 2.473 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)(C)C ZINC001109597604 805739961 /nfs/dbraw/zinc/73/99/61/805739961.db2.gz QRBPROIBNFIILF-PMPSAXMXSA-N 1 2 349.519 2.473 20 30 EEEDLO C#CCOCCC(=O)NC/C=C/CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001107344277 786950935 /nfs/dbraw/zinc/95/09/35/786950935.db2.gz KZQJOLSRYWOFDX-VOTSOKGWSA-N 1 2 330.432 2.033 20 30 EEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000822451383 787211991 /nfs/dbraw/zinc/21/19/91/787211991.db2.gz LBTCGUZLQXDHFD-RBSFLKMASA-N 1 2 346.431 2.208 20 30 EEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000822451383 787211998 /nfs/dbraw/zinc/21/19/98/787211998.db2.gz LBTCGUZLQXDHFD-RBSFLKMASA-N 1 2 346.431 2.208 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001062325165 787893243 /nfs/dbraw/zinc/89/32/43/787893243.db2.gz BLDPTSIGVDPKBM-KDOFPFPSSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001090733442 787939579 /nfs/dbraw/zinc/93/95/79/787939579.db2.gz NQTIELUPINOCIL-CZUORRHYSA-N 1 2 344.459 2.196 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[C@H]2CCOC2)s1 ZINC001032345523 788080761 /nfs/dbraw/zinc/08/07/61/788080761.db2.gz BIDBYTBMYMINML-KKUMJFAQSA-N 1 2 345.468 2.222 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[C@H]2CCOC2)s1 ZINC001032345523 788080765 /nfs/dbraw/zinc/08/07/65/788080765.db2.gz BIDBYTBMYMINML-KKUMJFAQSA-N 1 2 345.468 2.222 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C)[nH+]c(CC)n2)C1 ZINC001062577440 788234913 /nfs/dbraw/zinc/23/49/13/788234913.db2.gz ADCRTROXZGHNQD-GJZGRUSLSA-N 1 2 326.444 2.493 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCC1 ZINC001109683295 805871874 /nfs/dbraw/zinc/87/18/74/805871874.db2.gz FWZIWWGJJGRKIN-NHAYFPRASA-N 1 2 347.503 2.369 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCC1 ZINC001109683295 805871881 /nfs/dbraw/zinc/87/18/81/805871881.db2.gz FWZIWWGJJGRKIN-NHAYFPRASA-N 1 2 347.503 2.369 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3cnccc32)[C@@H](O)C1 ZINC001090816042 788414348 /nfs/dbraw/zinc/41/43/48/788414348.db2.gz ONJCPZIKEOWFMY-IRXDYDNUSA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3cnccc32)[C@@H](O)C1 ZINC001090816042 788414357 /nfs/dbraw/zinc/41/43/57/788414357.db2.gz ONJCPZIKEOWFMY-IRXDYDNUSA-N 1 2 345.830 2.152 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001060783581 788462013 /nfs/dbraw/zinc/46/20/13/788462013.db2.gz KDLASBKPHKZMNE-YYIAUSFCSA-N 1 2 346.475 2.133 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2coc3ccccc23)[C@@H](O)C1 ZINC001090852716 788551241 /nfs/dbraw/zinc/55/12/41/788551241.db2.gz UIWYTOYTYZWOCG-CABCVRRESA-N 1 2 334.803 2.350 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2coc3ccccc23)[C@@H](O)C1 ZINC001090852716 788551249 /nfs/dbraw/zinc/55/12/49/788551249.db2.gz UIWYTOYTYZWOCG-CABCVRRESA-N 1 2 334.803 2.350 20 30 EEEDLO C[C@@H](C#N)C(=O)NC[C@@]1(C)C[N@H+](CCCCC(F)(F)F)CCO1 ZINC001107822008 788581703 /nfs/dbraw/zinc/58/17/03/788581703.db2.gz ZIZZVSQZRWMIAA-JSGCOSHPSA-N 1 2 335.370 2.086 20 30 EEEDLO C[C@@H](C#N)C(=O)NC[C@@]1(C)C[N@@H+](CCCCC(F)(F)F)CCO1 ZINC001107822008 788581709 /nfs/dbraw/zinc/58/17/09/788581709.db2.gz ZIZZVSQZRWMIAA-JSGCOSHPSA-N 1 2 335.370 2.086 20 30 EEEDLO C=C(Br)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)COC ZINC001098834074 788606481 /nfs/dbraw/zinc/60/64/81/788606481.db2.gz ZQTIBQRWVBJLSI-LBPRGKRZSA-N 1 2 333.270 2.148 20 30 EEEDLO C=C(Br)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)COC ZINC001098834074 788606486 /nfs/dbraw/zinc/60/64/86/788606486.db2.gz ZQTIBQRWVBJLSI-LBPRGKRZSA-N 1 2 333.270 2.148 20 30 EEEDLO COc1ccc(C)cc1NC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000029464269 788678789 /nfs/dbraw/zinc/67/87/89/788678789.db2.gz LRVHPDOSWDDNJN-UHFFFAOYSA-N 1 2 331.347 2.418 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)CNc2cc(C)[nH+]c(C3CC3)n2)nc1 ZINC001107857961 788841355 /nfs/dbraw/zinc/84/13/55/788841355.db2.gz BJEZYHUKLHVTAK-CYBMUJFWSA-N 1 2 335.411 2.269 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060795234 788962308 /nfs/dbraw/zinc/96/23/08/788962308.db2.gz IFWGMIPZCOUMLK-SHTZXODSSA-N 1 2 346.475 2.346 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212146255 789106181 /nfs/dbraw/zinc/10/61/81/789106181.db2.gz NERRLHZAVMRWAP-IAGOWNOFSA-N 1 2 345.468 2.129 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212146255 789106186 /nfs/dbraw/zinc/10/61/86/789106186.db2.gz NERRLHZAVMRWAP-IAGOWNOFSA-N 1 2 345.468 2.129 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001060264869 789226408 /nfs/dbraw/zinc/22/64/08/789226408.db2.gz BQEXCGKUEYQDGF-HNNXBMFYSA-N 1 2 332.448 2.053 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001060264869 789226410 /nfs/dbraw/zinc/22/64/10/789226410.db2.gz BQEXCGKUEYQDGF-HNNXBMFYSA-N 1 2 332.448 2.053 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091012288 789410767 /nfs/dbraw/zinc/41/07/67/789410767.db2.gz YLMXFFILDHWTHY-SIIHOXLZSA-N 1 2 332.448 2.273 20 30 EEEDLO C[C@H](CC(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1)n1cc[nH+]c1 ZINC000845279492 789707558 /nfs/dbraw/zinc/70/75/58/789707558.db2.gz NPVBOEAZAYKCBG-OLZOCXBDSA-N 1 2 326.356 2.276 20 30 EEEDLO C[C@@H](CC(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O)n1cc[nH+]c1 ZINC000845279719 789708435 /nfs/dbraw/zinc/70/84/35/789708435.db2.gz YKOUYASZIHVSNC-BBRMVZONSA-N 1 2 338.367 2.055 20 30 EEEDLO Cc1noc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)c1C ZINC001032466237 789860807 /nfs/dbraw/zinc/86/08/07/789860807.db2.gz OXEJUNGYTHHXKM-IRXDYDNUSA-N 1 2 336.395 2.262 20 30 EEEDLO Cc1noc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)c1C ZINC001032466237 789860814 /nfs/dbraw/zinc/86/08/14/789860814.db2.gz OXEJUNGYTHHXKM-IRXDYDNUSA-N 1 2 336.395 2.262 20 30 EEEDLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCN(c2ncccc2C#N)C1 ZINC001063066445 790171484 /nfs/dbraw/zinc/17/14/84/790171484.db2.gz OECFUGOLPDAYEM-OAHLLOKOSA-N 1 2 346.394 2.180 20 30 EEEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)Nc1cccc(F)c1)C2 ZINC001147188354 791731388 /nfs/dbraw/zinc/73/13/88/791731388.db2.gz XSQHMFPMCWJIRX-UHFFFAOYSA-N 1 2 345.418 2.265 20 30 EEEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](CC(=O)Nc1cccc(F)c1)C2 ZINC001147188354 791731392 /nfs/dbraw/zinc/73/13/92/791731392.db2.gz XSQHMFPMCWJIRX-UHFFFAOYSA-N 1 2 345.418 2.265 20 30 EEEDLO C=CCOc1cccnc1C(=O)NCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC001147290596 791783688 /nfs/dbraw/zinc/78/36/88/791783688.db2.gz LIZOFZKAMMHDRC-ZDUSSCGKSA-N 1 2 330.388 2.023 20 30 EEEDLO Cc1cc(C(N)=[NH+]OCC(=O)NCc2ccccc2F)ccc1F ZINC000063457682 791860379 /nfs/dbraw/zinc/86/03/79/791860379.db2.gz BZSSQLJGZOOSPO-UHFFFAOYSA-N 1 2 333.338 2.227 20 30 EEEDLO Cc1nc(N[C@@H](C)[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)cc[nH+]1 ZINC001063882576 791879322 /nfs/dbraw/zinc/87/93/22/791879322.db2.gz IXQNICGQUAPZAA-SWLSCSKDSA-N 1 2 338.415 2.338 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](N(CC)C(=O)c2[nH]nnc2C)CC1 ZINC000998079343 791924459 /nfs/dbraw/zinc/92/44/59/791924459.db2.gz GPAMNGKLWLUHMI-CYBMUJFWSA-N 1 2 325.844 2.182 20 30 EEEDLO Cc1nnc([C@H](C)[N@@H+]2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)s1 ZINC001091659505 791946369 /nfs/dbraw/zinc/94/63/69/791946369.db2.gz LSJDSWVHJTYLOB-PNPHSEOMSA-N 1 2 344.484 2.101 20 30 EEEDLO Cc1nnc([C@H](C)[N@H+]2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)s1 ZINC001091659505 791946373 /nfs/dbraw/zinc/94/63/73/791946373.db2.gz LSJDSWVHJTYLOB-PNPHSEOMSA-N 1 2 344.484 2.101 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC2(CN(C(=O)CCCF)C2)C1 ZINC001148070368 792133831 /nfs/dbraw/zinc/13/38/31/792133831.db2.gz BVZQEUKAZSVTQU-UHFFFAOYSA-N 1 2 333.382 2.481 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC2(CN(C(=O)CCCF)C2)C1 ZINC001148070368 792133841 /nfs/dbraw/zinc/13/38/41/792133841.db2.gz BVZQEUKAZSVTQU-UHFFFAOYSA-N 1 2 333.382 2.481 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nc(C)no1)C2 ZINC001148096233 792146677 /nfs/dbraw/zinc/14/66/77/792146677.db2.gz YCFFHVRRQYSAOT-CQSZACIVSA-N 1 2 330.432 2.167 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nc(C)no1)C2 ZINC001148096233 792146681 /nfs/dbraw/zinc/14/66/81/792146681.db2.gz YCFFHVRRQYSAOT-CQSZACIVSA-N 1 2 330.432 2.167 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1cn(C(C)C)nn1)C2 ZINC001148087407 792171747 /nfs/dbraw/zinc/17/17/47/792171747.db2.gz CRPQXGKPPFYYEH-JKSUJKDBSA-N 1 2 345.491 2.352 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1cn(C(C)C)nn1)C2 ZINC001148087407 792171750 /nfs/dbraw/zinc/17/17/50/792171750.db2.gz CRPQXGKPPFYYEH-JKSUJKDBSA-N 1 2 345.491 2.352 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001064099961 792395331 /nfs/dbraw/zinc/39/53/31/792395331.db2.gz USXVFYPBKFRYJN-BBRMVZONSA-N 1 2 341.390 2.291 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2CNc2cc[nH+]c(C)n2)cn1 ZINC001064106165 792414291 /nfs/dbraw/zinc/41/42/91/792414291.db2.gz PSXQLYIQUSFSJR-PBHICJAKSA-N 1 2 335.411 2.172 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001064107403 792418309 /nfs/dbraw/zinc/41/83/09/792418309.db2.gz KTNRQCDUOQZJBU-CABCVRRESA-N 1 2 346.475 2.346 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC1(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001064107403 792418318 /nfs/dbraw/zinc/41/83/18/792418318.db2.gz KTNRQCDUOQZJBU-CABCVRRESA-N 1 2 346.475 2.346 20 30 EEEDLO C=CCCCC(=O)NCC1(NC(=O)C[C@H](C)n2cc[nH+]c2)CCC1 ZINC001064276736 792794102 /nfs/dbraw/zinc/79/41/02/792794102.db2.gz IPAPPQLMGOYZEA-HNNXBMFYSA-N 1 2 332.448 2.346 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2Cl)CCCO1 ZINC001149330615 792854791 /nfs/dbraw/zinc/85/47/91/792854791.db2.gz LXNCMDBAUCZEOX-OAHLLOKOSA-N 1 2 337.851 2.408 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2Cl)CCCO1 ZINC001149330615 792854797 /nfs/dbraw/zinc/85/47/97/792854797.db2.gz LXNCMDBAUCZEOX-OAHLLOKOSA-N 1 2 337.851 2.408 20 30 EEEDLO C=C1CC(C)(C(=O)NCC2(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC2)C1 ZINC001064459692 793167201 /nfs/dbraw/zinc/16/72/01/793167201.db2.gz QDVSQXSKHIHTEX-AWEZNQCLSA-N 1 2 344.459 2.100 20 30 EEEDLO C=C1CC(C)(C(=O)NCC2(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC2)C1 ZINC001064459692 793167207 /nfs/dbraw/zinc/16/72/07/793167207.db2.gz QDVSQXSKHIHTEX-AWEZNQCLSA-N 1 2 344.459 2.100 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001091775594 793248407 /nfs/dbraw/zinc/24/84/07/793248407.db2.gz XHPLPFDLKLQWKZ-BYCMXARLSA-N 1 2 327.432 2.296 20 30 EEEDLO Cc1nc(N2CCC[C@@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)c(C)c(C)[nH+]1 ZINC001064557569 793345480 /nfs/dbraw/zinc/34/54/80/793345480.db2.gz MWHFHMMTRNTVRG-BFUOFWGJSA-N 1 2 341.459 2.380 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C)n3CC)C[C@@]2(C)C1 ZINC001091916134 793402324 /nfs/dbraw/zinc/40/23/24/793402324.db2.gz BUOGBCNVWKWTJA-BEFAXECRSA-N 1 2 345.491 2.099 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C)n3CC)C[C@@]2(C)C1 ZINC001091916134 793402327 /nfs/dbraw/zinc/40/23/27/793402327.db2.gz BUOGBCNVWKWTJA-BEFAXECRSA-N 1 2 345.491 2.099 20 30 EEEDLO C=C1CCC(C(=O)NC2C[NH+](C[C@H](O)Cc3ccccc3)C2)CC1 ZINC001030900542 793705592 /nfs/dbraw/zinc/70/55/92/793705592.db2.gz TUDHIBMWQKMOHH-LJQANCHMSA-N 1 2 328.456 2.137 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CN(c3cc[nH+]c(C)n3)C[C@@]2(C)C1 ZINC001092281802 793797685 /nfs/dbraw/zinc/79/76/85/793797685.db2.gz OHHBRBWUALFXNX-OGWOLHLISA-N 1 2 344.459 2.051 20 30 EEEDLO CCCCc1noc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC000999117116 793830179 /nfs/dbraw/zinc/83/01/79/793830179.db2.gz KHIVUXRQARJHOD-GOEBONIOSA-N 1 2 344.459 2.467 20 30 EEEDLO C[C@H]1C[C@H](Nc2ccc(C#N)cn2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001064836752 793862091 /nfs/dbraw/zinc/86/20/91/793862091.db2.gz TWLNEFGXVABXMM-DZGCQCFKSA-N 1 2 338.415 2.101 20 30 EEEDLO C[C@H]1C[C@H](Nc2ccc(C#N)cn2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001064836752 793862098 /nfs/dbraw/zinc/86/20/98/793862098.db2.gz TWLNEFGXVABXMM-DZGCQCFKSA-N 1 2 338.415 2.101 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]21 ZINC001090320183 793867281 /nfs/dbraw/zinc/86/72/81/793867281.db2.gz BJVHDJDPWBBCLG-HYVNUMGLSA-N 1 2 344.459 2.030 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1C(C)(C)C)c1nccn12 ZINC001092381338 793875899 /nfs/dbraw/zinc/87/58/99/793875899.db2.gz UAWDIZYZDORPNT-BZUAXINKSA-N 1 2 340.471 2.161 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@]1(C)C[C@H]3C[C@H]3C1)c1nccn12 ZINC001092381571 793877344 /nfs/dbraw/zinc/87/73/44/793877344.db2.gz WDHSUPFPFNDIOH-KRXQYRFLSA-N 1 2 326.444 2.077 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3occc3[nH]1)c1nccn12 ZINC001092372061 793915683 /nfs/dbraw/zinc/91/56/83/793915683.db2.gz GIFJTPFKRIIQNK-AWEZNQCLSA-N 1 2 337.383 2.029 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1conc1C(C)C)c1nccn12 ZINC001092375940 793919031 /nfs/dbraw/zinc/91/90/31/793919031.db2.gz ZENORCKZTSLHOH-CQSZACIVSA-N 1 2 341.415 2.066 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)c(CC)o1)c1nccn12 ZINC001092407541 793955640 /nfs/dbraw/zinc/95/56/40/793955640.db2.gz NKBMNSZIGZKQIF-CQSZACIVSA-N 1 2 340.427 2.419 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001109954640 806287844 /nfs/dbraw/zinc/28/78/44/806287844.db2.gz UTTKYQVRRXCQNY-KRWDZBQOSA-N 1 2 341.390 2.291 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(F)s1)c1nccn12 ZINC001092412890 793962428 /nfs/dbraw/zinc/96/24/28/793962428.db2.gz AIMSMUXYMFIUBY-LLVKDONJSA-N 1 2 332.404 2.155 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC3CCC1CC3)c1nccn12 ZINC001092412399 793962469 /nfs/dbraw/zinc/96/24/69/793962469.db2.gz DPLPVUPEOUARMZ-SJJHQCBESA-N 1 2 340.471 2.467 20 30 EEEDLO C#Cc1cncc(C(=O)NC2C[NH+](CCCc3ccsc3)C2)c1 ZINC001030928270 793969189 /nfs/dbraw/zinc/96/91/89/793969189.db2.gz LNLFMYWXOBFCIL-UHFFFAOYSA-N 1 2 325.437 2.171 20 30 EEEDLO Cc1nc(N2C[C@@H](C)[C@H](CCNC(=O)C#CC(C)(C)C)C2)cc[nH+]1 ZINC001092513778 794050543 /nfs/dbraw/zinc/05/05/43/794050543.db2.gz WYVJDHQKFZWRLL-GDBMZVCRSA-N 1 2 328.460 2.413 20 30 EEEDLO Cc1nc(N2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)c(C)c(C)[nH+]1 ZINC001093084644 794595059 /nfs/dbraw/zinc/59/50/59/794595059.db2.gz RISSAPSACWPGAD-PXNSSMCTSA-N 1 2 338.455 2.290 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C2 ZINC001110004233 806362934 /nfs/dbraw/zinc/36/29/34/806362934.db2.gz CVAOLQNZZGJIOY-UGUYLWEFSA-N 1 2 341.883 2.011 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C2 ZINC001110004233 806362944 /nfs/dbraw/zinc/36/29/44/806362944.db2.gz CVAOLQNZZGJIOY-UGUYLWEFSA-N 1 2 341.883 2.011 20 30 EEEDLO C=CCCC(=O)N[C@@H]1[C@H]2CN(c3nc(C)[nH+]c4c3CCCC4)C[C@H]21 ZINC001093225420 794879974 /nfs/dbraw/zinc/87/99/74/794879974.db2.gz GUTYDLKHZIMJIJ-HWWDLCQESA-N 1 2 326.444 2.181 20 30 EEEDLO C[C@@H](C[C@H](C)Nc1ncccc1C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001089306976 795157285 /nfs/dbraw/zinc/15/72/85/795157285.db2.gz UJIKVNNGCUCCNV-STQMWFEESA-N 1 2 326.404 2.004 20 30 EEEDLO N#Cc1ccc(NC2(CNC(=O)Cn3cc[nH+]c3)CCCCC2)cn1 ZINC001093395192 795166732 /nfs/dbraw/zinc/16/67/32/795166732.db2.gz AVAZHSXRFWKLFM-UHFFFAOYSA-N 1 2 338.415 2.081 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001079747435 795190131 /nfs/dbraw/zinc/19/01/31/795190131.db2.gz JQTLSTSGUFTFFT-IUODEOHRSA-N 1 2 348.834 2.327 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001079747435 795190134 /nfs/dbraw/zinc/19/01/34/795190134.db2.gz JQTLSTSGUFTFFT-IUODEOHRSA-N 1 2 348.834 2.327 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1ccns1 ZINC001079790812 795198330 /nfs/dbraw/zinc/19/83/30/795198330.db2.gz APFLMPOPPUWSGU-IAQYHMDHSA-N 1 2 344.415 2.404 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1ccns1 ZINC001079790812 795198332 /nfs/dbraw/zinc/19/83/32/795198332.db2.gz APFLMPOPPUWSGU-IAQYHMDHSA-N 1 2 344.415 2.404 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3ccc(F)nc3)CC2)C1 ZINC001093517810 795303717 /nfs/dbraw/zinc/30/37/17/795303717.db2.gz ZGBHGPZIWXQTPN-UHFFFAOYSA-N 1 2 333.407 2.102 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCO[C@@H]3C)CC2)C1 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/nfs/dbraw/zinc/78/07/90/796780790.db2.gz LYMWDNJGQKPVKO-NXOUGTEYSA-N 1 2 345.418 2.059 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H](C)C1CC1 ZINC001081500179 796780792 /nfs/dbraw/zinc/78/07/92/796780792.db2.gz LYMWDNJGQKPVKO-NXOUGTEYSA-N 1 2 345.418 2.059 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cnco2)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000993640582 796863388 /nfs/dbraw/zinc/86/33/88/796863388.db2.gz IALYWOUPGIEBAP-WBMJQRKESA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cnco2)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000993640582 796863392 /nfs/dbraw/zinc/86/33/92/796863392.db2.gz IALYWOUPGIEBAP-WBMJQRKESA-N 1 2 342.374 2.468 20 30 EEEDLO C=CCOC[C@H]1C[N@@H+]([C@@H]2COC(C)(C)C2)Cc2nnn(CC3CC3)c21 ZINC001172285607 796959217 /nfs/dbraw/zinc/95/92/17/796959217.db2.gz RPHOSHMTBCOVFY-CVEARBPZSA-N 1 2 346.475 2.357 20 30 EEEDLO C=CCOC[C@H]1C[N@H+]([C@@H]2COC(C)(C)C2)Cc2nnn(CC3CC3)c21 ZINC001172285607 796959220 /nfs/dbraw/zinc/95/92/20/796959220.db2.gz RPHOSHMTBCOVFY-CVEARBPZSA-N 1 2 346.475 2.357 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2nccn3ccnc23)[C@@H]1C ZINC000993854249 797089768 /nfs/dbraw/zinc/08/97/68/797089768.db2.gz KVCVBXLATWTKGR-QWHCGFSZSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2nccn3ccnc23)[C@@H]1C ZINC000993854249 797089775 /nfs/dbraw/zinc/08/97/75/797089775.db2.gz KVCVBXLATWTKGR-QWHCGFSZSA-N 1 2 333.823 2.065 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001061019639 797143262 /nfs/dbraw/zinc/14/32/62/797143262.db2.gz PWASPBDYRLZXDI-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)[C@H]2C)n1 ZINC000993947863 797186266 /nfs/dbraw/zinc/18/62/66/797186266.db2.gz BCLRZVGRBDBLDD-WMLDXEAASA-N 1 2 337.427 2.373 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)[C@H]2C)n1 ZINC000993947863 797186272 /nfs/dbraw/zinc/18/62/72/797186272.db2.gz BCLRZVGRBDBLDD-WMLDXEAASA-N 1 2 337.427 2.373 20 30 EEEDLO 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ZINC001084344794 798159330 /nfs/dbraw/zinc/15/93/30/798159330.db2.gz GYWMQBARESTOJU-BFHYXJOUSA-N 1 2 333.457 2.020 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001061096700 798165383 /nfs/dbraw/zinc/16/53/83/798165383.db2.gz ZVXWWLILXFDHLJ-OAHLLOKOSA-N 1 2 344.459 2.006 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C4CC4)nn3C)[C@@H]2C1 ZINC001084383427 798179849 /nfs/dbraw/zinc/17/98/49/798179849.db2.gz HTKZVAYMUNQMCK-CZUORRHYSA-N 1 2 334.851 2.196 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C4CC4)nn3C)[C@@H]2C1 ZINC001084383427 798179853 /nfs/dbraw/zinc/17/98/53/798179853.db2.gz HTKZVAYMUNQMCK-CZUORRHYSA-N 1 2 334.851 2.196 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[C@H](Nc3cc[nH+]c(C)n3)C2)cn1 ZINC001061099716 798217460 /nfs/dbraw/zinc/21/74/60/798217460.db2.gz XWUUDLCFLMAECY-DLBZAZTESA-N 1 2 335.411 2.314 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(c4cccnc4)CC3)[C@@H]2C1 ZINC001084599739 798300207 /nfs/dbraw/zinc/30/02/07/798300207.db2.gz WSKDHVGPRXLKFR-GDBMZVCRSA-N 1 2 331.847 2.398 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3(c4cccnc4)CC3)[C@@H]2C1 ZINC001084599739 798300213 /nfs/dbraw/zinc/30/02/13/798300213.db2.gz WSKDHVGPRXLKFR-GDBMZVCRSA-N 1 2 331.847 2.398 20 30 EEEDLO Cc1nc(N[C@@H]2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)ccc1C#N ZINC001061108524 798308297 /nfs/dbraw/zinc/30/82/97/798308297.db2.gz VIDSLIPYEJHGSP-CABCVRRESA-N 1 2 338.415 2.067 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098294541 798441467 /nfs/dbraw/zinc/44/14/67/798441467.db2.gz UWFPZUHYHJEFOC-MJEQTWJJSA-N 1 2 344.459 2.172 20 30 EEEDLO C[C@@H](C#N)C(=O)NCc1cnn2c1C[N@@H+]([C@@H](C)c1ccccc1)CC2 ZINC001128264394 798572383 /nfs/dbraw/zinc/57/23/83/798572383.db2.gz MARVFOKKPSJXQP-GJZGRUSLSA-N 1 2 337.427 2.236 20 30 EEEDLO C[C@@H](C#N)C(=O)NCc1cnn2c1C[N@H+]([C@@H](C)c1ccccc1)CC2 ZINC001128264394 798572386 /nfs/dbraw/zinc/57/23/86/798572386.db2.gz MARVFOKKPSJXQP-GJZGRUSLSA-N 1 2 337.427 2.236 20 30 EEEDLO C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)c3scnc3C)C[C@H]21 ZINC001176922940 798628283 /nfs/dbraw/zinc/62/82/83/798628283.db2.gz FBDMBOVHQAVVCK-CABCVRRESA-N 1 2 335.473 2.333 20 30 EEEDLO C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3scnc3C)C[C@H]21 ZINC001176922940 798628287 /nfs/dbraw/zinc/62/82/87/798628287.db2.gz FBDMBOVHQAVVCK-CABCVRRESA-N 1 2 335.473 2.333 20 30 EEEDLO C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3scnc3C)C[C@@H]21 ZINC001176922947 798628643 /nfs/dbraw/zinc/62/86/43/798628643.db2.gz FBDMBOVHQAVVCK-LSDHHAIUSA-N 1 2 335.473 2.333 20 30 EEEDLO C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3scnc3C)C[C@@H]21 ZINC001176922947 798628644 /nfs/dbraw/zinc/62/86/44/798628644.db2.gz FBDMBOVHQAVVCK-LSDHHAIUSA-N 1 2 335.473 2.333 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2OCC[N@@H+](CCOC(C)C)[C@@H]2C1 ZINC001177024792 798701322 /nfs/dbraw/zinc/70/13/22/798701322.db2.gz KMMWELHXHMYVNO-IAGOWNOFSA-N 1 2 338.492 2.315 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2OCC[N@H+](CCOC(C)C)[C@@H]2C1 ZINC001177024792 798701325 /nfs/dbraw/zinc/70/13/25/798701325.db2.gz KMMWELHXHMYVNO-IAGOWNOFSA-N 1 2 338.492 2.315 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)C3(CC)CCC3)C[C@@H]21 ZINC001177061432 798721382 /nfs/dbraw/zinc/72/13/82/798721382.db2.gz LPSPPOSNBIVVCR-IRXDYDNUSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3(CC)CCC3)C[C@@H]21 ZINC001177061432 798721389 /nfs/dbraw/zinc/72/13/89/798721389.db2.gz LPSPPOSNBIVVCR-IRXDYDNUSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCn1cccc1C(=O)NC1CC[NH+]([C@H](C)c2nc(C)no2)CC1 ZINC001003016998 799051290 /nfs/dbraw/zinc/05/12/90/799051290.db2.gz SLIPKGUPWIQDMK-CYBMUJFWSA-N 1 2 343.431 2.321 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C=C(C)C)CC2)C1 ZINC001065704937 799352940 /nfs/dbraw/zinc/35/29/40/799352940.db2.gz SQFAPWJHKFOKCJ-KRWDZBQOSA-N 1 2 333.476 2.054 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)/C=C(/C)CC)CC2)C1 ZINC001065705376 799353476 /nfs/dbraw/zinc/35/34/76/799353476.db2.gz YFURJUINZATMEJ-HGLWPWQMSA-N 1 2 347.503 2.444 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)/C=C(/C)C3CC3)CC2)C1 ZINC001065693141 799370268 /nfs/dbraw/zinc/37/02/68/799370268.db2.gz YBBGEAHNYSJYDP-BROZXCPCSA-N 1 2 345.487 2.054 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C[C@H](C)CC)C2)CC1 ZINC001065699458 799386508 /nfs/dbraw/zinc/38/65/08/799386508.db2.gz KKIKQSBBXUXLRR-IAGOWNOFSA-N 1 2 349.519 2.380 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)C=C(C)C)CC2)C1 ZINC001065712235 799410142 /nfs/dbraw/zinc/41/01/42/799410142.db2.gz VVBKCRDKFZUBFT-MSOLQXFVSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H]([NH+]3CCN(C(=O)C(C)C)CC3)C2)CCC1 ZINC001065712743 799411247 /nfs/dbraw/zinc/41/12/47/799411247.db2.gz DLBIDMZXQCROOW-KRWDZBQOSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2cn(-c3ccccc3)nn2)CC1 ZINC001003236076 799421002 /nfs/dbraw/zinc/42/10/02/799421002.db2.gz ZXYAWVXRTVTJMZ-UHFFFAOYSA-N 1 2 345.834 2.214 20 30 EEEDLO C[C@H](Nc1cccc(F)c1C#N)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001065729951 799444754 /nfs/dbraw/zinc/44/47/54/799444754.db2.gz WIPGYDXLQBTFRU-STQMWFEESA-N 1 2 341.390 2.312 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]([NH2+]Cc2nc(C(F)F)no2)[C@@H]1C ZINC001178805707 799629313 /nfs/dbraw/zinc/62/93/13/799629313.db2.gz KIJYJMFQCZGDPH-QWRGUYRKSA-N 1 2 328.363 2.443 20 30 EEEDLO N#Cc1ccc(NCC2(CCNC(=O)CCc3c[nH]c[nH+]3)CC2)cn1 ZINC001090010745 799700499 /nfs/dbraw/zinc/70/04/99/799700499.db2.gz INCSXXGOUAOMNY-UHFFFAOYSA-N 1 2 338.415 2.008 20 30 EEEDLO N#Cc1ccc(NCC2(CCNC(=O)CCc3c[nH+]c[nH]3)CC2)cn1 ZINC001090010745 799700504 /nfs/dbraw/zinc/70/05/04/799700504.db2.gz INCSXXGOUAOMNY-UHFFFAOYSA-N 1 2 338.415 2.008 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001003763145 800132932 /nfs/dbraw/zinc/13/29/32/800132932.db2.gz LJELFHJVYQSONP-IRXDYDNUSA-N 1 2 333.432 2.127 20 30 EEEDLO Cc1ocnc1C(=O)N(C)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032948551 800486689 /nfs/dbraw/zinc/48/66/89/800486689.db2.gz OIKGKJSFQGAINM-QGZVFWFLSA-N 1 2 341.386 2.320 20 30 EEEDLO Cc1ocnc1C(=O)N(C)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032948551 800486691 /nfs/dbraw/zinc/48/66/91/800486691.db2.gz OIKGKJSFQGAINM-QGZVFWFLSA-N 1 2 341.386 2.320 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)C(=O)c1cncs1 ZINC001085503753 800658068 /nfs/dbraw/zinc/65/80/68/800658068.db2.gz GHPRPONCMJVYLK-OAHLLOKOSA-N 1 2 326.425 2.361 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1)C(=O)c1cncs1 ZINC001085503753 800658069 /nfs/dbraw/zinc/65/80/69/800658069.db2.gz GHPRPONCMJVYLK-OAHLLOKOSA-N 1 2 326.425 2.361 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)s1)C2 ZINC001110242085 800661041 /nfs/dbraw/zinc/66/10/41/800661041.db2.gz NFEJMDUYUOZANT-TUVASFSCSA-N 1 2 347.484 2.082 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)s1)C2 ZINC001110242085 800661042 /nfs/dbraw/zinc/66/10/42/800661042.db2.gz NFEJMDUYUOZANT-TUVASFSCSA-N 1 2 347.484 2.082 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1CC1(F)F ZINC001085586073 800827418 /nfs/dbraw/zinc/82/74/18/800827418.db2.gz NQFVDBHKKLHMNI-GXFFZTMASA-N 1 2 325.384 2.308 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1CC1(F)F ZINC001085586073 800827425 /nfs/dbraw/zinc/82/74/25/800827425.db2.gz NQFVDBHKKLHMNI-GXFFZTMASA-N 1 2 325.384 2.308 20 30 EEEDLO C=CCN(C)S(=O)(=O)c1ccc(NCc2c[nH+]cn2CC)cc1 ZINC000922375607 800908829 /nfs/dbraw/zinc/90/88/29/800908829.db2.gz XUARMUAFBUVESS-UHFFFAOYSA-N 1 2 334.445 2.322 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2[C@@H](C)c2cnccn2)cc1 ZINC001085756831 801196725 /nfs/dbraw/zinc/19/67/25/801196725.db2.gz RLCPOXXARUGXKL-MAUKXSAKSA-N 1 2 334.423 2.365 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@@H](C)c2cnccn2)cc1 ZINC001085756831 801196729 /nfs/dbraw/zinc/19/67/29/801196729.db2.gz RLCPOXXARUGXKL-MAUKXSAKSA-N 1 2 334.423 2.365 20 30 EEEDLO CCc1ncoc1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001085802003 801305439 /nfs/dbraw/zinc/30/54/39/801305439.db2.gz IROHEXWYYPIGNI-MRXNPFEDSA-N 1 2 338.411 2.455 20 30 EEEDLO CCc1ncoc1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001085802003 801305448 /nfs/dbraw/zinc/30/54/48/801305448.db2.gz IROHEXWYYPIGNI-MRXNPFEDSA-N 1 2 338.411 2.455 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nnc([C@@H]3CCCOC3)o2)C1 ZINC001182940147 801418272 /nfs/dbraw/zinc/41/82/72/801418272.db2.gz HZYPXOGQWCGOHY-HUUCEWRRSA-N 1 2 348.447 2.010 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H](CCNc3cc[nH+]c(C)n3)C2)nc1 ZINC001066328746 801483665 /nfs/dbraw/zinc/48/36/65/801483665.db2.gz GWPXAUIUGQIQKM-INIZCTEOSA-N 1 2 335.411 2.126 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001033086476 801528552 /nfs/dbraw/zinc/52/85/52/801528552.db2.gz ITIVXUVJUNROJS-JZXOWHBKSA-N 1 2 347.459 2.305 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001033086476 801528556 /nfs/dbraw/zinc/52/85/56/801528556.db2.gz ITIVXUVJUNROJS-JZXOWHBKSA-N 1 2 347.459 2.305 20 30 EEEDLO Cc1nc[nH]c1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001086002557 801902250 /nfs/dbraw/zinc/90/22/50/801902250.db2.gz MAVNYGRIWDCDII-QGZVFWFLSA-N 1 2 340.402 2.055 20 30 EEEDLO Cc1nc[nH]c1C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001086002557 801902253 /nfs/dbraw/zinc/90/22/53/801902253.db2.gz MAVNYGRIWDCDII-QGZVFWFLSA-N 1 2 340.402 2.055 20 30 EEEDLO CCCC#CC(=O)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001184267256 801955463 /nfs/dbraw/zinc/95/54/63/801955463.db2.gz BZZZXUCDOFYIQM-MRXNPFEDSA-N 1 2 338.411 2.119 20 30 EEEDLO CCOc1ccc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)cn1 ZINC001004448423 802068707 /nfs/dbraw/zinc/06/87/07/802068707.db2.gz YJGIJNVYWYKLML-QGZVFWFLSA-N 1 2 342.443 2.320 20 30 EEEDLO CCOc1ccc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)cn1 ZINC001004448423 802068714 /nfs/dbraw/zinc/06/87/14/802068714.db2.gz YJGIJNVYWYKLML-QGZVFWFLSA-N 1 2 342.443 2.320 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001066376612 802079507 /nfs/dbraw/zinc/07/95/07/802079507.db2.gz JXJUJUWHDIIGCM-HNNXBMFYSA-N 1 2 346.475 2.062 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2cc(C3CC3)no2)CC1 ZINC001004454831 802111680 /nfs/dbraw/zinc/11/16/80/802111680.db2.gz AJPPMTIQGPZHKZ-SFHVURJKSA-N 1 2 342.443 2.321 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2cc(C3CC3)no2)CC1 ZINC001004454831 802111686 /nfs/dbraw/zinc/11/16/86/802111686.db2.gz AJPPMTIQGPZHKZ-SFHVURJKSA-N 1 2 342.443 2.321 20 30 EEEDLO Cc1ccncc1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004455933 802114557 /nfs/dbraw/zinc/11/45/57/802114557.db2.gz CCBVPLJMPRULEB-SFHVURJKSA-N 1 2 326.444 2.159 20 30 EEEDLO Cc1ccncc1CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004455933 802114559 /nfs/dbraw/zinc/11/45/59/802114559.db2.gz CCBVPLJMPRULEB-SFHVURJKSA-N 1 2 326.444 2.159 20 30 EEEDLO C[C@H](CC(=O)N1CCC([C@@H]2CCCN2CC#N)CC1)n1cc[nH+]c1 ZINC001004568257 802386775 /nfs/dbraw/zinc/38/67/75/802386775.db2.gz LMXMUBBTBSZYLR-WBVHZDCISA-N 1 2 329.448 2.061 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001066430196 802390987 /nfs/dbraw/zinc/39/09/87/802390987.db2.gz ZJFBMCNPJNXUKJ-CABCVRRESA-N 1 2 332.448 2.052 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)COc2ccsc2)CC1 ZINC001004597040 802452359 /nfs/dbraw/zinc/45/23/59/802452359.db2.gz QJLWAXBHHAHNNU-MRXNPFEDSA-N 1 2 333.457 2.353 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)COc2ccsc2)CC1 ZINC001004597040 802452362 /nfs/dbraw/zinc/45/23/62/802452362.db2.gz QJLWAXBHHAHNNU-MRXNPFEDSA-N 1 2 333.457 2.353 20 30 EEEDLO Cc1ccc(C#N)c(NC2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CC2)n1 ZINC001110361085 802472744 /nfs/dbraw/zinc/47/27/44/802472744.db2.gz ASZCCPLHUYNYBD-AWEZNQCLSA-N 1 2 338.415 2.170 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)COc2cccc(F)c2)CC1 ZINC001004624146 802487096 /nfs/dbraw/zinc/48/70/96/802487096.db2.gz RUFUYMYFRBEOQY-GOSISDBHSA-N 1 2 345.418 2.431 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)COc2cccc(F)c2)CC1 ZINC001004624146 802487101 /nfs/dbraw/zinc/48/71/01/802487101.db2.gz RUFUYMYFRBEOQY-GOSISDBHSA-N 1 2 345.418 2.431 20 30 EEEDLO Cn1ncc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c1C1CC1 ZINC001004626718 802502140 /nfs/dbraw/zinc/50/21/40/802502140.db2.gz UDEXNOMOIBWLPH-KRWDZBQOSA-N 1 2 341.459 2.138 20 30 EEEDLO Cn1ncc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c1C1CC1 ZINC001004626718 802502145 /nfs/dbraw/zinc/50/21/45/802502145.db2.gz UDEXNOMOIBWLPH-KRWDZBQOSA-N 1 2 341.459 2.138 20 30 EEEDLO Cc1nsc(NCCCC[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1C#N ZINC001090108158 802763135 /nfs/dbraw/zinc/76/31/35/802763135.db2.gz KAXXAHUMFDZENB-NSHDSACASA-N 1 2 346.460 2.376 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001108267915 802784283 /nfs/dbraw/zinc/78/42/83/802784283.db2.gz MCMZMKXTBMSSTC-MDZRGWNJSA-N 1 2 346.496 2.390 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001108267915 802784287 /nfs/dbraw/zinc/78/42/87/802784287.db2.gz MCMZMKXTBMSSTC-MDZRGWNJSA-N 1 2 346.496 2.390 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001108274514 802947508 /nfs/dbraw/zinc/94/75/08/802947508.db2.gz HDHWMOINVXSIFW-OAQYLSRUSA-N 1 2 338.451 2.490 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001108274514 802947513 /nfs/dbraw/zinc/94/75/13/802947513.db2.gz HDHWMOINVXSIFW-OAQYLSRUSA-N 1 2 338.451 2.490 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3sccc3[nH]2)C1 ZINC001108322029 803276283 /nfs/dbraw/zinc/27/62/83/803276283.db2.gz RKJZAEMEWNRJQP-QGZVFWFLSA-N 1 2 331.441 2.073 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3sccc3[nH]2)C1 ZINC001108322029 803276285 /nfs/dbraw/zinc/27/62/85/803276285.db2.gz RKJZAEMEWNRJQP-QGZVFWFLSA-N 1 2 331.441 2.073 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001108340724 803327379 /nfs/dbraw/zinc/32/73/79/803327379.db2.gz IIBHTALDBDVXHE-QAPCUYQASA-N 1 2 334.485 2.390 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001108340724 803327385 /nfs/dbraw/zinc/32/73/85/803327385.db2.gz IIBHTALDBDVXHE-QAPCUYQASA-N 1 2 334.485 2.390 20 30 EEEDLO C=CCC1(C(=O)NCc2cnn3c2C[N@H+](C(C)C)CC3)CCOCC1 ZINC001128571324 803402680 /nfs/dbraw/zinc/40/26/80/803402680.db2.gz OZLKOSDHNAHJCX-UHFFFAOYSA-N 1 2 346.475 2.096 20 30 EEEDLO C=CCC1(C(=O)NCc2cnn3c2C[N@@H+](C(C)C)CC3)CCOCC1 ZINC001128571324 803402684 /nfs/dbraw/zinc/40/26/84/803402684.db2.gz OZLKOSDHNAHJCX-UHFFFAOYSA-N 1 2 346.475 2.096 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CCOc2ccccc2)C1 ZINC001108440854 803582470 /nfs/dbraw/zinc/58/24/70/803582470.db2.gz GBLQRGODOXOXBN-PXNSSMCTSA-N 1 2 346.471 2.485 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)CCOc2ccccc2)C1 ZINC001108440854 803582473 /nfs/dbraw/zinc/58/24/73/803582473.db2.gz GBLQRGODOXOXBN-PXNSSMCTSA-N 1 2 346.471 2.485 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CC(c3ccccc3)C2)C1 ZINC001108437233 803589342 /nfs/dbraw/zinc/58/93/42/803589342.db2.gz KQIMOUQAPRHUIL-GRERDSQWSA-N 1 2 340.467 2.411 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CC(c3ccccc3)C2)C1 ZINC001108437233 803589346 /nfs/dbraw/zinc/58/93/46/803589346.db2.gz KQIMOUQAPRHUIL-GRERDSQWSA-N 1 2 340.467 2.411 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC001112676804 806984522 /nfs/dbraw/zinc/98/45/22/806984522.db2.gz YSKNCIJSLCZJBF-KRWDZBQOSA-N 1 2 346.471 2.458 20 30 EEEDLO C=CCCOCC(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001108995583 804796708 /nfs/dbraw/zinc/79/67/08/804796708.db2.gz IMVILKILZLOBRZ-AWEZNQCLSA-N 1 2 332.448 2.196 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCCC[C@@H]1CNc1[nH+]cnc2c1cnn2C ZINC001109341862 805325619 /nfs/dbraw/zinc/32/56/19/805325619.db2.gz LIOTWTNEJZNQDH-HIFRSBDPSA-N 1 2 342.447 2.416 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCCC[C@@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001109342138 805326448 /nfs/dbraw/zinc/32/64/48/805326448.db2.gz PGNOWWOGSAMHRE-CABCVRRESA-N 1 2 346.479 2.299 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CCC(CN(CC)c2cc[nH+]c(C)n2)CC1 ZINC001112684478 807021208 /nfs/dbraw/zinc/02/12/08/807021208.db2.gz RFVIBRDZMQAAMQ-HNNXBMFYSA-N 1 2 346.475 2.441 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC001112804363 807281164 /nfs/dbraw/zinc/28/11/64/807281164.db2.gz KRATVYNVVIJJGG-HXUWFJFHSA-N 1 2 346.471 2.154 20 30 EEEDLO Cc1nc(NCC2CC(NC(=O)C#CC3CC3)C2)c2c([nH+]1)CCCC2 ZINC001112838827 807388370 /nfs/dbraw/zinc/38/83/70/807388370.db2.gz NNFDCKOJVNNAEI-UHFFFAOYSA-N 1 2 338.455 2.384 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2coc3ccc(OC)cc23)CC1 ZINC001113088185 808097844 /nfs/dbraw/zinc/09/78/44/808097844.db2.gz PKBFAAGGPBHZQA-UHFFFAOYSA-N 1 2 344.411 2.402 20 30 EEEDLO COCCN(C)c1ccc(C=[NH+]NC(=S)NC2CCCCC2)cn1 ZINC000790143331 808438097 /nfs/dbraw/zinc/43/80/97/808438097.db2.gz GBMOOMJVCPNLRX-UHFFFAOYSA-N 1 2 349.504 2.295 20 30 EEEDLO CC#CCCCC(=O)N1CC[NH+](C[C@H](O)c2cccc(OC)c2)CC1 ZINC001113232088 808502588 /nfs/dbraw/zinc/50/25/88/808502588.db2.gz CWNGLOJFPNYRCE-IBGZPJMESA-N 1 2 344.455 2.066 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H](C)[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001113250454 808542903 /nfs/dbraw/zinc/54/29/03/808542903.db2.gz BCEGCSZYCYBFTK-KBPBESRZSA-N 1 2 346.479 2.135 20 30 EEEDLO C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)Nc1ncccc1C#N ZINC001113349738 808760387 /nfs/dbraw/zinc/76/03/87/808760387.db2.gz INYOCYOYCUGHDM-NWDGAFQWSA-N 1 2 334.383 2.448 20 30 EEEDLO Cc1nsc(NCC(C)(C)CN(C)C(=O)Cc2c[nH+]c[nH]2)c1C#N ZINC001113460859 809021867 /nfs/dbraw/zinc/02/18/67/809021867.db2.gz JLCTUHINWJWTCZ-UHFFFAOYSA-N 1 2 346.460 2.186 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)CC(C)(C)CNc2cc[nH+]c(C)n2)c1 ZINC001113454835 809027550 /nfs/dbraw/zinc/02/75/50/809027550.db2.gz ANABUQNLEPGAHB-UHFFFAOYSA-N 1 2 337.427 2.372 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](CCOCc3ccccc3)CC2)cn1 ZINC001113557903 809222820 /nfs/dbraw/zinc/22/28/20/809222820.db2.gz WUJMHWGVKTVNHP-UHFFFAOYSA-N 1 2 349.434 2.038 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001113581759 809294190 /nfs/dbraw/zinc/29/41/90/809294190.db2.gz FHQIRCTUOPEYCE-UHFFFAOYSA-N 1 2 328.456 2.027 20 30 EEEDLO C=CCCOCC(=O)N1CC[NH+](CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC001113710128 809614220 /nfs/dbraw/zinc/61/42/20/809614220.db2.gz HASMBQOLZINRSQ-ROUUACIJSA-N 1 2 338.492 2.319 20 30 EEEDLO COC(=O)C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)OC ZINC001170360193 809906738 /nfs/dbraw/zinc/90/67/38/809906738.db2.gz QTJDAJLRSHLTCO-WUJZJPHMSA-N 1 2 344.411 2.085 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3C(=O)[C@@H]4CCCCC[C@@H]43)C2)nc1 ZINC000793594329 810424405 /nfs/dbraw/zinc/42/44/05/810424405.db2.gz YNQUWQDCMHXRNY-ZACQAIPSSA-N 1 2 340.427 2.155 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3C(=O)[C@@H]4CCCCC[C@@H]43)C2)nc1 ZINC000793594329 810424411 /nfs/dbraw/zinc/42/44/11/810424411.db2.gz YNQUWQDCMHXRNY-ZACQAIPSSA-N 1 2 340.427 2.155 20 30 EEEDLO C=CCOc1ccccc1C(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001130374009 811526032 /nfs/dbraw/zinc/52/60/32/811526032.db2.gz BCSZHILCEACMAT-UHFFFAOYSA-N 1 2 329.400 2.376 20 30 EEEDLO C=CCOc1ccccc1C(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001130376725 811530784 /nfs/dbraw/zinc/53/07/84/811530784.db2.gz ZAZSGQAJOHWBSN-LBPRGKRZSA-N 1 2 330.388 2.023 20 30 EEEDLO C#CCOc1ccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000806263217 811806688 /nfs/dbraw/zinc/80/66/88/811806688.db2.gz DRCWZCZWSCTBJJ-RDJZCZTQSA-N 1 2 343.427 2.026 20 30 EEEDLO CCCN(C(=O)[C@@H](C)C#N)C1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC001436759672 1088272459 /nfs/dbraw/zinc/27/24/59/1088272459.db2.gz OPSKZODRUDMQQK-LSDHHAIUSA-N 1 2 329.448 2.400 20 30 EEEDLO C[N@H+](CCNC(=O)CCc1cccnc1)Cc1ccc(C#N)cc1F ZINC001437489477 1089855674 /nfs/dbraw/zinc/85/56/74/1089855674.db2.gz AISUFCWULOSGIH-UHFFFAOYSA-N 1 2 340.402 2.273 20 30 EEEDLO C[N@@H+](CCNC(=O)CCc1cccnc1)Cc1ccc(C#N)cc1F ZINC001437489477 1089855693 /nfs/dbraw/zinc/85/56/93/1089855693.db2.gz AISUFCWULOSGIH-UHFFFAOYSA-N 1 2 340.402 2.273 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2ccccc2NC(C)=O)C1 ZINC001441202447 1094564223 /nfs/dbraw/zinc/56/42/23/1094564223.db2.gz XOWJLVOQVWOPAN-ZDUSSCGKSA-N 1 2 349.862 2.377 20 30 EEEDLO Cc1nc(C(=O)NCC[N@@H+](C)Cc2cc(C#N)ccc2F)c(C)o1 ZINC001442557301 1096920588 /nfs/dbraw/zinc/92/05/88/1096920588.db2.gz KDUXSRISVAZQBP-UHFFFAOYSA-N 1 2 330.363 2.164 20 30 EEEDLO Cc1nc(C(=O)NCC[N@H+](C)Cc2cc(C#N)ccc2F)c(C)o1 ZINC001442557301 1096920594 /nfs/dbraw/zinc/92/05/94/1096920594.db2.gz KDUXSRISVAZQBP-UHFFFAOYSA-N 1 2 330.363 2.164 20 30 EEEDLO C[N@H+](CCNC(=O)COc1ccc(F)cc1)Cc1ccccc1C#N ZINC001442593021 1096963658 /nfs/dbraw/zinc/96/36/58/1096963658.db2.gz VLSYVYJSKKXYIC-UHFFFAOYSA-N 1 2 341.386 2.324 20 30 EEEDLO C[N@@H+](CCNC(=O)COc1ccc(F)cc1)Cc1ccccc1C#N ZINC001442593021 1096963660 /nfs/dbraw/zinc/96/36/60/1096963660.db2.gz VLSYVYJSKKXYIC-UHFFFAOYSA-N 1 2 341.386 2.324 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H](C)COC)CC1 ZINC001499973209 1112561602 /nfs/dbraw/zinc/56/16/02/1112561602.db2.gz GJKUQAZVKRUYKQ-NSHDSACASA-N 1 2 333.270 2.148 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3C[C@@H]3C)n2Cc2cccs2)CC1 ZINC001515088679 1118934779 /nfs/dbraw/zinc/93/47/79/1118934779.db2.gz XRBXTKVOLREQRE-GOEBONIOSA-N 1 2 341.484 2.267 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000131440918 529867295 /nfs/dbraw/zinc/86/72/95/529867295.db2.gz RZXVHZCYZYDZCL-MRXNPFEDSA-N 1 2 337.370 2.100 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000131440918 529867296 /nfs/dbraw/zinc/86/72/96/529867296.db2.gz RZXVHZCYZYDZCL-MRXNPFEDSA-N 1 2 337.370 2.100 20 30 EEEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)C1 ZINC000329060142 539765982 /nfs/dbraw/zinc/76/59/82/539765982.db2.gz NHHCGBLWGYOYCM-HZPDHXFCSA-N 1 2 347.415 2.089 20 30 EEEDLO C[N@H+]1CCO[C@H](CNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)C1 ZINC000329060142 539765985 /nfs/dbraw/zinc/76/59/85/539765985.db2.gz NHHCGBLWGYOYCM-HZPDHXFCSA-N 1 2 347.415 2.089 20 30 EEEDLO O=C(N[C@H]1CCCN(c2ccccc2)C1)N1CCn2cc[nH+]c2C1 ZINC000329410342 539773285 /nfs/dbraw/zinc/77/32/85/539773285.db2.gz DRKJALCEJNBZPN-HNNXBMFYSA-N 1 2 325.416 2.282 20 30 EEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000329725102 539781383 /nfs/dbraw/zinc/78/13/83/539781383.db2.gz OCDMOYXOTJGXCG-ALKREAHSSA-N 1 2 330.428 2.404 20 30 EEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000329725102 539781387 /nfs/dbraw/zinc/78/13/87/539781387.db2.gz OCDMOYXOTJGXCG-ALKREAHSSA-N 1 2 330.428 2.404 20 30 EEEDLO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H]3CCC[C@H]3C#N)C2=O)c1 ZINC000333667255 539804638 /nfs/dbraw/zinc/80/46/38/539804638.db2.gz XNCVWJWBMCQQGN-ZLIFDBKOSA-N 1 2 329.400 2.091 20 30 EEEDLO N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000253420992 283215628 /nfs/dbraw/zinc/21/56/28/283215628.db2.gz OEXMBJSCORZMLF-INIZCTEOSA-N 1 2 349.438 2.440 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1CO ZINC000108361170 237120927 /nfs/dbraw/zinc/12/09/27/237120927.db2.gz DGHMJKTYGVUYTK-ZIAGYGMSSA-N 1 2 333.457 2.334 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1CO ZINC000108361170 237120938 /nfs/dbraw/zinc/12/09/38/237120938.db2.gz DGHMJKTYGVUYTK-ZIAGYGMSSA-N 1 2 333.457 2.334 20 30 EEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC(F)(C#N)CC1 ZINC000350187071 238199940 /nfs/dbraw/zinc/19/99/40/238199940.db2.gz JGDSDRVNPBGAHG-UHFFFAOYSA-N 1 2 347.394 2.086 20 30 EEEDLO C=CC[NH+](CC=C)CC(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000078636084 201189312 /nfs/dbraw/zinc/18/93/12/201189312.db2.gz DLAMZTDSICZHND-UHFFFAOYSA-N 1 2 335.835 2.411 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000265648153 201216919 /nfs/dbraw/zinc/21/69/19/201216919.db2.gz MPOLFRPXLSEJTH-CQSZACIVSA-N 1 2 333.457 2.066 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265648153 201216922 /nfs/dbraw/zinc/21/69/22/201216922.db2.gz MPOLFRPXLSEJTH-CQSZACIVSA-N 1 2 333.457 2.066 20 30 EEEDLO C=CCOCCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000266198980 201219131 /nfs/dbraw/zinc/21/91/31/201219131.db2.gz ACYOMPHQVABFGR-UHFFFAOYSA-N 1 2 327.428 2.185 20 30 EEEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000267442709 201223153 /nfs/dbraw/zinc/22/31/53/201223153.db2.gz ZAYXYQLRYYUSNV-INIZCTEOSA-N 1 2 340.876 2.095 20 30 EEEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000267442709 201223157 /nfs/dbraw/zinc/22/31/57/201223157.db2.gz ZAYXYQLRYYUSNV-INIZCTEOSA-N 1 2 340.876 2.095 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Cl)c(O)c(OCC)c2)CC1 ZINC000273969524 201263930 /nfs/dbraw/zinc/26/39/30/201263930.db2.gz QWQYXLPSIKOCIB-UHFFFAOYSA-N 1 2 336.819 2.225 20 30 EEEDLO C#CC[N@@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000274151523 201267094 /nfs/dbraw/zinc/26/70/94/201267094.db2.gz KZFIOCJVABBDLM-UHFFFAOYSA-N 1 2 326.318 2.299 20 30 EEEDLO C#CC[N@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000274151523 201267098 /nfs/dbraw/zinc/26/70/98/201267098.db2.gz KZFIOCJVABBDLM-UHFFFAOYSA-N 1 2 326.318 2.299 20 30 EEEDLO C#CCn1ccc(CN(CC)C(=O)c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000279131463 201315391 /nfs/dbraw/zinc/31/53/91/201315391.db2.gz NICDIYIVCYHZFZ-UHFFFAOYSA-N 1 2 347.422 2.423 20 30 EEEDLO CC(C)(CC#N)CNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000459256038 245049153 /nfs/dbraw/zinc/04/91/53/245049153.db2.gz HTCIZXKUAARRTF-UHFFFAOYSA-N 1 2 335.477 2.300 20 30 EEEDLO CC(C)(CC#N)CNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000459256038 245049159 /nfs/dbraw/zinc/04/91/59/245049159.db2.gz HTCIZXKUAARRTF-UHFFFAOYSA-N 1 2 335.477 2.300 20 30 EEEDLO N#Cc1ccc(F)c(CNc2[nH+]cnc3c2cnn3-c2ncccn2)c1 ZINC000095434869 203741606 /nfs/dbraw/zinc/74/16/06/203741606.db2.gz CNZRIKGUSBADMZ-UHFFFAOYSA-N 1 2 346.329 2.228 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H](O)c2ccc(F)cc2C)n1 ZINC000491783833 246149067 /nfs/dbraw/zinc/14/90/67/246149067.db2.gz KEWPOYHEWLYJGW-LJQANCHMSA-N 1 2 345.418 2.146 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H](O)c2ccc(F)cc2C)n1 ZINC000491783833 246149070 /nfs/dbraw/zinc/14/90/70/246149070.db2.gz KEWPOYHEWLYJGW-LJQANCHMSA-N 1 2 345.418 2.146 20 30 EEEDLO C#CCCCCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000159306713 206236909 /nfs/dbraw/zinc/23/69/09/206236909.db2.gz CYORVFUWQBEGAN-UHFFFAOYSA-N 1 2 329.444 2.122 20 30 EEEDLO C[N@H+](Cc1ncc(C#N)cn1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000495992757 247259133 /nfs/dbraw/zinc/25/91/33/247259133.db2.gz WBOBKUWHEDBZNW-UHFFFAOYSA-N 1 2 331.420 2.227 20 30 EEEDLO C[N@@H+](Cc1ncc(C#N)cn1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000495992757 247259136 /nfs/dbraw/zinc/25/91/36/247259136.db2.gz WBOBKUWHEDBZNW-UHFFFAOYSA-N 1 2 331.420 2.227 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000175096841 207093020 /nfs/dbraw/zinc/09/30/20/207093020.db2.gz NLGIBKFLNBJRJO-UHFFFAOYSA-N 1 2 328.803 2.498 20 30 EEEDLO CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374308695 154043259 /nfs/dbraw/zinc/04/32/59/154043259.db2.gz HAZNRXNNNBBFTC-UHFFFAOYSA-N 1 2 340.427 2.272 20 30 EEEDLO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374308695 154043262 /nfs/dbraw/zinc/04/32/62/154043262.db2.gz HAZNRXNNNBBFTC-UHFFFAOYSA-N 1 2 340.427 2.272 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cncc(O)c3)CC2)cc1 ZINC000109936844 159355006 /nfs/dbraw/zinc/35/50/06/159355006.db2.gz FQTXWDUPFWCXNT-UHFFFAOYSA-N 1 2 336.395 2.007 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cncc(O)c3)CC2)cc1 ZINC000109936844 159355007 /nfs/dbraw/zinc/35/50/07/159355007.db2.gz FQTXWDUPFWCXNT-UHFFFAOYSA-N 1 2 336.395 2.007 20 30 EEEDLO Cc1nc(SCC(=O)N[C@H](C)Cn2cc[nH+]c2)c(C#N)c(C)c1C ZINC000343168422 161109733 /nfs/dbraw/zinc/10/97/33/161109733.db2.gz ZYTFWLDSXNELMT-LLVKDONJSA-N 1 2 343.456 2.372 20 30 EEEDLO Cn1c[nH+]cc1CNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000355253677 163122786 /nfs/dbraw/zinc/12/27/86/163122786.db2.gz IGLPFJBRZOAEDM-UHFFFAOYSA-N 1 2 336.351 2.394 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC([C@@H](C)NC(C)=O)CC1 ZINC000360310680 164281851 /nfs/dbraw/zinc/28/18/51/164281851.db2.gz PPGQKENRNRBMTL-ACJLOTCBSA-N 1 2 343.427 2.009 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)Cc2cccc(C#N)c2)C1 ZINC000369337827 166239614 /nfs/dbraw/zinc/23/96/14/166239614.db2.gz FBLNQSVKQOHMKA-INIZCTEOSA-N 1 2 344.440 2.001 20 30 EEEDLO N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000329789425 270018987 /nfs/dbraw/zinc/01/89/87/270018987.db2.gz SKPYCUGUDRJAAG-AWEZNQCLSA-N 1 2 334.376 2.087 20 30 EEEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCC[N@@H+]1CCO[C@H](C)C1 ZINC000525193340 270021907 /nfs/dbraw/zinc/02/19/07/270021907.db2.gz INJCJULPVIWBSM-CYBMUJFWSA-N 1 2 328.391 2.109 20 30 EEEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCC[N@H+]1CCO[C@H](C)C1 ZINC000525193340 270021908 /nfs/dbraw/zinc/02/19/08/270021908.db2.gz INJCJULPVIWBSM-CYBMUJFWSA-N 1 2 328.391 2.109 20 30 EEEDLO Cc1cc(NC(=O)NCCCn2cc[nH+]c2)c(C#N)cc1N(C)C ZINC000436495037 268008749 /nfs/dbraw/zinc/00/87/49/268008749.db2.gz GVGGCDFYUDULBX-UHFFFAOYSA-N 1 2 326.404 2.341 20 30 EEEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000348329310 268083689 /nfs/dbraw/zinc/08/36/89/268083689.db2.gz XRDODYMFJPFTIT-HKUYNNGSSA-N 1 2 346.390 2.315 20 30 EEEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3ccnn3)C2)c(C#N)c1C ZINC000425501455 268105103 /nfs/dbraw/zinc/10/51/03/268105103.db2.gz OEPDOORJZBJDKH-TZMCWYRMSA-N 1 2 342.403 2.024 20 30 EEEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3ccnn3)C2)c(C#N)c1C ZINC000425501455 268105104 /nfs/dbraw/zinc/10/51/04/268105104.db2.gz OEPDOORJZBJDKH-TZMCWYRMSA-N 1 2 342.403 2.024 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)nc1 ZINC000299007371 268118620 /nfs/dbraw/zinc/11/86/20/268118620.db2.gz CGDYZYFANJPLLK-UHFFFAOYSA-N 1 2 344.422 2.461 20 30 EEEDLO N#Cc1c2c(cnc1N1CC[NH+](Cc3cccc(O)c3)CC1)CCC2 ZINC000425229616 268169473 /nfs/dbraw/zinc/16/94/73/268169473.db2.gz RKPNWLKWQNCAGQ-UHFFFAOYSA-N 1 2 334.423 2.470 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000444716451 268279260 /nfs/dbraw/zinc/27/92/60/268279260.db2.gz GDAUAJOHZVTEGO-IUODEOHRSA-N 1 2 341.333 2.132 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000444716451 268279263 /nfs/dbraw/zinc/27/92/63/268279263.db2.gz GDAUAJOHZVTEGO-IUODEOHRSA-N 1 2 341.333 2.132 20 30 EEEDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000275047609 269088424 /nfs/dbraw/zinc/08/84/24/269088424.db2.gz ZIBQKFHIKMYIKG-UKRRQHHQSA-N 1 2 332.400 2.219 20 30 EEEDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000275047609 269088425 /nfs/dbraw/zinc/08/84/25/269088425.db2.gz ZIBQKFHIKMYIKG-UKRRQHHQSA-N 1 2 332.400 2.219 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC3CC(F)(F)C3)CC2)cc1 ZINC000292028989 275365649 /nfs/dbraw/zinc/36/56/49/275365649.db2.gz XYZXBDAMFAFQSH-UHFFFAOYSA-N 1 2 348.397 2.431 20 30 EEEDLO CC(C)(C(=O)N[C@H]1CCCc2cc(C#N)ccc21)[NH+]1CCOCC1 ZINC000416339207 277125616 /nfs/dbraw/zinc/12/56/16/277125616.db2.gz MDTWKQCZAQYIOW-KRWDZBQOSA-N 1 2 327.428 2.163 20 30 EEEDLO C[C@@H]1CCC[C@H](Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)C1 ZINC000563437727 319011691 /nfs/dbraw/zinc/01/16/91/319011691.db2.gz BLCRJXUGHBSNQB-CVEARBPZSA-N 1 2 329.444 2.378 20 30 EEEDLO CC(C)N1CC[NH+]([C@@H]2CCN(c3ccc(C#N)c([N+](=O)[O-])c3)C2)CC1 ZINC000575963285 320128305 /nfs/dbraw/zinc/12/83/05/320128305.db2.gz OFTYMKRYNDDUPI-QGZVFWFLSA-N 1 2 343.431 2.071 20 30 EEEDLO CC(=O)N1CC[NH+](CCNC(=O)c2coc(C3CCCCC3)n2)CC1 ZINC000328730538 465112169 /nfs/dbraw/zinc/11/21/69/465112169.db2.gz GDCHMQUHNOLZMU-UHFFFAOYSA-N 1 2 348.447 2.191 20 30 EEEDLO C[C@@H]1CN(C(=O)Nc2scnc2C2CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000328938411 465174784 /nfs/dbraw/zinc/17/47/84/465174784.db2.gz RNGUUDJRHSXHDN-YPMHNXCESA-N 1 2 336.461 2.219 20 30 EEEDLO C[C@H]([C@H](C)NC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000328940252 465175496 /nfs/dbraw/zinc/17/54/96/465175496.db2.gz SJAVTOVSINQUSS-JJXSEGSLSA-N 1 2 341.496 2.193 20 30 EEEDLO CC[C@H](C)n1ncc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1C1CC1 ZINC000328953687 465180536 /nfs/dbraw/zinc/18/05/36/465180536.db2.gz YBPOXEYQQQPBTJ-RCBQFDQVSA-N 1 2 347.463 2.292 20 30 EEEDLO CC[C@H](C)n1ncc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1C1CC1 ZINC000328953687 465180547 /nfs/dbraw/zinc/18/05/47/465180547.db2.gz YBPOXEYQQQPBTJ-RCBQFDQVSA-N 1 2 347.463 2.292 20 30 EEEDLO CCc1n[nH]c(=O)c(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1CC ZINC000328960391 465184061 /nfs/dbraw/zinc/18/40/61/465184061.db2.gz QISJDHDOJNPPGE-LLVKDONJSA-N 1 2 329.404 2.223 20 30 EEEDLO CN1C(=O)N[C@@H]2C[N@H+]([C@H](C(=O)NC3CC3)c3ccc(F)cc3)CC[C@@H]21 ZINC000329031975 465209638 /nfs/dbraw/zinc/20/96/38/465209638.db2.gz PYSUJDWVUBMLLM-PMPSAXMXSA-N 1 2 346.406 2.288 20 30 EEEDLO CN1C(=O)N[C@@H]2C[N@@H+]([C@H](C(=O)NC3CC3)c3ccc(F)cc3)CC[C@@H]21 ZINC000329031975 465209643 /nfs/dbraw/zinc/20/96/43/465209643.db2.gz PYSUJDWVUBMLLM-PMPSAXMXSA-N 1 2 346.406 2.288 20 30 EEEDLO CCn1nc(C)c(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1C ZINC000355183714 465230404 /nfs/dbraw/zinc/23/04/04/465230404.db2.gz GMVHCZTZOHOSHP-FOIQADDNSA-N 1 2 349.438 2.365 20 30 EEEDLO CCn1nc(C)c(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1C ZINC000355183714 465230407 /nfs/dbraw/zinc/23/04/07/465230407.db2.gz GMVHCZTZOHOSHP-FOIQADDNSA-N 1 2 349.438 2.365 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NC[C@H](C)c2ccccc2)C1=O ZINC000337222384 465251941 /nfs/dbraw/zinc/25/19/41/465251941.db2.gz LXGZZUILSNAIJK-JZXOWHBKSA-N 1 2 343.471 2.014 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NC[C@H](C)c2ccccc2)C1=O ZINC000337222384 465251948 /nfs/dbraw/zinc/25/19/48/465251948.db2.gz LXGZZUILSNAIJK-JZXOWHBKSA-N 1 2 343.471 2.014 20 30 EEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@H]2CCCOC2)cc1 ZINC000329165800 465254279 /nfs/dbraw/zinc/25/42/79/465254279.db2.gz HOORYQGXODNNIJ-ROUUACIJSA-N 1 2 347.459 2.051 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)N(C)Cc2ccccc2F)CC1 ZINC000341994762 465283057 /nfs/dbraw/zinc/28/30/57/465283057.db2.gz RMZAYCBDLZLLAE-UHFFFAOYSA-N 1 2 333.407 2.036 20 30 EEEDLO C#C[C@@H](NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)c1ccc(Cl)cc1F ZINC000491094154 468299102 /nfs/dbraw/zinc/29/91/02/468299102.db2.gz HLSLELWFLHVTLK-GDBMZVCRSA-N 1 2 348.809 2.306 20 30 EEEDLO N#Cc1cccc(NCC(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000152980716 462601682 /nfs/dbraw/zinc/60/16/82/462601682.db2.gz OLJRHEFEQSXWQQ-UHFFFAOYSA-N 1 2 335.411 2.150 20 30 EEEDLO Cc1cccc(N2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)c1C ZINC000006982779 462714981 /nfs/dbraw/zinc/71/49/81/462714981.db2.gz ALYCDRPWTHLUFT-HXUWFJFHSA-N 1 2 340.471 2.234 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(F)c(F)c(F)c1 ZINC000154745193 462803622 /nfs/dbraw/zinc/80/36/22/462803622.db2.gz JIYUIUBFAQEECW-UHFFFAOYSA-N 1 2 327.350 2.152 20 30 EEEDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000048364951 462901344 /nfs/dbraw/zinc/90/13/44/462901344.db2.gz KCYCPDXWEPNEQJ-PVAVHDDUSA-N 1 2 341.411 2.303 20 30 EEEDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000048364951 462901348 /nfs/dbraw/zinc/90/13/48/462901348.db2.gz KCYCPDXWEPNEQJ-PVAVHDDUSA-N 1 2 341.411 2.303 20 30 EEEDLO N#Cc1cc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1F ZINC000119468803 462904515 /nfs/dbraw/zinc/90/45/15/462904515.db2.gz CHDBFYMDPHUUDO-AWEZNQCLSA-N 1 2 325.347 2.493 20 30 EEEDLO COc1ccsc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000091936586 462915354 /nfs/dbraw/zinc/91/53/54/462915354.db2.gz FRNYYXNQFDKNLN-LBPRGKRZSA-N 1 2 329.429 2.129 20 30 EEEDLO COc1ccsc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000091936586 462915359 /nfs/dbraw/zinc/91/53/59/462915359.db2.gz FRNYYXNQFDKNLN-LBPRGKRZSA-N 1 2 329.429 2.129 20 30 EEEDLO CC(C)CO[C@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000119795490 462927741 /nfs/dbraw/zinc/92/77/41/462927741.db2.gz JIFCZNQHSZXBPV-LSDHHAIUSA-N 1 2 333.457 2.472 20 30 EEEDLO CC(C)CO[C@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000119795490 462927746 /nfs/dbraw/zinc/92/77/46/462927746.db2.gz JIFCZNQHSZXBPV-LSDHHAIUSA-N 1 2 333.457 2.472 20 30 EEEDLO C#CC[N@H+](Cc1cccc(-c2cccnc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092193634 462933252 /nfs/dbraw/zinc/93/32/52/462933252.db2.gz FENOWRIDAQAYLR-IBGZPJMESA-N 1 2 340.448 2.371 20 30 EEEDLO C#CC[N@@H+](Cc1cccc(-c2cccnc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092193634 462933258 /nfs/dbraw/zinc/93/32/58/462933258.db2.gz FENOWRIDAQAYLR-IBGZPJMESA-N 1 2 340.448 2.371 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000017843308 463002647 /nfs/dbraw/zinc/00/26/47/463002647.db2.gz ZDPUTKRFAZHYJB-UHFFFAOYSA-N 1 2 349.390 2.245 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000590762227 468331528 /nfs/dbraw/zinc/33/15/28/468331528.db2.gz DWXJNLLRRFNRGS-UMVBOHGHSA-N 1 2 333.457 2.332 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000590762227 468331533 /nfs/dbraw/zinc/33/15/33/468331533.db2.gz DWXJNLLRRFNRGS-UMVBOHGHSA-N 1 2 333.457 2.332 20 30 EEEDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2nncs2)C1 ZINC000051051016 463017658 /nfs/dbraw/zinc/01/76/58/463017658.db2.gz GUSGAMKROHJBFM-RYUDHWBXSA-N 1 2 339.465 2.143 20 30 EEEDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000051051016 463017661 /nfs/dbraw/zinc/01/76/61/463017661.db2.gz GUSGAMKROHJBFM-RYUDHWBXSA-N 1 2 339.465 2.143 20 30 EEEDLO N#Cc1ccc(F)c(CS(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000120842275 463045162 /nfs/dbraw/zinc/04/51/62/463045162.db2.gz PUIMQWNBVWCJCS-UHFFFAOYSA-N 1 2 348.403 2.061 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@H+](CCCC)CC(N)=O ZINC000052703669 463100921 /nfs/dbraw/zinc/10/09/21/463100921.db2.gz BIZJQDCRELRPKO-UHFFFAOYSA-N 1 2 335.473 2.491 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](CCCC)CC(N)=O ZINC000052703669 463100923 /nfs/dbraw/zinc/10/09/23/463100923.db2.gz BIZJQDCRELRPKO-UHFFFAOYSA-N 1 2 335.473 2.491 20 30 EEEDLO C=CCN(CC=C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078316880 463103711 /nfs/dbraw/zinc/10/37/11/463103711.db2.gz AWJSVYBEKIDQJY-GOSISDBHSA-N 1 2 329.444 2.271 20 30 EEEDLO C=CCN(CC=C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078316880 463103715 /nfs/dbraw/zinc/10/37/15/463103715.db2.gz AWJSVYBEKIDQJY-GOSISDBHSA-N 1 2 329.444 2.271 20 30 EEEDLO C#CC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000135193383 463127958 /nfs/dbraw/zinc/12/79/58/463127958.db2.gz VDFUJZOXVXQTDR-INIZCTEOSA-N 1 2 330.453 2.110 20 30 EEEDLO C#CC[N@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000135193383 463127963 /nfs/dbraw/zinc/12/79/63/463127963.db2.gz VDFUJZOXVXQTDR-INIZCTEOSA-N 1 2 330.453 2.110 20 30 EEEDLO C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000068581552 463157550 /nfs/dbraw/zinc/15/75/50/463157550.db2.gz PCYYROZIFYJRPF-KRWDZBQOSA-N 1 2 331.460 2.147 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3cccnc3)CC2)cc1 ZINC000026312886 463158213 /nfs/dbraw/zinc/15/82/13/463158213.db2.gz YFYCUMGHTBMKFX-UHFFFAOYSA-N 1 2 349.438 2.023 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000054362345 463229846 /nfs/dbraw/zinc/22/98/46/463229846.db2.gz URRXQIXXNJRYIG-UHFFFAOYSA-N 1 2 347.484 2.097 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000054362345 463229851 /nfs/dbraw/zinc/22/98/51/463229851.db2.gz URRXQIXXNJRYIG-UHFFFAOYSA-N 1 2 347.484 2.097 20 30 EEEDLO Cc1cc(C)nc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)n1 ZINC000123215227 463323850 /nfs/dbraw/zinc/32/38/50/463323850.db2.gz UOCPCPZYMXPMLO-UHFFFAOYSA-N 1 2 325.391 2.426 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)o1 ZINC000123417164 463340174 /nfs/dbraw/zinc/34/01/74/463340174.db2.gz MRLCWQREUHQQJB-UHFFFAOYSA-N 1 2 345.424 2.094 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)cn1)c1ccc(F)cc1 ZINC000522111105 468354063 /nfs/dbraw/zinc/35/40/63/468354063.db2.gz GTIUMRGDBQEDFG-MRXNPFEDSA-N 1 2 335.342 2.345 20 30 EEEDLO N#Cc1nc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[nH]c1C#N ZINC000057155945 463458991 /nfs/dbraw/zinc/45/89/91/463458991.db2.gz OWXVTDANMQOEBS-AWEZNQCLSA-N 1 2 334.383 2.004 20 30 EEEDLO N#Cc1nc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH]c1C#N ZINC000057155945 463458996 /nfs/dbraw/zinc/45/89/96/463458996.db2.gz OWXVTDANMQOEBS-AWEZNQCLSA-N 1 2 334.383 2.004 20 30 EEEDLO COc1cc(/C=C/C(=O)NCCCn2cc[nH+]c2)ccc1OCC#N ZINC000072509190 463514284 /nfs/dbraw/zinc/51/42/84/463514284.db2.gz JDXAEHRRVHANHW-GQCTYLIASA-N 1 2 340.383 2.014 20 30 EEEDLO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Cl)ccc2O)c1C#N ZINC000125604429 463561017 /nfs/dbraw/zinc/56/10/17/463561017.db2.gz BCNVJQXERJRHAW-UHFFFAOYSA-N 1 2 333.779 2.045 20 30 EEEDLO N#Cc1cnc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c(Cl)c1 ZINC000058307380 463575178 /nfs/dbraw/zinc/57/51/78/463575178.db2.gz ROCHKKBNFISCBD-HNNXBMFYSA-N 1 2 338.864 2.226 20 30 EEEDLO N#CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000177781296 463790719 /nfs/dbraw/zinc/79/07/19/463790719.db2.gz LJNYGNFOZQSCEX-JZLODUJNSA-N 1 2 336.395 2.490 20 30 EEEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000177986473 463823307 /nfs/dbraw/zinc/82/33/07/463823307.db2.gz SXAOBLRZRYUHCI-IBGZPJMESA-N 1 2 335.407 2.050 20 30 EEEDLO C=CCCCCNC(=O)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000283302475 463838466 /nfs/dbraw/zinc/83/84/66/463838466.db2.gz IBUXXBTYWJMRJR-UHFFFAOYSA-N 1 2 342.443 2.324 20 30 EEEDLO C=CCn1c(SCCCn2cc[nH+]c2)nnc1-c1cnccn1 ZINC000185620844 463851740 /nfs/dbraw/zinc/85/17/40/463851740.db2.gz QPJGBUMGHQKFER-UHFFFAOYSA-N 1 2 327.417 2.300 20 30 EEEDLO CC1CC[NH+](Cc2csc(NC(=O)CN3CC(C)(C#N)C3)n2)CC1 ZINC000568764739 468385249 /nfs/dbraw/zinc/38/52/49/468385249.db2.gz UEEVPELNGSKCIJ-UHFFFAOYSA-N 1 2 347.488 2.159 20 30 EEEDLO CC(C)(C)CN(CCC#N)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000171946302 463954271 /nfs/dbraw/zinc/95/42/71/463954271.db2.gz FRKRSAKVZOKYPO-UHFFFAOYSA-N 1 2 346.475 2.186 20 30 EEEDLO CC(C)(C#N)CC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000278483130 463966769 /nfs/dbraw/zinc/96/67/69/463966769.db2.gz KIUDLLOGODBULR-UHFFFAOYSA-N 1 2 342.443 2.146 20 30 EEEDLO COc1ccncc1CO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000288583221 464050095 /nfs/dbraw/zinc/05/00/95/464050095.db2.gz LDQJTPSWTNEALV-UHFFFAOYSA-N 1 2 341.415 2.313 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc3c(cc2Cl)OCCO3)C1=O ZINC000289508766 464082504 /nfs/dbraw/zinc/08/25/04/464082504.db2.gz UWZDNLSTHVIVSD-AWEZNQCLSA-N 1 2 336.819 2.330 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc3c(cc2Cl)OCCO3)C1=O ZINC000289508766 464082507 /nfs/dbraw/zinc/08/25/07/464082507.db2.gz UWZDNLSTHVIVSD-AWEZNQCLSA-N 1 2 336.819 2.330 20 30 EEEDLO CCC[C@](C)(O)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000269798785 464098522 /nfs/dbraw/zinc/09/85/22/464098522.db2.gz CNEBKWNPQPMAMT-IBGZPJMESA-N 1 2 342.443 2.197 20 30 EEEDLO Cc1cc(C)cc(/C=C\C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000492384361 468401803 /nfs/dbraw/zinc/40/18/03/468401803.db2.gz FIIVXRPVNJNFML-PLNGDYQASA-N 1 2 341.455 2.391 20 30 EEEDLO Cc1cc(CN2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)on1 ZINC000264545640 464367574 /nfs/dbraw/zinc/36/75/74/464367574.db2.gz JJVGHFZOMHQGOT-UHFFFAOYSA-N 1 2 326.400 2.203 20 30 EEEDLO Cc1cc(C[NH+]2CCN(Cc3ccc(OCC#N)cc3)CC2)on1 ZINC000264545640 464367576 /nfs/dbraw/zinc/36/75/76/464367576.db2.gz JJVGHFZOMHQGOT-UHFFFAOYSA-N 1 2 326.400 2.203 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000174579345 464425680 /nfs/dbraw/zinc/42/56/80/464425680.db2.gz NRTXOMHGBFUDBK-IBGZPJMESA-N 1 2 340.471 2.293 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1O ZINC000189977709 464577381 /nfs/dbraw/zinc/57/73/81/464577381.db2.gz GWIRMIPPFZSXPP-UHFFFAOYSA-N 1 2 335.407 2.264 20 30 EEEDLO N#Cc1cccc(C[NH+]2CCC(NC(=O)c3[nH]nc4c3CCC4)CC2)c1 ZINC000593883455 468419565 /nfs/dbraw/zinc/41/95/65/468419565.db2.gz OSJSAWHVBUMQFY-UHFFFAOYSA-N 1 2 349.438 2.164 20 30 EEEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H](C)C#N ZINC000182792442 464729613 /nfs/dbraw/zinc/72/96/13/464729613.db2.gz ORBGZSKSMQVMHK-OAHLLOKOSA-N 1 2 329.448 2.489 20 30 EEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000266212984 464769593 /nfs/dbraw/zinc/76/95/93/464769593.db2.gz OZHIVCCHNJDOAB-KBPBESRZSA-N 1 2 333.432 2.314 20 30 EEEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000191075714 464773739 /nfs/dbraw/zinc/77/37/39/464773739.db2.gz KAYDHHVPKDTIRZ-AWEZNQCLSA-N 1 2 334.416 2.243 20 30 EEEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000191075714 464773743 /nfs/dbraw/zinc/77/37/43/464773743.db2.gz KAYDHHVPKDTIRZ-AWEZNQCLSA-N 1 2 334.416 2.243 20 30 EEEDLO CC[C@@](C)(C#N)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000286069416 464792234 /nfs/dbraw/zinc/79/22/34/464792234.db2.gz VCHIWISSCXBYRV-AOIWGVFYSA-N 1 2 327.428 2.038 20 30 EEEDLO CC[C@@](C)(C#N)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000286069416 464792236 /nfs/dbraw/zinc/79/22/36/464792236.db2.gz VCHIWISSCXBYRV-AOIWGVFYSA-N 1 2 327.428 2.038 20 30 EEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C(C)(C)C(N)=O ZINC000295593254 464896079 /nfs/dbraw/zinc/89/60/79/464896079.db2.gz BRUFPZBXSFCQIV-LBPRGKRZSA-N 1 2 348.472 2.215 20 30 EEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C(C)(C)C(N)=O ZINC000295593254 464896087 /nfs/dbraw/zinc/89/60/87/464896087.db2.gz BRUFPZBXSFCQIV-LBPRGKRZSA-N 1 2 348.472 2.215 20 30 EEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000249866696 464920735 /nfs/dbraw/zinc/92/07/35/464920735.db2.gz ICOGQWZKTKWYKZ-IAGOWNOFSA-N 1 2 328.460 2.205 20 30 EEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000249866696 464920742 /nfs/dbraw/zinc/92/07/42/464920742.db2.gz ICOGQWZKTKWYKZ-IAGOWNOFSA-N 1 2 328.460 2.205 20 30 EEEDLO C#CCNc1nc(N2CCC=C(F)C2)nc(N2CCC=C(F)C2)[nH+]1 ZINC000286611067 464977026 /nfs/dbraw/zinc/97/70/26/464977026.db2.gz VKGZJKNRUWEKPJ-UHFFFAOYSA-N 1 2 332.358 2.044 20 30 EEEDLO C#CCNc1nc(N2CCC=C(F)C2)[nH+]c(N2CCC=C(F)C2)n1 ZINC000286611067 464977033 /nfs/dbraw/zinc/97/70/33/464977033.db2.gz VKGZJKNRUWEKPJ-UHFFFAOYSA-N 1 2 332.358 2.044 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184602459 465005549 /nfs/dbraw/zinc/00/55/49/465005549.db2.gz LPVRCMMAQAYRJR-SFHVURJKSA-N 1 2 343.406 2.000 20 30 EEEDLO CCCCNC(=O)NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347945183 465327665 /nfs/dbraw/zinc/32/76/65/465327665.db2.gz JUMRLOCOYXCUEX-UHFFFAOYSA-N 1 2 340.427 2.273 20 30 EEEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347945183 465327670 /nfs/dbraw/zinc/32/76/70/465327670.db2.gz JUMRLOCOYXCUEX-UHFFFAOYSA-N 1 2 340.427 2.273 20 30 EEEDLO C[C@H](NC(=O)Nc1cnc2c(c1)CCCC2)[C@H](C)[NH+]1CCOCC1 ZINC000329439736 465333308 /nfs/dbraw/zinc/33/33/08/465333308.db2.gz JUOLOLQRFCWIEO-KBPBESRZSA-N 1 2 332.448 2.396 20 30 EEEDLO CC(C)c1nnc2n1C[C@H](NC(=O)[C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000329470206 465344432 /nfs/dbraw/zinc/34/44/32/465344432.db2.gz YQSMQYYIBLLKJN-CHWSQXEVSA-N 1 2 328.420 2.132 20 30 EEEDLO CC1(C)CN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)[C@@H]1[C@@H]1CCCO1 ZINC000329544635 465366621 /nfs/dbraw/zinc/36/66/21/465366621.db2.gz GFLUNMUVSYKZCU-OFQRWUPVSA-N 1 2 332.448 2.249 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000337457429 465381374 /nfs/dbraw/zinc/38/13/74/465381374.db2.gz POWDWOLYBKSEDB-QGZVFWFLSA-N 1 2 343.471 2.338 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000337457429 465381381 /nfs/dbraw/zinc/38/13/81/465381381.db2.gz POWDWOLYBKSEDB-QGZVFWFLSA-N 1 2 343.471 2.338 20 30 EEEDLO C=CCN(CCC#N)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000359432325 465406498 /nfs/dbraw/zinc/40/64/98/465406498.db2.gz ZBEWIFYKPAKFRS-UHFFFAOYSA-N 1 2 335.411 2.939 20 30 EEEDLO Cc1cnn([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)C2)c1 ZINC000329733657 465419800 /nfs/dbraw/zinc/41/98/00/465419800.db2.gz JUWSOIGUOJCZLL-ZIAGYGMSSA-N 1 2 328.420 2.023 20 30 EEEDLO Cc1cnn([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)C2)c1 ZINC000329733657 465419805 /nfs/dbraw/zinc/41/98/05/465419805.db2.gz JUWSOIGUOJCZLL-ZIAGYGMSSA-N 1 2 328.420 2.023 20 30 EEEDLO CN1CCOc2ccc([NH+]=C([O-])N[C@H]3CCc4[nH+]c[nH]c4C3)cc21 ZINC000329789065 465435481 /nfs/dbraw/zinc/43/54/81/465435481.db2.gz SFONCLZPMLJPGK-NSHDSACASA-N 1 2 327.388 2.122 20 30 EEEDLO CC(C)(C(=O)NCc1nnc(C2CC2)n1C1CC1)[NH+]1CCOCC1 ZINC000329926724 465476921 /nfs/dbraw/zinc/47/69/21/465476921.db2.gz WKMAQLAEZVZXLC-UHFFFAOYSA-N 1 2 333.436 2.058 20 30 EEEDLO CCCN(CCC)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000337636228 465485760 /nfs/dbraw/zinc/48/57/60/465485760.db2.gz CCDONURCORIJHP-UHFFFAOYSA-N 1 2 328.460 2.329 20 30 EEEDLO CC(C)n1cc2cc(NC(=O)NC[C@@H]3C[N@H+](C)CCO3)ccc2n1 ZINC000330033736 465512568 /nfs/dbraw/zinc/51/25/68/465512568.db2.gz VULKSHJTXVITFX-OAHLLOKOSA-N 1 2 331.420 2.274 20 30 EEEDLO CC(C)n1cc2cc(NC(=O)NC[C@@H]3C[N@@H+](C)CCO3)ccc2n1 ZINC000330033736 465512571 /nfs/dbraw/zinc/51/25/71/465512571.db2.gz VULKSHJTXVITFX-OAHLLOKOSA-N 1 2 331.420 2.274 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)o1 ZINC000337677577 465512697 /nfs/dbraw/zinc/51/26/97/465512697.db2.gz GGWOLRZMKYPVEG-UHFFFAOYSA-N 1 2 343.358 2.399 20 30 EEEDLO CC[C@@H]1C[N@H+](Cc2csc(CC(=O)NC)n2)C[C@]2(CCOC2)O1 ZINC000330064001 465521689 /nfs/dbraw/zinc/52/16/89/465521689.db2.gz BYASRAFYUSHHPL-CJNGLKHVSA-N 1 2 339.461 2.042 20 30 EEEDLO CC[C@@H]1C[N@@H+](Cc2csc(CC(=O)NC)n2)C[C@]2(CCOC2)O1 ZINC000330064001 465521692 /nfs/dbraw/zinc/52/16/92/465521692.db2.gz BYASRAFYUSHHPL-CJNGLKHVSA-N 1 2 339.461 2.042 20 30 EEEDLO CCCOc1cccc(CNC(=O)C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352462313 465531095 /nfs/dbraw/zinc/53/10/95/465531095.db2.gz CEGZNTSXKFVAHS-UHFFFAOYSA-N 1 2 333.407 2.419 20 30 EEEDLO COc1ccc(Cl)cc1CNC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352485097 465533567 /nfs/dbraw/zinc/53/35/67/465533567.db2.gz XLENVTVNZYVXOJ-UHFFFAOYSA-N 1 2 339.798 2.292 20 30 EEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCOC[C@@H](C2CCC2)C1 ZINC000330229206 465578955 /nfs/dbraw/zinc/57/89/55/465578955.db2.gz VSHMDYSJRFUHPS-HOTGVXAUSA-N 1 2 332.448 2.423 20 30 EEEDLO Cc1nc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)ccc1C#N ZINC000299125291 465612429 /nfs/dbraw/zinc/61/24/29/465612429.db2.gz ARPIHJXRSCCIMT-UHFFFAOYSA-N 1 2 349.438 2.261 20 30 EEEDLO Cc1ncc(CNC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)s1 ZINC000330335230 465619218 /nfs/dbraw/zinc/61/92/18/465619218.db2.gz RJSKXWSOASPUBR-BXUZGUMPSA-N 1 2 335.433 2.109 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1ccccc1C(F)(F)F ZINC000579957697 468443609 /nfs/dbraw/zinc/44/36/09/468443609.db2.gz GSGRYXXRBWOAEN-AWEZNQCLSA-N 1 2 329.322 2.044 20 30 EEEDLO C=C(C)COc1cc(C[N@@H+]2C[C@@H](OC)C[C@@H]2C(=O)OC)ccc1OC ZINC000362377409 465690813 /nfs/dbraw/zinc/69/08/13/465690813.db2.gz XRTHIHODQARCRG-JKSUJKDBSA-N 1 2 349.427 2.412 20 30 EEEDLO C=C(C)COc1cc(C[N@H+]2C[C@@H](OC)C[C@@H]2C(=O)OC)ccc1OC ZINC000362377409 465690820 /nfs/dbraw/zinc/69/08/20/465690820.db2.gz XRTHIHODQARCRG-JKSUJKDBSA-N 1 2 349.427 2.412 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000357043255 465723046 /nfs/dbraw/zinc/72/30/46/465723046.db2.gz UAOPUPWFVFKZEQ-OAHLLOKOSA-N 1 2 342.439 2.420 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000357043255 465723051 /nfs/dbraw/zinc/72/30/51/465723051.db2.gz UAOPUPWFVFKZEQ-OAHLLOKOSA-N 1 2 342.439 2.420 20 30 EEEDLO CC[C@H](C)n1nc(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1C ZINC000330682449 465760629 /nfs/dbraw/zinc/76/06/29/465760629.db2.gz HOUVOFOXTIYRFD-NWANDNLSSA-N 1 2 337.468 2.598 20 30 EEEDLO COc1cc[nH+]cc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000299484841 465767995 /nfs/dbraw/zinc/76/79/95/465767995.db2.gz LLGOYFIXUXFWKG-UHFFFAOYSA-N 1 2 326.356 2.251 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000366677485 465872432 /nfs/dbraw/zinc/87/24/32/465872432.db2.gz ISBAYNAMBINODS-WMLDXEAASA-N 1 2 332.448 2.342 20 30 EEEDLO CC[C@H](CSC)NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331033702 465906999 /nfs/dbraw/zinc/90/69/99/465906999.db2.gz JWJQAFACPIDDFK-CHWSQXEVSA-N 1 2 325.482 2.144 20 30 EEEDLO Cc1cc(C)c(NC(=O)NC(C)(C)CCS(C)(=O)=O)c(C)[nH+]1 ZINC000331231636 465990320 /nfs/dbraw/zinc/99/03/20/465990320.db2.gz IFEYSUCPPOXTKH-UHFFFAOYSA-N 1 2 327.450 2.355 20 30 EEEDLO CCC(CC)[C@@H](CNC(=O)c1ccc(C#N)s1)[NH+]1CCOCC1 ZINC000362969699 466152077 /nfs/dbraw/zinc/15/20/77/466152077.db2.gz ORRFWBCDWOMJHP-OAHLLOKOSA-N 1 2 335.473 2.487 20 30 EEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367259857 466223086 /nfs/dbraw/zinc/22/30/86/466223086.db2.gz KVFPGNDJJNJVCL-OAHLLOKOSA-N 1 2 326.444 2.386 20 30 EEEDLO C[S@](=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000349841115 466265194 /nfs/dbraw/zinc/26/51/94/466265194.db2.gz UBZKGPTZNWXFRD-DEOSSOPVSA-N 1 2 340.452 2.013 20 30 EEEDLO C#CCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000363280164 466323437 /nfs/dbraw/zinc/32/34/37/466323437.db2.gz JIGHMIOMGQIIIO-INIZCTEOSA-N 1 2 326.400 2.231 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000581433070 468493922 /nfs/dbraw/zinc/49/39/22/468493922.db2.gz VWMJXFKVGNXETE-CYBMUJFWSA-N 1 2 344.293 2.187 20 30 EEEDLO Cc1cc(NCC[NH+]2CCN(Cc3ccccc3)CC2)cc(C#N)n1 ZINC000308280887 466498797 /nfs/dbraw/zinc/49/87/97/466498797.db2.gz TYWYPOCTRRAZRN-UHFFFAOYSA-N 1 2 335.455 2.491 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000367738461 466527054 /nfs/dbraw/zinc/52/70/54/466527054.db2.gz AVHRDWNUKZYBMO-OAHLLOKOSA-N 1 2 334.439 2.156 20 30 EEEDLO C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000350769428 466603857 /nfs/dbraw/zinc/60/38/57/466603857.db2.gz ZAUHFMOBHJNAGH-RDTXWAMCSA-N 1 2 327.428 2.379 20 30 EEEDLO C[C@@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000350769428 466603860 /nfs/dbraw/zinc/60/38/60/466603860.db2.gz ZAUHFMOBHJNAGH-RDTXWAMCSA-N 1 2 327.428 2.379 20 30 EEEDLO CCc1ccc(NC(=O)C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cc1 ZINC000374635654 466700122 /nfs/dbraw/zinc/70/01/22/466700122.db2.gz INZJGGGQSGLPNQ-UHFFFAOYSA-N 1 2 349.438 2.276 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C(=O)OC)cc1OC ZINC000374890699 466758501 /nfs/dbraw/zinc/75/85/01/466758501.db2.gz BJSLYOYPNMHECL-CVEARBPZSA-N 1 2 349.427 2.412 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C(=O)OC)cc1OC ZINC000374890699 466758505 /nfs/dbraw/zinc/75/85/05/466758505.db2.gz BJSLYOYPNMHECL-CVEARBPZSA-N 1 2 349.427 2.412 20 30 EEEDLO Cn1cc(C[N@@H+]2CCn3c(Cc4ccccc4)nnc3C2)cc1C#N ZINC000365267530 466761818 /nfs/dbraw/zinc/76/18/18/466761818.db2.gz XLDPAEGSAHINLN-UHFFFAOYSA-N 1 2 332.411 2.095 20 30 EEEDLO Cn1cc(C[N@H+]2CCn3c(Cc4ccccc4)nnc3C2)cc1C#N ZINC000365267530 466761823 /nfs/dbraw/zinc/76/18/23/466761823.db2.gz XLDPAEGSAHINLN-UHFFFAOYSA-N 1 2 332.411 2.095 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000375346818 466835933 /nfs/dbraw/zinc/83/59/33/466835933.db2.gz APDUZLXJCMEKAT-KRWDZBQOSA-N 1 2 332.423 2.397 20 30 EEEDLO COc1cc(CCNc2cc(C)[nH+]cc2C#N)c([N+](=O)[O-])cc1OC ZINC000425204262 467088837 /nfs/dbraw/zinc/08/88/37/467088837.db2.gz GOZUCKNCMFZZAI-UHFFFAOYSA-N 1 2 342.355 2.264 20 30 EEEDLO CCc1nsc(N2CCCN(c3cc(C)[nH+]cc3C#N)CC2)n1 ZINC000425225473 467089135 /nfs/dbraw/zinc/08/91/35/467089135.db2.gz GFKSPBYOHUZKAW-UHFFFAOYSA-N 1 2 328.445 2.392 20 30 EEEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000428250660 467216064 /nfs/dbraw/zinc/21/60/64/467216064.db2.gz RGBNVQSTETYUPR-INIZCTEOSA-N 1 2 333.432 2.237 20 30 EEEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000428250660 467216068 /nfs/dbraw/zinc/21/60/68/467216068.db2.gz RGBNVQSTETYUPR-INIZCTEOSA-N 1 2 333.432 2.237 20 30 EEEDLO COc1ccccc1C[NH+]1CCN(C(=O)NCC2(C#N)CCC2)CC1 ZINC000419620243 467226694 /nfs/dbraw/zinc/22/66/94/467226694.db2.gz CKQIESQNKQBYNV-UHFFFAOYSA-N 1 2 342.443 2.216 20 30 EEEDLO C=CCOc1ccc(CNC(=O)NC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000413537560 467262156 /nfs/dbraw/zinc/26/21/56/467262156.db2.gz WVDNUIBMUPAICL-UHFFFAOYSA-N 1 2 347.459 2.161 20 30 EEEDLO C=CCC[C@@H]1NC(=O)N(Cc2ccc(N3CCCCC3)[nH+]c2)C1=O ZINC000419921144 467267678 /nfs/dbraw/zinc/26/76/78/467267678.db2.gz HKWXPKKEXZDSQA-HNNXBMFYSA-N 1 2 328.416 2.459 20 30 EEEDLO C[C@H]1CN(c2ccc(CNc3nccc(C#N)c3Cl)c[nH+]2)CCO1 ZINC000429195446 467311973 /nfs/dbraw/zinc/31/19/73/467311973.db2.gz WFZVSMIMAZXDBX-LBPRGKRZSA-N 1 2 343.818 2.839 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(Br)c(F)c1 ZINC000414122705 467380436 /nfs/dbraw/zinc/38/04/36/467380436.db2.gz GIDWLNOLEANZQE-SNVBAGLBSA-N 1 2 331.185 2.173 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(Br)c(F)c1 ZINC000414122705 467380438 /nfs/dbraw/zinc/38/04/38/467380438.db2.gz GIDWLNOLEANZQE-SNVBAGLBSA-N 1 2 331.185 2.173 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+]1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000421033612 467529932 /nfs/dbraw/zinc/52/99/32/467529932.db2.gz GCFWYPLQMDEQKO-UHFFFAOYSA-N 1 2 345.443 2.430 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+]1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000421033612 467529934 /nfs/dbraw/zinc/52/99/34/467529934.db2.gz GCFWYPLQMDEQKO-UHFFFAOYSA-N 1 2 345.443 2.430 20 30 EEEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523782632 467637716 /nfs/dbraw/zinc/63/77/16/467637716.db2.gz GQXDZJWYSVLAQV-UHFFFAOYSA-N 1 2 349.394 2.499 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000457566418 467652922 /nfs/dbraw/zinc/65/29/22/467652922.db2.gz ZUDMQZVELILYTK-JKSUJKDBSA-N 1 2 346.406 2.275 20 30 EEEDLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527688341 467664412 /nfs/dbraw/zinc/66/44/12/467664412.db2.gz YEZYKGNCARTYJQ-YIOZNXECSA-N 1 2 341.455 2.262 20 30 EEEDLO CN(C)c1cc(C#N)cc(C(=O)Nc2nc(C[NH+](C)C)cs2)c1 ZINC000457288129 467794544 /nfs/dbraw/zinc/79/45/44/467794544.db2.gz AXHWHQOLOMTIJX-UHFFFAOYSA-N 1 2 329.429 2.395 20 30 EEEDLO CCOc1ccc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1OCC ZINC000493329046 467887641 /nfs/dbraw/zinc/88/76/41/467887641.db2.gz BSCQYFIAGQSQMO-JARZOMNASA-N 1 2 345.443 2.457 20 30 EEEDLO N#CCNC(=O)C[NH2+][C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000507280188 467940799 /nfs/dbraw/zinc/94/07/99/467940799.db2.gz NXYKYPOLFFACOX-IBGZPJMESA-N 1 2 346.390 2.321 20 30 EEEDLO N#CC1(NC(=O)[C@H]2CCC(=O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000515385627 467989847 /nfs/dbraw/zinc/98/98/47/467989847.db2.gz CUSPNDFTUOHEFB-INIZCTEOSA-N 1 2 325.412 2.030 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)C1=O ZINC000532212990 468103988 /nfs/dbraw/zinc/10/39/88/468103988.db2.gz KDFGTJLSVPBSJX-JJTUDDRGSA-N 1 2 335.492 2.035 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)C1=O ZINC000532212990 468103989 /nfs/dbraw/zinc/10/39/89/468103989.db2.gz KDFGTJLSVPBSJX-JJTUDDRGSA-N 1 2 335.492 2.035 20 30 EEEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000575427038 468143990 /nfs/dbraw/zinc/14/39/90/468143990.db2.gz HNHHCMYJWLVFAE-ZIAGYGMSSA-N 1 2 328.416 2.422 20 30 EEEDLO N#Cc1cc2c(nc1NCc1cc[nH+]c(N3CCCC3)c1)CCOC2 ZINC000567214356 468165958 /nfs/dbraw/zinc/16/59/58/468165958.db2.gz GUSOOVXHDNRQFK-UHFFFAOYSA-N 1 2 335.411 2.633 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)c(OC)c1 ZINC000578707781 468240541 /nfs/dbraw/zinc/24/05/41/468240541.db2.gz VVBBLFJYZDTRBJ-UHFFFAOYSA-N 1 2 338.411 2.293 20 30 EEEDLO C#CC[N@@H+](CC#CC)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000490866733 468259145 /nfs/dbraw/zinc/25/91/45/468259145.db2.gz SQJLMUKXMOQHFB-MRXNPFEDSA-N 1 2 328.375 2.182 20 30 EEEDLO C#CC[N@H+](CC#CC)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000490866733 468259151 /nfs/dbraw/zinc/25/91/51/468259151.db2.gz SQJLMUKXMOQHFB-MRXNPFEDSA-N 1 2 328.375 2.182 20 30 EEEDLO Cc1cc(N2CC[C@@](O)(CC#N)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000591975705 468588205 /nfs/dbraw/zinc/58/82/05/468588205.db2.gz IYNXREPDDFURBT-KRWDZBQOSA-N 1 2 339.355 2.215 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+]([C@@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000592145910 468636400 /nfs/dbraw/zinc/63/64/00/468636400.db2.gz BFOLXHDMFCPVIX-CTNGQTDRSA-N 1 2 349.434 2.395 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+]([C@@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000592145910 468636405 /nfs/dbraw/zinc/63/64/05/468636405.db2.gz BFOLXHDMFCPVIX-CTNGQTDRSA-N 1 2 349.434 2.395 20 30 EEEDLO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592147411 468638796 /nfs/dbraw/zinc/63/87/96/468638796.db2.gz LMODNKXUGHLCFL-UZLBHIALSA-N 1 2 343.471 2.413 20 30 EEEDLO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592147411 468638798 /nfs/dbraw/zinc/63/87/98/468638798.db2.gz LMODNKXUGHLCFL-UZLBHIALSA-N 1 2 343.471 2.413 20 30 EEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000598000076 468735496 /nfs/dbraw/zinc/73/54/96/468735496.db2.gz XFQUCNOTUIUXNN-CABCVRRESA-N 1 2 329.444 2.327 20 30 EEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000598000076 468735500 /nfs/dbraw/zinc/73/55/00/468735500.db2.gz XFQUCNOTUIUXNN-CABCVRRESA-N 1 2 329.444 2.327 20 30 EEEDLO Cc1cc(C)n(-c2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc2F)n1 ZINC000584175841 468813958 /nfs/dbraw/zinc/81/39/58/468813958.db2.gz NOCYXMSDUGSGQF-GOSISDBHSA-N 1 2 343.406 2.202 20 30 EEEDLO CCO[C@H]1C[C@@]([NH2+]CCc2ccc(C#N)cc2)(C(=O)OC)C1(C)C ZINC000595446942 468856505 /nfs/dbraw/zinc/85/65/05/468856505.db2.gz FCXNNMCEBWHCGH-QFBILLFUSA-N 1 2 330.428 2.437 20 30 EEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595631653 468931681 /nfs/dbraw/zinc/93/16/81/468931681.db2.gz GTWNJSFAFNACOS-CYBMUJFWSA-N 1 2 332.473 2.189 20 30 EEEDLO CC[C@H](C#N)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000593571294 469041335 /nfs/dbraw/zinc/04/13/35/469041335.db2.gz REGJLTBUGGULCC-WQVCFCJDSA-N 1 2 335.835 2.378 20 30 EEEDLO CC[C@H](C#N)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000593571294 469041343 /nfs/dbraw/zinc/04/13/43/469041343.db2.gz REGJLTBUGGULCC-WQVCFCJDSA-N 1 2 335.835 2.378 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1cccc(C(F)(F)F)c1 ZINC000573039335 469045695 /nfs/dbraw/zinc/04/56/95/469045695.db2.gz UVSSJXYKRSHNIM-AWEZNQCLSA-N 1 2 329.322 2.044 20 30 EEEDLO CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)CSCC#N)C2)o1 ZINC000610726523 469052826 /nfs/dbraw/zinc/05/28/26/469052826.db2.gz DHZPAIDJZOSMGB-CYBMUJFWSA-N 1 2 336.461 2.087 20 30 EEEDLO CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)CSCC#N)C2)o1 ZINC000610726523 469052830 /nfs/dbraw/zinc/05/28/30/469052830.db2.gz DHZPAIDJZOSMGB-CYBMUJFWSA-N 1 2 336.461 2.087 20 30 EEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000595892776 469067673 /nfs/dbraw/zinc/06/76/73/469067673.db2.gz NGSARTDRNHRUDL-UHFFFAOYSA-N 1 2 325.416 2.472 20 30 EEEDLO COc1cc(C#N)ccc1C[N@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000595892776 469067677 /nfs/dbraw/zinc/06/76/77/469067677.db2.gz NGSARTDRNHRUDL-UHFFFAOYSA-N 1 2 325.416 2.472 20 30 EEEDLO C[C@@H](CC#N)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000602864207 469127283 /nfs/dbraw/zinc/12/72/83/469127283.db2.gz RDWDNSAYTJAYML-JTQLQIEISA-N 1 2 331.235 2.115 20 30 EEEDLO C=CCCC1(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000573505122 469148189 /nfs/dbraw/zinc/14/81/89/469148189.db2.gz LSKQQYFYTQFSTF-UHFFFAOYSA-N 1 2 342.443 2.154 20 30 EEEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000599309034 469205168 /nfs/dbraw/zinc/20/51/68/469205168.db2.gz CVDZAPMZMVGPHL-JKSUJKDBSA-N 1 2 346.427 2.104 20 30 EEEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000599309034 469205176 /nfs/dbraw/zinc/20/51/76/469205176.db2.gz CVDZAPMZMVGPHL-JKSUJKDBSA-N 1 2 346.427 2.104 20 30 EEEDLO CCN1CCN(C(=O)Nc2cccc(CC#N)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000573800288 469209005 /nfs/dbraw/zinc/20/90/05/469209005.db2.gz PNLUWZMPHXNOMG-INIZCTEOSA-N 1 2 338.415 2.386 20 30 EEEDLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)COc1ccccc1C#N ZINC000599351773 469222037 /nfs/dbraw/zinc/22/20/37/469222037.db2.gz JAUHCCVTCHGIQQ-INIZCTEOSA-N 1 2 348.443 2.350 20 30 EEEDLO CC(C)[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)COc1ccccc1C#N ZINC000599351773 469222039 /nfs/dbraw/zinc/22/20/39/469222039.db2.gz JAUHCCVTCHGIQQ-INIZCTEOSA-N 1 2 348.443 2.350 20 30 EEEDLO N#CC1(C(=O)N2CC[NH+](CCc3ccncc3)CC2)CCCCC1 ZINC000602198377 469237524 /nfs/dbraw/zinc/23/75/24/469237524.db2.gz KPIKDLPUCZOCGF-UHFFFAOYSA-N 1 2 326.444 2.242 20 30 EEEDLO C[C@H](O)[C@@H]1CCN(c2cc(NCCc3ccc(C#N)cc3)[nH+]cn2)C1 ZINC000596321371 469243765 /nfs/dbraw/zinc/24/37/65/469243765.db2.gz ITQOCJHXKCYKPA-WMLDXEAASA-N 1 2 337.427 2.210 20 30 EEEDLO C[C@H](O)[C@@H]1CCN(c2cc(NCCc3ccc(C#N)cc3)nc[nH+]2)C1 ZINC000596321371 469243769 /nfs/dbraw/zinc/24/37/69/469243769.db2.gz ITQOCJHXKCYKPA-WMLDXEAASA-N 1 2 337.427 2.210 20 30 EEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000574050940 469252960 /nfs/dbraw/zinc/25/29/60/469252960.db2.gz NDUIDWRJZRAWSE-HNNXBMFYSA-N 1 2 330.432 2.389 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000615793262 469315967 /nfs/dbraw/zinc/31/59/67/469315967.db2.gz GUTHCJJPRDURJA-LBPRGKRZSA-N 1 2 325.350 2.069 20 30 EEEDLO N#Cc1cc(Cl)ccc1Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000603245218 469322101 /nfs/dbraw/zinc/32/21/01/469322101.db2.gz ZAUQOIODGPLHMQ-UHFFFAOYSA-N 1 2 333.848 2.400 20 30 EEEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCc4c(O)cccc4C3)C2=O)cc1 ZINC000599646939 469322196 /nfs/dbraw/zinc/32/21/96/469322196.db2.gz NEKZKPZJNSABJV-SFHVURJKSA-N 1 2 333.391 2.427 20 30 EEEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCc4c(O)cccc4C3)C2=O)cc1 ZINC000599646939 469322201 /nfs/dbraw/zinc/32/22/01/469322201.db2.gz NEKZKPZJNSABJV-SFHVURJKSA-N 1 2 333.391 2.427 20 30 EEEDLO CC(C)(C)OC(=O)C(C)(C)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000599672300 469333146 /nfs/dbraw/zinc/33/31/46/469333146.db2.gz KYFVOCHKKALSFU-AWEZNQCLSA-N 1 2 334.416 2.008 20 30 EEEDLO N#Cc1ccc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(Cl)c1 ZINC000596797491 469361712 /nfs/dbraw/zinc/36/17/12/469361712.db2.gz ULUWCTIULLRHHT-ZDUSSCGKSA-N 1 2 334.807 2.150 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623303979 469618174 /nfs/dbraw/zinc/61/81/74/469618174.db2.gz OKYDIUYOTKNWAA-CYBMUJFWSA-N 1 2 327.384 2.201 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1C#N ZINC000619517103 469630339 /nfs/dbraw/zinc/63/03/39/469630339.db2.gz WTGOHFMRBWSKOH-LIRRHRJNSA-N 1 2 344.411 2.115 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1C#N ZINC000619517103 469630342 /nfs/dbraw/zinc/63/03/42/469630342.db2.gz WTGOHFMRBWSKOH-LIRRHRJNSA-N 1 2 344.411 2.115 20 30 EEEDLO C[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1cccc(C#N)c1 ZINC000610401740 470011256 /nfs/dbraw/zinc/01/12/56/470011256.db2.gz BPYXPXYZEFJSRR-AWEZNQCLSA-N 1 2 330.432 2.029 20 30 EEEDLO C[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1cccc(C#N)c1 ZINC000610401740 470011258 /nfs/dbraw/zinc/01/12/58/470011258.db2.gz BPYXPXYZEFJSRR-AWEZNQCLSA-N 1 2 330.432 2.029 20 30 EEEDLO C=CCOc1ccc(CNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1 ZINC000664869918 471883774 /nfs/dbraw/zinc/88/37/74/471883774.db2.gz VNTVTGIUSUWOOZ-JKSUJKDBSA-N 1 2 347.459 2.160 20 30 EEEDLO C=CCOc1ccc(CNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1 ZINC000664869918 471883779 /nfs/dbraw/zinc/88/37/79/471883779.db2.gz VNTVTGIUSUWOOZ-JKSUJKDBSA-N 1 2 347.459 2.160 20 30 EEEDLO C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106581101 526310847 /nfs/dbraw/zinc/31/08/47/526310847.db2.gz QYBATWPWKAWOEA-SFHVURJKSA-N 1 2 344.503 2.063 20 30 EEEDLO C=CCCCC(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000177813809 527111702 /nfs/dbraw/zinc/11/17/02/527111702.db2.gz LRSMTZDJNOQUDE-UHFFFAOYSA-N 1 2 345.443 2.043 20 30 EEEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000292189750 527658264 /nfs/dbraw/zinc/65/82/64/527658264.db2.gz MZULKVLKOGTORG-UHFFFAOYSA-N 1 2 332.360 2.334 20 30 EEEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000292189750 527658268 /nfs/dbraw/zinc/65/82/68/527658268.db2.gz MZULKVLKOGTORG-UHFFFAOYSA-N 1 2 332.360 2.334 20 30 EEEDLO CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000101564794 527945205 /nfs/dbraw/zinc/94/52/05/527945205.db2.gz DIIZDTWRABIEBY-MRXNPFEDSA-N 1 2 348.491 2.052 20 30 EEEDLO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000101564794 527945211 /nfs/dbraw/zinc/94/52/11/527945211.db2.gz DIIZDTWRABIEBY-MRXNPFEDSA-N 1 2 348.491 2.052 20 30 EEEDLO CC1CCN(c2ccc(CNS(=O)(=O)CCCC#N)c[nH+]2)CC1 ZINC000111329675 528267308 /nfs/dbraw/zinc/26/73/08/528267308.db2.gz HPWQMUOEEJVIFA-UHFFFAOYSA-N 1 2 336.461 2.041 20 30 EEEDLO C#CCC[NH+]1CCN(S(=O)(=O)/C=C\c2ccccc2Cl)CC1 ZINC000727454397 576427909 /nfs/dbraw/zinc/42/79/09/576427909.db2.gz DZUOXVYXVGVQGQ-ZSOIEALJSA-N 1 2 338.860 2.281 20 30 EEEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)COc1cccc(C#N)c1 ZINC000727494302 576431023 /nfs/dbraw/zinc/43/10/23/576431023.db2.gz QEINXBJAVNDHEN-INIZCTEOSA-N 1 2 326.400 2.365 20 30 EEEDLO Cc1ccc(CCCN=Nc2nccc(N3CCOCC3)n2)c[nH+]1 ZINC000774392471 577397487 /nfs/dbraw/zinc/39/74/87/577397487.db2.gz ZVVYFQFOZQFYLP-UHFFFAOYSA-N 1 2 326.404 2.047 20 30 EEEDLO C#CC[C@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)c1ccccc1 ZINC000775401201 577436685 /nfs/dbraw/zinc/43/66/85/577436685.db2.gz WJILGGJIZUBAGD-HNNXBMFYSA-N 1 2 339.420 2.363 20 30 EEEDLO Cc1cc(C(N)=[NH+]OCCn2cnc3ccccc3c2=O)ccc1F ZINC000764937967 577491337 /nfs/dbraw/zinc/49/13/37/577491337.db2.gz XWZSEIKFUQDZOS-UHFFFAOYSA-N 1 2 340.358 2.181 20 30 EEEDLO C#CC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C1CC1 ZINC000763949310 577728503 /nfs/dbraw/zinc/72/85/03/577728503.db2.gz KCIQRXAQTBYIEG-UHFFFAOYSA-N 1 2 346.452 2.450 20 30 EEEDLO C#CC[N@H+](CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2)C1CC1 ZINC000763949310 577728504 /nfs/dbraw/zinc/72/85/04/577728504.db2.gz KCIQRXAQTBYIEG-UHFFFAOYSA-N 1 2 346.452 2.450 20 30 EEEDLO C(=[NH+][N-]c1[nH]c2ccccc2[nH+]1)c1cnc(N2CCOCC2)s1 ZINC000755491329 577825695 /nfs/dbraw/zinc/82/56/95/577825695.db2.gz WVSSSMVZJBVUAB-UHFFFAOYSA-N 1 2 328.401 2.302 20 30 EEEDLO C(=[NH+]Nc1nc2ccccc2[nH]1)c1cnc(N2CCOCC2)s1 ZINC000755491329 577825696 /nfs/dbraw/zinc/82/56/96/577825696.db2.gz WVSSSMVZJBVUAB-UHFFFAOYSA-N 1 2 328.401 2.302 20 30 EEEDLO COC[C@@H](C(C)C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000742265622 577870267 /nfs/dbraw/zinc/87/02/67/577870267.db2.gz GSKPRSFGAYYZRB-HNNXBMFYSA-N 1 2 342.443 2.317 20 30 EEEDLO CCC(=O)N1CCC2(CC1)C[N@H+](CC#Cc1ccccc1)CCO2 ZINC000949261510 674693022 /nfs/dbraw/zinc/69/30/22/674693022.db2.gz SFQZJZWHNSBROZ-UHFFFAOYSA-N 1 2 326.440 2.142 20 30 EEEDLO CCC(=O)N1CCC2(CC1)C[N@@H+](CC#Cc1ccccc1)CCO2 ZINC000949261510 674693023 /nfs/dbraw/zinc/69/30/23/674693023.db2.gz SFQZJZWHNSBROZ-UHFFFAOYSA-N 1 2 326.440 2.142 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969363002 674888970 /nfs/dbraw/zinc/88/89/70/674888970.db2.gz VVJLCANPZACGQW-NSHDSACASA-N 1 2 342.374 2.244 20 30 EEEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](CC=C(Cl)Cl)C1 ZINC000969462562 675058412 /nfs/dbraw/zinc/05/84/12/675058412.db2.gz GNUCZFMNVSLZBU-SECBINFHSA-N 1 2 327.215 2.255 20 30 EEEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC000969526043 675092145 /nfs/dbraw/zinc/09/21/45/675092145.db2.gz ISJLZRDLEBKZNE-LLVKDONJSA-N 1 2 343.818 2.185 20 30 EEEDLO COc1ccc(C(=O)N[C@H](C)C2C[NH+](Cc3ccccc3C#N)C2)o1 ZINC000970642902 676043711 /nfs/dbraw/zinc/04/37/11/676043711.db2.gz JWKSAQGXDMQPOQ-CYBMUJFWSA-N 1 2 339.395 2.410 20 30 EEEDLO C=C(Br)CNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000049287240 683854042 /nfs/dbraw/zinc/85/40/42/683854042.db2.gz PZRJCFOKYJYGIO-UHFFFAOYSA-N 1 2 344.278 2.484 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC000970891776 676219752 /nfs/dbraw/zinc/21/97/52/676219752.db2.gz LJMVKVOASIGELJ-ZDUSSCGKSA-N 1 2 347.850 2.149 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnc3n2CCCCC3)C1 ZINC000969950510 675334379 /nfs/dbraw/zinc/33/43/79/675334379.db2.gz VNWNFOGYLUIZHU-CYBMUJFWSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Br)C[NH2+][C@@H]1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000970045443 675417828 /nfs/dbraw/zinc/41/78/28/675417828.db2.gz KLHCBDAUFDUYMC-LLVKDONJSA-N 1 2 341.253 2.246 20 30 EEEDLO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001067569940 676334034 /nfs/dbraw/zinc/33/40/34/676334034.db2.gz FBCHRLRLIIAXOM-UHFFFAOYSA-N 1 2 347.459 2.296 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)sc1C ZINC000971364512 676503866 /nfs/dbraw/zinc/50/38/66/676503866.db2.gz ZSGURKVFBXMHQI-CQSZACIVSA-N 1 2 343.456 2.306 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)sc1C ZINC000971364512 676503867 /nfs/dbraw/zinc/50/38/67/676503867.db2.gz ZSGURKVFBXMHQI-CQSZACIVSA-N 1 2 343.456 2.306 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC000971555271 676623231 /nfs/dbraw/zinc/62/32/31/676623231.db2.gz BJINWZXMNUHYIL-ZACQAIPSSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(C)n2)C1 ZINC000971555271 676623232 /nfs/dbraw/zinc/62/32/32/676623232.db2.gz BJINWZXMNUHYIL-ZACQAIPSSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000972148569 678316267 /nfs/dbraw/zinc/31/62/67/678316267.db2.gz XDXQFHFGGYUVKZ-DGAVXFQQSA-N 1 2 327.266 2.474 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000972148569 678316272 /nfs/dbraw/zinc/31/62/72/678316272.db2.gz XDXQFHFGGYUVKZ-DGAVXFQQSA-N 1 2 327.266 2.474 20 30 EEEDLO Cc1cc(C[N@@H+]2CCO[C@@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)cs1 ZINC000972299212 678512767 /nfs/dbraw/zinc/51/27/67/678512767.db2.gz YYJMPHJSRHLJRV-GUYCJALGSA-N 1 2 333.457 2.020 20 30 EEEDLO Cc1cc(C[N@H+]2CCO[C@@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)cs1 ZINC000972299212 678512768 /nfs/dbraw/zinc/51/27/68/678512768.db2.gz YYJMPHJSRHLJRV-GUYCJALGSA-N 1 2 333.457 2.020 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc4scnc43)C2)C1 ZINC000972380745 678631088 /nfs/dbraw/zinc/63/10/88/678631088.db2.gz JTAVZLFKLOUYQA-GOSISDBHSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc4scnc43)C2)C1 ZINC000972380745 678631090 /nfs/dbraw/zinc/63/10/90/678631090.db2.gz JTAVZLFKLOUYQA-GOSISDBHSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3([C@@H]4CCCCO4)CCC3)C2)C1 ZINC000972463182 678799106 /nfs/dbraw/zinc/79/91/06/678799106.db2.gz QZALLOCFJHKWFP-HKUYNNGSSA-N 1 2 348.487 2.215 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3([C@@H]4CCCCO4)CCC3)C2)C1 ZINC000972463182 678799109 /nfs/dbraw/zinc/79/91/09/678799109.db2.gz QZALLOCFJHKWFP-HKUYNNGSSA-N 1 2 348.487 2.215 20 30 EEEDLO Cc1c[nH]c(C(=O)N2CC[C@@H]([N@H+](C)Cc3cc(F)ccc3C#N)C2)n1 ZINC000972515083 679133052 /nfs/dbraw/zinc/13/30/52/679133052.db2.gz VSXCMSSIOAUYGQ-MRXNPFEDSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1c[nH]c(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(F)ccc3C#N)C2)n1 ZINC000972515083 679133053 /nfs/dbraw/zinc/13/30/53/679133053.db2.gz VSXCMSSIOAUYGQ-MRXNPFEDSA-N 1 2 341.390 2.075 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccc(C)s3)C2)C1 ZINC000972631761 679462164 /nfs/dbraw/zinc/46/21/64/679462164.db2.gz OKSOHCADNAKSME-LPHOPBHVSA-N 1 2 346.496 2.487 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccc(C)s3)C2)C1 ZINC000972631761 679462165 /nfs/dbraw/zinc/46/21/65/679462165.db2.gz OKSOHCADNAKSME-LPHOPBHVSA-N 1 2 346.496 2.487 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(F)cc3C)C2)C1 ZINC000972648151 679504727 /nfs/dbraw/zinc/50/47/27/679504727.db2.gz WNGKHSWMDSXGGQ-LJQANCHMSA-N 1 2 330.403 2.074 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(F)cc3C)C2)C1 ZINC000972648151 679504729 /nfs/dbraw/zinc/50/47/29/679504729.db2.gz WNGKHSWMDSXGGQ-LJQANCHMSA-N 1 2 330.403 2.074 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[C@H]3CC(C)(C)CO3)C2)C1 ZINC000972654975 679517858 /nfs/dbraw/zinc/51/78/58/679517858.db2.gz ZANFPURGCPDVOA-LPHOPBHVSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC[C@H]3CC(C)(C)CO3)C2)C1 ZINC000972654975 679517860 /nfs/dbraw/zinc/51/78/60/679517860.db2.gz ZANFPURGCPDVOA-LPHOPBHVSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C4CCCC4)no3)C2)C1 ZINC000972673007 679576557 /nfs/dbraw/zinc/57/65/57/679576557.db2.gz DAQKDFPAHHMKGG-IBGZPJMESA-N 1 2 345.443 2.435 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C4CCCC4)no3)C2)C1 ZINC000972673007 679576558 /nfs/dbraw/zinc/57/65/58/679576558.db2.gz DAQKDFPAHHMKGG-IBGZPJMESA-N 1 2 345.443 2.435 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccc(F)c(F)c3)C2)C1 ZINC000972682250 679596604 /nfs/dbraw/zinc/59/66/04/679596604.db2.gz FHEZIBDDCDCDKI-KUHUBIRLSA-N 1 2 348.393 2.005 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccc(F)c(F)c3)C2)C1 ZINC000972682250 679596608 /nfs/dbraw/zinc/59/66/08/679596608.db2.gz FHEZIBDDCDCDKI-KUHUBIRLSA-N 1 2 348.393 2.005 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3ccc(F)cc3F)C2)C1 ZINC000972683471 679597952 /nfs/dbraw/zinc/59/79/52/679597952.db2.gz MYJGFZAJVGDAIB-IFXJQAMLSA-N 1 2 348.393 2.005 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3ccc(F)cc3F)C2)C1 ZINC000972683471 679597954 /nfs/dbraw/zinc/59/79/54/679597954.db2.gz MYJGFZAJVGDAIB-IFXJQAMLSA-N 1 2 348.393 2.005 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001058571154 679806048 /nfs/dbraw/zinc/80/60/48/679806048.db2.gz AMPAASPVYJJKCB-BBWFWOEESA-N 1 2 344.459 2.078 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1CNC(=O)c1cnccn1 ZINC001024310002 679870205 /nfs/dbraw/zinc/87/02/05/679870205.db2.gz DGFRWUBSSJPMCF-KRWDZBQOSA-N 1 2 335.411 2.133 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnccn1 ZINC001024310002 679870206 /nfs/dbraw/zinc/87/02/06/679870206.db2.gz DGFRWUBSSJPMCF-KRWDZBQOSA-N 1 2 335.411 2.133 20 30 EEEDLO O=C(NC[C@@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1)c1ccon1 ZINC001024343830 679878094 /nfs/dbraw/zinc/87/80/94/679878094.db2.gz UCMMCDQUFULDIE-KRWDZBQOSA-N 1 2 341.386 2.450 20 30 EEEDLO O=C(NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1)c1ccon1 ZINC001024343830 679878095 /nfs/dbraw/zinc/87/80/95/679878095.db2.gz UCMMCDQUFULDIE-KRWDZBQOSA-N 1 2 341.386 2.450 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2cocn2)ccc1F ZINC001024362545 679879514 /nfs/dbraw/zinc/87/95/14/679879514.db2.gz MFTXIPJCGZAPPO-HNNXBMFYSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)c2cocn2)ccc1F ZINC001024362545 679879515 /nfs/dbraw/zinc/87/95/15/679879515.db2.gz MFTXIPJCGZAPPO-HNNXBMFYSA-N 1 2 342.374 2.470 20 30 EEEDLO Cc1ncc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)[nH]1 ZINC001024363471 679879570 /nfs/dbraw/zinc/87/95/70/679879570.db2.gz CEGHTWLSIYIHGS-QGZVFWFLSA-N 1 2 337.427 2.374 20 30 EEEDLO Cc1ncc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)[nH]1 ZINC001024363471 679879571 /nfs/dbraw/zinc/87/95/71/679879571.db2.gz CEGHTWLSIYIHGS-QGZVFWFLSA-N 1 2 337.427 2.374 20 30 EEEDLO Cc1csc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001024383285 679886125 /nfs/dbraw/zinc/88/61/25/679886125.db2.gz QVVFJWPQRQCUES-CQSZACIVSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1csc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001024383285 679886126 /nfs/dbraw/zinc/88/61/26/679886126.db2.gz QVVFJWPQRQCUES-CQSZACIVSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)ncn1 ZINC001024396503 679889026 /nfs/dbraw/zinc/88/90/26/679889026.db2.gz RUNYNNQZIZNLLS-GOSISDBHSA-N 1 2 349.438 2.441 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)ncn1 ZINC001024396503 679889027 /nfs/dbraw/zinc/88/90/27/679889027.db2.gz RUNYNNQZIZNLLS-GOSISDBHSA-N 1 2 349.438 2.441 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001024515319 680017184 /nfs/dbraw/zinc/01/71/84/680017184.db2.gz QUEDNCPHJWNPSA-HUUCEWRRSA-N 1 2 336.867 2.169 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001024515319 680017186 /nfs/dbraw/zinc/01/71/86/680017186.db2.gz QUEDNCPHJWNPSA-HUUCEWRRSA-N 1 2 336.867 2.169 20 30 EEEDLO Cn1cncc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024536953 680061110 /nfs/dbraw/zinc/06/11/10/680061110.db2.gz XRYKGRNZRGSQCB-QGZVFWFLSA-N 1 2 337.427 2.076 20 30 EEEDLO Cn1cncc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024536953 680061117 /nfs/dbraw/zinc/06/11/17/680061117.db2.gz XRYKGRNZRGSQCB-QGZVFWFLSA-N 1 2 337.427 2.076 20 30 EEEDLO C=CCOc1ccccc1C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001058596415 681491119 /nfs/dbraw/zinc/49/11/19/681491119.db2.gz DTROGSNWUBXOHM-HNNXBMFYSA-N 1 2 338.411 2.359 20 30 EEEDLO C[C@]1(C(=O)N2CCC[N@H+](Cc3ccccc3C#N)CC2)CCCOC1 ZINC000983027681 681687722 /nfs/dbraw/zinc/68/77/22/681687722.db2.gz ULYPDCLSKZACJO-FQEVSTJZSA-N 1 2 341.455 2.409 20 30 EEEDLO C[C@]1(C(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)CCCOC1 ZINC000983027681 681687726 /nfs/dbraw/zinc/68/77/26/681687726.db2.gz ULYPDCLSKZACJO-FQEVSTJZSA-N 1 2 341.455 2.409 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](OC)c2ccccc2)C1 ZINC001031088040 683711764 /nfs/dbraw/zinc/71/17/64/683711764.db2.gz HRIFJAZIODUAJC-OTWHNJEPSA-N 1 2 344.455 2.156 20 30 EEEDLO C=CCC1(O)CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000899586746 693800617 /nfs/dbraw/zinc/80/06/17/693800617.db2.gz HGWCFITWUPSHNW-UHFFFAOYSA-N 1 2 325.412 2.475 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+]([C@@H](C)c4noc(C)n4)C[C@H]32)CC1 ZINC000978696468 693808941 /nfs/dbraw/zinc/80/89/41/693808941.db2.gz GMECZWPZXBNTOS-OSMBCOQSSA-N 1 2 344.459 2.479 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H](C)c4noc(C)n4)C[C@H]32)CC1 ZINC000978696468 693808945 /nfs/dbraw/zinc/80/89/45/693808945.db2.gz GMECZWPZXBNTOS-OSMBCOQSSA-N 1 2 344.459 2.479 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)Cc3ncc(C)o3)C2)nc1 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/nfs/dbraw/zinc/13/16/74/1187131674.db2.gz ORLMYALMDLNFJC-MCIONIFRSA-N 1 2 345.281 2.433 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCCO2)[C@H]1C ZINC001088516892 1187131678 /nfs/dbraw/zinc/13/16/78/1187131678.db2.gz ORLMYALMDLNFJC-MCIONIFRSA-N 1 2 345.281 2.433 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)c(C)s1 ZINC001088529388 1187169983 /nfs/dbraw/zinc/16/99/83/1187169983.db2.gz TYDGEJXUOQQIPP-YGRLFVJLSA-N 1 2 343.456 2.353 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)c(C)s1 ZINC001088529388 1187169986 /nfs/dbraw/zinc/16/99/86/1187169986.db2.gz TYDGEJXUOQQIPP-YGRLFVJLSA-N 1 2 343.456 2.353 20 30 EEEDLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C=NNC1=[NH+]CCN1 ZINC000841660463 1187355153 /nfs/dbraw/zinc/35/51/53/1187355153.db2.gz YPEIZCQAZKGLSH-UHFFFAOYSA-N 1 2 330.823 2.084 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001211997444 1187593514 /nfs/dbraw/zinc/59/35/14/1187593514.db2.gz VDROBWWCAHQEAI-QZTJIDSGSA-N 1 2 346.858 2.473 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001211997444 1187593518 /nfs/dbraw/zinc/59/35/18/1187593518.db2.gz VDROBWWCAHQEAI-QZTJIDSGSA-N 1 2 346.858 2.473 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2snnc2C)[C@@H]1C ZINC001088623765 1188008383 /nfs/dbraw/zinc/00/83/83/1188008383.db2.gz SYLCSXCWZLMIDI-KGLIPLIRSA-N 1 2 345.472 2.227 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2snnc2C)[C@@H]1C ZINC001088623765 1188008385 /nfs/dbraw/zinc/00/83/85/1188008385.db2.gz SYLCSXCWZLMIDI-KGLIPLIRSA-N 1 2 345.472 2.227 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncn(-c3ccccc3)n2)[C@H]1C ZINC001088647452 1188038453 /nfs/dbraw/zinc/03/84/53/1188038453.db2.gz RIKYPMZFIGUQTI-HIFRSBDPSA-N 1 2 345.834 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncn(-c3ccccc3)n2)[C@H]1C ZINC001088647452 1188038455 /nfs/dbraw/zinc/03/84/55/1188038455.db2.gz RIKYPMZFIGUQTI-HIFRSBDPSA-N 1 2 345.834 2.212 20 30 EEEDLO C#CCCCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001076211645 1188778775 /nfs/dbraw/zinc/77/87/75/1188778775.db2.gz QNVVNLBWDFRPMN-LSDHHAIUSA-N 1 2 344.459 2.034 20 30 EEEDLO Cc1ccc(C#N)c(NC2CC(N(C)C(=O)CCc3[nH]cc[nH+]3)C2)n1 ZINC001126921164 1188796267 /nfs/dbraw/zinc/79/62/67/1188796267.db2.gz ZGZUDPMXSSYYJH-UHFFFAOYSA-N 1 2 338.415 2.019 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4nccs4)[C@@H]3C2)s1 ZINC001076390641 1188887048 /nfs/dbraw/zinc/88/70/48/1188887048.db2.gz IAFBOIKTAQPWLE-SMDDNHRTSA-N 1 2 344.465 2.423 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4nccs4)[C@@H]3C2)s1 ZINC001076390641 1188887051 /nfs/dbraw/zinc/88/70/51/1188887051.db2.gz IAFBOIKTAQPWLE-SMDDNHRTSA-N 1 2 344.465 2.423 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001076545884 1188987845 /nfs/dbraw/zinc/98/78/45/1188987845.db2.gz MDEDKOWPWGUASN-LSDHHAIUSA-N 1 2 334.464 2.448 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NCCN(CCC)c1nc(C)[nH+]c(C)c1C ZINC001101126956 1189197039 /nfs/dbraw/zinc/19/70/39/1189197039.db2.gz VHDPSZDOSAJWGA-SFHVURJKSA-N 1 2 334.464 2.062 20 30 EEEDLO C=CCN1C(=O)COCC12C[NH+](Cc1ccccc1OCCC)C2 ZINC001272925458 1193608501 /nfs/dbraw/zinc/60/85/01/1193608501.db2.gz DGMXMOKSNVBKSP-UHFFFAOYSA-N 1 2 330.428 2.075 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001077116658 1189342145 /nfs/dbraw/zinc/34/21/45/1189342145.db2.gz VRBFEQBQJFNROI-LSDHHAIUSA-N 1 2 346.475 2.059 20 30 EEEDLO N#Cc1cccc(C[NH2+]C2(CNC(=O)C(F)C(F)(F)F)CC2)c1 ZINC001483736687 1190859962 /nfs/dbraw/zinc/85/99/62/1190859962.db2.gz XTYJKIOJRHPJGB-LBPRGKRZSA-N 1 2 329.297 2.197 20 30 EEEDLO N#Cc1cccc(C[NH2+]C2(CNC(=O)[C@H](F)C(F)(F)F)CC2)c1 ZINC001483736687 1190859966 /nfs/dbraw/zinc/85/99/66/1190859966.db2.gz XTYJKIOJRHPJGB-LBPRGKRZSA-N 1 2 329.297 2.197 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001011394471 1224159164 /nfs/dbraw/zinc/15/91/64/1224159164.db2.gz QKEOYDZWCUHMRO-UHFFFAOYSA-N 1 2 326.400 2.060 20 30 EEEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](O)C(C)C ZINC001485477578 1191805229 /nfs/dbraw/zinc/80/52/29/1191805229.db2.gz VFAZBGNGBDQYFW-ZIAGYGMSSA-N 1 2 347.297 2.273 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](O)C(C)C ZINC001485477578 1191805230 /nfs/dbraw/zinc/80/52/30/1191805230.db2.gz VFAZBGNGBDQYFW-ZIAGYGMSSA-N 1 2 347.297 2.273 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CC[C@@H]3CC[C@@H](C)O3)c2C1 ZINC001128598789 1194456136 /nfs/dbraw/zinc/45/61/36/1194456136.db2.gz IWRDJIZWBBORJR-WBVHZDCISA-N 1 2 346.475 2.239 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CC[C@@H]3CC[C@@H](C)O3)c2C1 ZINC001128598789 1194456139 /nfs/dbraw/zinc/45/61/39/1194456139.db2.gz IWRDJIZWBBORJR-WBVHZDCISA-N 1 2 346.475 2.239 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C)nc3n[nH]c(C)c32)C1 ZINC001033500075 1194650550 /nfs/dbraw/zinc/65/05/50/1194650550.db2.gz DYAWUXOFGMTODT-CYBMUJFWSA-N 1 2 347.850 2.474 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)nc3n[nH]c(C)c32)C1 ZINC001033500075 1194650551 /nfs/dbraw/zinc/65/05/51/1194650551.db2.gz DYAWUXOFGMTODT-CYBMUJFWSA-N 1 2 347.850 2.474 20 30 EEEDLO CN(C(=O)Cc1ccn[nH]1)C1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001005207392 1194727833 /nfs/dbraw/zinc/72/78/33/1194727833.db2.gz VYBVKBROTNJRMR-UHFFFAOYSA-N 1 2 343.456 2.008 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c(C)noc1C ZINC001018035712 1224241329 /nfs/dbraw/zinc/24/13/29/1224241329.db2.gz CVBNGQFITTVWLL-RRQGHBQHSA-N 1 2 329.444 2.169 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c(C)noc1C ZINC001018035712 1224241332 /nfs/dbraw/zinc/24/13/32/1224241332.db2.gz CVBNGQFITTVWLL-RRQGHBQHSA-N 1 2 329.444 2.169 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2CC3(C2)CCOCC3)C1 ZINC001033584017 1194931333 /nfs/dbraw/zinc/93/13/33/1194931333.db2.gz SNCYPUFMAVBDJF-HNNXBMFYSA-N 1 2 326.868 2.478 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2CC3(C2)CCOCC3)C1 ZINC001033584017 1194931336 /nfs/dbraw/zinc/93/13/36/1194931336.db2.gz SNCYPUFMAVBDJF-HNNXBMFYSA-N 1 2 326.868 2.478 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]2C)CC1 ZINC001005241577 1194970973 /nfs/dbraw/zinc/97/09/73/1194970973.db2.gz IBIXTVQRSNGCPJ-PBHICJAKSA-N 1 2 344.459 2.052 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccsc1Cl ZINC001018055094 1224265512 /nfs/dbraw/zinc/26/55/12/1224265512.db2.gz OVIPIMUTHKQEKY-BETUJISGSA-N 1 2 338.860 2.479 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccsc1Cl ZINC001018055094 1224265520 /nfs/dbraw/zinc/26/55/20/1224265520.db2.gz OVIPIMUTHKQEKY-BETUJISGSA-N 1 2 338.860 2.479 20 30 EEEDLO CCN(C(=O)c1cc(C)[nH]n1)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033767867 1195237817 /nfs/dbraw/zinc/23/78/17/1195237817.db2.gz UHOUFNWGOIIWFX-SFHVURJKSA-N 1 2 336.439 2.306 20 30 EEEDLO CCN(C(=O)c1cc(C)[nH]n1)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033767867 1195237822 /nfs/dbraw/zinc/23/78/22/1195237822.db2.gz UHOUFNWGOIIWFX-SFHVURJKSA-N 1 2 336.439 2.306 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC2(F)F)C1 ZINC001033829110 1195366875 /nfs/dbraw/zinc/36/68/75/1195366875.db2.gz HSVWVGLNYALRQK-GHMZBOCLSA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC2(F)F)C1 ZINC001033829110 1195366879 /nfs/dbraw/zinc/36/68/79/1195366879.db2.gz HSVWVGLNYALRQK-GHMZBOCLSA-N 1 2 337.208 2.473 20 30 EEEDLO C[C@@H](CCCCNc1ccc(C#N)cn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001090156208 1195512699 /nfs/dbraw/zinc/51/26/99/1195512699.db2.gz GFZLWPUXLGHHLI-ZDUSSCGKSA-N 1 2 326.404 2.006 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3nnn(C)c3c2)C1 ZINC001034031825 1195661605 /nfs/dbraw/zinc/66/16/05/1195661605.db2.gz MEIXBBQKMDAVNV-CQSZACIVSA-N 1 2 347.850 2.257 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3nnn(C)c3c2)C1 ZINC001034031825 1195661602 /nfs/dbraw/zinc/66/16/02/1195661602.db2.gz MEIXBBQKMDAVNV-CQSZACIVSA-N 1 2 347.850 2.257 20 30 EEEDLO N#Cc1cc(C(=O)N[C@H]2CCCC[N@H+](Cc3cscn3)C2)c[nH]1 ZINC001034165090 1195882364 /nfs/dbraw/zinc/88/23/64/1195882364.db2.gz JYGGCWCZTNREGN-ZDUSSCGKSA-N 1 2 329.429 2.127 20 30 EEEDLO N#Cc1cc(C(=O)N[C@H]2CCCC[N@@H+](Cc3cscn3)C2)c[nH]1 ZINC001034165090 1195882366 /nfs/dbraw/zinc/88/23/66/1195882366.db2.gz JYGGCWCZTNREGN-ZDUSSCGKSA-N 1 2 329.429 2.127 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c(C)o1 ZINC001034171281 1195893474 /nfs/dbraw/zinc/89/34/74/1195893474.db2.gz MNOGJYDJPDIWJB-HNNXBMFYSA-N 1 2 341.415 2.276 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c(C)o1 ZINC001034171281 1195893477 /nfs/dbraw/zinc/89/34/77/1195893477.db2.gz MNOGJYDJPDIWJB-HNNXBMFYSA-N 1 2 341.415 2.276 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(Cl)n(C)n2)C1 ZINC001034300484 1196068303 /nfs/dbraw/zinc/06/83/03/1196068303.db2.gz MFYULVKEPQRKNQ-NSHDSACASA-N 1 2 331.247 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(Cl)n(C)n2)C1 ZINC001034300484 1196068307 /nfs/dbraw/zinc/06/83/07/1196068307.db2.gz MFYULVKEPQRKNQ-NSHDSACASA-N 1 2 331.247 2.410 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2conc2COC)C1 ZINC001034483689 1196293020 /nfs/dbraw/zinc/29/30/20/1196293020.db2.gz SWLOLHUTAQRHOX-LBPRGKRZSA-N 1 2 327.812 2.158 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2conc2COC)C1 ZINC001034483689 1196293023 /nfs/dbraw/zinc/29/30/23/1196293023.db2.gz SWLOLHUTAQRHOX-LBPRGKRZSA-N 1 2 327.812 2.158 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc3nnn(C)c3c2)C1 ZINC001034501341 1196300433 /nfs/dbraw/zinc/30/04/33/1196300433.db2.gz UYNZLAUKYOCGGZ-AWEZNQCLSA-N 1 2 347.850 2.305 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc3nnn(C)c3c2)C1 ZINC001034501341 1196300437 /nfs/dbraw/zinc/30/04/37/1196300437.db2.gz UYNZLAUKYOCGGZ-AWEZNQCLSA-N 1 2 347.850 2.305 20 30 EEEDLO CC#CCCCC(=O)NC[C@]1(C)C[N@H+](Cc2cnccc2C)CCO1 ZINC001108142272 1196518993 /nfs/dbraw/zinc/51/89/93/1196518993.db2.gz PHXZGCMGQIFWRV-HXUWFJFHSA-N 1 2 343.471 2.291 20 30 EEEDLO CC#CCCCC(=O)NC[C@]1(C)C[N@@H+](Cc2cnccc2C)CCO1 ZINC001108142272 1196518997 /nfs/dbraw/zinc/51/89/97/1196518997.db2.gz PHXZGCMGQIFWRV-HXUWFJFHSA-N 1 2 343.471 2.291 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@]1(C)C[N@H+](CCOCC(F)F)CCO1 ZINC001108147576 1196620495 /nfs/dbraw/zinc/62/04/95/1196620495.db2.gz AFIDWWZEEUNXHU-WMLDXEAASA-N 1 2 348.434 2.078 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@]1(C)C[N@@H+](CCOCC(F)F)CCO1 ZINC001108147576 1196620497 /nfs/dbraw/zinc/62/04/97/1196620497.db2.gz AFIDWWZEEUNXHU-WMLDXEAASA-N 1 2 348.434 2.078 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2coc(OCC)n2)CC1 ZINC001005668815 1196640329 /nfs/dbraw/zinc/64/03/29/1196640329.db2.gz VLESXWDJDNSKRJ-UHFFFAOYSA-N 1 2 327.812 2.362 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CCC)c2ccccn2)C1 ZINC001108162842 1196756801 /nfs/dbraw/zinc/75/68/01/1196756801.db2.gz YZGXMDLJEQIZRC-VQIMIIECSA-N 1 2 331.460 2.358 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CCC)c2ccccn2)C1 ZINC001108162842 1196756806 /nfs/dbraw/zinc/75/68/06/1196756806.db2.gz YZGXMDLJEQIZRC-VQIMIIECSA-N 1 2 331.460 2.358 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]2C[NH2+][C@H](C)c2noc(C)n2)cc1 ZINC001035006602 1196977653 /nfs/dbraw/zinc/97/76/53/1196977653.db2.gz APYMHEMTNUBIJZ-CXAGYDPISA-N 1 2 338.411 2.315 20 30 EEEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3ccc(Cl)cc3F)C2)OCC1=O ZINC001273230480 1197610010 /nfs/dbraw/zinc/61/00/10/1197610010.db2.gz JVORNZXXPFVTKR-KRWDZBQOSA-N 1 2 338.810 2.468 20 30 EEEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3F)C2)OCC1=O ZINC001273230480 1197610013 /nfs/dbraw/zinc/61/00/13/1197610013.db2.gz JVORNZXXPFVTKR-KRWDZBQOSA-N 1 2 338.810 2.468 20 30 EEEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1cc3ccccc3n1C)C2 ZINC001273236200 1197637875 /nfs/dbraw/zinc/63/78/75/1197637875.db2.gz BTBXPNHLYDRGIO-UHFFFAOYSA-N 1 2 339.439 2.168 20 30 EEEDLO C[C@@H]1CSC[C@@H]1N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000794713200 1197908728 /nfs/dbraw/zinc/90/87/28/1197908728.db2.gz LEBJWXYYXHNQNS-RISCZKNCSA-N 1 2 342.468 2.398 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCCC3)C1 ZINC001014862343 1224458988 /nfs/dbraw/zinc/45/89/88/1224458988.db2.gz HITYXQMTUWFMNL-KRWDZBQOSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCCC3)C1 ZINC001014862343 1224458992 /nfs/dbraw/zinc/45/89/92/1224458992.db2.gz HITYXQMTUWFMNL-KRWDZBQOSA-N 1 2 349.438 2.095 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H](NC(=O)Cn3cc[nH+]c3)CC[C@H]2C)CC1 ZINC001018229909 1224498098 /nfs/dbraw/zinc/49/80/98/1224498098.db2.gz HSDQBKVAOVFVEI-NVXWUHKLSA-N 1 2 344.459 2.125 20 30 EEEDLO CCCCN1CC2(C[NH+](CCCc3cccc(C#N)c3)C2)OCC1=O ZINC001273439383 1198964215 /nfs/dbraw/zinc/96/42/15/1198964215.db2.gz HHTKDWMGASIETD-UHFFFAOYSA-N 1 2 341.455 2.204 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001132002065 1199187804 /nfs/dbraw/zinc/18/78/04/1199187804.db2.gz GODUQAHRAWECBR-IAGOWNOFSA-N 1 2 342.487 2.492 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001132002065 1199187809 /nfs/dbraw/zinc/18/78/09/1199187809.db2.gz GODUQAHRAWECBR-IAGOWNOFSA-N 1 2 342.487 2.492 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cncc(OC)n2)C1 ZINC001132255943 1199514004 /nfs/dbraw/zinc/51/40/04/1199514004.db2.gz HQOHDVUEDLSVQG-LSDHHAIUSA-N 1 2 332.448 2.311 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cncc(OC)n2)C1 ZINC001132255943 1199514006 /nfs/dbraw/zinc/51/40/06/1199514006.db2.gz HQOHDVUEDLSVQG-LSDHHAIUSA-N 1 2 332.448 2.311 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000126152609 1199761721 /nfs/dbraw/zinc/76/17/21/1199761721.db2.gz IPVKUIIWBQSOAH-INIZCTEOSA-N 1 2 342.487 2.434 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nnc(Cc2ccccc2)o1 ZINC001132576182 1199873754 /nfs/dbraw/zinc/87/37/54/1199873754.db2.gz HSFLPKDOZVKNQV-GJZGRUSLSA-N 1 2 342.443 2.324 20 30 EEEDLO CC(=O)[C@](C#N)(CC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000877908612 1200157838 /nfs/dbraw/zinc/15/78/38/1200157838.db2.gz YAECCICNHQZNQA-HXUWFJFHSA-N 1 2 349.438 2.039 20 30 EEEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc(Cl)cc1 ZINC000811892541 1200389418 /nfs/dbraw/zinc/38/94/18/1200389418.db2.gz WCFVHOIXSKRGHB-MRXNPFEDSA-N 1 2 349.862 2.424 20 30 EEEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc(Cl)cc1 ZINC000811892541 1200389422 /nfs/dbraw/zinc/38/94/22/1200389422.db2.gz WCFVHOIXSKRGHB-MRXNPFEDSA-N 1 2 349.862 2.424 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1cccc(OC)c1 ZINC001018327344 1224611986 /nfs/dbraw/zinc/61/19/86/1224611986.db2.gz UIWNJSCDRFSDTJ-NXHRZFHOSA-N 1 2 326.440 2.497 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1cccc(OC)c1 ZINC001018327344 1224611988 /nfs/dbraw/zinc/61/19/88/1224611988.db2.gz UIWNJSCDRFSDTJ-NXHRZFHOSA-N 1 2 326.440 2.497 20 30 EEEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000812021002 1200454235 /nfs/dbraw/zinc/45/42/35/1200454235.db2.gz QLNWHJIXGVLKMQ-CJNGLKHVSA-N 1 2 335.835 2.034 20 30 EEEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000812021002 1200454237 /nfs/dbraw/zinc/45/42/37/1200454237.db2.gz QLNWHJIXGVLKMQ-CJNGLKHVSA-N 1 2 335.835 2.034 20 30 EEEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(NC(C)=O)ccc1F ZINC001018331947 1224615765 /nfs/dbraw/zinc/61/57/65/1224615765.db2.gz ZRVPEWSRCOOYNG-GASCZTMLSA-N 1 2 331.391 2.259 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(NC(C)=O)ccc1F ZINC001018331947 1224615768 /nfs/dbraw/zinc/61/57/68/1224615768.db2.gz ZRVPEWSRCOOYNG-GASCZTMLSA-N 1 2 331.391 2.259 20 30 EEEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)o1 ZINC000867680014 1201657055 /nfs/dbraw/zinc/65/70/55/1201657055.db2.gz VKEHSBXPTMQBTL-UHFFFAOYSA-N 1 2 335.385 2.168 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](CC)C(=O)N(C)c2ccc(C)cc2)nn1 ZINC000881338208 1201679967 /nfs/dbraw/zinc/67/99/67/1201679967.db2.gz QAULIYDZEJDILR-GOSISDBHSA-N 1 2 339.443 2.314 20 30 EEEDLO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC001015072719 1224709655 /nfs/dbraw/zinc/70/96/55/1224709655.db2.gz AEOKPEAHHLFMHX-CQSZACIVSA-N 1 2 325.412 2.298 20 30 EEEDLO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC001015072719 1224709659 /nfs/dbraw/zinc/70/96/59/1224709659.db2.gz AEOKPEAHHLFMHX-CQSZACIVSA-N 1 2 325.412 2.298 20 30 EEEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000132390821 1202101400 /nfs/dbraw/zinc/10/14/00/1202101400.db2.gz VFTSNSNXEJXXEK-CRAIPNDOSA-N 1 2 348.406 2.334 20 30 EEEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000132390821 1202101401 /nfs/dbraw/zinc/10/14/01/1202101401.db2.gz VFTSNSNXEJXXEK-CRAIPNDOSA-N 1 2 348.406 2.334 20 30 EEEDLO C=CCN1C(=O)COCC12C[NH+](Cc1ccc(OC(C)(C)C)cc1)C2 ZINC001274206422 1204460397 /nfs/dbraw/zinc/46/03/97/1204460397.db2.gz RSHMOYBAVGNFJF-UHFFFAOYSA-N 1 2 344.455 2.463 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)cn1 ZINC000826605218 1204570406 /nfs/dbraw/zinc/57/04/06/1204570406.db2.gz OPRLVVFHOVJUHX-FQEVSTJZSA-N 1 2 349.434 2.002 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)cn1 ZINC000826605218 1204570407 /nfs/dbraw/zinc/57/04/07/1204570407.db2.gz OPRLVVFHOVJUHX-FQEVSTJZSA-N 1 2 349.434 2.002 20 30 EEEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)cnc1F)CC2 ZINC001274259829 1204977752 /nfs/dbraw/zinc/97/77/52/1204977752.db2.gz MCUIPWLGMFJEND-AWEZNQCLSA-N 1 2 335.810 2.226 20 30 EEEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2c(OC)cncc2OC)C1=O ZINC001274591754 1205091231 /nfs/dbraw/zinc/09/12/31/1205091231.db2.gz ZHWQNRUKELTZIN-IBGZPJMESA-N 1 2 345.443 2.242 20 30 EEEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2c(OC)cncc2OC)C1=O ZINC001274591754 1205091235 /nfs/dbraw/zinc/09/12/35/1205091235.db2.gz ZHWQNRUKELTZIN-IBGZPJMESA-N 1 2 345.443 2.242 20 30 EEEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC[C@]23CC(=O)N(CC(F)F)C3)c1 ZINC001274667743 1205124910 /nfs/dbraw/zinc/12/49/10/1205124910.db2.gz RBQFQPAZVBUWQM-GOSISDBHSA-N 1 2 349.381 2.486 20 30 EEEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC[C@]23CC(=O)N(CC(F)F)C3)c1 ZINC001274667743 1205124912 /nfs/dbraw/zinc/12/49/12/1205124912.db2.gz RBQFQPAZVBUWQM-GOSISDBHSA-N 1 2 349.381 2.486 20 30 EEEDLO CC[C@H](C)N1C[C@@]2(CC[N@H+](Cc3cc(F)ccc3C#N)C2)OCC1=O ZINC001274774717 1205159414 /nfs/dbraw/zinc/15/94/14/1205159414.db2.gz XEPROLSGKGCPPF-LIRRHRJNSA-N 1 2 345.418 2.299 20 30 EEEDLO CC[C@H](C)N1C[C@@]2(CC[N@@H+](Cc3cc(F)ccc3C#N)C2)OCC1=O ZINC001274774717 1205159415 /nfs/dbraw/zinc/15/94/15/1205159415.db2.gz XEPROLSGKGCPPF-LIRRHRJNSA-N 1 2 345.418 2.299 20 30 EEEDLO N#Cc1cc(F)cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3Cc2ccc[nH]2)c1 ZINC001275413388 1205347536 /nfs/dbraw/zinc/34/75/36/1205347536.db2.gz JUYMJEYKDMPFLF-KDURUIRLSA-N 1 2 340.402 2.111 20 30 EEEDLO N#Cc1cc(F)cc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3Cc2ccc[nH]2)c1 ZINC001275413388 1205347537 /nfs/dbraw/zinc/34/75/37/1205347537.db2.gz JUYMJEYKDMPFLF-KDURUIRLSA-N 1 2 340.402 2.111 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)c(F)c1 ZINC001275956329 1205602165 /nfs/dbraw/zinc/60/21/65/1205602165.db2.gz HPRBOGNIWBUVFE-MOPGFXCFSA-N 1 2 340.402 2.111 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)c(F)c1 ZINC001275956329 1205602167 /nfs/dbraw/zinc/60/21/67/1205602167.db2.gz HPRBOGNIWBUVFE-MOPGFXCFSA-N 1 2 340.402 2.111 20 30 EEEDLO Cn1cc(CN2C[C@@H]3CC[N@H+](Cc4nccs4)[C@@H]3C2)cc1C#N ZINC001276183293 1205822399 /nfs/dbraw/zinc/82/23/99/1205822399.db2.gz KLYDJGGDQSTBCB-GOEBONIOSA-N 1 2 327.457 2.060 20 30 EEEDLO Cn1cc(CN2C[C@@H]3CC[N@@H+](Cc4nccs4)[C@@H]3C2)cc1C#N ZINC001276183293 1205822400 /nfs/dbraw/zinc/82/24/00/1205822400.db2.gz KLYDJGGDQSTBCB-GOEBONIOSA-N 1 2 327.457 2.060 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCn3nccc31)C2 ZINC001095643644 1205900967 /nfs/dbraw/zinc/90/09/67/1205900967.db2.gz OPQDJRCJMUQVFT-HOSILWTGSA-N 1 2 334.851 2.235 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCn3nccc31)C2 ZINC001095643644 1205900970 /nfs/dbraw/zinc/90/09/70/1205900970.db2.gz OPQDJRCJMUQVFT-HOSILWTGSA-N 1 2 334.851 2.235 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nnc(C)n3c1)C2 ZINC001095657664 1205905095 /nfs/dbraw/zinc/90/50/95/1205905095.db2.gz DQSBRQUVNDJCPY-ILXRZTDVSA-N 1 2 345.834 2.125 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nnc(C)n3c1)C2 ZINC001095657664 1205905097 /nfs/dbraw/zinc/90/50/97/1205905097.db2.gz DQSBRQUVNDJCPY-ILXRZTDVSA-N 1 2 345.834 2.125 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001015241822 1224971642 /nfs/dbraw/zinc/97/16/42/1224971642.db2.gz QFBMFUSWWQQALH-GGPKGHCWSA-N 1 2 339.439 2.208 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001015241822 1224971650 /nfs/dbraw/zinc/97/16/50/1224971650.db2.gz QFBMFUSWWQQALH-GGPKGHCWSA-N 1 2 339.439 2.208 20 30 EEEDLO Cn1c(Cl)ncc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001015266145 1225007105 /nfs/dbraw/zinc/00/71/05/1225007105.db2.gz BPPGYSWTQVRSHR-SNVBAGLBSA-N 1 2 349.847 2.011 20 30 EEEDLO Cn1c(Cl)ncc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001015266145 1225007112 /nfs/dbraw/zinc/00/71/12/1225007112.db2.gz BPPGYSWTQVRSHR-SNVBAGLBSA-N 1 2 349.847 2.011 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cnc(C)[nH]2)C[C@H]1C ZINC000947143462 1208020468 /nfs/dbraw/zinc/02/04/68/1208020468.db2.gz JSVRABZEIHQCEA-PWSUYJOCSA-N 1 2 341.253 2.209 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cnc(C)[nH]2)C[C@H]1C ZINC000947143462 1208020472 /nfs/dbraw/zinc/02/04/72/1208020472.db2.gz JSVRABZEIHQCEA-PWSUYJOCSA-N 1 2 341.253 2.209 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2[nH]cnc2C)C[C@H]1C ZINC000948100001 1208873640 /nfs/dbraw/zinc/87/36/40/1208873640.db2.gz NOISYBZQDVPZDW-PWSUYJOCSA-N 1 2 341.253 2.209 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2[nH]cnc2C)C[C@H]1C ZINC000948100001 1208873643 /nfs/dbraw/zinc/87/36/43/1208873643.db2.gz NOISYBZQDVPZDW-PWSUYJOCSA-N 1 2 341.253 2.209 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCCO1 ZINC000948910230 1209447879 /nfs/dbraw/zinc/44/78/79/1209447879.db2.gz 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C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001046456840 1234823772 /nfs/dbraw/zinc/82/37/72/1234823772.db2.gz ROPRKKSSMRZTHP-GOSISDBHSA-N 1 2 347.846 2.152 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001046456840 1234823775 /nfs/dbraw/zinc/82/37/75/1234823775.db2.gz ROPRKKSSMRZTHP-GOSISDBHSA-N 1 2 347.846 2.152 20 30 EEEDLO CCn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)n1 ZINC001096102650 1234865393 /nfs/dbraw/zinc/86/53/93/1234865393.db2.gz CBZFZNBSAGRVAX-NEWSRXKRSA-N 1 2 349.438 2.310 20 30 EEEDLO CCn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)n1 ZINC001096102650 1234865399 /nfs/dbraw/zinc/86/53/99/1234865399.db2.gz CBZFZNBSAGRVAX-NEWSRXKRSA-N 1 2 349.438 2.310 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001046523907 1234904204 /nfs/dbraw/zinc/90/42/04/1234904204.db2.gz JAKRJRIWJFLEQP-QGZVFWFLSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001046523907 1234904210 /nfs/dbraw/zinc/90/42/10/1234904210.db2.gz JAKRJRIWJFLEQP-QGZVFWFLSA-N 1 2 345.834 2.214 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](Cc3cc4n(n3)CCC4)C2)cc1 ZINC001046533474 1234915009 /nfs/dbraw/zinc/91/50/09/1234915009.db2.gz NVNMXCNMRAWNJU-OAQYLSRUSA-N 1 2 348.450 2.205 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](Cc3cc4n(n3)CCC4)C2)cc1 ZINC001046533474 1234915014 /nfs/dbraw/zinc/91/50/14/1234915014.db2.gz NVNMXCNMRAWNJU-OAQYLSRUSA-N 1 2 348.450 2.205 20 30 EEEDLO Cc1nocc1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046590889 1234970820 /nfs/dbraw/zinc/97/08/20/1234970820.db2.gz SZDSDAPBDLPSDT-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nocc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046590889 1234970823 /nfs/dbraw/zinc/97/08/23/1234970823.db2.gz SZDSDAPBDLPSDT-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccncc2Cl)C1 ZINC001046632069 1235015234 /nfs/dbraw/zinc/01/52/34/1235015234.db2.gz QTVAXYBIFIMPOY-HFTRVMKXSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001046632069 1235015238 /nfs/dbraw/zinc/01/52/38/1235015238.db2.gz QTVAXYBIFIMPOY-HFTRVMKXSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001046668201 1235054626 /nfs/dbraw/zinc/05/46/26/1235054626.db2.gz KYVAUHMEHOJCLI-KRWDZBQOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001046668201 1235054630 /nfs/dbraw/zinc/05/46/30/1235054630.db2.gz KYVAUHMEHOJCLI-KRWDZBQOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001067711715 1249413275 /nfs/dbraw/zinc/41/32/75/1249413275.db2.gz AEVPDINPIXGOOH-ARFHVFGLSA-N 1 2 346.475 2.422 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001067711715 1249413278 /nfs/dbraw/zinc/41/32/78/1249413278.db2.gz AEVPDINPIXGOOH-ARFHVFGLSA-N 1 2 346.475 2.422 20 30 EEEDLO C[C@@]1(NC(=O)c2ncccc2F)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046731435 1235123307 /nfs/dbraw/zinc/12/33/07/1235123307.db2.gz JQNHYVSLYUENOY-LJQANCHMSA-N 1 2 338.386 2.487 20 30 EEEDLO C[C@@]1(NC(=O)c2ncccc2F)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046731435 1235123310 /nfs/dbraw/zinc/12/33/10/1235123310.db2.gz JQNHYVSLYUENOY-LJQANCHMSA-N 1 2 338.386 2.487 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCCO2)C1 ZINC001046926771 1235315193 /nfs/dbraw/zinc/31/51/93/1235315193.db2.gz CKZIDRYNBDURIP-STQMWFEESA-N 1 2 336.810 2.381 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCCO2)C1 ZINC001046926771 1235315194 /nfs/dbraw/zinc/31/51/94/1235315194.db2.gz CKZIDRYNBDURIP-STQMWFEESA-N 1 2 336.810 2.381 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1C[N@H+](CCF)CCC1(F)F ZINC001046946960 1235341052 /nfs/dbraw/zinc/34/10/52/1235341052.db2.gz APJMHJKEKXASJZ-ZDUSSCGKSA-N 1 2 329.366 2.331 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1C[N@@H+](CCF)CCC1(F)F ZINC001046946960 1235341055 /nfs/dbraw/zinc/34/10/55/1235341055.db2.gz APJMHJKEKXASJZ-ZDUSSCGKSA-N 1 2 329.366 2.331 20 30 EEEDLO N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cn1 ZINC001047074128 1235476683 /nfs/dbraw/zinc/47/66/83/1235476683.db2.gz DAEBAJYWHFFQOZ-YGUOUDRMSA-N 1 2 346.394 2.450 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@@H](C2CC[NH+](Cc3csnn3)CC2)C1 ZINC001047232591 1235711111 /nfs/dbraw/zinc/71/11/11/1235711111.db2.gz VGTWCSYYYZYXEA-UKRRQHHQSA-N 1 2 347.488 2.148 20 30 EEEDLO CCC(CC)CC(=O)NCC[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC001096287568 1237118699 /nfs/dbraw/zinc/11/86/99/1237118699.db2.gz XFEPZMOZSWMXEP-UHFFFAOYSA-N 1 2 343.475 2.018 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096393390 1238179572 /nfs/dbraw/zinc/17/95/72/1238179572.db2.gz MKWFOSBHVMATSQ-OAHLLOKOSA-N 1 2 332.448 2.196 20 30 EEEDLO C=CCCOCCCCC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096438551 1239169396 /nfs/dbraw/zinc/16/93/96/1239169396.db2.gz SCHWTVIYEIDZDH-MRXNPFEDSA-N 1 2 332.448 2.243 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056518587 1239426722 /nfs/dbraw/zinc/42/67/22/1239426722.db2.gz NIBLKONAVUIZHG-USXIJHARSA-N 1 2 344.459 2.146 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+]2CC=C(CNC(=O)c3c[nH]c(C#N)c3)CC2)o1 ZINC001000600014 1240572287 /nfs/dbraw/zinc/57/22/87/1240572287.db2.gz NWONGKBEPYUULD-ZDUSSCGKSA-N 1 2 339.399 2.306 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+]2CC=C(CNC(=O)c3c[nH]c(C#N)c3)CC2)o1 ZINC001000600014 1240572291 /nfs/dbraw/zinc/57/22/91/1240572291.db2.gz NWONGKBEPYUULD-ZDUSSCGKSA-N 1 2 339.399 2.306 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CC12CCN(c1cc[nH+]c(C)n1)CC2 ZINC001096514859 1240748623 /nfs/dbraw/zinc/74/86/23/1240748623.db2.gz JMEHQQUQOYGVEJ-MRXNPFEDSA-N 1 2 344.459 2.243 20 30 EEEDLO Cc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)no1 ZINC001049426755 1240881615 /nfs/dbraw/zinc/88/16/15/1240881615.db2.gz YYJPYEIXOZNDMH-IRXDYDNUSA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1cc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)no1 ZINC001049426755 1240881620 /nfs/dbraw/zinc/88/16/20/1240881620.db2.gz YYJPYEIXOZNDMH-IRXDYDNUSA-N 1 2 339.399 2.062 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cnc3ccccn23)CC1 ZINC001000880776 1241118525 /nfs/dbraw/zinc/11/85/25/1241118525.db2.gz OXGRYYDJWCPAKP-UHFFFAOYSA-N 1 2 330.819 2.449 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cnc3ccccn23)CC1 ZINC001000880776 1241118521 /nfs/dbraw/zinc/11/85/21/1241118521.db2.gz OXGRYYDJWCPAKP-UHFFFAOYSA-N 1 2 330.819 2.449 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](N(C)c2[nH+]cnc3c2cnn3C)C1 ZINC001057014702 1241249205 /nfs/dbraw/zinc/24/92/05/1241249205.db2.gz UDERJKKOQHALPI-ACJLOTCBSA-N 1 2 342.447 2.003 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ncnn1CC ZINC001049637787 1241725948 /nfs/dbraw/zinc/72/59/48/1241725948.db2.gz YZHMQLFCHQXHRH-GJZGRUSLSA-N 1 2 331.464 2.076 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ncnn1CC ZINC001049637787 1241725953 /nfs/dbraw/zinc/72/59/53/1241725953.db2.gz YZHMQLFCHQXHRH-GJZGRUSLSA-N 1 2 331.464 2.076 20 30 EEEDLO Cc1nc(C[N@@H+]2C[C@@H]3CCCN(C(=O)C#CC4CC4)[C@@H]3C2)cs1 ZINC001050046304 1242713866 /nfs/dbraw/zinc/71/38/66/1242713866.db2.gz VQFOCOFNDYGTHQ-DOTOQJQBSA-N 1 2 329.469 2.288 20 30 EEEDLO Cc1nc(C[N@H+]2C[C@@H]3CCCN(C(=O)C#CC4CC4)[C@@H]3C2)cs1 ZINC001050046304 1242713879 /nfs/dbraw/zinc/71/38/79/1242713879.db2.gz VQFOCOFNDYGTHQ-DOTOQJQBSA-N 1 2 329.469 2.288 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H](Nc3[nH+]cnc4c3cnn4C)C2)CCC1 ZINC001096973800 1243509517 /nfs/dbraw/zinc/50/95/17/1243509517.db2.gz SEEHQSSOPSZXEF-ZDUSSCGKSA-N 1 2 340.431 2.123 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC)CCCCC1)C2 ZINC001111444499 1243829876 /nfs/dbraw/zinc/82/98/76/1243829876.db2.gz HHNFEQVJCYGYHV-ZACQAIPSSA-N 1 2 347.503 2.371 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC)CCCCC1)C2 ZINC001111444499 1243829883 /nfs/dbraw/zinc/82/98/83/1243829883.db2.gz HHNFEQVJCYGYHV-ZACQAIPSSA-N 1 2 347.503 2.371 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001097250348 1243895058 /nfs/dbraw/zinc/89/50/58/1243895058.db2.gz JWBLWONLRRNQPO-BWACUDIHSA-N 1 2 328.420 2.025 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001097322631 1243991293 /nfs/dbraw/zinc/99/12/93/1243991293.db2.gz YHLRZKCVWYHYGY-AWEZNQCLSA-N 1 2 342.447 2.052 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050991629 1244797047 /nfs/dbraw/zinc/79/70/47/1244797047.db2.gz BZOAMTTULHPUFI-LSDHHAIUSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050991629 1244797057 /nfs/dbraw/zinc/79/70/57/1244797057.db2.gz BZOAMTTULHPUFI-LSDHHAIUSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2cccc(OC)c21 ZINC001051151880 1245053623 /nfs/dbraw/zinc/05/36/23/1245053623.db2.gz DVFSCCMIIDHJKX-SJORKVTESA-N 1 2 344.455 2.118 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2cccc(OC)c21 ZINC001051151880 1245053628 /nfs/dbraw/zinc/05/36/28/1245053628.db2.gz DVFSCCMIIDHJKX-SJORKVTESA-N 1 2 344.455 2.118 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C12CC(C(F)(F)F)(C1)C2 ZINC001051256814 1245446762 /nfs/dbraw/zinc/44/67/62/1245446762.db2.gz AXZVPHXJQQQLTR-LRVUVFPRSA-N 1 2 332.366 2.112 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C12CC(C(F)(F)F)(C1)C2 ZINC001051256814 1245446765 /nfs/dbraw/zinc/44/67/65/1245446765.db2.gz AXZVPHXJQQQLTR-LRVUVFPRSA-N 1 2 332.366 2.112 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc(C(C)(C)C)nc1 ZINC001051270257 1245460891 /nfs/dbraw/zinc/46/08/91/1245460891.db2.gz FYNOHWKLINMFDM-INIZCTEOSA-N 1 2 346.475 2.171 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc(C(C)(C)C)nc1 ZINC001051270257 1245460893 /nfs/dbraw/zinc/46/08/93/1245460893.db2.gz FYNOHWKLINMFDM-INIZCTEOSA-N 1 2 346.475 2.171 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001101162927 1245469868 /nfs/dbraw/zinc/46/98/68/1245469868.db2.gz NWKNCUGIYMZGMG-QAPCUYQASA-N 1 2 331.464 2.106 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001101162927 1245469873 /nfs/dbraw/zinc/46/98/73/1245469873.db2.gz NWKNCUGIYMZGMG-QAPCUYQASA-N 1 2 331.464 2.106 20 30 EEEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3cnn(C)c3)cccc2C1 ZINC001051279258 1245470290 /nfs/dbraw/zinc/47/02/90/1245470290.db2.gz WTIUIKFRGPHCOH-UHFFFAOYSA-N 1 2 344.846 2.461 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3cnn(C)c3)cccc2C1 ZINC001051279258 1245470294 /nfs/dbraw/zinc/47/02/94/1245470294.db2.gz WTIUIKFRGPHCOH-UHFFFAOYSA-N 1 2 344.846 2.461 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@](C)(NC(C)=O)C(C)C)C2 ZINC001111480088 1245521851 /nfs/dbraw/zinc/52/18/51/1245521851.db2.gz FXCCGPWECJVUSJ-PNBKFKSVSA-N 1 2 341.883 2.011 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@](C)(NC(C)=O)C(C)C)C2 ZINC001111480088 1245521857 /nfs/dbraw/zinc/52/18/57/1245521857.db2.gz FXCCGPWECJVUSJ-PNBKFKSVSA-N 1 2 341.883 2.011 20 30 EEEDLO C=CCCCC(=O)NCCN(CCC)c1[nH+]cnc2c1cnn2C ZINC001101234263 1245552260 /nfs/dbraw/zinc/55/22/60/1245552260.db2.gz UHQKBUATGOMHOX-UHFFFAOYSA-N 1 2 330.436 2.052 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001101295972 1245624426 /nfs/dbraw/zinc/62/44/26/1245624426.db2.gz CEYPWAVZUAQDOM-HNNXBMFYSA-N 1 2 346.475 2.468 20 30 EEEDLO CC#CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001101336903 1245679599 /nfs/dbraw/zinc/67/95/99/1245679599.db2.gz ULOCMZBHPKGOHK-PBHICJAKSA-N 1 2 332.473 2.012 20 30 EEEDLO CC#CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001101336903 1245679607 /nfs/dbraw/zinc/67/96/07/1245679607.db2.gz ULOCMZBHPKGOHK-PBHICJAKSA-N 1 2 332.473 2.012 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001101338162 1245682530 /nfs/dbraw/zinc/68/25/30/1245682530.db2.gz ZHHYRYOVPHDWCC-VBQJREDUSA-N 1 2 334.489 2.421 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001101338162 1245682534 /nfs/dbraw/zinc/68/25/34/1245682534.db2.gz ZHHYRYOVPHDWCC-VBQJREDUSA-N 1 2 334.489 2.421 20 30 EEEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001101346925 1245692817 /nfs/dbraw/zinc/69/28/17/1245692817.db2.gz NJTDLMACAOSHPH-APWZRJJASA-N 1 2 345.491 2.496 20 30 EEEDLO C=CCCCC(=O)N1C[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001101346925 1245692821 /nfs/dbraw/zinc/69/28/21/1245692821.db2.gz NJTDLMACAOSHPH-APWZRJJASA-N 1 2 345.491 2.496 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H](C)[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053131613 1245959263 /nfs/dbraw/zinc/95/92/63/1245959263.db2.gz GKMPIPUMUHPOHP-GJZGRUSLSA-N 1 2 346.475 2.155 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H](C)[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053131613 1245959269 /nfs/dbraw/zinc/95/92/69/1245959269.db2.gz GKMPIPUMUHPOHP-GJZGRUSLSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001053136542 1245966426 /nfs/dbraw/zinc/96/64/26/1245966426.db2.gz BWFRKDLUCAXHLG-HZPDHXFCSA-N 1 2 346.475 2.086 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC2(C[NH+](C[C@@H](F)CC)C2)n2ccnc21 ZINC001101640163 1246071839 /nfs/dbraw/zinc/07/18/39/1246071839.db2.gz YGNNSOBEVVGJPE-KBPBESRZSA-N 1 2 334.439 2.415 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H](C)C(F)(F)F)c1nccn12 ZINC001101640720 1246072685 /nfs/dbraw/zinc/07/26/85/1246072685.db2.gz DTGANSKRYCPHGA-VXGBXAGGSA-N 1 2 342.365 2.230 20 30 EEEDLO CN(CCNc1cccc(F)c1C#N)C(=O)CCCn1cc[nH+]c1 ZINC001101663226 1246095202 /nfs/dbraw/zinc/09/52/02/1246095202.db2.gz XAZYNFZWGGCBFL-UHFFFAOYSA-N 1 2 329.379 2.245 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1cc(C)c(Cl)cn1)CCO2 ZINC001053304186 1246160852 /nfs/dbraw/zinc/16/08/52/1246160852.db2.gz FNDVGPIWLJZVEW-UHFFFAOYSA-N 1 2 349.862 2.075 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc3ccccn3c1)CCO2 ZINC001053454108 1246348646 /nfs/dbraw/zinc/34/86/46/1246348646.db2.gz RGDDCUJOPFYKFF-UHFFFAOYSA-N 1 2 325.412 2.042 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCC3(C)C)C2)CC1 ZINC001052064039 1246434011 /nfs/dbraw/zinc/43/40/11/1246434011.db2.gz BDODLZOKYHGZKO-HOTGVXAUSA-N 1 2 339.911 2.394 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(Cc3ccns3)CC2)C1 ZINC001052063567 1246434165 /nfs/dbraw/zinc/43/41/65/1246434165.db2.gz WGQNYTYSJHVXGC-HNNXBMFYSA-N 1 2 348.516 2.074 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(CC)c(CC)o3)C2)CC1 ZINC001052108964 1246488555 /nfs/dbraw/zinc/48/85/55/1246488555.db2.gz UXOFAYILFOLBRK-QGZVFWFLSA-N 1 2 345.487 2.423 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H](C)n3cccc3)C2)CC1 ZINC001052109829 1246489707 /nfs/dbraw/zinc/48/97/07/1246489707.db2.gz HYWVXMOSDVRHCW-RBUKOAKNSA-N 1 2 344.503 2.234 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C)c(CC)o3)C2)CC1 ZINC001052109173 1246490463 /nfs/dbraw/zinc/49/04/63/1246490463.db2.gz XOKGZHLUCOVTRK-MRXNPFEDSA-N 1 2 331.460 2.169 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)c3ccccc3)C2)CC1 ZINC001052110436 1246490868 /nfs/dbraw/zinc/49/08/68/1246490868.db2.gz QWQYYFJKGYENKE-UYAOXDASSA-N 1 2 339.483 2.032 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc4ccccc43)C2)CC1 ZINC001052115455 1246498617 /nfs/dbraw/zinc/49/86/17/1246498617.db2.gz WKHGEHKITZHSIP-IBGZPJMESA-N 1 2 347.462 2.305 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)O2 ZINC001053621213 1246545724 /nfs/dbraw/zinc/54/57/24/1246545724.db2.gz CEFSBCQKYCTPRL-AWEZNQCLSA-N 1 2 346.475 2.247 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C)cc(OC)c1C)O2 ZINC001053624175 1246548715 /nfs/dbraw/zinc/54/87/15/1246548715.db2.gz LGFWNDFYAGSSMD-INIZCTEOSA-N 1 2 344.455 2.461 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3sccc3[nH]1)O2 ZINC001053687897 1246653190 /nfs/dbraw/zinc/65/31/90/1246653190.db2.gz DERHBKASYSJRKE-LBPRGKRZSA-N 1 2 331.441 2.379 20 30 EEEDLO C[C@H](c1csnn1)[N@@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052290326 1246906128 /nfs/dbraw/zinc/90/61/28/1246906128.db2.gz NUNBWYKQCRBNRA-DGCLKSJQSA-N 1 2 344.444 2.083 20 30 EEEDLO C[C@H](c1csnn1)[N@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052290326 1246906137 /nfs/dbraw/zinc/90/61/37/1246906137.db2.gz NUNBWYKQCRBNRA-DGCLKSJQSA-N 1 2 344.444 2.083 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc3ccccc31)CO2 ZINC001053865339 1246934179 /nfs/dbraw/zinc/93/41/79/1246934179.db2.gz WZGZHJQJHOHYIB-OAHLLOKOSA-N 1 2 337.423 2.384 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)c1c(F)cccc1F)CO2 ZINC001053871417 1246946416 /nfs/dbraw/zinc/94/64/16/1246946416.db2.gz FMMXMCYKUGINQN-KGLIPLIRSA-N 1 2 348.393 2.051 20 30 EEEDLO C=CCCC1(C(=O)N(C)CCCN(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001068094037 1250296463 /nfs/dbraw/zinc/29/64/63/1250296463.db2.gz SIPSDJGJLWMCOJ-UHFFFAOYSA-N 1 2 332.448 2.006 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1[C@@H]3CCCCCC[C@@H]31)CO2 ZINC001053938626 1247036731 /nfs/dbraw/zinc/03/67/31/1247036731.db2.gz WGYPUZRNNXZFIB-WNRNVDISSA-N 1 2 330.472 2.186 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccc(CC)cc1)CO2 ZINC001053940681 1247041277 /nfs/dbraw/zinc/04/12/77/1247041277.db2.gz JJJPAMVWLGEVGY-SFHVURJKSA-N 1 2 328.456 2.327 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)nn(CCC)c1C)CO2 ZINC001053976623 1247095122 /nfs/dbraw/zinc/09/51/22/1247095122.db2.gz WTUPAFIJXYRFDK-INIZCTEOSA-N 1 2 346.475 2.059 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(F)nc1 ZINC001054034776 1247185442 /nfs/dbraw/zinc/18/54/42/1247185442.db2.gz YTRHUGDCCRUMRO-GOSISDBHSA-N 1 2 337.398 2.401 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(F)nc1 ZINC001054034776 1247185444 /nfs/dbraw/zinc/18/54/44/1247185444.db2.gz YTRHUGDCCRUMRO-GOSISDBHSA-N 1 2 337.398 2.401 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C)nnc1CC ZINC001054045320 1247219464 /nfs/dbraw/zinc/21/94/64/1247219464.db2.gz OEDYOWUSLLKAOR-GOSISDBHSA-N 1 2 348.450 2.137 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C)nnc1CC ZINC001054045320 1247219471 /nfs/dbraw/zinc/21/94/71/1247219471.db2.gz OEDYOWUSLLKAOR-GOSISDBHSA-N 1 2 348.450 2.137 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3c4ccccc4nn3C)cc2C1 ZINC001054288423 1248017722 /nfs/dbraw/zinc/01/77/22/1248017722.db2.gz WRZJITLIPKWWAJ-UHFFFAOYSA-N 1 2 344.418 2.452 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3c4ccccc4nn3C)cc2C1 ZINC001054288423 1248017732 /nfs/dbraw/zinc/01/77/32/1248017732.db2.gz WRZJITLIPKWWAJ-UHFFFAOYSA-N 1 2 344.418 2.452 20 30 EEEDLO C[C@@H](Nc1ncccc1C#N)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001058013959 1248276780 /nfs/dbraw/zinc/27/67/80/1248276780.db2.gz GKDKURGKZQGGIF-GDBMZVCRSA-N 1 2 338.415 2.031 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](Nc2cccc(F)c2C#N)[C@H]1C ZINC001068872088 1251824329 /nfs/dbraw/zinc/82/43/29/1251824329.db2.gz FCQFALPIYNXZLB-IUODEOHRSA-N 1 2 341.390 2.373 20 30 EEEDLO Cc1nsc(N[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C)c1C#N ZINC001068971311 1252021983 /nfs/dbraw/zinc/02/19/83/1252021983.db2.gz GFTOBWPQELQXPO-SMDDNHRTSA-N 1 2 344.444 2.080 20 30 EEEDLO Cc1nsc(N[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C)c1C#N ZINC001068971311 1252021993 /nfs/dbraw/zinc/02/19/93/1252021993.db2.gz GFTOBWPQELQXPO-SMDDNHRTSA-N 1 2 344.444 2.080 20 30 EEEDLO Cc1nsc(N[C@H]2C[C@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)c1C#N ZINC001069220850 1252502981 /nfs/dbraw/zinc/50/29/81/1252502981.db2.gz FQQKGSRVIIRPMW-GWCFXTLKSA-N 1 2 344.444 2.080 20 30 EEEDLO Cc1nsc(N[C@H]2C[C@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)c1C#N ZINC001069220850 1252502984 /nfs/dbraw/zinc/50/29/84/1252502984.db2.gz FQQKGSRVIIRPMW-GWCFXTLKSA-N 1 2 344.444 2.080 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)C2CCN(c3cc[nH+]c(C)n3)CC2)nc1 ZINC001069648115 1253088303 /nfs/dbraw/zinc/08/83/03/1253088303.db2.gz JBRSJMJPQGELHL-CQSZACIVSA-N 1 2 349.438 2.196 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001070740831 1253757088 /nfs/dbraw/zinc/75/70/88/1253757088.db2.gz LFLQINUGIPZPBJ-OAHLLOKOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001070740831 1253757098 /nfs/dbraw/zinc/75/70/98/1253757098.db2.gz LFLQINUGIPZPBJ-OAHLLOKOSA-N 1 2 332.448 2.052 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)c2cn[nH]c2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001071371911 1254130225 /nfs/dbraw/zinc/13/02/25/1254130225.db2.gz VYRXIOUHSLSIRF-WBMJQRKESA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)c2cn[nH]c2)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001071371911 1254130234 /nfs/dbraw/zinc/13/02/34/1254130234.db2.gz VYRXIOUHSLSIRF-WBMJQRKESA-N 1 2 341.390 2.203 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nc3cccnc3s2)CC[C@H]1C ZINC001071571296 1254351920 /nfs/dbraw/zinc/35/19/20/1254351920.db2.gz CRUUSOZTXLRIRR-OLZOCXBDSA-N 1 2 328.441 2.297 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2nc3cccnc3s2)CC[C@H]1C ZINC001071571296 1254351931 /nfs/dbraw/zinc/35/19/31/1254351931.db2.gz CRUUSOZTXLRIRR-OLZOCXBDSA-N 1 2 328.441 2.297 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccn(C)n3)C2)cc1 ZINC001071732419 1254589273 /nfs/dbraw/zinc/58/92/73/1254589273.db2.gz UQOFHHSYBHWJIV-CRAIPNDOSA-N 1 2 336.439 2.184 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ccn(C)n3)C2)cc1 ZINC001071732419 1254589289 /nfs/dbraw/zinc/58/92/89/1254589289.db2.gz UQOFHHSYBHWJIV-CRAIPNDOSA-N 1 2 336.439 2.184 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1cscn1)C2 ZINC001072747304 1255340891 /nfs/dbraw/zinc/34/08/91/1255340891.db2.gz GOOKYPOGJQPGPD-CVEARBPZSA-N 1 2 347.484 2.159 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1cscn1)C2 ZINC001072747304 1255340901 /nfs/dbraw/zinc/34/09/01/1255340901.db2.gz GOOKYPOGJQPGPD-CVEARBPZSA-N 1 2 347.484 2.159 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC(C)(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001073034262 1255591723 /nfs/dbraw/zinc/59/17/23/1255591723.db2.gz KBWTUTRSKPBZHW-UHFFFAOYSA-N 1 2 346.475 2.062 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001074098514 1256707665 /nfs/dbraw/zinc/70/76/65/1256707665.db2.gz HNERHQSFDNYJHQ-CVEARBPZSA-N 1 2 346.475 2.229 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001074150552 1256751804 /nfs/dbraw/zinc/75/18/04/1256751804.db2.gz YTLCNDABGWAMGW-ZBFHGGJFSA-N 1 2 344.459 2.074 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3)C[C@@H]21 ZINC001074392605 1256972160 /nfs/dbraw/zinc/97/21/60/1256972160.db2.gz MFCUHAWGIKFZCU-RBUKOAKNSA-N 1 2 344.455 2.116 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3)C[C@@H]21 ZINC001074392605 1256972163 /nfs/dbraw/zinc/97/21/63/1256972163.db2.gz MFCUHAWGIKFZCU-RBUKOAKNSA-N 1 2 344.455 2.116 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccccc3F)C[C@H]21 ZINC001074397116 1256979428 /nfs/dbraw/zinc/97/94/28/1256979428.db2.gz CCHOGLBBNMMCFG-MSOLQXFVSA-N 1 2 332.419 2.246 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccccc3F)C[C@H]21 ZINC001074397116 1256979434 /nfs/dbraw/zinc/97/94/34/1256979434.db2.gz CCHOGLBBNMMCFG-MSOLQXFVSA-N 1 2 332.419 2.246 20 30 EEEDLO N#Cc1ccc(N[C@@H]2CCC[C@H](NC(=O)CCc3[nH]cc[nH+]3)C2)nc1 ZINC001098616430 1257724919 /nfs/dbraw/zinc/72/49/19/1257724919.db2.gz FAQOUUNBWCHTBO-CABCVRRESA-N 1 2 338.415 2.148 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC001099855754 1258423419 /nfs/dbraw/zinc/42/34/19/1258423419.db2.gz MRIPVTDQKNAYKW-ROUUACIJSA-N 1 2 345.418 2.105 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC001099855754 1258423425 /nfs/dbraw/zinc/42/34/25/1258423425.db2.gz MRIPVTDQKNAYKW-ROUUACIJSA-N 1 2 345.418 2.105 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)cn3)C[C@H]2O)CCC1 ZINC001099998479 1258483847 /nfs/dbraw/zinc/48/38/47/1258483847.db2.gz HSGBWPWXRLWVGK-IAGOWNOFSA-N 1 2 347.434 2.019 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)cn3)C[C@H]2O)CCC1 ZINC001099998479 1258483851 /nfs/dbraw/zinc/48/38/51/1258483851.db2.gz HSGBWPWXRLWVGK-IAGOWNOFSA-N 1 2 347.434 2.019 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001100792133 1259263292 /nfs/dbraw/zinc/26/32/92/1259263292.db2.gz FFNRGCMUYHZTOA-NVXWUHKLSA-N 1 2 346.475 2.468 20 30 EEEDLO CC[C@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110368832 1278773678 /nfs/dbraw/zinc/77/36/78/1278773678.db2.gz OPCSOQPUEHFGKR-BGTYHANMSA-N 1 2 345.418 2.344 20 30 EEEDLO CC[C@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110368832 1278773684 /nfs/dbraw/zinc/77/36/84/1278773684.db2.gz OPCSOQPUEHFGKR-BGTYHANMSA-N 1 2 345.418 2.344 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H](C)C(CC)CC)C2)nn1 ZINC001185963737 1278894165 /nfs/dbraw/zinc/89/41/65/1278894165.db2.gz SYMDTCDODNKDBX-MAUKXSAKSA-N 1 2 345.491 2.237 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)C3(C)CCCC3)C2)nn1 ZINC001185973934 1278899156 /nfs/dbraw/zinc/89/91/56/1278899156.db2.gz DQSLYAIJIUGZMC-KRWDZBQOSA-N 1 2 343.475 2.135 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H](n3cc(C[NH2+]CCF)nn3)C2)CC1 ZINC001185998984 1278919175 /nfs/dbraw/zinc/91/91/75/1278919175.db2.gz FNUVLKVAWZYHCV-QGZVFWFLSA-N 1 2 349.454 2.247 20 30 EEEDLO C=C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1)c1ccccc1 ZINC001188039553 1279739373 /nfs/dbraw/zinc/73/93/73/1279739373.db2.gz FOWXBZKNQKPSOU-DOTOQJQBSA-N 1 2 340.427 2.428 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)OCC)C1 ZINC001189189557 1280166184 /nfs/dbraw/zinc/16/61/84/1280166184.db2.gz SOMPCCOJQKSCAP-CHWSQXEVSA-N 1 2 333.270 2.243 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)OCC)C1 ZINC001189189557 1280166190 /nfs/dbraw/zinc/16/61/90/1280166190.db2.gz SOMPCCOJQKSCAP-CHWSQXEVSA-N 1 2 333.270 2.243 20 30 EEEDLO Cc1ncc(C(=O)N2CC[C@H]([N@H+](C)CC#Cc3ccc(F)cc3)C2)[nH]1 ZINC001189369603 1280270190 /nfs/dbraw/zinc/27/01/90/1280270190.db2.gz FBYABBOJULROLR-KRWDZBQOSA-N 1 2 340.402 2.055 20 30 EEEDLO Cc1ncc(C(=O)N2CC[C@H]([N@@H+](C)CC#Cc3ccc(F)cc3)C2)[nH]1 ZINC001189369603 1280270195 /nfs/dbraw/zinc/27/01/95/1280270195.db2.gz FBYABBOJULROLR-KRWDZBQOSA-N 1 2 340.402 2.055 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)sc2C)C1 ZINC001189918867 1280557885 /nfs/dbraw/zinc/55/78/85/1280557885.db2.gz VRWHWXRXIRZPHS-PBHICJAKSA-N 1 2 337.489 2.120 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)sc2C)C1 ZINC001189918867 1280557895 /nfs/dbraw/zinc/55/78/95/1280557895.db2.gz VRWHWXRXIRZPHS-PBHICJAKSA-N 1 2 337.489 2.120 20 30 EEEDLO CCc1noc([C@H](C)[N@H+](C)[C@H]2CCN(C(=O)C#CC(C)(C)C)C2)n1 ZINC001190084752 1280670010 /nfs/dbraw/zinc/67/00/10/1280670010.db2.gz RRLDWZZCYKPVCR-KBPBESRZSA-N 1 2 332.448 2.275 20 30 EEEDLO CCc1noc([C@H](C)[N@@H+](C)[C@H]2CCN(C(=O)C#CC(C)(C)C)C2)n1 ZINC001190084752 1280670016 /nfs/dbraw/zinc/67/00/16/1280670016.db2.gz RRLDWZZCYKPVCR-KBPBESRZSA-N 1 2 332.448 2.275 20 30 EEEDLO CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc(C#N)c1F ZINC001190555339 1280947223 /nfs/dbraw/zinc/94/72/23/1280947223.db2.gz VYLJFWUACLKSMQ-HNNXBMFYSA-N 1 2 333.407 2.174 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@H+](C)CC(=O)Nc2cc(C)on2)C1 ZINC001191868621 1281676080 /nfs/dbraw/zinc/67/60/80/1281676080.db2.gz XAUHLVOOBYUADF-ZFWWWQNUSA-N 1 2 348.447 2.057 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(C)on2)C1 ZINC001191868621 1281676093 /nfs/dbraw/zinc/67/60/93/1281676093.db2.gz XAUHLVOOBYUADF-ZFWWWQNUSA-N 1 2 348.447 2.057 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2[nH]nc3ccc(F)cc32)C1=O ZINC001273641309 1282048042 /nfs/dbraw/zinc/04/80/42/1282048042.db2.gz DJHSNYUQHKAJPS-GOSISDBHSA-N 1 2 328.391 2.455 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2[nH]nc3ccc(F)cc32)C1=O ZINC001273641309 1282048053 /nfs/dbraw/zinc/04/80/53/1282048053.db2.gz DJHSNYUQHKAJPS-GOSISDBHSA-N 1 2 328.391 2.455 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3nocc3C)C2)CCOCC1 ZINC001193745660 1282684279 /nfs/dbraw/zinc/68/42/79/1282684279.db2.gz JZIXYZPCAZHVEV-MRXNPFEDSA-N 1 2 347.459 2.389 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3nocc3C)C2)CCOCC1 ZINC001193745660 1282684295 /nfs/dbraw/zinc/68/42/95/1282684295.db2.gz JZIXYZPCAZHVEV-MRXNPFEDSA-N 1 2 347.459 2.389 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2oc(C(C)C)nc2C)C[C@H]1O ZINC001195254964 1283502097 /nfs/dbraw/zinc/50/20/97/1283502097.db2.gz LUWBEHYZMFOEJC-HUUCEWRRSA-N 1 2 349.475 2.370 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2oc(C(C)C)nc2C)C[C@H]1O ZINC001195254964 1283502103 /nfs/dbraw/zinc/50/21/03/1283502103.db2.gz LUWBEHYZMFOEJC-HUUCEWRRSA-N 1 2 349.475 2.370 20 30 EEEDLO C=CCCOCCCCC(=O)N1CCC[N@@H+](Cc2cncn2C)CC1 ZINC001195838821 1283780763 /nfs/dbraw/zinc/78/07/63/1283780763.db2.gz DSVXOBXWYBBBKZ-UHFFFAOYSA-N 1 2 348.491 2.217 20 30 EEEDLO C=CCCOCCCCC(=O)N1CCC[N@H+](Cc2cncn2C)CC1 ZINC001195838821 1283780771 /nfs/dbraw/zinc/78/07/71/1283780771.db2.gz DSVXOBXWYBBBKZ-UHFFFAOYSA-N 1 2 348.491 2.217 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[N@@H+](CC(=O)N[C@@H](C)C2CC2)CC1 ZINC001195982157 1283832463 /nfs/dbraw/zinc/83/24/63/1283832463.db2.gz OMXDBXIBZVIXCI-HNNXBMFYSA-N 1 2 335.492 2.038 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[N@H+](CC(=O)N[C@@H](C)C2CC2)CC1 ZINC001195982157 1283832473 /nfs/dbraw/zinc/83/24/73/1283832473.db2.gz OMXDBXIBZVIXCI-HNNXBMFYSA-N 1 2 335.492 2.038 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)N[C@@H](C)C(C)C)CC1 ZINC001197291429 1284551172 /nfs/dbraw/zinc/55/11/72/1284551172.db2.gz DZPGLPINMPTFRY-INIZCTEOSA-N 1 2 337.508 2.284 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+](CC(=O)N[C@@H](C)C(C)C)CC1 ZINC001197291429 1284551178 /nfs/dbraw/zinc/55/11/78/1284551178.db2.gz DZPGLPINMPTFRY-INIZCTEOSA-N 1 2 337.508 2.284 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)sc1C ZINC001110501873 1284989605 /nfs/dbraw/zinc/98/96/05/1284989605.db2.gz AEBWKASKZONTRC-DEICHXMPSA-N 1 2 349.500 2.309 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)sc1C ZINC001110501873 1284989612 /nfs/dbraw/zinc/98/96/12/1284989612.db2.gz AEBWKASKZONTRC-DEICHXMPSA-N 1 2 349.500 2.309 20 30 EEEDLO CCOc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC2CC2)C3)n1 ZINC001110531514 1285621276 /nfs/dbraw/zinc/62/12/76/1285621276.db2.gz BEHMJQLSOFCCQY-KURKYZTESA-N 1 2 339.439 2.115 20 30 EEEDLO CCOc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC2CC2)C3)n1 ZINC001110531514 1285621295 /nfs/dbraw/zinc/62/12/95/1285621295.db2.gz BEHMJQLSOFCCQY-KURKYZTESA-N 1 2 339.439 2.115 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3cccc(F)c3F)c2C1 ZINC001069871288 1286197341 /nfs/dbraw/zinc/19/73/41/1286197341.db2.gz WKNCUDIGSXLRRU-UHFFFAOYSA-N 1 2 346.381 2.483 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3cccc(F)c3F)c2C1 ZINC001069871288 1286197343 /nfs/dbraw/zinc/19/73/43/1286197343.db2.gz WKNCUDIGSXLRRU-UHFFFAOYSA-N 1 2 346.381 2.483 20 30 EEEDLO C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)Nc1cccc(F)c1C#N ZINC001098125738 1286516045 /nfs/dbraw/zinc/51/60/45/1286516045.db2.gz MAYVJXKOMJOIOY-CHWSQXEVSA-N 1 2 341.390 2.073 20 30 EEEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001070994044 1286679477 /nfs/dbraw/zinc/67/94/77/1286679477.db2.gz ZNOKCKTVIBILHC-DLBZAZTESA-N 1 2 335.492 2.039 20 30 EEEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001070994044 1286679484 /nfs/dbraw/zinc/67/94/84/1286679484.db2.gz ZNOKCKTVIBILHC-DLBZAZTESA-N 1 2 335.492 2.039 20 30 EEEDLO CC(=O)N1C[C@H](C)O[C@]2(CC[N@H+](CC#Cc3ccccc3Cl)C2)C1 ZINC001071113636 1286797433 /nfs/dbraw/zinc/79/74/33/1286797433.db2.gz LEPGVXGMTICCLV-KXBFYZLASA-N 1 2 346.858 2.403 20 30 EEEDLO CC(=O)N1C[C@H](C)O[C@]2(CC[N@@H+](CC#Cc3ccccc3Cl)C2)C1 ZINC001071113636 1286797443 /nfs/dbraw/zinc/79/74/43/1286797443.db2.gz LEPGVXGMTICCLV-KXBFYZLASA-N 1 2 346.858 2.403 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@]2(C1)CN(C(=O)C(C)C)C[C@H](C)O2 ZINC001071134670 1286830645 /nfs/dbraw/zinc/83/06/45/1286830645.db2.gz VVLFMDSWFCJQDC-ZFWWWQNUSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C(C)C)C[C@H](C)O2 ZINC001071134670 1286830661 /nfs/dbraw/zinc/83/06/61/1286830661.db2.gz VVLFMDSWFCJQDC-ZFWWWQNUSA-N 1 2 345.281 2.243 20 30 EEEDLO C#CCN(C(=O)[C@H](C)CSC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110623544 1291766658 /nfs/dbraw/zinc/76/66/58/1291766658.db2.gz SGKGUMHXPSLZKK-CQSZACIVSA-N 1 2 346.500 2.215 20 30 EEEDLO C=CCc1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc(OC)c1OC ZINC000857941336 1293960235 /nfs/dbraw/zinc/96/02/35/1293960235.db2.gz DIQAEGGUZYVELF-HNNXBMFYSA-N 1 2 341.411 2.374 20 30 EEEDLO C#CC[C@@H](CCOC)NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000859028024 1294296156 /nfs/dbraw/zinc/29/61/56/1294296156.db2.gz KEPREOOITAIWRM-HNNXBMFYSA-N 1 2 335.473 2.004 20 30 EEEDLO C[C@H](C[N@H+](C)CC(=O)Nc1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000860094860 1294807204 /nfs/dbraw/zinc/80/72/04/1294807204.db2.gz NQBZPXFZJFEQNY-CYBMUJFWSA-N 1 2 346.431 2.342 20 30 EEEDLO C[C@H](C[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000860094860 1294807220 /nfs/dbraw/zinc/80/72/20/1294807220.db2.gz NQBZPXFZJFEQNY-CYBMUJFWSA-N 1 2 346.431 2.342 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccns3)C2)c1 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/nfs/dbraw/zinc/10/01/21/1295100121.db2.gz ANVGIGROICPTJD-UONOGXRCSA-N 1 2 347.850 2.373 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC(C)C)CCC1)C2 ZINC001110799228 1295388326 /nfs/dbraw/zinc/38/83/26/1295388326.db2.gz GCJOWVTVIBEZRN-ZACQAIPSSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC(C)C)CCC1)C2 ZINC001110799228 1295388339 /nfs/dbraw/zinc/38/83/39/1295388339.db2.gz GCJOWVTVIBEZRN-ZACQAIPSSA-N 1 2 347.503 2.227 20 30 EEEDLO C#CCC[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000861521020 1295433138 /nfs/dbraw/zinc/43/31/38/1295433138.db2.gz CHIRZMKVCAVBCD-SJORKVTESA-N 1 2 334.847 2.195 20 30 EEEDLO C#CCC[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000861521020 1295433143 /nfs/dbraw/zinc/43/31/43/1295433143.db2.gz CHIRZMKVCAVBCD-SJORKVTESA-N 1 2 334.847 2.195 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@]1(C)CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001110803884 1295485619 /nfs/dbraw/zinc/48/56/19/1295485619.db2.gz 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341.415 2.314 20 30 EEEDLO Cc1cccc(-c2nnc([C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)C#N)o2)c1 ZINC001492217038 1331092789 /nfs/dbraw/zinc/09/27/89/1331092789.db2.gz IVUZQAVOSBRVTE-UONOGXRCSA-N 1 2 341.415 2.314 20 30 EEEDLO Cc1nc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)c2ccccn12 ZINC001492336835 1331166141 /nfs/dbraw/zinc/16/61/41/1331166141.db2.gz FINQQYLTJBXHKS-UHFFFAOYSA-N 1 2 347.422 2.376 20 30 EEEDLO Cc1nc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)c2ccccn12 ZINC001492336835 1331166146 /nfs/dbraw/zinc/16/61/46/1331166146.db2.gz FINQQYLTJBXHKS-UHFFFAOYSA-N 1 2 347.422 2.376 20 30 EEEDLO C=C(C)CN(CC)C(=O)C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001336413201 1336539244 /nfs/dbraw/zinc/53/92/44/1336539244.db2.gz GTYSDMDIPQXTNS-QGZVFWFLSA-N 1 2 343.471 2.316 20 30 EEEDLO C=CC(C)(C)Cc1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1C ZINC001338015577 1336775343 /nfs/dbraw/zinc/77/53/43/1336775343.db2.gz PMJVUJFBJXOYFX-UHFFFAOYSA-N 1 2 344.463 2.188 20 30 EEEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](O)c1c(C)nn(C)c1C ZINC001338175937 1336808815 /nfs/dbraw/zinc/80/88/15/1336808815.db2.gz AGYYHETVQRUUQP-OAHLLOKOSA-N 1 2 328.416 2.370 20 30 EEEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)CC1CCOCC1 ZINC001341867941 1337303182 /nfs/dbraw/zinc/30/31/82/1337303182.db2.gz HACVCVNFCWZHEE-UHFFFAOYSA-N 1 2 344.463 2.041 20 30 EEEDLO C=CCC1(O)CC[NH+](CN2CCN(C(=O)OC(C)(C)C)C2=O)CC1 ZINC001349952006 1337660148 /nfs/dbraw/zinc/66/01/48/1337660148.db2.gz RDOJNPPJWRRSIC-UHFFFAOYSA-N 1 2 339.436 2.020 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)CCc1cnccn1 ZINC001351616793 1337831775 /nfs/dbraw/zinc/83/17/75/1337831775.db2.gz SWMMIYZRCYJIHJ-MRXNPFEDSA-N 1 2 341.463 2.090 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)CCc1cnccn1 ZINC001351616793 1337831778 /nfs/dbraw/zinc/83/17/78/1337831778.db2.gz SWMMIYZRCYJIHJ-MRXNPFEDSA-N 1 2 341.463 2.090 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CC[N@@H+](CC(=C)Cl)C[C@H]2O)CCCCC1 ZINC001100137453 1338058269 /nfs/dbraw/zinc/05/82/69/1338058269.db2.gz ZZQBIMFRIIRRHJ-HZPDHXFCSA-N 1 2 338.879 2.264 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CC[N@H+](CC(=C)Cl)C[C@H]2O)CCCCC1 ZINC001100137453 1338058272 /nfs/dbraw/zinc/05/82/72/1338058272.db2.gz ZZQBIMFRIIRRHJ-HZPDHXFCSA-N 1 2 338.879 2.264 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCCCCc2c[nH]nn2)C1 ZINC001575052990 1343725339 /nfs/dbraw/zinc/72/53/39/1343725339.db2.gz CHOFTGDOTRKIGJ-HNNXBMFYSA-N 1 2 339.871 2.193 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCCCCc2c[nH]nn2)C1 ZINC001575052990 1343725341 /nfs/dbraw/zinc/72/53/41/1343725341.db2.gz CHOFTGDOTRKIGJ-HNNXBMFYSA-N 1 2 339.871 2.193 20 30 EEEDLO C=CCC1(C(=O)N2CCC([C@@H](C)[NH2+]Cc3c[nH]nn3)CC2)CCC1 ZINC001575085556 1343731837 /nfs/dbraw/zinc/73/18/37/1343731837.db2.gz NTCXTGZKTRAZFY-CQSZACIVSA-N 1 2 331.464 2.268 20 30 EEEDLO C=CCC1(C(=O)N2CCC([C@@H](C)[NH2+]Cc3cn[nH]n3)CC2)CCC1 ZINC001575085556 1343731839 /nfs/dbraw/zinc/73/18/39/1343731839.db2.gz NTCXTGZKTRAZFY-CQSZACIVSA-N 1 2 331.464 2.268 20 30 EEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H](CC)C(=O)OCC ZINC001602858214 1350597028 /nfs/dbraw/zinc/59/70/28/1350597028.db2.gz JYIFHIICOQNPMQ-OAHLLOKOSA-N 1 2 329.404 2.196 20 30 EEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H](CC)C(=O)OCC ZINC001602858214 1350597031 /nfs/dbraw/zinc/59/70/31/1350597031.db2.gz JYIFHIICOQNPMQ-OAHLLOKOSA-N 1 2 329.404 2.196 20 30 EEEDLO COc1ccc([C@@H](NC[C@H](O)C[N@H+](C)CCC#N)C(F)(F)F)cc1 ZINC001646522037 1352862235 /nfs/dbraw/zinc/86/22/35/1352862235.db2.gz HQLOLAYBAODOGK-DZGCQCFKSA-N 1 2 345.365 2.095 20 30 EEEDLO COc1ccc([C@@H](NC[C@H](O)C[N@@H+](C)CCC#N)C(F)(F)F)cc1 ZINC001646522037 1352862240 /nfs/dbraw/zinc/86/22/40/1352862240.db2.gz HQLOLAYBAODOGK-DZGCQCFKSA-N 1 2 345.365 2.095 20 30 EEEDLO Cn1c[nH+]cc1C1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC001650254401 1353799755 /nfs/dbraw/zinc/79/97/55/1353799755.db2.gz OKHKOWUOZHSIIN-GOSISDBHSA-N 1 2 347.422 2.380 20 30 EEEDLO Cc1cc(C)c(C(=O)NC[C@H](NC(=O)[C@H](C)C#N)C(C)C)c(C)[nH+]1 ZINC001388930246 1387816430 /nfs/dbraw/zinc/81/64/30/1387816430.db2.gz GWAHTFMZSBYZDW-DOMZBBRYSA-N 1 2 330.432 2.037 20 30 EEEDLO CC[C@@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110368895 1368167718 /nfs/dbraw/zinc/16/77/18/1368167718.db2.gz QLGJJSOZVDHZOE-NRSFXHEJSA-N 1 2 345.418 2.344 20 30 EEEDLO CC[C@@H](OC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110368895 1368167724 /nfs/dbraw/zinc/16/77/24/1368167724.db2.gz QLGJJSOZVDHZOE-NRSFXHEJSA-N 1 2 345.418 2.344 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@H]1O ZINC001195312572 1368517178 /nfs/dbraw/zinc/51/71/78/1368517178.db2.gz RCRVXDHKQMNPRN-HFBAOOFYSA-N 1 2 338.398 2.399 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@H]1O ZINC001195312572 1368517182 /nfs/dbraw/zinc/51/71/82/1368517182.db2.gz RCRVXDHKQMNPRN-HFBAOOFYSA-N 1 2 338.398 2.399 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2occc2C(C)C)CC1 ZINC001196910017 1368608045 /nfs/dbraw/zinc/60/80/45/1368608045.db2.gz JKQGZADKGCWLBI-OAHLLOKOSA-N 1 2 347.459 2.242 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2occc2C(C)C)CC1 ZINC001196910017 1368608047 /nfs/dbraw/zinc/60/80/47/1368608047.db2.gz JKQGZADKGCWLBI-OAHLLOKOSA-N 1 2 347.459 2.242 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ncc(OC)cc1Cl ZINC001273809509 1368709584 /nfs/dbraw/zinc/70/95/84/1368709584.db2.gz JYRDZLVJFDYMMN-GOSISDBHSA-N 1 2 347.846 2.334 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ncc(OC)cc1Cl ZINC001273809509 1368709589 /nfs/dbraw/zinc/70/95/89/1368709589.db2.gz JYRDZLVJFDYMMN-GOSISDBHSA-N 1 2 347.846 2.334 20 30 EEEDLO Cc1ccc(N2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)c(C)c1 ZINC000852745287 1369297148 /nfs/dbraw/zinc/29/71/48/1369297148.db2.gz QGSKFWWGANUNEU-QGZVFWFLSA-N 1 2 340.471 2.376 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CC(C)(F)F)C[C@H](C)O2 ZINC001071210099 1370416831 /nfs/dbraw/zinc/41/68/31/1370416831.db2.gz VBMKTAWQLMLJEU-WFASDCNBSA-N 1 2 336.810 2.476 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CC(C)(F)F)C[C@H](C)O2 ZINC001071210099 1370416836 /nfs/dbraw/zinc/41/68/36/1370416836.db2.gz VBMKTAWQLMLJEU-WFASDCNBSA-N 1 2 336.810 2.476 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CC(C)(F)F)C[C@H](C)O2 ZINC001071210098 1370417517 /nfs/dbraw/zinc/41/75/17/1370417517.db2.gz VBMKTAWQLMLJEU-SWLSCSKDSA-N 1 2 336.810 2.476 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC(C)(F)F)C[C@H](C)O2 ZINC001071210098 1370417527 /nfs/dbraw/zinc/41/75/27/1370417527.db2.gz VBMKTAWQLMLJEU-SWLSCSKDSA-N 1 2 336.810 2.476 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001072429786 1370701522 /nfs/dbraw/zinc/70/15/22/1370701522.db2.gz LGTIUYQFMUVQPV-ZIAGYGMSSA-N 1 2 346.475 2.253 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001072429783 1370702318 /nfs/dbraw/zinc/70/23/18/1370702318.db2.gz LGTIUYQFMUVQPV-KBPBESRZSA-N 1 2 346.475 2.253 20 30 EEEDLO Cc1nc(N2CC[C@@H](NC(=O)CSCC#N)C[C@H]2C)c(C)c(C)[nH+]1 ZINC001112465058 1371456571 /nfs/dbraw/zinc/45/65/71/1371456571.db2.gz MNEFXTIKIWTJES-IAQYHMDHSA-N 1 2 347.488 2.132 20 30 EEEDLO C[C@H](CCCNc1cnc(C#N)cn1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001115112042 1371524573 /nfs/dbraw/zinc/52/45/73/1371524573.db2.gz CTALLYATXLZTGC-GFCCVEGCSA-N 1 2 349.398 2.235 20 30 EEEDLO C=CC(C)(C)C(=O)NCCOCCN(C)c1nc(C)[nH+]c(C)c1C ZINC001115240799 1371548685 /nfs/dbraw/zinc/54/86/85/1371548685.db2.gz PUZKGAVSMFFJOY-UHFFFAOYSA-N 1 2 334.464 2.183 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2occc2NC(=O)OC(C)(C)C)C1 ZINC001119684123 1371794800 /nfs/dbraw/zinc/79/48/00/1371794800.db2.gz ORXIVRHQCHMPGF-ZDUSSCGKSA-N 1 2 347.415 2.454 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2occc2NC(=O)OC(C)(C)C)C1 ZINC001119684123 1371794803 /nfs/dbraw/zinc/79/48/03/1371794803.db2.gz ORXIVRHQCHMPGF-ZDUSSCGKSA-N 1 2 347.415 2.454 20 30 EEEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001121324611 1371868467 /nfs/dbraw/zinc/86/84/67/1371868467.db2.gz STALZLZPBVVDFW-CALCHBBNSA-N 1 2 340.475 2.311 20 30 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C=C(C)[C@H](CC(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)C1)OCC ZINC001098555616 759892975 /nfs/dbraw/zinc/89/29/75/759892975.db2.gz XIHGNNBMFSWYOY-CVEARBPZSA-N 1 2 332.448 2.417 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001211551332 760486569 /nfs/dbraw/zinc/48/65/69/760486569.db2.gz JMLKUYWLRDPZKN-DLBZAZTESA-N 1 2 340.427 2.428 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnns3)C[C@H]2C)cc1 ZINC000942552723 782703802 /nfs/dbraw/zinc/70/38/02/782703802.db2.gz IHZBNNRRHIWBEY-DYVFJYSZSA-N 1 2 340.452 2.160 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnns3)C[C@H]2C)cc1 ZINC000942552723 782703808 /nfs/dbraw/zinc/70/38/08/782703808.db2.gz IHZBNNRRHIWBEY-DYVFJYSZSA-N 1 2 340.452 2.160 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)c1cccnc1 ZINC001031516924 769331025 /nfs/dbraw/zinc/33/10/25/769331025.db2.gz QJHSGNXZPCOSJF-UHFFFAOYSA-N 1 2 339.826 2.448 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(CC)c(CC)c3)[C@H]2C1 ZINC001083299432 769380452 /nfs/dbraw/zinc/38/04/52/769380452.db2.gz XLQOBJSUBBUQIX-VQTJNVASSA-N 1 2 340.467 2.360 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(CC)c(CC)c3)[C@H]2C1 ZINC001083299432 769380461 /nfs/dbraw/zinc/38/04/61/769380461.db2.gz XLQOBJSUBBUQIX-VQTJNVASSA-N 1 2 340.467 2.360 20 30 EEEDLO CC(C)[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)Nc1nccnc1C#N ZINC001105309684 769672228 /nfs/dbraw/zinc/67/22/28/769672228.db2.gz ZFNLVMIVQWXQJF-INIZCTEOSA-N 1 2 349.398 2.091 20 30 EEEDLO Cc1nc(NC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C)ccc1C#N ZINC001125943288 769688129 /nfs/dbraw/zinc/68/81/29/769688129.db2.gz XMPKBYZHQFGYRD-OAHLLOKOSA-N 1 2 340.431 2.101 20 30 EEEDLO Cc1ncc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)s1 ZINC001031574548 769783009 /nfs/dbraw/zinc/78/30/09/769783009.db2.gz WAOPAYBOOTXXJO-UHFFFAOYSA-N 1 2 343.427 2.304 20 30 EEEDLO CC(C)(C)[C@H](CNc1ccc(C#N)nc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001126152378 770070181 /nfs/dbraw/zinc/07/01/81/770070181.db2.gz MSDZOCRIEZNTER-INIZCTEOSA-N 1 2 340.431 2.252 20 30 EEEDLO CC(C)(C)[C@H](CNc1ccc(C#N)nc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001126152378 770070190 /nfs/dbraw/zinc/07/01/90/770070190.db2.gz MSDZOCRIEZNTER-INIZCTEOSA-N 1 2 340.431 2.252 20 30 EEEDLO C[C@H](C[C@H](C)NC(=O)CCc1[nH+]ccn1C)Nc1ncccc1C#N ZINC001089522669 770091024 /nfs/dbraw/zinc/09/10/24/770091024.db2.gz AKEFUYVWYQHMOI-UONOGXRCSA-N 1 2 340.431 2.015 20 30 EEEDLO N#Cc1cc(C(=O)NCC2C[NH+](Cc3cccc(F)c3F)C2)c[nH]1 ZINC001031622449 770336497 /nfs/dbraw/zinc/33/64/97/770336497.db2.gz JPIIFXCCBNRSOO-UHFFFAOYSA-N 1 2 330.338 2.026 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)n3CC)C[C@H]2C)C1 ZINC000942602198 782833022 /nfs/dbraw/zinc/83/30/22/782833022.db2.gz FNNYKSCTAQRCAJ-ZBFHGGJFSA-N 1 2 345.491 2.289 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)n3CC)C[C@H]2C)C1 ZINC000942602198 782833029 /nfs/dbraw/zinc/83/30/29/782833029.db2.gz FNNYKSCTAQRCAJ-ZBFHGGJFSA-N 1 2 345.491 2.289 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001027812044 770448091 /nfs/dbraw/zinc/44/80/91/770448091.db2.gz CQTYQUHRQYGIJC-GXTWGEPZSA-N 1 2 327.388 2.138 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+]2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001027812044 770448096 /nfs/dbraw/zinc/44/80/96/770448096.db2.gz CQTYQUHRQYGIJC-GXTWGEPZSA-N 1 2 327.388 2.138 20 30 EEEDLO Cc1cc[nH]c1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031644291 770559160 /nfs/dbraw/zinc/55/91/60/770559160.db2.gz RIHIAFGQVRGCFZ-UHFFFAOYSA-N 1 2 325.387 2.176 20 30 EEEDLO Cc1csc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001027832502 773228400 /nfs/dbraw/zinc/22/84/00/773228400.db2.gz FAMSSPVDUZCMDG-CYBMUJFWSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1csc(C[N@H+]2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001027832502 773228404 /nfs/dbraw/zinc/22/84/04/773228404.db2.gz FAMSSPVDUZCMDG-CYBMUJFWSA-N 1 2 329.429 2.046 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)c2ncccc2O)s1 ZINC001027844050 773416751 /nfs/dbraw/zinc/41/67/51/773416751.db2.gz MGDVBISHKJEJLB-GFCCVEGCSA-N 1 2 342.424 2.115 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2ncccc2O)s1 ZINC001027844050 773416755 /nfs/dbraw/zinc/41/67/55/773416755.db2.gz MGDVBISHKJEJLB-GFCCVEGCSA-N 1 2 342.424 2.115 20 30 EEEDLO CC[C@H]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)O1 ZINC001031708267 773527089 /nfs/dbraw/zinc/52/70/89/773527089.db2.gz NCFSYDIGFCZZAJ-WMZOPIPTSA-N 1 2 345.418 2.203 20 30 EEEDLO Cc1c[nH]nc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001027876673 773851949 /nfs/dbraw/zinc/85/19/49/773851949.db2.gz SGABHTFEOYBCEG-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1c[nH]nc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001027876673 773851956 /nfs/dbraw/zinc/85/19/56/773851956.db2.gz SGABHTFEOYBCEG-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO CC1(C)CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)N(CC#N)C1 ZINC001089667415 774119407 /nfs/dbraw/zinc/11/94/07/774119407.db2.gz GLIHIKMRLWDMCJ-CQSZACIVSA-N 1 2 325.416 2.078 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1C(=O)CC ZINC001027903045 774186058 /nfs/dbraw/zinc/18/60/58/774186058.db2.gz CEEHRRVGKQJSOI-GJZGRUSLSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1C(=O)CC ZINC001027903045 774186059 /nfs/dbraw/zinc/18/60/59/774186059.db2.gz CEEHRRVGKQJSOI-GJZGRUSLSA-N 1 2 341.883 2.111 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060756326 774346481 /nfs/dbraw/zinc/34/64/81/774346481.db2.gz MBQKEZUMVJNSPS-WKILWMFISA-N 1 2 346.475 2.277 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001031750188 774928714 /nfs/dbraw/zinc/92/87/14/774928714.db2.gz FTIVIBIJWIOODB-UHFFFAOYSA-N 1 2 345.406 2.296 20 30 EEEDLO CCO[C@@H]1C[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000980751170 775447155 /nfs/dbraw/zinc/44/71/55/775447155.db2.gz RHNMNWLSROOHMV-FUHWJXTLSA-N 1 2 345.418 2.157 20 30 EEEDLO CCO[C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000980751170 775447164 /nfs/dbraw/zinc/44/71/64/775447164.db2.gz RHNMNWLSROOHMV-FUHWJXTLSA-N 1 2 345.418 2.157 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1OC ZINC001212321054 775702957 /nfs/dbraw/zinc/70/29/57/775702957.db2.gz PROJZPUAVPNALD-IAGOWNOFSA-N 1 2 333.432 2.067 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1OC ZINC001212321054 775702962 /nfs/dbraw/zinc/70/29/62/775702962.db2.gz PROJZPUAVPNALD-IAGOWNOFSA-N 1 2 333.432 2.067 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3[nH]nc4c3CCCC4)C2)cc1 ZINC001031809784 776194814 /nfs/dbraw/zinc/19/48/14/776194814.db2.gz RVZXLCREIZUAON-UHFFFAOYSA-N 1 2 349.438 2.022 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3CCC(O)CC3)CC2)s1 ZINC000981070189 776473147 /nfs/dbraw/zinc/47/31/47/776473147.db2.gz LNLUOWFNQMIXTG-UHFFFAOYSA-N 1 2 347.484 2.205 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CCC(O)CC3)CC2)s1 ZINC000981070189 776473149 /nfs/dbraw/zinc/47/31/49/776473149.db2.gz LNLUOWFNQMIXTG-UHFFFAOYSA-N 1 2 347.484 2.205 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCCN(c2cc[nH+]c(C)n2)C1 ZINC001063240938 790465131 /nfs/dbraw/zinc/46/51/31/790465131.db2.gz JHHCVWWFTHKFRP-BBWFWOEESA-N 1 2 344.459 2.241 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H]1C[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091374543 790485759 /nfs/dbraw/zinc/48/57/59/790485759.db2.gz UHDSBRTXCVVQKH-OKILXGFUSA-N 1 2 346.479 2.155 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981371212 777245509 /nfs/dbraw/zinc/24/55/09/777245509.db2.gz GZQRIDUSRYYFHU-UXHICEINSA-N 1 2 340.467 2.388 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981371212 777245514 /nfs/dbraw/zinc/24/55/14/777245514.db2.gz GZQRIDUSRYYFHU-UXHICEINSA-N 1 2 340.467 2.388 20 30 EEEDLO CO[C@H](C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1)C1CCC1 ZINC000981701456 778039352 /nfs/dbraw/zinc/03/93/52/778039352.db2.gz KVCDMCJRIDHFRC-FQEVSTJZSA-N 1 2 340.467 2.388 20 30 EEEDLO CO[C@H](C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1)C1CCC1 ZINC000981701456 778039361 /nfs/dbraw/zinc/03/93/61/778039361.db2.gz KVCDMCJRIDHFRC-FQEVSTJZSA-N 1 2 340.467 2.388 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccnc(OC)c3)CC2)cc1 ZINC000981731088 778114695 /nfs/dbraw/zinc/11/46/95/778114695.db2.gz AKBZFLCWLBDUBT-UHFFFAOYSA-N 1 2 349.434 2.420 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccnc(OC)c3)CC2)cc1 ZINC000981731088 778114698 /nfs/dbraw/zinc/11/46/98/778114698.db2.gz AKBZFLCWLBDUBT-UHFFFAOYSA-N 1 2 349.434 2.420 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000981754827 778141353 /nfs/dbraw/zinc/14/13/53/778141353.db2.gz SHHGLCUZDBZFTA-DLBZAZTESA-N 1 2 349.519 2.428 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000981754827 778141356 /nfs/dbraw/zinc/14/13/56/778141356.db2.gz SHHGLCUZDBZFTA-DLBZAZTESA-N 1 2 349.519 2.428 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001063299224 790628113 /nfs/dbraw/zinc/62/81/13/790628113.db2.gz ZAPGNVLORVQBBP-BBWFWOEESA-N 1 2 344.459 2.417 20 30 EEEDLO Cc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)nc2ccccc12 ZINC001075621137 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ZINC001105719887 789237511 /nfs/dbraw/zinc/23/75/11/789237511.db2.gz QJRUCXBZQSCJJU-CVEARBPZSA-N 1 2 338.492 2.173 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](C)CCCOC)CC2)C1 ZINC001105730669 789289267 /nfs/dbraw/zinc/28/92/67/789289267.db2.gz SDIANMWJFWKUPP-MRXNPFEDSA-N 1 2 338.492 2.317 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)OCCCCCC)C1 ZINC001107942445 789578732 /nfs/dbraw/zinc/57/87/32/789578732.db2.gz SIWVLUPYNXLCBN-IEBWSBKVSA-N 1 2 338.492 2.202 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)OCCCCCC)C1 ZINC001107942445 789578740 /nfs/dbraw/zinc/57/87/40/789578740.db2.gz SIWVLUPYNXLCBN-IEBWSBKVSA-N 1 2 338.492 2.202 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H](OCC)C2=CCCC2)C1 ZINC001107945300 789672807 /nfs/dbraw/zinc/67/28/07/789672807.db2.gz DABQFXGJFVMZSD-ICSRJNTNSA-N 1 2 348.487 2.122 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H](OCC)C2=CCCC2)C1 ZINC001107945300 789672814 /nfs/dbraw/zinc/67/28/14/789672814.db2.gz DABQFXGJFVMZSD-ICSRJNTNSA-N 1 2 348.487 2.122 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC001107949497 789737506 /nfs/dbraw/zinc/73/75/06/789737506.db2.gz NHWVSYVNPRMTQJ-WSTZPKSXSA-N 1 2 344.455 2.300 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC001107949497 789737513 /nfs/dbraw/zinc/73/75/13/789737513.db2.gz NHWVSYVNPRMTQJ-WSTZPKSXSA-N 1 2 344.455 2.300 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032454034 789841733 /nfs/dbraw/zinc/84/17/33/789841733.db2.gz AHXQZTCGJJXNQT-XWSJACJDSA-N 1 2 339.439 2.158 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032454034 789841737 /nfs/dbraw/zinc/84/17/37/789841737.db2.gz AHXQZTCGJJXNQT-XWSJACJDSA-N 1 2 339.439 2.158 20 30 EEEDLO C#Cc1ccc(C[N@H+]2Cc3nccn3C[C@@H](Cn3cccn3)C2)cc1 ZINC001144571491 789950886 /nfs/dbraw/zinc/95/08/86/789950886.db2.gz AKPIMEHYZHVSSH-IBGZPJMESA-N 1 2 331.423 2.393 20 30 EEEDLO C#Cc1ccc(C[N@@H+]2Cc3nccn3C[C@@H](Cn3cccn3)C2)cc1 ZINC001144571491 789950890 /nfs/dbraw/zinc/95/08/90/789950890.db2.gz AKPIMEHYZHVSSH-IBGZPJMESA-N 1 2 331.423 2.393 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](CNC(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001060832656 789962102 /nfs/dbraw/zinc/96/21/02/789962102.db2.gz LQHKEMABUZBOBP-WKILWMFISA-N 1 2 344.459 2.031 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](C[C@@H](OC)c2ccccc2)C1 ZINC001030331935 790063946 /nfs/dbraw/zinc/06/39/46/790063946.db2.gz RSMPDZGLINEVOL-CEXWTWQISA-N 1 2 344.455 2.156 20 30 EEEDLO CCOC(=O)c1cnc2n1CC[N@H+]([C@@H](C)Cc1cccc(C#N)c1)C2 ZINC001171230360 790237201 /nfs/dbraw/zinc/23/72/01/790237201.db2.gz UYXNUHQGBZEEAV-AWEZNQCLSA-N 1 2 338.411 2.378 20 30 EEEDLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)C2 ZINC001171230360 790237205 /nfs/dbraw/zinc/23/72/05/790237205.db2.gz UYXNUHQGBZEEAV-AWEZNQCLSA-N 1 2 338.411 2.378 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106067249 791283611 /nfs/dbraw/zinc/28/36/11/791283611.db2.gz SSJJOBRXNSLVLM-UKRRQHHQSA-N 1 2 332.448 2.154 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106080740 791831473 /nfs/dbraw/zinc/83/14/73/791831473.db2.gz SCWVXNHAXWRBHC-RDTXWAMCSA-N 1 2 332.448 2.154 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106081023 791843936 /nfs/dbraw/zinc/84/39/36/791843936.db2.gz VNPDGBILTGZVSH-RDTXWAMCSA-N 1 2 334.464 2.400 20 30 EEEDLO CC(C)C#CC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C(C)C)o1)C2 ZINC001147522955 791866920 /nfs/dbraw/zinc/86/69/20/791866920.db2.gz JIAAJEQDWLTXSB-UHFFFAOYSA-N 1 2 329.444 2.492 20 30 EEEDLO CC(C)C#CC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C(C)C)o1)C2 ZINC001147522955 791866926 /nfs/dbraw/zinc/86/69/26/791866926.db2.gz JIAAJEQDWLTXSB-UHFFFAOYSA-N 1 2 329.444 2.492 20 30 EEEDLO Cc1noc([C@H](C)[N@@H+]2CCC3(CN(C(=O)C#CC(C)(C)C)C3)C2)n1 ZINC001147523128 791868188 /nfs/dbraw/zinc/86/81/88/791868188.db2.gz OEUWQINLAVCNPL-ZDUSSCGKSA-N 1 2 330.432 2.023 20 30 EEEDLO Cc1noc([C@H](C)[N@H+]2CCC3(CN(C(=O)C#CC(C)(C)C)C3)C2)n1 ZINC001147523128 791868196 /nfs/dbraw/zinc/86/81/96/791868196.db2.gz OEUWQINLAVCNPL-ZDUSSCGKSA-N 1 2 330.432 2.023 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2cscn2)[C@@H]1C ZINC001089005703 791871870 /nfs/dbraw/zinc/87/18/70/791871870.db2.gz UPHYITIFWCPMSE-KDOFPFPSSA-N 1 2 339.464 2.446 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2cscn2)[C@@H]1C ZINC001089005703 791871875 /nfs/dbraw/zinc/87/18/75/791871875.db2.gz UPHYITIFWCPMSE-KDOFPFPSSA-N 1 2 339.464 2.446 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079092257 792035033 /nfs/dbraw/zinc/03/50/33/792035033.db2.gz CLNLOAZYOIYWLF-WBVHZDCISA-N 1 2 346.475 2.394 20 30 EEEDLO CO[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1)C(C)C ZINC001032605305 792130545 /nfs/dbraw/zinc/13/05/45/792130545.db2.gz WNOMGUWMMJQTOT-BZSNNMDCSA-N 1 2 327.428 2.014 20 30 EEEDLO CO[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1)C(C)C ZINC001032605305 792130558 /nfs/dbraw/zinc/13/05/58/792130558.db2.gz WNOMGUWMMJQTOT-BZSNNMDCSA-N 1 2 327.428 2.014 20 30 EEEDLO O=C(CC1=CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032606912 792177868 /nfs/dbraw/zinc/17/78/68/792177868.db2.gz KRIWCLGGCDIQJI-PMACEKPBSA-N 1 2 336.435 2.060 20 30 EEEDLO O=C(CC1=CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032606912 792177876 /nfs/dbraw/zinc/17/78/76/792177876.db2.gz KRIWCLGGCDIQJI-PMACEKPBSA-N 1 2 336.435 2.060 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@@H+](Cc1cn(C(C)C)nn1)C2 ZINC001148357231 792386952 /nfs/dbraw/zinc/38/69/52/792386952.db2.gz GKGDWDMAWLMOJY-UHFFFAOYSA-N 1 2 345.491 2.496 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](Cc1cn(C(C)C)nn1)C2 ZINC001148357231 792386959 /nfs/dbraw/zinc/38/69/59/792386959.db2.gz GKGDWDMAWLMOJY-UHFFFAOYSA-N 1 2 345.491 2.496 20 30 EEEDLO C#CCOCCC(=O)N[C@@H](CNc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001109905016 806185067 /nfs/dbraw/zinc/18/50/67/806185067.db2.gz HAMJKDWDQLXFPQ-INIZCTEOSA-N 1 2 344.459 2.255 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4n[nH]nc43)CCC[C@H]12 ZINC000992144190 792905289 /nfs/dbraw/zinc/90/52/89/792905289.db2.gz HDRYKSPMTMDSSM-HACGYAERSA-N 1 2 349.866 2.090 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4n[nH]nc43)CCC[C@H]12 ZINC000992144190 792905301 /nfs/dbraw/zinc/90/53/01/792905301.db2.gz HDRYKSPMTMDSSM-HACGYAERSA-N 1 2 349.866 2.090 20 30 EEEDLO C[N@@H+](Cc1cscn1)C[C@@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001089161811 792945567 /nfs/dbraw/zinc/94/55/67/792945567.db2.gz JVCJBMPVFXDJPR-INIZCTEOSA-N 1 2 343.456 2.470 20 30 EEEDLO C[N@H+](Cc1cscn1)C[C@@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001089161811 792945575 /nfs/dbraw/zinc/94/55/75/792945575.db2.gz JVCJBMPVFXDJPR-INIZCTEOSA-N 1 2 343.456 2.470 20 30 EEEDLO C=C1CCC(C(=O)N2CCCC[C@H]2C[N@@H+](C)Cc2cn(C)nn2)CC1 ZINC001089220645 793442876 /nfs/dbraw/zinc/44/28/76/793442876.db2.gz PKOUJYRXKGLPJT-SFHVURJKSA-N 1 2 345.491 2.374 20 30 EEEDLO C=C1CCC(C(=O)N2CCCC[C@H]2C[N@H+](C)Cc2cn(C)nn2)CC1 ZINC001089220645 793442879 /nfs/dbraw/zinc/44/28/79/793442879.db2.gz PKOUJYRXKGLPJT-SFHVURJKSA-N 1 2 345.491 2.374 20 30 EEEDLO C=C(Cl)C[NH2+]C1CC(N(C)C(=O)c2cc(Br)[nH]n2)C1 ZINC000998861088 793488106 /nfs/dbraw/zinc/48/81/06/793488106.db2.gz GCGQHSBZXHYCNF-UHFFFAOYSA-N 1 2 347.644 2.117 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CC)C[C@@]2(C)C1 ZINC001091978090 793490430 /nfs/dbraw/zinc/49/04/30/793490430.db2.gz HSJOSMFLECVAIK-MNEFBYGVSA-N 1 2 345.491 2.181 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CC)C[C@@]2(C)C1 ZINC001091978090 793490434 /nfs/dbraw/zinc/49/04/34/793490434.db2.gz HSJOSMFLECVAIK-MNEFBYGVSA-N 1 2 345.491 2.181 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092084346 793551756 /nfs/dbraw/zinc/55/17/56/793551756.db2.gz QLFINSZTRYTFSD-GDBMZVCRSA-N 1 2 346.475 2.487 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1O ZINC001092171952 793636051 /nfs/dbraw/zinc/63/60/51/793636051.db2.gz BEZDVKXIVHHRST-HZPDHXFCSA-N 1 2 344.459 2.075 20 30 EEEDLO CCCCc1noc([C@H](C)[NH2+][C@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC000999117117 793829625 /nfs/dbraw/zinc/82/96/25/793829625.db2.gz KHIVUXRQARJHOD-HOCLYGCPSA-N 1 2 344.459 2.467 20 30 EEEDLO C=CCOCC(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001092329632 793847885 /nfs/dbraw/zinc/84/78/85/793847885.db2.gz XMQSLPMLZKGSCL-CZUORRHYSA-N 1 2 344.459 2.054 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC1(C)C)c1nccn12 ZINC001092387179 793883102 /nfs/dbraw/zinc/88/31/02/793883102.db2.gz SYVKIDNJQXRQDM-CVEARBPZSA-N 1 2 340.471 2.305 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C1CCC(F)CC1)c1nccn12 ZINC001092393916 793893243 /nfs/dbraw/zinc/89/32/43/793893243.db2.gz NHFLKKCPASBVAQ-NRXISQOPSA-N 1 2 332.423 2.169 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccsc1C)c1nccn12 ZINC001092366076 793910265 /nfs/dbraw/zinc/91/02/65/793910265.db2.gz OYOWRHZLMKAHAZ-AWEZNQCLSA-N 1 2 328.441 2.325 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC(F)(F)C1)c1nccn12 ZINC001092375566 793918978 /nfs/dbraw/zinc/91/89/78/793918978.db2.gz URROZBGIWPECNE-QWHCGFSZSA-N 1 2 336.386 2.076 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001092376933 793919800 /nfs/dbraw/zinc/91/98/00/793919800.db2.gz PRQFKERAFFZBQU-SRCQZFHVSA-N 1 2 346.475 2.181 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(F)s1)c1nccn12 ZINC001092412891 793962621 /nfs/dbraw/zinc/96/26/21/793962621.db2.gz AIMSMUXYMFIUBY-NSHDSACASA-N 1 2 332.404 2.155 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccn1C(C)C)c1nccn12 ZINC001092413294 793964052 /nfs/dbraw/zinc/96/40/52/793964052.db2.gz QIWWMASNRHVZQZ-HNNXBMFYSA-N 1 2 339.443 2.337 20 30 EEEDLO C#Cc1cncc(C(=O)NC2C[NH+](CCc3ccc(CC)cc3)C2)c1 ZINC001030929759 793983312 /nfs/dbraw/zinc/98/33/12/793983312.db2.gz XBEUODLWHRXONL-UHFFFAOYSA-N 1 2 333.435 2.282 20 30 EEEDLO CC(C)(C(=O)N1CCC[C@H]1CNc1ncccc1C#N)c1c[nH+]c[nH]1 ZINC001064932366 793987542 /nfs/dbraw/zinc/98/75/42/793987542.db2.gz JAIRWOHQVHQQCH-AWEZNQCLSA-N 1 2 338.415 2.057 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC000999374774 794351733 /nfs/dbraw/zinc/35/17/33/794351733.db2.gz SAVSSGKCRGAAAL-DZGCQCFKSA-N 1 2 343.431 2.321 20 30 EEEDLO C#CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1c1ccccc1F ZINC001079296447 794567184 /nfs/dbraw/zinc/56/71/84/794567184.db2.gz AFWBDGSVMZCHPF-YUTCNCBUSA-N 1 2 346.299 2.243 20 30 EEEDLO C#CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1c1ccccc1F ZINC001079296447 794567186 /nfs/dbraw/zinc/56/71/86/794567186.db2.gz AFWBDGSVMZCHPF-YUTCNCBUSA-N 1 2 346.299 2.243 20 30 EEEDLO C=CCOCC(=O)N[C@]12CCC[C@H]1CN(c1nc(C)[nH+]c(C)c1C)C2 ZINC001093069369 794577117 /nfs/dbraw/zinc/57/71/17/794577117.db2.gz KKFCVRJSXWIVFD-LPHOPBHVSA-N 1 2 344.459 2.080 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C(C)(F)F ZINC001079350028 794638838 /nfs/dbraw/zinc/63/88/38/794638838.db2.gz HOYFSPHILQJNTK-QMTHXVAHSA-N 1 2 325.334 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/nfs/dbraw/zinc/21/86/72/795218672.db2.gz AVSMGKBEOSVEHG-UHFFFAOYSA-N 1 2 332.448 2.004 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001032737696 795329353 /nfs/dbraw/zinc/32/93/53/795329353.db2.gz BAQTWPSOTUOHLR-ROUUACIJSA-N 1 2 335.382 2.301 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001032737696 795329357 /nfs/dbraw/zinc/32/93/57/795329357.db2.gz BAQTWPSOTUOHLR-ROUUACIJSA-N 1 2 335.382 2.301 20 30 EEEDLO Cc1cc(NCC[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)nc(C2CC2)[nH+]1 ZINC001106279598 795332571 /nfs/dbraw/zinc/33/25/71/795332571.db2.gz LBSXDLZMZQOPTG-LLVKDONJSA-N 1 2 338.415 2.483 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H](C)[C@H]3CCCO3)CC2)C1 ZINC001093591686 795404721 /nfs/dbraw/zinc/40/47/21/795404721.db2.gz MREVBOBFFWWVOF-CRAIPNDOSA-N 1 2 336.476 2.069 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2nc(C(C)(C)C)cs2)C1 ZINC001108006893 795486186 /nfs/dbraw/zinc/48/61/86/795486186.db2.gz GQDWTAOBYPODSB-KRWDZBQOSA-N 1 2 337.489 2.447 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2nc(C(C)(C)C)cs2)C1 ZINC001108006893 795486191 /nfs/dbraw/zinc/48/61/91/795486191.db2.gz GQDWTAOBYPODSB-KRWDZBQOSA-N 1 2 337.489 2.447 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](CC)CCCCC)C2)nn1 ZINC001098785864 795585414 /nfs/dbraw/zinc/58/54/14/795585414.db2.gz ZIUVLCHIZPDCCP-WMZOPIPTSA-N 1 2 345.491 2.381 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C/C=C\c2ccccc2F)C1 ZINC001108022384 795621161 /nfs/dbraw/zinc/62/11/61/795621161.db2.gz HUYOBDYITBSPJC-YHAGJJCESA-N 1 2 344.430 2.459 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C/C=C\c2ccccc2F)C1 ZINC001108022384 795621166 /nfs/dbraw/zinc/62/11/66/795621166.db2.gz HUYOBDYITBSPJC-YHAGJJCESA-N 1 2 344.430 2.459 20 30 EEEDLO C[C@@H](CCNc1ncccc1C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC001106493324 795702455 /nfs/dbraw/zinc/70/24/55/795702455.db2.gz FLSDQDXCSVNTFL-ZDUSSCGKSA-N 1 2 334.383 2.221 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCNc1[nH+]c(C)nc(-n2cccn2)c1C ZINC001094047179 795893098 /nfs/dbraw/zinc/89/30/98/795893098.db2.gz KSCYSCSUPXTECU-CHWSQXEVSA-N 1 2 342.447 2.265 20 30 EEEDLO C=CCOc1ccccc1C(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001108032505 795992977 /nfs/dbraw/zinc/99/29/77/795992977.db2.gz ZSWKYNYQWUMKGF-FQEVSTJZSA-N 1 2 342.439 2.095 20 30 EEEDLO C=CCOc1ccccc1C(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001108032505 795992983 /nfs/dbraw/zinc/99/29/83/795992983.db2.gz ZSWKYNYQWUMKGF-FQEVSTJZSA-N 1 2 342.439 2.095 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001080466191 796038850 /nfs/dbraw/zinc/03/88/50/796038850.db2.gz SYKNHSCQTFOGHF-SPYBWZPUSA-N 1 2 344.459 2.175 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001080466191 796038856 /nfs/dbraw/zinc/03/88/56/796038856.db2.gz SYKNHSCQTFOGHF-SPYBWZPUSA-N 1 2 344.459 2.175 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001080474087 796062207 /nfs/dbraw/zinc/06/22/07/796062207.db2.gz MJTLUSSMJRBEKC-FPCVCCKLSA-N 1 2 347.459 2.326 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001080474087 796062213 /nfs/dbraw/zinc/06/22/13/796062213.db2.gz MJTLUSSMJRBEKC-FPCVCCKLSA-N 1 2 347.459 2.326 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cc(Cl)ccc3C)nn2)C1 ZINC001094327790 796102240 /nfs/dbraw/zinc/10/22/40/796102240.db2.gz PNSHVJDWQHQIEU-UHFFFAOYSA-N 1 2 345.834 2.213 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3cccn3C(C)C)nn2)C1 ZINC001094338734 796112902 /nfs/dbraw/zinc/11/29/02/796112902.db2.gz BXGNURPCLKZGGE-UHFFFAOYSA-N 1 2 342.447 2.023 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2cc(C)on2)CC1 ZINC001000694721 796116486 /nfs/dbraw/zinc/11/64/86/796116486.db2.gz GCAADICIUDSCGF-MSOLQXFVSA-N 1 2 345.443 2.213 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2cc(C)on2)CC1 ZINC001000694721 796116490 /nfs/dbraw/zinc/11/64/90/796116490.db2.gz GCAADICIUDSCGF-MSOLQXFVSA-N 1 2 345.443 2.213 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@@H+]1Cc1ccns1 ZINC000993235487 796153111 /nfs/dbraw/zinc/15/31/11/796153111.db2.gz ONNJNKUDCUDSPT-FZMZJTMJSA-N 1 2 329.429 2.126 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1Cc1ccns1 ZINC000993235487 796153114 /nfs/dbraw/zinc/15/31/14/796153114.db2.gz ONNJNKUDCUDSPT-FZMZJTMJSA-N 1 2 329.429 2.126 20 30 EEEDLO C#Cc1ccc(C(=O)NCCCNc2nc(C)[nH+]c3c2CCCC3)cn1 ZINC001094510370 796339999 /nfs/dbraw/zinc/33/99/99/796339999.db2.gz JOHASOWBRGNJQK-UHFFFAOYSA-N 1 2 349.438 2.272 20 30 EEEDLO C[C@@H](C[C@H](C)Nc1ncc(C#N)cc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001089346271 796368827 /nfs/dbraw/zinc/36/88/27/796368827.db2.gz OVXAGOVUZCNJDH-RYUDHWBXSA-N 1 2 346.822 2.199 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@@]3(C)CC=C(C)CC3)CC2=O)C1 ZINC001094814256 796594086 /nfs/dbraw/zinc/59/40/86/796594086.db2.gz CUROSRXBJBYYRP-JXFKEZNVSA-N 1 2 345.487 2.100 20 30 EEEDLO C#CCOc1ncccc1C(=O)NC1C[NH+](Cc2cccc(C)c2)C1 ZINC001031276328 796631495 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C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C12CCC2 ZINC001078807268 797034655 /nfs/dbraw/zinc/03/46/55/797034655.db2.gz VIHXWIUZCANKOZ-LSDHHAIUSA-N 1 2 345.834 2.341 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)c(Cl)c2F)[C@H](OC)C1 ZINC001082098912 797171158 /nfs/dbraw/zinc/17/11/58/797171158.db2.gz AFBWSAVUOMLZSB-CHWSQXEVSA-N 1 2 342.773 2.071 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)c(Cl)c2F)[C@H](OC)C1 ZINC001082098912 797171160 /nfs/dbraw/zinc/17/11/60/797171160.db2.gz AFBWSAVUOMLZSB-CHWSQXEVSA-N 1 2 342.773 2.071 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3cnc(C)cn3)C[C@H]2OC)C1 ZINC001082111945 797216461 /nfs/dbraw/zinc/21/64/61/797216461.db2.gz PFSPPRYIOFZKON-DJIMGWMZSA-N 1 2 344.459 2.018 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3cnc(C)cn3)C[C@H]2OC)C1 ZINC001082111945 797216463 /nfs/dbraw/zinc/21/64/63/797216463.db2.gz PFSPPRYIOFZKON-DJIMGWMZSA-N 1 2 344.459 2.018 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 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C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)COC(C)(C)C)C[C@@H](C)O2 ZINC001131650637 813080154 /nfs/dbraw/zinc/08/01/54/813080154.db2.gz VZAGKVXANDRXFG-RHSMWYFYSA-N 1 2 344.883 2.246 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)COC(C)(C)C)C[C@@H](C)O2 ZINC001131650637 813080162 /nfs/dbraw/zinc/08/01/62/813080162.db2.gz VZAGKVXANDRXFG-RHSMWYFYSA-N 1 2 344.883 2.246 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CCC(F)F)C[C@H](C)O2 ZINC001131669910 813102531 /nfs/dbraw/zinc/10/25/31/813102531.db2.gz WJLCMLZEPIJABZ-SWLSCSKDSA-N 1 2 336.810 2.476 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCC(F)F)C[C@H](C)O2 ZINC001131669910 813102536 /nfs/dbraw/zinc/10/25/36/813102536.db2.gz WJLCMLZEPIJABZ-SWLSCSKDSA-N 1 2 336.810 2.476 20 30 EEEDLO Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001436414977 1087770445 /nfs/dbraw/zinc/77/04/45/1087770445.db2.gz QRRPEXNHBAKWHX-LBPRGKRZSA-N 1 2 335.371 2.234 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)CCc2cnccn2)C1 ZINC001437911283 1090493484 /nfs/dbraw/zinc/49/34/84/1090493484.db2.gz PKSDUFKHOOWYQX-MRXNPFEDSA-N 1 2 336.867 2.475 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CCc2cnccn2)C1 ZINC001437911283 1090493487 /nfs/dbraw/zinc/49/34/87/1090493487.db2.gz PKSDUFKHOOWYQX-MRXNPFEDSA-N 1 2 336.867 2.475 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnn(-c2ccccn2)c1 ZINC001439380010 1092122351 /nfs/dbraw/zinc/12/23/51/1092122351.db2.gz PRURMODBSPSZHT-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnn(-c2ccccn2)c1 ZINC001439380010 1092122352 /nfs/dbraw/zinc/12/23/52/1092122352.db2.gz PRURMODBSPSZHT-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO N#Cc1ccccc1C[NH2+]C1(CNC(=O)CCc2cnc[nH]2)CCC1 ZINC001440323404 1093463660 /nfs/dbraw/zinc/46/36/60/1093463660.db2.gz OMRSQYUQRZFGPJ-UHFFFAOYSA-N 1 2 337.427 2.043 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1c(CC)c(CC)n[nH]c1=O ZINC001440926901 1094179004 /nfs/dbraw/zinc/17/90/04/1094179004.db2.gz CGBMKZWZJAWCEC-LLVKDONJSA-N 1 2 340.855 2.110 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1c(CC)c(CC)n[nH]c1=O ZINC001440926901 1094179007 /nfs/dbraw/zinc/17/90/07/1094179007.db2.gz CGBMKZWZJAWCEC-LLVKDONJSA-N 1 2 340.855 2.110 20 30 EEEDLO Cc1nnc(N(CCC#N)CC2CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001511806611 1118269601 /nfs/dbraw/zinc/26/96/01/1118269601.db2.gz LUZIOAJUWQNNLQ-UHFFFAOYSA-N 1 2 339.447 2.226 20 30 EEEDLO CON=Cc1ccc(C(=O)N2CCC[C@@H](c3c[nH+]cn3C)C2)cc1 ZINC001551829974 1124637066 /nfs/dbraw/zinc/63/70/66/1124637066.db2.gz FHUXXIQTKRTNAY-MRXNPFEDSA-N 1 2 326.400 2.420 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000058126863 214480127 /nfs/dbraw/zinc/48/01/27/214480127.db2.gz YCJANPCOOVIFJO-UHFFFAOYSA-N 1 2 329.444 2.018 20 30 EEEDLO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101729696 219160055 /nfs/dbraw/zinc/16/00/55/219160055.db2.gz SELLXAIIEUUVCC-HNNXBMFYSA-N 1 2 344.434 2.220 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NC[C@@H]1CC[C@@H](O)C1)C2 ZINC000329941392 539785978 /nfs/dbraw/zinc/78/59/78/539785978.db2.gz VAKQTZUXRVKUSE-HZSPNIEDSA-N 1 2 334.464 2.160 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+]C[C@@H]1CC[C@@H](O)C1)C2 ZINC000329941392 539785980 /nfs/dbraw/zinc/78/59/80/539785980.db2.gz VAKQTZUXRVKUSE-HZSPNIEDSA-N 1 2 334.464 2.160 20 30 EEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)CC1(CC#N)CC1 ZINC000333270343 539802172 /nfs/dbraw/zinc/80/21/72/539802172.db2.gz CIEGNXTYGCOFBV-CQSZACIVSA-N 1 2 336.461 2.454 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)ccn1 ZINC000194984174 240793983 /nfs/dbraw/zinc/79/39/83/240793983.db2.gz BLVYJAXWLWPCRD-QPJJXVBHSA-N 1 2 332.407 2.424 20 30 EEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C(C)(C)C(N)=O ZINC000451135756 243009874 /nfs/dbraw/zinc/00/98/74/243009874.db2.gz NEOHESWZGRQGSK-LBPRGKRZSA-N 1 2 348.472 2.073 20 30 EEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C(C)(C)C(N)=O ZINC000451135756 243009876 /nfs/dbraw/zinc/00/98/76/243009876.db2.gz NEOHESWZGRQGSK-LBPRGKRZSA-N 1 2 348.472 2.073 20 30 EEEDLO C#CCn1ccc(CN(CC)C(=O)NCc2c[nH+]c(C)cc2C)n1 ZINC000491395619 246016878 /nfs/dbraw/zinc/01/68/78/246016878.db2.gz UCOQCGGSOLUFRR-UHFFFAOYSA-N 1 2 325.416 2.260 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000491717463 533219779 /nfs/dbraw/zinc/21/97/79/533219779.db2.gz QTFLEJCSQITDRV-UHFFFAOYSA-N 1 2 342.399 2.382 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000491717463 533219782 /nfs/dbraw/zinc/21/97/82/533219782.db2.gz QTFLEJCSQITDRV-UHFFFAOYSA-N 1 2 342.399 2.382 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)s1 ZINC000271213333 256220864 /nfs/dbraw/zinc/22/08/64/256220864.db2.gz VTDFQYYARUTOMT-UHFFFAOYSA-N 1 2 326.425 2.041 20 30 EEEDLO CCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](CC)C(=O)OCC ZINC000276775231 256466797 /nfs/dbraw/zinc/46/67/97/256466797.db2.gz IICVLNALRSEFOJ-QGZVFWFLSA-N 1 2 345.443 2.228 20 30 EEEDLO CCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](CC)C(=O)OCC ZINC000276775231 256466799 /nfs/dbraw/zinc/46/67/99/256466799.db2.gz IICVLNALRSEFOJ-QGZVFWFLSA-N 1 2 345.443 2.228 20 30 EEEDLO C#C[C@@H](CCC)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000491695213 533242587 /nfs/dbraw/zinc/24/25/87/533242587.db2.gz XAEBTJAFDBUITB-ZWKOTPCHSA-N 1 2 329.444 2.161 20 30 EEEDLO C#C[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000491806212 533324983 /nfs/dbraw/zinc/32/49/83/533324983.db2.gz QPEBWWXVQJKTPY-ZBFHGGJFSA-N 1 2 326.375 2.433 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000068084455 159016376 /nfs/dbraw/zinc/01/63/76/159016376.db2.gz RZKLQGFQJKXCEQ-NEPJUHHUSA-N 1 2 348.472 2.231 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000068084455 159016378 /nfs/dbraw/zinc/01/63/78/159016378.db2.gz RZKLQGFQJKXCEQ-NEPJUHHUSA-N 1 2 348.472 2.231 20 30 EEEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CNc2ccc(C#N)cc2)C1 ZINC000120410132 159390945 /nfs/dbraw/zinc/39/09/45/159390945.db2.gz QCBFTWJRCOQCRO-MRXNPFEDSA-N 1 2 337.427 2.185 20 30 EEEDLO CN(Cc1ccc(C#N)cc1)c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000247010436 160305574 /nfs/dbraw/zinc/30/55/74/160305574.db2.gz CCXDUDNGVHWYOG-QGZVFWFLSA-N 1 2 337.427 2.193 20 30 EEEDLO CN(Cc1ccc(C#N)cc1)c1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000247010436 160305576 /nfs/dbraw/zinc/30/55/76/160305576.db2.gz CCXDUDNGVHWYOG-QGZVFWFLSA-N 1 2 337.427 2.193 20 30 EEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc(C#N)cc(N(C)C)c1)CCC2 ZINC000343466061 161138769 /nfs/dbraw/zinc/13/87/69/161138769.db2.gz NKRWOFYZMBHGKF-OAHLLOKOSA-N 1 2 337.427 2.437 20 30 EEEDLO Cc1ccnc(NC[C@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)c1C#N ZINC000359662587 164147268 /nfs/dbraw/zinc/14/72/68/164147268.db2.gz ROLIQFOVARVBSQ-LSDHHAIUSA-N 1 2 328.395 2.020 20 30 EEEDLO Cc1ccnc(NC[C@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)c1C#N ZINC000359662587 164147269 /nfs/dbraw/zinc/14/72/69/164147269.db2.gz ROLIQFOVARVBSQ-LSDHHAIUSA-N 1 2 328.395 2.020 20 30 EEEDLO COC[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000359874347 164188961 /nfs/dbraw/zinc/18/89/61/164188961.db2.gz IZOKTIJOYBPVKM-HZPDHXFCSA-N 1 2 329.444 2.121 20 30 EEEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc([S@](C)=O)cc1 ZINC000360209458 164258006 /nfs/dbraw/zinc/25/80/06/164258006.db2.gz PWGWBMDFUOZGEK-FPWDIPAHSA-N 1 2 341.436 2.173 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])s3)CC2)cc1 ZINC000282158097 270016829 /nfs/dbraw/zinc/01/68/29/270016829.db2.gz MWQZGYUTVVKBHB-UHFFFAOYSA-N 1 2 329.385 2.245 20 30 EEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000301188398 267129865 /nfs/dbraw/zinc/12/98/65/267129865.db2.gz KOYVCGXNFXBNOC-OAHLLOKOSA-N 1 2 326.444 2.128 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)o1 ZINC000286452816 268203522 /nfs/dbraw/zinc/20/35/22/268203522.db2.gz ITGKZCVPMSXALD-CQSZACIVSA-N 1 2 349.412 2.250 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@H]3F)CC2)cc1 ZINC000455106878 268220733 /nfs/dbraw/zinc/22/07/33/268220733.db2.gz NJMGFNGBNLCYGW-SJORKVTESA-N 1 2 330.407 2.276 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000521944017 268263471 /nfs/dbraw/zinc/26/34/71/268263471.db2.gz CGZKRJHJCQIRJR-GVDBMIGSSA-N 1 2 325.412 2.118 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000521944017 268263473 /nfs/dbraw/zinc/26/34/73/268263473.db2.gz CGZKRJHJCQIRJR-GVDBMIGSSA-N 1 2 325.412 2.118 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1 ZINC000296556309 268264957 /nfs/dbraw/zinc/26/49/57/268264957.db2.gz CDVFQBPZOCIHTP-UHFFFAOYSA-N 1 2 348.406 2.260 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1 ZINC000296556309 268264959 /nfs/dbraw/zinc/26/49/59/268264959.db2.gz CDVFQBPZOCIHTP-UHFFFAOYSA-N 1 2 348.406 2.260 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)[nH]1 ZINC000272724556 269013100 /nfs/dbraw/zinc/01/31/00/269013100.db2.gz GIHBOKOICWJRPE-UHFFFAOYSA-N 1 2 342.374 2.134 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)cc1C#N ZINC000425347789 279337421 /nfs/dbraw/zinc/33/74/21/279337421.db2.gz MFHHBROSQBLLQB-GASCZTMLSA-N 1 2 331.322 2.199 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)cc1C#N ZINC000425347789 279337423 /nfs/dbraw/zinc/33/74/23/279337423.db2.gz MFHHBROSQBLLQB-GASCZTMLSA-N 1 2 331.322 2.199 20 30 EEEDLO COc1cccc([C@H]2[C@H]([NH2+]Cc3ncc(C#N)cn3)CCN2C2CC2)c1 ZINC000563617022 319030547 /nfs/dbraw/zinc/03/05/47/319030547.db2.gz YHDMVSBIFGSAQC-QUCCMNQESA-N 1 2 349.438 2.424 20 30 EEEDLO COC(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)cn3)CC2)s1 ZINC000575812196 320116519 /nfs/dbraw/zinc/11/65/19/320116519.db2.gz IDZGOOZFUFHYQO-UHFFFAOYSA-N 1 2 342.424 2.124 20 30 EEEDLO CCN1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H]1c1ncc[nH]1 ZINC000576350636 320164310 /nfs/dbraw/zinc/16/43/10/320164310.db2.gz SDBJZVNNDQNPSE-MRXNPFEDSA-N 1 2 340.387 2.068 20 30 EEEDLO CCN1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H]1c1ncc[nH]1 ZINC000576350636 320164312 /nfs/dbraw/zinc/16/43/12/320164312.db2.gz SDBJZVNNDQNPSE-MRXNPFEDSA-N 1 2 340.387 2.068 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC000580930673 324153212 /nfs/dbraw/zinc/15/32/12/324153212.db2.gz YWZXYJIRTHUTDA-KRWDZBQOSA-N 1 2 341.436 2.216 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC000580930673 324153215 /nfs/dbraw/zinc/15/32/15/324153215.db2.gz YWZXYJIRTHUTDA-KRWDZBQOSA-N 1 2 341.436 2.216 20 30 EEEDLO Cc1nc(N2CCN(c3ccc(C(F)(F)F)c(C#N)n3)CC2)cc[nH+]1 ZINC000582014996 324362590 /nfs/dbraw/zinc/36/25/90/324362590.db2.gz WPSOIPHISQKXLV-UHFFFAOYSA-N 1 2 348.332 2.397 20 30 EEEDLO C#CCNC(=O)c1ccc(NCc2cccc(-n3cc[nH+]c3)c2)nc1 ZINC000490651658 447894170 /nfs/dbraw/zinc/89/41/70/447894170.db2.gz USBLBPWEGRTXAD-UHFFFAOYSA-N 1 2 331.379 2.242 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)n3CC)[C@@H]2CC)C1 ZINC001087714401 782114696 /nfs/dbraw/zinc/11/46/96/782114696.db2.gz LLWSIOZBZAHXLA-JKSUJKDBSA-N 1 2 345.491 2.432 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)n3CC)[C@@H]2CC)C1 ZINC001087714401 782114701 /nfs/dbraw/zinc/11/47/01/782114701.db2.gz LLWSIOZBZAHXLA-JKSUJKDBSA-N 1 2 345.491 2.432 20 30 EEEDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)NC2(C#N)CCCCC2)o1 ZINC000184799540 465027264 /nfs/dbraw/zinc/02/72/64/465027264.db2.gz AWZWENKHWDQFCT-HNNXBMFYSA-N 1 2 333.432 2.462 20 30 EEEDLO CC(C)[C@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)c1[nH]cc[nH+]1 ZINC000296079973 465074157 /nfs/dbraw/zinc/07/41/57/465074157.db2.gz PXNDNKPESLDKLS-AWEZNQCLSA-N 1 2 336.392 2.237 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N[C@H]1CC[C@H](O)CC1)C2 ZINC000328669728 465096304 /nfs/dbraw/zinc/09/63/04/465096304.db2.gz FJQSWYXPLKTOQG-MGPQQGTHSA-N 1 2 334.464 2.303 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC([O-])=[NH+][C@H]1CC[C@H](O)CC1)C2 ZINC000328669728 465096310 /nfs/dbraw/zinc/09/63/10/465096310.db2.gz FJQSWYXPLKTOQG-MGPQQGTHSA-N 1 2 334.464 2.303 20 30 EEEDLO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000328719835 465109608 /nfs/dbraw/zinc/10/96/08/465109608.db2.gz GMOWIGKTUGBZCE-XQLPTFJDSA-N 1 2 330.432 2.461 20 30 EEEDLO CC1(C)NC(=O)CC[C@@H]1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000328760181 465121787 /nfs/dbraw/zinc/12/17/87/465121787.db2.gz XGIGPRDDIXACPC-OLZOCXBDSA-N 1 2 331.420 2.061 20 30 EEEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000328946086 465178175 /nfs/dbraw/zinc/17/81/75/465178175.db2.gz MGACQIKTTZDZQR-UONOGXRCSA-N 1 2 345.447 2.151 20 30 EEEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000328946086 465178177 /nfs/dbraw/zinc/17/81/77/465178177.db2.gz MGACQIKTTZDZQR-UONOGXRCSA-N 1 2 345.447 2.151 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@@H]2CCSC2)CCC(=O)N1C1CC1 ZINC000329019544 465205947 /nfs/dbraw/zinc/20/59/47/465205947.db2.gz LJDNBBPEYUSDFA-AXAPSJFSSA-N 1 2 348.472 2.324 20 30 EEEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1OC ZINC000298087682 465296716 /nfs/dbraw/zinc/29/67/16/465296716.db2.gz PIIWBOOFHBEZSQ-NSHDSACASA-N 1 2 339.233 2.027 20 30 EEEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1cc(Br)ccc1OC ZINC000298087682 465296721 /nfs/dbraw/zinc/29/67/21/465296721.db2.gz PIIWBOOFHBEZSQ-NSHDSACASA-N 1 2 339.233 2.027 20 30 EEEDLO Cc1n[nH]c(C)c1[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329722409 465416381 /nfs/dbraw/zinc/41/63/81/465416381.db2.gz NJKHMUXNYVJAPG-WFASDCNBSA-N 1 2 328.420 2.358 20 30 EEEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000337511927 465407759 /nfs/dbraw/zinc/40/77/59/465407759.db2.gz JJPJQUFPOMRJGL-OAHLLOKOSA-N 1 2 331.441 2.210 20 30 EEEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000337511927 465407767 /nfs/dbraw/zinc/40/77/67/465407767.db2.gz JJPJQUFPOMRJGL-OAHLLOKOSA-N 1 2 331.441 2.210 20 30 EEEDLO Cc1n[nH]c(C)c1[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329722409 465416378 /nfs/dbraw/zinc/41/63/78/465416378.db2.gz NJKHMUXNYVJAPG-WFASDCNBSA-N 1 2 328.420 2.358 20 30 EEEDLO N#C[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CCN1Cc1ccccc1 ZINC000074673944 462623589 /nfs/dbraw/zinc/62/35/89/462623589.db2.gz KYVRDQNOVLMOOL-GOSISDBHSA-N 1 2 345.406 2.184 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000088523653 462632946 /nfs/dbraw/zinc/63/29/46/462632946.db2.gz GYMCNNJGIDQJIS-IBGZPJMESA-N 1 2 338.455 2.069 20 30 EEEDLO CCN(C(=O)CO[NH+]=C(N)Cc1csc(C)n1)C1CCCCC1 ZINC000063456893 462646276 /nfs/dbraw/zinc/64/62/76/462646276.db2.gz CKHIRHIKQOSGDZ-UHFFFAOYSA-N 1 2 338.477 2.464 20 30 EEEDLO C#CCNC(=O)C1CCN(c2cc(CC)[nH+]c(-c3ccncc3)n2)CC1 ZINC000491154701 468311202 /nfs/dbraw/zinc/31/12/02/468311202.db2.gz LNVCBBLKLUDSIU-UHFFFAOYSA-N 1 2 349.438 2.067 20 30 EEEDLO C[C@H]1CCN(C(=O)Nc2ccn(CCC#N)n2)C[C@H]1n1cc[nH+]c1 ZINC000130592716 462766528 /nfs/dbraw/zinc/76/65/28/462766528.db2.gz ZHTQEUVEXINUMR-UONOGXRCSA-N 1 2 327.392 2.108 20 30 EEEDLO N#Cc1ccccc1OCC[NH+]1CCN(c2ncccc2F)CC1 ZINC000090632495 462804772 /nfs/dbraw/zinc/80/47/72/462804772.db2.gz NNMRPMGYAJLFNO-UHFFFAOYSA-N 1 2 326.375 2.293 20 30 EEEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)NC1CCOCC1 ZINC000076154021 462815545 /nfs/dbraw/zinc/81/55/45/462815545.db2.gz UTAZPXVLHJYJOY-ZWKOTPCHSA-N 1 2 327.428 2.053 20 30 EEEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)NC1CCOCC1 ZINC000076154021 462815550 /nfs/dbraw/zinc/81/55/50/462815550.db2.gz UTAZPXVLHJYJOY-ZWKOTPCHSA-N 1 2 327.428 2.053 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCc2n[nH]cc2C1 ZINC000091078970 462831022 /nfs/dbraw/zinc/83/10/22/462831022.db2.gz DHCNKZCDWOYDQG-CYBMUJFWSA-N 1 2 330.457 2.433 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCc2n[nH]cc2C1 ZINC000091078970 462831023 /nfs/dbraw/zinc/83/10/23/462831023.db2.gz DHCNKZCDWOYDQG-CYBMUJFWSA-N 1 2 330.457 2.433 20 30 EEEDLO COc1cccc(C[NH+]2CCN(c3cnccc3C#N)CC2)c1OC ZINC000579189890 468320746 /nfs/dbraw/zinc/32/07/46/468320746.db2.gz UTLUICPNSXRASK-UHFFFAOYSA-N 1 2 338.411 2.293 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000076748296 462907843 /nfs/dbraw/zinc/90/78/43/462907843.db2.gz XGKWFDQFLPJVGV-UHFFFAOYSA-N 1 2 325.416 2.066 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000076748296 462907846 /nfs/dbraw/zinc/90/78/46/462907846.db2.gz XGKWFDQFLPJVGV-UHFFFAOYSA-N 1 2 325.416 2.066 20 30 EEEDLO N#Cc1csc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000535785579 468330994 /nfs/dbraw/zinc/33/09/94/468330994.db2.gz KWJFCJZQSHBWPU-UHFFFAOYSA-N 1 2 329.385 2.245 20 30 EEEDLO N#Cc1ccsc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000052028710 463059314 /nfs/dbraw/zinc/05/93/14/463059314.db2.gz FNNNZSOHOVAOFC-MRXNPFEDSA-N 1 2 341.436 2.251 20 30 EEEDLO N#Cc1ccsc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000052028710 463059316 /nfs/dbraw/zinc/05/93/16/463059316.db2.gz FNNNZSOHOVAOFC-MRXNPFEDSA-N 1 2 341.436 2.251 20 30 EEEDLO N#Cc1c(NC(=O)C[N@H+]2CCC[C@H](O)C2)sc2c1CCCCC2 ZINC000023991906 463075286 /nfs/dbraw/zinc/07/52/86/463075286.db2.gz DQNCJNGAVGPTJV-LBPRGKRZSA-N 1 2 333.457 2.284 20 30 EEEDLO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@H](O)C2)sc2c1CCCCC2 ZINC000023991906 463075290 /nfs/dbraw/zinc/07/52/90/463075290.db2.gz DQNCJNGAVGPTJV-LBPRGKRZSA-N 1 2 333.457 2.284 20 30 EEEDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000068428434 463134600 /nfs/dbraw/zinc/13/46/00/463134600.db2.gz VBNUALRIHLSYHG-UHFFFAOYSA-N 1 2 334.851 2.202 20 30 EEEDLO CCc1noc([C@@H](C)O[NH+]=C(N)c2ccc(N3CCCCC3)nc2)n1 ZINC000123403569 463338998 /nfs/dbraw/zinc/33/89/98/463338998.db2.gz BERTVLHKJAEVEG-GFCCVEGCSA-N 1 2 344.419 2.415 20 30 EEEDLO Cc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c(C)n1C1CC1 ZINC000070920473 463393311 /nfs/dbraw/zinc/39/33/11/463393311.db2.gz QHYCVMDGWWHWGJ-UHFFFAOYSA-N 1 2 344.459 2.128 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccccc1OC(F)F ZINC000081158268 463399697 /nfs/dbraw/zinc/39/96/97/463399697.db2.gz SGRQVRYOJIDSSM-UHFFFAOYSA-N 1 2 339.386 2.336 20 30 EEEDLO C=CCNC(=O)c1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000056638896 463414390 /nfs/dbraw/zinc/41/43/90/463414390.db2.gz MUQSEGCPABIUKM-UHFFFAOYSA-N 1 2 341.415 2.401 20 30 EEEDLO N#CC1(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCCCC1 ZINC000057386386 463483561 /nfs/dbraw/zinc/48/35/61/463483561.db2.gz HKBCEBQUUGKFNO-UHFFFAOYSA-N 1 2 328.416 2.008 20 30 EEEDLO C=CCNC(=O)C[N@@H+](CCC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000057851890 463523797 /nfs/dbraw/zinc/52/37/97/463523797.db2.gz YIOFACYHOZYMKR-UHFFFAOYSA-N 1 2 343.349 2.057 20 30 EEEDLO C=CCNC(=O)C[N@H+](CCC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000057851890 463523800 /nfs/dbraw/zinc/52/38/00/463523800.db2.gz YIOFACYHOZYMKR-UHFFFAOYSA-N 1 2 343.349 2.057 20 30 EEEDLO Cc1cc(N)nc(S[C@H]2CCN(c3sccc3C#N)C2=O)[nH+]1 ZINC000083090899 463534801 /nfs/dbraw/zinc/53/48/01/463534801.db2.gz DGYQPBXAHOHJQR-JTQLQIEISA-N 1 2 331.426 2.198 20 30 EEEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000058217220 463554518 /nfs/dbraw/zinc/55/45/18/463554518.db2.gz RPRQAHJREQNNBG-HNNXBMFYSA-N 1 2 341.415 2.001 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCCc2ccccc21 ZINC000058411558 463594684 /nfs/dbraw/zinc/59/46/84/463594684.db2.gz JCMDIOPSKRZIGR-IBGZPJMESA-N 1 2 341.455 2.181 20 30 EEEDLO N#CCNC(=O)C[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126499868 463641385 /nfs/dbraw/zinc/64/13/85/463641385.db2.gz FXALBBWOIBJSNF-NSHDSACASA-N 1 2 328.199 2.086 20 30 EEEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126499868 463641388 /nfs/dbraw/zinc/64/13/88/463641388.db2.gz FXALBBWOIBJSNF-NSHDSACASA-N 1 2 328.199 2.086 20 30 EEEDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)o1 ZINC000541681802 468379685 /nfs/dbraw/zinc/37/96/85/468379685.db2.gz LIVORARYNNQIHK-HASVCBABSA-N 1 2 333.436 2.348 20 30 EEEDLO CCOC1CC(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000287245325 463845187 /nfs/dbraw/zinc/84/51/87/463845187.db2.gz JKJOGHTVMIHLCA-UHFFFAOYSA-N 1 2 327.428 2.018 20 30 EEEDLO C=CCSCCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000194562574 463884822 /nfs/dbraw/zinc/88/48/22/463884822.db2.gz HHAKSTQOLJHVMY-KRWDZBQOSA-N 1 2 349.500 2.278 20 30 EEEDLO N#Cc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000194838181 463940886 /nfs/dbraw/zinc/94/08/86/463940886.db2.gz JXCLYZSLCNLURZ-UHFFFAOYSA-N 1 2 349.434 2.249 20 30 EEEDLO Cc1cc(NC(=O)C(=O)NC[C@@H](C)C#N)ccc1Oc1cc[nH+]cc1 ZINC000194874757 463947930 /nfs/dbraw/zinc/94/79/30/463947930.db2.gz AQWMZLWISKBQBN-LBPRGKRZSA-N 1 2 338.367 2.397 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000172150046 464001491 /nfs/dbraw/zinc/00/14/91/464001491.db2.gz VIBZIRZGFBATQP-MRXNPFEDSA-N 1 2 334.423 2.401 20 30 EEEDLO C#C[C@@H](NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)C(C)(C)C ZINC000288229705 464036330 /nfs/dbraw/zinc/03/63/30/464036330.db2.gz ALOOMCUWWIICCL-OAHLLOKOSA-N 1 2 338.411 2.190 20 30 EEEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@H](CO)c2ccccc2)c(C#N)c1C ZINC000269620156 464036996 /nfs/dbraw/zinc/03/69/96/464036996.db2.gz UEFAWRRKXDKLNZ-MRXNPFEDSA-N 1 2 327.384 2.372 20 30 EEEDLO Cc1oc(NC(=O)C[N@H+](C)[C@H](CO)c2ccccc2)c(C#N)c1C ZINC000269620156 464036999 /nfs/dbraw/zinc/03/69/99/464036999.db2.gz UEFAWRRKXDKLNZ-MRXNPFEDSA-N 1 2 327.384 2.372 20 30 EEEDLO C=CCC[C@@H](NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000283908963 464037599 /nfs/dbraw/zinc/03/75/99/464037599.db2.gz MIGIABLBMFBQCU-DOTOQJQBSA-N 1 2 340.427 2.212 20 30 EEEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCCOC3CCC3)cn2)n1 ZINC000288625562 464052444 /nfs/dbraw/zinc/05/24/44/464052444.db2.gz OXUSTCSFWCTCIV-UHFFFAOYSA-N 1 2 329.404 2.090 20 30 EEEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)O[NH+]=C(N)[C@@H]1CCCO1 ZINC000283973405 464054926 /nfs/dbraw/zinc/05/49/26/464054926.db2.gz GKXAAEKKXBJMCG-ZANVPECISA-N 1 2 341.795 2.143 20 30 EEEDLO CC(C)[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)c1[nH]cc[nH+]1 ZINC000288875394 464061446 /nfs/dbraw/zinc/06/14/46/464061446.db2.gz HEWNXVHHZPTUKM-GFCCVEGCSA-N 1 2 340.355 2.235 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)o1 ZINC000289369175 464075760 /nfs/dbraw/zinc/07/57/60/464075760.db2.gz BBJWNQGYZUFVEC-UHFFFAOYSA-N 1 2 346.412 2.025 20 30 EEEDLO Cc1cnn([C@@H]2CC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)c1 ZINC000289699901 464090391 /nfs/dbraw/zinc/09/03/91/464090391.db2.gz BSHWBDMDCOSLGW-CABCVRRESA-N 1 2 341.440 2.177 20 30 EEEDLO Cc1cnn([C@@H]2CC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)c1 ZINC000289699901 464090396 /nfs/dbraw/zinc/09/03/96/464090396.db2.gz BSHWBDMDCOSLGW-CABCVRRESA-N 1 2 341.440 2.177 20 30 EEEDLO N#Cc1ccc(/C=C\C(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000207521062 464100351 /nfs/dbraw/zinc/10/03/51/464100351.db2.gz PVIGGUYSOZQHIL-HJWRWDBZSA-N 1 2 332.407 2.311 20 30 EEEDLO CCOC(=O)Nc1ccc(NC(=O)NCCn2cc[nH+]c2)cc1C#N ZINC000269861622 464114888 /nfs/dbraw/zinc/11/48/88/464114888.db2.gz UVONYCJNZKPQNV-UHFFFAOYSA-N 1 2 342.359 2.145 20 30 EEEDLO C#CC[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000270232401 464227320 /nfs/dbraw/zinc/22/73/20/464227320.db2.gz INTUNBIRVRFWRW-MOPGFXCFSA-N 1 2 341.455 2.257 20 30 EEEDLO CC(C)[C@H](NC(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1ccc(F)cc1 ZINC000284527140 464229727 /nfs/dbraw/zinc/22/97/27/464229727.db2.gz UWAZOOPDLUIYRE-ZBFHGGJFSA-N 1 2 337.395 2.107 20 30 EEEDLO N#Cc1c(NCc2ccc(N3CCOCC3)[nH+]c2)nc2ccccn21 ZINC000263957720 464252925 /nfs/dbraw/zinc/25/29/25/464252925.db2.gz GYCYWFQBJJOXCM-UHFFFAOYSA-N 1 2 334.383 2.050 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[NH2+][C@@H](c2ccccc2OC)C1 ZINC000337588194 465453677 /nfs/dbraw/zinc/45/36/77/465453677.db2.gz LUJKEMILGPGFMM-MRXNPFEDSA-N 1 2 325.412 2.469 20 30 EEEDLO C=CCOc1cccc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000284790994 464341686 /nfs/dbraw/zinc/34/16/86/464341686.db2.gz LLFPEUNTAMBEKI-SJORKVTESA-N 1 2 331.416 2.188 20 30 EEEDLO C=CCOc1cccc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000284790994 464341692 /nfs/dbraw/zinc/34/16/92/464341692.db2.gz LLFPEUNTAMBEKI-SJORKVTESA-N 1 2 331.416 2.188 20 30 EEEDLO C=C1CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000264506871 464353307 /nfs/dbraw/zinc/35/33/07/464353307.db2.gz WQYWRMCZCYASKB-UHFFFAOYSA-N 1 2 329.444 2.109 20 30 EEEDLO C=CC[N@@H+](CCOc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000264534249 464363683 /nfs/dbraw/zinc/36/36/83/464363683.db2.gz FTKBTYHOUCTBIB-OAHLLOKOSA-N 1 2 339.457 2.139 20 30 EEEDLO C=CC[N@H+](CCOc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000264534249 464363686 /nfs/dbraw/zinc/36/36/86/464363686.db2.gz FTKBTYHOUCTBIB-OAHLLOKOSA-N 1 2 339.457 2.139 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2cc(F)ccc2C)C1=O ZINC000281233298 464380469 /nfs/dbraw/zinc/38/04/69/464380469.db2.gz FOMAVPBXYPTGSL-CJNGLKHVSA-N 1 2 333.407 2.180 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2cc(F)ccc2C)C1=O ZINC000281233298 464380475 /nfs/dbraw/zinc/38/04/75/464380475.db2.gz FOMAVPBXYPTGSL-CJNGLKHVSA-N 1 2 333.407 2.180 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000281238285 464383014 /nfs/dbraw/zinc/38/30/14/464383014.db2.gz FJCSCFCHZYDVCF-WMZOPIPTSA-N 1 2 344.459 2.462 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccccc2Cl)C1=O ZINC000281332800 464416656 /nfs/dbraw/zinc/41/66/56/464416656.db2.gz LXCDSWIBRXGMPD-CJNGLKHVSA-N 1 2 349.862 2.236 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2ccccc2Cl)C1=O ZINC000281332800 464416663 /nfs/dbraw/zinc/41/66/63/464416663.db2.gz LXCDSWIBRXGMPD-CJNGLKHVSA-N 1 2 349.862 2.236 20 30 EEEDLO Cc1ccnc(N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2ccnn2C)c1C#N ZINC000281345457 464422352 /nfs/dbraw/zinc/42/23/52/464422352.db2.gz BWQIUPUFFZVOMG-HOCLYGCPSA-N 1 2 342.422 2.044 20 30 EEEDLO Cc1ccnc(N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2ccnn2C)c1C#N ZINC000281345457 464422359 /nfs/dbraw/zinc/42/23/59/464422359.db2.gz BWQIUPUFFZVOMG-HOCLYGCPSA-N 1 2 342.422 2.044 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000281526781 464491492 /nfs/dbraw/zinc/49/14/92/464491492.db2.gz LFVKPLSPWSITEH-YVSFHVDLSA-N 1 2 332.448 2.457 20 30 EEEDLO CN(C)c1cc(C#N)cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000294440686 464501034 /nfs/dbraw/zinc/50/10/34/464501034.db2.gz ZYPOEEQDWIHZHK-INIZCTEOSA-N 1 2 335.411 2.028 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000281630629 464527979 /nfs/dbraw/zinc/52/79/79/464527979.db2.gz XMYJROKKXLNBSX-FUHWJXTLSA-N 1 2 344.459 2.462 20 30 EEEDLO C=CCN(CCc1ccco1)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000272369610 464581904 /nfs/dbraw/zinc/58/19/04/464581904.db2.gz RRGKKEUPQMXLMK-JKSUJKDBSA-N 1 2 335.448 2.129 20 30 EEEDLO C=CC(C)(C)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000294766071 464599167 /nfs/dbraw/zinc/59/91/67/464599167.db2.gz QLCGQCQLFAWWMI-UHFFFAOYSA-N 1 2 332.444 2.226 20 30 EEEDLO C#C[C@H](NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1)C(C)C ZINC000282381847 464796363 /nfs/dbraw/zinc/79/63/63/464796363.db2.gz XLEOAUFBRBVDFP-ZWKOTPCHSA-N 1 2 329.444 2.017 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2Cc2ccc(F)c(C#N)c2)O1 ZINC000282396244 464803618 /nfs/dbraw/zinc/80/36/18/464803618.db2.gz HHTQXQPOUQVRNQ-AHBIMHKDSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2Cc2ccc(F)c(C#N)c2)O1 ZINC000282396244 464803621 /nfs/dbraw/zinc/80/36/21/464803621.db2.gz HHTQXQPOUQVRNQ-AHBIMHKDSA-N 1 2 332.375 2.381 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000249152376 464847597 /nfs/dbraw/zinc/84/75/97/464847597.db2.gz XYXJPOPGUDCMAC-HZPDHXFCSA-N 1 2 346.450 2.344 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000249152376 464847604 /nfs/dbraw/zinc/84/76/04/464847604.db2.gz XYXJPOPGUDCMAC-HZPDHXFCSA-N 1 2 346.450 2.344 20 30 EEEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H](CO)O1 ZINC000249373910 464867681 /nfs/dbraw/zinc/86/76/81/464867681.db2.gz PMHJFFVAMYFUFT-DOMZBBRYSA-N 1 2 329.318 2.018 20 30 EEEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H](CO)O1 ZINC000249373910 464867686 /nfs/dbraw/zinc/86/76/86/464867686.db2.gz PMHJFFVAMYFUFT-DOMZBBRYSA-N 1 2 329.318 2.018 20 30 EEEDLO COC(=O)c1cccc(OCC(N)=[NH+]OCc2ccn(C(C)C)n2)c1 ZINC000267027266 464908619 /nfs/dbraw/zinc/90/86/19/464908619.db2.gz UEGPIFXRBWBGBD-UHFFFAOYSA-N 1 2 346.387 2.118 20 30 EEEDLO C[C@]1(CNC(=O)Nc2ccccc2C[NH+]2CCOCC2)CCOC1 ZINC000329407613 465323674 /nfs/dbraw/zinc/32/36/74/465323674.db2.gz ZQAYYCLUABOPIP-GOSISDBHSA-N 1 2 333.432 2.271 20 30 EEEDLO N#Cc1csc(CN2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)n1 ZINC000356357618 465335696 /nfs/dbraw/zinc/33/56/96/465335696.db2.gz YJBSCBOHVKJNJL-IRXDYDNUSA-N 1 2 340.452 2.100 20 30 EEEDLO N#Cc1csc(CN2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)n1 ZINC000356357618 465335700 /nfs/dbraw/zinc/33/57/00/465335700.db2.gz YJBSCBOHVKJNJL-IRXDYDNUSA-N 1 2 340.452 2.100 20 30 EEEDLO O=C(Nc1cnc2c(c1)CCCC2)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329473030 465345213 /nfs/dbraw/zinc/34/52/13/465345213.db2.gz SLSKATVUUPZVDK-KRWDZBQOSA-N 1 2 344.459 2.303 20 30 EEEDLO C=CCN(Cc1[nH+]cc(C)n1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000342799428 465352322 /nfs/dbraw/zinc/35/23/22/465352322.db2.gz NSVHBWPRXCWKGK-HNNXBMFYSA-N 1 2 337.431 2.453 20 30 EEEDLO C=CC[N@H+](Cc1ncc(C)n1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000342799428 465352327 /nfs/dbraw/zinc/35/23/27/465352327.db2.gz NSVHBWPRXCWKGK-HNNXBMFYSA-N 1 2 337.431 2.453 20 30 EEEDLO C=CC[N@@H+](Cc1ncc(C)n1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000342799428 465352330 /nfs/dbraw/zinc/35/23/30/465352330.db2.gz NSVHBWPRXCWKGK-HNNXBMFYSA-N 1 2 337.431 2.453 20 30 EEEDLO CC(C)C(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000298586231 465440900 /nfs/dbraw/zinc/44/09/00/465440900.db2.gz WXTQRMBDLCYZSM-CQSZACIVSA-N 1 2 342.443 2.122 20 30 EEEDLO O=C(C[N@H+]1CCSC[C@H]1CCO)Nc1nc2c(s1)CCC2 ZINC000329969286 465490354 /nfs/dbraw/zinc/49/03/54/465490354.db2.gz WMQYWKWNHCZDFE-SNVBAGLBSA-N 1 2 327.475 2.020 20 30 EEEDLO O=C(C[N@@H+]1CCSC[C@H]1CCO)Nc1nc2c(s1)CCC2 ZINC000329969286 465490356 /nfs/dbraw/zinc/49/03/56/465490356.db2.gz WMQYWKWNHCZDFE-SNVBAGLBSA-N 1 2 327.475 2.020 20 30 EEEDLO C=C(C)COc1cc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)ccc1OC ZINC000360058807 465526963 /nfs/dbraw/zinc/52/69/63/465526963.db2.gz NZNLOKNIYJRIFN-OAHLLOKOSA-N 1 2 332.400 2.287 20 30 EEEDLO C=C(C)COc1cc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)ccc1OC ZINC000360058807 465526966 /nfs/dbraw/zinc/52/69/66/465526966.db2.gz NZNLOKNIYJRIFN-OAHLLOKOSA-N 1 2 332.400 2.287 20 30 EEEDLO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352483835 465533251 /nfs/dbraw/zinc/53/32/51/465533251.db2.gz JXTHQZJHZAJDPS-LBPRGKRZSA-N 1 2 339.361 2.340 20 30 EEEDLO CC(C)N(C(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1)C(C)C ZINC000299039001 465571657 /nfs/dbraw/zinc/57/16/57/465571657.db2.gz JEJDDJKOOMSMTG-INIZCTEOSA-N 1 2 343.475 2.109 20 30 EEEDLO CC[C@H]1CCN1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000330222635 465574625 /nfs/dbraw/zinc/57/46/25/465574625.db2.gz RZXCYZQYSZENEO-DXCKQFNASA-N 1 2 345.447 2.013 20 30 EEEDLO N#CCOc1ccccc1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000299106218 465606237 /nfs/dbraw/zinc/60/62/37/465606237.db2.gz VGMQFMYGSNEGBE-UHFFFAOYSA-N 1 2 325.368 2.140 20 30 EEEDLO CCN1CCN(C(=O)Nc2ccc(F)cc2OC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330318658 465610461 /nfs/dbraw/zinc/61/04/61/465610461.db2.gz COKNJYZPPABGGJ-CQSZACIVSA-N 1 2 347.394 2.482 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CCOC1)CCC2 ZINC000330329595 465615114 /nfs/dbraw/zinc/61/51/14/465615114.db2.gz MQZURRWANNQQMM-QWHCGFSZSA-N 1 2 329.404 2.301 20 30 EEEDLO C=CCOc1ccccc1C[NH+]1CCN([C@@H](CC)C(=O)OC)CC1 ZINC000348544868 465673959 /nfs/dbraw/zinc/67/39/59/465673959.db2.gz BOSAYFDXYQDUPC-KRWDZBQOSA-N 1 2 332.444 2.321 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000299282800 465681474 /nfs/dbraw/zinc/68/14/74/465681474.db2.gz CMNHAVDNHPWLSD-QGZVFWFLSA-N 1 2 332.444 2.191 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000299284063 465681554 /nfs/dbraw/zinc/68/15/54/465681554.db2.gz CYSDTABJJOSTOJ-SJLPKXTDSA-N 1 2 332.444 2.157 20 30 EEEDLO CC(C)c1nc([C@H]2CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)no1 ZINC000330503472 465685067 /nfs/dbraw/zinc/68/50/67/465685067.db2.gz ZGISWYWYAQVOOY-KBXCAEBGSA-N 1 2 347.463 2.427 20 30 EEEDLO CC(C)c1nc([C@H]2CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)no1 ZINC000330503472 465685075 /nfs/dbraw/zinc/68/50/75/465685075.db2.gz ZGISWYWYAQVOOY-KBXCAEBGSA-N 1 2 347.463 2.427 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000340074496 465743462 /nfs/dbraw/zinc/74/34/62/465743462.db2.gz LLGFHRVRQUFZSO-UHFFFAOYSA-N 1 2 329.444 2.032 20 30 EEEDLO CC#CCCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000361248162 465861258 /nfs/dbraw/zinc/86/12/58/465861258.db2.gz OKDSMSSTGDYFKC-GOSISDBHSA-N 1 2 329.444 2.081 20 30 EEEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000594023347 468464375 /nfs/dbraw/zinc/46/43/75/468464375.db2.gz QXZUBNLDQFKIMR-GPMSIDNRSA-N 1 2 341.455 2.058 20 30 EEEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CCCCC2(C)C)CCO1 ZINC000331254238 465999827 /nfs/dbraw/zinc/99/98/27/465999827.db2.gz WUMWMDLTOWTLQG-KGLIPLIRSA-N 1 2 340.468 2.037 20 30 EEEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CCCCC2(C)C)CCO1 ZINC000331254238 465999837 /nfs/dbraw/zinc/99/98/37/465999837.db2.gz WUMWMDLTOWTLQG-KGLIPLIRSA-N 1 2 340.468 2.037 20 30 EEEDLO CC[C@H](C)c1nc(C)c(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c(C)n1 ZINC000594024126 468465601 /nfs/dbraw/zinc/46/56/01/468465601.db2.gz CGCBHWRUMMDETD-SGTLLEGYSA-N 1 2 331.464 2.110 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000357434245 466035295 /nfs/dbraw/zinc/03/52/95/466035295.db2.gz IQBVTFLNQDUPIZ-ZDUSSCGKSA-N 1 2 345.834 2.182 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000357434245 466035301 /nfs/dbraw/zinc/03/53/01/466035301.db2.gz IQBVTFLNQDUPIZ-ZDUSSCGKSA-N 1 2 345.834 2.182 20 30 EEEDLO C=CCN(CCOC)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000357442793 466043412 /nfs/dbraw/zinc/04/34/12/466043412.db2.gz UZWVSIWBFVSABD-UHFFFAOYSA-N 1 2 328.416 2.275 20 30 EEEDLO N#CC1(c2ccc(C(=O)N3CC[NH2+][C@H](c4ccncc4)C3)cc2)CC1 ZINC000367093849 466126546 /nfs/dbraw/zinc/12/65/46/466126546.db2.gz VIHWJZFKOWPIRV-SFHVURJKSA-N 1 2 332.407 2.423 20 30 EEEDLO C#Cc1cccc(NC(=O)CN(C)c2nc(N)c3ccccc3[nH+]2)c1 ZINC000302699203 466169874 /nfs/dbraw/zinc/16/98/74/466169874.db2.gz XBXPTIHFYOMUPQ-UHFFFAOYSA-N 1 2 331.379 2.268 20 30 EEEDLO N#C[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1cccc(Br)c1 ZINC000346846530 466196695 /nfs/dbraw/zinc/19/66/95/466196695.db2.gz LFQUUTZQLPDJTA-LBPRGKRZSA-N 1 2 333.189 2.486 20 30 EEEDLO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000372194959 466217545 /nfs/dbraw/zinc/21/75/45/466217545.db2.gz DMTKZWRXIDNIRY-IAGOWNOFSA-N 1 2 335.473 2.088 20 30 EEEDLO CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000372194959 466217554 /nfs/dbraw/zinc/21/75/54/466217554.db2.gz DMTKZWRXIDNIRY-IAGOWNOFSA-N 1 2 335.473 2.088 20 30 EEEDLO C=CCNC(=O)Cc1noc([C@@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000346957180 466280675 /nfs/dbraw/zinc/28/06/75/466280675.db2.gz GIEGHWLUIQIYPE-OAHLLOKOSA-N 1 2 334.807 2.219 20 30 EEEDLO C=CCNC(=O)Cc1noc(C(C)(C)Cc2[nH]c3ccccc3[nH+]2)n1 ZINC000346966304 466287315 /nfs/dbraw/zinc/28/73/15/466287315.db2.gz MECXMSKVRIOISA-UHFFFAOYSA-N 1 2 339.399 2.311 20 30 EEEDLO C=CCOCC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000354068372 466335600 /nfs/dbraw/zinc/33/56/00/466335600.db2.gz ODBBXZPNQKKIMU-UHFFFAOYSA-N 1 2 338.835 2.066 20 30 EEEDLO Cc1onc(CC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)c1C#N ZINC000354382656 466524256 /nfs/dbraw/zinc/52/42/56/466524256.db2.gz GHLFTJPZDPDIQX-UHFFFAOYSA-N 1 2 339.399 2.099 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)nc1 ZINC000569495162 468500490 /nfs/dbraw/zinc/50/04/90/468500490.db2.gz CYZSCOWDYIRZDK-QGZVFWFLSA-N 1 2 339.374 2.488 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)nc1 ZINC000569495162 468500492 /nfs/dbraw/zinc/50/04/92/468500492.db2.gz CYZSCOWDYIRZDK-QGZVFWFLSA-N 1 2 339.374 2.488 20 30 EEEDLO C=C(C)COc1cccc(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)c1 ZINC000347392105 466606790 /nfs/dbraw/zinc/60/67/90/466606790.db2.gz YTBKCVBPAKGRCX-MRXNPFEDSA-N 1 2 332.448 2.009 20 30 EEEDLO C=C(C)COc1cccc(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)c1 ZINC000347392105 466606796 /nfs/dbraw/zinc/60/67/96/466606796.db2.gz YTBKCVBPAKGRCX-MRXNPFEDSA-N 1 2 332.448 2.009 20 30 EEEDLO Cc1c(C#N)cccc1C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000347399318 466611691 /nfs/dbraw/zinc/61/16/91/466611691.db2.gz ZEIXCIZODLZQBC-KRWDZBQOSA-N 1 2 338.411 2.498 20 30 EEEDLO N#CCSCC(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000364974401 466725876 /nfs/dbraw/zinc/72/58/76/466725876.db2.gz AVEMREDLQMKOJH-UHFFFAOYSA-N 1 2 344.362 2.006 20 30 EEEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NS(=O)(=O)[C@@H](C)C#N)c(C)c1 ZINC000416439390 466733963 /nfs/dbraw/zinc/73/39/63/466733963.db2.gz BVFAMWSXTGTEQY-GOEBONIOSA-N 1 2 332.429 2.073 20 30 EEEDLO CC(C)S(=O)(=O)CCC[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000370294286 466827500 /nfs/dbraw/zinc/82/75/00/466827500.db2.gz NKDUFJAXTIOKIG-UHFFFAOYSA-N 1 2 335.473 2.152 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425553638 467109260 /nfs/dbraw/zinc/10/92/60/467109260.db2.gz UAOFMKDAFCDTPM-FDQGKXFDSA-N 1 2 349.862 2.456 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425553638 467109264 /nfs/dbraw/zinc/10/92/64/467109264.db2.gz UAOFMKDAFCDTPM-FDQGKXFDSA-N 1 2 349.862 2.456 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413262722 467199921 /nfs/dbraw/zinc/19/99/21/467199921.db2.gz GHDMWSOOGOSFNX-ADAWSYLGSA-N 1 2 332.448 2.077 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413262722 467199924 /nfs/dbraw/zinc/19/99/24/467199924.db2.gz GHDMWSOOGOSFNX-ADAWSYLGSA-N 1 2 332.448 2.077 20 30 EEEDLO CN(c1ccccc1)c1cc(NCCCc2[nH]nc(N)c2C#N)[nH+]cn1 ZINC000432333604 467232584 /nfs/dbraw/zinc/23/25/84/467232584.db2.gz CIXIJFBHFBWVBU-UHFFFAOYSA-N 1 2 348.414 2.466 20 30 EEEDLO CO[C@@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C12CCC2 ZINC000451858855 467274966 /nfs/dbraw/zinc/27/49/66/467274966.db2.gz VTUGQMWAYUZDAW-IAGOWNOFSA-N 1 2 348.468 2.221 20 30 EEEDLO CO[C@@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C12CCC2 ZINC000451858855 467274969 /nfs/dbraw/zinc/27/49/69/467274969.db2.gz VTUGQMWAYUZDAW-IAGOWNOFSA-N 1 2 348.468 2.221 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000448774892 467601180 /nfs/dbraw/zinc/60/11/80/467601180.db2.gz OBLYTTMSBIBGTR-ZBFHGGJFSA-N 1 2 327.384 2.492 20 30 EEEDLO C=CCC1(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCCC1 ZINC000448942061 467606715 /nfs/dbraw/zinc/60/67/15/467606715.db2.gz HSERJDSPMHDACE-UHFFFAOYSA-N 1 2 346.475 2.680 20 30 EEEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000492617547 467690529 /nfs/dbraw/zinc/69/05/29/467690529.db2.gz XKAREQZQUDQTCO-WAYWQWQTSA-N 1 2 333.355 2.007 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ncc(C#N)cn3)C[C@H]2C1 ZINC000496756223 467711729 /nfs/dbraw/zinc/71/17/29/467711729.db2.gz IOXGLAMDXVLKBW-GJZGRUSLSA-N 1 2 343.431 2.037 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3ncc(C#N)cn3)C[C@H]2C1 ZINC000496756223 467711734 /nfs/dbraw/zinc/71/17/34/467711734.db2.gz IOXGLAMDXVLKBW-GJZGRUSLSA-N 1 2 343.431 2.037 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000458384557 467820886 /nfs/dbraw/zinc/82/08/86/467820886.db2.gz ACDVIIUONDOTSD-SWLSCSKDSA-N 1 2 341.402 2.194 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2ncc(C#N)cn2)C1 ZINC000497205104 467883517 /nfs/dbraw/zinc/88/35/17/467883517.db2.gz TWLQERBJOCQPPQ-CYBMUJFWSA-N 1 2 331.420 2.085 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2ncc(C#N)cn2)C1 ZINC000497205104 467883519 /nfs/dbraw/zinc/88/35/19/467883519.db2.gz TWLQERBJOCQPPQ-CYBMUJFWSA-N 1 2 331.420 2.085 20 30 EEEDLO C=CC[N@H+](C[C@H]1COCCO1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000450807416 467912033 /nfs/dbraw/zinc/91/20/33/467912033.db2.gz GFDYXACAHMFHOU-ROUUACIJSA-N 1 2 333.428 2.064 20 30 EEEDLO C=CC[N@@H+](C[C@H]1COCCO1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000450807416 467912037 /nfs/dbraw/zinc/91/20/37/467912037.db2.gz GFDYXACAHMFHOU-ROUUACIJSA-N 1 2 333.428 2.064 20 30 EEEDLO CC#CCCNC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000483429643 468008400 /nfs/dbraw/zinc/00/84/00/468008400.db2.gz GOGHRQNERYQRCB-MRXNPFEDSA-N 1 2 329.444 2.497 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000516654667 468040576 /nfs/dbraw/zinc/04/05/76/468040576.db2.gz QWGVUBWVZVDRGE-GDLVEWKHSA-N 1 2 325.334 2.167 20 30 EEEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cnn1-c1ccc(F)cc1F ZINC000566624027 468155916 /nfs/dbraw/zinc/15/59/16/468155916.db2.gz XHLURUZXJBJHPJ-KRWDZBQOSA-N 1 2 347.369 2.033 20 30 EEEDLO N#CCC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1ccccc1 ZINC000533048839 468165476 /nfs/dbraw/zinc/16/54/76/468165476.db2.gz QTEVVBZPFQXTDJ-HNNXBMFYSA-N 1 2 332.367 2.437 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nc(-c4ccccn4)no3)C2)nc1 ZINC000590005383 468202962 /nfs/dbraw/zinc/20/29/62/468202962.db2.gz GKVNJOVOGKTYSU-AWEZNQCLSA-N 1 2 348.366 2.052 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nc(-c4ccccn4)no3)C2)nc1 ZINC000590005383 468202965 /nfs/dbraw/zinc/20/29/65/468202965.db2.gz GKVNJOVOGKTYSU-AWEZNQCLSA-N 1 2 348.366 2.052 20 30 EEEDLO C#C[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C(C)C ZINC000490628654 468227029 /nfs/dbraw/zinc/22/70/29/468227029.db2.gz IMQZJJQQKPFBEP-QGZVFWFLSA-N 1 2 338.411 2.300 20 30 EEEDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000582847921 468605405 /nfs/dbraw/zinc/60/54/05/468605405.db2.gz CKALSPPWUNUYLJ-RHSMWYFYSA-N 1 2 332.404 2.124 20 30 EEEDLO N#CC[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)C1 ZINC000594659564 468645688 /nfs/dbraw/zinc/64/56/88/468645688.db2.gz FMBBDGPMALDKCJ-ABAIWWIYSA-N 1 2 333.338 2.222 20 30 EEEDLO N#CC[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)C1 ZINC000594659564 468645692 /nfs/dbraw/zinc/64/56/92/468645692.db2.gz FMBBDGPMALDKCJ-ABAIWWIYSA-N 1 2 333.338 2.222 20 30 EEEDLO N#Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)ccc1Cl ZINC000597706683 468646127 /nfs/dbraw/zinc/64/61/27/468646127.db2.gz IENHUOZUCCUNTF-HNNXBMFYSA-N 1 2 333.819 2.148 20 30 EEEDLO C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000558174804 468668920 /nfs/dbraw/zinc/66/89/20/468668920.db2.gz GFQLEWZYSBVWMF-LJQANCHMSA-N 1 2 346.394 2.307 20 30 EEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000601028068 468723528 /nfs/dbraw/zinc/72/35/28/468723528.db2.gz BPJVMVPBQBGDNH-SFHVURJKSA-N 1 2 337.427 2.383 20 30 EEEDLO CC(C)n1ccnc1C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000594936333 468725696 /nfs/dbraw/zinc/72/56/96/468725696.db2.gz CEBMYYXGNRTOPV-QGZVFWFLSA-N 1 2 337.427 2.226 20 30 EEEDLO Cc1cc(C#N)cnc1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000560324827 468782013 /nfs/dbraw/zinc/78/20/13/468782013.db2.gz BKCSELRKUSQHAQ-UHFFFAOYSA-N 1 2 337.383 2.054 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCn2c[nH+]cc2C1 ZINC000595489287 468874005 /nfs/dbraw/zinc/87/40/05/468874005.db2.gz FTNJJLPRBTZQCT-LLVKDONJSA-N 1 2 341.440 2.148 20 30 EEEDLO C=CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)COC ZINC000595638965 468933891 /nfs/dbraw/zinc/93/38/91/468933891.db2.gz PZRMCQMXRAFRBF-CYBMUJFWSA-N 1 2 333.388 2.007 20 30 EEEDLO C=CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)COC ZINC000595638965 468933893 /nfs/dbraw/zinc/93/38/93/468933893.db2.gz PZRMCQMXRAFRBF-CYBMUJFWSA-N 1 2 333.388 2.007 20 30 EEEDLO N#C[C@H]1CC[C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000572477471 468938609 /nfs/dbraw/zinc/93/86/09/468938609.db2.gz ZRORHGJSPXUZQV-ZNMIVQPWSA-N 1 2 348.472 2.113 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1C#N ZINC000595728775 468972811 /nfs/dbraw/zinc/97/28/11/468972811.db2.gz OUHGRWLGJMVIFM-QAPCUYQASA-N 1 2 349.438 2.153 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1C#N ZINC000595728775 468972816 /nfs/dbraw/zinc/97/28/16/468972816.db2.gz OUHGRWLGJMVIFM-QAPCUYQASA-N 1 2 349.438 2.153 20 30 EEEDLO N#Cc1ccc(CNC(=O)C[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000610844709 469087126 /nfs/dbraw/zinc/08/71/26/469087126.db2.gz NZRUWCNCRQBREI-UHFFFAOYSA-N 1 2 345.406 2.150 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000610855268 469092532 /nfs/dbraw/zinc/09/25/32/469092532.db2.gz SEWSKYVLXGRODS-UHFFFAOYSA-N 1 2 339.380 2.248 20 30 EEEDLO N#Cc1cc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c[nH]1 ZINC000588844714 469170251 /nfs/dbraw/zinc/17/02/51/469170251.db2.gz ZJDVAUIXSXVRRN-UHFFFAOYSA-N 1 2 329.429 2.121 20 30 EEEDLO CCc1nc(C#N)cc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000596170469 469185092 /nfs/dbraw/zinc/18/50/92/469185092.db2.gz ZXCHKGSNBDLEIC-UHFFFAOYSA-N 1 2 325.391 2.372 20 30 EEEDLO Cn1ncc2c1nc(C[N@H+]1CC=C(c3ccc(C#N)cc3)CC1)[nH]c2=O ZINC000611245205 469207697 /nfs/dbraw/zinc/20/76/97/469207697.db2.gz LEPIVSCYUXQMSO-UHFFFAOYSA-N 1 2 346.394 2.230 20 30 EEEDLO Cn1ncc2c1nc(C[N@@H+]1CC=C(c3ccc(C#N)cc3)CC1)[nH]c2=O ZINC000611245205 469207704 /nfs/dbraw/zinc/20/77/04/469207704.db2.gz LEPIVSCYUXQMSO-UHFFFAOYSA-N 1 2 346.394 2.230 20 30 EEEDLO CC1(C#N)CC[NH+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000602604542 469380737 /nfs/dbraw/zinc/38/07/37/469380737.db2.gz GEMWLQCTUHNASG-UHFFFAOYSA-N 1 2 327.837 2.113 20 30 EEEDLO CC(C)CNC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647577 469657694 /nfs/dbraw/zinc/65/76/94/469657694.db2.gz XJSZSEMSISEPSN-YJBOKZPZSA-N 1 2 346.450 2.169 20 30 EEEDLO C=CCCOCC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000620173437 469780533 /nfs/dbraw/zinc/78/05/33/469780533.db2.gz ALZUHNRQNCYIGS-GOSISDBHSA-N 1 2 332.444 2.077 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N(CC)Cc2ccccc2)nn1 ZINC000640824739 471048462 /nfs/dbraw/zinc/04/84/62/471048462.db2.gz AANWFHYATFUNQW-MRXNPFEDSA-N 1 2 339.443 2.001 20 30 EEEDLO C=CCCn1cc(C[N@@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)nn1 ZINC000653573002 471671088 /nfs/dbraw/zinc/67/10/88/471671088.db2.gz NABHOSMKSDTOIU-UHFFFAOYSA-N 1 2 339.443 2.378 20 30 EEEDLO C=CCCn1cc(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)nn1 ZINC000653573002 471671092 /nfs/dbraw/zinc/67/10/92/471671092.db2.gz NABHOSMKSDTOIU-UHFFFAOYSA-N 1 2 339.443 2.378 20 30 EEEDLO C=CCCn1cc(C[N@H+]2CCN(C(C)=O)C3(CCCCC3)C2)nn1 ZINC000653594181 471678126 /nfs/dbraw/zinc/67/81/26/471678126.db2.gz BWCUHVIULREHPF-UHFFFAOYSA-N 1 2 331.464 2.221 20 30 EEEDLO C=CCCn1cc(C[N@@H+]2CCN(C(C)=O)C3(CCCCC3)C2)nn1 ZINC000653594181 471678131 /nfs/dbraw/zinc/67/81/31/471678131.db2.gz BWCUHVIULREHPF-UHFFFAOYSA-N 1 2 331.464 2.221 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(CC)o2)[C@@H]1CC ZINC001087729633 782142842 /nfs/dbraw/zinc/14/28/42/782142842.db2.gz NMLGZRKCDRXFQW-TWMKSMIVSA-N 1 2 347.459 2.297 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(CC)o2)[C@@H]1CC ZINC001087729633 782142848 /nfs/dbraw/zinc/14/28/48/782142848.db2.gz NMLGZRKCDRXFQW-TWMKSMIVSA-N 1 2 347.459 2.297 20 30 EEEDLO C[C@@H](O[NH+]=C(N)Cc1ccccc1Cl)C(=O)NCC(F)(F)F ZINC000078695937 533869929 /nfs/dbraw/zinc/86/99/29/533869929.db2.gz AJZWBKHAGJEEMU-MRVPVSSYSA-N 1 2 337.729 2.238 20 30 EEEDLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000041106022 526031720 /nfs/dbraw/zinc/03/17/20/526031720.db2.gz QHSMBVTXTDNHMB-MRXNPFEDSA-N 1 2 340.471 2.123 20 30 EEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000041106022 526031733 /nfs/dbraw/zinc/03/17/33/526031733.db2.gz QHSMBVTXTDNHMB-MRXNPFEDSA-N 1 2 340.471 2.123 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000153151482 526541356 /nfs/dbraw/zinc/54/13/56/526541356.db2.gz SKSVDEFRDPLUOG-KRWDZBQOSA-N 1 2 330.476 2.012 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000153151482 526541361 /nfs/dbraw/zinc/54/13/61/526541361.db2.gz SKSVDEFRDPLUOG-KRWDZBQOSA-N 1 2 330.476 2.012 20 30 EEEDLO C=CCOc1ccc(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)cc1OC ZINC000093384728 526861432 /nfs/dbraw/zinc/86/14/32/526861432.db2.gz FJSADBZVMGDKGO-ZDUSSCGKSA-N 1 2 327.446 2.125 20 30 EEEDLO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)cc1OC ZINC000093384728 526861439 /nfs/dbraw/zinc/86/14/39/526861439.db2.gz FJSADBZVMGDKGO-ZDUSSCGKSA-N 1 2 327.446 2.125 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000111125399 527399533 /nfs/dbraw/zinc/39/95/33/527399533.db2.gz SWKPWDXQXGMCJR-MJGOQNOKSA-N 1 2 346.471 2.027 20 30 EEEDLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)c1c[nH]c(C#N)c1 ZINC000181259572 528138657 /nfs/dbraw/zinc/13/86/57/528138657.db2.gz SCCPMYGSOIXXSL-UHFFFAOYSA-N 1 2 332.448 2.241 20 30 EEEDLO CCOCCOCC[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000190287593 528800309 /nfs/dbraw/zinc/80/03/09/528800309.db2.gz UAAOZBHZHZILLS-UHFFFAOYSA-N 1 2 339.461 2.160 20 30 EEEDLO CCOCCOCC[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000190287593 528800312 /nfs/dbraw/zinc/80/03/12/528800312.db2.gz UAAOZBHZHZILLS-UHFFFAOYSA-N 1 2 339.461 2.160 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)nc1 ZINC000728803095 576530975 /nfs/dbraw/zinc/53/09/75/576530975.db2.gz OUNNWTCAGSFPQR-QGZVFWFLSA-N 1 2 334.354 2.455 20 30 EEEDLO C#CCN1CCC[C@H]1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000730285067 577016476 /nfs/dbraw/zinc/01/64/76/577016476.db2.gz HIOYGBRORPKDDW-LPHOPBHVSA-N 1 2 341.455 2.116 20 30 EEEDLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(C#N)cn1 ZINC000730773566 577055134 /nfs/dbraw/zinc/05/51/34/577055134.db2.gz GUWDAVDLRQWCAV-UHFFFAOYSA-N 1 2 344.459 2.308 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000732204392 577156615 /nfs/dbraw/zinc/15/66/15/577156615.db2.gz VCIQMJHOBJRUHC-QGZVFWFLSA-N 1 2 341.411 2.164 20 30 EEEDLO N#Cc1ccc2[nH+]cc(C=CC(=O)c3ccc(-c4nn[nH]n4)cc3)n2c1 ZINC000737723623 577181962 /nfs/dbraw/zinc/18/19/62/577181962.db2.gz ZRMFWQDDTIKMBS-VOTSOKGWSA-N 1 2 341.334 2.282 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2ccc(OCc3ccncc3)cc2)CC1 ZINC000733162403 577205971 /nfs/dbraw/zinc/20/59/71/577205971.db2.gz OLXMJJMFJMYBRL-UHFFFAOYSA-N 1 2 335.407 2.052 20 30 EEEDLO C#C[C@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@@H]1CCCO1 ZINC000775794263 577445905 /nfs/dbraw/zinc/44/59/05/577445905.db2.gz ZBGWIRQGZJKRNC-HOTGVXAUSA-N 1 2 341.436 2.179 20 30 EEEDLO C#C[C@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCO1 ZINC000775804778 577446415 /nfs/dbraw/zinc/44/64/15/577446415.db2.gz CGUDMXPOFSAMPP-BYCMXARLSA-N 1 2 342.355 2.476 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(F)cc2OC(C)(C)C)CC1 ZINC000765547908 577503034 /nfs/dbraw/zinc/50/30/34/577503034.db2.gz FWOQWUJDBFDOMZ-UHFFFAOYSA-N 1 2 347.434 2.192 20 30 EEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000769952778 577587851 /nfs/dbraw/zinc/58/78/51/577587851.db2.gz FTHVNIRIYVLXOK-OAGGEKHMSA-N 1 2 329.444 2.192 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000769952778 577587852 /nfs/dbraw/zinc/58/78/52/577587852.db2.gz FTHVNIRIYVLXOK-OAGGEKHMSA-N 1 2 329.444 2.192 20 30 EEEDLO COC(=O)c1ccc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000758141710 577617032 /nfs/dbraw/zinc/61/70/32/577617032.db2.gz VJSNKVCJJWLITK-UHFFFAOYSA-N 1 2 340.383 2.151 20 30 EEEDLO Cc1ccn2cc(CNC(=O)Cc3cccc(OCC#N)c3)[nH+]c2c1 ZINC000760391992 577662107 /nfs/dbraw/zinc/66/21/07/577662107.db2.gz ZFWGRHHNLJIRMI-UHFFFAOYSA-N 1 2 334.379 2.404 20 30 EEEDLO Clc1nc2ccccn2c1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761855880 577690216 /nfs/dbraw/zinc/69/02/16/577690216.db2.gz UECPYCHMWNIKCL-UHFFFAOYSA-N 1 2 338.762 2.409 20 30 EEEDLO Clc1nc2ccccn2c1C=NNc1ccc(-n2cc[nH+]c2)nn1 ZINC000761855880 577690217 /nfs/dbraw/zinc/69/02/17/577690217.db2.gz UECPYCHMWNIKCL-UHFFFAOYSA-N 1 2 338.762 2.409 20 30 EEEDLO N#CCn1c(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)nc2ccccc2c1=O ZINC000746454623 577927964 /nfs/dbraw/zinc/92/79/64/577927964.db2.gz VWVAZWWUTKYNRL-AWEZNQCLSA-N 1 2 348.410 2.023 20 30 EEEDLO N#CCn1c(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)nc2ccccc2c1=O ZINC000746454623 577927965 /nfs/dbraw/zinc/92/79/65/577927965.db2.gz VWVAZWWUTKYNRL-AWEZNQCLSA-N 1 2 348.410 2.023 20 30 EEEDLO CN(C)c1ncc(C=[NH+]Nc2ccc(-c3nn[nH]n3)c(Cl)c2)s1 ZINC000825884333 609471235 /nfs/dbraw/zinc/47/12/35/609471235.db2.gz ZOWKGJJECZVNSN-UHFFFAOYSA-N 1 2 348.823 2.489 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3csnn3)C2)cc1 ZINC000969119792 674596357 /nfs/dbraw/zinc/59/63/57/674596357.db2.gz SIAYLWDEUMBIGK-CQSZACIVSA-N 1 2 344.440 2.107 20 30 EEEDLO C[C@@H](NC(=O)[C@@H]1CCCOC1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969389177 674933124 /nfs/dbraw/zinc/93/31/24/674933124.db2.gz JCBWWAYSGZBPAV-UKRRQHHQSA-N 1 2 345.418 2.060 20 30 EEEDLO C[C@@H](NC(=O)c1cscn1)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000969397038 674945051 /nfs/dbraw/zinc/94/50/51/674945051.db2.gz ZVZWVSXMIUWINE-CYBMUJFWSA-N 1 2 343.427 2.384 20 30 EEEDLO Cc1n[nH]c(C(=O)N[C@H](C)C2C[NH+](Cc3cccc(C#N)c3)C2)c1C ZINC000969404623 674954079 /nfs/dbraw/zinc/95/40/79/674954079.db2.gz OILOMFGPJDVGIA-CQSZACIVSA-N 1 2 337.427 2.149 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](Cc3nc(C)cs3)C2)nc1 ZINC000970764488 676136110 /nfs/dbraw/zinc/13/61/10/676136110.db2.gz UQUFZRRSYJWXJU-CYBMUJFWSA-N 1 2 340.452 2.078 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2=CCOCC2)C[C@@H]1C ZINC000947234734 675331456 /nfs/dbraw/zinc/33/14/56/675331456.db2.gz AOXSCLFBHCHXEI-JSGCOSHPSA-N 1 2 343.265 2.211 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2=CCOCC2)C[C@@H]1C ZINC000947234734 675331459 /nfs/dbraw/zinc/33/14/59/675331459.db2.gz AOXSCLFBHCHXEI-JSGCOSHPSA-N 1 2 343.265 2.211 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc3ncn(C)c32)C1 ZINC000969999581 675371131 /nfs/dbraw/zinc/37/11/31/675371131.db2.gz ZZMHEIHCYVQHEO-LBPRGKRZSA-N 1 2 332.835 2.376 20 30 EEEDLO CCc1n[nH]cc1C(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970030284 675399225 /nfs/dbraw/zinc/39/92/25/675399225.db2.gz CLCQAFUYZNXTLQ-CYBMUJFWSA-N 1 2 337.427 2.094 20 30 EEEDLO C[C@H](NC(=O)c1cc(F)c[nH]1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970175183 675664456 /nfs/dbraw/zinc/66/44/56/675664456.db2.gz LIIBELOVSZKLCX-NSHDSACASA-N 1 2 344.365 2.415 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](Cc3ccn(CC)n3)C2)cc1 ZINC000970256691 675750384 /nfs/dbraw/zinc/75/03/84/675750384.db2.gz OQJWBBMRFNORSY-OAHLLOKOSA-N 1 2 336.439 2.135 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(N(C)C(C)=O)cc2)C1 ZINC000970955775 676269589 /nfs/dbraw/zinc/26/95/89/676269589.db2.gz YZRSVISAUJPPOF-CYBMUJFWSA-N 1 2 349.862 2.472 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2csc(COC)n2)C1 ZINC000970965774 676277066 /nfs/dbraw/zinc/27/70/66/676277066.db2.gz JHUIQRMRNRSEQG-JTQLQIEISA-N 1 2 329.853 2.092 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2n[nH]c(C)c2C)C1 ZINC000971233776 676451850 /nfs/dbraw/zinc/45/18/50/676451850.db2.gz NPRGJCMWYOYKRH-LBPRGKRZSA-N 1 2 341.253 2.081 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2n[nH]c(C)c2C)C1 ZINC000971233776 676451851 /nfs/dbraw/zinc/45/18/51/676451851.db2.gz NPRGJCMWYOYKRH-LBPRGKRZSA-N 1 2 341.253 2.081 20 30 EEEDLO CCc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC000971363952 676503322 /nfs/dbraw/zinc/50/33/22/676503322.db2.gz MDKSBRCGIMOERN-CQSZACIVSA-N 1 2 343.456 2.252 20 30 EEEDLO CCc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC000971363952 676503324 /nfs/dbraw/zinc/50/33/24/676503324.db2.gz MDKSBRCGIMOERN-CQSZACIVSA-N 1 2 343.456 2.252 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000891608077 676714445 /nfs/dbraw/zinc/71/44/45/676714445.db2.gz WYHVRLUOSZPROA-MRXNPFEDSA-N 1 2 341.455 2.271 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000891608077 676714447 /nfs/dbraw/zinc/71/44/47/676714447.db2.gz WYHVRLUOSZPROA-MRXNPFEDSA-N 1 2 341.455 2.271 20 30 EEEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)C(F)F ZINC000972712151 679709675 /nfs/dbraw/zinc/70/96/75/679709675.db2.gz LAUAYUARBMABQR-ZDUSSCGKSA-N 1 2 325.334 2.289 20 30 EEEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)C(F)F ZINC000972712151 679709678 /nfs/dbraw/zinc/70/96/78/679709678.db2.gz LAUAYUARBMABQR-ZDUSSCGKSA-N 1 2 325.334 2.289 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000971966260 677901185 /nfs/dbraw/zinc/90/11/85/677901185.db2.gz PNCARWJCSGZVPZ-HUUCEWRRSA-N 1 2 344.459 2.004 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)c3c(C)n[nH]c3C)C2)C1 ZINC000972440694 678743949 /nfs/dbraw/zinc/74/39/49/678743949.db2.gz JNQVCULZNCEYBI-LIRRHRJNSA-N 1 2 346.475 2.009 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)c3c(C)n[nH]c3C)C2)C1 ZINC000972440694 678743954 /nfs/dbraw/zinc/74/39/54/678743954.db2.gz JNQVCULZNCEYBI-LIRRHRJNSA-N 1 2 346.475 2.009 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2cnoc2CC)C1 ZINC000972463873 678797847 /nfs/dbraw/zinc/79/78/47/678797847.db2.gz JFNQNTAYMFUBPU-NSHDSACASA-N 1 2 342.237 2.292 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2cnoc2CC)C1 ZINC000972463873 678797850 /nfs/dbraw/zinc/79/78/50/678797850.db2.gz JFNQNTAYMFUBPU-NSHDSACASA-N 1 2 342.237 2.292 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N[C@H](C)c2cccs2)cc1 ZINC000125452421 679073352 /nfs/dbraw/zinc/07/33/52/679073352.db2.gz ZJYAWSOSYUTQAH-GFCCVEGCSA-N 1 2 347.440 2.465 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2coc(C)n2)C1 ZINC000972514891 679132880 /nfs/dbraw/zinc/13/28/80/679132880.db2.gz VCPVPYANTXLAAK-BZSNNMDCSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2coc(C)n2)C1 ZINC000972514891 679132881 /nfs/dbraw/zinc/13/28/81/679132881.db2.gz VCPVPYANTXLAAK-BZSNNMDCSA-N 1 2 347.459 2.387 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](c3ccncc3)C(C)C)C2)C1 ZINC000972518866 679143291 /nfs/dbraw/zinc/14/32/91/679143291.db2.gz PMXKIBMLVQRVJM-ICSRJNTNSA-N 1 2 343.471 2.311 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](c3ccncc3)C(C)C)C2)C1 ZINC000972518866 679143295 /nfs/dbraw/zinc/14/32/95/679143295.db2.gz PMXKIBMLVQRVJM-ICSRJNTNSA-N 1 2 343.471 2.311 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cccc(Cl)c3)C2)C1 ZINC000972535576 679204375 /nfs/dbraw/zinc/20/43/75/679204375.db2.gz XMCHOUVIHYJTPR-GOSISDBHSA-N 1 2 334.847 2.372 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cccc(Cl)c3)C2)C1 ZINC000972535576 679204376 /nfs/dbraw/zinc/20/43/76/679204376.db2.gz XMCHOUVIHYJTPR-GOSISDBHSA-N 1 2 334.847 2.372 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4ccccc4C3)C2)C1 ZINC000972568922 679318036 /nfs/dbraw/zinc/31/80/36/679318036.db2.gz DWDFDDBDYREOKV-CTNGQTDRSA-N 1 2 340.467 2.281 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4ccccc4C3)C2)C1 ZINC000972568922 679318037 /nfs/dbraw/zinc/31/80/37/679318037.db2.gz DWDFDDBDYREOKV-CTNGQTDRSA-N 1 2 340.467 2.281 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ncsc3C(C)C)C2)C1 ZINC000972633712 679469489 /nfs/dbraw/zinc/46/94/89/679469489.db2.gz HRMHOQGYFADZOZ-KRWDZBQOSA-N 1 2 335.473 2.369 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ncsc3C(C)C)C2)C1 ZINC000972633712 679469490 /nfs/dbraw/zinc/46/94/90/679469490.db2.gz HRMHOQGYFADZOZ-KRWDZBQOSA-N 1 2 335.473 2.369 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cc(C)sc3C)C2)C1 ZINC000972691988 679613002 /nfs/dbraw/zinc/61/30/02/679613002.db2.gz KWWIXCRXOAGKJI-LJQANCHMSA-N 1 2 346.496 2.234 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cc(C)sc3C)C2)C1 ZINC000972691988 679613004 /nfs/dbraw/zinc/61/30/04/679613004.db2.gz KWWIXCRXOAGKJI-LJQANCHMSA-N 1 2 346.496 2.234 20 30 EEEDLO CCc1cnc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C[C@@H]2C)o1 ZINC000947205769 679862052 /nfs/dbraw/zinc/86/20/52/679862052.db2.gz WMKQIJRSKFTTOK-JSGCOSHPSA-N 1 2 341.415 2.220 20 30 EEEDLO CCc1cnc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C[C@@H]2C)o1 ZINC000947205769 679862054 /nfs/dbraw/zinc/86/20/54/679862054.db2.gz WMKQIJRSKFTTOK-JSGCOSHPSA-N 1 2 341.415 2.220 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)oc1C ZINC001024397947 679889343 /nfs/dbraw/zinc/88/93/43/679889343.db2.gz BYQUOWXTRZXQBB-HNNXBMFYSA-N 1 2 341.415 2.276 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)oc1C ZINC001024397947 679889344 /nfs/dbraw/zinc/88/93/44/679889344.db2.gz BYQUOWXTRZXQBB-HNNXBMFYSA-N 1 2 341.415 2.276 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2nccn2C1 ZINC001024515320 680017608 /nfs/dbraw/zinc/01/76/08/680017608.db2.gz QUEDNCPHJWNPSA-LSDHHAIUSA-N 1 2 336.867 2.169 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2nccn2C1 ZINC001024515320 680017610 /nfs/dbraw/zinc/01/76/10/680017610.db2.gz QUEDNCPHJWNPSA-LSDHHAIUSA-N 1 2 336.867 2.169 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc2ncnn21 ZINC001024538893 680065389 /nfs/dbraw/zinc/06/53/89/680065389.db2.gz TTWPXFMPXLMFSN-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc2ncnn21 ZINC001024538893 680065392 /nfs/dbraw/zinc/06/53/92/680065392.db2.gz TTWPXFMPXLMFSN-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1coc(C)n1 ZINC001024662071 681325776 /nfs/dbraw/zinc/32/57/76/681325776.db2.gz RUIFLBIATPOBBM-ZACQAIPSSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1coc(C)n1 ZINC001024662071 681325782 /nfs/dbraw/zinc/32/57/82/681325782.db2.gz RUIFLBIATPOBBM-ZACQAIPSSA-N 1 2 333.432 2.045 20 30 EEEDLO CC(C)CCc1noc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H](C)C#N)n1 ZINC001024899521 681556438 /nfs/dbraw/zinc/55/64/38/681556438.db2.gz WBAJQIYENSCNSQ-LSDHHAIUSA-N 1 2 347.463 2.289 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]([C@@H](C)c3csnn3)C2)cc1 ZINC001028731153 682027573 /nfs/dbraw/zinc/02/75/73/682027573.db2.gz ANKWWEJMXNJTHR-ZFWWWQNUSA-N 1 2 340.452 2.332 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@@H](C)c3csnn3)C2)cc1 ZINC001028731153 682027579 /nfs/dbraw/zinc/02/75/79/682027579.db2.gz ANKWWEJMXNJTHR-ZFWWWQNUSA-N 1 2 340.452 2.332 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccnc3[nH]c(C)nc32)C(C)(C)C1 ZINC000974858038 685645000 /nfs/dbraw/zinc/64/50/00/685645000.db2.gz XPTXCDCNAOKVTJ-ZDUSSCGKSA-N 1 2 347.850 2.459 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccnc3[nH]c(C)nc32)C(C)(C)C1 ZINC000974858038 685645002 /nfs/dbraw/zinc/64/50/02/685645002.db2.gz XPTXCDCNAOKVTJ-ZDUSSCGKSA-N 1 2 347.850 2.459 20 30 EEEDLO Cn1cc[nH+]c1C[C@@H](NS(=O)(=O)CC(C)(C)C#N)c1ccccc1 ZINC000914204586 683360158 /nfs/dbraw/zinc/36/01/58/683360158.db2.gz SGNKULRQYBIFNM-OAHLLOKOSA-N 1 2 346.456 2.173 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)c1cc[nH]c1C ZINC001038145625 683808951 /nfs/dbraw/zinc/80/89/51/683808951.db2.gz SMEFSKWAFRSNAB-MRXNPFEDSA-N 1 2 338.411 2.208 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)c1cc[nH]c1C ZINC001038145625 683808958 /nfs/dbraw/zinc/80/89/58/683808958.db2.gz SMEFSKWAFRSNAB-MRXNPFEDSA-N 1 2 338.411 2.208 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]1Cc1scnc1C ZINC001038354123 683885588 /nfs/dbraw/zinc/88/55/88/683885588.db2.gz QNCMOKRLVYGZHC-CQSZACIVSA-N 1 2 330.457 2.443 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]1Cc1scnc1C ZINC001038354123 683885593 /nfs/dbraw/zinc/88/55/93/683885593.db2.gz QNCMOKRLVYGZHC-CQSZACIVSA-N 1 2 330.457 2.443 20 30 EEEDLO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029302338 683921815 /nfs/dbraw/zinc/92/18/15/683921815.db2.gz CYNGAQXGZZRJGW-CALCHBBNSA-N 1 2 339.395 2.183 20 30 EEEDLO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029302338 683921818 /nfs/dbraw/zinc/92/18/18/683921818.db2.gz CYNGAQXGZZRJGW-CALCHBBNSA-N 1 2 339.395 2.183 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C2CC2)CC1 ZINC001029453085 684696365 /nfs/dbraw/zinc/69/63/65/684696365.db2.gz ISTJEBGPUDCAQC-HDICACEKSA-N 1 2 345.487 2.029 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C2CC2)CC1 ZINC001029453085 684696367 /nfs/dbraw/zinc/69/63/67/684696367.db2.gz ISTJEBGPUDCAQC-HDICACEKSA-N 1 2 345.487 2.029 20 30 EEEDLO C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029527103 685686318 /nfs/dbraw/zinc/68/63/18/685686318.db2.gz DRELNNUORJSHLX-SZOQZIPDSA-N 1 2 345.468 2.220 20 30 EEEDLO C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029527103 685686322 /nfs/dbraw/zinc/68/63/22/685686322.db2.gz DRELNNUORJSHLX-SZOQZIPDSA-N 1 2 345.468 2.220 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001060099102 693971694 /nfs/dbraw/zinc/97/16/94/693971694.db2.gz SADMKLDKLLGJFB-ZACQAIPSSA-N 1 2 344.459 2.417 20 30 EEEDLO C=CCc1ccc(OCC(=O)NCc2[nH]c(C)c(C)[nH+]2)c(OC)c1 ZINC000896930119 685989461 /nfs/dbraw/zinc/98/94/61/685989461.db2.gz SHCVDLWNRLWIRD-UHFFFAOYSA-N 1 2 329.400 2.459 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059562929 687112869 /nfs/dbraw/zinc/11/28/69/687112869.db2.gz OCELCCVLERHKLE-HOTGVXAUSA-N 1 2 346.475 2.299 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nnc(C(C)C)[nH]2)C1 ZINC001029801275 687127405 /nfs/dbraw/zinc/12/74/05/687127405.db2.gz KFLHYXQLXLICTM-AWEZNQCLSA-N 1 2 333.480 2.421 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2nnc(C(C)C)[nH]2)C1 ZINC001029801275 687127406 /nfs/dbraw/zinc/12/74/06/687127406.db2.gz KFLHYXQLXLICTM-AWEZNQCLSA-N 1 2 333.480 2.421 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCCO2)C1 ZINC001027368934 687734669 /nfs/dbraw/zinc/73/46/69/687734669.db2.gz UFCAIGFJTMKHRQ-UONOGXRCSA-N 1 2 345.281 2.387 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCCO2)C1 ZINC001027368934 687734672 /nfs/dbraw/zinc/73/46/72/687734672.db2.gz UFCAIGFJTMKHRQ-UONOGXRCSA-N 1 2 345.281 2.387 20 30 EEEDLO Cc1ncc(C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3C#N)[C@H]2C)[nH]1 ZINC000986054136 688137291 /nfs/dbraw/zinc/13/72/91/688137291.db2.gz ICUNFNSVOMLMJD-BZNIZROVSA-N 1 2 341.390 2.122 20 30 EEEDLO C[C@@H](c1csnn1)[N@H+](C)CC1CCN(C(=O)C#CC2CC2)CC1 ZINC001029965274 688719828 /nfs/dbraw/zinc/71/98/28/688719828.db2.gz SGQFCCBISRFXHT-ZDUSSCGKSA-N 1 2 332.473 2.183 20 30 EEEDLO C[C@@H](c1csnn1)[N@@H+](C)CC1CCN(C(=O)C#CC2CC2)CC1 ZINC001029965274 688719829 /nfs/dbraw/zinc/71/98/29/688719829.db2.gz SGQFCCBISRFXHT-ZDUSSCGKSA-N 1 2 332.473 2.183 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[N@H+](Cc2ccns2)CC1 ZINC000989564907 692040317 /nfs/dbraw/zinc/04/03/17/692040317.db2.gz TUPVRBSQQYLBSE-UHFFFAOYSA-N 1 2 339.464 2.401 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[N@@H+](Cc2ccns2)CC1 ZINC000989564907 692040320 /nfs/dbraw/zinc/04/03/20/692040320.db2.gz TUPVRBSQQYLBSE-UHFFFAOYSA-N 1 2 339.464 2.401 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C)CC1 ZINC000989732638 692227809 /nfs/dbraw/zinc/22/78/09/692227809.db2.gz DXLRFKDQABJSNW-PBHICJAKSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C)CC1 ZINC000989732638 692227813 /nfs/dbraw/zinc/22/78/13/692227813.db2.gz DXLRFKDQABJSNW-PBHICJAKSA-N 1 2 344.459 2.194 20 30 EEEDLO C=CCCn1cc(C(=O)N[C@H]2C[N@@H+](CC(=C)Cl)CC2(C)C)nn1 ZINC000977287272 692453939 /nfs/dbraw/zinc/45/39/39/692453939.db2.gz RYGNMQFDYQQALH-AWEZNQCLSA-N 1 2 337.855 2.047 20 30 EEEDLO C=CCCn1cc(C(=O)N[C@H]2C[N@H+](CC(=C)Cl)CC2(C)C)nn1 ZINC000977287272 692453942 /nfs/dbraw/zinc/45/39/42/692453942.db2.gz RYGNMQFDYQQALH-AWEZNQCLSA-N 1 2 337.855 2.047 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@]23CCC[C@H]2[N@H+](Cc2cscn2)CC3)c[nH]1 ZINC000990289656 692799785 /nfs/dbraw/zinc/79/97/85/692799785.db2.gz RWEHVTDIKDMXIN-NVXWUHKLSA-N 1 2 341.440 2.270 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](Cc2cscn2)CC3)c[nH]1 ZINC000990289656 692799789 /nfs/dbraw/zinc/79/97/89/692799789.db2.gz RWEHVTDIKDMXIN-NVXWUHKLSA-N 1 2 341.440 2.270 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2nc(C)c[nH]2)[C@H]1CC ZINC001087756114 782192869 /nfs/dbraw/zinc/19/28/69/782192869.db2.gz YKQWSVUNAFUJJS-NWDGAFQWSA-N 1 2 341.253 2.209 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2nc(C)c[nH]2)[C@H]1CC ZINC001087756114 782192883 /nfs/dbraw/zinc/19/28/83/782192883.db2.gz YKQWSVUNAFUJJS-NWDGAFQWSA-N 1 2 341.253 2.209 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)c1ncccc1F ZINC001032072647 1192160172 /nfs/dbraw/zinc/16/01/72/1192160172.db2.gz ZLCPYODMKHRVBQ-UHFFFAOYSA-N 1 2 341.361 2.073 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cnoc1C1CC1 ZINC001032096850 1192466162 /nfs/dbraw/zinc/46/61/62/1192466162.db2.gz FVMLGLAAGNIRQI-UHFFFAOYSA-N 1 2 335.407 2.265 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(C)nc2n[nH]c(C)c21 ZINC001481005992 1179468817 /nfs/dbraw/zinc/46/88/17/1179468817.db2.gz LXUVRTLVZJGEHN-UHFFFAOYSA-N 1 2 335.839 2.379 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(C)nc2n[nH]c(C)c21 ZINC001481005992 1179468819 /nfs/dbraw/zinc/46/88/19/1179468819.db2.gz LXUVRTLVZJGEHN-UHFFFAOYSA-N 1 2 335.839 2.379 20 30 EEEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)[C@@H]2Cc3ccccc32)CC1 ZINC001481471123 1181497724 /nfs/dbraw/zinc/49/77/24/1181497724.db2.gz LEKHPNAHBIGJSV-GOSISDBHSA-N 1 2 347.890 2.155 20 30 EEEDLO N#CCN[C@@H]1CCCCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001088355456 1186666692 /nfs/dbraw/zinc/66/66/92/1186666692.db2.gz YJMXJOOYEDZDFF-QGZVFWFLSA-N 1 2 337.427 2.370 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)cs1 ZINC001088530498 1187172523 /nfs/dbraw/zinc/17/25/23/1187172523.db2.gz ZNBDFTXULUGRAJ-BMIGLBTASA-N 1 2 329.429 2.044 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)cs1 ZINC001088530498 1187172527 /nfs/dbraw/zinc/17/25/27/1187172527.db2.gz ZNBDFTXULUGRAJ-BMIGLBTASA-N 1 2 329.429 2.044 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126719428 1187372662 /nfs/dbraw/zinc/37/26/62/1187372662.db2.gz JYLMPTMNOMUHOD-GJZGRUSLSA-N 1 2 346.475 2.487 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2coc(C)n2)[C@@H]1C ZINC001088575924 1187435315 /nfs/dbraw/zinc/43/53/15/1187435315.db2.gz NLEPEKJRHUBVRS-VZEFYGNVSA-N 1 2 333.432 2.043 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2coc(C)n2)[C@@H]1C ZINC001088575924 1187435317 /nfs/dbraw/zinc/43/53/17/1187435317.db2.gz NLEPEKJRHUBVRS-VZEFYGNVSA-N 1 2 333.432 2.043 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2coc(C)n2)[C@@H]1C ZINC001088623453 1188009094 /nfs/dbraw/zinc/00/90/94/1188009094.db2.gz AJKRKTHIDJGPHL-CJNGLKHVSA-N 1 2 328.416 2.363 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2coc(C)n2)[C@@H]1C ZINC001088623453 1188009097 /nfs/dbraw/zinc/00/90/97/1188009097.db2.gz AJKRKTHIDJGPHL-CJNGLKHVSA-N 1 2 328.416 2.363 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001105651074 1188367720 /nfs/dbraw/zinc/36/77/20/1188367720.db2.gz IXFFXZCSNLTMBH-HZPDHXFCSA-N 1 2 332.448 2.465 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1n[nH]c2ccc(Cl)cc12 ZINC001272823972 1193563224 /nfs/dbraw/zinc/56/32/24/1193563224.db2.gz LCYJEGAUTKYXDJ-IAGOWNOFSA-N 1 2 342.830 2.415 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1n[nH]c2ccc(Cl)cc12 ZINC001272823972 1193563227 /nfs/dbraw/zinc/56/32/27/1193563227.db2.gz LCYJEGAUTKYXDJ-IAGOWNOFSA-N 1 2 342.830 2.415 20 30 EEEDLO C#CCCCCC(=O)NCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001076211540 1188778694 /nfs/dbraw/zinc/77/86/94/1188778694.db2.gz KVECDSJAPPHWAT-JKSUJKDBSA-N 1 2 332.448 2.039 20 30 EEEDLO C=CCN1C(=O)C2(CC[NH+](CC(=O)OCC)CC2)[C@@H]1c1ccccc1 ZINC001272889125 1193592350 /nfs/dbraw/zinc/59/23/50/1193592350.db2.gz IPODXYQPDGNKCV-SFHVURJKSA-N 1 2 342.439 2.401 20 30 EEEDLO CC(C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)=C1CCCC1 ZINC001076864695 1189206581 /nfs/dbraw/zinc/20/65/81/1189206581.db2.gz UDICZPBHFQORCS-WOJBJXKFSA-N 1 2 338.451 2.090 20 30 EEEDLO CC(C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)=C1CCCC1 ZINC001076864695 1189206586 /nfs/dbraw/zinc/20/65/86/1189206586.db2.gz UDICZPBHFQORCS-WOJBJXKFSA-N 1 2 338.451 2.090 20 30 EEEDLO C=CCCOCC(=O)NCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001077062901 1189312382 /nfs/dbraw/zinc/31/23/82/1189312382.db2.gz PGEQEQMENFAVEW-AWEZNQCLSA-N 1 2 347.459 2.224 20 30 EEEDLO C#CC(C)(C)C(=O)N1CC2(CC[N@H+]2Cc2ccc(NC(C)=O)cc2)C1 ZINC001272345514 1190778302 /nfs/dbraw/zinc/77/83/02/1190778302.db2.gz DRICIYDEONMLAC-UHFFFAOYSA-N 1 2 339.439 2.091 20 30 EEEDLO C#CC(C)(C)C(=O)N1CC2(CC[N@@H+]2Cc2ccc(NC(C)=O)cc2)C1 ZINC001272345514 1190778305 /nfs/dbraw/zinc/77/83/05/1190778305.db2.gz DRICIYDEONMLAC-UHFFFAOYSA-N 1 2 339.439 2.091 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(OC)nn3)C2)CC1 ZINC001033388512 1194521196 /nfs/dbraw/zinc/52/11/96/1194521196.db2.gz CJWSMYDIFACCTI-KRWDZBQOSA-N 1 2 344.459 2.264 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(OC)nn3)C2)CC1 ZINC001033388512 1194521199 /nfs/dbraw/zinc/52/11/99/1194521199.db2.gz CJWSMYDIFACCTI-KRWDZBQOSA-N 1 2 344.459 2.264 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001033496004 1194647284 /nfs/dbraw/zinc/64/72/84/1194647284.db2.gz DRODVRHKORHPMK-BZSNNMDCSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001033496004 1194647287 /nfs/dbraw/zinc/64/72/87/1194647287.db2.gz DRODVRHKORHPMK-BZSNNMDCSA-N 1 2 347.459 2.387 20 30 EEEDLO CN(C(=O)c1nccs1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033523155 1194690285 /nfs/dbraw/zinc/69/02/85/1194690285.db2.gz XGFRHUXLJGTJDN-INIZCTEOSA-N 1 2 343.427 2.480 20 30 EEEDLO CN(C(=O)c1nccs1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033523155 1194690287 /nfs/dbraw/zinc/69/02/87/1194690287.db2.gz XGFRHUXLJGTJDN-INIZCTEOSA-N 1 2 343.427 2.480 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ncc(C)s3)C2)cn1 ZINC001033597926 1194929497 /nfs/dbraw/zinc/92/94/97/1194929497.db2.gz AZYQMWMALAAYQX-MRXNPFEDSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ncc(C)s3)C2)cn1 ZINC001033597926 1194929498 /nfs/dbraw/zinc/92/94/98/1194929498.db2.gz AZYQMWMALAAYQX-MRXNPFEDSA-N 1 2 340.452 2.174 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001033800976 1195280273 /nfs/dbraw/zinc/28/02/73/1195280273.db2.gz FRGYZJJDWZLFTK-CQSZACIVSA-N 1 2 343.456 2.388 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001033800976 1195280277 /nfs/dbraw/zinc/28/02/77/1195280277.db2.gz FRGYZJJDWZLFTK-CQSZACIVSA-N 1 2 343.456 2.388 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033801285 1195301541 /nfs/dbraw/zinc/30/15/41/1195301541.db2.gz PABJYISGINBORR-INIZCTEOSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033801285 1195301544 /nfs/dbraw/zinc/30/15/44/1195301544.db2.gz PABJYISGINBORR-INIZCTEOSA-N 1 2 341.390 2.157 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2nnc3ccccc3n2)C1 ZINC001033902778 1195455393 /nfs/dbraw/zinc/45/53/93/1195455393.db2.gz QTIKVYNKHGUSPE-CYBMUJFWSA-N 1 2 345.834 2.314 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2nnc3ccccc3n2)C1 ZINC001033902778 1195455396 /nfs/dbraw/zinc/45/53/96/1195455396.db2.gz QTIKVYNKHGUSPE-CYBMUJFWSA-N 1 2 345.834 2.314 20 30 EEEDLO CCN(C(=O)c1csnn1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033912542 1195470731 /nfs/dbraw/zinc/47/07/31/1195470731.db2.gz JKXNVAOIHNZRNR-HNNXBMFYSA-N 1 2 341.440 2.146 20 30 EEEDLO CCN(C(=O)c1csnn1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033912542 1195470735 /nfs/dbraw/zinc/47/07/35/1195470735.db2.gz JKXNVAOIHNZRNR-HNNXBMFYSA-N 1 2 341.440 2.146 20 30 EEEDLO CCN(C(=O)c1cnco1)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033910756 1195485597 /nfs/dbraw/zinc/48/55/97/1195485597.db2.gz LXKWGCFRCAKVAD-QGZVFWFLSA-N 1 2 341.386 2.402 20 30 EEEDLO CCN(C(=O)c1cnco1)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033910756 1195485598 /nfs/dbraw/zinc/48/55/98/1195485598.db2.gz LXKWGCFRCAKVAD-QGZVFWFLSA-N 1 2 341.386 2.402 20 30 EEEDLO C[C@H](CCCCNc1ccc(C#N)cn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001090156204 1195512649 /nfs/dbraw/zinc/51/26/49/1195512649.db2.gz GFZLWPUXLGHHLI-CYBMUJFWSA-N 1 2 326.404 2.006 20 30 EEEDLO C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2n[nH]c(C(F)(F)F)c2C)C1 ZINC001033978527 1195596337 /nfs/dbraw/zinc/59/63/37/1195596337.db2.gz ZSMCBIZAOUXXMX-NSHDSACASA-N 1 2 330.354 2.459 20 30 EEEDLO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2n[nH]c(C(F)(F)F)c2C)C1 ZINC001033978527 1195596339 /nfs/dbraw/zinc/59/63/39/1195596339.db2.gz ZSMCBIZAOUXXMX-NSHDSACASA-N 1 2 330.354 2.459 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H](NC(=O)C(F)F)C2)c1 ZINC001034066371 1195719765 /nfs/dbraw/zinc/71/97/65/1195719765.db2.gz XODZYOLSXJGXER-ZDUSSCGKSA-N 1 2 325.334 2.433 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H](NC(=O)C(F)F)C2)c1 ZINC001034066371 1195719767 /nfs/dbraw/zinc/71/97/67/1195719767.db2.gz XODZYOLSXJGXER-ZDUSSCGKSA-N 1 2 325.334 2.433 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cnc(C2CC2)o1 ZINC001014759582 1224301195 /nfs/dbraw/zinc/30/11/95/1224301195.db2.gz IKOBPDFINQPDAP-QGZVFWFLSA-N 1 2 335.407 2.408 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cnc(C2CC2)o1 ZINC001014759582 1224301202 /nfs/dbraw/zinc/30/12/02/1224301202.db2.gz IKOBPDFINQPDAP-QGZVFWFLSA-N 1 2 335.407 2.408 20 30 EEEDLO Cc1nc(N[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)c2c([nH+]1)CCCC2 ZINC001067090027 1224304464 /nfs/dbraw/zinc/30/44/64/1224304464.db2.gz SYSWJXJSTSDWBH-ACJLOTCBSA-N 1 2 338.455 2.336 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)c2n[nH]cc2C)C1 ZINC001034196666 1195933072 /nfs/dbraw/zinc/93/30/72/1195933072.db2.gz OTGCWJLAYWFTFL-GFCCVEGCSA-N 1 2 341.253 2.211 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)c2n[nH]cc2C)C1 ZINC001034196666 1195933076 /nfs/dbraw/zinc/93/30/76/1195933076.db2.gz OTGCWJLAYWFTFL-GFCCVEGCSA-N 1 2 341.253 2.211 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3nccn3C)C2)cc1 ZINC001034339802 1196112346 /nfs/dbraw/zinc/11/23/46/1196112346.db2.gz MIVBUSAIFSESMF-GOSISDBHSA-N 1 2 336.439 2.186 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](Cc3nccn3C)C2)cc1 ZINC001034339802 1196112348 /nfs/dbraw/zinc/11/23/48/1196112348.db2.gz MIVBUSAIFSESMF-GOSISDBHSA-N 1 2 336.439 2.186 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](Cc3cnns3)C2)cc1 ZINC001034343833 1196126763 /nfs/dbraw/zinc/12/67/63/1196126763.db2.gz GJOHQBWVQRLALB-INIZCTEOSA-N 1 2 340.452 2.304 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](Cc3cnns3)C2)cc1 ZINC001034343833 1196126765 /nfs/dbraw/zinc/12/67/65/1196126765.db2.gz GJOHQBWVQRLALB-INIZCTEOSA-N 1 2 340.452 2.304 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)Cc2cnoc2)C1 ZINC001034360247 1196148200 /nfs/dbraw/zinc/14/82/00/1196148200.db2.gz OOGFSOQACCMQBH-ZDUSSCGKSA-N 1 2 342.237 2.096 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)Cc2cnoc2)C1 ZINC001034360247 1196148203 /nfs/dbraw/zinc/14/82/03/1196148203.db2.gz OOGFSOQACCMQBH-ZDUSSCGKSA-N 1 2 342.237 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+]([C@@H](C)c3ncccn3)C2)cn1 ZINC001034492504 1196282372 /nfs/dbraw/zinc/28/23/72/1196282372.db2.gz GBLXIYQZOOWVAD-YJBOKZPZSA-N 1 2 349.438 2.198 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+]([C@@H](C)c3ncccn3)C2)cn1 ZINC001034492504 1196282373 /nfs/dbraw/zinc/28/23/73/1196282373.db2.gz GBLXIYQZOOWVAD-YJBOKZPZSA-N 1 2 349.438 2.198 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](Cc3nccs3)C2)cn1 ZINC001034500060 1196323689 /nfs/dbraw/zinc/32/36/89/1196323689.db2.gz ZLXAIZVMXSNHFK-MRXNPFEDSA-N 1 2 340.452 2.304 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3nccs3)C2)cn1 ZINC001034500060 1196323694 /nfs/dbraw/zinc/32/36/94/1196323694.db2.gz ZLXAIZVMXSNHFK-MRXNPFEDSA-N 1 2 340.452 2.304 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CCC(C)C)c1C ZINC001018155852 1224404161 /nfs/dbraw/zinc/40/41/61/1224404161.db2.gz XTZHCWJSFWSCNE-CALCHBBNSA-N 1 2 328.460 2.160 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CCC(C)C)c1C ZINC001018155852 1224404166 /nfs/dbraw/zinc/40/41/66/1224404166.db2.gz XTZHCWJSFWSCNE-CALCHBBNSA-N 1 2 328.460 2.160 20 30 EEEDLO C#CC[C@H](CCOC)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000863781369 1197867424 /nfs/dbraw/zinc/86/74/24/1197867424.db2.gz LTMJXSLHAOJALT-GFCCVEGCSA-N 1 2 335.354 2.168 20 30 EEEDLO CC[C@H]1COCC[N@@H+]1CCNc1cc(C(F)(F)F)cnc1C#N ZINC000872773318 1198379152 /nfs/dbraw/zinc/37/91/52/1198379152.db2.gz JFTBNHPBNNBMFG-LBPRGKRZSA-N 1 2 328.338 2.495 20 30 EEEDLO CC[C@H]1COCC[N@H+]1CCNc1cc(C(F)(F)F)cnc1C#N ZINC000872773318 1198379164 /nfs/dbraw/zinc/37/91/64/1198379164.db2.gz JFTBNHPBNNBMFG-LBPRGKRZSA-N 1 2 328.338 2.495 20 30 EEEDLO C[C@H](C[C@H](C)[NH2+]CC(F)(F)C(F)F)NC(=O)CSCC#N ZINC001133737209 1198996908 /nfs/dbraw/zinc/99/69/08/1198996908.db2.gz XBFZPUCMILENAC-DTWKUNHWSA-N 1 2 329.363 2.016 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC001018245849 1224521384 /nfs/dbraw/zinc/52/13/84/1224521384.db2.gz KYFBWCOIUBVIAG-KURKYZTESA-N 1 2 326.440 2.461 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC001018245849 1224521388 /nfs/dbraw/zinc/52/13/88/1224521388.db2.gz KYFBWCOIUBVIAG-KURKYZTESA-N 1 2 326.440 2.461 20 30 EEEDLO Cc1nn(C)c(Cl)c1C[N@H+]1C[C@H](NC(=O)C#CC2CC2)CC[C@H]1C ZINC001132045284 1199251280 /nfs/dbraw/zinc/25/12/80/1199251280.db2.gz DGKFROHYATXYGX-IUODEOHRSA-N 1 2 348.878 2.264 20 30 EEEDLO Cc1nn(C)c(Cl)c1C[N@@H+]1C[C@H](NC(=O)C#CC2CC2)CC[C@H]1C ZINC001132045284 1199251285 /nfs/dbraw/zinc/25/12/85/1199251285.db2.gz DGKFROHYATXYGX-IUODEOHRSA-N 1 2 348.878 2.264 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2cc(C)sc2C)CC[C@@H]1C ZINC001132158188 1199373343 /nfs/dbraw/zinc/37/33/43/1199373343.db2.gz YMFFFMXXLHULIQ-WFASDCNBSA-N 1 2 349.500 2.250 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)sc2C)CC[C@@H]1C ZINC001132158188 1199373348 /nfs/dbraw/zinc/37/33/48/1199373348.db2.gz YMFFFMXXLHULIQ-WFASDCNBSA-N 1 2 349.500 2.250 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCC2CCC2)C1 ZINC001132214097 1199437796 /nfs/dbraw/zinc/43/77/96/1199437796.db2.gz BSYQPCOUVKXBNP-RDJZCZTQSA-N 1 2 349.519 2.474 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NCC2CCC2)C1 ZINC001132214097 1199437798 /nfs/dbraw/zinc/43/77/98/1199437798.db2.gz BSYQPCOUVKXBNP-RDJZCZTQSA-N 1 2 349.519 2.474 20 30 EEEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2nnc(CC(C)C)o2)cc1 ZINC001132226931 1199467614 /nfs/dbraw/zinc/46/76/14/1199467614.db2.gz UZTMDDSZUWYGRB-AWEZNQCLSA-N 1 2 340.427 2.330 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCc2ccc(=O)[nH]c2)CC[C@@H]1C ZINC001132240375 1199489855 /nfs/dbraw/zinc/48/98/55/1199489855.db2.gz FXESPUZYQXZRTC-ZFWWWQNUSA-N 1 2 337.851 2.441 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCc2ccc(=O)[nH]c2)CC[C@@H]1C ZINC001132240375 1199489861 /nfs/dbraw/zinc/48/98/61/1199489861.db2.gz FXESPUZYQXZRTC-ZFWWWQNUSA-N 1 2 337.851 2.441 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCC2CC2)C1 ZINC001132327629 1199572919 /nfs/dbraw/zinc/57/29/19/1199572919.db2.gz SGDZVERVFYZPIJ-GOEBONIOSA-N 1 2 335.492 2.084 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCC2CC2)C1 ZINC001132327629 1199572925 /nfs/dbraw/zinc/57/29/25/1199572925.db2.gz SGDZVERVFYZPIJ-GOEBONIOSA-N 1 2 335.492 2.084 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ccc[nH]2)s1 ZINC001018285230 1224567007 /nfs/dbraw/zinc/56/70/07/1224567007.db2.gz JQYGPBIULSKZMH-GASCZTMLSA-N 1 2 340.452 2.366 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ccc[nH]2)s1 ZINC001018285230 1224567013 /nfs/dbraw/zinc/56/70/13/1224567013.db2.gz JQYGPBIULSKZMH-GASCZTMLSA-N 1 2 340.452 2.366 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2c(C)cccc2F)CC[C@H]1C ZINC001132541623 1199837706 /nfs/dbraw/zinc/83/77/06/1199837706.db2.gz IGXDYOVVZNOUOW-HUUCEWRRSA-N 1 2 347.434 2.019 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2c(C)cccc2F)CC[C@H]1C ZINC001132541623 1199837707 /nfs/dbraw/zinc/83/77/07/1199837707.db2.gz IGXDYOVVZNOUOW-HUUCEWRRSA-N 1 2 347.434 2.019 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CNC(=O)C(CC)CC)CC[C@H]1C ZINC001132546875 1199844683 /nfs/dbraw/zinc/84/46/83/1199844683.db2.gz TUORWUPUCKZHBM-UKRRQHHQSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CNC(=O)C(CC)CC)CC[C@H]1C ZINC001132546875 1199844685 /nfs/dbraw/zinc/84/46/85/1199844685.db2.gz TUORWUPUCKZHBM-UKRRQHHQSA-N 1 2 343.899 2.260 20 30 EEEDLO COCC#CC[N@@H+]1C[C@H](NC(=O)c2cnc(C(C)C)s2)CC[C@H]1C ZINC001132547043 1199844714 /nfs/dbraw/zinc/84/47/14/1199844714.db2.gz WHRWRQMJGBKUNB-HUUCEWRRSA-N 1 2 349.500 2.499 20 30 EEEDLO COCC#CC[N@H+]1C[C@H](NC(=O)c2cnc(C(C)C)s2)CC[C@H]1C ZINC001132547043 1199844715 /nfs/dbraw/zinc/84/47/15/1199844715.db2.gz WHRWRQMJGBKUNB-HUUCEWRRSA-N 1 2 349.500 2.499 20 30 EEEDLO Cc1ccc(C)c(NC(=S)N[NH+]=Cc2cnc(N(C)C)n2C)c1 ZINC000811630589 1200173405 /nfs/dbraw/zinc/17/34/05/1200173405.db2.gz AASKUGXCMXZOMC-UHFFFAOYSA-N 1 2 330.461 2.423 20 30 EEEDLO C#C[C@@H](CCC)NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000812039670 1200473629 /nfs/dbraw/zinc/47/36/29/1200473629.db2.gz SEQCPQVIBIPIQK-OALUTQOASA-N 1 2 343.471 2.031 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCn3nccc32)C1 ZINC001014986786 1224616868 /nfs/dbraw/zinc/61/68/68/1224616868.db2.gz HVQQFXYKJGHGAY-ROUUACIJSA-N 1 2 349.438 2.023 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCn3nccc32)C1 ZINC001014986786 1224616873 /nfs/dbraw/zinc/61/68/73/1224616873.db2.gz HVQQFXYKJGHGAY-ROUUACIJSA-N 1 2 349.438 2.023 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@](C)(C=C)CC)C2)CC1 ZINC001018371069 1224654501 /nfs/dbraw/zinc/65/45/01/1224654501.db2.gz CIEOKYAEGXOXAM-FXAWDEMLSA-N 1 2 347.503 2.158 20 30 EEEDLO CC(C)(O)C1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000879627552 1201178846 /nfs/dbraw/zinc/17/88/46/1201178846.db2.gz KCGSFJPKGGSJML-AWEZNQCLSA-N 1 2 333.457 2.208 20 30 EEEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000880234529 1201430125 /nfs/dbraw/zinc/43/01/25/1201430125.db2.gz FVVBEZIXGRQRSI-AWEZNQCLSA-N 1 2 341.390 2.364 20 30 EEEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880234529 1201430127 /nfs/dbraw/zinc/43/01/27/1201430127.db2.gz FVVBEZIXGRQRSI-AWEZNQCLSA-N 1 2 341.390 2.364 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](CC)C(=O)Nc2ccc(C)cc2)nn1 ZINC000881330913 1201678531 /nfs/dbraw/zinc/67/85/31/1201678531.db2.gz ZNLKRZNHXJNNSH-QGZVFWFLSA-N 1 2 325.416 2.289 20 30 EEEDLO N#CCCCC[N@@H+]1C[C@]2(F)CN(CC3CCCC3)C(=O)[C@]2(F)C1 ZINC001274046055 1204345471 /nfs/dbraw/zinc/34/54/71/1204345471.db2.gz RAYDIUXKSHXIOQ-DLBZAZTESA-N 1 2 325.403 2.445 20 30 EEEDLO N#CCCCC[N@H+]1C[C@]2(F)CN(CC3CCCC3)C(=O)[C@]2(F)C1 ZINC001274046055 1204345475 /nfs/dbraw/zinc/34/54/75/1204345475.db2.gz RAYDIUXKSHXIOQ-DLBZAZTESA-N 1 2 325.403 2.445 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@]23CCN(C2COC2)C3=O)ccc1Cl ZINC001274140650 1204402230 /nfs/dbraw/zinc/40/22/30/1204402230.db2.gz FOXRGQQQCVIMGG-GOSISDBHSA-N 1 2 345.830 2.177 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@]23CCN(C2COC2)C3=O)ccc1Cl ZINC001274140650 1204402231 /nfs/dbraw/zinc/40/22/31/1204402231.db2.gz FOXRGQQQCVIMGG-GOSISDBHSA-N 1 2 345.830 2.177 20 30 EEEDLO C=CCN1CC2(C[NH+](Cc3ccc4ccccc4c3O)C2)OCC1=O ZINC001274216466 1204471941 /nfs/dbraw/zinc/47/19/41/1204471941.db2.gz DDLWLTQKAFMSAZ-UHFFFAOYSA-N 1 2 338.407 2.145 20 30 EEEDLO C=CCOCCCC(=O)N1CC[C@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001110833173 1204905545 /nfs/dbraw/zinc/90/55/45/1204905545.db2.gz UZDLMWULLZVOCG-GOSISDBHSA-N 1 2 332.448 2.418 20 30 EEEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3nccc(C)c3Cl)C2)OCC1=O ZINC001274360931 1205008362 /nfs/dbraw/zinc/00/83/62/1205008362.db2.gz QNVJZMNZVOHFLY-QGZVFWFLSA-N 1 2 335.835 2.033 20 30 EEEDLO C=CCN1C[C@]2(CC[N@H+](Cc3nccc(C)c3Cl)C2)OCC1=O ZINC001274360931 1205008365 /nfs/dbraw/zinc/00/83/65/1205008365.db2.gz QNVJZMNZVOHFLY-QGZVFWFLSA-N 1 2 335.835 2.033 20 30 EEEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)cc(C#N)cc1F)CC2 ZINC001274372609 1205014842 /nfs/dbraw/zinc/01/48/42/1205014842.db2.gz QHCNCAOMUZITGB-HNNXBMFYSA-N 1 2 343.377 2.188 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cn2cc(F)ccc2n1 ZINC001274555645 1205080066 /nfs/dbraw/zinc/08/00/66/1205080066.db2.gz YEXDOIHGVBVASP-IBGZPJMESA-N 1 2 340.402 2.064 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cn2cc(F)ccc2n1 ZINC001274555645 1205080068 /nfs/dbraw/zinc/08/00/68/1205080068.db2.gz YEXDOIHGVBVASP-IBGZPJMESA-N 1 2 340.402 2.064 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cc(OCC)ncc2F)C1=O ZINC001274566113 1205081690 /nfs/dbraw/zinc/08/16/90/1205081690.db2.gz VRMNCPNBJDYKJD-GOSISDBHSA-N 1 2 333.407 2.372 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(OCC)ncc2F)C1=O ZINC001274566113 1205081692 /nfs/dbraw/zinc/08/16/92/1205081692.db2.gz VRMNCPNBJDYKJD-GOSISDBHSA-N 1 2 333.407 2.372 20 30 EEEDLO C=CCN1CCC2(CCN(c3nc(NC4CC4)c(C)c[nH+]3)CC2)C1=O ZINC001274730959 1205146406 /nfs/dbraw/zinc/14/64/06/1205146406.db2.gz FFZOZDHLUSEESU-UHFFFAOYSA-N 1 2 341.459 2.364 20 30 EEEDLO N#Cc1cccc(N2CCC[C@]23CCN(CCn2cc[nH+]c2)C3=O)c1 ZINC001274822001 1205176437 /nfs/dbraw/zinc/17/64/37/1205176437.db2.gz RMKOUNGSJYVIST-LJQANCHMSA-N 1 2 335.411 2.026 20 30 EEEDLO CCn1ccnc1CN1CC2(C1)C[NH+](Cc1ccc(C#N)s1)C2 ZINC001275589662 1205433341 /nfs/dbraw/zinc/43/33/41/1205433341.db2.gz WTWYHVFSMNROKZ-UHFFFAOYSA-N 1 2 327.457 2.154 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC001015193707 1224887931 /nfs/dbraw/zinc/88/79/31/1224887931.db2.gz KANVCZATYIHFIN-CQSZACIVSA-N 1 2 333.819 2.128 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC001015193707 1224887934 /nfs/dbraw/zinc/88/79/34/1224887934.db2.gz KANVCZATYIHFIN-CQSZACIVSA-N 1 2 333.819 2.128 20 30 EEEDLO N#Cc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3Cc2ccc[nH]2)ccc1F ZINC001276238485 1205848950 /nfs/dbraw/zinc/84/89/50/1205848950.db2.gz LOKIKUVKHYBDOP-HDICACEKSA-N 1 2 340.402 2.111 20 30 EEEDLO N#Cc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3Cc2ccc[nH]2)ccc1F ZINC001276238485 1205848951 /nfs/dbraw/zinc/84/89/51/1205848951.db2.gz LOKIKUVKHYBDOP-HDICACEKSA-N 1 2 340.402 2.111 20 30 EEEDLO Cc1nc(N(C)CCCNC(=O)C#CC(C)C)c2c([nH+]1)CCCC2 ZINC001095542818 1205865233 /nfs/dbraw/zinc/86/52/33/1205865233.db2.gz CGXWVBWKBMLEQJ-UHFFFAOYSA-N 1 2 328.460 2.266 20 30 EEEDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(F)cc(C#N)cc1F)C2 ZINC001276287994 1205868667 /nfs/dbraw/zinc/86/86/67/1205868667.db2.gz WVIAQDDCLUIMJS-KBPBESRZSA-N 1 2 348.397 2.461 20 30 EEEDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(F)cc(C#N)cc1F)C2 ZINC001276287994 1205868668 /nfs/dbraw/zinc/86/86/68/1205868668.db2.gz WVIAQDDCLUIMJS-KBPBESRZSA-N 1 2 348.397 2.461 20 30 EEEDLO COC1CC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)C1 ZINC001095587607 1205883250 /nfs/dbraw/zinc/88/32/50/1205883250.db2.gz VNNDEUMWSLWOPK-RBGSFJITSA-N 1 2 339.439 2.205 20 30 EEEDLO COC1CC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)C1 ZINC001095587607 1205883252 /nfs/dbraw/zinc/88/32/52/1205883252.db2.gz VNNDEUMWSLWOPK-RBGSFJITSA-N 1 2 339.439 2.205 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc(C3CC3)cn1)C2 ZINC001095648103 1205902371 /nfs/dbraw/zinc/90/23/71/1205902371.db2.gz IKXVTCUVWUNHQI-PMPSAXMXSA-N 1 2 334.851 2.235 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc(C3CC3)cn1)C2 ZINC001095648103 1205902374 /nfs/dbraw/zinc/90/23/74/1205902374.db2.gz IKXVTCUVWUNHQI-PMPSAXMXSA-N 1 2 334.851 2.235 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)CC ZINC001110888727 1205956492 /nfs/dbraw/zinc/95/64/92/1205956492.db2.gz RWJJTWXVNJODFU-JJXSEGSLSA-N 1 2 335.492 2.225 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)CC ZINC001110888727 1205956496 /nfs/dbraw/zinc/95/64/96/1205956496.db2.gz RWJJTWXVNJODFU-JJXSEGSLSA-N 1 2 335.492 2.225 20 30 EEEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3occc3s1)C2 ZINC001111017930 1207472239 /nfs/dbraw/zinc/47/22/39/1207472239.db2.gz HCQMIXMPXDHXCF-MCIONIFRSA-N 1 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C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2conc2C)C[C@@H]1C ZINC000947679934 1208670958 /nfs/dbraw/zinc/67/09/58/1208670958.db2.gz PJLIKQOTXUISDS-CMPLNLGQSA-N 1 2 342.237 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2conc2C)C[C@@H]1C ZINC000947679934 1208670959 /nfs/dbraw/zinc/67/09/59/1208670959.db2.gz PJLIKQOTXUISDS-CMPLNLGQSA-N 1 2 342.237 2.474 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cc(F)c[nH]3)C2)c(F)c1 ZINC001015318690 1225097545 /nfs/dbraw/zinc/09/75/45/1225097545.db2.gz WHJOJXIEMIXJEW-CQSZACIVSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(F)c[nH]3)C2)c(F)c1 ZINC001015318690 1225097550 /nfs/dbraw/zinc/09/75/50/1225097550.db2.gz WHJOJXIEMIXJEW-CQSZACIVSA-N 1 2 330.338 2.169 20 30 EEEDLO N#CCN1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000948957434 1209473625 /nfs/dbraw/zinc/47/36/25/1209473625.db2.gz FZOGOMNODWZZMU-SJLPKXTDSA-N 1 2 349.438 2.069 20 30 EEEDLO C[C@@H]1OCC[C@]1(C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000949448573 1209690972 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C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(COC)n3)C[C@H]21 ZINC001114752565 1215229754 /nfs/dbraw/zinc/22/97/54/1215229754.db2.gz HCDPVBOKVLIKKT-HALDLXJZSA-N 1 2 335.473 2.192 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(COC)n3)C[C@H]21 ZINC001114752565 1215229757 /nfs/dbraw/zinc/22/97/57/1215229757.db2.gz HCDPVBOKVLIKKT-HALDLXJZSA-N 1 2 335.473 2.192 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncnn3C(C)(C)C)C[C@H]21 ZINC001114792390 1215308452 /nfs/dbraw/zinc/30/84/52/1215308452.db2.gz RZIYNZVKLDOQCV-PGSNGQOISA-N 1 2 345.491 2.182 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncnn3C(C)(C)C)C[C@H]21 ZINC001114792390 1215308454 /nfs/dbraw/zinc/30/84/54/1215308454.db2.gz RZIYNZVKLDOQCV-PGSNGQOISA-N 1 2 345.491 2.182 20 30 EEEDLO CCc1oncc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015779425 1225659133 /nfs/dbraw/zinc/65/91/33/1225659133.db2.gz IAJINCCSELRLAJ-AWEZNQCLSA-N 1 2 342.374 2.252 20 30 EEEDLO CCc1oncc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015779425 1225659136 /nfs/dbraw/zinc/65/91/36/1225659136.db2.gz IAJINCCSELRLAJ-AWEZNQCLSA-N 1 2 342.374 2.252 20 30 EEEDLO Cc1nc(C[N@H+](C)C[C@@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)c(C)o1 ZINC000960539378 1216669086 /nfs/dbraw/zinc/66/90/86/1216669086.db2.gz JOKRDFOTZUHESH-HNNXBMFYSA-N 1 2 341.415 2.228 20 30 EEEDLO Cc1nc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)c(C)o1 ZINC000960539378 1216669089 /nfs/dbraw/zinc/66/90/89/1216669089.db2.gz JOKRDFOTZUHESH-HNNXBMFYSA-N 1 2 341.415 2.228 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2ncc(C)o2)nc1 ZINC000960971415 1216993640 /nfs/dbraw/zinc/99/36/40/1216993640.db2.gz HHZJMBJXULKKEF-INIZCTEOSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ncc(C)o2)nc1 ZINC000960971415 1216993641 /nfs/dbraw/zinc/99/36/41/1216993641.db2.gz HHZJMBJXULKKEF-INIZCTEOSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2nocc2C)cn1 ZINC000960976019 1216996227 /nfs/dbraw/zinc/99/62/27/1216996227.db2.gz KPXBCJUBOMWYPF-QGZVFWFLSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2nocc2C)cn1 ZINC000960976019 1216996228 /nfs/dbraw/zinc/99/62/28/1216996228.db2.gz KPXBCJUBOMWYPF-QGZVFWFLSA-N 1 2 338.411 2.096 20 30 EEEDLO O=C(C#CC1CC1)N1CCC[C@@H]([C@@H]2CC[N@H+](Cc3cnsn3)C2)C1 ZINC000961176464 1217071926 /nfs/dbraw/zinc/07/19/26/1217071926.db2.gz VCNIYRGWHZSLEV-HZPDHXFCSA-N 1 2 344.484 2.012 20 30 EEEDLO O=C(C#CC1CC1)N1CCC[C@@H]([C@@H]2CC[N@@H+](Cc3cnsn3)C2)C1 ZINC000961176464 1217071929 /nfs/dbraw/zinc/07/19/29/1217071929.db2.gz VCNIYRGWHZSLEV-HZPDHXFCSA-N 1 2 344.484 2.012 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001015863844 1225763042 /nfs/dbraw/zinc/76/30/42/1225763042.db2.gz ZBSNEFBHPDYXGN-OAHLLOKOSA-N 1 2 341.390 2.042 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001015863844 1225763052 /nfs/dbraw/zinc/76/30/52/1225763052.db2.gz ZBSNEFBHPDYXGN-OAHLLOKOSA-N 1 2 341.390 2.042 20 30 EEEDLO O=C(Cc1ccco1)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015882177 1225781834 /nfs/dbraw/zinc/78/18/34/1225781834.db2.gz LIXPPGCZIHPREV-QGZVFWFLSA-N 1 2 326.371 2.203 20 30 EEEDLO O=C(Cc1ccco1)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015882177 1225781836 /nfs/dbraw/zinc/78/18/36/1225781836.db2.gz LIXPPGCZIHPREV-QGZVFWFLSA-N 1 2 326.371 2.203 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)c3ncccc3O)C2)c1 ZINC001007190670 1218207567 /nfs/dbraw/zinc/20/75/67/1218207567.db2.gz QFMSPAWHBXTUPQ-INIZCTEOSA-N 1 2 336.395 2.053 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)c3ncccc3O)C2)c1 ZINC001007190670 1218207568 /nfs/dbraw/zinc/20/75/68/1218207568.db2.gz QFMSPAWHBXTUPQ-INIZCTEOSA-N 1 2 336.395 2.053 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000965850971 1219290990 /nfs/dbraw/zinc/29/09/90/1219290990.db2.gz HKWCEUWUECWTNZ-AUUYWEPGSA-N 1 2 347.422 2.398 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000965850971 1219290994 /nfs/dbraw/zinc/29/09/94/1219290994.db2.gz HKWCEUWUECWTNZ-AUUYWEPGSA-N 1 2 347.422 2.398 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C(C)C)o3)C[C@H]21 ZINC001114896097 1219414767 /nfs/dbraw/zinc/41/47/67/1219414767.db2.gz JCSTVSZDSFQMJB-NHAGDIPZSA-N 1 2 332.448 2.342 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nnc(C(C)C)o3)C[C@H]21 ZINC001114896097 1219414768 /nfs/dbraw/zinc/41/47/68/1219414768.db2.gz JCSTVSZDSFQMJB-NHAGDIPZSA-N 1 2 332.448 2.342 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC000966896032 1220103754 /nfs/dbraw/zinc/10/37/54/1220103754.db2.gz LKCGTZRSENLCKM-QMTHXVAHSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC000966896032 1220103756 /nfs/dbraw/zinc/10/37/56/1220103756.db2.gz LKCGTZRSENLCKM-QMTHXVAHSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000967649802 1220708409 /nfs/dbraw/zinc/70/84/09/1220708409.db2.gz YKAODVUUKBNLFY-MRXNPFEDSA-N 1 2 344.459 2.079 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000967699371 1220748081 /nfs/dbraw/zinc/74/80/81/1220748081.db2.gz DBIBGNSWWBVJJJ-RHSMWYFYSA-N 1 2 339.443 2.488 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000967699371 1220748084 /nfs/dbraw/zinc/74/80/84/1220748084.db2.gz DBIBGNSWWBVJJJ-RHSMWYFYSA-N 1 2 339.443 2.488 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000968090745 1221040156 /nfs/dbraw/zinc/04/01/56/1221040156.db2.gz GDRBBUGXHWYSIL-SPYBWZPUSA-N 1 2 344.459 2.175 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000968090745 1221040160 /nfs/dbraw/zinc/04/01/60/1221040160.db2.gz GDRBBUGXHWYSIL-SPYBWZPUSA-N 1 2 344.459 2.175 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1n[nH]cc1F ZINC000968253236 1221154301 /nfs/dbraw/zinc/15/43/01/1221154301.db2.gz MJXCSAKEAGPMBW-MLGOLLRUSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1n[nH]cc1F ZINC000968253236 1221154304 /nfs/dbraw/zinc/15/43/04/1221154304.db2.gz MJXCSAKEAGPMBW-MLGOLLRUSA-N 1 2 341.390 2.061 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2nnn(CC)c2CC)C1 ZINC000968327399 1221211804 /nfs/dbraw/zinc/21/18/04/1221211804.db2.gz NBTZLQLMFKXGND-DGCLKSJQSA-N 1 2 339.871 2.053 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2nnn(CC)c2CC)C1 ZINC000968327399 1221211805 /nfs/dbraw/zinc/21/18/05/1221211805.db2.gz NBTZLQLMFKXGND-DGCLKSJQSA-N 1 2 339.871 2.053 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cn(C(C)C)nn2)C1 ZINC000968483264 1221340580 /nfs/dbraw/zinc/34/05/80/1221340580.db2.gz FRGLSQILUZKDDP-DGCLKSJQSA-N 1 2 325.844 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cn(C(C)C)nn2)C1 ZINC000968483264 1221340585 /nfs/dbraw/zinc/34/05/85/1221340585.db2.gz FRGLSQILUZKDDP-DGCLKSJQSA-N 1 2 325.844 2.052 20 30 EEEDLO Cc1ccc(C#N)c(NCCC[C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001114917043 1221347820 /nfs/dbraw/zinc/34/78/20/1221347820.db2.gz UWXIXMNGSVXRLK-CYBMUJFWSA-N 1 2 340.431 2.314 20 30 EEEDLO CCCCc1noc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC000968617894 1221442678 /nfs/dbraw/zinc/44/26/78/1221442678.db2.gz OMNNLVZDADFMDP-DZGCQCFKSA-N 1 2 330.432 2.077 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC000968740948 1221528863 /nfs/dbraw/zinc/52/88/63/1221528863.db2.gz HLLDSJMRKAFDCM-KGLIPLIRSA-N 1 2 345.281 2.435 20 30 EEEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC000968740948 1221528866 /nfs/dbraw/zinc/52/88/66/1221528866.db2.gz HLLDSJMRKAFDCM-KGLIPLIRSA-N 1 2 345.281 2.435 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)Cc3ccon3)C2)cc1F ZINC001006956534 1222034303 /nfs/dbraw/zinc/03/43/03/1222034303.db2.gz BRSLYSRUOKXYTH-MRXNPFEDSA-N 1 2 342.374 2.009 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)Cc3ccon3)C2)cc1F ZINC001006956534 1222034306 /nfs/dbraw/zinc/03/43/06/1222034306.db2.gz BRSLYSRUOKXYTH-MRXNPFEDSA-N 1 2 342.374 2.009 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001007088715 1222089467 /nfs/dbraw/zinc/08/94/67/1222089467.db2.gz YTZRZZRVGBKHPN-KRWDZBQOSA-N 1 2 336.395 2.053 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001007088715 1222089470 /nfs/dbraw/zinc/08/94/70/1222089470.db2.gz YTZRZZRVGBKHPN-KRWDZBQOSA-N 1 2 336.395 2.053 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2nn(C)c3ccccc23)C1 ZINC001007346173 1222183989 /nfs/dbraw/zinc/18/39/89/1222183989.db2.gz UTENLYIYOSHFDL-CQSZACIVSA-N 1 2 346.862 2.449 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2nn(C)c3ccccc23)C1 ZINC001007346173 1222183991 /nfs/dbraw/zinc/18/39/91/1222183991.db2.gz UTENLYIYOSHFDL-CQSZACIVSA-N 1 2 346.862 2.449 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccns3)C2)c1 ZINC001007446332 1222231846 /nfs/dbraw/zinc/23/18/46/1222231846.db2.gz YQPITAZBZJFMMN-OAHLLOKOSA-N 1 2 326.425 2.409 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccns3)C2)c1 ZINC001007446332 1222231849 /nfs/dbraw/zinc/23/18/49/1222231849.db2.gz YQPITAZBZJFMMN-OAHLLOKOSA-N 1 2 326.425 2.409 20 30 EEEDLO COC1CC(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001007558537 1222292919 /nfs/dbraw/zinc/29/29/19/1222292919.db2.gz ZQUQMHGGSOFYPN-AQFXKWCLSA-N 1 2 345.418 2.203 20 30 EEEDLO COC1CC(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001007558537 1222292923 /nfs/dbraw/zinc/29/29/23/1222292923.db2.gz ZQUQMHGGSOFYPN-AQFXKWCLSA-N 1 2 345.418 2.203 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)Cc3cnoc3)C2)ccc1F ZINC001008284387 1222736780 /nfs/dbraw/zinc/73/67/80/1222736780.db2.gz PLTYYWHJBQQNLY-MRXNPFEDSA-N 1 2 342.374 2.009 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)Cc3cnoc3)C2)ccc1F ZINC001008284387 1222736781 /nfs/dbraw/zinc/73/67/81/1222736781.db2.gz PLTYYWHJBQQNLY-MRXNPFEDSA-N 1 2 342.374 2.009 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC3CCCC3)C2)CC1 ZINC001008410707 1222816922 /nfs/dbraw/zinc/81/69/22/1222816922.db2.gz KRPFZCUJXUCJHM-SFHVURJKSA-N 1 2 347.503 2.372 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC3CCCC3)C2)CC1 ZINC001008410707 1222816928 /nfs/dbraw/zinc/81/69/28/1222816928.db2.gz KRPFZCUJXUCJHM-SFHVURJKSA-N 1 2 347.503 2.372 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC2(C)C)C1 ZINC001008565698 1222931044 /nfs/dbraw/zinc/93/10/44/1222931044.db2.gz YYVMOTRKKKSJRW-CQSZACIVSA-N 1 2 344.459 2.052 20 30 EEEDLO Cc1conc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001009115702 1223145555 /nfs/dbraw/zinc/14/55/55/1223145555.db2.gz JPMYXJWIRJRDMZ-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1conc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001009115702 1223145559 /nfs/dbraw/zinc/14/55/59/1223145559.db2.gz JPMYXJWIRJRDMZ-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1conc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001009118119 1223145751 /nfs/dbraw/zinc/14/57/51/1223145751.db2.gz TUMGXGAIWNOZGK-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1conc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001009118119 1223145754 /nfs/dbraw/zinc/14/57/54/1223145754.db2.gz TUMGXGAIWNOZGK-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)n1C ZINC001010169201 1223585510 /nfs/dbraw/zinc/58/55/10/1223585510.db2.gz ORYDGZCFWVDDMZ-MRXNPFEDSA-N 1 2 340.402 2.349 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)n1C ZINC001010169201 1223585512 /nfs/dbraw/zinc/58/55/12/1223585512.db2.gz ORYDGZCFWVDDMZ-MRXNPFEDSA-N 1 2 340.402 2.349 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)cn1 ZINC001010177630 1223589480 /nfs/dbraw/zinc/58/94/80/1223589480.db2.gz LFXMDASOTATQSB-KRWDZBQOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)cn1 ZINC001010177630 1223589483 /nfs/dbraw/zinc/58/94/83/1223589483.db2.gz LFXMDASOTATQSB-KRWDZBQOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)c1C ZINC001010399116 1223701012 /nfs/dbraw/zinc/70/10/12/1223701012.db2.gz ZUPYERWSSLTBDP-OAHLLOKOSA-N 1 2 341.390 2.042 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)c1C ZINC001010399116 1223701016 /nfs/dbraw/zinc/70/10/16/1223701016.db2.gz ZUPYERWSSLTBDP-OAHLLOKOSA-N 1 2 341.390 2.042 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)ns1 ZINC001010774511 1223901275 /nfs/dbraw/zinc/90/12/75/1223901275.db2.gz RSCYNCITUJOCHC-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)ns1 ZINC001010774511 1223901276 /nfs/dbraw/zinc/90/12/76/1223901276.db2.gz RSCYNCITUJOCHC-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)NCCc2ccccc2)cc1 ZINC000113249062 1226728590 /nfs/dbraw/zinc/72/85/90/1226728590.db2.gz ZQLRELVQHMOVBB-AWEZNQCLSA-N 1 2 341.411 2.080 20 30 EEEDLO Cn1nc(C2CC2)cc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001014597898 1226824645 /nfs/dbraw/zinc/82/46/45/1226824645.db2.gz WKVGFXHXIDDVTG-GOSISDBHSA-N 1 2 348.450 2.153 20 30 EEEDLO Cn1nc(C2CC2)cc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001014597898 1226824647 /nfs/dbraw/zinc/82/46/47/1226824647.db2.gz WKVGFXHXIDDVTG-GOSISDBHSA-N 1 2 348.450 2.153 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)c2ccns2)C1 ZINC001014605033 1226833236 /nfs/dbraw/zinc/83/32/36/1226833236.db2.gz OEUQTIRNAWEYHN-AWEZNQCLSA-N 1 2 342.424 2.028 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)c2ccns2)C1 ZINC001014605033 1226833240 /nfs/dbraw/zinc/83/32/40/1226833240.db2.gz OEUQTIRNAWEYHN-AWEZNQCLSA-N 1 2 342.424 2.028 20 30 EEEDLO Cn1nc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)cc1C1CC1 ZINC001014641710 1226871450 /nfs/dbraw/zinc/87/14/50/1226871450.db2.gz YJKSDTBTMYASQD-GOSISDBHSA-N 1 2 348.450 2.153 20 30 EEEDLO Cn1nc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cc1C1CC1 ZINC001014641710 1226871454 /nfs/dbraw/zinc/87/14/54/1226871454.db2.gz YJKSDTBTMYASQD-GOSISDBHSA-N 1 2 348.450 2.153 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)nc1 ZINC001058267320 1248780071 /nfs/dbraw/zinc/78/00/71/1248780071.db2.gz UQKVWGUREGHYLC-HNNXBMFYSA-N 1 2 346.394 2.228 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001067183358 1227341296 /nfs/dbraw/zinc/34/12/96/1227341296.db2.gz OMPKGOPLCNJOAF-OCCSQVGLSA-N 1 2 342.447 2.224 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(Cl)n[nH]c1C1CC1 ZINC001017610414 1227570304 /nfs/dbraw/zinc/57/03/04/1227570304.db2.gz VUXQYGWJHMLUMD-BETUJISGSA-N 1 2 332.835 2.253 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(Cl)n[nH]c1C1CC1 ZINC001017610414 1227570307 /nfs/dbraw/zinc/57/03/07/1227570307.db2.gz VUXQYGWJHMLUMD-BETUJISGSA-N 1 2 332.835 2.253 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC001017734041 1227687024 /nfs/dbraw/zinc/68/70/24/1227687024.db2.gz XMBWOKZBVKCRTK-WSTZPKSXSA-N 1 2 338.451 2.387 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC001017734041 1227687027 /nfs/dbraw/zinc/68/70/27/1227687027.db2.gz XMBWOKZBVKCRTK-WSTZPKSXSA-N 1 2 338.451 2.387 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnn(C3CCC3)c2)c1 ZINC001038256406 1229707140 /nfs/dbraw/zinc/70/71/40/1229707140.db2.gz SHPZMWZNRWXQAA-IBGZPJMESA-N 1 2 349.438 2.484 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnn(C3CCC3)c2)c1 ZINC001038256406 1229707145 /nfs/dbraw/zinc/70/71/45/1229707145.db2.gz SHPZMWZNRWXQAA-IBGZPJMESA-N 1 2 349.438 2.484 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)c1cccn2nccc12 ZINC001038451971 1229834390 /nfs/dbraw/zinc/83/43/90/1229834390.db2.gz AYJXCCALRLRFFG-SFHVURJKSA-N 1 2 344.418 2.190 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)c1cccn2nccc12 ZINC001038451971 1229834396 /nfs/dbraw/zinc/83/43/96/1229834396.db2.gz AYJXCCALRLRFFG-SFHVURJKSA-N 1 2 344.418 2.190 20 30 EEEDLO Cc1cc(C)c(C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)c(=O)[nH]1 ZINC001038569270 1229920304 /nfs/dbraw/zinc/92/03/04/1229920304.db2.gz QOFNDOZLLXVXFZ-GOSISDBHSA-N 1 2 349.434 2.260 20 30 EEEDLO Cc1cc(C)c(C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)c(=O)[nH]1 ZINC001038569270 1229920309 /nfs/dbraw/zinc/92/03/09/1229920309.db2.gz QOFNDOZLLXVXFZ-GOSISDBHSA-N 1 2 349.434 2.260 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CCn2cc(Cl)cn2)cc1 ZINC001038582686 1229927443 /nfs/dbraw/zinc/92/74/43/1229927443.db2.gz QOCBEHQZQKCUHT-KRWDZBQOSA-N 1 2 342.830 2.022 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CCn2cc(Cl)cn2)cc1 ZINC001038582686 1229927445 /nfs/dbraw/zinc/92/74/45/1229927445.db2.gz QOCBEHQZQKCUHT-KRWDZBQOSA-N 1 2 342.830 2.022 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC001038664953 1229961238 /nfs/dbraw/zinc/96/12/38/1229961238.db2.gz BKQCKZTZTCLROA-FUHWJXTLSA-N 1 2 347.503 2.324 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC001038664953 1229961240 /nfs/dbraw/zinc/96/12/40/1229961240.db2.gz BKQCKZTZTCLROA-FUHWJXTLSA-N 1 2 347.503 2.324 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2C2CC2)cc1C#N ZINC001038799196 1230065379 /nfs/dbraw/zinc/06/53/79/1230065379.db2.gz JGTONBXQKZYZCY-FGTMMUONSA-N 1 2 339.439 2.303 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2C2CC2)cc1C#N ZINC001038799196 1230065383 /nfs/dbraw/zinc/06/53/83/1230065383.db2.gz JGTONBXQKZYZCY-FGTMMUONSA-N 1 2 339.439 2.303 20 30 EEEDLO CN(C)c1ncccc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001039020504 1230241492 /nfs/dbraw/zinc/24/14/92/1230241492.db2.gz WODWFBNTTQWIPI-KRWDZBQOSA-N 1 2 349.438 2.024 20 30 EEEDLO CN(C)c1ncccc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001039020504 1230241494 /nfs/dbraw/zinc/24/14/94/1230241494.db2.gz WODWFBNTTQWIPI-KRWDZBQOSA-N 1 2 349.438 2.024 20 30 EEEDLO CN(C)c1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)nc1 ZINC001039059908 1230272120 /nfs/dbraw/zinc/27/21/20/1230272120.db2.gz HLSAUEOZTAHPMU-GOSISDBHSA-N 1 2 349.438 2.024 20 30 EEEDLO CN(C)c1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)nc1 ZINC001039059908 1230272124 /nfs/dbraw/zinc/27/21/24/1230272124.db2.gz HLSAUEOZTAHPMU-GOSISDBHSA-N 1 2 349.438 2.024 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@](C)(O)C1CC1 ZINC001039358941 1230551858 /nfs/dbraw/zinc/55/18/58/1230551858.db2.gz UUVOITSGRFHNMH-HLLBOEOZSA-N 1 2 326.868 2.355 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@](C)(O)C1CC1 ZINC001039358941 1230551855 /nfs/dbraw/zinc/55/18/55/1230551855.db2.gz UUVOITSGRFHNMH-HLLBOEOZSA-N 1 2 326.868 2.355 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cn(CC)nn1)C2 ZINC001040324435 1231170749 /nfs/dbraw/zinc/17/07/49/1231170749.db2.gz VHHCRVVUDXMWSA-IBGZPJMESA-N 1 2 345.491 2.325 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cn(CC)nn1)C2 ZINC001040324435 1231170750 /nfs/dbraw/zinc/17/07/50/1231170750.db2.gz VHHCRVVUDXMWSA-IBGZPJMESA-N 1 2 345.491 2.325 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cnn(C)n1)C2 ZINC001040333628 1231175642 /nfs/dbraw/zinc/17/56/42/1231175642.db2.gz STEXDKQUSBSAAM-IBGZPJMESA-N 1 2 345.491 2.232 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cnn(C)n1)C2 ZINC001040333628 1231175643 /nfs/dbraw/zinc/17/56/43/1231175643.db2.gz STEXDKQUSBSAAM-IBGZPJMESA-N 1 2 345.491 2.232 20 30 EEEDLO COc1ccc(C[NH+]2CC(N(C)C(=O)c3ccc(C#N)[nH]3)C2)cc1C ZINC001042628248 1232124556 /nfs/dbraw/zinc/12/45/56/1232124556.db2.gz DTVAIBAAJKBHPI-UHFFFAOYSA-N 1 2 338.411 2.160 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001043478635 1232448619 /nfs/dbraw/zinc/44/86/19/1232448619.db2.gz OAOSWBNAQSCRLG-DFHBCGBQSA-N 1 2 346.479 2.107 20 30 EEEDLO C#CCOc1ncccc1C(=O)N(C)C1C[NH+](CC2=CCCCC2)C1 ZINC001044202481 1232785199 /nfs/dbraw/zinc/78/51/99/1232785199.db2.gz VLTFGLVPAIZEDQ-UHFFFAOYSA-N 1 2 339.439 2.350 20 30 EEEDLO CCc1cnc(C[NH+]2CCC(C)(NC(=O)c3cc(C#N)c[nH]3)CC2)o1 ZINC001045400453 1233720680 /nfs/dbraw/zinc/72/06/80/1233720680.db2.gz AAJRBCLDCZYUFR-UHFFFAOYSA-N 1 2 341.415 2.221 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2coc(C)n2)CC1 ZINC001045412055 1233729344 /nfs/dbraw/zinc/72/93/44/1233729344.db2.gz DCPDCTQWLSZLNE-UHFFFAOYSA-N 1 2 342.237 2.476 20 30 EEEDLO C=CCn1cccc1C(=O)NC1(C)CC[NH+](Cc2nc(C)no2)CC1 ZINC001045460240 1233757974 /nfs/dbraw/zinc/75/79/74/1233757974.db2.gz CTEXLTIAMYXJQP-UHFFFAOYSA-N 1 2 343.431 2.150 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001046221510 1234568561 /nfs/dbraw/zinc/56/85/61/1234568561.db2.gz RSQHERIMCUWDPJ-SFHVURJKSA-N 1 2 340.431 2.058 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001046221510 1234568563 /nfs/dbraw/zinc/56/85/63/1234568563.db2.gz RSQHERIMCUWDPJ-SFHVURJKSA-N 1 2 340.431 2.058 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC001046369401 1234717757 /nfs/dbraw/zinc/71/77/57/1234717757.db2.gz UPRMFTUJSXPISU-GFCCVEGCSA-N 1 2 336.745 2.375 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC001046369401 1234717754 /nfs/dbraw/zinc/71/77/54/1234717754.db2.gz UPRMFTUJSXPISU-GFCCVEGCSA-N 1 2 336.745 2.375 20 30 EEEDLO Cc1nocc1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046584284 1234964818 /nfs/dbraw/zinc/96/48/18/1234964818.db2.gz ZDBPCSVCMVEIIH-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nocc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046584284 1234964820 /nfs/dbraw/zinc/96/48/20/1234964820.db2.gz ZDBPCSVCMVEIIH-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC001046629845 1235012704 /nfs/dbraw/zinc/01/27/04/1235012704.db2.gz JNISJRFMHPTOGG-VCBZYWHSSA-N 1 2 347.459 2.470 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2ncc(C(C)C)o2)C1 ZINC001046629845 1235012708 /nfs/dbraw/zinc/01/27/08/1235012708.db2.gz JNISJRFMHPTOGG-VCBZYWHSSA-N 1 2 347.459 2.470 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001046764763 1235162266 /nfs/dbraw/zinc/16/22/66/1235162266.db2.gz FUSSHOODLBDKRA-QGZVFWFLSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001046764763 1235162267 /nfs/dbraw/zinc/16/22/67/1235162267.db2.gz FUSSHOODLBDKRA-QGZVFWFLSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001046991486 1235402292 /nfs/dbraw/zinc/40/22/92/1235402292.db2.gz HUXPFGHPKAFONB-GFCCVEGCSA-N 1 2 345.777 2.227 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001046991486 1235402294 /nfs/dbraw/zinc/40/22/94/1235402294.db2.gz HUXPFGHPKAFONB-GFCCVEGCSA-N 1 2 345.777 2.227 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nocc1C ZINC001096147664 1235434758 /nfs/dbraw/zinc/43/47/58/1235434758.db2.gz MAELHJCTFFSVAG-RCMKLKEOSA-N 1 2 345.443 2.186 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nocc1C ZINC001096147664 1235434759 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1246400090 /nfs/dbraw/zinc/40/00/90/1246400090.db2.gz POHPQAIVPZYFED-SFHVURJKSA-N 1 2 347.890 2.256 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1 ZINC001052054146 1246425404 /nfs/dbraw/zinc/42/54/04/1246425404.db2.gz ZTNLAMPNTICWDP-SOLBZPMBSA-N 1 2 337.895 2.148 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1 ZINC001052053745 1246425608 /nfs/dbraw/zinc/42/56/08/1246425608.db2.gz RBCVPXSVNVFLGT-FHWLQOOXSA-N 1 2 331.504 2.217 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CCc1ccccc1OC)CCO2 ZINC001053526769 1246434024 /nfs/dbraw/zinc/43/40/24/1246434024.db2.gz WPXQCLDVKDSMSW-UHFFFAOYSA-N 1 2 344.455 2.117 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C(C3CCC3)C3CCC3)C2)CC1 ZINC001052071777 1246446711 /nfs/dbraw/zinc/44/67/11/1246446711.db2.gz ZQVDDLMQDVZFTJ-IBGZPJMESA-N 1 2 343.515 2.055 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C)c(Cl)c3)C2)CC1 ZINC001052074596 1246449247 /nfs/dbraw/zinc/44/92/47/1246449247.db2.gz HTCMBORIIRSERO-KRWDZBQOSA-N 1 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ZINC001052115479 1246498630 /nfs/dbraw/zinc/49/86/30/1246498630.db2.gz XEXKBTNVDWLZMF-KRWDZBQOSA-N 1 2 345.512 2.084 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC4CCC3CC4)C2)CC1 ZINC001052121665 1246506281 /nfs/dbraw/zinc/50/62/81/1246506281.db2.gz GKIXLRNZIZVUEA-NTFDOXNWSA-N 1 2 343.515 2.055 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccc(C)s3)C2)CC1 ZINC001052122479 1246508458 /nfs/dbraw/zinc/50/84/58/1246508458.db2.gz UMXMJLJONGTYRO-KRWDZBQOSA-N 1 2 347.528 2.394 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC(F)(F)C1)O2 ZINC001053608722 1246527421 /nfs/dbraw/zinc/52/74/21/1246527421.db2.gz JDKDLIHHZLBAQR-KGLIPLIRSA-N 1 2 328.403 2.348 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc3[nH]ccc3c1)O2 ZINC001053609956 1246529178 /nfs/dbraw/zinc/52/91/78/1246529178.db2.gz GTMSIMYWOSHCAJ-INIZCTEOSA-N 1 2 340.427 2.054 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(N(C)C)cc1F)O2 ZINC001053611791 1246532557 /nfs/dbraw/zinc/53/25/57/1246532557.db2.gz YUVFLSYUXXLGQU-HNNXBMFYSA-N 1 2 347.434 2.041 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(C)noc1C1CC1)O2 ZINC001053629105 1246558833 /nfs/dbraw/zinc/55/88/33/1246558833.db2.gz GQKXBQHKBFMSMI-CQSZACIVSA-N 1 2 331.416 2.010 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(OC)cc1C)O2 ZINC001053654427 1246597646 /nfs/dbraw/zinc/59/76/46/1246597646.db2.gz LZXLOKMDGRHJOL-INIZCTEOSA-N 1 2 330.428 2.153 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(C)nsc1C)O2 ZINC001053701800 1246678866 /nfs/dbraw/zinc/67/88/66/1246678866.db2.gz FYAXAADIFWIRPS-CQSZACIVSA-N 1 2 335.473 2.299 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccccc1CC)CO2 ZINC001053844756 1246894817 /nfs/dbraw/zinc/89/48/17/1246894817.db2.gz MFYBYYWMVVPFCS-SFHVURJKSA-N 1 2 328.456 2.327 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(Cl)ccc1F)CO2 ZINC001053862714 1246929285 /nfs/dbraw/zinc/92/92/85/1246929285.db2.gz DEQBAANFAWPRSZ-ZDUSSCGKSA-N 1 2 336.794 2.076 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1oc(CCC)nc1C)CO2 ZINC001053982872 1247106913 /nfs/dbraw/zinc/10/69/13/1247106913.db2.gz QGBKRKXSRYVJPQ-CQSZACIVSA-N 1 2 333.432 2.085 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001054042109 1247205161 /nfs/dbraw/zinc/20/51/61/1247205161.db2.gz OPKZZKLUSYHKEE-AABGKKOBSA-N 1 2 340.467 2.224 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001054042109 1247205170 /nfs/dbraw/zinc/20/51/70/1247205170.db2.gz OPKZZKLUSYHKEE-AABGKKOBSA-N 1 2 340.467 2.224 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(C)nc1C ZINC001054060026 1247271501 /nfs/dbraw/zinc/27/15/01/1247271501.db2.gz FGLDXXMQFSTUFV-LJQANCHMSA-N 1 2 333.435 2.488 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(C)nc1C ZINC001054060026 1247271511 /nfs/dbraw/zinc/27/15/11/1247271511.db2.gz FGLDXXMQFSTUFV-LJQANCHMSA-N 1 2 333.435 2.488 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(C)nc1C ZINC001054060025 1247271594 /nfs/dbraw/zinc/27/15/94/1247271594.db2.gz FGLDXXMQFSTUFV-IBGZPJMESA-N 1 2 333.435 2.488 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(C)nc1C ZINC001054060025 1247271601 /nfs/dbraw/zinc/27/16/01/1247271601.db2.gz FGLDXXMQFSTUFV-IBGZPJMESA-N 1 2 333.435 2.488 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001057771980 1247452037 /nfs/dbraw/zinc/45/20/37/1247452037.db2.gz TUNWZBHGVNJGDN-AWEZNQCLSA-N 1 2 341.390 2.456 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001057771980 1247452039 /nfs/dbraw/zinc/45/20/39/1247452039.db2.gz TUNWZBHGVNJGDN-AWEZNQCLSA-N 1 2 341.390 2.456 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCO[C@H]3CC)cc2C1 ZINC001054267778 1247942809 /nfs/dbraw/zinc/94/28/09/1247942809.db2.gz CYSAAMPYFTXDHZ-MOPGFXCFSA-N 1 2 326.440 2.457 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCO[C@H]3CC)cc2C1 ZINC001054267778 1247942810 /nfs/dbraw/zinc/94/28/10/1247942810.db2.gz CYSAAMPYFTXDHZ-MOPGFXCFSA-N 1 2 326.440 2.457 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3c(CC)ncnc3CC)cc2C1 ZINC001054282268 1248000405 /nfs/dbraw/zinc/00/04/05/1248000405.db2.gz YOSAPQPRSFQTBL-UHFFFAOYSA-N 1 2 348.450 2.480 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3c(CC)ncnc3CC)cc2C1 ZINC001054282268 1248000409 /nfs/dbraw/zinc/00/04/09/1248000409.db2.gz YOSAPQPRSFQTBL-UHFFFAOYSA-N 1 2 348.450 2.480 20 30 EEEDLO Cc1nc(N2C[C@]3(C)CN(C(=O)[C@H](C)C#N)C[C@]3(C)C2)c(C)c(C)[nH+]1 ZINC001068419156 1251005487 /nfs/dbraw/zinc/00/54/87/1251005487.db2.gz RMQXQRBPLQUFTG-DPMMWBKBSA-N 1 2 341.459 2.236 20 30 EEEDLO C[C@@H]1[C@@H](Nc2cccc(F)c2C#N)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001068972415 1252025878 /nfs/dbraw/zinc/02/58/78/1252025878.db2.gz ULJNWRVMQDKGEM-WBMJQRKESA-N 1 2 341.390 2.455 20 30 EEEDLO C[C@@H]1[C@@H](Nc2cccc(F)c2C#N)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001068972415 1252025887 /nfs/dbraw/zinc/02/58/87/1252025887.db2.gz ULJNWRVMQDKGEM-WBMJQRKESA-N 1 2 341.390 2.455 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC(n2ncc3c2C[N@H+](CC2CCC2)C3)CC1 ZINC001070344401 1253550221 /nfs/dbraw/zinc/55/02/21/1253550221.db2.gz KHCKCYMXQFRPIV-CQSZACIVSA-N 1 2 341.459 2.322 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC(n2ncc3c2C[N@@H+](CC2CCC2)C3)CC1 ZINC001070344401 1253550226 /nfs/dbraw/zinc/55/02/26/1253550226.db2.gz KHCKCYMXQFRPIV-CQSZACIVSA-N 1 2 341.459 2.322 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(F)c[nH]1)C[C@H](C)O2 ZINC001071191210 1254035113 /nfs/dbraw/zinc/03/51/13/1254035113.db2.gz BVTQFSFWTRBAGP-LRDDRELGSA-N 1 2 341.814 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(F)c[nH]1)C[C@H](C)O2 ZINC001071191210 1254035128 /nfs/dbraw/zinc/03/51/28/1254035128.db2.gz BVTQFSFWTRBAGP-LRDDRELGSA-N 1 2 341.814 2.212 20 30 EEEDLO Cc1nc(C[N@H+]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)CC[C@H]2C)oc1C ZINC001071439112 1254187811 /nfs/dbraw/zinc/18/78/11/1254187811.db2.gz XDJRVSBOISPORZ-IAQYHMDHSA-N 1 2 341.415 2.274 20 30 EEEDLO Cc1nc(C[N@@H+]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)CC[C@H]2C)oc1C ZINC001071439112 1254187817 /nfs/dbraw/zinc/18/78/17/1254187817.db2.gz XDJRVSBOISPORZ-IAQYHMDHSA-N 1 2 341.415 2.274 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn(C3CCC3)nn2)CC[C@H]1C ZINC001071511412 1254300498 /nfs/dbraw/zinc/30/04/98/1254300498.db2.gz LYGRQKOBFNMXGW-OLZOCXBDSA-N 1 2 337.855 2.338 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cn(C3CCC3)nn2)CC[C@H]1C ZINC001071511412 1254300510 /nfs/dbraw/zinc/30/05/10/1254300510.db2.gz LYGRQKOBFNMXGW-OLZOCXBDSA-N 1 2 337.855 2.338 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnc(C)nc2OC)CC[C@@H]1C ZINC001071548193 1254320257 /nfs/dbraw/zinc/32/02/57/1254320257.db2.gz BOTRYOUMCIYQHT-WCQYABFASA-N 1 2 338.839 2.129 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnc(C)nc2OC)CC[C@@H]1C ZINC001071548193 1254320266 /nfs/dbraw/zinc/32/02/66/1254320266.db2.gz BOTRYOUMCIYQHT-WCQYABFASA-N 1 2 338.839 2.129 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cn3cccnc3n2)CC[C@@H]1C ZINC001071646077 1254463820 /nfs/dbraw/zinc/46/38/20/1254463820.db2.gz RRWPSWBUQWRBIA-QWHCGFSZSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cn3cccnc3n2)CC[C@@H]1C ZINC001071646077 1254463822 /nfs/dbraw/zinc/46/38/22/1254463822.db2.gz RRWPSWBUQWRBIA-QWHCGFSZSA-N 1 2 333.823 2.065 20 30 EEEDLO C=CCCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=C)Cl)C2)nn1 ZINC001071887544 1254752357 /nfs/dbraw/zinc/75/23/57/1254752357.db2.gz YBZOKHXQUKFYBL-KGLIPLIRSA-N 1 2 337.855 2.189 20 30 EEEDLO C=CCCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=C)Cl)C2)nn1 ZINC001071887544 1254752366 /nfs/dbraw/zinc/75/23/66/1254752366.db2.gz YBZOKHXQUKFYBL-KGLIPLIRSA-N 1 2 337.855 2.189 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001072429040 1255154332 /nfs/dbraw/zinc/15/43/32/1255154332.db2.gz AWWBJLQLOCDYRF-KGLIPLIRSA-N 1 2 332.448 2.007 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001074104964 1256716882 /nfs/dbraw/zinc/71/68/82/1256716882.db2.gz XKYCBUVISLMZDK-CVEARBPZSA-N 1 2 346.475 2.229 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)CCC1 ZINC001074263479 1256829469 /nfs/dbraw/zinc/82/94/69/1256829469.db2.gz KVHRQKZNLQNJFG-HOCLYGCPSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccn4c3CCCC4)C[C@H]21 ZINC001074266492 1256835186 /nfs/dbraw/zinc/83/51/86/1256835186.db2.gz LLVKZKFRIFPXAA-MOPGFXCFSA-N 1 2 343.471 2.316 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccn4c3CCCC4)C[C@H]21 ZINC001074266492 1256835196 /nfs/dbraw/zinc/83/51/96/1256835196.db2.gz LLVKZKFRIFPXAA-MOPGFXCFSA-N 1 2 343.471 2.316 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3ccsc3)C[C@@H]21 ZINC001074266680 1256836706 /nfs/dbraw/zinc/83/67/06/1256836706.db2.gz PCKKYEMZFFHCAM-DLBZAZTESA-N 1 2 332.469 2.006 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3ccsc3)C[C@@H]21 ZINC001074266680 1256836719 /nfs/dbraw/zinc/83/67/19/1256836719.db2.gz PCKKYEMZFFHCAM-DLBZAZTESA-N 1 2 332.469 2.006 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c4ccccc34)C[C@@H]21 ZINC001074289747 1256862646 /nfs/dbraw/zinc/86/26/46/1256862646.db2.gz 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C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CN(C)C(=O)CC(C)(C)C2CC2)C1=O ZINC001234113289 1304747775 /nfs/dbraw/zinc/74/77/75/1304747775.db2.gz VALYUVHYINOJSY-IRXDYDNUSA-N 1 2 347.503 2.132 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N1CCC[C@@H](C)C1 ZINC001234536920 1304957106 /nfs/dbraw/zinc/95/71/06/1304957106.db2.gz IVKPLMHNUDVPNX-IAGOWNOFSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N1CCC[C@@H](C)C1 ZINC001234536920 1304957110 /nfs/dbraw/zinc/95/71/10/1304957110.db2.gz IVKPLMHNUDVPNX-IAGOWNOFSA-N 1 2 349.519 2.380 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001234614339 1304986087 /nfs/dbraw/zinc/98/60/87/1304986087.db2.gz QCAWKSZEEDAIHO-MRXNPFEDSA-N 1 2 344.459 2.449 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1conc1C)OCC ZINC001234642813 1304997985 /nfs/dbraw/zinc/99/79/85/1304997985.db2.gz LATJIWGDLLGQPS-DLBZAZTESA-N 1 2 335.448 2.387 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1conc1C)OCC ZINC001234642813 1304997987 /nfs/dbraw/zinc/99/79/87/1304997987.db2.gz LATJIWGDLLGQPS-DLBZAZTESA-N 1 2 335.448 2.387 20 30 EEEDLO C[C@H](C#N)C(=O)NCC1([NH2+]Cc2nnsc2Cl)CCCCC1 ZINC001115451989 1305143252 /nfs/dbraw/zinc/14/32/52/1305143252.db2.gz MUQIDPKOBQGFEE-SNVBAGLBSA-N 1 2 341.868 2.260 20 30 EEEDLO N#CCc1ccccc1C[N@H+]1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001235519222 1305264544 /nfs/dbraw/zinc/26/45/44/1305264544.db2.gz RXRHMSFCMBSHOE-QGZVFWFLSA-N 1 2 346.438 2.478 20 30 EEEDLO N#CCc1ccccc1C[N@@H+]1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001235519222 1305264549 /nfs/dbraw/zinc/26/45/49/1305264549.db2.gz RXRHMSFCMBSHOE-QGZVFWFLSA-N 1 2 346.438 2.478 20 30 EEEDLO COC(=O)C1(C#N)CC[NH+](Cc2c(O)cc(OC)cc2Cl)CC1 ZINC001236806159 1305683006 /nfs/dbraw/zinc/68/30/06/1305683006.db2.gz OGTFEEOIDOWNTR-UHFFFAOYSA-N 1 2 338.791 2.333 20 30 EEEDLO N#Cc1cc[nH]c1C[NH+]1CCC2(C[C@@H]2C(=O)NCc2ccncc2)CC1 ZINC001278063424 1305858304 /nfs/dbraw/zinc/85/83/04/1305858304.db2.gz RMANQNMWLNYRSS-QGZVFWFLSA-N 1 2 349.438 2.200 20 30 EEEDLO C[C@H]1c2ncc(CC(=O)N3CC(CC#N)C3)n2CC[N@H+]1CC(C)(C)C ZINC001278111491 1305971325 /nfs/dbraw/zinc/97/13/25/1305971325.db2.gz DPMJFOAOUOFRHH-AWEZNQCLSA-N 1 2 343.475 2.220 20 30 EEEDLO C[C@H]1c2ncc(CC(=O)N3CC(CC#N)C3)n2CC[N@@H+]1CC(C)(C)C ZINC001278111491 1305971329 /nfs/dbraw/zinc/97/13/29/1305971329.db2.gz DPMJFOAOUOFRHH-AWEZNQCLSA-N 1 2 343.475 2.220 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cn3cc(C#N)ccc3n2)CC[C@]1(O)C(F)(F)F ZINC001237609264 1306000978 /nfs/dbraw/zinc/00/09/78/1306000978.db2.gz PFRGODPMSZZPRB-IAQYHMDHSA-N 1 2 338.333 2.341 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cn3cc(C#N)ccc3n2)CC[C@]1(O)C(F)(F)F ZINC001237609264 1306000987 /nfs/dbraw/zinc/00/09/87/1306000987.db2.gz PFRGODPMSZZPRB-IAQYHMDHSA-N 1 2 338.333 2.341 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)ccc1Cl ZINC001238194253 1306288275 /nfs/dbraw/zinc/28/82/75/1306288275.db2.gz LBUPXPYBDDXTMF-QGZVFWFLSA-N 1 2 347.846 2.425 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)ccc1Cl ZINC001238194253 1306288290 /nfs/dbraw/zinc/28/82/90/1306288290.db2.gz LBUPXPYBDDXTMF-QGZVFWFLSA-N 1 2 347.846 2.425 20 30 EEEDLO C#CC[NH+]1CCN(Cc2c(F)ccc(OC)c2Br)CC1 ZINC001238315795 1306328703 /nfs/dbraw/zinc/32/87/03/1306328703.db2.gz KPSFHGMJPJZGET-UHFFFAOYSA-N 1 2 341.224 2.348 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001120427140 1309528664 /nfs/dbraw/zinc/52/86/64/1309528664.db2.gz VOTCZWANAODNRM-LBPRGKRZSA-N 1 2 330.436 2.224 20 30 EEEDLO C[C@@H](C#N)CN(C)c1nnc(Cc2[nH+]ccn2Cc2ccccc2)n1C ZINC001121358200 1309991788 /nfs/dbraw/zinc/99/17/88/1309991788.db2.gz WXXBGXUTUKUCTM-HNNXBMFYSA-N 1 2 349.442 2.247 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)CCC(C)C ZINC001121636535 1310082094 /nfs/dbraw/zinc/08/20/94/1310082094.db2.gz YTCUKNPKIAKSEG-UHFFFAOYSA-N 1 2 335.496 2.151 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C[C@H]1C ZINC001123291001 1310515953 /nfs/dbraw/zinc/51/59/53/1310515953.db2.gz SAHLEEOBHSZDPW-HUUCEWRRSA-N 1 2 343.475 2.222 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C[C@H]1C ZINC001123291001 1310515984 /nfs/dbraw/zinc/51/59/84/1310515984.db2.gz SAHLEEOBHSZDPW-HUUCEWRRSA-N 1 2 343.475 2.222 20 30 EEEDLO COC(=O)[C@@H]([NH3+])Cc1nc(-c2ccc(-c3ccc(C#N)cc3)cc2)no1 ZINC001247631074 1310656768 /nfs/dbraw/zinc/65/67/68/1310656768.db2.gz PDZPQYCRLJUFMN-INIZCTEOSA-N 1 2 348.362 2.318 20 30 EEEDLO C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123795618 1310709989 /nfs/dbraw/zinc/70/99/89/1310709989.db2.gz RYSBACSFOKQRSM-HKUYNNGSSA-N 1 2 344.503 2.061 20 30 EEEDLO C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001123795618 1310709997 /nfs/dbraw/zinc/70/99/97/1310709997.db2.gz RYSBACSFOKQRSM-HKUYNNGSSA-N 1 2 344.503 2.061 20 30 EEEDLO C=CCOCCCC(=O)NCCC1=CC[N@H+](Cc2ccon2)CC1 ZINC001159674057 1319943138 /nfs/dbraw/zinc/94/31/38/1319943138.db2.gz FHQDEBBPHBMUBE-UHFFFAOYSA-N 1 2 333.432 2.296 20 30 EEEDLO C=CCOCCCC(=O)NCCC1=CC[N@@H+](Cc2ccon2)CC1 ZINC001159674057 1319943143 /nfs/dbraw/zinc/94/31/43/1319943143.db2.gz FHQDEBBPHBMUBE-UHFFFAOYSA-N 1 2 333.432 2.296 20 30 EEEDLO COCC1(CNC(=O)[C@@H](C)C#N)CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC001162165287 1320770525 /nfs/dbraw/zinc/77/05/25/1320770525.db2.gz HCVNIPMUBYBQJZ-BPLGCGBFSA-N 1 2 348.274 2.310 20 30 EEEDLO Nc1ccc2c(c1)CCCC2=[NH+]NC(=S)NCCc1ccccn1 ZINC000834952902 1314891154 /nfs/dbraw/zinc/89/11/54/1314891154.db2.gz ZYKGKJZCDJVJPM-UHFFFAOYSA-N 1 2 339.468 2.411 20 30 EEEDLO CCCCCCCS(=O)(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000841568968 1315579677 /nfs/dbraw/zinc/57/96/77/1315579677.db2.gz HTGWJQMVPFELDS-UHFFFAOYSA-N 1 2 334.526 2.329 20 30 EEEDLO C#CCCCC(=O)NC[C@@H]1C[N@H+](Cc2ncoc2C(C)C)CCCO1 ZINC001149640891 1316003744 /nfs/dbraw/zinc/00/37/44/1316003744.db2.gz WBDSWUVBGGGGLL-MRXNPFEDSA-N 1 2 347.459 2.309 20 30 EEEDLO C#CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ncoc2C(C)C)CCCO1 ZINC001149640891 1316003746 /nfs/dbraw/zinc/00/37/46/1316003746.db2.gz WBDSWUVBGGGGLL-MRXNPFEDSA-N 1 2 347.459 2.309 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)CC(C)(C)COC)C1 ZINC001150030992 1316132223 /nfs/dbraw/zinc/13/22/23/1316132223.db2.gz VXLMVKWPUQQTKY-AWEZNQCLSA-N 1 2 332.872 2.009 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)CC(C)(C)COC)C1 ZINC001150030992 1316132228 /nfs/dbraw/zinc/13/22/28/1316132228.db2.gz VXLMVKWPUQQTKY-AWEZNQCLSA-N 1 2 332.872 2.009 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1C[N@H+](CC(=C)Cl)CCCO1 ZINC001150046727 1316138037 /nfs/dbraw/zinc/13/80/37/1316138037.db2.gz CWEHJDSOEGTZFB-WBVHZDCISA-N 1 2 344.883 2.175 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1C[N@@H+](CC(=C)Cl)CCCO1 ZINC001150046727 1316138041 /nfs/dbraw/zinc/13/80/41/1316138041.db2.gz CWEHJDSOEGTZFB-WBVHZDCISA-N 1 2 344.883 2.175 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1C[N@H+](Cc2cnc(C)cn2)CCCO1 ZINC001150138790 1316174500 /nfs/dbraw/zinc/17/45/00/1316174500.db2.gz FJDYSCIQYWSQAY-YJBOKZPZSA-N 1 2 346.475 2.094 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2cnc(C)cn2)CCCO1 ZINC001150138790 1316174509 /nfs/dbraw/zinc/17/45/09/1316174509.db2.gz FJDYSCIQYWSQAY-YJBOKZPZSA-N 1 2 346.475 2.094 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1C[N@H+](Cc2cncc(F)c2)CCCO1 ZINC001150223990 1316206822 /nfs/dbraw/zinc/20/68/22/1316206822.db2.gz GUVQAILFTUDBGR-QGZVFWFLSA-N 1 2 335.423 2.284 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2cncc(F)c2)CCCO1 ZINC001150223990 1316206827 /nfs/dbraw/zinc/20/68/27/1316206827.db2.gz GUVQAILFTUDBGR-QGZVFWFLSA-N 1 2 335.423 2.284 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@H+](Cc3nocc3C)CCCO2)C1 ZINC001150282128 1316224911 /nfs/dbraw/zinc/22/49/11/1316224911.db2.gz HWOJVEQUJWDZAC-OAHLLOKOSA-N 1 2 333.432 2.046 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@@H+](Cc3nocc3C)CCCO2)C1 ZINC001150282128 1316224916 /nfs/dbraw/zinc/22/49/16/1316224916.db2.gz HWOJVEQUJWDZAC-OAHLLOKOSA-N 1 2 333.432 2.046 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[N@H+](Cc2nocc2C)CCCO1 ZINC001150373038 1316247000 /nfs/dbraw/zinc/24/70/00/1316247000.db2.gz VFEHJHZVAUKVGQ-HNNXBMFYSA-N 1 2 335.448 2.292 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[N@@H+](Cc2nocc2C)CCCO1 ZINC001150373038 1316247004 /nfs/dbraw/zinc/24/70/04/1316247004.db2.gz VFEHJHZVAUKVGQ-HNNXBMFYSA-N 1 2 335.448 2.292 20 30 EEEDLO CC[N@H+](Cc1csc(C)n1)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 ZINC001152642013 1316701488 /nfs/dbraw/zinc/70/14/88/1316701488.db2.gz YHFVXJJZNYRCEP-LLVKDONJSA-N 1 2 331.445 2.292 20 30 EEEDLO CC[N@@H+](Cc1csc(C)n1)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 ZINC001152642013 1316701490 /nfs/dbraw/zinc/70/14/90/1316701490.db2.gz YHFVXJJZNYRCEP-LLVKDONJSA-N 1 2 331.445 2.292 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccnc3)C2)c1F ZINC001249692989 1317155221 /nfs/dbraw/zinc/15/52/21/1317155221.db2.gz HBFHRUKFJRNRBI-QGZVFWFLSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)c3cccnc3)C2)c1F ZINC001249692989 1317155223 /nfs/dbraw/zinc/15/52/23/1317155223.db2.gz HBFHRUKFJRNRBI-QGZVFWFLSA-N 1 2 338.386 2.487 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)CC(=O)Nc1ccon1 ZINC001154751408 1317295119 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20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1ccn(CC)n1 ZINC001155621879 1317678693 /nfs/dbraw/zinc/67/86/93/1317678693.db2.gz RVJPJQHKEMAUIU-GFCCVEGCSA-N 1 2 343.269 2.252 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1nccs1 ZINC001155963289 1317806457 /nfs/dbraw/zinc/80/64/57/1317806457.db2.gz VSEIKNLPSJRQSO-SNVBAGLBSA-N 1 2 332.267 2.492 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1nccs1 ZINC001155963289 1317806472 /nfs/dbraw/zinc/80/64/72/1317806472.db2.gz VSEIKNLPSJRQSO-SNVBAGLBSA-N 1 2 332.267 2.492 20 30 EEEDLO C=CC[C@H]([NH2+][C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)C(=O)OC ZINC001254890807 1318220196 /nfs/dbraw/zinc/22/01/96/1318220196.db2.gz IJHCGGQSTISWEA-YJNKXOJESA-N 1 2 338.448 2.339 20 30 EEEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1[C@H](C)Cc1ccccn1 ZINC001256413045 1318730198 /nfs/dbraw/zinc/73/01/98/1318730198.db2.gz BNVKZNFJPQNDQS-QAPCUYQASA-N 1 2 341.459 2.426 20 30 EEEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@H](C)Cc1ccccn1 ZINC001256413045 1318730201 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2.219 20 30 EEEDLO C=CCCC(=O)NCCC1=CC[N@@H+](Cc2nnc3n2CCCC3)CC1 ZINC001159544275 1319872684 /nfs/dbraw/zinc/87/26/84/1319872684.db2.gz NWHSZPDKFBJPBJ-UHFFFAOYSA-N 1 2 343.475 2.219 20 30 EEEDLO Cc1nnc([C@@H](C)[N@H+]2CC=C(CCNC(=O)C#CC3CC3)CC2)s1 ZINC001160081798 1320066125 /nfs/dbraw/zinc/06/61/25/1320066125.db2.gz VTRVWGMGGRMMED-CYBMUJFWSA-N 1 2 344.484 2.459 20 30 EEEDLO Cc1nnc([C@@H](C)[N@@H+]2CC=C(CCNC(=O)C#CC3CC3)CC2)s1 ZINC001160081798 1320066128 /nfs/dbraw/zinc/06/61/28/1320066128.db2.gz VTRVWGMGGRMMED-CYBMUJFWSA-N 1 2 344.484 2.459 20 30 EEEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)cc(O)c1O ZINC001204344893 1322120280 /nfs/dbraw/zinc/12/02/80/1322120280.db2.gz KNVYBGONKLMOKN-UHFFFAOYSA-N 1 2 339.395 2.300 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](CO)[C@@H]1C ZINC001262948181 1322403111 /nfs/dbraw/zinc/40/31/11/1322403111.db2.gz CVDUIXYXPUNLTB-XHSDSOJGSA-N 1 2 333.480 2.218 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](CO)[C@@H]1C ZINC001262948181 1322403112 /nfs/dbraw/zinc/40/31/12/1322403112.db2.gz CVDUIXYXPUNLTB-XHSDSOJGSA-N 1 2 333.480 2.218 20 30 EEEDLO CCOCCCn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)C[C@H](C)C#N ZINC001263368950 1322472110 /nfs/dbraw/zinc/47/21/10/1322472110.db2.gz IEBWUUPPUXOCFB-HUUCEWRRSA-N 1 2 334.468 2.067 20 30 EEEDLO CCOCCCn1c([C@H]2CCC[N@H+]2C)nnc1N(C)C[C@H](C)C#N ZINC001263368950 1322472112 /nfs/dbraw/zinc/47/21/12/1322472112.db2.gz IEBWUUPPUXOCFB-HUUCEWRRSA-N 1 2 334.468 2.067 20 30 EEEDLO N#Cc1cc(C[NH+]2CCC(NC(=O)C(F)(F)F)CC2)ccc1F ZINC001205493567 1323161308 /nfs/dbraw/zinc/16/13/08/1323161308.db2.gz AONKXPDJJQVKHL-UHFFFAOYSA-N 1 2 329.297 2.340 20 30 EEEDLO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ncccn3)CC2)cc1 ZINC001207020024 1323792828 /nfs/dbraw/zinc/79/28/28/1323792828.db2.gz XUQOPKPRWBECMB-UHFFFAOYSA-N 1 2 336.399 2.134 20 30 EEEDLO Cn1cc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)cc1C#N ZINC001207104695 1323851097 /nfs/dbraw/zinc/85/10/97/1323851097.db2.gz VZXVTUHYYLLXMA-GBESFXJTSA-N 1 2 338.411 2.103 20 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ZINC001609056897 1351826607 /nfs/dbraw/zinc/82/66/07/1351826607.db2.gz KYUJTSRHIGRLJA-UHFFFAOYSA-N 1 2 335.415 2.198 20 30 EEEDLO Cc1ccc(S(=O)(=O)Cc2noc([C@H]([NH3+])CCCC#N)n2)cc1 ZINC001325927252 1333997817 /nfs/dbraw/zinc/99/78/17/1333997817.db2.gz RUQYJGXDOWVOJU-CYBMUJFWSA-N 1 2 334.401 2.046 20 30 EEEDLO COCC#CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001328643919 1334493008 /nfs/dbraw/zinc/49/30/08/1334493008.db2.gz ZLOLJZOCIFZAME-OAHLLOKOSA-N 1 2 338.810 2.382 20 30 EEEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(F)CC1 ZINC001338994590 1336942194 /nfs/dbraw/zinc/94/21/94/1336942194.db2.gz GLELZCBSBBOJAC-UHFFFAOYSA-N 1 2 346.454 2.495 20 30 EEEDLO CCOCCCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@H](C#N)C1 ZINC001343936769 1337357802 /nfs/dbraw/zinc/35/78/02/1337357802.db2.gz AKSYPIXYVAHRJE-HOTGVXAUSA-N 1 2 346.479 2.211 20 30 EEEDLO CCOCCCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@@H](C#N)C1 ZINC001343936769 1337357804 /nfs/dbraw/zinc/35/78/04/1337357804.db2.gz AKSYPIXYVAHRJE-HOTGVXAUSA-N 1 2 346.479 2.211 20 30 EEEDLO C=CCN(CC=C)c1nnc(C[NH+]2CCCCC2)n1C[C@@H]1CCOC1 ZINC001345250151 1337433061 /nfs/dbraw/zinc/43/30/61/1337433061.db2.gz ASCMHZMTALCZIA-KRWDZBQOSA-N 1 2 345.491 2.479 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001346780496 1337492215 /nfs/dbraw/zinc/49/22/15/1337492215.db2.gz YQTYCWJUIWCNKU-GDBMZVCRSA-N 1 2 336.505 2.080 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001346780496 1337492216 /nfs/dbraw/zinc/49/22/16/1337492216.db2.gz YQTYCWJUIWCNKU-GDBMZVCRSA-N 1 2 336.505 2.080 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001346780520 1337492252 /nfs/dbraw/zinc/49/22/52/1337492252.db2.gz YQTYCWJUIWCNKU-ZBFHGGJFSA-N 1 2 336.505 2.080 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001346780520 1337492254 /nfs/dbraw/zinc/49/22/54/1337492254.db2.gz YQTYCWJUIWCNKU-ZBFHGGJFSA-N 1 2 336.505 2.080 20 30 EEEDLO CCC(CC)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001100054355 1337956871 /nfs/dbraw/zinc/95/68/71/1337956871.db2.gz VNPLSCAILSJNML-RTBURBONSA-N 1 2 343.471 2.436 20 30 EEEDLO CCC(CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001100054355 1337956874 /nfs/dbraw/zinc/95/68/74/1337956874.db2.gz VNPLSCAILSJNML-RTBURBONSA-N 1 2 343.471 2.436 20 30 EEEDLO CCN(CCNC(=O)c1ccc(C#N)[nH]1)c1cc(C)[nH+]c(C2CC2)n1 ZINC001100491091 1338433177 /nfs/dbraw/zinc/43/31/77/1338433177.db2.gz OCOCAVASTKJFMV-UHFFFAOYSA-N 1 2 338.415 2.119 20 30 EEEDLO C=CCn1c(Nc2ccn(CC)n2)nnc1[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001355887448 1338763717 /nfs/dbraw/zinc/76/37/17/1338763717.db2.gz ZMVRFDALIPURPE-AWEZNQCLSA-N 1 2 345.451 2.206 20 30 EEEDLO C=CCn1c(Nc2ccn(CC)n2)nnc1[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001355887448 1338763718 /nfs/dbraw/zinc/76/37/18/1338763718.db2.gz ZMVRFDALIPURPE-AWEZNQCLSA-N 1 2 345.451 2.206 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)CCC(C)(F)F)C2)CC1 ZINC001368516466 1374423352 /nfs/dbraw/zinc/42/33/52/1374423352.db2.gz ZPRYYAWZHLNREN-CQSZACIVSA-N 1 2 349.853 2.393 20 30 EEEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001602807765 1350589415 /nfs/dbraw/zinc/58/94/15/1350589415.db2.gz PPOYAENTNINPLC-MRXNPFEDSA-N 1 2 339.399 2.074 20 30 EEEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001602807765 1350589417 /nfs/dbraw/zinc/58/94/17/1350589417.db2.gz PPOYAENTNINPLC-MRXNPFEDSA-N 1 2 339.399 2.074 20 30 EEEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(CC)o3)C[C@H]21 ZINC001188807741 1368320580 /nfs/dbraw/zinc/32/05/80/1368320580.db2.gz MBGVEQLRVFWZKC-JKSUJKDBSA-N 1 2 344.459 2.248 20 30 EEEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nnc(CC)o3)C[C@H]21 ZINC001188807741 1368320586 /nfs/dbraw/zinc/32/05/86/1368320586.db2.gz MBGVEQLRVFWZKC-JKSUJKDBSA-N 1 2 344.459 2.248 20 30 EEEDLO CCO[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001194957214 1368498991 /nfs/dbraw/zinc/49/89/91/1368498991.db2.gz ZHFBUOISZUYOBI-AWEZNQCLSA-N 1 2 333.407 2.157 20 30 EEEDLO CCO[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001194957214 1368498994 /nfs/dbraw/zinc/49/89/94/1368498994.db2.gz ZHFBUOISZUYOBI-AWEZNQCLSA-N 1 2 333.407 2.157 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC001197629917 1368622156 /nfs/dbraw/zinc/62/21/56/1368622156.db2.gz JZNSNMRKBJJNRF-QZTJIDSGSA-N 1 2 349.519 2.237 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC001197629917 1368622162 /nfs/dbraw/zinc/62/21/62/1368622162.db2.gz JZNSNMRKBJJNRF-QZTJIDSGSA-N 1 2 349.519 2.237 20 30 EEEDLO C=CCN1C(=O)C2(CC[NH+](CC(=O)OC)CC2)[C@H]1c1ccccc1 ZINC001273931652 1368883678 /nfs/dbraw/zinc/88/36/78/1368883678.db2.gz QXTHXFHMRPYBPR-QGZVFWFLSA-N 1 2 328.412 2.011 20 30 EEEDLO N#CC[C@@H]1CCC[N@@H+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)C1 ZINC000853523397 1369345328 /nfs/dbraw/zinc/34/53/28/1369345328.db2.gz CLNMFAFOGYYOHP-IRXDYDNUSA-N 1 2 325.412 2.187 20 30 EEEDLO N#CC[C@@H]1CCC[N@H+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)C1 ZINC000853523397 1369345335 /nfs/dbraw/zinc/34/53/35/1369345335.db2.gz 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Cc1ccc(C#N)c(NCCC[C@@H](C)NC(=O)CCn2cc[nH+]c2)n1 ZINC001115037744 1371495850 /nfs/dbraw/zinc/49/58/50/1371495850.db2.gz ZAUJFIBMXJUREA-CQSZACIVSA-N 1 2 340.431 2.245 20 30 EEEDLO CC(=[NH+]Nc1cccc(S(C)(=O)=O)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799112220 1371629401 /nfs/dbraw/zinc/62/94/01/1371629401.db2.gz QGSIDOCYJWAHJC-UHFFFAOYSA-N 1 2 348.384 2.417 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC(=C)C ZINC001122626829 1372066111 /nfs/dbraw/zinc/06/61/11/1372066111.db2.gz DATGQQXAALXESW-ULQDDVLXSA-N 1 2 343.475 2.238 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC(=C)C ZINC001122626829 1372066117 /nfs/dbraw/zinc/06/61/17/1372066117.db2.gz DATGQQXAALXESW-ULQDDVLXSA-N 1 2 343.475 2.238 20 30 EEEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc(C)cc1O ZINC001140952606 1372726471 /nfs/dbraw/zinc/72/64/71/1372726471.db2.gz ZAFROALURFHZRR-INIZCTEOSA-N 1 2 328.416 2.131 20 30 EEEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc(C)cc1O ZINC001140952606 1372726474 /nfs/dbraw/zinc/72/64/74/1372726474.db2.gz ZAFROALURFHZRR-INIZCTEOSA-N 1 2 328.416 2.131 20 30 EEEDLO Cc1ccc(-c2nnc([C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)C#N)o2)cc1 ZINC001366516163 1373931123 /nfs/dbraw/zinc/93/11/23/1373931123.db2.gz AHECIGSMWKPKTG-UONOGXRCSA-N 1 2 341.415 2.314 20 30 EEEDLO Cc1ccc(-c2nnc([C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)C#N)o2)cc1 ZINC001366516163 1373931124 /nfs/dbraw/zinc/93/11/24/1373931124.db2.gz AHECIGSMWKPKTG-UONOGXRCSA-N 1 2 341.415 2.314 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)COCC3CC3)C2)c1 ZINC001369800833 1374657085 /nfs/dbraw/zinc/65/70/85/1374657085.db2.gz UOTXTUQIALHBFA-QGZVFWFLSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)COCC3CC3)C2)c1 ZINC001369800833 1374657091 /nfs/dbraw/zinc/65/70/91/1374657091.db2.gz UOTXTUQIALHBFA-QGZVFWFLSA-N 1 2 345.418 2.205 20 30 EEEDLO Cc1c[nH]nc1C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001372805114 1376218176 /nfs/dbraw/zinc/21/81/76/1376218176.db2.gz SANZUIZKUDHLDV-UHFFFAOYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1c[nH]nc1C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001372805114 1376218179 /nfs/dbraw/zinc/21/81/79/1376218179.db2.gz SANZUIZKUDHLDV-UHFFFAOYSA-N 1 2 341.390 2.123 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ccn(C)c(=O)c2)C1 ZINC001373095155 1376409566 /nfs/dbraw/zinc/40/95/66/1376409566.db2.gz BNYWHODIXZCKAZ-HNNXBMFYSA-N 1 2 337.851 2.064 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccn(C)c(=O)c2)C1 ZINC001373095155 1376409569 /nfs/dbraw/zinc/40/95/69/1376409569.db2.gz BNYWHODIXZCKAZ-HNNXBMFYSA-N 1 2 337.851 2.064 20 30 EEEDLO CC[C@H](C)OCC(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001374482233 1376859410 /nfs/dbraw/zinc/85/94/10/1376859410.db2.gz FNSKMJNXAGXMSJ-AWEZNQCLSA-N 1 2 335.423 2.403 20 30 EEEDLO CC[C@H](C)OCC(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001374482233 1376859416 /nfs/dbraw/zinc/85/94/16/1376859416.db2.gz FNSKMJNXAGXMSJ-AWEZNQCLSA-N 1 2 335.423 2.403 20 30 EEEDLO Cc1cccnc1C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001377144110 1379000366 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EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)COc2ccccc2OC)C1 ZINC001402096596 1397764427 /nfs/dbraw/zinc/76/44/27/1397764427.db2.gz ARBNLPXIADNQSN-AWEZNQCLSA-N 1 2 338.835 2.407 20 30 EEEDLO C=CC1(CC(=O)NC[C@@H]2CC[N@H+]2CC(=O)N(C)CC)CCCCC1 ZINC001754495911 1406917615 /nfs/dbraw/zinc/91/76/15/1406917615.db2.gz BQCZFGGCVBNZKR-INIZCTEOSA-N 1 2 335.492 2.182 20 30 EEEDLO C=CC1(CC(=O)NC[C@@H]2CC[N@@H+]2CC(=O)N(C)CC)CCCCC1 ZINC001754495911 1406917617 /nfs/dbraw/zinc/91/76/17/1406917617.db2.gz BQCZFGGCVBNZKR-INIZCTEOSA-N 1 2 335.492 2.182 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2c(F)ccc(C)c2F)C1 ZINC001402304507 1397923519 /nfs/dbraw/zinc/92/35/19/1397923519.db2.gz YWVAQVVLAHKEGU-INIZCTEOSA-N 1 2 344.789 2.192 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2c(F)ccc(C)c2F)C1 ZINC001402304507 1397923523 /nfs/dbraw/zinc/92/35/23/1397923523.db2.gz YWVAQVVLAHKEGU-INIZCTEOSA-N 1 2 344.789 2.192 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1c[nH]c(C)n1 ZINC001402625650 1398101032 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C[C@H]1CO[C@@H](C(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)C1 ZINC000981646257 777908196 /nfs/dbraw/zinc/90/81/96/777908196.db2.gz JPMXLCOTCODDRD-CRAIPNDOSA-N 1 2 327.428 2.018 20 30 EEEDLO C[C@@H]1CO[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)C1 ZINC000981647351 777909615 /nfs/dbraw/zinc/90/96/15/777909615.db2.gz ZRJYCZXUBIMYDJ-XJKSGUPXSA-N 1 2 333.457 2.079 20 30 EEEDLO C[C@@H]1CO[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)C1 ZINC000981647351 777909622 /nfs/dbraw/zinc/90/96/22/777909622.db2.gz ZRJYCZXUBIMYDJ-XJKSGUPXSA-N 1 2 333.457 2.079 20 30 EEEDLO O=C(C#CC1CC1)N1CC2(C1)CCC[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC000981761795 778156318 /nfs/dbraw/zinc/15/63/18/778156318.db2.gz RSDCWERCMGWNOZ-UHFFFAOYSA-N 1 2 339.439 2.390 20 30 EEEDLO O=C(C#CC1CC1)N1CC2(C1)CCC[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC000981761795 778156322 /nfs/dbraw/zinc/15/63/22/778156322.db2.gz RSDCWERCMGWNOZ-UHFFFAOYSA-N 1 2 339.439 2.390 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(CCC(N)=O)cc1 ZINC001028129805 778288597 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/nfs/dbraw/zinc/55/71/04/783557104.db2.gz POYPSYRZOKGIJP-INIZCTEOSA-N 1 2 325.416 2.194 20 30 EEEDLO C#Cc1cccc(N(C)C(=O)c2cccn2CC[NH+]2CCOCC2)c1 ZINC000906555701 783991405 /nfs/dbraw/zinc/99/14/05/783991405.db2.gz KRMZITGJNINGBT-UHFFFAOYSA-N 1 2 337.423 2.078 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(NC(=O)CC)c2)C1 ZINC001035392748 784435677 /nfs/dbraw/zinc/43/56/77/784435677.db2.gz VJAZYLNIEMXYSV-KRWDZBQOSA-N 1 2 345.443 2.042 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(NC(=O)CC)c2)C1 ZINC001035392748 784435684 /nfs/dbraw/zinc/43/56/84/784435684.db2.gz VJAZYLNIEMXYSV-KRWDZBQOSA-N 1 2 345.443 2.042 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c(F)ccc3ccncc32)C1 ZINC001035377852 784453476 /nfs/dbraw/zinc/45/34/76/784453476.db2.gz IIYCPEGACUYOIJ-HNNXBMFYSA-N 1 2 343.402 2.381 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c(F)ccc3ccncc32)C1 ZINC001035377852 784453482 /nfs/dbraw/zinc/45/34/82/784453482.db2.gz IIYCPEGACUYOIJ-HNNXBMFYSA-N 1 2 343.402 2.381 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC001035429756 784473677 /nfs/dbraw/zinc/47/36/77/784473677.db2.gz IYEHXMWQCNQYNI-LBPRGKRZSA-N 1 2 333.819 2.438 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC001035429756 784473682 /nfs/dbraw/zinc/47/36/82/784473682.db2.gz IYEHXMWQCNQYNI-LBPRGKRZSA-N 1 2 333.819 2.438 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001035442364 784534878 /nfs/dbraw/zinc/53/48/78/784534878.db2.gz QILJXURGIUQGOZ-OAHLLOKOSA-N 1 2 327.428 2.483 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001035442364 784534882 /nfs/dbraw/zinc/53/48/82/784534882.db2.gz QILJXURGIUQGOZ-OAHLLOKOSA-N 1 2 327.428 2.483 20 30 EEEDLO N#Cc1ccc(C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)o1 ZINC000817189190 784557879 /nfs/dbraw/zinc/55/78/79/784557879.db2.gz RQYKZJCSXGDVLB-UHFFFAOYSA-N 1 2 326.352 2.340 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2C2CCCCC2)C1 ZINC001035571824 784706373 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20 30 EEEDLO C=C(C)CCC(=O)NC1(CNC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001063509580 791185976 /nfs/dbraw/zinc/18/59/76/791185976.db2.gz UUBWXCXLBCXPTF-UHFFFAOYSA-N 1 2 332.448 2.175 20 30 EEEDLO C[C@H](CC(=O)N1CCC[C@@H]1CNc1ncccc1C#N)n1cc[nH+]c1 ZINC001063566772 791335383 /nfs/dbraw/zinc/33/53/83/791335383.db2.gz KJBLOOOZNUNAMK-GDBMZVCRSA-N 1 2 338.415 2.204 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(=O)N1CCCCCC1 ZINC001032560708 791349647 /nfs/dbraw/zinc/34/96/47/791349647.db2.gz PSHJHPOQBUWOST-ULQDDVLXSA-N 1 2 347.503 2.275 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(=O)N1CCCCCC1 ZINC001032560708 791349653 /nfs/dbraw/zinc/34/96/53/791349653.db2.gz PSHJHPOQBUWOST-ULQDDVLXSA-N 1 2 347.503 2.275 20 30 EEEDLO C=CCOCC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(C(C)(C)C)on1)C2 ZINC001147260665 791775890 /nfs/dbraw/zinc/77/58/90/791775890.db2.gz CUBBZPIWGHNPAG-UHFFFAOYSA-N 1 2 347.459 2.209 20 30 EEEDLO C=CCOCC(=O)N1CC2(C1)CC[N@H+](Cc1cc(C(C)(C)C)on1)C2 ZINC001147260665 791775895 /nfs/dbraw/zinc/77/58/95/791775895.db2.gz CUBBZPIWGHNPAG-UHFFFAOYSA-N 1 2 347.459 2.209 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(C)n1CC)C2 ZINC001147630809 791890316 /nfs/dbraw/zinc/89/03/16/791890316.db2.gz GOIWBELGASZEMS-UHFFFAOYSA-N 1 2 345.491 2.243 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1nnc(C)n1CC)C2 ZINC001147630809 791890319 /nfs/dbraw/zinc/89/03/19/791890319.db2.gz GOIWBELGASZEMS-UHFFFAOYSA-N 1 2 345.491 2.243 20 30 EEEDLO C#CCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2cc(C)on2)C3)CCC1 ZINC001147710956 791921158 /nfs/dbraw/zinc/92/11/58/791921158.db2.gz CNUNHGQQFNVKRI-UHFFFAOYSA-N 1 2 327.428 2.211 20 30 EEEDLO C#CCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2cc(C)on2)C3)CCC1 ZINC001147710956 791921162 /nfs/dbraw/zinc/92/11/62/791921162.db2.gz CNUNHGQQFNVKRI-UHFFFAOYSA-N 1 2 327.428 2.211 20 30 EEEDLO Cc1nc(NC[C@@H]2[C@@H](C)CCCN2C(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001063928799 791971629 /nfs/dbraw/zinc/97/16/29/791971629.db2.gz GBLVACULIUCITI-BLLLJJGKSA-N 1 2 338.415 2.338 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncnn1C(C)C)C2 ZINC001148087862 792173308 /nfs/dbraw/zinc/17/33/08/792173308.db2.gz GZUABTIAQPXYJA-JKSUJKDBSA-N 1 2 345.491 2.352 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncnn1C(C)C)C2 ZINC001148087862 792173316 /nfs/dbraw/zinc/17/33/16/792173316.db2.gz GZUABTIAQPXYJA-JKSUJKDBSA-N 1 2 345.491 2.352 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1nn(CC)nc1C)C2 ZINC001148125229 792201300 /nfs/dbraw/zinc/20/13/00/792201300.db2.gz KSNRSRRQKFUBAB-MRXNPFEDSA-N 1 2 345.491 2.243 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1nn(CC)nc1C)C2 ZINC001148125229 792201310 /nfs/dbraw/zinc/20/13/10/792201310.db2.gz KSNRSRRQKFUBAB-MRXNPFEDSA-N 1 2 345.491 2.243 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c(C)nn(C(C)(C)C)c2C)C1 ZINC001107981910 792368374 /nfs/dbraw/zinc/36/83/74/792368374.db2.gz JNHSXDJNJUKINN-IBGZPJMESA-N 1 2 348.491 2.262 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c(C)nn(C(C)(C)C)c2C)C1 ZINC001107981910 792368379 /nfs/dbraw/zinc/36/83/79/792368379.db2.gz JNHSXDJNJUKINN-IBGZPJMESA-N 1 2 348.491 2.262 20 30 EEEDLO Cc1nc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)co1 ZINC001089157699 792900497 /nfs/dbraw/zinc/90/04/97/792900497.db2.gz KIOJMRANMFFESJ-INIZCTEOSA-N 1 2 341.415 2.310 20 30 EEEDLO Cc1nc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)co1 ZINC001089157699 792900506 /nfs/dbraw/zinc/90/05/06/792900506.db2.gz KIOJMRANMFFESJ-INIZCTEOSA-N 1 2 341.415 2.310 20 30 EEEDLO Cc1cnc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)o1 ZINC001089161015 792939715 /nfs/dbraw/zinc/93/97/15/792939715.db2.gz SIANZQLDLYCWSI-HNNXBMFYSA-N 1 2 341.415 2.310 20 30 EEEDLO Cc1cnc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)o1 ZINC001089161015 792939722 /nfs/dbraw/zinc/93/97/22/792939722.db2.gz SIANZQLDLYCWSI-HNNXBMFYSA-N 1 2 341.415 2.310 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@H](C)N(c2[nH+]cnc3c2cnn3C)C1 ZINC001089162582 792959883 /nfs/dbraw/zinc/95/98/83/792959883.db2.gz QWKUHFHCYPPOHD-KBPBESRZSA-N 1 2 342.447 2.193 20 30 EEEDLO Cc1nc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C#N)c(C)c(C)[nH+]1 ZINC001064465978 793177167 /nfs/dbraw/zinc/17/71/67/793177167.db2.gz WIWWXLUOANOHPF-LYRGGWFBSA-N 1 2 327.432 2.131 20 30 EEEDLO C#CC[N@@H+](C[C@H](O)CC#N)[C@H]1CCOc2ccc(Br)cc21 ZINC000929638327 793407545 /nfs/dbraw/zinc/40/75/45/793407545.db2.gz IWPKWFPWJREHLH-HIFRSBDPSA-N 1 2 349.228 2.482 20 30 EEEDLO C#CC[N@H+](C[C@H](O)CC#N)[C@H]1CCOc2ccc(Br)cc21 ZINC000929638327 793407554 /nfs/dbraw/zinc/40/75/54/793407554.db2.gz IWPKWFPWJREHLH-HIFRSBDPSA-N 1 2 349.228 2.482 20 30 EEEDLO C#CCOCCC(=O)N1CCCCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091920047 793408442 /nfs/dbraw/zinc/40/84/42/793408442.db2.gz LSVPZGHGUCHGFY-MRXNPFEDSA-N 1 2 330.432 2.008 20 30 EEEDLO Cc1nc(N2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)c(C)c(C)[nH+]1 ZINC001064683763 793537786 /nfs/dbraw/zinc/53/77/86/793537786.db2.gz SLPLVZZXDQCFEW-ZWKOTPCHSA-N 1 2 338.455 2.242 20 30 EEEDLO C=CCOCC(=O)N1CC[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]21 ZINC001090300197 793601600 /nfs/dbraw/zinc/60/16/00/793601600.db2.gz ILRFUJWXBOLIDE-JKSUJKDBSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1O ZINC001092171387 793635025 /nfs/dbraw/zinc/63/50/25/793635025.db2.gz GHNYZNYRXKYIHN-HOTGVXAUSA-N 1 2 346.475 2.060 20 30 EEEDLO Cc1nsc(N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H](C)C2)c1C#N ZINC001064785674 793729359 /nfs/dbraw/zinc/72/93/59/793729359.db2.gz QMQVDCVUJQBHBP-YPMHNXCESA-N 1 2 344.444 2.011 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC1CC(Nc2[nH+]cnc3c2cnn3C)C1 ZINC001092257407 793767777 /nfs/dbraw/zinc/76/77/77/793767777.db2.gz FUCZHOARZGCWGD-IYXRBSQSSA-N 1 2 342.447 2.272 20 30 EEEDLO CC#CCCCC(=O)N1C[C@H]2CN(c3cc[nH+]c(C)n3)C[C@@]2(C)C1 ZINC001092303752 793780269 /nfs/dbraw/zinc/78/02/69/793780269.db2.gz JVNRAUQKMVMMRX-APWZRJJASA-N 1 2 326.444 2.263 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)C1CCCCCC1)c1nccn12 ZINC001092354054 793827647 /nfs/dbraw/zinc/82/76/47/793827647.db2.gz BKNSCIDBSSNACB-KRWDZBQOSA-N 1 2 340.471 2.449 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)c1csc(C)c1)c1nccn12 ZINC001092401537 793902138 /nfs/dbraw/zinc/90/21/38/793902138.db2.gz BSQSKNLRNFKVSV-HNNXBMFYSA-N 1 2 340.452 2.162 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC(F)(F)C1)c1nccn12 ZINC001092375565 793919020 /nfs/dbraw/zinc/91/90/20/793919020.db2.gz URROZBGIWPECNE-OLZOCXBDSA-N 1 2 336.386 2.076 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ncccc1Cl)c1nccn12 ZINC001092409548 793958594 /nfs/dbraw/zinc/95/85/94/793958594.db2.gz UKRACJRHDYYRHT-ZDUSSCGKSA-N 1 2 343.818 2.003 20 30 EEEDLO C=CCCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccsc2)nn1 ZINC001032675236 794067561 /nfs/dbraw/zinc/06/75/61/794067561.db2.gz NINWCZOUSMHMBU-GJZGRUSLSA-N 1 2 343.456 2.015 20 30 EEEDLO C=CCCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccsc2)nn1 ZINC001032675236 794067564 /nfs/dbraw/zinc/06/75/64/794067564.db2.gz NINWCZOUSMHMBU-GJZGRUSLSA-N 1 2 343.456 2.015 20 30 EEEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)CCCC(C)C)CC2 ZINC001128047744 794071654 /nfs/dbraw/zinc/07/16/54/794071654.db2.gz JFNRRXXSPAJQGV-INIZCTEOSA-N 1 2 345.491 2.038 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)c3cccc4nn[nH]c43)CC[C@@H]21 ZINC001036725406 794638238 /nfs/dbraw/zinc/63/82/38/794638238.db2.gz WXPFEECGAZWUGV-WFASDCNBSA-N 1 2 345.834 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)c3cccc4nn[nH]c43)CC[C@@H]21 ZINC001036725406 794638243 /nfs/dbraw/zinc/63/82/43/794638243.db2.gz WXPFEECGAZWUGV-WFASDCNBSA-N 1 2 345.834 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)c3cccc4nn[nH]c43)CC[C@H]21 ZINC001036725405 794638280 /nfs/dbraw/zinc/63/82/80/794638280.db2.gz WXPFEECGAZWUGV-SWLSCSKDSA-N 1 2 345.834 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)c3cccc4nn[nH]c43)CC[C@H]21 ZINC001036725405 794638286 /nfs/dbraw/zinc/63/82/86/794638286.db2.gz WXPFEECGAZWUGV-SWLSCSKDSA-N 1 2 345.834 2.247 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001093152986 794733171 /nfs/dbraw/zinc/73/31/71/794733171.db2.gz YLVRZPZYGWWKGJ-HNNXBMFYSA-N 1 2 332.448 2.032 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588643 794973732 /nfs/dbraw/zinc/97/37/32/794973732.db2.gz KHDWHBBPQXHGFQ-IAQYHMDHSA-N 1 2 343.818 2.185 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588643 794973739 /nfs/dbraw/zinc/97/37/39/794973739.db2.gz KHDWHBBPQXHGFQ-IAQYHMDHSA-N 1 2 343.818 2.185 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2n[nH]c3c2CCCC3)C1 ZINC001079698127 795116446 /nfs/dbraw/zinc/11/64/46/795116446.db2.gz LDJWNQCVVHNOPM-BDJLRTHQSA-N 1 2 336.867 2.020 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2n[nH]c3c2CCCC3)C1 ZINC001079698127 795116448 /nfs/dbraw/zinc/11/64/48/795116448.db2.gz LDJWNQCVVHNOPM-BDJLRTHQSA-N 1 2 336.867 2.020 20 30 EEEDLO C=CC[NH2+]C1CCC2(CC1)CN(C(=O)C(F)C(F)(F)F)CCO2 ZINC001093398374 795174251 /nfs/dbraw/zinc/17/42/51/795174251.db2.gz RPYPBKHBAJQXKY-LXVYMNJGSA-N 1 2 338.345 2.203 20 30 EEEDLO C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H](F)C(F)(F)F)CCO2 ZINC001093398374 795174255 /nfs/dbraw/zinc/17/42/55/795174255.db2.gz RPYPBKHBAJQXKY-LXVYMNJGSA-N 1 2 338.345 2.203 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC(OC2C[NH+](Cc3ccccc3)C2)CC1 ZINC001093517532 795303858 /nfs/dbraw/zinc/30/38/58/795303858.db2.gz QQQRWMAKIFAFHH-OAHLLOKOSA-N 1 2 327.428 2.038 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)CC2)C1 ZINC001093530438 795317321 /nfs/dbraw/zinc/31/73/21/795317321.db2.gz AHGLGKYYKACKRS-GJZGRUSLSA-N 1 2 328.403 2.156 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3ccncc3s2)C1 ZINC001107998365 795325554 /nfs/dbraw/zinc/32/55/54/795325554.db2.gz JZPUXHDEQCXSAQ-QGZVFWFLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3ccncc3s2)C1 ZINC001107998365 795325560 /nfs/dbraw/zinc/32/55/60/795325560.db2.gz JZPUXHDEQCXSAQ-QGZVFWFLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccc4[nH]ccc4n3)CC2)C1 ZINC001093552246 795372889 /nfs/dbraw/zinc/37/28/89/795372889.db2.gz JQYVBQNOGUHEMS-UHFFFAOYSA-N 1 2 340.427 2.054 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccc(COC)cc3)CC2)C1 ZINC001093596753 795436426 /nfs/dbraw/zinc/43/64/26/795436426.db2.gz ONPKAUDPNAPGSB-UHFFFAOYSA-N 1 2 344.455 2.324 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](CC)CCCCC)C2)nn1 ZINC001098785861 795576037 /nfs/dbraw/zinc/57/60/37/795576037.db2.gz ZIUVLCHIZPDCCP-FUHWJXTLSA-N 1 2 345.491 2.381 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106536666 795782754 /nfs/dbraw/zinc/78/27/54/795782754.db2.gz GNZCKXKUKGNVQJ-OLZOCXBDSA-N 1 2 334.468 2.155 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCC[C@H](C)C3)nn2)C1 ZINC001094313803 796080114 /nfs/dbraw/zinc/08/01/14/796080114.db2.gz DBESUTBZGIVSQX-LSDHHAIUSA-N 1 2 331.464 2.153 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ccccc3C(C)C)nn2)C1 ZINC001094294348 796095691 /nfs/dbraw/zinc/09/56/91/796095691.db2.gz IZICMUFWXKQSSK-UHFFFAOYSA-N 1 2 339.443 2.374 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3ccc(CC)cc3)nn2)C1 ZINC001094336840 796109790 /nfs/dbraw/zinc/10/97/90/796109790.db2.gz SUHFRYGLTIOLIM-UHFFFAOYSA-N 1 2 339.443 2.203 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CCCOC2)C1 ZINC001080683184 796316355 /nfs/dbraw/zinc/31/63/55/796316355.db2.gz LSQVJXAOCPKDHF-UXIGCNINSA-N 1 2 345.281 2.148 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CCCOC2)C1 ZINC001080683184 796316358 /nfs/dbraw/zinc/31/63/58/796316358.db2.gz LSQVJXAOCPKDHF-UXIGCNINSA-N 1 2 345.281 2.148 20 30 EEEDLO Cc1cc(NC2(CNC(=O)CSCC#N)CC2)nc(C(C)C)[nH+]1 ZINC001110076553 806499791 /nfs/dbraw/zinc/49/97/91/806499791.db2.gz FCJPKKYSUAZLOL-UHFFFAOYSA-N 1 2 333.461 2.226 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001080767433 796379372 /nfs/dbraw/zinc/37/93/72/796379372.db2.gz DDVHPZKCHZPIDN-MLGOLLRUSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001080767433 796379374 /nfs/dbraw/zinc/37/93/74/796379374.db2.gz DDVHPZKCHZPIDN-MLGOLLRUSA-N 1 2 345.834 2.070 20 30 EEEDLO C[C@H](C[C@H](C)Nc1cccc(F)c1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001089346990 796380058 /nfs/dbraw/zinc/38/00/58/796380058.db2.gz SVANCPPQZHMYHU-QWHCGFSZSA-N 1 2 329.379 2.289 20 30 EEEDLO C#CCOc1ncccc1C(=O)NC1C[NH+](Cc2ccccc2CC)C1 ZINC001031276361 796631758 /nfs/dbraw/zinc/63/17/58/796631758.db2.gz XVHNCQTZUYNOAH-UHFFFAOYSA-N 1 2 349.434 2.270 20 30 EEEDLO Cc1nnccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000993546975 796798263 /nfs/dbraw/zinc/79/82/63/796798263.db2.gz KSIAYEURVSJXCQ-DNVCBOLYSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1nnccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000993546975 796798267 /nfs/dbraw/zinc/79/82/67/796798267.db2.gz KSIAYEURVSJXCQ-DNVCBOLYSA-N 1 2 349.438 2.440 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2ccc(C)cc2Cl)C1 ZINC001108036478 796799006 /nfs/dbraw/zinc/79/90/06/796799006.db2.gz SQTPHOKOQMODQK-IBGZPJMESA-N 1 2 348.874 2.421 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2ccc(C)cc2Cl)C1 ZINC001108036478 796799009 /nfs/dbraw/zinc/79/90/09/796799009.db2.gz SQTPHOKOQMODQK-IBGZPJMESA-N 1 2 348.874 2.421 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnn(CCF)c2)[C@H]1C ZINC000993514442 796801799 /nfs/dbraw/zinc/80/17/99/796801799.db2.gz ICXIQAFJIDSZGU-OCCSQVGLSA-N 1 2 328.819 2.188 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnn(CCF)c2)[C@H]1C ZINC000993514442 796801803 /nfs/dbraw/zinc/80/18/03/796801803.db2.gz ICXIQAFJIDSZGU-OCCSQVGLSA-N 1 2 328.819 2.188 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2csnn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993630603 796885476 /nfs/dbraw/zinc/88/54/76/796885476.db2.gz HYBHGPHEJMCQNU-IUODEOHRSA-N 1 2 341.440 2.193 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2csnn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993630603 796885481 /nfs/dbraw/zinc/88/54/81/796885481.db2.gz HYBHGPHEJMCQNU-IUODEOHRSA-N 1 2 341.440 2.193 20 30 EEEDLO COC(=O)[C@H]1C[C@H]([N@H+](C)CCC#N)C[C@H]1C(=O)OCc1ccccc1 ZINC001172264882 796932608 /nfs/dbraw/zinc/93/26/08/796932608.db2.gz JNWWGHFBFSPVIE-YESZJQIVSA-N 1 2 344.411 2.143 20 30 EEEDLO COC(=O)[C@H]1C[C@H]([N@@H+](C)CCC#N)C[C@H]1C(=O)OCc1ccccc1 ZINC001172264882 796932614 /nfs/dbraw/zinc/93/26/14/796932614.db2.gz JNWWGHFBFSPVIE-YESZJQIVSA-N 1 2 344.411 2.143 20 30 EEEDLO C=CCOC[C@H]1C[N@@H+]([C@H]2COC(C)(C)C2)Cc2nnn(CC3CC3)c21 ZINC001172285611 796959466 /nfs/dbraw/zinc/95/94/66/796959466.db2.gz RPHOSHMTBCOVFY-HZPDHXFCSA-N 1 2 346.475 2.357 20 30 EEEDLO C=CCOC[C@H]1C[N@H+]([C@H]2COC(C)(C)C2)Cc2nnn(CC3CC3)c21 ZINC001172285611 796959470 /nfs/dbraw/zinc/95/94/70/796959470.db2.gz RPHOSHMTBCOVFY-HZPDHXFCSA-N 1 2 346.475 2.357 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC3CCCC3)[C@@H]2C)C1 ZINC000993783043 797019378 /nfs/dbraw/zinc/01/93/78/797019378.db2.gz AOXCHDGUTJXDGF-WBVHZDCISA-N 1 2 347.503 2.371 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC3CCCC3)[C@@H]2C)C1 ZINC000993783043 797019387 /nfs/dbraw/zinc/01/93/87/797019387.db2.gz AOXCHDGUTJXDGF-WBVHZDCISA-N 1 2 347.503 2.371 20 30 EEEDLO COc1ccc(CN2CC[C@@H]([N@@H+]3CCC[C@H]3C#N)CC2=O)c(OC)c1 ZINC001173026924 797200737 /nfs/dbraw/zinc/20/07/37/797200737.db2.gz KVZTYSWQXLRYSH-CVEARBPZSA-N 1 2 343.427 2.183 20 30 EEEDLO COc1ccc(CN2CC[C@@H]([N@H+]3CCC[C@H]3C#N)CC2=O)c(OC)c1 ZINC001173026924 797200740 /nfs/dbraw/zinc/20/07/40/797200740.db2.gz KVZTYSWQXLRYSH-CVEARBPZSA-N 1 2 343.427 2.183 20 30 EEEDLO N#Cc1ccc(NCCCCCCNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001095001089 797212630 /nfs/dbraw/zinc/21/26/30/797212630.db2.gz DFQVPWAQTQVDNB-UHFFFAOYSA-N 1 2 326.404 2.008 20 30 EEEDLO C=C(C)CCC(=O)N1CCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001082110580 797214310 /nfs/dbraw/zinc/21/43/10/797214310.db2.gz YMYOBHGEGINXII-INIZCTEOSA-N 1 2 346.475 2.206 20 30 EEEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001082112204 797216547 /nfs/dbraw/zinc/21/65/47/797216547.db2.gz UJVWNBDTBPLZIA-BASLNEPJSA-N 1 2 347.484 2.371 20 30 EEEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001082112204 797216549 /nfs/dbraw/zinc/21/65/49/797216549.db2.gz UJVWNBDTBPLZIA-BASLNEPJSA-N 1 2 347.484 2.371 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001082131832 797221847 /nfs/dbraw/zinc/22/18/47/797221847.db2.gz BKINPNMPWMKNSY-INIZCTEOSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001082131832 797221854 /nfs/dbraw/zinc/22/18/54/797221854.db2.gz BKINPNMPWMKNSY-INIZCTEOSA-N 1 2 346.475 2.442 20 30 EEEDLO C#CCCCCCC(=O)N1CCCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001082209004 797313330 /nfs/dbraw/zinc/31/33/30/797313330.db2.gz OMJJYEOKNUXNLG-KRWDZBQOSA-N 1 2 344.459 2.033 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001082236833 797337370 /nfs/dbraw/zinc/33/73/70/797337370.db2.gz DNZLEQZDKBYDQC-RDJZCZTQSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001082236833 797337378 /nfs/dbraw/zinc/33/73/78/797337378.db2.gz DNZLEQZDKBYDQC-RDJZCZTQSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001095121995 797392532 /nfs/dbraw/zinc/39/25/32/797392532.db2.gz AIKJWWUGEAUMRF-HOCLYGCPSA-N 1 2 332.448 2.030 20 30 EEEDLO Cn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095183809 797494696 /nfs/dbraw/zinc/49/46/96/797494696.db2.gz SEKTWAGOASJGKL-SQNIBIBYSA-N 1 2 334.423 2.432 20 30 EEEDLO Cn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095183809 797494698 /nfs/dbraw/zinc/49/46/98/797494698.db2.gz SEKTWAGOASJGKL-SQNIBIBYSA-N 1 2 334.423 2.432 20 30 EEEDLO CC[C@@]1(C(=O)OC)C[C@H]([NH2+][C@@H](C)CC#N)CN1C(=O)OC(C)(C)C ZINC001173526882 797515424 /nfs/dbraw/zinc/51/54/24/797515424.db2.gz ZKWGTEBAYGAYNF-DCGLDWPTSA-N 1 2 339.436 2.209 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCC1(C)C)C2 ZINC001110175179 797921197 /nfs/dbraw/zinc/92/11/97/797921197.db2.gz QFFPWMPURKPNKH-QZWWFDLISA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCC1(C)C)C2 ZINC001110175179 797921202 /nfs/dbraw/zinc/92/12/02/797921202.db2.gz QFFPWMPURKPNKH-QZWWFDLISA-N 1 2 347.503 2.227 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)C[C@@H]2CCCO2)CC1 ZINC001002383060 797998971 /nfs/dbraw/zinc/99/89/71/797998971.db2.gz ADSTYLGCRMPCJM-ZDUSSCGKSA-N 1 2 331.254 2.045 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001110183393 798041724 /nfs/dbraw/zinc/04/17/24/798041724.db2.gz SYIDHKDAJFKBQA-IEAZIUSSSA-N 1 2 333.407 2.033 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001110183393 798041731 /nfs/dbraw/zinc/04/17/31/798041731.db2.gz SYIDHKDAJFKBQA-IEAZIUSSSA-N 1 2 333.407 2.033 20 30 EEEDLO CS[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084204906 798057806 /nfs/dbraw/zinc/05/78/06/798057806.db2.gz IFIZORZEINIOGQ-YWPYICTPSA-N 1 2 335.498 2.404 20 30 EEEDLO CS[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084204906 798057814 /nfs/dbraw/zinc/05/78/14/798057814.db2.gz IFIZORZEINIOGQ-YWPYICTPSA-N 1 2 335.498 2.404 20 30 EEEDLO CC/C(C)=C/C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001212223839 798091920 /nfs/dbraw/zinc/09/19/20/798091920.db2.gz VLEIGKDWSCDMLP-HCEMZMHWSA-N 1 2 345.418 2.369 20 30 EEEDLO CC/C(C)=C/C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001212223839 798091925 /nfs/dbraw/zinc/09/19/25/798091925.db2.gz VLEIGKDWSCDMLP-HCEMZMHWSA-N 1 2 345.418 2.369 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC4(F)F)[C@@H]3C2)c(F)c1 ZINC001084329373 798151478 /nfs/dbraw/zinc/15/14/78/798151478.db2.gz WNUAQYCYPXNOHW-IJEWVQPXSA-N 1 2 349.356 2.385 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC4(F)F)[C@@H]3C2)c(F)c1 ZINC001084329373 798151483 /nfs/dbraw/zinc/15/14/83/798151483.db2.gz WNUAQYCYPXNOHW-IJEWVQPXSA-N 1 2 349.356 2.385 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccsn3)[C@@H]2C1 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326.425 2.328 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Oc3cccnc3)[C@@H]2C1 ZINC001084650275 798339915 /nfs/dbraw/zinc/33/99/15/798339915.db2.gz XLQZJYXMQMGNLZ-IIAWOOMASA-N 1 2 335.835 2.134 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Oc3cccnc3)[C@@H]2C1 ZINC001084650275 798339921 /nfs/dbraw/zinc/33/99/21/798339921.db2.gz XLQZJYXMQMGNLZ-IIAWOOMASA-N 1 2 335.835 2.134 20 30 EEEDLO Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)s1 ZINC001002647826 798382309 /nfs/dbraw/zinc/38/23/09/798382309.db2.gz GXMZBHDMFAZNTC-SNVBAGLBSA-N 1 2 344.444 2.002 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3nonc3C)[C@H]2C1 ZINC001085024015 798617216 /nfs/dbraw/zinc/61/72/16/798617216.db2.gz NUZXMSWJUOYIQD-HFTRVMKXSA-N 1 2 332.448 2.403 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nonc3C)[C@H]2C1 ZINC001085024015 798617219 /nfs/dbraw/zinc/61/72/19/798617219.db2.gz NUZXMSWJUOYIQD-HFTRVMKXSA-N 1 2 332.448 2.403 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C\C(C)(C)C)C[C@H]21 ZINC001176963605 798660418 /nfs/dbraw/zinc/66/04/18/798660418.db2.gz YCSXVAWUJXRXQA-QXUXXFOKSA-N 1 2 336.476 2.093 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C\C(C)(C)C)C[C@H]21 ZINC001176963605 798660420 /nfs/dbraw/zinc/66/04/20/798660420.db2.gz YCSXVAWUJXRXQA-QXUXXFOKSA-N 1 2 336.476 2.093 20 30 EEEDLO Cc1ccccc1C[N@H+]1CCO[C@@H]2CCN(C(=O)C#CC(C)C)C[C@H]21 ZINC001177018260 798697701 /nfs/dbraw/zinc/69/77/01/798697701.db2.gz CBLOFWRCUYHETM-WOJBJXKFSA-N 1 2 340.467 2.456 20 30 EEEDLO Cc1ccccc1C[N@@H+]1CCO[C@@H]2CCN(C(=O)C#CC(C)C)C[C@H]21 ZINC001177018260 798697705 /nfs/dbraw/zinc/69/77/05/798697705.db2.gz CBLOFWRCUYHETM-WOJBJXKFSA-N 1 2 340.467 2.456 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCCCC)C[C@@H]21 ZINC001177143571 798770048 /nfs/dbraw/zinc/77/00/48/798770048.db2.gz GATJRBXYCPGOCE-ROUUACIJSA-N 1 2 338.492 2.461 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCCCC)C[C@@H]21 ZINC001177143571 798770052 /nfs/dbraw/zinc/77/00/52/798770052.db2.gz GATJRBXYCPGOCE-ROUUACIJSA-N 1 2 338.492 2.461 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C[C@H](OCC)C(=C)C)c2C1 ZINC001128376892 799115328 /nfs/dbraw/zinc/11/53/28/799115328.db2.gz PKUFNVLTUVAYOB-SFHVURJKSA-N 1 2 346.475 2.262 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C[C@H](OCC)C(=C)C)c2C1 ZINC001128376892 799115333 /nfs/dbraw/zinc/11/53/33/799115333.db2.gz PKUFNVLTUVAYOB-SFHVURJKSA-N 1 2 346.475 2.262 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C(C)(C)C(C)C)C2)CC1 ZINC001065705448 799353854 /nfs/dbraw/zinc/35/38/54/799353854.db2.gz ZNEXPWARKYNSSO-QGZVFWFLSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)/C(C)=C\CC)CC2)C1 ZINC001065708903 799402185 /nfs/dbraw/zinc/40/21/85/799402185.db2.gz MCGMGRJJVZXTER-KZRVJCNKSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)/C(C)=C\CC)CC2)C1 ZINC001065711251 799407456 /nfs/dbraw/zinc/40/74/56/799407456.db2.gz KMKRKFICOFOMEY-QGEBHBTGSA-N 1 2 347.503 2.444 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC3CC3)CC2)C1 ZINC001065711992 799410000 /nfs/dbraw/zinc/41/00/00/799410000.db2.gz SMXAAYGWEWSKMX-WMZOPIPTSA-N 1 2 347.503 2.134 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]([NH2+]Cc2nc(CC(C)C)no2)[C@@H]1C ZINC001178577264 799541474 /nfs/dbraw/zinc/54/14/74/799541474.db2.gz VILRFGNMINNVAV-GJZGRUSLSA-N 1 2 332.448 2.151 20 30 EEEDLO N#Cc1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1O ZINC001178993312 799735578 /nfs/dbraw/zinc/73/55/78/799735578.db2.gz HRFUVQXOYCZTAG-GOSISDBHSA-N 1 2 337.379 2.103 20 30 EEEDLO N#Cc1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1O ZINC001178993312 799735581 /nfs/dbraw/zinc/73/55/81/799735581.db2.gz HRFUVQXOYCZTAG-GOSISDBHSA-N 1 2 337.379 2.103 20 30 EEEDLO COCCC1(NC(C)=O)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001150854188 799810848 /nfs/dbraw/zinc/81/08/48/799810848.db2.gz DPDCSNLTTANOJK-UHFFFAOYSA-N 1 2 333.407 2.205 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](CC(=C)Br)CC1 ZINC001003650125 799942474 /nfs/dbraw/zinc/94/24/74/799942474.db2.gz QKUDMJQYUIJYFY-KGLIPLIRSA-N 1 2 343.265 2.067 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001066183908 800157175 /nfs/dbraw/zinc/15/71/75/800157175.db2.gz FRICLVXFOJDMGB-OAHLLOKOSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001066183908 800157179 /nfs/dbraw/zinc/15/71/79/800157179.db2.gz FRICLVXFOJDMGB-OAHLLOKOSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)sc2C)C[C@@H]1O ZINC001099957387 800306551 /nfs/dbraw/zinc/30/65/51/800306551.db2.gz PVFZSFPIAVXSOZ-HIFRSBDPSA-N 1 2 337.489 2.024 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2nc(C)sc2C)C[C@@H]1O ZINC001099957387 800306553 /nfs/dbraw/zinc/30/65/53/800306553.db2.gz PVFZSFPIAVXSOZ-HIFRSBDPSA-N 1 2 337.489 2.024 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(C3CC3)no2)[C@@H]1C ZINC001180265430 800340351 /nfs/dbraw/zinc/34/03/51/800340351.db2.gz YFNNOHRBTYDAPR-IPYPFGDCSA-N 1 2 348.447 2.180 20 30 EEEDLO CCc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)n[nH]1 ZINC001032915518 800381396 /nfs/dbraw/zinc/38/13/96/800381396.db2.gz DBDLLNILOZTRAJ-KRWDZBQOSA-N 1 2 337.427 2.190 20 30 EEEDLO CCc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)n[nH]1 ZINC001032915518 800381403 /nfs/dbraw/zinc/38/14/03/800381403.db2.gz DBDLLNILOZTRAJ-KRWDZBQOSA-N 1 2 337.427 2.190 20 30 EEEDLO Cc1conc1C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001003915378 800511369 /nfs/dbraw/zinc/51/13/69/800511369.db2.gz ZAJWGBGRAMCQPE-UHFFFAOYSA-N 1 2 342.374 2.388 20 30 EEEDLO C=CCCC(=O)NC1(CCOC)CC[NH+](Cc2ncc(C)o2)CC1 ZINC001151007354 800660716 /nfs/dbraw/zinc/66/07/16/800660716.db2.gz KFBRYVVCIJIGAN-UHFFFAOYSA-N 1 2 335.448 2.437 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)C1=COCCC1 ZINC001085510483 800665672 /nfs/dbraw/zinc/66/56/72/800665672.db2.gz WCDOUSIHEJYWBI-QGZVFWFLSA-N 1 2 343.402 2.424 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)C1=COCCC1 ZINC001085510483 800665677 /nfs/dbraw/zinc/66/56/77/800665677.db2.gz WCDOUSIHEJYWBI-QGZVFWFLSA-N 1 2 343.402 2.424 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@H]1CCCOC1 ZINC001085515009 800681898 /nfs/dbraw/zinc/68/18/98/800681898.db2.gz RXXWKRKQXZRCRW-PKOBYXMFSA-N 1 2 344.430 2.137 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@H]1CCCOC1 ZINC001085515009 800681899 /nfs/dbraw/zinc/68/18/99/800681899.db2.gz RXXWKRKQXZRCRW-PKOBYXMFSA-N 1 2 344.430 2.137 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1CCCOC1 ZINC001085515003 800682072 /nfs/dbraw/zinc/68/20/72/800682072.db2.gz RXOWQKQZNNBHEI-QZTJIDSGSA-N 1 2 327.428 2.018 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1CCCOC1 ZINC001085515003 800682075 /nfs/dbraw/zinc/68/20/75/800682075.db2.gz RXOWQKQZNNBHEI-QZTJIDSGSA-N 1 2 327.428 2.018 20 30 EEEDLO Cc1cn(C)nc1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085593028 800846355 /nfs/dbraw/zinc/84/63/55/800846355.db2.gz ZIKNGVGRKYEXFD-CYBMUJFWSA-N 1 2 343.456 2.008 20 30 EEEDLO Cc1cn(C)nc1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085593028 800846360 /nfs/dbraw/zinc/84/63/60/800846360.db2.gz ZIKNGVGRKYEXFD-CYBMUJFWSA-N 1 2 343.456 2.008 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)sc1C ZINC001033022431 800858233 /nfs/dbraw/zinc/85/82/33/800858233.db2.gz NPHPOCBNCSVHNT-CQSZACIVSA-N 1 2 343.456 2.306 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)sc1C ZINC001033022431 800858239 /nfs/dbraw/zinc/85/82/39/800858239.db2.gz NPHPOCBNCSVHNT-CQSZACIVSA-N 1 2 343.456 2.306 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cncs1 ZINC001085641563 800955815 /nfs/dbraw/zinc/95/58/15/800955815.db2.gz QCFIMYLYLUGNRM-AWEZNQCLSA-N 1 2 330.457 2.477 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cncs1 ZINC001085641563 800955821 /nfs/dbraw/zinc/95/58/21/800955821.db2.gz QCFIMYLYLUGNRM-AWEZNQCLSA-N 1 2 330.457 2.477 20 30 EEEDLO Cc1nnccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085699076 801074954 /nfs/dbraw/zinc/07/49/54/801074954.db2.gz FLQXHXWXSRNWTR-ZDUSSCGKSA-N 1 2 341.440 2.065 20 30 EEEDLO Cc1nnccc1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085699076 801074960 /nfs/dbraw/zinc/07/49/60/801074960.db2.gz FLQXHXWXSRNWTR-ZDUSSCGKSA-N 1 2 341.440 2.065 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncsc1C(F)(F)F ZINC001085717896 801115803 /nfs/dbraw/zinc/11/58/03/801115803.db2.gz AHBIVPLEWJHYMX-SNVBAGLBSA-N 1 2 331.363 2.332 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ncsc1C(F)(F)F ZINC001085717896 801115808 /nfs/dbraw/zinc/11/58/08/801115808.db2.gz AHBIVPLEWJHYMX-SNVBAGLBSA-N 1 2 331.363 2.332 20 30 EEEDLO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)n[nH]c1C(F)(F)F ZINC001085726074 801127268 /nfs/dbraw/zinc/12/72/68/801127268.db2.gz OIJNLDIHPIMDPT-NSHDSACASA-N 1 2 330.354 2.459 20 30 EEEDLO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)n[nH]c1C(F)(F)F ZINC001085726074 801127272 /nfs/dbraw/zinc/12/72/72/801127272.db2.gz OIJNLDIHPIMDPT-NSHDSACASA-N 1 2 330.354 2.459 20 30 EEEDLO C[C@H](CCCCNc1ncccc1C#N)NC(=O)Cc1c[nH+]cn1C ZINC001090099361 801583743 /nfs/dbraw/zinc/58/37/43/801583743.db2.gz HPKDAHCHQKLQKR-CQSZACIVSA-N 1 2 340.431 2.016 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CN(C)C(=O)[C@H]2CC[C@H](C)CC2)C1=O ZINC001085935519 801696996 /nfs/dbraw/zinc/69/69/96/801696996.db2.gz HKHZIFXRCKATRX-XSLAGTTESA-N 1 2 347.503 2.132 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CN(C)C(=O)[C@H]2CC[C@H](C)CC2)C1=O ZINC001085935519 801697004 /nfs/dbraw/zinc/69/70/04/801697004.db2.gz HKHZIFXRCKATRX-XSLAGTTESA-N 1 2 347.503 2.132 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)nc1 ZINC001061476670 801702395 /nfs/dbraw/zinc/70/23/95/801702395.db2.gz ADSSAAMQRHXZGI-HNNXBMFYSA-N 1 2 346.394 2.228 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001066347515 801738759 /nfs/dbraw/zinc/73/87/59/801738759.db2.gz BBSGUHMKJQPJPZ-MRXNPFEDSA-N 1 2 346.475 2.373 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001066347632 801742554 /nfs/dbraw/zinc/74/25/54/801742554.db2.gz DKMJPQWWPTZSMH-IRXDYDNUSA-N 1 2 346.475 2.373 20 30 EEEDLO CN(CC1(C)COC1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183832447 801762408 /nfs/dbraw/zinc/76/24/08/801762408.db2.gz VKARGORORGHCRU-SFHVURJKSA-N 1 2 341.455 2.408 20 30 EEEDLO CN(CC1(C)COC1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183832447 801762411 /nfs/dbraw/zinc/76/24/11/801762411.db2.gz VKARGORORGHCRU-SFHVURJKSA-N 1 2 341.455 2.408 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001066376613 802079592 /nfs/dbraw/zinc/07/95/92/802079592.db2.gz JXJUJUWHDIIGCM-OAHLLOKOSA-N 1 2 346.475 2.062 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2ccccc2C)C1 ZINC001108241237 802081943 /nfs/dbraw/zinc/08/19/43/802081943.db2.gz XCXUMURQDDMXEP-HXUWFJFHSA-N 1 2 328.456 2.158 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCc2ccccc2C)C1 ZINC001108241237 802081950 /nfs/dbraw/zinc/08/19/50/802081950.db2.gz XCXUMURQDDMXEP-HXUWFJFHSA-N 1 2 328.456 2.158 20 30 EEEDLO Cc1ccncc1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004455929 802114587 /nfs/dbraw/zinc/11/45/87/802114587.db2.gz CCBVPLJMPRULEB-GOSISDBHSA-N 1 2 326.444 2.159 20 30 EEEDLO Cc1ccncc1CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004455929 802114590 /nfs/dbraw/zinc/11/45/90/802114590.db2.gz CCBVPLJMPRULEB-GOSISDBHSA-N 1 2 326.444 2.159 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccc(F)c2Cl)C1 ZINC001108242959 802156397 /nfs/dbraw/zinc/15/63/97/802156397.db2.gz OTMPQXNKDBOFSP-INIZCTEOSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccc(F)c2Cl)C1 ZINC001108242959 802156405 /nfs/dbraw/zinc/15/64/05/802156405.db2.gz OTMPQXNKDBOFSP-INIZCTEOSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn3c2cccc3OC)C1 ZINC001033123577 802183747 /nfs/dbraw/zinc/18/37/47/802183747.db2.gz QMDJWOUVNIYXNI-CYBMUJFWSA-N 1 2 348.834 2.242 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn3c2cccc3OC)C1 ZINC001033123577 802183750 /nfs/dbraw/zinc/18/37/50/802183750.db2.gz QMDJWOUVNIYXNI-CYBMUJFWSA-N 1 2 348.834 2.242 20 30 EEEDLO C[C@H](CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)c1cnn(C)c1 ZINC001004492846 802210785 /nfs/dbraw/zinc/21/07/85/802210785.db2.gz JTMFZVNKOIRBQQ-CRAIPNDOSA-N 1 2 343.475 2.140 20 30 EEEDLO C[C@H](CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)c1cnn(C)c1 ZINC001004492846 802210786 /nfs/dbraw/zinc/21/07/86/802210786.db2.gz JTMFZVNKOIRBQQ-CRAIPNDOSA-N 1 2 343.475 2.140 20 30 EEEDLO Cc1cc(C)n(CCC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004503030 802258367 /nfs/dbraw/zinc/25/83/67/802258367.db2.gz WSDWOYANCLFHQC-SFHVURJKSA-N 1 2 343.475 2.117 20 30 EEEDLO Cc1cc(C)n(CCC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004503030 802258374 /nfs/dbraw/zinc/25/83/74/802258374.db2.gz WSDWOYANCLFHQC-SFHVURJKSA-N 1 2 343.475 2.117 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccnc(C3CC3)n2)CC1 ZINC001004567639 802385234 /nfs/dbraw/zinc/38/52/34/802385234.db2.gz JWITZJRLWZWIIT-KRWDZBQOSA-N 1 2 339.443 2.194 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccnc(C3CC3)n2)CC1 ZINC001004567639 802385240 /nfs/dbraw/zinc/38/52/40/802385240.db2.gz JWITZJRLWZWIIT-KRWDZBQOSA-N 1 2 339.443 2.194 20 30 EEEDLO COCc1ncsc1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004579642 802412317 /nfs/dbraw/zinc/41/23/17/802412317.db2.gz PBUDDMSWRBCTOU-OAHLLOKOSA-N 1 2 348.472 2.130 20 30 EEEDLO COCc1ncsc1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004579642 802412322 /nfs/dbraw/zinc/41/23/22/802412322.db2.gz PBUDDMSWRBCTOU-OAHLLOKOSA-N 1 2 348.472 2.130 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2Cc3cccnc3C2)CC1 ZINC001004599541 802458043 /nfs/dbraw/zinc/45/80/43/802458043.db2.gz HZJGFQFXKNUBLM-PKOBYXMFSA-N 1 2 338.455 2.023 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2Cc3cccnc3C2)CC1 ZINC001004599541 802458047 /nfs/dbraw/zinc/45/80/47/802458047.db2.gz HZJGFQFXKNUBLM-PKOBYXMFSA-N 1 2 338.455 2.023 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)c2ccccc2F)C1 ZINC001108284937 803168545 /nfs/dbraw/zinc/16/85/45/803168545.db2.gz GMUYTACSVAPZMK-BEFAXECRSA-N 1 2 332.419 2.160 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)c2ccccc2F)C1 ZINC001108284937 803168550 /nfs/dbraw/zinc/16/85/50/803168550.db2.gz GMUYTACSVAPZMK-BEFAXECRSA-N 1 2 332.419 2.160 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@]2(c3ccccc3)CCCO2)C1 ZINC001108366455 803373133 /nfs/dbraw/zinc/37/31/33/803373133.db2.gz TYVUBWGIOJUDTQ-WOJBJXKFSA-N 1 2 344.455 2.085 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@]2(c3ccccc3)CCCO2)C1 ZINC001108366455 803373137 /nfs/dbraw/zinc/37/31/37/803373137.db2.gz TYVUBWGIOJUDTQ-WOJBJXKFSA-N 1 2 344.455 2.085 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(OC)c(OCC)c2)C1 ZINC001108386235 803432389 /nfs/dbraw/zinc/43/23/89/803432389.db2.gz ZOYKLYLCOHWKOY-IBGZPJMESA-N 1 2 348.443 2.101 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(OC)c(OCC)c2)C1 ZINC001108386235 803432391 /nfs/dbraw/zinc/43/23/91/803432391.db2.gz ZOYKLYLCOHWKOY-IBGZPJMESA-N 1 2 348.443 2.101 20 30 EEEDLO CN(C(=O)C(F)F)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001005011452 803455032 /nfs/dbraw/zinc/45/50/32/803455032.db2.gz KPOACBULFPCPSM-UHFFFAOYSA-N 1 2 325.334 2.385 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c(C)nn(C)c2Cl)C1 ZINC001033236606 803457035 /nfs/dbraw/zinc/45/70/35/803457035.db2.gz GLVSDUDZIFWXBK-GFCCVEGCSA-N 1 2 345.274 2.210 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c(C)nn(C)c2Cl)C1 ZINC001033236606 803457039 /nfs/dbraw/zinc/45/70/39/803457039.db2.gz GLVSDUDZIFWXBK-GFCCVEGCSA-N 1 2 345.274 2.210 20 30 EEEDLO N#Cc1ccccc1C[NH2+]CCCNC(=O)c1cccc2nc[nH]c21 ZINC001168999861 803565420 /nfs/dbraw/zinc/56/54/20/803565420.db2.gz ZRZCQLLTTWRVLJ-UHFFFAOYSA-N 1 2 333.395 2.344 20 30 EEEDLO C[C@@H](CNc1ccc(C#N)cn1)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001108501062 803826385 /nfs/dbraw/zinc/82/63/85/803826385.db2.gz QINGZCWQJSHUQZ-AWEZNQCLSA-N 1 2 346.394 2.369 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CCCCC(C)(C)C)CC2=O)C1 ZINC001108548443 804034278 /nfs/dbraw/zinc/03/42/78/804034278.db2.gz OCLGFWUPYDDKPZ-OAHLLOKOSA-N 1 2 335.492 2.180 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@@H](CCC)C(C)C)CC2=O)C1 ZINC001108575109 804150164 /nfs/dbraw/zinc/15/01/64/804150164.db2.gz GWLNMHARFLAULT-WBVHZDCISA-N 1 2 335.492 2.036 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C[C@H](C)CC(C)(C)C)CC2=O)C1 ZINC001108577865 804160117 /nfs/dbraw/zinc/16/01/17/804160117.db2.gz RCJMTGIGRVIXIJ-JKSUJKDBSA-N 1 2 349.519 2.426 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H](C)CC3CCCCC3)CC2=O)C1 ZINC001108580645 804189777 /nfs/dbraw/zinc/18/97/77/804189777.db2.gz QDYHYZPCTGUBKW-WBVHZDCISA-N 1 2 347.503 2.180 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C[C@@H](CC)C(C)C)CC2=O)C1 ZINC001108587451 804218923 /nfs/dbraw/zinc/21/89/23/804218923.db2.gz ODWUFQZHRXQQRC-HZPDHXFCSA-N 1 2 335.492 2.036 20 30 EEEDLO Cc1cc(N(C)C[C@H](C)NC(=O)c2cc(C#N)c[nH]2)nc(C(C)C)[nH+]1 ZINC001108911876 804682934 /nfs/dbraw/zinc/68/29/34/804682934.db2.gz TZEIQNYDCRPGMH-ZDUSSCGKSA-N 1 2 340.431 2.363 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC2CC2)C3)cc1F ZINC001109251996 805195196 /nfs/dbraw/zinc/19/51/96/805195196.db2.gz UZRGNCQFCAQMCK-NEWSRXKRSA-N 1 2 337.398 2.332 20 30 EEEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC2CC2)C3)cc1F ZINC001109251996 805195201 /nfs/dbraw/zinc/19/52/01/805195201.db2.gz UZRGNCQFCAQMCK-NEWSRXKRSA-N 1 2 337.398 2.332 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(CC)CC ZINC001109354931 805343006 /nfs/dbraw/zinc/34/30/06/805343006.db2.gz CJOKAALXPTZNFB-IKGGRYGDSA-N 1 2 335.492 2.369 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(CC)CC ZINC001109354931 805343016 /nfs/dbraw/zinc/34/30/16/805343016.db2.gz CJOKAALXPTZNFB-IKGGRYGDSA-N 1 2 335.492 2.369 20 30 EEEDLO Cc1cc(NCCCN(C)C(=O)c2ccc(C#N)[nH]2)nc(C2CC2)[nH+]1 ZINC001109410367 805421504 /nfs/dbraw/zinc/42/15/04/805421504.db2.gz YSYUDOONBVQAAF-UHFFFAOYSA-N 1 2 338.415 2.436 20 30 EEEDLO C#CCOCCC(=O)N1CC[NH+](Cc2cccc(OCCC)c2)CC1 ZINC001112844154 807417669 /nfs/dbraw/zinc/41/76/69/807417669.db2.gz YRZHLQWLROBRDS-UHFFFAOYSA-N 1 2 344.455 2.160 20 30 EEEDLO C=CCC(C)(C)C(=O)NC1CC(CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001112871900 807517625 /nfs/dbraw/zinc/51/76/25/807517625.db2.gz RMULKIVCLFBGDI-UHFFFAOYSA-N 1 2 346.479 2.155 20 30 EEEDLO Cc1cc(N[C@H](C)[C@@H](C)NC(=O)CSCC#N)nc(C(C)C)[nH+]1 ZINC001112912261 807597191 /nfs/dbraw/zinc/59/71/91/807597191.db2.gz YALGLYWGWZAGNE-CHWSQXEVSA-N 1 2 335.477 2.470 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2=COCCO2)C1 ZINC001086572178 807922553 /nfs/dbraw/zinc/92/25/53/807922553.db2.gz KMFVGNPJAIXYDR-JKSUJKDBSA-N 1 2 348.830 2.211 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2=COCCO2)C1 ZINC001086572178 807922559 /nfs/dbraw/zinc/92/25/59/807922559.db2.gz KMFVGNPJAIXYDR-JKSUJKDBSA-N 1 2 348.830 2.211 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H](C)[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001113174048 808332638 /nfs/dbraw/zinc/33/26/38/808332638.db2.gz XJPDMAFBUFZCAR-CHWSQXEVSA-N 1 2 342.447 2.437 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2c2ccccc2)c1 ZINC001086581660 808332899 /nfs/dbraw/zinc/33/28/99/808332899.db2.gz HXOAKTIYEIBAOQ-DOTOQJQBSA-N 1 2 326.375 2.054 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2c2ccccc2)c1 ZINC001086581660 808332906 /nfs/dbraw/zinc/33/29/06/808332906.db2.gz HXOAKTIYEIBAOQ-DOTOQJQBSA-N 1 2 326.375 2.054 20 30 EEEDLO CN(CC(C)(C)CNc1ccc(C#N)nc1)C(=O)CCc1c[nH]c[nH+]1 ZINC001113466095 809039520 /nfs/dbraw/zinc/03/95/20/809039520.db2.gz AZWWOEOBQOAKGK-UHFFFAOYSA-N 1 2 340.431 2.206 20 30 EEEDLO CN(CC(C)(C)CNc1ccc(C#N)nc1)C(=O)CCc1c[nH+]c[nH]1 ZINC001113466095 809039528 /nfs/dbraw/zinc/03/95/28/809039528.db2.gz AZWWOEOBQOAKGK-UHFFFAOYSA-N 1 2 340.431 2.206 20 30 EEEDLO C=CCCOCC(=O)N1CC[NH+](Cc2cccc(OC)c2C)CC1 ZINC001113708877 809611618 /nfs/dbraw/zinc/61/16/18/809611618.db2.gz BCMMHQBCXOMHFQ-UHFFFAOYSA-N 1 2 332.444 2.241 20 30 EEEDLO C=CCCC1(C(=O)NC[C@H](C)N(C)c2[nH+]cnc3c2cnn3C)CC1 ZINC001113851233 809956432 /nfs/dbraw/zinc/95/64/32/809956432.db2.gz IDSLSQLFSUOFAK-ZDUSSCGKSA-N 1 2 342.447 2.051 20 30 EEEDLO C[C@H](C#N)OCC[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000792916055 810068802 /nfs/dbraw/zinc/06/88/02/810068802.db2.gz QAARUYCYOLLXNT-RDBSUJKOSA-N 1 2 329.416 2.194 20 30 EEEDLO C[C@H](C#N)OCC[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000792916055 810068804 /nfs/dbraw/zinc/06/88/04/810068804.db2.gz QAARUYCYOLLXNT-RDBSUJKOSA-N 1 2 329.416 2.194 20 30 EEEDLO Cc1nc(N2CC[C@H](C)[C@H](NC(=O)C#CC(C)C)C2)c(C)c(C)[nH+]1 ZINC001114019213 810195182 /nfs/dbraw/zinc/19/51/82/810195182.db2.gz RBVLVJVXVJEOSV-SUMWQHHRSA-N 1 2 328.460 2.392 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3ccsc3[nH]2)[C@@H](O)C1 ZINC001090474421 810246348 /nfs/dbraw/zinc/24/63/48/810246348.db2.gz CRXAVSGBIPBKTQ-AAEUAGOBSA-N 1 2 339.848 2.147 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3ccsc3[nH]2)[C@@H](O)C1 ZINC001090474421 810246354 /nfs/dbraw/zinc/24/63/54/810246354.db2.gz CRXAVSGBIPBKTQ-AAEUAGOBSA-N 1 2 339.848 2.147 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(-c4ccco4)n3)C[C@H]21 ZINC001114070359 810302691 /nfs/dbraw/zinc/30/26/91/810302691.db2.gz XZLUSKRDGYYRKS-MUYACECFSA-N 1 2 342.424 2.109 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(-c4ccco4)n3)C[C@H]21 ZINC001114070359 810302697 /nfs/dbraw/zinc/30/26/97/810302697.db2.gz XZLUSKRDGYYRKS-MUYACECFSA-N 1 2 342.424 2.109 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(-c4ccco4)n3)C[C@H]21 ZINC001114070360 810302911 /nfs/dbraw/zinc/30/29/11/810302911.db2.gz XZLUSKRDGYYRKS-PBOSXPJTSA-N 1 2 342.424 2.109 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(-c4ccco4)n3)C[C@H]21 ZINC001114070360 810302919 /nfs/dbraw/zinc/30/29/19/810302919.db2.gz XZLUSKRDGYYRKS-PBOSXPJTSA-N 1 2 342.424 2.109 20 30 EEEDLO C#CCO[C@H](C)C(=O)N(C)CC[C@@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001114105146 810373178 /nfs/dbraw/zinc/37/31/78/810373178.db2.gz WRLPQYUMSFRPQP-GDBMZVCRSA-N 1 2 332.448 2.108 20 30 EEEDLO C#CCCCC(=O)N1CCC(OCCCNc2cc[nH+]c(C)n2)CC1 ZINC001114128789 810405049 /nfs/dbraw/zinc/40/50/49/810405049.db2.gz SQKRDKMOVGWKIO-UHFFFAOYSA-N 1 2 344.459 2.398 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3C(=O)C[C@H]3c3ccccc3)C2)nc1 ZINC000793592553 810424357 /nfs/dbraw/zinc/42/43/57/810424357.db2.gz RZIHJHAZXUWNEC-MSOLQXFVSA-N 1 2 348.406 2.337 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3C(=O)C[C@H]3c3ccccc3)C2)nc1 ZINC000793592553 810424362 /nfs/dbraw/zinc/42/43/62/810424362.db2.gz RZIHJHAZXUWNEC-MSOLQXFVSA-N 1 2 348.406 2.337 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(COC)n3)C[C@H]21 ZINC001114160518 810476913 /nfs/dbraw/zinc/47/69/13/810476913.db2.gz ZNJDNARZRCOTQC-HWWDLCQESA-N 1 2 347.484 2.030 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(COC)n3)C[C@H]21 ZINC001114160518 810476922 /nfs/dbraw/zinc/47/69/22/810476922.db2.gz ZNJDNARZRCOTQC-HWWDLCQESA-N 1 2 347.484 2.030 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC1(CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001114171349 810505309 /nfs/dbraw/zinc/50/53/09/810505309.db2.gz VUUBQILYLBMWNS-AWEZNQCLSA-N 1 2 330.432 2.054 20 30 EEEDLO CCCC[C@H](CNc1cc[nH+]c(C)n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001114251384 810682946 /nfs/dbraw/zinc/68/29/46/810682946.db2.gz OZCSWEJBANWGJA-CQSZACIVSA-N 1 2 326.404 2.386 20 30 EEEDLO C=CCn1cccc1C(=O)NCC[NH2+][C@@H](C)c1nc(CCCC)no1 ZINC001129517171 810887732 /nfs/dbraw/zinc/88/77/32/810887732.db2.gz HUEGQBKFTMSTEB-AWEZNQCLSA-N 1 2 345.447 2.480 20 30 EEEDLO Cc1nnsc1C[N@@H+](C)C[C@H]1CCCCN1C(=O)C#CC(C)C ZINC001157939837 811389907 /nfs/dbraw/zinc/38/99/07/811389907.db2.gz NIDOULIPMCWZNA-OAHLLOKOSA-N 1 2 334.489 2.319 20 30 EEEDLO Cc1nnsc1C[N@H+](C)C[C@H]1CCCCN1C(=O)C#CC(C)C ZINC001157939837 811389916 /nfs/dbraw/zinc/38/99/16/811389916.db2.gz NIDOULIPMCWZNA-OAHLLOKOSA-N 1 2 334.489 2.319 20 30 EEEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(C)(C)CCC)C1 ZINC001131313013 812668230 /nfs/dbraw/zinc/66/82/30/812668230.db2.gz FCBNCMHKHQFNRG-XHSDSOJGSA-N 1 2 349.475 2.105 20 30 EEEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(C)(C)CCC)C1 ZINC001131313013 812668236 /nfs/dbraw/zinc/66/82/36/812668236.db2.gz FCBNCMHKHQFNRG-XHSDSOJGSA-N 1 2 349.475 2.105 20 30 EEEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC001131392619 812783120 /nfs/dbraw/zinc/78/31/20/812783120.db2.gz ABOYRLANWVVDDP-INIZCTEOSA-N 1 2 337.508 2.285 20 30 EEEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC001131392619 812783125 /nfs/dbraw/zinc/78/31/25/812783125.db2.gz ABOYRLANWVVDDP-INIZCTEOSA-N 1 2 337.508 2.285 20 30 EEEDLO C=CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)C(=O)[O-] ZINC001588745570 984053607 /nfs/dbraw/zinc/05/36/07/984053607.db2.gz KSGNCFASFFZRHR-SFHVURJKSA-N 1 2 345.443 2.228 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCF ZINC001436862716 1088515482 /nfs/dbraw/zinc/51/54/82/1088515482.db2.gz NRTHPFYRILBWEF-CALCHBBNSA-N 1 2 345.418 2.492 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCF ZINC001436862716 1088515489 /nfs/dbraw/zinc/51/54/89/1088515489.db2.gz NRTHPFYRILBWEF-CALCHBBNSA-N 1 2 345.418 2.492 20 30 EEEDLO CCc1noc(C)c1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001437566534 1090044465 /nfs/dbraw/zinc/04/44/65/1090044465.db2.gz SVPUQTUWPVXRNV-UHFFFAOYSA-N 1 2 326.400 2.279 20 30 EEEDLO CCc1noc(C)c1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001437566534 1090044475 /nfs/dbraw/zinc/04/44/75/1090044475.db2.gz SVPUQTUWPVXRNV-UHFFFAOYSA-N 1 2 326.400 2.279 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc(NC(N)=O)cc1)C1CC1 ZINC001437818081 1090412277 /nfs/dbraw/zinc/41/22/77/1090412277.db2.gz LRVBOJGVTVWYBB-UHFFFAOYSA-N 1 2 336.823 2.124 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc(NC(N)=O)cc1)C1CC1 ZINC001437818081 1090412283 /nfs/dbraw/zinc/41/22/83/1090412283.db2.gz LRVBOJGVTVWYBB-UHFFFAOYSA-N 1 2 336.823 2.124 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C)nc2n[nH]c(C)c21 ZINC001439388587 1092137148 /nfs/dbraw/zinc/13/71/48/1092137148.db2.gz PHTADBJPGGRQKP-LLVKDONJSA-N 1 2 335.839 2.377 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)nc2n[nH]c(C)c21 ZINC001439388587 1092137152 /nfs/dbraw/zinc/13/71/52/1092137152.db2.gz PHTADBJPGGRQKP-LLVKDONJSA-N 1 2 335.839 2.377 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C1(CCOC)CC1)CC2 ZINC001444570241 1099382667 /nfs/dbraw/zinc/38/26/67/1099382667.db2.gz MGOGRJUYWWQTOG-UHFFFAOYSA-N 1 2 326.868 2.480 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C)s2)C1 ZINC001479961454 1099404695 /nfs/dbraw/zinc/40/46/95/1099404695.db2.gz GUIZDYXPMLQLIM-HNNXBMFYSA-N 1 2 349.500 2.220 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2ccc(C)s2)C1 ZINC001479961454 1099404699 /nfs/dbraw/zinc/40/46/99/1099404699.db2.gz GUIZDYXPMLQLIM-HNNXBMFYSA-N 1 2 349.500 2.220 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cnn3ccncc23)C1 ZINC001493957476 1103193400 /nfs/dbraw/zinc/19/34/00/1103193400.db2.gz UHAQPIFHGVQTAK-AWEZNQCLSA-N 1 2 347.850 2.408 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cnn3ccncc23)C1 ZINC001493957476 1103193405 /nfs/dbraw/zinc/19/34/05/1103193405.db2.gz UHAQPIFHGVQTAK-AWEZNQCLSA-N 1 2 347.850 2.408 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)Cc2c(C)nn(C)c2C)C1 ZINC001494905390 1104534633 /nfs/dbraw/zinc/53/46/33/1104534633.db2.gz IAZVTSULUMLFJZ-HNNXBMFYSA-N 1 2 338.883 2.255 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)Cc2c(C)nn(C)c2C)C1 ZINC001494905390 1104534645 /nfs/dbraw/zinc/53/46/45/1104534645.db2.gz IAZVTSULUMLFJZ-HNNXBMFYSA-N 1 2 338.883 2.255 20 30 EEEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)s1 ZINC000181306004 529641557 /nfs/dbraw/zinc/64/15/57/529641557.db2.gz JAXQIHOIYQSCHS-UHFFFAOYSA-N 1 2 328.441 2.468 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000066866127 215088621 /nfs/dbraw/zinc/08/86/21/215088621.db2.gz AOIAWYYRKVTWCA-KRWDZBQOSA-N 1 2 347.503 2.300 20 30 EEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](O)C1 ZINC000108355889 237123502 /nfs/dbraw/zinc/12/35/02/237123502.db2.gz AOOOWRDDYHOCBE-KBPBESRZSA-N 1 2 333.457 2.476 20 30 EEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](O)C1 ZINC000108355889 237123505 /nfs/dbraw/zinc/12/35/05/237123505.db2.gz AOOOWRDDYHOCBE-KBPBESRZSA-N 1 2 333.457 2.476 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000364267706 291276706 /nfs/dbraw/zinc/27/67/06/291276706.db2.gz XWMCFQOJHDJYCD-QGZVFWFLSA-N 1 2 344.411 2.044 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCOC2(CCOCC2)CC1 ZINC000364267706 291276708 /nfs/dbraw/zinc/27/67/08/291276708.db2.gz XWMCFQOJHDJYCD-QGZVFWFLSA-N 1 2 344.411 2.044 20 30 EEEDLO C=CC[NH+]1CCN(Cc2nc(=O)c3c4c(sc3[nH]2)CCCC4)CC1 ZINC000022771206 212322964 /nfs/dbraw/zinc/32/29/64/212322964.db2.gz OMROOSIBNINNCJ-UHFFFAOYSA-N 1 2 344.484 2.167 20 30 EEEDLO C=C(C)CNC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000427059909 241369890 /nfs/dbraw/zinc/36/98/90/241369890.db2.gz OJYIFBMJVUQZJM-UHFFFAOYSA-N 1 2 336.395 2.233 20 30 EEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c(C#N)c1C ZINC000245394810 243108924 /nfs/dbraw/zinc/10/89/24/243108924.db2.gz GQGYKKJPCGEPAW-JSGCOSHPSA-N 1 2 346.431 2.073 20 30 EEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CCC(N)=O)C2)c(C#N)c1C ZINC000245394810 243108930 /nfs/dbraw/zinc/10/89/30/243108930.db2.gz GQGYKKJPCGEPAW-JSGCOSHPSA-N 1 2 346.431 2.073 20 30 EEEDLO Cn1c(C#N)ccc1C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000451689258 243206254 /nfs/dbraw/zinc/20/62/54/243206254.db2.gz LOIKJYSARZMGHL-HNNXBMFYSA-N 1 2 328.803 2.337 20 30 EEEDLO C=CC[NH+](CC=C)CC1=C(C(=O)OCC)[C@H](c2ccco2)NC(=O)N1 ZINC000078636151 217092346 /nfs/dbraw/zinc/09/23/46/217092346.db2.gz WUHIXGVIELRAPM-INIZCTEOSA-N 1 2 345.399 2.125 20 30 EEEDLO C#CC[N@@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)C1CC1 ZINC000491514192 246054459 /nfs/dbraw/zinc/05/44/59/246054459.db2.gz HBPXUYJCJFXVFE-UHFFFAOYSA-N 1 2 340.345 2.342 20 30 EEEDLO C#CC[N@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)C1CC1 ZINC000491514192 246054463 /nfs/dbraw/zinc/05/44/63/246054463.db2.gz HBPXUYJCJFXVFE-UHFFFAOYSA-N 1 2 340.345 2.342 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000491547086 246069019 /nfs/dbraw/zinc/06/90/19/246069019.db2.gz YOQYLMJBODYIPW-UHFFFAOYSA-N 1 2 342.399 2.382 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000491547086 246069024 /nfs/dbraw/zinc/06/90/24/246069024.db2.gz YOQYLMJBODYIPW-UHFFFAOYSA-N 1 2 342.399 2.382 20 30 EEEDLO N#Cc1ccnc(N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)c1 ZINC000264353991 246391452 /nfs/dbraw/zinc/39/14/52/246391452.db2.gz SXNKPATWEICOHG-UHFFFAOYSA-N 1 2 349.442 2.060 20 30 EEEDLO N#Cc1ccnc(N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)c1 ZINC000264353991 246391458 /nfs/dbraw/zinc/39/14/58/246391458.db2.gz SXNKPATWEICOHG-UHFFFAOYSA-N 1 2 349.442 2.060 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ncc(C)s2)CC1 ZINC000267426968 251048763 /nfs/dbraw/zinc/04/87/63/251048763.db2.gz LQPKIVSGNXFCKR-OAHLLOKOSA-N 1 2 334.489 2.163 20 30 EEEDLO C#CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1)C1CC1 ZINC000491752709 533084437 /nfs/dbraw/zinc/08/44/37/533084437.db2.gz WTZTZVAHYYUJKS-GJZGRUSLSA-N 1 2 342.443 2.002 20 30 EEEDLO Cc1nc(C[NH+]2CCN(c3nc4ccccn4c3C#N)CC2)oc1C ZINC000272947790 256251449 /nfs/dbraw/zinc/25/14/49/256251449.db2.gz WXHWLFBXYDFRAT-UHFFFAOYSA-N 1 2 336.399 2.133 20 30 EEEDLO COC(=O)C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000093458400 533645662 /nfs/dbraw/zinc/64/56/62/533645662.db2.gz GSHJZCDMDCUAPF-QGZVFWFLSA-N 1 2 332.400 2.133 20 30 EEEDLO COC(=O)C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000093458400 533645667 /nfs/dbraw/zinc/64/56/67/533645667.db2.gz GSHJZCDMDCUAPF-QGZVFWFLSA-N 1 2 332.400 2.133 20 30 EEEDLO N#Cc1ccc2ncc(C[N@@H+](CCC3CCCCC3)CC(N)=O)n2c1 ZINC000092784526 159226549 /nfs/dbraw/zinc/22/65/49/159226549.db2.gz ZRWGLMUCCURURC-UHFFFAOYSA-N 1 2 339.443 2.464 20 30 EEEDLO N#Cc1ccc2ncc(C[N@H+](CCC3CCCCC3)CC(N)=O)n2c1 ZINC000092784526 159226550 /nfs/dbraw/zinc/22/65/50/159226550.db2.gz ZRWGLMUCCURURC-UHFFFAOYSA-N 1 2 339.443 2.464 20 30 EEEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)[C@H]1C ZINC000346693562 161392283 /nfs/dbraw/zinc/39/22/83/161392283.db2.gz NWUDJONKICVORR-JQWIXIFHSA-N 1 2 335.429 2.059 20 30 EEEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)[C@H]1C ZINC000346693562 161392284 /nfs/dbraw/zinc/39/22/84/161392284.db2.gz NWUDJONKICVORR-JQWIXIFHSA-N 1 2 335.429 2.059 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)c1F ZINC000352892169 162334655 /nfs/dbraw/zinc/33/46/55/162334655.db2.gz ILIUONYLQRXLDW-OAHLLOKOSA-N 1 2 333.432 2.237 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)c1F ZINC000352892169 162334657 /nfs/dbraw/zinc/33/46/57/162334657.db2.gz ILIUONYLQRXLDW-OAHLLOKOSA-N 1 2 333.432 2.237 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)Cc2c(F)cccc2C#N)CCO1 ZINC000354900832 163008438 /nfs/dbraw/zinc/00/84/38/163008438.db2.gz MXHATLYNNIDDHE-CXAGYDPISA-N 1 2 342.374 2.010 20 30 EEEDLO C[C@H](NC(=O)CSCc1ccc(C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000355135048 163091187 /nfs/dbraw/zinc/09/11/87/163091187.db2.gz DGYBPBJQJIFGAH-GJZGRUSLSA-N 1 2 347.484 2.017 20 30 EEEDLO N#Cc1cccc(CCNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)c1 ZINC000359929565 164198402 /nfs/dbraw/zinc/19/84/02/164198402.db2.gz JRNXHSPCPDATCR-QGZVFWFLSA-N 1 2 337.427 2.212 20 30 EEEDLO N#Cc1cccc(CCNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)c1 ZINC000359929565 164198403 /nfs/dbraw/zinc/19/84/03/164198403.db2.gz JRNXHSPCPDATCR-QGZVFWFLSA-N 1 2 337.427 2.212 20 30 EEEDLO N#Cc1cccc(CCNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)c1 ZINC000359948164 164202805 /nfs/dbraw/zinc/20/28/05/164202805.db2.gz YGJPMLJAVRQOFI-QGZVFWFLSA-N 1 2 337.427 2.354 20 30 EEEDLO N#Cc1cccc(CCNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)c1 ZINC000359948164 164202810 /nfs/dbraw/zinc/20/28/10/164202810.db2.gz YGJPMLJAVRQOFI-QGZVFWFLSA-N 1 2 337.427 2.354 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000374905610 167064740 /nfs/dbraw/zinc/06/47/40/167064740.db2.gz ZTNUUVMQCFPESG-IBGZPJMESA-N 1 2 339.370 2.229 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000374905610 167064743 /nfs/dbraw/zinc/06/47/43/167064743.db2.gz ZTNUUVMQCFPESG-IBGZPJMESA-N 1 2 339.370 2.229 20 30 EEEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cccnc2N)CC1 ZINC000296955181 270018542 /nfs/dbraw/zinc/01/85/42/270018542.db2.gz CHHCUPOBJGLWMU-UHFFFAOYSA-N 1 2 344.422 2.406 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000329917824 267144366 /nfs/dbraw/zinc/14/43/66/267144366.db2.gz FRPZLVGMSWHNJN-LYRGGWFBSA-N 1 2 348.834 2.203 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000329917824 267144370 /nfs/dbraw/zinc/14/43/70/267144370.db2.gz FRPZLVGMSWHNJN-LYRGGWFBSA-N 1 2 348.834 2.203 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329917824 267144373 /nfs/dbraw/zinc/14/43/73/267144373.db2.gz FRPZLVGMSWHNJN-LYRGGWFBSA-N 1 2 348.834 2.203 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329917824 267144376 /nfs/dbraw/zinc/14/43/76/267144376.db2.gz FRPZLVGMSWHNJN-LYRGGWFBSA-N 1 2 348.834 2.203 20 30 EEEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)F ZINC000455167942 267217675 /nfs/dbraw/zinc/21/76/75/267217675.db2.gz YFXZRVXODPLRQW-HNNXBMFYSA-N 1 2 336.386 2.429 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000333054561 267390780 /nfs/dbraw/zinc/39/07/80/267390780.db2.gz HFWWMUQHWGMBQI-OAHLLOKOSA-N 1 2 344.440 2.372 20 30 EEEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000279250140 268087204 /nfs/dbraw/zinc/08/72/04/268087204.db2.gz ACKXLPKOEBYZJE-ROUUACIJSA-N 1 2 345.406 2.031 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000444735400 268241437 /nfs/dbraw/zinc/24/14/37/268241437.db2.gz ZVAVPIZERJGTMX-IUODEOHRSA-N 1 2 341.333 2.132 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000444735400 268241439 /nfs/dbraw/zinc/24/14/39/268241439.db2.gz ZVAVPIZERJGTMX-IUODEOHRSA-N 1 2 341.333 2.132 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000275343521 269109038 /nfs/dbraw/zinc/10/90/38/269109038.db2.gz SYEBOJCNEYCYGO-GOEBONIOSA-N 1 2 325.372 2.334 20 30 EEEDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000269065816 278864472 /nfs/dbraw/zinc/86/44/72/278864472.db2.gz YXCNESXJOPYZFB-UHFFFAOYSA-N 1 2 337.383 2.492 20 30 EEEDLO Cc1nnc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000542611747 318133777 /nfs/dbraw/zinc/13/37/77/318133777.db2.gz LERNDEXYUHKLPV-IAQYHMDHSA-N 1 2 325.372 2.096 20 30 EEEDLO N#Cc1cc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)ncn1 ZINC000574954226 320073417 /nfs/dbraw/zinc/07/34/17/320073417.db2.gz HCEVNSZEABBOEA-UHFFFAOYSA-N 1 2 336.424 2.280 20 30 EEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNc1nccc(C#N)c1Cl ZINC000516975846 448514672 /nfs/dbraw/zinc/51/46/72/448514672.db2.gz KKQKZBNBCSIKSH-STQMWFEESA-N 1 2 348.813 2.365 20 30 EEEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2nn(C)cc2C#N)CC1 ZINC000613204996 450078275 /nfs/dbraw/zinc/07/82/75/450078275.db2.gz CTSMAAZOYQJKFM-GFCCVEGCSA-N 1 2 344.444 2.264 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)n3)[C@@H]2CC)CC1 ZINC001087713983 782113025 /nfs/dbraw/zinc/11/30/25/782113025.db2.gz YIXZQRZXXDDZBD-DLBZAZTESA-N 1 2 331.464 2.031 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)n3)[C@@H]2CC)CC1 ZINC001087713983 782113031 /nfs/dbraw/zinc/11/30/31/782113031.db2.gz YIXZQRZXXDDZBD-DLBZAZTESA-N 1 2 331.464 2.031 20 30 EEEDLO Cc1nncn1-c1cccc(NC(=O)C(C)(C)[NH+]2CCOCC2)c1 ZINC000328669660 465095367 /nfs/dbraw/zinc/09/53/67/465095367.db2.gz FXHRRHUTYQKDIV-UHFFFAOYSA-N 1 2 329.404 2.275 20 30 EEEDLO Cc1noc(CN2CC[NH+]([C@H](C)C(=O)NCC3CCCCC3)CC2)n1 ZINC000328843966 465145374 /nfs/dbraw/zinc/14/53/74/465145374.db2.gz UZRXNPMLUQPXGH-CQSZACIVSA-N 1 2 349.479 2.421 20 30 EEEDLO Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)nn1 ZINC000328881835 465156161 /nfs/dbraw/zinc/15/61/61/465156161.db2.gz MMOZQTLOACIVCJ-LLVKDONJSA-N 1 2 334.811 2.364 20 30 EEEDLO Cn1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)nn1 ZINC000328881835 465156163 /nfs/dbraw/zinc/15/61/63/465156163.db2.gz MMOZQTLOACIVCJ-LLVKDONJSA-N 1 2 334.811 2.364 20 30 EEEDLO CCc1nnc([C@@H](C)NC(=O)C2CC[NH+](Cc3nccn3C)CC2)[nH]1 ZINC000328908774 465165643 /nfs/dbraw/zinc/16/56/43/465165643.db2.gz DEKLSBLAQWFRNA-GFCCVEGCSA-N 1 2 345.451 2.030 20 30 EEEDLO CCc1nc([C@@H](C)NC(=O)C2CC[NH+](Cc3nccn3C)CC2)n[nH]1 ZINC000328908774 465165647 /nfs/dbraw/zinc/16/56/47/465165647.db2.gz DEKLSBLAQWFRNA-GFCCVEGCSA-N 1 2 345.451 2.030 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCC1=O ZINC000328919524 465168343 /nfs/dbraw/zinc/16/83/43/465168343.db2.gz LLZOFIKIGIJHLN-HIFRSBDPSA-N 1 2 331.416 2.380 20 30 EEEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@@H]1CC12CCCC2 ZINC000328936744 465173787 /nfs/dbraw/zinc/17/37/87/465173787.db2.gz QWENHYKOUNNFHL-INIZCTEOSA-N 1 2 333.476 2.468 20 30 EEEDLO COc1cc[nH+]cc1CNC(=O)Nc1ncccc1OCCCC#N ZINC000296864295 465237011 /nfs/dbraw/zinc/23/70/11/465237011.db2.gz MDWMKHVUGRGMBX-UHFFFAOYSA-N 1 2 341.371 2.489 20 30 EEEDLO Cn1c[nH+]cc1COc1cc(C#N)ccc1I ZINC000337199174 465238279 /nfs/dbraw/zinc/23/82/79/465238279.db2.gz APPOQHYLUOBZHI-UHFFFAOYSA-N 1 2 339.136 2.475 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccccc2CC)C1=O ZINC000337198388 465238986 /nfs/dbraw/zinc/23/89/86/465238986.db2.gz AALQWADCCCFSLO-PBHICJAKSA-N 1 2 329.444 2.295 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccccc2CC)C1=O ZINC000337198388 465238991 /nfs/dbraw/zinc/23/89/91/465238991.db2.gz AALQWADCCCFSLO-PBHICJAKSA-N 1 2 329.444 2.295 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(C#N)c(F)c1)C(C)(C)CO ZINC000297478042 465258878 /nfs/dbraw/zinc/25/88/78/465258878.db2.gz RWMYIKJAMAIILI-CQSZACIVSA-N 1 2 345.378 2.312 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000342016646 465285679 /nfs/dbraw/zinc/28/56/79/465285679.db2.gz LSPVEFQKBQDFFB-CYBMUJFWSA-N 1 2 346.387 2.174 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)C1=O ZINC000337285298 465286107 /nfs/dbraw/zinc/28/61/07/465286107.db2.gz ZSTOJJSJBHUEEG-LEOMRAHMSA-N 1 2 347.503 2.275 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)C1=O ZINC000337285298 465286113 /nfs/dbraw/zinc/28/61/13/465286113.db2.gz ZSTOJJSJBHUEEG-LEOMRAHMSA-N 1 2 347.503 2.275 20 30 EEEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC(F)(C#N)CC1 ZINC000355999775 465286291 /nfs/dbraw/zinc/28/62/91/465286291.db2.gz YVJQDJIBUAQGMX-UHFFFAOYSA-N 1 2 336.317 2.477 20 30 EEEDLO COC(=O)c1ccc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C#N)n1 ZINC000590586026 468278852 /nfs/dbraw/zinc/27/88/52/468278852.db2.gz IVILVOHKRSQWJR-WBMJQRKESA-N 1 2 325.372 2.024 20 30 EEEDLO O=C(NC1CCCCC1)N1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000329582985 465378869 /nfs/dbraw/zinc/37/88/69/465378869.db2.gz QLXJRUXCTWVBNC-UHFFFAOYSA-N 1 2 342.447 2.274 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1C#N ZINC000351824171 465383058 /nfs/dbraw/zinc/38/30/58/465383058.db2.gz FDCNHXWSMLGLPX-PXAZEXFGSA-N 1 2 344.459 2.343 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1C#N ZINC000351824171 465383064 /nfs/dbraw/zinc/38/30/64/465383064.db2.gz FDCNHXWSMLGLPX-PXAZEXFGSA-N 1 2 344.459 2.343 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc4cccnc43)n2CC)CC1 ZINC000491069806 468295520 /nfs/dbraw/zinc/29/55/20/468295520.db2.gz YLUIDFQCANNAGV-UHFFFAOYSA-N 1 2 346.438 2.268 20 30 EEEDLO N#Cc1cc(F)c(C(=O)NCCc2cn3ccccc3[nH+]2)c(F)c1 ZINC000152677307 462568218 /nfs/dbraw/zinc/56/82/18/462568218.db2.gz SXWQGEJDDILNHQ-UHFFFAOYSA-N 1 2 326.306 2.457 20 30 EEEDLO C[N@H+](CC(=O)Nc1nnc(-c2ccco2)o1)Cc1cccc(C#N)c1 ZINC000152836273 462586390 /nfs/dbraw/zinc/58/63/90/462586390.db2.gz ALNBRGFVJNCBKC-UHFFFAOYSA-N 1 2 337.339 2.272 20 30 EEEDLO C[N@@H+](CC(=O)Nc1nnc(-c2ccco2)o1)Cc1cccc(C#N)c1 ZINC000152836273 462586392 /nfs/dbraw/zinc/58/63/92/462586392.db2.gz ALNBRGFVJNCBKC-UHFFFAOYSA-N 1 2 337.339 2.272 20 30 EEEDLO N#CCOc1cccc(CC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000089650586 462704097 /nfs/dbraw/zinc/70/40/97/462704097.db2.gz VDIFPVRSMTXDJY-UHFFFAOYSA-N 1 2 347.378 2.029 20 30 EEEDLO C#CC[N@@H+](C/C(C)=C/c1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 ZINC000491178777 468314665 /nfs/dbraw/zinc/31/46/65/468314665.db2.gz BGNJJULGNABDLN-APEZIOSESA-N 1 2 347.480 2.359 20 30 EEEDLO C#CC[N@H+](C/C(C)=C/c1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 ZINC000491178777 468314669 /nfs/dbraw/zinc/31/46/69/468314669.db2.gz BGNJJULGNABDLN-APEZIOSESA-N 1 2 347.480 2.359 20 30 EEEDLO Cn1cccc1[C@@H]1COCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000131701366 462822620 /nfs/dbraw/zinc/82/26/20/462822620.db2.gz PITKAAAMIBMHJL-HNNXBMFYSA-N 1 2 344.440 2.360 20 30 EEEDLO Cn1cccc1[C@@H]1COCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000131701366 462822624 /nfs/dbraw/zinc/82/26/24/462822624.db2.gz PITKAAAMIBMHJL-HNNXBMFYSA-N 1 2 344.440 2.360 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2nc(C)cs2)CC1 ZINC000047891396 462833031 /nfs/dbraw/zinc/83/30/31/462833031.db2.gz CNKGPLIGTSCQGI-HNNXBMFYSA-N 1 2 336.505 2.387 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000052240263 463070837 /nfs/dbraw/zinc/07/08/37/463070837.db2.gz FSAOAMFNRGOODC-OAHLLOKOSA-N 1 2 347.484 2.095 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000052635566 463096398 /nfs/dbraw/zinc/09/63/98/463096398.db2.gz PDZSWQZYSHSQMO-CQSZACIVSA-N 1 2 334.851 2.223 20 30 EEEDLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026325552 463159327 /nfs/dbraw/zinc/15/93/27/463159327.db2.gz WRIQNDULPXQDGP-HXUWFJFHSA-N 1 2 349.434 2.307 20 30 EEEDLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026325552 463159331 /nfs/dbraw/zinc/15/93/31/463159331.db2.gz WRIQNDULPXQDGP-HXUWFJFHSA-N 1 2 349.434 2.307 20 30 EEEDLO C=CCNC(=O)CN1CC[NH+]([C@H](C)c2nc3ccccc3s2)CC1 ZINC000026887832 463175467 /nfs/dbraw/zinc/17/54/67/463175467.db2.gz JSVIUJGWIKPUBS-CQSZACIVSA-N 1 2 344.484 2.277 20 30 EEEDLO C[C@@H](Cc1ccccc1F)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000157845164 463177735 /nfs/dbraw/zinc/17/77/35/463177735.db2.gz SIAIJRNGTYJTQM-INIZCTEOSA-N 1 2 347.434 2.079 20 30 EEEDLO C=CCCO[C@H](C)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000069359414 463235807 /nfs/dbraw/zinc/23/58/07/463235807.db2.gz XSXOSHLZHCJMCQ-MRXNPFEDSA-N 1 2 331.460 2.354 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000030151863 463287709 /nfs/dbraw/zinc/28/77/09/463287709.db2.gz JHKINIXMYLPJFF-IUODEOHRSA-N 1 2 331.416 2.379 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000030151863 463287711 /nfs/dbraw/zinc/28/77/11/463287711.db2.gz JHKINIXMYLPJFF-IUODEOHRSA-N 1 2 331.416 2.379 20 30 EEEDLO Cc1oc(-c2cccs2)nc1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000522054077 468352019 /nfs/dbraw/zinc/35/20/19/468352019.db2.gz JEMXXWJKHCGPPF-MRXNPFEDSA-N 1 2 332.429 2.214 20 30 EEEDLO CC[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C[C@H](C)C#N ZINC000140440340 463341525 /nfs/dbraw/zinc/34/15/25/463341525.db2.gz NPOCYNNZXJGEHQ-LLVKDONJSA-N 1 2 349.232 2.439 20 30 EEEDLO CC[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C[C@H](C)C#N ZINC000140440340 463341528 /nfs/dbraw/zinc/34/15/28/463341528.db2.gz NPOCYNNZXJGEHQ-LLVKDONJSA-N 1 2 349.232 2.439 20 30 EEEDLO C#CC[N@@H+](CCCOc1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000104094417 463408458 /nfs/dbraw/zinc/40/84/58/463408458.db2.gz BCKYENFAPOBMDV-QGZVFWFLSA-N 1 2 335.469 2.195 20 30 EEEDLO C#CC[N@H+](CCCOc1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000104094417 463408461 /nfs/dbraw/zinc/40/84/61/463408461.db2.gz BCKYENFAPOBMDV-QGZVFWFLSA-N 1 2 335.469 2.195 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2sc(C)cc2OC(F)F)CC1 ZINC000072572537 463521452 /nfs/dbraw/zinc/52/14/52/463521452.db2.gz UPSJLVLVWSXNPX-UHFFFAOYSA-N 1 2 328.384 2.439 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2cccs2)CC1 ZINC000042475336 463565855 /nfs/dbraw/zinc/56/58/55/463565855.db2.gz TXIIORAQQORQLS-INIZCTEOSA-N 1 2 333.501 2.455 20 30 EEEDLO CCn1cc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)cn1 ZINC000072981194 463570177 /nfs/dbraw/zinc/57/01/77/463570177.db2.gz NQRIHVNAPWAOHV-UHFFFAOYSA-N 1 2 331.807 2.499 20 30 EEEDLO CCn1cc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)cn1 ZINC000072981194 463570184 /nfs/dbraw/zinc/57/01/84/463570184.db2.gz NQRIHVNAPWAOHV-UHFFFAOYSA-N 1 2 331.807 2.499 20 30 EEEDLO CC[N@@H+]1CCO[C@H](C(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)C1 ZINC000073765292 463653857 /nfs/dbraw/zinc/65/38/57/463653857.db2.gz CANVQLCRURYWHT-LBPRGKRZSA-N 1 2 335.795 2.434 20 30 EEEDLO CC[N@H+]1CCO[C@H](C(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)C1 ZINC000073765292 463653861 /nfs/dbraw/zinc/65/38/61/463653861.db2.gz CANVQLCRURYWHT-LBPRGKRZSA-N 1 2 335.795 2.434 20 30 EEEDLO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000268515269 463776491 /nfs/dbraw/zinc/77/64/91/463776491.db2.gz TUCPFRBEJHXQJU-STQMWFEESA-N 1 2 326.400 2.088 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1CCOCC1(C)C 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2.184 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)C2CCSCC2)cn1 ZINC000329896185 465466441 /nfs/dbraw/zinc/46/64/41/465466441.db2.gz CHUZYTVZTFJHCN-GJZGRUSLSA-N 1 2 340.468 2.432 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)C2CCSCC2)cn1 ZINC000329896185 465466445 /nfs/dbraw/zinc/46/64/45/465466445.db2.gz CHUZYTVZTFJHCN-GJZGRUSLSA-N 1 2 340.468 2.432 20 30 EEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4oc(C5CC5)nc4c3)C[C@H]21 ZINC000329933370 465479099 /nfs/dbraw/zinc/47/90/99/465479099.db2.gz PZJOWODTSVUFQY-GDBMZVCRSA-N 1 2 342.399 2.266 20 30 EEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4oc(C5CC5)nc4c3)C[C@H]21 ZINC000329933370 465479105 /nfs/dbraw/zinc/47/91/05/465479105.db2.gz PZJOWODTSVUFQY-GDBMZVCRSA-N 1 2 342.399 2.266 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@@H]2CC23CCCCC3)CCN1C ZINC000329945099 465483698 /nfs/dbraw/zinc/48/36/98/465483698.db2.gz FOWDMXRMNQKADC-HUUCEWRRSA-N 1 2 331.464 2.345 20 30 EEEDLO CC[C@@H](C(=O)OC)N1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000352722555 465549988 /nfs/dbraw/zinc/54/99/88/465549988.db2.gz AAXOVKHIIMBLNM-KRWDZBQOSA-N 1 2 334.847 2.261 20 30 EEEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000593940141 468440850 /nfs/dbraw/zinc/44/08/50/468440850.db2.gz HBSPEFDGJXRACH-INIZCTEOSA-N 1 2 334.423 2.481 20 30 EEEDLO Cn1c2ccccc2[nH+]c1CCCNc1ncc([N+](=O)[O-])cc1C#N ZINC000362268169 465619621 /nfs/dbraw/zinc/61/96/21/465619621.db2.gz YCOBVZWOKOWBTP-UHFFFAOYSA-N 1 2 336.355 2.793 20 30 EEEDLO CC(C)N(C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1)C(C)C ZINC000330424673 465654013 /nfs/dbraw/zinc/65/40/13/465654013.db2.gz RVELDLHQDBALQZ-UHFFFAOYSA-N 1 2 346.450 2.465 20 30 EEEDLO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1nc(C(C)(C)C)no1 ZINC000348532220 465659988 /nfs/dbraw/zinc/65/99/88/465659988.db2.gz GHTFNBSPGWDFPP-GFCCVEGCSA-N 1 2 341.415 2.206 20 30 EEEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCO[C@@H](C(C)C)C2)c(C)c1 ZINC000330737166 465782875 /nfs/dbraw/zinc/78/28/75/465782875.db2.gz MUEOHFVTZZEYNJ-MRXNPFEDSA-N 1 2 333.432 2.322 20 30 EEEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCO[C@@H](C(C)C)C2)c(C)c1 ZINC000330737166 465782880 /nfs/dbraw/zinc/78/28/80/465782880.db2.gz MUEOHFVTZZEYNJ-MRXNPFEDSA-N 1 2 333.432 2.322 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000340195386 465863362 /nfs/dbraw/zinc/86/33/62/465863362.db2.gz FENGSGGHANUNHU-HIFRSBDPSA-N 1 2 341.333 2.274 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000340195386 465863366 /nfs/dbraw/zinc/86/33/66/465863366.db2.gz FENGSGGHANUNHU-HIFRSBDPSA-N 1 2 341.333 2.274 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000348987818 465908020 /nfs/dbraw/zinc/90/80/20/465908020.db2.gz GOKXLFPJQRGGLL-HNNXBMFYSA-N 1 2 340.427 2.350 20 30 EEEDLO N#Cc1cncc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)c1 ZINC000357387555 465995876 /nfs/dbraw/zinc/99/58/76/465995876.db2.gz LMIJIJLGXBYFDE-UHFFFAOYSA-N 1 2 342.302 2.106 20 30 EEEDLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000331338329 466039837 /nfs/dbraw/zinc/03/98/37/466039837.db2.gz LPPJRFMZQHPGGH-NSHDSACASA-N 1 2 337.468 2.356 20 30 EEEDLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000331338329 466039848 /nfs/dbraw/zinc/03/98/48/466039848.db2.gz LPPJRFMZQHPGGH-NSHDSACASA-N 1 2 337.468 2.356 20 30 EEEDLO C=CCSCCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000338424175 466115193 /nfs/dbraw/zinc/11/51/93/466115193.db2.gz VCNUOBGVYQDHKD-UHFFFAOYSA-N 1 2 325.503 2.495 20 30 EEEDLO CN(Cc1ccc(C#N)cc1)c1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000302796997 466187746 /nfs/dbraw/zinc/18/77/46/466187746.db2.gz QOZVEWUYNWBOHN-QGZVFWFLSA-N 1 2 337.427 2.336 20 30 EEEDLO CN(Cc1ccc(C#N)cc1)c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000302796997 466187755 /nfs/dbraw/zinc/18/77/55/466187755.db2.gz QOZVEWUYNWBOHN-QGZVFWFLSA-N 1 2 337.427 2.336 20 30 EEEDLO N#C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1cccc(Br)c1 ZINC000346846527 466196533 /nfs/dbraw/zinc/19/65/33/466196533.db2.gz LFQUUTZQLPDJTA-GFCCVEGCSA-N 1 2 333.189 2.486 20 30 EEEDLO C[NH+]1CCN(C(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000340706017 466279953 /nfs/dbraw/zinc/27/99/53/466279953.db2.gz QSOMGSOCLGYFBP-UHFFFAOYSA-N 1 2 343.374 2.443 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2C)c1C#N ZINC000340884224 466408542 /nfs/dbraw/zinc/40/85/42/466408542.db2.gz BNWSGLYACBIPEP-WBMJQRKESA-N 1 2 344.459 2.485 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2C)c1C#N ZINC000340884224 466408546 /nfs/dbraw/zinc/40/85/46/466408546.db2.gz BNWSGLYACBIPEP-WBMJQRKESA-N 1 2 344.459 2.485 20 30 EEEDLO C=C(C)Cn1c(N2CC[C@@H]([NH+]3CCOCC3)C2)nnc1C(C)(C)C ZINC000338843675 466419634 /nfs/dbraw/zinc/41/96/34/466419634.db2.gz FICFXEZPRFMPPD-OAHLLOKOSA-N 1 2 333.480 2.063 20 30 EEEDLO COc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000332732439 466557992 /nfs/dbraw/zinc/55/79/92/466557992.db2.gz WIPXZOYVTXDVIY-AUUYWEPGSA-N 1 2 329.444 2.496 20 30 EEEDLO COc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000332732439 466557998 /nfs/dbraw/zinc/55/79/98/466557998.db2.gz WIPXZOYVTXDVIY-AUUYWEPGSA-N 1 2 329.444 2.496 20 30 EEEDLO N#CCCC[NH+]1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000367980484 466564091 /nfs/dbraw/zinc/56/40/91/466564091.db2.gz FDRXCFSSXVBKOH-LJQANCHMSA-N 1 2 340.471 2.099 20 30 EEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1n[nH]c(C3CC3)c1C#N)C2 ZINC000377134083 467038439 /nfs/dbraw/zinc/03/84/39/467038439.db2.gz ZPKWAGCHBGFVAD-NSHDSACASA-N 1 2 338.415 2.749 20 30 EEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1n[nH]c(C3CC3)c1C#N)CC2 ZINC000377134083 467038441 /nfs/dbraw/zinc/03/84/41/467038441.db2.gz ZPKWAGCHBGFVAD-NSHDSACASA-N 1 2 338.415 2.749 20 30 EEEDLO Cc1cc(N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c(C#N)c[nH+]1 ZINC000425219682 467088567 /nfs/dbraw/zinc/08/85/67/467088567.db2.gz CEZRLEZUAZRIOI-CYBMUJFWSA-N 1 2 344.440 2.107 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000425479037 467097279 /nfs/dbraw/zinc/09/72/79/467097279.db2.gz CXNQJJHITGDHHF-NEPJUHHUSA-N 1 2 337.445 2.169 20 30 EEEDLO COc1ccc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)nc1 ZINC000452043493 467311743 /nfs/dbraw/zinc/31/17/43/467311743.db2.gz BAOROVFREDOOJN-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000378500996 467324520 /nfs/dbraw/zinc/32/45/20/467324520.db2.gz SKLDKQJJOFRYFX-XYPHTWIQSA-N 1 2 332.400 2.130 20 30 EEEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000378500996 467324522 /nfs/dbraw/zinc/32/45/22/467324522.db2.gz SKLDKQJJOFRYFX-XYPHTWIQSA-N 1 2 332.400 2.130 20 30 EEEDLO CCn1nccc1C[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000429712427 467361006 /nfs/dbraw/zinc/36/10/06/467361006.db2.gz HGYMRSNGLYQYKT-GOSISDBHSA-N 1 2 337.427 2.402 20 30 EEEDLO CCn1nccc1C[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000429712427 467361009 /nfs/dbraw/zinc/36/10/09/467361009.db2.gz HGYMRSNGLYQYKT-GOSISDBHSA-N 1 2 337.427 2.402 20 30 EEEDLO N#CCCn1ncc(C(=O)NCCc2[nH]cc[nH+]2)c1-c1ccccc1 ZINC000429980228 467388728 /nfs/dbraw/zinc/38/87/28/467388728.db2.gz PQSWRJWGEHGXAS-UHFFFAOYSA-N 1 2 334.383 2.159 20 30 EEEDLO Cc1nc(NCc2cccc(C(=O)NCC3(CC#N)CC3)c2)cc[nH+]1 ZINC000435959774 467506743 /nfs/dbraw/zinc/50/67/43/467506743.db2.gz RQZGQTVUMMEZRH-UHFFFAOYSA-N 1 2 335.411 2.821 20 30 EEEDLO COc1cc[nH+]cc1CNS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000431601956 467527628 /nfs/dbraw/zinc/52/76/28/467527628.db2.gz GBSFFRLJZZPKHS-UHFFFAOYSA-N 1 2 337.788 2.094 20 30 EEEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439456199 467567248 /nfs/dbraw/zinc/56/72/48/467567248.db2.gz XLHBTCZCCOQURM-MFKMUULPSA-N 1 2 345.212 2.419 20 30 EEEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439456199 467567250 /nfs/dbraw/zinc/56/72/50/467567250.db2.gz XLHBTCZCCOQURM-MFKMUULPSA-N 1 2 345.212 2.419 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000457606529 467661258 /nfs/dbraw/zinc/66/12/58/467661258.db2.gz HOMAAHCGZSVWFY-QGZVFWFLSA-N 1 2 342.443 2.100 20 30 EEEDLO CC[C@](C)(CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC000455324318 467664314 /nfs/dbraw/zinc/66/43/14/467664314.db2.gz DQIFYHGOVCDNKW-LJQANCHMSA-N 1 2 344.459 2.201 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000455436627 467682296 /nfs/dbraw/zinc/68/22/96/467682296.db2.gz RXWOTCMVISIOPK-MSOLQXFVSA-N 1 2 347.434 2.387 20 30 EEEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000492751358 467738694 /nfs/dbraw/zinc/73/86/94/467738694.db2.gz LAZDUXNIPGPCAG-OLHLWXQYSA-N 1 2 339.439 2.141 20 30 EEEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000492751358 467738697 /nfs/dbraw/zinc/73/86/97/467738697.db2.gz LAZDUXNIPGPCAG-OLHLWXQYSA-N 1 2 339.439 2.141 20 30 EEEDLO N#Cc1ccc(N2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)c(Cl)c1 ZINC000492903648 467789881 /nfs/dbraw/zinc/78/98/81/467789881.db2.gz UMENDUVIRXMUTJ-RQOWECAXSA-N 1 2 341.802 2.297 20 30 EEEDLO C=CC[N@@H+](CCCC(=O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000450554812 467869621 /nfs/dbraw/zinc/86/96/21/467869621.db2.gz KYLZAFXYIIDSSS-MRXNPFEDSA-N 1 2 339.432 2.464 20 30 EEEDLO C=CC[N@H+](CCCC(=O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000450554812 467869623 /nfs/dbraw/zinc/86/96/23/467869623.db2.gz KYLZAFXYIIDSSS-MRXNPFEDSA-N 1 2 339.432 2.464 20 30 EEEDLO CCCOc1ccc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1OC ZINC000493330676 467888478 /nfs/dbraw/zinc/88/84/78/467888478.db2.gz YPMJDWROZLUSCE-QIBOZCLASA-N 1 2 345.443 2.457 20 30 EEEDLO C[C@H]1CCCC[C@@H]1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000514617872 467944191 /nfs/dbraw/zinc/94/41/91/467944191.db2.gz ZNGXIHQLTLXVRU-DOTOQJQBSA-N 1 2 329.444 2.378 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccnc(OC2CCCCC2)c1 ZINC000516476529 468029391 /nfs/dbraw/zinc/02/93/91/468029391.db2.gz SMZVJHZLEYLUOJ-GOSISDBHSA-N 1 2 330.432 2.367 20 30 EEEDLO Cc1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)nn1C ZINC000487414938 468037167 /nfs/dbraw/zinc/03/71/67/468037167.db2.gz XTPKIFXMBXAJEV-UHFFFAOYSA-N 1 2 346.438 2.471 20 30 EEEDLO COc1ccc2cccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c2c1 ZINC000565634031 468134432 /nfs/dbraw/zinc/13/44/32/468134432.db2.gz YCMFJJGAJYCMTA-IBGZPJMESA-N 1 2 325.412 2.351 20 30 EEEDLO Cc1nc(C)c(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)o1 ZINC000589255883 468138401 /nfs/dbraw/zinc/13/84/01/468138401.db2.gz RSHVIVKOSXSQSK-UHFFFAOYSA-N 1 2 327.388 2.351 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000576122033 468160685 /nfs/dbraw/zinc/16/06/85/468160685.db2.gz UPTNHASOFACOQR-TUAOUCFPSA-N 1 2 331.338 2.306 20 30 EEEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ncc(C#N)cn1 ZINC000496416326 468233181 /nfs/dbraw/zinc/23/31/81/468233181.db2.gz NSIJALZODIVLHY-OCCSQVGLSA-N 1 2 331.420 2.226 20 30 EEEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ncc(C#N)cn1 ZINC000496416326 468233185 /nfs/dbraw/zinc/23/31/85/468233185.db2.gz NSIJALZODIVLHY-OCCSQVGLSA-N 1 2 331.420 2.226 20 30 EEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000490854197 468258288 /nfs/dbraw/zinc/25/82/88/468258288.db2.gz YFHLZCXQGOVCAZ-UHFFFAOYSA-N 1 2 340.177 2.251 20 30 EEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000490854197 468258292 /nfs/dbraw/zinc/25/82/92/468258292.db2.gz YFHLZCXQGOVCAZ-UHFFFAOYSA-N 1 2 340.177 2.251 20 30 EEEDLO COc1cc(C#N)ccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000582460535 468542200 /nfs/dbraw/zinc/54/22/00/468542200.db2.gz UULHYMRMXRGXEP-UHFFFAOYSA-N 1 2 337.383 2.316 20 30 EEEDLO C[C@H]1SCC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000592054584 468607600 /nfs/dbraw/zinc/60/76/00/468607600.db2.gz VYRBFTXNYRKZIC-RHSMWYFYSA-N 1 2 344.484 2.279 20 30 EEEDLO CC(C)(C)[C@H](NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1cccs1 ZINC000592149343 468639419 /nfs/dbraw/zinc/63/94/19/468639419.db2.gz NGRYSQTXIXHBHR-WBVHZDCISA-N 1 2 335.473 2.302 20 30 EEEDLO CC(C)(C)[C@H](NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1cccs1 ZINC000592149343 468639422 /nfs/dbraw/zinc/63/94/22/468639422.db2.gz NGRYSQTXIXHBHR-WBVHZDCISA-N 1 2 335.473 2.302 20 30 EEEDLO CC[C@H](C(=O)N1CCc2cc(C#N)ccc21)[N@@H+]1CCO[C@H](CC)C1 ZINC000597771005 468664353 /nfs/dbraw/zinc/66/43/53/468664353.db2.gz AWLVKQFYPJQXIA-IAGOWNOFSA-N 1 2 327.428 2.337 20 30 EEEDLO CC[C@H](C(=O)N1CCc2cc(C#N)ccc21)[N@H+]1CCO[C@H](CC)C1 ZINC000597771005 468664355 /nfs/dbraw/zinc/66/43/55/468664355.db2.gz AWLVKQFYPJQXIA-IAGOWNOFSA-N 1 2 327.428 2.337 20 30 EEEDLO CC[C@H](C#N)C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000593449356 468984142 /nfs/dbraw/zinc/98/41/42/468984142.db2.gz AQYMIENGNIWOCZ-SJLPKXTDSA-N 1 2 329.444 2.286 20 30 EEEDLO C[C@@H]([NH2+][C@@H](CO)c1cccc(Cl)c1Cl)C(=O)N(C)CCC#N ZINC000595831197 469031256 /nfs/dbraw/zinc/03/12/56/469031256.db2.gz YSARHEOQHGRBAA-MFKMUULPSA-N 1 2 344.242 2.377 20 30 EEEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000602865104 469128539 /nfs/dbraw/zinc/12/85/39/469128539.db2.gz WJCVKDOMECPZRK-SECBINFHSA-N 1 2 330.251 2.361 20 30 EEEDLO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+][C@H](C)CC#N)CCC2 ZINC000602869225 469129007 /nfs/dbraw/zinc/12/90/07/469129007.db2.gz MUUOZRAOBBVYQN-SNVBAGLBSA-N 1 2 335.429 2.244 20 30 EEEDLO N#Cc1cnnc(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000596057399 469131487 /nfs/dbraw/zinc/13/14/87/469131487.db2.gz OXBGBLPNAOTCFN-UHFFFAOYSA-N 1 2 331.782 2.463 20 30 EEEDLO Cc1cn2ccc(C(=O)N3CCN(c4ccccc4C#N)CC3)cc2[nH+]1 ZINC000602089602 469183653 /nfs/dbraw/zinc/18/36/53/469183653.db2.gz NEDZACVHZMHQDF-UHFFFAOYSA-N 1 2 345.406 2.477 20 30 EEEDLO CC(C)N1CC[C@H]([NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1=O ZINC000611553052 469277819 /nfs/dbraw/zinc/27/78/19/469277819.db2.gz PNIPBUYQBSZEEE-ZWKOTPCHSA-N 1 2 344.434 2.017 20 30 EEEDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cccc(C#N)n1 ZINC000602432883 469314283 /nfs/dbraw/zinc/31/42/83/469314283.db2.gz HZFLHFCKHWBJGJ-UHFFFAOYSA-N 1 2 326.375 2.231 20 30 EEEDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cccc(C#N)n1 ZINC000602432883 469314286 /nfs/dbraw/zinc/31/42/86/469314286.db2.gz HZFLHFCKHWBJGJ-UHFFFAOYSA-N 1 2 326.375 2.231 20 30 EEEDLO COc1cccc(OC)c1OC[C@H](O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612164780 469408850 /nfs/dbraw/zinc/40/88/50/469408850.db2.gz IXYOCEBERIXWHX-RDTXWAMCSA-N 1 2 334.416 2.069 20 30 EEEDLO COc1cccc(OC)c1OC[C@H](O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612164780 469408855 /nfs/dbraw/zinc/40/88/55/469408855.db2.gz IXYOCEBERIXWHX-RDTXWAMCSA-N 1 2 334.416 2.069 20 30 EEEDLO CCc1noc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000604536324 469487790 /nfs/dbraw/zinc/48/77/90/469487790.db2.gz IXTDYTVJQZIODX-UHFFFAOYSA-N 1 2 339.399 2.354 20 30 EEEDLO C=CCc1ccc(OCC(=O)N[C@H](C)c2[nH+]ccn2C)c(OC)c1 ZINC000620592000 469870144 /nfs/dbraw/zinc/87/01/44/469870144.db2.gz IJIOIKRRXJXGFZ-CYBMUJFWSA-N 1 2 329.400 2.413 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC000609487231 469932686 /nfs/dbraw/zinc/93/26/86/469932686.db2.gz YSFPLXMYPXVVCL-PKOBYXMFSA-N 1 2 342.487 2.372 20 30 EEEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@H]2c2ccco2)cc1 ZINC000609744597 469958737 /nfs/dbraw/zinc/95/87/37/469958737.db2.gz LZZZBXLLNLMJQX-AEFFLSMTSA-N 1 2 342.395 2.159 20 30 EEEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@H]2c2ccco2)cc1 ZINC000609744597 469958743 /nfs/dbraw/zinc/95/87/43/469958743.db2.gz LZZZBXLLNLMJQX-AEFFLSMTSA-N 1 2 342.395 2.159 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)C(CC)CC)CC1 ZINC000642099403 470524122 /nfs/dbraw/zinc/52/41/22/470524122.db2.gz SLYBJKGVZBKTQO-MRXNPFEDSA-N 1 2 337.508 2.380 20 30 EEEDLO C=CCn1cc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)nn1 ZINC000648279329 471148039 /nfs/dbraw/zinc/14/80/39/471148039.db2.gz CNYJLDBYCRAHGV-UHFFFAOYSA-N 1 2 340.431 2.170 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nn1 ZINC000657486004 471150728 /nfs/dbraw/zinc/15/07/28/471150728.db2.gz QJUKXOMVRLPVJX-GJZGRUSLSA-N 1 2 339.443 2.310 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(OCc3cccnc3)cc2)nn1 ZINC000640994833 471156659 /nfs/dbraw/zinc/15/66/59/471156659.db2.gz UVEQSIAGIBBLIO-UHFFFAOYSA-N 1 2 347.422 2.413 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2cc(OC)ccc2Br)nn1 ZINC000641058828 471183756 /nfs/dbraw/zinc/18/37/56/471183756.db2.gz WLXNYHUKAVUDDA-UHFFFAOYSA-N 1 2 349.232 2.210 20 30 EEEDLO C=CCOc1cccc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000665846984 472213180 /nfs/dbraw/zinc/21/31/80/472213180.db2.gz DVOXAJYXBAYOJN-INIZCTEOSA-N 1 2 331.416 2.190 20 30 EEEDLO N#Cc1ncn(Cc2cn3cc(Br)ccc3[nH+]2)c1C#N ZINC000180419108 485509715 /nfs/dbraw/zinc/50/97/15/485509715.db2.gz JTLOLFSHCXGQLY-UHFFFAOYSA-N 1 2 327.145 2.085 20 30 EEEDLO CCC#C[C@H](C)[NH+]1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000677047468 486368239 /nfs/dbraw/zinc/36/82/39/486368239.db2.gz BNLVCFZXEPUAMT-PKOBYXMFSA-N 1 2 325.456 2.211 20 30 EEEDLO C=CCOCCCC(=O)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000266281042 534871330 /nfs/dbraw/zinc/87/13/30/534871330.db2.gz KVCQPYUTLXICHB-UHFFFAOYSA-N 1 2 332.444 2.335 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(OCCC)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000092361500 526340733 /nfs/dbraw/zinc/34/07/33/526340733.db2.gz IXHFKXQNRKSEAS-OAHLLOKOSA-N 1 2 339.457 2.356 20 30 EEEDLO C=CC[N@H+](Cc1ccc(OCCC)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000092361500 526340736 /nfs/dbraw/zinc/34/07/36/526340736.db2.gz IXHFKXQNRKSEAS-OAHLLOKOSA-N 1 2 339.457 2.356 20 30 EEEDLO C#CCCCC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000192155520 526679624 /nfs/dbraw/zinc/67/96/24/526679624.db2.gz XVRNBMIMXVOUCM-UHFFFAOYSA-N 1 2 330.428 2.022 20 30 EEEDLO C=CC[C@@H](CC)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000356377206 527050399 /nfs/dbraw/zinc/05/03/99/527050399.db2.gz PNQPLILZZPEVTL-WBVHZDCISA-N 1 2 346.475 2.488 20 30 EEEDLO C=CC[C@@H](CC)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000356377206 527050404 /nfs/dbraw/zinc/05/04/04/527050404.db2.gz PNQPLILZZPEVTL-WBVHZDCISA-N 1 2 346.475 2.488 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](c1nc(C)no1)C1CCOCC1 ZINC000370174667 527636630 /nfs/dbraw/zinc/63/66/30/527636630.db2.gz QLRLAISEKYJWMQ-XJKSGUPXSA-N 1 2 348.447 2.024 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000171533545 528379834 /nfs/dbraw/zinc/37/98/34/528379834.db2.gz MLFSMMSRNACJER-KGLIPLIRSA-N 1 2 346.431 2.188 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)nc1 ZINC000728814630 576532944 /nfs/dbraw/zinc/53/29/44/576532944.db2.gz RRMSERBKNUXXIG-FQEVSTJZSA-N 1 2 349.434 2.175 20 30 EEEDLO N#CCCN(Cc1ccccn1)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000728871143 576554625 /nfs/dbraw/zinc/55/46/25/576554625.db2.gz JKKOKKNGACPSOI-UHFFFAOYSA-N 1 2 332.367 2.218 20 30 EEEDLO C#CCCCCC(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000773636979 577356297 /nfs/dbraw/zinc/35/62/97/577356297.db2.gz ZWJWRTABLITXSS-UHFFFAOYSA-N 1 2 348.468 2.129 20 30 EEEDLO C#C[C@H]([NH2+]Cc1cc(O)c(OC)cc1Br)[C@@H]1CCCO1 ZINC000776001658 577450406 /nfs/dbraw/zinc/45/04/06/577450406.db2.gz QLKDTROPNUHTGB-JSGCOSHPSA-N 1 2 340.217 2.434 20 30 EEEDLO C#C[C@@H](NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)[C@@H]1CCCO1 ZINC000776235158 577455408 /nfs/dbraw/zinc/45/54/08/577455408.db2.gz PLZBNNPWPQKMJB-ZBFHGGJFSA-N 1 2 331.416 2.029 20 30 EEEDLO C#C[C@H](NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)[C@H]1CCCO1 ZINC000776235152 577455413 /nfs/dbraw/zinc/45/54/13/577455413.db2.gz PLZBNNPWPQKMJB-GOEBONIOSA-N 1 2 331.416 2.029 20 30 EEEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CCOC4(CCOCC4)C3)n2)cc1 ZINC000767792812 577544969 /nfs/dbraw/zinc/54/49/69/577544969.db2.gz UUVCHRPJHCGHQG-UHFFFAOYSA-N 1 2 338.411 2.261 20 30 EEEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CCOC4(CCOCC4)C3)n2)cc1 ZINC000767792812 577544970 /nfs/dbraw/zinc/54/49/70/577544970.db2.gz UUVCHRPJHCGHQG-UHFFFAOYSA-N 1 2 338.411 2.261 20 30 EEEDLO C[C@]1(c2ccccc2)NC(=O)N(N=Cc2cccc3[nH+]ccn32)C1=O ZINC000771086995 577609599 /nfs/dbraw/zinc/60/95/99/577609599.db2.gz BYWOTLHZRKSFGA-GOSISDBHSA-N 1 2 333.351 2.135 20 30 EEEDLO Fc1ccc(CNC(=S)NN=Cc2cccc3[nH+]ccn32)cc1 ZINC000771099059 577609815 /nfs/dbraw/zinc/60/98/15/577609815.db2.gz WARYCWQXVAJSTP-UHFFFAOYSA-N 1 2 327.388 2.472 20 30 EEEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)CC1(O)CCC1 ZINC000759876572 577652738 /nfs/dbraw/zinc/65/27/38/577652738.db2.gz LYAMIXAITFPPLQ-LBPRGKRZSA-N 1 2 329.425 2.319 20 30 EEEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)CC1(O)CCC1 ZINC000759876572 577652739 /nfs/dbraw/zinc/65/27/39/577652739.db2.gz LYAMIXAITFPPLQ-LBPRGKRZSA-N 1 2 329.425 2.319 20 30 EEEDLO Cc1cccn2c(C=CC(=O)C3=C(C)N=C4N=NNN4[C@H]3C)c[nH+]c12 ZINC000752878316 577777455 /nfs/dbraw/zinc/77/74/55/577777455.db2.gz CHHCSMKBLOBVPI-SYTKJHMZSA-N 1 2 335.371 2.445 20 30 EEEDLO Cn1c2ccccc2nc1[C@H](C#N)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000753950205 577797207 /nfs/dbraw/zinc/79/72/07/577797207.db2.gz NYPNUUDBDUZCKH-QWHCGFSZSA-N 1 2 328.441 2.187 20 30 EEEDLO Cn1c2ccccc2nc1[C@H](C#N)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000753950205 577797208 /nfs/dbraw/zinc/79/72/08/577797208.db2.gz NYPNUUDBDUZCKH-QWHCGFSZSA-N 1 2 328.441 2.187 20 30 EEEDLO CCOC(=O)[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)C1CCOCC1 ZINC000755194668 577821606 /nfs/dbraw/zinc/82/16/06/577821606.db2.gz XKDUQGWPFNWQLW-KRWDZBQOSA-N 1 2 332.400 2.037 20 30 EEEDLO C#CCCCNC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000743691131 577889022 /nfs/dbraw/zinc/88/90/22/577889022.db2.gz RUZBCSRVHGMDQO-UHFFFAOYSA-N 1 2 329.444 2.244 20 30 EEEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C[C@@H]1CCOC1 ZINC000749847064 577982901 /nfs/dbraw/zinc/98/29/01/577982901.db2.gz JYONSMKNXAXYKW-STQMWFEESA-N 1 2 329.425 2.441 20 30 EEEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C[C@@H]1CCOC1 ZINC000749847064 577982902 /nfs/dbraw/zinc/98/29/02/577982902.db2.gz JYONSMKNXAXYKW-STQMWFEESA-N 1 2 329.425 2.441 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826386557 608066783 /nfs/dbraw/zinc/06/67/83/608066783.db2.gz JOUFTINWYRUODE-SFHVURJKSA-N 1 2 346.394 2.312 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826386557 608066784 /nfs/dbraw/zinc/06/67/84/608066784.db2.gz JOUFTINWYRUODE-SFHVURJKSA-N 1 2 346.394 2.312 20 30 EEEDLO Cc1cc(C(N)=[NH+]OCc2cccc(-c3nn[nH]n3)c2)ccc1F ZINC000826262000 608150926 /nfs/dbraw/zinc/15/09/26/608150926.db2.gz BCBXBRSNNSGQRB-UHFFFAOYSA-N 1 2 326.335 2.151 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccon2)[C@@H]1CC ZINC001087759016 782189536 /nfs/dbraw/zinc/18/95/36/782189536.db2.gz YAEANRKAODIZIH-NXOAAHMSSA-N 1 2 333.432 2.125 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccon2)[C@@H]1CC ZINC001087759016 782189529 /nfs/dbraw/zinc/18/95/29/782189529.db2.gz YAEANRKAODIZIH-NXOAAHMSSA-N 1 2 333.432 2.125 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCCC[N@@H+]2Cc2ncccn2)cn1 ZINC000969121423 674601788 /nfs/dbraw/zinc/60/17/88/674601788.db2.gz HUZXXVHBVRKBLG-SFHVURJKSA-N 1 2 349.438 2.028 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCCC[N@H+]2Cc2ncccn2)cn1 ZINC000969121423 674601790 /nfs/dbraw/zinc/60/17/90/674601790.db2.gz HUZXXVHBVRKBLG-SFHVURJKSA-N 1 2 349.438 2.028 20 30 EEEDLO C[C@@H](NC(=O)c1cocn1)C1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC000969393554 674934267 /nfs/dbraw/zinc/93/42/67/674934267.db2.gz YUGNQAQGANKWHN-CYBMUJFWSA-N 1 2 343.814 2.430 20 30 EEEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2ccc(F)cc2F)C1 ZINC000969526741 675089161 /nfs/dbraw/zinc/08/91/61/675089161.db2.gz OQHYHVUMKBTWSO-NSHDSACASA-N 1 2 344.365 2.415 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nc([C@@H](C)OC)no2)C1 ZINC000969570559 675110882 /nfs/dbraw/zinc/11/08/82/675110882.db2.gz TVHJBLVUYPWELN-CHWSQXEVSA-N 1 2 336.436 2.070 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2nocc2C)C1 ZINC000970559687 675985341 /nfs/dbraw/zinc/98/53/41/675985341.db2.gz DBYUHODDBVHBMH-ZVZYQTTQSA-N 1 2 347.459 2.291 20 30 EEEDLO Cc1cc(C(=O)N[C@H](C)C2C[NH+](Cc3ccccc3C#N)C2)nc(C)n1 ZINC000970580475 675999952 /nfs/dbraw/zinc/99/99/52/675999952.db2.gz LQBKHJNEQPSWEI-CQSZACIVSA-N 1 2 349.438 2.215 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC000970593242 676011224 /nfs/dbraw/zinc/01/12/24/676011224.db2.gz IQTYZOTXFNENKX-GFCCVEGCSA-N 1 2 345.834 2.274 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2CC3(C2)CCOCC3)C1 ZINC000970737197 676115265 /nfs/dbraw/zinc/11/52/65/676115265.db2.gz KYBKIGLRVRSSJF-CYBMUJFWSA-N 1 2 326.868 2.382 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC000969959667 675341685 /nfs/dbraw/zinc/34/16/85/675341685.db2.gz VJVLBANZEKOKAI-CYBMUJFWSA-N 1 2 349.862 2.318 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nc(C)n3ccccc23)C1 ZINC000970154469 675590319 /nfs/dbraw/zinc/59/03/19/675590319.db2.gz IUCJBIIWKFUJMT-LBPRGKRZSA-N 1 2 332.835 2.445 20 30 EEEDLO C=C1CCC(C(=O)N[C@H](C)C2C[NH+](Cc3ccnc(OC)n3)C2)CC1 ZINC000970377975 675831324 /nfs/dbraw/zinc/83/13/24/675831324.db2.gz UOCVGMKSEDFTRW-CQSZACIVSA-N 1 2 344.459 2.168 20 30 EEEDLO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001067568603 676313910 /nfs/dbraw/zinc/31/39/10/676313910.db2.gz LNUIAQIYUBRPNT-MRXNPFEDSA-N 1 2 346.475 2.109 20 30 EEEDLO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001067568601 676314044 /nfs/dbraw/zinc/31/40/44/676314044.db2.gz LNUIAQIYUBRPNT-INIZCTEOSA-N 1 2 346.475 2.109 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C)n2C)C1 ZINC000971048467 676340219 /nfs/dbraw/zinc/34/02/19/676340219.db2.gz KUSGHOYAJIWOLW-CYBMUJFWSA-N 1 2 340.265 2.388 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C)n2C)C1 ZINC000971048467 676340220 /nfs/dbraw/zinc/34/02/20/676340220.db2.gz KUSGHOYAJIWOLW-CYBMUJFWSA-N 1 2 340.265 2.388 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)C[C@@H]2CCCO2)C1 ZINC000971105779 676376512 /nfs/dbraw/zinc/37/65/12/676376512.db2.gz BBNSGEBJFZNXPL-MSOLQXFVSA-N 1 2 345.418 2.299 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)C[C@@H]2CCCO2)C1 ZINC000971105779 676376513 /nfs/dbraw/zinc/37/65/13/676376513.db2.gz BBNSGEBJFZNXPL-MSOLQXFVSA-N 1 2 345.418 2.299 20 30 EEEDLO C[N@H+](Cc1cnc(Cl)s1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971291629 676473348 /nfs/dbraw/zinc/47/33/48/676473348.db2.gz KEZFRHCBIAJXMC-NSHDSACASA-N 1 2 349.847 2.343 20 30 EEEDLO C[N@@H+](Cc1cnc(Cl)s1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971291629 676473349 /nfs/dbraw/zinc/47/33/49/676473349.db2.gz KEZFRHCBIAJXMC-NSHDSACASA-N 1 2 349.847 2.343 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCOC2)C1 ZINC000971297444 676474320 /nfs/dbraw/zinc/47/43/20/676474320.db2.gz HOZGOOLSWMEQRM-UONOGXRCSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCOC2)C1 ZINC000971297444 676474321 /nfs/dbraw/zinc/47/43/21/676474321.db2.gz HOZGOOLSWMEQRM-UONOGXRCSA-N 1 2 345.281 2.244 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3nccs3)C2)cc1 ZINC000972058939 678184883 /nfs/dbraw/zinc/18/48/83/678184883.db2.gz MYPQGOPITHFMBV-MRXNPFEDSA-N 1 2 325.437 2.471 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3nccs3)C2)cc1 ZINC000972058939 678184885 /nfs/dbraw/zinc/18/48/85/678184885.db2.gz MYPQGOPITHFMBV-MRXNPFEDSA-N 1 2 325.437 2.471 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)C2)c1 ZINC001058540248 678307272 /nfs/dbraw/zinc/30/72/72/678307272.db2.gz XBJHHMQDTAYVHZ-QGZVFWFLSA-N 1 2 347.422 2.047 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@@H]([N@H+](C)Cc3csc(C)n3)C2)c1 ZINC000972291703 678502746 /nfs/dbraw/zinc/50/27/46/678502746.db2.gz FEUVKKPJILMCFL-QGZVFWFLSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3csc(C)n3)C2)c1 ZINC000972291703 678502750 /nfs/dbraw/zinc/50/27/50/678502750.db2.gz FEUVKKPJILMCFL-QGZVFWFLSA-N 1 2 340.452 2.174 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC000972297395 678509187 /nfs/dbraw/zinc/50/91/87/678509187.db2.gz QTNSFUPHHAGBMX-INIZCTEOSA-N 1 2 333.382 2.480 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC000972297395 678509191 /nfs/dbraw/zinc/50/91/91/678509191.db2.gz QTNSFUPHHAGBMX-INIZCTEOSA-N 1 2 333.382 2.480 20 30 EEEDLO C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000972389296 678668055 /nfs/dbraw/zinc/66/80/55/678668055.db2.gz KFTUHBNMWKEIFF-TZMCWYRMSA-N 1 2 338.345 2.156 20 30 EEEDLO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000972389296 678668058 /nfs/dbraw/zinc/66/80/58/678668058.db2.gz KFTUHBNMWKEIFF-TZMCWYRMSA-N 1 2 338.345 2.156 20 30 EEEDLO C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC000972389296 678668060 /nfs/dbraw/zinc/66/80/60/678668060.db2.gz KFTUHBNMWKEIFF-TZMCWYRMSA-N 1 2 338.345 2.156 20 30 EEEDLO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC000972389296 678668064 /nfs/dbraw/zinc/66/80/64/678668064.db2.gz KFTUHBNMWKEIFF-TZMCWYRMSA-N 1 2 338.345 2.156 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2nocc2C)C1 ZINC000972514835 679132616 /nfs/dbraw/zinc/13/26/16/679132616.db2.gz UAXNKZIDTYNHIR-BQFCYCMXSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2nocc2C)C1 ZINC000972514835 679132618 /nfs/dbraw/zinc/13/26/18/679132618.db2.gz UAXNKZIDTYNHIR-BQFCYCMXSA-N 1 2 347.459 2.387 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C)cc3F)C2)C1 ZINC000972571109 679326603 /nfs/dbraw/zinc/32/66/03/679326603.db2.gz IDFPXPDKFMDZRO-LJQANCHMSA-N 1 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679362279 /nfs/dbraw/zinc/36/22/79/679362279.db2.gz KPRFKLRUWGLELU-RDTXWAMCSA-N 1 2 333.432 2.291 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc([C@H](C)CC)no3)C2)C1 ZINC000972585339 679362282 /nfs/dbraw/zinc/36/22/82/679362282.db2.gz KPRFKLRUWGLELU-RDTXWAMCSA-N 1 2 333.432 2.291 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3coc4ccccc34)C2)C1 ZINC000972613205 679426088 /nfs/dbraw/zinc/42/60/88/679426088.db2.gz ANKPHXICXONWAX-FQEVSTJZSA-N 1 2 340.423 2.465 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3coc4ccccc34)C2)C1 ZINC000972613205 679426092 /nfs/dbraw/zinc/42/60/92/679426092.db2.gz ANKPHXICXONWAX-FQEVSTJZSA-N 1 2 340.423 2.465 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)cc(C)cc3C)C2)C1 ZINC000972665555 679541537 /nfs/dbraw/zinc/54/15/37/679541537.db2.gz XMSOEYBZMBACNP-FQEVSTJZSA-N 1 2 326.440 2.162 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)cc(C)cc3C)C2)C1 ZINC000972665555 679541539 /nfs/dbraw/zinc/54/15/39/679541539.db2.gz XMSOEYBZMBACNP-FQEVSTJZSA-N 1 2 326.440 2.162 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCC(C)=C(C)C3)C2)C1 ZINC000972697394 679625295 /nfs/dbraw/zinc/62/52/95/679625295.db2.gz WKPOPPUZDDTXIZ-PMACEKPBSA-N 1 2 330.472 2.450 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCC(C)=C(C)C3)C2)C1 ZINC000972697394 679625296 /nfs/dbraw/zinc/62/52/96/679625296.db2.gz WKPOPPUZDDTXIZ-PMACEKPBSA-N 1 2 330.472 2.450 20 30 EEEDLO CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cnsn1 ZINC000972832522 679816473 /nfs/dbraw/zinc/81/64/73/679816473.db2.gz JGTHLNNNNZXPEX-MRXNPFEDSA-N 1 2 340.452 2.030 20 30 EEEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cnsn1 ZINC000972832522 679816474 /nfs/dbraw/zinc/81/64/74/679816474.db2.gz JGTHLNNNNZXPEX-MRXNPFEDSA-N 1 2 340.452 2.030 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)CC1(C)C ZINC000972845157 679817894 /nfs/dbraw/zinc/81/78/94/679817894.db2.gz CUVOVESCHHIEGB-QGZVFWFLSA-N 1 2 337.423 2.475 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC1(C)C ZINC000972845157 679817895 /nfs/dbraw/zinc/81/78/95/679817895.db2.gz CUVOVESCHHIEGB-QGZVFWFLSA-N 1 2 337.423 2.475 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)oc1C ZINC001024400156 679889899 /nfs/dbraw/zinc/88/98/99/679889899.db2.gz SCUYMDWBXNLIBQ-MRXNPFEDSA-N 1 2 341.415 2.276 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)oc1C ZINC001024400156 679889900 /nfs/dbraw/zinc/88/99/00/679889900.db2.gz SCUYMDWBXNLIBQ-MRXNPFEDSA-N 1 2 341.415 2.276 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnc2nccnc2c1 ZINC001024482223 679957344 /nfs/dbraw/zinc/95/73/44/679957344.db2.gz BUXXNSFWGHJELA-AWEZNQCLSA-N 1 2 345.834 2.362 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cnc2nccnc2c1 ZINC001024482223 679957346 /nfs/dbraw/zinc/95/73/46/679957346.db2.gz BUXXNSFWGHJELA-AWEZNQCLSA-N 1 2 345.834 2.362 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccn(CC(F)F)n1 ZINC001024497581 679983887 /nfs/dbraw/zinc/98/38/87/679983887.db2.gz MTVYHPDKUJVVMX-LBPRGKRZSA-N 1 2 346.809 2.485 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn(CC(F)F)n1 ZINC001024497581 679983889 /nfs/dbraw/zinc/98/38/89/679983889.db2.gz MTVYHPDKUJVVMX-LBPRGKRZSA-N 1 2 346.809 2.485 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2n(n1)CCCO2 ZINC001024548103 680080215 /nfs/dbraw/zinc/08/02/15/680080215.db2.gz UVQNQAJLYZTNOE-ZDUSSCGKSA-N 1 2 338.839 2.002 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc2n(n1)CCCO2 ZINC001024548103 680080223 /nfs/dbraw/zinc/08/02/23/680080223.db2.gz UVQNQAJLYZTNOE-ZDUSSCGKSA-N 1 2 338.839 2.002 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]21 ZINC000974726718 685349409 /nfs/dbraw/zinc/34/94/09/685349409.db2.gz BQBRLDUIPJORQW-ARFHVFGLSA-N 1 2 344.459 2.106 20 30 EEEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1)C(=O)OC ZINC000894192771 681203230 /nfs/dbraw/zinc/20/32/30/681203230.db2.gz PIBVQAWRVGAXPW-BBWFWOEESA-N 1 2 325.449 2.306 20 30 EEEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnc([C@@H]2CCCO2)s1 ZINC001024696824 681355364 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1191288821 /nfs/dbraw/zinc/28/88/21/1191288821.db2.gz FTTQZMGJTGLWPC-HNNXBMFYSA-N 1 2 347.297 2.274 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001033362577 1194474924 /nfs/dbraw/zinc/47/49/24/1194474924.db2.gz MOQDWIHSXJEJHM-KGLIPLIRSA-N 1 2 336.867 2.125 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001033362577 1194474926 /nfs/dbraw/zinc/47/49/26/1194474926.db2.gz MOQDWIHSXJEJHM-KGLIPLIRSA-N 1 2 336.867 2.125 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cc(OC)no3)C2)CC1 ZINC001033388777 1194522221 /nfs/dbraw/zinc/52/22/21/1194522221.db2.gz DWIGUSNAYQVEAR-HNNXBMFYSA-N 1 2 333.432 2.462 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](Cc3cc(OC)no3)C2)CC1 ZINC001033388777 1194522224 /nfs/dbraw/zinc/52/22/24/1194522224.db2.gz DWIGUSNAYQVEAR-HNNXBMFYSA-N 1 2 333.432 2.462 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc(C(F)(F)F)c1C ZINC001018027869 1224230625 /nfs/dbraw/zinc/23/06/25/1224230625.db2.gz 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/nfs/dbraw/zinc/71/51/02/1223715102.db2.gz ARMBKVKLFGABOW-HNNXBMFYSA-N 1 2 342.374 2.307 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3F)C2)c1 ZINC001010455713 1223728037 /nfs/dbraw/zinc/72/80/37/1223728037.db2.gz AGEPRRMFBOUABZ-AWEZNQCLSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3F)C2)c1 ZINC001010455713 1223728040 /nfs/dbraw/zinc/72/80/40/1223728040.db2.gz AGEPRRMFBOUABZ-AWEZNQCLSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)c3ccc(F)cn3)C2)c1 ZINC001010722220 1223870276 /nfs/dbraw/zinc/87/02/76/1223870276.db2.gz ZZFOVNNYGSDUKX-OAHLLOKOSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(F)cn3)C2)c1 ZINC001010722220 1223870278 /nfs/dbraw/zinc/87/02/78/1223870278.db2.gz ZZFOVNNYGSDUKX-OAHLLOKOSA-N 1 2 342.349 2.236 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)c2coc(C)c2)C1 ZINC001010758085 1223892753 /nfs/dbraw/zinc/89/27/53/1223892753.db2.gz IAJCLPLCWUKKHW-QGZVFWFLSA-N 1 2 339.395 2.473 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)c2coc(C)c2)C1 ZINC001010758085 1223892755 /nfs/dbraw/zinc/89/27/55/1223892755.db2.gz IAJCLPLCWUKKHW-QGZVFWFLSA-N 1 2 339.395 2.473 20 30 EEEDLO Cc1cc[nH]c1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010835941 1223930557 /nfs/dbraw/zinc/93/05/57/1223930557.db2.gz YHTNETOJLKYWPI-OAHLLOKOSA-N 1 2 326.375 2.338 20 30 EEEDLO Cc1cc[nH]c1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010835941 1223930562 /nfs/dbraw/zinc/93/05/62/1223930562.db2.gz YHTNETOJLKYWPI-OAHLLOKOSA-N 1 2 326.375 2.338 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(N(C)C(C)=O)cc2)C1 ZINC001016374947 1226407828 /nfs/dbraw/zinc/40/78/28/1226407828.db2.gz JOVXUDDQKATOBK-HNNXBMFYSA-N 1 2 335.835 2.226 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N(C)C(C)=O)cc2)C1 ZINC001016374947 1226407833 /nfs/dbraw/zinc/40/78/33/1226407833.db2.gz JOVXUDDQKATOBK-HNNXBMFYSA-N 1 2 335.835 2.226 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC23CC[NH+](Cc2cnon2)CC3)CC1 ZINC001016808583 1226893860 /nfs/dbraw/zinc/89/38/60/1226893860.db2.gz XGOJTEGYWUBTIE-MRXNPFEDSA-N 1 2 330.432 2.287 20 30 EEEDLO N#CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(F)F)cc1 ZINC001017281974 1227299406 /nfs/dbraw/zinc/29/94/06/1227299406.db2.gz TVKKMXYXCKRESZ-OKILXGFUSA-N 1 2 335.354 2.029 20 30 EEEDLO N#CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(F)F)cc1 ZINC001017281974 1227299409 /nfs/dbraw/zinc/29/94/09/1227299409.db2.gz TVKKMXYXCKRESZ-OKILXGFUSA-N 1 2 335.354 2.029 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC001017768426 1227711589 /nfs/dbraw/zinc/71/15/89/1227711589.db2.gz BAXMDOFJANFGHB-SCTDSRPQSA-N 1 2 338.451 2.478 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC001017768426 1227711595 /nfs/dbraw/zinc/71/15/95/1227711595.db2.gz BAXMDOFJANFGHB-SCTDSRPQSA-N 1 2 338.451 2.478 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2ccnc2)cc1 ZINC001017774569 1227718073 /nfs/dbraw/zinc/71/80/73/1227718073.db2.gz SBRRDVDZSAUREG-KDURUIRLSA-N 1 2 334.423 2.184 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2ccnc2)cc1 ZINC001017774569 1227718079 /nfs/dbraw/zinc/71/80/79/1227718079.db2.gz SBRRDVDZSAUREG-KDURUIRLSA-N 1 2 334.423 2.184 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(C)(C)C(=C)C)C1=O ZINC001017793955 1227739850 /nfs/dbraw/zinc/73/98/50/1227739850.db2.gz FUVQWRJDSUQPBY-BBWFWOEESA-N 1 2 345.487 2.051 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(C)(C)C(=C)C)C1=O ZINC001017793955 1227739856 /nfs/dbraw/zinc/73/98/56/1227739856.db2.gz FUVQWRJDSUQPBY-BBWFWOEESA-N 1 2 345.487 2.051 20 30 EEEDLO C=CCOc1ccccc1C(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001019054969 1228681229 /nfs/dbraw/zinc/68/12/29/1228681229.db2.gz LIDWOEUJOGIMEA-ZDUSSCGKSA-N 1 2 344.440 2.107 20 30 EEEDLO CCc1nnc(C)cc1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038422122 1229804805 /nfs/dbraw/zinc/80/48/05/1229804805.db2.gz OGKICYXOEXTHAP-QGZVFWFLSA-N 1 2 349.438 2.223 20 30 EEEDLO CCc1nnc(C)cc1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038422122 1229804810 /nfs/dbraw/zinc/80/48/10/1229804810.db2.gz OGKICYXOEXTHAP-QGZVFWFLSA-N 1 2 349.438 2.223 20 30 EEEDLO CN(C)c1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)cn1 ZINC001038435855 1229818321 /nfs/dbraw/zinc/81/83/21/1229818321.db2.gz UXAMGSWXZSKIIS-GOSISDBHSA-N 1 2 349.438 2.024 20 30 EEEDLO CN(C)c1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)cn1 ZINC001038435855 1229818325 /nfs/dbraw/zinc/81/83/25/1229818325.db2.gz UXAMGSWXZSKIIS-GOSISDBHSA-N 1 2 349.438 2.024 20 30 EEEDLO CCCc1n[nH]cc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038440340 1229822388 /nfs/dbraw/zinc/82/23/88/1229822388.db2.gz CVHIVDFIJWILTC-INIZCTEOSA-N 1 2 337.427 2.238 20 30 EEEDLO CCCc1n[nH]cc1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038440340 1229822395 /nfs/dbraw/zinc/82/23/95/1229822395.db2.gz CVHIVDFIJWILTC-INIZCTEOSA-N 1 2 337.427 2.238 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccnc(OC)c2)cc1 ZINC001038579199 1229925680 /nfs/dbraw/zinc/92/56/80/1229925680.db2.gz UHJSJVVTFGLWTC-GOSISDBHSA-N 1 2 335.407 2.076 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccnc(OC)c2)cc1 ZINC001038579199 1229925683 /nfs/dbraw/zinc/92/56/83/1229925683.db2.gz UHJSJVVTFGLWTC-GOSISDBHSA-N 1 2 335.407 2.076 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC001038747240 1230018578 /nfs/dbraw/zinc/01/85/78/1230018578.db2.gz VUYSJKZFSPZOIM-JKSUJKDBSA-N 1 2 325.412 2.057 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC001038747240 1230018582 /nfs/dbraw/zinc/01/85/82/1230018582.db2.gz VUYSJKZFSPZOIM-JKSUJKDBSA-N 1 2 325.412 2.057 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ncc3n2CCCC3)c1 ZINC001039039028 1230255807 /nfs/dbraw/zinc/25/58/07/1230255807.db2.gz JUYOPTPBBZDPMW-KRWDZBQOSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ncc3n2CCCC3)c1 ZINC001039039028 1230255811 /nfs/dbraw/zinc/25/58/11/1230255811.db2.gz JUYOPTPBBZDPMW-KRWDZBQOSA-N 1 2 349.438 2.095 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(CC(C)C)[nH]1 ZINC001039375366 1230561698 /nfs/dbraw/zinc/56/16/98/1230561698.db2.gz AIJRZVVAOXMZDM-CVEARBPZSA-N 1 2 328.460 2.310 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(CC(C)C)[nH]1 ZINC001039375366 1230561702 /nfs/dbraw/zinc/56/17/02/1230561702.db2.gz AIJRZVVAOXMZDM-CVEARBPZSA-N 1 2 328.460 2.310 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc2ccnn21 ZINC001039383823 1230568545 /nfs/dbraw/zinc/56/85/45/1230568545.db2.gz PETJUFHAYRTLFF-KGLIPLIRSA-N 1 2 345.834 2.161 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc2ccnn21 ZINC001039383823 1230568551 /nfs/dbraw/zinc/56/85/51/1230568551.db2.gz PETJUFHAYRTLFF-KGLIPLIRSA-N 1 2 345.834 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2nc[nH]c2n1 ZINC001039392120 1230575780 /nfs/dbraw/zinc/57/57/80/1230575780.db2.gz FEPJCOVISDHQQS-OLZOCXBDSA-N 1 2 345.834 2.389 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2nc[nH]c2n1 ZINC001039392120 1230575783 /nfs/dbraw/zinc/57/57/83/1230575783.db2.gz FEPJCOVISDHQQS-OLZOCXBDSA-N 1 2 345.834 2.389 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2nccn2c1 ZINC001039405504 1230587820 /nfs/dbraw/zinc/58/78/20/1230587820.db2.gz WVQTYEHOKNTTIC-CABCVRRESA-N 1 2 345.834 2.161 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2nccn2c1 ZINC001039405504 1230587823 /nfs/dbraw/zinc/58/78/23/1230587823.db2.gz WVQTYEHOKNTTIC-CABCVRRESA-N 1 2 345.834 2.161 20 30 EEEDLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)s1 ZINC001041274011 1231491570 /nfs/dbraw/zinc/49/15/70/1231491570.db2.gz SAMVOGUGPLSJGX-FZKQIMNGSA-N 1 2 344.484 2.245 20 30 EEEDLO Cc1nnc([C@@H](C)[N@H+]2CC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)s1 ZINC001041274011 1231491573 /nfs/dbraw/zinc/49/15/73/1231491573.db2.gz SAMVOGUGPLSJGX-FZKQIMNGSA-N 1 2 344.484 2.245 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3nnc(CC)o3)C2)C1 ZINC001041542784 1231588590 /nfs/dbraw/zinc/58/85/90/1231588590.db2.gz FEFYDQKWIRTWTD-GOSISDBHSA-N 1 2 332.448 2.269 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](Cc3nnc(CC)o3)C2)C1 ZINC001041542784 1231588592 /nfs/dbraw/zinc/58/85/92/1231588592.db2.gz FEFYDQKWIRTWTD-GOSISDBHSA-N 1 2 332.448 2.269 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(OCC)no3)C[C@@H]21 ZINC001042155960 1231923815 /nfs/dbraw/zinc/92/38/15/1231923815.db2.gz FPJXUHBANCRQST-STQMWFEESA-N 1 2 339.823 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(OCC)no3)C[C@@H]21 ZINC001042155960 1231923817 /nfs/dbraw/zinc/92/38/17/1231923817.db2.gz FPJXUHBANCRQST-STQMWFEESA-N 1 2 339.823 2.362 20 30 EEEDLO C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1c1cccc(F)c1C#N ZINC001067542841 1249195812 /nfs/dbraw/zinc/19/58/12/1249195812.db2.gz OGSJLNAZGYDIGN-KGLIPLIRSA-N 1 2 341.390 2.068 20 30 EEEDLO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1c1cccc(F)c1C#N ZINC001067577234 1249261802 /nfs/dbraw/zinc/26/18/02/1249261802.db2.gz HNUTWXPPBCGUPS-STQMWFEESA-N 1 2 341.390 2.137 20 30 EEEDLO Cc1nc(N2CCC3(CCN(C(=O)C#CC4CC4)CC3)CC2)cc[nH+]1 ZINC001067628537 1249344691 /nfs/dbraw/zinc/34/46/91/1249344691.db2.gz XSWGJCGSGAJNHT-UHFFFAOYSA-N 1 2 338.455 2.407 20 30 EEEDLO Cc1ncoc1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046219850 1234567352 /nfs/dbraw/zinc/56/73/52/1234567352.db2.gz ZEMIASXFHQITRA-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ncoc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046219850 1234567355 /nfs/dbraw/zinc/56/73/55/1234567355.db2.gz ZEMIASXFHQITRA-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)c3nc(C)no3)C2)cc1 ZINC001046533062 1234914938 /nfs/dbraw/zinc/91/49/38/1234914938.db2.gz FFIVQQJATOYLPY-ORAYPTAESA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)c3nc(C)no3)C2)cc1 ZINC001046533062 1234914945 /nfs/dbraw/zinc/91/49/45/1234914945.db2.gz 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N#Cc1c(F)cccc1N1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001096237439 1236540910 /nfs/dbraw/zinc/54/09/10/1236540910.db2.gz IDKDSGADLJVPMP-CQSZACIVSA-N 1 2 341.390 2.138 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCC[NH+]1CCN(c2cccc(F)n2)CC1 ZINC001096294400 1237170656 /nfs/dbraw/zinc/17/06/56/1237170656.db2.gz ICGMYVWLPDULSB-HNNXBMFYSA-N 1 2 334.439 2.061 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncoc1-c1ccon1)C2 ZINC001096358369 1237617608 /nfs/dbraw/zinc/61/76/08/1237617608.db2.gz QSSCUTFVHVNVGH-WXHSDQCUSA-N 1 2 348.790 2.417 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncoc1-c1ccon1)C2 ZINC001096358369 1237617609 /nfs/dbraw/zinc/61/76/09/1237617609.db2.gz QSSCUTFVHVNVGH-WXHSDQCUSA-N 1 2 348.790 2.417 20 30 EEEDLO O=C(C(F)C(F)(F)F)N1C[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]2C1 ZINC001048833346 1238840221 /nfs/dbraw/zinc/84/02/21/1238840221.db2.gz NRFBHHQGSPSDSC-YIZRAAEISA-N 1 2 336.251 2.229 20 30 EEEDLO O=C(C(F)C(F)(F)F)N1C[C@@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2C1 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347.484 2.264 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001097879637 1245628129 /nfs/dbraw/zinc/62/81/29/1245628129.db2.gz ZSMDHQDYYLGCPF-SUJAAXHWSA-N 1 2 347.484 2.264 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)CCNc2cc(C)[nH+]c(C(C)C)n2)cn1 ZINC001101709035 1246157014 /nfs/dbraw/zinc/15/70/14/1246157014.db2.gz LQNMGLKYRVNNGM-UHFFFAOYSA-N 1 2 337.427 2.469 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCc3cc(F)ccc31)CCO2 ZINC001053342951 1246211088 /nfs/dbraw/zinc/21/10/88/1246211088.db2.gz RYLFBMIBIKTTTF-GOSISDBHSA-N 1 2 344.430 2.345 20 30 EEEDLO CCCC(=O)N1CC[C@H]([NH+]2CCN(Cc3ccc(C#N)s3)CC2)C1 ZINC001051970819 1246326118 /nfs/dbraw/zinc/32/61/18/1246326118.db2.gz NIKVHQLEPJMMTR-HNNXBMFYSA-N 1 2 346.500 2.138 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCC4(CC4)C3)C2)CC1 ZINC001052029281 1246393819 /nfs/dbraw/zinc/39/38/19/1246393819.db2.gz YSYXDCSYQBYYPF-OALUTQOASA-N 1 2 343.515 2.199 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc4c(o3)CCCC4)C2)CC1 ZINC001052035154 1246403241 /nfs/dbraw/zinc/40/32/41/1246403241.db2.gz BUBDZDZHKRTNGK-QGZVFWFLSA-N 1 2 343.471 2.177 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](F)Cc1ccccc1)CCO2 ZINC001053539975 1246450429 /nfs/dbraw/zinc/45/04/29/1246450429.db2.gz CDACFQUKUWZKGS-KRWDZBQOSA-N 1 2 332.419 2.057 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCC(C)(C)C3)C2)CC1 ZINC001052077260 1246453978 /nfs/dbraw/zinc/45/39/78/1246453978.db2.gz QACZBMMKLIMOPS-ZWKOTPCHSA-N 1 2 331.504 2.055 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)Cc3ccco3)C2)CC1 ZINC001052093213 1246472647 /nfs/dbraw/zinc/47/26/47/1246472647.db2.gz LQGNLOPJBVCLHT-QZTJIDSGSA-N 1 2 345.487 2.253 20 30 EEEDLO Cc1oc(C(C)C)cc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052104234 1246482809 /nfs/dbraw/zinc/48/28/09/1246482809.db2.gz XXWOXAWFWRPVSC-INIZCTEOSA-N 1 2 344.459 2.067 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc4c(c3)CCC=C4)C2)CC1 ZINC001052108162 1246489059 /nfs/dbraw/zinc/48/90/59/1246489059.db2.gz KHCGNZIWIFEXLC-OAQYLSRUSA-N 1 2 349.478 2.111 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccccc3Cl)C2)CC1 ZINC001052112357 1246493661 /nfs/dbraw/zinc/49/36/61/1246493661.db2.gz TXCHUBMFIBDROX-OAHLLOKOSA-N 1 2 333.863 2.358 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1[nH]nc3ccc(C)cc31)O2 ZINC001053624212 1246549297 /nfs/dbraw/zinc/54/92/97/1246549297.db2.gz MFQQWMIXCCMKJS-CQSZACIVSA-N 1 2 340.427 2.021 20 30 EEEDLO Cc1cc(NC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC001053653546 1246595537 /nfs/dbraw/zinc/59/55/37/1246595537.db2.gz OXBUDWVLKAQKOQ-YWPYICTPSA-N 1 2 327.432 2.329 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1sc(C)cc1OC)O2 ZINC001053674795 1246628219 /nfs/dbraw/zinc/62/82/19/1246628219.db2.gz WDVDDKOJGDAQLD-CYBMUJFWSA-N 1 2 336.457 2.214 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1sc(CC)nc1C)O2 ZINC001053675330 1246629829 /nfs/dbraw/zinc/62/98/29/1246629829.db2.gz LZVUFTGMPRHUQF-ZDUSSCGKSA-N 1 2 335.473 2.163 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1csc(Cl)n1)O2 ZINC001053685727 1246648215 /nfs/dbraw/zinc/64/82/15/1246648215.db2.gz YCIYOAXQXFVYLK-LLVKDONJSA-N 1 2 341.864 2.336 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1csc(C3CC3)n1)O2 ZINC001053703756 1246684337 /nfs/dbraw/zinc/68/43/37/1246684337.db2.gz MLTIVVHBNBLZBJ-CYBMUJFWSA-N 1 2 333.457 2.170 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1c(C)cccc1Cl)CO2 ZINC001053858527 1246919571 /nfs/dbraw/zinc/91/95/71/1246919571.db2.gz JMNUSKMTVWHQFW-HNNXBMFYSA-N 1 2 346.858 2.174 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1cccc(C)c1Cl)CO2 ZINC001053868422 1246939331 /nfs/dbraw/zinc/93/93/31/1246939331.db2.gz LKQYUBYPNQBBBE-MRXNPFEDSA-N 1 2 346.858 2.174 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCCC1(F)F)CO2 ZINC001053881150 1246959267 /nfs/dbraw/zinc/95/92/67/1246959267.db2.gz FMJAPEHUAOFSLH-UONOGXRCSA-N 1 2 328.403 2.348 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1Cc3ccc(F)cc31)CO2 ZINC001053908073 1246997075 /nfs/dbraw/zinc/99/70/75/1246997075.db2.gz JYGWTLWJGMVJLM-DOTOQJQBSA-N 1 2 330.403 2.001 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(CC)nc1C(C)C)CO2 ZINC001053941786 1247043213 /nfs/dbraw/zinc/04/32/13/1247043213.db2.gz FPUCQISHVNQYRF-HNNXBMFYSA-N 1 2 346.475 2.176 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1sc(CC)nc1C)CO2 ZINC001053953904 1247061051 /nfs/dbraw/zinc/06/10/51/1247061051.db2.gz CROXTXNWIVEJHR-ZDUSSCGKSA-N 1 2 335.473 2.163 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)c1ccccc1F)CO2 ZINC001053957273 1247066496 /nfs/dbraw/zinc/06/64/96/1247066496.db2.gz YHCKSYZYGNPMLR-OAHLLOKOSA-N 1 2 344.430 2.086 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)c1ccc(C)s1)CO2 ZINC001053980406 1247103930 /nfs/dbraw/zinc/10/39/30/1247103930.db2.gz NRSQVTJEEWVGII-LSDHHAIUSA-N 1 2 332.469 2.143 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1sccc1COC)CO2 ZINC001053981856 1247105461 /nfs/dbraw/zinc/10/54/61/1247105461.db2.gz WNCQSCKQJICDPU-CQSZACIVSA-N 1 2 336.457 2.044 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C)cc1OC)CO2 ZINC001053987853 1247111703 /nfs/dbraw/zinc/11/17/03/1247111703.db2.gz UXJHWYZJWNVLKA-OAHLLOKOSA-N 1 2 330.428 2.153 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C(C)C)cc1)CO2 ZINC001053992286 1247120407 /nfs/dbraw/zinc/12/04/07/1247120407.db2.gz MPKGFVKFZRNTGF-GOSISDBHSA-N 1 2 326.440 2.406 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)c1ccccc1C)CO2 ZINC001054023445 1247164408 /nfs/dbraw/zinc/16/44/08/1247164408.db2.gz ZDGAYSCBYDAPIO-KRWDZBQOSA-N 1 2 340.467 2.255 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1nccn1CC ZINC001054038903 1247195228 /nfs/dbraw/zinc/19/52/28/1247195228.db2.gz OASMOWAVHLAJEQ-SFHVURJKSA-N 1 2 336.439 2.083 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1nccn1CC ZINC001054038903 1247195230 /nfs/dbraw/zinc/19/52/30/1247195230.db2.gz OASMOWAVHLAJEQ-SFHVURJKSA-N 1 2 336.439 2.083 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc2nonc2c1 ZINC001054051291 1247240856 /nfs/dbraw/zinc/24/08/56/1247240856.db2.gz ZRRCVYONAONISR-KRWDZBQOSA-N 1 2 346.390 2.013 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc2nonc2c1 ZINC001054051291 1247240865 /nfs/dbraw/zinc/24/08/65/1247240865.db2.gz ZRRCVYONAONISR-KRWDZBQOSA-N 1 2 346.390 2.013 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001054053491 1247246650 /nfs/dbraw/zinc/24/66/50/1247246650.db2.gz WKLQERCWOKVTLL-KRWDZBQOSA-N 1 2 334.423 2.077 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001054053491 1247246660 /nfs/dbraw/zinc/24/66/60/1247246660.db2.gz WKLQERCWOKVTLL-KRWDZBQOSA-N 1 2 334.423 2.077 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc4nonc4c3)cc2C1 ZINC001054278704 1247989756 /nfs/dbraw/zinc/98/97/56/1247989756.db2.gz KYTXPMHNMWXJNF-UHFFFAOYSA-N 1 2 332.363 2.102 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4nonc4c3)cc2C1 ZINC001054278704 1247989764 /nfs/dbraw/zinc/98/97/64/1247989764.db2.gz KYTXPMHNMWXJNF-UHFFFAOYSA-N 1 2 332.363 2.102 20 30 EEEDLO Cc1nc(N2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)c(C)c(C)[nH+]1 ZINC001057855246 1247999708 /nfs/dbraw/zinc/99/97/08/1247999708.db2.gz QYVPHWJUHAUZOA-UHFFFAOYSA-N 1 2 338.415 2.000 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C3CC4(C3)CCOCC4)cc2C1 ZINC001054289399 1248020179 /nfs/dbraw/zinc/02/01/79/1248020179.db2.gz DSWXUZHRGOOXFZ-UHFFFAOYSA-N 1 2 338.451 2.458 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C3CC4(C3)CCOCC4)cc2C1 ZINC001054289399 1248020187 /nfs/dbraw/zinc/02/01/87/1248020187.db2.gz DSWXUZHRGOOXFZ-UHFFFAOYSA-N 1 2 338.451 2.458 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ncoc3-c3ccon3)cc2C1 ZINC001054290243 1248022621 /nfs/dbraw/zinc/02/26/21/1248022621.db2.gz HZPDCFLPMDRGTL-UHFFFAOYSA-N 1 2 348.362 2.208 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ncoc3-c3ccon3)cc2C1 ZINC001054290243 1248022630 /nfs/dbraw/zinc/02/26/30/1248022630.db2.gz HZPDCFLPMDRGTL-UHFFFAOYSA-N 1 2 348.362 2.208 20 30 EEEDLO C=CCCC(=O)NC1(CC)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001069397171 1252838137 /nfs/dbraw/zinc/83/81/37/1252838137.db2.gz YXGNVNHMESOIBG-HNNXBMFYSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCCC(=O)NC1(CC)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001069397171 1252838149 /nfs/dbraw/zinc/83/81/49/1252838149.db2.gz YXGNVNHMESOIBG-HNNXBMFYSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001069674479 1253120853 /nfs/dbraw/zinc/12/08/53/1253120853.db2.gz KVUCPQNIALSKDC-XKQJLSEDSA-N 1 2 344.459 2.097 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(F)c[nH]1)C[C@@H](C)O2 ZINC001071191212 1254035282 /nfs/dbraw/zinc/03/52/82/1254035282.db2.gz BVTQFSFWTRBAGP-WBMJQRKESA-N 1 2 341.814 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(F)c[nH]1)C[C@@H](C)O2 ZINC001071191212 1254035285 /nfs/dbraw/zinc/03/52/85/1254035285.db2.gz BVTQFSFWTRBAGP-WBMJQRKESA-N 1 2 341.814 2.212 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[N@@H+]1Cc1ccc(F)cn1 ZINC001071438511 1254185729 /nfs/dbraw/zinc/18/57/29/1254185729.db2.gz QISFGBATRHONRS-MLGOLLRUSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1Cc1ccc(F)cn1 ZINC001071438511 1254185734 /nfs/dbraw/zinc/18/57/34/1254185734.db2.gz QISFGBATRHONRS-MLGOLLRUSA-N 1 2 341.390 2.203 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001072719029 1255326974 /nfs/dbraw/zinc/32/69/74/1255326974.db2.gz ZGLSCBPIRRGGMF-UHFFFAOYSA-N 1 2 337.398 2.145 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001072719029 1255326980 /nfs/dbraw/zinc/32/69/80/1255326980.db2.gz ZGLSCBPIRRGGMF-UHFFFAOYSA-N 1 2 337.398 2.145 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC(C)(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001073032557 1255589033 /nfs/dbraw/zinc/58/90/33/1255589033.db2.gz MJVBCPPZXASKEJ-UHFFFAOYSA-N 1 2 346.475 2.442 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCCC[C@@H]2C[N@@H+](C)Cc2ccon2)c1 ZINC001074061774 1256638189 /nfs/dbraw/zinc/63/81/89/1256638189.db2.gz LHIIJPHHCDQNPS-GOSISDBHSA-N 1 2 338.411 2.178 20 30 EEEDLO 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1256904560 /nfs/dbraw/zinc/90/45/60/1256904560.db2.gz VPQPJKZBLUHDRH-ROUUACIJSA-N 1 2 340.427 2.054 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3coc4ccccc34)C[C@@H]21 ZINC001074419617 1257003544 /nfs/dbraw/zinc/00/35/44/1257003544.db2.gz OPPSVKKRVRITPB-HKUYNNGSSA-N 1 2 338.407 2.371 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3coc4ccccc34)C[C@@H]21 ZINC001074419617 1257003551 /nfs/dbraw/zinc/00/35/51/1257003551.db2.gz OPPSVKKRVRITPB-HKUYNNGSSA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(F)F)C1 ZINC001098674650 1257753826 /nfs/dbraw/zinc/75/38/26/1257753826.db2.gz WMSCTNUYSNDUCI-GUYCJALGSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(F)F)C1 ZINC001098674650 1257753829 /nfs/dbraw/zinc/75/38/29/1257753829.db2.gz WMSCTNUYSNDUCI-GUYCJALGSA-N 1 2 337.345 2.433 20 30 EEEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2nncn2C)C3)CC1 ZINC001099012004 1257934440 /nfs/dbraw/zinc/93/44/40/1257934440.db2.gz 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C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1n[nH]cc1C ZINC001153222108 1316793671 /nfs/dbraw/zinc/79/36/71/1316793671.db2.gz SCKROCDSZPZLRU-LLVKDONJSA-N 1 2 329.242 2.067 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001153327931 1316811796 /nfs/dbraw/zinc/81/17/96/1316811796.db2.gz XCJKLJYXHDBGNI-HUUCEWRRSA-N 1 2 345.418 2.062 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001153327931 1316811798 /nfs/dbraw/zinc/81/17/98/1316811798.db2.gz XCJKLJYXHDBGNI-HUUCEWRRSA-N 1 2 345.418 2.062 20 30 EEEDLO C[N@@H+]1CCc2nc(C(=O)N3CCc4cc(C#N)ccc4C3)sc2C1 ZINC001154216839 1316997396 /nfs/dbraw/zinc/99/73/96/1316997396.db2.gz OFBROSWZJCVGIN-UHFFFAOYSA-N 1 2 338.436 2.201 20 30 EEEDLO C[N@H+]1CCc2nc(C(=O)N3CCc4cc(C#N)ccc4C3)sc2C1 ZINC001154216839 1316997401 /nfs/dbraw/zinc/99/74/01/1316997401.db2.gz OFBROSWZJCVGIN-UHFFFAOYSA-N 1 2 338.436 2.201 20 30 EEEDLO C=C[C@H](O)CNc1ccc2c(c1)[nH+]c(CCCC(=O)OCC)n2C ZINC001253592800 1317889167 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348.418 2.432 20 30 EEEDLO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@@H]1[NH2+]C ZINC001156657805 1318143442 /nfs/dbraw/zinc/14/34/42/1318143442.db2.gz DLVAGXFWMYBZNH-SNVBAGLBSA-N 1 2 344.749 2.084 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(Cc4nc5ccccc5o4)C3)C2)cc1C#N ZINC001278854140 1318338096 /nfs/dbraw/zinc/33/80/96/1318338096.db2.gz XYBGJBDWFPWOIS-UHFFFAOYSA-N 1 2 347.422 2.356 20 30 EEEDLO N#Cc1cc(Cl)nnc1N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001158626266 1319343164 /nfs/dbraw/zinc/34/31/64/1319343164.db2.gz ZUMJQTVAOYBFKG-NSHDSACASA-N 1 2 327.766 2.311 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nocc1C ZINC001158950030 1319524476 /nfs/dbraw/zinc/52/44/76/1319524476.db2.gz YPOFBVQBHKITDF-HZPDHXFCSA-N 1 2 335.448 2.387 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nocc1C ZINC001158950030 1319524484 /nfs/dbraw/zinc/52/44/84/1319524484.db2.gz YPOFBVQBHKITDF-HZPDHXFCSA-N 1 2 335.448 2.387 20 30 EEEDLO CCS(=O)(=O)c1ccc(CNc2cc(C3(C#N)CC3)cc[nH+]2)cn1 ZINC001162031387 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C=CCOC[C@H]1C[N@H+](C[C@H]2CCC=CO2)Cc2nnn(CC3CC3)c21 ZINC001208877726 1324702174 /nfs/dbraw/zinc/70/21/74/1324702174.db2.gz CANJDLLQHXYWOP-IAGOWNOFSA-N 1 2 344.459 2.483 20 30 EEEDLO C=CCOC[C@H]1C[N@@H+](C[C@H]2CCC=CO2)Cc2nnn(CC3CC3)c21 ZINC001208877726 1324702178 /nfs/dbraw/zinc/70/21/78/1324702178.db2.gz CANJDLLQHXYWOP-IAGOWNOFSA-N 1 2 344.459 2.483 20 30 EEEDLO C[N@H+](CCNC(=O)[C@@]1(C)CCCOC1)Cc1ccc(C#N)cc1F ZINC001492475023 1331278161 /nfs/dbraw/zinc/27/81/61/1331278161.db2.gz JPGPYMSPFXYFRL-SFHVURJKSA-N 1 2 333.407 2.062 20 30 EEEDLO C[N@@H+](CCNC(=O)[C@@]1(C)CCCOC1)Cc1ccc(C#N)cc1F ZINC001492475023 1331278163 /nfs/dbraw/zinc/27/81/63/1331278163.db2.gz JPGPYMSPFXYFRL-SFHVURJKSA-N 1 2 333.407 2.062 20 30 EEEDLO CCOC(=O)[C@H](C[C@@H]1CCCO1)[NH2+]CCCOc1ccc(C#N)cc1 ZINC001308065908 1331561783 /nfs/dbraw/zinc/56/17/83/1331561783.db2.gz KMCNUGMZVPISHK-ROUUACIJSA-N 1 2 346.427 2.418 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)CCC)C1 ZINC001317934467 1332446152 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ZINC001753453020 1406744872 /nfs/dbraw/zinc/74/48/72/1406744872.db2.gz JTTKLWHWUZPDJD-HNNXBMFYSA-N 1 2 337.851 2.360 20 30 EEEDLO C=CCOCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001753453020 1406744884 /nfs/dbraw/zinc/74/48/84/1406744884.db2.gz JTTKLWHWUZPDJD-HNNXBMFYSA-N 1 2 337.851 2.360 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H](C[NH2+]Cc2nc([C@@H](C)OC)no2)C2CC2)C1 ZINC001754451297 1406908479 /nfs/dbraw/zinc/90/84/79/1406908479.db2.gz GDWHDZQMLIEWFK-OCCSQVGLSA-N 1 2 348.447 2.118 20 30 EEEDLO C#CCCCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1nccc(C)n1 ZINC001754866282 1406971980 /nfs/dbraw/zinc/97/19/80/1406971980.db2.gz WTSFAUJZYJZIBB-DLBZAZTESA-N 1 2 326.444 2.154 20 30 EEEDLO C#CCCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1nccc(C)n1 ZINC001754866282 1406971987 /nfs/dbraw/zinc/97/19/87/1406971987.db2.gz WTSFAUJZYJZIBB-DLBZAZTESA-N 1 2 326.444 2.154 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnn2c1nc(C)cc2C ZINC001422545715 1400005317 /nfs/dbraw/zinc/00/53/17/1400005317.db2.gz JDZWGOASQIXZBO-CYBMUJFWSA-N 1 2 335.839 2.149 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnn2c1nc(C)cc2C ZINC001422545715 1400005329 /nfs/dbraw/zinc/00/53/29/1400005329.db2.gz JDZWGOASQIXZBO-CYBMUJFWSA-N 1 2 335.839 2.149 20 30 EEEDLO COCC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](C)C(C)C ZINC001755075569 1407084849 /nfs/dbraw/zinc/08/48/49/1407084849.db2.gz JGHWZWRNQIJZOS-XLIONFOSSA-N 1 2 342.483 2.471 20 30 EEEDLO COCC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](C)C(C)C ZINC001755075569 1407084853 /nfs/dbraw/zinc/08/48/53/1407084853.db2.gz JGHWZWRNQIJZOS-XLIONFOSSA-N 1 2 342.483 2.471 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1c[nH]nc1-c1ccccn1 ZINC001422816336 1400208799 /nfs/dbraw/zinc/20/87/99/1400208799.db2.gz AKDZAFFLWBYTQO-GFCCVEGCSA-N 1 2 333.823 2.274 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1c[nH]nc1-c1ccccn1 ZINC001422816336 1400208802 /nfs/dbraw/zinc/20/88/02/1400208802.db2.gz AKDZAFFLWBYTQO-GFCCVEGCSA-N 1 2 333.823 2.274 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)COCC1CC1 ZINC001424688193 1401220488 /nfs/dbraw/zinc/22/04/88/1401220488.db2.gz PAXUZBBEOGRZHV-AWEZNQCLSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)COCC1CC1 ZINC001424688193 1401220493 /nfs/dbraw/zinc/22/04/93/1401220493.db2.gz PAXUZBBEOGRZHV-AWEZNQCLSA-N 1 2 345.281 2.244 20 30 EEEDLO Cn1c[nH+]cc1C1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC001424912812 1401304308 /nfs/dbraw/zinc/30/43/08/1401304308.db2.gz NRGPKQBBEZADDS-UHFFFAOYSA-N 1 2 344.440 2.001 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CNC(=O)CC1CCCCC1 ZINC001425071714 1401429491 /nfs/dbraw/zinc/42/94/91/1401429491.db2.gz HRBBPZGBAJVNMH-CQSZACIVSA-N 1 2 343.899 2.262 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CNC(=O)CC1CCCCC1 ZINC001425071714 1401429494 /nfs/dbraw/zinc/42/94/94/1401429494.db2.gz HRBBPZGBAJVNMH-CQSZACIVSA-N 1 2 343.899 2.262 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)CCCC)c1 ZINC001755294077 1407298311 /nfs/dbraw/zinc/29/83/11/1407298311.db2.gz XTTGGTJQTBHPRS-HNNXBMFYSA-N 1 2 329.444 2.233 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)CCCC)c1 ZINC001755294077 1407298316 /nfs/dbraw/zinc/29/83/16/1407298316.db2.gz XTTGGTJQTBHPRS-HNNXBMFYSA-N 1 2 329.444 2.233 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnsc2Cl)C1 ZINC001755469504 1407504919 /nfs/dbraw/zinc/50/49/19/1407504919.db2.gz SHUHPZNFWWGPHH-HAQNSBGRSA-N 1 2 340.880 2.370 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1nc(COC)no1 ZINC001755599696 1407671275 /nfs/dbraw/zinc/67/12/75/1407671275.db2.gz KQHLJXDZFIZLTJ-OLZOCXBDSA-N 1 2 338.452 2.316 20 30 EEEDLO C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2nc(C(F)F)no2)C(C)(C)C1 ZINC001755755043 1407812578 /nfs/dbraw/zinc/81/25/78/1407812578.db2.gz HCKDKMWCQLBDNZ-LLVKDONJSA-N 1 2 340.374 2.137 20 30 EEEDLO CN(C(=O)C#CC(C)(C)C)C1CC([NH2+]Cc2noc(C3CC3)n2)C1 ZINC001755857021 1407910179 /nfs/dbraw/zinc/91/01/79/1407910179.db2.gz WUXXLDKYJMKYMZ-UHFFFAOYSA-N 1 2 330.432 2.076 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC1(C)C ZINC001756178264 1408201742 /nfs/dbraw/zinc/20/17/42/1408201742.db2.gz ALWSJUFRLMBSLU-HNNXBMFYSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC1(C)C ZINC001756178264 1408201748 /nfs/dbraw/zinc/20/17/48/1408201748.db2.gz ALWSJUFRLMBSLU-HNNXBMFYSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001756228836 1408237551 /nfs/dbraw/zinc/23/75/51/1408237551.db2.gz MSJIYZZSIKEDIX-JKSUJKDBSA-N 1 2 346.475 2.436 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001756235521 1408245241 /nfs/dbraw/zinc/24/52/41/1408245241.db2.gz ZIBFSPCBBOFVLG-LSDHHAIUSA-N 1 2 346.475 2.488 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001756235521 1408245247 /nfs/dbraw/zinc/24/52/47/1408245247.db2.gz ZIBFSPCBBOFVLG-LSDHHAIUSA-N 1 2 346.475 2.488 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001756360362 1408370473 /nfs/dbraw/zinc/37/04/73/1408370473.db2.gz LQBDACWBWORPFH-UHFFFAOYSA-N 1 2 332.448 2.004 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001756360362 1408370481 /nfs/dbraw/zinc/37/04/81/1408370481.db2.gz LQBDACWBWORPFH-UHFFFAOYSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)CN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001756467087 1408635195 /nfs/dbraw/zinc/63/51/95/1408635195.db2.gz LJXPTYXVWIEFJR-IFXJQAMLSA-N 1 2 347.459 2.198 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC1CC(N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001756743770 1409276150 /nfs/dbraw/zinc/27/61/50/1409276150.db2.gz FIVOVSOYKFGOBM-GTPINHCMSA-N 1 2 346.475 2.371 20 30 EEEDLO C=CCCC(=O)NC[C@@H](C)N(CC)C(=O)c1cccc2[nH+]ccn21 ZINC001756848047 1409402969 /nfs/dbraw/zinc/40/29/69/1409402969.db2.gz MROHPOHJPFFZJY-CQSZACIVSA-N 1 2 328.416 2.267 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)CCCCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001756929858 1409518917 /nfs/dbraw/zinc/51/89/17/1409518917.db2.gz ZYVDDBMLIQVOSI-INIZCTEOSA-N 1 2 346.475 2.421 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001757495422 1409744942 /nfs/dbraw/zinc/74/49/42/1409744942.db2.gz HPFAGGOCDXGXAH-INIZCTEOSA-N 1 2 344.459 2.033 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001757552981 1409760887 /nfs/dbraw/zinc/76/08/87/1409760887.db2.gz VTKMRUJANCYOKC-HNNXBMFYSA-N 1 2 346.475 2.442 20 30 EEEDLO CN(C[C@H]1CC1(C)C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001772156257 1410065616 /nfs/dbraw/zinc/06/56/16/1410065616.db2.gz JDOWAOVFVDXVDT-OAHLLOKOSA-N 1 2 330.480 2.390 20 30 EEEDLO C#CCCCCCC(=O)NC[C@H](CO)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001122310552 1410273524 /nfs/dbraw/zinc/27/35/24/1410273524.db2.gz SJDZASAKOYCNLS-MRXNPFEDSA-N 1 2 346.475 2.381 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001122377600 1410275744 /nfs/dbraw/zinc/27/57/44/1410275744.db2.gz BAOIUAXXGHPCAB-ZFWWWQNUSA-N 1 2 332.448 2.154 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)C[C@@H]2CCCN2C(=O)[C@@H](C)C#N)c(C)[nH+]1 ZINC001002924649 1410412441 /nfs/dbraw/zinc/41/24/41/1410412441.db2.gz PDMHKVJUPAYSHM-BBRMVZONSA-N 1 2 342.443 2.230 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1CC)C2 ZINC001111848602 1410852548 /nfs/dbraw/zinc/85/25/48/1410852548.db2.gz MGHVSEADDHEWJL-GJYPPUQNSA-N 1 2 345.491 2.371 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1CC)C2 ZINC001111848602 1410852561 /nfs/dbraw/zinc/85/25/61/1410852561.db2.gz MGHVSEADDHEWJL-GJYPPUQNSA-N 1 2 345.491 2.371 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CCN(c3cc[nH+]c(C)n3)C[C@H]2C)CCC1 ZINC001112425090 1410915092 /nfs/dbraw/zinc/91/50/92/1410915092.db2.gz YGUIBZBSNVKUJW-GDBMZVCRSA-N 1 2 326.444 2.310 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)C[C@@H]2C)CCC1 ZINC001112425092 1410915867 /nfs/dbraw/zinc/91/58/67/1410915867.db2.gz YGUIBZBSNVKUJW-HOCLYGCPSA-N 1 2 326.444 2.310 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC(CC)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001069544751 1411057297 /nfs/dbraw/zinc/05/72/97/1411057297.db2.gz VYTDLKKDEGTNGA-HOTGVXAUSA-N 1 2 346.475 2.229 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3ccn4ccccc34)c2C1 ZINC001069867408 1411078241 /nfs/dbraw/zinc/07/82/41/1411078241.db2.gz PVSZKHWBVHZGJD-UHFFFAOYSA-N 1 2 349.438 2.458 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3ccn4ccccc34)c2C1 ZINC001069867408 1411078247 /nfs/dbraw/zinc/07/82/47/1411078247.db2.gz PVSZKHWBVHZGJD-UHFFFAOYSA-N 1 2 349.438 2.458 20 30 EEEDLO N#Cc1ccc(C[NH2+]CC2(CCNC(=O)c3[nH]ncc3F)CC2)s1 ZINC001167101866 757314328 /nfs/dbraw/zinc/31/43/28/757314328.db2.gz MBEPQRCMWPSPRE-UHFFFAOYSA-N 1 2 347.419 2.172 20 30 EEEDLO Cc1nc(NC[C@@H](C)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)ccc1C#N ZINC001104234123 757370323 /nfs/dbraw/zinc/37/03/23/757370323.db2.gz OYEZCSOJRBMUEB-CHWSQXEVSA-N 1 2 340.431 2.028 20 30 EEEDLO Cc1nc(NC[C@@H](C)CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)ccc1C#N ZINC001104234123 757370338 /nfs/dbraw/zinc/37/03/38/757370338.db2.gz OYEZCSOJRBMUEB-CHWSQXEVSA-N 1 2 340.431 2.028 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)Cc3cccc(C)c3)[C@H]2C1 ZINC001083216429 759595718 /nfs/dbraw/zinc/59/57/18/759595718.db2.gz ZBCGYVDAHGTRJT-SLFFLAALSA-N 1 2 340.467 2.109 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)Cc3cccc(C)c3)[C@H]2C1 ZINC001083216429 759595724 /nfs/dbraw/zinc/59/57/24/759595724.db2.gz ZBCGYVDAHGTRJT-SLFFLAALSA-N 1 2 340.467 2.109 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CN(c2cc(C)[nH+]c(CC)n2)CCO1 ZINC001104349620 759636421 /nfs/dbraw/zinc/63/64/21/759636421.db2.gz JCECHNNRLCEHIX-HNNXBMFYSA-N 1 2 346.475 2.271 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc(-c4ccoc4)s3)[C@H]2C1 ZINC001083217310 759643156 /nfs/dbraw/zinc/64/31/56/759643156.db2.gz RUUZHEIBQPQWLF-UONOGXRCSA-N 1 2 345.424 2.114 20 30 EEEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc(-c4ccoc4)s3)[C@H]2C1 ZINC001083217310 759643161 /nfs/dbraw/zinc/64/31/61/759643161.db2.gz RUUZHEIBQPQWLF-UONOGXRCSA-N 1 2 345.424 2.114 20 30 EEEDLO C=C(C)C(=O)NCCCNc1[nH+]cccc1CC(=O)OC(C)(C)C ZINC001167667008 760954964 /nfs/dbraw/zinc/95/49/64/760954964.db2.gz FMWUELXJSWXFTM-UHFFFAOYSA-N 1 2 333.432 2.460 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCC3CCCC3)C2)nn1 ZINC001098601245 764935339 /nfs/dbraw/zinc/93/53/39/764935339.db2.gz NKVMKVZSYLVFJC-SFHVURJKSA-N 1 2 343.475 2.135 20 30 EEEDLO C[C@@H](CNc1ccc(C#N)nc1)N(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001104801472 765315730 /nfs/dbraw/zinc/31/57/30/765315730.db2.gz ILFBYYYDFSJHHW-WFASDCNBSA-N 1 2 338.415 2.055 20 30 EEEDLO Cc1nc(NC[C@H](C)N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)ccc1C#N ZINC001104851245 765425608 /nfs/dbraw/zinc/42/56/08/765425608.db2.gz PCWPQHRKCAJHIQ-STQMWFEESA-N 1 2 340.431 2.122 20 30 EEEDLO Cc1nc(NC[C@H](C)N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)ccc1C#N ZINC001104851245 765425614 /nfs/dbraw/zinc/42/56/14/765425614.db2.gz PCWPQHRKCAJHIQ-STQMWFEESA-N 1 2 340.431 2.122 20 30 EEEDLO Cc1nc(NC[C@@H](CC(C)C)NC(=O)Cn2cc[nH+]c2)ccc1C#N ZINC001104953501 765651171 /nfs/dbraw/zinc/65/11/71/765651171.db2.gz XKEWRJYVMIUSHD-MRXNPFEDSA-N 1 2 340.431 2.101 20 30 EEEDLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)s1 ZINC001087961662 782645988 /nfs/dbraw/zinc/64/59/88/782645988.db2.gz DRDYSFXOQIHBDI-WQVCFCJDSA-N 1 2 344.484 2.101 20 30 EEEDLO Cc1nnc([C@@H](C)[N@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)s1 ZINC001087961662 782645990 /nfs/dbraw/zinc/64/59/90/782645990.db2.gz DRDYSFXOQIHBDI-WQVCFCJDSA-N 1 2 344.484 2.101 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2C)[C@H](C)C1 ZINC000942546549 782686915 /nfs/dbraw/zinc/68/69/15/782686915.db2.gz WIYDGCBSMBIOFW-RNCFNFMXSA-N 1 2 341.253 2.067 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2C)[C@H](C)C1 ZINC000942546549 782686916 /nfs/dbraw/zinc/68/69/16/782686916.db2.gz WIYDGCBSMBIOFW-RNCFNFMXSA-N 1 2 341.253 2.067 20 30 EEEDLO C=CCOc1ccc(CC(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)cc1 ZINC001031449865 768899270 /nfs/dbraw/zinc/89/92/70/768899270.db2.gz ALAPPGFQWPWSLU-LJQANCHMSA-N 1 2 344.455 2.163 20 30 EEEDLO CC(C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1ncc(C#N)cc1Cl ZINC001105294177 769606934 /nfs/dbraw/zinc/60/69/34/769606934.db2.gz NUKVVHFSSQURGI-CQSZACIVSA-N 1 2 346.822 2.125 20 30 EEEDLO CCO[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001031565579 769720218 /nfs/dbraw/zinc/72/02/18/769720218.db2.gz OMCJFLPSUCPKMH-QZTJIDSGSA-N 1 2 346.858 2.165 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](CNc2cc[nH+]c(C)n2)C(C)(C)C)nc1 ZINC001125962453 769780833 /nfs/dbraw/zinc/78/08/33/769780833.db2.gz BKQBHTQHNHKUHC-MRXNPFEDSA-N 1 2 337.427 2.418 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CN(c2cc[nH+]c(C)n2)CCCO1 ZINC001089558762 770340320 /nfs/dbraw/zinc/34/03/20/770340320.db2.gz WGJMNNGWKVIRNS-YJBOKZPZSA-N 1 2 332.448 2.099 20 30 EEEDLO C=C(Br)CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000155120253 770411737 /nfs/dbraw/zinc/41/17/37/770411737.db2.gz OTQAELRQYJUOMO-GFCCVEGCSA-N 1 2 326.194 2.153 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC001015795153 770498707 /nfs/dbraw/zinc/49/87/07/770498707.db2.gz RWYCGXUZSZJERX-GFCCVEGCSA-N 1 2 331.803 2.497 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC001015795153 770498712 /nfs/dbraw/zinc/49/87/12/770498712.db2.gz RWYCGXUZSZJERX-GFCCVEGCSA-N 1 2 331.803 2.497 20 30 EEEDLO CCc1[nH]ccc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031650272 770622386 /nfs/dbraw/zinc/62/23/86/770622386.db2.gz IAXKVLLKWBQWQK-UHFFFAOYSA-N 1 2 339.414 2.430 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(Cl)nc2)c[nH]1 ZINC001027832843 770985414 /nfs/dbraw/zinc/98/54/14/770985414.db2.gz KMOHVDMAMVKUKO-HNNXBMFYSA-N 1 2 343.818 2.329 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)nc2)c[nH]1 ZINC001027832843 770985426 /nfs/dbraw/zinc/98/54/26/770985426.db2.gz KMOHVDMAMVKUKO-HNNXBMFYSA-N 1 2 343.818 2.329 20 30 EEEDLO CCN(CCNc1nc(C)ccc1C#N)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001106987496 783071601 /nfs/dbraw/zinc/07/16/01/783071601.db2.gz KOIBTPCIUBEDTO-HUUCEWRRSA-N 1 2 338.415 2.049 20 30 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EEEDLO CS[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000980732271 775369120 /nfs/dbraw/zinc/36/91/20/775369120.db2.gz MBPZNSCDTDQKLI-CYBMUJFWSA-N 1 2 335.448 2.483 20 30 EEEDLO CC[C@H](OC)C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000980812226 775690054 /nfs/dbraw/zinc/69/00/54/775690054.db2.gz BXFIUJITLYXFOU-KRWDZBQOSA-N 1 2 333.407 2.157 20 30 EEEDLO CC[C@H](OC)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000980812226 775690058 /nfs/dbraw/zinc/69/00/58/775690058.db2.gz BXFIUJITLYXFOU-KRWDZBQOSA-N 1 2 333.407 2.157 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3=COCCC3)CC2)c(F)c1 ZINC000980819100 775701685 /nfs/dbraw/zinc/70/16/85/775701685.db2.gz NVRQUEFPHFQNFD-UHFFFAOYSA-N 1 2 343.402 2.426 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3=COCCC3)CC2)c(F)c1 ZINC000980819100 775701694 /nfs/dbraw/zinc/70/16/94/775701694.db2.gz NVRQUEFPHFQNFD-UHFFFAOYSA-N 1 2 343.402 2.426 20 30 EEEDLO C=CCC1(C(=O)NC[C@H]2C[C@@H](Nc3cc[nH+]c(C)n3)C2)CCOCC1 ZINC001091360075 790436553 /nfs/dbraw/zinc/43/65/53/790436553.db2.gz WINJLCXWPZJJHV-IYBDPMFKSA-N 1 2 344.459 2.465 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)C2CCC(O)CC2)CC1 ZINC000981070678 776473735 /nfs/dbraw/zinc/47/37/35/776473735.db2.gz WPGSYUSVFVGLJR-UHFFFAOYSA-N 1 2 341.455 2.144 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)C2CCC(O)CC2)CC1 ZINC000981070678 776473741 /nfs/dbraw/zinc/47/37/41/776473741.db2.gz WPGSYUSVFVGLJR-UHFFFAOYSA-N 1 2 341.455 2.144 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2cnn3ccccc23)CC1 ZINC000981357477 777218622 /nfs/dbraw/zinc/21/86/22/777218622.db2.gz KECRZIIJAXPBAL-UHFFFAOYSA-N 1 2 332.835 2.164 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2cnn3ccccc23)CC1 ZINC000981357477 777218629 /nfs/dbraw/zinc/21/86/29/777218629.db2.gz KECRZIIJAXPBAL-UHFFFAOYSA-N 1 2 332.835 2.164 20 30 EEEDLO C[C@H]1C[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)c(F)c3)CC2)CO1 ZINC000981485598 777497287 /nfs/dbraw/zinc/49/72/87/777497287.db2.gz FHKZKYYVSSFDSQ-YOEHRIQHSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@H]1C[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)CO1 ZINC000981485598 777497293 /nfs/dbraw/zinc/49/72/93/777497293.db2.gz FHKZKYYVSSFDSQ-YOEHRIQHSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3cc(C#N)ccc3F)CC2)CO1 ZINC000981490523 777511725 /nfs/dbraw/zinc/51/17/25/777511725.db2.gz LXCHLWWXKGHEBT-RHSMWYFYSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3cc(C#N)ccc3F)CC2)CO1 ZINC000981490523 777511730 /nfs/dbraw/zinc/51/17/30/777511730.db2.gz LXCHLWWXKGHEBT-RHSMWYFYSA-N 1 2 345.418 2.157 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@]34C[C@H]3CCC4)C2)cc1F ZINC001031859633 777641269 /nfs/dbraw/zinc/64/12/69/777641269.db2.gz JZOVXCCMFFCEBT-VQIMIIECSA-N 1 2 327.403 2.436 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3C)C2)C1 ZINC000981601072 777781389 /nfs/dbraw/zinc/78/13/89/777781389.db2.gz XJFVXMAVIJFROV-DGCLKSJQSA-N 1 2 327.266 2.475 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3C)C2)C1 ZINC000981601072 777781392 /nfs/dbraw/zinc/78/13/92/777781392.db2.gz XJFVXMAVIJFROV-DGCLKSJQSA-N 1 2 327.266 2.475 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212346986 777877096 /nfs/dbraw/zinc/87/70/96/777877096.db2.gz MRGRNFBXJWBNJY-QZTJIDSGSA-N 1 2 327.428 2.230 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212346986 777877103 /nfs/dbraw/zinc/87/71/03/777877103.db2.gz MRGRNFBXJWBNJY-QZTJIDSGSA-N 1 2 327.428 2.230 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1ccon1)C2 ZINC000981776404 778180765 /nfs/dbraw/zinc/18/07/65/778180765.db2.gz MLFALZJXEKJEGV-SJORKVTESA-N 1 2 345.443 2.080 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1ccon1)C2 ZINC000981776404 778180770 /nfs/dbraw/zinc/18/07/70/778180770.db2.gz MLFALZJXEKJEGV-SJORKVTESA-N 1 2 345.443 2.080 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)C1CC(C)C1 ZINC001038157421 778412643 /nfs/dbraw/zinc/41/26/43/778412643.db2.gz GQJRKLRIKKWMHK-PGEKIEPBSA-N 1 2 327.428 2.303 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)C1CC(C)C1 ZINC001038157421 778412648 /nfs/dbraw/zinc/41/26/48/778412648.db2.gz GQJRKLRIKKWMHK-PGEKIEPBSA-N 1 2 327.428 2.303 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)c1 ZINC000981923338 778539099 /nfs/dbraw/zinc/53/90/99/778539099.db2.gz QGLMFDACVIYWJO-UHFFFAOYSA-N 1 2 343.430 2.263 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)c1 ZINC000981923338 778539104 /nfs/dbraw/zinc/53/91/04/778539104.db2.gz QGLMFDACVIYWJO-UHFFFAOYSA-N 1 2 343.430 2.263 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@@H+](Cc1nnc(CC)o1)C2 ZINC000981937823 778587402 /nfs/dbraw/zinc/58/74/02/778587402.db2.gz OBIMYJNHVYBMGM-UHFFFAOYSA-N 1 2 332.448 2.269 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@H+](Cc1nnc(CC)o1)C2 ZINC000981937823 778587407 /nfs/dbraw/zinc/58/74/07/778587407.db2.gz OBIMYJNHVYBMGM-UHFFFAOYSA-N 1 2 332.448 2.269 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2ccccn2)c1 ZINC001028178498 778712612 /nfs/dbraw/zinc/71/26/12/778712612.db2.gz RQPDNLYQSTVABL-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2ccccn2)c1 ZINC001028178498 778712613 /nfs/dbraw/zinc/71/26/13/778712613.db2.gz RQPDNLYQSTVABL-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+]([C@H](C)c2cnccn2)CC1 ZINC000982173088 779226814 /nfs/dbraw/zinc/22/68/14/779226814.db2.gz BVRFUEUTHUCSNV-RYRKJORJSA-N 1 2 344.459 2.053 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+]([C@H](C)c2cnccn2)CC1 ZINC000982173088 779226819 /nfs/dbraw/zinc/22/68/19/779226819.db2.gz BVRFUEUTHUCSNV-RYRKJORJSA-N 1 2 344.459 2.053 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1nnn(C(C)C)c1C ZINC001028229320 779432377 /nfs/dbraw/zinc/43/23/77/779432377.db2.gz GWEFPPPCHFWYCO-CYBMUJFWSA-N 1 2 325.844 2.114 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nnn(C(C)C)c1C ZINC001028229320 779432382 /nfs/dbraw/zinc/43/23/82/779432382.db2.gz GWEFPPPCHFWYCO-CYBMUJFWSA-N 1 2 325.844 2.114 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000940891292 779470591 /nfs/dbraw/zinc/47/05/91/779470591.db2.gz ZCCPHWSCVPHBFX-GOSISDBHSA-N 1 2 332.448 2.006 20 30 EEEDLO CC(C)(C)C(=O)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001075625846 779875374 /nfs/dbraw/zinc/87/53/74/779875374.db2.gz ZQTPEKXCNYJUIY-SWLSCSKDSA-N 1 2 345.468 2.268 20 30 EEEDLO CC(C)(C)C(=O)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001075625846 779875383 /nfs/dbraw/zinc/87/53/83/779875383.db2.gz ZQTPEKXCNYJUIY-SWLSCSKDSA-N 1 2 345.468 2.268 20 30 EEEDLO Cc1noc2ncc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)cc12 ZINC000893918465 780305043 /nfs/dbraw/zinc/30/50/43/780305043.db2.gz LIDCPRFFCUDRBC-UHFFFAOYSA-N 1 2 334.383 2.120 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCCC3CCCC3)C2)nn1 ZINC001105378627 781165421 /nfs/dbraw/zinc/16/54/21/781165421.db2.gz HORKQOSFDQXWGT-UHFFFAOYSA-N 1 2 343.475 2.135 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@@H](CC)CCCC)C2)nn1 ZINC001098690024 781180826 /nfs/dbraw/zinc/18/08/26/781180826.db2.gz GBCBSPHSGYFUCJ-FUHWJXTLSA-N 1 2 345.491 2.381 20 30 EEEDLO CCN(CCNc1ccc(C#N)cn1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001106964100 781553646 /nfs/dbraw/zinc/55/36/46/781553646.db2.gz GXNSOAQGLZQJTK-CQSZACIVSA-N 1 2 326.404 2.061 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCCCC[C@@H]([NH2+]Cc2noc(C3CCC3)n2)C1 ZINC001088281735 783353808 /nfs/dbraw/zinc/35/38/08/783353808.db2.gz SBNKBUNMUNPKSX-DZGCQCFKSA-N 1 2 345.447 2.358 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC000945439749 784118427 /nfs/dbraw/zinc/11/84/27/784118427.db2.gz SLFBWQALMYMMNH-ZFWWWQNUSA-N 1 2 346.475 2.216 20 30 EEEDLO CO[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1)C1CCC1 ZINC001032546734 791024004 /nfs/dbraw/zinc/02/40/04/791024004.db2.gz XUQUPRPCRYZILV-GBESFXJTSA-N 1 2 339.439 2.158 20 30 EEEDLO CO[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1)C1CCC1 ZINC001032546734 791024015 /nfs/dbraw/zinc/02/40/15/791024015.db2.gz XUQUPRPCRYZILV-GBESFXJTSA-N 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ZINC001035458720 784510330 /nfs/dbraw/zinc/51/03/30/784510330.db2.gz LATAWSQCCOYMGK-INIZCTEOSA-N 1 2 329.444 2.274 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(F)c(Cl)c2F)C1 ZINC001035494377 784627955 /nfs/dbraw/zinc/62/79/55/784627955.db2.gz ZHFZTFUOUCHTFW-LLVKDONJSA-N 1 2 342.773 2.072 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccc(F)c(Cl)c2F)C1 ZINC001035494377 784627964 /nfs/dbraw/zinc/62/79/64/784627964.db2.gz ZHFZTFUOUCHTFW-LLVKDONJSA-N 1 2 342.773 2.072 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2scnc2C(C)(C)C)C1 ZINC001035538639 784643457 /nfs/dbraw/zinc/64/34/57/784643457.db2.gz RNVYPJZILKFCAF-CYBMUJFWSA-N 1 2 337.489 2.447 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2scnc2C(C)(C)C)C1 ZINC001035538639 784643465 /nfs/dbraw/zinc/64/34/65/784643465.db2.gz RNVYPJZILKFCAF-CYBMUJFWSA-N 1 2 337.489 2.447 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001035528817 784679821 /nfs/dbraw/zinc/67/98/21/784679821.db2.gz IZMDQBFVTRXIJA-HNNXBMFYSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001035528817 784679825 /nfs/dbraw/zinc/67/98/25/784679825.db2.gz IZMDQBFVTRXIJA-HNNXBMFYSA-N 1 2 326.799 2.486 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc3c(s2)CCCCC3)C1 ZINC001035596893 784751833 /nfs/dbraw/zinc/75/18/33/784751833.db2.gz HUFXDZPKCGEWGN-MRXNPFEDSA-N 1 2 346.496 2.471 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc3c(s2)CCCCC3)C1 ZINC001035596893 784751839 /nfs/dbraw/zinc/75/18/39/784751839.db2.gz HUFXDZPKCGEWGN-MRXNPFEDSA-N 1 2 346.496 2.471 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2csc3c2CC[C@H](C)C3)C1 ZINC001035602343 784763619 /nfs/dbraw/zinc/76/36/19/784763619.db2.gz ZRIIJCZFSOXMJS-LSDHHAIUSA-N 1 2 346.496 2.327 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2csc3c2CC[C@H](C)C3)C1 ZINC001035602343 784763623 /nfs/dbraw/zinc/76/36/23/784763623.db2.gz ZRIIJCZFSOXMJS-LSDHHAIUSA-N 1 2 346.496 2.327 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc3c(s2)CCCC3)C1 ZINC001035603584 784764396 /nfs/dbraw/zinc/76/43/96/784764396.db2.gz UIGQKHSUMNRBRY-OAHLLOKOSA-N 1 2 332.469 2.081 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc3c(s2)CCCC3)C1 ZINC001035603584 784764399 /nfs/dbraw/zinc/76/43/99/784764399.db2.gz UIGQKHSUMNRBRY-OAHLLOKOSA-N 1 2 332.469 2.081 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc3cnccc32)C1 ZINC001035605512 784767807 /nfs/dbraw/zinc/76/78/07/784767807.db2.gz GTGJGPHETOIWHE-MRXNPFEDSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccc3cnccc32)C1 ZINC001035605512 784767810 /nfs/dbraw/zinc/76/78/10/784767810.db2.gz GTGJGPHETOIWHE-MRXNPFEDSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCCc3ccccc32)C1 ZINC001035611819 784849986 /nfs/dbraw/zinc/84/99/86/784849986.db2.gz MDDZSKIHXRDCIK-HKUYNNGSSA-N 1 2 328.456 2.500 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCCc3ccccc32)C1 ZINC001035611819 784849993 /nfs/dbraw/zinc/84/99/93/784849993.db2.gz MDDZSKIHXRDCIK-HKUYNNGSSA-N 1 2 328.456 2.500 20 30 EEEDLO Cc1cc(C)c(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)c(C)[nH+]1 ZINC000907852754 784907012 /nfs/dbraw/zinc/90/70/12/784907012.db2.gz NVAQCZSTDFJTHK-UHFFFAOYSA-N 1 2 335.411 2.236 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCOC1)CC2 ZINC001035681134 784929651 /nfs/dbraw/zinc/92/96/51/784929651.db2.gz RGOBXBPOIUSOPQ-OAHLLOKOSA-N 1 2 326.868 2.480 20 30 EEEDLO Cc1nc(C[NH+]2CC3(C2)CCN(C(=O)C#CC2CC2)CC3)cs1 ZINC001035701208 784980256 /nfs/dbraw/zinc/98/02/56/784980256.db2.gz STXHNRHFHKHIID-UHFFFAOYSA-N 1 2 329.469 2.289 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cccc(C(N)=O)c1)CC2 ZINC001035734444 785041971 /nfs/dbraw/zinc/04/19/71/785041971.db2.gz GJOLPFUTICXIMZ-UHFFFAOYSA-N 1 2 347.846 2.076 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C1(CF)CCOCC1)CC2 ZINC001035795555 785145945 /nfs/dbraw/zinc/14/59/45/785145945.db2.gz WFIHVNZDJIGHML-UHFFFAOYSA-N 1 2 344.858 2.430 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CCc1ccc(=O)[nH]c1)CC2 ZINC001035776199 785159582 /nfs/dbraw/zinc/15/95/82/785159582.db2.gz MFSAZWVCXQHJQX-UHFFFAOYSA-N 1 2 349.862 2.397 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCO[C@H](C)C1)CC2 ZINC001035829182 785241566 /nfs/dbraw/zinc/24/15/66/785241566.db2.gz PIFJRTZIVQBYAA-CABCVRRESA-N 1 2 326.868 2.478 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3ccccc3n2C)[C@@H](O)C1 ZINC001090528250 785270731 /nfs/dbraw/zinc/27/07/31/785270731.db2.gz IAJQIGBBRMBRMQ-YOEHRIQHSA-N 1 2 347.846 2.096 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3n2C)[C@@H](O)C1 ZINC001090528250 785270739 /nfs/dbraw/zinc/27/07/39/785270739.db2.gz IAJQIGBBRMBRMQ-YOEHRIQHSA-N 1 2 347.846 2.096 20 30 EEEDLO Cc1cc(NC/C=C/CNC(=O)c2c[nH]c(C#N)c2)nc(C2CC2)[nH+]1 ZINC001107130679 785429897 /nfs/dbraw/zinc/42/98/97/785429897.db2.gz SZGKOHUHLZFCSA-NSCUHMNNSA-N 1 2 336.399 2.260 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)C[C@@H](C)CC)CC2)C1 ZINC001105705643 785811076 /nfs/dbraw/zinc/81/10/76/785811076.db2.gz JUJXSXQKTBFNPY-INIZCTEOSA-N 1 2 338.492 2.317 20 30 EEEDLO O=C(NCC[NH2+]CC#Cc1cccc(Cl)c1)C(F)C(F)(F)F ZINC001127731358 786207356 /nfs/dbraw/zinc/20/73/56/786207356.db2.gz NVSUIOHSWPYKEL-LBPRGKRZSA-N 1 2 336.716 2.298 20 30 EEEDLO O=C(NCC[NH2+]CC#Cc1cccc(Cl)c1)[C@H](F)C(F)(F)F ZINC001127731358 786207361 /nfs/dbraw/zinc/20/73/61/786207361.db2.gz NVSUIOHSWPYKEL-LBPRGKRZSA-N 1 2 336.716 2.298 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c(F)cc(F)cc2F)[C@H](O)C1 ZINC001090535213 786777086 /nfs/dbraw/zinc/77/70/86/786777086.db2.gz SPACQKBXOBAWGF-CHWSQXEVSA-N 1 2 348.752 2.021 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c(F)cc(F)cc2F)[C@H](O)C1 ZINC001090535213 786777097 /nfs/dbraw/zinc/77/70/97/786777097.db2.gz SPACQKBXOBAWGF-CHWSQXEVSA-N 1 2 348.752 2.021 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2C2CCC2)[C@H](O)C1 ZINC001090574666 787027334 /nfs/dbraw/zinc/02/73/34/787027334.db2.gz VQZAHFBSDVGUIM-LSDHHAIUSA-N 1 2 337.851 2.200 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2C2CCC2)[C@H](O)C1 ZINC001090574666 787027345 /nfs/dbraw/zinc/02/73/45/787027345.db2.gz VQZAHFBSDVGUIM-LSDHHAIUSA-N 1 2 337.851 2.200 20 30 EEEDLO Cc1ccc(C#N)c(NC/C=C\CNC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC001107545727 787570026 /nfs/dbraw/zinc/57/00/26/787570026.db2.gz LMYDZIDMJUMOHW-JZIMQPMSSA-N 1 2 338.415 2.194 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2csc(C(C)C)n2)[C@@H](O)C1 ZINC001090651742 787587013 /nfs/dbraw/zinc/58/70/13/787587013.db2.gz RKPZUZZQLKRSDX-YPMHNXCESA-N 1 2 343.880 2.184 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2csc(C(C)C)n2)[C@@H](O)C1 ZINC001090651742 787587017 /nfs/dbraw/zinc/58/70/17/787587017.db2.gz RKPZUZZQLKRSDX-YPMHNXCESA-N 1 2 343.880 2.184 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001062239102 787698488 /nfs/dbraw/zinc/69/84/88/787698488.db2.gz PMORWFZJJVARFC-DOTOQJQBSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001062239102 787698492 /nfs/dbraw/zinc/69/84/92/787698492.db2.gz PMORWFZJJVARFC-DOTOQJQBSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2coc3ccccc23)[C@H](O)C1 ZINC001090680362 787716854 /nfs/dbraw/zinc/71/68/54/787716854.db2.gz UTZWIVUPOBTLIP-JKSUJKDBSA-N 1 2 348.830 2.279 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2coc3ccccc23)[C@H](O)C1 ZINC001090680362 787716862 /nfs/dbraw/zinc/71/68/62/787716862.db2.gz UTZWIVUPOBTLIP-JKSUJKDBSA-N 1 2 348.830 2.279 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001062262839 787745834 /nfs/dbraw/zinc/74/58/34/787745834.db2.gz LPQFWMXJAFQSJT-BZUAXINKSA-N 1 2 344.459 2.367 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001062262839 787745839 /nfs/dbraw/zinc/74/58/39/787745839.db2.gz LPQFWMXJAFQSJT-BZUAXINKSA-N 1 2 344.459 2.367 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001062286462 787810627 /nfs/dbraw/zinc/81/06/27/787810627.db2.gz DCQHZGYJLFFRGE-IAGOWNOFSA-N 1 2 346.475 2.373 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)CCCN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001067513123 787816265 /nfs/dbraw/zinc/81/62/65/787816265.db2.gz SPOSVEVCWOOIRU-OAHLLOKOSA-N 1 2 346.475 2.252 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)CCCN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001067513123 787816279 /nfs/dbraw/zinc/81/62/79/787816279.db2.gz SPOSVEVCWOOIRU-OAHLLOKOSA-N 1 2 346.475 2.252 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001062315378 787875064 /nfs/dbraw/zinc/87/50/64/787875064.db2.gz UFMDAAKTYHSJPL-GOEBONIOSA-N 1 2 346.475 2.360 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001062331532 787906576 /nfs/dbraw/zinc/90/65/76/787906576.db2.gz URPLOMQHDWRDLH-OAHLLOKOSA-N 1 2 332.448 2.114 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(CC)c(CC)o2)[C@H](O)C1 ZINC001090731413 787947832 /nfs/dbraw/zinc/94/78/32/787947832.db2.gz RQYMOQRLKMCKKD-UONOGXRCSA-N 1 2 340.851 2.322 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(CC)c(CC)o2)[C@H](O)C1 ZINC001090731413 787947836 /nfs/dbraw/zinc/94/78/36/787947836.db2.gz RQYMOQRLKMCKKD-UONOGXRCSA-N 1 2 340.851 2.322 20 30 EEEDLO C[C@@]1(CNC(=O)C2CCC2)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107679263 788034174 /nfs/dbraw/zinc/03/41/74/788034174.db2.gz ZRLMFGYIVXUJLI-LJQANCHMSA-N 1 2 327.428 2.065 20 30 EEEDLO C[C@@]1(CNC(=O)C2CCC2)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107679263 788034181 /nfs/dbraw/zinc/03/41/81/788034181.db2.gz ZRLMFGYIVXUJLI-LJQANCHMSA-N 1 2 327.428 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2Cl)[C@@H](O)C1 ZINC001090779932 788232022 /nfs/dbraw/zinc/23/20/22/788232022.db2.gz GSKASONTDHFBSH-KGLIPLIRSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2Cl)[C@@H](O)C1 ZINC001090779932 788232024 /nfs/dbraw/zinc/23/20/24/788232024.db2.gz GSKASONTDHFBSH-KGLIPLIRSA-N 1 2 347.217 2.397 20 30 EEEDLO O=C1NC2(CCCCC2)C(=O)N1CCC/[NH+]=C/c1ccccc1O ZINC000912782435 788361216 /nfs/dbraw/zinc/36/12/16/788361216.db2.gz SCPJBCLZMNEVGO-CPNJWEJPSA-N 1 2 329.400 2.456 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2sccc2CC)[C@@H](O)C1 ZINC001090831445 788489808 /nfs/dbraw/zinc/48/98/08/788489808.db2.gz UKBXYSOCTBWWIJ-STQMWFEESA-N 1 2 328.865 2.228 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2sccc2CC)[C@@H](O)C1 ZINC001090831445 788489815 /nfs/dbraw/zinc/48/98/15/788489815.db2.gz UKBXYSOCTBWWIJ-STQMWFEESA-N 1 2 328.865 2.228 20 30 EEEDLO Cc1cnccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032391930 789015093 /nfs/dbraw/zinc/01/50/93/789015093.db2.gz DWDNVWVXIMSMMP-ROUUACIJSA-N 1 2 332.407 2.361 20 30 EEEDLO Cc1cnccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032391930 789015104 /nfs/dbraw/zinc/01/51/04/789015104.db2.gz DWDNVWVXIMSMMP-ROUUACIJSA-N 1 2 332.407 2.361 20 30 EEEDLO C=CCOCC(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001090955792 789156816 /nfs/dbraw/zinc/15/68/16/789156816.db2.gz FKWYCKQUEDRFCH-IUODEOHRSA-N 1 2 330.432 2.124 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC(OC2C[NH+](CCOCC)C2)CC1 ZINC001105717055 789199456 /nfs/dbraw/zinc/19/94/56/789199456.db2.gz MCZMQESPIMFEFJ-UHFFFAOYSA-N 1 2 338.492 2.317 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCCC[C@@H]2CNc2cc[nH+]c(C)n2)nc1 ZINC001060262482 789204264 /nfs/dbraw/zinc/20/42/64/789204264.db2.gz UVLHNGGDJZSFGD-MRXNPFEDSA-N 1 2 335.411 2.268 20 30 EEEDLO CCOC[C@H]1C[N@H+](Cc2cncc(C#N)c2)Cc2nn(CC)cc21 ZINC001144074747 789210137 /nfs/dbraw/zinc/21/01/37/789210137.db2.gz CKXRLUHVCJEEHN-MRXNPFEDSA-N 1 2 325.416 2.306 20 30 EEEDLO CCOC[C@H]1C[N@@H+](Cc2cncc(C#N)c2)Cc2nn(CC)cc21 ZINC001144074747 789210145 /nfs/dbraw/zinc/21/01/45/789210145.db2.gz CKXRLUHVCJEEHN-MRXNPFEDSA-N 1 2 325.416 2.306 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC001006021174 789305297 /nfs/dbraw/zinc/30/52/97/789305297.db2.gz ZRPMBMQEFCSSAI-SJORKVTESA-N 1 2 347.459 2.305 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C(C)C ZINC001109769840 805953883 /nfs/dbraw/zinc/95/38/83/805953883.db2.gz XVHWYONOSWVKOJ-YVSFHVDLSA-N 1 2 349.519 2.471 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C(C)C ZINC001109769840 805953886 /nfs/dbraw/zinc/95/38/86/805953886.db2.gz XVHWYONOSWVKOJ-YVSFHVDLSA-N 1 2 349.519 2.471 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCO[C@H](C)CC(C)C)C1 ZINC001107938248 789407340 /nfs/dbraw/zinc/40/73/40/789407340.db2.gz MCAODWCEJVYTIC-SJLPKXTDSA-N 1 2 326.481 2.221 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCO[C@H](C)CC(C)C)C1 ZINC001107938248 789407344 /nfs/dbraw/zinc/40/73/44/789407344.db2.gz MCAODWCEJVYTIC-SJLPKXTDSA-N 1 2 326.481 2.221 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCO[C@@H](C)CC(C)C)C1 ZINC001107939482 789499508 /nfs/dbraw/zinc/49/95/08/789499508.db2.gz CRFVHXBDSFIOOM-PKOBYXMFSA-N 1 2 338.492 2.058 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCO[C@@H](C)CC(C)C)C1 ZINC001107939482 789499518 /nfs/dbraw/zinc/49/95/18/789499518.db2.gz CRFVHXBDSFIOOM-PKOBYXMFSA-N 1 2 338.492 2.058 20 30 EEEDLO C=C(C)CCC(=O)N1CCO[C@@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@@H]21 ZINC001091053759 789582306 /nfs/dbraw/zinc/58/23/06/789582306.db2.gz YKMNPHQGCFHEJM-DLBZAZTESA-N 1 2 344.459 2.174 20 30 EEEDLO C=CCn1cccc1C(=O)NCC1CC([NH2+][C@H](C)c2noc(C)n2)C1 ZINC001091068013 789676787 /nfs/dbraw/zinc/67/67/87/789676787.db2.gz BHLHQZBVYGDKEQ-LRVUVFPRSA-N 1 2 343.431 2.225 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c(C)cccc2Cl)C1 ZINC001108184399 789742510 /nfs/dbraw/zinc/74/25/10/789742510.db2.gz PHXHVQJLWAVEAU-SFHVURJKSA-N 1 2 334.847 2.492 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c(C)cccc2Cl)C1 ZINC001108184399 789742513 /nfs/dbraw/zinc/74/25/13/789742513.db2.gz PHXHVQJLWAVEAU-SFHVURJKSA-N 1 2 334.847 2.492 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)CCCC(=O)c2cccc(OC)c2)C1 ZINC000923559340 789768663 /nfs/dbraw/zinc/76/86/63/789768663.db2.gz KUOJGUPYLNRZCI-KRWDZBQOSA-N 1 2 342.439 2.262 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)CCCC(=O)c2cccc(OC)c2)C1 ZINC000923559340 789768669 /nfs/dbraw/zinc/76/86/69/789768669.db2.gz KUOJGUPYLNRZCI-KRWDZBQOSA-N 1 2 342.439 2.262 20 30 EEEDLO C=CC1(CC(=O)NC[C@H](O)CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001105891559 789969062 /nfs/dbraw/zinc/96/90/62/789969062.db2.gz GGLKUUKQCSOJLJ-OAHLLOKOSA-N 1 2 332.448 2.201 20 30 EEEDLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCN(c2ncccc2C#N)C1 ZINC001063066444 790171934 /nfs/dbraw/zinc/17/19/34/790171934.db2.gz OECFUGOLPDAYEM-HNNXBMFYSA-N 1 2 346.394 2.180 20 30 EEEDLO C[C@H](CC(=O)NCC1(NC(=O)C#CC(C)(C)C)CCC1)n1cc[nH+]c1 ZINC001063072083 790191114 /nfs/dbraw/zinc/19/11/14/790191114.db2.gz LCHUCDNHXRRARX-OAHLLOKOSA-N 1 2 344.459 2.039 20 30 EEEDLO CC(C)(C(=O)N1CCC[C@@H]1CNc1ccc(C#N)cn1)c1c[nH+]c[nH]1 ZINC001063500428 791161790 /nfs/dbraw/zinc/16/17/90/791161790.db2.gz YWQLNYOORSHWGR-CQSZACIVSA-N 1 2 338.415 2.057 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc(C)oc2C)[C@@H]1C ZINC001088914191 791511972 /nfs/dbraw/zinc/51/19/72/791511972.db2.gz OOQLOWPCBFGKKU-JHMUCCBASA-N 1 2 347.459 2.352 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)oc2C)[C@@H]1C ZINC001088914191 791511978 /nfs/dbraw/zinc/51/19/78/791511978.db2.gz OOQLOWPCBFGKKU-JHMUCCBASA-N 1 2 347.459 2.352 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccn(C3CCCC3)n2)C1 ZINC001107976843 791660469 /nfs/dbraw/zinc/66/04/69/791660469.db2.gz AUHXMPFRNIMJOA-SFHVURJKSA-N 1 2 332.448 2.005 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccn(C3CCCC3)n2)C1 ZINC001107976843 791660482 /nfs/dbraw/zinc/66/04/82/791660482.db2.gz AUHXMPFRNIMJOA-SFHVURJKSA-N 1 2 332.448 2.005 20 30 EEEDLO CO[C@H](C)CC(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147217451 791757697 /nfs/dbraw/zinc/75/76/97/791757697.db2.gz CRVSDAORVREJJF-CQSZACIVSA-N 1 2 345.418 2.157 20 30 EEEDLO CO[C@H](C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147217451 791757700 /nfs/dbraw/zinc/75/77/00/791757700.db2.gz CRVSDAORVREJJF-CQSZACIVSA-N 1 2 345.418 2.157 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nccc(C)n1)C2 ZINC001147374912 791804785 /nfs/dbraw/zinc/80/47/85/791804785.db2.gz VEFWPGRDIHPROQ-UHFFFAOYSA-N 1 2 326.444 2.013 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nccc(C)n1)C2 ZINC001147374912 791804791 /nfs/dbraw/zinc/80/47/91/791804791.db2.gz VEFWPGRDIHPROQ-UHFFFAOYSA-N 1 2 326.444 2.013 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2c(C)nn(CC)c2C)[C@H]1C ZINC001088985570 791822039 /nfs/dbraw/zinc/82/20/39/791822039.db2.gz GLLRGQHEKLHNNF-ZBFHGGJFSA-N 1 2 338.883 2.394 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2c(C)nn(CC)c2C)[C@H]1C ZINC001088985570 791822043 /nfs/dbraw/zinc/82/20/43/791822043.db2.gz GLLRGQHEKLHNNF-ZBFHGGJFSA-N 1 2 338.883 2.394 20 30 EEEDLO C#CCOCCC(=O)N1CCC[C@H](C)[C@H]1CCNc1cc[nH+]c(C)n1 ZINC001091660062 791948134 /nfs/dbraw/zinc/94/81/34/791948134.db2.gz MVVGQNMHDKYOHJ-DOTOQJQBSA-N 1 2 344.459 2.254 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC1(CNC(=O)CCc2[nH+]ccn2C)CCC1 ZINC001063969722 792031666 /nfs/dbraw/zinc/03/16/66/792031666.db2.gz MBRJYMIEXGVPKC-HNNXBMFYSA-N 1 2 346.475 2.110 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC2(C1)CC[N@H+](Cc1cscn1)C2 ZINC001147987115 792110233 /nfs/dbraw/zinc/11/02/33/792110233.db2.gz YCSILSNOXQCMES-QGZVFWFLSA-N 1 2 349.500 2.406 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC2(C1)CC[N@@H+](Cc1cscn1)C2 ZINC001147987115 792110239 /nfs/dbraw/zinc/11/02/39/792110239.db2.gz YCSILSNOXQCMES-QGZVFWFLSA-N 1 2 349.500 2.406 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC1(NC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001064069357 792271226 /nfs/dbraw/zinc/27/12/26/792271226.db2.gz LDCQTLBBQUDULG-JKSUJKDBSA-N 1 2 346.475 2.277 20 30 EEEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2ncc(C(C)(C)C)o2)cn1 ZINC001148389777 792369948 /nfs/dbraw/zinc/36/99/48/792369948.db2.gz UKOHYVSTFSPZHW-CYBMUJFWSA-N 1 2 340.427 2.429 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncnn1C(C)C)C2 ZINC001148357810 792387445 /nfs/dbraw/zinc/38/74/45/792387445.db2.gz RKAFVXCWESKMGX-UHFFFAOYSA-N 1 2 345.491 2.496 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncnn1C(C)C)C2 ZINC001148357810 792387452 /nfs/dbraw/zinc/38/74/52/792387452.db2.gz RKAFVXCWESKMGX-UHFFFAOYSA-N 1 2 345.491 2.496 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cc2n(n1)CCCC2 ZINC001089139756 792609784 /nfs/dbraw/zinc/60/97/84/792609784.db2.gz MFQWBZFAPANYLC-QAPCUYQASA-N 1 2 343.475 2.192 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1cc2n(n1)CCCC2 ZINC001089139756 792609791 /nfs/dbraw/zinc/60/97/91/792609791.db2.gz MFQWBZFAPANYLC-QAPCUYQASA-N 1 2 343.475 2.192 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3cnn(CC)n3)C[C@@]2(C)C1 ZINC001091978100 793490795 /nfs/dbraw/zinc/49/07/95/793490795.db2.gz IGWRYVONTGXKRF-LZQZEXGQSA-N 1 2 345.491 2.181 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3cnn(CC)n3)C[C@@]2(C)C1 ZINC001091978100 793490801 /nfs/dbraw/zinc/49/08/01/793490801.db2.gz IGWRYVONTGXKRF-LZQZEXGQSA-N 1 2 345.491 2.181 20 30 EEEDLO C[C@H]1C[C@@H](Nc2ccc(C#N)cn2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001064772676 793706631 /nfs/dbraw/zinc/70/66/31/793706631.db2.gz PGEOZEDWGANUAA-ZFWWWQNUSA-N 1 2 338.415 2.101 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)C[C@@H]2C)c1 ZINC001064825026 793840033 /nfs/dbraw/zinc/84/00/33/793840033.db2.gz CRYQQIWVFJPJGO-SUMWQHHRSA-N 1 2 335.411 2.267 20 30 EEEDLO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(-c4nnc[nH]4)cc3)CCC[C@@H]12 ZINC000992375442 793871592 /nfs/dbraw/zinc/87/15/92/793871592.db2.gz ABFRALZPSSNWRD-XLIONFOSSA-N 1 2 349.438 2.222 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1C=CCCC1)c1nccn12 ZINC001092378589 793872694 /nfs/dbraw/zinc/87/26/94/793872694.db2.gz OWDXRBXJOHJXNY-JKSUJKDBSA-N 1 2 326.444 2.387 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC1(C)C)c1nccn12 ZINC001092386189 793881833 /nfs/dbraw/zinc/88/18/33/793881833.db2.gz FNLRDRWNFVMJRP-LSDHHAIUSA-N 1 2 328.460 2.467 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc[nH]c1C1CC1)c1nccn12 ZINC001092390567 793887563 /nfs/dbraw/zinc/88/75/63/793887563.db2.gz BDYCTYZCNKNKPP-HNNXBMFYSA-N 1 2 337.427 2.160 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc3[nH]ccc31)c1nccn12 ZINC001092400157 793901129 /nfs/dbraw/zinc/90/11/29/793901129.db2.gz YIDKQHROOKNFDV-KRWDZBQOSA-N 1 2 347.422 2.436 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)c3conc3COC)CCC[C@H]12 ZINC000992413672 794013223 /nfs/dbraw/zinc/01/32/23/794013223.db2.gz JINXBGAFLBDPOC-HOCLYGCPSA-N 1 2 339.823 2.300 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)c3conc3COC)CCC[C@H]12 ZINC000992413672 794013233 /nfs/dbraw/zinc/01/32/33/794013233.db2.gz JINXBGAFLBDPOC-HOCLYGCPSA-N 1 2 339.823 2.300 20 30 EEEDLO C=C(C)[C@H](CC(=O)N1CC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21)OCC ZINC001090341789 794055001 /nfs/dbraw/zinc/05/50/01/794055001.db2.gz JKBCTWSQZPLXIN-BBWFWOEESA-N 1 2 344.459 2.193 20 30 EEEDLO Cc1nsc(NC[C@@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)c1C#N ZINC001065034208 794122410 /nfs/dbraw/zinc/12/24/10/794122410.db2.gz IPHJSFYYVBZBDM-ZDUSSCGKSA-N 1 2 344.444 2.082 20 30 EEEDLO Cc1nsc(NC[C@@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)c1C#N ZINC001065034208 794122415 /nfs/dbraw/zinc/12/24/15/794122415.db2.gz IPHJSFYYVBZBDM-ZDUSSCGKSA-N 1 2 344.444 2.082 20 30 EEEDLO COc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)o1 ZINC001032697949 794139459 /nfs/dbraw/zinc/13/94/59/794139459.db2.gz XVSLTCVKICVOIH-HOTGVXAUSA-N 1 2 337.379 2.259 20 30 EEEDLO COc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)o1 ZINC001032697949 794139463 /nfs/dbraw/zinc/13/94/63/794139463.db2.gz XVSLTCVKICVOIH-HOTGVXAUSA-N 1 2 337.379 2.259 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(Cl)cnn2CC)C1 ZINC001079761155 795173198 /nfs/dbraw/zinc/17/31/98/795173198.db2.gz UFKSSGDIVUHNLP-BXKDBHETSA-N 1 2 331.247 2.359 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c(Cl)cnn2CC)C1 ZINC001079761155 795173202 /nfs/dbraw/zinc/17/32/02/795173202.db2.gz UFKSSGDIVUHNLP-BXKDBHETSA-N 1 2 331.247 2.359 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC1CC2(C1)CC(Nc1cc[nH+]c(C)n1)C2 ZINC001093433787 795192872 /nfs/dbraw/zinc/19/28/72/795192872.db2.gz BJVPFMQBARYZJZ-VOZVFBJVSA-N 1 2 330.432 2.215 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CCC)c1C1CC1 ZINC001032722812 795247726 /nfs/dbraw/zinc/24/77/26/795247726.db2.gz GMXATZDLYHAMGS-HOTGVXAUSA-N 1 2 326.444 2.093 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CCC)c1C1CC1 ZINC001032722812 795247732 /nfs/dbraw/zinc/24/77/32/795247732.db2.gz GMXATZDLYHAMGS-HOTGVXAUSA-N 1 2 326.444 2.093 20 30 EEEDLO Cc1cc(NCCOCCN(C)C(=O)C#CC(C)C)nc(C(C)C)[nH+]1 ZINC001127315732 795352680 /nfs/dbraw/zinc/35/26/80/795352680.db2.gz RFLBRRCJUKJWQC-UHFFFAOYSA-N 1 2 346.475 2.455 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)Cc3cnccc3C)CC2)C1 ZINC001093543149 795354125 /nfs/dbraw/zinc/35/41/25/795354125.db2.gz JFRMFRWDGXWVME-UHFFFAOYSA-N 1 2 343.471 2.200 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccc(F)cc3F)CC2)C1 ZINC001093594964 795387216 /nfs/dbraw/zinc/38/72/16/795387216.db2.gz CURCTAVLWGWTRV-UHFFFAOYSA-N 1 2 336.382 2.456 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCO[C@H](C)C3)CC2)C1 ZINC001093584694 795397307 /nfs/dbraw/zinc/39/73/07/795397307.db2.gz CDVVQBPUWZDLPE-HZPDHXFCSA-N 1 2 336.476 2.069 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c(C)nn(C)c2Cl)C1 ZINC001080219619 795723390 /nfs/dbraw/zinc/72/33/90/795723390.db2.gz MNQZAXKCMJOFPN-LDYMZIIASA-N 1 2 331.247 2.185 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(C)nn(C)c2Cl)C1 ZINC001080219619 795723392 /nfs/dbraw/zinc/72/33/92/795723392.db2.gz MNQZAXKCMJOFPN-LDYMZIIASA-N 1 2 331.247 2.185 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H](C)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106537669 795789744 /nfs/dbraw/zinc/78/97/44/795789744.db2.gz PFRBSGSSGQSPRQ-CABCVRRESA-N 1 2 345.491 2.374 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H](C)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106537669 795789747 /nfs/dbraw/zinc/78/97/47/795789747.db2.gz PFRBSGSSGQSPRQ-CABCVRRESA-N 1 2 345.491 2.374 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)CCNc1[nH+]cnc2c1cnn2C ZINC001106552842 795816533 /nfs/dbraw/zinc/81/65/33/795816533.db2.gz HULCUKUKWHIYOY-YVEFUNNKSA-N 1 2 330.436 2.272 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CCCOC2)s1 ZINC001032787328 795821013 /nfs/dbraw/zinc/82/10/13/795821013.db2.gz KCGCDDBHVZLKQO-KKUMJFAQSA-N 1 2 345.468 2.222 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CCCOC2)s1 ZINC001032787328 795821023 /nfs/dbraw/zinc/82/10/23/795821023.db2.gz KCGCDDBHVZLKQO-KKUMJFAQSA-N 1 2 345.468 2.222 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)[C@H]2C)ncn1 ZINC000993205899 795911697 /nfs/dbraw/zinc/91/16/97/795911697.db2.gz IFYXIUCGBNIOHM-MAUKXSAKSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)[C@H]2C)ncn1 ZINC000993205899 795911706 /nfs/dbraw/zinc/91/17/06/795911706.db2.gz IFYXIUCGBNIOHM-MAUKXSAKSA-N 1 2 349.438 2.440 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc(OC)no3)C[C@H]2C)CC1 ZINC001080391510 795935726 /nfs/dbraw/zinc/93/57/26/795935726.db2.gz KYFUADAZTJEXCP-CZUORRHYSA-N 1 2 333.432 2.366 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cc(OC)no3)C[C@H]2C)CC1 ZINC001080391510 795935733 /nfs/dbraw/zinc/93/57/33/795935733.db2.gz KYFUADAZTJEXCP-CZUORRHYSA-N 1 2 333.432 2.366 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3(CC)CCCCC3)C2)nn1 ZINC001098789451 796079332 /nfs/dbraw/zinc/07/93/32/796079332.db2.gz CPXWSKAPWAMORR-KRWDZBQOSA-N 1 2 343.475 2.135 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cccc(Cl)c3F)nn2)C1 ZINC001094313900 796079887 /nfs/dbraw/zinc/07/98/87/796079887.db2.gz HWARMMUNGBUYSU-UHFFFAOYSA-N 1 2 349.797 2.043 20 30 EEEDLO C=CCCC1(C(=O)NCC[C@H](C)NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001078218185 796095277 /nfs/dbraw/zinc/09/52/77/796095277.db2.gz YPZMXSTXZLBUSA-AWEZNQCLSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3C[C@@H]3C3CCCC3)nn2)C1 ZINC001094331548 796104453 /nfs/dbraw/zinc/10/44/53/796104453.db2.gz BNRFCQRHPVDEDB-MSOLQXFVSA-N 1 2 343.475 2.153 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[C@@]3(CC)C(C)C)nn2)C1 ZINC001094332210 796106289 /nfs/dbraw/zinc/10/62/89/796106289.db2.gz NZYOXFGXQKOSKW-AEFFLSMTSA-N 1 2 331.464 2.009 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3ccc(Cl)cc3)nn2)C1 ZINC001094334698 796108363 /nfs/dbraw/zinc/10/83/63/796108363.db2.gz XIYJTRAETRPROA-UHFFFAOYSA-N 1 2 345.834 2.294 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3C[C@H](C)C[C@@H](C)C3)nn2)C1 ZINC001094340815 796116387 /nfs/dbraw/zinc/11/63/87/796116387.db2.gz SZQJBJKQHFSOIK-ZIAGYGMSSA-N 1 2 331.464 2.009 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(N3CCCC3)nc2)C1 ZINC001080628844 796260881 /nfs/dbraw/zinc/26/08/81/796260881.db2.gz HXMDTGCLXYRNKZ-CZUORRHYSA-N 1 2 348.878 2.484 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(N3CCCC3)nc2)C1 ZINC001080628844 796260886 /nfs/dbraw/zinc/26/08/86/796260886.db2.gz HXMDTGCLXYRNKZ-CZUORRHYSA-N 1 2 348.878 2.484 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N(CC)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106744020 796431096 /nfs/dbraw/zinc/43/10/96/796431096.db2.gz BOIDRQFKQPDIHE-SFHVURJKSA-N 1 2 332.448 2.250 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CC[C@H](C(C)C)CC3)CC2=O)C1 ZINC001094803241 796599953 /nfs/dbraw/zinc/59/99/53/796599953.db2.gz KLWATPKKDGCTPT-ULQDDVLXSA-N 1 2 347.503 2.036 20 30 EEEDLO C#Cc1ccc(C(=O)NC2C[NH+](CCCc3cccc(F)c3)C2)nc1 ZINC001031278061 796639892 /nfs/dbraw/zinc/63/98/92/796639892.db2.gz BNJWVHPVQKLOON-UHFFFAOYSA-N 1 2 337.398 2.249 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cncc3ncn(C)c32)[C@H]1C ZINC000993442545 796697548 /nfs/dbraw/zinc/69/75/48/796697548.db2.gz CDYRGZMTEVNJIG-OCCSQVGLSA-N 1 2 347.850 2.304 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cncc3ncn(C)c32)[C@H]1C ZINC000993442545 796697553 /nfs/dbraw/zinc/69/75/53/796697553.db2.gz CDYRGZMTEVNJIG-OCCSQVGLSA-N 1 2 347.850 2.304 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C1CC(C)C1 ZINC001081512912 796787424 /nfs/dbraw/zinc/78/74/24/796787424.db2.gz SCPNZGUAIXVGHX-ZUOQLNJOSA-N 1 2 345.418 2.059 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C1CC(C)C1 ZINC001081512912 796787426 /nfs/dbraw/zinc/78/74/26/796787426.db2.gz SCPNZGUAIXVGHX-ZUOQLNJOSA-N 1 2 345.418 2.059 20 30 EEEDLO CC(C)(C)n1ncc(C#N)c1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212664675 797004133 /nfs/dbraw/zinc/00/41/33/797004133.db2.gz YYFGJLLSLILVAN-UHFFFAOYSA-N 1 2 325.416 2.430 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3ccccc3cc2F)[C@H](OC)C1 ZINC001081934792 797018034 /nfs/dbraw/zinc/01/80/34/797018034.db2.gz LSTVXWDQXOSXKQ-RTBURBONSA-N 1 2 340.398 2.431 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3ccccc3cc2F)[C@H](OC)C1 ZINC001081934792 797018038 /nfs/dbraw/zinc/01/80/38/797018038.db2.gz LSTVXWDQXOSXKQ-RTBURBONSA-N 1 2 340.398 2.431 20 30 EEEDLO C#Cc1ccc(C(=O)NCC2CC[NH+](Cc3cnns3)CC2)cc1 ZINC001001702453 797134446 /nfs/dbraw/zinc/13/44/46/797134446.db2.gz ITRLWZITHOFRGG-UHFFFAOYSA-N 1 2 340.452 2.161 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCCC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001082096586 797167067 /nfs/dbraw/zinc/16/70/67/797167067.db2.gz ULAPKNCMHMHZHU-INIZCTEOSA-N 1 2 344.459 2.218 20 30 EEEDLO C=CCOCCCC(=O)N1CC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001095099114 797345671 /nfs/dbraw/zinc/34/56/71/797345671.db2.gz GPAWOCBUYKSWEX-QGZVFWFLSA-N 1 2 346.475 2.422 20 30 EEEDLO C=CCC(CC=C)C(=O)NC[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001082320192 797447929 /nfs/dbraw/zinc/44/79/29/797447929.db2.gz AFLOFWMXIJUYTM-KRWDZBQOSA-N 1 2 344.459 2.218 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(Cl)cccc2Cl)[C@H](OC)C1 ZINC001082341791 797464532 /nfs/dbraw/zinc/46/45/32/797464532.db2.gz FGSNQHGKDVRWOG-CHWSQXEVSA-N 1 2 327.211 2.056 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(Cl)cccc2Cl)[C@H](OC)C1 ZINC001082341791 797464536 /nfs/dbraw/zinc/46/45/36/797464536.db2.gz FGSNQHGKDVRWOG-CHWSQXEVSA-N 1 2 327.211 2.056 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)s2)[C@H](OC)C1 ZINC001082392986 797493555 /nfs/dbraw/zinc/49/35/55/797493555.db2.gz LMGUGGXAYWRRFA-GHMZBOCLSA-N 1 2 346.374 2.219 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)s2)[C@H](OC)C1 ZINC001082392986 797493559 /nfs/dbraw/zinc/49/35/59/797493559.db2.gz LMGUGGXAYWRRFA-GHMZBOCLSA-N 1 2 346.374 2.219 20 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C=CCCC1(C(=O)N[C@H](C)[C@@H](C)Nc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001113280960 808612363 /nfs/dbraw/zinc/61/23/63/808612363.db2.gz MIIZQMJYYYARMX-CHWSQXEVSA-N 1 2 346.479 2.298 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H](C)[C@H](C)Nc2[nH+]cnc3c2cnn3C)C1 ZINC001113287340 808652818 /nfs/dbraw/zinc/65/28/18/808652818.db2.gz XJHSACSFELKJRG-NWDGAFQWSA-N 1 2 328.420 2.025 20 30 EEEDLO CN(CC(C)(C)CNc1ccc(C#N)nc1)C(=O)CCn1cc[nH+]c1 ZINC001113446248 809000608 /nfs/dbraw/zinc/00/06/08/809000608.db2.gz NXCFFLKOIBYUAH-UHFFFAOYSA-N 1 2 340.431 2.137 20 30 EEEDLO C=CCC1(C(=O)N2CC[NH+](CCOCCCC)CC2)CCOCC1 ZINC001113593838 809312799 /nfs/dbraw/zinc/31/27/99/809312799.db2.gz XYFHZELKAXSOTK-UHFFFAOYSA-N 1 2 338.492 2.320 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CC[C@H]1C ZINC001114027103 810212481 /nfs/dbraw/zinc/21/24/81/810212481.db2.gz IIIAMCHASJKMKL-ZBFHGGJFSA-N 1 2 346.475 2.442 20 30 EEEDLO CC(C)[C@@H](CCN(C)C(=O)Cc1c[nH+]c[nH]1)Nc1ccc(C#N)nc1 ZINC001114118869 810377658 /nfs/dbraw/zinc/37/76/58/810377658.db2.gz JLEFEADAQRBIBL-QGZVFWFLSA-N 1 2 340.431 2.204 20 30 EEEDLO CC(C)C[C@H]1CC(=O)N(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793608115 810431742 /nfs/dbraw/zinc/43/17/42/810431742.db2.gz UWJZDVGXBIUHKG-DLBZAZTESA-N 1 2 342.443 2.258 20 30 EEEDLO CC(C)C[C@H]1CC(=O)N(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793608115 810431749 /nfs/dbraw/zinc/43/17/49/810431749.db2.gz UWJZDVGXBIUHKG-DLBZAZTESA-N 1 2 342.443 2.258 20 30 EEEDLO C=CCN(C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(C)C ZINC000793904711 810581056 /nfs/dbraw/zinc/58/10/56/810581056.db2.gz WPZPDQGFXSDBIX-UHFFFAOYSA-N 1 2 344.390 2.051 20 30 EEEDLO C=CCCC[N@@H+]1Cc2cnn(C3CCN(C(=O)COCC)CC3)c2C1 ZINC001130161418 811233608 /nfs/dbraw/zinc/23/36/08/811233608.db2.gz VFQRLTWZCHBQQL-UHFFFAOYSA-N 1 2 346.475 2.365 20 30 EEEDLO C=CCCC[N@H+]1Cc2cnn(C3CCN(C(=O)COCC)CC3)c2C1 ZINC001130161418 811233614 /nfs/dbraw/zinc/23/36/14/811233614.db2.gz VFQRLTWZCHBQQL-UHFFFAOYSA-N 1 2 346.475 2.365 20 30 EEEDLO CCOC(=O)c1csc(C(C#N)C(=O)C2CC[NH+](C3CC3)CC2)n1 ZINC000805865352 811595111 /nfs/dbraw/zinc/59/51/11/811595111.db2.gz GASHSVBBCMGNCA-ZDUSSCGKSA-N 1 2 347.440 2.370 20 30 EEEDLO Cn1c[nH+]cc1COC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000805889947 811612924 /nfs/dbraw/zinc/61/29/24/811612924.db2.gz VWFGIEMFUMZMQU-ZDUSSCGKSA-N 1 2 328.347 2.001 20 30 EEEDLO CC(C)CCCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131093743 812387794 /nfs/dbraw/zinc/38/77/94/812387794.db2.gz HQOOABXKJPEDKN-HZPDHXFCSA-N 1 2 331.464 2.044 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@H+](Cc3nc(C)c(C)o3)C2)C1 ZINC001131645004 813068900 /nfs/dbraw/zinc/06/89/00/813068900.db2.gz BEFWMXWUEQXSIF-AUUYWEPGSA-N 1 2 347.459 2.449 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@@H+](Cc3nc(C)c(C)o3)C2)C1 ZINC001131645004 813068908 /nfs/dbraw/zinc/06/89/08/813068908.db2.gz BEFWMXWUEQXSIF-AUUYWEPGSA-N 1 2 347.459 2.449 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(F)F ZINC001437653433 1090177580 /nfs/dbraw/zinc/17/75/80/1090177580.db2.gz QDVCRIOQJDWCOM-CQSZACIVSA-N 1 2 337.370 2.303 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(F)F ZINC001437653433 1090177584 /nfs/dbraw/zinc/17/75/84/1090177584.db2.gz QDVCRIOQJDWCOM-CQSZACIVSA-N 1 2 337.370 2.303 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1c(CC)nn(C)c1Cl ZINC001445846181 1091754731 /nfs/dbraw/zinc/75/47/31/1091754731.db2.gz RTCUFFVPPFWRMA-JTQLQIEISA-N 1 2 333.263 2.439 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1c(CC)nn(C)c1Cl ZINC001445846181 1091754734 /nfs/dbraw/zinc/75/47/34/1091754734.db2.gz RTCUFFVPPFWRMA-JTQLQIEISA-N 1 2 333.263 2.439 20 30 EEEDLO COCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1cc(Cl)ccc1F ZINC001449322122 1094274569 /nfs/dbraw/zinc/27/45/69/1094274569.db2.gz AZGFMVBRAMTLLK-LBPRGKRZSA-N 1 2 341.814 2.203 20 30 EEEDLO COCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1cc(Cl)ccc1F ZINC001449322122 1094274574 /nfs/dbraw/zinc/27/45/74/1094274574.db2.gz AZGFMVBRAMTLLK-LBPRGKRZSA-N 1 2 341.814 2.203 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1COc2ccc(F)cc2C1 ZINC001442465427 1096793845 /nfs/dbraw/zinc/79/38/45/1096793845.db2.gz PXETYBAIGVCSJC-CYBMUJFWSA-N 1 2 326.799 2.177 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1COc2ccc(F)cc2C1 ZINC001442465427 1096793852 /nfs/dbraw/zinc/79/38/52/1096793852.db2.gz PXETYBAIGVCSJC-CYBMUJFWSA-N 1 2 326.799 2.177 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1COc2ccc(F)cc2C1 ZINC001442465433 1096793946 /nfs/dbraw/zinc/79/39/46/1096793946.db2.gz PXETYBAIGVCSJC-ZDUSSCGKSA-N 1 2 326.799 2.177 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1COc2ccc(F)cc2C1 ZINC001442465433 1096793954 /nfs/dbraw/zinc/79/39/54/1096793954.db2.gz PXETYBAIGVCSJC-ZDUSSCGKSA-N 1 2 326.799 2.177 20 30 EEEDLO C=C(Br)C[NH2+][C@@H](C)CNC(=O)c1n[nH]c2ccccc21 ZINC001480583222 1100430007 /nfs/dbraw/zinc/43/00/07/1100430007.db2.gz YKJFTDKLJXJELC-JTQLQIEISA-N 1 2 337.221 2.179 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C(C)(F)F)C1 ZINC001494310360 1103878464 /nfs/dbraw/zinc/87/84/64/1103878464.db2.gz RAEIBNVBZBQUKT-KGLIPLIRSA-N 1 2 345.434 2.035 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C(C)(F)F)C1 ZINC001494310360 1103878473 /nfs/dbraw/zinc/87/84/73/1103878473.db2.gz RAEIBNVBZBQUKT-KGLIPLIRSA-N 1 2 345.434 2.035 20 30 EEEDLO C[C@]1(C(=O)NCC[N@H+](Cc2ccc(C#N)cc2F)C2CC2)CCOC1 ZINC001493428433 1108139863 /nfs/dbraw/zinc/13/98/63/1108139863.db2.gz LDGDJFXTHKDILI-IBGZPJMESA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@]1(C(=O)NCC[N@@H+](Cc2ccc(C#N)cc2F)C2CC2)CCOC1 ZINC001493428433 1108139868 /nfs/dbraw/zinc/13/98/68/1108139868.db2.gz LDGDJFXTHKDILI-IBGZPJMESA-N 1 2 345.418 2.205 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(C3CCCCC3)n2CC2CC2)CC1 ZINC001527049444 1120643954 /nfs/dbraw/zinc/64/39/54/1120643954.db2.gz WLZROGCCLVCRMJ-UHFFFAOYSA-N 1 2 327.476 2.491 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1[C@@H](/N=C/c2ccccc2O)CCC(=O)N1C1CC1 ZINC001548917872 1124594059 /nfs/dbraw/zinc/59/40/59/1124594059.db2.gz YZTLPGCLRNRJOI-NDXPISSFSA-N 1 2 338.411 2.439 20 30 EEEDLO C=CCNC(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638427 214137768 /nfs/dbraw/zinc/13/77/68/214137768.db2.gz QQFULPRRLIIKOH-DZGCQCFKSA-N 1 2 329.227 2.186 20 30 EEEDLO C=CCNC(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638427 214137769 /nfs/dbraw/zinc/13/77/69/214137769.db2.gz QQFULPRRLIIKOH-DZGCQCFKSA-N 1 2 329.227 2.186 20 30 EEEDLO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000101910513 219171397 /nfs/dbraw/zinc/17/13/97/219171397.db2.gz SRPAGVVFIQRQTQ-ZDUSSCGKSA-N 1 2 348.472 2.042 20 30 EEEDLO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000101910513 219171400 /nfs/dbraw/zinc/17/14/00/219171400.db2.gz SRPAGVVFIQRQTQ-ZDUSSCGKSA-N 1 2 348.472 2.042 20 30 EEEDLO CCCC(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000101913885 219172108 /nfs/dbraw/zinc/17/21/08/219172108.db2.gz IKCRNIKGMFNIMQ-CYBMUJFWSA-N 1 2 348.472 2.187 20 30 EEEDLO CCCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000101913885 219172110 /nfs/dbraw/zinc/17/21/10/219172110.db2.gz IKCRNIKGMFNIMQ-CYBMUJFWSA-N 1 2 348.472 2.187 20 30 EEEDLO CCc1nn(Cc2ccc(-n3cc[nH+]c3)cc2)c(=O)c(C#N)c1CC ZINC000187991363 236373020 /nfs/dbraw/zinc/37/30/20/236373020.db2.gz HAQBLOSTVGKILI-UHFFFAOYSA-N 1 2 333.395 2.474 20 30 EEEDLO CCOc1cc(C[NH+]2CCN(CC#N)CC2)ccc1OC(F)F ZINC000092936505 237038844 /nfs/dbraw/zinc/03/88/44/237038844.db2.gz NRLDQCYNNPRIAE-UHFFFAOYSA-N 1 2 325.359 2.328 20 30 EEEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451376478 243094723 /nfs/dbraw/zinc/09/47/23/243094723.db2.gz WVGKRJLHTMQMAD-NWDGAFQWSA-N 1 2 341.864 2.119 20 30 EEEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451376478 243094725 /nfs/dbraw/zinc/09/47/25/243094725.db2.gz WVGKRJLHTMQMAD-NWDGAFQWSA-N 1 2 341.864 2.119 20 30 EEEDLO CCn1cc[nH+]c1CNS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451752274 243244328 /nfs/dbraw/zinc/24/43/28/243244328.db2.gz FDDYFEJISWPTNZ-UHFFFAOYSA-N 1 2 338.820 2.101 20 30 EEEDLO C=CCN(Cc1ccccc1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000079201205 217201758 /nfs/dbraw/zinc/20/17/58/217201758.db2.gz ITCQVHWKPIPMSB-UHFFFAOYSA-N 1 2 331.460 2.495 20 30 EEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000491370795 246009555 /nfs/dbraw/zinc/00/95/55/246009555.db2.gz BBEQGDDVPXKBSH-SNVBAGLBSA-N 1 2 342.180 2.183 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000491370795 246009561 /nfs/dbraw/zinc/00/95/61/246009561.db2.gz BBEQGDDVPXKBSH-SNVBAGLBSA-N 1 2 342.180 2.183 20 30 EEEDLO C#CCNC(=O)C1CCN(c2[nH+]cnc3[nH]c4ccccc4c32)CC1 ZINC000491427784 246029358 /nfs/dbraw/zinc/02/93/58/246029358.db2.gz MBWJIIKYDZXOIB-UHFFFAOYSA-N 1 2 333.395 2.077 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C2CC2)CC1 ZINC000491714296 533158935 /nfs/dbraw/zinc/15/89/35/533158935.db2.gz MDQANHOHCPSPOR-UHFFFAOYSA-N 1 2 339.418 2.098 20 30 EEEDLO COCCOC1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000116886778 221003483 /nfs/dbraw/zinc/00/34/83/221003483.db2.gz OPYLJDUTXVEZOY-ZDUSSCGKSA-N 1 2 349.431 2.223 20 30 EEEDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)NCc2ccc(C#N)cc2)o1 ZINC000273485981 256300835 /nfs/dbraw/zinc/30/08/35/256300835.db2.gz JKMNEOZOCBHPHP-QGZVFWFLSA-N 1 2 341.411 2.307 20 30 EEEDLO C#C[C@H](NC(=O)NCc1ccc(N(C)C)[nH+]c1)c1ccc(F)cc1 ZINC000491771480 533329557 /nfs/dbraw/zinc/32/95/57/533329557.db2.gz QOODJOWLGHJXCG-INIZCTEOSA-N 1 2 326.375 2.460 20 30 EEEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000377402575 154184865 /nfs/dbraw/zinc/18/48/65/154184865.db2.gz VJSWUFZKKIWBML-SFHVURJKSA-N 1 2 341.436 2.164 20 30 EEEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000377402575 154184868 /nfs/dbraw/zinc/18/48/68/154184868.db2.gz VJSWUFZKKIWBML-SFHVURJKSA-N 1 2 341.436 2.164 20 30 EEEDLO CC/C=C\CC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000342225996 161048999 /nfs/dbraw/zinc/04/89/99/161048999.db2.gz WNFITFAXOXEHHZ-ARJAWSKDSA-N 1 2 333.457 2.221 20 30 EEEDLO C[C@@H](NC(=O)c1cc(C#N)cs1)C1([NH+]2CCOCC2)CCCC1 ZINC000084405677 286998221 /nfs/dbraw/zinc/99/82/21/286998221.db2.gz QMMQLXCKQNUXQB-CYBMUJFWSA-N 1 2 333.457 2.383 20 30 EEEDLO N#Cc1ccc(Cl)c(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)c1 ZINC000375899968 167220970 /nfs/dbraw/zinc/22/09/70/167220970.db2.gz FPRKZGCOPHRTBD-MRXNPFEDSA-N 1 2 326.787 2.393 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000122383106 222076627 /nfs/dbraw/zinc/07/66/27/222076627.db2.gz XGCTVJMABJMJHU-JTQLQIEISA-N 1 2 342.342 2.139 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000122383106 222076634 /nfs/dbraw/zinc/07/66/34/222076634.db2.gz XGCTVJMABJMJHU-JTQLQIEISA-N 1 2 342.342 2.139 20 30 EEEDLO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nncn1C ZINC000285450341 265901777 /nfs/dbraw/zinc/90/17/77/265901777.db2.gz SLWGQNZZFFKTIP-HNNXBMFYSA-N 1 2 346.822 2.266 20 30 EEEDLO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2ccc(C#N)s2)C[C@@H](C)O1 ZINC000331443193 267052535 /nfs/dbraw/zinc/05/25/35/267052535.db2.gz XWCRNHQGUKQSMF-MCIONIFRSA-N 1 2 333.457 2.334 20 30 EEEDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437403440 267055477 /nfs/dbraw/zinc/05/54/77/267055477.db2.gz KBAFSDFSLJRFER-UHFFFAOYSA-N 1 2 325.359 2.460 20 30 EEEDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437403440 267055480 /nfs/dbraw/zinc/05/54/80/267055480.db2.gz KBAFSDFSLJRFER-UHFFFAOYSA-N 1 2 325.359 2.460 20 30 EEEDLO CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000437403929 267069175 /nfs/dbraw/zinc/06/91/75/267069175.db2.gz AMMCIFPLHHYKJJ-CYBMUJFWSA-N 1 2 344.383 2.169 20 30 EEEDLO CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000437403929 267069178 /nfs/dbraw/zinc/06/91/78/267069178.db2.gz AMMCIFPLHHYKJJ-CYBMUJFWSA-N 1 2 344.383 2.169 20 30 EEEDLO Cc1cc(S(=O)(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)ccc1C#N ZINC000295312510 267354118 /nfs/dbraw/zinc/35/41/18/267354118.db2.gz OZRIKBNTPXYIMB-OAHLLOKOSA-N 1 2 344.440 2.372 20 30 EEEDLO N#Cc1ccc(-c2nnc(C[N@@H+](CCCO)Cc3ccccn3)o2)cc1 ZINC000280954918 268029153 /nfs/dbraw/zinc/02/91/53/268029153.db2.gz JDPNUWITKGKIQJ-UHFFFAOYSA-N 1 2 349.394 2.388 20 30 EEEDLO N#Cc1ccc(-c2nnc(C[N@H+](CCCO)Cc3ccccn3)o2)cc1 ZINC000280954918 268029154 /nfs/dbraw/zinc/02/91/54/268029154.db2.gz JDPNUWITKGKIQJ-UHFFFAOYSA-N 1 2 349.394 2.388 20 30 EEEDLO N#Cc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1F ZINC000289791405 268143485 /nfs/dbraw/zinc/14/34/85/268143485.db2.gz NFMSUMOIINURQZ-HNNXBMFYSA-N 1 2 332.379 2.026 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccsc3)CC2)c1[N+](=O)[O-] ZINC000536020730 317987873 /nfs/dbraw/zinc/98/78/73/317987873.db2.gz QJWCLAIAVLCYAN-UHFFFAOYSA-N 1 2 329.385 2.245 20 30 EEEDLO COc1cc(C#N)ccc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000546002165 318239476 /nfs/dbraw/zinc/23/94/76/318239476.db2.gz BBVGKXNGVRTAHX-CQSZACIVSA-N 1 2 325.372 2.460 20 30 EEEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000548651740 318401352 /nfs/dbraw/zinc/40/13/52/318401352.db2.gz WGEJILAGNNPQTF-LLVKDONJSA-N 1 2 347.325 2.493 20 30 EEEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2ccnc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000563548596 319022715 /nfs/dbraw/zinc/02/27/15/319022715.db2.gz ITHOLTDXHGIBCD-WMLDXEAASA-N 1 2 343.818 2.485 20 30 EEEDLO C[N@H+]1CCO[C@H]([C@H](Nc2ccnc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000563548596 319022717 /nfs/dbraw/zinc/02/27/17/319022717.db2.gz ITHOLTDXHGIBCD-WMLDXEAASA-N 1 2 343.818 2.485 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000568710369 319511119 /nfs/dbraw/zinc/51/11/19/319511119.db2.gz JYLALQRZGUIDRD-HNNXBMFYSA-N 1 2 335.411 2.102 20 30 EEEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000578125852 320295913 /nfs/dbraw/zinc/29/59/13/320295913.db2.gz RWVBRTUYVCOKEX-UHFFFAOYSA-N 1 2 341.440 2.042 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1ccc(Br)o1 ZINC000073872373 463664754 /nfs/dbraw/zinc/66/47/54/463664754.db2.gz IDNXDUXJJGQAND-JTQLQIEISA-N 1 2 328.210 2.234 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1ccc(Br)o1 ZINC000073872373 463664757 /nfs/dbraw/zinc/66/47/57/463664757.db2.gz IDNXDUXJJGQAND-JTQLQIEISA-N 1 2 328.210 2.234 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)N(C)CC(F)(F)F)Cc1ccc(CO)o1 ZINC000352792951 465554876 /nfs/dbraw/zinc/55/48/76/465554876.db2.gz NYIZGZNOFJIGFX-UHFFFAOYSA-N 1 2 334.338 2.171 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)N(C)CC(F)(F)F)Cc1ccc(CO)o1 ZINC000352792951 465554879 /nfs/dbraw/zinc/55/48/79/465554879.db2.gz NYIZGZNOFJIGFX-UHFFFAOYSA-N 1 2 334.338 2.171 20 30 EEEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@@H]1CCCOC1 ZINC000328851981 465147011 /nfs/dbraw/zinc/14/70/11/465147011.db2.gz VMWCNUSEKQXTGE-GFCCVEGCSA-N 1 2 330.388 2.414 20 30 EEEDLO CC(C)(C)[C@@H]1C[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)CCO1 ZINC000328934831 465174333 /nfs/dbraw/zinc/17/43/33/465174333.db2.gz QDVWDWKWFMSDGM-CABCVRRESA-N 1 2 341.496 2.195 20 30 EEEDLO C=C(CC)CSc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000358577323 465202659 /nfs/dbraw/zinc/20/26/59/465202659.db2.gz WZVWWLCYKBMDLN-UHFFFAOYSA-N 1 2 341.502 2.076 20 30 EEEDLO N#CC1(C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)CC1 ZINC000355234025 465236271 /nfs/dbraw/zinc/23/62/71/465236271.db2.gz ILTTZVQQWXKPCZ-MRXNPFEDSA-N 1 2 345.468 2.147 20 30 EEEDLO N#CC1(C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)CC1 ZINC000355234025 465236275 /nfs/dbraw/zinc/23/62/75/465236275.db2.gz ILTTZVQQWXKPCZ-MRXNPFEDSA-N 1 2 345.468 2.147 20 30 EEEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)CCN2C ZINC000329118256 465238514 /nfs/dbraw/zinc/23/85/14/465238514.db2.gz UWKFAWWNLXMQMV-ZDUSSCGKSA-N 1 2 346.431 2.140 20 30 EEEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)CCN2C ZINC000329118256 465238519 /nfs/dbraw/zinc/23/85/19/465238519.db2.gz UWKFAWWNLXMQMV-ZDUSSCGKSA-N 1 2 346.431 2.140 20 30 EEEDLO C=CCOc1cccc(NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000355332826 465241340 /nfs/dbraw/zinc/24/13/40/465241340.db2.gz BNGWCMDLWTYGIS-UHFFFAOYSA-N 1 2 341.415 2.324 20 30 EEEDLO C=CC[C@@H](CO)CNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000341847268 465268431 /nfs/dbraw/zinc/26/84/31/465268431.db2.gz SARCWDMEESQIEE-QGZVFWFLSA-N 1 2 342.443 2.110 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000341987566 465281397 /nfs/dbraw/zinc/28/13/97/465281397.db2.gz HBPXKBWKJKTZQI-HNNXBMFYSA-N 1 2 327.428 2.216 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cccc3c2OCCC3=O)C1 ZINC000329317222 465298646 /nfs/dbraw/zinc/29/86/46/465298646.db2.gz DCBDUDWOXHVGQH-GFCCVEGCSA-N 1 2 340.383 2.420 20 30 EEEDLO COC(=O)c1ccc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C#N)n1 ZINC000590586022 468279593 /nfs/dbraw/zinc/27/95/93/468279593.db2.gz IVILVOHKRSQWJR-BLLLJJGKSA-N 1 2 325.372 2.024 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCc3[nH+]c[nH]c3C2)c1 ZINC000590598882 468283624 /nfs/dbraw/zinc/28/36/24/468283624.db2.gz CRVDJXKLXYNGOK-UHFFFAOYSA-N 1 2 337.427 2.332 20 30 EEEDLO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)[C@@H]1C[C@@]12CCOC2 ZINC000329643700 465396123 /nfs/dbraw/zinc/39/61/23/465396123.db2.gz IGQQIRNNAWUXRH-YQVWRLOYSA-N 1 2 330.428 2.443 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2Cc2cccs2)CC1 ZINC000491165429 468312454 /nfs/dbraw/zinc/31/24/54/468312454.db2.gz KYZPUHYDVDNYGZ-UHFFFAOYSA-N 1 2 341.484 2.411 20 30 EEEDLO CC(C)(C)c1ncc(CN(CCC#N)CC[NH+]2CCOCC2)s1 ZINC000154756835 462804816 /nfs/dbraw/zinc/80/48/16/462804816.db2.gz QZAUCDYOOIRHDW-UHFFFAOYSA-N 1 2 336.505 2.488 20 30 EEEDLO C=CCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000117872306 462815858 /nfs/dbraw/zinc/81/58/58/462815858.db2.gz BNZPJEXHWWSXSH-UHFFFAOYSA-N 1 2 348.390 2.376 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000131631748 462818824 /nfs/dbraw/zinc/81/88/24/462818824.db2.gz LUDYVWJVXFWYEP-ZDUSSCGKSA-N 1 2 349.456 2.076 20 30 EEEDLO N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590746479 468323274 /nfs/dbraw/zinc/32/32/74/468323274.db2.gz PQSKWJODSZQVFI-MRXNPFEDSA-N 1 2 348.403 2.061 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000066435589 462888754 /nfs/dbraw/zinc/88/87/54/462888754.db2.gz MXQVMZCWVVTEPZ-AWEZNQCLSA-N 1 2 349.862 2.179 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000066435589 462888759 /nfs/dbraw/zinc/88/87/59/462888759.db2.gz MXQVMZCWVVTEPZ-AWEZNQCLSA-N 1 2 349.862 2.179 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCN(CC(F)(F)F)CC2)cc1 ZINC000155864476 462952714 /nfs/dbraw/zinc/95/27/14/462952714.db2.gz ORLNFLCIVCLGKD-UHFFFAOYSA-N 1 2 340.349 2.067 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCN(CC(F)(F)F)CC2)cc1 ZINC000155864476 462952718 /nfs/dbraw/zinc/95/27/18/462952718.db2.gz ORLNFLCIVCLGKD-UHFFFAOYSA-N 1 2 340.349 2.067 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000120391056 462993256 /nfs/dbraw/zinc/99/32/56/462993256.db2.gz FOZDDXLWNKZORL-ZWKOTPCHSA-N 1 2 342.487 2.349 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000120391056 462993260 /nfs/dbraw/zinc/99/32/60/462993260.db2.gz FOZDDXLWNKZORL-ZWKOTPCHSA-N 1 2 342.487 2.349 20 30 EEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000590762226 468331456 /nfs/dbraw/zinc/33/14/56/468331456.db2.gz DWXJNLLRRFNRGS-GZBFAFLISA-N 1 2 333.457 2.332 20 30 EEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000590762226 468331460 /nfs/dbraw/zinc/33/14/60/468331460.db2.gz DWXJNLLRRFNRGS-GZBFAFLISA-N 1 2 333.457 2.332 20 30 EEEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121099951 463079063 /nfs/dbraw/zinc/07/90/63/463079063.db2.gz YZGPVOIIPGBXSO-WMLDXEAASA-N 1 2 337.379 2.400 20 30 EEEDLO CCN(CCC#N)C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000121573368 463159946 /nfs/dbraw/zinc/15/99/46/463159946.db2.gz LBPVFHPXWBIJOP-HNNXBMFYSA-N 1 2 332.423 2.098 20 30 EEEDLO Cc1noc(C2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)n1 ZINC000053641142 463180667 /nfs/dbraw/zinc/18/06/67/463180667.db2.gz GZKDZXOORKRCAY-SJKOYZFVSA-N 1 2 333.436 2.000 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1cnn(C)c1 ZINC000027539612 463193618 /nfs/dbraw/zinc/19/36/18/463193618.db2.gz PIHDGCICYGFVCQ-NSHDSACASA-N 1 2 331.807 2.404 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1cnn(C)c1 ZINC000027539612 463193623 /nfs/dbraw/zinc/19/36/23/463193623.db2.gz PIHDGCICYGFVCQ-NSHDSACASA-N 1 2 331.807 2.404 20 30 EEEDLO C=CCNc1ncc(C(=O)NCCc2cn3ccccc3[nH+]2)s1 ZINC000136111411 463219840 /nfs/dbraw/zinc/21/98/40/463219840.db2.gz BRFKQTOPMMAHNN-UHFFFAOYSA-N 1 2 327.413 2.361 20 30 EEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)C1 ZINC000070793410 463385751 /nfs/dbraw/zinc/38/57/51/463385751.db2.gz AKSGJUCMGPYBKU-CALCHBBNSA-N 1 2 340.471 2.185 20 30 EEEDLO CC[C@H](COC)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000150723251 463417000 /nfs/dbraw/zinc/41/70/00/463417000.db2.gz XYMKAYLPRAGUOU-GFCCVEGCSA-N 1 2 328.416 2.071 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000057595502 463502659 /nfs/dbraw/zinc/50/26/59/463502659.db2.gz TYZWSKDBPNNWMC-CYBMUJFWSA-N 1 2 330.457 2.109 20 30 EEEDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)[C@H](C)C(=O)N(C)CCC#N ZINC000163371068 463584732 /nfs/dbraw/zinc/58/47/32/463584732.db2.gz YJCWNFRYZQCVGH-MRXNPFEDSA-N 1 2 344.459 2.324 20 30 EEEDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)[C@H](C)C(=O)N(C)CCC#N ZINC000163371068 463584736 /nfs/dbraw/zinc/58/47/36/463584736.db2.gz YJCWNFRYZQCVGH-MRXNPFEDSA-N 1 2 344.459 2.324 20 30 EEEDLO Cc1ccc(C)c(N2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)c1 ZINC000164632655 463627547 /nfs/dbraw/zinc/62/75/47/463627547.db2.gz HAXUDDZOAUJPHA-HXUWFJFHSA-N 1 2 340.471 2.234 20 30 EEEDLO Cc1cc(C)cc(NC(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000043999073 463664704 /nfs/dbraw/zinc/66/47/04/463664704.db2.gz SGAAPQXMEVQUFG-UHFFFAOYSA-N 1 2 349.438 2.331 20 30 EEEDLO CCOc1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000177534856 463730513 /nfs/dbraw/zinc/73/05/13/463730513.db2.gz GBKXBDAMQVZGGF-UHFFFAOYSA-N 1 2 346.431 2.165 20 30 EEEDLO Cc1sc(NC(=O)C[NH2+][C@@H](CCO)c2ccco2)c(C#N)c1C ZINC000185090743 463750574 /nfs/dbraw/zinc/75/05/74/463750574.db2.gz IWRHVESNDMTHST-ZDUSSCGKSA-N 1 2 333.413 2.481 20 30 EEEDLO CC1(C2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)OCCO1 ZINC000268470387 463755978 /nfs/dbraw/zinc/75/59/78/463755978.db2.gz MOOWAKUOCWFYTF-UHFFFAOYSA-N 1 2 335.429 2.033 20 30 EEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000177993794 463826305 /nfs/dbraw/zinc/82/63/05/463826305.db2.gz QWOKTIGXOVVOJM-SUMWQHHRSA-N 1 2 333.457 2.334 20 30 EEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@](C)(O)C1 ZINC000177993794 463826313 /nfs/dbraw/zinc/82/63/13/463826313.db2.gz QWOKTIGXOVVOJM-SUMWQHHRSA-N 1 2 333.457 2.334 20 30 EEEDLO CC#CCCCC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000185882972 463899187 /nfs/dbraw/zinc/89/91/87/463899187.db2.gz MRGGDDPGKTUGEF-UHFFFAOYSA-N 1 2 344.455 2.412 20 30 EEEDLO C=CCCN(C)C(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000283931341 464046530 /nfs/dbraw/zinc/04/65/30/464046530.db2.gz MBYNAXLELWOQQW-OAHLLOKOSA-N 1 2 337.851 2.093 20 30 EEEDLO CS[C@H](C)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000269788413 464095035 /nfs/dbraw/zinc/09/50/35/464095035.db2.gz FAQYNWKASXFIHW-CQSZACIVSA-N 1 2 332.473 2.137 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000591020239 468394986 /nfs/dbraw/zinc/39/49/86/468394986.db2.gz YVYCRAGRRMCNIB-ROUUACIJSA-N 1 2 326.444 2.106 20 30 EEEDLO C[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc(C#N)cc1 ZINC000263723830 464166809 /nfs/dbraw/zinc/16/68/09/464166809.db2.gz LXDXMBUWOBVBCA-CQSZACIVSA-N 1 2 330.432 2.029 20 30 EEEDLO C[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc(C#N)cc1 ZINC000263723830 464166813 /nfs/dbraw/zinc/16/68/13/464166813.db2.gz LXDXMBUWOBVBCA-CQSZACIVSA-N 1 2 330.432 2.029 20 30 EEEDLO NC(=[NH+]OCC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCO1 ZINC000284499695 464216671 /nfs/dbraw/zinc/21/66/71/464216671.db2.gz STQMQLKJNDAJCO-LLVKDONJSA-N 1 2 332.187 2.400 20 30 EEEDLO N#CCc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000270203338 464218553 /nfs/dbraw/zinc/21/85/53/464218553.db2.gz GUTHFJVAJKDBGE-FQEVSTJZSA-N 1 2 349.434 2.383 20 30 EEEDLO N#CCc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000270203338 464218558 /nfs/dbraw/zinc/21/85/58/464218558.db2.gz GUTHFJVAJKDBGE-FQEVSTJZSA-N 1 2 349.434 2.383 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](CC)CC(=O)NCC ZINC000270785994 464266437 /nfs/dbraw/zinc/26/64/37/464266437.db2.gz QCPXEDSAJVUNNJ-CQSZACIVSA-N 1 2 337.489 2.109 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](CC)CC(=O)NCC ZINC000270785994 464266440 /nfs/dbraw/zinc/26/64/40/464266440.db2.gz QCPXEDSAJVUNNJ-CQSZACIVSA-N 1 2 337.489 2.109 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000270831870 464267966 /nfs/dbraw/zinc/26/79/66/464267966.db2.gz CTVVOXFZTZRTOJ-HNNXBMFYSA-N 1 2 334.439 2.156 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)C1=O ZINC000281197264 464367129 /nfs/dbraw/zinc/36/71/29/464367129.db2.gz ITQQZIYUGKIBLE-GOSISDBHSA-N 1 2 342.418 2.289 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)C1=O ZINC000281197264 464367135 /nfs/dbraw/zinc/36/71/35/464367135.db2.gz ITQQZIYUGKIBLE-GOSISDBHSA-N 1 2 342.418 2.289 20 30 EEEDLO COc1cc2c(cc1Cl)C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CC2 ZINC000293269647 464395981 /nfs/dbraw/zinc/39/59/81/464395981.db2.gz UWAPUYZVMSFKKK-LBPRGKRZSA-N 1 2 335.835 2.467 20 30 EEEDLO COc1cc2c(cc1Cl)C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CC2 ZINC000293269647 464395989 /nfs/dbraw/zinc/39/59/89/464395989.db2.gz UWAPUYZVMSFKKK-LBPRGKRZSA-N 1 2 335.835 2.467 20 30 EEEDLO C[C@H]([NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)N(C)CCC#N ZINC000174333211 464396216 /nfs/dbraw/zinc/39/62/16/464396216.db2.gz TXOPGPNPFNVQAZ-RYUDHWBXSA-N 1 2 345.378 2.287 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCCN(c3cccc(F)c3)C2=O)C1=O ZINC000281412195 464444335 /nfs/dbraw/zinc/44/43/35/464444335.db2.gz REDYTKYCZRNXCO-IAGOWNOFSA-N 1 2 345.418 2.040 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(c3cccc(F)c3)C2=O)C1=O ZINC000281412195 464444338 /nfs/dbraw/zinc/44/43/38/464444338.db2.gz REDYTKYCZRNXCO-IAGOWNOFSA-N 1 2 345.418 2.040 20 30 EEEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)C1 ZINC000174736793 464445099 /nfs/dbraw/zinc/44/50/99/464445099.db2.gz GJLVDXFYKIUKCF-QWHCGFSZSA-N 1 2 328.199 2.005 20 30 EEEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)C1 ZINC000174736793 464445101 /nfs/dbraw/zinc/44/51/01/464445101.db2.gz GJLVDXFYKIUKCF-QWHCGFSZSA-N 1 2 328.199 2.005 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCCN(c3cccc(F)c3)C2=O)C1=O ZINC000281412197 464445108 /nfs/dbraw/zinc/44/51/08/464445108.db2.gz REDYTKYCZRNXCO-IRXDYDNUSA-N 1 2 345.418 2.040 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(c3cccc(F)c3)C2=O)C1=O ZINC000281412197 464445116 /nfs/dbraw/zinc/44/51/16/464445116.db2.gz REDYTKYCZRNXCO-IRXDYDNUSA-N 1 2 345.418 2.040 20 30 EEEDLO C[N@H+](CCC(C)(C)C#N)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000272015172 464447445 /nfs/dbraw/zinc/44/74/45/464447445.db2.gz LJZCNQXLWCGASQ-UHFFFAOYSA-N 1 2 344.459 2.333 20 30 EEEDLO C[N@@H+](CCC(C)(C)C#N)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000272015172 464447449 /nfs/dbraw/zinc/44/74/49/464447449.db2.gz LJZCNQXLWCGASQ-UHFFFAOYSA-N 1 2 344.459 2.333 20 30 EEEDLO CCC[N@H+](CC(=O)NC)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000175115266 464491803 /nfs/dbraw/zinc/49/18/03/464491803.db2.gz KIHSCKYAVPMWEH-UHFFFAOYSA-N 1 2 344.459 2.008 20 30 EEEDLO CCC[N@@H+](CC(=O)NC)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000175115266 464491806 /nfs/dbraw/zinc/49/18/06/464491806.db2.gz KIHSCKYAVPMWEH-UHFFFAOYSA-N 1 2 344.459 2.008 20 30 EEEDLO CC[C@](C)(C#N)C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000285307096 464518118 /nfs/dbraw/zinc/51/81/18/464518118.db2.gz WKWHXZXODHIMKL-PKOBYXMFSA-N 1 2 329.444 2.424 20 30 EEEDLO COCCC[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000272469952 464622758 /nfs/dbraw/zinc/62/27/58/464622758.db2.gz FKBDXLMKZXPWKE-INIZCTEOSA-N 1 2 329.444 2.265 20 30 EEEDLO C#CC[N@@H+](CC(=O)N(CC)Cc1ccc(OC)c(OC)c1)C1CC1 ZINC000274143630 464735741 /nfs/dbraw/zinc/73/57/41/464735741.db2.gz KCIUUAKQMSNGFF-UHFFFAOYSA-N 1 2 330.428 2.150 20 30 EEEDLO C#CC[N@H+](CC(=O)N(CC)Cc1ccc(OC)c(OC)c1)C1CC1 ZINC000274143630 464735748 /nfs/dbraw/zinc/73/57/48/464735748.db2.gz KCIUUAKQMSNGFF-UHFFFAOYSA-N 1 2 330.428 2.150 20 30 EEEDLO C#CC[N@@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)C1CC1 ZINC000274250066 464738852 /nfs/dbraw/zinc/73/88/52/464738852.db2.gz ZMMDYMFUPDEOIC-QGZVFWFLSA-N 1 2 325.437 2.446 20 30 EEEDLO C#CC[N@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)C1CC1 ZINC000274250066 464738858 /nfs/dbraw/zinc/73/88/58/464738858.db2.gz ZMMDYMFUPDEOIC-QGZVFWFLSA-N 1 2 325.437 2.446 20 30 EEEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000191087828 464774943 /nfs/dbraw/zinc/77/49/43/464774943.db2.gz WUIMFRZRYVDDJH-GFCCVEGCSA-N 1 2 337.376 2.065 20 30 EEEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000191087828 464774947 /nfs/dbraw/zinc/77/49/47/464774947.db2.gz WUIMFRZRYVDDJH-GFCCVEGCSA-N 1 2 337.376 2.065 20 30 EEEDLO C[NH+](C)[C@H](C(=O)Nc1n[nH]c(C2CC2)c1C#N)c1cccc(Cl)c1 ZINC000359716029 465485105 /nfs/dbraw/zinc/48/51/05/465485105.db2.gz LAMFHXMCXUXQSU-HNNXBMFYSA-N 1 2 343.818 3.054 20 30 EEEDLO C#CC[N@@H+](CC)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000266953173 464883558 /nfs/dbraw/zinc/88/35/58/464883558.db2.gz UYBDUPMGYRCMKS-UHFFFAOYSA-N 1 2 325.412 2.240 20 30 EEEDLO C#CC[N@H+](CC)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000266953173 464883560 /nfs/dbraw/zinc/88/35/60/464883560.db2.gz UYBDUPMGYRCMKS-UHFFFAOYSA-N 1 2 325.412 2.240 20 30 EEEDLO CCOC(=O)C1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000176981123 464897658 /nfs/dbraw/zinc/89/76/58/464897658.db2.gz UQJWWYPKDMIQEY-AWEZNQCLSA-N 1 2 347.440 2.000 20 30 EEEDLO CCOc1ccccc1NC(=O)[C@H](C)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329976383 465494485 /nfs/dbraw/zinc/49/44/85/465494485.db2.gz YPZLSBKCIHCIQP-LXZKKBNFSA-N 1 2 333.432 2.077 20 30 EEEDLO CCOc1ccccc1NC(=O)[C@H](C)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329976383 465494491 /nfs/dbraw/zinc/49/44/91/465494491.db2.gz YPZLSBKCIHCIQP-LXZKKBNFSA-N 1 2 333.432 2.077 20 30 EEEDLO CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000329976383 465494494 /nfs/dbraw/zinc/49/44/94/465494494.db2.gz YPZLSBKCIHCIQP-LXZKKBNFSA-N 1 2 333.432 2.077 20 30 EEEDLO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000329976383 465494500 /nfs/dbraw/zinc/49/45/00/465494500.db2.gz YPZLSBKCIHCIQP-LXZKKBNFSA-N 1 2 333.432 2.077 20 30 EEEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000276480940 464949226 /nfs/dbraw/zinc/94/92/26/464949226.db2.gz ODGNYSCWQBQBAN-UCFODXPJSA-N 1 2 339.439 2.141 20 30 EEEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000276480940 464949230 /nfs/dbraw/zinc/94/92/30/464949230.db2.gz ODGNYSCWQBQBAN-UCFODXPJSA-N 1 2 339.439 2.141 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)C[C@@H]2CCCCO2)cn1 ZINC000329987831 465498568 /nfs/dbraw/zinc/49/85/68/465498568.db2.gz SXIRCBUUFQOPOE-JYJNAYRXSA-N 1 2 338.427 2.248 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)C[C@@H]2CCCCO2)cn1 ZINC000329987831 465498575 /nfs/dbraw/zinc/49/85/75/465498575.db2.gz SXIRCBUUFQOPOE-JYJNAYRXSA-N 1 2 338.427 2.248 20 30 EEEDLO CCC[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000342580410 465330712 /nfs/dbraw/zinc/33/07/12/465330712.db2.gz KYKKJPVWVGNWFB-HNNXBMFYSA-N 1 2 332.429 2.244 20 30 EEEDLO O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000329436338 465333471 /nfs/dbraw/zinc/33/34/71/465333471.db2.gz JVHOTVOEQXDJKY-ZDUSSCGKSA-N 1 2 333.413 2.006 20 30 EEEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@@H]1CCCCS1 ZINC000329622737 465390167 /nfs/dbraw/zinc/39/01/67/465390167.db2.gz FVZGXSUDFVYPSP-HNNXBMFYSA-N 1 2 339.505 2.173 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000352021937 465468050 /nfs/dbraw/zinc/46/80/50/465468050.db2.gz NBNAMHJHUGAFPA-GFCCVEGCSA-N 1 2 349.381 2.454 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000352021937 465468054 /nfs/dbraw/zinc/46/80/54/465468054.db2.gz NBNAMHJHUGAFPA-GFCCVEGCSA-N 1 2 349.381 2.454 20 30 EEEDLO CCN1CCN(C(=O)NCCc2ccsc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329962245 465488155 /nfs/dbraw/zinc/48/81/55/465488155.db2.gz PFEOTRSJRGTBHC-CQSZACIVSA-N 1 2 333.461 2.307 20 30 EEEDLO CS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)s1 ZINC000329970884 465492351 /nfs/dbraw/zinc/49/23/51/465492351.db2.gz XJCVOFWHRWUJFS-JTQLQIEISA-N 1 2 339.442 2.067 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000339757876 465492646 /nfs/dbraw/zinc/49/26/46/465492646.db2.gz WXYHFMOZDWHLOG-UHFFFAOYSA-N 1 2 342.439 2.298 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000339757876 465492651 /nfs/dbraw/zinc/49/26/51/465492651.db2.gz WXYHFMOZDWHLOG-UHFFFAOYSA-N 1 2 342.439 2.298 20 30 EEEDLO CSc1ccccc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000298785233 465504546 /nfs/dbraw/zinc/50/45/46/465504546.db2.gz BQGBDSKEAGTLMT-UHFFFAOYSA-N 1 2 333.457 2.097 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000343326472 465505983 /nfs/dbraw/zinc/50/59/83/465505983.db2.gz XJLWJRAOWKGUFJ-YJBOKZPZSA-N 1 2 344.459 2.287 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000352325514 465516032 /nfs/dbraw/zinc/51/60/32/465516032.db2.gz SZBWMHQZIYEISM-SJLPKXTDSA-N 1 2 343.471 2.363 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000352325514 465516038 /nfs/dbraw/zinc/51/60/38/465516038.db2.gz SZBWMHQZIYEISM-SJLPKXTDSA-N 1 2 343.471 2.363 20 30 EEEDLO CCN1CCN(C(=O)Nc2cccc(OC)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330066227 465521519 /nfs/dbraw/zinc/52/15/19/465521519.db2.gz SQWIMDCILQIPPG-HNNXBMFYSA-N 1 2 329.404 2.343 20 30 EEEDLO C=C(C)COc1cc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)ccc1OC ZINC000360058806 465526646 /nfs/dbraw/zinc/52/66/46/465526646.db2.gz NZNLOKNIYJRIFN-HNNXBMFYSA-N 1 2 332.400 2.287 20 30 EEEDLO C=C(C)COc1cc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)ccc1OC ZINC000360058806 465526649 /nfs/dbraw/zinc/52/66/49/465526649.db2.gz NZNLOKNIYJRIFN-HNNXBMFYSA-N 1 2 332.400 2.287 20 30 EEEDLO CCn1cnnc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000343557512 465528257 /nfs/dbraw/zinc/52/82/57/465528257.db2.gz CLSFDXDVGNISKC-UHFFFAOYSA-N 1 2 335.415 2.365 20 30 EEEDLO C[C@H]1CCCC[C@H]1OCCNC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352464142 465531599 /nfs/dbraw/zinc/53/15/99/465531599.db2.gz PKELASHEKKYUDS-LSDHHAIUSA-N 1 2 325.428 2.026 20 30 EEEDLO Cn1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000348315322 465546268 /nfs/dbraw/zinc/54/62/68/465546268.db2.gz IQVGYLCTADTDLB-QGZVFWFLSA-N 1 2 329.835 2.456 20 30 EEEDLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCCc3cn[nH]c32)C[C@@H](C)O1 ZINC000330149327 465550603 /nfs/dbraw/zinc/55/06/03/465550603.db2.gz KAUILTYBZSZRRE-UMVBOHGHSA-N 1 2 349.479 2.179 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)NC(C1CC1)C1CC1)Cc1ccc(CO)o1 ZINC000352790248 465555288 /nfs/dbraw/zinc/55/52/88/465555288.db2.gz FARQFHDFUSNUEY-UHFFFAOYSA-N 1 2 332.444 2.455 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)NC(C1CC1)C1CC1)Cc1ccc(CO)o1 ZINC000352790248 465555298 /nfs/dbraw/zinc/55/52/98/465555298.db2.gz FARQFHDFUSNUEY-UHFFFAOYSA-N 1 2 332.444 2.455 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000353163203 465685235 /nfs/dbraw/zinc/68/52/35/465685235.db2.gz CAKXEYFMNNZQPT-ACJLOTCBSA-N 1 2 331.416 2.030 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000353163203 465685247 /nfs/dbraw/zinc/68/52/47/465685247.db2.gz CAKXEYFMNNZQPT-ACJLOTCBSA-N 1 2 331.416 2.030 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000340093853 465760449 /nfs/dbraw/zinc/76/04/49/465760449.db2.gz CYNLPBONZIUMGJ-OAHLLOKOSA-N 1 2 344.459 2.159 20 30 EEEDLO C=CCOC[C@H](NCc1c[nH+]c(C)n1-c1ccccc1)C(=O)OC ZINC000361108333 465770190 /nfs/dbraw/zinc/77/01/90/465770190.db2.gz KCXWCCLGFOIRPL-KRWDZBQOSA-N 1 2 329.400 2.015 20 30 EEEDLO C=CCCC1(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CC1 ZINC000357172776 465829911 /nfs/dbraw/zinc/82/99/11/465829911.db2.gz RMQAFYGIYLGODQ-UHFFFAOYSA-N 1 2 327.428 2.215 20 30 EEEDLO C=CCCC1(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CC1 ZINC000357172776 465829916 /nfs/dbraw/zinc/82/99/16/465829916.db2.gz RMQAFYGIYLGODQ-UHFFFAOYSA-N 1 2 327.428 2.215 20 30 EEEDLO COc1cc(C#N)ccc1OCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299672687 465852340 /nfs/dbraw/zinc/85/23/40/465852340.db2.gz POXIETRWCFDHOY-UHFFFAOYSA-N 1 2 340.383 2.075 20 30 EEEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000331021175 465899968 /nfs/dbraw/zinc/89/99/68/465899968.db2.gz RUEHMZPXBXZTEP-IFXJQAMLSA-N 1 2 345.443 2.395 20 30 EEEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000331021175 465899976 /nfs/dbraw/zinc/89/99/76/465899976.db2.gz RUEHMZPXBXZTEP-IFXJQAMLSA-N 1 2 345.443 2.395 20 30 EEEDLO Cc1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)nn1-c1cccc(C#N)c1 ZINC000357290412 465916478 /nfs/dbraw/zinc/91/64/78/465916478.db2.gz NKRDEQBGUVCNFV-AWEZNQCLSA-N 1 2 348.410 2.315 20 30 EEEDLO Cc1csc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1Cl ZINC000331074670 465922226 /nfs/dbraw/zinc/92/22/26/465922226.db2.gz GVIIVBGKAYNJOQ-AWEZNQCLSA-N 1 2 332.853 2.098 20 30 EEEDLO Cc1cccc(NC(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)c1C ZINC000301264804 465931734 /nfs/dbraw/zinc/93/17/34/465931734.db2.gz HKNMBMQPAHQLQU-UHFFFAOYSA-N 1 2 349.438 2.331 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000346356883 466087527 /nfs/dbraw/zinc/08/75/27/466087527.db2.gz MGGOEWUGHJAYOC-PXNSSMCTSA-N 1 2 346.471 2.063 20 30 EEEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1C ZINC000346629576 466119151 /nfs/dbraw/zinc/11/91/51/466119151.db2.gz BFRMZIFMVSRWAW-MFKMUULPSA-N 1 2 335.791 2.034 20 30 EEEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1C ZINC000346629576 466119156 /nfs/dbraw/zinc/11/91/56/466119156.db2.gz BFRMZIFMVSRWAW-MFKMUULPSA-N 1 2 335.791 2.034 20 30 EEEDLO COc1cc(C#N)ccc1OCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000363178660 466265626 /nfs/dbraw/zinc/26/56/26/466265626.db2.gz TZGVCGXEJMMFOX-UHFFFAOYSA-N 1 2 340.383 2.006 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@@H]1CCCN(CC#N)C1 ZINC000354086443 466339871 /nfs/dbraw/zinc/33/98/71/466339871.db2.gz PUFMNWANFQWDEY-INIZCTEOSA-N 1 2 339.443 2.087 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000581492263 468494570 /nfs/dbraw/zinc/49/45/70/468494570.db2.gz ZMCFOHOUIHHANM-GOSISDBHSA-N 1 2 344.390 2.373 20 30 EEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000332308813 466499861 /nfs/dbraw/zinc/49/98/61/466499861.db2.gz SFCWQIUCASAUHH-YQQAZPJKSA-N 1 2 327.432 2.162 20 30 EEEDLO COc1cccc(C(=O)N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)c1OC ZINC000338940763 466505043 /nfs/dbraw/zinc/50/50/43/466505043.db2.gz GLYIALGWLMAWRE-GJZGRUSLSA-N 1 2 343.427 2.154 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000325343550 466656753 /nfs/dbraw/zinc/65/67/53/466656753.db2.gz CYHQSXZFHGVXAR-UHFFFAOYSA-N 1 2 337.305 2.193 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000325343550 466656755 /nfs/dbraw/zinc/65/67/55/466656755.db2.gz CYHQSXZFHGVXAR-UHFFFAOYSA-N 1 2 337.305 2.193 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c(Cl)c1 ZINC000373394066 466789754 /nfs/dbraw/zinc/78/97/54/466789754.db2.gz RMPUKPFFTYTSCK-GFCCVEGCSA-N 1 2 336.804 2.461 20 30 EEEDLO C[C@@H](O)[C@H]1CCN(c2cc(N(C)Cc3cccc(C#N)c3)nc[nH+]2)C1 ZINC000413045123 467159796 /nfs/dbraw/zinc/15/97/96/467159796.db2.gz FASFQDXNUSHTMB-PBHICJAKSA-N 1 2 337.427 2.192 20 30 EEEDLO C[C@@H](O)[C@H]1CCN(c2cc(N(C)Cc3cccc(C#N)c3)[nH+]cn2)C1 ZINC000413045123 467159799 /nfs/dbraw/zinc/15/97/99/467159799.db2.gz FASFQDXNUSHTMB-PBHICJAKSA-N 1 2 337.427 2.192 20 30 EEEDLO N#CCC1(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000430158000 467404809 /nfs/dbraw/zinc/40/48/09/467404809.db2.gz SMOHPLOMZRATOK-KRWDZBQOSA-N 1 2 342.443 2.053 20 30 EEEDLO COc1cc[nH+]cc1CNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000431592869 467527744 /nfs/dbraw/zinc/52/77/44/467527744.db2.gz SQBQONPNHYFWGO-UHFFFAOYSA-N 1 2 337.788 2.094 20 30 EEEDLO N#Cc1ccc(Cn2c3ccccc3[nH+]c2NCCO)c(Cl)c1 ZINC000438920971 467565944 /nfs/dbraw/zinc/56/59/44/467565944.db2.gz SJCRTNIKTBNUAF-UHFFFAOYSA-N 1 2 326.787 3.014 20 30 EEEDLO C=CCOCCCC(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000439020134 467566080 /nfs/dbraw/zinc/56/60/80/467566080.db2.gz JTHAUMHEZNZAIT-UHFFFAOYSA-N 1 2 344.415 2.321 20 30 EEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)c2ccc(C#N)s2)C1 ZINC000442832321 467577791 /nfs/dbraw/zinc/57/77/91/467577791.db2.gz AYRCOCLGSJCSDX-QGZVFWFLSA-N 1 2 349.456 2.156 20 30 EEEDLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@]3(C#N)C[C@H]3C)CC2)cc1 ZINC000448622452 467596601 /nfs/dbraw/zinc/59/66/01/467596601.db2.gz NYPRAEKADIYKJY-BEFAXECRSA-N 1 2 327.428 2.279 20 30 EEEDLO C#CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)C(=O)OC ZINC000496561879 467649768 /nfs/dbraw/zinc/64/97/68/467649768.db2.gz AASQJNGTGFGFLZ-ZNMIVQPWSA-N 1 2 338.448 2.177 20 30 EEEDLO C=CC(C)(C)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000455375933 467672660 /nfs/dbraw/zinc/67/26/60/467672660.db2.gz AIWYTDTURQWRHI-MSOLQXFVSA-N 1 2 343.471 2.493 20 30 EEEDLO C=CC(C)(C)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000455375933 467672663 /nfs/dbraw/zinc/67/26/63/467672663.db2.gz AIWYTDTURQWRHI-MSOLQXFVSA-N 1 2 343.471 2.493 20 30 EEEDLO C[C@@H]1c2cccn2CC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528345305 467680515 /nfs/dbraw/zinc/68/05/15/467680515.db2.gz OMOWJZWHNFMLHZ-OAHLLOKOSA-N 1 2 333.391 2.164 20 30 EEEDLO C[C@@H]1c2cccn2CC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528345305 467680518 /nfs/dbraw/zinc/68/05/18/467680518.db2.gz OMOWJZWHNFMLHZ-OAHLLOKOSA-N 1 2 333.391 2.164 20 30 EEEDLO CC(C)(C)[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528484694 467685811 /nfs/dbraw/zinc/68/58/11/467685811.db2.gz KVAYSAWRMYOPDU-KRWDZBQOSA-N 1 2 340.423 2.033 20 30 EEEDLO CC(C)(C)[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528484694 467685817 /nfs/dbraw/zinc/68/58/17/467685817.db2.gz KVAYSAWRMYOPDU-KRWDZBQOSA-N 1 2 340.423 2.033 20 30 EEEDLO C=CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000492759265 467741338 /nfs/dbraw/zinc/74/13/38/467741338.db2.gz BTIFSXWTAKWJLC-HSBSLETESA-N 1 2 349.398 2.174 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2ccc(C#N)o2)CCCO1 ZINC000497135235 467851855 /nfs/dbraw/zinc/85/18/55/467851855.db2.gz XGHUMVFNOROGIN-HNNXBMFYSA-N 1 2 335.404 2.267 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C#N)o2)CCCO1 ZINC000497135235 467851858 /nfs/dbraw/zinc/85/18/58/467851858.db2.gz XGHUMVFNOROGIN-HNNXBMFYSA-N 1 2 335.404 2.267 20 30 EEEDLO CCOC(=O)Nc1ccc(NC(=O)NCc2[nH]cc[nH+]2)cc1C#N ZINC000494148471 468033213 /nfs/dbraw/zinc/03/32/13/468033213.db2.gz NLYVMKWRXUSSRO-UHFFFAOYSA-N 1 2 328.332 2.171 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ccc(OC(F)F)cc1 ZINC000517804347 468098144 /nfs/dbraw/zinc/09/81/44/468098144.db2.gz XEFMAFQHAFTKTC-INIZCTEOSA-N 1 2 325.359 2.181 20 30 EEEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1-c1ccc(C)cc1 ZINC000565775901 468137529 /nfs/dbraw/zinc/13/75/29/468137529.db2.gz AXGIMNQIPGNGIZ-GOSISDBHSA-N 1 2 325.416 2.063 20 30 EEEDLO Cc1ccc(-c2nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cs2)n1C ZINC000576880230 468174387 /nfs/dbraw/zinc/17/43/87/468174387.db2.gz SXHPVFQYWJVAIG-MRXNPFEDSA-N 1 2 331.445 2.031 20 30 EEEDLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH+]1CCC(CCC#N)CC1 ZINC000567790034 468210587 /nfs/dbraw/zinc/21/05/87/468210587.db2.gz MAZKQLLSPPNOCM-IBGZPJMESA-N 1 2 341.455 2.319 20 30 EEEDLO C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCN(CCC#N)CC2)C1=O ZINC000590168780 468220888 /nfs/dbraw/zinc/22/08/88/468220888.db2.gz DUTXTMXKADGUSD-QAPCUYQASA-N 1 2 344.434 2.019 20 30 EEEDLO N#CCC[NH2+]Cc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O ZINC000578740448 468248026 /nfs/dbraw/zinc/24/80/26/468248026.db2.gz HRJUFBXKFKJJNG-UHFFFAOYSA-N 1 2 340.427 2.445 20 30 EEEDLO N#C[C@H]1CC[C@@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000569687836 468528698 /nfs/dbraw/zinc/52/86/98/468528698.db2.gz VUFGHUKDIIYLSD-JQHSSLGASA-N 1 2 342.443 2.051 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000582651739 468571727 /nfs/dbraw/zinc/57/17/27/468571727.db2.gz XKLQSQWNMOMXGM-SJORKVTESA-N 1 2 340.427 2.416 20 30 EEEDLO C[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1[nH]cc[nH+]1 ZINC000557047307 468609247 /nfs/dbraw/zinc/60/92/47/468609247.db2.gz IOXRSWDNQHVBTO-CQSZACIVSA-N 1 2 339.399 2.314 20 30 EEEDLO CC(C)(C)[C@@H](NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1cccs1 ZINC000592149340 468640452 /nfs/dbraw/zinc/64/04/52/468640452.db2.gz NGRYSQTXIXHBHR-DOTOQJQBSA-N 1 2 335.473 2.302 20 30 EEEDLO CC(C)(C)[C@@H](NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1cccs1 ZINC000592149340 468640457 /nfs/dbraw/zinc/64/04/57/468640457.db2.gz NGRYSQTXIXHBHR-DOTOQJQBSA-N 1 2 335.473 2.302 20 30 EEEDLO Cc1ccccc1N1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000592497163 468711975 /nfs/dbraw/zinc/71/19/75/468711975.db2.gz XCYRLZYVECFQJO-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO Cc1[nH+]c(C(C)C)ccc1Cn1c(=O)c(C#N)c(C)n(C2CC2)c1=O ZINC000601091665 468739160 /nfs/dbraw/zinc/73/91/60/468739160.db2.gz AOURNCHBTORPDW-UHFFFAOYSA-N 1 2 338.411 2.400 20 30 EEEDLO CCOC(=O)CN(C(=O)C[N@@H+]1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595610253 468922527 /nfs/dbraw/zinc/92/25/27/468922527.db2.gz UXNHAWPSENBDNO-MRXNPFEDSA-N 1 2 343.427 2.208 20 30 EEEDLO CCOC(=O)CN(C(=O)C[N@H+]1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595610253 468922531 /nfs/dbraw/zinc/92/25/31/468922531.db2.gz UXNHAWPSENBDNO-MRXNPFEDSA-N 1 2 343.427 2.208 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)o1 ZINC000595632123 468931865 /nfs/dbraw/zinc/93/18/65/468931865.db2.gz AOFWUUVUKBGYEW-UHFFFAOYSA-N 1 2 331.397 2.322 20 30 EEEDLO C[C@@H]1CCCN(C(=O)C[NH+]2CCN(c3ccsc3C#N)CC2)C1 ZINC000595632398 468931895 /nfs/dbraw/zinc/93/18/95/468931895.db2.gz FTWSKVRGRLSNJS-CQSZACIVSA-N 1 2 332.473 2.000 20 30 EEEDLO CC[C@H](C#N)C(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000593421873 468971341 /nfs/dbraw/zinc/97/13/41/468971341.db2.gz YYKUUAZFHXFHGS-CYBMUJFWSA-N 1 2 333.436 2.347 20 30 EEEDLO N#Cc1ccsc1N1CC[C@@H](N2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000610581842 469010065 /nfs/dbraw/zinc/01/00/65/469010065.db2.gz QWGIENKSUZZXPH-LSDHHAIUSA-N 1 2 341.440 2.259 20 30 EEEDLO CC[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1nnc2n1CCCCC2 ZINC000595806229 469020931 /nfs/dbraw/zinc/02/09/31/469020931.db2.gz FQEOKQTYHODSMR-KDOFPFPSSA-N 1 2 346.479 2.100 20 30 EEEDLO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)Cc1c(F)cccc1C#N ZINC000586809559 469072405 /nfs/dbraw/zinc/07/24/05/469072405.db2.gz RFFGBTMSAQMZSI-ZDUSSCGKSA-N 1 2 326.375 2.157 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)COc1c(F)cccc1Br ZINC000601962456 469115596 /nfs/dbraw/zinc/11/55/96/469115596.db2.gz FGTSZSKXWHKWRK-JTQLQIEISA-N 1 2 331.185 2.173 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1c(F)cccc1Br ZINC000601962456 469115600 /nfs/dbraw/zinc/11/56/00/469115600.db2.gz FGTSZSKXWHKWRK-JTQLQIEISA-N 1 2 331.185 2.173 20 30 EEEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000602870809 469130526 /nfs/dbraw/zinc/13/05/26/469130526.db2.gz XJXGBDQADCSNMT-LUJVGJCTSA-N 1 2 332.448 2.061 20 30 EEEDLO Cc1cc(N(C)[C@@H]2CCCOC2)c(C#N)c(N(C)[C@H]2CCCOC2)[nH+]1 ZINC000596231559 469214929 /nfs/dbraw/zinc/21/49/29/469214929.db2.gz QJPZYCJITNKPPL-CVEARBPZSA-N 1 2 344.459 2.492 20 30 EEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000563363729 469236150 /nfs/dbraw/zinc/23/61/50/469236150.db2.gz AIBHBKINCKWPBP-GFCCVEGCSA-N 1 2 332.795 2.141 20 30 EEEDLO N#C[C@]1(F)CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000615662257 469294804 /nfs/dbraw/zinc/29/48/04/469294804.db2.gz UMUCVLDQROYWNG-NVXWUHKLSA-N 1 2 333.432 2.241 20 30 EEEDLO C[C@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCO1 ZINC000596658959 469324761 /nfs/dbraw/zinc/32/47/61/469324761.db2.gz QBJHIQZKXQLJSD-VQIMIIECSA-N 1 2 341.455 2.408 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C2(CO)CCOCC2)c1C#N ZINC000616828689 469514792 /nfs/dbraw/zinc/51/47/92/469514792.db2.gz VMOLWXKBEOSEDN-UHFFFAOYSA-N 1 2 340.427 2.026 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)C2(CO)CCOCC2)c1C#N ZINC000616828689 469514798 /nfs/dbraw/zinc/51/47/98/469514798.db2.gz VMOLWXKBEOSEDN-UHFFFAOYSA-N 1 2 340.427 2.026 20 30 EEEDLO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647484 469658139 /nfs/dbraw/zinc/65/81/39/469658139.db2.gz UIYHVTMXXGOBLQ-WMLDXEAASA-N 1 2 346.450 2.311 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000619719458 469669742 /nfs/dbraw/zinc/66/97/42/469669742.db2.gz AGOVTJPCLPMSKA-GUYCJALGSA-N 1 2 334.416 2.308 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000619719458 469669746 /nfs/dbraw/zinc/66/97/46/469669746.db2.gz AGOVTJPCLPMSKA-GUYCJALGSA-N 1 2 334.416 2.308 20 30 EEEDLO CC(C)C[C@@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000608823384 469881767 /nfs/dbraw/zinc/88/17/67/469881767.db2.gz RNLMBXQOMSOVBZ-ZDUSSCGKSA-N 1 2 327.344 2.449 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000609485397 469931941 /nfs/dbraw/zinc/93/19/41/469931941.db2.gz PHQUVFDBIJAVBL-TVFCKZIOSA-N 1 2 334.508 2.093 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000609484630 469932067 /nfs/dbraw/zinc/93/20/67/469932067.db2.gz DIBGMUQGKOMMLB-MHORFTMASA-N 1 2 334.508 2.045 20 30 EEEDLO C[C@H](CC#N)[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000609545522 469938508 /nfs/dbraw/zinc/93/85/08/469938508.db2.gz SDEVHWVZAKWBKN-SNVBAGLBSA-N 1 2 331.235 2.115 20 30 EEEDLO C=CCC1(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000618248046 469938711 /nfs/dbraw/zinc/93/87/11/469938711.db2.gz SEWXIOMCZISHIO-GOSISDBHSA-N 1 2 344.455 2.129 20 30 EEEDLO C=CCC1(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000618248046 469938714 /nfs/dbraw/zinc/93/87/14/469938714.db2.gz SEWXIOMCZISHIO-GOSISDBHSA-N 1 2 344.455 2.129 20 30 EEEDLO C=CCC1(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)CCOCC1 ZINC000618246902 469938747 /nfs/dbraw/zinc/93/87/47/469938747.db2.gz BQJIORSHRZINJP-UHFFFAOYSA-N 1 2 344.455 2.374 20 30 EEEDLO Cc1nccc([C@@H]2CCC[N@@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)n1 ZINC000609671598 469954364 /nfs/dbraw/zinc/95/43/64/469954364.db2.gz IXKAXXFSEBTQIE-SJLPKXTDSA-N 1 2 335.411 2.063 20 30 EEEDLO Cc1nccc([C@@H]2CCC[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)n1 ZINC000609671598 469954368 /nfs/dbraw/zinc/95/43/68/469954368.db2.gz IXKAXXFSEBTQIE-SJLPKXTDSA-N 1 2 335.411 2.063 20 30 EEEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1CC#Cc1ccc(F)cc1 ZINC000625496866 470155319 /nfs/dbraw/zinc/15/53/19/470155319.db2.gz FZWQNETXEDTKBS-IBGZPJMESA-N 1 2 335.386 2.282 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N(CC)Cc2ccccc2)nn1 ZINC000640824738 471048531 /nfs/dbraw/zinc/04/85/31/471048531.db2.gz AANWFHYATFUNQW-INIZCTEOSA-N 1 2 339.443 2.001 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2cc(Cl)c3c(c2)OCCCO3)nn1 ZINC000640858589 471072989 /nfs/dbraw/zinc/07/29/89/471072989.db2.gz BUVITBMAAKVWKM-UHFFFAOYSA-N 1 2 346.818 2.254 20 30 EEEDLO C=C(C)CCNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000652221735 471257799 /nfs/dbraw/zinc/25/77/99/471257799.db2.gz PMEJRINKTWVYGP-UHFFFAOYSA-N 1 2 330.432 2.162 20 30 EEEDLO C=CCCn1cc(C[N@@H+](CCOC)Cc2ccc3c(c2)OCO3)nn1 ZINC000653555693 471665163 /nfs/dbraw/zinc/66/51/63/471665163.db2.gz PUPRXRGPVBNOSD-UHFFFAOYSA-N 1 2 344.415 2.232 20 30 EEEDLO C=CCCn1cc(C[N@H+](CCOC)Cc2ccc3c(c2)OCO3)nn1 ZINC000653555693 471665169 /nfs/dbraw/zinc/66/51/69/471665169.db2.gz PUPRXRGPVBNOSD-UHFFFAOYSA-N 1 2 344.415 2.232 20 30 EEEDLO C=C[C@H](O)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000668573747 472180183 /nfs/dbraw/zinc/18/01/83/472180183.db2.gz HUYAZAQELRBRDJ-ZFWWWQNUSA-N 1 2 326.799 2.107 20 30 EEEDLO C=C[C@H](O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000668573747 472180189 /nfs/dbraw/zinc/18/01/89/472180189.db2.gz HUYAZAQELRBRDJ-ZFWWWQNUSA-N 1 2 326.799 2.107 20 30 EEEDLO C=CC[C@H]1CCCN(C(=O)C(=O)NCc2cn3ccc(C)cc3[nH+]2)C1 ZINC000668615699 472196497 /nfs/dbraw/zinc/19/64/97/472196497.db2.gz WLBPXGZOZKLLJY-HNNXBMFYSA-N 1 2 340.427 2.074 20 30 EEEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)nn1 ZINC000424294957 534464963 /nfs/dbraw/zinc/46/49/63/534464963.db2.gz MAKKXCSRFSCISF-GFCCVEGCSA-N 1 2 329.404 2.282 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000456574039 534632042 /nfs/dbraw/zinc/63/20/42/534632042.db2.gz BAUPIZNZFRDBAA-CYBMUJFWSA-N 1 2 328.210 2.176 20 30 EEEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000361476940 534642970 /nfs/dbraw/zinc/64/29/70/534642970.db2.gz FRHOZBLVRJYPRK-QGZVFWFLSA-N 1 2 342.468 2.432 20 30 EEEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000361476940 534642979 /nfs/dbraw/zinc/64/29/79/534642979.db2.gz FRHOZBLVRJYPRK-QGZVFWFLSA-N 1 2 342.468 2.432 20 30 EEEDLO Cc1nc(N2CCN(C(=O)Nc3cccc(C#N)c3C)CC2)cc[nH+]1 ZINC000184097833 534755209 /nfs/dbraw/zinc/75/52/09/534755209.db2.gz IYRDWEQTNNOKKM-UHFFFAOYSA-N 1 2 336.399 2.319 20 30 EEEDLO O=C(Nc1cccc2c1OCCC2=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330259455 534775250 /nfs/dbraw/zinc/77/52/50/534775250.db2.gz SBUVMNLSQGTRFV-NSHDSACASA-N 1 2 326.356 2.189 20 30 EEEDLO C=CCN(Cc1ccccc1)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105301606 526355462 /nfs/dbraw/zinc/35/54/62/526355462.db2.gz RUUSOMXNHUVFQD-SJORKVTESA-N 1 2 331.460 2.493 20 30 EEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000171138441 526911870 /nfs/dbraw/zinc/91/18/70/526911870.db2.gz WFYBQEHWPXFYPI-UHFFFAOYSA-N 1 2 347.463 2.347 20 30 EEEDLO C=CC1CC[NH+](Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)CC1 ZINC000111259299 526980667 /nfs/dbraw/zinc/98/06/67/526980667.db2.gz KJCIRGWHRKPKHQ-UHFFFAOYSA-N 1 2 347.440 2.478 20 30 EEEDLO CC(C)[C@H]([NH2+]Cc1ccc(C#N)s1)c1nc(-c2nc[nH]n2)no1 ZINC000129135790 529123054 /nfs/dbraw/zinc/12/30/54/529123054.db2.gz RTDBAMHKHPDNIN-NSHDSACASA-N 1 2 329.389 2.275 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc(Br)cs1 ZINC000730106314 576715980 /nfs/dbraw/zinc/71/59/80/576715980.db2.gz YBEWAPBZUBVWQH-LBPRGKRZSA-N 1 2 327.247 2.224 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(Br)cs1 ZINC000730106314 576715981 /nfs/dbraw/zinc/71/59/81/576715981.db2.gz YBEWAPBZUBVWQH-LBPRGKRZSA-N 1 2 327.247 2.224 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000731671106 577114058 /nfs/dbraw/zinc/11/40/58/577114058.db2.gz AAZKOEZSMCPLEB-HNNXBMFYSA-N 1 2 339.480 2.352 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000731671106 577114059 /nfs/dbraw/zinc/11/40/59/577114059.db2.gz AAZKOEZSMCPLEB-HNNXBMFYSA-N 1 2 339.480 2.352 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1 ZINC000732096346 577147798 /nfs/dbraw/zinc/14/77/98/577147798.db2.gz IYVKGBLRLQWWIF-KRWDZBQOSA-N 1 2 327.428 2.169 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1 ZINC000732096346 577147800 /nfs/dbraw/zinc/14/78/00/577147800.db2.gz IYVKGBLRLQWWIF-KRWDZBQOSA-N 1 2 327.428 2.169 20 30 EEEDLO COC(=O)[C@H](C)C[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000734150187 577278217 /nfs/dbraw/zinc/27/82/17/577278217.db2.gz ZHSIQISEMFUSLN-VXGBXAGGSA-N 1 2 345.424 2.213 20 30 EEEDLO COC(=O)[C@H](C)C[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000734150187 577278220 /nfs/dbraw/zinc/27/82/20/577278220.db2.gz ZHSIQISEMFUSLN-VXGBXAGGSA-N 1 2 345.424 2.213 20 30 EEEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccccc1S(N)(=O)=O ZINC000773113380 577316815 /nfs/dbraw/zinc/31/68/15/577316815.db2.gz IJTQWJWVVJUPAH-UHFFFAOYSA-N 1 2 344.440 2.138 20 30 EEEDLO C#C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CCCO1 ZINC000773201320 577322591 /nfs/dbraw/zinc/32/25/91/577322591.db2.gz VLKJUNAVHVOHTA-IRXDYDNUSA-N 1 2 342.443 2.052 20 30 EEEDLO C#C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@@H]1CCCO1 ZINC000773558003 577350907 /nfs/dbraw/zinc/35/09/07/577350907.db2.gz LXQASOJOISTGQU-MSOLQXFVSA-N 1 2 344.459 2.266 20 30 EEEDLO CN(C)S(=O)(=O)c1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)o1 ZINC000775430367 577437101 /nfs/dbraw/zinc/43/71/01/577437101.db2.gz FASDUCRKFSZZKA-UHFFFAOYSA-N 1 2 345.424 2.180 20 30 EEEDLO CCOC(=O)N1CCC[C@H]([C@@H](C)/[NH+]=C/c2ccc(O)c(O)c2O)C1 ZINC000776722266 577466489 /nfs/dbraw/zinc/46/64/89/577466489.db2.gz PRIKGVSBGWVIGK-MPVQVLGCSA-N 1 2 336.388 2.479 20 30 EEEDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766634763 577522587 /nfs/dbraw/zinc/52/25/87/577522587.db2.gz ZXFKQABEEPUQAX-GOSISDBHSA-N 1 2 337.427 2.045 20 30 EEEDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766634763 577522588 /nfs/dbraw/zinc/52/25/88/577522588.db2.gz ZXFKQABEEPUQAX-GOSISDBHSA-N 1 2 337.427 2.045 20 30 EEEDLO CC#CCCCC(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000767667120 577542538 /nfs/dbraw/zinc/54/25/38/577542538.db2.gz GUHKCDWBZLBKLY-UHFFFAOYSA-N 1 2 348.468 2.129 20 30 EEEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)N(CC)CC)CC2)cc1 ZINC000768293614 577553343 /nfs/dbraw/zinc/55/33/43/577553343.db2.gz BECZAMLYXGZMLY-UHFFFAOYSA-N 1 2 329.444 2.278 20 30 EEEDLO N#Cc1cc(Cl)nc(N[NH+]=Cc2cnc(N3CCCC3)nc2)c1 ZINC000768381449 577554699 /nfs/dbraw/zinc/55/46/99/577554699.db2.gz GWRIPAQBKZZHBY-UHFFFAOYSA-N 1 2 327.779 2.443 20 30 EEEDLO N#C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCN1Cc1ccccc1 ZINC000770077382 577590142 /nfs/dbraw/zinc/59/01/42/577590142.db2.gz AUSDMLITKBCAFM-KRWDZBQOSA-N 1 2 345.406 2.184 20 30 EEEDLO N#Cc1ccc(N2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)c(F)c1 ZINC000770414801 577595780 /nfs/dbraw/zinc/59/57/80/577595780.db2.gz GOQXXVIKESWRRB-UHFFFAOYSA-N 1 2 349.369 2.307 20 30 EEEDLO C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)C[N@@H+]1C ZINC000761805424 577689452 /nfs/dbraw/zinc/68/94/52/577689452.db2.gz CXXVNIHZFGLTBQ-SECBINFHSA-N 1 2 335.351 2.472 20 30 EEEDLO C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)C[N@H+]1C ZINC000761805424 577689453 /nfs/dbraw/zinc/68/94/53/577689453.db2.gz CXXVNIHZFGLTBQ-SECBINFHSA-N 1 2 335.351 2.472 20 30 EEEDLO CN(C)c1ccc(C=[NH+]Nc2ccc(-n3ccnc3)nn2)cc1F ZINC000761840097 577689872 /nfs/dbraw/zinc/68/98/72/577689872.db2.gz XVSUSIIOPUOKNS-UHFFFAOYSA-N 1 2 325.351 2.313 20 30 EEEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1ccc2c(c1)CCC(=O)N2 ZINC000761855263 577690183 /nfs/dbraw/zinc/69/01/83/577690183.db2.gz MTHQPYNREXZVAQ-UHFFFAOYSA-N 1 2 347.382 2.383 20 30 EEEDLO C[C@@H]1C[N@H+](C)CC1N=Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000752161094 577766805 /nfs/dbraw/zinc/76/68/05/577766805.db2.gz PNNBUMZSAKFERV-SECBINFHSA-N 1 2 335.351 2.330 20 30 EEEDLO C[C@@H]1C[N@@H+](C)CC1N=Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000752161094 577766806 /nfs/dbraw/zinc/76/68/06/577766806.db2.gz PNNBUMZSAKFERV-SECBINFHSA-N 1 2 335.351 2.330 20 30 EEEDLO CC(=NN=Cc1c(-n2cc[nH+]c2)nc2ccccn12)c1cnccn1 ZINC000755754181 577830468 /nfs/dbraw/zinc/83/04/68/577830468.db2.gz MUTKXWOKPULPGK-UHFFFAOYSA-N 1 2 330.355 2.153 20 30 EEEDLO N#CCCN(Cc1cccnc1)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000745382746 577913190 /nfs/dbraw/zinc/91/31/90/577913190.db2.gz PYDXMDJLYWMPER-UHFFFAOYSA-N 1 2 332.367 2.218 20 30 EEEDLO C#CCN(CC#CC)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000745825056 577919121 /nfs/dbraw/zinc/91/91/21/577919121.db2.gz CNZWPTXGAACXRF-INIZCTEOSA-N 1 2 333.382 2.236 20 30 EEEDLO N#CCCNC(=O)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000749449161 577976549 /nfs/dbraw/zinc/97/65/49/577976549.db2.gz NCUSKIXSFYDUIE-QGZVFWFLSA-N 1 2 328.803 2.444 20 30 EEEDLO Cc1cc(C(=O)N[C@H](C)C2C[NH+](CC#Cc3ccc(F)cc3)C2)no1 ZINC000969264099 674764811 /nfs/dbraw/zinc/76/48/11/674764811.db2.gz WDHOCXDGVMPAOS-CQSZACIVSA-N 1 2 341.386 2.224 20 30 EEEDLO Cc1ocnc1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969362999 674888786 /nfs/dbraw/zinc/88/87/86/674888786.db2.gz VVJLCANPZACGQW-LLVKDONJSA-N 1 2 342.374 2.244 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]([NH2+]Cc3noc(CC(C)C)n3)C2)C1 ZINC001020563307 675135605 /nfs/dbraw/zinc/13/56/05/675135605.db2.gz BURJKGBFUNPFEL-HDJSIYSDSA-N 1 2 332.448 2.361 20 30 EEEDLO C=C(Cl)CN1CC([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000969674810 675160948 /nfs/dbraw/zinc/16/09/48/675160948.db2.gz QJYIXCMLVXUEEZ-ZDUSSCGKSA-N 1 2 332.835 2.445 20 30 EEEDLO C[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970444781 675900381 /nfs/dbraw/zinc/90/03/81/675900381.db2.gz LHFHDUCCTHUWBS-SNUQEOBHSA-N 1 2 345.418 2.201 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2nocc2C)C1 ZINC000970559681 675985406 /nfs/dbraw/zinc/98/54/06/675985406.db2.gz DBYUHODDBVHBMH-HFTRVMKXSA-N 1 2 347.459 2.291 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccns2)C1 ZINC000970560243 675983732 /nfs/dbraw/zinc/98/37/32/675983732.db2.gz LOOCGYMZNMQEFQ-COXVUDFISA-N 1 2 349.500 2.451 20 30 EEEDLO Cc1conc1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970703711 676091055 /nfs/dbraw/zinc/09/10/55/676091055.db2.gz WUGQANWHONLLKW-LBPRGKRZSA-N 1 2 342.374 2.244 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](CC=C(Cl)Cl)C2)nc1 ZINC000970764071 676135773 /nfs/dbraw/zinc/13/57/73/676135773.db2.gz QFIDSMGAACQBRB-LLVKDONJSA-N 1 2 338.238 2.432 20 30 EEEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)cc1 ZINC000175877060 676144907 /nfs/dbraw/zinc/14/49/07/676144907.db2.gz IMQPZFDVXNZYSB-UHFFFAOYSA-N 1 2 337.427 2.351 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2snnc2C2CC2)C1 ZINC000969890775 675286827 /nfs/dbraw/zinc/28/68/27/675286827.db2.gz LRHZDVNWELXEPT-VIFPVBQESA-N 1 2 326.853 2.218 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc3c(c2)ncn3C)C1 ZINC000970002750 675376437 /nfs/dbraw/zinc/37/64/37/675376437.db2.gz XVTQJVLGAGHROP-LBPRGKRZSA-N 1 2 332.835 2.376 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)cc3F)C2)[nH]1 ZINC001010643850 675786910 /nfs/dbraw/zinc/78/69/10/675786910.db2.gz NTMQKEPEMICEKM-CQSZACIVSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)cc3F)C2)[nH]1 ZINC001010643850 675786913 /nfs/dbraw/zinc/78/69/13/675786913.db2.gz NTMQKEPEMICEKM-CQSZACIVSA-N 1 2 330.338 2.169 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(C)ccc2=O)C1 ZINC001021631497 676285894 /nfs/dbraw/zinc/28/58/94/676285894.db2.gz XKWYCLHDPBFRAC-GOEBONIOSA-N 1 2 349.862 2.064 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn(C)ccc2=O)C1 ZINC001021631497 676285896 /nfs/dbraw/zinc/28/58/96/676285896.db2.gz XKWYCLHDPBFRAC-GOEBONIOSA-N 1 2 349.862 2.064 20 30 EEEDLO CS[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971106313 676376781 /nfs/dbraw/zinc/37/67/81/676376781.db2.gz COYIZFSQXBOTHG-MLGOLLRUSA-N 1 2 335.448 2.482 20 30 EEEDLO CS[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971106313 676376782 /nfs/dbraw/zinc/37/67/82/676376782.db2.gz COYIZFSQXBOTHG-MLGOLLRUSA-N 1 2 335.448 2.482 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CC2CCOCC2)C1 ZINC000971236130 676450330 /nfs/dbraw/zinc/45/03/30/676450330.db2.gz PSSITPOTLJKOJR-AWEZNQCLSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)CC2CCOCC2)C1 ZINC000971236130 676450331 /nfs/dbraw/zinc/45/03/31/676450331.db2.gz PSSITPOTLJKOJR-AWEZNQCLSA-N 1 2 345.281 2.244 20 30 EEEDLO Cn1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cc(F)ccc3C#N)C2)c1 ZINC000971338528 676490799 /nfs/dbraw/zinc/49/07/99/676490799.db2.gz WFPZKOXSGBNRPV-GOSISDBHSA-N 1 2 340.402 2.382 20 30 EEEDLO Cn1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(F)ccc3C#N)C2)c1 ZINC000971338528 676490800 /nfs/dbraw/zinc/49/08/00/676490800.db2.gz WFPZKOXSGBNRPV-GOSISDBHSA-N 1 2 340.402 2.382 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)n2cccc2)C1 ZINC000971361745 676500341 /nfs/dbraw/zinc/50/03/41/676500341.db2.gz ROBOXAOPAPPWQN-UONOGXRCSA-N 1 2 340.265 2.490 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)n2cccc2)C1 ZINC000971361745 676500344 /nfs/dbraw/zinc/50/03/44/676500344.db2.gz ROBOXAOPAPPWQN-UONOGXRCSA-N 1 2 340.265 2.490 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@H+](C)Cc2nocc2C)C1 ZINC000971687652 676738311 /nfs/dbraw/zinc/73/83/11/676738311.db2.gz NKQOTVKCLHGTMQ-HNNXBMFYSA-N 1 2 328.416 2.317 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@@H+](C)Cc2nocc2C)C1 ZINC000971687652 676738312 /nfs/dbraw/zinc/73/83/12/676738312.db2.gz NKQOTVKCLHGTMQ-HNNXBMFYSA-N 1 2 328.416 2.317 20 30 EEEDLO CO[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1)C(C)C ZINC000972243660 678447371 /nfs/dbraw/zinc/44/73/71/678447371.db2.gz XPOFFJMHKCIJNZ-QZTJIDSGSA-N 1 2 347.434 2.401 20 30 EEEDLO CO[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1)C(C)C ZINC000972243660 678447375 /nfs/dbraw/zinc/44/73/75/678447375.db2.gz XPOFFJMHKCIJNZ-QZTJIDSGSA-N 1 2 347.434 2.401 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC000972373084 678620561 /nfs/dbraw/zinc/62/05/61/678620561.db2.gz KPUJESZRDRLAGD-XHSDSOJGSA-N 1 2 345.443 2.176 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C3CC3)o2)C1 ZINC000972373084 678620564 /nfs/dbraw/zinc/62/05/64/678620564.db2.gz KPUJESZRDRLAGD-XHSDSOJGSA-N 1 2 345.443 2.176 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(Cl)c3C)C2)C1 ZINC000972391032 678668879 /nfs/dbraw/zinc/66/88/79/678668879.db2.gz KFYILOPVYZZROZ-SFHVURJKSA-N 1 2 332.831 2.199 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(Cl)c3C)C2)C1 ZINC000972391032 678668880 /nfs/dbraw/zinc/66/88/80/678668880.db2.gz KFYILOPVYZZROZ-SFHVURJKSA-N 1 2 332.831 2.199 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3conc3C3CCCC3)C2)C1 ZINC000972405968 678689841 /nfs/dbraw/zinc/68/98/41/678689841.db2.gz WYNBOBZCSNTDKO-LJQANCHMSA-N 1 2 345.443 2.435 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3conc3C3CCCC3)C2)C1 ZINC000972405968 678689843 /nfs/dbraw/zinc/68/98/43/678689843.db2.gz WYNBOBZCSNTDKO-LJQANCHMSA-N 1 2 345.443 2.435 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC=CCCC3)C2)C1 ZINC000972431868 678731340 /nfs/dbraw/zinc/73/13/40/678731340.db2.gz WCDOWMBGIUCZRP-UYAOXDASSA-N 1 2 330.472 2.450 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC=CCCC3)C2)C1 ZINC000972431868 678731341 /nfs/dbraw/zinc/73/13/41/678731341.db2.gz WCDOWMBGIUCZRP-UYAOXDASSA-N 1 2 330.472 2.450 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cccc(OC)c3)C2)C1 ZINC000972462974 678797959 /nfs/dbraw/zinc/79/79/59/678797959.db2.gz NCKPFJDMDZVXFN-HXUWFJFHSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cccc(OC)c3)C2)C1 ZINC000972462974 678797962 /nfs/dbraw/zinc/79/79/62/678797962.db2.gz NCKPFJDMDZVXFN-HXUWFJFHSA-N 1 2 344.455 2.117 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC000972507801 679115653 /nfs/dbraw/zinc/11/56/53/679115653.db2.gz DCGVEUMAJXJISY-ULQDDVLXSA-N 1 2 333.432 2.079 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC000972507801 679115655 /nfs/dbraw/zinc/11/56/55/679115655.db2.gz DCGVEUMAJXJISY-ULQDDVLXSA-N 1 2 333.432 2.079 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nccc4ccccc43)C2)C1 ZINC000972524708 679162156 /nfs/dbraw/zinc/16/21/56/679162156.db2.gz VVPQJTNXNBAXEA-OAQYLSRUSA-N 1 2 349.434 2.175 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3nccc4ccccc43)C2)C1 ZINC000972524708 679162158 /nfs/dbraw/zinc/16/21/58/679162158.db2.gz VVPQJTNXNBAXEA-OAQYLSRUSA-N 1 2 349.434 2.175 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(OC)cc3C)C2)C1 ZINC000972529116 679183400 /nfs/dbraw/zinc/18/34/00/679183400.db2.gz YSINVQVJQPVVJX-LJQANCHMSA-N 1 2 330.428 2.107 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(OC)cc3C)C2)C1 ZINC000972529116 679183401 /nfs/dbraw/zinc/18/34/01/679183401.db2.gz YSINVQVJQPVVJX-LJQANCHMSA-N 1 2 330.428 2.107 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4cc[nH]c43)C2)C1 ZINC000972562914 679296728 /nfs/dbraw/zinc/29/67/28/679296728.db2.gz HXAYUKZPNSCVHY-FQEVSTJZSA-N 1 2 337.423 2.108 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4cc[nH]c43)C2)C1 ZINC000972562914 679296730 /nfs/dbraw/zinc/29/67/30/679296730.db2.gz HXAYUKZPNSCVHY-FQEVSTJZSA-N 1 2 337.423 2.108 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](c3ccccc3)C(C)C)C2)C1 ZINC000972570156 679323462 /nfs/dbraw/zinc/32/34/62/679323462.db2.gz TYEMYYKMVAEELX-TZIWHRDSSA-N 1 2 340.467 2.363 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](c3ccccc3)C(C)C)C2)C1 ZINC000972570156 679323463 /nfs/dbraw/zinc/32/34/63/679323463.db2.gz TYEMYYKMVAEELX-TZIWHRDSSA-N 1 2 340.467 2.363 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4cnccc4c3)C2)C1 ZINC000972623766 679445045 /nfs/dbraw/zinc/44/50/45/679445045.db2.gz FBYOMNCBILRSFF-HXUWFJFHSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4cnccc4c3)C2)C1 ZINC000972623766 679445046 /nfs/dbraw/zinc/44/50/46/679445046.db2.gz FBYOMNCBILRSFF-HXUWFJFHSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3OCc4ccccc43)C2)C1 ZINC000972658348 679521649 /nfs/dbraw/zinc/52/16/49/679521649.db2.gz DODWOHMAVNGCRT-AZUAARDMSA-N 1 2 342.439 2.137 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3OCc4ccccc43)C2)C1 ZINC000972658348 679521651 /nfs/dbraw/zinc/52/16/51/679521651.db2.gz DODWOHMAVNGCRT-AZUAARDMSA-N 1 2 342.439 2.137 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3cccc(Cl)c3)C2)C1 ZINC000972683009 679597263 /nfs/dbraw/zinc/59/72/63/679597263.db2.gz KUKLSGSFQVJDIH-KXBFYZLASA-N 1 2 346.858 2.380 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3cccc(Cl)c3)C2)C1 ZINC000972683009 679597266 /nfs/dbraw/zinc/59/72/66/679597266.db2.gz KUKLSGSFQVJDIH-KXBFYZLASA-N 1 2 346.858 2.380 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccccc3C)C2)C1 ZINC000972684245 679599352 /nfs/dbraw/zinc/59/93/52/679599352.db2.gz JLZBUQULELGKLR-YLJYHZDGSA-N 1 2 326.440 2.035 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccccc3C)C2)C1 ZINC000972684245 679599354 /nfs/dbraw/zinc/59/93/54/679599354.db2.gz JLZBUQULELGKLR-YLJYHZDGSA-N 1 2 326.440 2.035 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4c3CCC4)C2)C1 ZINC000972691937 679612892 /nfs/dbraw/zinc/61/28/92/679612892.db2.gz KEOYWJXUTMJNCV-FQEVSTJZSA-N 1 2 326.440 2.278 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4c3CCC4)C2)C1 ZINC000972691937 679612894 /nfs/dbraw/zinc/61/28/94/679612894.db2.gz KEOYWJXUTMJNCV-FQEVSTJZSA-N 1 2 326.440 2.278 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1CNC(=O)c1cnsn1 ZINC001024341522 679877400 /nfs/dbraw/zinc/87/74/00/679877400.db2.gz IFNBHYPDEXAQBT-HNNXBMFYSA-N 1 2 341.440 2.194 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnsn1 ZINC001024341522 679877401 /nfs/dbraw/zinc/87/74/01/679877401.db2.gz IFNBHYPDEXAQBT-HNNXBMFYSA-N 1 2 341.440 2.194 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccns2)c1 ZINC001024381027 679885803 /nfs/dbraw/zinc/88/58/03/679885803.db2.gz WHSQABRDPSDWPH-ZDUSSCGKSA-N 1 2 329.429 2.127 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccns2)c1 ZINC001024381027 679885804 /nfs/dbraw/zinc/88/58/04/679885804.db2.gz WHSQABRDPSDWPH-ZDUSSCGKSA-N 1 2 329.429 2.127 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc(N(C)C)nc2)C(C)(C)C1 ZINC000974759604 685389416 /nfs/dbraw/zinc/38/94/16/685389416.db2.gz MVYOGVMYTGOCMO-AWEZNQCLSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc(N(C)C)nc2)C(C)(C)C1 ZINC000974759604 685389422 /nfs/dbraw/zinc/38/94/22/685389422.db2.gz MVYOGVMYTGOCMO-AWEZNQCLSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1nnn(CC)c1CC ZINC001024649214 681319315 /nfs/dbraw/zinc/31/93/15/681319315.db2.gz RIECFJWCIWNOBE-CYBMUJFWSA-N 1 2 339.871 2.197 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1nnn(CC)c1CC ZINC001024649214 681319319 /nfs/dbraw/zinc/31/93/19/681319319.db2.gz RIECFJWCIWNOBE-CYBMUJFWSA-N 1 2 339.871 2.197 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnc2cccnn21 ZINC001024697461 681355788 /nfs/dbraw/zinc/35/57/88/681355788.db2.gz ZWOFINZPIKYHLI-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnc2cccnn21 ZINC001024697461 681355791 /nfs/dbraw/zinc/35/57/91/681355791.db2.gz ZWOFINZPIKYHLI-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@]2(C)C[N@H+](Cc3nncn3C)C[C@]2(C)C1 ZINC000982508279 681394880 /nfs/dbraw/zinc/39/48/80/681394880.db2.gz TWXOAINSLZXKKV-QRVBRYPASA-N 1 2 345.491 2.088 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@]2(C)C[N@@H+](Cc3nncn3C)C[C@]2(C)C1 ZINC000982508279 681394884 /nfs/dbraw/zinc/39/48/84/681394884.db2.gz TWXOAINSLZXKKV-QRVBRYPASA-N 1 2 345.491 2.088 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnc(C)o1 ZINC001024983800 681670952 /nfs/dbraw/zinc/67/09/52/681670952.db2.gz ZTVUPRMUDZJVSY-OAHLLOKOSA-N 1 2 343.431 2.150 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000983077989 681751617 /nfs/dbraw/zinc/75/16/17/681751617.db2.gz FDQHHLJEKQWBPO-AWEZNQCLSA-N 1 2 340.427 2.125 20 30 EEEDLO CC1(C)C[N@H+](Cc2cncc(F)c2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973053415 681948219 /nfs/dbraw/zinc/94/82/19/681948219.db2.gz ZRZDHYDMMLAXPV-MRXNPFEDSA-N 1 2 341.390 2.061 20 30 EEEDLO CC1(C)C[N@@H+](Cc2cncc(F)c2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973053415 681948221 /nfs/dbraw/zinc/94/82/21/681948221.db2.gz ZRZDHYDMMLAXPV-MRXNPFEDSA-N 1 2 341.390 2.061 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2nc(C)c[nH]2)C[C@@H]1C ZINC000947789013 682711351 /nfs/dbraw/zinc/71/13/51/682711351.db2.gz NSQJZVGNXSCFDA-NWDGAFQWSA-N 1 2 341.253 2.209 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2nc(C)c[nH]2)C[C@@H]1C ZINC000947789013 682711354 /nfs/dbraw/zinc/71/13/54/682711354.db2.gz NSQJZVGNXSCFDA-NWDGAFQWSA-N 1 2 341.253 2.209 20 30 EEEDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCN(CC#N)C1 ZINC001025493510 682919473 /nfs/dbraw/zinc/91/94/73/682919473.db2.gz OUAZNXGLKWQNEN-DOTOQJQBSA-N 1 2 337.427 2.226 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001025724082 683248621 /nfs/dbraw/zinc/24/86/21/683248621.db2.gz REUZOZCRFYHJMT-AEZKZLSMSA-N 1 2 339.277 2.378 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001025724082 683248629 /nfs/dbraw/zinc/24/86/29/683248629.db2.gz REUZOZCRFYHJMT-AEZKZLSMSA-N 1 2 339.277 2.378 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H](F)C1 ZINC001025778546 683269273 /nfs/dbraw/zinc/26/92/73/683269273.db2.gz UUWLRJBXMUOKNJ-BJJPWKGXSA-N 1 2 345.256 2.470 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H](F)C1 ZINC001025778546 683269278 /nfs/dbraw/zinc/26/92/78/683269278.db2.gz UUWLRJBXMUOKNJ-BJJPWKGXSA-N 1 2 345.256 2.470 20 30 EEEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2nsnc21 ZINC001029244795 683678322 /nfs/dbraw/zinc/67/83/22/683678322.db2.gz MAJFKIMRTQXXFE-FPMFFAJLSA-N 1 2 341.440 2.026 20 30 EEEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2nsnc21 ZINC001029244795 683678326 /nfs/dbraw/zinc/67/83/26/683678326.db2.gz MAJFKIMRTQXXFE-FPMFFAJLSA-N 1 2 341.440 2.026 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cnccn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000992985085 683715042 /nfs/dbraw/zinc/71/50/42/683715042.db2.gz WLGDUZPFEBHMNP-RHSMWYFYSA-N 1 2 335.411 2.131 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cnccn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000992985085 683715043 /nfs/dbraw/zinc/71/50/43/683715043.db2.gz WLGDUZPFEBHMNP-RHSMWYFYSA-N 1 2 335.411 2.131 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001031090087 683715984 /nfs/dbraw/zinc/71/59/84/683715984.db2.gz YBMJDFYSWAHPBL-HKUYNNGSSA-N 1 2 339.439 2.450 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)cnn1 ZINC001029285650 683843362 /nfs/dbraw/zinc/84/33/62/683843362.db2.gz BMRDKBNVKTVWFY-BGYRXZFFSA-N 1 2 346.434 2.126 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)cnn1 ZINC001029285650 683843365 /nfs/dbraw/zinc/84/33/65/683843365.db2.gz BMRDKBNVKTVWFY-BGYRXZFFSA-N 1 2 346.434 2.126 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cocn2)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000993108473 683931989 /nfs/dbraw/zinc/93/19/89/683931989.db2.gz PNCDFLBDOZOPGH-MLGOLLRUSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cocn2)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000993108473 683931991 /nfs/dbraw/zinc/93/19/91/683931991.db2.gz PNCDFLBDOZOPGH-MLGOLLRUSA-N 1 2 342.374 2.468 20 30 EEEDLO CC(=O)OC1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000153447755 684036428 /nfs/dbraw/zinc/03/64/28/684036428.db2.gz VBGDPSNSKAULNE-LLVKDONJSA-N 1 2 333.388 2.123 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC000978722964 693837595 /nfs/dbraw/zinc/83/75/95/693837595.db2.gz XHYKTVZSQOGRAW-GVMKUTHQSA-N 1 2 345.270 2.191 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC000978722964 693837599 /nfs/dbraw/zinc/83/75/99/693837599.db2.gz XHYKTVZSQOGRAW-GVMKUTHQSA-N 1 2 345.270 2.191 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000895463829 684610387 /nfs/dbraw/zinc/61/03/87/684610387.db2.gz FNUVESOGPHZQFE-HXUWFJFHSA-N 1 2 334.419 2.299 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000895463829 684610390 /nfs/dbraw/zinc/61/03/90/684610390.db2.gz FNUVESOGPHZQFE-HXUWFJFHSA-N 1 2 334.419 2.299 20 30 EEEDLO Cc1nocc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001029451441 684683828 /nfs/dbraw/zinc/68/38/28/684683828.db2.gz XMVMOSMMLADVMK-CALCHBBNSA-N 1 2 336.395 2.344 20 30 EEEDLO Cc1nocc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001029451441 684683829 /nfs/dbraw/zinc/68/38/29/684683829.db2.gz XMVMOSMMLADVMK-CALCHBBNSA-N 1 2 336.395 2.344 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)C(=O)NC2CC2)CC1 ZINC001029453329 684697033 /nfs/dbraw/zinc/69/70/33/684697033.db2.gz RQMCMVHMQZCHAB-OLMNPRSZSA-N 1 2 345.487 2.075 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(=O)NC2CC2)CC1 ZINC001029453329 684697035 /nfs/dbraw/zinc/69/70/35/684697035.db2.gz RQMCMVHMQZCHAB-OLMNPRSZSA-N 1 2 345.487 2.075 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)o1 ZINC000974472842 684963926 /nfs/dbraw/zinc/96/39/26/684963926.db2.gz PKLNSANWUUUTIG-IUODEOHRSA-N 1 2 341.415 2.384 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)o1 ZINC000974472842 684963928 /nfs/dbraw/zinc/96/39/28/684963928.db2.gz PKLNSANWUUUTIG-IUODEOHRSA-N 1 2 341.415 2.384 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(F)cn2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974472776 684963932 /nfs/dbraw/zinc/96/39/32/684963932.db2.gz ONPBKBAOZRMNQT-MRXNPFEDSA-N 1 2 341.390 2.061 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(F)cn2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974472776 684963934 /nfs/dbraw/zinc/96/39/34/684963934.db2.gz ONPBKBAOZRMNQT-MRXNPFEDSA-N 1 2 341.390 2.061 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)o2)CC1(C)C ZINC000974590124 685090204 /nfs/dbraw/zinc/09/02/04/685090204.db2.gz ZIFSZSXXXJPFOW-OWCLPIDISA-N 1 2 347.459 2.291 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ncc(C)o2)CC1(C)C ZINC000974590124 685090211 /nfs/dbraw/zinc/09/02/11/685090211.db2.gz ZIFSZSXXXJPFOW-OWCLPIDISA-N 1 2 347.459 2.291 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)c1cnco1 ZINC000974872106 685659053 /nfs/dbraw/zinc/65/90/53/685659053.db2.gz QMCYWOZYEJFQHN-INIZCTEOSA-N 1 2 342.374 2.326 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)c1cnco1 ZINC000974872106 685659058 /nfs/dbraw/zinc/65/90/58/685659058.db2.gz QMCYWOZYEJFQHN-INIZCTEOSA-N 1 2 342.374 2.326 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2cc(Cl)cn2)C(C)(C)C1 ZINC000975099799 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YHLKTJGNMWXMOI-OAHLLOKOSA-N 1 2 341.415 2.276 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)oc1C ZINC001034174323 1195872261 /nfs/dbraw/zinc/87/22/61/1195872261.db2.gz YHLKTJGNMWXMOI-OAHLLOKOSA-N 1 2 341.415 2.276 20 30 EEEDLO CC#CCN1CCCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034229469 1195965471 /nfs/dbraw/zinc/96/54/71/1195965471.db2.gz QZARYVYOQASKST-INIZCTEOSA-N 1 2 333.501 2.417 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnc(C)nc2OC)C1 ZINC001034237246 1195986867 /nfs/dbraw/zinc/98/68/67/1195986867.db2.gz RMZQEZBVIMNAIE-CYBMUJFWSA-N 1 2 338.839 2.130 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnc(C)nc2OC)C1 ZINC001034237246 1195986870 /nfs/dbraw/zinc/98/68/70/1195986870.db2.gz RMZQEZBVIMNAIE-CYBMUJFWSA-N 1 2 338.839 2.130 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](Cc3nccn3C)C2)cc1 ZINC001034339805 1196112362 /nfs/dbraw/zinc/11/23/62/1196112362.db2.gz MIVBUSAIFSESMF-SFHVURJKSA-N 1 2 336.439 2.186 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](Cc3nccn3C)C2)cc1 ZINC001034339805 1196112366 /nfs/dbraw/zinc/11/23/66/1196112366.db2.gz MIVBUSAIFSESMF-SFHVURJKSA-N 1 2 336.439 2.186 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc3ncn(C)c3n2)C1 ZINC001034398298 1196189108 /nfs/dbraw/zinc/18/91/08/1196189108.db2.gz NQZZASWQIUBMCS-ZDUSSCGKSA-N 1 2 347.850 2.305 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc3ncn(C)c3n2)C1 ZINC001034398298 1196189110 /nfs/dbraw/zinc/18/91/10/1196189110.db2.gz NQZZASWQIUBMCS-ZDUSSCGKSA-N 1 2 347.850 2.305 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001061762927 1196426264 /nfs/dbraw/zinc/42/62/64/1196426264.db2.gz DBDHADGKYYWFNU-HNNXBMFYSA-N 1 2 325.416 2.029 20 30 EEEDLO CC(C)[C@@H](F)C(=O)NC[C@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108139744 1196520711 /nfs/dbraw/zinc/52/07/11/1196520711.db2.gz FDKFHFAMZHKTFH-IEBWSBKVSA-N 1 2 347.434 2.259 20 30 EEEDLO CC(C)[C@@H](F)C(=O)NC[C@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108139744 1196520715 /nfs/dbraw/zinc/52/07/15/1196520715.db2.gz FDKFHFAMZHKTFH-IEBWSBKVSA-N 1 2 347.434 2.259 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1cccc(OC)c1 ZINC001018143167 1224387047 /nfs/dbraw/zinc/38/70/47/1224387047.db2.gz CHJFCXFCRAQWNF-CALCHBBNSA-N 1 2 326.440 2.281 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1cccc(OC)c1 ZINC001018143167 1224387054 /nfs/dbraw/zinc/38/70/54/1224387054.db2.gz CHJFCXFCRAQWNF-CALCHBBNSA-N 1 2 326.440 2.281 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001014826517 1224408798 /nfs/dbraw/zinc/40/87/98/1224408798.db2.gz GIBYETOLKFVBET-KRWDZBQOSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001014826517 1224408802 /nfs/dbraw/zinc/40/88/02/1224408802.db2.gz GIBYETOLKFVBET-KRWDZBQOSA-N 1 2 345.406 2.439 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(OC)cc2C#N)C1=O ZINC001273236394 1197637881 /nfs/dbraw/zinc/63/78/81/1197637881.db2.gz FUXOBAGVYDPHNM-LJQANCHMSA-N 1 2 325.412 2.320 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(OC)cc2C#N)C1=O ZINC001273236394 1197637882 /nfs/dbraw/zinc/63/78/82/1197637882.db2.gz FUXOBAGVYDPHNM-LJQANCHMSA-N 1 2 325.412 2.320 20 30 EEEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(F)ccc(F)c1F)CC2 ZINC001273287528 1197960145 /nfs/dbraw/zinc/96/01/45/1197960145.db2.gz YLVYGENUDAATKC-CYBMUJFWSA-N 1 2 336.357 2.455 20 30 EEEDLO C#CCN1CC2(C[NH+](Cc3ccc(C)c4ccccc34)C2)OCC1=O ZINC001273295471 1197971228 /nfs/dbraw/zinc/97/12/28/1197971228.db2.gz SBLFMFBYISJLIE-UHFFFAOYSA-N 1 2 334.419 2.195 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cc(F)ccc1F ZINC001018197119 1224453628 /nfs/dbraw/zinc/45/36/28/1224453628.db2.gz DVUHDMPUHRUEBO-GASCZTMLSA-N 1 2 334.366 2.042 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cc(F)ccc1F ZINC001018197119 1224453633 /nfs/dbraw/zinc/45/36/33/1224453633.db2.gz DVUHDMPUHRUEBO-GASCZTMLSA-N 1 2 334.366 2.042 20 30 EEEDLO Fc1cccc(N=NCc2ccc(OCC[NH+]3CCOCC3)cc2)n1 ZINC000872373704 1198161067 /nfs/dbraw/zinc/16/10/67/1198161067.db2.gz NHQLIZJLKARUOF-UHFFFAOYSA-N 1 2 344.390 2.378 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874707069 1198956769 /nfs/dbraw/zinc/95/67/69/1198956769.db2.gz FNGXLNVXEGYCFI-HNNXBMFYSA-N 1 2 348.443 2.101 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874707069 1198956774 /nfs/dbraw/zinc/95/67/74/1198956774.db2.gz FNGXLNVXEGYCFI-HNNXBMFYSA-N 1 2 348.443 2.101 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cncc(OC)n2)C1 ZINC001132073626 1199265823 /nfs/dbraw/zinc/26/58/23/1199265823.db2.gz XFRJGLKZFAWOTD-GJZGRUSLSA-N 1 2 332.448 2.311 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cncc(OC)n2)C1 ZINC001132073626 1199265828 /nfs/dbraw/zinc/26/58/28/1199265828.db2.gz XFRJGLKZFAWOTD-GJZGRUSLSA-N 1 2 332.448 2.311 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3cc(C)n(C)n3)C2)CCC1 ZINC001132101026 1199292915 /nfs/dbraw/zinc/29/29/15/1199292915.db2.gz GAYHCXAFEOGYIG-WBVHZDCISA-N 1 2 342.487 2.391 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3cc(C)n(C)n3)C2)CCC1 ZINC001132101026 1199292917 /nfs/dbraw/zinc/29/29/17/1199292917.db2.gz GAYHCXAFEOGYIG-WBVHZDCISA-N 1 2 342.487 2.391 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)N(C(=O)CC)CC2 ZINC000888679788 1199387298 /nfs/dbraw/zinc/38/72/98/1199387298.db2.gz MHJLEABMUIBGFV-INIZCTEOSA-N 1 2 325.412 2.022 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)N(C(=O)CC)CC2 ZINC000888679788 1199387304 /nfs/dbraw/zinc/38/73/04/1199387304.db2.gz MHJLEABMUIBGFV-INIZCTEOSA-N 1 2 325.412 2.022 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)CC[C@H]1C ZINC001132214348 1199437021 /nfs/dbraw/zinc/43/70/21/1199437021.db2.gz GBHQASJLAPIJEX-KGLIPLIRSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)CC[C@H]1C ZINC001132214348 1199437024 /nfs/dbraw/zinc/43/70/24/1199437024.db2.gz GBHQASJLAPIJEX-KGLIPLIRSA-N 1 2 343.899 2.260 20 30 EEEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2nc(C(C)C)no2)cc1 ZINC001132226830 1199467004 /nfs/dbraw/zinc/46/70/04/1199467004.db2.gz PZRLOTAZZAPZDH-ZDUSSCGKSA-N 1 2 326.400 2.255 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3cnnn3C)C2)CCC1 ZINC001132281247 1199515068 /nfs/dbraw/zinc/51/50/68/1199515068.db2.gz AZKOUJVBMDKNQN-HUUCEWRRSA-N 1 2 331.464 2.031 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3cnnn3C)C2)CCC1 ZINC001132281247 1199515069 /nfs/dbraw/zinc/51/50/69/1199515069.db2.gz AZKOUJVBMDKNQN-HUUCEWRRSA-N 1 2 331.464 2.031 20 30 EEEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000876530993 1199659071 /nfs/dbraw/zinc/65/90/71/1199659071.db2.gz XLQPMKVWRURXGZ-UHFFFAOYSA-N 1 2 329.853 2.359 20 30 EEEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000876530993 1199659081 /nfs/dbraw/zinc/65/90/81/1199659081.db2.gz XLQPMKVWRURXGZ-UHFFFAOYSA-N 1 2 329.853 2.359 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2cc(C)c(CC)o2)CC[C@H]1C ZINC001132419580 1199669463 /nfs/dbraw/zinc/66/94/63/1199669463.db2.gz DZICJHUWSPTQPR-HUUCEWRRSA-N 1 2 347.459 2.035 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2cc(C)c(CC)o2)CC[C@H]1C ZINC001132419580 1199669466 /nfs/dbraw/zinc/66/94/66/1199669466.db2.gz DZICJHUWSPTQPR-HUUCEWRRSA-N 1 2 347.459 2.035 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CNC(=O)c2ccccc2)CC[C@@H]1C ZINC001132434137 1199703762 /nfs/dbraw/zinc/70/37/62/1199703762.db2.gz UIYIAXKWAQDCAE-HOCLYGCPSA-N 1 2 349.862 2.138 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2ccccc2)CC[C@@H]1C ZINC001132434137 1199703765 /nfs/dbraw/zinc/70/37/65/1199703765.db2.gz UIYIAXKWAQDCAE-HOCLYGCPSA-N 1 2 349.862 2.138 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)COCc2cccnc2)CC[C@@H]1C ZINC001132448109 1199737388 /nfs/dbraw/zinc/73/73/88/1199737388.db2.gz FIDNQUGXZVUELD-GOEBONIOSA-N 1 2 337.851 2.320 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)COCc2cccnc2)CC[C@@H]1C ZINC001132448109 1199737391 /nfs/dbraw/zinc/73/73/91/1199737391.db2.gz FIDNQUGXZVUELD-GOEBONIOSA-N 1 2 337.851 2.320 20 30 EEEDLO N#CCOc1ccc(C[NH+]2CCN(c3nccnc3Cl)CC2)cc1 ZINC001137115209 1199856099 /nfs/dbraw/zinc/85/60/99/1199856099.db2.gz CDIBZBSMCLPIAC-UHFFFAOYSA-N 1 2 343.818 2.355 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nc(Cc2ccccc2)no1 ZINC001132575783 1199873954 /nfs/dbraw/zinc/87/39/54/1199873954.db2.gz DDKDJRDMQYCUIE-HUUCEWRRSA-N 1 2 342.443 2.324 20 30 EEEDLO C=C1CCC(C(=O)NCC[NH2+]Cc2nc(CC(F)(F)F)no2)CC1 ZINC001133373912 1200810924 /nfs/dbraw/zinc/81/09/24/1200810924.db2.gz KOCJBODGGZRJGX-UHFFFAOYSA-N 1 2 346.353 2.127 20 30 EEEDLO C=CCC1(C(=O)NCC[NH2+]Cc2csc(NC(C)=O)n2)CCC1 ZINC001133397088 1200835724 /nfs/dbraw/zinc/83/57/24/1200835724.db2.gz ABRHONMFHOGSOK-UHFFFAOYSA-N 1 2 336.461 2.054 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001018402097 1224680256 /nfs/dbraw/zinc/68/02/56/1224680256.db2.gz ZABZTUSZOMMKKL-GDBMZVCRSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001018402097 1224680261 /nfs/dbraw/zinc/68/02/61/1224680261.db2.gz ZABZTUSZOMMKKL-GDBMZVCRSA-N 1 2 344.459 2.194 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2cc(Cl)cc(C(C)=O)c2O)nn1 ZINC000880999296 1201619736 /nfs/dbraw/zinc/61/97/36/1201619736.db2.gz JVERRUJVHLWCSB-UHFFFAOYSA-N 1 2 332.791 2.001 20 30 EEEDLO C[C@H]1C[C@@H](NC(=O)C(F)F)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000946952290 1201831532 /nfs/dbraw/zinc/83/15/32/1201831532.db2.gz KNXPDASVQFFFGX-HZMBPMFUSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@H]1C[C@@H](NC(=O)C(F)F)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000946952290 1201831535 /nfs/dbraw/zinc/83/15/35/1201831535.db2.gz KNXPDASVQFFFGX-HZMBPMFUSA-N 1 2 325.334 2.432 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(CC#N)cc2)[C@H](CO)C1 ZINC000886351635 1202495538 /nfs/dbraw/zinc/49/55/38/1202495538.db2.gz LDLBTYISAMWFKZ-KRWDZBQOSA-N 1 2 345.443 2.166 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(CC#N)cc2)[C@H](CO)C1 ZINC000886351635 1202495539 /nfs/dbraw/zinc/49/55/39/1202495539.db2.gz LDLBTYISAMWFKZ-KRWDZBQOSA-N 1 2 345.443 2.166 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cnccc1Br ZINC001274246953 1204974213 /nfs/dbraw/zinc/97/42/13/1204974213.db2.gz INZCGIQMESGWOM-HUUCEWRRSA-N 1 2 348.244 2.043 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnccc1Br ZINC001274246953 1204974214 /nfs/dbraw/zinc/97/42/14/1204974214.db2.gz INZCGIQMESGWOM-HUUCEWRRSA-N 1 2 348.244 2.043 20 30 EEEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(Cl)nccc1OC ZINC001274497091 1205057426 /nfs/dbraw/zinc/05/74/26/1205057426.db2.gz SVGHKFHBBSWYQJ-ZIAGYGMSSA-N 1 2 335.835 2.495 20 30 EEEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(Cl)nccc1OC ZINC001274497091 1205057429 /nfs/dbraw/zinc/05/74/29/1205057429.db2.gz SVGHKFHBBSWYQJ-ZIAGYGMSSA-N 1 2 335.835 2.495 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cccc(O)c2)cc1C#N ZINC001275816267 1205547641 /nfs/dbraw/zinc/54/76/41/1205547641.db2.gz PWKNHLJRAWFDLH-HDICACEKSA-N 1 2 336.439 2.451 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cccc(O)c2)cc1C#N ZINC001275816267 1205547642 /nfs/dbraw/zinc/54/76/42/1205547642.db2.gz PWKNHLJRAWFDLH-HDICACEKSA-N 1 2 336.439 2.451 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)nc1C ZINC001015198461 1224895343 /nfs/dbraw/zinc/89/53/43/1224895343.db2.gz PFXCYKWILYSOGV-IBGZPJMESA-N 1 2 348.450 2.258 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)nc1C ZINC001015198461 1224895347 /nfs/dbraw/zinc/89/53/47/1224895347.db2.gz PFXCYKWILYSOGV-IBGZPJMESA-N 1 2 348.450 2.258 20 30 EEEDLO N#Cc1cc(C[N@@H+]2C[C@@H]3OCCN(Cc4ccc[nH]4)[C@H]3C2)ccc1F ZINC001276238443 1205849116 /nfs/dbraw/zinc/84/91/16/1205849116.db2.gz JQFQLBWIYXTNLZ-OALUTQOASA-N 1 2 340.402 2.111 20 30 EEEDLO N#Cc1cc(C[N@H+]2C[C@@H]3OCCN(Cc4ccc[nH]4)[C@H]3C2)ccc1F ZINC001276238443 1205849117 /nfs/dbraw/zinc/84/91/17/1205849117.db2.gz JQFQLBWIYXTNLZ-OALUTQOASA-N 1 2 340.402 2.111 20 30 EEEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000925612282 1206135437 /nfs/dbraw/zinc/13/54/37/1206135437.db2.gz QQQBYHHIVKTVBL-CRAIPNDOSA-N 1 2 344.459 2.371 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nnn1CC ZINC001110989722 1206555828 /nfs/dbraw/zinc/55/58/28/1206555828.db2.gz UALQVYOIIVHCDI-JEWRLFTDSA-N 1 2 345.491 2.430 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nnn1CC ZINC001110989722 1206555829 /nfs/dbraw/zinc/55/58/29/1206555829.db2.gz UALQVYOIIVHCDI-JEWRLFTDSA-N 1 2 345.491 2.430 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Oc1cccnc1)C2 ZINC001111008311 1206621450 /nfs/dbraw/zinc/62/14/50/1206621450.db2.gz QAJFNVMYTXMAJM-XOUADPBQSA-N 1 2 335.835 2.323 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Oc1cccnc1)C2 ZINC001111008311 1206621451 /nfs/dbraw/zinc/62/14/51/1206621451.db2.gz QAJFNVMYTXMAJM-XOUADPBQSA-N 1 2 335.835 2.323 20 30 EEEDLO N#C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000932161358 1207550252 /nfs/dbraw/zinc/55/02/52/1207550252.db2.gz MOBRCMXUMDFFSL-JSGCOSHPSA-N 1 2 339.233 2.424 20 30 EEEDLO N#C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000932161358 1207550254 /nfs/dbraw/zinc/55/02/54/1207550254.db2.gz MOBRCMXUMDFFSL-JSGCOSHPSA-N 1 2 339.233 2.424 20 30 EEEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1cc(C#N)c(F)cc1F ZINC000932209239 1207561354 /nfs/dbraw/zinc/56/13/54/1207561354.db2.gz UCFNZUDDRQKWGH-NSHDSACASA-N 1 2 338.358 2.021 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCC ZINC001111072855 1207942515 /nfs/dbraw/zinc/94/25/15/1207942515.db2.gz WVCQKXGFTCWFIU-OAGGEKHMSA-N 1 2 335.492 2.227 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCC ZINC001111072855 1207942516 /nfs/dbraw/zinc/94/25/16/1207942516.db2.gz WVCQKXGFTCWFIU-OAGGEKHMSA-N 1 2 335.492 2.227 20 30 EEEDLO C=CCOCCCC(=O)N1C[C@@H](C)[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001111238576 1208409284 /nfs/dbraw/zinc/40/92/84/1208409284.db2.gz CCVOAPWISLYOML-ZBFHGGJFSA-N 1 2 332.448 2.274 20 30 EEEDLO Cc1nnc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)s1 ZINC001111740527 1208424676 /nfs/dbraw/zinc/42/46/76/1208424676.db2.gz BFYSDVUPXRTZGL-QITLCBANSA-N 1 2 344.484 2.292 20 30 EEEDLO Cc1nnc([C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)s1 ZINC001111740527 1208424678 /nfs/dbraw/zinc/42/46/78/1208424678.db2.gz BFYSDVUPXRTZGL-QITLCBANSA-N 1 2 344.484 2.292 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(Cl)n1C)C2 ZINC001095761061 1208492467 /nfs/dbraw/zinc/49/24/67/1208492467.db2.gz LFDFPVVWYSBQJT-VWYCJHECSA-N 1 2 329.231 2.161 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(Cl)n1C)C2 ZINC001095761061 1208492468 /nfs/dbraw/zinc/49/24/68/1208492468.db2.gz LFDFPVVWYSBQJT-VWYCJHECSA-N 1 2 329.231 2.161 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C)no3)[C@@H](C)C2)cc1 ZINC000947611685 1208643853 /nfs/dbraw/zinc/64/38/53/1208643853.db2.gz OVKVTSHMQFTLFA-SUMWQHHRSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)no3)[C@@H](C)C2)cc1 ZINC000947611685 1208643856 /nfs/dbraw/zinc/64/38/56/1208643856.db2.gz OVKVTSHMQFTLFA-SUMWQHHRSA-N 1 2 338.411 2.142 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](CC)C1 ZINC000948497142 1209175938 /nfs/dbraw/zinc/17/59/38/1209175938.db2.gz CRPXCMSGCOZIOT-GDBMZVCRSA-N 1 2 346.475 2.298 20 30 EEEDLO C#CCOCCC(=O)NC[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111276680 1209202439 /nfs/dbraw/zinc/20/24/39/1209202439.db2.gz GQYWHIXYCOTMDQ-QAQDUYKDSA-N 1 2 344.459 2.159 20 30 EEEDLO Cc1nc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)cs1 ZINC001038634075 1225132665 /nfs/dbraw/zinc/13/26/65/1225132665.db2.gz DBUCJSMHEALNIR-OAHLLOKOSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1nc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)cs1 ZINC001038634075 1225132669 /nfs/dbraw/zinc/13/26/69/1225132669.db2.gz DBUCJSMHEALNIR-OAHLLOKOSA-N 1 2 326.425 2.328 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccnn1C(C)C ZINC000948920196 1209453256 /nfs/dbraw/zinc/45/32/56/1209453256.db2.gz XYQTWZHFLJYLQZ-IBGZPJMESA-N 1 2 336.439 2.426 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccnn1C(C)C ZINC000948920196 1209453258 /nfs/dbraw/zinc/45/32/58/1209453258.db2.gz XYQTWZHFLJYLQZ-IBGZPJMESA-N 1 2 336.439 2.426 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc2nccn2c1 ZINC000948978426 1209485353 /nfs/dbraw/zinc/48/53/53/1209485353.db2.gz MDNUAKFGTQBULQ-IBGZPJMESA-N 1 2 344.418 2.297 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc2nccn2c1 ZINC000948978426 1209485354 /nfs/dbraw/zinc/48/53/54/1209485354.db2.gz MDNUAKFGTQBULQ-IBGZPJMESA-N 1 2 344.418 2.297 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1Cc2cccnc2C1 ZINC000948981625 1209487264 /nfs/dbraw/zinc/48/72/64/1209487264.db2.gz CTURNTILKUZYFI-WIYYLYMNSA-N 1 2 345.446 2.145 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1Cc2cccnc2C1 ZINC000948981625 1209487268 /nfs/dbraw/zinc/48/72/68/1209487268.db2.gz CTURNTILKUZYFI-WIYYLYMNSA-N 1 2 345.446 2.145 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3sc(C)cc3C)CC2)C1 ZINC000949378909 1209657567 /nfs/dbraw/zinc/65/75/67/1209657567.db2.gz DWUMPLLSNOYKTF-UHFFFAOYSA-N 1 2 332.469 2.305 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3sc(C)cc3C)CC2)C1 ZINC000949378909 1209657569 /nfs/dbraw/zinc/65/75/69/1209657569.db2.gz DWUMPLLSNOYKTF-UHFFFAOYSA-N 1 2 332.469 2.305 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(C(C)C)nc3)CC2)C1 ZINC000949385817 1209660741 /nfs/dbraw/zinc/66/07/41/1209660741.db2.gz CKKRAHXGOBNKIA-UHFFFAOYSA-N 1 2 341.455 2.145 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(C(C)C)nc3)CC2)C1 ZINC000949385817 1209660742 /nfs/dbraw/zinc/66/07/42/1209660742.db2.gz CKKRAHXGOBNKIA-UHFFFAOYSA-N 1 2 341.455 2.145 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[NH+](CCOc3cccc(C)c3)CC2)c1 ZINC000950411091 1210196287 /nfs/dbraw/zinc/19/62/87/1210196287.db2.gz HOMMCNSBSXSYBQ-UHFFFAOYSA-N 1 2 349.434 2.208 20 30 EEEDLO Cc1cc(CCC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)no1 ZINC000950437416 1210212025 /nfs/dbraw/zinc/21/20/25/1210212025.db2.gz XXBWSKSXPKBBCI-UHFFFAOYSA-N 1 2 338.411 2.132 20 30 EEEDLO CC(=O)Nc1cccc(NC(=O)CO[NH+]=C(N)Cc2ccccc2)c1 ZINC000079862417 1210734448 /nfs/dbraw/zinc/73/44/48/1210734448.db2.gz REAPQKSSRGNCRM-UHFFFAOYSA-N 1 2 340.383 2.115 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC000951914752 1211102131 /nfs/dbraw/zinc/10/21/31/1211102131.db2.gz ZMGZXJJNNICXJK-INIZCTEOSA-N 1 2 344.459 2.114 20 30 EEEDLO C=CCn1cc(C(=O)N(CC)C2C[NH+]([C@@H](C)c3ccccc3)C2)nn1 ZINC000952425058 1211415358 /nfs/dbraw/zinc/41/53/58/1211415358.db2.gz DRKLFDKXYPJPGC-HNNXBMFYSA-N 1 2 339.443 2.372 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC000952554104 1211482393 /nfs/dbraw/zinc/48/23/93/1211482393.db2.gz XNIOASKOUZJIBW-CVEARBPZSA-N 1 2 344.459 2.146 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC000952554104 1211482397 /nfs/dbraw/zinc/48/23/97/1211482397.db2.gz XNIOASKOUZJIBW-CVEARBPZSA-N 1 2 344.459 2.146 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)co2)C1 ZINC001015575262 1225416156 /nfs/dbraw/zinc/41/61/56/1225416156.db2.gz GPSJJZHHOLOBQZ-MRXNPFEDSA-N 1 2 339.395 2.473 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)c2cc(C)co2)C1 ZINC001015575262 1225416161 /nfs/dbraw/zinc/41/61/61/1225416161.db2.gz GPSJJZHHOLOBQZ-MRXNPFEDSA-N 1 2 339.395 2.473 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)C3CCC3)C2)CC1 ZINC000956606455 1214127854 /nfs/dbraw/zinc/12/78/54/1214127854.db2.gz SAVYFCRKDJRCNT-FXAWDEMLSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nnc(C4CC4)o3)C[C@H]21 ZINC001114668673 1214666457 /nfs/dbraw/zinc/66/64/57/1214666457.db2.gz IGWLIBZSLTWVSQ-NHAGDIPZSA-N 1 2 330.432 2.096 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C4CC4)o3)C[C@H]21 ZINC001114668673 1214666460 /nfs/dbraw/zinc/66/64/60/1214666460.db2.gz IGWLIBZSLTWVSQ-NHAGDIPZSA-N 1 2 330.432 2.096 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)sc3C)C2)c1 ZINC001015679209 1225541814 /nfs/dbraw/zinc/54/18/14/1225541814.db2.gz 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C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C(C)C)o3)C[C@H]21 ZINC001114725741 1215116140 /nfs/dbraw/zinc/11/61/40/1215116140.db2.gz ALCYZOQIZYBPAE-WVZRYYJFSA-N 1 2 332.448 2.342 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H](CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001114742879 1215168555 /nfs/dbraw/zinc/16/85/55/1215168555.db2.gz VDCLBTRBRKZXRS-SHTZXODSSA-N 1 2 344.459 2.173 20 30 EEEDLO C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(C#N)cn2)C1)n1cc[nH+]c1 ZINC001114820323 1215521285 /nfs/dbraw/zinc/52/12/85/1215521285.db2.gz LMFSWNXIXULYHW-FVQBIDKESA-N 1 2 338.415 2.108 20 30 EEEDLO CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(C)n1 ZINC001015772389 1225650796 /nfs/dbraw/zinc/65/07/96/1225650796.db2.gz JPJPLEMJCZWPSR-QGZVFWFLSA-N 1 2 337.427 2.087 20 30 EEEDLO CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(C)n1 ZINC001015772389 1225650798 /nfs/dbraw/zinc/65/07/98/1225650798.db2.gz JPJPLEMJCZWPSR-QGZVFWFLSA-N 1 2 337.427 2.087 20 30 EEEDLO CCCCc1noc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H](C)C#N)n1 ZINC000959925993 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ZINC001008230563 1222697266 /nfs/dbraw/zinc/69/72/66/1222697266.db2.gz PNQDGLXZTKPBRU-ZDUSSCGKSA-N 1 2 343.456 2.056 20 30 EEEDLO Cc1cnn(C)c1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001008230563 1222697267 /nfs/dbraw/zinc/69/72/67/1222697267.db2.gz PNQDGLXZTKPBRU-ZDUSSCGKSA-N 1 2 343.456 2.056 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001016161358 1226153125 /nfs/dbraw/zinc/15/31/25/1226153125.db2.gz TZOYJFIOOBAUFW-INIZCTEOSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001016161358 1226153131 /nfs/dbraw/zinc/15/31/31/1226153131.db2.gz TZOYJFIOOBAUFW-INIZCTEOSA-N 1 2 345.406 2.439 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001008576465 1222939128 /nfs/dbraw/zinc/93/91/28/1222939128.db2.gz PDPGQVCBOGWRNG-NEWSRXKRSA-N 1 2 326.440 2.044 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001008576465 1222939131 /nfs/dbraw/zinc/93/91/31/1222939131.db2.gz 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C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)c2c(C)nn(C)c2C)C1 ZINC001009737534 1223350183 /nfs/dbraw/zinc/35/01/83/1223350183.db2.gz TWRIWLPGQIGLTI-IUODEOHRSA-N 1 2 338.883 2.474 20 30 EEEDLO Cc1ocnc1C(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001010348924 1223674682 /nfs/dbraw/zinc/67/46/82/1223674682.db2.gz YXCLJZMPRMXHLR-INIZCTEOSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1ocnc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001010348924 1223674683 /nfs/dbraw/zinc/67/46/83/1223674683.db2.gz YXCLJZMPRMXHLR-INIZCTEOSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1ccncc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001010426912 1223715338 /nfs/dbraw/zinc/71/53/38/1223715338.db2.gz HANXTQXOBAMLGY-CYBMUJFWSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1ccncc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001010426912 1223715341 /nfs/dbraw/zinc/71/53/41/1223715341.db2.gz HANXTQXOBAMLGY-CYBMUJFWSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)o1 ZINC001010426665 1223715351 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/nfs/dbraw/zinc/33/05/63/1242330563.db2.gz XPOXIQJFGFRAMS-AWEZNQCLSA-N 1 2 334.851 2.015 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1(C)C ZINC001073341253 1242361950 /nfs/dbraw/zinc/36/19/50/1242361950.db2.gz DNGSYIDJVRAKDH-HNNXBMFYSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1(C)C ZINC001073341253 1242361961 /nfs/dbraw/zinc/36/19/61/1242361961.db2.gz DNGSYIDJVRAKDH-HNNXBMFYSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001067918049 1249970415 /nfs/dbraw/zinc/97/04/15/1249970415.db2.gz PTGZDJMBNXZOKG-LJQANCHMSA-N 1 2 348.491 2.262 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001057207620 1242444450 /nfs/dbraw/zinc/44/44/50/1242444450.db2.gz IZPVTMZIJOXQKF-UHFFFAOYSA-N 1 2 342.447 2.004 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001073439925 1242480327 /nfs/dbraw/zinc/48/03/27/1242480327.db2.gz AOWNGFUAZBRNNX-INIZCTEOSA-N 1 2 346.475 2.373 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001073518495 1242550314 /nfs/dbraw/zinc/55/03/14/1242550314.db2.gz QBZOJIRKWVHKFS-OAHLLOKOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001073995755 1242888693 /nfs/dbraw/zinc/88/86/93/1242888693.db2.gz BVAHBEBPQRVMDN-CABCVRRESA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001074038914 1242919137 /nfs/dbraw/zinc/91/91/37/1242919137.db2.gz NZGGFDSQYKXCNV-IAGOWNOFSA-N 1 2 346.475 2.373 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]2C[N@H+](Cc3nc4c(o3)CCCC4)C[C@H]21 ZINC001049997195 1242997450 /nfs/dbraw/zinc/99/74/50/1242997450.db2.gz MNQUZBRRBCYSPH-OFQRWUPVSA-N 1 2 342.443 2.136 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](Cc3nc4c(o3)CCCC4)C[C@H]21 ZINC001049997195 1242997456 /nfs/dbraw/zinc/99/74/56/1242997456.db2.gz MNQUZBRRBCYSPH-OFQRWUPVSA-N 1 2 342.443 2.136 20 30 EEEDLO N#Cc1ccc(N[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C2CC2)cn1 ZINC001096755574 1243237698 /nfs/dbraw/zinc/23/76/98/1243237698.db2.gz HIORYGSERTVMEY-INIZCTEOSA-N 1 2 346.394 2.221 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@H](Nc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001096778176 1243245756 /nfs/dbraw/zinc/24/57/56/1243245756.db2.gz GQKIJUWSKUFHSO-HIFRSBDPSA-N 1 2 346.479 2.155 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](Nc1[nH+]cnc2c1cnn2C)C1CC1 ZINC001096778207 1243246581 /nfs/dbraw/zinc/24/65/81/1243246581.db2.gz HQEOSRHWVOEUFF-SWLSCSKDSA-N 1 2 342.447 2.272 20 30 EEEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccon2)C3)ccc1F ZINC001096843724 1243358627 /nfs/dbraw/zinc/35/86/27/1243358627.db2.gz TWCRVWGSECWLAS-XYPHTWIQSA-N 1 2 340.358 2.221 20 30 EEEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccon2)C3)ccc1F ZINC001096843724 1243358635 /nfs/dbraw/zinc/35/86/35/1243358635.db2.gz TWCRVWGSECWLAS-XYPHTWIQSA-N 1 2 340.358 2.221 20 30 EEEDLO N#Cc1ccc(N[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C2CC2)nc1 ZINC001096851417 1243369614 /nfs/dbraw/zinc/36/96/14/1243369614.db2.gz ILKWYZIWIIIQIG-QGZVFWFLSA-N 1 2 346.394 2.450 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001096858962 1243379607 /nfs/dbraw/zinc/37/96/07/1243379607.db2.gz CBLGNYMKKUANNK-ZACQAIPSSA-N 1 2 336.395 2.390 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001096858962 1243379617 /nfs/dbraw/zinc/37/96/17/1243379617.db2.gz CBLGNYMKKUANNK-ZACQAIPSSA-N 1 2 336.395 2.390 20 30 EEEDLO Cc1cc(N[C@H]2CCN(C(=O)CSCC#N)C2)nc(C(C)C)[nH+]1 ZINC001096918188 1243462205 /nfs/dbraw/zinc/46/22/05/1243462205.db2.gz NIYYALWZRASYDQ-ZDUSSCGKSA-N 1 2 333.461 2.178 20 30 EEEDLO C=CCCC1(C(=O)N2CC[C@H](Nc3[nH+]cnc4c3cnn4C)C2)CC1 ZINC001096977184 1243515092 /nfs/dbraw/zinc/51/50/92/1243515092.db2.gz GPMMHRHAAAAPTM-ZDUSSCGKSA-N 1 2 340.431 2.123 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001050815986 1244431517 /nfs/dbraw/zinc/43/15/17/1244431517.db2.gz JWUMLSAOFASZIL-WBVHZDCISA-N 1 2 344.459 2.005 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(C)noc1CCC ZINC001050914658 1244613867 /nfs/dbraw/zinc/61/38/67/1244613867.db2.gz OELHXYUZJQGNAA-HNNXBMFYSA-N 1 2 335.448 2.332 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(C)noc1CCC ZINC001050914658 1244613878 /nfs/dbraw/zinc/61/38/78/1244613878.db2.gz OELHXYUZJQGNAA-HNNXBMFYSA-N 1 2 335.448 2.332 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cncs2)c1 ZINC001097812922 1244635748 /nfs/dbraw/zinc/63/57/48/1244635748.db2.gz HALMNSXTOTVXPT-OIISXLGYSA-N 1 2 338.436 2.055 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cncs2)c1 ZINC001097812922 1244635760 /nfs/dbraw/zinc/63/57/60/1244635760.db2.gz HALMNSXTOTVXPT-OIISXLGYSA-N 1 2 338.436 2.055 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)c(Cl)n1C ZINC001050945201 1244687615 /nfs/dbraw/zinc/68/76/15/1244687615.db2.gz IWUHZFTVVMDTGZ-NSHDSACASA-N 1 2 346.258 2.339 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)c(Cl)n1C ZINC001050945201 1244687624 /nfs/dbraw/zinc/68/76/24/1244687624.db2.gz IWUHZFTVVMDTGZ-NSHDSACASA-N 1 2 346.258 2.339 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC001050964082 1244744117 /nfs/dbraw/zinc/74/41/17/1244744117.db2.gz STXQRWAGKSDZFG-HNNXBMFYSA-N 1 2 329.400 2.143 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC001050964082 1244744120 /nfs/dbraw/zinc/74/41/20/1244744120.db2.gz STXQRWAGKSDZFG-HNNXBMFYSA-N 1 2 329.400 2.143 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H](C)[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001052689439 1244758463 /nfs/dbraw/zinc/75/84/63/1244758463.db2.gz CYQQQPFJWQMDHU-JKSUJKDBSA-N 1 2 346.475 2.086 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3ncnn3CCF)CC2)C1 ZINC001052691221 1244762504 /nfs/dbraw/zinc/76/25/04/1244762504.db2.gz SOQFOOCDNAIFGT-OAHLLOKOSA-N 1 2 349.454 2.075 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3ncnn3CCF)CC2)C1 ZINC001052691221 1244762513 /nfs/dbraw/zinc/76/25/13/1244762513.db2.gz SOQFOOCDNAIFGT-OAHLLOKOSA-N 1 2 349.454 2.075 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnoc1-c1ccco1 ZINC001050986629 1244788611 /nfs/dbraw/zinc/78/86/11/1244788611.db2.gz MYXZWVRLKRYMIB-AWEZNQCLSA-N 1 2 345.399 2.331 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnoc1-c1ccco1 ZINC001050986629 1244788620 /nfs/dbraw/zinc/78/86/20/1244788620.db2.gz MYXZWVRLKRYMIB-AWEZNQCLSA-N 1 2 345.399 2.331 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(F)c(Cl)c1 ZINC001051091349 1244968156 /nfs/dbraw/zinc/96/81/56/1244968156.db2.gz NWQSRUTVRPUJHV-CYBMUJFWSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(F)c(Cl)c1 ZINC001051091349 1244968165 /nfs/dbraw/zinc/96/81/65/1244968165.db2.gz NWQSRUTVRPUJHV-CYBMUJFWSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(F)ccc1Cl ZINC001051135868 1245027810 /nfs/dbraw/zinc/02/78/10/1245027810.db2.gz SFFQIKMCFAQZLS-CYBMUJFWSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(F)ccc1Cl ZINC001051135868 1245027818 /nfs/dbraw/zinc/02/78/18/1245027818.db2.gz SFFQIKMCFAQZLS-CYBMUJFWSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CN(c2cc[nH+]c(C)n2)CC[C@@H]1C ZINC001067997533 1250162776 /nfs/dbraw/zinc/16/27/76/1250162776.db2.gz NYVFVRMMQXBTIX-HOCLYGCPSA-N 1 2 339.443 2.417 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001051200473 1245380022 /nfs/dbraw/zinc/38/00/22/1245380022.db2.gz RJYQLUFQOLGHLL-SFHVURJKSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001051200473 1245380025 /nfs/dbraw/zinc/38/00/25/1245380025.db2.gz RJYQLUFQOLGHLL-SFHVURJKSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCOc1cccnc1C(=O)NC[C@H]1COCC[N@H+]1CCC(=C)C ZINC001051202437 1245382944 /nfs/dbraw/zinc/38/29/44/1245382944.db2.gz IYUZGIYQSOLFSL-INIZCTEOSA-N 1 2 345.443 2.043 20 30 EEEDLO C=CCOc1cccnc1C(=O)NC[C@H]1COCC[N@@H+]1CCC(=C)C ZINC001051202437 1245382950 /nfs/dbraw/zinc/38/29/50/1245382950.db2.gz IYUZGIYQSOLFSL-INIZCTEOSA-N 1 2 345.443 2.043 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c(F)cccc1Cl ZINC001051218885 1245404843 /nfs/dbraw/zinc/40/48/43/1245404843.db2.gz KMQMBHHSYOTYRL-GFCCVEGCSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(F)cccc1Cl ZINC001051218885 1245404846 /nfs/dbraw/zinc/40/48/46/1245404846.db2.gz KMQMBHHSYOTYRL-GFCCVEGCSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(OC(C)C)cc1 ZINC001051235496 1245425056 /nfs/dbraw/zinc/42/50/56/1245425056.db2.gz PZXBFLPYRDFWMH-QGZVFWFLSA-N 1 2 332.444 2.481 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(OC(C)C)cc1 ZINC001051235496 1245425059 /nfs/dbraw/zinc/42/50/59/1245425059.db2.gz PZXBFLPYRDFWMH-QGZVFWFLSA-N 1 2 332.444 2.481 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)[C@]34C[C@H]3COC4)cccc2C1 ZINC001051291056 1245487005 /nfs/dbraw/zinc/48/70/05/1245487005.db2.gz IXRFHIPVWKGJID-LPHOPBHVSA-N 1 2 346.858 2.450 20 30 EEEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)[C@]34C[C@H]3COC4)cccc2C1 ZINC001051291056 1245487009 /nfs/dbraw/zinc/48/70/09/1245487009.db2.gz IXRFHIPVWKGJID-LPHOPBHVSA-N 1 2 346.858 2.450 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(CC)o3)C[C@@]2(C)C1 ZINC001101253760 1245576163 /nfs/dbraw/zinc/57/61/63/1245576163.db2.gz VDHFTHGYZQHBAC-KDOFPFPSSA-N 1 2 332.448 2.269 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(CC)o3)C[C@@]2(C)C1 ZINC001101253760 1245576170 /nfs/dbraw/zinc/57/61/70/1245576170.db2.gz VDHFTHGYZQHBAC-KDOFPFPSSA-N 1 2 332.448 2.269 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCCC[C@H]2CN(C)c2cc[nH+]c(C)n2)c1 ZINC001051346038 1245585071 /nfs/dbraw/zinc/58/50/71/1245585071.db2.gz OGFJTUNICZHABZ-SFHVURJKSA-N 1 2 349.438 2.292 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001051348445 1245590114 /nfs/dbraw/zinc/59/01/14/1245590114.db2.gz MSWXOSXSNQOYTC-BBWFWOEESA-N 1 2 344.459 2.193 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001051418960 1245701601 /nfs/dbraw/zinc/70/16/01/1245701601.db2.gz SRJLITQRGRLZDT-ZBFHGGJFSA-N 1 2 344.459 2.074 20 30 EEEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nc(C)no4)C[C@@]3(C)C2)CC1 ZINC001101353683 1245704344 /nfs/dbraw/zinc/70/43/44/1245704344.db2.gz DYJXDASMONNWDQ-QAPCUYQASA-N 1 2 344.459 2.405 20 30 EEEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nc(C)no4)C[C@@]3(C)C2)CC1 ZINC001101353683 1245704351 /nfs/dbraw/zinc/70/43/51/1245704351.db2.gz DYJXDASMONNWDQ-QAPCUYQASA-N 1 2 344.459 2.405 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053133623 1245962717 /nfs/dbraw/zinc/96/27/17/1245962717.db2.gz WDVICXBMIKFRCC-HIFRSBDPSA-N 1 2 346.475 2.074 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)C2)CC1 ZINC001052031464 1246396604 /nfs/dbraw/zinc/39/66/04/1246396604.db2.gz OTYGOBOQDAWRTO-GBESFXJTSA-N 1 2 345.531 2.301 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)cc(C)nc3C)C2)CC1 ZINC001052054780 1246425343 /nfs/dbraw/zinc/42/53/43/1246425343.db2.gz CSIFUPZCQKSKOW-SFHVURJKSA-N 1 2 342.487 2.025 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@]3(C)C[C@H]4C[C@H]4C3)C2)CC1 ZINC001052055624 1246426913 /nfs/dbraw/zinc/42/69/13/1246426913.db2.gz ARTRFBFHLGVZQB-DMUMMCEESA-N 1 2 331.504 2.217 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)c3cccs3)C2)CC1 ZINC001052081778 1246459540 /nfs/dbraw/zinc/45/95/40/1246459540.db2.gz OVKMFJJRGHMIDQ-IAGOWNOFSA-N 1 2 345.512 2.093 20 30 EEEDLO N#Cc1ccc(NC2CC(CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)nc1 ZINC001052137050 1246527944 /nfs/dbraw/zinc/52/79/44/1246527944.db2.gz VAIRKTMDSUYEAR-UHFFFAOYSA-N 1 2 346.394 2.450 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3nc(C)oc3c1)O2 ZINC001053609802 1246528568 /nfs/dbraw/zinc/52/85/68/1246528568.db2.gz FFKIQXFPYDXYLH-HNNXBMFYSA-N 1 2 341.411 2.285 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccnc1C1CC1)O2 ZINC001053623959 1246549418 /nfs/dbraw/zinc/54/94/18/1246549418.db2.gz FQKVOWIRTSUMND-INIZCTEOSA-N 1 2 341.455 2.498 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc(CC3CC3)s1)O2 ZINC001053628941 1246557398 /nfs/dbraw/zinc/55/73/98/1246557398.db2.gz BJNMKKVPUDATKY-CQSZACIVSA-N 1 2 347.484 2.245 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nccc3ccccc31)O2 ZINC001053654561 1246597741 /nfs/dbraw/zinc/59/77/41/1246597741.db2.gz PWQKFCGAKSIWCI-INIZCTEOSA-N 1 2 337.423 2.384 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3c(c1)C[C@H](C)O3)O2 ZINC001053678682 1246631583 /nfs/dbraw/zinc/63/15/83/1246631583.db2.gz JBLLBWDWGLGNEQ-YOEHRIQHSA-N 1 2 342.439 2.159 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1coc(CC3CC3)n1)O2 ZINC001053685669 1246645457 /nfs/dbraw/zinc/64/54/57/1246645457.db2.gz WRFGUWGXPMPTLL-HNNXBMFYSA-N 1 2 345.443 2.166 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C3CC3)cn1)O2 ZINC001053695055 1246667771 /nfs/dbraw/zinc/66/77/71/1246667771.db2.gz WCKYUYJPIDPSGL-QGZVFWFLSA-N 1 2 341.455 2.498 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc3ccccc3[nH]1)O2 ZINC001053695831 1246668648 /nfs/dbraw/zinc/66/86/48/1246668648.db2.gz SJZHOUGZMIXOSY-OAHLLOKOSA-N 1 2 325.412 2.317 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccoc1C(F)(F)F)CO2 ZINC001053818731 1246837629 /nfs/dbraw/zinc/83/76/29/1246837629.db2.gz VHXPWSBBORBHPV-LLVKDONJSA-N 1 2 344.333 2.448 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1cccc(C(C)C)c1)CO2 ZINC001053858103 1246920739 /nfs/dbraw/zinc/92/07/39/1246920739.db2.gz YEUZGKJOOOXEKL-LJQANCHMSA-N 1 2 340.467 2.335 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(Cl)c1F)CO2 ZINC001053910501 1247001176 /nfs/dbraw/zinc/00/11/76/1247001176.db2.gz ODNPRHCZZOZSHT-LBPRGKRZSA-N 1 2 336.794 2.076 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(Cl)c(F)c1)CO2 ZINC001053936127 1247032964 /nfs/dbraw/zinc/03/29/64/1247032964.db2.gz DMXDYWSDCNVKSJ-CYBMUJFWSA-N 1 2 336.794 2.076 20 30 EEEDLO Cc1nc(N2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)c(C)c(C)[nH+]1 ZINC001052331733 1247033250 /nfs/dbraw/zinc/03/32/50/1247033250.db2.gz HIMXJIZKALXPRB-FXAWDEMLSA-N 1 2 338.455 2.100 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C(CC)CC)no1)CO2 ZINC001053948628 1247054908 /nfs/dbraw/zinc/05/49/08/1247054908.db2.gz PJTAMDXKEZAQOO-OAHLLOKOSA-N 1 2 345.443 2.175 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C)s1)CO2 ZINC001053952392 1247059082 /nfs/dbraw/zinc/05/90/82/1247059082.db2.gz SDDRWAPCIZKQOF-BZUAXINKSA-N 1 2 344.480 2.143 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3c(c1)CCC=C3)CO2 ZINC001053983227 1247107015 /nfs/dbraw/zinc/10/70/15/1247107015.db2.gz UKJDIDTZAAAURX-IBGZPJMESA-N 1 2 336.435 2.242 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C)cc1OC)CO2 ZINC001053987852 1247112144 /nfs/dbraw/zinc/11/21/44/1247112144.db2.gz UXJHWYZJWNVLKA-HNNXBMFYSA-N 1 2 330.428 2.153 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(OC(C)C)cc1)CO2 ZINC001053999868 1247131215 /nfs/dbraw/zinc/13/12/15/1247131215.db2.gz OAYZXSOIOACHSH-KRWDZBQOSA-N 1 2 342.439 2.070 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001097919793 1247145015 /nfs/dbraw/zinc/14/50/15/1247145015.db2.gz OCFLZFVHQRKNRF-OLZOCXBDSA-N 1 2 332.448 2.172 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cncc(OC)c1C ZINC001054044767 1247217571 /nfs/dbraw/zinc/21/75/71/1247217571.db2.gz CDNWISUBSZQZBP-GOSISDBHSA-N 1 2 349.434 2.189 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cncc(OC)c1C ZINC001054044767 1247217581 /nfs/dbraw/zinc/21/75/81/1247217581.db2.gz CDNWISUBSZQZBP-GOSISDBHSA-N 1 2 349.434 2.189 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnn2ccccc12 ZINC001054056857 1247256872 /nfs/dbraw/zinc/25/68/72/1247256872.db2.gz UTTFYYTXJCRMDG-GOSISDBHSA-N 1 2 344.418 2.124 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnn2ccccc12 ZINC001054056857 1247256880 /nfs/dbraw/zinc/25/68/80/1247256880.db2.gz UTTFYYTXJCRMDG-GOSISDBHSA-N 1 2 344.418 2.124 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001054057240 1247258775 /nfs/dbraw/zinc/25/87/75/1247258775.db2.gz GIYOZPIUVVIYEM-SFHVURJKSA-N 1 2 349.434 2.417 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001054057240 1247258780 /nfs/dbraw/zinc/25/87/80/1247258780.db2.gz GIYOZPIUVVIYEM-SFHVURJKSA-N 1 2 349.434 2.417 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnn(CC2CC2)c1 ZINC001054058728 1247262455 /nfs/dbraw/zinc/26/24/55/1247262455.db2.gz VGDPEFUAZOSJSM-HXUWFJFHSA-N 1 2 348.450 2.083 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnn(CC2CC2)c1 ZINC001054058728 1247262466 /nfs/dbraw/zinc/26/24/66/1247262466.db2.gz VGDPEFUAZOSJSM-HXUWFJFHSA-N 1 2 348.450 2.083 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001052473570 1247369350 /nfs/dbraw/zinc/36/93/50/1247369350.db2.gz ZVGOVWMVGUHRHJ-CABCVRRESA-N 1 2 346.475 2.155 20 30 EEEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc([C@@H]3CCCO3)s1)C2 ZINC001097997790 1250344679 /nfs/dbraw/zinc/34/46/79/1250344679.db2.gz SBBIPFMXSCFKQR-KBXIAJHMSA-N 1 2 345.468 2.353 20 30 EEEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc([C@@H]3CCCO3)s1)C2 ZINC001097997790 1250344688 /nfs/dbraw/zinc/34/46/88/1250344688.db2.gz SBBIPFMXSCFKQR-KBXIAJHMSA-N 1 2 345.468 2.353 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCO[C@H]3C(C)C)cc2C1 ZINC001054267885 1247943636 /nfs/dbraw/zinc/94/36/36/1247943636.db2.gz DKZOVVHALTZCTQ-MOPGFXCFSA-N 1 2 326.440 2.313 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCO[C@H]3C(C)C)cc2C1 ZINC001054267885 1247943642 /nfs/dbraw/zinc/94/36/42/1247943642.db2.gz DKZOVVHALTZCTQ-MOPGFXCFSA-N 1 2 326.440 2.313 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cnc4onc(C)c4c3)cc2C1 ZINC001054276574 1247984333 /nfs/dbraw/zinc/98/43/33/1247984333.db2.gz JTEOWPCQADEIKP-UHFFFAOYSA-N 1 2 346.390 2.410 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cnc4onc(C)c4c3)cc2C1 ZINC001054276574 1247984337 /nfs/dbraw/zinc/98/43/37/1247984337.db2.gz JTEOWPCQADEIKP-UHFFFAOYSA-N 1 2 346.390 2.410 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001068116783 1250358128 /nfs/dbraw/zinc/35/81/28/1250358128.db2.gz 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/nfs/dbraw/zinc/39/07/36/1315390736.db2.gz HXDBXZHGIUEGLT-ZDUSSCGKSA-N 1 2 331.363 2.422 20 30 EEEDLO CSc1nc(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)ccc1C#N ZINC001141945480 1315396209 /nfs/dbraw/zinc/39/62/09/1315396209.db2.gz AGJVXJSFGFPOJR-AWEZNQCLSA-N 1 2 327.413 2.118 20 30 EEEDLO CSc1nc(C[N@H+]2CC[C@H](Oc3ncccn3)C2)ccc1C#N ZINC001141945480 1315396214 /nfs/dbraw/zinc/39/62/14/1315396214.db2.gz AGJVXJSFGFPOJR-AWEZNQCLSA-N 1 2 327.413 2.118 20 30 EEEDLO CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)C#Cc1ccccc1)C2 ZINC001142857802 1315775318 /nfs/dbraw/zinc/77/53/18/1315775318.db2.gz NQAPZLRATAXALE-UHFFFAOYSA-N 1 2 336.439 2.186 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[N@H+](Cc2cc(C)n(C)n2)CCCO1 ZINC001150373168 1316247328 /nfs/dbraw/zinc/24/73/28/1316247328.db2.gz XIXDQKMLJQBNAL-KRWDZBQOSA-N 1 2 348.491 2.038 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[N@@H+](Cc2cc(C)n(C)n2)CCCO1 ZINC001150373168 1316247333 /nfs/dbraw/zinc/24/73/33/1316247333.db2.gz XIXDQKMLJQBNAL-KRWDZBQOSA-N 1 2 348.491 2.038 20 30 EEEDLO CC[N@H+](Cc1nc(C)oc1C)[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 ZINC001152793911 1316724779 /nfs/dbraw/zinc/72/47/79/1316724779.db2.gz BMODVIMHHZPRJJ-LLVKDONJSA-N 1 2 329.404 2.132 20 30 EEEDLO CC[N@@H+](Cc1nc(C)oc1C)[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 ZINC001152793911 1316724783 /nfs/dbraw/zinc/72/47/83/1316724783.db2.gz BMODVIMHHZPRJJ-LLVKDONJSA-N 1 2 329.404 2.132 20 30 EEEDLO CCc1cnc(C[N@@H+](CC)[C@H](C)CNC(=O)c2c[nH]c(C#N)c2)o1 ZINC001152855193 1316734349 /nfs/dbraw/zinc/73/43/49/1316734349.db2.gz XMRKGZVSMGMICT-GFCCVEGCSA-N 1 2 329.404 2.077 20 30 EEEDLO CCc1cnc(C[N@H+](CC)[C@H](C)CNC(=O)c2c[nH]c(C#N)c2)o1 ZINC001152855193 1316734352 /nfs/dbraw/zinc/73/43/52/1316734352.db2.gz XMRKGZVSMGMICT-GFCCVEGCSA-N 1 2 329.404 2.077 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(C)sc1C ZINC001153018549 1316760587 /nfs/dbraw/zinc/76/05/87/1316760587.db2.gz HUTZUEHSXKRXRO-SJKOYZFVSA-N 1 2 339.505 2.414 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(C)sc1C ZINC001153018549 1316760589 /nfs/dbraw/zinc/76/05/89/1316760589.db2.gz HUTZUEHSXKRXRO-SJKOYZFVSA-N 1 2 339.505 2.414 20 30 EEEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@H](Oc2ncc(Br)cn2)C1 ZINC001255172432 1318310702 /nfs/dbraw/zinc/31/07/02/1318310702.db2.gz AGRJNVVFPKAVAV-RYUDHWBXSA-N 1 2 325.210 2.384 20 30 EEEDLO CC[C@@H](CC#N)[N@H+]1CC[C@H](Oc2ncc(Br)cn2)C1 ZINC001255172432 1318310710 /nfs/dbraw/zinc/31/07/10/1318310710.db2.gz AGRJNVVFPKAVAV-RYUDHWBXSA-N 1 2 325.210 2.384 20 30 EEEDLO CCn1ccc(C[N@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)C)n1 ZINC001157939761 1318939349 /nfs/dbraw/zinc/93/93/49/1318939349.db2.gz LQQMTVCJFUYXBD-GOSISDBHSA-N 1 2 330.476 2.375 20 30 EEEDLO CCn1ccc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)C)n1 ZINC001157939761 1318939353 /nfs/dbraw/zinc/93/93/53/1318939353.db2.gz LQQMTVCJFUYXBD-GOSISDBHSA-N 1 2 330.476 2.375 20 30 EEEDLO C=CCOC(=O)N[C@H]1CCCN(c2cc(CC(=O)OCC)cc[nH+]2)C1 ZINC001158913671 1319504054 /nfs/dbraw/zinc/50/40/54/1319504054.db2.gz LMOMYLQQQHXSIV-HNNXBMFYSA-N 1 2 347.415 2.068 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)[C@H](CC)OC)CC1 ZINC001159517704 1319854846 /nfs/dbraw/zinc/85/48/46/1319854846.db2.gz LTGZFDBKOKQPRF-AWEZNQCLSA-N 1 2 345.281 2.458 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)[C@H](CC)OC)CC1 ZINC001159517704 1319854855 /nfs/dbraw/zinc/85/48/55/1319854855.db2.gz LTGZFDBKOKQPRF-AWEZNQCLSA-N 1 2 345.281 2.458 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2nnc(C)o2)CC1 ZINC001160942091 1320325498 /nfs/dbraw/zinc/32/54/98/1320325498.db2.gz VRKLFWYYPODFEE-ZIAGYGMSSA-N 1 2 332.448 2.475 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nnc(C)o2)CC1 ZINC001160942091 1320325503 /nfs/dbraw/zinc/32/55/03/1320325503.db2.gz VRKLFWYYPODFEE-ZIAGYGMSSA-N 1 2 332.448 2.475 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ncccn2)CC1 ZINC001161977790 1320704027 /nfs/dbraw/zinc/70/40/27/1320704027.db2.gz DNEUGBZVGRCIJL-HOTGVXAUSA-N 1 2 344.459 2.267 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2ncccn2)CC1 ZINC001161977790 1320704030 /nfs/dbraw/zinc/70/40/30/1320704030.db2.gz DNEUGBZVGRCIJL-HOTGVXAUSA-N 1 2 344.459 2.267 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)c1 ZINC001203762837 1321956113 /nfs/dbraw/zinc/95/61/13/1321956113.db2.gz XGCATDOUQPTVKU-FQEVSTJZSA-N 1 2 349.438 2.220 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)c1 ZINC001203762837 1321956114 /nfs/dbraw/zinc/95/61/14/1321956114.db2.gz XGCATDOUQPTVKU-FQEVSTJZSA-N 1 2 349.438 2.220 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](CO)[C@H]1C ZINC001262948179 1322402556 /nfs/dbraw/zinc/40/25/56/1322402556.db2.gz CVDUIXYXPUNLTB-OAGGEKHMSA-N 1 2 333.480 2.218 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](CO)[C@H]1C ZINC001262948179 1322402560 /nfs/dbraw/zinc/40/25/60/1322402560.db2.gz CVDUIXYXPUNLTB-OAGGEKHMSA-N 1 2 333.480 2.218 20 30 EEEDLO C#C[C@@H](C)N(C)c1nnc(Cc2[nH+]ccn2C)n1Cc1ccccc1 ZINC001263163846 1322439650 /nfs/dbraw/zinc/43/96/50/1322439650.db2.gz CAGDFVHJLRRWNO-OAHLLOKOSA-N 1 2 334.427 2.109 20 30 EEEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(CC)CCOCC ZINC001263288088 1322452960 /nfs/dbraw/zinc/45/29/60/1322452960.db2.gz FMYXWGPKDLLREN-UHFFFAOYSA-N 1 2 332.452 2.041 20 30 EEEDLO C=C(C)Cn1c([C@@H](C)SC)nnc1N(C)CC[NH+]1CCOCC1 ZINC001263327412 1322461737 /nfs/dbraw/zinc/46/17/37/1322461737.db2.gz MPYDMAYDKUJYJA-CQSZACIVSA-N 1 2 339.509 2.047 20 30 EEEDLO COCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001205730333 1323271799 /nfs/dbraw/zinc/27/17/99/1323271799.db2.gz KIHPXQSTKWPLKB-RHSMWYFYSA-N 1 2 334.847 2.165 20 30 EEEDLO COCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001205730333 1323271803 /nfs/dbraw/zinc/27/18/03/1323271803.db2.gz KIHPXQSTKWPLKB-RHSMWYFYSA-N 1 2 334.847 2.165 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCOCC(C)C)C1 ZINC001206183300 1323417332 /nfs/dbraw/zinc/41/73/32/1323417332.db2.gz JGUJTJWLLOUIOV-TZMCWYRMSA-N 1 2 347.297 2.394 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCOCC(C)C)C1 ZINC001206183300 1323417329 /nfs/dbraw/zinc/41/73/29/1323417329.db2.gz JGUJTJWLLOUIOV-TZMCWYRMSA-N 1 2 347.297 2.394 20 30 EEEDLO Cn1cc(CN2CCC3(C[NH+](Cc4ccc(C#N)cc4)C3)C2)cc1C#N ZINC001279145551 1323840626 /nfs/dbraw/zinc/84/06/26/1323840626.db2.gz OJIQBMUFIQOGQX-UHFFFAOYSA-N 1 2 345.450 2.476 20 30 EEEDLO N#Cc1cccc2c(C[N@H+]3CC[C@@H]4C[C@@]43C(=O)Nc3nnco3)c[nH]c21 ZINC001279746213 1323988993 /nfs/dbraw/zinc/98/89/93/1323988993.db2.gz QLUUPYXIMAMALI-ACJLOTCBSA-N 1 2 348.366 2.026 20 30 EEEDLO N#Cc1cccc2c(C[N@@H+]3CC[C@@H]4C[C@@]43C(=O)Nc3nnco3)c[nH]c21 ZINC001279746213 1323988997 /nfs/dbraw/zinc/98/89/97/1323988997.db2.gz QLUUPYXIMAMALI-ACJLOTCBSA-N 1 2 348.366 2.026 20 30 EEEDLO CC#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cccc(OC)n1 ZINC001316599090 1324005072 /nfs/dbraw/zinc/00/50/72/1324005072.db2.gz AJZYJXSBHIQOGL-QGZVFWFLSA-N 1 2 329.444 2.317 20 30 EEEDLO CC#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cccc(OC)n1 ZINC001316599090 1324005079 /nfs/dbraw/zinc/00/50/79/1324005079.db2.gz AJZYJXSBHIQOGL-QGZVFWFLSA-N 1 2 329.444 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C=C(Cl)C[N@H+](CCNC(=O)c1scnc1COC)C1CC1 ZINC001366752996 1374024801 /nfs/dbraw/zinc/02/48/01/1374024801.db2.gz CALKCBKJAPDWRE-UHFFFAOYSA-N 1 2 329.853 2.236 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN(CC(F)F)C1 ZINC001367534946 1374201454 /nfs/dbraw/zinc/20/14/54/1374201454.db2.gz PDGOQDDTGNVBCE-CYBMUJFWSA-N 1 2 337.842 2.106 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCN(CC(F)F)C1 ZINC001367534946 1374201460 /nfs/dbraw/zinc/20/14/60/1374201460.db2.gz PDGOQDDTGNVBCE-CYBMUJFWSA-N 1 2 337.842 2.106 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cccc(-n2cccn2)n1)C1CC1 ZINC001372861018 1376250584 /nfs/dbraw/zinc/25/05/84/1376250584.db2.gz KXYNEHMSMAOYDZ-UHFFFAOYSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cccc(-n2cccn2)n1)C1CC1 ZINC001372861018 1376250586 /nfs/dbraw/zinc/25/05/86/1376250586.db2.gz KXYNEHMSMAOYDZ-UHFFFAOYSA-N 1 2 345.834 2.214 20 30 EEEDLO CCO[C@H](C)c1nc(C[NH2+]C2(CNC(=O)[C@@H](C)C#N)CC2)cs1 ZINC001375405060 1377699797 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2.240 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]([N@@H+](C)Cc2nocc2C)C1 ZINC000980270267 774223886 /nfs/dbraw/zinc/22/38/86/774223886.db2.gz OKUDDMMIMIGLTM-GOSISDBHSA-N 1 2 337.423 2.240 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@@H](C)N(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001089691926 774384163 /nfs/dbraw/zinc/38/41/63/774384163.db2.gz BYAJOBJSRDQZCC-HUUCEWRRSA-N 1 2 344.459 2.032 20 30 EEEDLO C=C1CC(C)(C(=O)NC2CCC(NC(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000980422294 774590529 /nfs/dbraw/zinc/59/05/29/774590529.db2.gz SQWDKNZNVBKAJB-UHFFFAOYSA-N 1 2 344.459 2.161 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ccsn3)C2)cc1F ZINC001031759923 775066673 /nfs/dbraw/zinc/06/66/73/775066673.db2.gz NQUSNFHWNNYZDY-UHFFFAOYSA-N 1 2 330.388 2.016 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ccsn3)C2)c(F)c1 ZINC001031759934 775068053 /nfs/dbraw/zinc/06/80/53/775068053.db2.gz NZEAKNWMAKJLQX-UHFFFAOYSA-N 1 2 330.388 2.016 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC3(F)F)C2)c(F)c1 ZINC001031760488 775073153 /nfs/dbraw/zinc/07/31/53/775073153.db2.gz GNYCYFMSHWVOIS-AWEZNQCLSA-N 1 2 337.345 2.291 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@H]3CCCO3)CC2)c(F)c1 ZINC000980737730 775402255 /nfs/dbraw/zinc/40/22/55/775402255.db2.gz MLTYPKTUNWHHTN-QGZVFWFLSA-N 1 2 345.418 2.301 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@H]3CCCO3)CC2)c(F)c1 ZINC000980737730 775402264 /nfs/dbraw/zinc/40/22/64/775402264.db2.gz MLTYPKTUNWHHTN-QGZVFWFLSA-N 1 2 345.418 2.301 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N(C)c2ccccc2)cc1 ZINC000060455534 790370689 /nfs/dbraw/zinc/37/06/89/790370689.db2.gz JKZFSOXACWLOEW-UHFFFAOYSA-N 1 2 327.384 2.190 20 30 EEEDLO O=C([C@@H]1CCCOC1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000980827305 775718386 /nfs/dbraw/zinc/71/83/86/775718386.db2.gz CJGGHQBNHRSBLL-GOSISDBHSA-N 1 2 344.430 2.138 20 30 EEEDLO O=C([C@@H]1CCCOC1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000980827305 775718392 /nfs/dbraw/zinc/71/83/92/775718392.db2.gz CJGGHQBNHRSBLL-GOSISDBHSA-N 1 2 344.430 2.138 20 30 EEEDLO CCc1cccnc1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031797362 775837110 /nfs/dbraw/zinc/83/71/10/775837110.db2.gz ADJWLEQBRNNVNR-UHFFFAOYSA-N 1 2 333.435 2.357 20 30 EEEDLO CCc1ocnc1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000980875120 775896736 /nfs/dbraw/zinc/89/67/36/775896736.db2.gz LCXGNKMVZXMQAD-UHFFFAOYSA-N 1 2 337.423 2.437 20 30 EEEDLO CCc1ocnc1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000980875120 775896745 /nfs/dbraw/zinc/89/67/45/775896745.db2.gz LCXGNKMVZXMQAD-UHFFFAOYSA-N 1 2 337.423 2.437 20 30 EEEDLO Cc1cc(N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)nc(C(C)C)[nH+]1 ZINC001058855546 775976534 /nfs/dbraw/zinc/97/65/34/775976534.db2.gz CBHGLXQLZRLQBP-AWEZNQCLSA-N 1 2 338.415 2.435 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)c2ncccn2)cc1 ZINC001028067342 776952935 /nfs/dbraw/zinc/95/29/35/776952935.db2.gz QWQTYTAYAQTEFT-YJBOKZPZSA-N 1 2 334.423 2.413 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)c2ncccn2)cc1 ZINC001028067342 776952939 /nfs/dbraw/zinc/95/29/39/776952939.db2.gz QWQTYTAYAQTEFT-YJBOKZPZSA-N 1 2 334.423 2.413 20 30 EEEDLO C=CCCOCC(=O)NCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001127659044 777785372 /nfs/dbraw/zinc/78/53/72/777785372.db2.gz LDXHIWCEOWRNEA-UHFFFAOYSA-N 1 2 344.459 2.247 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1)C1CCC1 ZINC000981701951 778044522 /nfs/dbraw/zinc/04/45/22/778044522.db2.gz RKTCJQUODQNURB-LJQANCHMSA-N 1 2 341.455 2.408 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1)C1CCC1 ZINC000981701951 778044532 /nfs/dbraw/zinc/04/45/32/778044532.db2.gz RKTCJQUODQNURB-LJQANCHMSA-N 1 2 341.455 2.408 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@@H+]([C@H](C)c1nncn1C)C2 ZINC000981938174 778588525 /nfs/dbraw/zinc/58/85/25/778588525.db2.gz ZLGWGCCFQHTZDY-CQSZACIVSA-N 1 2 331.464 2.013 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@H+]([C@H](C)c1nncn1C)C2 ZINC000981938174 778588529 /nfs/dbraw/zinc/58/85/29/778588529.db2.gz ZLGWGCCFQHTZDY-CQSZACIVSA-N 1 2 331.464 2.013 20 30 EEEDLO C=CCCCC(=O)N(CC)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106944618 779596132 /nfs/dbraw/zinc/59/61/32/779596132.db2.gz BQYQUZTXJBLXNP-UHFFFAOYSA-N 1 2 331.464 2.081 20 30 EEEDLO C=CCCCC(=O)N(CC)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106944618 779596134 /nfs/dbraw/zinc/59/61/34/779596134.db2.gz BQYQUZTXJBLXNP-UHFFFAOYSA-N 1 2 331.464 2.081 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2ccnn2)cc1 ZINC001028257259 779715458 /nfs/dbraw/zinc/71/54/58/779715458.db2.gz VSJLMWXMZBSYFJ-INIZCTEOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2ccnn2)cc1 ZINC001028257259 779715464 /nfs/dbraw/zinc/71/54/64/779715464.db2.gz VSJLMWXMZBSYFJ-INIZCTEOSA-N 1 2 345.834 2.214 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@H](F)C3)C2)c(F)c1 ZINC001031930084 780021720 /nfs/dbraw/zinc/02/17/20/780021720.db2.gz SFWJFMIEWLUGQV-HOCLYGCPSA-N 1 2 333.382 2.384 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)CCC ZINC001028333128 780771920 /nfs/dbraw/zinc/77/19/20/780771920.db2.gz IZICTSBMPSIRMR-HUUCEWRRSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)CCC ZINC001028333128 780771926 /nfs/dbraw/zinc/77/19/26/780771926.db2.gz IZICTSBMPSIRMR-HUUCEWRRSA-N 1 2 341.883 2.111 20 30 EEEDLO CCN(CCNc1ccc(C#N)cn1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001106964099 781552278 /nfs/dbraw/zinc/55/22/78/781552278.db2.gz GXNSOAQGLZQJTK-AWEZNQCLSA-N 1 2 326.404 2.061 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2ccon2)[C@H]1CC ZINC001087522630 781660975 /nfs/dbraw/zinc/66/09/75/781660975.db2.gz OFGZKBLXWQURDK-QWHCGFSZSA-N 1 2 342.237 2.095 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2ccon2)[C@H]1CC ZINC001087522630 781660979 /nfs/dbraw/zinc/66/09/79/781660979.db2.gz OFGZKBLXWQURDK-QWHCGFSZSA-N 1 2 342.237 2.095 20 30 EEEDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccc(Br)c(C#N)c1 ZINC001226729691 781761153 /nfs/dbraw/zinc/76/11/53/781761153.db2.gz PSAMUFVLZUYIGA-NSHDSACASA-N 1 2 325.206 2.420 20 30 EEEDLO C[N@@H+](Cc1ccccc1)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000170637348 790926775 /nfs/dbraw/zinc/92/67/75/790926775.db2.gz UUTIGDHIBJEKGM-FQEVSTJZSA-N 1 2 348.406 2.415 20 30 EEEDLO C[N@H+](Cc1ccccc1)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000170637348 790926779 /nfs/dbraw/zinc/92/67/79/790926779.db2.gz UUTIGDHIBJEKGM-FQEVSTJZSA-N 1 2 348.406 2.415 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cncc(Cl)c2)C1 ZINC001032052082 783335412 /nfs/dbraw/zinc/33/54/12/783335412.db2.gz UGAFTPNZOIVNKQ-UHFFFAOYSA-N 1 2 340.814 2.468 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c(C)nn(C)c2Cl)C1 ZINC001033310727 783473814 /nfs/dbraw/zinc/47/38/14/783473814.db2.gz ZKQJRCUANIMPHT-LLVKDONJSA-N 1 2 331.247 2.281 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c(C)nn(C)c2Cl)C1 ZINC001033310727 783473818 /nfs/dbraw/zinc/47/38/18/783473818.db2.gz ZKQJRCUANIMPHT-LLVKDONJSA-N 1 2 331.247 2.281 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nc3ccccc3o2)C1 ZINC001131943467 783504868 /nfs/dbraw/zinc/50/48/68/783504868.db2.gz PWKWKHHKPWCMRN-GJZGRUSLSA-N 1 2 343.427 2.500 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nc3ccccc3o2)C1 ZINC001131943467 783504873 /nfs/dbraw/zinc/50/48/73/783504873.db2.gz PWKWKHHKPWCMRN-GJZGRUSLSA-N 1 2 343.427 2.500 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000809962788 783534922 /nfs/dbraw/zinc/53/49/22/783534922.db2.gz VHVNPXQYNRHMJJ-UHFFFAOYSA-N 1 2 348.446 2.434 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-c3cc[nH]n3)s2)C1 ZINC001035408898 784480870 /nfs/dbraw/zinc/48/08/70/784480870.db2.gz ZDYYACOXYKGBOM-CYBMUJFWSA-N 1 2 346.456 2.145 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(-c3cc[nH]n3)s2)C1 ZINC001035408898 784480873 /nfs/dbraw/zinc/48/08/73/784480873.db2.gz ZDYYACOXYKGBOM-CYBMUJFWSA-N 1 2 346.456 2.145 20 30 EEEDLO C=CCOc1ccccc1C(=O)NC[C@H]1C[N@H+](CC(=C)C)CCO1 ZINC001035415302 784493004 /nfs/dbraw/zinc/49/30/04/784493004.db2.gz CSTIHZDEPKSISK-INIZCTEOSA-N 1 2 330.428 2.258 20 30 EEEDLO C=CCOc1ccccc1C(=O)NC[C@H]1C[N@@H+](CC(=C)C)CCO1 ZINC001035415302 784493013 /nfs/dbraw/zinc/49/30/13/784493013.db2.gz CSTIHZDEPKSISK-INIZCTEOSA-N 1 2 330.428 2.258 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001035456896 784508561 /nfs/dbraw/zinc/50/85/61/784508561.db2.gz VLMFEMSZHLKEEB-SJLPKXTDSA-N 1 2 332.419 2.249 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001035456896 784508568 /nfs/dbraw/zinc/50/85/68/784508568.db2.gz VLMFEMSZHLKEEB-SJLPKXTDSA-N 1 2 332.419 2.249 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2OC2CCC2)C1 ZINC001035497124 784635517 /nfs/dbraw/zinc/63/55/17/784635517.db2.gz SKHZCSJMCLWOEO-INIZCTEOSA-N 1 2 330.428 2.235 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2OC2CCC2)C1 ZINC001035497124 784635520 /nfs/dbraw/zinc/63/55/20/784635520.db2.gz SKHZCSJMCLWOEO-INIZCTEOSA-N 1 2 330.428 2.235 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(C(CC)CC)c2C)C1 ZINC001035574173 784712432 /nfs/dbraw/zinc/71/24/32/784712432.db2.gz LTUNLPXJWZKQPY-KRWDZBQOSA-N 1 2 346.475 2.007 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cnn(C(CC)CC)c2C)C1 ZINC001035574173 784712437 /nfs/dbraw/zinc/71/24/37/784712437.db2.gz LTUNLPXJWZKQPY-KRWDZBQOSA-N 1 2 346.475 2.007 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001035619077 784808819 /nfs/dbraw/zinc/80/88/19/784808819.db2.gz JUQKRPOTEYRCOG-AWEZNQCLSA-N 1 2 343.427 2.183 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001035619077 784808829 /nfs/dbraw/zinc/80/88/29/784808829.db2.gz JUQKRPOTEYRCOG-AWEZNQCLSA-N 1 2 343.427 2.183 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(F)(F)C(F)F)nc1 ZINC001135958173 784893485 /nfs/dbraw/zinc/89/34/85/784893485.db2.gz DIWBIMCPSPDHJB-WDEREUQCSA-N 1 2 345.340 2.450 20 30 EEEDLO C/C(=C\C(=O)Nc1cc(C#N)ccc1NC1CC1)C[NH+]1CCOCC1 ZINC000907935194 784971270 /nfs/dbraw/zinc/97/12/70/784971270.db2.gz PIEUMSNJHWDVCK-GXDHUFHOSA-N 1 2 340.427 2.350 20 30 EEEDLO C=CC[C@@H](NC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1)c1ccncc1 ZINC000817823334 785017947 /nfs/dbraw/zinc/01/79/47/785017947.db2.gz UPXYPGNEXQEWSN-QGZVFWFLSA-N 1 2 338.411 2.143 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)CCCNc1[nH+]cnc2c1cnn2C ZINC001109577366 805708138 /nfs/dbraw/zinc/70/81/38/805708138.db2.gz DQUHREWECVCLCA-UHFFFAOYSA-N 1 2 330.436 2.226 20 30 EEEDLO CC(C)(C)c1csc(NC(=O)N2CC[NH+](CCO)CC2)c1C#N ZINC000821482351 786779940 /nfs/dbraw/zinc/77/99/40/786779940.db2.gz RUSPCUVFLLPHJB-UHFFFAOYSA-N 1 2 336.461 2.059 20 30 EEEDLO Cc1nc(N(C)C[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001062096401 787378141 /nfs/dbraw/zinc/37/81/41/787378141.db2.gz LFQAORGBYGPEAB-DZGCQCFKSA-N 1 2 341.459 2.108 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(Cl)s2)[C@@H](O)C1 ZINC001090629907 787428305 /nfs/dbraw/zinc/42/83/05/787428305.db2.gz TVXGJOBOWUNLHS-RYUDHWBXSA-N 1 2 349.283 2.248 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(Cl)s2)[C@@H](O)C1 ZINC001090629907 787428309 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c1ccc(C[N@H+]2CCC(=NNCc3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000823779906 787935088 /nfs/dbraw/zinc/93/50/88/787935088.db2.gz KYHCBBBSRRMVRH-UHFFFAOYSA-N 1 2 347.426 2.218 20 30 EEEDLO c1ccc(C[N@@H+]2CCC(=NNCc3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC000823779906 787935096 /nfs/dbraw/zinc/93/50/96/787935096.db2.gz KYHCBBBSRRMVRH-UHFFFAOYSA-N 1 2 347.426 2.218 20 30 EEEDLO C=CC[C@H]1CCCN(C(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000912390163 788154507 /nfs/dbraw/zinc/15/45/07/788154507.db2.gz XNVBPPODLIQTMX-KRWDZBQOSA-N 1 2 331.460 2.249 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3[nH]ccc3s2)[C@H](O)C1 ZINC001090765599 788162989 /nfs/dbraw/zinc/16/29/89/788162989.db2.gz WPIVLSYUELGTHF-CMPLNLGQSA-N 1 2 339.848 2.147 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3[nH]ccc3s2)[C@H](O)C1 ZINC001090765599 788162992 /nfs/dbraw/zinc/16/29/92/788162992.db2.gz WPIVLSYUELGTHF-CMPLNLGQSA-N 1 2 339.848 2.147 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccnn2C)CC1 ZINC001109675697 805857286 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340.826 2.360 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2sccc2CC)[C@H](O)C1 ZINC001090831443 788489142 /nfs/dbraw/zinc/48/91/42/788489142.db2.gz UKBXYSOCTBWWIJ-QWHCGFSZSA-N 1 2 328.865 2.228 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2sccc2CC)[C@H](O)C1 ZINC001090831443 788489148 /nfs/dbraw/zinc/48/91/48/788489148.db2.gz UKBXYSOCTBWWIJ-QWHCGFSZSA-N 1 2 328.865 2.228 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](N(C)C(=O)CCc2c[nH+]cn2C)CC1 ZINC001079023296 788497610 /nfs/dbraw/zinc/49/76/10/788497610.db2.gz KTNGXQDMRGPJSK-INIZCTEOSA-N 1 2 346.475 2.158 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001077742709 788893529 /nfs/dbraw/zinc/89/35/29/788893529.db2.gz DFLTWQMZTREPNM-JSGCOSHPSA-N 1 2 346.475 2.046 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001077742709 788893543 /nfs/dbraw/zinc/89/35/43/788893543.db2.gz DFLTWQMZTREPNM-JSGCOSHPSA-N 1 2 346.475 2.046 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C2CC[NH+]([C@H](C)c3nnc(C)[nH]3)CC2)C1 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ZINC001148512737 792462991 /nfs/dbraw/zinc/46/29/91/792462991.db2.gz XMUNJTJMQZYAJX-LBPRGKRZSA-N 1 2 345.281 2.102 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)C[C@H](C)COC)C2)C1 ZINC001148512737 792463001 /nfs/dbraw/zinc/46/30/01/792463001.db2.gz XMUNJTJMQZYAJX-LBPRGKRZSA-N 1 2 345.281 2.102 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001064139407 792552431 /nfs/dbraw/zinc/55/24/31/792552431.db2.gz DUQLOFNTAPVYRO-WBMJQRKESA-N 1 2 341.390 2.360 20 30 EEEDLO Cc1nc(NC[C@@H]2CCCC[C@H]2NC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001064168291 792581277 /nfs/dbraw/zinc/58/12/77/792581277.db2.gz MKGATXFGJROVLQ-LSDHHAIUSA-N 1 2 338.415 2.386 20 30 EEEDLO C#CCOCCC(=O)N[C@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001109904817 806184198 /nfs/dbraw/zinc/18/41/98/806184198.db2.gz BYKCGENFWLSISM-MRXNPFEDSA-N 1 2 342.443 2.009 20 30 EEEDLO Cc1cc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001064465549 793176150 /nfs/dbraw/zinc/17/61/50/793176150.db2.gz MGHOLBYSJNTLRB-MAZHCROVSA-N 1 2 339.443 2.392 20 30 EEEDLO C#CCCCC(=O)N(C)CCOCCN(C)c1nc(C)[nH+]c(C)c1C ZINC001091889044 793352905 /nfs/dbraw/zinc/35/29/05/793352905.db2.gz XRFMRLIYDGNMFY-UHFFFAOYSA-N 1 2 346.475 2.117 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001091910454 793396165 /nfs/dbraw/zinc/39/61/65/793396165.db2.gz XPUXTOGNZYREOV-DYVFJYSZSA-N 1 2 334.489 2.421 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001091910454 793396168 /nfs/dbraw/zinc/39/61/68/793396168.db2.gz XPUXTOGNZYREOV-DYVFJYSZSA-N 1 2 334.489 2.421 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001091916117 793402646 /nfs/dbraw/zinc/40/26/46/793402646.db2.gz AWWBMMFXKIUFPA-BEFAXECRSA-N 1 2 345.491 2.352 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001091916117 793402650 /nfs/dbraw/zinc/40/26/50/793402650.db2.gz AWWBMMFXKIUFPA-BEFAXECRSA-N 1 2 345.491 2.352 20 30 EEEDLO C=CCCC(=O)N[C@H]1CN(c2cc[nH+]c(C)n2)CC2(CCOCC2)C1 ZINC001092123955 793590599 /nfs/dbraw/zinc/59/05/99/793590599.db2.gz QMKXCDQPSYWIJS-MRXNPFEDSA-N 1 2 344.459 2.243 20 30 EEEDLO C[C@@H]1C[C@@H](Nc2cccc(F)c2C#N)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001064793057 793771987 /nfs/dbraw/zinc/77/19/87/793771987.db2.gz SARIPLFNAVYSNM-OLZOCXBDSA-N 1 2 341.390 2.455 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC1CC(Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001092261965 793773291 /nfs/dbraw/zinc/77/32/91/793773291.db2.gz ZNIXLSXGPGRSOL-WTNGLUPJSA-N 1 2 346.479 2.155 20 30 EEEDLO C#Cc1cncc(C(=O)NC2C[NH+](Cc3cc(C)sc3C)C2)c1 ZINC001030928934 793975153 /nfs/dbraw/zinc/97/51/53/793975153.db2.gz JPWRVULZZIHISB-UHFFFAOYSA-N 1 2 325.437 2.355 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2CNc2[nH+]cnc3c2cnn3C)C1 ZINC001065006725 794077678 /nfs/dbraw/zinc/07/76/78/794077678.db2.gz NRVDTEDKOCDEHN-ZDUSSCGKSA-N 1 2 340.431 2.123 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1 ZINC001032673606 794085629 /nfs/dbraw/zinc/08/56/29/794085629.db2.gz ZSNZVKWYZTVSGD-VJANTYMQSA-N 1 2 341.455 2.238 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccnc1 ZINC001032673606 794085635 /nfs/dbraw/zinc/08/56/35/794085635.db2.gz ZSNZVKWYZTVSGD-VJANTYMQSA-N 1 2 341.455 2.238 20 30 EEEDLO Cc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)C#N)C3)nc(C2CC2)[nH+]1 ZINC001092811234 794372873 /nfs/dbraw/zinc/37/28/73/794372873.db2.gz CRTHZCPRYYYRGP-PUPMMZHASA-N 1 2 325.416 2.048 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H](CNc1[nH+]cnc2c1cnn2C)C1CC1 ZINC001109992099 806343837 /nfs/dbraw/zinc/34/38/37/806343837.db2.gz ZOWLZRNKPJXYJY-CQSZACIVSA-N 1 2 342.447 2.272 20 30 EEEDLO C[C@H](CC(=O)N[C@@H](CNc1ncccc1C#N)C1CC1)n1cc[nH+]c1 ZINC001109991811 806342621 /nfs/dbraw/zinc/34/26/21/806342621.db2.gz RDCUNRQZJZFTDT-CJNGLKHVSA-N 1 2 338.415 2.108 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001079470340 794806715 /nfs/dbraw/zinc/80/67/15/794806715.db2.gz MDPKDQKFSDBVEA-CXAGYDPISA-N 1 2 341.386 2.224 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001079470340 794806719 /nfs/dbraw/zinc/80/67/19/794806719.db2.gz MDPKDQKFSDBVEA-CXAGYDPISA-N 1 2 341.386 2.224 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2noc(CC)n2)C1 ZINC001036792929 795047067 /nfs/dbraw/zinc/04/70/67/795047067.db2.gz WWAXTFQHTGKFTO-UONOGXRCSA-N 1 2 332.448 2.267 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2noc(CC)n2)C1 ZINC001036792929 795047075 /nfs/dbraw/zinc/04/70/75/795047075.db2.gz WWAXTFQHTGKFTO-UONOGXRCSA-N 1 2 332.448 2.267 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)n(C(F)F)n2)C1 ZINC001079775767 795209195 /nfs/dbraw/zinc/20/91/95/795209195.db2.gz SVCXMSZVBGXFAP-PRHODGIISA-N 1 2 332.782 2.389 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)n(C(F)F)n2)C1 ZINC001079775767 795209197 /nfs/dbraw/zinc/20/91/97/795209197.db2.gz SVCXMSZVBGXFAP-PRHODGIISA-N 1 2 332.782 2.389 20 30 EEEDLO C=C(C)CCC(=O)N1CC(N(CC)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079854753 795283155 /nfs/dbraw/zinc/28/31/55/795283155.db2.gz BIWIINBEOZCHSD-CQSZACIVSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C(C)CCC(=O)N1CC(N(CC)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079854753 795283159 /nfs/dbraw/zinc/28/31/59/795283159.db2.gz BIWIINBEOZCHSD-CQSZACIVSA-N 1 2 332.448 2.004 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3c(C)noc3CC)CC2)C1 ZINC001093596514 795436294 /nfs/dbraw/zinc/43/62/94/795436294.db2.gz GOOHBZFQIDGENT-UHFFFAOYSA-N 1 2 333.432 2.037 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3nc(C)c(C)s3)CC2)C1 ZINC001093596559 795436543 /nfs/dbraw/zinc/43/65/43/795436543.db2.gz JVQTYSRWHRZUFD-UHFFFAOYSA-N 1 2 335.473 2.251 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CCc3nccs3)CC2)C1 ZINC001093598462 795438201 /nfs/dbraw/zinc/43/82/01/795438201.db2.gz ONPKHEROYXFDNG-UHFFFAOYSA-N 1 2 349.500 2.344 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(C)(C)CCCCC)C2)nn1 ZINC001098785184 795463523 /nfs/dbraw/zinc/46/35/23/795463523.db2.gz PVMWJBNPEWHEOQ-QGZVFWFLSA-N 1 2 345.491 2.381 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001080211681 795717541 /nfs/dbraw/zinc/71/75/41/795717541.db2.gz HWJGIODURCVMHO-HUUCEWRRSA-N 1 2 344.459 2.175 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001080211681 795717546 /nfs/dbraw/zinc/71/75/46/795717546.db2.gz HWJGIODURCVMHO-HUUCEWRRSA-N 1 2 344.459 2.175 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H](C)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106531754 795776968 /nfs/dbraw/zinc/77/69/68/795776968.db2.gz NUFLAMPJAUCSSS-AWEZNQCLSA-N 1 2 346.479 2.136 20 30 EEEDLO C[C@@H](CCNc1ncccc1C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001106594216 795909724 /nfs/dbraw/zinc/90/97/24/795909724.db2.gz YSILCBKVIRUTOM-KBPBESRZSA-N 1 2 326.404 2.108 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nn(C)c3c2CCCC3)C1 ZINC001080484133 796076956 /nfs/dbraw/zinc/07/69/56/796076956.db2.gz PSQDWHOZKSMHSC-BXUZGUMPSA-N 1 2 336.867 2.102 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nn(C)c3c2CCCC3)C1 ZINC001080484133 796076964 /nfs/dbraw/zinc/07/69/64/796076964.db2.gz PSQDWHOZKSMHSC-BXUZGUMPSA-N 1 2 336.867 2.102 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3cccc(Cl)c3)nn2)C1 ZINC001094336454 796110297 /nfs/dbraw/zinc/11/02/97/796110297.db2.gz GHEZYBPEEYIMKL-UHFFFAOYSA-N 1 2 345.834 2.294 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@@H+]1Cc1ccns1 ZINC000993235491 796153663 /nfs/dbraw/zinc/15/36/63/796153663.db2.gz ONNJNKUDCUDSPT-RISCZKNCSA-N 1 2 329.429 2.126 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1Cc1ccns1 ZINC000993235491 796153670 /nfs/dbraw/zinc/15/36/70/796153670.db2.gz ONNJNKUDCUDSPT-RISCZKNCSA-N 1 2 329.429 2.126 20 30 EEEDLO C[C@H](C[C@H](C)NC(=O)CCCn1cc[nH+]c1)Nc1ncccc1C#N ZINC001089345789 796351122 /nfs/dbraw/zinc/35/11/22/796351122.db2.gz LOASEOWBWQZTAU-LSDHHAIUSA-N 1 2 340.431 2.325 20 30 EEEDLO C[C@H](C[C@H](C)Nc1ccc(C#N)cn1)NC(=O)CCCn1cc[nH+]c1 ZINC001089346760 796371877 /nfs/dbraw/zinc/37/18/77/796371877.db2.gz RKOKCWLIGXGWMX-LSDHHAIUSA-N 1 2 340.431 2.325 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC2)nc1 ZINC000193767231 796408535 /nfs/dbraw/zinc/40/85/35/796408535.db2.gz NZLLXDOHBRNOBF-QGZVFWFLSA-N 1 2 344.365 2.087 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)cs3)C[C@H]2C)cn1 ZINC001080810377 796411953 /nfs/dbraw/zinc/41/19/53/796411953.db2.gz IUWHEIIEHSCICF-MLGOLLRUSA-N 1 2 340.452 2.078 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)cs3)C[C@H]2C)cn1 ZINC001080810377 796411960 /nfs/dbraw/zinc/41/19/60/796411960.db2.gz IUWHEIIEHSCICF-MLGOLLRUSA-N 1 2 340.452 2.078 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COc3ccccc3O2)C1 ZINC001080887968 796463473 /nfs/dbraw/zinc/46/34/73/796463473.db2.gz WWSFZNMELAAXLK-KFNAQCHYSA-N 1 2 336.819 2.015 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COc3ccccc3O2)C1 ZINC001080887968 796463474 /nfs/dbraw/zinc/46/34/74/796463474.db2.gz WWSFZNMELAAXLK-KFNAQCHYSA-N 1 2 336.819 2.015 20 30 EEEDLO Cc1nsc(NCCCNC(=O)c2cccc3[nH+]ccn32)c1C#N ZINC001094667623 796503029 /nfs/dbraw/zinc/50/30/29/796503029.db2.gz YQTWXPYHLSITKB-UHFFFAOYSA-N 1 2 340.412 2.203 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCCOC2)C1 ZINC001080957940 796519106 /nfs/dbraw/zinc/51/91/06/796519106.db2.gz CQQBBMDKIJMMDE-KWCYVHTRSA-N 1 2 345.281 2.148 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCCOC2)C1 ZINC001080957940 796519110 /nfs/dbraw/zinc/51/91/10/796519110.db2.gz CQQBBMDKIJMMDE-KWCYVHTRSA-N 1 2 345.281 2.148 20 30 EEEDLO Cc1nc(NCCCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)ccc1C#N ZINC001094781801 796576824 /nfs/dbraw/zinc/57/68/24/796576824.db2.gz YYSQVCIPAJIEDY-CQSZACIVSA-N 1 2 338.415 2.023 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3sccc3C(C)C)CC2=O)C1 ZINC001094818599 796598552 /nfs/dbraw/zinc/59/85/52/796598552.db2.gz DREIIIAWPIVKPL-CYBMUJFWSA-N 1 2 347.484 2.072 20 30 EEEDLO C#Cc1ccc(C(=O)NC2C[NH+](CCc3ccc(CC)cc3)C2)nc1 ZINC001031279054 796642518 /nfs/dbraw/zinc/64/25/18/796642518.db2.gz LNIFLIBAFDAZMN-UHFFFAOYSA-N 1 2 333.435 2.282 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C=C1CCC1 ZINC001081520756 796792747 /nfs/dbraw/zinc/79/27/47/796792747.db2.gz XWELRPGVWFATJR-HZPDHXFCSA-N 1 2 331.441 2.045 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C=C1CCC1 ZINC001081520756 796792749 /nfs/dbraw/zinc/79/27/49/796792749.db2.gz XWELRPGVWFATJR-HZPDHXFCSA-N 1 2 331.441 2.045 20 30 EEEDLO C#CCC[N@H+]1CCC[C@@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)[C@H]1C ZINC000993610813 796839459 /nfs/dbraw/zinc/83/94/59/796839459.db2.gz GNUVGKOBNSICFX-VXGBXAGGSA-N 1 2 342.365 2.343 20 30 EEEDLO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)[C@H]1C ZINC000993610813 796839462 /nfs/dbraw/zinc/83/94/62/796839462.db2.gz GNUVGKOBNSICFX-VXGBXAGGSA-N 1 2 342.365 2.343 20 30 EEEDLO C=CCCC(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785677407 806540151 /nfs/dbraw/zinc/54/01/51/806540151.db2.gz LXFKLFHEGBQYDG-UHFFFAOYSA-N 1 2 329.312 2.473 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC3CCCC3)[C@@H]2C)C1 ZINC000993783015 797019502 /nfs/dbraw/zinc/01/95/02/797019502.db2.gz AOXCHDGUTJXDGF-NVXWUHKLSA-N 1 2 347.503 2.371 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC3CCCC3)[C@@H]2C)C1 ZINC000993783015 797019508 /nfs/dbraw/zinc/01/95/08/797019508.db2.gz AOXCHDGUTJXDGF-NVXWUHKLSA-N 1 2 347.503 2.371 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc3[nH]nnc3c2)C12CCC2 ZINC001078807266 797034472 /nfs/dbraw/zinc/03/44/72/797034472.db2.gz VIHXWIUZCANKOZ-GJZGRUSLSA-N 1 2 345.834 2.341 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cn(C)nc2Cl)[C@H]1C ZINC000993827836 797059250 /nfs/dbraw/zinc/05/92/50/797059250.db2.gz IYNHSQLQWNXPSU-DGCLKSJQSA-N 1 2 345.274 2.338 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cn(C)nc2Cl)[C@H]1C ZINC000993827836 797059256 /nfs/dbraw/zinc/05/92/56/797059256.db2.gz IYNHSQLQWNXPSU-DGCLKSJQSA-N 1 2 345.274 2.338 20 30 EEEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1(C)CCCC1 ZINC001081997778 797070123 /nfs/dbraw/zinc/07/01/23/797070123.db2.gz QJDWQTCDLYCEJG-RTBURBONSA-N 1 2 340.467 2.434 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1(C)CCCC1 ZINC001081997778 797070129 /nfs/dbraw/zinc/07/01/29/797070129.db2.gz QJDWQTCDLYCEJG-RTBURBONSA-N 1 2 340.467 2.434 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccnc(N(C)C)c2)[C@H]1C ZINC000993913857 797154413 /nfs/dbraw/zinc/15/44/13/797154413.db2.gz FJGMSMZBCGQMKF-HIFRSBDPSA-N 1 2 336.867 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccnc(N(C)C)c2)[C@H]1C ZINC000993913857 797154417 /nfs/dbraw/zinc/15/44/17/797154417.db2.gz FJGMSMZBCGQMKF-HIFRSBDPSA-N 1 2 336.867 2.483 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3conc3CC)C[C@H]2OC)CC1 ZINC001082097885 797168985 /nfs/dbraw/zinc/16/89/85/797168985.db2.gz FZOVSWKMMBKDQK-QZTJIDSGSA-N 1 2 347.459 2.299 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3conc3CC)C[C@H]2OC)CC1 ZINC001082097885 797168989 /nfs/dbraw/zinc/16/89/89/797168989.db2.gz FZOVSWKMMBKDQK-QZTJIDSGSA-N 1 2 347.459 2.299 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1CC2(CC2)C1 ZINC001082121613 797198413 /nfs/dbraw/zinc/19/84/13/797198413.db2.gz CBDHDDRWTFBOHQ-QZTJIDSGSA-N 1 2 339.439 2.064 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1CC2(CC2)C1 ZINC001082121613 797198419 /nfs/dbraw/zinc/19/84/19/797198419.db2.gz CBDHDDRWTFBOHQ-QZTJIDSGSA-N 1 2 339.439 2.064 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001082252322 797372081 /nfs/dbraw/zinc/37/20/81/797372081.db2.gz HJVWZVIPRRIOMX-AWEZNQCLSA-N 1 2 332.448 2.052 20 30 EEEDLO Cc1nc(N(C)[C@H]2CCN(C(=O)C#CC(C)C)C2)c2c([nH+]1)CCCC2 ZINC001095116022 797372252 /nfs/dbraw/zinc/37/22/52/797372252.db2.gz CXNKRWQTCXSIBI-INIZCTEOSA-N 1 2 340.471 2.360 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001082261373 797380699 /nfs/dbraw/zinc/38/06/99/797380699.db2.gz LGLJVSBHEYOQBE-KRWDZBQOSA-N 1 2 346.475 2.206 20 30 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798001262 /nfs/dbraw/zinc/00/12/62/798001262.db2.gz KTHXCXIUIOFEIU-CXAGYDPISA-N 1 2 338.436 2.361 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccccn4)[C@@H]3C2)s1 ZINC001084151667 798001272 /nfs/dbraw/zinc/00/12/72/798001272.db2.gz KTHXCXIUIOFEIU-CXAGYDPISA-N 1 2 338.436 2.361 20 30 EEEDLO C=CC[N@H+](CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C(C)C ZINC000917481526 798236966 /nfs/dbraw/zinc/23/69/66/798236966.db2.gz NBYOFQORSMBVCN-QGZVFWFLSA-N 1 2 346.387 2.216 20 30 EEEDLO C=CC[N@@H+](CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C(C)C ZINC000917481526 798236970 /nfs/dbraw/zinc/23/69/70/798236970.db2.gz NBYOFQORSMBVCN-QGZVFWFLSA-N 1 2 346.387 2.216 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3ccc(OC)nc3)[C@@H]2C1 ZINC001084510373 798248195 /nfs/dbraw/zinc/24/81/95/798248195.db2.gz FSIKEOCPNSBIDY-HZPDHXFCSA-N 1 2 349.862 2.308 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3ccc(OC)nc3)[C@@H]2C1 ZINC001084510373 798248200 /nfs/dbraw/zinc/24/82/00/798248200.db2.gz 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Cc1conc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084760395 798435740 /nfs/dbraw/zinc/43/57/40/798435740.db2.gz GVMCVAKNHVERRS-IAGOWNOFSA-N 1 2 336.395 2.201 20 30 EEEDLO Cc1conc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084760395 798435745 /nfs/dbraw/zinc/43/57/45/798435745.db2.gz GVMCVAKNHVERRS-IAGOWNOFSA-N 1 2 336.395 2.201 20 30 EEEDLO C=C[C@@H](C(=O)NCCC[NH2+]Cc1noc(CC)n1)c1ccccc1 ZINC001176777863 798557524 /nfs/dbraw/zinc/55/75/24/798557524.db2.gz GVECPTGVMWHMKG-OAHLLOKOSA-N 1 2 328.416 2.198 20 30 EEEDLO CC(C)C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000922024975 798696636 /nfs/dbraw/zinc/69/66/36/798696636.db2.gz HYBMPUFRIHVMIO-CQSZACIVSA-N 1 2 339.436 2.048 20 30 EEEDLO CC(C)C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000922024975 798696638 /nfs/dbraw/zinc/69/66/38/798696638.db2.gz HYBMPUFRIHVMIO-CQSZACIVSA-N 1 2 339.436 2.048 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CCC=CCC3)C[C@H]21 ZINC001177149930 798773611 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EEEDLO C=CCC(CC=C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C(C)C)C2)CC1 ZINC001065685342 799347256 /nfs/dbraw/zinc/34/72/56/799347256.db2.gz CVJKBMFTZHFYOT-GOSISDBHSA-N 1 2 347.503 2.156 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)/C=C/C3CC3)CC2)C1 ZINC001065704385 799351608 /nfs/dbraw/zinc/35/16/08/799351608.db2.gz MFHMGZYFQWEVSB-IWHGQQBYSA-N 1 2 345.487 2.054 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC001065705202 799353372 /nfs/dbraw/zinc/35/33/72/799353372.db2.gz WJTNFKZFIVVWOZ-QGZVFWFLSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCC=C)C2)CC1 ZINC001065695687 799376105 /nfs/dbraw/zinc/37/61/05/799376105.db2.gz YYYRJRALXHLYRU-KRWDZBQOSA-N 1 2 333.476 2.054 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)/C(C)=C/C)C2)CC1 ZINC001065698736 799383982 /nfs/dbraw/zinc/38/39/82/799383982.db2.gz IXYLWNBAKIQIRH-ZYJYZDRHSA-N 1 2 347.503 2.300 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC(C)C)CC2)C1 ZINC001065712415 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/nfs/dbraw/zinc/32/15/04/805321504.db2.gz ZDJREODTBBNUKA-PMPSAXMXSA-N 1 2 344.459 2.309 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC001112846075 807403218 /nfs/dbraw/zinc/40/32/18/807403218.db2.gz DWAGNGBRIHVWGP-INIZCTEOSA-N 1 2 326.440 2.247 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc3nc(C)oc3c2)CC1 ZINC001112987786 807775305 /nfs/dbraw/zinc/77/53/05/807775305.db2.gz XXNFNDZHIXBBFM-UHFFFAOYSA-N 1 2 329.400 2.097 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)C2(c3ccccc3)CCC2)CC1 ZINC001113081110 808063724 /nfs/dbraw/zinc/06/37/24/808063724.db2.gz PPKNXCHXVYNZOJ-UHFFFAOYSA-N 1 2 328.456 2.455 20 30 EEEDLO C=CCCC1(C(=O)N2CC[NH+](CCCc3nc(C)no3)CC2)CC1 ZINC001113310874 808701490 /nfs/dbraw/zinc/70/14/90/808701490.db2.gz SFTQKJVTFLRYCM-UHFFFAOYSA-N 1 2 332.448 2.201 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2csc(C(F)(F)F)n2)CC1 ZINC001113494023 809078991 /nfs/dbraw/zinc/07/89/91/809078991.db2.gz GTGZTAYOVKULJI-UHFFFAOYSA-N 1 2 349.378 2.122 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H](C)N(C)c2cc(C)[nH+]c(C3CC3)n2)cn1 ZINC001113663885 809506935 /nfs/dbraw/zinc/50/69/35/809506935.db2.gz RZALXUBNSAYADT-AWEZNQCLSA-N 1 2 349.438 2.293 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)C23CC(C(F)(F)F)(C2)C3)CC1 ZINC001113687757 809571872 /nfs/dbraw/zinc/57/18/72/809571872.db2.gz JWKQCNHBCHXWJJ-UHFFFAOYSA-N 1 2 332.366 2.066 20 30 EEEDLO C#CCCC[N@@H+]1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000792359829 809715630 /nfs/dbraw/zinc/71/56/30/809715630.db2.gz LZKHFVMLOGWMHL-AWEZNQCLSA-N 1 2 326.318 2.472 20 30 EEEDLO C#CCCC[N@H+]1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000792359829 809715635 /nfs/dbraw/zinc/71/56/35/809715635.db2.gz LZKHFVMLOGWMHL-AWEZNQCLSA-N 1 2 326.318 2.472 20 30 EEEDLO COC[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114038406 810226793 /nfs/dbraw/zinc/22/67/93/810226793.db2.gz PZDQTHFMKWLXNY-KMANFZQXSA-N 1 2 346.858 2.020 20 30 EEEDLO COC[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114038406 810226798 /nfs/dbraw/zinc/22/67/98/810226798.db2.gz PZDQTHFMKWLXNY-KMANFZQXSA-N 1 2 346.858 2.020 20 30 EEEDLO CC(C)[C@@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)cn1 ZINC001114104925 810371913 /nfs/dbraw/zinc/37/19/13/810371913.db2.gz QYMSPKHVIZJNPA-OAHLLOKOSA-N 1 2 340.431 2.204 20 30 EEEDLO C[N@H+](CCc1nccs1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793512585 810375702 /nfs/dbraw/zinc/37/57/02/810375702.db2.gz UELKJHJCFYMETG-UHFFFAOYSA-N 1 2 328.441 2.187 20 30 EEEDLO C[N@@H+](CCc1nccs1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793512585 810375708 /nfs/dbraw/zinc/37/57/08/810375708.db2.gz UELKJHJCFYMETG-UHFFFAOYSA-N 1 2 328.441 2.187 20 30 EEEDLO N#Cc1c(=O)n(C[NH+]2CCC([C@@H]3CCCO3)CC2)cc2c1CCCC2 ZINC000793513603 810376757 /nfs/dbraw/zinc/37/67/57/810376757.db2.gz BUZXPEVNTZXLNH-IBGZPJMESA-N 1 2 341.455 2.447 20 30 EEEDLO C=CCn1cccc1C(=O)NCC[NH2+]Cc1nc(C(C)C)ns1 ZINC001129502534 810868109 /nfs/dbraw/zinc/86/81/09/810868109.db2.gz IAUQCLAMEIYCQV-UHFFFAOYSA-N 1 2 333.461 2.169 20 30 EEEDLO CCCCCCCCOCC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001129522596 810889905 /nfs/dbraw/zinc/88/99/05/810889905.db2.gz FYHXNJMAGFRAIH-UHFFFAOYSA-N 1 2 336.480 2.368 20 30 EEEDLO CCCCC[C@H](CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131128215 812419242 /nfs/dbraw/zinc/41/92/42/812419242.db2.gz WXYVRZDCUREQRH-GVDBMIGSSA-N 1 2 345.491 2.434 20 30 EEEDLO C=CCOc1ccc(C[NH2+][C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1Cl ZINC001119614011 1126147901 /nfs/dbraw/zinc/14/79/01/1126147901.db2.gz UFABXKLRDBOSMX-AWEZNQCLSA-N 1 2 335.791 2.413 20 30 EEEDLO Cn1cc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)c(C(F)F)n1 ZINC001437483755 1089839649 /nfs/dbraw/zinc/83/96/49/1089839649.db2.gz SBTJJYKTQGKUTE-UHFFFAOYSA-N 1 2 347.369 2.091 20 30 EEEDLO Cn1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)c(C(F)F)n1 ZINC001437483755 1089839663 /nfs/dbraw/zinc/83/96/63/1089839663.db2.gz SBTJJYKTQGKUTE-UHFFFAOYSA-N 1 2 347.369 2.091 20 30 EEEDLO C[N@H+](CCNC(=O)[C@H]1COc2ccccc2C1)Cc1ccccc1C#N ZINC001437488266 1089853881 /nfs/dbraw/zinc/85/38/81/1089853881.db2.gz FMFLKQMNJBFKHN-LJQANCHMSA-N 1 2 349.434 2.358 20 30 EEEDLO C[N@@H+](CCNC(=O)[C@H]1COc2ccccc2C1)Cc1ccccc1C#N ZINC001437488266 1089853895 /nfs/dbraw/zinc/85/38/95/1089853895.db2.gz FMFLKQMNJBFKHN-LJQANCHMSA-N 1 2 349.434 2.358 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@](C)(CNC(=O)CCOC)C1 ZINC001439926836 1093006664 /nfs/dbraw/zinc/00/66/64/1093006664.db2.gz KNOVHSYHBVVPNR-AWEZNQCLSA-N 1 2 333.270 2.150 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@](C)(CNC(=O)CCOC)C1 ZINC001439926836 1093006671 /nfs/dbraw/zinc/00/66/71/1093006671.db2.gz KNOVHSYHBVVPNR-AWEZNQCLSA-N 1 2 333.270 2.150 20 30 EEEDLO CC(C)CO[C@@H](C)C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001442372406 1096696190 /nfs/dbraw/zinc/69/61/90/1096696190.db2.gz VYQNWVRRLFVZHF-AWEZNQCLSA-N 1 2 335.423 2.306 20 30 EEEDLO CC(C)CO[C@@H](C)C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001442372406 1096696191 /nfs/dbraw/zinc/69/61/91/1096696191.db2.gz VYQNWVRRLFVZHF-AWEZNQCLSA-N 1 2 335.423 2.306 20 30 EEEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1[nH]c(C)nc1C ZINC001442949606 1097362898 /nfs/dbraw/zinc/36/28/98/1097362898.db2.gz AIZIEGGICCWDOR-UHFFFAOYSA-N 1 2 343.269 2.377 20 30 EEEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1[nH]c(C)nc1C ZINC001442949606 1097362903 /nfs/dbraw/zinc/36/29/03/1097362903.db2.gz AIZIEGGICCWDOR-UHFFFAOYSA-N 1 2 343.269 2.377 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc(OCC)n[nH]2)C1 ZINC001493957762 1103196073 /nfs/dbraw/zinc/19/60/73/1103196073.db2.gz WCZYYQHACLAUBK-CYBMUJFWSA-N 1 2 340.855 2.487 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc(OCC)n[nH]2)C1 ZINC001493957762 1103196080 /nfs/dbraw/zinc/19/60/80/1103196080.db2.gz WCZYYQHACLAUBK-CYBMUJFWSA-N 1 2 340.855 2.487 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnn2cccc(OC)c12 ZINC001506022062 1114351458 /nfs/dbraw/zinc/35/14/58/1114351458.db2.gz UTVPCCOLSGCBRQ-LBPRGKRZSA-N 1 2 336.823 2.146 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnn2cccc(OC)c12 ZINC001506022062 1114351463 /nfs/dbraw/zinc/35/14/63/1114351463.db2.gz UTVPCCOLSGCBRQ-LBPRGKRZSA-N 1 2 336.823 2.146 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C(C)C)cn3)n2CC)CC1 ZINC001520959595 1119204737 /nfs/dbraw/zinc/20/47/37/1119204737.db2.gz CMCDOHRPOUXDNQ-UHFFFAOYSA-N 1 2 338.459 2.239 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccsc2)C1 ZINC001567891484 1124161054 /nfs/dbraw/zinc/16/10/54/1124161054.db2.gz DYZRICYEZKCCOA-MRXNPFEDSA-N 1 2 349.500 2.253 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccsc2)C1 ZINC001567891484 1124161056 /nfs/dbraw/zinc/16/10/56/1124161056.db2.gz DYZRICYEZKCCOA-MRXNPFEDSA-N 1 2 349.500 2.253 20 30 EEEDLO Cc1cc(O)ccc1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001548616392 1124384889 /nfs/dbraw/zinc/38/48/89/1124384889.db2.gz DZRKXDGTTFZSRX-UHFFFAOYSA-N 1 2 349.434 2.459 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1[C@H](/N=C/c2ccccc2O)CCC(=O)N1C1CC1 ZINC001548917874 1124594615 /nfs/dbraw/zinc/59/46/15/1124594615.db2.gz YZTLPGCLRNRJOI-YMHCHUIFSA-N 1 2 338.411 2.439 20 30 EEEDLO CCC(CC)[C@@H](C(=O)NCc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000173055598 282224091 /nfs/dbraw/zinc/22/40/91/282224091.db2.gz MLQTUUYQBZSKCV-SFHVURJKSA-N 1 2 329.444 2.311 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000092798825 529870561 /nfs/dbraw/zinc/87/05/61/529870561.db2.gz VTOLBODTGSMYMS-UHFFFAOYSA-N 1 2 334.367 2.356 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000092798825 529870562 /nfs/dbraw/zinc/87/05/62/529870562.db2.gz VTOLBODTGSMYMS-UHFFFAOYSA-N 1 2 334.367 2.356 20 30 EEEDLO Cc1cc([C@H]2CCCN(C(=O)NCc3ccc(N(C)C)[nH+]c3)C2)[nH]n1 ZINC000328841878 539762421 /nfs/dbraw/zinc/76/24/21/539762421.db2.gz ZWLMXUMVCPBVQX-HNNXBMFYSA-N 1 2 342.447 2.473 20 30 EEEDLO [O-]C(=[NH+]C[C@H]1CCc2[nH+]ccn2C1)N1CCC2(CCOCC2)CC1 ZINC000328883113 539763031 /nfs/dbraw/zinc/76/30/31/539763031.db2.gz NDBOTUCKCKUKIZ-OAHLLOKOSA-N 1 2 332.448 2.252 20 30 EEEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCc2ccc(O)cc2C1 ZINC000328756555 539760184 /nfs/dbraw/zinc/76/01/84/539760184.db2.gz UHOCSVQUAMSTGC-MRXNPFEDSA-N 1 2 338.411 2.338 20 30 EEEDLO COc1cccc(CCNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)n1 ZINC000329366263 539772641 /nfs/dbraw/zinc/77/26/41/539772641.db2.gz GWEVJJKKCRCADC-MRXNPFEDSA-N 1 2 333.432 2.233 20 30 EEEDLO COc1cccc(CCNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)n1 ZINC000329366263 539772646 /nfs/dbraw/zinc/77/26/46/539772646.db2.gz GWEVJJKKCRCADC-MRXNPFEDSA-N 1 2 333.432 2.233 20 30 EEEDLO N#CCN1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000092936413 237042772 /nfs/dbraw/zinc/04/27/72/237042772.db2.gz ANVCMLJECJCDHZ-UHFFFAOYSA-N 1 2 348.244 2.366 20 30 EEEDLO NC(CN1CCOCC1)=[NH+]OCc1csc(C2CCCCC2)n1 ZINC000111181772 237137961 /nfs/dbraw/zinc/13/79/61/237137961.db2.gz ANSKOQJNPZPYSS-UHFFFAOYSA-N 1 2 338.477 2.312 20 30 EEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)CC(C)(C)C#N)cc1 ZINC000350287980 238200939 /nfs/dbraw/zinc/20/09/39/238200939.db2.gz NEZAFIUTIMOZEX-KRWDZBQOSA-N 1 2 329.444 2.424 20 30 EEEDLO Cc1nc(C#N)c(N2CCC(C(=O)Nc3cc[nH+]c(C)c3)CC2)o1 ZINC000193240850 240073897 /nfs/dbraw/zinc/07/38/97/240073897.db2.gz DGNFJNGLBCFNJQ-UHFFFAOYSA-N 1 2 325.372 2.413 20 30 EEEDLO C=CCCn1cc(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)nn1 ZINC000424855959 241068973 /nfs/dbraw/zinc/06/89/73/241068973.db2.gz PKTQPEKTVARJKA-UHFFFAOYSA-N 1 2 325.376 2.049 20 30 EEEDLO C[C@H](NC(=O)C(C)(C)Cc1ccc(C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000455464712 244003336 /nfs/dbraw/zinc/00/33/36/244003336.db2.gz ONHXPZCQECDFRT-HOTGVXAUSA-N 1 2 343.471 2.352 20 30 EEEDLO C#CCNC(=O)C1CC[NH+](Cc2nc3c(cccc3F)n2CC)CC1 ZINC000491384741 246014781 /nfs/dbraw/zinc/01/47/81/246014781.db2.gz PJTOAZMQYCSHNX-UHFFFAOYSA-N 1 2 342.418 2.157 20 30 EEEDLO CC(C)COC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000491428586 246028831 /nfs/dbraw/zinc/02/88/31/246028831.db2.gz MWDOETIUDJNGRU-UHFFFAOYSA-N 1 2 331.416 2.499 20 30 EEEDLO Cc1cc(NC[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)c(C#N)c[nH+]1 ZINC000496096353 247315619 /nfs/dbraw/zinc/31/56/19/247315619.db2.gz YERZSZCASXLECI-HNNXBMFYSA-N 1 2 346.431 2.122 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)c(F)c3)n2C2CC2)CC1 ZINC000491394529 533158464 /nfs/dbraw/zinc/15/84/64/533158464.db2.gz MYQXBDQHSWTEMC-UHFFFAOYSA-N 1 2 339.418 2.483 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC)CC1 ZINC000491741758 533158731 /nfs/dbraw/zinc/15/87/31/533158731.db2.gz ZNTACIBPWLAELF-UHFFFAOYSA-N 1 2 348.454 2.212 20 30 EEEDLO CC(C)C(=O)N1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000118830910 221192849 /nfs/dbraw/zinc/19/28/49/221192849.db2.gz KGQAYLFMAXUWIG-HNNXBMFYSA-N 1 2 342.443 2.076 20 30 EEEDLO CC(C)C(=O)N1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000118830910 221192851 /nfs/dbraw/zinc/19/28/51/221192851.db2.gz KGQAYLFMAXUWIG-HNNXBMFYSA-N 1 2 342.443 2.076 20 30 EEEDLO Cc1nnc([C@@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)s1 ZINC000273702424 256319729 /nfs/dbraw/zinc/31/97/29/256319729.db2.gz NWQDGKVPOWAGOS-KCJUWKMLSA-N 1 2 333.442 2.236 20 30 EEEDLO C#C[C@H](CC)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000491651020 533304652 /nfs/dbraw/zinc/30/46/52/533304652.db2.gz CUWGTLJPHJBMLG-ZACQAIPSSA-N 1 2 349.862 2.423 20 30 EEEDLO C#C[C@H](CC)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000491651020 533304657 /nfs/dbraw/zinc/30/46/57/533304657.db2.gz CUWGTLJPHJBMLG-ZACQAIPSSA-N 1 2 349.862 2.423 20 30 EEEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)c1ccc(Cl)cc1 ZINC000491637090 533327466 /nfs/dbraw/zinc/32/74/66/533327466.db2.gz XYTRCWPWEZNJID-CJNGLKHVSA-N 1 2 335.835 2.034 20 30 EEEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)c1ccc(Cl)cc1 ZINC000491637090 533327470 /nfs/dbraw/zinc/32/74/70/533327470.db2.gz XYTRCWPWEZNJID-CJNGLKHVSA-N 1 2 335.835 2.034 20 30 EEEDLO CCC1=CC(=NS(=O)(=O)c2ccc(C#N)o2)c2ccccc2[NH2+]1 ZINC000342467549 161067834 /nfs/dbraw/zinc/06/78/34/161067834.db2.gz WSTCFQDONOGJHN-UHFFFAOYSA-N 1 2 327.365 2.485 20 30 EEEDLO CCc1ccc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000344001897 161188507 /nfs/dbraw/zinc/18/85/07/161188507.db2.gz BVVZDOAUYPEIFA-UHFFFAOYSA-N 1 2 343.452 2.421 20 30 EEEDLO CCc1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000344001897 161188508 /nfs/dbraw/zinc/18/85/08/161188508.db2.gz BVVZDOAUYPEIFA-UHFFFAOYSA-N 1 2 343.452 2.421 20 30 EEEDLO Cn1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1C#N ZINC000355461974 163198235 /nfs/dbraw/zinc/19/82/35/163198235.db2.gz GSQPGGGUCMKZEZ-UHFFFAOYSA-N 1 2 326.747 2.383 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)c1 ZINC000359063161 164049119 /nfs/dbraw/zinc/04/91/19/164049119.db2.gz AWCZWLVCYZANOX-UHFFFAOYSA-N 1 2 344.172 2.227 20 30 EEEDLO C[C@H](C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1)c1cccc(C#N)c1 ZINC000360046098 164223321 /nfs/dbraw/zinc/22/33/21/164223321.db2.gz FSXDDHPNEFPADS-LBPRGKRZSA-N 1 2 341.415 2.158 20 30 EEEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)C(N)=O)cc1 ZINC000360062618 164225531 /nfs/dbraw/zinc/22/55/31/164225531.db2.gz XPTXDTLSGBYLMY-OAHLLOKOSA-N 1 2 331.322 2.476 20 30 EEEDLO N#Cc1cccc(C2(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)c1 ZINC000533576265 270022795 /nfs/dbraw/zinc/02/27/95/270022795.db2.gz ZEBDKCFFDHILHM-QGZVFWFLSA-N 1 2 332.407 2.380 20 30 EEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(C(F)(F)F)cnc1C#N ZINC000334028073 267079117 /nfs/dbraw/zinc/07/91/17/267079117.db2.gz IWYJQWJMZGSZDW-DGCLKSJQSA-N 1 2 340.349 2.271 20 30 EEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000280838502 268088297 /nfs/dbraw/zinc/08/82/97/268088297.db2.gz OXGLHNLNWZWTNC-GOSISDBHSA-N 1 2 348.406 2.178 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+](CCO)Cc2cccnc2)cc1Cl ZINC000304889673 268138863 /nfs/dbraw/zinc/13/88/63/268138863.db2.gz KXIOVSQFIMSEIL-UHFFFAOYSA-N 1 2 344.802 2.040 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+](CCO)Cc2cccnc2)cc1Cl ZINC000304889673 268138864 /nfs/dbraw/zinc/13/88/64/268138864.db2.gz KXIOVSQFIMSEIL-UHFFFAOYSA-N 1 2 344.802 2.040 20 30 EEEDLO N#Cc1ccccc1OCc1ccc(C(=O)NCCc2[nH]cc[nH+]2)o1 ZINC000171755251 268283213 /nfs/dbraw/zinc/28/32/13/268283213.db2.gz XNAIZGZAMAQOIS-UHFFFAOYSA-N 1 2 336.351 2.426 20 30 EEEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Nc3cc(C#N)ccc3C)C2)CC1 ZINC000106943512 276197499 /nfs/dbraw/zinc/19/74/99/276197499.db2.gz CDKWSPOZEWJOCD-QGZVFWFLSA-N 1 2 341.459 2.110 20 30 EEEDLO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccc(F)cc1C#N ZINC000159087248 311336417 /nfs/dbraw/zinc/33/64/17/311336417.db2.gz NXRYYSOWRWPXOC-UHFFFAOYSA-N 1 2 337.354 2.425 20 30 EEEDLO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccc(F)cc1C#N ZINC000159087248 311336419 /nfs/dbraw/zinc/33/64/19/311336419.db2.gz NXRYYSOWRWPXOC-UHFFFAOYSA-N 1 2 337.354 2.425 20 30 EEEDLO CC[C@@H]1CN(C)CC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000565578050 319194796 /nfs/dbraw/zinc/19/47/96/319194796.db2.gz WMDYILFJIZEHEY-SJLPKXTDSA-N 1 2 326.444 2.080 20 30 EEEDLO CC[C@@H]1CN(C)CC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000565578050 319194798 /nfs/dbraw/zinc/19/47/98/319194798.db2.gz WMDYILFJIZEHEY-SJLPKXTDSA-N 1 2 326.444 2.080 20 30 EEEDLO N#Cc1ccc(NCc2ccc(C[NH+]3CCS(=O)CC3)cc2)nc1 ZINC000521398555 448979976 /nfs/dbraw/zinc/97/99/76/448979976.db2.gz NZKLQJKEOLKPDA-UHFFFAOYSA-N 1 2 340.452 2.130 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@H]1CC[C@H](O)CC1)C2 ZINC000328669727 465095625 /nfs/dbraw/zinc/09/56/25/465095625.db2.gz FJQSWYXPLKTOQG-IHRRRGAJSA-N 1 2 334.464 2.303 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@H]1CC[C@H](O)CC1)C2 ZINC000328669727 465095628 /nfs/dbraw/zinc/09/56/28/465095628.db2.gz FJQSWYXPLKTOQG-IHRRRGAJSA-N 1 2 334.464 2.303 20 30 EEEDLO CS[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000296282792 465142811 /nfs/dbraw/zinc/14/28/11/465142811.db2.gz MWFGQOFZLHQRIK-OAHLLOKOSA-N 1 2 341.440 2.120 20 30 EEEDLO CS[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000296282792 465142814 /nfs/dbraw/zinc/14/28/14/465142814.db2.gz MWFGQOFZLHQRIK-OAHLLOKOSA-N 1 2 341.440 2.120 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CCNC(C)=O)C1 ZINC000347669945 465159612 /nfs/dbraw/zinc/15/96/12/465159612.db2.gz XJZXUQRHSWUMFR-YJBOKZPZSA-N 1 2 343.427 2.011 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CCNC(C)=O)C1 ZINC000347669945 465159614 /nfs/dbraw/zinc/15/96/14/465159614.db2.gz XJZXUQRHSWUMFR-YJBOKZPZSA-N 1 2 343.427 2.011 20 30 EEEDLO C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000328915513 465167137 /nfs/dbraw/zinc/16/71/37/465167137.db2.gz JSSIXLNCOPESQN-TUKIKUTGSA-N 1 2 332.379 2.330 20 30 EEEDLO CC[C@@](C)(C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000354943411 465215023 /nfs/dbraw/zinc/21/50/23/465215023.db2.gz RFFPBGMQKZZLPB-YOEHRIQHSA-N 1 2 333.436 2.131 20 30 EEEDLO CC[C@@](C)(C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000354943411 465215027 /nfs/dbraw/zinc/21/50/27/465215027.db2.gz RFFPBGMQKZZLPB-YOEHRIQHSA-N 1 2 333.436 2.131 20 30 EEEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)n1 ZINC000329071625 465223801 /nfs/dbraw/zinc/22/38/01/465223801.db2.gz ZATULLDWHCSPCH-LLVKDONJSA-N 1 2 330.344 2.184 20 30 EEEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)n1 ZINC000329071625 465223804 /nfs/dbraw/zinc/22/38/04/465223804.db2.gz ZATULLDWHCSPCH-LLVKDONJSA-N 1 2 330.344 2.184 20 30 EEEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000329084659 465228716 /nfs/dbraw/zinc/22/87/16/465228716.db2.gz TXCRRAKLLSAXPP-DOTOQJQBSA-N 1 2 345.443 2.234 20 30 EEEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000329084659 465228721 /nfs/dbraw/zinc/22/87/21/465228721.db2.gz TXCRRAKLLSAXPP-DOTOQJQBSA-N 1 2 345.443 2.234 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](c2ccccc2)C(C)C)C1=O ZINC000337198643 465238394 /nfs/dbraw/zinc/23/83/94/465238394.db2.gz AHCRVOFQBUHOFI-MJGOQNOKSA-N 1 2 343.471 2.219 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](c2ccccc2)C(C)C)C1=O ZINC000337198643 465238398 /nfs/dbraw/zinc/23/83/98/465238398.db2.gz AHCRVOFQBUHOFI-MJGOQNOKSA-N 1 2 343.471 2.219 20 30 EEEDLO CN1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)c2ccc[nH+]c21 ZINC000355621734 465260717 /nfs/dbraw/zinc/26/07/17/465260717.db2.gz SJMDYUIHKJLXBU-UHFFFAOYSA-N 1 2 348.815 2.252 20 30 EEEDLO C=CC[C@H](CO)CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000342204755 465300834 /nfs/dbraw/zinc/30/08/34/465300834.db2.gz HNDSVGZFJNOZBD-AWEZNQCLSA-N 1 2 333.457 2.177 20 30 EEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000568105279 468274530 /nfs/dbraw/zinc/27/45/30/468274530.db2.gz QXENFENFQGTTTI-OAHLLOKOSA-N 1 2 330.432 2.389 20 30 EEEDLO Cc1cc([C@@H]2CCCN(C([O-])=[NH+][C@H]3CCc4[nH]c[nH+]c4C3)C2)n[nH]1 ZINC000329539585 465365693 /nfs/dbraw/zinc/36/56/93/465365693.db2.gz CMGGQXBMWAAZNM-OLZOCXBDSA-N 1 2 328.420 2.092 20 30 EEEDLO CC(C)(C#N)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000063699409 462663782 /nfs/dbraw/zinc/66/37/82/462663782.db2.gz HIAYOXKTGAFLTK-UHFFFAOYSA-N 1 2 345.834 2.182 20 30 EEEDLO COCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccc(C#N)cc1 ZINC000063754565 462668776 /nfs/dbraw/zinc/66/87/76/462668776.db2.gz LJCAZJMNPFRXBA-IBGZPJMESA-N 1 2 342.443 2.061 20 30 EEEDLO COCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccc(C#N)cc1 ZINC000063754565 462668780 /nfs/dbraw/zinc/66/87/80/462668780.db2.gz LJCAZJMNPFRXBA-IBGZPJMESA-N 1 2 342.443 2.061 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000064442125 462703824 /nfs/dbraw/zinc/70/38/24/462703824.db2.gz XVEGCTKMQUUMQV-UHFFFAOYSA-N 1 2 348.450 2.142 20 30 EEEDLO C=CC[NH+]1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000008122534 462768070 /nfs/dbraw/zinc/76/80/70/462768070.db2.gz PPQDSOAUBDCDNM-UHFFFAOYSA-N 1 2 330.819 2.194 20 30 EEEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCCN(CC(F)F)CC3)o2)cc1 ZINC000091084570 462834193 /nfs/dbraw/zinc/83/41/93/462834193.db2.gz YKXXTMYELRJRLP-UHFFFAOYSA-N 1 2 347.369 2.381 20 30 EEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCN(CC(F)F)CC3)o2)cc1 ZINC000091084570 462834195 /nfs/dbraw/zinc/83/41/95/462834195.db2.gz YKXXTMYELRJRLP-UHFFFAOYSA-N 1 2 347.369 2.381 20 30 EEEDLO CCOC(=O)C1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000015024841 462938472 /nfs/dbraw/zinc/93/84/72/462938472.db2.gz GAYFNYJFSRRLFT-UHFFFAOYSA-N 1 2 343.427 2.208 20 30 EEEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCNC(=O)[C@H]2c2ccccc2)cc1 ZINC000156134813 462983869 /nfs/dbraw/zinc/98/38/69/462983869.db2.gz DALFQONKTHSXKD-LJQANCHMSA-N 1 2 348.406 2.060 20 30 EEEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCNC(=O)[C@H]2c2ccccc2)cc1 ZINC000156134813 462983872 /nfs/dbraw/zinc/98/38/72/462983872.db2.gz DALFQONKTHSXKD-LJQANCHMSA-N 1 2 348.406 2.060 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN([C@H](C)c2cccnc2)CC1 ZINC000120390921 462992926 /nfs/dbraw/zinc/99/29/26/462992926.db2.gz FOZDDXLWNKZORL-MSOLQXFVSA-N 1 2 342.487 2.349 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000120390921 462992931 /nfs/dbraw/zinc/99/29/31/462992931.db2.gz FOZDDXLWNKZORL-MSOLQXFVSA-N 1 2 342.487 2.349 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000052240257 463070984 /nfs/dbraw/zinc/07/09/84/463070984.db2.gz YIUSTPYZEOFYQW-OAHLLOKOSA-N 1 2 349.500 2.319 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)NCCC2=CCCCC2)cs1 ZINC000067953715 463073309 /nfs/dbraw/zinc/07/33/09/463073309.db2.gz SQJWJUMXRORXJP-UHFFFAOYSA-N 1 2 336.461 2.290 20 30 EEEDLO Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(O)CC2)ccc1Cl ZINC000078273381 463099005 /nfs/dbraw/zinc/09/90/05/463099005.db2.gz MSEXEMVAZOCYJQ-UHFFFAOYSA-N 1 2 335.835 2.352 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000135056610 463113117 /nfs/dbraw/zinc/11/31/17/463113117.db2.gz SFRGXYYAFYVKDS-FXAWDEMLSA-N 1 2 346.471 2.173 20 30 EEEDLO Cc1nc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)ccc1C#N ZINC000536012209 468339781 /nfs/dbraw/zinc/33/97/81/468339781.db2.gz FHRIHILHMIGYIG-UHFFFAOYSA-N 1 2 326.425 2.281 20 30 EEEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000157638129 463151455 /nfs/dbraw/zinc/15/14/55/463151455.db2.gz AIISDGXSHCBHQK-KBPBESRZSA-N 1 2 333.432 2.190 20 30 EEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000157638129 463151460 /nfs/dbraw/zinc/15/14/60/463151460.db2.gz AIISDGXSHCBHQK-KBPBESRZSA-N 1 2 333.432 2.190 20 30 EEEDLO N#Cc1cc([N+](=O)[O-])ccc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000026717248 463169793 /nfs/dbraw/zinc/16/97/93/463169793.db2.gz CVYSOLQAKZVHSK-UHFFFAOYSA-N 1 2 339.355 2.310 20 30 EEEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000027051720 463180161 /nfs/dbraw/zinc/18/01/61/463180161.db2.gz HZZLRWKAAIIFBS-QGZVFWFLSA-N 1 2 337.354 2.461 20 30 EEEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000027051720 463180166 /nfs/dbraw/zinc/18/01/66/463180166.db2.gz HZZLRWKAAIIFBS-QGZVFWFLSA-N 1 2 337.354 2.461 20 30 EEEDLO Cc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(C)c1 ZINC000080160635 463289074 /nfs/dbraw/zinc/28/90/74/463289074.db2.gz ICDJYQRJSLACBK-UHFFFAOYSA-N 1 2 330.432 2.383 20 30 EEEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Br)o1 ZINC000030215283 463290513 /nfs/dbraw/zinc/29/05/13/463290513.db2.gz ZRCLVDIIIBNVHT-AWEZNQCLSA-N 1 2 340.221 2.282 20 30 EEEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Br)o1 ZINC000030215283 463290518 /nfs/dbraw/zinc/29/05/18/463290518.db2.gz ZRCLVDIIIBNVHT-AWEZNQCLSA-N 1 2 340.221 2.282 20 30 EEEDLO N#Cc1ccc(OCC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000030657039 463307901 /nfs/dbraw/zinc/30/79/01/463307901.db2.gz KXLRTLQWLKIYKG-UHFFFAOYSA-N 1 2 346.390 2.498 20 30 EEEDLO COc1cc(C)c([C@@H](C)NC(=O)C[NH+]2CCC(C#N)CC2)cc1OC ZINC000141958009 463358225 /nfs/dbraw/zinc/35/82/25/463358225.db2.gz CETALIZHTFBTEU-CQSZACIVSA-N 1 2 345.443 2.425 20 30 EEEDLO C=CC[N@@H+](CC(=O)N(CC)CC(=O)NC(C)C)Cc1cccs1 ZINC000071122197 463408886 /nfs/dbraw/zinc/40/88/86/463408886.db2.gz CYIMAVCWYYAYGX-UHFFFAOYSA-N 1 2 337.489 2.109 20 30 EEEDLO C=CC[N@H+](CC(=O)N(CC)CC(=O)NC(C)C)Cc1cccs1 ZINC000071122197 463408893 /nfs/dbraw/zinc/40/88/93/463408893.db2.gz CYIMAVCWYYAYGX-UHFFFAOYSA-N 1 2 337.489 2.109 20 30 EEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000036384982 463437313 /nfs/dbraw/zinc/43/73/13/463437313.db2.gz UKJXBEJOOFQQOP-SFHVURJKSA-N 1 2 341.436 2.236 20 30 EEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000036384982 463437317 /nfs/dbraw/zinc/43/73/17/463437317.db2.gz UKJXBEJOOFQQOP-SFHVURJKSA-N 1 2 341.436 2.236 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(OCC3CC3)CC2)cc1 ZINC000081517251 463451690 /nfs/dbraw/zinc/45/16/90/463451690.db2.gz MWIZILGZZITNDM-UHFFFAOYSA-N 1 2 348.468 2.223 20 30 EEEDLO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC000057878122 463526247 /nfs/dbraw/zinc/52/62/47/463526247.db2.gz YHISVRRPQAMJSK-GFCCVEGCSA-N 1 2 344.415 2.216 20 30 EEEDLO CC(C)(C)OC(=O)CC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000042133277 463545416 /nfs/dbraw/zinc/54/54/16/463545416.db2.gz QLUBJEWVECQPRI-UHFFFAOYSA-N 1 2 346.431 2.277 20 30 EEEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)Nc2cccc(C#N)c2)cs1 ZINC000072920132 463564119 /nfs/dbraw/zinc/56/41/19/463564119.db2.gz NURWOTMOKJUHGV-SNVBAGLBSA-N 1 2 343.412 2.182 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1c(C)nc2sccn21 ZINC000268502750 463769548 /nfs/dbraw/zinc/76/95/48/463769548.db2.gz SVEVDJFQMNSBLX-LBPRGKRZSA-N 1 2 333.461 2.144 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1c(C)nc2sccn21 ZINC000268502750 463769553 /nfs/dbraw/zinc/76/95/53/463769553.db2.gz SVEVDJFQMNSBLX-LBPRGKRZSA-N 1 2 333.461 2.144 20 30 EEEDLO C=CCOc1ccccc1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287425819 463895641 /nfs/dbraw/zinc/89/56/41/463895641.db2.gz QKTYYCIFMCATDY-CVEARBPZSA-N 1 2 330.428 2.187 20 30 EEEDLO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1nnc2ccccn21 ZINC000172613928 464118200 /nfs/dbraw/zinc/11/82/00/464118200.db2.gz XVHHSDHHKKCBDN-CQSZACIVSA-N 1 2 340.431 2.065 20 30 EEEDLO C=C(C)[C@H](CC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)OCC ZINC000270024667 464163381 /nfs/dbraw/zinc/16/33/81/464163381.db2.gz JZKQPSGZHAPBEB-RDJZCZTQSA-N 1 2 347.459 2.294 20 30 EEEDLO C[C@H](O)C[N@@H+]1CCN(c2ccc(C#N)cc2Br)C[C@H]1C ZINC000270395931 464253299 /nfs/dbraw/zinc/25/32/99/464253299.db2.gz UHBFWFGUCSQWKV-NEPJUHHUSA-N 1 2 338.249 2.212 20 30 EEEDLO C[C@H](O)C[N@H+]1CCN(c2ccc(C#N)cc2Br)C[C@H]1C ZINC000270395931 464253303 /nfs/dbraw/zinc/25/33/03/464253303.db2.gz UHBFWFGUCSQWKV-NEPJUHHUSA-N 1 2 338.249 2.212 20 30 EEEDLO N#CCOc1ccc(C[NH+]2CCN(c3ncccc3F)CC2)cc1 ZINC000270712625 464265018 /nfs/dbraw/zinc/26/50/18/464265018.db2.gz XLYOGOVGSVIWLF-UHFFFAOYSA-N 1 2 326.375 2.445 20 30 EEEDLO COC(=O)c1cc(CO[NH+]=C(N)Cc2ccc(OC)cc2)oc1C ZINC000271726161 464370710 /nfs/dbraw/zinc/37/07/10/464370710.db2.gz LPDFAEYSQHPSGC-UHFFFAOYSA-N 1 2 332.356 2.415 20 30 EEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181261534 464463961 /nfs/dbraw/zinc/46/39/61/464463961.db2.gz MYPQLMMATZDEMW-FMPXUHTOSA-N 1 2 349.397 2.161 20 30 EEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181261534 464463966 /nfs/dbraw/zinc/46/39/66/464463966.db2.gz MYPQLMMATZDEMW-FMPXUHTOSA-N 1 2 349.397 2.161 20 30 EEEDLO Cc1cc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)nn1CCC#N ZINC000272070136 464467377 /nfs/dbraw/zinc/46/73/77/464467377.db2.gz KGOOCTPPWNIQHN-ZFWWWQNUSA-N 1 2 341.419 2.417 20 30 EEEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2csc3ccccc32)CC1 ZINC000285245249 464498328 /nfs/dbraw/zinc/49/83/28/464498328.db2.gz RKZJFYRSDRYWAC-UHFFFAOYSA-N 1 2 334.466 2.231 20 30 EEEDLO Cc1ccc2[nH+]cc(CN3CCN(c4nccnc4C#N)C[C@H]3C)n2c1 ZINC000245747182 464513039 /nfs/dbraw/zinc/51/30/39/464513039.db2.gz GVSJFBVWLRWBTJ-OAHLLOKOSA-N 1 2 347.426 2.015 20 30 EEEDLO Cc1ccc2ncc(C[N@H+]3CCN(c4nccnc4C#N)C[C@H]3C)n2c1 ZINC000245747182 464513047 /nfs/dbraw/zinc/51/30/47/464513047.db2.gz GVSJFBVWLRWBTJ-OAHLLOKOSA-N 1 2 347.426 2.015 20 30 EEEDLO Cc1ccc2ncc(C[N@@H+]3CCN(c4nccnc4C#N)C[C@H]3C)n2c1 ZINC000245747182 464513051 /nfs/dbraw/zinc/51/30/51/464513051.db2.gz GVSJFBVWLRWBTJ-OAHLLOKOSA-N 1 2 347.426 2.015 20 30 EEEDLO COCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000245885607 464522760 /nfs/dbraw/zinc/52/27/60/464522760.db2.gz NRZZOVMNUSLOFL-DZGCQCFKSA-N 1 2 349.431 2.223 20 30 EEEDLO COCCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000245885607 464522762 /nfs/dbraw/zinc/52/27/62/464522762.db2.gz NRZZOVMNUSLOFL-DZGCQCFKSA-N 1 2 349.431 2.223 20 30 EEEDLO CCc1nnc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)[nH]1 ZINC000285450013 464569357 /nfs/dbraw/zinc/56/93/57/464569357.db2.gz IWRHNMPOXKJWIK-UHFFFAOYSA-N 1 2 329.379 2.421 20 30 EEEDLO Cc1nc(N2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC2)cc[nH+]1 ZINC000579807067 468413754 /nfs/dbraw/zinc/41/37/54/468413754.db2.gz MEUUJQXWEGKDQP-ZWKOTPCHSA-N 1 2 347.422 2.109 20 30 EEEDLO C=CCN1CC[C@H]([NH+]2CCN([C@@H](C)c3cccc(OC)c3)CC2)C1=O ZINC000281976942 464655007 /nfs/dbraw/zinc/65/50/07/464655007.db2.gz LREUBSXOJDXLJQ-LPHOPBHVSA-N 1 2 343.471 2.161 20 30 EEEDLO N#CCSCc1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000272709977 464686768 /nfs/dbraw/zinc/68/67/68/464686768.db2.gz XRXZKPTZQRNUOZ-AWEZNQCLSA-N 1 2 330.413 2.400 20 30 EEEDLO N#CCSCc1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000272709977 464686773 /nfs/dbraw/zinc/68/67/73/464686773.db2.gz XRXZKPTZQRNUOZ-AWEZNQCLSA-N 1 2 330.413 2.400 20 30 EEEDLO C#CC[N@@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)C1CC1 ZINC000274170779 464736606 /nfs/dbraw/zinc/73/66/06/464736606.db2.gz NMWIERKJLUVOON-UHFFFAOYSA-N 1 2 337.423 2.382 20 30 EEEDLO C#CC[N@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)C1CC1 ZINC000274170779 464736612 /nfs/dbraw/zinc/73/66/12/464736612.db2.gz NMWIERKJLUVOON-UHFFFAOYSA-N 1 2 337.423 2.382 20 30 EEEDLO CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)C2(C#N)CCCC2)C1 ZINC000275572192 464781201 /nfs/dbraw/zinc/78/12/01/464781201.db2.gz IXVRGPASNKOOCT-AWEZNQCLSA-N 1 2 328.416 2.211 20 30 EEEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000266741203 464805965 /nfs/dbraw/zinc/80/59/65/464805965.db2.gz QJSJEGNTFDNWFB-KRWDZBQOSA-N 1 2 338.455 2.367 20 30 EEEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000266741203 464805970 /nfs/dbraw/zinc/80/59/70/464805970.db2.gz QJSJEGNTFDNWFB-KRWDZBQOSA-N 1 2 338.455 2.367 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1C(=O)OC ZINC000248940485 464822485 /nfs/dbraw/zinc/82/24/85/464822485.db2.gz YTQONSQXBMYWQK-SJORKVTESA-N 1 2 333.428 2.182 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1C(=O)OC ZINC000248940485 464822490 /nfs/dbraw/zinc/82/24/90/464822490.db2.gz YTQONSQXBMYWQK-SJORKVTESA-N 1 2 333.428 2.182 20 30 EEEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000192235003 464891289 /nfs/dbraw/zinc/89/12/89/464891289.db2.gz CKZLXLGNFZXTAI-UHFFFAOYSA-N 1 2 344.333 2.234 20 30 EEEDLO C#CC[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000192235003 464891294 /nfs/dbraw/zinc/89/12/94/464891294.db2.gz CKZLXLGNFZXTAI-UHFFFAOYSA-N 1 2 344.333 2.234 20 30 EEEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000276414036 464923693 /nfs/dbraw/zinc/92/36/93/464923693.db2.gz LAZDUXNIPGPCAG-SGQUHAKNSA-N 1 2 339.439 2.141 20 30 EEEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000276414036 464923698 /nfs/dbraw/zinc/92/36/98/464923698.db2.gz LAZDUXNIPGPCAG-SGQUHAKNSA-N 1 2 339.439 2.141 20 30 EEEDLO Nc1nc(C2CCCC2)ncc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000329387589 465318920 /nfs/dbraw/zinc/31/89/20/465318920.db2.gz RARKIIOSCMOWOM-LBPRGKRZSA-N 1 2 326.404 2.233 20 30 EEEDLO C[C@@H](C#N)CN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000339579261 465361415 /nfs/dbraw/zinc/36/14/15/465361415.db2.gz BERQEMWTILJHGH-SWLSCSKDSA-N 1 2 329.379 2.450 20 30 EEEDLO CCN(C(=O)NCC[N@@H+]1CCOCC1(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000329621554 465389921 /nfs/dbraw/zinc/38/99/21/465389921.db2.gz RNJAFCTXSLWOMK-OAHLLOKOSA-N 1 2 341.496 2.291 20 30 EEEDLO CCN(C(=O)NCC[N@H+]1CCOCC1(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000329621554 465389929 /nfs/dbraw/zinc/38/99/29/465389929.db2.gz RNJAFCTXSLWOMK-OAHLLOKOSA-N 1 2 341.496 2.291 20 30 EEEDLO C[C@@H]1C[C@H](CCNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CCO1 ZINC000329751409 465423454 /nfs/dbraw/zinc/42/34/54/465423454.db2.gz IWLLVKAWIJOYFY-ZIAGYGMSSA-N 1 2 340.468 2.037 20 30 EEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(-c4nccs4)c3)C[C@H]21 ZINC000329929716 465477678 /nfs/dbraw/zinc/47/76/78/465477678.db2.gz NSMKEBWJMNRFCU-HUUCEWRRSA-N 1 2 344.440 2.370 20 30 EEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(-c4nccs4)c3)C[C@H]21 ZINC000329929716 465477685 /nfs/dbraw/zinc/47/76/85/465477685.db2.gz NSMKEBWJMNRFCU-HUUCEWRRSA-N 1 2 344.440 2.370 20 30 EEEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCc1ccc(N)[nH+]c1 ZINC000343227610 465491239 /nfs/dbraw/zinc/49/12/39/465491239.db2.gz KIQCDNKQKPHBSO-UHFFFAOYSA-N 1 2 329.285 2.535 20 30 EEEDLO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)C[C@@H]1OCCc2ccccc21 ZINC000337682784 465515259 /nfs/dbraw/zinc/51/52/59/465515259.db2.gz NZBLDOONUIMTNP-FQEVSTJZSA-N 1 2 349.434 2.420 20 30 EEEDLO C[N@H+](CC(=O)NCc1cccc(C#N)c1)C[C@@H]1OCCc2ccccc21 ZINC000337682784 465515260 /nfs/dbraw/zinc/51/52/60/465515260.db2.gz NZBLDOONUIMTNP-FQEVSTJZSA-N 1 2 349.434 2.420 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(CC(F)F)CC1 ZINC000352334640 465518159 /nfs/dbraw/zinc/51/81/59/465518159.db2.gz HXDOBAXDJCGZLK-MRXNPFEDSA-N 1 2 340.414 2.038 20 30 EEEDLO O=C(C[N@@H+]1CCc2n[nH]c(=O)cc2C1)NC12CC3CC(CC(C3)C1)C2 ZINC000330138032 465545942 /nfs/dbraw/zinc/54/59/42/465545942.db2.gz IDZXLGRIQDVXQV-UHFFFAOYSA-N 1 2 342.443 2.466 20 30 EEEDLO O=C(C[N@H+]1CCc2n[nH]c(=O)cc2C1)NC12CC3CC(CC(C3)C1)C2 ZINC000330138032 465545952 /nfs/dbraw/zinc/54/59/52/465545952.db2.gz IDZXLGRIQDVXQV-UHFFFAOYSA-N 1 2 342.443 2.466 20 30 EEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCOC[C@H]1c1ccccc1 ZINC000330277685 465594734 /nfs/dbraw/zinc/59/47/34/465594734.db2.gz OPLCVVOYTABDHS-CVEARBPZSA-N 1 2 326.400 2.185 20 30 EEEDLO CNC(=O)Cc1noc(C[NH+]2CCC(c3ncc(C)s3)CC2)n1 ZINC000330282653 465598196 /nfs/dbraw/zinc/59/81/96/465598196.db2.gz ATIFPAYGNQMRSC-UHFFFAOYSA-N 1 2 335.433 2.343 20 30 EEEDLO C=CCn1c(CC2CCCC2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000337821393 465604922 /nfs/dbraw/zinc/60/49/22/465604922.db2.gz SBOYCXLNLRTPIA-QGZVFWFLSA-N 1 2 345.491 2.108 20 30 EEEDLO Cc1cccnc1CNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330334858 465619327 /nfs/dbraw/zinc/61/93/27/465619327.db2.gz RAZYFWZXRJDODJ-CZUORRHYSA-N 1 2 329.404 2.047 20 30 EEEDLO COc1cccc(F)c1NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000330338242 465620339 /nfs/dbraw/zinc/62/03/39/465620339.db2.gz VDLFBIFSZDPLBJ-CYBMUJFWSA-N 1 2 347.394 2.102 20 30 EEEDLO C=CCOc1ccccc1C[NH+]1CCN([C@H](CC)C(=O)OC)CC1 ZINC000348544869 465674082 /nfs/dbraw/zinc/67/40/82/465674082.db2.gz BOSAYFDXYQDUPC-QGZVFWFLSA-N 1 2 332.444 2.321 20 30 EEEDLO COC(=O)c1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000357025554 465710716 /nfs/dbraw/zinc/71/07/16/465710716.db2.gz ALQOGKWXGNVENJ-UHFFFAOYSA-N 1 2 349.390 2.342 20 30 EEEDLO COC(=O)c1ccc2c(c1)C[N@H+](CC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000357025554 465710723 /nfs/dbraw/zinc/71/07/23/465710723.db2.gz ALQOGKWXGNVENJ-UHFFFAOYSA-N 1 2 349.390 2.342 20 30 EEEDLO Cc1nc(NCc2cccc(C(=O)N3CCC(C#N)CC3)c2)cc[nH+]1 ZINC000348738922 465764857 /nfs/dbraw/zinc/76/48/57/465764857.db2.gz IXCGPZKQWOBPBI-UHFFFAOYSA-N 1 2 335.411 2.773 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)CCCC(=O)c2ccc(OC)cc2)CC1 ZINC000299713999 465865892 /nfs/dbraw/zinc/86/58/92/465865892.db2.gz RNRHWDJJXJCKHG-UHFFFAOYSA-N 1 2 342.439 2.216 20 30 EEEDLO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N)c1 ZINC000353462861 465902178 /nfs/dbraw/zinc/90/21/78/465902178.db2.gz PQISQUZTELGBQE-HZSPNIEDSA-N 1 2 333.432 2.361 20 30 EEEDLO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N)c1 ZINC000353462861 465902186 /nfs/dbraw/zinc/90/21/86/465902186.db2.gz PQISQUZTELGBQE-HZSPNIEDSA-N 1 2 333.432 2.361 20 30 EEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CC)CCCCCC)CC1 ZINC000371643994 465917489 /nfs/dbraw/zinc/91/74/89/465917489.db2.gz FVJVOVWILIUJCX-GOSISDBHSA-N 1 2 349.519 2.267 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CC)CCCCCC)CC1 ZINC000371643994 465917497 /nfs/dbraw/zinc/91/74/97/465917497.db2.gz FVJVOVWILIUJCX-GOSISDBHSA-N 1 2 349.519 2.267 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000362784044 466024396 /nfs/dbraw/zinc/02/43/96/466024396.db2.gz ZEUYWGDLDZFFER-YOEHRIQHSA-N 1 2 331.416 2.146 20 30 EEEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000331423929 466077878 /nfs/dbraw/zinc/07/78/78/466077878.db2.gz IKSHCDUEOPWIEB-GDBMZVCRSA-N 1 2 327.432 2.292 20 30 EEEDLO C=CCOCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000346323633 466081550 /nfs/dbraw/zinc/08/15/50/466081550.db2.gz LWQDFTOHJFZDRB-RDJZCZTQSA-N 1 2 338.835 2.031 20 30 EEEDLO C=CCOCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000346323633 466081558 /nfs/dbraw/zinc/08/15/58/466081558.db2.gz LWQDFTOHJFZDRB-RDJZCZTQSA-N 1 2 338.835 2.031 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000346471867 466101356 /nfs/dbraw/zinc/10/13/56/466101356.db2.gz BYQYFAVPTRLQMB-ROUUACIJSA-N 1 2 332.419 2.451 20 30 EEEDLO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC[N@@H+]1C ZINC000362891723 466103052 /nfs/dbraw/zinc/10/30/52/466103052.db2.gz ANQUWKSKYMIYFO-CQSZACIVSA-N 1 2 341.864 2.172 20 30 EEEDLO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC[N@H+]1C ZINC000362891723 466103059 /nfs/dbraw/zinc/10/30/59/466103059.db2.gz ANQUWKSKYMIYFO-CQSZACIVSA-N 1 2 341.864 2.172 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+](CCC)CC(=O)Nc1ccccc1OC ZINC000357627557 466189145 /nfs/dbraw/zinc/18/91/45/466189145.db2.gz NLIZPPVYGPBVAR-AWEZNQCLSA-N 1 2 333.432 2.036 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+](CCC)CC(=O)Nc1ccccc1OC ZINC000357627557 466189148 /nfs/dbraw/zinc/18/91/48/466189148.db2.gz NLIZPPVYGPBVAR-AWEZNQCLSA-N 1 2 333.432 2.036 20 30 EEEDLO O=C(NCC#Cc1cccc(F)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000338731369 466343308 /nfs/dbraw/zinc/34/33/08/466343308.db2.gz ZYMXKNZGJHFDCR-OAHLLOKOSA-N 1 2 326.375 2.490 20 30 EEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000580960507 468486594 /nfs/dbraw/zinc/48/65/94/468486594.db2.gz PGNZVMVTGQCVMW-NSHDSACASA-N 1 2 335.205 2.239 20 30 EEEDLO CCc1nc(C#N)cc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000308165448 466498261 /nfs/dbraw/zinc/49/82/61/466498261.db2.gz HIJLJEBRBXUFPA-KRWDZBQOSA-N 1 2 337.427 2.224 20 30 EEEDLO CCc1nc(C#N)cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000308165448 466498270 /nfs/dbraw/zinc/49/82/70/466498270.db2.gz HIJLJEBRBXUFPA-KRWDZBQOSA-N 1 2 337.427 2.224 20 30 EEEDLO CC[C@@H]1CN(C(=O)[C@]2(C#N)CC23CCCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000333530875 466622671 /nfs/dbraw/zinc/62/26/71/466622671.db2.gz IZFLWVZZCUSUKB-JTDSTZFVSA-N 1 2 331.460 2.030 20 30 EEEDLO C=CCN(CCc1ccco1)C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422586125 466677898 /nfs/dbraw/zinc/67/78/98/466677898.db2.gz FCYZEEAYFLAENU-UHFFFAOYSA-N 1 2 341.411 2.165 20 30 EEEDLO N#C[C@H]1N(C(=O)Cc2cn3ccccc3[nH+]2)CCC[C@@]12CCCCO2 ZINC000373376658 466783884 /nfs/dbraw/zinc/78/38/84/466783884.db2.gz KCDOGGWWCDVXIB-APWZRJJASA-N 1 2 338.411 2.331 20 30 EEEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1cccc(C)c1C#N)CCC2 ZINC000370954945 467054309 /nfs/dbraw/zinc/05/43/09/467054309.db2.gz WROARJPUQNZCAK-CQSZACIVSA-N 1 2 344.440 2.228 20 30 EEEDLO Cc1cc(NC[C@H](c2ccc(F)cc2)N2CCOCC2)c(C#N)c[nH+]1 ZINC000425196890 467088242 /nfs/dbraw/zinc/08/82/42/467088242.db2.gz AIHBEFOHXHAVJN-LJQANCHMSA-N 1 2 340.402 2.308 20 30 EEEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C2 ZINC000377757857 467134230 /nfs/dbraw/zinc/13/42/30/467134230.db2.gz GHYBZMYEZQQHDU-LJQANCHMSA-N 1 2 339.439 2.351 20 30 EEEDLO COc1ccc2c(c1)C1(CC1)C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C2 ZINC000377757857 467134233 /nfs/dbraw/zinc/13/42/33/467134233.db2.gz GHYBZMYEZQQHDU-LJQANCHMSA-N 1 2 339.439 2.351 20 30 EEEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC000451031013 467230120 /nfs/dbraw/zinc/23/01/20/467230120.db2.gz OVPRPZNGKRWSLS-UHFFFAOYSA-N 1 2 341.864 2.121 20 30 EEEDLO Cn1c2c(cccc2F)[nH+]c1N1CCN(c2ncccc2C#N)CC1 ZINC000443433952 467579854 /nfs/dbraw/zinc/57/98/54/467579854.db2.gz GYIGFCRPYKNYHO-UHFFFAOYSA-N 1 2 336.374 2.306 20 30 EEEDLO N#Cc1ccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1F ZINC000454710212 467611222 /nfs/dbraw/zinc/61/12/22/467611222.db2.gz IZMSTHGATWJGFR-OAHLLOKOSA-N 1 2 339.374 2.170 20 30 EEEDLO COc1cc(F)cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000449049840 467615621 /nfs/dbraw/zinc/61/56/21/467615621.db2.gz SIWOPWZCPWATOX-ZDUSSCGKSA-N 1 2 341.390 2.207 20 30 EEEDLO COc1cc(F)cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000449049840 467615623 /nfs/dbraw/zinc/61/56/23/467615623.db2.gz SIWOPWZCPWATOX-ZDUSSCGKSA-N 1 2 341.390 2.207 20 30 EEEDLO C=CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1nc2c(s1)CCCC2 ZINC000527556895 467663508 /nfs/dbraw/zinc/66/35/08/467663508.db2.gz QLKOBGJYLIVRJH-TZMCWYRMSA-N 1 2 335.473 2.260 20 30 EEEDLO C=CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1nc2c(s1)CCCC2 ZINC000527556895 467663512 /nfs/dbraw/zinc/66/35/12/467663512.db2.gz QLKOBGJYLIVRJH-TZMCWYRMSA-N 1 2 335.473 2.260 20 30 EEEDLO Cn1c[nH+]cc1CS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000492629360 467693526 /nfs/dbraw/zinc/69/35/26/467693526.db2.gz KACXAQDDRRBDFD-UHFFFAOYSA-N 1 2 329.303 2.284 20 30 EEEDLO C=CCC1(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CCCC1 ZINC000449801068 467716824 /nfs/dbraw/zinc/71/68/24/467716824.db2.gz GOCTVYAKFGORQL-UHFFFAOYSA-N 1 2 347.503 2.280 20 30 EEEDLO C=CCC1(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CCCC1 ZINC000449801068 467716827 /nfs/dbraw/zinc/71/68/27/467716827.db2.gz GOCTVYAKFGORQL-UHFFFAOYSA-N 1 2 347.503 2.280 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)C1=O ZINC000493052759 467829098 /nfs/dbraw/zinc/82/90/98/467829098.db2.gz NUYPHKGNLNQSNP-ZNMIVQPWSA-N 1 2 337.464 2.103 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)C1=O ZINC000493052759 467829102 /nfs/dbraw/zinc/82/91/02/467829102.db2.gz NUYPHKGNLNQSNP-ZNMIVQPWSA-N 1 2 337.464 2.103 20 30 EEEDLO CC(C)(CC#N)CNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000459259100 467953552 /nfs/dbraw/zinc/95/35/52/467953552.db2.gz NHHZSTGALDHDHD-UHFFFAOYSA-N 1 2 325.416 2.886 20 30 EEEDLO N#Cc1c2c(cnc1NC[C@@]1([NH+]3CCOCC3)CCSC1)CCC2 ZINC000516052285 468010619 /nfs/dbraw/zinc/01/06/19/468010619.db2.gz KLIDVVVSVHZEIW-SFHVURJKSA-N 1 2 344.484 2.062 20 30 EEEDLO C=CCn1cccc1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000488470887 468088013 /nfs/dbraw/zinc/08/80/13/468088013.db2.gz RWUFEZIWVYMIHN-OAHLLOKOSA-N 1 2 340.427 2.224 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000488544854 468091219 /nfs/dbraw/zinc/09/12/19/468091219.db2.gz AUNJJHILOKKLIM-SFHVURJKSA-N 1 2 339.439 2.305 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000488544854 468091221 /nfs/dbraw/zinc/09/12/21/468091221.db2.gz AUNJJHILOKKLIM-SFHVURJKSA-N 1 2 339.439 2.305 20 30 EEEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SCC(N)=O ZINC000489457795 468137461 /nfs/dbraw/zinc/13/74/61/468137461.db2.gz CHERRNKAKAONJJ-CYBMUJFWSA-N 1 2 333.457 2.243 20 30 EEEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SCC(N)=O ZINC000489457795 468137466 /nfs/dbraw/zinc/13/74/66/468137466.db2.gz CHERRNKAKAONJJ-CYBMUJFWSA-N 1 2 333.457 2.243 20 30 EEEDLO COC(=O)c1sccc1NC(=O)C[NH+]1CCC(CCC#N)CC1 ZINC000576634185 468169160 /nfs/dbraw/zinc/16/91/60/468169160.db2.gz BYTUOWHEZQVOHB-UHFFFAOYSA-N 1 2 335.429 2.489 20 30 EEEDLO Cc1ccc(-c2nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cs2)n1C ZINC000576880229 468174445 /nfs/dbraw/zinc/17/44/45/468174445.db2.gz SXHPVFQYWJVAIG-INIZCTEOSA-N 1 2 331.445 2.031 20 30 EEEDLO CCOc1ccccc1OCCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000577876380 468193461 /nfs/dbraw/zinc/19/34/61/468193461.db2.gz VQJCJQCCEPYESR-GOSISDBHSA-N 1 2 333.432 2.204 20 30 EEEDLO C[N@@H+](Cc1cccc(F)c1C#N)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000496386476 468212781 /nfs/dbraw/zinc/21/27/81/468212781.db2.gz LSQKNXNMFAPACI-CYBMUJFWSA-N 1 2 337.395 2.015 20 30 EEEDLO C[N@H+](Cc1cccc(F)c1C#N)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000496386476 468212788 /nfs/dbraw/zinc/21/27/88/468212788.db2.gz LSQKNXNMFAPACI-CYBMUJFWSA-N 1 2 337.395 2.015 20 30 EEEDLO C#CC[N@@H+](CCCOc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000490838480 468255955 /nfs/dbraw/zinc/25/59/55/468255955.db2.gz CBCBNIRCCGWOKV-KRWDZBQOSA-N 1 2 335.469 2.195 20 30 EEEDLO C#CC[N@H+](CCCOc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000490838480 468255956 /nfs/dbraw/zinc/25/59/56/468255956.db2.gz CBCBNIRCCGWOKV-KRWDZBQOSA-N 1 2 335.469 2.195 20 30 EEEDLO C#CCN(CC)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000490893265 468262967 /nfs/dbraw/zinc/26/29/67/468262967.db2.gz SIDFMNVRBNEZKN-IRXDYDNUSA-N 1 2 349.862 2.376 20 30 EEEDLO C#CCN(CC)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000490893265 468262973 /nfs/dbraw/zinc/26/29/73/468262973.db2.gz SIDFMNVRBNEZKN-IRXDYDNUSA-N 1 2 349.862 2.376 20 30 EEEDLO COCCOc1ccc(C#N)cc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000594338617 468556137 /nfs/dbraw/zinc/55/61/37/468556137.db2.gz BSAONFRADXLODM-GFCCVEGCSA-N 1 2 328.372 2.124 20 30 EEEDLO COCCOc1ccc(C#N)cc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000594338617 468556140 /nfs/dbraw/zinc/55/61/40/468556140.db2.gz BSAONFRADXLODM-GFCCVEGCSA-N 1 2 328.372 2.124 20 30 EEEDLO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000600828630 468667137 /nfs/dbraw/zinc/66/71/37/468667137.db2.gz CIRADQQXXYPGMS-DAYGRLMNSA-N 1 2 346.450 2.311 20 30 EEEDLO CCN(CC)C(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000600829941 468668118 /nfs/dbraw/zinc/66/81/18/468668118.db2.gz OLWIPIRXMYAOLU-MAUKXSAKSA-N 1 2 346.450 2.265 20 30 EEEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](C)CO1 ZINC000598000077 468735514 /nfs/dbraw/zinc/73/55/14/468735514.db2.gz XFQUCNOTUIUXNN-GJZGRUSLSA-N 1 2 329.444 2.327 20 30 EEEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](C)CO1 ZINC000598000077 468735517 /nfs/dbraw/zinc/73/55/17/468735517.db2.gz XFQUCNOTUIUXNN-GJZGRUSLSA-N 1 2 329.444 2.327 20 30 EEEDLO N#Cc1ccc(CCNC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000595442542 468854909 /nfs/dbraw/zinc/85/49/09/468854909.db2.gz UNSURPAJWPCYPN-UHFFFAOYSA-N 1 2 337.427 2.175 20 30 EEEDLO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595616626 468924458 /nfs/dbraw/zinc/92/44/58/468924458.db2.gz SCMBOZNHMBIXAO-CQSZACIVSA-N 1 2 328.416 2.000 20 30 EEEDLO CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595616626 468924463 /nfs/dbraw/zinc/92/44/63/468924463.db2.gz SCMBOZNHMBIXAO-CQSZACIVSA-N 1 2 328.416 2.000 20 30 EEEDLO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611175932 469183589 /nfs/dbraw/zinc/18/35/89/469183589.db2.gz PAJIHUZNNJJAFO-SJORKVTESA-N 1 2 328.460 2.092 20 30 EEEDLO Cn1ccnc1[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000573784562 469204191 /nfs/dbraw/zinc/20/41/91/469204191.db2.gz MFXMJSSKBINCQV-QGZVFWFLSA-N 1 2 343.394 2.214 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(F)c1 ZINC000563252716 469212667 /nfs/dbraw/zinc/21/26/67/469212667.db2.gz JSFNSLBEOXWAFR-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](OCCO)C2)c1C#N ZINC000611347148 469232186 /nfs/dbraw/zinc/23/21/86/469232186.db2.gz KOAVDYKMQWAVKY-KRWDZBQOSA-N 1 2 340.427 2.026 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](OCCO)C2)c1C#N ZINC000611347148 469232192 /nfs/dbraw/zinc/23/21/92/469232192.db2.gz KOAVDYKMQWAVKY-KRWDZBQOSA-N 1 2 340.427 2.026 20 30 EEEDLO C[C@@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)c1cccc(C#N)c1 ZINC000611387182 469240191 /nfs/dbraw/zinc/24/01/91/469240191.db2.gz GOCHVUBLTXFCDB-GFCCVEGCSA-N 1 2 340.408 2.231 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000574034731 469249807 /nfs/dbraw/zinc/24/98/07/469249807.db2.gz MTZXMXYVEVJDFE-NSHDSACASA-N 1 2 325.434 2.005 20 30 EEEDLO COc1ccc(C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)cc1C#N ZINC000611462966 469254415 /nfs/dbraw/zinc/25/44/15/469254415.db2.gz SVUAGUYMZQLMMP-UHFFFAOYSA-N 1 2 327.428 2.400 20 30 EEEDLO COc1ccc(C[N@H+]2CCN(C(=O)C3CC3)CC2(C)C)cc1C#N ZINC000611462966 469254420 /nfs/dbraw/zinc/25/44/20/469254420.db2.gz SVUAGUYMZQLMMP-UHFFFAOYSA-N 1 2 327.428 2.400 20 30 EEEDLO N#C[C@]1(F)CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000615530520 469256017 /nfs/dbraw/zinc/25/60/17/469256017.db2.gz AUTKPNFDSJUANK-QGZVFWFLSA-N 1 2 327.363 2.079 20 30 EEEDLO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000564872594 469261031 /nfs/dbraw/zinc/26/10/31/469261031.db2.gz NXXZHADBATVDAU-MRXNPFEDSA-N 1 2 332.429 2.214 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC(C)(C)CCC#N)C(C)(C)CO ZINC000596601246 469310797 /nfs/dbraw/zinc/31/07/97/469310797.db2.gz QFUVOWYCXHKKFX-CYBMUJFWSA-N 1 2 335.452 2.109 20 30 EEEDLO COC1CC[NH+](Cc2cn(Cc3ccc(CC#N)cc3)nn2)CC1 ZINC000603223974 469315152 /nfs/dbraw/zinc/31/51/52/469315152.db2.gz VUAHWPTZROPQNI-UHFFFAOYSA-N 1 2 325.416 2.003 20 30 EEEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CCOCC(F)F)CC1 ZINC000615795458 469317125 /nfs/dbraw/zinc/31/71/25/469317125.db2.gz DPDGDOTVSDGCCR-OAHLLOKOSA-N 1 2 327.350 2.290 20 30 EEEDLO Cc1[nH+]c2ccccc2n1Cc1cn(C[C@@H](O)CC(C)(C)C#N)nn1 ZINC000603267271 469329537 /nfs/dbraw/zinc/32/95/37/469329537.db2.gz NWLPAOYLSWSOQF-HNNXBMFYSA-N 1 2 338.415 2.285 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000619717939 469669572 /nfs/dbraw/zinc/66/95/72/469669572.db2.gz AQBXDTRRBVRCQJ-YPMHNXCESA-N 1 2 347.333 2.105 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000619717939 469669575 /nfs/dbraw/zinc/66/95/75/469669575.db2.gz AQBXDTRRBVRCQJ-YPMHNXCESA-N 1 2 347.333 2.105 20 30 EEEDLO COc1coc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1=O ZINC000619723017 469670720 /nfs/dbraw/zinc/67/07/20/469670720.db2.gz FBOMNFKKVHBKOE-UHFFFAOYSA-N 1 2 325.368 2.101 20 30 EEEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1CC#Cc1ccc(F)cc1 ZINC000625496870 470155300 /nfs/dbraw/zinc/15/53/00/470155300.db2.gz FZWQNETXEDTKBS-LJQANCHMSA-N 1 2 335.386 2.282 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000661121105 471632249 /nfs/dbraw/zinc/63/22/49/471632249.db2.gz UZRHILOPJDAQAE-DOTOQJQBSA-N 1 2 344.459 2.462 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000675235707 485935486 /nfs/dbraw/zinc/93/54/86/485935486.db2.gz TWJVKPMTKZGFON-OAHLLOKOSA-N 1 2 335.448 2.423 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000675235707 485935495 /nfs/dbraw/zinc/93/54/95/485935495.db2.gz TWJVKPMTKZGFON-OAHLLOKOSA-N 1 2 335.448 2.423 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000684783199 485997212 /nfs/dbraw/zinc/99/72/12/485997212.db2.gz UUHCLSHAOKBYKD-OALUTQOASA-N 1 2 344.455 2.230 20 30 EEEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000682446732 486470865 /nfs/dbraw/zinc/47/08/65/486470865.db2.gz CGDFVIAENDPHSL-CYBMUJFWSA-N 1 2 339.399 2.392 20 30 EEEDLO C=CCN(CCOC)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000191132718 526288284 /nfs/dbraw/zinc/28/82/84/526288284.db2.gz LVVQAOLQMNXOQP-UHFFFAOYSA-N 1 2 332.379 2.355 20 30 EEEDLO C#CC[N@@H+](C)CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000192218796 526800531 /nfs/dbraw/zinc/80/05/31/526800531.db2.gz JNAKSMPQJBNQHU-IBGZPJMESA-N 1 2 330.428 2.226 20 30 EEEDLO C#CC[N@H+](C)CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000192218796 526800536 /nfs/dbraw/zinc/80/05/36/526800536.db2.gz JNAKSMPQJBNQHU-IBGZPJMESA-N 1 2 330.428 2.226 20 30 EEEDLO C=CC[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000121904550 527124395 /nfs/dbraw/zinc/12/43/95/527124395.db2.gz XFSTVSVNVSWYHP-NSHDSACASA-N 1 2 326.400 2.470 20 30 EEEDLO C#CCSCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000154778176 527144927 /nfs/dbraw/zinc/14/49/27/527144927.db2.gz MVCBWXKNZZVNQI-OAHLLOKOSA-N 1 2 346.431 2.314 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)N(C)OC)CC2)c1C ZINC000291714267 527294981 /nfs/dbraw/zinc/29/49/81/527294981.db2.gz ITIGBYLIVQRCER-UHFFFAOYSA-N 1 2 347.459 2.205 20 30 EEEDLO N#CCOc1ccc(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000728755399 576524259 /nfs/dbraw/zinc/52/42/59/576524259.db2.gz MALWQLMUTIDDSM-INIZCTEOSA-N 1 2 339.399 2.332 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)nc1 ZINC000728802819 576530405 /nfs/dbraw/zinc/53/04/05/576530405.db2.gz FSAJNMNYNJDXIQ-QGZVFWFLSA-N 1 2 334.354 2.455 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H](c2cccc(C)c2)[NH+]2CCOCC2)cn1 ZINC000728813909 576532478 /nfs/dbraw/zinc/53/24/78/576532478.db2.gz UGVWZUUYSFYTCQ-HXUWFJFHSA-N 1 2 349.434 2.175 20 30 EEEDLO C#CCN1CCC[C@H]1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000730104541 576715690 /nfs/dbraw/zinc/71/56/90/576715690.db2.gz PZCSPRWRACUYIR-HNNXBMFYSA-N 1 2 332.473 2.165 20 30 EEEDLO N#CCCN(C(=O)COC(=O)c1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000731908440 577132247 /nfs/dbraw/zinc/13/22/47/577132247.db2.gz SXDBVOVKMIHOGU-UHFFFAOYSA-N 1 2 348.362 2.438 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)nc1 ZINC000734444732 577297611 /nfs/dbraw/zinc/29/76/11/577297611.db2.gz ARGFXQGZQDTKKE-INIZCTEOSA-N 1 2 329.350 2.374 20 30 EEEDLO C#Cc1cccc(NC(=O)CN(C)C(=O)c2cccc3[nH+]ccn32)c1 ZINC000770413472 577595726 /nfs/dbraw/zinc/59/57/26/577595726.db2.gz RKOHOEAVXPVNSH-UHFFFAOYSA-N 1 2 332.363 2.026 20 30 EEEDLO CC(C)(C#N)CCCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000771182055 577611279 /nfs/dbraw/zinc/61/12/79/577611279.db2.gz MWMMKFOMASJDLL-UHFFFAOYSA-N 1 2 344.459 2.486 20 30 EEEDLO N#Cc1cccn(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1=O ZINC000758203077 577618408 /nfs/dbraw/zinc/61/84/08/577618408.db2.gz JUBFBLDNUJNFNY-SFHVURJKSA-N 1 2 341.386 2.498 20 30 EEEDLO N#Cc1cccn(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1=O ZINC000758203077 577618409 /nfs/dbraw/zinc/61/84/09/577618409.db2.gz JUBFBLDNUJNFNY-SFHVURJKSA-N 1 2 341.386 2.498 20 30 EEEDLO CC(=NNc1ccc(-n2cc[nH+]c2)nn1)c1cc(F)cc(F)c1O ZINC000761837242 577689916 /nfs/dbraw/zinc/68/99/16/577689916.db2.gz VHXSNQKJDSIQCH-UHFFFAOYSA-N 1 2 330.298 2.482 20 30 EEEDLO COC(=O)c1ccc(C(C)N=Nc2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000761854391 577690105 /nfs/dbraw/zinc/69/01/05/577690105.db2.gz DLBWBAMWXMNVTC-UHFFFAOYSA-N 1 2 336.355 2.285 20 30 EEEDLO CC(C)N(C)c1ccc(C=[NH+]Nc2ccc(-n3ccnc3)nn2)cn1 ZINC000761854899 577690181 /nfs/dbraw/zinc/69/01/81/577690181.db2.gz JYLPHWUMGYWWGF-UHFFFAOYSA-N 1 2 336.403 2.348 20 30 EEEDLO CCc1ccc(NC(=O)[C@H](C#N)C(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000753951246 577797238 /nfs/dbraw/zinc/79/72/38/577797238.db2.gz SSHXKBDTDGHUGA-HZPDHXFCSA-N 1 2 345.468 2.334 20 30 EEEDLO Cc1ccc2[nH+]cc(C=NNc3nc4ccccc4c(=O)n3C)n2c1 ZINC000755604429 577827728 /nfs/dbraw/zinc/82/77/28/577827728.db2.gz NZMZYVDAOWPJAI-UHFFFAOYSA-N 1 2 332.367 2.336 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000758034178 577868687 /nfs/dbraw/zinc/86/86/87/577868687.db2.gz FJFPOTNMPLQQCR-SMDDNHRTSA-N 1 2 332.429 2.468 20 30 EEEDLO C[C@@H]1SCC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)[C@H]1C ZINC000744407748 577897342 /nfs/dbraw/zinc/89/73/42/577897342.db2.gz QQGGNJAJBVVURP-STQMWFEESA-N 1 2 328.441 2.246 20 30 EEEDLO C[C@@H]1SCC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)[C@H]1C ZINC000744407748 577897343 /nfs/dbraw/zinc/89/73/43/577897343.db2.gz QQGGNJAJBVVURP-STQMWFEESA-N 1 2 328.441 2.246 20 30 EEEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000745086162 577908457 /nfs/dbraw/zinc/90/84/57/577908457.db2.gz KBMXUBZIPDXMPX-IAGOWNOFSA-N 1 2 341.411 2.081 20 30 EEEDLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000745086162 577908458 /nfs/dbraw/zinc/90/84/58/577908458.db2.gz KBMXUBZIPDXMPX-IAGOWNOFSA-N 1 2 341.411 2.081 20 30 EEEDLO Cc1ccc(C(N)=[NH+]OCC(=O)NCc2cccc(C#N)c2)cc1F ZINC000746094990 577922153 /nfs/dbraw/zinc/92/21/53/577922153.db2.gz AFSIEBXMPUBRMQ-UHFFFAOYSA-N 1 2 340.358 2.169 20 30 EEEDLO C#CC[N@@H+](CC)CC(=O)Nc1cccc(I)c1 ZINC000746457935 577928010 /nfs/dbraw/zinc/92/80/10/577928010.db2.gz VIURUEVVDTWXHR-UHFFFAOYSA-N 1 2 342.180 2.185 20 30 EEEDLO C#CC[N@H+](CC)CC(=O)Nc1cccc(I)c1 ZINC000746457935 577928011 /nfs/dbraw/zinc/92/80/11/577928011.db2.gz VIURUEVVDTWXHR-UHFFFAOYSA-N 1 2 342.180 2.185 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(Cl)c2Cl)CC1 ZINC000749875162 577983224 /nfs/dbraw/zinc/98/32/24/577983224.db2.gz CUUXFIOPVHUXAX-UHFFFAOYSA-N 1 2 327.211 2.150 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000736170773 578184385 /nfs/dbraw/zinc/18/43/85/578184385.db2.gz IHVFFQIUAVDPAW-OTWHNJEPSA-N 1 2 342.439 2.405 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000736170773 578184386 /nfs/dbraw/zinc/18/43/86/578184386.db2.gz IHVFFQIUAVDPAW-OTWHNJEPSA-N 1 2 342.439 2.405 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](OC)C(C)C)C1 ZINC000972243769 678447320 /nfs/dbraw/zinc/44/73/20/678447320.db2.gz YCXKFYFAQSMNKX-OLZOCXBDSA-N 1 2 333.270 2.099 20 30 EEEDLO Clc1cc(-c2nn[nH]n2)cc(N=NCc2cccc3[nH+]ccn32)n1 ZINC000826349971 608541215 /nfs/dbraw/zinc/54/12/15/608541215.db2.gz BUICMRVXMZWKLT-UHFFFAOYSA-N 1 2 339.750 2.009 20 30 EEEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000969515272 675081908 /nfs/dbraw/zinc/08/19/08/675081908.db2.gz ZSOUZKJGDBGVSI-LLVKDONJSA-N 1 2 344.365 2.415 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cncc(F)c2)C1 ZINC000969692206 675168628 /nfs/dbraw/zinc/16/86/28/675168628.db2.gz LVJJCOAZAMPIOL-VHSSKADRSA-N 1 2 347.434 2.138 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(N3CCCC3)nc2)C1 ZINC000970590812 676009167 /nfs/dbraw/zinc/00/91/67/676009167.db2.gz WNTARTVWUYRFRH-CQSZACIVSA-N 1 2 348.878 2.484 20 30 EEEDLO Nc1ccc(C=[NH+]Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)cn1 ZINC000807963227 676035239 /nfs/dbraw/zinc/03/52/39/676035239.db2.gz YOZKZGKWKWPLSI-UHFFFAOYSA-N 1 2 344.318 2.403 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000970955499 676268288 /nfs/dbraw/zinc/26/82/88/676268288.db2.gz WVKFPGLWPLPTBM-SFHVURJKSA-N 1 2 345.418 2.157 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000970955499 676268289 /nfs/dbraw/zinc/26/82/89/676268289.db2.gz WVKFPGLWPLPTBM-SFHVURJKSA-N 1 2 345.418 2.157 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccccc2-n2ccnn2)C1 ZINC000970985966 676295840 /nfs/dbraw/zinc/29/58/40/676295840.db2.gz OOOLGYFOASHWGB-CYBMUJFWSA-N 1 2 345.834 2.070 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(-c3ccccc3)n2)C1 ZINC000971210936 676443272 /nfs/dbraw/zinc/44/32/72/676443272.db2.gz LGKIRPAGEPRVOQ-MAUKXSAKSA-N 1 2 337.427 2.065 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(-c3ccccc3)n2)C1 ZINC000971210936 676443273 /nfs/dbraw/zinc/44/32/73/676443273.db2.gz LGKIRPAGEPRVOQ-MAUKXSAKSA-N 1 2 337.427 2.065 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+](C)[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC000971288050 676471577 /nfs/dbraw/zinc/47/15/77/676471577.db2.gz HJHQWNFJALBAFW-GXTWGEPZSA-N 1 2 327.388 2.090 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC000971288050 676471579 /nfs/dbraw/zinc/47/15/79/676471579.db2.gz HJHQWNFJALBAFW-GXTWGEPZSA-N 1 2 327.388 2.090 20 30 EEEDLO C[N@H+](Cc1coc(C2CC2)n1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971289054 676471863 /nfs/dbraw/zinc/47/18/63/676471863.db2.gz ODRBYCKGYGPURW-OAHLLOKOSA-N 1 2 339.399 2.098 20 30 EEEDLO C[N@@H+](Cc1coc(C2CC2)n1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971289054 676471864 /nfs/dbraw/zinc/47/18/64/676471864.db2.gz ODRBYCKGYGPURW-OAHLLOKOSA-N 1 2 339.399 2.098 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)c3ccccc3)CC2)C1 ZINC000949512271 676510949 /nfs/dbraw/zinc/51/09/49/676510949.db2.gz URENDRJAJRWUQH-KRWDZBQOSA-N 1 2 326.440 2.117 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)c3ccccc3)CC2)C1 ZINC000949512271 676510951 /nfs/dbraw/zinc/51/09/51/676510951.db2.gz URENDRJAJRWUQH-KRWDZBQOSA-N 1 2 326.440 2.117 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](NC(=O)C(F)F)C(C)(C)C1 ZINC000972711373 679709082 /nfs/dbraw/zinc/70/90/82/679709082.db2.gz FHRJOZNGXDHZGN-AWEZNQCLSA-N 1 2 337.370 2.159 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H](NC(=O)C(F)F)C(C)(C)C1 ZINC000972711373 679709085 /nfs/dbraw/zinc/70/90/85/679709085.db2.gz FHRJOZNGXDHZGN-AWEZNQCLSA-N 1 2 337.370 2.159 20 30 EEEDLO 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CWGBIDCUEOPHKU-GASCZTMLSA-N 1 2 338.436 2.008 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cncs2)nc1 ZINC001029558065 686000648 /nfs/dbraw/zinc/00/06/48/686000648.db2.gz CWGBIDCUEOPHKU-GASCZTMLSA-N 1 2 338.436 2.008 20 30 EEEDLO CCc1nnc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)s1 ZINC001040125367 687251580 /nfs/dbraw/zinc/25/15/80/687251580.db2.gz DKOZBNHGONPZRV-CXAGYDPISA-N 1 2 347.488 2.075 20 30 EEEDLO CCc1nnc(C[N@H+]2CCC[C@@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)s1 ZINC001040125367 687251584 /nfs/dbraw/zinc/25/15/84/687251584.db2.gz DKOZBNHGONPZRV-CXAGYDPISA-N 1 2 347.488 2.075 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC([N@@H+](C)Cc3nnnn3C(C)C)CC2)C1 ZINC000985631448 687345119 /nfs/dbraw/zinc/34/51/19/687345119.db2.gz IHXARUPRNDDBHZ-UHFFFAOYSA-N 1 2 346.479 2.033 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC([N@H+](C)Cc3nnnn3C(C)C)CC2)C1 ZINC000985631448 687345123 /nfs/dbraw/zinc/34/51/23/687345123.db2.gz IHXARUPRNDDBHZ-UHFFFAOYSA-N 1 2 346.479 2.033 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)OC)C1 ZINC001027329673 687500374 /nfs/dbraw/zinc/50/03/74/687500374.db2.gz ZTJJIMSPBLEFEO-CHWSQXEVSA-N 1 2 333.270 2.243 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)OC)C1 ZINC001027329673 687500379 /nfs/dbraw/zinc/50/03/79/687500379.db2.gz ZTJJIMSPBLEFEO-CHWSQXEVSA-N 1 2 333.270 2.243 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ncnn3CC)[C@H](C)C2)C1 ZINC000947702551 687540109 /nfs/dbraw/zinc/54/01/09/687540109.db2.gz PNDVDBJMRKMMMH-HUUCEWRRSA-N 1 2 331.464 2.123 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3ncnn3CC)[C@H](C)C2)C1 ZINC000947702551 687540113 /nfs/dbraw/zinc/54/01/13/687540113.db2.gz PNDVDBJMRKMMMH-HUUCEWRRSA-N 1 2 331.464 2.123 20 30 EEEDLO Cn1cc(Cl)c(C[N@H+](C)CC2CCN(C(=O)C#CC3CC3)CC2)n1 ZINC001029965410 688720176 /nfs/dbraw/zinc/72/01/76/688720176.db2.gz YDNQAEIWNXTFRX-UHFFFAOYSA-N 1 2 348.878 2.157 20 30 EEEDLO Cn1cc(Cl)c(C[N@@H+](C)CC2CCN(C(=O)C#CC3CC3)CC2)n1 ZINC001029965410 688720177 /nfs/dbraw/zinc/72/01/77/688720177.db2.gz YDNQAEIWNXTFRX-UHFFFAOYSA-N 1 2 348.878 2.157 20 30 EEEDLO Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)sn1 ZINC001007028361 688732410 /nfs/dbraw/zinc/73/24/10/688732410.db2.gz HIDBHZJEECSNCL-ZDUSSCGKSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1cc(C[N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)sn1 ZINC001007028361 688732413 /nfs/dbraw/zinc/73/24/13/688732413.db2.gz HIDBHZJEECSNCL-ZDUSSCGKSA-N 1 2 329.429 2.046 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCCCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000987163653 689446647 /nfs/dbraw/zinc/44/66/47/689446647.db2.gz ABDHFWFBDPQADJ-HNNXBMFYSA-N 1 2 344.459 2.196 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)C[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)c(C)[nH+]1 ZINC000988282351 690459884 /nfs/dbraw/zinc/45/98/84/690459884.db2.gz CSBKCEMTEWZRGS-XJKSGUPXSA-N 1 2 342.443 2.087 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)C(C)(C)C1 ZINC000977248473 692390125 /nfs/dbraw/zinc/39/01/25/692390125.db2.gz GBEBLEHYUWBIBT-GXTWGEPZSA-N 1 2 333.457 2.068 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)C(C)(C)C1 ZINC000977248473 692390130 /nfs/dbraw/zinc/39/01/30/692390130.db2.gz GBEBLEHYUWBIBT-GXTWGEPZSA-N 1 2 333.457 2.068 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccns3)CC2(C)C)cn1 ZINC000977529671 692725565 /nfs/dbraw/zinc/72/55/65/692725565.db2.gz XRIJHWIYIVHVMQ-MRXNPFEDSA-N 1 2 340.452 2.160 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccns3)CC2(C)C)cn1 ZINC000977529671 692725568 /nfs/dbraw/zinc/72/55/68/692725568.db2.gz XRIJHWIYIVHVMQ-MRXNPFEDSA-N 1 2 340.452 2.160 20 30 EEEDLO Cc1nccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3C#N)CC2(C)C)n1 ZINC000977604031 692812660 /nfs/dbraw/zinc/81/26/60/692812660.db2.gz PTPBLGNVEICKBA-SFHVURJKSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1nccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3C#N)CC2(C)C)n1 ZINC000977604031 692812665 /nfs/dbraw/zinc/81/26/65/692812665.db2.gz PTPBLGNVEICKBA-SFHVURJKSA-N 1 2 349.438 2.297 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC000944183194 1192935240 /nfs/dbraw/zinc/93/52/40/1192935240.db2.gz IPCQOFHEGLROQR-CQSZACIVSA-N 1 2 340.427 2.267 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cscn3)C[C@@H]2C)nc1 ZINC000944192625 1192941564 /nfs/dbraw/zinc/94/15/64/1192941564.db2.gz MNEWVDZVUFSXNT-BBRMVZONSA-N 1 2 340.452 2.160 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cscn3)C[C@@H]2C)nc1 ZINC000944192625 1192941566 /nfs/dbraw/zinc/94/15/66/1192941566.db2.gz MNEWVDZVUFSXNT-BBRMVZONSA-N 1 2 340.452 2.160 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=C)Br ZINC001755191724 1181768346 /nfs/dbraw/zinc/76/83/46/1181768346.db2.gz RBXVVUVHAIEJBA-UKRRQHHQSA-N 1 2 345.281 2.145 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC(=C)Br ZINC001755191724 1181768350 /nfs/dbraw/zinc/76/83/50/1181768350.db2.gz RBXVVUVHAIEJBA-UKRRQHHQSA-N 1 2 345.281 2.145 20 30 EEEDLO COC1(CC(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)CCC1 ZINC001481622750 1181914040 /nfs/dbraw/zinc/91/40/40/1181914040.db2.gz PHAWTOJWLPZOCT-UHFFFAOYSA-N 1 2 345.418 2.205 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H](C)CCC[NH2+]Cc1nnsc1Cl ZINC001755496354 1185571938 /nfs/dbraw/zinc/57/19/38/1185571938.db2.gz FEJAUGJHTYTLLI-NSHDSACASA-N 1 2 328.869 2.225 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cc[nH]c2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088584431 1187534506 /nfs/dbraw/zinc/53/45/06/1187534506.db2.gz UCKQVHCKYGBOTF-PXAZEXFGSA-N 1 2 326.375 2.418 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cc[nH]c2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088584431 1187534509 /nfs/dbraw/zinc/53/45/09/1187534509.db2.gz UCKQVHCKYGBOTF-PXAZEXFGSA-N 1 2 326.375 2.418 20 30 EEEDLO C=CCCOCC(=O)N[C@@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126744372 1187575822 /nfs/dbraw/zinc/57/58/22/1187575822.db2.gz NOVSWDWNXOYNKB-AWEZNQCLSA-N 1 2 332.448 2.099 20 30 EEEDLO C[C@H](CC(=O)N1CCCC[C@H]1C1(CNCC#N)CCC1)n1cc[nH+]c1 ZINC001105566708 1188180292 /nfs/dbraw/zinc/18/02/92/1188180292.db2.gz SHLZVKUIYDXKTD-SJORKVTESA-N 1 2 343.475 2.499 20 30 EEEDLO CN(CCN(C)c1ccc(C#N)cn1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001105595784 1188227263 /nfs/dbraw/zinc/22/72/63/1188227263.db2.gz JWYPQYKYFMDMHF-UHFFFAOYSA-N 1 2 334.383 2.038 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4n[nH]cc4c3)[C@@H]2C1 ZINC001076187546 1188772122 /nfs/dbraw/zinc/77/21/22/1188772122.db2.gz AIUZKLSIYHYXDQ-XJKSGUPXSA-N 1 2 330.819 2.462 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4n[nH]cc4c3)[C@@H]2C1 ZINC001076187546 1188772126 /nfs/dbraw/zinc/77/21/26/1188772126.db2.gz AIUZKLSIYHYXDQ-XJKSGUPXSA-N 1 2 330.819 2.462 20 30 EEEDLO C#CCCCCC(=O)NCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001076212238 1188779820 /nfs/dbraw/zinc/77/98/20/1188779820.db2.gz CEZNRYQVIXYYFU-HNNXBMFYSA-N 1 2 340.427 2.153 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001076532326 1188972651 /nfs/dbraw/zinc/97/26/51/1188972651.db2.gz BUQZLLHGLVBZEG-KBPBESRZSA-N 1 2 334.464 2.202 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001076532326 1188972656 /nfs/dbraw/zinc/97/26/56/1188972656.db2.gz BUQZLLHGLVBZEG-KBPBESRZSA-N 1 2 334.464 2.202 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001105689526 1189342808 /nfs/dbraw/zinc/34/28/08/1189342808.db2.gz QNRXMTHILYQUEN-JSGCOSHPSA-N 1 2 342.447 2.272 20 30 EEEDLO N#Cc1cccnc1NC[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001105694112 1189584318 /nfs/dbraw/zinc/58/43/18/1189584318.db2.gz LFUWMEYIZHHFAQ-ZBFHGGJFSA-N 1 2 338.415 2.006 20 30 EEEDLO N#Cc1cccnc1NC[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001105694112 1189584322 /nfs/dbraw/zinc/58/43/22/1189584322.db2.gz LFUWMEYIZHHFAQ-ZBFHGGJFSA-N 1 2 338.415 2.006 20 30 EEEDLO CCOCC1(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001483660398 1190722870 /nfs/dbraw/zinc/72/28/70/1190722870.db2.gz BNCJYWQVQSBDQF-ZDUSSCGKSA-N 1 2 333.457 2.127 20 30 EEEDLO CCOCC1(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001483660398 1190722874 /nfs/dbraw/zinc/72/28/74/1190722874.db2.gz BNCJYWQVQSBDQF-ZDUSSCGKSA-N 1 2 333.457 2.127 20 30 EEEDLO C=CCCCCC[N@H+]1C[C@]2(F)CN(CCOCC)C(=O)[C@]2(F)C1 ZINC001272699410 1191754038 /nfs/dbraw/zinc/75/40/38/1191754038.db2.gz IWWVGDREINYMBR-DLBZAZTESA-N 1 2 330.419 2.344 20 30 EEEDLO C=CCCCCC[N@@H+]1C[C@]2(F)CN(CCOCC)C(=O)[C@]2(F)C1 ZINC001272699410 1191754039 /nfs/dbraw/zinc/75/40/39/1191754039.db2.gz IWWVGDREINYMBR-DLBZAZTESA-N 1 2 330.419 2.344 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnnn2-c2ccccc2)C1 ZINC001033475587 1194633693 /nfs/dbraw/zinc/63/36/93/1194633693.db2.gz QTCSMMPYRFUBSD-OAHLLOKOSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnnn2-c2ccccc2)C1 ZINC001033475587 1194633694 /nfs/dbraw/zinc/63/36/94/1194633694.db2.gz QTCSMMPYRFUBSD-OAHLLOKOSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cn3cccc(C)c3n2)C1 ZINC001033501252 1194634106 /nfs/dbraw/zinc/63/41/06/1194634106.db2.gz STFDMFCTNXDUBL-MRXNPFEDSA-N 1 2 346.862 2.470 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cn3cccc(C)c3n2)C1 ZINC001033501252 1194634107 /nfs/dbraw/zinc/63/41/07/1194634107.db2.gz STFDMFCTNXDUBL-MRXNPFEDSA-N 1 2 346.862 2.470 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cncc3nc[nH]c32)C1 ZINC001033840280 1195359789 /nfs/dbraw/zinc/35/97/89/1195359789.db2.gz ZRASESYCIVSXPS-GFCCVEGCSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cncc3nc[nH]c32)C1 ZINC001033840280 1195359793 /nfs/dbraw/zinc/35/97/93/1195359793.db2.gz ZRASESYCIVSXPS-GFCCVEGCSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(Cl)n(C)n2)C1 ZINC001033893600 1195459531 /nfs/dbraw/zinc/45/95/31/1195459531.db2.gz YJLCWKFKCDJPQS-NSHDSACASA-N 1 2 331.247 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(Cl)n(C)n2)C1 ZINC001033893600 1195459532 /nfs/dbraw/zinc/45/95/32/1195459532.db2.gz YJLCWKFKCDJPQS-NSHDSACASA-N 1 2 331.247 2.362 20 30 EEEDLO Cc1nc(NCCCC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)ccc1C#N ZINC001090157365 1195507757 /nfs/dbraw/zinc/50/77/57/1195507757.db2.gz SXPIGZKORHZWJT-ZDUSSCGKSA-N 1 2 340.431 2.314 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]2OCCN(c3nc(C)[nH+]c(C)c3C)[C@H]2C1 ZINC001090176566 1195623917 /nfs/dbraw/zinc/62/39/17/1195623917.db2.gz KOVWURIPNVWPKL-DLBZAZTESA-N 1 2 344.459 2.174 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)c2[nH]cnc2C)C1 ZINC001034055288 1195687098 /nfs/dbraw/zinc/68/70/98/1195687098.db2.gz ZUVRAFREVGLMJK-LBPRGKRZSA-N 1 2 341.253 2.163 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)c2[nH]cnc2C)C1 ZINC001034055288 1195687101 /nfs/dbraw/zinc/68/71/01/1195687101.db2.gz ZUVRAFREVGLMJK-LBPRGKRZSA-N 1 2 341.253 2.163 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC001034133958 1195833866 /nfs/dbraw/zinc/83/38/66/1195833866.db2.gz WVPKCYHYOHRTLS-GFCCVEGCSA-N 1 2 341.253 2.211 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC001034133958 1195833870 /nfs/dbraw/zinc/83/38/70/1195833870.db2.gz WVPKCYHYOHRTLS-GFCCVEGCSA-N 1 2 341.253 2.211 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2coc(C)n2)C1 ZINC001034439396 1196235216 /nfs/dbraw/zinc/23/52/16/1196235216.db2.gz MYFOILNUSHGSDD-NJAFHUGGSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2coc(C)n2)C1 ZINC001034439396 1196235220 /nfs/dbraw/zinc/23/52/20/1196235220.db2.gz MYFOILNUSHGSDD-NJAFHUGGSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H](Nc2[nH+]cnc3c2cnn3C)[C@@H]1C ZINC001090238828 1196534453 /nfs/dbraw/zinc/53/44/53/1196534453.db2.gz FKYBMSAYBIGFJG-YDHLFZDLSA-N 1 2 342.447 2.367 20 30 EEEDLO CC1(C)CC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]2O)C1 ZINC001090244184 1196565527 /nfs/dbraw/zinc/56/55/27/1196565527.db2.gz KSRVHHVWQKGGNT-ZWKOTPCHSA-N 1 2 341.455 2.046 20 30 EEEDLO CC1(C)CC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]2O)C1 ZINC001090244184 1196565530 /nfs/dbraw/zinc/56/55/30/1196565530.db2.gz KSRVHHVWQKGGNT-ZWKOTPCHSA-N 1 2 341.455 2.046 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001108160576 1196746056 /nfs/dbraw/zinc/74/60/56/1196746056.db2.gz OSVAXBGPJRUPKC-GOEBONIOSA-N 1 2 328.403 2.042 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001108160576 1196746061 /nfs/dbraw/zinc/74/60/61/1196746061.db2.gz OSVAXBGPJRUPKC-GOEBONIOSA-N 1 2 328.403 2.042 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CCC)c2ccccn2)C1 ZINC001108162477 1196763092 /nfs/dbraw/zinc/76/30/92/1196763092.db2.gz SZLIUCJHSVVZMT-YLJYHZDGSA-N 1 2 343.471 2.196 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CCC)c2ccccn2)C1 ZINC001108162477 1196763095 /nfs/dbraw/zinc/76/30/95/1196763095.db2.gz SZLIUCJHSVVZMT-YLJYHZDGSA-N 1 2 343.471 2.196 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cc3c(cc2Cl)OCO3)C1=O ZINC001273310718 1198021575 /nfs/dbraw/zinc/02/15/75/1198021575.db2.gz YOFOPUZCVLAWJO-GOSISDBHSA-N 1 2 346.814 2.269 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cc3c(cc2Cl)OCO3)C1=O ZINC001273310718 1198021584 /nfs/dbraw/zinc/02/15/84/1198021584.db2.gz YOFOPUZCVLAWJO-GOSISDBHSA-N 1 2 346.814 2.269 20 30 EEEDLO C(=NO[C@H]1CCCCO1)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872361069 1198156819 /nfs/dbraw/zinc/15/68/19/1198156819.db2.gz ZJEFWPCJWYWQGU-SFHVURJKSA-N 1 2 334.416 2.275 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)c(OC)c(F)c2)C1=O ZINC001273327178 1198187324 /nfs/dbraw/zinc/18/73/24/1198187324.db2.gz QUJMYMLEYAMVQY-SFHVURJKSA-N 1 2 334.366 2.174 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)c(OC)c(F)c2)C1=O ZINC001273327178 1198187327 /nfs/dbraw/zinc/18/73/27/1198187327.db2.gz QUJMYMLEYAMVQY-SFHVURJKSA-N 1 2 334.366 2.174 20 30 EEEDLO N#Cc1cccc(OCC(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)c1 ZINC000874895815 1199064925 /nfs/dbraw/zinc/06/49/25/1199064925.db2.gz FVAKSDBOWWKIFC-GOSISDBHSA-N 1 2 339.370 2.249 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCNC(=O)C2CC2)CC[C@@H]1C ZINC001132078523 1199269344 /nfs/dbraw/zinc/26/93/44/1199269344.db2.gz LZFVCESNOBAPPG-DZGCQCFKSA-N 1 2 341.883 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCNC(=O)C2CC2)CC[C@@H]1C ZINC001132078523 1199269350 /nfs/dbraw/zinc/26/93/50/1199269350.db2.gz LZFVCESNOBAPPG-DZGCQCFKSA-N 1 2 341.883 2.014 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccn(C)n3)C2)CCC1 ZINC001132102590 1199296246 /nfs/dbraw/zinc/29/62/46/1199296246.db2.gz XUWPNSLIEJVWNI-HZPDHXFCSA-N 1 2 328.460 2.083 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ccn(C)n3)C2)CCC1 ZINC001132102590 1199296248 /nfs/dbraw/zinc/29/62/48/1199296248.db2.gz XUWPNSLIEJVWNI-HZPDHXFCSA-N 1 2 328.460 2.083 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2ccc(CC)s2)CC[C@@H]1C ZINC001132158015 1199371742 /nfs/dbraw/zinc/37/17/42/1199371742.db2.gz WGZBVTXBOLXJTD-UONOGXRCSA-N 1 2 349.500 2.195 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2ccc(CC)s2)CC[C@@H]1C ZINC001132158015 1199371746 /nfs/dbraw/zinc/37/17/46/1199371746.db2.gz WGZBVTXBOLXJTD-UONOGXRCSA-N 1 2 349.500 2.195 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)NCC3CC3)C2)CC1 ZINC001132277266 1199526416 /nfs/dbraw/zinc/52/64/16/1199526416.db2.gz DPALFQGFBVYHKK-QAPCUYQASA-N 1 2 347.503 2.228 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)NCC3CC3)C2)CC1 ZINC001132277266 1199526418 /nfs/dbraw/zinc/52/64/18/1199526418.db2.gz DPALFQGFBVYHKK-QAPCUYQASA-N 1 2 347.503 2.228 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC2CC2)C1 ZINC001132327631 1199573417 /nfs/dbraw/zinc/57/34/17/1199573417.db2.gz SGDZVERVFYZPIJ-ZBFHGGJFSA-N 1 2 335.492 2.084 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCC2CC2)C1 ZINC001132327631 1199573424 /nfs/dbraw/zinc/57/34/24/1199573424.db2.gz SGDZVERVFYZPIJ-ZBFHGGJFSA-N 1 2 335.492 2.084 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCC2CCC2)C1 ZINC001132326716 1199593067 /nfs/dbraw/zinc/59/30/67/1199593067.db2.gz HKGKSYFAQXAZKB-DOTOQJQBSA-N 1 2 349.519 2.474 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCC2CCC2)C1 ZINC001132326716 1199593069 /nfs/dbraw/zinc/59/30/69/1199593069.db2.gz HKGKSYFAQXAZKB-DOTOQJQBSA-N 1 2 349.519 2.474 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nnc(Cc2ccccc2C)o1 ZINC001132395933 1199652679 /nfs/dbraw/zinc/65/26/79/1199652679.db2.gz VHZJUDQZBLYNQY-UHFFFAOYSA-N 1 2 342.443 2.387 20 30 EEEDLO CC(=[NH+]Nc1ccc(S(N)(=O)=O)cc1)c1cc(F)c(N)c(F)c1 ZINC000814680757 1199661969 /nfs/dbraw/zinc/66/19/69/1199661969.db2.gz GYWMIHJCLOIRRY-UHFFFAOYSA-N 1 2 340.355 2.031 20 30 EEEDLO COCC#CC[N@@H+]1C[C@H](NC(=O)c2cnc(C3CC3)s2)CC[C@@H]1C ZINC001132448404 1199738545 /nfs/dbraw/zinc/73/85/45/1199738545.db2.gz JDAHRWDDJVAYGH-DZGCQCFKSA-N 1 2 347.484 2.253 20 30 EEEDLO COCC#CC[N@H+]1C[C@H](NC(=O)c2cnc(C3CC3)s2)CC[C@@H]1C ZINC001132448404 1199738546 /nfs/dbraw/zinc/73/85/46/1199738546.db2.gz JDAHRWDDJVAYGH-DZGCQCFKSA-N 1 2 347.484 2.253 20 30 EEEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)Cc2ncn(C)c21 ZINC001137116501 1199873480 /nfs/dbraw/zinc/87/34/80/1199873480.db2.gz GWYISPJIWVSUKP-INIZCTEOSA-N 1 2 340.427 2.458 20 30 EEEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)Cc2ncn(C)c21 ZINC001137116501 1199873481 /nfs/dbraw/zinc/87/34/81/1199873481.db2.gz GWYISPJIWVSUKP-INIZCTEOSA-N 1 2 340.427 2.458 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cc(F)cc(F)c1 ZINC001018316567 1224601013 /nfs/dbraw/zinc/60/10/13/1224601013.db2.gz LQGGFLIRCGDAQP-IYBDPMFKSA-N 1 2 334.366 2.042 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cc(F)cc(F)c1 ZINC001018316567 1224601016 /nfs/dbraw/zinc/60/10/16/1224601016.db2.gz LQGGFLIRCGDAQP-IYBDPMFKSA-N 1 2 334.366 2.042 20 30 EEEDLO C[C@H](C#N)C(=O)N(CC[NH2+]Cc1cnon1)Cc1cccc(Cl)c1 ZINC001133393063 1200850781 /nfs/dbraw/zinc/85/07/81/1200850781.db2.gz ZYSVBTDLSNMENI-GFCCVEGCSA-N 1 2 347.806 2.001 20 30 EEEDLO C#CC[C@H](CO)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000879382521 1201035457 /nfs/dbraw/zinc/03/54/57/1201035457.db2.gz XEKGHCUKYYEWSN-MRXNPFEDSA-N 1 2 338.411 2.392 20 30 EEEDLO C[C@](O)(C[NH+]1CCN(c2ccc(F)cc2C#N)CC1)C(F)(F)F ZINC000879589590 1201160447 /nfs/dbraw/zinc/16/04/47/1201160447.db2.gz IZCRWNJCTMYCLN-AWEZNQCLSA-N 1 2 331.313 2.133 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)N(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001018396984 1224673362 /nfs/dbraw/zinc/67/33/62/1224673362.db2.gz WGEKXWOVOLOEHU-DOTOQJQBSA-N 1 2 344.459 2.125 20 30 EEEDLO CCCc1n[nH]cc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015046431 1224681046 /nfs/dbraw/zinc/68/10/46/1224681046.db2.gz AYFUGDGUTQVPSB-KRWDZBQOSA-N 1 2 336.439 2.218 20 30 EEEDLO CCCc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015046431 1224681049 /nfs/dbraw/zinc/68/10/49/1224681049.db2.gz AYFUGDGUTQVPSB-KRWDZBQOSA-N 1 2 336.439 2.218 20 30 EEEDLO CC(C)[C@H](C(=O)Nc1cccc(CC#N)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000882477038 1201877735 /nfs/dbraw/zinc/87/77/35/1201877735.db2.gz LTRHMGGHYDJEQS-JKIFEVAISA-N 1 2 330.432 2.220 20 30 EEEDLO CC(C)[C@H](C(=O)Nc1cccc(CC#N)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000882477038 1201877736 /nfs/dbraw/zinc/87/77/36/1201877736.db2.gz LTRHMGGHYDJEQS-JKIFEVAISA-N 1 2 330.432 2.220 20 30 EEEDLO CC(C)c1n[nH]cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001015067841 1224707288 /nfs/dbraw/zinc/70/72/88/1224707288.db2.gz XINCKNLBDZUMMP-GFCCVEGCSA-N 1 2 343.456 2.471 20 30 EEEDLO CC(C)c1n[nH]cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001015067841 1224707293 /nfs/dbraw/zinc/70/72/93/1224707293.db2.gz XINCKNLBDZUMMP-GFCCVEGCSA-N 1 2 343.456 2.471 20 30 EEEDLO CC[C@H]1COCC[N@@H+]1CCNc1c(C#N)cnn1-c1ccccc1 ZINC000882720529 1201928070 /nfs/dbraw/zinc/92/80/70/1201928070.db2.gz ZUVKVEUDRIAFQI-INIZCTEOSA-N 1 2 325.416 2.267 20 30 EEEDLO CC[C@H]1COCC[N@H+]1CCNc1c(C#N)cnn1-c1ccccc1 ZINC000882720529 1201928071 /nfs/dbraw/zinc/92/80/71/1201928071.db2.gz ZUVKVEUDRIAFQI-INIZCTEOSA-N 1 2 325.416 2.267 20 30 EEEDLO C=CCCCC(=O)N1CC[C@](C)(CNc2[nH+]cnc3c2cnn3C)C1 ZINC001110854259 1204924663 /nfs/dbraw/zinc/92/46/63/1204924663.db2.gz XYKHDCBAGACXQH-GOSISDBHSA-N 1 2 342.447 2.370 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095411524 1204929923 /nfs/dbraw/zinc/92/99/23/1204929923.db2.gz YEJXLAGTBYBRPJ-IBGZPJMESA-N 1 2 346.475 2.321 20 30 EEEDLO C=CCN1CC2(C[NH+](Cc3cccc4c3CCCC4)C2)OCC1=O ZINC001274656829 1205116321 /nfs/dbraw/zinc/11/63/21/1205116321.db2.gz RVQOJGXELNOJNN-UHFFFAOYSA-N 1 2 326.440 2.165 20 30 EEEDLO Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc(C#N)nc1 ZINC001275296127 1205301786 /nfs/dbraw/zinc/30/17/86/1205301786.db2.gz RQQUCRORJCPAJQ-IYBDPMFKSA-N 1 2 325.441 2.177 20 30 EEEDLO Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc(C#N)nc1 ZINC001275296127 1205301787 /nfs/dbraw/zinc/30/17/87/1205301787.db2.gz RQQUCRORJCPAJQ-IYBDPMFKSA-N 1 2 325.441 2.177 20 30 EEEDLO Cc1cc(C[NH+]2CC3(CN(Cc4ccc(F)cc4C#N)C3)C2)n(C)n1 ZINC001275424675 1205354461 /nfs/dbraw/zinc/35/44/61/1205354461.db2.gz BTUQCAZFSCNMFB-UHFFFAOYSA-N 1 2 339.418 2.057 20 30 EEEDLO Cc1ccc(C[NH+]2CC3(CCN3C(=O)C3(C#N)CCOCC3)C2)s1 ZINC001275861948 1205570247 /nfs/dbraw/zinc/57/02/47/1205570247.db2.gz ZQCROGVYYPIROB-UHFFFAOYSA-N 1 2 345.468 2.164 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C)CC1 ZINC001015203959 1224904455 /nfs/dbraw/zinc/90/44/55/1224904455.db2.gz UOBZSUJXFVQENL-HOCLYGCPSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C)CC1 ZINC001015203958 1224904788 /nfs/dbraw/zinc/90/47/88/1224904788.db2.gz UOBZSUJXFVQENL-GOEBONIOSA-N 1 2 344.459 2.194 20 30 EEEDLO C=CCCOCC(=O)NCCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095580678 1205880763 /nfs/dbraw/zinc/88/07/63/1205880763.db2.gz NNHOSZNEYWXVQZ-UHFFFAOYSA-N 1 2 332.448 2.198 20 30 EEEDLO CN(CCCNC(=O)CCc1c[nH+]cn1C)c1cccc(F)c1C#N ZINC001095607797 1205890162 /nfs/dbraw/zinc/89/01/62/1205890162.db2.gz XLCBRKCWXFMFPV-UHFFFAOYSA-N 1 2 343.406 2.006 20 30 EEEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@](C)(Cc2ccc(OC)cc2)C1=O ZINC000777965315 1206612363 /nfs/dbraw/zinc/61/23/63/1206612363.db2.gz VQTKZVMPMOUBGE-GOSISDBHSA-N 1 2 331.416 2.014 20 30 EEEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@](C)(Cc2ccc(OC)cc2)C1=O ZINC000777965315 1206612364 /nfs/dbraw/zinc/61/23/64/1206612364.db2.gz VQTKZVMPMOUBGE-GOSISDBHSA-N 1 2 331.416 2.014 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N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccon3)C2)cc1F ZINC001006841549 1221972016 /nfs/dbraw/zinc/97/20/16/1221972016.db2.gz VTAJAXOYWUUEAD-CQSZACIVSA-N 1 2 328.347 2.080 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccon3)C2)cc1F ZINC001006841549 1221972020 /nfs/dbraw/zinc/97/20/20/1221972020.db2.gz VTAJAXOYWUUEAD-CQSZACIVSA-N 1 2 328.347 2.080 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2cncc(F)c2)C1 ZINC001007083235 1222087414 /nfs/dbraw/zinc/08/74/14/1222087414.db2.gz DGSSZJBHVBDLFT-SFHVURJKSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2cncc(F)c2)C1 ZINC001007083235 1222087419 /nfs/dbraw/zinc/08/74/19/1222087419.db2.gz DGSSZJBHVBDLFT-SFHVURJKSA-N 1 2 338.386 2.487 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1cc[nH]c1 ZINC001007390544 1222202664 /nfs/dbraw/zinc/20/26/64/1222202664.db2.gz JYORESTUHOVEGQ-SFHVURJKSA-N 1 2 325.387 2.400 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)c1cc[nH]c1 ZINC001007390544 1222202668 /nfs/dbraw/zinc/20/26/68/1222202668.db2.gz JYORESTUHOVEGQ-SFHVURJKSA-N 1 2 325.387 2.400 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001008123607 1222635268 /nfs/dbraw/zinc/63/52/68/1222635268.db2.gz PADQWFBWIPOOTB-GFCCVEGCSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001008123607 1222635269 /nfs/dbraw/zinc/63/52/69/1222635269.db2.gz PADQWFBWIPOOTB-GFCCVEGCSA-N 1 2 329.429 2.046 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(C)ncn3)C2)cc1 ZINC001008149616 1222653697 /nfs/dbraw/zinc/65/36/97/1222653697.db2.gz ROKDXKQDFCIDNO-SFHVURJKSA-N 1 2 334.423 2.161 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(C)ncn3)C2)cc1 ZINC001008149616 1222653701 /nfs/dbraw/zinc/65/37/01/1222653701.db2.gz ROKDXKQDFCIDNO-SFHVURJKSA-N 1 2 334.423 2.161 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)O1 ZINC001008593979 1222950170 /nfs/dbraw/zinc/95/01/70/1222950170.db2.gz ZNFKMBYASXTXPH-FHLIZLRMSA-N 1 2 327.428 2.206 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)O1 ZINC001008593979 1222950171 /nfs/dbraw/zinc/95/01/71/1222950171.db2.gz ZNFKMBYASXTXPH-FHLIZLRMSA-N 1 2 327.428 2.206 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)O1 ZINC001008595107 1222950577 /nfs/dbraw/zinc/95/05/77/1222950577.db2.gz DHDHJWNMGTVCNL-RPVQJOFSSA-N 1 2 345.418 2.345 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)O1 ZINC001008595107 1222950580 /nfs/dbraw/zinc/95/05/80/1222950580.db2.gz DHDHJWNMGTVCNL-RPVQJOFSSA-N 1 2 345.418 2.345 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001008812686 1223048525 /nfs/dbraw/zinc/04/85/25/1223048525.db2.gz BDKSXJNPEXJMJI-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001008812686 1223048530 /nfs/dbraw/zinc/04/85/30/1223048530.db2.gz BDKSXJNPEXJMJI-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001008886504 1223067875 /nfs/dbraw/zinc/06/78/75/1223067875.db2.gz HEJHPDWFLFIAOI-CYBMUJFWSA-N 1 2 343.456 2.354 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001008886504 1223067879 /nfs/dbraw/zinc/06/78/79/1223067879.db2.gz HEJHPDWFLFIAOI-CYBMUJFWSA-N 1 2 343.456 2.354 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnn3cc(OC)ccc23)C1 ZINC001008892190 1223071383 /nfs/dbraw/zinc/07/13/83/1223071383.db2.gz JTQJRMQHXWTHLB-ZDUSSCGKSA-N 1 2 348.834 2.290 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnn3cc(OC)ccc23)C1 ZINC001008892190 1223071386 /nfs/dbraw/zinc/07/13/86/1223071386.db2.gz JTQJRMQHXWTHLB-ZDUSSCGKSA-N 1 2 348.834 2.290 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC001009498130 1223264398 /nfs/dbraw/zinc/26/43/98/1223264398.db2.gz UANTXJLREUUGDE-ZDUSSCGKSA-N 1 2 335.835 2.223 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC001009498130 1223264402 /nfs/dbraw/zinc/26/44/02/1223264402.db2.gz UANTXJLREUUGDE-ZDUSSCGKSA-N 1 2 335.835 2.223 20 30 EEEDLO Cc1cnccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010871837 1223949940 /nfs/dbraw/zinc/94/99/40/1223949940.db2.gz WLPZERSWFUSPJK-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cnccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010871837 1223949942 /nfs/dbraw/zinc/94/99/42/1223949942.db2.gz WLPZERSWFUSPJK-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001014460736 1226643319 /nfs/dbraw/zinc/64/33/19/1226643319.db2.gz NDTCECQDUUBFSA-OAGGEKHMSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001014460736 1226643324 /nfs/dbraw/zinc/64/33/24/1226643324.db2.gz NDTCECQDUUBFSA-OAGGEKHMSA-N 1 2 349.862 2.407 20 30 EEEDLO Cc1cccnc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c[nH]1 ZINC001017452499 1227432350 /nfs/dbraw/zinc/43/23/50/1227432350.db2.gz 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COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC001038681013 1229973103 /nfs/dbraw/zinc/97/31/03/1229973103.db2.gz HBSVAHMOASVTSC-KRWDZBQOSA-N 1 2 339.439 2.448 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)c1c[nH]c2ncccc12 ZINC001039026898 1230246577 /nfs/dbraw/zinc/24/65/77/1230246577.db2.gz ZBJYZFVXJLRHNM-KRWDZBQOSA-N 1 2 344.418 2.419 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)c1c[nH]c2ncccc12 ZINC001039026898 1230246583 /nfs/dbraw/zinc/24/65/83/1230246583.db2.gz ZBJYZFVXJLRHNM-KRWDZBQOSA-N 1 2 344.418 2.419 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2cncc2C1 ZINC001039396917 1230579629 /nfs/dbraw/zinc/57/96/29/1230579629.db2.gz NBYVQNSFGBLMGE-OAGGEKHMSA-N 1 2 348.878 2.263 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2cncc2C1 ZINC001039396917 1230579633 /nfs/dbraw/zinc/57/96/33/1230579633.db2.gz NBYVQNSFGBLMGE-OAGGEKHMSA-N 1 2 348.878 2.263 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnn(CC)c1 ZINC001039458057 1230624184 /nfs/dbraw/zinc/62/41/84/1230624184.db2.gz CUAVDHIEFQYZMA-CVEARBPZSA-N 1 2 336.867 2.263 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnn(CC)c1 ZINC001039458057 1230624187 /nfs/dbraw/zinc/62/41/87/1230624187.db2.gz CUAVDHIEFQYZMA-CVEARBPZSA-N 1 2 336.867 2.263 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)CCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001067299624 1230666878 /nfs/dbraw/zinc/66/68/78/1230666878.db2.gz CFBMLRQMQZETIF-OAHLLOKOSA-N 1 2 334.464 2.252 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCCC[C@@H]2CN(C)c2cc[nH+]c(C)n2)cn1 ZINC001039970828 1230940905 /nfs/dbraw/zinc/94/09/05/1230940905.db2.gz WUYPCZUQJRFPHT-GOSISDBHSA-N 1 2 349.438 2.292 20 30 EEEDLO C[C@H]1[C@@H](Nc2ccc(C#N)cn2)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001040205825 1231102911 /nfs/dbraw/zinc/10/29/11/1231102911.db2.gz CGADYIKZHVTFCB-ZFWWWQNUSA-N 1 2 346.394 2.316 20 30 EEEDLO Cc1nsc(N[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C)c1C#N ZINC001040271224 1231144251 /nfs/dbraw/zinc/14/42/51/1231144251.db2.gz GFTOBWPQELQXPO-FZMZJTMJSA-N 1 2 344.444 2.080 20 30 EEEDLO Cc1nsc(N[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C)c1C#N ZINC001040271224 1231144254 /nfs/dbraw/zinc/14/42/54/1231144254.db2.gz GFTOBWPQELQXPO-FZMZJTMJSA-N 1 2 344.444 2.080 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@](C)(CNc3cc[nH+]c(C)n3)C2)cn1 ZINC001040330079 1231173616 /nfs/dbraw/zinc/17/36/16/1231173616.db2.gz ZOCSFGHYZGJVCZ-JLTOFOAXSA-N 1 2 349.438 2.372 20 30 EEEDLO CC(C)c1nsc(C[N@@H+]2CC[C@@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC001041136407 1231449863 /nfs/dbraw/zinc/44/98/63/1231449863.db2.gz KPWXEWFMUWSVGC-CXAGYDPISA-N 1 2 347.488 2.246 20 30 EEEDLO CC(C)c1nsc(C[N@H+]2CC[C@@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC001041136407 1231449865 /nfs/dbraw/zinc/44/98/65/1231449865.db2.gz KPWXEWFMUWSVGC-CXAGYDPISA-N 1 2 347.488 2.246 20 30 EEEDLO C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)c3[nH]nnc3-c3ccccc3)C2)C1 ZINC001041845619 1231728672 /nfs/dbraw/zinc/72/86/72/1231728672.db2.gz JXRFTHBMZKIIJL-HXUWFJFHSA-N 1 2 349.438 2.033 20 30 EEEDLO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3[nH]nnc3-c3ccccc3)C2)C1 ZINC001041845619 1231728675 /nfs/dbraw/zinc/72/86/75/1231728675.db2.gz JXRFTHBMZKIIJL-HXUWFJFHSA-N 1 2 349.438 2.033 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cn[nH]c3-c3ccccn3)C[C@H]21 ZINC001042089169 1231880313 /nfs/dbraw/zinc/88/03/13/1231880313.db2.gz VGMSDNWKLGTRAW-CRAIPNDOSA-N 1 2 349.438 2.031 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cn[nH]c3-c3ccccn3)C[C@H]21 ZINC001042089169 1231880317 /nfs/dbraw/zinc/88/03/17/1231880317.db2.gz VGMSDNWKLGTRAW-CRAIPNDOSA-N 1 2 349.438 2.031 20 30 EEEDLO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(-c4nnc[nH]4)c3)C[C@@H]21 ZINC001042183690 1231942238 /nfs/dbraw/zinc/94/22/38/1231942238.db2.gz QABBRCSGXZRUHP-YOEHRIQHSA-N 1 2 337.427 2.194 20 30 EEEDLO C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(-c4nnc[nH]4)c3)C[C@@H]21 ZINC001042183690 1231942239 /nfs/dbraw/zinc/94/22/39/1231942239.db2.gz QABBRCSGXZRUHP-YOEHRIQHSA-N 1 2 337.427 2.194 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3CC)[C@H]2C1 ZINC001042185528 1231944313 /nfs/dbraw/zinc/94/43/13/1231944313.db2.gz ULCGNMWWLMWCOP-CVEARBPZSA-N 1 2 345.491 2.323 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3CC)[C@H]2C1 ZINC001042185528 1231944314 /nfs/dbraw/zinc/94/43/14/1231944314.db2.gz ULCGNMWWLMWCOP-CVEARBPZSA-N 1 2 345.491 2.323 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3cnn(CC)n3)[C@H]2C1 ZINC001042185502 1231944413 /nfs/dbraw/zinc/94/44/13/1231944413.db2.gz TXHAGDHKTKXEED-RDJZCZTQSA-N 1 2 345.491 2.323 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3cnn(CC)n3)[C@H]2C1 ZINC001042185502 1231944415 /nfs/dbraw/zinc/94/44/15/1231944415.db2.gz TXHAGDHKTKXEED-RDJZCZTQSA-N 1 2 345.491 2.323 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](CCOc2ccc(C)cc2)C1 ZINC001043915723 1232623924 /nfs/dbraw/zinc/62/39/24/1232623924.db2.gz OBMIGYRXPZATIU-MOPGFXCFSA-N 1 2 344.455 2.108 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](CCOc3ccccc3C)C2)cn1 ZINC001044205552 1232786893 /nfs/dbraw/zinc/78/68/93/1232786893.db2.gz WZQYCWLMIYBOQZ-UHFFFAOYSA-N 1 2 349.434 2.207 20 30 EEEDLO Cc1nc(N(CCCNC(=O)C#CC2CC2)C2CC2)c(C)c(C)[nH+]1 ZINC001096031726 1233785736 /nfs/dbraw/zinc/78/57/36/1233785736.db2.gz YAAWXURRUGRVRB-UHFFFAOYSA-N 1 2 326.444 2.290 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CN(C(=O)[C@@H](C)C#N)CC3)n1 ZINC001045734680 1233937195 /nfs/dbraw/zinc/93/71/95/1233937195.db2.gz GLOXDYGSOMQKCH-UAGQMJEPSA-N 1 2 329.448 2.189 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2[C@@H]3CC[C@H]2CN(C(=O)[C@@H](C)C#N)CC3)n1 ZINC001045734680 1233937200 /nfs/dbraw/zinc/93/72/00/1233937200.db2.gz GLOXDYGSOMQKCH-UAGQMJEPSA-N 1 2 329.448 2.189 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@]2(CC[N@@H+](Cc3nncn3C)C2)C1 ZINC001045956624 1234226682 /nfs/dbraw/zinc/22/66/82/1234226682.db2.gz RARICVHOMLMQTJ-LJQANCHMSA-N 1 2 345.491 2.232 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@]2(CC[N@H+](Cc3nncn3C)C2)C1 ZINC001045956624 1234226683 /nfs/dbraw/zinc/22/66/83/1234226683.db2.gz RARICVHOMLMQTJ-LJQANCHMSA-N 1 2 345.491 2.232 20 30 EEEDLO Cc1ncoc1C(=O)N[C@]1(C)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046216014 1234564779 /nfs/dbraw/zinc/56/47/79/1234564779.db2.gz IKMWQFHPXPLVBU-LJQANCHMSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1ncoc1C(=O)N[C@]1(C)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046216014 1234564781 /nfs/dbraw/zinc/56/47/81/1234564781.db2.gz IKMWQFHPXPLVBU-LJQANCHMSA-N 1 2 341.386 2.368 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnc(OC(C)C)cn2)C1 ZINC001046314064 1234658234 /nfs/dbraw/zinc/65/82/34/1234658234.db2.gz AWKYGSQTEWFCAD-INIZCTEOSA-N 1 2 338.839 2.211 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnc(OC(C)C)cn2)C1 ZINC001046314064 1234658236 /nfs/dbraw/zinc/65/82/36/1234658236.db2.gz AWKYGSQTEWFCAD-INIZCTEOSA-N 1 2 338.839 2.211 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001067667423 1249387317 /nfs/dbraw/zinc/38/73/17/1249387317.db2.gz UXSLWHQLTUMCEY-GOSISDBHSA-N 1 2 334.464 2.252 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001067667423 1249387320 /nfs/dbraw/zinc/38/73/20/1249387320.db2.gz UXSLWHQLTUMCEY-GOSISDBHSA-N 1 2 334.464 2.252 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)c3ncc(C)o3)C2)c1 ZINC001046605636 1234988443 /nfs/dbraw/zinc/98/84/43/1234988443.db2.gz WDIGALZTFCVJKJ-KUHUBIRLSA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@H+]([C@H](C)c3ncc(C)o3)C2)c1 ZINC001046605636 1234988447 /nfs/dbraw/zinc/98/84/47/1234988447.db2.gz WDIGALZTFCVJKJ-KUHUBIRLSA-N 1 2 338.411 2.315 20 30 EEEDLO Cc1cnoc1C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046739764 1235133923 /nfs/dbraw/zinc/13/39/23/1235133923.db2.gz VMJYVTNUIYRGRU-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cnoc1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046739764 1235133925 /nfs/dbraw/zinc/13/39/25/1235133925.db2.gz VMJYVTNUIYRGRU-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001046994856 1235407395 /nfs/dbraw/zinc/40/73/95/1235407395.db2.gz HKWFPOXJUZOMGG-CYBMUJFWSA-N 1 2 349.385 2.221 20 30 EEEDLO C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001046994856 1235407398 /nfs/dbraw/zinc/40/73/98/1235407398.db2.gz HKWFPOXJUZOMGG-CYBMUJFWSA-N 1 2 349.385 2.221 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2csnn2)C3)C1 ZINC001047144373 1235579151 /nfs/dbraw/zinc/57/91/51/1235579151.db2.gz ZIAUIZKUICOFAF-YDHLFZDLSA-N 1 2 332.473 2.364 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2csnn2)C3)C1 ZINC001047144373 1235579159 /nfs/dbraw/zinc/57/91/59/1235579159.db2.gz ZIAUIZKUICOFAF-YDHLFZDLSA-N 1 2 332.473 2.364 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H](C2CC[NH+](Cc3csnn3)CC2)C1 ZINC001047232589 1235711034 /nfs/dbraw/zinc/71/10/34/1235711034.db2.gz VGTWCSYYYZYXEA-HIFRSBDPSA-N 1 2 347.488 2.148 20 30 EEEDLO C[C@@H](CC(=O)N1CCC[C@H](C2CCN(CC#N)CC2)C1)n1cc[nH+]c1 ZINC001047257704 1235762833 /nfs/dbraw/zinc/76/28/33/1235762833.db2.gz 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N#Cc1c(F)cccc1N1CC[NH+](CCNC(=O)C2CCCC2)CC1 ZINC001096261975 1236772381 /nfs/dbraw/zinc/77/23/81/1236772381.db2.gz RDIONTUXUCYCKL-UHFFFAOYSA-N 1 2 344.434 2.126 20 30 EEEDLO CC[C@H](C)CC(=O)NCC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC001096279786 1237051145 /nfs/dbraw/zinc/05/11/45/1237051145.db2.gz HKEOIFLWAKFUPY-HNNXBMFYSA-N 1 2 346.450 2.372 20 30 EEEDLO C=C(C)CCC(=O)NCC[NH+]1CCN(c2cc(C(C)C)ncn2)CC1 ZINC001096288528 1237132112 /nfs/dbraw/zinc/13/21/12/1237132112.db2.gz OBIBHLNEEJGSMK-UHFFFAOYSA-N 1 2 345.491 2.195 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC[NH+]1CCN(c2cccc(F)n2)CC1 ZINC001096303701 1237250200 /nfs/dbraw/zinc/25/02/00/1237250200.db2.gz NCPGRHBISLGFBV-SFHVURJKSA-N 1 2 334.439 2.061 20 30 EEEDLO Cc1nc(N2CCC[C@H](C3CCN(C(=O)[C@H](C)C#N)CC3)C2)cc[nH+]1 ZINC001067820865 1249699369 /nfs/dbraw/zinc/69/93/69/1249699369.db2.gz HEKNGNKTKVIKRT-PBHICJAKSA-N 1 2 341.459 2.400 20 30 EEEDLO C#CCCCCCC(=O)N(C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001067853225 1239372731 /nfs/dbraw/zinc/37/27/31/1239372731.db2.gz QUWHSHJAVGXPSW-UHFFFAOYSA-N 1 2 346.475 2.164 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001056536875 1239434189 /nfs/dbraw/zinc/43/41/89/1239434189.db2.gz BTPTWAFBZDGFIU-IAGOWNOFSA-N 1 2 344.459 2.291 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001056536875 1239434191 /nfs/dbraw/zinc/43/41/91/1239434191.db2.gz BTPTWAFBZDGFIU-IAGOWNOFSA-N 1 2 344.459 2.291 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H]([NH2+]Cc3nc(COC)no3)C2)CC1 ZINC001000078980 1239907269 /nfs/dbraw/zinc/90/72/69/1239907269.db2.gz SLHSAIJHTXVBOQ-OAHLLOKOSA-N 1 2 348.447 2.043 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([NH2+]Cc3nc(C4CC4)no3)C2)C1 ZINC001000128028 1239974616 /nfs/dbraw/zinc/97/46/16/1239974616.db2.gz JVGIMANXMCMBJL-CQSZACIVSA-N 1 2 330.432 2.384 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCO1 ZINC001049308739 1240507643 /nfs/dbraw/zinc/50/76/43/1240507643.db2.gz SCERBWVPFLTHPF-BFHYXJOUSA-N 1 2 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331.504 2.199 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(C)(C)C3CCCC3)C2)CC1 ZINC001052037663 1246406599 /nfs/dbraw/zinc/40/65/99/1246406599.db2.gz OYRGMXUGFGXPQM-GOSISDBHSA-N 1 2 331.504 2.055 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCC34CC4)C2)CC1 ZINC001052043071 1246412577 /nfs/dbraw/zinc/41/25/77/1246412577.db2.gz NZDKEONZAHURNJ-QZTJIDSGSA-N 1 2 331.504 2.361 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc3nc(C)ccc3o1)CCO2 ZINC001053514228 1246418354 /nfs/dbraw/zinc/41/83/54/1246418354.db2.gz QBVMTGDRLSSQJN-UHFFFAOYSA-N 1 2 341.411 2.239 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC34CCC4)C2)CC1 ZINC001052087342 1246467030 /nfs/dbraw/zinc/46/70/30/1246467030.db2.gz SVJJCGNFHHUFEH-JKSUJKDBSA-N 1 2 337.895 2.148 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](F)CC3CCCCC3)C2)CC1 ZINC001052108737 1246488747 /nfs/dbraw/zinc/48/87/47/1246488747.db2.gz QGQJDMQIWMWXLU-MOPGFXCFSA-N 1 2 349.494 2.147 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC2(C[NH+](CC(=C)C)C2)O1 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C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)c1ccc(C)cc1)CO2 ZINC001053986808 1247110178 /nfs/dbraw/zinc/11/01/78/1247110178.db2.gz UVYDWURRCGUTMN-SFHVURJKSA-N 1 2 340.467 2.255 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)c1ccc(F)cc1)CO2 ZINC001053986888 1247110530 /nfs/dbraw/zinc/11/05/30/1247110530.db2.gz XFOAASXMDIJASR-QGZVFWFLSA-N 1 2 344.430 2.086 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3c(c1)CCCC3)CO2 ZINC001053999563 1247131143 /nfs/dbraw/zinc/13/11/43/1247131143.db2.gz INQXLMPRIRXLCU-LJQANCHMSA-N 1 2 338.451 2.162 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cn2c(n1)CCC2 ZINC001054041055 1247201347 /nfs/dbraw/zinc/20/13/47/1247201347.db2.gz FFCNCRHLSDDFBN-SFHVURJKSA-N 1 2 348.450 2.009 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cn2c(n1)CCC2 ZINC001054041055 1247201357 /nfs/dbraw/zinc/20/13/57/1247201357.db2.gz FFCNCRHLSDDFBN-SFHVURJKSA-N 1 2 348.450 2.009 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccnn1CCC ZINC001054043065 1247209948 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/nfs/dbraw/zinc/97/03/24/1314970324.db2.gz KLSZZQSPAOVHRI-MRXNPFEDSA-N 1 2 347.846 2.425 20 30 EEEDLO C#Cc1cccc(CNC(=O)[C@@H](C(CC)CC)[NH+]2CCOCC2)c1 ZINC000837105714 1315053349 /nfs/dbraw/zinc/05/33/49/1315053349.db2.gz RQNGYIMEIQFYBI-LJQANCHMSA-N 1 2 328.456 2.421 20 30 EEEDLO C=C(C)C[N@@H+](Cc1ccccc1)CN1CC2(CCOCC2)[C@H](O)C1=O ZINC000840059594 1315285337 /nfs/dbraw/zinc/28/53/37/1315285337.db2.gz AJHKSJZMIFZEMV-GOSISDBHSA-N 1 2 344.455 2.022 20 30 EEEDLO C=C(C)C[N@H+](Cc1ccccc1)CN1CC2(CCOCC2)[C@H](O)C1=O ZINC000840059594 1315285344 /nfs/dbraw/zinc/28/53/44/1315285344.db2.gz AJHKSJZMIFZEMV-GOSISDBHSA-N 1 2 344.455 2.022 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000842895641 1315794606 /nfs/dbraw/zinc/79/46/06/1315794606.db2.gz OCNHUXJAFJTSDN-CVEARBPZSA-N 1 2 331.416 2.028 20 30 EEEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2scc3c2OCCO3)CC1 ZINC001143191251 1315884342 /nfs/dbraw/zinc/88/43/42/1315884342.db2.gz YJXLODCYAIUDOK-UHFFFAOYSA-N 1 2 336.413 2.188 20 30 EEEDLO C=CC[C@@H](Cc1ccccc1)C(=O)NCC[NH2+]Cc1nonc1C ZINC001151923323 1316609470 /nfs/dbraw/zinc/60/94/70/1316609470.db2.gz VWURXPSFVCPRLU-INIZCTEOSA-N 1 2 328.416 2.019 20 30 EEEDLO C=C[C@H](C(=O)NCC[NH2+]Cc1nc(C(F)F)no1)c1ccccc1 ZINC001151989885 1316616872 /nfs/dbraw/zinc/61/68/72/1316616872.db2.gz APYYDBICRWAVBJ-LBPRGKRZSA-N 1 2 336.342 2.183 20 30 EEEDLO C=C[C@H](C(=O)NCC[NH2+]Cc1nc(CC2CC2)no1)c1ccccc1 ZINC001151997426 1316618667 /nfs/dbraw/zinc/61/86/67/1316618667.db2.gz GLRCGMDMGGITEE-INIZCTEOSA-N 1 2 340.427 2.198 20 30 EEEDLO CC[N@H+](Cc1nnc(-c2occc2C)o1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152414317 1316669011 /nfs/dbraw/zinc/66/90/11/1316669011.db2.gz ZWCDHXLFCLFLLE-QWHCGFSZSA-N 1 2 345.403 2.124 20 30 EEEDLO CC[N@@H+](Cc1nnc(-c2occc2C)o1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152414317 1316669014 /nfs/dbraw/zinc/66/90/14/1316669014.db2.gz ZWCDHXLFCLFLLE-QWHCGFSZSA-N 1 2 345.403 2.124 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC1(F)F ZINC001153186568 1316787858 /nfs/dbraw/zinc/78/78/58/1316787858.db2.gz BYYFKASZENANDU-NXEZZACHSA-N 1 2 325.197 2.377 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC1(F)F ZINC001153186568 1316787860 /nfs/dbraw/zinc/78/78/60/1316787860.db2.gz BYYFKASZENANDU-NXEZZACHSA-N 1 2 325.197 2.377 20 30 EEEDLO C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4ccccc4C#N)nc3c2)CC1 ZINC001250489275 1317263144 /nfs/dbraw/zinc/26/31/44/1317263144.db2.gz GIAKUUTZGOZICW-UHFFFAOYSA-N 1 2 345.406 2.489 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC001251985168 1317533621 /nfs/dbraw/zinc/53/36/21/1317533621.db2.gz GMYRDTQBPGLGDL-QZTJIDSGSA-N 1 2 342.443 2.133 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC001251985168 1317533625 /nfs/dbraw/zinc/53/36/25/1317533625.db2.gz GMYRDTQBPGLGDL-QZTJIDSGSA-N 1 2 342.443 2.133 20 30 EEEDLO C=CCOC[C@@H](O)C[NH2+][C@H](C(=O)OC(C)(C)C)C1CCCCC1 ZINC001252485299 1317614113 /nfs/dbraw/zinc/61/41/13/1317614113.db2.gz CALYRNBLQKTUSV-HOTGVXAUSA-N 1 2 327.465 2.430 20 30 EEEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1ncccn1 ZINC001155950755 1317799237 /nfs/dbraw/zinc/79/92/37/1317799237.db2.gz PLWUZSGRARWYKS-CYBMUJFWSA-N 1 2 341.390 2.128 20 30 EEEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1ncccn1 ZINC001155950755 1317799241 /nfs/dbraw/zinc/79/92/41/1317799241.db2.gz PLWUZSGRARWYKS-CYBMUJFWSA-N 1 2 341.390 2.128 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@]1(C)CCOC1 ZINC001156036411 1317844334 /nfs/dbraw/zinc/84/43/34/1317844334.db2.gz UPSWSUFAXOSYQH-OCCSQVGLSA-N 1 2 333.270 2.148 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@]1(C)CCOC1 ZINC001156036411 1317844338 /nfs/dbraw/zinc/84/43/38/1317844338.db2.gz UPSWSUFAXOSYQH-OCCSQVGLSA-N 1 2 333.270 2.148 20 30 EEEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1nc(Cl)c2cccc(F)c2n1 ZINC001156321313 1317963592 /nfs/dbraw/zinc/96/35/92/1317963592.db2.gz YVQHIYHUACWHAR-QMMMGPOBSA-N 1 2 341.724 2.269 20 30 EEEDLO N#C[C@H]1C[NH2+]CCN1c1ccc2ccn(C(=O)c3ccccc3)c2n1 ZINC001156327778 1317966381 /nfs/dbraw/zinc/96/63/81/1317966381.db2.gz LLUWCTHBEZPFHN-INIZCTEOSA-N 1 2 331.379 2.027 20 30 EEEDLO N#CCCN1CC[NH+]([C@@H]2Cc3ccc(Br)cc3C2)CC1 ZINC001254282736 1318033815 /nfs/dbraw/zinc/03/38/15/1318033815.db2.gz YWRXDQOTUOPLDD-MRXNPFEDSA-N 1 2 334.261 2.448 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C2CC2)o1 ZINC001157217400 1318494570 /nfs/dbraw/zinc/49/45/70/1318494570.db2.gz PMFLJGXAIARBSM-ZIAGYGMSSA-N 1 2 335.448 2.470 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C2CC2)o1 ZINC001157217400 1318494581 /nfs/dbraw/zinc/49/45/81/1318494581.db2.gz PMFLJGXAIARBSM-ZIAGYGMSSA-N 1 2 335.448 2.470 20 30 EEEDLO N#CCc1cc[nH+]c(N2CCC[C@H](Oc3ccc(C(N)=O)cc3)C2)c1 ZINC001158455358 1319247823 /nfs/dbraw/zinc/24/78/23/1319247823.db2.gz BQVQSXMRDGEHSB-KRWDZBQOSA-N 1 2 336.395 2.294 20 30 EEEDLO C=CCC[C@H](C)[N@@H+]1CC(=O)NC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001258725732 1319328515 /nfs/dbraw/zinc/32/85/15/1319328515.db2.gz MQZSRZQYZSQOAS-KSSFIOAISA-N 1 2 337.464 2.153 20 30 EEEDLO C=CCC[C@H](C)[N@H+]1CC(=O)NC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001258725732 1319328521 /nfs/dbraw/zinc/32/85/21/1319328521.db2.gz MQZSRZQYZSQOAS-KSSFIOAISA-N 1 2 337.464 2.153 20 30 EEEDLO Cc1nnc([C@@H](C)[N@@H+]2CC=C(CCNC(=O)[C@H](C)C#N)CC2)s1 ZINC001159586903 1319902241 /nfs/dbraw/zinc/90/22/41/1319902241.db2.gz DVEKJQNYZNRVLG-VXGBXAGGSA-N 1 2 333.461 2.206 20 30 EEEDLO Cc1nnc([C@@H](C)[N@H+]2CC=C(CCNC(=O)[C@H](C)C#N)CC2)s1 ZINC001159586903 1319902249 /nfs/dbraw/zinc/90/22/49/1319902249.db2.gz DVEKJQNYZNRVLG-VXGBXAGGSA-N 1 2 333.461 2.206 20 30 EEEDLO C#CCCCCC(=O)NCCC1=CC[N@H+](Cc2cnns2)CC1 ZINC001159859963 1320006498 /nfs/dbraw/zinc/00/64/98/1320006498.db2.gz YWTXIKWZTISTDM-UHFFFAOYSA-N 1 2 332.473 2.370 20 30 EEEDLO C#CCCCCC(=O)NCCC1=CC[N@@H+](Cc2cnns2)CC1 ZINC001159859963 1320006500 /nfs/dbraw/zinc/00/65/00/1320006500.db2.gz YWTXIKWZTISTDM-UHFFFAOYSA-N 1 2 332.473 2.370 20 30 EEEDLO Cc1nnc([C@H](C)[N@H+]2CC=C(CCNC(=O)C#CC3CC3)CC2)s1 ZINC001160081799 1320065946 /nfs/dbraw/zinc/06/59/46/1320065946.db2.gz VTRVWGMGGRMMED-ZDUSSCGKSA-N 1 2 344.484 2.459 20 30 EEEDLO Cc1nnc([C@H](C)[N@@H+]2CC=C(CCNC(=O)C#CC3CC3)CC2)s1 ZINC001160081799 1320065951 /nfs/dbraw/zinc/06/59/51/1320065951.db2.gz VTRVWGMGGRMMED-ZDUSSCGKSA-N 1 2 344.484 2.459 20 30 EEEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2cn(CC)nn2)CC1 ZINC001160888326 1320306043 /nfs/dbraw/zinc/30/60/43/1320306043.db2.gz OBBRFCXTQOKHMQ-UHFFFAOYSA-N 1 2 331.464 2.149 20 30 EEEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2cn(CC)nn2)CC1 ZINC001160888326 1320306046 /nfs/dbraw/zinc/30/60/46/1320306046.db2.gz OBBRFCXTQOKHMQ-UHFFFAOYSA-N 1 2 331.464 2.149 20 30 EEEDLO CC#CC[NH+]1CCN(Cc2ccc(CNC(=O)CC3CC3)cc2)CC1 ZINC001163013352 1321014264 /nfs/dbraw/zinc/01/42/64/1321014264.db2.gz LXUNSVJGQBLXBU-UHFFFAOYSA-N 1 2 339.483 2.244 20 30 EEEDLO CC#CC[NH+]1CCN(Cc2ccc(CNC(=O)C(C)C)cc2)CC1 ZINC001163024824 1321018476 /nfs/dbraw/zinc/01/84/76/1321018476.db2.gz VXRSMMQKOONBGA-UHFFFAOYSA-N 1 2 327.472 2.100 20 30 EEEDLO CC#CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H](F)CC)cc2)CC1 ZINC001163029601 1321019725 /nfs/dbraw/zinc/01/97/25/1321019725.db2.gz DCTHFVSTQIQHHE-IBGZPJMESA-N 1 2 345.462 2.192 20 30 EEEDLO Cc1ccc([C@H](C#N)c2ccc(N3CC[NH2+]CC(F)(F)C3)nn2)cc1 ZINC001164488838 1321394682 /nfs/dbraw/zinc/39/46/82/1321394682.db2.gz MZFGOQULFKRFKR-HNNXBMFYSA-N 1 2 343.381 2.485 20 30 EEEDLO C[C@H]1CCCCN1c1nc2ccccc2nc1N1CC[NH2+]C[C@H]1C#N ZINC001164661767 1321442927 /nfs/dbraw/zinc/44/29/27/1321442927.db2.gz NPUUQYRBDTZIMD-LSDHHAIUSA-N 1 2 336.443 2.310 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@H]3C)n2Cc2ccccc2)CC1 ZINC001263151869 1322438733 /nfs/dbraw/zinc/43/87/33/1322438733.db2.gz OJACFQWMCBSZIP-AEFFLSMTSA-N 1 2 335.455 2.205 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(-c3c(F)cccc3F)no2)C1 ZINC001263916119 1322554129 /nfs/dbraw/zinc/55/41/29/1322554129.db2.gz FAKYJMVQGCTRFG-GFCCVEGCSA-N 1 2 345.349 2.447 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(-c3c(F)cccc3F)no2)C1 ZINC001263916119 1322554131 /nfs/dbraw/zinc/55/41/31/1322554131.db2.gz FAKYJMVQGCTRFG-GFCCVEGCSA-N 1 2 345.349 2.447 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2csc(-c3ccoc3)n2)C[C@H]1C ZINC001206659768 1323555282 /nfs/dbraw/zinc/55/52/82/1323555282.db2.gz QKUPHFSLSDSTHN-LALPHHSUSA-N 1 2 344.440 2.499 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2csc(-c3ccoc3)n2)C[C@H]1C ZINC001206659768 1323555287 /nfs/dbraw/zinc/55/52/87/1323555287.db2.gz QKUPHFSLSDSTHN-LALPHHSUSA-N 1 2 344.440 2.499 20 30 EEEDLO Cc1ccc(C#N)c(NC(=O)[C@@H]2CC23C[NH+](Cc2cncc(C)n2)C3)c1 ZINC001279925891 1324032774 /nfs/dbraw/zinc/03/27/74/1324032774.db2.gz YNJROIZJCHHJLS-KRWDZBQOSA-N 1 2 347.422 2.426 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H]([NH2+]Cc2nnc([C@@H]3CCCOC3)o2)C1 ZINC001207654012 1324071178 /nfs/dbraw/zinc/07/11/78/1324071178.db2.gz MYNBBDMSYGPMIQ-CABCVRRESA-N 1 2 348.447 2.010 20 30 EEEDLO C=CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N1CCC[C@@H](C)C1 ZINC001316602478 1324139119 /nfs/dbraw/zinc/13/91/19/1324139119.db2.gz AJUWLAGBLTUGGC-IAGOWNOFSA-N 1 2 335.492 2.134 20 30 EEEDLO C=CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N1CCC[C@@H](C)C1 ZINC001316602478 1324139122 /nfs/dbraw/zinc/13/91/22/1324139122.db2.gz AJUWLAGBLTUGGC-IAGOWNOFSA-N 1 2 335.492 2.134 20 30 EEEDLO C#CCCCCC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(C)C)o2)C1 ZINC001207860058 1324184424 /nfs/dbraw/zinc/18/44/24/1324184424.db2.gz FVONMYULNZVRFL-OAHLLOKOSA-N 1 2 332.448 2.467 20 30 EEEDLO CC#CCCCC(=O)N1CCC[C@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001209112866 1324804959 /nfs/dbraw/zinc/80/49/59/1324804959.db2.gz WTTASBCPYSZWFH-HNNXBMFYSA-N 1 2 330.432 2.221 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2nc([C@H](C)OC)no2)C1 ZINC001209335779 1324904879 /nfs/dbraw/zinc/90/48/79/1324904879.db2.gz ROYLTEMPKRZDOE-UONOGXRCSA-N 1 2 336.436 2.214 20 30 EEEDLO C=CC[NH+](CC=C)Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC001308647755 1331600707 /nfs/dbraw/zinc/60/07/07/1331600707.db2.gz UMQSXZVJLVKHHU-UHFFFAOYSA-N 1 2 336.395 2.380 20 30 EEEDLO C[N@H+](CCNC(=O)c1ncoc1C1CC1)Cc1cc(C#N)ccc1F ZINC001492484763 1332699931 /nfs/dbraw/zinc/69/99/31/1332699931.db2.gz YKRLPIMDAFXDMP-UHFFFAOYSA-N 1 2 342.374 2.425 20 30 EEEDLO C[N@@H+](CCNC(=O)c1ncoc1C1CC1)Cc1cc(C#N)ccc1F ZINC001492484763 1332699933 /nfs/dbraw/zinc/69/99/33/1332699933.db2.gz YKRLPIMDAFXDMP-UHFFFAOYSA-N 1 2 342.374 2.425 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1ncc2ccccn21 ZINC001320018294 1332811292 /nfs/dbraw/zinc/81/12/92/1332811292.db2.gz GJLFKXHXWQJUQP-UHFFFAOYSA-N 1 2 347.422 2.410 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1ncc2ccccn21 ZINC001320018294 1332811294 /nfs/dbraw/zinc/81/12/94/1332811294.db2.gz GJLFKXHXWQJUQP-UHFFFAOYSA-N 1 2 347.422 2.410 20 30 EEEDLO Cc1cc(C[N@@H+]2CCCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)no1 ZINC001330550147 1334868849 /nfs/dbraw/zinc/86/88/49/1334868849.db2.gz OGKOLTOJXPCEQQ-UHFFFAOYSA-N 1 2 341.371 2.475 20 30 EEEDLO Cc1cc(C[N@H+]2CCCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)no1 ZINC001330550147 1334868852 /nfs/dbraw/zinc/86/88/52/1334868852.db2.gz OGKOLTOJXPCEQQ-UHFFFAOYSA-N 1 2 341.371 2.475 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC001335885968 1336442638 /nfs/dbraw/zinc/44/26/38/1336442638.db2.gz UKXVCBDYHQQMBH-HNNXBMFYSA-N 1 2 349.406 2.070 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H]1CSC ZINC001339091600 1336957826 /nfs/dbraw/zinc/95/78/26/1336957826.db2.gz YZBWDEIGYHWJAP-ZDUSSCGKSA-N 1 2 332.477 2.120 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001340194398 1337135646 /nfs/dbraw/zinc/13/56/46/1337135646.db2.gz AUXFYAZZEHMYEH-VQHPVUNQSA-N 1 2 343.475 2.236 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001340194398 1337135647 /nfs/dbraw/zinc/13/56/47/1337135647.db2.gz AUXFYAZZEHMYEH-VQHPVUNQSA-N 1 2 343.475 2.236 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC001340297594 1337154123 /nfs/dbraw/zinc/15/41/23/1337154123.db2.gz PEQOWNFZAHOXJH-WBVHZDCISA-N 1 2 345.491 2.454 20 30 EEEDLO N#Cc1ccc(C[NH2+]C2CC(CNC(=O)C(F)C(F)(F)F)C2)cc1 ZINC001100348695 1338293574 /nfs/dbraw/zinc/29/35/74/1338293574.db2.gz ASRZHLVUILKCEF-RUXDESIVSA-N 1 2 343.324 2.443 20 30 EEEDLO N#Cc1ccc(C[NH2+]C2CC(CNC(=O)[C@H](F)C(F)(F)F)C2)cc1 ZINC001100348695 1338293578 /nfs/dbraw/zinc/29/35/78/1338293578.db2.gz ASRZHLVUILKCEF-RUXDESIVSA-N 1 2 343.324 2.443 20 30 EEEDLO C=CCOc1ccccc1C[NH2+]Cc1nc(-c2nn[nH]n2)cs1 ZINC001588688364 1348929173 /nfs/dbraw/zinc/92/91/73/1348929173.db2.gz DOXGJUBXQQMPCL-UHFFFAOYSA-N 1 2 328.401 2.178 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001660844752 1354549607 /nfs/dbraw/zinc/54/96/07/1354549607.db2.gz MOXOBJSXSJLKFY-CQSZACIVSA-N 1 2 349.862 2.145 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001660844752 1354549611 /nfs/dbraw/zinc/54/96/11/1354549611.db2.gz MOXOBJSXSJLKFY-CQSZACIVSA-N 1 2 349.862 2.145 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C(F)C(F)(F)F)C2)cc1 ZINC001388679100 1387637379 /nfs/dbraw/zinc/63/73/79/1387637379.db2.gz ASRZHLVUILKCEF-HZSPNIEDSA-N 1 2 343.324 2.443 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)C2)cc1 ZINC001388679100 1387637385 /nfs/dbraw/zinc/63/73/85/1387637385.db2.gz ASRZHLVUILKCEF-HZSPNIEDSA-N 1 2 343.324 2.443 20 30 EEEDLO CCO[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001194957215 1368499204 /nfs/dbraw/zinc/49/92/04/1368499204.db2.gz ZHFBUOISZUYOBI-CQSZACIVSA-N 1 2 333.407 2.157 20 30 EEEDLO CCO[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001194957215 1368499205 /nfs/dbraw/zinc/49/92/05/1368499205.db2.gz ZHFBUOISZUYOBI-CQSZACIVSA-N 1 2 333.407 2.157 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(F)C(F)(F)F)s1 ZINC001114308684 1368500780 /nfs/dbraw/zinc/50/07/80/1368500780.db2.gz KXAIMMACHURGMU-NOOOWODRSA-N 1 2 347.337 2.067 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(F)C(F)(F)F)s1 ZINC001114308684 1368500787 /nfs/dbraw/zinc/50/07/87/1368500787.db2.gz KXAIMMACHURGMU-NOOOWODRSA-N 1 2 347.337 2.067 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)[C@H](C)COC ZINC000852357273 1369265362 /nfs/dbraw/zinc/26/53/62/1369265362.db2.gz ZMXAXSFFDCXLNO-CQSZACIVSA-N 1 2 345.443 2.040 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)[C@H](C)COC ZINC000852357273 1369265367 /nfs/dbraw/zinc/26/53/67/1369265367.db2.gz ZMXAXSFFDCXLNO-CQSZACIVSA-N 1 2 345.443 2.040 20 30 EEEDLO C#CCCN(CCOC)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000853504599 1369340629 /nfs/dbraw/zinc/34/06/29/1369340629.db2.gz UURXFJMRVVXBFA-UHFFFAOYSA-N 1 2 326.400 2.054 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)C(F)F)C[N@H+]1Cc1ccc(C#N)cc1F ZINC001071289999 1370458215 /nfs/dbraw/zinc/45/82/15/1370458215.db2.gz ZSWJNEHEZRKSRK-MFKMUULPSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)C(F)F)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC001071289999 1370458214 /nfs/dbraw/zinc/45/82/14/1370458214.db2.gz ZSWJNEHEZRKSRK-MFKMUULPSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2cocn2)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001071388479 1370496234 /nfs/dbraw/zinc/49/62/34/1370496234.db2.gz GZIQWHIQWAOQLY-SWLSCSKDSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2cocn2)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001071388479 1370496238 /nfs/dbraw/zinc/49/62/38/1370496238.db2.gz GZIQWHIQWAOQLY-SWLSCSKDSA-N 1 2 342.374 2.468 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](C)C1 ZINC001072226035 1370649515 /nfs/dbraw/zinc/64/95/15/1370649515.db2.gz KKXMGJHOIZUOEA-HOCLYGCPSA-N 1 2 346.475 2.246 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NC[C@H](C)CNc3ccc(C#N)nc3)ccn12 ZINC001104086171 1371125718 /nfs/dbraw/zinc/12/57/18/1371125718.db2.gz AEAYZZAXDXBDFO-CYBMUJFWSA-N 1 2 348.410 2.387 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NC[C@H](C)CNc3ccc(C#N)cn3)ccn12 ZINC001104086919 1371127104 /nfs/dbraw/zinc/12/71/04/1371127104.db2.gz SBFRNLHJCFAXRQ-CYBMUJFWSA-N 1 2 348.410 2.387 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1COCCN1c1cc(CC)[nH+]c(C)n1 ZINC001111704821 1371221698 /nfs/dbraw/zinc/22/16/98/1371221698.db2.gz GLUFVWPRSSQSAM-INIZCTEOSA-N 1 2 332.448 2.025 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001112374329 1371420521 /nfs/dbraw/zinc/42/05/21/1371420521.db2.gz GSTYHTLOEVROHF-MRXNPFEDSA-N 1 2 346.475 2.326 20 30 EEEDLO C[C@H](CCCNc1ccc(C#N)cn1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001115099607 1371520170 /nfs/dbraw/zinc/52/01/70/1371520170.db2.gz CZUXZMKXTMWORX-ZIAGYGMSSA-N 1 2 340.431 2.252 20 30 EEEDLO C[C@H](CCCNc1ccc(C#N)cn1)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001115099607 1371520172 /nfs/dbraw/zinc/52/01/72/1371520172.db2.gz CZUXZMKXTMWORX-ZIAGYGMSSA-N 1 2 340.431 2.252 20 30 EEEDLO Cc1nc(N[C@H](C)CN(C)C(=O)CCCn2cc[nH+]c2)ccc1C#N ZINC001115762074 1371704170 /nfs/dbraw/zinc/70/41/70/1371704170.db2.gz MPSIBUIKXRGLEB-CQSZACIVSA-N 1 2 340.431 2.197 20 30 EEEDLO CCOc1ccccc1OCC[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC000831691855 1372387624 /nfs/dbraw/zinc/38/76/24/1372387624.db2.gz XYBPHIRSHWSNQU-UHFFFAOYSA-N 1 2 332.400 2.243 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc(C)cc1O ZINC001140952607 1372725914 /nfs/dbraw/zinc/72/59/14/1372725914.db2.gz ZAFROALURFHZRR-MRXNPFEDSA-N 1 2 328.416 2.131 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc(C)cc1O ZINC001140952607 1372725922 /nfs/dbraw/zinc/72/59/22/1372725922.db2.gz ZAFROALURFHZRR-MRXNPFEDSA-N 1 2 328.416 2.131 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@H](C)[C@H]1C ZINC001356380909 1373198087 /nfs/dbraw/zinc/19/80/87/1373198087.db2.gz IJYUXQCIOMBYFC-JKSUJKDBSA-N 1 2 347.507 2.293 20 30 EEEDLO CCOC(=O)[C@@H]1C2CCC(CC2)[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001365301309 1373695773 /nfs/dbraw/zinc/69/57/73/1373695773.db2.gz XLSXNGXGDQZUSY-SYNTWQANSA-N 1 2 328.412 2.398 20 30 EEEDLO CCOC(=O)[C@@H]1C2CCC(CC2)[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001365301309 1373695775 /nfs/dbraw/zinc/69/57/75/1373695775.db2.gz XLSXNGXGDQZUSY-SYNTWQANSA-N 1 2 328.412 2.398 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@H]1NC(=O)c2ccccc21 ZINC001367543807 1374204278 /nfs/dbraw/zinc/20/42/78/1374204278.db2.gz SBOHLXFVWHXBFB-OAHLLOKOSA-N 1 2 335.835 2.004 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@H]1NC(=O)c2ccccc21 ZINC001367543807 1374204283 /nfs/dbraw/zinc/20/42/83/1374204283.db2.gz SBOHLXFVWHXBFB-OAHLLOKOSA-N 1 2 335.835 2.004 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)COC3CCCC3)C2)c1 ZINC001369955675 1374734441 /nfs/dbraw/zinc/73/44/41/1374734441.db2.gz GBFMZSLHBXDLKD-INIZCTEOSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)COC3CCCC3)C2)c1 ZINC001369955675 1374734442 /nfs/dbraw/zinc/73/44/42/1374734442.db2.gz GBFMZSLHBXDLKD-INIZCTEOSA-N 1 2 345.418 2.347 20 30 EEEDLO C[C@H](OCC1CC1)C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001373495644 1376533439 /nfs/dbraw/zinc/53/34/39/1376533439.db2.gz ZYYSOYDIZHRJFX-ZDUSSCGKSA-N 1 2 345.418 2.060 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)CC[C@H]3CCCO3)C2)c(F)c1 ZINC001373498065 1376535605 /nfs/dbraw/zinc/53/56/05/1376535605.db2.gz OLOXEFOBUYCZBE-QGZVFWFLSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)COCC3CC3)C2)ccc1F ZINC001376035636 1378249298 /nfs/dbraw/zinc/24/92/98/1378249298.db2.gz ZCZIJSOETFEQNN-KRWDZBQOSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)COCC3CC3)C2)ccc1F ZINC001376035636 1378249300 /nfs/dbraw/zinc/24/93/00/1378249300.db2.gz ZCZIJSOETFEQNN-KRWDZBQOSA-N 1 2 345.418 2.205 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)Cc1cscn1 ZINC001379112448 1380530463 /nfs/dbraw/zinc/53/04/63/1380530463.db2.gz ZUOGEMUWYITMEU-UHFFFAOYSA-N 1 2 328.441 2.148 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)Cc1cscn1 ZINC001379112448 1380530464 /nfs/dbraw/zinc/53/04/64/1380530464.db2.gz ZUOGEMUWYITMEU-UHFFFAOYSA-N 1 2 328.441 2.148 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CNC(=O)c2ccccc2)[C@@H]1C ZINC001379644404 1380794371 /nfs/dbraw/zinc/79/43/71/1380794371.db2.gz AVNQXGUDDYLOKM-HOCLYGCPSA-N 1 2 349.862 2.138 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)c2ccccc2)[C@@H]1C ZINC001379644404 1380794374 /nfs/dbraw/zinc/79/43/74/1380794374.db2.gz AVNQXGUDDYLOKM-HOCLYGCPSA-N 1 2 349.862 2.138 20 30 EEEDLO Cc1nc([C@@H](C)[NH2+]C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C)no1 ZINC001380062009 1381031026 /nfs/dbraw/zinc/03/10/26/1381031026.db2.gz OPEALANACALFBF-QMTHXVAHSA-N 1 2 344.419 2.073 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1nocc1C ZINC001380982629 1381480034 /nfs/dbraw/zinc/48/00/34/1381480034.db2.gz JQYKCWDOOSINSQ-UHFFFAOYSA-N 1 2 330.226 2.286 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1nocc1C ZINC001380982629 1381480037 /nfs/dbraw/zinc/48/00/37/1381480037.db2.gz JQYKCWDOOSINSQ-UHFFFAOYSA-N 1 2 330.226 2.286 20 30 EEEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)C3=CCCC3)CC2)cc1 ZINC001381085065 1381505678 /nfs/dbraw/zinc/50/56/78/1381505678.db2.gz RUEMCPWRNGZFIL-UHFFFAOYSA-N 1 2 325.412 2.343 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1cccc(OCC)n1 ZINC001381559677 1381653426 /nfs/dbraw/zinc/65/34/26/1381653426.db2.gz UKZHWGPJQGQGFT-CYBMUJFWSA-N 1 2 325.840 2.212 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1cccc(OCC)n1 ZINC001381559677 1381653430 /nfs/dbraw/zinc/65/34/30/1381653430.db2.gz UKZHWGPJQGQGFT-CYBMUJFWSA-N 1 2 325.840 2.212 20 30 EEEDLO C#CCN1CC[NH+](CCNC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC001752374282 1406288528 /nfs/dbraw/zinc/28/85/28/1406288528.db2.gz CGIZKFNIWFJYPE-ZWKOTPCHSA-N 1 2 333.520 2.206 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cn(CC)nn2)C1 ZINC001752787740 1406408392 /nfs/dbraw/zinc/40/83/92/1406408392.db2.gz TTYUTHZCAKDDLW-OAHLLOKOSA-N 1 2 333.480 2.229 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cn(CC)nn2)C1 ZINC001752787740 1406408397 /nfs/dbraw/zinc/40/83/97/1406408397.db2.gz TTYUTHZCAKDDLW-OAHLLOKOSA-N 1 2 333.480 2.229 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCNC(=O)C(C)(C)C)[C@@H]1C ZINC001394711154 1390743285 /nfs/dbraw/zinc/74/32/85/1390743285.db2.gz MFKMFJYPOWESKZ-KBPBESRZSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCNC(=O)C(C)(C)C)[C@@H]1C ZINC001394711154 1390743287 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EEEDLO C[N@@H+](CCNC(=O)[C@@H]1OCCc2ccccc21)Cc1ccccc1C#N ZINC001399548526 1395233150 /nfs/dbraw/zinc/23/31/50/1395233150.db2.gz PWDJWGJNZSTIAR-HXUWFJFHSA-N 1 2 349.434 2.420 20 30 EEEDLO CO[C@@H](C)c1nc(C[NH2+]C/C=C/CNC(=O)C#CC(C)C)cs1 ZINC001754131493 1406847418 /nfs/dbraw/zinc/84/74/18/1406847418.db2.gz JSLRUJONXHUFLL-GJBLVYBDSA-N 1 2 335.473 2.272 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(-n2ccnc2)nc1 ZINC001401764005 1397556707 /nfs/dbraw/zinc/55/67/07/1397556707.db2.gz XKMNEQVMFPKNAI-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(-n2ccnc2)nc1 ZINC001401764005 1397556710 /nfs/dbraw/zinc/55/67/10/1397556710.db2.gz XKMNEQVMFPKNAI-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO C#CCCCCCC(=O)N(C)C1C[NH+](Cc2ccc(CO)cc2)C1 ZINC001754580251 1406929802 /nfs/dbraw/zinc/92/98/02/1406929802.db2.gz SMMKIVDQHBVGOD-UHFFFAOYSA-N 1 2 328.456 2.405 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)COCc1ccc(C)cc1)O2 ZINC001755054080 1407060933 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1407674366 /nfs/dbraw/zinc/67/43/66/1407674366.db2.gz OYLROEUWYUGWSX-CYBMUJFWSA-N 1 2 332.448 2.315 20 30 EEEDLO CC#CCCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(C(F)F)no2)[C@@H]1C ZINC001755659197 1407710239 /nfs/dbraw/zinc/71/02/39/1407710239.db2.gz PVGDJIHEHWFUNE-NWDGAFQWSA-N 1 2 340.374 2.280 20 30 EEEDLO C#CCCCCC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1ncccn1)CC2 ZINC001755697909 1407745358 /nfs/dbraw/zinc/74/53/58/1407745358.db2.gz CVQAHEYEXHXAMZ-QFBILLFUSA-N 1 2 326.444 2.283 20 30 EEEDLO C#CCCCCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1ncccn1)CC2 ZINC001755697909 1407745361 /nfs/dbraw/zinc/74/53/61/1407745361.db2.gz CVQAHEYEXHXAMZ-QFBILLFUSA-N 1 2 326.444 2.283 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NCC1=CC[N@H+]([C@H](C)c2ncc(C)o2)CC1 ZINC001755883332 1407940189 /nfs/dbraw/zinc/94/01/89/1407940189.db2.gz IWPQZFHTJVIHDP-RDTXWAMCSA-N 1 2 333.432 2.119 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NCC1=CC[N@@H+]([C@H](C)c2ncc(C)o2)CC1 ZINC001755883332 1407940191 /nfs/dbraw/zinc/94/01/91/1407940191.db2.gz 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343.475 2.080 20 30 EEEDLO Cc1cc(C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)no1 ZINC001031530798 769429756 /nfs/dbraw/zinc/42/97/56/769429756.db2.gz CWEUOUALOLPIHT-UHFFFAOYSA-N 1 2 343.814 2.350 20 30 EEEDLO Cc1occc1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031538555 769466096 /nfs/dbraw/zinc/46/60/96/769466096.db2.gz UUAOZHVXMAPTGK-UHFFFAOYSA-N 1 2 327.359 2.461 20 30 EEEDLO C=CCCCC(=O)NC[C@H](Nc1nc(N(C)C)nc(C)[nH+]1)C(C)C ZINC001105267966 769517359 /nfs/dbraw/zinc/51/73/59/769517359.db2.gz VMXKHLHWNCXFBX-AWEZNQCLSA-N 1 2 334.468 2.155 20 30 EEEDLO C=C1CCC(C(=O)N2CC(n3cc(C[NH2+]C/C=C/Cl)nn3)C2)CC1 ZINC001105322462 769710176 /nfs/dbraw/zinc/71/01/76/769710176.db2.gz QUVJBTZXAKQHPC-FARCUNLSSA-N 1 2 349.866 2.250 20 30 EEEDLO C#CCCCCC(=O)NCC[NH2+]Cc1nnc(Cc2ccccc2)o1 ZINC001125945209 769712938 /nfs/dbraw/zinc/71/29/38/769712938.db2.gz LAWFZZAHWUPYSJ-UHFFFAOYSA-N 1 2 340.427 2.060 20 30 EEEDLO C=CCCC1(C(=O)N(C)CCOCCNc2cc[nH+]c(C)n2)CC1 ZINC001127478014 769753266 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345.434 2.035 20 30 EEEDLO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1cc(O)cc(C#N)c1 ZINC000809621597 783228474 /nfs/dbraw/zinc/22/84/74/783228474.db2.gz KVCZYIACWZWOMS-UHFFFAOYSA-N 1 2 333.351 2.083 20 30 EEEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC3(F)F)C2)ccc1F ZINC001031760647 775075881 /nfs/dbraw/zinc/07/58/81/775075881.db2.gz LANWUKSYQUVHMC-AWEZNQCLSA-N 1 2 337.345 2.291 20 30 EEEDLO CCc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)[nH]n1 ZINC000980723972 775341860 /nfs/dbraw/zinc/34/18/60/775341860.db2.gz SVMJYRXLTLPEKY-UHFFFAOYSA-N 1 2 343.456 2.253 20 30 EEEDLO CCc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)[nH]n1 ZINC000980723972 775341872 /nfs/dbraw/zinc/34/18/72/775341872.db2.gz SVMJYRXLTLPEKY-UHFFFAOYSA-N 1 2 343.456 2.253 20 30 EEEDLO Cc1cc(C(=O)N2CCC[N@H+](CC#Cc3ccc(F)cc3)CC2)[nH]n1 ZINC000980773022 775531203 /nfs/dbraw/zinc/53/12/03/775531203.db2.gz DHDFTQDFKKARMK-UHFFFAOYSA-N 1 2 340.402 2.057 20 30 EEEDLO Cc1cc(C(=O)N2CCC[N@@H+](CC#Cc3ccc(F)cc3)CC2)[nH]n1 ZINC000980773022 775531207 /nfs/dbraw/zinc/53/12/07/775531207.db2.gz DHDFTQDFKKARMK-UHFFFAOYSA-N 1 2 340.402 2.057 20 30 EEEDLO CO[C@H]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001031791413 775715183 /nfs/dbraw/zinc/71/51/83/775715183.db2.gz IMVAQYHGCYIPTC-WBVHZDCISA-N 1 2 345.418 2.060 20 30 EEEDLO CO[C@@H]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001031792302 775732158 /nfs/dbraw/zinc/73/21/58/775732158.db2.gz QLKNUHFYEQZDPR-NVXWUHKLSA-N 1 2 345.418 2.060 20 30 EEEDLO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c2ccccc2c1=O ZINC001027993801 775786704 /nfs/dbraw/zinc/78/67/04/775786704.db2.gz AJHNDTDYXDZSLL-CQSZACIVSA-N 1 2 325.412 2.298 20 30 EEEDLO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c2ccccc2c1=O ZINC001027993801 775786708 /nfs/dbraw/zinc/78/67/08/775786708.db2.gz AJHNDTDYXDZSLL-CQSZACIVSA-N 1 2 325.412 2.298 20 30 EEEDLO Cn1ccc(C(=O)N2CCC[N@H+](CC#Cc3ccc(F)cc3)CC2)c1 ZINC000980966995 776207621 /nfs/dbraw/zinc/20/76/21/776207621.db2.gz RROOPYFBIBSNOX-UHFFFAOYSA-N 1 2 339.414 2.364 20 30 EEEDLO Cn1ccc(C(=O)N2CCC[N@@H+](CC#Cc3ccc(F)cc3)CC2)c1 ZINC000980966995 776207632 /nfs/dbraw/zinc/20/76/32/776207632.db2.gz RROOPYFBIBSNOX-UHFFFAOYSA-N 1 2 339.414 2.364 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCCO3)CC2)c(F)c1 ZINC000980985054 776263975 /nfs/dbraw/zinc/26/39/75/776263975.db2.gz QYDZCWQLMJHWBS-GOSISDBHSA-N 1 2 345.418 2.301 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCCO3)CC2)c(F)c1 ZINC000980985054 776263987 /nfs/dbraw/zinc/26/39/87/776263987.db2.gz QYDZCWQLMJHWBS-GOSISDBHSA-N 1 2 345.418 2.301 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cc3n(n2)CCC3)cc1 ZINC001028067191 776966947 /nfs/dbraw/zinc/96/69/47/776966947.db2.gz PKGZSOAWOXYYKN-FQEVSTJZSA-N 1 2 348.450 2.205 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cc3n(n2)CCC3)cc1 ZINC001028067191 776966951 /nfs/dbraw/zinc/96/69/51/776966951.db2.gz PKGZSOAWOXYYKN-FQEVSTJZSA-N 1 2 348.450 2.205 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001031841982 777192483 /nfs/dbraw/zinc/19/24/83/777192483.db2.gz NDMKFBCLMTVKNV-QUCCMNQESA-N 1 2 339.439 2.065 20 30 EEEDLO CO[C@H]1CCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000981486883 777502160 /nfs/dbraw/zinc/50/21/60/777502160.db2.gz PBNRBRQXXOJMLU-OALUTQOASA-N 1 2 341.455 2.408 20 30 EEEDLO CO[C@H]1CCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000981486883 777502162 /nfs/dbraw/zinc/50/21/62/777502162.db2.gz PBNRBRQXXOJMLU-OALUTQOASA-N 1 2 341.455 2.408 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031866808 777990577 /nfs/dbraw/zinc/99/05/77/777990577.db2.gz UBDQHEWPKUBYPN-AEFFLSMTSA-N 1 2 345.418 2.060 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)CC1 ZINC000981720586 778089366 /nfs/dbraw/zinc/08/93/66/778089366.db2.gz GCFVLHUTTARZAN-OAHLLOKOSA-N 1 2 347.846 2.399 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)CC1 ZINC000981720586 778089375 /nfs/dbraw/zinc/08/93/75/778089375.db2.gz GCFVLHUTTARZAN-OAHLLOKOSA-N 1 2 347.846 2.399 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC3(CN(C(=O)C#CC4CC4)C3)C2)cs1 ZINC000981758312 778168407 /nfs/dbraw/zinc/16/84/07/778168407.db2.gz KZMUDAAOVYIKDY-UHFFFAOYSA-N 1 2 329.469 2.289 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC3(CN(C(=O)C#CC4CC4)C3)C2)cs1 ZINC000981758312 778168408 /nfs/dbraw/zinc/16/84/08/778168408.db2.gz KZMUDAAOVYIKDY-UHFFFAOYSA-N 1 2 329.469 2.289 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(N2CCCC2)ncn1 ZINC001028137596 778343662 /nfs/dbraw/zinc/34/36/62/778343662.db2.gz KFBNWRXJQBCWTQ-AWEZNQCLSA-N 1 2 349.866 2.024 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(N2CCCC2)ncn1 ZINC001028137596 778343673 /nfs/dbraw/zinc/34/36/73/778343673.db2.gz KFBNWRXJQBCWTQ-AWEZNQCLSA-N 1 2 349.866 2.024 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@@H+](Cc1nccc(C)n1)C2 ZINC000981937547 778587542 /nfs/dbraw/zinc/58/75/42/778587542.db2.gz KORKUTLFTRBMKE-UHFFFAOYSA-N 1 2 328.460 2.422 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@H+](Cc1nccc(C)n1)C2 ZINC000981937547 778587548 /nfs/dbraw/zinc/58/75/48/778587548.db2.gz KORKUTLFTRBMKE-UHFFFAOYSA-N 1 2 328.460 2.422 20 30 EEEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000182632338 779388840 /nfs/dbraw/zinc/38/88/40/779388840.db2.gz WNUYYBYAZNXGBB-IBGZPJMESA-N 1 2 327.428 2.408 20 30 EEEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000182632338 779388847 /nfs/dbraw/zinc/38/88/47/779388847.db2.gz WNUYYBYAZNXGBB-IBGZPJMESA-N 1 2 327.428 2.408 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)nc1 ZINC001058932082 779618629 /nfs/dbraw/zinc/61/86/29/779618629.db2.gz OVCSVPDBNYCQFF-INIZCTEOSA-N 1 2 347.422 2.365 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)OCC)C1 ZINC001111610407 781033734 /nfs/dbraw/zinc/03/37/34/781033734.db2.gz UCYOBAFKOYUMQB-YDHLFZDLSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)OCC)C1 ZINC001111610407 781033742 /nfs/dbraw/zinc/03/37/42/781033742.db2.gz UCYOBAFKOYUMQB-YDHLFZDLSA-N 1 2 345.281 2.291 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ncccn2)C[C@H]1C ZINC000942130751 781790658 /nfs/dbraw/zinc/79/06/58/781790658.db2.gz QLSINHXSTDCHTB-HZPDHXFCSA-N 1 2 339.443 2.105 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2ncccn2)C[C@H]1C ZINC000942130751 781790662 /nfs/dbraw/zinc/79/06/62/781790662.db2.gz QLSINHXSTDCHTB-HZPDHXFCSA-N 1 2 339.443 2.105 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCCCC[C@@H]([NH2+]Cc2noc(C(C)(C)C)n2)C1 ZINC001088280544 783348051 /nfs/dbraw/zinc/34/80/51/783348051.db2.gz UELUYFBGZIPCRM-ZIAGYGMSSA-N 1 2 347.463 2.388 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(N3CCCC3)nc2)C1 ZINC001032054093 783435658 /nfs/dbraw/zinc/43/56/58/783435658.db2.gz GSQSKUZJGLYUGI-UHFFFAOYSA-N 1 2 334.851 2.096 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cncc(OC)n2)C1 ZINC001131976503 783540901 /nfs/dbraw/zinc/54/09/01/783540901.db2.gz LDCDVBOEICMQCA-HZPDHXFCSA-N 1 2 344.459 2.148 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cncc(OC)n2)C1 ZINC001131976503 783540906 /nfs/dbraw/zinc/54/09/06/783540906.db2.gz LDCDVBOEICMQCA-HZPDHXFCSA-N 1 2 344.459 2.148 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC2(CC[N@@H+]([C@@H](C)c3csnn3)C2)CC1 ZINC001035169798 783970279 /nfs/dbraw/zinc/97/02/79/783970279.db2.gz HXCJPNTYAOLWGE-OLZOCXBDSA-N 1 2 333.461 2.073 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC2(CC[N@H+]([C@@H](C)c3csnn3)C2)CC1 ZINC001035169798 783970286 /nfs/dbraw/zinc/97/02/86/783970286.db2.gz HXCJPNTYAOLWGE-OLZOCXBDSA-N 1 2 333.461 2.073 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccn(C3CCCCC3)n2)C1 ZINC001035377052 784452082 /nfs/dbraw/zinc/45/20/82/784452082.db2.gz ZSMSBHKFNPJAHN-MRXNPFEDSA-N 1 2 332.448 2.005 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccn(C3CCCCC3)n2)C1 ZINC001035377052 784452088 /nfs/dbraw/zinc/45/20/88/784452088.db2.gz ZSMSBHKFNPJAHN-MRXNPFEDSA-N 1 2 332.448 2.005 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCc3c2cccc3Cl)C1 ZINC001035456310 784506535 /nfs/dbraw/zinc/50/65/35/784506535.db2.gz SBEVYPNOUDMWQX-CJNGLKHVSA-N 1 2 334.847 2.373 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCc3c2cccc3Cl)C1 ZINC001035456310 784506541 /nfs/dbraw/zinc/50/65/41/784506541.db2.gz SBEVYPNOUDMWQX-CJNGLKHVSA-N 1 2 334.847 2.373 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1C[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001091504669 791034244 /nfs/dbraw/zinc/03/42/44/791034244.db2.gz LHRJBPHEYVXVOD-SHTZXODSSA-N 1 2 343.475 2.128 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1C[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001091504669 791034254 /nfs/dbraw/zinc/03/42/54/791034254.db2.gz LHRJBPHEYVXVOD-SHTZXODSSA-N 1 2 343.475 2.128 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn(C)nc2C2CCCC2)C1 ZINC001035500848 784598809 /nfs/dbraw/zinc/59/88/09/784598809.db2.gz RFHMRRXMLGOGNQ-MRXNPFEDSA-N 1 2 346.475 2.084 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cn(C)nc2C2CCCC2)C1 ZINC001035500848 784598813 /nfs/dbraw/zinc/59/88/13/784598813.db2.gz RFHMRRXMLGOGNQ-MRXNPFEDSA-N 1 2 346.475 2.084 20 30 EEEDLO C=CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000907583632 784738499 /nfs/dbraw/zinc/73/84/99/784738499.db2.gz YUSAHBCERNPADI-QGZVFWFLSA-N 1 2 341.411 2.141 20 30 EEEDLO C[NH+]1CCC(C#N)(NC(=O)c2cc(=O)c3ccc(Cl)cc3o2)CC1 ZINC000817442426 784787250 /nfs/dbraw/zinc/78/72/50/784787250.db2.gz WNYHUYCRAAYGIT-UHFFFAOYSA-N 1 2 345.786 2.164 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907813912 784881061 /nfs/dbraw/zinc/88/10/61/784881061.db2.gz BWVZIQCEYWXVKP-HNNXBMFYSA-N 1 2 329.444 2.471 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907813912 784881071 /nfs/dbraw/zinc/88/10/71/784881071.db2.gz BWVZIQCEYWXVKP-HNNXBMFYSA-N 1 2 329.444 2.471 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@]1(C)CCO[C@@H]1C)CC2 ZINC001035760318 785072367 /nfs/dbraw/zinc/07/23/67/785072367.db2.gz NSXCXBXUKJHBOF-GDBMZVCRSA-N 1 2 326.868 2.478 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC3(C[NH+](Cc4ccn(C)n4)C3)CC2)cc1 ZINC001035764451 785083078 /nfs/dbraw/zinc/08/30/78/785083078.db2.gz OGIBPNCDZUKPAV-UHFFFAOYSA-N 1 2 348.450 2.140 20 30 EEEDLO CC(C)Cc1noc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)n1 ZINC000995791490 785718866 /nfs/dbraw/zinc/71/88/66/785718866.db2.gz HVCTZFRFIIBUMX-OAHLLOKOSA-N 1 2 344.459 2.008 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2nc(C3CC3)no2)C(C)(C)C1 ZINC000996141692 786079046 /nfs/dbraw/zinc/07/90/46/786079046.db2.gz YLDPSEXIEZCDTH-ZDUSSCGKSA-N 1 2 332.448 2.486 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CCCC[C@@H]3C)nn2)C1 ZINC001107241539 786567067 /nfs/dbraw/zinc/56/70/67/786567067.db2.gz YKPPEKXQSPBQSW-LSDHHAIUSA-N 1 2 331.464 2.153 20 30 EEEDLO Cn1c[nH+]cc1CCC(=O)NC/C=C/CNc1cccc(F)c1C#N ZINC001107297857 786758281 /nfs/dbraw/zinc/75/82/81/786758281.db2.gz OKVKBYIYMKGSMF-NSCUHMNNSA-N 1 2 341.390 2.148 20 30 EEEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncnn1CCF)CC2 ZINC001107326826 786893838 /nfs/dbraw/zinc/89/38/38/786893838.db2.gz IYPZRWHNXZRJIU-CRAIPNDOSA-N 1 2 349.454 2.075 20 30 EEEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncnn1CCF)CC2 ZINC001107326826 786893850 /nfs/dbraw/zinc/89/38/50/786893850.db2.gz IYPZRWHNXZRJIU-CRAIPNDOSA-N 1 2 349.454 2.075 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001109597195 805739917 /nfs/dbraw/zinc/73/99/17/805739917.db2.gz CQHAILLCOGLFRU-SIXLDLHFSA-N 1 2 347.503 2.225 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001109597195 805739922 /nfs/dbraw/zinc/73/99/22/805739922.db2.gz CQHAILLCOGLFRU-SIXLDLHFSA-N 1 2 347.503 2.225 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)c(F)c2)[C@H](O)C1 ZINC001090588091 787097629 /nfs/dbraw/zinc/09/76/29/787097629.db2.gz BWSBEKKABRMNBY-UONOGXRCSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)c(F)c2)[C@H](O)C1 ZINC001090588091 787097636 /nfs/dbraw/zinc/09/76/36/787097636.db2.gz BWSBEKKABRMNBY-UONOGXRCSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2oc(C(C)C)nc2C)[C@@H](O)C1 ZINC001090639685 787472703 /nfs/dbraw/zinc/47/27/03/787472703.db2.gz ZIHLCXKVZBTZIL-OLZOCXBDSA-N 1 2 341.839 2.024 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2oc(C(C)C)nc2C)[C@@H](O)C1 ZINC001090639685 787472707 /nfs/dbraw/zinc/47/27/07/787472707.db2.gz ZIHLCXKVZBTZIL-OLZOCXBDSA-N 1 2 341.839 2.024 20 30 EEEDLO C[C@@H](CC(=O)NC/C=C\CNc1ncc(C#N)cc1F)n1cc[nH+]c1 ZINC001107545943 787571102 /nfs/dbraw/zinc/57/11/02/787571102.db2.gz PNSNMHADCPDKRL-ZRMMWKCHSA-N 1 2 342.378 2.024 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCC1 ZINC001109635559 805811115 /nfs/dbraw/zinc/81/11/15/805811115.db2.gz ILELTEIHZINDDM-RANZSIQMSA-N 1 2 347.503 2.369 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCC1 ZINC001109635559 805811124 /nfs/dbraw/zinc/81/11/24/805811124.db2.gz ILELTEIHZINDDM-RANZSIQMSA-N 1 2 347.503 2.369 20 30 EEEDLO Cc1cc(C)c(C(=O)NC/C=C/CNc2cnc(C#N)cn2)c(C)[nH+]1 ZINC001107598847 787842707 /nfs/dbraw/zinc/84/27/07/787842707.db2.gz ABDJQZSVKRMEOH-SNAWJCMRSA-N 1 2 336.399 2.067 20 30 EEEDLO Cc1nc(N2C[C@@H](C)[C@H](NC(=O)C#CC3CC3)C2)c2c([nH+]1)CCCC2 ZINC001090706379 787868502 /nfs/dbraw/zinc/86/85/02/787868502.db2.gz WQWMPGPDSZNBKN-FZKQIMNGSA-N 1 2 338.455 2.018 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079021089 788350724 /nfs/dbraw/zinc/35/07/24/788350724.db2.gz BXBYSWDFVOIMBJ-OAHLLOKOSA-N 1 2 332.448 2.004 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccnn2C)CCC1 ZINC001109683743 805872407 /nfs/dbraw/zinc/87/24/07/805872407.db2.gz ZXQDXUTWVROFNI-PVAVHDDUSA-N 1 2 328.460 2.388 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccnn2C)CCC1 ZINC001109683743 805872417 /nfs/dbraw/zinc/87/24/17/805872417.db2.gz ZXQDXUTWVROFNI-PVAVHDDUSA-N 1 2 328.460 2.388 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(C)[C@@H]2CCCC[C@@H]2C)cc1 ZINC000151165233 788681939 /nfs/dbraw/zinc/68/19/39/788681939.db2.gz KLDSOZQFOOVWIT-XJKSGUPXSA-N 1 2 333.432 2.369 20 30 EEEDLO C[C@@H](CC(=O)N(C)C1CC(Nc2ccc(C#N)cn2)C1)n1cc[nH+]c1 ZINC001127080199 788752680 /nfs/dbraw/zinc/75/26/80/788752680.db2.gz MPQQTYPQOBQCER-JEYLPNPQSA-N 1 2 338.415 2.202 20 30 EEEDLO CC1CC(C(=O)NC[C@]2(C)C[N@H+](Cc3ccc(C#N)cc3)CCO2)C1 ZINC001107859330 788848606 /nfs/dbraw/zinc/84/86/06/788848606.db2.gz UEHCCASUHVOBDC-PKUWUEBNSA-N 1 2 341.455 2.311 20 30 EEEDLO CC1CC(C(=O)NC[C@]2(C)C[N@@H+](Cc3ccc(C#N)cc3)CCO2)C1 ZINC001107859330 788848616 /nfs/dbraw/zinc/84/86/16/788848616.db2.gz UEHCCASUHVOBDC-PKUWUEBNSA-N 1 2 341.455 2.311 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060794992 788969165 /nfs/dbraw/zinc/96/91/65/788969165.db2.gz DFWRHEANOBARFU-QKPAOTATSA-N 1 2 346.475 2.202 20 30 EEEDLO N#Cc1cncc(C[N@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)c1 ZINC001144075603 789210824 /nfs/dbraw/zinc/21/08/24/789210824.db2.gz QXWGLUFJEOUZLQ-GOSISDBHSA-N 1 2 337.427 2.208 20 30 EEEDLO N#Cc1cncc(C[N@@H+]2Cc3cncn3C[C@H](COCC3CC3)C2)c1 ZINC001144075603 789210830 /nfs/dbraw/zinc/21/08/30/789210830.db2.gz QXWGLUFJEOUZLQ-GOSISDBHSA-N 1 2 337.427 2.208 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)OCCC(C)C)CC2)C1 ZINC001105735939 789312802 /nfs/dbraw/zinc/31/28/02/789312802.db2.gz FUBYRRIEPZVSCM-INIZCTEOSA-N 1 2 338.492 2.315 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091015424 789414599 /nfs/dbraw/zinc/41/45/99/789414599.db2.gz GUAJCDRMGLIYGQ-VNHYZAJKSA-N 1 2 342.447 2.224 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCc2ccccc2)C1 ZINC001108178915 789503830 /nfs/dbraw/zinc/50/38/30/789503830.db2.gz NWWQVYNKBJDJOW-HXUWFJFHSA-N 1 2 328.456 2.240 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCCc2ccccc2)C1 ZINC001108178915 789503842 /nfs/dbraw/zinc/50/38/42/789503842.db2.gz NWWQVYNKBJDJOW-HXUWFJFHSA-N 1 2 328.456 2.240 20 30 EEEDLO Cc1nc(N2CCC(C3(NC(=O)C#CC(C)C)CC3)CC2)cc[nH+]1 ZINC001127131223 789604729 /nfs/dbraw/zinc/60/47/29/789604729.db2.gz VPBJSIIJAJYPNT-UHFFFAOYSA-N 1 2 326.444 2.310 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)C(=O)c2cccc(F)c2)C1 ZINC000923575425 789801918 /nfs/dbraw/zinc/80/19/18/789801918.db2.gz YSTPMZSUSGGXBR-WMLDXEAASA-N 1 2 330.403 2.248 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)C(=O)c2cccc(F)c2)C1 ZINC000923575425 789801922 /nfs/dbraw/zinc/80/19/22/789801922.db2.gz YSTPMZSUSGGXBR-WMLDXEAASA-N 1 2 330.403 2.248 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](Cc2ccccc2N(C)C)C1 ZINC001030334261 790064717 /nfs/dbraw/zinc/06/47/17/790064717.db2.gz YCSWWYBQOGYDDB-MJGOQNOKSA-N 1 2 343.471 2.034 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC001032488952 790137363 /nfs/dbraw/zinc/13/73/63/790137363.db2.gz BIBHERWCXYFTHJ-PVAVHDDUSA-N 1 2 326.444 2.085 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC001032488952 790137367 /nfs/dbraw/zinc/13/73/67/790137367.db2.gz BIBHERWCXYFTHJ-PVAVHDDUSA-N 1 2 326.444 2.085 20 30 EEEDLO N#Cc1ccc(N[C@@H]2CCCC[C@H]2NC(=O)CCn2cc[nH+]c2)nc1 ZINC001091285018 790242329 /nfs/dbraw/zinc/24/23/29/790242329.db2.gz CQZOLSASBKIQFZ-HZPDHXFCSA-N 1 2 338.415 2.079 20 30 EEEDLO C=C(C)CCC(=O)NC[C@]1(C)C[N@H+](Cc2cnccc2C)CCO1 ZINC001107974518 791608776 /nfs/dbraw/zinc/60/87/76/791608776.db2.gz VMFSOBFSTVMJBU-LJQANCHMSA-N 1 2 331.460 2.453 20 30 EEEDLO C=C(C)CCC(=O)NC[C@]1(C)C[N@@H+](Cc2cnccc2C)CCO1 ZINC001107974518 791608785 /nfs/dbraw/zinc/60/87/85/791608785.db2.gz VMFSOBFSTVMJBU-LJQANCHMSA-N 1 2 331.460 2.453 20 30 EEEDLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1Nc1cccc(F)c1C#N ZINC001063754340 791665569 /nfs/dbraw/zinc/66/55/69/791665569.db2.gz SBXYZSYNKJEHAZ-XJKSGUPXSA-N 1 2 341.390 2.243 20 30 EEEDLO C=CCOCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nccs1)C2 ZINC001147303701 791774978 /nfs/dbraw/zinc/77/49/78/791774978.db2.gz FMAYFLMLWKRCMT-UHFFFAOYSA-N 1 2 335.473 2.160 20 30 EEEDLO C=CCOCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nccs1)C2 ZINC001147303701 791774981 /nfs/dbraw/zinc/77/49/81/791774981.db2.gz FMAYFLMLWKRCMT-UHFFFAOYSA-N 1 2 335.473 2.160 20 30 EEEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1nc(CC3CC3)no1)C2 ZINC001147646933 791896980 /nfs/dbraw/zinc/89/69/80/791896980.db2.gz KDALTBIYNIZYNW-UHFFFAOYSA-N 1 2 344.459 2.413 20 30 EEEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1nc(CC3CC3)no1)C2 ZINC001147646933 791896981 /nfs/dbraw/zinc/89/69/81/791896981.db2.gz KDALTBIYNIZYNW-UHFFFAOYSA-N 1 2 344.459 2.413 20 30 EEEDLO Cc1cc(C)c(C(=O)NCC2(NC(=O)C#CC3CC3)CCC2)c(C)[nH+]1 ZINC001063956015 791933431 /nfs/dbraw/zinc/93/34/31/791933431.db2.gz DHASINKJJJDKMK-UHFFFAOYSA-N 1 2 339.439 2.189 20 30 EEEDLO C=CCCC(=O)NCc1c[nH]nc1[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001089096078 792279233 /nfs/dbraw/zinc/27/92/33/792279233.db2.gz UMYVCAUZSVJAIJ-AWEZNQCLSA-N 1 2 340.431 2.084 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001107981709 792354182 /nfs/dbraw/zinc/35/41/82/792354182.db2.gz DCKUBAIRDAZMCX-SFHVURJKSA-N 1 2 332.419 2.250 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001107981709 792354194 /nfs/dbraw/zinc/35/41/94/792354194.db2.gz DCKUBAIRDAZMCX-SFHVURJKSA-N 1 2 332.419 2.250 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC1(NC(=O)CCc2[nH+]ccn2C)CCC1 ZINC001064104623 792408367 /nfs/dbraw/zinc/40/83/67/792408367.db2.gz ROKMPDWWRRIEDR-OAHLLOKOSA-N 1 2 346.475 2.110 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)c1 ZINC001032617429 792408265 /nfs/dbraw/zinc/40/82/65/792408265.db2.gz BHJSFHWXOPDWJZ-PMACEKPBSA-N 1 2 342.402 2.033 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)c1 ZINC001032617429 792408270 /nfs/dbraw/zinc/40/82/70/792408270.db2.gz BHJSFHWXOPDWJZ-PMACEKPBSA-N 1 2 342.402 2.033 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@H](C)N(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001089122494 792495418 /nfs/dbraw/zinc/49/54/18/792495418.db2.gz KXTISGPJDQROHB-GOEBONIOSA-N 1 2 344.459 2.339 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(c2[nH+]cnc3c2cnn3C)C1 ZINC001089159318 792910197 /nfs/dbraw/zinc/91/01/97/792910197.db2.gz OWTMEPMRPXZIOE-OLZOCXBDSA-N 1 2 342.447 2.049 20 30 EEEDLO Cc1nc(N2CC[C@H](C3CCN(C(=O)[C@H](C)C#N)CC3)C2)cc[nH+]1 ZINC001064422540 793061328 /nfs/dbraw/zinc/06/13/28/793061328.db2.gz OUWFNPMNBWWYDS-CJNGLKHVSA-N 1 2 327.432 2.010 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCCCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091917480 793404947 /nfs/dbraw/zinc/40/49/47/793404947.db2.gz IDWCLRXKSZILBT-CRAIPNDOSA-N 1 2 332.448 2.295 20 30 EEEDLO Cc1cc(N2CC[C@@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)nc(C(C)C)[nH+]1 ZINC001064605303 793467195 /nfs/dbraw/zinc/46/71/95/793467195.db2.gz BCAUPJHZTWUYEL-AUUYWEPGSA-N 1 2 341.459 2.497 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4cnon4)C[C@@]3(C)C2)CC1 ZINC001091978826 793490510 /nfs/dbraw/zinc/49/05/10/793490510.db2.gz GUJKRJWUZYIJIC-QAPCUYQASA-N 1 2 330.432 2.096 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4cnon4)C[C@@]3(C)C2)CC1 ZINC001091978826 793490511 /nfs/dbraw/zinc/49/05/11/793490511.db2.gz GUJKRJWUZYIJIC-QAPCUYQASA-N 1 2 330.432 2.096 20 30 EEEDLO C=CCCC(=O)N[C@@H](C)C[C@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001089251482 793668084 /nfs/dbraw/zinc/66/80/84/793668084.db2.gz WALXBRGKVIPBPC-KBPBESRZSA-N 1 2 331.464 2.126 20 30 EEEDLO C=CCCC(=O)N[C@@H](C)C[C@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001089251482 793668086 /nfs/dbraw/zinc/66/80/86/793668086.db2.gz WALXBRGKVIPBPC-KBPBESRZSA-N 1 2 331.464 2.126 20 30 EEEDLO Cc1nc(N2C[C@@H]3CCN(C(=O)C#CC(C)(C)C)[C@@H]3C2)c(C)c(C)[nH+]1 ZINC001090313946 793729258 /nfs/dbraw/zinc/72/92/58/793729258.db2.gz WSMZUPQDIYLZJX-DLBZAZTESA-N 1 2 340.471 2.488 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H](Nc3cc[nH+]c(C)n3)C[C@H]2C)cn1 ZINC001064787970 793736229 /nfs/dbraw/zinc/73/62/29/793736229.db2.gz GWYGFDZFPVBQED-DYVFJYSZSA-N 1 2 335.411 2.267 20 30 EEEDLO Cc1nc(N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H](C)C2)ccc1C#N ZINC001064832116 793822094 /nfs/dbraw/zinc/82/20/94/793822094.db2.gz JRCKENFKEZDMBX-WFASDCNBSA-N 1 2 338.415 2.019 20 30 EEEDLO C#CCCCCC(=O)N[C@H](C)C[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001089266966 793851185 /nfs/dbraw/zinc/85/11/85/793851185.db2.gz CRTINFCOYVJHTR-ZIAGYGMSSA-N 1 2 342.447 2.252 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(F)cc1)c1nccn12 ZINC001092336073 793858354 /nfs/dbraw/zinc/85/83/54/793858354.db2.gz KUEHSRGOUNJLRD-OAHLLOKOSA-N 1 2 326.375 2.094 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC1(C)C)c1nccn12 ZINC001092387190 793882414 /nfs/dbraw/zinc/88/24/14/793882414.db2.gz SYVKIDNJQXRQDM-JKSUJKDBSA-N 1 2 340.471 2.305 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc3cc[nH]c31)c1nccn12 ZINC001092396507 793895728 /nfs/dbraw/zinc/89/57/28/793895728.db2.gz FMKPNNRHHHFSIO-INIZCTEOSA-N 1 2 347.422 2.436 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(F)c1C)c1nccn12 ZINC001092371403 793914992 /nfs/dbraw/zinc/91/49/92/793914992.db2.gz ZMBNDYXFMJSCRD-MRXNPFEDSA-N 1 2 340.402 2.402 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)c1ccccc1)c1nccn12 ZINC001092408158 793956847 /nfs/dbraw/zinc/95/68/47/793956847.db2.gz YQOMYUBZWRTCTN-DOTOQJQBSA-N 1 2 336.439 2.445 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(Cc2ccc(F)cc2)CC1 ZINC001032672538 794057598 /nfs/dbraw/zinc/05/75/98/794057598.db2.gz QSSVSLUHPBGUBF-ROUUACIJSA-N 1 2 326.415 2.457 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(Cc2ccc(F)cc2)CC1 ZINC001032672538 794057606 /nfs/dbraw/zinc/05/76/06/794057606.db2.gz QSSVSLUHPBGUBF-ROUUACIJSA-N 1 2 326.415 2.457 20 30 EEEDLO C[C@@H](CC(=O)N1CCC[C@H]1CNc1ccc(C#N)nc1)n1cc[nH+]c1 ZINC001065024491 794115293 /nfs/dbraw/zinc/11/52/93/794115293.db2.gz FNFVUSXJFCQBPN-YOEHRIQHSA-N 1 2 338.415 2.204 20 30 EEEDLO C=CCCCC(=O)NC[C@]1(C)CN(c2cc(C)[nH+]c(CC)n2)CCO1 ZINC001092768659 794346424 /nfs/dbraw/zinc/34/64/24/794346424.db2.gz LLOSDNTVERYGBV-LJQANCHMSA-N 1 2 346.475 2.415 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1[C@H]2CN(c3nc(C)[nH+]c4c3CCCC4)C[C@H]21 ZINC001093258547 794894450 /nfs/dbraw/zinc/89/44/50/794894450.db2.gz MNRIJDWNWPZWBX-MNZLEMJZSA-N 1 2 338.455 2.018 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccnc(Cl)c2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079592517 794997148 /nfs/dbraw/zinc/99/71/48/794997148.db2.gz JWBOPKCBEOVQBN-IAQYHMDHSA-N 1 2 343.818 2.185 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079592517 794997152 /nfs/dbraw/zinc/99/71/52/794997152.db2.gz JWBOPKCBEOVQBN-IAQYHMDHSA-N 1 2 343.818 2.185 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccns1 ZINC001079790910 795198336 /nfs/dbraw/zinc/19/83/36/795198336.db2.gz GVUDWOCCIHSCII-IUODEOHRSA-N 1 2 326.425 2.265 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccns1 ZINC001079790910 795198339 /nfs/dbraw/zinc/19/83/39/795198339.db2.gz GVUDWOCCIHSCII-IUODEOHRSA-N 1 2 326.425 2.265 20 30 EEEDLO C[C@H](C[C@@H](C)Nc1[nH+]cnc2c1cnn2C)NC(=O)C#CC(C)(C)C ZINC001089312840 795209264 /nfs/dbraw/zinc/20/92/64/795209264.db2.gz LDKLYHRFSRXOLQ-CHWSQXEVSA-N 1 2 342.447 2.108 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC(N(CC)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079854848 795282952 /nfs/dbraw/zinc/28/29/52/795282952.db2.gz FHZVZEWNNWEJNL-LIRRHRJNSA-N 1 2 346.475 2.250 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC(N(CC)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079854848 795282955 /nfs/dbraw/zinc/28/29/55/795282955.db2.gz FHZVZEWNNWEJNL-LIRRHRJNSA-N 1 2 346.475 2.250 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3ccnc(F)c3)CC2)C1 ZINC001093516999 795302761 /nfs/dbraw/zinc/30/27/61/795302761.db2.gz QWKZRZKPBXVTFA-UHFFFAOYSA-N 1 2 333.407 2.102 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccncc3CC)CC2)C1 ZINC001093549472 795367779 /nfs/dbraw/zinc/36/77/79/795367779.db2.gz SGWJKUGHBUUEGC-UHFFFAOYSA-N 1 2 329.444 2.135 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)[C@@H](CC)C1 ZINC001110025980 806410846 /nfs/dbraw/zinc/41/08/46/806410846.db2.gz TXQHOFGOMBWQMA-LSDHHAIUSA-N 1 2 346.479 2.251 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@]3(C)CCO[C@H]3C)CC2)C1 ZINC001093556774 795411658 /nfs/dbraw/zinc/41/16/58/795411658.db2.gz FNNDILCUWKSKDH-HNAYVOBHSA-N 1 2 336.476 2.069 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC(N(CC)C(=O)CCCn2cc[nH+]c2)C1 ZINC001080026840 795502956 /nfs/dbraw/zinc/50/29/56/795502956.db2.gz IWCWBTZSXCKAOH-LJQANCHMSA-N 1 2 346.475 2.325 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(-c3cc[nH]n3)s2)C1 ZINC001108010671 795508172 /nfs/dbraw/zinc/50/81/72/795508172.db2.gz YXYVXBUMGYNLSW-QGZVFWFLSA-N 1 2 346.456 2.145 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(-c3cc[nH]n3)s2)C1 ZINC001108010671 795508178 /nfs/dbraw/zinc/50/81/78/795508178.db2.gz YXYVXBUMGYNLSW-QGZVFWFLSA-N 1 2 346.456 2.145 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C/C=C/c2ccc(F)cc2)C1 ZINC001108022733 795621959 /nfs/dbraw/zinc/62/19/59/795621959.db2.gz LLPMHZIVVCLFBT-XJDXJNMNSA-N 1 2 344.430 2.459 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C/C=C/c2ccc(F)cc2)C1 ZINC001108022733 795621960 /nfs/dbraw/zinc/62/19/60/795621960.db2.gz LLPMHZIVVCLFBT-XJDXJNMNSA-N 1 2 344.430 2.459 20 30 EEEDLO Cc1csc(C[N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)n1 ZINC000993192230 795757324 /nfs/dbraw/zinc/75/73/24/795757324.db2.gz BKXDPYROTJTQMV-WFASDCNBSA-N 1 2 343.456 2.434 20 30 EEEDLO Cc1csc(C[N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)n1 ZINC000993192230 795757327 /nfs/dbraw/zinc/75/73/27/795757327.db2.gz BKXDPYROTJTQMV-WFASDCNBSA-N 1 2 343.456 2.434 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001080311379 795870800 /nfs/dbraw/zinc/87/08/00/795870800.db2.gz BVLHELGTDIREGB-NUEKZKHPSA-N 1 2 344.459 2.175 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001080311379 795870802 /nfs/dbraw/zinc/87/08/02/795870802.db2.gz BVLHELGTDIREGB-NUEKZKHPSA-N 1 2 344.459 2.175 20 30 EEEDLO C=CCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001078098573 795905638 /nfs/dbraw/zinc/90/56/38/795905638.db2.gz VMHHRHQDVOCYQP-ZFWWWQNUSA-N 1 2 346.475 2.190 20 30 EEEDLO C=CCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001078098573 795905641 /nfs/dbraw/zinc/90/56/41/795905641.db2.gz VMHHRHQDVOCYQP-ZFWWWQNUSA-N 1 2 346.475 2.190 20 30 EEEDLO N#Cc1sc(NCCNC(=O)c2cc3c[nH+]ccc3[nH]2)nc1Cl ZINC001094235832 796028340 /nfs/dbraw/zinc/02/83/40/796028340.db2.gz LEFGBZUJAYTACU-UHFFFAOYSA-N 1 2 346.803 2.386 20 30 EEEDLO Cc1nsc(N[C@@H](C)CCNC(=O)CCCn2cc[nH+]c2)c1C#N ZINC001099242682 796036159 /nfs/dbraw/zinc/03/61/59/796036159.db2.gz XHFSSEWDIWFZSK-LBPRGKRZSA-N 1 2 346.460 2.307 20 30 EEEDLO C=CCCC1(C(=O)N(CC)C2CN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001080465834 796037566 /nfs/dbraw/zinc/03/75/66/796037566.db2.gz MISWJTOWMOLOSR-UHFFFAOYSA-N 1 2 344.459 2.148 20 30 EEEDLO C=CCCC1(C(=O)N(CC)C2CN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001080465834 796037572 /nfs/dbraw/zinc/03/75/72/796037572.db2.gz MISWJTOWMOLOSR-UHFFFAOYSA-N 1 2 344.459 2.148 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ccc(C(C)C)cc3)nn2)C1 ZINC001094335292 796109457 /nfs/dbraw/zinc/10/94/57/796109457.db2.gz AWZZLFUTTMSQAG-UHFFFAOYSA-N 1 2 339.443 2.374 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3sccc3C(C)C)nn2)C1 ZINC001094338973 796112793 /nfs/dbraw/zinc/11/27/93/796112793.db2.gz ISXZMNCQAKWQKQ-UHFFFAOYSA-N 1 2 345.472 2.436 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)C2=CCOCC2)[C@H]1C ZINC000993233084 796131680 /nfs/dbraw/zinc/13/16/80/796131680.db2.gz PLOOORODGOSZTJ-TZMCWYRMSA-N 1 2 343.265 2.211 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)C2=CCOCC2)[C@H]1C ZINC000993233084 796131683 /nfs/dbraw/zinc/13/16/83/796131683.db2.gz PLOOORODGOSZTJ-TZMCWYRMSA-N 1 2 343.265 2.211 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cncnc2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993239070 796145424 /nfs/dbraw/zinc/14/54/24/796145424.db2.gz BIBVPKCQVPARGQ-KSSFIOAISA-N 1 2 335.411 2.131 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cncnc2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993239070 796145426 /nfs/dbraw/zinc/14/54/26/796145426.db2.gz BIBVPKCQVPARGQ-KSSFIOAISA-N 1 2 335.411 2.131 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001078308205 796253897 /nfs/dbraw/zinc/25/38/97/796253897.db2.gz YZYTVRIGLQRPRR-UONOGXRCSA-N 1 2 346.475 2.443 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NCCCNc3ccc(C#N)cn3)ccn12 ZINC001094594617 796456711 /nfs/dbraw/zinc/45/67/11/796456711.db2.gz LCAXPKRKYHIRCI-UHFFFAOYSA-N 1 2 334.383 2.141 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2csc(CC)n2)C1 ZINC001080993678 796545483 /nfs/dbraw/zinc/54/54/83/796545483.db2.gz QYIQBAQEXFJJBK-ZWNOBZJWSA-N 1 2 327.881 2.437 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2csc(CC)n2)C1 ZINC001080993678 796545486 /nfs/dbraw/zinc/54/54/86/796545486.db2.gz QYIQBAQEXFJJBK-ZWNOBZJWSA-N 1 2 327.881 2.437 20 30 EEEDLO C#Cc1ccc(C(=O)NC2C[NH+](Cc3cc(C)sc3C)C2)cn1 ZINC001031275669 796626156 /nfs/dbraw/zinc/62/61/56/796626156.db2.gz SNWRKOHAPFXHOJ-UHFFFAOYSA-N 1 2 325.437 2.355 20 30 EEEDLO C#CCC[N@H+]1CCC[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)[C@H]1C ZINC000993566297 796825616 /nfs/dbraw/zinc/82/56/16/796825616.db2.gz KEZGPTVWACINHH-PBHICJAKSA-N 1 2 337.423 2.134 20 30 EEEDLO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)[C@H]1C ZINC000993566297 796825622 /nfs/dbraw/zinc/82/56/22/796825622.db2.gz KEZGPTVWACINHH-PBHICJAKSA-N 1 2 337.423 2.134 20 30 EEEDLO C=CCCC(=O)N[C@H](C)c1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001060605337 796891036 /nfs/dbraw/zinc/89/10/36/796891036.db2.gz SESFWXGOWIHSEQ-OAHLLOKOSA-N 1 2 340.427 2.343 20 30 EEEDLO C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)[C@@H]1C ZINC000993684233 796911165 /nfs/dbraw/zinc/91/11/65/796911165.db2.gz OJHLFPKGCPUYQP-WMLDXEAASA-N 1 2 337.427 2.078 20 30 EEEDLO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)[C@@H]1C ZINC000993684233 796911169 /nfs/dbraw/zinc/91/11/69/796911169.db2.gz OJHLFPKGCPUYQP-WMLDXEAASA-N 1 2 337.427 2.078 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cn(C)nc2Cl)[C@@H]1C ZINC000993827843 797059319 /nfs/dbraw/zinc/05/93/19/797059319.db2.gz IYNHSQLQWNXPSU-WCQYABFASA-N 1 2 345.274 2.338 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cn(C)nc2Cl)[C@@H]1C ZINC000993827843 797059328 /nfs/dbraw/zinc/05/93/28/797059328.db2.gz IYNHSQLQWNXPSU-WCQYABFASA-N 1 2 345.274 2.338 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnn3ccc(C)nc23)[C@H]1C ZINC000994241806 797463109 /nfs/dbraw/zinc/46/31/09/797463109.db2.gz OKEYXSIVUXVBOS-HIFRSBDPSA-N 1 2 347.850 2.373 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnn3ccc(C)nc23)[C@H]1C ZINC000994241806 797463111 /nfs/dbraw/zinc/46/31/11/797463111.db2.gz OKEYXSIVUXVBOS-HIFRSBDPSA-N 1 2 347.850 2.373 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnn3ccc(C)nc23)[C@@H]1C ZINC000994241815 797463174 /nfs/dbraw/zinc/46/31/74/797463174.db2.gz OKEYXSIVUXVBOS-ZFWWWQNUSA-N 1 2 347.850 2.373 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnn3ccc(C)nc23)[C@@H]1C ZINC000994241815 797463176 /nfs/dbraw/zinc/46/31/76/797463176.db2.gz OKEYXSIVUXVBOS-ZFWWWQNUSA-N 1 2 347.850 2.373 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(Br)cc(C=O)c2)C1 ZINC000923593742 797744852 /nfs/dbraw/zinc/74/48/52/797744852.db2.gz CORKNILDRRUTEX-OAHLLOKOSA-N 1 2 349.228 2.089 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)cc(C=O)c2)C1 ZINC000923593742 797744854 /nfs/dbraw/zinc/74/48/54/797744854.db2.gz CORKNILDRRUTEX-OAHLLOKOSA-N 1 2 349.228 2.089 20 30 EEEDLO Cn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c1 ZINC001095308503 797782680 /nfs/dbraw/zinc/78/26/80/797782680.db2.gz QVHDQAKYLIYGKL-QYZOEREBSA-N 1 2 334.423 2.432 20 30 EEEDLO Cn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c1 ZINC001095308503 797782683 /nfs/dbraw/zinc/78/26/83/797782683.db2.gz QVHDQAKYLIYGKL-QYZOEREBSA-N 1 2 334.423 2.432 20 30 EEEDLO C/C=C(\C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001083043679 797836778 /nfs/dbraw/zinc/83/67/78/797836778.db2.gz LPLFTVBDBVJGDG-XUAIMZCTSA-N 1 2 343.402 2.075 20 30 EEEDLO C/C=C(\C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001083043679 797836782 /nfs/dbraw/zinc/83/67/82/797836782.db2.gz LPLFTVBDBVJGDG-XUAIMZCTSA-N 1 2 343.402 2.075 20 30 EEEDLO CC(F)(F)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084149312 797999459 /nfs/dbraw/zinc/99/94/59/797999459.db2.gz CWZDRGKGIZEXGO-UKRRQHHQSA-N 1 2 337.345 2.385 20 30 EEEDLO CC(F)(F)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084149312 797999463 /nfs/dbraw/zinc/99/94/63/797999463.db2.gz CWZDRGKGIZEXGO-UKRRQHHQSA-N 1 2 337.345 2.385 20 30 EEEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3nsc4ccccc34)C[C@H]21 ZINC001084236470 798100110 /nfs/dbraw/zinc/10/01/10/798100110.db2.gz HBMFZUUGBMREAY-XJKCOSOUSA-N 1 2 340.452 2.489 20 30 EEEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](Cc3nsc4ccccc34)C[C@H]21 ZINC001084236470 798100116 /nfs/dbraw/zinc/10/01/16/798100116.db2.gz HBMFZUUGBMREAY-XJKCOSOUSA-N 1 2 340.452 2.489 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4n[nH]cc43)[C@@H]2C1 ZINC001084345977 798160113 /nfs/dbraw/zinc/16/01/13/798160113.db2.gz WGKFGDVLOVJILQ-DVOMOZLQSA-N 1 2 334.851 2.115 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4n[nH]cc43)[C@@H]2C1 ZINC001084345977 798160114 /nfs/dbraw/zinc/16/01/14/798160114.db2.gz WGKFGDVLOVJILQ-DVOMOZLQSA-N 1 2 334.851 2.115 20 30 EEEDLO Cc1nsc(N[C@H]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c1C#N ZINC001061096622 798165328 /nfs/dbraw/zinc/16/53/28/798165328.db2.gz VTXVCQUPOJANBH-OLZOCXBDSA-N 1 2 344.444 2.059 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CCc3ccco3)c2C1 ZINC001128186609 798174248 /nfs/dbraw/zinc/17/42/48/798174248.db2.gz IGBARIQLEPISDC-UHFFFAOYSA-N 1 2 328.416 2.117 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CCc3ccco3)c2C1 ZINC001128186609 798174253 /nfs/dbraw/zinc/17/42/53/798174253.db2.gz IGBARIQLEPISDC-UHFFFAOYSA-N 1 2 328.416 2.117 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccns3)C[C@H]21 ZINC001084409449 798202547 /nfs/dbraw/zinc/20/25/47/798202547.db2.gz WVPOLMYXPTVOSZ-RHSMWYFYSA-N 1 2 342.468 2.477 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccns3)C[C@H]21 ZINC001084409449 798202549 /nfs/dbraw/zinc/20/25/49/798202549.db2.gz WVPOLMYXPTVOSZ-RHSMWYFYSA-N 1 2 342.468 2.477 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3cnc(C)nc3)C[C@H]21 ZINC001084573901 798285114 /nfs/dbraw/zinc/28/51/14/798285114.db2.gz GPKUVGGBKDAPMS-IAGOWNOFSA-N 1 2 328.460 2.420 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cnc(C)nc3)C[C@H]21 ZINC001084573901 798285115 /nfs/dbraw/zinc/28/51/15/798285115.db2.gz GPKUVGGBKDAPMS-IAGOWNOFSA-N 1 2 328.460 2.420 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4nn(C)cc43)[C@@H]2C1 ZINC001084611455 798313796 /nfs/dbraw/zinc/31/37/96/798313796.db2.gz QZKUXRNDNLKJME-JKIFEVAISA-N 1 2 348.878 2.125 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4nn(C)cc43)[C@@H]2C1 ZINC001084611455 798313802 /nfs/dbraw/zinc/31/38/02/798313802.db2.gz QZKUXRNDNLKJME-JKIFEVAISA-N 1 2 348.878 2.125 20 30 EEEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)C2=CCOCC2)CC1 ZINC001002658868 798396734 /nfs/dbraw/zinc/39/67/34/798396734.db2.gz HFLCEJACZUEVOX-UHFFFAOYSA-N 1 2 343.402 2.125 20 30 EEEDLO C=C[C@H]1CCCCN1CCS(=O)(=O)CC[N@@H+]1CCCC[C@H]1C=C ZINC000785997013 806659523 /nfs/dbraw/zinc/65/95/23/806659523.db2.gz JIPKXAJJIKUUBR-HDICACEKSA-N 1 2 340.533 2.482 20 30 EEEDLO C=C[C@H]1CCCCN1CCS(=O)(=O)CC[N@H+]1CCCC[C@H]1C=C ZINC000785997013 806659532 /nfs/dbraw/zinc/65/95/32/806659532.db2.gz JIPKXAJJIKUUBR-HDICACEKSA-N 1 2 340.533 2.482 20 30 EEEDLO C=C[C@H]1CCCC[N@H+]1CCS(=O)(=O)CCN1CCCC[C@H]1C=C ZINC000785997013 806659539 /nfs/dbraw/zinc/65/95/39/806659539.db2.gz JIPKXAJJIKUUBR-HDICACEKSA-N 1 2 340.533 2.482 20 30 EEEDLO C=C[C@H]1CCCC[N@@H+]1CCS(=O)(=O)CCN1CCCC[C@H]1C=C ZINC000785997013 806659546 /nfs/dbraw/zinc/65/95/46/806659546.db2.gz JIPKXAJJIKUUBR-HDICACEKSA-N 1 2 340.533 2.482 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)C2)c1 ZINC001061132502 798515405 /nfs/dbraw/zinc/51/54/05/798515405.db2.gz CFZJVXUXYZTFKY-IAGOWNOFSA-N 1 2 335.411 2.314 20 30 EEEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)C#N)c2C1 ZINC001128263498 798584048 /nfs/dbraw/zinc/58/40/48/798584048.db2.gz BRGWALIXJTWSLR-HNNXBMFYSA-N 1 2 329.448 2.221 20 30 EEEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)C#N)c2C1 ZINC001128263498 798584053 /nfs/dbraw/zinc/58/40/53/798584053.db2.gz BRGWALIXJTWSLR-HNNXBMFYSA-N 1 2 329.448 2.221 20 30 EEEDLO C#CCCCCCC(=O)N1CC[C@H]2OCC[N@@H+](CCOCC=C)[C@@H]2C1 ZINC001177060019 798721042 /nfs/dbraw/zinc/72/10/42/798721042.db2.gz ACPFCLVYKUVCSI-RTBURBONSA-N 1 2 348.487 2.074 20 30 EEEDLO C#CCCCCCC(=O)N1CC[C@H]2OCC[N@H+](CCOCC=C)[C@@H]2C1 ZINC001177060019 798721046 /nfs/dbraw/zinc/72/10/46/798721046.db2.gz ACPFCLVYKUVCSI-RTBURBONSA-N 1 2 348.487 2.074 20 30 EEEDLO CN(CC(=O)Nc1ncc(C#N)cc1Br)c1cccc[nH+]1 ZINC001177409561 798929175 /nfs/dbraw/zinc/92/91/75/798929175.db2.gz XOQVKKCFHBMGKO-UHFFFAOYSA-N 1 2 346.188 2.186 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2ncc(OC)cc2F)CC1 ZINC001002971836 798943665 /nfs/dbraw/zinc/94/36/65/798943665.db2.gz DPJDOCXOFKECSL-UHFFFAOYSA-N 1 2 327.787 2.176 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CCC(C)C)C2)CC1 ZINC001065685987 799302677 /nfs/dbraw/zinc/30/26/77/799302677.db2.gz KFJMLFRXBCUJIA-QGZVFWFLSA-N 1 2 335.492 2.134 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC(C)C)C2)CC1 ZINC001065683303 799340468 /nfs/dbraw/zinc/34/04/68/799340468.db2.gz XQAKIWYMQQLHAS-ROUUACIJSA-N 1 2 349.519 2.380 20 30 EEEDLO C=C(C)CCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C=C(/C)CC)C2)CC1 ZINC001065704654 799352670 /nfs/dbraw/zinc/35/26/70/799352670.db2.gz PKTMCXKRDDKPDM-HGLWPWQMSA-N 1 2 347.503 2.444 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CCC(=C)C)C2)CC1 ZINC001065707297 799357215 /nfs/dbraw/zinc/35/72/15/799357215.db2.gz RSGDUDPOZIHSLH-QGZVFWFLSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)CC)C2)CC1 ZINC001065688422 799359403 /nfs/dbraw/zinc/35/94/03/799359403.db2.gz HLOOXFCGDXHDNI-IAGOWNOFSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@](C)(C=C)CC)CC2)C1 ZINC001065692275 799368242 /nfs/dbraw/zinc/36/82/42/799368242.db2.gz BACJHJPDJJOORZ-PXNSSMCTSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C(C)=C\CC)C2)CC1 ZINC001065693140 799369667 /nfs/dbraw/zinc/36/96/67/799369667.db2.gz YAOPZIBSHNIESF-QOTSWMAJSA-N 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ZINC001090010581 799706738 /nfs/dbraw/zinc/70/67/38/799706738.db2.gz FRSNKUBVPBJRFE-UHFFFAOYSA-N 1 2 338.415 2.008 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC001003652472 799947070 /nfs/dbraw/zinc/94/70/70/799947070.db2.gz NXAVUMNTDBAESR-MSOLQXFVSA-N 1 2 346.475 2.136 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001003664409 799969367 /nfs/dbraw/zinc/96/93/67/799969367.db2.gz WEIALUAKDZVVIM-MCIONIFRSA-N 1 2 343.265 2.043 20 30 EEEDLO CCc1cc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H](C)C#N)nc(C)[nH+]1 ZINC001066123724 800043277 /nfs/dbraw/zinc/04/32/77/800043277.db2.gz SLPVEFZVSPUUOP-VBNZEHGJSA-N 1 2 327.432 2.077 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001066215740 800176377 /nfs/dbraw/zinc/17/63/77/800176377.db2.gz ZFHBELIUYNFEPI-GJZGRUSLSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001066215740 800176383 /nfs/dbraw/zinc/17/63/83/800176383.db2.gz ZFHBELIUYNFEPI-GJZGRUSLSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC001003787632 800180800 /nfs/dbraw/zinc/18/08/00/800180800.db2.gz HYCKTOLCGXLHSN-XIRDDKMYSA-N 1 2 344.459 2.099 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(Cl)cc2F)C1 ZINC001108060215 800226969 /nfs/dbraw/zinc/22/69/69/800226969.db2.gz WVLNSLNPZYPKQX-INIZCTEOSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(Cl)cc2F)C1 ZINC001108060215 800226973 /nfs/dbraw/zinc/22/69/73/800226973.db2.gz WVLNSLNPZYPKQX-INIZCTEOSA-N 1 2 326.799 2.486 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)no1 ZINC001032890745 800279238 /nfs/dbraw/zinc/27/92/38/800279238.db2.gz LVORNTGZBXUSME-QGZVFWFLSA-N 1 2 341.386 2.320 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)no1 ZINC001032890745 800279243 /nfs/dbraw/zinc/27/92/43/800279243.db2.gz LVORNTGZBXUSME-QGZVFWFLSA-N 1 2 341.386 2.320 20 30 EEEDLO 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20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc3cnccc3c2)C1 ZINC001108325136 803292130 /nfs/dbraw/zinc/29/21/30/803292130.db2.gz LKDQIRHNKNQJEU-IBGZPJMESA-N 1 2 325.412 2.242 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccccc2OC(C)C)C1 ZINC001108357072 803363301 /nfs/dbraw/zinc/36/33/01/803363301.db2.gz XAGVZZVJMTXZJM-IBGZPJMESA-N 1 2 332.444 2.481 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccccc2OC(C)C)C1 ZINC001108357072 803363304 /nfs/dbraw/zinc/36/33/04/803363304.db2.gz XAGVZZVJMTXZJM-IBGZPJMESA-N 1 2 332.444 2.481 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(F)cc2Cl)C1 ZINC001108376283 803397234 /nfs/dbraw/zinc/39/72/34/803397234.db2.gz HSICUPQRYFOTGO-QGZVFWFLSA-N 1 2 338.810 2.323 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(F)cc2Cl)C1 ZINC001108376283 803397237 /nfs/dbraw/zinc/39/72/37/803397237.db2.gz HSICUPQRYFOTGO-QGZVFWFLSA-N 1 2 338.810 2.323 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001108411271 803484549 /nfs/dbraw/zinc/48/45/49/803484549.db2.gz YMNVPUYBUIXUHK-ACJLOTCBSA-N 1 2 338.398 2.461 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001108411271 803484554 /nfs/dbraw/zinc/48/45/54/803484554.db2.gz YMNVPUYBUIXUHK-ACJLOTCBSA-N 1 2 338.398 2.461 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001108415344 803503432 /nfs/dbraw/zinc/50/34/32/803503432.db2.gz HKJMTGZLHPSFIL-FXAWDEMLSA-N 1 2 328.456 2.329 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001108415344 803503435 /nfs/dbraw/zinc/50/34/35/803503435.db2.gz HKJMTGZLHPSFIL-FXAWDEMLSA-N 1 2 328.456 2.329 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001108429469 803542821 /nfs/dbraw/zinc/54/28/21/803542821.db2.gz INPHGTPNEFUPKI-APWZRJJASA-N 1 2 346.858 2.210 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001108429469 803542826 /nfs/dbraw/zinc/54/28/26/803542826.db2.gz INPHGTPNEFUPKI-APWZRJJASA-N 1 2 346.858 2.210 20 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805134038 /nfs/dbraw/zinc/13/40/38/805134038.db2.gz BROXUYACEKPVJA-CYBMUJFWSA-N 1 2 342.447 2.051 20 30 EEEDLO Cc1nc(N(C)C[C@H]2CCCN2C(=O)C#CC(C)C)c(C)c(C)[nH+]1 ZINC001112789177 807248867 /nfs/dbraw/zinc/24/88/67/807248867.db2.gz ZVXZMTAHOYFZHR-QGZVFWFLSA-N 1 2 328.460 2.488 20 30 EEEDLO C#CCOCCC(=O)NC1CC(CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001112853250 807447675 /nfs/dbraw/zinc/44/76/75/807447675.db2.gz QQCAOPZZWQIQPX-UHFFFAOYSA-N 1 2 344.459 2.255 20 30 EEEDLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)[C@H](C)Nc1cccc(F)c1C#N ZINC001112993276 807791428 /nfs/dbraw/zinc/79/14/28/807791428.db2.gz GERXXLIFYJMYIW-NWDGAFQWSA-N 1 2 329.379 2.358 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H](C)[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001113174232 808332553 /nfs/dbraw/zinc/33/25/53/808332553.db2.gz ZSHPRTTZFOYQSJ-CHWSQXEVSA-N 1 2 346.479 2.320 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)[C@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001113193300 808398981 /nfs/dbraw/zinc/39/89/81/808398981.db2.gz GVYNDTKIPTWKDO-KBPBESRZSA-N 1 2 331.464 2.126 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)[C@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001113193300 808398986 /nfs/dbraw/zinc/39/89/86/808398986.db2.gz GVYNDTKIPTWKDO-KBPBESRZSA-N 1 2 331.464 2.126 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+](C[C@@H](O)c2cccc(OC)c2)CC1 ZINC001113247764 808536370 /nfs/dbraw/zinc/53/63/70/808536370.db2.gz FEOXVDFWMDNUHD-QFBILLFUSA-N 1 2 346.471 2.475 20 30 EEEDLO C[C@@H](Nc1ccc(C#N)nc1)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001113350589 808761930 /nfs/dbraw/zinc/76/19/30/808761930.db2.gz VXPOANDWIVTUBS-NEPJUHHUSA-N 1 2 334.383 2.448 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC001113372499 808829045 /nfs/dbraw/zinc/82/90/45/808829045.db2.gz HPPUEXHAWDFDBQ-UHFFFAOYSA-N 1 2 328.334 2.064 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NC[C@H](C)N(C)c1nc(C)[nH+]c(C)c1C ZINC001113530829 809152664 /nfs/dbraw/zinc/15/26/64/809152664.db2.gz UITIKXXGHCNHCL-WFASDCNBSA-N 1 2 334.464 2.324 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC001113710011 809614233 /nfs/dbraw/zinc/61/42/33/809614233.db2.gz BIYKPMKGUIDDBN-MRXNPFEDSA-N 1 2 328.456 2.411 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](CCOc2ccccc2C)CC1 ZINC001113712695 809618168 /nfs/dbraw/zinc/61/81/68/809618168.db2.gz CTEUKLQWVSEBAR-QGZVFWFLSA-N 1 2 332.444 2.109 20 30 EEEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccn(C)c(=O)c3)CC2)CCCC1 ZINC001113744760 809699355 /nfs/dbraw/zinc/69/93/55/809699355.db2.gz MZKOAOXMLVLDPR-UHFFFAOYSA-N 1 2 343.471 2.166 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](OC(C)C)c2ccccc2)CC1 ZINC001113760630 809715700 /nfs/dbraw/zinc/71/57/00/809715700.db2.gz WHHZUWCMJDJXBE-LJQANCHMSA-N 1 2 346.471 2.500 20 30 EEEDLO C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)N(C)c1ncccc1C#N ZINC001113970261 810131218 /nfs/dbraw/zinc/13/12/18/810131218.db2.gz MREIRFWMAFAIRX-GFCCVEGCSA-N 1 2 334.383 2.084 20 30 EEEDLO Cc1nc(N2CC[C@H](C)[C@@H](NC(=O)C#CC3CC3)C2)c(C)c(C)[nH+]1 ZINC001114021875 810200135 /nfs/dbraw/zinc/20/01/35/810200135.db2.gz PBUUVHQZRMZYKK-SJCJKPOMSA-N 1 2 326.444 2.146 20 30 EEEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(-c4occc4C)o3)C[C@H]21 ZINC001114024445 810204197 /nfs/dbraw/zinc/20/41/97/810204197.db2.gz AAGMOTWDLYWIQD-VIKVFOODSA-N 1 2 342.399 2.151 20 30 EEEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nnc(-c4occc4C)o3)C[C@H]21 ZINC001114024445 810204202 /nfs/dbraw/zinc/20/42/02/810204202.db2.gz AAGMOTWDLYWIQD-VIKVFOODSA-N 1 2 342.399 2.151 20 30 EEEDLO CCOC1CC2(C1)CC[N@H+](Cn1cc3c(c(C#N)c1=O)CCCC3)C2 ZINC000793519525 810380340 /nfs/dbraw/zinc/38/03/40/810380340.db2.gz JNAVDSPIEFGHHB-UHFFFAOYSA-N 1 2 341.455 2.447 20 30 EEEDLO CCOC1CC2(C1)CC[N@@H+](Cn1cc3c(c(C#N)c1=O)CCCC3)C2 ZINC000793519525 810380342 /nfs/dbraw/zinc/38/03/42/810380342.db2.gz JNAVDSPIEFGHHB-UHFFFAOYSA-N 1 2 341.455 2.447 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3C(=O)[C@H]4CCCCC[C@@H]43)C2)nc1 ZINC000793594324 810424340 /nfs/dbraw/zinc/42/43/40/810424340.db2.gz YNQUWQDCMHXRNY-IKGGRYGDSA-N 1 2 340.427 2.155 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3C(=O)[C@H]4CCCCC[C@@H]43)C2)nc1 ZINC000793594324 810424346 /nfs/dbraw/zinc/42/43/46/810424346.db2.gz YNQUWQDCMHXRNY-IKGGRYGDSA-N 1 2 340.427 2.155 20 30 EEEDLO CCCCCCC[C@H](C)CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000793792749 810526694 /nfs/dbraw/zinc/52/66/94/810526694.db2.gz QRNMDEAIVOKENU-HOTGVXAUSA-N 1 2 348.491 2.427 20 30 EEEDLO C[C@H](NC(=O)c1ccc(C#N)o1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000794345611 810782000 /nfs/dbraw/zinc/78/20/00/810782000.db2.gz FNGVVCZGOBKGAU-KSSFIOAISA-N 1 2 339.395 2.171 20 30 EEEDLO C[C@H](NC(=O)c1ccc(C#N)o1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000794345611 810782007 /nfs/dbraw/zinc/78/20/07/810782007.db2.gz FNGVVCZGOBKGAU-KSSFIOAISA-N 1 2 339.395 2.171 20 30 EEEDLO N#Cc1ccc(N2CC[C@H](C(=O)OCCCn3cc[nH+]c3)C2)c(F)c1 ZINC000805590785 811386170 /nfs/dbraw/zinc/38/61/70/811386170.db2.gz GYAWUONPPBMQJU-HNNXBMFYSA-N 1 2 342.374 2.354 20 30 EEEDLO CN(C)c1ccccc1C[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000808236093 812547048 /nfs/dbraw/zinc/54/70/48/812547048.db2.gz SUKFMKHFYLNYLM-UHFFFAOYSA-N 1 2 336.439 2.364 20 30 EEEDLO CN(C)c1ccccc1C[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000808236093 812547053 /nfs/dbraw/zinc/54/70/53/812547053.db2.gz SUKFMKHFYLNYLM-UHFFFAOYSA-N 1 2 336.439 2.364 20 30 EEEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@H](C)CCCCC)CC1 ZINC001131385916 812748216 /nfs/dbraw/zinc/74/82/16/812748216.db2.gz PGNQQUFUVVOTHP-KRWDZBQOSA-N 1 2 337.508 2.429 20 30 EEEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C[C@@H](C)CCCCC)CC1 ZINC001131385916 812748223 /nfs/dbraw/zinc/74/82/23/812748223.db2.gz PGNQQUFUVVOTHP-KRWDZBQOSA-N 1 2 337.508 2.429 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)O[C@@]2(CC[N@H+](Cc3coc(C)n3)C2)C1 ZINC001131646263 813071201 /nfs/dbraw/zinc/07/12/01/813071201.db2.gz SKYXAPBQPHICGV-KBXCAEBGSA-N 1 2 333.432 2.141 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)O[C@@]2(CC[N@@H+](Cc3coc(C)n3)C2)C1 ZINC001131646263 813071205 /nfs/dbraw/zinc/07/12/05/813071205.db2.gz SKYXAPBQPHICGV-KBXCAEBGSA-N 1 2 333.432 2.141 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)O[C@]2(CC[N@@H+](Cc3ncc(CC)o3)C2)C1 ZINC001131646450 813072807 /nfs/dbraw/zinc/07/28/07/813072807.db2.gz VROSPUNOEISTDQ-KXBFYZLASA-N 1 2 347.459 2.395 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)O[C@]2(CC[N@H+](Cc3ncc(CC)o3)C2)C1 ZINC001131646450 813072817 /nfs/dbraw/zinc/07/28/17/813072817.db2.gz VROSPUNOEISTDQ-KXBFYZLASA-N 1 2 347.459 2.395 20 30 EEEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCCF)cc1C#N ZINC001438173699 1090682505 /nfs/dbraw/zinc/68/25/05/1090682505.db2.gz IXJJZTHYEVYSSL-HOTGVXAUSA-N 1 2 331.391 2.102 20 30 EEEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCCF)cc1C#N ZINC001438173699 1090682506 /nfs/dbraw/zinc/68/25/06/1090682506.db2.gz IXJJZTHYEVYSSL-HOTGVXAUSA-N 1 2 331.391 2.102 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1ccc(NC(C)=O)cc1 ZINC001445765873 1091618476 /nfs/dbraw/zinc/61/84/76/1091618476.db2.gz IRHQHWYNPICBCA-CYBMUJFWSA-N 1 2 337.851 2.377 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc(NC(C)=O)cc1 ZINC001445765873 1091618482 /nfs/dbraw/zinc/61/84/82/1091618482.db2.gz IRHQHWYNPICBCA-CYBMUJFWSA-N 1 2 337.851 2.377 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(-n2ccnn2)cc1 ZINC001445849768 1091761214 /nfs/dbraw/zinc/76/12/14/1091761214.db2.gz WAXAQJFGDKMFAG-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(-n2ccnn2)cc1 ZINC001445849768 1091761217 /nfs/dbraw/zinc/76/12/17/1091761217.db2.gz WAXAQJFGDKMFAG-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)CC2(C)CC2)cc1C#N ZINC001439541014 1092406978 /nfs/dbraw/zinc/40/69/78/1092406978.db2.gz UEIZWBAZNZWTSD-INIZCTEOSA-N 1 2 327.428 2.448 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)CC2(C)CC2)cc1C#N ZINC001439541014 1092406999 /nfs/dbraw/zinc/40/69/99/1092406999.db2.gz UEIZWBAZNZWTSD-INIZCTEOSA-N 1 2 327.428 2.448 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCc2ccc(=O)[nH]c2)[C@@H]1C ZINC001441886175 1096018234 /nfs/dbraw/zinc/01/82/34/1096018234.db2.gz BGSXSBHGWMRGSM-ZFWWWQNUSA-N 1 2 337.851 2.441 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCc2ccc(=O)[nH]c2)[C@@H]1C ZINC001441886175 1096018244 /nfs/dbraw/zinc/01/82/44/1096018244.db2.gz BGSXSBHGWMRGSM-ZFWWWQNUSA-N 1 2 337.851 2.441 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)CCCn1cccn1 ZINC001496838708 1101572346 /nfs/dbraw/zinc/57/23/46/1101572346.db2.gz YCGWBTBISFQWDG-UHFFFAOYSA-N 1 2 339.443 2.125 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)CCCn1cccn1 ZINC001496838708 1101572355 /nfs/dbraw/zinc/57/23/55/1101572355.db2.gz YCGWBTBISFQWDG-UHFFFAOYSA-N 1 2 339.443 2.125 20 30 EEEDLO Cc1ccncc1C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001480851393 1107263012 /nfs/dbraw/zinc/26/30/12/1107263012.db2.gz ZBUFSDCZGXBPNT-UHFFFAOYSA-N 1 2 326.375 2.263 20 30 EEEDLO Cc1ccncc1C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001480851393 1107263018 /nfs/dbraw/zinc/26/30/18/1107263018.db2.gz ZBUFSDCZGXBPNT-UHFFFAOYSA-N 1 2 326.375 2.263 20 30 EEEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)[C@@H]1CCCCO1)C1CC1 ZINC001493362178 1107990254 /nfs/dbraw/zinc/99/02/54/1107990254.db2.gz UQDMTJLUGLAGRI-SFHVURJKSA-N 1 2 327.428 2.208 20 30 EEEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)[C@@H]1CCCCO1)C1CC1 ZINC001493362178 1107990260 /nfs/dbraw/zinc/99/02/60/1107990260.db2.gz UQDMTJLUGLAGRI-SFHVURJKSA-N 1 2 327.428 2.208 20 30 EEEDLO C[N@H+](CC(=O)Nc1n[nH]c(-c2cccc(C#N)c2)n1)Cc1ccccc1 ZINC001458046059 1109825786 /nfs/dbraw/zinc/82/57/86/1109825786.db2.gz UWXRMLLFMCEQIF-UHFFFAOYSA-N 1 2 346.394 2.414 20 30 EEEDLO C[N@@H+](CC(=O)Nc1n[nH]c(-c2cccc(C#N)c2)n1)Cc1ccccc1 ZINC001458046059 1109825790 /nfs/dbraw/zinc/82/57/90/1109825790.db2.gz UWXRMLLFMCEQIF-UHFFFAOYSA-N 1 2 346.394 2.414 20 30 EEEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)CC(=O)N(CC)CCC#N ZINC000051452320 214095281 /nfs/dbraw/zinc/09/52/81/214095281.db2.gz IONCDNIRLIXARO-UHFFFAOYSA-N 1 2 344.459 2.408 20 30 EEEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)CC(=O)N(CC)CCC#N ZINC000051452320 214095283 /nfs/dbraw/zinc/09/52/83/214095283.db2.gz IONCDNIRLIXARO-UHFFFAOYSA-N 1 2 344.459 2.408 20 30 EEEDLO COc1ccc2c(c1)CCC[C@@H]2NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329500678 539775528 /nfs/dbraw/zinc/77/55/28/539775528.db2.gz ABUVGIGRPTZACA-OKZBNKHCSA-N 1 2 345.443 2.001 20 30 EEEDLO COc1ccc2c(c1)CCC[C@@H]2NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329500678 539775532 /nfs/dbraw/zinc/77/55/32/539775532.db2.gz ABUVGIGRPTZACA-OKZBNKHCSA-N 1 2 345.443 2.001 20 30 EEEDLO N#C[C@@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCO1 ZINC000106327981 237111673 /nfs/dbraw/zinc/11/16/73/237111673.db2.gz WWZBCWPAMRFAMK-MRXNPFEDSA-N 1 2 334.464 2.109 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(O)CC1 ZINC000108356617 237121414 /nfs/dbraw/zinc/12/14/14/237121414.db2.gz YWXVEJHIDQXCTO-CYBMUJFWSA-N 1 2 333.457 2.476 20 30 EEEDLO C[C@@H](NC(=O)C(C)(C)Cc1ccc(C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000455464710 296038633 /nfs/dbraw/zinc/03/86/33/296038633.db2.gz ONHXPZCQECDFRT-CVEARBPZSA-N 1 2 343.471 2.352 20 30 EEEDLO Cc1ccccc1CC(=O)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191294151 239021084 /nfs/dbraw/zinc/02/10/84/239021084.db2.gz BOJZWDGTLKQQLN-UHFFFAOYSA-N 1 2 336.439 2.092 20 30 EEEDLO C=CCCn1cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)nn1 ZINC000424762268 241037303 /nfs/dbraw/zinc/03/73/03/241037303.db2.gz OGLBDBNDXCIMRB-UHFFFAOYSA-N 1 2 342.447 2.383 20 30 EEEDLO N#Cc1ccccc1OCC[N@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000451795953 243264732 /nfs/dbraw/zinc/26/47/32/243264732.db2.gz KIKNJNJZKPVPKH-AWEZNQCLSA-N 1 2 337.370 2.173 20 30 EEEDLO N#Cc1ccccc1OCC[N@@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000451795953 243264737 /nfs/dbraw/zinc/26/47/37/243264737.db2.gz KIKNJNJZKPVPKH-AWEZNQCLSA-N 1 2 337.370 2.173 20 30 EEEDLO C=C(CC)CNC(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000455550300 244024691 /nfs/dbraw/zinc/02/46/91/244024691.db2.gz YGCOCLRYLXWOJT-HNNXBMFYSA-N 1 2 335.452 2.340 20 30 EEEDLO C=C(CC)CNC(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000455550300 244024695 /nfs/dbraw/zinc/02/46/95/244024695.db2.gz YGCOCLRYLXWOJT-HNNXBMFYSA-N 1 2 335.452 2.340 20 30 EEEDLO C=C[C@](C)(O)CC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000456574041 244293145 /nfs/dbraw/zinc/29/31/45/244293145.db2.gz BAUPIZNZFRDBAA-ZDUSSCGKSA-N 1 2 328.210 2.176 20 30 EEEDLO Cn1c2ccc(C[NH+]3CC(Oc4ccc(C#N)cc4)C3)cc2oc1=O ZINC000459620337 245191441 /nfs/dbraw/zinc/19/14/41/245191441.db2.gz VSMAXCRJFBIWJN-UHFFFAOYSA-N 1 2 335.363 2.266 20 30 EEEDLO C#C[C@@H](CC)NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000491569408 246077980 /nfs/dbraw/zinc/07/79/80/246077980.db2.gz VWUVAVRKJMPPES-ROUUACIJSA-N 1 2 329.444 2.079 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccccc2N(C)C)n1 ZINC000491516851 533219226 /nfs/dbraw/zinc/21/92/26/533219226.db2.gz VSITWSCUGNUUEC-UHFFFAOYSA-N 1 2 326.444 2.231 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccccc2N(C)C)n1 ZINC000491516851 533219229 /nfs/dbraw/zinc/21/92/29/533219229.db2.gz VSITWSCUGNUUEC-UHFFFAOYSA-N 1 2 326.444 2.231 20 30 EEEDLO CCc1nn(C)c(Cl)c1C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000267388737 256054753 /nfs/dbraw/zinc/05/47/53/256054753.db2.gz NBGXBFPVXCNZLN-UHFFFAOYSA-N 1 2 344.850 2.225 20 30 EEEDLO Cc1nscc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000272909185 256249025 /nfs/dbraw/zinc/24/90/25/256249025.db2.gz LJZMJKVZWYNCDS-UHFFFAOYSA-N 1 2 326.425 2.281 20 30 EEEDLO COc1cccc2c1CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)C2 ZINC000272935335 256250369 /nfs/dbraw/zinc/25/03/69/256250369.db2.gz KNSXOTRTIBCXMN-UHFFFAOYSA-N 1 2 335.407 2.241 20 30 EEEDLO COc1cccc2c1CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C2 ZINC000272935335 256250370 /nfs/dbraw/zinc/25/03/70/256250370.db2.gz KNSXOTRTIBCXMN-UHFFFAOYSA-N 1 2 335.407 2.241 20 30 EEEDLO C[C@H](CN[C@@H](C(N)=O)c1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000115596530 152033406 /nfs/dbraw/zinc/03/34/06/152033406.db2.gz FDGAJZBKUULZGF-FOIQADDNSA-N 1 2 348.450 2.121 20 30 EEEDLO C[C@H](CN[C@@H](C(N)=O)c1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000115596530 152033414 /nfs/dbraw/zinc/03/34/14/152033414.db2.gz FDGAJZBKUULZGF-FOIQADDNSA-N 1 2 348.450 2.121 20 30 EEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CNc2cccc(C#N)c2)C1 ZINC000121251607 292262785 /nfs/dbraw/zinc/26/27/85/292262785.db2.gz KRLNUIKPCAVVCC-INIZCTEOSA-N 1 2 337.427 2.185 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000083409156 159161950 /nfs/dbraw/zinc/16/19/50/159161950.db2.gz JPKZJGWFPJGLRG-OAHLLOKOSA-N 1 2 349.456 2.218 20 30 EEEDLO Cc1oc(NC(=O)CN2CC[C@H](Oc3cc[nH+]cc3)C2)c(C#N)c1C ZINC000156320451 292553707 /nfs/dbraw/zinc/55/37/07/292553707.db2.gz CPGDLGSIOPJVSH-HNNXBMFYSA-N 1 2 340.383 2.255 20 30 EEEDLO COCCCOC1CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000122674856 222135620 /nfs/dbraw/zinc/13/56/20/222135620.db2.gz GVOFGVMCHPMUAQ-UHFFFAOYSA-N 1 2 349.431 2.224 20 30 EEEDLO N#Cc1ccccc1CS(=O)(=O)Cc1[nH+]ccn1CC(F)(F)F ZINC000437230314 270020350 /nfs/dbraw/zinc/02/03/50/270020350.db2.gz BMLTVESZHREOFV-UHFFFAOYSA-N 1 2 343.330 2.432 20 30 EEEDLO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000330416397 267130394 /nfs/dbraw/zinc/13/03/94/267130394.db2.gz OCXPXOKFFVYWEE-CYBMUJFWSA-N 1 2 332.423 2.123 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCOCC3CC3)CC2)cc1 ZINC000434202512 268219156 /nfs/dbraw/zinc/21/91/56/268219156.db2.gz GCAJIDJIGRCIEN-UHFFFAOYSA-N 1 2 327.428 2.019 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)ccn12 ZINC000572854373 319883829 /nfs/dbraw/zinc/88/38/29/319883829.db2.gz AAAQVLWXQIMFRH-INIZCTEOSA-N 1 2 347.378 2.203 20 30 EEEDLO CC(C)(C#N)c1ccc(C(=O)NCC[N@@H+]2CCOCC2(C)C)cc1 ZINC000280442203 464205139 /nfs/dbraw/zinc/20/51/39/464205139.db2.gz FNPXESAMLAARDM-UHFFFAOYSA-N 1 2 329.444 2.328 20 30 EEEDLO CC(C)(C#N)c1ccc(C(=O)NCC[N@H+]2CCOCC2(C)C)cc1 ZINC000280442203 464205146 /nfs/dbraw/zinc/20/51/46/464205146.db2.gz FNPXESAMLAARDM-UHFFFAOYSA-N 1 2 329.444 2.328 20 30 EEEDLO C#CCN(C)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000292829759 464355910 /nfs/dbraw/zinc/35/59/10/464355910.db2.gz FESKFWHAYQLSAT-UHFFFAOYSA-N 1 2 335.205 2.180 20 30 EEEDLO N#Cc1cc(Br)cn(Cc2[nH+]ccn2C(F)F)c1=O ZINC000336807970 465046428 /nfs/dbraw/zinc/04/64/28/465046428.db2.gz ARERKBWVDWECQP-UHFFFAOYSA-N 1 2 329.104 2.122 20 30 EEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000328617307 465073472 /nfs/dbraw/zinc/07/34/72/465073472.db2.gz UBFQWGBVTNDWJQ-TUAOUCFPSA-N 1 2 346.353 2.062 20 30 EEEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+][C@@H]1CCCC12CCOCC2 ZINC000328647438 465087683 /nfs/dbraw/zinc/08/76/83/465087683.db2.gz HWMDVWFLBZJQHQ-LSDHHAIUSA-N 1 2 332.448 2.298 20 30 EEEDLO COc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)c(C)c1OC ZINC000347678998 465165235 /nfs/dbraw/zinc/16/52/35/465165235.db2.gz UFDWEESWCJPHQU-UHFFFAOYSA-N 1 2 347.459 2.060 20 30 EEEDLO CCn1ccnc1[C@@H](C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000296603001 465226961 /nfs/dbraw/zinc/22/69/61/465226961.db2.gz XUYJGBXDPSDYNH-PBHICJAKSA-N 1 2 337.427 2.226 20 30 EEEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ccc(F)cc3Cl)CC2)C1=O ZINC000337191357 465235276 /nfs/dbraw/zinc/23/52/76/465235276.db2.gz TZSXYRCHGWOVPQ-INIZCTEOSA-N 1 2 337.826 2.388 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2CC)C1=O ZINC000337198394 465239090 /nfs/dbraw/zinc/23/90/90/465239090.db2.gz AALQWADCCCFSLO-YOEHRIQHSA-N 1 2 329.444 2.295 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccccc2CC)C1=O ZINC000337198394 465239093 /nfs/dbraw/zinc/23/90/93/465239093.db2.gz AALQWADCCCFSLO-YOEHRIQHSA-N 1 2 329.444 2.295 20 30 EEEDLO C[C@@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000351608541 465249504 /nfs/dbraw/zinc/24/95/04/465249504.db2.gz NRXNBGDMAUQZTM-ZDUSSCGKSA-N 1 2 341.864 2.339 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](CCC)c2ccccc2)C1=O ZINC000337227600 465255140 /nfs/dbraw/zinc/25/51/40/465255140.db2.gz QGNVGJIYFVPNSP-ZWKOTPCHSA-N 1 2 343.471 2.363 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](CCC)c2ccccc2)C1=O ZINC000337227600 465255147 /nfs/dbraw/zinc/25/51/47/465255147.db2.gz QGNVGJIYFVPNSP-ZWKOTPCHSA-N 1 2 343.471 2.363 20 30 EEEDLO CC#CCN(C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000297471282 465258273 /nfs/dbraw/zinc/25/82/73/465258273.db2.gz UVIPZQRDNVTHBJ-GOSISDBHSA-N 1 2 329.444 2.033 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(CC)cc2)C1=O ZINC000337235660 465259020 /nfs/dbraw/zinc/25/90/20/465259020.db2.gz XPURMHJQUSQHOX-MAUKXSAKSA-N 1 2 343.471 2.145 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(CC)cc2)C1=O ZINC000337235660 465259022 /nfs/dbraw/zinc/25/90/22/465259022.db2.gz XPURMHJQUSQHOX-MAUKXSAKSA-N 1 2 343.471 2.145 20 30 EEEDLO C[C@@H]1COCCN1CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000337263956 465275302 /nfs/dbraw/zinc/27/53/02/465275302.db2.gz XJQUWGHGWIAWCW-OAHLLOKOSA-N 1 2 348.878 2.054 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)N[C@H](C)c2ccccc2OC)CC1 ZINC000341989155 465283136 /nfs/dbraw/zinc/28/31/36/465283136.db2.gz JLUPCBLTCMFTSB-OAHLLOKOSA-N 1 2 345.443 2.125 20 30 EEEDLO O=C(Nc1cccc(C(=O)N2CCn3cc[nH+]c3C2)c1)[C@H]1CCCO1 ZINC000329358416 465310908 /nfs/dbraw/zinc/31/09/08/465310908.db2.gz XCXILALXAGAWCS-OAHLLOKOSA-N 1 2 340.383 2.306 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCn2c[nH+]cc2C1 ZINC000590599671 468282838 /nfs/dbraw/zinc/28/28/38/468282838.db2.gz KMTKRIHGYMKFMF-NSHDSACASA-N 1 2 329.791 2.251 20 30 EEEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000568180823 468286547 /nfs/dbraw/zinc/28/65/47/468286547.db2.gz CWMJVCJBUSWMJM-CABCVRRESA-N 1 2 330.432 2.029 20 30 EEEDLO N#Cc1ccc(NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000045029462 462552035 /nfs/dbraw/zinc/55/20/35/462552035.db2.gz OHQFPFUITGPNTI-UHFFFAOYSA-N 1 2 337.383 2.112 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC[C@H]3CCCO3)CC2)cc1 ZINC000046148764 462653781 /nfs/dbraw/zinc/65/37/81/462653781.db2.gz ILLINZNMVIUQNN-GOSISDBHSA-N 1 2 327.428 2.162 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC1 ZINC000064443949 462703808 /nfs/dbraw/zinc/70/38/08/462703808.db2.gz PPBGHRBBWMKATJ-UHFFFAOYSA-N 1 2 328.460 2.297 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000130001772 462734859 /nfs/dbraw/zinc/73/48/59/462734859.db2.gz VAMIPVIXBNJDJZ-GOSISDBHSA-N 1 2 342.399 2.368 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000130001772 462734865 /nfs/dbraw/zinc/73/48/65/462734865.db2.gz VAMIPVIXBNJDJZ-GOSISDBHSA-N 1 2 342.399 2.368 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](C[C@@H](O)c3cccc(Cl)c3)CC2)c1 ZINC000075636976 462742918 /nfs/dbraw/zinc/74/29/18/462742918.db2.gz AGUKSYVLPHDOLR-QGZVFWFLSA-N 1 2 342.830 2.462 20 30 EEEDLO C[C@@H]1CCN(C(=O)Nc2ccn(CCC#N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000130592148 462766056 /nfs/dbraw/zinc/76/60/56/462766056.db2.gz ZHTQEUVEXINUMR-KGLIPLIRSA-N 1 2 327.392 2.108 20 30 EEEDLO CC(C)Cc1ccc(C(=O)C2CC[NH+](CC(=O)NCC#N)CC2)cc1 ZINC000066494431 462898681 /nfs/dbraw/zinc/89/86/81/462898681.db2.gz PIIOFGQVLYDLTF-UHFFFAOYSA-N 1 2 341.455 2.420 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc(C2CC2)s1 ZINC000091936878 462914620 /nfs/dbraw/zinc/91/46/20/462914620.db2.gz RUBCPDRUMVBFRB-GFCCVEGCSA-N 1 2 340.456 2.393 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc(C2CC2)s1 ZINC000091936878 462914624 /nfs/dbraw/zinc/91/46/24/462914624.db2.gz RUBCPDRUMVBFRB-GFCCVEGCSA-N 1 2 340.456 2.393 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN([C@H](C)c2cccnc2)CC1 ZINC000120391203 462994278 /nfs/dbraw/zinc/99/42/78/462994278.db2.gz FOZDDXLWNKZORL-QZTJIDSGSA-N 1 2 342.487 2.349 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000120391203 462994282 /nfs/dbraw/zinc/99/42/82/462994282.db2.gz FOZDDXLWNKZORL-QZTJIDSGSA-N 1 2 342.487 2.349 20 30 EEEDLO CC(C)(C)CCNC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000051621536 463043288 /nfs/dbraw/zinc/04/32/88/463043288.db2.gz VVLFIDVCQMCJJG-UHFFFAOYSA-N 1 2 342.487 2.228 20 30 EEEDLO C=C(C)CN(CC)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078316847 463103281 /nfs/dbraw/zinc/10/32/81/463103281.db2.gz KOXPHOHATNPIBV-SFHVURJKSA-N 1 2 331.460 2.495 20 30 EEEDLO C=C(C)CN(CC)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078316847 463103286 /nfs/dbraw/zinc/10/32/86/463103286.db2.gz KOXPHOHATNPIBV-SFHVURJKSA-N 1 2 331.460 2.495 20 30 EEEDLO N#CCCN(CCOc1ccccc1Cl)CC[NH+]1CCOCC1 ZINC000078686857 463140028 /nfs/dbraw/zinc/14/00/28/463140028.db2.gz ONIROZWKZYJICM-UHFFFAOYSA-N 1 2 337.851 2.267 20 30 EEEDLO CC(C)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000157645837 463153480 /nfs/dbraw/zinc/15/34/80/463153480.db2.gz OWZGCAVTILTJSZ-INIZCTEOSA-N 1 2 344.459 2.026 20 30 EEEDLO CC(C)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000157645837 463153486 /nfs/dbraw/zinc/15/34/86/463153486.db2.gz OWZGCAVTILTJSZ-INIZCTEOSA-N 1 2 344.459 2.026 20 30 EEEDLO C[C@H](NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2)c1cccs1 ZINC000158145881 463208919 /nfs/dbraw/zinc/20/89/19/463208919.db2.gz HXVYAMBQFACKIT-NSHDSACASA-N 1 2 345.424 2.197 20 30 EEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000029676731 463268139 /nfs/dbraw/zinc/26/81/39/463268139.db2.gz VZLPZGDJSYADRT-QGZVFWFLSA-N 1 2 340.471 2.077 20 30 EEEDLO Cn1cc(C[N@H+](C)CC(=O)Nc2ccccc2SCC#N)cn1 ZINC000032540064 463380574 /nfs/dbraw/zinc/38/05/74/463380574.db2.gz JSGPXFCTAJXKIA-UHFFFAOYSA-N 1 2 329.429 2.106 20 30 EEEDLO Cn1cc(C[N@@H+](C)CC(=O)Nc2ccccc2SCC#N)cn1 ZINC000032540064 463380578 /nfs/dbraw/zinc/38/05/78/463380578.db2.gz JSGPXFCTAJXKIA-UHFFFAOYSA-N 1 2 329.429 2.106 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCc1cccc(Cl)c1 ZINC000522192646 468361004 /nfs/dbraw/zinc/36/10/04/468361004.db2.gz CADJNLMAWYUVKT-UHFFFAOYSA-N 1 2 349.862 2.347 20 30 EEEDLO CCN(CC)C(=O)c1ccc(NC(=O)C[NH+]2CCC(C#N)CC2)cc1 ZINC000057907321 463527942 /nfs/dbraw/zinc/52/79/42/463527942.db2.gz RTXFWJSQPPQUPU-UHFFFAOYSA-N 1 2 342.443 2.343 20 30 EEEDLO C[C@@H]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@@H]1n1cc[nH+]c1 ZINC000127158085 463686712 /nfs/dbraw/zinc/68/67/12/463686712.db2.gz USZFYDLGNFZJAW-ZBFHGGJFSA-N 1 2 337.379 2.073 20 30 EEEDLO C=CCN(Cc1ccccc1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170837827 463720031 /nfs/dbraw/zinc/72/00/31/463720031.db2.gz LUOCFRAVHYQREC-UHFFFAOYSA-N 1 2 331.460 2.495 20 30 EEEDLO C=CCN(Cc1ccccc1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170837827 463720034 /nfs/dbraw/zinc/72/00/34/463720034.db2.gz LUOCFRAVHYQREC-UHFFFAOYSA-N 1 2 331.460 2.495 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c(Br)c1 ZINC000185191961 463774225 /nfs/dbraw/zinc/77/42/25/463774225.db2.gz FISGQXOSQKONIF-OAHLLOKOSA-N 1 2 337.217 2.312 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)c(Br)c1 ZINC000185191961 463774229 /nfs/dbraw/zinc/77/42/29/463774229.db2.gz FISGQXOSQKONIF-OAHLLOKOSA-N 1 2 337.217 2.312 20 30 EEEDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)o1 ZINC000541688378 468379102 /nfs/dbraw/zinc/37/91/02/468379102.db2.gz RUKDGRCHPXLAMG-OLZOCXBDSA-N 1 2 327.388 2.364 20 30 EEEDLO COc1cc2nc(C[NH+]3CCC(CC#N)CC3)[nH]c(=O)c2cc1OC ZINC000541952778 468383451 /nfs/dbraw/zinc/38/34/51/468383451.db2.gz ZUZONBGALQHDJA-UHFFFAOYSA-N 1 2 342.399 2.478 20 30 EEEDLO Cc1ccc([C@@H](CNC(=O)CC(C)(C)C#N)[NH+]2CCOCC2)cc1 ZINC000278277624 463959854 /nfs/dbraw/zinc/95/98/54/463959854.db2.gz PVCJAGGBGQQREN-QGZVFWFLSA-N 1 2 329.444 2.424 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278361419 463962519 /nfs/dbraw/zinc/96/25/19/463962519.db2.gz FGOIZSMKZCFKLG-OAHLLOKOSA-N 1 2 333.407 2.265 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278361419 463962526 /nfs/dbraw/zinc/96/25/26/463962526.db2.gz FGOIZSMKZCFKLG-OAHLLOKOSA-N 1 2 333.407 2.265 20 30 EEEDLO C[C@H](C(=O)N1CCCC1)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186281172 463967137 /nfs/dbraw/zinc/96/71/37/463967137.db2.gz DWFXQHSNMLGKEN-DLBZAZTESA-N 1 2 340.471 2.248 20 30 EEEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186281172 463967141 /nfs/dbraw/zinc/96/71/41/463967141.db2.gz DWFXQHSNMLGKEN-DLBZAZTESA-N 1 2 340.471 2.248 20 30 EEEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)O[NH+]=C(N)[C@H]1CCCO1 ZINC000283973402 464055214 /nfs/dbraw/zinc/05/52/14/464055214.db2.gz GKXAAEKKXBJMCG-TVQRCGJNSA-N 1 2 341.795 2.143 20 30 EEEDLO N#CCc1cccc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000172407964 464074473 /nfs/dbraw/zinc/07/44/73/464074473.db2.gz ZRLANQIABVDWDD-UHFFFAOYSA-N 1 2 335.407 2.416 20 30 EEEDLO C#Cc1ccccc1CC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000289595757 464087469 /nfs/dbraw/zinc/08/74/69/464087469.db2.gz UPADLUODJZSDGA-MRXNPFEDSA-N 1 2 349.434 2.147 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000591020240 468394463 /nfs/dbraw/zinc/39/44/63/468394463.db2.gz YVYCRAGRRMCNIB-ZWKOTPCHSA-N 1 2 326.444 2.106 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000279714531 464131739 /nfs/dbraw/zinc/13/17/39/464131739.db2.gz LJKQQAODZZEZME-RTBURBONSA-N 1 2 344.455 2.116 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCN(c3ccccc3F)C2=O)n1 ZINC000279765500 464145861 /nfs/dbraw/zinc/14/58/61/464145861.db2.gz SBLXPZCAPPXPCZ-SFHVURJKSA-N 1 2 340.402 2.283 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@H]2CCN(c3ccccc3F)C2=O)n1 ZINC000279765500 464145865 /nfs/dbraw/zinc/14/58/65/464145865.db2.gz SBLXPZCAPPXPCZ-SFHVURJKSA-N 1 2 340.402 2.283 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCN(c3ccccc3F)C2=O)n1 ZINC000279765496 464146103 /nfs/dbraw/zinc/14/61/03/464146103.db2.gz SBLXPZCAPPXPCZ-GOSISDBHSA-N 1 2 340.402 2.283 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCN(c3ccccc3F)C2=O)n1 ZINC000279765496 464146107 /nfs/dbraw/zinc/14/61/07/464146107.db2.gz SBLXPZCAPPXPCZ-GOSISDBHSA-N 1 2 340.402 2.283 20 30 EEEDLO C=CCOc1ccc(/C=C/C(=O)NCCc2[nH]cc[nH+]2)cc1OC ZINC000172990652 464174137 /nfs/dbraw/zinc/17/41/37/464174137.db2.gz RBNZTMJEYASBLB-FNORWQNLSA-N 1 2 327.384 2.355 20 30 EEEDLO CC(C)[C@@H](NC(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1ccc(F)cc1 ZINC000284527121 464229284 /nfs/dbraw/zinc/22/92/84/464229284.db2.gz UWAZOOPDLUIYRE-GDBMZVCRSA-N 1 2 337.395 2.107 20 30 EEEDLO C[N@H+](CCc1cnccn1)CC(=O)Nc1ccccc1SCC#N ZINC000271307335 464292284 /nfs/dbraw/zinc/29/22/84/464292284.db2.gz GXKJCPMEGOHWFO-UHFFFAOYSA-N 1 2 341.440 2.205 20 30 EEEDLO C[N@@H+](CCc1cnccn1)CC(=O)Nc1ccccc1SCC#N ZINC000271307335 464292289 /nfs/dbraw/zinc/29/22/89/464292289.db2.gz GXKJCPMEGOHWFO-UHFFFAOYSA-N 1 2 341.440 2.205 20 30 EEEDLO COc1cccc(C(N)=[NH+]OCC(=O)N(C)Cc2cccs2)c1 ZINC000174212082 464377981 /nfs/dbraw/zinc/37/79/81/464377981.db2.gz HUXYXHNQDYNFKC-UHFFFAOYSA-N 1 2 333.413 2.052 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C)C1=O ZINC000281241383 464383190 /nfs/dbraw/zinc/38/31/90/464383190.db2.gz GDPXFLOUZKJDBA-OAHLLOKOSA-N 1 2 335.835 2.306 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C)C1=O ZINC000281241383 464383196 /nfs/dbraw/zinc/38/31/96/464383196.db2.gz GDPXFLOUZKJDBA-OAHLLOKOSA-N 1 2 335.835 2.306 20 30 EEEDLO CNc1ccc(C#N)cc1NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000281267965 464393359 /nfs/dbraw/zinc/39/33/59/464393359.db2.gz VXIIBNPOEONAFR-QGZVFWFLSA-N 1 2 328.416 2.039 20 30 EEEDLO CNc1ccc(C#N)cc1NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000281267965 464393364 /nfs/dbraw/zinc/39/33/64/464393364.db2.gz VXIIBNPOEONAFR-QGZVFWFLSA-N 1 2 328.416 2.039 20 30 EEEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000264724361 464439436 /nfs/dbraw/zinc/43/94/36/464439436.db2.gz PQQRZASZDCXAMJ-KRWDZBQOSA-N 1 2 348.450 2.201 20 30 EEEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000264724361 464439443 /nfs/dbraw/zinc/43/94/43/464439443.db2.gz PQQRZASZDCXAMJ-KRWDZBQOSA-N 1 2 348.450 2.201 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)N(CC)c2ccccc2)C1=O ZINC000281493746 464478266 /nfs/dbraw/zinc/47/82/66/464478266.db2.gz XOHCANILPIDIEW-NVXWUHKLSA-N 1 2 329.444 2.147 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)N(CC)c2ccccc2)C1=O ZINC000281493746 464478272 /nfs/dbraw/zinc/47/82/72/464478272.db2.gz XOHCANILPIDIEW-NVXWUHKLSA-N 1 2 329.444 2.147 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)N2CCCc3ccccc32)C1=O ZINC000281509618 464484737 /nfs/dbraw/zinc/48/47/37/464484737.db2.gz YPHYFHOGFHDKBY-CRAIPNDOSA-N 1 2 341.455 2.073 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)N2CCCc3ccccc32)C1=O ZINC000281509618 464484740 /nfs/dbraw/zinc/48/47/40/464484740.db2.gz YPHYFHOGFHDKBY-CRAIPNDOSA-N 1 2 341.455 2.073 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1=O ZINC000281525617 464491533 /nfs/dbraw/zinc/49/15/33/464491533.db2.gz ZSJZXBWTPBMLLW-DAYGRLMNSA-N 1 2 341.455 2.071 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1=O ZINC000281525617 464491538 /nfs/dbraw/zinc/49/15/38/464491538.db2.gz ZSJZXBWTPBMLLW-DAYGRLMNSA-N 1 2 341.455 2.071 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccsc1Cl ZINC000189411529 464497629 /nfs/dbraw/zinc/49/76/29/464497629.db2.gz RYHMBVPZXVMQSO-UHFFFAOYSA-N 1 2 342.852 2.481 20 30 EEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000245796703 464516471 /nfs/dbraw/zinc/51/64/71/464516471.db2.gz OTFKLPOWQJBERQ-BZUAXINKSA-N 1 2 345.443 2.155 20 30 EEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000245796703 464516475 /nfs/dbraw/zinc/51/64/75/464516475.db2.gz OTFKLPOWQJBERQ-BZUAXINKSA-N 1 2 345.443 2.155 20 30 EEEDLO C#CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000285493134 464584958 /nfs/dbraw/zinc/58/49/58/464584958.db2.gz CLHCDINRSQHVRU-IBGZPJMESA-N 1 2 343.448 2.259 20 30 EEEDLO C#CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000285493134 464584964 /nfs/dbraw/zinc/58/49/64/464584964.db2.gz CLHCDINRSQHVRU-IBGZPJMESA-N 1 2 343.448 2.259 20 30 EEEDLO COc1cc(C(N)=[NH+]OCc2cc(C)on2)cc(Cl)c1OC ZINC000265530049 464593339 /nfs/dbraw/zinc/59/33/39/464593339.db2.gz UKWGQCHWXATIOQ-UHFFFAOYSA-N 1 2 325.752 2.491 20 30 EEEDLO CCCN(CC#N)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000265545854 464597265 /nfs/dbraw/zinc/59/72/65/464597265.db2.gz IHYXFXMOXGYZJW-OAHLLOKOSA-N 1 2 332.423 2.098 20 30 EEEDLO C[C@@](O)(C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1)C(F)(F)F ZINC000281894914 464625213 /nfs/dbraw/zinc/62/52/13/464625213.db2.gz OXLCJQNVTGYUON-HUUCEWRRSA-N 1 2 327.350 2.182 20 30 EEEDLO CCS(=O)(=O)CCCCCO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000190646898 464693832 /nfs/dbraw/zinc/69/38/32/464693832.db2.gz HCXMHRBVHUAKKG-UHFFFAOYSA-N 1 2 334.388 2.207 20 30 EEEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCCCC#N ZINC000273165838 464707049 /nfs/dbraw/zinc/70/70/49/464707049.db2.gz DEUMTJPJJWELJZ-KRWDZBQOSA-N 1 2 344.459 2.223 20 30 EEEDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)s1 ZINC000273582940 464720979 /nfs/dbraw/zinc/72/09/79/464720979.db2.gz HYNDGERDBLOWEH-GFCCVEGCSA-N 1 2 329.429 2.444 20 30 EEEDLO CC#CCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273719797 464724236 /nfs/dbraw/zinc/72/42/36/464724236.db2.gz RJEAFVLMZOGGFG-UHFFFAOYSA-N 1 2 335.205 2.228 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)Cc2cccc(C#N)c2)CC1(C)C ZINC000295172650 464732734 /nfs/dbraw/zinc/73/27/34/464732734.db2.gz ARYVJZFDADELEV-OAHLLOKOSA-N 1 2 344.440 2.205 20 30 EEEDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000492417546 468417057 /nfs/dbraw/zinc/41/70/57/468417057.db2.gz ARXHZTPVMDHQLC-VOTSOKGWSA-N 1 2 340.383 2.452 20 30 EEEDLO C=CC[N@@H+](Cc1nc2oc(C)c(C(=O)OCC)c2c(N)n1)C1CC1 ZINC000275486530 464775629 /nfs/dbraw/zinc/77/56/29/464775629.db2.gz ROQXGHZRPALNJG-UHFFFAOYSA-N 1 2 330.388 2.441 20 30 EEEDLO C=CC[N@H+](Cc1nc2oc(C)c(C(=O)OCC)c2c(N)n1)C1CC1 ZINC000275486530 464775636 /nfs/dbraw/zinc/77/56/36/464775636.db2.gz ROQXGHZRPALNJG-UHFFFAOYSA-N 1 2 330.388 2.441 20 30 EEEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000191120040 464781280 /nfs/dbraw/zinc/78/12/80/464781280.db2.gz DUGLYGVWTUOAPQ-GFCCVEGCSA-N 1 2 337.376 2.065 20 30 EEEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000191120040 464781285 /nfs/dbraw/zinc/78/12/85/464781285.db2.gz DUGLYGVWTUOAPQ-GFCCVEGCSA-N 1 2 337.376 2.065 20 30 EEEDLO COC(=O)[C@]1(C)CCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248771540 464799692 /nfs/dbraw/zinc/79/96/92/464799692.db2.gz SQPFGOGEGXRKLH-LPHOPBHVSA-N 1 2 341.411 2.081 20 30 EEEDLO COC(=O)[C@]1(C)CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248771540 464799696 /nfs/dbraw/zinc/79/96/96/464799696.db2.gz SQPFGOGEGXRKLH-LPHOPBHVSA-N 1 2 341.411 2.081 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2CC#Cc2ccc(F)cc2)O1 ZINC000282446016 464821182 /nfs/dbraw/zinc/82/11/82/464821182.db2.gz LMNBCGZFGQZJKM-NBMRYCAZSA-N 1 2 331.387 2.361 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2CC#Cc2ccc(F)cc2)O1 ZINC000282446016 464821187 /nfs/dbraw/zinc/82/11/87/464821187.db2.gz LMNBCGZFGQZJKM-NBMRYCAZSA-N 1 2 331.387 2.361 20 30 EEEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548001127 468426884 /nfs/dbraw/zinc/42/68/84/468426884.db2.gz TVVDRITXKUWDSJ-QGZVFWFLSA-N 1 2 335.411 2.467 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295516087 464865206 /nfs/dbraw/zinc/86/52/06/464865206.db2.gz IEICBHVUDXVJQK-BBRMVZONSA-N 1 2 344.415 2.048 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295516087 464865212 /nfs/dbraw/zinc/86/52/12/464865212.db2.gz IEICBHVUDXVJQK-BBRMVZONSA-N 1 2 344.415 2.048 20 30 EEEDLO C[C@@H]1CN=C(N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)S1 ZINC000267464603 464933701 /nfs/dbraw/zinc/93/37/01/464933701.db2.gz ULMVUMHEKTYGEW-CQSZACIVSA-N 1 2 330.457 2.198 20 30 EEEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC2(C1)CCCCC2 ZINC000329440295 465333528 /nfs/dbraw/zinc/33/35/28/465333528.db2.gz ADMAEEKRLHNIHW-UHFFFAOYSA-N 1 2 347.463 2.027 20 30 EEEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)[nH]1 ZINC000329483866 465348909 /nfs/dbraw/zinc/34/89/09/465348909.db2.gz SCVDFCHUEHTNQU-GFCCVEGCSA-N 1 2 343.387 2.309 20 30 EEEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)[nH]1 ZINC000329483866 465348910 /nfs/dbraw/zinc/34/89/10/465348910.db2.gz SCVDFCHUEHTNQU-GFCCVEGCSA-N 1 2 343.387 2.309 20 30 EEEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)n1 ZINC000329483866 465348913 /nfs/dbraw/zinc/34/89/13/465348913.db2.gz SCVDFCHUEHTNQU-GFCCVEGCSA-N 1 2 343.387 2.309 20 30 EEEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)n1 ZINC000329483866 465348916 /nfs/dbraw/zinc/34/89/16/465348916.db2.gz SCVDFCHUEHTNQU-GFCCVEGCSA-N 1 2 343.387 2.309 20 30 EEEDLO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2nc(C)no2)c(OC)c1 ZINC000348076820 465408257 /nfs/dbraw/zinc/40/82/57/465408257.db2.gz KGYSYUAXVDKTME-DOMZBBRYSA-N 1 2 347.415 2.206 20 30 EEEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H]2CCc3c[nH]nc3C2)C1 ZINC000329867190 465457826 /nfs/dbraw/zinc/45/78/26/465457826.db2.gz VQHRLFDVYNJJOU-LSDHHAIUSA-N 1 2 342.447 2.277 20 30 EEEDLO C=CCCCCCN(C)C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000298679702 465469209 /nfs/dbraw/zinc/46/92/09/465469209.db2.gz YBJUPIHFCHEQQT-OAHLLOKOSA-N 1 2 332.448 2.321 20 30 EEEDLO CCN1CCN(C(=O)NC2Cc3ccccc3C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329940956 465481852 /nfs/dbraw/zinc/48/18/52/465481852.db2.gz BWVCOAFAYUXZHQ-KRWDZBQOSA-N 1 2 339.443 2.170 20 30 EEEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCN2CCCC2=O)CC1 ZINC000348328708 465553059 /nfs/dbraw/zinc/55/30/59/465553059.db2.gz VPRZMUVYPCXPAB-QGZVFWFLSA-N 1 2 346.862 2.145 20 30 EEEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CCOC[C@H](C2CCC2)C1 ZINC000330189534 465562309 /nfs/dbraw/zinc/56/23/09/465562309.db2.gz LVDSPEUACLRMQD-RHSMWYFYSA-N 1 2 334.464 2.490 20 30 EEEDLO O=C(Nc1nc(CN2CCOCC2)cs1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330255196 465586530 /nfs/dbraw/zinc/58/65/30/465586530.db2.gz JVFKSOFBPJTYHV-AWEZNQCLSA-N 1 2 336.461 2.190 20 30 EEEDLO O=C(Nc1nc(CN2CCOCC2)cs1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330255196 465586538 /nfs/dbraw/zinc/58/65/38/465586538.db2.gz JVFKSOFBPJTYHV-AWEZNQCLSA-N 1 2 336.461 2.190 20 30 EEEDLO C=C(C)COc1cccc(N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)c1 ZINC000348655259 465729634 /nfs/dbraw/zinc/72/96/34/465729634.db2.gz BTBLRPCPVOIPOO-HNNXBMFYSA-N 1 2 326.356 2.032 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CCC(C)(C)C#N)c1ccccc1 ZINC000554897826 468449504 /nfs/dbraw/zinc/44/95/04/468449504.db2.gz CRWBANKTDONVQA-OAHLLOKOSA-N 1 2 346.456 2.369 20 30 EEEDLO C[C@@H]1CCN(C([O-])=[NH+]CCOCC(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000330943976 465868585 /nfs/dbraw/zinc/86/85/85/465868585.db2.gz GAIIXICJKIIDNE-VXGBXAGGSA-N 1 2 334.342 2.259 20 30 EEEDLO C#CCNC(=O)c1ccc(NCc2cccc(Cn3cc[nH+]c3)c2)nc1 ZINC000301219909 465921484 /nfs/dbraw/zinc/92/14/84/465921484.db2.gz AOVVZHSFGUUUOY-UHFFFAOYSA-N 1 2 345.406 2.302 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000366764689 465922779 /nfs/dbraw/zinc/92/27/79/465922779.db2.gz OOERPUKVZAEIJJ-QGZVFWFLSA-N 1 2 341.436 2.332 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000366764689 465922784 /nfs/dbraw/zinc/92/27/84/465922784.db2.gz OOERPUKVZAEIJJ-QGZVFWFLSA-N 1 2 341.436 2.332 20 30 EEEDLO CCC(=O)c1cccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1 ZINC000331161961 465962533 /nfs/dbraw/zinc/96/25/33/465962533.db2.gz GHMONQQKVVNVHF-UONOGXRCSA-N 1 2 333.432 2.212 20 30 EEEDLO CCC(=O)c1cccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1 ZINC000331161961 465962541 /nfs/dbraw/zinc/96/25/41/465962541.db2.gz GHMONQQKVVNVHF-UONOGXRCSA-N 1 2 333.432 2.212 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCC2CCCCC2)CC1 ZINC000361402507 465964014 /nfs/dbraw/zinc/96/40/14/465964014.db2.gz DZCHJKCCRUZYJO-UHFFFAOYSA-N 1 2 347.503 2.021 20 30 EEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCC2CCCCC2)CC1 ZINC000361402507 465964021 /nfs/dbraw/zinc/96/40/21/465964021.db2.gz DZCHJKCCRUZYJO-UHFFFAOYSA-N 1 2 347.503 2.021 20 30 EEEDLO C=CC[NH+]1CCC(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000301884500 466052628 /nfs/dbraw/zinc/05/26/28/466052628.db2.gz LPAVTFKMXQOOGP-UHFFFAOYSA-N 1 2 339.417 2.061 20 30 EEEDLO Cc1cc(=O)n2nc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)sc2n1 ZINC000338360256 466058584 /nfs/dbraw/zinc/05/85/84/466058584.db2.gz PVVYXCLNAIVULB-NSHDSACASA-N 1 2 325.397 2.182 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2Cc2cccc(C#N)c2F)O1 ZINC000338375427 466071146 /nfs/dbraw/zinc/07/11/46/466071146.db2.gz GCRMOKJCVNYKFM-FWYOQMDTSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2Cc2cccc(C#N)c2F)O1 ZINC000338375427 466071156 /nfs/dbraw/zinc/07/11/56/466071156.db2.gz GCRMOKJCVNYKFM-FWYOQMDTSA-N 1 2 332.375 2.381 20 30 EEEDLO Cn1nccc1[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000363095695 466215632 /nfs/dbraw/zinc/21/56/32/466215632.db2.gz NWKKOKXQFKWLAP-CYBMUJFWSA-N 1 2 329.429 2.171 20 30 EEEDLO Cn1nccc1[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000363095695 466215636 /nfs/dbraw/zinc/21/56/36/466215636.db2.gz NWKKOKXQFKWLAP-CYBMUJFWSA-N 1 2 329.429 2.171 20 30 EEEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3cncc4ccccc43)CC2)C1=O ZINC000338564767 466222977 /nfs/dbraw/zinc/22/29/77/466222977.db2.gz BJRWQAIDKMJJGC-GOSISDBHSA-N 1 2 336.439 2.144 20 30 EEEDLO N#CC1(CS(=O)(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCC1 ZINC000354103757 466342091 /nfs/dbraw/zinc/34/20/91/466342091.db2.gz HQMGYHRSYCQNFU-UHFFFAOYSA-N 1 2 344.440 2.045 20 30 EEEDLO C=CC[C@H](CC)NC(=O)[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000347159008 466439074 /nfs/dbraw/zinc/43/90/74/466439074.db2.gz QJLDKBRAUFOHOX-DHSIGJKJSA-N 1 2 344.459 2.333 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000332448324 466543397 /nfs/dbraw/zinc/54/33/97/466543397.db2.gz DPYHFMDVFIUNFV-CQSZACIVSA-N 1 2 327.428 2.481 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000332448324 466543403 /nfs/dbraw/zinc/54/34/03/466543403.db2.gz DPYHFMDVFIUNFV-CQSZACIVSA-N 1 2 327.428 2.481 20 30 EEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347387761 466605015 /nfs/dbraw/zinc/60/50/15/466605015.db2.gz ZCADAPISOTVPLB-HILOLKJVSA-N 1 2 339.455 2.102 20 30 EEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@](F)(CO)C1 ZINC000347387761 466605023 /nfs/dbraw/zinc/60/50/23/466605023.db2.gz ZCADAPISOTVPLB-HILOLKJVSA-N 1 2 339.455 2.102 20 30 EEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000368522919 466659315 /nfs/dbraw/zinc/65/93/15/466659315.db2.gz BHSHFRATNJMMSO-GFCCVEGCSA-N 1 2 336.804 2.461 20 30 EEEDLO CCCCCCCS(=O)(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000375624829 466851007 /nfs/dbraw/zinc/85/10/07/466851007.db2.gz QWQVTAGZVJXREO-CVEARBPZSA-N 1 2 332.510 2.082 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000370622599 466944071 /nfs/dbraw/zinc/94/40/71/466944071.db2.gz PNQGFALYCPEKNV-OAHLLOKOSA-N 1 2 335.411 2.102 20 30 EEEDLO COC(=O)[C@@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000412059506 466988694 /nfs/dbraw/zinc/98/86/94/466988694.db2.gz CPCCTRWDKUCERH-XIKOKIGWSA-N 1 2 347.415 2.370 20 30 EEEDLO COC(=O)[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000412059506 466988699 /nfs/dbraw/zinc/98/86/99/466988699.db2.gz CPCCTRWDKUCERH-XIKOKIGWSA-N 1 2 347.415 2.370 20 30 EEEDLO COC(=O)[C@]1(C)CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000412059736 466988920 /nfs/dbraw/zinc/98/89/20/466988920.db2.gz DBIVLBVQVFXRIA-SUMWQHHRSA-N 1 2 347.440 2.000 20 30 EEEDLO COC(=O)[C@]1(C)CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000412059736 466988924 /nfs/dbraw/zinc/98/89/24/466988924.db2.gz DBIVLBVQVFXRIA-SUMWQHHRSA-N 1 2 347.440 2.000 20 30 EEEDLO Cc1cc(NCCCS(=O)(=O)Cc2ccccc2)c(C#N)c[nH+]1 ZINC000425209858 467088643 /nfs/dbraw/zinc/08/86/43/467088643.db2.gz SINVIVFRGSCSNA-UHFFFAOYSA-N 1 2 329.425 2.101 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000378443416 467304190 /nfs/dbraw/zinc/30/41/90/467304190.db2.gz IGNMCUNNCVZVDK-OAHLLOKOSA-N 1 2 335.452 2.082 20 30 EEEDLO COc1cccc(Br)c1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414156828 467383978 /nfs/dbraw/zinc/38/39/78/467383978.db2.gz XATQAPHQBILKTE-LLVKDONJSA-N 1 2 343.221 2.043 20 30 EEEDLO COc1cccc(Br)c1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414156828 467383982 /nfs/dbraw/zinc/38/39/82/467383982.db2.gz XATQAPHQBILKTE-LLVKDONJSA-N 1 2 343.221 2.043 20 30 EEEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000407972510 467487764 /nfs/dbraw/zinc/48/77/64/467487764.db2.gz MELAILUUMDWTOW-CALCHBBNSA-N 1 2 340.471 2.470 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)C[NH+]2CC(OC(F)F)C2)c(OC)c1 ZINC000435876926 467501060 /nfs/dbraw/zinc/50/10/60/467501060.db2.gz LSMRSNNHMHWMCN-CYBMUJFWSA-N 1 2 343.370 2.087 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000437629359 467557112 /nfs/dbraw/zinc/55/71/12/467557112.db2.gz OVFUNNWXCGVMFX-WMLDXEAASA-N 1 2 328.416 2.157 20 30 EEEDLO C=C(C)CCNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000454370515 467588384 /nfs/dbraw/zinc/58/83/84/467588384.db2.gz KFJLUUXSYBTQEH-UHFFFAOYSA-N 1 2 347.459 2.163 20 30 EEEDLO C[C@H]1C[C@]1(C#N)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000448764167 467600723 /nfs/dbraw/zinc/60/07/23/467600723.db2.gz KIXRGQZXGKFFIB-LKFCYVNXSA-N 1 2 333.189 2.263 20 30 EEEDLO CCCOc1ccc2c(c1)CC[N@@H+](CC(=O)NC1(C#N)CCC1)C2 ZINC000527384957 467660886 /nfs/dbraw/zinc/66/08/86/467660886.db2.gz KHHHYJNJNLYSRC-UHFFFAOYSA-N 1 2 327.428 2.396 20 30 EEEDLO CCCOc1ccc2c(c1)CC[N@H+](CC(=O)NC1(C#N)CCC1)C2 ZINC000527384957 467660889 /nfs/dbraw/zinc/66/08/89/467660889.db2.gz KHHHYJNJNLYSRC-UHFFFAOYSA-N 1 2 327.428 2.396 20 30 EEEDLO COCCN(CC#N)C(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000457209336 467777618 /nfs/dbraw/zinc/77/76/18/467777618.db2.gz YQMITGFYRNAMTA-UHFFFAOYSA-N 1 2 326.400 2.302 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)C=Cc3c[nH]c[nH+]3)C2)c(F)c1 ZINC000492896987 467787903 /nfs/dbraw/zinc/78/79/03/467787903.db2.gz JSXYDSTUWKXOAG-CSPWOOARSA-N 1 2 339.374 2.219 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)CCCO1 ZINC000497105739 467837412 /nfs/dbraw/zinc/83/74/12/467837412.db2.gz HWGQKJSGKBFCQH-LSDHHAIUSA-N 1 2 336.436 2.046 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)CCCO1 ZINC000497105739 467837416 /nfs/dbraw/zinc/83/74/16/467837416.db2.gz HWGQKJSGKBFCQH-LSDHHAIUSA-N 1 2 336.436 2.046 20 30 EEEDLO C[C@H](NC(=O)c1ccc(C#N)s1)C1([NH+]2CCOCC2)CCCC1 ZINC000489001189 468115739 /nfs/dbraw/zinc/11/57/39/468115739.db2.gz IDYKCIXMUVKESU-ZDUSSCGKSA-N 1 2 333.457 2.383 20 30 EEEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000548788322 468136646 /nfs/dbraw/zinc/13/66/46/468136646.db2.gz IHRCOUFTSCJQNH-AEFFLSMTSA-N 1 2 340.427 2.129 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1c(Cl)cccc1Cl ZINC000567995520 468253318 /nfs/dbraw/zinc/25/33/18/468253318.db2.gz MVJKMZBSWGEMKT-CQSZACIVSA-N 1 2 330.215 2.332 20 30 EEEDLO CC(C)(C)n1nnc(C[NH2+]Cc2cccc(OCCCC#N)c2)n1 ZINC000594513695 468613962 /nfs/dbraw/zinc/61/39/62/468613962.db2.gz FJDTYKMKKKSCKY-UHFFFAOYSA-N 1 2 328.420 2.400 20 30 EEEDLO N#C[C@@H](CCc1ccccc1)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597707026 468646106 /nfs/dbraw/zinc/64/61/06/468646106.db2.gz MIESQNRWHWMLIL-MOPGFXCFSA-N 1 2 341.455 2.082 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000571170129 468751103 /nfs/dbraw/zinc/75/11/03/468751103.db2.gz VIRKRIBQWJNNIW-MRXNPFEDSA-N 1 2 331.807 2.099 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)s1 ZINC000595391951 468836589 /nfs/dbraw/zinc/83/65/89/468836589.db2.gz CPSHYNOASJUTMF-AWEZNQCLSA-N 1 2 347.465 2.173 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)s1 ZINC000595391951 468836592 /nfs/dbraw/zinc/83/65/92/468836592.db2.gz CPSHYNOASJUTMF-AWEZNQCLSA-N 1 2 347.465 2.173 20 30 EEEDLO COc1ccccc1-c1nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cs1 ZINC000593155510 468889248 /nfs/dbraw/zinc/88/92/48/468889248.db2.gz YENVRWURLVXCDF-QGZVFWFLSA-N 1 2 344.440 2.392 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000562582780 468997412 /nfs/dbraw/zinc/99/74/12/468997412.db2.gz BKAZAMFNSCMDJG-PMPSAXMXSA-N 1 2 326.400 2.152 20 30 EEEDLO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)Cc1c(F)cccc1C#N ZINC000586809558 469072302 /nfs/dbraw/zinc/07/23/02/469072302.db2.gz RFFGBTMSAQMZSI-CYBMUJFWSA-N 1 2 326.375 2.157 20 30 EEEDLO N#Cc1ccc(NC(=O)C[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000610846705 469088259 /nfs/dbraw/zinc/08/82/59/469088259.db2.gz CTHJRQKKICTMKD-UHFFFAOYSA-N 1 2 331.379 2.472 20 30 EEEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)CCCCCC#N)cn1 ZINC000593687504 469095791 /nfs/dbraw/zinc/09/57/91/469095791.db2.gz DNGQFEOPGCYEDB-UHFFFAOYSA-N 1 2 328.420 2.119 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000573657355 469178347 /nfs/dbraw/zinc/17/83/47/469178347.db2.gz YDZWRMQFRGXGAD-SJORKVTESA-N 1 2 326.400 2.074 20 30 EEEDLO Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCN(CCC#N)CC2)c(C)c1 ZINC000611173725 469180819 /nfs/dbraw/zinc/18/08/19/469180819.db2.gz IEFUKEGMYUXBQE-QGZVFWFLSA-N 1 2 328.460 2.470 20 30 EEEDLO COC(=O)c1ccc(NCC2CC[NH+](CC(F)F)CC2)c(C#N)n1 ZINC000596240408 469218599 /nfs/dbraw/zinc/21/85/99/469218599.db2.gz XOOSYERQFNSRNR-UHFFFAOYSA-N 1 2 338.358 2.129 20 30 EEEDLO N#CC1(CNC(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CC1 ZINC000573873718 469222190 /nfs/dbraw/zinc/22/21/90/469222190.db2.gz KQJUYLSDAHVCQR-UHFFFAOYSA-N 1 2 336.351 2.232 20 30 EEEDLO CC(C)[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)C(=O)OC(C)(C)C ZINC000599354391 469224169 /nfs/dbraw/zinc/22/41/69/469224169.db2.gz UZFUCQMRXNCOGH-DOTOQJQBSA-N 1 2 348.443 2.254 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1cc(Br)cs1 ZINC000565428275 469273571 /nfs/dbraw/zinc/27/35/71/469273571.db2.gz NHGZHZPOIYNWLY-ZDUSSCGKSA-N 1 2 344.278 2.403 20 30 EEEDLO C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000563365251 469237821 /nfs/dbraw/zinc/23/78/21/469237821.db2.gz PQHYJQKMTARHPN-AWEZNQCLSA-N 1 2 346.862 2.413 20 30 EEEDLO C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000563365251 469237827 /nfs/dbraw/zinc/23/78/27/469237827.db2.gz PQHYJQKMTARHPN-AWEZNQCLSA-N 1 2 346.862 2.413 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000574039939 469250842 /nfs/dbraw/zinc/25/08/42/469250842.db2.gz DLKFJNZXTJJORJ-CJNGLKHVSA-N 1 2 335.354 2.473 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[C@](F)(C#N)C1 ZINC000615534981 469256580 /nfs/dbraw/zinc/25/65/80/469256580.db2.gz IIWSJJVCYSFYRA-KRWDZBQOSA-N 1 2 329.379 2.382 20 30 EEEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000599579268 469297853 /nfs/dbraw/zinc/29/78/53/469297853.db2.gz DHDVJENIMNBQRI-HUUCEWRRSA-N 1 2 336.432 2.277 20 30 EEEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000599579268 469297857 /nfs/dbraw/zinc/29/78/57/469297857.db2.gz DHDVJENIMNBQRI-HUUCEWRRSA-N 1 2 336.432 2.277 20 30 EEEDLO C=CCCSCCNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000596717041 469342454 /nfs/dbraw/zinc/34/24/54/469342454.db2.gz DFYGGMMNCJOBKQ-CYBMUJFWSA-N 1 2 340.493 2.088 20 30 EEEDLO COC1(CO)CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000618551734 469386756 /nfs/dbraw/zinc/38/67/56/469386756.db2.gz PSAKRGJKKNCDQH-UHFFFAOYSA-N 1 2 340.427 2.026 20 30 EEEDLO N#Cc1ccc(SCC(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1 ZINC000609354838 469922381 /nfs/dbraw/zinc/92/23/81/469922381.db2.gz QVJBFEWDHWXFLX-UHFFFAOYSA-N 1 2 325.393 2.335 20 30 EEEDLO C=CCCC(C)(C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000620856960 469935894 /nfs/dbraw/zinc/93/58/94/469935894.db2.gz HQCJZGFIZBJOEG-HNNXBMFYSA-N 1 2 334.464 2.344 20 30 EEEDLO C=CCCC(C)(C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000620856960 469935897 /nfs/dbraw/zinc/93/58/97/469935897.db2.gz HQCJZGFIZBJOEG-HNNXBMFYSA-N 1 2 334.464 2.344 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2c(C)cccc2C)nn1 ZINC000640887584 471094784 /nfs/dbraw/zinc/09/47/84/471094784.db2.gz IBKZMANAUCUAPW-HNNXBMFYSA-N 1 2 325.416 2.208 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)nn1 ZINC000657358105 471111699 /nfs/dbraw/zinc/11/16/99/471111699.db2.gz VOGFRRRSHNXHDW-OAHLLOKOSA-N 1 2 345.834 2.403 20 30 EEEDLO C=C[C@H](O)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000666330857 471359687 /nfs/dbraw/zinc/35/96/87/471359687.db2.gz BRDAEINVNZRZHU-KGLIPLIRSA-N 1 2 326.799 2.279 20 30 EEEDLO C=CCCC(C)(C)NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000663540965 471418064 /nfs/dbraw/zinc/41/80/64/471418064.db2.gz XMQARZRZFPBKRC-UHFFFAOYSA-N 1 2 332.448 2.462 20 30 EEEDLO C=CCCNC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000666823525 471549499 /nfs/dbraw/zinc/54/94/99/471549499.db2.gz NGMDUVIPYJGGES-UHFFFAOYSA-N 1 2 330.432 2.048 20 30 EEEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@H]1COCCO1 ZINC000661609033 471823488 /nfs/dbraw/zinc/82/34/88/471823488.db2.gz YUZNXGUUPVPPOO-HNNXBMFYSA-N 1 2 341.411 2.085 20 30 EEEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@H]1COCCO1 ZINC000661609033 471823492 /nfs/dbraw/zinc/82/34/92/471823492.db2.gz YUZNXGUUPVPPOO-HNNXBMFYSA-N 1 2 341.411 2.085 20 30 EEEDLO CC#CCCCC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000680996151 486109460 /nfs/dbraw/zinc/10/94/60/486109460.db2.gz NSWLOIUKAGYILH-UHFFFAOYSA-N 1 2 327.428 2.206 20 30 EEEDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000174734800 533738294 /nfs/dbraw/zinc/73/82/94/533738294.db2.gz BICAWYSYIXLDDX-AWEZNQCLSA-N 1 2 329.425 2.291 20 30 EEEDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000174734800 533738300 /nfs/dbraw/zinc/73/83/00/533738300.db2.gz BICAWYSYIXLDDX-AWEZNQCLSA-N 1 2 329.425 2.291 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106582043 526370869 /nfs/dbraw/zinc/37/08/69/526370869.db2.gz JDILBIZHMJHJFG-HNNXBMFYSA-N 1 2 336.505 2.082 20 30 EEEDLO C=C(C)CN(C)C(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000350195093 526482734 /nfs/dbraw/zinc/48/27/34/526482734.db2.gz VSOHHUCHKHZVIC-OAHLLOKOSA-N 1 2 345.443 2.053 20 30 EEEDLO C=CCOc1cccc(NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000105017783 526916260 /nfs/dbraw/zinc/91/62/60/526916260.db2.gz UZFAZUBIKHCGHT-GJZGRUSLSA-N 1 2 333.432 2.482 20 30 EEEDLO C=CCCC(=O)N1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000178014505 527071163 /nfs/dbraw/zinc/07/11/63/527071163.db2.gz BHJMNUAAFPCABG-UHFFFAOYSA-N 1 2 348.443 2.323 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000173783288 527112455 /nfs/dbraw/zinc/11/24/55/527112455.db2.gz NRQHDJNBWCHURH-UONOGXRCSA-N 1 2 349.406 2.068 20 30 EEEDLO CC(C)c1nc([C@@H]2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)no1 ZINC000360160373 528305459 /nfs/dbraw/zinc/30/54/59/528305459.db2.gz YHYAEBSORWJOEM-ACJLOTCBSA-N 1 2 345.447 2.181 20 30 EEEDLO CC(C)c1nc([C@@H]2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)no1 ZINC000360160373 528305464 /nfs/dbraw/zinc/30/54/64/528305464.db2.gz YHYAEBSORWJOEM-ACJLOTCBSA-N 1 2 345.447 2.181 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3cc(C)ccc3OC)CC2)cn1 ZINC000728803737 576530891 /nfs/dbraw/zinc/53/08/91/576530891.db2.gz DABBASPVZRDKGP-UHFFFAOYSA-N 1 2 349.434 2.338 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)nc1 ZINC000728805921 576531241 /nfs/dbraw/zinc/53/12/41/576531241.db2.gz KQDKVNUMBXQAAP-HXUWFJFHSA-N 1 2 349.434 2.175 20 30 EEEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)N3CCCCC3)CC2)cc1 ZINC000731210605 577086664 /nfs/dbraw/zinc/08/66/64/577086664.db2.gz VDKSSRCBDROIIU-UHFFFAOYSA-N 1 2 342.443 2.312 20 30 EEEDLO CN(C)C(=S)N[NH+]=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000731561249 577108209 /nfs/dbraw/zinc/10/82/09/577108209.db2.gz WBRSWQMXNIOZSD-UHFFFAOYSA-N 1 2 335.433 2.355 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)NC2CCCCCCC2)CC1 ZINC000731845636 577127474 /nfs/dbraw/zinc/12/74/74/577127474.db2.gz CISQCRLQHQCTHJ-GOSISDBHSA-N 1 2 334.508 2.381 20 30 EEEDLO Cc1cc[nH+]cc1CCC=NN=C1NS(=O)(=O)c2ccccc21 ZINC000776723749 577466519 /nfs/dbraw/zinc/46/65/19/577466519.db2.gz LELCMJZLGQDHSL-UHFFFAOYSA-N 1 2 328.397 2.047 20 30 EEEDLO N#CCc1ccccc1CC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000776786701 577468080 /nfs/dbraw/zinc/46/80/80/577468080.db2.gz ZYSAJIYGNVWQIS-UHFFFAOYSA-N 1 2 331.379 2.192 20 30 EEEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000766663830 577523038 /nfs/dbraw/zinc/52/30/38/577523038.db2.gz MRXNMSASTMJODZ-MRXNPFEDSA-N 1 2 347.418 2.393 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000766663830 577523039 /nfs/dbraw/zinc/52/30/39/577523039.db2.gz MRXNMSASTMJODZ-MRXNPFEDSA-N 1 2 347.418 2.393 20 30 EEEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]NC1CCOCC1 ZINC000757585310 577860721 /nfs/dbraw/zinc/86/07/21/577860721.db2.gz GCJHNGZYBRNDKP-UHFFFAOYSA-N 1 2 349.394 2.063 20 30 EEEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)NCCC#N)CC1 ZINC000743855616 577890709 /nfs/dbraw/zinc/89/07/09/577890709.db2.gz TYLXJILEXLNTOT-CQSZACIVSA-N 1 2 334.851 2.048 20 30 EEEDLO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cn1nc2ccccn2c1=O ZINC000746055899 577921739 /nfs/dbraw/zinc/92/17/39/577921739.db2.gz KGYJJFRNVZIOEE-UHFFFAOYSA-N 1 2 335.411 2.483 20 30 EEEDLO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cn1nc2ccccn2c1=O ZINC000746055899 577921740 /nfs/dbraw/zinc/92/17/40/577921740.db2.gz KGYJJFRNVZIOEE-UHFFFAOYSA-N 1 2 335.411 2.483 20 30 EEEDLO N#Cc1ccccc1N1CC[NH+](CN2C(=O)[C@H]3CCCCC[C@@H]32)CC1 ZINC000749949119 577984338 /nfs/dbraw/zinc/98/43/38/577984338.db2.gz VMVJTOBWCHGYMF-HKUYNNGSSA-N 1 2 338.455 2.429 20 30 EEEDLO C#CCSCCNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000740076366 578079809 /nfs/dbraw/zinc/07/98/09/578079809.db2.gz XJJCMVHTKPQIKI-TWGQIWQCSA-N 1 2 343.496 2.393 20 30 EEEDLO C[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000741148194 578113808 /nfs/dbraw/zinc/11/38/08/578113808.db2.gz YPOFNOIASKRPIF-NVXWUHKLSA-N 1 2 343.427 2.349 20 30 EEEDLO C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000741148194 578113809 /nfs/dbraw/zinc/11/38/09/578113809.db2.gz YPOFNOIASKRPIF-NVXWUHKLSA-N 1 2 343.427 2.349 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC000969464147 675059722 /nfs/dbraw/zinc/05/97/22/675059722.db2.gz FYZIEYUCKBLXGO-JTDSTZFVSA-N 1 2 344.459 2.077 20 30 EEEDLO CC(C)c1ocnc1C[NH+]1CC([C@@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000969527405 675089566 /nfs/dbraw/zinc/08/95/66/675089566.db2.gz WAWQDLJVJUGEPE-GFCCVEGCSA-N 1 2 341.415 2.248 20 30 EEEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](CC=C(Cl)Cl)C1 ZINC000969525752 675092344 /nfs/dbraw/zinc/09/23/44/675092344.db2.gz FCKXKSBOUJWEEQ-VIFPVBQESA-N 1 2 327.215 2.255 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000969542078 675098001 /nfs/dbraw/zinc/09/80/01/675098001.db2.gz QGDYLQRGFREYNC-MRXNPFEDSA-N 1 2 345.406 2.439 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2nc(C)c(C)o2)C1 ZINC000970571460 675993773 /nfs/dbraw/zinc/99/37/73/675993773.db2.gz KUPXSSUKMIJMPB-SKDZVZGDSA-N 1 2 347.459 2.209 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C)nc3c2cnn3C)C1 ZINC000970655526 676052078 /nfs/dbraw/zinc/05/20/78/676052078.db2.gz VDYGEGNDNDETIS-GFCCVEGCSA-N 1 2 347.850 2.079 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC000970748656 676123178 /nfs/dbraw/zinc/12/31/78/676123178.db2.gz SBYWDBTZEYPAHV-CYBMUJFWSA-N 1 2 349.862 2.191 20 30 EEEDLO C=C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2nc(CC)no2)C1)c1ccccc1 ZINC000970776818 676142377 /nfs/dbraw/zinc/14/23/77/676142377.db2.gz JUZOKVRIGPOTOP-CVEARBPZSA-N 1 2 340.427 2.292 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnc(C)nc2C2CC2)C1 ZINC000970820798 676180537 /nfs/dbraw/zinc/18/05/37/676180537.db2.gz BTACPKZPFGNXMX-LLVKDONJSA-N 1 2 334.851 2.465 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC000970202294 675704254 /nfs/dbraw/zinc/70/42/54/675704254.db2.gz SCHYQTXOUPAEGF-NSHDSACASA-N 1 2 347.850 2.323 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c(C)nn(C)c2Cl)C1 ZINC000970240507 675737222 /nfs/dbraw/zinc/73/72/22/675737222.db2.gz SDSMYNCOTCLBJJ-SECBINFHSA-N 1 2 331.247 2.185 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccnc(-n3cccn3)c2)C1 ZINC000970401084 675855339 /nfs/dbraw/zinc/85/53/39/675855339.db2.gz JLUGFOBJWOJCOV-ZDUSSCGKSA-N 1 2 345.834 2.070 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H](C)C2C[NH+](CC=C(Cl)Cl)C2)c1 ZINC000970401345 675855872 /nfs/dbraw/zinc/85/58/72/675855872.db2.gz MWECUYCRLHRYOY-NSHDSACASA-N 1 2 338.238 2.432 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC000970910037 676232561 /nfs/dbraw/zinc/23/25/61/676232561.db2.gz KKWBSZZXBGCZSI-ABAIWWIYSA-N 1 2 338.810 2.318 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2cccnc2)C1 ZINC000971345095 676492781 /nfs/dbraw/zinc/49/27/81/676492781.db2.gz BPCVBBKMGBKPQB-CQSZACIVSA-N 1 2 338.249 2.065 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2cccnc2)C1 ZINC000971345095 676492784 /nfs/dbraw/zinc/49/27/84/676492784.db2.gz BPCVBBKMGBKPQB-CQSZACIVSA-N 1 2 338.249 2.065 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(F)cn2)C1 ZINC000971385126 676514178 /nfs/dbraw/zinc/51/41/78/676514178.db2.gz GVCMSGJGYVWKBS-LBPRGKRZSA-N 1 2 342.212 2.276 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(F)cn2)C1 ZINC000971385126 676514179 /nfs/dbraw/zinc/51/41/79/676514179.db2.gz GVCMSGJGYVWKBS-LBPRGKRZSA-N 1 2 342.212 2.276 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(OC)no2)C1 ZINC000971688574 676738839 /nfs/dbraw/zinc/73/88/39/676738839.db2.gz YGNUGIWIBTYJLN-AWEZNQCLSA-N 1 2 344.415 2.017 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(OC)no2)C1 ZINC000971688574 676738842 /nfs/dbraw/zinc/73/88/42/676738842.db2.gz YGNUGIWIBTYJLN-AWEZNQCLSA-N 1 2 344.415 2.017 20 30 EEEDLO CCOC1CC(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)C1 ZINC001038222559 676808131 /nfs/dbraw/zinc/80/81/31/676808131.db2.gz ODNNLJHKFQLPTC-ROKHWSDSSA-N 1 2 333.457 2.125 20 30 EEEDLO CCOC1CC(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)C1 ZINC001038222559 676808134 /nfs/dbraw/zinc/80/81/34/676808134.db2.gz ODNNLJHKFQLPTC-ROKHWSDSSA-N 1 2 333.457 2.125 20 30 EEEDLO C#CC[N@@H+](CC)Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000891805027 676840414 /nfs/dbraw/zinc/84/04/14/676840414.db2.gz BTHKUVUVWGWYSC-OAHLLOKOSA-N 1 2 347.463 2.305 20 30 EEEDLO C#CC[N@H+](CC)Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000891805027 676840415 /nfs/dbraw/zinc/84/04/15/676840415.db2.gz BTHKUVUVWGWYSC-OAHLLOKOSA-N 1 2 347.463 2.305 20 30 EEEDLO O=C(NCC#C[C@@H]1CCCCO1)NCc1ccccc1-n1cc[nH+]c1 ZINC000892281972 678573924 /nfs/dbraw/zinc/57/39/24/678573924.db2.gz RQVVIGWIFPEXRZ-KRWDZBQOSA-N 1 2 338.411 2.244 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)s2)C1 ZINC000972373883 678618154 /nfs/dbraw/zinc/61/81/54/678618154.db2.gz NHPUHYFYFUVZCZ-KFWWJZLASA-N 1 2 335.473 2.075 20 30 EEEDLO 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2 332.448 2.004 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000984604188 684863264 /nfs/dbraw/zinc/86/32/64/684863264.db2.gz LKFDMMCMSHTHFV-BEFAXECRSA-N 1 2 346.475 2.312 20 30 EEEDLO CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ncccc1O ZINC000974492655 684984583 /nfs/dbraw/zinc/98/45/83/684984583.db2.gz SPCKRCYEXFFSIQ-GOSISDBHSA-N 1 2 349.434 2.279 20 30 EEEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ncccc1O ZINC000974492655 684984586 /nfs/dbraw/zinc/98/45/86/684984586.db2.gz SPCKRCYEXFFSIQ-GOSISDBHSA-N 1 2 349.434 2.279 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCCc3c[nH]nc32)C(C)(C)C1 ZINC000974598268 685094019 /nfs/dbraw/zinc/09/40/19/685094019.db2.gz BJFLOABEVWUHQU-KBPBESRZSA-N 1 2 336.867 2.409 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2CCCc3c[nH]nc32)C(C)(C)C1 ZINC000974598268 685094026 /nfs/dbraw/zinc/09/40/26/685094026.db2.gz BJFLOABEVWUHQU-KBPBESRZSA-N 1 2 336.867 2.409 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cncc3ncn(C)c32)C(C)(C)C1 ZINC000974682373 685229915 /nfs/dbraw/zinc/22/99/15/685229915.db2.gz XGJHJCOMSASQMY-CQSZACIVSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cncc3ncn(C)c32)C(C)(C)C1 ZINC000974682373 685229918 /nfs/dbraw/zinc/22/99/18/685229918.db2.gz XGJHJCOMSASQMY-CQSZACIVSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnc3c(c2)ncn3C)C(C)(C)C1 ZINC000974897919 685711496 /nfs/dbraw/zinc/71/14/96/685711496.db2.gz GTXUVKGWULWHDZ-CQSZACIVSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)ncn3C)C(C)(C)C1 ZINC000974897919 685711503 /nfs/dbraw/zinc/71/15/03/685711503.db2.gz GTXUVKGWULWHDZ-CQSZACIVSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)C(C)(C)C1 ZINC000974927128 685749864 /nfs/dbraw/zinc/74/98/64/685749864.db2.gz WMHJCSRCLRLYOM-INIZCTEOSA-N 1 2 339.443 2.488 20 30 EEEDLO C=C(C)C[N@H+]1C[C@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)C(C)(C)C1 ZINC000974927128 685749866 /nfs/dbraw/zinc/74/98/66/685749866.db2.gz WMHJCSRCLRLYOM-INIZCTEOSA-N 1 2 339.443 2.488 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccn(C)n3)CC2(C)C)cc1 ZINC000974931012 685785180 /nfs/dbraw/zinc/78/51/80/685785180.db2.gz PLPWWJLHGKEYHX-GOSISDBHSA-N 1 2 336.439 2.042 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccn(C)n3)CC2(C)C)cc1 ZINC000974931012 685785186 /nfs/dbraw/zinc/78/51/86/685785186.db2.gz PLPWWJLHGKEYHX-GOSISDBHSA-N 1 2 336.439 2.042 20 30 EEEDLO Cc1conc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001029543427 685803390 /nfs/dbraw/zinc/80/33/90/685803390.db2.gz ADONDYYKSSSJLV-CALCHBBNSA-N 1 2 336.395 2.344 20 30 EEEDLO Cc1conc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001029543427 685803393 /nfs/dbraw/zinc/80/33/93/685803393.db2.gz ADONDYYKSSSJLV-CALCHBBNSA-N 1 2 336.395 2.344 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1ncccc1F ZINC001008978993 686630689 /nfs/dbraw/zinc/63/06/89/686630689.db2.gz HJQPVRHXETVHMN-KRWDZBQOSA-N 1 2 337.398 2.467 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1ncccc1F ZINC001008978993 686630695 /nfs/dbraw/zinc/63/06/95/686630695.db2.gz HJQPVRHXETVHMN-KRWDZBQOSA-N 1 2 337.398 2.467 20 30 EEEDLO CC(C)c1nsc(C[N@H+](C)C[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001029733387 686941765 /nfs/dbraw/zinc/94/17/65/686941765.db2.gz IQXWEJPEZPDNBS-HNNXBMFYSA-N 1 2 346.500 2.355 20 30 EEEDLO CC(C)c1nsc(C[N@@H+](C)C[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001029733387 686941767 /nfs/dbraw/zinc/94/17/67/686941767.db2.gz IQXWEJPEZPDNBS-HNNXBMFYSA-N 1 2 346.500 2.355 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C1 ZINC000975984473 687241082 /nfs/dbraw/zinc/24/10/82/687241082.db2.gz WOFIIRJMVUGCAR-DOXZYTNZSA-N 1 2 344.459 2.004 20 30 EEEDLO CC(C)CCc1noc(C[NH2+][C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)n1 ZINC000986270661 688448805 /nfs/dbraw/zinc/44/88/05/688448805.db2.gz XFCCPPSITAXNIZ-ZBFHGGJFSA-N 1 2 344.459 2.151 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC(C[N@H+](C)Cc2nnc(C3CC3)s2)CC1 ZINC001029946294 688656425 /nfs/dbraw/zinc/65/64/25/688656425.db2.gz KQPFWLZBQLICNL-GFCCVEGCSA-N 1 2 347.488 2.246 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC(C[N@@H+](C)Cc2nnc(C3CC3)s2)CC1 ZINC001029946294 688656426 /nfs/dbraw/zinc/65/64/26/688656426.db2.gz KQPFWLZBQLICNL-GFCCVEGCSA-N 1 2 347.488 2.246 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nc(CC)no3)[C@@H]2C)cc1 ZINC000986641455 688815273 /nfs/dbraw/zinc/81/52/73/688815273.db2.gz HJGIWFDIQOMRHS-BBRMVZONSA-N 1 2 338.411 2.006 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)on1 ZINC001027751617 694334121 /nfs/dbraw/zinc/33/41/21/694334121.db2.gz LRHOYHRQZYJJOS-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)c(F)c2)on1 ZINC001027751617 694334123 /nfs/dbraw/zinc/33/41/23/694334123.db2.gz LRHOYHRQZYJJOS-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nc(NC[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001060002587 692500207 /nfs/dbraw/zinc/50/02/07/692500207.db2.gz AWRLQUWXWYGLOT-DZGCQCFKSA-N 1 2 341.459 2.474 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2nnn(C(C)C)c2C)C(C)(C)C1 ZINC000977389635 692558707 /nfs/dbraw/zinc/55/87/07/692558707.db2.gz PAHSZKHDGHYIQR-CYBMUJFWSA-N 1 2 339.871 2.360 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2nnn(C(C)C)c2C)C(C)(C)C1 ZINC000977389635 692558711 /nfs/dbraw/zinc/55/87/11/692558711.db2.gz PAHSZKHDGHYIQR-CYBMUJFWSA-N 1 2 339.871 2.360 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@@H]23)co1 ZINC000990290597 692800747 /nfs/dbraw/zinc/80/07/47/692800747.db2.gz XYXXRVIDCJMAAV-SJLPKXTDSA-N 1 2 339.399 2.110 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@@H]23)co1 ZINC000990290597 692800752 /nfs/dbraw/zinc/80/07/52/692800752.db2.gz XYXXRVIDCJMAAV-SJLPKXTDSA-N 1 2 339.399 2.110 20 30 EEEDLO Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)c1C ZINC001027798437 694581013 /nfs/dbraw/zinc/58/10/13/694581013.db2.gz HZJDFLYKNXDSNB-QGZVFWFLSA-N 1 2 337.427 2.293 20 30 EEEDLO Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+]2Cc2cccc(C#N)c2)c1C ZINC001027798437 694581015 /nfs/dbraw/zinc/58/10/15/694581015.db2.gz HZJDFLYKNXDSNB-QGZVFWFLSA-N 1 2 337.427 2.293 20 30 EEEDLO Cc1nc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)c(C)o1 ZINC001032066010 1192067762 /nfs/dbraw/zinc/06/77/62/1192067762.db2.gz WONZXBGCSXOPJF-UHFFFAOYSA-N 1 2 342.374 2.164 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000943410056 1192236410 /nfs/dbraw/zinc/23/64/10/1192236410.db2.gz XNWSRDRSIYPTIK-DNVCBOLYSA-N 1 2 346.475 2.360 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCC(=O)NCCC)[C@@H]1C ZINC001486182966 1193712660 /nfs/dbraw/zinc/71/26/60/1193712660.db2.gz BKEQEFUAXLTMHP-KBPBESRZSA-N 1 2 329.872 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCC(=O)NCCC)[C@@H]1C ZINC001486182966 1193712662 /nfs/dbraw/zinc/71/26/62/1193712662.db2.gz BKEQEFUAXLTMHP-KBPBESRZSA-N 1 2 329.872 2.014 20 30 EEEDLO C=C(C)CCC(=O)NCC1(COC)CCN(c2cc[nH+]c(C)n2)CC1 ZINC001089876425 1192597827 /nfs/dbraw/zinc/59/78/27/1192597827.db2.gz MUVAQAPTXPUVHY-UHFFFAOYSA-N 1 2 346.475 2.491 20 30 EEEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000040366780 1176717995 /nfs/dbraw/zinc/71/79/95/1176717995.db2.gz FJEGFETVSOOWKO-UHFFFAOYSA-N 1 2 348.255 2.260 20 30 EEEDLO COc1ccc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)cc1 ZINC001032147237 1192777509 /nfs/dbraw/zinc/77/75/09/1192777509.db2.gz ZBSGMQYVZJNFMW-UHFFFAOYSA-N 1 2 335.407 2.429 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001267719665 1180277431 /nfs/dbraw/zinc/27/74/31/1180277431.db2.gz IRTWVXFRDPDMAF-PBHICJAKSA-N 1 2 345.418 2.369 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001267719665 1180277434 /nfs/dbraw/zinc/27/74/34/1180277434.db2.gz IRTWVXFRDPDMAF-PBHICJAKSA-N 1 2 345.418 2.369 20 30 EEEDLO Cc1ccc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c(C)n1 ZINC001032203507 1193065915 /nfs/dbraw/zinc/06/59/15/1193065915.db2.gz KCEPNURAEDRAND-UHFFFAOYSA-N 1 2 333.435 2.412 20 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1187587355 /nfs/dbraw/zinc/58/73/55/1187587355.db2.gz ZIWYCKCGVGBLJT-GFCCVEGCSA-N 1 2 328.420 2.026 20 30 EEEDLO COC1CC(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@@H]2C)C1 ZINC001088645626 1188035281 /nfs/dbraw/zinc/03/52/81/1188035281.db2.gz QPZGZSNXKDBKOT-ZPEDVELISA-N 1 2 345.418 2.201 20 30 EEEDLO COC1CC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@@H]2C)C1 ZINC001088645626 1188035285 /nfs/dbraw/zinc/03/52/85/1188035285.db2.gz QPZGZSNXKDBKOT-ZPEDVELISA-N 1 2 345.418 2.201 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCC[C@@H]1CNc1ncnc2c1C[N@H+](C)CC2 ZINC001105646271 1188359749 /nfs/dbraw/zinc/35/97/49/1188359749.db2.gz HEAXNDQNKBEIJD-GDBMZVCRSA-N 1 2 343.475 2.128 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCC[C@@H]1CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001105646271 1188359754 /nfs/dbraw/zinc/35/97/54/1188359754.db2.gz HEAXNDQNKBEIJD-GDBMZVCRSA-N 1 2 343.475 2.128 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ncc(C)cn4)C[C@H]32)cc1 ZINC001076119456 1188721992 /nfs/dbraw/zinc/72/19/92/1188721992.db2.gz LQIUTFJEWYGINP-RBUKOAKNSA-N 1 2 346.434 2.113 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ncc(C)cn4)C[C@H]32)cc1 ZINC001076119456 1188721995 /nfs/dbraw/zinc/72/19/95/1188721995.db2.gz LQIUTFJEWYGINP-RBUKOAKNSA-N 1 2 346.434 2.113 20 30 EEEDLO C#CCCCCC(=O)NCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001076212827 1188781670 /nfs/dbraw/zinc/78/16/70/1188781670.db2.gz UIDDNPFWXJCYBX-AWEZNQCLSA-N 1 2 340.427 2.381 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4[nH]c(=O)oc43)[C@@H]2C1 ZINC001076649800 1189079370 /nfs/dbraw/zinc/07/93/70/1189079370.db2.gz ALTKUIRMVFZHMX-SMDDNHRTSA-N 1 2 347.802 2.432 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc4[nH]c(=O)oc43)[C@@H]2C1 ZINC001076649800 1189079374 /nfs/dbraw/zinc/07/93/74/1189079374.db2.gz ALTKUIRMVFZHMX-SMDDNHRTSA-N 1 2 347.802 2.432 20 30 EEEDLO CC(C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O)=C1CCCC1 ZINC001076864739 1189206452 /nfs/dbraw/zinc/20/64/52/1189206452.db2.gz WRIAAMJNYQXZMK-IAGOWNOFSA-N 1 2 345.468 2.172 20 30 EEEDLO CC(C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O)=C1CCCC1 ZINC001076864739 1189206456 /nfs/dbraw/zinc/20/64/56/1189206456.db2.gz WRIAAMJNYQXZMK-IAGOWNOFSA-N 1 2 345.468 2.172 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001077106704 1189338913 /nfs/dbraw/zinc/33/89/13/1189338913.db2.gz XACOSQQZQTUYJR-LSDHHAIUSA-N 1 2 346.475 2.059 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC001077171327 1189375181 /nfs/dbraw/zinc/37/51/81/1189375181.db2.gz WNPLLRHMTQFJKI-KRWDZBQOSA-N 1 2 346.475 2.258 20 30 EEEDLO N#Cc1cccc(CN2CC[C@]3(CCC[N@@H+]3Cc3cc[nH]n3)C2=O)c1 ZINC001272537498 1190871142 /nfs/dbraw/zinc/87/11/42/1190871142.db2.gz JJFSGSIKQVOMMT-LJQANCHMSA-N 1 2 335.411 2.048 20 30 EEEDLO N#Cc1cccc(CN2CC[C@]3(CCC[N@H+]3Cc3cc[nH]n3)C2=O)c1 ZINC001272537498 1190871146 /nfs/dbraw/zinc/87/11/46/1190871146.db2.gz JJFSGSIKQVOMMT-LJQANCHMSA-N 1 2 335.411 2.048 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(F)cc(OC)cc1F ZINC001272684540 1191410187 /nfs/dbraw/zinc/41/01/87/1191410187.db2.gz KNMCGCHMLVYGAK-IAGOWNOFSA-N 1 2 334.366 2.172 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(F)cc(OC)cc1F ZINC001272684540 1191410189 /nfs/dbraw/zinc/41/01/89/1191410189.db2.gz KNMCGCHMLVYGAK-IAGOWNOFSA-N 1 2 334.366 2.172 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)c1cocn1 ZINC001485049261 1191630885 /nfs/dbraw/zinc/63/08/85/1191630885.db2.gz DLVDRFRCINPKNU-LLVKDONJSA-N 1 2 328.210 2.120 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1cocn1 ZINC001485049261 1191630887 /nfs/dbraw/zinc/63/08/87/1191630887.db2.gz DLVDRFRCINPKNU-LLVKDONJSA-N 1 2 328.210 2.120 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)c(C)s1 ZINC001485287941 1191720575 /nfs/dbraw/zinc/72/05/75/1191720575.db2.gz FLWCMCBIXHVLLO-JTQLQIEISA-N 1 2 331.445 2.210 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)c(C)s1 ZINC001485287941 1191720577 /nfs/dbraw/zinc/72/05/77/1191720577.db2.gz FLWCMCBIXHVLLO-JTQLQIEISA-N 1 2 331.445 2.210 20 30 EEEDLO C=CCOc1ccccc1C[NH+]1CC2(C1)COCC(=O)N2CCCC ZINC001272941462 1193790498 /nfs/dbraw/zinc/79/04/98/1193790498.db2.gz CCJYOIODHXOZSY-UHFFFAOYSA-N 1 2 344.455 2.465 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c(C)noc1C ZINC001018035715 1224241797 /nfs/dbraw/zinc/24/17/97/1224241797.db2.gz CVBNGQFITTVWLL-XYPHTWIQSA-N 1 2 329.444 2.169 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c(C)noc1C ZINC001018035715 1224241807 /nfs/dbraw/zinc/24/18/07/1224241807.db2.gz CVBNGQFITTVWLL-XYPHTWIQSA-N 1 2 329.444 2.169 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@H]1CC[N@H+](Cc2nccc(C)n2)C1 ZINC001033616752 1194957550 /nfs/dbraw/zinc/95/75/50/1194957550.db2.gz KZQBSKPVBULAGM-IBGZPJMESA-N 1 2 348.450 2.042 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2nccc(C)n2)C1 ZINC001033616752 1194957555 /nfs/dbraw/zinc/95/75/55/1194957555.db2.gz KZQBSKPVBULAGM-IBGZPJMESA-N 1 2 348.450 2.042 20 30 EEEDLO CCN(C(=O)c1cocn1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033767403 1195235215 /nfs/dbraw/zinc/23/52/15/1195235215.db2.gz QAKLGPZSMNVVRC-KRWDZBQOSA-N 1 2 341.386 2.402 20 30 EEEDLO CCN(C(=O)c1cocn1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033767403 1195235219 /nfs/dbraw/zinc/23/52/19/1195235219.db2.gz QAKLGPZSMNVVRC-KRWDZBQOSA-N 1 2 341.386 2.402 20 30 EEEDLO CCN(C(=O)c1cc(C)ncn1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033793526 1195279663 /nfs/dbraw/zinc/27/96/63/1195279663.db2.gz BHXIBIHBLPAZFJ-GOSISDBHSA-N 1 2 349.438 2.393 20 30 EEEDLO CCN(C(=O)c1cc(C)ncn1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033793526 1195279669 /nfs/dbraw/zinc/27/96/69/1195279669.db2.gz BHXIBIHBLPAZFJ-GOSISDBHSA-N 1 2 349.438 2.393 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001033800853 1195285897 /nfs/dbraw/zinc/28/58/97/1195285897.db2.gz ANBNGDRXXSPIQD-CZUORRHYSA-N 1 2 341.415 2.480 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001033800853 1195285900 /nfs/dbraw/zinc/28/59/00/1195285900.db2.gz ANBNGDRXXSPIQD-CZUORRHYSA-N 1 2 341.415 2.480 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2nccn3ccnc23)C1 ZINC001033957692 1195559222 /nfs/dbraw/zinc/55/92/22/1195559222.db2.gz JUQUAYVKJHEKFI-CYBMUJFWSA-N 1 2 333.823 2.018 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2nccn3ccnc23)C1 ZINC001033957692 1195559224 /nfs/dbraw/zinc/55/92/24/1195559224.db2.gz JUQUAYVKJHEKFI-CYBMUJFWSA-N 1 2 333.823 2.018 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001108112687 1195712691 /nfs/dbraw/zinc/71/26/91/1195712691.db2.gz XUWNOCKEKFRMJX-FQEVSTJZSA-N 1 2 339.439 2.320 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001108112687 1195712695 /nfs/dbraw/zinc/71/26/95/1195712695.db2.gz XUWNOCKEKFRMJX-FQEVSTJZSA-N 1 2 339.439 2.320 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001034089113 1195752471 /nfs/dbraw/zinc/75/24/71/1195752471.db2.gz ZSRHAAZAKGKPES-OLZOCXBDSA-N 1 2 331.254 2.045 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001034089113 1195752473 /nfs/dbraw/zinc/75/24/73/1195752473.db2.gz ZSRHAAZAKGKPES-OLZOCXBDSA-N 1 2 331.254 2.045 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)oc1C ZINC001034174322 1195872544 /nfs/dbraw/zinc/87/25/44/1195872544.db2.gz YHLKTJGNMWXMOI-HNNXBMFYSA-N 1 2 341.415 2.276 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)oc1C ZINC001034174322 1195872548 /nfs/dbraw/zinc/87/25/48/1195872548.db2.gz YHLKTJGNMWXMOI-HNNXBMFYSA-N 1 2 341.415 2.276 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccnc3ccnn32)C1 ZINC001034242250 1195992814 /nfs/dbraw/zinc/99/28/14/1195992814.db2.gz DEENSZJYLIYLBD-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccnc3ccnn32)C1 ZINC001034242250 1195992816 /nfs/dbraw/zinc/99/28/16/1195992816.db2.gz DEENSZJYLIYLBD-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnn(CCF)c2)C1 ZINC001034279648 1196041804 /nfs/dbraw/zinc/04/18/04/1196041804.db2.gz VFDMTMSRGWFICH-CQSZACIVSA-N 1 2 328.819 2.189 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(CCF)c2)C1 ZINC001034279648 1196041808 /nfs/dbraw/zinc/04/18/08/1196041808.db2.gz VFDMTMSRGWFICH-CQSZACIVSA-N 1 2 328.819 2.189 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(OCC)no2)C1 ZINC001034311003 1196080450 /nfs/dbraw/zinc/08/04/50/1196080450.db2.gz CSNQSCNWFCBAPW-LBPRGKRZSA-N 1 2 327.812 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(OCC)no2)C1 ZINC001034311003 1196080453 /nfs/dbraw/zinc/08/04/53/1196080453.db2.gz CSNQSCNWFCBAPW-LBPRGKRZSA-N 1 2 327.812 2.410 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](Cc3nocc3C)C2)cn1 ZINC001034493358 1196283539 /nfs/dbraw/zinc/28/35/39/1196283539.db2.gz MDONFJINYFSNLA-KRWDZBQOSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](Cc3nocc3C)C2)cn1 ZINC001034493358 1196283541 /nfs/dbraw/zinc/28/35/41/1196283541.db2.gz MDONFJINYFSNLA-KRWDZBQOSA-N 1 2 338.411 2.144 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)[C@@H]1C ZINC001090239509 1196541161 /nfs/dbraw/zinc/54/11/61/1196541161.db2.gz QFQZRBAIAZSTAV-CFVMTHIKSA-N 1 2 346.479 2.250 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001108153938 1196696320 /nfs/dbraw/zinc/69/63/20/1196696320.db2.gz UZHPRIRMFNVNQS-KUHUBIRLSA-N 1 2 330.428 2.189 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001108153938 1196696321 /nfs/dbraw/zinc/69/63/21/1196696321.db2.gz UZHPRIRMFNVNQS-KUHUBIRLSA-N 1 2 330.428 2.189 20 30 EEEDLO N#CCCCN1C(=O)COCC12C[NH+](Cc1ccccc1C(F)F)C2 ZINC001273221386 1197564879 /nfs/dbraw/zinc/56/48/79/1197564879.db2.gz IBHFJZGGBJJTDM-UHFFFAOYSA-N 1 2 349.381 2.341 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCO1)C2 ZINC001095321109 1197886114 /nfs/dbraw/zinc/88/61/14/1197886114.db2.gz ABQLSTSIHCMLIY-YDZRNGNQSA-N 1 2 339.439 2.349 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCO1)C2 ZINC001095321109 1197886119 /nfs/dbraw/zinc/88/61/19/1197886119.db2.gz ABQLSTSIHCMLIY-YDZRNGNQSA-N 1 2 339.439 2.349 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc4c(o3)CCCC4)C[C@H]21 ZINC001114352633 1197948141 /nfs/dbraw/zinc/94/81/41/1197948141.db2.gz DRDXAFSOWIORDZ-BDQBCWGISA-N 1 2 329.444 2.456 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc4c(o3)CCCC4)C[C@H]21 ZINC001114352633 1197948148 /nfs/dbraw/zinc/94/81/48/1197948148.db2.gz DRDXAFSOWIORDZ-BDQBCWGISA-N 1 2 329.444 2.456 20 30 EEEDLO Cc1noc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)c1C ZINC001014864167 1224461750 /nfs/dbraw/zinc/46/17/50/1224461750.db2.gz QDEWUDBQNCWBTF-OAHLLOKOSA-N 1 2 342.374 2.307 20 30 EEEDLO Cc1noc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)c1C ZINC001014864167 1224461754 /nfs/dbraw/zinc/46/17/54/1224461754.db2.gz QDEWUDBQNCWBTF-OAHLLOKOSA-N 1 2 342.374 2.307 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCc2nc(C)no2)[C@@H]1C ZINC001410934456 1198603773 /nfs/dbraw/zinc/60/37/73/1198603773.db2.gz UBUODYTZTCDWIB-GXTWGEPZSA-N 1 2 340.855 2.422 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCc2nc(C)no2)[C@@H]1C ZINC001410934456 1198603775 /nfs/dbraw/zinc/60/37/75/1198603775.db2.gz UBUODYTZTCDWIB-GXTWGEPZSA-N 1 2 340.855 2.422 20 30 EEEDLO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc(OC)c(C#N)c2)no1 ZINC000810049026 1199220688 /nfs/dbraw/zinc/22/06/88/1199220688.db2.gz QXJAIDLUUBHBAG-UHFFFAOYSA-N 1 2 329.356 2.366 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1Cc1cc2n(n1)CCC2 ZINC001132037794 1199221955 /nfs/dbraw/zinc/22/19/55/1199221955.db2.gz INUOCMQMGOMQOV-JKSUJKDBSA-N 1 2 342.487 2.348 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1cc2n(n1)CCC2 ZINC001132037794 1199221960 /nfs/dbraw/zinc/22/19/60/1199221960.db2.gz INUOCMQMGOMQOV-JKSUJKDBSA-N 1 2 342.487 2.348 20 30 EEEDLO C[C@H](C[C@H](C)[NH2+]CC(F)(F)C(F)F)NC(=O)c1cc(C#N)c[nH]1 ZINC001134035855 1199252373 /nfs/dbraw/zinc/25/23/73/1199252373.db2.gz VXPACOZWNNTHMO-DTWKUNHWSA-N 1 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1227311882 /nfs/dbraw/zinc/31/18/82/1227311882.db2.gz USHTYGJYQSGXDO-HDICACEKSA-N 1 2 332.407 2.442 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H](C)[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001067183356 1227341192 /nfs/dbraw/zinc/34/11/92/1227341192.db2.gz OMPKGOPLCNJOAF-GXTWGEPZSA-N 1 2 342.447 2.224 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)C(C)(C)C)C1=O ZINC001017664769 1227616249 /nfs/dbraw/zinc/61/62/49/1227616249.db2.gz JPCKVKDVHSZEEL-WCXIOVBPSA-N 1 2 347.503 2.131 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)C(C)(C)C)C1=O ZINC001017664769 1227616256 /nfs/dbraw/zinc/61/62/56/1227616256.db2.gz JPCKVKDVHSZEEL-WCXIOVBPSA-N 1 2 347.503 2.131 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnoc1-c1ccco1 ZINC001017673322 1227623534 /nfs/dbraw/zinc/62/35/34/1227623534.db2.gz ZDSCSZBWSIUJSZ-OKILXGFUSA-N 1 2 325.368 2.247 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnoc1-c1ccco1 ZINC001017673322 1227623539 /nfs/dbraw/zinc/62/35/39/1227623539.db2.gz ZDSCSZBWSIUJSZ-OKILXGFUSA-N 1 2 325.368 2.247 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1OC(C)C ZINC001017767295 1227711131 /nfs/dbraw/zinc/71/11/31/1227711131.db2.gz LCRYRCRSINRPHZ-IYBDPMFKSA-N 1 2 327.428 2.181 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1OC(C)C ZINC001017767295 1227711136 /nfs/dbraw/zinc/71/11/36/1227711136.db2.gz LCRYRCRSINRPHZ-IYBDPMFKSA-N 1 2 327.428 2.181 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001054677632 1248849625 /nfs/dbraw/zinc/84/96/25/1248849625.db2.gz FMEMLZQHZNPRQC-CMPLNLGQSA-N 1 2 340.855 2.347 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001054681630 1248854480 /nfs/dbraw/zinc/85/44/80/1248854480.db2.gz RXWTVONWYCVAFL-PWSUYJOCSA-N 1 2 340.855 2.347 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nc([C@@H](C)OC)no2)C1 ZINC001019232293 1228900219 /nfs/dbraw/zinc/90/02/19/1228900219.db2.gz TVHJBLVUYPWELN-OLZOCXBDSA-N 1 2 336.436 2.070 20 30 EEEDLO CC(C)c1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001038176146 1229678082 /nfs/dbraw/zinc/67/80/82/1229678082.db2.gz XQURKZRUVHXTSL-QGZVFWFLSA-N 1 2 337.427 2.409 20 30 EEEDLO CC(C)c1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001038176146 1229678085 /nfs/dbraw/zinc/67/80/85/1229678085.db2.gz XQURKZRUVHXTSL-QGZVFWFLSA-N 1 2 337.427 2.409 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc(C(F)F)n[nH]2)cc1 ZINC001038690178 1229978104 /nfs/dbraw/zinc/97/81/04/1229978104.db2.gz GTMNQOXUYDEJRG-CYBMUJFWSA-N 1 2 345.353 2.223 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc(C(F)F)n[nH]2)cc1 ZINC001038690178 1229978106 /nfs/dbraw/zinc/97/81/06/1229978106.db2.gz GTMNQOXUYDEJRG-CYBMUJFWSA-N 1 2 345.353 2.223 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ocnc2C(F)F)c1 ZINC001038703046 1229985370 /nfs/dbraw/zinc/98/53/70/1229985370.db2.gz HXHXPMYXAYEKKJ-CYBMUJFWSA-N 1 2 346.337 2.488 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ocnc2C(F)F)c1 ZINC001038703046 1229985371 /nfs/dbraw/zinc/98/53/71/1229985371.db2.gz HXHXPMYXAYEKKJ-CYBMUJFWSA-N 1 2 346.337 2.488 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(F)c1 ZINC001038799675 1230065689 /nfs/dbraw/zinc/06/56/89/1230065689.db2.gz XNUDACKZIQDONC-BZSNNMDCSA-N 1 2 332.419 2.497 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(F)c1 ZINC001038799675 1230065694 /nfs/dbraw/zinc/06/56/94/1230065694.db2.gz XNUDACKZIQDONC-BZSNNMDCSA-N 1 2 332.419 2.497 20 30 EEEDLO CCc1c[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)c1 ZINC001038867399 1230121845 /nfs/dbraw/zinc/12/18/45/1230121845.db2.gz KHSGFNOWIDUBQI-SFHVURJKSA-N 1 2 349.434 2.205 20 30 EEEDLO CCc1c[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)c1 ZINC001038867399 1230121846 /nfs/dbraw/zinc/12/18/46/1230121846.db2.gz KHSGFNOWIDUBQI-SFHVURJKSA-N 1 2 349.434 2.205 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]cc1C ZINC001039010402 1230233392 /nfs/dbraw/zinc/23/33/92/1230233392.db2.gz XTUAPOYGVZNWPH-MRXNPFEDSA-N 1 2 338.411 2.208 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]cc1C ZINC001039010402 1230233397 /nfs/dbraw/zinc/23/33/97/1230233397.db2.gz XTUAPOYGVZNWPH-MRXNPFEDSA-N 1 2 338.411 2.208 20 30 EEEDLO Cc1nc(NC[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC[C@H]2C)cc[nH+]1 ZINC001039854522 1230859785 /nfs/dbraw/zinc/85/97/85/1230859785.db2.gz HMFDGVSOROCKII-DOMZBBRYSA-N 1 2 338.415 2.195 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@H](CC)C(N)=O)CC1 ZINC001039892031 1230891109 /nfs/dbraw/zinc/89/11/09/1230891109.db2.gz RYWQZLKJRPPSGM-IXDOHACOSA-N 1 2 333.476 2.062 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@H](CC)C(N)=O)CC1 ZINC001039892031 1230891112 /nfs/dbraw/zinc/89/11/12/1230891112.db2.gz RYWQZLKJRPPSGM-IXDOHACOSA-N 1 2 333.476 2.062 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCCC[C@@H]2CN(C)c2cc[nH+]c(C)n2)c1 ZINC001039976388 1230945025 /nfs/dbraw/zinc/94/50/25/1230945025.db2.gz OGFJTUNICZHABZ-GOSISDBHSA-N 1 2 349.438 2.292 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cnn(C)n1)C2 ZINC001040333634 1231175580 /nfs/dbraw/zinc/17/55/80/1231175580.db2.gz STEXDKQUSBSAAM-LJQANCHMSA-N 1 2 345.491 2.232 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cnn(C)n1)C2 ZINC001040333634 1231175581 /nfs/dbraw/zinc/17/55/81/1231175581.db2.gz STEXDKQUSBSAAM-LJQANCHMSA-N 1 2 345.491 2.232 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)c3c[nH]c(C)cc3=O)C2)C1 ZINC001040478281 1231253438 /nfs/dbraw/zinc/25/34/38/1231253438.db2.gz FNUIXUBWQOVRLZ-GOSISDBHSA-N 1 2 349.862 2.364 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3c[nH]c(C)cc3=O)C2)C1 ZINC001040478281 1231253440 /nfs/dbraw/zinc/25/34/40/1231253440.db2.gz FNUIXUBWQOVRLZ-GOSISDBHSA-N 1 2 349.862 2.364 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ncnn3CCC)C2)C1 ZINC001041543339 1231588731 /nfs/dbraw/zinc/58/87/31/1231588731.db2.gz ISHOXWJAAHQZMB-LJQANCHMSA-N 1 2 345.491 2.325 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ncnn3CCC)C2)C1 ZINC001041543339 1231588732 /nfs/dbraw/zinc/58/87/32/1231588732.db2.gz ISHOXWJAAHQZMB-LJQANCHMSA-N 1 2 345.491 2.325 20 30 EEEDLO C[C@@H]1CCCC[C@H]1OCC[NH+]1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001042614190 1232121252 /nfs/dbraw/zinc/12/12/52/1232121252.db2.gz FKFMXOYCBKUYLJ-RDTXWAMCSA-N 1 2 344.459 2.238 20 30 EEEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](Cc2ccc(CF)cc2)C1 ZINC001042625811 1232124300 /nfs/dbraw/zinc/12/43/00/1232124300.db2.gz PZNRDUSHEYJIFI-UHFFFAOYSA-N 1 2 326.375 2.312 20 30 EEEDLO C[C@@H]1C[C@H]1CC(=O)N(C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001043738801 1232560088 /nfs/dbraw/zinc/56/00/88/1232560088.db2.gz QTLYIXPJBSTGIM-ZBFHGGJFSA-N 1 2 327.428 2.278 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2cccc(OC)c2)C1 ZINC001043921844 1232626022 /nfs/dbraw/zinc/62/60/22/1232626022.db2.gz BMWVODCRAYUGFI-ZMYBRWDISA-N 1 2 344.455 2.490 20 30 EEEDLO CCN(CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccc(C#N)cn1 ZINC001095985244 1233098104 /nfs/dbraw/zinc/09/81/04/1233098104.db2.gz BOJVBNMISMSVTM-UHFFFAOYSA-N 1 2 348.410 2.476 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+]([C@@H](C)c2nc(C)no2)CC1 ZINC001045563885 1233820370 /nfs/dbraw/zinc/82/03/70/1233820370.db2.gz PDZAATQZGAAUEY-CFVMTHIKSA-N 1 2 348.447 2.001 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccon1 ZINC001045780586 1233967594 /nfs/dbraw/zinc/96/75/94/1233967594.db2.gz BEBDDDMYSGUSFL-XDNAFOTISA-N 1 2 345.443 2.221 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccon1 ZINC001045780586 1233967598 /nfs/dbraw/zinc/96/75/98/1233967598.db2.gz BEBDDDMYSGUSFL-XDNAFOTISA-N 1 2 345.443 2.221 20 30 EEEDLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc(C#N)ccc2C)C1 ZINC000900429535 1234346942 /nfs/dbraw/zinc/34/69/42/1234346942.db2.gz NKMXWDNRMBYSEB-HNNXBMFYSA-N 1 2 329.400 2.080 20 30 EEEDLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C#N)ccc2C)C1 ZINC000900429535 1234346945 /nfs/dbraw/zinc/34/69/45/1234346945.db2.gz NKMXWDNRMBYSEB-HNNXBMFYSA-N 1 2 329.400 2.080 20 30 EEEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)C3CCCCCCC3)CC2)C1 ZINC001046043534 1234366086 /nfs/dbraw/zinc/36/60/86/1234366086.db2.gz AJIDJJMDTMCROX-GOSISDBHSA-N 1 2 332.492 2.089 20 30 EEEDLO C[C@@H](CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)C1CCCCC1 ZINC001046070037 1234404317 /nfs/dbraw/zinc/40/43/17/1234404317.db2.gz NQIGQQXMJKDKTH-PKOBYXMFSA-N 1 2 346.519 2.335 20 30 EEEDLO C[C@@]1(NC(=O)[C@H]2CCCOC2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046188381 1234529925 /nfs/dbraw/zinc/52/99/25/1234529925.db2.gz DNIBMINEKFVNHR-HNAYVOBHSA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@@]1(NC(=O)[C@H]2CCCOC2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046188381 1234529927 /nfs/dbraw/zinc/52/99/27/1234529927.db2.gz DNIBMINEKFVNHR-HNAYVOBHSA-N 1 2 345.418 2.205 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001046519327 1234897623 /nfs/dbraw/zinc/89/76/23/1234897623.db2.gz GVJANCDWBMVICT-KBXCAEBGSA-N 1 2 347.846 2.446 20 30 EEEDLO 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C=C(Cl)CN1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052871538 1245419567 /nfs/dbraw/zinc/41/95/67/1245419567.db2.gz JTJKPFOOSXRCEZ-CQSZACIVSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001051333252 1245564059 /nfs/dbraw/zinc/56/40/59/1245564059.db2.gz ZKXYXJOBNMLFDR-JKSUJKDBSA-N 1 2 346.475 2.062 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H](C)[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001053132182 1245959296 /nfs/dbraw/zinc/95/92/96/1245959296.db2.gz JWEYKNOQXBCAAR-HOTGVXAUSA-N 1 2 346.475 2.086 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC2(C[NH+](CCC(F)(F)F)C2)n2ccnc21 ZINC001101615879 1246039710 /nfs/dbraw/zinc/03/97/10/1246039710.db2.gz RZLRLUGJOBAZMR-GFCCVEGCSA-N 1 2 342.365 2.374 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCc1cccs1)c1nccn12 ZINC001101650881 1246083243 /nfs/dbraw/zinc/08/32/43/1246083243.db2.gz DXQHNWLZPJFTJU-OAHLLOKOSA-N 1 2 342.468 2.335 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CCC(F)(F)C1)CCO2 ZINC001053281941 1246137878 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EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(OCC)cc1)CCO2 ZINC001053521796 1246427858 /nfs/dbraw/zinc/42/78/58/1246427858.db2.gz HIBXNHCHUHMZHO-UHFFFAOYSA-N 1 2 330.428 2.188 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C=C)c1ccccc1)CCO2 ZINC001053538908 1246448150 /nfs/dbraw/zinc/44/81/50/1246448150.db2.gz KQBKPPHAYCLBJV-SFHVURJKSA-N 1 2 326.440 2.446 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C13CC(C(F)(F)F)(C1)C3)CCO2 ZINC001053542188 1246452888 /nfs/dbraw/zinc/45/28/88/1246452888.db2.gz VYVJMIZZCZJDMG-UHFFFAOYSA-N 1 2 344.377 2.208 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)C(C)(F)F)C2)CC1 ZINC001052081445 1246458660 /nfs/dbraw/zinc/45/86/60/1246458660.db2.gz BLBLTXPVUOITDQ-LSDHHAIUSA-N 1 2 329.435 2.072 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ncsc3C3CC3)C2)CC1 ZINC001052084439 1246462597 /nfs/dbraw/zinc/46/25/97/1246462597.db2.gz VXSXLWWHPOVEPR-OAHLLOKOSA-N 1 2 346.500 2.039 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1c[nH]c3ccc(F)cc31)CCO2 ZINC001053551849 1246464674 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C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn(CCC)c1C)O2 ZINC001053684685 1246644110 /nfs/dbraw/zinc/64/41/10/1246644110.db2.gz SZMKXGJQKYLVME-MRXNPFEDSA-N 1 2 346.475 2.141 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc3scnc31)CO2 ZINC001053799793 1246805438 /nfs/dbraw/zinc/80/54/38/1246805438.db2.gz BQPRQRMPUSGNCC-ZDUSSCGKSA-N 1 2 343.452 2.446 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C)c(OC)c1)CO2 ZINC001053862589 1246929268 /nfs/dbraw/zinc/92/92/68/1246929268.db2.gz AKHZQGJKQLVQAF-MRXNPFEDSA-N 1 2 330.428 2.153 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](c1ccccc1)C1CC1)CO2 ZINC001053868190 1246939235 /nfs/dbraw/zinc/93/92/35/1246939235.db2.gz FCEPPWNBEZHDAW-OALUTQOASA-N 1 2 338.451 2.163 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1Cc3ccc(F)cc31)CO2 ZINC001053908076 1246996151 /nfs/dbraw/zinc/99/61/51/1246996151.db2.gz JYGWTLWJGMVJLM-WBVHZDCISA-N 1 2 330.403 2.001 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccccc1-n1cccc1)CO2 ZINC001053915172 1247009407 /nfs/dbraw/zinc/00/94/07/1247009407.db2.gz FTSFCAQFSUFVGW-QGZVFWFLSA-N 1 2 349.434 2.074 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1csc(C(C)(C)C)n1)CO2 ZINC001053957139 1247065398 /nfs/dbraw/zinc/06/53/98/1247065398.db2.gz VJXBYGKCVRLHAA-CYBMUJFWSA-N 1 2 347.484 2.037 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)c1ccccc1F)CO2 ZINC001053960527 1247072073 /nfs/dbraw/zinc/07/20/73/1247072073.db2.gz CKHJVUTZGNIJDR-LSDHHAIUSA-N 1 2 332.419 2.465 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001057748145 1247105651 /nfs/dbraw/zinc/10/56/51/1247105651.db2.gz HIEGXJUXLKYMRS-KDOFPFPSSA-N 1 2 346.479 2.251 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1OCc3ccccc31)CO2 ZINC001053996911 1247127346 /nfs/dbraw/zinc/12/73/46/1247127346.db2.gz RMQKVKCSMIWDBH-FUHWJXTLSA-N 1 2 342.439 2.184 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(C(F)F)n[nH]3)cc2C1 ZINC001054280306 1247996679 /nfs/dbraw/zinc/99/66/79/1247996679.db2.gz 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C=C[C@@H](C)[C@H](C)C(=O)NC1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001073102795 1255683368 /nfs/dbraw/zinc/68/33/68/1255683368.db2.gz FGFQTTYYRNECEO-CABCVRRESA-N 1 2 346.475 2.298 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NC1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001073102795 1255683374 /nfs/dbraw/zinc/68/33/74/1255683374.db2.gz FGFQTTYYRNECEO-CABCVRRESA-N 1 2 346.475 2.298 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@@H]2OCC[N@H+](CC3=CCCCC3)[C@H]2C1 ZINC001074236060 1256798773 /nfs/dbraw/zinc/79/87/73/1256798773.db2.gz LYGHKVXAVGWMBY-OALUTQOASA-N 1 2 328.456 2.202 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@@H]2OCC[N@@H+](CC3=CCCCC3)[C@H]2C1 ZINC001074236060 1256798774 /nfs/dbraw/zinc/79/87/74/1256798774.db2.gz LYGHKVXAVGWMBY-OALUTQOASA-N 1 2 328.456 2.202 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(CC)cc3)C[C@@H]21 ZINC001074398157 1256981379 /nfs/dbraw/zinc/98/13/79/1256981379.db2.gz TXPUIFRGFISCIX-OALUTQOASA-N 1 2 326.440 2.188 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(CC)cc3)C[C@@H]21 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1316658987 /nfs/dbraw/zinc/65/89/87/1316658987.db2.gz VGCYSAJVWCQQOP-CHWSQXEVSA-N 1 2 333.270 2.148 20 30 EEEDLO C#CCOC[C@H](O)C[NH2+][C@@](CC)(CCCCCC)C(=O)OCC ZINC001251906251 1317516225 /nfs/dbraw/zinc/51/62/25/1317516225.db2.gz ACNYQIISTOAOSP-AEFFLSMTSA-N 1 2 327.465 2.269 20 30 EEEDLO C[C@H](c1ncccn1)[N@H+](C)C[C@H]1CCCCN1C(=O)CSCC#N ZINC001157573900 1318722429 /nfs/dbraw/zinc/72/24/29/1318722429.db2.gz TVENVVBKODBPIR-HUUCEWRRSA-N 1 2 347.488 2.107 20 30 EEEDLO C[C@H](c1ncccn1)[N@@H+](C)C[C@H]1CCCCN1C(=O)CSCC#N ZINC001157573900 1318722434 /nfs/dbraw/zinc/72/24/34/1318722434.db2.gz TVENVVBKODBPIR-HUUCEWRRSA-N 1 2 347.488 2.107 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1coc(C)n1 ZINC001158966662 1319536280 /nfs/dbraw/zinc/53/62/80/1319536280.db2.gz QGDYKSVVYZBIIE-RHSMWYFYSA-N 1 2 335.448 2.387 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1coc(C)n1 ZINC001158966662 1319536286 /nfs/dbraw/zinc/53/62/86/1319536286.db2.gz QGDYKSVVYZBIIE-RHSMWYFYSA-N 1 2 335.448 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CCc1noc([C@H](C)[N@H+]2CCCC3(CN(C(=O)C#CC4CC4)C3)C2)n1 ZINC000981758526 778168012 /nfs/dbraw/zinc/16/80/12/778168012.db2.gz TUGBYYKVBNAQFI-AWEZNQCLSA-N 1 2 342.443 2.031 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)c2ncc(C)o2)c1 ZINC001028126689 778268559 /nfs/dbraw/zinc/26/85/59/778268559.db2.gz OIGZIWYQFGKSBF-RHSMWYFYSA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)c2ncc(C)o2)c1 ZINC001028126689 778268562 /nfs/dbraw/zinc/26/85/62/778268562.db2.gz OIGZIWYQFGKSBF-RHSMWYFYSA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[N@@H+]([C@H](C)c3cnc(C)cn3)CC2)c1 ZINC000981923630 778541368 /nfs/dbraw/zinc/54/13/68/778541368.db2.gz WSYJEERMYAADBH-MRXNPFEDSA-N 1 2 349.438 2.070 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[N@H+]([C@H](C)c3cnc(C)cn3)CC2)c1 ZINC000981923630 778541373 /nfs/dbraw/zinc/54/13/73/778541373.db2.gz WSYJEERMYAADBH-MRXNPFEDSA-N 1 2 349.438 2.070 20 30 EEEDLO CC1(C)C[N@H+](Cc2nccs2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940656812 779069989 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CCCc1nc(CO[NH+]=C(N)Cc2ccc(OC)c(OC)c2)no1 ZINC000067099205 780613967 /nfs/dbraw/zinc/61/39/67/780613967.db2.gz MCMOGFKFMVAFJI-UHFFFAOYSA-N 1 2 334.376 2.071 20 30 EEEDLO Cc1cc(NC2(CNC(=O)c3cc(C#N)c[nH]3)CC2)nc(C2CC2)[nH+]1 ZINC001110117110 790810705 /nfs/dbraw/zinc/81/07/05/790810705.db2.gz NOHOUQUOFWOHDB-UHFFFAOYSA-N 1 2 336.399 2.237 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(C)nn(C)c2n1 ZINC001028336374 780810083 /nfs/dbraw/zinc/81/00/83/780810083.db2.gz CAOBFHSZOKQGSS-CYBMUJFWSA-N 1 2 347.850 2.223 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(C)nn(C)c2n1 ZINC001028336374 780810093 /nfs/dbraw/zinc/81/00/93/780810093.db2.gz CAOBFHSZOKQGSS-CYBMUJFWSA-N 1 2 347.850 2.223 20 30 EEEDLO C#CC[NH+]1CCN(Cc2c(F)cc(Br)cc2F)CC1 ZINC001141561356 781335340 /nfs/dbraw/zinc/33/53/40/781335340.db2.gz DCOMLPVQLMGBJB-UHFFFAOYSA-N 1 2 329.188 2.478 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](n2cc(C[NH2+]C[C@@H](F)CC)nn2)C1 ZINC001098697754 781444920 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20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NCC[NH2+][C@H](C)c1nc(C(C)C)no1 ZINC001131869928 783371963 /nfs/dbraw/zinc/37/19/63/783371963.db2.gz LMQGEXHGQSXHFM-CXAGYDPISA-N 1 2 338.452 2.189 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2(C3CC3)CCOCC2)C1 ZINC001033293441 783396100 /nfs/dbraw/zinc/39/61/00/783396100.db2.gz MDFRWQRMYMIUCQ-HNNXBMFYSA-N 1 2 326.868 2.478 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2(C3CC3)CCOCC2)C1 ZINC001033293441 783396108 /nfs/dbraw/zinc/39/61/08/783396108.db2.gz MDFRWQRMYMIUCQ-HNNXBMFYSA-N 1 2 326.868 2.478 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(OC)no2)C1 ZINC001131976895 783540861 /nfs/dbraw/zinc/54/08/61/783540861.db2.gz QDOXRSRRCLFWFL-HUUCEWRRSA-N 1 2 333.432 2.346 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(OC)no2)C1 ZINC001131976895 783540867 /nfs/dbraw/zinc/54/08/67/783540867.db2.gz QDOXRSRRCLFWFL-HUUCEWRRSA-N 1 2 333.432 2.346 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC2(CC[N@@H+]([C@@H](C)c3csnn3)C2)CC1 ZINC001035169804 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C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cscn1)CC2 ZINC000992239877 793371866 /nfs/dbraw/zinc/37/18/66/793371866.db2.gz KPJJXKHNPHPKNJ-CVYDXHPNSA-N 1 2 347.484 2.347 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1cscn1)CC2 ZINC000992239877 793371875 /nfs/dbraw/zinc/37/18/75/793371875.db2.gz KPJJXKHNPHPKNJ-CVYDXHPNSA-N 1 2 347.484 2.347 20 30 EEEDLO Cc1cc(NC2CC(CNC(=O)CSCC#N)C2)nc(C(C)C)[nH+]1 ZINC001092207347 793719242 /nfs/dbraw/zinc/71/92/42/793719242.db2.gz ATEWONGOYCEQKP-UHFFFAOYSA-N 1 2 347.488 2.472 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H](Nc3cc[nH+]c(C)n3)C[C@H]2C)nc1 ZINC001064789856 793765296 /nfs/dbraw/zinc/76/52/96/793765296.db2.gz YVWGSEONWHZOFJ-CJNGLKHVSA-N 1 2 335.411 2.267 20 30 EEEDLO CC(C)C(=O)N[C@H]1CC2(C[NH+](Cc3ccc(C#N)cc3)C2)n2ccnc21 ZINC001092350058 793823302 /nfs/dbraw/zinc/82/33/02/793823302.db2.gz OEVNNSWXBLFCFJ-KRWDZBQOSA-N 1 2 349.438 2.183 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC13CCCC3)c1nccn12 ZINC001092406142 793907432 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/nfs/dbraw/zinc/05/16/60/795051660.db2.gz NQNDTCODNJTHRA-XJKSGUPXSA-N 1 2 333.457 2.269 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CCCCO3)C2)s1 ZINC001007121509 795051670 /nfs/dbraw/zinc/05/16/70/795051670.db2.gz NQNDTCODNJTHRA-XJKSGUPXSA-N 1 2 333.457 2.269 20 30 EEEDLO C=CCC(C)(C)C(=O)N(CC)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001079787709 795194006 /nfs/dbraw/zinc/19/40/06/795194006.db2.gz ZUVZOWQQTFCMIX-UHFFFAOYSA-N 1 2 346.475 2.014 20 30 EEEDLO CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2CC#Cc1ccccc1)c1c[nH+]c[nH]1 ZINC001032731522 795287855 /nfs/dbraw/zinc/28/78/55/795287855.db2.gz GKVSKKPIROMDOD-ROUUACIJSA-N 1 2 348.450 2.024 20 30 EEEDLO CCCCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001110022932 806416225 /nfs/dbraw/zinc/41/62/25/806416225.db2.gz DKRJTCREGLXUQQ-IKGGRYGDSA-N 1 2 348.491 2.098 20 30 EEEDLO CCCCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001110022932 806416229 /nfs/dbraw/zinc/41/62/29/806416229.db2.gz DKRJTCREGLXUQQ-IKGGRYGDSA-N 1 2 348.491 2.098 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3cc(C4CC4)on3)CC2)C1 ZINC001093557754 795412094 /nfs/dbraw/zinc/41/20/94/795412094.db2.gz JHFDYTTVQHBVRC-UHFFFAOYSA-N 1 2 345.443 2.434 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)C[C@H]3CCCO3)CC2)C1 ZINC001093600102 795441564 /nfs/dbraw/zinc/44/15/64/795441564.db2.gz OGZQSDARXXZAHP-NVXWUHKLSA-N 1 2 336.476 2.069 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C/C=C/c2cccc(F)c2)C1 ZINC001108001800 795448771 /nfs/dbraw/zinc/44/87/71/795448771.db2.gz NEOMWWNQDZFYMI-IEJURRBGSA-N 1 2 344.430 2.459 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C/C=C/c2cccc(F)c2)C1 ZINC001108001800 795448775 /nfs/dbraw/zinc/44/87/75/795448775.db2.gz NEOMWWNQDZFYMI-IEJURRBGSA-N 1 2 344.430 2.459 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@@H+]1Cc1cncc(F)c1 ZINC000993169902 795593633 /nfs/dbraw/zinc/59/36/33/795593633.db2.gz LQUPBYQJVJZZIJ-MLGOLLRUSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@H+]1Cc1cncc(F)c1 ZINC000993169902 795593637 /nfs/dbraw/zinc/59/36/37/795593637.db2.gz LQUPBYQJVJZZIJ-MLGOLLRUSA-N 1 2 341.390 2.203 20 30 EEEDLO COc1ccc(NC(=S)NN=C2C[NH+]3CCC2CC3)cc1OC ZINC000915048005 795602663 /nfs/dbraw/zinc/60/26/63/795602663.db2.gz NSHDSLWTLLCLCN-UHFFFAOYSA-N 1 2 334.445 2.072 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(CC)C1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001080213259 795719585 /nfs/dbraw/zinc/71/95/85/795719585.db2.gz RJQKXDQRRDALDE-HNNXBMFYSA-N 1 2 346.475 2.496 20 30 EEEDLO C[C@H](CCNc1cccc(F)c1C#N)NC(=O)CCn1cc[nH+]c1 ZINC001106520938 795764711 /nfs/dbraw/zinc/76/47/11/795764711.db2.gz RJIYAMBWAXLNCZ-CYBMUJFWSA-N 1 2 329.379 2.291 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(CC)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001080311483 795871277 /nfs/dbraw/zinc/87/12/77/795871277.db2.gz FZGRSKGQLZPQDZ-AWEZNQCLSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(CC)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001080311483 795871284 /nfs/dbraw/zinc/87/12/84/795871284.db2.gz FZGRSKGQLZPQDZ-AWEZNQCLSA-N 1 2 332.448 2.004 20 30 EEEDLO Cc1nsc(NCCNC(=O)c2cc3c[nH+]ccc3[nH]2)c1C#N ZINC001094236245 796029043 /nfs/dbraw/zinc/02/90/43/796029043.db2.gz RCVOOHDBMUPJRG-UHFFFAOYSA-N 1 2 326.385 2.041 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001078307587 796252454 /nfs/dbraw/zinc/25/24/54/796252454.db2.gz CVROUSNWAMEYFB-STQMWFEESA-N 1 2 332.448 2.053 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001094477258 796314006 /nfs/dbraw/zinc/31/40/06/796314006.db2.gz XYZKAPCJEUWMBL-ZDUSSCGKSA-N 1 2 332.448 2.173 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nn(C)c3ccccc32)C1 ZINC001080811939 796413761 /nfs/dbraw/zinc/41/37/61/796413761.db2.gz FPCCAKWUMDSNGZ-BXUZGUMPSA-N 1 2 332.835 2.376 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nn(C)c3ccccc32)C1 ZINC001080811939 796413764 /nfs/dbraw/zinc/41/37/64/796413764.db2.gz FPCCAKWUMDSNGZ-BXUZGUMPSA-N 1 2 332.835 2.376 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001080949965 796502542 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336.439 2.184 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccn(C)n3)[C@H]2C)cc1 ZINC000993672222 796899440 /nfs/dbraw/zinc/89/94/40/796899440.db2.gz PPFNKALXBLPPOF-HNAYVOBHSA-N 1 2 336.439 2.184 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3cncc(OC)n3)[C@@H]2C)C1 ZINC000993793573 796997903 /nfs/dbraw/zinc/99/79/03/796997903.db2.gz UUCWRIDHGZFUGC-GDBMZVCRSA-N 1 2 344.459 2.311 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3cncc(OC)n3)[C@@H]2C)C1 ZINC000993793573 796997906 /nfs/dbraw/zinc/99/79/06/796997906.db2.gz UUCWRIDHGZFUGC-GDBMZVCRSA-N 1 2 344.459 2.311 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn3nccc3nc2C)[C@H]1C ZINC000994120484 797302789 /nfs/dbraw/zinc/30/27/89/797302789.db2.gz HACCSRVCSYGDJV-HIFRSBDPSA-N 1 2 347.850 2.373 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn3nccc3nc2C)[C@H]1C ZINC000994120484 797302792 /nfs/dbraw/zinc/30/27/92/797302792.db2.gz HACCSRVCSYGDJV-HIFRSBDPSA-N 1 2 347.850 2.373 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnc3c(cnn3C)c2)[C@H]1C ZINC000994113583 797327799 /nfs/dbraw/zinc/32/77/99/797327799.db2.gz MCEGNRLVWRKJHA-IUODEOHRSA-N 1 2 347.850 2.304 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnc3c(cnn3C)c2)[C@H]1C ZINC000994113583 797327807 /nfs/dbraw/zinc/32/78/07/797327807.db2.gz MCEGNRLVWRKJHA-IUODEOHRSA-N 1 2 347.850 2.304 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c(s2)CCCC3)[C@H](OC)C1 ZINC001082357132 797474833 /nfs/dbraw/zinc/47/48/33/797474833.db2.gz JQDOVLXQGNBBPB-HUUCEWRRSA-N 1 2 332.469 2.079 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3c(s2)CCCC3)[C@H](OC)C1 ZINC001082357132 797474836 /nfs/dbraw/zinc/47/48/36/797474836.db2.gz JQDOVLXQGNBBPB-HUUCEWRRSA-N 1 2 332.469 2.079 20 30 EEEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)s2)[C@H](OC)C1 ZINC001082393141 797493605 /nfs/dbraw/zinc/49/36/05/797493605.db2.gz SREKYFVSZFFXOL-NXEZZACHSA-N 1 2 334.363 2.382 20 30 EEEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)s2)[C@H](OC)C1 ZINC001082393141 797493612 /nfs/dbraw/zinc/49/36/12/797493612.db2.gz SREKYFVSZFFXOL-NXEZZACHSA-N 1 2 334.363 2.382 20 30 EEEDLO C=CCOCC(=O)N1CCC(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001095219594 797534171 /nfs/dbraw/zinc/53/41/71/797534171.db2.gz XDGHVBOLIIUPCK-UHFFFAOYSA-N 1 2 344.459 2.269 20 30 EEEDLO CC(C)c1noc([C@H](C)[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)n1 ZINC001082502702 797570334 /nfs/dbraw/zinc/57/03/34/797570334.db2.gz DDOALPFNOXMMIO-VNHYZAJKSA-N 1 2 330.432 2.104 20 30 EEEDLO CCC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC001082969994 797771058 /nfs/dbraw/zinc/77/10/58/797771058.db2.gz SBUMTMIFSUWSFN-DLBZAZTESA-N 1 2 332.831 2.013 20 30 EEEDLO CCC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC001082969994 797771064 /nfs/dbraw/zinc/77/10/64/797771064.db2.gz SBUMTMIFSUWSFN-DLBZAZTESA-N 1 2 332.831 2.013 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2ccc(C)nc2)CC1 ZINC001002338949 797916874 /nfs/dbraw/zinc/91/68/74/797916874.db2.gz WNUWZIHRBILGGF-UHFFFAOYSA-N 1 2 338.249 2.493 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc(C(=O)NC)c2)[C@H]1C ZINC000994437531 797995928 /nfs/dbraw/zinc/99/59/28/797995928.db2.gz HCRVSZVJATUGFP-CJNGLKHVSA-N 1 2 349.862 2.381 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(C(=O)NC)c2)[C@H]1C ZINC000994437531 797995931 /nfs/dbraw/zinc/99/59/31/797995931.db2.gz HCRVSZVJATUGFP-CJNGLKHVSA-N 1 2 349.862 2.381 20 30 EEEDLO Cc1nccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)[C@@H]2C)n1 ZINC000994449633 798019065 /nfs/dbraw/zinc/01/90/65/798019065.db2.gz IVGCFBUKQGTJEA-KDOFPFPSSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1nccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)n1 ZINC000994449633 798019071 /nfs/dbraw/zinc/01/90/71/798019071.db2.gz IVGCFBUKQGTJEA-KDOFPFPSSA-N 1 2 349.438 2.440 20 30 EEEDLO CC/C(C)=C/C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001212220628 798053162 /nfs/dbraw/zinc/05/31/62/798053162.db2.gz GYNUKBRNDJRAIF-BDZHWRPJSA-N 1 2 344.430 2.349 20 30 EEEDLO CC/C(C)=C/C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001212220628 798053170 /nfs/dbraw/zinc/05/31/70/798053170.db2.gz GYNUKBRNDJRAIF-BDZHWRPJSA-N 1 2 344.430 2.349 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[C@H](Nc3cc[nH+]c(C)n3)C2)nc1 ZINC001061097089 798155407 /nfs/dbraw/zinc/15/54/07/798155407.db2.gz CFCHTYWNZKGLCE-JKSUJKDBSA-N 1 2 335.411 2.314 20 30 EEEDLO O=C(c1ccsn1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084439115 798225317 /nfs/dbraw/zinc/22/53/17/798225317.db2.gz WVPWIARYBHNIFE-SJLPKXTDSA-N 1 2 337.448 2.341 20 30 EEEDLO O=C(c1ccsn1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084439115 798225320 /nfs/dbraw/zinc/22/53/20/798225320.db2.gz WVPWIARYBHNIFE-SJLPKXTDSA-N 1 2 337.448 2.341 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001061101548 798229615 /nfs/dbraw/zinc/22/96/15/798229615.db2.gz BCSULTMSDCHOJJ-OAHLLOKOSA-N 1 2 344.459 2.006 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccn(C)n4)C[C@H]32)CC1 ZINC001084634318 798326209 /nfs/dbraw/zinc/32/62/09/798326209.db2.gz LMLYJXCARJUITN-SJLPKXTDSA-N 1 2 328.460 2.199 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4ccn(C)n4)C[C@H]32)CC1 ZINC001084634318 798326214 /nfs/dbraw/zinc/32/62/14/798326214.db2.gz LMLYJXCARJUITN-SJLPKXTDSA-N 1 2 328.460 2.199 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001098294542 798441953 /nfs/dbraw/zinc/44/19/53/798441953.db2.gz UWFPZUHYHJEFOC-VMGRFDJRSA-N 1 2 344.459 2.172 20 30 EEEDLO Cc1nsc(N[C@@H]2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1C#N ZINC001061136050 798539597 /nfs/dbraw/zinc/53/95/97/798539597.db2.gz KFACOYSQLNTMAF-VXGBXAGGSA-N 1 2 344.444 2.128 20 30 EEEDLO C[C@H](C#N)C(=O)NCc1cnn2c1C[N@H+](CCCC1CCC1)CC2 ZINC001128263900 798570047 /nfs/dbraw/zinc/57/00/47/798570047.db2.gz HRDUYVQGCWWQDK-CQSZACIVSA-N 1 2 329.448 2.055 20 30 EEEDLO C[C@H](C#N)C(=O)NCc1cnn2c1C[N@@H+](CCCC1CCC1)CC2 ZINC001128263900 798570052 /nfs/dbraw/zinc/57/00/52/798570052.db2.gz HRDUYVQGCWWQDK-CQSZACIVSA-N 1 2 329.448 2.055 20 30 EEEDLO C#CCC1(C(=O)N2CC[C@H]3OCC[N@@H+](CC=C(C)C)[C@@H]3C2)CCC1 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336.476 2.071 20 30 EEEDLO Cc1cc(N(C)[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001061179463 798763499 /nfs/dbraw/zinc/76/34/99/798763499.db2.gz RSBZNFMCBZRSLD-DOMZBBRYSA-N 1 2 327.432 2.249 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)COCCCCCC)C[C@H]21 ZINC001177143926 798770279 /nfs/dbraw/zinc/77/02/79/798770279.db2.gz IQFKPRNHNNPPHR-QZTJIDSGSA-N 1 2 338.492 2.461 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)COCCCCCC)C[C@H]21 ZINC001177143926 798770282 /nfs/dbraw/zinc/77/02/82/798770282.db2.gz IQFKPRNHNNPPHR-QZTJIDSGSA-N 1 2 338.492 2.461 20 30 EEEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)C#CC3CC3)c2C1 ZINC001128346702 798988435 /nfs/dbraw/zinc/98/84/35/798988435.db2.gz DJFOLCHUCWSVCT-UHFFFAOYSA-N 1 2 340.471 2.475 20 30 EEEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)C#CC3CC3)c2C1 ZINC001128346702 798988441 /nfs/dbraw/zinc/98/84/41/798988441.db2.gz DJFOLCHUCWSVCT-UHFFFAOYSA-N 1 2 340.471 2.475 20 30 EEEDLO Cc1nc(NC[C@@]2(C)CCN(C(=O)[C@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001065398572 798990334 /nfs/dbraw/zinc/99/03/34/798990334.db2.gz SLQYIKGLMOZDCR-BFUOFWGJSA-N 1 2 341.459 2.474 20 30 EEEDLO C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)/C(C)=C\C)C1 ZINC001177520357 799001515 /nfs/dbraw/zinc/00/15/15/799001515.db2.gz KFGGTDWSBBQYKR-ZWSORDCHSA-N 1 2 326.440 2.051 20 30 EEEDLO CN(c1cccc(F)c1C#N)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001061219115 799014027 /nfs/dbraw/zinc/01/40/27/799014027.db2.gz YEIOKRDINWQHID-CQSZACIVSA-N 1 2 341.390 2.021 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)C3CCC3)C2)CC1 ZINC001065676197 799325635 /nfs/dbraw/zinc/32/56/35/799325635.db2.gz GXVWCRTWBHYOCJ-WMZOPIPTSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)C=C(C)C)C2)CC1 ZINC001065683143 799340543 /nfs/dbraw/zinc/34/05/43/799340543.db2.gz UWSTYBILTZHZDW-ROUUACIJSA-N 1 2 347.503 2.300 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C=C(C)C)CC2)C1 ZINC001065704938 799352464 /nfs/dbraw/zinc/35/24/64/799352464.db2.gz SQFAPWJHKFOKCJ-QGZVFWFLSA-N 1 2 333.476 2.054 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCCC)C2)CC1 ZINC001065688771 799360586 /nfs/dbraw/zinc/36/05/86/799360586.db2.gz ODCJFQXQHFYCSD-KRWDZBQOSA-N 1 2 335.492 2.278 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C(C)=C/C)C2)CC1 ZINC001065698732 799384236 /nfs/dbraw/zinc/38/42/36/799384236.db2.gz IXYLWNBAKIQIRH-OAYXUYEOSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C[C@@H](C)CC)CC2)C1 ZINC001065709725 799404426 /nfs/dbraw/zinc/40/44/26/799404426.db2.gz ZMJRJGJQYCFEDG-DLBZAZTESA-N 1 2 349.519 2.380 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)Nc3cc[nH+]c(C)n3)C2)nc1 ZINC001065726717 799438071 /nfs/dbraw/zinc/43/80/71/799438071.db2.gz RRCWMQNHDVEQGF-CJNGLKHVSA-N 1 2 335.411 2.124 20 30 EEEDLO C#CCCCC(=O)N1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001066185280 800159981 /nfs/dbraw/zinc/15/99/81/800159981.db2.gz XLSZVIPQLRMNIN-DLBZAZTESA-N 1 2 344.459 2.135 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C)n2C)C1 ZINC001032914497 800375110 /nfs/dbraw/zinc/37/51/10/800375110.db2.gz TXFBPWHEZXYLRT-ZDUSSCGKSA-N 1 2 340.265 2.388 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)n2C)C1 ZINC001032914497 800375117 /nfs/dbraw/zinc/37/51/17/800375117.db2.gz TXFBPWHEZXYLRT-ZDUSSCGKSA-N 1 2 340.265 2.388 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)C1CCOCC1 ZINC001085454439 800533619 /nfs/dbraw/zinc/53/36/19/800533619.db2.gz MDSHOILGBGRNJS-AWEZNQCLSA-N 1 2 333.457 2.079 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)C1CCOCC1 ZINC001085454439 800533623 /nfs/dbraw/zinc/53/36/23/800533623.db2.gz MDSHOILGBGRNJS-AWEZNQCLSA-N 1 2 333.457 2.079 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1CCCCO1 ZINC001085546210 800745514 /nfs/dbraw/zinc/74/55/14/800745514.db2.gz VOLJCSCXEFMNBY-MOPGFXCFSA-N 1 2 326.440 2.140 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1CCCCO1 ZINC001085546210 800745516 /nfs/dbraw/zinc/74/55/16/800745516.db2.gz VOLJCSCXEFMNBY-MOPGFXCFSA-N 1 2 326.440 2.140 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)[C@@H]2CC2(F)F)cc1C#N ZINC001085585682 800826034 /nfs/dbraw/zinc/82/60/34/800826034.db2.gz GOXUJUHSVLGZDN-CABCVRRESA-N 1 2 349.381 2.255 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CN(C)C(=O)[C@@H]2CC2(F)F)cc1C#N ZINC001085585682 800826038 /nfs/dbraw/zinc/82/60/38/800826038.db2.gz GOXUJUHSVLGZDN-CABCVRRESA-N 1 2 349.381 2.255 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@H]1CC1(F)F ZINC001085586151 800827169 /nfs/dbraw/zinc/82/71/69/800827169.db2.gz OSUKULCBTQLUDK-JKSUJKDBSA-N 1 2 336.357 2.365 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@H]1CC1(F)F ZINC001085586151 800827176 /nfs/dbraw/zinc/82/71/76/800827176.db2.gz OSUKULCBTQLUDK-JKSUJKDBSA-N 1 2 336.357 2.365 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)c(C)s1 ZINC001033022586 800887269 /nfs/dbraw/zinc/88/72/69/800887269.db2.gz ONVAWRPSVMKWOV-CQSZACIVSA-N 1 2 343.456 2.306 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)c(C)s1 ZINC001033022586 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EEEDLO Cc1nc(N2CC[C@@H](C)[C@@H](NC(=O)C#CC3CC3)C2)c(C)c(C)[nH+]1 ZINC001114021874 810199883 /nfs/dbraw/zinc/19/98/83/810199883.db2.gz PBUUVHQZRMZYKK-PXAZEXFGSA-N 1 2 326.444 2.146 20 30 EEEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)CCc2c[nH+]cn2C)c1 ZINC000793507572 810374772 /nfs/dbraw/zinc/37/47/72/810374772.db2.gz DQTYJNCQFJZQSV-MRXNPFEDSA-N 1 2 326.400 2.350 20 30 EEEDLO CC(C)C[C@H]1CC(=O)N(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793608120 810431410 /nfs/dbraw/zinc/43/14/10/810431410.db2.gz UWJZDVGXBIUHKG-IRXDYDNUSA-N 1 2 342.443 2.258 20 30 EEEDLO CC(C)C[C@H]1CC(=O)N(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793608120 810431414 /nfs/dbraw/zinc/43/14/14/810431414.db2.gz UWJZDVGXBIUHKG-IRXDYDNUSA-N 1 2 342.443 2.258 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cnc(OC)nc2)C1 ZINC001437909487 1090488843 /nfs/dbraw/zinc/48/88/43/1090488843.db2.gz MMOQSJVQFHXRJT-CQSZACIVSA-N 1 2 338.839 2.164 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cnc(OC)nc2)C1 ZINC001437909487 1090488844 /nfs/dbraw/zinc/48/88/44/1090488844.db2.gz MMOQSJVQFHXRJT-CQSZACIVSA-N 1 2 338.839 2.164 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](C)Cc2c(C)nn(C)c2C)C1 ZINC001438160457 1090673307 /nfs/dbraw/zinc/67/33/07/1090673307.db2.gz KCRJVAPTIUOMHL-NSHDSACASA-N 1 2 338.883 2.016 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C)nc2c1cnn2C ZINC001445820858 1091701473 /nfs/dbraw/zinc/70/14/73/1091701473.db2.gz DIMBPLVDFMJFRY-GFCCVEGCSA-N 1 2 335.839 2.079 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)nc2c1cnn2C ZINC001445820858 1091701476 /nfs/dbraw/zinc/70/14/76/1091701476.db2.gz DIMBPLVDFMJFRY-GFCCVEGCSA-N 1 2 335.839 2.079 20 30 EEEDLO COCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1ccc(F)cc1Cl ZINC001442173415 1096439143 /nfs/dbraw/zinc/43/91/43/1096439143.db2.gz NRYQIDKDNGEAJM-LBPRGKRZSA-N 1 2 341.814 2.203 20 30 EEEDLO COCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1ccc(F)cc1Cl ZINC001442173415 1096439146 /nfs/dbraw/zinc/43/91/46/1096439146.db2.gz NRYQIDKDNGEAJM-LBPRGKRZSA-N 1 2 341.814 2.203 20 30 EEEDLO CCc1cnc(C[NH2+]Cc2ccc(CNC(=O)[C@@H](C)C#N)c(F)c2)o1 ZINC001442264592 1096568295 /nfs/dbraw/zinc/56/82/95/1096568295.db2.gz ATKQEHDCBVYLIU-LBPRGKRZSA-N 1 2 344.390 2.442 20 30 EEEDLO C=C(Cl)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[C@H](C)C2CC2)n1 ZINC001479614223 1098638513 /nfs/dbraw/zinc/63/85/13/1098638513.db2.gz SCJHMSJRDMDRFN-JTQLQIEISA-N 1 2 338.839 2.077 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc(N2CCCC2)nc1 ZINC001496804442 1101498651 /nfs/dbraw/zinc/49/86/51/1101498651.db2.gz FAAMFVRYYSOHCT-UHFFFAOYSA-N 1 2 336.867 2.438 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc(N2CCCC2)nc1 ZINC001496804442 1101498657 /nfs/dbraw/zinc/49/86/57/1101498657.db2.gz FAAMFVRYYSOHCT-UHFFFAOYSA-N 1 2 336.867 2.438 20 30 EEEDLO Cn1cc(C#N)c(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)n1 ZINC001465771560 1110423660 /nfs/dbraw/zinc/42/36/60/1110423660.db2.gz NKHQJTAEUXUERS-OAHLLOKOSA-N 1 2 335.371 2.051 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccccc1N(C)C(C)=O ZINC001505973894 1114312320 /nfs/dbraw/zinc/31/23/20/1114312320.db2.gz CQPCDPBGSPQDCE-ZDUSSCGKSA-N 1 2 337.851 2.472 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccccc1N(C)C(C)=O ZINC001505973894 1114312323 /nfs/dbraw/zinc/31/23/23/1114312323.db2.gz CQPCDPBGSPQDCE-ZDUSSCGKSA-N 1 2 337.851 2.472 20 30 EEEDLO C=CCN(C)c1nnc(C[NH+]2CCCCC2)n1C[C@@H]1CCCCO1 ZINC001519961373 1119117181 /nfs/dbraw/zinc/11/71/81/1119117181.db2.gz RAMDRGCQDHHZEW-INIZCTEOSA-N 1 2 333.480 2.455 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](Cc3ccccc3)CCO2)nnc1N(C)OC ZINC001520337082 1119147370 /nfs/dbraw/zinc/14/73/70/1119147370.db2.gz LEEOIFAQVZFUPQ-INIZCTEOSA-N 1 2 343.431 2.035 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nnc1N(C)OC ZINC001520337082 1119147373 /nfs/dbraw/zinc/14/73/73/1119147373.db2.gz LEEOIFAQVZFUPQ-INIZCTEOSA-N 1 2 343.431 2.035 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@@H](C)[C@H]1CC ZINC001520360127 1119149649 /nfs/dbraw/zinc/14/96/49/1119149649.db2.gz BGNWLAZQIBZHKV-NVXWUHKLSA-N 1 2 347.507 2.293 20 30 EEEDLO CCOCCCn1c(C[NH+]2CCCCC2)nnc1N(C)[C@@H](C)CC#N ZINC001524519610 1120152972 /nfs/dbraw/zinc/15/29/72/1120152972.db2.gz LVRZVJOVDSQDDC-INIZCTEOSA-N 1 2 348.495 2.429 20 30 EEEDLO Cn1cc[nH+]c1CCC(=O)NC1(c2cccc(C#N)c2)CCOCC1 ZINC001548729390 1124467490 /nfs/dbraw/zinc/46/74/90/1124467490.db2.gz HCBVFMITIIMWAJ-UHFFFAOYSA-N 1 2 338.411 2.046 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC000969826802 675236866 /nfs/dbraw/zinc/23/68/66/675236866.db2.gz XHTPJPLBQAHJEI-MRVPVSSYSA-N 1 2 336.745 2.231 20 30 EEEDLO CN(CCCn1cc[nH+]c1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000154780567 529897826 /nfs/dbraw/zinc/89/78/26/529897826.db2.gz WXOBASITQHFOSB-UHFFFAOYSA-N 1 2 326.400 2.461 20 30 EEEDLO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C[C@@H](C#N)CCC#N ZINC000112559936 529895432 /nfs/dbraw/zinc/89/54/32/529895432.db2.gz IOEPUGYFIQECSP-OAHLLOKOSA-N 1 2 349.456 2.234 20 30 EEEDLO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C[C@@H](C#N)CCC#N ZINC000112559936 529895433 /nfs/dbraw/zinc/89/54/33/529895433.db2.gz IOEPUGYFIQECSP-OAHLLOKOSA-N 1 2 349.456 2.234 20 30 EEEDLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC2(CNC(=O)C2)CC1 ZINC000330027893 539787086 /nfs/dbraw/zinc/78/70/86/539787086.db2.gz NTGCYKAYFQKVSY-UHFFFAOYSA-N 1 2 327.388 2.191 20 30 EEEDLO N#C[C@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCO1 ZINC000106327983 237110187 /nfs/dbraw/zinc/11/01/87/237110187.db2.gz WWZBCWPAMRFAMK-INIZCTEOSA-N 1 2 334.464 2.109 20 30 EEEDLO N#C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000106329618 237112387 /nfs/dbraw/zinc/11/23/87/237112387.db2.gz QSCOAOWCXAFUGC-SFHVURJKSA-N 1 2 342.443 2.106 20 30 EEEDLO N#Cc1ccc(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000446700270 242212088 /nfs/dbraw/zinc/21/20/88/242212088.db2.gz GKDKXPIBEHDENI-UHFFFAOYSA-N 1 2 331.335 2.321 20 30 EEEDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)CC1(CC#N)CC1 ZINC000451221398 243037310 /nfs/dbraw/zinc/03/73/10/243037310.db2.gz YQZXCUATKXWRCG-INIZCTEOSA-N 1 2 347.484 2.216 20 30 EEEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)CC1(CC#N)CC1 ZINC000451221398 243037314 /nfs/dbraw/zinc/03/73/14/243037314.db2.gz YQZXCUATKXWRCG-INIZCTEOSA-N 1 2 347.484 2.216 20 30 EEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)CCC=C(C)C)CC1 ZINC000491485020 246045707 /nfs/dbraw/zinc/04/57/07/246045707.db2.gz MJNYIJHNGUIIGZ-GOSISDBHSA-N 1 2 347.503 2.043 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)CCC=C(C)C)CC1 ZINC000491485020 246045711 /nfs/dbraw/zinc/04/57/11/246045711.db2.gz MJNYIJHNGUIIGZ-GOSISDBHSA-N 1 2 347.503 2.043 20 30 EEEDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000495617135 247212484 /nfs/dbraw/zinc/21/24/84/247212484.db2.gz OZWFGGXUQMOBAH-INIZCTEOSA-N 1 2 344.415 2.097 20 30 EEEDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000495617135 247212489 /nfs/dbraw/zinc/21/24/89/247212489.db2.gz OZWFGGXUQMOBAH-INIZCTEOSA-N 1 2 344.415 2.097 20 30 EEEDLO Cc1nnc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000273727853 256321937 /nfs/dbraw/zinc/32/19/37/256321937.db2.gz SSAHNECOIWKZQQ-YGRLFVJLSA-N 1 2 327.413 2.174 20 30 EEEDLO C#C[C@H](C)N(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000491406123 533282254 /nfs/dbraw/zinc/28/22/54/533282254.db2.gz LZOWSNWLDZNRQB-XKQJLSEDSA-N 1 2 349.862 2.375 20 30 EEEDLO C#C[C@H](C)N(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000491406123 533282257 /nfs/dbraw/zinc/28/22/57/533282257.db2.gz LZOWSNWLDZNRQB-XKQJLSEDSA-N 1 2 349.862 2.375 20 30 EEEDLO C#C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)c1ccc(F)cc1 ZINC000491554011 533324828 /nfs/dbraw/zinc/32/48/28/533324828.db2.gz FQPUCHVUGXTBAN-OLMNPRSZSA-N 1 2 345.418 2.005 20 30 EEEDLO C#C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000491796270 533325637 /nfs/dbraw/zinc/32/56/37/533325637.db2.gz YZLSWYNEPMLSLY-INIZCTEOSA-N 1 2 347.846 2.178 20 30 EEEDLO COc1cc(C#N)ccc1C[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000179655653 533496918 /nfs/dbraw/zinc/49/69/18/533496918.db2.gz DCHVGRGVXXWZQM-UHFFFAOYSA-N 1 2 349.434 2.454 20 30 EEEDLO N#Cc1cccc(OCCC[N@H+]2CCNC(=O)[C@@H]2Cc2ccccc2)c1 ZINC000343998236 161188258 /nfs/dbraw/zinc/18/82/58/161188258.db2.gz VCCBULIFCNMRIU-FQEVSTJZSA-N 1 2 349.434 2.370 20 30 EEEDLO N#Cc1cccc(OCCC[N@@H+]2CCNC(=O)[C@@H]2Cc2ccccc2)c1 ZINC000343998236 161188259 /nfs/dbraw/zinc/18/82/59/161188259.db2.gz VCCBULIFCNMRIU-FQEVSTJZSA-N 1 2 349.434 2.370 20 30 EEEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000345272260 161287010 /nfs/dbraw/zinc/28/70/10/161287010.db2.gz BIPOITKZZQJIRY-UHFFFAOYSA-N 1 2 341.415 2.003 20 30 EEEDLO CC[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2OC)C[C@@H](C)[S@]1=O ZINC000285817078 266379959 /nfs/dbraw/zinc/37/99/59/266379959.db2.gz GPHMPCXXCVIRGP-NHBFPYQTSA-N 1 2 336.457 2.177 20 30 EEEDLO CC[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2OC)C[C@@H](C)[S@]1=O ZINC000285817078 266379960 /nfs/dbraw/zinc/37/99/60/266379960.db2.gz GPHMPCXXCVIRGP-NHBFPYQTSA-N 1 2 336.457 2.177 20 30 EEEDLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@H]1c1ccccc1 ZINC000290354829 267050524 /nfs/dbraw/zinc/05/05/24/267050524.db2.gz QJPWDXFOJGXWLA-RDTXWAMCSA-N 1 2 341.436 2.420 20 30 EEEDLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@H]1c1ccccc1 ZINC000290354829 267050526 /nfs/dbraw/zinc/05/05/26/267050526.db2.gz QJPWDXFOJGXWLA-RDTXWAMCSA-N 1 2 341.436 2.420 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1nc(C(F)(F)F)ccc1C#N ZINC000286217393 267091574 /nfs/dbraw/zinc/09/15/74/267091574.db2.gz CUBKAIFYDPJVJA-YPMHNXCESA-N 1 2 340.349 2.271 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279841663 267142738 /nfs/dbraw/zinc/14/27/38/267142738.db2.gz RPXBIWCYRLZSSN-HUUCEWRRSA-N 1 2 343.427 2.155 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279841663 267142740 /nfs/dbraw/zinc/14/27/40/267142740.db2.gz RPXBIWCYRLZSSN-HUUCEWRRSA-N 1 2 343.427 2.155 20 30 EEEDLO C[C@H](O)c1ncc(C[NH+]2CCN(c3ccccc3C#N)CC2)s1 ZINC000289131338 267196190 /nfs/dbraw/zinc/19/61/90/267196190.db2.gz ONHOHROJCFPGOQ-ZDUSSCGKSA-N 1 2 328.441 2.390 20 30 EEEDLO C[C@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)Cc2ccccc2O1 ZINC000292453466 267229418 /nfs/dbraw/zinc/22/94/18/267229418.db2.gz PQCZEOBGZMXBQA-HNNXBMFYSA-N 1 2 335.407 2.458 20 30 EEEDLO C[C@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)Cc2ccccc2O1 ZINC000292453466 267229420 /nfs/dbraw/zinc/22/94/20/267229420.db2.gz PQCZEOBGZMXBQA-HNNXBMFYSA-N 1 2 335.407 2.458 20 30 EEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000348329316 268090244 /nfs/dbraw/zinc/09/02/44/268090244.db2.gz XRDODYMFJPFTIT-MJGOQNOKSA-N 1 2 346.390 2.315 20 30 EEEDLO CCN1CCN(c2nc3c(cc2C#N)CCCC3)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530375879 269656635 /nfs/dbraw/zinc/65/66/35/269656635.db2.gz MXTRJNMKPNEUQE-QGZVFWFLSA-N 1 2 336.443 2.438 20 30 EEEDLO N#Cc1cccc(Cl)c1NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000301201545 294833204 /nfs/dbraw/zinc/83/32/04/294833204.db2.gz NBXXBDOQAZGECK-UHFFFAOYSA-N 1 2 342.834 2.236 20 30 EEEDLO N#Cc1ccc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)[nH]1 ZINC000160291634 311352639 /nfs/dbraw/zinc/35/26/39/311352639.db2.gz FDBPZSJVGAMNBM-UHFFFAOYSA-N 1 2 344.172 2.227 20 30 EEEDLO COC(=O)c1cccc(C[NH2+][C@H](CO)c2ccccc2OC)c1C#N ZINC000541051318 318091839 /nfs/dbraw/zinc/09/18/39/318091839.db2.gz HWWJXEZEHUHDRW-QGZVFWFLSA-N 1 2 340.379 2.177 20 30 EEEDLO COC(=O)[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)[C@@H]1CCC[C@H](OC)C1 ZINC000572008338 319807222 /nfs/dbraw/zinc/80/72/22/319807222.db2.gz UZLBMIZCIRAPGH-UWWQBHOKSA-N 1 2 346.427 2.403 20 30 EEEDLO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(F)cc2C#N)c1 ZINC000181939579 323360219 /nfs/dbraw/zinc/36/02/19/323360219.db2.gz ZNPZMGIMPQAZNS-LBPRGKRZSA-N 1 2 347.415 2.456 20 30 EEEDLO COC(=O)c1cccc(C[NH2+][C@H](CO)c2ccc(F)cc2)c1C#N ZINC000581745750 324314470 /nfs/dbraw/zinc/31/44/70/324314470.db2.gz QYQPDKNSLSBBJX-QGZVFWFLSA-N 1 2 328.343 2.307 20 30 EEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](n4ccnn4)C3)o2)cc1 ZINC000582118424 324383948 /nfs/dbraw/zinc/38/39/48/324383948.db2.gz DJUJYAHYRJFJOC-HNNXBMFYSA-N 1 2 335.371 2.037 20 30 EEEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](n4ccnn4)C3)o2)cc1 ZINC000582118424 324383950 /nfs/dbraw/zinc/38/39/50/324383950.db2.gz DJUJYAHYRJFJOC-HNNXBMFYSA-N 1 2 335.371 2.037 20 30 EEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1cnn(C)c1 ZINC000126936529 463672043 /nfs/dbraw/zinc/67/20/43/463672043.db2.gz JQOPANVOIFPZKT-CSLYMUCUSA-N 1 2 331.464 2.171 20 30 EEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1cnn(C)c1 ZINC000126936529 463672046 /nfs/dbraw/zinc/67/20/46/463672046.db2.gz JQOPANVOIFPZKT-CSLYMUCUSA-N 1 2 331.464 2.171 20 30 EEEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c(C)c1 ZINC000328675868 465096883 /nfs/dbraw/zinc/09/68/83/465096883.db2.gz KYQDKJOOFIAOLL-SOUVJXGZSA-N 1 2 347.415 2.294 20 30 EEEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2C[C@@H]3COC[C@H](C2)O3)c(C)c1 ZINC000328675868 465096886 /nfs/dbraw/zinc/09/68/86/465096886.db2.gz KYQDKJOOFIAOLL-SOUVJXGZSA-N 1 2 347.415 2.294 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000341330274 465115107 /nfs/dbraw/zinc/11/51/07/465115107.db2.gz JSFUDOIWTYITEP-AWEZNQCLSA-N 1 2 330.432 2.010 20 30 EEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC[C@H](C2CCOCC2)C1 ZINC000328823282 465139918 /nfs/dbraw/zinc/13/99/18/465139918.db2.gz IIGJEYMBOOUGKC-HOTGVXAUSA-N 1 2 332.448 2.423 20 30 EEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C12CCC2 ZINC000328883852 465156567 /nfs/dbraw/zinc/15/65/67/465156567.db2.gz YFBAWJYWZVKORR-SOUVJXGZSA-N 1 2 332.448 2.471 20 30 EEEDLO C[C@@H](C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1cccnc1 ZINC000328932749 465172124 /nfs/dbraw/zinc/17/21/24/465172124.db2.gz PHKMXYPFMUTCRF-OAHLLOKOSA-N 1 2 344.459 2.086 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)NC2CCCC2)CCC(=O)N1C1CC1 ZINC000328949586 465179989 /nfs/dbraw/zinc/17/99/89/465179989.db2.gz KWXUZBVGRNZIFZ-RHSMWYFYSA-N 1 2 345.447 2.061 20 30 EEEDLO COCc1ccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)o1 ZINC000355188500 465230786 /nfs/dbraw/zinc/23/07/86/465230786.db2.gz NOFIDODXPJZRJL-DJJJIMSYSA-N 1 2 337.379 2.271 20 30 EEEDLO COCc1ccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)o1 ZINC000355188500 465230793 /nfs/dbraw/zinc/23/07/93/465230793.db2.gz NOFIDODXPJZRJL-DJJJIMSYSA-N 1 2 337.379 2.271 20 30 EEEDLO C[C@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)C(=O)NC1(C#N)CCC1 ZINC000337218729 465250521 /nfs/dbraw/zinc/25/05/21/465250521.db2.gz JFAKHUOWGMJEJU-GXFFZTMASA-N 1 2 339.798 2.053 20 30 EEEDLO CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000355592899 465258621 /nfs/dbraw/zinc/25/86/21/465258621.db2.gz CIDOIVNTRXBSJF-PKOBYXMFSA-N 1 2 329.444 2.332 20 30 EEEDLO CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000355592899 465258627 /nfs/dbraw/zinc/25/86/27/465258627.db2.gz CIDOIVNTRXBSJF-PKOBYXMFSA-N 1 2 329.444 2.332 20 30 EEEDLO Cc1cn2cc(NC(=O)N3CCOC[C@@H]3[C@@H]3CCCO3)ccc2[nH+]1 ZINC000329254765 465281561 /nfs/dbraw/zinc/28/15/61/465281561.db2.gz AKPOCTNEZWHVNJ-CABCVRRESA-N 1 2 330.388 2.068 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1cccc2cc[nH]c21 ZINC000329374271 465313965 /nfs/dbraw/zinc/31/39/65/465313965.db2.gz KFYZCEKXCHUJTL-PBHICJAKSA-N 1 2 342.443 2.377 20 30 EEEDLO C#CC[N@@H+](CCCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000490938024 468272183 /nfs/dbraw/zinc/27/21/83/468272183.db2.gz WGTCQMBWBAQKOD-HNNXBMFYSA-N 1 2 325.861 2.395 20 30 EEEDLO C#CC[N@H+](CCCc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000490938024 468272188 /nfs/dbraw/zinc/27/21/88/468272188.db2.gz WGTCQMBWBAQKOD-HNNXBMFYSA-N 1 2 325.861 2.395 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2)CC1 ZINC000491068218 468294267 /nfs/dbraw/zinc/29/42/67/468294267.db2.gz NCZYQCWGRCBFHI-UHFFFAOYSA-N 1 2 337.471 2.379 20 30 EEEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@@H]1C[C@@]12CCOC2 ZINC000329695337 465409632 /nfs/dbraw/zinc/40/96/32/465409632.db2.gz BJODJXYPHAWNNN-SCLBCKFNSA-N 1 2 342.399 2.414 20 30 EEEDLO C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000112997959 462562213 /nfs/dbraw/zinc/56/22/13/462562213.db2.gz IJOIHUKWDRHISO-MCIONIFRSA-N 1 2 325.453 2.007 20 30 EEEDLO Cc1ccc(NC(=O)N2CCN(c3cnccc3C#N)CC2)c(C)[nH+]1 ZINC000521343368 468304429 /nfs/dbraw/zinc/30/44/29/468304429.db2.gz YRRHWGZFCFEXSN-UHFFFAOYSA-N 1 2 336.399 2.319 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000045606318 462601517 /nfs/dbraw/zinc/60/15/17/462601517.db2.gz NSKJHMWJRQCAGR-HNNXBMFYSA-N 1 2 338.411 2.296 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](C[C@H](O)c3cccc(Cl)c3)CC2)c1 ZINC000075636977 462743307 /nfs/dbraw/zinc/74/33/07/462743307.db2.gz AGUKSYVLPHDOLR-KRWDZBQOSA-N 1 2 342.830 2.462 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)COc1ccccc1C#N ZINC000008134721 462769082 /nfs/dbraw/zinc/76/90/82/462769082.db2.gz UDLCRIMXILWZTF-UHFFFAOYSA-N 1 2 334.379 2.412 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000066314771 462873092 /nfs/dbraw/zinc/87/30/92/462873092.db2.gz VQXRTFJHMGMBRH-INIZCTEOSA-N 1 2 349.450 2.045 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000066436283 462890144 /nfs/dbraw/zinc/89/01/44/462890144.db2.gz LJIKXYIGEJJMEV-WBVHZDCISA-N 1 2 333.432 2.269 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000066436283 462890151 /nfs/dbraw/zinc/89/01/51/462890151.db2.gz LJIKXYIGEJJMEV-WBVHZDCISA-N 1 2 333.432 2.269 20 30 EEEDLO COC(=O)c1ccc(N2CC[N@H+](C[C@H](C#N)CCC#N)[C@H](C)C2)cc1 ZINC000155449122 462893480 /nfs/dbraw/zinc/89/34/80/462893480.db2.gz PNOFJRVOJPHFGF-CVEARBPZSA-N 1 2 340.427 2.427 20 30 EEEDLO COC(=O)c1ccc(N2CC[N@@H+](C[C@H](C#N)CCC#N)[C@H](C)C2)cc1 ZINC000155449122 462893485 /nfs/dbraw/zinc/89/34/85/462893485.db2.gz PNOFJRVOJPHFGF-CVEARBPZSA-N 1 2 340.427 2.427 20 30 EEEDLO Cc1cccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1C#N ZINC000156127065 462982870 /nfs/dbraw/zinc/98/28/70/462982870.db2.gz HUPBMNOSAXQZRS-AWEZNQCLSA-N 1 2 333.413 2.041 20 30 EEEDLO N#Cc1ccncc1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000094151132 463061693 /nfs/dbraw/zinc/06/16/93/463061693.db2.gz JCZYOZACSSSASR-UHFFFAOYSA-N 1 2 338.411 2.276 20 30 EEEDLO C=C(C)COCCNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000135020675 463108234 /nfs/dbraw/zinc/10/82/34/463108234.db2.gz KGAYPZGOHUMHFK-INIZCTEOSA-N 1 2 332.448 2.063 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000078730442 463144341 /nfs/dbraw/zinc/14/43/41/463144341.db2.gz GQRXJKWLHCATOI-HNNXBMFYSA-N 1 2 325.416 2.065 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000078730442 463144344 /nfs/dbraw/zinc/14/43/44/463144344.db2.gz GQRXJKWLHCATOI-HNNXBMFYSA-N 1 2 325.416 2.065 20 30 EEEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000026207683 463154669 /nfs/dbraw/zinc/15/46/69/463154669.db2.gz SDRJNTKYGGHLNX-UHFFFAOYSA-N 1 2 337.379 2.415 20 30 EEEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000026207683 463154673 /nfs/dbraw/zinc/15/46/73/463154673.db2.gz SDRJNTKYGGHLNX-UHFFFAOYSA-N 1 2 337.379 2.415 20 30 EEEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c(C#N)c1C ZINC000135557758 463175660 /nfs/dbraw/zinc/17/56/60/463175660.db2.gz GLNIJGJPBPEKSD-OAHLLOKOSA-N 1 2 341.415 2.450 20 30 EEEDLO Cc1oc(NC(=O)C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c(C#N)c1C ZINC000135557758 463175667 /nfs/dbraw/zinc/17/56/67/463175667.db2.gz GLNIJGJPBPEKSD-OAHLLOKOSA-N 1 2 341.415 2.450 20 30 EEEDLO NC(=[NH+]OCC(=O)NCCC1=CCCCC1)c1ccc2c(c1)CCO2 ZINC000158184630 463214045 /nfs/dbraw/zinc/21/40/45/463214045.db2.gz LOZWEYRJQFHNGI-UHFFFAOYSA-N 1 2 343.427 2.265 20 30 EEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000054292477 463224983 /nfs/dbraw/zinc/22/49/83/463224983.db2.gz FXFKSBXQOGPJEJ-INIZCTEOSA-N 1 2 335.492 2.182 20 30 EEEDLO COc1ccc(C)cc1NC(=O)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000054391071 463232749 /nfs/dbraw/zinc/23/27/49/463232749.db2.gz RLROSYINMSCOGQ-UHFFFAOYSA-N 1 2 348.428 2.239 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000158591255 463243094 /nfs/dbraw/zinc/24/30/94/463243094.db2.gz ORBNFRCLEKXXMQ-HXUWFJFHSA-N 1 2 326.440 2.361 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000158591255 463243095 /nfs/dbraw/zinc/24/30/95/463243095.db2.gz ORBNFRCLEKXXMQ-HXUWFJFHSA-N 1 2 326.440 2.361 20 30 EEEDLO CC(C)(C#N)C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000055097670 463284152 /nfs/dbraw/zinc/28/41/52/463284152.db2.gz ZFZRYLKZYOUEDD-UHFFFAOYSA-N 1 2 335.835 2.413 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)c2c[nH]c3ncccc23)n1 ZINC000491495367 468359749 /nfs/dbraw/zinc/35/97/49/468359749.db2.gz IRRCLYWMPASKMX-CQSZACIVSA-N 1 2 335.411 2.486 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)c2c[nH]c3ncccc23)n1 ZINC000491495367 468359754 /nfs/dbraw/zinc/35/97/54/468359754.db2.gz IRRCLYWMPASKMX-CQSZACIVSA-N 1 2 335.411 2.486 20 30 EEEDLO N#CC1CC[NH+](CC(=O)Nc2ccnn2Cc2cccs2)CC1 ZINC000057879407 463525995 /nfs/dbraw/zinc/52/59/95/463525995.db2.gz NSMQTPVAMKGUQD-UHFFFAOYSA-N 1 2 329.429 2.167 20 30 EEEDLO N#CCC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000151414521 463526614 /nfs/dbraw/zinc/52/66/14/463526614.db2.gz CAHLHHWBSLAMCL-QZTJIDSGSA-N 1 2 342.443 2.148 20 30 EEEDLO CCn1cc(C[N@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)cn1 ZINC000083173206 463538600 /nfs/dbraw/zinc/53/86/00/463538600.db2.gz XZUXQZRFENUBEF-AWEZNQCLSA-N 1 2 329.429 2.073 20 30 EEEDLO CCn1cc(C[N@@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)cn1 ZINC000083173206 463538602 /nfs/dbraw/zinc/53/86/02/463538602.db2.gz XZUXQZRFENUBEF-AWEZNQCLSA-N 1 2 329.429 2.073 20 30 EEEDLO C[C@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2cc(C#N)cs2)C[C@H](C)O1 ZINC000084183070 463583490 /nfs/dbraw/zinc/58/34/90/463583490.db2.gz DZUWKSJJSNUVNU-YDHLFZDLSA-N 1 2 333.457 2.334 20 30 EEEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cccc(CC#N)c3)CC2)S1 ZINC000073117262 463585474 /nfs/dbraw/zinc/58/54/74/463585474.db2.gz WCSVMQNOZNHCMU-ZDUSSCGKSA-N 1 2 328.441 2.002 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N([C@H](C)C2CC2)C2CC2)cc1 ZINC000177474535 463714118 /nfs/dbraw/zinc/71/41/18/463714118.db2.gz MOEUPMCADZNKLP-GFCCVEGCSA-N 1 2 331.416 2.122 20 30 EEEDLO COC(=O)c1ccsc1N1CC[C@@H]([NH+]2CCC(CC#N)CC2)C1=O ZINC000541024863 468375129 /nfs/dbraw/zinc/37/51/29/468375129.db2.gz QQCKFGITSJYSQX-CQSZACIVSA-N 1 2 347.440 2.266 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ncc(F)cc3F)CC2)cc1 ZINC000277009224 463840991 /nfs/dbraw/zinc/84/09/91/463840991.db2.gz BOLLTDAZCADXGO-UHFFFAOYSA-N 1 2 342.349 2.189 20 30 EEEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000590954081 468381736 /nfs/dbraw/zinc/38/17/36/468381736.db2.gz IHWMCHTVOLHGLC-UHFFFAOYSA-N 1 2 346.822 2.096 20 30 EEEDLO C#CCn1ccc(CN(CC)c2cc(NCCCC)[nH+]c(N)n2)n1 ZINC000287625669 463948930 /nfs/dbraw/zinc/94/89/30/463948930.db2.gz GUUIYBSWLHXTFU-UHFFFAOYSA-N 1 2 327.436 2.127 20 30 EEEDLO C#CCn1ccc(CN(CC)c2cc(NCCCC)nc(N)[nH+]2)n1 ZINC000287625669 463948934 /nfs/dbraw/zinc/94/89/34/463948934.db2.gz GUUIYBSWLHXTFU-UHFFFAOYSA-N 1 2 327.436 2.127 20 30 EEEDLO O=C(C[C@H]1CCOC1)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000329786336 465434835 /nfs/dbraw/zinc/43/48/35/465434835.db2.gz QPMFVVFHENXGLO-GFCCVEGCSA-N 1 2 330.388 2.414 20 30 EEEDLO CC1(C)C[N@H+](CCNC(=O)N[C@@H](CCC#N)c2ccccc2)CCO1 ZINC000178815089 463982824 /nfs/dbraw/zinc/98/28/24/463982824.db2.gz VKILDYNTRVKEBL-KRWDZBQOSA-N 1 2 344.459 2.441 20 30 EEEDLO CC1(C)C[N@@H+](CCNC(=O)N[C@@H](CCC#N)c2ccccc2)CCO1 ZINC000178815089 463982827 /nfs/dbraw/zinc/98/28/27/463982827.db2.gz VKILDYNTRVKEBL-KRWDZBQOSA-N 1 2 344.459 2.441 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC[C@H](O)c2ccccc2)cc1OC ZINC000288544786 464049213 /nfs/dbraw/zinc/04/92/13/464049213.db2.gz IKFUWZSCQADDPI-HNNXBMFYSA-N 1 2 330.384 2.464 20 30 EEEDLO C=CC[N@H+](CCc1ccco1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290109503 464108398 /nfs/dbraw/zinc/10/83/98/464108398.db2.gz YFLCAJYWUPSNHO-UHFFFAOYSA-N 1 2 345.424 2.051 20 30 EEEDLO C=CC[N@@H+](CCc1ccco1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290109503 464108403 /nfs/dbraw/zinc/10/84/03/464108403.db2.gz YFLCAJYWUPSNHO-UHFFFAOYSA-N 1 2 345.424 2.051 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000523439606 468393759 /nfs/dbraw/zinc/39/37/59/468393759.db2.gz FLUHPVCJUCYFOB-GXTWGEPZSA-N 1 2 335.370 2.084 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000523439606 468393762 /nfs/dbraw/zinc/39/37/62/468393762.db2.gz FLUHPVCJUCYFOB-GXTWGEPZSA-N 1 2 335.370 2.084 20 30 EEEDLO C=CCCCCCN(C)C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000284348273 464159757 /nfs/dbraw/zinc/15/97/57/464159757.db2.gz MVFYNKAQUZLGII-UHFFFAOYSA-N 1 2 342.443 2.198 20 30 EEEDLO C=CCOCCCC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000173093775 464190079 /nfs/dbraw/zinc/19/00/79/464190079.db2.gz PSUIZONPKVDUPQ-UHFFFAOYSA-N 1 2 337.489 2.469 20 30 EEEDLO C=CCOCCCC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000173093775 464190086 /nfs/dbraw/zinc/19/00/86/464190086.db2.gz PSUIZONPKVDUPQ-UHFFFAOYSA-N 1 2 337.489 2.469 20 30 EEEDLO C=CCS(=O)(=O)CC[NH2+]Cc1c(F)cccc1Br ZINC000280188975 464192641 /nfs/dbraw/zinc/19/26/41/464192641.db2.gz HARSUNWOQCLYPD-UHFFFAOYSA-N 1 2 336.226 2.279 20 30 EEEDLO C=C(C)[C@H](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)OCC ZINC000270159447 464203061 /nfs/dbraw/zinc/20/30/61/464203061.db2.gz YKNHONIIHNBIQF-MOPGFXCFSA-N 1 2 346.471 2.375 20 30 EEEDLO C=C(C)[C@H](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)OCC ZINC000270159447 464203063 /nfs/dbraw/zinc/20/30/63/464203063.db2.gz YKNHONIIHNBIQF-MOPGFXCFSA-N 1 2 346.471 2.375 20 30 EEEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3ccc(CC#N)cc3)CC2)S1 ZINC000270344517 464251651 /nfs/dbraw/zinc/25/16/51/464251651.db2.gz RMZWBLGFYUKZJQ-UHFFFAOYSA-N 1 2 342.468 2.392 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2)C1=O ZINC000281265978 464392726 /nfs/dbraw/zinc/39/27/26/464392726.db2.gz HSPQQNBWLDOPTF-IUODEOHRSA-N 1 2 335.835 2.386 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2)C1=O ZINC000281265978 464392732 /nfs/dbraw/zinc/39/27/32/464392732.db2.gz HSPQQNBWLDOPTF-IUODEOHRSA-N 1 2 335.835 2.386 20 30 EEEDLO C=CCCCS(=O)(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000293283491 464397236 /nfs/dbraw/zinc/39/72/36/464397236.db2.gz HUBGRFQLHDSLEQ-UHFFFAOYSA-N 1 2 325.356 2.173 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccoc3)CC2)cc1 ZINC000284968689 464410273 /nfs/dbraw/zinc/41/02/73/464410273.db2.gz AXPUNURKLVYRDS-UHFFFAOYSA-N 1 2 345.424 2.048 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccoc3)CC2)cc1 ZINC000284968689 464410278 /nfs/dbraw/zinc/41/02/78/464410278.db2.gz AXPUNURKLVYRDS-UHFFFAOYSA-N 1 2 345.424 2.048 20 30 EEEDLO N#C[C@@]1(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC12CCCC2 ZINC000294273610 464451817 /nfs/dbraw/zinc/45/18/17/464451817.db2.gz DKWXMAPJUCRUKR-LJQANCHMSA-N 1 2 340.427 2.008 20 30 EEEDLO CCOC1CC2(C1)CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C2 ZINC000285370563 464539146 /nfs/dbraw/zinc/53/91/46/464539146.db2.gz BYQWEBFESYPIPF-UHFFFAOYSA-N 1 2 348.468 2.223 20 30 EEEDLO CCOC1CC2(C1)CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C2 ZINC000285370563 464539152 /nfs/dbraw/zinc/53/91/52/464539152.db2.gz BYQWEBFESYPIPF-UHFFFAOYSA-N 1 2 348.468 2.223 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](CC)CC(=O)Nc2c(C)cccc2C)C1=O ZINC000281876325 464617396 /nfs/dbraw/zinc/61/73/96/464617396.db2.gz CQBMONRPUNRUQE-INIZCTEOSA-N 1 2 329.444 2.351 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](CC)CC(=O)Nc2c(C)cccc2C)C1=O ZINC000281876325 464617404 /nfs/dbraw/zinc/61/74/04/464617404.db2.gz CQBMONRPUNRUQE-INIZCTEOSA-N 1 2 329.444 2.351 20 30 EEEDLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000294901349 464642504 /nfs/dbraw/zinc/64/25/04/464642504.db2.gz AOHILQXFYCGKJT-UHFFFAOYSA-N 1 2 349.500 2.382 20 30 EEEDLO CCS(=O)(=O)CCCCC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000190498019 464659793 /nfs/dbraw/zinc/65/97/93/464659793.db2.gz IYSISEWCVQVSGR-UHFFFAOYSA-N 1 2 349.500 2.285 20 30 EEEDLO Cc1cccc(CCC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000247864803 464710973 /nfs/dbraw/zinc/71/09/73/464710973.db2.gz IBQKMWXHNAXPFJ-UHFFFAOYSA-N 1 2 329.444 2.002 20 30 EEEDLO COC(=O)N1CCN(c2ccc(N[C@H]3CCC[C@H](C#N)C3)c[nH+]2)CC1 ZINC000295123513 464714049 /nfs/dbraw/zinc/71/40/49/464714049.db2.gz YWRGZQFPVGIVIY-GJZGRUSLSA-N 1 2 343.431 2.464 20 30 EEEDLO CC(C)COC[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccco1 ZINC000273489539 464718641 /nfs/dbraw/zinc/71/86/41/464718641.db2.gz KCMMZPZRKXFXEM-INIZCTEOSA-N 1 2 346.431 2.239 20 30 EEEDLO C=CCc1cc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)cc(OC)c1O ZINC000274156776 464735668 /nfs/dbraw/zinc/73/56/68/464735668.db2.gz UDTHRYAWJRQPLC-HNNXBMFYSA-N 1 2 339.457 2.138 20 30 EEEDLO C=CCc1cc(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)cc(OC)c1O ZINC000274156776 464735673 /nfs/dbraw/zinc/73/56/73/464735673.db2.gz UDTHRYAWJRQPLC-HNNXBMFYSA-N 1 2 339.457 2.138 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000275506902 464776967 /nfs/dbraw/zinc/77/69/67/464776967.db2.gz CMLKYBZDQZCDMK-UYAOXDASSA-N 1 2 346.471 2.232 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000275506902 464776973 /nfs/dbraw/zinc/77/69/73/464776973.db2.gz CMLKYBZDQZCDMK-UYAOXDASSA-N 1 2 346.471 2.232 20 30 EEEDLO CCc1nnc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c(C#N)c1CC ZINC000268236655 464987321 /nfs/dbraw/zinc/98/73/21/464987321.db2.gz WMTSPGJVOBJIRA-GFCCVEGCSA-N 1 2 344.488 2.086 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000342547700 465328624 /nfs/dbraw/zinc/32/86/24/465328624.db2.gz KUBMPAZHVVLTOK-RBUKOAKNSA-N 1 2 341.455 2.255 20 30 EEEDLO CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000329467304 465343608 /nfs/dbraw/zinc/34/36/08/465343608.db2.gz WNWJGLPSWAKZFR-CQSZACIVSA-N 1 2 341.415 2.484 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)C(C)(C)CO ZINC000298259051 465348276 /nfs/dbraw/zinc/34/82/76/465348276.db2.gz FISSLFIHXUECBW-AWEZNQCLSA-N 1 2 345.378 2.312 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000329634082 465393195 /nfs/dbraw/zinc/39/31/95/465393195.db2.gz WYYFXYHVXWSNBX-RHSMWYFYSA-N 1 2 344.390 2.394 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000329634082 465393197 /nfs/dbraw/zinc/39/31/97/465393197.db2.gz WYYFXYHVXWSNBX-RHSMWYFYSA-N 1 2 344.390 2.394 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000359540778 465443101 /nfs/dbraw/zinc/44/31/01/465443101.db2.gz PYPYQJZIFLQVTD-GFCCVEGCSA-N 1 2 337.351 2.160 20 30 EEEDLO CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000329870515 465458031 /nfs/dbraw/zinc/45/80/31/465458031.db2.gz BRKGXNUICIDRDI-IBGZPJMESA-N 1 2 348.443 2.422 20 30 EEEDLO CC(C)Oc1cccc(CNC(=O)C[N@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000329870515 465458036 /nfs/dbraw/zinc/45/80/36/465458036.db2.gz BRKGXNUICIDRDI-IBGZPJMESA-N 1 2 348.443 2.422 20 30 EEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC000329986820 465497599 /nfs/dbraw/zinc/49/75/99/465497599.db2.gz SDMYQGJVOIPIAR-OBJOEFQTSA-N 1 2 338.383 2.279 20 30 EEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC000329986820 465497603 /nfs/dbraw/zinc/49/76/03/465497603.db2.gz SDMYQGJVOIPIAR-OBJOEFQTSA-N 1 2 338.383 2.279 20 30 EEEDLO CN(C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000337693301 465522679 /nfs/dbraw/zinc/52/26/79/465522679.db2.gz WLADLQCHSPGSCQ-UHFFFAOYSA-N 1 2 334.423 2.343 20 30 EEEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000352954551 465574779 /nfs/dbraw/zinc/57/47/79/465574779.db2.gz UFTOPDHTBNRQDR-AWEZNQCLSA-N 1 2 347.463 2.219 20 30 EEEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000352954551 465574784 /nfs/dbraw/zinc/57/47/84/465574784.db2.gz UFTOPDHTBNRQDR-AWEZNQCLSA-N 1 2 347.463 2.219 20 30 EEEDLO CCc1cnc(NC(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000330286069 465599793 /nfs/dbraw/zinc/59/97/93/465599793.db2.gz AFOLLZQVZZRVOQ-LBPRGKRZSA-N 1 2 334.449 2.353 20 30 EEEDLO CCN1CCN(C(=O)Nc2cccc3c2OCO3)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330340337 465621394 /nfs/dbraw/zinc/62/13/94/465621394.db2.gz XUWDYLKQODDWGV-CYBMUJFWSA-N 1 2 343.387 2.063 20 30 EEEDLO N#Cc1cccc([C@H]2CN(C(=O)c3ccc4[nH+]ccn4c3)CCO2)c1 ZINC000371259501 465672668 /nfs/dbraw/zinc/67/26/68/465672668.db2.gz TYSPKXIAAPUQQW-QGZVFWFLSA-N 1 2 332.363 2.420 20 30 EEEDLO CC(C)(C)OC(=O)C1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000330489892 465679159 /nfs/dbraw/zinc/67/91/59/465679159.db2.gz MRFCDSWFWLNEPY-UHFFFAOYSA-N 1 2 349.475 2.383 20 30 EEEDLO C=CCSCCNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000348716741 465753186 /nfs/dbraw/zinc/75/31/86/465753186.db2.gz TWVXMOIOQONUNA-UHFFFAOYSA-N 1 2 342.468 3.046 20 30 EEEDLO CCOC(=O)c1coc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000353378481 465843017 /nfs/dbraw/zinc/84/30/17/465843017.db2.gz GQRGJPMQTMVQPK-UHFFFAOYSA-N 1 2 340.383 2.045 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000299720576 465869784 /nfs/dbraw/zinc/86/97/84/465869784.db2.gz ZKJMIFOKVATFFU-QGZVFWFLSA-N 1 2 332.444 2.333 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1ccc(F)cc1C#N)CCC2 ZINC000366704832 465887437 /nfs/dbraw/zinc/88/74/37/465887437.db2.gz SYAFWTJDDPLNGG-LBPRGKRZSA-N 1 2 348.403 2.058 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000345836432 465906566 /nfs/dbraw/zinc/90/65/66/465906566.db2.gz TZONSPUWRICWLS-PKOBYXMFSA-N 1 2 344.455 2.321 20 30 EEEDLO Cc1cnc(N2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)s1 ZINC000331147005 465955182 /nfs/dbraw/zinc/95/51/82/465955182.db2.gz MLTCNEQYQVPZOQ-WMLDXEAASA-N 1 2 349.504 2.017 20 30 EEEDLO COCc1nc(C)c(C(=O)NC(C)(C)C[NH+]2CCOCC2)s1 ZINC000331301042 466021140 /nfs/dbraw/zinc/02/11/40/466021140.db2.gz ABPSIKJEXYNHSK-UHFFFAOYSA-N 1 2 327.450 2.013 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000361547718 466092054 /nfs/dbraw/zinc/09/20/54/466092054.db2.gz GTBQWUMWFMHVBR-ZDUSSCGKSA-N 1 2 344.242 2.379 20 30 EEEDLO Cc1cncc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000340491687 466126688 /nfs/dbraw/zinc/12/66/88/466126688.db2.gz FDTCNERIXUDPAM-UHFFFAOYSA-N 1 2 349.438 2.289 20 30 EEEDLO C=CCN(C(=O)[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C)C1CC1 ZINC000346989387 466300177 /nfs/dbraw/zinc/30/01/77/466300177.db2.gz WVIDQAFBOXWCTM-QAPCUYQASA-N 1 2 342.443 2.039 20 30 EEEDLO Cc1cccn2c(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)cnc12 ZINC000349974568 466335796 /nfs/dbraw/zinc/33/57/96/466335796.db2.gz PWDLTDVYILFCDM-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO Cc1cccn2c(CN3CCN(c4cc(C#N)ccn4)CC3)c[nH+]c12 ZINC000349974568 466335801 /nfs/dbraw/zinc/33/58/01/466335801.db2.gz PWDLTDVYILFCDM-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@H+](CCC(=O)Nc3cccnc3)CCO2)c1 ZINC000361861882 466356897 /nfs/dbraw/zinc/35/68/97/466356897.db2.gz IVFCYMGDYINIOI-SFHVURJKSA-N 1 2 336.395 2.355 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCC(=O)Nc3cccnc3)CCO2)c1 ZINC000361861882 466356904 /nfs/dbraw/zinc/35/69/04/466356904.db2.gz IVFCYMGDYINIOI-SFHVURJKSA-N 1 2 336.395 2.355 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2C)c1C#N ZINC000340884194 466408004 /nfs/dbraw/zinc/40/80/04/466408004.db2.gz BNWSGLYACBIPEP-BLLLJJGKSA-N 1 2 344.459 2.485 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2C)c1C#N ZINC000340884194 466408015 /nfs/dbraw/zinc/40/80/15/466408015.db2.gz BNWSGLYACBIPEP-BLLLJJGKSA-N 1 2 344.459 2.485 20 30 EEEDLO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000332570204 466544633 /nfs/dbraw/zinc/54/46/33/466544633.db2.gz YSWWFUCPBNWPSL-GOSISDBHSA-N 1 2 340.471 2.471 20 30 EEEDLO C=CCN1CC(=O)N([C@H](c2[nH+]ccn2C)c2ccccc2F)C1=O ZINC000368894272 466704983 /nfs/dbraw/zinc/70/49/83/466704983.db2.gz KXPBWGFZWCBZPO-HNNXBMFYSA-N 1 2 328.347 2.099 20 30 EEEDLO COC(=O)[C@@H]1CCC[N@H+](CCC2(C#N)CCCCC2)[C@@H]1C(=O)OC ZINC000411399986 466819664 /nfs/dbraw/zinc/81/96/64/466819664.db2.gz SNUSRWQUVQENPW-CABCVRRESA-N 1 2 336.432 2.277 20 30 EEEDLO COC(=O)[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)[C@@H]1C(=O)OC ZINC000411399986 466819667 /nfs/dbraw/zinc/81/96/67/466819667.db2.gz SNUSRWQUVQENPW-CABCVRRESA-N 1 2 336.432 2.277 20 30 EEEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCCc3c(cnn3C)C2)c(C#N)c1C ZINC000411863293 466921118 /nfs/dbraw/zinc/92/11/18/466921118.db2.gz ZEOLQVUXUPXVPL-GFCCVEGCSA-N 1 2 341.415 2.277 20 30 EEEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCCc3c(cnn3C)C2)c(C#N)c1C ZINC000411863293 466921121 /nfs/dbraw/zinc/92/11/21/466921121.db2.gz ZEOLQVUXUPXVPL-GFCCVEGCSA-N 1 2 341.415 2.277 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnc4n3CCCC4)CC2)cc1 ZINC000371024946 467074494 /nfs/dbraw/zinc/07/44/94/467074494.db2.gz KEFUVPQSBQGUNQ-UHFFFAOYSA-N 1 2 349.438 2.049 20 30 EEEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc2c1C[N@H+](C)C2 ZINC000427783706 467178283 /nfs/dbraw/zinc/17/82/83/467178283.db2.gz ZDFQCECDQZEQQJ-UHFFFAOYSA-N 1 2 343.408 2.313 20 30 EEEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc2c1C[N@@H+](C)C2 ZINC000427783706 467178285 /nfs/dbraw/zinc/17/82/85/467178285.db2.gz ZDFQCECDQZEQQJ-UHFFFAOYSA-N 1 2 343.408 2.313 20 30 EEEDLO C[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CS1 ZINC000413723269 467300013 /nfs/dbraw/zinc/30/00/13/467300013.db2.gz QBSSFAXEZZZXRR-WMLDXEAASA-N 1 2 344.484 2.279 20 30 EEEDLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(C#N)s3)[nH+]cn2)C1 ZINC000420652574 467443003 /nfs/dbraw/zinc/44/30/03/467443003.db2.gz MSROXNXWXAGQDI-RYUDHWBXSA-N 1 2 329.429 2.229 20 30 EEEDLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(C#N)s3)nc[nH+]2)C1 ZINC000420652574 467443008 /nfs/dbraw/zinc/44/30/08/467443008.db2.gz MSROXNXWXAGQDI-RYUDHWBXSA-N 1 2 329.429 2.229 20 30 EEEDLO N#Cc1cccc(C2(C(=O)N3CC[NH+](Cc4cccnc4)CC3)CC2)c1 ZINC000435049987 467443299 /nfs/dbraw/zinc/44/32/99/467443299.db2.gz JKWUCCOLWNEFLC-UHFFFAOYSA-N 1 2 346.434 2.329 20 30 EEEDLO N#CCCC1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000399305988 467453882 /nfs/dbraw/zinc/45/38/82/467453882.db2.gz CGCZQBZPJFZQRR-UHFFFAOYSA-N 1 2 331.441 2.348 20 30 EEEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H]1C ZINC000408155727 467519419 /nfs/dbraw/zinc/51/94/19/467519419.db2.gz SYRXHFCDGVZKQA-NEPJUHHUSA-N 1 2 341.864 2.315 20 30 EEEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H]1C ZINC000408155727 467519422 /nfs/dbraw/zinc/51/94/22/467519422.db2.gz SYRXHFCDGVZKQA-NEPJUHHUSA-N 1 2 341.864 2.315 20 30 EEEDLO C=CCCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000437871884 467557551 /nfs/dbraw/zinc/55/75/51/467557551.db2.gz VYWNMZTWYWYOSY-MSOLQXFVSA-N 1 2 329.444 2.247 20 30 EEEDLO C=CCCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000437871884 467557553 /nfs/dbraw/zinc/55/75/53/467557553.db2.gz VYWNMZTWYWYOSY-MSOLQXFVSA-N 1 2 329.444 2.247 20 30 EEEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000448764170 467600673 /nfs/dbraw/zinc/60/06/73/467600673.db2.gz KIXRGQZXGKFFIB-YMTOWFKASA-N 1 2 333.189 2.263 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000455413176 467677693 /nfs/dbraw/zinc/67/76/93/467677693.db2.gz QKTTUZJEGBTKPR-BMFZPTHFSA-N 1 2 335.473 2.480 20 30 EEEDLO CC(C)C[C@H]1COCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528383543 467681358 /nfs/dbraw/zinc/68/13/58/467681358.db2.gz SAJKOMVSKMKPKE-INIZCTEOSA-N 1 2 340.423 2.033 20 30 EEEDLO CC(C)C[C@H]1COCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528383543 467681362 /nfs/dbraw/zinc/68/13/62/467681362.db2.gz SAJKOMVSKMKPKE-INIZCTEOSA-N 1 2 340.423 2.033 20 30 EEEDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000496953441 467751571 /nfs/dbraw/zinc/75/15/71/467751571.db2.gz AFIPWNVLJOMNRC-ZDUSSCGKSA-N 1 2 339.342 2.432 20 30 EEEDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000496953441 467751574 /nfs/dbraw/zinc/75/15/74/467751574.db2.gz AFIPWNVLJOMNRC-ZDUSSCGKSA-N 1 2 339.342 2.432 20 30 EEEDLO C=CCOc1ccc(/C=C/C(=O)NCc2c[nH+]cn2C)cc1OC ZINC000493299242 467882054 /nfs/dbraw/zinc/88/20/54/467882054.db2.gz JXKNDBZFMYRNPX-SOFGYWHQSA-N 1 2 327.384 2.323 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494215973 468037460 /nfs/dbraw/zinc/03/74/60/468037460.db2.gz LNURSBOPADCCPA-OAHLLOKOSA-N 1 2 335.473 2.309 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494215973 468037463 /nfs/dbraw/zinc/03/74/63/468037463.db2.gz LNURSBOPADCCPA-OAHLLOKOSA-N 1 2 335.473 2.309 20 30 EEEDLO CC1CC(C#N)(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000531562047 468061059 /nfs/dbraw/zinc/06/10/59/468061059.db2.gz JPDUTLUGMCTXEX-UHFFFAOYSA-N 1 2 327.428 2.149 20 30 EEEDLO C=C1CC[NH+](CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000517468136 468085472 /nfs/dbraw/zinc/08/54/72/468085472.db2.gz BWWIPVGOIGDEPM-UHFFFAOYSA-N 1 2 341.455 2.191 20 30 EEEDLO CC(C)(C)OC(=O)N1CCN(Cc2c[nH+]c3ccccn23)[C@@H](C#N)C1 ZINC000495689380 468099836 /nfs/dbraw/zinc/09/98/36/468099836.db2.gz SQURACMRKPRTPS-AWEZNQCLSA-N 1 2 341.415 2.279 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1csc(Cc2ccccc2F)n1 ZINC000565484306 468132159 /nfs/dbraw/zinc/13/21/59/468132159.db2.gz MQWZNLPOGFLSMB-QGZVFWFLSA-N 1 2 346.431 2.447 20 30 EEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000575759232 468152946 /nfs/dbraw/zinc/15/29/46/468152946.db2.gz PTVLXUMGUWBULP-HNNXBMFYSA-N 1 2 345.447 2.234 20 30 EEEDLO C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000575992051 468157577 /nfs/dbraw/zinc/15/75/77/468157577.db2.gz NLNAHSZBMPYJIA-NHYWBVRUSA-N 1 2 343.349 2.433 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1ccc(Cl)cc1Cl ZINC000577454750 468184827 /nfs/dbraw/zinc/18/48/27/468184827.db2.gz NYBLAPINUIOBKQ-CQSZACIVSA-N 1 2 330.215 2.332 20 30 EEEDLO N#Cc1cccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)n1 ZINC000589853287 468189785 /nfs/dbraw/zinc/18/97/85/468189785.db2.gz IKTRGXPCFNCOGM-MRXNPFEDSA-N 1 2 326.787 2.393 20 30 EEEDLO C#CCNC(=O)c1ccc(N[C@@H](c2[nH+]ccn2C)c2ccccc2)nc1 ZINC000490672202 468232803 /nfs/dbraw/zinc/23/28/03/468232803.db2.gz WQNBUNPXSMJWDU-GOSISDBHSA-N 1 2 345.406 2.380 20 30 EEEDLO C#CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C(=O)OC ZINC000496432571 468243322 /nfs/dbraw/zinc/24/33/22/468243322.db2.gz DFIZWOAYKZNBOD-KFWWJZLASA-N 1 2 338.448 2.177 20 30 EEEDLO N#C[C@@]1(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CCSC1 ZINC000591815590 468525172 /nfs/dbraw/zinc/52/51/72/468525172.db2.gz RILXBLYFEZPFDO-YOEHRIQHSA-N 1 2 326.425 2.447 20 30 EEEDLO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000569814770 468548133 /nfs/dbraw/zinc/54/81/33/468548133.db2.gz JOWVBTJBELWRGA-NHYWBVRUSA-N 1 2 343.349 2.433 20 30 EEEDLO CCc1ccccc1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000570409680 468636058 /nfs/dbraw/zinc/63/60/58/468636058.db2.gz BAURKOWNMRFGTD-UHFFFAOYSA-N 1 2 337.423 2.163 20 30 EEEDLO C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c2ccccc2S1 ZINC000592145459 468636838 /nfs/dbraw/zinc/63/68/38/468636838.db2.gz VXJOOWCDRMLGQY-KSSFIOAISA-N 1 2 345.468 2.254 20 30 EEEDLO C[C@H]1CCN(C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c2ccccc2S1 ZINC000592145459 468636842 /nfs/dbraw/zinc/63/68/42/468636842.db2.gz VXJOOWCDRMLGQY-KSSFIOAISA-N 1 2 345.468 2.254 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000592152078 468640591 /nfs/dbraw/zinc/64/05/91/468640591.db2.gz TYLWPRKFOXRPNZ-QKKBWIMNSA-N 1 2 347.267 2.451 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000592152078 468640596 /nfs/dbraw/zinc/64/05/96/468640596.db2.gz TYLWPRKFOXRPNZ-QKKBWIMNSA-N 1 2 347.267 2.451 20 30 EEEDLO COc1cc(C#N)ccc1OCCCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597863182 468697649 /nfs/dbraw/zinc/69/76/49/468697649.db2.gz KMQWEMRJSCVSKU-UHFFFAOYSA-N 1 2 328.372 2.108 20 30 EEEDLO COc1cc(C#N)ccc1OCCCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597863182 468697655 /nfs/dbraw/zinc/69/76/55/468697655.db2.gz KMQWEMRJSCVSKU-UHFFFAOYSA-N 1 2 328.372 2.108 20 30 EEEDLO N#CCCCOc1cccc(C[NH2+]Cc2nc(C(N)=O)cs2)c1 ZINC000594982341 468737417 /nfs/dbraw/zinc/73/74/17/468737417.db2.gz FCUYRRYRSNWLNO-UHFFFAOYSA-N 1 2 330.413 2.214 20 30 EEEDLO Cc1nc(NCc2cccc(C(=O)N([C@@H](C)C#N)C3CC3)c2)cc[nH+]1 ZINC000598131792 468774795 /nfs/dbraw/zinc/77/47/95/468774795.db2.gz CYJJCWUYPPQVHL-ZDUSSCGKSA-N 1 2 335.411 2.914 20 30 EEEDLO N#CC1(NC(=O)C[NH+]2CCC(c3ncccc3Cl)CC2)CCC1 ZINC000571426354 468788168 /nfs/dbraw/zinc/78/81/68/468788168.db2.gz QGCIVTUMFBCGPW-UHFFFAOYSA-N 1 2 332.835 2.477 20 30 EEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(Cl)c(C#N)c1 ZINC000561202526 468876036 /nfs/dbraw/zinc/87/60/36/468876036.db2.gz FJEPWMBNDQUSPN-SWLSCSKDSA-N 1 2 333.819 2.147 20 30 EEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c2c1c(C)n[nH]c2=O ZINC000595613187 468921656 /nfs/dbraw/zinc/92/16/56/468921656.db2.gz AMWUFMRRDQUBQY-LBPRGKRZSA-N 1 2 343.387 2.109 20 30 EEEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c2c1c(C)n[nH]c2=O ZINC000595613187 468921664 /nfs/dbraw/zinc/92/16/64/468921664.db2.gz AMWUFMRRDQUBQY-LBPRGKRZSA-N 1 2 343.387 2.109 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822389 469027867 /nfs/dbraw/zinc/02/78/67/469027867.db2.gz SKXBDDQLBZZCFG-KDOFPFPSSA-N 1 2 333.476 2.320 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822389 469027874 /nfs/dbraw/zinc/02/78/74/469027874.db2.gz SKXBDDQLBZZCFG-KDOFPFPSSA-N 1 2 333.476 2.320 20 30 EEEDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2cc(C#N)ncn2)c2ccc(Cl)cc2)C1 ZINC000573902238 469225856 /nfs/dbraw/zinc/22/58/56/469225856.db2.gz CMSLVTVDCXMTRC-NVXWUHKLSA-N 1 2 343.818 2.485 20 30 EEEDLO C[N@H+]1CCO[C@@H]([C@H](Nc2cc(C#N)ncn2)c2ccc(Cl)cc2)C1 ZINC000573902238 469225862 /nfs/dbraw/zinc/22/58/62/469225862.db2.gz CMSLVTVDCXMTRC-NVXWUHKLSA-N 1 2 343.818 2.485 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1cc(Br)cs1 ZINC000565428265 469273855 /nfs/dbraw/zinc/27/38/55/469273855.db2.gz NHGZHZPOIYNWLY-CYBMUJFWSA-N 1 2 344.278 2.403 20 30 EEEDLO COC(=O)[C@H]1CC[C@H](C(=O)OC)C[N@H+]1CCC1(C#N)CCCCC1 ZINC000599579269 469297869 /nfs/dbraw/zinc/29/78/69/469297869.db2.gz DHDVJENIMNBQRI-LSDHHAIUSA-N 1 2 336.432 2.277 20 30 EEEDLO COC(=O)[C@H]1CC[C@H](C(=O)OC)C[N@@H+]1CCC1(C#N)CCCCC1 ZINC000599579269 469297873 /nfs/dbraw/zinc/29/78/73/469297873.db2.gz DHDVJENIMNBQRI-LSDHHAIUSA-N 1 2 336.432 2.277 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000596703728 469339040 /nfs/dbraw/zinc/33/90/40/469339040.db2.gz STBSNFSADOQRKK-KBPBESRZSA-N 1 2 346.431 2.188 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000596703728 469339043 /nfs/dbraw/zinc/33/90/43/469339043.db2.gz STBSNFSADOQRKK-KBPBESRZSA-N 1 2 346.431 2.188 20 30 EEEDLO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161178 469408477 /nfs/dbraw/zinc/40/84/77/469408477.db2.gz ONMXSTLILBMXAS-PXNSSMCTSA-N 1 2 340.471 2.349 20 30 EEEDLO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161178 469408482 /nfs/dbraw/zinc/40/84/82/469408482.db2.gz ONMXSTLILBMXAS-PXNSSMCTSA-N 1 2 340.471 2.349 20 30 EEEDLO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612164859 469409486 /nfs/dbraw/zinc/40/94/86/469409486.db2.gz HMNGGDQKEYKFEO-AEFFLSMTSA-N 1 2 331.416 2.010 20 30 EEEDLO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612164859 469409489 /nfs/dbraw/zinc/40/94/89/469409489.db2.gz HMNGGDQKEYKFEO-AEFFLSMTSA-N 1 2 331.416 2.010 20 30 EEEDLO Cc1occc1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000604317715 469468224 /nfs/dbraw/zinc/46/82/24/469468224.db2.gz WKCRTZUYVBWUMD-UHFFFAOYSA-N 1 2 338.411 2.487 20 30 EEEDLO C[C@@H]1CCN(S(=O)(=O)c2cccc(CC#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000619490963 469624431 /nfs/dbraw/zinc/62/44/31/469624431.db2.gz WLIZRCPRDUHOEM-PBHICJAKSA-N 1 2 344.440 2.221 20 30 EEEDLO N#Cc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)cc1Cl ZINC000619780808 469681318 /nfs/dbraw/zinc/68/13/18/469681318.db2.gz DISUTERTXJMUEP-UHFFFAOYSA-N 1 2 338.758 2.117 20 30 EEEDLO C[C@H]([C@H](C)NC(=O)c1cc2ccccc2n1CC#N)[NH+]1CCOCC1 ZINC000609191904 469901554 /nfs/dbraw/zinc/90/15/54/469901554.db2.gz MKXPPLJFKRNTJK-LSDHHAIUSA-N 1 2 340.427 2.004 20 30 EEEDLO CCOC(=O)c1c[nH+]c2ccccc2c1NC1CCN(CC#N)CC1 ZINC000609333860 469917959 /nfs/dbraw/zinc/91/79/59/469917959.db2.gz YCUOKIJOLDYLDI-UHFFFAOYSA-N 1 2 338.411 2.233 20 30 EEEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2cccc(O)c2)C1=O ZINC000609432381 469927536 /nfs/dbraw/zinc/92/75/36/469927536.db2.gz HKWZEVZBFLSCQM-KRWDZBQOSA-N 1 2 335.363 2.028 20 30 EEEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2cccc(O)c2)C1=O ZINC000609432381 469927538 /nfs/dbraw/zinc/92/75/38/469927538.db2.gz HKWZEVZBFLSCQM-KRWDZBQOSA-N 1 2 335.363 2.028 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000609484657 469931537 /nfs/dbraw/zinc/93/15/37/469931537.db2.gz FDEYPDWNTYWLDW-MHORFTMASA-N 1 2 334.508 2.236 20 30 EEEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCOC[C@H]2c2ccco2)cc1 ZINC000609744604 469958469 /nfs/dbraw/zinc/95/84/69/469958469.db2.gz LZZZBXLLNLMJQX-WMZOPIPTSA-N 1 2 342.395 2.159 20 30 EEEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@H]2c2ccco2)cc1 ZINC000609744604 469958472 /nfs/dbraw/zinc/95/84/72/469958472.db2.gz LZZZBXLLNLMJQX-WMZOPIPTSA-N 1 2 342.395 2.159 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635890485 470799281 /nfs/dbraw/zinc/79/92/81/470799281.db2.gz VNMFPXJBXOWDEF-UHOSZYNNSA-N 1 2 344.455 2.367 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635890485 470799286 /nfs/dbraw/zinc/79/92/86/470799286.db2.gz VNMFPXJBXOWDEF-UHOSZYNNSA-N 1 2 344.455 2.367 20 30 EEEDLO C=CCCn1cc(C[NH2+]Cc2nc3cc(OC)ccc3n2C)nn1 ZINC000657439163 471137066 /nfs/dbraw/zinc/13/70/66/471137066.db2.gz VUTLKBCKUDLHAQ-UHFFFAOYSA-N 1 2 326.404 2.039 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(OCc3ccccc3)nc2)nn1 ZINC000641130448 471217095 /nfs/dbraw/zinc/21/70/95/471217095.db2.gz MGGAEFSQQJDBBG-UHFFFAOYSA-N 1 2 347.422 2.413 20 30 EEEDLO C=CCc1cc(CNC(=O)N(C)Cc2c[nH+]c[nH]2)cc(OC)c1OC ZINC000663877559 471559434 /nfs/dbraw/zinc/55/94/34/471559434.db2.gz ZTXGISPTTJHLQJ-UHFFFAOYSA-N 1 2 344.415 2.497 20 30 EEEDLO C=CCc1cc(CNC(=O)N(C)Cc2c[nH]c[nH+]2)cc(OC)c1OC ZINC000663877559 471559437 /nfs/dbraw/zinc/55/94/37/471559437.db2.gz ZTXGISPTTJHLQJ-UHFFFAOYSA-N 1 2 344.415 2.497 20 30 EEEDLO O=C(NCC#Cc1cccc(F)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000669891402 471630634 /nfs/dbraw/zinc/63/06/34/471630634.db2.gz CANDBWQXPLNHHT-GOSISDBHSA-N 1 2 339.370 2.435 20 30 EEEDLO CCC#C[C@H](C)n1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000665686614 472137658 /nfs/dbraw/zinc/13/76/58/472137658.db2.gz ZRJLLHORYRPGOW-DOTOQJQBSA-N 1 2 325.416 2.221 20 30 EEEDLO CCC#C[C@H](C)n1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000665686614 472137660 /nfs/dbraw/zinc/13/76/60/472137660.db2.gz ZRJLLHORYRPGOW-DOTOQJQBSA-N 1 2 325.416 2.221 20 30 EEEDLO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000680106483 485890994 /nfs/dbraw/zinc/89/09/94/485890994.db2.gz ZFXIRVCPVWJYPL-QFBILLFUSA-N 1 2 346.427 2.263 20 30 EEEDLO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000680106483 485890999 /nfs/dbraw/zinc/89/09/99/485890999.db2.gz ZFXIRVCPVWJYPL-QFBILLFUSA-N 1 2 346.427 2.263 20 30 EEEDLO NC(=O)[C@H]1CCCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000131886760 534444121 /nfs/dbraw/zinc/44/41/21/534444121.db2.gz AMYGIZUUOCIDFB-CQSZACIVSA-N 1 2 326.318 2.277 20 30 EEEDLO NC(=O)[C@H]1CCCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000131886760 534444128 /nfs/dbraw/zinc/44/41/28/534444128.db2.gz AMYGIZUUOCIDFB-CQSZACIVSA-N 1 2 326.318 2.277 20 30 EEEDLO C=C(Cl)CNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000265520661 534445790 /nfs/dbraw/zinc/44/57/90/534445790.db2.gz LWWXOSRRPAJVGK-CYBMUJFWSA-N 1 2 325.815 2.205 20 30 EEEDLO N#CC(CC[N@@H+]1CCO[C@@H](C(N)=O)C1)(c1ccccc1)c1ccccc1 ZINC000191466819 534542814 /nfs/dbraw/zinc/54/28/14/534542814.db2.gz UHKARCUKYGODAL-LJQANCHMSA-N 1 2 349.434 2.072 20 30 EEEDLO N#CC(CC[N@H+]1CCO[C@@H](C(N)=O)C1)(c1ccccc1)c1ccccc1 ZINC000191466819 534542821 /nfs/dbraw/zinc/54/28/21/534542821.db2.gz UHKARCUKYGODAL-LJQANCHMSA-N 1 2 349.434 2.072 20 30 EEEDLO C#CCCCCNC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000160220418 526700587 /nfs/dbraw/zinc/70/05/87/526700587.db2.gz MYSBLZBVVKHVGC-LJQANCHMSA-N 1 2 343.471 2.471 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000111858403 526944857 /nfs/dbraw/zinc/94/48/57/526944857.db2.gz GUKVYVMDHGOMEF-CVEARBPZSA-N 1 2 347.459 2.160 20 30 EEEDLO CC(C)C[C@H]([NH2+]Cc1ccc(C#N)o1)c1nc(-c2nc[nH]n2)no1 ZINC000181942869 528573269 /nfs/dbraw/zinc/57/32/69/528573269.db2.gz WJTDMHCJQVBRGO-LBPRGKRZSA-N 1 2 327.348 2.196 20 30 EEEDLO CC(C)OC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000451601156 535309989 /nfs/dbraw/zinc/30/99/89/535309989.db2.gz ZPKRGRFHNUVCQJ-KRWDZBQOSA-N 1 2 331.416 2.453 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000426202071 536883570 /nfs/dbraw/zinc/88/35/70/536883570.db2.gz RPBRESCSMUYLLU-HNNXBMFYSA-N 1 2 345.443 2.134 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000426202071 536883574 /nfs/dbraw/zinc/88/35/74/536883574.db2.gz RPBRESCSMUYLLU-HNNXBMFYSA-N 1 2 345.443 2.134 20 30 EEEDLO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2nnnn2-c2ccccc2)cc1 ZINC000728712231 576520573 /nfs/dbraw/zinc/52/05/73/576520573.db2.gz ZJSFHIYBYSMPGD-CQSZACIVSA-N 1 2 334.383 2.243 20 30 EEEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@H](C(C)C)CC1=O ZINC000733294952 577220294 /nfs/dbraw/zinc/22/02/94/577220294.db2.gz RUXCNXHAQHANAH-GOSISDBHSA-N 1 2 329.444 2.469 20 30 EEEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C[C@H](C(C)C)CC1=O ZINC000733294952 577220295 /nfs/dbraw/zinc/22/02/95/577220295.db2.gz RUXCNXHAQHANAH-GOSISDBHSA-N 1 2 329.444 2.469 20 30 EEEDLO C#C[C@@H](NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)[C@@H]1CCCO1 ZINC000772879210 577303097 /nfs/dbraw/zinc/30/30/97/577303097.db2.gz FYHTTWGJYDGVAX-CVEARBPZSA-N 1 2 343.452 2.173 20 30 EEEDLO C#C[C@H]([NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1)[C@H]1CCCO1 ZINC000775342943 577435526 /nfs/dbraw/zinc/43/55/26/577435526.db2.gz UELCIDVHMLQTKA-JKSUJKDBSA-N 1 2 334.782 2.330 20 30 EEEDLO COCC[N@H+](CCC#N)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000775609839 577440754 /nfs/dbraw/zinc/44/07/54/577440754.db2.gz YMDFAAAEYOFUER-CQSZACIVSA-N 1 2 345.212 2.484 20 30 EEEDLO COCC[N@@H+](CCC#N)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000775609839 577440755 /nfs/dbraw/zinc/44/07/55/577440755.db2.gz YMDFAAAEYOFUER-CQSZACIVSA-N 1 2 345.212 2.484 20 30 EEEDLO N#Cc1c2c(cn(C[NH+]3CCC(C(F)(F)F)CC3)c1=O)CCC2 ZINC000766635760 577522576 /nfs/dbraw/zinc/52/25/76/577522576.db2.gz BRMLJHSRGRLKDD-UHFFFAOYSA-N 1 2 325.334 2.440 20 30 EEEDLO Cc1ccc(C)c(S(=O)(=O)NN=Cc2cccc3[nH+]ccn32)c1 ZINC000771090806 577609693 /nfs/dbraw/zinc/60/96/93/577609693.db2.gz YYMNOWITVXTLBP-UHFFFAOYSA-N 1 2 328.397 2.264 20 30 EEEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cn1ccc(C)c(C#N)c1=O ZINC000758207573 577618557 /nfs/dbraw/zinc/61/85/57/577618557.db2.gz APKRNRWMLYEDNE-UHFFFAOYSA-N 1 2 336.395 2.006 20 30 EEEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cn1ccc(C)c(C#N)c1=O ZINC000758207573 577618558 /nfs/dbraw/zinc/61/85/58/577618558.db2.gz APKRNRWMLYEDNE-UHFFFAOYSA-N 1 2 336.395 2.006 20 30 EEEDLO N#CCOc1cccc(CC(=O)OCc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000760638281 577667311 /nfs/dbraw/zinc/66/73/11/577667311.db2.gz NUUMMYFRIHUMEG-UHFFFAOYSA-N 1 2 348.362 2.456 20 30 EEEDLO CCOC(=O)[C@@H]1CCC(N=Nc2ccc(-n3cc[nH+]c3)nn2)[C@H](C)C1 ZINC000761858278 577690279 /nfs/dbraw/zinc/69/02/79/577690279.db2.gz RUAWXCVWDZWCNC-CHWSQXEVSA-N 1 2 342.403 2.430 20 30 EEEDLO CN1CCc2cc(C=[NH+]NC(=S)NCCc3ccccn3)ccc21 ZINC000752728536 577775192 /nfs/dbraw/zinc/77/51/92/577775192.db2.gz VMZMMRCAKPWYBP-UHFFFAOYSA-N 1 2 339.468 2.115 20 30 EEEDLO CN(C)c1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)ccn1 ZINC000754025854 577798774 /nfs/dbraw/zinc/79/87/74/577798774.db2.gz PMEAFNABKQSYJD-UHFFFAOYSA-N 1 2 339.418 2.481 20 30 EEEDLO Cc1ccc2[nH+]cc(C=NN3C(=O)N[C@](C)(c4ccccc4)C3=O)n2c1 ZINC000755544701 577826614 /nfs/dbraw/zinc/82/66/14/577826614.db2.gz YOFIDRVHTIVMGY-LJQANCHMSA-N 1 2 347.378 2.444 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)NCCNc1cccc[nH+]1 ZINC000743203321 577881683 /nfs/dbraw/zinc/88/16/83/577881683.db2.gz FUFVDILBIHTFGY-UHFFFAOYSA-N 1 2 328.347 2.466 20 30 EEEDLO Cc1ccccc1C1CC(=NNC(=S)NCC[NH+]2CCOCC2)C1 ZINC000743425682 577885202 /nfs/dbraw/zinc/88/52/02/577885202.db2.gz QCXITAIOYDIWGA-UHFFFAOYSA-N 1 2 346.500 2.025 20 30 EEEDLO C[C@H]1C[N@H+](CCNC(=O)N[C@@H](CCC#N)c2ccccc2)CCO1 ZINC000749186030 577972311 /nfs/dbraw/zinc/97/23/11/577972311.db2.gz KCKCUBRFZYXBKP-RDJZCZTQSA-N 1 2 330.432 2.051 20 30 EEEDLO C[C@H]1C[N@@H+](CCNC(=O)N[C@@H](CCC#N)c2ccccc2)CCO1 ZINC000749186030 577972312 /nfs/dbraw/zinc/97/23/12/577972312.db2.gz KCKCUBRFZYXBKP-RDJZCZTQSA-N 1 2 330.432 2.051 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1 ZINC000735062559 578131529 /nfs/dbraw/zinc/13/15/29/578131529.db2.gz LNHSAVKBENJXII-IBGZPJMESA-N 1 2 341.455 2.480 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1 ZINC000735062559 578131530 /nfs/dbraw/zinc/13/15/30/578131530.db2.gz LNHSAVKBENJXII-IBGZPJMESA-N 1 2 341.455 2.480 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1 ZINC000736228292 578189169 /nfs/dbraw/zinc/18/91/69/578189169.db2.gz BLBMVKAXMWLJGA-IBGZPJMESA-N 1 2 339.439 2.234 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1 ZINC000736228292 578189170 /nfs/dbraw/zinc/18/91/70/578189170.db2.gz BLBMVKAXMWLJGA-IBGZPJMESA-N 1 2 339.439 2.234 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC000969516103 675081919 /nfs/dbraw/zinc/08/19/19/675081919.db2.gz QFQQWZPRWDWCIV-KHYOSLBOSA-N 1 2 344.459 2.065 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c(C3CCC3)cnn2C)C1 ZINC000969707772 675170901 /nfs/dbraw/zinc/17/09/01/675170901.db2.gz XJQCWNNAKOCGSD-GFCCVEGCSA-N 1 2 336.867 2.490 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc3c(cn2)OCCC3)C1 ZINC000970811694 676166993 /nfs/dbraw/zinc/16/69/93/676166993.db2.gz WMQIGALBZQISTE-GFCCVEGCSA-N 1 2 335.835 2.209 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC000970814464 676170284 /nfs/dbraw/zinc/17/02/84/676170284.db2.gz AQPVDUUQHDHSCC-WCQYABFASA-N 1 2 336.867 2.268 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnn(-c3ccccc3)n2)C1 ZINC000970853628 676199099 /nfs/dbraw/zinc/19/90/99/676199099.db2.gz GEMLRPBGYIWUQZ-CYBMUJFWSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH2+]Cc3nc(CC4CC4)no3)C2)C1 ZINC000969883395 675279959 /nfs/dbraw/zinc/27/99/59/675279959.db2.gz QQBVIFNDMNHVSE-CQSZACIVSA-N 1 2 330.432 2.069 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cccc(C(C)C)n3)CC2)C1 ZINC000949408565 676224150 /nfs/dbraw/zinc/22/41/50/676224150.db2.gz AGNAYXQEGABYLU-UHFFFAOYSA-N 1 2 341.455 2.145 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cccc(C(C)C)n3)CC2)C1 ZINC000949408565 676224152 /nfs/dbraw/zinc/22/41/52/676224152.db2.gz AGNAYXQEGABYLU-UHFFFAOYSA-N 1 2 341.455 2.145 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cn(-c3ccccc3)nn2)C1 ZINC000970025166 675393247 /nfs/dbraw/zinc/39/32/47/675393247.db2.gz UCUYOEFWGLUVDC-CYBMUJFWSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2noc(C)n2)C1 ZINC001020714151 675437614 /nfs/dbraw/zinc/43/76/14/675437614.db2.gz NCKOTWVHYRRAHN-XJBGLIRHSA-N 1 2 348.447 2.047 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c(C)nn(C)c2Cl)C1 ZINC000970240508 675737252 /nfs/dbraw/zinc/73/72/52/675737252.db2.gz SDSMYNCOTCLBJJ-VIFPVBQESA-N 1 2 331.247 2.185 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn(C)ccc2=O)C1 ZINC001021631500 676285820 /nfs/dbraw/zinc/28/58/20/676285820.db2.gz XKWYCLHDPBFRAC-ZBFHGGJFSA-N 1 2 349.862 2.064 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cn(C)ccc2=O)C1 ZINC001021631500 676285821 /nfs/dbraw/zinc/28/58/21/676285821.db2.gz XKWYCLHDPBFRAC-ZBFHGGJFSA-N 1 2 349.862 2.064 20 30 EEEDLO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001067568806 676318978 /nfs/dbraw/zinc/31/89/78/676318978.db2.gz UDZFCEOUMDJXRR-OAHLLOKOSA-N 1 2 346.475 2.493 20 30 EEEDLO C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC000971225552 676448532 /nfs/dbraw/zinc/44/85/32/676448532.db2.gz LEHHSCMJPOWLRD-INIZCTEOSA-N 1 2 327.428 2.206 20 30 EEEDLO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC000971225552 676448533 /nfs/dbraw/zinc/44/85/33/676448533.db2.gz LEHHSCMJPOWLRD-INIZCTEOSA-N 1 2 327.428 2.206 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+](C)[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC000971364508 676503829 /nfs/dbraw/zinc/50/38/29/676503829.db2.gz ZSEJBHKULSZYHK-JSGCOSHPSA-N 1 2 327.388 2.090 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+](C)[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC000971364508 676503831 /nfs/dbraw/zinc/50/38/31/676503831.db2.gz ZSEJBHKULSZYHK-JSGCOSHPSA-N 1 2 327.388 2.090 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(F)cc3C)CC2)C1 ZINC000949515337 676534852 /nfs/dbraw/zinc/53/48/52/676534852.db2.gz MTGYBLISYABCFN-UHFFFAOYSA-N 1 2 330.403 2.074 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(F)cc3C)CC2)C1 ZINC000949515337 676534854 /nfs/dbraw/zinc/53/48/54/676534854.db2.gz MTGYBLISYABCFN-UHFFFAOYSA-N 1 2 330.403 2.074 20 30 EEEDLO C[N@H+](Cc1ccn(C2CCCC2)n1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971513563 676606936 /nfs/dbraw/zinc/60/69/36/676606936.db2.gz OBRZBYUQHSZDPT-IBGZPJMESA-N 1 2 340.471 2.444 20 30 EEEDLO C[N@@H+](Cc1ccn(C2CCCC2)n1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971513563 676606938 /nfs/dbraw/zinc/60/69/38/676606938.db2.gz OBRZBYUQHSZDPT-IBGZPJMESA-N 1 2 340.471 2.444 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2nnc(C)o2)C1 ZINC000971686836 676740435 /nfs/dbraw/zinc/74/04/35/676740435.db2.gz GFQUOPGIPKKJMU-DZGCQCFKSA-N 1 2 343.431 2.273 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2nnc(C)o2)C1 ZINC000971686836 676740437 /nfs/dbraw/zinc/74/04/37/676740437.db2.gz GFQUOPGIPKKJMU-DZGCQCFKSA-N 1 2 343.431 2.273 20 30 EEEDLO CCOc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)o1 ZINC000892223038 678274859 /nfs/dbraw/zinc/27/48/59/678274859.db2.gz DBRUPDOIIDBOBB-ZDUSSCGKSA-N 1 2 327.388 2.051 20 30 EEEDLO CCOc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)o1 ZINC000892223038 678274862 /nfs/dbraw/zinc/27/48/62/678274862.db2.gz DBRUPDOIIDBOBB-ZDUSSCGKSA-N 1 2 327.388 2.051 20 30 EEEDLO CCOc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)o1 ZINC000892223037 678275007 /nfs/dbraw/zinc/27/50/07/678275007.db2.gz DBRUPDOIIDBOBB-CYBMUJFWSA-N 1 2 327.388 2.051 20 30 EEEDLO CCOc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)o1 ZINC000892223037 678275008 /nfs/dbraw/zinc/27/50/08/678275008.db2.gz DBRUPDOIIDBOBB-CYBMUJFWSA-N 1 2 327.388 2.051 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](OC)C(C)C)C1 ZINC000972243774 678447330 /nfs/dbraw/zinc/44/73/30/678447330.db2.gz YCXKFYFAQSMNKX-QWHCGFSZSA-N 1 2 333.270 2.099 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](OC)C(C)C)C1 ZINC000972243774 678447332 /nfs/dbraw/zinc/44/73/32/678447332.db2.gz YCXKFYFAQSMNKX-QWHCGFSZSA-N 1 2 333.270 2.099 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC(F)(F)C3)C2)C1 ZINC000972405030 678689779 /nfs/dbraw/zinc/68/97/79/678689779.db2.gz KYYNSGQJEBYXHQ-WBVHZDCISA-N 1 2 340.414 2.139 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC(F)(F)C3)C2)C1 ZINC000972405030 678689780 /nfs/dbraw/zinc/68/97/80/678689780.db2.gz KYYNSGQJEBYXHQ-WBVHZDCISA-N 1 2 340.414 2.139 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccccc3C(C)C)C2)C1 ZINC000972410931 678701736 /nfs/dbraw/zinc/70/17/36/678701736.db2.gz XQJLEGFJJPJMGZ-HXUWFJFHSA-N 1 2 326.440 2.360 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccccc3C(C)C)C2)C1 ZINC000972410931 678701739 /nfs/dbraw/zinc/70/17/39/678701739.db2.gz XQJLEGFJJPJMGZ-HXUWFJFHSA-N 1 2 326.440 2.360 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)cc(C)nc3C)C2)C1 ZINC000972479901 678848087 /nfs/dbraw/zinc/84/80/87/678848087.db2.gz DRMCLAADMWDIMD-IBGZPJMESA-N 1 2 329.444 2.110 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)cc(C)nc3C)C2)C1 ZINC000972479901 678848091 /nfs/dbraw/zinc/84/80/91/678848091.db2.gz DRMCLAADMWDIMD-IBGZPJMESA-N 1 2 329.444 2.110 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001067440068 678875629 /nfs/dbraw/zinc/87/56/29/678875629.db2.gz DLNATLSEVDDZTN-UHFFFAOYSA-N 1 2 348.491 2.262 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001067440359 678896245 /nfs/dbraw/zinc/89/62/45/678896245.db2.gz SRGTUANFYLQABC-UHFFFAOYSA-N 1 2 348.491 2.262 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CCn2cccc2)C1 ZINC000972616270 679427312 /nfs/dbraw/zinc/42/73/12/679427312.db2.gz WQKCXHCOWVIMRC-AWEZNQCLSA-N 1 2 340.265 2.320 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)CCn2cccc2)C1 ZINC000972616270 679427313 /nfs/dbraw/zinc/42/73/13/679427313.db2.gz WQKCXHCOWVIMRC-AWEZNQCLSA-N 1 2 340.265 2.320 20 30 EEEDLO Cc1conc1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000972684970 679599616 /nfs/dbraw/zinc/59/96/16/679599616.db2.gz SJSSMHBPBBDKFJ-MRXNPFEDSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1conc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000972684970 679599619 /nfs/dbraw/zinc/59/96/19/679599619.db2.gz SJSSMHBPBBDKFJ-MRXNPFEDSA-N 1 2 342.374 2.340 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cncc4ccccc43)C2)C1 ZINC000972686687 679601504 /nfs/dbraw/zinc/60/15/04/679601504.db2.gz BOHUVIKJGAZIAH-HXUWFJFHSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cncc4ccccc43)C2)C1 ZINC000972686687 679601506 /nfs/dbraw/zinc/60/15/06/679601506.db2.gz BOHUVIKJGAZIAH-HXUWFJFHSA-N 1 2 337.423 2.338 20 30 EEEDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cscn1 ZINC000947205935 679877197 /nfs/dbraw/zinc/87/71/97/679877197.db2.gz YVTDQFVSYZSWQQ-YPMHNXCESA-N 1 2 329.429 2.126 20 30 EEEDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1cscn1 ZINC000947205935 679877198 /nfs/dbraw/zinc/87/71/98/679877198.db2.gz YVTDQFVSYZSWQQ-YPMHNXCESA-N 1 2 329.429 2.126 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2cnns2)c1 ZINC001024347981 679877729 /nfs/dbraw/zinc/87/77/29/679877729.db2.gz CNHJJPBBBCDBRM-HNNXBMFYSA-N 1 2 341.440 2.194 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2cnns2)c1 ZINC001024347981 679877730 /nfs/dbraw/zinc/87/77/30/679877730.db2.gz CNHJJPBBBCDBRM-HNNXBMFYSA-N 1 2 341.440 2.194 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC000974711835 685292957 /nfs/dbraw/zinc/29/29/57/685292957.db2.gz KYNLEWIBIDHMGD-HUUCEWRRSA-N 1 2 344.459 2.004 20 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ZINC000974753150 685402638 /nfs/dbraw/zinc/40/26/38/685402638.db2.gz PPAKZCNVRXLMJT-HNNXBMFYSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cnnn2C)CC1 ZINC001024633830 681298584 /nfs/dbraw/zinc/29/85/84/681298584.db2.gz NRVWCGBIHJJCAY-MRXNPFEDSA-N 1 2 331.464 2.032 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cnnn2C)CC1 ZINC001024633830 681298587 /nfs/dbraw/zinc/29/85/87/681298587.db2.gz NRVWCGBIHJJCAY-MRXNPFEDSA-N 1 2 331.464 2.032 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1nnn(CC)c1CC ZINC001024649215 681319472 /nfs/dbraw/zinc/31/94/72/681319472.db2.gz RIECFJWCIWNOBE-ZDUSSCGKSA-N 1 2 339.871 2.197 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1nnn(CC)c1CC ZINC001024649215 681319475 /nfs/dbraw/zinc/31/94/75/681319475.db2.gz RIECFJWCIWNOBE-ZDUSSCGKSA-N 1 2 339.871 2.197 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ncc(C)o1 ZINC001024706580 681365165 /nfs/dbraw/zinc/36/51/65/681365165.db2.gz CTMQJOIJHLAJER-RYRKJORJSA-N 1 2 347.459 2.435 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/nfs/dbraw/zinc/04/48/36/1184044836.db2.gz WAXTZTOAJDTWHM-OAHLLOKOSA-N 1 2 332.469 2.081 20 30 EEEDLO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2cc3c(s2)CCCC3)C1 ZINC001269193905 1184044842 /nfs/dbraw/zinc/04/48/42/1184044842.db2.gz WAXTZTOAJDTWHM-OAHLLOKOSA-N 1 2 332.469 2.081 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccsc2)cc1C#N ZINC001270247996 1184956349 /nfs/dbraw/zinc/95/63/49/1184956349.db2.gz LXTGRNQIUHTYJF-IYBDPMFKSA-N 1 2 340.452 2.447 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccsc2)cc1C#N ZINC001270247996 1184956354 /nfs/dbraw/zinc/95/63/54/1184956354.db2.gz LXTGRNQIUHTYJF-IYBDPMFKSA-N 1 2 340.452 2.447 20 30 EEEDLO C[C@@H]1CCCC[C@H]1C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001270565352 1185175554 /nfs/dbraw/zinc/17/55/54/1185175554.db2.gz QIYTYTMUKCTORV-CRAIPNDOSA-N 1 2 340.471 2.367 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCO2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088457714 1186940702 /nfs/dbraw/zinc/94/07/02/1186940702.db2.gz TZYDQBRINIELGD-JLSDUUJJSA-N 1 2 346.858 2.450 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCO2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088457714 1186940705 /nfs/dbraw/zinc/94/07/05/1186940705.db2.gz TZYDQBRINIELGD-JLSDUUJJSA-N 1 2 346.858 2.450 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCOCC2)[C@H]1C ZINC001088546864 1187215979 /nfs/dbraw/zinc/21/59/79/1187215979.db2.gz TWNSAWLCKVMXDK-MCIONIFRSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCOCC2)[C@H]1C ZINC001088546864 1187215984 /nfs/dbraw/zinc/21/59/84/1187215984.db2.gz TWNSAWLCKVMXDK-MCIONIFRSA-N 1 2 345.281 2.291 20 30 EEEDLO C=CCCC(=O)NCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001075886827 1187239461 /nfs/dbraw/zinc/23/94/61/1187239461.db2.gz LSHWJYVEVSJUKE-HNNXBMFYSA-N 1 2 340.427 2.463 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cncn3)cc2)[C@H]1C ZINC001088637736 1188025516 /nfs/dbraw/zinc/02/55/16/1188025516.db2.gz YELUJEVTYYOELW-CJNGLKHVSA-N 1 2 345.834 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cncn3)cc2)[C@H]1C ZINC001088637736 1188025518 /nfs/dbraw/zinc/02/55/18/1188025518.db2.gz YELUJEVTYYOELW-CJNGLKHVSA-N 1 2 345.834 2.212 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cn3ccccc3n2)[C@H]1C ZINC001088664359 1188071562 /nfs/dbraw/zinc/07/15/62/1188071562.db2.gz UVIDYUWUMMBWBI-HIFRSBDPSA-N 1 2 332.835 2.208 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cn3ccccc3n2)[C@H]1C ZINC001088664359 1188071568 /nfs/dbraw/zinc/07/15/68/1188071568.db2.gz UVIDYUWUMMBWBI-HIFRSBDPSA-N 1 2 332.835 2.208 20 30 EEEDLO C=CCC1(C(=O)N(C)CCN(C)c2[nH+]cnc3c2cnn3C)CCC1 ZINC001105547557 1188163793 /nfs/dbraw/zinc/16/37/93/1188163793.db2.gz XGDXFSLGPOBPGW-UHFFFAOYSA-N 1 2 342.447 2.004 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCC[C@@H]1CNc1ncnc2c1C[N@H+](C)CC2 ZINC001105646276 1188359833 /nfs/dbraw/zinc/35/98/33/1188359833.db2.gz HEAXNDQNKBEIJD-ZBFHGGJFSA-N 1 2 343.475 2.128 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCC[C@@H]1CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001105646276 1188359838 /nfs/dbraw/zinc/35/98/38/1188359838.db2.gz HEAXNDQNKBEIJD-ZBFHGGJFSA-N 1 2 343.475 2.128 20 30 EEEDLO Cc1cc(NC2CC(N(C)C(=O)CSCC#N)C2)nc(C2CC2)[nH+]1 ZINC001126887943 1188562569 /nfs/dbraw/zinc/56/25/69/1188562569.db2.gz XZKNLXWRXWPLRZ-UHFFFAOYSA-N 1 2 345.472 2.321 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4nocc4C)C[C@H]32)cc1 ZINC001076119425 1188722469 /nfs/dbraw/zinc/72/24/69/1188722469.db2.gz KKADPVZUJBDORI-PKOBYXMFSA-N 1 2 335.407 2.311 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4nocc4C)C[C@H]32)cc1 ZINC001076119425 1188722472 /nfs/dbraw/zinc/72/24/72/1188722472.db2.gz KKADPVZUJBDORI-PKOBYXMFSA-N 1 2 335.407 2.311 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001076532809 1188973215 /nfs/dbraw/zinc/97/32/15/1188973215.db2.gz RYAIWPHSNCBMEM-GJZGRUSLSA-N 1 2 346.475 2.059 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C)cc3)[C@@H]2C1 ZINC001076560454 1188997265 /nfs/dbraw/zinc/99/72/65/1188997265.db2.gz NREACNYTTLWBNA-GOEBONIOSA-N 1 2 347.846 2.219 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C)cc3)[C@@H]2C1 ZINC001076560454 1188997266 /nfs/dbraw/zinc/99/72/66/1188997266.db2.gz NREACNYTTLWBNA-GOEBONIOSA-N 1 2 347.846 2.219 20 30 EEEDLO Cc1nc(NC2CC(N(C)C(=O)C#CC3CC3)C2)c2c([nH+]1)CCCC2 ZINC001126935186 1189027578 /nfs/dbraw/zinc/02/75/78/1189027578.db2.gz CMFYUXXCKYGIOW-UHFFFAOYSA-N 1 2 338.455 2.479 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001076711971 1189122118 /nfs/dbraw/zinc/12/21/18/1189122118.db2.gz PXGDQGRBKWPFDL-KGLIPLIRSA-N 1 2 334.464 2.202 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001076711971 1189122121 /nfs/dbraw/zinc/12/21/21/1189122121.db2.gz PXGDQGRBKWPFDL-KGLIPLIRSA-N 1 2 334.464 2.202 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)[C@H]3CC=CCC3)CC2)C1 ZINC001105684596 1189243662 /nfs/dbraw/zinc/24/36/62/1189243662.db2.gz BMPXDZLCZLUDME-KRWDZBQOSA-N 1 2 348.487 2.237 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001077117697 1189341932 /nfs/dbraw/zinc/34/19/32/1189341932.db2.gz MIQNQEYKNPEGEU-LSDHHAIUSA-N 1 2 346.475 2.059 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](C)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001077148150 1189358946 /nfs/dbraw/zinc/35/89/46/1189358946.db2.gz ZBFRSEXYLGVSDC-GJZGRUSLSA-N 1 2 347.459 2.246 20 30 EEEDLO C=CCC1(C(=O)N[C@@H](C)CCNC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001077171074 1189374190 /nfs/dbraw/zinc/37/41/90/1189374190.db2.gz LFDOFESAKOZUDY-INIZCTEOSA-N 1 2 346.475 2.421 20 30 EEEDLO C[C@@H](NC(=O)Cc1ccoc1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001409908176 1191007321 /nfs/dbraw/zinc/00/73/21/1191007321.db2.gz HYIHJARGDBTKAD-CYBMUJFWSA-N 1 2 341.386 2.470 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cc2cn3ccccc3n2)C1 ZINC001484048811 1191179534 /nfs/dbraw/zinc/17/95/34/1191179534.db2.gz GXVIRLWUBSADPZ-QGZVFWFLSA-N 1 2 332.835 2.210 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2cn3ccccc3n2)C1 ZINC001484048811 1191179536 /nfs/dbraw/zinc/17/95/36/1191179536.db2.gz GXVIRLWUBSADPZ-QGZVFWFLSA-N 1 2 332.835 2.210 20 30 EEEDLO C#CCC1(C(=O)NCc2cnn3c2C[N@H+](CC)CC3)CCCCC1 ZINC001128600339 1194451404 /nfs/dbraw/zinc/45/14/04/1194451404.db2.gz ZVSBMQTVHULKRS-UHFFFAOYSA-N 1 2 328.460 2.309 20 30 EEEDLO C#CCC1(C(=O)NCc2cnn3c2C[N@@H+](CC)CC3)CCCCC1 ZINC001128600339 1194451409 /nfs/dbraw/zinc/45/14/09/1194451409.db2.gz ZVSBMQTVHULKRS-UHFFFAOYSA-N 1 2 328.460 2.309 20 30 EEEDLO Cc1cnoc1C(=O)N(C)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033551786 1194704253 /nfs/dbraw/zinc/70/42/53/1194704253.db2.gz SZYYQZIIQKWALW-KRWDZBQOSA-N 1 2 341.386 2.320 20 30 EEEDLO Cc1cnoc1C(=O)N(C)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033551786 1194704255 /nfs/dbraw/zinc/70/42/55/1194704255.db2.gz SZYYQZIIQKWALW-KRWDZBQOSA-N 1 2 341.386 2.320 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)ccn2)C1 ZINC001014726892 1224245411 /nfs/dbraw/zinc/24/54/11/1224245411.db2.gz ZWJOXXWBDIJSCW-HNNXBMFYSA-N 1 2 340.427 2.082 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)ccn2)C1 ZINC001014726892 1224245419 /nfs/dbraw/zinc/24/54/19/1224245419.db2.gz ZWJOXXWBDIJSCW-HNNXBMFYSA-N 1 2 340.427 2.082 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3nc(C)oc3C)C2)nc1 ZINC001033595146 1194925863 /nfs/dbraw/zinc/92/58/63/1194925863.db2.gz AVVBZSVCNBIDFQ-INIZCTEOSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3nc(C)oc3C)C2)nc1 ZINC001033595146 1194925864 /nfs/dbraw/zinc/92/58/64/1194925864.db2.gz AVVBZSVCNBIDFQ-INIZCTEOSA-N 1 2 338.411 2.014 20 30 EEEDLO Cc1nc(C[NH+]2CCC(N(C)C(=O)c3cc(C#N)c[nH]3)CC2)oc1C ZINC001005228912 1194932696 /nfs/dbraw/zinc/93/26/96/1194932696.db2.gz XWBSHFWGELOOPO-UHFFFAOYSA-N 1 2 341.415 2.228 20 30 EEEDLO Cc1nc[nH]c1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033711405 1195118374 /nfs/dbraw/zinc/11/83/74/1195118374.db2.gz NATRVAHCGDRRPR-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1nc[nH]c1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033711405 1195118376 /nfs/dbraw/zinc/11/83/76/1195118376.db2.gz NATRVAHCGDRRPR-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001033717854 1195129712 /nfs/dbraw/zinc/12/97/12/1195129712.db2.gz GOGZEJDRNPJCSE-ZDUSSCGKSA-N 1 2 348.834 2.178 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001033717854 1195129715 /nfs/dbraw/zinc/12/97/15/1195129715.db2.gz GOGZEJDRNPJCSE-ZDUSSCGKSA-N 1 2 348.834 2.178 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H](C)[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001005301932 1195151703 /nfs/dbraw/zinc/15/17/03/1195151703.db2.gz GJHIVSMYVISWAL-YOEHRIQHSA-N 1 2 344.459 2.052 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001033786056 1195250949 /nfs/dbraw/zinc/25/09/49/1195250949.db2.gz QMBJFZHTRKENAH-HNNXBMFYSA-N 1 2 343.456 2.388 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001033786056 1195250952 /nfs/dbraw/zinc/25/09/52/1195250952.db2.gz 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ZINC001034180760 1195920735 /nfs/dbraw/zinc/92/07/35/1195920735.db2.gz GSNMTCWVPBSMJN-GOSISDBHSA-N 1 2 349.434 2.423 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnc3c(c2)ncn3C)C1 ZINC001034339111 1196111298 /nfs/dbraw/zinc/11/12/98/1196111298.db2.gz CQXPAOQTFKYVCL-AWEZNQCLSA-N 1 2 347.850 2.305 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnc3c(c2)ncn3C)C1 ZINC001034339111 1196111301 /nfs/dbraw/zinc/11/13/01/1196111301.db2.gz CQXPAOQTFKYVCL-AWEZNQCLSA-N 1 2 347.850 2.305 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(C(N)=O)cc2)C1 ZINC001034522053 1196350227 /nfs/dbraw/zinc/35/02/27/1196350227.db2.gz OSFQGJRRNZVAAM-HNNXBMFYSA-N 1 2 335.835 2.122 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C(N)=O)cc2)C1 ZINC001034522053 1196350231 /nfs/dbraw/zinc/35/02/31/1196350231.db2.gz OSFQGJRRNZVAAM-HNNXBMFYSA-N 1 2 335.835 2.122 20 30 EEEDLO C=C(C)CCC(=O)N(C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001078978645 1196596325 /nfs/dbraw/zinc/59/63/25/1196596325.db2.gz WPUQWASNMYBSJE-MRXNPFEDSA-N 1 2 332.448 2.148 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001108152165 1196681754 /nfs/dbraw/zinc/68/17/54/1196681754.db2.gz AWCXVAGQRASDKU-FOIQADDNSA-N 1 2 342.439 2.027 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001108152165 1196681756 /nfs/dbraw/zinc/68/17/56/1196681756.db2.gz AWCXVAGQRASDKU-FOIQADDNSA-N 1 2 342.439 2.027 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(CC)no2)cc1 ZINC001035006703 1196977512 /nfs/dbraw/zinc/97/75/12/1196977512.db2.gz GQIQGMYZCWMBGS-MRXNPFEDSA-N 1 2 338.411 2.008 20 30 EEEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)cc(F)c1F)CC2 ZINC001273274167 1197941988 /nfs/dbraw/zinc/94/19/88/1197941988.db2.gz HNBVLHYSOQLJOB-CQSZACIVSA-N 1 2 336.357 2.455 20 30 EEEDLO N#Cc1ccccc1OCC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874893810 1199062916 /nfs/dbraw/zinc/06/29/16/1199062916.db2.gz MJKKISGULZLNQH-QGZVFWFLSA-N 1 2 339.370 2.249 20 30 EEEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NCCC(C)(C)C)C1 ZINC001132020438 1199216514 /nfs/dbraw/zinc/21/65/14/1199216514.db2.gz FPXFHORCDJOING-IRXDYDNUSA-N 1 2 349.519 2.167 20 30 EEEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCCC(C)(C)C)C1 ZINC001132020438 1199216516 /nfs/dbraw/zinc/21/65/16/1199216516.db2.gz FPXFHORCDJOING-IRXDYDNUSA-N 1 2 349.519 2.167 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@@H+]1CC(=O)Nc1ccccc1 ZINC001132046240 1199252355 /nfs/dbraw/zinc/25/23/55/1199252355.db2.gz NJPQTVIJCHGYLW-MAUKXSAKSA-N 1 2 339.439 2.008 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@H+]1CC(=O)Nc1ccccc1 ZINC001132046240 1199252361 /nfs/dbraw/zinc/25/23/61/1199252361.db2.gz NJPQTVIJCHGYLW-MAUKXSAKSA-N 1 2 339.439 2.008 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2cnn(C)c2C)CC[C@H]1C ZINC001132069358 1199261505 /nfs/dbraw/zinc/26/15/05/1199261505.db2.gz SWNFBFCCDFGYCP-CZUORRHYSA-N 1 2 338.883 2.383 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2cnn(C)c2C)CC[C@H]1C ZINC001132069358 1199261509 /nfs/dbraw/zinc/26/15/09/1199261509.db2.gz SWNFBFCCDFGYCP-CZUORRHYSA-N 1 2 338.883 2.383 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCS(=O)(=O)CC)C1 ZINC001132073918 1199265142 /nfs/dbraw/zinc/26/51/42/1199265142.db2.gz YQAJCBHEHUNPJA-CVEARBPZSA-N 1 2 344.521 2.137 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCS(=O)(=O)CC)C1 ZINC001132073918 1199265148 /nfs/dbraw/zinc/26/51/48/1199265148.db2.gz YQAJCBHEHUNPJA-CVEARBPZSA-N 1 2 344.521 2.137 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3ccn(C)n3)C2)CCC1 ZINC001132102589 1199295640 /nfs/dbraw/zinc/29/56/40/1199295640.db2.gz XUWPNSLIEJVWNI-HOTGVXAUSA-N 1 2 328.460 2.083 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3ccn(C)n3)C2)CCC1 ZINC001132102589 1199295644 /nfs/dbraw/zinc/29/56/44/1199295644.db2.gz XUWPNSLIEJVWNI-HOTGVXAUSA-N 1 2 328.460 2.083 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)COc2cc(C)on2)CC[C@@H]1C ZINC001132113642 1199326100 /nfs/dbraw/zinc/32/61/00/1199326100.db2.gz 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C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cnnn2CC)C1 ZINC001132330324 1199576972 /nfs/dbraw/zinc/57/69/72/1199576972.db2.gz FTGCKNTXRFLHKJ-GJZGRUSLSA-N 1 2 333.480 2.369 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001014940505 1224560928 /nfs/dbraw/zinc/56/09/28/1224560928.db2.gz JTXYBMSOUQKYLN-KRWDZBQOSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001014940505 1224560933 /nfs/dbraw/zinc/56/09/33/1224560933.db2.gz JTXYBMSOUQKYLN-KRWDZBQOSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1ccccc1CN1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014940505 1224560938 /nfs/dbraw/zinc/56/09/38/1224560938.db2.gz JTXYBMSOUQKYLN-KRWDZBQOSA-N 1 2 345.406 2.439 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2c(C)cccc2F)CC[C@H]1C ZINC001132541621 1199837280 /nfs/dbraw/zinc/83/72/80/1199837280.db2.gz IGXDYOVVZNOUOW-CABCVRRESA-N 1 2 347.434 2.019 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2c(C)cccc2F)CC[C@H]1C ZINC001132541621 1199837285 /nfs/dbraw/zinc/83/72/85/1199837285.db2.gz IGXDYOVVZNOUOW-CABCVRRESA-N 1 2 347.434 2.019 20 30 EEEDLO FC(F)C(F)(F)CN1CC[NH+](CCCOC(F)(F)F)CC1 ZINC000878106735 1200263036 /nfs/dbraw/zinc/26/30/36/1200263036.db2.gz QFUJZXLIZZSCJO-UHFFFAOYSA-N 1 2 326.256 2.431 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)c1ccc(F)cc1 ZINC001018328162 1224612424 /nfs/dbraw/zinc/61/24/24/1224612424.db2.gz DDDSYGUZHJGUBG-FGTMMUONSA-N 1 2 330.403 2.212 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)c1ccc(F)cc1 ZINC001018328162 1224612429 /nfs/dbraw/zinc/61/24/29/1224612429.db2.gz DDDSYGUZHJGUBG-FGTMMUONSA-N 1 2 330.403 2.212 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC[C@](C#N)(C(C)=O)c2ccccc2)C1=O ZINC000878549940 1200536558 /nfs/dbraw/zinc/53/65/58/1200536558.db2.gz NCCOQYNJAVGRPS-QUCCMNQESA-N 1 2 339.439 2.146 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC[C@](C#N)(C(C)=O)c2ccccc2)C1=O ZINC000878549940 1200536565 /nfs/dbraw/zinc/53/65/65/1200536565.db2.gz NCCOQYNJAVGRPS-QUCCMNQESA-N 1 2 339.439 2.146 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CN(c3cc[nH+]c(C)n3)CC2(C)C)CCC1 ZINC001114467858 1200933931 /nfs/dbraw/zinc/93/39/31/1200933931.db2.gz JCWZVFSIFLKDGG-HNNXBMFYSA-N 1 2 326.444 2.310 20 30 EEEDLO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879584989 1201158523 /nfs/dbraw/zinc/15/85/23/1201158523.db2.gz OXYPGCOEKBYCGP-HZPDHXFCSA-N 1 2 328.460 2.374 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)N(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001018401159 1224678408 /nfs/dbraw/zinc/67/84/08/1224678408.db2.gz SSQKCRWZNYMPNU-HIFRSBDPSA-N 1 2 344.459 2.113 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCCN(c3ccc(C)cc3)C2=O)nn1 ZINC000881316650 1201676467 /nfs/dbraw/zinc/67/64/67/1201676467.db2.gz XPDPKKNGPSFVRX-SFHVURJKSA-N 1 2 337.427 2.068 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)c2ccc(Cl)cc2Cl)nn1 ZINC000881413260 1201695620 /nfs/dbraw/zinc/69/56/20/1201695620.db2.gz BXUCHFCCBBGUQN-OAHLLOKOSA-N 1 2 339.226 2.431 20 30 EEEDLO C=CCCC(=O)N1CC[C@]2(C1)CN(c1cc(C)[nH+]c(CC)n1)CCO2 ZINC001114416882 1201769395 /nfs/dbraw/zinc/76/93/95/1201769395.db2.gz HWVANSVTAJLJSY-LJQANCHMSA-N 1 2 344.459 2.121 20 30 EEEDLO CC(C)c1n[nH]cc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001015067842 1224707315 /nfs/dbraw/zinc/70/73/15/1224707315.db2.gz XINCKNLBDZUMMP-LBPRGKRZSA-N 1 2 343.456 2.471 20 30 EEEDLO CC(C)c1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001015067842 1224707319 /nfs/dbraw/zinc/70/73/19/1224707319.db2.gz XINCKNLBDZUMMP-LBPRGKRZSA-N 1 2 343.456 2.471 20 30 EEEDLO C=C(C)CCC(=O)NCC1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001095367040 1204205646 /nfs/dbraw/zinc/20/56/46/1204205646.db2.gz HVRAQOBXIPNJKI-UHFFFAOYSA-N 1 2 342.447 2.052 20 30 EEEDLO CCn1ccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095367578 1204207082 /nfs/dbraw/zinc/20/70/82/1204207082.db2.gz NMGAAAFCVUEQIC-SQNIBIBYSA-N 1 2 349.438 2.310 20 30 EEEDLO CCn1ccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095367578 1204207083 /nfs/dbraw/zinc/20/70/83/1204207083.db2.gz NMGAAAFCVUEQIC-SQNIBIBYSA-N 1 2 349.438 2.310 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)c4ccc(Cl)o4)C3)C2)cc1C#N ZINC001274167858 1204428248 /nfs/dbraw/zinc/42/82/48/1204428248.db2.gz YJCOIJJEWAKWEK-UHFFFAOYSA-N 1 2 344.802 2.101 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)nc1 ZINC001274192876 1204447494 /nfs/dbraw/zinc/44/74/94/1204447494.db2.gz NKRNURLSPBFXAF-UHFFFAOYSA-N 1 2 338.333 2.196 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)nc1 ZINC001274192876 1204447497 /nfs/dbraw/zinc/44/74/97/1204447497.db2.gz NKRNURLSPBFXAF-UHFFFAOYSA-N 1 2 338.333 2.196 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(OC)nc1Cl ZINC001274440784 1205039081 /nfs/dbraw/zinc/03/90/81/1205039081.db2.gz WVRVMJHWQADLJP-GOSISDBHSA-N 1 2 347.846 2.334 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(OC)nc1Cl ZINC001274440784 1205039084 /nfs/dbraw/zinc/03/90/84/1205039084.db2.gz WVRVMJHWQADLJP-GOSISDBHSA-N 1 2 347.846 2.334 20 30 EEEDLO 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PCOIQCONOKGEHO-MRXNPFEDSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001015938682 1225858058 /nfs/dbraw/zinc/85/80/58/1225858058.db2.gz PCOIQCONOKGEHO-MRXNPFEDSA-N 1 2 343.814 2.492 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2cncc(F)c2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000965851758 1219290332 /nfs/dbraw/zinc/29/03/32/1219290332.db2.gz NCYPRLOLNWDYDI-PXAZEXFGSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000965851758 1219290334 /nfs/dbraw/zinc/29/03/34/1219290334.db2.gz NCYPRLOLNWDYDI-PXAZEXFGSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000965917165 1219356508 /nfs/dbraw/zinc/35/65/08/1219356508.db2.gz QOIBBQKDOHGECW-PXAZEXFGSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000965917165 1219356511 /nfs/dbraw/zinc/35/65/11/1219356511.db2.gz QOIBBQKDOHGECW-PXAZEXFGSA-N 1 2 341.390 2.061 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2c(Cl)cnn2C)C1 ZINC000966163933 1219562124 /nfs/dbraw/zinc/56/21/24/1219562124.db2.gz BSCKRYGYVXNUKG-CABZTGNLSA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2c(Cl)cnn2C)C1 ZINC000966163933 1219562129 /nfs/dbraw/zinc/56/21/29/1219562129.db2.gz BSCKRYGYVXNUKG-CABZTGNLSA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc3n[nH]nc32)C1 ZINC000966321609 1219676786 /nfs/dbraw/zinc/67/67/86/1219676786.db2.gz DETSPLKAPOIMLX-IINYFYTJSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc3n[nH]nc32)C1 ZINC000966321609 1219676788 /nfs/dbraw/zinc/67/67/88/1219676788.db2.gz DETSPLKAPOIMLX-IINYFYTJSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)nnn3C)C1 ZINC000966911374 1220114712 /nfs/dbraw/zinc/11/47/12/1220114712.db2.gz AFWZEMZUCHMKKN-IAQYHMDHSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)nnn3C)C1 ZINC000966911374 1220114715 /nfs/dbraw/zinc/11/47/15/1220114715.db2.gz AFWZEMZUCHMKKN-IAQYHMDHSA-N 1 2 347.850 2.161 20 30 EEEDLO Cc1nnccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000967264465 1220362556 /nfs/dbraw/zinc/36/25/56/1220362556.db2.gz LMYQUZARIHYVDN-AUUYWEPGSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1nnccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000967264465 1220362560 /nfs/dbraw/zinc/36/25/60/1220362560.db2.gz LMYQUZARIHYVDN-AUUYWEPGSA-N 1 2 349.438 2.297 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C2)nc1 ZINC001016023749 1225968329 /nfs/dbraw/zinc/96/83/29/1225968329.db2.gz LSVFKYNPEQBAAD-QGZVFWFLSA-N 1 2 341.361 2.345 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C2)nc1 ZINC001016023749 1225968333 /nfs/dbraw/zinc/96/83/33/1225968333.db2.gz LSVFKYNPEQBAAD-QGZVFWFLSA-N 1 2 341.361 2.345 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000968092035 1221041087 /nfs/dbraw/zinc/04/10/87/1221041087.db2.gz XXEVZVGTDTXZSQ-HUUCEWRRSA-N 1 2 344.459 2.175 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000968092035 1221041089 /nfs/dbraw/zinc/04/10/89/1221041089.db2.gz XXEVZVGTDTXZSQ-HUUCEWRRSA-N 1 2 344.459 2.175 20 30 EEEDLO CC(C)(C)c1cnc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC000968410703 1221284341 /nfs/dbraw/zinc/28/43/41/1221284341.db2.gz NIVCSPABCZRVJM-CYBMUJFWSA-N 1 2 341.415 2.176 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@H]1C ZINC000968487884 1221344289 /nfs/dbraw/zinc/34/42/89/1221344289.db2.gz HPFLBLGIGPTCMM-CRAIPNDOSA-N 1 2 337.423 2.475 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)CC[C@H]1C ZINC000968487884 1221344290 /nfs/dbraw/zinc/34/42/90/1221344290.db2.gz HPFLBLGIGPTCMM-CRAIPNDOSA-N 1 2 337.423 2.475 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC000968795276 1221576455 /nfs/dbraw/zinc/57/64/55/1221576455.db2.gz KLELWDNLADUDCY-SECBINFHSA-N 1 2 348.781 2.476 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1cccnc1 ZINC001006547389 1221831935 /nfs/dbraw/zinc/83/19/35/1221831935.db2.gz UBOGTBMBINCXTA-LJQANCHMSA-N 1 2 337.398 2.467 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)c1cccnc1 ZINC001006547389 1221831938 /nfs/dbraw/zinc/83/19/38/1221831938.db2.gz UBOGTBMBINCXTA-LJQANCHMSA-N 1 2 337.398 2.467 20 30 EEEDLO Cc1c(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)cnn1C ZINC001006767680 1221931096 /nfs/dbraw/zinc/93/10/96/1221931096.db2.gz NMXMQNBFUBEDLZ-ZDUSSCGKSA-N 1 2 343.456 2.056 20 30 EEEDLO Cc1c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)cnn1C ZINC001006767680 1221931099 /nfs/dbraw/zinc/93/10/99/1221931099.db2.gz NMXMQNBFUBEDLZ-ZDUSSCGKSA-N 1 2 343.456 2.056 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)[nH]n1 ZINC001006847593 1221977089 /nfs/dbraw/zinc/97/70/89/1221977089.db2.gz UDEOLZPTFMXMQS-QGZVFWFLSA-N 1 2 340.402 2.103 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)[nH]n1 ZINC001006847593 1221977092 /nfs/dbraw/zinc/97/70/92/1221977092.db2.gz UDEOLZPTFMXMQS-QGZVFWFLSA-N 1 2 340.402 2.103 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCCCO3)C2)c1 ZINC001007119631 1222101159 /nfs/dbraw/zinc/10/11/59/1222101159.db2.gz GSHZCRKTTIPTBV-WMZOPIPTSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CCCCO3)C2)c1 ZINC001007119631 1222101162 /nfs/dbraw/zinc/10/11/62/1222101162.db2.gz GSHZCRKTTIPTBV-WMZOPIPTSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(C4CC4)no3)C2)[nH]1 ZINC001007153916 1222112259 /nfs/dbraw/zinc/11/22/59/1222112259.db2.gz YEFGGGNOGSKJRA-AWEZNQCLSA-N 1 2 339.399 2.146 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(C4CC4)no3)C2)[nH]1 ZINC001007153916 1222112260 /nfs/dbraw/zinc/11/22/60/1222112260.db2.gz YEFGGGNOGSKJRA-AWEZNQCLSA-N 1 2 339.399 2.146 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)c3cc[nH]c3)C2)c1 ZINC001007395811 1222204879 /nfs/dbraw/zinc/20/48/79/1222204879.db2.gz HIRNVCNCBHMKKE-MRXNPFEDSA-N 1 2 326.375 2.420 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)c3cc[nH]c3)C2)c1 ZINC001007395811 1222204881 /nfs/dbraw/zinc/20/48/81/1222204881.db2.gz HIRNVCNCBHMKKE-MRXNPFEDSA-N 1 2 326.375 2.420 20 30 EEEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2scnc2C(F)(F)F)C1 ZINC001007515827 1222271219 /nfs/dbraw/zinc/27/12/19/1222271219.db2.gz BMKJLXIHYOQUOF-SNVBAGLBSA-N 1 2 331.363 2.379 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2scnc2C(F)(F)F)C1 ZINC001007515827 1222271218 /nfs/dbraw/zinc/27/12/18/1222271218.db2.gz BMKJLXIHYOQUOF-SNVBAGLBSA-N 1 2 331.363 2.379 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2c(C)nn(C)c2Cl)C1 ZINC001007784901 1222416245 /nfs/dbraw/zinc/41/62/45/1222416245.db2.gz GORRIXYXLZAWLB-LBPRGKRZSA-N 1 2 345.274 2.258 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2c(C)nn(C)c2Cl)C1 ZINC001007784901 1222416247 /nfs/dbraw/zinc/41/62/47/1222416247.db2.gz GORRIXYXLZAWLB-LBPRGKRZSA-N 1 2 345.274 2.258 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001008133637 1222640870 /nfs/dbraw/zinc/64/08/70/1222640870.db2.gz YZQQFSQPQFVGIJ-AWEZNQCLSA-N 1 2 347.850 2.158 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001008133637 1222640873 /nfs/dbraw/zinc/64/08/73/1222640873.db2.gz YZQQFSQPQFVGIJ-AWEZNQCLSA-N 1 2 347.850 2.158 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@](CO)(Nc2cc[nH+]c(C)n2)C1 ZINC001066920312 1222816991 /nfs/dbraw/zinc/81/69/91/1222816991.db2.gz PGZWPWKBLBYRKP-MSOLQXFVSA-N 1 2 332.448 2.153 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3cncc(OC)n3)C2)CC1 ZINC001008416612 1222820442 /nfs/dbraw/zinc/82/04/42/1222820442.db2.gz HHRWVJQEQDHUQF-MRXNPFEDSA-N 1 2 344.459 2.312 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3cncc(OC)n3)C2)CC1 ZINC001008416612 1222820447 /nfs/dbraw/zinc/82/04/47/1222820447.db2.gz HHRWVJQEQDHUQF-MRXNPFEDSA-N 1 2 344.459 2.312 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001009743907 1223352153 /nfs/dbraw/zinc/35/21/53/1223352153.db2.gz OAONRBUQEMFGMK-HNNXBMFYSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001009743907 1223352157 /nfs/dbraw/zinc/35/21/57/1223352157.db2.gz OAONRBUQEMFGMK-HNNXBMFYSA-N 1 2 345.834 2.214 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CC3CCOCC3)C2)c(F)c1 ZINC001010401108 1223702598 /nfs/dbraw/zinc/70/25/98/1223702598.db2.gz VEDBGMXEIZCIHF-QGZVFWFLSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CC3CCOCC3)C2)c(F)c1 ZINC001010401108 1223702600 /nfs/dbraw/zinc/70/26/00/1223702600.db2.gz VEDBGMXEIZCIHF-QGZVFWFLSA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1)n1cccc1 ZINC001010565921 1223785751 /nfs/dbraw/zinc/78/57/51/1223785751.db2.gz JQQRINTYRHLDCG-YOEHRIQHSA-N 1 2 340.402 2.451 20 30 EEEDLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1)n1cccc1 ZINC001010565921 1223785756 /nfs/dbraw/zinc/78/57/56/1223785756.db2.gz JQQRINTYRHLDCG-YOEHRIQHSA-N 1 2 340.402 2.451 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010647445 1223830620 /nfs/dbraw/zinc/83/06/20/1223830620.db2.gz ZHXFRCZVWHNHCU-ZDUSSCGKSA-N 1 2 327.388 2.002 20 30 EEEDLO CC(C)c1ocnc1C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010647445 1223830623 /nfs/dbraw/zinc/83/06/23/1223830623.db2.gz ZHXFRCZVWHNHCU-ZDUSSCGKSA-N 1 2 327.388 2.002 20 30 EEEDLO Cc1ccn(C)c1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010765595 1223896668 /nfs/dbraw/zinc/89/66/68/1223896668.db2.gz DJXULIBLGRSDQW-INIZCTEOSA-N 1 2 340.402 2.349 20 30 EEEDLO Cc1ccn(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010765595 1223896669 /nfs/dbraw/zinc/89/66/69/1223896669.db2.gz DJXULIBLGRSDQW-INIZCTEOSA-N 1 2 340.402 2.349 20 30 EEEDLO CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016434793 1226477563 /nfs/dbraw/zinc/47/75/63/1226477563.db2.gz XXSSURBBRHVPHL-SFHVURJKSA-N 1 2 349.434 2.336 20 30 EEEDLO CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016434793 1226477566 /nfs/dbraw/zinc/47/75/66/1226477566.db2.gz XXSSURBBRHVPHL-SFHVURJKSA-N 1 2 349.434 2.336 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccn(C(F)F)n1 ZINC001014572661 1226792422 /nfs/dbraw/zinc/79/24/22/1226792422.db2.gz QHIJBPLNKSLNGP-HNNXBMFYSA-N 1 2 344.365 2.134 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccn(C(F)F)n1 ZINC001014572661 1226792427 /nfs/dbraw/zinc/79/24/27/1226792427.db2.gz QHIJBPLNKSLNGP-HNNXBMFYSA-N 1 2 344.365 2.134 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cn3c(n2)CCCC3)C1 ZINC001014616851 1226845638 /nfs/dbraw/zinc/84/56/38/1226845638.db2.gz LICBPVQEXGIABI-KRWDZBQOSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cn3c(n2)CCCC3)C1 ZINC001014616851 1226845640 /nfs/dbraw/zinc/84/56/40/1226845640.db2.gz LICBPVQEXGIABI-KRWDZBQOSA-N 1 2 349.438 2.095 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H](C[N@@H+](C)Cc3nncn3C)C2)CC1 ZINC001017196461 1227217506 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FINYFNXAGMPRDS-SOUVJXGZSA-N 1 2 348.878 2.251 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC001019221120 1228890042 /nfs/dbraw/zinc/89/00/42/1228890042.db2.gz QGDYLQRGFREYNC-INIZCTEOSA-N 1 2 345.406 2.439 20 30 EEEDLO CCCc1nc(C)c(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001038156318 1229669599 /nfs/dbraw/zinc/66/95/99/1229669599.db2.gz YUHTXCGMGHHOHG-CQSZACIVSA-N 1 2 341.415 2.140 20 30 EEEDLO CCCc1nc(C)c(C[N@H+]2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001038156318 1229669601 /nfs/dbraw/zinc/66/96/01/1229669601.db2.gz YUHTXCGMGHHOHG-CQSZACIVSA-N 1 2 341.415 2.140 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCCc2c[nH]nc21 ZINC001038262422 1229709723 /nfs/dbraw/zinc/70/97/23/1229709723.db2.gz NEJSDBZCIWNBQQ-MOPGFXCFSA-N 1 2 348.450 2.072 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCCc2c[nH]nc21 ZINC001038262422 1229709726 /nfs/dbraw/zinc/70/97/26/1229709726.db2.gz NEJSDBZCIWNBQQ-MOPGFXCFSA-N 1 2 348.450 2.072 20 30 EEEDLO 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C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1coc(C3CCC3)n1)CO2 ZINC001053977895 1247098692 /nfs/dbraw/zinc/09/86/92/1247098692.db2.gz FITYIDCOYAZVIF-AWEZNQCLSA-N 1 2 331.416 2.091 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(F)cccc1Cl)CO2 ZINC001053991331 1247118672 /nfs/dbraw/zinc/11/86/72/1247118672.db2.gz SLMQAGLODWLOGU-LBPRGKRZSA-N 1 2 336.794 2.076 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc3c1CCC3)CO2 ZINC001054020370 1247159653 /nfs/dbraw/zinc/15/96/53/1247159653.db2.gz KTXCANWXOUCSCW-MRXNPFEDSA-N 1 2 326.440 2.325 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1nc(C)c(C)nc1C ZINC001054046897 1247227023 /nfs/dbraw/zinc/22/70/23/1247227023.db2.gz RKXZAYOMKBHZFC-IBGZPJMESA-N 1 2 348.450 2.192 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1nc(C)c(C)nc1C ZINC001054046897 1247227026 /nfs/dbraw/zinc/22/70/26/1247227026.db2.gz RKXZAYOMKBHZFC-IBGZPJMESA-N 1 2 348.450 2.192 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C(C)C)n[nH]1 ZINC001054053768 1247247922 /nfs/dbraw/zinc/24/79/22/1247247922.db2.gz AGNBSZPLQMJMDE-QGZVFWFLSA-N 1 2 336.439 2.323 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C(C)C)n[nH]1 ZINC001054053768 1247247930 /nfs/dbraw/zinc/24/79/30/1247247930.db2.gz AGNBSZPLQMJMDE-QGZVFWFLSA-N 1 2 336.439 2.323 20 30 EEEDLO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1conc1COC ZINC001054058681 1247262561 /nfs/dbraw/zinc/26/25/61/1247262561.db2.gz TUQMZDDIHMQHMH-INIZCTEOSA-N 1 2 341.411 2.164 20 30 EEEDLO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1conc1COC ZINC001054058681 1247262569 /nfs/dbraw/zinc/26/25/69/1247262569.db2.gz TUQMZDDIHMQHMH-INIZCTEOSA-N 1 2 341.411 2.164 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccnc1OCC ZINC001054059099 1247266491 /nfs/dbraw/zinc/26/64/91/1247266491.db2.gz GPAGZILYCHVVLO-GOSISDBHSA-N 1 2 349.434 2.270 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccnc1OCC ZINC001054059099 1247266501 /nfs/dbraw/zinc/26/65/01/1247266501.db2.gz GPAGZILYCHVVLO-GOSISDBHSA-N 1 2 349.434 2.270 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NCc3ccc4c(c3)CN(CC#N)C4)ccn12 ZINC001054265038 1247932245 /nfs/dbraw/zinc/93/22/45/1247932245.db2.gz BGLCJUOYCCFYCZ-UHFFFAOYSA-N 1 2 345.406 2.412 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCc4cccnc43)cc2C1 ZINC001054278706 1247989324 /nfs/dbraw/zinc/98/93/24/1247989324.db2.gz LAJBUORJZQWPGG-LJQANCHMSA-N 1 2 331.419 2.377 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCc4cccnc43)cc2C1 ZINC001054278706 1247989333 /nfs/dbraw/zinc/98/93/33/1247989333.db2.gz LAJBUORJZQWPGG-LJQANCHMSA-N 1 2 331.419 2.377 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3Cc4ccncc4C3)cc2C1 ZINC001054281385 1247999389 /nfs/dbraw/zinc/99/93/89/1247999389.db2.gz KLZMGOWLGVBZPJ-SFHVURJKSA-N 1 2 331.419 2.062 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3Cc4ccncc4C3)cc2C1 ZINC001054281385 1247999397 /nfs/dbraw/zinc/99/93/97/1247999397.db2.gz KLZMGOWLGVBZPJ-SFHVURJKSA-N 1 2 331.419 2.062 20 30 EEEDLO C=CCC(CC=C)C(=O)NC[C@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001098069802 1251303296 /nfs/dbraw/zinc/30/32/96/1251303296.db2.gz UEXQBQLKFBGHJK-AWEZNQCLSA-N 1 2 343.475 2.150 20 30 EEEDLO C=CCC(CC=C)C(=O)NC[C@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001098069802 1251303299 /nfs/dbraw/zinc/30/32/99/1251303299.db2.gz UEXQBQLKFBGHJK-AWEZNQCLSA-N 1 2 343.475 2.150 20 30 EEEDLO N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cn1 ZINC001068616899 1251408772 /nfs/dbraw/zinc/40/87/72/1251408772.db2.gz ZQGZHRNBBCHZOA-YGUOUDRMSA-N 1 2 346.394 2.450 20 30 EEEDLO C#CCCC[NH+]1CC2(C1)CN(Cc1ccc3ccccc3n1)C(=O)CO2 ZINC001276384461 1253638379 /nfs/dbraw/zinc/63/83/79/1253638379.db2.gz NQRODBAFORWBCH-UHFFFAOYSA-N 1 2 349.434 2.061 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2ccc(F)cn2)CC[C@@H]1C ZINC001071612142 1254428400 /nfs/dbraw/zinc/42/84/00/1254428400.db2.gz CLVIZCKMXGQRFS-WFASDCNBSA-N 1 2 325.815 2.485 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2ccc(F)cn2)CC[C@@H]1C ZINC001071612142 1254428406 /nfs/dbraw/zinc/42/84/06/1254428406.db2.gz CLVIZCKMXGQRFS-WFASDCNBSA-N 1 2 325.815 2.485 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc3ncnn32)CC[C@H]1C ZINC001071650924 1254473705 /nfs/dbraw/zinc/47/37/05/1254473705.db2.gz FIQCWUMQJVEVOK-CHWSQXEVSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccc3ncnn32)CC[C@H]1C ZINC001071650924 1254473707 /nfs/dbraw/zinc/47/37/07/1254473707.db2.gz FIQCWUMQJVEVOK-CHWSQXEVSA-N 1 2 333.823 2.065 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001072110613 1254936664 /nfs/dbraw/zinc/93/66/64/1254936664.db2.gz BCJBZEZGPWTLSK-HZPDHXFCSA-N 1 2 346.475 2.229 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCC(C)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001073051881 1255614008 /nfs/dbraw/zinc/61/40/08/1255614008.db2.gz UVZIPKHZIOJVKX-UHFFFAOYSA-N 1 2 344.459 2.218 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCCC[C@@H]2C[N@@H+](C)Cc2ccon2)nc1 ZINC001074093245 1256698705 /nfs/dbraw/zinc/69/87/05/1256698705.db2.gz QQGVQRITJFIJIH-QGZVFWFLSA-N 1 2 338.411 2.178 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCCC[C@@H]2C[N@H+](C)Cc2ccon2)nc1 ZINC001074093245 1256698713 /nfs/dbraw/zinc/69/87/13/1256698713.db2.gz QQGVQRITJFIJIH-QGZVFWFLSA-N 1 2 338.411 2.178 20 30 EEEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3coc(CC4CC4)n3)C[C@H]21 ZINC001074371569 1256949357 /nfs/dbraw/zinc/94/93/57/1256949357.db2.gz LHFDHABBSYPQSD-SJORKVTESA-N 1 2 345.443 2.119 20 30 EEEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3coc(CC4CC4)n3)C[C@H]21 ZINC001074371569 1256949363 /nfs/dbraw/zinc/94/93/63/1256949363.db2.gz LHFDHABBSYPQSD-SJORKVTESA-N 1 2 345.443 2.119 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001075007212 1257253897 /nfs/dbraw/zinc/25/38/97/1257253897.db2.gz VVBCRRMDVDHTPB-ZBFHGGJFSA-N 1 2 344.459 2.216 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001075088778 1257356726 /nfs/dbraw/zinc/35/67/26/1257356726.db2.gz MVTHMLBGAMCVGD-HIFRSBDPSA-N 1 2 332.448 2.113 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H](C)C2)CC1 ZINC001075157772 1257440025 /nfs/dbraw/zinc/44/00/25/1257440025.db2.gz FLSQDPHKYLCQMQ-HOTGVXAUSA-N 1 2 344.459 2.125 20 30 EEEDLO N#Cc1ccc(N[C@H]2CCC[C@@H](NC(=O)CCc3[nH]cc[nH+]3)C2)cn1 ZINC001098618168 1257727724 /nfs/dbraw/zinc/72/77/24/1257727724.db2.gz XEBOQGAAIHBTQN-UONOGXRCSA-N 1 2 338.415 2.148 20 30 EEEDLO C#CCOCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nccs1 ZINC001099074231 1257957925 /nfs/dbraw/zinc/95/79/25/1257957925.db2.gz JQMWQKOCQWMUHA-OAHLLOKOSA-N 1 2 349.500 2.290 20 30 EEEDLO C#CCOCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nccs1 ZINC001099074231 1257957930 /nfs/dbraw/zinc/95/79/30/1257957930.db2.gz JQMWQKOCQWMUHA-OAHLLOKOSA-N 1 2 349.500 2.290 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(C3CC3)no2)C[C@@H]1O ZINC001099946538 1258461133 /nfs/dbraw/zinc/46/11/33/1258461133.db2.gz HUPMJJCOXGGSIP-WBVHZDCISA-N 1 2 347.459 2.206 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C[C@@H]1O ZINC001099946538 1258461139 /nfs/dbraw/zinc/46/11/39/1258461139.db2.gz HUPMJJCOXGGSIP-WBVHZDCISA-N 1 2 347.459 2.206 20 30 EEEDLO CCN(CCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccncc1C#N ZINC001100760962 1259225922 /nfs/dbraw/zinc/22/59/22/1259225922.db2.gz OCQJRFQISRREIT-UHFFFAOYSA-N 1 2 334.383 2.086 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001100822526 1259302458 /nfs/dbraw/zinc/30/24/58/1259302458.db2.gz XRAUYLMTYUVWRA-KXBFYZLASA-N 1 2 344.459 2.075 20 30 EEEDLO N#Cc1c(F)cccc1N1CCC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001100823169 1259303344 /nfs/dbraw/zinc/30/33/44/1259303344.db2.gz DYWIZFJBDYDNQM-ZDUSSCGKSA-N 1 2 341.390 2.138 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001135147843 1278168084 /nfs/dbraw/zinc/16/80/84/1278168084.db2.gz PUCVIBOSVBPYEQ-BBRMVZONSA-N 1 2 335.448 2.159 20 30 EEEDLO C=CCCCC[N@@H+]1C[C@]2(F)CN(Cc3cnoc3)C(=O)[C@]2(F)C1 ZINC001273501765 1278596341 /nfs/dbraw/zinc/59/63/41/1278596341.db2.gz VNQGWQHAIDXJFH-JKSUJKDBSA-N 1 2 325.359 2.105 20 30 EEEDLO C=CCCCC[N@H+]1C[C@]2(F)CN(Cc3cnoc3)C(=O)[C@]2(F)C1 ZINC001273501765 1278596345 /nfs/dbraw/zinc/59/63/45/1278596345.db2.gz VNQGWQHAIDXJFH-JKSUJKDBSA-N 1 2 325.359 2.105 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccc(O)cc1 ZINC001110371472 1278823553 /nfs/dbraw/zinc/82/35/53/1278823553.db2.gz NUIRRLOGHJQQFN-OIISXLGYSA-N 1 2 343.427 2.018 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccc(O)cc1 ZINC001110371472 1278823559 /nfs/dbraw/zinc/82/35/59/1278823559.db2.gz NUIRRLOGHJQQFN-OIISXLGYSA-N 1 2 343.427 2.018 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@H](n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001185993405 1278882285 /nfs/dbraw/zinc/88/22/85/1278882285.db2.gz XJBJWQBUMCDGRU-FUHWJXTLSA-N 1 2 343.475 2.157 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@H](n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001185993407 1278883965 /nfs/dbraw/zinc/88/39/65/1278883965.db2.gz XJBJWQBUMCDGRU-WMZOPIPTSA-N 1 2 343.475 2.157 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)C[C@H](C)CC(C)C)C2)nn1 ZINC001186028700 1278916335 /nfs/dbraw/zinc/91/63/35/1278916335.db2.gz 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ZINC001104153391 1303605623 /nfs/dbraw/zinc/60/56/23/1303605623.db2.gz ZKPOMJOFTZEMIG-CYBMUJFWSA-N 1 2 329.379 2.148 20 30 EEEDLO CC(C)C#CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2noc(C3CC3)n2)C1 ZINC001104167587 1303616495 /nfs/dbraw/zinc/61/64/95/1303616495.db2.gz AGSZWCWIYZWMSK-GDBMZVCRSA-N 1 2 344.459 2.181 20 30 EEEDLO CC[C@@H](OC)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001231101274 1303629919 /nfs/dbraw/zinc/62/99/19/1303629919.db2.gz ARCHPLGEZGTTND-IAGOWNOFSA-N 1 2 345.443 2.025 20 30 EEEDLO CC[C@@H](OC)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001231101274 1303629924 /nfs/dbraw/zinc/62/99/24/1303629924.db2.gz ARCHPLGEZGTTND-IAGOWNOFSA-N 1 2 345.443 2.025 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111640934 1303745972 /nfs/dbraw/zinc/74/59/72/1303745972.db2.gz BARTZGWCXWABEU-IIDMSEBBSA-N 1 2 332.448 2.199 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001111666813 1303763375 /nfs/dbraw/zinc/76/33/75/1303763375.db2.gz MODYVFXQHJPABB-AZOIQLNYSA-N 1 2 340.402 2.328 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001111666813 1303763378 /nfs/dbraw/zinc/76/33/78/1303763378.db2.gz MODYVFXQHJPABB-AZOIQLNYSA-N 1 2 340.402 2.328 20 30 EEEDLO CCOC[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC)Cc2ncn(C)c21 ZINC001231618390 1303867162 /nfs/dbraw/zinc/86/71/62/1303867162.db2.gz HCJQSTZZZLSURW-MRXNPFEDSA-N 1 2 340.427 2.436 20 30 EEEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)Cc2ncn(C)c21 ZINC001231618390 1303867169 /nfs/dbraw/zinc/86/71/69/1303867169.db2.gz HCJQSTZZZLSURW-MRXNPFEDSA-N 1 2 340.427 2.436 20 30 EEEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(COC)no1)C2 ZINC001111855554 1304002822 /nfs/dbraw/zinc/00/28/22/1304002822.db2.gz AUGHNXYHIKZEHB-KSSFIOAISA-N 1 2 348.447 2.043 20 30 EEEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(COC)no1)C2 ZINC001111855554 1304002830 /nfs/dbraw/zinc/00/28/30/1304002830.db2.gz AUGHNXYHIKZEHB-KSSFIOAISA-N 1 2 348.447 2.043 20 30 EEEDLO COc1ccsc1C[N@@H+]1CC[C@H]2C[C@]21C(=O)NC1(C#N)CCC1 ZINC001277731333 1304287279 /nfs/dbraw/zinc/28/72/79/1304287279.db2.gz AKKBXWKUTAFUTN-YVEFUNNKSA-N 1 2 331.441 2.284 20 30 EEEDLO COc1ccsc1C[N@H+]1CC[C@H]2C[C@]21C(=O)NC1(C#N)CCC1 ZINC001277731333 1304287282 /nfs/dbraw/zinc/28/72/82/1304287282.db2.gz AKKBXWKUTAFUTN-YVEFUNNKSA-N 1 2 331.441 2.284 20 30 EEEDLO CCC(=CC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(CC)CCC#N)CC ZINC001233601485 1304530560 /nfs/dbraw/zinc/53/05/60/1304530560.db2.gz UVTLIQZYCWUZAS-QGZVFWFLSA-N 1 2 348.491 2.028 20 30 EEEDLO CCC(=CC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(CC)CCC#N)CC ZINC001233601485 1304530563 /nfs/dbraw/zinc/53/05/63/1304530563.db2.gz UVTLIQZYCWUZAS-QGZVFWFLSA-N 1 2 348.491 2.028 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)NC1CCCC1 ZINC001233802561 1304599967 /nfs/dbraw/zinc/59/99/67/1304599967.db2.gz XANLGKWRQURKRY-SJLPKXTDSA-N 1 2 347.503 2.160 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC1CCCC1 ZINC001233802561 1304599974 /nfs/dbraw/zinc/59/99/74/1304599974.db2.gz XANLGKWRQURKRY-SJLPKXTDSA-N 1 2 347.503 2.160 20 30 EEEDLO CO[C@H](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001233828867 1304605884 /nfs/dbraw/zinc/60/58/84/1304605884.db2.gz QIFLXZQRMASGDD-ZIAGYGMSSA-N 1 2 335.473 2.468 20 30 EEEDLO CO[C@H](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001233828867 1304605889 /nfs/dbraw/zinc/60/58/89/1304605889.db2.gz QIFLXZQRMASGDD-ZIAGYGMSSA-N 1 2 335.473 2.468 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)CC ZINC001233926879 1304642540 /nfs/dbraw/zinc/64/25/40/1304642540.db2.gz ULWPOGAVMSKUFM-DLBZAZTESA-N 1 2 337.508 2.380 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)CC ZINC001233926879 1304642546 /nfs/dbraw/zinc/64/25/46/1304642546.db2.gz ULWPOGAVMSKUFM-DLBZAZTESA-N 1 2 337.508 2.380 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001233976556 1304663703 /nfs/dbraw/zinc/66/37/03/1304663703.db2.gz 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COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234118228 1304750176 /nfs/dbraw/zinc/75/01/76/1304750176.db2.gz HHIPJQKJJICSEK-GOSISDBHSA-N 1 2 339.439 2.259 20 30 EEEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC1CCCCC1 ZINC001234132356 1304756618 /nfs/dbraw/zinc/75/66/18/1304756618.db2.gz WDTGVAUITMSKGG-WMZOPIPTSA-N 1 2 347.503 2.016 20 30 EEEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC1CCCCC1 ZINC001234132356 1304756621 /nfs/dbraw/zinc/75/66/21/1304756621.db2.gz WDTGVAUITMSKGG-WMZOPIPTSA-N 1 2 347.503 2.016 20 30 EEEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)[C@@H](C)CC(C)C ZINC001234171007 1304779235 /nfs/dbraw/zinc/77/92/35/1304779235.db2.gz NIPFRKKRGAKQDE-ZWKOTPCHSA-N 1 2 349.519 2.072 20 30 EEEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)[C@@H](C)CC(C)C ZINC001234171007 1304779241 /nfs/dbraw/zinc/77/92/41/1304779241.db2.gz NIPFRKKRGAKQDE-ZWKOTPCHSA-N 1 2 349.519 2.072 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CC1 ZINC001234479869 1304938706 /nfs/dbraw/zinc/93/87/06/1304938706.db2.gz ZIMYHRHHYFKVRH-HZPDHXFCSA-N 1 2 335.492 2.132 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CC1 ZINC001234479869 1304938708 /nfs/dbraw/zinc/93/87/08/1304938708.db2.gz ZIMYHRHHYFKVRH-HZPDHXFCSA-N 1 2 335.492 2.132 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001115326911 1304947187 /nfs/dbraw/zinc/94/71/87/1304947187.db2.gz WFDYPODFZORMKG-HWWDLCQESA-N 1 2 349.500 2.235 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001115326911 1304947191 /nfs/dbraw/zinc/94/71/91/1304947191.db2.gz WFDYPODFZORMKG-HWWDLCQESA-N 1 2 349.500 2.235 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2nnsc2Cl)CCCCC1 ZINC001115451988 1305143628 /nfs/dbraw/zinc/14/36/28/1305143628.db2.gz MUQIDPKOBQGFEE-JTQLQIEISA-N 1 2 341.868 2.260 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2CC(=O)N[C@H](C)CCC)CCC1 ZINC001235224322 1305155035 /nfs/dbraw/zinc/15/50/35/1305155035.db2.gz GKPDQHKYGXBJKX-IAGOWNOFSA-N 1 2 347.503 2.018 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2CC(=O)N[C@H](C)CCC)CCC1 ZINC001235224322 1305155040 /nfs/dbraw/zinc/15/50/40/1305155040.db2.gz GKPDQHKYGXBJKX-IAGOWNOFSA-N 1 2 347.503 2.018 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCNC(=O)c1cnc(C)s1 ZINC001235277791 1305174704 /nfs/dbraw/zinc/17/47/04/1305174704.db2.gz QZAOHMQBGVKVTH-UHFFFAOYSA-N 1 2 332.267 2.412 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)c1cnc(C)s1 ZINC001235277791 1305174705 /nfs/dbraw/zinc/17/47/05/1305174705.db2.gz QZAOHMQBGVKVTH-UHFFFAOYSA-N 1 2 332.267 2.412 20 30 EEEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC001235451862 1305236744 /nfs/dbraw/zinc/23/67/44/1305236744.db2.gz RAAZJJYJYZWLCL-UHFFFAOYSA-N 1 2 327.432 2.172 20 30 EEEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC001235451862 1305236748 /nfs/dbraw/zinc/23/67/48/1305236748.db2.gz RAAZJJYJYZWLCL-UHFFFAOYSA-N 1 2 327.432 2.172 20 30 EEEDLO C[C@H]1C[N@H+](Cc2cn3cc(C#N)ccc3n2)CC[C@@]1(O)C(F)(F)F ZINC001237609267 1306001274 /nfs/dbraw/zinc/00/12/74/1306001274.db2.gz PFRGODPMSZZPRB-NHYWBVRUSA-N 1 2 338.333 2.341 20 30 EEEDLO C[C@H]1C[N@@H+](Cc2cn3cc(C#N)ccc3n2)CC[C@@]1(O)C(F)(F)F ZINC001237609267 1306001283 /nfs/dbraw/zinc/00/12/83/1306001283.db2.gz PFRGODPMSZZPRB-NHYWBVRUSA-N 1 2 338.333 2.341 20 30 EEEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)Cc2c1cnn2C ZINC001238405016 1306369396 /nfs/dbraw/zinc/36/93/96/1306369396.db2.gz AYWRJDHQOXEKHR-INIZCTEOSA-N 1 2 340.427 2.436 20 30 EEEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)Cc2c1cnn2C ZINC001238405016 1306369404 /nfs/dbraw/zinc/36/94/04/1306369404.db2.gz AYWRJDHQOXEKHR-INIZCTEOSA-N 1 2 340.427 2.436 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C[C@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001120151873 1309351552 /nfs/dbraw/zinc/35/15/52/1309351552.db2.gz UWJPFMLLYLGFFE-AWEZNQCLSA-N 1 2 345.491 2.326 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C[C@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001120151873 1309351562 /nfs/dbraw/zinc/35/15/62/1309351562.db2.gz UWJPFMLLYLGFFE-AWEZNQCLSA-N 1 2 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N#Cc1cc(C[N@H+]2CCCN(C(=O)C3(CF)CC3)CC2)ccc1F ZINC000981929530 778551920 /nfs/dbraw/zinc/55/19/20/778551920.db2.gz WTWRZZGGOHMHJE-UHFFFAOYSA-N 1 2 333.382 2.481 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)C3(CF)CC3)CC2)ccc1F ZINC000981929530 778551922 /nfs/dbraw/zinc/55/19/22/778551922.db2.gz WTWRZZGGOHMHJE-UHFFFAOYSA-N 1 2 333.382 2.481 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N(CC)CCNc1[nH+]cnc2c1cnn2C ZINC001106923653 778777105 /nfs/dbraw/zinc/77/71/05/778777105.db2.gz DLUJDICYWWILLX-QWHCGFSZSA-N 1 2 330.436 2.082 20 30 EEEDLO CCc1noc([C@H](C)[N@@H+]2C[C@@]3(C)CN(C(=O)[C@H](C)C#N)C[C@@]3(C)C2)n1 ZINC000982233637 779343418 /nfs/dbraw/zinc/34/34/18/779343418.db2.gz YLJOJRPYDSKEHF-OBQMCUGOSA-N 1 2 345.447 2.023 20 30 EEEDLO CCc1noc([C@H](C)[N@H+]2C[C@@]3(C)CN(C(=O)[C@H](C)C#N)C[C@@]3(C)C2)n1 ZINC000982233637 779343422 /nfs/dbraw/zinc/34/34/22/779343422.db2.gz YLJOJRPYDSKEHF-OBQMCUGOSA-N 1 2 345.447 2.023 20 30 EEEDLO C[C@@H](CCCNc1ncc(C#N)cc1Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC001114983343 779702036 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EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2cnns2)C[C@H]1C ZINC000942130655 781790887 /nfs/dbraw/zinc/79/08/87/781790887.db2.gz OHBWLLUPYMASIG-UKRRQHHQSA-N 1 2 345.472 2.166 20 30 EEEDLO CCc1cnc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2CC)o1 ZINC001087545393 781791408 /nfs/dbraw/zinc/79/14/08/781791408.db2.gz HMKVMDMKVDNWOM-GOEBONIOSA-N 1 2 341.415 2.220 20 30 EEEDLO CCc1cnc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2CC)o1 ZINC001087545393 781791412 /nfs/dbraw/zinc/79/14/12/781791412.db2.gz HMKVMDMKVDNWOM-GOEBONIOSA-N 1 2 341.415 2.220 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)CSCC#N)C[N@@H+]1Cc1cc(C2CC2)no1 ZINC001131830139 783325562 /nfs/dbraw/zinc/32/55/62/783325562.db2.gz ORNBQDKOGITOHD-OCCSQVGLSA-N 1 2 348.472 2.278 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)CSCC#N)C[N@H+]1Cc1cc(C2CC2)no1 ZINC001131830139 783325572 /nfs/dbraw/zinc/32/55/72/783325572.db2.gz ORNBQDKOGITOHD-OCCSQVGLSA-N 1 2 348.472 2.278 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)nc1 ZINC001061626018 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344.459 2.319 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(F)c(C(F)F)c2)C1 ZINC001035368567 784383721 /nfs/dbraw/zinc/38/37/21/784383721.db2.gz SYTAUYFRULNQNS-LBPRGKRZSA-N 1 2 328.334 2.380 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(F)c(C(F)F)c2)C1 ZINC001035368567 784383730 /nfs/dbraw/zinc/38/37/30/784383730.db2.gz SYTAUYFRULNQNS-LBPRGKRZSA-N 1 2 328.334 2.380 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc3c(o2)c(F)ccc3C)C1 ZINC001035452863 784500677 /nfs/dbraw/zinc/50/06/77/784500677.db2.gz INEVHDHYGZACOU-AWEZNQCLSA-N 1 2 344.386 2.334 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc3c(o2)c(F)ccc3C)C1 ZINC001035452863 784500679 /nfs/dbraw/zinc/50/06/79/784500679.db2.gz INEVHDHYGZACOU-AWEZNQCLSA-N 1 2 344.386 2.334 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001035456897 784508538 /nfs/dbraw/zinc/50/85/38/784508538.db2.gz VLMFEMSZHLKEEB-WMZOPIPTSA-N 1 2 332.419 2.249 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001035456897 784508547 /nfs/dbraw/zinc/50/85/47/784508547.db2.gz VLMFEMSZHLKEEB-WMZOPIPTSA-N 1 2 332.419 2.249 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2occc2-c2ccccc2)C1 ZINC001035441904 784533814 /nfs/dbraw/zinc/53/38/14/784533814.db2.gz MIBQBXSWXZNXPJ-QGZVFWFLSA-N 1 2 338.407 2.401 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2occc2-c2ccccc2)C1 ZINC001035441904 784533818 /nfs/dbraw/zinc/53/38/18/784533818.db2.gz MIBQBXSWXZNXPJ-QGZVFWFLSA-N 1 2 338.407 2.401 20 30 EEEDLO Cc1nc(NC[C@H]2CCCN2C(=O)[C@H](C)C#N)c2c([nH+]1)CCCC2 ZINC001063453765 791040555 /nfs/dbraw/zinc/04/05/55/791040555.db2.gz JMZHLJIVMBNKBB-TZMCWYRMSA-N 1 2 327.432 2.226 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001061881047 784670559 /nfs/dbraw/zinc/67/05/59/784670559.db2.gz GKBZUEATVBDUAB-XYPHTWIQSA-N 1 2 344.459 2.415 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnoc2-c2ccccc2)C1 ZINC001035565657 784745059 /nfs/dbraw/zinc/74/50/59/784745059.db2.gz MWMCZLTWXXPZIY-INIZCTEOSA-N 1 2 341.411 2.348 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnoc2-c2ccccc2)C1 ZINC001035565657 784745065 /nfs/dbraw/zinc/74/50/65/784745065.db2.gz MWMCZLTWXXPZIY-INIZCTEOSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)nc3ccccc32)C1 ZINC001035598260 784754664 /nfs/dbraw/zinc/75/46/64/784754664.db2.gz SVUXNIMXHLBWRA-OAHLLOKOSA-N 1 2 325.412 2.160 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)nc3ccccc32)C1 ZINC001035598260 784754672 /nfs/dbraw/zinc/75/46/72/784754672.db2.gz SVUXNIMXHLBWRA-OAHLLOKOSA-N 1 2 325.412 2.160 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2oc3ccccc3c2C)C1 ZINC001035603542 784764714 /nfs/dbraw/zinc/76/47/14/784764714.db2.gz SOZKAWLTYWIKAL-HNNXBMFYSA-N 1 2 326.396 2.195 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2oc3ccccc3c2C)C1 ZINC001035603542 784764722 /nfs/dbraw/zinc/76/47/22/784764722.db2.gz SOZKAWLTYWIKAL-HNNXBMFYSA-N 1 2 326.396 2.195 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccoc2Br)C1 ZINC001035576657 784771847 /nfs/dbraw/zinc/77/18/47/784771847.db2.gz GEXYQGONSZNTBI-LLVKDONJSA-N 1 2 343.221 2.049 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccoc2Br)C1 ZINC001035576657 784771853 /nfs/dbraw/zinc/77/18/53/784771853.db2.gz GEXYQGONSZNTBI-LLVKDONJSA-N 1 2 343.221 2.049 20 30 EEEDLO Cc1cnc([C@H](C)[NH+]2CC3(C2)CCN(C(=O)C#CC2CC2)CC3)o1 ZINC001035702564 784982294 /nfs/dbraw/zinc/98/22/94/784982294.db2.gz WRCNZXRSDBYDHC-HNNXBMFYSA-N 1 2 327.428 2.382 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc(OCC)n[nH]1)CC2 ZINC001035732052 785036085 /nfs/dbraw/zinc/03/60/85/785036085.db2.gz UOFIYEBHFKXMMU-UHFFFAOYSA-N 1 2 338.839 2.099 20 30 EEEDLO C=C(C)CNC(=S)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000818264577 785228963 /nfs/dbraw/zinc/22/89/63/785228963.db2.gz ZQIUULMDJGQIQS-UHFFFAOYSA-N 1 2 346.500 2.130 20 30 EEEDLO C=C[C@@H]1C[C@@]1(Nc1ccc(-n2c[nH+]c(C)c2C)nn1)C(=O)OCC ZINC001170921337 785406449 /nfs/dbraw/zinc/40/64/49/785406449.db2.gz BPQZURKLGVCBBT-DYVFJYSZSA-N 1 2 327.388 2.199 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC/C=C\CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001107149064 786117489 /nfs/dbraw/zinc/11/74/89/786117489.db2.gz VJKPEEKIIRCKEM-ZEVQVBBLSA-N 1 2 332.448 2.320 20 30 EEEDLO C=CCC(CC=C)C(=O)NCc1cn(C2C[NH+](CC=C(C)C)C2)nn1 ZINC001107173402 786218147 /nfs/dbraw/zinc/21/81/47/786218147.db2.gz AZAADDJKNBJUMH-UHFFFAOYSA-N 1 2 343.475 2.486 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@H]3CCC[C@@H]3C)nn2)C1 ZINC001107174461 786225112 /nfs/dbraw/zinc/22/51/12/786225112.db2.gz RNNFPQDLYRCGRW-LSDHHAIUSA-N 1 2 331.464 2.153 20 30 EEEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@H](CC)CCCC)nn2)C1 ZINC001107187851 786287652 /nfs/dbraw/zinc/28/76/52/786287652.db2.gz KOSQKBOJXFVEMY-MRXNPFEDSA-N 1 2 345.491 2.381 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCc1cn(C2C[NH+](CC=C(C)C)C2)nn1 ZINC001107197114 786355685 /nfs/dbraw/zinc/35/56/85/786355685.db2.gz BJRRCMIETUWPLR-HUUCEWRRSA-N 1 2 331.464 2.175 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@H](C)CC(C)(C)C)nn2)C1 ZINC001107213478 786443394 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Cc1cc(N2C[C@@H](C)[C@H](NC(=O)C#CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001090706069 787888832 /nfs/dbraw/zinc/88/88/32/787888832.db2.gz UWZGJLREDJUZCC-CZUORRHYSA-N 1 2 326.444 2.263 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(Cl)cc2)[C@@H](O)C1 ZINC001090770864 788192712 /nfs/dbraw/zinc/19/27/12/788192712.db2.gz LWVCWIDLNXEVQJ-GJZGRUSLSA-N 1 2 343.254 2.186 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(Cl)cc2)[C@@H](O)C1 ZINC001090770864 788192716 /nfs/dbraw/zinc/19/27/16/788192716.db2.gz LWVCWIDLNXEVQJ-GJZGRUSLSA-N 1 2 343.254 2.186 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(C)C1CC(Nc2[nH+]cnc3c2cnn3C)C1 ZINC001127071025 788340211 /nfs/dbraw/zinc/34/02/11/788340211.db2.gz VFUSQECOTMHPIC-KJBLDROHSA-N 1 2 342.447 2.367 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccoc2C(C)C)[C@H](O)C1 ZINC001090839349 788517521 /nfs/dbraw/zinc/51/75/21/788517521.db2.gz KUCFNWXKOSFPHH-ZIAGYGMSSA-N 1 2 326.824 2.321 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2C(C)C)[C@H](O)C1 ZINC001090839349 788517526 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C=CCOCCCC(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091554748 791230425 /nfs/dbraw/zinc/23/04/25/791230425.db2.gz YWJJCNPQARWIBQ-JKSUJKDBSA-N 1 2 332.448 2.465 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001106067246 791283206 /nfs/dbraw/zinc/28/32/06/791283206.db2.gz SRAIFIWKPQQRFW-LSDHHAIUSA-N 1 2 346.475 2.155 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001063566937 791335627 /nfs/dbraw/zinc/33/56/27/791335627.db2.gz SVEYLIKRISSCEW-CYBMUJFWSA-N 1 2 327.363 2.066 20 30 EEEDLO C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001063566860 791335737 /nfs/dbraw/zinc/33/57/37/791335737.db2.gz PDZJSWWQIIZTDG-GOEBONIOSA-N 1 2 338.415 2.204 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2c3ccccc3[nH]c2=O)[C@H]1C ZINC001088880119 791356923 /nfs/dbraw/zinc/35/69/23/791356923.db2.gz UMNSUWHENQCHTO-OLZOCXBDSA-N 1 2 348.834 2.073 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2c3ccccc3[nH]c2=O)[C@H]1C ZINC001088880119 791356931 /nfs/dbraw/zinc/35/69/31/791356931.db2.gz UMNSUWHENQCHTO-OLZOCXBDSA-N 1 2 348.834 2.073 20 30 EEEDLO C#CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nnc(C)o1 ZINC001099048652 791517300 /nfs/dbraw/zinc/51/73/00/791517300.db2.gz JLQZLJFJPISTEY-HNNXBMFYSA-N 1 2 332.448 2.288 20 30 EEEDLO C#CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nnc(C)o1 ZINC001099048652 791517310 /nfs/dbraw/zinc/51/73/10/791517310.db2.gz JLQZLJFJPISTEY-HNNXBMFYSA-N 1 2 332.448 2.288 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](CC)CC(C)C)C2)nn1 ZINC001098766703 791657008 /nfs/dbraw/zinc/65/70/08/791657008.db2.gz FSILFBNMDYOVGF-SJLPKXTDSA-N 1 2 345.491 2.237 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)[C@H](C)C2)nc1 ZINC001063751910 791661594 /nfs/dbraw/zinc/66/15/94/791661594.db2.gz FBWDOBMYLNDZJE-CZUORRHYSA-N 1 2 335.411 2.124 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(C)(C)CC(C)C)C2)nn1 ZINC001098766954 791704893 /nfs/dbraw/zinc/70/48/93/791704893.db2.gz IQTNTCKEERJPMY-QGZVFWFLSA-N 1 2 345.491 2.237 20 30 EEEDLO N#CCCn1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000173352005 791843074 /nfs/dbraw/zinc/84/30/74/791843074.db2.gz NIUOOHMWXXQVHF-UHFFFAOYSA-N 1 2 335.371 2.304 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn3c2C[C@H](C)CC3)[C@H]1C ZINC001089010301 791884879 /nfs/dbraw/zinc/88/48/79/791884879.db2.gz UMKHXFUWTNSWQZ-KYOSRNDESA-N 1 2 336.867 2.411 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn3c2C[C@H](C)CC3)[C@H]1C ZINC001089010301 791884884 /nfs/dbraw/zinc/88/48/84/791884884.db2.gz UMKHXFUWTNSWQZ-KYOSRNDESA-N 1 2 336.867 2.411 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ncnn1C(C)C)C2 ZINC001147631367 791890858 /nfs/dbraw/zinc/89/08/58/791890858.db2.gz VAHNXIBCPPKZQQ-UHFFFAOYSA-N 1 2 345.491 2.496 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1ncnn1C(C)C)C2 ZINC001147631367 791890863 /nfs/dbraw/zinc/89/08/63/791890863.db2.gz VAHNXIBCPPKZQQ-UHFFFAOYSA-N 1 2 345.491 2.496 20 30 EEEDLO C#CCC1(C(=O)N2CC3(C2)CC[N@@H+]([C@H](C)c2nc(C)no2)C3)CCC1 ZINC001147696620 791915817 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C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(CC)o1)C2 ZINC001148130218 792206296 /nfs/dbraw/zinc/20/62/96/792206296.db2.gz MAZFYSCSQZVVQG-AWEZNQCLSA-N 1 2 332.448 2.269 20 30 EEEDLO C=CCOCC(=O)N1C[C@@H](C)[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001112310064 792419909 /nfs/dbraw/zinc/41/99/09/792419909.db2.gz FKWYCKQUEDRFCH-DOMZBBRYSA-N 1 2 330.432 2.124 20 30 EEEDLO C=CCCCC(=O)NCC1(NC(=O)c2cccc3[nH+]ccn32)CCC1 ZINC001064277307 792794670 /nfs/dbraw/zinc/79/46/70/792794670.db2.gz UWTKRARWJSDPFQ-UHFFFAOYSA-N 1 2 340.427 2.459 20 30 EEEDLO C=C(C)[C@H](CC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CC1)OCC ZINC001109916076 806190439 /nfs/dbraw/zinc/19/04/39/806190439.db2.gz RKBJMWXKCUKXOQ-HOTGVXAUSA-N 1 2 332.448 2.463 20 30 EEEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](Cc2nncn2C)CC3)CC1 ZINC000992147784 792922620 /nfs/dbraw/zinc/92/26/20/792922620.db2.gz ABDDLSPIGXMYGQ-APWZRJJASA-N 1 2 343.475 2.175 20 30 EEEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](Cc2nncn2C)CC3)CC1 ZINC000992147784 792922624 /nfs/dbraw/zinc/92/26/24/792922624.db2.gz ABDDLSPIGXMYGQ-APWZRJJASA-N 1 2 343.475 2.175 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC1(NC(=O)CCc2[nH+]ccn2C)CCC1 ZINC001064396941 793030784 /nfs/dbraw/zinc/03/07/84/793030784.db2.gz GUUVRTHGMRRECN-SFHVURJKSA-N 1 2 346.475 2.110 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001110124683 793357508 /nfs/dbraw/zinc/35/75/08/793357508.db2.gz WSVPYZRYRFCUOE-QGZVFWFLSA-N 1 2 330.432 2.050 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1C ZINC001091956089 793461070 /nfs/dbraw/zinc/46/10/70/793461070.db2.gz PCHVWAOKJIYKCM-ZRGWGRIASA-N 1 2 346.475 2.319 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)CC2(CCOCC2)C1 ZINC001092123954 793590890 /nfs/dbraw/zinc/59/08/90/793590890.db2.gz QMKXCDQPSYWIJS-INIZCTEOSA-N 1 2 344.459 2.243 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2sc(C)cc2C)[C@@H](O)C1 ZINC001090298727 793604928 /nfs/dbraw/zinc/60/49/28/793604928.db2.gz RSGWGVWDGLUTTQ-STQMWFEESA-N 1 2 328.865 2.282 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2sc(C)cc2C)[C@@H](O)C1 ZINC001090298727 793604933 /nfs/dbraw/zinc/60/49/33/793604933.db2.gz RSGWGVWDGLUTTQ-STQMWFEESA-N 1 2 328.865 2.282 20 30 EEEDLO C[C@H](CC(=O)NCC1CC(Nc2ccc(C#N)nc2)C1)n1cc[nH+]c1 ZINC001092268111 793735469 /nfs/dbraw/zinc/73/54/69/793735469.db2.gz HPQFVQMIBZYDLE-TUBUQKNSSA-N 1 2 338.415 2.108 20 30 EEEDLO C[C@H]1C[C@H](Nc2ccc(C#N)cn2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001064815794 793809310 /nfs/dbraw/zinc/80/93/10/793809310.db2.gz GQKLAJCXNDFABI-GOEBONIOSA-N 1 2 338.415 2.031 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ncc(Cl)s1)c1nccn12 ZINC001092380801 793875850 /nfs/dbraw/zinc/87/58/50/793875850.db2.gz IYJBYTNTRPGPJP-SNVBAGLBSA-N 1 2 349.847 2.065 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)oc(C)c1C)c1nccn12 ZINC001092380833 793876020 /nfs/dbraw/zinc/87/60/20/793876020.db2.gz KCQNYAVPVAJHTB-OAHLLOKOSA-N 1 2 340.427 2.473 20 30 EEEDLO CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)c(C)n1 ZINC001032654537 793947972 /nfs/dbraw/zinc/94/79/72/793947972.db2.gz BPFZOZSEKRHBAO-ROUUACIJSA-N 1 2 349.438 2.182 20 30 EEEDLO CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)c(C)n1 ZINC001032654537 793947978 /nfs/dbraw/zinc/94/79/78/793947978.db2.gz BPFZOZSEKRHBAO-ROUUACIJSA-N 1 2 349.438 2.182 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)n1 ZINC001065034167 794122111 /nfs/dbraw/zinc/12/21/11/794122111.db2.gz GRVSVZWTJGHHLE-INIZCTEOSA-N 1 2 338.415 2.021 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)n1 ZINC001065034167 794122120 /nfs/dbraw/zinc/12/21/20/794122120.db2.gz GRVSVZWTJGHHLE-INIZCTEOSA-N 1 2 338.415 2.021 20 30 EEEDLO Cc1nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)C#N)C3)c2c([nH+]1)CCCC2 ZINC001092811484 794373141 /nfs/dbraw/zinc/37/31/41/794373141.db2.gz IZNHIOLISACUSS-AQMVCYDESA-N 1 2 339.443 2.049 20 30 EEEDLO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2nccs2)C1 ZINC001079146467 794376083 /nfs/dbraw/zinc/37/60/83/794376083.db2.gz NURFMPCDRVEDQJ-HZPDHXFCSA-N 1 2 343.452 2.017 20 30 EEEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2nccs2)C1 ZINC001079146467 794376090 /nfs/dbraw/zinc/37/60/90/794376090.db2.gz NURFMPCDRVEDQJ-HZPDHXFCSA-N 1 2 343.452 2.017 20 30 EEEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@@H]1CCCO1 ZINC001079386244 794677084 /nfs/dbraw/zinc/67/70/84/794677084.db2.gz DZOBMUGAYKKJQS-OLMNPRSZSA-N 1 2 346.858 2.307 20 30 EEEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@@H]1CCCO1 ZINC001079386244 794677086 /nfs/dbraw/zinc/67/70/86/794677086.db2.gz DZOBMUGAYKKJQS-OLMNPRSZSA-N 1 2 346.858 2.307 20 30 EEEDLO Cc1cc(N2CCN(C(=O)C#CC(C)(C)C)CC2)nc(C2CC2)[nH+]1 ZINC001093152646 794732081 /nfs/dbraw/zinc/73/20/81/794732081.db2.gz OZMQBGCSKHKVLJ-UHFFFAOYSA-N 1 2 326.444 2.361 20 30 EEEDLO C=CCCC(=O)N(CC)C1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001079474011 794811597 /nfs/dbraw/zinc/81/15/97/794811597.db2.gz JCTKDSNMIMIUDV-KRWDZBQOSA-N 1 2 346.475 2.496 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001079588941 794974233 /nfs/dbraw/zinc/97/42/33/794974233.db2.gz QKRDCVMSYVSBNS-IUODEOHRSA-N 1 2 341.415 2.248 20 30 EEEDLO CC(C)c1ocnc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001079588941 794974238 /nfs/dbraw/zinc/97/42/38/794974238.db2.gz QKRDCVMSYVSBNS-IUODEOHRSA-N 1 2 341.415 2.248 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)oc2C)C[C@H]1C ZINC001079721066 795134916 /nfs/dbraw/zinc/13/49/16/795134916.db2.gz JPWXHSIJIHZAQX-YMCQQKJTSA-N 1 2 347.459 2.209 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2nc(C)oc2C)C[C@H]1C ZINC001079721066 795134919 /nfs/dbraw/zinc/13/49/19/795134919.db2.gz JPWXHSIJIHZAQX-YMCQQKJTSA-N 1 2 347.459 2.209 20 30 EEEDLO CC#CCCCC(=O)N1CC(N(CC)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001079791889 795199932 /nfs/dbraw/zinc/19/99/32/795199932.db2.gz TUWIWYKNFUQZRL-INIZCTEOSA-N 1 2 344.459 2.087 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn3c(n2)CC[C@@H](C)C3)C1 ZINC001079957285 795403620 /nfs/dbraw/zinc/40/36/20/795403620.db2.gz UUKXETAIFJOBBX-YRGRVCCFSA-N 1 2 336.867 2.268 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn3c(n2)CC[C@@H](C)C3)C1 ZINC001079957285 795403624 /nfs/dbraw/zinc/40/36/24/795403624.db2.gz UUKXETAIFJOBBX-YRGRVCCFSA-N 1 2 336.867 2.268 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CC[C@H]3CC[C@H](C)O3)CC2)C1 ZINC001093599157 795440219 /nfs/dbraw/zinc/44/02/19/795440219.db2.gz RCXSFOJOVDOVIB-JKSUJKDBSA-N 1 2 336.476 2.212 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC(N(CC)C(=O)CCCn2cc[nH+]c2)C1 ZINC001080027252 795504151 /nfs/dbraw/zinc/50/41/51/795504151.db2.gz YOQXRLMPTILIEQ-HOTGVXAUSA-N 1 2 346.475 2.181 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@@H](CC)C1 ZINC001110031123 806428979 /nfs/dbraw/zinc/42/89/79/806428979.db2.gz CVDDZEJLIACHTD-HOTGVXAUSA-N 1 2 332.448 2.417 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC001080185843 795686883 /nfs/dbraw/zinc/68/68/83/795686883.db2.gz OOIMNQFIKIMDQG-QMTHXVAHSA-N 1 2 334.807 2.472 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC001080185843 795686885 /nfs/dbraw/zinc/68/68/85/795686885.db2.gz OOIMNQFIKIMDQG-QMTHXVAHSA-N 1 2 334.807 2.472 20 30 EEEDLO C[C@H](CCNc1ncccc1C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC001106493323 795702507 /nfs/dbraw/zinc/70/25/07/795702507.db2.gz FLSDQDXCSVNTFL-CYBMUJFWSA-N 1 2 334.383 2.221 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CCNc1[nH+]cnc2c1cnn2C ZINC001106537773 795790602 /nfs/dbraw/zinc/79/06/02/795790602.db2.gz QITMIVVBZIXSPR-OLZOCXBDSA-N 1 2 330.436 2.272 20 30 EEEDLO C[C@@H](CCNc1ccc(C#N)cn1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001106593811 795919047 /nfs/dbraw/zinc/91/90/47/795919047.db2.gz UZANFVMGVRPWGN-KBPBESRZSA-N 1 2 326.404 2.108 20 30 EEEDLO C=CCCC1(C(=O)N(CC)C2CN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001080463678 796034531 /nfs/dbraw/zinc/03/45/31/796034531.db2.gz GWBQQWKUXVZEBA-UHFFFAOYSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC4CCC3CC4)nn2)C1 ZINC001094339799 796114169 /nfs/dbraw/zinc/11/41/69/796114169.db2.gz YMXCLNBVBDQGBX-JTTJXQCZSA-N 1 2 343.475 2.153 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cncnc2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993239076 796145403 /nfs/dbraw/zinc/14/54/03/796145403.db2.gz BIBVPKCQVPARGQ-RDTXWAMCSA-N 1 2 335.411 2.131 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cncnc2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993239076 796145405 /nfs/dbraw/zinc/14/54/05/796145405.db2.gz BIBVPKCQVPARGQ-RDTXWAMCSA-N 1 2 335.411 2.131 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)on2)C[C@H]1C ZINC001080582637 796214904 /nfs/dbraw/zinc/21/49/04/796214904.db2.gz TVZTZZYYEOLHPS-RNJTYBCJSA-N 1 2 347.459 2.291 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)on2)C[C@H]1C ZINC001080582637 796214909 /nfs/dbraw/zinc/21/49/09/796214909.db2.gz TVZTZZYYEOLHPS-RNJTYBCJSA-N 1 2 347.459 2.291 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](CCCC)C(C)C)C2)nn1 ZINC001098790109 796328134 /nfs/dbraw/zinc/32/81/34/796328134.db2.gz OMEKZVUNAVIELD-ZWKOTPCHSA-N 1 2 345.491 2.237 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001060977951 796347898 /nfs/dbraw/zinc/34/78/98/796347898.db2.gz ULEFMGWHTZXMRC-FZKQIMNGSA-N 1 2 342.447 2.226 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3CC(C)(C)C)CC2=O)C1 ZINC001094738881 796555200 /nfs/dbraw/zinc/55/52/00/796555200.db2.gz PIEGWCDJYSMHIL-YQQAZPJKSA-N 1 2 347.503 2.036 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)C3(C)C(C)(C)C3(C)C)CC2=O)C1 ZINC001094820285 796621239 /nfs/dbraw/zinc/62/12/39/796621239.db2.gz HBJPBVCTUKQTKZ-AWEZNQCLSA-N 1 2 347.503 2.036 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(N(C)C)nc2)[C@@H]1C ZINC000993513003 796801215 /nfs/dbraw/zinc/80/12/15/796801215.db2.gz BLQXEOFFTHPTPQ-DZGCQCFKSA-N 1 2 336.867 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N(C)C)nc2)[C@@H]1C ZINC000993513003 796801219 /nfs/dbraw/zinc/80/12/19/796801219.db2.gz BLQXEOFFTHPTPQ-DZGCQCFKSA-N 1 2 336.867 2.483 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(N(C)C)nc2)[C@@H]1C ZINC000993513008 796801323 /nfs/dbraw/zinc/80/13/23/796801323.db2.gz BLQXEOFFTHPTPQ-ZFWWWQNUSA-N 1 2 336.867 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(N(C)C)nc2)[C@@H]1C ZINC000993513008 796801324 /nfs/dbraw/zinc/80/13/24/796801324.db2.gz BLQXEOFFTHPTPQ-ZFWWWQNUSA-N 1 2 336.867 2.483 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cncn2C)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993563324 796823222 /nfs/dbraw/zinc/82/32/22/796823222.db2.gz DDAHSAJSISBRHF-PBHICJAKSA-N 1 2 337.427 2.075 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cncn2C)CCC[N@H+]1Cc1ccccc1C#N ZINC000993563324 796823226 /nfs/dbraw/zinc/82/32/26/796823226.db2.gz DDAHSAJSISBRHF-PBHICJAKSA-N 1 2 337.427 2.075 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ncccc2OC)[C@@H]1C ZINC000993703719 796956896 /nfs/dbraw/zinc/95/68/96/796956896.db2.gz NNLCTGSCIZBKDD-KBPBESRZSA-N 1 2 337.851 2.354 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ncccc2OC)[C@@H]1C ZINC000993703719 796956904 /nfs/dbraw/zinc/95/69/04/796956904.db2.gz NNLCTGSCIZBKDD-KBPBESRZSA-N 1 2 337.851 2.354 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccns3)[C@@H]2C)c1 ZINC000993774746 797013397 /nfs/dbraw/zinc/01/33/97/797013397.db2.gz UBMLHQNQQXWHMF-CXAGYDPISA-N 1 2 340.452 2.302 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccns3)[C@@H]2C)c1 ZINC000993774746 797013402 /nfs/dbraw/zinc/01/34/02/797013402.db2.gz UBMLHQNQQXWHMF-CXAGYDPISA-N 1 2 340.452 2.302 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172982497 797180820 /nfs/dbraw/zinc/18/08/20/797180820.db2.gz AHLNSXFOHCASSF-HOTGVXAUSA-N 1 2 334.464 2.082 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2ccncn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000994056234 797266394 /nfs/dbraw/zinc/26/63/94/797266394.db2.gz ZDZUONYVXVWHND-WMLDXEAASA-N 1 2 335.411 2.131 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2ccncn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000994056234 797266398 /nfs/dbraw/zinc/26/63/98/797266398.db2.gz ZDZUONYVXVWHND-WMLDXEAASA-N 1 2 335.411 2.131 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001082234406 797334070 /nfs/dbraw/zinc/33/40/70/797334070.db2.gz MATOZUKHVHVDAE-CVEARBPZSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001082236222 797337127 /nfs/dbraw/zinc/33/71/27/797337127.db2.gz YMTMSNXBGGONHF-GJZGRUSLSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCC(CC=C)C(=O)NC[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001082251436 797370824 /nfs/dbraw/zinc/37/08/24/797370824.db2.gz OFTXDBIMTQVYJB-INIZCTEOSA-N 1 2 344.459 2.218 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095123925 797395003 /nfs/dbraw/zinc/39/50/03/797395003.db2.gz MQRZRLJVBGYBMO-GDBMZVCRSA-N 1 2 344.459 2.291 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)Cc3cccs3)c2C1 ZINC001128159892 797410597 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ZINC001066225874 800212686 /nfs/dbraw/zinc/21/26/86/800212686.db2.gz LRXUKJXAUCMEQX-HNNXBMFYSA-N 1 2 332.448 2.114 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)on1 ZINC001032903647 800327003 /nfs/dbraw/zinc/32/70/03/800327003.db2.gz LWZSSQZMJDUBJI-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)on1 ZINC001032903647 800327009 /nfs/dbraw/zinc/32/70/09/800327009.db2.gz LWZSSQZMJDUBJI-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001032986699 800684194 /nfs/dbraw/zinc/68/41/94/800684194.db2.gz OIIRHUUUJICFHM-TZMCWYRMSA-N 1 2 327.388 2.090 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+]2CC[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001032986699 800684200 /nfs/dbraw/zinc/68/42/00/800684200.db2.gz OIIRHUUUJICFHM-TZMCWYRMSA-N 1 2 327.388 2.090 20 30 EEEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001033021919 800864131 /nfs/dbraw/zinc/86/41/31/800864131.db2.gz KBNIMOMHSSVDST-CQSZACIVSA-N 1 2 343.818 2.281 20 30 EEEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001033021919 800864134 /nfs/dbraw/zinc/86/41/34/800864134.db2.gz KBNIMOMHSSVDST-CQSZACIVSA-N 1 2 343.818 2.281 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001033023381 800884382 /nfs/dbraw/zinc/88/43/82/800884382.db2.gz PBOTXWJAKIBKMY-DOMZBBRYSA-N 1 2 327.388 2.090 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+]2CC[C@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001033023381 800884388 /nfs/dbraw/zinc/88/43/88/800884388.db2.gz PBOTXWJAKIBKMY-DOMZBBRYSA-N 1 2 327.388 2.090 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccnc1N(C)C)C2 ZINC001098390261 800963821 /nfs/dbraw/zinc/96/38/21/800963821.db2.gz RXTUYUQKXMDFTQ-YUELXQCFSA-N 1 2 334.851 2.235 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccnc1N(C)C)C2 ZINC001098390261 800963826 /nfs/dbraw/zinc/96/38/26/800963826.db2.gz RXTUYUQKXMDFTQ-YUELXQCFSA-N 1 2 334.851 2.235 20 30 EEEDLO COC1CC(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(F)c(C#N)c2)C1 ZINC001085659722 800998790 /nfs/dbraw/zinc/99/87/90/800998790.db2.gz BDKRIBGUPNPIGB-ARWYELJZSA-N 1 2 345.418 2.155 20 30 EEEDLO COC1CC(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(F)c(C#N)c2)C1 ZINC001085659722 800998794 /nfs/dbraw/zinc/99/87/94/800998794.db2.gz BDKRIBGUPNPIGB-ARWYELJZSA-N 1 2 345.418 2.155 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001108209154 801277421 /nfs/dbraw/zinc/27/74/21/801277421.db2.gz JPCPRLIEUKXNQU-HOCLYGCPSA-N 1 2 328.403 2.042 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001108209154 801277422 /nfs/dbraw/zinc/27/74/22/801277422.db2.gz JPCPRLIEUKXNQU-HOCLYGCPSA-N 1 2 328.403 2.042 20 30 EEEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2c(C)nnn2CC)CC1 ZINC001085798680 801292440 /nfs/dbraw/zinc/29/24/40/801292440.db2.gz YTLCFNICNVMZGL-KRWDZBQOSA-N 1 2 345.491 2.386 20 30 EEEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2c(C)nnn2CC)CC1 ZINC001085798680 801292443 /nfs/dbraw/zinc/29/24/43/801292443.db2.gz YTLCFNICNVMZGL-KRWDZBQOSA-N 1 2 345.491 2.386 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C2CC2)no1 ZINC001085827311 801369753 /nfs/dbraw/zinc/36/97/53/801369753.db2.gz OGYDWSJLKCWFSK-LESCRADOSA-N 1 2 345.443 2.176 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C2CC2)no1 ZINC001085827311 801369763 /nfs/dbraw/zinc/36/97/63/801369763.db2.gz OGYDWSJLKCWFSK-LESCRADOSA-N 1 2 345.443 2.176 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085823878 801375454 /nfs/dbraw/zinc/37/54/54/801375454.db2.gz UBSUALNWGAILJI-XKQJLSEDSA-N 1 2 345.468 2.244 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085823878 801375462 /nfs/dbraw/zinc/37/54/62/801375462.db2.gz UBSUALNWGAILJI-XKQJLSEDSA-N 1 2 345.468 2.244 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nnc([C@H]3CCCOC3)o2)C1 ZINC001182940148 801418260 /nfs/dbraw/zinc/41/82/60/801418260.db2.gz HZYPXOGQWCGOHY-LSDHHAIUSA-N 1 2 348.447 2.010 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1)C(=O)c1nccs1 ZINC001085889801 801556794 /nfs/dbraw/zinc/55/67/94/801556794.db2.gz IQWJVSVTKXBJNR-OAHLLOKOSA-N 1 2 326.425 2.361 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)c1nccs1 ZINC001085889801 801556801 /nfs/dbraw/zinc/55/68/01/801556801.db2.gz IQWJVSVTKXBJNR-OAHLLOKOSA-N 1 2 326.425 2.361 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2ccc3cnccc3c2)C1 ZINC001108069021 801599375 /nfs/dbraw/zinc/59/93/75/801599375.db2.gz XWRJUGIMOBHANP-HXUWFJFHSA-N 1 2 339.439 2.170 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2ccc3cnccc3c2)C1 ZINC001108069021 801599382 /nfs/dbraw/zinc/59/93/82/801599382.db2.gz XWRJUGIMOBHANP-HXUWFJFHSA-N 1 2 339.439 2.170 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001066348468 801741233 /nfs/dbraw/zinc/74/12/33/801741233.db2.gz WOIANDSVBMBPAX-INIZCTEOSA-N 1 2 332.448 2.127 20 30 EEEDLO C[C@@H]1COCC[C@@H]1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183839999 801767816 /nfs/dbraw/zinc/76/78/16/801767816.db2.gz BNVVYLHEXKJJCW-MNEFBYGVSA-N 1 2 341.455 2.454 20 30 EEEDLO C[C@@H]1COCC[C@@H]1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183839999 801767821 /nfs/dbraw/zinc/76/78/21/801767821.db2.gz BNVVYLHEXKJJCW-MNEFBYGVSA-N 1 2 341.455 2.454 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c3c(nn2C)CCCC3)C1 ZINC001033116891 802055559 /nfs/dbraw/zinc/05/55/59/802055559.db2.gz JXZANEVZLGOSHH-CYBMUJFWSA-N 1 2 336.867 2.198 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c3c(nn2C)CCCC3)C1 ZINC001033116891 802055565 /nfs/dbraw/zinc/05/55/65/802055565.db2.gz JXZANEVZLGOSHH-CYBMUJFWSA-N 1 2 336.867 2.198 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001066377070 802075586 /nfs/dbraw/zinc/07/55/86/802075586.db2.gz SEGABPQFUTXGCN-OAHLLOKOSA-N 1 2 346.475 2.062 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ncc3ccccn32)CC1 ZINC001004485684 802188391 /nfs/dbraw/zinc/18/83/91/802188391.db2.gz RHTVLLLKRWNLTF-KRWDZBQOSA-N 1 2 337.427 2.174 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ncc3ccccn32)CC1 ZINC001004485684 802188397 /nfs/dbraw/zinc/18/83/97/802188397.db2.gz RHTVLLLKRWNLTF-KRWDZBQOSA-N 1 2 337.427 2.174 20 30 EEEDLO CCc1cccnc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004483966 802207906 /nfs/dbraw/zinc/20/79/06/802207906.db2.gz WKQQOHYTDDJQBT-KRWDZBQOSA-N 1 2 326.444 2.484 20 30 EEEDLO CCc1cccnc1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004483966 802207914 /nfs/dbraw/zinc/20/79/14/802207914.db2.gz WKQQOHYTDDJQBT-KRWDZBQOSA-N 1 2 326.444 2.484 20 30 EEEDLO C#CCCCCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(C(C)C)no2)C1 ZINC001184890817 802230502 /nfs/dbraw/zinc/23/05/02/802230502.db2.gz YMTMHHZPCBWHTL-OAHLLOKOSA-N 1 2 332.448 2.467 20 30 EEEDLO CN(C(=O)c1ccns1)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033131729 802230837 /nfs/dbraw/zinc/23/08/37/802230837.db2.gz WVCIRMFALFZBFL-LLVKDONJSA-N 1 2 332.454 2.423 20 30 EEEDLO CN(C(=O)c1ccns1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033131729 802230843 /nfs/dbraw/zinc/23/08/43/802230843.db2.gz WVCIRMFALFZBFL-LLVKDONJSA-N 1 2 332.454 2.423 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC001004547247 802347132 /nfs/dbraw/zinc/34/71/32/802347132.db2.gz NALAFBRPFOPIQU-OTWHNJEPSA-N 1 2 338.455 2.412 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC001004547247 802347138 /nfs/dbraw/zinc/34/71/38/802347138.db2.gz NALAFBRPFOPIQU-OTWHNJEPSA-N 1 2 338.455 2.412 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cnn(CC3CC3)c2)CC1 ZINC001004595441 802447889 /nfs/dbraw/zinc/44/78/89/802447889.db2.gz HMDXKBJIUFQQBA-SFHVURJKSA-N 1 2 341.459 2.133 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cnn(CC3CC3)c2)CC1 ZINC001004595441 802447892 /nfs/dbraw/zinc/44/78/92/802447892.db2.gz HMDXKBJIUFQQBA-SFHVURJKSA-N 1 2 341.459 2.133 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001066443310 802500098 /nfs/dbraw/zinc/50/00/98/802500098.db2.gz NLBHICMESFAUNJ-HUUCEWRRSA-N 1 2 332.448 2.052 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2CC[NH+](Cc3ncc(C)o3)CC2)nc1 ZINC001006302561 802878455 /nfs/dbraw/zinc/87/84/55/802878455.db2.gz JJHXQQDGIUPZBR-UHFFFAOYSA-N 1 2 338.411 2.096 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC001108275387 802952406 /nfs/dbraw/zinc/95/24/06/802952406.db2.gz BWZSADIUKZUUEX-WSTZPKSXSA-N 1 2 344.455 2.157 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC001108275387 802952413 /nfs/dbraw/zinc/95/24/13/802952413.db2.gz BWZSADIUKZUUEX-WSTZPKSXSA-N 1 2 344.455 2.157 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001033189523 803018987 /nfs/dbraw/zinc/01/89/87/803018987.db2.gz AMTGITXFXRCEKU-HNNXBMFYSA-N 1 2 349.862 2.414 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001033189523 803018994 /nfs/dbraw/zinc/01/89/94/803018994.db2.gz AMTGITXFXRCEKU-HNNXBMFYSA-N 1 2 349.862 2.414 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCc2nc3ccccc3o2)C1 ZINC001108391217 803420911 /nfs/dbraw/zinc/42/09/11/803420911.db2.gz SCJZVJGACFDFOX-IBGZPJMESA-N 1 2 343.427 2.154 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCc2nc3ccccc3o2)C1 ZINC001108391217 803420913 /nfs/dbraw/zinc/42/09/13/803420913.db2.gz SCJZVJGACFDFOX-IBGZPJMESA-N 1 2 343.427 2.154 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccc3c2CCC3)C1 ZINC001108434684 803566319 /nfs/dbraw/zinc/56/63/19/803566319.db2.gz VFHSAKSURXBHCE-FQEVSTJZSA-N 1 2 326.440 2.019 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccc3c2CCC3)C1 ZINC001108434684 803566323 /nfs/dbraw/zinc/56/63/23/803566323.db2.gz VFHSAKSURXBHCE-FQEVSTJZSA-N 1 2 326.440 2.019 20 30 EEEDLO C[C@@H](CNc1ccc(C#N)nc1)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001108500937 803825770 /nfs/dbraw/zinc/82/57/70/803825770.db2.gz IQCLYSYAQVWNGD-AWEZNQCLSA-N 1 2 346.394 2.369 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H](CC)CCCCC)CC2=O)C1 ZINC001108591792 804263215 /nfs/dbraw/zinc/26/32/15/804263215.db2.gz FLGMEDBYMXXXAJ-CVEARBPZSA-N 1 2 335.492 2.180 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)s1)C2 ZINC001108871794 804631347 /nfs/dbraw/zinc/63/13/47/804631347.db2.gz NFEJMDUYUOZANT-KBXIAJHMSA-N 1 2 347.484 2.082 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)s1)C2 ZINC001108871794 804631352 /nfs/dbraw/zinc/63/13/52/804631352.db2.gz NFEJMDUYUOZANT-KBXIAJHMSA-N 1 2 347.484 2.082 20 30 EEEDLO C[C@H](CN(C)c1cccc(F)c1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001109293318 805255842 /nfs/dbraw/zinc/25/58/42/805255842.db2.gz DORGKHHSQCTMMD-JHJVBQTASA-N 1 2 341.390 2.165 20 30 EEEDLO C[C@H](CN(C)c1cccc(F)c1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001109293318 805255849 /nfs/dbraw/zinc/25/58/49/805255849.db2.gz DORGKHHSQCTMMD-JHJVBQTASA-N 1 2 341.390 2.165 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1O ZINC001112753795 807147509 /nfs/dbraw/zinc/14/75/09/807147509.db2.gz YJWUSTQLBWLNDE-HUUCEWRRSA-N 1 2 346.475 2.034 20 30 EEEDLO C#CCn1cc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)cn1 ZINC000787885389 807282087 /nfs/dbraw/zinc/28/20/87/807282087.db2.gz ACWJNHKJSKBTCT-UHFFFAOYSA-N 1 2 329.367 2.257 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC001112814306 807329184 /nfs/dbraw/zinc/32/91/84/807329184.db2.gz NAYJGPZVDBFFFO-HKUYNNGSSA-N 1 2 332.419 2.284 20 30 EEEDLO CCc1cccc(OCC[NH+]2CCN(C(=O)C#CC(C)C)CC2)c1 ZINC001112834267 807368424 /nfs/dbraw/zinc/36/84/24/807368424.db2.gz GCSDSQBRMHIQBQ-UHFFFAOYSA-N 1 2 328.456 2.431 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](CC)OC2CCCCC2)CC1 ZINC001112849612 807427267 /nfs/dbraw/zinc/42/72/67/807427267.db2.gz AKLMRDAMUNOGGS-GOSISDBHSA-N 1 2 338.492 2.461 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](C)OCc2ccc(C)cc2)CC1 ZINC001113167273 808327656 /nfs/dbraw/zinc/32/76/56/808327656.db2.gz GRUVMZXTNNGMOZ-GOSISDBHSA-N 1 2 346.471 2.247 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](CCOC[C@@H]2CCCCO2)CC1 ZINC001113244424 808552553 /nfs/dbraw/zinc/55/25/53/808552553.db2.gz ZOYZSDQCJURMKY-MSOLQXFVSA-N 1 2 338.492 2.319 20 30 EEEDLO CC(=NNc1[nH+]ccn1C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000790299962 808595674 /nfs/dbraw/zinc/59/56/74/808595674.db2.gz MWAUYIKPJOVHGQ-UHFFFAOYSA-N 1 2 328.344 2.253 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](C)Nc2[nH+]cnc3c2cnn3C)C1 ZINC001113287339 808652861 /nfs/dbraw/zinc/65/28/61/808652861.db2.gz XJHSACSFELKJRG-NEPJUHHUSA-N 1 2 328.420 2.025 20 30 EEEDLO C=CCCOCCCCC(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113717781 809635607 /nfs/dbraw/zinc/63/56/07/809635607.db2.gz IQSMTZGACXIRGZ-HNNXBMFYSA-N 1 2 334.464 2.489 20 30 EEEDLO Cc1nc(N[C@H](CCN(C)C(=O)CSCC#N)C(C)C)cc[nH+]1 ZINC001114068742 810300565 /nfs/dbraw/zinc/30/05/65/810300565.db2.gz WPPAENMLTWAHRL-CQSZACIVSA-N 1 2 335.477 2.327 20 30 EEEDLO C=CCOCC(=O)N1CCC(n2ncc3c2C[N@H+](CC(C)C)C3)CC1 ZINC001130164803 811239073 /nfs/dbraw/zinc/23/90/73/811239073.db2.gz TXLOPMQPDYDFSL-UHFFFAOYSA-N 1 2 346.475 2.221 20 30 EEEDLO C=CCOCC(=O)N1CCC(n2ncc3c2C[N@@H+](CC(C)C)C3)CC1 ZINC001130164803 811239079 /nfs/dbraw/zinc/23/90/79/811239079.db2.gz TXLOPMQPDYDFSL-UHFFFAOYSA-N 1 2 346.475 2.221 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CCCOCC)C[C@@H](C)O2 ZINC001131638054 813055941 /nfs/dbraw/zinc/05/59/41/813055941.db2.gz GDRZMLZELHXTQZ-NVXWUHKLSA-N 1 2 344.883 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCCOCC)C[C@@H](C)O2 ZINC001131638054 813055950 /nfs/dbraw/zinc/05/59/50/813055950.db2.gz GDRZMLZELHXTQZ-NVXWUHKLSA-N 1 2 344.883 2.247 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)O[C@]2(CC[N@@H+](Cc3nccn3CC)C2)C1 ZINC001131646048 813070840 /nfs/dbraw/zinc/07/08/40/813070840.db2.gz OZCWFSHGJNVILJ-LPHOPBHVSA-N 1 2 346.475 2.061 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)O[C@]2(CC[N@H+](Cc3nccn3CC)C2)C1 ZINC001131646048 813070845 /nfs/dbraw/zinc/07/08/45/813070845.db2.gz OZCWFSHGJNVILJ-LPHOPBHVSA-N 1 2 346.475 2.061 20 30 EEEDLO C[N@H+](CCNC(=O)[C@@]1(C)CCCOC1)Cc1cc(C#N)ccc1F ZINC001437542466 1089993399 /nfs/dbraw/zinc/99/33/99/1089993399.db2.gz UHVNXAFWEQWEFK-SFHVURJKSA-N 1 2 333.407 2.062 20 30 EEEDLO C[N@@H+](CCNC(=O)[C@@]1(C)CCCOC1)Cc1cc(C#N)ccc1F ZINC001437542466 1089993409 /nfs/dbraw/zinc/99/34/09/1089993409.db2.gz UHVNXAFWEQWEFK-SFHVURJKSA-N 1 2 333.407 2.062 20 30 EEEDLO CCCc1nc(C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)co1 ZINC001437542340 1089994653 /nfs/dbraw/zinc/99/46/53/1089994653.db2.gz JFZKFHOFNWLERZ-UHFFFAOYSA-N 1 2 344.390 2.500 20 30 EEEDLO CCCc1nc(C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)co1 ZINC001437542340 1089994662 /nfs/dbraw/zinc/99/46/62/1089994662.db2.gz JFZKFHOFNWLERZ-UHFFFAOYSA-N 1 2 344.390 2.500 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCc2cn(C)nc2C)[C@@H]1C ZINC001449040618 1094054733 /nfs/dbraw/zinc/05/47/33/1094054733.db2.gz BXPNUSIWPAKMHS-HOCLYGCPSA-N 1 2 338.883 2.383 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCc2cn(C)nc2C)[C@@H]1C ZINC001449040618 1094054739 /nfs/dbraw/zinc/05/47/39/1094054739.db2.gz BXPNUSIWPAKMHS-HOCLYGCPSA-N 1 2 338.883 2.383 20 30 EEEDLO COCC[N@H+](CCNC(=O)C(C)(C)C)Cc1ccc(C#N)cc1F ZINC001442182532 1096450762 /nfs/dbraw/zinc/45/07/62/1096450762.db2.gz IJOBOAVCTKRMRO-UHFFFAOYSA-N 1 2 335.423 2.308 20 30 EEEDLO COCC[N@@H+](CCNC(=O)C(C)(C)C)Cc1ccc(C#N)cc1F ZINC001442182532 1096450766 /nfs/dbraw/zinc/45/07/66/1096450766.db2.gz IJOBOAVCTKRMRO-UHFFFAOYSA-N 1 2 335.423 2.308 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnn(-c2ccccc2)n1 ZINC001442748698 1097124585 /nfs/dbraw/zinc/12/45/85/1097124585.db2.gz ZIPMUSXEJAHJFH-UHFFFAOYSA-N 1 2 333.823 2.072 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnn(-c2ccccc2)n1 ZINC001442748698 1097124586 /nfs/dbraw/zinc/12/45/86/1097124586.db2.gz ZIPMUSXEJAHJFH-UHFFFAOYSA-N 1 2 333.823 2.072 20 30 EEEDLO Cc1nc(C)c(C(=O)NCC[N@H+](Cc2ccccc2C#N)C2CC2)[nH]1 ZINC001443028368 1097435865 /nfs/dbraw/zinc/43/58/65/1097435865.db2.gz SMFNODNFNNLYNG-UHFFFAOYSA-N 1 2 337.427 2.293 20 30 EEEDLO Cc1nc(C)c(C(=O)NCC[N@@H+](Cc2ccccc2C#N)C2CC2)[nH]1 ZINC001443028368 1097435869 /nfs/dbraw/zinc/43/58/69/1097435869.db2.gz SMFNODNFNNLYNG-UHFFFAOYSA-N 1 2 337.427 2.293 20 30 EEEDLO CN(CC[NH+]1CCN(Cc2ccccc2C#N)CC1)C(=O)C(C)(C)C ZINC001443292782 1097776921 /nfs/dbraw/zinc/77/69/21/1097776921.db2.gz BDGANPKWMJUWFN-UHFFFAOYSA-N 1 2 342.487 2.180 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)Cc2ccc(C(N)=O)cc2)C1 ZINC001443876113 1098401514 /nfs/dbraw/zinc/40/15/14/1098401514.db2.gz IUNHLCMMILKDHP-MRXNPFEDSA-N 1 2 349.862 2.003 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2ccc(C(N)=O)cc2)C1 ZINC001443876113 1098401518 /nfs/dbraw/zinc/40/15/18/1098401518.db2.gz IUNHLCMMILKDHP-MRXNPFEDSA-N 1 2 349.862 2.003 20 30 EEEDLO C[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)c1n[nH]c2ccccc21 ZINC001497976420 1103442066 /nfs/dbraw/zinc/44/20/66/1103442066.db2.gz ODLJNAAGFJQNJM-CYBMUJFWSA-N 1 2 333.395 2.343 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001520325797 1119146315 /nfs/dbraw/zinc/14/63/15/1119146315.db2.gz MMUHZBZNJCQWGO-IAGOWNOFSA-N 1 2 345.491 2.313 20 30 EEEDLO C=CC[C@@H]1CCCN(c2nnc(Cc3[nH+]ccn3C)n2CCOC)C1 ZINC001523639829 1119821693 /nfs/dbraw/zinc/82/16/93/1119821693.db2.gz CEPTXIQBYKSURM-OAHLLOKOSA-N 1 2 344.463 2.041 20 30 EEEDLO C=CC[N@@H+](Cc1cc(=O)oc2cc(C)ccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000066559733 215053774 /nfs/dbraw/zinc/05/37/74/215053774.db2.gz KIKMXMAILIZZCE-OAHLLOKOSA-N 1 2 347.436 2.277 20 30 EEEDLO C=CC[N@H+](Cc1cc(=O)oc2cc(C)ccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000066559733 215053776 /nfs/dbraw/zinc/05/37/76/215053776.db2.gz KIKMXMAILIZZCE-OAHLLOKOSA-N 1 2 347.436 2.277 20 30 EEEDLO C[C@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)c2ccccc2O1 ZINC000329484875 539774636 /nfs/dbraw/zinc/77/46/36/539774636.db2.gz SLOOYKTVOFSKQE-HNNXBMFYSA-N 1 2 347.459 2.341 20 30 EEEDLO C[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C[C@]2(CCOC2)O1 ZINC000330071741 539787481 /nfs/dbraw/zinc/78/74/81/539787481.db2.gz JDXFFEKLCIIAAB-OGWOLHLISA-N 1 2 346.427 2.347 20 30 EEEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C[C@]2(CCOC2)O1 ZINC000330071741 539787485 /nfs/dbraw/zinc/78/74/85/539787485.db2.gz JDXFFEKLCIIAAB-OGWOLHLISA-N 1 2 346.427 2.347 20 30 EEEDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000072989932 216337872 /nfs/dbraw/zinc/33/78/72/216337872.db2.gz BFPDLJOISZXNAL-UHFFFAOYSA-N 1 2 341.864 2.174 20 30 EEEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000446700387 242212663 /nfs/dbraw/zinc/21/26/63/242212663.db2.gz GPYPBOQDHBKHQR-UHFFFAOYSA-N 1 2 349.325 2.460 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cccc(CC#N)c1 ZINC000455900595 244104594 /nfs/dbraw/zinc/10/45/94/244104594.db2.gz CHFAPZPMHNIBMX-PBHICJAKSA-N 1 2 328.416 2.080 20 30 EEEDLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000078649653 217094698 /nfs/dbraw/zinc/09/46/98/217094698.db2.gz VZAAHPIBSOJFRQ-CYBMUJFWSA-N 1 2 349.456 2.450 20 30 EEEDLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000078649653 217094702 /nfs/dbraw/zinc/09/47/02/217094702.db2.gz VZAAHPIBSOJFRQ-CYBMUJFWSA-N 1 2 349.456 2.450 20 30 EEEDLO CCn1cc[nH+]c1/C=C\C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000492312518 246395169 /nfs/dbraw/zinc/39/51/69/246395169.db2.gz LSYIZDNTBHWGPM-GIFJBRJJSA-N 1 2 349.438 2.153 20 30 EEEDLO C#CCCOc1ccc(C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000093392572 218220670 /nfs/dbraw/zinc/22/06/70/218220670.db2.gz KRWKKMGAVWOFAD-OAHLLOKOSA-N 1 2 335.469 2.486 20 30 EEEDLO C#CCCOc1ccc(C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000093392572 218220672 /nfs/dbraw/zinc/22/06/72/218220672.db2.gz KRWKKMGAVWOFAD-OAHLLOKOSA-N 1 2 335.469 2.486 20 30 EEEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)[nH]1 ZINC000268535998 252003816 /nfs/dbraw/zinc/00/38/16/252003816.db2.gz ZVFFUUIDPLTUIP-DOMZBBRYSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1nnc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)[nH]1 ZINC000268535998 252003818 /nfs/dbraw/zinc/00/38/18/252003818.db2.gz ZVFFUUIDPLTUIP-DOMZBBRYSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000268535998 252003821 /nfs/dbraw/zinc/00/38/21/252003821.db2.gz ZVFFUUIDPLTUIP-DOMZBBRYSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000268535998 252003823 /nfs/dbraw/zinc/00/38/23/252003823.db2.gz ZVFFUUIDPLTUIP-DOMZBBRYSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1nc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)n[nH]1 ZINC000268535998 252003827 /nfs/dbraw/zinc/00/38/27/252003827.db2.gz ZVFFUUIDPLTUIP-DOMZBBRYSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1nc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)n[nH]1 ZINC000268535998 252003828 /nfs/dbraw/zinc/00/38/28/252003828.db2.gz ZVFFUUIDPLTUIP-DOMZBBRYSA-N 1 2 338.415 2.191 20 30 EEEDLO N#Cc1ccc(F)c(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000174028926 255832991 /nfs/dbraw/zinc/83/29/91/255832991.db2.gz OXOWEQJBXASSQL-UHFFFAOYSA-N 1 2 339.374 2.124 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC[C@@H]3CCOC3)CC2)cc1 ZINC000267539804 256067185 /nfs/dbraw/zinc/06/71/85/256067185.db2.gz AUSGMWPNEALNGW-GOSISDBHSA-N 1 2 327.428 2.019 20 30 EEEDLO CCN(CC)C(=O)CN1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118532553 221154846 /nfs/dbraw/zinc/15/48/46/221154846.db2.gz KVCIIFQYGMHMMH-MRXNPFEDSA-N 1 2 328.460 2.105 20 30 EEEDLO CCN(CC)C(=O)C[NH+]1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118532553 221154848 /nfs/dbraw/zinc/15/48/48/221154848.db2.gz KVCIIFQYGMHMMH-MRXNPFEDSA-N 1 2 328.460 2.105 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)NCc2cccc(C)c2)cc1 ZINC000111176952 533420925 /nfs/dbraw/zinc/42/09/25/533420925.db2.gz IXRDJYWRZJHXAK-UHFFFAOYSA-N 1 2 341.411 2.151 20 30 EEEDLO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000072073617 159039673 /nfs/dbraw/zinc/03/96/73/159039673.db2.gz FYWASMKDVKNOBU-HNNXBMFYSA-N 1 2 328.460 2.374 20 30 EEEDLO COc1ccc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000081512271 159154095 /nfs/dbraw/zinc/15/40/95/159154095.db2.gz RBWNYRZPENUSCW-UHFFFAOYSA-N 1 2 344.436 2.473 20 30 EEEDLO COc1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000081512271 159154097 /nfs/dbraw/zinc/15/40/97/159154097.db2.gz RBWNYRZPENUSCW-UHFFFAOYSA-N 1 2 344.436 2.473 20 30 EEEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000343143930 161107892 /nfs/dbraw/zinc/10/78/92/161107892.db2.gz RVMBZMCCWIQKED-WMLDXEAASA-N 1 2 326.400 2.363 20 30 EEEDLO COc1cc(C#N)ccc1OCCCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000346400093 161369208 /nfs/dbraw/zinc/36/92/08/161369208.db2.gz PIOMFALNKVOAEM-UHFFFAOYSA-N 1 2 328.372 2.108 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NCc2cn3ccccc3[nH+]2)c(Cl)c1 ZINC000355629423 163254247 /nfs/dbraw/zinc/25/42/47/163254247.db2.gz GADFODPPHUDGND-UHFFFAOYSA-N 1 2 346.799 2.338 20 30 EEEDLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000171956586 227387624 /nfs/dbraw/zinc/38/76/24/227387624.db2.gz SNPAGVNEHLTFKV-CYBMUJFWSA-N 1 2 346.431 2.342 20 30 EEEDLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000171956586 227387629 /nfs/dbraw/zinc/38/76/29/227387629.db2.gz SNPAGVNEHLTFKV-CYBMUJFWSA-N 1 2 346.431 2.342 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000122207356 222037844 /nfs/dbraw/zinc/03/78/44/222037844.db2.gz MTIAHUKAPGXYAB-CYBMUJFWSA-N 1 2 336.374 2.070 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000122207356 222037847 /nfs/dbraw/zinc/03/78/47/222037847.db2.gz MTIAHUKAPGXYAB-CYBMUJFWSA-N 1 2 336.374 2.070 20 30 EEEDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2sccc2C#N)C[C@H](C)O1 ZINC000052050415 264005531 /nfs/dbraw/zinc/00/55/31/264005531.db2.gz YRCOVSKFDPDPJC-GUTXKFCHSA-N 1 2 333.457 2.334 20 30 EEEDLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2sccc2C#N)C[C@H](C)O1 ZINC000052050415 264005535 /nfs/dbraw/zinc/00/55/35/264005535.db2.gz YRCOVSKFDPDPJC-GUTXKFCHSA-N 1 2 333.457 2.334 20 30 EEEDLO CCC(=O)Nc1cccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000522378439 266992618 /nfs/dbraw/zinc/99/26/18/266992618.db2.gz ZKILNTSSSUYOKI-SFHVURJKSA-N 1 2 336.395 2.223 20 30 EEEDLO Cc1cc(C#N)cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000332615705 267304632 /nfs/dbraw/zinc/30/46/32/267304632.db2.gz BIPSVQVDVBSRJY-RHSMWYFYSA-N 1 2 328.416 2.194 20 30 EEEDLO N#Cc1ccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000299524323 268055850 /nfs/dbraw/zinc/05/58/50/268055850.db2.gz ATXUZVOWJGNADE-UHFFFAOYSA-N 1 2 344.418 2.317 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCO[C@@H]4CCC[C@@H]43)C2=O)cc1 ZINC000279052077 269258649 /nfs/dbraw/zinc/25/86/49/269258649.db2.gz AFWBPJGZDRLIFW-OKZBNKHCSA-N 1 2 325.412 2.307 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCO[C@@H]4CCC[C@@H]43)C2=O)cc1 ZINC000279052077 269258650 /nfs/dbraw/zinc/25/86/50/269258650.db2.gz AFWBPJGZDRLIFW-OKZBNKHCSA-N 1 2 325.412 2.307 20 30 EEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000265129851 278423782 /nfs/dbraw/zinc/42/37/82/278423782.db2.gz MSKDZPCLXNOTGJ-ZDUSSCGKSA-N 1 2 338.371 2.140 20 30 EEEDLO CN1C(=O)C[C@@H]([NH2+]Cc2ncc(C#N)cn2)[C@H]1c1ccc(Cl)cc1 ZINC000563875695 319051260 /nfs/dbraw/zinc/05/12/60/319051260.db2.gz HCZNYBAVXODOQR-RHSMWYFYSA-N 1 2 341.802 2.063 20 30 EEEDLO Cc1onc(CC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)c1C#N ZINC000580668645 324108039 /nfs/dbraw/zinc/10/80/39/324108039.db2.gz ABQFFYDBKBQHEQ-KRWDZBQOSA-N 1 2 335.367 2.037 20 30 EEEDLO C[C@H]1C[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)c2[nH+]ccn21 ZINC000581707878 324306114 /nfs/dbraw/zinc/30/61/14/324306114.db2.gz FXSJKDSILIZIJT-CABZTGNLSA-N 1 2 336.804 2.392 20 30 EEEDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)NC2(C#N)CCCCC2)o1 ZINC000184799523 465027243 /nfs/dbraw/zinc/02/72/43/465027243.db2.gz AWZWENKHWDQFCT-OAHLLOKOSA-N 1 2 333.432 2.462 20 30 EEEDLO Cc1ccc(N2CCC[C@@H](NC(=O)CCc3c[nH+]cn3C)C2)nn1 ZINC000328586512 465062214 /nfs/dbraw/zinc/06/22/14/465062214.db2.gz XCNSHZMXWRJIKL-CQSZACIVSA-N 1 2 328.420 2.077 20 30 EEEDLO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000328791615 465129613 /nfs/dbraw/zinc/12/96/13/465129613.db2.gz ZKDGKIFQZJNGBH-IMJJTQAJSA-N 1 2 330.432 2.461 20 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465175642 /nfs/dbraw/zinc/17/56/42/465175642.db2.gz DIERTGDKCFDMHN-UAGQMJEPSA-N 1 2 344.459 2.185 20 30 EEEDLO C=CCN1CC[C@H](N(C)C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1=O ZINC000337076208 465180348 /nfs/dbraw/zinc/18/03/48/465180348.db2.gz QRPXQRJBIQLKCJ-HOTGVXAUSA-N 1 2 349.862 2.188 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329063567 465221331 /nfs/dbraw/zinc/22/13/31/465221331.db2.gz KHHFXGDLOBVCSY-CRAIPNDOSA-N 1 2 335.448 2.439 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329063567 465221332 /nfs/dbraw/zinc/22/13/32/465221332.db2.gz KHHFXGDLOBVCSY-CRAIPNDOSA-N 1 2 335.448 2.439 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)C1=O ZINC000337169663 465225336 /nfs/dbraw/zinc/22/53/36/465225336.db2.gz DREJRCMDCHRXBA-CVEARBPZSA-N 1 2 347.846 2.164 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)C1=O ZINC000337169663 465225343 /nfs/dbraw/zinc/22/53/43/465225343.db2.gz DREJRCMDCHRXBA-CVEARBPZSA-N 1 2 347.846 2.164 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](CC)C(=O)Nc2ccc(OC)cc2)C1=O ZINC000337232040 465257771 /nfs/dbraw/zinc/25/77/71/465257771.db2.gz VCJFFXVYSCNKAQ-SJORKVTESA-N 1 2 345.443 2.131 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](CC)C(=O)Nc2ccc(OC)cc2)C1=O ZINC000337232040 465257774 /nfs/dbraw/zinc/25/77/74/465257774.db2.gz VCJFFXVYSCNKAQ-SJORKVTESA-N 1 2 345.443 2.131 20 30 EEEDLO CC(C)CC(=O)N1CCC(NC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)CC1 ZINC000329177647 465258064 /nfs/dbraw/zinc/25/80/64/465258064.db2.gz CGHKWBVINRRNIP-QGZVFWFLSA-N 1 2 349.479 2.016 20 30 EEEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@H]3CCCc4occc43)CC2)cn1 ZINC000329204590 465267207 /nfs/dbraw/zinc/26/72/07/465267207.db2.gz ZABRYPCLJZLZNC-INIZCTEOSA-N 1 2 343.431 2.122 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1scnc1C1CC1 ZINC000329229797 465275310 /nfs/dbraw/zinc/27/53/10/465275310.db2.gz CXTAMNAGWHHFSZ-YPMHNXCESA-N 1 2 336.461 2.361 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000341987742 465280774 /nfs/dbraw/zinc/28/07/74/465280774.db2.gz IAXROCBQZQMKPW-CQSZACIVSA-N 1 2 333.436 2.043 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)N(CC(C)C)CC(F)(F)F)CC1 ZINC000341993811 465282581 /nfs/dbraw/zinc/28/25/81/465282581.db2.gz POGWRTBCBFXLHD-UHFFFAOYSA-N 1 2 349.397 2.285 20 30 EEEDLO CN(CC1(O)CCC1)C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329514050 465358936 /nfs/dbraw/zinc/35/89/36/465358936.db2.gz LRQMMOUYGFHKHN-CYBMUJFWSA-N 1 2 334.464 2.256 20 30 EEEDLO COc1ccccc1[C@H](NC(=O)N(C)C[C@H](C)C#N)c1[nH+]ccn1C ZINC000045307221 462575792 /nfs/dbraw/zinc/57/57/92/462575792.db2.gz XWCYZRTZQPVHAG-CJNGLKHVSA-N 1 2 341.415 2.319 20 30 EEEDLO N#CCCCCS(=O)(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000153169796 462622250 /nfs/dbraw/zinc/62/22/50/462622250.db2.gz ZWTHSENISUZEEI-UHFFFAOYSA-N 1 2 332.429 2.260 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000088523654 462633872 /nfs/dbraw/zinc/63/38/72/462633872.db2.gz GYMCNNJGIDQJIS-LJQANCHMSA-N 1 2 338.455 2.069 20 30 EEEDLO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000074917443 462653797 /nfs/dbraw/zinc/65/37/97/462653797.db2.gz YNIPRKDYHLYVNU-CRAIPNDOSA-N 1 2 342.443 2.125 20 30 EEEDLO CC[N@@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)C[C@@H](C)C#N ZINC000064248685 462691319 /nfs/dbraw/zinc/69/13/19/462691319.db2.gz VKRIPYFUEKNWNF-INIZCTEOSA-N 1 2 339.443 2.013 20 30 EEEDLO CC[N@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)C[C@@H](C)C#N ZINC000064248685 462691323 /nfs/dbraw/zinc/69/13/23/462691323.db2.gz VKRIPYFUEKNWNF-INIZCTEOSA-N 1 2 339.443 2.013 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000064442714 462703632 /nfs/dbraw/zinc/70/36/32/462703632.db2.gz IMAGLQCLVNTTAV-AWEZNQCLSA-N 1 2 347.440 2.243 20 30 EEEDLO N#CCCN(CC#Cc1cccc(Cl)c1)CC[NH+]1CCOCC1 ZINC000154253528 462746435 /nfs/dbraw/zinc/74/64/35/462746435.db2.gz BKFFCRVKOKKESX-UHFFFAOYSA-N 1 2 331.847 2.239 20 30 EEEDLO Cc1ccc([C@@H]2COCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)o1 ZINC000116894321 462780310 /nfs/dbraw/zinc/78/03/10/462780310.db2.gz SBXUTGUHIWYSKR-WMZOPIPTSA-N 1 2 342.395 2.273 20 30 EEEDLO Cc1ccc([C@@H]2COCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)o1 ZINC000116894321 462780314 /nfs/dbraw/zinc/78/03/14/462780314.db2.gz SBXUTGUHIWYSKR-WMZOPIPTSA-N 1 2 342.395 2.273 20 30 EEEDLO C[C@H](C(=O)N(C)[C@@H](C)CC#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117789332 462812781 /nfs/dbraw/zinc/81/27/81/462812781.db2.gz PBTVBZVLLPVRDU-LSDHHAIUSA-N 1 2 332.423 2.097 20 30 EEEDLO C[NH+]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000048167297 462868839 /nfs/dbraw/zinc/86/88/39/462868839.db2.gz OBARJGPFCLHIMB-UHFFFAOYSA-N 1 2 325.368 2.118 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(CO)CC1 ZINC000076991941 462931815 /nfs/dbraw/zinc/93/18/15/462931815.db2.gz ZUAMSMIGBPCZLC-NSHDSACASA-N 1 2 333.457 2.140 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000051227023 463026398 /nfs/dbraw/zinc/02/63/98/463026398.db2.gz KHYBJVXBMAWWQT-UHFFFAOYSA-N 1 2 328.460 2.188 20 30 EEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000023376456 463066465 /nfs/dbraw/zinc/06/64/65/463066465.db2.gz ORRVRXWIVDHTRY-ZDUSSCGKSA-N 1 2 339.842 2.287 20 30 EEEDLO CC(C)CNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000121140018 463086824 /nfs/dbraw/zinc/08/68/24/463086824.db2.gz RKCAMCUZLHOVKA-SJLPKXTDSA-N 1 2 328.460 2.030 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2cccs2)CC1 ZINC000121259816 463105821 /nfs/dbraw/zinc/10/58/21/463105821.db2.gz SEPYLOVFPWZHON-WMLDXEAASA-N 1 2 334.489 2.313 20 30 EEEDLO C=CC[N@@H+](C)[C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000121283615 463109932 /nfs/dbraw/zinc/10/99/32/463109932.db2.gz APQAGIPQTXXQBI-JTQLQIEISA-N 1 2 341.333 2.497 20 30 EEEDLO C=CC[N@H+](C)[C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000121283615 463109937 /nfs/dbraw/zinc/10/99/37/463109937.db2.gz APQAGIPQTXXQBI-JTQLQIEISA-N 1 2 341.333 2.497 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](CC(N)=O)CC(C)C ZINC000026126711 463150292 /nfs/dbraw/zinc/15/02/92/463150292.db2.gz HKAYQCFIYICIGP-UHFFFAOYSA-N 1 2 335.473 2.347 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@H+](CC(N)=O)CC(C)C ZINC000026126711 463150297 /nfs/dbraw/zinc/15/02/97/463150297.db2.gz HKAYQCFIYICIGP-UHFFFAOYSA-N 1 2 335.473 2.347 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)O[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158163461 463212142 /nfs/dbraw/zinc/21/21/42/463212142.db2.gz BBEYZRJBFGJQCG-CYBMUJFWSA-N 1 2 331.416 2.072 20 30 EEEDLO C=CC[N@@H+](CC(=O)NCCCC(=O)OCC)Cc1ccc(OC)cc1 ZINC000054272155 463223120 /nfs/dbraw/zinc/22/31/20/463223120.db2.gz KGEZOWIXEGADOS-UHFFFAOYSA-N 1 2 348.443 2.143 20 30 EEEDLO C=CC[N@H+](CC(=O)NCCCC(=O)OCC)Cc1ccc(OC)cc1 ZINC000054272155 463223124 /nfs/dbraw/zinc/22/31/24/463223124.db2.gz KGEZOWIXEGADOS-UHFFFAOYSA-N 1 2 348.443 2.143 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(F)c(C#N)c2)n1 ZINC000491327507 468351093 /nfs/dbraw/zinc/35/10/93/468351093.db2.gz VZECIZSRGPZTIN-UHFFFAOYSA-N 1 2 326.375 2.176 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(F)c(C#N)c2)n1 ZINC000491327507 468351099 /nfs/dbraw/zinc/35/10/99/468351099.db2.gz VZECIZSRGPZTIN-UHFFFAOYSA-N 1 2 326.375 2.176 20 30 EEEDLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000139040387 463317622 /nfs/dbraw/zinc/31/76/22/463317622.db2.gz NOJKEHGCIQMZMP-UONOGXRCSA-N 1 2 347.440 2.000 20 30 EEEDLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000139040387 463317624 /nfs/dbraw/zinc/31/76/24/463317624.db2.gz NOJKEHGCIQMZMP-UONOGXRCSA-N 1 2 347.440 2.000 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000140515093 463344099 /nfs/dbraw/zinc/34/40/99/463344099.db2.gz STVWVRHUMMFTNJ-ZIFCJYIRSA-N 1 2 328.412 2.399 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000140515093 463344102 /nfs/dbraw/zinc/34/41/02/463344102.db2.gz STVWVRHUMMFTNJ-ZIFCJYIRSA-N 1 2 328.412 2.399 20 30 EEEDLO C#C[C@H](C)N(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000491406120 468358167 /nfs/dbraw/zinc/35/81/67/468358167.db2.gz LZOWSNWLDZNRQB-IAOVAPTHSA-N 1 2 349.862 2.375 20 30 EEEDLO C#C[C@H](C)N(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000491406120 468358172 /nfs/dbraw/zinc/35/81/72/468358172.db2.gz LZOWSNWLDZNRQB-IAOVAPTHSA-N 1 2 349.862 2.375 20 30 EEEDLO CCC(C)(C)NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354545 463558962 /nfs/dbraw/zinc/55/89/62/463558962.db2.gz QFHDZPUYUAFRRB-MRXNPFEDSA-N 1 2 342.487 2.369 20 30 EEEDLO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000042354545 463558967 /nfs/dbraw/zinc/55/89/67/463558967.db2.gz QFHDZPUYUAFRRB-MRXNPFEDSA-N 1 2 342.487 2.369 20 30 EEEDLO C#CC[N@@H+](CN1C(=O)N[C@@](C)(C2CC2)C1=O)[C@@H]1CCc2ccccc21 ZINC000193400129 463710054 /nfs/dbraw/zinc/71/00/54/463710054.db2.gz PXXBLXXVNUJTAP-XLIONFOSSA-N 1 2 337.423 2.287 20 30 EEEDLO C#CC[N@H+](CN1C(=O)N[C@@](C)(C2CC2)C1=O)[C@@H]1CCc2ccccc21 ZINC000193400129 463710059 /nfs/dbraw/zinc/71/00/59/463710059.db2.gz PXXBLXXVNUJTAP-XLIONFOSSA-N 1 2 337.423 2.287 20 30 EEEDLO C=CCC[C@@H](NC(=O)C(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000283259362 463823443 /nfs/dbraw/zinc/82/34/43/463823443.db2.gz MMDXTYNJCHWRPF-QGZVFWFLSA-N 1 2 340.427 2.213 20 30 EEEDLO C=CCC[C@@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)c1ccccc1 ZINC000269379989 463970846 /nfs/dbraw/zinc/97/08/46/463970846.db2.gz XDUUAAKVDMZYEP-ZWKOTPCHSA-N 1 2 330.476 2.239 20 30 EEEDLO C=CCC[C@@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)c1ccccc1 ZINC000269379989 463970848 /nfs/dbraw/zinc/97/08/48/463970848.db2.gz XDUUAAKVDMZYEP-ZWKOTPCHSA-N 1 2 330.476 2.239 20 30 EEEDLO NC(=[NH+]OCc1cccc(C(=O)NCc2ccco2)c1)[C@@H]1CCCO1 ZINC000283841014 464028133 /nfs/dbraw/zinc/02/81/33/464028133.db2.gz BQWRENVQMNAMDP-INIZCTEOSA-N 1 2 343.383 2.177 20 30 EEEDLO Cc1cc(C(O)=CONC(=[NH2+])[C@H]2CCCO2)c(C)n1CC(F)(F)F ZINC000283932341 464046945 /nfs/dbraw/zinc/04/69/45/464046945.db2.gz FDJKCBBTMWWYLC-CYBMUJFWSA-N 1 2 347.337 2.318 20 30 EEEDLO Cc1cc(C(=O)CO[NH+]=C(N)[C@H]2CCCO2)c(C)n1CC(F)(F)F ZINC000283932341 464046948 /nfs/dbraw/zinc/04/69/48/464046948.db2.gz FDJKCBBTMWWYLC-CYBMUJFWSA-N 1 2 347.337 2.318 20 30 EEEDLO CC(C)[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)c1[nH]cc[nH+]1 ZINC000288875396 464060981 /nfs/dbraw/zinc/06/09/81/464060981.db2.gz HEWNXVHHZPTUKM-LBPRGKRZSA-N 1 2 340.355 2.235 20 30 EEEDLO CC(C)C[C@H](NC(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1ccccc1 ZINC000284020057 464071677 /nfs/dbraw/zinc/07/16/77/464071677.db2.gz IBTYXQWDYIJSQC-JKSUJKDBSA-N 1 2 333.432 2.358 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000279565609 464117148 /nfs/dbraw/zinc/11/71/48/464117148.db2.gz SOWWEPHGPQRAGF-MRXNPFEDSA-N 1 2 347.459 2.114 20 30 EEEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000172619620 464119632 /nfs/dbraw/zinc/11/96/32/464119632.db2.gz ZCWRHJUUTRRGCA-UHFFFAOYSA-N 1 2 332.828 2.362 20 30 EEEDLO CC(C)[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000180038738 464229205 /nfs/dbraw/zinc/22/92/05/464229205.db2.gz VDHMXCNEZGXPDU-NVXWUHKLSA-N 1 2 348.443 2.254 20 30 EEEDLO Cc1cccc(N(CCC#N)C(=O)CN(C)Cc2[nH+]ccn2C)c1C ZINC000271045959 464276524 /nfs/dbraw/zinc/27/65/24/464276524.db2.gz VJLHOASSQRMOCQ-UHFFFAOYSA-N 1 2 339.443 2.416 20 30 EEEDLO C[C@@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000264209247 464290503 /nfs/dbraw/zinc/29/05/03/464290503.db2.gz GPAMBTBOWKFQAR-ILXRZTDVSA-N 1 2 330.432 2.028 20 30 EEEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000292866235 464369302 /nfs/dbraw/zinc/36/93/02/464369302.db2.gz XONNBQJSDHNPNG-UHFFFAOYSA-N 1 2 338.411 2.175 20 30 EEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000264630145 464401244 /nfs/dbraw/zinc/40/12/44/464401244.db2.gz KJRAFMHBVKHEPR-HNNXBMFYSA-N 1 2 344.434 2.220 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000294252559 464446385 /nfs/dbraw/zinc/44/63/85/464446385.db2.gz CWYMMASHOSWFKX-WFASDCNBSA-N 1 2 331.803 2.317 20 30 EEEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NCc1c[nH+]c2cccc(C)n12 ZINC000359640612 465474902 /nfs/dbraw/zinc/47/49/02/465474902.db2.gz AIGOOZHICDZCIY-UHFFFAOYSA-N 1 2 343.394 3.016 20 30 EEEDLO CC(C)(C#N)CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000359645952 465476627 /nfs/dbraw/zinc/47/66/27/465476627.db2.gz HMRLECKNDZLVJQ-UHFFFAOYSA-N 1 2 339.399 2.191 20 30 EEEDLO C=CCC[C@H](C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)c1ccccc1 ZINC000189312811 464473700 /nfs/dbraw/zinc/47/37/00/464473700.db2.gz GLHUNEWAOKWRDO-HKUYNNGSSA-N 1 2 329.488 2.489 20 30 EEEDLO C=CCN(CC=C)C(=O)CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000272401993 464593243 /nfs/dbraw/zinc/59/32/43/464593243.db2.gz ASOAZWYHYRQNRC-UHFFFAOYSA-N 1 2 336.439 2.431 20 30 EEEDLO COC(=O)[C@H](C)[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CCC1 ZINC000190084181 464594573 /nfs/dbraw/zinc/59/45/73/464594573.db2.gz LSGUGSWGZCTQMN-AWEZNQCLSA-N 1 2 335.448 2.087 20 30 EEEDLO COC(=O)[C@H](C)[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CCC1 ZINC000190084181 464594581 /nfs/dbraw/zinc/59/45/81/464594581.db2.gz LSGUGSWGZCTQMN-AWEZNQCLSA-N 1 2 335.448 2.087 20 30 EEEDLO Cc1ccc(NC(=O)CN(C)C(=O)C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000272637593 464683461 /nfs/dbraw/zinc/68/34/61/464683461.db2.gz XEDICENLHLXANA-UHFFFAOYSA-N 1 2 342.443 2.018 20 30 EEEDLO C=CCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273389602 464713377 /nfs/dbraw/zinc/71/33/77/464713377.db2.gz ZZLWWLIPSSNUPO-UHFFFAOYSA-N 1 2 337.221 2.433 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000274361160 464742547 /nfs/dbraw/zinc/74/25/47/464742547.db2.gz VRTPMBZRLJTHPS-UHFFFAOYSA-N 1 2 341.371 2.394 20 30 EEEDLO C=CCNC(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249727112 464908919 /nfs/dbraw/zinc/90/89/19/464908919.db2.gz QQFULPRRLIIKOH-HIFRSBDPSA-N 1 2 329.227 2.186 20 30 EEEDLO C=CCNC(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249727112 464908925 /nfs/dbraw/zinc/90/89/25/464908925.db2.gz QQFULPRRLIIKOH-HIFRSBDPSA-N 1 2 329.227 2.186 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)o1 ZINC000286574364 464965456 /nfs/dbraw/zinc/96/54/56/464965456.db2.gz JHVDXOSBBNWHBY-UHFFFAOYSA-N 1 2 346.412 2.015 20 30 EEEDLO COC(=O)[C@]1(C)CCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192796413 464999305 /nfs/dbraw/zinc/99/93/05/464999305.db2.gz SQPFGOGEGXRKLH-APWZRJJASA-N 1 2 341.411 2.081 20 30 EEEDLO COC(=O)[C@]1(C)CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192796413 464999312 /nfs/dbraw/zinc/99/93/12/464999312.db2.gz SQPFGOGEGXRKLH-APWZRJJASA-N 1 2 341.411 2.081 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000184586088 465002176 /nfs/dbraw/zinc/00/21/76/465002176.db2.gz QEDLOTNCQUWLGJ-HNNXBMFYSA-N 1 2 336.505 2.246 20 30 EEEDLO C[C@@H](c1nccs1)N1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000184603128 465007057 /nfs/dbraw/zinc/00/70/57/465007057.db2.gz SGLBNRYBWVGZRP-WMLDXEAASA-N 1 2 342.468 2.427 20 30 EEEDLO N#C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCN1Cc1ccccc1 ZINC000548086085 468429099 /nfs/dbraw/zinc/42/90/99/468429099.db2.gz NWARHVWTECXCCY-SJORKVTESA-N 1 2 349.438 2.066 20 30 EEEDLO Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)no1 ZINC000329414212 465327275 /nfs/dbraw/zinc/32/72/75/465327275.db2.gz YSQFRHPCHMDTRN-RISCZKNCSA-N 1 2 332.408 2.270 20 30 EEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@H]1CCCOCC1 ZINC000329417883 465327989 /nfs/dbraw/zinc/32/79/89/465327989.db2.gz DNSQDCXEEOCPLJ-NSHDSACASA-N 1 2 334.342 2.360 20 30 EEEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000579902983 468430499 /nfs/dbraw/zinc/43/04/99/468430499.db2.gz BENSTOGHZGVQRT-QGZVFWFLSA-N 1 2 327.428 2.082 20 30 EEEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000579902983 468430505 /nfs/dbraw/zinc/43/05/05/468430505.db2.gz BENSTOGHZGVQRT-QGZVFWFLSA-N 1 2 327.428 2.082 20 30 EEEDLO C=CCn1c(SCC[N@@H+]2CCO[C@@H](C)C2)nnc1-c1cccnc1 ZINC000298315902 465362352 /nfs/dbraw/zinc/36/23/52/465362352.db2.gz NDGVEHNGSYDCJC-AWEZNQCLSA-N 1 2 345.472 2.339 20 30 EEEDLO C=CCn1c(SCC[N@H+]2CCO[C@@H](C)C2)nnc1-c1cccnc1 ZINC000298315902 465362355 /nfs/dbraw/zinc/36/23/55/465362355.db2.gz NDGVEHNGSYDCJC-AWEZNQCLSA-N 1 2 345.472 2.339 20 30 EEEDLO C=C(C)CN(C)C(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000339663252 465428315 /nfs/dbraw/zinc/42/83/15/465428315.db2.gz CWWOHCFAZQSBPF-HNNXBMFYSA-N 1 2 337.851 2.093 20 30 EEEDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@@H]1C=CCCC1 ZINC000329804336 465439875 /nfs/dbraw/zinc/43/98/75/465439875.db2.gz LZUWULJEVVWOGF-QZTJIDSGSA-N 1 2 329.444 2.500 20 30 EEEDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@@H]1C=CCCC1 ZINC000329804336 465439883 /nfs/dbraw/zinc/43/98/83/465439883.db2.gz LZUWULJEVVWOGF-QZTJIDSGSA-N 1 2 329.444 2.500 20 30 EEEDLO CCN1CCN(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329941556 465482181 /nfs/dbraw/zinc/48/21/81/465482181.db2.gz CFQWBUSDOATDIH-ZIAGYGMSSA-N 1 2 349.479 2.348 20 30 EEEDLO N#Cc1cccc(Cl)c1N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000359879036 465500805 /nfs/dbraw/zinc/50/08/05/465500805.db2.gz ZBKOTSZVTVMCIJ-UHFFFAOYSA-N 1 2 332.835 2.132 20 30 EEEDLO CN(CC[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000330033432 465512612 /nfs/dbraw/zinc/51/26/12/465512612.db2.gz AFIUGVZHUJACPQ-INIZCTEOSA-N 1 2 339.480 2.046 20 30 EEEDLO CC[C@@H]1C[N@H+](Cc2csc(CC(=O)NC)n2)C[C@@]2(CCOC2)O1 ZINC000330064002 465522039 /nfs/dbraw/zinc/52/20/39/465522039.db2.gz BYASRAFYUSHHPL-CZUORRHYSA-N 1 2 339.461 2.042 20 30 EEEDLO CC[C@@H]1C[N@@H+](Cc2csc(CC(=O)NC)n2)C[C@@]2(CCOC2)O1 ZINC000330064002 465522045 /nfs/dbraw/zinc/52/20/45/465522045.db2.gz BYASRAFYUSHHPL-CZUORRHYSA-N 1 2 339.461 2.042 20 30 EEEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330076914 465525927 /nfs/dbraw/zinc/52/59/27/465525927.db2.gz MOJPQFBMDBFPSI-VFVRVIDISA-N 1 2 348.399 2.272 20 30 EEEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330076914 465525930 /nfs/dbraw/zinc/52/59/30/465525930.db2.gz MOJPQFBMDBFPSI-VFVRVIDISA-N 1 2 348.399 2.272 20 30 EEEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000348317566 465547696 /nfs/dbraw/zinc/54/76/96/465547696.db2.gz KKYIWLWPMXCYRQ-IRXDYDNUSA-N 1 2 346.862 2.191 20 30 EEEDLO CCCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348333614 465555191 /nfs/dbraw/zinc/55/51/91/465555191.db2.gz ZZDKCZUESRIBBC-PBHICJAKSA-N 1 2 348.878 2.437 20 30 EEEDLO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1ccc2c(c1)OCO2 ZINC000330180394 465559129 /nfs/dbraw/zinc/55/91/29/465559129.db2.gz NJIWYXCMGMLTHO-SWLSCSKDSA-N 1 2 336.413 2.210 20 30 EEEDLO O=C(C[N@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1ccc2c(c1)OCO2 ZINC000330180394 465559131 /nfs/dbraw/zinc/55/91/31/465559131.db2.gz NJIWYXCMGMLTHO-SWLSCSKDSA-N 1 2 336.413 2.210 20 30 EEEDLO COc1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)ccn1 ZINC000339866978 465562669 /nfs/dbraw/zinc/56/26/69/465562669.db2.gz PNTMGTARVFPEHM-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C=CC[N@@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)Cc1cccc(C#N)c1 ZINC000299296170 465685001 /nfs/dbraw/zinc/68/50/01/465685001.db2.gz BYCMQEPIALBRGQ-HOTGVXAUSA-N 1 2 327.428 2.182 20 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/nfs/dbraw/zinc/90/01/07/465900107.db2.gz MBYJWSIEQCGBCQ-RHSMWYFYSA-N 1 2 332.448 2.042 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)ccn1 ZINC000338261255 465958880 /nfs/dbraw/zinc/95/88/80/465958880.db2.gz LQJSNRNJYQVKFN-INIZCTEOSA-N 1 2 326.787 2.393 20 30 EEEDLO N#CCN1CCC(CNc2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000301583990 465991319 /nfs/dbraw/zinc/99/13/19/465991319.db2.gz AOCIOPUBWRUAOE-UHFFFAOYSA-N 1 2 347.426 2.463 20 30 EEEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000331330203 466034456 /nfs/dbraw/zinc/03/44/56/466034456.db2.gz QWLKDUWMIJSQMX-IJEWVQPXSA-N 1 2 333.432 2.195 20 30 EEEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000331330203 466034462 /nfs/dbraw/zinc/03/44/62/466034462.db2.gz QWLKDUWMIJSQMX-IJEWVQPXSA-N 1 2 333.432 2.195 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2Cc2cccc(C#N)c2F)O1 ZINC000338375428 466071864 /nfs/dbraw/zinc/07/18/64/466071864.db2.gz GCRMOKJCVNYKFM-MPESAESLSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2Cc2cccc(C#N)c2F)O1 ZINC000338375428 466071868 /nfs/dbraw/zinc/07/18/68/466071868.db2.gz GCRMOKJCVNYKFM-MPESAESLSA-N 1 2 332.375 2.381 20 30 EEEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000372169289 466201489 /nfs/dbraw/zinc/20/14/89/466201489.db2.gz GPDZTZKACRBQSO-SFHVURJKSA-N 1 2 335.407 2.240 20 30 EEEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000372169289 466201497 /nfs/dbraw/zinc/20/14/97/466201497.db2.gz GPDZTZKACRBQSO-SFHVURJKSA-N 1 2 335.407 2.240 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000372183950 466211039 /nfs/dbraw/zinc/21/10/39/466211039.db2.gz ATFUSJDAQMMRTM-UHFFFAOYSA-N 1 2 338.411 2.243 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000372183950 466211046 /nfs/dbraw/zinc/21/10/46/466211046.db2.gz ATFUSJDAQMMRTM-UHFFFAOYSA-N 1 2 338.411 2.243 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Br)cc1F ZINC000555482573 468478593 /nfs/dbraw/zinc/47/85/93/468478593.db2.gz DYECKFPWWJCBFF-ZDUSSCGKSA-N 1 2 328.185 2.162 20 30 EEEDLO N#CC1(NC(=O)C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)CCC1 ZINC000346898597 466235352 /nfs/dbraw/zinc/23/53/52/466235352.db2.gz HFXSAZPLDNPOJK-QGZVFWFLSA-N 1 2 345.418 2.369 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)CCC1 ZINC000346898597 466235361 /nfs/dbraw/zinc/23/53/61/466235361.db2.gz HFXSAZPLDNPOJK-QGZVFWFLSA-N 1 2 345.418 2.369 20 30 EEEDLO C=CC[N@@H+](CC(=O)OCC)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000367283966 466238791 /nfs/dbraw/zinc/23/87/91/466238791.db2.gz BOUNMQNDBUXHLI-MRXNPFEDSA-N 1 2 330.428 2.200 20 30 EEEDLO C=CC[N@H+](CC(=O)OCC)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000367283966 466238796 /nfs/dbraw/zinc/23/87/96/466238796.db2.gz BOUNMQNDBUXHLI-MRXNPFEDSA-N 1 2 330.428 2.200 20 30 EEEDLO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)C[C@H](C)O1 ZINC000363173441 466262026 /nfs/dbraw/zinc/26/20/26/466262026.db2.gz DSRNUOJHUMCIGK-UKBAYJJMSA-N 1 2 341.455 2.394 20 30 EEEDLO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)C[C@H](C)O1 ZINC000363173441 466262029 /nfs/dbraw/zinc/26/20/29/466262029.db2.gz DSRNUOJHUMCIGK-UKBAYJJMSA-N 1 2 341.455 2.394 20 30 EEEDLO CC(=O)NCC[N@H+](CCC(C)(C)C#N)[C@@H](C)C(=O)OC(C)(C)C ZINC000346953434 466278981 /nfs/dbraw/zinc/27/89/81/466278981.db2.gz FCBQZQPSVDAFRF-ZDUSSCGKSA-N 1 2 325.453 2.095 20 30 EEEDLO CC(=O)NCC[N@@H+](CCC(C)(C)C#N)[C@@H](C)C(=O)OC(C)(C)C ZINC000346953434 466278982 /nfs/dbraw/zinc/27/89/82/466278982.db2.gz FCBQZQPSVDAFRF-ZDUSSCGKSA-N 1 2 325.453 2.095 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)OC)[C@H]2C(=O)OC)cc1 ZINC000354034614 466333449 /nfs/dbraw/zinc/33/34/49/466333449.db2.gz SUYSVKUCCWLKBZ-IRXDYDNUSA-N 1 2 347.411 2.178 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)OC)[C@H]2C(=O)OC)cc1 ZINC000354034614 466333455 /nfs/dbraw/zinc/33/34/55/466333455.db2.gz SUYSVKUCCWLKBZ-IRXDYDNUSA-N 1 2 347.411 2.178 20 30 EEEDLO CN(CC(=O)Nc1cccc(F)c1)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000350056437 466368115 /nfs/dbraw/zinc/36/81/15/466368115.db2.gz YRYOCNNBOSKROA-UHFFFAOYSA-N 1 2 337.358 2.416 20 30 EEEDLO C[N@H+](CC(=O)Nc1cccc(F)c1)Cc1cnc2ccc(C#N)cn12 ZINC000350056437 466368120 /nfs/dbraw/zinc/36/81/20/466368120.db2.gz YRYOCNNBOSKROA-UHFFFAOYSA-N 1 2 337.358 2.416 20 30 EEEDLO C[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1cnc2ccc(C#N)cn12 ZINC000350056437 466368129 /nfs/dbraw/zinc/36/81/29/466368129.db2.gz YRYOCNNBOSKROA-UHFFFAOYSA-N 1 2 337.358 2.416 20 30 EEEDLO C=C(C)Cn1c(CC(C)(C)C)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000338805470 466390883 /nfs/dbraw/zinc/39/08/83/466390883.db2.gz QFHWPOHWKLBYFP-INIZCTEOSA-N 1 2 347.507 2.354 20 30 EEEDLO C=CC[C@H](CC)NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000347159011 466438959 /nfs/dbraw/zinc/43/89/59/466438959.db2.gz QJLDKBRAUFOHOX-JOQOYGCGSA-N 1 2 344.459 2.333 20 30 EEEDLO CCC[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@H](CC)C(=O)OCC ZINC000569455777 468493639 /nfs/dbraw/zinc/49/36/39/468493639.db2.gz BXWIPBYGKAKCLG-OAHLLOKOSA-N 1 2 329.404 2.155 20 30 EEEDLO CCC[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@H](CC)C(=O)OCC ZINC000569455777 468493646 /nfs/dbraw/zinc/49/36/46/468493646.db2.gz BXWIPBYGKAKCLG-OAHLLOKOSA-N 1 2 329.404 2.155 20 30 EEEDLO C=CCN(CCOC)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000358157372 466500419 /nfs/dbraw/zinc/50/04/19/466500419.db2.gz WXPKEUPZYVBMLM-MRXNPFEDSA-N 1 2 346.406 2.493 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000314495162 466551850 /nfs/dbraw/zinc/55/18/50/466551850.db2.gz QVMNSUGCVVPFEG-SWLSCSKDSA-N 1 2 348.244 2.421 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000314495162 466551860 /nfs/dbraw/zinc/55/18/60/466551860.db2.gz QVMNSUGCVVPFEG-SWLSCSKDSA-N 1 2 348.244 2.421 20 30 EEEDLO C=CCNC(=O)Cc1noc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000350713224 466585150 /nfs/dbraw/zinc/58/51/50/466585150.db2.gz UAWPWSZKBTYFBS-HNNXBMFYSA-N 1 2 344.390 2.391 20 30 EEEDLO C=CCNC(=O)Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000350713224 466585157 /nfs/dbraw/zinc/58/51/57/466585157.db2.gz UAWPWSZKBTYFBS-HNNXBMFYSA-N 1 2 344.390 2.391 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)NCC2CCC(C#N)CC2)CCO1 ZINC000333057890 466602894 /nfs/dbraw/zinc/60/28/94/466602894.db2.gz ICARONKDVSENOB-OCUYMYNFSA-N 1 2 345.447 2.269 20 30 EEEDLO C#CCCOc1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C(=O)OC)cc1 ZINC000376823405 466935938 /nfs/dbraw/zinc/93/59/38/466935938.db2.gz PHDACNFZANHJRY-QZTJIDSGSA-N 1 2 331.412 2.241 20 30 EEEDLO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C(=O)OC)cc1 ZINC000376823405 466935941 /nfs/dbraw/zinc/93/59/41/466935941.db2.gz PHDACNFZANHJRY-QZTJIDSGSA-N 1 2 331.412 2.241 20 30 EEEDLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374308711 467038883 /nfs/dbraw/zinc/03/88/83/467038883.db2.gz HEIDDBXQQGRGCG-CYBMUJFWSA-N 1 2 349.442 2.242 20 30 EEEDLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374308711 467038886 /nfs/dbraw/zinc/03/88/86/467038886.db2.gz HEIDDBXQQGRGCG-CYBMUJFWSA-N 1 2 349.442 2.242 20 30 EEEDLO CC1(C)C[N@H+](CCNc2cc(C(F)(F)F)cnc2C#N)CCO1 ZINC000413106106 467170871 /nfs/dbraw/zinc/17/08/71/467170871.db2.gz JCMBSADCSVYKNB-UHFFFAOYSA-N 1 2 328.338 2.495 20 30 EEEDLO CC1(C)C[N@@H+](CCNc2cc(C(F)(F)F)cnc2C#N)CCO1 ZINC000413106106 467170873 /nfs/dbraw/zinc/17/08/73/467170873.db2.gz JCMBSADCSVYKNB-UHFFFAOYSA-N 1 2 328.338 2.495 20 30 EEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(C)CC(C)(C)C#N ZINC000433264549 467312829 /nfs/dbraw/zinc/31/28/29/467312829.db2.gz ALJUDSXUCSOEEC-UHFFFAOYSA-N 1 2 331.420 2.240 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)OC(C)(C)CC2=O ZINC000414145559 467383436 /nfs/dbraw/zinc/38/34/36/467383436.db2.gz PJTLSRHDAQTEQD-ZDUSSCGKSA-N 1 2 332.400 2.016 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)OC(C)(C)CC2=O ZINC000414145559 467383440 /nfs/dbraw/zinc/38/34/40/467383440.db2.gz PJTLSRHDAQTEQD-ZDUSSCGKSA-N 1 2 332.400 2.016 20 30 EEEDLO Cc1nn(C)c(N2CC[NH+](Cc3cccc(C)c3F)CC2)c1C#N ZINC000449277740 467627806 /nfs/dbraw/zinc/62/78/06/467627806.db2.gz YEGPNAPJQVSTPQ-UHFFFAOYSA-N 1 2 327.407 2.370 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000527297939 467658043 /nfs/dbraw/zinc/65/80/43/467658043.db2.gz CVWPMSCTCMEBPZ-OAHLLOKOSA-N 1 2 349.438 2.181 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000527297939 467658047 /nfs/dbraw/zinc/65/80/47/467658047.db2.gz CVWPMSCTCMEBPZ-OAHLLOKOSA-N 1 2 349.438 2.181 20 30 EEEDLO CN(CC1CC[NH+](Cc2ncc(C#N)cn2)CC1)C(=O)OC(C)(C)C ZINC000496607126 467673200 /nfs/dbraw/zinc/67/32/00/467673200.db2.gz LHRFNKIMWPAWAO-UHFFFAOYSA-N 1 2 345.447 2.427 20 30 EEEDLO CN(CC(C)(C)C#N)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000457743034 467693582 /nfs/dbraw/zinc/69/35/82/467693582.db2.gz PSROGNFLBGDQGB-KRWDZBQOSA-N 1 2 344.459 2.251 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ncc(C#N)cn2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000497114192 467841483 /nfs/dbraw/zinc/84/14/83/467841483.db2.gz QNPWHOFKJQZOAO-DZGCQCFKSA-N 1 2 345.447 2.331 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ncc(C#N)cn2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000497114192 467841486 /nfs/dbraw/zinc/84/14/86/467841486.db2.gz QNPWHOFKJQZOAO-DZGCQCFKSA-N 1 2 345.447 2.331 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 ZINC000493325470 467886959 /nfs/dbraw/zinc/88/69/59/467886959.db2.gz RRMRWQYMSCKUBY-BDUNBXCCSA-N 1 2 349.818 2.084 20 30 EEEDLO N#Cc1cccnc1OC1CCC(NC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493575418 467940521 /nfs/dbraw/zinc/94/05/21/467940521.db2.gz BANGZLVWVPTBOQ-BQYQJAHWSA-N 1 2 337.383 2.196 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC000517572065 468089619 /nfs/dbraw/zinc/08/96/19/468089619.db2.gz IKRAQPYUZLGBBC-KRWDZBQOSA-N 1 2 348.834 2.040 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(F)F)CC3)C2=O)cc1 ZINC000532440210 468118916 /nfs/dbraw/zinc/11/89/16/468118916.db2.gz OZZCTEISGDMKQS-CQSZACIVSA-N 1 2 333.338 2.167 20 30 EEEDLO O=[N+]([O-])c1ccc(N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)cn1 ZINC000532610516 468126319 /nfs/dbraw/zinc/12/63/19/468126319.db2.gz XCKJAKAKNIDTLQ-UHFFFAOYSA-N 1 2 340.358 2.303 20 30 EEEDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000496259358 468128202 /nfs/dbraw/zinc/12/82/02/468128202.db2.gz AJLQVCZVFOXCHH-AWEZNQCLSA-N 1 2 332.360 2.177 20 30 EEEDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000496259358 468128203 /nfs/dbraw/zinc/12/82/03/468128203.db2.gz AJLQVCZVFOXCHH-AWEZNQCLSA-N 1 2 332.360 2.177 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(OCc2cccnc2)c1 ZINC000575234421 468138966 /nfs/dbraw/zinc/13/89/66/468138966.db2.gz BJICTYKQSIGIAP-LJQANCHMSA-N 1 2 338.411 2.234 20 30 EEEDLO COCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCO[C@@H]1C ZINC000489493293 468142963 /nfs/dbraw/zinc/14/29/63/468142963.db2.gz HJBOOASWGMDBEU-CZUORRHYSA-N 1 2 342.399 2.234 20 30 EEEDLO COCC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCO[C@@H]1C ZINC000489493293 468142968 /nfs/dbraw/zinc/14/29/68/468142968.db2.gz HJBOOASWGMDBEU-CZUORRHYSA-N 1 2 342.399 2.234 20 30 EEEDLO N#Cc1cc(NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)ncn1 ZINC000575859875 468155205 /nfs/dbraw/zinc/15/52/05/468155205.db2.gz DBZJVYQMOCAVCU-UHFFFAOYSA-N 1 2 342.406 2.918 20 30 EEEDLO C[C@H](CC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)n1cc[nH+]c1 ZINC000577114553 468178381 /nfs/dbraw/zinc/17/83/81/468178381.db2.gz KOXDUMFSWCHHEC-AEFFLSMTSA-N 1 2 337.427 2.243 20 30 EEEDLO N#CCN1CCC(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000591816369 468526462 /nfs/dbraw/zinc/52/64/62/468526462.db2.gz JMQSFKOHLKYBKU-QGZVFWFLSA-N 1 2 337.427 2.036 20 30 EEEDLO C[C@H](C#N)N(C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000598129703 468774834 /nfs/dbraw/zinc/77/48/34/468774834.db2.gz XRCZBPXKNGCRMO-HUUCEWRRSA-N 1 2 344.434 2.239 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000584036893 468789657 /nfs/dbraw/zinc/78/96/57/468789657.db2.gz YJZIELYUNBMAQS-CVEARBPZSA-N 1 2 335.473 2.309 20 30 EEEDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2c(C)cc(F)cc2C#N)CC1 ZINC000601432476 468870909 /nfs/dbraw/zinc/87/09/09/468870909.db2.gz XTRZXIRUBYBKOM-CYBMUJFWSA-N 1 2 339.436 2.111 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000584452739 468873695 /nfs/dbraw/zinc/87/36/95/468873695.db2.gz POAZIRDHFPTSMP-ILXRZTDVSA-N 1 2 339.386 2.210 20 30 EEEDLO CC[C@H](C#N)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000593394718 468961643 /nfs/dbraw/zinc/96/16/43/468961643.db2.gz KVEQTRPVEJBXOF-WBMJQRKESA-N 1 2 342.399 2.193 20 30 EEEDLO CC[C@@H](C#N)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000593449357 468984364 /nfs/dbraw/zinc/98/43/64/468984364.db2.gz AQYMIENGNIWOCZ-WMZOPIPTSA-N 1 2 329.444 2.286 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC000595762443 468995034 /nfs/dbraw/zinc/99/50/34/468995034.db2.gz WVYPBQNRCDBTEH-INIZCTEOSA-N 1 2 337.370 2.100 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@H+]1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC000595762443 468995041 /nfs/dbraw/zinc/99/50/41/468995041.db2.gz WVYPBQNRCDBTEH-INIZCTEOSA-N 1 2 337.370 2.100 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3ccoc3)CC2)cc1 ZINC000595767152 468997465 /nfs/dbraw/zinc/99/74/65/468997465.db2.gz VMROFNKBVQZXSG-UHFFFAOYSA-N 1 2 338.411 2.221 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000572846284 469007511 /nfs/dbraw/zinc/00/75/11/469007511.db2.gz UYYNEJNUFYJVHR-QGZVFWFLSA-N 1 2 346.431 2.447 20 30 EEEDLO COc1ccc(C[NH+]2CCN(C(=O)N3CCCCC3)CC2)cc1C#N ZINC000610995282 469134444 /nfs/dbraw/zinc/13/44/44/469134444.db2.gz HANNTGRGRHRHOU-UHFFFAOYSA-N 1 2 342.443 2.290 20 30 EEEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1CCC(C)(C)C#N ZINC000611462643 469253894 /nfs/dbraw/zinc/25/38/94/469253894.db2.gz YVPKVBFTTZYDKZ-MRXNPFEDSA-N 1 2 325.416 2.056 20 30 EEEDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)[nH]1 ZINC000602437775 469316123 /nfs/dbraw/zinc/31/61/23/469316123.db2.gz LFJMEGZEEHWSFN-UHFFFAOYSA-N 1 2 338.411 2.385 20 30 EEEDLO Cc1ncc([C@@H](C)[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c(C)n1 ZINC000602488412 469338218 /nfs/dbraw/zinc/33/82/18/469338218.db2.gz XGJOZRUOBMGDCP-GXTWGEPZSA-N 1 2 337.431 2.027 20 30 EEEDLO Cc1ncc([C@@H](C)[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c(C)n1 ZINC000602488412 469338223 /nfs/dbraw/zinc/33/82/23/469338223.db2.gz XGJOZRUOBMGDCP-GXTWGEPZSA-N 1 2 337.431 2.027 20 30 EEEDLO COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1F ZINC000612159356 469408054 /nfs/dbraw/zinc/40/80/54/469408054.db2.gz AINBOKZXQROVNK-SFHVURJKSA-N 1 2 333.407 2.418 20 30 EEEDLO COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@](C)(C#N)C2)cc1F ZINC000612159356 469408057 /nfs/dbraw/zinc/40/80/57/469408057.db2.gz AINBOKZXQROVNK-SFHVURJKSA-N 1 2 333.407 2.418 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000609485462 469931602 /nfs/dbraw/zinc/93/16/02/469931602.db2.gz QPYWEXPKBABLBC-KRWDZBQOSA-N 1 2 333.407 2.358 20 30 EEEDLO Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609538755 469937363 /nfs/dbraw/zinc/93/73/63/469937363.db2.gz XPSBNLUXXQLBKP-HKUYNNGSSA-N 1 2 342.487 2.166 20 30 EEEDLO C=CCC[C@H]1NC(=O)N(Cc2cc[nH+]c(N3CCSCC3)c2)C1=O ZINC000630998560 470046039 /nfs/dbraw/zinc/04/60/39/470046039.db2.gz XOFFANADKJNEBQ-CQSZACIVSA-N 1 2 346.456 2.021 20 30 EEEDLO C=CC[N@@H+](Cc1cn(C)nc1-c1ccc(C)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000648003412 471043581 /nfs/dbraw/zinc/04/35/81/471043581.db2.gz BUBYXURJTVYIOF-OAHLLOKOSA-N 1 2 349.456 2.164 20 30 EEEDLO C=CC[N@H+](Cc1cn(C)nc1-c1ccc(C)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000648003412 471043584 /nfs/dbraw/zinc/04/35/84/471043584.db2.gz BUBYXURJTVYIOF-OAHLLOKOSA-N 1 2 349.456 2.164 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000655621832 471411167 /nfs/dbraw/zinc/41/11/67/471411167.db2.gz WSLVTYAQIZCTQL-IAGOWNOFSA-N 1 2 342.443 2.330 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000131867447 534063076 /nfs/dbraw/zinc/06/30/76/534063076.db2.gz DXBSWSFZVYAQCY-WBVHZDCISA-N 1 2 330.432 2.051 20 30 EEEDLO N#CCCCS(=O)(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000111341701 534625449 /nfs/dbraw/zinc/62/54/49/534625449.db2.gz AFCOBZRGMMWWSZ-UHFFFAOYSA-N 1 2 336.461 2.185 20 30 EEEDLO C=C(C)CN(C)C(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000350195092 526482947 /nfs/dbraw/zinc/48/29/47/526482947.db2.gz VSOHHUCHKHZVIC-HNNXBMFYSA-N 1 2 345.443 2.053 20 30 EEEDLO C=CCNC(=O)c1ccc(N(C)Cc2cn3c([nH+]2)CCCC3)nc1 ZINC000365405736 526639886 /nfs/dbraw/zinc/63/98/86/526639886.db2.gz OTVTZVWYSVPPII-UHFFFAOYSA-N 1 2 325.416 2.167 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(CC(=O)NC)CC2)c1C ZINC000175007563 527294897 /nfs/dbraw/zinc/29/48/97/527294897.db2.gz QCBDZZZRLYRCBE-UHFFFAOYSA-N 1 2 331.460 2.322 20 30 EEEDLO C#C[C@@H](NC(=O)NCCCn1c(C)[nH+]c2ccccc21)[C@H]1CCCO1 ZINC000773216071 577323599 /nfs/dbraw/zinc/32/35/99/577323599.db2.gz XOTPDYFPSPIYOB-CRAIPNDOSA-N 1 2 340.427 2.215 20 30 EEEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)N3CCCC3)CC2)cc1 ZINC000768227687 577552345 /nfs/dbraw/zinc/55/23/45/577552345.db2.gz VKLKUIXCHMQFRQ-UHFFFAOYSA-N 1 2 327.428 2.032 20 30 EEEDLO N#Cc1c(F)cccc1N1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000770402717 577595538 /nfs/dbraw/zinc/59/55/38/577595538.db2.gz RFZDVKSJMODPRP-UHFFFAOYSA-N 1 2 349.369 2.307 20 30 EEEDLO C#CCN1CC[NH+]([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000760899148 577671645 /nfs/dbraw/zinc/67/16/45/577671645.db2.gz XVVLDSSSNHYMJD-NRFANRHFSA-N 1 2 347.462 2.295 20 30 EEEDLO C#CC[NH+]1CCN([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000760899148 577671646 /nfs/dbraw/zinc/67/16/46/577671646.db2.gz XVVLDSSSNHYMJD-NRFANRHFSA-N 1 2 347.462 2.295 20 30 EEEDLO Clc1ccc2nc(CN=Nc3ccc(-n4cc[nH+]c4)nn3)cn2c1 ZINC000761855900 577690157 /nfs/dbraw/zinc/69/01/57/577690157.db2.gz UNNNNNFHWZILKD-UHFFFAOYSA-N 1 2 338.762 2.409 20 30 EEEDLO O=[N+]([O-])c1ccc2[nH]cc(CN=Nc3ccc(-n4cc[nH+]c4)nn3)c2c1 ZINC000761854897 577690224 /nfs/dbraw/zinc/69/02/24/577690224.db2.gz JTWWYFXSDNKZGU-UHFFFAOYSA-N 1 2 348.326 2.498 20 30 EEEDLO COC(=O)[C@H](OC(=O)c1ccc2[nH+]ccn2c1)c1cccc(C#N)c1 ZINC000751662440 577757025 /nfs/dbraw/zinc/75/70/25/577757025.db2.gz KUOZPFGJLFCNSK-MRXNPFEDSA-N 1 2 335.319 2.277 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(OCCC(C)C)cc2)CC1 ZINC000754312758 577804430 /nfs/dbraw/zinc/80/44/30/577804430.db2.gz BLPSOXFRZTXZSB-UHFFFAOYSA-N 1 2 343.471 2.301 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000756461644 577844524 /nfs/dbraw/zinc/84/45/24/577844524.db2.gz PKBZDZMZIAYMSA-GFCCVEGCSA-N 1 2 343.362 2.483 20 30 EEEDLO C#CCNC(=O)[C@H](C)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000743855261 577890650 /nfs/dbraw/zinc/89/06/50/577890650.db2.gz IQUXPYUZPSCHKO-GJZGRUSLSA-N 1 2 333.863 2.157 20 30 EEEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000743855261 577890651 /nfs/dbraw/zinc/89/06/51/577890651.db2.gz IQUXPYUZPSCHKO-GJZGRUSLSA-N 1 2 333.863 2.157 20 30 EEEDLO CC(C)[C@@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)CCS1 ZINC000744422776 577897570 /nfs/dbraw/zinc/89/75/70/577897570.db2.gz TYFHBSNRMKMCNZ-INIZCTEOSA-N 1 2 342.468 2.493 20 30 EEEDLO CC(C)[C@@H]1C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)CCS1 ZINC000744422776 577897571 /nfs/dbraw/zinc/89/75/71/577897571.db2.gz TYFHBSNRMKMCNZ-INIZCTEOSA-N 1 2 342.468 2.493 20 30 EEEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)CC1 ZINC000735402638 578152393 /nfs/dbraw/zinc/15/23/93/578152393.db2.gz FADGMPXTRHAPOG-NSHDSACASA-N 1 2 330.392 2.056 20 30 EEEDLO C[C@@H](NC(=O)c1ccnc(F)c1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969381183 674920668 /nfs/dbraw/zinc/92/06/68/674920668.db2.gz LEMPWJZQNVCNEX-CYBMUJFWSA-N 1 2 338.386 2.343 20 30 EEEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC000969514094 675085251 /nfs/dbraw/zinc/08/52/51/675085251.db2.gz KILHYMHHULPGBI-LLVKDONJSA-N 1 2 343.818 2.185 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC000970446128 675901520 /nfs/dbraw/zinc/90/15/20/675901520.db2.gz AOLHPROKHSWYSN-WQVCFCJDSA-N 1 2 349.862 2.263 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC000970778532 676147320 /nfs/dbraw/zinc/14/73/20/676147320.db2.gz GZEIVXZEHZGSDA-NSHDSACASA-N 1 2 346.818 2.138 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2COc3ccccc3O2)C1 ZINC000970834312 676189095 /nfs/dbraw/zinc/18/90/95/676189095.db2.gz YCVCAJJJKHDSTR-MLGOLLRUSA-N 1 2 336.819 2.015 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cn3c(cccc3C)n2)C1 ZINC000970852964 676198235 /nfs/dbraw/zinc/19/82/35/676198235.db2.gz BFMLKMFNYJULFA-CYBMUJFWSA-N 1 2 332.835 2.445 20 30 EEEDLO C=C(C)C[NH+]1CC([C@H](C)NC(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC000969813256 675222669 /nfs/dbraw/zinc/22/26/69/675222669.db2.gz NPAYGTHGHMWOBL-ZDUSSCGKSA-N 1 2 325.416 2.098 20 30 EEEDLO C=CCCCC(=O)N(C)CCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001067450148 676208627 /nfs/dbraw/zinc/20/86/27/676208627.db2.gz HQQNNQHOQNSNQX-MRXNPFEDSA-N 1 2 334.464 2.497 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC000969832410 675240143 /nfs/dbraw/zinc/24/01/43/675240143.db2.gz UMAAIKBFXZYWJY-RDTXWAMCSA-N 1 2 332.448 2.315 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccnn2C(F)F)C1 ZINC000966358103 675618108 /nfs/dbraw/zinc/61/81/08/675618108.db2.gz PGEUMMYOYQLJJL-MWLCHTKSSA-N 1 2 332.782 2.471 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccnn2C(F)F)C1 ZINC000966358103 675618109 /nfs/dbraw/zinc/61/81/09/675618109.db2.gz PGEUMMYOYQLJJL-MWLCHTKSSA-N 1 2 332.782 2.471 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ncoc2[C@@H]2CCCO2)C1 ZINC000970264398 675754097 /nfs/dbraw/zinc/75/40/97/675754097.db2.gz HVZCGYWLKIITLK-AAEUAGOBSA-N 1 2 339.823 2.329 20 30 EEEDLO Cc1cccn2cc(CC(=O)N3CCCc4nc(C#N)ccc43)[nH+]c12 ZINC000892407066 679672693 /nfs/dbraw/zinc/67/26/93/679672693.db2.gz UKLHAGCHJLAJGV-UHFFFAOYSA-N 1 2 331.379 2.431 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccncc2F)C1 ZINC000971257563 676460885 /nfs/dbraw/zinc/46/08/85/676460885.db2.gz NTBCZISLCLPFQJ-NSHDSACASA-N 1 2 342.212 2.276 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2ccncc2F)C1 ZINC000971257563 676460886 /nfs/dbraw/zinc/46/08/86/676460886.db2.gz NTBCZISLCLPFQJ-NSHDSACASA-N 1 2 342.212 2.276 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000971289281 676471430 /nfs/dbraw/zinc/47/14/30/676471430.db2.gz RBFXHPXLFZVGIZ-MQYQWHSLSA-N 1 2 327.266 2.474 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000971289281 676471431 /nfs/dbraw/zinc/47/14/31/676471431.db2.gz RBFXHPXLFZVGIZ-MQYQWHSLSA-N 1 2 327.266 2.474 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(CC)c(CC)c3)C2)C1 ZINC000972702843 679687479 /nfs/dbraw/zinc/68/74/79/679687479.db2.gz NHSHQQMWRONPGY-NRFANRHFSA-N 1 2 340.467 2.362 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(CC)c(CC)c3)C2)C1 ZINC000972702843 679687480 /nfs/dbraw/zinc/68/74/80/679687480.db2.gz NHSHQQMWRONPGY-NRFANRHFSA-N 1 2 340.467 2.362 20 30 EEEDLO Cc1nocc1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000972222397 678416142 /nfs/dbraw/zinc/41/61/42/678416142.db2.gz MURAQQLTIYOCKD-INIZCTEOSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1nocc1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000972222397 678416146 /nfs/dbraw/zinc/41/61/46/678416146.db2.gz MURAQQLTIYOCKD-INIZCTEOSA-N 1 2 342.374 2.340 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cc(C)c(Cl)cn3)C2)C1 ZINC000972435518 678737570 /nfs/dbraw/zinc/73/75/70/678737570.db2.gz OCGHDILDYKJIBP-SFHVURJKSA-N 1 2 349.862 2.075 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cc(C)c(Cl)cn3)C2)C1 ZINC000972435518 678737574 /nfs/dbraw/zinc/73/75/74/678737574.db2.gz OCGHDILDYKJIBP-SFHVURJKSA-N 1 2 349.862 2.075 20 30 EEEDLO Cc1cc(F)c(C#N)c(Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000892322107 678793442 /nfs/dbraw/zinc/79/34/42/678793442.db2.gz JOJZBVXKAXOSGT-UHFFFAOYSA-N 1 2 329.379 2.278 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc4ncccc43)C2)C1 ZINC000972487931 678880970 /nfs/dbraw/zinc/88/09/70/678880970.db2.gz PIFISOGQIBJETJ-HXUWFJFHSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc4ncccc43)C2)C1 ZINC000972487931 678880972 /nfs/dbraw/zinc/88/09/72/678880972.db2.gz PIFISOGQIBJETJ-HXUWFJFHSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(F)c(F)cc3F)C2)C1 ZINC000972523395 679159910 /nfs/dbraw/zinc/15/99/10/679159910.db2.gz ITMCVSGRERIIKI-KRWDZBQOSA-N 1 2 340.345 2.207 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(F)c(F)cc3F)C2)C1 ZINC000972523395 679159911 /nfs/dbraw/zinc/15/99/11/679159911.db2.gz ITMCVSGRERIIKI-KRWDZBQOSA-N 1 2 340.345 2.207 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)cs2)C1 ZINC000972529195 679183718 /nfs/dbraw/zinc/18/37/18/679183718.db2.gz GTOQNXMLEAKOGW-VYDXJSESSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)cs2)C1 ZINC000972529195 679183721 /nfs/dbraw/zinc/18/37/21/679183721.db2.gz GTOQNXMLEAKOGW-VYDXJSESSA-N 1 2 349.500 2.465 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC(F)(F)C3)C2)C1 ZINC000972548369 679249029 /nfs/dbraw/zinc/24/90/29/679249029.db2.gz HZHWCQANUSRTQF-RDJZCZTQSA-N 1 2 340.414 2.139 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC(F)(F)C3)C2)C1 ZINC000972548369 679249030 /nfs/dbraw/zinc/24/90/30/679249030.db2.gz HZHWCQANUSRTQF-RDJZCZTQSA-N 1 2 340.414 2.139 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)c3ccccc3C)C2)C1 ZINC000972580692 679346049 /nfs/dbraw/zinc/34/60/49/679346049.db2.gz AIOKRMCWRRJODI-WIYYLYMNSA-N 1 2 340.467 2.425 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)c3ccccc3C)C2)C1 ZINC000972580692 679346051 /nfs/dbraw/zinc/34/60/51/679346051.db2.gz AIOKRMCWRRJODI-WIYYLYMNSA-N 1 2 340.467 2.425 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccc(CC)cc3)C2)C1 ZINC000972599722 679402881 /nfs/dbraw/zinc/40/28/81/679402881.db2.gz XZPMGTCGRZGAGS-DYESRHJHSA-N 1 2 340.467 2.289 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccc(CC)cc3)C2)C1 ZINC000972599722 679402883 /nfs/dbraw/zinc/40/28/83/679402883.db2.gz XZPMGTCGRZGAGS-DYESRHJHSA-N 1 2 340.467 2.289 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3coc(C4CCCC4)n3)C2)C1 ZINC000972616603 679429230 /nfs/dbraw/zinc/42/92/30/679429230.db2.gz BMHGCVDOTIVBDE-LJQANCHMSA-N 1 2 345.443 2.435 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3coc(C4CCCC4)n3)C2)C1 ZINC000972616603 679429231 /nfs/dbraw/zinc/42/92/31/679429231.db2.gz BMHGCVDOTIVBDE-LJQANCHMSA-N 1 2 345.443 2.435 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4ccn(C)c4c3)C2)C1 ZINC000972626427 679450692 /nfs/dbraw/zinc/45/06/92/679450692.db2.gz CPHGVKPOYQRKHI-FQEVSTJZSA-N 1 2 339.439 2.281 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4ccn(C)c4c3)C2)C1 ZINC000972626427 679450695 /nfs/dbraw/zinc/45/06/95/679450695.db2.gz CPHGVKPOYQRKHI-FQEVSTJZSA-N 1 2 339.439 2.281 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3oc(CCC)nc3C)C2)C1 ZINC000972638561 679477626 /nfs/dbraw/zinc/47/76/26/679477626.db2.gz LSZYGRNYMLOKOC-SFHVURJKSA-N 1 2 333.432 2.038 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3oc(CCC)nc3C)C2)C1 ZINC000972638561 679477627 /nfs/dbraw/zinc/47/76/27/679477627.db2.gz LSZYGRNYMLOKOC-SFHVURJKSA-N 1 2 333.432 2.038 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc4c3CCC4)C2)C1 ZINC000972693236 679615589 /nfs/dbraw/zinc/61/55/89/679615589.db2.gz XASPGDXVRWNAIX-OAQYLSRUSA-N 1 2 338.451 2.116 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc4c3CCC4)C2)C1 ZINC000972693236 679615591 /nfs/dbraw/zinc/61/55/91/679615591.db2.gz XASPGDXVRWNAIX-OAQYLSRUSA-N 1 2 338.451 2.116 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3nc(C)c(C)o3)C2)cn1 ZINC000972756292 679749482 /nfs/dbraw/zinc/74/94/82/679749482.db2.gz LFILDOMBUVXROT-KRWDZBQOSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3nc(C)c(C)o3)C2)cn1 ZINC000972756292 679749483 /nfs/dbraw/zinc/74/94/83/679749483.db2.gz LFILDOMBUVXROT-KRWDZBQOSA-N 1 2 338.411 2.014 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cn[nH]c1 ZINC000972835934 679814096 /nfs/dbraw/zinc/81/40/96/679814096.db2.gz VAEPBPVADROCJG-MRXNPFEDSA-N 1 2 341.390 2.061 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cn[nH]c1 ZINC000972835934 679814097 /nfs/dbraw/zinc/81/40/97/679814097.db2.gz VAEPBPVADROCJG-MRXNPFEDSA-N 1 2 341.390 2.061 20 30 EEEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)c1cocn1 ZINC000972864068 679826000 /nfs/dbraw/zinc/82/60/00/679826000.db2.gz UCBRHXWBUMXVDS-INIZCTEOSA-N 1 2 342.374 2.326 20 30 EEEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)c1cocn1 ZINC000972864068 679826001 /nfs/dbraw/zinc/82/60/01/679826001.db2.gz UCBRHXWBUMXVDS-INIZCTEOSA-N 1 2 342.374 2.326 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C(N)=O)cc1 ZINC001024795770 681450303 /nfs/dbraw/zinc/45/03/03/681450303.db2.gz SIQWGEVQBJTBJY-HNNXBMFYSA-N 1 2 335.835 2.122 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C(N)=O)cc1 ZINC001024795770 681450304 /nfs/dbraw/zinc/45/03/04/681450304.db2.gz SIQWGEVQBJTBJY-HNNXBMFYSA-N 1 2 335.835 2.122 20 30 EEEDLO C=C(Cl)CN1CC[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001028682192 681815562 /nfs/dbraw/zinc/81/55/62/681815562.db2.gz GTUMSHLUPTWPBH-CQSZACIVSA-N 1 2 345.834 2.072 20 30 EEEDLO Cc1csc(C[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)n1 ZINC000973011116 681841713 /nfs/dbraw/zinc/84/17/13/681841713.db2.gz PKIVMOCTPSXJEJ-CQSZACIVSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1csc(C[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)n1 ZINC000973011116 681841719 /nfs/dbraw/zinc/84/17/19/681841719.db2.gz PKIVMOCTPSXJEJ-CQSZACIVSA-N 1 2 343.456 2.292 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C(C)(C)C1 ZINC000974845719 685618551 /nfs/dbraw/zinc/61/85/51/685618551.db2.gz KWWDCFGKQVGOCW-ILXRZTDVSA-N 1 2 326.868 2.381 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C(C)(C)C1 ZINC000974845719 685618555 /nfs/dbraw/zinc/61/85/55/685618555.db2.gz KWWDCFGKQVGOCW-ILXRZTDVSA-N 1 2 326.868 2.381 20 30 EEEDLO C=C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1)c1ccccc1 ZINC001019804926 683455362 /nfs/dbraw/zinc/45/53/62/683455362.db2.gz MQXLINLDPNMNJF-HOTGVXAUSA-N 1 2 326.400 2.038 20 30 EEEDLO O=C(N[C@H]1C[C@H]([NH2+]Cc2c(F)c(F)c(F)c(F)c2F)C1)C(F)F ZINC001019912539 683492293 /nfs/dbraw/zinc/49/22/93/683492293.db2.gz FFMVTEYGMJEKED-URHBZAFASA-N 1 2 344.230 2.384 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)n[nH]1 ZINC001029226889 683605978 /nfs/dbraw/zinc/60/59/78/683605978.db2.gz CZEOPZYIRRIPQV-CALCHBBNSA-N 1 2 335.411 2.079 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)n[nH]1 ZINC001029226889 683605983 /nfs/dbraw/zinc/60/59/83/683605983.db2.gz CZEOPZYIRRIPQV-CALCHBBNSA-N 1 2 335.411 2.079 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cnccn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000992985086 683714981 /nfs/dbraw/zinc/71/49/81/683714981.db2.gz WLGDUZPFEBHMNP-WMLDXEAASA-N 1 2 335.411 2.131 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cnccn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000992985086 683714986 /nfs/dbraw/zinc/71/49/86/683714986.db2.gz WLGDUZPFEBHMNP-WMLDXEAASA-N 1 2 335.411 2.131 20 30 EEEDLO CC(=O)N1CCC(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000329005985 683910160 /nfs/dbraw/zinc/91/01/60/683910160.db2.gz XPNVKMXARAZTPU-CZUORRHYSA-N 1 2 330.432 2.121 20 30 EEEDLO COc1cccc(-c2csc(C[NH2+][C@@H]3CCCN(O)C3=O)n2)c1 ZINC000895198269 684279295 /nfs/dbraw/zinc/27/92/95/684279295.db2.gz ZQRVMTMMOBDWMT-CYBMUJFWSA-N 1 2 333.413 2.289 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)CC2(C)C)nn1 ZINC000974596978 685112510 /nfs/dbraw/zinc/11/25/10/685112510.db2.gz LFKJDSBGPOEQDX-GOSISDBHSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC2(C)C)nn1 ZINC000974596978 685112512 /nfs/dbraw/zinc/11/25/12/685112512.db2.gz LFKJDSBGPOEQDX-GOSISDBHSA-N 1 2 349.438 2.297 20 30 EEEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCc2cc(C#N)ccc2F)[nH]n1 ZINC000896693294 685186423 /nfs/dbraw/zinc/18/64/23/685186423.db2.gz KMCIDZROOXGFQG-MRXNPFEDSA-N 1 2 327.363 2.117 20 30 EEEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCc2cc(C#N)ccc2F)[nH]n1 ZINC000896693294 685186431 /nfs/dbraw/zinc/18/64/31/685186431.db2.gz KMCIDZROOXGFQG-MRXNPFEDSA-N 1 2 327.363 2.117 20 30 EEEDLO C[C@@H](c1csnn1)[N@H+](C)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000985368948 686427596 /nfs/dbraw/zinc/42/75/96/686427596.db2.gz XNUXOSBPNDHTTI-NSHDSACASA-N 1 2 344.444 2.035 20 30 EEEDLO C[C@@H](c1csnn1)[N@@H+](C)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000985368948 686427601 /nfs/dbraw/zinc/42/76/01/686427601.db2.gz XNUXOSBPNDHTTI-NSHDSACASA-N 1 2 344.444 2.035 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1ncccc1F ZINC001008978994 686630708 /nfs/dbraw/zinc/63/07/08/686630708.db2.gz HJQPVRHXETVHMN-QGZVFWFLSA-N 1 2 337.398 2.467 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1ncccc1F ZINC001008978994 686630711 /nfs/dbraw/zinc/63/07/11/686630711.db2.gz HJQPVRHXETVHMN-QGZVFWFLSA-N 1 2 337.398 2.467 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000938267200 694113937 /nfs/dbraw/zinc/11/39/37/694113937.db2.gz PZRHJBROAXUHHY-LIRRHRJNSA-N 1 2 340.427 2.267 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000947705080 694224106 /nfs/dbraw/zinc/22/41/06/694224106.db2.gz OSYAZZPQRTYQEB-UHFFFAOYSA-N 1 2 346.475 2.246 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCCCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000987144090 689417386 /nfs/dbraw/zinc/41/73/86/689417386.db2.gz GYFOYIQXLHJESV-KXBFYZLASA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)n1C ZINC001027744133 694293044 /nfs/dbraw/zinc/29/30/44/694293044.db2.gz YGJDBQLMKPFUHG-ZDUSSCGKSA-N 1 2 340.265 2.436 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)n1C ZINC001027744133 694293046 /nfs/dbraw/zinc/29/30/46/694293046.db2.gz YGJDBQLMKPFUHG-ZDUSSCGKSA-N 1 2 340.265 2.436 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@]2(NC(=O)c3cn[nH]c3)CCC[C@@H]12 ZINC000989973074 692544715 /nfs/dbraw/zinc/54/47/15/692544715.db2.gz DKRGXIJVWZDHGC-OCCSQVGLSA-N 1 2 339.237 2.045 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@]2(NC(=O)c3cn[nH]c3)CCC[C@@H]12 ZINC000989973074 692544720 /nfs/dbraw/zinc/54/47/20/692544720.db2.gz DKRGXIJVWZDHGC-OCCSQVGLSA-N 1 2 339.237 2.045 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)Cc2cn(CC3CC3)nn2)C1 ZINC001027522323 692617901 /nfs/dbraw/zinc/61/79/01/692617901.db2.gz WAYFCNFLWCEKIF-KRWDZBQOSA-N 1 2 345.491 2.323 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2cn(CC3CC3)nn2)C1 ZINC001027522323 692617902 /nfs/dbraw/zinc/61/79/02/692617902.db2.gz WAYFCNFLWCEKIF-KRWDZBQOSA-N 1 2 345.491 2.323 20 30 EEEDLO Cc1cc(C[N@@H+]2CC[C@@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@H]23)no1 ZINC000990165769 692710990 /nfs/dbraw/zinc/71/09/90/692710990.db2.gz XZMHGUQZTMYZGJ-WMZOPIPTSA-N 1 2 339.399 2.110 20 30 EEEDLO Cc1cc(C[N@H+]2CC[C@@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@H]23)no1 ZINC000990165769 692710994 /nfs/dbraw/zinc/71/09/94/692710994.db2.gz XZMHGUQZTMYZGJ-WMZOPIPTSA-N 1 2 339.399 2.110 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH]nc3C2)C(C)(C)C1 ZINC000977609154 692819534 /nfs/dbraw/zinc/81/95/34/692819534.db2.gz BHPULDYYELCCDL-IUODEOHRSA-N 1 2 336.867 2.094 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH]nc3C2)C(C)(C)C1 ZINC000977609154 692819538 /nfs/dbraw/zinc/81/95/38/692819538.db2.gz BHPULDYYELCCDL-IUODEOHRSA-N 1 2 336.867 2.094 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001060068355 693287343 /nfs/dbraw/zinc/28/73/43/693287343.db2.gz VNGONXQGVDSAHX-MRXNPFEDSA-N 1 2 346.475 2.230 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000978378799 693547937 /nfs/dbraw/zinc/54/79/37/693547937.db2.gz KQVFHERIAITHRE-KGLIPLIRSA-N 1 2 344.459 2.101 20 30 EEEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)c(F)c1F)CC2 ZINC001272724483 1192276256 /nfs/dbraw/zinc/27/62/56/1192276256.db2.gz JDOQAXQNDVNZAL-ZDUSSCGKSA-N 1 2 334.366 2.022 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCCCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000943505650 1192316865 /nfs/dbraw/zinc/31/68/65/1192316865.db2.gz KGEKDWSFALVDJU-MRXNPFEDSA-N 1 2 344.459 2.196 20 30 EEEDLO CCc1nc(C)c(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)o1 ZINC001032104815 1192535962 /nfs/dbraw/zinc/53/59/62/1192535962.db2.gz ZTPQEKDREMGFLS-UHFFFAOYSA-N 1 2 337.423 2.259 20 30 EEEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(F)cc3F)C2)cn1 ZINC001032136486 1192767071 /nfs/dbraw/zinc/76/70/71/1192767071.db2.gz AHYMYVPRLKEQSP-UHFFFAOYSA-N 1 2 341.361 2.203 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnn(-c2cccnc2)c1 ZINC001480979172 1179415496 /nfs/dbraw/zinc/41/54/96/1179415496.db2.gz ZGWBZXOYYZXLHF-UHFFFAOYSA-N 1 2 333.823 2.072 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnn(-c2cccnc2)c1 ZINC001480979172 1179415499 /nfs/dbraw/zinc/41/54/99/1179415499.db2.gz ZGWBZXOYYZXLHF-UHFFFAOYSA-N 1 2 333.823 2.072 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2c[nH]c3ncccc23)C1 ZINC001032194343 1192974466 /nfs/dbraw/zinc/97/44/66/1192974466.db2.gz PNWVLGGAVNLFDX-UHFFFAOYSA-N 1 2 345.406 2.296 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccco2)C1 ZINC001267748329 1180393364 /nfs/dbraw/zinc/39/33/64/1180393364.db2.gz VYTBLIXDCKPSGV-HUUCEWRRSA-N 1 2 333.432 2.004 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccco2)C1 ZINC001267748329 1180393370 /nfs/dbraw/zinc/39/33/70/1180393370.db2.gz VYTBLIXDCKPSGV-HUUCEWRRSA-N 1 2 333.432 2.004 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CCC(=O)N(CC)CC)C1 ZINC001481782610 1182695297 /nfs/dbraw/zinc/69/52/97/1182695297.db2.gz RDDWMRWLSLXSGM-OAHLLOKOSA-N 1 2 343.899 2.310 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCC(=O)N(CC)CC)C1 ZINC001481782610 1182695299 /nfs/dbraw/zinc/69/52/99/1182695299.db2.gz RDDWMRWLSLXSGM-OAHLLOKOSA-N 1 2 343.899 2.310 20 30 EEEDLO CCC#CC(=O)N1CCC2(C[NH+](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC001268951321 1183845617 /nfs/dbraw/zinc/84/56/17/1183845617.db2.gz LYFCYVJJDCPAOJ-UHFFFAOYSA-N 1 2 336.439 2.401 20 30 EEEDLO N#C[C@@H](Cc1cccs1)C(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001270389661 1185068104 /nfs/dbraw/zinc/06/81/04/1185068104.db2.gz VLMGTZGLXNCKHE-CQSZACIVSA-N 1 2 340.452 2.103 20 30 EEEDLO CCn1ccnc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(C#N)c1 ZINC001271497226 1186276363 /nfs/dbraw/zinc/27/63/63/1186276363.db2.gz KIBXZNGBRRUYPY-ROUUACIJSA-N 1 2 349.438 2.264 20 30 EEEDLO CCn1ccnc1C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(C#N)c1 ZINC001271497226 1186276369 /nfs/dbraw/zinc/27/63/69/1186276369.db2.gz KIBXZNGBRRUYPY-ROUUACIJSA-N 1 2 349.438 2.264 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCCC[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001088360437 1186679448 /nfs/dbraw/zinc/67/94/48/1186679448.db2.gz ZCPYNQBJTYOPJR-AWEZNQCLSA-N 1 2 349.479 2.209 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1cccc(Cl)n1 ZINC001088513543 1187115716 /nfs/dbraw/zinc/11/57/16/1187115716.db2.gz XGVJWWROEPIDTC-RISCZKNCSA-N 1 2 343.818 2.328 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1cccc(Cl)n1 ZINC001088513543 1187115718 /nfs/dbraw/zinc/11/57/18/1187115718.db2.gz XGVJWWROEPIDTC-RISCZKNCSA-N 1 2 343.818 2.328 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)cs1 ZINC001088522713 1187150785 /nfs/dbraw/zinc/15/07/85/1187150785.db2.gz BPJGJBLECZSEMF-YGRLFVJLSA-N 1 2 329.429 2.044 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)cs1 ZINC001088522713 1187150787 /nfs/dbraw/zinc/15/07/87/1187150787.db2.gz BPJGJBLECZSEMF-YGRLFVJLSA-N 1 2 329.429 2.044 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1ccc2c(c1)OCCO2 ZINC001482648018 1187478115 /nfs/dbraw/zinc/47/81/15/1187478115.db2.gz XKWRLRJQEULBGZ-UHFFFAOYSA-N 1 2 338.835 2.143 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1ccc2c(c1)OCCO2 ZINC001482648018 1187478116 /nfs/dbraw/zinc/47/81/16/1187478116.db2.gz XKWRLRJQEULBGZ-UHFFFAOYSA-N 1 2 338.835 2.143 20 30 EEEDLO Cc1cnoc1C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001076421961 1188904603 /nfs/dbraw/zinc/90/46/03/1188904603.db2.gz PUGPJRCLJYEAAX-DLBZAZTESA-N 1 2 336.395 2.201 20 30 EEEDLO Cc1cnoc1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001076421961 1188904608 /nfs/dbraw/zinc/90/46/08/1188904608.db2.gz PUGPJRCLJYEAAX-DLBZAZTESA-N 1 2 336.395 2.201 20 30 EEEDLO C=CCN1CC2(CCC1=O)CC[NH+](Cc1c(N)ncnc1Cl)CC2 ZINC001272903438 1193598114 /nfs/dbraw/zinc/59/81/14/1193598114.db2.gz UDFXIUGYRGAALR-UHFFFAOYSA-N 1 2 349.866 2.103 20 30 EEEDLO C=C(C)CCC(=O)NCC[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001076798514 1189168305 /nfs/dbraw/zinc/16/83/05/1189168305.db2.gz FADYYDVCDKIAEK-HNNXBMFYSA-N 1 2 346.475 2.129 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001105688839 1189336178 /nfs/dbraw/zinc/33/61/78/1189336178.db2.gz IHLWQKYDAZDJLZ-KGLIPLIRSA-N 1 2 346.479 2.155 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)nc1 ZINC001105693449 1189561621 /nfs/dbraw/zinc/56/16/21/1189561621.db2.gz GBLRIESASQPXLW-GDBMZVCRSA-N 1 2 338.415 2.006 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCC[C@H]2NC(=O)CCc2c[nH+]c[nH]2)nc1 ZINC001105693449 1189561624 /nfs/dbraw/zinc/56/16/24/1189561624.db2.gz GBLRIESASQPXLW-GDBMZVCRSA-N 1 2 338.415 2.006 20 30 EEEDLO CCCCCCC[N@@H+]1C[C@]2(F)CN(CC(OC)OC)C(=O)[C@]2(F)C1 ZINC001272477205 1190842436 /nfs/dbraw/zinc/84/24/36/1190842436.db2.gz WKDOUPDXNIUSPU-DLBZAZTESA-N 1 2 348.434 2.150 20 30 EEEDLO CCCCCCC[N@H+]1C[C@]2(F)CN(CC(OC)OC)C(=O)[C@]2(F)C1 ZINC001272477205 1190842438 /nfs/dbraw/zinc/84/24/38/1190842438.db2.gz WKDOUPDXNIUSPU-DLBZAZTESA-N 1 2 348.434 2.150 20 30 EEEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1c(O)cccc1Cl)C2 ZINC001273106817 1194390695 /nfs/dbraw/zinc/39/06/95/1194390695.db2.gz LRQBADLBPUGLJI-UHFFFAOYSA-N 1 2 336.819 2.035 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001108107170 1194489472 /nfs/dbraw/zinc/48/94/72/1194489472.db2.gz RZMJVLOERLKWJR-OAHLLOKOSA-N 1 2 344.242 2.166 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001108107170 1194489469 /nfs/dbraw/zinc/48/94/69/1194489469.db2.gz RZMJVLOERLKWJR-OAHLLOKOSA-N 1 2 344.242 2.166 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)c2cocn2)CC1 ZINC001005161957 1194637719 /nfs/dbraw/zinc/63/77/19/1194637719.db2.gz DOMPUVDJMIIPMV-UHFFFAOYSA-N 1 2 328.210 2.120 20 30 EEEDLO Cc1nc(C[NH+]2CCC(N(C)C(=O)c3c[nH]c(C#N)c3)CC2)oc1C ZINC001005260796 1195003550 /nfs/dbraw/zinc/00/35/50/1195003550.db2.gz RHIGHJRITFVUIN-UHFFFAOYSA-N 1 2 341.415 2.228 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnc3[nH]cnc3c2)C1 ZINC001033846961 1195378259 /nfs/dbraw/zinc/37/82/59/1195378259.db2.gz RZKFQCQXLZUSLO-ZDUSSCGKSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnc3[nH]cnc3c2)C1 ZINC001033846961 1195378264 /nfs/dbraw/zinc/37/82/64/1195378264.db2.gz RZKFQCQXLZUSLO-ZDUSSCGKSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ncnc3[nH]ccc32)C1 ZINC001033882653 1195439136 /nfs/dbraw/zinc/43/91/36/1195439136.db2.gz DLTMNEMLORWRIT-LBPRGKRZSA-N 1 2 333.823 2.198 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ncnc3[nH]ccc32)C1 ZINC001033882653 1195439139 /nfs/dbraw/zinc/43/91/39/1195439139.db2.gz DLTMNEMLORWRIT-LBPRGKRZSA-N 1 2 333.823 2.198 20 30 EEEDLO Cc1nc(NCCCC[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)ccc1C#N ZINC001090157364 1195507834 /nfs/dbraw/zinc/50/78/34/1195507834.db2.gz SXPIGZKORHZWJT-CYBMUJFWSA-N 1 2 340.431 2.314 20 30 EEEDLO Cc1ccc(C#N)c(NCCCC[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001090157904 1195508880 /nfs/dbraw/zinc/50/88/80/1195508880.db2.gz YVASSTNGCYIUIQ-CYBMUJFWSA-N 1 2 340.431 2.314 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc3nnn(C)c32)C1 ZINC001034056920 1195689583 /nfs/dbraw/zinc/68/95/83/1195689583.db2.gz ORUQNWUDRHYSPJ-CYBMUJFWSA-N 1 2 347.850 2.257 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc3nnn(C)c32)C1 ZINC001034056920 1195689588 /nfs/dbraw/zinc/68/95/88/1195689588.db2.gz ORUQNWUDRHYSPJ-CYBMUJFWSA-N 1 2 347.850 2.257 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnc3ccsc3c2)C1 ZINC001108120084 1195903187 /nfs/dbraw/zinc/90/31/87/1195903187.db2.gz WAQZYHNTPQQZCQ-GOSISDBHSA-N 1 2 343.452 2.140 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnc3ccsc3c2)C1 ZINC001108120084 1195903191 /nfs/dbraw/zinc/90/31/91/1195903191.db2.gz WAQZYHNTPQQZCQ-GOSISDBHSA-N 1 2 343.452 2.140 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnn3ccncc23)C1 ZINC001034249988 1195984088 /nfs/dbraw/zinc/98/40/88/1195984088.db2.gz IODHDWFACGRBJY-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnn3ccncc23)C1 ZINC001034249988 1195984091 /nfs/dbraw/zinc/98/40/91/1195984091.db2.gz IODHDWFACGRBJY-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(N(C)C)nc2)C1 ZINC001034283121 1196045912 /nfs/dbraw/zinc/04/59/12/1196045912.db2.gz QNOFTTDHKBQYIT-OAHLLOKOSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(N(C)C)nc2)C1 ZINC001034283121 1196045919 /nfs/dbraw/zinc/04/59/19/1196045919.db2.gz QNOFTTDHKBQYIT-OAHLLOKOSA-N 1 2 336.867 2.484 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+]([C@H](C)c3ncccn3)C2)cn1 ZINC001034492503 1196281799 /nfs/dbraw/zinc/28/17/99/1196281799.db2.gz GBLXIYQZOOWVAD-QAPCUYQASA-N 1 2 349.438 2.198 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+]([C@H](C)c3ncccn3)C2)cn1 ZINC001034492503 1196281804 /nfs/dbraw/zinc/28/18/04/1196281804.db2.gz GBLXIYQZOOWVAD-QAPCUYQASA-N 1 2 349.438 2.198 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CCCC[N@H+](Cc2ccon2)C1 ZINC001034505141 1196307179 /nfs/dbraw/zinc/30/71/79/1196307179.db2.gz GSAXJVMSWWPCRD-SFHVURJKSA-N 1 2 337.423 2.369 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CCCC[N@@H+](Cc2ccon2)C1 ZINC001034505141 1196307181 /nfs/dbraw/zinc/30/71/81/1196307181.db2.gz GSAXJVMSWWPCRD-SFHVURJKSA-N 1 2 337.423 2.369 20 30 EEEDLO CC1(C(=O)NC[C@]2(C)C[N@H+](Cc3ccc(C#N)cc3)CCO2)CCC1 ZINC001108128836 1196316277 /nfs/dbraw/zinc/31/62/77/1196316277.db2.gz MMFPBRHKWHZSTN-HXUWFJFHSA-N 1 2 341.455 2.456 20 30 EEEDLO CC1(C(=O)NC[C@]2(C)C[N@@H+](Cc3ccc(C#N)cc3)CCO2)CCC1 ZINC001108128836 1196316281 /nfs/dbraw/zinc/31/62/81/1196316281.db2.gz MMFPBRHKWHZSTN-HXUWFJFHSA-N 1 2 341.455 2.456 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H](Nc2[nH+]cnc3c2cnn3C)[C@@H]1C ZINC001090239501 1196541343 /nfs/dbraw/zinc/54/13/43/1196541343.db2.gz QADZDKHQXZNPKC-IPYPFGDCSA-N 1 2 342.447 2.367 20 30 EEEDLO CCOc1ccncc1C[N@@H+]1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001273199549 1197486028 /nfs/dbraw/zinc/48/60/28/1197486028.db2.gz IVTXKHNVAXWAOJ-IBGZPJMESA-N 1 2 342.443 2.351 20 30 EEEDLO CCOc1ccncc1C[N@H+]1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001273199549 1197486030 /nfs/dbraw/zinc/48/60/30/1197486030.db2.gz IVTXKHNVAXWAOJ-IBGZPJMESA-N 1 2 342.443 2.351 20 30 EEEDLO C#CC[C@@H](CCOC)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000863780613 1197867517 /nfs/dbraw/zinc/86/75/17/1197867517.db2.gz FEYKYEVPDMUMRE-DLBZAZTESA-N 1 2 325.412 2.476 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC3(F)F)C2)c(F)c1 ZINC001014889955 1224498742 /nfs/dbraw/zinc/49/87/42/1224498742.db2.gz LIJCOEKSUQBYFZ-ZIAGYGMSSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC3(F)F)C2)c(F)c1 ZINC001014889955 1224498744 /nfs/dbraw/zinc/49/87/44/1224498744.db2.gz LIJCOEKSUQBYFZ-ZIAGYGMSSA-N 1 2 337.345 2.433 20 30 EEEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000874709212 1198958824 /nfs/dbraw/zinc/95/88/24/1198958824.db2.gz YYJHEXPXEDKQDN-QGZVFWFLSA-N 1 2 347.434 2.202 20 30 EEEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000874709212 1198958829 /nfs/dbraw/zinc/95/88/29/1198958829.db2.gz YYJHEXPXEDKQDN-QGZVFWFLSA-N 1 2 347.434 2.202 20 30 EEEDLO Cc1ncsc1CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000809995239 1199187938 /nfs/dbraw/zinc/18/79/38/1199187938.db2.gz ODAPJAIFOOIQKF-UHFFFAOYSA-N 1 2 346.456 2.121 20 30 EEEDLO COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)C#CC(C)C)CC[C@@H]1C ZINC001132017007 1199212819 /nfs/dbraw/zinc/21/28/19/1199212819.db2.gz LXYDDBKWZQHMAR-RDJZCZTQSA-N 1 2 329.444 2.219 20 30 EEEDLO COc1ncccc1C[N@H+]1C[C@@H](NC(=O)C#CC(C)C)CC[C@@H]1C ZINC001132017007 1199212823 /nfs/dbraw/zinc/21/28/23/1199212823.db2.gz LXYDDBKWZQHMAR-RDJZCZTQSA-N 1 2 329.444 2.219 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001132042523 1199227183 /nfs/dbraw/zinc/22/71/83/1199227183.db2.gz VRGILVNVCUCYLA-GDBMZVCRSA-N 1 2 349.862 2.244 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(Cl)n2)C1 ZINC001132042523 1199227187 /nfs/dbraw/zinc/22/71/87/1199227187.db2.gz VRGILVNVCUCYLA-GDBMZVCRSA-N 1 2 349.862 2.244 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001132071780 1199263439 /nfs/dbraw/zinc/26/34/39/1199263439.db2.gz FRRZTXSDVBIIGM-CABCVRRESA-N 1 2 348.443 2.474 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001132071780 1199263443 /nfs/dbraw/zinc/26/34/43/1199263443.db2.gz FRRZTXSDVBIIGM-CABCVRRESA-N 1 2 348.443 2.474 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(COC)CCOCC2)CC[C@@H]1C ZINC001132101030 1199292930 /nfs/dbraw/zinc/29/29/30/1199292930.db2.gz GCAWYFFGLKZXTJ-LSDHHAIUSA-N 1 2 344.883 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(COC)CCOCC2)CC[C@@H]1C ZINC001132101030 1199292932 /nfs/dbraw/zinc/29/29/32/1199292932.db2.gz GCAWYFFGLKZXTJ-LSDHHAIUSA-N 1 2 344.883 2.151 20 30 EEEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cnnn2CC)C1 ZINC001132227361 1199467488 /nfs/dbraw/zinc/46/74/88/1199467488.db2.gz BYAUAKBZCJRQHO-IRXDYDNUSA-N 1 2 345.491 2.351 20 30 EEEDLO C#CCCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cnnn2CC)C1 ZINC001132227361 1199467493 /nfs/dbraw/zinc/46/74/93/1199467493.db2.gz BYAUAKBZCJRQHO-IRXDYDNUSA-N 1 2 345.491 2.351 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nccn2C)C1 ZINC001132228784 1199469752 /nfs/dbraw/zinc/46/97/52/1199469752.db2.gz WJIUEYMCQSHLMY-IAGOWNOFSA-N 1 2 330.476 2.473 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nccn2C)C1 ZINC001132228784 1199469757 /nfs/dbraw/zinc/46/97/57/1199469757.db2.gz WJIUEYMCQSHLMY-IAGOWNOFSA-N 1 2 330.476 2.473 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2occc2C(C)C)CC[C@@H]1C ZINC001132236019 1199483281 /nfs/dbraw/zinc/48/32/81/1199483281.db2.gz WYKGRAJGNGKYRQ-LSDHHAIUSA-N 1 2 347.459 2.288 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2occc2C(C)C)CC[C@@H]1C ZINC001132236019 1199483284 /nfs/dbraw/zinc/48/32/84/1199483284.db2.gz WYKGRAJGNGKYRQ-LSDHHAIUSA-N 1 2 347.459 2.288 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCCCC)C1 ZINC001132332019 1199579658 /nfs/dbraw/zinc/57/96/58/1199579658.db2.gz QYLYYQBGNKCWDE-JKSUJKDBSA-N 1 2 337.508 2.474 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCCCC)C1 ZINC001132332019 1199579660 /nfs/dbraw/zinc/57/96/60/1199579660.db2.gz QYLYYQBGNKCWDE-JKSUJKDBSA-N 1 2 337.508 2.474 20 30 EEEDLO C=C(Br)CN1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014938858 1224559085 /nfs/dbraw/zinc/55/90/85/1224559085.db2.gz XHWFPHVGYJAYBH-GFCCVEGCSA-N 1 2 349.232 2.276 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cc2c[nH]ccc-2n1 ZINC001014941049 1224561252 /nfs/dbraw/zinc/56/12/52/1224561252.db2.gz MCTKKHPENAFGGF-SFHVURJKSA-N 1 2 344.418 2.419 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cc2c[nH]ccc-2n1 ZINC001014941049 1224561257 /nfs/dbraw/zinc/56/12/57/1224561257.db2.gz MCTKKHPENAFGGF-SFHVURJKSA-N 1 2 344.418 2.419 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(CC)o2)CC[C@H]1C ZINC001132419578 1199669161 /nfs/dbraw/zinc/66/91/61/1199669161.db2.gz DZICJHUWSPTQPR-CABCVRRESA-N 1 2 347.459 2.035 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2cc(C)c(CC)o2)CC[C@H]1C ZINC001132419578 1199669166 /nfs/dbraw/zinc/66/91/66/1199669166.db2.gz DZICJHUWSPTQPR-CABCVRRESA-N 1 2 347.459 2.035 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)c(C)[nH+]1 ZINC001011739018 1224562735 /nfs/dbraw/zinc/56/27/35/1224562735.db2.gz MKVYSEXIIDYLRD-DOTOQJQBSA-N 1 2 339.439 2.139 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2sccc2CC)CC[C@@H]1C ZINC001132503658 1199785688 /nfs/dbraw/zinc/78/56/88/1199785688.db2.gz CPXWCXQYANJSBM-DZGCQCFKSA-N 1 2 349.500 2.195 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2sccc2CC)CC[C@@H]1C ZINC001132503658 1199785691 /nfs/dbraw/zinc/78/56/91/1199785691.db2.gz CPXWCXQYANJSBM-DZGCQCFKSA-N 1 2 349.500 2.195 20 30 EEEDLO C#CC[NH2+]C[C@@H]1CN(C(=O)c2c(Cl)[nH]nc2C2CC2)CC[C@@H]1C ZINC001132877990 1200142839 /nfs/dbraw/zinc/14/28/39/1200142839.db2.gz FOLOBQXUMIPSBE-WCQYABFASA-N 1 2 334.851 2.262 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)cc1O ZINC000869813951 1200296645 /nfs/dbraw/zinc/29/66/45/1200296645.db2.gz BINUFQNMLQVQSU-UHFFFAOYSA-N 1 2 333.391 2.222 20 30 EEEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000812021004 1200454213 /nfs/dbraw/zinc/45/42/13/1200454213.db2.gz QLNWHJIXGVLKMQ-XJKSGUPXSA-N 1 2 335.835 2.034 20 30 EEEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000812021004 1200454215 /nfs/dbraw/zinc/45/42/15/1200454215.db2.gz QLNWHJIXGVLKMQ-XJKSGUPXSA-N 1 2 335.835 2.034 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000870156499 1200519569 /nfs/dbraw/zinc/51/95/69/1200519569.db2.gz WSGWKAXTQXGHLH-INIZCTEOSA-N 1 2 332.444 2.321 20 30 EEEDLO CC(C)Oc1ccccc1C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001137139324 1200767372 /nfs/dbraw/zinc/76/73/72/1200767372.db2.gz QCYVHTYABWHPJX-UHFFFAOYSA-N 1 2 337.427 2.458 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H](C)C(C)(C)C)C2)CC1 ZINC001018367529 1224651866 /nfs/dbraw/zinc/65/18/66/1224651866.db2.gz SKEWIXWSYUYZSF-IRXDYDNUSA-N 1 2 349.519 2.237 20 30 EEEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]NC(=S)NCC1CCC1 ZINC000794901792 1201451802 /nfs/dbraw/zinc/45/18/02/1201451802.db2.gz HSMUTSYFSWQKIG-UHFFFAOYSA-N 1 2 342.472 2.361 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC1(C)C ZINC001114431674 1201890742 /nfs/dbraw/zinc/89/07/42/1201890742.db2.gz YCHYRAJRVPZLPA-OAHLLOKOSA-N 1 2 344.459 2.196 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095359557 1204173790 /nfs/dbraw/zinc/17/37/90/1204173790.db2.gz NETDPBNTNXOPRA-OAHLLOKOSA-N 1 2 346.475 2.326 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(N)ccnc1F ZINC001274118070 1204385126 /nfs/dbraw/zinc/38/51/26/1204385126.db2.gz WQFSMQHZMPSDOM-SFHVURJKSA-N 1 2 332.423 2.336 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(N)ccnc1F ZINC001274118070 1204385129 /nfs/dbraw/zinc/38/51/29/1204385129.db2.gz WQFSMQHZMPSDOM-SFHVURJKSA-N 1 2 332.423 2.336 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(C(=O)OCC)ccn2)C1=O ZINC001274142276 1204401083 /nfs/dbraw/zinc/40/10/83/1204401083.db2.gz NTRHKRROFPYEOP-IBGZPJMESA-N 1 2 343.427 2.011 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C(=O)OCC)ccn2)C1=O ZINC001274142276 1204401087 /nfs/dbraw/zinc/40/10/87/1204401087.db2.gz NTRHKRROFPYEOP-IBGZPJMESA-N 1 2 343.427 2.011 20 30 EEEDLO N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2cc(F)c(F)cc2N)C1=O ZINC001274167455 1204427678 /nfs/dbraw/zinc/42/76/78/1204427678.db2.gz DLHQMAJNNMBEMI-GOSISDBHSA-N 1 2 348.397 2.418 20 30 EEEDLO N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)c(F)cc2N)C1=O ZINC001274167455 1204427679 /nfs/dbraw/zinc/42/76/79/1204427679.db2.gz DLHQMAJNNMBEMI-GOSISDBHSA-N 1 2 348.397 2.418 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3ncccc3Cl)C2)OCC1=O ZINC001274246600 1204974343 /nfs/dbraw/zinc/97/43/43/1204974343.db2.gz YCEPGHUMILWARY-QGZVFWFLSA-N 1 2 335.835 2.114 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3ncccc3Cl)C2)OCC1=O ZINC001274246600 1204974346 /nfs/dbraw/zinc/97/43/46/1204974346.db2.gz YCEPGHUMILWARY-QGZVFWFLSA-N 1 2 335.835 2.114 20 30 EEEDLO CC(C)=CCN1C(=O)COCC12C[NH+](Cc1ccccc1CC#N)C2 ZINC001274349844 1205004306 /nfs/dbraw/zinc/00/43/06/1205004306.db2.gz LHKYCAQFVMSVCQ-UHFFFAOYSA-N 1 2 339.439 2.132 20 30 EEEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)NCC(F)F)CC2)c1 ZINC001274667713 1205124965 /nfs/dbraw/zinc/12/49/65/1205124965.db2.gz QRIMLXRMTFUZOO-AWEZNQCLSA-N 1 2 349.381 2.247 20 30 EEEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)c1 ZINC001274668314 1205125405 /nfs/dbraw/zinc/12/54/05/1205125405.db2.gz XNOCYYBLFOIQCQ-ZIAGYGMSSA-N 1 2 335.354 2.094 20 30 EEEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)c1 ZINC001274668314 1205125407 /nfs/dbraw/zinc/12/54/07/1205125407.db2.gz XNOCYYBLFOIQCQ-ZIAGYGMSSA-N 1 2 335.354 2.094 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncc(OC)c1C)C2 ZINC001095618187 1205893235 /nfs/dbraw/zinc/89/32/35/1205893235.db2.gz YFGVXWHESZUCQK-SNPRPXQTSA-N 1 2 335.835 2.486 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncc(OC)c1C)C2 ZINC001095618187 1205893233 /nfs/dbraw/zinc/89/32/33/1205893233.db2.gz YFGVXWHESZUCQK-SNPRPXQTSA-N 1 2 335.835 2.486 20 30 EEEDLO Cc1ccc(C#N)c(N(C)CCCNC(=O)c2cccc3[nH+]ccn32)n1 ZINC001095679467 1205912482 /nfs/dbraw/zinc/91/24/82/1205912482.db2.gz IPZIGLVUSYLYKG-UHFFFAOYSA-N 1 2 348.410 2.166 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(OC)n1 ZINC001110888797 1205956474 /nfs/dbraw/zinc/95/64/74/1205956474.db2.gz VIUYNBGCFHBTMG-OAGGEKHMSA-N 1 2 344.459 2.309 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(OC)n1 ZINC001110888797 1205956477 /nfs/dbraw/zinc/95/64/77/1205956477.db2.gz VIUYNBGCFHBTMG-OAGGEKHMSA-N 1 2 344.459 2.309 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001110891868 1205963216 /nfs/dbraw/zinc/96/32/16/1205963216.db2.gz CQHAILLCOGLFRU-SVGFKBNWSA-N 1 2 347.503 2.225 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001110891868 1205963219 /nfs/dbraw/zinc/96/32/19/1205963219.db2.gz CQHAILLCOGLFRU-SVGFKBNWSA-N 1 2 347.503 2.225 20 30 EEEDLO Cc1cc(NC2(CNC(=O)[C@@H](C)C#N)CCOCC2)nc(C(C)C)[nH+]1 ZINC001110977377 1206515612 /nfs/dbraw/zinc/51/56/12/1206515612.db2.gz KSJJQGIEPJLIPN-ZDUSSCGKSA-N 1 2 345.447 2.145 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC1(Nc2cc[nH+]c(C)n2)CCOCC1 ZINC001110993657 1206570681 /nfs/dbraw/zinc/57/06/81/1206570681.db2.gz PDGCYFJABJWSCE-UHFFFAOYSA-N 1 2 332.448 2.465 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](OC)C(F)(F)F)C2 ZINC001111242309 1208414279 /nfs/dbraw/zinc/41/42/79/1208414279.db2.gz ZNSCMLVTLKOWEE-WYUUTHIRSA-N 1 2 340.773 2.428 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](OC)C(F)(F)F)C2 ZINC001111242309 1208414284 /nfs/dbraw/zinc/41/42/84/1208414284.db2.gz ZNSCMLVTLKOWEE-WYUUTHIRSA-N 1 2 340.773 2.428 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nncn3C)[C@@H](C)C2)CC1 ZINC000947690050 1208674588 /nfs/dbraw/zinc/67/45/88/1208674588.db2.gz PWPBSUDHQWQQCC-HOCLYGCPSA-N 1 2 331.464 2.031 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nncn3C)[C@@H](C)C2)CC1 ZINC000947690050 1208674589 /nfs/dbraw/zinc/67/45/89/1208674589.db2.gz PWPBSUDHQWQQCC-HOCLYGCPSA-N 1 2 331.464 2.031 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnn(CC)c1 ZINC000948898270 1209442974 /nfs/dbraw/zinc/44/29/74/1209442974.db2.gz GQQSRRCASBMBMV-IBGZPJMESA-N 1 2 336.439 2.256 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnn(CC)c1 ZINC000948898270 1209442977 /nfs/dbraw/zinc/44/29/77/1209442977.db2.gz GQQSRRCASBMBMV-IBGZPJMESA-N 1 2 336.439 2.256 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1nc(C)c(C)nc1C ZINC000948936196 1209462441 /nfs/dbraw/zinc/46/24/41/1209462441.db2.gz MQDBERZFYZBGGZ-IBGZPJMESA-N 1 2 348.450 2.364 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1nc(C)c(C)nc1C ZINC000948936196 1209462442 /nfs/dbraw/zinc/46/24/42/1209462442.db2.gz MQDBERZFYZBGGZ-IBGZPJMESA-N 1 2 348.450 2.364 20 30 EEEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)CC1 ZINC000949354061 1209646871 /nfs/dbraw/zinc/64/68/71/1209646871.db2.gz NMQRICBGYXRTMJ-MOPGFXCFSA-N 1 2 328.456 2.497 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[NH+](Cc3ccc(C(=O)NC)cc3)CC2)C1 ZINC000950373217 1210177773 /nfs/dbraw/zinc/17/77/73/1210177773.db2.gz MFNXOBUGZMUXNA-UHFFFAOYSA-N 1 2 341.455 2.047 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2noc3c2CC(C)(C)CC3)C1 ZINC000950975474 1210533474 /nfs/dbraw/zinc/53/34/74/1210533474.db2.gz LDVCOOMQIWOLOJ-UHFFFAOYSA-N 1 2 329.444 2.359 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC000951380167 1210777205 /nfs/dbraw/zinc/77/72/05/1210777205.db2.gz NRWILBRGKLNGHQ-CQSZACIVSA-N 1 2 329.435 2.072 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001095841362 1210799412 /nfs/dbraw/zinc/79/94/12/1210799412.db2.gz LAFJFXYMPHDKQL-RLCCDNCMSA-N 1 2 341.440 2.187 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001095841362 1210799415 /nfs/dbraw/zinc/79/94/15/1210799415.db2.gz LAFJFXYMPHDKQL-RLCCDNCMSA-N 1 2 341.440 2.187 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000951537524 1210869590 /nfs/dbraw/zinc/86/95/90/1210869590.db2.gz LNVHPOHMRNULMO-AWEZNQCLSA-N 1 2 340.427 2.496 20 30 EEEDLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000779797307 1210987215 /nfs/dbraw/zinc/98/72/15/1210987215.db2.gz FBSUKGLAFXWNBF-LLVKDONJSA-N 1 2 344.850 2.473 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCc2nccn2C(F)F)cc1OC ZINC000081079390 1211121144 /nfs/dbraw/zinc/12/11/44/1211121144.db2.gz OQUQIECZIUMAEP-UHFFFAOYSA-N 1 2 340.330 2.327 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccn(C(C)(C)C)c2=O)C1 ZINC000952425538 1211415791 /nfs/dbraw/zinc/41/57/91/1211415791.db2.gz SJTDSDJYCRXVHZ-UHFFFAOYSA-N 1 2 331.460 2.326 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000954521768 1212336450 /nfs/dbraw/zinc/33/64/50/1212336450.db2.gz BCMUBTRGLWPMSO-UHFFFAOYSA-N 1 2 344.459 2.079 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001015592287 1225437105 /nfs/dbraw/zinc/43/71/05/1225437105.db2.gz XGTBSEGXURZYBY-ZBFHGGJFSA-N 1 2 344.459 2.100 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C)CC1 ZINC000955810501 1213346563 /nfs/dbraw/zinc/34/65/63/1213346563.db2.gz RIAOPLSNMFCMGQ-GDBMZVCRSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2coc3ccccc23)[C@H](O)C1 ZINC000958748640 1213793928 /nfs/dbraw/zinc/79/39/28/1213793928.db2.gz QLCMLRLCLBSWDR-IUODEOHRSA-N 1 2 334.803 2.208 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2coc3ccccc23)[C@H](O)C1 ZINC000958748640 1213793930 /nfs/dbraw/zinc/79/39/30/1213793930.db2.gz QLCMLRLCLBSWDR-IUODEOHRSA-N 1 2 334.803 2.208 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)[C@H](C)CC)CC3)C2)C1 ZINC000956579869 1214100343 /nfs/dbraw/zinc/10/03/43/1214100343.db2.gz AKWAYJHKFWFJMV-IAGOWNOFSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)c3ccccc3)C2)C1 ZINC001015673249 1225535378 /nfs/dbraw/zinc/53/53/78/1225535378.db2.gz IQURFVOKFMKHRF-MRXNPFEDSA-N 1 2 341.455 2.196 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)c3ccccc3)C2)C1 ZINC001015673249 1225535380 /nfs/dbraw/zinc/53/53/80/1225535380.db2.gz IQURFVOKFMKHRF-MRXNPFEDSA-N 1 2 341.455 2.196 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(CC4CC4)no3)C[C@H]21 ZINC001114680280 1214894358 /nfs/dbraw/zinc/89/43/58/1214894358.db2.gz GOAUILXAQLJUJB-HALDLXJZSA-N 1 2 344.459 2.171 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(CC4CC4)no3)C[C@H]21 ZINC001114680280 1214894362 /nfs/dbraw/zinc/89/43/62/1214894362.db2.gz GOAUILXAQLJUJB-HALDLXJZSA-N 1 2 344.459 2.171 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H](CNc2[nH+]cnc3c2cnn3C)C[C@@H]1C ZINC001114694713 1214994687 /nfs/dbraw/zinc/99/46/87/1214994687.db2.gz UMAXHWRFBANBOZ-KBPBESRZSA-N 1 2 342.447 2.369 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3csc(C)c3)CC2)cn1 ZINC000957381356 1215090592 /nfs/dbraw/zinc/09/05/92/1215090592.db2.gz MTCRZDJTQJDKSW-UHFFFAOYSA-N 1 2 325.437 2.391 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@H]21 ZINC001114723070 1215115503 /nfs/dbraw/zinc/11/55/03/1215115503.db2.gz SAEITWRGTYPWBA-QMCVQRASSA-N 1 2 331.464 2.008 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@H]21 ZINC001114723070 1215115505 /nfs/dbraw/zinc/11/55/05/1215115505.db2.gz SAEITWRGTYPWBA-QMCVQRASSA-N 1 2 331.464 2.008 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(NC(C)=O)ccc2C)C1 ZINC000957466567 1215143700 /nfs/dbraw/zinc/14/37/00/1215143700.db2.gz PTPJYMXKBVZODY-UHFFFAOYSA-N 1 2 327.428 2.123 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001114802973 1215366468 /nfs/dbraw/zinc/36/64/68/1215366468.db2.gz QRSUMVJPVVLTTL-HDJSIYSDSA-N 1 2 341.390 2.291 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC=CC1 ZINC000958452994 1215723063 /nfs/dbraw/zinc/72/30/63/1215723063.db2.gz FMNQSUDHABCCMK-PIIMJCKOSA-N 1 2 325.387 2.210 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC=CC1 ZINC000958452994 1215723065 /nfs/dbraw/zinc/72/30/65/1215723065.db2.gz FMNQSUDHABCCMK-PIIMJCKOSA-N 1 2 325.387 2.210 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(C)(F)F)CC1 ZINC001114843655 1215760946 /nfs/dbraw/zinc/76/09/46/1215760946.db2.gz SKXIMYJPESRKKR-URLYPYJESA-N 1 2 349.219 2.377 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(C)(F)F)CC1 ZINC001114843655 1215760947 /nfs/dbraw/zinc/76/09/47/1215760947.db2.gz SKXIMYJPESRKKR-URLYPYJESA-N 1 2 349.219 2.377 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960505697 1216638200 /nfs/dbraw/zinc/63/82/00/1216638200.db2.gz WHRCKMGSLZGIGI-CXAGYDPISA-N 1 2 328.391 2.280 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960505697 1216638201 /nfs/dbraw/zinc/63/82/01/1216638201.db2.gz WHRCKMGSLZGIGI-CXAGYDPISA-N 1 2 328.391 2.280 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)c1ncc[nH]1 ZINC000960630059 1216750102 /nfs/dbraw/zinc/75/01/02/1216750102.db2.gz FNIGZRNFCWDFHZ-INIZCTEOSA-N 1 2 341.390 2.157 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)c1ncc[nH]1 ZINC000960630059 1216750105 /nfs/dbraw/zinc/75/01/05/1216750105.db2.gz FNIGZRNFCWDFHZ-INIZCTEOSA-N 1 2 341.390 2.157 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccn(C)n1 ZINC000960667825 1216780543 /nfs/dbraw/zinc/78/05/43/1216780543.db2.gz LFESMUPGBQIBSB-QGZVFWFLSA-N 1 2 341.459 2.144 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccn(C)n1 ZINC000960667825 1216780547 /nfs/dbraw/zinc/78/05/47/1216780547.db2.gz LFESMUPGBQIBSB-QGZVFWFLSA-N 1 2 341.459 2.144 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncccn1 ZINC000960668791 1216781448 /nfs/dbraw/zinc/78/14/48/1216781448.db2.gz RPUHFSUNMCILDB-INIZCTEOSA-N 1 2 339.443 2.201 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncccn1 ZINC000960668791 1216781450 /nfs/dbraw/zinc/78/14/50/1216781450.db2.gz RPUHFSUNMCILDB-INIZCTEOSA-N 1 2 339.443 2.201 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001015828758 1225716242 /nfs/dbraw/zinc/71/62/42/1225716242.db2.gz LORAUTZGPGZSOB-DZKIICNBSA-N 1 2 335.473 2.123 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001015828758 1225716247 /nfs/dbraw/zinc/71/62/47/1225716247.db2.gz LORAUTZGPGZSOB-DZKIICNBSA-N 1 2 335.473 2.123 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)ccn1 ZINC001015874957 1225776221 /nfs/dbraw/zinc/77/62/21/1225776221.db2.gz JHNMKBFTKHAIRW-LJQANCHMSA-N 1 2 337.398 2.385 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)ccn1 ZINC001015874957 1225776226 /nfs/dbraw/zinc/77/62/26/1225776226.db2.gz JHNMKBFTKHAIRW-LJQANCHMSA-N 1 2 337.398 2.385 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000965136402 1218919529 /nfs/dbraw/zinc/91/95/29/1218919529.db2.gz OFPMZCWREKKJRE-RDTXWAMCSA-N 1 2 332.448 2.052 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001015952152 1225878393 /nfs/dbraw/zinc/87/83/93/1225878393.db2.gz UVDILNUVTDYDFG-INIZCTEOSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001015952152 1225878396 /nfs/dbraw/zinc/87/83/96/1225878396.db2.gz UVDILNUVTDYDFG-INIZCTEOSA-N 1 2 343.814 2.492 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(F)cn2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000965851891 1219292017 /nfs/dbraw/zinc/29/20/17/1219292017.db2.gz OYTIOWOOTLBCRR-YVEFUNNKSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000965851891 1219292021 /nfs/dbraw/zinc/29/20/21/1219292021.db2.gz OYTIOWOOTLBCRR-YVEFUNNKSA-N 1 2 341.390 2.061 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)oc1C ZINC000965901519 1219340522 /nfs/dbraw/zinc/34/05/22/1219340522.db2.gz VFLMWCGFANGHDW-BDJLRTHQSA-N 1 2 341.415 2.132 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)oc1C ZINC000965901519 1219340528 /nfs/dbraw/zinc/34/05/28/1219340528.db2.gz VFLMWCGFANGHDW-BDJLRTHQSA-N 1 2 341.415 2.132 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc(Cl)n2C)C1 ZINC000967331761 1220424552 /nfs/dbraw/zinc/42/45/52/1220424552.db2.gz CPUBRMFWSQJZCY-MWLCHTKSSA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc(Cl)n2C)C1 ZINC000967331761 1220424555 /nfs/dbraw/zinc/42/45/55/1220424555.db2.gz CPUBRMFWSQJZCY-MWLCHTKSSA-N 1 2 331.247 2.266 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1cnco1 ZINC000967566580 1220634180 /nfs/dbraw/zinc/63/41/80/1220634180.db2.gz YQONHQLKHONPCV-MLGOLLRUSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1cnco1 ZINC000967566580 1220634182 /nfs/dbraw/zinc/63/41/82/1220634182.db2.gz YQONHQLKHONPCV-MLGOLLRUSA-N 1 2 342.374 2.326 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H](N(C)C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000967630312 1220690960 /nfs/dbraw/zinc/69/09/60/1220690960.db2.gz NEDAUTRNEOGJFI-HNNXBMFYSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000967669836 1220723155 /nfs/dbraw/zinc/72/31/55/1220723155.db2.gz SJJGWELDXHWVPY-QFBILLFUSA-N 1 2 346.475 2.394 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000967669834 1220723193 /nfs/dbraw/zinc/72/31/93/1220723193.db2.gz SJJGWELDXHWVPY-APWZRJJASA-N 1 2 346.475 2.394 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(=O)c3ccccc3o2)C1 ZINC000968606747 1221436870 /nfs/dbraw/zinc/43/68/70/1221436870.db2.gz JFYIJWFWZOGFGT-HOCLYGCPSA-N 1 2 338.407 2.257 20 30 EEEDLO CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(=O)c3ccccc3o2)C1 ZINC000968606747 1221436872 /nfs/dbraw/zinc/43/68/72/1221436872.db2.gz JFYIJWFWZOGFGT-HOCLYGCPSA-N 1 2 338.407 2.257 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnn(C)c2C2CC2)C1 ZINC000968695915 1221496060 /nfs/dbraw/zinc/49/60/60/1221496060.db2.gz WSNKKSGGRGNPKB-IAQYHMDHSA-N 1 2 336.867 2.490 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnn(C)c2C2CC2)C1 ZINC000968695915 1221496064 /nfs/dbraw/zinc/49/60/64/1221496064.db2.gz WSNKKSGGRGNPKB-IAQYHMDHSA-N 1 2 336.867 2.490 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)s1 ZINC000968752429 1221538500 /nfs/dbraw/zinc/53/85/00/1221538500.db2.gz NFZWZVBNMWXGQC-LDYMZIIASA-N 1 2 335.326 2.211 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)s1 ZINC000968752429 1221538502 /nfs/dbraw/zinc/53/85/02/1221538502.db2.gz NFZWZVBNMWXGQC-LDYMZIIASA-N 1 2 335.326 2.211 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCCCC[N@@H+]2Cc2ccon2)[nH]1 ZINC000968809684 1221588493 /nfs/dbraw/zinc/58/84/93/1221588493.db2.gz QTZYLPGQGBHDOK-HNNXBMFYSA-N 1 2 327.388 2.049 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCCCC[N@H+]2Cc2ccon2)[nH]1 ZINC000968809684 1221588497 /nfs/dbraw/zinc/58/84/97/1221588497.db2.gz QTZYLPGQGBHDOK-HNNXBMFYSA-N 1 2 327.388 2.049 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)[nH]1 ZINC001006942740 1222025714 /nfs/dbraw/zinc/02/57/14/1222025714.db2.gz ZTHMPRBZOOPNQS-QGZVFWFLSA-N 1 2 340.402 2.103 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)[nH]1 ZINC001006942740 1222025716 /nfs/dbraw/zinc/02/57/16/1222025716.db2.gz ZTHMPRBZOOPNQS-QGZVFWFLSA-N 1 2 340.402 2.103 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008124375 1222636026 /nfs/dbraw/zinc/63/60/26/1222636026.db2.gz UCQMIWLFZNZITL-QGZVFWFLSA-N 1 2 340.402 2.103 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008124375 1222636028 /nfs/dbraw/zinc/63/60/28/1222636028.db2.gz UCQMIWLFZNZITL-QGZVFWFLSA-N 1 2 340.402 2.103 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001008813181 1223048436 /nfs/dbraw/zinc/04/84/36/1223048436.db2.gz FMSBJWHXLGJBAA-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001008813181 1223048439 /nfs/dbraw/zinc/04/84/39/1223048439.db2.gz FMSBJWHXLGJBAA-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NCCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001095921713 1223156720 /nfs/dbraw/zinc/15/67/20/1223156720.db2.gz IZPLGDIYRCTVGK-INIZCTEOSA-N 1 2 346.475 2.279 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)no1 ZINC001010079589 1223539104 /nfs/dbraw/zinc/53/91/04/1223539104.db2.gz QBFCXWKUTDVOQZ-INIZCTEOSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)no1 ZINC001010079589 1223539108 /nfs/dbraw/zinc/53/91/08/1223539108.db2.gz QBFCXWKUTDVOQZ-INIZCTEOSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1noc(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010122749 1223562356 /nfs/dbraw/zinc/56/23/56/1223562356.db2.gz HHVOIGXBTFIDPA-OAHLLOKOSA-N 1 2 342.374 2.307 20 30 EEEDLO Cc1noc(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010122749 1223562358 /nfs/dbraw/zinc/56/23/58/1223562358.db2.gz HHVOIGXBTFIDPA-OAHLLOKOSA-N 1 2 342.374 2.307 20 30 EEEDLO Cc1cccc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001010222851 1223613267 /nfs/dbraw/zinc/61/32/67/1223613267.db2.gz BGCWOOLMYVBJHP-SFHVURJKSA-N 1 2 337.398 2.385 20 30 EEEDLO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001010222851 1223613269 /nfs/dbraw/zinc/61/32/69/1223613269.db2.gz BGCWOOLMYVBJHP-SFHVURJKSA-N 1 2 337.398 2.385 20 30 EEEDLO Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC001010421307 1223713123 /nfs/dbraw/zinc/71/31/23/1223713123.db2.gz OQVGZDVMTZESRR-KRWDZBQOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC001010421307 1223713125 /nfs/dbraw/zinc/71/31/25/1223713125.db2.gz OQVGZDVMTZESRR-KRWDZBQOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1c[nH]cc1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001016244333 1226245613 /nfs/dbraw/zinc/24/56/13/1226245613.db2.gz RQMJFFWKRSQQPM-OAHLLOKOSA-N 1 2 326.375 2.338 20 30 EEEDLO Cc1c[nH]cc1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001016244333 1226245620 /nfs/dbraw/zinc/24/56/20/1226245620.db2.gz RQMJFFWKRSQQPM-OAHLLOKOSA-N 1 2 326.375 2.338 20 30 EEEDLO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)C1CCOCC1 ZINC001016428133 1226468195 /nfs/dbraw/zinc/46/81/95/1226468195.db2.gz SEHVGYSLNIUUFI-KXBFYZLASA-N 1 2 341.455 2.311 20 30 EEEDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1)C1CCOCC1 ZINC001016428133 1226468200 /nfs/dbraw/zinc/46/82/00/1226468200.db2.gz SEHVGYSLNIUUFI-KXBFYZLASA-N 1 2 341.455 2.311 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2c(C)nc3ccccc32)C1 ZINC001014399361 1226572411 /nfs/dbraw/zinc/57/24/11/1226572411.db2.gz NSGCGODWJDSCRI-AWEZNQCLSA-N 1 2 332.835 2.288 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2c(C)nc3ccccc32)C1 ZINC001014399361 1226572417 /nfs/dbraw/zinc/57/24/17/1226572417.db2.gz NSGCGODWJDSCRI-AWEZNQCLSA-N 1 2 332.835 2.288 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001014467363 1226651579 /nfs/dbraw/zinc/65/15/79/1226651579.db2.gz GGGLHDIISNALNO-KFWWJZLASA-N 1 2 335.473 2.123 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001014467363 1226651582 /nfs/dbraw/zinc/65/15/82/1226651582.db2.gz GGGLHDIISNALNO-KFWWJZLASA-N 1 2 335.473 2.123 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001014467016 1226651832 /nfs/dbraw/zinc/65/18/32/1226651832.db2.gz DLLOBQYYUNKALY-INMHGKMJSA-N 1 2 349.500 2.432 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2nc(C)sc2C)C1 ZINC001014467016 1226651837 /nfs/dbraw/zinc/65/18/37/1226651837.db2.gz DLLOBQYYUNKALY-INMHGKMJSA-N 1 2 349.500 2.432 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC23CC[NH+](Cc2ncnn2C)CC3)CC1 ZINC001016807366 1226893011 /nfs/dbraw/zinc/89/30/11/1226893011.db2.gz GMHUORIMVQEBPT-MRXNPFEDSA-N 1 2 343.475 2.032 20 30 EEEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc2cccnc2s1 ZINC001017621350 1227578371 /nfs/dbraw/zinc/57/83/71/1227578371.db2.gz NDFYYUGSIIRSDR-BETUJISGSA-N 1 2 326.425 2.003 20 30 EEEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc2cccnc2s1 ZINC001017621350 1227578376 /nfs/dbraw/zinc/57/83/76/1227578376.db2.gz NDFYYUGSIIRSDR-BETUJISGSA-N 1 2 326.425 2.003 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@H]1n1cccn1 ZINC001017628910 1227584721 /nfs/dbraw/zinc/58/47/21/1227584721.db2.gz TVUPTKMNSRRSLB-FCGDIQPGSA-N 1 2 340.471 2.313 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@H]1n1cccn1 ZINC001017628910 1227584725 /nfs/dbraw/zinc/58/47/25/1227584725.db2.gz TVUPTKMNSRRSLB-FCGDIQPGSA-N 1 2 340.471 2.313 20 30 EEEDLO 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345.491 2.403 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+]([C@H](C)c1nncn1C)C2 ZINC001040322714 1231169869 /nfs/dbraw/zinc/16/98/69/1231169869.db2.gz LNYMTWPCQQNTIW-BEFAXECRSA-N 1 2 345.491 2.403 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3cnn(CC)n3)C2)C1 ZINC001041633020 1231631001 /nfs/dbraw/zinc/63/10/01/1231631001.db2.gz OOUQVBIKNMFADJ-RBUKOAKNSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(CC[N@H+](Cc3cnn(CC)n3)C2)C1 ZINC001041633020 1231631003 /nfs/dbraw/zinc/63/10/03/1231631003.db2.gz OOUQVBIKNMFADJ-RBUKOAKNSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C(Br)CN1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001043091212 1232258880 /nfs/dbraw/zinc/25/88/80/1232258880.db2.gz HLDKABBMKLWPBQ-UHFFFAOYSA-N 1 2 349.232 2.228 20 30 EEEDLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CN(Cc2ccc(C#N)cc2)C1 ZINC001043092392 1232259752 /nfs/dbraw/zinc/25/97/52/1232259752.db2.gz UNIWNYUWYGNPGZ-UHFFFAOYSA-N 1 2 345.406 2.391 20 30 EEEDLO CN(C(=O)Cc1ccco1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 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/nfs/dbraw/zinc/83/44/82/1239834482.db2.gz RUQQGYYTQSQEBF-OKILXGFUSA-N 1 2 348.878 2.320 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([NH2+]Cc3nc(CC4CC4)no3)C2)C1 ZINC001000136610 1239984045 /nfs/dbraw/zinc/98/40/45/1239984045.db2.gz OOHNUVBWROVMRF-HNNXBMFYSA-N 1 2 344.459 2.459 20 30 EEEDLO C#CC[NH+]1CCC(C2(NC(=O)[C@H]3c4cn[nH]c4CC[C@H]3C)CC2)CC1 ZINC001000227362 1240082880 /nfs/dbraw/zinc/08/28/80/1240082880.db2.gz ZUKVVVGKSRHJDC-RDTXWAMCSA-N 1 2 340.471 2.070 20 30 EEEDLO Cc1cc(N(C)[C@H]2CCN(C(=O)C#CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001056912190 1240665724 /nfs/dbraw/zinc/66/57/24/1240665724.db2.gz ZNUVILVJTWVNQQ-INIZCTEOSA-N 1 2 326.444 2.359 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1coc(C2CC2)n1 ZINC001049373557 1240714368 /nfs/dbraw/zinc/71/43/68/1240714368.db2.gz VBKDTJXCFOOUDI-DAXOMENPSA-N 1 2 328.416 2.277 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1coc(C2CC2)n1 ZINC001049373557 1240714375 /nfs/dbraw/zinc/71/43/75/1240714375.db2.gz VBKDTJXCFOOUDI-DAXOMENPSA-N 1 2 328.416 2.277 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)o1 ZINC001049424792 1240872539 /nfs/dbraw/zinc/87/25/39/1240872539.db2.gz HJLJWYOMQGGSBL-HZPDHXFCSA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)o1 ZINC001049424792 1240872546 /nfs/dbraw/zinc/87/25/46/1240872546.db2.gz HJLJWYOMQGGSBL-HZPDHXFCSA-N 1 2 339.399 2.062 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1n[nH]cc1C(F)(F)F ZINC001049515421 1241193721 /nfs/dbraw/zinc/19/37/21/1241193721.db2.gz OYHYTPSRIYGSSA-OLZOCXBDSA-N 1 2 340.349 2.131 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1n[nH]cc1C(F)(F)F ZINC001049515421 1241193729 /nfs/dbraw/zinc/19/37/29/1241193729.db2.gz OYHYTPSRIYGSSA-OLZOCXBDSA-N 1 2 340.349 2.131 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn(C)c(C)cc1=O ZINC001049538373 1241301030 /nfs/dbraw/zinc/30/10/30/1241301030.db2.gz RRRPSQXSVXOXID-JKSUJKDBSA-N 1 2 349.862 2.125 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn(C)c(C)cc1=O ZINC001049538373 1241301037 /nfs/dbraw/zinc/30/10/37/1241301037.db2.gz RRRPSQXSVXOXID-JKSUJKDBSA-N 1 2 349.862 2.125 20 30 EEEDLO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001049633103 1241712479 /nfs/dbraw/zinc/71/24/79/1241712479.db2.gz GGYDXKVHNUMKQH-DLBZAZTESA-N 1 2 337.427 2.337 20 30 EEEDLO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001049633103 1241712485 /nfs/dbraw/zinc/71/24/85/1241712485.db2.gz GGYDXKVHNUMKQH-DLBZAZTESA-N 1 2 337.427 2.337 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccon1 ZINC001049868014 1242468413 /nfs/dbraw/zinc/46/84/13/1242468413.db2.gz QWCKHLGTJMJLMD-UXHICEINSA-N 1 2 349.434 2.464 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccon1 ZINC001049868014 1242468419 /nfs/dbraw/zinc/46/84/19/1242468419.db2.gz QWCKHLGTJMJLMD-UXHICEINSA-N 1 2 349.434 2.464 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]c3cccnc23)C1 ZINC001073854093 1242750730 /nfs/dbraw/zinc/75/07/30/1242750730.db2.gz WHMUQUKDMSCKRE-CYBMUJFWSA-N 1 2 348.834 2.136 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]c3cccnc23)C1 ZINC001073854093 1242750738 /nfs/dbraw/zinc/75/07/38/1242750738.db2.gz WHMUQUKDMSCKRE-CYBMUJFWSA-N 1 2 348.834 2.136 20 30 EEEDLO C[N@@H+](Cc1nccs1)C[C@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001073996516 1242891189 /nfs/dbraw/zinc/89/11/89/1242891189.db2.gz FXYACGSJVPEKJJ-OAHLLOKOSA-N 1 2 343.456 2.470 20 30 EEEDLO C[N@H+](Cc1nccs1)C[C@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001073996516 1242891192 /nfs/dbraw/zinc/89/11/92/1242891192.db2.gz FXYACGSJVPEKJJ-OAHLLOKOSA-N 1 2 343.456 2.470 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H](Nc1cc[nH+]c(C)n1)C1CC1 ZINC001096763389 1243193051 /nfs/dbraw/zinc/19/30/51/1243193051.db2.gz OBIWXSZTHBWZFA-QAPCUYQASA-N 1 2 332.448 2.321 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001096768112 1243296609 /nfs/dbraw/zinc/29/66/09/1243296609.db2.gz GOJPKRCEQXJCBB-QGZVFWFLSA-N 1 2 341.390 2.291 20 30 EEEDLO C[C@H](CC(=O)NC[C@H](Nc1ccc(C#N)cn1)C1CC1)n1cc[nH+]c1 ZINC001096819499 1243326744 /nfs/dbraw/zinc/32/67/44/1243326744.db2.gz CQSSINUSUCHEON-CJNGLKHVSA-N 1 2 338.415 2.108 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CCC[C@@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001096872498 1243402678 /nfs/dbraw/zinc/40/26/78/1243402678.db2.gz OVJLKVOCEAIXPS-HOCLYGCPSA-N 1 2 332.448 2.051 20 30 EEEDLO Cc1ccnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)n1 ZINC001097011053 1243573913 /nfs/dbraw/zinc/57/39/13/1243573913.db2.gz AQSRMSXHRRIJOT-QRVBRYPASA-N 1 2 346.434 2.172 20 30 EEEDLO Cc1ccnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)n1 ZINC001097011053 1243573923 /nfs/dbraw/zinc/57/39/23/1243573923.db2.gz AQSRMSXHRRIJOT-QRVBRYPASA-N 1 2 346.434 2.172 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001097383293 1244117894 /nfs/dbraw/zinc/11/78/94/1244117894.db2.gz DKVDPXGQNJWTNZ-OAHLLOKOSA-N 1 2 346.479 2.253 20 30 EEEDLO C=CCOCCCC(=O)N1C[C@@H]2CC[C@@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001097597633 1244403831 /nfs/dbraw/zinc/40/38/31/1244403831.db2.gz ZBBDUIHAAYDWGK-GVDBMIGSSA-N 1 2 344.459 2.417 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050842250 1244473196 /nfs/dbraw/zinc/47/31/96/1244473196.db2.gz AOYXZDOLPQQTKB-HUUCEWRRSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050842250 1244473200 /nfs/dbraw/zinc/47/32/00/1244473200.db2.gz AOYXZDOLPQQTKB-HUUCEWRRSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C)c(OC)c(C)c1 ZINC001050933157 1244655219 /nfs/dbraw/zinc/65/52/19/1244655219.db2.gz WRVWCVOBQFJLOB-QGZVFWFLSA-N 1 2 332.444 2.319 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C)c(OC)c(C)c1 ZINC001050933157 1244655229 /nfs/dbraw/zinc/65/52/29/1244655229.db2.gz WRVWCVOBQFJLOB-QGZVFWFLSA-N 1 2 332.444 2.319 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(CCC)c1 ZINC001050964021 1244744427 /nfs/dbraw/zinc/74/44/27/1244744427.db2.gz QTYYSLCERQHKMS-SFHVURJKSA-N 1 2 331.460 2.431 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(CCC)c1 ZINC001050964021 1244744441 /nfs/dbraw/zinc/74/44/41/1244744441.db2.gz QTYYSLCERQHKMS-SFHVURJKSA-N 1 2 331.460 2.431 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001052691057 1244762053 /nfs/dbraw/zinc/76/20/53/1244762053.db2.gz OZQWZNSIVJCKNN-CABCVRRESA-N 1 2 346.475 2.155 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001052691057 1244762060 /nfs/dbraw/zinc/76/20/60/1244762060.db2.gz OZQWZNSIVJCKNN-CABCVRRESA-N 1 2 346.475 2.155 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1OCC=C ZINC001050988174 1244791672 /nfs/dbraw/zinc/79/16/72/1244791672.db2.gz BDOCIGHEIMESFO-INIZCTEOSA-N 1 2 330.428 2.258 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1OCC=C ZINC001050988174 1244791674 /nfs/dbraw/zinc/79/16/74/1244791674.db2.gz BDOCIGHEIMESFO-INIZCTEOSA-N 1 2 330.428 2.258 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(-n2cccc2)cc1 ZINC001051007499 1244833329 /nfs/dbraw/zinc/83/33/29/1244833329.db2.gz KTAZSBVEASMITQ-IBGZPJMESA-N 1 2 339.439 2.484 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(-n2cccc2)cc1 ZINC001051007499 1244833345 /nfs/dbraw/zinc/83/33/45/1244833345.db2.gz KTAZSBVEASMITQ-IBGZPJMESA-N 1 2 339.439 2.484 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC001051016337 1244854513 /nfs/dbraw/zinc/85/45/13/1244854513.db2.gz LCMZGTCEXXDHHD-MRXNPFEDSA-N 1 2 340.427 2.083 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC001051016337 1244854518 /nfs/dbraw/zinc/85/45/18/1244854518.db2.gz LCMZGTCEXXDHHD-MRXNPFEDSA-N 1 2 340.427 2.083 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2ccccc2n1C ZINC001051089057 1244964065 /nfs/dbraw/zinc/96/40/65/1244964065.db2.gz IOOIJTCDMRUVCZ-MRXNPFEDSA-N 1 2 327.428 2.185 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2ccccc2n1C ZINC001051089057 1244964079 /nfs/dbraw/zinc/96/40/79/1244964079.db2.gz IOOIJTCDMRUVCZ-MRXNPFEDSA-N 1 2 327.428 2.185 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1NC(=O)CC ZINC001051171770 1245083375 /nfs/dbraw/zinc/08/33/75/1245083375.db2.gz AKRAHNONQNNYGK-HNNXBMFYSA-N 1 2 345.443 2.042 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1NC(=O)CC ZINC001051171770 1245083384 /nfs/dbraw/zinc/08/33/84/1245083384.db2.gz AKRAHNONQNNYGK-HNNXBMFYSA-N 1 2 345.443 2.042 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnc(O[C@H](C)CC)c1 ZINC001051197164 1245376114 /nfs/dbraw/zinc/37/61/14/1245376114.db2.gz KFRWQQOUBRDNJY-NVXWUHKLSA-N 1 2 347.459 2.266 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnc(O[C@H](C)CC)c1 ZINC001051197164 1245376119 /nfs/dbraw/zinc/37/61/19/1245376119.db2.gz KFRWQQOUBRDNJY-NVXWUHKLSA-N 1 2 347.459 2.266 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 ZINC001051254874 1245445693 /nfs/dbraw/zinc/44/56/93/1245445693.db2.gz NYCJTAGJLPFCCW-PKOBYXMFSA-N 1 2 344.455 2.000 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 ZINC001051254874 1245445696 /nfs/dbraw/zinc/44/56/96/1245445696.db2.gz NYCJTAGJLPFCCW-PKOBYXMFSA-N 1 2 344.455 2.000 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCOC3)cccc2C1 ZINC001051282538 1245474338 /nfs/dbraw/zinc/47/43/38/1245474338.db2.gz UGKYVGQFBQPCHW-MRXNPFEDSA-N 1 2 334.847 2.450 20 30 EEEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)[C@@H]3CCOC3)cccc2C1 ZINC001051282538 1245474341 /nfs/dbraw/zinc/47/43/41/1245474341.db2.gz UGKYVGQFBQPCHW-MRXNPFEDSA-N 1 2 334.847 2.450 20 30 EEEDLO C#CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(CC)s3)C[C@@]2(C)C1 ZINC001101217757 1245531061 /nfs/dbraw/zinc/53/10/61/1245531061.db2.gz GLBIFUIIYKOFGY-KDOFPFPSSA-N 1 2 346.500 2.184 20 30 EEEDLO C#CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(CC)s3)C[C@@]2(C)C1 ZINC001101217757 1245531068 /nfs/dbraw/zinc/53/10/68/1245531068.db2.gz GLBIFUIIYKOFGY-KDOFPFPSSA-N 1 2 346.500 2.184 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCCN(CCC)c1[nH+]cnc2c1cnn2C ZINC001101236576 1245554455 /nfs/dbraw/zinc/55/44/55/1245554455.db2.gz ZJIYIDZUJWQJGU-SFHVURJKSA-N 1 2 344.463 2.298 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001101295973 1245624284 /nfs/dbraw/zinc/62/42/84/1245624284.db2.gz CEYPWAVZUAQDOM-OAHLLOKOSA-N 1 2 346.475 2.468 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CC)C[C@@]2(C)C1 ZINC001101377783 1245738880 /nfs/dbraw/zinc/73/88/80/1245738880.db2.gz IATFSEVNJBGJHN-BEFAXECRSA-N 1 2 345.491 2.181 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CC)C[C@@]2(C)C1 ZINC001101377783 1245738887 /nfs/dbraw/zinc/73/88/87/1245738887.db2.gz IATFSEVNJBGJHN-BEFAXECRSA-N 1 2 345.491 2.181 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001101379060 1245740381 /nfs/dbraw/zinc/74/03/81/1245740381.db2.gz SURFCNYJULLDEM-DYVFJYSZSA-N 1 2 334.489 2.421 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001101379060 1245740387 /nfs/dbraw/zinc/74/03/87/1245740387.db2.gz SURFCNYJULLDEM-DYVFJYSZSA-N 1 2 334.489 2.421 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H]([C@H](C)NC(=O)Cc3c[nH]c[nH+]3)C2)CCC1 ZINC001051528906 1245833681 /nfs/dbraw/zinc/83/36/81/1245833681.db2.gz VSPKLPHPPJKUPD-GJZGRUSLSA-N 1 2 344.459 2.052 20 30 EEEDLO Cc1ccc(C)c([C@H](C)[NH+]2CC3(C2)CN(C(=O)[C@@H](C)C#N)CCO3)c1 ZINC001053190890 1246029702 /nfs/dbraw/zinc/02/97/02/1246029702.db2.gz HNYANWGHLIANMN-IRXDYDNUSA-N 1 2 341.455 2.437 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)C3CC(C)C3)C2)CC1 ZINC001052009727 1246372715 /nfs/dbraw/zinc/37/27/15/1246372715.db2.gz OCGIRXVGBOLEEK-BCLQGDPASA-N 1 2 325.884 2.004 20 30 EEEDLO Cc1c(Cl)cccc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052031426 1246395867 /nfs/dbraw/zinc/39/58/67/1246395867.db2.gz NVFZQZCMCFSIBJ-HNNXBMFYSA-N 1 2 346.862 2.004 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([NH+]2CCN(CC(=C)C)CC2)C1 ZINC001052036772 1246405403 /nfs/dbraw/zinc/40/54/03/1246405403.db2.gz VAILLMIKZBOGDR-SFHVURJKSA-N 1 2 342.487 2.082 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)C3CCC3)C2)CC1 ZINC001052042491 1246411873 /nfs/dbraw/zinc/41/18/73/1246411873.db2.gz CGCGJNGKUYDFRH-RDJZCZTQSA-N 1 2 339.911 2.394 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)CC1 ZINC001052057920 1246429125 /nfs/dbraw/zinc/42/91/25/1246429125.db2.gz VEVADNLSWFRKIU-ZGXWSNOMSA-N 1 2 343.515 2.055 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3occc3C(C)C)C2)CC1 ZINC001052068604 1246439615 /nfs/dbraw/zinc/43/96/15/1246439615.db2.gz KSFYMCFHQFPIHL-INIZCTEOSA-N 1 2 331.460 2.421 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccc3c1CCC3)CCO2 ZINC001053548448 1246460992 /nfs/dbraw/zinc/46/09/92/1246460992.db2.gz RPVAYRKYEPIUPP-UHFFFAOYSA-N 1 2 326.440 2.278 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc4c(c3)C=CCC4)C2)CC1 ZINC001052093154 1246472852 /nfs/dbraw/zinc/47/28/52/1246472852.db2.gz KEOJNTWAMMFOSV-NRFANRHFSA-N 1 2 349.478 2.111 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)C(C)C)C2)CC1 ZINC001052094773 1246474910 /nfs/dbraw/zinc/47/49/10/1246474910.db2.gz YEMPFOBAZUOYPA-CVEARBPZSA-N 1 2 327.900 2.250 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C(C)C)oc3C)C2)CC1 ZINC001052102824 1246481525 /nfs/dbraw/zinc/48/15/25/1246481525.db2.gz ISMWDALRGIIBMD-QGZVFWFLSA-N 1 2 343.471 2.177 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](F)CC3CCCCC3)C2)CC1 ZINC001052108740 1246488396 /nfs/dbraw/zinc/48/83/96/1246488396.db2.gz QGQJDMQIWMWXLU-RTBURBONSA-N 1 2 349.494 2.147 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc(OC)c3)C2)CC1 ZINC001052113554 1246495538 /nfs/dbraw/zinc/49/55/38/1246495538.db2.gz YXTCYSREOWZDQI-GOSISDBHSA-N 1 2 343.471 2.103 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C)c(C)n1)O2 ZINC001053628539 1246557418 /nfs/dbraw/zinc/55/74/18/1246557418.db2.gz RCQSZAMWRIINCK-MRXNPFEDSA-N 1 2 329.444 2.238 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)O2 ZINC001053637853 1246571223 /nfs/dbraw/zinc/57/12/23/1246571223.db2.gz FBKPDGJZAOVAQA-JTQLQIEISA-N 1 2 344.242 2.471 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C)nc1C1CC1)O2 ZINC001053637776 1246571821 /nfs/dbraw/zinc/57/18/21/1246571821.db2.gz DHGFZLYMUQTZNE-INIZCTEOSA-N 1 2 341.455 2.417 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(OC)cs1)O2 ZINC001053642171 1246577024 /nfs/dbraw/zinc/57/70/24/1246577024.db2.gz YVRUTVOQDMZQTM-CYBMUJFWSA-N 1 2 336.457 2.296 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C3CC3)[nH]c1=O)C2 ZINC001097991574 1250263551 /nfs/dbraw/zinc/26/35/51/1250263551.db2.gz BLOCJCKCKJQUOE-BNOWGMLFSA-N 1 2 348.834 2.147 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C3CC3)[nH]c1=O)C2 ZINC001097991574 1250263563 /nfs/dbraw/zinc/26/35/63/1250263563.db2.gz BLOCJCKCKJQUOE-BNOWGMLFSA-N 1 2 348.834 2.147 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(F)c(F)c(F)c1)O2 ZINC001053664259 1246611235 /nfs/dbraw/zinc/61/12/35/1246611235.db2.gz PEXBIUYITCIVNH-LBPRGKRZSA-N 1 2 340.345 2.253 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3ccccn3c1)O2 ZINC001053669483 1246617463 /nfs/dbraw/zinc/61/74/63/1246617463.db2.gz AKCRSLQPQLRSNH-KRWDZBQOSA-N 1 2 325.412 2.089 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccn(C(CC)CC)n1)O2 ZINC001053673518 1246624817 /nfs/dbraw/zinc/62/48/17/1246624817.db2.gz VLQFALMIYCBGEP-INIZCTEOSA-N 1 2 346.475 2.393 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn(CCCC)c1C)O2 ZINC001053687409 1246651423 /nfs/dbraw/zinc/65/14/23/1246651423.db2.gz PSNNPWASFAMOAA-MRXNPFEDSA-N 1 2 346.475 2.141 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn(C(C)(C)C)c1C)CO2 ZINC001053822971 1246846487 /nfs/dbraw/zinc/84/64/87/1246846487.db2.gz ZWLFHIWJTVBRHU-OAHLLOKOSA-N 1 2 346.475 2.096 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C)CCC(F)(F)CC1)CO2 ZINC001053847319 1246902949 /nfs/dbraw/zinc/90/29/49/1246902949.db2.gz DCIFJMYRJYVXQS-CQSZACIVSA-N 1 2 340.414 2.185 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CCCC1(F)F)CO2 ZINC001053905954 1246994488 /nfs/dbraw/zinc/99/44/88/1246994488.db2.gz QQFLQTXKPAXWHQ-KGLIPLIRSA-N 1 2 328.403 2.348 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1[C@@H]3CCCCCC[C@@H]31)CO2 ZINC001053938623 1247037302 /nfs/dbraw/zinc/03/73/02/1247037302.db2.gz WGYPUZRNNXZFIB-BDXSIMOUSA-N 1 2 330.472 2.186 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1occ3c1CCCC3)CO2 ZINC001053993604 1247123612 /nfs/dbraw/zinc/12/36/12/1247123612.db2.gz PTAPNYQVHRIICN-HNNXBMFYSA-N 1 2 330.428 2.308 20 30 EEEDLO C[C@@H](CC(=O)N1CCC[C@H](Nc2ncccc2C#N)C1)n1cc[nH+]c1 ZINC001057763802 1247292598 /nfs/dbraw/zinc/29/25/98/1247292598.db2.gz GLJOJAZPTHXMGU-HOCLYGCPSA-N 1 2 338.415 2.204 20 30 EEEDLO C[C@@H]1C[C@H](CNc2cccc(F)c2C#N)CN1C(=O)Cn1cc[nH+]c1 ZINC001068336279 1250829742 /nfs/dbraw/zinc/82/97/42/1250829742.db2.gz WTHPYCYQRBVYNJ-ZIAGYGMSSA-N 1 2 341.390 2.243 20 30 EEEDLO N#Cc1cccnc1NC[C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001068552395 1251290524 /nfs/dbraw/zinc/29/05/24/1251290524.db2.gz NFQRXKRQAHQNFV-CTYIDZIISA-N 1 2 346.394 2.221 20 30 EEEDLO Cc1nc(N[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C)ccc1C#N ZINC001068971377 1252022241 /nfs/dbraw/zinc/02/22/41/1252022241.db2.gz HOIQGVOPQXUOLK-XJKSGUPXSA-N 1 2 338.415 2.019 20 30 EEEDLO Cc1nc(N[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C)ccc1C#N ZINC001068971377 1252022246 /nfs/dbraw/zinc/02/22/46/1252022246.db2.gz HOIQGVOPQXUOLK-XJKSGUPXSA-N 1 2 338.415 2.019 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C)n1 ZINC001068971614 1252023385 /nfs/dbraw/zinc/02/33/85/1252023385.db2.gz LIWVRKJNPAIIDD-CZUORRHYSA-N 1 2 338.415 2.019 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C)n1 ZINC001068971614 1252023393 /nfs/dbraw/zinc/02/33/93/1252023393.db2.gz LIWVRKJNPAIIDD-CZUORRHYSA-N 1 2 338.415 2.019 20 30 EEEDLO C[C@H]1C[C@H](Nc2cccc(F)c2C#N)CN1C(=O)Cc1c[nH+]cn1C ZINC001069120604 1252292618 /nfs/dbraw/zinc/29/26/18/1252292618.db2.gz ASUXPAMCFHKDIA-STQMWFEESA-N 1 2 341.390 2.075 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001069778509 1253261408 /nfs/dbraw/zinc/26/14/08/1253261408.db2.gz XAGPNMYSXAPQSG-LJQANCHMSA-N 1 2 344.459 2.150 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001070742823 1253758299 /nfs/dbraw/zinc/75/82/99/1253758299.db2.gz WMLYUDKPUUQCJH-HUUCEWRRSA-N 1 2 332.448 2.154 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cncs1)C[C@@H](C)O2 ZINC001071144990 1254001390 /nfs/dbraw/zinc/00/13/90/1254001390.db2.gz YLXUWCGAZKFWLK-IUODEOHRSA-N 1 2 341.864 2.201 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cncs1)C[C@@H](C)O2 ZINC001071144990 1254001393 /nfs/dbraw/zinc/00/13/93/1254001393.db2.gz YLXUWCGAZKFWLK-IUODEOHRSA-N 1 2 341.864 2.201 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C[N@@H+]1Cc1ccns1 ZINC001071431357 1254173541 /nfs/dbraw/zinc/17/35/41/1254173541.db2.gz ONZCIIOZYVXCSQ-WCQYABFASA-N 1 2 329.429 2.126 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C[N@H+]1Cc1ccns1 ZINC001071431357 1254173547 /nfs/dbraw/zinc/17/35/47/1254173547.db2.gz ONZCIIOZYVXCSQ-WCQYABFASA-N 1 2 329.429 2.126 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071490721 1254278220 /nfs/dbraw/zinc/27/82/20/1254278220.db2.gz QCSQNBFTFSURNO-WMLDXEAASA-N 1 2 337.427 2.373 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071490721 1254278229 /nfs/dbraw/zinc/27/82/29/1254278229.db2.gz QCSQNBFTFSURNO-WMLDXEAASA-N 1 2 337.427 2.373 20 30 EEEDLO CC#CC[N@@H+]1C[C@H](NC(=O)c2nc3cccnc3s2)CC[C@@H]1C ZINC001071571297 1254351671 /nfs/dbraw/zinc/35/16/71/1254351671.db2.gz CRUUSOZTXLRIRR-QWHCGFSZSA-N 1 2 328.441 2.297 20 30 EEEDLO CC#CC[N@H+]1C[C@H](NC(=O)c2nc3cccnc3s2)CC[C@@H]1C ZINC001071571297 1254351681 /nfs/dbraw/zinc/35/16/81/1254351681.db2.gz CRUUSOZTXLRIRR-QWHCGFSZSA-N 1 2 328.441 2.297 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2csnn2)C[N@@H+]1Cc1ccccc1C#N ZINC001071711932 1254549071 /nfs/dbraw/zinc/54/90/71/1254549071.db2.gz GQHKEWVGHRMALC-IUODEOHRSA-N 1 2 341.440 2.193 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2csnn2)C[N@H+]1Cc1ccccc1C#N ZINC001071711932 1254549074 /nfs/dbraw/zinc/54/90/74/1254549074.db2.gz GQHKEWVGHRMALC-IUODEOHRSA-N 1 2 341.440 2.193 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001074264072 1256833251 /nfs/dbraw/zinc/83/32/51/1256833251.db2.gz RSQMWFYTANYVKT-RHSMWYFYSA-N 1 2 344.459 2.074 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3nccc4ccccc43)C[C@@H]21 ZINC001074324863 1256912473 /nfs/dbraw/zinc/91/24/73/1256912473.db2.gz QVWURHRDIAVWLZ-OALUTQOASA-N 1 2 349.434 2.173 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3nccc4ccccc43)C[C@@H]21 ZINC001074324863 1256912479 /nfs/dbraw/zinc/91/24/79/1256912479.db2.gz QVWURHRDIAVWLZ-OALUTQOASA-N 1 2 349.434 2.173 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(F)c(OC)c3)C[C@@H]21 ZINC001074342777 1256922295 /nfs/dbraw/zinc/92/22/95/1256922295.db2.gz BERJBPZRAQFPEF-DLBZAZTESA-N 1 2 348.418 2.326 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(F)c(OC)c3)C[C@@H]21 ZINC001074342777 1256922304 /nfs/dbraw/zinc/92/23/04/1256922304.db2.gz BERJBPZRAQFPEF-DLBZAZTESA-N 1 2 348.418 2.326 20 30 EEEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(C)C)no3)C[C@H]21 ZINC001074351864 1256933011 /nfs/dbraw/zinc/93/30/11/1256933011.db2.gz VFZYNJYVEGHOMQ-HZPDHXFCSA-N 1 2 333.432 2.289 20 30 EEEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(C)C)no3)C[C@H]21 ZINC001074351864 1256933017 /nfs/dbraw/zinc/93/30/17/1256933017.db2.gz VFZYNJYVEGHOMQ-HZPDHXFCSA-N 1 2 333.432 2.289 20 30 EEEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ncoc3C(C)(C)C)C[C@@H]21 ZINC001074380832 1256959162 /nfs/dbraw/zinc/95/91/62/1256959162.db2.gz VEDHAEZYBYITMP-GJZGRUSLSA-N 1 2 347.459 2.464 20 30 EEEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ncoc3C(C)(C)C)C[C@@H]21 ZINC001074380832 1256959166 /nfs/dbraw/zinc/95/91/66/1256959166.db2.gz VEDHAEZYBYITMP-GJZGRUSLSA-N 1 2 347.459 2.464 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(CC(C)C)c[nH]3)C[C@@H]21 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ZINC001073703361 1297421182 /nfs/dbraw/zinc/42/11/82/1297421182.db2.gz MOKINEXJURCPGS-HNNXBMFYSA-N 1 2 337.851 2.272 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001073928320 1297700356 /nfs/dbraw/zinc/70/03/56/1297700356.db2.gz ZCXHFYPLRFSVOE-HUUCEWRRSA-N 1 2 346.475 2.298 20 30 EEEDLO Cc1conc1C[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001073984359 1297758917 /nfs/dbraw/zinc/75/89/17/1297758917.db2.gz JDTPAMSZJJNOKR-OAHLLOKOSA-N 1 2 341.415 2.310 20 30 EEEDLO Cc1conc1C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001073984359 1297758928 /nfs/dbraw/zinc/75/89/28/1297758928.db2.gz JDTPAMSZJJNOKR-OAHLLOKOSA-N 1 2 341.415 2.310 20 30 EEEDLO CC(C)[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001219330676 1297983572 /nfs/dbraw/zinc/98/35/72/1297983572.db2.gz OTJBGMLNOPVOKU-IPELMVKDSA-N 1 2 346.446 2.021 20 30 EEEDLO CC(C)[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001219330676 1297983577 /nfs/dbraw/zinc/98/35/77/1297983577.db2.gz OTJBGMLNOPVOKU-IPELMVKDSA-N 1 2 346.446 2.021 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3nccc4[nH]ccc43)C[C@@H]21 ZINC001074340897 1298049650 /nfs/dbraw/zinc/04/96/50/1298049650.db2.gz NDHIIGJNDHFBMH-IRXDYDNUSA-N 1 2 340.427 2.054 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3nccc4[nH]ccc43)C[C@@H]21 ZINC001074340897 1298049656 /nfs/dbraw/zinc/04/96/56/1298049656.db2.gz NDHIIGJNDHFBMH-IRXDYDNUSA-N 1 2 340.427 2.054 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CCC(F)(F)CC3)C[C@H]21 ZINC001074343503 1298054443 /nfs/dbraw/zinc/05/44/43/1298054443.db2.gz NXUNUTHJDWTWBZ-HZPDHXFCSA-N 1 2 340.414 2.137 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CCC(F)(F)CC3)C[C@H]21 ZINC001074343503 1298054451 /nfs/dbraw/zinc/05/44/51/1298054451.db2.gz NXUNUTHJDWTWBZ-HZPDHXFCSA-N 1 2 340.414 2.137 20 30 EEEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(F)cccc3F)C[C@H]21 ZINC001074391973 1298091495 /nfs/dbraw/zinc/09/14/95/1298091495.db2.gz BULBICAFSIDCAO-HZPDHXFCSA-N 1 2 336.382 2.456 20 30 EEEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(F)cccc3F)C[C@H]21 ZINC001074391973 1298091505 /nfs/dbraw/zinc/09/15/05/1298091505.db2.gz BULBICAFSIDCAO-HZPDHXFCSA-N 1 2 336.382 2.456 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccccc3Cl)C[C@H]21 ZINC001074401051 1298094734 /nfs/dbraw/zinc/09/47/34/1298094734.db2.gz XZUZVRIWGMZKAB-QZTJIDSGSA-N 1 2 346.858 2.208 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccccc3Cl)C[C@H]21 ZINC001074401051 1298094745 /nfs/dbraw/zinc/09/47/45/1298094745.db2.gz XZUZVRIWGMZKAB-QZTJIDSGSA-N 1 2 346.858 2.208 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccccc3C)C[C@H]21 ZINC001074408092 1298099921 /nfs/dbraw/zinc/09/99/21/1298099921.db2.gz PVTZYMBZOXBSBE-MOPGFXCFSA-N 1 2 328.456 2.415 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccccc3C)C[C@H]21 ZINC001074408092 1298099931 /nfs/dbraw/zinc/09/99/31/1298099931.db2.gz PVTZYMBZOXBSBE-MOPGFXCFSA-N 1 2 328.456 2.415 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)s2)C[C@@H]1O ZINC001220177048 1298284054 /nfs/dbraw/zinc/28/40/54/1298284054.db2.gz ZUUKRNXKXMMDRY-KGLIPLIRSA-N 1 2 340.876 2.256 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)C[C@@H]1O ZINC001220177048 1298284059 /nfs/dbraw/zinc/28/40/59/1298284059.db2.gz ZUUKRNXKXMMDRY-KGLIPLIRSA-N 1 2 340.876 2.256 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cn(C(C)C)nc2C)C[C@@H]1O ZINC001220201815 1298299112 /nfs/dbraw/zinc/29/91/12/1298299112.db2.gz ZTEXRDXAWQVRKD-OLMNPRSZSA-N 1 2 348.491 2.036 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cn(C(C)C)nc2C)C[C@@H]1O ZINC001220201815 1298299122 /nfs/dbraw/zinc/29/91/22/1298299122.db2.gz ZTEXRDXAWQVRKD-OLMNPRSZSA-N 1 2 348.491 2.036 20 30 EEEDLO CCC[C@H](CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001220631674 1298482695 /nfs/dbraw/zinc/48/26/95/1298482695.db2.gz QNLQXAFKLNYBJJ-QGTPRVQTSA-N 1 2 347.434 2.185 20 30 EEEDLO CCC[C@H](CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001220631674 1298482700 /nfs/dbraw/zinc/48/27/00/1298482700.db2.gz QNLQXAFKLNYBJJ-QGTPRVQTSA-N 1 2 347.434 2.185 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cnoc3C)C[C@@H]2O)CCCCC1 ZINC001221052405 1298643681 /nfs/dbraw/zinc/64/36/81/1298643681.db2.gz JXMMFXCUOGJICX-SJORKVTESA-N 1 2 347.459 2.171 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cnoc3C)C[C@@H]2O)CCCCC1 ZINC001221052405 1298643690 /nfs/dbraw/zinc/64/36/90/1298643690.db2.gz JXMMFXCUOGJICX-SJORKVTESA-N 1 2 347.459 2.171 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)NCCCCCO ZINC001221283596 1298748002 /nfs/dbraw/zinc/74/80/02/1298748002.db2.gz WORLNPMUVROUMJ-GOSISDBHSA-N 1 2 329.444 2.192 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCO ZINC001221283596 1298748017 /nfs/dbraw/zinc/74/80/17/1298748017.db2.gz WORLNPMUVROUMJ-GOSISDBHSA-N 1 2 329.444 2.192 20 30 EEEDLO CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221304255 1298758764 /nfs/dbraw/zinc/75/87/64/1298758764.db2.gz ATLGSYGTTQMOMQ-KVSKMBFKSA-N 1 2 344.430 2.135 20 30 EEEDLO CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001221304255 1298758773 /nfs/dbraw/zinc/75/87/73/1298758773.db2.gz ATLGSYGTTQMOMQ-KVSKMBFKSA-N 1 2 344.430 2.135 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]21 ZINC001221574532 1298944760 /nfs/dbraw/zinc/94/47/60/1298944760.db2.gz BPLBSZHKXQDMKN-BRWVUGGUSA-N 1 2 349.519 2.282 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]21 ZINC001221574532 1298944766 /nfs/dbraw/zinc/94/47/66/1298944766.db2.gz BPLBSZHKXQDMKN-BRWVUGGUSA-N 1 2 349.519 2.282 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(OC)no3)C[C@H]21 ZINC001221579764 1298949402 /nfs/dbraw/zinc/94/94/02/1298949402.db2.gz VJUDTJPBEGJCPO-UKRRQHHQSA-N 1 2 333.432 2.318 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@H+](Cc3cc(OC)no3)C[C@H]21 ZINC001221579764 1298949408 /nfs/dbraw/zinc/94/94/08/1298949408.db2.gz VJUDTJPBEGJCPO-UKRRQHHQSA-N 1 2 333.432 2.318 20 30 EEEDLO Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C(F)(F)F)s1 ZINC001099224960 1298977947 /nfs/dbraw/zinc/97/79/47/1298977947.db2.gz SYYQUTKUWWFIIR-JMJZKYOTSA-N 1 2 346.378 2.090 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)CCC)C[C@H]21 ZINC001221735804 1299027151 /nfs/dbraw/zinc/02/71/51/1299027151.db2.gz XDNUFUFZJBNAAZ-ARFHVFGLSA-N 1 2 335.492 2.036 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@@H](C)CCC)C[C@H]21 ZINC001221735804 1299027159 /nfs/dbraw/zinc/02/71/59/1299027159.db2.gz XDNUFUFZJBNAAZ-ARFHVFGLSA-N 1 2 335.492 2.036 20 30 EEEDLO C=CCC1(C(=O)NCC[C@H](C)Nc2cc[nH+]c(C)n2)CCOCC1 ZINC001099369201 1299103667 /nfs/dbraw/zinc/10/36/67/1299103667.db2.gz GMKSFAYDDVVORI-AWEZNQCLSA-N 1 2 332.448 2.465 20 30 EEEDLO C#CCCCCCC(=O)NCC[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001099619043 1299265369 /nfs/dbraw/zinc/26/53/69/1299265369.db2.gz KCAVOCBSDDCXMF-AWEZNQCLSA-N 1 2 346.479 2.136 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001099634579 1299288810 /nfs/dbraw/zinc/28/88/10/1299288810.db2.gz OPNKKALSEWIMTI-OLZOCXBDSA-N 1 2 330.436 2.272 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CCCC)C(C)C)[C@@H]2C1 ZINC001222056984 1299305308 /nfs/dbraw/zinc/30/53/08/1299305308.db2.gz QFGIBPDDONBXGW-KZNAEPCWSA-N 1 2 349.519 2.284 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CCCC)C(C)C)[C@@H]2C1 ZINC001222056984 1299305315 /nfs/dbraw/zinc/30/53/15/1299305315.db2.gz QFGIBPDDONBXGW-KZNAEPCWSA-N 1 2 349.519 2.284 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C[C@H]1O ZINC001099727616 1299378827 /nfs/dbraw/zinc/37/88/27/1299378827.db2.gz RGENJVQRVFLIHM-JKSUJKDBSA-N 1 2 340.826 2.497 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C[C@H]1O ZINC001099727616 1299378836 /nfs/dbraw/zinc/37/88/36/1299378836.db2.gz RGENJVQRVFLIHM-JKSUJKDBSA-N 1 2 340.826 2.497 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C[C@@H]1O ZINC001099727161 1299379921 /nfs/dbraw/zinc/37/99/21/1299379921.db2.gz MZFWYCKEUBSSOG-CVEARBPZSA-N 1 2 340.826 2.497 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C[C@@H]1O ZINC001099727161 1299379934 /nfs/dbraw/zinc/37/99/34/1299379934.db2.gz MZFWYCKEUBSSOG-CVEARBPZSA-N 1 2 340.826 2.497 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001222407594 1299547869 /nfs/dbraw/zinc/54/78/69/1299547869.db2.gz YWPNEMVEXBLCGT-CVEARBPZSA-N 1 2 331.464 2.248 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001222407594 1299547884 /nfs/dbraw/zinc/54/78/84/1299547884.db2.gz YWPNEMVEXBLCGT-CVEARBPZSA-N 1 2 331.464 2.248 20 30 EEEDLO C=CCOCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C(C)C)o3)[C@H]2C1 ZINC001222452292 1299595722 /nfs/dbraw/zinc/59/57/22/1299595722.db2.gz FOIYQBDGZSTKRI-CVEARBPZSA-N 1 2 347.459 2.423 20 30 EEEDLO C=CCOCC(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C(C)C)o3)[C@H]2C1 ZINC001222452292 1299595730 /nfs/dbraw/zinc/59/57/30/1299595730.db2.gz FOIYQBDGZSTKRI-CVEARBPZSA-N 1 2 347.459 2.423 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CC2(C[NH+](CC=C)C2)n2ccnc21 ZINC001101628735 1299700456 /nfs/dbraw/zinc/70/04/56/1299700456.db2.gz BASALPVELDEPCM-INIZCTEOSA-N 1 2 326.444 2.409 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001222613564 1299727475 /nfs/dbraw/zinc/72/74/75/1299727475.db2.gz DAEDFGKBDQVOSG-ZBFHGGJFSA-N 1 2 342.443 2.173 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)o3)[C@H]2C1 ZINC001222613564 1299727484 /nfs/dbraw/zinc/72/74/84/1299727484.db2.gz DAEDFGKBDQVOSG-ZBFHGGJFSA-N 1 2 342.443 2.173 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(CC)nn3)[C@H]2C1 ZINC001222789836 1299863820 /nfs/dbraw/zinc/86/38/20/1299863820.db2.gz OWGBFLGPSGLWAL-WBVHZDCISA-N 1 2 331.464 2.077 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@H+](Cc3cn(CC)nn3)[C@H]2C1 ZINC001222789836 1299863832 /nfs/dbraw/zinc/86/38/32/1299863832.db2.gz OWGBFLGPSGLWAL-WBVHZDCISA-N 1 2 331.464 2.077 20 30 EEEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccon4)[C@H]3C2)CCC1 ZINC001222876424 1299904631 /nfs/dbraw/zinc/90/46/31/1299904631.db2.gz DJCXYZRQQJIXNH-WBVHZDCISA-N 1 2 327.428 2.291 20 30 EEEDLO C#CCC1(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccon4)[C@H]3C2)CCC1 ZINC001222876424 1299904633 /nfs/dbraw/zinc/90/46/33/1299904633.db2.gz DJCXYZRQQJIXNH-WBVHZDCISA-N 1 2 327.428 2.291 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@@H](Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001102172712 1300497450 /nfs/dbraw/zinc/49/74/50/1300497450.db2.gz XQRCICUBXKRVDO-RHSMWYFYSA-N 1 2 338.411 2.093 20 30 EEEDLO C=C1CC(C)(C(=O)NCC2CC[NH+](Cc3ncnn3CCC)CC2)C1 ZINC001224476398 1300609780 /nfs/dbraw/zinc/60/97/80/1300609780.db2.gz CXWIUFARAIAGAN-UHFFFAOYSA-N 1 2 345.491 2.373 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NCC[C@@H]1CCN(c2cc[nH+]c(C)n2)C1)OCC ZINC001102355886 1300925252 /nfs/dbraw/zinc/92/52/52/1300925252.db2.gz QPHFJMIPBZNDSW-IAGOWNOFSA-N 1 2 346.475 2.489 20 30 EEEDLO C=CCOCC(=O)N1CC[C@@H](CN(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102435140 1301044937 /nfs/dbraw/zinc/04/49/37/1301044937.db2.gz RCLMLUIFNCZYLB-INIZCTEOSA-N 1 2 346.475 2.396 20 30 EEEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)[nH+]c2c1CCCC2 ZINC001102541937 1301205116 /nfs/dbraw/zinc/20/51/16/1301205116.db2.gz NSLZQYJRXHLDSA-GJZGRUSLSA-N 1 2 326.444 2.420 20 30 EEEDLO CC(C)(C)C(=O)C(=O)NC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC001226632465 1301486570 /nfs/dbraw/zinc/48/65/70/1301486570.db2.gz AVERACBLPCFSFL-UHFFFAOYSA-N 1 2 345.418 2.393 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)CC[C@@H](C)OC)CC1 ZINC001226969417 1301629915 /nfs/dbraw/zinc/62/99/15/1301629915.db2.gz LZYTUBUOZURPQP-GFCCVEGCSA-N 1 2 333.270 2.291 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CCCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102855748 1301773661 /nfs/dbraw/zinc/77/36/61/1301773661.db2.gz FMCWPHRUBUYYMQ-INIZCTEOSA-N 1 2 344.459 2.340 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CCCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001102884774 1301847658 /nfs/dbraw/zinc/84/76/58/1301847658.db2.gz AFXAJXHAIZFFCA-ZDUSSCGKSA-N 1 2 342.447 2.051 20 30 EEEDLO C=CC(C)(C)CC(=O)NC1CC[NH+](Cc2nn(CC)nc2C)CC1 ZINC001227562279 1301890129 /nfs/dbraw/zinc/89/01/29/1301890129.db2.gz MAHFAOFISKYCTJ-UHFFFAOYSA-N 1 2 333.480 2.289 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NC1CC[NH+]([C@H](C)c2nnc(C)[nH]2)CC1)OCC ZINC001227629422 1301916520 /nfs/dbraw/zinc/91/65/20/1301916520.db2.gz VDLQVIABKYEFNJ-CZUORRHYSA-N 1 2 349.479 2.126 20 30 EEEDLO C#Cc1cncc(C(=O)NCC[C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)c1 ZINC001102941284 1301972500 /nfs/dbraw/zinc/97/25/00/1301972500.db2.gz DYEWAJUSQAGMEP-KRWDZBQOSA-N 1 2 349.438 2.198 20 30 EEEDLO C#CCCCCCC(=O)NC1CC[NH+](Cc2nn(CC)nc2C)CC1 ZINC001228637163 1302351090 /nfs/dbraw/zinc/35/10/90/1302351090.db2.gz MVLUFFGWHQLHJR-UHFFFAOYSA-N 1 2 345.491 2.271 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2nn(CC)nc2C)CC1 ZINC001228749307 1302421071 /nfs/dbraw/zinc/42/10/71/1302421071.db2.gz RRDGOCLLSSXJCT-KBPBESRZSA-N 1 2 333.480 2.145 20 30 EEEDLO CSc1nc2c(c(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@H+]4C)n1)CCCC2 ZINC001229162916 1302648594 /nfs/dbraw/zinc/64/85/94/1302648594.db2.gz WLYYYDNXZLXCQH-BSRWDCPYSA-N 1 2 333.457 2.069 20 30 EEEDLO CSc1nc2c(c(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@@H+]4C)n1)CCCC2 ZINC001229162916 1302648598 /nfs/dbraw/zinc/64/85/98/1302648598.db2.gz WLYYYDNXZLXCQH-BSRWDCPYSA-N 1 2 333.457 2.069 20 30 EEEDLO CC[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)Nc1ccc(C#N)c(C)n1 ZINC001103328333 1302746004 /nfs/dbraw/zinc/74/60/04/1302746004.db2.gz JMEATVSHTRIITI-XJKSGUPXSA-N 1 2 340.431 2.416 20 30 EEEDLO C[N@@H+]1CCO[C@H](COc2cc(F)c(C#N)cc2Br)C1 ZINC001229889670 1302977349 /nfs/dbraw/zinc/97/73/49/1302977349.db2.gz GMTWUPGYFOHPTO-JTQLQIEISA-N 1 2 329.169 2.169 20 30 EEEDLO C[N@H+]1CCO[C@H](COc2cc(F)c(C#N)cc2Br)C1 ZINC001229889670 1302977351 /nfs/dbraw/zinc/97/73/51/1302977351.db2.gz GMTWUPGYFOHPTO-JTQLQIEISA-N 1 2 329.169 2.169 20 30 EEEDLO CC(=O)CCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001230759079 1303435605 /nfs/dbraw/zinc/43/56/05/1303435605.db2.gz NVLMQHHUUFEISJ-GOSISDBHSA-N 1 2 327.428 2.350 20 30 EEEDLO CC(=O)CCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001230759079 1303435610 /nfs/dbraw/zinc/43/56/10/1303435610.db2.gz NVLMQHHUUFEISJ-GOSISDBHSA-N 1 2 327.428 2.350 20 30 EEEDLO Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H]1CN(C)C(=O)CSCC#N ZINC001230814623 1303478365 /nfs/dbraw/zinc/47/83/65/1303478365.db2.gz FCYCYEXYQOTQJU-INIZCTEOSA-N 1 2 349.504 2.062 20 30 EEEDLO Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H]1CN(C)C(=O)CSCC#N ZINC001230814623 1303478369 /nfs/dbraw/zinc/47/83/69/1303478369.db2.gz FCYCYEXYQOTQJU-INIZCTEOSA-N 1 2 349.504 2.062 20 30 EEEDLO C#Cc1ccc(C(=O)NCCC[N@@H+](CCF)Cc2cccnc2)cn1 ZINC001230905238 1303538022 /nfs/dbraw/zinc/53/80/22/1303538022.db2.gz DREIRMLIXKEETG-UHFFFAOYSA-N 1 2 340.402 2.050 20 30 EEEDLO C#Cc1ccc(C(=O)NCCC[N@H+](CCF)Cc2cccnc2)cn1 ZINC001230905238 1303538024 /nfs/dbraw/zinc/53/80/24/1303538024.db2.gz DREIRMLIXKEETG-UHFFFAOYSA-N 1 2 340.402 2.050 20 30 EEEDLO CC(C)OCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001231054057 1303602706 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333.407 2.155 20 30 EEEDLO CO[C@H](C)CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001231147855 1303651846 /nfs/dbraw/zinc/65/18/46/1303651846.db2.gz CEJUVGHPNCXQIE-CZUORRHYSA-N 1 2 333.407 2.155 20 30 EEEDLO CCOCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001231188679 1303672755 /nfs/dbraw/zinc/67/27/55/1303672755.db2.gz HHMSWMVIKXFYIZ-SFHVURJKSA-N 1 2 332.419 2.137 20 30 EEEDLO CCOCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001231188679 1303672760 /nfs/dbraw/zinc/67/27/60/1303672760.db2.gz HHMSWMVIKXFYIZ-SFHVURJKSA-N 1 2 332.419 2.137 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC(C)(C)C ZINC001231226001 1303690333 /nfs/dbraw/zinc/69/03/33/1303690333.db2.gz LLTMTFUHWFHUTR-CVEARBPZSA-N 1 2 337.508 2.426 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCCC(C)(C)C ZINC001231226001 1303690339 /nfs/dbraw/zinc/69/03/39/1303690339.db2.gz LLTMTFUHWFHUTR-CVEARBPZSA-N 1 2 337.508 2.426 20 30 EEEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(Cl)cc2c1OCC2 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ZINC001120877973 1309808782 /nfs/dbraw/zinc/80/87/82/1309808782.db2.gz GCYAZSGDLPONFR-YUSALJHKSA-N 1 2 344.444 2.109 20 30 EEEDLO Cc1nsc(N[C@H](C)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1C#N ZINC001120877973 1309808789 /nfs/dbraw/zinc/80/87/89/1309808789.db2.gz GCYAZSGDLPONFR-YUSALJHKSA-N 1 2 344.444 2.109 20 30 EEEDLO COc1ccc(-c2cc(C(=O)N3CC[NH+](C)CC3)ccn2)c(C#N)c1 ZINC001243726535 1309856489 /nfs/dbraw/zinc/85/64/89/1309856489.db2.gz RNVXQFXGMRRAMV-UHFFFAOYSA-N 1 2 336.395 2.016 20 30 EEEDLO Cc1nc(C#N)cc(-c2ccc(OCC[NH+]3CCOCC3)cc2F)n1 ZINC001244137903 1309914524 /nfs/dbraw/zinc/91/45/24/1309914524.db2.gz ZBLHYLRZDFCUDA-UHFFFAOYSA-N 1 2 342.374 2.174 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3csc(C)n3)n2CC(=C)C)CC1 ZINC001122463691 1310295363 /nfs/dbraw/zinc/29/53/63/1310295363.db2.gz NKTWSUMTLAXCMS-UHFFFAOYSA-N 1 2 342.472 2.041 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](COCC)C1 ZINC001122529357 1310320055 /nfs/dbraw/zinc/32/00/55/1310320055.db2.gz ASBSDDCRFLRMBR-HZPDHXFCSA-N 1 2 333.480 2.484 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](COCC)C1 ZINC001122529357 1310320057 /nfs/dbraw/zinc/32/00/57/1310320057.db2.gz ASBSDDCRFLRMBR-HZPDHXFCSA-N 1 2 333.480 2.484 20 30 EEEDLO C=CC[NH+]1CCN(C(=S)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC001247208617 1310548166 /nfs/dbraw/zinc/54/81/66/1310548166.db2.gz TZAGYEZBAAZWPG-UHFFFAOYSA-N 1 2 346.500 2.024 20 30 EEEDLO C=CCCNC(=S)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001247615220 1310647791 /nfs/dbraw/zinc/64/77/91/1310647791.db2.gz VBECZARFBLLKPZ-UHFFFAOYSA-N 1 2 349.500 2.397 20 30 EEEDLO C=CCCNC(=S)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001247615220 1310647799 /nfs/dbraw/zinc/64/77/99/1310647799.db2.gz VBECZARFBLLKPZ-UHFFFAOYSA-N 1 2 349.500 2.397 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001123886339 1310749483 /nfs/dbraw/zinc/74/94/83/1310749483.db2.gz KNBZNLKXFOKSDM-CABCVRRESA-N 1 2 346.479 2.299 20 30 EEEDLO N#Cc1cccc(-c2noc(C[C@H]([NH3+])C(=O)OCc3ccccc3)n2)c1 ZINC001247967048 1310802462 /nfs/dbraw/zinc/80/24/62/1310802462.db2.gz HAEJYKMDSKXRNQ-INIZCTEOSA-N 1 2 348.362 2.221 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000831447781 1314592259 /nfs/dbraw/zinc/59/22/59/1314592259.db2.gz VGFWXDIZEDFZTB-OAHLLOKOSA-N 1 2 334.439 2.156 20 30 EEEDLO N#Cc1ccccc1OC1C[NH+](Cc2ccccc2-n2cncn2)C1 ZINC001139424901 1314742883 /nfs/dbraw/zinc/74/28/83/1314742883.db2.gz VROFWYKYRWUQFP-UHFFFAOYSA-N 1 2 331.379 2.402 20 30 EEEDLO CC1=NC2(CC[NH+](Cc3cccc(Cl)c3C#N)CC2)C(=O)N1C ZINC001139692548 1314760015 /nfs/dbraw/zinc/76/00/15/1314760015.db2.gz CANWSXRBRKXPEG-UHFFFAOYSA-N 1 2 330.819 2.437 20 30 EEEDLO C=CCn1cc(C[N@@H+]2Cc3c(cnn3CC)[C@H](COCC)C2)cn1 ZINC001139769459 1314768318 /nfs/dbraw/zinc/76/83/18/1314768318.db2.gz DULSJVJTPCPEQO-INIZCTEOSA-N 1 2 329.448 2.421 20 30 EEEDLO C=CCn1cc(C[N@H+]2Cc3c(cnn3CC)[C@H](COCC)C2)cn1 ZINC001139769459 1314768320 /nfs/dbraw/zinc/76/83/20/1314768320.db2.gz DULSJVJTPCPEQO-INIZCTEOSA-N 1 2 329.448 2.421 20 30 EEEDLO N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000834776792 1314876044 /nfs/dbraw/zinc/87/60/44/1314876044.db2.gz BLOJURYMNNUYJY-OAHLLOKOSA-N 1 2 343.818 2.015 20 30 EEEDLO C#Cc1cc(NC(=O)C=Cc2ccc(Cn3cc[nH+]c3)cc2)ccn1 ZINC001142368673 1315585636 /nfs/dbraw/zinc/58/56/36/1315585636.db2.gz VMBCCHFLZWFGOH-BQYQJAHWSA-N 1 2 328.375 2.382 20 30 EEEDLO N#Cc1ccc2c(C[NH+]3CCN(C(=O)c4ccccn4)CC3)c[nH]c2c1 ZINC001142931554 1315802342 /nfs/dbraw/zinc/80/23/42/1315802342.db2.gz RQXNEVPOYLSZSQ-UHFFFAOYSA-N 1 2 345.406 2.393 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@H](OCC)C(C)C)C1 ZINC001149848128 1316065352 /nfs/dbraw/zinc/06/53/52/1316065352.db2.gz JRFXIADBDPNEEC-CVEARBPZSA-N 1 2 346.899 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C[C@H](OCC)C(C)C)C1 ZINC001149848128 1316065357 /nfs/dbraw/zinc/06/53/57/1316065357.db2.gz JRFXIADBDPNEEC-CVEARBPZSA-N 1 2 346.899 2.397 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2cnc(C)cn2)CCCO1 ZINC001150138787 1316174612 /nfs/dbraw/zinc/17/46/12/1316174612.db2.gz FJDYSCIQYWSQAY-CRAIPNDOSA-N 1 2 346.475 2.094 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2cnc(C)cn2)CCCO1 ZINC001150138787 1316174618 /nfs/dbraw/zinc/17/46/18/1316174618.db2.gz FJDYSCIQYWSQAY-CRAIPNDOSA-N 1 2 346.475 2.094 20 30 EEEDLO CC#CCCCC(=O)NC[C@H]1C[N@H+](Cc2ccc(F)cn2)CCCO1 ZINC001150165153 1316186083 /nfs/dbraw/zinc/18/60/83/1316186083.db2.gz IKTYCROUFSAKHY-SFHVURJKSA-N 1 2 347.434 2.121 20 30 EEEDLO CC#CCCCC(=O)NC[C@H]1C[N@@H+](Cc2ccc(F)cn2)CCCO1 ZINC001150165153 1316186085 /nfs/dbraw/zinc/18/60/85/1316186085.db2.gz IKTYCROUFSAKHY-SFHVURJKSA-N 1 2 347.434 2.121 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)c2cc(Br)cn3ccnc23)CC1 ZINC001151649192 1316574843 /nfs/dbraw/zinc/57/48/43/1316574843.db2.gz JHMRKKYLYZGMSU-UHFFFAOYSA-N 1 2 349.232 2.041 20 30 EEEDLO CCN(Cc1ccccc1C#N)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942521 1318305845 /nfs/dbraw/zinc/30/58/45/1318305845.db2.gz WPNKVHDZMCIAJA-OAHLLOKOSA-N 1 2 339.443 2.090 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCOC ZINC001157422657 1318628524 /nfs/dbraw/zinc/62/85/24/1318628524.db2.gz MXVXIBOPMYLHOJ-CYBMUJFWSA-N 1 2 333.270 2.244 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCOC ZINC001157422657 1318628541 /nfs/dbraw/zinc/62/85/41/1318628541.db2.gz MXVXIBOPMYLHOJ-CYBMUJFWSA-N 1 2 333.270 2.244 20 30 EEEDLO N#CCC[NH2+]CC(=O)N1CCC2(CNc3ccc(Cl)cc32)CC1 ZINC001158064271 1318991503 /nfs/dbraw/zinc/99/15/03/1318991503.db2.gz KBAYEZIUNZFBMC-UHFFFAOYSA-N 1 2 332.835 2.129 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H](N1CC[NH2+]C[C@H]1C#N)C2 ZINC001257808833 1319082660 /nfs/dbraw/zinc/08/26/60/1319082660.db2.gz GAXANWXTSOJXFK-MDZRGWNJSA-N 1 2 348.491 2.354 20 30 EEEDLO CCCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC001259416203 1319560599 /nfs/dbraw/zinc/56/05/99/1319560599.db2.gz UWABOILBPIUDLB-UHFFFAOYSA-N 1 2 339.436 2.194 20 30 EEEDLO C[C@@H](C#N)C(=O)NCCC1=CC[N@H+](Cc2cc3n(n2)CCCC3)CC1 ZINC001159587126 1319902203 /nfs/dbraw/zinc/90/22/03/1319902203.db2.gz IPRXDHYICKXATA-HNNXBMFYSA-N 1 2 341.459 2.017 20 30 EEEDLO C[C@@H](C#N)C(=O)NCCC1=CC[N@@H+](Cc2cc3n(n2)CCCC3)CC1 ZINC001159587126 1319902210 /nfs/dbraw/zinc/90/22/10/1319902210.db2.gz IPRXDHYICKXATA-HNNXBMFYSA-N 1 2 341.459 2.017 20 30 EEEDLO CC[C@H](C)S(=O)(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001260752981 1319965532 /nfs/dbraw/zinc/96/55/32/1319965532.db2.gz UTSPXAXJHBVABY-AWEZNQCLSA-N 1 2 335.473 2.241 20 30 EEEDLO C=CC[C@H](NC(=O)C(=O)NCc1c[nH+]c(C)cc1C)c1ccncc1 ZINC001261397232 1322090031 /nfs/dbraw/zinc/09/00/31/1322090031.db2.gz VKADLUKPTXLIKO-KRWDZBQOSA-N 1 2 338.411 2.143 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@](C)(C(=O)OC)C1 ZINC001262948763 1322403045 /nfs/dbraw/zinc/40/30/45/1322403045.db2.gz WNHHGUNLNPBBFX-KBXCAEBGSA-N 1 2 347.463 2.010 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@](C)(C(=O)OC)C1 ZINC001262948763 1322403047 /nfs/dbraw/zinc/40/30/47/1322403047.db2.gz WNHHGUNLNPBBFX-KBXCAEBGSA-N 1 2 347.463 2.010 20 30 EEEDLO C#CCCN(CCOC)c1nnc([C@H]2CCC[N@@H+]2C)n1CC(=C)C ZINC001263301393 1322455240 /nfs/dbraw/zinc/45/52/40/1322455240.db2.gz OSHOLZYBTFGDAQ-MRXNPFEDSA-N 1 2 331.464 2.097 20 30 EEEDLO C#CCCN(CCOC)c1nnc([C@H]2CCC[N@H+]2C)n1CC(=C)C ZINC001263301393 1322455241 /nfs/dbraw/zinc/45/52/41/1322455241.db2.gz OSHOLZYBTFGDAQ-MRXNPFEDSA-N 1 2 331.464 2.097 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1nc(C)no1 ZINC001263341203 1322465962 /nfs/dbraw/zinc/46/59/62/1322465962.db2.gz GHGYEGMICNTGST-AWEZNQCLSA-N 1 2 345.451 2.339 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)Cc1nc(C)no1 ZINC001263341203 1322465966 /nfs/dbraw/zinc/46/59/66/1322465966.db2.gz GHGYEGMICNTGST-AWEZNQCLSA-N 1 2 345.451 2.339 20 30 EEEDLO C#CC[NH+]1CCN(Cc2c(C)nn(C(=O)OC(C)(C)C)c2C)CC1 ZINC001206814807 1323610603 /nfs/dbraw/zinc/61/06/03/1323610603.db2.gz UBZBBXWBLZVVFI-UHFFFAOYSA-N 1 2 332.448 2.034 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccn(CC)n2)C[C@H]1C)OCC ZINC001207254858 1323915952 /nfs/dbraw/zinc/91/59/52/1323915952.db2.gz BNZGPAOTUPPGAR-KBAYOESNSA-N 1 2 348.491 2.211 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccn(CC)n2)C[C@H]1C)OCC ZINC001207254858 1323915957 /nfs/dbraw/zinc/91/59/57/1323915957.db2.gz BNZGPAOTUPPGAR-KBAYOESNSA-N 1 2 348.491 2.211 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2nccc(C)n2)C[C@H]1C)OCC ZINC001207255342 1323916707 /nfs/dbraw/zinc/91/67/07/1323916707.db2.gz JYQUMDPBTJZNNI-DJIMGWMZSA-N 1 2 346.475 2.093 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2nccc(C)n2)C[C@H]1C)OCC ZINC001207255342 1323916710 /nfs/dbraw/zinc/91/67/10/1323916710.db2.gz JYQUMDPBTJZNNI-DJIMGWMZSA-N 1 2 346.475 2.093 20 30 EEEDLO C#CCCCCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2nc(COC)no2)C1 ZINC001207859568 1324183405 /nfs/dbraw/zinc/18/34/05/1324183405.db2.gz BFKKNKUYWJKILK-CABCVRRESA-N 1 2 348.447 2.051 20 30 EEEDLO C#CCCCC(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001207934276 1324220565 /nfs/dbraw/zinc/22/05/65/1324220565.db2.gz AYZNPYGGYHCDQP-HNNXBMFYSA-N 1 2 330.432 2.221 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)CC1CCCCC1 ZINC001316604628 1324314198 /nfs/dbraw/zinc/31/41/98/1324314198.db2.gz UAOPZKUDXLQUKR-SJLPKXTDSA-N 1 2 349.519 2.428 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)CC1CCCCC1 ZINC001316604628 1324314204 /nfs/dbraw/zinc/31/42/04/1324314204.db2.gz UAOPZKUDXLQUKR-SJLPKXTDSA-N 1 2 349.519 2.428 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2nocc2C)C[C@H]1C ZINC001208150409 1324338122 /nfs/dbraw/zinc/33/81/22/1324338122.db2.gz QATWVKHOQVLVGP-DDUZABMNSA-N 1 2 335.448 2.148 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2nocc2C)C[C@H]1C ZINC001208150409 1324338130 /nfs/dbraw/zinc/33/81/30/1324338130.db2.gz QATWVKHOQVLVGP-DDUZABMNSA-N 1 2 335.448 2.148 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nc(COC)no2)C1 ZINC001208255634 1324381004 /nfs/dbraw/zinc/38/10/04/1324381004.db2.gz NPQBWCSIUGTNNZ-KBPBESRZSA-N 1 2 336.436 2.214 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001209334340 1324904713 /nfs/dbraw/zinc/90/47/13/1324904713.db2.gz CHTKDXHTASOHAG-NSHDSACASA-N 1 2 328.363 2.444 20 30 EEEDLO COc1c(O)ccc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)c1[N+](=O)[O-] ZINC001308960316 1331610296 /nfs/dbraw/zinc/61/02/96/1331610296.db2.gz GDLMPCGJCSJHDA-UHFFFAOYSA-N 1 2 348.355 2.147 20 30 EEEDLO C#Cc1ccc(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC001336457686 1336546811 /nfs/dbraw/zinc/54/68/11/1336546811.db2.gz ORCZXODKEKRTQG-INIZCTEOSA-N 1 2 338.411 2.034 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@]3(C)CCc4ccccc4C3)n2C)CC1 ZINC001338123084 1336796824 /nfs/dbraw/zinc/79/68/24/1336796824.db2.gz QPMYZYLLSQGNAG-OAQYLSRUSA-N 1 2 349.482 2.017 20 30 EEEDLO C=C(C)CCC(=O)N1CCCO[C@@H](C[NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001200626753 1338479513 /nfs/dbraw/zinc/47/95/13/1338479513.db2.gz AEGPPLKZJVJICA-HNNXBMFYSA-N 1 2 348.447 2.010 20 30 EEEDLO N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@@H]([NH3+])c1c(F)cccc1F)C2 ZINC001580072409 1344465025 /nfs/dbraw/zinc/46/50/25/1344465025.db2.gz QXQIFVWGKAFTKT-DYVFJYSZSA-N 1 2 327.334 2.120 20 30 EEEDLO C[C@@H](C#N)C[N@H+](Cc1cc(-c2nn[nH]n2)ccc1N(C)C)C1CC1 ZINC001588934573 1348949430 /nfs/dbraw/zinc/94/94/30/1348949430.db2.gz PRHPWAFBQOAWPC-LBPRGKRZSA-N 1 2 325.420 2.057 20 30 EEEDLO C[C@@H](C#N)C[N@@H+](Cc1cc(-c2nn[nH]n2)ccc1N(C)C)C1CC1 ZINC001588934573 1348949434 /nfs/dbraw/zinc/94/94/34/1348949434.db2.gz PRHPWAFBQOAWPC-LBPRGKRZSA-N 1 2 325.420 2.057 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C(C)(C)C)on2)C1 ZINC001190094735 1368390623 /nfs/dbraw/zinc/39/06/23/1368390623.db2.gz MSYKKPKKEWWQDF-GOEBONIOSA-N 1 2 347.459 2.043 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C(C)(C)C)on2)C1 ZINC001190094735 1368390632 /nfs/dbraw/zinc/39/06/32/1368390632.db2.gz MSYKKPKKEWWQDF-GOEBONIOSA-N 1 2 347.459 2.043 20 30 EEEDLO Cc1cccc(N(C(=O)c2cccc(C#N)c2O)C2CC[NH2+]CC2)n1 ZINC001193646214 1368465734 /nfs/dbraw/zinc/46/57/34/1368465734.db2.gz FAFKPCPYEDFEKQ-UHFFFAOYSA-N 1 2 336.395 2.366 20 30 EEEDLO C#CCCCCC(=O)N1CCC[N@@H+](CC(=O)NC2CCCCC2)CC1 ZINC001195540461 1368549848 /nfs/dbraw/zinc/54/98/48/1368549848.db2.gz ASWZBLBLZWKNSD-UHFFFAOYSA-N 1 2 347.503 2.163 20 30 EEEDLO C#CCCCCC(=O)N1CCC[N@H+](CC(=O)NC2CCCCC2)CC1 ZINC001195540461 1368549850 /nfs/dbraw/zinc/54/98/50/1368549850.db2.gz ASWZBLBLZWKNSD-UHFFFAOYSA-N 1 2 347.503 2.163 20 30 EEEDLO CC(C)[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001196550755 1368595952 /nfs/dbraw/zinc/59/59/52/1368595952.db2.gz ULFXZDSVSISPKO-ZTFGCOKTSA-N 1 2 348.874 2.145 20 30 EEEDLO CC(C)[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001196550755 1368595959 /nfs/dbraw/zinc/59/59/59/1368595959.db2.gz ULFXZDSVSISPKO-ZTFGCOKTSA-N 1 2 348.874 2.145 20 30 EEEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(=O)c1cccs1 ZINC001273778925 1368659849 /nfs/dbraw/zinc/65/98/49/1368659849.db2.gz PZGFONZNQUFUFY-ZIAGYGMSSA-N 1 2 331.441 2.300 20 30 EEEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)c1cccs1 ZINC001273778925 1368659855 /nfs/dbraw/zinc/65/98/55/1368659855.db2.gz PZGFONZNQUFUFY-ZIAGYGMSSA-N 1 2 331.441 2.300 20 30 EEEDLO C=CCCCC(=O)N1CCC([NH2+]Cc2nsc(N(C)C)n2)CC1 ZINC001202267196 1368905456 /nfs/dbraw/zinc/90/54/56/1368905456.db2.gz XSFWHHUUNGAAHG-UHFFFAOYSA-N 1 2 337.493 2.041 20 30 EEEDLO C=C(C)[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cscn3)C[C@H]21)OCC ZINC001114357664 1369583056 /nfs/dbraw/zinc/58/30/56/1369583056.db2.gz GZASVIYMQUHNQJ-QSJFSLAZSA-N 1 2 335.473 2.061 20 30 EEEDLO C=C(C)[C@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cscn3)C[C@H]21)OCC ZINC001114357664 1369583058 /nfs/dbraw/zinc/58/30/58/1369583058.db2.gz GZASVIYMQUHNQJ-QSJFSLAZSA-N 1 2 335.473 2.061 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)C1CC1 ZINC001115310855 1371568589 /nfs/dbraw/zinc/56/85/89/1371568589.db2.gz CZRMWFBKRTYZPB-GCVYGYKWSA-N 1 2 327.266 2.378 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)C1CC1 ZINC001115310855 1371568594 /nfs/dbraw/zinc/56/85/94/1371568594.db2.gz CZRMWFBKRTYZPB-GCVYGYKWSA-N 1 2 327.266 2.378 20 30 EEEDLO C[C@H]1C[C@@H](Nc2ccc(C#N)nc2)CN1C(=O)CCCn1cc[nH+]c1 ZINC001123243375 1372113120 /nfs/dbraw/zinc/11/31/20/1372113120.db2.gz OBUSALCCKMCABU-WMLDXEAASA-N 1 2 338.415 2.031 20 30 EEEDLO N#Cc1ccc(CN2CCc3onc(Cn4cc[nH+]c4)c3C2)c(F)c1 ZINC001140136569 1372543721 /nfs/dbraw/zinc/54/37/21/1372543721.db2.gz GVUBPADFORMIRZ-UHFFFAOYSA-N 1 2 337.358 2.488 20 30 EEEDLO CN(Cc1ccc(C#N)nc1)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001140546278 1372600142 /nfs/dbraw/zinc/60/01/42/1372600142.db2.gz BYHAKNFRCMBUHS-HXUWFJFHSA-N 1 2 336.439 2.286 20 30 EEEDLO CN(Cc1ccc(C#N)nc1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001140546278 1372600145 /nfs/dbraw/zinc/60/01/45/1372600145.db2.gz BYHAKNFRCMBUHS-HXUWFJFHSA-N 1 2 336.439 2.286 20 30 EEEDLO CC(C)(C)c1cnc(C[NH2+]C2(CNC(=O)c3cc(C#N)c[nH]3)CC2)o1 ZINC001367990812 1374319076 /nfs/dbraw/zinc/31/90/76/1374319076.db2.gz KOOZQBOKRIMHHN-UHFFFAOYSA-N 1 2 341.415 2.224 20 30 EEEDLO CCCCc1noc([C@H](C)[NH2+][C@H](C)CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001371139252 1375253522 /nfs/dbraw/zinc/25/35/22/1375253522.db2.gz AWRPYFJACWTUKM-NEPJUHHUSA-N 1 2 344.419 2.081 20 30 EEEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)CC[C@H]3CCCO3)C2)ccc1F ZINC001373498453 1376535885 /nfs/dbraw/zinc/53/58/85/1376535885.db2.gz QRCTYABAIVGHQB-QGZVFWFLSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CC(F)(F)F)C2)c(F)c1 ZINC001378102399 1379714568 /nfs/dbraw/zinc/71/45/68/1379714568.db2.gz QDJXBAOFVWEGOE-GFCCVEGCSA-N 1 2 329.297 2.340 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CC(F)(F)F)C2)c(F)c1 ZINC001378102399 1379714569 /nfs/dbraw/zinc/71/45/69/1379714569.db2.gz QDJXBAOFVWEGOE-GFCCVEGCSA-N 1 2 329.297 2.340 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)c1ccccn1 ZINC001379005168 1380377474 /nfs/dbraw/zinc/37/74/74/1380377474.db2.gz FJESIEULALWDJB-UHFFFAOYSA-N 1 2 326.375 2.296 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)c1ccccn1 ZINC001379005168 1380377477 /nfs/dbraw/zinc/37/74/77/1380377477.db2.gz FJESIEULALWDJB-UHFFFAOYSA-N 1 2 326.375 2.296 20 30 EEEDLO CCc1nnc(N2CCC(C#N)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001381697251 1381727355 /nfs/dbraw/zinc/72/73/55/1381727355.db2.gz LLHHFZXXIHWDFT-UHFFFAOYSA-N 1 2 339.447 2.090 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C[C@H]1c2ccccc2NC1=O ZINC001390999005 1388955981 /nfs/dbraw/zinc/95/59/81/1388955981.db2.gz FTCWQIMUYABMRD-AWEZNQCLSA-N 1 2 335.835 2.303 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C[C@H]1c2ccccc2NC1=O ZINC001390999005 1388955985 /nfs/dbraw/zinc/95/59/85/1388955985.db2.gz FTCWQIMUYABMRD-AWEZNQCLSA-N 1 2 335.835 2.303 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2ccc3c(c2)COC3)C1 ZINC001394258523 1390663285 /nfs/dbraw/zinc/66/32/85/1390663285.db2.gz OZQPDLARCDZHJN-CYBMUJFWSA-N 1 2 334.847 2.448 20 30 EEEDLO C[N@H+](CCNC(=O)C#CC(C)(C)C)CC(=O)Nc1cccc(Cl)c1 ZINC001753049099 1406638250 /nfs/dbraw/zinc/63/82/50/1406638250.db2.gz RAOMOWNOVITBTE-UHFFFAOYSA-N 1 2 349.862 2.376 20 30 EEEDLO C[N@@H+](CCNC(=O)C#CC(C)(C)C)CC(=O)Nc1cccc(Cl)c1 ZINC001753049099 1406638255 /nfs/dbraw/zinc/63/82/55/1406638255.db2.gz RAOMOWNOVITBTE-UHFFFAOYSA-N 1 2 349.862 2.376 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](C)Cc1nsc2ccccc12 ZINC001753064005 1406658177 /nfs/dbraw/zinc/65/81/77/1406658177.db2.gz HPBHXLGOXZYTGK-ZBFHGGJFSA-N 1 2 345.468 2.435 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](C)Cc1nsc2ccccc12 ZINC001753064005 1406658187 /nfs/dbraw/zinc/65/81/87/1406658187.db2.gz HPBHXLGOXZYTGK-ZBFHGGJFSA-N 1 2 345.468 2.435 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC2CCC2)CC1(C)C ZINC001755414631 1407432054 /nfs/dbraw/zinc/43/20/54/1407432054.db2.gz ZPTJVQQGIICRSG-UZLBHIALSA-N 1 2 349.519 2.332 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)CC1(C)C ZINC001755414631 1407432058 /nfs/dbraw/zinc/43/20/58/1407432058.db2.gz ZPTJVQQGIICRSG-UZLBHIALSA-N 1 2 349.519 2.332 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1nc(C)oc1C ZINC001753098574 1406681242 /nfs/dbraw/zinc/68/12/42/1406681242.db2.gz NBRMNTUNPZWEGG-GDBMZVCRSA-N 1 2 335.448 2.353 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1Cc1nc(C)oc1C ZINC001753098574 1406681248 /nfs/dbraw/zinc/68/12/48/1406681248.db2.gz NBRMNTUNPZWEGG-GDBMZVCRSA-N 1 2 335.448 2.353 20 30 EEEDLO Cc1cc(C)c(C(=O)NCC2(NC(=O)[C@H](C)C#N)CCCC2)c(C)[nH+]1 ZINC001399154685 1394760885 /nfs/dbraw/zinc/76/08/85/1394760885.db2.gz XPHPJPKJNVYPOF-CYBMUJFWSA-N 1 2 342.443 2.325 20 30 EEEDLO C[C@H](CNC(=O)C(F)C(F)(F)F)C[NH2+]Cc1ccc(C#N)s1 ZINC001401109480 1396944421 /nfs/dbraw/zinc/94/44/21/1396944421.db2.gz ULSGIJAZLLGPGP-KWQFWETISA-N 1 2 337.342 2.362 20 30 EEEDLO C[C@H](CNC(=O)[C@H](F)C(F)(F)F)C[NH2+]Cc1ccc(C#N)s1 ZINC001401109480 1396944428 /nfs/dbraw/zinc/94/44/28/1396944428.db2.gz ULSGIJAZLLGPGP-KWQFWETISA-N 1 2 337.342 2.362 20 30 EEEDLO C[C@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1ncc(-c2cccs2)o1 ZINC001401353314 1397183644 /nfs/dbraw/zinc/18/36/44/1397183644.db2.gz FSMMUBOZOMLUAU-GFCCVEGCSA-N 1 2 332.429 2.453 20 30 EEEDLO C[C@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC001401353314 1397183650 /nfs/dbraw/zinc/18/36/50/1397183650.db2.gz FSMMUBOZOMLUAU-GFCCVEGCSA-N 1 2 332.429 2.453 20 30 EEEDLO Cc1nocc1C(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001401386704 1397218202 /nfs/dbraw/zinc/21/82/02/1397218202.db2.gz WRNVASKGOVAXEE-UHFFFAOYSA-N 1 2 330.363 2.198 20 30 EEEDLO Cc1nocc1C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001401386704 1397218210 /nfs/dbraw/zinc/21/82/10/1397218210.db2.gz WRNVASKGOVAXEE-UHFFFAOYSA-N 1 2 330.363 2.198 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC1CCCCCC1 ZINC001754496663 1406919856 /nfs/dbraw/zinc/91/98/56/1406919856.db2.gz XHIWCPZJYSMBFK-RDJZCZTQSA-N 1 2 335.492 2.228 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CC1CCCCCC1 ZINC001754496663 1406919860 /nfs/dbraw/zinc/91/98/60/1406919860.db2.gz XHIWCPZJYSMBFK-RDJZCZTQSA-N 1 2 335.492 2.228 20 30 EEEDLO C=CCOCC[NH+]1CC(N(C)C(=O)Cc2cccc(Cl)c2F)C1 ZINC001754583182 1406931560 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EEEDLO C=C[C@@H](C(=O)NCCC[N@H+](C)Cc1nccn1C)c1ccccc1 ZINC001752121038 1406215878 /nfs/dbraw/zinc/21/58/78/1406215878.db2.gz DXRJJYXPKIQFPE-QGZVFWFLSA-N 1 2 326.444 2.328 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1C[C@]2(C)C[N@H+](Cc3nncn3C)C[C@]2(C)C1 ZINC001755462258 1407496338 /nfs/dbraw/zinc/49/63/38/1407496338.db2.gz SJTCNZMIPKTIHM-ZYSHUDEJSA-N 1 2 345.491 2.088 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1C[C@]2(C)C[N@@H+](Cc3nncn3C)C[C@]2(C)C1 ZINC001755462258 1407496342 /nfs/dbraw/zinc/49/63/42/1407496342.db2.gz SJTCNZMIPKTIHM-ZYSHUDEJSA-N 1 2 345.491 2.088 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)CCC[NH2+]Cc2noc(CC)n2)cc1 ZINC001755508876 1407558021 /nfs/dbraw/zinc/55/80/21/1407558021.db2.gz AUPCATRNECFSDS-CQSZACIVSA-N 1 2 340.427 2.302 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([NH2+]Cc2nnc(CC)o2)[C@H]1C ZINC001755652985 1407706098 /nfs/dbraw/zinc/70/60/98/1407706098.db2.gz AUKABTAIEMPSAW-HIFRSBDPSA-N 1 2 332.448 2.479 20 30 EEEDLO C=CCCC(=O)NCC1=CC[N@H+](CC(=O)NCc2cccs2)CC1 ZINC001755883003 1407940233 /nfs/dbraw/zinc/94/02/33/1407940233.db2.gz YVOMGDFJJURJPZ-UHFFFAOYSA-N 1 2 347.484 2.079 20 30 EEEDLO C=CCCC(=O)NCC1=CC[N@@H+](CC(=O)NCc2cccs2)CC1 ZINC001755883003 1407940238 /nfs/dbraw/zinc/94/02/38/1407940238.db2.gz YVOMGDFJJURJPZ-UHFFFAOYSA-N 1 2 347.484 2.079 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001756028920 1408090019 /nfs/dbraw/zinc/09/00/19/1408090019.db2.gz BNZLLDHZVGYKLI-CABCVRRESA-N 1 2 346.475 2.011 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1CCCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001756118347 1408149156 /nfs/dbraw/zinc/14/91/56/1408149156.db2.gz BJURAOWXCYDAAK-WBVHZDCISA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1CCCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001756118347 1408149159 /nfs/dbraw/zinc/14/91/59/1408149159.db2.gz BJURAOWXCYDAAK-WBVHZDCISA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)CCC(=O)N[C@H](C)C1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001756145704 1408175876 /nfs/dbraw/zinc/17/58/76/1408175876.db2.gz GIJQIHCIFLBGDW-LSDHHAIUSA-N 1 2 332.448 2.154 20 30 EEEDLO C=CCCC(=O)N1CC([C@H](C)NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001756146715 1408177080 /nfs/dbraw/zinc/17/70/80/1408177080.db2.gz BHTRWXTYBBQUGT-DOTOQJQBSA-N 1 2 346.475 2.400 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001756180839 1408204695 /nfs/dbraw/zinc/20/46/95/1408204695.db2.gz XSRVUFAFHHPAPK-HNNXBMFYSA-N 1 2 344.459 2.074 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](C)CN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001756467089 1408637713 /nfs/dbraw/zinc/63/77/13/1408637713.db2.gz LJXPTYXVWIEFJR-LIRRHRJNSA-N 1 2 347.459 2.198 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001756596700 1409120729 /nfs/dbraw/zinc/12/07/29/1409120729.db2.gz WMXKSHRWEXZYHZ-LSDHHAIUSA-N 1 2 340.427 2.410 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001756944910 1409537707 /nfs/dbraw/zinc/53/77/07/1409537707.db2.gz NSGFWDQVXKQBFB-IRXDYDNUSA-N 1 2 346.475 2.230 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001757319532 1409664890 /nfs/dbraw/zinc/66/48/90/1409664890.db2.gz MQSLNNRONBVXNO-HRCADAONSA-N 1 2 346.475 2.448 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001104164564 1410798956 /nfs/dbraw/zinc/79/89/56/1410798956.db2.gz XNUYRUHGOQBXGO-GXTWGEPZSA-N 1 2 334.468 2.013 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001105979890 790313118 /nfs/dbraw/zinc/31/31/18/790313118.db2.gz DZXWDINCARCCHM-CQSZACIVSA-N 1 2 334.464 2.400 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nc(C2CCC2)no1 ZINC001087136545 759350906 /nfs/dbraw/zinc/35/09/06/759350906.db2.gz YHOVSAAIKWXPMS-IPYPFGDCSA-N 1 2 345.447 2.213 20 30 EEEDLO C#CCCCC(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CCO1 ZINC001104316940 759362345 /nfs/dbraw/zinc/36/23/45/759362345.db2.gz MJEWAAVXPBHVLV-MRXNPFEDSA-N 1 2 344.459 2.033 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4cccnc4s3)[C@H]2C1 ZINC001083239403 760234307 /nfs/dbraw/zinc/23/43/07/760234307.db2.gz UNESFXUCBXGASG-UONOGXRCSA-N 1 2 329.425 2.008 20 30 EEEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4cccnc4s3)[C@H]2C1 ZINC001083239403 760234310 /nfs/dbraw/zinc/23/43/10/760234310.db2.gz UNESFXUCBXGASG-UONOGXRCSA-N 1 2 329.425 2.008 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001098563282 760291954 /nfs/dbraw/zinc/29/19/54/760291954.db2.gz RGBSLNIXIRDWET-QAPCUYQASA-N 1 2 332.448 2.274 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)c3ccc(Cl)s3)[C@H]2C1 ZINC001083243810 760359101 /nfs/dbraw/zinc/35/91/01/760359101.db2.gz VQDOKAPICQXUGH-FRRDWIJNSA-N 1 2 338.860 2.050 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)c3ccc(Cl)s3)[C@H]2C1 ZINC001083243810 760359111 /nfs/dbraw/zinc/35/91/11/760359111.db2.gz VQDOKAPICQXUGH-FRRDWIJNSA-N 1 2 338.860 2.050 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CCN(C)c1cc[nH+]c(C)n1)C(C)C ZINC001125687414 761028687 /nfs/dbraw/zinc/02/86/87/761028687.db2.gz ZZRZNASVUAMQQW-CVEARBPZSA-N 1 2 332.448 2.049 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(F)cc3Cl)[C@H]2C1 ZINC001083264696 761249109 /nfs/dbraw/zinc/24/91/09/761249109.db2.gz LNJCLTNAHDZPJV-JKSUJKDBSA-N 1 2 336.794 2.028 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(F)cc3Cl)[C@H]2C1 ZINC001083264696 761249115 /nfs/dbraw/zinc/24/91/15/761249115.db2.gz LNJCLTNAHDZPJV-JKSUJKDBSA-N 1 2 336.794 2.028 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnns3)[C@H](C)C2)cc1 ZINC000947611179 761416873 /nfs/dbraw/zinc/41/68/73/761416873.db2.gz ICIHYXGBESZZRA-CJNGLKHVSA-N 1 2 340.452 2.302 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnns3)[C@H](C)C2)cc1 ZINC000947611179 761416877 /nfs/dbraw/zinc/41/68/77/761416877.db2.gz ICIHYXGBESZZRA-CJNGLKHVSA-N 1 2 340.452 2.302 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)[C@H](C)CNc2cnc(C#N)cn2)c(C)[nH+]1 ZINC001104883474 765501286 /nfs/dbraw/zinc/50/12/86/765501286.db2.gz KPHKDALPEKOWJN-CYBMUJFWSA-N 1 2 338.415 2.241 20 30 EEEDLO Cc1nc(N(C)CCCN(C)C(=O)[C@@H](C)C#N)c2c([nH+]1)CCCC2 ZINC001112061635 765537450 /nfs/dbraw/zinc/53/74/50/765537450.db2.gz HEDVCIBXCFSEDY-ZDUSSCGKSA-N 1 2 329.448 2.108 20 30 EEEDLO CC(C)C[C@H](CNc1ccc(C#N)cn1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001105002127 768834661 /nfs/dbraw/zinc/83/46/61/768834661.db2.gz VGSPEFMONVCECT-MRXNPFEDSA-N 1 2 340.431 2.252 20 30 EEEDLO CC(C)C[C@H](CNc1ccc(C#N)cn1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001105002127 768834664 /nfs/dbraw/zinc/83/46/64/768834664.db2.gz VGSPEFMONVCECT-MRXNPFEDSA-N 1 2 340.431 2.252 20 30 EEEDLO Cc1cccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001031555255 769585505 /nfs/dbraw/zinc/58/55/05/769585505.db2.gz PCROORILSCSCLK-UHFFFAOYSA-N 1 2 338.386 2.263 20 30 EEEDLO CC(C)[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)Nc1ccncc1C#N ZINC001105309433 769671402 /nfs/dbraw/zinc/67/14/02/769671402.db2.gz RUQOKMGIJRTUOR-SFHVURJKSA-N 1 2 348.410 2.118 20 30 EEEDLO Cc1cc(C(=O)NCC2C[NH+](CC#Cc3cccc(Cl)c3)C2)[nH]n1 ZINC001031562246 769681977 /nfs/dbraw/zinc/68/19/77/769681977.db2.gz LVGSVSMMCMQCSL-UHFFFAOYSA-N 1 2 342.830 2.085 20 30 EEEDLO CCO[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001031565581 769719429 /nfs/dbraw/zinc/71/94/29/769719429.db2.gz OMCJFLPSUCPKMH-ZWKOTPCHSA-N 1 2 346.858 2.165 20 30 EEEDLO C[C@H](C[C@H](C)Nc1ncc(C#N)cc1F)NC(=O)CCc1c[nH]c[nH+]1 ZINC001089499125 769914515 /nfs/dbraw/zinc/91/45/15/769914515.db2.gz LABXSBFCYMBXBE-NEPJUHHUSA-N 1 2 344.394 2.143 20 30 EEEDLO C[C@H](C[C@H](C)Nc1ncc(C#N)cc1F)NC(=O)CCc1c[nH+]c[nH]1 ZINC001089499125 769914523 /nfs/dbraw/zinc/91/45/23/769914523.db2.gz LABXSBFCYMBXBE-NEPJUHHUSA-N 1 2 344.394 2.143 20 30 EEEDLO CC(C)C(=O)NC[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC001149175195 769923968 /nfs/dbraw/zinc/92/39/68/769923968.db2.gz OHTMZKFBWUTRJC-INIZCTEOSA-N 1 2 333.407 2.060 20 30 EEEDLO CC(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC001149175195 769923979 /nfs/dbraw/zinc/92/39/79/769923979.db2.gz OHTMZKFBWUTRJC-INIZCTEOSA-N 1 2 333.407 2.060 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C)n1 ZINC001126109822 770003999 /nfs/dbraw/zinc/00/39/99/770003999.db2.gz LJTNDVYVBTXCOE-HNNXBMFYSA-N 1 2 340.431 2.170 20 30 EEEDLO C[C@H](C[C@H](C)NC(=O)CCc1[nH+]ccn1C)Nc1ccc(C#N)cn1 ZINC001089523690 770096419 /nfs/dbraw/zinc/09/64/19/770096419.db2.gz JBNXKRFNSXLXIH-KGLIPLIRSA-N 1 2 340.431 2.015 20 30 EEEDLO Cc1ccn(C)c1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031631842 770481795 /nfs/dbraw/zinc/48/17/95/770481795.db2.gz FJHNHMZUZQJBHH-UHFFFAOYSA-N 1 2 340.402 2.206 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)s1 ZINC001027836731 773300538 /nfs/dbraw/zinc/30/05/38/773300538.db2.gz WVYIQCFDRXKPQL-CQSZACIVSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1cnc(C[N@H+]2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)s1 ZINC001027836731 773300546 /nfs/dbraw/zinc/30/05/46/773300546.db2.gz WVYIQCFDRXKPQL-CQSZACIVSA-N 1 2 329.429 2.046 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(=O)CC ZINC001027903044 774185496 /nfs/dbraw/zinc/18/54/96/774185496.db2.gz CEEHRRVGKQJSOI-CABCVRRESA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C(=O)CC ZINC001027903044 774185502 /nfs/dbraw/zinc/18/55/02/774185502.db2.gz CEEHRRVGKQJSOI-CABCVRRESA-N 1 2 341.883 2.111 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)N(CC)c1[nH+]cnc2c1cnn2C ZINC001089695299 774446755 /nfs/dbraw/zinc/44/67/55/774446755.db2.gz AXWAWFZGMDBSSY-CYBMUJFWSA-N 1 2 344.463 2.297 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)N(CC)c1[nH+]cnc2c1cnn2C ZINC001089723493 774740102 /nfs/dbraw/zinc/74/01/02/774740102.db2.gz XVWRAOAVHYIVTO-KGLIPLIRSA-N 1 2 344.463 2.297 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032046790 783202862 /nfs/dbraw/zinc/20/28/62/783202862.db2.gz AWAPUECQXHJFRL-OALUTQOASA-N 1 2 339.439 2.087 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001031773721 775361467 /nfs/dbraw/zinc/36/14/67/775361467.db2.gz YZYQDKDMVFUKAY-UHFFFAOYSA-N 1 2 345.406 2.296 20 30 EEEDLO N#Cc1ccccc1CN1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001031773721 775361479 /nfs/dbraw/zinc/36/14/79/775361479.db2.gz YZYQDKDMVFUKAY-UHFFFAOYSA-N 1 2 345.406 2.296 20 30 EEEDLO CCO[C@H]1C[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000980748818 775434625 /nfs/dbraw/zinc/43/46/25/775434625.db2.gz NQDUVFREFBGPKS-HOTGVXAUSA-N 1 2 333.457 2.079 20 30 EEEDLO CCO[C@H]1C[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000980748818 775434629 /nfs/dbraw/zinc/43/46/29/775434629.db2.gz NQDUVFREFBGPKS-HOTGVXAUSA-N 1 2 333.457 2.079 20 30 EEEDLO CO[C@@H]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001031790511 775705545 /nfs/dbraw/zinc/70/55/45/775705545.db2.gz CHJPXXDHKWIOGI-DOTOQJQBSA-N 1 2 345.418 2.060 20 30 EEEDLO CO[C@@H]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031794009 775747299 /nfs/dbraw/zinc/74/72/99/775747299.db2.gz QKQQTUFHMBEPNC-SJLPKXTDSA-N 1 2 345.418 2.060 20 30 EEEDLO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c2ccccc2c1=O ZINC001027995934 775811608 /nfs/dbraw/zinc/81/16/08/775811608.db2.gz WYWGKYRVYGTRDY-AWEZNQCLSA-N 1 2 325.412 2.298 20 30 EEEDLO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]c2ccccc2c1=O ZINC001027995934 775811617 /nfs/dbraw/zinc/81/16/17/775811617.db2.gz WYWGKYRVYGTRDY-AWEZNQCLSA-N 1 2 325.412 2.298 20 30 EEEDLO CCC[C@@H](C)CCCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001212330854 775867710 /nfs/dbraw/zinc/86/77/10/775867710.db2.gz WMPFEPYBGBLTHH-KZNAEPCWSA-N 1 2 338.492 2.058 20 30 EEEDLO CCC[C@@H](C)CCCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001212330854 775867716 /nfs/dbraw/zinc/86/77/16/775867716.db2.gz WMPFEPYBGBLTHH-KZNAEPCWSA-N 1 2 338.492 2.058 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cnc(C)cn2)C[C@H]1OC ZINC001212338139 776132688 /nfs/dbraw/zinc/13/26/88/776132688.db2.gz FNUCJEJMIQUCTN-USXIJHARSA-N 1 2 346.475 2.264 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cnc(C)cn2)C[C@H]1OC ZINC001212338139 776132721 /nfs/dbraw/zinc/13/27/21/776132721.db2.gz FNUCJEJMIQUCTN-USXIJHARSA-N 1 2 346.475 2.264 20 30 EEEDLO CCOC1CC(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)C1 ZINC000981096441 776498938 /nfs/dbraw/zinc/49/89/38/776498938.db2.gz KGEYYYQMEHFLOI-UHFFFAOYSA-N 1 2 340.467 2.388 20 30 EEEDLO CCOC1CC(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)C1 ZINC000981096441 776498941 /nfs/dbraw/zinc/49/89/41/776498941.db2.gz KGEYYYQMEHFLOI-UHFFFAOYSA-N 1 2 340.467 2.388 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCCN(c3cc[nH+]c(C)n3)C2)cn1 ZINC001060361832 790518522 /nfs/dbraw/zinc/51/85/22/790518522.db2.gz TVCADXJMIVHYFO-YOEHRIQHSA-N 1 2 349.438 2.196 20 30 EEEDLO CO[C@@H]1CCC[C@@H]1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981487175 777501328 /nfs/dbraw/zinc/50/13/28/777501328.db2.gz PZVVVLAZUQKGNS-VQTJNVASSA-N 1 2 340.467 2.388 20 30 EEEDLO CO[C@@H]1CCC[C@@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981487175 777501334 /nfs/dbraw/zinc/50/13/34/777501334.db2.gz PZVVVLAZUQKGNS-VQTJNVASSA-N 1 2 340.467 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCc2cncc(OC)c2)CC1 ZINC000981591329 777728205 /nfs/dbraw/zinc/72/82/05/777728205.db2.gz ZVRRETUOZQIIET-UHFFFAOYSA-N 1 2 337.851 2.310 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCc2cncc(OC)c2)CC1 ZINC000981591329 777728212 /nfs/dbraw/zinc/72/82/12/777728212.db2.gz ZVRRETUOZQIIET-UHFFFAOYSA-N 1 2 337.851 2.310 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1C[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091392467 790584256 /nfs/dbraw/zinc/58/42/56/790584256.db2.gz ZSMLFMYYFNDFNX-YUELXQCFSA-N 1 2 346.479 2.155 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2nc(C)oc2C)c1 ZINC001028126642 778267973 /nfs/dbraw/zinc/26/79/73/778267973.db2.gz NMWQCJZIXWYARY-KRWDZBQOSA-N 1 2 338.411 2.062 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2nc(C)oc2C)c1 ZINC001028126642 778267979 /nfs/dbraw/zinc/26/79/79/778267979.db2.gz NMWQCJZIXWYARY-KRWDZBQOSA-N 1 2 338.411 2.062 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cc(C2CC2)on1 ZINC001031883118 778530033 /nfs/dbraw/zinc/53/00/33/778530033.db2.gz ZPWCGNYWBQVFQI-UHFFFAOYSA-N 1 2 335.407 2.265 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CCC[N@H+](Cc1nc(C)no1)C2 ZINC000981979552 778742084 /nfs/dbraw/zinc/74/20/84/778742084.db2.gz CAXVLTVVSXXPGD-QGZVFWFLSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CCC[N@@H+](Cc1nc(C)no1)C2 ZINC000981979552 778742090 /nfs/dbraw/zinc/74/20/90/778742090.db2.gz CAXVLTVVSXXPGD-QGZVFWFLSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCC[N@H+](Cc1nccn1C)C2 ZINC000981979681 778745078 /nfs/dbraw/zinc/74/50/78/778745078.db2.gz HZCDKGLIBFRYSV-SFHVURJKSA-N 1 2 330.476 2.447 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCC[N@@H+](Cc1nccn1C)C2 ZINC000981979681 778745081 /nfs/dbraw/zinc/74/50/81/778745081.db2.gz HZCDKGLIBFRYSV-SFHVURJKSA-N 1 2 330.476 2.447 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N(CC)CCNc1[nH+]cnc2c1cnn2C ZINC001106923654 778778386 /nfs/dbraw/zinc/77/83/86/778778386.db2.gz DLUJDICYWWILLX-STQMWFEESA-N 1 2 330.436 2.082 20 30 EEEDLO NC(=O)c1ccc(C(=[NH2+])Nc2ccccc2C(=O)N2CCCC2)cc1 ZINC001171256988 790727774 /nfs/dbraw/zinc/72/77/74/790727774.db2.gz UQUZPJJXGHQERN-UHFFFAOYSA-N 1 2 336.395 2.059 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cc(C)on2)C1 ZINC001087451681 780657430 /nfs/dbraw/zinc/65/74/30/780657430.db2.gz FNCCNMLRIBWUOY-SJLPKXTDSA-N 1 2 341.386 2.343 20 30 EEEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cc(C)on2)C1 ZINC001087451681 780657435 /nfs/dbraw/zinc/65/74/35/780657435.db2.gz FNCCNMLRIBWUOY-SJLPKXTDSA-N 1 2 341.386 2.343 20 30 EEEDLO C=CCOCCCC(=O)N1CCC[C@@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001098678289 780859689 /nfs/dbraw/zinc/85/96/89/780859689.db2.gz PSAGVEUVNPWTHU-MRXNPFEDSA-N 1 2 332.448 2.195 20 30 EEEDLO C#Cc1cncc(C(=O)NCC2C[NH+](Cc3cccc(F)c3F)C2)c1 ZINC001031965550 780873297 /nfs/dbraw/zinc/87/32/97/780873297.db2.gz NWFFZXDJOXAUIS-UHFFFAOYSA-N 1 2 341.361 2.203 20 30 EEEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cocn2)C1 ZINC001087462921 780963915 /nfs/dbraw/zinc/96/39/15/780963915.db2.gz GLLDDCUTKVCPPA-HZPDHXFCSA-N 1 2 327.359 2.035 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cocn2)C1 ZINC001087462921 780963921 /nfs/dbraw/zinc/96/39/21/780963921.db2.gz GLLDDCUTKVCPPA-HZPDHXFCSA-N 1 2 327.359 2.035 20 30 EEEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)C1CCCCCC1 ZINC001083366279 781003965 /nfs/dbraw/zinc/00/39/65/781003965.db2.gz AUWGCEYTFYQBLQ-UXHICEINSA-N 1 2 340.467 2.170 20 30 EEEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)C1CCCCCC1 ZINC001083366279 781003971 /nfs/dbraw/zinc/00/39/71/781003971.db2.gz AUWGCEYTFYQBLQ-UXHICEINSA-N 1 2 340.467 2.170 20 30 EEEDLO C=C1CCC(C(=O)N2CCCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)CC1 ZINC000941801114 781117197 /nfs/dbraw/zinc/11/71/97/781117197.db2.gz WVSLSMICQJUYPO-UHFFFAOYSA-N 1 2 344.459 2.068 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCCCC[C@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001088280872 783349225 /nfs/dbraw/zinc/34/92/25/783349225.db2.gz CROIVNOKJIPOFE-ZFWWWQNUSA-N 1 2 345.447 2.358 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)OCc2cccc(C)c2)C1 ZINC001108101800 783358444 /nfs/dbraw/zinc/35/84/44/783358444.db2.gz RSXJPMYLCQOLDY-XLIONFOSSA-N 1 2 346.471 2.293 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)OCc2cccc(C)c2)C1 ZINC001108101800 783358453 /nfs/dbraw/zinc/35/84/53/783358453.db2.gz RSXJPMYLCQOLDY-XLIONFOSSA-N 1 2 346.471 2.293 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nc(C)sc2C)C1 ZINC001131946527 783510285 /nfs/dbraw/zinc/51/02/85/783510285.db2.gz KMNSTDHVWWMVEQ-WFASDCNBSA-N 1 2 337.489 2.432 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nc(C)sc2C)C1 ZINC001131946527 783510290 /nfs/dbraw/zinc/51/02/90/783510290.db2.gz KMNSTDHVWWMVEQ-WFASDCNBSA-N 1 2 337.489 2.432 20 30 EEEDLO CC(C)[N@@H+]1CCn2ncc(CNC(=O)CC#Cc3ccccc3)c2C1 ZINC001128586154 783515871 /nfs/dbraw/zinc/51/58/71/783515871.db2.gz JHXSYOQDCMTXRM-UHFFFAOYSA-N 1 2 336.439 2.165 20 30 EEEDLO CC(C)[N@H+]1CCn2ncc(CNC(=O)CC#Cc3ccccc3)c2C1 ZINC001128586154 783515875 /nfs/dbraw/zinc/51/58/75/783515875.db2.gz JHXSYOQDCMTXRM-UHFFFAOYSA-N 1 2 336.439 2.165 20 30 EEEDLO Cc1nc(N[C@H](C)C2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)cc[nH+]1 ZINC001061833616 783670248 /nfs/dbraw/zinc/67/02/48/783670248.db2.gz DNUJJBHDMWSJQX-GFCCVEGCSA-N 1 2 338.415 2.338 20 30 EEEDLO C=CCOCCCC(=O)NCC[NH2+][C@@H](C)c1nc(CCCC)no1 ZINC001125259749 783672237 /nfs/dbraw/zinc/67/22/37/783672237.db2.gz CUYJACUJJDTZOM-AWEZNQCLSA-N 1 2 338.452 2.162 20 30 EEEDLO C[C@H](C[C@H](C)NC(=O)c1[nH]ncc1F)[NH2+]CC#Cc1ccccc1 ZINC001135408194 783720867 /nfs/dbraw/zinc/72/08/67/783720867.db2.gz UCKNZSMEBFBGDH-KGLIPLIRSA-N 1 2 328.391 2.087 20 30 EEEDLO C#CCC1(C(=O)NCC[NH2+]Cc2noc(-c3ccccc3)n2)CCC1 ZINC001129142728 784218959 /nfs/dbraw/zinc/21/89/59/784218959.db2.gz LYZOINVVFFLYLL-UHFFFAOYSA-N 1 2 338.411 2.136 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)CC1 ZINC000945504082 784225207 /nfs/dbraw/zinc/22/52/07/784225207.db2.gz YGADAZQTMWUOKB-YOEHRIQHSA-N 1 2 344.459 2.052 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cncc(-c3ccccc3)c2)C1 ZINC001035388294 784428154 /nfs/dbraw/zinc/42/81/54/784428154.db2.gz DHOOGGLHZRJESP-FQEVSTJZSA-N 1 2 349.434 2.203 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cncc(-c3ccccc3)c2)C1 ZINC001035388294 784428162 /nfs/dbraw/zinc/42/81/62/784428162.db2.gz DHOOGGLHZRJESP-FQEVSTJZSA-N 1 2 349.434 2.203 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](N(C)C(=O)CCCn2cc[nH+]c2)CC1 ZINC001078993300 784595021 /nfs/dbraw/zinc/59/50/21/784595021.db2.gz QJYJEWAMSWTUEL-KRWDZBQOSA-N 1 2 346.475 2.469 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001035546102 784654365 /nfs/dbraw/zinc/65/43/65/784654365.db2.gz YPXUYJLSYVUFCQ-NZSAHSFTSA-N 1 2 328.456 2.492 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001035546102 784654371 /nfs/dbraw/zinc/65/43/71/784654371.db2.gz YPXUYJLSYVUFCQ-NZSAHSFTSA-N 1 2 328.456 2.492 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(C(F)(F)F)n2)C1 ZINC001035553471 784723650 /nfs/dbraw/zinc/72/36/50/784723650.db2.gz CZXAVIMUAUDYGY-LBPRGKRZSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(C(F)(F)F)n2)C1 ZINC001035553471 784723657 /nfs/dbraw/zinc/72/36/57/784723657.db2.gz CZXAVIMUAUDYGY-LBPRGKRZSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(-c3ccccc3)ccn2)C1 ZINC001035559240 784732371 /nfs/dbraw/zinc/73/23/71/784732371.db2.gz XNKATZFIVPQMOO-SFHVURJKSA-N 1 2 337.423 2.365 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(-c3ccccc3)ccn2)C1 ZINC001035559240 784732378 /nfs/dbraw/zinc/73/23/78/784732378.db2.gz XNKATZFIVPQMOO-SFHVURJKSA-N 1 2 337.423 2.365 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cccc3ccsc32)C1 ZINC001035564690 784742213 /nfs/dbraw/zinc/74/22/13/784742213.db2.gz YUVKMBYEXQNALJ-HNNXBMFYSA-N 1 2 328.437 2.355 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cccc3ccsc32)C1 ZINC001035564690 784742217 /nfs/dbraw/zinc/74/22/17/784742217.db2.gz YUVKMBYEXQNALJ-HNNXBMFYSA-N 1 2 328.437 2.355 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2sccc2C(F)F)C1 ZINC001035597168 784751322 /nfs/dbraw/zinc/75/13/22/784751322.db2.gz VXIQWCVZERAQJE-NSHDSACASA-N 1 2 328.384 2.140 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2sccc2C(F)F)C1 ZINC001035597168 784751327 /nfs/dbraw/zinc/75/13/27/784751327.db2.gz VXIQWCVZERAQJE-NSHDSACASA-N 1 2 328.384 2.140 20 30 EEEDLO N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000907877911 784929899 /nfs/dbraw/zinc/92/98/99/784929899.db2.gz NKNBSFTYNHMUQM-INIZCTEOSA-N 1 2 343.818 2.015 20 30 EEEDLO N#Cc1ccc(C(=O)N2CCC3(C[NH+](Cc4nccs4)C3)CC2)[nH]1 ZINC001035688085 784942904 /nfs/dbraw/zinc/94/29/04/784942904.db2.gz JFYLJNGAZOXDRI-UHFFFAOYSA-N 1 2 341.440 2.081 20 30 EEEDLO Cc1ncc(C(=O)N2CCC3(C[NH+](Cc4cccc(C#N)c4)C3)CC2)[nH]1 ZINC001035670716 784960521 /nfs/dbraw/zinc/96/05/21/784960521.db2.gz NXHGUMWZKAFTGK-UHFFFAOYSA-N 1 2 349.438 2.328 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCOCC1)CC2 ZINC001035695842 784972589 /nfs/dbraw/zinc/97/25/89/784972589.db2.gz CTRLJADZMCFQQX-HNNXBMFYSA-N 1 2 326.868 2.480 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1c(C)nn(C)c1C)CC2 ZINC001035763437 785081137 /nfs/dbraw/zinc/08/11/37/785081137.db2.gz YYNURFIJMONIRW-UHFFFAOYSA-N 1 2 336.867 2.327 20 30 EEEDLO CCCc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)[nH]n1 ZINC001032553628 791118997 /nfs/dbraw/zinc/11/89/97/791118997.db2.gz IFVFWUGONYDWEU-ROUUACIJSA-N 1 2 349.438 2.333 20 30 EEEDLO CCCc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)[nH]n1 ZINC001032553628 791119019 /nfs/dbraw/zinc/11/90/19/791119019.db2.gz IFVFWUGONYDWEU-ROUUACIJSA-N 1 2 349.438 2.333 20 30 EEEDLO C=CCn1c(COCC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000908649359 785605048 /nfs/dbraw/zinc/60/50/48/785605048.db2.gz WSJWJSNZBHYLMM-UHFFFAOYSA-N 1 2 342.447 2.477 20 30 EEEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000908660381 785613776 /nfs/dbraw/zinc/61/37/76/785613776.db2.gz SHSGDFJMFUUTAL-INIZCTEOSA-N 1 2 331.416 2.410 20 30 EEEDLO C[C@@H]1CCCN(C(=O)C#CC2CC2)[C@H]1C[NH2+]Cc1noc(C2CC2)n1 ZINC001036545372 786630976 /nfs/dbraw/zinc/63/09/76/786630976.db2.gz UAXWVDMOTORNOI-CJNGLKHVSA-N 1 2 342.443 2.077 20 30 EEEDLO C[C@H]1CCCN(C(=O)C#CC2CC2)[C@@H]1C[NH2+]Cc1noc(C2CC2)n1 ZINC001036545374 786631458 /nfs/dbraw/zinc/63/14/58/786631458.db2.gz UAXWVDMOTORNOI-XJKSGUPXSA-N 1 2 342.443 2.077 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CCC(F)(F)CC2)[C@H](O)C1 ZINC001090598576 787187663 /nfs/dbraw/zinc/18/76/63/787187663.db2.gz YAKGUDWKINOMEV-QWHCGFSZSA-N 1 2 336.810 2.116 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CCC(F)(F)CC2)[C@H](O)C1 ZINC001090598576 787187668 /nfs/dbraw/zinc/18/76/68/787187668.db2.gz YAKGUDWKINOMEV-QWHCGFSZSA-N 1 2 336.810 2.116 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(CC)cc2)[C@@H](O)C1 ZINC001090607352 787299467 /nfs/dbraw/zinc/29/94/67/787299467.db2.gz UYMLJLLADPOUOJ-SJORKVTESA-N 1 2 336.863 2.095 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(CC)cc2)[C@@H](O)C1 ZINC001090607352 787299473 /nfs/dbraw/zinc/29/94/73/787299473.db2.gz UYMLJLLADPOUOJ-SJORKVTESA-N 1 2 336.863 2.095 20 30 EEEDLO Cc1nsc(NC/C=C/CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1C#N ZINC001107549125 787600524 /nfs/dbraw/zinc/60/05/24/787600524.db2.gz GXPNEZGKQNZYAJ-PGLGOXFNSA-N 1 2 344.444 2.009 20 30 EEEDLO Cc1nsc(NC/C=C/CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1C#N ZINC001107549125 787600527 /nfs/dbraw/zinc/60/05/27/787600527.db2.gz GXPNEZGKQNZYAJ-PGLGOXFNSA-N 1 2 344.444 2.009 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001060769444 787630871 /nfs/dbraw/zinc/63/08/71/787630871.db2.gz KZKAKNACHFRPOI-WKILWMFISA-N 1 2 346.475 2.408 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)/C=C/C2CC2)cc1F ZINC001032331054 787700675 /nfs/dbraw/zinc/70/06/75/787700675.db2.gz SLBCCEHPHHPPOM-XQTSXYSPSA-N 1 2 325.387 2.449 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)/C=C/C2CC2)cc1F ZINC001032331054 787700682 /nfs/dbraw/zinc/70/06/82/787700682.db2.gz SLBCCEHPHHPPOM-XQTSXYSPSA-N 1 2 325.387 2.449 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001062286885 787812210 /nfs/dbraw/zinc/81/22/10/787812210.db2.gz SERXFYIXNUCPCZ-MRXNPFEDSA-N 1 2 346.475 2.373 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001062344371 787933361 /nfs/dbraw/zinc/93/33/61/787933361.db2.gz QWJYWELRLNYGMC-HUUCEWRRSA-N 1 2 344.459 2.293 20 30 EEEDLO C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1)n1cccc1 ZINC001032356133 788210968 /nfs/dbraw/zinc/21/09/68/788210968.db2.gz NLJGXSJEIFCTSP-SNRMKQJTSA-N 1 2 334.423 2.406 20 30 EEEDLO C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1)n1cccc1 ZINC001032356133 788210973 /nfs/dbraw/zinc/21/09/73/788210973.db2.gz NLJGXSJEIFCTSP-SNRMKQJTSA-N 1 2 334.423 2.406 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079019996 788298821 /nfs/dbraw/zinc/29/88/21/788298821.db2.gz UXVXEDJVVCLXPT-HNNXBMFYSA-N 1 2 346.475 2.394 20 30 EEEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(OC)cc3c2O[C@@H](C)C3)CC1 ZINC000824867056 788327383 /nfs/dbraw/zinc/32/73/83/788327383.db2.gz LGSPXAGIUVCXQZ-ZDUSSCGKSA-N 1 2 344.411 2.297 20 30 EEEDLO CN1CC[NH+](Cc2cccc(NC(=O)C#Cc3cccs3)c2)CC1 ZINC000825405878 788616802 /nfs/dbraw/zinc/61/68/02/788616802.db2.gz UKSFMIBHSHTGFC-UHFFFAOYSA-N 1 2 339.464 2.486 20 30 EEEDLO CC[N@H+](CCC#N)Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825419990 788626797 /nfs/dbraw/zinc/62/67/97/788626797.db2.gz XEJAIGCJQMSTJV-UHFFFAOYSA-N 1 2 336.403 2.003 20 30 EEEDLO CC[N@@H+](CCC#N)Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825419990 788626803 /nfs/dbraw/zinc/62/68/03/788626803.db2.gz XEJAIGCJQMSTJV-UHFFFAOYSA-N 1 2 336.403 2.003 20 30 EEEDLO C[C@]1(CNC(=O)C2CC=CC2)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107834125 788648620 /nfs/dbraw/zinc/64/86/20/788648620.db2.gz VWBXIGAKFRPYDX-FQEVSTJZSA-N 1 2 339.439 2.232 20 30 EEEDLO C[C@]1(CNC(=O)C2CC=CC2)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107834125 788648624 /nfs/dbraw/zinc/64/86/24/788648624.db2.gz VWBXIGAKFRPYDX-FQEVSTJZSA-N 1 2 339.439 2.232 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212146264 789106127 /nfs/dbraw/zinc/10/61/27/789106127.db2.gz NGUXQTDITUDMIL-RTBURBONSA-N 1 2 339.439 2.067 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212146264 789106135 /nfs/dbraw/zinc/10/61/35/789106135.db2.gz NGUXQTDITUDMIL-RTBURBONSA-N 1 2 339.439 2.067 20 30 EEEDLO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3cncc(C#N)c3)C2)C1 ZINC001144074095 789200308 /nfs/dbraw/zinc/20/03/08/789200308.db2.gz COIQXRPMKMIZIQ-UHFFFAOYSA-N 1 2 328.416 2.396 20 30 EEEDLO N#Cc1cncc(C[N@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)c1 ZINC001144085141 789228260 /nfs/dbraw/zinc/22/82/60/789228260.db2.gz UGFBTOLEWXCUNI-GOSISDBHSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1cncc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)c1 ZINC001144085141 789228266 /nfs/dbraw/zinc/22/82/66/789228266.db2.gz UGFBTOLEWXCUNI-GOSISDBHSA-N 1 2 338.386 2.487 20 30 EEEDLO C[C@H](CC(=O)OCC(=O)Nc1ccc(CC#N)cc1)n1cc[nH+]c1 ZINC000845276889 789703168 /nfs/dbraw/zinc/70/31/68/789703168.db2.gz DFWDZNFTMSQMOM-CYBMUJFWSA-N 1 2 326.356 2.082 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc3occc3c2)C1 ZINC001107958860 789914044 /nfs/dbraw/zinc/91/40/44/789914044.db2.gz AKNGALJSBQTFAE-LJQANCHMSA-N 1 2 326.396 2.277 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc3occc3c2)C1 ZINC001107958860 789914049 /nfs/dbraw/zinc/91/40/49/789914049.db2.gz AKNGALJSBQTFAE-LJQANCHMSA-N 1 2 326.396 2.277 20 30 EEEDLO CCCc1n[nH]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032491051 790142857 /nfs/dbraw/zinc/14/28/57/790142857.db2.gz ITSBZZJMLKBUDO-IRXDYDNUSA-N 1 2 349.438 2.333 20 30 EEEDLO CCCc1n[nH]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032491051 790142860 /nfs/dbraw/zinc/14/28/60/790142860.db2.gz ITSBZZJMLKBUDO-IRXDYDNUSA-N 1 2 349.438 2.333 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H](CCNC(=O)Cc3[nH]cc[nH+]3)C2)CCC1 ZINC001060335569 790189764 /nfs/dbraw/zinc/18/97/64/790189764.db2.gz MVLCGZXZQPMCIR-HNNXBMFYSA-N 1 2 344.459 2.053 20 30 EEEDLO N#Cc1ccc(N[C@@H]2CCCC[C@H]2NC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC001091256062 790216410 /nfs/dbraw/zinc/21/64/10/790216410.db2.gz DWKACBNPNUBCCD-HZPDHXFCSA-N 1 2 338.415 2.148 20 30 EEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc(C#N)ccc1F ZINC000888367832 790239223 /nfs/dbraw/zinc/23/92/23/790239223.db2.gz REUYTQWIFBBAIY-TZMCWYRMSA-N 1 2 332.379 2.024 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc(C3CC3)[nH]c2=O)[C@H]1C ZINC001088904329 791473570 /nfs/dbraw/zinc/47/35/70/791473570.db2.gz IEEAIFPXQFXZNT-MFKMUULPSA-N 1 2 336.823 2.005 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc(C3CC3)[nH]c2=O)[C@H]1C ZINC001088904329 791473576 /nfs/dbraw/zinc/47/35/76/791473576.db2.gz IEEAIFPXQFXZNT-MFKMUULPSA-N 1 2 336.823 2.005 20 30 EEEDLO Cc1nc(NC[C@@H](NC(=O)C#CC2CC2)C2CC2)c2c([nH+]1)CCCC2 ZINC001109844380 806067524 /nfs/dbraw/zinc/06/75/24/806067524.db2.gz SIMCMYVXDQFOKJ-GOSISDBHSA-N 1 2 338.455 2.384 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2sc(Cl)nc2C)C1 ZINC001107973615 791541566 /nfs/dbraw/zinc/54/15/66/791541566.db2.gz WDYRCBYTBTUVPH-AWEZNQCLSA-N 1 2 329.853 2.112 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2sc(Cl)nc2C)C1 ZINC001107973615 791541572 /nfs/dbraw/zinc/54/15/72/791541572.db2.gz WDYRCBYTBTUVPH-AWEZNQCLSA-N 1 2 329.853 2.112 20 30 EEEDLO C#CCOCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cscn1 ZINC001099069261 791767684 /nfs/dbraw/zinc/76/76/84/791767684.db2.gz DFLFUYSAWYNZBL-MRXNPFEDSA-N 1 2 349.500 2.290 20 30 EEEDLO C#CCOCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cscn1 ZINC001099069261 791767689 /nfs/dbraw/zinc/76/76/89/791767689.db2.gz DFLFUYSAWYNZBL-MRXNPFEDSA-N 1 2 349.500 2.290 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001067667220 791801618 /nfs/dbraw/zinc/80/16/18/791801618.db2.gz NJRVWCPBLHNCGJ-GJZGRUSLSA-N 1 2 334.464 2.107 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001067667220 791801619 /nfs/dbraw/zinc/80/16/19/791801619.db2.gz NJRVWCPBLHNCGJ-GJZGRUSLSA-N 1 2 334.464 2.107 20 30 EEEDLO C#CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nc(CCCC)no1)C2 ZINC001147428344 791814820 /nfs/dbraw/zinc/81/48/20/791814820.db2.gz QQPKKFLBFWQNLO-UHFFFAOYSA-N 1 2 344.459 2.250 20 30 EEEDLO C#CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nc(CCCC)no1)C2 ZINC001147428344 791814823 /nfs/dbraw/zinc/81/48/23/791814823.db2.gz QQPKKFLBFWQNLO-UHFFFAOYSA-N 1 2 344.459 2.250 20 30 EEEDLO CCc1noc([C@@H](C)[N@@H+]2CCC3(CN(C(=O)C#CC(C)(C)C)C3)C2)n1 ZINC001147523586 791867831 /nfs/dbraw/zinc/86/78/31/791867831.db2.gz XVBXMTUZFVTYMA-CQSZACIVSA-N 1 2 344.459 2.277 20 30 EEEDLO CCc1noc([C@@H](C)[N@H+]2CCC3(CN(C(=O)C#CC(C)(C)C)C3)C2)n1 ZINC001147523586 791867835 /nfs/dbraw/zinc/86/78/35/791867835.db2.gz XVBXMTUZFVTYMA-CQSZACIVSA-N 1 2 344.459 2.277 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nnc(C)[nH]1)C2 ZINC001147631406 791890768 /nfs/dbraw/zinc/89/07/68/791890768.db2.gz WZNVIWBXRAKUHF-AWEZNQCLSA-N 1 2 343.475 2.477 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nnc(C)[nH]1)C2 ZINC001147631406 791890771 /nfs/dbraw/zinc/89/07/71/791890771.db2.gz WZNVIWBXRAKUHF-AWEZNQCLSA-N 1 2 343.475 2.477 20 30 EEEDLO CN(CCCOc1ccccc1)C(=O)CO[NH+]=C(N)c1ccccc1 ZINC000174067978 791948189 /nfs/dbraw/zinc/94/81/89/791948189.db2.gz MRJZVSDLPGFPJW-UHFFFAOYSA-N 1 2 341.411 2.251 20 30 EEEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)C(C)(C)COC)C2)C1 ZINC001147939496 792044796 /nfs/dbraw/zinc/04/47/96/792044796.db2.gz WDTXOYNNYBRKSL-UHFFFAOYSA-N 1 2 345.281 2.102 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)C(C)(C)COC)C2)C1 ZINC001147939496 792044808 /nfs/dbraw/zinc/04/48/08/792044808.db2.gz WDTXOYNNYBRKSL-UHFFFAOYSA-N 1 2 345.281 2.102 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)c2cn(-c3cnn(C)c3)c3ccccc23)CC1 ZINC001148054167 792124727 /nfs/dbraw/zinc/12/47/27/792124727.db2.gz FSZVXTGJODXHJO-UHFFFAOYSA-N 1 2 349.438 2.308 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncnn1C(C)C)C2 ZINC001148087861 792172650 /nfs/dbraw/zinc/17/26/50/792172650.db2.gz GZUABTIAQPXYJA-HZPDHXFCSA-N 1 2 345.491 2.352 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncnn1C(C)C)C2 ZINC001148087861 792172655 /nfs/dbraw/zinc/17/26/55/792172655.db2.gz GZUABTIAQPXYJA-HZPDHXFCSA-N 1 2 345.491 2.352 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nc(C3CC3)no1)C2 ZINC001148089076 792175926 /nfs/dbraw/zinc/17/59/26/792175926.db2.gz SHAYOMQFJVEKQR-ZIAGYGMSSA-N 1 2 344.459 2.440 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nc(C3CC3)no1)C2 ZINC001148089076 792175938 /nfs/dbraw/zinc/17/59/38/792175938.db2.gz SHAYOMQFJVEKQR-ZIAGYGMSSA-N 1 2 344.459 2.440 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)[C@H]1C ZINC001089085810 792183263 /nfs/dbraw/zinc/18/32/63/792183263.db2.gz YYIAQHUPGAUWLE-YPMHNXCESA-N 1 2 348.834 2.224 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)[C@H]1C ZINC001089085810 792183269 /nfs/dbraw/zinc/18/32/69/792183269.db2.gz YYIAQHUPGAUWLE-YPMHNXCESA-N 1 2 348.834 2.224 20 30 EEEDLO CCCCCCCCC(=O)NCC[NH2+]Cc1nc(CCOC)no1 ZINC001148727588 792659314 /nfs/dbraw/zinc/65/93/14/792659314.db2.gz CVIYAPGMQKTCKQ-UHFFFAOYSA-N 1 2 340.468 2.215 20 30 EEEDLO C[N@@H+](Cc1ccon1)C[C@@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001089158423 792901794 /nfs/dbraw/zinc/90/17/94/792901794.db2.gz SVCPTZRYALGCPX-HNNXBMFYSA-N 1 2 327.388 2.001 20 30 EEEDLO C[N@H+](Cc1ccon1)C[C@@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001089158423 792901801 /nfs/dbraw/zinc/90/18/01/792901801.db2.gz SVCPTZRYALGCPX-HNNXBMFYSA-N 1 2 327.388 2.001 20 30 EEEDLO C=C1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](Cc2nncn2C)CC3)CC1 ZINC000992147785 792922838 /nfs/dbraw/zinc/92/28/38/792922838.db2.gz ABDDLSPIGXMYGQ-LPHOPBHVSA-N 1 2 343.475 2.175 20 30 EEEDLO C=C1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](Cc2nncn2C)CC3)CC1 ZINC000992147785 792922845 /nfs/dbraw/zinc/92/28/45/792922845.db2.gz ABDDLSPIGXMYGQ-LPHOPBHVSA-N 1 2 343.475 2.175 20 30 EEEDLO CC[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@@H]1Nc1cc[nH+]c(C)n1 ZINC001064395424 793025936 /nfs/dbraw/zinc/02/59/36/793025936.db2.gz KNQJWQODLDGFQN-ZFWWWQNUSA-N 1 2 338.415 2.338 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001064400077 793039228 /nfs/dbraw/zinc/03/92/28/793039228.db2.gz RESCOYIDFIRAOG-KSSFIOAISA-N 1 2 346.475 2.346 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC1(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001064400077 793039240 /nfs/dbraw/zinc/03/92/40/793039240.db2.gz RESCOYIDFIRAOG-KSSFIOAISA-N 1 2 346.475 2.346 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H](CNc1[nH+]cnc2c1cnn2C)C1CC1 ZINC001109920403 806209399 /nfs/dbraw/zinc/20/93/99/806209399.db2.gz DIDINEYQDQNSCO-CQSZACIVSA-N 1 2 342.447 2.272 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NCC1(Nc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001110124451 793352070 /nfs/dbraw/zinc/35/20/70/793352070.db2.gz OVFYYHUDTFZJCW-KRWDZBQOSA-N 1 2 332.448 2.296 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001091984857 793466921 /nfs/dbraw/zinc/46/69/21/793466921.db2.gz RUOATPHWUUTSKG-YCPHGPKFSA-N 1 2 332.448 2.076 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3nc(C)no3)C[C@@]2(C)C1 ZINC001091978040 793489342 /nfs/dbraw/zinc/48/93/42/793489342.db2.gz FJKFAESLVYWQDS-JLSDUUJJSA-N 1 2 332.448 2.261 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(C)no3)C[C@@]2(C)C1 ZINC001091978040 793489345 /nfs/dbraw/zinc/48/93/45/793489345.db2.gz FJKFAESLVYWQDS-JLSDUUJJSA-N 1 2 332.448 2.261 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@@H]1C ZINC001092039710 793497723 /nfs/dbraw/zinc/49/77/23/793497723.db2.gz YMTYDDMBLBOQQK-NFAWXSAZSA-N 1 2 342.447 2.049 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092084347 793551666 /nfs/dbraw/zinc/55/16/66/793551666.db2.gz QLFINSZTRYTFSD-GOEBONIOSA-N 1 2 346.475 2.487 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](CNc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001109950858 806269855 /nfs/dbraw/zinc/26/98/55/806269855.db2.gz IYUJTJSOWJMXNU-WFASDCNBSA-N 1 2 346.479 2.155 20 30 EEEDLO C[C@H]([NH2+][C@H]1CCCN(C(=O)C#CC2CC2)C1)c1nc(C2CC2)no1 ZINC000999113184 793821883 /nfs/dbraw/zinc/82/18/83/793821883.db2.gz FNDWHASHYQHJOV-WFASDCNBSA-N 1 2 328.416 2.002 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1nc(Cl)cs1)c1nccn12 ZINC001092390904 793888132 /nfs/dbraw/zinc/88/81/32/793888132.db2.gz IVIWWXGZDPCTDG-JTQLQIEISA-N 1 2 349.847 2.065 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)c1nccn12 ZINC001092397197 793895334 /nfs/dbraw/zinc/89/53/34/793895334.db2.gz SKTDLRZPEIIJSH-RBSFLKMASA-N 1 2 338.411 2.038 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C(C)C)no1)c1nccn12 ZINC001092400002 793900126 /nfs/dbraw/zinc/90/01/26/793900126.db2.gz IKZTWGNKFBJGHH-CQSZACIVSA-N 1 2 341.415 2.066 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106130173 793941889 /nfs/dbraw/zinc/94/18/89/793941889.db2.gz RHSNTLLUGITHDS-CQSZACIVSA-N 1 2 332.448 2.154 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1scnc1Cl)c1nccn12 ZINC001092413549 793963986 /nfs/dbraw/zinc/96/39/86/793963986.db2.gz VWGXWJSSSQWEFO-SNVBAGLBSA-N 1 2 349.847 2.065 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001064936529 793980012 /nfs/dbraw/zinc/98/00/12/793980012.db2.gz WQQVPCNIECTRRV-SFHVURJKSA-N 1 2 334.423 2.412 20 30 EEEDLO Cc1cc(N2C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001092484916 794012457 /nfs/dbraw/zinc/01/24/57/794012457.db2.gz DYRVCGKEQQRGTQ-XJKCOSOUSA-N 1 2 341.459 2.401 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)C(N)=O)CCCCC1 ZINC001110135907 794267323 /nfs/dbraw/zinc/26/73/23/794267323.db2.gz VXANYVOYXJUAHW-WCVJEAGWSA-N 1 2 333.476 2.108 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)C(N)=O)CCCCC1 ZINC001110135907 794267329 /nfs/dbraw/zinc/26/73/29/794267329.db2.gz VXANYVOYXJUAHW-WCVJEAGWSA-N 1 2 333.476 2.108 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001092851895 794415201 /nfs/dbraw/zinc/41/52/01/794415201.db2.gz BLSUGNDNQRFGNA-IEAZIUSSSA-N 1 2 344.459 2.164 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ocnc2-c2ccccc2)C1 ZINC001107989791 794696549 /nfs/dbraw/zinc/69/65/49/794696549.db2.gz ZPVXLKOZFSUHFW-IBGZPJMESA-N 1 2 341.411 2.348 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ocnc2-c2ccccc2)C1 ZINC001107989791 794696553 /nfs/dbraw/zinc/69/65/53/794696553.db2.gz ZPVXLKOZFSUHFW-IBGZPJMESA-N 1 2 341.411 2.348 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3cccnc3n2)C1 ZINC001079731862 795147387 /nfs/dbraw/zinc/14/73/87/795147387.db2.gz LCZCRGXCHFTDHQ-IAQYHMDHSA-N 1 2 330.819 2.432 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3cccnc3n2)C1 ZINC001079731862 795147395 /nfs/dbraw/zinc/14/73/95/795147395.db2.gz LCZCRGXCHFTDHQ-IAQYHMDHSA-N 1 2 330.819 2.432 20 30 EEEDLO CC#CCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001077900336 795273358 /nfs/dbraw/zinc/27/33/58/795273358.db2.gz UWLHMJFYUZTPNM-GJZGRUSLSA-N 1 2 344.459 2.034 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2snnc2C)C[C@H]1C ZINC001079855791 795285053 /nfs/dbraw/zinc/28/50/53/795285053.db2.gz RBSKNISUKQCDDR-TZMCWYRMSA-N 1 2 345.472 2.084 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2snnc2C)C[C@H]1C ZINC001079855791 795285055 /nfs/dbraw/zinc/28/50/55/795285055.db2.gz RBSKNISUKQCDDR-TZMCWYRMSA-N 1 2 345.472 2.084 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2ccn(CC)n2)C[C@H]1C ZINC001079855570 795285072 /nfs/dbraw/zinc/28/50/72/795285072.db2.gz GQQYFIQBKXUZHA-NVXWUHKLSA-N 1 2 341.459 2.141 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccn(CC)n2)C[C@H]1C ZINC001079855570 795285075 /nfs/dbraw/zinc/28/50/75/795285075.db2.gz GQQYFIQBKXUZHA-NVXWUHKLSA-N 1 2 341.459 2.141 20 30 EEEDLO C=C(C)CCC(=O)N(CC)C1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079879973 795313544 /nfs/dbraw/zinc/31/35/44/795313544.db2.gz PRMTYMLFIFOBPG-AWEZNQCLSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C(C)CCC(=O)N(CC)C1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079879973 795313549 /nfs/dbraw/zinc/31/35/49/795313549.db2.gz PRMTYMLFIFOBPG-AWEZNQCLSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCO[C@H]3C)CC2)C1 ZINC001093527445 795313877 /nfs/dbraw/zinc/31/38/77/795313877.db2.gz TUMYRBJSKZGWKS-YJBOKZPZSA-N 1 2 336.476 2.069 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1ccsn1 ZINC001079934825 795362446 /nfs/dbraw/zinc/36/24/46/795362446.db2.gz YQVCPPVFAFCGQT-BDJLRTHQSA-N 1 2 344.415 2.404 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1ccsn1 ZINC001079934825 795362450 /nfs/dbraw/zinc/36/24/50/795362450.db2.gz YQVCPPVFAFCGQT-BDJLRTHQSA-N 1 2 344.415 2.404 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3c(C)nn(CC)c3C)CC2)C1 ZINC001093584003 795395794 /nfs/dbraw/zinc/39/57/94/795395794.db2.gz WGLBNEPVRNENPI-UHFFFAOYSA-N 1 2 346.475 2.011 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@H](C)n3cccc3)CC2)C1 ZINC001093593917 795407238 /nfs/dbraw/zinc/40/72/38/795407238.db2.gz PHRLJIAQATWMIX-INIZCTEOSA-N 1 2 331.460 2.317 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC(N(CC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001079965976 795413096 /nfs/dbraw/zinc/41/30/96/795413096.db2.gz HJVGZOSZXDYSRC-UHFFFAOYSA-N 1 2 332.448 2.004 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC(N(CC)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001079965976 795413098 /nfs/dbraw/zinc/41/30/98/795413098.db2.gz HJVGZOSZXDYSRC-UHFFFAOYSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC(N(CC)C(=O)CCCn2cc[nH+]c2)C1 ZINC001080026839 795503032 /nfs/dbraw/zinc/50/30/32/795503032.db2.gz IWCWBTZSXCKAOH-IBGZPJMESA-N 1 2 346.475 2.325 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCNc1ncc(C#N)cc1Cl ZINC001106395256 795506253 /nfs/dbraw/zinc/50/62/53/795506253.db2.gz IUZRCVZLGZJZQC-JTQLQIEISA-N 1 2 346.822 2.188 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC(N(CC)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001080140046 795616232 /nfs/dbraw/zinc/61/62/32/795616232.db2.gz GXOKBZVESUDZAT-AWEZNQCLSA-N 1 2 346.475 2.349 20 30 EEEDLO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)C1 ZINC001080143392 795620749 /nfs/dbraw/zinc/62/07/49/795620749.db2.gz HIAHBTYDJKPUMZ-MWLCHTKSSA-N 1 2 330.354 2.363 20 30 EEEDLO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)C1 ZINC001080143392 795620751 /nfs/dbraw/zinc/62/07/51/795620751.db2.gz HIAHBTYDJKPUMZ-MWLCHTKSSA-N 1 2 330.354 2.363 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C/C=C/c2ccc(F)cc2)C1 ZINC001108022732 795622424 /nfs/dbraw/zinc/62/24/24/795622424.db2.gz LLPMHZIVVCLFBT-RRFGBZISSA-N 1 2 344.430 2.459 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C/C=C/c2ccc(F)cc2)C1 ZINC001108022732 795622427 /nfs/dbraw/zinc/62/24/27/795622427.db2.gz LLPMHZIVVCLFBT-RRFGBZISSA-N 1 2 344.430 2.459 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H](C)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106555941 795826450 /nfs/dbraw/zinc/82/64/50/795826450.db2.gz ZAYWSIOPNMMFEP-PXAZEXFGSA-N 1 2 334.468 2.155 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106553587 795833822 /nfs/dbraw/zinc/83/38/22/795833822.db2.gz RXKIZNWLNZBMGO-AUUYWEPGSA-N 1 2 345.491 2.374 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106553587 795833831 /nfs/dbraw/zinc/83/38/31/795833831.db2.gz RXKIZNWLNZBMGO-AUUYWEPGSA-N 1 2 345.491 2.374 20 30 EEEDLO Cc1ccc(C#N)c(NCCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC001094013237 795859357 /nfs/dbraw/zinc/85/93/57/795859357.db2.gz BOTZVYYVKXSBMT-UHFFFAOYSA-N 1 2 346.394 2.289 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@@H+]1Cc1ccc(F)cn1 ZINC000993209200 795959327 /nfs/dbraw/zinc/95/93/27/795959327.db2.gz RXVOHUGUQMAVKT-BLLLJJGKSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1Cc1ccc(F)cn1 ZINC000993209200 795959329 /nfs/dbraw/zinc/95/93/29/795959329.db2.gz RXVOHUGUQMAVKT-BLLLJJGKSA-N 1 2 341.390 2.203 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001032791990 795980072 /nfs/dbraw/zinc/98/00/72/795980072.db2.gz LNZCHPWAZJSWDJ-DARAHFNDSA-N 1 2 330.378 2.377 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001032791990 795980077 /nfs/dbraw/zinc/98/00/77/795980077.db2.gz LNZCHPWAZJSWDJ-DARAHFNDSA-N 1 2 330.378 2.377 20 30 EEEDLO C[C@H](CC(=O)NCCNc1nc(Cl)c(C#N)s1)n1cc[nH+]c1 ZINC001094168343 795981089 /nfs/dbraw/zinc/98/10/89/795981089.db2.gz YWYBGJNRSDILEL-SECBINFHSA-N 1 2 338.824 2.044 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(CC)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001080466431 796039042 /nfs/dbraw/zinc/03/90/42/796039042.db2.gz YZFUGRZMOWJSFF-SFHVURJKSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(CC)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001080466431 796039045 /nfs/dbraw/zinc/03/90/45/796039045.db2.gz YZFUGRZMOWJSFF-SFHVURJKSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3CC(C)(C)C)nn2)C1 ZINC001094292909 796094948 /nfs/dbraw/zinc/09/49/48/796094948.db2.gz MPPAPHOGWGTLAY-WMLDXEAASA-N 1 2 345.491 2.399 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ccc(CCC)s3)nn2)C1 ZINC001094295175 796096250 /nfs/dbraw/zinc/09/62/50/796096250.db2.gz SICYJOFTXBVQAP-UHFFFAOYSA-N 1 2 345.472 2.265 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)[C@H]2C)cnn1 ZINC000993236387 796155860 /nfs/dbraw/zinc/15/58/60/796155860.db2.gz PWTLBFYHNGSLOC-HNAYVOBHSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)[C@H]2C)cnn1 ZINC000993236387 796155865 /nfs/dbraw/zinc/15/58/65/796155865.db2.gz PWTLBFYHNGSLOC-HNAYVOBHSA-N 1 2 349.438 2.440 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2ncccc2O)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993254376 796161393 /nfs/dbraw/zinc/16/13/93/796161393.db2.gz YNIIAFBKBWRTMO-FUHWJXTLSA-N 1 2 349.434 2.422 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2ncccc2O)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993254376 796161396 /nfs/dbraw/zinc/16/13/96/796161396.db2.gz YNIIAFBKBWRTMO-FUHWJXTLSA-N 1 2 349.434 2.422 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)c(C)o2)C[C@H]1C ZINC001080598656 796247504 /nfs/dbraw/zinc/24/75/04/796247504.db2.gz NLEOMOZXSWTCSF-UOUZQGKXSA-N 1 2 347.459 2.209 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2nc(C)c(C)o2)C[C@H]1C ZINC001080598656 796247507 /nfs/dbraw/zinc/24/75/07/796247507.db2.gz NLEOMOZXSWTCSF-UOUZQGKXSA-N 1 2 347.459 2.209 20 30 EEEDLO CCN(CCNc1cc(C)[nH+]c(C2CC2)n1)C(=O)c1ccc(C#N)[nH]1 ZINC001106719386 796271046 /nfs/dbraw/zinc/27/10/46/796271046.db2.gz SRTMEYGGVMXMEC-UHFFFAOYSA-N 1 2 338.415 2.436 20 30 EEEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1nccs1 ZINC001080659583 796289238 /nfs/dbraw/zinc/28/92/38/796289238.db2.gz ROZZGPBJVPNLER-CZUORRHYSA-N 1 2 343.427 2.384 20 30 EEEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1nccs1 ZINC001080659583 796289242 /nfs/dbraw/zinc/28/92/42/796289242.db2.gz ROZZGPBJVPNLER-CZUORRHYSA-N 1 2 343.427 2.384 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2cscn2)C[C@H]1C ZINC001080850591 796433842 /nfs/dbraw/zinc/43/38/42/796433842.db2.gz WJUYLKMNPKYOLU-RDTXWAMCSA-N 1 2 339.464 2.304 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2cscn2)C[C@H]1C ZINC001080850591 796433846 /nfs/dbraw/zinc/43/38/46/796433846.db2.gz WJUYLKMNPKYOLU-RDTXWAMCSA-N 1 2 339.464 2.304 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnc(C)nc2OC)[C@H]1C ZINC000993403603 796543621 /nfs/dbraw/zinc/54/36/21/796543621.db2.gz WFFJMZSSQKHLKF-RISCZKNCSA-N 1 2 338.839 2.129 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnc(C)nc2OC)[C@H]1C ZINC000993403603 796543624 /nfs/dbraw/zinc/54/36/24/796543624.db2.gz WFFJMZSSQKHLKF-RISCZKNCSA-N 1 2 338.839 2.129 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CCC=CCCC3)CC2=O)C1 ZINC001094749832 796560667 /nfs/dbraw/zinc/56/06/67/796560667.db2.gz UAMLWWPGAHHQTQ-IRXDYDNUSA-N 1 2 345.487 2.100 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C[C@H]3CCCCC3(C)C)CC2=O)C1 ZINC001094821585 796626967 /nfs/dbraw/zinc/62/69/67/796626967.db2.gz ULSOTOZQINFYQW-HZPDHXFCSA-N 1 2 347.503 2.180 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C3(C)CCC(C)CC3)CC2=O)C1 ZINC001094821589 796627122 /nfs/dbraw/zinc/62/71/22/796627122.db2.gz UMPWUKQNIXVDEA-LFDOHDQPSA-N 1 2 347.503 2.180 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@H]1C=CCC1 ZINC001081331934 796722674 /nfs/dbraw/zinc/72/26/74/796722674.db2.gz XIPDECMXLLLHKA-KFKAGJAMSA-N 1 2 339.439 2.230 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@H]1C=CCC1 ZINC001081331934 796722678 /nfs/dbraw/zinc/72/26/78/796722678.db2.gz XIPDECMXLLLHKA-KFKAGJAMSA-N 1 2 339.439 2.230 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ccoc1C ZINC001081336940 796730285 /nfs/dbraw/zinc/73/02/85/796730285.db2.gz TWMBRYFYYAUXQA-HZPDHXFCSA-N 1 2 345.424 2.150 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ccoc1C ZINC001081336940 796730288 /nfs/dbraw/zinc/73/02/88/796730288.db2.gz TWMBRYFYYAUXQA-HZPDHXFCSA-N 1 2 345.424 2.150 20 30 EEEDLO Cc1nc(NCCCCCCNC(=O)Cn2cc[nH+]c2)ccc1C#N ZINC001094961029 797116968 /nfs/dbraw/zinc/11/69/68/797116968.db2.gz AIKDJEVPZSJKQU-UHFFFAOYSA-N 1 2 340.431 2.247 20 30 EEEDLO C=CCOC(=O)CC[C@H]([NH2+][C@@H]1CCC[C@@H](OC)C1)C(=O)OCC=C ZINC001172923317 797153945 /nfs/dbraw/zinc/15/39/45/797153945.db2.gz MTWRDKDZUQQDQH-OAGGEKHMSA-N 1 2 339.432 2.141 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001095037918 797261557 /nfs/dbraw/zinc/26/15/57/797261557.db2.gz RXXPKVQLEDXAGH-KDOFPFPSSA-N 1 2 332.448 2.248 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccncn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000994056231 797266121 /nfs/dbraw/zinc/26/61/21/797266121.db2.gz ZDZUONYVXVWHND-PBHICJAKSA-N 1 2 335.411 2.131 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccncn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000994056231 797266125 /nfs/dbraw/zinc/26/61/25/797266125.db2.gz ZDZUONYVXVWHND-PBHICJAKSA-N 1 2 335.411 2.131 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001082197759 797288843 /nfs/dbraw/zinc/28/88/43/797288843.db2.gz FTWNVEGTHHESSI-HNNXBMFYSA-N 1 2 344.459 2.114 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CC12CCC2 ZINC001082183571 797299150 /nfs/dbraw/zinc/29/91/50/797299150.db2.gz JZJXPCHIMUWRPO-RCCFBDPRSA-N 1 2 339.439 2.064 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CC12CCC2 ZINC001082183571 797299155 /nfs/dbraw/zinc/29/91/55/797299155.db2.gz JZJXPCHIMUWRPO-RCCFBDPRSA-N 1 2 339.439 2.064 20 30 EEEDLO C=CC[C@H]([NH2+]C1CCN(C(=O)c2ccc(OC)cc2)CC1)C(=O)OC ZINC001173403827 797413716 /nfs/dbraw/zinc/41/37/16/797413716.db2.gz DNCWYRPBXLBNOT-KRWDZBQOSA-N 1 2 346.427 2.007 20 30 EEEDLO N#C[C@@H]1CCC[N@H+]1C1CCN(CC(=O)OCc2ccccc2)CC1 ZINC001173470413 797478644 /nfs/dbraw/zinc/47/86/44/797478644.db2.gz SZKCVYDTHDYMQF-SFHVURJKSA-N 1 2 327.428 2.182 20 30 EEEDLO N#C[C@@H]1CCC[N@@H+]1C1CCN(CC(=O)OCc2ccccc2)CC1 ZINC001173470413 797478646 /nfs/dbraw/zinc/47/86/46/797478646.db2.gz SZKCVYDTHDYMQF-SFHVURJKSA-N 1 2 327.428 2.182 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3nocc3C)[C@@H]2C)cn1 ZINC000994246279 797518989 /nfs/dbraw/zinc/51/89/89/797518989.db2.gz CVOALQLYNZTPGP-RHSMWYFYSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3nocc3C)[C@@H]2C)cn1 ZINC000994246279 797518992 /nfs/dbraw/zinc/51/89/92/797518992.db2.gz CVOALQLYNZTPGP-RHSMWYFYSA-N 1 2 338.411 2.142 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CCC(Nc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095238590 797573011 /nfs/dbraw/zinc/57/30/11/797573011.db2.gz XZFMDYGIPGXESA-OAHLLOKOSA-N 1 2 344.459 2.350 20 30 EEEDLO C=CCOCC(=O)N1CCC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001095294746 797725979 /nfs/dbraw/zinc/72/59/79/797725979.db2.gz VWSPOXFUCHYLFT-HNNXBMFYSA-N 1 2 344.459 2.269 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O)C1CCCC1 ZINC001083938065 797928058 /nfs/dbraw/zinc/92/80/58/797928058.db2.gz SWWQNLJKMVILLV-VUCTXSBTSA-N 1 2 347.484 2.107 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O)C1CCCC1 ZINC001083938065 797928060 /nfs/dbraw/zinc/92/80/60/797928060.db2.gz SWWQNLJKMVILLV-VUCTXSBTSA-N 1 2 347.484 2.107 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1CC[N@@H+](CC=C(Cl)Cl)C[C@@H]1O ZINC001099794527 797934245 /nfs/dbraw/zinc/93/42/45/797934245.db2.gz OARUDHJWVDKRMU-STQMWFEESA-N 1 2 333.259 2.050 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1CC[N@H+](CC=C(Cl)Cl)C[C@@H]1O ZINC001099794527 797934246 /nfs/dbraw/zinc/93/42/46/797934246.db2.gz OARUDHJWVDKRMU-STQMWFEESA-N 1 2 333.259 2.050 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)ncn1 ZINC001084286772 798103629 /nfs/dbraw/zinc/10/36/29/798103629.db2.gz VVDANVLJTBJDAB-IEBWSBKVSA-N 1 2 347.422 2.003 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)ncn1 ZINC001084286772 798103631 /nfs/dbraw/zinc/10/36/31/798103631.db2.gz VVDANVLJTBJDAB-IEBWSBKVSA-N 1 2 347.422 2.003 20 30 EEEDLO N#Cc1c(F)cccc1N[C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001061096736 798166106 /nfs/dbraw/zinc/16/61/06/798166106.db2.gz WTMRYDLQLUUZMI-ZIAGYGMSSA-N 1 2 341.390 2.433 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2ocnc2C)CC1 ZINC001002536946 798238713 /nfs/dbraw/zinc/23/87/13/798238713.db2.gz LNGPJGXEZSLNHJ-UHFFFAOYSA-N 1 2 328.210 2.086 20 30 EEEDLO C[C@H](C[C@@H](C)Nc1ncc(C#N)cc1Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC001089380103 798264263 /nfs/dbraw/zinc/26/42/63/798264263.db2.gz HGUKUDYZDGKUNF-GHMZBOCLSA-N 1 2 346.822 2.268 20 30 EEEDLO N#Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)nc3)CC2)c[nH]1 ZINC001002629337 798356316 /nfs/dbraw/zinc/35/63/16/798356316.db2.gz JSLGZWQNMLSAPB-UHFFFAOYSA-N 1 2 343.818 2.329 20 30 EEEDLO C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(c3ccccc3)N(C)C)[C@@H]2C1 ZINC001084768580 798443851 /nfs/dbraw/zinc/44/38/51/798443851.db2.gz STWPIPYBHOTGDT-YVWKXTFCSA-N 1 2 327.472 2.182 20 30 EEEDLO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(c3ccccc3)N(C)C)[C@@H]2C1 ZINC001084768580 798443855 /nfs/dbraw/zinc/44/38/55/798443855.db2.gz STWPIPYBHOTGDT-YVWKXTFCSA-N 1 2 327.472 2.182 20 30 EEEDLO C=CCN1CC[C@@H]2CN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001084768580 798443857 /nfs/dbraw/zinc/44/38/57/798443857.db2.gz STWPIPYBHOTGDT-YVWKXTFCSA-N 1 2 327.472 2.182 20 30 EEEDLO CCCCCCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccn[nH]3)C[C@H]21 ZINC001176930361 798633285 /nfs/dbraw/zinc/63/32/85/798633285.db2.gz RCGWJRCCHWXXQX-SJORKVTESA-N 1 2 334.464 2.295 20 30 EEEDLO CCCCCCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccn[nH]3)C[C@H]21 ZINC001176930361 798633289 /nfs/dbraw/zinc/63/32/89/798633289.db2.gz RCGWJRCCHWXXQX-SJORKVTESA-N 1 2 334.464 2.295 20 30 EEEDLO C=CCOCCCC(=O)N1CC[C@H]2OCC[N@@H+](CC=C(C)C)[C@@H]2C1 ZINC001176977243 798668982 /nfs/dbraw/zinc/66/89/82/798668982.db2.gz NQQODMOYJUSSSZ-QZTJIDSGSA-N 1 2 336.476 2.237 20 30 EEEDLO C=CCOCCCC(=O)N1CC[C@H]2OCC[N@H+](CC=C(C)C)[C@@H]2C1 ZINC001176977243 798668986 /nfs/dbraw/zinc/66/89/86/798668986.db2.gz NQQODMOYJUSSSZ-QZTJIDSGSA-N 1 2 336.476 2.237 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@@H+](CCOCCCC)[C@H]2C1 ZINC001177024805 798701110 /nfs/dbraw/zinc/70/11/10/798701110.db2.gz KYFCLMMQYVXHJN-ROUUACIJSA-N 1 2 338.492 2.461 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@H+](CCOCCCC)[C@H]2C1 ZINC001177024805 798701112 /nfs/dbraw/zinc/70/11/12/798701112.db2.gz KYFCLMMQYVXHJN-ROUUACIJSA-N 1 2 338.492 2.461 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@@H+](CCOCC(C)C)[C@H]2C1 ZINC001177025889 798702546 /nfs/dbraw/zinc/70/25/46/798702546.db2.gz UTNILAGBDBCCKW-ROUUACIJSA-N 1 2 338.492 2.317 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@H+](CCOCC(C)C)[C@H]2C1 ZINC001177025889 798702547 /nfs/dbraw/zinc/70/25/47/798702547.db2.gz UTNILAGBDBCCKW-ROUUACIJSA-N 1 2 338.492 2.317 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](Cc2ncc(CC)o2)CC1 ZINC001002847760 798712543 /nfs/dbraw/zinc/71/25/43/798712543.db2.gz BWCNBNIKIUWXON-SJORKVTESA-N 1 2 347.459 2.299 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCCc3cccnc3)C[C@H]21 ZINC001177119700 798734982 /nfs/dbraw/zinc/73/49/82/798734982.db2.gz OUXJTEMLLNRKAF-MOPGFXCFSA-N 1 2 343.471 2.282 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCCc3cccnc3)C[C@H]21 ZINC001177119700 798734989 /nfs/dbraw/zinc/73/49/89/798734989.db2.gz OUXJTEMLLNRKAF-MOPGFXCFSA-N 1 2 343.471 2.282 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3OCC[N@@H+](CCOC(C)C)[C@@H]3C2)C1 ZINC001177090102 798743496 /nfs/dbraw/zinc/74/34/96/798743496.db2.gz ZPAHRDLCYJNHAX-SJORKVTESA-N 1 2 336.476 2.069 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3OCC[N@H+](CCOC(C)C)[C@@H]3C2)C1 ZINC001177090102 798743499 /nfs/dbraw/zinc/74/34/99/798743499.db2.gz ZPAHRDLCYJNHAX-SJORKVTESA-N 1 2 336.476 2.069 20 30 EEEDLO C=CCCCCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3nonc3C)C[C@H]21 ZINC001177158731 798780785 /nfs/dbraw/zinc/78/07/85/798780785.db2.gz ZQMBGBATJUMDAT-HZPDHXFCSA-N 1 2 348.447 2.040 20 30 EEEDLO C=CCCCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nonc3C)C[C@H]21 ZINC001177158731 798780791 /nfs/dbraw/zinc/78/07/91/798780791.db2.gz ZQMBGBATJUMDAT-HZPDHXFCSA-N 1 2 348.447 2.040 20 30 EEEDLO C=CCn1cccc1C(=O)NC1CC[NH+]([C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001003030183 799077699 /nfs/dbraw/zinc/07/76/99/799077699.db2.gz ILBWYCJZVXRERA-ZDUSSCGKSA-N 1 2 342.447 2.056 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC(C)(C)C=C)C2)CC1 ZINC001065705196 799353946 /nfs/dbraw/zinc/35/39/46/799353946.db2.gz WJDSPYBMAXFMQA-QGZVFWFLSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C(C)=C3CCC3)CC2)C1 ZINC001065691686 799366941 /nfs/dbraw/zinc/36/69/41/799366941.db2.gz LGVJGCOGMSOEPH-SFHVURJKSA-N 1 2 345.487 2.198 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C3(C(C)C)CC3)CC2)C1 ZINC001065695197 799374861 /nfs/dbraw/zinc/37/48/61/799374861.db2.gz TUPUBTJYRYTNDA-QGZVFWFLSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C=C\C3CC3)C2)CC1 ZINC001065698751 799383949 /nfs/dbraw/zinc/38/39/49/799383949.db2.gz IZLOGBTXJCDGAZ-CNZFZVQHSA-N 1 2 345.487 2.054 20 30 EEEDLO C=C(C)CCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)C3CC3)C2)CC1 ZINC001065701044 799390180 /nfs/dbraw/zinc/39/01/80/799390180.db2.gz XACLARVXBQXJKN-WMZOPIPTSA-N 1 2 347.503 2.134 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)Nc3cc[nH+]c(C)n3)C2)cn1 ZINC001065726961 799438150 /nfs/dbraw/zinc/43/81/50/799438150.db2.gz UHLWOSYQZISJLE-CJNGLKHVSA-N 1 2 335.411 2.124 20 30 EEEDLO C=CCOCCCC(=O)N1CC[C@H]([NH2+]Cc2nc(C3CC3)no2)[C@@H]1C ZINC001178434395 799449090 /nfs/dbraw/zinc/44/90/90/799449090.db2.gz GFWLYMQCELABRS-ZFWWWQNUSA-N 1 2 348.447 2.009 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(COC)no2)[C@@H]1C ZINC001178503755 799519777 /nfs/dbraw/zinc/51/97/77/799519777.db2.gz OSVCOPNICATNNL-KKUMJFAQSA-N 1 2 348.447 2.050 20 30 EEEDLO C#Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)c3nnc(C)[nH]3)CC2)cc1 ZINC001003413028 799623088 /nfs/dbraw/zinc/62/30/88/799623088.db2.gz VCBLHZRWCPAGQF-CYBMUJFWSA-N 1 2 337.427 2.050 20 30 EEEDLO Cc1n[nH]cc1C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001003405813 799625025 /nfs/dbraw/zinc/62/50/25/799625025.db2.gz GBHXPSXJAHPFNV-UHFFFAOYSA-N 1 2 341.390 2.123 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2ncoc2[C@@H]2CCCO2)CC1 ZINC001003431052 799654329 /nfs/dbraw/zinc/65/43/29/799654329.db2.gz BYRVPHNCWHCLQQ-ZDUSSCGKSA-N 1 2 339.823 2.473 20 30 EEEDLO N#Cc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1O ZINC001178993313 799735777 /nfs/dbraw/zinc/73/57/77/799735777.db2.gz HRFUVQXOYCZTAG-SFHVURJKSA-N 1 2 337.379 2.103 20 30 EEEDLO N#Cc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1O ZINC001178993313 799735783 /nfs/dbraw/zinc/73/57/83/799735783.db2.gz HRFUVQXOYCZTAG-SFHVURJKSA-N 1 2 337.379 2.103 20 30 EEEDLO N#Cc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)c1 ZINC001178994718 799736966 /nfs/dbraw/zinc/73/69/66/799736966.db2.gz ZUOXNFSZHOYCRX-LJQANCHMSA-N 1 2 346.390 2.269 20 30 EEEDLO N#Cc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)c1 ZINC001178994718 799736971 /nfs/dbraw/zinc/73/69/71/799736971.db2.gz ZUOXNFSZHOYCRX-LJQANCHMSA-N 1 2 346.390 2.269 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001065965696 799808656 /nfs/dbraw/zinc/80/86/56/799808656.db2.gz FZQFJMVYNRRHAU-INIZCTEOSA-N 1 2 346.475 2.390 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001066113033 800022069 /nfs/dbraw/zinc/02/20/69/800022069.db2.gz JMVRKPCOAYBLJB-HNNXBMFYSA-N 1 2 346.475 2.442 20 30 EEEDLO Cc1cc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001066122699 800042146 /nfs/dbraw/zinc/04/21/46/800042146.db2.gz KTCAENKDEUJOCD-UHOFOFEASA-N 1 2 339.443 2.392 20 30 EEEDLO C=CCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001078877488 800194973 /nfs/dbraw/zinc/19/49/73/800194973.db2.gz FXRVCXWNEMXDAK-RDJZCZTQSA-N 1 2 346.475 2.394 20 30 EEEDLO C=CCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001078877488 800194976 /nfs/dbraw/zinc/19/49/76/800194976.db2.gz FXRVCXWNEMXDAK-RDJZCZTQSA-N 1 2 346.475 2.394 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)no1 ZINC001032891132 800280191 /nfs/dbraw/zinc/28/01/91/800280191.db2.gz NDBSYWGSXKVGFF-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)no1 ZINC001032891132 800280195 /nfs/dbraw/zinc/28/01/95/800280195.db2.gz NDBSYWGSXKVGFF-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[N@H+](CC=C(Cl)Cl)C[C@@H]1O ZINC001099961793 800347316 /nfs/dbraw/zinc/34/73/16/800347316.db2.gz CPJVTVSOGLGXDU-STQMWFEESA-N 1 2 333.259 2.050 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+](CC=C(Cl)Cl)C[C@@H]1O ZINC001099961793 800347325 /nfs/dbraw/zinc/34/73/25/800347325.db2.gz CPJVTVSOGLGXDU-STQMWFEESA-N 1 2 333.259 2.050 20 30 EEEDLO C=CCSCC(=O)N1CC[NH+](C[C@H](OC)c2ccccc2)CC1 ZINC001180559901 800475252 /nfs/dbraw/zinc/47/52/52/800475252.db2.gz LVWBWLOGECDBAT-KRWDZBQOSA-N 1 2 334.485 2.438 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001108061713 800496086 /nfs/dbraw/zinc/49/60/86/800496086.db2.gz UAQQDVBOSJYNLU-HXUWFJFHSA-N 1 2 339.439 2.320 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001108061713 800496092 /nfs/dbraw/zinc/49/60/92/800496092.db2.gz UAQQDVBOSJYNLU-HXUWFJFHSA-N 1 2 339.439 2.320 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001180778290 800560494 /nfs/dbraw/zinc/56/04/94/800560494.db2.gz GPDZXTZWUWDYMT-LBPRGKRZSA-N 1 2 329.360 2.080 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)c1ccc[nH]1 ZINC001085483398 800612387 /nfs/dbraw/zinc/61/23/87/800612387.db2.gz AZDVPZHRSHFEBH-QGZVFWFLSA-N 1 2 325.387 2.352 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)c1ccc[nH]1 ZINC001085483398 800612391 /nfs/dbraw/zinc/61/23/91/800612391.db2.gz AZDVPZHRSHFEBH-QGZVFWFLSA-N 1 2 325.387 2.352 20 30 EEEDLO Cc1cc(C(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2ccccc2)c(C)nn1 ZINC001085615737 800904540 /nfs/dbraw/zinc/90/45/40/800904540.db2.gz UTSJCIASOFFATF-LJQANCHMSA-N 1 2 348.450 2.291 20 30 EEEDLO Cc1cc(C(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2ccccc2)c(C)nn1 ZINC001085615737 800904543 /nfs/dbraw/zinc/90/45/43/800904543.db2.gz UTSJCIASOFFATF-LJQANCHMSA-N 1 2 348.450 2.291 20 30 EEEDLO C=CCN(C)S(=O)(=O)c1ccc(NCc2[nH]c(C)c(C)[nH+]2)cc1 ZINC000922373643 800905546 /nfs/dbraw/zinc/90/55/46/800905546.db2.gz MNSPVOKDUCGJBW-UHFFFAOYSA-N 1 2 334.445 2.445 20 30 EEEDLO Cc1cc(NCC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001066287828 800935497 /nfs/dbraw/zinc/93/54/97/800935497.db2.gz IIWUAKSBMDHWHK-GXTWGEPZSA-N 1 2 327.432 2.473 20 30 EEEDLO C[C@H](CCCCNc1ccc(C#N)cn1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001090076105 801173545 /nfs/dbraw/zinc/17/35/45/801173545.db2.gz IFPKPRXZJUGNDE-CQSZACIVSA-N 1 2 340.431 2.396 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2cccnc2OC)cc1 ZINC001085756259 801195842 /nfs/dbraw/zinc/19/58/42/801195842.db2.gz DCOGFMZZXUJUJG-LJQANCHMSA-N 1 2 349.434 2.418 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2cccnc2OC)cc1 ZINC001085756259 801195846 /nfs/dbraw/zinc/19/58/46/801195846.db2.gz DCOGFMZZXUJUJG-LJQANCHMSA-N 1 2 349.434 2.418 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccnc(OC)c2)cc1 ZINC001085756904 801197817 /nfs/dbraw/zinc/19/78/17/801197817.db2.gz TVOFHIHFNGXKCA-IBGZPJMESA-N 1 2 349.434 2.418 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccnc(OC)c2)cc1 ZINC001085756904 801197821 /nfs/dbraw/zinc/19/78/21/801197821.db2.gz TVOFHIHFNGXKCA-IBGZPJMESA-N 1 2 349.434 2.418 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnc(C)s1 ZINC001085823096 801371901 /nfs/dbraw/zinc/37/19/01/801371901.db2.gz ZPONRFVXLPACLS-BMFZPTHFSA-N 1 2 335.473 2.075 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnc(C)s1 ZINC001085823096 801371909 /nfs/dbraw/zinc/37/19/09/801371909.db2.gz ZPONRFVXLPACLS-BMFZPTHFSA-N 1 2 335.473 2.075 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cncc(C(F)(F)F)c1 ZINC001085908035 801608037 /nfs/dbraw/zinc/60/80/37/801608037.db2.gz VZAFKSWPVSHBLK-AWEZNQCLSA-N 1 2 325.334 2.270 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cncc(C(F)(F)F)c1 ZINC001085908035 801608042 /nfs/dbraw/zinc/60/80/42/801608042.db2.gz VZAFKSWPVSHBLK-AWEZNQCLSA-N 1 2 325.334 2.270 20 30 EEEDLO CO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001110341777 801801660 /nfs/dbraw/zinc/80/16/60/801801660.db2.gz KYCMUUBWQTZTFL-PILAGYSTSA-N 1 2 346.858 2.448 20 30 EEEDLO CO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001110341777 801801669 /nfs/dbraw/zinc/80/16/69/801801669.db2.gz KYCMUUBWQTZTFL-PILAGYSTSA-N 1 2 346.858 2.448 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001066379881 802102432 /nfs/dbraw/zinc/10/24/32/802102432.db2.gz CZSMWZKDRADSMI-INIZCTEOSA-N 1 2 346.475 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C=CC[N@H+]1CCO[C@](C)(CNC(=O)COc2c(C)cccc2C)C1 ZINC001108383553 803426763 /nfs/dbraw/zinc/42/67/63/803426763.db2.gz FAKQIEHTEYIAOA-LJQANCHMSA-N 1 2 332.444 2.075 20 30 EEEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCC2OCCO2)[nH+]1 ZINC001169063990 803600570 /nfs/dbraw/zinc/60/05/70/803600570.db2.gz DSIZCIRASXBDAF-IXNCKXOBSA-N 1 2 325.434 2.056 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccc3c2OCC3(C)C)C1 ZINC001108446906 803612843 /nfs/dbraw/zinc/61/28/43/803612843.db2.gz NCUWGTSVVWSOCZ-HXUWFJFHSA-N 1 2 344.455 2.363 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccc3c2OCC3(C)C)C1 ZINC001108446906 803612846 /nfs/dbraw/zinc/61/28/46/803612846.db2.gz NCUWGTSVVWSOCZ-HXUWFJFHSA-N 1 2 344.455 2.363 20 30 EEEDLO C[N@@H+]1CCOC[C@H]1CNc1cc(Br)ccc1OCC#N ZINC001169653353 803927900 /nfs/dbraw/zinc/92/79/00/803927900.db2.gz HKIYOCVCUCRANW-GFCCVEGCSA-N 1 2 340.221 2.094 20 30 EEEDLO C[N@H+]1CCOC[C@H]1CNc1cc(Br)ccc1OCC#N ZINC001169653353 803927903 /nfs/dbraw/zinc/92/79/03/803927903.db2.gz 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Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCCCc1[nH+]ccn1C ZINC000789792450 808196398 /nfs/dbraw/zinc/19/63/98/808196398.db2.gz VJPXFRDLKZACSD-UHFFFAOYSA-N 1 2 342.399 2.118 20 30 EEEDLO C#CCOCCC(=O)N[C@H](C)[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001113165226 808321794 /nfs/dbraw/zinc/32/17/94/808321794.db2.gz HVOGOTPNFZSEDU-HUUCEWRRSA-N 1 2 332.448 2.253 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc3ccc(C)cc3[nH]2)CC1 ZINC001113169482 808348069 /nfs/dbraw/zinc/34/80/69/808348069.db2.gz GMYBJTKUNKHHEZ-UHFFFAOYSA-N 1 2 327.428 2.437 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2csc(C(C)(C)C)n2)CC1 ZINC001113430942 808960719 /nfs/dbraw/zinc/96/07/19/808960719.db2.gz BYUUQFUKWPLOPP-UHFFFAOYSA-N 1 2 337.489 2.401 20 30 EEEDLO Cc1cc(N(C)[C@H](C)CNC(=O)c2cc(C#N)c[nH]2)nc(C(C)C)[nH+]1 ZINC001113556039 809201765 /nfs/dbraw/zinc/20/17/65/809201765.db2.gz ZUPPLWVYPFBQEI-CYBMUJFWSA-N 1 2 340.431 2.363 20 30 EEEDLO N#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001086599345 809272371 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EEEDLO C#CCOc1ccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000806263218 811805922 /nfs/dbraw/zinc/80/59/22/811805922.db2.gz DRCWZCZWSCTBJJ-WBVHZDCISA-N 1 2 343.427 2.026 20 30 EEEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](CCC)CC(C)C)CC1 ZINC001131399724 812765047 /nfs/dbraw/zinc/76/50/47/812765047.db2.gz XVHQZBYYCATLPH-KRWDZBQOSA-N 1 2 337.508 2.285 20 30 EEEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](CCC)CC(C)C)CC1 ZINC001131399724 812765052 /nfs/dbraw/zinc/76/50/52/812765052.db2.gz XVHQZBYYCATLPH-KRWDZBQOSA-N 1 2 337.508 2.285 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)O[C@@]2(CC[N@H+](Cc3nc(C)c(C)o3)C2)C1 ZINC001131645005 813068838 /nfs/dbraw/zinc/06/88/38/813068838.db2.gz BEFWMXWUEQXSIF-IFXJQAMLSA-N 1 2 347.459 2.449 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)O[C@@]2(CC[N@@H+](Cc3nc(C)c(C)o3)C2)C1 ZINC001131645005 813068845 /nfs/dbraw/zinc/06/88/45/813068845.db2.gz BEFWMXWUEQXSIF-IFXJQAMLSA-N 1 2 347.459 2.449 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@H+](Cc3nocc3C)C2)C1 ZINC001131650928 813081680 /nfs/dbraw/zinc/08/16/80/813081680.db2.gz YNIIUSMLJDJUPE-CRAIPNDOSA-N 1 2 333.432 2.141 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@@H+](Cc3nocc3C)C2)C1 ZINC001131650928 813081686 /nfs/dbraw/zinc/08/16/86/813081686.db2.gz YNIIUSMLJDJUPE-CRAIPNDOSA-N 1 2 333.432 2.141 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cncc(OC)n2)C1 ZINC001437905224 1090485256 /nfs/dbraw/zinc/48/52/56/1090485256.db2.gz OMROPPKRGUDCQL-CYBMUJFWSA-N 1 2 338.839 2.164 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cncc(OC)n2)C1 ZINC001437905224 1090485257 /nfs/dbraw/zinc/48/52/57/1090485257.db2.gz OMROPPKRGUDCQL-CYBMUJFWSA-N 1 2 338.839 2.164 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(C(F)(F)F)n(C)n1 ZINC001440942630 1094195726 /nfs/dbraw/zinc/19/57/26/1094195726.db2.gz WIRKXOYDHMFSQR-SECBINFHSA-N 1 2 338.761 2.242 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc(C(F)(F)F)n(C)n1 ZINC001440942630 1094195727 /nfs/dbraw/zinc/19/57/27/1094195727.db2.gz WIRKXOYDHMFSQR-SECBINFHSA-N 1 2 338.761 2.242 20 30 EEEDLO C[C@H](C#N)C(=O)NC1C[NH+](CCn2ccc3cc(Cl)ccc32)C1 ZINC001443459232 1097961932 /nfs/dbraw/zinc/96/19/32/1097961932.db2.gz JAJQCYHZWHJIGS-GFCCVEGCSA-N 1 2 330.819 2.255 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001479905430 1099291975 /nfs/dbraw/zinc/29/19/75/1099291975.db2.gz HOGZQOYNVGAAMI-SJORKVTESA-N 1 2 333.476 2.006 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001479905430 1099291982 /nfs/dbraw/zinc/29/19/82/1099291982.db2.gz HOGZQOYNVGAAMI-SJORKVTESA-N 1 2 333.476 2.006 20 30 EEEDLO CCCN(C(=O)[C@@H](C)C#N)C1CC[NH+]([C@H](C)c2nc(C)no2)CC1 ZINC001479991890 1099455544 /nfs/dbraw/zinc/45/55/44/1099455544.db2.gz RHTMDGUMCYTJCR-QWHCGFSZSA-N 1 2 333.436 2.302 20 30 EEEDLO Cc1nc(C)c(C(=O)N(C)CC[N@H+](C)Cc2cc(C#N)ccc2F)[nH]1 ZINC001445031844 1100201402 /nfs/dbraw/zinc/20/14/02/1100201402.db2.gz SLOLUHZFTVHXOK-UHFFFAOYSA-N 1 2 343.406 2.241 20 30 EEEDLO Cc1nc(C)c(C(=O)N(C)CC[N@@H+](C)Cc2cc(C#N)ccc2F)[nH]1 ZINC001445031844 1100201407 /nfs/dbraw/zinc/20/14/07/1100201407.db2.gz SLOLUHZFTVHXOK-UHFFFAOYSA-N 1 2 343.406 2.241 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cn(CC(F)F)nc1C ZINC001496723563 1101343718 /nfs/dbraw/zinc/34/37/18/1101343718.db2.gz OLDJTISNGNVQBJ-UHFFFAOYSA-N 1 2 334.798 2.213 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cn(CC(F)F)nc1C ZINC001496723563 1101343736 /nfs/dbraw/zinc/34/37/36/1101343736.db2.gz OLDJTISNGNVQBJ-UHFFFAOYSA-N 1 2 334.798 2.213 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)C1=COCCC1 ZINC001447326031 1102451923 /nfs/dbraw/zinc/45/19/23/1102451923.db2.gz HUQJUTWVIUWUTH-UHFFFAOYSA-N 1 2 331.254 2.370 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)C1=COCCC1 ZINC001447326031 1102451931 /nfs/dbraw/zinc/45/19/31/1102451931.db2.gz HUQJUTWVIUWUTH-UHFFFAOYSA-N 1 2 331.254 2.370 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)CCc2ccnn2C)C1 ZINC001493956785 1103193244 /nfs/dbraw/zinc/19/32/44/1103193244.db2.gz PLHVMJQVZBXOMI-INIZCTEOSA-N 1 2 338.883 2.418 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)CCc2ccnn2C)C1 ZINC001493956785 1103193245 /nfs/dbraw/zinc/19/32/45/1103193245.db2.gz PLHVMJQVZBXOMI-INIZCTEOSA-N 1 2 338.883 2.418 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)CCc2ccncc2)C1 ZINC001494567188 1104156222 /nfs/dbraw/zinc/15/62/22/1104156222.db2.gz ARQYETDUBSERJL-UHFFFAOYSA-N 1 2 334.423 2.134 20 30 EEEDLO C=C(Cl)C[NH2+]C1(CNC(=O)c2ccc(-c3nnc[nH]3)cc2)CCC1 ZINC001502014604 1113559061 /nfs/dbraw/zinc/55/90/61/1113559061.db2.gz DNQZRDCICHDMHA-UHFFFAOYSA-N 1 2 345.834 2.466 20 30 EEEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)CC(F)(F)F ZINC001515031313 1118929508 /nfs/dbraw/zinc/92/95/08/1118929508.db2.gz KBVOFOMAWNEWNR-UHFFFAOYSA-N 1 2 328.342 2.177 20 30 EEEDLO COc1cccc(NC(=O)[C@@H](C#N)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001524028418 1119963384 /nfs/dbraw/zinc/96/33/84/1119963384.db2.gz BQIKEIINZUJBOH-HOTGVXAUSA-N 1 2 329.400 2.215 20 30 EEEDLO COc1cccc(NC(=O)[C@@H](C#N)C(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001524028418 1119963386 /nfs/dbraw/zinc/96/33/86/1119963386.db2.gz BQIKEIINZUJBOH-HOTGVXAUSA-N 1 2 329.400 2.215 20 30 EEEDLO Cc1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001543220369 1124124859 /nfs/dbraw/zinc/12/48/59/1124124859.db2.gz PPBAWFCAMXYBCQ-UHFFFAOYSA-N 1 2 339.447 2.226 20 30 EEEDLO CN(C)c1ccc(CNC(=O)N2CCC3(CNC(=O)C3)CC2)c[nH+]1 ZINC000329849805 539785426 /nfs/dbraw/zinc/78/54/26/539785426.db2.gz ZKXUOJWPCHSYAY-UHFFFAOYSA-N 1 2 331.420 2.004 20 30 EEEDLO Cc1ccc([C@H](CNC(=O)N2CCO[C@H](C#N)C2)[NH+]2CCCC2)cc1 ZINC000106336524 237111002 /nfs/dbraw/zinc/11/10/02/237111002.db2.gz NXROGHQKKSFQNE-MSOLQXFVSA-N 1 2 342.443 2.066 20 30 EEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000191839521 239331773 /nfs/dbraw/zinc/33/17/73/239331773.db2.gz SUPSBNRWPUKUPK-HNNXBMFYSA-N 1 2 337.217 2.312 20 30 EEEDLO N#Cc1ccc(Br)c(C[N@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000191839521 239331778 /nfs/dbraw/zinc/33/17/78/239331778.db2.gz SUPSBNRWPUKUPK-HNNXBMFYSA-N 1 2 337.217 2.312 20 30 EEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(CC#N)cc3Cl)C[C@H]21 ZINC000455724654 244067495 /nfs/dbraw/zinc/06/74/95/244067495.db2.gz CIBBUUFXDOPYGO-HZPDHXFCSA-N 1 2 348.834 2.343 20 30 EEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(CC#N)cc3Cl)C[C@H]21 ZINC000455724654 244067499 /nfs/dbraw/zinc/06/74/99/244067499.db2.gz CIBBUUFXDOPYGO-HZPDHXFCSA-N 1 2 348.834 2.343 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H]2CCC3(CCCC3)O2)n1 ZINC000491651673 246096696 /nfs/dbraw/zinc/09/66/96/246096696.db2.gz IDGMOAHMEMLWIY-GOSISDBHSA-N 1 2 331.460 2.457 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H]2CCC3(CCCC3)O2)n1 ZINC000491651673 246096704 /nfs/dbraw/zinc/09/67/04/246096704.db2.gz IDGMOAHMEMLWIY-GOSISDBHSA-N 1 2 331.460 2.457 20 30 EEEDLO Cc1sc(NC(=O)C[N@H+](CCO)Cc2cccnc2)c(C#N)c1C ZINC000268637345 252090340 /nfs/dbraw/zinc/09/03/40/252090340.db2.gz CQRQURSWUSOGKE-UHFFFAOYSA-N 1 2 344.440 2.065 20 30 EEEDLO Cc1sc(NC(=O)C[N@@H+](CCO)Cc2cccnc2)c(C#N)c1C ZINC000268637345 252090343 /nfs/dbraw/zinc/09/03/43/252090343.db2.gz CQRQURSWUSOGKE-UHFFFAOYSA-N 1 2 344.440 2.065 20 30 EEEDLO C#CCn1ccc(CN(CC)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000491295431 533214121 /nfs/dbraw/zinc/21/41/21/533214121.db2.gz HNARCIULCZAYEW-UHFFFAOYSA-N 1 2 347.422 2.423 20 30 EEEDLO CCN(CC)C(=O)C[NH+]1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000273020524 256257737 /nfs/dbraw/zinc/25/77/37/256257737.db2.gz BWHFNGYYLIBVQH-UHFFFAOYSA-N 1 2 334.851 2.202 20 30 EEEDLO COCC1(C#N)CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000341990083 269725270 /nfs/dbraw/zinc/72/52/70/269725270.db2.gz LPVMCSZZKUMDGY-UHFFFAOYSA-N 1 2 337.383 2.360 20 30 EEEDLO C#C[C@H](CC)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000491675549 533304048 /nfs/dbraw/zinc/30/40/48/533304048.db2.gz UONNKKAWXOHMAS-ZBFHGGJFSA-N 1 2 326.400 2.229 20 30 EEEDLO C#C[C@H](NC(=O)N[C@H](C)C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000491807803 533330562 /nfs/dbraw/zinc/33/05/62/533330562.db2.gz UMWXLMBRANFBEO-CJNGLKHVSA-N 1 2 335.835 2.034 20 30 EEEDLO C[N@H+](CCOc1ccccc1F)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115532967 152027264 /nfs/dbraw/zinc/02/72/64/152027264.db2.gz RRCLOELHUSEHDS-QGZVFWFLSA-N 1 2 327.359 2.235 20 30 EEEDLO C[N@@H+](CCOc1ccccc1F)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115532967 152027270 /nfs/dbraw/zinc/02/72/70/152027270.db2.gz RRCLOELHUSEHDS-QGZVFWFLSA-N 1 2 327.359 2.235 20 30 EEEDLO N#Cc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(N)c1[N+](=O)[O-] ZINC000342671287 161081810 /nfs/dbraw/zinc/08/18/10/161081810.db2.gz GSTBQZIHYCQGKJ-CQSZACIVSA-N 1 2 325.328 2.101 20 30 EEEDLO Cc1cnc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 ZINC000296845845 270018562 /nfs/dbraw/zinc/01/85/62/270018562.db2.gz OKRJGQDMTPZISV-OAHLLOKOSA-N 1 2 326.425 2.214 20 30 EEEDLO COc1cc[nH+]cc1CNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000294354781 266906189 /nfs/dbraw/zinc/90/61/89/266906189.db2.gz BKFMEFRUHTWPSF-UHFFFAOYSA-N 1 2 325.368 2.436 20 30 EEEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCOCC1 ZINC000332528474 267127414 /nfs/dbraw/zinc/12/74/14/267127414.db2.gz OSBUDYMHMYHQQY-INIZCTEOSA-N 1 2 341.455 2.265 20 30 EEEDLO COC(=O)c1cccc(C[NH+]2CCC(OC(=O)N(C)C)CC2)c1C#N ZINC000495597557 267417243 /nfs/dbraw/zinc/41/72/43/267417243.db2.gz NOHIIYYWRYMJKA-UHFFFAOYSA-N 1 2 345.399 2.007 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000414462916 268030675 /nfs/dbraw/zinc/03/06/75/268030675.db2.gz UVTMADLSXQOJKC-UHFFFAOYSA-N 1 2 336.442 2.186 20 30 EEEDLO Cc1ccc([C@@H](CNc2cc(C)ncc2C#N)[NH+]2CCOCC2)cc1 ZINC000425217551 268043736 /nfs/dbraw/zinc/04/37/36/268043736.db2.gz UZCRBVHXORQKQJ-HXUWFJFHSA-N 1 2 336.439 2.477 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ncc(C#N)cc3F)CC2)no1 ZINC000413252578 268075784 /nfs/dbraw/zinc/07/57/84/268075784.db2.gz XEDREYALUHHLET-CQSZACIVSA-N 1 2 344.394 2.275 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ncc(C#N)cc3F)CC2)no1 ZINC000413252578 268075787 /nfs/dbraw/zinc/07/57/87/268075787.db2.gz XEDREYALUHHLET-CQSZACIVSA-N 1 2 344.394 2.275 20 30 EEEDLO N#Cc1ccc(CS(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000288346201 268078601 /nfs/dbraw/zinc/07/86/01/268078601.db2.gz MNHFZEYCYHCRMU-HNNXBMFYSA-N 1 2 330.413 2.338 20 30 EEEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)c(Cl)c1 ZINC000277753325 269178815 /nfs/dbraw/zinc/17/88/15/269178815.db2.gz LSGXGCFUGOEJKV-MRXNPFEDSA-N 1 2 332.835 2.002 20 30 EEEDLO Cc1cc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)ccc1C#N ZINC000278118298 269209035 /nfs/dbraw/zinc/20/90/35/269209035.db2.gz XXWYIZDFKHTPLA-HNNXBMFYSA-N 1 2 333.413 2.041 20 30 EEEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2ccc(Cl)c(C#N)c2)no1 ZINC000543617847 318163703 /nfs/dbraw/zinc/16/37/03/318163703.db2.gz HEVBMZKDZTULNP-UHFFFAOYSA-N 1 2 347.806 2.321 20 30 EEEDLO Cc1cc(C#N)cnc1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000551181571 318459976 /nfs/dbraw/zinc/45/99/76/318459976.db2.gz DRJUNRRDTYAAJA-HNNXBMFYSA-N 1 2 335.411 2.176 20 30 EEEDLO N#Cc1ccncc1N1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000582158217 324390525 /nfs/dbraw/zinc/39/05/25/324390525.db2.gz NCWZGKRGSVPZTN-UHFFFAOYSA-N 1 2 336.395 2.047 20 30 EEEDLO CCc1cnc(C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)s1 ZINC000267007274 464903460 /nfs/dbraw/zinc/90/34/60/464903460.db2.gz GAUKNFJPGFRMSF-CQSZACIVSA-N 1 2 331.441 2.449 20 30 EEEDLO CCc1cnc(C[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)s1 ZINC000267007274 464903465 /nfs/dbraw/zinc/90/34/65/464903465.db2.gz GAUKNFJPGFRMSF-CQSZACIVSA-N 1 2 331.441 2.449 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(C)oc3C)n2C(C)C)CC1 ZINC000296015857 465051745 /nfs/dbraw/zinc/05/17/45/465051745.db2.gz OTSDLHMRUZBLAG-UHFFFAOYSA-N 1 2 327.432 2.491 20 30 EEEDLO CC(C)c1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)no1 ZINC000328613747 465071624 /nfs/dbraw/zinc/07/16/24/465071624.db2.gz QOYTUMSHYRCTNF-UHFFFAOYSA-N 1 2 349.479 2.683 20 30 EEEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@H]1CCCOC1 ZINC000328851982 465147036 /nfs/dbraw/zinc/14/70/36/465147036.db2.gz VMWCNUSEKQXTGE-LBPRGKRZSA-N 1 2 330.388 2.414 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1COCCN1C)c1ccc(Cl)cc1 ZINC000328934924 465173538 /nfs/dbraw/zinc/17/35/38/465173538.db2.gz FJPXXDHGJPGYGU-HUUCEWRRSA-N 1 2 348.834 2.450 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCSC3)CC2)cc1 ZINC000351515068 465196559 /nfs/dbraw/zinc/19/65/59/465196559.db2.gz RRXXPQDICHAUSY-KRWDZBQOSA-N 1 2 329.469 2.346 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)c2ccccn2)CCC(=O)N1C1CC1 ZINC000329052055 465217407 /nfs/dbraw/zinc/21/74/07/465217407.db2.gz WTXPCCVIJDYOIT-CXAGYDPISA-N 1 2 339.399 2.014 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cn(C(C)(C)C)nn1)C1CCOCC1 ZINC000329079725 465226054 /nfs/dbraw/zinc/22/60/54/465226054.db2.gz RBIYNMUKPYMKAU-AWEZNQCLSA-N 1 2 346.435 2.239 20 30 EEEDLO CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000329127032 465242041 /nfs/dbraw/zinc/24/20/41/465242041.db2.gz UOHMFHAATKYMLE-LSDHHAIUSA-N 1 2 347.463 2.355 20 30 EEEDLO C=CC[C@H](CO)CNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000341847498 465268137 /nfs/dbraw/zinc/26/81/37/465268137.db2.gz XRZXRXZVAFMVOD-WFASDCNBSA-N 1 2 341.402 2.051 20 30 EEEDLO C=CCCCN(C)C(=O)C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000297809092 465271208 /nfs/dbraw/zinc/27/12/08/465271208.db2.gz MMRMMYFPDNHHDQ-UHFFFAOYSA-N 1 2 334.464 2.109 20 30 EEEDLO N#CCCCOc1cccnc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000341958299 465278218 /nfs/dbraw/zinc/27/82/18/465278218.db2.gz MPDVGXFIQRKQSW-CYBMUJFWSA-N 1 2 340.387 2.097 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCOC1CCCCC1 ZINC000329248314 465278995 /nfs/dbraw/zinc/27/89/95/465278995.db2.gz SKBJRYRSZPAOKK-CVEARBPZSA-N 1 2 339.480 2.045 20 30 EEEDLO Cc1cn2cc(NC(=O)N3CCOC[C@H]3[C@@H]3CCCO3)ccc2[nH+]1 ZINC000329254768 465281880 /nfs/dbraw/zinc/28/18/80/465281880.db2.gz AKPOCTNEZWHVNJ-GJZGRUSLSA-N 1 2 330.388 2.068 20 30 EEEDLO Cc1nc(CN(C)[C@@H]2CCC[N@H+](Cc3nc(C#N)cs3)CC2)no1 ZINC000356311394 465306990 /nfs/dbraw/zinc/30/69/90/465306990.db2.gz YYZNAKKHZFVIGY-CQSZACIVSA-N 1 2 346.460 2.193 20 30 EEEDLO Cc1nc(CN(C)[C@@H]2CCC[N@@H+](Cc3nc(C#N)cs3)CC2)no1 ZINC000356311394 465306996 /nfs/dbraw/zinc/30/69/96/465306996.db2.gz YYZNAKKHZFVIGY-CQSZACIVSA-N 1 2 346.460 2.193 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(Cc3nc(C#N)cs3)CC2)no1 ZINC000356311394 465307002 /nfs/dbraw/zinc/30/70/02/465307002.db2.gz YYZNAKKHZFVIGY-CQSZACIVSA-N 1 2 346.460 2.193 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(Cc3nc(C#N)cs3)CC2)no1 ZINC000356311394 465307011 /nfs/dbraw/zinc/30/70/11/465307011.db2.gz YYZNAKKHZFVIGY-CQSZACIVSA-N 1 2 346.460 2.193 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@H](O)C2)c1C#N ZINC000351824173 465383258 /nfs/dbraw/zinc/38/32/58/465383258.db2.gz FDCNHXWSMLGLPX-SJKOYZFVSA-N 1 2 344.459 2.343 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1C#N ZINC000351824173 465383261 /nfs/dbraw/zinc/38/32/61/465383261.db2.gz FDCNHXWSMLGLPX-SJKOYZFVSA-N 1 2 344.459 2.343 20 30 EEEDLO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ncn(C(C)(C)C)n2)CC1 ZINC000329668614 465402783 /nfs/dbraw/zinc/40/27/83/465402783.db2.gz SBMQYFVORPVJJR-UHFFFAOYSA-N 1 2 345.451 2.267 20 30 EEEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)CC2)cn1 ZINC000329688334 465406966 /nfs/dbraw/zinc/40/69/66/465406966.db2.gz CBLORKDMOOJUBM-RCCFBDPRSA-N 1 2 345.491 2.421 20 30 EEEDLO C[C@]1(C[NH+]=C([O-])N[C@H]2CCc3[nH]c[nH+]c3C2)OCCc2sccc21 ZINC000329706406 465411378 /nfs/dbraw/zinc/41/13/78/465411378.db2.gz JZQRUUGFZBDBNC-APPDUMDISA-N 1 2 346.456 2.320 20 30 EEEDLO C=CCCOCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000535251417 468304381 /nfs/dbraw/zinc/30/43/81/468304381.db2.gz HWOQYNJJTZQIPB-MRXNPFEDSA-N 1 2 328.416 2.401 20 30 EEEDLO C[C@@H](C(=O)N1CCCC1)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000088596121 462637705 /nfs/dbraw/zinc/63/77/05/462637705.db2.gz LROKAYHCYWKZLX-IRXDYDNUSA-N 1 2 340.471 2.248 20 30 EEEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000088596121 462637710 /nfs/dbraw/zinc/63/77/10/462637710.db2.gz LROKAYHCYWKZLX-IRXDYDNUSA-N 1 2 340.471 2.248 20 30 EEEDLO CCOC(=O)C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000128542878 462650879 /nfs/dbraw/zinc/65/08/79/462650879.db2.gz KELDJGZOAOZTLP-UHFFFAOYSA-N 1 2 326.400 2.459 20 30 EEEDLO CCOC(=O)C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000128542878 462650883 /nfs/dbraw/zinc/65/08/83/462650883.db2.gz KELDJGZOAOZTLP-UHFFFAOYSA-N 1 2 326.400 2.459 20 30 EEEDLO C=CC[N@@H+](CC(=O)N[C@H](C(C)=O)C(C)C)Cc1cccc(C#N)c1 ZINC000154488439 462773911 /nfs/dbraw/zinc/77/39/11/462773911.db2.gz WNOSUBHUVSEOFX-IBGZPJMESA-N 1 2 327.428 2.276 20 30 EEEDLO C=CC[N@H+](CC(=O)N[C@H](C(C)=O)C(C)C)Cc1cccc(C#N)c1 ZINC000154488439 462773914 /nfs/dbraw/zinc/77/39/14/462773914.db2.gz WNOSUBHUVSEOFX-IBGZPJMESA-N 1 2 327.428 2.276 20 30 EEEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000076119128 462810664 /nfs/dbraw/zinc/81/06/64/462810664.db2.gz PDFHYPBWCDCEAO-ICSRJNTNSA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000076119128 462810669 /nfs/dbraw/zinc/81/06/69/462810669.db2.gz PDFHYPBWCDCEAO-ICSRJNTNSA-N 1 2 338.407 2.371 20 30 EEEDLO Cc1ccn2cc(CNS(=O)(=O)c3ccc(C#N)cc3C)[nH+]c2c1 ZINC000077386951 462977289 /nfs/dbraw/zinc/97/72/89/462977289.db2.gz XKCWVOBKPOXUCJ-UHFFFAOYSA-N 1 2 340.408 2.301 20 30 EEEDLO CC(=O)N1CC[NH+](CCNc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000067351175 462995182 /nfs/dbraw/zinc/99/51/82/462995182.db2.gz UPWJKVSGBUUGIQ-UHFFFAOYSA-N 1 2 340.349 2.153 20 30 EEEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121100084 463078666 /nfs/dbraw/zinc/07/86/66/463078666.db2.gz YZGPVOIIPGBXSO-RHSMWYFYSA-N 1 2 337.379 2.400 20 30 EEEDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000157208580 463108023 /nfs/dbraw/zinc/10/80/23/463108023.db2.gz YHRBRSIYHYJDMU-DZGCQCFKSA-N 1 2 343.345 2.408 20 30 EEEDLO C[C@H](O)C[C@@H]1COCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000157208580 463108027 /nfs/dbraw/zinc/10/80/27/463108027.db2.gz YHRBRSIYHYJDMU-DZGCQCFKSA-N 1 2 343.345 2.408 20 30 EEEDLO CCC(=O)N1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000122670471 463283307 /nfs/dbraw/zinc/28/33/07/463283307.db2.gz KAXPHIBQXBGMFP-UHFFFAOYSA-N 1 2 348.834 2.094 20 30 EEEDLO CCC(=O)N1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000122670471 463283309 /nfs/dbraw/zinc/28/33/09/463283309.db2.gz KAXPHIBQXBGMFP-UHFFFAOYSA-N 1 2 348.834 2.094 20 30 EEEDLO Cc1cc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)c[nH+]1 ZINC000590824479 468349402 /nfs/dbraw/zinc/34/94/02/468349402.db2.gz WRWUEPWZBAYIEO-OAHLLOKOSA-N 1 2 337.383 2.072 20 30 EEEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCOC4(CCCC4)C3)C2=O)cc1 ZINC000139804714 463332491 /nfs/dbraw/zinc/33/24/91/463332491.db2.gz YGDYEUDBKNILTE-QGZVFWFLSA-N 1 2 325.412 2.309 20 30 EEEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCOC4(CCCC4)C3)C2=O)cc1 ZINC000139804714 463332497 /nfs/dbraw/zinc/33/24/97/463332497.db2.gz YGDYEUDBKNILTE-QGZVFWFLSA-N 1 2 325.412 2.309 20 30 EEEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000080906804 463365120 /nfs/dbraw/zinc/36/51/20/463365120.db2.gz JDLQJZMDAUTPRV-IBGZPJMESA-N 1 2 340.471 2.318 20 30 EEEDLO CCOC(=O)c1c(C)oc2nc(C[NH+]3CCC(C#N)CC3)nc(N)c21 ZINC000160736075 463365697 /nfs/dbraw/zinc/36/56/97/463365697.db2.gz JTEKWWCRGVEQGP-UHFFFAOYSA-N 1 2 343.387 2.026 20 30 EEEDLO CC[N@H+](CCC#N)C[C@H](O)COc1ccc(Br)cc1 ZINC000081514186 463452411 /nfs/dbraw/zinc/45/24/11/463452411.db2.gz ZLSMFATYILWQLA-ZDUSSCGKSA-N 1 2 327.222 2.424 20 30 EEEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(Br)cc1 ZINC000081514186 463452417 /nfs/dbraw/zinc/45/24/17/463452417.db2.gz ZLSMFATYILWQLA-ZDUSSCGKSA-N 1 2 327.222 2.424 20 30 EEEDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccccc1C#N ZINC000057843160 463523344 /nfs/dbraw/zinc/52/33/44/463523344.db2.gz VOLCCDGAXQNEJV-CYBMUJFWSA-N 1 2 329.425 2.399 20 30 EEEDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccccc1C#N ZINC000057843160 463523345 /nfs/dbraw/zinc/52/33/45/463523345.db2.gz VOLCCDGAXQNEJV-CYBMUJFWSA-N 1 2 329.425 2.399 20 30 EEEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1CCC(C#N)CC1 ZINC000057877878 463525656 /nfs/dbraw/zinc/52/56/56/463525656.db2.gz WGNVMRADGPEXTN-CYBMUJFWSA-N 1 2 329.400 2.410 20 30 EEEDLO C[C@H]1CN(c2ccc(CNC(=O)c3cc(C#N)cs3)c[nH+]2)CCO1 ZINC000084083442 463577139 /nfs/dbraw/zinc/57/71/39/463577139.db2.gz OQGJQNIIGUWNRV-LBPRGKRZSA-N 1 2 342.424 2.170 20 30 EEEDLO C[C@H]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@@H]1n1cc[nH+]c1 ZINC000127158322 463686660 /nfs/dbraw/zinc/68/66/60/463686660.db2.gz USZFYDLGNFZJAW-HOCLYGCPSA-N 1 2 337.379 2.073 20 30 EEEDLO COc1cccc(C(N)=[NH+]OCC(=O)N([C@@H](C)C2CC2)C2CC2)c1 ZINC000177504320 463722906 /nfs/dbraw/zinc/72/29/06/463722906.db2.gz YGJOMUWZGGPVHQ-LBPRGKRZSA-N 1 2 331.416 2.122 20 30 EEEDLO C=C(C)CN(CC)C(=O)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000283228038 463812337 /nfs/dbraw/zinc/81/23/37/463812337.db2.gz BTTZGQRYLLDQEP-UHFFFAOYSA-N 1 2 342.443 2.276 20 30 EEEDLO CC(=O)N1CC[NH+](CCNc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000269168406 463896863 /nfs/dbraw/zinc/89/68/63/463896863.db2.gz QUGXNSNBGNBBNF-UHFFFAOYSA-N 1 2 340.349 2.153 20 30 EEEDLO N#CCC[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000277654045 463924896 /nfs/dbraw/zinc/92/48/96/463924896.db2.gz YOSUQYXPICCAMK-QGZVFWFLSA-N 1 2 342.443 2.195 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000178778090 463971120 /nfs/dbraw/zinc/97/11/20/463971120.db2.gz HWQMMJQPOFEVCC-UHFFFAOYSA-N 1 2 331.435 2.144 20 30 EEEDLO C=CCN(CC=C)C(=O)CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178778090 463971123 /nfs/dbraw/zinc/97/11/23/463971123.db2.gz HWQMMJQPOFEVCC-UHFFFAOYSA-N 1 2 331.435 2.144 20 30 EEEDLO COc1cccc(C)c1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000194995828 463972092 /nfs/dbraw/zinc/97/20/92/463972092.db2.gz WEIOPWYBPUDNSU-UHFFFAOYSA-N 1 2 346.431 2.083 20 30 EEEDLO Cc1cc(C#N)ccc1C[N@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000186313978 463974458 /nfs/dbraw/zinc/97/44/58/463974458.db2.gz DCNLKUAJBPLVLT-QZTJIDSGSA-N 1 2 348.468 2.035 20 30 EEEDLO Cc1cc(C#N)ccc1C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000186313978 463974462 /nfs/dbraw/zinc/97/44/62/463974462.db2.gz DCNLKUAJBPLVLT-QZTJIDSGSA-N 1 2 348.468 2.035 20 30 EEEDLO CC(C)(C)OC(=O)NCC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000178868252 463998151 /nfs/dbraw/zinc/99/81/51/463998151.db2.gz MHULLEYHYPEIQN-QGZVFWFLSA-N 1 2 344.459 2.394 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1C#N ZINC000269610977 464033952 /nfs/dbraw/zinc/03/39/52/464033952.db2.gz BEAOZFGGQCNUEN-UHFFFAOYSA-N 1 2 333.395 2.156 20 30 EEEDLO C=CC[C@H](C)NC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000186871946 464076017 /nfs/dbraw/zinc/07/60/17/464076017.db2.gz QQHXDCSFXOCWJJ-HNNXBMFYSA-N 1 2 344.459 2.437 20 30 EEEDLO C[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000279636999 464118017 /nfs/dbraw/zinc/11/80/17/464118017.db2.gz AFMSIGYFQALCDC-HUUCEWRRSA-N 1 2 329.444 2.327 20 30 EEEDLO C=CCN(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000187518867 464137442 /nfs/dbraw/zinc/13/74/42/464137442.db2.gz MHSWUQIKASOWBW-UHFFFAOYSA-N 1 2 326.400 2.346 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000188112289 464202546 /nfs/dbraw/zinc/20/25/46/464202546.db2.gz QWBSXJVIKBBZHG-AZUAARDMSA-N 1 2 346.471 2.405 20 30 EEEDLO C=CCn1c(SCC[N@@H+]2CCO[C@@H](C)C2)nnc1-c1ccncc1 ZINC000188229044 464229645 /nfs/dbraw/zinc/22/96/45/464229645.db2.gz AIJRNJHALPYRDE-AWEZNQCLSA-N 1 2 345.472 2.339 20 30 EEEDLO C=CCn1c(SCC[N@H+]2CCO[C@@H](C)C2)nnc1-c1ccncc1 ZINC000188229044 464229652 /nfs/dbraw/zinc/22/96/52/464229652.db2.gz AIJRNJHALPYRDE-AWEZNQCLSA-N 1 2 345.472 2.339 20 30 EEEDLO N#Cc1ccc(C(=O)NCC[N@@H+]2CCc3sccc3C2)cc1O ZINC000188357726 464262172 /nfs/dbraw/zinc/26/21/72/464262172.db2.gz XCVXVVFBAKXEHA-UHFFFAOYSA-N 1 2 327.409 2.113 20 30 EEEDLO N#Cc1ccc(C(=O)NCC[N@H+]2CCc3sccc3C2)cc1O ZINC000188357726 464262176 /nfs/dbraw/zinc/26/21/76/464262176.db2.gz XCVXVVFBAKXEHA-UHFFFAOYSA-N 1 2 327.409 2.113 20 30 EEEDLO C=CC[N@@H+](CCOc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000343036238 465468041 /nfs/dbraw/zinc/46/80/41/465468041.db2.gz ZQEKZTDSBBTZPX-ZDUSSCGKSA-N 1 2 329.849 2.394 20 30 EEEDLO C=CC[N@H+](CCOc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000343036238 465468044 /nfs/dbraw/zinc/46/80/44/465468044.db2.gz ZQEKZTDSBBTZPX-ZDUSSCGKSA-N 1 2 329.849 2.394 20 30 EEEDLO C[C@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1ccc(C#N)cc1 ZINC000271641541 464349322 /nfs/dbraw/zinc/34/93/22/464349322.db2.gz HAEPKNJTGKFNKJ-LBPRGKRZSA-N 1 2 328.441 2.496 20 30 EEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCC(=O)Nc1cc(F)ccc1F ZINC000174219387 464379508 /nfs/dbraw/zinc/37/95/08/464379508.db2.gz UMKDBWDAAYYMMK-SNVBAGLBSA-N 1 2 329.347 2.253 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000293292573 464397883 /nfs/dbraw/zinc/39/78/83/464397883.db2.gz WDCGJHZDNYTUAY-HOTGVXAUSA-N 1 2 329.444 2.194 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000293292573 464397884 /nfs/dbraw/zinc/39/78/84/464397884.db2.gz WDCGJHZDNYTUAY-HOTGVXAUSA-N 1 2 329.444 2.194 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000293593655 464413426 /nfs/dbraw/zinc/41/34/26/464413426.db2.gz CXFLQWZBQDCGJG-KRWDZBQOSA-N 1 2 346.471 2.173 20 30 EEEDLO C=CCN1CC[C@H]([NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)C1=O ZINC000281367062 464428527 /nfs/dbraw/zinc/42/85/27/464428527.db2.gz YEEICTMIHRQJHN-DLBZAZTESA-N 1 2 328.391 2.025 20 30 EEEDLO COc1ccc([C@@H](CNc2cccc(C#N)n2)[NH+]2CCOCC2)cc1 ZINC000265487749 464578255 /nfs/dbraw/zinc/57/82/55/464578255.db2.gz FMCYJJZCVFPRAM-GOSISDBHSA-N 1 2 338.411 2.447 20 30 EEEDLO C=C(Cl)CNC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000265500819 464582682 /nfs/dbraw/zinc/58/26/82/464582682.db2.gz ZNNDIBUQHOJRPF-UHFFFAOYSA-N 1 2 341.814 2.414 20 30 EEEDLO CC[C@H]1C[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000272572221 464664400 /nfs/dbraw/zinc/66/44/00/464664400.db2.gz JZYLIFAEZBAZJI-MOPGFXCFSA-N 1 2 341.455 2.408 20 30 EEEDLO CC(C)N1CCC[C@H]([NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1=O ZINC000176151708 464709232 /nfs/dbraw/zinc/70/92/32/464709232.db2.gz CFLHFLXBRHDOMS-OALUTQOASA-N 1 2 340.471 2.268 20 30 EEEDLO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000248751849 464796986 /nfs/dbraw/zinc/79/69/86/464796986.db2.gz GYBMXSVQPYVIJX-UKRRQHHQSA-N 1 2 344.415 2.096 20 30 EEEDLO CCOC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000248751849 464796992 /nfs/dbraw/zinc/79/69/92/464796992.db2.gz GYBMXSVQPYVIJX-UKRRQHHQSA-N 1 2 344.415 2.096 20 30 EEEDLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000191630782 464823419 /nfs/dbraw/zinc/82/34/19/464823419.db2.gz HDZKMZQDHSFIOB-KUHUBIRLSA-N 1 2 344.434 2.145 20 30 EEEDLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000191630782 464823423 /nfs/dbraw/zinc/82/34/23/464823423.db2.gz HDZKMZQDHSFIOB-KUHUBIRLSA-N 1 2 344.434 2.145 20 30 EEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1nc(C(F)(F)F)ccc1C#N ZINC000286217387 464842782 /nfs/dbraw/zinc/84/27/82/464842782.db2.gz CUBKAIFYDPJVJA-WCQYABFASA-N 1 2 340.349 2.271 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192068751 464860433 /nfs/dbraw/zinc/86/04/33/464860433.db2.gz AKGJVNCESLCXLM-ZDUSSCGKSA-N 1 2 336.374 2.070 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192068751 464860438 /nfs/dbraw/zinc/86/04/38/464860438.db2.gz AKGJVNCESLCXLM-ZDUSSCGKSA-N 1 2 336.374 2.070 20 30 EEEDLO Cc1cc(S(=O)(=O)N2CC[NH+]([C@@H](C)CCC#N)CC2)c(C)s1 ZINC000276298911 464880809 /nfs/dbraw/zinc/88/08/09/464880809.db2.gz JLSGORWMTJTLSP-LBPRGKRZSA-N 1 2 341.502 2.364 20 30 EEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@]1(C)CCCOC1 ZINC000329955026 465487323 /nfs/dbraw/zinc/48/73/23/465487323.db2.gz ORNQUVIYLFMKRM-GRDNDAEWSA-N 1 2 338.427 2.106 20 30 EEEDLO Cc1nc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cs1 ZINC000192245433 464893429 /nfs/dbraw/zinc/89/34/29/464893429.db2.gz VDMLLFHMSHPVCS-MRXNPFEDSA-N 1 2 326.425 2.214 20 30 EEEDLO C=CCC[N@@H+](C)CC(=O)c1cc(C)n([C@@H]2CCS(=O)(=O)C2)c1C ZINC000276359856 464903457 /nfs/dbraw/zinc/90/34/57/464903457.db2.gz FSEVKAHMNAEANE-OAHLLOKOSA-N 1 2 338.473 2.155 20 30 EEEDLO C=CCC[N@H+](C)CC(=O)c1cc(C)n([C@@H]2CCS(=O)(=O)C2)c1C ZINC000276359856 464903466 /nfs/dbraw/zinc/90/34/66/464903466.db2.gz FSEVKAHMNAEANE-OAHLLOKOSA-N 1 2 338.473 2.155 20 30 EEEDLO CC[C@H](CC#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000183796039 464911273 /nfs/dbraw/zinc/91/12/73/464911273.db2.gz KCCMFAOVGZQSBE-GOEBONIOSA-N 1 2 332.423 2.145 20 30 EEEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)cs1 ZINC000267489013 464935251 /nfs/dbraw/zinc/93/52/51/464935251.db2.gz ZBNNXAFSPFGPIN-GYSYKLTISA-N 1 2 338.477 2.366 20 30 EEEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+][C@@H]1CCOC2(CCCC2)C1 ZINC000329939041 465480333 /nfs/dbraw/zinc/48/03/33/465480333.db2.gz FITHXLXWRVPNPG-LSDHHAIUSA-N 1 2 332.448 2.441 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000339755972 465491385 /nfs/dbraw/zinc/49/13/85/465491385.db2.gz KIXSDXOPYHVNCH-UHFFFAOYSA-N 1 2 340.177 2.251 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000339755972 465491388 /nfs/dbraw/zinc/49/13/88/465491388.db2.gz KIXSDXOPYHVNCH-UHFFFAOYSA-N 1 2 340.177 2.251 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330069202 465523784 /nfs/dbraw/zinc/52/37/84/465523784.db2.gz GYYWZQVRGZCBMV-RKVPGOIHSA-N 1 2 335.448 2.438 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330069202 465523788 /nfs/dbraw/zinc/52/37/88/465523788.db2.gz GYYWZQVRGZCBMV-RKVPGOIHSA-N 1 2 335.448 2.438 20 30 EEEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@@]2(CCOC2)O1 ZINC000330086116 465528207 /nfs/dbraw/zinc/52/82/07/465528207.db2.gz RWAHTCQWOKTOQX-RDTXWAMCSA-N 1 2 348.399 2.273 20 30 EEEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@@]2(CCOC2)O1 ZINC000330086116 465528213 /nfs/dbraw/zinc/52/82/13/465528213.db2.gz RWAHTCQWOKTOQX-RDTXWAMCSA-N 1 2 348.399 2.273 20 30 EEEDLO CN(CCCOc1ccccc1)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352441966 465528800 /nfs/dbraw/zinc/52/88/00/465528800.db2.gz HPYWIHFWMKPUHO-UHFFFAOYSA-N 1 2 333.407 2.242 20 30 EEEDLO Cc1cc(C)cc(OCCN(C)C(=O)C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352450532 465529688 /nfs/dbraw/zinc/52/96/88/465529688.db2.gz RHAHFRSKYOFXHD-UHFFFAOYSA-N 1 2 347.434 2.468 20 30 EEEDLO COc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)cc1OC ZINC000352489753 465533318 /nfs/dbraw/zinc/53/33/18/465533318.db2.gz CKUXSFAVTXJUOW-ZDUSSCGKSA-N 1 2 349.406 2.036 20 30 EEEDLO O=C(NC1CCN(CC(F)(F)F)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000330127124 465542129 /nfs/dbraw/zinc/54/21/29/465542129.db2.gz IXCUWXIEBZYTQP-NSHDSACASA-N 1 2 330.354 2.429 20 30 EEEDLO Cc1nccc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)n1 ZINC000330129757 465542466 /nfs/dbraw/zinc/54/24/66/465542466.db2.gz ONPDEHCCOZBOAY-CYBMUJFWSA-N 1 2 326.404 2.104 20 30 EEEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCCN(c2ccccc2)CC1 ZINC000330199436 465565811 /nfs/dbraw/zinc/56/58/11/465565811.db2.gz VLAKPJZKYITKPM-INIZCTEOSA-N 1 2 339.443 2.324 20 30 EEEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCCN(c2ccccc2)CC1 ZINC000330199436 465565816 /nfs/dbraw/zinc/56/58/16/465565816.db2.gz VLAKPJZKYITKPM-INIZCTEOSA-N 1 2 339.443 2.324 20 30 EEEDLO C#CCN(CC)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000299197986 465645654 /nfs/dbraw/zinc/64/56/54/465645654.db2.gz LCLDFPNZLJHGRF-UHFFFAOYSA-N 1 2 338.411 2.183 20 30 EEEDLO N#CCC[N@H+](CCN1CCOCC1)C[C@@H]1CCOc2ccccc21 ZINC000371321208 465712235 /nfs/dbraw/zinc/71/22/35/465712235.db2.gz OTIGVZYFNSVHCH-KRWDZBQOSA-N 1 2 329.444 2.101 20 30 EEEDLO N#CCC[N@@H+](CCN1CCOCC1)C[C@@H]1CCOc2ccccc21 ZINC000371321208 465712240 /nfs/dbraw/zinc/71/22/40/465712240.db2.gz OTIGVZYFNSVHCH-KRWDZBQOSA-N 1 2 329.444 2.101 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H]1CCOc2ccccc21 ZINC000371321208 465712247 /nfs/dbraw/zinc/71/22/47/465712247.db2.gz OTIGVZYFNSVHCH-KRWDZBQOSA-N 1 2 329.444 2.101 20 30 EEEDLO C=CCc1cc(CNC(=O)CCn2cc[nH+]c2)cc(OC)c1OC ZINC000338116102 465828213 /nfs/dbraw/zinc/82/82/13/465828213.db2.gz RGFWANHSVACQQI-UHFFFAOYSA-N 1 2 329.400 2.335 20 30 EEEDLO CO[C@@H]1CC[C@@H](NC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000331020997 465900847 /nfs/dbraw/zinc/90/08/47/465900847.db2.gz XYQNYDSVDGKPAB-GHMZBOCLSA-N 1 2 334.342 2.359 20 30 EEEDLO CC#CCCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000361334914 465917541 /nfs/dbraw/zinc/91/75/41/465917541.db2.gz ITYUKYOGXCNNMX-SFHVURJKSA-N 1 2 329.444 2.081 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)nc1 ZINC000338236980 465929906 /nfs/dbraw/zinc/92/99/06/465929906.db2.gz QGBYKIVZRWKOFV-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C[C@@H](C[NH+]1CCOCC1)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000301355192 465949133 /nfs/dbraw/zinc/94/91/33/465949133.db2.gz KDOMJVHTKCTLMT-LBPRGKRZSA-N 1 2 341.371 2.147 20 30 EEEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000594023349 468464303 /nfs/dbraw/zinc/46/43/03/468464303.db2.gz QXZUBNLDQFKIMR-JTDSTZFVSA-N 1 2 341.455 2.058 20 30 EEEDLO N#CC1(CS(=O)(=O)NCCc2cn3ccccc3[nH+]2)CCCCC1 ZINC000331441027 466085991 /nfs/dbraw/zinc/08/59/91/466085991.db2.gz RPHQCNLIRIUWMU-UHFFFAOYSA-N 1 2 346.456 2.270 20 30 EEEDLO C=CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)OC)[C@H]2C(=O)OC)c1 ZINC000354034011 466333390 /nfs/dbraw/zinc/33/33/90/466333390.db2.gz OGEHFHYTPDUCOJ-IRXDYDNUSA-N 1 2 347.411 2.178 20 30 EEEDLO C=CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)OC)[C@H]2C(=O)OC)c1 ZINC000354034011 466333393 /nfs/dbraw/zinc/33/33/93/466333393.db2.gz OGEHFHYTPDUCOJ-IRXDYDNUSA-N 1 2 347.411 2.178 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)OC)[C@H]2C(=O)OC)cc1 ZINC000354034615 466333739 /nfs/dbraw/zinc/33/37/39/466333739.db2.gz SUYSVKUCCWLKBZ-SJORKVTESA-N 1 2 347.411 2.178 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)OC)[C@H]2C(=O)OC)cc1 ZINC000354034615 466333750 /nfs/dbraw/zinc/33/37/50/466333750.db2.gz SUYSVKUCCWLKBZ-SJORKVTESA-N 1 2 347.411 2.178 20 30 EEEDLO Cc1n[nH]c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1C ZINC000332310467 466501412 /nfs/dbraw/zinc/50/14/12/466501412.db2.gz SRLNBRLJRVHRFE-UHFFFAOYSA-N 1 2 337.427 2.315 20 30 EEEDLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000332732443 466558662 /nfs/dbraw/zinc/55/86/62/466558662.db2.gz WIPXZOYVTXDVIY-LIRRHRJNSA-N 1 2 329.444 2.496 20 30 EEEDLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000332732443 466558671 /nfs/dbraw/zinc/55/86/71/466558671.db2.gz WIPXZOYVTXDVIY-LIRRHRJNSA-N 1 2 329.444 2.496 20 30 EEEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000375224701 466831687 /nfs/dbraw/zinc/83/16/87/466831687.db2.gz UVHKJLXWCRVIJI-UHFFFAOYSA-N 1 2 337.370 2.156 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377122719 467034637 /nfs/dbraw/zinc/03/46/37/467034637.db2.gz JIIPGKLRIMJJEQ-HNNXBMFYSA-N 1 2 337.464 2.106 20 30 EEEDLO N#C[C@H]1CSCCN1C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425237353 467089649 /nfs/dbraw/zinc/08/96/49/467089649.db2.gz RVPWVAGZZTYVMJ-LSDHHAIUSA-N 1 2 326.425 2.399 20 30 EEEDLO COC(=O)[C@@](C)(CNc1cc(C)[nH+]cc1C#N)c1ccc(F)cc1 ZINC000425264755 467090789 /nfs/dbraw/zinc/09/07/89/467090789.db2.gz XNFXERBOFUMLJZ-SFHVURJKSA-N 1 2 327.359 2.366 20 30 EEEDLO COc1ccc(C[C@](C)(O)CNc2cc(C)[nH+]cc2C#N)cc1OC ZINC000425270078 467091438 /nfs/dbraw/zinc/09/14/38/467091438.db2.gz SPPODCMWHVNUPN-IBGZPJMESA-N 1 2 341.411 2.106 20 30 EEEDLO C=CCC(C)(C)CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000432081286 467213190 /nfs/dbraw/zinc/21/31/90/467213190.db2.gz QRQZHNFDNGEPCB-KRWDZBQOSA-N 1 2 341.521 2.096 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1ncccc1Br ZINC000414151075 467384195 /nfs/dbraw/zinc/38/41/95/467384195.db2.gz POSIGXJQAKPSJH-SNVBAGLBSA-N 1 2 330.251 2.143 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1ncccc1Br ZINC000414151075 467384201 /nfs/dbraw/zinc/38/42/01/467384201.db2.gz POSIGXJQAKPSJH-SNVBAGLBSA-N 1 2 330.251 2.143 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)s1 ZINC000408403711 467551137 /nfs/dbraw/zinc/55/11/37/467551137.db2.gz MIVVDNDNPAXHCH-UHFFFAOYSA-N 1 2 339.486 2.259 20 30 EEEDLO CCOc1ccc2c(c1)CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000441088936 467571523 /nfs/dbraw/zinc/57/15/23/467571523.db2.gz JXPYVEYQMLCZSR-LJQANCHMSA-N 1 2 329.444 2.498 20 30 EEEDLO CCOc1ccc2c(c1)CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000441088936 467571525 /nfs/dbraw/zinc/57/15/25/467571525.db2.gz JXPYVEYQMLCZSR-LJQANCHMSA-N 1 2 329.444 2.498 20 30 EEEDLO CC(C)(CC#N)CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000457507659 467639401 /nfs/dbraw/zinc/63/94/01/467639401.db2.gz PWXQGRUFADZEFU-UHFFFAOYSA-N 1 2 344.459 2.258 20 30 EEEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1nc(-c2cccc(F)c2)no1 ZINC000527127523 467654860 /nfs/dbraw/zinc/65/48/60/467654860.db2.gz NOOHWHQQQJFLPE-NSHDSACASA-N 1 2 343.362 2.089 20 30 EEEDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000496610096 467674427 /nfs/dbraw/zinc/67/44/27/467674427.db2.gz YFLOEVIXKOBBDB-UHFFFAOYSA-N 1 2 334.376 2.423 20 30 EEEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000496610096 467674432 /nfs/dbraw/zinc/67/44/32/467674432.db2.gz YFLOEVIXKOBBDB-UHFFFAOYSA-N 1 2 334.376 2.423 20 30 EEEDLO COc1ccc([C@@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)C2CC2)cn1 ZINC000528855272 467767884 /nfs/dbraw/zinc/76/78/84/467767884.db2.gz YWRANFAGGOOQID-ROUUACIJSA-N 1 2 336.395 2.229 20 30 EEEDLO C=CCOc1ccc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1OC ZINC000493294208 467880467 /nfs/dbraw/zinc/88/04/67/467880467.db2.gz VXGKKOJQCJHRBX-LHUXKHBRSA-N 1 2 343.427 2.233 20 30 EEEDLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CNc1ncc(C#N)cc1F ZINC000497236373 467898781 /nfs/dbraw/zinc/89/87/81/467898781.db2.gz MNMOCFQSZGMJIN-CYBMUJFWSA-N 1 2 349.410 2.055 20 30 EEEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CNc1ncc(C#N)cc1F ZINC000497236373 467898786 /nfs/dbraw/zinc/89/87/86/467898786.db2.gz MNMOCFQSZGMJIN-CYBMUJFWSA-N 1 2 349.410 2.055 20 30 EEEDLO N#Cc1cccc(NC(=O)C2CCN(C(=O)/C=C\c3[nH]cc[nH+]3)CC2)c1 ZINC000493681384 467963045 /nfs/dbraw/zinc/96/30/45/467963045.db2.gz GYWYXVWONHULDN-PLNGDYQASA-N 1 2 349.394 2.172 20 30 EEEDLO C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2C#N)c2[nH+]ccn21 ZINC000517072158 468070016 /nfs/dbraw/zinc/07/00/16/468070016.db2.gz JIUWIDDERQUSPY-JOYOIKCWSA-N 1 2 336.804 2.392 20 30 EEEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000548788323 468136627 /nfs/dbraw/zinc/13/66/27/468136627.db2.gz IHRCOUFTSCJQNH-FUHWJXTLSA-N 1 2 340.427 2.129 20 30 EEEDLO C=C[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1)c1ccccc1 ZINC000576029700 468157683 /nfs/dbraw/zinc/15/76/83/468157683.db2.gz XAHAXRDTJQYVNJ-IRXDYDNUSA-N 1 2 344.455 2.348 20 30 EEEDLO C=C[C@@H](CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1)c1ccccc1 ZINC000576029700 468157690 /nfs/dbraw/zinc/15/76/90/468157690.db2.gz XAHAXRDTJQYVNJ-IRXDYDNUSA-N 1 2 344.455 2.348 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCNc1nc2c(cc1C#N)COCC2 ZINC000577585723 468187458 /nfs/dbraw/zinc/18/74/58/468187458.db2.gz IVNHFWWQBXMKLB-UHFFFAOYSA-N 1 2 333.395 2.796 20 30 EEEDLO Cc1cc(C#N)cnc1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000549528126 468187768 /nfs/dbraw/zinc/18/77/68/468187768.db2.gz AQJFGXOCFUEUNR-UHFFFAOYSA-N 1 2 336.395 2.346 20 30 EEEDLO Cc1[nH+]ccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)c1Cl ZINC000589976695 468200890 /nfs/dbraw/zinc/20/08/90/468200890.db2.gz FFHRJEMDRYTXRT-UHFFFAOYSA-N 1 2 325.752 2.277 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1C#N ZINC000594422325 468580973 /nfs/dbraw/zinc/58/09/73/468580973.db2.gz XQSAEXRWOSZMNO-KBPBESRZSA-N 1 2 346.456 2.127 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1C#N ZINC000594422325 468580975 /nfs/dbraw/zinc/58/09/75/468580975.db2.gz XQSAEXRWOSZMNO-KBPBESRZSA-N 1 2 346.456 2.127 20 30 EEEDLO Cc1nc(NCc2cccc(C(=O)NCC3(C#N)CCC3)c2)cc[nH+]1 ZINC000557078833 468610695 /nfs/dbraw/zinc/61/06/95/468610695.db2.gz NXLAFRUCWXDFIX-UHFFFAOYSA-N 1 2 335.411 2.821 20 30 EEEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000571329920 468773228 /nfs/dbraw/zinc/77/32/28/468773228.db2.gz CPZBKWSZBFWJLC-HNNXBMFYSA-N 1 2 326.400 2.381 20 30 EEEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000571462937 468791507 /nfs/dbraw/zinc/79/15/07/468791507.db2.gz YZYMZDZMKOPFSE-GNFNDJEDSA-N 1 2 332.448 2.063 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cc(F)c(Br)c(F)c1 ZINC000584227654 468824474 /nfs/dbraw/zinc/82/44/74/468824474.db2.gz AKMPKZYEMHHREV-JTQLQIEISA-N 1 2 348.191 2.346 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cc(F)c(Br)c(F)c1 ZINC000584227654 468824478 /nfs/dbraw/zinc/82/44/78/468824478.db2.gz AKMPKZYEMHHREV-JTQLQIEISA-N 1 2 348.191 2.346 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc(Br)c(F)c1 ZINC000584414450 468866887 /nfs/dbraw/zinc/86/68/87/468866887.db2.gz UVELMQIDRDQWLG-CQSZACIVSA-N 1 2 342.212 2.091 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC000593154956 468889770 /nfs/dbraw/zinc/88/97/70/468889770.db2.gz QZMCHLYIFGPPHT-INIZCTEOSA-N 1 2 336.823 2.097 20 30 EEEDLO C[C@H](NC[C@@H](C#N)CCC#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562189220 468922019 /nfs/dbraw/zinc/92/20/19/468922019.db2.gz PSTXVXCTDZPVLC-QXAKKESOSA-N 1 2 326.444 2.309 20 30 EEEDLO C[C@H](NC[C@@H](C#N)CCC#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562189220 468922023 /nfs/dbraw/zinc/92/20/23/468922023.db2.gz PSTXVXCTDZPVLC-QXAKKESOSA-N 1 2 326.444 2.309 20 30 EEEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000562699181 469040785 /nfs/dbraw/zinc/04/07/85/469040785.db2.gz VVPJBRNFAQNCQD-SPYBWZPUSA-N 1 2 340.427 2.211 20 30 EEEDLO C[C@@H]1[C@H](C)[N@H+](Cc2ccc(C#N)cn2)CCN1Cc1ccc(C#N)cn1 ZINC000595888237 469064818 /nfs/dbraw/zinc/06/48/18/469064818.db2.gz WQOMXLPOHMWLEN-IYBDPMFKSA-N 1 2 346.438 2.315 20 30 EEEDLO C[C@@H]1[C@H](C)[N@@H+](Cc2ccc(C#N)cn2)CCN1Cc1ccc(C#N)cn1 ZINC000595888237 469064822 /nfs/dbraw/zinc/06/48/22/469064822.db2.gz WQOMXLPOHMWLEN-IYBDPMFKSA-N 1 2 346.438 2.315 20 30 EEEDLO C[C@@H]1[C@H](C)N(Cc2ccc(C#N)cn2)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000595888237 469064824 /nfs/dbraw/zinc/06/48/24/469064824.db2.gz WQOMXLPOHMWLEN-IYBDPMFKSA-N 1 2 346.438 2.315 20 30 EEEDLO C[C@@H]1[C@H](C)N(Cc2ccc(C#N)cn2)CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000595888237 469064827 /nfs/dbraw/zinc/06/48/27/469064827.db2.gz WQOMXLPOHMWLEN-IYBDPMFKSA-N 1 2 346.438 2.315 20 30 EEEDLO C[N@@H+]1CCN(C(=O)c2cc(O)cc(C#N)c2)C[C@H]1Cc1ccccc1 ZINC000586841289 469077930 /nfs/dbraw/zinc/07/79/30/469077930.db2.gz QQJCTGPAJWWIDH-GOSISDBHSA-N 1 2 335.407 2.263 20 30 EEEDLO C[N@H+]1CCN(C(=O)c2cc(O)cc(C#N)c2)C[C@H]1Cc1ccccc1 ZINC000586841289 469077937 /nfs/dbraw/zinc/07/79/37/469077937.db2.gz QQJCTGPAJWWIDH-GOSISDBHSA-N 1 2 335.407 2.263 20 30 EEEDLO N#CCCCCCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000588251623 469133655 /nfs/dbraw/zinc/13/36/55/469133655.db2.gz MTGIXLGETAGOBX-SFHVURJKSA-N 1 2 329.444 2.478 20 30 EEEDLO N#CCCCCCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000588251623 469133662 /nfs/dbraw/zinc/13/36/62/469133662.db2.gz MTGIXLGETAGOBX-SFHVURJKSA-N 1 2 329.444 2.478 20 30 EEEDLO CCc1nc(C#N)cc(Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)n1 ZINC000596080344 469145082 /nfs/dbraw/zinc/14/50/82/469145082.db2.gz IFCJQKYQWQYRCY-CHWSQXEVSA-N 1 2 338.415 2.663 20 30 EEEDLO Cc1n[nH]cc1C[N@@H+](C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000602945120 469182375 /nfs/dbraw/zinc/18/23/75/469182375.db2.gz WYNGZBAENABBMS-DBQDNQAGSA-N 1 2 331.464 2.469 20 30 EEEDLO Cc1n[nH]cc1C[N@H+](C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000602945120 469182383 /nfs/dbraw/zinc/18/23/83/469182383.db2.gz WYNGZBAENABBMS-DBQDNQAGSA-N 1 2 331.464 2.469 20 30 EEEDLO C=CCOc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)cc1 ZINC000616870003 469530088 /nfs/dbraw/zinc/53/00/88/469530088.db2.gz KIKXXTNMJGIGCL-MRXNPFEDSA-N 1 2 343.427 2.475 20 30 EEEDLO C=C[C@@H]([NH2+]CC1(c2ccc(OCC)cc2)CCOCC1)C(=O)OC ZINC000619701064 469666068 /nfs/dbraw/zinc/66/60/68/469666068.db2.gz WLPHZYVJPBWKKH-QGZVFWFLSA-N 1 2 333.428 2.451 20 30 EEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000619719387 469669832 /nfs/dbraw/zinc/66/98/32/469669832.db2.gz WMXMCMVTMYWRRL-OAHLLOKOSA-N 1 2 326.400 2.379 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](CCOCCO)C(C)C)c1C#N ZINC000619815738 469685191 /nfs/dbraw/zinc/68/51/91/469685191.db2.gz PKKPRTQSSKVEMN-UHFFFAOYSA-N 1 2 342.443 2.272 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@H+](CCOCCO)C(C)C)c1C#N ZINC000619815738 469685193 /nfs/dbraw/zinc/68/51/93/469685193.db2.gz PKKPRTQSSKVEMN-UHFFFAOYSA-N 1 2 342.443 2.272 20 30 EEEDLO N#C[C@@H](c1ccccc1)N1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000609161617 469898544 /nfs/dbraw/zinc/89/85/44/469898544.db2.gz QVLUGZZSQWOZRX-SFHVURJKSA-N 1 2 337.427 2.072 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N(C)c2ccccc2)CC1 ZINC000609537673 469936981 /nfs/dbraw/zinc/93/69/81/469936981.db2.gz BWRQBOZKUNBUHD-AEFFLSMTSA-N 1 2 328.460 2.204 20 30 EEEDLO CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609538474 469937317 /nfs/dbraw/zinc/93/73/17/469937317.db2.gz STXFNINITLSZBJ-ROUUACIJSA-N 1 2 336.524 2.483 20 30 EEEDLO CC(C)([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)c1nccs1 ZINC000625252141 470105586 /nfs/dbraw/zinc/10/55/86/470105586.db2.gz HWBOVMFAKOMZQT-UHFFFAOYSA-N 1 2 339.420 2.267 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633898132 470627079 /nfs/dbraw/zinc/62/70/79/470627079.db2.gz UILYJFKEUZFJOK-LJQANCHMSA-N 1 2 332.444 2.265 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N(CC)c2ccccc2)nn1 ZINC000640824327 471048211 /nfs/dbraw/zinc/04/82/11/471048211.db2.gz GHAOCPYIMBCALX-OAHLLOKOSA-N 1 2 325.416 2.005 20 30 EEEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC000669355919 471466925 /nfs/dbraw/zinc/46/69/25/471466925.db2.gz RPRZHQTZVJFBSO-NXOAAHMSSA-N 1 2 345.491 2.482 20 30 EEEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC000669355919 471466928 /nfs/dbraw/zinc/46/69/28/471466928.db2.gz RPRZHQTZVJFBSO-NXOAAHMSSA-N 1 2 345.491 2.482 20 30 EEEDLO C=CCCn1cc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)nn1 ZINC000653484744 471635638 /nfs/dbraw/zinc/63/56/38/471635638.db2.gz BBXMVWWVBYTKOR-UHFFFAOYSA-N 1 2 339.443 2.249 20 30 EEEDLO CN1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCC1=O ZINC000661810068 471891368 /nfs/dbraw/zinc/89/13/68/471891368.db2.gz ZTZMXBDBSKBFQT-UHFFFAOYSA-N 1 2 326.318 2.101 20 30 EEEDLO CN1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCC1=O ZINC000661810068 471891371 /nfs/dbraw/zinc/89/13/71/471891371.db2.gz ZTZMXBDBSKBFQT-UHFFFAOYSA-N 1 2 326.318 2.101 20 30 EEEDLO C=CCCNC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000665943552 472247264 /nfs/dbraw/zinc/24/72/64/472247264.db2.gz VVSRUWKPUJGQSF-HNNXBMFYSA-N 1 2 330.432 2.421 20 30 EEEDLO Cc1cc(NC(=O)Cn2cnc(C#N)n2)ccc1Oc1cc[nH+]cc1 ZINC000192593458 533954510 /nfs/dbraw/zinc/95/45/10/533954510.db2.gz ZACKWSVQPCBRJK-UHFFFAOYSA-N 1 2 334.339 2.284 20 30 EEEDLO Cc1cc(C)c(NC(=O)C(=O)N(CCC#N)Cc2ccco2)c(C)[nH+]1 ZINC000411387666 534070074 /nfs/dbraw/zinc/07/00/74/534070074.db2.gz MUZCWJWFMRDXTN-UHFFFAOYSA-N 1 2 340.383 2.481 20 30 EEEDLO Cc1csc(CO[NH+]=C(N)c2ccc(-n3nc(C)cc3C)nc2)n1 ZINC000088519907 534819094 /nfs/dbraw/zinc/81/90/94/534819094.db2.gz UNODLYLHVZNFMC-UHFFFAOYSA-N 1 2 342.428 2.486 20 30 EEEDLO C=CCCS(=O)(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000178332255 527409047 /nfs/dbraw/zinc/40/90/47/527409047.db2.gz GJNZULBHXAVNAE-OAHLLOKOSA-N 1 2 338.473 2.280 20 30 EEEDLO C=CCNC(=O)COC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000731916624 577134834 /nfs/dbraw/zinc/13/48/34/577134834.db2.gz QLEITJRSVGOIRW-INIZCTEOSA-N 1 2 344.455 2.175 20 30 EEEDLO COC(=O)c1ccc2c(c1)C(=O)N(C[N@H+](C)Cc1ccc(C#N)cc1)C2 ZINC000776757045 577467156 /nfs/dbraw/zinc/46/71/56/577467156.db2.gz GLBHKMFLCZSDOR-UHFFFAOYSA-N 1 2 349.390 2.390 20 30 EEEDLO COC(=O)c1ccc2c(c1)C(=O)N(C[N@@H+](C)Cc1ccc(C#N)cc1)C2 ZINC000776757045 577467157 /nfs/dbraw/zinc/46/71/57/577467157.db2.gz GLBHKMFLCZSDOR-UHFFFAOYSA-N 1 2 349.390 2.390 20 30 EEEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)N3CCCC3)CC2)cc1 ZINC000768225562 577552350 /nfs/dbraw/zinc/55/23/50/577552350.db2.gz IMVOMHYFOVAKDI-MRXNPFEDSA-N 1 2 342.443 2.311 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000769963010 577588043 /nfs/dbraw/zinc/58/80/43/577588043.db2.gz OTJJVBNDHKIFLY-LLVKDONJSA-N 1 2 334.441 2.306 20 30 EEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000769963010 577588044 /nfs/dbraw/zinc/58/80/44/577588044.db2.gz OTJJVBNDHKIFLY-LLVKDONJSA-N 1 2 334.441 2.306 20 30 EEEDLO N#Cc1cccn(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c1=O ZINC000758203075 577618385 /nfs/dbraw/zinc/61/83/85/577618385.db2.gz JUBFBLDNUJNFNY-GOSISDBHSA-N 1 2 341.386 2.498 20 30 EEEDLO N#Cc1cccn(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c1=O ZINC000758203075 577618386 /nfs/dbraw/zinc/61/83/86/577618386.db2.gz JUBFBLDNUJNFNY-GOSISDBHSA-N 1 2 341.386 2.498 20 30 EEEDLO COc1ccc(C=NNc2ccc(-n3cc[nH+]c3)nn2)cc1[N+](=O)[O-] ZINC000761834283 577689809 /nfs/dbraw/zinc/68/98/09/577689809.db2.gz HNFVPZJJXJRHKA-UHFFFAOYSA-N 1 2 339.315 2.025 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000745097509 577908983 /nfs/dbraw/zinc/90/89/83/577908983.db2.gz FDEMYLZAPWSXJB-YJBOKZPZSA-N 1 2 345.443 2.231 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000745097509 577908984 /nfs/dbraw/zinc/90/89/84/577908984.db2.gz FDEMYLZAPWSXJB-YJBOKZPZSA-N 1 2 345.443 2.231 20 30 EEEDLO CC(=NNc1nc(=O)cc(C)[nH]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735609788 578161373 /nfs/dbraw/zinc/16/13/73/578161373.db2.gz ZXTCPWQUNBVJPC-INIZCTEOSA-N 1 2 341.415 2.179 20 30 EEEDLO CC(=NNc1nc(=O)cc(C)[nH]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735609788 578161374 /nfs/dbraw/zinc/16/13/74/578161374.db2.gz ZXTCPWQUNBVJPC-INIZCTEOSA-N 1 2 341.415 2.179 20 30 EEEDLO C[C@H](NC(=O)C1CCOCC1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969195858 674682966 /nfs/dbraw/zinc/68/29/66/674682966.db2.gz MEVTVVWGLKQAEF-ZDUSSCGKSA-N 1 2 345.418 2.060 20 30 EEEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](Cc2ccc(F)cc2F)C1 ZINC000969514814 675081711 /nfs/dbraw/zinc/08/17/11/675081711.db2.gz SVGIFEGLDHBOGP-LLVKDONJSA-N 1 2 344.365 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C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001024515542 680018513 /nfs/dbraw/zinc/01/85/13/680018513.db2.gz UYWBYFNECLCHOJ-LSDHHAIUSA-N 1 2 336.867 2.169 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2cnccc2OC)C(C)(C)C1 ZINC000974757898 685386957 /nfs/dbraw/zinc/38/69/57/685386957.db2.gz SZYDBHUIWBRIFV-HNNXBMFYSA-N 1 2 337.851 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2cnccc2OC)C(C)(C)C1 ZINC000974757898 685386962 /nfs/dbraw/zinc/38/69/62/685386962.db2.gz SZYDBHUIWBRIFV-HNNXBMFYSA-N 1 2 337.851 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3cncn3C2)C(C)(C)C1 ZINC000974752026 685400865 /nfs/dbraw/zinc/40/08/65/685400865.db2.gz NMIDUVKWKWTFRK-HIFRSBDPSA-N 1 2 336.867 2.025 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3cncn3C2)C(C)(C)C1 ZINC000974752026 685400869 /nfs/dbraw/zinc/40/08/69/685400869.db2.gz NMIDUVKWKWTFRK-HIFRSBDPSA-N 1 2 336.867 2.025 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1CNC(=O)c1csnn1 ZINC001024577328 681226348 /nfs/dbraw/zinc/22/63/48/681226348.db2.gz ATMQVAYQXKWLJG-HNNXBMFYSA-N 1 2 341.440 2.194 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CNC(=O)c1csnn1 ZINC001024577328 681226350 /nfs/dbraw/zinc/22/63/50/681226350.db2.gz ATMQVAYQXKWLJG-HNNXBMFYSA-N 1 2 341.440 2.194 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn2cccnc12 ZINC001024589903 681249719 /nfs/dbraw/zinc/24/97/19/681249719.db2.gz OUNZAYCSBCJPMF-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cnn2cccnc12 ZINC001024589903 681249723 /nfs/dbraw/zinc/24/97/23/681249723.db2.gz OUNZAYCSBCJPMF-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO Cc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)c1C ZINC001028452284 681450528 /nfs/dbraw/zinc/45/05/28/681450528.db2.gz IIIRZEGVZXDJPD-GOSISDBHSA-N 1 2 336.439 2.130 20 30 EEEDLO Cc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1C ZINC001028452284 681450531 /nfs/dbraw/zinc/45/05/31/681450531.db2.gz IIIRZEGVZXDJPD-GOSISDBHSA-N 1 2 336.439 2.130 20 30 EEEDLO CCCCc1noc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H](C)C#N)n1 ZINC001024902391 681562764 /nfs/dbraw/zinc/56/27/64/681562764.db2.gz PZOQJKZQFBUNST-UONOGXRCSA-N 1 2 333.436 2.043 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@H]2CCN(c3ccc(C#N)nc3)C2)c(C)[nH+]1 ZINC001058614937 682073104 /nfs/dbraw/zinc/07/31/04/682073104.db2.gz ZMPWIRMVEYPUFP-INIZCTEOSA-N 1 2 335.411 2.282 20 30 EEEDLO Cc1cc(N[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)nc(C2CC2)[nH+]1 ZINC001059176967 682994360 /nfs/dbraw/zinc/99/43/60/682994360.db2.gz FOBWDQNQSDVXSQ-HDJSIYSDSA-N 1 2 336.399 2.235 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccnc3[nH]c(C)nc32)C(C)(C)C1 ZINC000974858037 685644957 /nfs/dbraw/zinc/64/49/57/685644957.db2.gz XPTXCDCNAOKVTJ-CYBMUJFWSA-N 1 2 347.850 2.459 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccnc3[nH]c(C)nc32)C(C)(C)C1 ZINC000974858037 685644959 /nfs/dbraw/zinc/64/49/59/685644959.db2.gz XPTXCDCNAOKVTJ-CYBMUJFWSA-N 1 2 347.850 2.459 20 30 EEEDLO O=C(c1ccncc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029187725 683397534 /nfs/dbraw/zinc/39/75/34/683397534.db2.gz JFNXUCKTAOSXNT-BGYRXZFFSA-N 1 2 331.419 2.422 20 30 EEEDLO O=C(c1ccncc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029187725 683397542 /nfs/dbraw/zinc/39/75/42/683397542.db2.gz JFNXUCKTAOSXNT-BGYRXZFFSA-N 1 2 331.419 2.422 20 30 EEEDLO CCO[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029219806 683563094 /nfs/dbraw/zinc/56/30/94/683563094.db2.gz IQQCTSRDOMDGLR-DLTLXFJOSA-N 1 2 345.468 2.220 20 30 EEEDLO CCO[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029219806 683563097 /nfs/dbraw/zinc/56/30/97/683563097.db2.gz IQQCTSRDOMDGLR-DLTLXFJOSA-N 1 2 345.468 2.220 20 30 EEEDLO C=CCn1cc(C(=O)NC2C[NH+](Cc3cccc4ccccc43)C2)nn1 ZINC001031069859 683660545 /nfs/dbraw/zinc/66/05/45/683660545.db2.gz CJELLTAFAXCMQS-UHFFFAOYSA-N 1 2 347.422 2.232 20 30 EEEDLO C=CCCn1cc(C(=O)NC2C[NH+](Cc3cc(C)cc(C)c3)C2)nn1 ZINC001031074979 683669509 /nfs/dbraw/zinc/66/95/09/683669509.db2.gz ACTAYGSTERAMPP-UHFFFAOYSA-N 1 2 339.443 2.085 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](CCOc2cccc(C)c2)C1 ZINC001031088768 683712729 /nfs/dbraw/zinc/71/27/29/683712729.db2.gz KKRGRGARYXVQQS-OALUTQOASA-N 1 2 344.455 2.155 20 30 EEEDLO Cc1cnc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)[C@@H]2C)cn1 ZINC000993010661 683744165 /nfs/dbraw/zinc/74/41/65/683744165.db2.gz DSAPITAMRQAKEH-CRAIPNDOSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1cnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)cn1 ZINC000993010661 683744168 /nfs/dbraw/zinc/74/41/68/683744168.db2.gz DSAPITAMRQAKEH-CRAIPNDOSA-N 1 2 349.438 2.440 20 30 EEEDLO O=C([C@@H]1CC1(F)F)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029298452 683906504 /nfs/dbraw/zinc/90/65/04/683906504.db2.gz IVIFYFJBZXSADV-BBWFWOEESA-N 1 2 330.378 2.369 20 30 EEEDLO O=C([C@@H]1CC1(F)F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029298452 683906506 /nfs/dbraw/zinc/90/65/06/683906506.db2.gz IVIFYFJBZXSADV-BBWFWOEESA-N 1 2 330.378 2.369 20 30 EEEDLO O=C1[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCN1O ZINC000895158409 684148171 /nfs/dbraw/zinc/14/81/71/684148171.db2.gz ZVUCEBOCVPKSIA-JTQLQIEISA-N 1 2 333.266 2.083 20 30 EEEDLO C=C(Br)C[NH2+]C1CCC(NC(=O)c2[nH]ncc2F)CC1 ZINC001026555581 684739522 /nfs/dbraw/zinc/73/95/22/684739522.db2.gz DQMCTBAQZZVNAE-UHFFFAOYSA-N 1 2 345.216 2.088 20 30 EEEDLO CSc1ccc(NC(=O)CO[NH+]=C(N)Cc2cccnc2)cc1 ZINC000092917351 685010929 /nfs/dbraw/zinc/01/09/29/685010929.db2.gz FKXSUUMUCJBTEZ-UHFFFAOYSA-N 1 2 330.413 2.274 20 30 EEEDLO C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)CCOC1 ZINC001029529800 685734501 /nfs/dbraw/zinc/73/45/01/685734501.db2.gz MMJPWMMYBSLGRW-SVFBPWRDSA-N 1 2 338.451 2.140 20 30 EEEDLO C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)CCOC1 ZINC001029529800 685734506 /nfs/dbraw/zinc/73/45/06/685734506.db2.gz MMJPWMMYBSLGRW-SVFBPWRDSA-N 1 2 338.451 2.140 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cncs2)cn1 ZINC001029558860 686012451 /nfs/dbraw/zinc/01/24/51/686012451.db2.gz YOTFSPRKYHPOHF-IYBDPMFKSA-N 1 2 338.436 2.008 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cncs2)cn1 ZINC001029558860 686012458 /nfs/dbraw/zinc/01/24/58/686012458.db2.gz YOTFSPRKYHPOHF-IYBDPMFKSA-N 1 2 338.436 2.008 20 30 EEEDLO CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)c1n[nH]cc1F ZINC000975024140 686036179 /nfs/dbraw/zinc/03/61/79/686036179.db2.gz ZHBIOTRPRWTFHF-INIZCTEOSA-N 1 2 340.402 2.041 20 30 EEEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)c1n[nH]cc1F ZINC000975024140 686036180 /nfs/dbraw/zinc/03/61/80/686036180.db2.gz ZHBIOTRPRWTFHF-INIZCTEOSA-N 1 2 340.402 2.041 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2ncc(C)s2)CC1(C)C ZINC000975062432 686090944 /nfs/dbraw/zinc/09/09/44/686090944.db2.gz HSRWGQZYQSJSHD-ILXRZTDVSA-N 1 2 349.500 2.369 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2ncc(C)s2)CC1(C)C ZINC000975062432 686090947 /nfs/dbraw/zinc/09/09/47/686090947.db2.gz HSRWGQZYQSJSHD-ILXRZTDVSA-N 1 2 349.500 2.369 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC([N@H+](C)Cc3csnn3)CC2)cc1 ZINC000985569016 687167195 /nfs/dbraw/zinc/16/71/95/687167195.db2.gz LKVVHPRJONIXEM-UHFFFAOYSA-N 1 2 340.452 2.256 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC([N@@H+](C)Cc3csnn3)CC2)cc1 ZINC000985569016 687167199 /nfs/dbraw/zinc/16/71/99/687167199.db2.gz LKVVHPRJONIXEM-UHFFFAOYSA-N 1 2 340.452 2.256 20 30 EEEDLO C[C@@H](c1nc(C2CC2)no1)[N@H+](C)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027402034 687933588 /nfs/dbraw/zinc/93/35/88/687933588.db2.gz LBIGJINQUDIESJ-XJKSGUPXSA-N 1 2 342.443 2.344 20 30 EEEDLO C[C@@H](c1nc(C2CC2)no1)[N@@H+](C)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027402034 687933596 /nfs/dbraw/zinc/93/35/96/687933596.db2.gz LBIGJINQUDIESJ-XJKSGUPXSA-N 1 2 342.443 2.344 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCCCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC000987154279 689435345 /nfs/dbraw/zinc/43/53/45/689435345.db2.gz SMJCCNLSMXUNNO-HNNXBMFYSA-N 1 2 344.459 2.196 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)on1 ZINC001027750822 694328639 /nfs/dbraw/zinc/32/86/39/694328639.db2.gz XJCIZTNGDAYFHO-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)on1 ZINC001027750822 694328646 /nfs/dbraw/zinc/32/86/46/694328646.db2.gz XJCIZTNGDAYFHO-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCOC1 ZINC001027779299 694445915 /nfs/dbraw/zinc/44/59/15/694445915.db2.gz VVCBVCDKHAJXAH-MAUKXSAKSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCOC1 ZINC001027779299 694445919 /nfs/dbraw/zinc/44/59/19/694445919.db2.gz VVCBVCDKHAJXAH-MAUKXSAKSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 ZINC000989439082 691762283 /nfs/dbraw/zinc/76/22/83/691762283.db2.gz KZSKKBQHIRQRFI-QUCCMNQESA-N 1 2 339.439 2.019 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 ZINC000989439082 691762286 /nfs/dbraw/zinc/76/22/86/691762286.db2.gz KZSKKBQHIRQRFI-QUCCMNQESA-N 1 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C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(COC)n2)C1 ZINC001033699705 1195091768 /nfs/dbraw/zinc/09/17/68/1195091768.db2.gz KCYKQMQEFYYOQS-LLVKDONJSA-N 1 2 329.853 2.188 20 30 EEEDLO CCN(C(=O)c1cnnc(C)c1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033806765 1195289368 /nfs/dbraw/zinc/28/93/68/1195289368.db2.gz JBEPHEYEFYCXFQ-IBGZPJMESA-N 1 2 349.438 2.393 20 30 EEEDLO CCN(C(=O)c1cnnc(C)c1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033806765 1195289373 /nfs/dbraw/zinc/28/93/73/1195289373.db2.gz JBEPHEYEFYCXFQ-IBGZPJMESA-N 1 2 349.438 2.393 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001033802038 1195303765 /nfs/dbraw/zinc/30/37/65/1195303765.db2.gz PAPQQWXDNKEQEK-INIZCTEOSA-N 1 2 343.456 2.388 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001033802038 1195303768 /nfs/dbraw/zinc/30/37/68/1195303768.db2.gz PAPQQWXDNKEQEK-INIZCTEOSA-N 1 2 343.456 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccnc3[nH]cnc32)C1 ZINC001033850948 1195386657 /nfs/dbraw/zinc/38/66/57/1195386657.db2.gz WXVFMIUJLSUSSB-LBPRGKRZSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccnc3[nH]cnc32)C1 ZINC001033850948 1195386662 /nfs/dbraw/zinc/38/66/62/1195386662.db2.gz WXVFMIUJLSUSSB-LBPRGKRZSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001033877940 1195415999 /nfs/dbraw/zinc/41/59/99/1195415999.db2.gz FEWGLJXRYJPAFK-HUUCEWRRSA-N 1 2 336.867 2.121 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001033877940 1195416004 /nfs/dbraw/zinc/41/60/04/1195416004.db2.gz FEWGLJXRYJPAFK-HUUCEWRRSA-N 1 2 336.867 2.121 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)C2CC(OC)C2)C1 ZINC001033871082 1195425280 /nfs/dbraw/zinc/42/52/80/1195425280.db2.gz WSXANWFALRKRTF-MOKVOYLWSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CC(OC)C2)C1 ZINC001033871082 1195425282 /nfs/dbraw/zinc/42/52/82/1195425282.db2.gz WSXANWFALRKRTF-MOKVOYLWSA-N 1 2 345.281 2.243 20 30 EEEDLO C#Cc1cncc(C(=O)N(CC)[C@@H]2CC[N@@H+]([C@@H](C)c3ncccn3)C2)c1 ZINC001033953982 1195548445 /nfs/dbraw/zinc/54/84/45/1195548445.db2.gz APOJQLJGLKFLKC-MAUKXSAKSA-N 1 2 349.438 2.151 20 30 EEEDLO C#Cc1cncc(C(=O)N(CC)[C@@H]2CC[N@H+]([C@@H](C)c3ncccn3)C2)c1 ZINC001033953982 1195548449 /nfs/dbraw/zinc/54/84/49/1195548449.db2.gz APOJQLJGLKFLKC-MAUKXSAKSA-N 1 2 349.438 2.151 20 30 EEEDLO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cnc([C@@H]3CCCO3)s2)C1 ZINC001033980222 1195599518 /nfs/dbraw/zinc/59/95/18/1195599518.db2.gz QPRYLNYUJPKKGC-KGLIPLIRSA-N 1 2 333.457 2.164 20 30 EEEDLO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnc([C@@H]3CCCO3)s2)C1 ZINC001033980222 1195599521 /nfs/dbraw/zinc/59/95/21/1195599521.db2.gz QPRYLNYUJPKKGC-KGLIPLIRSA-N 1 2 333.457 2.164 20 30 EEEDLO C#Cc1ccc(C(=O)N(CC)[C@H]2CC[N@H+](Cc3nocc3C)C2)cn1 ZINC001034023200 1195677850 /nfs/dbraw/zinc/67/78/50/1195677850.db2.gz OKWHKRRWXRLJHA-KRWDZBQOSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3nocc3C)C2)cn1 ZINC001034023200 1195677851 /nfs/dbraw/zinc/67/78/51/1195677851.db2.gz OKWHKRRWXRLJHA-KRWDZBQOSA-N 1 2 338.411 2.096 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2c(CC)noc2CC)C1 ZINC001014760180 1224303057 /nfs/dbraw/zinc/30/30/57/1224303057.db2.gz LKHICYCEJQJPIL-GFCCVEGCSA-N 1 2 325.840 2.285 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2c(CC)noc2CC)C1 ZINC001014760180 1224303063 /nfs/dbraw/zinc/30/30/63/1224303063.db2.gz LKHICYCEJQJPIL-GFCCVEGCSA-N 1 2 325.840 2.285 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001011509538 1224302432 /nfs/dbraw/zinc/30/24/32/1224302432.db2.gz PDGZDXROVALVLG-IBGZPJMESA-N 1 2 340.427 2.221 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC001034170684 1195891591 /nfs/dbraw/zinc/89/15/91/1195891591.db2.gz YFWCPVTYCXUOBE-KBPBESRZSA-N 1 2 345.281 2.435 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC001034170684 1195891597 /nfs/dbraw/zinc/89/15/97/1195891597.db2.gz YFWCPVTYCXUOBE-KBPBESRZSA-N 1 2 345.281 2.435 20 30 EEEDLO C[C@@]1(CNC(=O)CCCF)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108125154 1196106569 /nfs/dbraw/zinc/10/65/69/1196106569.db2.gz ZBLYIBKAHILWAO-GOSISDBHSA-N 1 2 333.407 2.015 20 30 EEEDLO C[C@@]1(CNC(=O)CCCF)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108125154 1196106571 /nfs/dbraw/zinc/10/65/71/1196106571.db2.gz ZBLYIBKAHILWAO-GOSISDBHSA-N 1 2 333.407 2.015 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnc(OCC)cn2)C1 ZINC001034554355 1196386514 /nfs/dbraw/zinc/38/65/14/1196386514.db2.gz USOAHTJZXYYVFQ-ZDUSSCGKSA-N 1 2 338.839 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnc(OCC)cn2)C1 ZINC001034554355 1196386518 /nfs/dbraw/zinc/38/65/18/1196386518.db2.gz USOAHTJZXYYVFQ-ZDUSSCGKSA-N 1 2 338.839 2.212 20 30 EEEDLO C#Cc1ccc(C(=O)NCc2ccc(C[NH2+]Cc3ccon3)cc2)cn1 ZINC001034827323 1196789984 /nfs/dbraw/zinc/78/99/84/1196789984.db2.gz BHNGXZJZNZWVMT-UHFFFAOYSA-N 1 2 346.390 2.271 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C)no1 ZINC001034946532 1196906794 /nfs/dbraw/zinc/90/67/94/1196906794.db2.gz DMQSMHULDYOPJK-GFCCVEGCSA-N 1 2 326.828 2.237 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC)CC1 ZINC000119664017 1197897278 /nfs/dbraw/zinc/89/72/78/1197897278.db2.gz DSUAKHKOGNHDQI-UHFFFAOYSA-N 1 2 347.440 2.488 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccnn2[C@H]2CCCCO2)C1=O ZINC001273394035 1198479270 /nfs/dbraw/zinc/47/92/70/1198479270.db2.gz FPZNMERELPHTPV-IEBWSBKVSA-N 1 2 344.459 2.335 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2ccnn2[C@H]2CCCCO2)C1=O ZINC001273394035 1198479271 /nfs/dbraw/zinc/47/92/71/1198479271.db2.gz FPZNMERELPHTPV-IEBWSBKVSA-N 1 2 344.459 2.335 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)CC(C)(C)O)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001132009249 1199200957 /nfs/dbraw/zinc/20/09/57/1199200957.db2.gz IHHCETGOEZIJTQ-DYVFJYSZSA-N 1 2 347.434 2.327 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)CC(C)(C)O)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001132009249 1199200961 /nfs/dbraw/zinc/20/09/61/1199200961.db2.gz IHHCETGOEZIJTQ-DYVFJYSZSA-N 1 2 347.434 2.327 20 30 EEEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000875409464 1199240554 /nfs/dbraw/zinc/24/05/54/1199240554.db2.gz ZRXYSXYMFGGNDB-ROUUACIJSA-N 1 2 344.459 2.441 20 30 EEEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000875409464 1199240558 /nfs/dbraw/zinc/24/05/58/1199240558.db2.gz ZRXYSXYMFGGNDB-ROUUACIJSA-N 1 2 344.459 2.441 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3cc(OC)no3)C2)CCC1 ZINC001132101968 1199295060 /nfs/dbraw/zinc/29/50/60/1199295060.db2.gz PYLHHXLVYOUOCJ-GJZGRUSLSA-N 1 2 345.443 2.346 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3cc(OC)no3)C2)CCC1 ZINC001132101968 1199295065 /nfs/dbraw/zinc/29/50/65/1199295065.db2.gz PYLHHXLVYOUOCJ-GJZGRUSLSA-N 1 2 345.443 2.346 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001132234946 1199453862 /nfs/dbraw/zinc/45/38/62/1199453862.db2.gz HLIGEZHIVFDGLQ-WBVHZDCISA-N 1 2 330.476 2.391 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001132234946 1199453867 /nfs/dbraw/zinc/45/38/67/1199453867.db2.gz HLIGEZHIVFDGLQ-WBVHZDCISA-N 1 2 330.476 2.391 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCNC(=O)C2CCC2)CC[C@@H]1C ZINC001132355078 1199598242 /nfs/dbraw/zinc/59/82/42/1199598242.db2.gz TTXSAWBFBKUNLP-ZFWWWQNUSA-N 1 2 341.883 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCNC(=O)C2CCC2)CC[C@@H]1C ZINC001132355078 1199598248 /nfs/dbraw/zinc/59/82/48/1199598248.db2.gz TTXSAWBFBKUNLP-ZFWWWQNUSA-N 1 2 341.883 2.014 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2ccccc2Cl)CC[C@@H]1C ZINC001132434201 1199703596 /nfs/dbraw/zinc/70/35/96/1199703596.db2.gz UZZWQWFWSKPVPT-UONOGXRCSA-N 1 2 349.862 2.225 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2ccccc2Cl)CC[C@@H]1C ZINC001132434201 1199703597 /nfs/dbraw/zinc/70/35/97/1199703597.db2.gz UZZWQWFWSKPVPT-UONOGXRCSA-N 1 2 349.862 2.225 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)CCCCC)CC[C@H]1C ZINC001132503709 1199787619 /nfs/dbraw/zinc/78/76/19/1199787619.db2.gz 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C#C[C@@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000812021003 1200454041 /nfs/dbraw/zinc/45/40/41/1200454041.db2.gz QLNWHJIXGVLKMQ-CZUORRHYSA-N 1 2 335.835 2.034 20 30 EEEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000812021003 1200454044 /nfs/dbraw/zinc/45/40/44/1200454044.db2.gz QLNWHJIXGVLKMQ-CZUORRHYSA-N 1 2 335.835 2.034 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(NC(C)=O)ccc1C ZINC001018345846 1224630727 /nfs/dbraw/zinc/63/07/27/1224630727.db2.gz AQUZCIOMAJZVCF-HDICACEKSA-N 1 2 339.439 2.266 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(NC(C)=O)ccc1C ZINC001018345846 1224630731 /nfs/dbraw/zinc/63/07/31/1224630731.db2.gz AQUZCIOMAJZVCF-HDICACEKSA-N 1 2 339.439 2.266 20 30 EEEDLO N#Cc1cc(F)ccc1N1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000879590344 1201161670 /nfs/dbraw/zinc/16/16/70/1201161670.db2.gz ZIXGBJGDUHIUCB-CYBMUJFWSA-N 1 2 331.313 2.133 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001018396079 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C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccn(C(F)F)n1 ZINC000948919245 1209452701 /nfs/dbraw/zinc/45/27/01/1209452701.db2.gz BYVLLSRVUSNSJP-MRXNPFEDSA-N 1 2 344.365 2.241 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCOC2(CC[NH+](Cc3ccon3)CC2)C1 ZINC000949153655 1209556018 /nfs/dbraw/zinc/55/60/18/1209556018.db2.gz DQRMRYXHMHGVSF-UHFFFAOYSA-N 1 2 347.459 2.470 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)C1 ZINC000949454046 1209693450 /nfs/dbraw/zinc/69/34/50/1209693450.db2.gz APSAYOOUUFHVDN-UHFFFAOYSA-N 1 2 337.423 2.108 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)C1 ZINC000949454046 1209693451 /nfs/dbraw/zinc/69/34/51/1209693451.db2.gz APSAYOOUUFHVDN-UHFFFAOYSA-N 1 2 337.423 2.108 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C3CCC(F)(F)CC3)CC2)C1 ZINC000949483034 1209708605 /nfs/dbraw/zinc/70/86/05/1209708605.db2.gz KDFMBEZMURKUOX-UHFFFAOYSA-N 1 2 340.414 2.139 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C3CCC(F)(F)CC3)CC2)C1 ZINC000949483034 1209708608 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ZINC001009274715 1223196399 /nfs/dbraw/zinc/19/63/99/1223196399.db2.gz IPLVQKCFNHJCLH-QGZVFWFLSA-N 1 2 337.423 2.483 20 30 EEEDLO CCc1cc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)no1 ZINC001009274715 1223196401 /nfs/dbraw/zinc/19/64/01/1223196401.db2.gz IPLVQKCFNHJCLH-QGZVFWFLSA-N 1 2 337.423 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2CCc3ccccc32)C1 ZINC001009579572 1223291488 /nfs/dbraw/zinc/29/14/88/1223291488.db2.gz OSTVDVJREMLTPO-INIZCTEOSA-N 1 2 333.863 2.382 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CCc3ccccc32)C1 ZINC001009579572 1223291491 /nfs/dbraw/zinc/29/14/91/1223291491.db2.gz OSTVDVJREMLTPO-INIZCTEOSA-N 1 2 333.863 2.382 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)c1C ZINC001010396298 1223698324 /nfs/dbraw/zinc/69/83/24/1223698324.db2.gz HBHZOEDGZCZITP-OAHLLOKOSA-N 1 2 341.390 2.042 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)c1C ZINC001010396298 1223698325 /nfs/dbraw/zinc/69/83/25/1223698325.db2.gz HBHZOEDGZCZITP-OAHLLOKOSA-N 1 2 341.390 2.042 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cncc(F)c3)C2)c(F)c1 ZINC001010525890 1223765086 /nfs/dbraw/zinc/76/50/86/1223765086.db2.gz DYMCHCKOFOTEPX-MRXNPFEDSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cncc(F)c3)C2)c(F)c1 ZINC001010525890 1223765087 /nfs/dbraw/zinc/76/50/87/1223765087.db2.gz DYMCHCKOFOTEPX-MRXNPFEDSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(F)ccc3F)C2)c[nH]1 ZINC001010667024 1223842622 /nfs/dbraw/zinc/84/26/22/1223842622.db2.gz GQZADMPTLCYXQO-CQSZACIVSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(F)ccc3F)C2)c[nH]1 ZINC001010667024 1223842625 /nfs/dbraw/zinc/84/26/25/1223842625.db2.gz GQZADMPTLCYXQO-CQSZACIVSA-N 1 2 330.338 2.169 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC2(C1)CCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001010767101 1223897575 /nfs/dbraw/zinc/89/75/75/1223897575.db2.gz PHTCUFZXGZAAFX-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCOCC3)C2)c(F)c1 ZINC001010804040 1223914106 /nfs/dbraw/zinc/91/41/06/1223914106.db2.gz BIUGZJGXAZQKIC-NVXWUHKLSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCOCC3)C2)c(F)c1 ZINC001010804040 1223914109 /nfs/dbraw/zinc/91/41/09/1223914109.db2.gz BIUGZJGXAZQKIC-NVXWUHKLSA-N 1 2 345.418 2.205 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3nn(C)cc31)C2 ZINC001095926494 1226180839 /nfs/dbraw/zinc/18/08/39/1226180839.db2.gz CRUIIPOFZCKCOT-OMNBBPDLSA-N 1 2 348.878 2.314 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3nn(C)cc31)C2 ZINC001095926494 1226180842 /nfs/dbraw/zinc/18/08/42/1226180842.db2.gz CRUIIPOFZCKCOT-OMNBBPDLSA-N 1 2 348.878 2.314 20 30 EEEDLO Cc1cnccc1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001014382904 1226549659 /nfs/dbraw/zinc/54/96/59/1226549659.db2.gz WNAJOBKSJCMBNT-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cnccc1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001014382904 1226549661 /nfs/dbraw/zinc/54/96/61/1226549661.db2.gz WNAJOBKSJCMBNT-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO CCCn1nccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001014578573 1226800404 /nfs/dbraw/zinc/80/04/04/1226800404.db2.gz RDCRVVLRILSDKQ-QGZVFWFLSA-N 1 2 337.427 2.169 20 30 EEEDLO CCCn1nccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001014578573 1226800412 /nfs/dbraw/zinc/80/04/12/1226800412.db2.gz RDCRVVLRILSDKQ-QGZVFWFLSA-N 1 2 337.427 2.169 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2COc3ccccc3O2)C1 ZINC001014583481 1226807780 /nfs/dbraw/zinc/80/77/80/1226807780.db2.gz GWXFGLMVBMSJBE-KGLIPLIRSA-N 1 2 336.819 2.160 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2COc3ccccc3O2)C1 ZINC001014583481 1226807782 /nfs/dbraw/zinc/80/77/82/1226807782.db2.gz GWXFGLMVBMSJBE-KGLIPLIRSA-N 1 2 336.819 2.160 20 30 EEEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)NCc2ccccc2F)cc1 ZINC000114630143 1226813690 /nfs/dbraw/zinc/81/36/90/1226813690.db2.gz KJCCNQCENHEPJE-LBPRGKRZSA-N 1 2 345.374 2.176 20 30 EEEDLO C#CC[NH+]1CCN(Cc2cnc(SC)nc2NC2CCCC2)CC1 ZINC001137485546 1248766948 /nfs/dbraw/zinc/76/69/48/1248766948.db2.gz UZPGVIGVZYNDJV-UHFFFAOYSA-N 1 2 345.516 2.304 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=COCCC2)c1 ZINC001017413371 1227399801 /nfs/dbraw/zinc/39/98/01/1227399801.db2.gz ZODRWOMFHVVDJG-KDURUIRLSA-N 1 2 337.423 2.428 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=COCCC2)c1 ZINC001017413371 1227399805 /nfs/dbraw/zinc/39/98/05/1227399805.db2.gz ZODRWOMFHVVDJG-KDURUIRLSA-N 1 2 337.423 2.428 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cc(C)ccc1F ZINC001017553251 1227514721 /nfs/dbraw/zinc/51/47/21/1227514721.db2.gz XMGYBZLVBPASGC-IYBDPMFKSA-N 1 2 330.403 2.211 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cc(C)ccc1F ZINC001017553251 1227514728 /nfs/dbraw/zinc/51/47/28/1227514728.db2.gz XMGYBZLVBPASGC-IYBDPMFKSA-N 1 2 330.403 2.211 20 30 EEEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1nc(C2CCCC2)no1 ZINC001054659856 1248821564 /nfs/dbraw/zinc/82/15/64/1248821564.db2.gz SWTJMGJAOKLSCW-CZUORRHYSA-N 1 2 342.443 2.077 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(OC)c1ccccc1F ZINC001017606654 1227566547 /nfs/dbraw/zinc/56/65/47/1227566547.db2.gz UHWKBEUSANTMBU-GQIGUUNPSA-N 1 2 344.430 2.386 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(OC)c1ccccc1F ZINC001017606654 1227566550 /nfs/dbraw/zinc/56/65/50/1227566550.db2.gz UHWKBEUSANTMBU-GQIGUUNPSA-N 1 2 344.430 2.386 20 30 EEEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc2cnccc2s1 ZINC001017720734 1227673597 /nfs/dbraw/zinc/67/35/97/1227673597.db2.gz OEYDADXOWFFWAJ-BETUJISGSA-N 1 2 326.425 2.003 20 30 EEEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc2cnccc2s1 ZINC001017720734 1227673602 /nfs/dbraw/zinc/67/36/02/1227673602.db2.gz OEYDADXOWFFWAJ-BETUJISGSA-N 1 2 326.425 2.003 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2cccc(Cl)c12 ZINC001017721320 1227673908 /nfs/dbraw/zinc/67/39/08/1227673908.db2.gz BURBNJFJASXWAR-OKILXGFUSA-N 1 2 342.830 2.300 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2cccc(Cl)c12 ZINC001017721320 1227673910 /nfs/dbraw/zinc/67/39/10/1227673910.db2.gz BURBNJFJASXWAR-OKILXGFUSA-N 1 2 342.830 2.300 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)c(F)c1 ZINC001018878848 1228481542 /nfs/dbraw/zinc/48/15/42/1228481542.db2.gz VVPHMGWAPMYAHN-WCQYABFASA-N 1 2 347.287 2.288 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)c(F)c1 ZINC001018878848 1228481545 /nfs/dbraw/zinc/48/15/45/1228481545.db2.gz VVPHMGWAPMYAHN-WCQYABFASA-N 1 2 347.287 2.288 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)nc1 ZINC001097960809 1248986814 /nfs/dbraw/zinc/98/68/14/1248986814.db2.gz HLMGRITXJLGEBJ-CYBMUJFWSA-N 1 2 335.411 2.269 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2conc2C2CC2)c1 ZINC001038687989 1229976769 /nfs/dbraw/zinc/97/67/69/1229976769.db2.gz PQLFRKHXULKMJW-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2conc2C2CC2)c1 ZINC001038687989 1229976772 /nfs/dbraw/zinc/97/67/72/1229976772.db2.gz PQLFRKHXULKMJW-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(C)n[nH]c1C ZINC001039469217 1230634169 /nfs/dbraw/zinc/63/41/69/1230634169.db2.gz AVGPEQYPTHMKBY-CABCVRRESA-N 1 2 336.867 2.387 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(C)n[nH]c1C ZINC001039469217 1230634170 /nfs/dbraw/zinc/63/41/70/1230634170.db2.gz AVGPEQYPTHMKBY-CABCVRRESA-N 1 2 336.867 2.387 20 30 EEEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(P(C)(C)=O)cc1 ZINC001039473610 1230637514 /nfs/dbraw/zinc/63/75/14/1230637514.db2.gz VCAUPMYZLBICMX-SJORKVTESA-N 1 2 344.395 2.247 20 30 EEEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(P(C)(C)=O)cc1 ZINC001039473610 1230637516 /nfs/dbraw/zinc/63/75/16/1230637516.db2.gz VCAUPMYZLBICMX-SJORKVTESA-N 1 2 344.395 2.247 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)CCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001067298896 1230649480 /nfs/dbraw/zinc/64/94/80/1230649480.db2.gz CFYGWLGISNRYEW-GOSISDBHSA-N 1 2 334.464 2.252 20 30 EEEDLO CSCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001039507122 1230663737 /nfs/dbraw/zinc/66/37/37/1230663737.db2.gz BCLVKVUTGKWNKX-CALCHBBNSA-N 1 2 329.469 2.487 20 30 EEEDLO CSCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001039507122 1230663740 /nfs/dbraw/zinc/66/37/40/1230663740.db2.gz BCLVKVUTGKWNKX-CALCHBBNSA-N 1 2 329.469 2.487 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001067299735 1230667365 /nfs/dbraw/zinc/66/73/65/1230667365.db2.gz IFLCPXRVPLLGRE-HNNXBMFYSA-N 1 2 334.464 2.252 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cnn(C)c2)cc1 ZINC001039817189 1230830637 /nfs/dbraw/zinc/83/06/37/1230830637.db2.gz OJXAESKEBKCCII-BGYRXZFFSA-N 1 2 348.450 2.281 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cnn(C)c2)cc1 ZINC001039817189 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335.411 2.126 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@@H]1CNc1ncnc2c1C[N@H+](C)CC2 ZINC001097474581 1244230964 /nfs/dbraw/zinc/23/09/64/1244230964.db2.gz MRPQLRNYQFWQLA-OAHLLOKOSA-N 1 2 343.475 2.224 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@@H]1CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001097474581 1244230976 /nfs/dbraw/zinc/23/09/76/1244230976.db2.gz MRPQLRNYQFWQLA-OAHLLOKOSA-N 1 2 343.475 2.224 20 30 EEEDLO Cc1nc(N[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001057593691 1244375672 /nfs/dbraw/zinc/37/56/72/1244375672.db2.gz KFKKOGNSPMNOTM-OCCSQVGLSA-N 1 2 327.432 2.226 20 30 EEEDLO C=CCCC(=O)NC1CCC(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001097613036 1244420021 /nfs/dbraw/zinc/42/00/21/1244420021.db2.gz OWSHLWKXNGIEAO-UHFFFAOYSA-N 1 2 328.420 2.169 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001050817824 1244436205 /nfs/dbraw/zinc/43/62/05/1244436205.db2.gz WEANJQLNSHZEET-ZBFHGGJFSA-N 1 2 344.459 2.074 20 30 EEEDLO N#Cc1ccc(NC2CCC(NC(=O)CCn3cc[nH+]c3)CC2)cn1 ZINC001097636528 1244463702 /nfs/dbraw/zinc/46/37/02/1244463702.db2.gz MPZLJUSUQSMJIP-UHFFFAOYSA-N 1 2 338.415 2.079 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3nnc(CC)o3)CC2)C1 ZINC001052689005 1244756011 /nfs/dbraw/zinc/75/60/11/1244756011.db2.gz DETBOGMPGHSPBJ-AWEZNQCLSA-N 1 2 332.448 2.459 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3nnc(CC)o3)CC2)C1 ZINC001052689005 1244756022 /nfs/dbraw/zinc/75/60/22/1244756022.db2.gz DETBOGMPGHSPBJ-AWEZNQCLSA-N 1 2 332.448 2.459 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2[nH]ncc2F)CC1 ZINC001052688354 1244756883 /nfs/dbraw/zinc/75/68/83/1244756883.db2.gz SCYMUKNKTCFBAK-HNNXBMFYSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2[nH]ncc2F)CC1 ZINC001052688354 1244756889 /nfs/dbraw/zinc/75/68/89/1244756889.db2.gz SCYMUKNKTCFBAK-HNNXBMFYSA-N 1 2 341.390 2.205 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)ccc1F ZINC001051013214 1244850210 /nfs/dbraw/zinc/85/02/10/1244850210.db2.gz AOKHBDZTBOYDPR-ZDUSSCGKSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)ccc1F ZINC001051013214 1244850216 /nfs/dbraw/zinc/85/02/16/1244850216.db2.gz AOKHBDZTBOYDPR-ZDUSSCGKSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001051061883 1244927583 /nfs/dbraw/zinc/92/75/83/1244927583.db2.gz VVGPYMLDZPEJLM-WBVHZDCISA-N 1 2 344.459 2.005 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1csc(Cl)n1 ZINC001051199616 1245379307 /nfs/dbraw/zinc/37/93/07/1245379307.db2.gz GSAJYQUCIBBBQC-NSHDSACASA-N 1 2 329.853 2.193 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1csc(Cl)n1 ZINC001051199616 1245379310 /nfs/dbraw/zinc/37/93/10/1245379310.db2.gz GSAJYQUCIBBBQC-NSHDSACASA-N 1 2 329.853 2.193 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCC)c1[nH+]cnc2c1cnn2C ZINC001101223832 1245537926 /nfs/dbraw/zinc/53/79/26/1245537926.db2.gz OTHIAENAYKTTFB-UONOGXRCSA-N 1 2 344.463 2.154 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001097879626 1245627427 /nfs/dbraw/zinc/62/74/27/1245627427.db2.gz ZGCSSODFQRFMQK-DZVNLGKHSA-N 1 2 345.418 2.033 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001097879626 1245627437 /nfs/dbraw/zinc/62/74/37/1245627437.db2.gz ZGCSSODFQRFMQK-DZVNLGKHSA-N 1 2 345.418 2.033 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc(C)ccc1OC)CCO2 ZINC001053332067 1246193953 /nfs/dbraw/zinc/19/39/53/1246193953.db2.gz KDKMIEGICYFJQS-UHFFFAOYSA-N 1 2 330.428 2.107 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)CC1 ZINC001052057449 1246428043 /nfs/dbraw/zinc/42/80/43/1246428043.db2.gz PIINBZCXPCVAKG-LWYYNNOASA-N 1 2 343.515 2.055 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3ccns3)CC2)C1 ZINC001052063568 1246434590 /nfs/dbraw/zinc/43/45/90/1246434590.db2.gz WGQNYTYSJHVXGC-OAHLLOKOSA-N 1 2 348.516 2.074 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)C(C)(F)F)C2)CC1 ZINC001052083157 1246460665 /nfs/dbraw/zinc/46/06/65/1246460665.db2.gz KRMZYWFRYNRIJT-KBPBESRZSA-N 1 2 349.853 2.249 20 30 EEEDLO C=Cc1ccc(C(=O)N2CC[C@@H](N3CC[NH+](CC#CC)CC3)C2)cc1 ZINC001052087154 1246466267 /nfs/dbraw/zinc/46/62/67/1246466267.db2.gz ZYVUBSYCVJHPEB-HXUWFJFHSA-N 1 2 337.467 2.185 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)C3CCCC3)C2)CC1 ZINC001052106494 1246485961 /nfs/dbraw/zinc/48/59/61/1246485961.db2.gz MOJCQZACVKXYEC-HKUYNNGSSA-N 1 2 331.504 2.055 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3occ4c3CCCC4)C2)CC1 ZINC001052112563 1246493906 /nfs/dbraw/zinc/49/39/06/1246493906.db2.gz ZJKIPMABBKAQCX-QGZVFWFLSA-N 1 2 343.471 2.177 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C3CC(C(C)(C)C)C3)C2)CC1 ZINC001052121425 1246506639 /nfs/dbraw/zinc/50/66/39/1246506639.db2.gz ARUBYLOGDORYBN-ACBHZAAOSA-N 1 2 345.531 2.301 20 30 EEEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccoc3C(C)C)C2)CC1 ZINC001052121812 1246506668 /nfs/dbraw/zinc/50/66/68/1246506668.db2.gz HSYOJEHIEMTTHT-QGZVFWFLSA-N 1 2 343.471 2.258 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)O2 ZINC001053604168 1246519490 /nfs/dbraw/zinc/51/94/90/1246519490.db2.gz XJESIEULSYKXKM-CQSZACIVSA-N 1 2 346.475 2.247 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccnn1[C@H](C)CC)O2 ZINC001053606106 1246522684 /nfs/dbraw/zinc/52/26/84/1246522684.db2.gz PEVOKPKUZGIDSJ-CABCVRRESA-N 1 2 332.448 2.003 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc3cccnc31)O2 ZINC001053624208 1246548819 /nfs/dbraw/zinc/54/88/19/1246548819.db2.gz MBONIFNELXTAQC-MRXNPFEDSA-N 1 2 337.423 2.384 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(F)c(F)c1F)O2 ZINC001053655255 1246598764 /nfs/dbraw/zinc/59/87/64/1246598764.db2.gz GGYBLLDRTHNJAR-LLVKDONJSA-N 1 2 340.345 2.253 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc3ccncc31)O2 ZINC001053683439 1246641781 /nfs/dbraw/zinc/64/17/81/1246641781.db2.gz RPPJZXWRBRQTPO-INIZCTEOSA-N 1 2 337.423 2.384 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1coc(CC3CC3)n1)O2 ZINC001053685670 1246646325 /nfs/dbraw/zinc/64/63/25/1246646325.db2.gz WRFGUWGXPMPTLL-OAHLLOKOSA-N 1 2 345.443 2.166 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnn1[C@@H](C)CC)CO2 ZINC001053818298 1246835064 /nfs/dbraw/zinc/83/50/64/1246835064.db2.gz CYDINIRBVQZHLP-LSDHHAIUSA-N 1 2 332.448 2.003 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)noc1C(F)F)CO2 ZINC001053839922 1246884948 /nfs/dbraw/zinc/88/49/48/1246884948.db2.gz RFXSIQZCHLUTMZ-NSHDSACASA-N 1 2 341.358 2.070 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001057726376 1246961818 /nfs/dbraw/zinc/96/18/18/1246961818.db2.gz ISKBZRGYALVJJB-CQSZACIVSA-N 1 2 343.475 2.080 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001057726376 1246961825 /nfs/dbraw/zinc/96/18/25/1246961825.db2.gz ISKBZRGYALVJJB-CQSZACIVSA-N 1 2 343.475 2.080 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)c1cccc(C)c1)CO2 ZINC001053941902 1247043135 /nfs/dbraw/zinc/04/31/35/1247043135.db2.gz HKWBUPFRKIARKN-SJLPKXTDSA-N 1 2 326.440 2.081 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)CO2 ZINC001053953290 1247061148 /nfs/dbraw/zinc/06/11/48/1247061148.db2.gz PABALZLHXSUUGE-NSHGMRRFSA-N 1 2 338.451 2.163 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1csc(C(C)C)n1)CO2 ZINC001053957586 1247068197 /nfs/dbraw/zinc/06/81/97/1247068197.db2.gz DFUURGPOJYWIJQ-CYBMUJFWSA-N 1 2 335.473 2.416 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3c([nH]1)CCCC3)CO2 ZINC001053977700 1247098865 /nfs/dbraw/zinc/09/88/65/1247098865.db2.gz ZVHFHQSOIFFQIF-OAHLLOKOSA-N 1 2 329.444 2.043 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc(OC(C)C)c1)CO2 ZINC001053979874 1247102549 /nfs/dbraw/zinc/10/25/49/1247102549.db2.gz ZCLTWEFYODAZGZ-MRXNPFEDSA-N 1 2 345.443 2.018 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C13CC4CC(CC(C4)C1)C3)CO2 ZINC001053989490 1247116110 /nfs/dbraw/zinc/11/61/10/1247116110.db2.gz HEWHYPRDLHXHIG-ZCYBBYNQSA-N 1 2 342.483 2.186 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(F)cc1Cl)CO2 ZINC001053998316 1247128606 /nfs/dbraw/zinc/12/86/06/1247128606.db2.gz KBFJYZJHDBJNQW-CYBMUJFWSA-N 1 2 336.794 2.076 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C13CC(C(F)(F)F)(C1)C3)CO2 ZINC001054017903 1247155724 /nfs/dbraw/zinc/15/57/24/1247155724.db2.gz PHVZDTDGRDGREU-LRVUVFPRSA-N 1 2 344.377 2.255 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cncc(F)c1 ZINC001054036030 1247189413 /nfs/dbraw/zinc/18/94/13/1247189413.db2.gz AHQFIQLEETUUGP-IBGZPJMESA-N 1 2 337.398 2.401 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cncc(F)c1 ZINC001054036030 1247189422 /nfs/dbraw/zinc/18/94/22/1247189422.db2.gz AHQFIQLEETUUGP-IBGZPJMESA-N 1 2 337.398 2.401 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccn(C(F)F)n1 ZINC001054041535 1247202168 /nfs/dbraw/zinc/20/21/68/1247202168.db2.gz NMKSBHFPGPCVMK-HNNXBMFYSA-N 1 2 344.365 2.068 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccn(C(F)F)n1 ZINC001054041535 1247202176 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/nfs/dbraw/zinc/51/81/46/784518146.db2.gz KINHPLGKYIWOLL-GFCCVEGCSA-N 1 2 346.374 2.221 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn(C)c3ccccc23)C1 ZINC001035432491 784518357 /nfs/dbraw/zinc/51/83/57/784518357.db2.gz VPQBRQRWPRXYCH-HNNXBMFYSA-N 1 2 327.428 2.185 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cn(C)c3ccccc23)C1 ZINC001035432491 784518365 /nfs/dbraw/zinc/51/83/65/784518365.db2.gz VPQBRQRWPRXYCH-HNNXBMFYSA-N 1 2 327.428 2.185 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)cc2F)C1 ZINC001035435992 784522895 /nfs/dbraw/zinc/52/28/95/784522895.db2.gz XQTJVFVGJDDXAN-CYBMUJFWSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)cc2F)C1 ZINC001035435992 784522898 /nfs/dbraw/zinc/52/28/98/784522898.db2.gz XQTJVFVGJDDXAN-CYBMUJFWSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC001035442757 784537172 /nfs/dbraw/zinc/53/71/72/784537172.db2.gz WQPADDYVSKVFFA-INIZCTEOSA-N 1 2 340.427 2.083 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC001035442757 784537182 /nfs/dbraw/zinc/53/71/82/784537182.db2.gz WQPADDYVSKVFFA-INIZCTEOSA-N 1 2 340.427 2.083 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccnc(OC3CCC3)c2)C1 ZINC001035559367 784732349 /nfs/dbraw/zinc/73/23/49/784732349.db2.gz ZZXKXKBUICKXCH-KRWDZBQOSA-N 1 2 345.443 2.020 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccnc(OC3CCC3)c2)C1 ZINC001035559367 784732356 /nfs/dbraw/zinc/73/23/56/784732356.db2.gz ZZXKXKBUICKXCH-KRWDZBQOSA-N 1 2 345.443 2.020 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCc3c[nH]nc3C1)CC2 ZINC001035852903 785241134 /nfs/dbraw/zinc/24/11/34/785241134.db2.gz HODKIYHSUTVKDL-AWEZNQCLSA-N 1 2 348.878 2.192 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC3(C[NH+](CC(=C)Cl)C3)CC2)nc1 ZINC001035838592 785262993 /nfs/dbraw/zinc/26/29/93/785262993.db2.gz UVJJFPLHGLOWRE-UHFFFAOYSA-N 1 2 329.831 2.353 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)[C@@H]1C ZINC001088868459 791107589 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C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1OC1CC1 ZINC001032318634 787236722 /nfs/dbraw/zinc/23/67/22/787236722.db2.gz UOJSNUCANAGHCQ-KBMXLJTQSA-N 1 2 325.412 2.173 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OC)nn1 ZINC001109634650 805782782 /nfs/dbraw/zinc/78/27/82/805782782.db2.gz SPAJHVSIFISDGK-SIXLDLHFSA-N 1 2 344.459 2.309 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(OC)nn1 ZINC001109634650 805782786 /nfs/dbraw/zinc/78/27/86/805782786.db2.gz SPAJHVSIFISDGK-SIXLDLHFSA-N 1 2 344.459 2.309 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001062171564 787532795 /nfs/dbraw/zinc/53/27/95/787532795.db2.gz MBSUFPWXTZYCQS-OAHLLOKOSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001062173500 787538042 /nfs/dbraw/zinc/53/80/42/787538042.db2.gz HKBVRMSGZKPTLF-DNVCBOLYSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)(C)C 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ZINC001107802413 788503238 /nfs/dbraw/zinc/50/32/38/788503238.db2.gz RAZKFCCVCVRIJM-LJQANCHMSA-N 1 2 332.444 2.369 20 30 EEEDLO C=CCCC(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(C)nc2C)CCO1 ZINC001107802792 788503266 /nfs/dbraw/zinc/50/32/66/788503266.db2.gz ZHAPTOLMMBNCME-IBGZPJMESA-N 1 2 331.460 2.372 20 30 EEEDLO C=CCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C)nc2C)CCO1 ZINC001107802792 788503276 /nfs/dbraw/zinc/50/32/76/788503276.db2.gz ZHAPTOLMMBNCME-IBGZPJMESA-N 1 2 331.460 2.372 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(c3ccccc3C)CC2)[C@H](O)C1 ZINC001090843452 788525156 /nfs/dbraw/zinc/52/51/56/788525156.db2.gz IOULRAZAKXGIMK-DLBZAZTESA-N 1 2 348.874 2.331 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(c3ccccc3C)CC2)[C@H](O)C1 ZINC001090843452 788525164 /nfs/dbraw/zinc/52/51/64/788525164.db2.gz IOULRAZAKXGIMK-DLBZAZTESA-N 1 2 348.874 2.331 20 30 EEEDLO N#CCN1C[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC[C@@H]2C1 ZINC000946843060 788525737 /nfs/dbraw/zinc/52/57/37/788525737.db2.gz QBEDNWITXKCQCX-HDICACEKSA-N 1 2 349.438 2.180 20 30 EEEDLO Cc1cc(F)ccc1C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)C#N)C1 ZINC001107821597 788579361 /nfs/dbraw/zinc/57/93/61/788579361.db2.gz RJBKJBRFSNUQBR-KSSFIOAISA-N 1 2 333.407 2.001 20 30 EEEDLO Cc1cc(F)ccc1C[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)C#N)C1 ZINC001107821597 788579370 /nfs/dbraw/zinc/57/93/70/788579370.db2.gz RJBKJBRFSNUQBR-KSSFIOAISA-N 1 2 333.407 2.001 20 30 EEEDLO CCNC(=O)COC1CC[NH+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143732344 788804967 /nfs/dbraw/zinc/80/49/67/788804967.db2.gz OYWIDCWZPBNFRR-UHFFFAOYSA-N 1 2 335.835 2.329 20 30 EEEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000844134299 788869956 /nfs/dbraw/zinc/86/99/56/788869956.db2.gz IAJWNFPQZDZBFL-DOTOQJQBSA-N 1 2 338.411 2.443 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060794975 788967520 /nfs/dbraw/zinc/96/75/20/788967520.db2.gz CQBYERYVZFXLOC-SPYBWZPUSA-N 1 2 346.475 2.346 20 30 EEEDLO C=CC[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC001144019197 789157651 /nfs/dbraw/zinc/15/76/51/789157651.db2.gz WXTYIIFSPYFZLQ-HNNXBMFYSA-N 1 2 330.428 2.330 20 30 EEEDLO C#CCCCC(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107901046 789188910 /nfs/dbraw/zinc/18/89/10/789188910.db2.gz IBRLHYUAFZOGLR-FQEVSTJZSA-N 1 2 339.439 2.069 20 30 EEEDLO C#CCCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107901046 789188918 /nfs/dbraw/zinc/18/89/18/789188918.db2.gz IBRLHYUAFZOGLR-FQEVSTJZSA-N 1 2 339.439 2.069 20 30 EEEDLO Cc1cc(NC[C@H](NC(=O)CSCC#N)C2CC2)nc(C(C)C)[nH+]1 ZINC001109763212 805945364 /nfs/dbraw/zinc/94/53/64/805945364.db2.gz GVWZZONKLAAPIX-AWEZNQCLSA-N 1 2 347.488 2.472 20 30 EEEDLO C=CCCC1(C(=O)N2CCC(OC3C[NH+](CCOC)C3)CC2)CC1 ZINC001105724392 789254031 /nfs/dbraw/zinc/25/40/31/789254031.db2.gz ZZWYZXGDNQGTEP-UHFFFAOYSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060826133 789550502 /nfs/dbraw/zinc/55/05/02/789550502.db2.gz YZBRXEGYHOQNAL-SPYBWZPUSA-N 1 2 346.475 2.346 20 30 EEEDLO Cc1nc(NC[C@H]2CCN(C(=O)[C@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001060826312 789553509 /nfs/dbraw/zinc/55/35/09/789553509.db2.gz WAPCORYYMXTDIB-TZMCWYRMSA-N 1 2 327.432 2.084 20 30 EEEDLO CC(C)c1cc(NC[C@@H](O)CNC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001105825909 789787794 /nfs/dbraw/zinc/78/77/94/789787794.db2.gz TXGYCLWTTOGHFT-OAHLLOKOSA-N 1 2 344.459 2.026 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc(-c3cccnc3)s2)C1 ZINC000923566127 789788556 /nfs/dbraw/zinc/78/85/56/789788556.db2.gz IXIRYYFFNZQBPP-AWEZNQCLSA-N 1 2 326.425 2.033 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(-c3cccnc3)s2)C1 ZINC000923566127 789788561 /nfs/dbraw/zinc/78/85/61/789788561.db2.gz IXIRYYFFNZQBPP-AWEZNQCLSA-N 1 2 326.425 2.033 20 30 EEEDLO N#Cc1ccc(C(=O)NC2C[NH+](Cc3cccc4cccnc43)C2)[nH]1 ZINC001030222383 789815215 /nfs/dbraw/zinc/81/52/15/789815215.db2.gz BXTPCYKQVXDGTC-UHFFFAOYSA-N 1 2 331.379 2.049 20 30 EEEDLO C[C@H](CC(=O)[C@@H](C#N)C(=O)NCc1ccc(F)c(F)c1)n1cc[nH+]c1 ZINC000845527884 789833428 /nfs/dbraw/zinc/83/34/28/789833428.db2.gz VWWAVAVGRJHOCK-DGCLKSJQSA-N 1 2 346.337 2.138 20 30 EEEDLO N#Cc1ccc(NC[C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)nc1 ZINC001060317809 790023194 /nfs/dbraw/zinc/02/31/94/790023194.db2.gz OICFHMAPQFJOQA-INIZCTEOSA-N 1 2 338.415 2.102 20 30 EEEDLO N#Cc1ccc(NC[C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)nc1 ZINC001060317809 790023199 /nfs/dbraw/zinc/02/31/99/790023199.db2.gz OICFHMAPQFJOQA-INIZCTEOSA-N 1 2 338.415 2.102 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C)on2)[C@@H]1C ZINC001088908574 791489521 /nfs/dbraw/zinc/48/95/21/791489521.db2.gz GFFFRTRWRFKJBE-UBDQQSCGSA-N 1 2 347.459 2.433 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)on2)[C@@H]1C ZINC001088908574 791489525 /nfs/dbraw/zinc/48/95/25/791489525.db2.gz GFFFRTRWRFKJBE-UBDQQSCGSA-N 1 2 347.459 2.433 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2nocc2C)[C@@H]1C 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C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cocn2)CC2(CCOCC2)C1 ZINC001089926592 792006629 /nfs/dbraw/zinc/00/66/29/792006629.db2.gz KTPFLGLWYWQGKW-ZDUSSCGKSA-N 1 2 339.823 2.028 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2Cc3cccc(F)c3O2)[C@H]1C ZINC001089050316 792008569 /nfs/dbraw/zinc/00/85/69/792008569.db2.gz BGHGXYGMBCCXIZ-BYCMXARLSA-N 1 2 338.810 2.461 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2Cc3cccc(F)c3O2)[C@H]1C ZINC001089050316 792008576 /nfs/dbraw/zinc/00/85/76/792008576.db2.gz BGHGXYGMBCCXIZ-BYCMXARLSA-N 1 2 338.810 2.461 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC1(CNC(=O)CCc2c[nH+]cn2C)CCC1 ZINC001063983529 792059518 /nfs/dbraw/zinc/05/95/18/792059518.db2.gz MGMUNUJVXWPYDA-HNNXBMFYSA-N 1 2 346.475 2.110 20 30 EEEDLO CO[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1)C(C)C ZINC001032605306 792131086 /nfs/dbraw/zinc/13/10/86/792131086.db2.gz WNOMGUWMMJQTOT-OKZBNKHCSA-N 1 2 327.428 2.014 20 30 EEEDLO CO[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1)C(C)C ZINC001032605306 792131094 /nfs/dbraw/zinc/13/10/94/792131094.db2.gz WNOMGUWMMJQTOT-OKZBNKHCSA-N 1 2 327.428 2.014 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccnc(OC)c1 ZINC001032605874 792143936 /nfs/dbraw/zinc/14/39/36/792143936.db2.gz JBEAKWWNHQUDMG-TXPKVOOTSA-N 1 2 329.444 2.478 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccnc(OC)c1 ZINC001032605874 792143943 /nfs/dbraw/zinc/14/39/43/792143943.db2.gz JBEAKWWNHQUDMG-TXPKVOOTSA-N 1 2 329.444 2.478 20 30 EEEDLO C=CCCCC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nnc(CC)[nH]1)C2 ZINC001148199590 792212355 /nfs/dbraw/zinc/21/23/55/792212355.db2.gz LANOVKWOWIYHDX-CQSZACIVSA-N 1 2 331.464 2.319 20 30 EEEDLO C=CCCCC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nnc(CC)[nH]1)C2 ZINC001148199590 792212360 /nfs/dbraw/zinc/21/23/60/792212360.db2.gz LANOVKWOWIYHDX-CQSZACIVSA-N 1 2 331.464 2.319 20 30 EEEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@@H+]([C@H](C)c2nncn2C)C3)CCC1 ZINC001148249116 792277297 /nfs/dbraw/zinc/27/72/97/792277297.db2.gz 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/nfs/dbraw/zinc/90/58/84/793905884.db2.gz NPPDNORXQFTUOX-ARFHVFGLSA-N 1 2 326.444 2.077 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@]1(C)CN(c2nc(C)[nH+]c(C)c2C)CCO1 ZINC001092767344 794321883 /nfs/dbraw/zinc/32/18/83/794321883.db2.gz QHWHPJBLEBOKMG-LJQANCHMSA-N 1 2 346.475 2.326 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)no1 ZINC001079388021 794680245 /nfs/dbraw/zinc/68/02/45/794680245.db2.gz BTXMAQDESOUFKB-FZKQIMNGSA-N 1 2 341.386 2.224 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)no1 ZINC001079388021 794680253 /nfs/dbraw/zinc/68/02/53/794680253.db2.gz BTXMAQDESOUFKB-FZKQIMNGSA-N 1 2 341.386 2.224 20 30 EEEDLO C=C1CCC(C(=O)N2CC(N(CC)C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001079694158 795110701 /nfs/dbraw/zinc/11/07/01/795110701.db2.gz AZNKBDHDXHKTIE-UHFFFAOYSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc(OC(C)C)cn2)C1 ZINC001079694538 795112105 /nfs/dbraw/zinc/11/21/05/795112105.db2.gz FOMBPNNFWCCRNE-BXUZGUMPSA-N 1 2 338.839 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C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001080114599 795612718 /nfs/dbraw/zinc/61/27/18/795612718.db2.gz RZEGNXDGPJLVSD-MSQAHXEGSA-N 1 2 326.868 2.238 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001080114599 795612725 /nfs/dbraw/zinc/61/27/25/795612725.db2.gz RZEGNXDGPJLVSD-MSQAHXEGSA-N 1 2 326.868 2.238 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)CCNc1[nH+]cnc2c1cnn2C ZINC001106552841 795816943 /nfs/dbraw/zinc/81/69/43/795816943.db2.gz HULCUKUKWHIYOY-SJKOYZFVSA-N 1 2 330.436 2.272 20 30 EEEDLO CC(C)C[C@@H](C(=O)NCCNc1ncc(C#N)cc1F)n1cc[nH+]c1 ZINC001093935747 795829868 /nfs/dbraw/zinc/82/98/68/795829868.db2.gz JKYATBIFDBLOQF-HNNXBMFYSA-N 1 2 344.394 2.104 20 30 EEEDLO Cc1nsc(NCC[C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)c1C#N ZINC001106593794 795907834 /nfs/dbraw/zinc/90/78/34/795907834.db2.gz USKKOVPDDLXXEL-NWDGAFQWSA-N 1 2 346.460 2.478 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CCC3(CC3)CC2)[C@@H](O)C1 ZINC001090435805 806462560 /nfs/dbraw/zinc/46/25/60/806462560.db2.gz KOVTTYBXZPHTHI-CABCVRRESA-N 1 2 326.868 2.261 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CCC3(CC3)CC2)[C@@H](O)C1 ZINC001090435805 806462562 /nfs/dbraw/zinc/46/25/62/806462562.db2.gz KOVTTYBXZPHTHI-CABCVRRESA-N 1 2 326.868 2.261 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCCC[C@@H]3C)nn2)C1 ZINC001094314042 796080069 /nfs/dbraw/zinc/08/00/69/796080069.db2.gz MUVHIJZEFMIRIV-WMLDXEAASA-N 1 2 331.464 2.153 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCCC4(CC4)C3)nn2)C1 ZINC001094292033 796094374 /nfs/dbraw/zinc/09/43/74/796094374.db2.gz YKSORMYLRHYHIR-OAHLLOKOSA-N 1 2 343.475 2.298 20 30 EEEDLO C=CCCC1(C(=O)NCC[C@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001078218891 796097024 /nfs/dbraw/zinc/09/70/24/796097024.db2.gz LLYXWIJCARPEBO-CABCVRRESA-N 1 2 346.475 2.346 20 30 EEEDLO C=CCCC1(C(=O)NCC[C@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001078218891 796097034 /nfs/dbraw/zinc/09/70/34/796097034.db2.gz LLYXWIJCARPEBO-CABCVRRESA-N 1 2 346.475 2.346 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)c2c(C)noc2C)C1 ZINC001108034572 796175626 /nfs/dbraw/zinc/17/56/26/796175626.db2.gz ZZEQOFSMLIIMSP-FZKQIMNGSA-N 1 2 335.448 2.178 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)c2c(C)noc2C)C1 ZINC001108034572 796175630 /nfs/dbraw/zinc/17/56/30/796175630.db2.gz ZZEQOFSMLIIMSP-FZKQIMNGSA-N 1 2 335.448 2.178 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001060977950 796347927 /nfs/dbraw/zinc/34/79/27/796347927.db2.gz ULEFMGWHTZXMRC-ACJLOTCBSA-N 1 2 342.447 2.226 20 30 EEEDLO C[C@H](C[C@@H](C)Nc1ccc(C#N)cn1)NC(=O)CCCn1cc[nH+]c1 ZINC001089346759 796372316 /nfs/dbraw/zinc/37/23/16/796372316.db2.gz RKOKCWLIGXGWMX-HUUCEWRRSA-N 1 2 340.431 2.325 20 30 EEEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)OCCOC ZINC001099258689 796398418 /nfs/dbraw/zinc/39/84/18/796398418.db2.gz STFCQTXURPKRQQ-GJZGRUSLSA-N 1 2 346.899 2.397 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)OCCOC ZINC001099258689 796398423 /nfs/dbraw/zinc/39/84/23/796398423.db2.gz STFCQTXURPKRQQ-GJZGRUSLSA-N 1 2 346.899 2.397 20 30 EEEDLO CCCCCCCCCNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000785496327 806502488 /nfs/dbraw/zinc/50/24/88/806502488.db2.gz JIDOWYITSWBSFF-OAHLLOKOSA-N 1 2 334.464 2.181 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCCO[C@@H](C[NH2+][C@@H](C)c3nnc(C)o3)C2)C1 ZINC001078464978 796518259 /nfs/dbraw/zinc/51/82/59/796518259.db2.gz LQCVWMMAIGVIKP-ZFWWWQNUSA-N 1 2 348.447 2.002 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CCC(C)=C(C)C3)CC2=O)C1 ZINC001094742638 796557062 /nfs/dbraw/zinc/55/70/62/796557062.db2.gz SXBRNHIQOVZPRS-DLBZAZTESA-N 1 2 345.487 2.100 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@]3(C)CC[C@H](C)C3(C)C)CC2=O)C1 ZINC001094791322 796583073 /nfs/dbraw/zinc/58/30/73/796583073.db2.gz AUOCNIRXMVBANG-AVYPCKFXSA-N 1 2 347.503 2.036 20 30 EEEDLO C#CCOc1ncccc1C(=O)NC1C[NH+](Cc2c(C)cccc2C)C1 ZINC001031276025 796628435 /nfs/dbraw/zinc/62/84/35/796628435.db2.gz HDSGXGZBDVYOCL-UHFFFAOYSA-N 1 2 349.434 2.325 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)nnn3C)[C@H]1C ZINC000993479610 796727844 /nfs/dbraw/zinc/72/78/44/796727844.db2.gz ATYUGHFLSFDSLY-TZMCWYRMSA-N 1 2 347.850 2.304 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)nnn3C)[C@H]1C ZINC000993479610 796727846 /nfs/dbraw/zinc/72/78/46/796727846.db2.gz ATYUGHFLSFDSLY-TZMCWYRMSA-N 1 2 347.850 2.304 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(OC)cn2)[C@H]1C ZINC000993718867 796934482 /nfs/dbraw/zinc/93/44/82/796934482.db2.gz LYGGDIUDEVUUCI-CZUORRHYSA-N 1 2 337.851 2.354 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(OC)cn2)[C@H]1C ZINC000993718867 796934486 /nfs/dbraw/zinc/93/44/86/796934486.db2.gz LYGGDIUDEVUUCI-CZUORRHYSA-N 1 2 337.851 2.354 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001061011709 797068000 /nfs/dbraw/zinc/06/80/00/797068000.db2.gz GBJLNVJHAOEFLU-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001082041495 797113171 /nfs/dbraw/zinc/11/31/71/797113171.db2.gz AMZZFFGEFYBDFY-HNNXBMFYSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001082145211 797235274 /nfs/dbraw/zinc/23/52/74/797235274.db2.gz RYYXPIPPAVDXJO-ARFHVFGLSA-N 1 2 344.459 2.367 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001082145211 797235280 /nfs/dbraw/zinc/23/52/80/797235280.db2.gz RYYXPIPPAVDXJO-ARFHVFGLSA-N 1 2 344.459 2.367 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCOC2)C1 ZINC001046924223 797405723 /nfs/dbraw/zinc/40/57/23/797405723.db2.gz GSWBXFGEMXYBLE-STQMWFEESA-N 1 2 336.810 2.239 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCOC2)C1 ZINC001046924223 797405729 /nfs/dbraw/zinc/40/57/29/797405729.db2.gz GSWBXFGEMXYBLE-STQMWFEESA-N 1 2 336.810 2.239 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2coc3ccc(Cl)cc23)[C@H](OC)C1 ZINC001082348144 797456127 /nfs/dbraw/zinc/45/61/27/797456127.db2.gz LZNKFARZELYZNT-GDBMZVCRSA-N 1 2 332.787 2.148 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2coc3ccc(Cl)cc23)[C@H](OC)C1 ZINC001082348144 797456133 /nfs/dbraw/zinc/45/61/33/797456133.db2.gz LZNKFARZELYZNT-GDBMZVCRSA-N 1 2 332.787 2.148 20 30 EEEDLO Cc1noc(C)c1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084180608 798031124 /nfs/dbraw/zinc/03/11/24/798031124.db2.gz HKRFFTJUKZYVOP-RTBURBONSA-N 1 2 349.434 2.489 20 30 EEEDLO Cc1noc(C)c1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084180608 798031132 /nfs/dbraw/zinc/03/11/32/798031132.db2.gz HKRFFTJUKZYVOP-RTBURBONSA-N 1 2 349.434 2.489 20 30 EEEDLO Cc1nc(C)c(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)o1 ZINC001084252145 798073731 /nfs/dbraw/zinc/07/37/31/798073731.db2.gz JZKMFZPVBASCSW-RTBURBONSA-N 1 2 349.434 2.489 20 30 EEEDLO Cc1nc(C)c(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)o1 ZINC001084252145 798073736 /nfs/dbraw/zinc/07/37/36/798073736.db2.gz JZKMFZPVBASCSW-RTBURBONSA-N 1 2 349.434 2.489 20 30 EEEDLO Cc1nsc(N[C@@H]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1C#N ZINC001061096624 798165303 /nfs/dbraw/zinc/16/53/03/798165303.db2.gz VTXVCQUPOJANBH-QWHCGFSZSA-N 1 2 344.444 2.059 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccnc3)[C@@H]2C1 ZINC001084676602 798361960 /nfs/dbraw/zinc/36/19/60/798361960.db2.gz WHYQNJRFJJEUNF-YYIAUSFCSA-N 1 2 331.847 2.470 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccnc3)[C@@H]2C1 ZINC001084676602 798361967 /nfs/dbraw/zinc/36/19/67/798361967.db2.gz WHYQNJRFJJEUNF-YYIAUSFCSA-N 1 2 331.847 2.470 20 30 EEEDLO N#Cc1cc(C(=O)NC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)c[nH]1 ZINC001002638179 798367396 /nfs/dbraw/zinc/36/73/96/798367396.db2.gz AZWRLVOFUDKEKF-UHFFFAOYSA-N 1 2 339.399 2.146 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[NH2+]Cc1nnc(C(F)(F)F)s1 ZINC001128245879 798498223 /nfs/dbraw/zinc/49/82/23/798498223.db2.gz KARQKBTZGVRWSH-UHFFFAOYSA-N 1 2 336.383 2.365 20 30 EEEDLO N=C(c1ccccc1N)N(O)C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176967376 798662652 /nfs/dbraw/zinc/66/26/52/798662652.db2.gz KZMLDORCLPYXMT-CYBMUJFWSA-N 1 2 339.399 2.124 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCc3cccnc3)C[C@@H]21 ZINC001177119702 798734996 /nfs/dbraw/zinc/73/49/96/798734996.db2.gz OUXJTEMLLNRKAF-RBUKOAKNSA-N 1 2 343.471 2.282 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCCc3cccnc3)C[C@@H]21 ZINC001177119702 798734999 /nfs/dbraw/zinc/73/49/99/798734999.db2.gz OUXJTEMLLNRKAF-RBUKOAKNSA-N 1 2 343.471 2.282 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC(CC)CC)C[C@H]21 ZINC001177124118 798738594 /nfs/dbraw/zinc/73/85/94/798738594.db2.gz GWSOOZYVQUSYDU-QZTJIDSGSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC(CC)CC)C[C@H]21 ZINC001177124118 798738597 /nfs/dbraw/zinc/73/85/97/798738597.db2.gz GWSOOZYVQUSYDU-QZTJIDSGSA-N 1 2 338.492 2.317 20 30 EEEDLO CC(C)C#CC(=O)NCc1cnn2c1C[N@H+](CCCCCF)CC2 ZINC001128346987 798989956 /nfs/dbraw/zinc/98/99/56/798989956.db2.gz HSXKZJLSDBPICB-UHFFFAOYSA-N 1 2 334.439 2.114 20 30 EEEDLO CC(C)C#CC(=O)NCc1cnn2c1C[N@@H+](CCCCCF)CC2 ZINC001128346987 798989960 /nfs/dbraw/zinc/98/99/60/798989960.db2.gz HSXKZJLSDBPICB-UHFFFAOYSA-N 1 2 334.439 2.114 20 30 EEEDLO C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)/C=C(/C)CC)C1 ZINC001177524695 799005137 /nfs/dbraw/zinc/00/51/37/799005137.db2.gz ANFBPPFIWHPGFZ-AQTBWJFISA-N 1 2 340.467 2.442 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)C3CCC3)C2)CC1 ZINC001065705715 799354667 /nfs/dbraw/zinc/35/46/67/799354667.db2.gz BXEIDTJFIYQGQQ-WMZOPIPTSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)C3CCC3)C2)CC1 ZINC001065705712 799355146 /nfs/dbraw/zinc/35/51/46/799355146.db2.gz BXEIDTJFIYQGQQ-AEFFLSMTSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)C(C)(C)C)C2)CC1 ZINC001065706499 799355676 /nfs/dbraw/zinc/35/56/76/799355676.db2.gz KOGUAFXCEUDRSN-SJORKVTESA-N 1 2 349.519 2.380 20 30 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ZINC001065712021 799409978 /nfs/dbraw/zinc/40/99/78/799409978.db2.gz TWMMKANMZKRAII-IRXDYDNUSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)C3(CC)CC3)C2)CC1 ZINC001065713093 799413172 /nfs/dbraw/zinc/41/31/72/799413172.db2.gz LPMNBIMZPKBRIR-KRWDZBQOSA-N 1 2 347.503 2.278 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]([NH2+]Cc2nc([C@@H](C)OCC)no2)[C@@H]1C ZINC001178582347 799522388 /nfs/dbraw/zinc/52/23/88/799522388.db2.gz XLJQXYRNIBUFTI-ZNMIVQPWSA-N 1 2 348.447 2.050 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCc1cnn2c1C[N@H+](CCC[C@@H](C)O)CC2 ZINC001128454090 799588176 /nfs/dbraw/zinc/58/81/76/799588176.db2.gz NUTGTZZQNINRGC-HZPDHXFCSA-N 1 2 348.491 2.078 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCc1cnn2c1C[N@@H+](CCC[C@@H](C)O)CC2 ZINC001128454090 799588178 /nfs/dbraw/zinc/58/81/78/799588178.db2.gz NUTGTZZQNINRGC-HZPDHXFCSA-N 1 2 348.491 2.078 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]([NH2+]Cc2nc([C@@H](C)OC)no2)[C@@H]1C ZINC001178802173 799627513 /nfs/dbraw/zinc/62/75/13/799627513.db2.gz 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/nfs/dbraw/zinc/05/80/13/802058013.db2.gz BWORCXUGVKYDMC-QGZVFWFLSA-N 1 2 341.459 2.138 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066381535 802099252 /nfs/dbraw/zinc/09/92/52/802099252.db2.gz VXYLVPPVMMDALY-RRFJBIMHSA-N 1 2 344.459 2.223 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066381535 802099255 /nfs/dbraw/zinc/09/92/55/802099255.db2.gz VXYLVPPVMMDALY-RRFJBIMHSA-N 1 2 344.459 2.223 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)C1 ZINC001086152130 802314202 /nfs/dbraw/zinc/31/42/02/802314202.db2.gz VILCQPXDVVBFGI-YGSHXTJESA-N 1 2 336.867 2.313 20 30 EEEDLO C[C@@H](Oc1cccnc1)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004542584 802337139 /nfs/dbraw/zinc/33/71/39/802337139.db2.gz MKLFGGSVQMROLL-CRAIPNDOSA-N 1 2 342.443 2.075 20 30 EEEDLO C[C@@H](Oc1cccnc1)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004542584 802337149 /nfs/dbraw/zinc/33/71/49/802337149.db2.gz 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ZINC001004619203 802496185 /nfs/dbraw/zinc/49/61/85/802496185.db2.gz ARIDHVSGCYAJSN-INIZCTEOSA-N 1 2 332.473 2.221 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)sc2C)[C@@H](O)C1 ZINC001090409584 802657824 /nfs/dbraw/zinc/65/78/24/802657824.db2.gz FFLYLQINZUQGAI-KGLIPLIRSA-N 1 2 328.865 2.282 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)sc2C)[C@@H](O)C1 ZINC001090409584 802657825 /nfs/dbraw/zinc/65/78/25/802657825.db2.gz FFLYLQINZUQGAI-KGLIPLIRSA-N 1 2 328.865 2.282 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001066527938 802937882 /nfs/dbraw/zinc/93/78/82/802937882.db2.gz WXVXBJFWMGWTOA-CABCVRRESA-N 1 2 344.459 2.293 20 30 EEEDLO C[C@@H]([NH2+]Cc1noc(C2CC2)n1)[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001004857371 803091252 /nfs/dbraw/zinc/09/12/52/803091252.db2.gz YQTVFQJGBLSWAD-CZUORRHYSA-N 1 2 342.443 2.220 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccc3ccncc32)C1 ZINC001108317755 803267166 /nfs/dbraw/zinc/26/71/66/803267166.db2.gz 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243187720 /nfs/dbraw/zinc/18/77/20/243187720.db2.gz OOCQJRCPXBCHAI-KUHUBIRLSA-N 1 2 345.443 2.333 20 30 EEEDLO C=C(CC)CNC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000455528059 244021283 /nfs/dbraw/zinc/02/12/83/244021283.db2.gz FRNRWELHYHNBPR-QGZVFWFLSA-N 1 2 325.453 2.058 20 30 EEEDLO C#C[C@H]1COCCN1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000491715713 246123615 /nfs/dbraw/zinc/12/36/15/246123615.db2.gz QNULIJQOIYEYPD-HIFRSBDPSA-N 1 2 348.472 2.241 20 30 EEEDLO C#C[C@H]1COCCN1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000491715713 246123623 /nfs/dbraw/zinc/12/36/23/246123623.db2.gz QNULIJQOIYEYPD-HIFRSBDPSA-N 1 2 348.472 2.241 20 30 EEEDLO C[C@H]([C@H](C)Nc1nc(C(F)(F)F)ccc1C#N)[NH+]1CCOCC1 ZINC000265178425 247273793 /nfs/dbraw/zinc/27/37/93/247273793.db2.gz IKIWSUWEKLOGRX-WDEREUQCSA-N 1 2 328.338 2.493 20 30 EEEDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000495642015 269697227 /nfs/dbraw/zinc/69/72/27/269697227.db2.gz RPISQJKZAWAFLI-CQSZACIVSA-N 1 2 345.399 2.055 20 30 EEEDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000495642015 269697228 /nfs/dbraw/zinc/69/72/28/269697228.db2.gz RPISQJKZAWAFLI-CQSZACIVSA-N 1 2 345.399 2.055 20 30 EEEDLO CC(C)n1nccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000268720341 252170201 /nfs/dbraw/zinc/17/02/01/252170201.db2.gz KFSOXJBROAWWHL-UHFFFAOYSA-N 1 2 337.427 2.294 20 30 EEEDLO C#CC[N@@H+](C[C@H](C)c1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000491515634 533133740 /nfs/dbraw/zinc/13/37/40/533133740.db2.gz ORUGEVCEKKQMIE-LRDDRELGSA-N 1 2 327.396 2.191 20 30 EEEDLO C#CC[N@H+](C[C@H](C)c1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000491515634 533133743 /nfs/dbraw/zinc/13/37/43/533133743.db2.gz ORUGEVCEKKQMIE-LRDDRELGSA-N 1 2 327.396 2.191 20 30 EEEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)c1 ZINC000267175766 256034608 /nfs/dbraw/zinc/03/46/08/256034608.db2.gz MXPGJAXZAWAAQS-AWEZNQCLSA-N 1 2 338.411 2.414 20 30 EEEDLO CCc1nnc(N2CC[NH+](Cc3ccncc3)CC2)c(C#N)c1CC ZINC000268127305 256116195 /nfs/dbraw/zinc/11/61/95/256116195.db2.gz AQVQRNKLZCZIHX-UHFFFAOYSA-N 1 2 336.443 2.190 20 30 EEEDLO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000051180044 132179883 /nfs/dbraw/zinc/17/98/83/132179883.db2.gz WJLURHDDIUQDHW-OAHLLOKOSA-N 1 2 344.434 2.220 20 30 EEEDLO N#Cc1cc(F)ccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000119812580 142378537 /nfs/dbraw/zinc/37/85/37/142378537.db2.gz UQBHGORGGUZYOB-UHFFFAOYSA-N 1 2 325.347 2.446 20 30 EEEDLO COc1cc(C#N)ccc1C[NH+]1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000120855091 142399421 /nfs/dbraw/zinc/39/94/21/142399421.db2.gz ONBVTSMHCJFKPC-UHFFFAOYSA-N 1 2 340.427 2.490 20 30 EEEDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000377316278 154139631 /nfs/dbraw/zinc/13/96/31/154139631.db2.gz XABVDCPRFGKELA-UHFFFAOYSA-N 1 2 344.440 2.053 20 30 EEEDLO Cc1nc(SCC(=O)NCc2[nH+]ccn2C)c(C#N)c(C)c1C ZINC000343300347 161121958 /nfs/dbraw/zinc/12/19/58/161121958.db2.gz IDZFGOYKIASJSE-UHFFFAOYSA-N 1 2 329.429 2.021 20 30 EEEDLO CN(Cc1[nH]cc[nH+]1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000352706920 162252626 /nfs/dbraw/zinc/25/26/26/162252626.db2.gz YVGASCLXUHAESC-UHFFFAOYSA-N 1 2 341.390 2.295 20 30 EEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)c2cscc2C#N)C1 ZINC000352887201 162330329 /nfs/dbraw/zinc/33/03/29/162330329.db2.gz JRFKNRAYDKZVAF-KRWDZBQOSA-N 1 2 349.456 2.156 20 30 EEEDLO C[C@]1(C2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)NC(=O)NC1=O ZINC000364344940 165106065 /nfs/dbraw/zinc/10/60/65/165106065.db2.gz BNVDSXIOKZDIKZ-QGZVFWFLSA-N 1 2 346.818 2.022 20 30 EEEDLO COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000375816982 167204745 /nfs/dbraw/zinc/20/47/45/167204745.db2.gz URSJSJOYOJNDRQ-CYBMUJFWSA-N 1 2 326.356 2.032 20 30 EEEDLO C[C@H](c1nncn1C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000376558225 167351395 /nfs/dbraw/zinc/35/13/95/167351395.db2.gz NLVGUEYFSPPRMV-GFCCVEGCSA-N 1 2 329.379 2.430 20 30 EEEDLO N#Cc1ccc(Cl)cc1NC(=O)CSCC[NH+]1CCOCC1 ZINC000159876823 225293998 /nfs/dbraw/zinc/29/39/98/225293998.db2.gz OMUCSKABLNATMV-UHFFFAOYSA-N 1 2 339.848 2.216 20 30 EEEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000287068193 266925696 /nfs/dbraw/zinc/92/56/96/266925696.db2.gz MOTSTQIYTKQJHS-AWEZNQCLSA-N 1 2 347.434 2.154 20 30 EEEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000279250144 268087168 /nfs/dbraw/zinc/08/71/68/268087168.db2.gz ACKXLPKOEBYZJE-ZWKOTPCHSA-N 1 2 345.406 2.031 20 30 EEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(O)(C(F)F)CC2)cc1Cl ZINC000331162755 268139201 /nfs/dbraw/zinc/13/92/01/268139201.db2.gz RVXPJUWBYUARCL-UHFFFAOYSA-N 1 2 343.761 2.242 20 30 EEEDLO Cc1cc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1C#N ZINC000277822481 269187018 /nfs/dbraw/zinc/18/70/18/269187018.db2.gz IWIOPPCWJAQKHK-CQSZACIVSA-N 1 2 330.413 2.158 20 30 EEEDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)[nH]1 ZINC000537563208 318019181 /nfs/dbraw/zinc/01/91/81/318019181.db2.gz WAJPQNOJVJUIIO-OAHLLOKOSA-N 1 2 349.398 2.414 20 30 EEEDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)[nH]1 ZINC000537563208 318019183 /nfs/dbraw/zinc/01/91/83/318019183.db2.gz WAJPQNOJVJUIIO-OAHLLOKOSA-N 1 2 349.398 2.414 20 30 EEEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)n1 ZINC000537563208 318019185 /nfs/dbraw/zinc/01/91/85/318019185.db2.gz WAJPQNOJVJUIIO-OAHLLOKOSA-N 1 2 349.398 2.414 20 30 EEEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)n1 ZINC000537563208 318019188 /nfs/dbraw/zinc/01/91/88/318019188.db2.gz WAJPQNOJVJUIIO-OAHLLOKOSA-N 1 2 349.398 2.414 20 30 EEEDLO Cc1nc([C@@H]2CCC[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)n[nH]1 ZINC000537563208 318019190 /nfs/dbraw/zinc/01/91/90/318019190.db2.gz WAJPQNOJVJUIIO-OAHLLOKOSA-N 1 2 349.398 2.414 20 30 EEEDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)n[nH]1 ZINC000537563208 318019192 /nfs/dbraw/zinc/01/91/92/318019192.db2.gz WAJPQNOJVJUIIO-OAHLLOKOSA-N 1 2 349.398 2.414 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)C1CC1 ZINC000557491813 318682561 /nfs/dbraw/zinc/68/25/61/318682561.db2.gz KIXCRQVVHNOCEA-QGZVFWFLSA-N 1 2 346.394 2.359 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)C1CC1 ZINC000565757050 319210545 /nfs/dbraw/zinc/21/05/45/319210545.db2.gz XMTAMHRWZXJWJR-OAHLLOKOSA-N 1 2 348.403 2.002 20 30 EEEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000576918307 320214786 /nfs/dbraw/zinc/21/47/86/320214786.db2.gz ROEKTYMEPMDTNL-BETUJISGSA-N 1 2 335.835 2.393 20 30 EEEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000576918307 320214789 /nfs/dbraw/zinc/21/47/89/320214789.db2.gz ROEKTYMEPMDTNL-BETUJISGSA-N 1 2 335.835 2.393 20 30 EEEDLO C[C@@H](C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[NH+]1CC(C)C1 ZINC000514613604 448174816 /nfs/dbraw/zinc/17/48/16/448174816.db2.gz KUXCRDXGWLFCMN-LBPRGKRZSA-N 1 2 327.363 2.162 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)C#Cc2ccc3c(c2)OCO3)CC1(C)C ZINC000296170005 465103382 /nfs/dbraw/zinc/10/33/82/465103382.db2.gz LKPGXHBFROZDBM-KRWDZBQOSA-N 1 2 337.379 2.110 20 30 EEEDLO O=C(NCc1cn2ccccc2[nH+]1)N1CC[C@H](C2CCOCC2)C1 ZINC000328817453 465136993 /nfs/dbraw/zinc/13/69/93/465136993.db2.gz GWIDOICPCWKWIB-HNNXBMFYSA-N 1 2 328.416 2.497 20 30 EEEDLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CCCC3=O)C2)sc1C ZINC000328875139 465153992 /nfs/dbraw/zinc/15/39/92/465153992.db2.gz JPRJHPMMMJCMNY-DGCLKSJQSA-N 1 2 336.461 2.433 20 30 EEEDLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CCCC3=O)C2)sc1C ZINC000328875139 465153998 /nfs/dbraw/zinc/15/39/98/465153998.db2.gz JPRJHPMMMJCMNY-DGCLKSJQSA-N 1 2 336.461 2.433 20 30 EEEDLO CC1CCN(c2ccc(CNC(=O)[C@@H]3COCCN3C)c[nH+]2)CC1 ZINC000328972317 465187866 /nfs/dbraw/zinc/18/78/66/465187866.db2.gz VJLGFAFRCPQLTO-INIZCTEOSA-N 1 2 332.448 2.105 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cn(C(C)(C)C)nn1)C1CCOCC1 ZINC000329079726 465226640 /nfs/dbraw/zinc/22/66/40/465226640.db2.gz RBIYNMUKPYMKAU-CQSZACIVSA-N 1 2 346.435 2.239 20 30 EEEDLO C=CC[C@@H](CO)CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000341764561 465258913 /nfs/dbraw/zinc/25/89/13/465258913.db2.gz RMOGCGNWFVEOQN-HZPDHXFCSA-N 1 2 347.459 2.386 20 30 EEEDLO CC[C@H](C)[N@H+](CC(=O)OC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000337248652 465267279 /nfs/dbraw/zinc/26/72/79/465267279.db2.gz PRQJOGNFUSIOPK-WMLDXEAASA-N 1 2 343.427 2.327 20 30 EEEDLO CC[C@H](C)[N@@H+](CC(=O)OC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000337248652 465267283 /nfs/dbraw/zinc/26/72/83/465267283.db2.gz PRQJOGNFUSIOPK-WMLDXEAASA-N 1 2 343.427 2.327 20 30 EEEDLO C[C@H](C1CC1)n1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cn1 ZINC000329235187 465275953 /nfs/dbraw/zinc/27/59/53/465275953.db2.gz IKVKHKBPAXQQNV-CKEIUWERSA-N 1 2 347.463 2.195 20 30 EEEDLO N#CCc1ccccc1S(=O)(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000355879117 465278863 /nfs/dbraw/zinc/27/88/63/465278863.db2.gz GETFWQUKPISTBT-UHFFFAOYSA-N 1 2 339.380 2.134 20 30 EEEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000298035947 465281540 /nfs/dbraw/zinc/28/15/40/465281540.db2.gz GECRPFGTNOTVDR-GOSISDBHSA-N 1 2 340.402 2.190 20 30 EEEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000298035947 465281543 /nfs/dbraw/zinc/28/15/43/465281543.db2.gz GECRPFGTNOTVDR-GOSISDBHSA-N 1 2 340.402 2.190 20 30 EEEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1-c1cc(C)cc(C)c1 ZINC000520819674 468274646 /nfs/dbraw/zinc/27/46/46/468274646.db2.gz JCECZHBXFSGLLV-LJQANCHMSA-N 1 2 339.443 2.371 20 30 EEEDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000329497501 465355148 /nfs/dbraw/zinc/35/51/48/465355148.db2.gz GKQBNPJAUPHWME-JLJPHGGASA-N 1 2 331.416 2.058 20 30 EEEDLO C=C(C)[C@H](c1ccc(F)c(F)c1)N1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000359139248 465381241 /nfs/dbraw/zinc/38/12/41/465381241.db2.gz LKEQPZSEIVJGAI-HUUCEWRRSA-N 1 2 346.337 2.468 20 30 EEEDLO C=C(C)[C@H](c1ccc(F)c(F)c1)N1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000359139248 465381246 /nfs/dbraw/zinc/38/12/46/465381246.db2.gz LKEQPZSEIVJGAI-HUUCEWRRSA-N 1 2 346.337 2.468 20 30 EEEDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2nccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000590695524 468309637 /nfs/dbraw/zinc/30/96/37/468309637.db2.gz QSVVZYBHJIIKLZ-HOTGVXAUSA-N 1 2 343.818 2.485 20 30 EEEDLO C[N@H+]1CCO[C@H]([C@@H](Nc2nccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000590695524 468309643 /nfs/dbraw/zinc/30/96/43/468309643.db2.gz QSVVZYBHJIIKLZ-HOTGVXAUSA-N 1 2 343.818 2.485 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CSCC#N)C[C@H](C)O1 ZINC000046343291 462671623 /nfs/dbraw/zinc/67/16/23/462671623.db2.gz JHMZRRSNFQTYRG-OKILXGFUSA-N 1 2 333.457 2.491 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CSCC#N)C[C@H](C)O1 ZINC000046343291 462671628 /nfs/dbraw/zinc/67/16/28/462671628.db2.gz JHMZRRSNFQTYRG-OKILXGFUSA-N 1 2 333.457 2.491 20 30 EEEDLO C=CC[N@@H+](CCOc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000089893962 462736658 /nfs/dbraw/zinc/73/66/58/462736658.db2.gz ZOTAPADMVPCJRE-AWEZNQCLSA-N 1 2 329.849 2.394 20 30 EEEDLO C=CC[N@H+](CCOc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000089893962 462736665 /nfs/dbraw/zinc/73/66/65/462736665.db2.gz ZOTAPADMVPCJRE-AWEZNQCLSA-N 1 2 329.849 2.394 20 30 EEEDLO C=CC[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccc1F ZINC000065589106 462803730 /nfs/dbraw/zinc/80/37/30/462803730.db2.gz LAROZZZEPALXHP-UHFFFAOYSA-N 1 2 328.391 2.470 20 30 EEEDLO C=CC[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccc1F ZINC000065589106 462803736 /nfs/dbraw/zinc/80/37/36/462803736.db2.gz LAROZZZEPALXHP-UHFFFAOYSA-N 1 2 328.391 2.470 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076181493 462818482 /nfs/dbraw/zinc/81/84/82/462818482.db2.gz GQHWUPUWRBTHKX-OPRDCNLKSA-N 1 2 345.287 2.420 20 30 EEEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+](Cc2ccccc2OC)CC1 ZINC000076343210 462847149 /nfs/dbraw/zinc/84/71/49/462847149.db2.gz DOUCKNQNAIPZLO-UHFFFAOYSA-N 1 2 345.487 2.237 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(Cc2ccccc2OC)CC1 ZINC000076343210 462847155 /nfs/dbraw/zinc/84/71/55/462847155.db2.gz DOUCKNQNAIPZLO-UHFFFAOYSA-N 1 2 345.487 2.237 20 30 EEEDLO C#CCSCCNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000120539987 463010271 /nfs/dbraw/zinc/01/02/71/463010271.db2.gz XQTNWRQEOLAEML-AWEZNQCLSA-N 1 2 341.427 2.233 20 30 EEEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3sccc3C#N)c[nH+]2)CCO1 ZINC000052031122 463059457 /nfs/dbraw/zinc/05/94/57/463059457.db2.gz FYOSHOFYSLYOAP-GFCCVEGCSA-N 1 2 342.424 2.170 20 30 EEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)C[C@@H]21 ZINC000134613267 463061989 /nfs/dbraw/zinc/06/19/89/463061989.db2.gz DCCIWBWJXAEIGQ-JKSUJKDBSA-N 1 2 328.416 2.034 20 30 EEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)C[C@@H]21 ZINC000134613267 463061995 /nfs/dbraw/zinc/06/19/95/463061995.db2.gz DCCIWBWJXAEIGQ-JKSUJKDBSA-N 1 2 328.416 2.034 20 30 EEEDLO N#Cc1ccc(/C=C\C(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000491263040 468336290 /nfs/dbraw/zinc/33/62/90/468336290.db2.gz USHXNTWJKPVTPK-FPLPWBNLSA-N 1 2 332.407 2.311 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157599935 463147477 /nfs/dbraw/zinc/14/74/77/463147477.db2.gz YHNRCNPLSBLQDK-INIZCTEOSA-N 1 2 345.418 2.483 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157599935 463147481 /nfs/dbraw/zinc/14/74/81/463147481.db2.gz YHNRCNPLSBLQDK-INIZCTEOSA-N 1 2 345.418 2.483 20 30 EEEDLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@H+](CC)C[C@@H](C)C#N ZINC000157633703 463151436 /nfs/dbraw/zinc/15/14/36/463151436.db2.gz FVIMAPVMJHEGHK-HNNXBMFYSA-N 1 2 345.443 2.288 20 30 EEEDLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@@H+](CC)C[C@@H](C)C#N ZINC000157633703 463151440 /nfs/dbraw/zinc/15/14/40/463151440.db2.gz FVIMAPVMJHEGHK-HNNXBMFYSA-N 1 2 345.443 2.288 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1cnn(C)c1 ZINC000027216029 463184546 /nfs/dbraw/zinc/18/45/46/463184546.db2.gz YWTHCWYQGHZOJA-LLVKDONJSA-N 1 2 343.456 2.301 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1cnn(C)c1 ZINC000027216029 463184553 /nfs/dbraw/zinc/18/45/53/463184553.db2.gz YWTHCWYQGHZOJA-LLVKDONJSA-N 1 2 343.456 2.301 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)O[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158163593 463211552 /nfs/dbraw/zinc/21/15/52/463211552.db2.gz BBEYZRJBFGJQCG-ZDUSSCGKSA-N 1 2 331.416 2.072 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3nccs3)CC2)cc1 ZINC000079647550 463237967 /nfs/dbraw/zinc/23/79/67/463237967.db2.gz VMFGQVRRMHVOEY-UHFFFAOYSA-N 1 2 341.440 2.042 20 30 EEEDLO N#Cc1ccc(CCC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000054724666 463257262 /nfs/dbraw/zinc/25/72/62/463257262.db2.gz BDYANMJSDJXGKB-UHFFFAOYSA-N 1 2 334.423 2.230 20 30 EEEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccc(C)cc3)oc2=S)CC1 ZINC000029436480 463257568 /nfs/dbraw/zinc/25/75/68/463257568.db2.gz FKNWZULUPOSLLP-UHFFFAOYSA-N 1 2 328.441 2.389 20 30 EEEDLO COC(=O)C1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000096970684 463302327 /nfs/dbraw/zinc/30/23/27/463302327.db2.gz OPVAGMBSTRAYAQ-HNNXBMFYSA-N 1 2 343.427 2.207 20 30 EEEDLO CC(C)S(=O)(=O)CCCO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000123035354 463311522 /nfs/dbraw/zinc/31/15/22/463311522.db2.gz IEQJWKRLHJTEPD-UHFFFAOYSA-N 1 2 332.853 2.385 20 30 EEEDLO N#CC1(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCCC1 ZINC000032413109 463376403 /nfs/dbraw/zinc/37/64/03/463376403.db2.gz BTEKTVPCVPKFTB-UHFFFAOYSA-N 1 2 327.428 2.219 20 30 EEEDLO C=CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1F ZINC000056312322 463391561 /nfs/dbraw/zinc/39/15/61/463391561.db2.gz PLYPCLPNEJRMHU-UHFFFAOYSA-N 1 2 347.312 2.202 20 30 EEEDLO C=CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1F ZINC000056312322 463391562 /nfs/dbraw/zinc/39/15/62/463391562.db2.gz PLYPCLPNEJRMHU-UHFFFAOYSA-N 1 2 347.312 2.202 20 30 EEEDLO C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2cn3ccccc3[nH+]2)C1=O ZINC000071907309 463466497 /nfs/dbraw/zinc/46/64/97/463466497.db2.gz IYMNDYUSPHJHRW-IBGZPJMESA-N 1 2 345.362 2.173 20 30 EEEDLO C[C@@H]1CCN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000151261936 463501850 /nfs/dbraw/zinc/50/18/50/463501850.db2.gz KBAOUAQOTKSRKO-CJNGLKHVSA-N 1 2 330.413 2.027 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000083132527 463535904 /nfs/dbraw/zinc/53/59/04/463535904.db2.gz HTSXRJBNMQHQBQ-GOSISDBHSA-N 1 2 339.395 2.183 20 30 EEEDLO CC(C)CCNC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354509 463558900 /nfs/dbraw/zinc/55/89/00/463558900.db2.gz LRJUSMCQKDKIJX-QGZVFWFLSA-N 1 2 342.487 2.227 20 30 EEEDLO CC(C)CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000042354509 463558905 /nfs/dbraw/zinc/55/89/05/463558905.db2.gz LRJUSMCQKDKIJX-QGZVFWFLSA-N 1 2 342.487 2.227 20 30 EEEDLO Cn1nccc1C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000058326260 463578128 /nfs/dbraw/zinc/57/81/28/463578128.db2.gz UPVAWKDKUKQBGL-UHFFFAOYSA-N 1 2 329.429 2.171 20 30 EEEDLO N#Cc1cccc(C(=O)N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC000084539009 463610794 /nfs/dbraw/zinc/61/07/94/463610794.db2.gz DNJPJFPTOWEYCP-VQTJNVASSA-N 1 2 347.418 2.284 20 30 EEEDLO N#Cc1cccc(C(=O)N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC000084539009 463610798 /nfs/dbraw/zinc/61/07/98/463610798.db2.gz DNJPJFPTOWEYCP-VQTJNVASSA-N 1 2 347.418 2.284 20 30 EEEDLO Cc1nc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)sc1SCC#N ZINC000151932587 463616179 /nfs/dbraw/zinc/61/61/79/463616179.db2.gz WWPIRMLXBYJTNF-SNVBAGLBSA-N 1 2 333.442 2.465 20 30 EEEDLO CCc1nc(CN2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)no1 ZINC000170654271 463689943 /nfs/dbraw/zinc/68/99/43/463689943.db2.gz KVVMOJWFZQEXMT-UHFFFAOYSA-N 1 2 344.846 2.455 20 30 EEEDLO CCOc1ccccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000177506826 463721796 /nfs/dbraw/zinc/72/17/96/463721796.db2.gz FCENGOWLWHKTKF-UHFFFAOYSA-N 1 2 346.431 2.165 20 30 EEEDLO C[C@H]1OCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000276747061 463742072 /nfs/dbraw/zinc/74/20/72/463742072.db2.gz XJJBPEDCRFLRCY-CRAIPNDOSA-N 1 2 327.428 2.018 20 30 EEEDLO C=CCN(Cc1ccccc1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000277399787 463914485 /nfs/dbraw/zinc/91/44/85/463914485.db2.gz FHEADOVICTZTTK-UHFFFAOYSA-N 1 2 329.444 2.249 20 30 EEEDLO N#Cc1ccccc1CSCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000178730738 463954526 /nfs/dbraw/zinc/95/45/26/463954526.db2.gz OKVYOILTKVWUFT-CQSZACIVSA-N 1 2 340.452 2.367 20 30 EEEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000178921134 464014830 /nfs/dbraw/zinc/01/48/30/464014830.db2.gz MRPVASFSENPJRH-UHFFFAOYSA-N 1 2 333.395 2.156 20 30 EEEDLO C#C[C@@H](NC(=O)N1CCC[N@H+](Cc2cscn2)CC1)C(C)(C)C ZINC000288352874 464041658 /nfs/dbraw/zinc/04/16/58/464041658.db2.gz IZGAQIKIHNKQDN-OAHLLOKOSA-N 1 2 334.489 2.408 20 30 EEEDLO C#C[C@@H](NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1)C(C)(C)C ZINC000288352874 464041665 /nfs/dbraw/zinc/04/16/65/464041665.db2.gz IZGAQIKIHNKQDN-OAHLLOKOSA-N 1 2 334.489 2.408 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000289578535 464085349 /nfs/dbraw/zinc/08/53/49/464085349.db2.gz WIYFDPMJGBIWMB-NRFANRHFSA-N 1 2 348.446 2.400 20 30 EEEDLO C#CCC(C)(C)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000187167347 464102516 /nfs/dbraw/zinc/10/25/16/464102516.db2.gz JATCTUYKKKKSAS-UHFFFAOYSA-N 1 2 341.455 2.339 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)NCCc2cccs2)n1 ZINC000279650151 464119905 /nfs/dbraw/zinc/11/99/05/464119905.db2.gz BIHAFKAJKAWGTG-HNNXBMFYSA-N 1 2 344.484 2.147 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NCCc2cccs2)n1 ZINC000279650151 464119909 /nfs/dbraw/zinc/11/99/09/464119909.db2.gz BIHAFKAJKAWGTG-HNNXBMFYSA-N 1 2 344.484 2.147 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)[C@H](C(N)=O)C1 ZINC000187418942 464127962 /nfs/dbraw/zinc/12/79/62/464127962.db2.gz INMKILLRFMBSPX-YGRLFVJLSA-N 1 2 336.233 2.407 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)[C@H](C(N)=O)C1 ZINC000187418942 464127965 /nfs/dbraw/zinc/12/79/65/464127965.db2.gz INMKILLRFMBSPX-YGRLFVJLSA-N 1 2 336.233 2.407 20 30 EEEDLO CC(C)(C)[C@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000279734297 464136949 /nfs/dbraw/zinc/13/69/49/464136949.db2.gz JXVAPNYJCSSERM-DLBZAZTESA-N 1 2 327.428 2.410 20 30 EEEDLO CC(C)(C)[C@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000279734297 464136956 /nfs/dbraw/zinc/13/69/56/464136956.db2.gz JXVAPNYJCSSERM-DLBZAZTESA-N 1 2 327.428 2.410 20 30 EEEDLO CC(C)(CCC#N)C[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000179538007 464153956 /nfs/dbraw/zinc/15/39/56/464153956.db2.gz XJTYPPWJAHSYGJ-UHFFFAOYSA-N 1 2 335.473 2.323 20 30 EEEDLO N#Cc1cccc(Nc2ccc(N3CCN(C(=O)C4CC4)CC3)[nH+]c2)n1 ZINC000270051000 464171119 /nfs/dbraw/zinc/17/11/19/464171119.db2.gz MEWRFBDSDZFQFD-UHFFFAOYSA-N 1 2 348.410 2.150 20 30 EEEDLO NC(=[NH+]OCC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCCO1 ZINC000284535822 464233652 /nfs/dbraw/zinc/23/36/52/464233652.db2.gz VHDOQESRQJKTBI-LLVKDONJSA-N 1 2 331.294 2.112 20 30 EEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000280708678 464237760 /nfs/dbraw/zinc/23/77/60/464237760.db2.gz BCEZTVKKBQRUHW-CRAIPNDOSA-N 1 2 329.448 2.238 20 30 EEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000280719444 464239093 /nfs/dbraw/zinc/23/90/93/464239093.db2.gz BYNMNMVNLXZXKX-MAUKXSAKSA-N 1 2 331.464 2.484 20 30 EEEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)N2CCc3ccccc32)cs1 ZINC000174114692 464362950 /nfs/dbraw/zinc/36/29/50/464362950.db2.gz BHDLRJVBRVJQOK-LLVKDONJSA-N 1 2 344.440 2.261 20 30 EEEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@@H](C)C(=O)NCc1ccccc1F ZINC000174224100 464379790 /nfs/dbraw/zinc/37/97/90/464379790.db2.gz VQIFJNFGRLETKL-OLZOCXBDSA-N 1 2 339.411 2.180 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCCN(c3ccccc3F)C2=O)C1=O ZINC000281423973 464449443 /nfs/dbraw/zinc/44/94/43/464449443.db2.gz RWBJQKRCLDJPHB-IAGOWNOFSA-N 1 2 345.418 2.040 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(c3ccccc3F)C2=O)C1=O ZINC000281423973 464449450 /nfs/dbraw/zinc/44/94/50/464449450.db2.gz RWBJQKRCLDJPHB-IAGOWNOFSA-N 1 2 345.418 2.040 20 30 EEEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000245477885 464485693 /nfs/dbraw/zinc/48/56/93/464485693.db2.gz UVHFDKXVYGXNFJ-DDVPAQIKSA-N 1 2 347.484 2.225 20 30 EEEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000245477885 464485698 /nfs/dbraw/zinc/48/56/98/464485698.db2.gz UVHFDKXVYGXNFJ-DDVPAQIKSA-N 1 2 347.484 2.225 20 30 EEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000285620142 464631064 /nfs/dbraw/zinc/63/10/64/464631064.db2.gz CMRQCXGTFOYCNR-CRAIPNDOSA-N 1 2 341.455 2.423 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000568964444 468413768 /nfs/dbraw/zinc/41/37/68/468413768.db2.gz RMJHTINEGPIFMO-HOTGVXAUSA-N 1 2 328.416 2.136 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000273483853 464717852 /nfs/dbraw/zinc/71/78/52/464717852.db2.gz GLAUSOVDVMDBCZ-QGZVFWFLSA-N 1 2 328.460 2.125 20 30 EEEDLO COc1ccc(C[NH2+][C@@H](C)c2ncn(C)n2)cc1OCCCC#N ZINC000275786638 464789464 /nfs/dbraw/zinc/78/94/64/464789464.db2.gz ISFHSLYRXUMIBK-ZDUSSCGKSA-N 1 2 329.404 2.357 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249016424 464830841 /nfs/dbraw/zinc/83/08/41/464830841.db2.gz PQQZRAMXWPDUPR-PXAZEXFGSA-N 1 2 349.818 2.030 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249016424 464830843 /nfs/dbraw/zinc/83/08/43/464830843.db2.gz PQQZRAMXWPDUPR-PXAZEXFGSA-N 1 2 349.818 2.030 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000579871159 468427234 /nfs/dbraw/zinc/42/72/34/468427234.db2.gz JSCNBRHXTNHSEL-HOTGVXAUSA-N 1 2 329.400 2.375 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1c1ncon1 ZINC000579871159 468427242 /nfs/dbraw/zinc/42/72/42/468427242.db2.gz JSCNBRHXTNHSEL-HOTGVXAUSA-N 1 2 329.400 2.375 20 30 EEEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)cs1 ZINC000267489014 464934335 /nfs/dbraw/zinc/93/43/35/464934335.db2.gz ZBNNXAFSPFGPIN-JTNHKYCSSA-N 1 2 338.477 2.366 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3cc(C)nc(C#N)c3)CC2)no1 ZINC000342993181 465437955 /nfs/dbraw/zinc/43/79/55/465437955.db2.gz KIOGTVMIYIAFNZ-INIZCTEOSA-N 1 2 340.431 2.444 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3cc(C)nc(C#N)c3)CC2)no1 ZINC000342993181 465437963 /nfs/dbraw/zinc/43/79/63/465437963.db2.gz KIOGTVMIYIAFNZ-INIZCTEOSA-N 1 2 340.431 2.444 20 30 EEEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CCC([C@@H]2CCCO2)CC1 ZINC000329927986 465476749 /nfs/dbraw/zinc/47/67/49/465476749.db2.gz XLQNUZUUOYZLLI-HOCLYGCPSA-N 1 2 332.448 2.251 20 30 EEEDLO CC#CC[NH+]1CCN(Cc2nc(=O)c3c(C)c(C)sc3[nH]2)CC1 ZINC000348195446 465484524 /nfs/dbraw/zinc/48/45/24/465484524.db2.gz XHWLXPLYKMIHJI-UHFFFAOYSA-N 1 2 330.457 2.155 20 30 EEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)C[C@H]1CCCCO1 ZINC000329986160 465496577 /nfs/dbraw/zinc/49/65/77/465496577.db2.gz RQMXJNTXYJICMT-SOUVJXGZSA-N 1 2 338.427 2.248 20 30 EEEDLO O=C1OC[C@@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CCN12 ZINC000359976288 465513994 /nfs/dbraw/zinc/51/39/94/465513994.db2.gz HBIJWZMDUGZLHQ-ZDUSSCGKSA-N 1 2 340.301 2.073 20 30 EEEDLO O=C1OC[C@@H]2C[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CCN12 ZINC000359976288 465513998 /nfs/dbraw/zinc/51/39/98/465513998.db2.gz HBIJWZMDUGZLHQ-ZDUSSCGKSA-N 1 2 340.301 2.073 20 30 EEEDLO C=CCc1cc(C[N@H+]2CC[C@@H](OC)C[C@H]2C(=O)OC)cc(OC)c1O ZINC000360002015 465518246 /nfs/dbraw/zinc/51/82/46/465518246.db2.gz XFSIRPSQXUYADL-CVEARBPZSA-N 1 2 349.427 2.282 20 30 EEEDLO C=CCc1cc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C(=O)OC)cc(OC)c1O ZINC000360002015 465518253 /nfs/dbraw/zinc/51/82/53/465518253.db2.gz XFSIRPSQXUYADL-CVEARBPZSA-N 1 2 349.427 2.282 20 30 EEEDLO C[C@@H]1C[N@H+](CC(=O)NCCc2ccc(F)cc2)C[C@@]2(CCOC2)O1 ZINC000330103352 465533764 /nfs/dbraw/zinc/53/37/64/465533764.db2.gz GHHCHBXCRBEEMW-RDTXWAMCSA-N 1 2 336.407 2.205 20 30 EEEDLO C[C@@H]1C[N@@H+](CC(=O)NCCc2ccc(F)cc2)C[C@@]2(CCOC2)O1 ZINC000330103352 465533767 /nfs/dbraw/zinc/53/37/67/465533767.db2.gz GHHCHBXCRBEEMW-RDTXWAMCSA-N 1 2 336.407 2.205 20 30 EEEDLO CC(C)N(C(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1)C(C)C ZINC000299039006 465572226 /nfs/dbraw/zinc/57/22/26/465572226.db2.gz JEJDDJKOOMSMTG-MRXNPFEDSA-N 1 2 343.475 2.109 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CCN(c3cc(NCC4CC4)[nH+]cn3)C2)nc1 ZINC000366186119 465583266 /nfs/dbraw/zinc/58/32/66/465583266.db2.gz NWUHUBVASXLGPU-OAHLLOKOSA-N 1 2 336.399 2.223 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CCN(c3cc(NCC4CC4)nc[nH+]3)C2)nc1 ZINC000366186119 465583275 /nfs/dbraw/zinc/58/32/75/465583275.db2.gz NWUHUBVASXLGPU-OAHLLOKOSA-N 1 2 336.399 2.223 20 30 EEEDLO C[C@H]1CC[S@](=O)CCN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000330247640 465584939 /nfs/dbraw/zinc/58/49/39/465584939.db2.gz LVODHXBVIXWOCP-RZFZLAGVSA-N 1 2 346.456 2.476 20 30 EEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000330313425 465608732 /nfs/dbraw/zinc/60/87/32/465608732.db2.gz OTFOTMAWSUBJFV-VXGBXAGGSA-N 1 2 330.354 2.429 20 30 EEEDLO N#CCC1(CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000362356484 465678624 /nfs/dbraw/zinc/67/86/24/465678624.db2.gz KMAWDWYYAVWZSN-UHFFFAOYSA-N 1 2 342.443 2.012 20 30 EEEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)CCC2 ZINC000371291084 465692125 /nfs/dbraw/zinc/69/21/25/465692125.db2.gz XRCCWVIGPSZUEM-GFCCVEGCSA-N 1 2 348.403 2.058 20 30 EEEDLO C=CCNc1ncc(C(=O)NCc2cn3ccc(C)cc3[nH+]2)s1 ZINC000353252792 465746394 /nfs/dbraw/zinc/74/63/94/465746394.db2.gz URYVXTQZOCJATD-UHFFFAOYSA-N 1 2 327.413 2.627 20 30 EEEDLO N#CC1(CS(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)CCC1 ZINC000554902131 468450712 /nfs/dbraw/zinc/45/07/12/468450712.db2.gz VPKGQZXWUPGSHJ-UHFFFAOYSA-N 1 2 330.413 2.190 20 30 EEEDLO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCOC(C)(C)[C@@H]2C)c1 ZINC000331040698 465909081 /nfs/dbraw/zinc/90/90/81/465909081.db2.gz CWBIBZHHQQAGHX-ZDUSSCGKSA-N 1 2 333.432 2.449 20 30 EEEDLO CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCOC(C)(C)[C@@H]2C)c1 ZINC000331040698 465909088 /nfs/dbraw/zinc/90/90/88/465909088.db2.gz CWBIBZHHQQAGHX-ZDUSSCGKSA-N 1 2 333.432 2.449 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000362808594 466044778 /nfs/dbraw/zinc/04/47/78/466044778.db2.gz LEFGDMOQOFRDMQ-OALUTQOASA-N 1 2 344.455 2.191 20 30 EEEDLO CC#CCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000361521205 466069101 /nfs/dbraw/zinc/06/91/01/466069101.db2.gz ZMKIUVPCRNBLJJ-IAGOWNOFSA-N 1 2 349.862 2.424 20 30 EEEDLO CC#CCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000361521205 466069106 /nfs/dbraw/zinc/06/91/06/466069106.db2.gz ZMKIUVPCRNBLJJ-IAGOWNOFSA-N 1 2 349.862 2.424 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)[S@@]1=O ZINC000361653933 466179890 /nfs/dbraw/zinc/17/98/90/466179890.db2.gz JTAYNFJYEDBHGH-RRXBBDHVSA-N 1 2 342.468 2.300 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)[S@@]1=O ZINC000361653933 466179897 /nfs/dbraw/zinc/17/98/97/466179897.db2.gz JTAYNFJYEDBHGH-RRXBBDHVSA-N 1 2 342.468 2.300 20 30 EEEDLO CCCCCCCS(=O)(=O)N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000367190502 466181065 /nfs/dbraw/zinc/18/10/65/466181065.db2.gz DWNOKNNPBDRVJZ-HNNXBMFYSA-N 1 2 343.493 2.455 20 30 EEEDLO Cc1onc(CC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1C#N ZINC000353865921 466211878 /nfs/dbraw/zinc/21/18/78/466211878.db2.gz AHGNECZXXCYJRE-UHFFFAOYSA-N 1 2 339.330 2.038 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC#Cc2cccc(F)c2)C1 ZINC000581083877 468487780 /nfs/dbraw/zinc/48/77/80/468487780.db2.gz KHNTXPSFFCMXTP-OAHLLOKOSA-N 1 2 326.375 2.110 20 30 EEEDLO CC(C)C(=O)N1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000332295901 466494540 /nfs/dbraw/zinc/49/45/40/466494540.db2.gz KABJFIJCMRZLBF-MRXNPFEDSA-N 1 2 328.416 2.325 20 30 EEEDLO CC(C)C(=O)N1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000332295901 466494545 /nfs/dbraw/zinc/49/45/45/466494545.db2.gz KABJFIJCMRZLBF-MRXNPFEDSA-N 1 2 328.416 2.325 20 30 EEEDLO CCOc1ccc(C[NH+]2CCN(C(=O)NCC3(C#N)CC3)CC2)cc1 ZINC000581584979 468496149 /nfs/dbraw/zinc/49/61/49/468496149.db2.gz QUUVOQMHHAZQKH-UHFFFAOYSA-N 1 2 342.443 2.216 20 30 EEEDLO N#Cc1ccc(Br)c(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1 ZINC000372809245 466598255 /nfs/dbraw/zinc/59/82/55/466598255.db2.gz XFODGSWNYQTIEI-CORIIIEPSA-N 1 2 348.244 2.407 20 30 EEEDLO N#Cc1ccc(Br)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1 ZINC000372809245 466598260 /nfs/dbraw/zinc/59/82/60/466598260.db2.gz XFODGSWNYQTIEI-CORIIIEPSA-N 1 2 348.244 2.407 20 30 EEEDLO Cc1cc(CNC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)cc(C)[nH+]1 ZINC000421425193 466655915 /nfs/dbraw/zinc/65/59/15/466655915.db2.gz YALSFDPACKJUPJ-CQSZACIVSA-N 1 2 336.395 2.064 20 30 EEEDLO N#Cc1ccc(OCCC[N@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000368569976 466672943 /nfs/dbraw/zinc/67/29/43/466672943.db2.gz YRZFPFSSQKBMGB-CQSZACIVSA-N 1 2 327.388 2.030 20 30 EEEDLO N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000368569976 466672947 /nfs/dbraw/zinc/67/29/47/466672947.db2.gz YRZFPFSSQKBMGB-CQSZACIVSA-N 1 2 327.388 2.030 20 30 EEEDLO Cc1ccc2[nH+]c(CN3CCN(c4ccc(C#N)nc4)CC3)cn2c1 ZINC000374566614 466675308 /nfs/dbraw/zinc/67/53/08/466675308.db2.gz RBNDJVSAPGMXLJ-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO Cc1ccc2nc(C[NH+]3CCN(c4ccc(C#N)nc4)CC3)cn2c1 ZINC000374566614 466675315 /nfs/dbraw/zinc/67/53/15/466675315.db2.gz RBNDJVSAPGMXLJ-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1C ZINC000368949964 466706701 /nfs/dbraw/zinc/70/67/01/466706701.db2.gz KVAHXONJGVLMDL-HDMKZQKVSA-N 1 2 329.444 2.059 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1C ZINC000368949964 466706706 /nfs/dbraw/zinc/70/67/06/466706706.db2.gz KVAHXONJGVLMDL-HDMKZQKVSA-N 1 2 329.444 2.059 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)CCCCC1 ZINC000374857324 466757774 /nfs/dbraw/zinc/75/77/74/466757774.db2.gz NPCBEAYUSMXTAK-LJQANCHMSA-N 1 2 345.418 2.062 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)CCCCC1 ZINC000374857324 466757779 /nfs/dbraw/zinc/75/77/79/466757779.db2.gz NPCBEAYUSMXTAK-LJQANCHMSA-N 1 2 345.418 2.062 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C(=O)OC)cc1OC ZINC000374890701 466758531 /nfs/dbraw/zinc/75/85/31/466758531.db2.gz BJSLYOYPNMHECL-HZPDHXFCSA-N 1 2 349.427 2.412 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C(=O)OC)cc1OC ZINC000374890701 466758537 /nfs/dbraw/zinc/75/85/37/466758537.db2.gz BJSLYOYPNMHECL-HZPDHXFCSA-N 1 2 349.427 2.412 20 30 EEEDLO CCOc1ccc(N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)nn1 ZINC000662252217 472042853 /nfs/dbraw/zinc/04/28/53/472042853.db2.gz MKKRFOHFEAEMMN-UHFFFAOYSA-N 1 2 340.402 2.188 20 30 EEEDLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CCC(=O)N(C)CCC#N ZINC000376507719 466916747 /nfs/dbraw/zinc/91/67/47/466916747.db2.gz PYTTXLPJQRLERT-AWEZNQCLSA-N 1 2 344.463 2.074 20 30 EEEDLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000376507719 466916751 /nfs/dbraw/zinc/91/67/51/466916751.db2.gz PYTTXLPJQRLERT-AWEZNQCLSA-N 1 2 344.463 2.074 20 30 EEEDLO COC(=O)[C@@]1(C)CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000412059734 466988631 /nfs/dbraw/zinc/98/86/31/466988631.db2.gz DBIVLBVQVFXRIA-DYVFJYSZSA-N 1 2 347.440 2.000 20 30 EEEDLO COC(=O)[C@@]1(C)CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000412059734 466988636 /nfs/dbraw/zinc/98/86/36/466988636.db2.gz DBIVLBVQVFXRIA-DYVFJYSZSA-N 1 2 347.440 2.000 20 30 EEEDLO C=CCC1(C(=O)N2CC[NH+](C(COC)COC)CC2)CCCCC1 ZINC000412452846 467086333 /nfs/dbraw/zinc/08/63/33/467086333.db2.gz ZVRFHQYDLWWRCT-UHFFFAOYSA-N 1 2 338.492 2.319 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)CCCCC1 ZINC000377773597 467137786 /nfs/dbraw/zinc/13/77/86/467137786.db2.gz XNZXLXAGGADVKQ-NVXWUHKLSA-N 1 2 331.460 2.363 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)CCCCC1 ZINC000377773597 467137789 /nfs/dbraw/zinc/13/77/89/467137789.db2.gz XNZXLXAGGADVKQ-NVXWUHKLSA-N 1 2 331.460 2.363 20 30 EEEDLO C[C@@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000413123888 467174233 /nfs/dbraw/zinc/17/42/33/467174233.db2.gz DJHBKYZXYRPDIK-CQSZACIVSA-N 1 2 330.432 2.029 20 30 EEEDLO CC[N@H+](CCCNS(=O)(=O)c1cccnc1C#N)c1ccccc1 ZINC000428266547 467217371 /nfs/dbraw/zinc/21/73/71/467217371.db2.gz SMYQQYDWWCCGGH-UHFFFAOYSA-N 1 2 344.440 2.148 20 30 EEEDLO CC[N@@H+](CCCNS(=O)(=O)c1cccnc1C#N)c1ccccc1 ZINC000428266547 467217375 /nfs/dbraw/zinc/21/73/75/467217375.db2.gz SMYQQYDWWCCGGH-UHFFFAOYSA-N 1 2 344.440 2.148 20 30 EEEDLO COc1ccc(CCNC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N)cc1OC ZINC000433316284 467317773 /nfs/dbraw/zinc/31/77/73/467317773.db2.gz HYCQKLRUEOBSFD-CQSZACIVSA-N 1 2 347.459 2.233 20 30 EEEDLO COc1ccc(CCNC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N)cc1OC ZINC000433316284 467317774 /nfs/dbraw/zinc/31/77/74/467317774.db2.gz HYCQKLRUEOBSFD-CQSZACIVSA-N 1 2 347.459 2.233 20 30 EEEDLO N#Cc1ccc(CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)s1 ZINC000420613448 467434484 /nfs/dbraw/zinc/43/44/84/467434484.db2.gz YYLNSAFZSIYROL-GFCCVEGCSA-N 1 2 329.429 2.373 20 30 EEEDLO N#Cc1ccc(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)s1 ZINC000420613448 467434488 /nfs/dbraw/zinc/43/44/88/467434488.db2.gz YYLNSAFZSIYROL-GFCCVEGCSA-N 1 2 329.429 2.373 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000454757422 467614142 /nfs/dbraw/zinc/61/41/42/467614142.db2.gz KWTVPLPKPKOCKD-HNNXBMFYSA-N 1 2 344.415 2.411 20 30 EEEDLO CN(C[C@H]1CC[N@H+](Cc2ncc(C#N)cn2)C1)C(=O)OC(C)(C)C ZINC000497261103 467910243 /nfs/dbraw/zinc/91/02/43/467910243.db2.gz LPDOMBRYIALIDY-CYBMUJFWSA-N 1 2 331.420 2.037 20 30 EEEDLO CN(C[C@H]1CC[N@@H+](Cc2ncc(C#N)cn2)C1)C(=O)OC(C)(C)C ZINC000497261103 467910245 /nfs/dbraw/zinc/91/02/45/467910245.db2.gz LPDOMBRYIALIDY-CYBMUJFWSA-N 1 2 331.420 2.037 20 30 EEEDLO Cc1cc(C[NH+]2CCN(C(=O)/C=C\c3cccc(C#N)c3)CC2)on1 ZINC000493509023 467927736 /nfs/dbraw/zinc/92/77/36/467927736.db2.gz BFRMHSMPUVCJBL-WAYWQWQTSA-N 1 2 336.395 2.212 20 30 EEEDLO CCn1cc[nH+]c1/C=C/C(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000493871480 468000675 /nfs/dbraw/zinc/00/06/75/468000675.db2.gz PUOYAIVJVUFREW-CMDGGOBGSA-N 1 2 338.411 2.463 20 30 EEEDLO COc1cc(C#N)ccc1C[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000515958737 468008498 /nfs/dbraw/zinc/00/84/98/468008498.db2.gz BXSKHWTYSATBOK-UHFFFAOYSA-N 1 2 348.468 2.358 20 30 EEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1 ZINC000516488207 468029704 /nfs/dbraw/zinc/02/97/04/468029704.db2.gz AFNUZINONSLPQJ-CYBMUJFWSA-N 1 2 326.404 2.309 20 30 EEEDLO CC(C)CN1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)CCN2C1=O ZINC000488722475 468099272 /nfs/dbraw/zinc/09/92/72/468099272.db2.gz ONYYHBMGABYBNX-MRXNPFEDSA-N 1 2 330.407 2.275 20 30 EEEDLO CC(C)CN1C[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)CCN2C1=O ZINC000488722475 468099276 /nfs/dbraw/zinc/09/92/76/468099276.db2.gz ONYYHBMGABYBNX-MRXNPFEDSA-N 1 2 330.407 2.275 20 30 EEEDLO Cn1nc(C2CC2)nc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000517929305 468101568 /nfs/dbraw/zinc/10/15/68/468101568.db2.gz NLHGHUUKRKADCB-UHFFFAOYSA-N 1 2 336.443 2.276 20 30 EEEDLO Cn1nc(C2CC2)nc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000517929305 468101570 /nfs/dbraw/zinc/10/15/70/468101570.db2.gz NLHGHUUKRKADCB-UHFFFAOYSA-N 1 2 336.443 2.276 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ncc(C#N)cn3)CC[C@@H]21 ZINC000495891731 468106762 /nfs/dbraw/zinc/10/67/62/468106762.db2.gz KWHJJLPAGUUKRN-CABCVRRESA-N 1 2 343.431 2.180 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ncc(C#N)cn3)CC[C@@H]21 ZINC000495891731 468106763 /nfs/dbraw/zinc/10/67/63/468106763.db2.gz KWHJJLPAGUUKRN-CABCVRRESA-N 1 2 343.431 2.180 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000488906710 468111034 /nfs/dbraw/zinc/11/10/34/468111034.db2.gz ZIAHLEZNEABZIK-OAHLLOKOSA-N 1 2 340.427 2.429 20 30 EEEDLO CC(C)(NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1[nH]cc[nH+]1 ZINC000519714890 468199417 /nfs/dbraw/zinc/19/94/17/468199417.db2.gz ZIOFABFRODQWKW-CYBMUJFWSA-N 1 2 341.390 2.298 20 30 EEEDLO N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)C2)nc1 ZINC000590119884 468216570 /nfs/dbraw/zinc/21/65/70/468216570.db2.gz AIJBWYBHMFHJGN-HNNXBMFYSA-N 1 2 348.366 2.286 20 30 EEEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)C3CC3)CC2)cc1OC ZINC000534336167 468254082 /nfs/dbraw/zinc/25/40/82/468254082.db2.gz ZDBGFTZQUMBLNE-UHFFFAOYSA-N 1 2 330.428 2.314 20 30 EEEDLO C#CC[N@@H+](CCSc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490842116 468255864 /nfs/dbraw/zinc/25/58/64/468255864.db2.gz YWABOSUDONCKHO-CQSZACIVSA-N 1 2 327.446 2.040 20 30 EEEDLO C#CC[N@H+](CCSc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490842116 468255866 /nfs/dbraw/zinc/25/58/66/468255866.db2.gz YWABOSUDONCKHO-CQSZACIVSA-N 1 2 327.446 2.040 20 30 EEEDLO Cc1cc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(C#N)c[nH+]1 ZINC000591817826 468526607 /nfs/dbraw/zinc/52/66/07/468526607.db2.gz OTIVBXXOSLEIJS-UHFFFAOYSA-N 1 2 334.383 2.325 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCc1c(F)cccc1F ZINC000592072264 468612229 /nfs/dbraw/zinc/61/22/29/468612229.db2.gz SECAVWXAAMJEQL-CYBMUJFWSA-N 1 2 343.381 2.380 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCc1c(F)cccc1F ZINC000592072264 468612232 /nfs/dbraw/zinc/61/22/32/468612232.db2.gz SECAVWXAAMJEQL-CYBMUJFWSA-N 1 2 343.381 2.380 20 30 EEEDLO CC(C)(C)[C@@H](NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1cccs1 ZINC000592149342 468639366 /nfs/dbraw/zinc/63/93/66/468639366.db2.gz NGRYSQTXIXHBHR-RDJZCZTQSA-N 1 2 335.473 2.302 20 30 EEEDLO CC(C)(C)[C@@H](NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1cccs1 ZINC000592149342 468639371 /nfs/dbraw/zinc/63/93/71/468639371.db2.gz NGRYSQTXIXHBHR-RDJZCZTQSA-N 1 2 335.473 2.302 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)C(C)(C)CO ZINC000597848124 468692759 /nfs/dbraw/zinc/69/27/59/468692759.db2.gz UGXUPEOLJURFSY-AWEZNQCLSA-N 1 2 346.818 2.435 20 30 EEEDLO Cc1nnc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000583551329 468713854 /nfs/dbraw/zinc/71/38/54/468713854.db2.gz CXXHIJRXUZBREH-GFCCVEGCSA-N 1 2 344.806 2.066 20 30 EEEDLO Cc1nnc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1 ZINC000583551329 468713857 /nfs/dbraw/zinc/71/38/57/468713857.db2.gz CXXHIJRXUZBREH-GFCCVEGCSA-N 1 2 344.806 2.066 20 30 EEEDLO Cc1n[nH]c([C@@H]2CC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000583551329 468713861 /nfs/dbraw/zinc/71/38/61/468713861.db2.gz CXXHIJRXUZBREH-GFCCVEGCSA-N 1 2 344.806 2.066 20 30 EEEDLO Cc1n[nH]c([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000583551329 468713864 /nfs/dbraw/zinc/71/38/64/468713864.db2.gz CXXHIJRXUZBREH-GFCCVEGCSA-N 1 2 344.806 2.066 20 30 EEEDLO COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000560698284 468840261 /nfs/dbraw/zinc/84/02/61/468840261.db2.gz IJPTULHOUVRSRQ-GFCCVEGCSA-N 1 2 328.372 2.326 20 30 EEEDLO COC(=O)[C@@]1([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC[C@@H](C)CC1 ZINC000595714893 468966304 /nfs/dbraw/zinc/96/63/04/468966304.db2.gz VOLUAIQJSNUHIU-IDHHARJASA-N 1 2 346.427 2.009 20 30 EEEDLO Cc1cccn2cc(CCNC(=O)CNc3ccc(C#N)cc3)[nH+]c12 ZINC000610446140 468970935 /nfs/dbraw/zinc/97/09/35/468970935.db2.gz ODVMHQGCNVPMPB-UHFFFAOYSA-N 1 2 333.395 2.285 20 30 EEEDLO C[N@@H+](Cc1ccc(Br)cc1C#N)C[C@@H]1COCCO1 ZINC000595738721 468980086 /nfs/dbraw/zinc/98/00/86/468980086.db2.gz XQANTIDXJZGGKZ-CQSZACIVSA-N 1 2 325.206 2.168 20 30 EEEDLO C[N@H+](Cc1ccc(Br)cc1C#N)C[C@@H]1COCCO1 ZINC000595738721 468980092 /nfs/dbraw/zinc/98/00/92/468980092.db2.gz XQANTIDXJZGGKZ-CQSZACIVSA-N 1 2 325.206 2.168 20 30 EEEDLO COc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000595758829 468992164 /nfs/dbraw/zinc/99/21/64/468992164.db2.gz IACRTLXOMNTJPZ-KUHUBIRLSA-N 1 2 329.444 2.496 20 30 EEEDLO COc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000595758829 468992167 /nfs/dbraw/zinc/99/21/67/468992167.db2.gz IACRTLXOMNTJPZ-KUHUBIRLSA-N 1 2 329.444 2.496 20 30 EEEDLO CCc1oc(C(=O)OC)cc1C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000610542922 468998386 /nfs/dbraw/zinc/99/83/86/468998386.db2.gz KIWMFSLISKCZMY-HNNXBMFYSA-N 1 2 333.432 2.294 20 30 EEEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cnccn2)CC1 ZINC000572937836 469022791 /nfs/dbraw/zinc/02/27/91/469022791.db2.gz NCNZJIHVFVTCRN-UHFFFAOYSA-N 1 2 330.395 2.219 20 30 EEEDLO COC1(c2nc(CC(F)(F)F)no2)CC[NH+](CC2(C#N)CC2)CC1 ZINC000585755219 469025340 /nfs/dbraw/zinc/02/53/40/469025340.db2.gz GKVQFOLNGIPCCV-UHFFFAOYSA-N 1 2 344.337 2.416 20 30 EEEDLO N#Cc1cccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000601851394 469057329 /nfs/dbraw/zinc/05/73/29/469057329.db2.gz MFZWRMSBOCESRE-UHFFFAOYSA-N 1 2 338.436 2.436 20 30 EEEDLO N#Cc1ccc(CSCC(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000598946340 469061037 /nfs/dbraw/zinc/06/10/37/469061037.db2.gz HEKJWISDWCOPIE-HNNXBMFYSA-N 1 2 326.425 2.119 20 30 EEEDLO C[C@@H](NC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccccc1Cl ZINC000611174377 469181590 /nfs/dbraw/zinc/18/15/90/469181590.db2.gz HOHOZKGGIORKEE-CQSZACIVSA-N 1 2 334.851 2.048 20 30 EEEDLO CC(C)[C@@H](CNC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccccc1 ZINC000611175022 469181904 /nfs/dbraw/zinc/18/19/04/469181904.db2.gz VJUACLNPGDAHRR-LJQANCHMSA-N 1 2 342.487 2.074 20 30 EEEDLO CCC[C@H](NC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccccc1 ZINC000611174803 469182262 /nfs/dbraw/zinc/18/22/62/469182262.db2.gz QIZOXONPVFXXLM-SFHVURJKSA-N 1 2 328.460 2.175 20 30 EEEDLO CCN(C(=O)C[NH+]1CCN(CCC#N)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000611174938 469182273 /nfs/dbraw/zinc/18/22/73/469182273.db2.gz PNIZXZZAQNQNBJ-INIZCTEOSA-N 1 2 346.450 2.266 20 30 EEEDLO Cc1ccc(F)c(N2CCC[C@@H]([NH+]3CCN(CCC#N)CC3)C2=O)c1 ZINC000611175008 469182460 /nfs/dbraw/zinc/18/24/60/469182460.db2.gz RJSRVTNWDVZKLD-QGZVFWFLSA-N 1 2 344.434 2.161 20 30 EEEDLO Cn1ncc(C#N)c1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000596186282 469192159 /nfs/dbraw/zinc/19/21/59/469192159.db2.gz POIUOLKNAIPZQD-UHFFFAOYSA-N 1 2 332.411 2.294 20 30 EEEDLO C[C@@H](C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)[NH+]1CCOCC1 ZINC000563385681 469237862 /nfs/dbraw/zinc/23/78/62/469237862.db2.gz LZNOQHWCBIRBPG-JQHSSLGASA-N 1 2 327.428 2.005 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000611432329 469249026 /nfs/dbraw/zinc/24/90/26/469249026.db2.gz SZDQADWDOOKYHU-FUHWJXTLSA-N 1 2 334.508 2.332 20 30 EEEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1CCC(C)(C)C#N ZINC000611462642 469254003 /nfs/dbraw/zinc/25/40/03/469254003.db2.gz YVPKVBFTTZYDKZ-INIZCTEOSA-N 1 2 325.416 2.056 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1N(C[C@@H](O)COc2ccccc2C#N)CC1(C)C ZINC000599433633 469254216 /nfs/dbraw/zinc/25/42/16/469254216.db2.gz JPJKVWYXFURUBC-NVXWUHKLSA-N 1 2 340.427 2.115 20 30 EEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000565174483 469268756 /nfs/dbraw/zinc/26/87/56/469268756.db2.gz WXXOPNILQQVBQF-HNNXBMFYSA-N 1 2 337.345 2.455 20 30 EEEDLO Cn1ncc(C2CC2)c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000596657379 469324952 /nfs/dbraw/zinc/32/49/52/469324952.db2.gz RRKNQMFAZKPDDS-UHFFFAOYSA-N 1 2 349.438 2.127 20 30 EEEDLO Cc1nccc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000603833944 469434705 /nfs/dbraw/zinc/43/47/05/469434705.db2.gz AERULAZJTGLMFN-INIZCTEOSA-N 1 2 335.411 2.475 20 30 EEEDLO Cc1nccc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000603833944 469434708 /nfs/dbraw/zinc/43/47/08/469434708.db2.gz AERULAZJTGLMFN-INIZCTEOSA-N 1 2 335.411 2.475 20 30 EEEDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c1 ZINC000612346596 469443774 /nfs/dbraw/zinc/44/37/74/469443774.db2.gz KSZZSJNTVWBQGJ-UHFFFAOYSA-N 1 2 347.382 2.039 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634304256 470243116 /nfs/dbraw/zinc/24/31/16/470243116.db2.gz ZIUWVRDEXRHQLK-SFHVURJKSA-N 1 2 349.500 2.480 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2cc(Cl)ccc2F)nn1 ZINC000640912951 471115797 /nfs/dbraw/zinc/11/57/97/471115797.db2.gz CQTQLKQQGLXDQM-LLVKDONJSA-N 1 2 349.797 2.383 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1C[C@@H]2CCC[C@H]2C1 ZINC000669015007 471349321 /nfs/dbraw/zinc/34/93/21/471349321.db2.gz XCMKJTDDJHGDNF-VGWMRTNUSA-N 1 2 331.464 2.092 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1C[C@@H]2CCC[C@H]2C1 ZINC000669015007 471349325 /nfs/dbraw/zinc/34/93/25/471349325.db2.gz XCMKJTDDJHGDNF-VGWMRTNUSA-N 1 2 331.464 2.092 20 30 EEEDLO CCC#C[C@@H](C)n1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000665686617 472137254 /nfs/dbraw/zinc/13/72/54/472137254.db2.gz ZRJLLHORYRPGOW-WBVHZDCISA-N 1 2 325.416 2.221 20 30 EEEDLO CCC#C[C@@H](C)n1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000665686617 472137256 /nfs/dbraw/zinc/13/72/56/472137256.db2.gz ZRJLLHORYRPGOW-WBVHZDCISA-N 1 2 325.416 2.221 20 30 EEEDLO C=CCN1CC[C@H]([NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)C1=O ZINC000685001476 486060617 /nfs/dbraw/zinc/06/06/17/486060617.db2.gz JDSIOEVBQTZNHD-BBBLOLIVSA-N 1 2 330.272 2.446 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000685783796 486184724 /nfs/dbraw/zinc/18/47/24/486184724.db2.gz YBZHAIOVLKGEPD-RDTXWAMCSA-N 1 2 335.448 2.158 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000685783796 486184732 /nfs/dbraw/zinc/18/47/32/486184732.db2.gz YBZHAIOVLKGEPD-RDTXWAMCSA-N 1 2 335.448 2.158 20 30 EEEDLO C=CC[N@@H+](CCOC)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000191121840 526304234 /nfs/dbraw/zinc/30/42/34/526304234.db2.gz ZNDFFXPCECCYHN-CYBMUJFWSA-N 1 2 327.222 2.110 20 30 EEEDLO C=CC[N@H+](CCOC)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000191121840 526304240 /nfs/dbraw/zinc/30/42/40/526304240.db2.gz ZNDFFXPCECCYHN-CYBMUJFWSA-N 1 2 327.222 2.110 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(OCCC)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000092361501 526340527 /nfs/dbraw/zinc/34/05/27/526340527.db2.gz IXHFKXQNRKSEAS-HNNXBMFYSA-N 1 2 339.457 2.356 20 30 EEEDLO C=CC[N@H+](Cc1ccc(OCCC)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000092361501 526340528 /nfs/dbraw/zinc/34/05/28/526340528.db2.gz IXHFKXQNRKSEAS-HNNXBMFYSA-N 1 2 339.457 2.356 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000153151368 526536981 /nfs/dbraw/zinc/53/69/81/526536981.db2.gz SKSVDEFRDPLUOG-QGZVFWFLSA-N 1 2 330.476 2.012 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000153151368 526536989 /nfs/dbraw/zinc/53/69/89/526536989.db2.gz SKSVDEFRDPLUOG-QGZVFWFLSA-N 1 2 330.476 2.012 20 30 EEEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000376068472 526587552 /nfs/dbraw/zinc/58/75/52/526587552.db2.gz OHGOKMFHVRTAJD-UHFFFAOYSA-N 1 2 349.381 2.456 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(N(C)C(C)=O)CC2)c1C ZINC000112544242 527293812 /nfs/dbraw/zinc/29/38/12/527293812.db2.gz VQCDXVAFPRUBGS-UHFFFAOYSA-N 1 2 331.460 2.416 20 30 EEEDLO CC(C)c1ccc(C[NH+]2CCN(S(=O)(=O)[C@@H](C)C#N)CC2)cc1 ZINC000416375633 528091820 /nfs/dbraw/zinc/09/18/20/528091820.db2.gz UFMQJORRSLFIKA-HNNXBMFYSA-N 1 2 335.473 2.169 20 30 EEEDLO CC(C)c1[nH+]c2c(n1C)CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000106373597 528325841 /nfs/dbraw/zinc/32/58/41/528325841.db2.gz ZMBKIYUNCFUWBK-LIRRHRJNSA-N 1 2 345.491 2.345 20 30 EEEDLO C=CCN(Cc1ccccc1F)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726255991 576251078 /nfs/dbraw/zinc/25/10/78/576251078.db2.gz XACIADGTGZEANB-HNNXBMFYSA-N 1 2 335.423 2.244 20 30 EEEDLO C=CCN(Cc1ccccc1F)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726255991 576251081 /nfs/dbraw/zinc/25/10/81/576251081.db2.gz XACIADGTGZEANB-HNNXBMFYSA-N 1 2 335.423 2.244 20 30 EEEDLO CN(C)c1ccc(C=[NH+]NC(=S)NCCc2ccccn2)cc1F ZINC000727651342 576442550 /nfs/dbraw/zinc/44/25/50/576442550.db2.gz UXKPKFCLGIMASK-UHFFFAOYSA-N 1 2 345.447 2.327 20 30 EEEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CNc1ccc(C#N)cc1 ZINC000729337358 576634127 /nfs/dbraw/zinc/63/41/27/576634127.db2.gz DTIVADRWZWILCR-INIZCTEOSA-N 1 2 325.416 2.398 20 30 EEEDLO N#Cc1cccc(-c2nnc(CO[NH+]=C(N)Cc3cccnc3)o2)c1 ZINC000771674686 577225398 /nfs/dbraw/zinc/22/53/98/577225398.db2.gz PRSOZDLODUNFIO-UHFFFAOYSA-N 1 2 334.339 2.244 20 30 EEEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)[C@@H]1CCCO1 ZINC000773553940 577350403 /nfs/dbraw/zinc/35/04/03/577350403.db2.gz DCIWRZCZBAYBDY-XIRDDKMYSA-N 1 2 347.484 2.317 20 30 EEEDLO O=S(=O)(Cc1[nH+]ccn1CC(F)(F)F)CC(F)(F)C(F)F ZINC000773746749 577362494 /nfs/dbraw/zinc/36/24/94/577362494.db2.gz OOUXBPZOKIAHOT-UHFFFAOYSA-N 1 2 342.236 2.261 20 30 EEEDLO COc1ccc(N[NH+]=Cc2cnc(N3CCCC3)nc2)c([N+](=O)[O-])c1 ZINC000767798849 577545058 /nfs/dbraw/zinc/54/50/58/577545058.db2.gz ZOAOLWALOOQOMY-UHFFFAOYSA-N 1 2 342.359 2.440 20 30 EEEDLO CC(N=Nc1ncc(F)cn1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000760246095 577659398 /nfs/dbraw/zinc/65/93/98/577659398.db2.gz FAMXHDPFPQIMSQ-MRXNPFEDSA-N 1 2 329.379 2.477 20 30 EEEDLO C[C@H]1CC(N=Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)C[N@@H+]1C ZINC000761805426 577689435 /nfs/dbraw/zinc/68/94/35/577689435.db2.gz CXXVNIHZFGLTBQ-VIFPVBQESA-N 1 2 335.351 2.472 20 30 EEEDLO C[C@H]1CC(N=Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)C[N@H+]1C ZINC000761805426 577689436 /nfs/dbraw/zinc/68/94/36/577689436.db2.gz CXXVNIHZFGLTBQ-VIFPVBQESA-N 1 2 335.351 2.472 20 30 EEEDLO C[N@H+](CCc1nccs1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000753275708 577784373 /nfs/dbraw/zinc/78/43/73/577784373.db2.gz AWXJZPGDYFIVFX-UHFFFAOYSA-N 1 2 339.424 2.051 20 30 EEEDLO C[N@@H+](CCc1nccs1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000753275708 577784374 /nfs/dbraw/zinc/78/43/74/577784374.db2.gz AWXJZPGDYFIVFX-UHFFFAOYSA-N 1 2 339.424 2.051 20 30 EEEDLO C#CCNC(=O)C[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC000755207198 577821854 /nfs/dbraw/zinc/82/18/54/577821854.db2.gz QUJFZOPORDRXBP-UHFFFAOYSA-N 1 2 329.625 2.284 20 30 EEEDLO C#CCNC(=O)C[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000755207198 577821855 /nfs/dbraw/zinc/82/18/55/577821855.db2.gz QUJFZOPORDRXBP-UHFFFAOYSA-N 1 2 329.625 2.284 20 30 EEEDLO COC(=O)c1cccc(CO[NH+]=C(N)c2cccc(OC)c2)c1C#N ZINC000755820603 577832342 /nfs/dbraw/zinc/83/23/42/577832342.db2.gz XDAQNEVVJDRNIW-UHFFFAOYSA-N 1 2 339.351 2.400 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000742920494 577877926 /nfs/dbraw/zinc/87/79/26/577877926.db2.gz DYGASACWROMJCQ-DOMZBBRYSA-N 1 2 342.374 2.151 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000742920494 577877927 /nfs/dbraw/zinc/87/79/27/577877927.db2.gz DYGASACWROMJCQ-DOMZBBRYSA-N 1 2 342.374 2.151 20 30 EEEDLO NC(=[NH+]OCC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(F)cc1 ZINC000747826293 577950775 /nfs/dbraw/zinc/95/07/75/577950775.db2.gz GLKIOQZHGJWTGM-OAHLLOKOSA-N 1 2 343.358 2.103 20 30 EEEDLO C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000741148196 578113696 /nfs/dbraw/zinc/11/36/96/578113696.db2.gz YPOFNOIASKRPIF-RDJZCZTQSA-N 1 2 343.427 2.349 20 30 EEEDLO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000741148196 578113697 /nfs/dbraw/zinc/11/36/97/578113697.db2.gz YPOFNOIASKRPIF-RDJZCZTQSA-N 1 2 343.427 2.349 20 30 EEEDLO CC#CCCCC(=O)N(C)CCCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001067715046 674956246 /nfs/dbraw/zinc/95/62/46/674956246.db2.gz HUHOXPNLYBKCKH-UHFFFAOYSA-N 1 2 346.475 2.164 20 30 EEEDLO CCn1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3C#N)C2)cn1 ZINC000969410476 674963238 /nfs/dbraw/zinc/96/32/38/674963238.db2.gz QYLPUZSGNGFIGS-AWEZNQCLSA-N 1 2 337.427 2.025 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@H](C)C2C[NH+](Cc3ccccc3C#N)C2)c1C ZINC000969421539 674984621 /nfs/dbraw/zinc/98/46/21/674984621.db2.gz XTJZFJHMCPCDGR-CQSZACIVSA-N 1 2 337.427 2.149 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnc3cc(C)ccn32)C1 ZINC000969734902 675175204 /nfs/dbraw/zinc/17/52/04/675175204.db2.gz SLGBKESTNJZHMW-CYBMUJFWSA-N 1 2 332.835 2.445 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC000970448157 675902162 /nfs/dbraw/zinc/90/21/62/675902162.db2.gz XCRRHCIFTCJJJD-MAZHCROVSA-N 1 2 349.862 2.263 20 30 EEEDLO C=C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1)c1ccccc1 ZINC000970777736 676145989 /nfs/dbraw/zinc/14/59/89/676145989.db2.gz VDGUTTJCQSWVHE-HUUCEWRRSA-N 1 2 328.441 2.198 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC000969818649 675230507 /nfs/dbraw/zinc/23/05/07/675230507.db2.gz OYVTZHRRCLJPLD-GFCCVEGCSA-N 1 2 345.834 2.274 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ocnc2C(F)(F)F)C1 ZINC000970215549 675714524 /nfs/dbraw/zinc/71/45/24/675714524.db2.gz ZZENRSABNOXTAK-MRVPVSSYSA-N 1 2 337.729 2.496 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccnc3ccncc32)C1 ZINC000970217743 675725456 /nfs/dbraw/zinc/72/54/56/675725456.db2.gz RJHZAXCQZIOZGP-LBPRGKRZSA-N 1 2 330.819 2.432 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)C2C[NH+](Cc3cncc(OC)n3)C2)CC1 ZINC000970378330 675831303 /nfs/dbraw/zinc/83/13/03/675831303.db2.gz VPVCQDBSMXAQPX-AWEZNQCLSA-N 1 2 344.459 2.168 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3occc3C(C)C)CC2)C1 ZINC000949446809 676316839 /nfs/dbraw/zinc/31/68/39/676316839.db2.gz DPJYFEVPROXGKG-UHFFFAOYSA-N 1 2 330.428 2.343 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3occc3C(C)C)CC2)C1 ZINC000949446809 676316840 /nfs/dbraw/zinc/31/68/40/676316840.db2.gz DPJYFEVPROXGKG-UHFFFAOYSA-N 1 2 330.428 2.343 20 30 EEEDLO C[N@H+](Cc1ccncc1Cl)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971368183 676505282 /nfs/dbraw/zinc/50/52/82/676505282.db2.gz ZJZYOWLZJMVDDR-CQSZACIVSA-N 1 2 343.818 2.281 20 30 EEEDLO C[N@@H+](Cc1ccncc1Cl)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971368183 676505285 /nfs/dbraw/zinc/50/52/85/676505285.db2.gz ZJZYOWLZJMVDDR-CQSZACIVSA-N 1 2 343.818 2.281 20 30 EEEDLO C[N@H+](Cc1ncc(C2CC2)o1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971371224 676506843 /nfs/dbraw/zinc/50/68/43/676506843.db2.gz DRXPYBYJSPKJEB-OAHLLOKOSA-N 1 2 339.399 2.098 20 30 EEEDLO C[N@@H+](Cc1ncc(C2CC2)o1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971371224 676506844 /nfs/dbraw/zinc/50/68/44/676506844.db2.gz DRXPYBYJSPKJEB-OAHLLOKOSA-N 1 2 339.399 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N#Cc1ccccc1CN1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001687434430 1190732816 /nfs/dbraw/zinc/73/28/16/1190732816.db2.gz AXDGXQMJCOFOSX-UHFFFAOYSA-N 1 2 345.406 2.393 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1[nH]nc2c1cccc2OC ZINC001485306887 1191736698 /nfs/dbraw/zinc/73/66/98/1191736698.db2.gz DQZHXNCBLYZBMV-LLVKDONJSA-N 1 2 336.823 2.374 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1[nH]nc2c1cccc2OC ZINC001485306887 1191736700 /nfs/dbraw/zinc/73/67/00/1191736700.db2.gz DQZHXNCBLYZBMV-LLVKDONJSA-N 1 2 336.823 2.374 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001033875396 1195411731 /nfs/dbraw/zinc/41/17/31/1195411731.db2.gz SIWLURQHEMTDMS-CABCVRRESA-N 1 2 336.867 2.121 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001033875396 1195411732 /nfs/dbraw/zinc/41/17/32/1195411732.db2.gz SIWLURQHEMTDMS-CABCVRRESA-N 1 2 336.867 2.121 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2cncc3nc[nH]c32)CC1 ZINC001005421182 1195428042 /nfs/dbraw/zinc/42/80/42/1195428042.db2.gz JSHGLIZQBPOJOQ-UHFFFAOYSA-N 1 2 333.823 2.247 20 30 EEEDLO CCN(C(=O)c1cnco1)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033908718 1195482247 /nfs/dbraw/zinc/48/22/47/1195482247.db2.gz YUVCKUCQFJCOSA-HNNXBMFYSA-N 1 2 342.374 2.422 20 30 EEEDLO CCN(C(=O)c1cnco1)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033908718 1195482252 /nfs/dbraw/zinc/48/22/52/1195482252.db2.gz YUVCKUCQFJCOSA-HNNXBMFYSA-N 1 2 342.374 2.422 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cnc3c(c2)ncn3C)C1 ZINC001033918371 1195500194 /nfs/dbraw/zinc/50/01/94/1195500194.db2.gz BYIDFOBLJIAEMS-CQSZACIVSA-N 1 2 347.850 2.257 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnc3c(c2)ncn3C)C1 ZINC001033918371 1195500196 /nfs/dbraw/zinc/50/01/96/1195500196.db2.gz BYIDFOBLJIAEMS-CQSZACIVSA-N 1 2 347.850 2.257 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2Cc3ccncc3C2)C1 ZINC001033958501 1195560294 /nfs/dbraw/zinc/56/02/94/1195560294.db2.gz PYUKLRXDMXIMJJ-NVXWUHKLSA-N 1 2 333.863 2.472 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2Cc3ccncc3C2)C1 ZINC001033958501 1195560296 /nfs/dbraw/zinc/56/02/96/1195560296.db2.gz PYUKLRXDMXIMJJ-NVXWUHKLSA-N 1 2 333.863 2.472 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cn(C(C)C)nn2)C1 ZINC001034002030 1195624679 /nfs/dbraw/zinc/62/46/79/1195624679.db2.gz RJTJCNOSGODJLC-CYBMUJFWSA-N 1 2 325.844 2.148 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cn(C(C)C)nn2)C1 ZINC001034002030 1195624681 /nfs/dbraw/zinc/62/46/81/1195624681.db2.gz RJTJCNOSGODJLC-CYBMUJFWSA-N 1 2 325.844 2.148 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001108110737 1195664438 /nfs/dbraw/zinc/66/44/38/1195664438.db2.gz SYXIEKZUEXMXNM-LJQANCHMSA-N 1 2 343.427 2.183 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001108110737 1195664439 /nfs/dbraw/zinc/66/44/39/1195664439.db2.gz SYXIEKZUEXMXNM-LJQANCHMSA-N 1 2 343.427 2.183 20 30 EEEDLO CCc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001034163961 1195880503 /nfs/dbraw/zinc/88/05/03/1195880503.db2.gz PNBJGSORPDVZQI-CQSZACIVSA-N 1 2 341.415 2.221 20 30 EEEDLO CCc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001034163961 1195880504 /nfs/dbraw/zinc/88/05/04/1195880504.db2.gz PNBJGSORPDVZQI-CQSZACIVSA-N 1 2 341.415 2.221 20 30 EEEDLO O=C(N[C@H]1CCCC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1cnco1 ZINC001034332443 1196102189 /nfs/dbraw/zinc/10/21/89/1196102189.db2.gz IBPYEPPXAWVRCZ-KRWDZBQOSA-N 1 2 341.386 2.450 20 30 EEEDLO O=C(N[C@H]1CCCC[N@H+](CC#Cc2ccc(F)cc2)C1)c1cnco1 ZINC001034332443 1196102191 /nfs/dbraw/zinc/10/21/91/1196102191.db2.gz IBPYEPPXAWVRCZ-KRWDZBQOSA-N 1 2 341.386 2.450 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnn3cc(C)cnc23)C1 ZINC001034422519 1196199497 /nfs/dbraw/zinc/19/94/97/1196199497.db2.gz AVVVVTORTAIALX-AWEZNQCLSA-N 1 2 347.850 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnn3cc(C)cnc23)C1 ZINC001034422519 1196199502 /nfs/dbraw/zinc/19/95/02/1196199502.db2.gz AVVVVTORTAIALX-AWEZNQCLSA-N 1 2 347.850 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cn(CC3CC3)nn2)C1 ZINC001034463492 1196242043 /nfs/dbraw/zinc/24/20/43/1196242043.db2.gz UUSKUDBRANETSZ-CQSZACIVSA-N 1 2 337.855 2.025 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cn(CC3CC3)nn2)C1 ZINC001034463492 1196242045 /nfs/dbraw/zinc/24/20/45/1196242045.db2.gz UUSKUDBRANETSZ-CQSZACIVSA-N 1 2 337.855 2.025 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2c3c(nn2C)CCC3)C1 ZINC001034489268 1196299750 /nfs/dbraw/zinc/29/97/50/1196299750.db2.gz BECWTUTWMKSKTI-ZDUSSCGKSA-N 1 2 336.867 2.246 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2c3c(nn2C)CCC3)C1 ZINC001034489268 1196299754 /nfs/dbraw/zinc/29/97/54/1196299754.db2.gz BECWTUTWMKSKTI-ZDUSSCGKSA-N 1 2 336.867 2.246 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(F)c3ccncc23)C1 ZINC001108153471 1196692491 /nfs/dbraw/zinc/69/24/91/1196692491.db2.gz PFUCZSDFORQJFT-IBGZPJMESA-N 1 2 343.402 2.381 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(F)c3ccncc23)C1 ZINC001108153471 1196692494 /nfs/dbraw/zinc/69/24/94/1196692494.db2.gz PFUCZSDFORQJFT-IBGZPJMESA-N 1 2 343.402 2.381 20 30 EEEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(=O)ccoc2c1 ZINC001018177823 1224431276 /nfs/dbraw/zinc/43/12/76/1224431276.db2.gz ISWYXZVNOOUMFK-IYBDPMFKSA-N 1 2 336.391 2.105 20 30 EEEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(=O)ccoc2c1 ZINC001018177823 1224431282 /nfs/dbraw/zinc/43/12/82/1224431282.db2.gz ISWYXZVNOOUMFK-IYBDPMFKSA-N 1 2 336.391 2.105 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n(CC2CC2)c1C ZINC001018186032 1224439260 /nfs/dbraw/zinc/43/92/60/1224439260.db2.gz SWYJYNBBXMYDKN-HDICACEKSA-N 1 2 325.456 2.437 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n(CC2CC2)c1C ZINC001018186032 1224439266 /nfs/dbraw/zinc/43/92/66/1224439266.db2.gz SWYJYNBBXMYDKN-HDICACEKSA-N 1 2 325.456 2.437 20 30 EEEDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C#N)cc1F ZINC001273303566 1197999713 /nfs/dbraw/zinc/99/97/13/1197999713.db2.gz MGLVSGFKAHHXOD-JBBXEZCESA-N 1 2 343.402 2.240 20 30 EEEDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C#N)cc1F ZINC001273303566 1197999718 /nfs/dbraw/zinc/99/97/18/1197999718.db2.gz MGLVSGFKAHHXOD-JBBXEZCESA-N 1 2 343.402 2.240 20 30 EEEDLO N#Cc1cc([N+](=O)[O-])c(N2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000865401504 1198197915 /nfs/dbraw/zinc/19/79/15/1198197915.db2.gz BIDSDPKNYIUKSN-UHFFFAOYSA-N 1 2 327.319 2.327 20 30 EEEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Cl)nn1 ZINC001273346503 1198261645 /nfs/dbraw/zinc/26/16/45/1198261645.db2.gz KAIXRMRECBWQJG-QGZVFWFLSA-N 1 2 347.850 2.391 20 30 EEEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Cl)nn1 ZINC001273346503 1198261650 /nfs/dbraw/zinc/26/16/50/1198261650.db2.gz KAIXRMRECBWQJG-QGZVFWFLSA-N 1 2 347.850 2.391 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cnc(SCC)nc2)C1=O ZINC001273375422 1198395774 /nfs/dbraw/zinc/39/57/74/1198395774.db2.gz ZLKFUPLHDQYBCO-KRWDZBQOSA-N 1 2 332.473 2.342 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cnc(SCC)nc2)C1=O ZINC001273375422 1198395777 /nfs/dbraw/zinc/39/57/77/1198395777.db2.gz ZLKFUPLHDQYBCO-KRWDZBQOSA-N 1 2 332.473 2.342 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001132042524 1199227238 /nfs/dbraw/zinc/22/72/38/1199227238.db2.gz VRGILVNVCUCYLA-GOEBONIOSA-N 1 2 349.862 2.244 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(Cl)n2)C1 ZINC001132042524 1199227242 /nfs/dbraw/zinc/22/72/42/1199227242.db2.gz VRGILVNVCUCYLA-GOEBONIOSA-N 1 2 349.862 2.244 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC(C)C)C1 ZINC001132057979 1199245517 /nfs/dbraw/zinc/24/55/17/1199245517.db2.gz VKUBZYQDKODNBF-SJLPKXTDSA-N 1 2 349.519 2.496 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC(C)C)C1 ZINC001132057979 1199245520 /nfs/dbraw/zinc/24/55/20/1199245520.db2.gz VKUBZYQDKODNBF-SJLPKXTDSA-N 1 2 349.519 2.496 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cncc(OC)n2)C1 ZINC001132234449 1199452682 /nfs/dbraw/zinc/45/26/82/1199452682.db2.gz CALDPPNXRYGFLS-CVEARBPZSA-N 1 2 344.459 2.148 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cncc(OC)n2)C1 ZINC001132234449 1199452686 /nfs/dbraw/zinc/45/26/86/1199452686.db2.gz CALDPPNXRYGFLS-CVEARBPZSA-N 1 2 344.459 2.148 20 30 EEEDLO COc1cncc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)c1C ZINC001014936774 1224557875 /nfs/dbraw/zinc/55/78/75/1224557875.db2.gz YNVNUXSXJADXEK-SFHVURJKSA-N 1 2 349.434 2.254 20 30 EEEDLO COc1cncc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1C ZINC001014936774 1224557876 /nfs/dbraw/zinc/55/78/76/1224557876.db2.gz YNVNUXSXJADXEK-SFHVURJKSA-N 1 2 349.434 2.254 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)CCC(C)C)CC[C@@H]1C ZINC001132360716 1199627438 /nfs/dbraw/zinc/62/74/38/1199627438.db2.gz VTMREPWLIPYUNX-GJZGRUSLSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CNC(=O)CCC(C)C)CC[C@@H]1C ZINC001132360716 1199627444 /nfs/dbraw/zinc/62/74/44/1199627444.db2.gz VTMREPWLIPYUNX-GJZGRUSLSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCC(=O)NCC)CC[C@@H]1C ZINC001132432817 1199700548 /nfs/dbraw/zinc/70/05/48/1199700548.db2.gz HHPIZMSVQXVACK-UONOGXRCSA-N 1 2 329.872 2.014 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCC(=O)NCC)CC[C@@H]1C ZINC001132432817 1199700554 /nfs/dbraw/zinc/70/05/54/1199700554.db2.gz HHPIZMSVQXVACK-UONOGXRCSA-N 1 2 329.872 2.014 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(C)oc2C)C1 ZINC001132533978 1199848374 /nfs/dbraw/zinc/84/83/74/1199848374.db2.gz WRJUHHUFRYKGJD-XJKSGUPXSA-N 1 2 335.448 2.353 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nc(C)oc2C)C1 ZINC001132533978 1199848378 /nfs/dbraw/zinc/84/83/78/1199848378.db2.gz WRJUHHUFRYKGJD-XJKSGUPXSA-N 1 2 335.448 2.353 20 30 EEEDLO CC(=O)N1CC[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C(C)(C)C1 ZINC000878373471 1200430134 /nfs/dbraw/zinc/43/01/34/1200430134.db2.gz MEYJOBBYLSLBOF-FQEVSTJZSA-N 1 2 341.455 2.370 20 30 EEEDLO CC(=O)N1CC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C(C)(C)C1 ZINC000878373471 1200430140 /nfs/dbraw/zinc/43/01/40/1200430140.db2.gz MEYJOBBYLSLBOF-FQEVSTJZSA-N 1 2 341.455 2.370 20 30 EEEDLO COc1cccc([C@@H]2CN(C(=O)c3cc(O)cc(C#N)c3)CC[NH2+]2)c1 ZINC000870153790 1200516851 /nfs/dbraw/zinc/51/68/51/1200516851.db2.gz YDVCAWDZZBVRAT-SFHVURJKSA-N 1 2 337.379 2.059 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001018386563 1224662421 /nfs/dbraw/zinc/66/24/21/1224662421.db2.gz KAOAFXXHASHAJY-GOEBONIOSA-N 1 2 344.459 2.194 20 30 EEEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1cc(C#N)c(F)cc1F ZINC000880711025 1201565591 /nfs/dbraw/zinc/56/55/91/1201565591.db2.gz AYIFKMHKZYDDHB-UHFFFAOYSA-N 1 2 338.358 2.069 20 30 EEEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)CC1(CC#N)CC1 ZINC000867679678 1201656832 /nfs/dbraw/zinc/65/68/32/1201656832.db2.gz HYSKHLXAYMBDHI-UHFFFAOYSA-N 1 2 337.445 2.338 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1CN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001114440150 1201952456 /nfs/dbraw/zinc/95/24/56/1201952456.db2.gz RMKNQJGPRUILCX-HNNXBMFYSA-N 1 2 332.448 2.099 20 30 EEEDLO N#CCC1(CS(=O)(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000882837463 1201954471 /nfs/dbraw/zinc/95/44/71/1201954471.db2.gz IHKNPYGVPBWYBG-INIZCTEOSA-N 1 2 344.440 2.238 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)C1CC[NH+](Cc2ncccn2)CC1 ZINC001006346368 1202142839 /nfs/dbraw/zinc/14/28/39/1202142839.db2.gz BNFLAJRMCWTSPQ-UHFFFAOYSA-N 1 2 348.450 2.123 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001015085676 1224725978 /nfs/dbraw/zinc/72/59/78/1224725978.db2.gz YZQQRQWDKWTFHS-ZDUSSCGKSA-N 1 2 331.807 2.028 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001015085676 1224725981 /nfs/dbraw/zinc/72/59/81/1224725981.db2.gz YZQQRQWDKWTFHS-ZDUSSCGKSA-N 1 2 331.807 2.028 20 30 EEEDLO C=CCCOCC(=O)NCC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095359989 1204176061 /nfs/dbraw/zinc/17/60/61/1204176061.db2.gz XQEYJMYEKUCANC-UHFFFAOYSA-N 1 2 346.475 2.327 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NCC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001095373045 1204229767 /nfs/dbraw/zinc/22/97/67/1204229767.db2.gz UDPPNCYSTGTAFJ-LJQANCHMSA-N 1 2 346.475 2.346 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Cl)nc1OC ZINC001274210053 1204464495 /nfs/dbraw/zinc/46/44/95/1204464495.db2.gz QYXXCMVCQHTKOK-GOSISDBHSA-N 1 2 347.846 2.334 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Cl)nc1OC ZINC001274210053 1204464497 /nfs/dbraw/zinc/46/44/97/1204464497.db2.gz QYXXCMVCQHTKOK-GOSISDBHSA-N 1 2 347.846 2.334 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Cl)nc1OC ZINC001274210055 1204464547 /nfs/dbraw/zinc/46/45/47/1204464547.db2.gz QYXXCMVCQHTKOK-SFHVURJKSA-N 1 2 347.846 2.334 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Cl)nc1OC ZINC001274210055 1204464548 /nfs/dbraw/zinc/46/45/48/1204464548.db2.gz QYXXCMVCQHTKOK-SFHVURJKSA-N 1 2 347.846 2.334 20 30 EEEDLO Cc1cc(N2CCC(NC(=O)CSCC#N)CC2)nc(C(C)C)[nH+]1 ZINC001095405346 1204891953 /nfs/dbraw/zinc/89/19/53/1204891953.db2.gz KPEBQNCOQSDOOL-UHFFFAOYSA-N 1 2 347.488 2.250 20 30 EEEDLO C=CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001111660407 1204926760 /nfs/dbraw/zinc/92/67/60/1204926760.db2.gz HNPDUKSAIIGHEX-KJNXOPIYSA-N 1 2 333.259 2.479 20 30 EEEDLO C=CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](C/C(Cl)=C\Cl)C2 ZINC001111660407 1204926761 /nfs/dbraw/zinc/92/67/61/1204926761.db2.gz HNPDUKSAIIGHEX-KJNXOPIYSA-N 1 2 333.259 2.479 20 30 EEEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(C#N)ccc2O)C1=O ZINC001274667859 1205124784 /nfs/dbraw/zinc/12/47/84/1205124784.db2.gz RNYAFNGQAQWNLK-LJQANCHMSA-N 1 2 325.412 2.407 20 30 EEEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc(C#N)ccc2O)C1=O ZINC001274667859 1205124787 /nfs/dbraw/zinc/12/47/87/1205124787.db2.gz RNYAFNGQAQWNLK-LJQANCHMSA-N 1 2 325.412 2.407 20 30 EEEDLO C=CCN1CC[C@@]2(CCCN2c2nc(NC3CC3)c(C)c[nH+]2)C1=O ZINC001274731445 1205146731 /nfs/dbraw/zinc/14/67/31/1205146731.db2.gz QEJJWPMSHGJCEP-SFHVURJKSA-N 1 2 327.432 2.117 20 30 EEEDLO Cc1ccc(C#N)cc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]c1 ZINC001275458881 1205371422 /nfs/dbraw/zinc/37/14/22/1205371422.db2.gz VZEIVRPUUFMBEJ-CALCHBBNSA-N 1 2 335.411 2.079 20 30 EEEDLO Cc1ccc(C#N)cc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]c1 ZINC001275458881 1205371423 /nfs/dbraw/zinc/37/14/23/1205371423.db2.gz VZEIVRPUUFMBEJ-CALCHBBNSA-N 1 2 335.411 2.079 20 30 EEEDLO CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)ccc1O ZINC001275550957 1205407126 /nfs/dbraw/zinc/40/71/26/1205407126.db2.gz RJGRCFJJEIRMFC-IYBDPMFKSA-N 1 2 328.416 2.030 20 30 EEEDLO CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)ccc1O ZINC001275550957 1205407128 /nfs/dbraw/zinc/40/71/28/1205407128.db2.gz RJGRCFJJEIRMFC-IYBDPMFKSA-N 1 2 328.416 2.030 20 30 EEEDLO CC(C)NC(=O)N1C[C@@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@@H]2C1 ZINC001275600494 1205439356 /nfs/dbraw/zinc/43/93/56/1205439356.db2.gz PENTZBHFFTVVQX-WMLDXEAASA-N 1 2 330.407 2.321 20 30 EEEDLO CC(C)NC(=O)N1C[C@@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@@H]2C1 ZINC001275600494 1205439358 /nfs/dbraw/zinc/43/93/58/1205439358.db2.gz PENTZBHFFTVVQX-WMLDXEAASA-N 1 2 330.407 2.321 20 30 EEEDLO CC(C)NC(=O)N1CCC2(C[NH+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001275956504 1205602170 /nfs/dbraw/zinc/60/21/70/1205602170.db2.gz KPJPDZSWCBNWCI-UHFFFAOYSA-N 1 2 330.407 2.323 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nocc1C ZINC001095433799 1205741103 /nfs/dbraw/zinc/74/11/03/1205741103.db2.gz HAIXLGRZNLMYFV-YONAWACDSA-N 1 2 345.443 2.186 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nocc1C ZINC001095433799 1205741104 /nfs/dbraw/zinc/74/11/04/1205741104.db2.gz HAIXLGRZNLMYFV-YONAWACDSA-N 1 2 345.443 2.186 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCCCN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001095710973 1205920614 /nfs/dbraw/zinc/92/06/14/1205920614.db2.gz JRCLNYTXMJFOSX-OAHLLOKOSA-N 1 2 345.491 2.009 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCCCN(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001095710973 1205920615 /nfs/dbraw/zinc/92/06/15/1205920615.db2.gz JRCLNYTXMJFOSX-OAHLLOKOSA-N 1 2 345.491 2.009 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CCOCC2)C[C@H]1C ZINC000946981140 1205957862 /nfs/dbraw/zinc/95/78/62/1205957862.db2.gz SSMZOMGQSRHXTN-OCCSQVGLSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)CC ZINC001110888726 1205956631 /nfs/dbraw/zinc/95/66/31/1205956631.db2.gz RWJJTWXVNJODFU-FPCVCCKLSA-N 1 2 335.492 2.225 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)CC ZINC001110888726 1205956633 /nfs/dbraw/zinc/95/66/33/1205956633.db2.gz RWJJTWXVNJODFU-FPCVCCKLSA-N 1 2 335.492 2.225 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CCOCC2)C[C@H]1C ZINC000946981140 1205957860 /nfs/dbraw/zinc/95/78/60/1205957860.db2.gz SSMZOMGQSRHXTN-OCCSQVGLSA-N 1 2 345.281 2.291 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC[C@@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110939779 1206339714 /nfs/dbraw/zinc/33/97/14/1206339714.db2.gz 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/nfs/dbraw/zinc/97/22/50/1210972250.db2.gz PLDWSFPYIUCVLZ-LLVKDONJSA-N 1 2 330.823 2.164 20 30 EEEDLO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000779805024 1211036900 /nfs/dbraw/zinc/03/69/00/1211036900.db2.gz IXJNAZNLXVLUSB-SECBINFHSA-N 1 2 334.786 2.244 20 30 EEEDLO CCN(CCCNC(=O)c1c[nH]c(C#N)c1)c1nc(C)[nH+]c(C)c1C ZINC001095858459 1211531216 /nfs/dbraw/zinc/53/12/16/1211531216.db2.gz VGAFFFHDCYCWAL-UHFFFAOYSA-N 1 2 340.431 2.248 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC000952759359 1211570396 /nfs/dbraw/zinc/57/03/96/1211570396.db2.gz IHNOWTOLUXBIET-IYBDPMFKSA-N 1 2 344.459 2.077 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C)CC1 ZINC000955809770 1213346274 /nfs/dbraw/zinc/34/62/74/1213346274.db2.gz PWTUFJOBUOCGRP-NVXWUHKLSA-N 1 2 344.459 2.125 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC(C)C)CC2)C1 ZINC000956581002 1214101766 /nfs/dbraw/zinc/10/17/66/1214101766.db2.gz ZBKBKJGXUAAMJX-YLJYHZDGSA-N 1 2 349.519 2.380 20 30 EEEDLO CCc1ncoc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015674948 1225537653 /nfs/dbraw/zinc/53/76/53/1225537653.db2.gz MEIWWYGGTYKVGN-INIZCTEOSA-N 1 2 341.386 2.232 20 30 EEEDLO CCc1ncoc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015674948 1225537656 /nfs/dbraw/zinc/53/76/56/1225537656.db2.gz MEIWWYGGTYKVGN-INIZCTEOSA-N 1 2 341.386 2.232 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)sc3C)C2)c1 ZINC001015679210 1225542466 /nfs/dbraw/zinc/54/24/66/1225542466.db2.gz VRWYODZOBHGNDX-MRXNPFEDSA-N 1 2 340.452 2.141 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C)sc3C)C2)c1 ZINC001015679210 1225542471 /nfs/dbraw/zinc/54/24/71/1225542471.db2.gz VRWYODZOBHGNDX-MRXNPFEDSA-N 1 2 340.452 2.141 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2csc(C(F)(F)F)n2)C1 ZINC000957094865 1214831109 /nfs/dbraw/zinc/83/11/09/1214831109.db2.gz VRVSSJCMGUSCSZ-UHFFFAOYSA-N 1 2 331.363 2.332 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csnc3OC)C[C@H]21 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ZINC000965564022 1219147512 /nfs/dbraw/zinc/14/75/12/1219147512.db2.gz XTFYLLOITBAZKQ-MLGOLLRUSA-N 1 2 342.374 2.326 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C)[nH]1 ZINC000965622325 1219175779 /nfs/dbraw/zinc/17/57/79/1219175779.db2.gz IRDIYGCRGHSTRG-SCLBCKFNSA-N 1 2 337.427 2.230 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)CC[C@@H]2C)[nH]1 ZINC000965622325 1219175780 /nfs/dbraw/zinc/17/57/80/1219175780.db2.gz IRDIYGCRGHSTRG-SCLBCKFNSA-N 1 2 337.427 2.230 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966671169 1219935230 /nfs/dbraw/zinc/93/52/30/1219935230.db2.gz YXNRNJIZAYFFFW-HIFRSBDPSA-N 1 2 346.475 2.102 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cnc(Cl)n2C)C1 ZINC000967331759 1220424668 /nfs/dbraw/zinc/42/46/68/1220424668.db2.gz CPUBRMFWSQJZCY-GXSJLCMTSA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cnc(Cl)n2C)C1 ZINC000967331759 1220424671 /nfs/dbraw/zinc/42/46/71/1220424671.db2.gz CPUBRMFWSQJZCY-GXSJLCMTSA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2cn(C)nc2Cl)C1 ZINC000968331753 1221215163 /nfs/dbraw/zinc/21/51/63/1221215163.db2.gz QRVKUHRRGKQKCQ-MFKMUULPSA-N 1 2 345.274 2.195 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2cn(C)nc2Cl)C1 ZINC000968331753 1221215166 /nfs/dbraw/zinc/21/51/66/1221215166.db2.gz QRVKUHRRGKQKCQ-MFKMUULPSA-N 1 2 345.274 2.195 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cc(Cl)no3)C2)s1 ZINC001016067988 1226026993 /nfs/dbraw/zinc/02/69/93/1226026993.db2.gz SJTRWBHXAKFTEX-SECBINFHSA-N 1 2 336.804 2.265 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(Cl)no3)C2)s1 ZINC001016067988 1226026998 /nfs/dbraw/zinc/02/69/98/1226026998.db2.gz SJTRWBHXAKFTEX-SECBINFHSA-N 1 2 336.804 2.265 20 30 EEEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnc(-c3ccoc3)s2)C1 ZINC000968386681 1221264251 /nfs/dbraw/zinc/26/42/51/1221264251.db2.gz NXKCJIYUOJRKQG-OCCSQVGLSA-N 1 2 329.425 2.477 20 30 EEEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnc(-c3ccoc3)s2)C1 ZINC000968386681 1221264254 /nfs/dbraw/zinc/26/42/54/1221264254.db2.gz NXKCJIYUOJRKQG-OCCSQVGLSA-N 1 2 329.425 2.477 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000968795256 1221576446 /nfs/dbraw/zinc/57/64/46/1221576446.db2.gz JSZQUQGSYFNHSI-GFCCVEGCSA-N 1 2 338.839 2.416 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2Cc2nncn2C)CC1 ZINC000969013939 1221739210 /nfs/dbraw/zinc/73/92/10/1221739210.db2.gz KZRLGPHVSSXTFM-QGZVFWFLSA-N 1 2 345.491 2.422 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2Cc2nncn2C)CC1 ZINC000969013939 1221739213 /nfs/dbraw/zinc/73/92/13/1221739213.db2.gz KZRLGPHVSSXTFM-QGZVFWFLSA-N 1 2 345.491 2.422 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCCCC[N@@H+]2Cc2ccon2)c1 ZINC000969020594 1221746060 /nfs/dbraw/zinc/74/60/60/1221746060.db2.gz SFURXSYJRRLOBX-SFHVURJKSA-N 1 2 338.411 2.226 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCCCC[N@H+]2Cc2ccon2)c1 ZINC000969020594 1221746062 /nfs/dbraw/zinc/74/60/62/1221746062.db2.gz SFURXSYJRRLOBX-SFHVURJKSA-N 1 2 338.411 2.226 20 30 EEEDLO CCC1(Nc2ccc(C#N)cn2)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001066833000 1221817407 /nfs/dbraw/zinc/81/74/07/1221817407.db2.gz CJHZDCKRRHNEGR-UHFFFAOYSA-N 1 2 338.415 2.102 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3ccncc3)C2)ccc1F ZINC001006571422 1221840920 /nfs/dbraw/zinc/84/09/20/1221840920.db2.gz MFLQYPNXQJXLRO-KRWDZBQOSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)c3ccncc3)C2)ccc1F ZINC001006571422 1221840925 /nfs/dbraw/zinc/84/09/25/1221840925.db2.gz MFLQYPNXQJXLRO-KRWDZBQOSA-N 1 2 338.386 2.487 20 30 EEEDLO Cn1cccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001006776469 1221936296 /nfs/dbraw/zinc/93/62/96/1221936296.db2.gz ZBLJCDNQBCWOBH-INIZCTEOSA-N 1 2 340.402 2.430 20 30 EEEDLO Cn1cccc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001006776469 1221936297 /nfs/dbraw/zinc/93/62/97/1221936297.db2.gz ZBLJCDNQBCWOBH-INIZCTEOSA-N 1 2 340.402 2.430 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C[C@H]3CCCO3)C2)c(F)c1 ZINC001006820248 1221961346 /nfs/dbraw/zinc/96/13/46/1221961346.db2.gz IWACTHBIEANKDE-IAGOWNOFSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C[C@H]3CCCO3)C2)c(F)c1 ZINC001006820248 1221961348 /nfs/dbraw/zinc/96/13/48/1221961348.db2.gz IWACTHBIEANKDE-IAGOWNOFSA-N 1 2 345.418 2.347 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)[nH]n1 ZINC001006847588 1221976713 /nfs/dbraw/zinc/97/67/13/1221976713.db2.gz TVUXPXPQVXQENV-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)[nH]n1 ZINC001006847588 1221976717 /nfs/dbraw/zinc/97/67/17/1221976717.db2.gz TVUXPXPQVXQENV-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+](Cc3cc(C4CC4)no3)C2)c1 ZINC001007029325 1222067553 /nfs/dbraw/zinc/06/75/53/1222067553.db2.gz MWMXBRPHQPXTSB-AWEZNQCLSA-N 1 2 339.399 2.146 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(C4CC4)no3)C2)c1 ZINC001007029325 1222067559 /nfs/dbraw/zinc/06/75/59/1222067559.db2.gz MWMXBRPHQPXTSB-AWEZNQCLSA-N 1 2 339.399 2.146 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1cc[nH]c1 ZINC001007390543 1222202492 /nfs/dbraw/zinc/20/24/92/1222202492.db2.gz JYORESTUHOVEGQ-GOSISDBHSA-N 1 2 325.387 2.400 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)c1cc[nH]c1 ZINC001007390543 1222202495 /nfs/dbraw/zinc/20/24/95/1222202495.db2.gz JYORESTUHOVEGQ-GOSISDBHSA-N 1 2 325.387 2.400 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@](CO)(Nc2cc[nH+]c(C)n2)C1 ZINC001066920315 1222816529 /nfs/dbraw/zinc/81/65/29/1222816529.db2.gz PGZWPWKBLBYRKP-ZWKOTPCHSA-N 1 2 332.448 2.153 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001008886506 1223067736 /nfs/dbraw/zinc/06/77/36/1223067736.db2.gz HEJHPDWFLFIAOI-ZDUSSCGKSA-N 1 2 343.456 2.354 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001008886506 1223067740 /nfs/dbraw/zinc/06/77/40/1223067740.db2.gz HEJHPDWFLFIAOI-ZDUSSCGKSA-N 1 2 343.456 2.354 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001008888727 1223068402 /nfs/dbraw/zinc/06/84/02/1223068402.db2.gz SHNBEHPTEVSCKD-AWEZNQCLSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001008888727 1223068405 /nfs/dbraw/zinc/06/84/05/1223068405.db2.gz SHNBEHPTEVSCKD-AWEZNQCLSA-N 1 2 345.834 2.418 20 30 EEEDLO CCc1ncncc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001009558085 1223285364 /nfs/dbraw/zinc/28/53/64/1223285364.db2.gz HOQCICRUADTBEU-KRWDZBQOSA-N 1 2 349.438 2.305 20 30 EEEDLO CCc1ncncc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001009558085 1223285367 /nfs/dbraw/zinc/28/53/67/1223285367.db2.gz HOQCICRUADTBEU-KRWDZBQOSA-N 1 2 349.438 2.305 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccccc3O)C2)cc1F ZINC001010270779 1223636108 /nfs/dbraw/zinc/63/61/08/1223636108.db2.gz OKLFLMUICCHJNS-OAHLLOKOSA-N 1 2 339.370 2.407 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccccc3O)C2)cc1F ZINC001010270779 1223636110 /nfs/dbraw/zinc/63/61/10/1223636110.db2.gz OKLFLMUICCHJNS-OAHLLOKOSA-N 1 2 339.370 2.407 20 30 EEEDLO Cc1nscc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010685660 1223850507 /nfs/dbraw/zinc/85/05/07/1223850507.db2.gz AFWMFYXEERSEEZ-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1nscc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010685660 1223850512 /nfs/dbraw/zinc/85/05/12/1223850512.db2.gz AFWMFYXEERSEEZ-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1nscc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010688370 1223851722 /nfs/dbraw/zinc/85/17/22/1223851722.db2.gz GLSDKXMDHWUEKG-MRXNPFEDSA-N 1 2 343.427 2.446 20 30 EEEDLO Cc1nscc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010688370 1223851725 /nfs/dbraw/zinc/85/17/25/1223851725.db2.gz GLSDKXMDHWUEKG-MRXNPFEDSA-N 1 2 343.427 2.446 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)ns1 ZINC001010774512 1223901401 /nfs/dbraw/zinc/90/14/01/1223901401.db2.gz RSCYNCITUJOCHC-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)ns1 ZINC001010774512 1223901403 /nfs/dbraw/zinc/90/14/03/1223901403.db2.gz RSCYNCITUJOCHC-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)ns1 ZINC001010776100 1223901674 /nfs/dbraw/zinc/90/16/74/1223901674.db2.gz ZRNIOZRZOPAZFF-INIZCTEOSA-N 1 2 343.427 2.446 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)ns1 ZINC001010776100 1223901679 /nfs/dbraw/zinc/90/16/79/1223901679.db2.gz ZRNIOZRZOPAZFF-INIZCTEOSA-N 1 2 343.427 2.446 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)ns1 ZINC001010776105 1223901874 /nfs/dbraw/zinc/90/18/74/1223901874.db2.gz ZRNIOZRZOPAZFF-MRXNPFEDSA-N 1 2 343.427 2.446 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)ns1 ZINC001010776105 1223901876 /nfs/dbraw/zinc/90/18/76/1223901876.db2.gz ZRNIOZRZOPAZFF-MRXNPFEDSA-N 1 2 343.427 2.446 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)C2(c3ccccn3)CC2)C1 ZINC001014417626 1226596118 /nfs/dbraw/zinc/59/61/18/1226596118.db2.gz ACCOZKKLMDPHRO-SFHVURJKSA-N 1 2 346.434 2.376 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C2(c3ccccn3)CC2)C1 ZINC001014417626 1226596122 /nfs/dbraw/zinc/59/61/22/1226596122.db2.gz ACCOZKKLMDPHRO-SFHVURJKSA-N 1 2 346.434 2.376 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccnn1C(F)F ZINC001014577122 1226798585 /nfs/dbraw/zinc/79/85/85/1226798585.db2.gz GDHUMHXRWKZTLW-HNNXBMFYSA-N 1 2 344.365 2.134 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccnn1C(F)F ZINC001014577122 1226798588 /nfs/dbraw/zinc/79/85/88/1226798588.db2.gz GDHUMHXRWKZTLW-HNNXBMFYSA-N 1 2 344.365 2.134 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ccccc2c(=O)o1 ZINC001017586610 1227549508 /nfs/dbraw/zinc/54/95/08/1227549508.db2.gz FWELVRBWBRZLEI-IYBDPMFKSA-N 1 2 336.391 2.105 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ccccc2c(=O)o1 ZINC001017586610 1227549512 /nfs/dbraw/zinc/54/95/12/1227549512.db2.gz FWELVRBWBRZLEI-IYBDPMFKSA-N 1 2 336.391 2.105 20 30 EEEDLO Cc1cc(N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)nc(C(C)C)[nH+]1 ZINC001058322672 1248864799 /nfs/dbraw/zinc/86/47/99/1248864799.db2.gz HKQLBSMLUMVVMC-AWEZNQCLSA-N 1 2 338.415 2.117 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nncs3)C2)cc1 ZINC001019055161 1228680523 /nfs/dbraw/zinc/68/05/23/1228680523.db2.gz WGZOQXPDUOPPEP-AWEZNQCLSA-N 1 2 344.440 2.107 20 30 EEEDLO C=C(Br)C[NH2+][C@H]1CCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC001019220918 1228888593 /nfs/dbraw/zinc/88/85/93/1228888593.db2.gz HANFPUYHXHGEMZ-NSHDSACASA-N 1 2 349.232 2.276 20 30 EEEDLO CN(C)c1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)cn1 ZINC001038435856 1229818335 /nfs/dbraw/zinc/81/83/35/1229818335.db2.gz UXAMGSWXZSKIIS-SFHVURJKSA-N 1 2 349.438 2.024 20 30 EEEDLO CN(C)c1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)cn1 ZINC001038435856 1229818338 /nfs/dbraw/zinc/81/83/38/1229818338.db2.gz UXAMGSWXZSKIIS-SFHVURJKSA-N 1 2 349.438 2.024 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CCO[C@H]1C1CC1 ZINC001038537653 1229903992 /nfs/dbraw/zinc/90/39/92/1229903992.db2.gz QSYIPBQHZIQNFH-ZCNNSNEGSA-N 1 2 338.451 2.044 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CCO[C@H]1C1CC1 ZINC001038537653 1229903994 /nfs/dbraw/zinc/90/39/94/1229903994.db2.gz QSYIPBQHZIQNFH-ZCNNSNEGSA-N 1 2 338.451 2.044 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnn(C)c1C ZINC001039382199 1230566780 /nfs/dbraw/zinc/56/67/80/1230566780.db2.gz GPEGGGSHJNOZOY-CVEARBPZSA-N 1 2 336.867 2.089 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnn(C)c1C ZINC001039382199 1230566782 /nfs/dbraw/zinc/56/67/82/1230566782.db2.gz GPEGGGSHJNOZOY-CVEARBPZSA-N 1 2 336.867 2.089 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001039409166 1230590514 /nfs/dbraw/zinc/59/05/14/1230590514.db2.gz BOUHSEVXHHQVQQ-QKPAOTATSA-N 1 2 348.878 2.341 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001039409166 1230590518 /nfs/dbraw/zinc/59/05/18/1230590518.db2.gz BOUHSEVXHHQVQQ-QKPAOTATSA-N 1 2 348.878 2.341 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1nccn1C ZINC001039410012 1230591021 /nfs/dbraw/zinc/59/10/21/1230591021.db2.gz OEYVYNGCYJCLEV-CABCVRRESA-N 1 2 336.867 2.171 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1nccn1C ZINC001039410012 1230591025 /nfs/dbraw/zinc/59/10/25/1230591025.db2.gz OEYVYNGCYJCLEV-CABCVRRESA-N 1 2 336.867 2.171 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001039441184 1230611554 /nfs/dbraw/zinc/61/15/54/1230611554.db2.gz SDLFWTDJACPSIT-LTIDMASMSA-N 1 2 348.878 2.341 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001039441184 1230611557 /nfs/dbraw/zinc/61/15/57/1230611557.db2.gz SDLFWTDJACPSIT-LTIDMASMSA-N 1 2 348.878 2.341 20 30 EEEDLO 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ZINC001042185411 1231943370 /nfs/dbraw/zinc/94/33/70/1231943370.db2.gz BRKOMYQNWDLPFU-JKSUJKDBSA-N 1 2 345.491 2.241 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(C)o4)[C@H]3C2)C1 ZINC001042223822 1231966381 /nfs/dbraw/zinc/96/63/81/1231966381.db2.gz HDFUKRUHQCSSAM-CABCVRRESA-N 1 2 330.432 2.157 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(C)o4)[C@H]3C2)C1 ZINC001042223822 1231966384 /nfs/dbraw/zinc/96/63/84/1231966384.db2.gz HDFUKRUHQCSSAM-CABCVRRESA-N 1 2 330.432 2.157 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@H+](Cc4ncccn4)[C@H]3C2)C1 ZINC001042225076 1231967769 /nfs/dbraw/zinc/96/77/69/1231967769.db2.gz VKEAKDDJNCQTAN-HOTGVXAUSA-N 1 2 326.444 2.256 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4ncccn4)[C@H]3C2)C1 ZINC001042225076 1231967771 /nfs/dbraw/zinc/96/77/71/1231967771.db2.gz VKEAKDDJNCQTAN-HOTGVXAUSA-N 1 2 326.444 2.256 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(-c4ccoc4)[nH]n3)C[C@H]21 ZINC001042354684 1232042471 /nfs/dbraw/zinc/04/24/71/1232042471.db2.gz CCAXKUQUASJZOM-RDTXWAMCSA-N 1 2 338.411 2.229 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(-c4ccoc4)[nH]n3)C[C@H]21 ZINC001042354684 1232042472 /nfs/dbraw/zinc/04/24/72/1232042472.db2.gz CCAXKUQUASJZOM-RDTXWAMCSA-N 1 2 338.411 2.229 20 30 EEEDLO CO[C@H](C[NH+]1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1)c1ccccc1 ZINC001042590174 1232114222 /nfs/dbraw/zinc/11/42/22/1232114222.db2.gz WSPAAKHLBPQYAT-GOSISDBHSA-N 1 2 338.411 2.030 20 30 EEEDLO COc1cccc(C[NH+]2CC(N(C)C(=O)c3c[nH]c(C#N)c3)C2)c1C ZINC001042638378 1232126755 /nfs/dbraw/zinc/12/67/55/1232126755.db2.gz HFZJEYBTGJMALA-UHFFFAOYSA-N 1 2 338.411 2.160 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCCN(CC)c1[nH+]cnc2c1cnn2C ZINC001095947417 1232499419 /nfs/dbraw/zinc/49/94/19/1232499419.db2.gz MCECJQKQZKWVQF-ZIAGYGMSSA-N 1 2 344.463 2.154 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](CCOc3ccc(C)cc3)C2)nc1 ZINC001044203625 1232786136 /nfs/dbraw/zinc/78/61/36/1232786136.db2.gz RCADWHIYSAIPQZ-UHFFFAOYSA-N 1 2 349.434 2.207 20 30 EEEDLO C#Cc1ccc(C(=O)NC2(C)CC[NH+](Cc3coc(C)n3)CC2)cn1 ZINC001045623653 1233866178 /nfs/dbraw/zinc/86/61/78/1233866178.db2.gz WRGPHURUHIBAST-UHFFFAOYSA-N 1 2 338.411 2.144 20 30 EEEDLO Cc1cccc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c1Cl ZINC001046070742 1234405177 /nfs/dbraw/zinc/40/51/77/1234405177.db2.gz AYJUIRMSCJFMPX-OAHLLOKOSA-N 1 2 346.862 2.004 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001046373693 1234722480 /nfs/dbraw/zinc/72/24/80/1234722480.db2.gz GFUCRFCANBNQJW-SFHVURJKSA-N 1 2 328.416 2.365 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@H+](Cc2ncc(C)o2)C1 ZINC001046373693 1234722486 /nfs/dbraw/zinc/72/24/86/1234722486.db2.gz GFUCRFCANBNQJW-SFHVURJKSA-N 1 2 328.416 2.365 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001046478719 1234849314 /nfs/dbraw/zinc/84/93/14/1234849314.db2.gz AYDWBLBLHBEFRN-UXLLHSPISA-N 1 2 326.868 2.382 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001046478719 1234849318 /nfs/dbraw/zinc/84/93/18/1234849318.db2.gz AYDWBLBLHBEFRN-UXLLHSPISA-N 1 2 326.868 2.382 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C(F)F)nn2C)C1 ZINC001046481560 1234853898 /nfs/dbraw/zinc/85/38/98/1234853898.db2.gz REQQLKCHEBIFIN-CQSZACIVSA-N 1 2 332.782 2.304 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C(F)F)nn2C)C1 ZINC001046481560 1234853902 /nfs/dbraw/zinc/85/39/02/1234853902.db2.gz REQQLKCHEBIFIN-CQSZACIVSA-N 1 2 332.782 2.304 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001046520474 1234899462 /nfs/dbraw/zinc/89/94/62/1234899462.db2.gz CYSNPCVEACZGDZ-QGZVFWFLSA-N 1 2 347.850 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001046520474 1234899465 /nfs/dbraw/zinc/89/94/65/1234899465.db2.gz CYSNPCVEACZGDZ-QGZVFWFLSA-N 1 2 347.850 2.293 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cncc(N3CCCC3)n2)C1 ZINC001046682384 1235071164 /nfs/dbraw/zinc/07/11/64/1235071164.db2.gz WZRRKJDDUMAUHR-QGZVFWFLSA-N 1 2 349.866 2.024 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cncc(N3CCCC3)n2)C1 ZINC001046682384 1235071168 /nfs/dbraw/zinc/07/11/68/1235071168.db2.gz WZRRKJDDUMAUHR-QGZVFWFLSA-N 1 2 349.866 2.024 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ncc(C)s3)C2)nc1 ZINC001046780710 1235178707 /nfs/dbraw/zinc/17/87/07/1235178707.db2.gz AGVHHXPPNULROD-GOSISDBHSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](Cc3ncc(C)s3)C2)nc1 ZINC001046780710 1235178709 /nfs/dbraw/zinc/17/87/09/1235178709.db2.gz AGVHHXPPNULROD-GOSISDBHSA-N 1 2 340.452 2.222 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001046868763 1235266483 /nfs/dbraw/zinc/26/64/83/1235266483.db2.gz BOIVLPNISKJBQX-VMBOVVBDSA-N 1 2 341.883 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001046868763 1235266484 /nfs/dbraw/zinc/26/64/84/1235266484.db2.gz BOIVLPNISKJBQX-VMBOVVBDSA-N 1 2 341.883 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2[nH]cnc2CC)C1 ZINC001046992419 1235403892 /nfs/dbraw/zinc/40/38/92/1235403892.db2.gz UWWKDFIRGYOJFE-LLVKDONJSA-N 1 2 346.809 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2[nH]cnc2CC)C1 ZINC001046992419 1235403895 /nfs/dbraw/zinc/40/38/95/1235403895.db2.gz UWWKDFIRGYOJFE-LLVKDONJSA-N 1 2 346.809 2.412 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC2)cn1 ZINC000801552893 1235826051 /nfs/dbraw/zinc/82/60/51/1235826051.db2.gz VOLMGHQXPKPWSD-GOSISDBHSA-N 1 2 344.365 2.087 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3cc4ccccc4o3)n2CC)CC1 ZINC000801870101 1236328129 /nfs/dbraw/zinc/32/81/29/1236328129.db2.gz PJZKFPCBWQUFRE-UHFFFAOYSA-N 1 2 335.411 2.466 20 30 EEEDLO CC(C)(C)CCC(=O)NCC[NH+]1CCN(c2ccncc2C#N)CC1 ZINC001096289921 1237164123 /nfs/dbraw/zinc/16/41/23/1237164123.db2.gz QXRXDGJWWUCVRJ-UHFFFAOYSA-N 1 2 343.475 2.018 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cncs2)cn1 ZINC001096378978 1237897152 /nfs/dbraw/zinc/89/71/52/1237897152.db2.gz CFSGKPTZHADNGA-PVAVHDDUSA-N 1 2 338.436 2.055 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cncs2)cn1 ZINC001096378978 1237897156 /nfs/dbraw/zinc/89/71/56/1237897156.db2.gz CFSGKPTZHADNGA-PVAVHDDUSA-N 1 2 338.436 2.055 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001056518479 1239426831 /nfs/dbraw/zinc/42/68/31/1239426831.db2.gz LNJHEZPXLQKMOM-IXDOHACOSA-N 1 2 344.459 2.077 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001056679097 1239630342 /nfs/dbraw/zinc/63/03/42/1239630342.db2.gz CNNXDOKEUHASOZ-DOTOQJQBSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001056679097 1239630352 /nfs/dbraw/zinc/63/03/52/1239630352.db2.gz CNNXDOKEUHASOZ-DOTOQJQBSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H](C)Cc4c[nH]nc43)C[C@H]2C1 ZINC001049008071 1239731227 /nfs/dbraw/zinc/73/12/27/1239731227.db2.gz 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EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](Cc4ncnn4C(C)C)C[C@@H]3C2)C1 ZINC001049044220 1239836266 /nfs/dbraw/zinc/83/62/66/1239836266.db2.gz BLZTWQGBRGFGDV-IYBDPMFKSA-N 1 2 343.475 2.106 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ccnc(NC(C)=O)c2)CC1 ZINC001001280573 1241970605 /nfs/dbraw/zinc/97/06/05/1241970605.db2.gz UOURQFUYTWJJJA-UHFFFAOYSA-N 1 2 348.834 2.154 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ccnc(NC(C)=O)c2)CC1 ZINC001001280573 1241970631 /nfs/dbraw/zinc/97/06/31/1241970631.db2.gz UOURQFUYTWJJJA-UHFFFAOYSA-N 1 2 348.834 2.154 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccccc3)[C@@H]2C1 ZINC001050084640 1242816250 /nfs/dbraw/zinc/81/62/50/1242816250.db2.gz KJDUXVCMWXOHSN-GOEBONIOSA-N 1 2 347.846 2.300 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccccc3)[C@@H]2C1 ZINC001050084640 1242816260 /nfs/dbraw/zinc/81/62/60/1242816260.db2.gz KJDUXVCMWXOHSN-GOEBONIOSA-N 1 2 347.846 2.300 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001074036938 1242916416 /nfs/dbraw/zinc/91/64/16/1242916416.db2.gz SRWHDQUKNCYWBG-DOTOQJQBSA-N 1 2 344.459 2.005 20 30 EEEDLO Cc1ncc(C(=O)N2CCC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)[nH]1 ZINC001049998473 1243002639 /nfs/dbraw/zinc/00/26/39/1243002639.db2.gz IFPMTWQHCOMWAX-AZUAARDMSA-N 1 2 348.450 2.306 20 30 EEEDLO Cc1ncc(C(=O)N2CCC[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)[nH]1 ZINC001049998473 1243002650 /nfs/dbraw/zinc/00/26/50/1243002650.db2.gz IFPMTWQHCOMWAX-AZUAARDMSA-N 1 2 348.450 2.306 20 30 EEEDLO C#CCOCCC(=O)NC[C@H](Nc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001096727684 1243170032 /nfs/dbraw/zinc/17/00/32/1243170032.db2.gz BPJUZIWPGVJYNT-INIZCTEOSA-N 1 2 344.459 2.255 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001096779183 1243247980 /nfs/dbraw/zinc/24/79/80/1243247980.db2.gz RWRAHITVRCPULS-SWLSCSKDSA-N 1 2 346.479 2.155 20 30 EEEDLO N#Cc1ccc(N[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C2CC2)cn1 ZINC001096851350 1243369674 /nfs/dbraw/zinc/36/96/74/1243369674.db2.gz GPCHMZLJSTXDIQ-GOSISDBHSA-N 1 2 346.394 2.450 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c[nH]1 ZINC001096983147 1243542541 /nfs/dbraw/zinc/54/25/41/1243542541.db2.gz AHSMINMLPIHJPG-QRVBRYPASA-N 1 2 345.406 2.293 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c[nH]1 ZINC001096983147 1243542549 /nfs/dbraw/zinc/54/25/49/1243542549.db2.gz AHSMINMLPIHJPG-QRVBRYPASA-N 1 2 345.406 2.293 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050743628 1243666307 /nfs/dbraw/zinc/66/63/07/1243666307.db2.gz ZZLCNIGXPXESOF-HUUCEWRRSA-N 1 2 346.475 2.298 20 30 EEEDLO Cc1cc(N2CCC[C@@H](CNC(=O)[C@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001097298744 1243930486 /nfs/dbraw/zinc/93/04/86/1243930486.db2.gz UGAKKXMPLRZXDF-OCCSQVGLSA-N 1 2 327.432 2.155 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NC[C@H]1CCCN(c2cc[nH+]c(C)n2)C1)OCC ZINC001097322343 1243991685 /nfs/dbraw/zinc/99/16/85/1243991685.db2.gz VAAWWDMECZPMMJ-IAGOWNOFSA-N 1 2 346.475 2.489 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CCC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001097367030 1244053639 /nfs/dbraw/zinc/05/36/39/1244053639.db2.gz ICIVWPMUYOFKHI-GOEBONIOSA-N 1 2 332.448 2.417 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnn1C1CCCC1 ZINC001050941030 1244675060 /nfs/dbraw/zinc/67/50/60/1244675060.db2.gz UGIRUUFNGQGFSF-KRWDZBQOSA-N 1 2 346.475 2.395 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnn1C1CCCC1 ZINC001050941030 1244675072 /nfs/dbraw/zinc/67/50/72/1244675072.db2.gz UGIRUUFNGQGFSF-KRWDZBQOSA-N 1 2 346.475 2.395 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(-n2cccc2)c1 ZINC001051009272 1244839324 /nfs/dbraw/zinc/83/93/24/1244839324.db2.gz DNXARHXRZAYDOR-LJQANCHMSA-N 1 2 339.439 2.484 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(-n2cccc2)c1 ZINC001051009272 1244839334 /nfs/dbraw/zinc/83/93/34/1244839334.db2.gz DNXARHXRZAYDOR-LJQANCHMSA-N 1 2 339.439 2.484 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1coc2ccc(OC)cc21 ZINC001051019420 1244860513 /nfs/dbraw/zinc/86/05/13/1244860513.db2.gz DSZFCGZJHISDPO-AWEZNQCLSA-N 1 2 344.411 2.448 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1coc2ccc(OC)cc21 ZINC001051019420 1244860530 /nfs/dbraw/zinc/86/05/30/1244860530.db2.gz DSZFCGZJHISDPO-AWEZNQCLSA-N 1 2 344.411 2.448 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001051035995 1244888467 /nfs/dbraw/zinc/88/84/67/1244888467.db2.gz YQYDZHOUGXUMSY-HOCLYGCPSA-N 1 2 330.428 2.017 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001051035995 1244888477 /nfs/dbraw/zinc/88/84/77/1244888477.db2.gz YQYDZHOUGXUMSY-HOCLYGCPSA-N 1 2 330.428 2.017 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc2c1ccn2C ZINC001051169032 1245080288 /nfs/dbraw/zinc/08/02/88/1245080288.db2.gz PNYZZHNCPCREEG-HNNXBMFYSA-N 1 2 327.428 2.185 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc2c1ccn2C ZINC001051169032 1245080299 /nfs/dbraw/zinc/08/02/99/1245080299.db2.gz PNYZZHNCPCREEG-HNNXBMFYSA-N 1 2 327.428 2.185 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2ccccc2O1 ZINC001051168607 1245080356 /nfs/dbraw/zinc/08/03/56/1245080356.db2.gz LHVUAXYEBRPFBH-PKOBYXMFSA-N 1 2 344.455 2.163 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2ccccc2O1 ZINC001051168607 1245080364 /nfs/dbraw/zinc/08/03/64/1245080364.db2.gz LHVUAXYEBRPFBH-PKOBYXMFSA-N 1 2 344.455 2.163 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1csc(C(F)(F)F)n1 ZINC001051193699 1245372395 /nfs/dbraw/zinc/37/23/95/1245372395.db2.gz KLEGSSWMVGSYQT-SNVBAGLBSA-N 1 2 349.378 2.169 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1csc(C(F)(F)F)n1 ZINC001051193699 1245372398 /nfs/dbraw/zinc/37/23/98/1245372398.db2.gz KLEGSSWMVGSYQT-SNVBAGLBSA-N 1 2 349.378 2.169 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cn(CCCC)nc1C ZINC001051204573 1245387019 /nfs/dbraw/zinc/38/70/19/1245387019.db2.gz YBFLIZPRHUFTKC-QGZVFWFLSA-N 1 2 348.491 2.388 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(CCCC)nc1C ZINC001051204573 1245387024 /nfs/dbraw/zinc/38/70/24/1245387024.db2.gz YBFLIZPRHUFTKC-QGZVFWFLSA-N 1 2 348.491 2.388 20 30 EEEDLO C#CCCCC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001101218295 1245532111 /nfs/dbraw/zinc/53/21/11/1245532111.db2.gz YZFORYYXNVYFLH-KHYOSLBOSA-N 1 2 343.475 2.012 20 30 EEEDLO C#CCCCC(=O)N1C[C@H]2C[N@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001101218295 1245532114 /nfs/dbraw/zinc/53/21/14/1245532114.db2.gz YZFORYYXNVYFLH-KHYOSLBOSA-N 1 2 343.475 2.012 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001051461306 1245750248 /nfs/dbraw/zinc/75/02/48/1245750248.db2.gz ZSQZYLBKAMGXFX-SJORKVTESA-N 1 2 346.475 2.373 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]([C@@H](C)NC(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001051537100 1245851745 /nfs/dbraw/zinc/85/17/45/1245851745.db2.gz AAMGTUSFHQNGJQ-CABCVRRESA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001053110123 1245933488 /nfs/dbraw/zinc/93/34/88/1245933488.db2.gz YKJLZDOEGDCXBJ-HIFRSBDPSA-N 1 2 346.475 2.074 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CC2(C[NH+](CC#CC)C2)n2ccnc21 ZINC001101637258 1246070755 /nfs/dbraw/zinc/07/07/55/1246070755.db2.gz ICWGGXQQJQWKKZ-HZPDHXFCSA-N 1 2 326.444 2.081 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccc3c1O[C@H](C)C3)CCO2 ZINC001053343637 1246212284 /nfs/dbraw/zinc/21/22/84/1246212284.db2.gz VXQBSJUEXVWVJC-OAHLLOKOSA-N 1 2 342.439 2.113 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccc(OCC)c1)CCO2 ZINC001053448567 1246342314 /nfs/dbraw/zinc/34/23/14/1246342314.db2.gz HNESJNMTCNGLMV-UHFFFAOYSA-N 1 2 330.428 2.188 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCC4(CC4)C3)C2)CC1 ZINC001052026138 1246389024 /nfs/dbraw/zinc/38/90/24/1246389024.db2.gz AOLFUPMQNABBNK-RBUKOAKNSA-N 1 2 343.515 2.199 20 30 EEEDLO N#Cc1cccnc1NC1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001052028805 1246392568 /nfs/dbraw/zinc/39/25/68/1246392568.db2.gz ULNMHQRWKPENIA-UHFFFAOYSA-N 1 2 346.394 2.221 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CC[C@@H]1CC(C)(C)CO1)CCO2 ZINC001053518166 1246424222 /nfs/dbraw/zinc/42/42/22/1246424222.db2.gz NOBDFYSZVHXOOB-MRXNPFEDSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C3(C4CC4)CCC3)C2)CC1 ZINC001052056067 1246426487 /nfs/dbraw/zinc/42/64/87/1246426487.db2.gz DWMNWPUIOKNTHE-SFHVURJKSA-N 1 2 331.504 2.361 20 30 EEEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCC3(C)C)C2)CC1 ZINC001052067858 1246439790 /nfs/dbraw/zinc/43/97/90/1246439790.db2.gz PVDICGWXOOCBTK-ZWKOTPCHSA-N 1 2 331.504 2.055 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)CC1 ZINC001052069277 1246441455 /nfs/dbraw/zinc/44/14/55/1246441455.db2.gz WIAULCSRSWPORJ-LTIDMASMSA-N 1 2 337.895 2.004 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(F)ccc(C)c3F)C2)CC1 ZINC001052074915 1246449089 /nfs/dbraw/zinc/44/90/89/1246449089.db2.gz ORVQFFCGWYNCLA-HNNXBMFYSA-N 1 2 349.425 2.291 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C3(C)CCCCC3)C2)CC1 ZINC001052074914 1246449170 /nfs/dbraw/zinc/44/91/70/1246449170.db2.gz OLPQENONBMXDFM-SFHVURJKSA-N 1 2 331.504 2.199 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@]3(C)CC[C@H](C)C3(C)C)C2)CC1 ZINC001052093550 1246472574 /nfs/dbraw/zinc/47/25/74/1246472574.db2.gz NLSHVGSDXOCMOP-UEXGIBASSA-N 1 2 345.531 2.301 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C4CC4)s3)C2)CC1 ZINC001052106551 1246486026 /nfs/dbraw/zinc/48/60/26/1246486026.db2.gz OAVZQCHRKCWPIA-MRXNPFEDSA-N 1 2 343.496 2.091 20 30 EEEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(C4CC4)s3)C2)CC1 ZINC001052106551 1246486030 /nfs/dbraw/zinc/48/60/30/1246486030.db2.gz OAVZQCHRKCWPIA-MRXNPFEDSA-N 1 2 343.496 2.091 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc3cc(C)cn3c1)O2 ZINC001053609407 1246527626 /nfs/dbraw/zinc/52/76/26/1246527626.db2.gz WKBFDNMDYFGDCF-GOSISDBHSA-N 1 2 339.439 2.397 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]nc1C(C)C)O2 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/nfs/dbraw/zinc/91/29/98/1309912998.db2.gz HHMIFYCFASOVSY-UHFFFAOYSA-N 1 2 327.359 2.470 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc4cc[nH]c4c3)n2CC)CC1 ZINC001121703659 1310110149 /nfs/dbraw/zinc/11/01/49/1310110149.db2.gz BAKFVBFAUHSGHT-UHFFFAOYSA-N 1 2 334.427 2.202 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](CO)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001122379169 1310270888 /nfs/dbraw/zinc/27/08/88/1310270888.db2.gz SFSFMMXVDRVERL-GJZGRUSLSA-N 1 2 334.464 2.400 20 30 EEEDLO C=CCCNC(=S)N1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC001247623485 1310652270 /nfs/dbraw/zinc/65/22/70/1310652270.db2.gz AQDDJZUSUVYCSB-UHFFFAOYSA-N 1 2 347.484 2.041 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C[C@@H](O)CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001124774774 1310948487 /nfs/dbraw/zinc/94/84/87/1310948487.db2.gz ACVRVOYWIZQVTM-HNNXBMFYSA-N 1 2 344.459 2.250 20 30 EEEDLO C#CCC1(C(=O)NCCC2=CC[N@H+](Cc3nnc(C)o3)CC2)CCC1 ZINC001160314646 1320131184 /nfs/dbraw/zinc/13/11/84/1320131184.db2.gz OSVNITPRIMIAIL-UHFFFAOYSA-N 1 2 342.443 2.210 20 30 EEEDLO C#CCC1(C(=O)NCCC2=CC[N@@H+](Cc3nnc(C)o3)CC2)CCC1 ZINC001160314646 1320131187 /nfs/dbraw/zinc/13/11/87/1320131187.db2.gz OSVNITPRIMIAIL-UHFFFAOYSA-N 1 2 342.443 2.210 20 30 EEEDLO CC[C@H](C[NH+]1CCOCC1)Nc1nc(Br)ccc1C#N ZINC001336727664 1336586414 /nfs/dbraw/zinc/58/64/14/1336586414.db2.gz XQAISQBTLMVVLI-GFCCVEGCSA-N 1 2 339.237 2.238 20 30 EEEDLO N#Cc1ccccc1OC1C[NH+](Cc2ccc(-n3cncn3)cc2)C1 ZINC001139335536 1314732945 /nfs/dbraw/zinc/73/29/45/1314732945.db2.gz MTUNYXAREZSGEH-UHFFFAOYSA-N 1 2 331.379 2.402 20 30 EEEDLO Nc1ccc2c([nH+]1)CCCC2=NNC(=S)NCCc1cccs1 ZINC000834938036 1314889610 /nfs/dbraw/zinc/88/96/10/1314889610.db2.gz AATWRTDJMQNDAB-UHFFFAOYSA-N 1 2 345.497 2.473 20 30 EEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000841680926 1315595197 /nfs/dbraw/zinc/59/51/97/1315595197.db2.gz AUIMGKZCQFKIIO-CQSZACIVSA-N 1 2 346.431 2.210 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC000843425481 1315912830 /nfs/dbraw/zinc/91/28/30/1315912830.db2.gz PKNPBVGVUYACIO-IBGZPJMESA-N 1 2 339.395 2.222 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC000843425481 1315912831 /nfs/dbraw/zinc/91/28/31/1315912831.db2.gz PKNPBVGVUYACIO-IBGZPJMESA-N 1 2 339.395 2.222 20 30 EEEDLO C#CCCCC(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2ncc(C)o2)CCCO1 ZINC001149639597 1316003949 /nfs/dbraw/zinc/00/39/49/1316003949.db2.gz NCLTWAXFNZPMCS-JKSUJKDBSA-N 1 2 333.432 2.055 20 30 EEEDLO C#CCCCC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2ncc(C)o2)CCCO1 ZINC001149639597 1316003953 /nfs/dbraw/zinc/00/39/53/1316003953.db2.gz NCLTWAXFNZPMCS-JKSUJKDBSA-N 1 2 333.432 2.055 20 30 EEEDLO C#CCC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccns3)CCCO2)CCC1 ZINC001149842187 1316063062 /nfs/dbraw/zinc/06/30/62/1316063062.db2.gz QRROTAMCACIPCL-OAHLLOKOSA-N 1 2 347.484 2.044 20 30 EEEDLO C#CCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccns3)CCCO2)CCC1 ZINC001149842187 1316063069 /nfs/dbraw/zinc/06/30/69/1316063069.db2.gz QRROTAMCACIPCL-OAHLLOKOSA-N 1 2 347.484 2.044 20 30 EEEDLO CC#CCCCC(=O)NC[C@@H]1C[N@H+](Cc2ccc(F)cn2)CCCO1 ZINC001150165151 1316187108 /nfs/dbraw/zinc/18/71/08/1316187108.db2.gz IKTYCROUFSAKHY-GOSISDBHSA-N 1 2 347.434 2.121 20 30 EEEDLO CC#CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(F)cn2)CCCO1 ZINC001150165151 1316187112 /nfs/dbraw/zinc/18/71/12/1316187112.db2.gz IKTYCROUFSAKHY-GOSISDBHSA-N 1 2 347.434 2.121 20 30 EEEDLO C=CC[C@H](Cc1ccccc1)C(=O)NCC[NH2+]Cc1nncs1 ZINC001151906218 1316606213 /nfs/dbraw/zinc/60/62/13/1316606213.db2.gz BKYHQHFMYCRUIK-OAHLLOKOSA-N 1 2 330.457 2.179 20 30 EEEDLO C=CCOc1ccc(-c2noc([C@@H]([NH3+])CC[S@@](C)=O)n2)c(F)c1 ZINC001249249024 1317035006 /nfs/dbraw/zinc/03/50/06/1317035006.db2.gz KJFKKDGUPUTCDU-ZAMGYDSWSA-N 1 2 339.392 2.209 20 30 EEEDLO C=C[C@H](O)CNc1ccc[nH+]c1N1CCN(C(=O)OCCCC)CC1 ZINC001253572101 1317885173 /nfs/dbraw/zinc/88/51/73/1317885173.db2.gz KRUGAUTZDSWHAS-HNNXBMFYSA-N 1 2 348.447 2.099 20 30 EEEDLO C=CC[C@H]([NH2+][C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)C(=O)OC ZINC001254890806 1318219862 /nfs/dbraw/zinc/21/98/62/1318219862.db2.gz IJHCGGQSTISWEA-XGUBFFRZSA-N 1 2 338.448 2.339 20 30 EEEDLO Cc1cccc(C)c1C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001278903220 1318590029 /nfs/dbraw/zinc/59/00/29/1318590029.db2.gz GJWFKLTXSWYFSH-UHFFFAOYSA-N 1 2 348.450 2.472 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cnc5[nH]ccc5c4)C3)C2)cc1C#N ZINC001278987331 1318923656 /nfs/dbraw/zinc/92/36/56/1318923656.db2.gz XUFYNVAQEGFJKS-UHFFFAOYSA-N 1 2 346.438 2.091 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H](N1CC[NH2+]C[C@@H]1C#N)C2 ZINC001257808825 1319081897 /nfs/dbraw/zinc/08/18/97/1319081897.db2.gz GAXANWXTSOJXFK-BXWFABGCSA-N 1 2 348.491 2.354 20 30 EEEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cn(CC)nn1 ZINC001158357656 1319198806 /nfs/dbraw/zinc/19/88/06/1319198806.db2.gz MHBWDCBVMHSUBU-GOSISDBHSA-N 1 2 345.491 2.305 20 30 EEEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cn(CC)nn1 ZINC001158357656 1319198809 /nfs/dbraw/zinc/19/88/09/1319198809.db2.gz MHBWDCBVMHSUBU-GOSISDBHSA-N 1 2 345.491 2.305 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cn(C)nn1 ZINC001158377138 1319211194 /nfs/dbraw/zinc/21/11/94/1319211194.db2.gz GSEVHOGVKNKLPC-DOTOQJQBSA-N 1 2 333.480 2.230 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cn(C)nn1 ZINC001158377138 1319211206 /nfs/dbraw/zinc/21/12/06/1319211206.db2.gz GSEVHOGVKNKLPC-DOTOQJQBSA-N 1 2 333.480 2.230 20 30 EEEDLO C#CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1)C(=O)OC ZINC001258551618 1319290280 /nfs/dbraw/zinc/29/02/80/1319290280.db2.gz LOZLZUQJOQFWIP-KBPBESRZSA-N 1 2 338.448 2.319 20 30 EEEDLO C=CCC[C@@H](C)[N@@H+]1CC(=O)NC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001258725733 1319327746 /nfs/dbraw/zinc/32/77/46/1319327746.db2.gz MQZSRZQYZSQOAS-RDTXWAMCSA-N 1 2 337.464 2.153 20 30 EEEDLO C=CCC[C@@H](C)[N@H+]1CC(=O)NC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001258725733 1319327756 /nfs/dbraw/zinc/32/77/56/1319327756.db2.gz MQZSRZQYZSQOAS-RDTXWAMCSA-N 1 2 337.464 2.153 20 30 EEEDLO N#Cc1cccc(S(=O)(=O)N2CCC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC001259123089 1319449669 /nfs/dbraw/zinc/44/96/69/1319449669.db2.gz NVIJSGMORHVKSP-INIZCTEOSA-N 1 2 343.408 2.185 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc(C)n(C)n1 ZINC001158966626 1319535898 /nfs/dbraw/zinc/53/58/98/1319535898.db2.gz NXTFIDCLXDWZKK-SJLPKXTDSA-N 1 2 348.491 2.133 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc(C)n(C)n1 ZINC001158966626 1319535903 /nfs/dbraw/zinc/53/59/03/1319535903.db2.gz NXTFIDCLXDWZKK-SJLPKXTDSA-N 1 2 348.491 2.133 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001161972606 1320701678 /nfs/dbraw/zinc/70/16/78/1320701678.db2.gz GYWNTPPKMSPHBU-CQSZACIVSA-N 1 2 335.473 2.373 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001161972606 1320701680 /nfs/dbraw/zinc/70/16/80/1320701680.db2.gz GYWNTPPKMSPHBU-CQSZACIVSA-N 1 2 335.473 2.373 20 30 EEEDLO C=CCCOCC(=O)NCCC1=CC[N@H+]([C@H](C)c2ncccn2)CC1 ZINC001161978316 1320705689 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C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001265282860 1323033104 /nfs/dbraw/zinc/03/31/04/1323033104.db2.gz ZHUJMDRCZYEOAQ-SUMWQHHRSA-N 1 2 340.826 2.497 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001265282860 1323033109 /nfs/dbraw/zinc/03/31/09/1323033109.db2.gz ZHUJMDRCZYEOAQ-SUMWQHHRSA-N 1 2 340.826 2.497 20 30 EEEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1C ZINC001206967980 1323755639 /nfs/dbraw/zinc/75/56/39/1323755639.db2.gz JWSJFJCFNDIVSS-IAGOWNOFSA-N 1 2 348.491 2.120 20 30 EEEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1C ZINC001206967980 1323755643 /nfs/dbraw/zinc/75/56/43/1323755643.db2.gz JWSJFJCFNDIVSS-IAGOWNOFSA-N 1 2 348.491 2.120 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC001207657141 1324074044 /nfs/dbraw/zinc/07/40/44/1324074044.db2.gz RZNSFGBZLJMRST-AWEZNQCLSA-N 1 2 330.388 2.376 20 30 EEEDLO C=CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC001316602477 1324138920 /nfs/dbraw/zinc/13/89/20/1324138920.db2.gz AJUWLAGBLTUGGC-DLBZAZTESA-N 1 2 335.492 2.134 20 30 EEEDLO C=CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC001316602477 1324138927 /nfs/dbraw/zinc/13/89/27/1324138927.db2.gz AJUWLAGBLTUGGC-DLBZAZTESA-N 1 2 335.492 2.134 20 30 EEEDLO C#CCCCCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nc(CC)no2)C1 ZINC001207863262 1324187065 /nfs/dbraw/zinc/18/70/65/1324187065.db2.gz JZOGGGGJRRDPQH-GJZGRUSLSA-N 1 2 332.448 2.467 20 30 EEEDLO CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)C#CC(C)(C)C)C2)o1 ZINC001208011110 1324264425 /nfs/dbraw/zinc/26/44/25/1324264425.db2.gz VZEZOTBCMGRIGZ-AWEZNQCLSA-N 1 2 332.448 2.323 20 30 EEEDLO CO[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C(C)C ZINC001208499740 1324528253 /nfs/dbraw/zinc/52/82/53/1324528253.db2.gz AEWGVCDLRUOHOZ-XWIAVFTESA-N 1 2 347.434 2.305 20 30 EEEDLO CO[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C(C)C ZINC001208499740 1324528257 /nfs/dbraw/zinc/52/82/57/1324528257.db2.gz AEWGVCDLRUOHOZ-XWIAVFTESA-N 1 2 347.434 2.305 20 30 EEEDLO CC#CCCCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nc(CC)no2)C1 ZINC001209110620 1324803226 /nfs/dbraw/zinc/80/32/26/1324803226.db2.gz CGUYQYYYQBUVGW-GJZGRUSLSA-N 1 2 332.448 2.467 20 30 EEEDLO C=CCOC(=O)N1CC[NH+](C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 ZINC001209474612 1324942542 /nfs/dbraw/zinc/94/25/42/1324942542.db2.gz QDDIOMKLOOHJSN-CQSZACIVSA-N 1 2 341.452 2.230 20 30 EEEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)C=C3CCC3)CC2)cc1 ZINC001313443856 1331806653 /nfs/dbraw/zinc/80/66/53/1331806653.db2.gz DYTNQOCQWBBMOW-UHFFFAOYSA-N 1 2 325.412 2.343 20 30 EEEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc([C@H]([NH3+])c2ccccc2)no1 ZINC001326485722 1334102755 /nfs/dbraw/zinc/10/27/55/1334102755.db2.gz IWHVAGJAKCLTKH-QGZVFWFLSA-N 1 2 349.394 2.492 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)CCCF ZINC001338693988 1336894974 /nfs/dbraw/zinc/89/49/74/1336894974.db2.gz SQTPIWOKQPWVKI-CQSZACIVSA-N 1 2 325.432 2.042 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)CCCF ZINC001338693988 1336894975 /nfs/dbraw/zinc/89/49/75/1336894975.db2.gz SQTPIWOKQPWVKI-CQSZACIVSA-N 1 2 325.432 2.042 20 30 EEEDLO C#CCN(CC)c1nnc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC(C)C ZINC001347358031 1337505755 /nfs/dbraw/zinc/50/57/55/1337505755.db2.gz YTJBEGHIKVXVEW-DLBZAZTESA-N 1 2 345.491 2.319 20 30 EEEDLO C#CCN(CC)c1nnc([C@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC(C)C ZINC001347358031 1337505758 /nfs/dbraw/zinc/50/57/58/1337505758.db2.gz YTJBEGHIKVXVEW-DLBZAZTESA-N 1 2 345.491 2.319 20 30 EEEDLO CCC(CC)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001100054353 1337957115 /nfs/dbraw/zinc/95/71/15/1337957115.db2.gz VNPLSCAILSJNML-OALUTQOASA-N 1 2 343.471 2.436 20 30 EEEDLO CCC(CC)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001100054353 1337957117 /nfs/dbraw/zinc/95/71/17/1337957117.db2.gz VNPLSCAILSJNML-OALUTQOASA-N 1 2 343.471 2.436 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@H](OC(C)C)C1 ZINC001355941466 1338770856 /nfs/dbraw/zinc/77/08/56/1338770856.db2.gz HDWKLOGERQSROR-MRXNPFEDSA-N 1 2 333.480 2.454 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@H](C2CCC2)C1 ZINC001356152437 1338801317 /nfs/dbraw/zinc/80/13/17/1338801317.db2.gz DOXRJKXEOOGSQA-HNNXBMFYSA-N 1 2 326.448 2.415 20 30 EEEDLO C=C(Br)C[NH2+][C@H]1C[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001436348443 1342044425 /nfs/dbraw/zinc/04/44/25/1342044425.db2.gz NHCJOKCEPPDYLW-YIZRAAEISA-N 1 2 347.150 2.280 20 30 EEEDLO C=C(Br)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001436348443 1342044427 /nfs/dbraw/zinc/04/44/27/1342044427.db2.gz NHCJOKCEPPDYLW-YIZRAAEISA-N 1 2 347.150 2.280 20 30 EEEDLO N#C[C@H]1C[NH2+]CCN1CC(=O)N1c2ccccc2CCc2ccccc21 ZINC001580045672 1344457859 /nfs/dbraw/zinc/45/78/59/1344457859.db2.gz WFYGDGXHPDRLRV-SFHVURJKSA-N 1 2 346.434 2.247 20 30 EEEDLO N#Cc1cnn(-c2ccccc2NC(=O)c2cccc3[nH+]ccn32)c1N ZINC001627133489 1352484147 /nfs/dbraw/zinc/48/41/47/1352484147.db2.gz YXSZSURMJWEECJ-UHFFFAOYSA-N 1 2 343.350 2.226 20 30 EEEDLO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cn(CC)nn2)ccc1OC ZINC001646358012 1352834114 /nfs/dbraw/zinc/83/41/14/1352834114.db2.gz UUZRZSZRFHLWCS-HNNXBMFYSA-N 1 2 329.404 2.277 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3nc(C)oc3C)C[C@H]21 ZINC001187226140 1368235491 /nfs/dbraw/zinc/23/54/91/1368235491.db2.gz OWTZLHMYAVBURN-QILLFSRXSA-N 1 2 347.459 2.305 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3nc(C)oc3C)C[C@H]21 ZINC001187226140 1368235498 /nfs/dbraw/zinc/23/54/98/1368235498.db2.gz OWTZLHMYAVBURN-QILLFSRXSA-N 1 2 347.459 2.305 20 30 EEEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(Cl)nc3)C[C@H]21 ZINC001187804600 1368268703 /nfs/dbraw/zinc/26/87/03/1368268703.db2.gz OFWKWECHDZGFGA-JKSUJKDBSA-N 1 2 331.847 2.427 20 30 EEEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(Cl)nc3)C[C@H]21 ZINC001187804600 1368268708 /nfs/dbraw/zinc/26/87/08/1368268708.db2.gz OFWKWECHDZGFGA-JKSUJKDBSA-N 1 2 331.847 2.427 20 30 EEEDLO N#Cc1ccc(C(=O)N2CCCC3(C[NH+](Cc4cn[nH]c4)C3)C2)s1 ZINC001273698767 1368523050 /nfs/dbraw/zinc/52/30/50/1368523050.db2.gz BIIGFZLGQBDIPF-UHFFFAOYSA-N 1 2 341.440 2.081 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001069729237 1370235024 /nfs/dbraw/zinc/23/50/24/1370235024.db2.gz VIABQQSBALZKIA-LJQANCHMSA-N 1 2 344.459 2.068 20 30 EEEDLO C=CCCC(=O)N1CCC[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001069729236 1370235363 /nfs/dbraw/zinc/23/53/63/1370235363.db2.gz VIABQQSBALZKIA-IBGZPJMESA-N 1 2 344.459 2.068 20 30 EEEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OC1CCN(CC#N)CC1 ZINC000796768353 1371465395 /nfs/dbraw/zinc/46/53/95/1371465395.db2.gz AJEOCHRODZTPLF-UHFFFAOYSA-N 1 2 348.353 2.154 20 30 EEEDLO C[C@@H](CCCNc1ccc(C#N)nc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001115110651 1371524950 /nfs/dbraw/zinc/52/49/50/1371524950.db2.gz ZSZYUTMULQFSPR-APHBMKBZSA-N 1 2 338.415 2.177 20 30 EEEDLO C[C@@H](CCCNc1ccc(C#N)nc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001115110651 1371524953 /nfs/dbraw/zinc/52/49/53/1371524953.db2.gz ZSZYUTMULQFSPR-APHBMKBZSA-N 1 2 338.415 2.177 20 30 EEEDLO Cc1cccc([C@H]2C(=O)NCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000848951518 1373196201 /nfs/dbraw/zinc/19/62/01/1373196201.db2.gz XOWGGFXRYWAZAU-OALUTQOASA-N 1 2 335.407 2.073 20 30 EEEDLO Cc1cccc([C@H]2C(=O)NCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000848951518 1373196205 /nfs/dbraw/zinc/19/62/05/1373196205.db2.gz XOWGGFXRYWAZAU-OALUTQOASA-N 1 2 335.407 2.073 20 30 EEEDLO C[N@H+](CCNC(=O)c1cc(C(C)(C)C)n[nH]1)Cc1ccccc1C#N ZINC001366545850 1373946239 /nfs/dbraw/zinc/94/62/39/1373946239.db2.gz NZNWPPRKKGLPML-UHFFFAOYSA-N 1 2 339.443 2.441 20 30 EEEDLO C[N@@H+](CCNC(=O)c1cc(C(C)(C)C)n[nH]1)Cc1ccccc1C#N ZINC001366545850 1373946241 /nfs/dbraw/zinc/94/62/41/1373946241.db2.gz NZNWPPRKKGLPML-UHFFFAOYSA-N 1 2 339.443 2.441 20 30 EEEDLO CC(C)c1ccc([C@@H](C)[NH+]2CC(O)(CNC(=O)[C@H](C)C#N)C2)cc1 ZINC001368292425 1374362224 /nfs/dbraw/zinc/36/22/24/1374362224.db2.gz YLBWHYJRFMCVIF-HUUCEWRRSA-N 1 2 329.444 2.194 20 30 EEEDLO CC(C)(C)CC(=O)NCCN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001369878343 1374697152 /nfs/dbraw/zinc/69/71/52/1374697152.db2.gz RGRXSEBFSISCHJ-UHFFFAOYSA-N 1 2 348.516 2.290 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCCCN1C(=O)CCC ZINC001372476828 1376027949 /nfs/dbraw/zinc/02/79/49/1376027949.db2.gz SRWXUDFHJPKFHY-OAHLLOKOSA-N 1 2 343.899 2.358 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCCCN1C(=O)CCC ZINC001372476828 1376027953 /nfs/dbraw/zinc/02/79/53/1376027953.db2.gz SRWXUDFHJPKFHY-OAHLLOKOSA-N 1 2 343.899 2.358 20 30 EEEDLO Cc1ncccc1CC(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001377220393 1379049073 /nfs/dbraw/zinc/04/90/73/1379049073.db2.gz BIUQYIGPXMEPSG-UHFFFAOYSA-N 1 2 340.402 2.192 20 30 EEEDLO Cc1ncccc1CC(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001377220393 1379049074 /nfs/dbraw/zinc/04/90/74/1379049074.db2.gz BIUQYIGPXMEPSG-UHFFFAOYSA-N 1 2 340.402 2.192 20 30 EEEDLO C[N@H+](CCNC(=O)Cc1cccc(F)c1)Cc1ccccc1C#N ZINC001377252344 1379075186 /nfs/dbraw/zinc/07/51/86/1379075186.db2.gz SEJGSWOIBVUJBF-UHFFFAOYSA-N 1 2 325.387 2.488 20 30 EEEDLO C[N@@H+](CCNC(=O)Cc1cccc(F)c1)Cc1ccccc1C#N ZINC001377252344 1379075187 /nfs/dbraw/zinc/07/51/87/1379075187.db2.gz SEJGSWOIBVUJBF-UHFFFAOYSA-N 1 2 325.387 2.488 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cccc(-n2ccnn2)c1 ZINC001377378950 1379186677 /nfs/dbraw/zinc/18/66/77/1379186677.db2.gz RYXFYKADRGFQMO-UHFFFAOYSA-N 1 2 333.823 2.072 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cccc(-n2ccnn2)c1 ZINC001377378950 1379186678 /nfs/dbraw/zinc/18/66/78/1379186678.db2.gz RYXFYKADRGFQMO-UHFFFAOYSA-N 1 2 333.823 2.072 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)COC1CCCC1 ZINC001377388570 1379195832 /nfs/dbraw/zinc/19/58/32/1379195832.db2.gz VSHHNHDHNKSCOV-CYBMUJFWSA-N 1 2 345.281 2.435 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)COC1CCCC1 ZINC001377388570 1379195834 /nfs/dbraw/zinc/19/58/34/1379195834.db2.gz VSHHNHDHNKSCOV-CYBMUJFWSA-N 1 2 345.281 2.435 20 30 EEEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)C2CC3(CC3)C2)CC1 ZINC001377734484 1379482843 /nfs/dbraw/zinc/48/28/43/1379482843.db2.gz TYUYZTLZMPPQHD-UHFFFAOYSA-N 1 2 325.884 2.005 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@H](C)NC(=O)C1CCCC1 ZINC001379142979 1380574220 /nfs/dbraw/zinc/57/42/20/1380574220.db2.gz HBTPGIQHTPLQLI-AWEZNQCLSA-N 1 2 343.899 2.214 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@H](C)NC(=O)C1CCCC1 ZINC001379142979 1380574222 /nfs/dbraw/zinc/57/42/22/1380574222.db2.gz HBTPGIQHTPLQLI-AWEZNQCLSA-N 1 2 343.899 2.214 20 30 EEEDLO COc1cc(C(=O)NCC[N@H+](C)Cc2cc(C#N)ccc2F)sn1 ZINC001390764398 1388770474 /nfs/dbraw/zinc/77/04/74/1388770474.db2.gz GKCSSSJXTPJOTP-UHFFFAOYSA-N 1 2 348.403 2.024 20 30 EEEDLO COc1cc(C(=O)NCC[N@@H+](C)Cc2cc(C#N)ccc2F)sn1 ZINC001390764398 1388770476 /nfs/dbraw/zinc/77/04/76/1388770476.db2.gz GKCSSSJXTPJOTP-UHFFFAOYSA-N 1 2 348.403 2.024 20 30 EEEDLO C=CCOCCCC(=O)N(C)C1CC[NH+](Cc2nccc(C)n2)CC1 ZINC001752298142 1406269892 /nfs/dbraw/zinc/26/98/92/1406269892.db2.gz QDCPSQKVOVGSMK-UHFFFAOYSA-N 1 2 346.475 2.191 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CC12CC[NH+]([C@H](C)c1nnc(CC)[nH]1)CC2 ZINC001752419306 1406298739 /nfs/dbraw/zinc/29/87/39/1406298739.db2.gz FBANQBQZTAUKGB-HUUCEWRRSA-N 1 2 343.475 2.202 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3noc(C4CC4)n3)C2)CCC1 ZINC001752660506 1406330039 /nfs/dbraw/zinc/33/00/39/1406330039.db2.gz GWSAAQHXEXYGOZ-HDJSIYSDSA-N 1 2 330.432 2.430 20 30 EEEDLO C[C@H](C#N)C(=O)N(C)CC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001391330140 1389267423 /nfs/dbraw/zinc/26/74/23/1389267423.db2.gz DBXPJYABPYVQNT-OAHLLOKOSA-N 1 2 348.878 2.076 20 30 EEEDLO CO[C@H](CC(C)C)C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001391500888 1389400831 /nfs/dbraw/zinc/40/08/31/1389400831.db2.gz DIJQTKDYWUWTJS-GOSISDBHSA-N 1 2 347.434 2.306 20 30 EEEDLO C#CCCCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ncnn2C(C)C)C1 ZINC001752781662 1406396033 /nfs/dbraw/zinc/39/60/33/1406396033.db2.gz WOUVIEBFJUPNKW-QGZVFWFLSA-N 1 2 345.491 2.381 20 30 EEEDLO C#CCCCCC(=O)NC[C@H]1CCC[N@H+](Cc2ncnn2C(C)C)C1 ZINC001752781662 1406396043 /nfs/dbraw/zinc/39/60/43/1406396043.db2.gz WOUVIEBFJUPNKW-QGZVFWFLSA-N 1 2 345.491 2.381 20 30 EEEDLO Cc1nc([C@@H](C)[N@@H+](C)CCC2CCN(C(=O)[C@@H](C)C#N)CC2)no1 ZINC001392187981 1389877040 /nfs/dbraw/zinc/87/70/40/1389877040.db2.gz NGTOPRDMLPMUEA-QWHCGFSZSA-N 1 2 333.436 2.159 20 30 EEEDLO Cc1nc([C@@H](C)[N@H+](C)CCC2CCN(C(=O)[C@@H](C)C#N)CC2)no1 ZINC001392187981 1389877047 /nfs/dbraw/zinc/87/70/47/1389877047.db2.gz NGTOPRDMLPMUEA-QWHCGFSZSA-N 1 2 333.436 2.159 20 30 EEEDLO C[C@H](CNC(=O)C#CC(C)(C)C)[NH2+]Cc1nc(C2CCCC2)no1 ZINC001752868477 1406499354 /nfs/dbraw/zinc/49/93/54/1406499354.db2.gz BGLHVESBYWNSQI-CYBMUJFWSA-N 1 2 332.448 2.371 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC[C@H](C)[NH2+]Cc1ncc(CC)o1 ZINC001752913838 1406540379 /nfs/dbraw/zinc/54/03/79/1406540379.db2.gz LOLANPIIKUPPBC-AWEZNQCLSA-N 1 2 325.412 2.055 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CCc1cn(C)nc1C ZINC001398751768 1394174917 /nfs/dbraw/zinc/17/49/17/1394174917.db2.gz KBJSYHDLUGOCIB-MRXNPFEDSA-N 1 2 338.883 2.384 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ZINC001063192086 790321261 /nfs/dbraw/zinc/32/12/61/790321261.db2.gz DVRMRVLHSJVPNR-CABCVRRESA-N 1 2 346.475 2.346 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001105979793 790312931 /nfs/dbraw/zinc/31/29/31/790312931.db2.gz CBYOZGYQSQBGSR-AWEZNQCLSA-N 1 2 332.448 2.154 20 30 EEEDLO CC(C)[C@@H](C)C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083212030 759381293 /nfs/dbraw/zinc/38/12/93/759381293.db2.gz BMOWPDRPUXTLGJ-YZGWKJHDSA-N 1 2 340.467 2.242 20 30 EEEDLO CC(C)[C@@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083212030 759381302 /nfs/dbraw/zinc/38/13/02/759381302.db2.gz BMOWPDRPUXTLGJ-YZGWKJHDSA-N 1 2 340.467 2.242 20 30 EEEDLO CC(C)[C@H](C)C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083212029 759381759 /nfs/dbraw/zinc/38/17/59/759381759.db2.gz BMOWPDRPUXTLGJ-YSIASYRMSA-N 1 2 340.467 2.242 20 30 EEEDLO CC(C)[C@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083212029 759381769 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343.402 2.125 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1CNC(=O)C1=CCOCC1 ZINC001027841588 773389010 /nfs/dbraw/zinc/38/90/10/773389010.db2.gz IUZKSVVDTFSTIA-SFHVURJKSA-N 1 2 343.402 2.125 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CNC(=O)C1=CCOCC1 ZINC001027841587 773389275 /nfs/dbraw/zinc/38/92/75/773389275.db2.gz IUZKSVVDTFSTIA-GOSISDBHSA-N 1 2 343.402 2.125 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1CNC(=O)C1=CCOCC1 ZINC001027841587 773389282 /nfs/dbraw/zinc/38/92/82/773389282.db2.gz IUZKSVVDTFSTIA-GOSISDBHSA-N 1 2 343.402 2.125 20 30 EEEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1)c1ncccc1O ZINC001027843879 773413465 /nfs/dbraw/zinc/41/34/65/773413465.db2.gz ILPKIUAMZOIOQK-KRWDZBQOSA-N 1 2 335.407 2.033 20 30 EEEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1)c1ncccc1O ZINC001027843879 773413467 /nfs/dbraw/zinc/41/34/67/773413467.db2.gz ILPKIUAMZOIOQK-KRWDZBQOSA-N 1 2 335.407 2.033 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060756472 774370963 /nfs/dbraw/zinc/37/09/63/774370963.db2.gz QXYFPLXHSNWHBP-ULQDDVLXSA-N 1 2 346.475 2.277 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000938695182 774421713 /nfs/dbraw/zinc/42/17/13/774421713.db2.gz NFLKACZSNVQVJK-HNNXBMFYSA-N 1 2 344.459 2.000 20 30 EEEDLO CCO[C@H]1C[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000980748816 775434998 /nfs/dbraw/zinc/43/49/98/775434998.db2.gz NQDUVFREFBGPKS-CVEARBPZSA-N 1 2 333.457 2.079 20 30 EEEDLO CCO[C@H]1C[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000980748816 775435002 /nfs/dbraw/zinc/43/50/02/775435002.db2.gz NQDUVFREFBGPKS-CVEARBPZSA-N 1 2 333.457 2.079 20 30 EEEDLO CO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075592190 775489652 /nfs/dbraw/zinc/48/96/52/775489652.db2.gz JYIYDQFJMNDRTN-QILLFSRXSA-N 1 2 346.858 2.259 20 30 EEEDLO CO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075592190 775489657 /nfs/dbraw/zinc/48/96/57/775489657.db2.gz JYIYDQFJMNDRTN-QILLFSRXSA-N 1 2 346.858 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776259457 /nfs/dbraw/zinc/25/94/57/776259457.db2.gz ARULPLHFEQIYQC-SFHVURJKSA-N 1 2 345.418 2.301 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)[C@@H]3CCCCO3)CC2)c1 ZINC000980983790 776259465 /nfs/dbraw/zinc/25/94/65/776259465.db2.gz ARULPLHFEQIYQC-SFHVURJKSA-N 1 2 345.418 2.301 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C[C@H]1C ZINC000939463975 776586053 /nfs/dbraw/zinc/58/60/53/776586053.db2.gz MBKSYHMAMAXVKU-ABAIWWIYSA-N 1 2 345.834 2.274 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001031825499 776708860 /nfs/dbraw/zinc/70/88/60/776708860.db2.gz MRHHQVSODHHLIL-HXUWFJFHSA-N 1 2 347.418 2.110 20 30 EEEDLO Cc1nc(N2CC=C(CCNC(=O)C#CC3CC3)CC2)c(C)c(C)[nH+]1 ZINC001089831961 777327579 /nfs/dbraw/zinc/32/75/79/777327579.db2.gz LUCAAQASYNKXCL-UHFFFAOYSA-N 1 2 338.455 2.458 20 30 EEEDLO Cc1nc(NCC[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)cc[nH+]1 ZINC001063274236 790542989 /nfs/dbraw/zinc/54/29/89/790542989.db2.gz MRAYLUGXIUCIGZ-AWEZNQCLSA-N 1 2 338.415 2.339 20 30 EEEDLO Cc1csc(CON=C(N)[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000181850236 777835011 /nfs/dbraw/zinc/83/50/11/777835011.db2.gz URTFRIVGOGSIKO-OAHLLOKOSA-N 1 2 346.456 2.141 20 30 EEEDLO Cc1csc(CON=C(N)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000181850236 777835022 /nfs/dbraw/zinc/83/50/22/777835022.db2.gz URTFRIVGOGSIKO-OAHLLOKOSA-N 1 2 346.456 2.141 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cn2ncc3cc(C)cnc32)CC1 ZINC000981629937 777844289 /nfs/dbraw/zinc/84/42/89/777844289.db2.gz QUSRIRIIQOLSQQ-UHFFFAOYSA-N 1 2 347.850 2.027 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cn2ncc3cc(C)cnc32)CC1 ZINC000981629937 777844300 /nfs/dbraw/zinc/84/43/00/777844300.db2.gz QUSRIRIIQOLSQQ-UHFFFAOYSA-N 1 2 347.850 2.027 20 30 EEEDLO C[C@@H]1CO[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)C1 ZINC000981647348 777909976 /nfs/dbraw/zinc/90/99/76/777909976.db2.gz ZRJYCZXUBIMYDJ-BBRMVZONSA-N 1 2 333.457 2.079 20 30 EEEDLO C[C@@H]1CO[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)C1 ZINC000981647348 777909981 /nfs/dbraw/zinc/90/99/81/777909981.db2.gz ZRJYCZXUBIMYDJ-BBRMVZONSA-N 1 2 333.457 2.079 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)[C@H](CC)OC)C2)C1 ZINC000981658257 777923968 /nfs/dbraw/zinc/92/39/68/777923968.db2.gz GANBEHKGSLGXLT-ZDUSSCGKSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)OC)C2)C1 ZINC000981658257 777923971 /nfs/dbraw/zinc/92/39/71/777923971.db2.gz GANBEHKGSLGXLT-ZDUSSCGKSA-N 1 2 345.281 2.244 20 30 EEEDLO Cc1ncc(C(=O)N2CC3(C2)CCC[N@H+](CC#Cc2ccccc2)C3)[nH]1 ZINC000981670352 777952675 /nfs/dbraw/zinc/95/26/75/777952675.db2.gz RVWBQAZHEDQXFU-UHFFFAOYSA-N 1 2 348.450 2.308 20 30 EEEDLO Cc1ncc(C(=O)N2CC3(C2)CCC[N@@H+](CC#Cc2ccccc2)C3)[nH]1 ZINC000981670352 777952684 /nfs/dbraw/zinc/95/26/84/777952684.db2.gz RVWBQAZHEDQXFU-UHFFFAOYSA-N 1 2 348.450 2.308 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC000981671732 777953879 /nfs/dbraw/zinc/95/38/79/777953879.db2.gz GFBWXZILBFDJSF-ZDUSSCGKSA-N 1 2 328.416 2.136 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC000981671732 777953890 /nfs/dbraw/zinc/95/38/90/777953890.db2.gz GFBWXZILBFDJSF-ZDUSSCGKSA-N 1 2 328.416 2.136 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC000981672214 777956357 /nfs/dbraw/zinc/95/63/57/777956357.db2.gz PMYJNLVKVKXAED-CQSZACIVSA-N 1 2 340.402 2.281 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC000981672214 777956361 /nfs/dbraw/zinc/95/63/61/777956361.db2.gz PMYJNLVKVKXAED-CQSZACIVSA-N 1 2 340.402 2.281 20 30 EEEDLO CO[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1)C1CCC1 ZINC000981700967 778038598 /nfs/dbraw/zinc/03/85/98/778038598.db2.gz BFRURNQAVKHKME-KRWDZBQOSA-N 1 2 347.484 2.469 20 30 EEEDLO CO[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1)C1CCC1 ZINC000981700967 778038607 /nfs/dbraw/zinc/03/86/07/778038607.db2.gz BFRURNQAVKHKME-KRWDZBQOSA-N 1 2 347.484 2.469 20 30 EEEDLO N#Cc1cc(C(=O)N2CC3(C2)CCC[N@H+](Cc2cscn2)C3)c[nH]1 ZINC000981722547 778072994 /nfs/dbraw/zinc/07/29/94/778072994.db2.gz ZDRBFJOXOILNID-UHFFFAOYSA-N 1 2 341.440 2.081 20 30 EEEDLO N#Cc1cc(C(=O)N2CC3(C2)CCC[N@@H+](Cc2cscn2)C3)c[nH]1 ZINC000981722547 778073006 /nfs/dbraw/zinc/07/30/06/778073006.db2.gz ZDRBFJOXOILNID-UHFFFAOYSA-N 1 2 341.440 2.081 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@H+](CC(=O)N2CCC[C@@H](C)C2)CC1 ZINC000981887857 778486653 /nfs/dbraw/zinc/48/66/53/778486653.db2.gz RLHFLYOGVQRSOV-YLJYHZDGSA-N 1 2 349.519 2.382 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](CC(=O)N2CCC[C@@H](C)C2)CC1 ZINC000981887857 778486660 /nfs/dbraw/zinc/48/66/60/778486660.db2.gz RLHFLYOGVQRSOV-YLJYHZDGSA-N 1 2 349.519 2.382 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+](Cc2ccon2)C3)cc1 ZINC000981931442 778579711 /nfs/dbraw/zinc/57/97/11/778579711.db2.gz ZAUWZAZXBXONQJ-UHFFFAOYSA-N 1 2 335.407 2.394 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@@H+](Cc2ccon2)C3)cc1 ZINC000981931442 778579717 /nfs/dbraw/zinc/57/97/17/778579717.db2.gz ZAUWZAZXBXONQJ-UHFFFAOYSA-N 1 2 335.407 2.394 20 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EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)nc(C)n1 ZINC001088919183 791541264 /nfs/dbraw/zinc/54/12/64/791541264.db2.gz RFTUUZVNCCYQOF-KDOFPFPSSA-N 1 2 349.438 2.358 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)nc(C)n1 ZINC001088919183 791541269 /nfs/dbraw/zinc/54/12/69/791541269.db2.gz RFTUUZVNCCYQOF-KDOFPFPSSA-N 1 2 349.438 2.358 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@H](CC)C(C)(C)C)C2)nn1 ZINC001098767321 791721567 /nfs/dbraw/zinc/72/15/67/791721567.db2.gz LCTPJDREKRHTEC-RDJZCZTQSA-N 1 2 345.491 2.237 20 30 EEEDLO C=CC(C)(C)CC(=O)NC1(CNC(=O)CCn2cc[nH+]c2)CCC1 ZINC001063786565 791729193 /nfs/dbraw/zinc/72/91/93/791729193.db2.gz DYRIVFWPXFFVLU-UHFFFAOYSA-N 1 2 332.448 2.031 20 30 EEEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1nnc3n1CCCC3)C2 ZINC001147640050 791895333 /nfs/dbraw/zinc/89/53/33/791895333.db2.gz NSZQTSYLBPBYSV-UHFFFAOYSA-N 1 2 343.475 2.005 20 30 EEEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1nnc3n1CCCC3)C2 ZINC001147640050 791895340 /nfs/dbraw/zinc/89/53/40/791895340.db2.gz NSZQTSYLBPBYSV-UHFFFAOYSA-N 1 2 343.475 2.005 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C)o1)C2)OCC ZINC001147647269 791897415 /nfs/dbraw/zinc/89/74/15/791897415.db2.gz PKJFUVNIVPXGNQ-MRXNPFEDSA-N 1 2 347.459 2.389 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C)o1)C2)OCC ZINC001147647269 791897421 /nfs/dbraw/zinc/89/74/21/791897421.db2.gz PKJFUVNIVPXGNQ-MRXNPFEDSA-N 1 2 347.459 2.389 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079092254 792033347 /nfs/dbraw/zinc/03/33/47/792033347.db2.gz CLNLOAZYOIYWLF-DOTOQJQBSA-N 1 2 346.475 2.394 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](N(CC)C(=O)c2cc(C(F)(F)F)[nH]n2)CC1 ZINC000998149775 792070435 /nfs/dbraw/zinc/07/04/35/792070435.db2.gz JJALBAZXIFOVCC-LBPRGKRZSA-N 1 2 342.365 2.378 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cc(C(F)(F)F)[nH]n2)CC1 ZINC000998149775 792070445 /nfs/dbraw/zinc/07/04/45/792070445.db2.gz JJALBAZXIFOVCC-LBPRGKRZSA-N 1 2 342.365 2.378 20 30 EEEDLO C#CCCCCCC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nnc(C)[nH]1)C2 ZINC001148059578 792126032 /nfs/dbraw/zinc/12/60/32/792126032.db2.gz DJAXOUFBMVMUKY-OAHLLOKOSA-N 1 2 343.475 2.292 20 30 EEEDLO C#CCCCCCC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nnc(C)[nH]1)C2 ZINC001148059578 792126038 /nfs/dbraw/zinc/12/60/38/792126038.db2.gz DJAXOUFBMVMUKY-OAHLLOKOSA-N 1 2 343.475 2.292 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1c(C)csc1=O ZINC001032606175 792156315 /nfs/dbraw/zinc/15/63/15/792156315.db2.gz OLXZQFSHKMEUJG-MPGHIAIKSA-N 1 2 349.500 2.106 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1c(C)csc1=O ZINC001032606175 792156321 /nfs/dbraw/zinc/15/63/21/792156321.db2.gz OLXZQFSHKMEUJG-MPGHIAIKSA-N 1 2 349.500 2.106 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncnn1C(C)C)C2 ZINC001148087860 792172965 /nfs/dbraw/zinc/17/29/65/792172965.db2.gz GZUABTIAQPXYJA-HOTGVXAUSA-N 1 2 345.491 2.352 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncnn1C(C)C)C2 ZINC001148087860 792172971 /nfs/dbraw/zinc/17/29/71/792172971.db2.gz GZUABTIAQPXYJA-HOTGVXAUSA-N 1 2 345.491 2.352 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(C)n1CC)C2 ZINC001148087887 792173185 /nfs/dbraw/zinc/17/31/85/792173185.db2.gz HNPCUQMDLJZFBO-LSDHHAIUSA-N 1 2 345.491 2.099 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nnc(C)n1CC)C2 ZINC001148087887 792173188 /nfs/dbraw/zinc/17/31/88/792173188.db2.gz HNPCUQMDLJZFBO-LSDHHAIUSA-N 1 2 345.491 2.099 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1nnc(C)s1)C2 ZINC001148125787 792200222 /nfs/dbraw/zinc/20/02/22/792200222.db2.gz QUBYMSKZYGTDCT-CQSZACIVSA-N 1 2 334.489 2.483 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(C)s1)C2 ZINC001148125787 792200224 /nfs/dbraw/zinc/20/02/24/792200224.db2.gz QUBYMSKZYGTDCT-CQSZACIVSA-N 1 2 334.489 2.483 20 30 EEEDLO Cc1nc(N2CC[C@H]3CN(C(=O)C#CC4CC4)CC[C@H]32)c(C)c(C)[nH+]1 ZINC001064013193 792241625 /nfs/dbraw/zinc/24/16/25/792241625.db2.gz LGHPRRRCPMDZEE-ZWKOTPCHSA-N 1 2 338.455 2.242 20 30 EEEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ncc(C(C)(C)C)o2)nc1 ZINC001148376354 792403036 /nfs/dbraw/zinc/40/30/36/792403036.db2.gz HVMMWMWWVSBOCA-ZDUSSCGKSA-N 1 2 340.427 2.429 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCC1(NC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001064110187 792428627 /nfs/dbraw/zinc/42/86/27/792428627.db2.gz SYLMWQHBRODLLI-AWEZNQCLSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CCCCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091917482 793404042 /nfs/dbraw/zinc/40/40/42/793404042.db2.gz IDWCLRXKSZILBT-QAPCUYQASA-N 1 2 332.448 2.295 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)n1 ZINC001064792683 793771238 /nfs/dbraw/zinc/77/12/38/793771238.db2.gz PKRYNNAQVFAROF-HIFRSBDPSA-N 1 2 338.415 2.019 20 30 EEEDLO C#CCCCCC(=O)N[C@H](C)C[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001089267492 793854803 /nfs/dbraw/zinc/85/48/03/793854803.db2.gz IKPVHRXBQFYQGJ-KGLIPLIRSA-N 1 2 346.479 2.135 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(C)c1)c1nccn12 ZINC001092343310 793867731 /nfs/dbraw/zinc/86/77/31/793867731.db2.gz BXPMROHDNFKSLZ-KRWDZBQOSA-N 1 2 334.423 2.101 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1C=CCCC1)c1nccn12 ZINC001092379234 793873400 /nfs/dbraw/zinc/87/34/00/793873400.db2.gz VBQYJVUWZCZORF-IRXDYDNUSA-N 1 2 338.455 2.225 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC13CCCC3)c1nccn12 ZINC001092406740 793882524 /nfs/dbraw/zinc/88/25/24/793882524.db2.gz YJLHPBHJRSDJOK-HUUCEWRRSA-N 1 2 326.444 2.221 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(C)c1C)c1nccn12 ZINC001092409952 793959853 /nfs/dbraw/zinc/95/98/53/793959853.db2.gz FNPFPMPHMQLDCD-GOSISDBHSA-N 1 2 348.450 2.409 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(F)cc(F)c1)c1nccn12 ZINC001092410728 793960782 /nfs/dbraw/zinc/96/07/82/793960782.db2.gz NSRHBGFRVOXHAH-OAHLLOKOSA-N 1 2 344.365 2.233 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nc(C)c(C)s1)c1nccn12 ZINC001092411201 793961899 /nfs/dbraw/zinc/96/18/99/793961899.db2.gz XBKRLYKSGXDMPX-CYBMUJFWSA-N 1 2 343.456 2.028 20 30 EEEDLO C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C/C=C/c2ccccc2)nn1 ZINC001032669876 794033196 /nfs/dbraw/zinc/03/31/96/794033196.db2.gz DWQPVMBXMZUTMA-TYKASLFTSA-N 1 2 349.438 2.076 20 30 EEEDLO C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C/C=C/c2ccccc2)nn1 ZINC001032669876 794033204 /nfs/dbraw/zinc/03/32/04/794033204.db2.gz DWQPVMBXMZUTMA-TYKASLFTSA-N 1 2 349.438 2.076 20 30 EEEDLO C#CCC1(C(=O)N2C[C@@H](CNc3cc[nH+]c(C)n3)[C@H](C)C2)CCC1 ZINC001092663596 794211086 /nfs/dbraw/zinc/21/10/86/794211086.db2.gz AWOAKASSGSAAJD-GDBMZVCRSA-N 1 2 326.444 2.485 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@]1(C)CN(c2cc(C)[nH+]c(CC)n2)CCO1 ZINC001092765769 794318578 /nfs/dbraw/zinc/31/85/78/794318578.db2.gz XOVIDHCLWRXTSA-LJQANCHMSA-N 1 2 346.475 2.271 20 30 EEEDLO CCCC(=O)N1CC[NH+]([C@H]2CCN(c3cccc(F)c3C#N)C2)CC1 ZINC001065185500 794325706 /nfs/dbraw/zinc/32/57/06/794325706.db2.gz XXKMPNVCTXDRNG-HNNXBMFYSA-N 1 2 344.434 2.220 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001092852372 794415421 /nfs/dbraw/zinc/41/54/21/794415421.db2.gz MPUAKNMCTTZGDU-ORQFMDKSSA-N 1 2 344.459 2.219 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)co1 ZINC001079617388 795029823 /nfs/dbraw/zinc/02/98/23/795029823.db2.gz ZPWYRJBESHNSSX-BDJLRTHQSA-N 1 2 342.374 2.244 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)co1 ZINC001079617388 795029826 /nfs/dbraw/zinc/02/98/26/795029826.db2.gz ZPWYRJBESHNSSX-BDJLRTHQSA-N 1 2 342.374 2.244 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C(CC)CC)c1C ZINC001032723750 795255437 /nfs/dbraw/zinc/25/54/37/795255437.db2.gz SLCBPVCDIBKHRW-IRXDYDNUSA-N 1 2 328.460 2.475 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C(CC)CC)c1C ZINC001032723750 795255440 /nfs/dbraw/zinc/25/54/40/795255440.db2.gz SLCBPVCDIBKHRW-IRXDYDNUSA-N 1 2 328.460 2.475 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC(N(CC)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079855147 795284149 /nfs/dbraw/zinc/28/41/49/795284149.db2.gz POKBVQFEBJZUPJ-HUUCEWRRSA-N 1 2 346.475 2.250 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC(N(CC)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079855147 795284150 /nfs/dbraw/zinc/28/41/50/795284150.db2.gz POKBVQFEBJZUPJ-HUUCEWRRSA-N 1 2 346.475 2.250 20 30 EEEDLO C=C(C)CCC(=O)N(CC)C1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001079880204 795314749 /nfs/dbraw/zinc/31/47/49/795314749.db2.gz ZETAAYHCAAQCCM-HNNXBMFYSA-N 1 2 332.448 2.250 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cccc(COC)c3)CC2)C1 ZINC001093550153 795368869 /nfs/dbraw/zinc/36/88/69/795368869.db2.gz IEEIADVNNZUUAB-UHFFFAOYSA-N 1 2 344.455 2.324 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3(C(F)F)CCC3)CC2)C1 ZINC001093563718 795373187 /nfs/dbraw/zinc/37/31/87/795373187.db2.gz AWEDWEBAOKICPJ-UHFFFAOYSA-N 1 2 328.403 2.300 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccc(F)c(OC)c3)CC2)C1 ZINC001093574316 795384687 /nfs/dbraw/zinc/38/46/87/795384687.db2.gz XVAQOVFVKMHCDA-UHFFFAOYSA-N 1 2 348.418 2.326 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cc(C(C)C)no3)CC2)C1 ZINC001093581589 795393351 /nfs/dbraw/zinc/39/33/51/795393351.db2.gz QTERWFCNTKAVPE-UHFFFAOYSA-N 1 2 333.432 2.289 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)c3c(C)n[nH]c3C)CC2)C1 ZINC001093584254 795396279 /nfs/dbraw/zinc/39/62/79/795396279.db2.gz DWSOHLLBPUUMIP-CYBMUJFWSA-N 1 2 346.475 2.008 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccc(C)nc3C)CC2)C1 ZINC001093599281 795439975 /nfs/dbraw/zinc/43/99/75/795439975.db2.gz WCRQKAFOMBZEKK-UHFFFAOYSA-N 1 2 329.444 2.190 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCC[C@H]3OC)CC2)C1 ZINC001093599174 795440179 /nfs/dbraw/zinc/44/01/79/795440179.db2.gz ROTYUECOMYRENV-ZWKOTPCHSA-N 1 2 336.476 2.069 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C/C=C/Cc2ccccc2)C1 ZINC001108005607 795474612 /nfs/dbraw/zinc/47/46/12/795474612.db2.gz WZMBGBSKIZENHA-SHBDEGQCSA-N 1 2 340.467 2.406 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C/C=C/Cc2ccccc2)C1 ZINC001108005607 795474615 /nfs/dbraw/zinc/47/46/15/795474615.db2.gz WZMBGBSKIZENHA-SHBDEGQCSA-N 1 2 340.467 2.406 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106443464 795598370 /nfs/dbraw/zinc/59/83/70/795598370.db2.gz XUHVZJGFGOAWMD-KBPBESRZSA-N 1 2 344.459 2.009 20 30 EEEDLO C#Cc1ccccc1CC(=O)NCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001093776246 795704591 /nfs/dbraw/zinc/70/45/91/795704591.db2.gz YUARJRRIAPPWJZ-UHFFFAOYSA-N 1 2 348.450 2.416 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC(N(CC)C(=O)CCc2[nH+]ccn2C)C1 ZINC001080241722 795748145 /nfs/dbraw/zinc/74/81/45/795748145.db2.gz PWLXAPRVWSPPNH-HNNXBMFYSA-N 1 2 346.475 2.014 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ncc(CC)o3)C[C@H]2C)cc1 ZINC001080244788 795752479 /nfs/dbraw/zinc/75/24/79/795752479.db2.gz MRQNPIPQXVUBPA-RDTXWAMCSA-N 1 2 337.423 2.469 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(CC)o3)C[C@H]2C)cc1 ZINC001080244788 795752482 /nfs/dbraw/zinc/75/24/82/795752482.db2.gz MRQNPIPQXVUBPA-RDTXWAMCSA-N 1 2 337.423 2.469 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(CC)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001080305835 795806944 /nfs/dbraw/zinc/80/69/44/795806944.db2.gz VZVPXHLQFBAXBB-CQSZACIVSA-N 1 2 346.475 2.349 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(CC)C1CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001080288838 795835452 /nfs/dbraw/zinc/83/54/52/795835452.db2.gz CURCYCXVRIZEQH-HZPDHXFCSA-N 1 2 346.475 2.181 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001108029678 795926762 /nfs/dbraw/zinc/92/67/62/795926762.db2.gz YKAUUSFXVCJIFI-TZIWHRDSSA-N 1 2 340.467 2.337 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001108029678 795926763 /nfs/dbraw/zinc/92/67/63/795926763.db2.gz YKAUUSFXVCJIFI-TZIWHRDSSA-N 1 2 340.467 2.337 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001080471227 796045496 /nfs/dbraw/zinc/04/54/96/796045496.db2.gz WEWHQIWGAGVBCO-WNOSKKOXSA-N 1 2 349.862 2.263 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccncc2Cl)C[C@H]1C ZINC001080471227 796045504 /nfs/dbraw/zinc/04/55/04/796045504.db2.gz WEWHQIWGAGVBCO-WNOSKKOXSA-N 1 2 349.862 2.263 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C3CCCCCC3)nn2)C1 ZINC001094277254 796062491 /nfs/dbraw/zinc/06/24/91/796062491.db2.gz AAVMGPVUTFDGJB-UHFFFAOYSA-N 1 2 331.464 2.298 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3[C@H]4CCCCCC[C@H]34)nn2)C1 ZINC001094322604 796129762 /nfs/dbraw/zinc/12/97/62/796129762.db2.gz HHGVSFTXDXRQJP-IRXDYDNUSA-N 1 2 343.475 2.153 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cscn2)C[C@H]1C ZINC001080597069 796204726 /nfs/dbraw/zinc/20/47/26/796204726.db2.gz NOGRKOFJHNJRAB-BVUBDWEXSA-N 1 2 335.473 2.061 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cscn2)C[C@H]1C ZINC001080597069 796204729 /nfs/dbraw/zinc/20/47/29/796204729.db2.gz NOGRKOFJHNJRAB-BVUBDWEXSA-N 1 2 335.473 2.061 20 30 EEEDLO C=CCCOCC(=O)NCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001094476779 796313518 /nfs/dbraw/zinc/31/35/18/796313518.db2.gz CSXCDHMRJHXMDE-UHFFFAOYSA-N 1 2 332.448 2.175 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC001080709680 796340497 /nfs/dbraw/zinc/34/04/97/796340497.db2.gz QAOXCNQIODFGOH-MLGOLLRUSA-N 1 2 342.374 2.244 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC001080709680 796340499 /nfs/dbraw/zinc/34/04/99/796340499.db2.gz QAOXCNQIODFGOH-MLGOLLRUSA-N 1 2 342.374 2.244 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001080714836 796345472 /nfs/dbraw/zinc/34/54/72/796345472.db2.gz STJLLMKNVNSCSF-MLGOLLRUSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001080714836 796345474 /nfs/dbraw/zinc/34/54/74/796345474.db2.gz STJLLMKNVNSCSF-MLGOLLRUSA-N 1 2 345.834 2.070 20 30 EEEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cn1cc2[nH]cccc-2c1=O ZINC000785501427 806503798 /nfs/dbraw/zinc/50/37/98/806503798.db2.gz VFNGVZCYFWWRLZ-UHFFFAOYSA-N 1 2 336.395 2.015 20 30 EEEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cn1cc2[nH]cccc-2c1=O ZINC000785501427 806503807 /nfs/dbraw/zinc/50/38/07/806503807.db2.gz VFNGVZCYFWWRLZ-UHFFFAOYSA-N 1 2 336.395 2.015 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)c2csnn2)C1 ZINC001078440945 796450973 /nfs/dbraw/zinc/45/09/73/796450973.db2.gz KHZVNSQLODJYHY-STQMWFEESA-N 1 2 338.477 2.018 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3ccc4ccccc4c3)CC2=O)C1 ZINC001094811202 796591349 /nfs/dbraw/zinc/59/13/49/796591349.db2.gz KEYACFAMMVBOSQ-GOSISDBHSA-N 1 2 349.434 2.041 20 30 EEEDLO C#CCOc1ncccc1C(=O)NC1C[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001031276141 796631333 /nfs/dbraw/zinc/63/13/33/796631333.db2.gz MQUGKLJYILIZOF-UHFFFAOYSA-N 1 2 349.434 2.325 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3nnc(C)n3c2)[C@H]1C ZINC000993523397 796779897 /nfs/dbraw/zinc/77/98/97/796779897.db2.gz RGWJEWCYRXNJPI-DOMZBBRYSA-N 1 2 347.850 2.373 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3nnc(C)n3c2)[C@H]1C ZINC000993523397 796779904 /nfs/dbraw/zinc/77/99/04/796779904.db2.gz RGWJEWCYRXNJPI-DOMZBBRYSA-N 1 2 347.850 2.373 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C1CC(C)C1 ZINC001081515339 796789907 /nfs/dbraw/zinc/78/99/07/796789907.db2.gz PWCGGDXIGSGLRK-ZUOQLNJOSA-N 1 2 345.418 2.059 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C1CC(C)C1 ZINC001081515339 796789909 /nfs/dbraw/zinc/78/99/09/796789909.db2.gz PWCGGDXIGSGLRK-ZUOQLNJOSA-N 1 2 345.418 2.059 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cnco2)CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000993651307 796874101 /nfs/dbraw/zinc/87/41/01/796874101.db2.gz ZWPZIFQYBIHPNN-YOEHRIQHSA-N 1 2 341.386 2.448 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cnco2)CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000993651307 796874107 /nfs/dbraw/zinc/87/41/07/796874107.db2.gz ZWPZIFQYBIHPNN-YOEHRIQHSA-N 1 2 341.386 2.448 20 30 EEEDLO C=CCOC(=O)CC[C@H]([NH2+][C@@H]1CCC[C@H](OC)C1)C(=O)OCC=C ZINC001172923318 797153976 /nfs/dbraw/zinc/15/39/76/797153976.db2.gz MTWRDKDZUQQDQH-PMPSAXMXSA-N 1 2 339.432 2.141 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001082164536 797277396 /nfs/dbraw/zinc/27/73/96/797277396.db2.gz OWNGUSDHQOPHFA-HNNXBMFYSA-N 1 2 340.427 2.411 20 30 EEEDLO CC#CCCCC(=O)N1CCCC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001082229594 797359810 /nfs/dbraw/zinc/35/98/10/797359810.db2.gz SAKXORPHZXIDFY-INIZCTEOSA-N 1 2 344.459 2.033 20 30 EEEDLO CCN(CCNc1ccc(C#N)nc1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001106850785 797403535 /nfs/dbraw/zinc/40/35/35/797403535.db2.gz PSQYQPQOAIAVGZ-UHFFFAOYSA-N 1 2 348.410 2.484 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCO2)C3)c(F)c1 ZINC001095148733 797428890 /nfs/dbraw/zinc/42/88/90/797428890.db2.gz HNZRMISJMMFCLC-LAVFITLUSA-N 1 2 343.402 2.098 20 30 EEEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCO2)C3)c(F)c1 ZINC001095148733 797428896 /nfs/dbraw/zinc/42/88/96/797428896.db2.gz HNZRMISJMMFCLC-LAVFITLUSA-N 1 2 343.402 2.098 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H](N(C)c2[nH+]cnc3c2cnn3C)C1 ZINC001095151142 797431693 /nfs/dbraw/zinc/43/16/93/797431693.db2.gz SIZWOMSNMKQZTH-UONOGXRCSA-N 1 2 342.447 2.003 20 30 EEEDLO S=C(NN=C1CCN(c2cccc[nH+]2)CC1)Nc1cccnc1 ZINC000915943654 797453919 /nfs/dbraw/zinc/45/39/19/797453919.db2.gz HROZDEZJZGBQMM-UHFFFAOYSA-N 1 2 326.429 2.419 20 30 EEEDLO COc1ccccc1[C@H](CNC(=O)[C@H](C)C#N)Nc1cc[nH+]c(C)n1 ZINC001095208987 797518376 /nfs/dbraw/zinc/51/83/76/797518376.db2.gz ALVAJKCCBACXKU-DOMZBBRYSA-N 1 2 339.399 2.223 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)c3nc(COC)no3)C2)C1 ZINC001082729387 797669513 /nfs/dbraw/zinc/66/95/13/797669513.db2.gz WSDUPBNMLKBZFV-MGPQQGTHSA-N 1 2 348.447 2.070 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCCCO2)C1 ZINC001150393908 797847626 /nfs/dbraw/zinc/84/76/26/797847626.db2.gz FOQREQCEOBMNNF-JKSUJKDBSA-N 1 2 344.883 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCCCO2)C1 ZINC001150393908 797847630 /nfs/dbraw/zinc/84/76/30/797847630.db2.gz FOQREQCEOBMNNF-JKSUJKDBSA-N 1 2 344.883 2.295 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(Cl)cc3F)[C@H]2C1 ZINC001083136442 797887610 /nfs/dbraw/zinc/88/76/10/797887610.db2.gz XUAMZPZPHMVQPL-JKSUJKDBSA-N 1 2 336.794 2.028 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(Cl)cc3F)[C@H]2C1 ZINC001083136442 797887615 /nfs/dbraw/zinc/88/76/15/797887615.db2.gz XUAMZPZPHMVQPL-JKSUJKDBSA-N 1 2 336.794 2.028 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4cc(C)ccc4[nH]3)[C@H]2C1 ZINC001083160077 797908345 /nfs/dbraw/zinc/90/83/45/797908345.db2.gz HWKPVXZOLSRCAU-RBUKOAKNSA-N 1 2 337.423 2.025 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4cc(C)ccc4[nH]3)[C@H]2C1 ZINC001083160077 797908349 /nfs/dbraw/zinc/90/83/49/797908349.db2.gz HWKPVXZOLSRCAU-RBUKOAKNSA-N 1 2 337.423 2.025 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cncs4)[C@@H]3C2)s1 ZINC001084213534 798035404 /nfs/dbraw/zinc/03/54/04/798035404.db2.gz MXCSCQKVLPNBEJ-BXUZGUMPSA-N 1 2 344.465 2.423 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cncs4)[C@@H]3C2)s1 ZINC001084213534 798035410 /nfs/dbraw/zinc/03/54/10/798035410.db2.gz MXCSCQKVLPNBEJ-BXUZGUMPSA-N 1 2 344.465 2.423 20 30 EEEDLO CS[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084204969 798058935 /nfs/dbraw/zinc/05/89/35/798058935.db2.gz JQRHDJNCUNHNCW-IAOVAPTHSA-N 1 2 329.469 2.342 20 30 EEEDLO CS[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084204969 798058943 /nfs/dbraw/zinc/05/89/43/798058943.db2.gz JQRHDJNCUNHNCW-IAOVAPTHSA-N 1 2 329.469 2.342 20 30 EEEDLO Cn1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)c1 ZINC001084277991 798125324 /nfs/dbraw/zinc/12/53/24/798125324.db2.gz GAMFXUNMQWPGLX-IEBWSBKVSA-N 1 2 334.423 2.243 20 30 EEEDLO Cn1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)c1 ZINC001084277991 798125326 /nfs/dbraw/zinc/12/53/26/798125326.db2.gz GAMFXUNMQWPGLX-IEBWSBKVSA-N 1 2 334.423 2.243 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001061096021 798158498 /nfs/dbraw/zinc/15/84/98/798158498.db2.gz PXUAIEJKAYEAAI-OAHLLOKOSA-N 1 2 344.459 2.006 20 30 EEEDLO Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)s1 ZINC001002550632 798244849 /nfs/dbraw/zinc/24/48/49/798244849.db2.gz GPBMNTWDAUQKQM-JTQLQIEISA-N 1 2 344.444 2.002 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH]ncc43)[C@@H]2C1 ZINC001084565888 798277875 /nfs/dbraw/zinc/27/78/75/798277875.db2.gz YYWYACNDAYFDOK-MLGOLLRUSA-N 1 2 330.819 2.462 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4[nH]ncc43)[C@@H]2C1 ZINC001084565888 798277880 /nfs/dbraw/zinc/27/78/80/798277880.db2.gz YYWYACNDAYFDOK-MLGOLLRUSA-N 1 2 330.819 2.462 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](OC)C3CCCC3)[C@@H]2C1 ZINC001084801283 798466183 /nfs/dbraw/zinc/46/61/83/798466183.db2.gz SCNDHRCAEOWDGU-OAGGEKHMSA-N 1 2 326.868 2.477 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](OC)C3CCCC3)[C@@H]2C1 ZINC001084801283 798466186 /nfs/dbraw/zinc/46/61/86/798466186.db2.gz SCNDHRCAEOWDGU-OAGGEKHMSA-N 1 2 326.868 2.477 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]nc4ccccc43)[C@@H]2C1 ZINC001084849910 798504137 /nfs/dbraw/zinc/50/41/37/798504137.db2.gz ZIQAVNGKQZBNEH-CXAGYDPISA-N 1 2 344.846 2.391 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]nc4ccccc43)[C@@H]2C1 ZINC001084849910 798504140 /nfs/dbraw/zinc/50/41/40/798504140.db2.gz ZIQAVNGKQZBNEH-CXAGYDPISA-N 1 2 344.846 2.391 20 30 EEEDLO CC(C)c1cnc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H](C)C#N)C[C@@H]32)o1 ZINC001084906828 798545861 /nfs/dbraw/zinc/54/58/61/798545861.db2.gz IUYDOEWNPLKYGI-ZNMIVQPWSA-N 1 2 330.432 2.380 20 30 EEEDLO CC(C)c1cnc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@@H](C)C#N)C[C@@H]32)o1 ZINC001084906828 798545865 /nfs/dbraw/zinc/54/58/65/798545865.db2.gz IUYDOEWNPLKYGI-ZNMIVQPWSA-N 1 2 330.432 2.380 20 30 EEEDLO CCCc1nc(C[NH2+]CCCNC(=O)CC#Cc2ccccc2)no1 ZINC001176763174 798573736 /nfs/dbraw/zinc/57/37/36/798573736.db2.gz 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ZINC001113102520 808122446 /nfs/dbraw/zinc/12/24/46/808122446.db2.gz OMCTVORVZNPTHX-AWEZNQCLSA-N 1 2 338.398 2.415 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](CCOCCCC)CC1 ZINC001113159070 808297918 /nfs/dbraw/zinc/29/79/18/808297918.db2.gz WNOPDHAYBSICEV-GOSISDBHSA-N 1 2 326.481 2.176 20 30 EEEDLO C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@@H](C)Nc1ncccc1C#N ZINC001113220166 808467713 /nfs/dbraw/zinc/46/77/13/808467713.db2.gz MMRXDADWJLCTHP-CHWSQXEVSA-N 1 2 334.383 2.220 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ncccc2O)C1 ZINC001086585186 808614306 /nfs/dbraw/zinc/61/43/06/808614306.db2.gz JOEUHHVGKACGIF-DLBZAZTESA-N 1 2 335.407 2.008 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ncccc2O)C1 ZINC001086585186 808614314 /nfs/dbraw/zinc/61/43/14/808614314.db2.gz JOEUHHVGKACGIF-DLBZAZTESA-N 1 2 335.407 2.008 20 30 EEEDLO C#CCOc1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2cc[nH+]c(C)n2)cc1 ZINC001113318791 808720496 /nfs/dbraw/zinc/72/04/96/808720496.db2.gz CLACMLSRJFAXPG-ZIAGYGMSSA-N 1 2 338.411 2.416 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@@H](C)[C@@H](C)Nc2ccncc2C#N)c(C)[nH+]1 ZINC001113381544 808864959 /nfs/dbraw/zinc/86/49/59/808864959.db2.gz AYENXRYEIVIYSU-KGLIPLIRSA-N 1 2 337.427 2.314 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(C#N)nn2)c(C)[nH+]1 ZINC001113381587 808865335 /nfs/dbraw/zinc/86/53/35/808865335.db2.gz BZIRBKFLNNZDKA-STQMWFEESA-N 1 2 338.415 2.287 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCOC[C@H]2CCCCO2)CC1 ZINC001113390596 808875386 /nfs/dbraw/zinc/87/53/86/808875386.db2.gz KBHQCAUVOMGENO-QGZVFWFLSA-N 1 2 338.492 2.319 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccncc2C(F)(F)F)CC1 ZINC001113491109 809090098 /nfs/dbraw/zinc/09/00/98/809090098.db2.gz ZGROJNSUGGQPAN-UHFFFAOYSA-N 1 2 343.349 2.061 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(F)ccc2C)[C@H](O)C1 ZINC001090454519 809288856 /nfs/dbraw/zinc/28/88/56/809288856.db2.gz ALWCXQPFBMZFSM-LSDHHAIUSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2C)[C@H](O)C1 ZINC001090454519 809288860 /nfs/dbraw/zinc/28/88/60/809288860.db2.gz ALWCXQPFBMZFSM-LSDHHAIUSA-N 1 2 326.799 2.052 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 ZINC001113606392 809322812 /nfs/dbraw/zinc/32/28/12/809322812.db2.gz JUMDNHPAGCTMCF-UHFFFAOYSA-N 1 2 338.835 2.309 20 30 EEEDLO N#Cc1c(=O)n(C[NH+]2CCC([C@@H]3CCOC3)CC2)cc2c1CCCC2 ZINC000793512038 810375596 /nfs/dbraw/zinc/37/55/96/810375596.db2.gz PAXUFEWQPJBRNA-QGZVFWFLSA-N 1 2 341.455 2.305 20 30 EEEDLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793588337 810421134 /nfs/dbraw/zinc/42/11/34/810421134.db2.gz BACSAHZYGRKZJH-YJBOKZPZSA-N 1 2 328.416 2.012 20 30 EEEDLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793588337 810421139 /nfs/dbraw/zinc/42/11/39/810421139.db2.gz BACSAHZYGRKZJH-YJBOKZPZSA-N 1 2 328.416 2.012 20 30 EEEDLO CC(C)C[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793608117 810431273 /nfs/dbraw/zinc/43/12/73/810431273.db2.gz UWJZDVGXBIUHKG-IAGOWNOFSA-N 1 2 342.443 2.258 20 30 EEEDLO CC(C)C[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793608117 810431277 /nfs/dbraw/zinc/43/12/77/810431277.db2.gz UWJZDVGXBIUHKG-IAGOWNOFSA-N 1 2 342.443 2.258 20 30 EEEDLO CCc1n[nH]c(C(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)c1Cl ZINC001129709623 810980261 /nfs/dbraw/zinc/98/02/61/810980261.db2.gz LBHLUHSMOLYTQX-UHFFFAOYSA-N 1 2 349.797 2.156 20 30 EEEDLO C=CCC[C@H](C)[N@H+]1Cc2cnn(C3CCN(C(=O)COC)CC3)c2C1 ZINC001130161421 811233382 /nfs/dbraw/zinc/23/33/82/811233382.db2.gz VIBKQLZLDNRRGX-HNNXBMFYSA-N 1 2 346.475 2.363 20 30 EEEDLO C=CCC[C@H](C)[N@@H+]1Cc2cnn(C3CCN(C(=O)COC)CC3)c2C1 ZINC001130161421 811233386 /nfs/dbraw/zinc/23/33/86/811233386.db2.gz VIBKQLZLDNRRGX-HNNXBMFYSA-N 1 2 346.475 2.363 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)O[C@@]2(CC[N@H+](Cc3ncc(C)o3)C2)C1 ZINC001131646024 813071456 /nfs/dbraw/zinc/07/14/56/813071456.db2.gz OPHIZVUUTXKQDR-MAUKXSAKSA-N 1 2 333.432 2.141 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)O[C@@]2(CC[N@@H+](Cc3ncc(C)o3)C2)C1 ZINC001131646024 813071468 /nfs/dbraw/zinc/07/14/68/813071468.db2.gz OPHIZVUUTXKQDR-MAUKXSAKSA-N 1 2 333.432 2.141 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CCc1ccc(=O)[nH]c1 ZINC001437035901 1088879135 /nfs/dbraw/zinc/87/91/35/1088879135.db2.gz IYFMNVVGIPPSHR-HNNXBMFYSA-N 1 2 337.851 2.443 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CCc1ccc(=O)[nH]c1 ZINC001437035901 1088879161 /nfs/dbraw/zinc/87/91/61/1088879161.db2.gz IYFMNVVGIPPSHR-HNNXBMFYSA-N 1 2 337.851 2.443 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C2(COC)CC2)C1 ZINC001437351179 1089562442 /nfs/dbraw/zinc/56/24/42/1089562442.db2.gz RSQSNVOWCFNRNS-ZDUSSCGKSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C2(COC)CC2)C1 ZINC001437351179 1089562449 /nfs/dbraw/zinc/56/24/49/1089562449.db2.gz RSQSNVOWCFNRNS-ZDUSSCGKSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1c(CC)nn(C)c1CC ZINC001439330741 1092016751 /nfs/dbraw/zinc/01/67/51/1092016751.db2.gz DVNVYUSODKZERH-CYBMUJFWSA-N 1 2 340.899 2.276 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1c(CC)nn(C)c1CC ZINC001439330741 1092016768 /nfs/dbraw/zinc/01/67/68/1092016768.db2.gz DVNVYUSODKZERH-CYBMUJFWSA-N 1 2 340.899 2.276 20 30 EEEDLO CC(C)c1noc([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)c2cc(C#N)c[nH]2)n1 ZINC001448634245 1093695704 /nfs/dbraw/zinc/69/57/04/1093695704.db2.gz LTZDRHVZZSHOFM-RYUDHWBXSA-N 1 2 344.419 2.204 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc2c(c1)N(C)CCO2 ZINC001440939797 1094191365 /nfs/dbraw/zinc/19/13/65/1094191365.db2.gz XQJFZZGHMCMDBA-ZDUSSCGKSA-N 1 2 337.851 2.318 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc2c(c1)N(C)CCO2 ZINC001440939797 1094191368 /nfs/dbraw/zinc/19/13/68/1094191368.db2.gz XQJFZZGHMCMDBA-ZDUSSCGKSA-N 1 2 337.851 2.318 20 30 EEEDLO COCC[N@H+](CCNC(=O)C1(C)CCC1)Cc1ccc(C#N)cc1F ZINC001442191908 1096464378 /nfs/dbraw/zinc/46/43/78/1096464378.db2.gz PORNMZMZXQXDMK-UHFFFAOYSA-N 1 2 347.434 2.452 20 30 EEEDLO COCC[N@@H+](CCNC(=O)C1(C)CCC1)Cc1ccc(C#N)cc1F ZINC001442191908 1096464381 /nfs/dbraw/zinc/46/43/81/1096464381.db2.gz PORNMZMZXQXDMK-UHFFFAOYSA-N 1 2 347.434 2.452 20 30 EEEDLO C[C@@H](CC(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F)n1cccn1 ZINC001442563324 1096927290 /nfs/dbraw/zinc/92/72/90/1096927290.db2.gz DAPHLJRXKDFFLV-AWEZNQCLSA-N 1 2 343.406 2.093 20 30 EEEDLO C[C@@H](CC(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F)n1cccn1 ZINC001442563324 1096927298 /nfs/dbraw/zinc/92/72/98/1096927298.db2.gz DAPHLJRXKDFFLV-AWEZNQCLSA-N 1 2 343.406 2.093 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)Cc1ccc(OC)cn1 ZINC001480324032 1100070101 /nfs/dbraw/zinc/07/01/01/1100070101.db2.gz MIAGEMOTFZHNTC-HNNXBMFYSA-N 1 2 337.851 2.356 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccc(OC)cn1 ZINC001480324032 1100070106 /nfs/dbraw/zinc/07/01/06/1100070106.db2.gz MIAGEMOTFZHNTC-HNNXBMFYSA-N 1 2 337.851 2.356 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1sc(N(C)C)nc1C ZINC001496799045 1101488286 /nfs/dbraw/zinc/48/82/86/1101488286.db2.gz KMZIJIUNPBBXFF-UHFFFAOYSA-N 1 2 330.885 2.274 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1sc(N(C)C)nc1C ZINC001496799045 1101488291 /nfs/dbraw/zinc/48/82/91/1101488291.db2.gz KMZIJIUNPBBXFF-UHFFFAOYSA-N 1 2 330.885 2.274 20 30 EEEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)C1CCSCC1 ZINC000328920327 539763883 /nfs/dbraw/zinc/76/38/83/539763883.db2.gz LTIZVYMOVACDBV-UHFFFAOYSA-N 1 2 339.505 2.030 20 30 EEEDLO C[C@H](CNC(=O)NC[C@@H]1SCCc2ccccc21)[NH+]1CCOCC1 ZINC000330180035 539789023 /nfs/dbraw/zinc/78/90/23/539789023.db2.gz FRLXUWVCBUGRHL-PBHICJAKSA-N 1 2 349.500 2.241 20 30 EEEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@H]2CCC(C)(C)C2)C1 ZINC000330104944 539788153 /nfs/dbraw/zinc/78/81/53/539788153.db2.gz JHFKHQZTLMDAGF-LSDHHAIUSA-N 1 2 331.464 2.475 20 30 EEEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@H]2CCC(C)(C)C2)C1 ZINC000330104944 539788158 /nfs/dbraw/zinc/78/81/58/539788158.db2.gz JHFKHQZTLMDAGF-LSDHHAIUSA-N 1 2 331.464 2.475 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC(C)(C)C#N)c1ccccc1F ZINC000349723526 238193481 /nfs/dbraw/zinc/19/34/81/238193481.db2.gz OXYGDSXRKKIUGD-CQSZACIVSA-N 1 2 329.379 2.498 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000267640446 291275960 /nfs/dbraw/zinc/27/59/60/291275960.db2.gz VRGZXBDVHLUEEM-HZPDHXFCSA-N 1 2 342.395 2.047 20 30 EEEDLO CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2Br)C[C@H]1OC ZINC000488002159 245648805 /nfs/dbraw/zinc/64/88/05/245648805.db2.gz XDRYGYJXUMUCFY-ZIAGYGMSSA-N 1 2 325.206 2.166 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(-c3cc[nH]n3)o2)n1 ZINC000491663343 246101508 /nfs/dbraw/zinc/10/15/08/246101508.db2.gz PMGSVMJOZITDKP-UHFFFAOYSA-N 1 2 339.399 2.148 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(-c3cc[nH]n3)o2)n1 ZINC000491663343 246101515 /nfs/dbraw/zinc/10/15/15/246101515.db2.gz PMGSVMJOZITDKP-UHFFFAOYSA-N 1 2 339.399 2.148 20 30 EEEDLO C[C@@H](C(=O)N[C@@]1(C#N)CC1(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000292630596 533302766 /nfs/dbraw/zinc/30/27/66/533302766.db2.gz YTTSSXAXMRCYNC-IFXJQAMLSA-N 1 2 344.434 2.145 20 30 EEEDLO Cc1cccc(N2CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 ZINC000115533188 152027770 /nfs/dbraw/zinc/02/77/70/152027770.db2.gz WJYRCUCKWSSFLU-IBGZPJMESA-N 1 2 334.423 2.215 20 30 EEEDLO C[C@@H]([NH2+][C@H](C)c1nnc2ccccn21)C(=O)Nc1ccccc1C#N ZINC000172613078 152101795 /nfs/dbraw/zinc/10/17/95/152101795.db2.gz GDIYUQBOTOSLMH-CHWSQXEVSA-N 1 2 334.383 2.279 20 30 EEEDLO N#Cc1cccc(CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000374253977 154020783 /nfs/dbraw/zinc/02/07/83/154020783.db2.gz BWHKELMPELMWPX-GOSISDBHSA-N 1 2 336.395 2.359 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000377346100 154153447 /nfs/dbraw/zinc/15/34/47/154153447.db2.gz OIMLWGGACPKVHA-HZPDHXFCSA-N 1 2 344.411 2.016 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000377346100 154153451 /nfs/dbraw/zinc/15/34/51/154153451.db2.gz OIMLWGGACPKVHA-HZPDHXFCSA-N 1 2 344.411 2.016 20 30 EEEDLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1C ZINC000249056475 160372037 /nfs/dbraw/zinc/37/20/37/160372037.db2.gz IYHFKYLEVJMXFP-GZBFAFLISA-N 1 2 329.400 2.016 20 30 EEEDLO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1C ZINC000249056475 160372038 /nfs/dbraw/zinc/37/20/38/160372038.db2.gz IYHFKYLEVJMXFP-GZBFAFLISA-N 1 2 329.400 2.016 20 30 EEEDLO N#Cc1cnc(NCc2cn3cc(Br)ccc3[nH+]2)cn1 ZINC000355349667 163155533 /nfs/dbraw/zinc/15/55/33/163155533.db2.gz IWDUXJFIJCDSKM-UHFFFAOYSA-N 1 2 329.161 2.371 20 30 EEEDLO N#Cc1ccsc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000123849083 222341601 /nfs/dbraw/zinc/34/16/01/222341601.db2.gz AJPIWAVAGMDKKT-OAHLLOKOSA-N 1 2 327.409 2.459 20 30 EEEDLO N#Cc1ccsc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000123849083 222341603 /nfs/dbraw/zinc/34/16/03/222341603.db2.gz AJPIWAVAGMDKKT-OAHLLOKOSA-N 1 2 327.409 2.459 20 30 EEEDLO CCC[N@H+](Cc1nnnn1C1CCOCC1)Cc1ccc(C#N)cc1 ZINC000432962280 267017662 /nfs/dbraw/zinc/01/76/62/267017662.db2.gz VVJVZMQUVMZNNJ-UHFFFAOYSA-N 1 2 340.431 2.308 20 30 EEEDLO CCC[N@@H+](Cc1nnnn1C1CCOCC1)Cc1ccc(C#N)cc1 ZINC000432962280 267017664 /nfs/dbraw/zinc/01/76/64/267017664.db2.gz VVJVZMQUVMZNNJ-UHFFFAOYSA-N 1 2 340.431 2.308 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000180712556 267066676 /nfs/dbraw/zinc/06/66/76/267066676.db2.gz KOCWSVAIVXDZRZ-GFCCVEGCSA-N 1 2 343.818 2.418 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(Cl)c1O ZINC000180712556 267066678 /nfs/dbraw/zinc/06/66/78/267066678.db2.gz KOCWSVAIVXDZRZ-GFCCVEGCSA-N 1 2 343.818 2.418 20 30 EEEDLO Cc1cc(N2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)c(C#N)c[nH+]1 ZINC000333468490 267342418 /nfs/dbraw/zinc/34/24/18/267342418.db2.gz NFFFTPVCXKHJIH-QGZVFWFLSA-N 1 2 337.427 2.396 20 30 EEEDLO Cc1ccc(CC(=O)N2CCN(c3cc(C)[nH+]cc3C#N)CC2)cc1 ZINC000425222282 268034153 /nfs/dbraw/zinc/03/41/53/268034153.db2.gz IFOACDMDGAKHTJ-UHFFFAOYSA-N 1 2 334.423 2.461 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000275020812 269084959 /nfs/dbraw/zinc/08/49/59/269084959.db2.gz UGRYRPLIQLNPRB-INIZCTEOSA-N 1 2 331.416 2.284 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000275020812 269084961 /nfs/dbraw/zinc/08/49/61/269084961.db2.gz UGRYRPLIQLNPRB-INIZCTEOSA-N 1 2 331.416 2.284 20 30 EEEDLO N#Cc1ccc(CN2CC[C@@H](Nc3cc[nH+]c(C4CC4)n3)C2=O)cc1 ZINC000277486893 274297598 /nfs/dbraw/zinc/29/75/98/274297598.db2.gz SXKAGCKAUXCNEQ-MRXNPFEDSA-N 1 2 333.395 2.439 20 30 EEEDLO N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000378616886 303182443 /nfs/dbraw/zinc/18/24/43/303182443.db2.gz DCPKZPFGENZFEF-LBPRGKRZSA-N 1 2 338.339 2.085 20 30 EEEDLO N#Cc1ccc(F)c(CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000158363970 311327512 /nfs/dbraw/zinc/32/75/12/311327512.db2.gz XBQPJTJEBWKMKA-INIZCTEOSA-N 1 2 340.358 2.455 20 30 EEEDLO COCC[N@H+](Cc1ccc(C)o1)Cc1cnc2c(C#N)cnn2c1 ZINC000563888058 319052965 /nfs/dbraw/zinc/05/29/65/319052965.db2.gz YFIAFTXUZSQTHB-UHFFFAOYSA-N 1 2 325.372 2.151 20 30 EEEDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cnc2c(C#N)cnn2c1 ZINC000563888058 319052968 /nfs/dbraw/zinc/05/29/68/319052968.db2.gz YFIAFTXUZSQTHB-UHFFFAOYSA-N 1 2 325.372 2.151 20 30 EEEDLO N#Cc1cc(Br)ccc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000577033522 320225113 /nfs/dbraw/zinc/22/51/13/320225113.db2.gz BNDMICIDDUJHAR-LBPRGKRZSA-N 1 2 345.200 2.262 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2cnoc2)[C@H]1CC ZINC001087697311 782086450 /nfs/dbraw/zinc/08/64/50/782086450.db2.gz QUDGQUXDRUMXGZ-QWHCGFSZSA-N 1 2 342.237 2.095 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2cnoc2)[C@H]1CC ZINC001087697311 782086454 /nfs/dbraw/zinc/08/64/54/782086454.db2.gz QUDGQUXDRUMXGZ-QWHCGFSZSA-N 1 2 342.237 2.095 20 30 EEEDLO C=CCOc1cccnc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000341422586 465157945 /nfs/dbraw/zinc/15/79/45/465157945.db2.gz YTLKEQWRKNVDOB-UHFFFAOYSA-N 1 2 326.400 2.152 20 30 EEEDLO CC[C@@H](C(=O)N(C)Cc1cccc(C#N)c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339245159 465162306 /nfs/dbraw/zinc/16/23/06/465162306.db2.gz GYKBRPQKCPRLFR-ROUUACIJSA-N 1 2 329.444 2.406 20 30 EEEDLO CC[C@@H](C(=O)N(C)Cc1cccc(C#N)c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339245159 465162312 /nfs/dbraw/zinc/16/23/12/465162312.db2.gz GYKBRPQKCPRLFR-ROUUACIJSA-N 1 2 329.444 2.406 20 30 EEEDLO C[C@@H]1C[C@H](C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCC1=O ZINC000328904709 465163355 /nfs/dbraw/zinc/16/33/55/465163355.db2.gz AICNWGDZQGQIJN-UKRRQHHQSA-N 1 2 331.416 2.380 20 30 EEEDLO C=CC[N@@H+](Cc1nnc(CC)[nH]1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000354833192 465180776 /nfs/dbraw/zinc/18/07/76/465180776.db2.gz IQGFNJPHXICREY-ZDUSSCGKSA-N 1 2 338.419 2.092 20 30 EEEDLO C=CC[N@H+](Cc1nnc(CC)[nH]1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000354833192 465180782 /nfs/dbraw/zinc/18/07/82/465180782.db2.gz IQGFNJPHXICREY-ZDUSSCGKSA-N 1 2 338.419 2.092 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@H]2COCCN2C)C[C@H](C)O1 ZINC000329059909 465219437 /nfs/dbraw/zinc/21/94/37/465219437.db2.gz ULYJPZUHSPELTO-RVKKMQEKSA-N 1 2 347.459 2.214 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@H]2COCCN2C)C[C@H](C)O1 ZINC000329059909 465219442 /nfs/dbraw/zinc/21/94/42/465219442.db2.gz ULYJPZUHSPELTO-RVKKMQEKSA-N 1 2 347.459 2.214 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C(C)C)C1=O ZINC000337156391 465219878 /nfs/dbraw/zinc/21/98/78/465219878.db2.gz OUVBXJOSVFHIKG-INIZCTEOSA-N 1 2 340.427 2.333 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](Cc2nc3ccccc3c(=O)[nH]2)C(C)C)C1=O ZINC000337156391 465219880 /nfs/dbraw/zinc/21/98/80/465219880.db2.gz OUVBXJOSVFHIKG-INIZCTEOSA-N 1 2 340.427 2.333 20 30 EEEDLO C=CC[C@H](CO)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000341685833 465253605 /nfs/dbraw/zinc/25/36/05/465253605.db2.gz SUZRLUDNPXXLIR-XJKSGUPXSA-N 1 2 346.406 2.132 20 30 EEEDLO CC(C)NC(=O)OC1C[NH+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000297499842 465259858 /nfs/dbraw/zinc/25/98/58/465259858.db2.gz VZDMSFKCLLDISS-UHFFFAOYSA-N 1 2 330.432 2.355 20 30 EEEDLO C=CCCCCCN(C)C(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000297604373 465263502 /nfs/dbraw/zinc/26/35/02/465263502.db2.gz BQQCCZRKGWMHEQ-IRXDYDNUSA-N 1 2 346.475 2.497 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000341993622 465282122 /nfs/dbraw/zinc/28/21/22/465282122.db2.gz RJPXBDYQBNZNEM-CQSZACIVSA-N 1 2 336.457 2.403 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cn[nH]c1 ZINC000085825960 462561837 /nfs/dbraw/zinc/56/18/37/462561837.db2.gz NLRAYAYDLTWMCU-CYBMUJFWSA-N 1 2 329.379 2.316 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1cn[nH]c1 ZINC000085825960 462561841 /nfs/dbraw/zinc/56/18/41/462561841.db2.gz NLRAYAYDLTWMCU-CYBMUJFWSA-N 1 2 329.379 2.316 20 30 EEEDLO C[C@H](C(=O)N1CCCC1)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000088596124 462637728 /nfs/dbraw/zinc/63/77/28/462637728.db2.gz LROKAYHCYWKZLX-IAGOWNOFSA-N 1 2 340.471 2.248 20 30 EEEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000088596124 462637733 /nfs/dbraw/zinc/63/77/33/462637733.db2.gz LROKAYHCYWKZLX-IAGOWNOFSA-N 1 2 340.471 2.248 20 30 EEEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)s1 ZINC000153414265 462647054 /nfs/dbraw/zinc/64/70/54/462647054.db2.gz XSMOMYPEWQUYEB-UHFFFAOYSA-N 1 2 328.441 2.468 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H](O)C2)c1C#N ZINC000114470824 462652987 /nfs/dbraw/zinc/65/29/87/462652987.db2.gz KDYHYTQQPKQDRV-HNNXBMFYSA-N 1 2 330.432 2.097 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@H](O)C2)c1C#N ZINC000114470824 462652989 /nfs/dbraw/zinc/65/29/89/462652989.db2.gz KDYHYTQQPKQDRV-HNNXBMFYSA-N 1 2 330.432 2.097 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CCCCO2)CC1 ZINC000491167614 468313371 /nfs/dbraw/zinc/31/33/71/468313371.db2.gz YYGUGHLSNJBGRH-IRXDYDNUSA-N 1 2 345.491 2.116 20 30 EEEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2ncccc2F)CC1 ZINC000090633478 462806712 /nfs/dbraw/zinc/80/67/12/462806712.db2.gz MXPUPNMMDWVSTP-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C=CCCOCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000155437457 462892436 /nfs/dbraw/zinc/89/24/36/462892436.db2.gz JPZMJIIIOKHTBC-KRWDZBQOSA-N 1 2 334.485 2.485 20 30 EEEDLO CC(C)CCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000119617638 462917239 /nfs/dbraw/zinc/91/72/39/462917239.db2.gz AIQCOHQDDMTKPM-MJGOQNOKSA-N 1 2 342.487 2.420 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000156838705 463073701 /nfs/dbraw/zinc/07/37/01/463073701.db2.gz UQMSMSVSSCOXBG-HNNXBMFYSA-N 1 2 335.386 2.050 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000156838705 463073704 /nfs/dbraw/zinc/07/37/04/463073704.db2.gz UQMSMSVSSCOXBG-HNNXBMFYSA-N 1 2 335.386 2.050 20 30 EEEDLO Cc1cccn2cc(CCNC(=O)C#Cc3ccc4c(c3)OCO4)[nH+]c12 ZINC000095417013 463081080 /nfs/dbraw/zinc/08/10/80/463081080.db2.gz JLPOJXYYACCLMF-UHFFFAOYSA-N 1 2 347.374 2.082 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000135021100 463108161 /nfs/dbraw/zinc/10/81/61/463108161.db2.gz PDMKQKJREBFGKX-IBGZPJMESA-N 1 2 344.459 2.002 20 30 EEEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068245027 463110855 /nfs/dbraw/zinc/11/08/55/463110855.db2.gz MAZPZYBUAFBBNU-OAHLLOKOSA-N 1 2 335.407 2.458 20 30 EEEDLO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026327631 463159285 /nfs/dbraw/zinc/15/92/85/463159285.db2.gz PEHXFPPVLHMPEF-AWEZNQCLSA-N 1 2 348.406 2.364 20 30 EEEDLO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026327631 463159288 /nfs/dbraw/zinc/15/92/88/463159288.db2.gz PEHXFPPVLHMPEF-AWEZNQCLSA-N 1 2 348.406 2.364 20 30 EEEDLO COc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1OCCCC#N ZINC000157866959 463180200 /nfs/dbraw/zinc/18/02/00/463180200.db2.gz IUUFGIQSPRKZSH-UHFFFAOYSA-N 1 2 331.416 2.042 20 30 EEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1I ZINC000491287393 468342313 /nfs/dbraw/zinc/34/23/13/468342313.db2.gz MBHRHTOKDXFUIH-JTQLQIEISA-N 1 2 342.180 2.183 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1I ZINC000491287393 468342318 /nfs/dbraw/zinc/34/23/18/468342318.db2.gz MBHRHTOKDXFUIH-JTQLQIEISA-N 1 2 342.180 2.183 20 30 EEEDLO C[C@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)C(=O)N(C)C1CCCCC1 ZINC000158175120 463212743 /nfs/dbraw/zinc/21/27/43/463212743.db2.gz UOSXCFIZVNLBRA-ZDUSSCGKSA-N 1 2 345.443 2.438 20 30 EEEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3cnn(C)c3)CC2)c(C#N)c1C ZINC000097203228 463347422 /nfs/dbraw/zinc/34/74/22/463347422.db2.gz VKUFQKXQUGCDBP-UHFFFAOYSA-N 1 2 341.415 2.320 20 30 EEEDLO C=CCCOCC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000144223589 463374423 /nfs/dbraw/zinc/37/44/23/463374423.db2.gz OANQRVAZRBBBIZ-UHFFFAOYSA-N 1 2 332.444 2.322 20 30 EEEDLO C#CCNC(=O)c1ccc(NCCCc2[nH]c3ccccc3[nH+]2)nc1 ZINC000080970319 463375867 /nfs/dbraw/zinc/37/58/67/463375867.db2.gz TYELDSNAMDPZDZ-UHFFFAOYSA-N 1 2 333.395 2.366 20 30 EEEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(C#N)cc2)CC1 ZINC000032431179 463377686 /nfs/dbraw/zinc/37/76/86/463377686.db2.gz DSFIEWBFJQKJAL-UHFFFAOYSA-N 1 2 348.406 2.198 20 30 EEEDLO N#CC1CC[NH+](CC(=O)Nc2ccc(N3CCCCC3)nc2)CC1 ZINC000057878128 463526486 /nfs/dbraw/zinc/52/64/86/463526486.db2.gz JHJCIRXQVNEMMU-UHFFFAOYSA-N 1 2 327.432 2.246 20 30 EEEDLO N#CCC[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000151414591 463527461 /nfs/dbraw/zinc/52/74/61/463527461.db2.gz CAHLHHWBSLAMCL-MSOLQXFVSA-N 1 2 342.443 2.148 20 30 EEEDLO CCCNC(=O)C1CC[NH+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000083133477 463536068 /nfs/dbraw/zinc/53/60/68/463536068.db2.gz DDZPNVLMVMYWRH-QGZVFWFLSA-N 1 2 343.427 2.011 20 30 EEEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@H]1COc2ccccc2O1 ZINC000042979057 463610737 /nfs/dbraw/zinc/61/07/37/463610737.db2.gz KMAUJZBVPLCJNT-HNNXBMFYSA-N 1 2 343.427 2.101 20 30 EEEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@H]1COc2ccccc2O1 ZINC000042979057 463610740 /nfs/dbraw/zinc/61/07/40/463610740.db2.gz KMAUJZBVPLCJNT-HNNXBMFYSA-N 1 2 343.427 2.101 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@H](O)C1 ZINC000151967177 463623346 /nfs/dbraw/zinc/62/33/46/463623346.db2.gz BDQAYHIGNWGZIA-NEPJUHHUSA-N 1 2 333.457 2.282 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@H](O)C1 ZINC000151967177 463623354 /nfs/dbraw/zinc/62/33/54/463623354.db2.gz BDQAYHIGNWGZIA-NEPJUHHUSA-N 1 2 333.457 2.282 20 30 EEEDLO C=CCNC(=O)CSc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000126507204 463642408 /nfs/dbraw/zinc/64/24/08/463642408.db2.gz BUCPNSONAIJXNU-UHFFFAOYSA-N 1 2 339.424 2.269 20 30 EEEDLO CC(C)[N@H+](CC(N)=O)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000170983586 463754951 /nfs/dbraw/zinc/75/49/51/463754951.db2.gz FKLVHCARBVBDSJ-CYBMUJFWSA-N 1 2 348.472 2.215 20 30 EEEDLO CC(C)[N@@H+](CC(N)=O)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000170983586 463754956 /nfs/dbraw/zinc/75/49/56/463754956.db2.gz FKLVHCARBVBDSJ-CYBMUJFWSA-N 1 2 348.472 2.215 20 30 EEEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000268507779 463771631 /nfs/dbraw/zinc/77/16/31/463771631.db2.gz BUJJQNBVGGWBNI-NVXWUHKLSA-N 1 2 346.427 2.104 20 30 EEEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000268507779 463771635 /nfs/dbraw/zinc/77/16/35/463771635.db2.gz BUJJQNBVGGWBNI-NVXWUHKLSA-N 1 2 346.427 2.104 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)c3ccccc3)CC2)cc1 ZINC000194052414 463780621 /nfs/dbraw/zinc/78/06/21/463780621.db2.gz BBNGTGUWWKDJMZ-UHFFFAOYSA-N 1 2 347.418 2.475 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)c3ccccc3)CC2)cc1 ZINC000194052414 463780627 /nfs/dbraw/zinc/78/06/27/463780627.db2.gz BBNGTGUWWKDJMZ-UHFFFAOYSA-N 1 2 347.418 2.475 20 30 EEEDLO C[C@@H]([NH2+][C@@H](C)c1nc(Cc2ccccc2)no1)C(=O)N(C)CCC#N ZINC000185401508 463815527 /nfs/dbraw/zinc/81/55/27/463815527.db2.gz KIGYSFUICKPKPZ-UONOGXRCSA-N 1 2 341.415 2.072 20 30 EEEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178774521 463970126 /nfs/dbraw/zinc/97/01/26/463970126.db2.gz VFTNLJBUNLWHMQ-UHFFFAOYSA-N 1 2 333.451 2.368 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000178774521 463970131 /nfs/dbraw/zinc/97/01/31/463970131.db2.gz VFTNLJBUNLWHMQ-UHFFFAOYSA-N 1 2 333.451 2.368 20 30 EEEDLO C=CCOc1ccc(CNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000288585791 464050017 /nfs/dbraw/zinc/05/00/17/464050017.db2.gz XJYGWVZIJFKHCO-MRXNPFEDSA-N 1 2 347.459 2.114 20 30 EEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(F)cc1C#N ZINC000289035672 464065721 /nfs/dbraw/zinc/06/57/21/464065721.db2.gz JQBPDHLCKHPEGC-WFASDCNBSA-N 1 2 332.379 2.024 20 30 EEEDLO Cc1nsc(N2CC[NH+](Cc3ccnn3C(C)C)CC2)c1C#N ZINC000289603608 464086752 /nfs/dbraw/zinc/08/67/52/464086752.db2.gz XYZITTLJDUVMOI-UHFFFAOYSA-N 1 2 330.461 2.423 20 30 EEEDLO NC(=[NH+]OCc1nn(-c2ccc(F)cc2)c2c1CCC2)[C@@H]1CCCO1 ZINC000284101820 464087521 /nfs/dbraw/zinc/08/75/21/464087521.db2.gz LGDYFRPSBJLUNU-KRWDZBQOSA-N 1 2 344.390 2.468 20 30 EEEDLO CCn1cc[nH+]c1C=CC(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000492355835 468391974 /nfs/dbraw/zinc/39/19/74/468391974.db2.gz BUZZJUUNRGVJPA-VOTSOKGWSA-N 1 2 346.394 2.494 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000523439609 468393807 /nfs/dbraw/zinc/39/38/07/468393807.db2.gz FLUHPVCJUCYFOB-TZMCWYRMSA-N 1 2 335.370 2.084 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000523439609 468393811 /nfs/dbraw/zinc/39/38/11/468393811.db2.gz FLUHPVCJUCYFOB-TZMCWYRMSA-N 1 2 335.370 2.084 20 30 EEEDLO CC(C)(C#N)c1ccc(C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000280130617 464189780 /nfs/dbraw/zinc/18/97/80/464189780.db2.gz DKDNEKVHCMPJAE-UHFFFAOYSA-N 1 2 329.444 2.328 20 30 EEEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccn(CCC#N)n1 ZINC000280285118 464197098 /nfs/dbraw/zinc/19/70/98/464197098.db2.gz WTSBMDJHYNDWCY-UHFFFAOYSA-N 1 2 344.325 2.372 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000188112258 464202432 /nfs/dbraw/zinc/20/24/32/464202432.db2.gz QWBSXJVIKBBZHG-ICSRJNTNSA-N 1 2 346.471 2.405 20 30 EEEDLO N#Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1O ZINC000188225936 464229116 /nfs/dbraw/zinc/22/91/16/464229116.db2.gz FBVLTYJYQUEGIW-UHFFFAOYSA-N 1 2 337.379 2.348 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000280800687 464254093 /nfs/dbraw/zinc/25/40/93/464254093.db2.gz KRYIOVTWRDLJNC-CVEARBPZSA-N 1 2 337.261 2.480 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000280800687 464254097 /nfs/dbraw/zinc/25/40/97/464254097.db2.gz KRYIOVTWRDLJNC-CVEARBPZSA-N 1 2 337.261 2.480 20 30 EEEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1)C(C)C ZINC000281059887 464317111 /nfs/dbraw/zinc/31/71/11/464317111.db2.gz LHKLDHFSMNEDJW-QGZVFWFLSA-N 1 2 347.434 2.319 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C(=O)N(CC)CC)c2ccccc2)C1=O ZINC000281235082 464381582 /nfs/dbraw/zinc/38/15/82/464381582.db2.gz FRCHAFVUAPWWJL-QZTJIDSGSA-N 1 2 343.471 2.315 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C(=O)N(CC)CC)c2ccccc2)C1=O ZINC000281235082 464381589 /nfs/dbraw/zinc/38/15/89/464381589.db2.gz FRCHAFVUAPWWJL-QZTJIDSGSA-N 1 2 343.471 2.315 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccccc2Cl)C1=O ZINC000281464807 464464592 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EEEDLO CC(C)n1cnc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000281628533 464526767 /nfs/dbraw/zinc/52/67/67/464526767.db2.gz YXPKKISSLJQVMC-UHFFFAOYSA-N 1 2 337.427 2.294 20 30 EEEDLO N#Cc1c(F)cccc1N1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000596984351 468408064 /nfs/dbraw/zinc/40/80/64/468408064.db2.gz ACSLUVGUDSZEOY-UHFFFAOYSA-N 1 2 325.391 2.162 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2SC)C1=O ZINC000281973546 464653834 /nfs/dbraw/zinc/65/38/34/464653834.db2.gz LJQJXLYCVOLFAI-AWEZNQCLSA-N 1 2 333.457 2.066 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2SC)C1=O ZINC000281973546 464653839 /nfs/dbraw/zinc/65/38/39/464653839.db2.gz LJQJXLYCVOLFAI-AWEZNQCLSA-N 1 2 333.457 2.066 20 30 EEEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000272847003 464692522 /nfs/dbraw/zinc/69/25/22/464692522.db2.gz KNHGJLLGSJFPAL-QMMMGPOBSA-N 1 2 339.280 2.157 20 30 EEEDLO COc1ncc[nH+]c1NNC=C1C(=O)CC2(CCCCC2)CC1=O ZINC000273990871 464732033 /nfs/dbraw/zinc/73/20/33/464732033.db2.gz WUBJXZYIXAZZIP-UHFFFAOYSA-N 1 2 330.388 2.168 20 30 EEEDLO C#CCN(C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1)C1CC1 ZINC000274044900 464732820 /nfs/dbraw/zinc/73/28/20/464732820.db2.gz BDBKXIMGLDLFGH-INIZCTEOSA-N 1 2 326.375 2.456 20 30 EEEDLO C#CC[N@@H+](CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)C1CC1 ZINC000274200329 464737026 /nfs/dbraw/zinc/73/70/26/464737026.db2.gz RMWSWZCNJVCGEU-IYBDPMFKSA-N 1 2 341.455 2.336 20 30 EEEDLO C#CC[N@H+](CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)C1CC1 ZINC000274200329 464737034 /nfs/dbraw/zinc/73/70/34/464737034.db2.gz RMWSWZCNJVCGEU-IYBDPMFKSA-N 1 2 341.455 2.336 20 30 EEEDLO Cc1c(-c2cc(CO[NH+]=C(N)[C@@H](C)OCC(C)C)on2)cnn1C ZINC000274362453 464742340 /nfs/dbraw/zinc/74/23/40/464742340.db2.gz VXEVGPCIVJZHQM-GFCCVEGCSA-N 1 2 335.408 2.233 20 30 EEEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000191780983 464826699 /nfs/dbraw/zinc/82/66/99/464826699.db2.gz AFWXOHFFMFALJB-AWEZNQCLSA-N 1 2 336.233 2.421 20 30 EEEDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000191780983 464826706 /nfs/dbraw/zinc/82/67/06/464826706.db2.gz AFWXOHFFMFALJB-AWEZNQCLSA-N 1 2 336.233 2.421 20 30 EEEDLO Cc1ccsc1CCNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000329977403 465494031 /nfs/dbraw/zinc/49/40/31/465494031.db2.gz ZPTXAEQMISXYMH-CQSZACIVSA-N 1 2 347.488 2.235 20 30 EEEDLO N#CCCn1ccc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)n1 ZINC000342642302 465334892 /nfs/dbraw/zinc/33/48/92/465334892.db2.gz WDRISUWMHGMZCY-OAHLLOKOSA-N 1 2 334.383 2.681 20 30 EEEDLO C=C[C@@H](CO)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000359245789 465389220 /nfs/dbraw/zinc/38/92/20/465389220.db2.gz SGYZNLOLEGJGIO-RDJZCZTQSA-N 1 2 328.416 2.087 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1cnc3n[nH]nc3c1)C2 ZINC000329679905 465405392 /nfs/dbraw/zinc/40/53/92/465405392.db2.gz RBGFAUNXUZVASM-LLVKDONJSA-N 1 2 339.403 2.167 20 30 EEEDLO C=CCC[C@@H](NC(=O)C(=O)N1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000359413216 465405536 /nfs/dbraw/zinc/40/55/36/465405536.db2.gz RLKBXJJVDNODPR-GOSISDBHSA-N 1 2 341.455 2.117 20 30 EEEDLO C[C@@H]1C[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)C[C@@H](C)S1=O ZINC000330101499 465533282 /nfs/dbraw/zinc/53/32/82/465533282.db2.gz FNGMBSQSTAYKGP-VXGBXAGGSA-N 1 2 338.429 2.235 20 30 EEEDLO CCN1CC[N@H+](Cc2cn3ccccc3c2C#N)C[C@@H]1c1ncc[nH]1 ZINC000348359748 465566238 /nfs/dbraw/zinc/56/62/38/465566238.db2.gz BMEKYSKBFWOTHK-GOSISDBHSA-N 1 2 334.427 2.413 20 30 EEEDLO CCN1CC[N@@H+](Cc2cn3ccccc3c2C#N)C[C@@H]1c1ncc[nH]1 ZINC000348359748 465566241 /nfs/dbraw/zinc/56/62/41/465566241.db2.gz BMEKYSKBFWOTHK-GOSISDBHSA-N 1 2 334.427 2.413 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CC(OCC(F)F)C1 ZINC000353009183 465582854 /nfs/dbraw/zinc/58/28/54/465582854.db2.gz FOVJERXGMJWBLB-CQSZACIVSA-N 1 2 327.371 2.121 20 30 EEEDLO COc1cc(C[N@H+](C)CC(=O)NC2(C#N)CCCCC2)cc(OC)c1 ZINC000299151312 465625829 /nfs/dbraw/zinc/62/58/29/465625829.db2.gz YSZOZXVVGUGHRL-UHFFFAOYSA-N 1 2 345.443 2.478 20 30 EEEDLO COc1cc(C[N@@H+](C)CC(=O)NC2(C#N)CCCCC2)cc(OC)c1 ZINC000299151312 465625837 /nfs/dbraw/zinc/62/58/37/465625837.db2.gz YSZOZXVVGUGHRL-UHFFFAOYSA-N 1 2 345.443 2.478 20 30 EEEDLO Cc1cc(CNC(=O)c2ccc(C#N)c(O)c2)cc(N2CCCC2)[nH+]1 ZINC000356945276 465648795 /nfs/dbraw/zinc/64/87/95/465648795.db2.gz GESIZGMNIUPEEE-UHFFFAOYSA-N 1 2 336.395 2.498 20 30 EEEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)CC(C)(C)C#N)CC1 ZINC000362520374 465800585 /nfs/dbraw/zinc/80/05/85/465800585.db2.gz PGGHXLTXVKBYDB-UHFFFAOYSA-N 1 2 342.443 2.229 20 30 EEEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3c(nnn3-c3ccccc3)C2)cc1 ZINC000366567636 465806336 /nfs/dbraw/zinc/80/63/36/465806336.db2.gz CZDCJMOACYCVSE-FQEVSTJZSA-N 1 2 345.406 2.231 20 30 EEEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3c(nnn3-c3ccccc3)C2)cc1 ZINC000366567636 465806347 /nfs/dbraw/zinc/80/63/47/465806347.db2.gz CZDCJMOACYCVSE-FQEVSTJZSA-N 1 2 345.406 2.231 20 30 EEEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2nccnc2C#N)c2ccc(Cl)cc2)C1 ZINC000301905024 466058043 /nfs/dbraw/zinc/05/80/43/466058043.db2.gz YKNYOHBYBSTOJC-CVEARBPZSA-N 1 2 343.818 2.485 20 30 EEEDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2nccnc2C#N)c2ccc(Cl)cc2)C1 ZINC000301905024 466058045 /nfs/dbraw/zinc/05/80/45/466058045.db2.gz YKNYOHBYBSTOJC-CVEARBPZSA-N 1 2 343.818 2.485 20 30 EEEDLO Cc1ccc(C)c(N2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)c1 ZINC000346392664 466093089 /nfs/dbraw/zinc/09/30/89/466093089.db2.gz UFPKSTXUMXWOJA-KRWDZBQOSA-N 1 2 340.471 2.376 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2c2ccc(F)cc2)CCCCC1 ZINC000331536616 466128976 /nfs/dbraw/zinc/12/89/76/466128976.db2.gz FYJCXDPXLCQLAQ-IAGOWNOFSA-N 1 2 345.418 2.276 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2c2ccc(F)cc2)CCCCC1 ZINC000331536616 466128986 /nfs/dbraw/zinc/12/89/86/466128986.db2.gz FYJCXDPXLCQLAQ-IAGOWNOFSA-N 1 2 345.418 2.276 20 30 EEEDLO COC(=O)c1cc(C[N@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)oc1C ZINC000357931828 466329182 /nfs/dbraw/zinc/32/91/82/466329182.db2.gz GSGAUNMHZCKITQ-KZULUSFZSA-N 1 2 349.431 2.249 20 30 EEEDLO COC(=O)c1cc(C[N@@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)oc1C ZINC000357931828 466329189 /nfs/dbraw/zinc/32/91/89/466329189.db2.gz GSGAUNMHZCKITQ-KZULUSFZSA-N 1 2 349.431 2.249 20 30 EEEDLO CCc1[nH+]c2ccccc2n1Cc1noc(-c2cnn(C)c2C#N)n1 ZINC000347054214 466354003 /nfs/dbraw/zinc/35/40/03/466354003.db2.gz SUCKBHCSXVISRN-UHFFFAOYSA-N 1 2 333.355 2.302 20 30 EEEDLO C=C(C)Cn1c(CC2CCCC2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000338802171 466389028 /nfs/dbraw/zinc/38/90/28/466389028.db2.gz MSESCXZQJBLIPE-UHFFFAOYSA-N 1 2 347.507 2.355 20 30 EEEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000363773567 466609332 /nfs/dbraw/zinc/60/93/32/466609332.db2.gz LNVGUUDAAPXCFT-UHFFFAOYSA-N 1 2 337.370 2.156 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2Cc2ccc(F)cc2C#N)O1 ZINC000374505655 466655639 /nfs/dbraw/zinc/65/56/39/466655639.db2.gz NXFYWPFQZHAPGB-QYHDQYMBSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2Cc2ccc(F)cc2C#N)O1 ZINC000374505655 466655642 /nfs/dbraw/zinc/65/56/42/466655642.db2.gz NXFYWPFQZHAPGB-QYHDQYMBSA-N 1 2 332.375 2.381 20 30 EEEDLO Cc1cc(N2CCCO[C@H](C)C2)c(C#N)c(N2CCCO[C@@H](C)C2)[nH+]1 ZINC000408518659 466673730 /nfs/dbraw/zinc/67/37/30/466673730.db2.gz SPEUQSVHXWALBG-CVEARBPZSA-N 1 2 344.459 2.492 20 30 EEEDLO CCO[C@H](C)c1noc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000370730022 466982410 /nfs/dbraw/zinc/98/24/10/466982410.db2.gz LRVLKPYEKMMIDB-OCCSQVGLSA-N 1 2 343.387 2.087 20 30 EEEDLO CCO[C@H](C)c1noc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000370730022 466982413 /nfs/dbraw/zinc/98/24/13/466982413.db2.gz LRVLKPYEKMMIDB-OCCSQVGLSA-N 1 2 343.387 2.087 20 30 EEEDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000366098310 467058753 /nfs/dbraw/zinc/05/87/53/467058753.db2.gz OTOZAKSWOYGLDQ-MRXNPFEDSA-N 1 2 329.448 2.208 20 30 EEEDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000366098310 467058757 /nfs/dbraw/zinc/05/87/57/467058757.db2.gz OTOZAKSWOYGLDQ-MRXNPFEDSA-N 1 2 329.448 2.208 20 30 EEEDLO C[C@@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)n1cccn1 ZINC000424546540 467066406 /nfs/dbraw/zinc/06/64/06/467066406.db2.gz QWHNKZYENUHSGI-INIZCTEOSA-N 1 2 337.427 2.050 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@H+](Cc1ccccc1Cl)C1COC1 ZINC000425526490 467105710 /nfs/dbraw/zinc/10/57/10/467105710.db2.gz JQFMRQLVXOSVRO-UHFFFAOYSA-N 1 2 335.835 2.303 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@@H+](Cc1ccccc1Cl)C1COC1 ZINC000425526490 467105711 /nfs/dbraw/zinc/10/57/11/467105711.db2.gz JQFMRQLVXOSVRO-UHFFFAOYSA-N 1 2 335.835 2.303 20 30 EEEDLO N#CC[N@@H+](C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CCCC1 ZINC000419208882 467176263 /nfs/dbraw/zinc/17/62/63/467176263.db2.gz SAZJVDDXEIAGHJ-INIZCTEOSA-N 1 2 343.427 2.079 20 30 EEEDLO N#CC[N@H+](C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CCCC1 ZINC000419208882 467176264 /nfs/dbraw/zinc/17/62/64/467176264.db2.gz SAZJVDDXEIAGHJ-INIZCTEOSA-N 1 2 343.427 2.079 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC2(C#N)CCC2)CC1 ZINC000419627832 467226663 /nfs/dbraw/zinc/22/66/63/467226663.db2.gz PCSBPTJDCQUFIX-OAHLLOKOSA-N 1 2 327.432 2.164 20 30 EEEDLO CCN1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433110506 467293744 /nfs/dbraw/zinc/29/37/44/467293744.db2.gz PKXPOAWFHSTJTR-QGZVFWFLSA-N 1 2 349.438 2.218 20 30 EEEDLO C=CCCOCCCCC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000433111528 467293872 /nfs/dbraw/zinc/29/38/72/467293872.db2.gz VBXPPFQMEDTIOA-INIZCTEOSA-N 1 2 334.464 2.378 20 30 EEEDLO N#C[C@@H](CCc1ccccc1)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000433224407 467310227 /nfs/dbraw/zinc/31/02/27/467310227.db2.gz ZCPZDPZUDACHNF-LJQANCHMSA-N 1 2 348.450 2.498 20 30 EEEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)s1 ZINC000420888872 467505422 /nfs/dbraw/zinc/50/54/22/467505422.db2.gz NNJWAZWIKBWTBX-UHFFFAOYSA-N 1 2 341.440 2.042 20 30 EEEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439456200 467567338 /nfs/dbraw/zinc/56/73/38/467567338.db2.gz XLHBTCZCCOQURM-ZWNOBZJWSA-N 1 2 345.212 2.419 20 30 EEEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439456200 467567340 /nfs/dbraw/zinc/56/73/40/467567340.db2.gz XLHBTCZCCOQURM-ZWNOBZJWSA-N 1 2 345.212 2.419 20 30 EEEDLO Cc1[nH]c(C#N)cc1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000448793348 467602416 /nfs/dbraw/zinc/60/24/16/467602416.db2.gz SAKOTCALVACYTJ-UHFFFAOYSA-N 1 2 337.427 2.195 20 30 EEEDLO C=C(C)CCNC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000455332940 467665986 /nfs/dbraw/zinc/66/59/86/467665986.db2.gz YQZJQYIQSDCJIH-KRWDZBQOSA-N 1 2 325.453 2.058 20 30 EEEDLO Cn1cc(I)c(C[NH2+][C@H]2CCC[C@H](C#N)C2)n1 ZINC000449601844 467669222 /nfs/dbraw/zinc/66/92/22/467669222.db2.gz AXZNUPZCMQQLAN-UWVGGRQHSA-N 1 2 344.200 2.197 20 30 EEEDLO C=CCC[C@H]([NH2+]Cc1cn(C)nc1-c1cccnc1)C(=O)OCC ZINC000449654537 467678540 /nfs/dbraw/zinc/67/85/40/467678540.db2.gz FCNMZAWZDMOQKA-INIZCTEOSA-N 1 2 328.416 2.470 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000450067115 467771502 /nfs/dbraw/zinc/77/15/02/467771502.db2.gz JMXZEINAPGERME-SJORKVTESA-N 1 2 325.412 2.333 20 30 EEEDLO CC(C)(C)[C@H](C#N)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450117468 467780176 /nfs/dbraw/zinc/78/01/76/467780176.db2.gz TVQGKBDZGIUNMS-AWEZNQCLSA-N 1 2 327.344 2.449 20 30 EEEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000493304399 467882302 /nfs/dbraw/zinc/88/23/02/467882302.db2.gz QPIYWPZGDHZDAR-VOTSOKGWSA-N 1 2 335.411 2.395 20 30 EEEDLO CCn1cc[nH+]c1/C=C\C(=O)N(CCOC)Cc1ccc(C#N)cc1 ZINC000493611488 467947864 /nfs/dbraw/zinc/94/78/64/467947864.db2.gz LWIDHIWBIICRBS-HJWRWDBZSA-N 1 2 338.411 2.463 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494260177 468040294 /nfs/dbraw/zinc/04/02/94/468040294.db2.gz SDIGIIUJXVBEEP-UHFFFAOYSA-N 1 2 333.388 2.192 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494260177 468040296 /nfs/dbraw/zinc/04/02/96/468040296.db2.gz SDIGIIUJXVBEEP-UHFFFAOYSA-N 1 2 333.388 2.192 20 30 EEEDLO CC(C)(C)OC(=O)N1CC2(CC(N=NC3=[NH+][C@H]4CCCC[C@@H]4N3)C2)C1 ZINC000495793584 468103260 /nfs/dbraw/zinc/10/32/60/468103260.db2.gz JLOMASMXRPPGMJ-KBPBESRZSA-N 1 2 347.463 2.233 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000519602398 468180479 /nfs/dbraw/zinc/18/04/79/468180479.db2.gz GBAZPAHLOLEBDZ-MRXNPFEDSA-N 1 2 349.341 2.248 20 30 EEEDLO CN(CCC#N)C[C@H](O)C[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000578186376 468199133 /nfs/dbraw/zinc/19/91/33/468199133.db2.gz JOJWFNIBKVLYAK-HZPDHXFCSA-N 1 2 330.457 2.028 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)CN[C@@H](c1nccs1)c1ccccc1 ZINC000578186376 468199139 /nfs/dbraw/zinc/19/91/39/468199139.db2.gz JOJWFNIBKVLYAK-HZPDHXFCSA-N 1 2 330.457 2.028 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)CN[C@@H](c1nccs1)c1ccccc1 ZINC000578186376 468199145 /nfs/dbraw/zinc/19/91/45/468199145.db2.gz JOJWFNIBKVLYAK-HZPDHXFCSA-N 1 2 330.457 2.028 20 30 EEEDLO Cc1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)n(C)n1 ZINC000520203857 468232995 /nfs/dbraw/zinc/23/29/95/468232995.db2.gz JGIDVECHPJXVPO-UHFFFAOYSA-N 1 2 346.438 2.471 20 30 EEEDLO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[NH2+][C@@H](CC)CC#N ZINC000569590235 468514937 /nfs/dbraw/zinc/51/49/37/468514937.db2.gz UMDXJOWJEICKPB-INIZCTEOSA-N 1 2 344.459 2.454 20 30 EEEDLO COCCOc1ccc(C#N)cc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000594338618 468555762 /nfs/dbraw/zinc/55/57/62/468555762.db2.gz BSAONFRADXLODM-LBPRGKRZSA-N 1 2 328.372 2.124 20 30 EEEDLO COCCOc1ccc(C#N)cc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000594338618 468555765 /nfs/dbraw/zinc/55/57/65/468555765.db2.gz BSAONFRADXLODM-LBPRGKRZSA-N 1 2 328.372 2.124 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(N2CCCCCC2)nc1 ZINC000570097765 468589486 /nfs/dbraw/zinc/58/94/86/468589486.db2.gz KNYAVIZJEOCVLJ-GOSISDBHSA-N 1 2 329.448 2.036 20 30 EEEDLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CC#N)C1)c1cc2ccccc2o1 ZINC000592150517 468639713 /nfs/dbraw/zinc/63/97/13/468639713.db2.gz FVCNFQIDPXJUMM-CKFHNAJUSA-N 1 2 341.411 2.349 20 30 EEEDLO C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@](O)(CC#N)C1)c1cc2ccccc2o1 ZINC000592150517 468639719 /nfs/dbraw/zinc/63/97/19/468639719.db2.gz FVCNFQIDPXJUMM-CKFHNAJUSA-N 1 2 341.411 2.349 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)C1 ZINC000592149368 468640551 /nfs/dbraw/zinc/64/05/51/468640551.db2.gz NRSMPFOKVWNULE-KRWDZBQOSA-N 1 2 343.456 2.003 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)C1 ZINC000592149368 468640556 /nfs/dbraw/zinc/64/05/56/468640556.db2.gz NRSMPFOKVWNULE-KRWDZBQOSA-N 1 2 343.456 2.003 20 30 EEEDLO N#Cc1ccc(-n2cc(C[NH+]3CCN(c4ccccc4)CC3)nn2)cc1 ZINC000594651129 468643460 /nfs/dbraw/zinc/64/34/60/468643460.db2.gz GEUJTGYTQQJHHI-UHFFFAOYSA-N 1 2 344.422 2.461 20 30 EEEDLO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)c2[nH+]ccn21 ZINC000570790509 468692000 /nfs/dbraw/zinc/69/20/00/468692000.db2.gz WBJYHQOOOMWKNC-SKDRFNHKSA-N 1 2 336.804 2.392 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCN(c2ccccc2Cl)C1 ZINC000570846743 468703291 /nfs/dbraw/zinc/70/32/91/468703291.db2.gz DGAUPJCVZLUMHQ-GUYCJALGSA-N 1 2 334.851 2.126 20 30 EEEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC([C@@H](C)CO)CC2)c(C#N)c1C ZINC000593082433 468863368 /nfs/dbraw/zinc/86/33/68/468863368.db2.gz HKVSKNHAYTZAFZ-AAEUAGOBSA-N 1 2 333.432 2.436 20 30 EEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)CC12CCCCC2 ZINC000601460168 468883159 /nfs/dbraw/zinc/88/31/59/468883159.db2.gz OSZPNSRLCMHRLS-UHFFFAOYSA-N 1 2 339.486 2.259 20 30 EEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)CC12CCCCC2 ZINC000601460168 468883162 /nfs/dbraw/zinc/88/31/62/468883162.db2.gz OSZPNSRLCMHRLS-UHFFFAOYSA-N 1 2 339.486 2.259 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000593154321 468888548 /nfs/dbraw/zinc/88/85/48/468888548.db2.gz ICBICKJMBGWYEV-AWEZNQCLSA-N 1 2 330.215 2.332 20 30 EEEDLO N#CCC[C@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000595565640 468903790 /nfs/dbraw/zinc/90/37/90/468903790.db2.gz CDJJOIPVVBVPGX-MSOLQXFVSA-N 1 2 342.443 2.148 20 30 EEEDLO COC(=O)[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1CCC[C@@H](OC)C1 ZINC000595563907 468904101 /nfs/dbraw/zinc/90/41/01/468904101.db2.gz OGBGMQGGVLMKGF-KZNAEPCWSA-N 1 2 330.428 2.437 20 30 EEEDLO N#Cc1ccc(CCNC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000595694876 468958694 /nfs/dbraw/zinc/95/86/94/468958694.db2.gz VVHKXZLYFXEBFK-UHFFFAOYSA-N 1 2 349.438 2.023 20 30 EEEDLO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000602675730 469004843 /nfs/dbraw/zinc/00/48/43/469004843.db2.gz JLTQXGQVUPXDTL-HNNXBMFYSA-N 1 2 325.416 2.456 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602791682 469077901 /nfs/dbraw/zinc/07/79/01/469077901.db2.gz RRAWYQUSXYNBBU-HNNXBMFYSA-N 1 2 344.434 2.464 20 30 EEEDLO N#CCC[C@H](C#N)C[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000562986596 469123090 /nfs/dbraw/zinc/12/30/90/469123090.db2.gz MYKMSFMFSUEFSS-GFCCVEGCSA-N 1 2 325.821 2.147 20 30 EEEDLO CCc1cnc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000562990053 469125497 /nfs/dbraw/zinc/12/54/97/469125497.db2.gz CTQRYWMFOLNTHL-UHFFFAOYSA-N 1 2 335.454 2.141 20 30 EEEDLO N#Cc1cnnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)c1 ZINC000596064252 469136205 /nfs/dbraw/zinc/13/62/05/469136205.db2.gz FBBHMPMLKDTCAD-UHFFFAOYSA-N 1 2 343.818 2.203 20 30 EEEDLO CN(C)c1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000611252728 469210525 /nfs/dbraw/zinc/21/05/25/469210525.db2.gz BDNGIXSYAMEOOH-UHFFFAOYSA-N 1 2 335.455 2.337 20 30 EEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000603024021 469228014 /nfs/dbraw/zinc/22/80/14/469228014.db2.gz DRYFRFAGXBHFKK-UHFFFAOYSA-N 1 2 341.436 2.072 20 30 EEEDLO Cc1cc(C#N)ccc1C[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000603024021 469228015 /nfs/dbraw/zinc/22/80/15/469228015.db2.gz DRYFRFAGXBHFKK-UHFFFAOYSA-N 1 2 341.436 2.072 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(OCCO)CC2)c1C#N ZINC000611348689 469233504 /nfs/dbraw/zinc/23/35/04/469233504.db2.gz FFRBHUOYSWBRDL-UHFFFAOYSA-N 1 2 340.427 2.026 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000574034730 469249860 /nfs/dbraw/zinc/24/98/60/469249860.db2.gz MTZXMXYVEVJDFE-LLVKDONJSA-N 1 2 325.434 2.005 20 30 EEEDLO Cc1cc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2ccnn2C)ccc1C#N ZINC000599443629 469258551 /nfs/dbraw/zinc/25/85/51/469258551.db2.gz DEDNSSCBUQEOME-IBGZPJMESA-N 1 2 332.411 2.471 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1cccc(OC(F)F)c1 ZINC000565052267 469266677 /nfs/dbraw/zinc/26/66/77/469266677.db2.gz WOPCNLQLGZCOJJ-INIZCTEOSA-N 1 2 325.359 2.181 20 30 EEEDLO COc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1Br ZINC000602331624 469286289 /nfs/dbraw/zinc/28/62/89/469286289.db2.gz GMRDYCYAPWCAPL-AWEZNQCLSA-N 1 2 340.221 2.031 20 30 EEEDLO CC(C)(CNc1c(C#N)cnn1-c1ccccc1)[NH+]1CCOCC1 ZINC000603278265 469333778 /nfs/dbraw/zinc/33/37/78/469333778.db2.gz UOEASNLIGHLSIV-UHFFFAOYSA-N 1 2 325.416 2.267 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798040 469390769 /nfs/dbraw/zinc/39/07/69/469390769.db2.gz BKBGJWLPCPTKFW-IFXJQAMLSA-N 1 2 328.412 2.177 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798040 469390776 /nfs/dbraw/zinc/39/07/76/469390776.db2.gz BKBGJWLPCPTKFW-IFXJQAMLSA-N 1 2 328.412 2.177 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CC(=O)N1CCCC1 ZINC000623052507 469535654 /nfs/dbraw/zinc/53/56/54/469535654.db2.gz JOBQSBBPDLTMMH-OAHLLOKOSA-N 1 2 349.500 2.205 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CCCC1 ZINC000623052507 469535658 /nfs/dbraw/zinc/53/56/58/469535658.db2.gz JOBQSBBPDLTMMH-OAHLLOKOSA-N 1 2 349.500 2.205 20 30 EEEDLO C=C(C)COc1cc(C[NH2+]Cc2nnnn2C2CC2)ccc1OC ZINC000608068516 469766241 /nfs/dbraw/zinc/76/62/41/469766241.db2.gz MZDJXAQWJDJDKH-UHFFFAOYSA-N 1 2 329.404 2.261 20 30 EEEDLO N#Cc1cnc2c(F)ccc(F)c2c1NCC1([NH+]2CCOCC2)CC1 ZINC000617975648 469863057 /nfs/dbraw/zinc/86/30/57/469863057.db2.gz DTBGUEDATRRMTH-UHFFFAOYSA-N 1 2 344.365 2.083 20 30 EEEDLO N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000614367120 469922340 /nfs/dbraw/zinc/92/23/40/469922340.db2.gz GMDZHTNTVXNTHZ-QGZVFWFLSA-N 1 2 349.438 2.056 20 30 EEEDLO CCN(C(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1)c1ccccc1 ZINC000609487106 469932823 /nfs/dbraw/zinc/93/28/23/469932823.db2.gz WTFRYWBSZYYXAF-GOSISDBHSA-N 1 2 328.460 2.205 20 30 EEEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCC[N@H+]1CCOC[C@@H]1C ZINC000610276122 469998845 /nfs/dbraw/zinc/99/88/45/469998845.db2.gz RUGMQFPDESBNSR-ZDUSSCGKSA-N 1 2 328.391 2.109 20 30 EEEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCC[N@@H+]1CCOC[C@@H]1C ZINC000610276122 469998848 /nfs/dbraw/zinc/99/88/48/469998848.db2.gz RUGMQFPDESBNSR-ZDUSSCGKSA-N 1 2 328.391 2.109 20 30 EEEDLO C(#CC[N@@H+]1CCC[C@@H]1c1ncccn1)CN1CCC[C@@H]1c1ncccn1 ZINC000639867506 470702286 /nfs/dbraw/zinc/70/22/86/470702286.db2.gz KOJCCAQPRYFMNT-QZTJIDSGSA-N 1 2 348.454 2.244 20 30 EEEDLO C(#CC[N@H+]1CCC[C@@H]1c1ncccn1)CN1CCC[C@@H]1c1ncccn1 ZINC000639867506 470702290 /nfs/dbraw/zinc/70/22/90/470702290.db2.gz KOJCCAQPRYFMNT-QZTJIDSGSA-N 1 2 348.454 2.244 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncc(C)o3)C2)CCOCC1 ZINC000644681007 471012419 /nfs/dbraw/zinc/01/24/19/471012419.db2.gz ZNAVTYCGKQAPEC-MRXNPFEDSA-N 1 2 347.459 2.389 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncc(C)o3)C2)CCOCC1 ZINC000644681007 471012422 /nfs/dbraw/zinc/01/24/22/471012422.db2.gz ZNAVTYCGKQAPEC-MRXNPFEDSA-N 1 2 347.459 2.389 20 30 EEEDLO C=CCCn1cc(C[NH2+]Cc2ccc(OC)c(OC)c2OC)nn1 ZINC000657315235 471096045 /nfs/dbraw/zinc/09/60/45/471096045.db2.gz OOEVEPLEDIMPRV-UHFFFAOYSA-N 1 2 332.404 2.170 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccc(C)c(C)c2)nn1 ZINC000640924981 471122417 /nfs/dbraw/zinc/12/24/17/471122417.db2.gz MDHNGXZAZOGTKS-OAHLLOKOSA-N 1 2 325.416 2.208 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645363842 471226558 /nfs/dbraw/zinc/22/65/58/471226558.db2.gz VMLDPBLFZGOPIP-YJBOKZPZSA-N 1 2 342.443 2.466 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](CC)c1nnc2n1CCCCC2 ZINC000661937564 471929624 /nfs/dbraw/zinc/92/96/24/471929624.db2.gz MYPMUGIGDZRFQR-HNNXBMFYSA-N 1 2 331.464 2.246 20 30 EEEDLO C=CCN(C(=O)NCc1ccc[nH+]c1N1CCCC1)[C@H](C)COC ZINC000665614849 472112177 /nfs/dbraw/zinc/11/21/77/472112177.db2.gz SMFBGNLZLVPQIC-OAHLLOKOSA-N 1 2 332.448 2.414 20 30 EEEDLO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000677479905 486441130 /nfs/dbraw/zinc/44/11/30/486441130.db2.gz QTFOAVWAXLBDAM-ZBFHGGJFSA-N 1 2 338.448 2.370 20 30 EEEDLO CCC#C[C@@H](C)[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000677479905 486441133 /nfs/dbraw/zinc/44/11/33/486441133.db2.gz QTFOAVWAXLBDAM-ZBFHGGJFSA-N 1 2 338.448 2.370 20 30 EEEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C3OCCO3)CC2)c(C#N)c1C ZINC000171238699 534548113 /nfs/dbraw/zinc/54/81/13/534548113.db2.gz VZTQATLQOYZULH-GFCCVEGCSA-N 1 2 347.415 2.180 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[N@H+](CCOCCC#N)C[C@@](C)(F)C1 ZINC000496079190 534837948 /nfs/dbraw/zinc/83/79/48/534837948.db2.gz BJDRSJQTMUJVHS-MRXNPFEDSA-N 1 2 329.416 2.198 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCOCCC#N)C[C@@](C)(F)C1 ZINC000496079190 534837952 /nfs/dbraw/zinc/83/79/52/534837952.db2.gz BJDRSJQTMUJVHS-MRXNPFEDSA-N 1 2 329.416 2.198 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C#N)cs3)C[C@@H]2C1 ZINC000496124039 534864635 /nfs/dbraw/zinc/86/46/35/534864635.db2.gz BAJGZEAXADWIOE-TXEJJXNPSA-N 1 2 334.445 2.313 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3nc(C#N)cs3)C[C@@H]2C1 ZINC000496124039 534864639 /nfs/dbraw/zinc/86/46/39/534864639.db2.gz BAJGZEAXADWIOE-TXEJJXNPSA-N 1 2 334.445 2.313 20 30 EEEDLO C=C(C)COc1cc(C[NH2+]Cc2nnnn2CC2CC2)ccc1OC ZINC000349656043 526660820 /nfs/dbraw/zinc/66/08/20/526660820.db2.gz OAOQIGCQHQETTH-UHFFFAOYSA-N 1 2 343.431 2.336 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CC[NH+](CCOCC)CC2)cc1OC ZINC000110918562 526839285 /nfs/dbraw/zinc/83/92/85/526839285.db2.gz VVGXOGZEALGMPZ-UHFFFAOYSA-N 1 2 348.443 2.054 20 30 EEEDLO C=CC[C@@H](CO)CNC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000416194022 527072537 /nfs/dbraw/zinc/07/25/37/527072537.db2.gz SPDLLCUFXVNKGA-CQSZACIVSA-N 1 2 339.439 2.137 20 30 EEEDLO C=CC[C@@H](CO)CNC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000416194022 527072548 /nfs/dbraw/zinc/07/25/48/527072548.db2.gz SPDLLCUFXVNKGA-CQSZACIVSA-N 1 2 339.439 2.137 20 30 EEEDLO C=CC[C@H](C)NC(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000116971856 527128044 /nfs/dbraw/zinc/12/80/44/527128044.db2.gz KDIHWTWWVGVNQA-HNNXBMFYSA-N 1 2 347.459 2.496 20 30 EEEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000111250920 527681136 /nfs/dbraw/zinc/68/11/36/527681136.db2.gz MBKBHYUFUQYLJB-MRXNPFEDSA-N 1 2 329.444 2.368 20 30 EEEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000111250920 527681141 /nfs/dbraw/zinc/68/11/41/527681141.db2.gz MBKBHYUFUQYLJB-MRXNPFEDSA-N 1 2 329.444 2.368 20 30 EEEDLO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1=O ZINC000361452223 527789290 /nfs/dbraw/zinc/78/92/90/527789290.db2.gz ZCZNHBBDVWHDLY-HZPDHXFCSA-N 1 2 340.427 2.089 20 30 EEEDLO CC1(C)NC(=O)N(CC[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1=O ZINC000361452223 527789305 /nfs/dbraw/zinc/78/93/05/527789305.db2.gz ZCZNHBBDVWHDLY-HZPDHXFCSA-N 1 2 340.427 2.089 20 30 EEEDLO CCSc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000350750486 529240721 /nfs/dbraw/zinc/24/07/21/529240721.db2.gz ZJGZPTMRPHEEDW-UHFFFAOYSA-N 1 2 347.484 2.487 20 30 EEEDLO C=CCN(CCc1ccccc1)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726257069 576251846 /nfs/dbraw/zinc/25/18/46/576251846.db2.gz OMXGWYGYOCSQEZ-QGZVFWFLSA-N 1 2 331.460 2.147 20 30 EEEDLO C=CCN(CCc1ccccc1)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726257069 576251848 /nfs/dbraw/zinc/25/18/48/576251848.db2.gz OMXGWYGYOCSQEZ-QGZVFWFLSA-N 1 2 331.460 2.147 20 30 EEEDLO N#CCOc1ccc(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000728755400 576524255 /nfs/dbraw/zinc/52/42/55/576524255.db2.gz MALWQLMUTIDDSM-MRXNPFEDSA-N 1 2 339.399 2.332 20 30 EEEDLO COc1cccc([C@H](C#N)NC(=O)CCCn2cc[nH+]c2)c1OC ZINC000729431093 576653996 /nfs/dbraw/zinc/65/39/96/576653996.db2.gz ARLQXJBOJCVKAF-AWEZNQCLSA-N 1 2 328.372 2.062 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(/C=C/C(=O)OCC)cc1 ZINC000730095681 576713894 /nfs/dbraw/zinc/71/38/94/576713894.db2.gz BIDYPOQHFXPFEL-KQPPXVQYSA-N 1 2 326.396 2.299 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(/C=C/C(=O)OCC)cc1 ZINC000730095681 576713898 /nfs/dbraw/zinc/71/38/98/576713898.db2.gz BIDYPOQHFXPFEL-KQPPXVQYSA-N 1 2 326.396 2.299 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000732204389 577156632 /nfs/dbraw/zinc/15/66/32/577156632.db2.gz VCIQMJHOBJRUHC-KRWDZBQOSA-N 1 2 341.411 2.164 20 30 EEEDLO C#C[C@@H](Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCO1 ZINC000772255758 577259969 /nfs/dbraw/zinc/25/99/69/577259969.db2.gz KRLAUVLAUNUIAL-CVEARBPZSA-N 1 2 338.367 2.375 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000734442762 577297405 /nfs/dbraw/zinc/29/74/05/577297405.db2.gz FZFJKGXLWRHCRC-AWEZNQCLSA-N 1 2 344.802 2.104 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000734442762 577297406 /nfs/dbraw/zinc/29/74/06/577297406.db2.gz FZFJKGXLWRHCRC-AWEZNQCLSA-N 1 2 344.802 2.104 20 30 EEEDLO C#C[C@@H](NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)[C@H]1CCCO1 ZINC000772879212 577303136 /nfs/dbraw/zinc/30/31/36/577303136.db2.gz FYHTTWGJYDGVAX-HZPDHXFCSA-N 1 2 343.452 2.173 20 30 EEEDLO C#C[C@@H](NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1)[C@H]1CCCO1 ZINC000773215869 577323614 /nfs/dbraw/zinc/32/36/14/577323614.db2.gz VJVBCMVLITYKFN-IAGOWNOFSA-N 1 2 342.443 2.052 20 30 EEEDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766633139 577522477 /nfs/dbraw/zinc/52/24/77/577522477.db2.gz PIPUPLPWNTZCHF-CQSZACIVSA-N 1 2 335.407 2.449 20 30 EEEDLO C[C@@H]1COc2ccccc2C[N@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766633139 577522478 /nfs/dbraw/zinc/52/24/78/577522478.db2.gz PIPUPLPWNTZCHF-CQSZACIVSA-N 1 2 335.407 2.449 20 30 EEEDLO N#CCCN1CC[NH+](C[C@@H](O)c2ccccc2Br)CC1 ZINC000760942659 577672529 /nfs/dbraw/zinc/67/25/29/577672529.db2.gz BQHMOBVTAJIFPT-OAHLLOKOSA-N 1 2 338.249 2.014 20 30 EEEDLO Cc1ccc(N2CCC[C@H]([NH+]3CCN(CCC#N)CC3)C2=O)cc1 ZINC000760943925 577672613 /nfs/dbraw/zinc/67/26/13/577672613.db2.gz NHEJIEMACMWUDC-SFHVURJKSA-N 1 2 326.444 2.022 20 30 EEEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3cccc(F)c3C#N)cn2c1 ZINC000751026732 577747210 /nfs/dbraw/zinc/74/72/10/577747210.db2.gz AFLFVORFXKZBMU-UHFFFAOYSA-N 1 2 344.371 2.132 20 30 EEEDLO COCC#CCOC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000754954601 577816942 /nfs/dbraw/zinc/81/69/42/577816942.db2.gz ORBUOKOENTVMDF-UHFFFAOYSA-N 1 2 325.368 2.204 20 30 EEEDLO CCNc1nc(N=NCc2c[nH+]c3cccc(C)n23)nc(NCC)n1 ZINC000755512660 577826029 /nfs/dbraw/zinc/82/60/29/577826029.db2.gz QSZDPEQGBHGTKI-UHFFFAOYSA-N 1 2 339.407 2.137 20 30 EEEDLO C=CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000745104522 577909147 /nfs/dbraw/zinc/90/91/47/577909147.db2.gz NCUGYDFFFNSRHH-NVXWUHKLSA-N 1 2 330.428 2.275 20 30 EEEDLO C=CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000745104522 577909148 /nfs/dbraw/zinc/90/91/48/577909148.db2.gz NCUGYDFFFNSRHH-NVXWUHKLSA-N 1 2 330.428 2.275 20 30 EEEDLO N#CCn1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cn1 ZINC000747369811 577943071 /nfs/dbraw/zinc/94/30/71/577943071.db2.gz ADLDBCMXZMNABE-MRXNPFEDSA-N 1 2 327.363 2.149 20 30 EEEDLO N#CCn1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cn1 ZINC000747369811 577943072 /nfs/dbraw/zinc/94/30/72/577943072.db2.gz ADLDBCMXZMNABE-MRXNPFEDSA-N 1 2 327.363 2.149 20 30 EEEDLO N#CCn1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cn1 ZINC000747369808 577943092 /nfs/dbraw/zinc/94/30/92/577943092.db2.gz ADLDBCMXZMNABE-INIZCTEOSA-N 1 2 327.363 2.149 20 30 EEEDLO N#CCn1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cn1 ZINC000747369808 577943093 /nfs/dbraw/zinc/94/30/93/577943093.db2.gz ADLDBCMXZMNABE-INIZCTEOSA-N 1 2 327.363 2.149 20 30 EEEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000741148023 578113802 /nfs/dbraw/zinc/11/38/02/578113802.db2.gz NSGIWJGWKSFQPE-XJKSGUPXSA-N 1 2 329.400 2.303 20 30 EEEDLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000741148023 578113803 /nfs/dbraw/zinc/11/38/03/578113803.db2.gz NSGIWJGWKSFQPE-XJKSGUPXSA-N 1 2 329.400 2.303 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1 ZINC000741731632 578123298 /nfs/dbraw/zinc/12/32/98/578123298.db2.gz QKFPVIKFGAIZQA-INIZCTEOSA-N 1 2 328.412 2.173 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1 ZINC000741731632 578123299 /nfs/dbraw/zinc/12/32/99/578123299.db2.gz QKFPVIKFGAIZQA-INIZCTEOSA-N 1 2 328.412 2.173 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2[nH]nc3c2cccc3OC)C1 ZINC000969769779 675196761 /nfs/dbraw/zinc/19/67/61/675196761.db2.gz SGPDBARCHCRDKU-LLVKDONJSA-N 1 2 348.834 2.374 20 30 EEEDLO Cc1cc(C(=O)N[C@H](C)C2C[NH+](CC#Cc3ccc(F)cc3)C2)on1 ZINC000969270436 674772742 /nfs/dbraw/zinc/77/27/42/674772742.db2.gz XHMZZAZPYPZICP-CQSZACIVSA-N 1 2 341.386 2.224 20 30 EEEDLO Cc1ncoc1C(=O)N[C@@H](C)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000969456789 675048386 /nfs/dbraw/zinc/04/83/86/675048386.db2.gz RZVBTLCUWJXGPD-ZDUSSCGKSA-N 1 2 341.386 2.224 20 30 EEEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC000969526718 675092706 /nfs/dbraw/zinc/09/27/06/675092706.db2.gz OGTOBHRMPLEQGL-LLVKDONJSA-N 1 2 343.818 2.185 20 30 EEEDLO Cc1conc1C(=O)N[C@@H](C)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000970702998 676090637 /nfs/dbraw/zinc/09/06/37/676090637.db2.gz NNIRLZXEXMMJFS-AWEZNQCLSA-N 1 2 341.386 2.224 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC000970823619 676183512 /nfs/dbraw/zinc/18/35/12/676183512.db2.gz NVJISAKDDABPKC-GUYCJALGSA-N 1 2 334.847 2.317 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H](C)C1C[NH+](Cc2cnc(C)cn2)C1 ZINC000969838602 675243118 /nfs/dbraw/zinc/24/31/18/675243118.db2.gz ZTBPKHCRBAXXCN-OAHLLOKOSA-N 1 2 339.443 2.023 20 30 EEEDLO C#C[C@H]1CCCCN1C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000890652122 675244446 /nfs/dbraw/zinc/24/44/46/675244446.db2.gz JVQICCJKMXUNJL-KRWDZBQOSA-N 1 2 342.439 2.076 20 30 EEEDLO C#C[C@H]1CCCCN1C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000890652122 675244448 /nfs/dbraw/zinc/24/44/48/675244448.db2.gz JVQICCJKMXUNJL-KRWDZBQOSA-N 1 2 342.439 2.076 20 30 EEEDLO C#C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000890652123 675244552 /nfs/dbraw/zinc/24/45/52/675244552.db2.gz JVQICCJKMXUNJL-QGZVFWFLSA-N 1 2 342.439 2.076 20 30 EEEDLO C#C[C@@H]1CCCCN1C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000890652123 675244553 /nfs/dbraw/zinc/24/45/53/675244553.db2.gz JVQICCJKMXUNJL-QGZVFWFLSA-N 1 2 342.439 2.076 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nc3cnccc3s2)C1 ZINC000970119344 675523725 /nfs/dbraw/zinc/52/37/25/675523725.db2.gz GGAWWVRPQXZOGP-JTQLQIEISA-N 1 2 336.848 2.494 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC000970190971 675683289 /nfs/dbraw/zinc/68/32/89/675683289.db2.gz PIWNELVXIXKHKO-JTQLQIEISA-N 1 2 333.823 2.069 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ncoc2[C@H]2CCCO2)C1 ZINC000970264402 675754462 /nfs/dbraw/zinc/75/44/62/675754462.db2.gz HVZCGYWLKIITLK-WCQYABFASA-N 1 2 339.823 2.329 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000970319437 675787946 /nfs/dbraw/zinc/78/79/46/675787946.db2.gz FAYZKLWKOFBWTC-MRXNPFEDSA-N 1 2 345.406 2.439 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC000970342854 675798498 /nfs/dbraw/zinc/79/84/98/675798498.db2.gz FXYNKPOFEBSWKL-QWHCGFSZSA-N 1 2 349.853 2.153 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3coc4ccccc34)C2)C1 ZINC000972699313 679661131 /nfs/dbraw/zinc/66/11/31/679661131.db2.gz CGAKOEVKRDWCIE-HXUWFJFHSA-N 1 2 338.407 2.373 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3coc4ccccc34)C2)C1 ZINC000972699313 679661132 /nfs/dbraw/zinc/66/11/32/679661132.db2.gz CGAKOEVKRDWCIE-HXUWFJFHSA-N 1 2 338.407 2.373 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnc(COC)s2)C1 ZINC000970977993 676288965 /nfs/dbraw/zinc/28/89/65/676288965.db2.gz KJIMLMCKZQKFLJ-SNVBAGLBSA-N 1 2 329.853 2.092 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2cnccc2C)C1 ZINC000971263120 676463406 /nfs/dbraw/zinc/46/34/06/676463406.db2.gz IWPQYVCBSPGMOF-ZDUSSCGKSA-N 1 2 338.249 2.445 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2cnccc2C)C1 ZINC000971263120 676463407 /nfs/dbraw/zinc/46/34/07/676463407.db2.gz IWPQYVCBSPGMOF-ZDUSSCGKSA-N 1 2 338.249 2.445 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000971354726 676498121 /nfs/dbraw/zinc/49/81/21/676498121.db2.gz JMGKRJULTOWPOQ-ROUUACIJSA-N 1 2 345.418 2.299 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000971354726 676498123 /nfs/dbraw/zinc/49/81/23/676498123.db2.gz JMGKRJULTOWPOQ-ROUUACIJSA-N 1 2 345.418 2.299 20 30 EEEDLO COC(=O)[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C)C1 ZINC000933174222 676501013 /nfs/dbraw/zinc/50/10/13/676501013.db2.gz VAVHLQGXRUWALT-IUODEOHRSA-N 1 2 340.383 2.382 20 30 EEEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C)C1 ZINC000933174222 676501014 /nfs/dbraw/zinc/50/10/14/676501014.db2.gz VAVHLQGXRUWALT-IUODEOHRSA-N 1 2 340.383 2.382 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2[nH]ccc2C)C1 ZINC000971444416 676556907 /nfs/dbraw/zinc/55/69/07/676556907.db2.gz AXRCPJKOJAQXAE-GFCCVEGCSA-N 1 2 326.238 2.378 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2[nH]ccc2C)C1 ZINC000971444416 676556908 /nfs/dbraw/zinc/55/69/08/676556908.db2.gz AXRCPJKOJAQXAE-GFCCVEGCSA-N 1 2 326.238 2.378 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc4ccccc4n3)CC2)C1 ZINC000949518128 676565724 /nfs/dbraw/zinc/56/57/24/676565724.db2.gz LZTMOZAKZLHRRM-UHFFFAOYSA-N 1 2 349.434 2.175 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc4ccccc4n3)CC2)C1 ZINC000949518128 676565727 /nfs/dbraw/zinc/56/57/27/676565727.db2.gz LZTMOZAKZLHRRM-UHFFFAOYSA-N 1 2 349.434 2.175 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C1 ZINC000971535889 676614813 /nfs/dbraw/zinc/61/48/13/676614813.db2.gz WCQKJNROYROJNR-SNVBAGLBSA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C1 ZINC000971535889 676614815 /nfs/dbraw/zinc/61/48/15/676614815.db2.gz WCQKJNROYROJNR-SNVBAGLBSA-N 1 2 337.208 2.473 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccn(CC)n3)C2)cc1 ZINC000972058920 678184735 /nfs/dbraw/zinc/18/47/35/678184735.db2.gz MUEXSKSDWZPUAA-LJQANCHMSA-N 1 2 336.439 2.231 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccn(CC)n3)C2)cc1 ZINC000972058920 678184738 /nfs/dbraw/zinc/18/47/38/678184738.db2.gz MUEXSKSDWZPUAA-LJQANCHMSA-N 1 2 336.439 2.231 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cc4n(n3)CCC4)C2)cc1 ZINC000972059614 678185411 /nfs/dbraw/zinc/18/54/11/678185411.db2.gz UULWCMXESMWIMK-HXUWFJFHSA-N 1 2 348.450 2.157 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cc4n(n3)CCC4)C2)cc1 ZINC000972059614 678185413 /nfs/dbraw/zinc/18/54/13/678185413.db2.gz UULWCMXESMWIMK-HXUWFJFHSA-N 1 2 348.450 2.157 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@H+](C)Cc2cc3n(n2)CCC3)C1 ZINC000972248180 678448264 /nfs/dbraw/zinc/44/82/64/678448264.db2.gz WXKCECNLCCHJCU-PKOBYXMFSA-N 1 2 330.476 2.464 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc3n(n2)CCC3)C1 ZINC000972248180 678448268 /nfs/dbraw/zinc/44/82/68/678448268.db2.gz WXKCECNLCCHJCU-PKOBYXMFSA-N 1 2 330.476 2.464 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nccc4ccsc43)C2)C1 ZINC000972423431 678721161 /nfs/dbraw/zinc/72/11/61/678721161.db2.gz VRVMRHMTFHEWJM-SFHVURJKSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nccc4ccsc43)C2)C1 ZINC000972423431 678721165 /nfs/dbraw/zinc/72/11/65/678721165.db2.gz VRVMRHMTFHEWJM-SFHVURJKSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)ccc3OC)C2)C1 ZINC000972456040 678781182 /nfs/dbraw/zinc/78/11/82/678781182.db2.gz QCKBFQQXQGSPFK-LJQANCHMSA-N 1 2 330.428 2.107 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)ccc3OC)C2)C1 ZINC000972456040 678781186 /nfs/dbraw/zinc/78/11/86/678781186.db2.gz QCKBFQQXQGSPFK-LJQANCHMSA-N 1 2 330.428 2.107 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4c3O[C@H](C)C4)C2)C1 ZINC000972467501 678809648 /nfs/dbraw/zinc/80/96/48/678809648.db2.gz ZCBLHCBQKOQOBG-QRWLVFNGSA-N 1 2 342.439 2.113 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4c3O[C@H](C)C4)C2)C1 ZINC000972467501 678809650 /nfs/dbraw/zinc/80/96/50/678809650.db2.gz ZCBLHCBQKOQOBG-QRWLVFNGSA-N 1 2 342.439 2.113 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)ccc3C3CC3)C2)C1 ZINC000972480935 678849370 /nfs/dbraw/zinc/84/93/70/678849370.db2.gz WHIVBQNMVGVULU-OAQYLSRUSA-N 1 2 338.451 2.423 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)ccc3C3CC3)C2)C1 ZINC000972480935 678849373 /nfs/dbraw/zinc/84/93/73/678849373.db2.gz WHIVBQNMVGVULU-OAQYLSRUSA-N 1 2 338.451 2.423 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4ncccc43)C2)C1 ZINC000972486329 678873782 /nfs/dbraw/zinc/87/37/82/678873782.db2.gz GOHORSUZDDSZHP-NRFANRHFSA-N 1 2 349.434 2.175 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4ncccc43)C2)C1 ZINC000972486329 678873785 /nfs/dbraw/zinc/87/37/85/678873785.db2.gz GOHORSUZDDSZHP-NRFANRHFSA-N 1 2 349.434 2.175 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)C[N@H+](CCC(F)(F)F)CCO2 ZINC000972499771 679082054 /nfs/dbraw/zinc/08/20/54/679082054.db2.gz XVHJKIIQWZMIBC-OAHLLOKOSA-N 1 2 334.382 2.454 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)C[N@@H+](CCC(F)(F)F)CCO2 ZINC000972499771 679082057 /nfs/dbraw/zinc/08/20/57/679082057.db2.gz XVHJKIIQWZMIBC-OAHLLOKOSA-N 1 2 334.382 2.454 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC(F)(F)C3)C2)C1 ZINC000972550554 679258244 /nfs/dbraw/zinc/25/82/44/679258244.db2.gz YHPWOXJWTCCPLR-GDBMZVCRSA-N 1 2 328.403 2.301 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC(F)(F)C3)C2)C1 ZINC000972550554 679258245 /nfs/dbraw/zinc/25/82/45/679258245.db2.gz YHPWOXJWTCCPLR-GDBMZVCRSA-N 1 2 328.403 2.301 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)C2(C)CCOCC2)C1 ZINC000972557869 679278429 /nfs/dbraw/zinc/27/84/29/679278429.db2.gz JOHVEDHCOSQROF-CYBMUJFWSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)C2(C)CCOCC2)C1 ZINC000972557869 679278430 /nfs/dbraw/zinc/27/84/30/679278430.db2.gz JOHVEDHCOSQROF-CYBMUJFWSA-N 1 2 345.281 2.244 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cscn3)C2)nc1 ZINC001023709370 679492657 /nfs/dbraw/zinc/49/26/57/679492657.db2.gz TUIGPJRKCWEEEA-OAHLLOKOSA-N 1 2 340.452 2.161 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cscn3)C2)nc1 ZINC001023709370 679492658 /nfs/dbraw/zinc/49/26/58/679492658.db2.gz TUIGPJRKCWEEEA-OAHLLOKOSA-N 1 2 340.452 2.161 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccc(C)cc3)C2)C1 ZINC000972644491 679496677 /nfs/dbraw/zinc/49/66/77/679496677.db2.gz XWVFJHHFKSJUNH-WIYYLYMNSA-N 1 2 340.467 2.425 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccc(C)cc3)C2)C1 ZINC000972644491 679496678 /nfs/dbraw/zinc/49/66/78/679496678.db2.gz XWVFJHHFKSJUNH-WIYYLYMNSA-N 1 2 340.467 2.425 20 30 EEEDLO Cc1cnoc1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000972660789 679527516 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ZINC001015205733 1224907628 /nfs/dbraw/zinc/90/76/28/1224907628.db2.gz MBBVKMXBTFXESA-JTQLQIEISA-N 1 2 349.847 2.011 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1(C)CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110896091 1206031276 /nfs/dbraw/zinc/03/12/76/1206031276.db2.gz GFYDLLZVHBXLOX-CVEARBPZSA-N 1 2 344.459 2.099 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(OC)no1 ZINC001110900862 1206091970 /nfs/dbraw/zinc/09/19/70/1206091970.db2.gz UWKSPJIMDWIZHL-OIISXLGYSA-N 1 2 345.443 2.488 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(OC)no1 ZINC001110900862 1206091972 /nfs/dbraw/zinc/09/19/72/1206091972.db2.gz UWKSPJIMDWIZHL-OIISXLGYSA-N 1 2 345.443 2.488 20 30 EEEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1 ZINC000929489446 1206480158 /nfs/dbraw/zinc/48/01/58/1206480158.db2.gz SBEBSZKJNACQRW-KRWDZBQOSA-N 1 2 347.846 2.425 20 30 EEEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1 ZINC000929489446 1206480162 /nfs/dbraw/zinc/48/01/62/1206480162.db2.gz SBEBSZKJNACQRW-KRWDZBQOSA-N 1 2 347.846 2.425 20 30 EEEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000932161357 1207550460 /nfs/dbraw/zinc/55/04/60/1207550460.db2.gz MOBRCMXUMDFFSL-GXTWGEPZSA-N 1 2 339.233 2.424 20 30 EEEDLO N#C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000932161357 1207550462 /nfs/dbraw/zinc/55/04/62/1207550462.db2.gz MOBRCMXUMDFFSL-GXTWGEPZSA-N 1 2 339.233 2.424 20 30 EEEDLO Cn1c(Cl)ncc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001015266144 1225007463 /nfs/dbraw/zinc/00/74/63/1225007463.db2.gz BPPGYSWTQVRSHR-JTQLQIEISA-N 1 2 349.847 2.011 20 30 EEEDLO Cn1c(Cl)ncc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001015266144 1225007468 /nfs/dbraw/zinc/00/74/68/1225007468.db2.gz BPPGYSWTQVRSHR-JTQLQIEISA-N 1 2 349.847 2.011 20 30 EEEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(C#N)c(F)cc1F ZINC000932209952 1207561932 /nfs/dbraw/zinc/56/19/32/1207561932.db2.gz JIHIQSHGLZJOOB-LBPRGKRZSA-N 1 2 338.358 2.069 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@]1(O)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001111111172 1208242815 /nfs/dbraw/zinc/24/28/15/1208242815.db2.gz BOJGSMWATJOMMZ-IBGZPJMESA-N 1 2 346.475 2.062 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)CCC(C)C)C2 ZINC001111159057 1208300003 /nfs/dbraw/zinc/30/00/03/1208300003.db2.gz RMIQCZKSQSCNNB-KFWWJZLASA-N 1 2 341.883 2.013 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)CCC(C)C)C2 ZINC001111159057 1208300006 /nfs/dbraw/zinc/30/00/06/1208300006.db2.gz RMIQCZKSQSCNNB-KFWWJZLASA-N 1 2 341.883 2.013 20 30 EEEDLO C=C1CC(C)(C(=O)NC2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC000947508172 1208599674 /nfs/dbraw/zinc/59/96/74/1208599674.db2.gz YXFGGQBVDWAKDH-UHFFFAOYSA-N 1 2 344.459 2.151 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cn(C)nn3)[C@H](C)C2)CC1 ZINC000947689880 1208674460 /nfs/dbraw/zinc/67/44/60/1208674460.db2.gz MZLPDBNEOIPIFG-GDBMZVCRSA-N 1 2 331.464 2.031 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(C)nn3)[C@H](C)C2)CC1 ZINC000947689880 1208674462 /nfs/dbraw/zinc/67/44/62/1208674462.db2.gz MZLPDBNEOIPIFG-GDBMZVCRSA-N 1 2 331.464 2.031 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2nc(C)c[nH]2)C[C@H]1C ZINC000947789012 1208716994 /nfs/dbraw/zinc/71/69/94/1208716994.db2.gz NSQJZVGNXSCFDA-NEPJUHHUSA-N 1 2 341.253 2.209 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2nc(C)c[nH]2)C[C@H]1C ZINC000947789012 1208716997 /nfs/dbraw/zinc/71/69/97/1208716997.db2.gz NSQJZVGNXSCFDA-NEPJUHHUSA-N 1 2 341.253 2.209 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cscn3)[C@@H](C)C2)cn1 ZINC000947949366 1208790375 /nfs/dbraw/zinc/79/03/75/1208790375.db2.gz URBPFTLCCCMOMG-XJKSGUPXSA-N 1 2 340.452 2.302 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cscn3)[C@@H](C)C2)cn1 ZINC000947949366 1208790379 /nfs/dbraw/zinc/79/03/79/1208790379.db2.gz URBPFTLCCCMOMG-XJKSGUPXSA-N 1 2 340.452 2.302 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000948204201 1208941017 /nfs/dbraw/zinc/94/10/17/1208941017.db2.gz ZIEXTLUSFOCSGI-SPYBWZPUSA-N 1 2 344.459 2.223 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000948204201 1208941019 /nfs/dbraw/zinc/94/10/19/1208941019.db2.gz ZIEXTLUSFOCSGI-SPYBWZPUSA-N 1 2 344.459 2.223 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)nc(OC)c1 ZINC000948954900 1209472815 /nfs/dbraw/zinc/47/28/15/1209472815.db2.gz OWOLXQRWLGDQBH-LJQANCHMSA-N 1 2 349.434 2.361 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)nc(OC)c1 ZINC000948954900 1209472817 /nfs/dbraw/zinc/47/28/17/1209472817.db2.gz OWOLXQRWLGDQBH-LJQANCHMSA-N 1 2 349.434 2.361 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ncccc1OC ZINC000948982871 1209488570 /nfs/dbraw/zinc/48/85/70/1209488570.db2.gz SAUIPTMDSLIRNL-SFHVURJKSA-N 1 2 349.434 2.443 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ncccc1OC ZINC000948982871 1209488573 /nfs/dbraw/zinc/48/85/73/1209488573.db2.gz SAUIPTMDSLIRNL-SFHVURJKSA-N 1 2 349.434 2.443 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC000950518689 1210259585 /nfs/dbraw/zinc/25/95/85/1210259585.db2.gz UKSBLBONAJCTGJ-UHFFFAOYSA-N 1 2 330.354 2.168 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnn3cccc(Cl)c23)C1 ZINC000950823677 1210448180 /nfs/dbraw/zinc/44/81/80/1210448180.db2.gz FIMPMMIWAIMVOT-UHFFFAOYSA-N 1 2 330.819 2.157 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC000951380166 1210777492 /nfs/dbraw/zinc/77/74/92/1210777492.db2.gz NRWILBRGKLNGHQ-AWEZNQCLSA-N 1 2 329.435 2.072 20 30 EEEDLO COC(=O)c1ccccc1-c1ccc(C=NNC2=[NH+]C[C@H](C)N2)o1 ZINC000779802577 1211012816 /nfs/dbraw/zinc/01/28/16/1211012816.db2.gz IVMVPYIWSDXSRC-NSHDSACASA-N 1 2 326.356 2.004 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N[C@H](C)c2cccs2)cc1 ZINC000194261640 1211142402 /nfs/dbraw/zinc/14/24/02/1211142402.db2.gz QFEIEHJWZKOMEW-LLVKDONJSA-N 1 2 333.413 2.271 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC000952557952 1211483897 /nfs/dbraw/zinc/48/38/97/1211483897.db2.gz NWSHSVQHCVYEDR-CVEARBPZSA-N 1 2 344.459 2.077 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC000954522102 1212336085 /nfs/dbraw/zinc/33/60/85/1212336085.db2.gz GGNGAMRMBZGOOT-UHFFFAOYSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC000954522102 1212336090 /nfs/dbraw/zinc/33/60/90/1212336090.db2.gz GGNGAMRMBZGOOT-UHFFFAOYSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(C)(C)C1 ZINC000958771604 1213807576 /nfs/dbraw/zinc/80/75/76/1213807576.db2.gz WFGMEHUBFJNZGD-ITGUQSILSA-N 1 2 327.266 2.378 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(C)(C)C1 ZINC000958771604 1213807582 /nfs/dbraw/zinc/80/75/82/1213807582.db2.gz WFGMEHUBFJNZGD-ITGUQSILSA-N 1 2 327.266 2.378 20 30 EEEDLO Cc1ncccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015632273 1225491149 /nfs/dbraw/zinc/49/11/49/1225491149.db2.gz SPVQVNHPGJGTQR-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1ncccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015632273 1225491152 /nfs/dbraw/zinc/49/11/52/1225491152.db2.gz SPVQVNHPGJGTQR-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO C#CCCCCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001114642910 1214373641 /nfs/dbraw/zinc/37/36/41/1214373641.db2.gz FTHCEDTZMDLHMK-NVXWUHKLSA-N 1 2 344.459 2.397 20 30 EEEDLO CC#CCCCC(=O)N1CCO[C@H]([C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001114645516 1214389969 /nfs/dbraw/zinc/38/99/69/1214389969.db2.gz BDXUVMYGZPBZRY-ZBFHGGJFSA-N 1 2 330.432 2.006 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H]2CN(c3cc[nH+]c(C)n3)C[C@@H]2C1 ZINC001114653297 1214399419 /nfs/dbraw/zinc/39/94/19/1214399419.db2.gz CTHUCMDHSULWGP-IXDOHACOSA-N 1 2 326.444 2.310 20 30 EEEDLO C=C1CCC(C(=O)N[C@H](C)[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000959255133 1214401092 /nfs/dbraw/zinc/40/10/92/1214401092.db2.gz USMUNYOTCNNICK-GDBMZVCRSA-N 1 2 344.459 2.052 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)c(C)s3)C2)c1 ZINC001015678145 1225540538 /nfs/dbraw/zinc/54/05/38/1225540538.db2.gz CDJQXNAIXAUGGF-INIZCTEOSA-N 1 2 340.452 2.141 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)c(C)s3)C2)c1 ZINC001015678145 1225540545 /nfs/dbraw/zinc/54/05/45/1225540545.db2.gz CDJQXNAIXAUGGF-INIZCTEOSA-N 1 2 340.452 2.141 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3nnc(C)o3)C[C@H]21 ZINC001114689917 1214962239 /nfs/dbraw/zinc/96/22/39/1214962239.db2.gz SAONBNAIDUMVSI-UTXMOHQDSA-N 1 2 330.432 2.069 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3nnc(C)o3)C[C@H]21 ZINC001114689917 1214962243 /nfs/dbraw/zinc/96/22/43/1214962243.db2.gz SAONBNAIDUMVSI-UTXMOHQDSA-N 1 2 330.432 2.069 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](C[C@H](OC)c3ccccc3)CC2)nc1 ZINC000957378933 1215088354 /nfs/dbraw/zinc/08/83/54/1215088354.db2.gz PRZQIAHJVDVXSY-FQEVSTJZSA-N 1 2 349.434 2.208 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC000957430154 1215120776 /nfs/dbraw/zinc/12/07/76/1215120776.db2.gz WLKYUAVSSUEKQR-UHFFFAOYSA-N 1 2 325.416 2.194 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1C[C@@]2(C)CN(c3cc[nH+]c(C)n3)C[C@@]2(C)C1 ZINC001114728590 1215134302 /nfs/dbraw/zinc/13/43/02/1215134302.db2.gz MORJJTBSLQPQHM-ZMYBRWDISA-N 1 2 344.459 2.051 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csnc3OC)C[C@H]21 ZINC001114728441 1215134341 /nfs/dbraw/zinc/13/43/41/1215134341.db2.gz GLSNMZPIAFJRRV-UYHMYPTGSA-N 1 2 335.473 2.300 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csnc3OC)C[C@H]21 ZINC001114728441 1215134344 /nfs/dbraw/zinc/13/43/44/1215134344.db2.gz GLSNMZPIAFJRRV-UYHMYPTGSA-N 1 2 335.473 2.300 20 30 EEEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(CC)c(Cl)c2)CC1 ZINC000796135921 1215318702 /nfs/dbraw/zinc/31/87/02/1215318702.db2.gz PXVVNUQLOLTLJL-AWEZNQCLSA-N 1 2 333.863 2.162 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)O1 ZINC001015731213 1225604468 /nfs/dbraw/zinc/60/44/68/1225604468.db2.gz ILASURDZOIVBJN-ZTFGCOKTSA-N 1 2 346.858 2.450 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)O1 ZINC001015731213 1225604470 /nfs/dbraw/zinc/60/44/70/1225604470.db2.gz ILASURDZOIVBJN-ZTFGCOKTSA-N 1 2 346.858 2.450 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(F)cc1 ZINC000958073384 1215552218 /nfs/dbraw/zinc/55/22/18/1215552218.db2.gz SPEDHYRYTLDTCO-WDNDVIMCSA-N 1 2 339.208 2.394 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(F)cc1 ZINC000958073384 1215552220 /nfs/dbraw/zinc/55/22/20/1215552220.db2.gz SPEDHYRYTLDTCO-WDNDVIMCSA-N 1 2 339.208 2.394 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(F)(F)C1 ZINC000958512433 1215752937 /nfs/dbraw/zinc/75/29/37/1215752937.db2.gz RJKZJIPHZCKWJX-ZSHCYNCHSA-N 1 2 349.356 2.289 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(F)(F)C1 ZINC000958512433 1215752941 /nfs/dbraw/zinc/75/29/41/1215752941.db2.gz RJKZJIPHZCKWJX-ZSHCYNCHSA-N 1 2 349.356 2.289 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC000960504458 1216636328 /nfs/dbraw/zinc/63/63/28/1216636328.db2.gz VCFGQYUGQQWDHW-ZIAGYGMSSA-N 1 2 330.432 2.136 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC000960504458 1216636330 /nfs/dbraw/zinc/63/63/30/1216636330.db2.gz VCFGQYUGQQWDHW-ZIAGYGMSSA-N 1 2 330.432 2.136 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2ncccn2)cc1 ZINC000960781358 1216890249 /nfs/dbraw/zinc/89/02/49/1216890249.db2.gz CUGTUBBLIRWSJV-GOSISDBHSA-N 1 2 334.423 2.195 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ncccn2)cc1 ZINC000960781358 1216890252 /nfs/dbraw/zinc/89/02/52/1216890252.db2.gz CUGTUBBLIRWSJV-GOSISDBHSA-N 1 2 334.423 2.195 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2cnnn2CC)CC1 ZINC000960831623 1216931490 /nfs/dbraw/zinc/93/14/90/1216931490.db2.gz LWRRDDMEDXPJGI-KRWDZBQOSA-N 1 2 345.491 2.467 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2cnnn2CC)CC1 ZINC000960831623 1216931493 /nfs/dbraw/zinc/93/14/93/1216931493.db2.gz LWRRDDMEDXPJGI-KRWDZBQOSA-N 1 2 345.491 2.467 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2cscn2)c1 ZINC000960849852 1216942140 /nfs/dbraw/zinc/94/21/40/1216942140.db2.gz BDKQMEBISNCAHL-KRWDZBQOSA-N 1 2 340.452 2.256 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2cscn2)c1 ZINC000960849852 1216942143 /nfs/dbraw/zinc/94/21/43/1216942143.db2.gz BDKQMEBISNCAHL-KRWDZBQOSA-N 1 2 340.452 2.256 20 30 EEEDLO N#CCN1CC[C@@H]([C@@H]2CCCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC000961212537 1217091668 /nfs/dbraw/zinc/09/16/68/1217091668.db2.gz PCKHQFNPOICQBN-HZPDHXFCSA-N 1 2 337.427 2.032 20 30 EEEDLO N#CCN1CC[C@H]([C@H]2CCCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC000961212532 1217092018 /nfs/dbraw/zinc/09/20/18/1217092018.db2.gz PCKHQFNPOICQBN-HOTGVXAUSA-N 1 2 337.427 2.032 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC12CCC2 ZINC000961901032 1217389183 /nfs/dbraw/zinc/38/91/83/1217389183.db2.gz AEHUKYRGRWPNGX-XDNAFOTISA-N 1 2 339.414 2.434 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC12CCC2 ZINC000961901032 1217389188 /nfs/dbraw/zinc/38/91/88/1217389188.db2.gz AEHUKYRGRWPNGX-XDNAFOTISA-N 1 2 339.414 2.434 20 30 EEEDLO CC(C)c1nnc(C[N@H+](C)C[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)s1 ZINC001017071718 1218460683 /nfs/dbraw/zinc/46/06/83/1218460683.db2.gz OXYFSIVUNLLGDF-KBPBESRZSA-N 1 2 349.504 2.492 20 30 EEEDLO CC(C)c1nnc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)s1 ZINC001017071718 1218460688 /nfs/dbraw/zinc/46/06/88/1218460688.db2.gz OXYFSIVUNLLGDF-KBPBESRZSA-N 1 2 349.504 2.492 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(C[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000964967154 1218766511 /nfs/dbraw/zinc/76/65/11/1218766511.db2.gz ARYPBCPRRCPIBI-KSSFIOAISA-N 1 2 344.459 2.052 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C)on1 ZINC000964999329 1218793048 /nfs/dbraw/zinc/79/30/48/1218793048.db2.gz MPKBKLCQKKZXFT-SUMWQHHRSA-N 1 2 338.411 2.495 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)CC[C@@H]2C)on1 ZINC000964999329 1218793052 /nfs/dbraw/zinc/79/30/52/1218793052.db2.gz MPKBKLCQKKZXFT-SUMWQHHRSA-N 1 2 338.411 2.495 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1NC(=O)c1ccon1 ZINC000965290432 1219009064 /nfs/dbraw/zinc/00/90/64/1219009064.db2.gz IVBVOQMQZZKKRQ-PXAZEXFGSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1NC(=O)c1ccon1 ZINC000965290432 1219009068 /nfs/dbraw/zinc/00/90/68/1219009068.db2.gz IVBVOQMQZZKKRQ-PXAZEXFGSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1cn[nH]c1 ZINC000965373606 1219043795 /nfs/dbraw/zinc/04/37/95/1219043795.db2.gz QLQOSDHGBJWTEY-YVEFUNNKSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1cn[nH]c1 ZINC000965373606 1219043799 /nfs/dbraw/zinc/04/37/99/1219043799.db2.gz QLQOSDHGBJWTEY-YVEFUNNKSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000965850973 1219290619 /nfs/dbraw/zinc/29/06/19/1219290619.db2.gz HKWCEUWUECWTNZ-KUHUBIRLSA-N 1 2 347.422 2.398 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000965850973 1219290624 /nfs/dbraw/zinc/29/06/24/1219290624.db2.gz HKWCEUWUECWTNZ-KUHUBIRLSA-N 1 2 347.422 2.398 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)oc1C ZINC000965917613 1219356302 /nfs/dbraw/zinc/35/63/02/1219356302.db2.gz XXHAICTWIVCMGV-BDJLRTHQSA-N 1 2 341.415 2.132 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)oc1C ZINC000965917613 1219356306 /nfs/dbraw/zinc/35/63/06/1219356306.db2.gz XXHAICTWIVCMGV-BDJLRTHQSA-N 1 2 341.415 2.132 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1ncc[nH]1 ZINC000966000769 1219435558 /nfs/dbraw/zinc/43/55/58/1219435558.db2.gz RRWGDCJMUXBGTJ-BLLLJJGKSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1ncc[nH]1 ZINC000966000769 1219435562 /nfs/dbraw/zinc/43/55/62/1219435562.db2.gz RRWGDCJMUXBGTJ-BLLLJJGKSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)c1ncc[nH]1 ZINC000966000868 1219436429 /nfs/dbraw/zinc/43/64/29/1219436429.db2.gz TUZIBPGMJHRRCW-LRDDRELGSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)c1ncc[nH]1 ZINC000966000868 1219436431 /nfs/dbraw/zinc/43/64/31/1219436431.db2.gz TUZIBPGMJHRRCW-LRDDRELGSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1ncc[nH]1 ZINC000966010445 1219443703 /nfs/dbraw/zinc/44/37/03/1219443703.db2.gz IZWSVUDNCOVUDH-WMLDXEAASA-N 1 2 340.402 2.041 20 30 EEEDLO C[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1ncc[nH]1 ZINC000966010445 1219443707 /nfs/dbraw/zinc/44/37/07/1219443707.db2.gz IZWSVUDNCOVUDH-WMLDXEAASA-N 1 2 340.402 2.041 20 30 EEEDLO C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c[nH]cc3ncnc2-3)C1 ZINC000966240510 1219616070 /nfs/dbraw/zinc/61/60/70/1219616070.db2.gz YPFPMRJNKABMFZ-CJNGLKHVSA-N 1 2 327.432 2.364 20 30 EEEDLO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c[nH]cc3ncnc2-3)C1 ZINC000966240510 1219616074 /nfs/dbraw/zinc/61/60/74/1219616074.db2.gz YPFPMRJNKABMFZ-CJNGLKHVSA-N 1 2 327.432 2.364 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3nnc(C)n3c2)C1 ZINC000967089187 1220264600 /nfs/dbraw/zinc/26/46/00/1220264600.db2.gz QQGRCFOCIWYQQN-NHYWBVRUSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3nnc(C)n3c2)C1 ZINC000967089187 1220264605 /nfs/dbraw/zinc/26/46/05/1220264605.db2.gz QQGRCFOCIWYQQN-NHYWBVRUSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC000968655044 1221467515 /nfs/dbraw/zinc/46/75/15/1221467515.db2.gz JXGSPVLRZKTKLP-BDJLRTHQSA-N 1 2 349.862 2.469 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC000968655044 1221467517 /nfs/dbraw/zinc/46/75/17/1221467517.db2.gz JXGSPVLRZKTKLP-BDJLRTHQSA-N 1 2 349.862 2.469 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCCCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)o1 ZINC000968816193 1221595005 /nfs/dbraw/zinc/59/50/05/1221595005.db2.gz PAXWBHPHMSHANW-INIZCTEOSA-N 1 2 341.415 2.357 20 30 EEEDLO Cc1cnc(C[N@H+]2CCCCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)o1 ZINC000968816193 1221595008 /nfs/dbraw/zinc/59/50/08/1221595008.db2.gz PAXWBHPHMSHANW-INIZCTEOSA-N 1 2 341.415 2.357 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)[nH]n1 ZINC001006848925 1221978215 /nfs/dbraw/zinc/97/82/15/1221978215.db2.gz ZXBJHLQWQOKPBD-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)[nH]n1 ZINC001006848925 1221978218 /nfs/dbraw/zinc/97/82/18/1221978218.db2.gz ZXBJHLQWQOKPBD-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)Cc3ccon3)C2)ccc1F ZINC001006960862 1222037457 /nfs/dbraw/zinc/03/74/57/1222037457.db2.gz YGQZABIDMFRERV-INIZCTEOSA-N 1 2 342.374 2.009 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)Cc3ccon3)C2)ccc1F ZINC001006960862 1222037463 /nfs/dbraw/zinc/03/74/63/1222037463.db2.gz YGQZABIDMFRERV-INIZCTEOSA-N 1 2 342.374 2.009 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c(C)s1 ZINC001007031843 1222068196 /nfs/dbraw/zinc/06/81/96/1222068196.db2.gz YMTMHCYYEFEIOF-AWEZNQCLSA-N 1 2 343.456 2.354 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c(C)s1 ZINC001007031843 1222068199 /nfs/dbraw/zinc/06/81/99/1222068199.db2.gz YMTMHCYYEFEIOF-AWEZNQCLSA-N 1 2 343.456 2.354 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)c3nccs3)C2)c1 ZINC001008969548 1223098566 /nfs/dbraw/zinc/09/85/66/1223098566.db2.gz XIMZTOFZWSDBDU-OAHLLOKOSA-N 1 2 326.425 2.409 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3nccs3)C2)c1 ZINC001008969548 1223098568 /nfs/dbraw/zinc/09/85/68/1223098568.db2.gz XIMZTOFZWSDBDU-OAHLLOKOSA-N 1 2 326.425 2.409 20 30 EEEDLO Cc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001010223562 1223613841 /nfs/dbraw/zinc/61/38/41/1223613841.db2.gz DTFCBWDJQOYONQ-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001010223562 1223613842 /nfs/dbraw/zinc/61/38/42/1223613842.db2.gz DTFCBWDJQOYONQ-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1ncsc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010321643 1223660876 /nfs/dbraw/zinc/66/08/76/1223660876.db2.gz OVUXYVIAFVLPMO-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1ncsc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010321643 1223660879 /nfs/dbraw/zinc/66/08/79/1223660879.db2.gz OVUXYVIAFVLPMO-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CCCCO1 ZINC001010629560 1223820945 /nfs/dbraw/zinc/82/09/45/1223820945.db2.gz MQFIYNPJHHMOHG-QZTJIDSGSA-N 1 2 346.858 2.451 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CCCCO1 ZINC001010629560 1223820949 /nfs/dbraw/zinc/82/09/49/1223820949.db2.gz MQFIYNPJHHMOHG-QZTJIDSGSA-N 1 2 346.858 2.451 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(F)cn3)C2)cc1F ZINC001010716740 1223867224 /nfs/dbraw/zinc/86/72/24/1223867224.db2.gz IXPHILLZFNVLKQ-OAHLLOKOSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(F)cn3)C2)cc1F ZINC001010716740 1223867228 /nfs/dbraw/zinc/86/72/28/1223867228.db2.gz IXPHILLZFNVLKQ-OAHLLOKOSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)[C@H]3C[C@@H]3C(F)F)C2)c1 ZINC001010844190 1223935021 /nfs/dbraw/zinc/93/50/21/1223935021.db2.gz YPMGBFAFJDHFHD-RDBSUJKOSA-N 1 2 337.345 2.289 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3C[C@@H]3C(F)F)C2)c1 ZINC001010844190 1223935023 /nfs/dbraw/zinc/93/50/23/1223935023.db2.gz YPMGBFAFJDHFHD-RDBSUJKOSA-N 1 2 337.345 2.289 20 30 EEEDLO Cc1cnccc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001014382903 1226550139 /nfs/dbraw/zinc/55/01/39/1226550139.db2.gz WNAJOBKSJCMBNT-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cnccc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001014382903 1226550144 /nfs/dbraw/zinc/55/01/44/1226550144.db2.gz WNAJOBKSJCMBNT-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Oc1ccccc1F ZINC001017578227 1227540672 /nfs/dbraw/zinc/54/06/72/1227540672.db2.gz OLOICUREXYSXDQ-HRCADAONSA-N 1 2 330.403 2.292 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Oc1ccccc1F ZINC001017578227 1227540677 /nfs/dbraw/zinc/54/06/77/1227540677.db2.gz OLOICUREXYSXDQ-HRCADAONSA-N 1 2 330.403 2.292 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1scnc1C ZINC001038266714 1229712012 /nfs/dbraw/zinc/71/20/12/1229712012.db2.gz NFCZXPOSZBOLBZ-KFWWJZLASA-N 1 2 335.473 2.123 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1scnc1C ZINC001038266714 1229712015 /nfs/dbraw/zinc/71/20/15/1229712015.db2.gz NFCZXPOSZBOLBZ-KFWWJZLASA-N 1 2 335.473 2.123 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)c1nccc2[nH]ccc21 ZINC001038717083 1229994210 /nfs/dbraw/zinc/99/42/10/1229994210.db2.gz QRCZKHYMDTXLAQ-KRWDZBQOSA-N 1 2 344.418 2.419 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)c1nccc2[nH]ccc21 ZINC001038717083 1229994212 /nfs/dbraw/zinc/99/42/12/1229994212.db2.gz QRCZKHYMDTXLAQ-KRWDZBQOSA-N 1 2 344.418 2.419 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)C2CCC(C)(C)CC2)C1=O ZINC001039059826 1230272165 /nfs/dbraw/zinc/27/21/65/1230272165.db2.gz GRWLREKGOLTFTH-IRXDYDNUSA-N 1 2 347.503 2.180 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)C2CCC(C)(C)CC2)C1=O ZINC001039059826 1230272166 /nfs/dbraw/zinc/27/21/66/1230272166.db2.gz GRWLREKGOLTFTH-IRXDYDNUSA-N 1 2 347.503 2.180 20 30 EEEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1scnc1C(F)F ZINC001039403931 1230586137 /nfs/dbraw/zinc/58/61/37/1230586137.db2.gz XMSXZZCHABECAK-MNOVXSKESA-N 1 2 325.384 2.393 20 30 EEEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1scnc1C(F)F ZINC001039403931 1230586140 /nfs/dbraw/zinc/58/61/40/1230586140.db2.gz XMSXZZCHABECAK-MNOVXSKESA-N 1 2 325.384 2.393 20 30 EEEDLO Cc1nc(NC[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC[C@@H]2C)cc[nH+]1 ZINC001039854525 1230859644 /nfs/dbraw/zinc/85/96/44/1230859644.db2.gz HMFDGVSOROCKII-WFASDCNBSA-N 1 2 338.415 2.195 20 30 EEEDLO Cc1nnc(C[N@@H+]2CCC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)s1 ZINC001040197124 1231094324 /nfs/dbraw/zinc/09/43/24/1231094324.db2.gz KSBXDFJZLVSCCX-SFHVURJKSA-N 1 2 344.484 2.074 20 30 EEEDLO Cc1nnc(C[N@H+]2CCC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)s1 ZINC001040197124 1231094329 /nfs/dbraw/zinc/09/43/29/1231094329.db2.gz KSBXDFJZLVSCCX-SFHVURJKSA-N 1 2 344.484 2.074 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001040680072 1231335357 /nfs/dbraw/zinc/33/53/57/1231335357.db2.gz IXETVNVEICKWKX-RBUKOAKNSA-N 1 2 346.434 2.046 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ncnn3CC)C2)C1 ZINC001041537567 1231586951 /nfs/dbraw/zinc/58/69/51/1231586951.db2.gz ZBLWENVDFAZXHQ-LJQANCHMSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ncnn3CC)C2)C1 ZINC001041537567 1231586952 /nfs/dbraw/zinc/58/69/52/1231586952.db2.gz ZBLWENVDFAZXHQ-LJQANCHMSA-N 1 2 345.491 2.325 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@H+](Cc4nccs4)[C@H]3C2)c1 ZINC001041999164 1231819180 /nfs/dbraw/zinc/81/91/80/1231819180.db2.gz DQTKUQIGFLLUNB-HIFRSBDPSA-N 1 2 341.440 2.079 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nccs4)[C@H]3C2)c1 ZINC001041999164 1231819182 /nfs/dbraw/zinc/81/91/82/1231819182.db2.gz DQTKUQIGFLLUNB-HIFRSBDPSA-N 1 2 341.440 2.079 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CC[C@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)n1 ZINC001042057050 1231859021 /nfs/dbraw/zinc/85/90/21/1231859021.db2.gz FLWAYVUGBMYSMS-HKUYNNGSSA-N 1 2 340.471 2.300 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2CC[C@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)n1 ZINC001042057050 1231859023 /nfs/dbraw/zinc/85/90/23/1231859023.db2.gz FLWAYVUGBMYSMS-HKUYNNGSSA-N 1 2 340.471 2.300 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3nc(C)no3)[C@@H]2C1 ZINC001042183260 1231942413 /nfs/dbraw/zinc/94/24/13/1231942413.db2.gz INIPEUCLFHJQCL-LSDHHAIUSA-N 1 2 332.448 2.403 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3nc(C)no3)[C@@H]2C1 ZINC001042183260 1231942415 /nfs/dbraw/zinc/94/24/15/1231942415.db2.gz INIPEUCLFHJQCL-LSDHHAIUSA-N 1 2 332.448 2.403 20 30 EEEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](Cc2cccc3cccnc32)C1 ZINC001042626014 1232124223 /nfs/dbraw/zinc/12/42/23/1232124223.db2.gz VQTFVXWPYQPPQN-UHFFFAOYSA-N 1 2 345.406 2.391 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](C[C@H](O)Cc3ccc(F)cc3)C2)C1 ZINC001043816057 1232590081 /nfs/dbraw/zinc/59/00/81/1232590081.db2.gz XAUZXYDJAXNISQ-GOSISDBHSA-N 1 2 346.446 2.228 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001054846281 1249216612 /nfs/dbraw/zinc/21/66/12/1249216612.db2.gz OKCHWCDYEXSRSW-WKILWMFISA-N 1 2 346.475 2.266 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[NH2+]Cc2nc(C(F)F)no2)C1 ZINC001045191383 1233569040 /nfs/dbraw/zinc/56/90/40/1233569040.db2.gz WFIGERFTGXYDKP-NSHDSACASA-N 1 2 340.374 2.444 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2cc(C)on2)CC1 ZINC001045354419 1233684157 /nfs/dbraw/zinc/68/41/57/1233684157.db2.gz ULEFFYDUANIYRJ-UHFFFAOYSA-N 1 2 342.237 2.476 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2cc(C)n[nH]2)CC1 ZINC001045371020 1233700348 /nfs/dbraw/zinc/70/03/48/1233700348.db2.gz AHAYTLUXFQKWKG-UHFFFAOYSA-N 1 2 341.253 2.211 20 30 EEEDLO C[C@H](c1ncccn1)[NH+]1CCC(C)(NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001045411380 1233728768 /nfs/dbraw/zinc/72/87/68/1233728768.db2.gz CMBFOGKWHCZXGH-CYBMUJFWSA-N 1 2 338.415 2.022 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CCCN(c3cc[nH+]c(C)n3)CC2)cn1 ZINC001067600768 1249301004 /nfs/dbraw/zinc/30/10/04/1249301004.db2.gz SIYUYRKFGGLOJT-GOSISDBHSA-N 1 2 349.438 2.292 20 30 EEEDLO O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(O)Cc1ccc(F)cc1 ZINC000900096084 1234010404 /nfs/dbraw/zinc/01/04/04/1234010404.db2.gz QNWMKPVLDCUSKU-GOSISDBHSA-N 1 2 344.386 2.445 20 30 EEEDLO O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(O)Cc1ccc(F)cc1 ZINC000900096084 1234010408 /nfs/dbraw/zinc/01/04/08/1234010408.db2.gz QNWMKPVLDCUSKU-GOSISDBHSA-N 1 2 344.386 2.445 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@@]2(CC[N@@H+](Cc3nncn3C)C2)C1 ZINC001045956623 1234227267 /nfs/dbraw/zinc/22/72/67/1234227267.db2.gz RARICVHOMLMQTJ-IBGZPJMESA-N 1 2 345.491 2.232 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@@]2(CC[N@H+](Cc3nncn3C)C2)C1 ZINC001045956623 1234227268 /nfs/dbraw/zinc/22/72/68/1234227268.db2.gz RARICVHOMLMQTJ-IBGZPJMESA-N 1 2 345.491 2.232 20 30 EEEDLO N#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001045966370 1234245627 /nfs/dbraw/zinc/24/56/27/1234245627.db2.gz UYCNZIUYROLDRU-HNAYVOBHSA-N 1 2 341.459 2.058 20 30 EEEDLO COc1ncc(Br)cc1C[NH2+]Cc1ccc(C#N)cn1 ZINC001413160612 1234401268 /nfs/dbraw/zinc/40/12/68/1234401268.db2.gz XUZSTRDGNCJULB-UHFFFAOYSA-N 1 2 333.189 2.409 20 30 EEEDLO C[C@]1(NC(=O)[C@@H]2CCCOC2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046188379 1234529708 /nfs/dbraw/zinc/52/97/08/1234529708.db2.gz DNIBMINEKFVNHR-BEFAXECRSA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@]1(NC(=O)[C@@H]2CCCOC2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046188379 1234529712 /nfs/dbraw/zinc/52/97/12/1234529712.db2.gz DNIBMINEKFVNHR-BEFAXECRSA-N 1 2 345.418 2.205 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001046224900 1234571412 /nfs/dbraw/zinc/57/14/12/1234571412.db2.gz WGKMINSYXZNADD-PXAZEXFGSA-N 1 2 327.388 2.138 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001046224900 1234571415 /nfs/dbraw/zinc/57/14/15/1234571415.db2.gz WGKMINSYXZNADD-PXAZEXFGSA-N 1 2 327.388 2.138 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(Br)n[nH]2)C1 ZINC001046356493 1234701394 /nfs/dbraw/zinc/70/13/94/1234701394.db2.gz VNHAGSAFMLBGLO-LBPRGKRZSA-N 1 2 347.644 2.119 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(Br)n[nH]2)C1 ZINC001046356493 1234701397 /nfs/dbraw/zinc/70/13/97/1234701397.db2.gz VNHAGSAFMLBGLO-LBPRGKRZSA-N 1 2 347.644 2.119 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001046419230 1234781901 /nfs/dbraw/zinc/78/19/01/1234781901.db2.gz VAOHRMOQFHVSOZ-WMLDXEAASA-N 1 2 336.867 2.087 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001046419230 1234781906 /nfs/dbraw/zinc/78/19/06/1234781906.db2.gz VAOHRMOQFHVSOZ-WMLDXEAASA-N 1 2 336.867 2.087 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001046478720 1234849214 /nfs/dbraw/zinc/84/92/14/1234849214.db2.gz AYDWBLBLHBEFRN-ZMSDIMECSA-N 1 2 326.868 2.382 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001046478720 1234849219 /nfs/dbraw/zinc/84/92/19/1234849219.db2.gz AYDWBLBLHBEFRN-ZMSDIMECSA-N 1 2 326.868 2.382 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001046501321 1234876464 /nfs/dbraw/zinc/87/64/64/1234876464.db2.gz NZUDBZMSEYIBQV-VNHYZAJKSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001046501321 1234876469 /nfs/dbraw/zinc/87/64/69/1234876469.db2.gz NZUDBZMSEYIBQV-VNHYZAJKSA-N 1 2 345.281 2.291 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cc(C)n(C)n3)C2)cc1 ZINC001046530504 1234912117 /nfs/dbraw/zinc/91/21/17/1234912117.db2.gz HWLVXPDSQBRDBM-FQEVSTJZSA-N 1 2 336.439 2.104 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](Cc3cc(C)n(C)n3)C2)cc1 ZINC001046530504 1234912119 /nfs/dbraw/zinc/91/21/19/1234912119.db2.gz HWLVXPDSQBRDBM-FQEVSTJZSA-N 1 2 336.439 2.104 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3nccn3CC)C2)cc1 ZINC001046531086 1234912603 /nfs/dbraw/zinc/91/26/03/1234912603.db2.gz NQUPASZVSWYQFL-FQEVSTJZSA-N 1 2 336.439 2.279 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](Cc3nccn3CC)C2)cc1 ZINC001046531086 1234912607 /nfs/dbraw/zinc/91/26/07/1234912607.db2.gz NQUPASZVSWYQFL-FQEVSTJZSA-N 1 2 336.439 2.279 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2COc3ccccc3O2)C1 ZINC001046810838 1235208585 /nfs/dbraw/zinc/20/85/85/1235208585.db2.gz 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C=C(C)C[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001067853151 1239363090 /nfs/dbraw/zinc/36/30/90/1239363090.db2.gz IROBURDMCNJDQX-MRXNPFEDSA-N 1 2 334.464 2.182 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001056433978 1239374895 /nfs/dbraw/zinc/37/48/95/1239374895.db2.gz WXGRTJCZXLLRCB-SJORKVTESA-N 1 2 344.459 2.209 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001056455716 1239389386 /nfs/dbraw/zinc/38/93/86/1239389386.db2.gz HDUJUUNLXAFVRI-TXCZRRACSA-N 1 2 342.443 2.071 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001056455716 1239389388 /nfs/dbraw/zinc/38/93/88/1239389388.db2.gz HDUJUUNLXAFVRI-TXCZRRACSA-N 1 2 342.443 2.071 20 30 EEEDLO C[C@@H](CC(=O)N[C@H]1CCN(c2cccc(F)c2C#N)C1)n1cc[nH+]c1 ZINC001096487809 1240102319 /nfs/dbraw/zinc/10/23/19/1240102319.db2.gz CJMITCIURWZUFD-KBPBESRZSA-N 1 2 341.390 2.240 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC12CCN(c1cc[nH+]c(C)n1)CC2 ZINC001096514030 1240720325 /nfs/dbraw/zinc/72/03/25/1240720325.db2.gz WSACBDDSMMZCQW-ZBFHGGJFSA-N 1 2 344.459 2.241 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2nccs2)c1 ZINC001049400652 1240792067 /nfs/dbraw/zinc/79/20/67/1240792067.db2.gz IMBXAUGYSHSNCO-CABCVRRESA-N 1 2 341.440 2.222 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3Cc2nccs2)c1 ZINC001049400652 1240792073 /nfs/dbraw/zinc/79/20/73/1240792073.db2.gz IMBXAUGYSHSNCO-CABCVRRESA-N 1 2 341.440 2.222 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cn3c(n2)CCCC3)CC1 ZINC001000750381 1240861515 /nfs/dbraw/zinc/86/15/15/1240861515.db2.gz XAXLMXWUQWPIGN-UHFFFAOYSA-N 1 2 334.851 2.334 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cn3c(n2)CCCC3)CC1 ZINC001000750381 1240861521 /nfs/dbraw/zinc/86/15/21/1240861521.db2.gz XAXLMXWUQWPIGN-UHFFFAOYSA-N 1 2 334.851 2.334 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cn(CC)nn1 ZINC001049633710 1241716313 /nfs/dbraw/zinc/71/63/13/1241716313.db2.gz LLJZGNKRDPGTGG-DLBZAZTESA-N 1 2 345.491 2.466 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cn(CC)nn1 ZINC001049633710 1241716320 /nfs/dbraw/zinc/71/63/20/1241716320.db2.gz LLJZGNKRDPGTGG-DLBZAZTESA-N 1 2 345.491 2.466 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cnn(C)c2C2CC2)CC1 ZINC001001492793 1242379272 /nfs/dbraw/zinc/37/92/72/1242379272.db2.gz GMPHIRPDWDJZPB-UHFFFAOYSA-N 1 2 334.851 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cnn(C)c2C2CC2)CC1 ZINC001001492793 1242379281 /nfs/dbraw/zinc/37/92/81/1242379281.db2.gz GMPHIRPDWDJZPB-UHFFFAOYSA-N 1 2 334.851 2.412 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001073443028 1242489137 /nfs/dbraw/zinc/48/91/37/1242489137.db2.gz YVWICBUCAJFEPR-INIZCTEOSA-N 1 2 346.475 2.360 20 30 EEEDLO N#Cc1ccc(N[C@@H]2CCCCCN(C(=O)Cn3cc[nH+]c3)C2)nc1 ZINC001049916343 1242698171 /nfs/dbraw/zinc/69/81/71/1242698171.db2.gz XNBKLIVEMFDOHC-MRXNPFEDSA-N 1 2 338.415 2.033 20 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ZINC001050531505 1243793867 /nfs/dbraw/zinc/79/38/67/1243793867.db2.gz JWDINNCNKCLIMG-UHFFFAOYSA-N 1 2 338.839 2.273 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097331919 1244007678 /nfs/dbraw/zinc/00/76/78/1244007678.db2.gz NOBDJCMGPVCEHX-APWZRJJASA-N 1 2 346.475 2.346 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1CCCCN1c1[nH+]cnc2c1cnn2C ZINC001097449807 1244169361 /nfs/dbraw/zinc/16/93/61/1244169361.db2.gz KAANXQDYAVCDMH-CYBMUJFWSA-N 1 2 342.447 2.051 20 30 EEEDLO C=CCCC(=O)N[C@H](C)[C@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001097525601 1244309896 /nfs/dbraw/zinc/30/98/96/1244309896.db2.gz WPZQBVORUGINDL-KGLIPLIRSA-N 1 2 342.447 2.051 20 30 EEEDLO C=CCCOCC(=O)N[C@@H](C)[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097531833 1244318144 /nfs/dbraw/zinc/31/81/44/1244318144.db2.gz JYLGYDHSEQFNHF-GOEBONIOSA-N 1 2 332.448 2.099 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(Cl)n1C)C2 ZINC001097545015 1244341259 /nfs/dbraw/zinc/34/12/59/1244341259.db2.gz LFDFPVVWYSBQJT-MXWKQRLJSA-N 1 2 329.231 2.161 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(Cl)n1C)C2 ZINC001097545015 1244341264 /nfs/dbraw/zinc/34/12/64/1244341264.db2.gz LFDFPVVWYSBQJT-MXWKQRLJSA-N 1 2 329.231 2.161 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@H]2COCC[N@@H+]2CCCC2CCCC2)c[nH]1 ZINC001050880377 1244541162 /nfs/dbraw/zinc/54/11/62/1244541162.db2.gz PILFAEIMYIDTRX-SFHVURJKSA-N 1 2 344.459 2.287 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@H]2COCC[N@H+]2CCCC2CCCC2)c[nH]1 ZINC001050880377 1244541166 /nfs/dbraw/zinc/54/11/66/1244541166.db2.gz PILFAEIMYIDTRX-SFHVURJKSA-N 1 2 344.459 2.287 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnn1[C@H](C)CC ZINC001050939801 1244670983 /nfs/dbraw/zinc/67/09/83/1244670983.db2.gz KBBDFLLCHAVFMH-CVEARBPZSA-N 1 2 334.464 2.251 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnn1[C@H](C)CC ZINC001050939801 1244670996 /nfs/dbraw/zinc/67/09/96/1244670996.db2.gz KBBDFLLCHAVFMH-CVEARBPZSA-N 1 2 334.464 2.251 20 30 EEEDLO N#Cc1c(F)cccc1N[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001057683054 1244693368 /nfs/dbraw/zinc/69/33/68/1244693368.db2.gz ACKPFRQGHBOSPG-GFCCVEGCSA-N 1 2 327.363 2.066 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C(C)C)nn1CC ZINC001051005733 1244829858 /nfs/dbraw/zinc/82/98/58/1244829858.db2.gz DSBVQKJHDZARHV-HNNXBMFYSA-N 1 2 334.464 2.033 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C(C)C)nn1CC ZINC001051005733 1244829863 /nfs/dbraw/zinc/82/98/63/1244829863.db2.gz DSBVQKJHDZARHV-HNNXBMFYSA-N 1 2 334.464 2.033 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(OC)ccc1OC ZINC001051238088 1245426180 /nfs/dbraw/zinc/42/61/80/1245426180.db2.gz CTVPMXUPZGPDFR-OAHLLOKOSA-N 1 2 348.443 2.101 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(OC)ccc1OC ZINC001051238088 1245426185 /nfs/dbraw/zinc/42/61/85/1245426185.db2.gz CTVPMXUPZGPDFR-OAHLLOKOSA-N 1 2 348.443 2.101 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001051270480 1245461577 /nfs/dbraw/zinc/46/15/77/1245461577.db2.gz PIAIBANEJDXJFB-MSOLQXFVSA-N 1 2 344.455 2.082 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001051270480 1245461580 /nfs/dbraw/zinc/46/15/80/1245461580.db2.gz PIAIBANEJDXJFB-MSOLQXFVSA-N 1 2 344.455 2.082 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C)o3)C[C@@]2(C)C1 ZINC001101336929 1245680339 /nfs/dbraw/zinc/68/03/39/1245680339.db2.gz VYNPCRYHTJQFDC-SIIHOXLZSA-N 1 2 332.448 2.261 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C)o3)C[C@@]2(C)C1 ZINC001101336929 1245680344 /nfs/dbraw/zinc/68/03/44/1245680344.db2.gz VYNPCRYHTJQFDC-SIIHOXLZSA-N 1 2 332.448 2.261 20 30 EEEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C)[nH]4)C[C@@]3(C)C2)CC1 ZINC001101355231 1245705737 /nfs/dbraw/zinc/70/57/37/1245705737.db2.gz UYITXFFAPDLPDY-QAPCUYQASA-N 1 2 343.475 2.140 20 30 EEEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C)[nH]4)C[C@@]3(C)C2)CC1 ZINC001101355231 1245705746 /nfs/dbraw/zinc/70/57/46/1245705746.db2.gz UYITXFFAPDLPDY-QAPCUYQASA-N 1 2 343.475 2.140 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@@H]([C@@H](C)NC(=O)Cc3[nH]cc[nH+]3)C2)CCC1 ZINC001051532805 1245842901 /nfs/dbraw/zinc/84/29/01/1245842901.db2.gz KWHMHBGOAWPKEJ-HUUCEWRRSA-N 1 2 344.459 2.052 20 30 EEEDLO Cc1cccc([C@@H](C)[NH+]2CC3(C2)CN(C(=O)[C@H](C)C#N)CCO3)c1 ZINC001053191017 1246029925 /nfs/dbraw/zinc/02/99/25/1246029925.db2.gz JIWMZECJONXBAE-HZPDHXFCSA-N 1 2 327.428 2.129 20 30 EEEDLO CCCC(=O)N1CC[C@@H]([NH+]2CCN(Cc3ccc(C#N)s3)CC2)C1 ZINC001051970820 1246325617 /nfs/dbraw/zinc/32/56/17/1246325617.db2.gz NIKVHQLEPJMMTR-OAHLLOKOSA-N 1 2 346.500 2.138 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CC3=CCCCC3)C2)CC1 ZINC001051997918 1246358780 /nfs/dbraw/zinc/35/87/80/1246358780.db2.gz KSUMKGRZOJZOTL-IBGZPJMESA-N 1 2 329.488 2.119 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1[C@@H]3c4ccccc4C[C@H]13)CCO2 ZINC001053461700 1246361449 /nfs/dbraw/zinc/36/14/49/1246361449.db2.gz WBAMOCIXLQCKFE-IPMKNSEASA-N 1 2 338.451 2.062 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)C(C)(C)C3CC3)C2)CC1 ZINC001052062900 1246433081 /nfs/dbraw/zinc/43/30/81/1246433081.db2.gz QBLKBRHLXPGXHO-INIZCTEOSA-N 1 2 339.911 2.394 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)Cc1ccc(F)cc1)CCO2 ZINC001053548539 1246460910 /nfs/dbraw/zinc/46/09/10/1246460910.db2.gz TXNYBEKIBORABN-MRXNPFEDSA-N 1 2 346.446 2.494 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](F)c3ccccc3)C2)CC1 ZINC001052086653 1246464789 /nfs/dbraw/zinc/46/47/89/1246464789.db2.gz FDZWRSOROWBECE-ROUUACIJSA-N 1 2 331.435 2.102 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]cc3C3CC3)C2)CC1 ZINC001052102671 1246481675 /nfs/dbraw/zinc/48/16/75/1246481675.db2.gz GYEQEMLRCHWVDC-KRWDZBQOSA-N 1 2 342.487 2.300 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](F)CC3CCCCC3)C2)CC1 ZINC001052108738 1246489137 /nfs/dbraw/zinc/48/91/37/1246489137.db2.gz QGQJDMQIWMWXLU-OALUTQOASA-N 1 2 349.494 2.147 20 30 EEEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H](C)c3ccco3)C2)CC1 ZINC001052108983 1246489193 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CC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1c(F)ccc(C#N)c1F)CCO2 ZINC001143171403 1315879773 /nfs/dbraw/zinc/87/97/73/1315879773.db2.gz YDHUDQVYYYQYNU-SFHVURJKSA-N 1 2 349.381 2.050 20 30 EEEDLO CC(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1c(F)ccc(C#N)c1F)CCO2 ZINC001143171403 1315879777 /nfs/dbraw/zinc/87/97/77/1315879777.db2.gz YDHUDQVYYYQYNU-SFHVURJKSA-N 1 2 349.381 2.050 20 30 EEEDLO C#CCCCC(=O)NC[C@H]1C[N@H+](CC=C(Cl)Cl)CCCO1 ZINC001149646183 1316004938 /nfs/dbraw/zinc/00/49/38/1316004938.db2.gz JCOIMRFUWAYJPL-ZDUSSCGKSA-N 1 2 333.259 2.316 20 30 EEEDLO C#CCCCC(=O)NC[C@H]1C[N@@H+](CC=C(Cl)Cl)CCCO1 ZINC001149646183 1316004942 /nfs/dbraw/zinc/00/49/42/1316004942.db2.gz JCOIMRFUWAYJPL-ZDUSSCGKSA-N 1 2 333.259 2.316 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001149967339 1316108944 /nfs/dbraw/zinc/10/89/44/1316108944.db2.gz XBQQYJYMYPVVJM-HUUCEWRRSA-N 1 2 344.883 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001149967339 1316108947 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N#Cc1ccc(C[NH2+]CCCNC(=O)C(F)C(F)(F)F)c(F)c1 ZINC001158479392 1319260615 /nfs/dbraw/zinc/26/06/15/1319260615.db2.gz KYXUXBASXIJCRX-LBPRGKRZSA-N 1 2 335.276 2.194 20 30 EEEDLO N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H](F)C(F)(F)F)c(F)c1 ZINC001158479392 1319260626 /nfs/dbraw/zinc/26/06/26/1319260626.db2.gz KYXUXBASXIJCRX-LBPRGKRZSA-N 1 2 335.276 2.194 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2cnn(C)n2)CC1 ZINC001160960888 1320332217 /nfs/dbraw/zinc/33/22/17/1320332217.db2.gz AZBYPMQZBDYGIC-OAHLLOKOSA-N 1 2 331.464 2.056 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2cnn(C)n2)CC1 ZINC001160960888 1320332218 /nfs/dbraw/zinc/33/22/18/1320332218.db2.gz AZBYPMQZBDYGIC-OAHLLOKOSA-N 1 2 331.464 2.056 20 30 EEEDLO N#CCN1CC=C(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001161627314 1320563292 /nfs/dbraw/zinc/56/32/92/1320563292.db2.gz GDHOPXMHEOJGHP-UHFFFAOYSA-N 1 2 335.411 2.148 20 30 EEEDLO C#C[C@H](C)Nc1[nH+]cnc2c1ccn2S(=O)(=O)c1ccc(C)cc1 ZINC001163156131 1321053197 /nfs/dbraw/zinc/05/31/97/1321053197.db2.gz WQAPZBLVLVQZMK-ZDUSSCGKSA-N 1 2 340.408 2.410 20 30 EEEDLO C=C(C)CCC(=O)NCCC1(C[NH2+]Cc2nnn(C(C)(C)C)n2)CC1 ZINC001165258576 1321484505 /nfs/dbraw/zinc/48/45/05/1321484505.db2.gz GGLGZRTWPGEOQG-UHFFFAOYSA-N 1 2 348.495 2.161 20 30 EEEDLO N#Cc1ccc(C[N@H+]2Cc3nccn3C[C@H](Cn3cccn3)C2)cc1 ZINC001203902250 1321985619 /nfs/dbraw/zinc/98/56/19/1321985619.db2.gz XSTGPESFOGOFNT-GOSISDBHSA-N 1 2 332.411 2.283 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2Cc3nccn3C[C@H](Cn3cccn3)C2)cc1 ZINC001203902250 1321985623 /nfs/dbraw/zinc/98/56/23/1321985623.db2.gz XSTGPESFOGOFNT-GOSISDBHSA-N 1 2 332.411 2.283 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001204371551 1322132155 /nfs/dbraw/zinc/13/21/55/1322132155.db2.gz KDICJXZWYHDYEB-HZPDHXFCSA-N 1 2 331.416 2.018 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001204371551 1322132157 /nfs/dbraw/zinc/13/21/57/1322132157.db2.gz KDICJXZWYHDYEB-HZPDHXFCSA-N 1 2 331.416 2.018 20 30 EEEDLO CCOCCCn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)C[C@@H](C)C#N ZINC001263368949 1322472169 /nfs/dbraw/zinc/47/21/69/1322472169.db2.gz IEBWUUPPUXOCFB-GJZGRUSLSA-N 1 2 334.468 2.067 20 30 EEEDLO CCOCCCn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)C[C@@H](C)C#N ZINC001263368949 1322472172 /nfs/dbraw/zinc/47/21/72/1322472172.db2.gz IEBWUUPPUXOCFB-GJZGRUSLSA-N 1 2 334.468 2.067 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(=O)Nc2cc(C)on2)C[C@H]1C ZINC001206501851 1323514148 /nfs/dbraw/zinc/51/41/48/1323514148.db2.gz IYFUTXZTMASKKE-YUELXQCFSA-N 1 2 348.447 2.103 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(=O)Nc2cc(C)on2)C[C@H]1C ZINC001206501851 1323514154 /nfs/dbraw/zinc/51/41/54/1323514154.db2.gz IYFUTXZTMASKKE-YUELXQCFSA-N 1 2 348.447 2.103 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001206545315 1323528606 /nfs/dbraw/zinc/52/86/06/1323528606.db2.gz UUAWBIKBLXRPRS-CRAIPNDOSA-N 1 2 339.443 2.170 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nn2)C[C@H]1C ZINC001206545315 1323528614 /nfs/dbraw/zinc/52/86/14/1323528614.db2.gz UUAWBIKBLXRPRS-CRAIPNDOSA-N 1 2 339.443 2.170 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(C)c(C)o2)C[C@H]1C ZINC001206779042 1323590535 /nfs/dbraw/zinc/59/05/35/1323590535.db2.gz WAMIZXAAEYGHBH-CZUORRHYSA-N 1 2 335.448 2.211 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+](Cc2nc(C)c(C)o2)C[C@H]1C ZINC001206779042 1323590540 /nfs/dbraw/zinc/59/05/40/1323590540.db2.gz WAMIZXAAEYGHBH-CZUORRHYSA-N 1 2 335.448 2.211 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H](C)OC)C1 ZINC001206894967 1323677382 /nfs/dbraw/zinc/67/73/82/1323677382.db2.gz YYWDQFCORGWNGS-RAIGVLPGSA-N 1 2 333.270 2.147 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H](C)OC)C1 ZINC001206894967 1323677389 /nfs/dbraw/zinc/67/73/89/1323677389.db2.gz YYWDQFCORGWNGS-RAIGVLPGSA-N 1 2 333.270 2.147 20 30 EEEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2cscn2)C[C@H]1C)OCC ZINC001207263261 1323918862 /nfs/dbraw/zinc/91/88/62/1323918862.db2.gz QIDNKPRRZOEDBC-BMFZPTHFSA-N 1 2 337.489 2.451 20 30 EEEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2cscn2)C[C@H]1C)OCC ZINC001207263261 1323918864 /nfs/dbraw/zinc/91/88/64/1323918864.db2.gz QIDNKPRRZOEDBC-BMFZPTHFSA-N 1 2 337.489 2.451 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(=O)NCCCC ZINC001316599735 1324032162 /nfs/dbraw/zinc/03/21/62/1324032162.db2.gz FNLBORGWQHNSRR-JKSUJKDBSA-N 1 2 337.508 2.426 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NCCCC ZINC001316599735 1324032167 /nfs/dbraw/zinc/03/21/67/1324032167.db2.gz FNLBORGWQHNSRR-JKSUJKDBSA-N 1 2 337.508 2.426 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C(C)C)c1 ZINC001316605855 1324477970 /nfs/dbraw/zinc/47/79/70/1324477970.db2.gz IJHUGGLDZWUDBW-GOSISDBHSA-N 1 2 343.471 2.259 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C(C)C)c1 ZINC001316605855 1324477975 /nfs/dbraw/zinc/47/79/75/1324477975.db2.gz IJHUGGLDZWUDBW-GOSISDBHSA-N 1 2 343.471 2.259 20 30 EEEDLO C=CCCC1(C(=O)N2CCC[C@@H]([NH2+]Cc3nc(CC)no3)C2)CC1 ZINC001209492704 1324947133 /nfs/dbraw/zinc/94/71/33/1324947133.db2.gz FTHKJBWATGHOEK-CQSZACIVSA-N 1 2 332.448 2.459 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]2C)CCOCC1 ZINC001210660529 1325373869 /nfs/dbraw/zinc/37/38/69/1325373869.db2.gz OMOVNGDEYIMTBF-RHSMWYFYSA-N 1 2 347.459 2.292 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)on3)C[C@H]2C)CCOCC1 ZINC001210660529 1325373881 /nfs/dbraw/zinc/37/38/81/1325373881.db2.gz OMOVNGDEYIMTBF-RHSMWYFYSA-N 1 2 347.459 2.292 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(F)c2)C1 ZINC001316976620 1332025260 /nfs/dbraw/zinc/02/52/60/1332025260.db2.gz UABBNJOZSNHRLZ-YOEHRIQHSA-N 1 2 345.418 2.147 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(F)c2)C1 ZINC001316976620 1332025261 /nfs/dbraw/zinc/02/52/61/1332025261.db2.gz UABBNJOZSNHRLZ-YOEHRIQHSA-N 1 2 345.418 2.147 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(CC(F)F)C1CCC1 ZINC001339096566 1336958646 /nfs/dbraw/zinc/95/86/46/1336958646.db2.gz YJIAFVUISQAURD-UHFFFAOYSA-N 1 2 336.390 2.412 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CC=CCC1 ZINC001339476639 1337011308 /nfs/dbraw/zinc/01/13/08/1337011308.db2.gz ZILXHSBUNKGMJQ-HOTGVXAUSA-N 1 2 329.448 2.156 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CC=CCC1 ZINC001339476639 1337011311 /nfs/dbraw/zinc/01/13/11/1337011311.db2.gz ZILXHSBUNKGMJQ-HOTGVXAUSA-N 1 2 329.448 2.156 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001339880545 1337089591 /nfs/dbraw/zinc/08/95/91/1337089591.db2.gz SDWOKKGHEQJOGB-GASCZTMLSA-N 1 2 326.448 2.415 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)C1CCN(OC)CC1 ZINC001340389011 1337174460 /nfs/dbraw/zinc/17/44/60/1337174460.db2.gz ACOUMBWCIMLKGU-INIZCTEOSA-N 1 2 348.495 2.083 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)C1CCN(OC)CC1 ZINC001340389011 1337174461 /nfs/dbraw/zinc/17/44/61/1337174461.db2.gz ACOUMBWCIMLKGU-INIZCTEOSA-N 1 2 348.495 2.083 20 30 EEEDLO CCn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1cccc(C#N)c1 ZINC001340800433 1337248839 /nfs/dbraw/zinc/24/88/39/1337248839.db2.gz QMHGNEWWTCDPMT-UHFFFAOYSA-N 1 2 335.415 2.130 20 30 EEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCc1ccco1 ZINC001340980290 1337271674 /nfs/dbraw/zinc/27/16/74/1337271674.db2.gz GSILMEROQBASAS-AWEZNQCLSA-N 1 2 332.400 2.448 20 30 EEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCc1ccco1 ZINC001340980290 1337271676 /nfs/dbraw/zinc/27/16/76/1337271676.db2.gz GSILMEROQBASAS-AWEZNQCLSA-N 1 2 332.400 2.448 20 30 EEEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)[C@H](C#N)C(=O)NCc1ccc(F)cc1F ZINC001344570080 1337401272 /nfs/dbraw/zinc/40/12/72/1337401272.db2.gz MHNCPQMSUHAKMH-HOCLYGCPSA-N 1 2 349.381 2.163 20 30 EEEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)[C@H](C#N)C(=O)NCc1ccc(F)cc1F ZINC001344570080 1337401277 /nfs/dbraw/zinc/40/12/77/1337401277.db2.gz MHNCPQMSUHAKMH-HOCLYGCPSA-N 1 2 349.381 2.163 20 30 EEEDLO C=C(CC)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001349845552 1337652760 /nfs/dbraw/zinc/65/27/60/1337652760.db2.gz IGJHXIXBBSUJJF-OAHLLOKOSA-N 1 2 337.464 2.106 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001351616901 1337831920 /nfs/dbraw/zinc/83/19/20/1337831920.db2.gz UQFKDBGVMRANFM-BBWFWOEESA-N 1 2 345.491 2.484 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001351616901 1337831925 /nfs/dbraw/zinc/83/19/25/1337831925.db2.gz UQFKDBGVMRANFM-BBWFWOEESA-N 1 2 345.491 2.484 20 30 EEEDLO Cc1nc(N(C)CCNC(=O)C#CC(C)(C)C)c2c([nH+]1)CCCC2 ZINC001100063081 1337968458 /nfs/dbraw/zinc/96/84/58/1337968458.db2.gz OKSGSUKPLVRLOW-UHFFFAOYSA-N 1 2 328.460 2.266 20 30 EEEDLO C#Cc1cncc(C(=O)NCCN(CC)c2nc(C)[nH+]c(C)c2C)c1 ZINC001100714033 1338674312 /nfs/dbraw/zinc/67/43/12/1338674312.db2.gz UJVGWFRLFOMKQZ-UHFFFAOYSA-N 1 2 337.427 2.034 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)[C@H](C)CC#N ZINC001355876931 1338761712 /nfs/dbraw/zinc/76/17/12/1338761712.db2.gz PPTVKMHBOHORRM-PMPSAXMXSA-N 1 2 344.463 2.128 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)[C@H](C)CC#N ZINC001355876931 1338761716 /nfs/dbraw/zinc/76/17/16/1338761716.db2.gz PPTVKMHBOHORRM-PMPSAXMXSA-N 1 2 344.463 2.128 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC(SC)CC1 ZINC001356152861 1338801502 /nfs/dbraw/zinc/80/15/02/1338801502.db2.gz PJNHHOABEATJIX-UHFFFAOYSA-N 1 2 332.477 2.120 20 30 EEEDLO CC[C@H](C(=O)NCc1ccc(OCC#N)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC001433661691 1341652474 /nfs/dbraw/zinc/65/24/74/1341652474.db2.gz JBXFWACKXHJZJH-SJLPKXTDSA-N 1 2 345.443 2.095 20 30 EEEDLO CC[C@H](C(=O)NCc1ccc(OCC#N)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC001433661691 1341652476 /nfs/dbraw/zinc/65/24/76/1341652476.db2.gz JBXFWACKXHJZJH-SJLPKXTDSA-N 1 2 345.443 2.095 20 30 EEEDLO N#C[C@H]1C[NH2+]CCN1Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC001580044877 1344457110 /nfs/dbraw/zinc/45/71/10/1344457110.db2.gz LLLLAAUOSHTSSX-VIFPVBQESA-N 1 2 338.198 2.341 20 30 EEEDLO O=C1C(=Cc2cccc3[nH+]ccn32)Cc2ccc(-c3nn[nH]n3)cc21 ZINC001593381009 1349794493 /nfs/dbraw/zinc/79/44/93/1349794493.db2.gz VYPOBFLUNFWNBG-UKTHLTGXSA-N 1 2 328.335 2.337 20 30 EEEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CC(F)(F)F ZINC001647706604 1353388804 /nfs/dbraw/zinc/38/88/04/1353388804.db2.gz UPAMJTXZFFWRTA-UHFFFAOYSA-N 1 2 344.385 2.390 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nsc(N(C)C)n1 ZINC001135229992 1368066357 /nfs/dbraw/zinc/06/63/57/1368066357.db2.gz HLOLIYLGUDOLDT-NEPJUHHUSA-N 1 2 339.509 2.189 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C)cn3)C[C@H]21 ZINC001188909695 1368329203 /nfs/dbraw/zinc/32/92/03/1368329203.db2.gz WWAIDWOAXPDDRR-IXDOHACOSA-N 1 2 328.460 2.420 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C)cn3)C[C@H]21 ZINC001188909695 1368329209 /nfs/dbraw/zinc/32/92/09/1368329209.db2.gz WWAIDWOAXPDDRR-IXDOHACOSA-N 1 2 328.460 2.420 20 30 EEEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000852346261 1369262996 /nfs/dbraw/zinc/26/29/96/1369262996.db2.gz CHAHACSMMZXOBE-IAGOWNOFSA-N 1 2 347.846 2.130 20 30 EEEDLO CC(C)C[C@@H](C(=O)NC[C@H](C)Nc1ncccc1C#N)n1cc[nH+]c1 ZINC001098107697 1370298264 /nfs/dbraw/zinc/29/82/64/1370298264.db2.gz OGNCIHYRLWTHCC-HOCLYGCPSA-N 1 2 340.431 2.354 20 30 EEEDLO C#CCCCC(=O)NC[C@H]1COCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC001111680749 1371210620 /nfs/dbraw/zinc/21/06/20/1371210620.db2.gz CKFRXWHGVSGOMD-INIZCTEOSA-N 1 2 344.459 2.033 20 30 EEEDLO C=CCN(Cc1cccc(C#N)c1)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783972125 1371379650 /nfs/dbraw/zinc/37/96/50/1371379650.db2.gz CETUMTPDBFWIQS-SFHVURJKSA-N 1 2 349.438 2.253 20 30 EEEDLO C[C@H](CCCNc1ccc(C#N)nc1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001115096446 1371517327 /nfs/dbraw/zinc/51/73/27/1371517327.db2.gz STDYLQSIFJXMPB-HUUCEWRRSA-N 1 2 340.431 2.498 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H](C)CN(C)C(=O)CCCn2cc[nH+]c2)n1 ZINC001115761985 1371703889 /nfs/dbraw/zinc/70/38/89/1371703889.db2.gz KUCIKDQUTAHUFF-HNNXBMFYSA-N 1 2 340.431 2.197 20 30 EEEDLO C=C[C@@H](COC)NC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001116619022 1371730571 /nfs/dbraw/zinc/73/05/71/1371730571.db2.gz HIJTVNJKLWJZPP-RDJZCZTQSA-N 1 2 347.459 2.284 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCCO[C@H](C)C1 ZINC001122536598 1372059303 /nfs/dbraw/zinc/05/93/03/1372059303.db2.gz HVEADWGIRJCDDN-MRXNPFEDSA-N 1 2 333.480 2.455 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCCN(c2[nH+]cnc3c2cnn3C)[C@H]1C ZINC001123637456 1372165178 /nfs/dbraw/zinc/16/51/78/1372165178.db2.gz UBEBNSZRZMMEOU-ZFWWWQNUSA-N 1 2 342.447 2.193 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)C[C@@H](O)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001125265344 1372234180 /nfs/dbraw/zinc/23/41/80/1372234180.db2.gz WSTJTDXGJDGHTL-QFBILLFUSA-N 1 2 348.491 2.260 20 30 EEEDLO CC(C)C#CC(=O)N[C@H]1C[C@H]([NH2+]Cc2noc(C3CC3)n2)C12CCC2 ZINC001202878633 1372446211 /nfs/dbraw/zinc/44/62/11/1372446211.db2.gz VDUIKURLEGQTGY-GJZGRUSLSA-N 1 2 342.443 2.123 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)nc1OC ZINC001139108949 1372461070 /nfs/dbraw/zinc/46/10/70/1372461070.db2.gz ZUPGVWHGQLYQGC-UHFFFAOYSA-N 1 2 338.411 2.293 20 30 EEEDLO N#Cc1ccccc1OC1CC[NH+](Cc2cn3c(n2)COCC3)CC1 ZINC001141537421 1372870735 /nfs/dbraw/zinc/87/07/35/1372870735.db2.gz ULSPITRLSKMNHP-UHFFFAOYSA-N 1 2 338.411 2.328 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(CCC#N)CCOC ZINC001357125917 1373209693 /nfs/dbraw/zinc/20/96/93/1373209693.db2.gz GHKQGTBWTRZWGP-INIZCTEOSA-N 1 2 346.479 2.377 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(CCC#N)CCOC ZINC001357125917 1373209697 /nfs/dbraw/zinc/20/96/97/1373209697.db2.gz GHKQGTBWTRZWGP-INIZCTEOSA-N 1 2 346.479 2.377 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)COc1ccc(F)cc1F ZINC001367517235 1374192456 /nfs/dbraw/zinc/19/24/56/1374192456.db2.gz IHSSFYJAQJZVJU-UHFFFAOYSA-N 1 2 332.778 2.486 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)COc1ccc(F)cc1F ZINC001367517235 1374192461 /nfs/dbraw/zinc/19/24/61/1374192461.db2.gz IHSSFYJAQJZVJU-UHFFFAOYSA-N 1 2 332.778 2.486 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCCCN1C(=O)CCC ZINC001372476826 1376028305 /nfs/dbraw/zinc/02/83/05/1376028305.db2.gz SRWXUDFHJPKFHY-HNNXBMFYSA-N 1 2 343.899 2.358 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCCCN1C(=O)CCC ZINC001372476826 1376028310 /nfs/dbraw/zinc/02/83/10/1376028310.db2.gz SRWXUDFHJPKFHY-HNNXBMFYSA-N 1 2 343.899 2.358 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)CN(C(C)=O)c1ccccc1)C1CC1 ZINC001372904377 1376284015 /nfs/dbraw/zinc/28/40/15/1376284015.db2.gz JWFFULFMNMWECX-UHFFFAOYSA-N 1 2 349.862 2.373 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)CN(C(C)=O)c1ccccc1)C1CC1 ZINC001372904377 1376284020 /nfs/dbraw/zinc/28/40/20/1376284020.db2.gz JWFFULFMNMWECX-UHFFFAOYSA-N 1 2 349.862 2.373 20 30 EEEDLO C[C@@H](OCC1CC1)C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001373495643 1376533297 /nfs/dbraw/zinc/53/32/97/1376533297.db2.gz ZYYSOYDIZHRJFX-CYBMUJFWSA-N 1 2 345.418 2.060 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)COC1CCCC1 ZINC001377388576 1379195381 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EEEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)c3ccns3)CC2)c1 ZINC000981266468 777034671 /nfs/dbraw/zinc/03/46/71/777034671.db2.gz BYNHKOHHJOMIIB-UHFFFAOYSA-N 1 2 326.425 2.363 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(F)c[nH]3)CC2)s1 ZINC000981631872 777851180 /nfs/dbraw/zinc/85/11/80/777851180.db2.gz DWALNHBPIFHRIY-UHFFFAOYSA-N 1 2 332.404 2.435 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(F)c[nH]3)CC2)s1 ZINC000981631872 777851192 /nfs/dbraw/zinc/85/11/92/777851192.db2.gz DWALNHBPIFHRIY-UHFFFAOYSA-N 1 2 332.404 2.435 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[N@@H+]([C@@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000981909355 778523357 /nfs/dbraw/zinc/52/33/57/778523357.db2.gz KVMPJRZWXSPUPQ-INIZCTEOSA-N 1 2 347.503 2.324 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[N@H+]([C@@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000981909355 778523363 /nfs/dbraw/zinc/52/33/63/778523363.db2.gz KVMPJRZWXSPUPQ-INIZCTEOSA-N 1 2 347.503 2.324 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[N@H+](CC(=O)N3CCCCCC3)CC2)C1 ZINC000981917698 778529317 /nfs/dbraw/zinc/52/93/17/778529317.db2.gz BBCIDEKTZPSAJU-UHFFFAOYSA-N 1 2 347.503 2.280 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[N@@H+](CC(=O)N3CCCCCC3)CC2)C1 ZINC000981917698 778529325 /nfs/dbraw/zinc/52/93/25/778529325.db2.gz BBCIDEKTZPSAJU-UHFFFAOYSA-N 1 2 347.503 2.280 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2ccnc2)cn1 ZINC001028260265 779740730 /nfs/dbraw/zinc/74/07/30/779740730.db2.gz VPNMWCHIONSWHU-AWEZNQCLSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2ccnc2)cn1 ZINC001028260265 779740734 /nfs/dbraw/zinc/74/07/34/779740734.db2.gz VPNMWCHIONSWHU-AWEZNQCLSA-N 1 2 345.834 2.214 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H](C)[C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)c1 ZINC001060369930 790770008 /nfs/dbraw/zinc/77/00/08/790770008.db2.gz PZQBHEDEAICSNT-RHSMWYFYSA-N 1 2 349.438 2.196 20 30 EEEDLO C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087443548 780295677 /nfs/dbraw/zinc/29/56/77/780295677.db2.gz SFUWZDSONAJUOF-RTBURBONSA-N 1 2 327.472 2.243 20 30 EEEDLO C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087443548 780295679 /nfs/dbraw/zinc/29/56/79/780295679.db2.gz SFUWZDSONAJUOF-RTBURBONSA-N 1 2 327.472 2.243 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001032535704 790782805 /nfs/dbraw/zinc/78/28/05/790782805.db2.gz USKWQPZQTVRHMP-NXNVCVFFSA-N 1 2 330.378 2.377 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001032535704 790782814 /nfs/dbraw/zinc/78/28/14/790782814.db2.gz USKWQPZQTVRHMP-NXNVCVFFSA-N 1 2 330.378 2.377 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](CCC)CC(C)C)C2)nn1 ZINC001105379241 781199956 /nfs/dbraw/zinc/19/99/56/781199956.db2.gz SPBMOIFDXUPXLZ-INIZCTEOSA-N 1 2 345.491 2.237 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)CCCCOC)CC1 ZINC001226471535 781561621 /nfs/dbraw/zinc/56/16/21/781561621.db2.gz PNHDBQUXBKZZFM-UHFFFAOYSA-N 1 2 333.270 2.292 20 30 EEEDLO Cc1nsc(N[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)c1C#N ZINC001063376681 790898582 /nfs/dbraw/zinc/89/85/82/790898582.db2.gz SYPBAUPZJQNFFZ-JOCQHMNTSA-N 1 2 344.444 2.059 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCO2)[C@H]1CC ZINC001087543513 781784792 /nfs/dbraw/zinc/78/47/92/781784792.db2.gz YANLBOLZNLWMHI-BFHYXJOUSA-N 1 2 345.281 2.433 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCO2)[C@H]1CC ZINC001087543513 781784797 /nfs/dbraw/zinc/78/47/97/781784797.db2.gz YANLBOLZNLWMHI-BFHYXJOUSA-N 1 2 345.281 2.433 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2nonc2C)C[C@H]1C ZINC000942130420 781789324 /nfs/dbraw/zinc/78/93/24/781789324.db2.gz NMZZSNLMGXMXSU-HIFRSBDPSA-N 1 2 343.431 2.006 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2nonc2C)C[C@H]1C ZINC000942130420 781789332 /nfs/dbraw/zinc/78/93/32/781789332.db2.gz NMZZSNLMGXMXSU-HIFRSBDPSA-N 1 2 343.431 2.006 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001033290335 783384823 /nfs/dbraw/zinc/38/48/23/783384823.db2.gz QPUMLOGSJUEIDF-LBPRGKRZSA-N 1 2 347.850 2.419 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001033290335 783384831 /nfs/dbraw/zinc/38/48/31/783384831.db2.gz QPUMLOGSJUEIDF-LBPRGKRZSA-N 1 2 347.850 2.419 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001131947162 783510349 /nfs/dbraw/zinc/51/03/49/783510349.db2.gz QKAZDODKLOOTDD-HIFRSBDPSA-N 1 2 337.851 2.407 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001131947162 783510352 /nfs/dbraw/zinc/51/03/52/783510352.db2.gz QKAZDODKLOOTDD-HIFRSBDPSA-N 1 2 337.851 2.407 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ncoc2C(C)C)C1 ZINC001131947704 783511787 /nfs/dbraw/zinc/51/17/87/783511787.db2.gz XVGMHSAIPDOZEV-HUUCEWRRSA-N 1 2 335.448 2.470 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001131947704 783511798 /nfs/dbraw/zinc/51/17/98/783511798.db2.gz XVGMHSAIPDOZEV-HUUCEWRRSA-N 1 2 335.448 2.470 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+]([C@H](C)c3ncccn3)C2)cc1 ZINC001033321705 783556502 /nfs/dbraw/zinc/55/65/02/783556502.db2.gz IFSCFXFGOCSEDV-QAPCUYQASA-N 1 2 334.423 2.365 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+]([C@H](C)c3ncccn3)C2)cc1 ZINC001033321705 783556510 /nfs/dbraw/zinc/55/65/10/783556510.db2.gz IFSCFXFGOCSEDV-QAPCUYQASA-N 1 2 334.423 2.365 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+]([C@@H](C)c3ncccn3)C2)cc1 ZINC001033321709 783556640 /nfs/dbraw/zinc/55/66/40/783556640.db2.gz IFSCFXFGOCSEDV-YJBOKZPZSA-N 1 2 334.423 2.365 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+]([C@@H](C)c3ncccn3)C2)cc1 ZINC001033321709 783556650 /nfs/dbraw/zinc/55/66/50/783556650.db2.gz IFSCFXFGOCSEDV-YJBOKZPZSA-N 1 2 334.423 2.365 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2scnc2C(F)(F)F)C1 ZINC001035395236 784438469 /nfs/dbraw/zinc/43/84/69/784438469.db2.gz AROYZOOOMGDABX-SNVBAGLBSA-N 1 2 349.378 2.169 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2scnc2C(F)(F)F)C1 ZINC001035395236 784438474 /nfs/dbraw/zinc/43/84/74/784438474.db2.gz AROYZOOOMGDABX-SNVBAGLBSA-N 1 2 349.378 2.169 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001035430983 784513216 /nfs/dbraw/zinc/51/32/16/784513216.db2.gz IYCKIUCJTQMALD-LJQANCHMSA-N 1 2 339.439 2.484 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001035430983 784513221 /nfs/dbraw/zinc/51/32/21/784513221.db2.gz IYCKIUCJTQMALD-LJQANCHMSA-N 1 2 339.439 2.484 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001035518127 784637474 /nfs/dbraw/zinc/63/74/74/784637474.db2.gz KLWBBGKDZLRNLL-MRXNPFEDSA-N 1 2 329.444 2.274 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001035518127 784637478 /nfs/dbraw/zinc/63/74/78/784637478.db2.gz KLWBBGKDZLRNLL-MRXNPFEDSA-N 1 2 329.444 2.274 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn(CC)nc2C(C)C)C1 ZINC001035522399 784664803 /nfs/dbraw/zinc/66/48/03/784664803.db2.gz LBCDHABXAXWRMV-HNNXBMFYSA-N 1 2 334.464 2.033 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cn(CC)nc2C(C)C)C1 ZINC001035522399 784664811 /nfs/dbraw/zinc/66/48/11/784664811.db2.gz LBCDHABXAXWRMV-HNNXBMFYSA-N 1 2 334.464 2.033 20 30 EEEDLO NC(=NOCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000817376700 784724169 /nfs/dbraw/zinc/72/41/69/784724169.db2.gz LDDIKJNOXMIRAV-UHFFFAOYSA-N 1 2 343.402 2.495 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-c3cccs3)o2)C1 ZINC001035595165 784748019 /nfs/dbraw/zinc/74/80/19/784748019.db2.gz CYSVRQDLJHOCJS-CQSZACIVSA-N 1 2 344.436 2.462 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccc(-c3cccs3)o2)C1 ZINC001035595165 784748026 /nfs/dbraw/zinc/74/80/26/784748026.db2.gz CYSVRQDLJHOCJS-CQSZACIVSA-N 1 2 344.436 2.462 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc3c(s2)CC[C@H](C)C3)C1 ZINC001035602502 784763596 /nfs/dbraw/zinc/76/35/96/784763596.db2.gz IYZHSULFGUOPMT-HOCLYGCPSA-N 1 2 346.496 2.327 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc3c(s2)CC[C@H](C)C3)C1 ZINC001035602502 784763604 /nfs/dbraw/zinc/76/36/04/784763604.db2.gz IYZHSULFGUOPMT-HOCLYGCPSA-N 1 2 346.496 2.327 20 30 EEEDLO Cc1nc(C[NH+]2CC3(C2)CCN(C(=O)[C@H](C)C#N)CC3)sc1C ZINC001035671167 784962360 /nfs/dbraw/zinc/96/23/60/784962360.db2.gz NDHNPJQHEVGYFD-GFCCVEGCSA-N 1 2 332.473 2.344 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)Cc1nc(CC)c[nH]1)CC2 ZINC001035726084 785025311 /nfs/dbraw/zinc/02/53/11/785025311.db2.gz LFZLXCUEOHIGRP-UHFFFAOYSA-N 1 2 336.867 2.192 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H](OC)C1)CC2 ZINC001035741500 785056434 /nfs/dbraw/zinc/05/64/34/785056434.db2.gz MRHIDUPIOZXZGO-CABCVRRESA-N 1 2 326.868 2.478 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)[C@H](C)CCC)CC2)C1 ZINC001105699959 785261286 /nfs/dbraw/zinc/26/12/86/785261286.db2.gz NEQAZMJKGKMEOX-MRXNPFEDSA-N 1 2 338.492 2.317 20 30 EEEDLO C#CCCCCCC(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106051523 791147268 /nfs/dbraw/zinc/14/72/68/791147268.db2.gz HMTPUTZGAOYOOQ-MRXNPFEDSA-N 1 2 344.459 2.135 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CC[C@H](C)C3)nn2)C1 ZINC001107192308 786315290 /nfs/dbraw/zinc/31/52/90/786315290.db2.gz FZMAQNAMLFAEJD-LSDHHAIUSA-N 1 2 331.464 2.153 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCCC(F)(F)F)nn2)C1 ZINC001107213695 786443428 /nfs/dbraw/zinc/44/34/28/786443428.db2.gz GNFFHEBTAAHCCF-UHFFFAOYSA-N 1 2 345.369 2.060 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](C)c3ccccc3)nn2)C1 ZINC001107231309 786532738 /nfs/dbraw/zinc/53/27/38/786532738.db2.gz GUKGDQQSGGJONI-OAHLLOKOSA-N 1 2 339.443 2.131 20 30 EEEDLO CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc(N)[nH+]c2)cc1 ZINC000821040258 786569676 /nfs/dbraw/zinc/56/96/76/786569676.db2.gz WZJXFVXNSSORMD-YCRREMRBSA-N 1 2 331.397 2.322 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ncoc3C(C)C)C[C@H]2O)C1 ZINC001090555393 786914284 /nfs/dbraw/zinc/91/42/84/786914284.db2.gz KAMIHHDBDFXDQL-GOEBONIOSA-N 1 2 347.459 2.206 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ncoc3C(C)C)C[C@H]2O)C1 ZINC001090555393 786914288 /nfs/dbraw/zinc/91/42/88/786914288.db2.gz KAMIHHDBDFXDQL-GOEBONIOSA-N 1 2 347.459 2.206 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)[nH]1 ZINC001006948351 787100271 /nfs/dbraw/zinc/10/02/71/787100271.db2.gz UOOUAIWTSLOZMQ-LBPRGKRZSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)[nH]1 ZINC001006948351 787100275 /nfs/dbraw/zinc/10/02/75/787100275.db2.gz UOOUAIWTSLOZMQ-LBPRGKRZSA-N 1 2 329.429 2.046 20 30 EEEDLO C#Cc1cncc(C(=O)NC/C=C/CNc2cc(C)[nH+]c(C3CC3)n2)c1 ZINC001107500148 787440873 /nfs/dbraw/zinc/44/08/73/787440873.db2.gz YOJSDFBXBIXYPO-SNAWJCMRSA-N 1 2 347.422 2.437 20 30 EEEDLO C=CCCC1(C(=O)NC[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CC1 ZINC001062264039 787722028 /nfs/dbraw/zinc/72/20/28/787722028.db2.gz FOZBBQDBCZCSKI-MRXNPFEDSA-N 1 2 344.459 2.127 20 30 EEEDLO N#Cc1ccc(NCC=CCNC(=O)c2cc3c[nH+]ccc3[nH]2)nc1 ZINC001107590952 787754225 /nfs/dbraw/zinc/75/42/25/787754225.db2.gz ATCVRHBGPKPEPY-OWOJBTEDSA-N 1 2 332.367 2.228 20 30 EEEDLO N#Cc1cccnc1NCC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001107590999 787754714 /nfs/dbraw/zinc/75/47/14/787754714.db2.gz BOABGDNNVLGXBK-UPHRSURJSA-N 1 2 332.367 2.228 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)CCC1 ZINC001109683285 805871709 /nfs/dbraw/zinc/87/17/09/805871709.db2.gz FOXNJUVLJNKFLF-PMPSAXMXSA-N 1 2 347.503 2.369 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)CCC1 ZINC001109683285 805871720 /nfs/dbraw/zinc/87/17/20/805871720.db2.gz FOXNJUVLJNKFLF-PMPSAXMXSA-N 1 2 347.503 2.369 20 30 EEEDLO C[C@@H](C#N)C(=O)NC[C@]1(C)C[N@H+](Cc2cc3ccccc3o2)CCO1 ZINC001107818560 788563804 /nfs/dbraw/zinc/56/38/04/788563804.db2.gz BTRQSVZFVVLVAB-IFXJQAMLSA-N 1 2 341.411 2.300 20 30 EEEDLO C[C@@H](C#N)C(=O)NC[C@]1(C)C[N@@H+](Cc2cc3ccccc3o2)CCO1 ZINC001107818560 788563813 /nfs/dbraw/zinc/56/38/13/788563813.db2.gz BTRQSVZFVVLVAB-IFXJQAMLSA-N 1 2 341.411 2.300 20 30 EEEDLO Cc1nc(N[C@@H]2CN(C(=O)CC#Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC001090977177 789234876 /nfs/dbraw/zinc/23/48/76/789234876.db2.gz MMDQASORJNUDGZ-CRAIPNDOSA-N 1 2 334.423 2.486 20 30 EEEDLO COC(=O)CCCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000844763822 789381105 /nfs/dbraw/zinc/38/11/05/789381105.db2.gz OSNYAJMYNHELIZ-UHFFFAOYSA-N 1 2 343.383 2.251 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(Cl)cc2C)C1 ZINC001108180206 789540212 /nfs/dbraw/zinc/54/02/12/789540212.db2.gz CRWPCADKHWZZQH-SFHVURJKSA-N 1 2 334.847 2.492 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(Cl)cc2C)C1 ZINC001108180206 789540218 /nfs/dbraw/zinc/54/02/18/789540218.db2.gz CRWPCADKHWZZQH-SFHVURJKSA-N 1 2 334.847 2.492 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(C)c2F)[C@@H](O)C1 ZINC001090284545 789677830 /nfs/dbraw/zinc/67/78/30/789677830.db2.gz VGNWBERMFGYUME-KBPBESRZSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2F)[C@@H](O)C1 ZINC001090284545 789677837 /nfs/dbraw/zinc/67/78/37/789677837.db2.gz VGNWBERMFGYUME-KBPBESRZSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2nocc2C)CC1 ZINC001006123940 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794570923 /nfs/dbraw/zinc/57/09/23/794570923.db2.gz XTOPBVKGTXGHLI-OAHLLOKOSA-N 1 2 344.459 2.338 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC(N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001079791605 795199072 /nfs/dbraw/zinc/19/90/72/795199072.db2.gz KWHOIYLFHWIYLH-HZPDHXFCSA-N 1 2 346.475 2.496 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC(N(CC)C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001079793232 795201969 /nfs/dbraw/zinc/20/19/69/795201969.db2.gz WFJZSSZEQVDIJP-OAHLLOKOSA-N 1 2 344.459 2.250 20 30 EEEDLO CC1(C)CC(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)C1 ZINC001083721814 795234942 /nfs/dbraw/zinc/23/49/42/795234942.db2.gz ULDFQQUKBWLTIG-CVEARBPZSA-N 1 2 347.484 2.107 20 30 EEEDLO CC1(C)CC(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)C1 ZINC001083721814 795234948 /nfs/dbraw/zinc/23/49/48/795234948.db2.gz ULDFQQUKBWLTIG-CVEARBPZSA-N 1 2 347.484 2.107 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC[NH2+]Cc1csc(NC(C)=O)n1 ZINC001128088249 795264976 /nfs/dbraw/zinc/26/49/76/795264976.db2.gz RQOSZUNFNKYJLV-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/75/91/09/795759109.db2.gz BHDCRDNKUGJTCY-UHFFFAOYSA-N 1 2 340.427 2.219 20 30 EEEDLO CC#CCCCC(=O)N(CC)C1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001080298205 795795940 /nfs/dbraw/zinc/79/59/40/795795940.db2.gz FMXRGIQWWOKTTR-MRXNPFEDSA-N 1 2 344.459 2.087 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(CC)C1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001080307500 795810140 /nfs/dbraw/zinc/81/01/40/795810140.db2.gz YQOBCRDZSDMLRF-JKSUJKDBSA-N 1 2 346.475 2.496 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(CC)C1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001080310115 795819413 /nfs/dbraw/zinc/81/94/13/795819413.db2.gz MOUYGZFXNKHGSR-HNNXBMFYSA-N 1 2 346.475 2.014 20 30 EEEDLO C=CCC1(C(=O)N[C@H](C)CCNc2nc(N(C)C)nc(C)[nH+]2)CCC1 ZINC001106562300 795839105 /nfs/dbraw/zinc/83/91/05/795839105.db2.gz PEBOEMOULDCZJJ-CYBMUJFWSA-N 1 2 346.479 2.299 20 30 EEEDLO C[C@H](CC(=O)N[C@@H](C)CCNc1ncccc1C#N)n1cc[nH+]c1 ZINC001106594221 795910261 /nfs/dbraw/zinc/91/02/61/795910261.db2.gz YSILCBKVIRUTOM-UONOGXRCSA-N 1 2 326.404 2.108 20 30 EEEDLO C[C@H](CC(=O)N[C@@H](C)CCNc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001106593813 795918803 /nfs/dbraw/zinc/91/88/03/795918803.db2.gz UZANFVMGVRPWGN-UONOGXRCSA-N 1 2 326.404 2.108 20 30 EEEDLO C[C@H](CCNc1ncc(C#N)cc1F)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001106602274 795938363 /nfs/dbraw/zinc/93/83/63/795938363.db2.gz XPHDAZQHFRQKJC-NWDGAFQWSA-N 1 2 344.394 2.001 20 30 EEEDLO C[C@H](CCNc1ncc(C#N)cc1F)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001106602274 795938370 /nfs/dbraw/zinc/93/83/70/795938370.db2.gz XPHDAZQHFRQKJC-NWDGAFQWSA-N 1 2 344.394 2.001 20 30 EEEDLO C[C@H](CC(=O)NCCNc1snc(Cl)c1C#N)n1cc[nH+]c1 ZINC001094167693 795980482 /nfs/dbraw/zinc/98/04/82/795980482.db2.gz JZQIGPSOAFWOSL-SECBINFHSA-N 1 2 338.824 2.044 20 30 EEEDLO C=CCCC1(C(=O)NCC[C@H](C)NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001078218084 796095341 /nfs/dbraw/zinc/09/53/41/796095341.db2.gz ULAIDHNAAZYZKM-HNNXBMFYSA-N 1 2 346.475 2.110 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)C2=CCOCC2)[C@H]1C ZINC000993233080 796132014 /nfs/dbraw/zinc/13/20/14/796132014.db2.gz PLOOORODGOSZTJ-OCCSQVGLSA-N 1 2 343.265 2.211 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)C2=CCOCC2)[C@H]1C ZINC000993233080 796132015 /nfs/dbraw/zinc/13/20/15/796132015.db2.gz PLOOORODGOSZTJ-OCCSQVGLSA-N 1 2 343.265 2.211 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]2C)cn1 ZINC001080801689 796393638 /nfs/dbraw/zinc/39/36/38/796393638.db2.gz FDXNNPDDQOUCIV-SJKOYZFVSA-N 1 2 340.452 2.078 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3csc(C)n3)C[C@H]2C)cn1 ZINC001080801689 796393641 /nfs/dbraw/zinc/39/36/41/796393641.db2.gz FDXNNPDDQOUCIV-SJKOYZFVSA-N 1 2 340.452 2.078 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(CC)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106744534 796432021 /nfs/dbraw/zinc/43/20/21/796432021.db2.gz RUJGYNYZRCVDBN-GOSISDBHSA-N 1 2 334.464 2.496 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2nocc2C)C[C@H]1C ZINC001080851306 796434881 /nfs/dbraw/zinc/43/48/81/796434881.db2.gz BWKBVHXDFBJKKV-RDTXWAMCSA-N 1 2 337.423 2.144 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2nocc2C)C[C@H]1C ZINC001080851306 796434887 /nfs/dbraw/zinc/43/48/87/796434887.db2.gz BWKBVHXDFBJKKV-RDTXWAMCSA-N 1 2 337.423 2.144 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccnc3[nH]cnc32)[C@H]1C ZINC000993387141 796517571 /nfs/dbraw/zinc/51/75/71/796517571.db2.gz XKYCOEHRIZNBOW-DGCLKSJQSA-N 1 2 333.823 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccnc3[nH]cnc32)[C@H]1C ZINC000993387141 796517576 /nfs/dbraw/zinc/51/75/76/796517576.db2.gz XKYCOEHRIZNBOW-DGCLKSJQSA-N 1 2 333.823 2.293 20 30 EEEDLO C#CCOc1ncccc1C(=O)NC1C[NH+](CCc2ccc(C)cc2)C1 ZINC001031276192 796631131 /nfs/dbraw/zinc/63/11/31/796631131.db2.gz OYRWRDMENXXVEH-UHFFFAOYSA-N 1 2 349.434 2.059 20 30 EEEDLO C#Cc1ccc(C(=O)NC2C[NH+](Cc3cccc4cccnc43)C2)nc1 ZINC001031277895 796638871 /nfs/dbraw/zinc/63/88/71/796638871.db2.gz RYLIIYDYMWUQMH-UHFFFAOYSA-N 1 2 342.402 2.225 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C=C1CCC1 ZINC001081520379 796791837 /nfs/dbraw/zinc/79/18/37/796791837.db2.gz RAHNEEBFRMJZOA-QZTJIDSGSA-N 1 2 343.402 2.123 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C=C1CCC1 ZINC001081520379 796791842 /nfs/dbraw/zinc/79/18/42/796791842.db2.gz RAHNEEBFRMJZOA-QZTJIDSGSA-N 1 2 343.402 2.123 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn3cccnc3n2)[C@@H]1C ZINC000993562146 796821747 /nfs/dbraw/zinc/82/17/47/796821747.db2.gz FZMAQZMDCMHZBP-QWHCGFSZSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn3cccnc3n2)[C@@H]1C ZINC000993562146 796821751 /nfs/dbraw/zinc/82/17/51/796821751.db2.gz FZMAQZMDCMHZBP-QWHCGFSZSA-N 1 2 333.823 2.065 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cnco2)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000993644833 796868301 /nfs/dbraw/zinc/86/83/01/796868301.db2.gz OYNZUUVIDRUWTF-WBMJQRKESA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cnco2)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000993644833 796868302 /nfs/dbraw/zinc/86/83/02/796868302.db2.gz OYNZUUVIDRUWTF-WBMJQRKESA-N 1 2 342.374 2.468 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2oc3c(cccc3F)c2C)[C@H](OC)C1 ZINC001081799483 796912540 /nfs/dbraw/zinc/91/25/40/796912540.db2.gz RHXCXKBKJVOLSX-HZPDHXFCSA-N 1 2 344.386 2.333 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2oc3c(cccc3F)c2C)[C@H](OC)C1 ZINC001081799483 796912546 /nfs/dbraw/zinc/91/25/46/796912546.db2.gz RHXCXKBKJVOLSX-HZPDHXFCSA-N 1 2 344.386 2.333 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H](C)C1CCC1 ZINC001081843520 796950593 /nfs/dbraw/zinc/95/05/93/796950593.db2.gz ZMYCSKYGUBHNDL-JCURWCKSSA-N 1 2 347.484 2.371 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H](C)C1CCC1 ZINC001081843520 796950597 /nfs/dbraw/zinc/95/05/97/796950597.db2.gz ZMYCSKYGUBHNDL-JCURWCKSSA-N 1 2 347.484 2.371 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C(C)(C)C1CC1 ZINC001082042122 797114820 /nfs/dbraw/zinc/11/48/20/797114820.db2.gz AEFBRCFWKKBOBW-QZTJIDSGSA-N 1 2 341.455 2.310 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C(C)(C)C1CC1 ZINC001082042122 797114825 /nfs/dbraw/zinc/11/48/25/797114825.db2.gz AEFBRCFWKKBOBW-QZTJIDSGSA-N 1 2 341.455 2.310 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)c2ccc(Cl)cc2)[C@H](OC)C1 ZINC001082088877 797190194 /nfs/dbraw/zinc/19/01/94/797190194.db2.gz CENZJZGXQLNEDT-HZPDHXFCSA-N 1 2 334.847 2.066 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)c2ccc(Cl)cc2)[C@H](OC)C1 ZINC001082088877 797190196 /nfs/dbraw/zinc/19/01/96/797190196.db2.gz CENZJZGXQLNEDT-HZPDHXFCSA-N 1 2 334.847 2.066 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001095038204 797261760 /nfs/dbraw/zinc/26/17/60/797261760.db2.gz XOPBOCLKDJSBIV-KUHUBIRLSA-N 1 2 344.459 2.004 20 30 EEEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccccn1 ZINC001095097147 797341302 /nfs/dbraw/zinc/34/13/02/797341302.db2.gz PGRADHBHBXRFIG-HOJAQTOUSA-N 1 2 331.419 2.468 20 30 EEEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccccn1 ZINC001095097147 797341310 /nfs/dbraw/zinc/34/13/10/797341310.db2.gz PGRADHBHBXRFIG-HOJAQTOUSA-N 1 2 331.419 2.468 20 30 EEEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2sc(CC3CC3)nc2C)[C@H](OC)C1 ZINC001082275846 797395776 /nfs/dbraw/zinc/39/57/76/797395776.db2.gz OOHPGYBDFJAXTN-ZIAGYGMSSA-N 1 2 335.473 2.019 20 30 EEEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2sc(CC3CC3)nc2C)[C@H](OC)C1 ZINC001082275846 797395781 /nfs/dbraw/zinc/39/57/81/797395781.db2.gz OOHPGYBDFJAXTN-ZIAGYGMSSA-N 1 2 335.473 2.019 20 30 EEEDLO Cc1ncc2n1CC[N@H+](C1CCN(C(=O)c3ccc(C#N)cc3)CC1)C2 ZINC001173430769 797456158 /nfs/dbraw/zinc/45/61/58/797456158.db2.gz YQMIXXUHTWNODI-UHFFFAOYSA-N 1 2 349.438 2.184 20 30 EEEDLO Cc1ncc2n1CC[N@@H+](C1CCN(C(=O)c3ccc(C#N)cc3)CC1)C2 ZINC001173430769 797456160 /nfs/dbraw/zinc/45/61/60/797456160.db2.gz YQMIXXUHTWNODI-UHFFFAOYSA-N 1 2 349.438 2.184 20 30 EEEDLO C[C@@H](NCc1cc(C#N)ccc1Br)[C@H]1C[N@H+](C)CCO1 ZINC000921864651 797702518 /nfs/dbraw/zinc/70/25/18/797702518.db2.gz XHBFAHRVMWNSSL-IAQYHMDHSA-N 1 2 338.249 2.129 20 30 EEEDLO C[C@@H](NCc1cc(C#N)ccc1Br)[C@H]1C[N@@H+](C)CCO1 ZINC000921864651 797702523 /nfs/dbraw/zinc/70/25/23/797702523.db2.gz XHBFAHRVMWNSSL-IAQYHMDHSA-N 1 2 338.249 2.129 20 30 EEEDLO N#Cc1cccnc1N[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001095300474 797762857 /nfs/dbraw/zinc/76/28/57/797762857.db2.gz BOALTYIHGDOMSH-INIZCTEOSA-N 1 2 338.415 2.033 20 30 EEEDLO Cc1ccc(C)c(Nc2cnn(CC[NH+]3CCOCC3)c2)c1C#N ZINC001174494107 797770765 /nfs/dbraw/zinc/77/07/65/797770765.db2.gz PHSLJYJPPOVDQO-UHFFFAOYSA-N 1 2 325.416 2.447 20 30 EEEDLO Cc1nc(N2CC[C@@H](NC(=O)C#CC(C)C)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC001112409712 797819663 /nfs/dbraw/zinc/81/96/63/797819663.db2.gz OWQAOKQCXGDRNN-CXAGYDPISA-N 1 2 328.460 2.392 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1C[C@H]2OCCN(C(=O)C=C3CCC3)[C@H]2C1 ZINC001083046802 797841125 /nfs/dbraw/zinc/84/11/25/797841125.db2.gz SJRHPGZENKMWMJ-RBUKOAKNSA-N 1 2 337.423 2.080 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1C[C@H]2OCCN(C(=O)C=C3CCC3)[C@H]2C1 ZINC001083046802 797841131 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CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000494920248 247036978 /nfs/dbraw/zinc/03/69/78/247036978.db2.gz IXJBZAPHEUEDOL-NLWZSEAUSA-N 1 2 349.500 2.299 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000494920248 247036982 /nfs/dbraw/zinc/03/69/82/247036982.db2.gz IXJBZAPHEUEDOL-NLWZSEAUSA-N 1 2 349.500 2.299 20 30 EEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000118835711 221191914 /nfs/dbraw/zinc/19/19/14/221191914.db2.gz MFFDDMJLQPDXCS-INIZCTEOSA-N 1 2 349.438 2.271 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3cccnc3C#N)CC2)cc1F ZINC000273909319 256337631 /nfs/dbraw/zinc/33/76/31/256337631.db2.gz AMHFEBCZRHTFEK-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1nncn1C ZINC000274086101 256352467 /nfs/dbraw/zinc/35/24/67/256352467.db2.gz SSRWALVIYTYQFG-ZJUUUORDSA-N 1 2 332.795 2.018 20 30 EEEDLO C#C[C@H](CCC)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000491568244 533311160 /nfs/dbraw/zinc/31/11/60/533311160.db2.gz PQVQWKDVLHQREB-QZTJIDSGSA-N 1 2 329.444 2.161 20 30 EEEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000354024754 153061857 /nfs/dbraw/zinc/06/18/57/153061857.db2.gz TXNPFZBBMQHIBT-IBGZPJMESA-N 1 2 335.407 2.419 20 30 EEEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000354024754 153061860 /nfs/dbraw/zinc/06/18/60/153061860.db2.gz TXNPFZBBMQHIBT-IBGZPJMESA-N 1 2 335.407 2.419 20 30 EEEDLO N#Cc1ccncc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000345236318 161284404 /nfs/dbraw/zinc/28/44/04/161284404.db2.gz GOPWDDVUKBUVGH-QPJJXVBHSA-N 1 2 332.407 2.424 20 30 EEEDLO N#Cc1cc(F)c(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(F)c1 ZINC000376534208 167346281 /nfs/dbraw/zinc/34/62/81/167346281.db2.gz DZEAXQFVLMJNRB-HOTGVXAUSA-N 1 2 349.381 2.210 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCCSC3)CC2)cc1 ZINC000332547962 270018838 /nfs/dbraw/zinc/01/88/38/270018838.db2.gz NZNHDBZWBOJBDA-QGZVFWFLSA-N 1 2 344.484 2.281 20 30 EEEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000451930487 267258100 /nfs/dbraw/zinc/25/81/00/267258100.db2.gz JIPOUWOIDBYIKD-SNVBAGLBSA-N 1 2 338.820 2.468 20 30 EEEDLO COC(=O)C1([NH2+]CCC(=O)Nc2cccc(C#N)c2)CCCCC1 ZINC000411278741 267357555 /nfs/dbraw/zinc/35/75/55/267357555.db2.gz QGYZGBNLQXCCAY-UHFFFAOYSA-N 1 2 329.400 2.352 20 30 EEEDLO N#Cc1ccc([N+](=O)[O-])c(NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000302201001 268218258 /nfs/dbraw/zinc/21/82/58/268218258.db2.gz HKJXJINYLAUCDO-MRXNPFEDSA-N 1 2 348.428 2.086 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000289734519 268266604 /nfs/dbraw/zinc/26/66/04/268266604.db2.gz DOIKSNDTXFDTEW-OAHLLOKOSA-N 1 2 329.791 2.294 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000289734519 268266606 /nfs/dbraw/zinc/26/66/06/268266606.db2.gz DOIKSNDTXFDTEW-OAHLLOKOSA-N 1 2 329.791 2.294 20 30 EEEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(COc3ccc(C#N)cc3)n2)C1 ZINC000272362374 268961195 /nfs/dbraw/zinc/96/11/95/268961195.db2.gz BPAUMLZCVCMVNY-HNNXBMFYSA-N 1 2 328.372 2.302 20 30 EEEDLO CC(C)[N@H+]1CCO[C@H](c2noc(COc3ccc(C#N)cc3)n2)C1 ZINC000272362374 268961196 /nfs/dbraw/zinc/96/11/96/268961196.db2.gz BPAUMLZCVCMVNY-HNNXBMFYSA-N 1 2 328.372 2.302 20 30 EEEDLO COc1cc(C)[nH+]c(CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000538756411 318044577 /nfs/dbraw/zinc/04/45/77/318044577.db2.gz ZVTGDIVXQODAFJ-UHFFFAOYSA-N 1 2 331.397 2.091 20 30 EEEDLO COC(=O)c1cccc(C[NH2+][C@@H](CO)c2cccc(F)c2)c1C#N ZINC000541952189 318118881 /nfs/dbraw/zinc/11/88/81/318118881.db2.gz SAMLLEZPDUTWLR-KRWDZBQOSA-N 1 2 328.343 2.307 20 30 EEEDLO CC(C)([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1nnc2n1CCCC2 ZINC000563217293 318985327 /nfs/dbraw/zinc/98/53/27/318985327.db2.gz NXDWQOSMCYDYKA-UHFFFAOYSA-N 1 2 340.387 2.419 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)Nc2c[nH+]ccc2N2CCCC2)cc1F ZINC000565893025 319224493 /nfs/dbraw/zinc/22/44/93/319224493.db2.gz UCJOKQHPEQVPGA-UHFFFAOYSA-N 1 2 346.387 2.493 20 30 EEEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000567095643 319347871 /nfs/dbraw/zinc/34/78/71/319347871.db2.gz NGDQYIGSRADSGS-NVXWUHKLSA-N 1 2 335.411 2.446 20 30 EEEDLO Cc1[nH+]c2cc(CNC(=O)[C@H](C)n3cnc(C#N)n3)ccc2n1C1CC1 ZINC000567219579 319359568 /nfs/dbraw/zinc/35/95/68/319359568.db2.gz FTXKRUWZTJQLFA-NSHDSACASA-N 1 2 349.398 2.020 20 30 EEEDLO Cn1cc(C#N)c(NC(=O)NCc2[nH+]ccn2CCc2ccccc2)n1 ZINC000610584925 450268054 /nfs/dbraw/zinc/26/80/54/450268054.db2.gz MGHRAFXBOPOMMA-UHFFFAOYSA-N 1 2 349.398 2.053 20 30 EEEDLO C=CCN(Cc1c[nH+]ccc1OC)S(=O)(=O)c1ccc(OC)cc1 ZINC000341343019 465121355 /nfs/dbraw/zinc/12/13/55/465121355.db2.gz CREIUOTVXFXBOL-UHFFFAOYSA-N 1 2 348.424 2.476 20 30 EEEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ncoc1C1CC1 ZINC000328839415 465144058 /nfs/dbraw/zinc/14/40/58/465144058.db2.gz NUHFVWMDJMLPHY-MRXNPFEDSA-N 1 2 337.445 2.065 20 30 EEEDLO CC[C@H](C(=O)N(CCC#N)Cc1ccco1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339254951 465170173 /nfs/dbraw/zinc/17/01/73/465170173.db2.gz KVJMHWDUHMLRBX-DOTOQJQBSA-N 1 2 333.432 2.411 20 30 EEEDLO CC[C@H](C(=O)N(CCC#N)Cc1ccco1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339254951 465170178 /nfs/dbraw/zinc/17/01/78/465170178.db2.gz KVJMHWDUHMLRBX-DOTOQJQBSA-N 1 2 333.432 2.411 20 30 EEEDLO COc1ccc(C[NH+]2CCN(C(=O)NCC(C)(C)C#N)CC2)cc1F ZINC000358624579 465229422 /nfs/dbraw/zinc/22/94/22/465229422.db2.gz IDVWMARGSYWNMV-UHFFFAOYSA-N 1 2 348.422 2.211 20 30 EEEDLO N#Cc1cc(NCc2cn3cc(Br)ccc3[nH+]2)ccn1 ZINC000341589819 465246805 /nfs/dbraw/zinc/24/68/05/465246805.db2.gz HPSKNOUZMTTZCK-UHFFFAOYSA-N 1 2 328.173 2.397 20 30 EEEDLO CN1CC[N@H+](C)[C@H](CNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000329205190 465267162 /nfs/dbraw/zinc/26/71/62/465267162.db2.gz DIIKLKCMKHHRLY-CQSZACIVSA-N 1 2 347.850 2.281 20 30 EEEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000329205190 465267166 /nfs/dbraw/zinc/26/71/66/465267166.db2.gz DIIKLKCMKHHRLY-CQSZACIVSA-N 1 2 347.850 2.281 20 30 EEEDLO O=C(NCCc1ccc2c(c1)OCCO2)C1([NH+]2CCOCC2)CCC1 ZINC000329299865 465293512 /nfs/dbraw/zinc/29/35/12/465293512.db2.gz MFZPGIJHFIBZOK-UHFFFAOYSA-N 1 2 346.427 2.212 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000298084455 465296760 /nfs/dbraw/zinc/29/67/60/465296760.db2.gz HLPXMKAWBXZETP-CYBMUJFWSA-N 1 2 334.416 2.396 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000298084455 465296763 /nfs/dbraw/zinc/29/67/63/465296763.db2.gz HLPXMKAWBXZETP-CYBMUJFWSA-N 1 2 334.416 2.396 20 30 EEEDLO COc1ccc([C@@H](NC(=O)N(C)C[C@H](C)C#N)c2[nH+]ccn2C)cc1 ZINC000045312273 462576597 /nfs/dbraw/zinc/57/65/97/462576597.db2.gz XLDMSSVZDAGLDE-CZUORRHYSA-N 1 2 341.415 2.319 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000045606320 462601668 /nfs/dbraw/zinc/60/16/68/462601668.db2.gz NSKJHMWJRQCAGR-OAHLLOKOSA-N 1 2 338.411 2.296 20 30 EEEDLO COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000128314618 462627495 /nfs/dbraw/zinc/62/74/95/462627495.db2.gz WMKWPZIFOPKSER-AWEZNQCLSA-N 1 2 338.367 2.190 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2nc(C)cs2)CC1 ZINC000047891387 462833305 /nfs/dbraw/zinc/83/33/05/462833305.db2.gz XPUFGSFDNRQUEI-HNNXBMFYSA-N 1 2 334.489 2.163 20 30 EEEDLO C#CCNC(=O)CC[NH+](Cc1c(C)noc1C)Cc1c(C)noc1C ZINC000491201702 468321406 /nfs/dbraw/zinc/32/14/06/468321406.db2.gz ITXXPBHOQPITOZ-UHFFFAOYSA-N 1 2 344.415 2.038 20 30 EEEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000155242088 462865024 /nfs/dbraw/zinc/86/50/24/462865024.db2.gz LSMPZQQQZWTIRI-GJZGRUSLSA-N 1 2 347.459 2.233 20 30 EEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000155242088 462865029 /nfs/dbraw/zinc/86/50/29/462865029.db2.gz LSMPZQQQZWTIRI-GJZGRUSLSA-N 1 2 347.459 2.233 20 30 EEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000155272044 462868694 /nfs/dbraw/zinc/86/86/94/462868694.db2.gz YCKPHRYIGLVUAT-QGZVFWFLSA-N 1 2 340.452 2.229 20 30 EEEDLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+](CC)C[C@@H](C)C#N ZINC000066424331 462888346 /nfs/dbraw/zinc/88/83/46/462888346.db2.gz TTZNJQDGGZCGIG-HOTGVXAUSA-N 1 2 345.443 2.156 20 30 EEEDLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+](CC)C[C@@H](C)C#N ZINC000066424331 462888350 /nfs/dbraw/zinc/88/83/50/462888350.db2.gz TTZNJQDGGZCGIG-HOTGVXAUSA-N 1 2 345.443 2.156 20 30 EEEDLO CS(=O)(=O)N1CC[C@H](C/[NH+]=C/c2c(O)ccc3ccccc32)C1 ZINC000133092942 462898399 /nfs/dbraw/zinc/89/83/99/462898399.db2.gz DFSFNKCBIUWYQO-VBEHJTROSA-N 1 2 332.425 2.246 20 30 EEEDLO C#CC[N@@H+](Cc1nnc2n1c1ccc(C)cc1c(=O)n2C)C1CCCC1 ZINC000155771073 462941178 /nfs/dbraw/zinc/94/11/78/462941178.db2.gz ZIEZLRBZSCVOMA-UHFFFAOYSA-N 1 2 349.438 2.267 20 30 EEEDLO C#CC[N@H+](Cc1nnc2n1c1ccc(C)cc1c(=O)n2C)C1CCCC1 ZINC000155771073 462941180 /nfs/dbraw/zinc/94/11/80/462941180.db2.gz ZIEZLRBZSCVOMA-UHFFFAOYSA-N 1 2 349.438 2.267 20 30 EEEDLO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000093298564 463023380 /nfs/dbraw/zinc/02/33/80/463023380.db2.gz XXUAWJQSRVRZET-CYBMUJFWSA-N 1 2 349.456 2.469 20 30 EEEDLO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000093298564 463023387 /nfs/dbraw/zinc/02/33/87/463023387.db2.gz XXUAWJQSRVRZET-CYBMUJFWSA-N 1 2 349.456 2.469 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)cc1Cl ZINC000068428427 463134947 /nfs/dbraw/zinc/13/49/47/463134947.db2.gz RXNRUEGFCNHSFK-UHFFFAOYSA-N 1 2 346.862 2.346 20 30 EEEDLO Cc1ccc(C)c(OCCN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000078686899 463139933 /nfs/dbraw/zinc/13/99/33/463139933.db2.gz QBHVKJSBFBHURC-UHFFFAOYSA-N 1 2 331.460 2.230 20 30 EEEDLO N#CCCCCS(=O)(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000068876991 463186139 /nfs/dbraw/zinc/18/61/39/463186139.db2.gz IPOVPMOWBSHUHX-UHFFFAOYSA-N 1 2 332.429 2.045 20 30 EEEDLO N#Cc1ccc(NCc2ccc[nH+]c2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000079094540 463188548 /nfs/dbraw/zinc/18/85/48/463188548.db2.gz YLZWNOBNSMXLII-UHFFFAOYSA-N 1 2 339.355 2.310 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H](O)C2)c1C#N ZINC000029121386 463243139 /nfs/dbraw/zinc/24/31/39/463243139.db2.gz YZPYQLINXRAXCG-MRXNPFEDSA-N 1 2 344.459 2.487 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@@H](O)C2)c1C#N ZINC000029121386 463243140 /nfs/dbraw/zinc/24/31/40/463243140.db2.gz YZPYQLINXRAXCG-MRXNPFEDSA-N 1 2 344.459 2.487 20 30 EEEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)CCOCC1 ZINC000161648181 463445719 /nfs/dbraw/zinc/44/57/19/463445719.db2.gz TYAIZGMGCFSXJO-UHFFFAOYSA-N 1 2 347.846 2.305 20 30 EEEDLO C[C@H]1CN(c2ccc(CNC(=O)C3(C#N)CCCCC3)c[nH+]2)CCO1 ZINC000057388529 463483913 /nfs/dbraw/zinc/48/39/13/463483913.db2.gz VZYGLOYLKMDWJD-HNNXBMFYSA-N 1 2 342.443 2.397 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)C[C@H](C)C(=O)c2cccc(F)c2)CC1 ZINC000073228534 463595633 /nfs/dbraw/zinc/59/56/33/463595633.db2.gz NUEIAOZPHCJDSX-HNNXBMFYSA-N 1 2 330.403 2.202 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000084475258 463606463 /nfs/dbraw/zinc/60/64/63/463606463.db2.gz DPFWMRCVNMZJNM-DNVCBOLYSA-N 1 2 346.450 2.391 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NCc2cn3ccccc3[nH+]2)cc1Cl ZINC000058560673 463608879 /nfs/dbraw/zinc/60/88/79/463608879.db2.gz KJDDLYOCDNVVRC-UHFFFAOYSA-N 1 2 346.799 2.338 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@H](O)C1 ZINC000151967088 463623491 /nfs/dbraw/zinc/62/34/91/463623491.db2.gz BDQAYHIGNWGZIA-RYUDHWBXSA-N 1 2 333.457 2.282 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@H](O)C1 ZINC000151967088 463623497 /nfs/dbraw/zinc/62/34/97/463623497.db2.gz BDQAYHIGNWGZIA-RYUDHWBXSA-N 1 2 333.457 2.282 20 30 EEEDLO C#CC[N@@H+](CN1C(=O)N[C@](C)(C2CC2)C1=O)[C@@H]1CCc2ccccc21 ZINC000193400142 463710561 /nfs/dbraw/zinc/71/05/61/463710561.db2.gz PXXBLXXVNUJTAP-YLJYHZDGSA-N 1 2 337.423 2.287 20 30 EEEDLO C#CC[N@H+](CN1C(=O)N[C@](C)(C2CC2)C1=O)[C@@H]1CCc2ccccc21 ZINC000193400142 463710567 /nfs/dbraw/zinc/71/05/67/463710567.db2.gz PXXBLXXVNUJTAP-YLJYHZDGSA-N 1 2 337.423 2.287 20 30 EEEDLO C[C@H]([C@H](C)NC(=O)Nc1cc(C#N)cn1C(C)(C)C)[NH+]1CCOCC1 ZINC000170919108 463743021 /nfs/dbraw/zinc/74/30/21/463743021.db2.gz NOHSYQJCBNQHOD-UONOGXRCSA-N 1 2 347.463 2.345 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2cccs2)CC1 ZINC000283069063 463752598 /nfs/dbraw/zinc/75/25/98/463752598.db2.gz SNLDXGUNQXXMCQ-UHFFFAOYSA-N 1 2 343.500 2.441 20 30 EEEDLO CC#CCCCC(=O)N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000185565011 463844297 /nfs/dbraw/zinc/84/42/97/463844297.db2.gz DQXCZUGPHRVGOZ-UHFFFAOYSA-N 1 2 330.476 2.476 20 30 EEEDLO COc1ccncc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000287456287 463900869 /nfs/dbraw/zinc/90/08/69/463900869.db2.gz VRILNBDRMVDGRZ-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO N#CCCCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000171730930 463915021 /nfs/dbraw/zinc/91/50/21/463915021.db2.gz JERJMYQXEZIHOV-KRWDZBQOSA-N 1 2 330.432 2.053 20 30 EEEDLO Cc1[nH]nc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1C#N ZINC000278553066 463970630 /nfs/dbraw/zinc/97/06/30/463970630.db2.gz GVJTTXSJEQOTMU-HNNXBMFYSA-N 1 2 327.363 2.332 20 30 EEEDLO Cc1[nH]nc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1C#N ZINC000278553066 463970636 /nfs/dbraw/zinc/97/06/36/463970636.db2.gz GVJTTXSJEQOTMU-HNNXBMFYSA-N 1 2 327.363 2.332 20 30 EEEDLO COc1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)cc1OCCCC#N ZINC000195014911 463976521 /nfs/dbraw/zinc/97/65/21/463976521.db2.gz QAASXILQPVUUMB-IBGZPJMESA-N 1 2 346.427 2.369 20 30 EEEDLO COc1ccc(C[N@H+]2CCOC[C@@]23CCOC3)cc1OCCCC#N ZINC000195014911 463976529 /nfs/dbraw/zinc/97/65/29/463976529.db2.gz QAASXILQPVUUMB-IBGZPJMESA-N 1 2 346.427 2.369 20 30 EEEDLO N#C[C@]1(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)CCc2ccccc2C1 ZINC000186897632 464078476 /nfs/dbraw/zinc/07/84/76/464078476.db2.gz YRPSIMCLBMFVND-FQEVSTJZSA-N 1 2 343.390 2.448 20 30 EEEDLO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1[C@H]1CCCO1 ZINC000289871816 464098837 /nfs/dbraw/zinc/09/88/37/464098837.db2.gz RIDFEBZPHRIYDF-IAGOWNOFSA-N 1 2 348.468 2.221 20 30 EEEDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1[C@H]1CCCO1 ZINC000289871816 464098843 /nfs/dbraw/zinc/09/88/43/464098843.db2.gz RIDFEBZPHRIYDF-IAGOWNOFSA-N 1 2 348.468 2.221 20 30 EEEDLO N#Cc1cnc(NCc2ccc(N3CCOCC3)[nH+]c2)c(Cl)c1 ZINC000263723736 464167053 /nfs/dbraw/zinc/16/70/53/464167053.db2.gz BNBUTLIVQRYRPM-UHFFFAOYSA-N 1 2 329.791 2.450 20 30 EEEDLO Cc1c(Cl)cccc1NC(=O)[C@H](C)O[NH+]=C(N)[C@H]1CCCO1 ZINC000284408367 464182347 /nfs/dbraw/zinc/18/23/47/464182347.db2.gz NLEBKKAGTNTODD-GXFFZTMASA-N 1 2 325.796 2.443 20 30 EEEDLO NC(=[NH+]OCC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000284535826 464234032 /nfs/dbraw/zinc/23/40/32/464234032.db2.gz VHDOQESRQJKTBI-NSHDSACASA-N 1 2 331.294 2.112 20 30 EEEDLO CN(C)[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)c1c[nH+]cn1C ZINC000280784021 464252629 /nfs/dbraw/zinc/25/26/29/464252629.db2.gz CTWSYYHGGRVCNR-QGZVFWFLSA-N 1 2 341.415 2.344 20 30 EEEDLO N#Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cc1 ZINC000280816277 464255357 /nfs/dbraw/zinc/25/53/57/464255357.db2.gz UUFXXCDELJDUIT-UXHICEINSA-N 1 2 347.418 2.284 20 30 EEEDLO N#Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cc1 ZINC000280816277 464255362 /nfs/dbraw/zinc/25/53/62/464255362.db2.gz UUFXXCDELJDUIT-UXHICEINSA-N 1 2 347.418 2.284 20 30 EEEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cc(C#N)cc(N(C)C)c3)n2)C1 ZINC000293138134 464389505 /nfs/dbraw/zinc/38/95/05/464389505.db2.gz JOOAUHXETWDEDE-MRXNPFEDSA-N 1 2 341.415 2.456 20 30 EEEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cc(C#N)cc(N(C)C)c3)n2)C1 ZINC000293138134 464389511 /nfs/dbraw/zinc/38/95/11/464389511.db2.gz JOOAUHXETWDEDE-MRXNPFEDSA-N 1 2 341.415 2.456 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1=O ZINC000281285201 464399426 /nfs/dbraw/zinc/39/94/26/464399426.db2.gz IYWZWAFBVYUAKZ-XJKSGUPXSA-N 1 2 333.407 2.180 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1=O ZINC000281285201 464399430 /nfs/dbraw/zinc/39/94/30/464399430.db2.gz IYWZWAFBVYUAKZ-XJKSGUPXSA-N 1 2 333.407 2.180 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)CN1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000294047922 464430982 /nfs/dbraw/zinc/43/09/82/464430982.db2.gz JEJCSMNIJHSYOX-HZPDHXFCSA-N 1 2 331.464 2.438 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cccc(SC)c2)C1=O ZINC000281397234 464439168 /nfs/dbraw/zinc/43/91/68/464439168.db2.gz QEALJMMRWICXRL-BBRMVZONSA-N 1 2 347.484 2.454 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2cccc(SC)c2)C1=O ZINC000281397234 464439172 /nfs/dbraw/zinc/43/91/72/464439172.db2.gz QEALJMMRWICXRL-BBRMVZONSA-N 1 2 347.484 2.454 20 30 EEEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)C1=O ZINC000281414447 464446210 /nfs/dbraw/zinc/44/62/10/464446210.db2.gz RIJSYTKXELDICM-QGZVFWFLSA-N 1 2 344.846 2.121 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1csc(Cl)c1 ZINC000189216632 464457436 /nfs/dbraw/zinc/45/74/36/464457436.db2.gz JBRWYHHGWCXKFC-UHFFFAOYSA-N 1 2 327.837 2.090 20 30 EEEDLO Cc1sc(NC(=O)C[NH2+][C@@H](c2nncn2C)C(C)C)c(C#N)c1C ZINC000285443673 464567221 /nfs/dbraw/zinc/56/72/21/464567221.db2.gz SAISHGSJISZKNJ-CQSZACIVSA-N 1 2 346.460 2.291 20 30 EEEDLO C#CCCOc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000294799763 464607555 /nfs/dbraw/zinc/60/75/55/464607555.db2.gz BXNHJKXDOJPHNU-GOSISDBHSA-N 1 2 342.439 2.026 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000247280349 464664116 /nfs/dbraw/zinc/66/41/16/464664116.db2.gz STVWVRHUMMFTNJ-AOIWGVFYSA-N 1 2 328.412 2.399 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000247280349 464664121 /nfs/dbraw/zinc/66/41/21/464664121.db2.gz STVWVRHUMMFTNJ-AOIWGVFYSA-N 1 2 328.412 2.399 20 30 EEEDLO C#C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)C(C)C ZINC000282115725 464702458 /nfs/dbraw/zinc/70/24/58/464702458.db2.gz FDEQCRAXHOBDES-ZWKOTPCHSA-N 1 2 329.444 2.017 20 30 EEEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H](C)C#N ZINC000182792422 464729684 /nfs/dbraw/zinc/72/96/84/464729684.db2.gz ORBGZSKSMQVMHK-HNNXBMFYSA-N 1 2 329.448 2.489 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000248637824 464776390 /nfs/dbraw/zinc/77/63/90/464776390.db2.gz YKOIAAASWJMOHP-HKUYNNGSSA-N 1 2 343.471 2.328 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000248637824 464776394 /nfs/dbraw/zinc/77/63/94/464776394.db2.gz YKOIAAASWJMOHP-HKUYNNGSSA-N 1 2 343.471 2.328 20 30 EEEDLO CCc1nsc(N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)n1 ZINC000266595816 464778114 /nfs/dbraw/zinc/77/81/14/464778114.db2.gz OGXLPLCZTXMMPA-UHFFFAOYSA-N 1 2 343.456 2.325 20 30 EEEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)/C=C/c3ccc(C#N)cc3)CC2)S1 ZINC000266659694 464779797 /nfs/dbraw/zinc/77/97/97/464779797.db2.gz GVRFQTQJBOAQGC-UZYOAWRESA-N 1 2 340.452 2.207 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000275643820 464782400 /nfs/dbraw/zinc/78/24/00/464782400.db2.gz AZGLCOPAKPWSPP-HXUWFJFHSA-N 1 2 341.455 2.431 20 30 EEEDLO C#CCCOc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000295317336 464785957 /nfs/dbraw/zinc/78/59/57/464785957.db2.gz PJDXPNQCLGYOGK-SJLPKXTDSA-N 1 2 342.439 2.024 20 30 EEEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191210275 464798407 /nfs/dbraw/zinc/79/84/07/464798407.db2.gz ZPZBZGFWCPQDOG-CYBMUJFWSA-N 1 2 331.441 2.493 20 30 EEEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191210275 464798412 /nfs/dbraw/zinc/79/84/12/464798412.db2.gz ZPZBZGFWCPQDOG-CYBMUJFWSA-N 1 2 331.441 2.493 20 30 EEEDLO C=CCOc1ccc(CNC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000286261815 464858912 /nfs/dbraw/zinc/85/89/12/464858912.db2.gz CXNFIZBIPDTHRE-UHFFFAOYSA-N 1 2 347.459 2.161 20 30 EEEDLO CC[C@@H](CC#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000183795991 464911340 /nfs/dbraw/zinc/91/13/40/464911340.db2.gz KCCMFAOVGZQSBE-ZBFHGGJFSA-N 1 2 332.423 2.145 20 30 EEEDLO COCCCOC1CC[NH+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000177126812 464937558 /nfs/dbraw/zinc/93/75/58/464937558.db2.gz MMLKJRJMTPCCRT-GOSISDBHSA-N 1 2 346.427 2.290 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1C(=O)OCC ZINC000184540357 464993458 /nfs/dbraw/zinc/99/34/58/464993458.db2.gz IBJRBSLKPQULGR-SJORKVTESA-N 1 2 333.428 2.182 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1C(=O)OCC ZINC000184540357 464993465 /nfs/dbraw/zinc/99/34/65/464993465.db2.gz IBJRBSLKPQULGR-SJORKVTESA-N 1 2 333.428 2.182 20 30 EEEDLO CC(C)(C)c1nc(CN2CC[NH+](CC(=O)NC3CCCC3)CC2)no1 ZINC000329755921 465424403 /nfs/dbraw/zinc/42/44/03/465424403.db2.gz LWZIVXUMRBOVQL-UHFFFAOYSA-N 1 2 349.479 2.384 20 30 EEEDLO COc1cc2c(cc1NC(=O)N1CCn3cc[nH+]c3C1)NC(=O)CC2 ZINC000329833714 465447554 /nfs/dbraw/zinc/44/75/54/465447554.db2.gz LKBKQYMOEABZAY-UHFFFAOYSA-N 1 2 341.371 2.487 20 30 EEEDLO C=CCn1c(CC(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000337837149 465616674 /nfs/dbraw/zinc/61/66/74/465616674.db2.gz CQYZJTWEHOGJPJ-UHFFFAOYSA-N 1 2 326.448 2.384 20 30 EEEDLO C#CCC[NH+]1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000299209838 465649083 /nfs/dbraw/zinc/64/90/83/465649083.db2.gz BTFIOIFMIATVHZ-UHFFFAOYSA-N 1 2 342.830 2.031 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000299284059 465682043 /nfs/dbraw/zinc/68/20/43/465682043.db2.gz CYSDTABJJOSTOJ-AEFFLSMTSA-N 1 2 332.444 2.157 20 30 EEEDLO N#CC[C@H](CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000366378651 465691959 /nfs/dbraw/zinc/69/19/59/465691959.db2.gz RWTIDSKJJZPSBS-MOPGFXCFSA-N 1 2 341.455 2.397 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000299549985 465795535 /nfs/dbraw/zinc/79/55/35/465795535.db2.gz SGGYABKCGORLNK-ZWKOTPCHSA-N 1 2 345.418 2.004 20 30 EEEDLO N#Cc1cnn(-c2ccc(C(=O)N3CCC[C@H]3c3[nH]cc[nH+]3)cc2)c1N ZINC000371443207 465797031 /nfs/dbraw/zinc/79/70/31/465797031.db2.gz OMOMVXHEWZBDRV-HNNXBMFYSA-N 1 2 347.382 2.027 20 30 EEEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362591521 465859841 /nfs/dbraw/zinc/85/98/41/465859841.db2.gz KZUKSFSZBQPNBI-HNNXBMFYSA-N 1 2 349.456 2.076 20 30 EEEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362591521 465859846 /nfs/dbraw/zinc/85/98/46/465859846.db2.gz KZUKSFSZBQPNBI-HNNXBMFYSA-N 1 2 349.456 2.076 20 30 EEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000301398257 465955738 /nfs/dbraw/zinc/95/57/38/465955738.db2.gz HLBACALTTMIOSK-AWEZNQCLSA-N 1 2 344.434 2.267 20 30 EEEDLO C=CCNC(=O)CNc1c(C(=O)OCC)c[nH+]c2c(C)cc(C)cc12 ZINC000346213563 465998800 /nfs/dbraw/zinc/99/88/00/465998800.db2.gz SBEDQDWMYBUASN-UHFFFAOYSA-N 1 2 341.411 2.164 20 30 EEEDLO N#Cc1cc(Br)ccc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000340808138 466352708 /nfs/dbraw/zinc/35/27/08/466352708.db2.gz WVVGRCHNXVOBBS-UHFFFAOYSA-N 1 2 346.232 2.366 20 30 EEEDLO Cc1c[nH]c(CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)[nH+]1 ZINC000600179509 468486983 /nfs/dbraw/zinc/48/69/83/468486983.db2.gz APAYGSXUHRKBFQ-UHFFFAOYSA-N 1 2 347.426 2.302 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000332308810 466500239 /nfs/dbraw/zinc/50/02/39/466500239.db2.gz SFCWQIUCASAUHH-HLLBOEOZSA-N 1 2 327.432 2.162 20 30 EEEDLO CCCCC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000374504925 466655813 /nfs/dbraw/zinc/65/58/13/466655813.db2.gz LWHGPJLPCKBSSN-INIZCTEOSA-N 1 2 343.475 2.160 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1C ZINC000368949965 466707045 /nfs/dbraw/zinc/70/70/45/466707045.db2.gz KVAHXONJGVLMDL-MPGHIAIKSA-N 1 2 329.444 2.059 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1C ZINC000368949965 466707053 /nfs/dbraw/zinc/70/70/53/466707053.db2.gz KVAHXONJGVLMDL-MPGHIAIKSA-N 1 2 329.444 2.059 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000411182846 466778906 /nfs/dbraw/zinc/77/89/06/466778906.db2.gz XLXVPHVJTKHCKN-ZDUSSCGKSA-N 1 2 342.447 2.278 20 30 EEEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000411182846 466778911 /nfs/dbraw/zinc/77/89/11/466778911.db2.gz XLXVPHVJTKHCKN-ZDUSSCGKSA-N 1 2 342.447 2.278 20 30 EEEDLO N#CC1(C(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)CCC1 ZINC000373560604 466846221 /nfs/dbraw/zinc/84/62/21/466846221.db2.gz GMQDZWUVAWSPHF-UHFFFAOYSA-N 1 2 338.333 2.443 20 30 EEEDLO COc1cc(OC)cc(N2CC[C@H](Nc3cc(C)[nH+]cc3C#N)C2)c1 ZINC000425222741 467089439 /nfs/dbraw/zinc/08/94/39/467089439.db2.gz BATSYAJMSZKUEF-HNNXBMFYSA-N 1 2 338.411 2.392 20 30 EEEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000428250663 467216111 /nfs/dbraw/zinc/21/61/11/467216111.db2.gz RGBNVQSTETYUPR-MRXNPFEDSA-N 1 2 333.432 2.237 20 30 EEEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000428250663 467216115 /nfs/dbraw/zinc/21/61/15/467216115.db2.gz RGBNVQSTETYUPR-MRXNPFEDSA-N 1 2 333.432 2.237 20 30 EEEDLO CN(CC(C)(C)C#N)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000432150405 467220137 /nfs/dbraw/zinc/22/01/37/467220137.db2.gz MGZCNMSWVBRKMC-UHFFFAOYSA-N 1 2 332.404 2.413 20 30 EEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000432986746 467281419 /nfs/dbraw/zinc/28/14/19/467281419.db2.gz BBRYVZMLDSOFHR-ZDUSSCGKSA-N 1 2 329.425 2.399 20 30 EEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000432986746 467281423 /nfs/dbraw/zinc/28/14/23/467281423.db2.gz BBRYVZMLDSOFHR-ZDUSSCGKSA-N 1 2 329.425 2.399 20 30 EEEDLO COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)CC(C)(C)C#N)C2=O)c1 ZINC000433314217 467317792 /nfs/dbraw/zinc/31/77/92/467317792.db2.gz UMXKECZOBCWDGG-MRXNPFEDSA-N 1 2 331.416 2.291 20 30 EEEDLO COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)CC(C)(C)C#N)C2=O)c1 ZINC000433314217 467317794 /nfs/dbraw/zinc/31/77/94/467317794.db2.gz UMXKECZOBCWDGG-MRXNPFEDSA-N 1 2 331.416 2.291 20 30 EEEDLO C=CCCCNC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000441128957 467571645 /nfs/dbraw/zinc/57/16/45/467571645.db2.gz FMNGHNJCSBMZFP-KRWDZBQOSA-N 1 2 325.453 2.058 20 30 EEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)c2sccc2C#N)C1 ZINC000442825074 467577977 /nfs/dbraw/zinc/57/79/77/467577977.db2.gz HZBKVLDMQYMKBY-QGZVFWFLSA-N 1 2 349.456 2.156 20 30 EEEDLO COc1cc(C[NH+]2CCN(C(=O)NC(C)(C)C)CC2)ccc1C#N ZINC000442836133 467578122 /nfs/dbraw/zinc/57/81/22/467578122.db2.gz GPSQKUQBKPFQPH-UHFFFAOYSA-N 1 2 330.432 2.193 20 30 EEEDLO N#CC1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447804871 467588759 /nfs/dbraw/zinc/58/87/59/467588759.db2.gz HAGWAEDAUXTNTD-UHFFFAOYSA-N 1 2 330.388 2.167 20 30 EEEDLO C[C@@H](CC(=O)c1ccccc1F)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000525210069 467641787 /nfs/dbraw/zinc/64/17/87/467641787.db2.gz QAEHMTSTMZGXQP-ZDUSSCGKSA-N 1 2 331.391 2.139 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000457556224 467650230 /nfs/dbraw/zinc/65/02/30/467650230.db2.gz NVYLYJRNLVLUNJ-QGZVFWFLSA-N 1 2 328.416 2.058 20 30 EEEDLO COc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1C#N ZINC000449604743 467669952 /nfs/dbraw/zinc/66/99/52/467669952.db2.gz UJNCRDPJYHFHSL-AWEZNQCLSA-N 1 2 337.370 2.303 20 30 EEEDLO COc1ccc(C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1C#N ZINC000449604743 467669954 /nfs/dbraw/zinc/66/99/54/467669954.db2.gz UJNCRDPJYHFHSL-AWEZNQCLSA-N 1 2 337.370 2.303 20 30 EEEDLO C=CCC[C@@H]([NH2+]Cc1cn(C)nc1-c1ccncc1)C(=O)OCC ZINC000449654748 467679297 /nfs/dbraw/zinc/67/92/97/467679297.db2.gz FNLUHQKVMZNXPX-MRXNPFEDSA-N 1 2 328.416 2.470 20 30 EEEDLO CC(C)(C#N)c1ccccc1C[NH+]1CCN(S(=O)(=O)C2CC2)CC1 ZINC000528610065 467712404 /nfs/dbraw/zinc/71/24/04/467712404.db2.gz KEEKDZWFVIJVOT-UHFFFAOYSA-N 1 2 347.484 2.098 20 30 EEEDLO CCOc1ccc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1OC ZINC000493465462 467916830 /nfs/dbraw/zinc/91/68/30/467916830.db2.gz QVOVAIGBSDOWGX-IZTUGPKFSA-N 1 2 331.416 2.067 20 30 EEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000459371717 467956115 /nfs/dbraw/zinc/95/61/15/467956115.db2.gz GZBYJLWJRBBSDB-GOSISDBHSA-N 1 2 349.438 2.442 20 30 EEEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000472330468 467985968 /nfs/dbraw/zinc/98/59/68/467985968.db2.gz UWQXFTAPUGAXEB-MSOLQXFVSA-N 1 2 342.443 2.218 20 30 EEEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000472330468 467985970 /nfs/dbraw/zinc/98/59/70/467985970.db2.gz UWQXFTAPUGAXEB-MSOLQXFVSA-N 1 2 342.443 2.218 20 30 EEEDLO CC[C@H]1C[N@H+](CCNC(=O)N[C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000488348780 468082862 /nfs/dbraw/zinc/08/28/62/468082862.db2.gz OFZAUZXQQCONQP-YOEHRIQHSA-N 1 2 330.432 2.029 20 30 EEEDLO CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000488348780 468082864 /nfs/dbraw/zinc/08/28/64/468082864.db2.gz OFZAUZXQQCONQP-YOEHRIQHSA-N 1 2 330.432 2.029 20 30 EEEDLO C[C@H](CCC#N)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496255888 468126528 /nfs/dbraw/zinc/12/65/28/468126528.db2.gz RJLHKFLEMWTXOP-HZPDHXFCSA-N 1 2 336.480 2.306 20 30 EEEDLO CC(C)CC(=O)Nc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1F ZINC000575410153 468142859 /nfs/dbraw/zinc/14/28/59/468142859.db2.gz JSKQPWLJALONRE-GOSISDBHSA-N 1 2 348.422 2.384 20 30 EEEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000566429497 468152178 /nfs/dbraw/zinc/15/21/78/468152178.db2.gz WEMCUAKFPUFGDA-ZIAGYGMSSA-N 1 2 328.416 2.422 20 30 EEEDLO CC(=O)NCC[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000576277074 468163145 /nfs/dbraw/zinc/16/31/45/468163145.db2.gz MFFHLNPBOYPUIP-ZDUSSCGKSA-N 1 2 348.472 2.087 20 30 EEEDLO CC(=O)NCC[N@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000576277074 468163150 /nfs/dbraw/zinc/16/31/50/468163150.db2.gz MFFHLNPBOYPUIP-ZDUSSCGKSA-N 1 2 348.472 2.087 20 30 EEEDLO C#CC[N@@H+](Cn1cc(C)n(-c2cc(C)on2)c1=O)C1CCCCC1 ZINC000490590106 468222395 /nfs/dbraw/zinc/22/23/95/468222395.db2.gz NOTKQJKERKABJT-UHFFFAOYSA-N 1 2 328.416 2.469 20 30 EEEDLO C#CC[N@H+](Cn1cc(C)n(-c2cc(C)on2)c1=O)C1CCCCC1 ZINC000490590106 468222397 /nfs/dbraw/zinc/22/23/97/468222397.db2.gz NOTKQJKERKABJT-UHFFFAOYSA-N 1 2 328.416 2.469 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1c(Cl)cccc1Cl ZINC000567995519 468253339 /nfs/dbraw/zinc/25/33/39/468253339.db2.gz MVJKMZBSWGEMKT-AWEZNQCLSA-N 1 2 330.215 2.332 20 30 EEEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000490839568 468256039 /nfs/dbraw/zinc/25/60/39/468256039.db2.gz IRMHQBWAJGADAW-UHFFFAOYSA-N 1 2 338.451 2.153 20 30 EEEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000490839568 468256042 /nfs/dbraw/zinc/25/60/42/468256042.db2.gz IRMHQBWAJGADAW-UHFFFAOYSA-N 1 2 338.451 2.153 20 30 EEEDLO N#CC1(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)CCC1 ZINC000583074460 468639829 /nfs/dbraw/zinc/63/98/29/468639829.db2.gz ARABWACOVYTGKF-CQSZACIVSA-N 1 2 348.472 2.114 20 30 EEEDLO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)c2[nH+]ccn21 ZINC000570790508 468692522 /nfs/dbraw/zinc/69/25/22/468692522.db2.gz WBJYHQOOOMWKNC-JOYOIKCWSA-N 1 2 336.804 2.392 20 30 EEEDLO C[C@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC2(CCC2)O1 ZINC000570799385 468694415 /nfs/dbraw/zinc/69/44/15/468694415.db2.gz ZUTRDBMVAQVUSW-YOEHRIQHSA-N 1 2 325.412 2.307 20 30 EEEDLO C[C@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC2(CCC2)O1 ZINC000570799385 468694421 /nfs/dbraw/zinc/69/44/21/468694421.db2.gz ZUTRDBMVAQVUSW-YOEHRIQHSA-N 1 2 325.412 2.307 20 30 EEEDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cn(CCCC#N)nn2)CC1 ZINC000600967952 468700723 /nfs/dbraw/zinc/70/07/23/468700723.db2.gz LFUJQDWAAIODAR-UHFFFAOYSA-N 1 2 333.436 2.136 20 30 EEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC000583539303 468710321 /nfs/dbraw/zinc/71/03/21/468710321.db2.gz OKSGMVRGLUDYBS-SFHVURJKSA-N 1 2 333.391 2.338 20 30 EEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC000583539303 468710326 /nfs/dbraw/zinc/71/03/26/468710326.db2.gz OKSGMVRGLUDYBS-SFHVURJKSA-N 1 2 333.391 2.338 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2c(c1)CCC=C2 ZINC000560235969 468775363 /nfs/dbraw/zinc/77/53/63/468775363.db2.gz NEMOIYKKFXSPAD-UHFFFAOYSA-N 1 2 339.439 2.334 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCn2c[nH+]cc2C1 ZINC000595494611 468875125 /nfs/dbraw/zinc/87/51/25/468875125.db2.gz LAXVZCBJZKTCMR-AWEZNQCLSA-N 1 2 341.390 2.173 20 30 EEEDLO N#Cc1ccc(CCNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000595571077 468906008 /nfs/dbraw/zinc/90/60/08/468906008.db2.gz UBNFTBQFXPFPST-QGZVFWFLSA-N 1 2 335.411 2.074 20 30 EEEDLO CC1CCC(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)CC1 ZINC000584793696 468938203 /nfs/dbraw/zinc/93/82/03/468938203.db2.gz UQOYXIFBBBODJL-UHFFFAOYSA-N 1 2 329.444 2.378 20 30 EEEDLO CC[C@H](C#N)C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000593395427 468961293 /nfs/dbraw/zinc/96/12/93/468961293.db2.gz VNFCKYWDFZXVNX-CQSZACIVSA-N 1 2 335.835 2.413 20 30 EEEDLO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1cn[nH]c1 ZINC000610735702 469055066 /nfs/dbraw/zinc/05/50/66/469055066.db2.gz FYAKKPIMQPRTPO-UHFFFAOYSA-N 1 2 331.807 2.442 20 30 EEEDLO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1cn[nH]c1 ZINC000610735702 469055069 /nfs/dbraw/zinc/05/50/69/469055069.db2.gz FYAKKPIMQPRTPO-UHFFFAOYSA-N 1 2 331.807 2.442 20 30 EEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)CCCCCC#N)CC1 ZINC000588149424 469122493 /nfs/dbraw/zinc/12/24/93/469122493.db2.gz HBPZRKUNMWJHIA-KRWDZBQOSA-N 1 2 348.491 2.006 20 30 EEEDLO N#Cc1ccccc1NC1CC[NH+](Cc2ncnn2CCF)CC1 ZINC000602895529 469152196 /nfs/dbraw/zinc/15/21/96/469152196.db2.gz PYCABJCOTGEPHR-UHFFFAOYSA-N 1 2 328.395 2.196 20 30 EEEDLO Cc1n[nH]cc1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000602941199 469179558 /nfs/dbraw/zinc/17/95/58/469179558.db2.gz HBKSNSBIMNJXEO-HNNXBMFYSA-N 1 2 325.416 2.485 20 30 EEEDLO Cc1n[nH]cc1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000602941199 469179567 /nfs/dbraw/zinc/17/95/67/469179567.db2.gz HBKSNSBIMNJXEO-HNNXBMFYSA-N 1 2 325.416 2.485 20 30 EEEDLO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1nc(C(C)(C)C)no1 ZINC000599370531 469231695 /nfs/dbraw/zinc/23/16/95/469231695.db2.gz JJJVYXFRFLRGEO-OCCSQVGLSA-N 1 2 344.415 2.329 20 30 EEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000599420487 469249449 /nfs/dbraw/zinc/24/94/49/469249449.db2.gz DCQLMEXCTVQTTR-TXKKKEFDSA-N 1 2 329.448 2.087 20 30 EEEDLO COCCOc1ccc(C#N)cc1NC(=O)CCCn1cc[nH+]c1 ZINC000612206615 469414886 /nfs/dbraw/zinc/41/48/86/469414886.db2.gz WJEXSNRVNKWUNI-UHFFFAOYSA-N 1 2 328.372 2.199 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000609484635 469931713 /nfs/dbraw/zinc/93/17/13/469931713.db2.gz DIBGMUQGKOMMLB-XWTMOSNGSA-N 1 2 334.508 2.045 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000609538658 469937269 /nfs/dbraw/zinc/93/72/69/469937269.db2.gz MSFICYKUWRSDQS-GOSISDBHSA-N 1 2 332.492 2.086 20 30 EEEDLO C=CCCn1cc(C[NH+]2CCC(C(=O)N(C)CCCC)CC2)nn1 ZINC000653498885 471641706 /nfs/dbraw/zinc/64/17/06/471641706.db2.gz QMBBXFWRPPMZSY-UHFFFAOYSA-N 1 2 333.480 2.325 20 30 EEEDLO CCC#C[C@H](C)[NH+]1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000680387990 485958362 /nfs/dbraw/zinc/95/83/62/485958362.db2.gz FJAXBMFKSHBXJL-YOEHRIQHSA-N 1 2 333.863 2.286 20 30 EEEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000291482750 534257224 /nfs/dbraw/zinc/25/72/24/534257224.db2.gz QKJICMUGSFYBCF-CRAIPNDOSA-N 1 2 339.439 2.177 20 30 EEEDLO C=CCOCC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000353303873 526711116 /nfs/dbraw/zinc/71/11/16/526711116.db2.gz CNMYAXKZUNMYTA-UHFFFAOYSA-N 1 2 338.205 2.224 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179495522 527634499 /nfs/dbraw/zinc/63/44/99/527634499.db2.gz PQXQNAPRUQZCGO-HOCLYGCPSA-N 1 2 343.475 2.451 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179495522 527634504 /nfs/dbraw/zinc/63/45/04/527634504.db2.gz PQXQNAPRUQZCGO-HOCLYGCPSA-N 1 2 343.475 2.451 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(OC)c2)nc1 ZINC000728803287 576530979 /nfs/dbraw/zinc/53/09/79/576530979.db2.gz WYPYATYQCQHIPT-SFHVURJKSA-N 1 2 346.390 2.324 20 30 EEEDLO CC[C@@H](C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1)[NH+](CC)CC ZINC000741032091 577019763 /nfs/dbraw/zinc/01/97/63/577019763.db2.gz ACXXZCLTCNSMBR-OLZOCXBDSA-N 1 2 337.445 2.291 20 30 EEEDLO N#CC1(C(=O)NCc2ccc[nH+]c2N2CCCCC2)CCOCC1 ZINC000731485339 577103409 /nfs/dbraw/zinc/10/34/09/577103409.db2.gz ALMIMXJVBSHJTP-UHFFFAOYSA-N 1 2 328.416 2.008 20 30 EEEDLO C[N@H+](CCOCc1ccccc1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766634413 577522473 /nfs/dbraw/zinc/52/24/73/577522473.db2.gz VLPRAMDFGFKWRX-UHFFFAOYSA-N 1 2 337.423 2.315 20 30 EEEDLO C[N@@H+](CCOCc1ccccc1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766634413 577522474 /nfs/dbraw/zinc/52/24/74/577522474.db2.gz VLPRAMDFGFKWRX-UHFFFAOYSA-N 1 2 337.423 2.315 20 30 EEEDLO COc1cc2cc[nH+]cc2cc1OS(=O)(=O)c1cccnc1C#N ZINC000758135940 577616669 /nfs/dbraw/zinc/61/66/69/577616669.db2.gz KQLFNJLLQGTXFA-UHFFFAOYSA-N 1 2 341.348 2.278 20 30 EEEDLO C#C[C@H](NC(=O)N(C)CCCc1[nH+]ccn1CCC)[C@@H]1CCCO1 ZINC000759150396 577638024 /nfs/dbraw/zinc/63/80/24/577638024.db2.gz UBHBDHMSQPSXKO-HOTGVXAUSA-N 1 2 332.448 2.048 20 30 EEEDLO C(=[NH+]Nc1ccc(-n2ccnc2)nn1)c1ccc(N2CCCC2)nc1 ZINC000761837844 577689868 /nfs/dbraw/zinc/68/98/68/577689868.db2.gz XAJQYEMOASKCEF-UHFFFAOYSA-N 1 2 334.387 2.104 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=S)NCC(F)(F)F)CC2)cc1 ZINC000750978929 577746193 /nfs/dbraw/zinc/74/61/93/577746193.db2.gz APSFKGKWDOEBLI-UHFFFAOYSA-N 1 2 342.390 2.113 20 30 EEEDLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000751666849 577757155 /nfs/dbraw/zinc/75/71/55/577757155.db2.gz JBKNDLUTQYHVIT-UONOGXRCSA-N 1 2 347.440 2.143 20 30 EEEDLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000751666849 577757156 /nfs/dbraw/zinc/75/71/56/577757156.db2.gz JBKNDLUTQYHVIT-UONOGXRCSA-N 1 2 347.440 2.143 20 30 EEEDLO CC(=O)OC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000753188576 577782932 /nfs/dbraw/zinc/78/29/32/577782932.db2.gz OJJYYHOFSCAEAL-UHFFFAOYSA-N 1 2 347.440 2.268 20 30 EEEDLO C#C[C@H](CC)NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000753261851 577784074 /nfs/dbraw/zinc/78/40/74/577784074.db2.gz RLDLTZGRZMNKMB-OAHLLOKOSA-N 1 2 328.460 2.432 20 30 EEEDLO C#C[C@H](CC)NC(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000753261851 577784075 /nfs/dbraw/zinc/78/40/75/577784075.db2.gz RLDLTZGRZMNKMB-OAHLLOKOSA-N 1 2 328.460 2.432 20 30 EEEDLO COc1ccc(C2N=NC(=S)N2N=Cc2[nH+]c[nH]c2C)c(OC)c1 ZINC000755598373 577827581 /nfs/dbraw/zinc/82/75/81/577827581.db2.gz IEQMGYDXFKVPMY-UHFFFAOYSA-N 1 2 344.400 2.165 20 30 EEEDLO C[C@@H](C=NNC(=S)NCC[NH+]1CCOCC1)CCc1ccccc1 ZINC000749156682 577971830 /nfs/dbraw/zinc/97/18/30/577971830.db2.gz KGMGUBGEHDBTBT-MRXNPFEDSA-N 1 2 348.516 2.037 20 30 EEEDLO Cc1cc(C(=O)N[C@H](C)C2C[NH+](Cc3cc(C#N)ccc3F)C2)no1 ZINC000969263771 674764422 /nfs/dbraw/zinc/76/44/22/674764422.db2.gz PJYNZKITPFPHFJ-GFCCVEGCSA-N 1 2 342.374 2.244 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c[nH]cc2-c2cnn(C)c2)C1 ZINC000969656249 675150844 /nfs/dbraw/zinc/15/08/44/675150844.db2.gz FGPJIAPSFCTARV-LBPRGKRZSA-N 1 2 347.850 2.218 20 30 EEEDLO C[C@H](NC(=O)[C@H]1CC12CC2)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970495305 675937094 /nfs/dbraw/zinc/93/70/94/675937094.db2.gz NOLXIYBSUDQWNU-BLLLJJGKSA-N 1 2 327.403 2.434 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cn3c(n2)CC[C@@H](C)C3)C1 ZINC000969959746 675341689 /nfs/dbraw/zinc/34/16/89/675341689.db2.gz WGMIXZXSDAEQFY-YPMHNXCESA-N 1 2 336.867 2.268 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)C2C[NH+](Cc3ccc(OC)nn3)C2)CC1 ZINC000970375872 675831239 /nfs/dbraw/zinc/83/12/39/675831239.db2.gz IDXHIEGHRWVPHB-AWEZNQCLSA-N 1 2 344.459 2.168 20 30 EEEDLO CCc1ncoc1C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970396911 675850432 /nfs/dbraw/zinc/85/04/32/675850432.db2.gz YZZQHOPPJLQZQW-ZDUSSCGKSA-N 1 2 338.411 2.359 20 30 EEEDLO Cn1cccc1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971087305 676361731 /nfs/dbraw/zinc/36/17/31/676361731.db2.gz UYENZBKLIIIJOK-QGZVFWFLSA-N 1 2 340.402 2.382 20 30 EEEDLO Cn1cccc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971087305 676361733 /nfs/dbraw/zinc/36/17/33/676361733.db2.gz UYENZBKLIIIJOK-QGZVFWFLSA-N 1 2 340.402 2.382 20 30 EEEDLO CCc1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(C#N)s3)C2)n[nH]1 ZINC000971115995 676386155 /nfs/dbraw/zinc/38/61/55/676386155.db2.gz GIPKSECCVOXGLD-CYBMUJFWSA-N 1 2 343.456 2.252 20 30 EEEDLO CCc1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(C#N)s3)C2)n[nH]1 ZINC000971115995 676386157 /nfs/dbraw/zinc/38/61/57/676386157.db2.gz GIPKSECCVOXGLD-CYBMUJFWSA-N 1 2 343.456 2.252 20 30 EEEDLO NC(CCO)=[NH+]OCc1ncc(-c2ccccc2Br)o1 ZINC000121366495 676556698 /nfs/dbraw/zinc/55/66/98/676556698.db2.gz ULAMFTHTECTFDZ-UHFFFAOYSA-N 1 2 340.177 2.275 20 30 EEEDLO C[N@H+](Cc1cc(-c2ccco2)on1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971508498 676604986 /nfs/dbraw/zinc/60/49/86/676604986.db2.gz NLSMFRIDCBYEOD-MRXNPFEDSA-N 1 2 339.395 2.381 20 30 EEEDLO C[N@@H+](Cc1cc(-c2ccco2)on1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971508498 676604987 /nfs/dbraw/zinc/60/49/87/676604987.db2.gz NLSMFRIDCBYEOD-MRXNPFEDSA-N 1 2 339.395 2.381 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001038213389 676616991 /nfs/dbraw/zinc/61/69/91/676616991.db2.gz ANEOXMYTMHJWEE-ILXRZTDVSA-N 1 2 349.381 2.159 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001038213389 676616993 /nfs/dbraw/zinc/61/69/93/676616993.db2.gz ANEOXMYTMHJWEE-ILXRZTDVSA-N 1 2 349.381 2.159 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(CC)o2)C1 ZINC000971555594 676623393 /nfs/dbraw/zinc/62/33/93/676623393.db2.gz HBGHLNSENIRKQP-UAGQMJEPSA-N 1 2 347.459 2.251 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(CC)o2)C1 ZINC000971555594 676623395 /nfs/dbraw/zinc/62/33/95/676623395.db2.gz HBGHLNSENIRKQP-UAGQMJEPSA-N 1 2 347.459 2.251 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@H+](C)Cc2snnc2C)C1 ZINC000971687641 676738439 /nfs/dbraw/zinc/73/84/39/676738439.db2.gz NISLAPMMKWNZJD-CQSZACIVSA-N 1 2 345.472 2.181 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2snnc2C)C1 ZINC000971687641 676738442 /nfs/dbraw/zinc/73/84/42/676738442.db2.gz NISLAPMMKWNZJD-CQSZACIVSA-N 1 2 345.472 2.181 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)cn2)C1 ZINC000971688213 676738911 /nfs/dbraw/zinc/73/89/11/676738911.db2.gz UCSJBYICGRYSHR-INIZCTEOSA-N 1 2 339.443 2.119 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)cn2)C1 ZINC000971688213 676738913 /nfs/dbraw/zinc/73/89/13/676738913.db2.gz UCSJBYICGRYSHR-INIZCTEOSA-N 1 2 339.443 2.119 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC000971758450 676780738 /nfs/dbraw/zinc/78/07/38/676780738.db2.gz GPCWYAVVEYQTHX-QWRGUYRKSA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC000971758450 676780740 /nfs/dbraw/zinc/78/07/40/676780740.db2.gz GPCWYAVVEYQTHX-QWRGUYRKSA-N 1 2 337.208 2.473 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(=C)Br)C1 ZINC000972374639 678619146 /nfs/dbraw/zinc/61/91/46/678619146.db2.gz VMPIVKZSFSXZBW-MCIONIFRSA-N 1 2 343.265 2.019 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(=C)Br)C1 ZINC000972374639 678619149 /nfs/dbraw/zinc/61/91/49/678619149.db2.gz VMPIVKZSFSXZBW-MCIONIFRSA-N 1 2 343.265 2.019 20 30 EEEDLO Cc1nc(N2CCC[C@H](N(C)C(=O)c3ccc(C#N)[nH]3)CC2)cc[nH+]1 ZINC001067593637 678732425 /nfs/dbraw/zinc/73/24/25/678732425.db2.gz SHYMVAAQUQIVKI-HNNXBMFYSA-N 1 2 338.415 2.116 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc4cccnc43)C2)C1 ZINC000972453057 678770598 /nfs/dbraw/zinc/77/05/98/678770598.db2.gz ICTPGYJKHUPYFK-OAQYLSRUSA-N 1 2 349.434 2.175 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc4cccnc43)C2)C1 ZINC000972453057 678770600 /nfs/dbraw/zinc/77/06/00/678770600.db2.gz ICTPGYJKHUPYFK-OAQYLSRUSA-N 1 2 349.434 2.175 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc4ccccc43)C2)C1 ZINC000972455758 678779623 /nfs/dbraw/zinc/77/96/23/678779623.db2.gz IXNAFANTZOIVFC-NRFANRHFSA-N 1 2 349.434 2.175 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc4ccccc43)C2)C1 ZINC000972455758 678779627 /nfs/dbraw/zinc/77/96/27/678779627.db2.gz IXNAFANTZOIVFC-NRFANRHFSA-N 1 2 349.434 2.175 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4cc(F)ccc43)C2)C1 ZINC000972462510 678794483 /nfs/dbraw/zinc/79/44/83/678794483.db2.gz GGJYMMGCIHQADA-UYAOXDASSA-N 1 2 344.430 2.345 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4cc(F)ccc43)C2)C1 ZINC000972462510 678794486 /nfs/dbraw/zinc/79/44/86/678794486.db2.gz GGJYMMGCIHQADA-UYAOXDASSA-N 1 2 344.430 2.345 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H](CNC(=O)c2cnco2)C1 ZINC001023515886 679350626 /nfs/dbraw/zinc/35/06/26/679350626.db2.gz ITIJCEYOOOBCCO-NSHDSACASA-N 1 2 328.210 2.025 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H](CNC(=O)c2cnco2)C1 ZINC001023515886 679350629 /nfs/dbraw/zinc/35/06/29/679350629.db2.gz ITIJCEYOOOBCCO-NSHDSACASA-N 1 2 328.210 2.025 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ncccn3)C2)cc1 ZINC001023526982 679358651 /nfs/dbraw/zinc/35/86/51/679358651.db2.gz NMANVBRUKJUQDR-KRWDZBQOSA-N 1 2 334.423 2.100 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ncccn3)C2)cc1 ZINC001023526982 679358654 /nfs/dbraw/zinc/35/86/54/679358654.db2.gz NMANVBRUKJUQDR-KRWDZBQOSA-N 1 2 334.423 2.100 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+](Cc3ncnn3CC)C2)CC1 ZINC001023572974 679386331 /nfs/dbraw/zinc/38/63/31/679386331.db2.gz QJSKBAJJIGHVSR-MRXNPFEDSA-N 1 2 345.491 2.373 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+](Cc3ncnn3CC)C2)CC1 ZINC001023572974 679386332 /nfs/dbraw/zinc/38/63/32/679386332.db2.gz QJSKBAJJIGHVSR-MRXNPFEDSA-N 1 2 345.491 2.373 20 30 EEEDLO O=C(NC[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1[nH]ncc1F ZINC001023572967 679386518 /nfs/dbraw/zinc/38/65/18/679386518.db2.gz QIADNSZVKOFBMZ-INIZCTEOSA-N 1 2 340.402 2.042 20 30 EEEDLO O=C(NC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1[nH]ncc1F ZINC001023572967 679386521 /nfs/dbraw/zinc/38/65/21/679386521.db2.gz QIADNSZVKOFBMZ-INIZCTEOSA-N 1 2 340.402 2.042 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C)cc3OC)C2)C1 ZINC000972642059 679482773 /nfs/dbraw/zinc/48/27/73/679482773.db2.gz CUVIZMWBZSUKJX-LJQANCHMSA-N 1 2 330.428 2.107 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C)cc3OC)C2)C1 ZINC000972642059 679482774 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339.443 2.004 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H](F)C1 ZINC001025978578 683703185 /nfs/dbraw/zinc/70/31/85/683703185.db2.gz ORMTXHRZFQJTHS-JZRPKSSGSA-N 1 2 331.229 2.080 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H](F)C1 ZINC001025978578 683703188 /nfs/dbraw/zinc/70/31/88/683703188.db2.gz ORMTXHRZFQJTHS-JZRPKSSGSA-N 1 2 331.229 2.080 20 30 EEEDLO O=C(c1cccc(=O)[nH]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029257817 683713359 /nfs/dbraw/zinc/71/33/59/683713359.db2.gz VCTCRZJAMUMCCG-HDICACEKSA-N 1 2 347.418 2.128 20 30 EEEDLO O=C(c1cccc(=O)[nH]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029257817 683713364 /nfs/dbraw/zinc/71/33/64/683713364.db2.gz VCTCRZJAMUMCCG-HDICACEKSA-N 1 2 347.418 2.128 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](C/C(Cl)=C/Cl)C[C@H]32)c1 ZINC001026029892 683768654 /nfs/dbraw/zinc/76/86/54/683768654.db2.gz KBHKCEIZNDZYNU-MHOCIBAFSA-N 1 2 336.222 2.042 20 30 EEEDLO 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684073412 /nfs/dbraw/zinc/07/34/12/684073412.db2.gz SFLUXRIDPNGPBM-FXSDRFNOSA-N 1 2 339.439 2.158 20 30 EEEDLO COC1CC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)C1 ZINC001029351162 684073415 /nfs/dbraw/zinc/07/34/15/684073415.db2.gz SFLUXRIDPNGPBM-FXSDRFNOSA-N 1 2 339.439 2.158 20 30 EEEDLO Cc1nc(N[C@H]2C[C@H](NC(=O)c3cccc4[nH+]ccn43)C2)ccc1C#N ZINC001059349306 684298657 /nfs/dbraw/zinc/29/86/57/684298657.db2.gz XAGRMKIIFKZPSE-SHTZXODSSA-N 1 2 346.394 2.282 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001059418963 684993137 /nfs/dbraw/zinc/99/31/37/684993137.db2.gz LZLZIWQPFTZRDW-FPCVCCKLSA-N 1 2 342.443 2.313 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001059432980 685178132 /nfs/dbraw/zinc/17/81/32/685178132.db2.gz OYXKNPBIPXIFQR-JKQORVJESA-N 1 2 330.432 2.215 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2C#N)CC1(C)C ZINC000974880035 685662461 /nfs/dbraw/zinc/66/24/61/685662461.db2.gz 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CCc1nc[nH]c1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000989577530 692053348 /nfs/dbraw/zinc/05/33/48/692053348.db2.gz BWIJSNNOJOVFPW-UHFFFAOYSA-N 1 2 337.427 2.192 20 30 EEEDLO Cc1nc[nH]c1C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000989806926 692353566 /nfs/dbraw/zinc/35/35/66/692353566.db2.gz PPVPVSJEPQBWOW-UHFFFAOYSA-N 1 2 340.402 2.057 20 30 EEEDLO Cc1nc[nH]c1C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000989806926 692353569 /nfs/dbraw/zinc/35/35/69/692353569.db2.gz PPVPVSJEPQBWOW-UHFFFAOYSA-N 1 2 340.402 2.057 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@H]23)o1 ZINC000990165813 692711155 /nfs/dbraw/zinc/71/11/55/692711155.db2.gz YGIICAFFYSZIIB-YJBOKZPZSA-N 1 2 339.399 2.110 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@H]23)o1 ZINC000990165813 692711157 /nfs/dbraw/zinc/71/11/57/692711157.db2.gz YGIICAFFYSZIIB-YJBOKZPZSA-N 1 2 339.399 2.110 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@H]23)o1 ZINC000990276522 692803391 /nfs/dbraw/zinc/80/33/91/692803391.db2.gz MKAFBFNRZKDCAR-MAUKXSAKSA-N 1 2 339.399 2.110 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@H]23)o1 ZINC000990276522 692803398 /nfs/dbraw/zinc/80/33/98/692803398.db2.gz MKAFBFNRZKDCAR-MAUKXSAKSA-N 1 2 339.399 2.110 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccc3nnn(C)c32)C(C)(C)C1 ZINC000977672350 692911273 /nfs/dbraw/zinc/91/12/73/692911273.db2.gz QEKRYHCDSOMVKI-CQSZACIVSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccc3nnn(C)c32)C(C)(C)C1 ZINC000977672350 692911279 /nfs/dbraw/zinc/91/12/79/692911279.db2.gz QEKRYHCDSOMVKI-CQSZACIVSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cn(CC)nn2)C1 ZINC001027559546 692999215 /nfs/dbraw/zinc/99/92/15/692999215.db2.gz ASQQIHWNEJXHGC-SJLPKXTDSA-N 1 2 333.480 2.323 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@H+](C)Cc2cn(CC)nn2)C1 ZINC001027559546 692999219 /nfs/dbraw/zinc/99/92/19/692999219.db2.gz ASQQIHWNEJXHGC-SJLPKXTDSA-N 1 2 333.480 2.323 20 30 EEEDLO C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001032077088 1192209643 /nfs/dbraw/zinc/20/96/43/1192209643.db2.gz VHUZRKPMDKWFOM-KBXCAEBGSA-N 1 2 346.858 2.165 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000943516177 1192326567 /nfs/dbraw/zinc/32/65/67/1192326567.db2.gz VFXWYTYDAIKQHS-INIZCTEOSA-N 1 2 344.459 2.196 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000943516177 1192326571 /nfs/dbraw/zinc/32/65/71/1192326571.db2.gz VFXWYTYDAIKQHS-INIZCTEOSA-N 1 2 344.459 2.196 20 30 EEEDLO CCc1nc(C)c(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)o1 ZINC001032104679 1192533238 /nfs/dbraw/zinc/53/32/38/1192533238.db2.gz SJJQNBHGQQOEFJ-UHFFFAOYSA-N 1 2 344.440 2.340 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCC(=O)NCCC)[C@H]1C ZINC001486182967 1193712778 /nfs/dbraw/zinc/71/27/78/1193712778.db2.gz BKEQEFUAXLTMHP-KGLIPLIRSA-N 1 2 329.872 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCC(=O)NCCC)[C@H]1C ZINC001486182967 1193712780 /nfs/dbraw/zinc/71/27/80/1193712780.db2.gz BKEQEFUAXLTMHP-KGLIPLIRSA-N 1 2 329.872 2.014 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)C1 ZINC001032180900 1192852637 /nfs/dbraw/zinc/85/26/37/1192852637.db2.gz OQXHXFPAKNKMEO-MLGOLLRUSA-N 1 2 336.819 2.015 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cscn3)C[C@@H]2C)cn1 ZINC000944215811 1192954845 /nfs/dbraw/zinc/95/48/45/1192954845.db2.gz VEOYCWDQLYLMAU-SUMWQHHRSA-N 1 2 340.452 2.160 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cscn3)C[C@@H]2C)cn1 ZINC000944215811 1192954848 /nfs/dbraw/zinc/95/48/48/1192954848.db2.gz VEOYCWDQLYLMAU-SUMWQHHRSA-N 1 2 340.452 2.160 20 30 EEEDLO C=C(C)CN1CC[C@]2(CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1=O ZINC001269388150 1184226755 /nfs/dbraw/zinc/22/67/55/1184226755.db2.gz XUXGIVIOYFDRGJ-LJQANCHMSA-N 1 2 338.411 2.346 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC2CCC2)cc1C#N ZINC001271061574 1185850545 /nfs/dbraw/zinc/85/05/45/1185850545.db2.gz AOEHDQYHCUAFDR-CALCHBBNSA-N 1 2 326.444 2.262 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC2CCC2)cc1C#N ZINC001271061574 1185850549 /nfs/dbraw/zinc/85/05/49/1185850549.db2.gz AOEHDQYHCUAFDR-CALCHBBNSA-N 1 2 326.444 2.262 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccccn2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088445903 1186899739 /nfs/dbraw/zinc/89/97/39/1186899739.db2.gz FBCUYFMYCYHKIO-DYVFJYSZSA-N 1 2 338.386 2.485 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccccn2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088445903 1186899742 /nfs/dbraw/zinc/89/97/42/1186899742.db2.gz FBCUYFMYCYHKIO-DYVFJYSZSA-N 1 2 338.386 2.485 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C)on2)[C@@H]1C ZINC001088576125 1187436862 /nfs/dbraw/zinc/43/68/62/1187436862.db2.gz YTKCMICETIHQTM-SIXLDLHFSA-N 1 2 333.432 2.043 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)on2)[C@@H]1C ZINC001088576125 1187436864 /nfs/dbraw/zinc/43/68/64/1187436864.db2.gz YTKCMICETIHQTM-SIXLDLHFSA-N 1 2 333.432 2.043 20 30 EEEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)CCC1CC1 ZINC001212060092 1187649537 /nfs/dbraw/zinc/64/95/37/1187649537.db2.gz LHCWIKJCOVPNNA-RTBURBONSA-N 1 2 344.430 2.183 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)CCC1CC1 ZINC001212060092 1187649542 /nfs/dbraw/zinc/64/95/42/1187649542.db2.gz LHCWIKJCOVPNNA-RTBURBONSA-N 1 2 344.430 2.183 20 30 EEEDLO COCCOC[N@@H+]1C[C@@H]2CCN(C(=O)CC3(C#N)CCCCC3)[C@@H]2C1 ZINC001272130884 1187942337 /nfs/dbraw/zinc/94/23/37/1187942337.db2.gz NKOWPFSSJAVHKN-DLBZAZTESA-N 1 2 349.475 2.004 20 30 EEEDLO COCCOC[N@H+]1C[C@@H]2CCN(C(=O)CC3(C#N)CCCCC3)[C@@H]2C1 ZINC001272130884 1187942338 /nfs/dbraw/zinc/94/23/38/1187942338.db2.gz NKOWPFSSJAVHKN-DLBZAZTESA-N 1 2 349.475 2.004 20 30 EEEDLO N#Cc1ccc(NC[C@@H]2CCC[C@@H]2NC(=O)CCc2[nH]cc[nH+]2)nc1 ZINC001105656263 1188376790 /nfs/dbraw/zinc/37/67/90/1188376790.db2.gz WMLHEYNWAXXHAB-GJZGRUSLSA-N 1 2 338.415 2.006 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCC[C@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001105679444 1188642058 /nfs/dbraw/zinc/64/20/58/1188642058.db2.gz XHZWYTCJNDJCNV-GJZGRUSLSA-N 1 2 346.479 2.299 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)c4ncccn4)C[C@H]32)cc1 ZINC001076119880 1188723006 /nfs/dbraw/zinc/72/30/06/1188723006.db2.gz XHDGNSZRRBIWBM-ZYSHUDEJSA-N 1 2 346.434 2.365 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)c4ncccn4)C[C@H]32)cc1 ZINC001076119880 1188723008 /nfs/dbraw/zinc/72/30/08/1188723008.db2.gz XHDGNSZRRBIWBM-ZYSHUDEJSA-N 1 2 346.434 2.365 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001076712157 1189121859 /nfs/dbraw/zinc/12/18/59/1189121859.db2.gz UBMNWBCRLKJMNM-HOTGVXAUSA-N 1 2 346.475 2.183 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001076712157 1189121861 /nfs/dbraw/zinc/12/18/61/1189121861.db2.gz UBMNWBCRLKJMNM-HOTGVXAUSA-N 1 2 346.475 2.183 20 30 EEEDLO C=CCN1C(=O)COCC12C[NH+](Cc1cccc(OCCCC)c1)C2 ZINC001272914639 1193601997 /nfs/dbraw/zinc/60/19/97/1193601997.db2.gz GPSMANVNJMHFMH-UHFFFAOYSA-N 1 2 344.455 2.465 20 30 EEEDLO CC#CCCCC(=O)N[C@@H](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001077357559 1189494402 /nfs/dbraw/zinc/49/44/02/1189494402.db2.gz ZVIAQFLJJGFQRO-HNNXBMFYSA-N 1 2 340.427 2.153 20 30 EEEDLO CCn1ncnc1C[N@H+](CCNC(=O)[C@@H](C)C#N)C1CCCCCC1 ZINC001483814262 1191058954 /nfs/dbraw/zinc/05/89/54/1191058954.db2.gz GHMCTGFCNNMSLV-HNNXBMFYSA-N 1 2 346.479 2.099 20 30 EEEDLO CCn1ncnc1C[N@@H+](CCNC(=O)[C@@H](C)C#N)C1CCCCCC1 ZINC001483814262 1191058959 /nfs/dbraw/zinc/05/89/59/1191058959.db2.gz GHMCTGFCNNMSLV-HNNXBMFYSA-N 1 2 346.479 2.099 20 30 EEEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c(F)cccc1F)C2 ZINC001272973654 1194282374 /nfs/dbraw/zinc/28/23/74/1194282374.db2.gz GNHQPOPZACMFPC-GOSISDBHSA-N 1 2 336.382 2.202 20 30 EEEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1c(F)cccc1F)C2 ZINC001272973654 1194282379 /nfs/dbraw/zinc/28/23/79/1194282379.db2.gz GNHQPOPZACMFPC-GOSISDBHSA-N 1 2 336.382 2.202 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCc1cnn2c1C[N@H+](CC/C=C/CC)CC2 ZINC001128602426 1194469626 /nfs/dbraw/zinc/46/96/26/1194469626.db2.gz IEQMMCLQJACHAS-FYCOFBDGSA-N 1 2 346.475 2.262 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCc1cnn2c1C[N@@H+](CC/C=C/CC)CC2 ZINC001128602426 1194469629 /nfs/dbraw/zinc/46/96/29/1194469629.db2.gz IEQMMCLQJACHAS-FYCOFBDGSA-N 1 2 346.475 2.262 20 30 EEEDLO CCc1nocc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033401303 1194544512 /nfs/dbraw/zinc/54/45/12/1194544512.db2.gz SGTUMJRTSDZZHV-MRXNPFEDSA-N 1 2 338.411 2.455 20 30 EEEDLO CCc1nocc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033401303 1194544516 /nfs/dbraw/zinc/54/45/16/1194544516.db2.gz SGTUMJRTSDZZHV-MRXNPFEDSA-N 1 2 338.411 2.455 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001033502059 1194634860 /nfs/dbraw/zinc/63/48/60/1194634860.db2.gz AMTAQRJGYWKOKT-INIZCTEOSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001033502059 1194634862 /nfs/dbraw/zinc/63/48/62/1194634862.db2.gz AMTAQRJGYWKOKT-INIZCTEOSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001033495870 1194646890 /nfs/dbraw/zinc/64/68/90/1194646890.db2.gz CPHNYPGELSVTGA-RYRKJORJSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001033495870 1194646893 /nfs/dbraw/zinc/64/68/93/1194646893.db2.gz CPHNYPGELSVTGA-RYRKJORJSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC001033657025 1195010097 /nfs/dbraw/zinc/01/00/97/1195010097.db2.gz HSFGIYYWKIKFLA-ZDUSSCGKSA-N 1 2 333.823 2.165 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC001033657025 1195010098 /nfs/dbraw/zinc/01/00/98/1195010098.db2.gz HSFGIYYWKIKFLA-ZDUSSCGKSA-N 1 2 333.823 2.165 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001033690742 1195087291 /nfs/dbraw/zinc/08/72/91/1195087291.db2.gz HMRLDHIDRGUFKJ-ZDUSSCGKSA-N 1 2 348.834 2.178 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001033690742 1195087296 /nfs/dbraw/zinc/08/72/96/1195087296.db2.gz HMRLDHIDRGUFKJ-ZDUSSCGKSA-N 1 2 348.834 2.178 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cn3cccnc3n2)C1 ZINC001033888397 1195430098 /nfs/dbraw/zinc/43/00/98/1195430098.db2.gz OBINFHUZUHBJLU-ZDUSSCGKSA-N 1 2 333.823 2.018 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cn3cccnc3n2)C1 ZINC001033888397 1195430100 /nfs/dbraw/zinc/43/01/00/1195430100.db2.gz OBINFHUZUHBJLU-ZDUSSCGKSA-N 1 2 333.823 2.018 20 30 EEEDLO C[C@H](CCCCNc1ncccc1C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC001090168479 1195536576 /nfs/dbraw/zinc/53/65/76/1195536576.db2.gz DKXJYLOXVFFCQA-CQSZACIVSA-N 1 2 340.431 2.396 20 30 EEEDLO C[C@H](CCCCNc1ncccc1C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC001090168479 1195536580 /nfs/dbraw/zinc/53/65/80/1195536580.db2.gz DKXJYLOXVFFCQA-CQSZACIVSA-N 1 2 340.431 2.396 20 30 EEEDLO CC[C@@H](F)C(=O)NC[C@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108124035 1196036521 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349.822 2.000 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cscn2)C1 ZINC001034407430 1196179035 /nfs/dbraw/zinc/17/90/35/1196179035.db2.gz CBOIZGQTIWRDFC-IMJJTQAJSA-N 1 2 335.473 2.205 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cscn2)C1 ZINC001034407430 1196179038 /nfs/dbraw/zinc/17/90/38/1196179038.db2.gz CBOIZGQTIWRDFC-IMJJTQAJSA-N 1 2 335.473 2.205 20 30 EEEDLO CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2[nH]nc3c2C[C@H](C)CC3)C1 ZINC001034467009 1196247370 /nfs/dbraw/zinc/24/73/70/1196247370.db2.gz GFDFPWCKHZANER-HUUCEWRRSA-N 1 2 328.460 2.142 20 30 EEEDLO CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2[nH]nc3c2C[C@H](C)CC3)C1 ZINC001034467009 1196247372 /nfs/dbraw/zinc/24/73/72/1196247372.db2.gz GFDFPWCKHZANER-HUUCEWRRSA-N 1 2 328.460 2.142 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C(=O)N2CCC[C@H]2CC)C1 ZINC001034479178 1196269373 /nfs/dbraw/zinc/26/93/73/1196269373.db2.gz UBNLEQCNTGSDGJ-HUUCEWRRSA-N 1 2 341.883 2.111 20 30 EEEDLO 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/nfs/dbraw/zinc/48/73/04/1209487304.db2.gz CTURNTILKUZYFI-RXVVDRJESA-N 1 2 345.446 2.145 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ncc2n1CCCC2 ZINC000948987493 1209491174 /nfs/dbraw/zinc/49/11/74/1209491174.db2.gz ZKHKWUVVGWZHSP-IBGZPJMESA-N 1 2 348.450 2.182 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ncc2n1CCCC2 ZINC000948987493 1209491176 /nfs/dbraw/zinc/49/11/76/1209491176.db2.gz ZKHKWUVVGWZHSP-IBGZPJMESA-N 1 2 348.450 2.182 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3c(C)cc(F)cc3C)CC2)C1 ZINC000949430406 1209683242 /nfs/dbraw/zinc/68/32/42/1209683242.db2.gz SNKXRBJBRPFGLI-UHFFFAOYSA-N 1 2 344.430 2.383 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3c(C)cc(F)cc3C)CC2)C1 ZINC000949430406 1209683243 /nfs/dbraw/zinc/68/32/43/1209683243.db2.gz SNKXRBJBRPFGLI-UHFFFAOYSA-N 1 2 344.430 2.383 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](CCc2scnc2C)C1 ZINC000949912568 1209919798 /nfs/dbraw/zinc/91/97/98/1209919798.db2.gz CQUGWVIYULPEMU-UHFFFAOYSA-N 1 2 343.456 2.040 20 30 EEEDLO CC(C)n1cnc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001015388491 1225182605 /nfs/dbraw/zinc/18/26/05/1225182605.db2.gz JFWBGLJTZQQJRE-KRWDZBQOSA-N 1 2 337.427 2.340 20 30 EEEDLO CC(C)n1cnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001015388491 1225182611 /nfs/dbraw/zinc/18/26/11/1225182611.db2.gz JFWBGLJTZQQJRE-KRWDZBQOSA-N 1 2 337.427 2.340 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](CCOC2CCC2)C1 ZINC000950353017 1210167703 /nfs/dbraw/zinc/16/77/03/1210167703.db2.gz BGNNIDVLZBFHQI-MSOLQXFVSA-N 1 2 336.476 2.069 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NCC1(Nc2cc[nH+]c(C)n2)CCCCCC1 ZINC001095811796 1210394531 /nfs/dbraw/zinc/39/45/31/1210394531.db2.gz NRLAXLAINCMZDD-HNNXBMFYSA-N 1 2 344.459 2.444 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000951546001 1210874342 /nfs/dbraw/zinc/87/43/42/1210874342.db2.gz VWFFBKABWTZFJS-KGLIPLIRSA-N 1 2 344.459 2.149 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cc(C4CC4)on3)C2)s1 ZINC001015432304 1225247015 /nfs/dbraw/zinc/24/70/15/1225247015.db2.gz SSHBOQRXKNNXBI-LBPRGKRZSA-N 1 2 342.424 2.489 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C4CC4)on3)C2)s1 ZINC001015432304 1225247020 /nfs/dbraw/zinc/24/70/20/1225247020.db2.gz SSHBOQRXKNNXBI-LBPRGKRZSA-N 1 2 342.424 2.489 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000194261620 1211142377 /nfs/dbraw/zinc/14/23/77/1211142377.db2.gz QFEIEHJWZKOMEW-NSHDSACASA-N 1 2 333.413 2.271 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC000952610818 1211503667 /nfs/dbraw/zinc/50/36/67/1211503667.db2.gz ZCKTXZIVXUCRJH-GJYPPUQNSA-N 1 2 344.459 2.146 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC000953388835 1211791428 /nfs/dbraw/zinc/79/14/28/1211791428.db2.gz VFPSMHNLHKTTBG-HOCLYGCPSA-N 1 2 344.459 2.004 20 30 EEEDLO COc1cc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)cc(C)n1 ZINC001015622198 1225475630 /nfs/dbraw/zinc/47/56/30/1225475630.db2.gz SDMSABJGTWKRDK-LJQANCHMSA-N 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C#CCC[NH+]1CC(N(CC)C(=O)c2cnn(CCC)c2C2CC2)C1 ZINC000957113477 1214848100 /nfs/dbraw/zinc/84/81/00/1214848100.db2.gz MACMEKANXICSRS-UHFFFAOYSA-N 1 2 328.460 2.340 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001015721175 1225593545 /nfs/dbraw/zinc/59/35/45/1225593545.db2.gz DBGKHQRFKQDNQE-VBQJREDUSA-N 1 2 336.382 2.246 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001015721175 1225593549 /nfs/dbraw/zinc/59/35/49/1225593549.db2.gz DBGKHQRFKQDNQE-VBQJREDUSA-N 1 2 336.382 2.246 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001114806682 1215408788 /nfs/dbraw/zinc/40/87/88/1215408788.db2.gz AULMQEZCXMYVNT-MGPQQGTHSA-N 1 2 342.447 2.272 20 30 EEEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)CCc3cscn3)CC2)c1 ZINC000957880388 1215471864 /nfs/dbraw/zinc/47/18/64/1215471864.db2.gz YKYFPXHQHZESFK-UHFFFAOYSA-N 1 2 340.452 2.292 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC000961367810 1217160441 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QATWEBLIZIHMJX-CVEARBPZSA-N 1 2 344.459 2.146 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)C(F)F ZINC000964595420 1218475138 /nfs/dbraw/zinc/47/51/38/1218475138.db2.gz BUVDPFNUFNPQQA-YGRLFVJLSA-N 1 2 325.334 2.289 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)C(F)F ZINC000964595420 1218475139 /nfs/dbraw/zinc/47/51/39/1218475139.db2.gz BUVDPFNUFNPQQA-YGRLFVJLSA-N 1 2 325.334 2.289 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2C2CC2)C1 ZINC001015931076 1225846408 /nfs/dbraw/zinc/84/64/08/1225846408.db2.gz GFQHVMYRBLEDJB-MRXNPFEDSA-N 1 2 335.411 2.163 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2C2CC2)C1 ZINC001015931076 1225846415 /nfs/dbraw/zinc/84/64/15/1225846415.db2.gz GFQHVMYRBLEDJB-MRXNPFEDSA-N 1 2 335.411 2.163 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1cocn1 ZINC000965559683 1219144755 /nfs/dbraw/zinc/14/47/55/1219144755.db2.gz OPPRSQPYQSJLGN-MLGOLLRUSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1cocn1 ZINC000965559683 1219144758 /nfs/dbraw/zinc/14/47/58/1219144758.db2.gz OPPRSQPYQSJLGN-MLGOLLRUSA-N 1 2 342.374 2.326 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccnc3[nH]cnc32)C1 ZINC000966491898 1219790963 /nfs/dbraw/zinc/79/09/63/1219790963.db2.gz POHGNWPNORHHIW-GXFFZTMASA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccnc3[nH]cnc32)C1 ZINC000966491898 1219790965 /nfs/dbraw/zinc/79/09/65/1219790965.db2.gz POHGNWPNORHHIW-GXFFZTMASA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cn3c(n2)CCCC3)C1 ZINC000966526537 1219821218 /nfs/dbraw/zinc/82/12/18/1219821218.db2.gz OSOSTTCYDBKZAF-GXTWGEPZSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cn3c(n2)CCCC3)C1 ZINC000966526537 1219821221 /nfs/dbraw/zinc/82/12/21/1219821221.db2.gz OSOSTTCYDBKZAF-GXTWGEPZSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc(C3CC3)cn2)C1 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/nfs/dbraw/zinc/74/80/30/1220748030.db2.gz DBIBGNSWWBVJJJ-PBHICJAKSA-N 1 2 339.443 2.488 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000967699370 1220748033 /nfs/dbraw/zinc/74/80/33/1220748033.db2.gz DBIBGNSWWBVJJJ-PBHICJAKSA-N 1 2 339.443 2.488 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](CC(=O)NC3CCCC3)CC[C@H]2C)C1 ZINC000968273280 1221168534 /nfs/dbraw/zinc/16/85/34/1221168534.db2.gz GUSMRYMACSZGTJ-WBVHZDCISA-N 1 2 347.503 2.228 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](CC(=O)NC3CCCC3)CC[C@H]2C)C1 ZINC000968273280 1221168540 /nfs/dbraw/zinc/16/85/40/1221168540.db2.gz GUSMRYMACSZGTJ-WBVHZDCISA-N 1 2 347.503 2.228 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@H]1C ZINC000968513880 1221367949 /nfs/dbraw/zinc/36/79/49/1221367949.db2.gz QQLPNUAAPRDOMR-QAPCUYQASA-N 1 2 337.423 2.475 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1C[N@H+](CC#Cc2ccccc2)CC[C@H]1C ZINC000968513880 1221367950 /nfs/dbraw/zinc/36/79/50/1221367950.db2.gz QQLPNUAAPRDOMR-QAPCUYQASA-N 1 2 337.423 2.475 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccns3)CC[C@H]2C)cn1 ZINC000968562936 1221404594 /nfs/dbraw/zinc/40/45/94/1221404594.db2.gz YPMDEEYYLYHYIL-CXAGYDPISA-N 1 2 340.452 2.160 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccns3)CC[C@H]2C)cn1 ZINC000968562936 1221404596 /nfs/dbraw/zinc/40/45/96/1221404596.db2.gz YPMDEEYYLYHYIL-CXAGYDPISA-N 1 2 340.452 2.160 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnn(C)c2C2CC2)C1 ZINC000968695914 1221496087 /nfs/dbraw/zinc/49/60/87/1221496087.db2.gz WSNKKSGGRGNPKB-ABAIWWIYSA-N 1 2 336.867 2.490 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnn(C)c2C2CC2)C1 ZINC000968695914 1221496090 /nfs/dbraw/zinc/49/60/90/1221496090.db2.gz WSNKKSGGRGNPKB-ABAIWWIYSA-N 1 2 336.867 2.490 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([NH2+][C@H](C)c2nnc(CC)o2)C1 ZINC000968919895 1221671212 /nfs/dbraw/zinc/67/12/12/1221671212.db2.gz BWCATRCSNOHSHD-ZIAGYGMSSA-N 1 2 343.431 2.185 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)c3ccc[nH]3)C2)c1 ZINC001006745300 1221920120 /nfs/dbraw/zinc/92/01/20/1221920120.db2.gz ZXUVXFUGXUKZTR-HNNXBMFYSA-N 1 2 326.375 2.420 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)c3ccc[nH]3)C2)c1 ZINC001006745300 1221920122 /nfs/dbraw/zinc/92/01/22/1221920122.db2.gz ZXUVXFUGXUKZTR-HNNXBMFYSA-N 1 2 326.375 2.420 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001006871893 1221992262 /nfs/dbraw/zinc/99/22/62/1221992262.db2.gz OPFXEJGVZRDNIF-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001006871893 1221992264 /nfs/dbraw/zinc/99/22/64/1221992264.db2.gz OPFXEJGVZRDNIF-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO CCc1nc(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)co1 ZINC001007162974 1222115357 /nfs/dbraw/zinc/11/53/57/1222115357.db2.gz VBIHADVEPQQTOA-KRWDZBQOSA-N 1 2 337.423 2.483 20 30 EEEDLO CCc1nc(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)co1 ZINC001007162974 1222115358 /nfs/dbraw/zinc/11/53/58/1222115358.db2.gz VBIHADVEPQQTOA-KRWDZBQOSA-N 1 2 337.423 2.483 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(OC)no2)C1 ZINC001007501906 1222263611 /nfs/dbraw/zinc/26/36/11/1222263611.db2.gz FAWYIMZGTFNPCA-AWEZNQCLSA-N 1 2 344.415 2.065 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(OC)no2)C1 ZINC001007501906 1222263614 /nfs/dbraw/zinc/26/36/14/1222263614.db2.gz FAWYIMZGTFNPCA-AWEZNQCLSA-N 1 2 344.415 2.065 20 30 EEEDLO COc1nc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)co1 ZINC001008069449 1222602610 /nfs/dbraw/zinc/60/26/10/1222602610.db2.gz KKKWTTQTQFZUFZ-LLVKDONJSA-N 1 2 346.412 2.011 20 30 EEEDLO COc1nc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)co1 ZINC001008069449 1222602611 /nfs/dbraw/zinc/60/26/11/1222602611.db2.gz KKKWTTQTQFZUFZ-LLVKDONJSA-N 1 2 346.412 2.011 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001008329125 1222764505 /nfs/dbraw/zinc/76/45/05/1222764505.db2.gz GVPBCKNYRCQMNC-KGLIPLIRSA-N 1 2 349.853 2.297 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001008329125 1222764509 /nfs/dbraw/zinc/76/45/09/1222764509.db2.gz GVPBCKNYRCQMNC-KGLIPLIRSA-N 1 2 349.853 2.297 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@](CO)(Nc2cc[nH+]c(C)n2)C1 ZINC001066920313 1222816684 /nfs/dbraw/zinc/81/66/84/1222816684.db2.gz PGZWPWKBLBYRKP-QZTJIDSGSA-N 1 2 332.448 2.153 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3conc3CC)C2)c1 ZINC001008471425 1222866136 /nfs/dbraw/zinc/86/61/36/1222866136.db2.gz ZAVOWIADGWHORW-QGZVFWFLSA-N 1 2 338.411 2.008 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](Cc3conc3CC)C2)c1 ZINC001008471425 1222866138 /nfs/dbraw/zinc/86/61/38/1222866138.db2.gz ZAVOWIADGWHORW-QGZVFWFLSA-N 1 2 338.411 2.008 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008573313 1222936575 /nfs/dbraw/zinc/93/65/75/1222936575.db2.gz FPYPRWUNTXGPAA-SKDZVZGDSA-N 1 2 345.418 2.203 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008573313 1222936580 /nfs/dbraw/zinc/93/65/80/1222936580.db2.gz FPYPRWUNTXGPAA-SKDZVZGDSA-N 1 2 345.418 2.203 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2c(=O)[nH]c3ccccc32)C1 ZINC001008666791 1222986748 /nfs/dbraw/zinc/98/67/48/1222986748.db2.gz PYTNOKMVFZUKPA-ZDUSSCGKSA-N 1 2 348.834 2.075 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2c(=O)[nH]c3ccccc32)C1 ZINC001008666791 1222986750 /nfs/dbraw/zinc/98/67/50/1222986750.db2.gz PYTNOKMVFZUKPA-ZDUSSCGKSA-N 1 2 348.834 2.075 20 30 EEEDLO CCc1oncc1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001008720828 1223008900 /nfs/dbraw/zinc/00/89/00/1223008900.db2.gz NCFGCOIMUDBGHQ-KRWDZBQOSA-N 1 2 337.423 2.483 20 30 EEEDLO CCc1oncc1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001008720828 1223008904 /nfs/dbraw/zinc/00/89/04/1223008904.db2.gz NCFGCOIMUDBGHQ-KRWDZBQOSA-N 1 2 337.423 2.483 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC001008839683 1223054041 /nfs/dbraw/zinc/05/40/41/1223054041.db2.gz KELSGBINOLOYIQ-BZSNNMDCSA-N 1 2 347.434 2.283 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC001008839683 1223054045 /nfs/dbraw/zinc/05/40/45/1223054045.db2.gz KELSGBINOLOYIQ-BZSNNMDCSA-N 1 2 347.434 2.283 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001009055857 1223126073 /nfs/dbraw/zinc/12/60/73/1223126073.db2.gz DGYAEICPYLAMGE-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001009055857 1223126074 /nfs/dbraw/zinc/12/60/74/1223126074.db2.gz DGYAEICPYLAMGE-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccccc3O)C2)s1 ZINC001010269472 1223635939 /nfs/dbraw/zinc/63/59/39/1223635939.db2.gz NAIUBIKORXZUJE-GFCCVEGCSA-N 1 2 327.409 2.330 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccccc3O)C2)s1 ZINC001010269472 1223635941 /nfs/dbraw/zinc/63/59/41/1223635941.db2.gz NAIUBIKORXZUJE-GFCCVEGCSA-N 1 2 327.409 2.330 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(F)nc3)C2)cc1F ZINC001010384742 1223693131 /nfs/dbraw/zinc/69/31/31/1223693131.db2.gz NYZPNSJLVBFKOF-OAHLLOKOSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(F)nc3)C2)cc1F ZINC001010384742 1223693133 /nfs/dbraw/zinc/69/31/33/1223693133.db2.gz NYZPNSJLVBFKOF-OAHLLOKOSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3cc(O)ccc3Cl)C2)c1 ZINC001010477364 1223739676 /nfs/dbraw/zinc/73/96/76/1223739676.db2.gz KALQEAIOVMTMFJ-ZDUSSCGKSA-N 1 2 344.802 2.250 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3cc(O)ccc3Cl)C2)c1 ZINC001010477364 1223739679 /nfs/dbraw/zinc/73/96/79/1223739679.db2.gz KALQEAIOVMTMFJ-ZDUSSCGKSA-N 1 2 344.802 2.250 20 30 EEEDLO Cc1ccn(C)c1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010765199 1223896689 /nfs/dbraw/zinc/89/66/89/1223896689.db2.gz CGCRNSRDTUAWLC-GOSISDBHSA-N 1 2 339.414 2.328 20 30 EEEDLO Cc1ccn(C)c1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010765199 1223896690 /nfs/dbraw/zinc/89/66/90/1223896690.db2.gz CGCRNSRDTUAWLC-GOSISDBHSA-N 1 2 339.414 2.328 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3CCCOC3)C2)c1 ZINC001016275954 1226288298 /nfs/dbraw/zinc/28/82/98/1226288298.db2.gz IEJPYJIAUKYEPH-RDJZCZTQSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)C[C@@H]3CCCOC3)C2)c1 ZINC001016275954 1226288302 /nfs/dbraw/zinc/28/83/02/1226288302.db2.gz IEJPYJIAUKYEPH-RDJZCZTQSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COc3ccccc32)C1 ZINC001016403562 1226442241 /nfs/dbraw/zinc/44/22/41/1226442241.db2.gz UNYUIMODMUFARU-IEBWSBKVSA-N 1 2 347.418 2.425 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COc3ccccc32)C1 ZINC001016403562 1226442244 /nfs/dbraw/zinc/44/22/44/1226442244.db2.gz UNYUIMODMUFARU-IEBWSBKVSA-N 1 2 347.418 2.425 20 30 EEEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)NCCc2ccccc2)cc1 ZINC000113249065 1226728043 /nfs/dbraw/zinc/72/80/43/1226728043.db2.gz ZQLRELVQHMOVBB-CQSZACIVSA-N 1 2 341.411 2.080 20 30 EEEDLO C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1Nc1ncccc1C#N ZINC001067169087 1226808987 /nfs/dbraw/zinc/80/89/87/1226808987.db2.gz REUDWZNIBWXSRV-ZFWWWQNUSA-N 1 2 346.394 2.174 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nn1C(CC)CC ZINC001017689644 1227641574 /nfs/dbraw/zinc/64/15/74/1227641574.db2.gz RZVGANBWGDCWFK-CALCHBBNSA-N 1 2 328.460 2.475 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nn1C(CC)CC ZINC001017689644 1227641579 /nfs/dbraw/zinc/64/15/79/1227641579.db2.gz RZVGANBWGDCWFK-CALCHBBNSA-N 1 2 328.460 2.475 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(Br)c1 ZINC001017740097 1227692823 /nfs/dbraw/zinc/69/28/23/1227692823.db2.gz XEYACIBNZXJYOU-BETUJISGSA-N 1 2 336.233 2.089 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(Br)c1 ZINC001017740097 1227692827 /nfs/dbraw/zinc/69/28/27/1227692827.db2.gz XEYACIBNZXJYOU-BETUJISGSA-N 1 2 336.233 2.089 20 30 EEEDLO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)c(C2CC2)n1 ZINC001038296435 1229728761 /nfs/dbraw/zinc/72/87/61/1229728761.db2.gz FRYMHYCXVVQZPJ-KRWDZBQOSA-N 1 2 349.438 2.173 20 30 EEEDLO Cn1cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)c(C2CC2)n1 ZINC001038296435 1229728766 /nfs/dbraw/zinc/72/87/66/1229728766.db2.gz FRYMHYCXVVQZPJ-KRWDZBQOSA-N 1 2 349.438 2.173 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc(C3CC3)on2)cc1 ZINC001038574167 1229923220 /nfs/dbraw/zinc/92/32/20/1229923220.db2.gz GKXSCAXYRIFZEV-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc(C3CC3)on2)cc1 ZINC001038574167 1229923221 /nfs/dbraw/zinc/92/32/21/1229923221.db2.gz GKXSCAXYRIFZEV-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1nc(CC)c[nH]1 ZINC001039387708 1230572776 /nfs/dbraw/zinc/57/27/76/1230572776.db2.gz HMQXMZPWCJKQAH-CABCVRRESA-N 1 2 336.867 2.332 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1nc(CC)c[nH]1 ZINC001039387708 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C=C(C)C(C)(C)C(=O)N1CC2(C1)CC[NH+](Cc1cnn(CC)n1)CC2 ZINC001050613837 1243959794 /nfs/dbraw/zinc/95/97/94/1243959794.db2.gz DYYYSGWVCYDGHB-UHFFFAOYSA-N 1 2 345.491 2.325 20 30 EEEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnco2)C3)ccc1F ZINC001097602736 1244391152 /nfs/dbraw/zinc/39/11/52/1244391152.db2.gz LVZHCSVYIZLYTI-BMFZPTHFSA-N 1 2 340.358 2.221 20 30 EEEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnco2)C3)ccc1F ZINC001097602736 1244391158 /nfs/dbraw/zinc/39/11/58/1244391158.db2.gz LVZHCSVYIZLYTI-BMFZPTHFSA-N 1 2 340.358 2.221 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cncc(Cl)c3C)C2)CC1 ZINC001052038250 1244413124 /nfs/dbraw/zinc/41/31/24/1244413124.db2.gz ZWYLKTDBTICCET-OAHLLOKOSA-N 1 2 348.878 2.062 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(C)nn(C(C)(C)C)c1C ZINC001050945624 1244688880 /nfs/dbraw/zinc/68/88/80/1244688880.db2.gz SESBHXLABFFUPH-INIZCTEOSA-N 1 2 348.491 2.262 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(C)nn(C(C)(C)C)c1C ZINC001050945624 1244688889 /nfs/dbraw/zinc/68/88/89/1244688889.db2.gz SESBHXLABFFUPH-INIZCTEOSA-N 1 2 348.491 2.262 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001050950062 1244700664 /nfs/dbraw/zinc/70/06/64/1244700664.db2.gz UULZZYXBDXTEKK-AWEZNQCLSA-N 1 2 339.386 2.416 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001050950062 1244700672 /nfs/dbraw/zinc/70/06/72/1244700672.db2.gz UULZZYXBDXTEKK-AWEZNQCLSA-N 1 2 339.386 2.416 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001051009073 1244839866 /nfs/dbraw/zinc/83/98/66/1244839866.db2.gz DJKJPFGSERNXSE-QGZVFWFLSA-N 1 2 329.444 2.356 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001051009073 1244839881 /nfs/dbraw/zinc/83/98/81/1244839881.db2.gz DJKJPFGSERNXSE-QGZVFWFLSA-N 1 2 329.444 2.356 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001051015131 1244853213 /nfs/dbraw/zinc/85/32/13/1244853213.db2.gz FAJVSIRRFIGDOO-MRXNPFEDSA-N 1 2 344.455 2.363 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001051015131 1244853221 /nfs/dbraw/zinc/85/32/21/1244853221.db2.gz FAJVSIRRFIGDOO-MRXNPFEDSA-N 1 2 344.455 2.363 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ocnc1C(F)F ZINC001051117961 1245001945 /nfs/dbraw/zinc/00/19/45/1245001945.db2.gz LUUHGBPJIHTEQA-LLVKDONJSA-N 1 2 329.347 2.009 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ocnc1C(F)F ZINC001051117961 1245001954 /nfs/dbraw/zinc/00/19/54/1245001954.db2.gz LUUHGBPJIHTEQA-LLVKDONJSA-N 1 2 329.347 2.009 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2ccccc2O1 ZINC001051168606 1245079779 /nfs/dbraw/zinc/07/97/79/1245079779.db2.gz LHVUAXYEBRPFBH-MJGOQNOKSA-N 1 2 344.455 2.163 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2ccccc2O1 ZINC001051168606 1245079787 /nfs/dbraw/zinc/07/97/87/1245079787.db2.gz LHVUAXYEBRPFBH-MJGOQNOKSA-N 1 2 344.455 2.163 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(-c2cnco2)c1 ZINC001051193331 1245370389 /nfs/dbraw/zinc/37/03/89/1245370389.db2.gz YWSHNODTZQWATG-QGZVFWFLSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(-c2cnco2)c1 ZINC001051193331 1245370394 /nfs/dbraw/zinc/37/03/94/1245370394.db2.gz YWSHNODTZQWATG-QGZVFWFLSA-N 1 2 341.411 2.348 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001052865829 1245411914 /nfs/dbraw/zinc/41/19/14/1245411914.db2.gz CGJNEIYJXVHNFH-SJORKVTESA-N 1 2 346.475 2.230 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ncccc1OC(C)C ZINC001051229032 1245416154 /nfs/dbraw/zinc/41/61/54/1245416154.db2.gz UMZDYDPNCDBXKO-MRXNPFEDSA-N 1 2 347.459 2.266 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ncccc1OC(C)C ZINC001051229032 1245416159 /nfs/dbraw/zinc/41/61/59/1245416159.db2.gz UMZDYDPNCDBXKO-MRXNPFEDSA-N 1 2 347.459 2.266 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001051311582 1245521192 /nfs/dbraw/zinc/52/11/92/1245521192.db2.gz IWSGHDNEUBAMJQ-UKRRQHHQSA-N 1 2 346.475 2.216 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001052953083 1245543642 /nfs/dbraw/zinc/54/36/42/1245543642.db2.gz XHBGUXXDYICJQZ-GJZGRUSLSA-N 1 2 340.427 2.125 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001101330880 1245669975 /nfs/dbraw/zinc/66/99/75/1245669975.db2.gz IMYMDSDTCOTSPE-IBGZPJMESA-N 1 2 344.459 2.075 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3cnn(CC)n3)C[C@@]2(C)C1 ZINC001101337493 1245681371 /nfs/dbraw/zinc/68/13/71/1245681371.db2.gz BLARSCVJZQTCNV-FCEWJHQRSA-N 1 2 345.491 2.181 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3cnn(CC)n3)C[C@@]2(C)C1 ZINC001101337493 1245681379 /nfs/dbraw/zinc/68/13/79/1245681379.db2.gz BLARSCVJZQTCNV-FCEWJHQRSA-N 1 2 345.491 2.181 20 30 EEEDLO C=CCC1(C(=O)N[C@H](C)[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CCC1 ZINC001051415958 1245696650 /nfs/dbraw/zinc/69/66/50/1245696650.db2.gz FIOSRZOTVNPRGL-CABCVRRESA-N 1 2 344.459 2.052 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H](C)[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001051420028 1245702499 /nfs/dbraw/zinc/70/24/99/1245702499.db2.gz ZBCHMBBUGDWAIQ-LSDHHAIUSA-N 1 2 344.459 2.052 20 30 EEEDLO C=CCCOCC(=O)NCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001101355389 1245706022 /nfs/dbraw/zinc/70/60/22/1245706022.db2.gz BXQDBMZRGMSVOK-UHFFFAOYSA-N 1 2 344.459 2.340 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001053109840 1245931794 /nfs/dbraw/zinc/93/17/94/1245931794.db2.gz VWNJPQRQZLEBFI-ZFWWWQNUSA-N 1 2 346.475 2.074 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)C=C(CC)CC)c1nccn12 ZINC001101622935 1246054443 /nfs/dbraw/zinc/05/44/43/1246054443.db2.gz TVZMVHZSVDXKOM-INIZCTEOSA-N 1 2 326.444 2.225 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)CC(C)C)c1nccn12 ZINC001101648992 1246078485 /nfs/dbraw/zinc/07/84/85/1246078485.db2.gz CDWQHIKQQGFTBQ-CVEARBPZSA-N 1 2 328.460 2.161 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](c1ccncc1)C(C)C)CCO2 ZINC001053395189 1246280133 /nfs/dbraw/zinc/28/01/33/1246280133.db2.gz WVLXGIHJIKTUNK-SFHVURJKSA-N 1 2 343.471 2.311 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1coc(C3CCCC3)n1)CCO2 ZINC001053489095 1246386034 /nfs/dbraw/zinc/38/60/34/1246386034.db2.gz XHUQJVSKGQNBCA-UHFFFAOYSA-N 1 2 345.443 2.435 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[C@@H]4C[C@@H]4CC3)C2)CC1 ZINC001052055345 1246426207 /nfs/dbraw/zinc/42/62/07/1246426207.db2.gz LGEFQBDCDNKEMP-YRPNKDGESA-N 1 2 343.515 2.055 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@]34C[C@H]3CCCC4)C2)CC1 ZINC001052078777 1246454619 /nfs/dbraw/zinc/45/46/19/1246454619.db2.gz AZKKGMJECQSNLJ-QWFCFKBJSA-N 1 2 331.504 2.361 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cncc3[nH]ccc31)O2 ZINC001053624289 1246550550 /nfs/dbraw/zinc/55/05/50/1246550550.db2.gz NZMLLVMQPZYZFZ-AWEZNQCLSA-N 1 2 340.427 2.102 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3n[nH]cc3c1)O2 ZINC001053654705 1246596797 /nfs/dbraw/zinc/59/67/97/1246596797.db2.gz UMUMEBZAWPBINP-INIZCTEOSA-N 1 2 340.427 2.102 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(F)c(OC)c1)O2 ZINC001053663692 1246609258 /nfs/dbraw/zinc/60/92/58/1246609258.db2.gz ZATORGWPLLEAKP-HNNXBMFYSA-N 1 2 348.418 2.374 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1scnc1C(C)C)O2 ZINC001053676651 1246631206 /nfs/dbraw/zinc/63/12/06/1246631206.db2.gz HDHKNHOMSUBFBI-ZDUSSCGKSA-N 1 2 335.473 2.416 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnoc1C1CC1)O2 ZINC001053683269 1246641116 /nfs/dbraw/zinc/64/11/16/1246641116.db2.gz QCFWSAVVVQRKMX-CQSZACIVSA-N 1 2 331.416 2.091 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c[nH]cc1C1CC1)O2 ZINC001053685776 1246647986 /nfs/dbraw/zinc/64/79/86/1246647986.db2.gz ZFVLMOZGGHNTIN-OAHLLOKOSA-N 1 2 329.444 2.431 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccccc1OC)O2 ZINC001053690099 1246656294 /nfs/dbraw/zinc/65/62/94/1246656294.db2.gz HNFCCTCSIHABLR-HNNXBMFYSA-N 1 2 330.428 2.235 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c3ncccc13)O2 ZINC001053695312 1246667570 /nfs/dbraw/zinc/66/75/70/1246667570.db2.gz CQPQEJDQZSOWSU-AWEZNQCLSA-N 1 2 340.427 2.102 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)noc1CCC)CO2 ZINC001053799122 1246802809 /nfs/dbraw/zinc/80/28/09/1246802809.db2.gz MOMXZHFEZPNWBM-CQSZACIVSA-N 1 2 333.432 2.085 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)c1c(F)cccc1F)CO2 ZINC001053871416 1246946512 /nfs/dbraw/zinc/94/65/12/1246946512.db2.gz FMMXMCYKUGINQN-KBPBESRZSA-N 1 2 348.393 2.051 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCc3cccnc31)CO2 ZINC001053905231 1246992789 /nfs/dbraw/zinc/99/27/89/1246992789.db2.gz ZJRPAQYAPVIHDV-IRXDYDNUSA-N 1 2 341.455 2.037 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)c1ccc(Cl)cc1)CO2 ZINC001053915766 1247010948 /nfs/dbraw/zinc/01/09/48/1247010948.db2.gz RWRYBPCOIGAJRX-PBHICJAKSA-N 1 2 346.858 2.426 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(OC)c1C)CO2 ZINC001053940289 1247039920 /nfs/dbraw/zinc/03/99/20/1247039920.db2.gz ACSFFXSOMFOOCX-HNNXBMFYSA-N 1 2 330.428 2.153 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc([C@@H](C)CC)no1)CO2 ZINC001053947989 1247053739 /nfs/dbraw/zinc/05/37/39/1247053739.db2.gz DGYFTXLPZGULHG-UONOGXRCSA-N 1 2 333.432 2.337 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3[nH]c(C)nc3c1)CO2 ZINC001053967964 1247080231 /nfs/dbraw/zinc/08/02/31/1247080231.db2.gz HHYCEGRCVOQGFI-HNNXBMFYSA-N 1 2 340.427 2.021 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001054047648 1247228488 /nfs/dbraw/zinc/22/84/88/1247228488.db2.gz JAGVTRZPJUDWQM-LJQANCHMSA-N 1 2 333.435 2.488 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001054047648 1247228494 /nfs/dbraw/zinc/22/84/94/1247228494.db2.gz JAGVTRZPJUDWQM-LJQANCHMSA-N 1 2 333.435 2.488 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccc2c[nH]nc21 ZINC001054048947 1247232095 /nfs/dbraw/zinc/23/20/95/1247232095.db2.gz MMNYCPAJHIQNSC-GOSISDBHSA-N 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ZINC001054267040 1247940252 /nfs/dbraw/zinc/94/02/52/1247940252.db2.gz VYKFASUAUAOETO-UHFFFAOYSA-N 1 2 345.406 2.227 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccnn3C(F)F)cc2C1 ZINC001054267412 1247942015 /nfs/dbraw/zinc/94/20/15/1247942015.db2.gz SPQSHJRBVUWIPU-UHFFFAOYSA-N 1 2 330.338 2.157 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccnn3C(F)F)cc2C1 ZINC001054267412 1247942026 /nfs/dbraw/zinc/94/20/26/1247942026.db2.gz SPQSHJRBVUWIPU-UHFFFAOYSA-N 1 2 330.338 2.157 20 30 EEEDLO N#Cc1cc(F)ccc1N1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000827419575 1248022726 /nfs/dbraw/zinc/02/27/26/1248022726.db2.gz BZDHTJGSMOVAGF-UHFFFAOYSA-N 1 2 341.390 2.023 20 30 EEEDLO C[C@@H](Nc1ncccc1C#N)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001058019017 1248294084 /nfs/dbraw/zinc/29/40/84/1248294084.db2.gz KKICXMXEIXQJKZ-UKRRQHHQSA-N 1 2 338.415 2.101 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H](CNc3cc[nH+]c(C)n3)C[C@H]2C)nc1 ZINC001068341515 1250841246 /nfs/dbraw/zinc/84/12/46/1250841246.db2.gz PNAIRBDTRVKLIF-CJNGLKHVSA-N 1 2 335.411 2.124 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NC[C@H](C)Nc3ncccc3C#N)ccn12 ZINC001098071455 1251333641 /nfs/dbraw/zinc/33/36/41/1251333641.db2.gz XUTKZSPSMJTSMW-LBPRGKRZSA-N 1 2 334.383 2.140 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001068602736 1251382039 /nfs/dbraw/zinc/38/20/39/1251382039.db2.gz QRFGKUDGXMMWKS-OVWQWFNUSA-N 1 2 344.459 2.463 20 30 EEEDLO C[C@H]1C[C@@H](Nc2cccc(F)c2C#N)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001069214732 1252491334 /nfs/dbraw/zinc/49/13/34/1252491334.db2.gz KXNOWRZNSKVJAB-WCQYABFASA-N 1 2 327.363 2.064 20 30 EEEDLO C=CCCCC(=O)N1CCC(CC)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001069578100 1253033463 /nfs/dbraw/zinc/03/34/63/1253033463.db2.gz ITMFYCBYNFOZHK-UHFFFAOYSA-N 1 2 332.448 2.127 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn3cccnc3n2)CC[C@H]1C ZINC001071646076 1254463866 /nfs/dbraw/zinc/46/38/66/1254463866.db2.gz RRWPSWBUQWRBIA-OLZOCXBDSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cn3cccnc3n2)CC[C@H]1C ZINC001071646076 1254463870 /nfs/dbraw/zinc/46/38/70/1254463870.db2.gz RRWPSWBUQWRBIA-OLZOCXBDSA-N 1 2 333.823 2.065 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)c2ccnnc2)C[N@@H+]1Cc1ccccc1C#N ZINC001071846760 1254709140 /nfs/dbraw/zinc/70/91/40/1254709140.db2.gz FJGVIOXCGKHBHK-KDOFPFPSSA-N 1 2 335.411 2.131 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)c2ccnnc2)C[N@H+]1Cc1ccccc1C#N ZINC001071846760 1254709149 /nfs/dbraw/zinc/70/91/49/1254709149.db2.gz FJGVIOXCGKHBHK-KDOFPFPSSA-N 1 2 335.411 2.131 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnc(OCC)cn2)CC[C@H]1C ZINC001072123688 1254938544 /nfs/dbraw/zinc/93/85/44/1254938544.db2.gz SYRZDXBZIRBYAW-OLZOCXBDSA-N 1 2 338.839 2.211 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnc(OCC)cn2)CC[C@H]1C ZINC001072123688 1254938558 /nfs/dbraw/zinc/93/85/58/1254938558.db2.gz SYRZDXBZIRBYAW-OLZOCXBDSA-N 1 2 338.839 2.211 20 30 EEEDLO C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001072169566 1254953931 /nfs/dbraw/zinc/95/39/31/1254953931.db2.gz UOALGMPWMYKEKX-RHSMWYFYSA-N 1 2 344.459 2.074 20 30 EEEDLO C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001072169566 1254953941 /nfs/dbraw/zinc/95/39/41/1254953941.db2.gz UOALGMPWMYKEKX-RHSMWYFYSA-N 1 2 344.459 2.074 20 30 EEEDLO C[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001072428244 1255151907 /nfs/dbraw/zinc/15/19/07/1255151907.db2.gz LGDUZYGFQOITML-CXAGYDPISA-N 1 2 327.403 2.388 20 30 EEEDLO C[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001072428244 1255151914 /nfs/dbraw/zinc/15/19/14/1255151914.db2.gz LGDUZYGFQOITML-CXAGYDPISA-N 1 2 327.403 2.388 20 30 EEEDLO CC#CC[NH+]1CCN(Cc2ccc(CNC(=O)C3CCC3)cc2)CC1 ZINC001074111915 1256722058 /nfs/dbraw/zinc/72/20/58/1256722058.db2.gz DMZGIPKKPBKRIB-UHFFFAOYSA-N 1 2 339.483 2.244 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc4c3OCC4)C[C@H]21 ZINC001074337932 1256918715 /nfs/dbraw/zinc/91/87/15/1256918715.db2.gz FQVIGZPLUHZMRA-QZTJIDSGSA-N 1 2 342.439 2.113 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc4c3OCC4)C[C@H]21 ZINC001074337932 1256918721 /nfs/dbraw/zinc/91/87/21/1256918721.db2.gz FQVIGZPLUHZMRA-QZTJIDSGSA-N 1 2 342.439 2.113 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3csc(Cl)c3)C[C@@H]21 ZINC001074347902 1256926035 /nfs/dbraw/zinc/92/60/35/1256926035.db2.gz DFVCTNTWYUQUSZ-UONOGXRCSA-N 1 2 338.860 2.340 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3csc(Cl)c3)C[C@@H]21 ZINC001074347902 1256926040 /nfs/dbraw/zinc/92/60/40/1256926040.db2.gz DFVCTNTWYUQUSZ-UONOGXRCSA-N 1 2 338.860 2.340 20 30 EEEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3oc(CCC)nc3C)C[C@@H]21 ZINC001074384849 1256964875 /nfs/dbraw/zinc/96/48/75/1256964875.db2.gz NKVCKFJPGIAGNB-JKSUJKDBSA-N 1 2 347.459 2.427 20 30 EEEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3oc(CCC)nc3C)C[C@@H]21 ZINC001074384849 1256964878 /nfs/dbraw/zinc/96/48/78/1256964878.db2.gz NKVCKFJPGIAGNB-JKSUJKDBSA-N 1 2 347.459 2.427 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C)ccc3C)C[C@@H]21 ZINC001074394856 1256976565 /nfs/dbraw/zinc/97/65/65/1256976565.db2.gz MILGNTPOAFOKPG-RBUKOAKNSA-N 1 2 326.440 2.242 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C)ccc3C)C[C@@H]21 ZINC001074394856 1256976573 /nfs/dbraw/zinc/97/65/73/1256976573.db2.gz MILGNTPOAFOKPG-RBUKOAKNSA-N 1 2 326.440 2.242 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001074887423 1257194721 /nfs/dbraw/zinc/19/47/21/1257194721.db2.gz VAADQFYPXDHMGF-CABCVRRESA-N 1 2 340.427 2.410 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C#CC(C)C)CC2(CCOCC2)C1 ZINC001099580716 1258223630 /nfs/dbraw/zinc/22/36/30/1258223630.db2.gz AIXLWVWZBIHGMJ-MRXNPFEDSA-N 1 2 338.879 2.386 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C#CC(C)C)CC2(CCOCC2)C1 ZINC001099580716 1258223636 /nfs/dbraw/zinc/22/36/36/1258223636.db2.gz AIXLWVWZBIHGMJ-MRXNPFEDSA-N 1 2 338.879 2.386 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C#CC2CC2)CC2(CCOCC2)C1 ZINC001099581404 1258224862 /nfs/dbraw/zinc/22/48/62/1258224862.db2.gz SIGYCPWBUJFOBZ-MRXNPFEDSA-N 1 2 336.863 2.140 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C#CC2CC2)CC2(CCOCC2)C1 ZINC001099581404 1258224865 /nfs/dbraw/zinc/22/48/65/1258224865.db2.gz SIGYCPWBUJFOBZ-MRXNPFEDSA-N 1 2 336.863 2.140 20 30 EEEDLO CC#CC[NH2+]Cc1cn(-c2cccc(CNC(=O)CC(C)C)c2)nn1 ZINC001099602283 1258253879 /nfs/dbraw/zinc/25/38/79/1258253879.db2.gz YGYXHIZWOASYMF-UHFFFAOYSA-N 1 2 339.443 2.043 20 30 EEEDLO CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110363685 1278663843 /nfs/dbraw/zinc/66/38/43/1278663843.db2.gz KUYQQGRORSXBOE-KURKYZTESA-N 1 2 327.428 2.206 20 30 EEEDLO CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110363685 1278663849 /nfs/dbraw/zinc/66/38/49/1278663849.db2.gz KUYQQGRORSXBOE-KURKYZTESA-N 1 2 327.428 2.206 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)CCC3CCC3)C2)nn1 ZINC001185907194 1278841814 /nfs/dbraw/zinc/84/18/14/1278841814.db2.gz HETAIZOERMBEDL-SFHVURJKSA-N 1 2 343.475 2.135 20 30 EEEDLO C=CCCn1cc(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)nn1 ZINC000850117598 1277044886 /nfs/dbraw/zinc/04/48/86/1277044886.db2.gz ITDATPBDIUVOBR-OAHLLOKOSA-N 1 2 340.349 2.394 20 30 EEEDLO C[C@H]([NH2+][C@@H]1CCN(C(=O)CC#Cc2ccccc2)C1)c1csnn1 ZINC001188033333 1279752668 /nfs/dbraw/zinc/75/26/68/1279752668.db2.gz UAMOMTZTYASRSO-GOEBONIOSA-N 1 2 340.452 2.231 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@H](C)OC)C1 ZINC001189799923 1280519921 /nfs/dbraw/zinc/51/99/21/1280519921.db2.gz ZZMIINDIRDFNRH-QWHCGFSZSA-N 1 2 333.270 2.243 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)CC[C@H](C)OC)C1 ZINC001189799923 1280519930 /nfs/dbraw/zinc/51/99/30/1280519930.db2.gz ZZMIINDIRDFNRH-QWHCGFSZSA-N 1 2 333.270 2.243 20 30 EEEDLO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(C)c2)C1 ZINC001189910528 1280547067 /nfs/dbraw/zinc/54/70/67/1280547067.db2.gz PWYFCLKMLPBQBZ-GOSISDBHSA-N 1 2 341.455 2.270 20 30 EEEDLO C#CCCCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C)c2)C1 ZINC001189910528 1280547078 /nfs/dbraw/zinc/54/70/78/1280547078.db2.gz PWYFCLKMLPBQBZ-GOSISDBHSA-N 1 2 341.455 2.270 20 30 EEEDLO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2nc(-c3ccoc3)no2)C1 ZINC001189910402 1280547835 /nfs/dbraw/zinc/54/78/35/1280547835.db2.gz OHZXIJPKZLLQOV-OAHLLOKOSA-N 1 2 342.399 2.166 20 30 EEEDLO C#CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(-c3ccoc3)no2)C1 ZINC001189910402 1280547842 /nfs/dbraw/zinc/54/78/42/1280547842.db2.gz OHZXIJPKZLLQOV-OAHLLOKOSA-N 1 2 342.399 2.166 20 30 EEEDLO C#CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2c(C)nn(C)c2Cl)C1 ZINC001189911167 1280548357 /nfs/dbraw/zinc/54/83/57/1280548357.db2.gz XWCMFAVKAYIRLB-CQSZACIVSA-N 1 2 336.867 2.218 20 30 EEEDLO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2c(C)nn(C)c2Cl)C1 ZINC001189911167 1280548366 /nfs/dbraw/zinc/54/83/66/1280548366.db2.gz XWCMFAVKAYIRLB-CQSZACIVSA-N 1 2 336.867 2.218 20 30 EEEDLO C=C[C@@H]1C[C@]1(NC(=O)c1ccccc1-n1cc[nH+]c1)C(=O)OCC ZINC001190106868 1280660870 /nfs/dbraw/zinc/66/08/70/1280660870.db2.gz MTIQBXHGGMKKCU-FZKQIMNGSA-N 1 2 325.368 2.110 20 30 EEEDLO C#CCOCCC(=O)N1CC[C@@H]([N@H+](C)Cc2csc(C3CC3)n2)C1 ZINC001190119735 1280693702 /nfs/dbraw/zinc/69/37/02/1280693702.db2.gz CGFFNJLHFPJKFI-MRXNPFEDSA-N 1 2 347.484 2.093 20 30 EEEDLO C#CCOCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(C3CC3)n2)C1 ZINC001190119735 1280693710 /nfs/dbraw/zinc/69/37/10/1280693710.db2.gz CGFFNJLHFPJKFI-MRXNPFEDSA-N 1 2 347.484 2.093 20 30 EEEDLO C#CCC1(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H](C)c3nnc(C)o3)C2)CCC1 ZINC001190604283 1280973217 /nfs/dbraw/zinc/97/32/17/1280973217.db2.gz OSIQPTYMHNIMLY-DZGCQCFKSA-N 1 2 330.432 2.165 20 30 EEEDLO C#CCC1(C(=O)N2CC[C@@H]([N@H+](C)[C@@H](C)c3nnc(C)o3)C2)CCC1 ZINC001190604283 1280973223 /nfs/dbraw/zinc/97/32/23/1280973223.db2.gz OSIQPTYMHNIMLY-DZGCQCFKSA-N 1 2 330.432 2.165 20 30 EEEDLO C=CCN1C[C@]2(CC[N@H+](Cc3nc(C4CC4)cs3)C2)OCC1=O ZINC001273610169 1281123592 /nfs/dbraw/zinc/12/35/92/1281123592.db2.gz OKWYTFBZFGLGBT-QGZVFWFLSA-N 1 2 333.457 2.010 20 30 EEEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3nc(C4CC4)cs3)C2)OCC1=O ZINC001273610169 1281123597 /nfs/dbraw/zinc/12/35/97/1281123597.db2.gz 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C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC(C)(C)C ZINC001234563320 1304970912 /nfs/dbraw/zinc/97/09/12/1304970912.db2.gz PQMBFRROQICQJJ-LSDHHAIUSA-N 1 2 337.508 2.425 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCN(C2CCC2)C1=O ZINC001234624313 1304990177 /nfs/dbraw/zinc/99/01/77/1304990177.db2.gz BFXHJPWQIBTILJ-IAGOWNOFSA-N 1 2 333.476 2.029 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCN(C2CCC2)C1=O ZINC001234624313 1304990178 /nfs/dbraw/zinc/99/01/78/1304990178.db2.gz BFXHJPWQIBTILJ-IAGOWNOFSA-N 1 2 333.476 2.029 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C1CCC1 ZINC001235741556 1305358247 /nfs/dbraw/zinc/35/82/47/1305358247.db2.gz IHEWLMKCVIOQJS-SJLPKXTDSA-N 1 2 349.519 2.380 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C1CCC1 ZINC001235741556 1305358254 /nfs/dbraw/zinc/35/82/54/1305358254.db2.gz IHEWLMKCVIOQJS-SJLPKXTDSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)[C@H](CNc1nc(N(C)C)nc(C)[nH+]1)C1CC1 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HOKTWZJKACDQIO-AWEZNQCLSA-N 1 2 343.475 2.411 20 30 EEEDLO N#Cc1cc(F)cnc1-c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001240447787 1309328126 /nfs/dbraw/zinc/32/81/26/1309328126.db2.gz TXZYMKYJCNJOHW-UHFFFAOYSA-N 1 2 327.359 2.470 20 30 EEEDLO N#Cc1cc(F)ccc1-c1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001242583568 1309684301 /nfs/dbraw/zinc/68/43/01/1309684301.db2.gz AUILFYVXMFHTFX-UHFFFAOYSA-N 1 2 327.359 2.470 20 30 EEEDLO Cc1nc(N[C@H](C)CN(C)C(=O)C[C@H](C)n2cc[nH+]c2)ccc1C#N ZINC001120759114 1309732248 /nfs/dbraw/zinc/73/22/48/1309732248.db2.gz RKGZDSUEJPJHAX-KGLIPLIRSA-N 1 2 340.431 2.368 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)CC(C)(C)C ZINC001121635501 1310081060 /nfs/dbraw/zinc/08/10/60/1310081060.db2.gz CHZCCCKNTLJNII-UHFFFAOYSA-N 1 2 335.496 2.151 20 30 EEEDLO CCc1cc(N2CC[C@]3(NC(=O)[C@@H](C)C#N)CCC[C@@H]23)nc(C)[nH+]1 ZINC001123375527 1310539401 /nfs/dbraw/zinc/53/94/01/1310539401.db2.gz IGWKYYRVFYGMBU-WBHUJUFNSA-N 1 2 327.432 2.125 20 30 EEEDLO N#Cc1cccnc1NC[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001123887479 1310750779 /nfs/dbraw/zinc/75/07/79/1310750779.db2.gz PTDYSNWSNSOXKH-UKRRQHHQSA-N 1 2 338.415 2.006 20 30 EEEDLO N#Cc1cccnc1NC[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001123887479 1310750788 /nfs/dbraw/zinc/75/07/88/1310750788.db2.gz PTDYSNWSNSOXKH-UKRRQHHQSA-N 1 2 338.415 2.006 20 30 EEEDLO CCOC(=O)c1nc2c(o1)CC[N@H+](Cc1ccc(OC)cc1C#N)C2 ZINC001137706145 1314481388 /nfs/dbraw/zinc/48/13/88/1314481388.db2.gz PPIGGMOMKWWACB-UHFFFAOYSA-N 1 2 341.367 2.290 20 30 EEEDLO CCOC(=O)c1nc2c(o1)CC[N@@H+](Cc1ccc(OC)cc1C#N)C2 ZINC001137706145 1314481391 /nfs/dbraw/zinc/48/13/91/1314481391.db2.gz PPIGGMOMKWWACB-UHFFFAOYSA-N 1 2 341.367 2.290 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)nc1 ZINC001139496132 1314748696 /nfs/dbraw/zinc/74/86/96/1314748696.db2.gz GQIIVZHKDJGAGL-UHFFFAOYSA-N 1 2 336.395 2.062 20 30 EEEDLO C=CCOCC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000834649432 1314858458 /nfs/dbraw/zinc/85/84/58/1314858458.db2.gz WXOVHAFQVILDBC-UHFFFAOYSA-N 1 2 325.412 2.407 20 30 EEEDLO C=CCN1CCN(C[NH+]2CCC(Oc3cc(C)ccn3)CC2)C1=O ZINC000840040975 1315281346 /nfs/dbraw/zinc/28/13/46/1315281346.db2.gz BAUQDXDXHHOVFO-UHFFFAOYSA-N 1 2 330.432 2.114 20 30 EEEDLO CC(=NNC1=[NH+]CCN1)c1cc(Br)cc(Cl)c1O ZINC000841661401 1315592000 /nfs/dbraw/zinc/59/20/00/1315592000.db2.gz OSSROPQJYUKIEZ-UHFFFAOYSA-N 1 2 331.601 2.081 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccccc2I)C1 ZINC000843425180 1315912517 /nfs/dbraw/zinc/91/25/17/1315912517.db2.gz GTNJFLXMKCHNQL-ZDUSSCGKSA-N 1 2 342.180 2.142 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccccc2I)C1 ZINC000843425180 1315912521 /nfs/dbraw/zinc/91/25/21/1315912521.db2.gz GTNJFLXMKCHNQL-ZDUSSCGKSA-N 1 2 342.180 2.142 20 30 EEEDLO C#CCCCC(=O)NC[C@@H]1C[N@H+]([C@H](C)c2ncc(C)o2)CCCO1 ZINC001149639596 1316003529 /nfs/dbraw/zinc/00/35/29/1316003529.db2.gz NCLTWAXFNZPMCS-HZPDHXFCSA-N 1 2 333.432 2.055 20 30 EEEDLO C#CCCCC(=O)NC[C@@H]1C[N@@H+]([C@H](C)c2ncc(C)o2)CCCO1 ZINC001149639596 1316003532 /nfs/dbraw/zinc/00/35/32/1316003532.db2.gz NCLTWAXFNZPMCS-HZPDHXFCSA-N 1 2 333.432 2.055 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)C(F)(F)F)C1 ZINC001150109346 1316161173 /nfs/dbraw/zinc/16/11/73/1316161173.db2.gz OHCOMQPUSZBXMW-WDEREUQCSA-N 1 2 328.762 2.144 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)C(F)(F)F)C1 ZINC001150109346 1316161176 /nfs/dbraw/zinc/16/11/76/1316161176.db2.gz OHCOMQPUSZBXMW-WDEREUQCSA-N 1 2 328.762 2.144 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2cccc(C)c2)C1 ZINC001150246979 1316214175 /nfs/dbraw/zinc/21/41/75/1316214175.db2.gz JVYXUVGJAPPMKQ-QGZVFWFLSA-N 1 2 336.863 2.497 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)Cc2cccc(C)c2)C1 ZINC001150246979 1316214179 /nfs/dbraw/zinc/21/41/79/1316214179.db2.gz JVYXUVGJAPPMKQ-QGZVFWFLSA-N 1 2 336.863 2.497 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2nocc2C)CCCO1 ZINC001150248163 1316215432 /nfs/dbraw/zinc/21/54/32/1316215432.db2.gz RXEZVVRUEKFGQX-CRAIPNDOSA-N 1 2 335.448 2.292 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2nocc2C)CCCO1 ZINC001150248163 1316215437 /nfs/dbraw/zinc/21/54/37/1316215437.db2.gz RXEZVVRUEKFGQX-CRAIPNDOSA-N 1 2 335.448 2.292 20 30 EEEDLO C=CCOC(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c3cc[nH+]cc32)C1 ZINC001152977328 1316752282 /nfs/dbraw/zinc/75/22/82/1316752282.db2.gz OOYLVFMIMISIEE-GFCCVEGCSA-N 1 2 328.372 2.080 20 30 EEEDLO CC[N@H+](Cc1noc2c1CCCC2)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232805 1316794907 /nfs/dbraw/zinc/79/49/07/1316794907.db2.gz LITGDPKIFWGYIC-CQSZACIVSA-N 1 2 329.444 2.293 20 30 EEEDLO CC[N@@H+](Cc1noc2c1CCCC2)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232805 1316794908 /nfs/dbraw/zinc/79/49/08/1316794908.db2.gz LITGDPKIFWGYIC-CQSZACIVSA-N 1 2 329.444 2.293 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H](C)[N@H+](CC)Cc2ncc(CC)o2)c1 ZINC001155148693 1317474599 /nfs/dbraw/zinc/47/45/99/1317474599.db2.gz AAVXCCIOWGKTSK-CQSZACIVSA-N 1 2 340.427 2.254 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ncc(CC)o2)c1 ZINC001155148693 1317474603 /nfs/dbraw/zinc/47/46/03/1317474603.db2.gz AAVXCCIOWGKTSK-CQSZACIVSA-N 1 2 340.427 2.254 20 30 EEEDLO C=C[C@](C)(O)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001252558605 1317636796 /nfs/dbraw/zinc/63/67/96/1317636796.db2.gz YEPFTWUGHZIQFN-RISCZKNCSA-N 1 2 338.370 2.407 20 30 EEEDLO C=C[C@](C)(O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001252558605 1317636804 /nfs/dbraw/zinc/63/68/04/1317636804.db2.gz YEPFTWUGHZIQFN-RISCZKNCSA-N 1 2 338.370 2.407 20 30 EEEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@]1(C)CCOC1 ZINC001156035820 1317842833 /nfs/dbraw/zinc/84/28/33/1317842833.db2.gz HWRJWRAKQQDYOL-AUUYWEPGSA-N 1 2 347.434 2.451 20 30 EEEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@]1(C)CCOC1 ZINC001156035820 1317842840 /nfs/dbraw/zinc/84/28/40/1317842840.db2.gz HWRJWRAKQQDYOL-AUUYWEPGSA-N 1 2 347.434 2.451 20 30 EEEDLO CC[C@H](CC#N)[N@@H+]1CC[C@@]2(C1)COCc1c(C)nc(N(C)C)nc12 ZINC001255169548 1318309554 /nfs/dbraw/zinc/30/95/54/1318309554.db2.gz GWZJESYDAPSFAP-RDTXWAMCSA-N 1 2 329.448 2.017 20 30 EEEDLO CC[C@H](CC#N)[N@H+]1CC[C@@]2(C1)COCc1c(C)nc(N(C)C)nc12 ZINC001255169548 1318309561 /nfs/dbraw/zinc/30/95/61/1318309561.db2.gz GWZJESYDAPSFAP-RDTXWAMCSA-N 1 2 329.448 2.017 20 30 EEEDLO C=C[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1cn(C)nn1)c1ccccc1 ZINC001157046695 1318365971 /nfs/dbraw/zinc/36/59/71/1318365971.db2.gz CRQYROUAZFMNEQ-CRAIPNDOSA-N 1 2 341.459 2.112 20 30 EEEDLO C=C[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cn(C)nn1)c1ccccc1 ZINC001157046695 1318365980 /nfs/dbraw/zinc/36/59/80/1318365980.db2.gz CRQYROUAZFMNEQ-CRAIPNDOSA-N 1 2 341.459 2.112 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(CC)o1 ZINC001157944635 1318941460 /nfs/dbraw/zinc/94/14/60/1318941460.db2.gz AZTGIZYTKRHHEP-HZPDHXFCSA-N 1 2 347.459 2.088 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(CC)o1 ZINC001157944635 1318941462 /nfs/dbraw/zinc/94/14/62/1318941462.db2.gz AZTGIZYTKRHHEP-HZPDHXFCSA-N 1 2 347.459 2.088 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccn(CC)n1 ZINC001158949413 1319525388 /nfs/dbraw/zinc/52/53/88/1319525388.db2.gz NZTMTALFNAAOFE-SJLPKXTDSA-N 1 2 348.491 2.307 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccn(CC)n1 ZINC001158949413 1319525395 /nfs/dbraw/zinc/52/53/95/1319525395.db2.gz NZTMTALFNAAOFE-SJLPKXTDSA-N 1 2 348.491 2.307 20 30 EEEDLO COC(=O)c1cc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)ncc1N ZINC001160020775 1320049984 /nfs/dbraw/zinc/04/99/84/1320049984.db2.gz FXOUTGUGVQTNOL-UHFFFAOYSA-N 1 2 336.351 2.346 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnnn2C)CC1 ZINC001160991522 1320345538 /nfs/dbraw/zinc/34/55/38/1320345538.db2.gz PFWCJPHZGXUNTQ-GJZGRUSLSA-N 1 2 346.479 2.012 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnnn2C)CC1 ZINC001160991522 1320345543 /nfs/dbraw/zinc/34/55/43/1320345543.db2.gz PFWCJPHZGXUNTQ-GJZGRUSLSA-N 1 2 346.479 2.012 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2ncc(C)o2)CC1 ZINC001161972816 1320702674 /nfs/dbraw/zinc/70/26/74/1320702674.db2.gz MYOMLMHWDANNFN-HNNXBMFYSA-N 1 2 333.432 2.213 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(C)o2)CC1 ZINC001161972816 1320702678 /nfs/dbraw/zinc/70/26/78/1320702678.db2.gz MYOMLMHWDANNFN-HNNXBMFYSA-N 1 2 333.432 2.213 20 30 EEEDLO Cc1nc(NC[C@@H]2C[N@H+](C)CCO2)c(C#N)c(C)c1Br ZINC001162688519 1320931387 /nfs/dbraw/zinc/93/13/87/1320931387.db2.gz QJQGPDWKUZSURB-LLVKDONJSA-N 1 2 339.237 2.075 20 30 EEEDLO Cc1nc(NC[C@@H]2C[N@@H+](C)CCO2)c(C#N)c(C)c1Br ZINC001162688519 1320931388 /nfs/dbraw/zinc/93/13/88/1320931388.db2.gz QJQGPDWKUZSURB-LLVKDONJSA-N 1 2 339.237 2.075 20 30 EEEDLO C#C[C@H](C)Nc1cc(N2CCN(c3ccccc3F)CC2)nc[nH+]1 ZINC001163161461 1321054904 /nfs/dbraw/zinc/05/49/04/1321054904.db2.gz JYCVCAKKQNNFCB-AWEZNQCLSA-N 1 2 325.391 2.376 20 30 EEEDLO C#C[C@H](C)Nc1cc(N2CCN(c3ccccc3F)CC2)[nH+]cn1 ZINC001163161461 1321054907 /nfs/dbraw/zinc/05/49/07/1321054907.db2.gz JYCVCAKKQNNFCB-AWEZNQCLSA-N 1 2 325.391 2.376 20 30 EEEDLO N#Cc1cc(N2CC[NH2+]CC(F)(F)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164502489 1321399679 /nfs/dbraw/zinc/39/96/79/1321399679.db2.gz WHMIRJSUXCEZAX-UHFFFAOYSA-N 1 2 333.298 2.060 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCOC[C@]2(CCN(c3ncccn3)C2)C1 ZINC001204367710 1322131469 /nfs/dbraw/zinc/13/14/69/1322131469.db2.gz PGEMBDUWBMEMJS-HXUWFJFHSA-N 1 2 349.438 2.077 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCOC[C@]2(CCN(c3ncccn3)C2)C1 ZINC001204367710 1322131473 /nfs/dbraw/zinc/13/14/73/1322131473.db2.gz PGEMBDUWBMEMJS-HXUWFJFHSA-N 1 2 349.438 2.077 20 30 EEEDLO C=C1CC(C)(C(=O)N(Cc2ccccc2)[C@@H]2C[N@H+](CCF)C[C@H]2O)C1 ZINC001205188372 1322308269 /nfs/dbraw/zinc/30/82/69/1322308269.db2.gz HIVUECUWJXVRGP-QZTJIDSGSA-N 1 2 346.446 2.386 20 30 EEEDLO C=C1CC(C)(C(=O)N(Cc2ccccc2)[C@@H]2C[N@@H+](CCF)C[C@H]2O)C1 ZINC001205188372 1322308277 /nfs/dbraw/zinc/30/82/77/1322308277.db2.gz HIVUECUWJXVRGP-QZTJIDSGSA-N 1 2 346.446 2.386 20 30 EEEDLO C[C@@H](C#N)CN(C)c1nnc(Cc2[nH+]ccn2C)n1Cc1ccccc1 ZINC001263164466 1322439820 /nfs/dbraw/zinc/43/98/20/1322439820.db2.gz WUHKPWMETJJVRY-HNNXBMFYSA-N 1 2 349.442 2.247 20 30 EEEDLO CCOCCCn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)C[C@@H](C)C#N ZINC001263368951 1322471907 /nfs/dbraw/zinc/47/19/07/1322471907.db2.gz IEBWUUPPUXOCFB-LSDHHAIUSA-N 1 2 334.468 2.067 20 30 EEEDLO CCOCCCn1c([C@H]2CCC[N@H+]2C)nnc1N(C)C[C@@H](C)C#N ZINC001263368951 1322471910 /nfs/dbraw/zinc/47/19/10/1322471910.db2.gz IEBWUUPPUXOCFB-LSDHHAIUSA-N 1 2 334.468 2.067 20 30 EEEDLO CC(=O)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001205984560 1323361621 /nfs/dbraw/zinc/36/16/21/1323361621.db2.gz ZINHGXPERRTCQD-RDTXWAMCSA-N 1 2 327.428 2.254 20 30 EEEDLO CC(=O)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001205984560 1323361625 /nfs/dbraw/zinc/36/16/25/1323361625.db2.gz ZINHGXPERRTCQD-RDTXWAMCSA-N 1 2 327.428 2.254 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCCO2)C1 ZINC001206142358 1323403912 /nfs/dbraw/zinc/40/39/12/1323403912.db2.gz KLACASLLMQXNQG-MRVWCRGKSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCCO2)C1 ZINC001206142358 1323403915 /nfs/dbraw/zinc/40/39/15/1323403915.db2.gz KLACASLLMQXNQG-MRVWCRGKSA-N 1 2 345.281 2.291 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2nc(C)cs2)C[C@H]1C ZINC001206479675 1323506671 /nfs/dbraw/zinc/50/66/71/1323506671.db2.gz RQYCUJAWVMJQCE-VHDGCEQUSA-N 1 2 337.489 2.369 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)cs2)C[C@H]1C ZINC001206479675 1323506676 /nfs/dbraw/zinc/50/66/76/1323506676.db2.gz RQYCUJAWVMJQCE-VHDGCEQUSA-N 1 2 337.489 2.369 20 30 EEEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC(F)(F)C[C@@H]2C)c1 ZINC001307983409 1331556483 /nfs/dbraw/zinc/55/64/83/1331556483.db2.gz YZWJMZSLIIEMGE-LBPRGKRZSA-N 1 2 335.354 2.436 20 30 EEEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC(F)(F)C[C@@H]2C)c1 ZINC001307983409 1331556498 /nfs/dbraw/zinc/55/64/98/1331556498.db2.gz YZWJMZSLIIEMGE-LBPRGKRZSA-N 1 2 335.354 2.436 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)c2ccccc2)C1 ZINC001316984689 1332029842 /nfs/dbraw/zinc/02/98/42/1332029842.db2.gz DRTITISHBVIGNN-IAGOWNOFSA-N 1 2 343.471 2.442 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccccc2)C1 ZINC001316984689 1332029845 /nfs/dbraw/zinc/02/98/45/1332029845.db2.gz DRTITISHBVIGNN-IAGOWNOFSA-N 1 2 343.471 2.442 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCC(CCCC)CC2)C1 ZINC001318366913 1332517936 /nfs/dbraw/zinc/51/79/36/1332517936.db2.gz LTAHDJQAMVSVFV-DAWZGUTISA-N 1 2 349.519 2.476 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCC(CCCC)CC2)C1 ZINC001318366913 1332517941 /nfs/dbraw/zinc/51/79/41/1332517941.db2.gz LTAHDJQAMVSVFV-DAWZGUTISA-N 1 2 349.519 2.476 20 30 EEEDLO C=CC[C@@H]([NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)OCC ZINC001327951422 1334368853 /nfs/dbraw/zinc/36/88/53/1334368853.db2.gz GHFMKANRGGXUPL-CZUORRHYSA-N 1 2 339.457 2.291 20 30 EEEDLO Cc1cc(C)c(CNC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)c[nH+]1 ZINC001331720942 1335063072 /nfs/dbraw/zinc/06/30/72/1335063072.db2.gz KBZMRZYZAFAQKD-CQSZACIVSA-N 1 2 336.395 2.064 20 30 EEEDLO C#CCN(CC)c1nnc(Cc2[nH+]ccn2Cc2ccccc2)n1C ZINC001337927507 1336757007 /nfs/dbraw/zinc/75/70/07/1336757007.db2.gz JBWUXLVXKQGSKK-UHFFFAOYSA-N 1 2 334.427 2.110 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H](COC)C1 ZINC001338927022 1336933319 /nfs/dbraw/zinc/93/33/19/1336933319.db2.gz KMYYEKPLEQCILA-MRXNPFEDSA-N 1 2 333.480 2.313 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001340103702 1337123052 /nfs/dbraw/zinc/12/30/52/1337123052.db2.gz CESMKCIPEAEDHX-RDJZCZTQSA-N 1 2 332.448 2.290 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)CCC1CCOCC1 ZINC001340733088 1337237474 /nfs/dbraw/zinc/23/74/74/1337237474.db2.gz MTLWSYAVCUFHET-UHFFFAOYSA-N 1 2 344.463 2.041 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@]3(C)CCC=CO3)n2CC(=C)C)CC1 ZINC001342039423 1337307951 /nfs/dbraw/zinc/30/79/51/1337307951.db2.gz YHUUCHVYIQCADT-IBGZPJMESA-N 1 2 341.459 2.149 20 30 EEEDLO N#Cc1c(N)sc2c1CCN(C(=O)Nc1ccn3cc[nH+]c3c1)C2 ZINC001677210047 1357295583 /nfs/dbraw/zinc/29/55/83/1357295583.db2.gz SNINZNOEPRNEEF-UHFFFAOYSA-N 1 2 338.396 2.440 20 30 EEEDLO C=CCC1(O)CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC001588556704 1348915846 /nfs/dbraw/zinc/91/58/46/1348915846.db2.gz DSWPYBIIWVCJMA-UHFFFAOYSA-N 1 2 336.399 2.322 20 30 EEEDLO C#CC(C)(C)[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1Br ZINC001602689352 1350573248 /nfs/dbraw/zinc/57/32/48/1350573248.db2.gz DRQQWXZJYSCQSH-UHFFFAOYSA-N 1 2 334.221 2.473 20 30 EEEDLO C#CC(C)(C)[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1Br ZINC001602689352 1350573252 /nfs/dbraw/zinc/57/32/52/1350573252.db2.gz DRQQWXZJYSCQSH-UHFFFAOYSA-N 1 2 334.221 2.473 20 30 EEEDLO CNc1cc(N2CCN(c3ccc(C#N)cc3Cl)CC2)nc[nH+]1 ZINC001647475599 1353291321 /nfs/dbraw/zinc/29/13/21/1353291321.db2.gz VPEBTRJDQVYJOV-UHFFFAOYSA-N 1 2 328.807 2.370 20 30 EEEDLO CNc1cc(N2CCN(c3ccc(C#N)cc3Cl)CC2)[nH+]cn1 ZINC001647475599 1353291322 /nfs/dbraw/zinc/29/13/22/1353291322.db2.gz VPEBTRJDQVYJOV-UHFFFAOYSA-N 1 2 328.807 2.370 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C2(CC)CCCC2)CC1 ZINC001197639948 1368624070 /nfs/dbraw/zinc/62/40/70/1368624070.db2.gz GNHGBJDGYNJIFF-INIZCTEOSA-N 1 2 335.492 2.182 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C2(CC)CCCC2)CC1 ZINC001197639948 1368624074 /nfs/dbraw/zinc/62/40/74/1368624074.db2.gz GNHGBJDGYNJIFF-INIZCTEOSA-N 1 2 335.492 2.182 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)C ZINC001110603590 1369149423 /nfs/dbraw/zinc/14/94/23/1369149423.db2.gz KNHQKMXRLPUNAJ-OAGGEKHMSA-N 1 2 335.492 2.082 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)C ZINC001110603590 1369149427 /nfs/dbraw/zinc/14/94/27/1369149427.db2.gz KNHQKMXRLPUNAJ-OAGGEKHMSA-N 1 2 335.492 2.082 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H](C)OCC)CC1 ZINC001490398433 1369207798 /nfs/dbraw/zinc/20/77/98/1369207798.db2.gz IKQVVPRQIANFKE-GFCCVEGCSA-N 1 2 333.270 2.243 20 30 EEEDLO N#CC[C@H]1CCC[N@@H+](CN2C(=O)C[C@]3(CCc4ccccc43)C2=O)C1 ZINC000853523422 1369345850 /nfs/dbraw/zinc/34/58/50/1369345850.db2.gz CZYGQPBGPREGFX-QRWLVFNGSA-N 1 2 337.423 2.213 20 30 EEEDLO N#CC[C@H]1CCC[N@H+](CN2C(=O)C[C@]3(CCc4ccccc43)C2=O)C1 ZINC000853523422 1369345853 /nfs/dbraw/zinc/34/58/53/1369345853.db2.gz CZYGQPBGPREGFX-QRWLVFNGSA-N 1 2 337.423 2.213 20 30 EEEDLO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000886771188 1369667522 /nfs/dbraw/zinc/66/75/22/1369667522.db2.gz DLIXDMUMDCHCHB-ZDUSSCGKSA-N 1 2 331.416 2.498 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001071064896 1370383603 /nfs/dbraw/zinc/38/36/03/1370383603.db2.gz RAFLNPYFBHQNQZ-OAHLLOKOSA-N 1 2 346.475 2.062 20 30 EEEDLO C#CCOCCC(=O)N1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)[C@@H](C)C1 ZINC001112327118 1371396399 /nfs/dbraw/zinc/39/63/99/1371396399.db2.gz LNBYTWPJKTZXNZ-HOCLYGCPSA-N 1 2 344.459 2.207 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC(OCC)CC1 ZINC001121622914 1371908526 /nfs/dbraw/zinc/90/85/26/1371908526.db2.gz GAEJGRHHOVAMIY-UHFFFAOYSA-N 1 2 333.480 2.455 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2CCC[N@@H+]2C)n1C[C@H]1CCCCO1 ZINC001123269160 1372114227 /nfs/dbraw/zinc/11/42/27/1372114227.db2.gz YGDOKFQKFYCYRJ-XHSDSOJGSA-N 1 2 331.464 2.072 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2CCC[N@H+]2C)n1C[C@H]1CCCCO1 ZINC001123269160 1372114231 /nfs/dbraw/zinc/11/42/31/1372114231.db2.gz YGDOKFQKFYCYRJ-XHSDSOJGSA-N 1 2 331.464 2.072 20 30 EEEDLO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2cn3c(n2)COCC3)C1 ZINC001141537463 1372870822 /nfs/dbraw/zinc/87/08/22/1372870822.db2.gz VUNQCIHKSHOTDM-QGZVFWFLSA-N 1 2 338.411 2.328 20 30 EEEDLO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cn3c(n2)COCC3)C1 ZINC001141537463 1372870827 /nfs/dbraw/zinc/87/08/27/1372870827.db2.gz VUNQCIHKSHOTDM-QGZVFWFLSA-N 1 2 338.411 2.328 20 30 EEEDLO C[N@H+](CCNC(=O)CC[C@@H]1CCOC1)Cc1cc(C#N)ccc1F ZINC001366524520 1373936891 /nfs/dbraw/zinc/93/68/91/1373936891.db2.gz YAHBHKGSYZBMHI-CQSZACIVSA-N 1 2 333.407 2.062 20 30 EEEDLO C[N@@H+](CCNC(=O)CC[C@@H]1CCOC1)Cc1cc(C#N)ccc1F ZINC001366524520 1373936893 /nfs/dbraw/zinc/93/68/93/1373936893.db2.gz YAHBHKGSYZBMHI-CQSZACIVSA-N 1 2 333.407 2.062 20 30 EEEDLO COCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001368399031 1374383853 /nfs/dbraw/zinc/38/38/53/1374383853.db2.gz TXOMPLGMBQZTFU-INIZCTEOSA-N 1 2 347.434 2.403 20 30 EEEDLO COCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001368399031 1374383857 /nfs/dbraw/zinc/38/38/57/1374383857.db2.gz TXOMPLGMBQZTFU-INIZCTEOSA-N 1 2 347.434 2.403 20 30 EEEDLO COCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)CCC1 ZINC001370005527 1374747218 /nfs/dbraw/zinc/74/72/18/1374747218.db2.gz TZDTWWFKCFUDDS-KRWDZBQOSA-N 1 2 327.428 2.065 20 30 EEEDLO COCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CCC1 ZINC001370005527 1374747225 /nfs/dbraw/zinc/74/72/25/1374747225.db2.gz TZDTWWFKCFUDDS-KRWDZBQOSA-N 1 2 327.428 2.065 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001374534189 1376912226 /nfs/dbraw/zinc/91/22/26/1376912226.db2.gz NJMPAGOYMVJTCH-KURKYZTESA-N 1 2 327.428 2.016 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001374534189 1376912230 /nfs/dbraw/zinc/91/22/30/1376912230.db2.gz NJMPAGOYMVJTCH-KURKYZTESA-N 1 2 327.428 2.016 20 30 EEEDLO CCC1(C(=O)NCCN2CC[NH+](Cc3ccc(C#N)s3)CC2)CC1 ZINC001376094910 1378293766 /nfs/dbraw/zinc/29/37/66/1378293766.db2.gz FKCJOVRRQSHODW-UHFFFAOYSA-N 1 2 346.500 2.044 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCNC(=O)c1ccsc1 ZINC001378065917 1379679124 /nfs/dbraw/zinc/67/91/24/1379679124.db2.gz CSTTUDBDJJBZKD-LBPRGKRZSA-N 1 2 343.880 2.057 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCNC(=O)c1ccsc1 ZINC001378065917 1379679129 /nfs/dbraw/zinc/67/91/29/1379679129.db2.gz CSTTUDBDJJBZKD-LBPRGKRZSA-N 1 2 343.880 2.057 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)CCc1ccon1 ZINC001380966509 1381470460 /nfs/dbraw/zinc/47/04/60/1381470460.db2.gz KYFQMNHZLBDCDO-UHFFFAOYSA-N 1 2 344.253 2.296 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)CCc1ccon1 ZINC001380966509 1381470465 /nfs/dbraw/zinc/47/04/65/1381470465.db2.gz KYFQMNHZLBDCDO-UHFFFAOYSA-N 1 2 344.253 2.296 20 30 EEEDLO Cc1cc(C)c(C(=O)N2CCC(CNC(=O)[C@@H](C)C#N)CC2)c(C)[nH+]1 ZINC001385446802 1385577887 /nfs/dbraw/zinc/57/78/87/1385577887.db2.gz ALVZVIUTJBRZDP-ZDUSSCGKSA-N 1 2 342.443 2.135 20 30 EEEDLO C=CCOCCCC(=O)N(C)C1CC[NH+]([C@H](C)c2nnc(C)[nH]2)CC1 ZINC001752298597 1406269516 /nfs/dbraw/zinc/26/95/16/1406269516.db2.gz YEWDLKFLJVYYOT-CQSZACIVSA-N 1 2 349.479 2.080 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCC[C@@H](C[N@H+](C)Cc2nncn2C)C1 ZINC001752516373 1406316150 /nfs/dbraw/zinc/31/61/50/1406316150.db2.gz DODKHHZBYFHZSP-CVEARBPZSA-N 1 2 333.480 2.088 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2nncn2C)C1 ZINC001752516373 1406316161 /nfs/dbraw/zinc/31/61/61/1406316161.db2.gz DODKHHZBYFHZSP-CVEARBPZSA-N 1 2 333.480 2.088 20 30 EEEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)CC(F)(F)F)C2)ccc1F ZINC001391476421 1389384482 /nfs/dbraw/zinc/38/44/82/1389384482.db2.gz LJYRMYZKRNALFI-UHFFFAOYSA-N 1 2 329.297 2.198 20 30 EEEDLO C[N@H+](CCNC(=O)c1cc2c[nH]ccc-2n1)Cc1ccccc1C#N ZINC001753056015 1406645439 /nfs/dbraw/zinc/64/54/39/1406645439.db2.gz NPPRXIACLVJMCF-UHFFFAOYSA-N 1 2 333.395 2.296 20 30 EEEDLO C[N@@H+](CCNC(=O)c1cc2c[nH]ccc-2n1)Cc1ccccc1C#N ZINC001753056015 1406645444 /nfs/dbraw/zinc/64/54/44/1406645444.db2.gz NPPRXIACLVJMCF-UHFFFAOYSA-N 1 2 333.395 2.296 20 30 EEEDLO CN(CCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1ccccc1C#N ZINC001753056015 1406645450 /nfs/dbraw/zinc/64/54/50/1406645450.db2.gz NPPRXIACLVJMCF-UHFFFAOYSA-N 1 2 333.395 2.296 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CCOC1 ZINC001398765043 1394179363 /nfs/dbraw/zinc/17/93/63/1394179363.db2.gz YLNCJMTVCFCDCX-ZIAGYGMSSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CCOC1 ZINC001398765043 1394179366 /nfs/dbraw/zinc/17/93/66/1394179366.db2.gz YLNCJMTVCFCDCX-ZIAGYGMSSA-N 1 2 345.281 2.292 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+]1CCC[C@@H]1CNC(=O)CSCC#N ZINC001753100222 1406682615 /nfs/dbraw/zinc/68/26/15/1406682615.db2.gz UFOWXFISVJOJFG-CYBMUJFWSA-N 1 2 336.461 2.135 20 30 EEEDLO CC(C)c1ocnc1C[N@H+]1CCC[C@@H]1CNC(=O)CSCC#N ZINC001753100222 1406682625 /nfs/dbraw/zinc/68/26/25/1406682625.db2.gz UFOWXFISVJOJFG-CYBMUJFWSA-N 1 2 336.461 2.135 20 30 EEEDLO CO[C@H](CC(C)C)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001400525647 1396405972 /nfs/dbraw/zinc/40/59/72/1396405972.db2.gz IEWCUVHAWSETOZ-GOSISDBHSA-N 1 2 347.434 2.306 20 30 EEEDLO C[C@@H](C[N@H+](C)Cc1nc(-c2ccccc2)no1)NC(=O)C#CC1CC1 ZINC001754310336 1406886377 /nfs/dbraw/zinc/88/63/77/1406886377.db2.gz HKMHHJFNFHBMAC-AWEZNQCLSA-N 1 2 338.411 2.087 20 30 EEEDLO C[C@@H](C[N@@H+](C)Cc1nc(-c2ccccc2)no1)NC(=O)C#CC1CC1 ZINC001754310336 1406886384 /nfs/dbraw/zinc/88/63/84/1406886384.db2.gz HKMHHJFNFHBMAC-AWEZNQCLSA-N 1 2 338.411 2.087 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC(C)C)NC(C)=O ZINC001402738494 1398165404 /nfs/dbraw/zinc/16/54/04/1398165404.db2.gz SJFUSJYJOUBXPJ-HZPDHXFCSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC(C)C)NC(C)=O ZINC001402738494 1398165405 /nfs/dbraw/zinc/16/54/05/1398165405.db2.gz SJFUSJYJOUBXPJ-HZPDHXFCSA-N 1 2 343.899 2.260 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)CCc3ccc(OC)nc3)cc2C1 ZINC001755101894 1407116483 /nfs/dbraw/zinc/11/64/83/1407116483.db2.gz AFKICMYIQPCVTL-UHFFFAOYSA-N 1 2 349.434 2.288 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)CCc3ccc(OC)nc3)cc2C1 ZINC001755101894 1407116489 /nfs/dbraw/zinc/11/64/89/1407116489.db2.gz AFKICMYIQPCVTL-UHFFFAOYSA-N 1 2 349.434 2.288 20 30 EEEDLO COCC[N@H+](CCNC(=O)C1(C)CCC1)Cc1cc(C#N)ccc1F ZINC001423637426 1400714228 /nfs/dbraw/zinc/71/42/28/1400714228.db2.gz MCIBBIIGMRPUEU-UHFFFAOYSA-N 1 2 347.434 2.452 20 30 EEEDLO COCC[N@@H+](CCNC(=O)C1(C)CCC1)Cc1cc(C#N)ccc1F ZINC001423637426 1400714233 /nfs/dbraw/zinc/71/42/33/1400714233.db2.gz MCIBBIIGMRPUEU-UHFFFAOYSA-N 1 2 347.434 2.452 20 30 EEEDLO COCC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CC(C)C1 ZINC001755172075 1407183782 /nfs/dbraw/zinc/18/37/82/1407183782.db2.gz JRTYJWUCGORGJA-OUNSHVDWSA-N 1 2 340.467 2.398 20 30 EEEDLO COCC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CC(C)C1 ZINC001755172075 1407183788 /nfs/dbraw/zinc/18/37/88/1407183788.db2.gz JRTYJWUCGORGJA-OUNSHVDWSA-N 1 2 340.467 2.398 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CCCCC[N@H+]1Cc1nc(N(C)C)no1 ZINC001755368190 1407370217 /nfs/dbraw/zinc/37/02/17/1407370217.db2.gz MOYBBUZAZIWTCR-OAHLLOKOSA-N 1 2 349.479 2.353 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CCCCC[N@@H+]1Cc1nc(N(C)C)no1 ZINC001755368190 1407370224 /nfs/dbraw/zinc/37/02/24/1407370224.db2.gz MOYBBUZAZIWTCR-OAHLLOKOSA-N 1 2 349.479 2.353 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC(C)C)CC1(C)C ZINC001755412951 1407430228 /nfs/dbraw/zinc/43/02/28/1407430228.db2.gz ZFDOKJYRMWLIMQ-OAHLLOKOSA-N 1 2 337.508 2.188 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC(C)C)CC1(C)C ZINC001755412951 1407430240 /nfs/dbraw/zinc/43/02/40/1407430240.db2.gz ZFDOKJYRMWLIMQ-OAHLLOKOSA-N 1 2 337.508 2.188 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H](CO)[NH2+]Cc2cc(F)ccc2C#N)CC1 ZINC001755637839 1407697925 /nfs/dbraw/zinc/69/79/25/1407697925.db2.gz HXVHBXOVZLYCII-GOSISDBHSA-N 1 2 345.418 2.010 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(CC(F)(F)F)no2)[C@H]1C ZINC001755651819 1407705154 /nfs/dbraw/zinc/70/51/54/1407705154.db2.gz LFLFLGCVFDKAPO-GHMZBOCLSA-N 1 2 346.353 2.220 20 30 EEEDLO C#CCCCCCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1ncnn1C)CC2 ZINC001755700820 1407749008 /nfs/dbraw/zinc/74/90/08/1407749008.db2.gz LCDCSEZMNABUNM-LPHOPBHVSA-N 1 2 343.475 2.012 20 30 EEEDLO C#CCCCCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1ncnn1C)CC2 ZINC001755700820 1407749010 /nfs/dbraw/zinc/74/90/10/1407749010.db2.gz LCDCSEZMNABUNM-LPHOPBHVSA-N 1 2 343.475 2.012 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001756043095 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C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2nc(C)c(C)s2)CC1 ZINC000981993019 778799607 /nfs/dbraw/zinc/79/96/07/778799607.db2.gz VGEIDEYZCGAXRC-CVEARBPZSA-N 1 2 349.500 2.385 20 30 EEEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)CCCCCC)C2)nn1 ZINC001105359735 778978202 /nfs/dbraw/zinc/97/82/02/778978202.db2.gz UIFKNCBHQCWFNQ-MRXNPFEDSA-N 1 2 345.491 2.381 20 30 EEEDLO Cc1cc(N[C@H]2C[C@H](CNC(=O)CSCC#N)C2)nc(C2CC2)[nH+]1 ZINC001091430161 790725817 /nfs/dbraw/zinc/72/58/17/790725817.db2.gz SIPRYUPLKWKXFE-MQMHXKEQSA-N 1 2 345.472 2.226 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ncoc1-c1ccon1 ZINC001028266271 779803523 /nfs/dbraw/zinc/80/35/23/779803523.db2.gz SNQRTEXABYYJQL-LLVKDONJSA-N 1 2 336.779 2.276 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ncoc1-c1ccon1 ZINC001028266271 779803535 /nfs/dbraw/zinc/80/35/35/779803535.db2.gz SNQRTEXABYYJQL-LLVKDONJSA-N 1 2 336.779 2.276 20 30 EEEDLO Cc1cc(N(C)CCN(C)C(=O)c2cc(C#N)c[nH]2)nc(C(C)C)[nH+]1 ZINC001105376538 781075539 /nfs/dbraw/zinc/07/55/39/781075539.db2.gz XEXMHMFSVSUVJR-UHFFFAOYSA-N 1 2 340.431 2.317 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](Cc3cccc(F)c3F)C[C@H]21 ZINC001075776614 781477971 /nfs/dbraw/zinc/47/79/71/781477971.db2.gz XJRUPRRWEOTYAB-WMLDXEAASA-N 1 2 330.378 2.411 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](Cc3cccc(F)c3F)C[C@H]21 ZINC001075776614 781477979 /nfs/dbraw/zinc/47/79/79/781477979.db2.gz XJRUPRRWEOTYAB-WMLDXEAASA-N 1 2 330.378 2.411 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2cnns2)C[C@@H]1C ZINC000942130653 781789465 /nfs/dbraw/zinc/78/94/65/781789465.db2.gz OHBWLLUPYMASIG-DZGCQCFKSA-N 1 2 345.472 2.166 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2cnns2)C[C@@H]1C ZINC000942130653 781789469 /nfs/dbraw/zinc/78/94/69/781789469.db2.gz OHBWLLUPYMASIG-DZGCQCFKSA-N 1 2 345.472 2.166 20 30 EEEDLO C[N@@H+](Cc1ccccc1)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000170637350 790927005 /nfs/dbraw/zinc/92/70/05/790927005.db2.gz UUTIGDHIBJEKGM-HXUWFJFHSA-N 1 2 348.406 2.415 20 30 EEEDLO C[N@H+](Cc1ccccc1)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000170637350 790927011 /nfs/dbraw/zinc/92/70/11/790927011.db2.gz UUTIGDHIBJEKGM-HXUWFJFHSA-N 1 2 348.406 2.415 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@H](Nc2cccc(F)c2C#N)C1 ZINC001091471664 790932834 /nfs/dbraw/zinc/93/28/34/790932834.db2.gz LPZFPUUCMCOBIR-JOCQHMNTSA-N 1 2 341.390 2.278 20 30 EEEDLO CCCCc1noc(C[NH2+][C@@H]2CCCCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001088281302 783352050 /nfs/dbraw/zinc/35/20/50/783352050.db2.gz KOSHJDWJTBWPIY-LSDHHAIUSA-N 1 2 347.463 2.433 20 30 EEEDLO CN(C(=O)c1cnco1)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033304755 783454531 /nfs/dbraw/zinc/45/45/31/783454531.db2.gz VZTHBBRAJRRNKH-MRXNPFEDSA-N 1 2 327.359 2.012 20 30 EEEDLO CN(C(=O)c1cnco1)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033304755 783454538 /nfs/dbraw/zinc/45/45/38/783454538.db2.gz VZTHBBRAJRRNKH-MRXNPFEDSA-N 1 2 327.359 2.012 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001131945927 783508939 /nfs/dbraw/zinc/50/89/39/783508939.db2.gz DCFJXRKAYRNYJN-UKRRQHHQSA-N 1 2 337.851 2.407 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(Cl)n2)C1 ZINC001131945927 783508945 /nfs/dbraw/zinc/50/89/45/783508945.db2.gz DCFJXRKAYRNYJN-UKRRQHHQSA-N 1 2 337.851 2.407 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001131947915 783512967 /nfs/dbraw/zinc/51/29/67/783512967.db2.gz ZJTNVQZHPKMMHG-UKRRQHHQSA-N 1 2 337.851 2.407 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001131947915 783512972 /nfs/dbraw/zinc/51/29/72/783512972.db2.gz ZJTNVQZHPKMMHG-UKRRQHHQSA-N 1 2 337.851 2.407 20 30 EEEDLO C=CCCCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nsc(N(C)C)n1 ZINC001135357992 783649318 /nfs/dbraw/zinc/64/93/18/783649318.db2.gz KTTBYGIMEWWDDI-QWHCGFSZSA-N 1 2 339.509 2.333 20 30 EEEDLO C=CCCC(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001060379008 790995186 /nfs/dbraw/zinc/99/51/86/790995186.db2.gz MFPOSUOQAHCBMV-LSDHHAIUSA-N 1 2 344.459 2.151 20 30 EEEDLO C#CCC1(C(=O)NCC[NH2+]Cc2nc(-c3ccccc3)no2)CCC1 ZINC001129124983 784100452 /nfs/dbraw/zinc/10/04/52/784100452.db2.gz IVGYIWGGELLPRZ-UHFFFAOYSA-N 1 2 338.411 2.136 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)nn(C(C)(C)C)c2C)C1 ZINC001035385425 784422292 /nfs/dbraw/zinc/42/22/92/784422292.db2.gz AOQNVCOSDYHZPD-INIZCTEOSA-N 1 2 348.491 2.262 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c(C)nn(C(C)(C)C)c2C)C1 ZINC001035385425 784422297 /nfs/dbraw/zinc/42/22/97/784422297.db2.gz AOQNVCOSDYHZPD-INIZCTEOSA-N 1 2 348.491 2.262 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)c(F)ccc2Cl)C1 ZINC001035424836 784468770 /nfs/dbraw/zinc/46/87/70/784468770.db2.gz TYEZGFNKBCPNHV-LBPRGKRZSA-N 1 2 326.799 2.404 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c(C)c(F)ccc2Cl)C1 ZINC001035424836 784468775 /nfs/dbraw/zinc/46/87/75/784468775.db2.gz TYEZGFNKBCPNHV-LBPRGKRZSA-N 1 2 326.799 2.404 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC001035535612 784692005 /nfs/dbraw/zinc/69/20/05/784692005.db2.gz IYEDNQJFAUGGCL-DLBZAZTESA-N 1 2 344.455 2.118 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC001035535612 784692009 /nfs/dbraw/zinc/69/20/09/784692009.db2.gz IYEDNQJFAUGGCL-DLBZAZTESA-N 1 2 344.455 2.118 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(N3CCCC3)c2)C1 ZINC001035555412 784725846 /nfs/dbraw/zinc/72/58/46/784725846.db2.gz JEGXPWBKGYNYDC-IBGZPJMESA-N 1 2 343.471 2.294 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(N3CCCC3)c2)C1 ZINC001035555412 784725855 /nfs/dbraw/zinc/72/58/55/784725855.db2.gz JEGXPWBKGYNYDC-IBGZPJMESA-N 1 2 343.471 2.294 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(OC)c(OCC)c2)C1 ZINC001035602689 784762963 /nfs/dbraw/zinc/76/29/63/784762963.db2.gz JFSPIBBBHOOARR-INIZCTEOSA-N 1 2 348.443 2.101 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(OC)c(OCC)c2)C1 ZINC001035602689 784762968 /nfs/dbraw/zinc/76/29/68/784762968.db2.gz JFSPIBBBHOOARR-INIZCTEOSA-N 1 2 348.443 2.101 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC2(C[NH+](Cc3cccc(Cl)n3)C2)CC1 ZINC001035672967 784965314 /nfs/dbraw/zinc/96/53/14/784965314.db2.gz KQELFPWAMJGEPF-CYBMUJFWSA-N 1 2 332.835 2.319 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cnn(C)c1CC)CC2 ZINC001035739592 785052166 /nfs/dbraw/zinc/05/21/66/785052166.db2.gz ZOIOYQLKBXHPRA-UHFFFAOYSA-N 1 2 336.867 2.273 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cn3cccnc3n1)CC2 ZINC001035740783 785055365 /nfs/dbraw/zinc/05/53/65/785055365.db2.gz FTLHNLVYTLHCPT-UHFFFAOYSA-N 1 2 345.834 2.020 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)Cc1ccc(OC)cn1)CC2 ZINC001035776816 785160533 /nfs/dbraw/zinc/16/05/33/785160533.db2.gz TVJJAIFXDKEWRI-UHFFFAOYSA-N 1 2 349.862 2.310 20 30 EEEDLO Cc1cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc1OC1CCOCC1 ZINC000819448233 785549539 /nfs/dbraw/zinc/54/95/39/785549539.db2.gz UPDSFKFMYSTFSB-QGZVFWFLSA-N 1 2 347.459 2.171 20 30 EEEDLO Cc1cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc1OC1CCOCC1 ZINC000819448233 785549543 /nfs/dbraw/zinc/54/95/43/785549543.db2.gz UPDSFKFMYSTFSB-QGZVFWFLSA-N 1 2 347.459 2.171 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)OC2(CC[NH+](Cc3ccon3)CC2)C1 ZINC001111538467 785807449 /nfs/dbraw/zinc/80/74/49/785807449.db2.gz JWQMHIWEYSAYRG-HNNXBMFYSA-N 1 2 333.432 2.223 20 30 EEEDLO Cc1nc(NC/C=C\CNC(=O)C#CC(C)C)c2c([nH+]1)CCCC2 ZINC001107159989 786143459 /nfs/dbraw/zinc/14/34/59/786143459.db2.gz NBQZJCOOLQABLQ-SREVYHEPSA-N 1 2 326.444 2.408 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C3(C)CCCCC3)nn2)C1 ZINC001107201787 786350853 /nfs/dbraw/zinc/35/08/53/786350853.db2.gz BQLCMNUHCDCBKK-UHFFFAOYSA-N 1 2 331.464 2.298 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C(C3CCC3)C3CCC3)nn2)C1 ZINC001107199387 786368480 /nfs/dbraw/zinc/36/84/80/786368480.db2.gz IUANMBHHAGYGDD-UHFFFAOYSA-N 1 2 343.475 2.153 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)CCC(C)(C)C)nn2)C1 ZINC001107229923 786564565 /nfs/dbraw/zinc/56/45/65/786564565.db2.gz WNWOYRZKKQGGTG-CQSZACIVSA-N 1 2 333.480 2.399 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ccncc3Cl)C[C@H]2O)C1 ZINC001090554229 786892304 /nfs/dbraw/zinc/89/23/04/786892304.db2.gz VVISBXLXABFXMN-JKSUJKDBSA-N 1 2 349.862 2.143 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ccncc3Cl)C[C@H]2O)C1 ZINC001090554229 786892314 /nfs/dbraw/zinc/89/23/14/786892314.db2.gz VVISBXLXABFXMN-JKSUJKDBSA-N 1 2 349.862 2.143 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH]ccc32)[C@H](O)C1 ZINC001090584232 787071370 /nfs/dbraw/zinc/07/13/70/787071370.db2.gz RSWBTDLZISPGCB-HZPDHXFCSA-N 1 2 333.819 2.085 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH]ccc32)[C@H](O)C1 ZINC001090584232 787071381 /nfs/dbraw/zinc/07/13/81/787071381.db2.gz RSWBTDLZISPGCB-HZPDHXFCSA-N 1 2 333.819 2.085 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)ccc2F)[C@H](O)C1 ZINC001090595115 787175168 /nfs/dbraw/zinc/17/51/68/787175168.db2.gz NSISGRAPBRNKJU-HUUCEWRRSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)ccc2F)[C@H](O)C1 ZINC001090595115 787175173 /nfs/dbraw/zinc/17/51/73/787175173.db2.gz NSISGRAPBRNKJU-HUUCEWRRSA-N 1 2 326.799 2.052 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001062332836 787900174 /nfs/dbraw/zinc/90/01/74/787900174.db2.gz XZBKQOLRASPOND-MRXNPFEDSA-N 1 2 332.448 2.127 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(CC(C)C)c[nH]2)[C@H](O)C1 ZINC001090731404 787947851 /nfs/dbraw/zinc/94/78/51/787947851.db2.gz RMZQUTLEZCKSEQ-GOEBONIOSA-N 1 2 339.867 2.131 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(CC(C)C)c[nH]2)[C@H](O)C1 ZINC001090731404 787947855 /nfs/dbraw/zinc/94/78/55/787947855.db2.gz RMZQUTLEZCKSEQ-GOEBONIOSA-N 1 2 339.867 2.131 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001079014387 788129417 /nfs/dbraw/zinc/12/94/17/788129417.db2.gz HQOLUFXRHYBHAU-MRXNPFEDSA-N 1 2 346.475 2.456 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C)[nH+]c(CC)n2)cc1 ZINC001062553884 788216104 /nfs/dbraw/zinc/21/61/04/788216104.db2.gz UVYUWWVKIDFACO-ROUUACIJSA-N 1 2 346.434 2.432 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)s2)[C@@H](O)C1 ZINC001090782857 788237083 /nfs/dbraw/zinc/23/70/83/788237083.db2.gz IQUHNQWJBVGYSS-ZJUUUORDSA-N 1 2 335.256 2.319 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)s2)[C@@H](O)C1 ZINC001090782857 788237084 /nfs/dbraw/zinc/23/70/84/788237084.db2.gz IQUHNQWJBVGYSS-ZJUUUORDSA-N 1 2 335.256 2.319 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCCC3)[C@@H](O)C1 ZINC001090785170 788254681 /nfs/dbraw/zinc/25/46/81/788254681.db2.gz XTZDVXZYLWBFGH-ROUUACIJSA-N 1 2 348.874 2.483 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCCC3)[C@@H](O)C1 ZINC001090785170 788254682 /nfs/dbraw/zinc/25/46/82/788254682.db2.gz XTZDVXZYLWBFGH-ROUUACIJSA-N 1 2 348.874 2.483 20 30 EEEDLO Cc1cc(C)c(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)cn2)c(C)[nH+]1 ZINC001062620069 788334635 /nfs/dbraw/zinc/33/46/35/788334635.db2.gz HESNDNRNCUCLJC-IRXDYDNUSA-N 1 2 347.422 2.377 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCCCC)CC1 ZINC001109681677 805871401 /nfs/dbraw/zinc/87/14/01/805871401.db2.gz DAONNEJJDNBMJN-IKGGRYGDSA-N 1 2 347.503 2.371 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCCCC)CC1 ZINC001109681677 805871411 /nfs/dbraw/zinc/87/14/11/805871411.db2.gz DAONNEJJDNBMJN-IKGGRYGDSA-N 1 2 347.503 2.371 20 30 EEEDLO C#CCOc1ccc(C[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000824977322 788385703 /nfs/dbraw/zinc/38/57/03/788385703.db2.gz KBZGBSQLGPVJND-GOSISDBHSA-N 1 2 333.453 2.099 20 30 EEEDLO C#CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000824977322 788385712 /nfs/dbraw/zinc/38/57/12/788385712.db2.gz KBZGBSQLGPVJND-GOSISDBHSA-N 1 2 333.453 2.099 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C3CC3)cc2)[C@@H](O)C1 ZINC001090828668 788484105 /nfs/dbraw/zinc/48/41/05/788484105.db2.gz RJHQEVQTBBGGIM-SJORKVTESA-N 1 2 334.847 2.482 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C3CC3)cc2)[C@@H](O)C1 ZINC001090828668 788484110 /nfs/dbraw/zinc/48/41/10/788484110.db2.gz RJHQEVQTBBGGIM-SJORKVTESA-N 1 2 334.847 2.482 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2nccc3ccccc32)C1 ZINC001108167302 788498496 /nfs/dbraw/zinc/49/84/96/788498496.db2.gz LGZREMVBJVFWBB-LJQANCHMSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2nccc3ccccc32)C1 ZINC001108167302 788498502 /nfs/dbraw/zinc/49/85/02/788498502.db2.gz LGZREMVBJVFWBB-LJQANCHMSA-N 1 2 325.412 2.242 20 30 EEEDLO Cc1cc(F)ccc1C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)C#N)C1 ZINC001107821596 788578902 /nfs/dbraw/zinc/57/89/02/788578902.db2.gz RJBKJBRFSNUQBR-KDOFPFPSSA-N 1 2 333.407 2.001 20 30 EEEDLO Cc1cc(F)ccc1C[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)C#N)C1 ZINC001107821596 788578912 /nfs/dbraw/zinc/57/89/12/788578912.db2.gz RJBKJBRFSNUQBR-KDOFPFPSSA-N 1 2 333.407 2.001 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060787222 788630624 /nfs/dbraw/zinc/63/06/24/788630624.db2.gz FCIHCSHCKFYRDD-JYJNAYRXSA-N 1 2 346.475 2.346 20 30 EEEDLO C=CCCCC(=O)NC[C@]1(C)C[N@H+](Cc2ncccc2C)CCO1 ZINC001108169809 788682413 /nfs/dbraw/zinc/68/24/13/788682413.db2.gz XOOCMUJQIZNTBI-LJQANCHMSA-N 1 2 331.460 2.453 20 30 EEEDLO C=CCCCC(=O)NC[C@]1(C)C[N@@H+](Cc2ncccc2C)CCO1 ZINC001108169809 788682420 /nfs/dbraw/zinc/68/24/20/788682420.db2.gz XOOCMUJQIZNTBI-LJQANCHMSA-N 1 2 331.460 2.453 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1OC ZINC001090869924 788715774 /nfs/dbraw/zinc/71/57/74/788715774.db2.gz GIDFWQALCZIELY-HUUCEWRRSA-N 1 2 332.448 2.194 20 30 EEEDLO C[C@@H](C(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1)C1CC1 ZINC001107845910 788737280 /nfs/dbraw/zinc/73/72/80/788737280.db2.gz MPMPNCPJPXIYGD-QRWLVFNGSA-N 1 2 341.455 2.311 20 30 EEEDLO C[C@@H](C(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1)C1CC1 ZINC001107845910 788737284 /nfs/dbraw/zinc/73/72/84/788737284.db2.gz MPMPNCPJPXIYGD-QRWLVFNGSA-N 1 2 341.455 2.311 20 30 EEEDLO Cc1cnccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032391855 789013815 /nfs/dbraw/zinc/01/38/15/789013815.db2.gz BXDADJOHBVOOER-ROUUACIJSA-N 1 2 332.407 2.361 20 30 EEEDLO Cc1cnccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032391855 789013826 /nfs/dbraw/zinc/01/38/26/789013826.db2.gz BXDADJOHBVOOER-ROUUACIJSA-N 1 2 332.407 2.361 20 30 EEEDLO COc1cccc([C@H](C#N)NC(=O)C[C@@H](C)n2cc[nH+]c2)c1OC ZINC000844460801 789135347 /nfs/dbraw/zinc/13/53/47/789135347.db2.gz AZVPXHUOUCSRHD-OCCSQVGLSA-N 1 2 328.372 2.232 20 30 EEEDLO C=CCc1cc(OC)cc(C[NH+]2CCN(CC(C)(C)O)CC2)c1O ZINC000164368764 789151925 /nfs/dbraw/zinc/15/19/25/789151925.db2.gz RZWXROFIVQDXNT-UHFFFAOYSA-N 1 2 334.460 2.018 20 30 EEEDLO C#CCCCC(=O)NC[C@]1(C)C[N@H+](CCc2ccccc2F)CCO1 ZINC001107902152 789198375 /nfs/dbraw/zinc/19/83/75/789198375.db2.gz FRBNNTOBYDGKSX-HXUWFJFHSA-N 1 2 346.446 2.379 20 30 EEEDLO C#CCCCC(=O)NC[C@]1(C)C[N@@H+](CCc2ccccc2F)CCO1 ZINC001107902152 789198379 /nfs/dbraw/zinc/19/83/79/789198379.db2.gz FRBNNTOBYDGKSX-HXUWFJFHSA-N 1 2 346.446 2.379 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001060265157 789228787 /nfs/dbraw/zinc/22/87/87/789228787.db2.gz ITJQSMQIHGARSB-KRWDZBQOSA-N 1 2 346.475 2.374 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCC(OC2C[NH+](CCOCC)C2)CC1 ZINC001105720905 789243003 /nfs/dbraw/zinc/24/30/03/789243003.db2.gz HVORTTLRZNWVLD-MRXNPFEDSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCOc3ccccc3)CC2)C1 ZINC001105733523 789303957 /nfs/dbraw/zinc/30/39/57/789303957.db2.gz FMLQEGCICBFRPX-UHFFFAOYSA-N 1 2 344.455 2.333 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1 ZINC001109769517 805954059 /nfs/dbraw/zinc/95/40/59/805954059.db2.gz GZDYPNCFCUXWCA-IKGGRYGDSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1 ZINC001109769517 805954066 /nfs/dbraw/zinc/95/40/66/805954066.db2.gz GZDYPNCFCUXWCA-IKGGRYGDSA-N 1 2 347.503 2.227 20 30 EEEDLO Cc1cc(C)c(C(=O)NCC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)c(C)[nH+]1 ZINC001060286838 789625343 /nfs/dbraw/zinc/62/53/43/789625343.db2.gz UAGSFGFEWFXIBQ-XJKSGUPXSA-N 1 2 342.443 2.135 20 30 EEEDLO C=CCOCC(=O)N[C@H](CNc1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC001109792081 805995717 /nfs/dbraw/zinc/99/57/17/805995717.db2.gz OKYSEAWPCLSLAG-QGZVFWFLSA-N 1 2 344.459 2.173 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2[nH]c(C)c(C(C)=O)c2CCC)C1 ZINC000923583512 789819716 /nfs/dbraw/zinc/81/97/16/789819716.db2.gz CXHBKRZONTXIBP-OAHLLOKOSA-N 1 2 329.444 2.306 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]c(C)c(C(C)=O)c2CCC)C1 ZINC000923583512 789819721 /nfs/dbraw/zinc/81/97/21/789819721.db2.gz CXHBKRZONTXIBP-OAHLLOKOSA-N 1 2 329.444 2.306 20 30 EEEDLO C#Cc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)cc1 ZINC001144569725 789949128 /nfs/dbraw/zinc/94/91/28/789949128.db2.gz YFUTZJMIOPLWSY-KRWDZBQOSA-N 1 2 330.428 2.082 20 30 EEEDLO C#Cc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)cc1 ZINC001144569725 789949132 /nfs/dbraw/zinc/94/91/32/789949132.db2.gz YFUTZJMIOPLWSY-KRWDZBQOSA-N 1 2 330.428 2.082 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC1(CNC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001062882788 789979080 /nfs/dbraw/zinc/97/90/80/789979080.db2.gz DLDHARNZILKPKU-CQSZACIVSA-N 1 2 332.448 2.100 20 30 EEEDLO C#CC[NH+]1CCN(Cc2c[nH]c3cc(Br)cnc23)CC1 ZINC001144704211 790046830 /nfs/dbraw/zinc/04/68/30/790046830.db2.gz ZQTIEPKRLQQDBB-UHFFFAOYSA-N 1 2 333.233 2.076 20 30 EEEDLO CC(C)C[C@H](C(=O)N[C@H](C)CNc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001107978697 791768185 /nfs/dbraw/zinc/76/81/85/791768185.db2.gz KHVPYXQOPKZKFS-GDBMZVCRSA-N 1 2 340.431 2.354 20 30 EEEDLO C=CCOCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1csc(C)n1)C2 ZINC001147298860 791773135 /nfs/dbraw/zinc/77/31/35/791773135.db2.gz XZOWBXZEGDFFBR-UHFFFAOYSA-N 1 2 349.500 2.469 20 30 EEEDLO C=CCOCCCC(=O)N1CC2(C1)CC[N@H+](Cc1csc(C)n1)C2 ZINC001147298860 791773138 /nfs/dbraw/zinc/77/31/38/791773138.db2.gz XZOWBXZEGDFFBR-UHFFFAOYSA-N 1 2 349.500 2.469 20 30 EEEDLO N#Cc1ccc(NCC[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)nc1 ZINC001063836563 791811585 /nfs/dbraw/zinc/81/15/85/791811585.db2.gz WIMJOJSJCISBPB-INIZCTEOSA-N 1 2 338.415 2.033 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC1(CNC(=O)CCc2[nH+]ccn2C)CCC1 ZINC001063969723 792031973 /nfs/dbraw/zinc/03/19/73/792031973.db2.gz MBRJYMIEXGVPKC-OAHLLOKOSA-N 1 2 346.475 2.110 20 30 EEEDLO CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000998197179 792190766 /nfs/dbraw/zinc/19/07/66/792190766.db2.gz PILGPVKNLOFUGX-INIZCTEOSA-N 1 2 339.443 2.298 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000998197179 792190772 /nfs/dbraw/zinc/19/07/72/792190772.db2.gz PILGPVKNLOFUGX-INIZCTEOSA-N 1 2 339.443 2.298 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H](C)C[C@H]1CNc1cc[nH+]c(C)n1 ZINC001091684064 792220896 /nfs/dbraw/zinc/22/08/96/792220896.db2.gz UWQTYXUTOAWKNC-XUWXXGDYSA-N 1 2 332.448 2.151 20 30 EEEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@@H+]([C@@H](C)c2nncn2C)C3)CC1 ZINC001148262997 792291370 /nfs/dbraw/zinc/29/13/70/792291370.db2.gz SPSUXKZHDWTDJN-HNNXBMFYSA-N 1 2 343.475 2.157 20 30 EEEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@H+]([C@@H](C)c2nncn2C)C3)CC1 ZINC001148262997 792291378 /nfs/dbraw/zinc/29/13/78/792291378.db2.gz SPSUXKZHDWTDJN-HNNXBMFYSA-N 1 2 343.475 2.157 20 30 EEEDLO CC#CCCCC(=O)NCC1(NC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001064077359 792298922 /nfs/dbraw/zinc/29/89/22/792298922.db2.gz QDLCCWZUVVXCCM-UHFFFAOYSA-N 1 2 344.459 2.012 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H](C)C(=O)N2CCCCC2)C1 ZINC001032614224 792352874 /nfs/dbraw/zinc/35/28/74/792352874.db2.gz KMJRDVQZWOFCLB-ULQDDVLXSA-N 1 2 345.487 2.029 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H](C)C(=O)N2CCCCC2)C1 ZINC001032614224 792352884 /nfs/dbraw/zinc/35/28/84/792352884.db2.gz KMJRDVQZWOFCLB-ULQDDVLXSA-N 1 2 345.487 2.029 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C\Cl)C2 ZINC001148881472 792788099 /nfs/dbraw/zinc/78/80/99/792788099.db2.gz SDQZVNJRPRLPLM-ALFJJAPYSA-N 1 2 333.259 2.431 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001148881472 792788103 /nfs/dbraw/zinc/78/81/03/792788103.db2.gz SDQZVNJRPRLPLM-ALFJJAPYSA-N 1 2 333.259 2.431 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C1CC([NH2+][C@H](C)c2noc(C)n2)C1 ZINC000998902390 793552344 /nfs/dbraw/zinc/55/23/44/793552344.db2.gz UYFRRMLIEZCNDK-LRVUVFPRSA-N 1 2 343.431 2.319 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3cc(C)cn3c2)[C@@H](O)C1 ZINC001090317171 793805423 /nfs/dbraw/zinc/80/54/23/793805423.db2.gz WUELLFVAZRDIRQ-SJORKVTESA-N 1 2 347.846 2.165 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3cc(C)cn3c2)[C@@H](O)C1 ZINC001090317171 793805431 /nfs/dbraw/zinc/80/54/31/793805431.db2.gz WUELLFVAZRDIRQ-SJORKVTESA-N 1 2 347.846 2.165 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(F)c1)c1nccn12 ZINC001092346910 793817954 /nfs/dbraw/zinc/81/79/54/793817954.db2.gz ZKQWJADLZBRPEB-HNNXBMFYSA-N 1 2 326.375 2.094 20 30 EEEDLO CC(C)CCc1noc(C[NH2+][C@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC000999117414 793830821 /nfs/dbraw/zinc/83/08/21/793830821.db2.gz MSPGMFHGTSPEKK-INIZCTEOSA-N 1 2 344.459 2.152 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CC=CCC1)c1nccn12 ZINC001092387541 793882573 /nfs/dbraw/zinc/88/25/73/793882573.db2.gz YMQGIIHNHGCZLA-SJORKVTESA-N 1 2 338.455 2.225 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C1(C)CC(F)(F)C1)c1nccn12 ZINC001092407744 793955912 /nfs/dbraw/zinc/95/59/12/793955912.db2.gz RTHULBKZDRVOAE-LBPRGKRZSA-N 1 2 336.386 2.076 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001092616559 794186563 /nfs/dbraw/zinc/18/65/63/794186563.db2.gz CUSJIXOXOUVZQA-DDUZABMNSA-N 1 2 332.448 2.009 20 30 EEEDLO Cc1nc(N2CC[C@]3(C2)CCCCN(C(=O)[C@@H](C)C#N)C3)cc[nH+]1 ZINC001065178964 794320694 /nfs/dbraw/zinc/32/06/94/794320694.db2.gz NFZYOXTYPVRCOI-KSSFIOAISA-N 1 2 327.432 2.154 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCOCC2)C1 ZINC001079639575 795066085 /nfs/dbraw/zinc/06/60/85/795066085.db2.gz LTPRUWVZXWKOGY-KWCYVHTRSA-N 1 2 345.281 2.148 20 30 EEEDLO 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800996677 /nfs/dbraw/zinc/99/66/77/800996677.db2.gz RFBASRMAOXHMSN-LLVKDONJSA-N 1 2 332.454 2.423 20 30 EEEDLO C=CCOc1ccc(CNC(=O)N[C@H](CC)C[NH+]2CCOCC2)cc1 ZINC000922417023 801028465 /nfs/dbraw/zinc/02/84/65/801028465.db2.gz GMGWFSWXUGAWQW-QGZVFWFLSA-N 1 2 347.459 2.161 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001033043921 801102290 /nfs/dbraw/zinc/10/22/90/801102290.db2.gz RONPQQVHFWXKDB-DCAQKATOSA-N 1 2 337.208 2.329 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001033043921 801102294 /nfs/dbraw/zinc/10/22/94/801102294.db2.gz RONPQQVHFWXKDB-DCAQKATOSA-N 1 2 337.208 2.329 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CN(C)C(=O)[C@@H]2C[C@H]2C)cc1C#N ZINC001085765735 801222288 /nfs/dbraw/zinc/22/22/88/801222288.db2.gz LKMIIJPVSDODGQ-XOKHGSTOSA-N 1 2 327.428 2.256 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CN(C)C(=O)[C@@H]2C[C@H]2C)cc1C#N ZINC001085765735 801222290 /nfs/dbraw/zinc/22/22/90/801222290.db2.gz LKMIIJPVSDODGQ-XOKHGSTOSA-N 1 2 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C=CCC(C)(C)C(=O)N1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001066336016 801554281 /nfs/dbraw/zinc/55/42/81/801554281.db2.gz BRFXZFXQOHOFLV-HNNXBMFYSA-N 1 2 346.475 2.062 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001066347981 801748089 /nfs/dbraw/zinc/74/80/89/801748089.db2.gz LZFRIORARSCTBD-VQIMIIECSA-N 1 2 346.475 2.373 20 30 EEEDLO CN(CC1(C)COC1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183832446 801762214 /nfs/dbraw/zinc/76/22/14/801762214.db2.gz VKARGORORGHCRU-GOSISDBHSA-N 1 2 341.455 2.408 20 30 EEEDLO CN(CC1(C)COC1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183832446 801762221 /nfs/dbraw/zinc/76/22/21/801762221.db2.gz VKARGORORGHCRU-GOSISDBHSA-N 1 2 341.455 2.408 20 30 EEEDLO N#Cc1cnc(NC(=O)CCc2ccc(N)[nH+]c2)c(Br)c1 ZINC001183929907 801813134 /nfs/dbraw/zinc/81/31/34/801813134.db2.gz VKDAVBOFEBYWKR-UHFFFAOYSA-N 1 2 346.188 2.264 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001066368601 802026544 /nfs/dbraw/zinc/02/65/44/802026544.db2.gz FMBRZTMXIQMQHL-CQSZACIVSA-N 1 2 332.448 2.052 20 30 EEEDLO CCCn1nccc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004447031 802067193 /nfs/dbraw/zinc/06/71/93/802067193.db2.gz OEVXEMHOHOERLX-INIZCTEOSA-N 1 2 329.448 2.133 20 30 EEEDLO CCCn1nccc1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004447031 802067197 /nfs/dbraw/zinc/06/71/97/802067197.db2.gz OEVXEMHOHOERLX-INIZCTEOSA-N 1 2 329.448 2.133 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC001086104811 802182330 /nfs/dbraw/zinc/18/23/30/802182330.db2.gz QIGCJNZFWNYWBP-BETUJISGSA-N 1 2 345.834 2.322 20 30 EEEDLO COCc1ccc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)o1 ZINC001004486294 802189305 /nfs/dbraw/zinc/18/93/05/802189305.db2.gz UWXIBKILHABLRN-INIZCTEOSA-N 1 2 331.416 2.266 20 30 EEEDLO COCc1ccc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)o1 ZINC001004486294 802189307 /nfs/dbraw/zinc/18/93/07/802189307.db2.gz UWXIBKILHABLRN-INIZCTEOSA-N 1 2 331.416 2.266 20 30 EEEDLO CCO[C@@H](CC)C(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001112665678 806968675 /nfs/dbraw/zinc/96/86/75/806968675.db2.gz AAJBMCXRKJEQND-SFHVURJKSA-N 1 2 345.443 2.048 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnc3ccccc3c2)C1 ZINC001108245439 802338464 /nfs/dbraw/zinc/33/84/64/802338464.db2.gz UOHFHPHECDGRKB-HXUWFJFHSA-N 1 2 337.423 2.079 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnc3ccccc3c2)C1 ZINC001108245439 802338471 /nfs/dbraw/zinc/33/84/71/802338471.db2.gz UOHFHPHECDGRKB-HXUWFJFHSA-N 1 2 337.423 2.079 20 30 EEEDLO CC(C)c1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)[nH]n1 ZINC001004553018 802376057 /nfs/dbraw/zinc/37/60/57/802376057.db2.gz PWKRSCPUGIXAQP-KRWDZBQOSA-N 1 2 329.448 2.373 20 30 EEEDLO CC(C)c1cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)[nH]n1 ZINC001004553018 802376064 /nfs/dbraw/zinc/37/60/64/802376064.db2.gz PWKRSCPUGIXAQP-KRWDZBQOSA-N 1 2 329.448 2.373 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001066432292 802404034 /nfs/dbraw/zinc/40/40/34/802404034.db2.gz URAXUWQONFGGNS-HOTGVXAUSA-N 1 2 346.475 2.360 20 30 EEEDLO C[C@@H](CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)n1cccn1 ZINC001004600607 802459718 /nfs/dbraw/zinc/45/97/18/802459718.db2.gz FMVCTSRHYVDUHN-DOTOQJQBSA-N 1 2 329.448 2.061 20 30 EEEDLO C[C@@H](CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)n1cccn1 ZINC001004600607 802459720 /nfs/dbraw/zinc/45/97/20/802459720.db2.gz FMVCTSRHYVDUHN-DOTOQJQBSA-N 1 2 329.448 2.061 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001066443981 802503515 /nfs/dbraw/zinc/50/35/15/802503515.db2.gz SSDDDPFSSZUIKS-CABCVRRESA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001066465405 802635915 /nfs/dbraw/zinc/63/59/15/802635915.db2.gz OYIKZHDZMKLRRD-HNNXBMFYSA-N 1 2 332.448 2.196 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001066465405 802635920 /nfs/dbraw/zinc/63/59/20/802635920.db2.gz OYIKZHDZMKLRRD-HNNXBMFYSA-N 1 2 332.448 2.196 20 30 EEEDLO CCCc1nc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C#CC2CC2)no1 ZINC001004854581 803086053 /nfs/dbraw/zinc/08/60/53/803086053.db2.gz PMMPSZYXIHUPCI-HOCLYGCPSA-N 1 2 344.459 2.295 20 30 EEEDLO CCCc1nc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C#CC2CC2)no1 ZINC001004854576 803086199 /nfs/dbraw/zinc/08/61/99/803086199.db2.gz PMMPSZYXIHUPCI-GOEBONIOSA-N 1 2 344.459 2.295 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001066561170 803204959 /nfs/dbraw/zinc/20/49/59/803204959.db2.gz GHJCGZAEAMQLGG-MRXNPFEDSA-N 1 2 344.459 2.218 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccc(F)c2OCC)C1 ZINC001108304723 803264773 /nfs/dbraw/zinc/26/47/73/803264773.db2.gz LMLKQCFQVDNMTR-GOSISDBHSA-N 1 2 336.407 2.231 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccc(F)c2OCC)C1 ZINC001108304723 803264777 /nfs/dbraw/zinc/26/47/77/803264777.db2.gz LMLKQCFQVDNMTR-GOSISDBHSA-N 1 2 336.407 2.231 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC001108332146 803305165 /nfs/dbraw/zinc/30/51/65/803305165.db2.gz WYLTWXRLKKIIFS-KSSFIOAISA-N 1 2 334.464 2.169 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC001108332146 803305172 /nfs/dbraw/zinc/30/51/72/803305172.db2.gz WYLTWXRLKKIIFS-KSSFIOAISA-N 1 2 334.464 2.169 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2ccccc2Cl)C1 ZINC001108382274 803423748 /nfs/dbraw/zinc/42/37/48/803423748.db2.gz MKBGGCUEJIZHKT-GOSISDBHSA-N 1 2 334.847 2.113 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2ccccc2Cl)C1 ZINC001108382274 803423752 /nfs/dbraw/zinc/42/37/52/803423752.db2.gz MKBGGCUEJIZHKT-GOSISDBHSA-N 1 2 334.847 2.113 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001108429471 803543241 /nfs/dbraw/zinc/54/32/41/803543241.db2.gz INPHGTPNEFUPKI-QFBILLFUSA-N 1 2 346.858 2.210 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001108429471 803543244 /nfs/dbraw/zinc/54/32/44/803543244.db2.gz INPHGTPNEFUPKI-QFBILLFUSA-N 1 2 346.858 2.210 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@H](C)CC(C)(C)C)CC2=O)C1 ZINC001108576788 804158825 /nfs/dbraw/zinc/15/88/25/804158825.db2.gz ZHXVPNVORFEYIK-CABCVRRESA-N 1 2 335.492 2.036 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H](CCCC)C(C)C)CC2=O)C1 ZINC001108591740 804263606 /nfs/dbraw/zinc/26/36/06/804263606.db2.gz DDXICPPIJQVOEJ-DOTOQJQBSA-N 1 2 335.492 2.036 20 30 EEEDLO CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001108963023 804738429 /nfs/dbraw/zinc/73/84/29/804738429.db2.gz CZSQDZUULLRZIX-FXBSTXGRSA-N 1 2 345.418 2.344 20 30 EEEDLO CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001108963023 804738435 /nfs/dbraw/zinc/73/84/35/804738435.db2.gz CZSQDZUULLRZIX-FXBSTXGRSA-N 1 2 345.418 2.344 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CCCCC)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129375525 804747755 /nfs/dbraw/zinc/74/77/55/804747755.db2.gz BXOBHGRZHFCJEV-KSZLIROESA-N 1 2 345.491 2.105 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CCCCC)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129375525 804747761 /nfs/dbraw/zinc/74/77/61/804747761.db2.gz BXOBHGRZHFCJEV-KSZLIROESA-N 1 2 345.491 2.105 20 30 EEEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(C(C)C)oc1C)C2 ZINC001109277613 805249643 /nfs/dbraw/zinc/24/96/43/805249643.db2.gz GJWIZCWHHYGCDJ-PMPSAXMXSA-N 1 2 345.443 2.091 20 30 EEEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(C(C)C)oc1C)C2 ZINC001109277613 805249652 /nfs/dbraw/zinc/24/96/52/805249652.db2.gz GJWIZCWHHYGCDJ-PMPSAXMXSA-N 1 2 345.443 2.091 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)n1)OCC ZINC001109357374 805345278 /nfs/dbraw/zinc/34/52/78/805345278.db2.gz DNLPIGQVQMNHII-VSZNYVQBSA-N 1 2 346.475 2.013 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(C)n1)OCC ZINC001109357374 805345285 /nfs/dbraw/zinc/34/52/85/805345285.db2.gz DNLPIGQVQMNHII-VSZNYVQBSA-N 1 2 346.475 2.013 20 30 EEEDLO C=CCCC(=O)N1CC[NH+](CCOCCOc2ccccc2)CC1 ZINC001112690534 807034747 /nfs/dbraw/zinc/03/47/47/807034747.db2.gz JBOZSLRYCMBUSJ-UHFFFAOYSA-N 1 2 332.444 2.192 20 30 EEEDLO COC(=O)[C@@H]1CC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)[C@H]1C ZINC000787323676 807088023 /nfs/dbraw/zinc/08/80/23/807088023.db2.gz GHGLYIDJLHIDGG-GOEBONIOSA-N 1 2 338.411 2.436 20 30 EEEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)[C@H]1C ZINC000787323676 807088029 /nfs/dbraw/zinc/08/80/29/807088029.db2.gz GHGLYIDJLHIDGG-GOEBONIOSA-N 1 2 338.411 2.436 20 30 EEEDLO C=CCOCC(=O)N1CCC[C@@H]1CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001112790728 807271798 /nfs/dbraw/zinc/27/17/98/807271798.db2.gz NWOJWNXFETUUJV-MRXNPFEDSA-N 1 2 344.459 2.292 20 30 EEEDLO CCc1ccc([C@H](O)C[NH+]2CCN(C(=O)C#CC(C)C)CC2)cc1 ZINC001112833389 807358487 /nfs/dbraw/zinc/35/84/87/807358487.db2.gz WBRWNKWQVCHNSS-LJQANCHMSA-N 1 2 328.456 2.086 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccnn2C(CC)CC)CC1 ZINC001112963875 807713740 /nfs/dbraw/zinc/71/37/40/807713740.db2.gz CMBOFEBMZYKTNI-UHFFFAOYSA-N 1 2 334.464 2.205 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000789587438 808073434 /nfs/dbraw/zinc/07/34/34/808073434.db2.gz GGFKFVGOUMJMRX-UHFFFAOYSA-N 1 2 346.299 2.349 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2sccc2-n2cccc2)CC1 ZINC001113174700 808335667 /nfs/dbraw/zinc/33/56/67/808335667.db2.gz YTTZKXHBETZREF-UHFFFAOYSA-N 1 2 345.468 2.499 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnccc2C(F)(F)F)CC1 ZINC001113383569 808869551 /nfs/dbraw/zinc/86/95/51/808869551.db2.gz GALHHWSNDVAOKE-UHFFFAOYSA-N 1 2 343.349 2.061 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ncoc2-c2cccs2)CC1 ZINC001113438945 808974986 /nfs/dbraw/zinc/97/49/86/808974986.db2.gz QHXQECPGIOAGTM-UHFFFAOYSA-N 1 2 347.440 2.364 20 30 EEEDLO Cc1cc(N(C)[C@H](C)CNC(=O)CSCC#N)nc(C(C)C)[nH+]1 ZINC001113496373 809082356 /nfs/dbraw/zinc/08/23/56/809082356.db2.gz LSUIYWRJWPYPIN-CYBMUJFWSA-N 1 2 335.477 2.106 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](Cc2ccc(COC)cc2)CC1 ZINC001113710889 809614848 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326.360 2.333 20 30 EEEDLO C[C@@H]1C[NH+](CCC(=O)Nc2sccc2C#N)C[C@@H](C)S1=O ZINC000330103592 267048731 /nfs/dbraw/zinc/04/87/31/267048731.db2.gz HAIZFBFOCOMHAI-GHMZBOCLSA-N 1 2 325.459 2.439 20 30 EEEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1occc1C ZINC000412024661 267066932 /nfs/dbraw/zinc/06/69/32/267066932.db2.gz GKSBCZRWCDYKTD-UHFFFAOYSA-N 1 2 333.413 2.151 20 30 EEEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1occc1C ZINC000412024661 267066938 /nfs/dbraw/zinc/06/69/38/267066938.db2.gz GKSBCZRWCDYKTD-UHFFFAOYSA-N 1 2 333.413 2.151 20 30 EEEDLO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000496509547 267316200 /nfs/dbraw/zinc/31/62/00/267316200.db2.gz ZTONTYCFAQTRRQ-OAHLLOKOSA-N 1 2 337.395 2.015 20 30 EEEDLO C[N@H+](Cc1ccc(F)cc1C#N)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000496509547 267316202 /nfs/dbraw/zinc/31/62/02/267316202.db2.gz ZTONTYCFAQTRRQ-OAHLLOKOSA-N 1 2 337.395 2.015 20 30 EEEDLO N#Cc1ccc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000530670604 268198724 /nfs/dbraw/zinc/19/87/24/268198724.db2.gz OQEPHIBFCRPCEF-UHFFFAOYSA-N 1 2 340.452 2.172 20 30 EEEDLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)CC1(CC#N)CC1 ZINC000451585903 277001153 /nfs/dbraw/zinc/00/11/53/277001153.db2.gz XDRUYMPVHMXWKR-OAHLLOKOSA-N 1 2 344.440 2.455 20 30 EEEDLO CC(C)(C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cc(F)cc(C#N)c1 ZINC000552160842 318501071 /nfs/dbraw/zinc/50/10/71/318501071.db2.gz DXCDJNFIQCVHPA-HNNXBMFYSA-N 1 2 326.375 2.303 20 30 EEEDLO CC(C)N1CC[NH+]([C@H]2CCN(c3ccc(C#N)c([N+](=O)[O-])c3)C2)CC1 ZINC000575963284 320128366 /nfs/dbraw/zinc/12/83/66/320128366.db2.gz OFTYMKRYNDDUPI-KRWDZBQOSA-N 1 2 343.431 2.071 20 30 EEEDLO C[C@H]1C[N@H+](CCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000525193386 447976604 /nfs/dbraw/zinc/97/66/04/447976604.db2.gz VXRNNLZCYRTCQV-LBPRGKRZSA-N 1 2 341.371 2.147 20 30 EEEDLO C[C@H]1C[N@@H+](CCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000525193386 447976608 /nfs/dbraw/zinc/97/66/08/447976608.db2.gz VXRNNLZCYRTCQV-LBPRGKRZSA-N 1 2 341.371 2.147 20 30 EEEDLO C=CC[N@@H+](CC(=O)N[C@H](C(=O)OC)C(C)C)Cc1ccccc1F ZINC000351440945 465156099 /nfs/dbraw/zinc/15/60/99/465156099.db2.gz JBVOWFZZFNWTMK-KRWDZBQOSA-N 1 2 336.407 2.128 20 30 EEEDLO C=CC[N@H+](CC(=O)N[C@H](C(=O)OC)C(C)C)Cc1ccccc1F ZINC000351440945 465156100 /nfs/dbraw/zinc/15/61/00/465156100.db2.gz JBVOWFZZFNWTMK-KRWDZBQOSA-N 1 2 336.407 2.128 20 30 EEEDLO C[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCC1=O ZINC000328919526 465168613 /nfs/dbraw/zinc/16/86/13/465168613.db2.gz LLZOFIKIGIJHLN-UKRRQHHQSA-N 1 2 331.416 2.380 20 30 EEEDLO CC[C@H](C)n1ncc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1C1CC1 ZINC000328953678 465180662 /nfs/dbraw/zinc/18/06/62/465180662.db2.gz YBPOXEYQQQPBTJ-APHBMKBZSA-N 1 2 347.463 2.292 20 30 EEEDLO CC[C@H](C)n1ncc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1C1CC1 ZINC000328953678 465180668 /nfs/dbraw/zinc/18/06/68/465180668.db2.gz YBPOXEYQQQPBTJ-APHBMKBZSA-N 1 2 347.463 2.292 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)c2cscn2)CCC(=O)N1C1CC1 ZINC000329022514 465205607 /nfs/dbraw/zinc/20/56/07/465205607.db2.gz MNLPKGVRIKBNJA-IAQYHMDHSA-N 1 2 345.428 2.076 20 30 EEEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3cccc(Cl)c3)CC2)C1=O ZINC000337144370 465213233 /nfs/dbraw/zinc/21/32/33/465213233.db2.gz ZYSFDPFKUDJMCV-QGZVFWFLSA-N 1 2 333.863 2.245 20 30 EEEDLO C=CCN1CC[C@@H](N2CC[NH+](Cc3cccc(Cl)c3)CC2)C1=O ZINC000337144370 465213240 /nfs/dbraw/zinc/21/32/40/465213240.db2.gz ZYSFDPFKUDJMCV-QGZVFWFLSA-N 1 2 333.863 2.245 20 30 EEEDLO Cn1c2ccc(CNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2[nH+]c1C1CC1 ZINC000329101407 465234126 /nfs/dbraw/zinc/23/41/26/465234126.db2.gz ZRNBKQPBHYRFHB-CYBMUJFWSA-N 1 2 347.440 2.342 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)C1=O ZINC000337222383 465251323 /nfs/dbraw/zinc/25/13/23/465251323.db2.gz LXGZZUILSNAIJK-BQFCYCMXSA-N 1 2 343.471 2.014 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)C1=O ZINC000337222383 465251330 /nfs/dbraw/zinc/25/13/30/465251330.db2.gz LXGZZUILSNAIJK-BQFCYCMXSA-N 1 2 343.471 2.014 20 30 EEEDLO CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329185886 465261076 /nfs/dbraw/zinc/26/10/76/465261076.db2.gz QKCVMJBKORFQMR-ZWNOBZJWSA-N 1 2 336.461 2.171 20 30 EEEDLO CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329185886 465261083 /nfs/dbraw/zinc/26/10/83/465261083.db2.gz QKCVMJBKORFQMR-ZWNOBZJWSA-N 1 2 336.461 2.171 20 30 EEEDLO COCc1cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)no1 ZINC000297655193 465265989 /nfs/dbraw/zinc/26/59/89/465265989.db2.gz JFJYIYGNNCGBBR-UHFFFAOYSA-N 1 2 326.400 2.405 20 30 EEEDLO COCc1cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)no1 ZINC000297655193 465265998 /nfs/dbraw/zinc/26/59/98/465265998.db2.gz JFJYIYGNNCGBBR-UHFFFAOYSA-N 1 2 326.400 2.405 20 30 EEEDLO O=C(Nc1nnc(C2CCOCC2)s1)[C@H]1CCn2cc[nH+]c2C1 ZINC000329326498 465300525 /nfs/dbraw/zinc/30/05/25/465300525.db2.gz WQWZLCREWODSTG-NSHDSACASA-N 1 2 333.417 2.479 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+]C1(c2noc(C)n2)CCCCC1 ZINC000342322804 465309906 /nfs/dbraw/zinc/30/99/06/465309906.db2.gz SUZUYXBQGGLJBU-CYBMUJFWSA-N 1 2 333.436 2.135 20 30 EEEDLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000329652347 465398690 /nfs/dbraw/zinc/39/86/90/465398690.db2.gz DHFXYDDZICMIMB-DYVFJYSZSA-N 1 2 346.431 2.287 20 30 EEEDLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000329652347 465398696 /nfs/dbraw/zinc/39/86/96/465398696.db2.gz DHFXYDDZICMIMB-DYVFJYSZSA-N 1 2 346.431 2.287 20 30 EEEDLO N#Cc1cc(F)ccc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000089228628 462655394 /nfs/dbraw/zinc/65/53/94/462655394.db2.gz DDYLIXSUJGKMPB-HNNXBMFYSA-N 1 2 332.379 2.026 20 30 EEEDLO C#CCNC(=O)C1CC[NH+](Cc2csc([C@@H](C)OCC)n2)CC1 ZINC000491154551 468310131 /nfs/dbraw/zinc/31/01/31/468310131.db2.gz JYAQJYXPWMPTQC-CYBMUJFWSA-N 1 2 335.473 2.202 20 30 EEEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CSCC#N)C[C@@H](C)O1 ZINC000046343295 462671569 /nfs/dbraw/zinc/67/15/69/462671569.db2.gz JHMZRRSNFQTYRG-ZIAGYGMSSA-N 1 2 333.457 2.491 20 30 EEEDLO CCOc1cc(CN(CCC#N)CC[NH+]2CCOCC2)ccc1OC ZINC000154774311 462807409 /nfs/dbraw/zinc/80/74/09/462807409.db2.gz XCZXCYCJQPHJCK-UHFFFAOYSA-N 1 2 347.459 2.142 20 30 EEEDLO CCNc1ccc(C#N)cc1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000552346567 468324169 /nfs/dbraw/zinc/32/41/69/468324169.db2.gz SWRWJRRZXKNDNU-UHFFFAOYSA-N 1 2 333.355 2.218 20 30 EEEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000012665967 462862404 /nfs/dbraw/zinc/86/24/04/462862404.db2.gz ZYKAYHDNFFDZKN-CQSZACIVSA-N 1 2 334.379 2.332 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccncc1Cl ZINC000155621485 462919223 /nfs/dbraw/zinc/91/92/23/462919223.db2.gz IBAIRIMDNKWZJT-LBPRGKRZSA-N 1 2 328.807 2.107 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccncc1Cl ZINC000155621485 462919226 /nfs/dbraw/zinc/91/92/26/462919226.db2.gz IBAIRIMDNKWZJT-LBPRGKRZSA-N 1 2 328.807 2.107 20 30 EEEDLO CCCCc1nc(CO[NH+]=C(N)c2ccc(OC)c(OC)c2)no1 ZINC000067098123 462965054 /nfs/dbraw/zinc/96/50/54/462965054.db2.gz PXCOABQHPQQRAO-UHFFFAOYSA-N 1 2 334.376 2.267 20 30 EEEDLO N#Cc1nc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[nH]c1C#N ZINC000026270286 463156868 /nfs/dbraw/zinc/15/68/68/463156868.db2.gz GRHGCKKMROJXBI-UHFFFAOYSA-N 1 2 334.383 2.391 20 30 EEEDLO C#Cc1cccc(NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000027344341 463188743 /nfs/dbraw/zinc/18/87/43/463188743.db2.gz JNOODYDMZSZCKT-UHFFFAOYSA-N 1 2 336.395 2.221 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC=C(c2ccc(O)cc2)CC1)C1CC1 ZINC000053815126 463191462 /nfs/dbraw/zinc/19/14/62/463191462.db2.gz POBKFEGNXCVYQF-IBGZPJMESA-N 1 2 325.412 2.290 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC=C(c2ccc(O)cc2)CC1)C1CC1 ZINC000053815126 463191467 /nfs/dbraw/zinc/19/14/67/463191467.db2.gz POBKFEGNXCVYQF-IBGZPJMESA-N 1 2 325.412 2.290 20 30 EEEDLO C=C[C@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000122728639 463288002 /nfs/dbraw/zinc/28/80/02/463288002.db2.gz UGAUOCAMHPDFIZ-GOSISDBHSA-N 1 2 341.455 2.421 20 30 EEEDLO C=CC[NH+](CC=C)CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000096969256 463301236 /nfs/dbraw/zinc/30/12/36/463301236.db2.gz CMPBVNGVQRZUDK-UHFFFAOYSA-N 1 2 329.444 2.341 20 30 EEEDLO CCn1cc[nH+]c1CN1CCCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000069770224 463321044 /nfs/dbraw/zinc/32/10/44/463321044.db2.gz ARCMZLCKJULQED-UHFFFAOYSA-N 1 2 337.427 2.123 20 30 EEEDLO COc1cc(C)c([C@H](C)NC(=O)C[NH+]2CCC(C#N)CC2)cc1OC ZINC000141958213 463357305 /nfs/dbraw/zinc/35/73/05/463357305.db2.gz CETALIZHTFBTEU-AWEZNQCLSA-N 1 2 345.443 2.425 20 30 EEEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000031909985 463358090 /nfs/dbraw/zinc/35/80/90/463358090.db2.gz KOGKJOYPPUOMDZ-CQSZACIVSA-N 1 2 347.378 2.223 20 30 EEEDLO COc1ccc(C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)c(OC)c1 ZINC000032832160 463397110 /nfs/dbraw/zinc/39/71/10/463397110.db2.gz XIHCUZJXMBEKHC-GOSISDBHSA-N 1 2 333.432 2.190 20 30 EEEDLO COc1ccc(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)c(OC)c1 ZINC000032832160 463397113 /nfs/dbraw/zinc/39/71/13/463397113.db2.gz XIHCUZJXMBEKHC-GOSISDBHSA-N 1 2 333.432 2.190 20 30 EEEDLO N#CCCN(C(=O)C[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000038442853 463445828 /nfs/dbraw/zinc/44/58/28/463445828.db2.gz IACHRXMKSVQXAW-UHFFFAOYSA-N 1 2 349.438 2.150 20 30 EEEDLO CN(Cc1ccc(C#N)cc1)c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000105787283 463463762 /nfs/dbraw/zinc/46/37/62/463463762.db2.gz CCXDUDNGVHWYOG-KRWDZBQOSA-N 1 2 337.427 2.193 20 30 EEEDLO CN(Cc1ccc(C#N)cc1)c1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000105787283 463463768 /nfs/dbraw/zinc/46/37/68/463463768.db2.gz CCXDUDNGVHWYOG-KRWDZBQOSA-N 1 2 337.427 2.193 20 30 EEEDLO CN(Cc1cccc(C#N)c1)c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000105787278 463464692 /nfs/dbraw/zinc/46/46/92/463464692.db2.gz KJKXDSMSFLFFAP-KRWDZBQOSA-N 1 2 337.427 2.193 20 30 EEEDLO CN(Cc1cccc(C#N)c1)c1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000105787278 463464695 /nfs/dbraw/zinc/46/46/95/463464695.db2.gz KJKXDSMSFLFFAP-KRWDZBQOSA-N 1 2 337.427 2.193 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)NC3CCCCC3)CC2)cc1 ZINC000057883341 463525565 /nfs/dbraw/zinc/52/55/65/463525565.db2.gz LTBIXJNHEFCFGC-UHFFFAOYSA-N 1 2 340.471 2.125 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1nc2ccccc2n1C ZINC000083243081 463542606 /nfs/dbraw/zinc/54/26/06/463542606.db2.gz UQGCJBXCRWTJSP-AUUYWEPGSA-N 1 2 341.459 2.448 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1nc2ccccc2n1C ZINC000083243081 463542611 /nfs/dbraw/zinc/54/26/11/463542611.db2.gz UQGCJBXCRWTJSP-AUUYWEPGSA-N 1 2 341.459 2.448 20 30 EEEDLO N#Cc1cccc(NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000043329761 463636393 /nfs/dbraw/zinc/63/63/93/463636393.db2.gz KTRZQFPKAKOEBJ-UHFFFAOYSA-N 1 2 337.383 2.112 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185632312 463852595 /nfs/dbraw/zinc/85/25/95/463852595.db2.gz CKZSITBXJGLFHC-MRXNPFEDSA-N 1 2 335.835 2.475 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185632312 463852602 /nfs/dbraw/zinc/85/26/02/463852602.db2.gz CKZSITBXJGLFHC-MRXNPFEDSA-N 1 2 335.835 2.475 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277626649 463923260 /nfs/dbraw/zinc/92/32/60/463923260.db2.gz ATVRWKNEAPKXJQ-CYBMUJFWSA-N 1 2 332.835 2.024 20 30 EEEDLO COCCSCCCO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000278243235 463959634 /nfs/dbraw/zinc/95/96/34/463959634.db2.gz LIMGHGWBXUOXLM-UHFFFAOYSA-N 1 2 328.434 2.110 20 30 EEEDLO CCN(CC)C(=O)CN1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186290452 463970468 /nfs/dbraw/zinc/97/04/68/463970468.db2.gz JIWAVRUUHVDHHU-INIZCTEOSA-N 1 2 328.460 2.105 20 30 EEEDLO CCN(CC)C(=O)C[NH+]1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186290452 463970473 /nfs/dbraw/zinc/97/04/73/463970473.db2.gz JIWAVRUUHVDHHU-INIZCTEOSA-N 1 2 328.460 2.105 20 30 EEEDLO CCCCCCCCNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000284009672 464066729 /nfs/dbraw/zinc/06/67/29/464066729.db2.gz MAYVHKZPROABGY-UHFFFAOYSA-N 1 2 330.432 2.427 20 30 EEEDLO CSC[C@@](C)(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000289974932 464102999 /nfs/dbraw/zinc/10/29/99/464102999.db2.gz RIMKKDVMPGTMJV-OAHLLOKOSA-N 1 2 345.384 2.156 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000292469216 464243713 /nfs/dbraw/zinc/24/37/13/464243713.db2.gz ZPGDAJBCDMXAAF-HNNXBMFYSA-N 1 2 332.423 2.098 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000292469216 464243716 /nfs/dbraw/zinc/24/37/16/464243716.db2.gz ZPGDAJBCDMXAAF-HNNXBMFYSA-N 1 2 332.423 2.098 20 30 EEEDLO NC(=[NH+]O[C@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1CCCO1 ZINC000284612867 464262941 /nfs/dbraw/zinc/26/29/41/464262941.db2.gz ZCKJHGYJTNFKKD-KGLIPLIRSA-N 1 2 337.807 2.303 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2csc(-c3ncccc3F)n2)CC1 ZINC000271085886 464280020 /nfs/dbraw/zinc/28/00/20/464280020.db2.gz TYSLXJWFUHSGRY-UHFFFAOYSA-N 1 2 344.415 2.125 20 30 EEEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCO[C@H](C#N)C3)n2)C1 ZINC000264322391 464294943 /nfs/dbraw/zinc/29/49/43/464294943.db2.gz BNFUCDZDYKVVFD-GXTWGEPZSA-N 1 2 349.460 2.131 20 30 EEEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCO[C@H](C#N)C3)n2)C1 ZINC000264322391 464294951 /nfs/dbraw/zinc/29/49/51/464294951.db2.gz BNFUCDZDYKVVFD-GXTWGEPZSA-N 1 2 349.460 2.131 20 30 EEEDLO Cn1cc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)cc1C#N ZINC000292798800 464345338 /nfs/dbraw/zinc/34/53/38/464345338.db2.gz NGTPJQIZXMLPRJ-UHFFFAOYSA-N 1 2 326.375 2.299 20 30 EEEDLO Cn1cc(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)cc1C#N ZINC000292798800 464345347 /nfs/dbraw/zinc/34/53/47/464345347.db2.gz NGTPJQIZXMLPRJ-UHFFFAOYSA-N 1 2 326.375 2.299 20 30 EEEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)N(C)C2CCCCC2)cs1 ZINC000174113748 464363638 /nfs/dbraw/zinc/36/36/38/464363638.db2.gz SOOJAMWNJUZMPI-LLVKDONJSA-N 1 2 338.477 2.462 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000189132762 464441056 /nfs/dbraw/zinc/44/10/56/464441056.db2.gz IRGQNHJTKGKMAU-ZDUSSCGKSA-N 1 2 339.399 2.034 20 30 EEEDLO N#C[C@]1(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC12CCCC2 ZINC000294273603 464452615 /nfs/dbraw/zinc/45/26/15/464452615.db2.gz DKWXMAPJUCRUKR-IBGZPJMESA-N 1 2 340.427 2.008 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000245481222 464486263 /nfs/dbraw/zinc/48/62/63/464486263.db2.gz YBPINFMHIOUNEX-NLWZSEAUSA-N 1 2 349.500 2.471 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000245481222 464486268 /nfs/dbraw/zinc/48/62/68/464486268.db2.gz YBPINFMHIOUNEX-NLWZSEAUSA-N 1 2 349.500 2.471 20 30 EEEDLO CCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246275950 464567432 /nfs/dbraw/zinc/56/74/32/464567432.db2.gz ABXHIQUUGCYVQE-DLBZAZTESA-N 1 2 343.427 2.011 20 30 EEEDLO CCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246275950 464567437 /nfs/dbraw/zinc/56/74/37/464567437.db2.gz ABXHIQUUGCYVQE-DLBZAZTESA-N 1 2 343.427 2.011 20 30 EEEDLO COCc1noc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000285579516 464616310 /nfs/dbraw/zinc/61/63/10/464616310.db2.gz UYSROFRBTYBPNM-UHFFFAOYSA-N 1 2 346.362 2.270 20 30 EEEDLO C[C@@](C#N)(NC(=O)CN1CCc2c([nH+]cn2-c2ccccc2)C1)C1CC1 ZINC000272537270 464651699 /nfs/dbraw/zinc/65/16/99/464651699.db2.gz NEZUXHBDVFJXIX-FQEVSTJZSA-N 1 2 349.438 2.039 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000568964443 468414516 /nfs/dbraw/zinc/41/45/16/468414516.db2.gz RMJHTINEGPIFMO-CVEARBPZSA-N 1 2 328.416 2.136 20 30 EEEDLO CN1CC[NH+]([C@@H](C(=O)N2CCC(C)(C#N)CC2)c2ccccc2)CC1 ZINC000272557344 464657895 /nfs/dbraw/zinc/65/78/95/464657895.db2.gz SKFGLTQWZBFQBQ-GOSISDBHSA-N 1 2 340.471 2.127 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000248342531 464742868 /nfs/dbraw/zinc/74/28/68/464742868.db2.gz JPYHBYCIPCDHKB-DYVFJYSZSA-N 1 2 333.457 2.476 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@](C)(O)C1 ZINC000248342531 464742875 /nfs/dbraw/zinc/74/28/75/464742875.db2.gz JPYHBYCIPCDHKB-DYVFJYSZSA-N 1 2 333.457 2.476 20 30 EEEDLO C#C[C@@H](C)NC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000274735474 464753849 /nfs/dbraw/zinc/75/38/49/464753849.db2.gz BZBUVOALTRHBPN-OAHLLOKOSA-N 1 2 334.423 2.465 20 30 EEEDLO COC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177105410 464931612 /nfs/dbraw/zinc/93/16/12/464931612.db2.gz BBLFIKKVQBYVIO-GFCCVEGCSA-N 1 2 335.429 2.060 20 30 EEEDLO COC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177105410 464931617 /nfs/dbraw/zinc/93/16/17/464931617.db2.gz BBLFIKKVQBYVIO-GFCCVEGCSA-N 1 2 335.429 2.060 20 30 EEEDLO CC(C)(C)[C@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000267544112 464935500 /nfs/dbraw/zinc/93/55/00/464935500.db2.gz WFXHZRPMXVGEGW-AWEZNQCLSA-N 1 2 327.344 2.449 20 30 EEEDLO C=CCn1c([C@@H]2CCCO2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000295876356 464993873 /nfs/dbraw/zinc/99/38/73/464993873.db2.gz GRHIPZDWHUSIHZ-HNNXBMFYSA-N 1 2 340.431 2.037 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000184607165 465007845 /nfs/dbraw/zinc/00/78/45/465007845.db2.gz APISIBUNXZZJRV-JKSUJKDBSA-N 1 2 348.516 2.411 20 30 EEEDLO N#C[C@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCN1Cc1ccccc1 ZINC000548086083 468429328 /nfs/dbraw/zinc/42/93/28/468429328.db2.gz NWARHVWTECXCCY-IRXDYDNUSA-N 1 2 349.438 2.066 20 30 EEEDLO O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000329453436 465338570 /nfs/dbraw/zinc/33/85/70/465338570.db2.gz MKTKUWCSXYHCMS-HNNXBMFYSA-N 1 2 343.427 2.003 20 30 EEEDLO CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329472136 465345046 /nfs/dbraw/zinc/34/50/46/465345046.db2.gz ZJZNHNOOWIOUPM-HUUCEWRRSA-N 1 2 333.432 2.078 20 30 EEEDLO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329472136 465345051 /nfs/dbraw/zinc/34/50/51/465345051.db2.gz ZJZNHNOOWIOUPM-HUUCEWRRSA-N 1 2 333.432 2.078 20 30 EEEDLO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@@H]1CCOc2ccc(F)cc21 ZINC000329606093 465384262 /nfs/dbraw/zinc/38/42/62/465384262.db2.gz MISWOXGKZGLXIS-DGCLKSJQSA-N 1 2 330.363 2.434 20 30 EEEDLO [O-]C(N[C@@H]1CCOc2ccc(F)cc21)=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329606093 465384268 /nfs/dbraw/zinc/38/42/68/465384268.db2.gz MISWOXGKZGLXIS-DGCLKSJQSA-N 1 2 330.363 2.434 20 30 EEEDLO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@@H]1C[C@@]12CCOC2 ZINC000329630325 465393180 /nfs/dbraw/zinc/39/31/80/465393180.db2.gz VJFHFHNHRSWGIO-YQVWRLOYSA-N 1 2 330.428 2.443 20 30 EEEDLO C[C@@H](NC(=O)C1CCN(c2cnccn2)CC1)C1=CC[N@H+](C)CC1 ZINC000329712755 465412427 /nfs/dbraw/zinc/41/24/27/465412427.db2.gz QMHJXNKHYJYPTF-CQSZACIVSA-N 1 2 329.448 2.300 20 30 EEEDLO C[C@@H](NC(=O)C1CCN(c2cnccn2)CC1)C1=CC[N@@H+](C)CC1 ZINC000329712755 465412432 /nfs/dbraw/zinc/41/24/32/465412432.db2.gz QMHJXNKHYJYPTF-CQSZACIVSA-N 1 2 329.448 2.300 20 30 EEEDLO O=C(NC[C@H]1CCCO1)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000329924219 465475563 /nfs/dbraw/zinc/47/55/63/465475563.db2.gz HNMVQBFDVQLMOD-MELADBBJSA-N 1 2 341.452 2.343 20 30 EEEDLO O=C(NC[C@H]1CCCO1)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000329924219 465475568 /nfs/dbraw/zinc/47/55/68/465475568.db2.gz HNMVQBFDVQLMOD-MELADBBJSA-N 1 2 341.452 2.343 20 30 EEEDLO O=C(NC1CCN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)CC1)C1CC1 ZINC000329957979 465486773 /nfs/dbraw/zinc/48/67/73/465486773.db2.gz PRNVRJXSCLKPCN-ZDUSSCGKSA-N 1 2 345.447 2.190 20 30 EEEDLO CCN1CCN(C(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329963115 465489163 /nfs/dbraw/zinc/48/91/63/465489163.db2.gz PQUXGQPACKQVJF-IYOUNJFTSA-N 1 2 349.479 2.206 20 30 EEEDLO C[C@@H]1C[N@H+](CC(=O)NCCc2ccc(F)cc2)C[C@]2(CCOC2)O1 ZINC000330103351 465533615 /nfs/dbraw/zinc/53/36/15/465533615.db2.gz GHHCHBXCRBEEMW-KDOFPFPSSA-N 1 2 336.407 2.205 20 30 EEEDLO C[C@@H]1C[N@@H+](CC(=O)NCCc2ccc(F)cc2)C[C@]2(CCOC2)O1 ZINC000330103351 465533619 /nfs/dbraw/zinc/53/36/19/465533619.db2.gz GHHCHBXCRBEEMW-KDOFPFPSSA-N 1 2 336.407 2.205 20 30 EEEDLO C=CCOCC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000337711940 465534465 /nfs/dbraw/zinc/53/44/65/465534465.db2.gz FJNWWLXAZNJCSJ-INIZCTEOSA-N 1 2 332.444 2.321 20 30 EEEDLO C=CCOCC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000337711940 465534468 /nfs/dbraw/zinc/53/44/68/465534468.db2.gz FJNWWLXAZNJCSJ-INIZCTEOSA-N 1 2 332.444 2.321 20 30 EEEDLO CN1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)Cc2ccccc21 ZINC000330202199 465567379 /nfs/dbraw/zinc/56/73/79/465567379.db2.gz YYQGAIVSOATRMS-HNNXBMFYSA-N 1 2 325.416 2.064 20 30 EEEDLO CN1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)Cc2ccccc21 ZINC000330202199 465567383 /nfs/dbraw/zinc/56/73/83/465567383.db2.gz YYQGAIVSOATRMS-HNNXBMFYSA-N 1 2 325.416 2.064 20 30 EEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C ZINC000330234385 465580115 /nfs/dbraw/zinc/58/01/15/465580115.db2.gz SOVFTXZNTPTXOH-OLZOCXBDSA-N 1 2 346.431 2.138 20 30 EEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C ZINC000330234385 465580121 /nfs/dbraw/zinc/58/01/21/465580121.db2.gz SOVFTXZNTPTXOH-OLZOCXBDSA-N 1 2 346.431 2.138 20 30 EEEDLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000330283580 465598616 /nfs/dbraw/zinc/59/86/16/465598616.db2.gz WGPVNZPTLXBHKF-KMCQBPLKSA-N 1 2 347.459 2.116 20 30 EEEDLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000330283580 465598623 /nfs/dbraw/zinc/59/86/23/465598623.db2.gz WGPVNZPTLXBHKF-KMCQBPLKSA-N 1 2 347.459 2.116 20 30 EEEDLO Cc1ccc(CNC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cn1 ZINC000330324178 465611392 /nfs/dbraw/zinc/61/13/92/465611392.db2.gz IGABSDRSSISUIW-GDBMZVCRSA-N 1 2 329.404 2.047 20 30 EEEDLO Cc1nc(CNC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)sc1C ZINC000330331080 465615548 /nfs/dbraw/zinc/61/55/48/465615548.db2.gz NVPOPGKNEQSJBY-OCCSQVGLSA-N 1 2 349.460 2.417 20 30 EEEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1 ZINC000330561451 465706257 /nfs/dbraw/zinc/70/62/57/465706257.db2.gz IIYUZXTYNKOVRW-SNVBAGLBSA-N 1 2 348.369 2.292 20 30 EEEDLO C[N@H+]1CCO[C@H](CNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1 ZINC000330561451 465706259 /nfs/dbraw/zinc/70/62/59/465706259.db2.gz IIYUZXTYNKOVRW-SNVBAGLBSA-N 1 2 348.369 2.292 20 30 EEEDLO Cn1cc(N2CC[C@H]([N@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2=O)cn1 ZINC000362423873 465725441 /nfs/dbraw/zinc/72/54/41/465725441.db2.gz CXBJZTXLSDIPLT-IBGZPJMESA-N 1 2 347.422 2.186 20 30 EEEDLO Cn1cc(N2CC[C@H]([N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2=O)cn1 ZINC000362423873 465725446 /nfs/dbraw/zinc/72/54/46/465725446.db2.gz CXBJZTXLSDIPLT-IBGZPJMESA-N 1 2 347.422 2.186 20 30 EEEDLO Cc1nc(C(F)(F)F)ccc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330623137 465736476 /nfs/dbraw/zinc/73/64/76/465736476.db2.gz PEXBZRPAQOUMFB-SNVBAGLBSA-N 1 2 331.338 2.434 20 30 EEEDLO Cc1nc(C(F)(F)F)ccc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330623137 465736479 /nfs/dbraw/zinc/73/64/79/465736479.db2.gz PEXBZRPAQOUMFB-SNVBAGLBSA-N 1 2 331.338 2.434 20 30 EEEDLO CN(C)C(=O)N1CC[N@H+](CCOc2ccccc2C#N)C(C)(C)C1 ZINC000330694590 465765916 /nfs/dbraw/zinc/76/59/16/465765916.db2.gz IOZJNMPCAUFREG-UHFFFAOYSA-N 1 2 330.432 2.015 20 30 EEEDLO CN(C)C(=O)N1CC[N@@H+](CCOc2ccccc2C#N)C(C)(C)C1 ZINC000330694590 465765920 /nfs/dbraw/zinc/76/59/20/465765920.db2.gz IOZJNMPCAUFREG-UHFFFAOYSA-N 1 2 330.432 2.015 20 30 EEEDLO C=C[C@@H](CC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000340162077 465834792 /nfs/dbraw/zinc/83/47/92/465834792.db2.gz RLBMPCZYPYKEPK-SFHVURJKSA-N 1 2 338.455 2.424 20 30 EEEDLO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)c1 ZINC000345816016 465907046 /nfs/dbraw/zinc/90/70/46/465907046.db2.gz VHEMQUNYESFHOR-MRXNPFEDSA-N 1 2 326.444 2.068 20 30 EEEDLO Cc1cc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc(N2CCCC2)n1 ZINC000357304180 465930417 /nfs/dbraw/zinc/93/04/17/465930417.db2.gz UJQMUKQMCNZSON-LJQANCHMSA-N 1 2 349.438 2.178 20 30 EEEDLO CCc1nc(C)c(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)s1 ZINC000331167275 465963722 /nfs/dbraw/zinc/96/37/22/465963722.db2.gz BPRHCNLHODBIKQ-PWSUYJOCSA-N 1 2 326.466 2.449 20 30 EEEDLO CCS(=O)(=O)C[C@@H](C)N(C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331287703 466014177 /nfs/dbraw/zinc/01/41/77/466014177.db2.gz AISBYCTWDAPBFD-GFCCVEGCSA-N 1 2 327.450 2.307 20 30 EEEDLO CC(C)[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)CC[N@@H+]1C ZINC000362894900 466105204 /nfs/dbraw/zinc/10/52/04/466105204.db2.gz FZMUSTFOWATQPO-AWEZNQCLSA-N 1 2 341.864 2.172 20 30 EEEDLO CC(C)[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)CC[N@H+]1C ZINC000362894900 466105212 /nfs/dbraw/zinc/10/52/12/466105212.db2.gz FZMUSTFOWATQPO-AWEZNQCLSA-N 1 2 341.864 2.172 20 30 EEEDLO CC(C)(C#N)CCS(=O)(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000580484686 468478176 /nfs/dbraw/zinc/47/81/76/468478176.db2.gz YAICBPHYGUMERE-UHFFFAOYSA-N 1 2 340.836 2.347 20 30 EEEDLO COc1cccc([C@@H](NC(=O)c2cc(C#N)c[nH]2)c2[nH+]ccn2C)c1 ZINC000363123846 466232773 /nfs/dbraw/zinc/23/27/73/466232773.db2.gz JTXQQGHRWSJWTI-MRXNPFEDSA-N 1 2 335.367 2.148 20 30 EEEDLO CC(C)Oc1cc(C[N@H+](CC(=O)NC2(C#N)CCC2)C2CC2)ccn1 ZINC000346959931 466282048 /nfs/dbraw/zinc/28/20/48/466282048.db2.gz CWJAWTGFYFWGLJ-UHFFFAOYSA-N 1 2 342.443 2.396 20 30 EEEDLO CC(C)Oc1cc(C[N@@H+](CC(=O)NC2(C#N)CCC2)C2CC2)ccn1 ZINC000346959931 466282058 /nfs/dbraw/zinc/28/20/58/466282058.db2.gz CWJAWTGFYFWGLJ-UHFFFAOYSA-N 1 2 342.443 2.396 20 30 EEEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)CCC(C)(C)C#N ZINC000569411666 468484887 /nfs/dbraw/zinc/48/48/87/468484887.db2.gz QWAZONZOFYQHMB-UHFFFAOYSA-N 1 2 340.493 2.427 20 30 EEEDLO N#CC[C@@H](CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000332250842 466470180 /nfs/dbraw/zinc/47/01/80/466470180.db2.gz CKRFNKQBNKOBGC-ZWKOTPCHSA-N 1 2 327.428 2.007 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)c1 ZINC000363653367 466534706 /nfs/dbraw/zinc/53/47/06/466534706.db2.gz YMPWJBPGPQSRKB-UHFFFAOYSA-N 1 2 326.375 2.374 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)c1 ZINC000363653367 466534710 /nfs/dbraw/zinc/53/47/10/466534710.db2.gz YMPWJBPGPQSRKB-UHFFFAOYSA-N 1 2 326.375 2.374 20 30 EEEDLO CCOC(=O)C1CCN(C(=O)C[N@H+](CCC#N)CCC(C)C)CC1 ZINC000362182221 466607203 /nfs/dbraw/zinc/60/72/03/466607203.db2.gz CBQYWVCEGOAVDN-UHFFFAOYSA-N 1 2 337.464 2.050 20 30 EEEDLO CCOC(=O)C1CCN(C(=O)C[N@@H+](CCC#N)CCC(C)C)CC1 ZINC000362182221 466607208 /nfs/dbraw/zinc/60/72/08/466607208.db2.gz CBQYWVCEGOAVDN-UHFFFAOYSA-N 1 2 337.464 2.050 20 30 EEEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(c3cn[nH]c3)CC2)C1=O ZINC000368543049 466665088 /nfs/dbraw/zinc/66/50/88/466665088.db2.gz KNVJPGOVTZALNP-HNNXBMFYSA-N 1 2 341.440 2.328 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000373835255 466936739 /nfs/dbraw/zinc/93/67/39/466936739.db2.gz KGRIMWGGDODMOL-HNNXBMFYSA-N 1 2 342.424 2.244 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000373835255 466936744 /nfs/dbraw/zinc/93/67/44/466936744.db2.gz KGRIMWGGDODMOL-HNNXBMFYSA-N 1 2 342.424 2.244 20 30 EEEDLO COC(=O)[C@@]1(C)CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000412060677 466987616 /nfs/dbraw/zinc/98/76/16/466987616.db2.gz GOGJNGTZDGSAIF-KRWDZBQOSA-N 1 2 349.456 2.450 20 30 EEEDLO COC(=O)[C@@]1(C)CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000412060677 466987621 /nfs/dbraw/zinc/98/76/21/466987621.db2.gz GOGJNGTZDGSAIF-KRWDZBQOSA-N 1 2 349.456 2.450 20 30 EEEDLO N#CC1(CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCC1 ZINC000419406207 467195512 /nfs/dbraw/zinc/19/55/12/467195512.db2.gz IQWWMNYEHSANII-UHFFFAOYSA-N 1 2 337.427 2.467 20 30 EEEDLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433315478 467317462 /nfs/dbraw/zinc/31/74/62/467317462.db2.gz FEOPRNHUJIWKSC-OAHLLOKOSA-N 1 2 345.443 2.156 20 30 EEEDLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433315478 467317464 /nfs/dbraw/zinc/31/74/64/467317464.db2.gz FEOPRNHUJIWKSC-OAHLLOKOSA-N 1 2 345.443 2.156 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000378500994 467324484 /nfs/dbraw/zinc/32/44/84/467324484.db2.gz SKLDKQJJOFRYFX-JQFCIGGWSA-N 1 2 332.400 2.130 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000378500994 467324488 /nfs/dbraw/zinc/32/44/88/467324488.db2.gz SKLDKQJJOFRYFX-JQFCIGGWSA-N 1 2 332.400 2.130 20 30 EEEDLO Cc1cccc(-n2ccnc2SC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000414092799 467376797 /nfs/dbraw/zinc/37/67/97/467376797.db2.gz GRSWGAIRRXBJNB-MRXNPFEDSA-N 1 2 330.457 2.479 20 30 EEEDLO Cc1cccc(-n2ccnc2SC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414092799 467376799 /nfs/dbraw/zinc/37/67/99/467376799.db2.gz GRSWGAIRRXBJNB-MRXNPFEDSA-N 1 2 330.457 2.479 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(NC(=O)c2ccco2)cc1 ZINC000414112413 467379285 /nfs/dbraw/zinc/37/92/85/467379285.db2.gz QWXJVBMDGQGEFE-OAHLLOKOSA-N 1 2 343.383 2.117 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(NC(=O)c2ccco2)cc1 ZINC000414112413 467379287 /nfs/dbraw/zinc/37/92/87/467379287.db2.gz QWXJVBMDGQGEFE-OAHLLOKOSA-N 1 2 343.383 2.117 20 30 EEEDLO CCC(CC)n1ccc(CN(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000437583801 467556928 /nfs/dbraw/zinc/55/69/28/467556928.db2.gz XUWJCYMCTLQQPU-UHFFFAOYSA-N 1 2 333.480 2.292 20 30 EEEDLO Cn1c2c(cccc2F)[nH+]c1N1CCN(c2cc(C#N)ccn2)CC1 ZINC000443435832 467579849 /nfs/dbraw/zinc/57/98/49/467579849.db2.gz ZDVDAMVVABDRRT-UHFFFAOYSA-N 1 2 336.374 2.306 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000457607017 467661310 /nfs/dbraw/zinc/66/13/10/467661310.db2.gz RVFIVHWKQISNRF-MRXNPFEDSA-N 1 2 332.448 2.198 20 30 EEEDLO C=CC(C)(C)CNC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000455384327 467672920 /nfs/dbraw/zinc/67/29/20/467672920.db2.gz LPZDBDLBNZKENC-SFHVURJKSA-N 1 2 339.480 2.304 20 30 EEEDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000496677843 467689233 /nfs/dbraw/zinc/68/92/33/467689233.db2.gz HUXQRGBCEMQZRC-ZDUSSCGKSA-N 1 2 332.360 2.177 20 30 EEEDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000496677843 467689238 /nfs/dbraw/zinc/68/92/38/467689238.db2.gz HUXQRGBCEMQZRC-ZDUSSCGKSA-N 1 2 332.360 2.177 20 30 EEEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)C=Cc2c[nH]c[nH+]2)ccc1OC ZINC000492810805 467759708 /nfs/dbraw/zinc/75/97/08/467759708.db2.gz JBZXLDUWDUEYNY-PKYBCLHXSA-N 1 2 340.383 2.429 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000516774192 468046114 /nfs/dbraw/zinc/04/61/14/468046114.db2.gz IHZPGQVTWKMGOI-MRXNPFEDSA-N 1 2 331.807 2.099 20 30 EEEDLO N#CC1(CNC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000517305191 468080286 /nfs/dbraw/zinc/08/02/86/468080286.db2.gz CBNWRQXLWSVQHJ-UHFFFAOYSA-N 1 2 332.835 2.471 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1CCCC1N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000495627278 468098362 /nfs/dbraw/zinc/09/83/62/468098362.db2.gz VIZFAICWPPYOGE-JHJVBQTASA-N 1 2 335.452 2.280 20 30 EEEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1nc(CC(=O)OCC)cs1 ZINC000489489107 468143852 /nfs/dbraw/zinc/14/38/52/468143852.db2.gz LZKUSTSAQPPADA-CYBMUJFWSA-N 1 2 337.445 2.228 20 30 EEEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1nc(CC(=O)OCC)cs1 ZINC000489489107 468143856 /nfs/dbraw/zinc/14/38/56/468143856.db2.gz LZKUSTSAQPPADA-CYBMUJFWSA-N 1 2 337.445 2.228 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N(CCC#N)CCC#N)C(F)(F)F ZINC000566436047 468152240 /nfs/dbraw/zinc/15/22/40/468152240.db2.gz XMQMAUUGMURZFP-LLVKDONJSA-N 1 2 327.310 2.112 20 30 EEEDLO COC(=O)c1ccc([C@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)o1 ZINC000590013940 468206395 /nfs/dbraw/zinc/20/63/95/468206395.db2.gz IECXNWJCIMJTLN-ZDUSSCGKSA-N 1 2 340.383 2.216 20 30 EEEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](n4ccnn4)C3)o2)c1 ZINC000591851644 468531151 /nfs/dbraw/zinc/53/11/51/468531151.db2.gz VXDGPKAYJKGIDJ-OAHLLOKOSA-N 1 2 335.371 2.037 20 30 EEEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](n4ccnn4)C3)o2)c1 ZINC000591851644 468531155 /nfs/dbraw/zinc/53/11/55/468531155.db2.gz VXDGPKAYJKGIDJ-OAHLLOKOSA-N 1 2 335.371 2.037 20 30 EEEDLO N#Cc1ccc(Cl)c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000597708292 468645947 /nfs/dbraw/zinc/64/59/47/468645947.db2.gz XNTDRUDVCKQDFD-AWEZNQCLSA-N 1 2 333.819 2.148 20 30 EEEDLO CC(C)(C#N)c1ccc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000597708247 468646273 /nfs/dbraw/zinc/64/62/73/468646273.db2.gz VPADGMCGKHKAQT-GOSISDBHSA-N 1 2 341.455 2.425 20 30 EEEDLO COCc1noc([C@@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)n1 ZINC000570809471 468696780 /nfs/dbraw/zinc/69/67/80/468696780.db2.gz CBNXNQPYRFSCNM-CYBMUJFWSA-N 1 2 327.388 2.229 20 30 EEEDLO N#Cc1cccc(F)c1CC(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000571060638 468735641 /nfs/dbraw/zinc/73/56/41/468735641.db2.gz OOVRKSXYSBIQMF-UHFFFAOYSA-N 1 2 339.361 2.333 20 30 EEEDLO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593154698 468889401 /nfs/dbraw/zinc/88/94/01/468889401.db2.gz UPZYUORYHAQLKC-BMIGLBTASA-N 1 2 327.787 2.206 20 30 EEEDLO N#Cc1cncnc1N1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000584526534 468892585 /nfs/dbraw/zinc/89/25/85/468892585.db2.gz VANXWZVGCNORBL-UHFFFAOYSA-N 1 2 336.424 2.280 20 30 EEEDLO CCNc1nc(N2CCC(CCC#N)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000572152393 468893877 /nfs/dbraw/zinc/89/38/77/468893877.db2.gz UEFYCAGDKLOOFP-UHFFFAOYSA-N 1 2 331.468 2.456 20 30 EEEDLO CCNc1nc(NC(C)(C)C)nc(N2CCC(CCC#N)CC2)[nH+]1 ZINC000572152393 468893879 /nfs/dbraw/zinc/89/38/79/468893879.db2.gz UEFYCAGDKLOOFP-UHFFFAOYSA-N 1 2 331.468 2.456 20 30 EEEDLO CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC(CCC#N)CC2)n1 ZINC000572152393 468893883 /nfs/dbraw/zinc/89/38/83/468893883.db2.gz UEFYCAGDKLOOFP-UHFFFAOYSA-N 1 2 331.468 2.456 20 30 EEEDLO Cc1[nH+]cn(-c2ccc(NC[C@H](O)CN(C)CCC#N)cc2)c1C ZINC000584716421 468919163 /nfs/dbraw/zinc/91/91/63/468919163.db2.gz OBTMVDDYNDQIHI-SFHVURJKSA-N 1 2 327.432 2.107 20 30 EEEDLO COc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000595758828 468992198 /nfs/dbraw/zinc/99/21/98/468992198.db2.gz IACRTLXOMNTJPZ-IFXJQAMLSA-N 1 2 329.444 2.496 20 30 EEEDLO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000595758828 468992201 /nfs/dbraw/zinc/99/22/01/468992201.db2.gz IACRTLXOMNTJPZ-IFXJQAMLSA-N 1 2 329.444 2.496 20 30 EEEDLO COc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1C(F)(F)F ZINC000598837330 469019960 /nfs/dbraw/zinc/01/99/60/469019960.db2.gz VJJQSIMAMURFHB-AWEZNQCLSA-N 1 2 329.322 2.288 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC[NH+]1CCN(C(=O)[C@@](C)(C=C)CC)CC1 ZINC000614908832 469092141 /nfs/dbraw/zinc/09/21/41/469092141.db2.gz IVORGBWADAHFDU-PMACEKPBSA-N 1 2 349.519 2.451 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccnc(SCC(F)(F)F)c1 ZINC000573253984 469093277 /nfs/dbraw/zinc/09/32/77/469093277.db2.gz MJPUALSRFJDVAH-CYBMUJFWSA-N 1 2 346.378 2.310 20 30 EEEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000614924743 469096409 /nfs/dbraw/zinc/09/64/09/469096409.db2.gz LGVMJMIXILGCHB-NWANDNLSSA-N 1 2 349.397 2.473 20 30 EEEDLO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000614924743 469096410 /nfs/dbraw/zinc/09/64/10/469096410.db2.gz LGVMJMIXILGCHB-NWANDNLSSA-N 1 2 349.397 2.473 20 30 EEEDLO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)CC#N)cc1OC ZINC000602870813 469131190 /nfs/dbraw/zinc/13/11/90/469131190.db2.gz XKYMZCZNAKSRNH-UKRRQHHQSA-N 1 2 331.416 2.259 20 30 EEEDLO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)CC#N)cc1OC ZINC000602870811 469131461 /nfs/dbraw/zinc/13/14/61/469131461.db2.gz XKYMZCZNAKSRNH-DZGCQCFKSA-N 1 2 331.416 2.259 20 30 EEEDLO Cc1ccccc1C[C@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000599230568 469171907 /nfs/dbraw/zinc/17/19/07/469171907.db2.gz QRPXAZRKXOPOFL-SFHVURJKSA-N 1 2 343.471 2.248 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCN(CCC#N)CC1 ZINC000611176109 469182873 /nfs/dbraw/zinc/18/28/73/469182873.db2.gz VCLCOFDYGZTAEV-HNNXBMFYSA-N 1 2 337.427 2.093 20 30 EEEDLO C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCN(CCC#N)CC1 ZINC000611176110 469183010 /nfs/dbraw/zinc/18/30/10/469183010.db2.gz VCLCOFDYGZTAEV-OAHLLOKOSA-N 1 2 337.427 2.093 20 30 EEEDLO C[C@@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1ccc(C#N)cc1 ZINC000596166470 469183365 /nfs/dbraw/zinc/18/33/65/469183365.db2.gz ZGLKANGGDPQAJO-RBSFLKMASA-N 1 2 330.432 2.028 20 30 EEEDLO C[C@@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1ccc(C#N)cc1 ZINC000596166470 469183371 /nfs/dbraw/zinc/18/33/71/469183371.db2.gz ZGLKANGGDPQAJO-RBSFLKMASA-N 1 2 330.432 2.028 20 30 EEEDLO Cc1cc(N(C)[C@H]2CCCOC2)c(C#N)c(N(C)[C@H]2CCCOC2)[nH+]1 ZINC000596231561 469215263 /nfs/dbraw/zinc/21/52/63/469215263.db2.gz QJPZYCJITNKPPL-HOTGVXAUSA-N 1 2 344.459 2.492 20 30 EEEDLO CCN1CC[NH+](CC(C)(C)Nc2nc(C#N)c(Cl)s2)CC1 ZINC000596262640 469226009 /nfs/dbraw/zinc/22/60/09/469226009.db2.gz YUIOUGDUCQWNIG-UHFFFAOYSA-N 1 2 327.885 2.496 20 30 EEEDLO COc1ccc(Br)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000564872746 469261289 /nfs/dbraw/zinc/26/12/89/469261289.db2.gz QXLOHHMKTJUDNN-AWEZNQCLSA-N 1 2 340.221 2.031 20 30 EEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc2c(C#N)cnn2c1 ZINC000573967395 469237587 /nfs/dbraw/zinc/23/75/87/469237587.db2.gz WCKHUBZEPWQMAD-UHFFFAOYSA-N 1 2 337.383 2.265 20 30 EEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc2c(C#N)cnn2c1 ZINC000573967395 469237593 /nfs/dbraw/zinc/23/75/93/469237593.db2.gz WCKHUBZEPWQMAD-UHFFFAOYSA-N 1 2 337.383 2.265 20 30 EEEDLO C[C@@H](C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[NH+]1CCOCC1 ZINC000563385683 469237646 /nfs/dbraw/zinc/23/76/46/469237646.db2.gz LZNOQHWCBIRBPG-RYQLBKOJSA-N 1 2 327.428 2.005 20 30 EEEDLO C[C@H](O)[C@H]1CCN(c2cc(NCCc3ccc(C#N)cc3)[nH+]cn2)C1 ZINC000596321372 469243784 /nfs/dbraw/zinc/24/37/84/469243784.db2.gz ITQOCJHXKCYKPA-YOEHRIQHSA-N 1 2 337.427 2.210 20 30 EEEDLO C[C@H](O)[C@H]1CCN(c2cc(NCCc3ccc(C#N)cc3)nc[nH+]2)C1 ZINC000596321372 469243787 /nfs/dbraw/zinc/24/37/87/469243787.db2.gz ITQOCJHXKCYKPA-YOEHRIQHSA-N 1 2 337.427 2.210 20 30 EEEDLO Cc1ccc(C#N)nc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000596349922 469248547 /nfs/dbraw/zinc/24/85/47/469248547.db2.gz QPQLIIDKCDQFID-MOPGFXCFSA-N 1 2 334.423 2.351 20 30 EEEDLO Cc1ccc(C#N)nc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000596349922 469248552 /nfs/dbraw/zinc/24/85/52/469248552.db2.gz QPQLIIDKCDQFID-MOPGFXCFSA-N 1 2 334.423 2.351 20 30 EEEDLO Cn1c(CN(CCC#N)CC[NH+]2CCOCC2)cc2ccccc21 ZINC000602423772 469310340 /nfs/dbraw/zinc/31/03/40/469310340.db2.gz GQLHLCWRCJQWTH-UHFFFAOYSA-N 1 2 326.444 2.226 20 30 EEEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H](C#N)c1ccccc1Br ZINC000619436297 469604904 /nfs/dbraw/zinc/60/49/04/469604904.db2.gz SUAJFKWXLGJAMW-AWEZNQCLSA-N 1 2 347.216 2.496 20 30 EEEDLO N#Cc1cccc(-n2ccc(C(=O)N3CC(Oc4cc[nH+]cc4)C3)n2)c1 ZINC000619612035 469650229 /nfs/dbraw/zinc/65/02/29/469650229.db2.gz QCHHJTGBWLTGAC-UHFFFAOYSA-N 1 2 345.362 2.042 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000619719061 469669417 /nfs/dbraw/zinc/66/94/17/469669417.db2.gz QSYBUNKXVSITGC-AAEUAGOBSA-N 1 2 337.807 2.113 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000619719061 469669425 /nfs/dbraw/zinc/66/94/25/469669425.db2.gz QSYBUNKXVSITGC-AAEUAGOBSA-N 1 2 337.807 2.113 20 30 EEEDLO N#Cc1cc(O)cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000614357735 469918863 /nfs/dbraw/zinc/91/88/63/469918863.db2.gz KQPMUPPOZSIMHN-UHFFFAOYSA-N 1 2 337.379 2.348 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000609485202 469931684 /nfs/dbraw/zinc/93/16/84/469931684.db2.gz LBRVHHHEOXONIT-IEBWSBKVSA-N 1 2 342.487 2.199 20 30 EEEDLO N#Cc1c(F)cccc1NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000609578088 469942229 /nfs/dbraw/zinc/94/22/29/469942229.db2.gz JRYUVUAQNQXCES-UHFFFAOYSA-N 1 2 330.407 2.054 20 30 EEEDLO C=CCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H](C)COC ZINC000663557255 471425707 /nfs/dbraw/zinc/42/57/07/471425707.db2.gz PUFBFMBXKJTVME-HNNXBMFYSA-N 1 2 332.448 2.414 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663870157 471557872 /nfs/dbraw/zinc/55/78/72/471557872.db2.gz PLESFIAIJDOTGT-WMLDXEAASA-N 1 2 332.448 2.221 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663870157 471557878 /nfs/dbraw/zinc/55/78/78/471557878.db2.gz PLESFIAIJDOTGT-WMLDXEAASA-N 1 2 332.448 2.221 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1COCCO1 ZINC000661606444 471820832 /nfs/dbraw/zinc/82/08/32/471820832.db2.gz NKFRVTBOCQHLRD-CQSZACIVSA-N 1 2 336.457 2.250 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000661606444 471820834 /nfs/dbraw/zinc/82/08/34/471820834.db2.gz NKFRVTBOCQHLRD-CQSZACIVSA-N 1 2 336.457 2.250 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000662163039 472016364 /nfs/dbraw/zinc/01/63/64/472016364.db2.gz UICUTTOGWRNOJM-MLGOLLRUSA-N 1 2 326.387 2.401 20 30 EEEDLO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595634065 485607694 /nfs/dbraw/zinc/60/76/94/485607694.db2.gz VZDDDYHEGUJFOR-AWEZNQCLSA-N 1 2 332.473 2.143 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)C1=O ZINC000685003252 486062371 /nfs/dbraw/zinc/06/23/71/486062371.db2.gz RVEORBRWFNHLTO-GJZGRUSLSA-N 1 2 342.361 2.199 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)C1=O ZINC000685003252 486062374 /nfs/dbraw/zinc/06/23/74/486062374.db2.gz RVEORBRWFNHLTO-GJZGRUSLSA-N 1 2 342.361 2.199 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000672762059 486189319 /nfs/dbraw/zinc/18/93/19/486189319.db2.gz OHMQLXJNJVXJMQ-HNNXBMFYSA-N 1 2 342.443 2.162 20 30 EEEDLO COCC#CC[N@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000677477110 486439686 /nfs/dbraw/zinc/43/96/86/486439686.db2.gz QISZTLJKCNGBMC-UHFFFAOYSA-N 1 2 339.233 2.278 20 30 EEEDLO COCC#CC[N@@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000677477110 486439689 /nfs/dbraw/zinc/43/96/89/486439689.db2.gz QISZTLJKCNGBMC-UHFFFAOYSA-N 1 2 339.233 2.278 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C)on2)[C@@H]1CC ZINC001087729697 782142192 /nfs/dbraw/zinc/14/21/92/782142192.db2.gz RGCPWQVMLYFSAA-TWMKSMIVSA-N 1 2 333.432 2.043 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)on2)[C@@H]1CC ZINC001087729697 782142195 /nfs/dbraw/zinc/14/21/95/782142195.db2.gz RGCPWQVMLYFSAA-TWMKSMIVSA-N 1 2 333.432 2.043 20 30 EEEDLO C[C@@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)C(=O)NCC(F)(F)F ZINC000106067315 533869580 /nfs/dbraw/zinc/86/95/80/533869580.db2.gz JAOYBLQBBGMSFA-MRVPVSSYSA-N 1 2 337.729 2.238 20 30 EEEDLO NC(=O)[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000131887002 534424365 /nfs/dbraw/zinc/42/43/65/534424365.db2.gz AMYGIZUUOCIDFB-AWEZNQCLSA-N 1 2 326.318 2.277 20 30 EEEDLO NC(=O)[C@@H]1CCCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000131887002 534424371 /nfs/dbraw/zinc/42/43/71/534424371.db2.gz AMYGIZUUOCIDFB-AWEZNQCLSA-N 1 2 326.318 2.277 20 30 EEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000171706085 526633798 /nfs/dbraw/zinc/63/37/98/526633798.db2.gz AFQYQCCAUHIREZ-HOTGVXAUSA-N 1 2 331.460 2.065 20 30 EEEDLO C=CC[C@@H](C)NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000116950438 527026238 /nfs/dbraw/zinc/02/62/38/527026238.db2.gz PLAMZTJNLVXOME-MRXNPFEDSA-N 1 2 347.459 2.161 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)c1 ZINC000191950901 527450912 /nfs/dbraw/zinc/45/09/12/527450912.db2.gz ASICKVRAOVBRTK-INIZCTEOSA-N 1 2 326.396 2.024 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)c1 ZINC000191950901 527450919 /nfs/dbraw/zinc/45/09/19/527450919.db2.gz ASICKVRAOVBRTK-INIZCTEOSA-N 1 2 326.396 2.024 20 30 EEEDLO CC[N@@H+](CC(=O)N[C@H](C)c1cc(OC)ccc1OC)C[C@H](C)C#N ZINC000353282651 527916275 /nfs/dbraw/zinc/91/62/75/527916275.db2.gz LATAMLFHQCORNC-ZIAGYGMSSA-N 1 2 333.432 2.363 20 30 EEEDLO CC[N@H+](CC(=O)N[C@H](C)c1cc(OC)ccc1OC)C[C@H](C)C#N ZINC000353282651 527916283 /nfs/dbraw/zinc/91/62/83/527916283.db2.gz LATAMLFHQCORNC-ZIAGYGMSSA-N 1 2 333.432 2.363 20 30 EEEDLO C=CC[N@H+](CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)C(C)C ZINC000725769979 576019793 /nfs/dbraw/zinc/01/97/93/576019793.db2.gz ODLQEKCWYXBHQT-SFHVURJKSA-N 1 2 326.400 2.179 20 30 EEEDLO C=CC[N@@H+](CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)C(C)C ZINC000725769979 576019796 /nfs/dbraw/zinc/01/97/96/576019796.db2.gz ODLQEKCWYXBHQT-SFHVURJKSA-N 1 2 326.400 2.179 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)cn1 ZINC000728806132 576531715 /nfs/dbraw/zinc/53/17/15/576531715.db2.gz PUSAVJBZFFSGGB-FQEVSTJZSA-N 1 2 349.434 2.175 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cn1 ZINC000728857644 576544743 /nfs/dbraw/zinc/54/47/43/576544743.db2.gz QNDDSHYLXXRQTI-UHFFFAOYSA-N 1 2 349.438 2.247 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(OCC)cc3)CC2)nc1 ZINC000728857770 576544751 /nfs/dbraw/zinc/54/47/51/576544751.db2.gz VTRZQMFELPHUAJ-UHFFFAOYSA-N 1 2 349.434 2.420 20 30 EEEDLO C=CC[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000775659171 577441992 /nfs/dbraw/zinc/44/19/92/577441992.db2.gz DVGZMYORNKCUAK-GFCCVEGCSA-N 1 2 333.812 2.360 20 30 EEEDLO C=CC[N@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000775659171 577441993 /nfs/dbraw/zinc/44/19/93/577441993.db2.gz DVGZMYORNKCUAK-GFCCVEGCSA-N 1 2 333.812 2.360 20 30 EEEDLO Cc1cc[nH+]cc1CCC=NNC(=S)NCCc1ccccn1 ZINC000776728992 577466579 /nfs/dbraw/zinc/46/65/79/577466579.db2.gz GOSQJNZTFSXOOY-UHFFFAOYSA-N 1 2 327.457 2.410 20 30 EEEDLO COc1cccc(S(C)(=O)=O)c1N=NCc1cccc2[nH+]ccn21 ZINC000767393742 577536036 /nfs/dbraw/zinc/53/60/36/577536036.db2.gz JKSQOEDRFQTONN-UHFFFAOYSA-N 1 2 344.396 2.192 20 30 EEEDLO COC(=O)c1ccc(N=NC2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000758140240 577616928 /nfs/dbraw/zinc/61/69/28/577616928.db2.gz PDAUHPVTSDLYCU-UHFFFAOYSA-N 1 2 325.372 2.332 20 30 EEEDLO N#Cc1cccn(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1=O ZINC000758177698 577617624 /nfs/dbraw/zinc/61/76/24/577617624.db2.gz IALRKHCLDVCGGR-UHFFFAOYSA-N 1 2 336.395 2.028 20 30 EEEDLO C=CC[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000759849428 577651947 /nfs/dbraw/zinc/65/19/47/577651947.db2.gz FKTFAOIANGYEMO-DOMZBBRYSA-N 1 2 347.839 2.188 20 30 EEEDLO C=CC[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000759849428 577651948 /nfs/dbraw/zinc/65/19/48/577651948.db2.gz FKTFAOIANGYEMO-DOMZBBRYSA-N 1 2 347.839 2.188 20 30 EEEDLO COc1ccc(C(N)=[NH+]O[C@@H]2CCCN(CC(C)(C)C)C2=O)cc1 ZINC000763426838 577721045 /nfs/dbraw/zinc/72/10/45/577721045.db2.gz OATVONJTRWKNMC-OAHLLOKOSA-N 1 2 333.432 2.369 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NCCn2cc[nH+]c2C(C)C)cc1C#N ZINC000744407880 577897368 /nfs/dbraw/zinc/89/73/68/577897368.db2.gz JORJVMLWOTXSLT-UHFFFAOYSA-N 1 2 345.428 2.131 20 30 EEEDLO CCC(=O)N1CCC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000748064034 577954394 /nfs/dbraw/zinc/95/43/94/577954394.db2.gz UQHQSJOHXOUHKR-UHFFFAOYSA-N 1 2 337.427 2.324 20 30 EEEDLO CCC(=O)N1CCC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000748064034 577954395 /nfs/dbraw/zinc/95/43/95/577954395.db2.gz UQHQSJOHXOUHKR-UHFFFAOYSA-N 1 2 337.427 2.324 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)OCC(C)C)CC1 ZINC000749251228 577973559 /nfs/dbraw/zinc/97/35/59/577973559.db2.gz XMVCJAFHRMCQBF-INIZCTEOSA-N 1 2 339.480 2.210 20 30 EEEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000739913829 578073087 /nfs/dbraw/zinc/07/30/87/578073087.db2.gz BFZKKGDMENBXTP-UHFFFAOYSA-N 1 2 339.461 2.436 20 30 EEEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000739913829 578073088 /nfs/dbraw/zinc/07/30/88/578073088.db2.gz BFZKKGDMENBXTP-UHFFFAOYSA-N 1 2 339.461 2.436 20 30 EEEDLO CC(C)CN(CCC#N)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000739914342 578073120 /nfs/dbraw/zinc/07/31/20/578073120.db2.gz IXHQQIDCFIXGKR-UHFFFAOYSA-N 1 2 348.516 2.264 20 30 EEEDLO COC[C@@H]1CC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000739923324 578073575 /nfs/dbraw/zinc/07/35/75/578073575.db2.gz VRZUKJYIHSEUMI-CHWSQXEVSA-N 1 2 329.425 2.441 20 30 EEEDLO COC[C@@H]1CC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000739923324 578073576 /nfs/dbraw/zinc/07/35/76/578073576.db2.gz VRZUKJYIHSEUMI-CHWSQXEVSA-N 1 2 329.425 2.441 20 30 EEEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)C3(C#N)CCCCC3)CC2)S1 ZINC000740714298 578105543 /nfs/dbraw/zinc/10/55/43/578105543.db2.gz SYHHWYRNOYPYMR-UHFFFAOYSA-N 1 2 334.489 2.486 20 30 EEEDLO Cc1nc(N(C)C)sc1C=[NH+]Nc1cccc(-c2nn[nH]n2)c1 ZINC000826326705 607885322 /nfs/dbraw/zinc/88/53/22/607885322.db2.gz AKCAOOZBAQQWME-UHFFFAOYSA-N 1 2 328.405 2.144 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1)C1CC1 ZINC000823904284 608267016 /nfs/dbraw/zinc/26/70/16/608267016.db2.gz ZOLYOPAIJRBBER-UHFFFAOYSA-N 1 2 332.433 2.134 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1)C1CC1 ZINC000823904284 608267017 /nfs/dbraw/zinc/26/70/17/608267017.db2.gz ZOLYOPAIJRBBER-UHFFFAOYSA-N 1 2 332.433 2.134 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3C#N)C2)c1C ZINC000969421536 674984542 /nfs/dbraw/zinc/98/45/42/674984542.db2.gz XTJZFJHMCPCDGR-AWEZNQCLSA-N 1 2 337.427 2.149 20 30 EEEDLO C[C@H](NC(=O)[C@H]1CC1(F)F)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969634570 675134707 /nfs/dbraw/zinc/13/47/07/675134707.db2.gz WHAPUGWUYBEWGL-IINYFYTJSA-N 1 2 337.345 2.289 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2sc(N(C)C)nc2C)C1 ZINC000970531521 675964632 /nfs/dbraw/zinc/96/46/32/675964632.db2.gz IBTOYJINSRDTGZ-JTQLQIEISA-N 1 2 342.896 2.320 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000970590296 676007729 /nfs/dbraw/zinc/00/77/29/676007729.db2.gz SLETWLCSDJVAAP-ZDUSSCGKSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnn3c2C[C@H](C)CC3)C1 ZINC000970814463 676170369 /nfs/dbraw/zinc/17/03/69/676170369.db2.gz AQPVDUUQHDHSCC-DGCLKSJQSA-N 1 2 336.867 2.268 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC000969824172 675232346 /nfs/dbraw/zinc/23/23/46/675232346.db2.gz CHELSXDBUBZXHB-LBPRGKRZSA-N 1 2 347.850 2.218 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnn(-c3cccnc3)c2)C1 ZINC000969822418 675233743 /nfs/dbraw/zinc/23/37/43/675233743.db2.gz XGMXDPUNNBDOMS-ZDUSSCGKSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccc3[nH]c(=O)[nH]c32)C1 ZINC000969850831 675252581 /nfs/dbraw/zinc/25/25/81/675252581.db2.gz DCLRDZWTZGKNBN-SNVBAGLBSA-N 1 2 334.807 2.071 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)C2C[NH+](Cc3cc(OC)no3)C2)CC1 ZINC000970376835 675827564 /nfs/dbraw/zinc/82/75/64/675827564.db2.gz NUHJODOFRIOCDG-ZDUSSCGKSA-N 1 2 333.432 2.366 20 30 EEEDLO C=C1CCC(C(=O)N[C@H](C)C2C[NH+](CC(=O)NC3CCCC3)C2)CC1 ZINC000970375637 675830563 /nfs/dbraw/zinc/83/05/63/675830563.db2.gz GUUREVSBVPDXDB-OAHLLOKOSA-N 1 2 347.503 2.228 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC000970997256 676304175 /nfs/dbraw/zinc/30/41/75/676304175.db2.gz RJEQPIHELYVXIZ-NSHDSACASA-N 1 2 348.834 2.082 20 30 EEEDLO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001067568805 676318975 /nfs/dbraw/zinc/31/89/75/676318975.db2.gz UDZFCEOUMDJXRR-HNNXBMFYSA-N 1 2 346.475 2.493 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C)n2C)C1 ZINC000971048469 676340127 /nfs/dbraw/zinc/34/01/27/676340127.db2.gz KUSGHOYAJIWOLW-ZDUSSCGKSA-N 1 2 340.265 2.388 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C)n2C)C1 ZINC000971048469 676340128 /nfs/dbraw/zinc/34/01/28/676340128.db2.gz KUSGHOYAJIWOLW-ZDUSSCGKSA-N 1 2 340.265 2.388 20 30 EEEDLO CC(C)n1ccc(C[N@H+](C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000971376973 676509111 /nfs/dbraw/zinc/50/91/11/676509111.db2.gz RHJLBFDJERMARQ-KRWDZBQOSA-N 1 2 340.431 2.010 20 30 EEEDLO CC(C)n1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000971376973 676509112 /nfs/dbraw/zinc/50/91/12/676509112.db2.gz RHJLBFDJERMARQ-KRWDZBQOSA-N 1 2 340.431 2.010 20 30 EEEDLO C[C@@H]1Cc2cc(CN(CCC#N)CC[NH+]3CCOCC3)ccc2O1 ZINC000891395294 676556507 /nfs/dbraw/zinc/55/65/07/676556507.db2.gz XPFOHYPDUUEQCC-MRXNPFEDSA-N 1 2 329.444 2.058 20 30 EEEDLO CC(C)c1noc([C@@H](C)[N@H+](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC000971504841 676603439 /nfs/dbraw/zinc/60/34/39/676603439.db2.gz OSHWPOSBLXHQBD-UKRRQHHQSA-N 1 2 330.432 2.200 20 30 EEEDLO CC(C)c1noc([C@@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC000971504841 676603440 /nfs/dbraw/zinc/60/34/40/676603440.db2.gz OSHWPOSBLXHQBD-UKRRQHHQSA-N 1 2 330.432 2.200 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(C)C)nc3)C2)C1 ZINC000972410131 678700731 /nfs/dbraw/zinc/70/07/31/678700731.db2.gz RYAIBGWNZFIVSB-LJQANCHMSA-N 1 2 329.444 2.308 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(C)C)nc3)C2)C1 ZINC000972410131 678700736 /nfs/dbraw/zinc/70/07/36/678700736.db2.gz RYAIBGWNZFIVSB-LJQANCHMSA-N 1 2 329.444 2.308 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)cc(OC)c3C)C2)C1 ZINC000972452933 678770772 /nfs/dbraw/zinc/77/07/72/678770772.db2.gz GKDAPHKPTYPXJR-FQEVSTJZSA-N 1 2 344.455 2.415 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)cc(OC)c3C)C2)C1 ZINC000972452933 678770776 /nfs/dbraw/zinc/77/07/76/678770776.db2.gz GKDAPHKPTYPXJR-FQEVSTJZSA-N 1 2 344.455 2.415 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)C[N@H+](Cc1cccnc1)CCO2 ZINC000972504944 679100157 /nfs/dbraw/zinc/10/01/57/679100157.db2.gz RPYRBVVWDXLTOR-LJQANCHMSA-N 1 2 329.444 2.097 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000972504944 679100160 /nfs/dbraw/zinc/10/01/60/679100160.db2.gz RPYRBVVWDXLTOR-LJQANCHMSA-N 1 2 329.444 2.097 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc4[nH]ccc43)C2)C1 ZINC000972563034 679296484 /nfs/dbraw/zinc/29/64/84/679296484.db2.gz JYSBHEIHJYXKOY-LJQANCHMSA-N 1 2 325.412 2.271 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc4[nH]ccc43)C2)C1 ZINC000972563034 679296486 /nfs/dbraw/zinc/29/64/86/679296486.db2.gz JYSBHEIHJYXKOY-LJQANCHMSA-N 1 2 325.412 2.271 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4ccccc4n3)C2)C1 ZINC000972651937 679512171 /nfs/dbraw/zinc/51/21/71/679512171.db2.gz ZHTOHILUPSXJNS-FQEVSTJZSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4ccccc4n3)C2)C1 ZINC000972651937 679512173 /nfs/dbraw/zinc/51/21/73/679512173.db2.gz ZHTOHILUPSXJNS-FQEVSTJZSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)COc3ccc(CC)cc3)C2)C1 ZINC000972658799 679522477 /nfs/dbraw/zinc/52/24/77/679522477.db2.gz HHQINJZYCRVBKZ-HXUWFJFHSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)COc3ccc(CC)cc3)C2)C1 ZINC000972658799 679522479 /nfs/dbraw/zinc/52/24/79/679522479.db2.gz HHQINJZYCRVBKZ-HXUWFJFHSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)COc3cccc(CC)c3)C2)C1 ZINC000972664599 679537073 /nfs/dbraw/zinc/53/70/73/679537073.db2.gz PXBHQPPBWOSFSE-HXUWFJFHSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)COc3cccc(CC)c3)C2)C1 ZINC000972664599 679537074 /nfs/dbraw/zinc/53/70/74/679537074.db2.gz PXBHQPPBWOSFSE-HXUWFJFHSA-N 1 2 344.455 2.117 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3sccc3CC)C2)C1 ZINC000972688870 679605917 /nfs/dbraw/zinc/60/59/17/679605917.db2.gz RVTZKMNUTPKJGE-SFHVURJKSA-N 1 2 332.469 2.251 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3sccc3CC)C2)C1 ZINC000972688870 679605919 /nfs/dbraw/zinc/60/59/19/679605919.db2.gz RVTZKMNUTPKJGE-SFHVURJKSA-N 1 2 332.469 2.251 20 30 EEEDLO C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]c2ccccc2c1=O ZINC001024527821 680042303 /nfs/dbraw/zinc/04/23/03/680042303.db2.gz AORPHWNGEOYSMG-OAHLLOKOSA-N 1 2 337.423 2.136 20 30 EEEDLO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]c2ccccc2c1=O ZINC001024527821 680042309 /nfs/dbraw/zinc/04/23/09/680042309.db2.gz AORPHWNGEOYSMG-OAHLLOKOSA-N 1 2 337.423 2.136 20 30 EEEDLO Cc1nnccc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024532376 680052399 /nfs/dbraw/zinc/05/23/99/680052399.db2.gz FRVSQPBROQLQGL-SFHVURJKSA-N 1 2 349.438 2.441 20 30 EEEDLO Cc1nnccc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024532376 680052405 /nfs/dbraw/zinc/05/24/05/680052405.db2.gz FRVSQPBROQLQGL-SFHVURJKSA-N 1 2 349.438 2.441 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnn(CCF)c2)C(C)(C)C1 ZINC000974746713 685371062 /nfs/dbraw/zinc/37/10/62/685371062.db2.gz PSOITYCMCWWIEQ-CYBMUJFWSA-N 1 2 328.819 2.045 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnn(CCF)c2)C(C)(C)C1 ZINC000974746713 685371069 /nfs/dbraw/zinc/37/10/69/685371069.db2.gz PSOITYCMCWWIEQ-CYBMUJFWSA-N 1 2 328.819 2.045 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H]2C[C@]2(C)Br)n1 ZINC000894109034 681287296 /nfs/dbraw/zinc/28/72/96/681287296.db2.gz FFGNWHAPHCOKJM-HIFRSBDPSA-N 1 2 340.265 2.138 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H]2C[C@]2(C)Br)n1 ZINC000894109034 681287299 /nfs/dbraw/zinc/28/72/99/681287299.db2.gz FFGNWHAPHCOKJM-HIFRSBDPSA-N 1 2 340.265 2.138 20 30 EEEDLO C#CCOc1ncccc1C(=O)NC[C@H]1CCCC[N@H+]1CC(=C)Cl ZINC001024765095 681425733 /nfs/dbraw/zinc/42/57/33/681425733.db2.gz BBHVBBSTEVCYIV-OAHLLOKOSA-N 1 2 347.846 2.430 20 30 EEEDLO C#CCOc1ncccc1C(=O)NC[C@H]1CCCC[N@@H+]1CC(=C)Cl ZINC001024765095 681425737 /nfs/dbraw/zinc/42/57/37/681425737.db2.gz BBHVBBSTEVCYIV-OAHLLOKOSA-N 1 2 347.846 2.430 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C(=O)NC)c1 ZINC001024806771 681459905 /nfs/dbraw/zinc/45/99/05/681459905.db2.gz MASGFJZBFHVRRI-MRXNPFEDSA-N 1 2 349.862 2.383 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C(=O)NC)c1 ZINC001024806771 681459908 /nfs/dbraw/zinc/45/99/08/681459908.db2.gz MASGFJZBFHVRRI-MRXNPFEDSA-N 1 2 349.862 2.383 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nc(C)no2)cc1 ZINC001025038466 681800852 /nfs/dbraw/zinc/80/08/52/681800852.db2.gz YEMRJVDMZJFMJF-QGZVFWFLSA-N 1 2 338.411 2.144 20 30 EEEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)Cc2cccc(C#N)c2)c1C ZINC000108399543 682361641 /nfs/dbraw/zinc/36/16/41/682361641.db2.gz VGLKVGFIBMOTNR-UHFFFAOYSA-N 1 2 345.424 2.198 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH2+]Cc3nc(C(F)F)no3)C2)C1 ZINC001019353287 682891023 /nfs/dbraw/zinc/89/10/23/682891023.db2.gz BIMKQGYLHAKCJQ-JTQLQIEISA-N 1 2 326.347 2.054 20 30 EEEDLO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)C(=O)OC(C)(C)C ZINC000892859410 683147358 /nfs/dbraw/zinc/14/73/58/683147358.db2.gz GUGYPFBZVBWRNC-CYBMUJFWSA-N 1 2 330.432 2.242 20 30 EEEDLO C=CCCC1(C(=O)NCC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001060462397 683295403 /nfs/dbraw/zinc/29/54/03/683295403.db2.gz BMDWXZIQXPWNCA-OAHLLOKOSA-N 1 2 344.459 2.053 20 30 EEEDLO O=C(c1ccccn1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029188261 683404321 /nfs/dbraw/zinc/40/43/21/683404321.db2.gz FFIZOZPBFYWCMS-KDURUIRLSA-N 1 2 331.419 2.422 20 30 EEEDLO O=C(c1ccccn1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029188261 683404324 /nfs/dbraw/zinc/40/43/24/683404324.db2.gz FFIZOZPBFYWCMS-KDURUIRLSA-N 1 2 331.419 2.422 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)on1 ZINC001029210164 683541700 /nfs/dbraw/zinc/54/17/00/683541700.db2.gz WJXQOJKXRDYWJX-CALCHBBNSA-N 1 2 336.395 2.344 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)on1 ZINC001029210164 683541704 /nfs/dbraw/zinc/54/17/04/683541704.db2.gz WJXQOJKXRDYWJX-CALCHBBNSA-N 1 2 336.395 2.344 20 30 EEEDLO C[C@H]1[C@H](NC(=O)C(F)F)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000992943579 683673603 /nfs/dbraw/zinc/67/36/03/683673603.db2.gz GUJBVRZUNMIZQY-IINYFYTJSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@H]1[C@H](NC(=O)C(F)F)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000992943579 683673604 /nfs/dbraw/zinc/67/36/04/683673604.db2.gz GUJBVRZUNMIZQY-IINYFYTJSA-N 1 2 325.334 2.432 20 30 EEEDLO Cc1[nH]nc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)c1C ZINC001029249350 683689025 /nfs/dbraw/zinc/68/90/25/683689025.db2.gz OGWVAPCMHNUWHL-KDURUIRLSA-N 1 2 348.450 2.367 20 30 EEEDLO Cc1[nH]nc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)c1C ZINC001029249350 683689028 /nfs/dbraw/zinc/68/90/28/683689028.db2.gz OGWVAPCMHNUWHL-KDURUIRLSA-N 1 2 348.450 2.367 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](F)C1 ZINC001025978577 683703408 /nfs/dbraw/zinc/70/34/08/683703408.db2.gz ORMTXHRZFQJTHS-FHUSYTEZSA-N 1 2 331.229 2.080 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](F)C1 ZINC001025978577 683703412 /nfs/dbraw/zinc/70/34/12/683703412.db2.gz ORMTXHRZFQJTHS-FHUSYTEZSA-N 1 2 331.229 2.080 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cnn(C)c2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993023995 683762038 /nfs/dbraw/zinc/76/20/38/683762038.db2.gz OOLWFVOCAYEOIE-RDTXWAMCSA-N 1 2 337.427 2.075 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cnn(C)c2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993023995 683762041 /nfs/dbraw/zinc/76/20/41/683762041.db2.gz OOLWFVOCAYEOIE-RDTXWAMCSA-N 1 2 337.427 2.075 20 30 EEEDLO O=C([C@H]1CCCCO1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029273795 683776625 /nfs/dbraw/zinc/77/66/25/683776625.db2.gz JKNFUESZWWSKMR-HSALFYBXSA-N 1 2 338.451 2.282 20 30 EEEDLO O=C([C@H]1CCCCO1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029273795 683776632 /nfs/dbraw/zinc/77/66/32/683776632.db2.gz JKNFUESZWWSKMR-HSALFYBXSA-N 1 2 338.451 2.282 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ccon2)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000993093837 683913078 /nfs/dbraw/zinc/91/30/78/683913078.db2.gz NIHRPJFVDJJKRW-LRDDRELGSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ccon2)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000993093837 683913082 /nfs/dbraw/zinc/91/30/82/683913082.db2.gz NIHRPJFVDJJKRW-LRDDRELGSA-N 1 2 342.374 2.468 20 30 EEEDLO C=CCC1(O)CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000899592785 693803040 /nfs/dbraw/zinc/80/30/40/693803040.db2.gz AVFLUCRXXFNBPZ-UHFFFAOYSA-N 1 2 339.439 2.404 20 30 EEEDLO O=C1[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCN1O ZINC000895158410 684148157 /nfs/dbraw/zinc/14/81/57/684148157.db2.gz ZVUCEBOCVPKSIA-SNVBAGLBSA-N 1 2 333.266 2.083 20 30 EEEDLO CC(C)S(=O)(=O)CCCO[NH+]=C(N)Cc1ccccc1Cl ZINC000122981931 684465878 /nfs/dbraw/zinc/46/58/78/684465878.db2.gz CVSRCZDOQRIMSF-UHFFFAOYSA-N 1 2 332.853 2.385 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000974289649 684577386 /nfs/dbraw/zinc/57/73/86/684577386.db2.gz BONFPAPBMDJGIX-OKILXGFUSA-N 1 2 338.411 2.296 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NCc2nc3ccccn3c2Br)C1 ZINC000895748925 684707363 /nfs/dbraw/zinc/70/73/63/684707363.db2.gz SSWUVBMKMKMDHF-CYBMUJFWSA-N 1 2 347.260 2.284 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NCc2nc3ccccn3c2Br)C1 ZINC000895748925 684707366 /nfs/dbraw/zinc/70/73/66/684707366.db2.gz SSWUVBMKMKMDHF-CYBMUJFWSA-N 1 2 347.260 2.284 20 30 EEEDLO CC[C@H](C[NH+]1CCOCC1)Nc1c(C#N)cnn1-c1ccccc1 ZINC000895800382 684730310 /nfs/dbraw/zinc/73/03/10/684730310.db2.gz BPQSULNPYYJVEH-MRXNPFEDSA-N 1 2 325.416 2.267 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1n[nH]cc1F ZINC000975006750 686039938 /nfs/dbraw/zinc/03/99/38/686039938.db2.gz CSEKLZLYDILOLL-OAHLLOKOSA-N 1 2 341.390 2.061 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1n[nH]cc1F ZINC000975006750 686039947 /nfs/dbraw/zinc/03/99/47/686039947.db2.gz CSEKLZLYDILOLL-OAHLLOKOSA-N 1 2 341.390 2.061 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OC)nn3)CC2(C)C)C1 ZINC000975009803 686043551 /nfs/dbraw/zinc/04/35/51/686043551.db2.gz BSZZHELLTCLFCR-OAHLLOKOSA-N 1 2 344.459 2.168 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccc(OC)nn3)CC2(C)C)C1 ZINC000975009803 686043555 /nfs/dbraw/zinc/04/35/55/686043555.db2.gz BSZZHELLTCLFCR-OAHLLOKOSA-N 1 2 344.459 2.168 20 30 EEEDLO Cc1cc(C)c(C(=O)NC[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)c(C)[nH+]1 ZINC000975450974 686586876 /nfs/dbraw/zinc/58/68/76/686586876.db2.gz MUKROSWEQIRPOA-BBRMVZONSA-N 1 2 342.443 2.135 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC([N@H+](C)Cc2nnnn2C(C)C)CC1 ZINC000985618195 687321483 /nfs/dbraw/zinc/32/14/83/687321483.db2.gz HEVUCNXZOOLDIR-SFHVURJKSA-N 1 2 348.495 2.279 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC([N@@H+](C)Cc2nnnn2C(C)C)CC1 ZINC000985618195 687321488 /nfs/dbraw/zinc/32/14/88/687321488.db2.gz HEVUCNXZOOLDIR-SFHVURJKSA-N 1 2 348.495 2.279 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@H]([N@@H+](C)Cc2nccn2C)C1 ZINC001027441274 688158983 /nfs/dbraw/zinc/15/89/83/688158983.db2.gz CIRZNXJNBINZHH-INIZCTEOSA-N 1 2 341.459 2.144 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@H]([N@H+](C)Cc2nccn2C)C1 ZINC001027441274 688158987 /nfs/dbraw/zinc/15/89/87/688158987.db2.gz CIRZNXJNBINZHH-INIZCTEOSA-N 1 2 341.459 2.144 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001060175883 694248734 /nfs/dbraw/zinc/24/87/34/694248734.db2.gz RLTZZSXLMZRAOK-DLBZAZTESA-N 1 2 346.475 2.230 20 30 EEEDLO Cc1nnsc1C(=O)NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC001027746855 694288005 /nfs/dbraw/zinc/28/80/05/694288005.db2.gz FEOSNGMACBPZTA-MRXNPFEDSA-N 1 2 340.452 2.092 20 30 EEEDLO Cc1nnsc1C(=O)NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC001027746855 694288009 /nfs/dbraw/zinc/28/80/09/694288009.db2.gz FEOSNGMACBPZTA-MRXNPFEDSA-N 1 2 340.452 2.092 20 30 EEEDLO Cc1ncc(C(=O)N2C[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C[C@H]2C)[nH]1 ZINC000988371086 690563759 /nfs/dbraw/zinc/56/37/59/690563759.db2.gz VVOAAGPSYUTHHZ-BZNIZROVSA-N 1 2 341.390 2.122 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccnc(Cl)c3)C2)c1 ZINC001007057316 691630257 /nfs/dbraw/zinc/63/02/57/691630257.db2.gz NAVMYJDDELJDED-CQSZACIVSA-N 1 2 343.818 2.329 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccnc(Cl)c3)C2)c1 ZINC001007057316 691630258 /nfs/dbraw/zinc/63/02/58/691630258.db2.gz NAVMYJDDELJDED-CQSZACIVSA-N 1 2 343.818 2.329 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2csc3nccn23)CC1 ZINC000989674811 692149658 /nfs/dbraw/zinc/14/96/58/692149658.db2.gz JPUGNRDGAUESGF-UHFFFAOYSA-N 1 2 338.864 2.225 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2csc3nccn23)CC1 ZINC000989674811 692149661 /nfs/dbraw/zinc/14/96/61/692149661.db2.gz JPUGNRDGAUESGF-UHFFFAOYSA-N 1 2 338.864 2.225 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@H](C)O1 ZINC000024678558 692200795 /nfs/dbraw/zinc/20/07/95/692200795.db2.gz XNZGKRSJQMEOCT-VNHYZAJKSA-N 1 2 336.395 2.333 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@H](C)O1 ZINC000024678558 692200797 /nfs/dbraw/zinc/20/07/97/692200797.db2.gz XNZGKRSJQMEOCT-VNHYZAJKSA-N 1 2 336.395 2.333 20 30 EEEDLO Cc1conc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)CC1(C)C ZINC000977427009 692619125 /nfs/dbraw/zinc/61/91/25/692619125.db2.gz SEXPBVRCUKAZBS-MRXNPFEDSA-N 1 2 338.411 2.495 20 30 EEEDLO Cc1conc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC1(C)C ZINC000977427009 692619126 /nfs/dbraw/zinc/61/91/26/692619126.db2.gz SEXPBVRCUKAZBS-MRXNPFEDSA-N 1 2 338.411 2.495 20 30 EEEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2ccc(P(C)(C)=O)cc2)C(C)(C)C1 ZINC000977629207 692836976 /nfs/dbraw/zinc/83/69/76/692836976.db2.gz NRIUSJJIGOCNNJ-INIZCTEOSA-N 1 2 332.384 2.008 20 30 EEEDLO C#CC[N@H+]1C[C@H](NC(=O)c2ccc(P(C)(C)=O)cc2)C(C)(C)C1 ZINC000977629207 692836979 /nfs/dbraw/zinc/83/69/79/692836979.db2.gz NRIUSJJIGOCNNJ-INIZCTEOSA-N 1 2 332.384 2.008 20 30 EEEDLO C=CC[N@@H+]1C[C@H](NC(=O)c2n[nH]nc2-c2ccccc2)C(C)(C)C1 ZINC000977625274 692862296 /nfs/dbraw/zinc/86/22/96/692862296.db2.gz CIMVMRYOJNGEHU-AWEZNQCLSA-N 1 2 325.416 2.098 20 30 EEEDLO C=CC[N@H+]1C[C@H](NC(=O)c2n[nH]nc2-c2ccccc2)C(C)(C)C1 ZINC000977625274 692862302 /nfs/dbraw/zinc/86/23/02/692862302.db2.gz CIMVMRYOJNGEHU-AWEZNQCLSA-N 1 2 325.416 2.098 20 30 EEEDLO C[C@H]1C[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)CCO1 ZINC001032076736 1192226439 /nfs/dbraw/zinc/22/64/39/1192226439.db2.gz FTXBJBJHLWCMOM-XJKSGUPXSA-N 1 2 345.418 2.060 20 30 EEEDLO C=C1CCC(C(=O)N2CCCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC000943571342 1192361518 /nfs/dbraw/zinc/36/15/18/1192361518.db2.gz LSUXRUDZUYINIY-MRXNPFEDSA-N 1 2 344.459 2.196 20 30 EEEDLO CCN(CC[NH2+]Cc1ccccc1C#N)C(=O)C(F)C(F)(F)F ZINC001754046314 1177008888 /nfs/dbraw/zinc/00/88/88/1177008888.db2.gz WWUYWOHGDZRRKL-CYBMUJFWSA-N 1 2 331.313 2.397 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000944402692 1193062224 /nfs/dbraw/zinc/06/22/24/1193062224.db2.gz TXEIJSSUJRMFPS-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO C=CC[C@@H](C)C(=O)N1CCC[C@]2(C1)C[N@H+](Cc1ccc[nH]1)CCO2 ZINC001268967900 1183866765 /nfs/dbraw/zinc/86/67/65/1183866765.db2.gz GHYPMHMHNDWXCR-VQIMIIECSA-N 1 2 331.460 2.420 20 30 EEEDLO C=CC[C@@H](C)C(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1ccc[nH]1)CCO2 ZINC001268967900 1183866768 /nfs/dbraw/zinc/86/67/68/1183866768.db2.gz GHYPMHMHNDWXCR-VQIMIIECSA-N 1 2 331.460 2.420 20 30 EEEDLO CCN(C(=O)CSCC#N)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001126791323 1188280460 /nfs/dbraw/zinc/28/04/60/1188280460.db2.gz MZVICCOIVIOFBF-OAHLLOKOSA-N 1 2 347.488 2.249 20 30 EEEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ncc(F)cc1F)CC2 ZINC001272819349 1193561172 /nfs/dbraw/zinc/56/11/72/1193561172.db2.gz WDFDZVRLPBHFLT-AWEZNQCLSA-N 1 2 348.397 2.382 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCC[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001105677618 1188585804 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1197944462 /nfs/dbraw/zinc/94/44/62/1197944462.db2.gz QNDWKQDPDIDLAV-QDEZUTFSSA-N 1 2 335.473 2.061 20 30 EEEDLO FC(F)(F)CON=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872357477 1198155572 /nfs/dbraw/zinc/15/55/72/1198155572.db2.gz FEGMRSHCHIWFNB-UHFFFAOYSA-N 1 2 332.322 2.310 20 30 EEEDLO C=CCN1C(=O)COCC12C[NH+](Cc1[nH]c3ccccc3c1C)C2 ZINC001273327423 1198188404 /nfs/dbraw/zinc/18/84/04/1198188404.db2.gz WFJVRDSESJCYES-UHFFFAOYSA-N 1 2 325.412 2.076 20 30 EEEDLO N#CCCCN1C(=O)COCC12C[NH+](Cc1ccc(C(F)F)cc1)C2 ZINC001273426667 1198802761 /nfs/dbraw/zinc/80/27/61/1198802761.db2.gz WBXVAKLJJMVOOF-UHFFFAOYSA-N 1 2 349.381 2.341 20 30 EEEDLO CCCCCCCNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000875121269 1199143035 /nfs/dbraw/zinc/14/30/35/1199143035.db2.gz SVCVYYCOJHFEDV-UHFFFAOYSA-N 1 2 331.460 2.205 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCc2cc(OC)no2)CC[C@@H]1C ZINC001132065813 1199278080 /nfs/dbraw/zinc/27/80/80/1199278080.db2.gz YJJQCDOTGRPNOO-STQMWFEESA-N 1 2 341.839 2.337 20 30 EEEDLO 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ZINC001015673965 1225536237 /nfs/dbraw/zinc/53/62/37/1225536237.db2.gz SDUILOWYIAWJTQ-KRWDZBQOSA-N 1 2 341.455 2.480 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)Nc3ccc(C)cc3)C2)C1 ZINC001015673965 1225536241 /nfs/dbraw/zinc/53/62/41/1225536241.db2.gz SDUILOWYIAWJTQ-KRWDZBQOSA-N 1 2 341.455 2.480 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(F)ccc3F)C2)c1 ZINC001015678401 1225540906 /nfs/dbraw/zinc/54/09/06/1225540906.db2.gz GZNLZKLMAVEUSX-QGZVFWFLSA-N 1 2 341.361 2.345 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(F)ccc3F)C2)c1 ZINC001015678401 1225540911 /nfs/dbraw/zinc/54/09/11/1225540911.db2.gz GZNLZKLMAVEUSX-QGZVFWFLSA-N 1 2 341.361 2.345 20 30 EEEDLO C[C@@H]1CC(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C1 ZINC000795714341 1215004613 /nfs/dbraw/zinc/00/46/13/1215004613.db2.gz QOMWXEVSAPPKHG-CYBMUJFWSA-N 1 2 331.391 2.366 20 30 EEEDLO CC(F)(F)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114782892 1215284793 /nfs/dbraw/zinc/28/47/93/1215284793.db2.gz HTWIODFIHRZYCO-FOLVSLTJSA-N 1 2 337.345 2.289 20 30 EEEDLO CC(F)(F)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114782892 1215284797 /nfs/dbraw/zinc/28/47/97/1215284797.db2.gz HTWIODFIHRZYCO-FOLVSLTJSA-N 1 2 337.345 2.289 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N[C@H]1C[C@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001114806910 1215409159 /nfs/dbraw/zinc/40/91/59/1215409159.db2.gz HVXVHNXHKPJTMF-NEBZKDRISA-N 1 2 346.479 2.011 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2oc(C(F)F)cc2C)[C@H](O)C1 ZINC000958151209 1215588830 /nfs/dbraw/zinc/58/88/30/1215588830.db2.gz FXIWRMJOZZSBKM-GHMZBOCLSA-N 1 2 348.777 2.301 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2oc(C(F)F)cc2C)[C@H](O)C1 ZINC000958151209 1215588833 /nfs/dbraw/zinc/58/88/33/1215588833.db2.gz FXIWRMJOZZSBKM-GHMZBOCLSA-N 1 2 348.777 2.301 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2oc(C(F)F)cc2C)C1 ZINC000958151211 1215589089 /nfs/dbraw/zinc/58/90/89/1215589089.db2.gz FXIWRMJOZZSBKM-QWRGUYRKSA-N 1 2 348.777 2.301 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2oc(C(F)F)cc2C)C1 ZINC000958151211 1215589090 /nfs/dbraw/zinc/58/90/90/1215589090.db2.gz FXIWRMJOZZSBKM-QWRGUYRKSA-N 1 2 348.777 2.301 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cscn1 ZINC000958356398 1215678994 /nfs/dbraw/zinc/67/89/94/1215678994.db2.gz RUCZSHXYLWIIRP-FOLVSLTJSA-N 1 2 342.399 2.014 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cscn1 ZINC000958356398 1215678997 /nfs/dbraw/zinc/67/89/97/1215678997.db2.gz RUCZSHXYLWIIRP-FOLVSLTJSA-N 1 2 342.399 2.014 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nocc1C ZINC000960927174 1216977947 /nfs/dbraw/zinc/97/79/47/1216977947.db2.gz JKYQOKYXINGTGF-RYRKJORJSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nocc1C ZINC000960927174 1216977951 /nfs/dbraw/zinc/97/79/51/1216977951.db2.gz JKYQOKYXINGTGF-RYRKJORJSA-N 1 2 347.459 2.387 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]([C@H]3CCCN3CC#N)C2)c[nH+]1 ZINC000963326990 1217521715 /nfs/dbraw/zinc/52/17/15/1217521715.db2.gz ZYYZYKOJJUXSCT-IAGOWNOFSA-N 1 2 343.475 2.153 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)ccn1 ZINC001015875883 1225777255 /nfs/dbraw/zinc/77/72/55/1225777255.db2.gz ZLIAMHPNNSYJMG-QGZVFWFLSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)ccn1 ZINC001015875883 1225777259 /nfs/dbraw/zinc/77/72/59/1225777259.db2.gz ZLIAMHPNNSYJMG-QGZVFWFLSA-N 1 2 338.386 2.405 20 30 EEEDLO COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)o1 ZINC001015893056 1225796653 /nfs/dbraw/zinc/79/66/53/1225796653.db2.gz HQNVLZWFXSTWSD-NSHDSACASA-N 1 2 331.397 2.226 20 30 EEEDLO COc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)o1 ZINC001015893056 1225796654 /nfs/dbraw/zinc/79/66/54/1225796654.db2.gz HQNVLZWFXSTWSD-NSHDSACASA-N 1 2 331.397 2.226 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cnccn1 ZINC000964776471 1218613840 /nfs/dbraw/zinc/61/38/40/1218613840.db2.gz UOZDCQHPWBIJLP-BLLLJJGKSA-N 1 2 341.440 2.050 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cnccn1 ZINC000964776471 1218613842 /nfs/dbraw/zinc/61/38/42/1218613842.db2.gz UOZDCQHPWBIJLP-BLLLJJGKSA-N 1 2 341.440 2.050 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)c1cnsn1 ZINC000965216984 1218965150 /nfs/dbraw/zinc/96/51/50/1218965150.db2.gz IVOSINWKJNYTST-HZMBPMFUSA-N 1 2 347.469 2.112 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)c1cnsn1 ZINC000965216984 1218965155 /nfs/dbraw/zinc/96/51/55/1218965155.db2.gz IVOSINWKJNYTST-HZMBPMFUSA-N 1 2 347.469 2.112 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1ccon1 ZINC000965323722 1219023426 /nfs/dbraw/zinc/02/34/26/1219023426.db2.gz JPZRFGUDKWBCOL-YVEFUNNKSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1ccon1 ZINC000965323722 1219023430 /nfs/dbraw/zinc/02/34/30/1219023430.db2.gz JPZRFGUDKWBCOL-YVEFUNNKSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2cncc(F)c2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000965899319 1219337792 /nfs/dbraw/zinc/33/77/92/1219337792.db2.gz GBKJBSYXPCMSKK-SJKOYZFVSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000965899319 1219337797 /nfs/dbraw/zinc/33/77/97/1219337797.db2.gz GBKJBSYXPCMSKK-SJKOYZFVSA-N 1 2 341.390 2.061 20 30 EEEDLO Cc1ccnc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@H]2C)n1 ZINC000965969064 1219407072 /nfs/dbraw/zinc/40/70/72/1219407072.db2.gz GNCZEWNRZJLTHK-RDTXWAMCSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1ccnc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)CC[C@H]2C)n1 ZINC000965969064 1219407076 /nfs/dbraw/zinc/40/70/76/1219407076.db2.gz GNCZEWNRZJLTHK-RDTXWAMCSA-N 1 2 349.438 2.297 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccnc3[nH]cnc32)C1 ZINC000966491897 1219790919 /nfs/dbraw/zinc/79/09/19/1219790919.db2.gz POHGNWPNORHHIW-GWCFXTLKSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccnc3[nH]cnc32)C1 ZINC000966491897 1219790920 /nfs/dbraw/zinc/79/09/20/1219790920.db2.gz POHGNWPNORHHIW-GWCFXTLKSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C)CC1 ZINC000966513881 1219810849 /nfs/dbraw/zinc/81/08/49/1219810849.db2.gz CXDARDLLBXPNNU-YOEHRIQHSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C)CC1 ZINC000966513881 1219810853 /nfs/dbraw/zinc/81/08/53/1219810853.db2.gz CXDARDLLBXPNNU-YOEHRIQHSA-N 1 2 344.459 2.052 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000966670115 1219934607 /nfs/dbraw/zinc/93/46/07/1219934607.db2.gz VHMYNPZEMOTTIG-LRDDRELGSA-N 1 2 340.427 2.352 20 30 EEEDLO CCc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)no1 ZINC001016025043 1225970572 /nfs/dbraw/zinc/97/05/72/1225970572.db2.gz SAAIDLAWGQPFMP-NSHDSACASA-N 1 2 330.413 2.174 20 30 EEEDLO CCc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)no1 ZINC001016025043 1225970575 /nfs/dbraw/zinc/97/05/75/1225970575.db2.gz SAAIDLAWGQPFMP-NSHDSACASA-N 1 2 330.413 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)c(C)s3)C2)cn1 ZINC001016026778 1225972494 /nfs/dbraw/zinc/97/24/94/1225972494.db2.gz JHTXCVODNNCZIY-INIZCTEOSA-N 1 2 340.452 2.141 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)c(C)s3)C2)cn1 ZINC001016026778 1225972498 /nfs/dbraw/zinc/97/24/98/1225972498.db2.gz JHTXCVODNNCZIY-INIZCTEOSA-N 1 2 340.452 2.141 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000968176467 1221107402 /nfs/dbraw/zinc/10/74/02/1221107402.db2.gz OZDRCKNISSAIKK-FZKQIMNGSA-N 1 2 338.411 2.495 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000968176467 1221107405 /nfs/dbraw/zinc/10/74/05/1221107405.db2.gz OZDRCKNISSAIKK-FZKQIMNGSA-N 1 2 338.411 2.495 20 30 EEEDLO C=CCCn1cc(C(=O)N[C@H]2C[N@@H+](CC(=C)Cl)CC[C@@H]2C)nn1 ZINC000968409045 1221282447 /nfs/dbraw/zinc/28/24/47/1221282447.db2.gz IQAOFQZMEOSGJG-JSGCOSHPSA-N 1 2 337.855 2.047 20 30 EEEDLO C=CCCn1cc(C(=O)N[C@H]2C[N@H+](CC(=C)Cl)CC[C@@H]2C)nn1 ZINC000968409045 1221282451 /nfs/dbraw/zinc/28/24/51/1221282451.db2.gz IQAOFQZMEOSGJG-JSGCOSHPSA-N 1 2 337.855 2.047 20 30 EEEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc(-c3ccco3)s2)C1 ZINC000968566548 1221407319 /nfs/dbraw/zinc/40/73/19/1221407319.db2.gz UQVRFBREUOQDNH-CHWSQXEVSA-N 1 2 329.425 2.477 20 30 EEEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc(-c3ccco3)s2)C1 ZINC000968566548 1221407321 /nfs/dbraw/zinc/40/73/21/1221407321.db2.gz UQVRFBREUOQDNH-CHWSQXEVSA-N 1 2 329.425 2.477 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3nnn(C)c3c2)C1 ZINC000968591690 1221424606 /nfs/dbraw/zinc/42/46/06/1221424606.db2.gz DBSAXZZVUOERQM-XHDPSFHLSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3nnn(C)c3c2)C1 ZINC000968591690 1221424610 /nfs/dbraw/zinc/42/46/10/1221424610.db2.gz DBSAXZZVUOERQM-XHDPSFHLSA-N 1 2 347.850 2.161 20 30 EEEDLO 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C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc3c(c2)CCO3)C1 ZINC001008116531 1222631080 /nfs/dbraw/zinc/63/10/80/1222631080.db2.gz YRZUCPUVCHTOFM-MRXNPFEDSA-N 1 2 334.847 2.497 20 30 EEEDLO COc1ncccc1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001008374133 1222795842 /nfs/dbraw/zinc/79/58/42/1222795842.db2.gz CVJUMONFUNOALU-GOSISDBHSA-N 1 2 349.434 2.336 20 30 EEEDLO COc1ncccc1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001008374133 1222795843 /nfs/dbraw/zinc/79/58/43/1222795843.db2.gz CVJUMONFUNOALU-GOSISDBHSA-N 1 2 349.434 2.336 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001008812581 1223048282 /nfs/dbraw/zinc/04/82/82/1223048282.db2.gz AAEZEUYJWSSCLH-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001008812581 1223048287 /nfs/dbraw/zinc/04/82/87/1223048287.db2.gz AAEZEUYJWSSCLH-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO C=CCCC(=O)N(C)CCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001066987128 1223960407 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/nfs/dbraw/zinc/83/60/18/1230836018.db2.gz YROPJTBLXVSDAT-BBWFWOEESA-N 1 2 347.503 2.273 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@H]2CCCNC2=O)CC1 ZINC001039891092 1230890303 /nfs/dbraw/zinc/89/03/03/1230890303.db2.gz HCRBTDDUEHRKBI-KSZLIROESA-N 1 2 345.487 2.077 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@H]2CCCNC2=O)CC1 ZINC001039891092 1230890306 /nfs/dbraw/zinc/89/03/06/1230890306.db2.gz HCRBTDDUEHRKBI-KSZLIROESA-N 1 2 345.487 2.077 20 30 EEEDLO C[C@H]1[C@@H](Nc2ncccc2C#N)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001040204270 1231101016 /nfs/dbraw/zinc/10/10/16/1231101016.db2.gz KUZTXCFHBLKPCW-ZFWWWQNUSA-N 1 2 346.394 2.316 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@@H]1C ZINC001040268366 1231142616 /nfs/dbraw/zinc/14/26/16/1231142616.db2.gz XHQWUINYSULQLP-UKMLZYKCSA-N 1 2 330.432 2.168 20 30 EEEDLO CCN(CCCNC(=O)c1cccc2[nH+]ccn21)c1ccc(C#N)cn1 ZINC001095935417 1231390676 /nfs/dbraw/zinc/39/06/76/1231390676.db2.gz NKEFRNPLVCSMKA-UHFFFAOYSA-N 1 2 348.410 2.247 20 30 EEEDLO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C(F)(F)F)[nH]n3)C[C@@H]21 ZINC001042271470 1231995757 /nfs/dbraw/zinc/99/57/57/1231995757.db2.gz YOHCUTLQHBSYJX-PWSUYJOCSA-N 1 2 328.338 2.151 20 30 EEEDLO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C(F)(F)F)[nH]n3)C[C@@H]21 ZINC001042271470 1231995759 /nfs/dbraw/zinc/99/57/59/1231995759.db2.gz YOHCUTLQHBSYJX-PWSUYJOCSA-N 1 2 328.338 2.151 20 30 EEEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](CCOC2CCCCCC2)C1 ZINC001042590146 1232114081 /nfs/dbraw/zinc/11/40/81/1232114081.db2.gz VUOHNSYDFPZZRE-UHFFFAOYSA-N 1 2 344.459 2.382 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001043478637 1232448738 /nfs/dbraw/zinc/44/87/38/1232448738.db2.gz OAOSWBNAQSCRLG-RVZJWNSFSA-N 1 2 346.479 2.107 20 30 EEEDLO Cc1nocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095952330 1232540497 /nfs/dbraw/zinc/54/04/97/1232540497.db2.gz ZFFMLNBFSYBESG-NJAFHUGGSA-N 1 2 336.395 2.390 20 30 EEEDLO Cc1nocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095952330 1232540500 /nfs/dbraw/zinc/54/05/00/1232540500.db2.gz ZFFMLNBFSYBESG-NJAFHUGGSA-N 1 2 336.395 2.390 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](CCOc3cccc(C)c3)C2)c1 ZINC001043825146 1232592881 /nfs/dbraw/zinc/59/28/81/1232592881.db2.gz XFISLVNVJSNPRU-UHFFFAOYSA-N 1 2 349.434 2.207 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](Cc2cccc(OC)c2)C1 ZINC001044039179 1232684210 /nfs/dbraw/zinc/68/42/10/1232684210.db2.gz WATAWTAOYHUPNX-OALUTQOASA-N 1 2 344.455 2.319 20 30 EEEDLO C#CCOc1ncccc1C(=O)N(C)C1C[NH+](Cc2ccc(C)cc2)C1 ZINC001044202432 1232785633 /nfs/dbraw/zinc/78/56/33/1232785633.db2.gz TZUIYIKCNMGCQS-UHFFFAOYSA-N 1 2 349.434 2.358 20 30 EEEDLO C=C[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(C)no1)c1ccccc1 ZINC001045319330 1233665154 /nfs/dbraw/zinc/66/51/54/1233665154.db2.gz CLNZATPVHCCGKQ-DLBZAZTESA-N 1 2 340.427 2.428 20 30 EEEDLO C#Cc1ccc(C(=O)NC2(C)CC[NH+](Cc3nnc(C)o3)CC2)cc1 ZINC001045520411 1233790988 /nfs/dbraw/zinc/79/09/88/1233790988.db2.gz BJQVJKFGZSIZOF-UHFFFAOYSA-N 1 2 338.411 2.144 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2conc2C)CC1 ZINC001045542114 1233802296 /nfs/dbraw/zinc/80/22/96/1233802296.db2.gz GQQUKSNWSUNCES-UHFFFAOYSA-N 1 2 342.237 2.476 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CCCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC001067611754 1249310748 /nfs/dbraw/zinc/31/07/48/1249310748.db2.gz NIPQLGUONYYVBB-GOSISDBHSA-N 1 2 349.438 2.292 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)cs1 ZINC001046247101 1234592017 /nfs/dbraw/zinc/59/20/17/1234592017.db2.gz AOLMRKZSLFFMLH-INIZCTEOSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)cs1 ZINC001046247101 1234592022 /nfs/dbraw/zinc/59/20/22/1234592022.db2.gz AOLMRKZSLFFMLH-INIZCTEOSA-N 1 2 329.429 2.046 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046248944 1234593742 /nfs/dbraw/zinc/59/37/42/1234593742.db2.gz SVYIXTBIKXTATR-GOSISDBHSA-N 1 2 341.415 2.392 20 30 EEEDLO CC(C)c1ocnc1C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046248944 1234593745 /nfs/dbraw/zinc/59/37/45/1234593745.db2.gz SVYIXTBIKXTATR-GOSISDBHSA-N 1 2 341.415 2.392 20 30 EEEDLO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@H+](Cc2ccncc2Cl)C1 ZINC001046250441 1234594678 /nfs/dbraw/zinc/59/46/78/1234594678.db2.gz BOXFKHLCCIVWFE-KRWDZBQOSA-N 1 2 343.818 2.329 20 30 EEEDLO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001046250441 1234594683 /nfs/dbraw/zinc/59/46/83/1234594683.db2.gz BOXFKHLCCIVWFE-KRWDZBQOSA-N 1 2 343.818 2.329 20 30 EEEDLO Cc1csc(C[N@@H+]2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001046251769 1234595604 /nfs/dbraw/zinc/59/56/04/1234595604.db2.gz SYMBDCAFXNIQSA-INIZCTEOSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1csc(C[N@H+]2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001046251769 1234595607 /nfs/dbraw/zinc/59/56/07/1234595607.db2.gz SYMBDCAFXNIQSA-INIZCTEOSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046312559 1234657433 /nfs/dbraw/zinc/65/74/33/1234657433.db2.gz VYYYXLWTKBXXPX-GOSISDBHSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046312559 1234657437 /nfs/dbraw/zinc/65/74/37/1234657437.db2.gz VYYYXLWTKBXXPX-GOSISDBHSA-N 1 2 341.390 2.123 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(N3CCCC3)ncn2)C1 ZINC001046619614 1235003414 /nfs/dbraw/zinc/00/34/14/1235003414.db2.gz WGVKNOSGKJGKNU-KRWDZBQOSA-N 1 2 349.866 2.024 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(N3CCCC3)ncn2)C1 ZINC001046619614 1235003416 /nfs/dbraw/zinc/00/34/16/1235003416.db2.gz WGVKNOSGKJGKNU-KRWDZBQOSA-N 1 2 349.866 2.024 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC001046671849 1235059150 /nfs/dbraw/zinc/05/91/50/1235059150.db2.gz ZJPPXBRNRMMWSN-NVXWUHKLSA-N 1 2 338.810 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC001046671849 1235059152 /nfs/dbraw/zinc/05/91/52/1235059152.db2.gz ZJPPXBRNRMMWSN-NVXWUHKLSA-N 1 2 338.810 2.462 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001046695956 1235081360 /nfs/dbraw/zinc/08/13/60/1235081360.db2.gz SDQVSSANOPXDRI-KRWDZBQOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001046695956 1235081363 /nfs/dbraw/zinc/08/13/63/1235081363.db2.gz SDQVSSANOPXDRI-KRWDZBQOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096185587 1236008515 /nfs/dbraw/zinc/00/85/15/1236008515.db2.gz JFIJLJOTYSSUPH-MRXNPFEDSA-N 1 2 332.448 2.080 20 30 EEEDLO CNC(=O)C[N@H+](CCO[C@@H](C)C#N)Cc1cccc(C(F)(F)F)c1 ZINC000801933668 1236468556 /nfs/dbraw/zinc/46/85/56/1236468556.db2.gz UTDFFJILAOAVAQ-LBPRGKRZSA-N 1 2 343.349 2.182 20 30 EEEDLO CNC(=O)C[N@@H+](CCO[C@@H](C)C#N)Cc1cccc(C(F)(F)F)c1 ZINC000801933668 1236468561 /nfs/dbraw/zinc/46/85/61/1236468561.db2.gz UTDFFJILAOAVAQ-LBPRGKRZSA-N 1 2 343.349 2.182 20 30 EEEDLO CC(C)CCCC(=O)NCC[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC001096304468 1237255657 /nfs/dbraw/zinc/25/56/57/1237255657.db2.gz OVZVVHCJOBLURM-UHFFFAOYSA-N 1 2 343.475 2.018 20 30 EEEDLO C=CC[N@H+](CN1CCN(Cc2cccc(OC)c2)C1=O)[C@H](C)COC ZINC000902312939 1237386659 /nfs/dbraw/zinc/38/66/59/1237386659.db2.gz NDBCLQAALLSISL-MRXNPFEDSA-N 1 2 347.459 2.413 20 30 EEEDLO C=CC[N@@H+](CN1CCN(Cc2cccc(OC)c2)C1=O)[C@H](C)COC ZINC000902312939 1237386665 /nfs/dbraw/zinc/38/66/65/1237386665.db2.gz NDBCLQAALLSISL-MRXNPFEDSA-N 1 2 347.459 2.413 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001067805605 1249658423 /nfs/dbraw/zinc/65/84/23/1249658423.db2.gz ZNWKBVOTSGJHTP-BBWFWOEESA-N 1 2 344.459 2.193 20 30 EEEDLO N#Cc1c(F)cccc1N1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001096395618 1238236372 /nfs/dbraw/zinc/23/63/72/1238236372.db2.gz NXWMZWBGLQCAKG-CQSZACIVSA-N 1 2 341.390 2.069 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CCCn1cc[nH+]c1 ZINC001056297871 1239151968 /nfs/dbraw/zinc/15/19/68/1239151968.db2.gz MVWXZUQLOBCELM-IAGOWNOFSA-N 1 2 344.459 2.221 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001056536389 1239433860 /nfs/dbraw/zinc/43/38/60/1239433860.db2.gz ZFWOAOSEFGTGOJ-IRXDYDNUSA-N 1 2 344.459 2.209 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nccn3C(F)F)C[C@@H]2C1 ZINC001048979653 1239645255 /nfs/dbraw/zinc/64/52/55/1239645255.db2.gz ZUULRPUAUKQGGI-BETUJISGSA-N 1 2 338.402 2.381 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nccn3C(F)F)C[C@@H]2C1 ZINC001048979653 1239645264 /nfs/dbraw/zinc/64/52/64/1239645264.db2.gz ZUULRPUAUKQGGI-BETUJISGSA-N 1 2 338.402 2.381 20 30 EEEDLO Cc1nsc(N[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)c1C#N ZINC001056793019 1239793406 /nfs/dbraw/zinc/79/34/06/1239793406.db2.gz QSBXAEBPTQOBFT-WCQYABFASA-N 1 2 344.444 2.184 20 30 EEEDLO Cc1cc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)no1 ZINC001049426132 1240878886 /nfs/dbraw/zinc/87/88/86/1240878886.db2.gz SJHCTAQPWGHMPF-SJORKVTESA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1cc(C[N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)no1 ZINC001049426132 1240878892 /nfs/dbraw/zinc/87/88/92/1240878892.db2.gz SJHCTAQPWGHMPF-SJORKVTESA-N 1 2 339.399 2.062 20 30 EEEDLO C=CCCCC(=O)N(C)CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001067917826 1249969171 /nfs/dbraw/zinc/96/91/71/1249969171.db2.gz LZXZSYHVZHPZTR-UHFFFAOYSA-N 1 2 334.464 2.016 20 30 EEEDLO CCc1nnc([C@H](C)[N@@H+]2C[C@@H]3CCCN(C(=O)C#CC4CC4)[C@@H]3C2)o1 ZINC001050046360 1242713436 /nfs/dbraw/zinc/71/34/36/1242713436.db2.gz ZBPGNEVUYOMCMA-CWRNSKLLSA-N 1 2 342.443 2.029 20 30 EEEDLO CCc1nnc([C@H](C)[N@H+]2C[C@@H]3CCCN(C(=O)C#CC4CC4)[C@@H]3C2)o1 ZINC001050046360 1242713445 /nfs/dbraw/zinc/71/34/45/1242713445.db2.gz ZBPGNEVUYOMCMA-CWRNSKLLSA-N 1 2 342.443 2.029 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001073983650 1242862988 /nfs/dbraw/zinc/86/29/88/1242862988.db2.gz UJUNCGRLRANJBL-RDJZCZTQSA-N 1 2 344.459 2.005 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCO1)C2 ZINC001096963922 1243495323 /nfs/dbraw/zinc/49/53/23/1243495323.db2.gz ABQLSTSIHCMLIY-YRXWBPOGSA-N 1 2 339.439 2.349 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCO1)C2 ZINC001096963922 1243495324 /nfs/dbraw/zinc/49/53/24/1243495324.db2.gz ABQLSTSIHCMLIY-YRXWBPOGSA-N 1 2 339.439 2.349 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001097088129 1243685779 /nfs/dbraw/zinc/68/57/79/1243685779.db2.gz FIOQRFNHVZNQLL-HDJSIYSDSA-N 1 2 343.475 2.126 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001097088129 1243685790 /nfs/dbraw/zinc/68/57/90/1243685790.db2.gz FIOQRFNHVZNQLL-HDJSIYSDSA-N 1 2 343.475 2.126 20 30 EEEDLO C[C@H](CC(=O)N1CCC(Nc2ccc(C#N)nc2)CC1)n1cc[nH+]c1 ZINC001057434272 1243763115 /nfs/dbraw/zinc/76/31/15/1243763115.db2.gz GTVJYTHXPNGAGF-CQSZACIVSA-N 1 2 338.415 2.204 20 30 EEEDLO C=CCOCCCC(=O)N1CCC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001097357831 1244043614 /nfs/dbraw/zinc/04/36/14/1244043614.db2.gz VYVKKQWCVHRLTO-INIZCTEOSA-N 1 2 332.448 2.418 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001097383291 1244117543 /nfs/dbraw/zinc/11/75/43/1244117543.db2.gz DKVDPXGQNJWTNZ-HNNXBMFYSA-N 1 2 346.479 2.253 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]([C@H](C)NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050876760 1244534873 /nfs/dbraw/zinc/53/48/73/1244534873.db2.gz MEVIMNXBCGNOFR-GJZGRUSLSA-N 1 2 332.448 2.052 20 30 EEEDLO Cc1cc(N[C@H](C)CNC(=O)c2c[nH]c(C#N)c2)nc(C(C)C)[nH+]1 ZINC001097765966 1244583998 /nfs/dbraw/zinc/58/39/98/1244583998.db2.gz DNVCNDKBRRVXKI-GFCCVEGCSA-N 1 2 326.404 2.339 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc(CC(C)C)[nH]1 ZINC001050919738 1244626564 /nfs/dbraw/zinc/62/65/64/1244626564.db2.gz QMNPYNWHBUFGKX-OAHLLOKOSA-N 1 2 334.464 2.005 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc(CC(C)C)[nH]1 ZINC001050919738 1244626573 /nfs/dbraw/zinc/62/65/73/1244626573.db2.gz QMNPYNWHBUFGKX-OAHLLOKOSA-N 1 2 334.464 2.005 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccoc1C(F)(F)F ZINC001050940143 1244671599 /nfs/dbraw/zinc/67/15/99/1244671599.db2.gz PTAWOXAAPGXQKQ-LLVKDONJSA-N 1 2 332.322 2.305 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccoc1C(F)(F)F ZINC001050940143 1244671601 /nfs/dbraw/zinc/67/16/01/1244671601.db2.gz PTAWOXAAPGXQKQ-LLVKDONJSA-N 1 2 332.322 2.305 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c(C)nn(C(C)(C)C)c1C ZINC001050945625 1244689859 /nfs/dbraw/zinc/68/98/59/1244689859.db2.gz SESBHXLABFFUPH-MRXNPFEDSA-N 1 2 348.491 2.262 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(C)nn(C(C)(C)C)c1C ZINC001050945625 1244689869 /nfs/dbraw/zinc/68/98/69/1244689869.db2.gz SESBHXLABFFUPH-MRXNPFEDSA-N 1 2 348.491 2.262 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H](C)[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001052689437 1244759180 /nfs/dbraw/zinc/75/91/80/1244759180.db2.gz CYQQQPFJWQMDHU-HOTGVXAUSA-N 1 2 346.475 2.086 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccn2cc(C)nc2c1 ZINC001051111938 1244997667 /nfs/dbraw/zinc/99/76/67/1244997667.db2.gz KKZNUQVFOBPASN-QGZVFWFLSA-N 1 2 342.443 2.040 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccn2cc(C)nc2c1 ZINC001051111938 1244997674 /nfs/dbraw/zinc/99/76/74/1244997674.db2.gz KKZNUQVFOBPASN-QGZVFWFLSA-N 1 2 342.443 2.040 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)CC[C@@H]1C ZINC001067997532 1250162857 /nfs/dbraw/zinc/16/28/57/1250162857.db2.gz NYVFVRMMQXBTIX-GOEBONIOSA-N 1 2 339.443 2.417 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnn(C(C)C)c1C ZINC001051201135 1245380861 /nfs/dbraw/zinc/38/08/61/1245380861.db2.gz ABNPXUXVGMESPL-INIZCTEOSA-N 1 2 334.464 2.169 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnn(C(C)C)c1C ZINC001051201135 1245380864 /nfs/dbraw/zinc/38/08/64/1245380864.db2.gz ABNPXUXVGMESPL-INIZCTEOSA-N 1 2 334.464 2.169 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001052865700 1245411458 /nfs/dbraw/zinc/41/14/58/1245411458.db2.gz BMYKDIHJLKHWKR-CVEARBPZSA-N 1 2 346.475 2.086 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cncc2ccccc21 ZINC001051253692 1245442923 /nfs/dbraw/zinc/44/29/23/1245442923.db2.gz XHDNAOTYESRALK-INIZCTEOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cncc2ccccc21 ZINC001051253692 1245442928 /nfs/dbraw/zinc/44/29/28/1245442928.db2.gz XHDNAOTYESRALK-INIZCTEOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001051270483 1245461847 /nfs/dbraw/zinc/46/18/47/1245461847.db2.gz PIAIBANEJDXJFB-ZWKOTPCHSA-N 1 2 344.455 2.082 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001051270483 1245461849 /nfs/dbraw/zinc/46/18/49/1245461849.db2.gz PIAIBANEJDXJFB-ZWKOTPCHSA-N 1 2 344.455 2.082 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101167835 1245475298 /nfs/dbraw/zinc/47/52/98/1245475298.db2.gz WODXTYRCPZTCHA-KDOFPFPSSA-N 1 2 331.464 2.175 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101167835 1245475304 /nfs/dbraw/zinc/47/53/04/1245475304.db2.gz WODXTYRCPZTCHA-KDOFPFPSSA-N 1 2 331.464 2.175 20 30 EEEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C)[nH]3)C[C@@]2(C)C1 ZINC001101249581 1245570357 /nfs/dbraw/zinc/57/03/57/1245570357.db2.gz CGOPVKWQHYNYCP-APWZRJJASA-N 1 2 343.475 2.162 20 30 EEEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C)[nH]3)C[C@@]2(C)C1 ZINC001101249581 1245570362 /nfs/dbraw/zinc/57/03/62/1245570362.db2.gz CGOPVKWQHYNYCP-APWZRJJASA-N 1 2 343.475 2.162 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CCC)c1cc[nH+]c(C)n1 ZINC001101253974 1245576180 /nfs/dbraw/zinc/57/61/80/1245576180.db2.gz UKUSGDMLJLVSQK-RDJZCZTQSA-N 1 2 332.448 2.099 20 30 EEEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(CC)n3C)C[C@@]2(C)C1 ZINC001101347077 1245694002 /nfs/dbraw/zinc/69/40/02/1245694002.db2.gz UXOJJFXWBRWYNL-BEFAXECRSA-N 1 2 345.491 2.014 20 30 EEEDLO C=CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(CC)n3C)C[C@@]2(C)C1 ZINC001101347077 1245694011 /nfs/dbraw/zinc/69/40/11/1245694011.db2.gz UXOJJFXWBRWYNL-BEFAXECRSA-N 1 2 345.491 2.014 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCCN(c1[nH+]cnc2c1cnn2C)C1CC1 ZINC001101426027 1245807140 /nfs/dbraw/zinc/80/71/40/1245807140.db2.gz OFBKVTWGOUVFRY-ZDUSSCGKSA-N 1 2 342.447 2.051 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@@H]([C@H](C)NC(=O)Cc3[nH]cc[nH+]3)C2)CCC1 ZINC001051532806 1245842584 /nfs/dbraw/zinc/84/25/84/1245842584.db2.gz KWHMHBGOAWPKEJ-LSDHHAIUSA-N 1 2 344.459 2.052 20 30 EEEDLO Cc1ccc(CCC[NH+]2CC3(C2)CN(C(=O)[C@@H](C)C#N)CCO3)cc1 ZINC001053191680 1246031533 /nfs/dbraw/zinc/03/15/33/1246031533.db2.gz SPCXIZQYRRAZND-KRWDZBQOSA-N 1 2 341.455 2.001 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC2(C[NH+](C[C@H](F)CC)C2)n2ccnc21 ZINC001101624495 1246057771 /nfs/dbraw/zinc/05/77/71/1246057771.db2.gz WRGTVXVICYHVPA-HZPDHXFCSA-N 1 2 346.450 2.397 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@H](C)c1c(C)n[nH]c1C)CCO2 ZINC001053317111 1246176927 /nfs/dbraw/zinc/17/69/27/1246176927.db2.gz YVEWPHPNAFAPCY-AWEZNQCLSA-N 1 2 346.475 2.009 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)CC1 ZINC001052006148 1246367656 /nfs/dbraw/zinc/36/76/56/1246367656.db2.gz MHPQDIZFPDCQHA-NCOADZHNSA-N 1 2 337.895 2.004 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](c1cccnc1)C(C)C)CCO2 ZINC001053482541 1246379145 /nfs/dbraw/zinc/37/91/45/1246379145.db2.gz RAJCABQTMVLDJL-SFHVURJKSA-N 1 2 343.471 2.311 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(C3CCC3)C3CCC3)C2)CC1 ZINC001052071778 1246446614 /nfs/dbraw/zinc/44/66/14/1246446614.db2.gz ZQVDDLMQDVZFTJ-LJQANCHMSA-N 1 2 343.515 2.055 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)Cc1ccccc1)CCO2 ZINC001053538198 1246446745 /nfs/dbraw/zinc/44/67/45/1246446745.db2.gz VUXYDGIRNORHOC-QGZVFWFLSA-N 1 2 328.456 2.355 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)C(C)(F)F)C2)CC1 ZINC001052081442 1246458348 /nfs/dbraw/zinc/45/83/48/1246458348.db2.gz BLBLTXPVUOITDQ-GJZGRUSLSA-N 1 2 329.435 2.072 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1csc(C3CC3)n1)CCO2 ZINC001053548245 1246460864 /nfs/dbraw/zinc/46/08/64/1246460864.db2.gz HWSRNNCCBCTFDG-UHFFFAOYSA-N 1 2 333.457 2.123 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](CC)CC3CCCC3)C2)CC1 ZINC001052092988 1246472809 /nfs/dbraw/zinc/47/28/09/1246472809.db2.gz ITXAGSDABHNYFD-WOJBJXKFSA-N 1 2 345.531 2.445 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)c3ccccc3)C2)CC1 ZINC001052107277 1246487936 /nfs/dbraw/zinc/48/79/36/1246487936.db2.gz CQONKWQQLJVSGW-AZUAARDMSA-N 1 2 339.483 2.032 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3ccsc3[nH]1)O2 ZINC001053635317 1246567173 /nfs/dbraw/zinc/56/71/73/1246567173.db2.gz ABHXODVRILLFFN-ZDUSSCGKSA-N 1 2 331.441 2.379 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc3ncccc3c1)O2 ZINC001053658326 1246602215 /nfs/dbraw/zinc/60/22/15/1246602215.db2.gz WWSIVIMIFQOYNS-QGZVFWFLSA-N 1 2 337.423 2.384 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3c([nH]1)CCCC3)O2 ZINC001053687968 1246652618 /nfs/dbraw/zinc/65/26/18/1246652618.db2.gz GQEYXRNVUYOCFA-INIZCTEOSA-N 1 2 343.471 2.433 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C)n(C)c1C)O2 ZINC001053696274 1246668615 /nfs/dbraw/zinc/66/86/15/1246668615.db2.gz FBCMRMIYPRKSEB-MRXNPFEDSA-N 1 2 331.460 2.181 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001053825893 1246853877 /nfs/dbraw/zinc/85/38/77/1246853877.db2.gz AYJKNUDMNLIHIA-BJWYYQGGSA-N 1 2 344.459 2.125 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3ccncc3s1)CO2 ZINC001053829716 1246862417 /nfs/dbraw/zinc/86/24/17/1246862417.db2.gz IBVIKSSWOZBUCS-AWEZNQCLSA-N 1 2 343.452 2.446 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3nc(C)oc3c1)CO2 ZINC001053834169 1246872310 /nfs/dbraw/zinc/87/23/10/1246872310.db2.gz DTIXTRDRBICRJS-HNNXBMFYSA-N 1 2 341.411 2.285 20 30 EEEDLO N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3cccc4[nH+]ccn43)C2)cn1 ZINC001057719313 1246913772 /nfs/dbraw/zinc/91/37/72/1246913772.db2.gz HSPYIVSVJWRZAI-MRXNPFEDSA-N 1 2 346.394 2.318 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(OC)cc1C)CO2 ZINC001053909646 1246999365 /nfs/dbraw/zinc/99/93/65/1246999365.db2.gz HVGRGGBTOWTHEP-OAHLLOKOSA-N 1 2 330.428 2.153 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccc(F)c(F)c1)CO2 ZINC001053909642 1247000859 /nfs/dbraw/zinc/00/08/59/1247000859.db2.gz OLZKIAAMJQWAPA-CQSZACIVSA-N 1 2 336.382 2.043 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3ccccc3C1)CO2 ZINC001053936980 1247034584 /nfs/dbraw/zinc/03/45/84/1247034584.db2.gz WXRBVHYWXOXPNH-RBUKOAKNSA-N 1 2 340.467 2.327 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3c(c1)C[C@H](C)O3)CO2 ZINC001053955999 1247063896 /nfs/dbraw/zinc/06/38/96/1247063896.db2.gz WSJKQKWMWWLLDF-YOEHRIQHSA-N 1 2 342.439 2.159 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1csc(C(C)(C)C)n1)CO2 ZINC001053957140 1247065831 /nfs/dbraw/zinc/06/58/31/1247065831.db2.gz VJXBYGKCVRLHAA-ZDUSSCGKSA-N 1 2 347.484 2.037 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn([C@@H](C)CC)c1C)CO2 ZINC001053977203 1247096780 /nfs/dbraw/zinc/09/67/80/1247096780.db2.gz PDQDNFUPQVUKBE-HOCLYGCPSA-N 1 2 346.475 2.312 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1sc(C(C)C)nc1C)CO2 ZINC001054007009 1247140772 /nfs/dbraw/zinc/14/07/72/1247140772.db2.gz UDAJQPUITDXSED-AWEZNQCLSA-N 1 2 347.484 2.171 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001054033272 1247181412 /nfs/dbraw/zinc/18/14/12/1247181412.db2.gz PPTDILDLTXUYBE-GOSISDBHSA-N 1 2 336.439 2.152 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001054033272 1247181421 /nfs/dbraw/zinc/18/14/21/1247181421.db2.gz PPTDILDLTXUYBE-GOSISDBHSA-N 1 2 336.439 2.152 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccnn1CC ZINC001054039684 1247197989 /nfs/dbraw/zinc/19/79/89/1247197989.db2.gz FYUAWFKERRDZQE-SFHVURJKSA-N 1 2 336.439 2.083 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccnn1CC ZINC001054039684 1247197996 /nfs/dbraw/zinc/19/79/96/1247197996.db2.gz FYUAWFKERRDZQE-SFHVURJKSA-N 1 2 336.439 2.083 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccnn1C(C)C ZINC001054040917 1247199884 /nfs/dbraw/zinc/19/98/84/1247199884.db2.gz GMGGDDLLJVQXNW-SFHVURJKSA-N 1 2 336.439 2.254 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccnn1C(C)C ZINC001054040917 1247199887 /nfs/dbraw/zinc/19/98/87/1247199887.db2.gz GMGGDDLLJVQXNW-SFHVURJKSA-N 1 2 336.439 2.254 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C2CC2)n(C)n1 ZINC001054043143 1247208929 /nfs/dbraw/zinc/20/89/29/1247208929.db2.gz QZOCFSBIYOQDSF-GOSISDBHSA-N 1 2 348.450 2.087 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C2CC2)n(C)n1 ZINC001054043143 1247208936 /nfs/dbraw/zinc/20/89/36/1247208936.db2.gz QZOCFSBIYOQDSF-GOSISDBHSA-N 1 2 348.450 2.087 20 30 EEEDLO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(COC)on1 ZINC001054056076 1247252904 /nfs/dbraw/zinc/25/29/04/1247252904.db2.gz XQIMYXPSUQOKLJ-INIZCTEOSA-N 1 2 341.411 2.164 20 30 EEEDLO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(COC)on1 ZINC001054056076 1247252914 /nfs/dbraw/zinc/25/29/14/1247252914.db2.gz XQIMYXPSUQOKLJ-INIZCTEOSA-N 1 2 341.411 2.164 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1c[nH]c2cccnc12 ZINC001054057591 1247258937 /nfs/dbraw/zinc/25/89/37/1247258937.db2.gz AQTPQJYBMSQRHJ-KRWDZBQOSA-N 1 2 344.418 2.353 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1c[nH]c2cccnc12 ZINC001054057591 1247258943 /nfs/dbraw/zinc/25/89/43/1247258943.db2.gz AQTPQJYBMSQRHJ-KRWDZBQOSA-N 1 2 344.418 2.353 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cn(CC)cn1 ZINC001054058448 1247263782 /nfs/dbraw/zinc/26/37/82/1247263782.db2.gz LYYBHGMMQXTHLX-SFHVURJKSA-N 1 2 336.439 2.083 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cn(CC)cn1 ZINC001054058448 1247263790 /nfs/dbraw/zinc/26/37/90/1247263790.db2.gz LYYBHGMMQXTHLX-SFHVURJKSA-N 1 2 336.439 2.083 20 30 EEEDLO C[C@H](c1csnn1)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001054130561 1247476322 /nfs/dbraw/zinc/47/63/22/1247476322.db2.gz SGRUEWDXRGQYGO-KDOFPFPSSA-N 1 2 344.484 2.327 20 30 EEEDLO C[C@H](c1csnn1)[N@H+]1CC[C@]2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001054130561 1247476328 /nfs/dbraw/zinc/47/63/28/1247476328.db2.gz SGRUEWDXRGQYGO-KDOFPFPSSA-N 1 2 344.484 2.327 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001052604076 1247659497 /nfs/dbraw/zinc/65/94/97/1247659497.db2.gz GHTAAVWPBJLPTC-HUUCEWRRSA-N 1 2 346.475 2.155 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@@H](C)Cc4c[nH]nc43)cc2C1 ZINC001054278354 1247989113 /nfs/dbraw/zinc/98/91/13/1247989113.db2.gz XFNKZLUXSMPQDP-IFXJQAMLSA-N 1 2 348.450 2.341 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@@H](C)Cc4c[nH]nc43)cc2C1 ZINC001054278354 1247989120 /nfs/dbraw/zinc/98/91/20/1247989120.db2.gz XFNKZLUXSMPQDP-IFXJQAMLSA-N 1 2 348.450 2.341 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cnc(COC)s3)cc2C1 ZINC001054292960 1248031211 /nfs/dbraw/zinc/03/12/11/1248031211.db2.gz FHKRPOSQHHNZMC-UHFFFAOYSA-N 1 2 341.436 2.168 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cnc(COC)s3)cc2C1 ZINC001054292960 1248031226 /nfs/dbraw/zinc/03/12/26/1248031226.db2.gz FHKRPOSQHHNZMC-UHFFFAOYSA-N 1 2 341.436 2.168 20 30 EEEDLO C[C@H]1C[C@@H](CNc2cccc(F)c2C#N)CN1C(=O)Cn1cc[nH+]c1 ZINC001068336276 1250829561 /nfs/dbraw/zinc/82/95/61/1250829561.db2.gz WTHPYCYQRBVYNJ-KBPBESRZSA-N 1 2 341.390 2.243 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccn(C)n3)C2)cc1 ZINC001071732421 1254587250 /nfs/dbraw/zinc/58/72/50/1254587250.db2.gz UQOFHHSYBHWJIV-QAPCUYQASA-N 1 2 336.439 2.184 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ccn(C)n3)C2)cc1 ZINC001071732421 1254587276 /nfs/dbraw/zinc/58/72/76/1254587276.db2.gz UQOFHHSYBHWJIV-QAPCUYQASA-N 1 2 336.439 2.184 20 30 EEEDLO CC(C)c1noc([C@H](C)[N@@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)n1 ZINC001072712694 1255326121 /nfs/dbraw/zinc/32/61/21/1255326121.db2.gz SYBCMXOLGUFJSI-AWEZNQCLSA-N 1 2 342.443 2.202 20 30 EEEDLO CC(C)c1noc([C@H](C)[N@H+]2CCC3(CN(C(=O)C#CC4CC4)C3)C2)n1 ZINC001072712694 1255326128 /nfs/dbraw/zinc/32/61/28/1255326128.db2.gz SYBCMXOLGUFJSI-AWEZNQCLSA-N 1 2 342.443 2.202 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccn4ccccc34)C[C@@H]21 ZINC001074294478 1256876565 /nfs/dbraw/zinc/87/65/65/1256876565.db2.gz OAYNFCDYYQKXNM-RBUKOAKNSA-N 1 2 339.439 2.431 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccn4ccccc34)C[C@@H]21 ZINC001074294478 1256876572 /nfs/dbraw/zinc/87/65/72/1256876572.db2.gz OAYNFCDYYQKXNM-RBUKOAKNSA-N 1 2 339.439 2.431 20 30 EEEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ncoc3C3CC3)C[C@H]21 ZINC001074376870 1256953960 /nfs/dbraw/zinc/95/39/60/1256953960.db2.gz BRVTXNFVDJNUTE-HUUCEWRRSA-N 1 2 331.416 2.043 20 30 EEEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ncoc3C3CC3)C[C@H]21 ZINC001074376870 1256953970 /nfs/dbraw/zinc/95/39/70/1256953970.db2.gz BRVTXNFVDJNUTE-HUUCEWRRSA-N 1 2 331.416 2.043 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc4sccc4[nH]3)C[C@H]21 ZINC001074376992 1256954140 /nfs/dbraw/zinc/95/41/40/1256954140.db2.gz DBIQFLDELXWFOF-CVEARBPZSA-N 1 2 343.452 2.168 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc4sccc4[nH]3)C[C@H]21 ZINC001074376992 1256954148 /nfs/dbraw/zinc/95/41/48/1256954148.db2.gz DBIQFLDELXWFOF-CVEARBPZSA-N 1 2 343.452 2.168 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4ccccc4n3)C[C@@H]21 ZINC001074387860 1256967121 /nfs/dbraw/zinc/96/71/21/1256967121.db2.gz RIBITVPWZVAFHN-VQTJNVASSA-N 1 2 349.434 2.173 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4ccccc4n3)C[C@@H]21 ZINC001074387860 1256967126 /nfs/dbraw/zinc/96/71/26/1256967126.db2.gz RIBITVPWZVAFHN-VQTJNVASSA-N 1 2 349.434 2.173 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(Cl)c3)C[C@H]21 ZINC001074389110 1256969678 /nfs/dbraw/zinc/96/96/78/1256969678.db2.gz BGFCHAZWTSNROC-SJORKVTESA-N 1 2 332.831 2.279 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(Cl)c3)C[C@H]21 ZINC001074389110 1256969684 /nfs/dbraw/zinc/96/96/84/1256969684.db2.gz BGFCHAZWTSNROC-SJORKVTESA-N 1 2 332.831 2.279 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccccc3OCC)C[C@@H]21 ZINC001074396026 1256979124 /nfs/dbraw/zinc/97/91/24/1256979124.db2.gz YQQSRASWRPSJAV-HKUYNNGSSA-N 1 2 342.439 2.024 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccccc3OCC)C[C@@H]21 ZINC001074396026 1256979129 /nfs/dbraw/zinc/97/91/29/1256979129.db2.gz YQQSRASWRPSJAV-HKUYNNGSSA-N 1 2 342.439 2.024 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)COc3ccccc3C)C[C@@H]21 ZINC001074398319 1256983586 /nfs/dbraw/zinc/98/35/86/1256983586.db2.gz VZMLTOBPOXKSAW-PKOBYXMFSA-N 1 2 344.455 2.252 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)COc3ccccc3C)C[C@@H]21 ZINC001074398319 1256983592 /nfs/dbraw/zinc/98/35/92/1256983592.db2.gz VZMLTOBPOXKSAW-PKOBYXMFSA-N 1 2 344.455 2.252 20 30 EEEDLO N#Cc1cc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cscn2)C3)c[nH]1 ZINC001098801506 1257826795 /nfs/dbraw/zinc/82/67/95/1257826795.db2.gz VNEQEDYEKYAXLB-GUYCJALGSA-N 1 2 341.440 2.127 20 30 EEEDLO N#Cc1cc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cscn2)C3)c[nH]1 ZINC001098801506 1257826804 /nfs/dbraw/zinc/82/68/04/1257826804.db2.gz VNEQEDYEKYAXLB-GUYCJALGSA-N 1 2 341.440 2.127 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2Cc2cn(C)nn2)C1 ZINC001099229998 1258025947 /nfs/dbraw/zinc/02/59/47/1258025947.db2.gz OROOKJKKODXJDL-INIZCTEOSA-N 1 2 345.491 2.278 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2Cc2cn(C)nn2)C1 ZINC001099229998 1258025955 /nfs/dbraw/zinc/02/59/55/1258025955.db2.gz OROOKJKKODXJDL-INIZCTEOSA-N 1 2 345.491 2.278 20 30 EEEDLO CC(C)=C(F)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC001099780670 1258358044 /nfs/dbraw/zinc/35/80/44/1258358044.db2.gz LBHOZFYNLVSPCQ-CVEARBPZSA-N 1 2 349.381 2.012 20 30 EEEDLO CC(C)=C(F)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC001099780670 1258358053 /nfs/dbraw/zinc/35/80/53/1258358053.db2.gz LBHOZFYNLVSPCQ-CVEARBPZSA-N 1 2 349.381 2.012 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)sc2C)C[C@@H]1O ZINC001099787397 1258365304 /nfs/dbraw/zinc/36/53/04/1258365304.db2.gz WGMXPAMPBOTMNQ-WBVHZDCISA-N 1 2 349.500 2.005 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[N@H+](Cc2nc(C)sc2C)C[C@@H]1O ZINC001099787397 1258365311 /nfs/dbraw/zinc/36/53/11/1258365311.db2.gz WGMXPAMPBOTMNQ-WBVHZDCISA-N 1 2 349.500 2.005 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C[C@H]1O ZINC001099855475 1258423365 /nfs/dbraw/zinc/42/33/65/1258423365.db2.gz IPQCGQOFRZUOKA-LSDHHAIUSA-N 1 2 337.851 2.143 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C[C@H]1O ZINC001099855475 1258423367 /nfs/dbraw/zinc/42/33/67/1258423367.db2.gz IPQCGQOFRZUOKA-LSDHHAIUSA-N 1 2 337.851 2.143 20 30 EEEDLO CCC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC001099981710 1258476359 /nfs/dbraw/zinc/47/63/59/1258476359.db2.gz RSRDGXFKNDOHQB-IRXDYDNUSA-N 1 2 347.434 2.185 20 30 EEEDLO CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC001099981710 1258476363 /nfs/dbraw/zinc/47/63/63/1258476363.db2.gz RSRDGXFKNDOHQB-IRXDYDNUSA-N 1 2 347.434 2.185 20 30 EEEDLO Cc1nc(N2CCC[C@@H]2CNC(=O)C#CC2CC2)c2c([nH+]1)CCCC2 ZINC001100828802 1259310019 /nfs/dbraw/zinc/31/00/19/1259310019.db2.gz UNKXBCVOTCZZBT-MRXNPFEDSA-N 1 2 338.455 2.162 20 30 EEEDLO N#Cc1c(F)cccc1N1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001100884640 1259393489 /nfs/dbraw/zinc/39/34/89/1259393489.db2.gz CVYMOQIYNLZWDU-AWEZNQCLSA-N 1 2 341.390 2.069 20 30 EEEDLO C=CCCCCC[NH2+]CCCNC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC001170802177 1278222511 /nfs/dbraw/zinc/22/25/11/1278222511.db2.gz KAIUBTJZUUWBCV-UHFFFAOYSA-N 1 2 344.463 2.266 20 30 EEEDLO N#Cc1ccsc1C(=O)Nc1ccc(C(N)=O)cc1-n1cc[nH+]c1 ZINC001273484190 1278583402 /nfs/dbraw/zinc/58/34/02/1278583402.db2.gz URINANYIJWAQOC-UHFFFAOYSA-N 1 2 337.364 2.157 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)C(C)=C3CCCC3)C2)nn1 ZINC001185918028 1278869231 /nfs/dbraw/zinc/86/92/31/1278869231.db2.gz YZCBMCCTQLTYIQ-GOSISDBHSA-N 1 2 341.459 2.055 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1F ZINC001110389431 1279381180 /nfs/dbraw/zinc/38/11/80/1279381180.db2.gz SFYGMOOASHTLMO-OIISXLGYSA-N 1 2 336.382 2.389 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1F ZINC001110389431 1279381188 /nfs/dbraw/zinc/38/11/88/1279381188.db2.gz SFYGMOOASHTLMO-OIISXLGYSA-N 1 2 336.382 2.389 20 30 EEEDLO CSCCC(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001188793596 1279994468 /nfs/dbraw/zinc/99/44/68/1279994468.db2.gz SRSFSYUEAWNIJH-INIZCTEOSA-N 1 2 335.448 2.483 20 30 EEEDLO CSCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001188793596 1279994472 /nfs/dbraw/zinc/99/44/72/1279994472.db2.gz SRSFSYUEAWNIJH-INIZCTEOSA-N 1 2 335.448 2.483 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C)CC)C2)c1 ZINC001188924751 1280056272 /nfs/dbraw/zinc/05/62/72/1280056272.db2.gz HVRSKEBXAMFSKC-QAPCUYQASA-N 1 2 341.455 2.185 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C)CC)C2)c1 ZINC001188924751 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335.423 2.140 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1C[N@@H+](Cc2cncc(F)c2)CCCO1 ZINC001150085965 1316151502 /nfs/dbraw/zinc/15/15/02/1316151502.db2.gz WGRCJJQXFFVNEP-INIZCTEOSA-N 1 2 335.423 2.140 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2cc(C)n(C)n2)CCCO1 ZINC001150373170 1316246988 /nfs/dbraw/zinc/24/69/88/1316246988.db2.gz XIXDQKMLJQBNAL-QGZVFWFLSA-N 1 2 348.491 2.038 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)n(C)n2)CCCO1 ZINC001150373170 1316246990 /nfs/dbraw/zinc/24/69/90/1316246990.db2.gz XIXDQKMLJQBNAL-QGZVFWFLSA-N 1 2 348.491 2.038 20 30 EEEDLO C#CCCCC(=O)NC1(CCOC)CC[NH+](Cc2cscn2)CC1 ZINC001151091239 1316447306 /nfs/dbraw/zinc/44/73/06/1316447306.db2.gz UNLWIJHRZWTAQU-UHFFFAOYSA-N 1 2 349.500 2.434 20 30 EEEDLO C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC001151132869 1316456128 /nfs/dbraw/zinc/45/61/28/1316456128.db2.gz ZURGPGJKTRSHSC-OAHLLOKOSA-N 1 2 346.475 2.003 20 30 EEEDLO CC(C)NC(=O)COc1cccc([NH+]=C(NO)c2ccccc2N)c1 ZINC001212984310 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ZINC001279340400 1323879497 /nfs/dbraw/zinc/87/94/97/1323879497.db2.gz JSMPODBDRAKZMO-BGYRXZFFSA-N 1 2 348.450 2.290 20 30 EEEDLO CN(C)C(=O)c1noc2c1C[N@H+](Cc1c[nH]c3c1cccc3C#N)CC2 ZINC001279746067 1323988915 /nfs/dbraw/zinc/98/89/15/1323988915.db2.gz OJRZTQDLOLCEMI-UHFFFAOYSA-N 1 2 349.394 2.288 20 30 EEEDLO CN(C)C(=O)c1noc2c1C[N@@H+](Cc1c[nH]c3c1cccc3C#N)CC2 ZINC001279746067 1323988918 /nfs/dbraw/zinc/98/89/18/1323988918.db2.gz OJRZTQDLOLCEMI-UHFFFAOYSA-N 1 2 349.394 2.288 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)N1CCC(C)CC1 ZINC001316600809 1324068971 /nfs/dbraw/zinc/06/89/71/1324068971.db2.gz MENJIBVJXJPJHJ-SJORKVTESA-N 1 2 349.519 2.378 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)N1CCC(C)CC1 ZINC001316600809 1324068976 /nfs/dbraw/zinc/06/89/76/1324068976.db2.gz MENJIBVJXJPJHJ-SJORKVTESA-N 1 2 349.519 2.378 20 30 EEEDLO CC(C)C#CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nc(C(C)C)no2)C1 ZINC001207992263 1324251168 /nfs/dbraw/zinc/25/11/68/1324251168.db2.gz HSJQOEQIIKWTCH-LSDHHAIUSA-N 1 2 332.448 2.494 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)cc(C)c1 ZINC001316607102 1324618427 /nfs/dbraw/zinc/61/84/27/1324618427.db2.gz RAWVMOYLNOWNCJ-AEFFLSMTSA-N 1 2 343.471 2.140 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)cc(C)c1 ZINC001316607102 1324618433 /nfs/dbraw/zinc/61/84/33/1324618433.db2.gz RAWVMOYLNOWNCJ-AEFFLSMTSA-N 1 2 343.471 2.140 20 30 EEEDLO CC#CCCCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nc(CC)no2)C1 ZINC001209110622 1324802589 /nfs/dbraw/zinc/80/25/89/1324802589.db2.gz CGUYQYYYQBUVGW-LSDHHAIUSA-N 1 2 332.448 2.467 20 30 EEEDLO CC#CCCCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nc(COC)no2)C1 ZINC001209156779 1324825823 /nfs/dbraw/zinc/82/58/23/1324825823.db2.gz PDGOKVWFWHBRDD-HUUCEWRRSA-N 1 2 348.447 2.051 20 30 EEEDLO C[N@H+](CCCSCC#N)Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 ZINC001308070386 1331562019 /nfs/dbraw/zinc/56/20/19/1331562019.db2.gz HFHMZCGJAOIPNI-NSHDSACASA-N 1 2 347.410 2.481 20 30 EEEDLO C[N@@H+](CCCSCC#N)Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 ZINC001308070386 1331562020 /nfs/dbraw/zinc/56/20/20/1331562020.db2.gz HFHMZCGJAOIPNI-NSHDSACASA-N 1 2 347.410 2.481 20 30 EEEDLO S=C(NC[C@@H]1CCCO1)N[NH+]=Cc1ccccc1N1CCCC1 ZINC001317704852 1332380284 /nfs/dbraw/zinc/38/02/84/1332380284.db2.gz AFOCOLHAGAGEGS-HNNXBMFYSA-N 1 2 332.473 2.264 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1ccc2nc[nH]c2n1 ZINC001320009486 1332809815 /nfs/dbraw/zinc/80/98/15/1332809815.db2.gz KYWZJLDDIDVMJB-UHFFFAOYSA-N 1 2 348.410 2.034 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1ccc2nc[nH]c2n1 ZINC001320009486 1332809816 /nfs/dbraw/zinc/80/98/16/1332809816.db2.gz KYWZJLDDIDVMJB-UHFFFAOYSA-N 1 2 348.410 2.034 20 30 EEEDLO CCOc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)NC1(C#N)CCC1)CC2 ZINC001320624519 1332923394 /nfs/dbraw/zinc/92/33/94/1332923394.db2.gz FKPRYPXUXJYVFS-AWEZNQCLSA-N 1 2 327.428 2.394 20 30 EEEDLO CCOc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)NC1(C#N)CCC1)CC2 ZINC001320624519 1332923396 /nfs/dbraw/zinc/92/33/96/1332923396.db2.gz FKPRYPXUXJYVFS-AWEZNQCLSA-N 1 2 327.428 2.394 20 30 EEEDLO Cc1cc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c(C#N)cn1 ZINC001328011141 1334378556 /nfs/dbraw/zinc/37/85/56/1334378556.db2.gz WEEAGVHKCWREBU-UHFFFAOYSA-N 1 2 337.383 2.492 20 30 EEEDLO Cc1[nH]c[nH+]c1CN=Nc1ccc(-c2nn[nH]n2)cc1C(F)(F)F ZINC001609455245 1351985137 /nfs/dbraw/zinc/98/51/37/1351985137.db2.gz HAMWGTLLTRMBQT-UHFFFAOYSA-N 1 2 336.281 2.363 20 30 EEEDLO C=CC1CCN(c2nnc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)n2C)CC1 ZINC001338507728 1336870013 /nfs/dbraw/zinc/87/00/13/1336870013.db2.gz WMHHYDDAJAUNQL-JKSUJKDBSA-N 1 2 331.464 2.143 20 30 EEEDLO C=CC1CCN(c2nnc([C@H]3C[N@H+]4CCCC[C@H]4CO3)n2C)CC1 ZINC001338507728 1336870016 /nfs/dbraw/zinc/87/00/16/1336870016.db2.gz WMHHYDDAJAUNQL-JKSUJKDBSA-N 1 2 331.464 2.143 20 30 EEEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001339707667 1337058020 /nfs/dbraw/zinc/05/80/20/1337058020.db2.gz RXJPMOCFABEUBR-SJLPKXTDSA-N 1 2 342.439 2.031 20 30 EEEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001339707667 1337058025 /nfs/dbraw/zinc/05/80/25/1337058025.db2.gz RXJPMOCFABEUBR-SJLPKXTDSA-N 1 2 342.439 2.031 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)s3)n2CC)CC1 ZINC001339721918 1337060404 /nfs/dbraw/zinc/06/04/04/1337060404.db2.gz LRPPMYQXMUZDHZ-UHFFFAOYSA-N 1 2 349.891 2.359 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001339879971 1337089767 /nfs/dbraw/zinc/08/97/67/1337089767.db2.gz IYFKXVAYDRBUSM-CQSZACIVSA-N 1 2 344.463 2.040 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3cc4ccccc4[nH]3)n2CC)CC1 ZINC001340903183 1337264826 /nfs/dbraw/zinc/26/48/26/1337264826.db2.gz MTIJMGGNYRMAQS-UHFFFAOYSA-N 1 2 334.427 2.202 20 30 EEEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001341868485 1337303025 /nfs/dbraw/zinc/30/30/25/1337303025.db2.gz PSHISEDMVORPHJ-OKILXGFUSA-N 1 2 326.448 2.271 20 30 EEEDLO C=CC1CCN(c2nnc([C@@H]3CCC[N@H+]3C)n2C[C@@H]2CCOC2)CC1 ZINC001345415519 1337444849 /nfs/dbraw/zinc/44/48/49/1337444849.db2.gz VDLFWJRNDABENB-IRXDYDNUSA-N 1 2 345.491 2.484 20 30 EEEDLO C=CC1CCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2C[C@@H]2CCOC2)CC1 ZINC001345415519 1337444850 /nfs/dbraw/zinc/44/48/50/1337444850.db2.gz VDLFWJRNDABENB-IRXDYDNUSA-N 1 2 345.491 2.484 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)C[C@@H](C)COC)CC1 ZINC001479894150 1337529899 /nfs/dbraw/zinc/52/98/99/1337529899.db2.gz IDVAOAWZZLDLAE-GFCCVEGCSA-N 1 2 347.297 2.490 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)ccn12 ZINC000848780016 1338761294 /nfs/dbraw/zinc/76/12/94/1338761294.db2.gz FMVAJLNQUMBWOZ-SCLBCKFNSA-N 1 2 342.399 2.243 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CCC[N@@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC001566617005 1342581708 /nfs/dbraw/zinc/58/17/08/1342581708.db2.gz UEMPXQJUJRDXEY-AWEZNQCLSA-N 1 2 347.390 2.250 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CCC[N@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC001566617005 1342581711 /nfs/dbraw/zinc/58/17/11/1342581711.db2.gz UEMPXQJUJRDXEY-AWEZNQCLSA-N 1 2 347.390 2.250 20 30 EEEDLO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC001602823706 1350592051 /nfs/dbraw/zinc/59/20/51/1350592051.db2.gz MBJPREPPMKDZKX-ZYHUDNBSSA-N 1 2 330.392 2.054 20 30 EEEDLO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC001602823706 1350592055 /nfs/dbraw/zinc/59/20/55/1350592055.db2.gz MBJPREPPMKDZKX-ZYHUDNBSSA-N 1 2 330.392 2.054 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC001660818183 1354543813 /nfs/dbraw/zinc/54/38/13/1354543813.db2.gz CATOSUSPFXSTKR-KBXCAEBGSA-N 1 2 338.398 2.373 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001660818183 1354543819 /nfs/dbraw/zinc/54/38/19/1354543819.db2.gz CATOSUSPFXSTKR-KBXCAEBGSA-N 1 2 338.398 2.373 20 30 EEEDLO C[C@@H](CNC(=O)c1n[nH]c2ccccc21)[NH2+]Cc1ccccc1C#N ZINC001662406920 1354792429 /nfs/dbraw/zinc/79/24/29/1354792429.db2.gz ZAPWTYKYFUAASH-ZDUSSCGKSA-N 1 2 333.395 2.343 20 30 EEEDLO O=C(C(F)C(F)(F)F)N1CC[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001662496809 1354801707 /nfs/dbraw/zinc/80/17/07/1354801707.db2.gz YVYYYWVMKIHRCJ-KBPBESRZSA-N 1 2 346.299 2.268 20 30 EEEDLO O=C([C@H](F)C(F)(F)F)N1CC[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001662496809 1354801713 /nfs/dbraw/zinc/80/17/13/1354801713.db2.gz YVYYYWVMKIHRCJ-KBPBESRZSA-N 1 2 346.299 2.268 20 30 EEEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC001662670898 1354823728 /nfs/dbraw/zinc/82/37/28/1354823728.db2.gz BFNLEVRPRRFMJL-UHFFFAOYSA-N 1 2 344.371 2.132 20 30 EEEDLO C[C@@H]1C[NH+]=C(NN=Cc2c(Cl)nc(Cl)n2-c2ccccc2)N1 ZINC000814897120 1367775611 /nfs/dbraw/zinc/77/56/11/1367775611.db2.gz DOOPQCQGIBQDSL-SECBINFHSA-N 1 2 337.214 2.450 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2noc(CC)n2)C12CCC2 ZINC001203275298 1368193094 /nfs/dbraw/zinc/19/30/94/1368193094.db2.gz SCSQURUYPGYBOX-OLZOCXBDSA-N 1 2 332.448 2.361 20 30 EEEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3cnns3)C[C@H]21 ZINC001188807586 1368320277 /nfs/dbraw/zinc/32/02/77/1368320277.db2.gz FZBOMZOOTDTEIA-GOEBONIOSA-N 1 2 332.473 2.155 20 30 EEEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cnns3)C[C@H]21 ZINC001188807586 1368320281 /nfs/dbraw/zinc/32/02/81/1368320281.db2.gz FZBOMZOOTDTEIA-GOEBONIOSA-N 1 2 332.473 2.155 20 30 EEEDLO N#Cc1cccc(C(=O)N(c2ccncc2F)C2CC[NH2+]CC2)c1O ZINC001193646294 1368467292 /nfs/dbraw/zinc/46/72/92/1368467292.db2.gz FTMBCZPNPAZOKX-UHFFFAOYSA-N 1 2 340.358 2.197 20 30 EEEDLO COC[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001195233642 1368508490 /nfs/dbraw/zinc/50/84/90/1368508490.db2.gz XWZIIHZSFNIVFY-AWEZNQCLSA-N 1 2 333.407 2.014 20 30 EEEDLO COC[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001195233642 1368508495 /nfs/dbraw/zinc/50/84/95/1368508495.db2.gz XWZIIHZSFNIVFY-AWEZNQCLSA-N 1 2 333.407 2.014 20 30 EEEDLO CCN(CCn1cc[nH+]c1)S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196671116 1368601995 /nfs/dbraw/zinc/60/19/95/1368601995.db2.gz NCSRGHBLHZFVMO-UHFFFAOYSA-N 1 2 338.820 2.119 20 30 EEEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)c1ccnn1C)c1ccccc1OC ZINC001198595335 1368630325 /nfs/dbraw/zinc/63/03/25/1368630325.db2.gz KQJZCPUKNIDPMQ-CQSZACIVSA-N 1 2 348.834 2.242 20 30 EEEDLO N#CCC1(CON=C(N)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000853685782 1369367287 /nfs/dbraw/zinc/36/72/87/1369367287.db2.gz PGPVRVYJRRGJRD-MRXNPFEDSA-N 1 2 328.416 2.080 20 30 EEEDLO N#CCC1(CON=C(N)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000853685782 1369367295 /nfs/dbraw/zinc/36/72/95/1369367295.db2.gz PGPVRVYJRRGJRD-MRXNPFEDSA-N 1 2 328.416 2.080 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC(CC)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001069597545 1370195068 /nfs/dbraw/zinc/19/50/68/1370195068.db2.gz IFLIVLSSSDMWKV-GOSISDBHSA-N 1 2 346.475 2.373 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(CC)o1)C2 ZINC001072945155 1370789380 /nfs/dbraw/zinc/78/93/80/1370789380.db2.gz VHCBNNWKKLTEIA-QGZVFWFLSA-N 1 2 332.448 2.269 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](Cc1nnc(CC)o1)C2 ZINC001072945155 1370789381 /nfs/dbraw/zinc/78/93/81/1370789381.db2.gz VHCBNNWKKLTEIA-QGZVFWFLSA-N 1 2 332.448 2.269 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC1(C)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001073165298 1370831698 /nfs/dbraw/zinc/83/16/98/1370831698.db2.gz ZPLCNEPHWXHYFO-OAHLLOKOSA-N 1 2 346.475 2.062 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)CC(C)(C)C1CC1)c1nccn12 ZINC001101625214 1371020404 /nfs/dbraw/zinc/02/04/04/1371020404.db2.gz ARZBYNVYUMZHGS-INIZCTEOSA-N 1 2 340.471 2.305 20 30 EEEDLO Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)cs1 ZINC001111741973 1371236550 /nfs/dbraw/zinc/23/65/50/1371236550.db2.gz YLSFJLPYJKJEPN-YJBOKZPZSA-N 1 2 329.469 2.336 20 30 EEEDLO Cc1nc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)cs1 ZINC001111741973 1371236557 /nfs/dbraw/zinc/23/65/57/1371236557.db2.gz YLSFJLPYJKJEPN-YJBOKZPZSA-N 1 2 329.469 2.336 20 30 EEEDLO C=CCOCC[NH2+]C1(CNC(=O)C(F)C(F)(F)F)CCCCC1 ZINC001115545140 1371668635 /nfs/dbraw/zinc/66/86/35/1371668635.db2.gz SNHIQBOPMAMMSA-LBPRGKRZSA-N 1 2 340.361 2.498 20 30 EEEDLO C=CCOCC[NH2+]C1(CNC(=O)[C@H](F)C(F)(F)F)CCCCC1 ZINC001115545140 1371668638 /nfs/dbraw/zinc/66/86/38/1371668638.db2.gz SNHIQBOPMAMMSA-LBPRGKRZSA-N 1 2 340.361 2.498 20 30 EEEDLO CCCc1nc(C[NH2+]C2CC3(CC(NC(=O)C#CC(C)C)C3)C2)no1 ZINC001121077751 1371857435 /nfs/dbraw/zinc/85/74/35/1371857435.db2.gz WEUVRYSZZISSNU-UHFFFAOYSA-N 1 2 344.459 2.199 20 30 EEEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CCCF ZINC001121583964 1371902352 /nfs/dbraw/zinc/90/23/52/1371902352.db2.gz BLDRBGIUYOKXJA-UHFFFAOYSA-N 1 2 334.443 2.353 20 30 EEEDLO CC(C)c1cc(NC[C@@H](O)CN(C)C(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001124192527 1372207636 /nfs/dbraw/zinc/20/76/36/1372207636.db2.gz WOFSWWXAYGHEJU-ZIAGYGMSSA-N 1 2 347.463 2.114 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001125215356 1372229944 /nfs/dbraw/zinc/22/99/44/1372229944.db2.gz COHJVFMTUKRKOF-INIZCTEOSA-N 1 2 348.491 2.260 20 30 EEEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)nc2)Cc2nn(CC3CC3)cc21 ZINC001140541547 1372597834 /nfs/dbraw/zinc/59/78/34/1372597834.db2.gz KZDMQGWKHQVWNM-INIZCTEOSA-N 1 2 337.427 2.306 20 30 EEEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)nc2)Cc2nn(CC3CC3)cc21 ZINC001140541547 1372597840 /nfs/dbraw/zinc/59/78/40/1372597840.db2.gz KZDMQGWKHQVWNM-INIZCTEOSA-N 1 2 337.427 2.306 20 30 EEEDLO Cc1cc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)n[nH]1 ZINC001203075598 1372705550 /nfs/dbraw/zinc/70/55/50/1372705550.db2.gz LSTZZMPSIYNAIW-IBGZPJMESA-N 1 2 335.411 2.219 20 30 EEEDLO COC(=O)C1(C#N)CC[NH+](Cc2cnc3c(cnn3C(C)C)c2)CC1 ZINC001365295592 1373694791 /nfs/dbraw/zinc/69/47/91/1373694791.db2.gz LCLUFVWRYFTYIO-UHFFFAOYSA-N 1 2 341.415 2.291 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1cc(C)on1 ZINC001366664132 1373994912 /nfs/dbraw/zinc/99/49/12/1373994912.db2.gz XAEDRLCDHGQFGI-CYBMUJFWSA-N 1 2 342.237 2.015 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cc(C)on1 ZINC001366664132 1373994916 /nfs/dbraw/zinc/99/49/16/1373994916.db2.gz XAEDRLCDHGQFGI-CYBMUJFWSA-N 1 2 342.237 2.015 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(C(F)F)n(C)n1)C1CC1 ZINC001366745853 1374023238 /nfs/dbraw/zinc/02/32/38/1374023238.db2.gz VMPUWIIRCDGBPV-UHFFFAOYSA-N 1 2 332.782 2.304 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(C(F)F)n(C)n1)C1CC1 ZINC001366745853 1374023241 /nfs/dbraw/zinc/02/32/41/1374023241.db2.gz VMPUWIIRCDGBPV-UHFFFAOYSA-N 1 2 332.782 2.304 20 30 EEEDLO Cc1ccc(-c2nc(C[N@@H+](C)CCNC(=O)[C@H](C)C#N)co2)cc1 ZINC001371932617 1375677652 /nfs/dbraw/zinc/67/76/52/1375677652.db2.gz GGPHHHHAOGYWCD-CQSZACIVSA-N 1 2 326.400 2.358 20 30 EEEDLO Cc1ccc(-c2nc(C[N@H+](C)CCNC(=O)[C@H](C)C#N)co2)cc1 ZINC001371932617 1375677654 /nfs/dbraw/zinc/67/76/54/1375677654.db2.gz GGPHHHHAOGYWCD-CQSZACIVSA-N 1 2 326.400 2.358 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1nc(C)cc1C(F)F ZINC001372508168 1376046431 /nfs/dbraw/zinc/04/64/31/1376046431.db2.gz FKZBRJWVCRQKFF-GFCCVEGCSA-N 1 2 346.809 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1nc(C)cc1C(F)F ZINC001372508168 1376046437 /nfs/dbraw/zinc/04/64/37/1376046437.db2.gz FKZBRJWVCRQKFF-GFCCVEGCSA-N 1 2 346.809 2.462 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)CC[C@@H]3CCCO3)C2)c(F)c1 ZINC001373498061 1376535268 /nfs/dbraw/zinc/53/52/68/1376535268.db2.gz OLOXEFOBUYCZBE-KRWDZBQOSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)C[C@@H]3CCCCO3)CC2)c1 ZINC001374061778 1376574997 /nfs/dbraw/zinc/57/49/97/1376574997.db2.gz AFGKGJLCZAEQRU-SFHVURJKSA-N 1 2 327.428 2.162 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CCCC(=O)NCC ZINC001390159936 1388470824 /nfs/dbraw/zinc/47/08/24/1388470824.db2.gz SUSXGXONOXUKGL-AWEZNQCLSA-N 1 2 329.872 2.016 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CCCC(=O)NCC ZINC001390159936 1388470828 /nfs/dbraw/zinc/47/08/28/1388470828.db2.gz SUSXGXONOXUKGL-AWEZNQCLSA-N 1 2 329.872 2.016 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)COc2cc(C)on2)[C@@H]1C ZINC001379639510 1380788968 /nfs/dbraw/zinc/78/89/68/1380788968.db2.gz FOVHMSCMBMJWEO-QWHCGFSZSA-N 1 2 327.812 2.083 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)COc2cc(C)on2)[C@@H]1C ZINC001379639510 1380788975 /nfs/dbraw/zinc/78/89/75/1380788975.db2.gz FOVHMSCMBMJWEO-QWHCGFSZSA-N 1 2 327.812 2.083 20 30 EEEDLO O=C(N[C@H]1C[C@H]([NH2+]CC(F)(F)C(F)F)C1)C1(C(F)(F)F)CC1 ZINC001752665557 1406331138 /nfs/dbraw/zinc/33/11/38/1406331138.db2.gz QYXBNJSOICFMII-LJGSYFOKSA-N 1 2 336.251 2.466 20 30 EEEDLO CCCn1ncnc1C[N@@H+]1CCC[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001752780836 1406393718 /nfs/dbraw/zinc/39/37/18/1406393718.db2.gz GRYSGXVARXFTLH-MRXNPFEDSA-N 1 2 345.491 2.066 20 30 EEEDLO CCCn1ncnc1C[N@H+]1CCC[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001752780836 1406393732 /nfs/dbraw/zinc/39/37/32/1406393732.db2.gz GRYSGXVARXFTLH-MRXNPFEDSA-N 1 2 345.491 2.066 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCc2nc(C(C)C)no2)C1 ZINC001394242021 1390658935 /nfs/dbraw/zinc/65/89/35/1390658935.db2.gz IRGNLJOSFPTZNY-LBPRGKRZSA-N 1 2 340.855 2.315 20 30 EEEDLO CCc1noc(C)c1C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001492852174 1390961467 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CCOCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001753099387 1406684655 /nfs/dbraw/zinc/68/46/55/1406684655.db2.gz SNRLUHPNHPKZNF-KRWDZBQOSA-N 1 2 333.407 2.205 20 30 EEEDLO CCOCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001753099387 1406684661 /nfs/dbraw/zinc/68/46/61/1406684661.db2.gz SNRLUHPNHPKZNF-KRWDZBQOSA-N 1 2 333.407 2.205 20 30 EEEDLO C=CCCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C)c2)C1 ZINC001753434739 1406741251 /nfs/dbraw/zinc/74/12/51/1406741251.db2.gz XUCQPOBNRUDKPP-QGZVFWFLSA-N 1 2 329.444 2.432 20 30 EEEDLO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C)c2)C1 ZINC001753434739 1406741263 /nfs/dbraw/zinc/74/12/63/1406741263.db2.gz XUCQPOBNRUDKPP-QGZVFWFLSA-N 1 2 329.444 2.432 20 30 EEEDLO C[C@@H](CNC(=O)C(F)C(F)(F)F)C[NH2+]Cc1ccc(C#N)s1 ZINC001401109479 1396943924 /nfs/dbraw/zinc/94/39/24/1396943924.db2.gz ULSGIJAZLLGPGP-KCJUWKMLSA-N 1 2 337.342 2.362 20 30 EEEDLO C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)C[NH2+]Cc1ccc(C#N)s1 ZINC001401109479 1396943931 /nfs/dbraw/zinc/94/39/31/1396943931.db2.gz ULSGIJAZLLGPGP-KCJUWKMLSA-N 1 2 337.342 2.362 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(C)C1C[NH+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC001754580547 1406930024 /nfs/dbraw/zinc/93/00/24/1406930024.db2.gz DIIDNJITGGCDAP-QUCCMNQESA-N 1 2 348.462 2.474 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H](C)Cc1ccccc1)O2 ZINC001755056376 1407062799 /nfs/dbraw/zinc/06/27/99/1407062799.db2.gz BAQQEZIOVUNNLN-WMZOPIPTSA-N 1 2 328.456 2.401 20 30 EEEDLO COCC[N@H+](CCNC(=O)[C@@H]1CC12CC2)Cc1ccc(C#N)cc1F ZINC001423650133 1400721516 /nfs/dbraw/zinc/72/15/16/1400721516.db2.gz SLJWIXFLMQDQNJ-INIZCTEOSA-N 1 2 345.418 2.062 20 30 EEEDLO COCC[N@@H+](CCNC(=O)[C@@H]1CC12CC2)Cc1ccc(C#N)cc1F ZINC001423650133 1400721519 /nfs/dbraw/zinc/72/15/19/1400721519.db2.gz SLJWIXFLMQDQNJ-INIZCTEOSA-N 1 2 345.418 2.062 20 30 EEEDLO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C(F)C(F)(F)F)C(C)(C)C1 ZINC001755139073 1407149915 /nfs/dbraw/zinc/14/99/15/1407149915.db2.gz SRTXBRAHUFLKLX-NEPJUHHUSA-N 1 2 340.361 2.306 20 30 EEEDLO C=CCOCC[N@H+]1CC[C@@H](NC(=O)C(F)C(F)(F)F)C(C)(C)C1 ZINC001755139073 1407149917 /nfs/dbraw/zinc/14/99/17/1407149917.db2.gz SRTXBRAHUFLKLX-NEPJUHHUSA-N 1 2 340.361 2.306 20 30 EEEDLO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C(C)(C)C1 ZINC001755139073 1407149920 /nfs/dbraw/zinc/14/99/20/1407149920.db2.gz SRTXBRAHUFLKLX-NEPJUHHUSA-N 1 2 340.361 2.306 20 30 EEEDLO C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C(C)(C)C1 ZINC001755139073 1407149924 /nfs/dbraw/zinc/14/99/24/1407149924.db2.gz SRTXBRAHUFLKLX-NEPJUHHUSA-N 1 2 340.361 2.306 20 30 EEEDLO C=C(C)CCC(=O)NC1(CCO)C[NH+](Cc2cccc(N(C)C)c2)C1 ZINC001755333692 1407333044 /nfs/dbraw/zinc/33/30/44/1407333044.db2.gz NLVRELYCEDFGFJ-UHFFFAOYSA-N 1 2 345.487 2.162 20 30 EEEDLO Cc1noc(C[N@@H+]2CCCCC[C@H]2CNC(=O)C#CC(C)(C)C)n1 ZINC001755363148 1407360862 /nfs/dbraw/zinc/36/08/62/1407360862.db2.gz CQROCKFMGWGXDD-HNNXBMFYSA-N 1 2 332.448 2.288 20 30 EEEDLO Cc1noc(C[N@H+]2CCCCC[C@H]2CNC(=O)C#CC(C)(C)C)n1 ZINC001755363148 1407360868 /nfs/dbraw/zinc/36/08/68/1407360868.db2.gz CQROCKFMGWGXDD-HNNXBMFYSA-N 1 2 332.448 2.288 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001735387247 1406046164 /nfs/dbraw/zinc/04/61/64/1406046164.db2.gz XUHSELJKUJKQPI-LSDHHAIUSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001735387247 1406046173 /nfs/dbraw/zinc/04/61/73/1406046173.db2.gz XUHSELJKUJKQPI-LSDHHAIUSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCCOC2CCOCC2)C1 ZINC001753447832 1406114077 /nfs/dbraw/zinc/11/40/77/1406114077.db2.gz HMPVKTFUKDGSDP-HNNXBMFYSA-N 1 2 344.883 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCCOC2CCOCC2)C1 ZINC001753447832 1406114080 /nfs/dbraw/zinc/11/40/80/1406114080.db2.gz HMPVKTFUKDGSDP-HNNXBMFYSA-N 1 2 344.883 2.247 20 30 EEEDLO CCCc1noc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C#CC(C)(C)C)C2)n1 ZINC001755678439 1407726387 /nfs/dbraw/zinc/72/63/87/1407726387.db2.gz KGVDJVGVXYBKDH-KBPBESRZSA-N 1 2 332.448 2.151 20 30 EEEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1ncccn1)CC2 ZINC001755697907 1407745198 /nfs/dbraw/zinc/74/51/98/1407745198.db2.gz CVQAHEYEXHXAMZ-APWZRJJASA-N 1 2 326.444 2.283 20 30 EEEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1ncccn1)CC2 ZINC001755697907 1407745203 /nfs/dbraw/zinc/74/52/03/1407745203.db2.gz CVQAHEYEXHXAMZ-APWZRJJASA-N 1 2 326.444 2.283 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1nncn1C)CC2 ZINC001755702054 1407751937 /nfs/dbraw/zinc/75/19/37/1407751937.db2.gz ODLMJSNYVKZROT-LPHOPBHVSA-N 1 2 343.475 2.197 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1nncn1C)CC2 ZINC001755702054 1407751942 /nfs/dbraw/zinc/75/19/42/1407751942.db2.gz ODLMJSNYVKZROT-LPHOPBHVSA-N 1 2 343.475 2.197 20 30 EEEDLO C=CCC1(C(=O)N(C)C[C@H](O)C[N@H+](C)Cc2ccon2)CCCC1 ZINC001755807755 1407861182 /nfs/dbraw/zinc/86/11/82/1407861182.db2.gz KCHWDZPAPBJGFJ-MRXNPFEDSA-N 1 2 335.448 2.062 20 30 EEEDLO C=CCC1(C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc2ccon2)CCCC1 ZINC001755807755 1407861186 /nfs/dbraw/zinc/86/11/86/1407861186.db2.gz KCHWDZPAPBJGFJ-MRXNPFEDSA-N 1 2 335.448 2.062 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H](C[NH2+]Cc1noc(C(C)C)n1)C(C)(C)C ZINC001755821233 1407871927 /nfs/dbraw/zinc/87/19/27/1407871927.db2.gz DWJDUQGWXGCTBX-AWEZNQCLSA-N 1 2 334.464 2.473 20 30 EEEDLO C=CCC1(C(=O)N(C)C[C@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001755923694 1407998048 /nfs/dbraw/zinc/99/80/48/1407998048.db2.gz CJEOUYYSZZJUDG-MRXNPFEDSA-N 1 2 344.459 2.148 20 30 EEEDLO C=CCCCC(=O)N1CC2(C1)CCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001756238356 1408248265 /nfs/dbraw/zinc/24/82/65/1408248265.db2.gz YSKMLVFOTZHAMY-UHFFFAOYSA-N 1 2 344.459 2.150 20 30 EEEDLO C=CCCC(=O)N(CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)C(C)C ZINC001756691046 1409205493 /nfs/dbraw/zinc/20/54/93/1409205493.db2.gz UQUWXSUVYIMPQX-UHFFFAOYSA-N 1 2 334.464 2.349 20 30 EEEDLO C=CCCC(=O)N[C@H](C)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001756730353 1409263262 /nfs/dbraw/zinc/26/32/62/1409263262.db2.gz 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C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001757267491 1409605082 /nfs/dbraw/zinc/60/50/82/1409605082.db2.gz XXJLBEGQLWLSDJ-DJIMGWMZSA-N 1 2 346.475 2.488 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001757413654 1409702023 /nfs/dbraw/zinc/70/20/23/1409702023.db2.gz PUJKVPYPLLFNOX-WBVHZDCISA-N 1 2 346.475 2.062 20 30 EEEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H](C)n2cc[nH+]c2)ccc1OC ZINC001771605222 1409876998 /nfs/dbraw/zinc/87/69/98/1409876998.db2.gz VRDWHFGUBRHHMV-ZFWWWQNUSA-N 1 2 342.399 2.450 20 30 EEEDLO C=CCOc1ccc(C(=O)NCCN(C)c2cc[nH+]c(C)n2)cc1 ZINC001100398778 1410648903 /nfs/dbraw/zinc/64/89/03/1410648903.db2.gz VIGSRLIOHZHWSQ-UHFFFAOYSA-N 1 2 326.400 2.216 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@](C)(CNc1cc[nH+]c(C)n1)C1CC1 ZINC001103580558 1410731720 /nfs/dbraw/zinc/73/17/20/1410731720.db2.gz VCJGNSWOYGVUPA-GJYPPUQNSA-N 1 2 344.459 2.463 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001104164565 1410798515 /nfs/dbraw/zinc/79/85/15/1410798515.db2.gz XNUYRUHGOQBXGO-JSGCOSHPSA-N 1 2 334.468 2.013 20 30 EEEDLO C#CCC1(C(=O)N2CCC[C@H](N(C)c3cc[nH+]c(C)n3)C2)CCC1 ZINC001098710149 782527832 /nfs/dbraw/zinc/52/78/32/782527832.db2.gz USSTUPVFPFNQCB-INIZCTEOSA-N 1 2 326.444 2.406 20 30 EEEDLO C=CCc1ccc(OCC(=O)O[C@H](C)C[NH+]2CCOCC2)c(OC)c1 ZINC000784920032 757017423 /nfs/dbraw/zinc/01/74/23/757017423.db2.gz XRTYDAQUEXHIJN-OAHLLOKOSA-N 1 2 349.427 2.066 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CN(c2cc(C)[nH+]c(CC)n2)CCO1 ZINC001104340320 759568845 /nfs/dbraw/zinc/56/88/45/759568845.db2.gz ZDSOPDXXRUNDCI-HOCLYGCPSA-N 1 2 346.475 2.271 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CN(c2cc(C)[nH+]c(CC)n2)CCO1 ZINC001104343048 759593154 /nfs/dbraw/zinc/59/31/54/759593154.db2.gz JHVTWAWKYUBCGN-HNNXBMFYSA-N 1 2 332.448 2.025 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)c3ccc(Cl)s3)[C@H]2C1 ZINC001083243811 760358962 /nfs/dbraw/zinc/35/89/62/760358962.db2.gz VQDOKAPICQXUGH-RWMBFGLXSA-N 1 2 338.860 2.050 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)c3ccc(Cl)s3)[C@H]2C1 ZINC001083243811 760358971 /nfs/dbraw/zinc/35/89/71/760358971.db2.gz VQDOKAPICQXUGH-RWMBFGLXSA-N 1 2 338.860 2.050 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4ccccc4c3)[C@H]2C1 ZINC001083257715 760969588 /nfs/dbraw/zinc/96/95/88/760969588.db2.gz RHSLPKWJJPTWBA-VQTJNVASSA-N 1 2 334.419 2.388 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4ccccc4c3)[C@H]2C1 ZINC001083257715 760969593 /nfs/dbraw/zinc/96/95/93/760969593.db2.gz RHSLPKWJJPTWBA-VQTJNVASSA-N 1 2 334.419 2.388 20 30 EEEDLO CC#CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1c1ccccc1 ZINC001211605794 761069408 /nfs/dbraw/zinc/06/94/08/761069408.db2.gz YOJVWDDWESIWAC-ZNMIVQPWSA-N 1 2 342.336 2.494 20 30 EEEDLO CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1c1ccccc1 ZINC001211605794 761069419 /nfs/dbraw/zinc/06/94/19/761069419.db2.gz YOJVWDDWESIWAC-ZNMIVQPWSA-N 1 2 342.336 2.494 20 30 EEEDLO CC1(C)[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@H]2CCCN(CC#N)[C@H]21 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325.416 2.307 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000918187924 768968637 /nfs/dbraw/zinc/96/86/37/768968637.db2.gz DVSWRGOKULRWKJ-CYBMUJFWSA-N 1 2 336.395 2.116 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000918187924 768968644 /nfs/dbraw/zinc/96/86/44/768968644.db2.gz DVSWRGOKULRWKJ-CYBMUJFWSA-N 1 2 336.395 2.116 20 30 EEEDLO CC(C)[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)Nc1ncccc1C#N ZINC001105291719 769600498 /nfs/dbraw/zinc/60/04/98/769600498.db2.gz POHQJHVPWBRFDX-BBRMVZONSA-N 1 2 340.431 2.108 20 30 EEEDLO CC(C)[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)Nc1ncccc1C#N ZINC001105291719 769600503 /nfs/dbraw/zinc/60/05/03/769600503.db2.gz POHQJHVPWBRFDX-BBRMVZONSA-N 1 2 340.431 2.108 20 30 EEEDLO C[C@H](C[C@@H](C)Nc1cccc(F)c1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001089490134 769807989 /nfs/dbraw/zinc/80/79/89/769807989.db2.gz NGSLQNCSXJQUPD-VXGBXAGGSA-N 1 2 329.379 2.358 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(C)n3CC)C[C@H]2C)C1 ZINC000942602195 782833497 /nfs/dbraw/zinc/83/34/97/782833497.db2.gz FNNYKSCTAQRCAJ-GDBMZVCRSA-N 1 2 345.491 2.289 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(C)n3CC)C[C@H]2C)C1 ZINC000942602195 782833503 /nfs/dbraw/zinc/83/35/03/782833503.db2.gz FNNYKSCTAQRCAJ-GDBMZVCRSA-N 1 2 345.491 2.289 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031679454 770913622 /nfs/dbraw/zinc/91/36/22/770913622.db2.gz AVNNSBSVFQYNBD-MOPGFXCFSA-N 1 2 339.439 2.087 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nncs3)CC[C@@H]2C1 ZINC001088092956 782896280 /nfs/dbraw/zinc/89/62/80/782896280.db2.gz DGAMNKJEBPYHPQ-JKIFEVAISA-N 1 2 334.489 2.421 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nncs3)CC[C@@H]2C1 ZINC001088092956 782896288 /nfs/dbraw/zinc/89/62/88/782896288.db2.gz DGAMNKJEBPYHPQ-JKIFEVAISA-N 1 2 334.489 2.421 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnon4)CC[C@@H]3C2)CC1 ZINC001088093366 782900201 /nfs/dbraw/zinc/90/02/01/782900201.db2.gz UGEXXAOJCKIRHD-CVEARBPZSA-N 1 2 330.432 2.096 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4cnon4)CC[C@@H]3C2)CC1 ZINC001088093366 782900205 /nfs/dbraw/zinc/90/02/05/782900205.db2.gz UGEXXAOJCKIRHD-CVEARBPZSA-N 1 2 330.432 2.096 20 30 EEEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)cc(C)n1 ZINC001031699103 773403736 /nfs/dbraw/zinc/40/37/36/773403736.db2.gz KCGNTMYBHWVPCB-UHFFFAOYSA-N 1 2 334.423 2.432 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnc(OC(C)C)cn1 ZINC001027882899 773897212 /nfs/dbraw/zinc/89/72/12/773897212.db2.gz CELWIIRZZLGOHN-ZDUSSCGKSA-N 1 2 338.839 2.211 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(OC(C)C)cn1 ZINC001027882899 773897220 /nfs/dbraw/zinc/89/72/20/773897220.db2.gz CELWIIRZZLGOHN-ZDUSSCGKSA-N 1 2 338.839 2.211 20 30 EEEDLO COCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131734743 783147640 /nfs/dbraw/zinc/14/76/40/783147640.db2.gz KMRPSATVIRFKDB-SUMWQHHRSA-N 1 2 333.407 2.203 20 30 EEEDLO COCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131734743 783147646 /nfs/dbraw/zinc/14/76/46/783147646.db2.gz KMRPSATVIRFKDB-SUMWQHHRSA-N 1 2 333.407 2.203 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)c1nc(C)no1 ZINC001027937925 774679098 /nfs/dbraw/zinc/67/90/98/774679098.db2.gz XYAZCSSHPJLGGR-DZGCQCFKSA-N 1 2 343.431 2.321 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)c1nc(C)no1 ZINC001027937925 774679103 /nfs/dbraw/zinc/67/91/03/774679103.db2.gz XYAZCSSHPJLGGR-DZGCQCFKSA-N 1 2 343.431 2.321 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)N(CC)c1[nH+]cnc2c1cnn2C ZINC001089757674 774912259 /nfs/dbraw/zinc/91/22/59/774912259.db2.gz LSFJJXBASXUNIV-CYBMUJFWSA-N 1 2 344.463 2.297 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCC1(F)F ZINC001031760701 775077859 /nfs/dbraw/zinc/07/78/59/775077859.db2.gz MYUJKQJCKVPEFJ-INIZCTEOSA-N 1 2 336.357 2.271 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cc2c[nH]ccc-2n1 ZINC001031768587 775231159 /nfs/dbraw/zinc/23/11/59/775231159.db2.gz IPWZURNCIHFGLU-UHFFFAOYSA-N 1 2 344.418 2.276 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)C[C@H]2CCOC2)CC1 ZINC000980878950 775912425 /nfs/dbraw/zinc/91/24/25/775912425.db2.gz GINVASKRSMLXGM-MRXNPFEDSA-N 1 2 327.428 2.019 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[C@H]2CCOC2)CC1 ZINC000980878950 775912438 /nfs/dbraw/zinc/91/24/38/775912438.db2.gz GINVASKRSMLXGM-MRXNPFEDSA-N 1 2 327.428 2.019 20 30 EEEDLO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3C#N)CC2)ncn1 ZINC000980989813 776280306 /nfs/dbraw/zinc/28/03/06/776280306.db2.gz KUMMOSXPDDNDCQ-UHFFFAOYSA-N 1 2 335.411 2.005 20 30 EEEDLO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)ncn1 ZINC000980989813 776280314 /nfs/dbraw/zinc/28/03/14/776280314.db2.gz KUMMOSXPDDNDCQ-UHFFFAOYSA-N 1 2 335.411 2.005 20 30 EEEDLO C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000981033391 776372039 /nfs/dbraw/zinc/37/20/39/776372039.db2.gz KIAVWKAYAKVMLX-YOEHRIQHSA-N 1 2 347.484 2.469 20 30 EEEDLO 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EEEDLO C#Cc1cncc(C(=O)N2CCC3(C[NH+](CC(=C)Cl)C3)CC2)c1 ZINC001035790884 785136384 /nfs/dbraw/zinc/13/63/84/785136384.db2.gz XNKJBMOUXINGJQ-UHFFFAOYSA-N 1 2 329.831 2.353 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1Cc3ccncc3C1)CC2 ZINC001035795491 785145762 /nfs/dbraw/zinc/14/57/62/785145762.db2.gz UNEKPMQROYRGOY-MRXNPFEDSA-N 1 2 345.874 2.473 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)COc1cccnc1)CC2 ZINC001035819141 785172034 /nfs/dbraw/zinc/17/20/34/785172034.db2.gz HGJLSBCGWRMRDD-UHFFFAOYSA-N 1 2 335.835 2.137 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3coc(C)c3)CC2)C1 ZINC001105703303 785653596 /nfs/dbraw/zinc/65/35/96/785653596.db2.gz WRCMKJXPUOHFTN-UHFFFAOYSA-N 1 2 348.443 2.096 20 30 EEEDLO CCc1nnc(C[NH+]2CCC3(CCN(C(=O)[C@H](C)C#N)C3)CC2)s1 ZINC001040644079 785766491 /nfs/dbraw/zinc/76/64/91/785766491.db2.gz LUVLFUDBENHUNR-CYBMUJFWSA-N 1 2 347.488 2.075 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001078995593 785930597 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30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ccc(Cl)nc3)C[C@@H]2O)C1 ZINC001090552813 786874063 /nfs/dbraw/zinc/87/40/63/786874063.db2.gz GFTNOCKUOPZZMB-GJZGRUSLSA-N 1 2 349.862 2.143 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(Cl)nc3)C[C@@H]2O)C1 ZINC001090552813 786874074 /nfs/dbraw/zinc/87/40/74/786874074.db2.gz GFTNOCKUOPZZMB-GJZGRUSLSA-N 1 2 349.862 2.143 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)[C@H](O)C1 ZINC001090575289 787028637 /nfs/dbraw/zinc/02/86/37/787028637.db2.gz DSZQBVUZFGBSJW-CHWSQXEVSA-N 1 2 348.752 2.021 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)[C@H](O)C1 ZINC001090575289 787028644 /nfs/dbraw/zinc/02/86/44/787028644.db2.gz DSZQBVUZFGBSJW-CHWSQXEVSA-N 1 2 348.752 2.021 20 30 EEEDLO CN(CCCNc1ccc(C#N)nc1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001109613057 805751808 /nfs/dbraw/zinc/75/18/08/805751808.db2.gz GQMGFNBKUGWXSS-HNNXBMFYSA-N 1 2 338.415 2.057 20 30 EEEDLO C=CCCC(=O)N[C@H]1C[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C12CCC2 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/nfs/dbraw/zinc/70/58/42/787705842.db2.gz CUTAPGHDSHNDLO-SRCQZFHVSA-N 1 2 346.475 2.324 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001062314953 787873877 /nfs/dbraw/zinc/87/38/77/787873877.db2.gz FATVBEVCQMKHSQ-JKSUJKDBSA-N 1 2 346.475 2.062 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3ccn(C)c3c2)[C@@H](O)C1 ZINC001090706112 787888077 /nfs/dbraw/zinc/88/80/77/787888077.db2.gz UBOPNBQLJRKPSX-RDJZCZTQSA-N 1 2 347.846 2.096 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3ccn(C)c3c2)[C@@H](O)C1 ZINC001090706112 787888084 /nfs/dbraw/zinc/88/80/84/787888084.db2.gz UBOPNBQLJRKPSX-RDJZCZTQSA-N 1 2 347.846 2.096 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2oc(CC)cc2C)[C@@H](O)C1 ZINC001090726273 787927898 /nfs/dbraw/zinc/92/78/98/787927898.db2.gz UYLVKQKFIVAALG-KBPBESRZSA-N 1 2 326.824 2.068 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2oc(CC)cc2C)[C@@H](O)C1 ZINC001090726273 787927903 /nfs/dbraw/zinc/92/79/03/787927903.db2.gz UYLVKQKFIVAALG-KBPBESRZSA-N 1 2 326.824 2.068 20 30 EEEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C=C2CCC2)cc1C#N ZINC001032348209 788081053 /nfs/dbraw/zinc/08/10/53/788081053.db2.gz YQLQEDFZUQDSHJ-ROUUACIJSA-N 1 2 337.423 2.462 20 30 EEEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C=C2CCC2)cc1C#N ZINC001032348209 788081061 /nfs/dbraw/zinc/08/10/61/788081061.db2.gz YQLQEDFZUQDSHJ-ROUUACIJSA-N 1 2 337.423 2.462 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079021088 788351091 /nfs/dbraw/zinc/35/10/91/788351091.db2.gz BXBYSWDFVOIMBJ-HNNXBMFYSA-N 1 2 332.448 2.004 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)CCCNc2cncc(C#N)n2)c(C)[nH+]1 ZINC001109689257 805877800 /nfs/dbraw/zinc/87/78/00/805877800.db2.gz WQAPCCQYDZDQQZ-UHFFFAOYSA-N 1 2 338.415 2.243 20 30 EEEDLO C=CCCC(=O)NC[C@]1(C)C[N@H+](Cc2ccc(C)nc2C)CCO1 ZINC001107802793 788503185 /nfs/dbraw/zinc/50/31/85/788503185.db2.gz ZHAPTOLMMBNCME-LJQANCHMSA-N 1 2 331.460 2.372 20 30 EEEDLO C=CCCC(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(C)nc2C)CCO1 ZINC001107802793 788503196 /nfs/dbraw/zinc/50/31/96/788503196.db2.gz ZHAPTOLMMBNCME-LJQANCHMSA-N 1 2 331.460 2.372 20 30 EEEDLO C=CC[N@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)CC2(CCOCC2)C1 ZINC001099581097 788619434 /nfs/dbraw/zinc/61/94/34/788619434.db2.gz KMGPAOREJAJXLK-RYUDHWBXSA-N 1 2 338.345 2.060 20 30 EEEDLO C=CC[N@@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)CC2(CCOCC2)C1 ZINC001099581097 788619440 /nfs/dbraw/zinc/61/94/40/788619440.db2.gz KMGPAOREJAJXLK-RYUDHWBXSA-N 1 2 338.345 2.060 20 30 EEEDLO N#Cc1cccnc1NC[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001060246791 788833041 /nfs/dbraw/zinc/83/30/41/788833041.db2.gz PHZBTBUESGXGRR-HNNXBMFYSA-N 1 2 338.415 2.102 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060794990 788969238 /nfs/dbraw/zinc/96/92/38/788969238.db2.gz DFWRHEANOBARFU-FZKCQIBNSA-N 1 2 346.475 2.202 20 30 EEEDLO C#CCCCC(=O)NC[C@]1(C)C[N@H+](Cc2sc(C)nc2C)CCO1 ZINC001107901196 789189452 /nfs/dbraw/zinc/18/94/52/789189452.db2.gz KUIZGRFPHOBHGB-GOSISDBHSA-N 1 2 349.500 2.271 20 30 EEEDLO C#CCCCC(=O)NC[C@]1(C)C[N@@H+](Cc2sc(C)nc2C)CCO1 ZINC001107901196 789189456 /nfs/dbraw/zinc/18/94/56/789189456.db2.gz KUIZGRFPHOBHGB-GOSISDBHSA-N 1 2 349.500 2.271 20 30 EEEDLO CCOC[C@@H]1C[N@H+](Cc2cncc(C#N)c2)Cc2c1cnn2CC ZINC001144075943 789211593 /nfs/dbraw/zinc/21/15/93/789211593.db2.gz WQPVGVPJKHBESJ-INIZCTEOSA-N 1 2 325.416 2.306 20 30 EEEDLO CCOC[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)Cc2c1cnn2CC ZINC001144075943 789211600 /nfs/dbraw/zinc/21/16/00/789211600.db2.gz WQPVGVPJKHBESJ-INIZCTEOSA-N 1 2 325.416 2.306 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)C/C=C(\C)C=C)CC2)C1 ZINC001105719184 789240295 /nfs/dbraw/zinc/24/02/95/789240295.db2.gz AKNZCAOQVRDDOE-UBKPWBPPSA-N 1 2 348.487 2.403 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060826132 789550166 /nfs/dbraw/zinc/55/01/66/789550166.db2.gz YZBRXEGYHOQNAL-DOXZYTNZSA-N 1 2 346.475 2.346 20 30 EEEDLO C#CCCCCC(=O)NCC1(NC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001062826868 789925449 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EEEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nc(C3CCC3)no1)C2 ZINC001147186874 791749600 /nfs/dbraw/zinc/74/96/00/791749600.db2.gz DGDKUDMGYLIRRR-UHFFFAOYSA-N 1 2 330.432 2.338 20 30 EEEDLO C#CCCCCCC(=O)NCC1(NC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001063924356 791954418 /nfs/dbraw/zinc/95/44/18/791954418.db2.gz MSQCEUUALWAHNS-UHFFFAOYSA-N 1 2 344.459 2.081 20 30 EEEDLO C#CCO[C@H](C)C(=O)N(C)CCCCCCNc1cc[nH+]c(C)n1 ZINC001091742269 792629846 /nfs/dbraw/zinc/62/98/46/792629846.db2.gz HAUVBWNOTFNQJW-OAHLLOKOSA-N 1 2 332.448 2.254 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CC[C@@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089142469 792654068 /nfs/dbraw/zinc/65/40/68/792654068.db2.gz YKOVPPATPYDDFZ-DYVFJYSZSA-N 1 2 346.475 2.468 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2[N@H+](Cc2ncccn2)CC3)cc1 ZINC000992098308 792692723 /nfs/dbraw/zinc/69/27/23/792692723.db2.gz HCMPBXLWNHEQSL-GHTZIAJQSA-N 1 2 346.434 2.385 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](Cc2ncccn2)CC3)cc1 ZINC000992098308 792692728 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800779028 /nfs/dbraw/zinc/77/90/28/800779028.db2.gz QQVRMEGFBGOLTN-KRWDZBQOSA-N 1 2 335.411 2.003 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001033016873 800802683 /nfs/dbraw/zinc/80/26/83/800802683.db2.gz DNXMBOZXLXGJGJ-GXTWGEPZSA-N 1 2 327.388 2.090 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+]2CC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001033016873 800802686 /nfs/dbraw/zinc/80/26/86/800802686.db2.gz DNXMBOZXLXGJGJ-GXTWGEPZSA-N 1 2 327.388 2.090 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)c(C)s1 ZINC001033022583 800886941 /nfs/dbraw/zinc/88/69/41/800886941.db2.gz ONVAWRPSVMKWOV-AWEZNQCLSA-N 1 2 343.456 2.306 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)c(C)s1 ZINC001033022583 800886947 /nfs/dbraw/zinc/88/69/47/800886947.db2.gz ONVAWRPSVMKWOV-AWEZNQCLSA-N 1 2 343.456 2.306 20 30 EEEDLO N#Cc1ccccc1CC(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001181800052 800908662 /nfs/dbraw/zinc/90/86/62/800908662.db2.gz 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801388142 /nfs/dbraw/zinc/38/81/42/801388142.db2.gz COVPUMNYRDUSEW-NMLBUPMWSA-N 1 2 338.451 2.138 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001085830604 801388150 /nfs/dbraw/zinc/38/81/50/801388150.db2.gz COVPUMNYRDUSEW-NMLBUPMWSA-N 1 2 338.451 2.138 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH2+]Cc2csc(NC(C)=O)n2)C1 ZINC001182946916 801403161 /nfs/dbraw/zinc/40/31/61/801403161.db2.gz HPQJTVVZSQCVRB-CYBMUJFWSA-N 1 2 336.461 2.148 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](CC(F)(F)C(F)F)C[C@H]2CC1 ZINC000946586609 801473009 /nfs/dbraw/zinc/47/30/09/801473009.db2.gz PAEONTXSGRZLBB-OKILXGFUSA-N 1 2 346.368 2.471 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](CC(F)(F)C(F)F)C[C@H]2CC1 ZINC000946586609 801473012 /nfs/dbraw/zinc/47/30/12/801473012.db2.gz PAEONTXSGRZLBB-OKILXGFUSA-N 1 2 346.368 2.471 20 30 EEEDLO Cc1c[nH]nc1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033079966 801477040 /nfs/dbraw/zinc/47/70/40/801477040.db2.gz 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CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C(F)(F)F)n1 ZINC001085889639 801555976 /nfs/dbraw/zinc/55/59/76/801555976.db2.gz DSTHEQYGNZSWPV-LBPRGKRZSA-N 1 2 325.334 2.270 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C(F)(F)F)n1 ZINC001085889639 801555981 /nfs/dbraw/zinc/55/59/81/801555981.db2.gz DSTHEQYGNZSWPV-LBPRGKRZSA-N 1 2 325.334 2.270 20 30 EEEDLO Cc1nc(NCCCC[C@@H](C)NC(=O)Cn2cc[nH+]c2)ccc1C#N ZINC001090097642 801567373 /nfs/dbraw/zinc/56/73/73/801567373.db2.gz POHGZRIOFHCSFW-CQSZACIVSA-N 1 2 340.431 2.245 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cncc(C(F)(F)F)c1 ZINC001085908036 801608754 /nfs/dbraw/zinc/60/87/54/801608754.db2.gz VZAFKSWPVSHBLK-CQSZACIVSA-N 1 2 325.334 2.270 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cncc(C(F)(F)F)c1 ZINC001085908036 801608759 /nfs/dbraw/zinc/60/87/59/801608759.db2.gz VZAFKSWPVSHBLK-CQSZACIVSA-N 1 2 325.334 2.270 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)cn1 ZINC001061476731 801702485 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CC(C)n1ccc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004567669 802385724 /nfs/dbraw/zinc/38/57/24/802385724.db2.gz KNRGTBHEBCKLRV-KRWDZBQOSA-N 1 2 329.448 2.304 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc3cccnn32)CC1 ZINC001004572108 802394031 /nfs/dbraw/zinc/39/40/31/802394031.db2.gz ZQXHZXPTLINYHK-KRWDZBQOSA-N 1 2 337.427 2.174 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc3cccnn32)CC1 ZINC001004572108 802394039 /nfs/dbraw/zinc/39/40/39/802394039.db2.gz ZQXHZXPTLINYHK-KRWDZBQOSA-N 1 2 337.427 2.174 20 30 EEEDLO CCCn1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)cn1 ZINC001004572121 802394260 /nfs/dbraw/zinc/39/42/60/802394260.db2.gz ZSGTZVUBWKBMMG-KRWDZBQOSA-N 1 2 329.448 2.133 20 30 EEEDLO CCCn1cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)cn1 ZINC001004572121 802394267 /nfs/dbraw/zinc/39/42/67/802394267.db2.gz ZSGTZVUBWKBMMG-KRWDZBQOSA-N 1 2 329.448 2.133 20 30 EEEDLO CCC1(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)CCOCC1 ZINC001004585400 802424330 /nfs/dbraw/zinc/42/43/30/802424330.db2.gz FJKGYSGEIMFBTK-KRWDZBQOSA-N 1 2 333.476 2.420 20 30 EEEDLO CCC1(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)CCOCC1 ZINC001004585400 802424333 /nfs/dbraw/zinc/42/43/33/802424333.db2.gz FJKGYSGEIMFBTK-KRWDZBQOSA-N 1 2 333.476 2.420 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc3c([nH]2)CCC3)CC1 ZINC001004595909 802449019 /nfs/dbraw/zinc/44/90/19/802449019.db2.gz KIKDPDISOGVUKY-GOSISDBHSA-N 1 2 326.444 2.344 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc3c([nH]2)CCC3)CC1 ZINC001004595909 802449023 /nfs/dbraw/zinc/44/90/23/802449023.db2.gz KIKDPDISOGVUKY-GOSISDBHSA-N 1 2 326.444 2.344 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)nc1 ZINC001066446889 802523910 /nfs/dbraw/zinc/52/39/10/802523910.db2.gz KJMKPVFLGNQVBB-CTYIDZIISA-N 1 2 338.415 2.006 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001066502316 802800049 /nfs/dbraw/zinc/80/00/49/802800049.db2.gz UCRZEKINMCEGCG-BEFAXECRSA-N 1 2 346.475 2.442 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Cc1ocnc1C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000329121033 539767236 /nfs/dbraw/zinc/76/72/36/539767236.db2.gz VYPWKMCGOIQVIU-UHFFFAOYSA-N 1 2 327.344 2.332 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCC[C@H]1C#N)C1CCOCC1 ZINC000329166866 539768239 /nfs/dbraw/zinc/76/82/39/539768239.db2.gz IAUNADPISGNBIU-RRFJBIMHSA-N 1 2 331.420 2.084 20 30 EEEDLO C[C@@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)c2ccccc2O1 ZINC000329484876 539775163 /nfs/dbraw/zinc/77/51/63/539775163.db2.gz SLOOYKTVOFSKQE-OAHLLOKOSA-N 1 2 347.459 2.341 20 30 EEEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000180954065 234042456 /nfs/dbraw/zinc/04/24/56/234042456.db2.gz GDMZCQLKYSRUGQ-AWEZNQCLSA-N 1 2 336.233 2.373 20 30 EEEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000180954065 234042459 /nfs/dbraw/zinc/04/24/59/234042459.db2.gz GDMZCQLKYSRUGQ-AWEZNQCLSA-N 1 2 336.233 2.373 20 30 EEEDLO N#CC1(c2ccccn2)CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000370536474 238257006 /nfs/dbraw/zinc/25/70/06/238257006.db2.gz TUQZYDVZDYONPC-UHFFFAOYSA-N 1 2 331.379 2.427 20 30 EEEDLO N#Cc1cccc(NCC(=O)NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000426446518 241288392 /nfs/dbraw/zinc/28/83/92/241288392.db2.gz YTQCVUQBLJQERH-UHFFFAOYSA-N 1 2 337.305 2.045 20 30 EEEDLO N#Cc1cccc(-c2cc(C(=O)NCCNc3cccc[nH+]3)on2)c1 ZINC000447964531 242345034 /nfs/dbraw/zinc/34/50/34/242345034.db2.gz MZXXVYFJKXMNGL-UHFFFAOYSA-N 1 2 333.351 2.450 20 30 EEEDLO C#CC[N@@H+](CC(=O)Nc1ccc(/C=C\C(=O)OCC)cc1)C1CC1 ZINC000491626900 246089390 /nfs/dbraw/zinc/08/93/90/246089390.db2.gz MZCPCLFMGCBGRW-GHXNOFRVSA-N 1 2 326.396 2.299 20 30 EEEDLO C#CC[N@H+](CC(=O)Nc1ccc(/C=C\C(=O)OCC)cc1)C1CC1 ZINC000491626900 246089392 /nfs/dbraw/zinc/08/93/92/246089392.db2.gz MZCPCLFMGCBGRW-GHXNOFRVSA-N 1 2 326.396 2.299 20 30 EEEDLO COC[C@@H](C)O[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000495463201 247164760 /nfs/dbraw/zinc/16/47/60/247164760.db2.gz GZYFLSHCNUJPIE-GFCCVEGCSA-N 1 2 337.420 2.383 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000091936504 218091602 /nfs/dbraw/zinc/09/16/02/218091602.db2.gz PHNSYAUKYCQWSJ-LBPRGKRZSA-N 1 2 329.354 2.337 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000091936504 218091605 /nfs/dbraw/zinc/09/16/05/218091605.db2.gz PHNSYAUKYCQWSJ-LBPRGKRZSA-N 1 2 329.354 2.337 20 30 EEEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1 ZINC000112696060 220376552 /nfs/dbraw/zinc/37/65/52/220376552.db2.gz FGXFCQRCYGMFIW-HXUWFJFHSA-N 1 2 346.434 2.486 20 30 EEEDLO C#CC[N@@H+](CCc1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000491811791 533134390 /nfs/dbraw/zinc/13/43/90/533134390.db2.gz CWDKRQSAUNRLFR-AWEZNQCLSA-N 1 2 329.824 2.144 20 30 EEEDLO C#CC[N@H+](CCc1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000491811791 533134392 /nfs/dbraw/zinc/13/43/92/533134392.db2.gz CWDKRQSAUNRLFR-AWEZNQCLSA-N 1 2 329.824 2.144 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2C2CC2)CC1 ZINC000491395878 533158995 /nfs/dbraw/zinc/15/89/95/533158995.db2.gz VHNSQVLHRYZVLW-UHFFFAOYSA-N 1 2 327.457 2.021 20 30 EEEDLO COC(=O)C1(NC(=O)C[N@H+](CCC#N)CC(C)(C)C)CCCCC1 ZINC000111250293 533232966 /nfs/dbraw/zinc/23/29/66/533232966.db2.gz OVKRZIIZTSKVNA-UHFFFAOYSA-N 1 2 337.464 2.240 20 30 EEEDLO COC(=O)C1(NC(=O)C[N@@H+](CCC#N)CC(C)(C)C)CCCCC1 ZINC000111250293 533232973 /nfs/dbraw/zinc/23/29/73/533232973.db2.gz OVKRZIIZTSKVNA-UHFFFAOYSA-N 1 2 337.464 2.240 20 30 EEEDLO COc1ccc(C[N@@H+]2CCN(C)C(=O)C2(C)C)cc1OCCCC#N ZINC000093642751 533561488 /nfs/dbraw/zinc/56/14/88/533561488.db2.gz QWTDJLTZFRMLRP-UHFFFAOYSA-N 1 2 345.443 2.430 20 30 EEEDLO COc1ccc(C[N@H+]2CCN(C)C(=O)C2(C)C)cc1OCCCC#N ZINC000093642751 533561493 /nfs/dbraw/zinc/56/14/93/533561493.db2.gz QWTDJLTZFRMLRP-UHFFFAOYSA-N 1 2 345.443 2.430 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](Cc2cccs2)C2CC2)nc1 ZINC000343984415 161186816 /nfs/dbraw/zinc/18/68/16/161186816.db2.gz PHYYJAFVQHCXJL-UHFFFAOYSA-N 1 2 347.465 2.453 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](Cc2cccs2)C2CC2)nc1 ZINC000343984415 161186817 /nfs/dbraw/zinc/18/68/17/161186817.db2.gz PHYYJAFVQHCXJL-UHFFFAOYSA-N 1 2 347.465 2.453 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)n1 ZINC000367803724 166005413 /nfs/dbraw/zinc/00/54/13/166005413.db2.gz NIJKOGBRFLBYJB-HOTGVXAUSA-N 1 2 328.395 2.020 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)n1 ZINC000367803724 166005414 /nfs/dbraw/zinc/00/54/14/166005414.db2.gz NIJKOGBRFLBYJB-HOTGVXAUSA-N 1 2 328.395 2.020 20 30 EEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000301283240 269824176 /nfs/dbraw/zinc/82/41/76/269824176.db2.gz YIUKCLMQSRWJRC-LBPRGKRZSA-N 1 2 332.835 2.001 20 30 EEEDLO Cc1ccnc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000297193939 270018560 /nfs/dbraw/zinc/01/85/60/270018560.db2.gz CGZCKDYRLSPRMH-UHFFFAOYSA-N 1 2 349.438 2.289 20 30 EEEDLO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1csnn1 ZINC000412042257 270019663 /nfs/dbraw/zinc/01/96/63/270019663.db2.gz OGMSMOXYULCRNH-SMDDNHRTSA-N 1 2 327.413 2.256 20 30 EEEDLO Cc1cc(C#N)cc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000332615709 267304902 /nfs/dbraw/zinc/30/49/02/267304902.db2.gz BIPSVQVDVBSRJY-YOEHRIQHSA-N 1 2 328.416 2.194 20 30 EEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2cn3ccccc3[nH+]2)cc1 ZINC000349358573 268091263 /nfs/dbraw/zinc/09/12/63/268091263.db2.gz WLTOQKJPEYNKKV-MRXNPFEDSA-N 1 2 329.363 2.205 20 30 EEEDLO Cc1noc([C@H]2CCCC[N@@H+]2C[C@H](O)COc2ccccc2C#N)n1 ZINC000528508471 268100437 /nfs/dbraw/zinc/10/04/37/268100437.db2.gz WHBLHWLGLKTLEH-JKSUJKDBSA-N 1 2 342.399 2.217 20 30 EEEDLO Cc1noc([C@H]2CCCC[N@H+]2C[C@H](O)COc2ccccc2C#N)n1 ZINC000528508471 268100439 /nfs/dbraw/zinc/10/04/39/268100439.db2.gz WHBLHWLGLKTLEH-JKSUJKDBSA-N 1 2 342.399 2.217 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000359932768 268308017 /nfs/dbraw/zinc/30/80/17/268308017.db2.gz DBFAABBLLNKVOU-AWEZNQCLSA-N 1 2 346.456 2.035 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000359932768 268308018 /nfs/dbraw/zinc/30/80/18/268308018.db2.gz DBFAABBLLNKVOU-AWEZNQCLSA-N 1 2 346.456 2.035 20 30 EEEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCCCNC3=O)CC2)c(Cl)c1 ZINC000277753323 269178833 /nfs/dbraw/zinc/17/88/33/269178833.db2.gz LSGXGCFUGOEJKV-INIZCTEOSA-N 1 2 332.835 2.002 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280256547 269343256 /nfs/dbraw/zinc/34/32/56/269343256.db2.gz BUWKXZGAOANEDF-KUHUBIRLSA-N 1 2 343.427 2.155 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280256547 269343257 /nfs/dbraw/zinc/34/32/57/269343257.db2.gz BUWKXZGAOANEDF-KUHUBIRLSA-N 1 2 343.427 2.155 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H](F)C(F)(F)F)CC2)cc1 ZINC000277275106 274280049 /nfs/dbraw/zinc/28/00/49/274280049.db2.gz BRVBGKAOLUEFLM-CQSZACIVSA-N 1 2 343.324 2.493 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](F)C(F)(F)F)CC2)cc1 ZINC000277275106 274280052 /nfs/dbraw/zinc/28/00/52/274280052.db2.gz BRVBGKAOLUEFLM-CQSZACIVSA-N 1 2 343.324 2.493 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(F)C(F)(F)F)CC2)cc1 ZINC000277275106 274280054 /nfs/dbraw/zinc/28/00/54/274280054.db2.gz BRVBGKAOLUEFLM-CQSZACIVSA-N 1 2 343.324 2.493 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(F)C(F)(F)F)CC2)cc1 ZINC000277275106 274280057 /nfs/dbraw/zinc/28/00/57/274280057.db2.gz BRVBGKAOLUEFLM-CQSZACIVSA-N 1 2 343.324 2.493 20 30 EEEDLO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nnnn1-c1ccccc1 ZINC000342733161 279493711 /nfs/dbraw/zinc/49/37/11/279493711.db2.gz SNGGMHSOQXHXIU-ZDUSSCGKSA-N 1 2 344.382 2.032 20 30 EEEDLO N#Cc1cnn2cc(C[N@@H+]3CCO[C@@H](CCc4ccccc4)C3)cnc12 ZINC000564987193 319135746 /nfs/dbraw/zinc/13/57/46/319135746.db2.gz ZTJDYWZXEXVPGC-IBGZPJMESA-N 1 2 347.422 2.435 20 30 EEEDLO N#Cc1cnn2cc(C[N@H+]3CCO[C@@H](CCc4ccccc4)C3)cnc12 ZINC000564987193 319135747 /nfs/dbraw/zinc/13/57/47/319135747.db2.gz ZTJDYWZXEXVPGC-IBGZPJMESA-N 1 2 347.422 2.435 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2ccc(C#N)cc2F)CC1(C)C ZINC000569071693 319542586 /nfs/dbraw/zinc/54/25/86/319542586.db2.gz JSQDECJPSWGOOR-AWEZNQCLSA-N 1 2 348.403 2.203 20 30 EEEDLO Cc1cc(C#N)cnc1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000578455662 320315675 /nfs/dbraw/zinc/31/56/75/320315675.db2.gz TUOBZYWDHLDWBM-UHFFFAOYSA-N 1 2 345.406 2.479 20 30 EEEDLO N#CCCn1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000535259969 448492396 /nfs/dbraw/zinc/49/23/96/448492396.db2.gz HYOLTMOWOGNHMG-UHFFFAOYSA-N 1 2 344.444 2.208 20 30 EEEDLO CC[C@H](C(=O)N(CCC#N)Cc1ccccn1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339269174 465177626 /nfs/dbraw/zinc/17/76/26/465177626.db2.gz CEXUWMMOWBRMOM-QZTJIDSGSA-N 1 2 344.459 2.213 20 30 EEEDLO CC[C@H](C(=O)N(CCC#N)Cc1ccccn1)[N@H+]1CCO[C@H](CC)C1 ZINC000339269174 465177636 /nfs/dbraw/zinc/17/76/36/465177636.db2.gz CEXUWMMOWBRMOM-QZTJIDSGSA-N 1 2 344.459 2.213 20 30 EEEDLO CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000328952618 465179762 /nfs/dbraw/zinc/17/97/62/465179762.db2.gz MASLRZOLSLSGBY-UONOGXRCSA-N 1 2 332.448 2.439 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2C(C)C)C1=O ZINC000337229821 465256652 /nfs/dbraw/zinc/25/66/52/465256652.db2.gz SGOQBJLXFBYMQE-QGZVFWFLSA-N 1 2 329.444 2.467 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2C(C)C)C1=O ZINC000337229821 465256657 /nfs/dbraw/zinc/25/66/57/465256657.db2.gz SGOQBJLXFBYMQE-QGZVFWFLSA-N 1 2 329.444 2.467 20 30 EEEDLO C[N@H+](CCNC(=O)OC(C)(C)C)CC(=O)Nc1sccc1C#N ZINC000297329054 465252828 /nfs/dbraw/zinc/25/28/28/465252828.db2.gz DGRVAFGZIVOXSS-UHFFFAOYSA-N 1 2 338.433 2.015 20 30 EEEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)CC(=O)Nc1sccc1C#N ZINC000297329054 465252843 /nfs/dbraw/zinc/25/28/43/465252843.db2.gz DGRVAFGZIVOXSS-UHFFFAOYSA-N 1 2 338.433 2.015 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N(CC)C2CCCCC2)C1=O ZINC000337225541 465254121 /nfs/dbraw/zinc/25/41/21/465254121.db2.gz OKAXEXFENIWTDG-RDJZCZTQSA-N 1 2 335.492 2.275 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N(CC)C2CCCCC2)C1=O ZINC000337225541 465254127 /nfs/dbraw/zinc/25/41/27/465254127.db2.gz OKAXEXFENIWTDG-RDJZCZTQSA-N 1 2 335.492 2.275 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000337233893 465259080 /nfs/dbraw/zinc/25/90/80/465259080.db2.gz WSIRUWUVXIJNBY-BBRMVZONSA-N 1 2 341.814 2.157 20 30 EEEDLO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000329205490 465266462 /nfs/dbraw/zinc/26/64/62/465266462.db2.gz DKCUUZBYRJJNRG-LALPHHSUSA-N 1 2 333.436 2.235 20 30 EEEDLO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000329205490 465266467 /nfs/dbraw/zinc/26/64/67/465266467.db2.gz DKCUUZBYRJJNRG-LALPHHSUSA-N 1 2 333.436 2.235 20 30 EEEDLO C[C@H]1COCCN1CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000337263944 465274497 /nfs/dbraw/zinc/27/44/97/465274497.db2.gz XJQUWGHGWIAWCW-HNNXBMFYSA-N 1 2 348.878 2.054 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000342006225 465285122 /nfs/dbraw/zinc/28/51/22/465285122.db2.gz CEZGXZJVFVUAIY-AWEZNQCLSA-N 1 2 326.400 2.137 20 30 EEEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000342374548 465314898 /nfs/dbraw/zinc/31/48/98/465314898.db2.gz URURCCIRPFWWLO-AWEZNQCLSA-N 1 2 329.400 2.136 20 30 EEEDLO Cc1nc([C@H]2CCCN2C(=O)NCCc2cn3c([nH+]2)CCCC3)no1 ZINC000329379834 465315531 /nfs/dbraw/zinc/31/55/31/465315531.db2.gz NDMKESJUNZNLJB-CQSZACIVSA-N 1 2 344.419 2.204 20 30 EEEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1-c1cc(C)cc(C)c1 ZINC000520819673 468272902 /nfs/dbraw/zinc/27/29/02/468272902.db2.gz JCECZHBXFSGLLV-IBGZPJMESA-N 1 2 339.443 2.371 20 30 EEEDLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000006612843 462693471 /nfs/dbraw/zinc/69/34/71/462693471.db2.gz NAXAVEBEGJKJAH-ZDUSSCGKSA-N 1 2 349.818 2.425 20 30 EEEDLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000006612843 462693472 /nfs/dbraw/zinc/69/34/72/462693472.db2.gz NAXAVEBEGJKJAH-ZDUSSCGKSA-N 1 2 349.818 2.425 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCC2(C1)OCCO2 ZINC000090563647 462798340 /nfs/dbraw/zinc/79/83/40/462798340.db2.gz OANKMSCRZZPZHF-LBPRGKRZSA-N 1 2 349.818 2.378 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCCC2(C1)OCCO2 ZINC000090563647 462798347 /nfs/dbraw/zinc/79/83/47/462798347.db2.gz OANKMSCRZZPZHF-LBPRGKRZSA-N 1 2 349.818 2.378 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc(Br)o1 ZINC000076949710 462925919 /nfs/dbraw/zinc/92/59/19/462925919.db2.gz IGBDZXLITKWAGR-LLVKDONJSA-N 1 2 342.237 2.482 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccc(Br)o1 ZINC000076949710 462925921 /nfs/dbraw/zinc/92/59/21/462925921.db2.gz IGBDZXLITKWAGR-LLVKDONJSA-N 1 2 342.237 2.482 20 30 EEEDLO N#Cc1nnc2ccccc2c1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000077188940 462950049 /nfs/dbraw/zinc/95/00/49/462950049.db2.gz SJMXJPQACPUKAB-UHFFFAOYSA-N 1 2 346.394 2.345 20 30 EEEDLO C=CCNC(=O)C[N@@H+](C)Cc1cc(Br)ccc1OC ZINC000016591914 462983363 /nfs/dbraw/zinc/98/33/63/462983363.db2.gz LWYPFEDLAMUTLR-UHFFFAOYSA-N 1 2 327.222 2.192 20 30 EEEDLO C=CCNC(=O)C[N@H+](C)Cc1cc(Br)ccc1OC ZINC000016591914 462983366 /nfs/dbraw/zinc/98/33/66/462983366.db2.gz LWYPFEDLAMUTLR-UHFFFAOYSA-N 1 2 327.222 2.192 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2ccccc2C)CC1 ZINC000051621723 463044346 /nfs/dbraw/zinc/04/43/46/463044346.db2.gz CAUKUGHDDYVFPY-INIZCTEOSA-N 1 2 328.460 2.125 20 30 EEEDLO C#CCNC(=O)C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000491264829 468337368 /nfs/dbraw/zinc/33/73/68/468337368.db2.gz IEOINRPLZZHKKD-UHFFFAOYSA-N 1 2 338.367 2.109 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135232114 463131868 /nfs/dbraw/zinc/13/18/68/463131868.db2.gz PUMPSIOVJNRHGB-UHFFFAOYSA-N 1 2 330.388 2.321 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135232114 463131870 /nfs/dbraw/zinc/13/18/70/463131870.db2.gz PUMPSIOVJNRHGB-UHFFFAOYSA-N 1 2 330.388 2.321 20 30 EEEDLO CC[N@@H+](CC(=O)N(C)Cc1ccc(OC)c(OC)c1)C[C@@H](C)C#N ZINC000157623110 463149823 /nfs/dbraw/zinc/14/98/23/463149823.db2.gz 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463519897 /nfs/dbraw/zinc/51/98/97/463519897.db2.gz KSKAYZBAKPNUNU-UHFFFAOYSA-N 1 2 330.457 2.088 20 30 EEEDLO C=C(C)COCCNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000151460298 463534625 /nfs/dbraw/zinc/53/46/25/463534625.db2.gz WUDPCNIULGTXOU-UHFFFAOYSA-N 1 2 347.459 2.115 20 30 EEEDLO N#Cc1ccc(NCC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000058014472 463535196 /nfs/dbraw/zinc/53/51/96/463535196.db2.gz RORULQGOBHWDLO-UHFFFAOYSA-N 1 2 335.411 2.282 20 30 EEEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2ccccc2F)C1=O ZINC000125843234 463583703 /nfs/dbraw/zinc/58/37/03/463583703.db2.gz UTQCHGDZROMIEK-QGZVFWFLSA-N 1 2 337.354 2.461 20 30 EEEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2ccccc2F)C1=O ZINC000125843234 463583707 /nfs/dbraw/zinc/58/37/07/463583707.db2.gz UTQCHGDZROMIEK-QGZVFWFLSA-N 1 2 337.354 2.461 20 30 EEEDLO Cc1nc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)ccc1C#N ZINC000073544299 463623052 /nfs/dbraw/zinc/62/30/52/463623052.db2.gz DBCZBLPETWKKTD-UHFFFAOYSA-N 1 2 325.759 2.493 20 30 EEEDLO CC[N@@H+]1CCO[C@@H](C(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)C1 ZINC000073765293 463653555 /nfs/dbraw/zinc/65/35/55/463653555.db2.gz CANVQLCRURYWHT-GFCCVEGCSA-N 1 2 335.795 2.434 20 30 EEEDLO CC[N@H+]1CCO[C@@H](C(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)C1 ZINC000073765293 463653558 /nfs/dbraw/zinc/65/35/58/463653558.db2.gz CANVQLCRURYWHT-GFCCVEGCSA-N 1 2 335.795 2.434 20 30 EEEDLO C#CC[N@@H+](CCCOc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000112697763 463705901 /nfs/dbraw/zinc/70/59/01/463705901.db2.gz KNVJCWNXWNNQGC-KRWDZBQOSA-N 1 2 335.469 2.195 20 30 EEEDLO C#CC[N@H+](CCCOc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000112697763 463705902 /nfs/dbraw/zinc/70/59/02/463705902.db2.gz KNVJCWNXWNNQGC-KRWDZBQOSA-N 1 2 335.469 2.195 20 30 EEEDLO Cc1ccccc1/C=C\C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000255323770 463717945 /nfs/dbraw/zinc/71/79/45/463717945.db2.gz UUZINYPACKKAQL-FPLPWBNLSA-N 1 2 327.428 2.083 20 30 EEEDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)o1 ZINC000541681807 468378882 /nfs/dbraw/zinc/37/88/82/468378882.db2.gz LIVORARYNNQIHK-SBUZTJRASA-N 1 2 333.436 2.348 20 30 EEEDLO COC(=O)c1cccc(C[N@H+](CCCO)Cc2ccccn2)c1C#N ZINC000553893789 468382596 /nfs/dbraw/zinc/38/25/96/468382596.db2.gz DIVCGHPVJBEOBH-UHFFFAOYSA-N 1 2 339.395 2.124 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+](CCCO)Cc2ccccn2)c1C#N ZINC000553893789 468382600 /nfs/dbraw/zinc/38/26/00/468382600.db2.gz DIVCGHPVJBEOBH-UHFFFAOYSA-N 1 2 339.395 2.124 20 30 EEEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000178344697 463884410 /nfs/dbraw/zinc/88/44/10/463884410.db2.gz BUJJQNBVGGWBNI-RDJZCZTQSA-N 1 2 346.427 2.104 20 30 EEEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000178344697 463884414 /nfs/dbraw/zinc/88/44/14/463884414.db2.gz BUJJQNBVGGWBNI-RDJZCZTQSA-N 1 2 346.427 2.104 20 30 EEEDLO C#CCC(CC#C)C(=O)N(CCCCCC)CC[NH+]1CCOCC1 ZINC000287521305 463914346 /nfs/dbraw/zinc/91/43/46/463914346.db2.gz MFJYOOYBVVOFEV-UHFFFAOYSA-N 1 2 332.488 2.390 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277800233 463932295 /nfs/dbraw/zinc/93/22/95/463932295.db2.gz OKNMUHMFSLEKGJ-QWRGUYRKSA-N 1 2 330.354 2.299 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277800233 463932301 /nfs/dbraw/zinc/93/23/01/463932301.db2.gz OKNMUHMFSLEKGJ-QWRGUYRKSA-N 1 2 330.354 2.299 20 30 EEEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000287657887 463960355 /nfs/dbraw/zinc/96/03/55/463960355.db2.gz GZEWYVRFHZBJQD-UHFFFAOYSA-N 1 2 348.244 2.423 20 30 EEEDLO COCCOCC[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000288769781 464059111 /nfs/dbraw/zinc/05/91/11/464059111.db2.gz IFDLMCNAWMMKBO-UHFFFAOYSA-N 1 2 327.222 2.416 20 30 EEEDLO COCCOCC[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000288769781 464059117 /nfs/dbraw/zinc/05/91/17/464059117.db2.gz IFDLMCNAWMMKBO-UHFFFAOYSA-N 1 2 327.222 2.416 20 30 EEEDLO N#CCOc1ccccc1-c1nc([C@H]2C[N@@H+](C3CC3)CCO2)no1 ZINC000289208132 464070203 /nfs/dbraw/zinc/07/02/03/464070203.db2.gz YCIBRAVXTCTMAX-OAHLLOKOSA-N 1 2 326.356 2.175 20 30 EEEDLO N#CCOc1ccccc1-c1nc([C@H]2C[N@H+](C3CC3)CCO2)no1 ZINC000289208132 464070209 /nfs/dbraw/zinc/07/02/09/464070209.db2.gz YCIBRAVXTCTMAX-OAHLLOKOSA-N 1 2 326.356 2.175 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)n1 ZINC000279707074 464131093 /nfs/dbraw/zinc/13/10/93/464131093.db2.gz JWIRLQZMKYBCNN-JZXOWHBKSA-N 1 2 330.476 2.422 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)n1 ZINC000279707074 464131100 /nfs/dbraw/zinc/13/11/00/464131100.db2.gz JWIRLQZMKYBCNN-JZXOWHBKSA-N 1 2 330.476 2.422 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)NCC2CCCCC2)n1 ZINC000279737815 464138970 /nfs/dbraw/zinc/13/89/70/464138970.db2.gz OGLKHONLYXJMHA-INIZCTEOSA-N 1 2 330.476 2.423 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NCC2CCCCC2)n1 ZINC000279737815 464138975 /nfs/dbraw/zinc/13/89/75/464138975.db2.gz OGLKHONLYXJMHA-INIZCTEOSA-N 1 2 330.476 2.423 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N2CCc3ccccc32)n1 ZINC000279786509 464147402 /nfs/dbraw/zinc/14/74/02/464147402.db2.gz UYTUDVRBZZOFJV-MRXNPFEDSA-N 1 2 336.439 2.316 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N2CCc3ccccc32)n1 ZINC000279786509 464147405 /nfs/dbraw/zinc/14/74/05/464147405.db2.gz UYTUDVRBZZOFJV-MRXNPFEDSA-N 1 2 336.439 2.316 20 30 EEEDLO CC(C)(C#N)c1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000280149797 464191002 /nfs/dbraw/zinc/19/10/02/464191002.db2.gz NQLLUPIENGNBHR-SFHVURJKSA-N 1 2 341.455 2.425 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000179817952 464192720 /nfs/dbraw/zinc/19/27/20/464192720.db2.gz WABSHFLUQZUNFO-WFASDCNBSA-N 1 2 333.436 2.242 20 30 EEEDLO C=CC[N@@H+](Cc1cn(C)nc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000179819769 464194069 /nfs/dbraw/zinc/19/40/69/464194069.db2.gz CYQAFMHSSRHEBF-QGZVFWFLSA-N 1 2 345.468 2.262 20 30 EEEDLO C=CC[N@H+](Cc1cn(C)nc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000179819769 464194073 /nfs/dbraw/zinc/19/40/73/464194073.db2.gz CYQAFMHSSRHEBF-QGZVFWFLSA-N 1 2 345.468 2.262 20 30 EEEDLO C[C@@H]1CC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1C ZINC000271025573 464276618 /nfs/dbraw/zinc/27/66/18/464276618.db2.gz KBYAPHRXKIVSIW-VNHYZAJKSA-N 1 2 338.411 2.490 20 30 EEEDLO C[C@@H]1CC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1C ZINC000271025573 464276627 /nfs/dbraw/zinc/27/66/27/464276627.db2.gz KBYAPHRXKIVSIW-VNHYZAJKSA-N 1 2 338.411 2.490 20 30 EEEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000264179929 464288933 /nfs/dbraw/zinc/28/89/33/464288933.db2.gz YMHVXXWVTHBELF-UHFFFAOYSA-N 1 2 325.368 2.140 20 30 EEEDLO CO[C@H]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000292730911 464323249 /nfs/dbraw/zinc/32/32/49/464323249.db2.gz TWOGRVNFPGXXDH-MOPGFXCFSA-N 1 2 341.455 2.408 20 30 EEEDLO C=CC[NH+]1CCC(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000264456248 464334016 /nfs/dbraw/zinc/33/40/16/464334016.db2.gz OUYMLEYOUNGTFK-UHFFFAOYSA-N 1 2 339.417 2.061 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000281122043 464338628 /nfs/dbraw/zinc/33/86/28/464338628.db2.gz WYEQFAMKECNGBJ-RHSMWYFYSA-N 1 2 328.416 2.423 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000174123993 464364344 /nfs/dbraw/zinc/36/43/44/464364344.db2.gz HMEPHBUDKVKABL-UHFFFAOYSA-N 1 2 345.443 2.460 20 30 EEEDLO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)C1=O ZINC000281193152 464365698 /nfs/dbraw/zinc/36/56/98/464365698.db2.gz MTEQVUXUVHLCSV-SMDDNHRTSA-N 1 2 330.363 2.313 20 30 EEEDLO CC(C)[C@H]1C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CCCO1 ZINC000292986622 464379868 /nfs/dbraw/zinc/37/98/68/464379868.db2.gz BUTUTAMQGFHLQP-HUUCEWRRSA-N 1 2 333.457 2.472 20 30 EEEDLO CC(C)[C@H]1C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CCCO1 ZINC000292986622 464379872 /nfs/dbraw/zinc/37/98/72/464379872.db2.gz BUTUTAMQGFHLQP-HUUCEWRRSA-N 1 2 333.457 2.472 20 30 EEEDLO C=CCCCS(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000293096895 464386511 /nfs/dbraw/zinc/38/65/11/464386511.db2.gz UCALIMZBUPHAIE-UHFFFAOYSA-N 1 2 328.503 2.204 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(c2ccccc2)C(C)C)C1=O ZINC000281321525 464413495 /nfs/dbraw/zinc/41/34/95/464413495.db2.gz LGCBUYVGVZGFED-KRWDZBQOSA-N 1 2 329.444 2.147 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(c2ccccc2)C(C)C)C1=O ZINC000281321525 464413501 /nfs/dbraw/zinc/41/35/01/464413501.db2.gz LGCBUYVGVZGFED-KRWDZBQOSA-N 1 2 329.444 2.147 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000189132786 464440359 /nfs/dbraw/zinc/44/03/59/464440359.db2.gz IRGQNHJTKGKMAU-CYBMUJFWSA-N 1 2 339.399 2.034 20 30 EEEDLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nn1CCC#N ZINC000272070135 464466937 /nfs/dbraw/zinc/46/69/37/464466937.db2.gz KGOOCTPPWNIQHN-UKRRQHHQSA-N 1 2 341.419 2.417 20 30 EEEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](O)C2)c1C#N ZINC000265163062 464511835 /nfs/dbraw/zinc/51/18/35/464511835.db2.gz RNZZFZJCQBRRSI-MRXNPFEDSA-N 1 2 344.459 2.487 20 30 EEEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@H](O)C2)c1C#N ZINC000265163062 464511840 /nfs/dbraw/zinc/51/18/40/464511840.db2.gz RNZZFZJCQBRRSI-MRXNPFEDSA-N 1 2 344.459 2.487 20 30 EEEDLO N#CCCCCS(=O)(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000181723120 464523449 /nfs/dbraw/zinc/52/34/49/464523449.db2.gz XZDKKWUKEVFLEC-UHFFFAOYSA-N 1 2 346.456 2.239 20 30 EEEDLO CCCCCCC[C@@H](C)CNC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000285454271 464570331 /nfs/dbraw/zinc/57/03/31/464570331.db2.gz LLODLWGMYXZSJV-OAHLLOKOSA-N 1 2 336.480 2.491 20 30 EEEDLO Cc1cc(Br)cn2cc(CCNC(=O)[C@H](C)C#N)[nH+]c12 ZINC000546823674 468409391 /nfs/dbraw/zinc/40/93/91/468409391.db2.gz PPTLLXKRZFQTOO-SNVBAGLBSA-N 1 2 335.205 2.224 20 30 EEEDLO C=CCN(CCc1ccco1)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000272369605 464582012 /nfs/dbraw/zinc/58/20/12/464582012.db2.gz RRGKKEUPQMXLMK-HOTGVXAUSA-N 1 2 335.448 2.129 20 30 EEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000247249508 464660249 /nfs/dbraw/zinc/66/02/49/464660249.db2.gz VZIXFJXBMZQLHQ-UONOGXRCSA-N 1 2 333.457 2.334 20 30 EEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000247249508 464660255 /nfs/dbraw/zinc/66/02/55/464660255.db2.gz VZIXFJXBMZQLHQ-UONOGXRCSA-N 1 2 333.457 2.334 20 30 EEEDLO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nccs1 ZINC000190631002 464691860 /nfs/dbraw/zinc/69/18/60/464691860.db2.gz OMSUCAWJWCNIBB-WFASDCNBSA-N 1 2 326.425 2.466 20 30 EEEDLO Cc1cc(NC(=O)C2CC[NH+](CC(F)F)CC2)n(CCC#N)n1 ZINC000554550027 468419639 /nfs/dbraw/zinc/41/96/39/468419639.db2.gz VPQHMXOKFFUKSM-UHFFFAOYSA-N 1 2 325.363 2.021 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1C ZINC000273992872 464732529 /nfs/dbraw/zinc/73/25/29/464732529.db2.gz MEUTXGRENXMWMV-MRXNPFEDSA-N 1 2 344.459 2.010 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1C ZINC000273992872 464732533 /nfs/dbraw/zinc/73/25/33/464732533.db2.gz MEUTXGRENXMWMV-MRXNPFEDSA-N 1 2 344.459 2.010 20 30 EEEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NC[C@H](C)C#N)CC2)c1 ZINC000182840220 464740519 /nfs/dbraw/zinc/74/05/19/464740519.db2.gz YOMWKGCXIVUYKC-HUUCEWRRSA-N 1 2 330.432 2.243 20 30 EEEDLO CC1(C)[C@@H]2C[N@@H+](CC(=O)[C@H](C#N)c3nc4ccccc4c(=O)[nH]3)C[C@@H]21 ZINC000266000083 464760361 /nfs/dbraw/zinc/76/03/61/464760361.db2.gz IXNRNURVJLHDCS-MELADBBJSA-N 1 2 336.395 2.099 20 30 EEEDLO CC1(C)[C@@H]2C[N@H+](CC(=O)[C@H](C#N)c3nc4ccccc4c(=O)[nH]3)C[C@@H]21 ZINC000266000083 464760367 /nfs/dbraw/zinc/76/03/67/464760367.db2.gz IXNRNURVJLHDCS-MELADBBJSA-N 1 2 336.395 2.099 20 30 EEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000266890099 464859538 /nfs/dbraw/zinc/85/95/38/464859538.db2.gz CHZULYTXUJBWGW-IYBDPMFKSA-N 1 2 329.444 2.194 20 30 EEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000266890099 464859543 /nfs/dbraw/zinc/85/95/43/464859543.db2.gz CHZULYTXUJBWGW-IYBDPMFKSA-N 1 2 329.444 2.194 20 30 EEEDLO Cc1nc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)sc1C ZINC000176919970 464886731 /nfs/dbraw/zinc/88/67/31/464886731.db2.gz DIZBFOQRQFMLNZ-NSHDSACASA-N 1 2 328.445 2.132 20 30 EEEDLO Cc1nc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)sc1C ZINC000176919970 464886738 /nfs/dbraw/zinc/88/67/38/464886738.db2.gz DIZBFOQRQFMLNZ-NSHDSACASA-N 1 2 328.445 2.132 20 30 EEEDLO CN1CC[C@H](C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1=O ZINC000329398241 465320880 /nfs/dbraw/zinc/32/08/80/465320880.db2.gz WYANNUWRYOOCNG-STQMWFEESA-N 1 2 332.448 2.320 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329439475 465334198 /nfs/dbraw/zinc/33/41/98/465334198.db2.gz MRLUJINVPURJJY-GJZGRUSLSA-N 1 2 340.427 2.228 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329439475 465334204 /nfs/dbraw/zinc/33/42/04/465334204.db2.gz MRLUJINVPURJJY-GJZGRUSLSA-N 1 2 340.427 2.228 20 30 EEEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329753857 465423382 /nfs/dbraw/zinc/42/33/82/465423382.db2.gz KJUNEXWZTVTVQS-BBWFWOEESA-N 1 2 344.459 2.189 20 30 EEEDLO C[C@H](O)[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329757455 465425244 /nfs/dbraw/zinc/42/52/44/465425244.db2.gz MYIOYXZSMCXSNT-MJBXVCDLSA-N 1 2 334.464 2.112 20 30 EEEDLO Cc1[nH+]ccn1C[C@@H](C)C[NH+]=C([O-])N1CCC2(CNC(=O)C2)CC1 ZINC000329807740 465439775 /nfs/dbraw/zinc/43/97/75/465439775.db2.gz OWKHDZXECJHGJP-ZDUSSCGKSA-N 1 2 333.436 2.184 20 30 EEEDLO O=C(Nc1cc2c(cc1Cl)OCCO2)N1CCn2c[nH+]cc2C1 ZINC000329858647 465454046 /nfs/dbraw/zinc/45/40/46/465454046.db2.gz WEMOYYYKJXWGLC-UHFFFAOYSA-N 1 2 334.763 2.369 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000343402489 465514149 /nfs/dbraw/zinc/51/41/49/465514149.db2.gz LPZIMNNRCNSEFD-UHFFFAOYSA-N 1 2 335.492 2.156 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000343402489 465514153 /nfs/dbraw/zinc/51/41/53/465514153.db2.gz LPZIMNNRCNSEFD-UHFFFAOYSA-N 1 2 335.492 2.156 20 30 EEEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@H]2CCCC2(C)C)C1 ZINC000330070319 465522824 /nfs/dbraw/zinc/52/28/24/465522824.db2.gz WZHBYIYUXRLHGX-CABCVRRESA-N 1 2 331.464 2.475 20 30 EEEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@H]2CCCC2(C)C)C1 ZINC000330070319 465522830 /nfs/dbraw/zinc/52/28/30/465522830.db2.gz WZHBYIYUXRLHGX-CABCVRRESA-N 1 2 331.464 2.475 20 30 EEEDLO C=CC[N@H+](Cc1nc(C)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343555717 465526747 /nfs/dbraw/zinc/52/67/47/465526747.db2.gz FLCMXHMZDRCGMK-GFCCVEGCSA-N 1 2 325.376 2.103 20 30 EEEDLO C=CC[N@@H+](Cc1nc(C)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343555717 465526752 /nfs/dbraw/zinc/52/67/52/465526752.db2.gz FLCMXHMZDRCGMK-GFCCVEGCSA-N 1 2 325.376 2.103 20 30 EEEDLO N#CC1(F)CC[NH+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000352466346 465531703 /nfs/dbraw/zinc/53/17/03/465531703.db2.gz BYDAMRIEUQERIL-UHFFFAOYSA-N 1 2 340.402 2.380 20 30 EEEDLO C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000330102300 465533092 /nfs/dbraw/zinc/53/30/92/465533092.db2.gz FSHQSXNTXNTYIJ-GPMSIDNRSA-N 1 2 332.444 2.454 20 30 EEEDLO C[C@H](C(=O)NCCc1ccccc1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000330102300 465533096 /nfs/dbraw/zinc/53/30/96/465533096.db2.gz FSHQSXNTXNTYIJ-GPMSIDNRSA-N 1 2 332.444 2.454 20 30 EEEDLO COC(=O)c1ccc(N2CC[N@H+](C[C@@H](C#N)CCC#N)[C@H](C)C2)cc1 ZINC000352789815 465555384 /nfs/dbraw/zinc/55/53/84/465555384.db2.gz PNOFJRVOJPHFGF-HZPDHXFCSA-N 1 2 340.427 2.427 20 30 EEEDLO COC(=O)c1ccc(N2CC[N@@H+](C[C@@H](C#N)CCC#N)[C@H](C)C2)cc1 ZINC000352789815 465555389 /nfs/dbraw/zinc/55/53/89/465555389.db2.gz PNOFJRVOJPHFGF-HZPDHXFCSA-N 1 2 340.427 2.427 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N[C@@H](C)c2cccs2)cs1 ZINC000299222701 465654484 /nfs/dbraw/zinc/65/44/84/465654484.db2.gz UKLCQUIPFRKBII-VIFPVBQESA-N 1 2 338.458 2.222 20 30 EEEDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000362578743 465846093 /nfs/dbraw/zinc/84/60/93/465846093.db2.gz GCFOBOHUGOAHLX-HNNXBMFYSA-N 1 2 344.459 2.168 20 30 EEEDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000362578743 465846100 /nfs/dbraw/zinc/84/61/00/465846100.db2.gz GCFOBOHUGOAHLX-HNNXBMFYSA-N 1 2 344.459 2.168 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000366702275 465886265 /nfs/dbraw/zinc/88/62/65/465886265.db2.gz MXMZRGULCUIAOS-UAGQMJEPSA-N 1 2 331.416 2.226 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000345937159 465916486 /nfs/dbraw/zinc/91/64/86/465916486.db2.gz DCKDAHFUSYRFMT-HOTGVXAUSA-N 1 2 335.473 2.077 20 30 EEEDLO CCC[N@H+](CC(=O)OC(C)(C)C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000349251978 466037251 /nfs/dbraw/zinc/03/72/51/466037251.db2.gz RPFIBRJXSYHEOA-KBXCAEBGSA-N 1 2 339.480 2.483 20 30 EEEDLO CCC[N@@H+](CC(=O)OC(C)(C)C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000349251978 466037258 /nfs/dbraw/zinc/03/72/58/466037258.db2.gz RPFIBRJXSYHEOA-KBXCAEBGSA-N 1 2 339.480 2.483 20 30 EEEDLO CCC[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H](CC)C(=O)OCC ZINC000569455772 468494233 /nfs/dbraw/zinc/49/42/33/468494233.db2.gz BXWIPBYGKAKCLG-HNNXBMFYSA-N 1 2 329.404 2.155 20 30 EEEDLO CCC[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H](CC)C(=O)OCC ZINC000569455772 468494236 /nfs/dbraw/zinc/49/42/36/468494236.db2.gz BXWIPBYGKAKCLG-HNNXBMFYSA-N 1 2 329.404 2.155 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347337258 466576548 /nfs/dbraw/zinc/57/65/48/466576548.db2.gz ASRWHSCTRITZGC-HOTGVXAUSA-N 1 2 347.484 2.249 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347337258 466576557 /nfs/dbraw/zinc/57/65/57/466576557.db2.gz ASRWHSCTRITZGC-HOTGVXAUSA-N 1 2 347.484 2.249 20 30 EEEDLO COc1ccc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)cc1OCCCC#N ZINC000421361232 466654624 /nfs/dbraw/zinc/65/46/24/466654624.db2.gz KPXHZTVHQUFRHD-MRXNPFEDSA-N 1 2 348.443 2.349 20 30 EEEDLO COc1ccc(C[N@H+]2C[C@H](CO)OC(C)(C)C2)cc1OCCCC#N ZINC000421361232 466654630 /nfs/dbraw/zinc/65/46/30/466654630.db2.gz KPXHZTVHQUFRHD-MRXNPFEDSA-N 1 2 348.443 2.349 20 30 EEEDLO C=CCOc1cccc(NC(=O)NC(C)(C)C[NH+]2CCOCC2)c1 ZINC000416787085 466749270 /nfs/dbraw/zinc/74/92/70/466749270.db2.gz YUKRRVGNUHGEFI-UHFFFAOYSA-N 1 2 333.432 2.484 20 30 EEEDLO CC(C)OC(=O)[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)C(C)C ZINC000411780991 466900629 /nfs/dbraw/zinc/90/06/29/466900629.db2.gz BCXCOAHTCXPIJZ-KRWDZBQOSA-N 1 2 331.416 2.453 20 30 EEEDLO C=CCn1cc(C[NH2+]Cc2cc3c(cc2SC)OCCO3)nn1 ZINC000424173449 466997129 /nfs/dbraw/zinc/99/71/29/466997129.db2.gz PXRDKDAXANEVJA-UHFFFAOYSA-N 1 2 332.429 2.247 20 30 EEEDLO C[C@H](Nc1cc(C(F)(F)F)cnc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000413131450 467175564 /nfs/dbraw/zinc/17/55/64/467175564.db2.gz ZOMHXKLGUXMHLX-QWRGUYRKSA-N 1 2 328.338 2.493 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nc2ccc(F)cc2s1 ZINC000432746938 467261573 /nfs/dbraw/zinc/26/15/73/467261573.db2.gz GNIIMAUDROOMGL-UHFFFAOYSA-N 1 2 348.447 2.483 20 30 EEEDLO N#C[C@H](CCc1ccccc1)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000433176641 467301898 /nfs/dbraw/zinc/30/18/98/467301898.db2.gz OTFQSKNFSAPBQV-FQEVSTJZSA-N 1 2 348.450 2.498 20 30 EEEDLO CCc1ncc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cn1 ZINC000414366529 467406671 /nfs/dbraw/zinc/40/66/71/467406671.db2.gz AGTNJOVHPSMYRW-UHFFFAOYSA-N 1 2 325.391 2.372 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000414458483 467412894 /nfs/dbraw/zinc/41/28/94/467412894.db2.gz MMLCCYCLHHKUSZ-UHFFFAOYSA-N 1 2 336.442 2.186 20 30 EEEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000407972517 467488032 /nfs/dbraw/zinc/48/80/32/467488032.db2.gz MELAILUUMDWTOW-IAGOWNOFSA-N 1 2 340.471 2.470 20 30 EEEDLO Cc1ccc([C@H](CNC(=O)[C@]2(C#N)C[C@H]2C)[NH+]2CCOCC2)cc1 ZINC000448754889 467600123 /nfs/dbraw/zinc/60/01/23/467600123.db2.gz XTWHSNJFBBFKHB-AYBZRNKSSA-N 1 2 327.428 2.034 20 30 EEEDLO Cc1ccc([C@H](CNC(=O)[C@@]2(C#N)C[C@@H]2C)[NH+]2CCOCC2)cc1 ZINC000448754892 467600271 /nfs/dbraw/zinc/60/02/71/467600271.db2.gz XTWHSNJFBBFKHB-VDZJLULYSA-N 1 2 327.428 2.034 20 30 EEEDLO COc1cc(F)cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000449009078 467611985 /nfs/dbraw/zinc/61/19/85/467611985.db2.gz GNRMBTSDPGIOSO-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000457673911 467675182 /nfs/dbraw/zinc/67/51/82/467675182.db2.gz ZQKLHLPDWPRXNW-QGZVFWFLSA-N 1 2 346.475 2.444 20 30 EEEDLO C=CCC[C@H]([NH2+]Cc1cn(C)nc1-c1ccncc1)C(=O)OCC ZINC000449654747 467678728 /nfs/dbraw/zinc/67/87/28/467678728.db2.gz FNLUHQKVMZNXPX-INIZCTEOSA-N 1 2 328.416 2.470 20 30 EEEDLO N#CCc1ccc(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c(Cl)c1 ZINC000455731964 467696903 /nfs/dbraw/zinc/69/69/03/467696903.db2.gz LWZOPOZBNFJNTI-AWEZNQCLSA-N 1 2 348.834 2.391 20 30 EEEDLO N#CCc1ccc(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c(Cl)c1 ZINC000455731964 467696908 /nfs/dbraw/zinc/69/69/08/467696908.db2.gz LWZOPOZBNFJNTI-AWEZNQCLSA-N 1 2 348.834 2.391 20 30 EEEDLO CCn1cc[nH+]c1/C=C\C(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000492674970 467710207 /nfs/dbraw/zinc/71/02/07/467710207.db2.gz KNKPUKIXVCODDC-QNRLHKFMSA-N 1 2 328.416 2.370 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ncc(C#N)cn2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000497020736 467790028 /nfs/dbraw/zinc/79/00/28/467790028.db2.gz WLMCEKVBDYVFTA-TZMCWYRMSA-N 1 2 331.420 2.083 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ncc(C#N)cn2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000497020736 467790033 /nfs/dbraw/zinc/79/00/33/467790033.db2.gz WLMCEKVBDYVFTA-TZMCWYRMSA-N 1 2 331.420 2.083 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)C1=O ZINC000492968077 467807803 /nfs/dbraw/zinc/80/78/03/467807803.db2.gz HNCKKQYXDGGCOR-KFWWJZLASA-N 1 2 337.464 2.103 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)C1=O ZINC000492968077 467807806 /nfs/dbraw/zinc/80/78/06/467807806.db2.gz HNCKKQYXDGGCOR-KFWWJZLASA-N 1 2 337.464 2.103 20 30 EEEDLO CC(=O)c1cccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)c1 ZINC000450819374 467913721 /nfs/dbraw/zinc/91/37/21/467913721.db2.gz FKIJGPXPZJLRLH-UHFFFAOYSA-N 1 2 337.427 2.125 20 30 EEEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(F)cc3F)CC2)c1C#N ZINC000471822698 467976751 /nfs/dbraw/zinc/97/67/51/467976751.db2.gz PGHRYSJSSPQBKI-UHFFFAOYSA-N 1 2 331.370 2.201 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000516654668 468040501 /nfs/dbraw/zinc/04/05/01/468040501.db2.gz QWGVUBWVZVDRGE-MMPTUQATSA-N 1 2 325.334 2.167 20 30 EEEDLO CC(C)[C@H]([NH2+]Cc1cccc(C#N)c1F)c1nc(-c2nc[nH]n2)no1 ZINC000494636754 468075507 /nfs/dbraw/zinc/07/55/07/468075507.db2.gz ZBFUEOMQAYWBQF-ZDUSSCGKSA-N 1 2 341.350 2.352 20 30 EEEDLO CC(C)CN1C[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)CCN2C1=O ZINC000488733886 468100316 /nfs/dbraw/zinc/10/03/16/468100316.db2.gz MQQVYADPWZACNL-INIZCTEOSA-N 1 2 330.407 2.275 20 30 EEEDLO CC(C)CN1C[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)CCN2C1=O ZINC000488733886 468100318 /nfs/dbraw/zinc/10/03/18/468100318.db2.gz MQQVYADPWZACNL-INIZCTEOSA-N 1 2 330.407 2.275 20 30 EEEDLO CC(=NNc1[nH+]ccn1C)c1cnccc1NC(=O)OC(C)(C)C ZINC000495907357 468107150 /nfs/dbraw/zinc/10/71/50/468107150.db2.gz WRPJYBGWEXYCLK-UHFFFAOYSA-N 1 2 330.392 2.420 20 30 EEEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C/N=C\c1ccccc1O ZINC000496036228 468111644 /nfs/dbraw/zinc/11/16/44/468111644.db2.gz NHXAJIRWGKDFHU-VUQQOUJSSA-N 1 2 333.432 2.362 20 30 EEEDLO COc1cc(/C=C\C(=O)N(C)Cc2[nH+]ccn2C)ccc1OCC#N ZINC000490823616 468254769 /nfs/dbraw/zinc/25/47/69/468254769.db2.gz RIVKCDJXULFOJN-ALCCZGGFSA-N 1 2 340.383 2.003 20 30 EEEDLO COc1cc(Br)cc(NC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000591774515 468519269 /nfs/dbraw/zinc/51/92/69/468519269.db2.gz YUSOZNOUKNPQON-CYBMUJFWSA-N 1 2 342.237 2.076 20 30 EEEDLO COc1cc(Br)cc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000591774515 468519271 /nfs/dbraw/zinc/51/92/71/468519271.db2.gz YUSOZNOUKNPQON-CYBMUJFWSA-N 1 2 342.237 2.076 20 30 EEEDLO N#CC[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)C1 ZINC000594659565 468645854 /nfs/dbraw/zinc/64/58/54/468645854.db2.gz FMBBDGPMALDKCJ-IAQYHMDHSA-N 1 2 333.338 2.222 20 30 EEEDLO N#CC[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)C1 ZINC000594659565 468645857 /nfs/dbraw/zinc/64/58/57/468645857.db2.gz FMBBDGPMALDKCJ-IAQYHMDHSA-N 1 2 333.338 2.222 20 30 EEEDLO CC[C@H](C(=O)N1CCc2cc(C#N)ccc21)[N@@H+]1CCO[C@@H](CC)C1 ZINC000597771004 468664544 /nfs/dbraw/zinc/66/45/44/468664544.db2.gz AWLVKQFYPJQXIA-DLBZAZTESA-N 1 2 327.428 2.337 20 30 EEEDLO CC[C@H](C(=O)N1CCc2cc(C#N)ccc21)[N@H+]1CCO[C@@H](CC)C1 ZINC000597771004 468664549 /nfs/dbraw/zinc/66/45/49/468664549.db2.gz AWLVKQFYPJQXIA-DLBZAZTESA-N 1 2 327.428 2.337 20 30 EEEDLO CCn1ncc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000600945122 468691967 /nfs/dbraw/zinc/69/19/67/468691967.db2.gz IAYHZNIUUFOKRI-UHFFFAOYSA-N 1 2 337.427 2.041 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+](Cc2cccc(I)c2)C1 ZINC000592521908 468720111 /nfs/dbraw/zinc/72/01/11/468720111.db2.gz DJXIXFDSCMNQAO-ZDUSSCGKSA-N 1 2 342.180 2.142 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cccc(I)c2)C1 ZINC000592521908 468720115 /nfs/dbraw/zinc/72/01/15/468720115.db2.gz DJXIXFDSCMNQAO-ZDUSSCGKSA-N 1 2 342.180 2.142 20 30 EEEDLO C=CCCSCCNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000595116516 468763033 /nfs/dbraw/zinc/76/30/33/468763033.db2.gz ZRTXPKZZGVQWLY-UHFFFAOYSA-N 1 2 332.429 2.007 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](n3ccnn3)C2)cc1Cl ZINC000584109528 468801066 /nfs/dbraw/zinc/80/10/66/468801066.db2.gz KVRFYPXKCVDDKG-AWEZNQCLSA-N 1 2 344.806 2.079 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](n3ccnn3)C2)cc1Cl ZINC000584109528 468801074 /nfs/dbraw/zinc/80/10/74/468801074.db2.gz KVRFYPXKCVDDKG-AWEZNQCLSA-N 1 2 344.806 2.079 20 30 EEEDLO N#CC1(CNC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000571716529 468827359 /nfs/dbraw/zinc/82/73/59/468827359.db2.gz YWJXFNPJCPTEIA-UHFFFAOYSA-N 1 2 332.835 2.471 20 30 EEEDLO CCn1cc(C[N@H+](CC(=O)NCc2ccc(C#N)cc2)C(C)C)cn1 ZINC000593083781 468864868 /nfs/dbraw/zinc/86/48/68/468864868.db2.gz XYRUXVLYUGHYHO-UHFFFAOYSA-N 1 2 339.443 2.301 20 30 EEEDLO CCn1cc(C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C(C)C)cn1 ZINC000593083781 468864873 /nfs/dbraw/zinc/86/48/73/468864873.db2.gz XYRUXVLYUGHYHO-UHFFFAOYSA-N 1 2 339.443 2.301 20 30 EEEDLO COC(=O)c1ccc2c(c1)nc(C[N@@H+]1CCC[C@@H](CC#N)C1)[nH]c2=O ZINC000595613480 468921358 /nfs/dbraw/zinc/92/13/58/468921358.db2.gz DVADDGRHZZDYCW-LBPRGKRZSA-N 1 2 340.383 2.248 20 30 EEEDLO COC(=O)c1ccc2c(c1)nc(C[N@H+]1CCC[C@@H](CC#N)C1)[nH]c2=O ZINC000595613480 468921364 /nfs/dbraw/zinc/92/13/64/468921364.db2.gz DVADDGRHZZDYCW-LBPRGKRZSA-N 1 2 340.383 2.248 20 30 EEEDLO CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)CSCC#N)C2)o1 ZINC000610726524 469052283 /nfs/dbraw/zinc/05/22/83/469052283.db2.gz DHZPAIDJZOSMGB-ZDUSSCGKSA-N 1 2 336.461 2.087 20 30 EEEDLO CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)CSCC#N)C2)o1 ZINC000610726524 469052291 /nfs/dbraw/zinc/05/22/91/469052291.db2.gz DHZPAIDJZOSMGB-ZDUSSCGKSA-N 1 2 336.461 2.087 20 30 EEEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000614925261 469096439 /nfs/dbraw/zinc/09/64/39/469096439.db2.gz XTXIJBDDMYRKHS-DZGCQCFKSA-N 1 2 341.333 2.128 20 30 EEEDLO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000614925261 469096441 /nfs/dbraw/zinc/09/64/41/469096441.db2.gz XTXIJBDDMYRKHS-DZGCQCFKSA-N 1 2 341.333 2.128 20 30 EEEDLO N#CC1(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCC1 ZINC000573430449 469131306 /nfs/dbraw/zinc/13/13/06/469131306.db2.gz YGMJLPWKNUAIOW-KRWDZBQOSA-N 1 2 342.443 2.053 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)CNCC(F)(F)c1ccc(Cl)cc1 ZINC000573480340 469143349 /nfs/dbraw/zinc/14/33/49/469143349.db2.gz LIZZYCCYRQERFM-CQSZACIVSA-N 1 2 331.794 2.228 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)CNCC(F)(F)c1ccc(Cl)cc1 ZINC000573480340 469143355 /nfs/dbraw/zinc/14/33/55/469143355.db2.gz LIZZYCCYRQERFM-CQSZACIVSA-N 1 2 331.794 2.228 20 30 EEEDLO CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611175708 469182426 /nfs/dbraw/zinc/18/24/26/469182426.db2.gz KWOULARBKGTTIR-UHFFFAOYSA-N 1 2 342.487 2.345 20 30 EEEDLO CN(C)c1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cn1 ZINC000611260596 469211904 /nfs/dbraw/zinc/21/19/04/469211904.db2.gz MDTYXBIGRMMYSS-UHFFFAOYSA-N 1 2 339.418 2.481 20 30 EEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000563366574 469237037 /nfs/dbraw/zinc/23/70/37/469237037.db2.gz JFVKHDDALRXMIU-AAEUAGOBSA-N 1 2 332.404 2.262 20 30 EEEDLO C[C@@H](C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)[NH+]1CCOCC1 ZINC000563385684 469237403 /nfs/dbraw/zinc/23/74/03/469237403.db2.gz LZNOQHWCBIRBPG-SZMVWBNQSA-N 1 2 327.428 2.005 20 30 EEEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1CCOc1cccc(C#N)c1 ZINC000599443556 469258465 /nfs/dbraw/zinc/25/84/65/469258465.db2.gz AUXLARHYJAUHBL-IBGZPJMESA-N 1 2 348.410 2.041 20 30 EEEDLO C[C@H]1C[N@H+](CCNc2nc(C(F)(F)F)ccc2C#N)[C@@H](C)CO1 ZINC000596428795 469263770 /nfs/dbraw/zinc/26/37/70/469263770.db2.gz HYGBFYNQVTVGLT-QWRGUYRKSA-N 1 2 328.338 2.493 20 30 EEEDLO C[C@H]1C[N@@H+](CCNc2nc(C(F)(F)F)ccc2C#N)[C@@H](C)CO1 ZINC000596428795 469263773 /nfs/dbraw/zinc/26/37/73/469263773.db2.gz HYGBFYNQVTVGLT-QWRGUYRKSA-N 1 2 328.338 2.493 20 30 EEEDLO CC(C)[C@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000611517000 469270467 /nfs/dbraw/zinc/27/04/67/469270467.db2.gz TWCRCUWLGUJKNS-QZTJIDSGSA-N 1 2 327.428 2.410 20 30 EEEDLO CC(C)[C@H]1C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000611517000 469270470 /nfs/dbraw/zinc/27/04/70/469270470.db2.gz TWCRCUWLGUJKNS-QZTJIDSGSA-N 1 2 327.428 2.410 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@@](F)(C#N)C1)c1ccc(F)cc1 ZINC000615578179 469272508 /nfs/dbraw/zinc/27/25/08/469272508.db2.gz YFKXYVFOTBGTMQ-RHSMWYFYSA-N 1 2 345.353 2.296 20 30 EEEDLO N#Cc1c(F)cccc1-c1ccc(OCC[N@@H+]2CCNC(=O)C2)cc1 ZINC000596639230 469318826 /nfs/dbraw/zinc/31/88/26/469318826.db2.gz MFUHBFMKQPWROV-UHFFFAOYSA-N 1 2 339.370 2.175 20 30 EEEDLO N#Cc1c(F)cccc1-c1ccc(OCC[N@H+]2CCNC(=O)C2)cc1 ZINC000596639230 469318831 /nfs/dbraw/zinc/31/88/31/469318831.db2.gz MFUHBFMKQPWROV-UHFFFAOYSA-N 1 2 339.370 2.175 20 30 EEEDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000599697864 469342082 /nfs/dbraw/zinc/34/20/82/469342082.db2.gz BYEOIRKVRUPQBK-INIZCTEOSA-N 1 2 339.399 2.099 20 30 EEEDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000599697864 469342085 /nfs/dbraw/zinc/34/20/85/469342085.db2.gz BYEOIRKVRUPQBK-INIZCTEOSA-N 1 2 339.399 2.099 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798038 469391021 /nfs/dbraw/zinc/39/10/21/469391021.db2.gz BKBGJWLPCPTKFW-AUUYWEPGSA-N 1 2 328.412 2.177 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798038 469391027 /nfs/dbraw/zinc/39/10/27/469391027.db2.gz BKBGJWLPCPTKFW-AUUYWEPGSA-N 1 2 328.412 2.177 20 30 EEEDLO N#Cc1cccc(-n2ccc(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)n2)c1 ZINC000619612190 469650762 /nfs/dbraw/zinc/65/07/62/469650762.db2.gz BHVNKDOAZNRRTH-KRWDZBQOSA-N 1 2 346.394 2.418 20 30 EEEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1cc[nH+]c(C)c1Cl ZINC000613344474 469691113 /nfs/dbraw/zinc/69/11/13/469691113.db2.gz ZUPXKTHIVIYTQD-UHFFFAOYSA-N 1 2 337.788 2.146 20 30 EEEDLO N#C[C@@H](CCc1ccccc1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000617918705 469837129 /nfs/dbraw/zinc/83/71/29/469837129.db2.gz RLNYPFKBJFOWPA-RTBURBONSA-N 1 2 341.455 2.082 20 30 EEEDLO N#Cc1ccc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)nc1 ZINC000609564096 469940562 /nfs/dbraw/zinc/94/05/62/469940562.db2.gz GOHUCAXXFXHREW-QGZVFWFLSA-N 1 2 342.830 2.462 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NCc1nc(C[NH+]2CCCCC2)no1)OCC ZINC000614466433 469947465 /nfs/dbraw/zinc/94/74/65/469947465.db2.gz RITPLQLYFXSAMG-CQSZACIVSA-N 1 2 336.436 2.043 20 30 EEEDLO C[C@H]([C@H](C)NC(=O)N[C@@H](C)c1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000610354057 470006891 /nfs/dbraw/zinc/00/68/91/470006891.db2.gz OVVHWRDXWNPZON-SOUVJXGZSA-N 1 2 330.432 2.028 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nc(-c3ccccc3C)no2)nn1 ZINC000640900840 471106252 /nfs/dbraw/zinc/10/62/52/471106252.db2.gz UMYSMGSRZXEGQV-CQSZACIVSA-N 1 2 336.399 2.359 20 30 EEEDLO C=CCC1(C(=O)N2CC[NH+](CCOCCOC)CC2)CCCCC1 ZINC000652997747 471445981 /nfs/dbraw/zinc/44/59/81/471445981.db2.gz MFKMJDXMHNRYGU-UHFFFAOYSA-N 1 2 338.492 2.320 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1ccc(Br)cn1)[C@@H](C)COC ZINC000661243641 471687285 /nfs/dbraw/zinc/68/72/85/471687285.db2.gz LJBZNWWANOMBHO-NSHDSACASA-N 1 2 342.237 2.306 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Br)cn1)[C@@H](C)COC ZINC000661243641 471687289 /nfs/dbraw/zinc/68/72/89/471687289.db2.gz LJBZNWWANOMBHO-NSHDSACASA-N 1 2 342.237 2.306 20 30 EEEDLO C=CCCNC(=O)N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000665946339 472246704 /nfs/dbraw/zinc/24/67/04/472246704.db2.gz WDGQFPNLKMBPDH-MRXNPFEDSA-N 1 2 337.851 2.277 20 30 EEEDLO Cc1ccc(C#N)cc1NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183977991 534754100 /nfs/dbraw/zinc/75/41/00/534754100.db2.gz GYIGTQFOCZRRSK-UHFFFAOYSA-N 1 2 336.399 2.319 20 30 EEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000192219419 526832786 /nfs/dbraw/zinc/83/27/86/526832786.db2.gz CPVNDSLXDRDDRW-JTQLQIEISA-N 1 2 342.180 2.183 20 30 EEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000192219419 526832790 /nfs/dbraw/zinc/83/27/90/526832790.db2.gz CPVNDSLXDRDDRW-JTQLQIEISA-N 1 2 342.180 2.183 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179495530 527627813 /nfs/dbraw/zinc/62/78/13/527627813.db2.gz PQXQNAPRUQZCGO-ZBFHGGJFSA-N 1 2 343.475 2.451 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179495530 527627817 /nfs/dbraw/zinc/62/78/17/527627817.db2.gz PQXQNAPRUQZCGO-ZBFHGGJFSA-N 1 2 343.475 2.451 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000157600110 528358430 /nfs/dbraw/zinc/35/84/30/528358430.db2.gz YHNRCNPLSBLQDK-MRXNPFEDSA-N 1 2 345.418 2.483 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000157600110 528358436 /nfs/dbraw/zinc/35/84/36/528358436.db2.gz YHNRCNPLSBLQDK-MRXNPFEDSA-N 1 2 345.418 2.483 20 30 EEEDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000093771794 528361571 /nfs/dbraw/zinc/36/15/71/528361571.db2.gz NDOOYHQYOIZQFZ-INIZCTEOSA-N 1 2 345.443 2.478 20 30 EEEDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000093771794 528361577 /nfs/dbraw/zinc/36/15/77/528361577.db2.gz NDOOYHQYOIZQFZ-INIZCTEOSA-N 1 2 345.443 2.478 20 30 EEEDLO COC(=O)c1cccc(OCCO[NH+]=C(N)c2ccc(OC)cc2)c1 ZINC000733305592 577221943 /nfs/dbraw/zinc/22/19/43/577221943.db2.gz BJVASBOCQIXVRR-UHFFFAOYSA-N 1 2 344.367 2.198 20 30 EEEDLO C[S@@](=O)CC[NH+]1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000772074343 577249877 /nfs/dbraw/zinc/24/98/77/577249877.db2.gz GDFKPVUFGIWOCD-HSZRJFAPSA-N 1 2 345.390 2.078 20 30 EEEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O ZINC000766665567 577523034 /nfs/dbraw/zinc/52/30/34/577523034.db2.gz JGLWLBNPGDBJBL-IFXJQAMLSA-N 1 2 325.412 2.071 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O ZINC000766665567 577523035 /nfs/dbraw/zinc/52/30/35/577523035.db2.gz JGLWLBNPGDBJBL-IFXJQAMLSA-N 1 2 325.412 2.071 20 30 EEEDLO C#CCOCC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000766935833 577527285 /nfs/dbraw/zinc/52/72/85/577527285.db2.gz ATPSTWQDAWXESK-CQSZACIVSA-N 1 2 340.217 2.245 20 30 EEEDLO C#CCOCC[N@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000766935833 577527286 /nfs/dbraw/zinc/52/72/86/577527286.db2.gz ATPSTWQDAWXESK-CQSZACIVSA-N 1 2 340.217 2.245 20 30 EEEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)c2ccc(C#N)c(C)c2)c1C ZINC000767490434 577538072 /nfs/dbraw/zinc/53/80/72/577538072.db2.gz JHKZJIHEWCNDHU-UHFFFAOYSA-N 1 2 345.424 2.366 20 30 EEEDLO COc1cc(Cl)cc(C=NNc2ccc(-n3cc[nH+]c3)nn2)c1O ZINC000761838923 577689859 /nfs/dbraw/zinc/68/98/59/577689859.db2.gz OSNAQIJQXNOEOP-UHFFFAOYSA-N 1 2 344.762 2.476 20 30 EEEDLO C#C[C@H](CC)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000753264917 577784158 /nfs/dbraw/zinc/78/41/58/577784158.db2.gz NJHUMJMWBNNHCZ-CJNGLKHVSA-N 1 2 326.400 2.229 20 30 EEEDLO O=[N+]([O-])c1ccc(N=NCc2c(-n3cc[nH+]c3)nc3ccccn32)nc1 ZINC000755650345 577828527 /nfs/dbraw/zinc/82/85/27/577828527.db2.gz USROPZRCNSGVNA-UHFFFAOYSA-N 1 2 348.326 2.269 20 30 EEEDLO C=C(Br)CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000740742118 578106608 /nfs/dbraw/zinc/10/66/08/578106608.db2.gz IHCOCENLTOJHLO-UHFFFAOYSA-N 1 2 339.233 2.157 20 30 EEEDLO Cc1ccc(N2CC[C@H]([NH+]3CCN([C@H](C#N)C(C)C)CC3)C2=O)cc1 ZINC000741785022 578124083 /nfs/dbraw/zinc/12/40/83/578124083.db2.gz MSDSGEIDFFJHNQ-RBUKOAKNSA-N 1 2 340.471 2.266 20 30 EEEDLO C=C(Cl)CNC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000737030911 578233928 /nfs/dbraw/zinc/23/39/28/578233928.db2.gz XHQDXBGYIRCETC-CYBMUJFWSA-N 1 2 342.896 2.088 20 30 EEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@H](CC)CC1=O ZINC000819745827 606704872 /nfs/dbraw/zinc/70/48/72/606704872.db2.gz SFNFSJLGFJOHBK-CQSZACIVSA-N 1 2 340.431 2.071 20 30 EEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@H](CC)CC1=O ZINC000819745827 606704873 /nfs/dbraw/zinc/70/48/73/606704873.db2.gz SFNFSJLGFJOHBK-CQSZACIVSA-N 1 2 340.431 2.071 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CCO2)c1 ZINC000826386812 608070681 /nfs/dbraw/zinc/07/06/81/608070681.db2.gz UCDKLVLNCYVCAE-SFHVURJKSA-N 1 2 346.394 2.312 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CCO2)c1 ZINC000826386812 608070682 /nfs/dbraw/zinc/07/06/82/608070682.db2.gz UCDKLVLNCYVCAE-SFHVURJKSA-N 1 2 346.394 2.312 20 30 EEEDLO C[C@H](NC(=O)C1=COCCC1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969372676 674905167 /nfs/dbraw/zinc/90/51/67/674905167.db2.gz HCPZTSYQPJSBFO-ZDUSSCGKSA-N 1 2 343.402 2.328 20 30 EEEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](Cc2ccncc2Cl)C1 ZINC000969513674 675084860 /nfs/dbraw/zinc/08/48/60/675084860.db2.gz DQZNNHCLRGULDD-NSHDSACASA-N 1 2 343.818 2.185 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cn(C)nc2-c2ccco2)C1 ZINC000969648484 675145224 /nfs/dbraw/zinc/14/52/24/675145224.db2.gz JSCJSXORFAWBNP-GFCCVEGCSA-N 1 2 348.834 2.483 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(F)cn2)C1 ZINC000969693941 675169466 /nfs/dbraw/zinc/16/94/66/675169466.db2.gz YOLPLNOTLIKSGC-VHSSKADRSA-N 1 2 347.434 2.138 20 30 EEEDLO C[C@H](NC(=O)[C@H]1OCC[C@H]1C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970442014 675898318 /nfs/dbraw/zinc/89/83/18/675898318.db2.gz MIFGTMBXURKMIQ-VBHSOAQHSA-N 1 2 345.418 2.059 20 30 EEEDLO C[C@H](NC(=O)c1nccs1)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000970638322 676041705 /nfs/dbraw/zinc/04/17/05/676041705.db2.gz YFXFYHCVNOSQEZ-ZDUSSCGKSA-N 1 2 343.427 2.384 20 30 EEEDLO C[C@@H](NC(=O)c1ccns1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969771424 675198969 /nfs/dbraw/zinc/19/89/69/675198969.db2.gz BRQHHDNJHUOYQX-GFCCVEGCSA-N 1 2 326.425 2.265 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC000969830775 675236152 /nfs/dbraw/zinc/23/61/52/675236152.db2.gz SPVXTJCBBZKPON-NSHDSACASA-N 1 2 335.835 2.467 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](Cc3cncc(F)c3)C2)cc1 ZINC000970251040 675744155 /nfs/dbraw/zinc/74/41/55/675744155.db2.gz BVBTUDFZQJUOKL-AWEZNQCLSA-N 1 2 337.398 2.452 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cn(CCC(C)C)nn2)C1 ZINC000970410214 675863468 /nfs/dbraw/zinc/86/34/68/675863468.db2.gz CLXNGPNMFCUTIC-CYBMUJFWSA-N 1 2 339.871 2.127 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000970955498 676269157 /nfs/dbraw/zinc/26/91/57/676269157.db2.gz WVKFPGLWPLPTBM-GOSISDBHSA-N 1 2 345.418 2.157 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000970955498 676269159 /nfs/dbraw/zinc/26/91/59/676269159.db2.gz WVKFPGLWPLPTBM-GOSISDBHSA-N 1 2 345.418 2.157 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCCOCC2)s1 ZINC001038217935 676705726 /nfs/dbraw/zinc/70/57/26/676705726.db2.gz RITURDJADVFXDX-ZIAGYGMSSA-N 1 2 333.457 2.127 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCCOCC2)s1 ZINC001038217935 676705729 /nfs/dbraw/zinc/70/57/29/676705729.db2.gz RITURDJADVFXDX-ZIAGYGMSSA-N 1 2 333.457 2.127 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001058548013 678345860 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COc1ccc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)o1 ZINC001032069752 1192128686 /nfs/dbraw/zinc/12/86/86/1192128686.db2.gz BJEYERKESRZQRH-UHFFFAOYSA-N 1 2 343.358 2.161 20 30 EEEDLO C[C@@H]1C[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)CCO1 ZINC001032077638 1192248524 /nfs/dbraw/zinc/24/85/24/1192248524.db2.gz MAXRKSYEGAYLCR-CRAIPNDOSA-N 1 2 344.430 2.040 20 30 EEEDLO CC(C)n1cc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)cn1 ZINC001032120676 1192658041 /nfs/dbraw/zinc/65/80/41/1192658041.db2.gz ISCYMLKCHYFVDM-UHFFFAOYSA-N 1 2 337.427 2.197 20 30 EEEDLO C[N@H+](CCNC(=O)c1cnn(C(C)(C)C)c1)Cc1ccccc1C#N ZINC001480884222 1176841635 /nfs/dbraw/zinc/84/16/35/1176841635.db2.gz REGBVHUMRUFQEQ-UHFFFAOYSA-N 1 2 339.443 2.372 20 30 EEEDLO C[N@@H+](CCNC(=O)c1cnn(C(C)(C)C)c1)Cc1ccccc1C#N ZINC001480884222 1176841639 /nfs/dbraw/zinc/84/16/39/1176841639.db2.gz REGBVHUMRUFQEQ-UHFFFAOYSA-N 1 2 339.443 2.372 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cc(Cl)no1 ZINC001032143816 1192773189 /nfs/dbraw/zinc/77/31/89/1192773189.db2.gz IAKRNJTZXVJBCP-UHFFFAOYSA-N 1 2 329.787 2.041 20 30 EEEDLO Cc1nc(C)c(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)s1 ZINC001480945054 1179082200 /nfs/dbraw/zinc/08/22/00/1179082200.db2.gz VDTWBOJCUMUBRF-UHFFFAOYSA-N 1 2 328.441 2.493 20 30 EEEDLO Cc1nc(C)c(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)s1 ZINC001480945054 1179082206 /nfs/dbraw/zinc/08/22/06/1179082206.db2.gz VDTWBOJCUMUBRF-UHFFFAOYSA-N 1 2 328.441 2.493 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc(CNC(C)=O)cc1 ZINC001480987192 1179431335 /nfs/dbraw/zinc/43/13/35/1179431335.db2.gz YOZRHUMKGBFBPW-UHFFFAOYSA-N 1 2 337.851 2.127 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc(CNC(C)=O)cc1 ZINC001480987192 1179431337 /nfs/dbraw/zinc/43/13/37/1179431337.db2.gz YOZRHUMKGBFBPW-UHFFFAOYSA-N 1 2 337.851 2.127 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001267620886 1179979990 /nfs/dbraw/zinc/97/99/90/1179979990.db2.gz JGHTWYPSAAOTPK-KOHRHEQBSA-N 1 2 335.492 2.086 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001267620886 1179979998 /nfs/dbraw/zinc/97/99/98/1179979998.db2.gz JGHTWYPSAAOTPK-KOHRHEQBSA-N 1 2 335.492 2.086 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001481530129 1181654059 /nfs/dbraw/zinc/65/40/59/1181654059.db2.gz QOGMIBPNWNALIC-GOSISDBHSA-N 1 2 343.471 2.306 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001481530129 1181654063 /nfs/dbraw/zinc/65/40/63/1181654063.db2.gz QOGMIBPNWNALIC-GOSISDBHSA-N 1 2 343.471 2.306 20 30 EEEDLO CO[C@H]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032221051 1193213955 /nfs/dbraw/zinc/21/39/55/1193213955.db2.gz WCBRVXLVMKOCQJ-OALUTQOASA-N 1 2 341.455 2.311 20 30 EEEDLO CCC1(C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)CCC1 ZINC001270747455 1185363984 /nfs/dbraw/zinc/36/39/84/1185363984.db2.gz XDCDODJRPDPHLF-UHFFFAOYSA-N 1 2 326.444 2.121 20 30 EEEDLO C=CCCOCC(=O)N(C)CCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001105424025 1186837313 /nfs/dbraw/zinc/83/73/13/1186837313.db2.gz QLWBSHUTKBHCFL-UHFFFAOYSA-N 1 2 334.464 2.396 20 30 EEEDLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N)cc1F ZINC001482586786 1187002452 /nfs/dbraw/zinc/00/24/52/1187002452.db2.gz QZNZNBXLJUUZIP-ZIAGYGMSSA-N 1 2 348.422 2.011 20 30 EEEDLO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H](C)C#N)cc1F ZINC001482586786 1187002455 /nfs/dbraw/zinc/00/24/55/1187002455.db2.gz QZNZNBXLJUUZIP-ZIAGYGMSSA-N 1 2 348.422 2.011 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)cs1 ZINC001088511633 1187112731 /nfs/dbraw/zinc/11/27/31/1187112731.db2.gz WKBWNIGQMJOXSS-YGRLFVJLSA-N 1 2 329.429 2.044 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)cs1 ZINC001088511633 1187112734 /nfs/dbraw/zinc/11/27/34/1187112734.db2.gz WKBWNIGQMJOXSS-YGRLFVJLSA-N 1 2 329.429 2.044 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)c2)[C@H]1C ZINC001088522101 1187147431 /nfs/dbraw/zinc/14/74/31/1187147431.db2.gz VVAZNHOPZRNLAO-YPMHNXCESA-N 1 2 326.238 2.126 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)c2)[C@H]1C ZINC001088522101 1187147433 /nfs/dbraw/zinc/14/74/33/1187147433.db2.gz VVAZNHOPZRNLAO-YPMHNXCESA-N 1 2 326.238 2.126 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccn(C)c2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088522106 1187147763 /nfs/dbraw/zinc/14/77/63/1187147763.db2.gz WAOVIKDHBJBDDP-ACJLOTCBSA-N 1 2 340.402 2.429 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccn(C)c2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088522106 1187147767 /nfs/dbraw/zinc/14/77/67/1187147767.db2.gz WAOVIKDHBJBDDP-ACJLOTCBSA-N 1 2 340.402 2.429 20 30 EEEDLO C[C@H]1CC(=NN2C(=O)c3ccncc3C2=O)C[N@@H+]1Cc1ccccc1 ZINC000841651854 1187279314 /nfs/dbraw/zinc/27/93/14/1187279314.db2.gz BMZFGOFMTGPNQY-ZDUSSCGKSA-N 1 2 334.379 2.328 20 30 EEEDLO C[C@H]1CC(=NN2C(=O)c3ccncc3C2=O)C[N@H+]1Cc1ccccc1 ZINC000841651854 1187279319 /nfs/dbraw/zinc/27/93/19/1187279319.db2.gz BMZFGOFMTGPNQY-ZDUSSCGKSA-N 1 2 334.379 2.328 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4oc(=O)[nH]c4c3)[C@@H]2C1 ZINC001075911888 1187596890 /nfs/dbraw/zinc/59/68/90/1187596890.db2.gz HCYVWJWPVLTLSX-GXTWGEPZSA-N 1 2 347.802 2.432 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4oc(=O)[nH]c4c3)[C@@H]2C1 ZINC001075911888 1187596893 /nfs/dbraw/zinc/59/68/93/1187596893.db2.gz HCYVWJWPVLTLSX-GXTWGEPZSA-N 1 2 347.802 2.432 20 30 EEEDLO CCCC#CC(=O)N1CCCC2(C[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001272112596 1187914037 /nfs/dbraw/zinc/91/40/37/1187914037.db2.gz XYGMDUGZPCAYCC-UHFFFAOYSA-N 1 2 327.428 2.015 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cnco2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088779027 1188499647 /nfs/dbraw/zinc/49/96/47/1188499647.db2.gz IITOOZUDQXQFKT-ABAIWWIYSA-N 1 2 328.347 2.078 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cnco2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088779027 1188499648 /nfs/dbraw/zinc/49/96/48/1188499648.db2.gz IITOOZUDQXQFKT-ABAIWWIYSA-N 1 2 328.347 2.078 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCC[C@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001105679446 1188641998 /nfs/dbraw/zinc/64/19/98/1188641998.db2.gz XHZWYTCJNDJCNV-LSDHHAIUSA-N 1 2 346.479 2.299 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001076263638 1188815705 /nfs/dbraw/zinc/81/57/05/1188815705.db2.gz LWERATANFCLZGW-ZDKBSOKTSA-N 1 2 345.270 2.429 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001076263638 1188815711 /nfs/dbraw/zinc/81/57/11/1188815711.db2.gz LWERATANFCLZGW-ZDKBSOKTSA-N 1 2 345.270 2.429 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001076531764 1188972609 /nfs/dbraw/zinc/97/26/09/1188972609.db2.gz BUNWCQQNEVMIEK-AWEZNQCLSA-N 1 2 347.459 2.246 20 30 EEEDLO CN(C(=O)CCCn1cc[nH+]c1)C1CC(Nc2ccc(C#N)cn2)C1 ZINC001126967676 1189431256 /nfs/dbraw/zinc/43/12/56/1189431256.db2.gz KVBLRKBDEIDVJG-UHFFFAOYSA-N 1 2 338.415 2.031 20 30 EEEDLO CC[C@@H](C)N1C[C@]2(CC[N@H+](Cc3ccc(F)cc3C#N)C2)OCC1=O ZINC001272386651 1190796365 /nfs/dbraw/zinc/79/63/65/1190796365.db2.gz LEKJMACPJBZTNS-AUUYWEPGSA-N 1 2 345.418 2.299 20 30 EEEDLO CC[C@@H](C)N1C[C@]2(CC[N@@H+](Cc3ccc(F)cc3C#N)C2)OCC1=O ZINC001272386651 1190796369 /nfs/dbraw/zinc/79/63/69/1190796369.db2.gz LEKJMACPJBZTNS-AUUYWEPGSA-N 1 2 345.418 2.299 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1nccn1CC ZINC001484741575 1191493665 /nfs/dbraw/zinc/49/36/65/1191493665.db2.gz YRBRVPFVWUNVBT-UHFFFAOYSA-N 1 2 343.269 2.206 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1nccn1CC ZINC001484741575 1191493667 /nfs/dbraw/zinc/49/36/67/1191493667.db2.gz YRBRVPFVWUNVBT-UHFFFAOYSA-N 1 2 343.269 2.206 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cnc(-c3ccccc3)[nH]2)C1=O ZINC001272964452 1194272620 /nfs/dbraw/zinc/27/26/20/1194272620.db2.gz HZWZWVKDFWCEQU-HXUWFJFHSA-N 1 2 334.423 2.277 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cnc(-c3ccccc3)[nH]2)C1=O ZINC001272964452 1194272621 /nfs/dbraw/zinc/27/26/21/1194272621.db2.gz HZWZWVKDFWCEQU-HXUWFJFHSA-N 1 2 334.423 2.277 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2c[nH]c(-c3ccccc3)n2)C1=O ZINC001272964452 1194272625 /nfs/dbraw/zinc/27/26/25/1194272625.db2.gz HZWZWVKDFWCEQU-HXUWFJFHSA-N 1 2 334.423 2.277 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2c[nH]c(-c3ccccc3)n2)C1=O ZINC001272964452 1194272628 /nfs/dbraw/zinc/27/26/28/1194272628.db2.gz HZWZWVKDFWCEQU-HXUWFJFHSA-N 1 2 334.423 2.277 20 30 EEEDLO C=CCN1CC2(C[NH+](Cc3c(C)[nH]c4ccccc43)C2)OCC1=O ZINC001272987661 1194296118 /nfs/dbraw/zinc/29/61/18/1194296118.db2.gz GTFBIAVHPYORKK-UHFFFAOYSA-N 1 2 325.412 2.076 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3cccn3)n2)C1 ZINC001033413095 1194531491 /nfs/dbraw/zinc/53/14/91/1194531491.db2.gz MCWYITZDYBVOOZ-AWEZNQCLSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3cccn3)n2)C1 ZINC001033413095 1194531494 /nfs/dbraw/zinc/53/14/94/1194531494.db2.gz MCWYITZDYBVOOZ-AWEZNQCLSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2OCC)CC1 ZINC001005147142 1194564328 /nfs/dbraw/zinc/56/43/28/1194564328.db2.gz XOZXHDLMTNIRES-ZIAGYGMSSA-N 1 2 345.281 2.243 20 30 EEEDLO CCN(C(=O)c1cnns1)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001033760273 1195195847 /nfs/dbraw/zinc/19/58/47/1195195847.db2.gz JXKULIOYYJLSMB-HNNXBMFYSA-N 1 2 341.440 2.146 20 30 EEEDLO CCN(C(=O)c1cnns1)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033760273 1195195851 /nfs/dbraw/zinc/19/58/51/1195195851.db2.gz JXKULIOYYJLSMB-HNNXBMFYSA-N 1 2 341.440 2.146 20 30 EEEDLO CCc1cnc(C[N@H+]2CC[C@H](N(CC)C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001033801593 1195302638 /nfs/dbraw/zinc/30/26/38/1195302638.db2.gz VPOFIUHUOWBFOS-AWEZNQCLSA-N 1 2 341.415 2.173 20 30 EEEDLO CCc1cnc(C[N@@H+]2CC[C@H](N(CC)C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001033801593 1195302641 /nfs/dbraw/zinc/30/26/41/1195302641.db2.gz VPOFIUHUOWBFOS-AWEZNQCLSA-N 1 2 341.415 2.173 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001033855493 1195388572 /nfs/dbraw/zinc/38/85/72/1195388572.db2.gz ADEXVTQEZHWDHN-ZDUSSCGKSA-N 1 2 339.871 2.322 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001033855493 1195388576 /nfs/dbraw/zinc/38/85/76/1195388576.db2.gz ADEXVTQEZHWDHN-ZDUSSCGKSA-N 1 2 339.871 2.322 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001033875397 1195411964 /nfs/dbraw/zinc/41/19/64/1195411964.db2.gz SIWLURQHEMTDMS-GJZGRUSLSA-N 1 2 336.867 2.121 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001033875397 1195411966 /nfs/dbraw/zinc/41/19/66/1195411966.db2.gz SIWLURQHEMTDMS-GJZGRUSLSA-N 1 2 336.867 2.121 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cnc3nccn3c2)C1 ZINC001033900393 1195450938 /nfs/dbraw/zinc/45/09/38/1195450938.db2.gz ISCMOJHZEOJORN-CQSZACIVSA-N 1 2 333.823 2.018 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnc3nccn3c2)C1 ZINC001033900393 1195450939 /nfs/dbraw/zinc/45/09/39/1195450939.db2.gz ISCMOJHZEOJORN-CQSZACIVSA-N 1 2 333.823 2.018 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001033959175 1195561492 /nfs/dbraw/zinc/56/14/92/1195561492.db2.gz CIRIMIVNELMHFG-JZXOWHBKSA-N 1 2 347.459 2.305 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001033959175 1195561494 /nfs/dbraw/zinc/56/14/94/1195561494.db2.gz CIRIMIVNELMHFG-JZXOWHBKSA-N 1 2 347.459 2.305 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3nncn3c2)C1 ZINC001033987624 1195595611 /nfs/dbraw/zinc/59/56/11/1195595611.db2.gz RRZIVALWGHGVDR-AWEZNQCLSA-N 1 2 333.823 2.018 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3nncn3c2)C1 ZINC001033987624 1195595614 /nfs/dbraw/zinc/59/56/14/1195595614.db2.gz RRZIVALWGHGVDR-AWEZNQCLSA-N 1 2 333.823 2.018 20 30 EEEDLO CCc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001034172412 1195896785 /nfs/dbraw/zinc/89/67/85/1195896785.db2.gz GGKHYSRMGUJDSP-CQSZACIVSA-N 1 2 341.415 2.221 20 30 EEEDLO CCc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001034172412 1195896789 /nfs/dbraw/zinc/89/67/89/1195896789.db2.gz GGKHYSRMGUJDSP-CQSZACIVSA-N 1 2 341.415 2.221 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnn3ncccc23)C1 ZINC001034246240 1195998549 /nfs/dbraw/zinc/99/85/49/1195998549.db2.gz WJYMNOVLJRCUCV-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnn3ncccc23)C1 ZINC001034246240 1195998550 /nfs/dbraw/zinc/99/85/50/1195998550.db2.gz WJYMNOVLJRCUCV-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(OCC)n[nH]2)C1 ZINC001034262513 1196013827 /nfs/dbraw/zinc/01/38/27/1196013827.db2.gz NEXVCHIBXUIXIH-LBPRGKRZSA-N 1 2 326.828 2.145 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(OCC)n[nH]2)C1 ZINC001034262513 1196013830 /nfs/dbraw/zinc/01/38/30/1196013830.db2.gz NEXVCHIBXUIXIH-LBPRGKRZSA-N 1 2 326.828 2.145 20 30 EEEDLO C=C(Cl)CN1CC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001038556914 1196089488 /nfs/dbraw/zinc/08/94/88/1196089488.db2.gz BCFCNQZKHQZDFE-MRXNPFEDSA-N 1 2 330.819 2.429 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCCC[C@@H](NC(=O)c3[nH]ncc3F)C2)c1 ZINC001034382129 1196164637 /nfs/dbraw/zinc/16/46/37/1196164637.db2.gz QSMYHZNIYHYVSW-OAHLLOKOSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@@H](NC(=O)c3[nH]ncc3F)C2)c1 ZINC001034382129 1196164640 /nfs/dbraw/zinc/16/46/40/1196164640.db2.gz QSMYHZNIYHYVSW-OAHLLOKOSA-N 1 2 341.390 2.205 20 30 EEEDLO C[C@H]1[C@@H](Nc2ncccc2C#N)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001090220093 1196340073 /nfs/dbraw/zinc/34/00/73/1196340073.db2.gz DKYURIZUTVUPRJ-HOCLYGCPSA-N 1 2 338.415 2.031 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC001014864806 1224462214 /nfs/dbraw/zinc/46/22/14/1224462214.db2.gz SZZDNDPMVPNJEZ-GOSISDBHSA-N 1 2 348.450 2.075 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC001014864806 1224462216 /nfs/dbraw/zinc/46/22/16/1224462216.db2.gz SZZDNDPMVPNJEZ-GOSISDBHSA-N 1 2 348.450 2.075 20 30 EEEDLO N#Cc1cccc(Br)c1N1CC[NH+](CCCCO)CC1 ZINC000865554550 1198273775 /nfs/dbraw/zinc/27/37/75/1198273775.db2.gz JTFKMZXDGDDGAF-UHFFFAOYSA-N 1 2 338.249 2.215 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2occc2C(C)C)[C@H](O)C1 ZINC001090513862 1199181835 /nfs/dbraw/zinc/18/18/35/1199181835.db2.gz CYOUINVCCPZMJQ-ZIAGYGMSSA-N 1 2 326.824 2.321 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2occc2C(C)C)[C@H](O)C1 ZINC001090513862 1199181838 /nfs/dbraw/zinc/18/18/38/1199181838.db2.gz CYOUINVCCPZMJQ-ZIAGYGMSSA-N 1 2 326.824 2.321 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2cccc(C)c2F)CC[C@@H]1C ZINC001132055107 1199242193 /nfs/dbraw/zinc/24/21/93/1199242193.db2.gz XKIBRPJKQMEKNF-GJZGRUSLSA-N 1 2 347.434 2.019 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2cccc(C)c2F)CC[C@@H]1C ZINC001132055107 1199242199 /nfs/dbraw/zinc/24/21/99/1199242199.db2.gz XKIBRPJKQMEKNF-GJZGRUSLSA-N 1 2 347.434 2.019 20 30 EEEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(CS(C)(=O)=O)CC2)cc1 ZINC000814178652 1199327787 /nfs/dbraw/zinc/32/77/87/1199327787.db2.gz YDXTXLIZDLSVNJ-CQSZACIVSA-N 1 2 336.457 2.234 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001014929025 1224549717 /nfs/dbraw/zinc/54/97/17/1224549717.db2.gz CJPLYMFCAJSAFZ-CQSZACIVSA-N 1 2 335.835 2.072 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001014929025 1224549722 /nfs/dbraw/zinc/54/97/22/1224549722.db2.gz CJPLYMFCAJSAFZ-CQSZACIVSA-N 1 2 335.835 2.072 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCS(=O)(=O)CC)C1 ZINC001132256516 1199496777 /nfs/dbraw/zinc/49/67/77/1199496777.db2.gz NZHZSUOEYWIJSF-CVEARBPZSA-N 1 2 344.521 2.137 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCS(=O)(=O)CC)C1 ZINC001132256516 1199496780 /nfs/dbraw/zinc/49/67/80/1199496780.db2.gz NZHZSUOEYWIJSF-CVEARBPZSA-N 1 2 344.521 2.137 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2ccc(C)cc2F)CC[C@H]1C ZINC001132322793 1199589171 /nfs/dbraw/zinc/58/91/71/1199589171.db2.gz VIJYLCREBFIOJH-CABCVRRESA-N 1 2 347.434 2.019 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C)cc2F)CC[C@H]1C ZINC001132322793 1199589175 /nfs/dbraw/zinc/58/91/75/1199589175.db2.gz VIJYLCREBFIOJH-CABCVRRESA-N 1 2 347.434 2.019 20 30 EEEDLO S=C(NC[C@H]1CCCO1)N[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000814728529 1199688507 /nfs/dbraw/zinc/68/85/07/1199688507.db2.gz ZQRGITAQALHMPW-VXGBXAGGSA-N 1 2 330.457 2.337 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(C)(C)CCCCC)CC[C@@H]1C ZINC001132503701 1199787948 /nfs/dbraw/zinc/78/79/48/1199787948.db2.gz CXMAZNSPOOFPSJ-DLBZAZTESA-N 1 2 349.519 2.311 20 30 EEEDLO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)C(C)(C)CCCCC)CC[C@@H]1C ZINC001132503701 1199787952 /nfs/dbraw/zinc/78/79/52/1199787952.db2.gz CXMAZNSPOOFPSJ-DLBZAZTESA-N 1 2 349.519 2.311 20 30 EEEDLO C=C(Cl)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001018317010 1224601874 /nfs/dbraw/zinc/60/18/74/1224601874.db2.gz FTDQYRMTKXFMIK-BBWFWOEESA-N 1 2 348.878 2.112 20 30 EEEDLO C=CCCC1(C(=O)NCC[NH2+]Cc2noc(-c3ccoc3)n2)CC1 ZINC001133373864 1200810684 /nfs/dbraw/zinc/81/06/84/1200810684.db2.gz JGVRPKIDPFAZHG-UHFFFAOYSA-N 1 2 330.388 2.282 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cnc3ccccn23)C1 ZINC001015008311 1224640263 /nfs/dbraw/zinc/64/02/63/1224640263.db2.gz JGVWURHLZQVTDG-QGZVFWFLSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cnc3ccccn23)C1 ZINC001015008311 1224640267 /nfs/dbraw/zinc/64/02/67/1224640267.db2.gz JGVWURHLZQVTDG-QGZVFWFLSA-N 1 2 345.406 2.210 20 30 EEEDLO COC(=O)CC[C@H]1CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000880037212 1201357835 /nfs/dbraw/zinc/35/78/35/1201357835.db2.gz DQMYVZMLXLXCLU-CQSZACIVSA-N 1 2 347.415 2.372 20 30 EEEDLO COC(=O)CC[C@H]1CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000880037212 1201357838 /nfs/dbraw/zinc/35/78/38/1201357838.db2.gz DQMYVZMLXLXCLU-CQSZACIVSA-N 1 2 347.415 2.372 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001018402104 1224679907 /nfs/dbraw/zinc/67/99/07/1224679907.db2.gz ZABZTUSZOMMKKL-ZBFHGGJFSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001018402104 1224679914 /nfs/dbraw/zinc/67/99/14/1224679914.db2.gz ZABZTUSZOMMKKL-ZBFHGGJFSA-N 1 2 344.459 2.194 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)c2ccc(C(F)(F)F)cc2)nn1 ZINC000881425266 1201698092 /nfs/dbraw/zinc/69/80/92/1201698092.db2.gz PEOHNBMJHGUFQU-HNNXBMFYSA-N 1 2 338.333 2.143 20 30 EEEDLO C=CCC1(O)CC[NH+](CN2C(=O)N[C@](C)(C3CCCCC3)C2=O)CC1 ZINC000884479106 1202324963 /nfs/dbraw/zinc/32/49/63/1202324963.db2.gz WOKQVHJICOEILL-GOSISDBHSA-N 1 2 349.475 2.238 20 30 EEEDLO C#CCN1CCC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000886209040 1202480852 /nfs/dbraw/zinc/48/08/52/1202480852.db2.gz CSGUOORMDLEGQU-CYBMUJFWSA-N 1 2 341.224 2.481 20 30 EEEDLO N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c[nH]1 ZINC001095337003 1202493004 /nfs/dbraw/zinc/49/30/04/1202493004.db2.gz AHSMINMLPIHJPG-QYZOEREBSA-N 1 2 345.406 2.293 20 30 EEEDLO N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c[nH]1 ZINC001095337003 1202493005 /nfs/dbraw/zinc/49/30/05/1202493005.db2.gz AHSMINMLPIHJPG-QYZOEREBSA-N 1 2 345.406 2.293 20 30 EEEDLO N#Cc1ncccc1C(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001274016738 1204323056 /nfs/dbraw/zinc/32/30/56/1204323056.db2.gz OZPMYFAXRZPVEQ-UHFFFAOYSA-N 1 2 338.333 2.196 20 30 EEEDLO N#Cc1ncccc1C(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001274016738 1204323057 /nfs/dbraw/zinc/32/30/57/1204323057.db2.gz OZPMYFAXRZPVEQ-UHFFFAOYSA-N 1 2 338.333 2.196 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@]23CCN(C2COC2)C3=O)c(Cl)c1 ZINC001274103005 1204370943 /nfs/dbraw/zinc/37/09/43/1204370943.db2.gz AAOCZXKDGSPBRG-GOSISDBHSA-N 1 2 345.830 2.177 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@]23CCN(C2COC2)C3=O)c(Cl)c1 ZINC001274103005 1204370946 /nfs/dbraw/zinc/37/09/46/1204370946.db2.gz AAOCZXKDGSPBRG-GOSISDBHSA-N 1 2 345.830 2.177 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@]23CCN(C2COC2)C3=O)cc1Cl ZINC001274491972 1205057059 /nfs/dbraw/zinc/05/70/59/1205057059.db2.gz DZVCFVXSLPIKAD-GOSISDBHSA-N 1 2 345.830 2.177 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@]23CCN(C2COC2)C3=O)cc1Cl ZINC001274491972 1205057063 /nfs/dbraw/zinc/05/70/63/1205057063.db2.gz DZVCFVXSLPIKAD-GOSISDBHSA-N 1 2 345.830 2.177 20 30 EEEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1cc(C)c(C)cc1OC)C2 ZINC001274583980 1205087413 /nfs/dbraw/zinc/08/74/13/1205087413.db2.gz CEXITBJLXUTJSE-UHFFFAOYSA-N 1 2 344.455 2.301 20 30 EEEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CCN(CC(F)F)C3=O)CC2)c1 ZINC001274668076 1205124991 /nfs/dbraw/zinc/12/49/91/1205124991.db2.gz VPJVCLAKVTVUKI-UHFFFAOYSA-N 1 2 349.381 2.343 20 30 EEEDLO Cn1c[nH+]cc1CN1CC[C@@]2(CCCN2c2ccccc2C#N)C1=O ZINC001274817243 1205172128 /nfs/dbraw/zinc/17/21/28/1205172128.db2.gz JTHZPLDBERYTNB-IBGZPJMESA-N 1 2 335.411 2.063 20 30 EEEDLO Cc1cc(C[NH+]2CC3(CN(Cc4cc(F)cc(C#N)c4)C3)C2)n(C)n1 ZINC001275413386 1205347393 /nfs/dbraw/zinc/34/73/93/1205347393.db2.gz JTTJBPPIFIKEMA-UHFFFAOYSA-N 1 2 339.418 2.057 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC3(CN(C(=O)CCc4ccc[nH]4)C3)C2)s1 ZINC001275584703 1205431129 /nfs/dbraw/zinc/43/11/29/1205431129.db2.gz GSGJTSNQPDFXRJ-UHFFFAOYSA-N 1 2 340.452 2.225 20 30 EEEDLO CC(C)NC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001275600905 1205438504 /nfs/dbraw/zinc/43/85/04/1205438504.db2.gz XSJAVNAEZYVKFV-IRXDYDNUSA-N 1 2 330.407 2.464 20 30 EEEDLO CC(C)NC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001275600905 1205438506 /nfs/dbraw/zinc/43/85/06/1205438506.db2.gz XSJAVNAEZYVKFV-IRXDYDNUSA-N 1 2 330.407 2.464 20 30 EEEDLO Cc1ccsc1C[NH+]1CC2(CCN2C(=O)C2(C#N)CCOCC2)C1 ZINC001275859724 1205569535 /nfs/dbraw/zinc/56/95/35/1205569535.db2.gz RSEOSTNSVPWWEJ-UHFFFAOYSA-N 1 2 345.468 2.164 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095418331 1205721951 /nfs/dbraw/zinc/72/19/51/1205721951.db2.gz FHQLHNCBBPQZMH-CQSZACIVSA-N 1 2 332.448 2.078 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCCCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001095580875 1205880778 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VEOGKQKPGAQSCL-ZACQAIPSSA-N 1 2 347.503 2.369 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(OC)n1 ZINC001110936650 1206317160 /nfs/dbraw/zinc/31/71/60/1206317160.db2.gz YPNUWBDQNBKRIU-SVGFKBNWSA-N 1 2 344.459 2.309 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(OC)n1 ZINC001110936650 1206317163 /nfs/dbraw/zinc/31/71/63/1206317163.db2.gz YPNUWBDQNBKRIU-SVGFKBNWSA-N 1 2 344.459 2.309 20 30 EEEDLO C[C@H]1C[C@H](NC(=O)c2ccn[nH]2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947083826 1207627388 /nfs/dbraw/zinc/62/73/88/1207627388.db2.gz BORYLHBNOUJFSO-BLLLJJGKSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@H]1C[C@H](NC(=O)c2ccn[nH]2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947083826 1207627390 /nfs/dbraw/zinc/62/73/90/1207627390.db2.gz BORYLHBNOUJFSO-BLLLJJGKSA-N 1 2 341.390 2.203 20 30 EEEDLO C[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000778807854 1208360056 /nfs/dbraw/zinc/36/00/56/1208360056.db2.gz MWESRBIADKBGCD-IAGOWNOFSA-N 1 2 341.411 2.081 20 30 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/nfs/dbraw/zinc/94/21/94/1216942194.db2.gz BDKQMEBISNCAHL-QGZVFWFLSA-N 1 2 340.452 2.256 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000963363234 1217558697 /nfs/dbraw/zinc/55/86/97/1217558697.db2.gz ITCNKJDYGKSYEB-MAUKXSAKSA-N 1 2 326.444 2.237 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000963363234 1217558699 /nfs/dbraw/zinc/55/86/99/1217558699.db2.gz ITCNKJDYGKSYEB-MAUKXSAKSA-N 1 2 326.444 2.237 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1cocn1 ZINC000965561958 1219146014 /nfs/dbraw/zinc/14/60/14/1219146014.db2.gz SSPUPXLLFWEUFI-BLLLJJGKSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1cocn1 ZINC000965561958 1219146016 /nfs/dbraw/zinc/14/60/16/1219146016.db2.gz SSPUPXLLFWEUFI-BLLLJJGKSA-N 1 2 342.374 2.326 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@@H](C)[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)c(C)o1 ZINC000965850354 1219289459 /nfs/dbraw/zinc/28/94/59/1219289459.db2.gz 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ZINC000968548409 1221394297 /nfs/dbraw/zinc/39/42/97/1221394297.db2.gz GGBWGVINTXHIGL-SUMWQHHRSA-N 1 2 340.452 2.160 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccns3)CC[C@@H]2C)nc1 ZINC000968548409 1221394301 /nfs/dbraw/zinc/39/43/01/1221394301.db2.gz GGBWGVINTXHIGL-SUMWQHHRSA-N 1 2 340.452 2.160 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccnc2N(C)C)C1 ZINC000968643572 1221458915 /nfs/dbraw/zinc/45/89/15/1221458915.db2.gz NWPUYABTYVAOLW-SWLSCSKDSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccnc2N(C)C)C1 ZINC000968643572 1221458917 /nfs/dbraw/zinc/45/89/17/1221458917.db2.gz NWPUYABTYVAOLW-SWLSCSKDSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc(OCC)cn2)C1 ZINC000968710740 1221508358 /nfs/dbraw/zinc/50/83/58/1221508358.db2.gz SNPLVTZXFONXFI-FZMZJTMJSA-N 1 2 338.839 2.068 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc(OCC)cn2)C1 ZINC000968710740 1221508361 /nfs/dbraw/zinc/50/83/61/1221508361.db2.gz SNPLVTZXFONXFI-FZMZJTMJSA-N 1 2 338.839 2.068 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCCC[N@@H+]2Cc2ccon2)c1 ZINC000968800222 1221580343 /nfs/dbraw/zinc/58/03/43/1221580343.db2.gz NCJKIGCLFBTXIL-HNNXBMFYSA-N 1 2 327.388 2.049 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCCC[N@H+]2Cc2ccon2)c1 ZINC000968800222 1221580346 /nfs/dbraw/zinc/58/03/46/1221580346.db2.gz NCJKIGCLFBTXIL-HNNXBMFYSA-N 1 2 327.388 2.049 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCCC[N@@H+]2Cc2cnon2)cc1 ZINC000968976682 1221712970 /nfs/dbraw/zinc/71/29/70/1221712970.db2.gz HVEONDDQRJWJAD-GOSISDBHSA-N 1 2 338.411 2.226 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCCC[N@H+]2Cc2cnon2)cc1 ZINC000968976682 1221712971 /nfs/dbraw/zinc/71/29/71/1221712971.db2.gz HVEONDDQRJWJAD-GOSISDBHSA-N 1 2 338.411 2.226 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)sc1C ZINC001007135778 1222106879 /nfs/dbraw/zinc/10/68/79/1222106879.db2.gz ZOQDZTZZNACHLA-AWEZNQCLSA-N 1 2 343.456 2.354 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)sc1C ZINC001007135778 1222106882 /nfs/dbraw/zinc/10/68/82/1222106882.db2.gz ZOQDZTZZNACHLA-AWEZNQCLSA-N 1 2 343.456 2.354 20 30 EEEDLO Cc1ccnc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001007210053 1222130223 /nfs/dbraw/zinc/13/02/23/1222130223.db2.gz MVGGEVMDYKPPOM-CYBMUJFWSA-N 1 2 341.440 2.113 20 30 EEEDLO Cc1ccnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001007210053 1222130227 /nfs/dbraw/zinc/13/02/27/1222130227.db2.gz MVGGEVMDYKPPOM-CYBMUJFWSA-N 1 2 341.440 2.113 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)nn1 ZINC001007313324 1222165638 /nfs/dbraw/zinc/16/56/38/1222165638.db2.gz SNPFEGRRAKVHSJ-CYBMUJFWSA-N 1 2 341.440 2.113 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)nn1 ZINC001007313324 1222165639 /nfs/dbraw/zinc/16/56/39/1222165639.db2.gz SNPFEGRRAKVHSJ-CYBMUJFWSA-N 1 2 341.440 2.113 20 30 EEEDLO Cc1nnccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001007815057 1222435409 /nfs/dbraw/zinc/43/54/09/1222435409.db2.gz RHNXZCUOQORIAU-QGZVFWFLSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1nnccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001007815057 1222435410 /nfs/dbraw/zinc/43/54/10/1222435410.db2.gz RHNXZCUOQORIAU-QGZVFWFLSA-N 1 2 335.411 2.051 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC001007977210 1222542271 /nfs/dbraw/zinc/54/22/71/1222542271.db2.gz ISGKCEDZDNFPTM-MRXNPFEDSA-N 1 2 326.375 2.420 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC001007977210 1222542274 /nfs/dbraw/zinc/54/22/74/1222542274.db2.gz ISGKCEDZDNFPTM-MRXNPFEDSA-N 1 2 326.375 2.420 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(OC)ccn3)C2)cc1 ZINC001008148134 1222652427 /nfs/dbraw/zinc/65/24/27/1222652427.db2.gz LEFFBNBDGOXCHI-GOSISDBHSA-N 1 2 349.434 2.466 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(OC)ccn3)C2)cc1 ZINC001008148134 1222652429 /nfs/dbraw/zinc/65/24/29/1222652429.db2.gz LEFFBNBDGOXCHI-GOSISDBHSA-N 1 2 349.434 2.466 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2NC(=O)c3ccccc32)C1 ZINC001008948899 1223091245 /nfs/dbraw/zinc/09/12/45/1223091245.db2.gz GDVZLRBTBWJPAP-CJNGLKHVSA-N 1 2 347.846 2.194 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2NC(=O)c3ccccc32)C1 ZINC001008948899 1223091248 /nfs/dbraw/zinc/09/12/48/1223091248.db2.gz GDVZLRBTBWJPAP-CJNGLKHVSA-N 1 2 347.846 2.194 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccnc(F)c3)C2)cc1F ZINC001010356200 1223678633 /nfs/dbraw/zinc/67/86/33/1223678633.db2.gz AALTVFFWDBAGRK-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccnc(F)c3)C2)cc1F ZINC001010356200 1223678635 /nfs/dbraw/zinc/67/86/35/1223678635.db2.gz AALTVFFWDBAGRK-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)c1C ZINC001010398756 1223699900 /nfs/dbraw/zinc/69/99/00/1223699900.db2.gz XBSMWDROGNLHNO-KRWDZBQOSA-N 1 2 340.402 2.021 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)c1C ZINC001010398756 1223699902 /nfs/dbraw/zinc/69/99/02/1223699902.db2.gz XBSMWDROGNLHNO-KRWDZBQOSA-N 1 2 340.402 2.021 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccncc3F)C2)cc1F ZINC001010417549 1223711803 /nfs/dbraw/zinc/71/18/03/1223711803.db2.gz GGOJPTTZMSKAHQ-CQSZACIVSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccncc3F)C2)cc1F ZINC001010417549 1223711806 /nfs/dbraw/zinc/71/18/06/1223711806.db2.gz GGOJPTTZMSKAHQ-CQSZACIVSA-N 1 2 342.349 2.236 20 30 EEEDLO Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001010420650 1223712845 /nfs/dbraw/zinc/71/28/45/1223712845.db2.gz DGENQUYQLCIEQO-CQSZACIVSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001010420650 1223712847 /nfs/dbraw/zinc/71/28/47/1223712847.db2.gz DGENQUYQLCIEQO-CQSZACIVSA-N 1 2 326.425 2.328 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ncc2n1CCCC2 ZINC001016297196 1226315543 /nfs/dbraw/zinc/31/55/43/1226315543.db2.gz LOKHYEHFPMIUDH-GOSISDBHSA-N 1 2 348.450 2.075 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ncc2n1CCCC2 ZINC001016297196 1226315550 /nfs/dbraw/zinc/31/55/50/1226315550.db2.gz LOKHYEHFPMIUDH-GOSISDBHSA-N 1 2 348.450 2.075 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(F)c(NC(C)=O)c2)C1 ZINC001016388431 1226426050 /nfs/dbraw/zinc/42/60/50/1226426050.db2.gz OHYRSZFGBJZAGI-ZDUSSCGKSA-N 1 2 339.798 2.341 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)c(NC(C)=O)c2)C1 ZINC001016388431 1226426054 /nfs/dbraw/zinc/42/60/54/1226426054.db2.gz OHYRSZFGBJZAGI-ZDUSSCGKSA-N 1 2 339.798 2.341 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001016424031 1226463614 /nfs/dbraw/zinc/46/36/14/1226463614.db2.gz HYUHORSCHDSALG-MRXNPFEDSA-N 1 2 342.830 2.227 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001016424031 1226463621 /nfs/dbraw/zinc/46/36/21/1226463621.db2.gz HYUHORSCHDSALG-MRXNPFEDSA-N 1 2 342.830 2.227 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001016435297 1226477550 /nfs/dbraw/zinc/47/75/50/1226477550.db2.gz FFWHXTYKZVZSHT-MSOLQXFVSA-N 1 2 339.439 2.065 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001016435297 1226477552 /nfs/dbraw/zinc/47/75/52/1226477552.db2.gz FFWHXTYKZVZSHT-MSOLQXFVSA-N 1 2 339.439 2.065 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC001014331114 1226496277 /nfs/dbraw/zinc/49/62/77/1226496277.db2.gz SXVRYMORHRBPDC-IPELMVKDSA-N 1 2 344.459 2.125 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001014461574 1226644794 /nfs/dbraw/zinc/64/47/94/1226644794.db2.gz PJXQOHLLXCMSGO-OAGGEKHMSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001014461574 1226644798 /nfs/dbraw/zinc/64/47/98/1226644798.db2.gz PJXQOHLLXCMSGO-OAGGEKHMSA-N 1 2 349.862 2.407 20 30 EEEDLO CCCn1nccc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001014576247 1226797442 /nfs/dbraw/zinc/79/74/42/1226797442.db2.gz JCZGTJZOOAYHIR-SFHVURJKSA-N 1 2 336.439 2.149 20 30 EEEDLO CCCn1nccc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001014576247 1226797447 /nfs/dbraw/zinc/79/74/47/1226797447.db2.gz JCZGTJZOOAYHIR-SFHVURJKSA-N 1 2 336.439 2.149 20 30 EEEDLO N#Cc1cnccc1N1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001058267334 1248779607 /nfs/dbraw/zinc/77/96/07/1248779607.db2.gz UZHZSKWOEHOKNQ-HNNXBMFYSA-N 1 2 346.394 2.228 20 30 EEEDLO CCCc1nnc(C[N@H+](C)C[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)s1 ZINC001017070658 1227091123 /nfs/dbraw/zinc/09/11/23/1227091123.db2.gz IHOWYLFTVZCAFS-KBPBESRZSA-N 1 2 349.504 2.321 20 30 EEEDLO CCCc1nnc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)s1 ZINC001017070658 1227091127 /nfs/dbraw/zinc/09/11/27/1227091127.db2.gz IHOWYLFTVZCAFS-KBPBESRZSA-N 1 2 349.504 2.321 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c(C)noc1C ZINC001017833187 1227778494 /nfs/dbraw/zinc/77/84/94/1227778494.db2.gz GCXCPFAGZGOJOF-IYBDPMFKSA-N 1 2 329.444 2.268 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c(C)noc1C ZINC001017833187 1227778498 /nfs/dbraw/zinc/77/84/98/1227778498.db2.gz GCXCPFAGZGOJOF-IYBDPMFKSA-N 1 2 329.444 2.268 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2cccnc2)on1 ZINC001017871364 1227810952 /nfs/dbraw/zinc/81/09/52/1227810952.db2.gz QJEFUXKGBCMRKN-IYBDPMFKSA-N 1 2 336.395 2.049 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2cccnc2)on1 ZINC001017871364 1227810957 /nfs/dbraw/zinc/81/09/57/1227810957.db2.gz QJEFUXKGBCMRKN-IYBDPMFKSA-N 1 2 336.395 2.049 20 30 EEEDLO Cc1cc(N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)nc(C(C)C)[nH+]1 ZINC001058321179 1248861739 /nfs/dbraw/zinc/86/17/39/1248861739.db2.gz TVTNORZDKXRHAS-CQSZACIVSA-N 1 2 338.415 2.117 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3c[nH]nc32)C1 ZINC001018850439 1228455980 /nfs/dbraw/zinc/45/59/80/1228455980.db2.gz UHGLIQFLGMYBNH-ZWKOTPCHSA-N 1 2 349.438 2.092 20 30 EEEDLO N#Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001018878355 1228481718 /nfs/dbraw/zinc/48/17/18/1228481718.db2.gz LMUZCQHRBIVKRX-STQMWFEESA-N 1 2 347.287 2.288 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncc(CC)o2)C1 ZINC001019488175 1229149296 /nfs/dbraw/zinc/14/92/96/1229149296.db2.gz UYFWTTMNYWMYPW-ZVZYQTTQSA-N 1 2 347.459 2.299 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]1Cc1conc1CC ZINC001038352417 1229763361 /nfs/dbraw/zinc/76/33/61/1229763361.db2.gz GRCGAJVQTLOHPI-OAHLLOKOSA-N 1 2 328.416 2.229 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]1Cc1conc1CC ZINC001038352417 1229763363 /nfs/dbraw/zinc/76/33/63/1229763363.db2.gz GRCGAJVQTLOHPI-OAHLLOKOSA-N 1 2 328.416 2.229 20 30 EEEDLO C=C(Br)CN1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038414323 1229798159 /nfs/dbraw/zinc/79/81/59/1229798159.db2.gz CGRIPFKQLWOXNN-GFCCVEGCSA-N 1 2 349.232 2.276 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C(C)C)n1 ZINC001038709390 1229990035 /nfs/dbraw/zinc/99/00/35/1229990035.db2.gz ZHQJEDYCLISMGQ-SCTDSRPQSA-N 1 2 343.471 2.487 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C(C)C)n1 ZINC001038709390 1229990039 /nfs/dbraw/zinc/99/00/39/1229990039.db2.gz ZHQJEDYCLISMGQ-SCTDSRPQSA-N 1 2 343.471 2.487 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1Cc2cccnc2C1 ZINC001038967012 1230200882 /nfs/dbraw/zinc/20/08/82/1230200882.db2.gz CNAWWJSECHTHGZ-PMACEKPBSA-N 1 2 345.446 2.039 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1Cc2cccnc2C1 ZINC001038967012 1230200885 /nfs/dbraw/zinc/20/08/85/1230200885.db2.gz CNAWWJSECHTHGZ-PMACEKPBSA-N 1 2 345.446 2.039 20 30 EEEDLO Cn1ncc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c1C1CC1 ZINC001039078330 1230286471 /nfs/dbraw/zinc/28/64/71/1230286471.db2.gz UKVHZFMUOBBJNS-KRWDZBQOSA-N 1 2 349.438 2.173 20 30 EEEDLO Cn1ncc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)c1C1CC1 ZINC001039078330 1230286476 /nfs/dbraw/zinc/28/64/76/1230286476.db2.gz UKVHZFMUOBBJNS-KRWDZBQOSA-N 1 2 349.438 2.173 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccon1 ZINC001039339430 1230537491 /nfs/dbraw/zinc/53/74/91/1230537491.db2.gz MXYORDPVVOYONZ-SJORKVTESA-N 1 2 336.395 2.425 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccon1 ZINC001039339430 1230537494 /nfs/dbraw/zinc/53/74/94/1230537494.db2.gz MXYORDPVVOYONZ-SJORKVTESA-N 1 2 336.395 2.425 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cncnc1CC ZINC001039472435 1230636162 /nfs/dbraw/zinc/63/61/62/1230636162.db2.gz SATUFEUSDRCXPH-KGLIPLIRSA-N 1 2 334.851 2.470 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cncnc1CC ZINC001039472435 1230636166 /nfs/dbraw/zinc/63/61/66/1230636166.db2.gz SATUFEUSDRCXPH-KGLIPLIRSA-N 1 2 334.851 2.470 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cnn(C)c1 ZINC001039479723 1230642185 /nfs/dbraw/zinc/64/21/85/1230642185.db2.gz MCDBZBHCPCQESG-IMJJTQAJSA-N 1 2 336.867 2.341 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cnn(C)c1 ZINC001039479723 1230642188 /nfs/dbraw/zinc/64/21/88/1230642188.db2.gz MCDBZBHCPCQESG-IMJJTQAJSA-N 1 2 336.867 2.341 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ncnn1C)C2 ZINC001040369894 1231190012 /nfs/dbraw/zinc/19/00/12/1231190012.db2.gz WBNBSVGDWNTOID-RBUKOAKNSA-N 1 2 345.491 2.232 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ncnn1C)C2 ZINC001040369894 1231190013 /nfs/dbraw/zinc/19/00/13/1231190013.db2.gz WBNBSVGDWNTOID-RBUKOAKNSA-N 1 2 345.491 2.232 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(C1)CC[NH+](Cc1nncn1C)CC2 ZINC001040831341 1231382194 /nfs/dbraw/zinc/38/21/94/1231382194.db2.gz RQCXURWJMCHVIX-SFHVURJKSA-N 1 2 345.491 2.232 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCCO[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001041518469 1231576958 /nfs/dbraw/zinc/57/69/58/1231576958.db2.gz AZRVUIYBOCNGID-OAHLLOKOSA-N 1 2 332.448 2.417 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@@H+](Cc3nnc(C)s3)C2)C1 ZINC001041541274 1231587904 /nfs/dbraw/zinc/58/79/04/1231587904.db2.gz VQRVEONABATJAK-KRWDZBQOSA-N 1 2 334.489 2.483 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@H+](Cc3nnc(C)s3)C2)C1 ZINC001041541274 1231587907 /nfs/dbraw/zinc/58/79/07/1231587907.db2.gz VQRVEONABATJAK-KRWDZBQOSA-N 1 2 334.489 2.483 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3nnc(C)s3)C2)C1 ZINC001041541276 1231588216 /nfs/dbraw/zinc/58/82/16/1231588216.db2.gz VQRVEONABATJAK-QGZVFWFLSA-N 1 2 334.489 2.483 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](Cc3nnc(C)s3)C2)C1 ZINC001041541276 1231588218 /nfs/dbraw/zinc/58/82/18/1231588218.db2.gz VQRVEONABATJAK-QGZVFWFLSA-N 1 2 334.489 2.483 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(CC[N@H+](Cc3nnc(C)o3)C2)C1 ZINC001041625686 1231628858 /nfs/dbraw/zinc/62/88/58/1231628858.db2.gz KGTSXVQSFVWGRB-QZTJIDSGSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3nnc(C)o3)C2)C1 ZINC001041625686 1231628860 /nfs/dbraw/zinc/62/88/60/1231628860.db2.gz KGTSXVQSFVWGRB-QZTJIDSGSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nc(C)no4)[C@H]3C2)C1 ZINC001042224958 1231967578 /nfs/dbraw/zinc/96/75/78/1231967578.db2.gz TYHGCGQLLZSXHT-CABCVRRESA-N 1 2 330.432 2.157 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4nc(C)no4)[C@H]3C2)C1 ZINC001042224958 1231967580 /nfs/dbraw/zinc/96/75/80/1231967580.db2.gz TYHGCGQLLZSXHT-CABCVRRESA-N 1 2 330.432 2.157 20 30 EEEDLO C[C@@H]([NH2+][C@H](CO)c1cc(F)ccc1F)C(=O)Nc1cccc(C#N)c1 ZINC001413075376 1232012326 /nfs/dbraw/zinc/01/23/26/1232012326.db2.gz BYLNLLNUXOZWKR-PIGZYNQJSA-N 1 2 345.349 2.487 20 30 EEEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2ccc3ncccc3c2)C1 ZINC001042637252 1232126215 /nfs/dbraw/zinc/12/62/15/1232126215.db2.gz FAQUXYURSKXCKU-UHFFFAOYSA-N 1 2 345.406 2.391 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](CCc2ccccc2F)C1 ZINC001042742105 1232153829 /nfs/dbraw/zinc/15/38/29/1232153829.db2.gz CRUFMPJRPRTYOT-MJGOQNOKSA-N 1 2 346.446 2.492 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2nc(COC)no2)CC1 ZINC001045182062 1233563739 /nfs/dbraw/zinc/56/37/39/1233563739.db2.gz KQJFEMRCHRDCNT-HNNXBMFYSA-N 1 2 348.447 2.043 20 30 EEEDLO C=CCOCC(=O)NCCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001096024490 1233718850 /nfs/dbraw/zinc/71/88/50/1233718850.db2.gz ZAOSGQOCEICNOR-UHFFFAOYSA-N 1 2 344.459 2.340 20 30 EEEDLO C[C@@H](CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)C1CCCCC1 ZINC001046070034 1234404448 /nfs/dbraw/zinc/40/44/48/1234404448.db2.gz NQIGQQXMJKDKTH-HKUYNNGSSA-N 1 2 346.519 2.335 20 30 EEEDLO Cc1oc(C(C)C)cc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046074784 1234409047 /nfs/dbraw/zinc/40/90/47/1234409047.db2.gz HAJGYABEFASBKZ-INIZCTEOSA-N 1 2 344.459 2.067 20 30 EEEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)C3(C4CCCCC4)CC3)CC2)C1 ZINC001046082279 1234417545 /nfs/dbraw/zinc/41/75/45/1234417545.db2.gz VBOMRROFDFTIEG-SFHVURJKSA-N 1 2 344.503 2.089 20 30 EEEDLO Cc1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(C#N)cc3F)C2)on1 ZINC001046127765 1234471182 /nfs/dbraw/zinc/47/11/82/1234471182.db2.gz CRGMFSRUSPAKDQ-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3F)C2)on1 ZINC001046127765 1234471184 /nfs/dbraw/zinc/47/11/84/1234471184.db2.gz CRGMFSRUSPAKDQ-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@H+](Cc2ccncc2Cl)C1 ZINC001046252518 1234596177 /nfs/dbraw/zinc/59/61/77/1234596177.db2.gz BOXUKHSDGPHSEB-KRWDZBQOSA-N 1 2 343.818 2.329 20 30 EEEDLO C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001046252518 1234596179 /nfs/dbraw/zinc/59/61/79/1234596179.db2.gz BOXUKHSDGPHSEB-KRWDZBQOSA-N 1 2 343.818 2.329 20 30 EEEDLO N#C[C@H]1CN(C(=O)c2c[nH+]ccc2Nc2ccccc2)CCN1C1CC1 ZINC000900672350 1234636930 /nfs/dbraw/zinc/63/69/30/1234636930.db2.gz OCFHVMNXJPNNRN-KRWDZBQOSA-N 1 2 347.422 2.059 20 30 EEEDLO C[C@@]1(NC(=O)c2ccns2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046355527 1234699869 /nfs/dbraw/zinc/69/98/69/1234699869.db2.gz IEKAHXVYASXXTQ-QGZVFWFLSA-N 1 2 326.425 2.409 20 30 EEEDLO C[C@@]1(NC(=O)c2ccns2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046355527 1234699871 /nfs/dbraw/zinc/69/98/71/1234699871.db2.gz IEKAHXVYASXXTQ-QGZVFWFLSA-N 1 2 326.425 2.409 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C(F)F)n(C)n2)C1 ZINC001046485148 1234858670 /nfs/dbraw/zinc/85/86/70/1234858670.db2.gz RHRWDJWMURCLTF-CQSZACIVSA-N 1 2 332.782 2.304 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C(F)F)n(C)n2)C1 ZINC001046485148 1234858672 /nfs/dbraw/zinc/85/86/72/1234858672.db2.gz RHRWDJWMURCLTF-CQSZACIVSA-N 1 2 332.782 2.304 20 30 EEEDLO C[C@@]1(NC(=O)c2cnco2)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046522397 1234901742 /nfs/dbraw/zinc/90/17/42/1234901742.db2.gz IQKFAHCDFXFIAR-QGZVFWFLSA-N 1 2 328.347 2.080 20 30 EEEDLO C[C@@]1(NC(=O)c2cnco2)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046522397 1234901744 /nfs/dbraw/zinc/90/17/44/1234901744.db2.gz IQKFAHCDFXFIAR-QGZVFWFLSA-N 1 2 328.347 2.080 20 30 EEEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@@H+](Cc3cnnn3CC)C2)CC1 ZINC001046595016 1234975637 /nfs/dbraw/zinc/97/56/37/1234975637.db2.gz UODKBLMPFDALKS-GOSISDBHSA-N 1 2 331.464 2.125 20 30 EEEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+](Cc3cnnn3CC)C2)CC1 ZINC001046595016 1234975639 /nfs/dbraw/zinc/97/56/39/1234975639.db2.gz UODKBLMPFDALKS-GOSISDBHSA-N 1 2 331.464 2.125 20 30 EEEDLO Cc1conc1C(=O)N[C@]1(C)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046759615 1235156306 /nfs/dbraw/zinc/15/63/06/1235156306.db2.gz DWRPUKSMDBFVCX-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1conc1C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046759615 1235156308 /nfs/dbraw/zinc/15/63/08/1235156308.db2.gz DWRPUKSMDBFVCX-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@H](C)c3ncc(C)o3)C2)cn1 ZINC001046782225 1235180204 /nfs/dbraw/zinc/18/02/04/1235180204.db2.gz WKVQSWGGQOYWIJ-AUUYWEPGSA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@H](C)c3ncc(C)o3)C2)cn1 ZINC001046782225 1235180208 /nfs/dbraw/zinc/18/02/08/1235180208.db2.gz WKVQSWGGQOYWIJ-AUUYWEPGSA-N 1 2 338.411 2.315 20 30 EEEDLO C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC001047240318 1235726095 /nfs/dbraw/zinc/72/60/95/1235726095.db2.gz AQSZHAVVSVVQHB-KGLIPLIRSA-N 1 2 334.357 2.471 20 30 EEEDLO C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](F)C(F)(F)F)C2)CC1 ZINC001047240318 1235726101 /nfs/dbraw/zinc/72/61/01/1235726101.db2.gz AQSZHAVVSVVQHB-KGLIPLIRSA-N 1 2 334.357 2.471 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096177569 1235822686 /nfs/dbraw/zinc/82/26/86/1235822686.db2.gz UILUOYYRFYNUEQ-DNVCBOLYSA-N 1 2 346.475 2.321 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2nc(C3CCC3)no2)[C@@H](C)C1 ZINC001054975935 1249502042 /nfs/dbraw/zinc/50/20/42/1249502042.db2.gz HCLDBSWYLRLTFP-JSGCOSHPSA-N 1 2 332.448 2.486 20 30 EEEDLO Cc1nc(N2CC[C@H](NC(=O)C#CC(C)C)C2)c2c([nH+]1)CCCC2 ZINC001096368820 1237754278 /nfs/dbraw/zinc/75/42/78/1237754278.db2.gz MLKRVERHQMBAOQ-HNNXBMFYSA-N 1 2 326.444 2.018 20 30 EEEDLO C[C@H](C#N)OCCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000802727872 1238097261 /nfs/dbraw/zinc/09/72/61/1238097261.db2.gz CRNHBLNRQNZHJE-CQSZACIVSA-N 1 2 340.383 2.226 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCN(c3nc(C)[nH+]c(C)c3C)CC2)cc1 ZINC001055974315 1238546725 /nfs/dbraw/zinc/54/67/25/1238546725.db2.gz BGOXDRLQZLPLBP-UHFFFAOYSA-N 1 2 334.423 2.346 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001056301303 1239159816 /nfs/dbraw/zinc/15/98/16/1239159816.db2.gz SAZPVQSERUQCJW-USXIJHARSA-N 1 2 344.459 2.146 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001056301303 1239159825 /nfs/dbraw/zinc/15/98/25/1239159825.db2.gz SAZPVQSERUQCJW-USXIJHARSA-N 1 2 344.459 2.146 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C)s3)C[C@@H]2C1 ZINC001048974832 1239632851 /nfs/dbraw/zinc/63/28/51/1239632851.db2.gz GQOCJNYLEPRWRA-OKILXGFUSA-N 1 2 334.489 2.339 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C)s3)C[C@@H]2C1 ZINC001048974832 1239632863 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RAEAKSOIFUDJGY-HBRVENNYSA-N 1 2 339.439 2.205 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1OCC1CC1 ZINC001051256666 1245446248 /nfs/dbraw/zinc/44/62/48/1245446248.db2.gz YPEXHOSOGHPAKT-KRWDZBQOSA-N 1 2 344.455 2.482 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1OCC1CC1 ZINC001051256666 1245446255 /nfs/dbraw/zinc/44/62/55/1245446255.db2.gz YPEXHOSOGHPAKT-KRWDZBQOSA-N 1 2 344.455 2.482 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([C@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001051329326 1245555470 /nfs/dbraw/zinc/55/54/70/1245555470.db2.gz OVDKAFOIPVAEMP-HOTGVXAUSA-N 1 2 346.475 2.229 20 30 EEEDLO CCCN(CCNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccncc1C#N ZINC001101247167 1245568546 /nfs/dbraw/zinc/56/85/46/1245568546.db2.gz WXVGSTUDKJCIFS-HNNXBMFYSA-N 1 2 340.431 2.134 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C)o3)C[C@@]2(C)C1 ZINC001101251660 1245573129 /nfs/dbraw/zinc/57/31/29/1245573129.db2.gz DMJPGIORDAYXKJ-KDOFPFPSSA-N 1 2 332.448 2.261 20 30 EEEDLO 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CC(C)c1ccccc1C[NH+]1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 ZINC001053191705 1246031246 /nfs/dbraw/zinc/03/12/46/1246031246.db2.gz UHOFMQNLWAVEDH-MRXNPFEDSA-N 1 2 341.455 2.383 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)OCCC(C)C)c1nccn12 ZINC001101653955 1246085539 /nfs/dbraw/zinc/08/55/39/1246085539.db2.gz GVJXFEOYFLPBGI-HOTGVXAUSA-N 1 2 346.475 2.092 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccccc1OCC=C)CCO2 ZINC001053313063 1246173632 /nfs/dbraw/zinc/17/36/32/1246173632.db2.gz WVVKQKZTIJVTOK-UHFFFAOYSA-N 1 2 342.439 2.354 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)CC1 ZINC001052006147 1246367586 /nfs/dbraw/zinc/36/75/86/1246367586.db2.gz MHPQDIZFPDCQHA-MWDXBVQZSA-N 1 2 337.895 2.004 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)C3CC(C)(C)C3)C2)CC1 ZINC001052023014 1246386338 /nfs/dbraw/zinc/38/63/38/1246386338.db2.gz PRZIDYMGEWAUMU-INIZCTEOSA-N 1 2 339.911 2.394 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C34CCC(CC3)C4)C2)CC1 ZINC001052044013 1246413873 /nfs/dbraw/zinc/41/38/73/1246413873.db2.gz AMDZQCPOBZDUEW-QPIRBTGLSA-N 1 2 331.504 2.361 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccc(C(C)C)n3)C2)CC1 ZINC001052047744 1246418963 /nfs/dbraw/zinc/41/89/63/1246418963.db2.gz YBMJRJGMIMXTHI-KRWDZBQOSA-N 1 2 342.487 2.223 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3cscn3)CC2)C1 ZINC001052060258 1246431277 /nfs/dbraw/zinc/43/12/77/1246431277.db2.gz AXGICMLYKGBYML-MRXNPFEDSA-N 1 2 348.516 2.074 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3ccn(CC)c3C)C2)CC1 ZINC001052068397 1246439643 /nfs/dbraw/zinc/43/96/43/1246439643.db2.gz HXLMVCGGANGTTF-SFHVURJKSA-N 1 2 344.503 2.225 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(CC)cc3)C2)CC1 ZINC001052115715 1246498675 /nfs/dbraw/zinc/49/86/75/1246498675.db2.gz YJLSYUCEELNYFT-FQEVSTJZSA-N 1 2 339.483 2.104 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC4CCC3CC4)C2)CC1 ZINC001052121610 1246506422 /nfs/dbraw/zinc/50/64/22/1246506422.db2.gz DQMMMPQUVZEURZ-TUNPWDSISA-N 1 2 343.515 2.055 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc3scnc31)O2 ZINC001053599010 1246512944 /nfs/dbraw/zinc/51/29/44/1246512944.db2.gz KGZRYOGZRKTFAI-CYBMUJFWSA-N 1 2 343.452 2.446 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(CC)ccn1)O2 ZINC001053604921 1246520369 /nfs/dbraw/zinc/52/03/69/1246520369.db2.gz SQLRCWDLKUTNQA-INIZCTEOSA-N 1 2 329.444 2.183 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C)nc(C)c1)O2 ZINC001053605505 1246521164 /nfs/dbraw/zinc/52/11/64/1246521164.db2.gz IEUVDMBRUIXZJS-KRWDZBQOSA-N 1 2 329.444 2.238 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(F)c(C)cc1F)O2 ZINC001053614648 1246536330 /nfs/dbraw/zinc/53/63/30/1246536330.db2.gz ZRODTYSOFIVVEX-CYBMUJFWSA-N 1 2 336.382 2.422 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C)n([C@@H](C)CC)n1)O2 ZINC001053619541 1246543989 /nfs/dbraw/zinc/54/39/89/1246543989.db2.gz CHMBNKUDWDWOGG-GOEBONIOSA-N 1 2 346.475 2.312 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1scnc1Cl)O2 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331.322 2.491 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3nn(C)c4c3CCCC4)cc2C1 ZINC001054282811 1248000678 /nfs/dbraw/zinc/00/06/78/1248000678.db2.gz XFHLVBGQEGMBML-UHFFFAOYSA-N 1 2 348.450 2.178 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3nn(C)c4c3CCCC4)cc2C1 ZINC001054282811 1248000682 /nfs/dbraw/zinc/00/06/82/1248000682.db2.gz XFHLVBGQEGMBML-UHFFFAOYSA-N 1 2 348.450 2.178 20 30 EEEDLO C[C@@H](CC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)n1cc[nH+]c1 ZINC000827407802 1248004631 /nfs/dbraw/zinc/00/46/31/1248004631.db2.gz AZIQILVXMFGBLK-AWEZNQCLSA-N 1 2 341.390 2.194 20 30 EEEDLO Cc1nc(N[C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)c2c([nH+]1)CCCC2 ZINC001068840817 1251768687 /nfs/dbraw/zinc/76/86/87/1251768687.db2.gz JDWRSUZYKUWDNB-DYVFJYSZSA-N 1 2 338.455 2.479 20 30 EEEDLO C[C@H]1C[C@H](Nc2cccc(F)c2C#N)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001069221919 1252507653 /nfs/dbraw/zinc/50/76/53/1252507653.db2.gz XXQLWOVXTGJVSQ-JSGCOSHPSA-N 1 2 341.390 2.455 20 30 EEEDLO C[C@H]1C[C@H](Nc2cccc(F)c2C#N)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001069221919 1252507656 /nfs/dbraw/zinc/50/76/56/1252507656.db2.gz XXQLWOVXTGJVSQ-JSGCOSHPSA-N 1 2 341.390 2.455 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2scnc2C(F)(F)F)CC[C@@H]1C ZINC001071581007 1254372044 /nfs/dbraw/zinc/37/20/44/1254372044.db2.gz YOZQBNFKBSHMHJ-UWVGGRQHSA-N 1 2 331.363 2.378 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2scnc2C(F)(F)F)CC[C@@H]1C ZINC001071581007 1254372060 /nfs/dbraw/zinc/37/20/60/1254372060.db2.gz YOZQBNFKBSHMHJ-UWVGGRQHSA-N 1 2 331.363 2.378 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnc3nccn3c2)CC[C@H]1C ZINC001071682614 1254511908 /nfs/dbraw/zinc/51/19/08/1254511908.db2.gz OISCSNNYDVUIPN-TZMCWYRMSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnc3nccn3c2)CC[C@H]1C ZINC001071682614 1254511924 /nfs/dbraw/zinc/51/19/24/1254511924.db2.gz OISCSNNYDVUIPN-TZMCWYRMSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc3ncn(C)c3n2)CC[C@@H]1C ZINC001071824722 1254681132 /nfs/dbraw/zinc/68/11/32/1254681132.db2.gz 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C=CCOc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](CC)[C@@H]3C2)cc1 ZINC001074279866 1256846642 /nfs/dbraw/zinc/84/66/42/1256846642.db2.gz SVDKIQVJBRZNHO-QZTJIDSGSA-N 1 2 330.428 2.187 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(F)ccc3CC)C[C@H]21 ZINC001074287201 1256859777 /nfs/dbraw/zinc/85/97/77/1256859777.db2.gz WCGIRCKGCXANMW-RTBURBONSA-N 1 2 344.430 2.327 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(F)ccc3CC)C[C@H]21 ZINC001074287201 1256859787 /nfs/dbraw/zinc/85/97/87/1256859787.db2.gz WCGIRCKGCXANMW-RTBURBONSA-N 1 2 344.430 2.327 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001074994640 1257244415 /nfs/dbraw/zinc/24/44/15/1257244415.db2.gz GBZJOSGKTLVFEU-HUUCEWRRSA-N 1 2 346.475 2.061 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[C@@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001099713384 1258290482 /nfs/dbraw/zinc/29/04/82/1258290482.db2.gz OKCIGFRHIDDXGQ-CQSZACIVSA-N 1 2 345.491 2.374 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[C@@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001099713384 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2.371 20 30 EEEDLO C=CCN1CC[C@@H](OC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1=O ZINC000798624952 1305043766 /nfs/dbraw/zinc/04/37/66/1305043766.db2.gz OIGBIPMWESSHHH-ZWKOTPCHSA-N 1 2 342.439 2.371 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2cccnc2OC)CCC1 ZINC001235210744 1305150541 /nfs/dbraw/zinc/15/05/41/1305150541.db2.gz WFQNXOFMECVIQR-KRWDZBQOSA-N 1 2 341.455 2.317 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2cccnc2OC)CCC1 ZINC001235210744 1305150546 /nfs/dbraw/zinc/15/05/46/1305150546.db2.gz WFQNXOFMECVIQR-KRWDZBQOSA-N 1 2 341.455 2.317 20 30 EEEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1C#N ZINC001240160550 1309255175 /nfs/dbraw/zinc/25/51/75/1309255175.db2.gz YETVZNGXFSEGSE-YBFXNURJSA-N 1 2 328.397 2.094 20 30 EEEDLO N#Cc1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2)nc1F ZINC001240448562 1309328021 /nfs/dbraw/zinc/32/80/21/1309328021.db2.gz JJTSEZLVRXQKAG-UHFFFAOYSA-N 1 2 327.359 2.470 20 30 EEEDLO CC#CCCCC(=O)NC1CC2(C1)CC([NH2+]Cc1noc(CC)n1)C2 ZINC001121580839 1310059174 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C=CCOC[C@H]1c2nnn(C)c2CCN1Cc1c[nH+]c(CCCC)[nH]1 ZINC001141068903 1315033560 /nfs/dbraw/zinc/03/35/60/1315033560.db2.gz PBTTZIONTGLOKE-INIZCTEOSA-N 1 2 344.463 2.183 20 30 EEEDLO C=CCOC[C@H]1c2nnn(C)c2CCN1Cc1c[nH]c(CCCC)[nH+]1 ZINC001141068903 1315033563 /nfs/dbraw/zinc/03/35/63/1315033563.db2.gz PBTTZIONTGLOKE-INIZCTEOSA-N 1 2 344.463 2.183 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC000843425482 1315912985 /nfs/dbraw/zinc/91/29/85/1315912985.db2.gz PKNPBVGVUYACIO-LJQANCHMSA-N 1 2 339.395 2.222 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC000843425482 1315912988 /nfs/dbraw/zinc/91/29/88/1315912988.db2.gz PKNPBVGVUYACIO-LJQANCHMSA-N 1 2 339.395 2.222 20 30 EEEDLO C=CCC1(C(=O)NCC[NH2+][C@H](C)c2nc(C3CC3)no2)CCOCC1 ZINC001149312969 1315944471 /nfs/dbraw/zinc/94/44/71/1315944471.db2.gz RKOKIMQJMBTMTK-CYBMUJFWSA-N 1 2 348.447 2.087 20 30 EEEDLO C#CCCCC(=O)NC[C@@H]1C[N@H+](CC=C(Cl)Cl)CCCO1 ZINC001149646182 1316005226 /nfs/dbraw/zinc/00/52/26/1316005226.db2.gz JCOIMRFUWAYJPL-CYBMUJFWSA-N 1 2 333.259 2.316 20 30 EEEDLO C#CCCCC(=O)NC[C@@H]1C[N@@H+](CC=C(Cl)Cl)CCCO1 ZINC001149646182 1316005227 /nfs/dbraw/zinc/00/52/27/1316005227.db2.gz JCOIMRFUWAYJPL-CYBMUJFWSA-N 1 2 333.259 2.316 20 30 EEEDLO CC(C)C#CC(=O)NC[C@@H]1C[N@H+](Cc2ccnc(Cl)c2)CCCO1 ZINC001149673939 1316011814 /nfs/dbraw/zinc/01/18/14/1316011814.db2.gz RBQFSHDFDBLJRF-MRXNPFEDSA-N 1 2 349.862 2.102 20 30 EEEDLO CC(C)C#CC(=O)NC[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2)CCCO1 ZINC001149673939 1316011815 /nfs/dbraw/zinc/01/18/15/1316011815.db2.gz RBQFSHDFDBLJRF-MRXNPFEDSA-N 1 2 349.862 2.102 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCO[C@H](CNC(=O)C#CC(C)(C)C)C2)c(C)o1 ZINC001149686708 1316015096 /nfs/dbraw/zinc/01/50/96/1316015096.db2.gz GZRRAFFSJDJGBB-MRXNPFEDSA-N 1 2 347.459 2.048 20 30 EEEDLO Cc1nc(C[N@H+]2CCCO[C@H](CNC(=O)C#CC(C)(C)C)C2)c(C)o1 ZINC001149686708 1316015098 /nfs/dbraw/zinc/01/50/98/1316015098.db2.gz GZRRAFFSJDJGBB-MRXNPFEDSA-N 1 2 347.459 2.048 20 30 EEEDLO O=C(C#CC1CC1)NC[C@@H]1C[N@H+](Cc2ccc(F)cc2F)CCCO1 ZINC001149694933 1316017896 /nfs/dbraw/zinc/01/78/96/1316017896.db2.gz VKHPOJXAVXNHAD-QGZVFWFLSA-N 1 2 348.393 2.085 20 30 EEEDLO O=C(C#CC1CC1)NC[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)CCCO1 ZINC001149694933 1316017898 /nfs/dbraw/zinc/01/78/98/1316017898.db2.gz VKHPOJXAVXNHAD-QGZVFWFLSA-N 1 2 348.393 2.085 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2cc(C)n(C)n2)CCCO1 ZINC001150141259 1316177911 /nfs/dbraw/zinc/17/79/11/1316177911.db2.gz ZAUANHBORNZKIZ-CRAIPNDOSA-N 1 2 348.491 2.038 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)n(C)n2)CCCO1 ZINC001150141259 1316177917 /nfs/dbraw/zinc/17/79/17/1316177917.db2.gz ZAUANHBORNZKIZ-CRAIPNDOSA-N 1 2 348.491 2.038 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2cnc(C)cn2)CCCO1 ZINC001150164948 1316186641 /nfs/dbraw/zinc/18/66/41/1316186641.db2.gz FDDLCGFBURWTIL-FUHWJXTLSA-N 1 2 346.475 2.094 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2cnc(C)cn2)CCCO1 ZINC001150164948 1316186646 /nfs/dbraw/zinc/18/66/46/1316186646.db2.gz FDDLCGFBURWTIL-FUHWJXTLSA-N 1 2 346.475 2.094 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1cncs1 ZINC001152147520 1316638467 /nfs/dbraw/zinc/63/84/67/1316638467.db2.gz VQODQVREBCCGNO-SNVBAGLBSA-N 1 2 332.267 2.492 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1cncs1 ZINC001152147520 1316638469 /nfs/dbraw/zinc/63/84/69/1316638469.db2.gz VQODQVREBCCGNO-SNVBAGLBSA-N 1 2 332.267 2.492 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1cc(C)n(C)n1 ZINC001152164696 1316640158 /nfs/dbraw/zinc/64/01/58/1316640158.db2.gz GWFOMLXVJKDTIF-GFCCVEGCSA-N 1 2 343.269 2.077 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)n(C)n1 ZINC001152164696 1316640160 /nfs/dbraw/zinc/64/01/60/1316640160.db2.gz GWFOMLXVJKDTIF-GFCCVEGCSA-N 1 2 343.269 2.077 20 30 EEEDLO C=CCOCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001152378519 1316663678 /nfs/dbraw/zinc/66/36/78/1316663678.db2.gz CBDHXNLOZJBYFX-CQSZACIVSA-N 1 2 335.448 2.083 20 30 EEEDLO C=CCOCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001152378519 1316663680 /nfs/dbraw/zinc/66/36/80/1316663680.db2.gz CBDHXNLOZJBYFX-CQSZACIVSA-N 1 2 335.448 2.083 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1cnnc(C)c1 ZINC001152983782 1316753352 /nfs/dbraw/zinc/75/33/52/1316753352.db2.gz AKFIPXJMJGAMHK-GFCCVEGCSA-N 1 2 341.253 2.134 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1cnnc(C)c1 ZINC001152983782 1316753354 /nfs/dbraw/zinc/75/33/54/1316753354.db2.gz AKFIPXJMJGAMHK-GFCCVEGCSA-N 1 2 341.253 2.134 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1noc2c1CCCC2 ZINC001153012844 1316759407 /nfs/dbraw/zinc/75/94/07/1316759407.db2.gz VPQFWQBJGWFBSP-KUHUBIRLSA-N 1 2 349.475 2.207 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1noc2c1CCCC2 ZINC001153012844 1316759408 /nfs/dbraw/zinc/75/94/08/1316759408.db2.gz VPQFWQBJGWFBSP-KUHUBIRLSA-N 1 2 349.475 2.207 20 30 EEEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1ccncn1 ZINC001155918850 1317788129 /nfs/dbraw/zinc/78/81/29/1317788129.db2.gz RRZVTFJLNQKVTJ-CYBMUJFWSA-N 1 2 341.390 2.128 20 30 EEEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1ccncn1 ZINC001155918850 1317788134 /nfs/dbraw/zinc/78/81/34/1317788134.db2.gz RRZVTFJLNQKVTJ-CYBMUJFWSA-N 1 2 341.390 2.128 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccn(C)n1 ZINC001157648532 1318767670 /nfs/dbraw/zinc/76/76/70/1318767670.db2.gz LOTVKILFCFAZRB-SJLPKXTDSA-N 1 2 348.491 2.214 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccn(C)n1 ZINC001157648532 1318767675 /nfs/dbraw/zinc/76/76/75/1318767675.db2.gz LOTVKILFCFAZRB-SJLPKXTDSA-N 1 2 348.491 2.214 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[N@H+](C)CC(=O)Nc1ccccc1 ZINC001157695517 1318801802 /nfs/dbraw/zinc/80/18/02/1318801802.db2.gz CQCGUODRNMAVQE-DOTOQJQBSA-N 1 2 342.443 2.098 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(=O)Nc1ccccc1 ZINC001157695517 1318801816 /nfs/dbraw/zinc/80/18/16/1318801816.db2.gz CQCGUODRNMAVQE-DOTOQJQBSA-N 1 2 342.443 2.098 20 30 EEEDLO CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001157958011 1318947853 /nfs/dbraw/zinc/94/78/53/1318947853.db2.gz NXJLEKJWHVABST-HZPDHXFCSA-N 1 2 328.460 2.166 20 30 EEEDLO CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001157958011 1318947855 /nfs/dbraw/zinc/94/78/55/1318947855.db2.gz NXJLEKJWHVABST-HZPDHXFCSA-N 1 2 328.460 2.166 20 30 EEEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCC2(COC2)CC1 ZINC001257904956 1319102155 /nfs/dbraw/zinc/10/21/55/1319102155.db2.gz OLABNZTVRNHFGS-KRWDZBQOSA-N 1 2 328.412 2.191 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NCCC[NH2+]CC(F)(F)C(F)F)OCC ZINC001159148980 1319640933 /nfs/dbraw/zinc/64/09/33/1319640933.db2.gz QLGJRKFYNGMWBB-LLVKDONJSA-N 1 2 328.350 2.354 20 30 EEEDLO Cc1cc(C#N)c(N2CCc3onc(Cn4cc[nH+]c4)c3C2)nc1C ZINC001165548789 1321544334 /nfs/dbraw/zinc/54/43/34/1321544334.db2.gz DZWIGCAMGRHSGD-UHFFFAOYSA-N 1 2 334.383 2.366 20 30 EEEDLO N#CCc1cc[nH+]c(N2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)c1 ZINC001166121234 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EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ncoc1C(F)(F)F ZINC001375067740 1377335071 /nfs/dbraw/zinc/33/50/71/1377335071.db2.gz FQHCZSOMRAXGFS-QMMMGPOBSA-N 1 2 325.718 2.496 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cc2nn(C)c3ccccc23)C1 ZINC001380357397 1381201480 /nfs/dbraw/zinc/20/14/80/1381201480.db2.gz MQZJHKTTWUFLNV-GOSISDBHSA-N 1 2 346.862 2.449 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2nn(C)c3ccccc23)C1 ZINC001380357397 1381201487 /nfs/dbraw/zinc/20/14/87/1381201487.db2.gz MQZJHKTTWUFLNV-GOSISDBHSA-N 1 2 346.862 2.449 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2cnn3ccccc23)C1 ZINC001381788871 1381801420 /nfs/dbraw/zinc/80/14/20/1381801420.db2.gz QBDDCELGVAPYOS-CYBMUJFWSA-N 1 2 332.835 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCc2cc(OC)no2)[C@@H]1C ZINC001382346950 1382080151 /nfs/dbraw/zinc/08/01/51/1382080151.db2.gz YDIVOVNEUAOYER-JSGCOSHPSA-N 1 2 341.839 2.337 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCc2cc(OC)no2)[C@@H]1C ZINC001382346950 1382080158 /nfs/dbraw/zinc/08/01/58/1382080158.db2.gz YDIVOVNEUAOYER-JSGCOSHPSA-N 1 2 341.839 2.337 20 30 EEEDLO C#CCCCC(=O)N(C)C1CC[NH+]([C@H](C)c2nc(CC)no2)CC1 ZINC001752299863 1406270360 /nfs/dbraw/zinc/27/03/60/1406270360.db2.gz NOHOPRRCNVNSLH-CQSZACIVSA-N 1 2 332.448 2.419 20 30 EEEDLO C#CCN1CC[NH+](CCNC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC001752374280 1406289439 /nfs/dbraw/zinc/28/94/39/1406289439.db2.gz CGIZKFNIWFJYPE-QZTJIDSGSA-N 1 2 333.520 2.206 20 30 EEEDLO Cc1ocnc1C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001391159133 1389085128 /nfs/dbraw/zinc/08/51/28/1389085128.db2.gz YQRBWAXSVOWJIE-UHFFFAOYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ocnc1C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001391159133 1389085132 /nfs/dbraw/zinc/08/51/32/1389085132.db2.gz YQRBWAXSVOWJIE-UHFFFAOYSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)COCc2ncc(C)o2)C1 ZINC001391648636 1389499540 /nfs/dbraw/zinc/49/95/40/1389499540.db2.gz UVTKSXDANBSFKF-AWEZNQCLSA-N 1 2 341.839 2.175 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)COCc2ncc(C)o2)C1 ZINC001391648636 1389499545 /nfs/dbraw/zinc/49/95/45/1389499545.db2.gz UVTKSXDANBSFKF-AWEZNQCLSA-N 1 2 341.839 2.175 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCN(C(=O)CCC)C1 ZINC001392330205 1389986053 /nfs/dbraw/zinc/98/60/53/1389986053.db2.gz BAXCTVZRPWIGHT-HNNXBMFYSA-N 1 2 343.899 2.168 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCN(C(=O)CCC)C1 ZINC001392330205 1389986058 /nfs/dbraw/zinc/98/60/58/1389986058.db2.gz BAXCTVZRPWIGHT-HNNXBMFYSA-N 1 2 343.899 2.168 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)C1(C)CCC1 ZINC001392859716 1390223393 /nfs/dbraw/zinc/22/33/93/1390223393.db2.gz NVPYQGIPXQWVKF-MRXNPFEDSA-N 1 2 327.428 2.448 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)C1(C)CCC1 ZINC001392859716 1390223398 /nfs/dbraw/zinc/22/33/98/1390223398.db2.gz NVPYQGIPXQWVKF-MRXNPFEDSA-N 1 2 327.428 2.448 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)COC(C)C)C1 ZINC001399286781 1394935539 /nfs/dbraw/zinc/93/55/39/1394935539.db2.gz FOGRJISPKZJGLO-ZDUSSCGKSA-N 1 2 333.270 2.243 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)COC(C)C)C1 ZINC001399286781 1394935543 /nfs/dbraw/zinc/93/55/43/1394935543.db2.gz FOGRJISPKZJGLO-ZDUSSCGKSA-N 1 2 333.270 2.243 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCC(=O)NCCC)C1 ZINC001400308843 1396164990 /nfs/dbraw/zinc/16/49/90/1396164990.db2.gz LEFUFHZCQXHALL-AWEZNQCLSA-N 1 2 329.872 2.016 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCC(=O)NCCC)C1 ZINC001400308843 1396164997 /nfs/dbraw/zinc/16/49/97/1396164997.db2.gz LEFUFHZCQXHALL-AWEZNQCLSA-N 1 2 329.872 2.016 20 30 EEEDLO CCCCc1nc(C[NH2+]C2(CNC(=O)[C@@H](C)C#N)CCCC2)no1 ZINC001401175963 1397007210 /nfs/dbraw/zinc/00/72/10/1397007210.db2.gz PUTFHDXMTRRUDE-ZDUSSCGKSA-N 1 2 333.436 2.090 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1c(C)oc2nc[nH]c(=O)c21 ZINC001401754098 1397550456 /nfs/dbraw/zinc/55/04/56/1397550456.db2.gz BRHYTSSPEGPZMU-VIFPVBQESA-N 1 2 338.795 2.039 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1c(C)oc2nc[nH]c(=O)c21 ZINC001401754098 1397550458 /nfs/dbraw/zinc/55/04/58/1397550458.db2.gz BRHYTSSPEGPZMU-VIFPVBQESA-N 1 2 338.795 2.039 20 30 EEEDLO C=CCOCC[NH+]1CC(N(C)C(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001754587137 1406933754 /nfs/dbraw/zinc/93/37/54/1406933754.db2.gz CUICLHMOKACESF-CYBMUJFWSA-N 1 2 338.398 2.414 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C[C@H](OCC)C(=C)C)O2 ZINC001755054640 1407061479 /nfs/dbraw/zinc/06/14/79/1407061479.db2.gz RVXXSWFWDIFOCT-SJORKVTESA-N 1 2 336.476 2.283 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)Cc1ccc(OCC)cc1)O2 ZINC001755057060 1407064577 /nfs/dbraw/zinc/06/45/77/1407064577.db2.gz OVLJFICZWRZWAN-SFHVURJKSA-N 1 2 344.455 2.163 20 30 EEEDLO C=CCC1(C(=O)N2CCOC3(C[NH+](C[C@H](CC)OC)C3)C2)CCC1 ZINC001755061963 1407070480 /nfs/dbraw/zinc/07/04/80/1407070480.db2.gz WZAIIFOUZFDRRK-INIZCTEOSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](OCC)C1CCCC1)CO2 ZINC001755064153 1407073687 /nfs/dbraw/zinc/07/36/87/1407073687.db2.gz UWWKVULXTUEEAI-SJORKVTESA-N 1 2 336.476 2.117 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)CCCC(C)=O)C[C@H]2C1 ZINC001423982016 1400842894 /nfs/dbraw/zinc/84/28/94/1400842894.db2.gz KKVLKCWUFYCTQV-OKILXGFUSA-N 1 2 343.265 2.045 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)CCCC(C)=O)C[C@H]2C1 ZINC001423982016 1400842900 /nfs/dbraw/zinc/84/29/00/1400842900.db2.gz KKVLKCWUFYCTQV-OKILXGFUSA-N 1 2 343.265 2.045 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@@H+](Cc2coc(C)n2)CC1(C)C ZINC001755139758 1407152030 /nfs/dbraw/zinc/15/20/30/1407152030.db2.gz KRYLZHBHJDCCJF-YJBOKZPZSA-N 1 2 335.448 2.027 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](Cc2coc(C)n2)CC1(C)C ZINC001755139758 1407152038 /nfs/dbraw/zinc/15/20/38/1407152038.db2.gz KRYLZHBHJDCCJF-YJBOKZPZSA-N 1 2 335.448 2.027 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H](C)[N@H+](C)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001755311658 1407309515 /nfs/dbraw/zinc/30/95/15/1407309515.db2.gz SMAIMYQXRNVXDA-XJKSGUPXSA-N 1 2 349.450 2.391 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H](C)[N@@H+](C)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001755311658 1407309523 /nfs/dbraw/zinc/30/95/23/1407309523.db2.gz SMAIMYQXRNVXDA-XJKSGUPXSA-N 1 2 349.450 2.391 20 30 EEEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)C[C@@H]2CCc3ccccc3C2)C1 ZINC001755338237 1407336781 /nfs/dbraw/zinc/33/67/81/1407336781.db2.gz NADBROQGHMSFAX-QGZVFWFLSA-N 1 2 342.483 2.311 20 30 EEEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001755344855 1407345201 /nfs/dbraw/zinc/34/52/01/1407345201.db2.gz VXIXXYAHYQDRDI-MRXNPFEDSA-N 1 2 328.456 2.390 20 30 EEEDLO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC001591486565 1403920767 /nfs/dbraw/zinc/92/07/67/1403920767.db2.gz ZRFYXBZWMQPGBY-UHFFFAOYSA-N 1 2 340.412 2.440 20 30 EEEDLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC001591486565 1403920773 /nfs/dbraw/zinc/92/07/73/1403920773.db2.gz ZRFYXBZWMQPGBY-UHFFFAOYSA-N 1 2 340.412 2.440 20 30 EEEDLO C#CCCCCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1ncccn1)CC2 ZINC001755697908 1407744937 /nfs/dbraw/zinc/74/49/37/1407744937.db2.gz CVQAHEYEXHXAMZ-LPHOPBHVSA-N 1 2 326.444 2.283 20 30 EEEDLO C#CCCCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1ncccn1)CC2 ZINC001755697908 1407744943 /nfs/dbraw/zinc/74/49/43/1407744943.db2.gz CVQAHEYEXHXAMZ-LPHOPBHVSA-N 1 2 326.444 2.283 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1nnc(C)[nH]1)CC2 ZINC001755701626 1407750634 /nfs/dbraw/zinc/75/06/34/1407750634.db2.gz LVONEMUBFARPFP-VQIMIIECSA-N 1 2 343.475 2.495 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1nnc(C)[nH]1)CC2 ZINC001755701626 1407750638 /nfs/dbraw/zinc/75/06/38/1407750638.db2.gz LVONEMUBFARPFP-VQIMIIECSA-N 1 2 343.475 2.495 20 30 EEEDLO C#CCCCC(=O)N1C[C@H]([NH2+]Cc2nc(C(F)F)no2)C(C)(C)C1 ZINC001755755044 1407814519 /nfs/dbraw/zinc/81/45/19/1407814519.db2.gz HCKDKMWCQLBDNZ-NSHDSACASA-N 1 2 340.374 2.137 20 30 EEEDLO C=CCCC(=O)N[C@H](C)[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001755953433 1408025131 /nfs/dbraw/zinc/02/51/31/1408025131.db2.gz CLHJCTSGARSWGP-CABCVRRESA-N 1 2 342.443 2.161 20 30 EEEDLO C=CCC(C)(C)C(=O)NC1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001755983815 1408053358 /nfs/dbraw/zinc/05/33/58/1408053358.db2.gz ZGWNABFJENEDGR-UHFFFAOYSA-N 1 2 346.475 2.371 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001756231140 1408239929 /nfs/dbraw/zinc/23/99/29/1408239929.db2.gz AGZPLCHXDDDIDS-LSDHHAIUSA-N 1 2 332.448 2.242 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001756231140 1408239932 /nfs/dbraw/zinc/23/99/32/1408239932.db2.gz AGZPLCHXDDDIDS-LSDHHAIUSA-N 1 2 332.448 2.242 20 30 EEEDLO CC(C)C#CC(=O)N[C@H](C)CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001756463809 1408613709 /nfs/dbraw/zinc/61/37/09/1408613709.db2.gz CJLXJNCDQSFVMP-SJORKVTESA-N 1 2 346.475 2.093 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)CCCC1 ZINC001756565236 1408994030 /nfs/dbraw/zinc/99/40/30/1408994030.db2.gz CPGBPQGTNPCGHK-HZPDHXFCSA-N 1 2 344.459 2.125 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001756630381 1409161875 /nfs/dbraw/zinc/16/18/75/1409161875.db2.gz WTICWAFJTWPFEL-HZPDHXFCSA-N 1 2 332.448 2.125 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](CNC(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001756652067 1409185779 /nfs/dbraw/zinc/18/57/79/1409185779.db2.gz NVFQXIQAALPFES-GJZGRUSLSA-N 1 2 344.459 2.018 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001756723180 1409258520 /nfs/dbraw/zinc/25/85/20/1409258520.db2.gz KQQNDMCQHSJOMU-KDOFPFPSSA-N 1 2 334.464 2.202 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001756945793 1409539458 /nfs/dbraw/zinc/53/94/58/1409539458.db2.gz XYLNLIPODUIHPQ-GJZGRUSLSA-N 1 2 346.475 2.155 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001756963126 1409545984 /nfs/dbraw/zinc/54/59/84/1409545984.db2.gz ZIFHYRIKLSVRNG-YQQAZPJKSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001756963126 1409545987 /nfs/dbraw/zinc/54/59/87/1409545987.db2.gz ZIFHYRIKLSVRNG-YQQAZPJKSA-N 1 2 344.459 2.004 20 30 EEEDLO C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC[N@@H+]2C)n1C[C@H]1CCCCO1 ZINC001772369895 1410154921 /nfs/dbraw/zinc/15/49/21/1410154921.db2.gz MPLKRPGCYCDVJR-OAGGEKHMSA-N 1 2 346.479 2.352 20 30 EEEDLO C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC[N@H+]2C)n1C[C@H]1CCCCO1 ZINC001772369895 1410154923 /nfs/dbraw/zinc/15/49/23/1410154923.db2.gz MPLKRPGCYCDVJR-OAGGEKHMSA-N 1 2 346.479 2.352 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001100249882 1410537059 /nfs/dbraw/zinc/53/70/59/1410537059.db2.gz XHWKBWJPNMBUGT-LJQANCHMSA-N 1 2 346.475 2.444 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CC2(C[NH+](CC#CC)C2)n2ccnc21 ZINC001101639326 1410713649 /nfs/dbraw/zinc/71/36/49/1410713649.db2.gz HYGPHUFVZSHYEG-CVEARBPZSA-N 1 2 326.444 2.081 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112378061 1410890203 /nfs/dbraw/zinc/89/02/03/1410890203.db2.gz LDTBFXPJDXQBBK-UKRRQHHQSA-N 1 2 332.448 2.097 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112378059 1410890282 /nfs/dbraw/zinc/89/02/82/1410890282.db2.gz LDTBFXPJDXQBBK-DZGCQCFKSA-N 1 2 332.448 2.097 20 30 EEEDLO NC(=NOCc1ccccc1F)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000060197653 790290119 /nfs/dbraw/zinc/29/01/19/790290119.db2.gz FWBCIDHAMDMRHW-UHFFFAOYSA-N 1 2 343.402 2.495 20 30 EEEDLO Cc1cc(N2CCC[C@H](NC(=O)[C@H](C)C#N)CC2)nc(C2CC2)[nH+]1 ZINC001111980531 761910506 /nfs/dbraw/zinc/91/05/06/761910506.db2.gz YUQSHMXMCMPLTO-DOMZBBRYSA-N 1 2 327.432 2.297 20 30 EEEDLO Cc1nsc(NC[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c1C#N ZINC001104239471 757419225 /nfs/dbraw/zinc/41/92/25/757419225.db2.gz ZWRJDJFOKCBQFD-RYUDHWBXSA-N 1 2 346.460 2.335 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)cc3Cl)[C@H]2C1 ZINC001083201786 757872329 /nfs/dbraw/zinc/87/23/29/757872329.db2.gz HMIWIFQZQMEPBV-DLBZAZTESA-N 1 2 332.831 2.197 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)cc3Cl)[C@H]2C1 ZINC001083201786 757872338 /nfs/dbraw/zinc/87/23/38/757872338.db2.gz HMIWIFQZQMEPBV-DLBZAZTESA-N 1 2 332.831 2.197 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CCO1 ZINC001104331908 759506939 /nfs/dbraw/zinc/50/69/39/759506939.db2.gz PIYGXYNUQXXCPF-MRXNPFEDSA-N 1 2 344.459 2.340 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CC[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001098552135 759661538 /nfs/dbraw/zinc/66/15/38/759661538.db2.gz SLAKCEZTTCVMIP-HZPDHXFCSA-N 1 2 344.459 2.207 20 30 EEEDLO CC(F)(F)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001075484459 761247140 /nfs/dbraw/zinc/24/71/40/761247140.db2.gz MPWFAPNCGWDQHU-SWLSCSKDSA-N 1 2 337.345 2.385 20 30 EEEDLO CC(F)(F)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001075484459 761247141 /nfs/dbraw/zinc/24/71/41/761247141.db2.gz MPWFAPNCGWDQHU-SWLSCSKDSA-N 1 2 337.345 2.385 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001104770768 765255676 /nfs/dbraw/zinc/25/56/76/765255676.db2.gz WSCBSFMEKYGZKP-JSGCOSHPSA-N 1 2 334.468 2.107 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](CNc1ccc(C#N)nc1)CC(C)C ZINC001104960804 765681079 /nfs/dbraw/zinc/68/10/79/765681079.db2.gz OZKWCEUKSATDHB-INIZCTEOSA-N 1 2 340.431 2.170 20 30 EEEDLO C[C@@H](C[C@H](C)Nc1nccnc1C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC001089422948 768985973 /nfs/dbraw/zinc/98/59/73/768985973.db2.gz SZBJJJXHYIYSRL-STQMWFEESA-N 1 2 349.398 2.005 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CCC(CCN(C)c2cc[nH+]c(C)n2)CC1 ZINC001105099966 769067680 /nfs/dbraw/zinc/06/76/80/769067680.db2.gz UTSGBKRJOUZENT-HNNXBMFYSA-N 1 2 346.475 2.441 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC(n2cc(C[NH2+]C/C=C\Cl)nn2)C1 ZINC001105310067 769677656 /nfs/dbraw/zinc/67/76/56/769677656.db2.gz NSBYTUQVVBCAFF-CFHLNLSMSA-N 1 2 337.855 2.106 20 30 EEEDLO Cc1ncc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)s1 ZINC001031574258 769781483 /nfs/dbraw/zinc/78/14/83/769781483.db2.gz KWQBTQAHILLHFG-UHFFFAOYSA-N 1 2 344.415 2.324 20 30 EEEDLO Cc1nc(NC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C)ccc1C#N ZINC001125974867 769816227 /nfs/dbraw/zinc/81/62/27/769816227.db2.gz QUMSBESFZKLXBV-AWEZNQCLSA-N 1 2 340.431 2.170 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H](n3cc(C[NH2+]C/C=C/Cl)nn3)C2)C1 ZINC001098715766 782820902 /nfs/dbraw/zinc/82/09/02/782820902.db2.gz JNOGXXVIQYJKCF-UJAVWCLSSA-N 1 2 349.866 2.250 20 30 EEEDLO CCN(c1cccc(F)c1C#N)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001089632112 773606077 /nfs/dbraw/zinc/60/60/77/773606077.db2.gz FYTCGYNRJPIHSG-CYBMUJFWSA-N 1 2 343.406 2.384 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccnn1CC(F)F ZINC001027884159 773974540 /nfs/dbraw/zinc/97/45/40/773974540.db2.gz XHXQMGYJEUYIAK-NSHDSACASA-N 1 2 332.782 2.095 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccnn1CC(F)F ZINC001027884159 773974543 /nfs/dbraw/zinc/97/45/43/773974543.db2.gz XHXQMGYJEUYIAK-NSHDSACASA-N 1 2 332.782 2.095 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn2c1cccc2OC ZINC001027916443 774377283 /nfs/dbraw/zinc/37/72/83/774377283.db2.gz MBLFLNPLOPYTLH-CYBMUJFWSA-N 1 2 348.834 2.290 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn2c1cccc2OC ZINC001027916443 774377287 /nfs/dbraw/zinc/37/72/87/774377287.db2.gz MBLFLNPLOPYTLH-CYBMUJFWSA-N 1 2 348.834 2.290 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1snnc1C ZINC001027934883 774646273 /nfs/dbraw/zinc/64/62/73/774646273.db2.gz BBNIVSLUKDBQEH-AWEZNQCLSA-N 1 2 345.472 2.228 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1snnc1C ZINC001027934883 774646276 /nfs/dbraw/zinc/64/62/76/774646276.db2.gz BBNIVSLUKDBQEH-AWEZNQCLSA-N 1 2 345.472 2.228 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001027949964 774894175 /nfs/dbraw/zinc/89/41/75/774894175.db2.gz HNRSDSNRCTZQRG-GFCCVEGCSA-N 1 2 336.823 2.006 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC001027949964 774894185 /nfs/dbraw/zinc/89/41/85/774894185.db2.gz HNRSDSNRCTZQRG-GFCCVEGCSA-N 1 2 336.823 2.006 20 30 EEEDLO CCN(c1ncccc1C#N)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089769895 774990600 /nfs/dbraw/zinc/99/06/00/774990600.db2.gz IQSFJTSACMWLEE-CYBMUJFWSA-N 1 2 348.410 2.474 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cncs4)[C@@H]3C2)s1 ZINC001075589674 775191459 /nfs/dbraw/zinc/19/14/59/775191459.db2.gz IGBPPZRQQBAVLH-SMDDNHRTSA-N 1 2 344.465 2.423 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cncs4)[C@@H]3C2)s1 ZINC001075589674 775191466 /nfs/dbraw/zinc/19/14/66/775191466.db2.gz IGBPPZRQQBAVLH-SMDDNHRTSA-N 1 2 344.465 2.423 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C4CC4)no3)C2)C1 ZINC000939102338 775466340 /nfs/dbraw/zinc/46/63/40/775466340.db2.gz GKACGEVYRRDSFS-TZMCWYRMSA-N 1 2 330.432 2.240 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC2C[NH+](Cc3cnc(C)o3)C2)cc1 ZINC001031778584 775503697 /nfs/dbraw/zinc/50/36/97/775503697.db2.gz QAZOWQXUSAKITD-UHFFFAOYSA-N 1 2 341.411 2.410 20 30 EEEDLO O=C([C@@H]1CCOC1)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000980802960 775641559 /nfs/dbraw/zinc/64/15/59/775641559.db2.gz SJVNJYGOPXTYBQ-QGZVFWFLSA-N 1 2 346.858 2.262 20 30 EEEDLO O=C([C@@H]1CCOC1)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000980802960 775641566 /nfs/dbraw/zinc/64/15/66/775641566.db2.gz SJVNJYGOPXTYBQ-QGZVFWFLSA-N 1 2 346.858 2.262 20 30 EEEDLO CO[C@@H]1CCC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031792372 775732511 /nfs/dbraw/zinc/73/25/11/775732511.db2.gz HBTYKLNEUYVAFR-RBUKOAKNSA-N 1 2 344.430 2.040 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn(-c2ccccc2)nn1 ZINC001027995988 775812799 /nfs/dbraw/zinc/81/27/99/775812799.db2.gz ZAJPGOYBOHBPBA-HNNXBMFYSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cn(-c2ccccc2)nn1 ZINC001027995988 775812806 /nfs/dbraw/zinc/81/28/06/775812806.db2.gz ZAJPGOYBOHBPBA-HNNXBMFYSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C(F)F)nn1C ZINC001028027336 776444586 /nfs/dbraw/zinc/44/45/86/776444586.db2.gz WWYMCCFEHCWDQB-JTQLQIEISA-N 1 2 332.782 2.304 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C(F)F)nn1C ZINC001028027336 776444591 /nfs/dbraw/zinc/44/45/91/776444591.db2.gz WWYMCCFEHCWDQB-JTQLQIEISA-N 1 2 332.782 2.304 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2coc(C)n2)C[C@@H]1C ZINC000947212658 776573143 /nfs/dbraw/zinc/57/31/43/776573143.db2.gz WYVFFEZLDGCVTI-JQWIXIFHSA-N 1 2 342.237 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2coc(C)n2)C[C@@H]1C ZINC000947212658 776573156 /nfs/dbraw/zinc/57/31/56/776573156.db2.gz WYVFFEZLDGCVTI-JQWIXIFHSA-N 1 2 342.237 2.474 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@H](C)N2CCCCC2=O)CC1 ZINC000981143595 776615303 /nfs/dbraw/zinc/61/53/03/776615303.db2.gz QQFVCHBWKIYHJF-HNNXBMFYSA-N 1 2 341.883 2.064 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@H](C)N2CCCCC2=O)CC1 ZINC000981143595 776615310 /nfs/dbraw/zinc/61/53/10/776615310.db2.gz QQFVCHBWKIYHJF-HNNXBMFYSA-N 1 2 341.883 2.064 20 30 EEEDLO Cc1nc(C)c(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)nc1C ZINC001031832158 776884613 /nfs/dbraw/zinc/88/46/13/776884613.db2.gz HEBIFKYTXXRRBQ-UHFFFAOYSA-N 1 2 349.438 2.135 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(CC)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106915157 777027700 /nfs/dbraw/zinc/02/77/00/777027700.db2.gz BLPRAYVLOORYRG-HNNXBMFYSA-N 1 2 345.491 2.327 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(CC)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106915157 777027707 /nfs/dbraw/zinc/02/77/07/777027707.db2.gz BLPRAYVLOORYRG-HNNXBMFYSA-N 1 2 345.491 2.327 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(F)c(F)c(F)c2F)C1 ZINC000957311457 777084672 /nfs/dbraw/zinc/08/46/72/777084672.db2.gz JXHUDAOQPJJEPA-UHFFFAOYSA-N 1 2 328.309 2.413 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1[C@H]1CCCO1 ZINC001028094148 777422486 /nfs/dbraw/zinc/42/24/86/777422486.db2.gz VOUGLVQMPNKYKX-TZMCWYRMSA-N 1 2 338.839 2.208 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1[C@H]1CCCO1 ZINC001028094148 777422489 /nfs/dbraw/zinc/42/24/89/777422489.db2.gz VOUGLVQMPNKYKX-TZMCWYRMSA-N 1 2 338.839 2.208 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(CC(F)F)CC1 ZINC001028096525 777512799 /nfs/dbraw/zinc/51/27/99/777512799.db2.gz CMUZJAPQMPKDEM-CQSZACIVSA-N 1 2 349.853 2.297 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(CC(F)F)CC1 ZINC001028096525 777512804 /nfs/dbraw/zinc/51/28/04/777512804.db2.gz CMUZJAPQMPKDEM-CQSZACIVSA-N 1 2 349.853 2.297 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091387401 790570581 /nfs/dbraw/zinc/57/05/81/790570581.db2.gz FEIDEVVCOPMIJJ-DAYGRLMNSA-N 1 2 332.448 2.321 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)c3cocn3)C2)C1 ZINC000981663230 777938634 /nfs/dbraw/zinc/93/86/34/777938634.db2.gz CYICLUDGLNSTAP-UHFFFAOYSA-N 1 2 340.221 2.121 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)c3cocn3)C2)C1 ZINC000981663230 777938641 /nfs/dbraw/zinc/93/86/41/777938641.db2.gz CYICLUDGLNSTAP-UHFFFAOYSA-N 1 2 340.221 2.121 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CCCC3(CN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC000981669671 777949154 /nfs/dbraw/zinc/94/91/54/777949154.db2.gz SYKKEAHPHJCXKY-OAHLLOKOSA-N 1 2 329.448 2.048 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2CCCC3(CN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC000981669671 777949160 /nfs/dbraw/zinc/94/91/60/777949160.db2.gz SYKKEAHPHJCXKY-OAHLLOKOSA-N 1 2 329.448 2.048 20 30 EEEDLO CO[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1)C1CCC1 ZINC000981701947 778044157 /nfs/dbraw/zinc/04/41/57/778044157.db2.gz RKTCJQUODQNURB-IBGZPJMESA-N 1 2 341.455 2.408 20 30 EEEDLO CO[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1)C1CCC1 ZINC000981701947 778044166 /nfs/dbraw/zinc/04/41/66/778044166.db2.gz RKTCJQUODQNURB-IBGZPJMESA-N 1 2 341.455 2.408 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001028142347 778384494 /nfs/dbraw/zinc/38/44/94/778384494.db2.gz JXPXFLDUWQUOLE-OAGGEKHMSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001028142347 778384504 /nfs/dbraw/zinc/38/45/04/778384504.db2.gz JXPXFLDUWQUOLE-OAGGEKHMSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCC[N@@H+](Cc1cn(CC)nn1)C2 ZINC000981930571 778577832 /nfs/dbraw/zinc/57/78/32/778577832.db2.gz OCTUMWMWMLGBTC-UHFFFAOYSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCC[N@H+](Cc1cn(CC)nn1)C2 ZINC000981930571 778577836 /nfs/dbraw/zinc/57/78/36/778577836.db2.gz OCTUMWMWMLGBTC-UHFFFAOYSA-N 1 2 345.491 2.325 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3nc4ccc(F)cc4o3)C[C@H]21 ZINC001075616519 779213013 /nfs/dbraw/zinc/21/30/13/779213013.db2.gz VXVDBIMHWCWXSB-SLEUVZQESA-N 1 2 342.374 2.159 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3nc4ccc(F)cc4o3)C[C@H]21 ZINC001075616519 779213018 /nfs/dbraw/zinc/21/30/18/779213018.db2.gz VXVDBIMHWCWXSB-SLEUVZQESA-N 1 2 342.374 2.159 20 30 EEEDLO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@H+](Cc3coc(C4CC4)n3)C[C@]2(C)C1 ZINC000982237008 779363067 /nfs/dbraw/zinc/36/30/67/779363067.db2.gz SKZKSCJYYZSFTB-FASAQXTFSA-N 1 2 342.443 2.382 20 30 EEEDLO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](Cc3coc(C4CC4)n3)C[C@]2(C)C1 ZINC000982237008 779363075 /nfs/dbraw/zinc/36/30/75/779363075.db2.gz SKZKSCJYYZSFTB-FASAQXTFSA-N 1 2 342.443 2.382 20 30 EEEDLO Cc1nnc([C@H](C)[N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H](C)C#N)C[C@@]3(C)C2)s1 ZINC000982237109 779363346 /nfs/dbraw/zinc/36/33/46/779363346.db2.gz VTUGOPVFFNTDRQ-MWDDYTRKSA-N 1 2 347.488 2.238 20 30 EEEDLO Cc1nnc([C@H](C)[N@H+]2C[C@@]3(C)CN(C(=O)[C@@H](C)C#N)C[C@@]3(C)C2)s1 ZINC000982237109 779363349 /nfs/dbraw/zinc/36/33/49/779363349.db2.gz VTUGOPVFFNTDRQ-MWDDYTRKSA-N 1 2 347.488 2.238 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000982238055 779366522 /nfs/dbraw/zinc/36/65/22/779366522.db2.gz RMHZLEFBJVNBSL-UHFFFAOYSA-N 1 2 336.439 2.226 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000982238055 779366524 /nfs/dbraw/zinc/36/65/24/779366524.db2.gz RMHZLEFBJVNBSL-UHFFFAOYSA-N 1 2 336.439 2.226 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1scc2c1OCCO2 ZINC001028241278 779575259 /nfs/dbraw/zinc/57/52/59/779575259.db2.gz IQOKVXAHXMPHKL-LLVKDONJSA-N 1 2 342.848 2.466 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1scc2c1OCCO2 ZINC001028241278 779575265 /nfs/dbraw/zinc/57/52/65/779575265.db2.gz IQOKVXAHXMPHKL-LLVKDONJSA-N 1 2 342.848 2.466 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000941386717 780440546 /nfs/dbraw/zinc/44/05/46/780440546.db2.gz QJRUTPZEQXCMPH-CYBMUJFWSA-N 1 2 326.400 2.106 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cnco2)C1 ZINC001087457148 780885554 /nfs/dbraw/zinc/88/55/54/780885554.db2.gz JPEFUGYDURDXLG-IAGOWNOFSA-N 1 2 341.386 2.425 20 30 EEEDLO CC#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cnco2)C1 ZINC001087457148 780885566 /nfs/dbraw/zinc/88/55/66/780885566.db2.gz JPEFUGYDURDXLG-IAGOWNOFSA-N 1 2 341.386 2.425 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2conc2C2CC2)C1 ZINC001031968546 780982399 /nfs/dbraw/zinc/98/23/99/780982399.db2.gz AISYDTJDPDOGTL-UHFFFAOYSA-N 1 2 336.395 2.285 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098690519 781204924 /nfs/dbraw/zinc/20/49/24/781204924.db2.gz PAKGJCJQSOCWBN-LPHOPBHVSA-N 1 2 346.475 2.156 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H](C)CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)n1 ZINC001098267600 781455644 /nfs/dbraw/zinc/45/56/44/781455644.db2.gz DTEBJIGIEXENSC-JSGCOSHPSA-N 1 2 338.415 2.022 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001079070090 790908794 /nfs/dbraw/zinc/90/87/94/790908794.db2.gz CKWUUDGQBWUZGH-VQIMIIECSA-N 1 2 346.475 2.325 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cscn1 ZINC001087546312 781793815 /nfs/dbraw/zinc/79/38/15/781793815.db2.gz YGTRHVDCEPEKDC-LSDHHAIUSA-N 1 2 329.429 2.126 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1cscn1 ZINC001087546312 781793822 /nfs/dbraw/zinc/79/38/22/781793822.db2.gz YGTRHVDCEPEKDC-LSDHHAIUSA-N 1 2 329.429 2.126 20 30 EEEDLO O=C(C#CC1CC1)N1CCCCC[C@H]([NH2+]Cc2noc(C3CC3)n2)C1 ZINC001088311901 783467778 /nfs/dbraw/zinc/46/77/78/783467778.db2.gz JZMUPOFBYKBSTA-INIZCTEOSA-N 1 2 342.443 2.221 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](N(C)C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001078936540 783478481 /nfs/dbraw/zinc/47/84/81/783478481.db2.gz MZMGJMSCORRRQZ-HNNXBMFYSA-N 1 2 332.448 2.148 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001033316566 783506591 /nfs/dbraw/zinc/50/65/91/783506591.db2.gz ZYBFCVSFJHJDEY-HNNXBMFYSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001033316566 783506593 /nfs/dbraw/zinc/50/65/93/783506593.db2.gz ZYBFCVSFJHJDEY-HNNXBMFYSA-N 1 2 345.834 2.166 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(F)=C2CCCC2)CC[C@@H]1C ZINC001131951940 783519670 /nfs/dbraw/zinc/51/96/70/783519670.db2.gz TYDXOVAXCRKIFY-ZFWWWQNUSA-N 1 2 337.439 2.055 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(F)=C2CCCC2)CC[C@@H]1C ZINC001131951940 783519677 /nfs/dbraw/zinc/51/96/77/783519677.db2.gz TYDXOVAXCRKIFY-ZFWWWQNUSA-N 1 2 337.439 2.055 20 30 EEEDLO N#CCOc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccco2)cc1 ZINC001032251566 783792617 /nfs/dbraw/zinc/79/26/17/783792617.db2.gz RYTZQCLAIBUJPD-HOTGVXAUSA-N 1 2 337.379 2.281 20 30 EEEDLO N#CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccco2)cc1 ZINC001032251566 783792624 /nfs/dbraw/zinc/79/26/24/783792624.db2.gz RYTZQCLAIBUJPD-HOTGVXAUSA-N 1 2 337.379 2.281 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2coc(C(F)F)c2)[C@@H](O)C1 ZINC001090523422 783987603 /nfs/dbraw/zinc/98/76/03/783987603.db2.gz QMUNWNMJOPFKBD-MNOVXSKESA-N 1 2 334.750 2.135 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2coc(C(F)F)c2)[C@@H](O)C1 ZINC001090523422 783987611 /nfs/dbraw/zinc/98/76/11/783987611.db2.gz QMUNWNMJOPFKBD-MNOVXSKESA-N 1 2 334.750 2.135 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc3ccccc3cc2F)C1 ZINC001035442465 784535817 /nfs/dbraw/zinc/53/58/17/784535817.db2.gz LTEGIIIZMWZVAA-QGZVFWFLSA-N 1 2 340.398 2.433 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc3ccccc3cc2F)C1 ZINC001035442465 784535825 /nfs/dbraw/zinc/53/58/25/784535825.db2.gz LTEGIIIZMWZVAA-QGZVFWFLSA-N 1 2 340.398 2.433 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3ncccc3c2)C1 ZINC001035493832 784626117 /nfs/dbraw/zinc/62/61/17/784626117.db2.gz ONCWQLKMHRRZQS-KRWDZBQOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc3ncccc3c2)C1 ZINC001035493832 784626121 /nfs/dbraw/zinc/62/61/21/784626121.db2.gz ONCWQLKMHRRZQS-KRWDZBQOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2nccc3ccccc32)C1 ZINC001035494746 784629236 /nfs/dbraw/zinc/62/92/36/784629236.db2.gz CCBIWTZMHZSHTL-MRXNPFEDSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2nccc3ccccc32)C1 ZINC001035494746 784629243 /nfs/dbraw/zinc/62/92/43/784629243.db2.gz CCBIWTZMHZSHTL-MRXNPFEDSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(OC)cc2Cl)C1 ZINC001035547231 784716661 /nfs/dbraw/zinc/71/66/61/784716661.db2.gz GDCBLMVALNEPSZ-AWEZNQCLSA-N 1 2 338.835 2.355 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(OC)cc2Cl)C1 ZINC001035547231 784716664 /nfs/dbraw/zinc/71/66/64/784716664.db2.gz GDCBLMVALNEPSZ-AWEZNQCLSA-N 1 2 338.835 2.355 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(N3CCCC3)c2)C1 ZINC001035555413 784726556 /nfs/dbraw/zinc/72/65/56/784726556.db2.gz JEGXPWBKGYNYDC-LJQANCHMSA-N 1 2 343.471 2.294 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccc(N3CCCC3)c2)C1 ZINC001035555413 784726564 /nfs/dbraw/zinc/72/65/64/784726564.db2.gz JEGXPWBKGYNYDC-LJQANCHMSA-N 1 2 343.471 2.294 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc3c(s2)CC[C@H](C)C3)C1 ZINC001035602320 784762771 /nfs/dbraw/zinc/76/27/71/784762771.db2.gz GGWFPDXUPYJYDK-ZFWWWQNUSA-N 1 2 334.485 2.490 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc3c(s2)CC[C@H](C)C3)C1 ZINC001035602320 784762777 /nfs/dbraw/zinc/76/27/77/784762777.db2.gz GGWFPDXUPYJYDK-ZFWWWQNUSA-N 1 2 334.485 2.490 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2OCC2CC2)C1 ZINC001035608926 784845292 /nfs/dbraw/zinc/84/52/92/784845292.db2.gz MKFKBOUMRBKBET-QGZVFWFLSA-N 1 2 344.455 2.482 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccccc2OCC2CC2)C1 ZINC001035608926 784845299 /nfs/dbraw/zinc/84/52/99/784845299.db2.gz MKFKBOUMRBKBET-QGZVFWFLSA-N 1 2 344.455 2.482 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CCn1cc(C)cn1)CC2 ZINC001035855881 785294311 /nfs/dbraw/zinc/29/43/11/785294311.db2.gz BHZAZZCKAOUXMK-UHFFFAOYSA-N 1 2 336.867 2.259 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)[C@@H]1C ZINC001088868285 791106552 /nfs/dbraw/zinc/10/65/52/791106552.db2.gz VBQPRKVCQROFQJ-OJLVUWQFSA-N 1 2 349.862 2.405 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)[C@@H]1C ZINC001088868285 791106556 /nfs/dbraw/zinc/10/65/56/791106556.db2.gz VBQPRKVCQROFQJ-OJLVUWQFSA-N 1 2 349.862 2.405 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]([NH2+]Cc2nc(N(C)C)no2)C(C)(C)C1 ZINC000996229793 786151675 /nfs/dbraw/zinc/15/16/75/786151675.db2.gz VRKNUXWXQGUUJI-UGSOOPFHSA-N 1 2 349.479 2.065 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CC3(C)CCCCC3)nn2)C1 ZINC001107185472 786260710 /nfs/dbraw/zinc/26/07/10/786260710.db2.gz SMIROVDKXFQBQN-UHFFFAOYSA-N 1 2 331.464 2.298 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cnc(C)cn2)C[C@H]1OC ZINC001212349482 786400320 /nfs/dbraw/zinc/40/03/20/786400320.db2.gz XXUSLOQXKZYOMU-DJIMGWMZSA-N 1 2 332.448 2.018 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cnc(C)cn2)C[C@H]1OC ZINC001212349482 786400321 /nfs/dbraw/zinc/40/03/21/786400321.db2.gz XXUSLOQXKZYOMU-DJIMGWMZSA-N 1 2 332.448 2.018 20 30 EEEDLO CC(C)c1nc(C[NH2+]C[C@H]2[C@H](C)CCCN2C(=O)C#CC2CC2)no1 ZINC001036550318 786646758 /nfs/dbraw/zinc/64/67/58/786646758.db2.gz SBUZWWUDLGIUJS-ZBFHGGJFSA-N 1 2 344.459 2.323 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)sc3C)C[C@@H]2O)C1 ZINC001090555109 786895841 /nfs/dbraw/zinc/89/58/41/786895841.db2.gz HDZRYFUHWJGRIP-ZBFHGGJFSA-N 1 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787569844 /nfs/dbraw/zinc/56/98/44/787569844.db2.gz JWGSNNBWBNZXOC-VQTKUKTRSA-N 1 2 338.415 2.194 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001062264068 787722105 /nfs/dbraw/zinc/72/21/05/787722105.db2.gz GNEMRHXGOVXQNN-MRXNPFEDSA-N 1 2 332.448 2.127 20 30 EEEDLO Cc1cc(C)c(C(=O)NC/C=C\CNc2cncc(C#N)n2)c(C)[nH+]1 ZINC001107599700 787845105 /nfs/dbraw/zinc/84/51/05/787845105.db2.gz SCQAGGZHDSDDDN-PLNGDYQASA-N 1 2 336.399 2.067 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001079008963 787896228 /nfs/dbraw/zinc/89/62/28/787896228.db2.gz KKPRUGOQASSRMX-OAHLLOKOSA-N 1 2 346.475 2.493 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2Cl)[C@H](O)C1 ZINC001090779934 788232045 /nfs/dbraw/zinc/23/20/45/788232045.db2.gz GSKASONTDHFBSH-UONOGXRCSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(F)cc2Cl)[C@H](O)C1 ZINC001090779934 788232049 /nfs/dbraw/zinc/23/20/49/788232049.db2.gz GSKASONTDHFBSH-UONOGXRCSA-N 1 2 347.217 2.397 20 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789282383 /nfs/dbraw/zinc/28/23/83/789282383.db2.gz XJDCTBULADGOSZ-FQUUOJAGSA-N 1 2 332.366 2.205 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(F)(F)F ZINC001032411703 789282391 /nfs/dbraw/zinc/28/23/91/789282391.db2.gz XJDCTBULADGOSZ-FQUUOJAGSA-N 1 2 332.366 2.205 20 30 EEEDLO CCCCOCC[N@@H+]1CCO[C@@](C)(CNC(=O)C#CC(C)(C)C)C1 ZINC001107936066 789388187 /nfs/dbraw/zinc/38/81/87/789388187.db2.gz IUJFHYLUINXFJX-IBGZPJMESA-N 1 2 338.492 2.060 20 30 EEEDLO CCCCOCC[N@H+]1CCO[C@@](C)(CNC(=O)C#CC(C)(C)C)C1 ZINC001107936066 789388198 /nfs/dbraw/zinc/38/81/98/789388198.db2.gz IUJFHYLUINXFJX-IBGZPJMESA-N 1 2 338.492 2.060 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)[C@H](C)C1 ZINC001063781898 791723574 /nfs/dbraw/zinc/72/35/74/791723574.db2.gz JUOVWQYRNSGINI-TZMCWYRMSA-N 1 2 346.479 2.107 20 30 EEEDLO CC(C)C[C@H](C(=O)N[C@H](C)CNc1ncccc1C#N)n1cc[nH+]c1 ZINC001107978557 791758131 /nfs/dbraw/zinc/75/81/31/791758131.db2.gz CRFKTGASDYTWDS-GDBMZVCRSA-N 1 2 340.431 2.354 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nnc(C)o1)C2 ZINC001147381409 791807352 /nfs/dbraw/zinc/80/73/52/791807352.db2.gz HTGLOZFPCRUUOU-AWEZNQCLSA-N 1 2 330.432 2.167 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nnc(C)o1)C2 ZINC001147381409 791807356 /nfs/dbraw/zinc/80/73/56/791807356.db2.gz HTGLOZFPCRUUOU-AWEZNQCLSA-N 1 2 330.432 2.167 20 30 EEEDLO C#CCCCNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000173326349 791836804 /nfs/dbraw/zinc/83/68/04/791836804.db2.gz BWQMHRIYHBOBHF-INIZCTEOSA-N 1 2 329.444 2.497 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)oc3C)[C@@H]2C)cn1 ZINC001088991283 791841174 /nfs/dbraw/zinc/84/11/74/791841174.db2.gz SCDSXIJDIZXUDD-PXAZEXFGSA-N 1 2 338.411 2.061 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)oc3C)[C@@H]2C)cn1 ZINC001088991283 791841179 /nfs/dbraw/zinc/84/11/79/791841179.db2.gz SCDSXIJDIZXUDD-PXAZEXFGSA-N 1 2 338.411 2.061 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2nccc(C)n2)[C@@H]1C 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345.491 2.243 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc3n[nH]c(C)c3c2)[C@H]1C ZINC001089040094 791944782 /nfs/dbraw/zinc/94/47/82/791944782.db2.gz YHXQMWHCIDFORU-RISCZKNCSA-N 1 2 333.823 2.211 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc3n[nH]c(C)c3c2)[C@H]1C ZINC001089040094 791944785 /nfs/dbraw/zinc/94/47/85/791944785.db2.gz YHXQMWHCIDFORU-RISCZKNCSA-N 1 2 333.823 2.211 20 30 EEEDLO Cc1ccc(CN(C(=O)CO[NH+]=C(N)c2ccccc2)C2CC2)o1 ZINC000174068172 791948217 /nfs/dbraw/zinc/94/82/17/791948217.db2.gz HOOCUIGKDBQJNQ-UHFFFAOYSA-N 1 2 327.384 2.416 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c(C)nn(C)c3n2)[C@H]1C ZINC001089062080 792035302 /nfs/dbraw/zinc/03/53/02/792035302.db2.gz WHHRMDNLLXVKOG-OCCSQVGLSA-N 1 2 347.850 2.222 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(C)nn(C)c3n2)[C@H]1C ZINC001089062080 792035312 /nfs/dbraw/zinc/03/53/12/792035312.db2.gz WHHRMDNLLXVKOG-OCCSQVGLSA-N 1 2 347.850 2.222 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC1(CNC(=O)CCc2c[nH+]cn2C)CCC1 ZINC001063983423 792059850 /nfs/dbraw/zinc/05/98/50/792059850.db2.gz LFLCVQAVBVHNRW-OAHLLOKOSA-N 1 2 346.475 2.110 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079093994 792175778 /nfs/dbraw/zinc/17/57/78/792175778.db2.gz XIPVHORSWUAJLN-WBVHZDCISA-N 1 2 346.475 2.394 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nc(C3CC3)no1)C2 ZINC001148089075 792175988 /nfs/dbraw/zinc/17/59/88/792175988.db2.gz SHAYOMQFJVEKQR-UONOGXRCSA-N 1 2 344.459 2.440 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nc(C3CC3)no1)C2 ZINC001148089075 792175999 /nfs/dbraw/zinc/17/59/99/792175999.db2.gz SHAYOMQFJVEKQR-UONOGXRCSA-N 1 2 344.459 2.440 20 30 EEEDLO N#CCN1CC[C@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@H]12 ZINC000992034098 792408739 /nfs/dbraw/zinc/40/87/39/792408739.db2.gz VEMIAZDSERXJGD-PKOBYXMFSA-N 1 2 335.411 2.123 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCOc2cc(C)cc(C)c2)C1 ZINC001107982569 792423168 /nfs/dbraw/zinc/42/31/68/792423168.db2.gz BSECGWOHIAFIOS-HXUWFJFHSA-N 1 2 346.471 2.465 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCOc2cc(C)cc(C)c2)C1 ZINC001107982569 792423173 /nfs/dbraw/zinc/42/31/73/792423173.db2.gz BSECGWOHIAFIOS-HXUWFJFHSA-N 1 2 346.471 2.465 20 30 EEEDLO C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)CC[C@@H]1C(F)(F)F ZINC000998296041 792500166 /nfs/dbraw/zinc/50/01/66/792500166.db2.gz PEZAMUYJEMJLLP-SMDDNHRTSA-N 1 2 342.365 2.456 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1O ZINC001092163780 793618650 /nfs/dbraw/zinc/61/86/50/793618650.db2.gz HAZRUMPMQZKHSN-CVEARBPZSA-N 1 2 344.459 2.075 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3cc(C)cn3c2)[C@H](O)C1 ZINC001090317169 793805576 /nfs/dbraw/zinc/80/55/76/793805576.db2.gz WUELLFVAZRDIRQ-IAGOWNOFSA-N 1 2 347.846 2.165 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3cc(C)cn3c2)[C@H](O)C1 ZINC001090317169 793805589 /nfs/dbraw/zinc/80/55/89/793805589.db2.gz WUELLFVAZRDIRQ-IAGOWNOFSA-N 1 2 347.846 2.165 20 30 EEEDLO C[C@@H]1C[C@@H](Nc2ccc(C#N)nc2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001064816493 793812296 /nfs/dbraw/zinc/81/22/96/793812296.db2.gz PIPJNTUFNLRTEZ-CABCVRRESA-N 1 2 338.415 2.031 20 30 EEEDLO C=C1CCC(C(=O)NC2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)CC1 ZINC000999112796 793820929 /nfs/dbraw/zinc/82/09/29/793820929.db2.gz JWEMTZZKFNRQCD-UHFFFAOYSA-N 1 2 344.459 2.000 20 30 EEEDLO C[C@H]1C[C@H](Nc2cccc(F)c2C#N)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001064832820 793825377 /nfs/dbraw/zinc/82/53/77/793825377.db2.gz STWSRJFQNLLGIP-QWHCGFSZSA-N 1 2 341.390 2.455 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cscc1C)c1nccn12 ZINC001092355182 793827892 /nfs/dbraw/zinc/82/78/92/793827892.db2.gz ABDWVRKVNMGZGO-OAHLLOKOSA-N 1 2 340.452 2.162 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CC1CC(C)(C)C1)c1nccn12 ZINC001092389847 793886178 /nfs/dbraw/zinc/88/61/78/793886178.db2.gz YUCYEQWTTUVVQB-OAHLLOKOSA-N 1 2 328.460 2.467 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)c1occc1Cl)c1nccn12 ZINC001092390738 793887294 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ZINC001106601477 795936420 /nfs/dbraw/zinc/93/64/20/795936420.db2.gz JGESTCDFIRVCLV-TZMCWYRMSA-N 1 2 340.431 2.170 20 30 EEEDLO Cc1cccc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)c1C ZINC001078110728 795948364 /nfs/dbraw/zinc/94/83/64/795948364.db2.gz RDAFBGMXRUQSJZ-NHCUHLMSSA-N 1 2 348.446 2.130 20 30 EEEDLO Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)c1C ZINC001078110728 795948371 /nfs/dbraw/zinc/94/83/71/795948371.db2.gz RDAFBGMXRUQSJZ-NHCUHLMSSA-N 1 2 348.446 2.130 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3nnc(CC)o3)C[C@H]2C)C1 ZINC001080404805 795979237 /nfs/dbraw/zinc/97/92/37/795979237.db2.gz ZSFADMDDWZQBJB-MGPQQGTHSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3nnc(CC)o3)C[C@H]2C)C1 ZINC001080404805 795979241 /nfs/dbraw/zinc/97/92/41/795979241.db2.gz ZSFADMDDWZQBJB-MGPQQGTHSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3ccc(CC)s3)nn2)C1 ZINC001094304310 796073295 /nfs/dbraw/zinc/07/32/95/796073295.db2.gz 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ZINC000993827163 797057848 /nfs/dbraw/zinc/05/78/48/797057848.db2.gz RWBGEUXUZVPVSY-DZGCQCFKSA-N 1 2 337.851 2.354 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001061017538 797115517 /nfs/dbraw/zinc/11/55/17/797115517.db2.gz SSKNSBJPZKOSNQ-ZDUSSCGKSA-N 1 2 341.390 2.314 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001061017538 797115521 /nfs/dbraw/zinc/11/55/21/797115521.db2.gz SSKNSBJPZKOSNQ-ZDUSSCGKSA-N 1 2 341.390 2.314 20 30 EEEDLO Cn1ncc2c1CC[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172988552 797182641 /nfs/dbraw/zinc/18/26/41/797182641.db2.gz CEXOBQOXYZOXFH-GJZGRUSLSA-N 1 2 345.447 2.070 20 30 EEEDLO Cn1ncc2c1CC[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172988552 797182646 /nfs/dbraw/zinc/18/26/46/797182646.db2.gz CEXOBQOXYZOXFH-GJZGRUSLSA-N 1 2 345.447 2.070 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2ncccn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000994068235 797298328 /nfs/dbraw/zinc/29/83/28/797298328.db2.gz 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C=CCCOCC(=O)N1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095184391 797494847 /nfs/dbraw/zinc/49/48/47/797494847.db2.gz QTHVAUVGECELJH-UHFFFAOYSA-N 1 2 344.459 2.294 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001095247374 797558715 /nfs/dbraw/zinc/55/87/15/797558715.db2.gz HZWCDTQMBQQSJM-OLZOCXBDSA-N 1 2 342.447 2.224 20 30 EEEDLO C[C@@H]1CN(S(=O)(=O)CC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000916324603 797583267 /nfs/dbraw/zinc/58/32/67/797583267.db2.gz QNJPNNHGKSPSTJ-OAHLLOKOSA-N 1 2 335.473 2.072 20 30 EEEDLO C[C@@H]1CN(S(=O)(=O)CC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000916324603 797583273 /nfs/dbraw/zinc/58/32/73/797583273.db2.gz QNJPNNHGKSPSTJ-OAHLLOKOSA-N 1 2 335.473 2.072 20 30 EEEDLO COC(=O)[C@H](CS)[NH2+]C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173676581 797592745 /nfs/dbraw/zinc/59/27/45/797592745.db2.gz WWNJDCDOHOPOKT-WZRBSPASSA-N 1 2 346.493 2.224 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2c(C)nn(C)c2F)[C@@H]1C ZINC000994344756 797827661 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ZINC001084204677 798058316 /nfs/dbraw/zinc/05/83/16/798058316.db2.gz ADAUOINJNPFIEV-DXCKQFNASA-N 1 2 347.459 2.482 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001061093660 798129876 /nfs/dbraw/zinc/12/98/76/798129876.db2.gz KJROBMRCTQJLLZ-HNNXBMFYSA-N 1 2 344.459 2.006 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4cnc(C)cn4)C[C@H]32)cc1 ZINC001084567639 798278980 /nfs/dbraw/zinc/27/89/80/798278980.db2.gz CSPMRPOIGBRYDL-UYAOXDASSA-N 1 2 346.434 2.113 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4cnc(C)cn4)C[C@H]32)cc1 ZINC001084567639 798278985 /nfs/dbraw/zinc/27/89/85/798278985.db2.gz CSPMRPOIGBRYDL-UYAOXDASSA-N 1 2 346.434 2.113 20 30 EEEDLO CCn1cnc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)c1 ZINC001084778596 798450954 /nfs/dbraw/zinc/45/09/54/798450954.db2.gz FZIFYOZLUCIBNU-IEBWSBKVSA-N 1 2 349.438 2.121 20 30 EEEDLO CCn1cnc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)c1 ZINC001084778596 798450958 /nfs/dbraw/zinc/45/09/58/798450958.db2.gz 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C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@@H+](Cc3coc(C4CC4)n3)[C@H]2C1 ZINC001084907148 798545976 /nfs/dbraw/zinc/54/59/76/798545976.db2.gz WDLDTRAQCLJZTI-IOASZLSFSA-N 1 2 328.416 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@H+](CCOCC3CCC3)[C@@H]2C1 ZINC001176954632 798655752 /nfs/dbraw/zinc/65/57/52/798655752.db2.gz GTYYOEUWMRAZHL-QZTJIDSGSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@@H+](CCOCC3CCC3)[C@@H]2C1 ZINC001176954632 798655756 /nfs/dbraw/zinc/65/57/56/798655756.db2.gz GTYYOEUWMRAZHL-QZTJIDSGSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2OCC[N@@H+](CCOCC)[C@@H]2C1 ZINC001177020485 798699157 /nfs/dbraw/zinc/69/91/57/798699157.db2.gz ZXEZJOCZMRJNIX-QZTJIDSGSA-N 1 2 336.476 2.093 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2OCC[N@H+](CCOCC)[C@@H]2C1 ZINC001177020485 798699159 /nfs/dbraw/zinc/69/91/59/798699159.db2.gz ZXEZJOCZMRJNIX-QZTJIDSGSA-N 1 2 336.476 2.093 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CCN(c3nc(C)[nH+]c(C)c3C)C2)nc1 ZINC001065268832 798834670 /nfs/dbraw/zinc/83/46/70/798834670.db2.gz HNHDCTGQFJSSNI-HXUWFJFHSA-N 1 2 349.438 2.177 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CCN(c3nc(C)[nH+]c(C)c3C)C2)nc1 ZINC001065268831 798834691 /nfs/dbraw/zinc/83/46/91/798834691.db2.gz HNHDCTGQFJSSNI-FQEVSTJZSA-N 1 2 349.438 2.177 20 30 EEEDLO C#CCCCCC(=O)N(Cc1ccccc1)CC1(O)C[NH+](CC)C1 ZINC001177520495 799001626 /nfs/dbraw/zinc/00/16/26/799001626.db2.gz QPGFFKGZKZEMCR-UHFFFAOYSA-N 1 2 328.456 2.275 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@](C)(CNc3cc[nH+]c(C)n3)C2)cn1 ZINC001065439701 799049048 /nfs/dbraw/zinc/04/90/48/799049048.db2.gz YWUWUAKVSZUZCZ-IBGZPJMESA-N 1 2 335.411 2.126 20 30 EEEDLO C=CCC(CC=C)C(=O)NCc1cnn2c1C[N@H+](C[C@H](C)OC)CC2 ZINC001128366882 799086487 /nfs/dbraw/zinc/08/64/87/799086487.db2.gz NQKPXGDCJILCBH-HNNXBMFYSA-N 1 2 346.475 2.118 20 30 EEEDLO C=CCC(CC=C)C(=O)NCc1cnn2c1C[N@@H+](C[C@H](C)OC)CC2 ZINC001128366882 799086492 /nfs/dbraw/zinc/08/64/92/799086492.db2.gz NQKPXGDCJILCBH-HNNXBMFYSA-N 1 2 346.475 2.118 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@](C)(CNc2[nH+]cnc3c2cnn3C)C1 ZINC001065469350 799087754 /nfs/dbraw/zinc/08/77/54/799087754.db2.gz RWMVSDONCJBINT-GOSISDBHSA-N 1 2 342.447 2.226 20 30 EEEDLO C[C@H](C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O)n1cc[nH+]c1 ZINC001177927711 799191087 /nfs/dbraw/zinc/19/10/87/799191087.db2.gz WRBODYYRSJQYIR-SECBINFHSA-N 1 2 329.743 2.090 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC3CC3)C2)CC1 ZINC001065680920 799335430 /nfs/dbraw/zinc/33/54/30/799335430.db2.gz OWGFPBQQHDUQDD-AEFFLSMTSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C=C(C)C)C2)CC1 ZINC001065683256 799340481 /nfs/dbraw/zinc/34/04/81/799340481.db2.gz XBJDLMIUZHZCBP-QZTJIDSGSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC001065703491 799349473 /nfs/dbraw/zinc/34/94/73/799349473.db2.gz DECFVSPSVNWJPK-LTFKWQPMSA-N 1 2 347.503 2.300 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC3(C)CC3)CC2)C1 ZINC001065706814 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CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2csc3c2CCCC3)C1 ZINC001108385340 803430699 /nfs/dbraw/zinc/43/06/99/803430699.db2.gz DYQIFDKBEMWSGF-IBGZPJMESA-N 1 2 346.496 2.471 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001108422651 803537170 /nfs/dbraw/zinc/53/71/70/803537170.db2.gz YXYYKPROUILCCV-BEFAXECRSA-N 1 2 332.444 2.192 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001108422651 803537174 /nfs/dbraw/zinc/53/71/74/803537174.db2.gz YXYYKPROUILCCV-BEFAXECRSA-N 1 2 332.444 2.192 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)CCCC(C)(C)C)CC2=O)C1 ZINC001108523890 803942117 /nfs/dbraw/zinc/94/21/17/803942117.db2.gz UEQMPRJDHNLYIO-OAHLLOKOSA-N 1 2 335.492 2.180 20 30 EEEDLO C#CCCOc1ccc(C(=O)N[C@@H](C)CNc2cc[nH+]c(C)n2)cc1 ZINC001108526390 803961024 /nfs/dbraw/zinc/96/10/24/803961024.db2.gz AAKUUMFQHUQRCN-AWEZNQCLSA-N 1 2 338.411 2.418 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)C[C@H](C)CC(C)C)CC2=O)C1 ZINC001108585370 804223567 /nfs/dbraw/zinc/22/35/67/804223567.db2.gz RPYKINCBMZMZEK-CVEARBPZSA-N 1 2 335.492 2.036 20 30 EEEDLO CO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001109004299 804809820 /nfs/dbraw/zinc/80/98/20/804809820.db2.gz KYCMUUBWQTZTFL-ZSGPHXLJSA-N 1 2 346.858 2.448 20 30 EEEDLO CO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001109004299 804809828 /nfs/dbraw/zinc/80/98/28/804809828.db2.gz KYCMUUBWQTZTFL-ZSGPHXLJSA-N 1 2 346.858 2.448 20 30 EEEDLO CC[C@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109042129 804857861 /nfs/dbraw/zinc/85/78/61/804857861.db2.gz IBGOEIZOLBBASS-OWSLCNJRSA-N 1 2 327.428 2.205 20 30 EEEDLO CC[C@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109042129 804857864 /nfs/dbraw/zinc/85/78/64/804857864.db2.gz IBGOEIZOLBBASS-OWSLCNJRSA-N 1 2 327.428 2.205 20 30 EEEDLO CC[C@H](OC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109036733 804874769 /nfs/dbraw/zinc/87/47/69/804874769.db2.gz 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2.420 20 30 EEEDLO C=CCOCCCC(=O)N1CC[NH+](CCc2csc(C)n2)CC1 ZINC001112755275 807153123 /nfs/dbraw/zinc/15/31/23/807153123.db2.gz BHEYORGUOXUBAE-UHFFFAOYSA-N 1 2 337.489 2.121 20 30 EEEDLO CCc1ccc([C@H](O)C[NH+]2CCN(C(=O)C#CC(C)(C)C)CC2)cc1 ZINC001112836925 807381058 /nfs/dbraw/zinc/38/10/58/807381058.db2.gz MKWMIZFAMRVSLJ-LJQANCHMSA-N 1 2 342.483 2.476 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC1CC(CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001112866879 807496152 /nfs/dbraw/zinc/49/61/52/807496152.db2.gz URAZOKPIHWKATR-GRTSSRMGSA-N 1 2 346.479 2.155 20 30 EEEDLO C#CCn1ccc(CN(CC)C(=O)Nc2ccc(C)[nH+]c2N(C)C)n1 ZINC000788645739 807602573 /nfs/dbraw/zinc/60/25/73/807602573.db2.gz KOOGGZVVUAJKOV-UHFFFAOYSA-N 1 2 340.431 2.340 20 30 EEEDLO C=CCOCC(=O)N[C@@H](C)[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001112923954 807605026 /nfs/dbraw/zinc/60/50/26/807605026.db2.gz QTQHOLWUIJSHIG-QWHCGFSZSA-N 1 2 332.448 2.172 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(OCCCC)cc2O)CC1 ZINC000789752867 808185172 /nfs/dbraw/zinc/18/51/72/808185172.db2.gz OAWODAAQKLWWMN-UHFFFAOYSA-N 1 2 330.428 2.352 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H](C)Nc1cccc(F)c1C#N ZINC001113138396 808248158 /nfs/dbraw/zinc/24/81/58/808248158.db2.gz PXKBUXWVANYPMR-QWRGUYRKSA-N 1 2 329.379 2.277 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001113313773 808708114 /nfs/dbraw/zinc/70/81/14/808708114.db2.gz MXECISYGTWOLCS-STQMWFEESA-N 1 2 342.447 2.415 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2oc(CC(C)C)nc2C)CC1 ZINC001113416359 808946897 /nfs/dbraw/zinc/94/68/97/808946897.db2.gz MVGMWSFQGDQADC-UHFFFAOYSA-N 1 2 335.448 2.142 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)C2(CCOCC)CCCC2)CC1 ZINC001113458851 809017995 /nfs/dbraw/zinc/01/79/95/809017995.db2.gz NVNROYHHAOKASU-UHFFFAOYSA-N 1 2 338.492 2.320 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H](C)N(C)c1nc(C)[nH+]c(C)c1C ZINC001113530826 809153017 /nfs/dbraw/zinc/15/30/17/809153017.db2.gz UITIKXXGHCNHCL-DOMZBBRYSA-N 1 2 334.464 2.324 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@]2(C)CCOc3ccccc32)CC1 ZINC001113543716 809177580 /nfs/dbraw/zinc/17/75/80/809177580.db2.gz AFPLBOKZRZOLOL-FQEVSTJZSA-N 1 2 344.455 2.074 20 30 EEEDLO C[C@H](CNC(=O)CCc1c[nH+]cn1C)N(C)c1cccc(F)c1C#N ZINC001113682201 809539188 /nfs/dbraw/zinc/53/91/88/809539188.db2.gz UEEZACVCVFDPEW-CYBMUJFWSA-N 1 2 343.406 2.005 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](CCOc2ccc(C)cc2)CC1 ZINC001113715079 809622380 /nfs/dbraw/zinc/62/23/80/809622380.db2.gz ROSBTKAJXFRNIX-KRWDZBQOSA-N 1 2 332.444 2.109 20 30 EEEDLO C=CCC(CC=C)C(=O)NC[C@@H](C)N(C)c1[nH+]cnc2c1cnn2C ZINC001113726590 809669302 /nfs/dbraw/zinc/66/93/02/809669302.db2.gz MIZITVYGWIVELC-CYBMUJFWSA-N 1 2 342.447 2.073 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(NC(=O)N(C)C)c1C ZINC000792551574 809795737 /nfs/dbraw/zinc/79/57/37/809795737.db2.gz LQFPJNMCZCGTMC-INIZCTEOSA-N 1 2 328.416 2.125 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(NC(=O)N(C)C)c1C ZINC000792551574 809795741 /nfs/dbraw/zinc/79/57/41/809795741.db2.gz LQFPJNMCZCGTMC-INIZCTEOSA-N 1 2 328.416 2.125 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](C)N(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001113851529 809956207 /nfs/dbraw/zinc/95/62/07/809956207.db2.gz MNYJKSIIAJVSOZ-LIRRHRJNSA-N 1 2 345.491 2.008 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](C)N(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001113851529 809956209 /nfs/dbraw/zinc/95/62/09/809956209.db2.gz MNYJKSIIAJVSOZ-LIRRHRJNSA-N 1 2 345.491 2.008 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H](C)N(C)c1nc(C)[nH+]c(C)c1C ZINC001113933141 810091713 /nfs/dbraw/zinc/09/17/13/810091713.db2.gz PKQUCTVVDMVAAF-VUCTXSBTSA-N 1 2 346.475 2.324 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)N(C)c1nc(C)[nH+]c(C)c1C ZINC001113933480 810092153 /nfs/dbraw/zinc/09/21/53/810092153.db2.gz VBCYJLSUQAPUAX-ZLIFDBKOSA-N 1 2 346.475 2.324 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001113998731 810169322 /nfs/dbraw/zinc/16/93/22/810169322.db2.gz CHRAVOLWUGWFIH-MKVSYHDVSA-N 1 2 349.500 2.233 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001113998731 810169326 /nfs/dbraw/zinc/16/93/26/810169326.db2.gz CHRAVOLWUGWFIH-MKVSYHDVSA-N 1 2 349.500 2.233 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CC[C@@H]1C ZINC001114027101 810211749 /nfs/dbraw/zinc/21/17/49/810211749.db2.gz IIIAMCHASJKMKL-GOEBONIOSA-N 1 2 346.475 2.442 20 30 EEEDLO CC(C)[C@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)Nc1ccc(C#N)cn1 ZINC001114104924 810371821 /nfs/dbraw/zinc/37/18/21/810371821.db2.gz QYMSPKHVIZJNPA-HNNXBMFYSA-N 1 2 340.431 2.204 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001114164651 810509887 /nfs/dbraw/zinc/50/98/87/810509887.db2.gz WOPOJIGQDQAJRU-HWWDLCQESA-N 1 2 331.485 2.446 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001114164651 810509892 /nfs/dbraw/zinc/50/98/92/810509892.db2.gz WOPOJIGQDQAJRU-HWWDLCQESA-N 1 2 331.485 2.446 20 30 EEEDLO CCCC[C@H](CNc1ncc(C#N)cc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001114274627 810730266 /nfs/dbraw/zinc/73/02/66/810730266.db2.gz LLSAUYLAEACYAE-CYBMUJFWSA-N 1 2 344.394 2.145 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCCCCCCC)[C@@H](n2ccnn2)C1 ZINC001129400638 810837676 /nfs/dbraw/zinc/83/76/76/810837676.db2.gz VQAIGJNFELAFPV-SJORKVTESA-N 1 2 331.464 2.003 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCCCCCCC)[C@@H](n2ccnn2)C1 ZINC001129400638 810837682 /nfs/dbraw/zinc/83/76/82/810837682.db2.gz VQAIGJNFELAFPV-SJORKVTESA-N 1 2 331.464 2.003 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[NH2+][C@H](C)c2nc(C)no2)cc1 ZINC001130371071 811521304 /nfs/dbraw/zinc/52/13/04/811521304.db2.gz ATGUGBVSHONJMC-GFCCVEGCSA-N 1 2 330.388 2.023 20 30 EEEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)CCc2[nH]cc[nH+]2)ccc1OC ZINC000806854496 812011177 /nfs/dbraw/zinc/01/11/77/812011177.db2.gz IANUCWYPRFLIGA-AWEZNQCLSA-N 1 2 342.399 2.348 20 30 EEEDLO C=CCc1cc(OCC)cc(C[N@@H+]2CCOC[C@H]2CC(=O)OC)c1O ZINC000808213585 812519232 /nfs/dbraw/zinc/51/92/32/812519232.db2.gz RXQJANQHYRQBIU-MRXNPFEDSA-N 1 2 349.427 2.283 20 30 EEEDLO C=CCc1cc(OCC)cc(C[N@H+]2CCOC[C@H]2CC(=O)OC)c1O ZINC000808213585 812519237 /nfs/dbraw/zinc/51/92/37/812519237.db2.gz RXQJANQHYRQBIU-MRXNPFEDSA-N 1 2 349.427 2.283 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@]2(CC[N@H+](Cc3cscn3)C2)C1 ZINC001131650920 813080726 /nfs/dbraw/zinc/08/07/26/813080726.db2.gz YMBBKRDOCMXJHI-PBHICJAKSA-N 1 2 335.473 2.301 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@]2(CC[N@@H+](Cc3cscn3)C2)C1 ZINC001131650920 813080735 /nfs/dbraw/zinc/08/07/35/813080735.db2.gz YMBBKRDOCMXJHI-PBHICJAKSA-N 1 2 335.473 2.301 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCCn1nc(C)cc1C ZINC001439376834 1092116224 /nfs/dbraw/zinc/11/62/24/1092116224.db2.gz WVQWHARJLYXFSQ-AWEZNQCLSA-N 1 2 326.872 2.469 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCCn1nc(C)cc1C ZINC001439376834 1092116227 /nfs/dbraw/zinc/11/62/27/1092116227.db2.gz WVQWHARJLYXFSQ-AWEZNQCLSA-N 1 2 326.872 2.469 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC1(F)F ZINC001440435587 1093640898 /nfs/dbraw/zinc/64/08/98/1093640898.db2.gz MCYCYCFNLLCBFN-JTQLQIEISA-N 1 2 325.197 2.331 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC1(F)F ZINC001440435587 1093640902 /nfs/dbraw/zinc/64/09/02/1093640902.db2.gz MCYCYCFNLLCBFN-JTQLQIEISA-N 1 2 325.197 2.331 20 30 EEEDLO Cc1nnccc1C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC001443024334 1097431135 /nfs/dbraw/zinc/43/11/35/1097431135.db2.gz FZFAZVUFSZBMDB-UHFFFAOYSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1nnccc1C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC001443024334 1097431137 /nfs/dbraw/zinc/43/11/37/1097431137.db2.gz FZFAZVUFSZBMDB-UHFFFAOYSA-N 1 2 335.411 2.051 20 30 EEEDLO C[C@@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)c1cc(C(F)F)[nH]n1 ZINC001444661308 1099499017 /nfs/dbraw/zinc/49/90/17/1099499017.db2.gz DPQFZAVSRANHDQ-NSHDSACASA-N 1 2 347.369 2.469 20 30 EEEDLO Cc1noc([C@@H](C)[NH2+]C[C@@H](CC(C)C)NC(=O)c2cc(C#N)c[nH]2)n1 ZINC001496261813 1100832611 /nfs/dbraw/zinc/83/26/11/1100832611.db2.gz GZNYCDJIGGJVGO-BXUZGUMPSA-N 1 2 344.419 2.073 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1cc(Cl)n(C)n1 ZINC001496746827 1101394808 /nfs/dbraw/zinc/39/48/08/1101394808.db2.gz UZVMRFNAOKZKRV-UHFFFAOYSA-N 1 2 345.834 2.149 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1cc(Cl)n(C)n1 ZINC001496746827 1101394816 /nfs/dbraw/zinc/39/48/16/1101394816.db2.gz UZVMRFNAOKZKRV-UHFFFAOYSA-N 1 2 345.834 2.149 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2csc(C(C)C)n2)C1 ZINC001446783757 1101415329 /nfs/dbraw/zinc/41/53/29/1101415329.db2.gz PUHJORMHHZJJHE-HNNXBMFYSA-N 1 2 343.880 2.186 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2csc(C(C)C)n2)C1 ZINC001446783757 1101415334 /nfs/dbraw/zinc/41/53/34/1101415334.db2.gz PUHJORMHHZJJHE-HNNXBMFYSA-N 1 2 343.880 2.186 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2cccs2)C1 ZINC001494263201 1103773248 /nfs/dbraw/zinc/77/32/48/1103773248.db2.gz YCFDBTVVKGUGTF-LSDHHAIUSA-N 1 2 349.500 2.472 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2cccs2)C1 ZINC001494263201 1103773254 /nfs/dbraw/zinc/77/32/54/1103773254.db2.gz YCFDBTVVKGUGTF-LSDHHAIUSA-N 1 2 349.500 2.472 20 30 EEEDLO CCC1(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CCOCC1 ZINC001494606611 1104191748 /nfs/dbraw/zinc/19/17/48/1104191748.db2.gz LGELSTARTXEHAI-UHFFFAOYSA-N 1 2 341.455 2.313 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC001494756071 1104339392 /nfs/dbraw/zinc/33/93/92/1104339392.db2.gz JQYXMZANIXMYJU-MRXNPFEDSA-N 1 2 329.444 2.418 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC001494756071 1104339400 /nfs/dbraw/zinc/33/94/00/1104339400.db2.gz JQYXMZANIXMYJU-MRXNPFEDSA-N 1 2 329.444 2.418 20 30 EEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001466801897 1110443958 /nfs/dbraw/zinc/44/39/58/1110443958.db2.gz HAMVWWNRJMBLGC-ZDUSSCGKSA-N 1 2 348.410 2.177 20 30 EEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001466801897 1110443960 /nfs/dbraw/zinc/44/39/60/1110443960.db2.gz HAMVWWNRJMBLGC-ZDUSSCGKSA-N 1 2 348.410 2.177 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1ccc(OC)c(OC)c1 ZINC001506047934 1114373696 /nfs/dbraw/zinc/37/36/96/1114373696.db2.gz IQESERVTMBEHCE-ZDUSSCGKSA-N 1 2 340.851 2.435 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1ccc(OC)c(OC)c1 ZINC001506047934 1114373698 /nfs/dbraw/zinc/37/36/98/1114373698.db2.gz IQESERVTMBEHCE-ZDUSSCGKSA-N 1 2 340.851 2.435 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(F)ccc3C)n2CC=C)CC1 ZINC001520563099 1119175919 /nfs/dbraw/zinc/17/59/19/1119175919.db2.gz OHFAPXRAUOZOLF-UHFFFAOYSA-N 1 2 339.418 2.334 20 30 EEEDLO N#Cc1ccsc1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000052034052 214113806 /nfs/dbraw/zinc/11/38/06/214113806.db2.gz QHGQESGKXJQVCD-UHFFFAOYSA-N 1 2 341.436 2.382 20 30 EEEDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000329846478 539784718 /nfs/dbraw/zinc/78/47/18/539784718.db2.gz YGQZYWNDALETBG-CALCHBBNSA-N 1 2 326.400 2.209 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000451605188 243173073 /nfs/dbraw/zinc/17/30/73/243173073.db2.gz CNYPAXIHFMHVIH-FRRDWIJNSA-N 1 2 343.196 2.048 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)CCC(=O)c2ccc(F)cc2)n1 ZINC000491515594 246054875 /nfs/dbraw/zinc/05/48/75/246054875.db2.gz OJBCBMWXYABRAH-UHFFFAOYSA-N 1 2 343.402 2.377 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)CCC(=O)c2ccc(F)cc2)n1 ZINC000491515594 246054878 /nfs/dbraw/zinc/05/48/78/246054878.db2.gz OJBCBMWXYABRAH-UHFFFAOYSA-N 1 2 343.402 2.377 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@@H+](CCO)Cc2cccc(F)c2)c1 ZINC000494232364 246918511 /nfs/dbraw/zinc/91/85/11/246918511.db2.gz ZVGITTDLHUXTAE-UHFFFAOYSA-N 1 2 327.359 2.130 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@H+](CCO)Cc2cccc(F)c2)c1 ZINC000494232364 246918513 /nfs/dbraw/zinc/91/85/13/246918513.db2.gz ZVGITTDLHUXTAE-UHFFFAOYSA-N 1 2 327.359 2.130 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C/C=C\c1ccccc1F ZINC000495088393 247065075 /nfs/dbraw/zinc/06/50/75/247065075.db2.gz DKGSIAZXSRQVPM-UTCJRWHESA-N 1 2 345.418 2.303 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCN(CC)C(=O)[C@@H]1CC ZINC000495239930 247096163 /nfs/dbraw/zinc/09/61/63/247096163.db2.gz LLPFHPNNXLAKMY-MSOLQXFVSA-N 1 2 346.471 2.098 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCN(CC)C(=O)[C@@H]1CC ZINC000495239930 247096166 /nfs/dbraw/zinc/09/61/66/247096166.db2.gz LLPFHPNNXLAKMY-MSOLQXFVSA-N 1 2 346.471 2.098 20 30 EEEDLO COc1c(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c(C)nn1C ZINC000092597108 218153347 /nfs/dbraw/zinc/15/33/47/218153347.db2.gz YBFGPOVDOPTVNI-UHFFFAOYSA-N 1 2 343.406 2.070 20 30 EEEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1 ZINC000112696059 220376418 /nfs/dbraw/zinc/37/64/18/220376418.db2.gz FGXFCQRCYGMFIW-FQEVSTJZSA-N 1 2 346.434 2.486 20 30 EEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000054538914 292139931 /nfs/dbraw/zinc/13/99/31/292139931.db2.gz AUWDXQXUPFDNMT-CQSZACIVSA-N 1 2 346.431 2.188 20 30 EEEDLO N#Cc1ccc([C@H]([NH2+]Cc2cccc(OC(F)F)c2)C(N)=O)cc1 ZINC000115598783 152032525 /nfs/dbraw/zinc/03/25/25/152032525.db2.gz SYLKRHGOJZYLCX-HNNXBMFYSA-N 1 2 331.322 2.476 20 30 EEEDLO CCN1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000357678814 153284952 /nfs/dbraw/zinc/28/49/52/153284952.db2.gz FVYCUVGYBUTCEV-HNNXBMFYSA-N 1 2 326.360 2.073 20 30 EEEDLO Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000357759446 153330852 /nfs/dbraw/zinc/33/08/52/153330852.db2.gz HDGHOFIBPGHBMW-IBGZPJMESA-N 1 2 345.406 2.369 20 30 EEEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCOc1ccccc1C#N ZINC000374295415 154037242 /nfs/dbraw/zinc/03/72/42/154037242.db2.gz MJGRQKBHIUHUPR-INIZCTEOSA-N 1 2 326.400 2.351 20 30 EEEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCOc1ccccc1C#N ZINC000374295415 154037243 /nfs/dbraw/zinc/03/72/43/154037243.db2.gz MJGRQKBHIUHUPR-INIZCTEOSA-N 1 2 326.400 2.351 20 30 EEEDLO N#Cc1ccc(NCC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000247694107 160331462 /nfs/dbraw/zinc/33/14/62/160331462.db2.gz YOPICMAMZCXOBI-UHFFFAOYSA-N 1 2 340.452 2.376 20 30 EEEDLO N#Cc1cc(F)ccc1C[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000344503668 161234444 /nfs/dbraw/zinc/23/44/44/161234444.db2.gz QEDGHOPLRKHNPP-UHFFFAOYSA-N 1 2 338.386 2.118 20 30 EEEDLO Cc1cccc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c1C#N ZINC000352615009 162211932 /nfs/dbraw/zinc/21/19/32/162211932.db2.gz FZGVYQLVZCVYBT-OAHLLOKOSA-N 1 2 330.413 2.030 20 30 EEEDLO C[C@H](C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1)c1cccc(C#N)c1 ZINC000360727889 164370383 /nfs/dbraw/zinc/37/03/83/164370383.db2.gz IHJPIKPGZILFNN-KXBFYZLASA-N 1 2 341.455 2.231 20 30 EEEDLO C[C@H](C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1)c1cccc(C#N)c1 ZINC000360727889 164370384 /nfs/dbraw/zinc/37/03/84/164370384.db2.gz IHJPIKPGZILFNN-KXBFYZLASA-N 1 2 341.455 2.231 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(Br)c1 ZINC000368974474 166162701 /nfs/dbraw/zinc/16/27/01/166162701.db2.gz PMDNOZWAVNZZTN-CORIIIEPSA-N 1 2 348.244 2.407 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(Br)c1 ZINC000368974474 166162702 /nfs/dbraw/zinc/16/27/02/166162702.db2.gz PMDNOZWAVNZZTN-CORIIIEPSA-N 1 2 348.244 2.407 20 30 EEEDLO N#Cc1cncc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)n1 ZINC000420598144 270019820 /nfs/dbraw/zinc/01/98/20/270019820.db2.gz BRFMKVORRJBXQC-UHFFFAOYSA-N 1 2 336.424 2.280 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(C#N)cc1Cl ZINC000439435174 270020289 /nfs/dbraw/zinc/02/02/89/270020289.db2.gz DOAHHIWMMZGNEY-UHFFFAOYSA-N 1 2 332.835 2.260 20 30 EEEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@]2(CCOC2)O1 ZINC000331583652 266382310 /nfs/dbraw/zinc/38/23/10/266382310.db2.gz PFKNAPCRGHZCPX-GMBSWORKSA-N 1 2 343.427 2.155 20 30 EEEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@]2(CCOC2)O1 ZINC000331583652 266382314 /nfs/dbraw/zinc/38/23/14/266382314.db2.gz PFKNAPCRGHZCPX-GMBSWORKSA-N 1 2 343.427 2.155 20 30 EEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000366330892 268090654 /nfs/dbraw/zinc/09/06/54/268090654.db2.gz UERZULGFBAOKOE-QGZVFWFLSA-N 1 2 347.422 2.132 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3nc(N)c4ccccc4n3)CC2)cc1 ZINC000296706927 268118062 /nfs/dbraw/zinc/11/80/62/268118062.db2.gz KWDKNLDGWRXVJO-UHFFFAOYSA-N 1 2 344.422 2.406 20 30 EEEDLO Cn1cc(N2CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)cn1 ZINC000437622197 268129648 /nfs/dbraw/zinc/12/96/48/268129648.db2.gz HJMBCZIZAWXYGS-UHFFFAOYSA-N 1 2 347.369 2.215 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)NCC3CCCCC3)C2)nc1 ZINC000292046244 268184642 /nfs/dbraw/zinc/18/46/42/268184642.db2.gz AWLNYFQANQCVFM-KRWDZBQOSA-N 1 2 342.443 2.103 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)NCC3CCCCC3)C2)nc1 ZINC000292046244 268184645 /nfs/dbraw/zinc/18/46/45/268184645.db2.gz AWLNYFQANQCVFM-KRWDZBQOSA-N 1 2 342.443 2.103 20 30 EEEDLO CC(=O)N1CC[C@@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c2ccccc21 ZINC000339761989 275466095 /nfs/dbraw/zinc/46/60/95/275466095.db2.gz VGZBGNUHMGHXIC-MJGOQNOKSA-N 1 2 348.406 2.172 20 30 EEEDLO CC1(C)C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)S1 ZINC000267920772 275852609 /nfs/dbraw/zinc/85/26/09/275852609.db2.gz ITEUNJBBBJJOPQ-UHFFFAOYSA-N 1 2 345.428 2.470 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)c1C#N ZINC000540863645 318079812 /nfs/dbraw/zinc/07/98/12/318079812.db2.gz OVWGUAWKLJDMDZ-AWEZNQCLSA-N 1 2 339.399 2.151 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)c1C#N ZINC000540863645 318079814 /nfs/dbraw/zinc/07/98/14/318079814.db2.gz OVWGUAWKLJDMDZ-AWEZNQCLSA-N 1 2 339.399 2.151 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)c1C#N ZINC000540863645 318079816 /nfs/dbraw/zinc/07/98/16/318079816.db2.gz OVWGUAWKLJDMDZ-AWEZNQCLSA-N 1 2 339.399 2.151 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)c1C#N ZINC000540863645 318079819 /nfs/dbraw/zinc/07/98/19/318079819.db2.gz OVWGUAWKLJDMDZ-AWEZNQCLSA-N 1 2 339.399 2.151 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)c1C#N ZINC000540863645 318079822 /nfs/dbraw/zinc/07/98/22/318079822.db2.gz OVWGUAWKLJDMDZ-AWEZNQCLSA-N 1 2 339.399 2.151 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)c1C#N ZINC000540863645 318079825 /nfs/dbraw/zinc/07/98/25/318079825.db2.gz OVWGUAWKLJDMDZ-AWEZNQCLSA-N 1 2 339.399 2.151 20 30 EEEDLO C[C@@H]1CCC[C@@H](Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)C1 ZINC000563437730 319011416 /nfs/dbraw/zinc/01/14/16/319011416.db2.gz BLCRJXUGHBSNQB-HZPDHXFCSA-N 1 2 329.444 2.378 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)s1 ZINC000575238969 320098553 /nfs/dbraw/zinc/09/85/53/320098553.db2.gz OVTHIIZODGBDNS-UHFFFAOYSA-N 1 2 342.424 2.124 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C(C)C)CC1 ZINC000296000723 465047959 /nfs/dbraw/zinc/04/79/59/465047959.db2.gz NFBFSLBUTDOGKB-UHFFFAOYSA-N 1 2 341.434 2.344 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](NC(=O)CC)C2)c1C ZINC000354676822 465089844 /nfs/dbraw/zinc/08/98/44/465089844.db2.gz IOGBNSHKVDIGKI-INIZCTEOSA-N 1 2 331.460 2.464 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](NC(=O)CC)C2)c1C ZINC000354676822 465089848 /nfs/dbraw/zinc/08/98/48/465089848.db2.gz IOGBNSHKVDIGKI-INIZCTEOSA-N 1 2 331.460 2.464 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(OC)c(OC)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000347634532 465138817 /nfs/dbraw/zinc/13/88/17/465138817.db2.gz GAMUVJHLYZXRIY-OAHLLOKOSA-N 1 2 339.457 2.187 20 30 EEEDLO C=CC[N@H+](Cc1ccc(OC)c(OC)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000347634532 465138822 /nfs/dbraw/zinc/13/88/22/465138822.db2.gz GAMUVJHLYZXRIY-OAHLLOKOSA-N 1 2 339.457 2.187 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc1 ZINC000341422335 465158061 /nfs/dbraw/zinc/15/80/61/465158061.db2.gz LETXNTXHANAXJI-UHFFFAOYSA-N 1 2 338.392 2.427 20 30 EEEDLO CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)CC2 ZINC000328944088 465176444 /nfs/dbraw/zinc/17/64/44/465176444.db2.gz LSWUFUCXKUXVPF-CHWSQXEVSA-N 1 2 328.420 2.132 20 30 EEEDLO C=CCN1CC[C@H]([NH+]2CCN(C/C=C\c3ccccc3)CC2)C1=O ZINC000337129529 465206212 /nfs/dbraw/zinc/20/62/12/465206212.db2.gz IXAVLDHEMMUREY-QBUQCISBSA-N 1 2 325.456 2.104 20 30 EEEDLO C=CCN1CC[C@H](N2CC[NH+](C/C=C\c3ccccc3)CC2)C1=O ZINC000337129529 465206215 /nfs/dbraw/zinc/20/62/15/465206215.db2.gz IXAVLDHEMMUREY-QBUQCISBSA-N 1 2 325.456 2.104 20 30 EEEDLO CC(=O)N1CC[C@H](C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329030024 465208857 /nfs/dbraw/zinc/20/88/57/465208857.db2.gz LBSYOYVIBWEVOQ-KBPBESRZSA-N 1 2 332.448 2.320 20 30 EEEDLO COCC1(O)C[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000297489188 465259258 /nfs/dbraw/zinc/25/92/58/465259258.db2.gz UWUPUZNQNYOGPN-UHFFFAOYSA-N 1 2 338.407 2.330 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000341991745 465283089 /nfs/dbraw/zinc/28/30/89/465283089.db2.gz OTPFHDGDOSCOND-UHFFFAOYSA-N 1 2 335.835 2.208 20 30 EEEDLO O=C(Nc1cccc2c1OCO2)N1CC[NH+](Cc2cccnc2)CC1 ZINC000329334682 465302098 /nfs/dbraw/zinc/30/20/98/465302098.db2.gz OFJRJBSRPROMDQ-UHFFFAOYSA-N 1 2 340.383 2.174 20 30 EEEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)CCC2 ZINC000329346133 465306365 /nfs/dbraw/zinc/30/63/65/465306365.db2.gz VAZRFWQEGDZMKT-MRXNPFEDSA-N 1 2 344.440 2.060 20 30 EEEDLO Cc1nc(N2CCN(C(=O)Nc3scnc3C3CC3)CC2)cc[nH+]1 ZINC000329495109 465353539 /nfs/dbraw/zinc/35/35/39/465353539.db2.gz FNPJYWBLDMAYBW-UHFFFAOYSA-N 1 2 344.444 2.487 20 30 EEEDLO C#C[C@H](NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1)C(C)C ZINC000490963642 468277538 /nfs/dbraw/zinc/27/75/38/468277538.db2.gz WUHGADZJIODAAZ-ZOBUZTSGSA-N 1 2 344.459 2.152 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc4[nH]ncc43)CC2)cc1 ZINC000045956294 462633647 /nfs/dbraw/zinc/63/36/47/462633647.db2.gz YKGJKBDAWSQUNM-UHFFFAOYSA-N 1 2 345.406 2.393 20 30 EEEDLO COc1ccccc1N1C(=O)C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1=O ZINC000046834568 462708869 /nfs/dbraw/zinc/70/88/69/462708869.db2.gz RDOSLDASDKLBJI-QGZVFWFLSA-N 1 2 349.390 2.331 20 30 EEEDLO COc1ccccc1N1C(=O)C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1=O ZINC000046834568 462708875 /nfs/dbraw/zinc/70/88/75/462708875.db2.gz RDOSLDASDKLBJI-QGZVFWFLSA-N 1 2 349.390 2.331 20 30 EEEDLO CC1(C)Cc2cccc(CN(CCC#N)CC[NH+]3CCOCC3)c2O1 ZINC000154749772 462804672 /nfs/dbraw/zinc/80/46/72/462804672.db2.gz IWHOMXHHHUNABB-UHFFFAOYSA-N 1 2 343.471 2.448 20 30 EEEDLO CC1(C)Cc2cc(CN(CCC#N)CC[NH+]3CCOCC3)ccc2O1 ZINC000154792539 462809449 /nfs/dbraw/zinc/80/94/49/462809449.db2.gz BARABCDTFYZLDA-UHFFFAOYSA-N 1 2 343.471 2.448 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091084225 462833798 /nfs/dbraw/zinc/83/37/98/462833798.db2.gz GOCAVAHKHYQFMC-CYBMUJFWSA-N 1 2 336.386 2.158 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(CC(F)F)CC1 ZINC000091084225 462833802 /nfs/dbraw/zinc/83/38/02/462833802.db2.gz GOCAVAHKHYQFMC-CYBMUJFWSA-N 1 2 336.386 2.158 20 30 EEEDLO C#CCC[NH+]1CCN(c2c(F)cc([N+](=O)[O-])cc2C(=O)OCC)CC1 ZINC000091480636 462882827 /nfs/dbraw/zinc/88/28/27/462882827.db2.gz GJCQWWOBYATPSG-UHFFFAOYSA-N 1 2 349.362 2.056 20 30 EEEDLO CC(C)[N@H+](CC(N)=O)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000014927185 462935175 /nfs/dbraw/zinc/93/51/75/462935175.db2.gz LYBZTGMMCURRHJ-UHFFFAOYSA-N 1 2 348.472 2.023 20 30 EEEDLO CC(C)[N@@H+](CC(N)=O)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000014927185 462935182 /nfs/dbraw/zinc/93/51/82/462935182.db2.gz LYBZTGMMCURRHJ-UHFFFAOYSA-N 1 2 348.472 2.023 20 30 EEEDLO COc1cccc2c1C[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000590759702 468330874 /nfs/dbraw/zinc/33/08/74/468330874.db2.gz JCTFQATZSQOUAA-KUHUBIRLSA-N 1 2 329.444 2.496 20 30 EEEDLO COc1cccc2c1C[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000590759702 468330876 /nfs/dbraw/zinc/33/08/76/468330876.db2.gz JCTFQATZSQOUAA-KUHUBIRLSA-N 1 2 329.444 2.496 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000067461078 463006957 /nfs/dbraw/zinc/00/69/57/463006957.db2.gz SXKLUTDZPZXNSW-FUHWJXTLSA-N 1 2 333.432 2.315 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000067461078 463006962 /nfs/dbraw/zinc/00/69/62/463006962.db2.gz SXKLUTDZPZXNSW-FUHWJXTLSA-N 1 2 333.432 2.315 20 30 EEEDLO CC(C)CNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000121139805 463086405 /nfs/dbraw/zinc/08/64/05/463086405.db2.gz RKCAMCUZLHOVKA-AEFFLSMTSA-N 1 2 328.460 2.030 20 30 EEEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000068429051 463135985 /nfs/dbraw/zinc/13/59/85/463135985.db2.gz OHOGUKOWMVYQEQ-CYBMUJFWSA-N 1 2 334.851 2.248 20 30 EEEDLO CC(C)C[C@H](C)N(C)C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158192074 463214320 /nfs/dbraw/zinc/21/43/20/463214320.db2.gz NNJWJKCIVIRNSO-ZDUSSCGKSA-N 1 2 333.432 2.151 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)c1 ZINC000029444888 463256874 /nfs/dbraw/zinc/25/68/74/463256874.db2.gz SCSDIWCCGCSKFA-UHFFFAOYSA-N 1 2 346.394 2.325 20 30 EEEDLO COC(=O)C1([N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)CCCC1 ZINC000159181894 463272994 /nfs/dbraw/zinc/27/29/94/463272994.db2.gz YIRVFRHSVFXTJB-UHFFFAOYSA-N 1 2 335.448 2.089 20 30 EEEDLO COC(=O)C1([N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)CCCC1 ZINC000159181894 463272998 /nfs/dbraw/zinc/27/29/98/463272998.db2.gz YIRVFRHSVFXTJB-UHFFFAOYSA-N 1 2 335.448 2.089 20 30 EEEDLO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029859700 463276391 /nfs/dbraw/zinc/27/63/91/463276391.db2.gz NKTLLFUKAJVDFX-CQSZACIVSA-N 1 2 332.423 2.076 20 30 EEEDLO CN(C(=O)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)C1(C#N)CCCCC1 ZINC000069902578 463348745 /nfs/dbraw/zinc/34/87/45/463348745.db2.gz KCQFPPWAXFHJKM-OCCSQVGLSA-N 1 2 347.381 2.059 20 30 EEEDLO CN(C(=O)C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)C1(C#N)CCCCC1 ZINC000069902578 463348749 /nfs/dbraw/zinc/34/87/49/463348749.db2.gz KCQFPPWAXFHJKM-OCCSQVGLSA-N 1 2 347.381 2.059 20 30 EEEDLO Cc1cccn2cc(CCNS(=O)(=O)c3ccc(C#N)cc3)[nH+]c12 ZINC000080787240 463356550 /nfs/dbraw/zinc/35/65/50/463356550.db2.gz XGXHIUJSSSMHGF-UHFFFAOYSA-N 1 2 340.408 2.035 20 30 EEEDLO CC1CCN(C(=O)C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 ZINC000080908171 463364984 /nfs/dbraw/zinc/36/49/84/463364984.db2.gz GOLQSNZYQWDVGS-IBGZPJMESA-N 1 2 340.471 2.127 20 30 EEEDLO Cc1nc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)ccc1C#N ZINC000032314906 463371278 /nfs/dbraw/zinc/37/12/78/463371278.db2.gz YHJKVVXODDVIPV-UHFFFAOYSA-N 1 2 345.406 2.479 20 30 EEEDLO C#CC[N@@H+](C[C@H](C)c1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000491515633 468359911 /nfs/dbraw/zinc/35/99/11/468359911.db2.gz ORUGEVCEKKQMIE-BLLLJJGKSA-N 1 2 327.396 2.191 20 30 EEEDLO C#CC[N@H+](C[C@H](C)c1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000491515633 468359916 /nfs/dbraw/zinc/35/99/16/468359916.db2.gz ORUGEVCEKKQMIE-BLLLJJGKSA-N 1 2 327.396 2.191 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)NCc2sccc2C)cc1 ZINC000151165997 463488431 /nfs/dbraw/zinc/48/84/31/463488431.db2.gz VEQQKESLLQMHDY-UHFFFAOYSA-N 1 2 333.413 2.018 20 30 EEEDLO CCC[C@@H](C)NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354527 463559658 /nfs/dbraw/zinc/55/96/58/463559658.db2.gz YZGUAMRWLVDODW-SJORKVTESA-N 1 2 342.487 2.369 20 30 EEEDLO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000042354527 463559661 /nfs/dbraw/zinc/55/96/61/463559661.db2.gz YZGUAMRWLVDODW-SJORKVTESA-N 1 2 342.487 2.369 20 30 EEEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000268515259 463775795 /nfs/dbraw/zinc/77/57/95/463775795.db2.gz TUCPFRBEJHXQJU-OLZOCXBDSA-N 1 2 326.400 2.088 20 30 EEEDLO N#Cc1ccc(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000590947199 468379787 /nfs/dbraw/zinc/37/97/87/468379787.db2.gz HRGMNJNSSNBVCN-OAHLLOKOSA-N 1 2 327.363 2.441 20 30 EEEDLO CC1=C(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)SCCO1 ZINC000287358183 463878873 /nfs/dbraw/zinc/87/88/73/463878873.db2.gz RVUNPPSKCWUPNA-UHFFFAOYSA-N 1 2 343.452 2.197 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277800231 463932721 /nfs/dbraw/zinc/93/27/21/463932721.db2.gz OKNMUHMFSLEKGJ-GHMZBOCLSA-N 1 2 330.354 2.299 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277800231 463932726 /nfs/dbraw/zinc/93/27/26/463932726.db2.gz OKNMUHMFSLEKGJ-GHMZBOCLSA-N 1 2 330.354 2.299 20 30 EEEDLO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000278333022 463963162 /nfs/dbraw/zinc/96/31/62/463963162.db2.gz OOSVJLMLMHUNAK-DYVFJYSZSA-N 1 2 338.835 2.057 20 30 EEEDLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000278333022 463963169 /nfs/dbraw/zinc/96/31/69/463963169.db2.gz OOSVJLMLMHUNAK-DYVFJYSZSA-N 1 2 338.835 2.057 20 30 EEEDLO C=CCC[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)c1ccccc1 ZINC000269379986 463970251 /nfs/dbraw/zinc/97/02/51/463970251.db2.gz XDUUAAKVDMZYEP-MSOLQXFVSA-N 1 2 330.476 2.239 20 30 EEEDLO C=CCC[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)c1ccccc1 ZINC000269379986 463970256 /nfs/dbraw/zinc/97/02/56/463970256.db2.gz XDUUAAKVDMZYEP-MSOLQXFVSA-N 1 2 330.476 2.239 20 30 EEEDLO COCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000179341171 464111543 /nfs/dbraw/zinc/11/15/43/464111543.db2.gz KEEQMWCDULIIQY-HOCLYGCPSA-N 1 2 331.416 2.013 20 30 EEEDLO COCCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000179341171 464111547 /nfs/dbraw/zinc/11/15/47/464111547.db2.gz KEEQMWCDULIIQY-HOCLYGCPSA-N 1 2 331.416 2.013 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)Nc2ccnn2C(C)C)n1 ZINC000279650092 464120204 /nfs/dbraw/zinc/12/02/04/464120204.db2.gz BGQKPGLYERAQEH-HNNXBMFYSA-N 1 2 342.447 2.143 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)Nc2ccnn2C(C)C)n1 ZINC000279650092 464120212 /nfs/dbraw/zinc/12/02/12/464120212.db2.gz BGQKPGLYERAQEH-HNNXBMFYSA-N 1 2 342.447 2.143 20 30 EEEDLO Cc1nc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)ccc1C#N ZINC000291997545 464164679 /nfs/dbraw/zinc/16/46/79/464164679.db2.gz RCVFQSFJJSZQGH-MOPGFXCFSA-N 1 2 334.423 2.351 20 30 EEEDLO Cc1nc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)ccc1C#N ZINC000291997545 464164684 /nfs/dbraw/zinc/16/46/84/464164684.db2.gz RCVFQSFJJSZQGH-MOPGFXCFSA-N 1 2 334.423 2.351 20 30 EEEDLO C=CCOCCCC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000173365917 464248365 /nfs/dbraw/zinc/24/83/65/464248365.db2.gz OEQVMNDAOBYYBB-OAHLLOKOSA-N 1 2 338.473 2.220 20 30 EEEDLO CN(Cc1cccc(C#N)c1)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000188574548 464313932 /nfs/dbraw/zinc/31/39/32/464313932.db2.gz XXRFGVGECJOSPV-GOSISDBHSA-N 1 2 327.428 2.160 20 30 EEEDLO CN(Cc1cccc(C#N)c1)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000188574548 464313938 /nfs/dbraw/zinc/31/39/38/464313938.db2.gz XXRFGVGECJOSPV-GOSISDBHSA-N 1 2 327.428 2.160 20 30 EEEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCSC[C@H]3C#N)cn2c1 ZINC000271814680 464387737 /nfs/dbraw/zinc/38/77/37/464387737.db2.gz YXQKKXVOQGYJND-CQSZACIVSA-N 1 2 346.481 2.344 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000293471792 464407002 /nfs/dbraw/zinc/40/70/02/464407002.db2.gz XKPUDWWOJIUYGU-RTBURBONSA-N 1 2 338.407 2.308 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000293471792 464407005 /nfs/dbraw/zinc/40/70/05/464407005.db2.gz XKPUDWWOJIUYGU-RTBURBONSA-N 1 2 338.407 2.308 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)CN1CCCC[C@H]1c1[nH+]ccn1CC ZINC000294047902 464431149 /nfs/dbraw/zinc/43/11/49/464431149.db2.gz JEJCSMNIJHSYOX-CVEARBPZSA-N 1 2 331.464 2.438 20 30 EEEDLO CC[C@@](C)(C#N)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000285053259 464438919 /nfs/dbraw/zinc/43/89/19/464438919.db2.gz KNPRMYVOMLTXNO-HKUYNNGSSA-N 1 2 329.444 2.424 20 30 EEEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000189365234 464486447 /nfs/dbraw/zinc/48/64/47/464486447.db2.gz NTYHWQWGROZUGS-AWEZNQCLSA-N 1 2 347.216 2.496 20 30 EEEDLO CCCCCCC[C@H](C)CNC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000285454268 464570475 /nfs/dbraw/zinc/57/04/75/464570475.db2.gz LLODLWGMYXZSJV-HNNXBMFYSA-N 1 2 336.480 2.491 20 30 EEEDLO CC[C@](C)(C#N)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000285536944 464600971 /nfs/dbraw/zinc/60/09/71/464600971.db2.gz RPHJSVGATKEMSC-LJQANCHMSA-N 1 2 342.443 2.146 20 30 EEEDLO C#CCO[C@H](C)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000294794781 464606144 /nfs/dbraw/zinc/60/61/44/464606144.db2.gz BBAVODDKKZMAJM-MRXNPFEDSA-N 1 2 329.444 2.185 20 30 EEEDLO CCc1ccc([C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO2)cc1 ZINC000190321563 464620925 /nfs/dbraw/zinc/62/09/25/464620925.db2.gz CNMPKFZRUOKLOO-MAUKXSAKSA-N 1 2 329.444 2.383 20 30 EEEDLO CCc1ccc([C@H]2C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO2)cc1 ZINC000190321563 464620932 /nfs/dbraw/zinc/62/09/32/464620932.db2.gz CNMPKFZRUOKLOO-MAUKXSAKSA-N 1 2 329.444 2.383 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000182306965 464624764 /nfs/dbraw/zinc/62/47/64/464624764.db2.gz PGCAPTIGYHBBBJ-SFHVURJKSA-N 1 2 347.484 2.385 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000182306965 464624771 /nfs/dbraw/zinc/62/47/71/464624771.db2.gz PGCAPTIGYHBBBJ-SFHVURJKSA-N 1 2 347.484 2.385 20 30 EEEDLO CC1(C#N)CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000272612005 464679860 /nfs/dbraw/zinc/67/98/60/464679860.db2.gz SNBCAPAJMRUJEY-UHFFFAOYSA-N 1 2 328.372 2.110 20 30 EEEDLO CC(C)CO[C@@H]1CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000247452723 464681403 /nfs/dbraw/zinc/68/14/03/464681403.db2.gz JIFCZNQHSZXBPV-CABCVRRESA-N 1 2 333.457 2.472 20 30 EEEDLO CC(C)CO[C@@H]1CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000247452723 464681409 /nfs/dbraw/zinc/68/14/09/464681409.db2.gz JIFCZNQHSZXBPV-CABCVRRESA-N 1 2 333.457 2.472 20 30 EEEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000285945199 464751217 /nfs/dbraw/zinc/75/12/17/464751217.db2.gz MJHXMOXJLQQVAI-KRWDZBQOSA-N 1 2 328.416 2.182 20 30 EEEDLO CNc1ccc(C#N)cc1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000285945199 464751221 /nfs/dbraw/zinc/75/12/21/464751221.db2.gz MJHXMOXJLQQVAI-KRWDZBQOSA-N 1 2 328.416 2.182 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2ccc(F)cc2C#N)CC1(C)C ZINC000295247598 464760513 /nfs/dbraw/zinc/76/05/13/464760513.db2.gz KAWZGGUSQFLERQ-AWEZNQCLSA-N 1 2 348.403 2.203 20 30 EEEDLO COCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1cccnc1 ZINC000191234466 464803926 /nfs/dbraw/zinc/80/39/26/464803926.db2.gz PWHUMXCIDROTSR-UHFFFAOYSA-N 1 2 344.459 2.215 20 30 EEEDLO COCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1cccnc1 ZINC000191234466 464803930 /nfs/dbraw/zinc/80/39/30/464803930.db2.gz PWHUMXCIDROTSR-UHFFFAOYSA-N 1 2 344.459 2.215 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c(C(F)(F)F)c1 ZINC000356341535 465324811 /nfs/dbraw/zinc/32/48/11/465324811.db2.gz KQVGFHUMSKBRPU-GXTWGEPZSA-N 1 2 344.358 2.196 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c(C(F)(F)F)c1 ZINC000356341535 465324819 /nfs/dbraw/zinc/32/48/19/465324819.db2.gz KQVGFHUMSKBRPU-GXTWGEPZSA-N 1 2 344.358 2.196 20 30 EEEDLO Cc1nc(N2CCN(C(=O)NC[C@H]3CCCCS3)CC2)cc[nH+]1 ZINC000329441446 465335826 /nfs/dbraw/zinc/33/58/26/465335826.db2.gz ALMXBEUVXVGDJM-CQSZACIVSA-N 1 2 335.477 2.107 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@@H](c2cccs2)C1 ZINC000329547138 465367842 /nfs/dbraw/zinc/36/78/42/465367842.db2.gz AZISYIDELHBFFW-BXUZGUMPSA-N 1 2 332.429 2.316 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@@H](c2cccs2)C1 ZINC000329547138 465367848 /nfs/dbraw/zinc/36/78/48/465367848.db2.gz AZISYIDELHBFFW-BXUZGUMPSA-N 1 2 332.429 2.316 20 30 EEEDLO C=C[C@H](CO)NC(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000358985002 465369236 /nfs/dbraw/zinc/36/92/36/465369236.db2.gz TWPXZZXFLHFKMJ-CYBMUJFWSA-N 1 2 328.416 2.280 20 30 EEEDLO O=C(NC1CC1)N[C@@H]1CCN(c2nc(C3CC3)[nH+]c3c2CCC3)C1 ZINC000329563972 465373359 /nfs/dbraw/zinc/37/33/59/465373359.db2.gz JYONYSYDTZJCMB-CYBMUJFWSA-N 1 2 327.432 2.087 20 30 EEEDLO CCc1cccc2c1OCC[C@@H]2NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329608337 465386112 /nfs/dbraw/zinc/38/61/12/465386112.db2.gz NBVVQHZWAHOIMY-YESZJQIVSA-N 1 2 345.443 2.001 20 30 EEEDLO CCc1cccc2c1OCC[C@@H]2NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329608337 465386117 /nfs/dbraw/zinc/38/61/17/465386117.db2.gz NBVVQHZWAHOIMY-YESZJQIVSA-N 1 2 345.443 2.001 20 30 EEEDLO C=C[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000359219546 465388000 /nfs/dbraw/zinc/38/80/00/465388000.db2.gz FRRFJFVUEBSIDA-UGFHNGPFSA-N 1 2 341.814 2.070 20 30 EEEDLO C=C[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000359219546 465388002 /nfs/dbraw/zinc/38/80/02/465388002.db2.gz FRRFJFVUEBSIDA-UGFHNGPFSA-N 1 2 341.814 2.070 20 30 EEEDLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000329652345 465398592 /nfs/dbraw/zinc/39/85/92/465398592.db2.gz DHFXYDDZICMIMB-CXAGYDPISA-N 1 2 346.431 2.287 20 30 EEEDLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000329652345 465398596 /nfs/dbraw/zinc/39/85/96/465398596.db2.gz DHFXYDDZICMIMB-CXAGYDPISA-N 1 2 346.431 2.287 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc3n(n1)CCO3)C2 ZINC000329770934 465430230 /nfs/dbraw/zinc/43/02/30/465430230.db2.gz GLNDAHAURRFHGB-LLVKDONJSA-N 1 2 329.404 2.089 20 30 EEEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339704090 465456170 /nfs/dbraw/zinc/45/61/70/465456170.db2.gz WBNRWNJOSVBVKY-MRXNPFEDSA-N 1 2 329.444 2.264 20 30 EEEDLO CCc1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1F ZINC000352110285 465475135 /nfs/dbraw/zinc/47/51/35/465475135.db2.gz SFUYNEVNORYSMU-UHFFFAOYSA-N 1 2 348.422 2.468 20 30 EEEDLO COCC1(C#N)CCN(c2cc(N3CCC[C@@H](C)C3)nc[nH+]2)CC1 ZINC000343136071 465478039 /nfs/dbraw/zinc/47/80/39/465478039.db2.gz AFLBBNBOVYCDIH-OAHLLOKOSA-N 1 2 329.448 2.469 20 30 EEEDLO COCC1(C#N)CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000343136071 465478043 /nfs/dbraw/zinc/47/80/43/465478043.db2.gz AFLBBNBOVYCDIH-OAHLLOKOSA-N 1 2 329.448 2.469 20 30 EEEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000329965975 465490717 /nfs/dbraw/zinc/49/07/17/465490717.db2.gz USALJHYSCYPQQZ-CYBMUJFWSA-N 1 2 333.413 2.063 20 30 EEEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@H]1CCCc2c[nH]nc21 ZINC000330067579 465523360 /nfs/dbraw/zinc/52/33/60/465523360.db2.gz FQKQMWNDVDDMEI-AWEZNQCLSA-N 1 2 328.420 2.066 20 30 EEEDLO C=CC[N@@H+](Cc1nnc(CC)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343566555 465529250 /nfs/dbraw/zinc/52/92/50/465529250.db2.gz KFLNMOKVGUZRHZ-CYBMUJFWSA-N 1 2 339.403 2.357 20 30 EEEDLO C=CC[N@H+](Cc1nnc(CC)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343566555 465529259 /nfs/dbraw/zinc/52/92/59/465529259.db2.gz KFLNMOKVGUZRHZ-CYBMUJFWSA-N 1 2 339.403 2.357 20 30 EEEDLO N#CC1(F)CC[NH+](CC(=O)NCCc2cccc3cccnc32)CC1 ZINC000352469470 465532143 /nfs/dbraw/zinc/53/21/43/465532143.db2.gz XXMBPJXAUGMAIC-UHFFFAOYSA-N 1 2 340.402 2.221 20 30 EEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1ccnn1C ZINC000348361100 465566543 /nfs/dbraw/zinc/56/65/43/465566543.db2.gz GAPOUWZVWSIZSW-SWKXRBFHSA-N 1 2 331.464 2.171 20 30 EEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1ccnn1C ZINC000348361100 465566545 /nfs/dbraw/zinc/56/65/45/465566545.db2.gz GAPOUWZVWSIZSW-SWKXRBFHSA-N 1 2 331.464 2.171 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000352904135 465566971 /nfs/dbraw/zinc/56/69/71/465566971.db2.gz SRPJBQNQKFDHEW-HNNXBMFYSA-N 1 2 347.463 2.242 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000352904135 465566975 /nfs/dbraw/zinc/56/69/75/465566975.db2.gz SRPJBQNQKFDHEW-HNNXBMFYSA-N 1 2 347.463 2.242 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)Cc1cnn(C(C)C)c1 ZINC000352905619 465567900 /nfs/dbraw/zinc/56/79/00/465567900.db2.gz YXABBBPPZYHNEN-IRXDYDNUSA-N 1 2 348.491 2.478 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)Cc1cnn(C(C)C)c1 ZINC000352905619 465567904 /nfs/dbraw/zinc/56/79/04/465567904.db2.gz YXABBBPPZYHNEN-IRXDYDNUSA-N 1 2 348.491 2.478 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccnn1C ZINC000348366626 465569391 /nfs/dbraw/zinc/56/93/91/465569391.db2.gz QMMJAOFIBKIUFE-HNNXBMFYSA-N 1 2 325.416 2.187 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccnn1C ZINC000348366626 465569395 /nfs/dbraw/zinc/56/93/95/465569395.db2.gz QMMJAOFIBKIUFE-HNNXBMFYSA-N 1 2 325.416 2.187 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1c[nH]nc1[C@H]1CCOC1)CCC2 ZINC000330329596 465615060 /nfs/dbraw/zinc/61/50/60/465615060.db2.gz MQZURRWANNQQMM-STQMWFEESA-N 1 2 329.404 2.301 20 30 EEEDLO N#CC[C@@H](CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000366378652 465691496 /nfs/dbraw/zinc/69/14/96/465691496.db2.gz RWTIDSKJJZPSBS-OALUTQOASA-N 1 2 341.455 2.397 20 30 EEEDLO Cc1nc(C(=O)NC[C@H](C)[NH+]2CCOCC2)c(Br)s1 ZINC000330706579 465770451 /nfs/dbraw/zinc/77/04/51/465770451.db2.gz OUGHWAOKUDZQOQ-QMMMGPOBSA-N 1 2 348.266 2.239 20 30 EEEDLO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCO[C@@H](C(C)C)C2)c1C ZINC000330740205 465784993 /nfs/dbraw/zinc/78/49/93/465784993.db2.gz OXEYNFNWWAZXMJ-MRXNPFEDSA-N 1 2 333.432 2.322 20 30 EEEDLO Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCO[C@@H](C(C)C)C2)c1C ZINC000330740205 465785000 /nfs/dbraw/zinc/78/50/00/465785000.db2.gz OXEYNFNWWAZXMJ-MRXNPFEDSA-N 1 2 333.432 2.322 20 30 EEEDLO Cc1cc(CO[NH+]=C(N)c2ccc(-n3nc(C)cc3C)nc2)on1 ZINC000299578104 465808645 /nfs/dbraw/zinc/80/86/45/465808645.db2.gz CQKNRVDEKAVUKR-UHFFFAOYSA-N 1 2 326.360 2.018 20 30 EEEDLO CC(C)Oc1c(F)cc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1F ZINC000330817404 465816977 /nfs/dbraw/zinc/81/69/77/465816977.db2.gz LVRMTBSEYIGAOC-GFCCVEGCSA-N 1 2 343.374 2.409 20 30 EEEDLO CC(C)Oc1c(F)cc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1F ZINC000330817404 465816984 /nfs/dbraw/zinc/81/69/84/465816984.db2.gz LVRMTBSEYIGAOC-GFCCVEGCSA-N 1 2 343.374 2.409 20 30 EEEDLO C=CCOc1ccc(CNC(=O)NCC[N@@H+]2CCO[C@@H](CC)C2)cc1 ZINC000357162077 465823242 /nfs/dbraw/zinc/82/32/42/465823242.db2.gz YIDJVXYCUMNSTG-KRWDZBQOSA-N 1 2 347.459 2.161 20 30 EEEDLO C=CCOc1ccc(CNC(=O)NCC[N@H+]2CCO[C@@H](CC)C2)cc1 ZINC000357162077 465823251 /nfs/dbraw/zinc/82/32/51/465823251.db2.gz YIDJVXYCUMNSTG-KRWDZBQOSA-N 1 2 347.459 2.161 20 30 EEEDLO N#Cc1ccccc1CSCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000366662150 465862938 /nfs/dbraw/zinc/86/29/38/465862938.db2.gz JMWPAUGNKRFEMK-AWEZNQCLSA-N 1 2 340.452 2.367 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3nccs3)[C@@H]2CC)c1 ZINC001087718943 782123317 /nfs/dbraw/zinc/12/33/17/782123317.db2.gz RPOZDGNSKJJHFC-JKSUJKDBSA-N 1 2 340.452 2.302 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3nccs3)[C@@H]2CC)c1 ZINC001087718943 782123320 /nfs/dbraw/zinc/12/33/20/782123320.db2.gz RPOZDGNSKJJHFC-JKSUJKDBSA-N 1 2 340.452 2.302 20 30 EEEDLO COc1cc(C)c(C(=O)NC(C)(C)C[NH+]2CCOCC2)cc1OC ZINC000331346107 466042063 /nfs/dbraw/zinc/04/20/63/466042063.db2.gz LWUPWXJRIMYXHW-UHFFFAOYSA-N 1 2 336.432 2.428 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccncc3)CC2)c(F)c1 ZINC000363090691 466213646 /nfs/dbraw/zinc/21/36/46/466213646.db2.gz IWPQUVGWCFAOPS-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccncc3)CC2)c(F)c1 ZINC000363090691 466213652 /nfs/dbraw/zinc/21/36/52/466213652.db2.gz IWPQUVGWCFAOPS-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO Cc1nc(C)n(C[C@H]2C[N@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)n1 ZINC000331747698 466230090 /nfs/dbraw/zinc/23/00/90/466230090.db2.gz XZYNBLLAWUPJKC-SCLBCKFNSA-N 1 2 325.416 2.229 20 30 EEEDLO Cc1nc(C)n(C[C@H]2C[N@@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)n1 ZINC000331747698 466230094 /nfs/dbraw/zinc/23/00/94/466230094.db2.gz XZYNBLLAWUPJKC-SCLBCKFNSA-N 1 2 325.416 2.229 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)CCC1 ZINC000346895281 466231270 /nfs/dbraw/zinc/23/12/70/466231270.db2.gz WUTZLISNAHNYDT-CQSZACIVSA-N 1 2 333.457 2.292 20 30 EEEDLO N#CC1(NC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)CCC1 ZINC000346895281 466231277 /nfs/dbraw/zinc/23/12/77/466231277.db2.gz WUTZLISNAHNYDT-CQSZACIVSA-N 1 2 333.457 2.292 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000340948899 466458987 /nfs/dbraw/zinc/45/89/87/466458987.db2.gz GBIPICSRNBWORJ-MJBXVCDLSA-N 1 2 333.457 2.474 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000340948899 466458995 /nfs/dbraw/zinc/45/89/95/466458995.db2.gz GBIPICSRNBWORJ-MJBXVCDLSA-N 1 2 333.457 2.474 20 30 EEEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000372611228 466505223 /nfs/dbraw/zinc/50/52/23/466505223.db2.gz JGJHDRGNTXMKHR-UONOGXRCSA-N 1 2 347.440 2.018 20 30 EEEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000372611228 466505230 /nfs/dbraw/zinc/50/52/30/466505230.db2.gz JGJHDRGNTXMKHR-UONOGXRCSA-N 1 2 347.440 2.018 20 30 EEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000341162102 466627323 /nfs/dbraw/zinc/62/73/23/466627323.db2.gz IGJQTDFYVNZNTC-HNNXBMFYSA-N 1 2 341.415 2.001 20 30 EEEDLO CCN1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1=O ZINC000363875543 466643782 /nfs/dbraw/zinc/64/37/82/466643782.db2.gz MCXDRHXKKMBIOF-UHFFFAOYSA-N 1 2 337.427 2.128 20 30 EEEDLO CCN1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1=O ZINC000363875543 466643783 /nfs/dbraw/zinc/64/37/83/466643783.db2.gz MCXDRHXKKMBIOF-UHFFFAOYSA-N 1 2 337.427 2.128 20 30 EEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@](C)(CC)CCCCC)CC1 ZINC000368745741 466697308 /nfs/dbraw/zinc/69/73/08/466697308.db2.gz HTVNRESHJKRLNN-HXUWFJFHSA-N 1 2 349.519 2.267 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@](C)(CC)CCCCC)CC1 ZINC000368745741 466697313 /nfs/dbraw/zinc/69/73/13/466697313.db2.gz HTVNRESHJKRLNN-HXUWFJFHSA-N 1 2 349.519 2.267 20 30 EEEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000662250380 472043212 /nfs/dbraw/zinc/04/32/12/472043212.db2.gz AELHYONGHLNKBC-HNNXBMFYSA-N 1 2 330.428 2.264 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411491136 466835098 /nfs/dbraw/zinc/83/50/98/466835098.db2.gz NPTXWKKMSIYZJM-HOCLYGCPSA-N 1 2 331.416 2.043 20 30 EEEDLO N#C[C@@H]1CSCCN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425237349 467089666 /nfs/dbraw/zinc/08/96/66/467089666.db2.gz RVPWVAGZZTYVMJ-CABCVRRESA-N 1 2 326.425 2.399 20 30 EEEDLO C=CCNC(=O)c1ccc(NC(=O)NCc2c[nH+]ccc2OC)cc1 ZINC000432920135 467275824 /nfs/dbraw/zinc/27/58/24/467275824.db2.gz YMVDLWVBZKBKIS-UHFFFAOYSA-N 1 2 340.383 2.328 20 30 EEEDLO CC(C)n1cnnc1C[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000429277165 467319603 /nfs/dbraw/zinc/31/96/03/467319603.db2.gz VBAFKNBUBRLDDD-UHFFFAOYSA-N 1 2 332.433 2.253 20 30 EEEDLO CC(C)n1cnnc1C[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000429277165 467319609 /nfs/dbraw/zinc/31/96/09/467319609.db2.gz VBAFKNBUBRLDDD-UHFFFAOYSA-N 1 2 332.433 2.253 20 30 EEEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)CSCc1ccc(C#N)cc1 ZINC000413966838 467352472 /nfs/dbraw/zinc/35/24/72/467352472.db2.gz MVEDSRUUOXEVPA-UHFFFAOYSA-N 1 2 347.484 2.018 20 30 EEEDLO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000449407679 467640164 /nfs/dbraw/zinc/64/01/64/467640164.db2.gz FOVPMMIOOUIBAG-DEOSSOPVSA-N 1 2 348.468 2.143 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC(=O)N1 ZINC000449525672 467657318 /nfs/dbraw/zinc/65/73/18/467657318.db2.gz STNDLLXYXVAMNN-OAHLLOKOSA-N 1 2 335.407 2.458 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC(=O)N1 ZINC000449525672 467657324 /nfs/dbraw/zinc/65/73/24/467657324.db2.gz STNDLLXYXVAMNN-OAHLLOKOSA-N 1 2 335.407 2.458 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000455406216 467675911 /nfs/dbraw/zinc/67/59/11/467675911.db2.gz HSIJNUYSDOJUHT-APTSRADASA-N 1 2 341.455 2.371 20 30 EEEDLO CCN1CCN(C(=O)/C=C\c2cccc(C#N)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000492665813 467706631 /nfs/dbraw/zinc/70/66/31/467706631.db2.gz DTQBOIDUNYYFTI-TUYSUELWSA-N 1 2 335.411 2.200 20 30 EEEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000450045559 467767615 /nfs/dbraw/zinc/76/76/15/467767615.db2.gz QPQMFRJHCNKQCK-WBOJAVRRSA-N 1 2 333.457 2.176 20 30 EEEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000450045559 467767617 /nfs/dbraw/zinc/76/76/17/467767617.db2.gz QPQMFRJHCNKQCK-WBOJAVRRSA-N 1 2 333.457 2.176 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1ccc(Br)o1 ZINC000493052793 467828986 /nfs/dbraw/zinc/82/89/86/467828986.db2.gz QJXBZQBOUJMWFZ-VUDGCMKMSA-N 1 2 326.194 2.015 20 30 EEEDLO CCn1cc[nH+]c1/C=C/C(=O)N(CCOC)Cc1ccc(C#N)cc1 ZINC000493611487 467948163 /nfs/dbraw/zinc/94/81/63/467948163.db2.gz LWIDHIWBIICRBS-CMDGGOBGSA-N 1 2 338.411 2.463 20 30 EEEDLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000488348779 468082907 /nfs/dbraw/zinc/08/29/07/468082907.db2.gz OFZAUZXQQCONQP-WMLDXEAASA-N 1 2 330.432 2.029 20 30 EEEDLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000488348779 468082909 /nfs/dbraw/zinc/08/29/09/468082909.db2.gz OFZAUZXQQCONQP-WMLDXEAASA-N 1 2 330.432 2.029 20 30 EEEDLO CN(C)C(=O)c1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)[nH]1 ZINC000548859441 468149409 /nfs/dbraw/zinc/14/94/09/468149409.db2.gz DPOJXXRLXWCLOX-UHFFFAOYSA-N 1 2 337.427 2.169 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000576644048 468170182 /nfs/dbraw/zinc/17/01/82/468170182.db2.gz FPRBHOKMHLONHM-KRWDZBQOSA-N 1 2 346.431 2.452 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496352469 468186916 /nfs/dbraw/zinc/18/69/16/468186916.db2.gz ZJOJZTSEIZRJAB-HUUCEWRRSA-N 1 2 339.480 2.256 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496352469 468186919 /nfs/dbraw/zinc/18/69/19/468186919.db2.gz ZJOJZTSEIZRJAB-HUUCEWRRSA-N 1 2 339.480 2.256 20 30 EEEDLO CCOc1ccccc1OCCCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000577876381 468193890 /nfs/dbraw/zinc/19/38/90/468193890.db2.gz VQJCJQCCEPYESR-SFHVURJKSA-N 1 2 333.432 2.204 20 30 EEEDLO C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCN(CCC#N)CC2)C1=O ZINC000590168778 468220942 /nfs/dbraw/zinc/22/09/42/468220942.db2.gz DUTXTMXKADGUSD-MAUKXSAKSA-N 1 2 344.434 2.019 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cc(Br)ccc1F ZINC000567995276 468253263 /nfs/dbraw/zinc/25/32/63/468253263.db2.gz GQYORSFRPDVJHQ-CQSZACIVSA-N 1 2 342.212 2.091 20 30 EEEDLO N#Cc1cncnc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000582266587 468514426 /nfs/dbraw/zinc/51/44/26/468514426.db2.gz AAAXHVFUBYFXGL-UHFFFAOYSA-N 1 2 330.395 2.350 20 30 EEEDLO COCCN(CCC#N)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000591816228 468524944 /nfs/dbraw/zinc/52/49/44/468524944.db2.gz BEBKWZJXRKTFPM-INIZCTEOSA-N 1 2 326.400 2.320 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000592149842 468640426 /nfs/dbraw/zinc/64/04/26/468640426.db2.gz XXPNIGKXUSLOJX-CQSZACIVSA-N 1 2 328.199 2.282 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000592149842 468640430 /nfs/dbraw/zinc/64/04/30/468640430.db2.gz XXPNIGKXUSLOJX-CQSZACIVSA-N 1 2 328.199 2.282 20 30 EEEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597710436 468647213 /nfs/dbraw/zinc/64/72/13/468647213.db2.gz UNOUNRQXDXMPTQ-APWZRJJASA-N 1 2 341.455 2.060 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000583247000 468668237 /nfs/dbraw/zinc/66/82/37/468668237.db2.gz QNXSPMQVBLFJQO-PMPSAXMXSA-N 1 2 344.390 2.291 20 30 EEEDLO N#Cc1cnn2cc(C[NH+]3CCN(c4ccc(F)cc4)CC3)cnc12 ZINC000592496820 468712205 /nfs/dbraw/zinc/71/22/05/468712205.db2.gz PLAUKPNYCHVQPO-UHFFFAOYSA-N 1 2 336.374 2.062 20 30 EEEDLO N#Cc1cc2c(nc1NCc1ccc(N3CCCCC3)[nH+]c1)CCOC2 ZINC000583793315 468755252 /nfs/dbraw/zinc/75/52/52/468755252.db2.gz GROHRYPFBHQOHI-UHFFFAOYSA-N 1 2 349.438 3.023 20 30 EEEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@H]1C ZINC000601383070 468850899 /nfs/dbraw/zinc/85/08/99/468850899.db2.gz KROMAGNSIAKEQE-CHWSQXEVSA-N 1 2 339.436 2.109 20 30 EEEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@H]1C ZINC000601383070 468850902 /nfs/dbraw/zinc/85/09/02/468850902.db2.gz KROMAGNSIAKEQE-CHWSQXEVSA-N 1 2 339.436 2.109 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000593155670 468889675 /nfs/dbraw/zinc/88/96/75/468889675.db2.gz QXQCEBUXZSOOSB-INIZCTEOSA-N 1 2 337.807 2.075 20 30 EEEDLO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595631221 468930929 /nfs/dbraw/zinc/93/09/29/468930929.db2.gz BYCFBHQBZJJTRS-ZIAGYGMSSA-N 1 2 334.489 2.435 20 30 EEEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)C[C@@H]1COCCO1 ZINC000595737543 468980476 /nfs/dbraw/zinc/98/04/76/468980476.db2.gz SBMBAMVDAYYZBP-CYBMUJFWSA-N 1 2 325.206 2.168 20 30 EEEDLO C[N@H+](Cc1cc(C#N)ccc1Br)C[C@@H]1COCCO1 ZINC000595737543 468980482 /nfs/dbraw/zinc/98/04/82/468980482.db2.gz SBMBAMVDAYYZBP-CYBMUJFWSA-N 1 2 325.206 2.168 20 30 EEEDLO Cc1nccnc1C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000602807388 469090021 /nfs/dbraw/zinc/09/00/21/469090021.db2.gz STGNPRAQVVPEJE-SFHVURJKSA-N 1 2 325.391 2.307 20 30 EEEDLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000588151792 469123200 /nfs/dbraw/zinc/12/32/00/469123200.db2.gz WLSURIUMLSODGH-RLFYNMQTSA-N 1 2 342.443 2.124 20 30 EEEDLO Cc1ccc(-c2ccnn2C)cc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000563008944 469134504 /nfs/dbraw/zinc/13/45/04/469134504.db2.gz DXAJNBKQKPDPNQ-MRXNPFEDSA-N 1 2 327.432 2.014 20 30 EEEDLO Cc1ccc(-c2ccnn2C)cc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000563008944 469134509 /nfs/dbraw/zinc/13/45/09/469134509.db2.gz DXAJNBKQKPDPNQ-MRXNPFEDSA-N 1 2 327.432 2.014 20 30 EEEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000573547147 469156994 /nfs/dbraw/zinc/15/69/94/469156994.db2.gz DWALGCSHOYHAOL-UHFFFAOYSA-N 1 2 332.407 2.359 20 30 EEEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000573547147 469156997 /nfs/dbraw/zinc/15/69/97/469156997.db2.gz DWALGCSHOYHAOL-UHFFFAOYSA-N 1 2 332.407 2.359 20 30 EEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000573621502 469172250 /nfs/dbraw/zinc/17/22/50/469172250.db2.gz BPCLCRYQBLVZLF-JTQLQIEISA-N 1 2 335.429 2.244 20 30 EEEDLO C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+]1CCN(CCC#N)CC1 ZINC000611174413 469182245 /nfs/dbraw/zinc/18/22/45/469182245.db2.gz ILVYAVWCYMQBCD-SJORKVTESA-N 1 2 340.471 2.274 20 30 EEEDLO Cc1ccc(CCn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)cc1 ZINC000596285757 469232927 /nfs/dbraw/zinc/23/29/27/469232927.db2.gz OHSVPTIRMHWQNU-UHFFFAOYSA-N 1 2 337.423 2.103 20 30 EEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NC1CCN(CC#N)CC1 ZINC000619528845 469632274 /nfs/dbraw/zinc/63/22/74/469632274.db2.gz HOKMMZDNDAUTJH-MRXNPFEDSA-N 1 2 344.463 2.128 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCC[C@H]3C#N)CC2)cs1 ZINC000613166539 469645937 /nfs/dbraw/zinc/64/59/37/469645937.db2.gz VQGZORUIIXFIFV-HOCLYGCPSA-N 1 2 347.488 2.361 20 30 EEEDLO Cc1nc(C[N@H+]2CCCN(C(=O)N[C@H]3CCC[C@H]3C#N)CC2)cs1 ZINC000613166539 469645940 /nfs/dbraw/zinc/64/59/40/469645940.db2.gz VQGZORUIIXFIFV-HOCLYGCPSA-N 1 2 347.488 2.361 20 30 EEEDLO C[C@@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000610354054 470007026 /nfs/dbraw/zinc/00/70/26/470007026.db2.gz OVVHWRDXWNPZON-ILXRZTDVSA-N 1 2 330.432 2.028 20 30 EEEDLO C=CCCn1cc(C[NH2+]Cc2cccnc2OCC(F)(F)F)nn1 ZINC000657305930 471091524 /nfs/dbraw/zinc/09/15/24/471091524.db2.gz OMDDJAFLAALYQD-UHFFFAOYSA-N 1 2 341.337 2.480 20 30 EEEDLO C=C(C)[C@H](CC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)o2)C1)OCC ZINC000677319195 486413544 /nfs/dbraw/zinc/41/35/44/486413544.db2.gz RVQJMOUQFPCGBX-HOTGVXAUSA-N 1 2 335.448 2.387 20 30 EEEDLO C=C(C)[C@H](CC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1)OCC ZINC000677319195 486413546 /nfs/dbraw/zinc/41/35/46/486413546.db2.gz RVQJMOUQFPCGBX-HOTGVXAUSA-N 1 2 335.448 2.387 20 30 EEEDLO C#CCCCCC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000179677274 526686852 /nfs/dbraw/zinc/68/68/52/526686852.db2.gz DUKIVXUIVPNFQU-UHFFFAOYSA-N 1 2 341.455 2.399 20 30 EEEDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000183405570 528010915 /nfs/dbraw/zinc/01/09/15/528010915.db2.gz BTIPITCBPVPBSA-UHFFFAOYSA-N 1 2 341.864 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2OC)nc1 ZINC000728803005 576530955 /nfs/dbraw/zinc/53/09/55/576530955.db2.gz LCQZJLOZNHMNNZ-SFHVURJKSA-N 1 2 346.390 2.324 20 30 EEEDLO C#Cc1ccc(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)cn1 ZINC000728962633 576566602 /nfs/dbraw/zinc/56/66/02/576566602.db2.gz KFXIEPYIUXTVBO-UHFFFAOYSA-N 1 2 347.378 2.028 20 30 EEEDLO Cc1ccc(CCC=NNC(=S)NCCc2ccccn2)c[nH+]1 ZINC000774378338 577397311 /nfs/dbraw/zinc/39/73/11/577397311.db2.gz JUGXAXIFCXQMDY-UHFFFAOYSA-N 1 2 327.457 2.410 20 30 EEEDLO C#C[C@H]([NH2+]Cc1nc(-c2ccc(OC)cc2OC)no1)[C@H]1CCCO1 ZINC000775801035 577446302 /nfs/dbraw/zinc/44/63/02/577446302.db2.gz VVRZNYMBNWEUCP-LSDHHAIUSA-N 1 2 343.383 2.024 20 30 EEEDLO C#C[C@H](NC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2)[C@@H]1CCCO1 ZINC000776403655 577459051 /nfs/dbraw/zinc/45/90/51/577459051.db2.gz BAXWEFPLAUJBKB-LPHOPBHVSA-N 1 2 349.434 2.133 20 30 EEEDLO C#C[C@H](NC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2)[C@@H]1CCCO1 ZINC000776403655 577459052 /nfs/dbraw/zinc/45/90/52/577459052.db2.gz BAXWEFPLAUJBKB-LPHOPBHVSA-N 1 2 349.434 2.133 20 30 EEEDLO C#CCCN1CC[NH+](Cc2cc(-c3ccc(OC)cc3)no2)CC1 ZINC000776592733 577463696 /nfs/dbraw/zinc/46/36/96/577463696.db2.gz LVWIQZMHCPXGIK-UHFFFAOYSA-N 1 2 325.412 2.491 20 30 EEEDLO CC(C)N1C(=O)CN(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1=O ZINC000767986050 577548696 /nfs/dbraw/zinc/54/86/96/577548696.db2.gz BRKIYSZKTURGRS-UHFFFAOYSA-N 1 2 338.411 2.277 20 30 EEEDLO CC(C)N1C(=O)CN(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1=O ZINC000767986050 577548697 /nfs/dbraw/zinc/54/86/97/577548697.db2.gz BRKIYSZKTURGRS-UHFFFAOYSA-N 1 2 338.411 2.277 20 30 EEEDLO CCCCCCNC(=O)[C@H]1CCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758203973 577618457 /nfs/dbraw/zinc/61/84/57/577618457.db2.gz ODPPJCWHMAAFCD-KRWDZBQOSA-N 1 2 344.459 2.086 20 30 EEEDLO CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758203973 577618458 /nfs/dbraw/zinc/61/84/58/577618458.db2.gz ODPPJCWHMAAFCD-KRWDZBQOSA-N 1 2 344.459 2.086 20 30 EEEDLO Cc1cccn2c(C=NN3C(=O)NC4(CCCCC4)C3=O)c[nH+]c12 ZINC000755542078 577826575 /nfs/dbraw/zinc/82/65/75/577826575.db2.gz DXGXZSAJCORUHK-UHFFFAOYSA-N 1 2 325.372 2.231 20 30 EEEDLO Cc1[nH]c[nH+]c1C=Nn1cnc2ccc(Br)cc2c1=O ZINC000755629123 577828158 /nfs/dbraw/zinc/82/81/58/577828158.db2.gz ZGPXXTAVVXTXGA-UHFFFAOYSA-N 1 2 332.161 2.073 20 30 EEEDLO Cc1ccc(N2CC[C@@H]([NH+]3CCN([C@@H](C#N)C(C)C)CC3)C2=O)cc1 ZINC000741785020 578124081 /nfs/dbraw/zinc/12/40/81/578124081.db2.gz MSDSGEIDFFJHNQ-MOPGFXCFSA-N 1 2 340.471 2.266 20 30 EEEDLO Fc1ccc(N[NH+]=Cc2c(N3CCOCC3)nc3ccccn32)nc1 ZINC000741810097 578124720 /nfs/dbraw/zinc/12/47/20/578124720.db2.gz PGYMXQANHSFXNC-UHFFFAOYSA-N 1 2 340.362 2.151 20 30 EEEDLO C[C@@H](NC(=O)c1cccnc1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969209766 674703203 /nfs/dbraw/zinc/70/32/03/674703203.db2.gz NEHSJHZOAHZQMF-CYBMUJFWSA-N 1 2 338.386 2.343 20 30 EEEDLO C=CC[C@H]1CCN1C(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000890553533 674764455 /nfs/dbraw/zinc/76/44/55/674764455.db2.gz VTSDYFNREFRLPD-HDMKZQKVSA-N 1 2 344.459 2.287 20 30 EEEDLO C[C@@H](NC(=O)[C@@H]1CCCCO1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969483427 675066892 /nfs/dbraw/zinc/06/68/92/675066892.db2.gz NYFYAXVGMOJKFR-ACJLOTCBSA-N 1 2 345.418 2.203 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C(F)(F)F)s2)C1 ZINC000969584506 675116396 /nfs/dbraw/zinc/11/63/96/675116396.db2.gz JIQYWKGVCRWJLF-SECBINFHSA-N 1 2 348.394 2.460 20 30 EEEDLO Cc1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3C#N)C2)nc(C)n1 ZINC000970580473 675999904 /nfs/dbraw/zinc/99/99/04/675999904.db2.gz LQBKHJNEQPSWEI-AWEZNQCLSA-N 1 2 349.438 2.215 20 30 EEEDLO Cc1conc1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000970703184 676090550 /nfs/dbraw/zinc/09/05/50/676090550.db2.gz PYMWBWMULSGCDR-GFCCVEGCSA-N 1 2 342.374 2.244 20 30 EEEDLO CCc1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3C#N)C2)no1 ZINC000970760429 676130802 /nfs/dbraw/zinc/13/08/02/676130802.db2.gz OTUROWSPEZNTLO-ZDUSSCGKSA-N 1 2 338.411 2.359 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(N3CCCC3)ccn2)C1 ZINC000970089219 675464886 /nfs/dbraw/zinc/46/48/86/675464886.db2.gz JPHAGVBBPAZDES-AWEZNQCLSA-N 1 2 348.878 2.484 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ocnc2C(F)(F)F)C1 ZINC000970215550 675714519 /nfs/dbraw/zinc/71/45/19/675714519.db2.gz ZZENRSABNOXTAK-QMMMGPOBSA-N 1 2 337.729 2.496 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC000970238042 675734059 /nfs/dbraw/zinc/73/40/59/675734059.db2.gz WWWNDCYKLDMNCP-NSHDSACASA-N 1 2 347.850 2.079 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)CC2CCOCC2)C1 ZINC000971236132 676450316 /nfs/dbraw/zinc/45/03/16/676450316.db2.gz PSSITPOTLJKOJR-CQSZACIVSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)CC2CCOCC2)C1 ZINC000971236132 676450317 /nfs/dbraw/zinc/45/03/17/676450317.db2.gz PSSITPOTLJKOJR-CQSZACIVSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2oc(C)nc2C)C1 ZINC000971267623 676464620 /nfs/dbraw/zinc/46/46/20/676464620.db2.gz ORXVZUXRRUXGHS-GFCCVEGCSA-N 1 2 342.237 2.346 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2oc(C)nc2C)C1 ZINC000971267623 676464621 /nfs/dbraw/zinc/46/46/21/676464621.db2.gz ORXVZUXRRUXGHS-GFCCVEGCSA-N 1 2 342.237 2.346 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC000971400291 676525508 /nfs/dbraw/zinc/52/55/08/676525508.db2.gz LGJCEZVVGBYQIS-NSHDSACASA-N 1 2 328.210 2.038 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC000971400291 676525510 /nfs/dbraw/zinc/52/55/10/676525510.db2.gz LGJCEZVVGBYQIS-NSHDSACASA-N 1 2 328.210 2.038 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3cncs3)C2)cc1 ZINC001006852368 676592508 /nfs/dbraw/zinc/59/25/08/676592508.db2.gz JZQLLXZLKFFYFF-OAHLLOKOSA-N 1 2 326.425 2.409 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cncs3)C2)cc1 ZINC001006852368 676592509 /nfs/dbraw/zinc/59/25/09/676592509.db2.gz JZQLLXZLKFFYFF-OAHLLOKOSA-N 1 2 326.425 2.409 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2C[C@@H]2C(F)F)cc1F ZINC001038213538 676623676 /nfs/dbraw/zinc/62/36/76/676623676.db2.gz CAUWYAWCGIHLRB-RDBSUJKOSA-N 1 2 337.345 2.289 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2C[C@@H]2C(F)F)cc1F ZINC001038213538 676623677 /nfs/dbraw/zinc/62/36/77/676623677.db2.gz CAUWYAWCGIHLRB-RDBSUJKOSA-N 1 2 337.345 2.289 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccns2)C1 ZINC000971621442 676653634 /nfs/dbraw/zinc/65/36/34/676653634.db2.gz JZURVXOEEQEWSI-JTQLQIEISA-N 1 2 330.251 2.198 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2ccns2)C1 ZINC000971621442 676653635 /nfs/dbraw/zinc/65/36/35/676653635.db2.gz JZURVXOEEQEWSI-JTQLQIEISA-N 1 2 330.251 2.198 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2c[nH]nc2CC)C1 ZINC000971845523 676881534 /nfs/dbraw/zinc/88/15/34/676881534.db2.gz WWZMPNKHOSZXFX-NSHDSACASA-N 1 2 341.253 2.027 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2c[nH]nc2CC)C1 ZINC000971845523 676881535 /nfs/dbraw/zinc/88/15/35/676881535.db2.gz WWZMPNKHOSZXFX-NSHDSACASA-N 1 2 341.253 2.027 20 30 EEEDLO CC(C)C(=O)N1CC[C@]2(C1)C[N@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC000972263618 678465757 /nfs/dbraw/zinc/46/57/57/678465757.db2.gz BBXFCXOCQJHZML-LJQANCHMSA-N 1 2 345.418 2.157 20 30 EEEDLO CC(C)C(=O)N1CC[C@]2(C1)C[N@@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC000972263618 678465760 /nfs/dbraw/zinc/46/57/60/678465760.db2.gz BBXFCXOCQJHZML-LJQANCHMSA-N 1 2 345.418 2.157 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3sc(C4CC4)nc3C)C2)C1 ZINC000972377678 678627001 /nfs/dbraw/zinc/62/70/01/678627001.db2.gz LGQPNDFJNJPRHA-SFHVURJKSA-N 1 2 347.484 2.432 20 30 EEEDLO 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C=CCO[C@@H](C)C(=O)NCc1cnn2c1C[N@@H+](CC/C=C\CC)CC2 ZINC001128602429 1194469869 /nfs/dbraw/zinc/46/98/69/1194469869.db2.gz IEQMMCLQJACHAS-WLMCBFPDSA-N 1 2 346.475 2.262 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cc(=O)c(OC)co3)C2)C1 ZINC001033392502 1194507333 /nfs/dbraw/zinc/50/73/33/1194507333.db2.gz BSNWVSLFRGZEIU-CQSZACIVSA-N 1 2 346.427 2.037 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cc(=O)c(OC)co3)C2)C1 ZINC001033392502 1194507337 /nfs/dbraw/zinc/50/73/37/1194507337.db2.gz BSNWVSLFRGZEIU-CQSZACIVSA-N 1 2 346.427 2.037 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn3cccc(OC)c23)C1 ZINC001033504977 1194637170 /nfs/dbraw/zinc/63/71/70/1194637170.db2.gz KZEHTHHTKUEJQU-CYBMUJFWSA-N 1 2 348.834 2.242 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn3cccc(OC)c23)C1 ZINC001033504977 1194637172 /nfs/dbraw/zinc/63/71/72/1194637172.db2.gz KZEHTHHTKUEJQU-CYBMUJFWSA-N 1 2 348.834 2.242 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001033668528 1195034216 /nfs/dbraw/zinc/03/42/16/1195034216.db2.gz HYWCTYCDDVJXLN-AWEZNQCLSA-N 1 2 347.850 2.245 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001033668528 1195034221 /nfs/dbraw/zinc/03/42/21/1195034221.db2.gz HYWCTYCDDVJXLN-AWEZNQCLSA-N 1 2 347.850 2.245 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001033855492 1195388446 /nfs/dbraw/zinc/38/84/46/1195388446.db2.gz ADEXVTQEZHWDHN-CYBMUJFWSA-N 1 2 339.871 2.322 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001033855492 1195388451 /nfs/dbraw/zinc/38/84/51/1195388451.db2.gz ADEXVTQEZHWDHN-CYBMUJFWSA-N 1 2 339.871 2.322 20 30 EEEDLO C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2cc(-c3ccn(C)c3)[nH]n2)C1 ZINC001033858394 1195400257 /nfs/dbraw/zinc/40/02/57/1195400257.db2.gz VMVZLYCBRXKVNV-HNNXBMFYSA-N 1 2 327.432 2.138 20 30 EEEDLO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(-c3ccn(C)c3)[nH]n2)C1 ZINC001033858394 1195400261 /nfs/dbraw/zinc/40/02/61/1195400261.db2.gz VMVZLYCBRXKVNV-HNNXBMFYSA-N 1 2 327.432 2.138 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001034013060 1195631873 /nfs/dbraw/zinc/63/18/73/1195631873.db2.gz BBDNSUYQVGVREW-DZGCQCFKSA-N 1 2 336.867 2.190 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001034013060 1195631875 /nfs/dbraw/zinc/63/18/75/1195631875.db2.gz BBDNSUYQVGVREW-DZGCQCFKSA-N 1 2 336.867 2.190 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnc(OCC)cn2)C1 ZINC001034053247 1195683964 /nfs/dbraw/zinc/68/39/64/1195683964.db2.gz AQJIMAGXFVOKNB-ZDUSSCGKSA-N 1 2 338.839 2.164 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnc(OCC)cn2)C1 ZINC001034053247 1195683966 /nfs/dbraw/zinc/68/39/66/1195683966.db2.gz AQJIMAGXFVOKNB-ZDUSSCGKSA-N 1 2 338.839 2.164 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c(C)o1 ZINC001034158697 1195846248 /nfs/dbraw/zinc/84/62/48/1195846248.db2.gz CISUKMCTKCQIOR-HNNXBMFYSA-N 1 2 341.415 2.276 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c(C)o1 ZINC001034158697 1195846252 /nfs/dbraw/zinc/84/62/52/1195846252.db2.gz CISUKMCTKCQIOR-HNNXBMFYSA-N 1 2 341.415 2.276 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc3n(n2)CCCO3)C1 ZINC001034303057 1196071181 /nfs/dbraw/zinc/07/11/81/1196071181.db2.gz ARWHQUUHDCWMLT-ZDUSSCGKSA-N 1 2 338.839 2.002 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc3n(n2)CCCO3)C1 ZINC001034303057 1196071186 /nfs/dbraw/zinc/07/11/86/1196071186.db2.gz ARWHQUUHDCWMLT-ZDUSSCGKSA-N 1 2 338.839 2.002 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cc(C)on2)C1 ZINC001034403883 1196196085 /nfs/dbraw/zinc/19/60/85/1196196085.db2.gz LMDPSBNMIYAZBZ-UAGQMJEPSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cc(C)on2)C1 ZINC001034403883 1196196088 /nfs/dbraw/zinc/19/60/88/1196196088.db2.gz LMDPSBNMIYAZBZ-UAGQMJEPSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001034428519 1196205721 /nfs/dbraw/zinc/20/57/21/1196205721.db2.gz NDKQGMCBZMNLDC-HNNXBMFYSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001034428519 1196205723 /nfs/dbraw/zinc/20/57/23/1196205723.db2.gz NDKQGMCBZMNLDC-HNNXBMFYSA-N 1 2 336.867 2.484 20 30 EEEDLO Cc1ccncc1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001014776892 1224334900 /nfs/dbraw/zinc/33/49/00/1224334900.db2.gz RMLAYHMVFJNRJS-LJQANCHMSA-N 1 2 334.423 2.195 20 30 EEEDLO Cc1ccncc1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001014776892 1224334910 /nfs/dbraw/zinc/33/49/10/1224334910.db2.gz RMLAYHMVFJNRJS-LJQANCHMSA-N 1 2 334.423 2.195 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc(C(F)(F)F)n1 ZINC001018143564 1224386818 /nfs/dbraw/zinc/38/68/18/1224386818.db2.gz HQOKQQBPVUPERE-PHIMTYICSA-N 1 2 343.374 2.474 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc(C(F)(F)F)n1 ZINC001018143564 1224386824 /nfs/dbraw/zinc/38/68/24/1224386824.db2.gz HQOKQQBPVUPERE-PHIMTYICSA-N 1 2 343.374 2.474 20 30 EEEDLO Cc1noc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)c1C ZINC001014863532 1224460239 /nfs/dbraw/zinc/46/02/39/1224460239.db2.gz MPOVXMGRSVVCAT-QGZVFWFLSA-N 1 2 341.386 2.286 20 30 EEEDLO Cc1noc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)c1C ZINC001014863532 1224460244 /nfs/dbraw/zinc/46/02/44/1224460244.db2.gz MPOVXMGRSVVCAT-QGZVFWFLSA-N 1 2 341.386 2.286 20 30 EEEDLO Cc1cc([N-][NH+]=Cc2ccccc2N2CCO[C@@H](C)C2)nc(N)[nH+]1 ZINC000872420134 1198174795 /nfs/dbraw/zinc/17/47/95/1198174795.db2.gz KMWOQADUUHWORW-ZDUSSCGKSA-N 1 2 326.404 2.038 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccnn2[C@H]2CCCCO2)C1=O ZINC001273394036 1198479310 /nfs/dbraw/zinc/47/93/10/1198479310.db2.gz FPZNMERELPHTPV-MJGOQNOKSA-N 1 2 344.459 2.335 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2ccnn2[C@H]2CCCCO2)C1=O ZINC001273394036 1198479312 /nfs/dbraw/zinc/47/93/12/1198479312.db2.gz FPZNMERELPHTPV-MJGOQNOKSA-N 1 2 344.459 2.335 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(OC)ns2)C1 ZINC001132002057 1199188551 /nfs/dbraw/zinc/18/85/51/1199188551.db2.gz GMKDFAUYRNZUEG-UONOGXRCSA-N 1 2 335.473 2.424 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(OC)ns2)C1 ZINC001132002057 1199188552 /nfs/dbraw/zinc/18/85/52/1199188552.db2.gz GMKDFAUYRNZUEG-UONOGXRCSA-N 1 2 335.473 2.424 20 30 EEEDLO Cc1cc(C[N@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)nn1C ZINC001132034798 1199220029 /nfs/dbraw/zinc/22/00/29/1199220029.db2.gz VLBUUTMOVDVRMU-GDBMZVCRSA-N 1 2 330.476 2.247 20 30 EEEDLO Cc1cc(C[N@@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)nn1C ZINC001132034798 1199220032 /nfs/dbraw/zinc/22/00/32/1199220032.db2.gz VLBUUTMOVDVRMU-GDBMZVCRSA-N 1 2 330.476 2.247 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1CC(=O)NCC(C)(C)C ZINC001132037926 1199223049 /nfs/dbraw/zinc/22/30/49/1199223049.db2.gz KVFTYIQPQRUJRG-JKSUJKDBSA-N 1 2 349.519 2.167 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1CC(=O)NCC(C)(C)C ZINC001132037926 1199223053 /nfs/dbraw/zinc/22/30/53/1199223053.db2.gz KVFTYIQPQRUJRG-JKSUJKDBSA-N 1 2 349.519 2.167 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(C)cc1C ZINC001018258667 1224535444 /nfs/dbraw/zinc/53/54/44/1224535444.db2.gz KJJAAWSFTPLMIQ-HDICACEKSA-N 1 2 326.440 2.381 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(C)cc1C ZINC001018258667 1224535446 /nfs/dbraw/zinc/53/54/46/1224535446.db2.gz KJJAAWSFTPLMIQ-HDICACEKSA-N 1 2 326.440 2.381 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cnnn2C)C1 ZINC001132076447 1199268652 /nfs/dbraw/zinc/26/86/52/1199268652.db2.gz AGPNJVATKBOYCO-YPMHNXCESA-N 1 2 339.871 2.063 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cnnn2C)C1 ZINC001132076447 1199268657 /nfs/dbraw/zinc/26/86/57/1199268657.db2.gz AGPNJVATKBOYCO-YPMHNXCESA-N 1 2 339.871 2.063 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)NCC(C)C)C2)CCC1 ZINC001132281427 1199515149 /nfs/dbraw/zinc/51/51/49/1199515149.db2.gz BVECNNGOSGEMQD-IRXDYDNUSA-N 1 2 349.519 2.474 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)NCC(C)C)C2)CCC1 ZINC001132281427 1199515152 /nfs/dbraw/zinc/51/51/52/1199515152.db2.gz BVECNNGOSGEMQD-IRXDYDNUSA-N 1 2 349.519 2.474 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=O)NCC(C)C)C2)C1 ZINC001132288834 1199542012 /nfs/dbraw/zinc/54/20/12/1199542012.db2.gz XNHUVRYTGSBETH-HZPDHXFCSA-N 1 2 335.492 2.084 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=O)NCC(C)C)C2)C1 ZINC001132288834 1199542015 /nfs/dbraw/zinc/54/20/15/1199542015.db2.gz XNHUVRYTGSBETH-HZPDHXFCSA-N 1 2 335.492 2.084 20 30 EEEDLO C#CCNC(=O)C[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000126040378 1199673152 /nfs/dbraw/zinc/67/31/52/1199673152.db2.gz KIFLKNSIUXXALS-IBGZPJMESA-N 1 2 332.407 2.002 20 30 EEEDLO CC(=[NH+]Nc1ccc(S(C)(=O)=O)cc1)c1cc([N+](=O)[O-])ccc1N ZINC000814802429 1199738267 /nfs/dbraw/zinc/73/82/67/1199738267.db2.gz HFTRGQASIYVASC-UHFFFAOYSA-N 1 2 348.384 2.417 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ncc(F)cc1F ZINC001014950869 1224572471 /nfs/dbraw/zinc/57/24/71/1224572471.db2.gz KNPHVHIKOOTQSD-INIZCTEOSA-N 1 2 341.361 2.216 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ncc(F)cc1F ZINC001014950869 1224572475 /nfs/dbraw/zinc/57/24/75/1224572475.db2.gz KNPHVHIKOOTQSD-INIZCTEOSA-N 1 2 341.361 2.216 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cncc(F)c2)C1 ZINC001132529430 1199826204 /nfs/dbraw/zinc/82/62/04/1199826204.db2.gz MPCYKEVUVVOVBN-RHSMWYFYSA-N 1 2 335.423 2.283 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cncc(F)c2)C1 ZINC001132529430 1199826206 /nfs/dbraw/zinc/82/62/06/1199826206.db2.gz MPCYKEVUVVOVBN-RHSMWYFYSA-N 1 2 335.423 2.283 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1ccc(OC)cc1 ZINC001018290756 1224573012 /nfs/dbraw/zinc/57/30/12/1224573012.db2.gz FKVFRSKHUKYZBQ-RYQLBKOJSA-N 1 2 326.440 2.182 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1ccc(OC)cc1 ZINC001018290756 1224573014 /nfs/dbraw/zinc/57/30/14/1224573014.db2.gz FKVFRSKHUKYZBQ-RYQLBKOJSA-N 1 2 326.440 2.182 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC001018293245 1224575303 /nfs/dbraw/zinc/57/53/03/1224575303.db2.gz SPWJFVCAWJUMLY-NXHRZFHOSA-N 1 2 326.440 2.497 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC001018293245 1224575310 /nfs/dbraw/zinc/57/53/10/1224575310.db2.gz SPWJFVCAWJUMLY-NXHRZFHOSA-N 1 2 326.440 2.497 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N(CC)CC)nc1 ZINC001018335367 1224620035 /nfs/dbraw/zinc/62/00/35/1224620035.db2.gz SSYKEZWVVTUDEB-HDICACEKSA-N 1 2 340.471 2.240 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N(CC)CC)nc1 ZINC001018335367 1224620040 /nfs/dbraw/zinc/62/00/40/1224620040.db2.gz SSYKEZWVVTUDEB-HDICACEKSA-N 1 2 340.471 2.240 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@H]1CN(c2cc[nH+]c(C)n2)CC1(C)C)OCC ZINC001114467894 1200933405 /nfs/dbraw/zinc/93/34/05/1200933405.db2.gz JVQQISBCRLKGGS-CVEARBPZSA-N 1 2 346.475 2.487 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C3(CC)CCC3)C2)CC1 ZINC001018370362 1224653288 /nfs/dbraw/zinc/65/32/88/1224653288.db2.gz QSVGPFCDVHQUTC-QGZVFWFLSA-N 1 2 347.503 2.136 20 30 EEEDLO CCCc1n[nH]cc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015046434 1224680974 /nfs/dbraw/zinc/68/09/74/1224680974.db2.gz AYFUGDGUTQVPSB-QGZVFWFLSA-N 1 2 336.439 2.218 20 30 EEEDLO CCCc1n[nH]cc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015046434 1224680978 /nfs/dbraw/zinc/68/09/78/1224680978.db2.gz AYFUGDGUTQVPSB-QGZVFWFLSA-N 1 2 336.439 2.218 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(OC)c(Cl)c2O)C1=O ZINC001274657170 1205119538 /nfs/dbraw/zinc/11/95/38/1205119538.db2.gz UWGYAUAWCAMDIR-SFHVURJKSA-N 1 2 348.830 2.254 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(OC)c(Cl)c2O)C1=O ZINC001274657170 1205119539 /nfs/dbraw/zinc/11/95/39/1205119539.db2.gz UWGYAUAWCAMDIR-SFHVURJKSA-N 1 2 348.830 2.254 20 30 EEEDLO COCCOCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(Cl)cc1C#N)C2 ZINC001275525234 1205395510 /nfs/dbraw/zinc/39/55/10/1205395510.db2.gz GEWXPVSZBUYTTG-KDOFPFPSSA-N 1 2 349.862 2.338 20 30 EEEDLO COCCOCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(Cl)cc1C#N)C2 ZINC001275525234 1205395511 /nfs/dbraw/zinc/39/55/11/1205395511.db2.gz GEWXPVSZBUYTTG-KDOFPFPSSA-N 1 2 349.862 2.338 20 30 EEEDLO COCCOC[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1ccc(Cl)cc1C#N)C2 ZINC001275525234 1205395513 /nfs/dbraw/zinc/39/55/13/1205395513.db2.gz GEWXPVSZBUYTTG-KDOFPFPSSA-N 1 2 349.862 2.338 20 30 EEEDLO COCCOC[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1ccc(Cl)cc1C#N)C2 ZINC001275525234 1205395515 /nfs/dbraw/zinc/39/55/15/1205395515.db2.gz GEWXPVSZBUYTTG-KDOFPFPSSA-N 1 2 349.862 2.338 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@]12CCN(Cc1ncccn1)C2=O ZINC001275680040 1205481456 /nfs/dbraw/zinc/48/14/56/1205481456.db2.gz QEGNCZGGVYEAJU-HXUWFJFHSA-N 1 2 347.422 2.115 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@]12CCN(Cc1ncccn1)C2=O ZINC001275680040 1205481458 /nfs/dbraw/zinc/48/14/58/1205481458.db2.gz QEGNCZGGVYEAJU-HXUWFJFHSA-N 1 2 347.422 2.115 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(Cc4csc(Cl)n4)C3)C2)cc1C#N ZINC001275878528 1205573671 /nfs/dbraw/zinc/57/36/71/1205573671.db2.gz RKXDKDJZGHWNFX-UHFFFAOYSA-N 1 2 347.875 2.324 20 30 EEEDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1c[nH]c2ccc(C#N)cc12 ZINC001275949475 1205599210 /nfs/dbraw/zinc/59/92/10/1205599210.db2.gz FQUCHUOVNSCRAF-IYBDPMFKSA-N 1 2 337.427 2.416 20 30 EEEDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1c[nH]c2ccc(C#N)cc12 ZINC001275949475 1205599211 /nfs/dbraw/zinc/59/92/11/1205599211.db2.gz FQUCHUOVNSCRAF-IYBDPMFKSA-N 1 2 337.427 2.416 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]nc3c1CCCC3)C2 ZINC001095416004 1205714683 /nfs/dbraw/zinc/71/46/83/1205714683.db2.gz HXGXRAQWGGTZKH-DQYPLSBCSA-N 1 2 348.878 2.305 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]nc3c1CCCC3)C2 ZINC001095416004 1205714684 /nfs/dbraw/zinc/71/46/84/1205714684.db2.gz HXGXRAQWGGTZKH-DQYPLSBCSA-N 1 2 348.878 2.305 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001095440525 1205757814 /nfs/dbraw/zinc/75/78/14/1205757814.db2.gz NFYLZDJMWLKXFB-CYBMUJFWSA-N 1 2 342.447 2.051 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C)C1 ZINC001015210431 1224917845 /nfs/dbraw/zinc/91/78/45/1224917845.db2.gz WZBSVQLESMHNQF-LSDHHAIUSA-N 1 2 344.459 2.194 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C(C)(C)C)C2 ZINC001110901836 1206095076 /nfs/dbraw/zinc/09/50/76/1206095076.db2.gz APSDVMWMGIGHHJ-KFWWJZLASA-N 1 2 335.492 2.082 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C(C)(C)C)C2 ZINC001110901836 1206095080 /nfs/dbraw/zinc/09/50/80/1206095080.db2.gz APSDVMWMGIGHHJ-KFWWJZLASA-N 1 2 335.492 2.082 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)(C)C ZINC001110934864 1206315302 /nfs/dbraw/zinc/31/53/02/1206315302.db2.gz PNARVODBQSLPOL-VQHPVUNQSA-N 1 2 349.519 2.473 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)(C)C ZINC001110934864 1206315305 /nfs/dbraw/zinc/31/53/05/1206315305.db2.gz PNARVODBQSLPOL-VQHPVUNQSA-N 1 2 349.519 2.473 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)(C)C ZINC001110935126 1206315503 /nfs/dbraw/zinc/31/55/03/1206315503.db2.gz YVIUKIZHQRZUNW-VQHPVUNQSA-N 1 2 349.519 2.473 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)(C)C ZINC001110935126 1206315504 /nfs/dbraw/zinc/31/55/04/1206315504.db2.gz YVIUKIZHQRZUNW-VQHPVUNQSA-N 1 2 349.519 2.473 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC1(Nc2cc[nH+]c(C)n2)CCOCC1 ZINC001111000064 1206589501 /nfs/dbraw/zinc/58/95/01/1206589501.db2.gz VRTMXHLETBIXTD-KRWDZBQOSA-N 1 2 332.448 2.465 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1onc2c1CCCC2 ZINC001015263100 1225003065 /nfs/dbraw/zinc/00/30/65/1225003065.db2.gz KAJNJJXJRHOAFQ-KRWDZBQOSA-N 1 2 349.434 2.409 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1onc2c1CCCC2 ZINC001015263100 1225003074 /nfs/dbraw/zinc/00/30/74/1225003074.db2.gz KAJNJJXJRHOAFQ-KRWDZBQOSA-N 1 2 349.434 2.409 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cnc(C)[nH]2)C[C@H]1C ZINC000947143463 1208020548 /nfs/dbraw/zinc/02/05/48/1208020548.db2.gz JSVRABZEIHQCEA-ZYHUDNBSSA-N 1 2 341.253 2.209 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cnc(C)[nH]2)C[C@H]1C ZINC000947143463 1208020551 /nfs/dbraw/zinc/02/05/51/1208020551.db2.gz JSVRABZEIHQCEA-ZYHUDNBSSA-N 1 2 341.253 2.209 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001111251830 1208456751 /nfs/dbraw/zinc/45/67/51/1208456751.db2.gz ULHSTJJWJNOEQI-KGLIPLIRSA-N 1 2 342.447 2.226 20 30 EEEDLO C[C@H]1C[C@H](NC(=O)c2[nH]ncc2F)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000947698431 1208678020 /nfs/dbraw/zinc/67/80/20/1208678020.db2.gz OTLFEEPGPVFXCP-SWLSCSKDSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@H]1C[C@H](NC(=O)c2[nH]ncc2F)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000947698431 1208678023 /nfs/dbraw/zinc/67/80/23/1208678023.db2.gz OTLFEEPGPVFXCP-SWLSCSKDSA-N 1 2 341.390 2.203 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnc(Cl)n1C ZINC000948935987 1209462695 /nfs/dbraw/zinc/46/26/95/1209462695.db2.gz KEQWAFYZFABJLI-HNNXBMFYSA-N 1 2 342.830 2.036 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnc(Cl)n1C ZINC000948935987 1209462696 /nfs/dbraw/zinc/46/26/96/1209462696.db2.gz KEQWAFYZFABJLI-HNNXBMFYSA-N 1 2 342.830 2.036 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnc2n1CCCC2 ZINC000948951304 1209470759 /nfs/dbraw/zinc/47/07/59/1209470759.db2.gz XJOIGGJYZQFLJS-GOSISDBHSA-N 1 2 348.450 2.182 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnc2n1CCCC2 ZINC000948951304 1209470760 /nfs/dbraw/zinc/47/07/60/1209470760.db2.gz XJOIGGJYZQFLJS-GOSISDBHSA-N 1 2 348.450 2.182 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnn(CC2CC2)c1 ZINC000948979664 1209486300 /nfs/dbraw/zinc/48/63/00/1209486300.db2.gz ZKONVMKSOVNXOG-HXUWFJFHSA-N 1 2 348.450 2.256 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnn(CC2CC2)c1 ZINC000948979664 1209486303 /nfs/dbraw/zinc/48/63/03/1209486303.db2.gz ZKONVMKSOVNXOG-HXUWFJFHSA-N 1 2 348.450 2.256 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cncnc1CC ZINC000948984983 1209489455 /nfs/dbraw/zinc/48/94/55/1209489455.db2.gz AWHJIGYIUYOXGU-LJQANCHMSA-N 1 2 334.423 2.001 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cncnc1CC ZINC000948984983 1209489457 /nfs/dbraw/zinc/48/94/57/1209489457.db2.gz AWHJIGYIUYOXGU-LJQANCHMSA-N 1 2 334.423 2.001 20 30 EEEDLO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)C(=O)C(C)(C)C)CCO2 ZINC000949051639 1209514609 /nfs/dbraw/zinc/51/46/09/1209514609.db2.gz KZWVTQHQTVQPHP-UHFFFAOYSA-N 1 2 342.867 2.048 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C(C)(C)c3cccs3)CC2)C1 ZINC000949433282 1209684371 /nfs/dbraw/zinc/68/43/71/1209684371.db2.gz MTPSWUJJTXBHBM-UHFFFAOYSA-N 1 2 346.496 2.352 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C(C)(C)c3cccs3)CC2)C1 ZINC000949433282 1209684373 /nfs/dbraw/zinc/68/43/73/1209684373.db2.gz MTPSWUJJTXBHBM-UHFFFAOYSA-N 1 2 346.496 2.352 20 30 EEEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2nnnn2C2CC2)cc1OC ZINC000191832878 1210386806 /nfs/dbraw/zinc/38/68/06/1210386806.db2.gz NKPOZJSJUAINMI-LBPRGKRZSA-N 1 2 329.404 2.432 20 30 EEEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](CCOC3CCC3)C2)cc1 ZINC000951117302 1210627016 /nfs/dbraw/zinc/62/70/16/1210627016.db2.gz LVYSZFXAAAOPCL-UHFFFAOYSA-N 1 2 326.440 2.383 20 30 EEEDLO COC(=O)c1sc2ncc(C(C)=NNC3=[NH+]C[C@@H](C)N3)cc2c1C ZINC000779792206 1210974344 /nfs/dbraw/zinc/97/43/44/1210974344.db2.gz QALOBVTWPJSCBK-MRVPVSSYSA-N 1 2 345.428 2.053 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC000952610297 1211503367 /nfs/dbraw/zinc/50/33/67/1211503367.db2.gz BOADIBPIOXRPNF-CVEARBPZSA-N 1 2 344.459 2.146 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@H](C)C2)C1 ZINC000955710518 1213284981 /nfs/dbraw/zinc/28/49/81/1213284981.db2.gz JEASYIDLWVRNHK-CABCVRRESA-N 1 2 344.459 2.194 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@H](C)C2)C1 ZINC000955710518 1213284984 /nfs/dbraw/zinc/28/49/84/1213284984.db2.gz JEASYIDLWVRNHK-CABCVRRESA-N 1 2 344.459 2.194 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C3(CC)CC3)CC2)C1 ZINC000956603568 1214124768 /nfs/dbraw/zinc/12/47/68/1214124768.db2.gz CFXDZTSLYKWUGB-MRXNPFEDSA-N 1 2 347.503 2.134 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C2)c1 ZINC001015678410 1225542244 /nfs/dbraw/zinc/54/22/44/1225542244.db2.gz HNZULPYALCOZIY-GOSISDBHSA-N 1 2 341.361 2.345 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C2)c1 ZINC001015678410 1225542253 /nfs/dbraw/zinc/54/22/53/1225542253.db2.gz HNZULPYALCOZIY-GOSISDBHSA-N 1 2 341.361 2.345 20 30 EEEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000092916886 1214693432 /nfs/dbraw/zinc/69/34/32/1214693432.db2.gz QHVVLGSWKMIVNX-IBGZPJMESA-N 1 2 338.411 2.180 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3nnc(CC)o3)C[C@H]21 ZINC001114689799 1214960849 /nfs/dbraw/zinc/96/08/49/1214960849.db2.gz QPBAWMXQMDLETI-BSXFFOKHSA-N 1 2 344.459 2.323 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3nnc(CC)o3)C[C@H]21 ZINC001114689799 1214960850 /nfs/dbraw/zinc/96/08/50/1214960850.db2.gz QPBAWMXQMDLETI-BSXFFOKHSA-N 1 2 344.459 2.323 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cn(C(C)(C)C)nn3)C[C@H]21 ZINC001114729697 1215136153 /nfs/dbraw/zinc/13/61/53/1215136153.db2.gz XLCVKJFNQPAIFV-KMANFZQXSA-N 1 2 345.491 2.182 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(C(C)(C)C)nn3)C[C@H]21 ZINC001114729697 1215136155 /nfs/dbraw/zinc/13/61/55/1215136155.db2.gz XLCVKJFNQPAIFV-KMANFZQXSA-N 1 2 345.491 2.182 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001015721734 1225594183 /nfs/dbraw/zinc/59/41/83/1225594183.db2.gz NYUHTBWWOVRUMS-ZNMIVQPWSA-N 1 2 335.835 2.017 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001015721734 1225594187 /nfs/dbraw/zinc/59/41/87/1225594187.db2.gz NYUHTBWWOVRUMS-ZNMIVQPWSA-N 1 2 335.835 2.017 20 30 EEEDLO CC(C)n1ccc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)n1 ZINC001015784358 1225665904 /nfs/dbraw/zinc/66/59/04/1225665904.db2.gz HHTNUVOSBJDGKE-SFHVURJKSA-N 1 2 336.439 2.320 20 30 EEEDLO CC(C)n1ccc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)n1 ZINC001015784358 1225665906 /nfs/dbraw/zinc/66/59/06/1225665906.db2.gz HHTNUVOSBJDGKE-SFHVURJKSA-N 1 2 336.439 2.320 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccns1 ZINC000960153365 1216391172 /nfs/dbraw/zinc/39/11/72/1216391172.db2.gz YUXNVNNPTBOIKV-FOLVSLTJSA-N 1 2 342.399 2.014 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccns1 ZINC000960153365 1216391177 /nfs/dbraw/zinc/39/11/77/1216391177.db2.gz YUXNVNNPTBOIKV-FOLVSLTJSA-N 1 2 342.399 2.014 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C1CCC1 ZINC000960520474 1216651217 /nfs/dbraw/zinc/65/12/17/1216651217.db2.gz PQNVVKDNRINJFH-ZZVYKPCYSA-N 1 2 327.266 2.378 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C1CCC1 ZINC000960520474 1216651220 /nfs/dbraw/zinc/65/12/20/1216651220.db2.gz PQNVVKDNRINJFH-ZZVYKPCYSA-N 1 2 327.266 2.378 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2coc(C)n2)c1 ZINC000960856765 1216945670 /nfs/dbraw/zinc/94/56/70/1216945670.db2.gz JAXXGFWWJXVWOL-SFHVURJKSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2coc(C)n2)c1 ZINC000960856765 1216945674 /nfs/dbraw/zinc/94/56/74/1216945674.db2.gz JAXXGFWWJXVWOL-SFHVURJKSA-N 1 2 338.411 2.096 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001066799926 1217279798 /nfs/dbraw/zinc/27/97/98/1217279798.db2.gz OHDLHIDLMVCQHN-BQFCYCMXSA-N 1 2 344.459 2.241 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cccn3)c2)C1 ZINC001015840301 1225731428 /nfs/dbraw/zinc/73/14/28/1225731428.db2.gz URDONKDLJQJUOD-OAHLLOKOSA-N 1 2 330.819 2.429 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cccn3)c2)C1 ZINC001015840301 1225731437 /nfs/dbraw/zinc/73/14/37/1225731437.db2.gz URDONKDLJQJUOD-OAHLLOKOSA-N 1 2 330.819 2.429 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC000963544419 1217859021 /nfs/dbraw/zinc/85/90/21/1217859021.db2.gz VZBSMVYFELSQSN-TXPKVOOTSA-N 1 2 344.459 2.077 20 30 EEEDLO CCn1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c1C ZINC001015891409 1225794900 /nfs/dbraw/zinc/79/49/00/1225794900.db2.gz JXEHTCJYSSRKFK-ZDUSSCGKSA-N 1 2 343.456 2.149 20 30 EEEDLO CCn1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c1C ZINC001015891409 1225794903 /nfs/dbraw/zinc/79/49/03/1225794903.db2.gz JXEHTCJYSSRKFK-ZDUSSCGKSA-N 1 2 343.456 2.149 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC000965153783 1218928236 /nfs/dbraw/zinc/92/82/36/1218928236.db2.gz KMMKUTJQOZMANZ-INIZCTEOSA-N 1 2 344.459 2.196 20 30 EEEDLO Cc1csc(C[N@H+]2CC[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000965850326 1219289197 /nfs/dbraw/zinc/28/91/97/1219289197.db2.gz BTJUNQZXWGZAMH-IAQYHMDHSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1csc(C[N@@H+]2CC[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000965850326 1219289201 /nfs/dbraw/zinc/28/92/01/1219289201.db2.gz BTJUNQZXWGZAMH-IAQYHMDHSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1csc(C[N@H+]2CC[C@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000965850328 1219289248 /nfs/dbraw/zinc/28/92/48/1219289248.db2.gz BTJUNQZXWGZAMH-XHDPSFHLSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1csc(C[N@@H+]2CC[C@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000965850328 1219289251 /nfs/dbraw/zinc/28/92/51/1219289251.db2.gz BTJUNQZXWGZAMH-XHDPSFHLSA-N 1 2 343.456 2.292 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000965850974 1219290669 /nfs/dbraw/zinc/29/06/69/1219290669.db2.gz HKWCEUWUECWTNZ-LIRRHRJNSA-N 1 2 347.422 2.398 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000965850974 1219290672 /nfs/dbraw/zinc/29/06/72/1219290672.db2.gz HKWCEUWUECWTNZ-LIRRHRJNSA-N 1 2 347.422 2.398 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@H](C)[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)oc1C ZINC000965851995 1219291816 /nfs/dbraw/zinc/29/18/16/1219291816.db2.gz QEADVLGRFQWEKT-ZBEGNZNMSA-N 1 2 341.415 2.132 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@H](C)[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)oc1C ZINC000965851995 1219291819 /nfs/dbraw/zinc/29/18/19/1219291819.db2.gz QEADVLGRFQWEKT-ZBEGNZNMSA-N 1 2 341.415 2.132 20 30 EEEDLO CC(C)n1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)cn1 ZINC001015980458 1225919120 /nfs/dbraw/zinc/91/91/20/1225919120.db2.gz DZZMWGRKLKRFHR-CQSZACIVSA-N 1 2 343.456 2.401 20 30 EEEDLO CC(C)n1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)cn1 ZINC001015980458 1225919123 /nfs/dbraw/zinc/91/91/23/1225919123.db2.gz DZZMWGRKLKRFHR-CQSZACIVSA-N 1 2 343.456 2.401 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3c([nH]2)CCOC3)C1 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/nfs/dbraw/zinc/97/00/79/1225970079.db2.gz SAASRAYGSNBXKP-OAHLLOKOSA-N 1 2 346.390 2.208 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000968090743 1221040137 /nfs/dbraw/zinc/04/01/37/1221040137.db2.gz GDRBBUGXHWYSIL-CLCXKQKWSA-N 1 2 344.459 2.175 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000968090743 1221040141 /nfs/dbraw/zinc/04/01/41/1221040141.db2.gz GDRBBUGXHWYSIL-CLCXKQKWSA-N 1 2 344.459 2.175 20 30 EEEDLO CC(C)(C)c1cnc(C[NH2+][C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC000968347143 1221225408 /nfs/dbraw/zinc/22/54/08/1221225408.db2.gz XZXSFTNFZFWZFI-CYBMUJFWSA-N 1 2 341.415 2.176 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1C ZINC000968487889 1221344473 /nfs/dbraw/zinc/34/44/73/1221344473.db2.gz HPFLBLGIGPTCMM-YJBOKZPZSA-N 1 2 337.423 2.475 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1C[N@H+](CC#Cc2ccccc2)CC[C@@H]1C ZINC000968487889 1221344476 /nfs/dbraw/zinc/34/44/76/1221344476.db2.gz HPFLBLGIGPTCMM-YJBOKZPZSA-N 1 2 337.423 2.475 20 30 EEEDLO Cn1cccc1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001006772567 1221933967 /nfs/dbraw/zinc/93/39/67/1221933967.db2.gz JWXRRXBKAXKYMY-GOSISDBHSA-N 1 2 339.414 2.410 20 30 EEEDLO Cn1cccc1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001006772567 1221933971 /nfs/dbraw/zinc/93/39/71/1221933971.db2.gz JWXRRXBKAXKYMY-GOSISDBHSA-N 1 2 339.414 2.410 20 30 EEEDLO Cc1ncncc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001006789598 1221944602 /nfs/dbraw/zinc/94/46/02/1221944602.db2.gz NARYIYVHSNIWBN-CYBMUJFWSA-N 1 2 341.440 2.113 20 30 EEEDLO Cc1ncncc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001006789598 1221944606 /nfs/dbraw/zinc/94/46/06/1221944606.db2.gz NARYIYVHSNIWBN-CYBMUJFWSA-N 1 2 341.440 2.113 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1CCOC1 ZINC001006881115 1221996656 /nfs/dbraw/zinc/99/66/56/1221996656.db2.gz MAXZTYYYSFKJAH-FUHWJXTLSA-N 1 2 346.858 2.309 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1CCOC1 ZINC001006881115 1221996660 /nfs/dbraw/zinc/99/66/60/1221996660.db2.gz MAXZTYYYSFKJAH-FUHWJXTLSA-N 1 2 346.858 2.309 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCCCO1 ZINC001007125504 1222103461 /nfs/dbraw/zinc/10/34/61/1222103461.db2.gz ZVLYCYRYSAMBQZ-RBUKOAKNSA-N 1 2 344.430 2.327 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCCCO1 ZINC001007125504 1222103464 /nfs/dbraw/zinc/10/34/64/1222103464.db2.gz ZVLYCYRYSAMBQZ-RBUKOAKNSA-N 1 2 344.430 2.327 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001007912129 1222498397 /nfs/dbraw/zinc/49/83/97/1222498397.db2.gz BINIZUKKWMSABB-HNNXBMFYSA-N 1 2 332.835 2.439 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001007912129 1222498399 /nfs/dbraw/zinc/49/83/99/1222498399.db2.gz BINIZUKKWMSABB-HNNXBMFYSA-N 1 2 332.835 2.439 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001009116217 1223145605 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20 30 EEEDLO O=C(Cc1ccon1)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001010403831 1223704623 /nfs/dbraw/zinc/70/46/23/1223704623.db2.gz WDMXSOJHJCIMIZ-KRWDZBQOSA-N 1 2 343.814 2.113 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(F)ccc3F)C2)c1 ZINC001010455714 1223727722 /nfs/dbraw/zinc/72/77/22/1223727722.db2.gz AGEPRRMFBOUABZ-CQSZACIVSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3cc(F)ccc3F)C2)c1 ZINC001010455714 1223727724 /nfs/dbraw/zinc/72/77/24/1223727724.db2.gz AGEPRRMFBOUABZ-CQSZACIVSA-N 1 2 330.338 2.169 20 30 EEEDLO C=C1CCC(C(=O)N2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001011193923 1224079613 /nfs/dbraw/zinc/07/96/13/1224079613.db2.gz YGRLXJZUHCJXAS-OAHLLOKOSA-N 1 2 344.459 2.006 20 30 EEEDLO C=C1CCC(C(=O)N2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001011193923 1224079617 /nfs/dbraw/zinc/07/96/17/1224079617.db2.gz YGRLXJZUHCJXAS-OAHLLOKOSA-N 1 2 344.459 2.006 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ncnn2CC)C1 ZINC001017179780 1227200054 /nfs/dbraw/zinc/20/00/54/1227200054.db2.gz OOPRHLXOULWNEI-HNNXBMFYSA-N 1 2 333.480 2.181 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ncnn2CC)C1 ZINC001017179780 1227200057 /nfs/dbraw/zinc/20/00/57/1227200057.db2.gz OOPRHLXOULWNEI-HNNXBMFYSA-N 1 2 333.480 2.181 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCCOC2)c1 ZINC001017407435 1227395751 /nfs/dbraw/zinc/39/57/51/1227395751.db2.gz DYBMUAXRDDJLER-QRVBRYPASA-N 1 2 339.439 2.160 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCCOC2)c1 ZINC001017407435 1227395752 /nfs/dbraw/zinc/39/57/52/1227395752.db2.gz DYBMUAXRDDJLER-QRVBRYPASA-N 1 2 339.439 2.160 20 30 EEEDLO Cc1ccncc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c[nH]1 ZINC001017451316 1227431194 /nfs/dbraw/zinc/43/11/94/1227431194.db2.gz LLWSDTMUQFQYQW-CALCHBBNSA-N 1 2 335.411 2.079 20 30 EEEDLO Cc1ccncc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c[nH]1 ZINC001017451316 1227431195 /nfs/dbraw/zinc/43/11/95/1227431195.db2.gz LLWSDTMUQFQYQW-CALCHBBNSA-N 1 2 335.411 2.079 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nc2onc(C)c21 ZINC001017782148 1227727806 /nfs/dbraw/zinc/72/78/06/1227727806.db2.gz UKJZVABMURZZFK-GASCZTMLSA-N 1 2 338.411 2.152 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)nc2onc(C)c21 ZINC001017782148 1227727816 /nfs/dbraw/zinc/72/78/16/1227727816.db2.gz UKJZVABMURZZFK-GASCZTMLSA-N 1 2 338.411 2.152 20 30 EEEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC001017840309 1227784613 /nfs/dbraw/zinc/78/46/13/1227784613.db2.gz CFKMKOJBPCSKAX-SIXLDLHFSA-N 1 2 328.460 2.327 20 30 EEEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC001017840309 1227784616 /nfs/dbraw/zinc/78/46/16/1227784616.db2.gz CFKMKOJBPCSKAX-SIXLDLHFSA-N 1 2 328.460 2.327 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3cnsn3)C2)cc1 ZINC001019053935 1228678966 /nfs/dbraw/zinc/67/89/66/1228678966.db2.gz PQRNRSRPMAKXMS-AWEZNQCLSA-N 1 2 344.440 2.107 20 30 EEEDLO Cc1ccc(F)c(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)c1 ZINC001038172037 1229675793 /nfs/dbraw/zinc/67/57/93/1229675793.db2.gz FDRSVURZUHZIHB-HNNXBMFYSA-N 1 2 326.375 2.338 20 30 EEEDLO Cc1ccc(F)c(C[N@H+]2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)c1 ZINC001038172037 1229675795 /nfs/dbraw/zinc/67/57/95/1229675795.db2.gz FDRSVURZUHZIHB-HNNXBMFYSA-N 1 2 326.375 2.338 20 30 EEEDLO Cc1ccc(F)c(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)c1 ZINC001038172040 1229676145 /nfs/dbraw/zinc/67/61/45/1229676145.db2.gz FDRSVURZUHZIHB-OAHLLOKOSA-N 1 2 326.375 2.338 20 30 EEEDLO Cc1ccc(F)c(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)c1 ZINC001038172040 1229676147 /nfs/dbraw/zinc/67/61/47/1229676147.db2.gz FDRSVURZUHZIHB-OAHLLOKOSA-N 1 2 326.375 2.338 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C1=CCOCC1 ZINC001038183034 1229679789 /nfs/dbraw/zinc/67/97/89/1229679789.db2.gz FRUOZOWHGQXBKI-SFHVURJKSA-N 1 2 344.842 2.229 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C1=CCOCC1 ZINC001038183034 1229679790 /nfs/dbraw/zinc/67/97/90/1229679790.db2.gz FRUOZOWHGQXBKI-SFHVURJKSA-N 1 2 344.842 2.229 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CCCOCC1 ZINC001038219626 1229692693 /nfs/dbraw/zinc/69/26/93/1229692693.db2.gz WNPRKXXJVGHHFX-MOPGFXCFSA-N 1 2 326.440 2.045 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CCCOCC1 ZINC001038219626 1229692694 /nfs/dbraw/zinc/69/26/94/1229692694.db2.gz WNPRKXXJVGHHFX-MOPGFXCFSA-N 1 2 326.440 2.045 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc3cccn3cn2)cc1 ZINC001038394335 1229788758 /nfs/dbraw/zinc/78/87/58/1229788758.db2.gz PLBFMXIELSXFIS-SFHVURJKSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc3cccn3cn2)cc1 ZINC001038394335 1229788761 /nfs/dbraw/zinc/78/87/61/1229788761.db2.gz PLBFMXIELSXFIS-SFHVURJKSA-N 1 2 345.406 2.210 20 30 EEEDLO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001038595044 1229933169 /nfs/dbraw/zinc/93/31/69/1229933169.db2.gz ZTXFZUPTVLKZNT-MRXNPFEDSA-N 1 2 325.416 2.242 20 30 EEEDLO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001038595044 1229933171 /nfs/dbraw/zinc/93/31/71/1229933171.db2.gz ZTXFZUPTVLKZNT-MRXNPFEDSA-N 1 2 325.416 2.242 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC(=O)N2CCC(C)CC2)CC1 ZINC001038662705 1229958965 /nfs/dbraw/zinc/95/89/65/1229958965.db2.gz UFIRDCAMVPELBG-SFHVURJKSA-N 1 2 347.503 2.182 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC(=O)N2CCC(C)CC2)CC1 ZINC001038662705 1229958967 /nfs/dbraw/zinc/95/89/67/1229958967.db2.gz UFIRDCAMVPELBG-SFHVURJKSA-N 1 2 347.503 2.182 20 30 EEEDLO CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001038715840 1229993204 /nfs/dbraw/zinc/99/32/04/1229993204.db2.gz INPOFTUDOURIGL-HYVNUMGLSA-N 1 2 327.428 2.303 20 30 EEEDLO CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001038715840 1229993206 /nfs/dbraw/zinc/99/32/06/1229993206.db2.gz INPOFTUDOURIGL-HYVNUMGLSA-N 1 2 327.428 2.303 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(F)c1 ZINC001038799677 1230065323 /nfs/dbraw/zinc/06/53/23/1230065323.db2.gz XNUDACKZIQDONC-SQNIBIBYSA-N 1 2 332.419 2.497 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(F)c1 ZINC001038799677 1230065325 /nfs/dbraw/zinc/06/53/25/1230065325.db2.gz XNUDACKZIQDONC-SQNIBIBYSA-N 1 2 332.419 2.497 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1oc(CC)nc1C ZINC001038809322 1230072779 /nfs/dbraw/zinc/07/27/79/1230072779.db2.gz ZXVDRZWBIGNFFE-MPGHIAIKSA-N 1 2 347.459 2.217 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1oc(CC)nc1C ZINC001038809322 1230072782 /nfs/dbraw/zinc/07/27/82/1230072782.db2.gz ZXVDRZWBIGNFFE-MPGHIAIKSA-N 1 2 347.459 2.217 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2c[nH]nc2C2CC2)c1 ZINC001038868568 1230122377 /nfs/dbraw/zinc/12/23/77/1230122377.db2.gz ZMKUUXYDXOLSBV-INIZCTEOSA-N 1 2 335.411 2.163 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2c[nH]nc2C2CC2)c1 ZINC001038868568 1230122379 /nfs/dbraw/zinc/12/23/79/1230122379.db2.gz ZMKUUXYDXOLSBV-INIZCTEOSA-N 1 2 335.411 2.163 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1CCN(CC)C1=O ZINC001039895953 1230894672 /nfs/dbraw/zinc/89/46/72/1230894672.db2.gz AYQLLGHLIMRDMP-AXVVYFOYSA-N 1 2 347.503 2.275 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1CCN(CC)C1=O ZINC001039895953 1230894674 /nfs/dbraw/zinc/89/46/74/1230894674.db2.gz AYQLLGHLIMRDMP-AXVVYFOYSA-N 1 2 347.503 2.275 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3C[C@@H](F)CC)c1 ZINC001039905781 1230900501 /nfs/dbraw/zinc/90/05/01/1230900501.db2.gz VLSWNOMXBYZLJI-OKZBNKHCSA-N 1 2 329.419 2.490 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C[C@@H](F)CC)c1 ZINC001039905781 1230900504 /nfs/dbraw/zinc/90/05/04/1230900504.db2.gz VLSWNOMXBYZLJI-OKZBNKHCSA-N 1 2 329.419 2.490 20 30 EEEDLO Cc1nc(N[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C)ccc1C#N ZINC001040112416 1231029520 /nfs/dbraw/zinc/02/95/20/1231029520.db2.gz FSCGLAWYUJCNDU-ZFWWWQNUSA-N 1 2 338.415 2.019 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ncnn1C)C2 ZINC001040330430 1231173252 /nfs/dbraw/zinc/17/32/52/1231173252.db2.gz CNNNTKLMIVDBSU-IBGZPJMESA-N 1 2 345.491 2.232 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ncnn1C)C2 ZINC001040330430 1231173255 /nfs/dbraw/zinc/17/32/55/1231173255.db2.gz CNNNTKLMIVDBSU-IBGZPJMESA-N 1 2 345.491 2.232 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC3(C2)CC[NH+](Cc2nnc(C)[nH]2)CC3)C1 ZINC001040839910 1231384659 /nfs/dbraw/zinc/38/46/59/1231384659.db2.gz MBNABXZSGYPAKJ-UHFFFAOYSA-N 1 2 343.475 2.284 20 30 EEEDLO Cc1ncc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccccc4C#N)[C@H]3C2)[nH]1 ZINC001041971353 1231798484 /nfs/dbraw/zinc/79/84/84/1231798484.db2.gz CONIJPRCLWWZMA-BEFAXECRSA-N 1 2 349.438 2.326 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(OCC)no3)C[C@@H]21 ZINC001042155953 1231923924 /nfs/dbraw/zinc/92/39/24/1231923924.db2.gz FPJXUHBANCRQST-OLZOCXBDSA-N 1 2 339.823 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(OCC)no3)C[C@@H]21 ZINC001042155953 1231923928 /nfs/dbraw/zinc/92/39/28/1231923928.db2.gz FPJXUHBANCRQST-OLZOCXBDSA-N 1 2 339.823 2.362 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](Cc4ccon4)[C@H]3C2)cc1 ZINC001042177905 1231938339 /nfs/dbraw/zinc/93/83/39/1231938339.db2.gz ACSMHTDJFNGTEZ-LPHOPBHVSA-N 1 2 335.407 2.393 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4ccon4)[C@H]3C2)cc1 ZINC001042177905 1231938342 /nfs/dbraw/zinc/93/83/42/1231938342.db2.gz ACSMHTDJFNGTEZ-LPHOPBHVSA-N 1 2 335.407 2.393 20 30 EEEDLO COc1cccc(C[NH+]2CC(N(C)C(=O)c3cc(C#N)c[nH]3)C2)c1C ZINC001042590030 1232113671 /nfs/dbraw/zinc/11/36/71/1232113671.db2.gz RJDKYGWSYWJSPN-UHFFFAOYSA-N 1 2 338.411 2.160 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](Cc2cccc(OC)c2)C1 ZINC001042742627 1232153847 /nfs/dbraw/zinc/15/38/47/1232153847.db2.gz XWERDMLKPNMPPB-MOPGFXCFSA-N 1 2 344.455 2.319 20 30 EEEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001043258288 1232340936 /nfs/dbraw/zinc/34/09/36/1232340936.db2.gz KCZVMDDSGURTOB-UHFFFAOYSA-N 1 2 325.412 2.251 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[NH2+]Cc2nnc(CC)o2)cc1 ZINC001045145457 1233536532 /nfs/dbraw/zinc/53/65/32/1233536532.db2.gz OCIJLAWCHJBEDL-INIZCTEOSA-N 1 2 338.411 2.008 20 30 EEEDLO Cc1nc(N2CCC[C@H](N(C)C(=O)c3c[nH]c(C#N)c3)CC2)cc[nH+]1 ZINC001067594404 1249291856 /nfs/dbraw/zinc/29/18/56/1249291856.db2.gz GOZAOAUYJJCFCP-INIZCTEOSA-N 1 2 338.415 2.116 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2c(o1)CCCC2 ZINC001045736384 1233938250 /nfs/dbraw/zinc/93/82/50/1233938250.db2.gz ZSPWPYFOLCCNNX-KFWWJZLASA-N 1 2 342.443 2.278 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2c(o1)CCCC2 ZINC001045736384 1233938254 /nfs/dbraw/zinc/93/82/54/1233938254.db2.gz ZSPWPYFOLCCNNX-KFWWJZLASA-N 1 2 342.443 2.278 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1[nH]nnc1C)C2 ZINC001045956854 1234227681 /nfs/dbraw/zinc/22/76/81/1234227681.db2.gz UYBSKWFGBCJJFE-MRXNPFEDSA-N 1 2 337.855 2.184 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1[nH]nnc1C)C2 ZINC001045956854 1234227685 /nfs/dbraw/zinc/22/76/85/1234227685.db2.gz UYBSKWFGBCJJFE-MRXNPFEDSA-N 1 2 337.855 2.184 20 30 EEEDLO Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c(Cl)c1 ZINC001046066115 1234398348 /nfs/dbraw/zinc/39/83/48/1234398348.db2.gz YPCLCXSLUBVONU-HNNXBMFYSA-N 1 2 346.862 2.004 20 30 EEEDLO C[C@@]1(NC(=O)c2ccon2)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046168631 1234509563 /nfs/dbraw/zinc/50/95/63/1234509563.db2.gz IDEAYJUSHYWGTG-QGZVFWFLSA-N 1 2 328.347 2.080 20 30 EEEDLO C[C@@]1(NC(=O)c2ccon2)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046168631 1234509564 /nfs/dbraw/zinc/50/95/64/1234509564.db2.gz IDEAYJUSHYWGTG-QGZVFWFLSA-N 1 2 328.347 2.080 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001046252697 1234596288 /nfs/dbraw/zinc/59/62/88/1234596288.db2.gz HDMKFSDGUPAOMX-YVEFUNNKSA-N 1 2 327.388 2.138 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001046252697 1234596292 /nfs/dbraw/zinc/59/62/92/1234596292.db2.gz HDMKFSDGUPAOMX-YVEFUNNKSA-N 1 2 327.388 2.138 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001046580438 1234960356 /nfs/dbraw/zinc/96/03/56/1234960356.db2.gz YVSVEUCYOZGOGN-GUYCJALGSA-N 1 2 336.867 2.173 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC001046580437 1234960292 /nfs/dbraw/zinc/96/02/92/1234960292.db2.gz YVSVEUCYOZGOGN-DYVFJYSZSA-N 1 2 336.867 2.173 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC001046580437 1234960295 /nfs/dbraw/zinc/96/02/95/1234960295.db2.gz YVSVEUCYOZGOGN-DYVFJYSZSA-N 1 2 336.867 2.173 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001046580438 1234960357 /nfs/dbraw/zinc/96/03/57/1234960357.db2.gz YVSVEUCYOZGOGN-GUYCJALGSA-N 1 2 336.867 2.173 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001046680565 1235068837 /nfs/dbraw/zinc/06/88/37/1235068837.db2.gz FHKRAQPEIKTCOH-INIZCTEOSA-N 1 2 336.823 2.006 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001046680565 1235068839 /nfs/dbraw/zinc/06/88/39/1235068839.db2.gz FHKRAQPEIKTCOH-INIZCTEOSA-N 1 2 336.823 2.006 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c(C)n[nH]c2C)C1 ZINC001046983016 1235390136 /nfs/dbraw/zinc/39/01/36/1235390136.db2.gz VQRARZHUSCEPOF-LBPRGKRZSA-N 1 2 346.809 2.466 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c(C)n[nH]c2C)C1 ZINC001046983016 1235390140 /nfs/dbraw/zinc/39/01/40/1235390140.db2.gz VQRARZHUSCEPOF-LBPRGKRZSA-N 1 2 346.809 2.466 20 30 EEEDLO CCn1cncc1/C=C1\CN(CC)C/C(=C\c2c[nH+]cn2CC)C1=O ZINC000901417837 1235755144 /nfs/dbraw/zinc/75/51/44/1235755144.db2.gz UYFPPNQMXFGJFP-BGPOSVGRSA-N 1 2 339.443 2.491 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096203295 1236154621 /nfs/dbraw/zinc/15/46/21/1236154621.db2.gz LXPMONUCBPJSHL-HZPDHXFCSA-N 1 2 344.459 2.032 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nc(CC(C)C)no2)C1 ZINC001054976086 1249501431 /nfs/dbraw/zinc/50/14/31/1249501431.db2.gz ITUPNBWBMICCQZ-KGLIPLIRSA-N 1 2 334.464 2.417 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001096220078 1236261026 /nfs/dbraw/zinc/26/10/26/1236261026.db2.gz CPWBHRFPEGMLDV-ZIAGYGMSSA-N 1 2 342.447 2.051 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H](CNc2cc[nH+]c(C)n2)[C@H](OCC)C1 ZINC001047911622 1236780952 /nfs/dbraw/zinc/78/09/52/1236780952.db2.gz DQZIRGCSODYPFY-HUUCEWRRSA-N 1 2 332.448 2.273 20 30 EEEDLO CCC[C@@H](C)C(=O)NCC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC001096280264 1237055444 /nfs/dbraw/zinc/05/54/44/1237055444.db2.gz YPBAPZSWWFLNPV-OAHLLOKOSA-N 1 2 346.450 2.372 20 30 EEEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCCO[C@@H](C)C#N)c2)n1 ZINC000802730325 1238101433 /nfs/dbraw/zinc/10/14/33/1238101433.db2.gz WDLPFBLURUYUGA-HNNXBMFYSA-N 1 2 341.415 2.323 20 30 EEEDLO CC#CCCCC(=O)N(C)CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001067832874 1249726792 /nfs/dbraw/zinc/72/67/92/1249726792.db2.gz WSGKIXXQVZMERD-UHFFFAOYSA-N 1 2 346.475 2.188 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(C5CC5)no4)C[C@@H]3C2)C1 ZINC001049046251 1239846866 /nfs/dbraw/zinc/84/68/66/1239846866.db2.gz MMXPWCFPOVSXLX-GASCZTMLSA-N 1 2 342.443 2.194 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](Cc4nc(C5CC5)no4)C[C@@H]3C2)C1 ZINC001049046251 1239846878 /nfs/dbraw/zinc/84/68/78/1239846878.db2.gz MMXPWCFPOVSXLX-GASCZTMLSA-N 1 2 342.443 2.194 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccns1 ZINC001098019752 1240647040 /nfs/dbraw/zinc/64/70/40/1240647040.db2.gz KYRZICTUBCICER-SOKJMZBUSA-N 1 2 347.484 2.346 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccns1 ZINC001098019752 1240647043 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ZINC001097809959 1244631384 /nfs/dbraw/zinc/63/13/84/1244631384.db2.gz OPPWZVZFTGMEIO-ZACQAIPSSA-N 1 2 326.444 2.363 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnc(C)cn2)C1 ZINC001097809959 1244631396 /nfs/dbraw/zinc/63/13/96/1244631396.db2.gz OPPWZVZFTGMEIO-ZACQAIPSSA-N 1 2 326.444 2.363 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3nnc(CC)n3C)CC2)C1 ZINC001052688868 1244757651 /nfs/dbraw/zinc/75/76/51/1244757651.db2.gz CFXYDTHKYGYPLG-HNNXBMFYSA-N 1 2 345.491 2.205 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3nnc(CC)n3C)CC2)C1 ZINC001052688868 1244757656 /nfs/dbraw/zinc/75/76/56/1244757656.db2.gz CFXYDTHKYGYPLG-HNNXBMFYSA-N 1 2 345.491 2.205 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(C)noc1C1CC1 ZINC001051030146 1244878754 /nfs/dbraw/zinc/87/87/54/1244878754.db2.gz WSKBRRAOTOBSKN-HNNXBMFYSA-N 1 2 333.432 2.257 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(C)noc1C1CC1 ZINC001051030146 1244878765 /nfs/dbraw/zinc/87/87/65/1244878765.db2.gz 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1246610440 /nfs/dbraw/zinc/61/04/40/1246610440.db2.gz DTJURDRCUYPDOV-GOEBONIOSA-N 1 2 346.475 2.104 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1coc(C3CC3)n1)O2 ZINC001053674506 1246627978 /nfs/dbraw/zinc/62/79/78/1246627978.db2.gz PWHSXPGLKPAHAX-AWEZNQCLSA-N 1 2 331.416 2.091 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nc(C3CC3)oc1C)O2 ZINC001053685455 1246646273 /nfs/dbraw/zinc/64/62/73/1246646273.db2.gz PZODMLDIXBRLSJ-AWEZNQCLSA-N 1 2 331.416 2.010 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn(C(C)C)c1C)O2 ZINC001053686930 1246649113 /nfs/dbraw/zinc/64/91/13/1246649113.db2.gz CSJROGWDOTXHPX-MRXNPFEDSA-N 1 2 346.475 2.312 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)O2 ZINC001053687171 1246649165 /nfs/dbraw/zinc/64/91/65/1246649165.db2.gz KFWXDAFEQORKJU-AWEZNQCLSA-N 1 2 346.475 2.247 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(Cl)cn1)O2 ZINC001053693227 1246663360 /nfs/dbraw/zinc/66/33/60/1246663360.db2.gz ZCILUNQUTRTQLM-CQSZACIVSA-N 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1252491181 /nfs/dbraw/zinc/49/11/81/1252491181.db2.gz KXNOWRZNSKVJAB-YPMHNXCESA-N 1 2 327.363 2.064 20 30 EEEDLO C=CCCC(=O)N1CCC(CC)(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001069239017 1252540827 /nfs/dbraw/zinc/54/08/27/1252540827.db2.gz XQGGQIJDPUXTGH-UHFFFAOYSA-N 1 2 332.448 2.196 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001069483759 1252932163 /nfs/dbraw/zinc/93/21/63/1252932163.db2.gz NDKWAVQZSKGUGD-CHWSQXEVSA-N 1 2 341.390 2.360 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001069728479 1253195787 /nfs/dbraw/zinc/19/57/87/1253195787.db2.gz GQBZZTMTNJKKMA-LJQANCHMSA-N 1 2 344.459 2.081 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3sccc3F)c2C1 ZINC001069859714 1253359282 /nfs/dbraw/zinc/35/92/82/1253359282.db2.gz JYIUEUUDCUGMKW-UHFFFAOYSA-N 1 2 334.420 2.405 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3sccc3F)c2C1 ZINC001069859714 1253359286 /nfs/dbraw/zinc/35/92/86/1253359286.db2.gz JYIUEUUDCUGMKW-UHFFFAOYSA-N 1 2 334.420 2.405 20 30 EEEDLO 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CC(C)c1noc([C@@H](C)[NH+]2CCC(CNC(=O)C#CC3CC3)CC2)n1 ZINC001223143357 1299991278 /nfs/dbraw/zinc/99/12/78/1299991278.db2.gz TZKJNEACZQHQIV-CQSZACIVSA-N 1 2 344.459 2.496 20 30 EEEDLO Cc1nc([C@H](C)[N@H+]2C[C@@H](CNC(=O)C#CC(C)(C)C)[C@H](C)C2)no1 ZINC001101955140 1300068591 /nfs/dbraw/zinc/06/85/91/1300068591.db2.gz UNHIYFJWRCFMIA-VNHYZAJKSA-N 1 2 332.448 2.173 20 30 EEEDLO Cc1nc([C@H](C)[N@@H+]2C[C@@H](CNC(=O)C#CC(C)(C)C)[C@H](C)C2)no1 ZINC001101955140 1300068601 /nfs/dbraw/zinc/06/86/01/1300068601.db2.gz UNHIYFJWRCFMIA-VNHYZAJKSA-N 1 2 332.448 2.173 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC1CC[NH+](Cc2nnc(C)n2CC)CC1 ZINC001224165366 1300460662 /nfs/dbraw/zinc/46/06/62/1300460662.db2.gz LEOJDRLDKXTBBY-HUUCEWRRSA-N 1 2 347.507 2.393 20 30 EEEDLO C=CCCC(=O)N(CCC)[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001102215319 1300579560 /nfs/dbraw/zinc/57/95/60/1300579560.db2.gz VPZKFFYUPBDZCH-CQSZACIVSA-N 1 2 342.447 2.147 20 30 EEEDLO Cc1cc(N2CC[C@H](CCNC(=O)[C@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001102302465 1300777570 /nfs/dbraw/zinc/77/75/70/1300777570.db2.gz VNNFIYMWOSZOLV-OCCSQVGLSA-N 1 2 327.432 2.155 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(c4cccc(F)c4F)C3)C2)cc1C#N ZINC001277032874 1300961245 /nfs/dbraw/zinc/96/12/45/1300961245.db2.gz OCFIOVZAJPSKLJ-UHFFFAOYSA-N 1 2 328.366 2.497 20 30 EEEDLO CCOCC(=O)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC001225910391 1301198471 /nfs/dbraw/zinc/19/84/71/1301198471.db2.gz FDZVJVVTKFOPMS-UHFFFAOYSA-N 1 2 334.847 2.309 20 30 EEEDLO C#Cc1cccc(NC(=O)C[NH+]2CCC(NC(=O)C=C(C)C)CC2)c1 ZINC001225927299 1301202389 /nfs/dbraw/zinc/20/23/89/1301202389.db2.gz ZAMFFCDVWZQGHZ-UHFFFAOYSA-N 1 2 339.439 2.153 20 30 EEEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(-c4csc(N)n4)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226026996 1301237226 /nfs/dbraw/zinc/23/72/26/1301237226.db2.gz SDPVKRUWJGZEIV-KNMAVKMESA-N 1 2 329.425 2.384 20 30 EEEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(-c4csc(N)n4)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226026996 1301237236 /nfs/dbraw/zinc/23/72/36/1301237236.db2.gz SDPVKRUWJGZEIV-KNMAVKMESA-N 1 2 329.425 2.384 20 30 EEEDLO C=CCOCC(=O)NC[C@@H](CC)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001102990408 1302035785 /nfs/dbraw/zinc/03/57/85/1302035785.db2.gz OJCOTBXSOKNUIW-CQSZACIVSA-N 1 2 332.448 2.173 20 30 EEEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(Cl)ncc3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228563162 1302316866 /nfs/dbraw/zinc/31/68/66/1302316866.db2.gz HBEVKHXHPNXQIZ-DWGKKXPTSA-N 1 2 345.624 2.489 20 30 EEEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(Cl)ncc3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228563162 1302316874 /nfs/dbraw/zinc/31/68/74/1302316874.db2.gz HBEVKHXHPNXQIZ-DWGKKXPTSA-N 1 2 345.624 2.489 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@@H](CC)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001103196403 1302441869 /nfs/dbraw/zinc/44/18/69/1302441869.db2.gz POQDQJHWLKEGPO-HUUCEWRRSA-N 1 2 332.448 2.253 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H](CC)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001103214685 1302498200 /nfs/dbraw/zinc/49/82/00/1302498200.db2.gz ZRENFVJHWMDNOG-CYBMUJFWSA-N 1 2 334.468 2.155 20 30 EEEDLO CC[C@H](CNC(=O)c1cccc2[nH+]ccn21)Nc1ncccc1C#N ZINC001103242414 1302568985 /nfs/dbraw/zinc/56/89/85/1302568985.db2.gz QPAXHZTVXMGEHC-CQSZACIVSA-N 1 2 334.383 2.221 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](CC)Nc1[nH+]cnc2c1cnn2C ZINC001103259542 1302604861 /nfs/dbraw/zinc/60/48/61/1302604861.db2.gz NDXCFEOUBNCZLH-GFCCVEGCSA-N 1 2 330.436 2.272 20 30 EEEDLO C=CCCOCC(=O)NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001230411777 1303202360 /nfs/dbraw/zinc/20/23/60/1303202360.db2.gz SHGRYHQXMLSJKN-UHFFFAOYSA-N 1 2 343.880 2.470 20 30 EEEDLO C=CCC1(C(=O)NC2CC[NH+](Cc3cn(C)nn3)CC2)CCCC1 ZINC001230475269 1303218826 /nfs/dbraw/zinc/21/88/26/1303218826.db2.gz CVNZFVCNCRPCRY-UHFFFAOYSA-N 1 2 331.464 2.032 20 30 EEEDLO CCCn1ncc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)NC2(C#N)CCC2)c1C ZINC001277461799 1303374869 /nfs/dbraw/zinc/37/48/69/1303374869.db2.gz AZBVBASBUHTICE-APWZRJJASA-N 1 2 341.459 2.128 20 30 EEEDLO CCCn1ncc(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)NC2(C#N)CCC2)c1C ZINC001277461799 1303374876 /nfs/dbraw/zinc/37/48/76/1303374876.db2.gz AZBVBASBUHTICE-APWZRJJASA-N 1 2 341.459 2.128 20 30 EEEDLO C[C@H](CNC(=O)c1cccc2[nH+]ccn21)CNc1ccc(C#N)nc1 ZINC001104138044 1303592724 /nfs/dbraw/zinc/59/27/24/1303592724.db2.gz IAYQVTLBZCREAQ-ZDUSSCGKSA-N 1 2 334.383 2.079 20 30 EEEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCN(c2ccccc2)C1=O ZINC001231178907 1303668206 /nfs/dbraw/zinc/66/82/06/1303668206.db2.gz ONYMLWYOAIKISG-ROUUACIJSA-N 1 2 341.455 2.291 20 30 EEEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCN(c2ccccc2)C1=O ZINC001231178907 1303668210 /nfs/dbraw/zinc/66/82/10/1303668210.db2.gz ONYMLWYOAIKISG-ROUUACIJSA-N 1 2 341.455 2.291 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)CCC ZINC001231312017 1303732061 /nfs/dbraw/zinc/73/20/61/1303732061.db2.gz NHNWYGAHCSOUKA-SJORKVTESA-N 1 2 337.508 2.380 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)CCC ZINC001231312017 1303732068 /nfs/dbraw/zinc/73/20/68/1303732068.db2.gz NHNWYGAHCSOUKA-SJORKVTESA-N 1 2 337.508 2.380 20 30 EEEDLO CC/C=C\CC[N@@H+]1Cc2ccnn2CC[C@H]1C(=O)NC1(C#N)CCC1 ZINC001277526698 1303824379 /nfs/dbraw/zinc/82/43/79/1303824379.db2.gz LGAXGLLTKCLAIG-LIMHQNJXSA-N 1 2 341.459 2.376 20 30 EEEDLO CC/C=C\CC[N@H+]1Cc2ccnn2CC[C@H]1C(=O)NC1(C#N)CCC1 ZINC001277526698 1303824383 /nfs/dbraw/zinc/82/43/83/1303824383.db2.gz LGAXGLLTKCLAIG-LIMHQNJXSA-N 1 2 341.459 2.376 20 30 EEEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(CC)o1)C2 ZINC001111763764 1303854160 /nfs/dbraw/zinc/85/41/60/1303854160.db2.gz GRATWYGSGKVTAU-KSSFIOAISA-N 1 2 332.448 2.459 20 30 EEEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(CC)o1)C2 ZINC001111763764 1303854164 /nfs/dbraw/zinc/85/41/64/1303854164.db2.gz GRATWYGSGKVTAU-KSSFIOAISA-N 1 2 332.448 2.459 20 30 EEEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1nncn1C)C2 ZINC001111846237 1303988409 /nfs/dbraw/zinc/98/84/09/1303988409.db2.gz XAHKXPIJCGUGIV-BXWFABGCSA-N 1 2 343.475 2.040 20 30 EEEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1nncn1C)C2 ZINC001111846237 1303988413 /nfs/dbraw/zinc/98/84/13/1303988413.db2.gz XAHKXPIJCGUGIV-BXWFABGCSA-N 1 2 343.475 2.040 20 30 EEEDLO Cn1c2ccccc2n(C2CC[NH+](Cc3cc(C#N)ccn3)CC2)c1=O ZINC001232479772 1304142336 /nfs/dbraw/zinc/14/23/36/1304142336.db2.gz XPIIDSCCDQGHKQ-UHFFFAOYSA-N 1 2 347.422 2.444 20 30 EEEDLO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@H+](Cc1cc(C#N)ccc1O)C2 ZINC001232674475 1304210170 /nfs/dbraw/zinc/21/01/70/1304210170.db2.gz ABIYMWBLQVTYCL-KSSFIOAISA-N 1 2 329.400 2.363 20 30 EEEDLO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@@H+](Cc1cc(C#N)ccc1O)C2 ZINC001232674475 1304210178 /nfs/dbraw/zinc/21/01/78/1304210178.db2.gz ABIYMWBLQVTYCL-KSSFIOAISA-N 1 2 329.400 2.363 20 30 EEEDLO CCOC[C@H]1C[N@H+](Cc2cc(C#N)ccc2O)Cc2cnn(C)c21 ZINC001232677766 1304213365 /nfs/dbraw/zinc/21/33/65/1304213365.db2.gz PBQXNBFANBOJIG-MRXNPFEDSA-N 1 2 326.400 2.133 20 30 EEEDLO CCOC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2O)Cc2cnn(C)c21 ZINC001232677766 1304213371 /nfs/dbraw/zinc/21/33/71/1304213371.db2.gz PBQXNBFANBOJIG-MRXNPFEDSA-N 1 2 326.400 2.133 20 30 EEEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(O)c(OCC3CC3)c2)CC1 ZINC001233230856 1304400994 /nfs/dbraw/zinc/40/09/94/1304400994.db2.gz MGKFZXUYFFYJOV-UHFFFAOYSA-N 1 2 344.411 2.460 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N[C@@H](C)CCC ZINC001233800764 1304597562 /nfs/dbraw/zinc/59/75/62/1304597562.db2.gz JZMQDIDVYKBYFR-DLBZAZTESA-N 1 2 335.492 2.018 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N[C@@H](C)CCC ZINC001233800764 1304597565 /nfs/dbraw/zinc/59/75/65/1304597565.db2.gz JZMQDIDVYKBYFR-DLBZAZTESA-N 1 2 335.492 2.018 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCNC(=O)CC[C@@H]1CCCO1 ZINC001234224876 1304808812 /nfs/dbraw/zinc/80/88/12/1304808812.db2.gz LJECZPMPMBPFJC-ZDUSSCGKSA-N 1 2 333.270 2.292 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)CC[C@@H]1CCCO1 ZINC001234224876 1304808821 /nfs/dbraw/zinc/80/88/21/1304808821.db2.gz LJECZPMPMBPFJC-ZDUSSCGKSA-N 1 2 333.270 2.292 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2occc2c1 ZINC001234422529 1304917342 /nfs/dbraw/zinc/91/73/42/1304917342.db2.gz AADNBTFRRFUBTM-QGZVFWFLSA-N 1 2 326.396 2.229 20 30 EEEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2occc2c1 ZINC001234422529 1304917349 /nfs/dbraw/zinc/91/73/49/1304917349.db2.gz AADNBTFRRFUBTM-QGZVFWFLSA-N 1 2 326.396 2.229 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1nccnc1C)OCC ZINC001234641038 1304997392 /nfs/dbraw/zinc/99/73/92/1304997392.db2.gz CFNHBDQWNTYGJP-FUHWJXTLSA-N 1 2 346.475 2.189 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1nccnc1C)OCC ZINC001234641038 1304997394 /nfs/dbraw/zinc/99/73/94/1304997394.db2.gz CFNHBDQWNTYGJP-FUHWJXTLSA-N 1 2 346.475 2.189 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(c2ccc(F)cc2)CC1 ZINC001235088340 1305111223 /nfs/dbraw/zinc/11/12/23/1305111223.db2.gz FXNIURDVXIPYLR-GOSISDBHSA-N 1 2 344.430 2.040 20 30 EEEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(c2ccc(F)cc2)CC1 ZINC001235088340 1305111225 /nfs/dbraw/zinc/11/12/25/1305111225.db2.gz FXNIURDVXIPYLR-GOSISDBHSA-N 1 2 344.430 2.040 20 30 EEEDLO C=CCCC1(C(=O)NCCOCCCNc2cc[nH+]c(C)n2)CC1 ZINC001115442074 1305122479 /nfs/dbraw/zinc/12/24/79/1305122479.db2.gz CJENAPPKYQSUKR-UHFFFAOYSA-N 1 2 332.448 2.466 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2CCn2cc(Cl)cn2)CCC1 ZINC001235208872 1305149336 /nfs/dbraw/zinc/14/93/36/1305149336.db2.gz HMZUIDQQNIWTHL-MRXNPFEDSA-N 1 2 348.878 2.263 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2CCn2cc(Cl)cn2)CCC1 ZINC001235208872 1305149337 /nfs/dbraw/zinc/14/93/37/1305149337.db2.gz HMZUIDQQNIWTHL-MRXNPFEDSA-N 1 2 348.878 2.263 20 30 EEEDLO Cn1c(Cl)cnc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000799340904 1305231539 /nfs/dbraw/zinc/23/15/39/1305231539.db2.gz MRHSPOGVXCYECY-AWEZNQCLSA-N 1 2 343.818 2.230 20 30 EEEDLO Cc1ccnc(OC2CC[NH+](Cc3cn4cc(C#N)ccc4n3)CC2)n1 ZINC001237610102 1306001007 /nfs/dbraw/zinc/00/10/07/1306001007.db2.gz IFAUIYKBTGHNGE-UHFFFAOYSA-N 1 2 348.410 2.348 20 30 EEEDLO C=CC[C@H](CC)NC(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC001117719736 1306153061 /nfs/dbraw/zinc/15/30/61/1306153061.db2.gz UPIBWHDVSGIXEZ-KRWDZBQOSA-N 1 2 340.427 2.019 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)ccc1Cl ZINC001238194252 1306287039 /nfs/dbraw/zinc/28/70/39/1306287039.db2.gz LBUPXPYBDDXTMF-KRWDZBQOSA-N 1 2 347.846 2.425 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)ccc1Cl ZINC001238194252 1306287048 /nfs/dbraw/zinc/28/70/48/1306287048.db2.gz LBUPXPYBDDXTMF-KRWDZBQOSA-N 1 2 347.846 2.425 20 30 EEEDLO C[C@@H]1CN(C(=O)[C@@H]2CC23C[NH+](Cc2ccccc2C#N)C3)C[C@@H](C)O1 ZINC001278239535 1308894833 /nfs/dbraw/zinc/89/48/33/1308894833.db2.gz UFRVQMRPVDMACR-RKVPGOIHSA-N 1 2 339.439 2.016 20 30 EEEDLO CCCCCCCCCCS(=O)(=O)N1CC[NH2+][C@@H](COC)C1 ZINC001238986426 1309004040 /nfs/dbraw/zinc/00/40/40/1309004040.db2.gz PELAJLOIPIVSAH-MRXNPFEDSA-N 1 2 334.526 2.377 20 30 EEEDLO C#CCCCC(=O)NC1CC2(C1)CC([NH2+]Cc1noc(C3CC3)n1)C2 ZINC001121001607 1309875447 /nfs/dbraw/zinc/87/54/47/1309875447.db2.gz IEEZJWJTLBLKCA-UHFFFAOYSA-N 1 2 342.443 2.268 20 30 EEEDLO Cc1nc(-c2ccc(OCC[NH+]3CCOCC3)cc2F)cnc1C#N ZINC001244136431 1309913804 /nfs/dbraw/zinc/91/38/04/1309913804.db2.gz REBOXBOCTNQRDN-UHFFFAOYSA-N 1 2 342.374 2.174 20 30 EEEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1Nc1ccn(CC)n1 ZINC001122490874 1310309277 /nfs/dbraw/zinc/30/92/77/1310309277.db2.gz XBWGAYJHDWXICV-UHFFFAOYSA-N 1 2 326.408 2.139 20 30 EEEDLO C=CCS(=O)(=O)NC1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC001259935406 1319746677 /nfs/dbraw/zinc/74/66/77/1319746677.db2.gz CLPYJRMCIWPERQ-UHFFFAOYSA-N 1 2 330.400 2.035 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NCCC1=CC[N@H+](Cc2cnon2)CC1)OCC ZINC001160292220 1320124939 /nfs/dbraw/zinc/12/49/39/1320124939.db2.gz MWAJNPLGIMPPFV-QGZVFWFLSA-N 1 2 348.447 2.079 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NCCC1=CC[N@@H+](Cc2cnon2)CC1)OCC ZINC001160292220 1320124941 /nfs/dbraw/zinc/12/49/41/1320124941.db2.gz MWAJNPLGIMPPFV-QGZVFWFLSA-N 1 2 348.447 2.079 20 30 EEEDLO C#CC1CC[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 ZINC000830330180 1314532680 /nfs/dbraw/zinc/53/26/80/1314532680.db2.gz SIWUFIBJURHPAM-UHFFFAOYSA-N 1 2 345.468 2.010 20 30 EEEDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1c[nH]c2c1cccc2C#N ZINC001139706121 1314762602 /nfs/dbraw/zinc/76/26/02/1314762602.db2.gz MBLIUVDIBRIOJW-RBVVOMGSSA-N 1 2 339.395 2.192 20 30 EEEDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1c[nH]c2c1cccc2C#N ZINC001139706121 1314762605 /nfs/dbraw/zinc/76/26/05/1314762605.db2.gz MBLIUVDIBRIOJW-RBVVOMGSSA-N 1 2 339.395 2.192 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc4c(c3)OCCO4)CC2)cc1 ZINC001139734143 1314763697 /nfs/dbraw/zinc/76/36/97/1314763697.db2.gz KUXLSMSANJSNGE-UHFFFAOYSA-N 1 2 336.395 2.047 20 30 EEEDLO C#Cc1cccc(CNC(=O)[C@H](C(CC)CC)[NH+]2CCOCC2)c1 ZINC000837105712 1315053622 /nfs/dbraw/zinc/05/36/22/1315053622.db2.gz RQNGYIMEIQFYBI-IBGZPJMESA-N 1 2 328.456 2.421 20 30 EEEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cs1 ZINC000839590361 1315218080 /nfs/dbraw/zinc/21/80/80/1315218080.db2.gz QDGPBXPVBZWDHL-UHFFFAOYSA-N 1 2 342.424 2.124 20 30 EEEDLO N#Cc1cccn(C[NH+]2CCC3(CC2)OCCc2ccccc23)c1=O ZINC000840154266 1315311452 /nfs/dbraw/zinc/31/14/52/1315311452.db2.gz SHJPHZNBWLWAOS-UHFFFAOYSA-N 1 2 335.407 2.241 20 30 EEEDLO C=CCCC(=O)NC[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC001149360968 1315952482 /nfs/dbraw/zinc/95/24/82/1315952482.db2.gz CPUYBHURXCEHNQ-KRWDZBQOSA-N 1 2 345.418 2.371 20 30 EEEDLO C=CCCC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC001149360968 1315952483 /nfs/dbraw/zinc/95/24/83/1315952483.db2.gz CPUYBHURXCEHNQ-KRWDZBQOSA-N 1 2 345.418 2.371 20 30 EEEDLO C#CCCCCC(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2ncc(C)o2)CCCO1 ZINC001149580001 1315993773 /nfs/dbraw/zinc/99/37/73/1315993773.db2.gz PLYWTXKSCYWSEZ-DLBZAZTESA-N 1 2 347.459 2.445 20 30 EEEDLO C#CCCCCC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2ncc(C)o2)CCCO1 ZINC001149580001 1315993775 /nfs/dbraw/zinc/99/37/75/1315993775.db2.gz PLYWTXKSCYWSEZ-DLBZAZTESA-N 1 2 347.459 2.445 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2cc(C)n(C)n2)CCCO1 ZINC001150247867 1316215821 /nfs/dbraw/zinc/21/58/21/1316215821.db2.gz QZYKILIAYPYBOU-IEBWSBKVSA-N 1 2 348.491 2.038 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)n(C)n2)CCCO1 ZINC001150247867 1316215826 /nfs/dbraw/zinc/21/58/26/1316215826.db2.gz QZYKILIAYPYBOU-IEBWSBKVSA-N 1 2 348.491 2.038 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C)c2cccnc2)C1 ZINC001150613092 1316317128 /nfs/dbraw/zinc/31/71/28/1316317128.db2.gz HNLKZUDPWYBUET-GOEBONIOSA-N 1 2 337.851 2.145 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C)c2cccnc2)C1 ZINC001150613092 1316317132 /nfs/dbraw/zinc/31/71/32/1316317132.db2.gz HNLKZUDPWYBUET-GOEBONIOSA-N 1 2 337.851 2.145 20 30 EEEDLO C=CCOC(=O)N[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001151971575 1316615306 /nfs/dbraw/zinc/61/53/06/1316615306.db2.gz JBSOZVNAYHAORN-ZDUSSCGKSA-N 1 2 328.372 2.080 20 30 EEEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)COC(C)C ZINC001152303686 1316655563 /nfs/dbraw/zinc/65/55/63/1316655563.db2.gz XXEVJNJYCVRIAZ-CQSZACIVSA-N 1 2 335.423 2.449 20 30 EEEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)COC(C)C ZINC001152303686 1316655564 /nfs/dbraw/zinc/65/55/64/1316655564.db2.gz XXEVJNJYCVRIAZ-CQSZACIVSA-N 1 2 335.423 2.449 20 30 EEEDLO C[C@H](NC(=O)c1nc2c(s1)C[N@H+](C)CC2)c1cccc(C#N)c1 ZINC001154222823 1316999590 /nfs/dbraw/zinc/99/95/90/1316999590.db2.gz MJBFZSIHDDGTJL-NSHDSACASA-N 1 2 326.425 2.494 20 30 EEEDLO C[C@H](NC(=O)c1nc2c(s1)C[N@@H+](C)CC2)c1cccc(C#N)c1 ZINC001154222823 1316999592 /nfs/dbraw/zinc/99/95/92/1316999592.db2.gz MJBFZSIHDDGTJL-NSHDSACASA-N 1 2 326.425 2.494 20 30 EEEDLO C#CCOC[C@H](O)CNc1cc2cc(Br)ccc2c[nH+]1 ZINC001251827362 1317505850 /nfs/dbraw/zinc/50/58/50/1317505850.db2.gz ZICKDYLXQPOQCK-CQSZACIVSA-N 1 2 335.201 2.420 20 30 EEEDLO C=CCOC[C@@H](O)C[NH2+][C@H](C(=O)OCc1ccccc1)[C@@H](C)CC ZINC001252487542 1317615472 /nfs/dbraw/zinc/61/54/72/1317615472.db2.gz VNQFKRWJDJNBPD-SZMVWBNQSA-N 1 2 335.444 2.298 20 30 EEEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1C[C@@H](O)CCCCC ZINC001253528554 1317876297 /nfs/dbraw/zinc/87/62/97/1317876297.db2.gz NZDNAHLXYAVSCH-RDJZCZTQSA-N 1 2 336.480 2.341 20 30 EEEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1C[C@@H](O)CCCCC ZINC001253528554 1317876304 /nfs/dbraw/zinc/87/63/04/1317876304.db2.gz NZDNAHLXYAVSCH-RDJZCZTQSA-N 1 2 336.480 2.341 20 30 EEEDLO CCOC[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)Cc2nnn(CC3CC3)c21 ZINC001254656771 1318155338 /nfs/dbraw/zinc/15/53/38/1318155338.db2.gz ADZCAMXFAXVULS-HRCADAONSA-N 1 2 329.448 2.316 20 30 EEEDLO CCOC[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)Cc2nnn(CC3CC3)c21 ZINC001254656771 1318155343 /nfs/dbraw/zinc/15/53/43/1318155343.db2.gz ADZCAMXFAXVULS-HRCADAONSA-N 1 2 329.448 2.316 20 30 EEEDLO Cc1cc(S(=O)(=O)NC2(C#N)CC[NH+](C)CC2)c(C)cc1Cl ZINC001256230567 1318683846 /nfs/dbraw/zinc/68/38/46/1318683846.db2.gz QQXXLTFKDHAGIN-UHFFFAOYSA-N 1 2 341.864 2.223 20 30 EEEDLO C=CCOCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC001157701327 1318805580 /nfs/dbraw/zinc/80/55/80/1318805580.db2.gz AVZPXPBKVNCUDA-MRXNPFEDSA-N 1 2 335.448 2.307 20 30 EEEDLO C=CCOCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC001157701327 1318805594 /nfs/dbraw/zinc/80/55/94/1318805594.db2.gz AVZPXPBKVNCUDA-MRXNPFEDSA-N 1 2 335.448 2.307 20 30 EEEDLO Cc1ccc(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c(C#N)c1 ZINC001278961198 1318842640 /nfs/dbraw/zinc/84/26/40/1318842640.db2.gz KYAFETLAFNJWJX-UHFFFAOYSA-N 1 2 345.450 2.395 20 30 EEEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cnnn1CC ZINC001158018574 1318972815 /nfs/dbraw/zinc/97/28/15/1318972815.db2.gz CXAQUECCOYVMLN-MRXNPFEDSA-N 1 2 333.480 2.467 20 30 EEEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cnnn1CC ZINC001158018574 1318972819 /nfs/dbraw/zinc/97/28/19/1318972819.db2.gz CXAQUECCOYVMLN-MRXNPFEDSA-N 1 2 333.480 2.467 20 30 EEEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncccn1 ZINC001158357885 1319198880 /nfs/dbraw/zinc/19/88/80/1319198880.db2.gz RRUCJFOYQLRVAK-QGZVFWFLSA-N 1 2 328.460 2.483 20 30 EEEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncccn1 ZINC001158357885 1319198885 /nfs/dbraw/zinc/19/88/85/1319198885.db2.gz RRUCJFOYQLRVAK-QGZVFWFLSA-N 1 2 328.460 2.483 20 30 EEEDLO Cc1ccnc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)c1C#N ZINC001159144925 1319639465 /nfs/dbraw/zinc/63/94/65/1319639465.db2.gz VVQRZPJBSLKLHJ-UHFFFAOYSA-N 1 2 336.399 2.130 20 30 EEEDLO C=C1CC(C)(C(=O)NCCC2=CC[N@H+](Cc3nccn3C)CC2)C1 ZINC001161177596 1320410411 /nfs/dbraw/zinc/41/04/11/1320410411.db2.gz BSKBZKOPWXQIIY-UHFFFAOYSA-N 1 2 328.460 2.415 20 30 EEEDLO C=C1CC(C)(C(=O)NCCC2=CC[N@@H+](Cc3nccn3C)CC2)C1 ZINC001161177596 1320410415 /nfs/dbraw/zinc/41/04/15/1320410415.db2.gz BSKBZKOPWXQIIY-UHFFFAOYSA-N 1 2 328.460 2.415 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCSCC)C1 ZINC001206280060 1323444733 /nfs/dbraw/zinc/44/47/33/1323444733.db2.gz DRSRJFJPLANQOF-ZYHUDNBSSA-N 1 2 335.311 2.475 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCSCC)C1 ZINC001206280060 1323444739 /nfs/dbraw/zinc/44/47/39/1323444739.db2.gz DRSRJFJPLANQOF-ZYHUDNBSSA-N 1 2 335.311 2.475 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCCCC)C1 ZINC001206689675 1323562907 /nfs/dbraw/zinc/56/29/07/1323562907.db2.gz HPNUSFJWQZNDEA-DGCLKSJQSA-N 1 2 333.270 2.148 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCCCC)C1 ZINC001206689675 1323562910 /nfs/dbraw/zinc/56/29/10/1323562910.db2.gz HPNUSFJWQZNDEA-DGCLKSJQSA-N 1 2 333.270 2.148 20 30 EEEDLO C=CCOCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nc(C(C)C)no2)C1 ZINC001207680481 1324086892 /nfs/dbraw/zinc/08/68/92/1324086892.db2.gz OPJIWAAETCOIQZ-KBPBESRZSA-N 1 2 336.436 2.037 20 30 EEEDLO C=CCOCCCC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001207758689 1324132053 /nfs/dbraw/zinc/13/20/53/1324132053.db2.gz FHOMCODCUMKROD-OAHLLOKOSA-N 1 2 348.447 2.010 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC2(C[C@H]2C(=O)NCCc2ccccn2)C1 ZINC001280288733 1324143544 /nfs/dbraw/zinc/14/35/44/1324143544.db2.gz VRHRXMHEOPAZIL-IBGZPJMESA-N 1 2 346.434 2.134 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1CCCc1ccc(C)o1 ZINC001207943192 1324222559 /nfs/dbraw/zinc/22/25/59/1324222559.db2.gz DKFZMDAOFRMZNN-QGZVFWFLSA-N 1 2 330.432 2.451 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1CCCc1ccc(C)o1 ZINC001207943192 1324222562 /nfs/dbraw/zinc/22/25/62/1324222562.db2.gz DKFZMDAOFRMZNN-QGZVFWFLSA-N 1 2 330.432 2.451 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001208010559 1324262781 /nfs/dbraw/zinc/26/27/81/1324262781.db2.gz MFVUGVFQFXDPBP-CQSZACIVSA-N 1 2 330.432 2.077 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)cc1 ZINC001316604471 1324303999 /nfs/dbraw/zinc/30/39/99/1324303999.db2.gz GTIBEFMVELVYFS-CZUORRHYSA-N 1 2 349.862 2.177 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)cc1 ZINC001316604471 1324304007 /nfs/dbraw/zinc/30/40/07/1324304007.db2.gz GTIBEFMVELVYFS-CZUORRHYSA-N 1 2 349.862 2.177 20 30 EEEDLO C#CCC1(C(=O)N2CCC[C@@H]([NH2+][C@@H](C)c3nc(CC)no3)C2)CCC1 ZINC001208321901 1324424664 /nfs/dbraw/zinc/42/46/64/1324424664.db2.gz NJEQIVIDYKKQSO-LSDHHAIUSA-N 1 2 344.459 2.467 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nc(COC)no2)C1 ZINC001209364581 1324911734 /nfs/dbraw/zinc/91/17/34/1324911734.db2.gz CXHUSFGGPAJFPS-UONOGXRCSA-N 1 2 336.436 2.214 20 30 EEEDLO CN(CCCc1[nH]nc(N)c1C#N)c1nc2ccccc2n2c[nH+]cc12 ZINC001306917106 1331497223 /nfs/dbraw/zinc/49/72/23/1331497223.db2.gz CPCIMCQEBMKJLC-UHFFFAOYSA-N 1 2 346.398 2.128 20 30 EEEDLO COc1cc(-c2noc(C[NH2+][C@H](C)c3cccc(C#N)c3)n2)ncn1 ZINC001308066010 1331561285 /nfs/dbraw/zinc/56/12/85/1331561285.db2.gz KKHBUUVXQCWDNB-LLVKDONJSA-N 1 2 336.355 2.258 20 30 EEEDLO C=CCNC(=O)COC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001318697613 1332579187 /nfs/dbraw/zinc/57/91/87/1332579187.db2.gz XBEHHUGSFLJTPU-QGZVFWFLSA-N 1 2 330.428 2.195 20 30 EEEDLO C=CCNC(=O)COC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001318697613 1332579189 /nfs/dbraw/zinc/57/91/89/1332579189.db2.gz XBEHHUGSFLJTPU-QGZVFWFLSA-N 1 2 330.428 2.195 20 30 EEEDLO Cc1cc(C(N)=[NH+]OCc2ccc(-c3nn[nH]n3)c(C)c2)ccc1F ZINC001609396139 1351959725 /nfs/dbraw/zinc/95/97/25/1351959725.db2.gz CGYWCBJVVOZIMO-UHFFFAOYSA-N 1 2 340.362 2.460 20 30 EEEDLO C[C@@H](Nc1nc(Br)ccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC001337027667 1336633215 /nfs/dbraw/zinc/63/32/15/1336633215.db2.gz XFZANGNXYXWJGI-MNOVXSKESA-N 1 2 339.237 2.237 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)CC(C)C ZINC001338691291 1336894576 /nfs/dbraw/zinc/89/45/76/1336894576.db2.gz SRGMZPCKSWGOOA-JKSUJKDBSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)CC(C)C ZINC001338691291 1336894579 /nfs/dbraw/zinc/89/45/79/1336894579.db2.gz SRGMZPCKSWGOOA-JKSUJKDBSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@H](CC)C1 ZINC001339484957 1337013080 /nfs/dbraw/zinc/01/30/80/1337013080.db2.gz IWLNUMYDOGFYKA-HOTGVXAUSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@H](CC)C1 ZINC001339484957 1337013082 /nfs/dbraw/zinc/01/30/82/1337013082.db2.gz IWLNUMYDOGFYKA-HOTGVXAUSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCN(CCOC)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001340912566 1337265723 /nfs/dbraw/zinc/26/57/23/1337265723.db2.gz YFNXOENNHURLNI-UHFFFAOYSA-N 1 2 346.479 2.030 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCS[C@H](C(C)C)C1 ZINC001342417158 1337316188 /nfs/dbraw/zinc/31/61/88/1337316188.db2.gz ZMHXRMYMEAJYSJ-AWEZNQCLSA-N 1 2 346.504 2.366 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1C[C@@H](C)C[C@@H]1C ZINC001351544073 1337824323 /nfs/dbraw/zinc/82/43/23/1337824323.db2.gz LVPFLUISCOXIGP-JYJNAYRXSA-N 1 2 333.480 2.481 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1C[C@@H](C)C[C@@H]1C ZINC001351544073 1337824325 /nfs/dbraw/zinc/82/43/25/1337824325.db2.gz LVPFLUISCOXIGP-JYJNAYRXSA-N 1 2 333.480 2.481 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NCCN(C)c1nc(C)[nH+]c(C)c1C ZINC001100238854 1338199062 /nfs/dbraw/zinc/19/90/62/1338199062.db2.gz UWFNJHCSNZOEEP-SFHVURJKSA-N 1 2 334.464 2.183 20 30 EEEDLO C=CC[C@@H]1CCCN(c2nnc(C[N@@H+]3CCC[C@H](O)C3)n2CC)C1 ZINC001356502380 1338827777 /nfs/dbraw/zinc/82/77/77/1338827777.db2.gz SCRWWACFRJREHE-CVEARBPZSA-N 1 2 333.480 2.047 20 30 EEEDLO C=CC[C@@H]1CCCN(c2nnc(C[N@H+]3CCC[C@H](O)C3)n2CC)C1 ZINC001356502380 1338827780 /nfs/dbraw/zinc/82/77/80/1338827780.db2.gz SCRWWACFRJREHE-CVEARBPZSA-N 1 2 333.480 2.047 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001566616796 1342581118 /nfs/dbraw/zinc/58/11/18/1342581118.db2.gz MILWGZZMLIOJIC-AWEZNQCLSA-N 1 2 338.835 2.329 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CCC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001566616796 1342581122 /nfs/dbraw/zinc/58/11/22/1342581122.db2.gz MILWGZZMLIOJIC-AWEZNQCLSA-N 1 2 338.835 2.329 20 30 EEEDLO C=C1CCC(C(=O)N2CCC([C@H](C)[NH2+]Cc3c[nH]nn3)CC2)CC1 ZINC001575063058 1343726030 /nfs/dbraw/zinc/72/60/30/1343726030.db2.gz ZUTJLGDJMKCJSM-AWEZNQCLSA-N 1 2 331.464 2.268 20 30 EEEDLO C=C1CCC(C(=O)N2CCC([C@H](C)[NH2+]Cc3cn[nH]n3)CC2)CC1 ZINC001575063058 1343726034 /nfs/dbraw/zinc/72/60/34/1343726034.db2.gz ZUTJLGDJMKCJSM-AWEZNQCLSA-N 1 2 331.464 2.268 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]([C@@H]2CC[N@H+](Cc3cnn[nH]3)C2)C1 ZINC001575079181 1343729728 /nfs/dbraw/zinc/72/97/28/1343729728.db2.gz UXSWBKGGEDDCFT-JKSUJKDBSA-N 1 2 345.491 2.468 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]([C@@H]2CC[N@@H+](Cc3cnn[nH]3)C2)C1 ZINC001575079181 1343729732 /nfs/dbraw/zinc/72/97/32/1343729732.db2.gz UXSWBKGGEDDCFT-JKSUJKDBSA-N 1 2 345.491 2.468 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]([C@@H]2CC[N@H+](Cc3c[nH]nn3)C2)C1 ZINC001575079181 1343729735 /nfs/dbraw/zinc/72/97/35/1343729735.db2.gz UXSWBKGGEDDCFT-JKSUJKDBSA-N 1 2 345.491 2.468 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]([C@@H]2CC[N@@H+](Cc3c[nH]nn3)C2)C1 ZINC001575079181 1343729737 /nfs/dbraw/zinc/72/97/37/1343729737.db2.gz UXSWBKGGEDDCFT-JKSUJKDBSA-N 1 2 345.491 2.468 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]([C@@H]2CC[N@H+](Cc3cn[nH]n3)C2)C1 ZINC001575079181 1343729739 /nfs/dbraw/zinc/72/97/39/1343729739.db2.gz UXSWBKGGEDDCFT-JKSUJKDBSA-N 1 2 345.491 2.468 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]([C@@H]2CC[N@@H+](Cc3cn[nH]n3)C2)C1 ZINC001575079181 1343729742 /nfs/dbraw/zinc/72/97/42/1343729742.db2.gz UXSWBKGGEDDCFT-JKSUJKDBSA-N 1 2 345.491 2.468 20 30 EEEDLO Cc1c(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cnn1-c1cc[nH+]cc1 ZINC000090394662 1357060144 /nfs/dbraw/zinc/06/01/44/1357060144.db2.gz MJSIQVDCAGOYDK-UHFFFAOYSA-N 1 2 346.354 2.392 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC001030978647 1367485720 /nfs/dbraw/zinc/48/57/20/1367485720.db2.gz NNSKAGNRJXLKBG-MOPGFXCFSA-N 1 2 326.440 2.456 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nsc(N(C)C)n1 ZINC001135229994 1368066007 /nfs/dbraw/zinc/06/60/07/1368066007.db2.gz HLOLIYLGUDOLDT-RYUDHWBXSA-N 1 2 339.509 2.189 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@H]21 ZINC001188080687 1368279656 /nfs/dbraw/zinc/27/96/56/1368279656.db2.gz GWLJOLOKAGQMGL-DOTOQJQBSA-N 1 2 331.464 2.248 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@H]21 ZINC001188080687 1368279666 /nfs/dbraw/zinc/27/96/66/1368279666.db2.gz GWLJOLOKAGQMGL-DOTOQJQBSA-N 1 2 331.464 2.248 20 30 EEEDLO C[N@H+](Cc1c(F)cccc1F)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001188959688 1368334654 /nfs/dbraw/zinc/33/46/54/1368334654.db2.gz XMKGZOFXMCDSPN-GFCCVEGCSA-N 1 2 339.411 2.254 20 30 EEEDLO C[N@@H+](Cc1c(F)cccc1F)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001188959688 1368334662 /nfs/dbraw/zinc/33/46/62/1368334662.db2.gz XMKGZOFXMCDSPN-GFCCVEGCSA-N 1 2 339.411 2.254 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)CCOC)C1 ZINC001193180314 1368447274 /nfs/dbraw/zinc/44/72/74/1368447274.db2.gz JVSBCUYKLFNMCB-ZDUSSCGKSA-N 1 2 347.297 2.490 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)CCOC)C1 ZINC001193180314 1368447277 /nfs/dbraw/zinc/44/72/77/1368447277.db2.gz JVSBCUYKLFNMCB-ZDUSSCGKSA-N 1 2 347.297 2.490 20 30 EEEDLO C#CCCCCC(=O)N1CCC[N@@H+](Cc2cc(OC)ccn2)CC1 ZINC001195540542 1368550035 /nfs/dbraw/zinc/55/00/35/1368550035.db2.gz CSKHECSHUCITAL-UHFFFAOYSA-N 1 2 329.444 2.318 20 30 EEEDLO C#CCCCCC(=O)N1CCC[N@H+](Cc2cc(OC)ccn2)CC1 ZINC001195540542 1368550039 /nfs/dbraw/zinc/55/00/39/1368550039.db2.gz CSKHECSHUCITAL-UHFFFAOYSA-N 1 2 329.444 2.318 20 30 EEEDLO CO[C@@H](C[NH+]1CCN(C(=O)c2ccc(C#N)[nH]2)CC1)c1ccccc1 ZINC001199680179 1368693618 /nfs/dbraw/zinc/69/36/18/1368693618.db2.gz OGBQRPGDEIADOT-SFHVURJKSA-N 1 2 338.411 2.032 20 30 EEEDLO Cc1cc(N2CCC(CNC(=O)[C@H](C)C#N)CC2)nc(C2CC2)[nH+]1 ZINC001095348996 1369660746 /nfs/dbraw/zinc/66/07/46/1369660746.db2.gz FZVAKZNMNTWKBZ-GFCCVEGCSA-N 1 2 327.432 2.155 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001098294342 1370977578 /nfs/dbraw/zinc/97/75/78/1370977578.db2.gz PEUBBLPLKMLSRE-ZNMIVQPWSA-N 1 2 332.448 2.416 20 30 EEEDLO CC[C@@H](C)CC(=O)NCC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001389410449 1388108649 /nfs/dbraw/zinc/10/86/49/1388108649.db2.gz QIHREIIWZWWYEK-QGZVFWFLSA-N 1 2 342.487 2.228 20 30 EEEDLO C[C@@H](CCCNc1ncc(C#N)cc1F)NC(=O)CCc1c[nH]c[nH+]1 ZINC001115106782 1371523035 /nfs/dbraw/zinc/52/30/35/1371523035.db2.gz ITVOOVBCJHEWQU-LBPRGKRZSA-N 1 2 344.394 2.145 20 30 EEEDLO C[C@@H](CCCNc1ncc(C#N)cc1F)NC(=O)CCc1c[nH+]c[nH]1 ZINC001115106782 1371523037 /nfs/dbraw/zinc/52/30/37/1371523037.db2.gz ITVOOVBCJHEWQU-LBPRGKRZSA-N 1 2 344.394 2.145 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2noc(C3CC3)n2)CCCCC1 ZINC001115454559 1371626485 /nfs/dbraw/zinc/62/64/85/1371626485.db2.gz SBBDKWVPIHDBMH-LBPRGKRZSA-N 1 2 331.420 2.015 20 30 EEEDLO CCN(c1ccc(NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1)C(C)C ZINC000829968112 1372304109 /nfs/dbraw/zinc/30/41/09/1372304109.db2.gz DYRPLOOAXHAFDB-LJQANCHMSA-N 1 2 344.459 2.210 20 30 EEEDLO CCN(c1ccc(NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1)C(C)C ZINC000829968112 1372304114 /nfs/dbraw/zinc/30/41/14/1372304114.db2.gz DYRPLOOAXHAFDB-LJQANCHMSA-N 1 2 344.459 2.210 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2noc(C(C)C)n2)C12CCC2 ZINC001202865962 1372418263 /nfs/dbraw/zinc/41/82/63/1372418263.db2.gz FNKCLQOYPBPYMC-LSDHHAIUSA-N 1 2 344.459 2.369 20 30 EEEDLO C=C(C)CCC(=O)N1CCCO[C@H](C[NH2+][C@@H](C)c2csnn2)C1 ZINC001200628607 1373069560 /nfs/dbraw/zinc/06/95/60/1373069560.db2.gz YGADQEMEJYCAAR-UONOGXRCSA-N 1 2 338.477 2.163 20 30 EEEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)Cc3ccoc3)CC2)cc1 ZINC001365630609 1373747581 /nfs/dbraw/zinc/74/75/81/1373747581.db2.gz WSKGSXMBPBZCLR-UHFFFAOYSA-N 1 2 339.395 2.069 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)C[C@H]1CCCO1 ZINC001367500539 1374185427 /nfs/dbraw/zinc/18/54/27/1374185427.db2.gz AFWWCEYHFAURLE-MRXNPFEDSA-N 1 2 333.407 2.157 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)C[C@H]1CCCO1 ZINC001367500539 1374185430 /nfs/dbraw/zinc/18/54/30/1374185430.db2.gz AFWWCEYHFAURLE-MRXNPFEDSA-N 1 2 333.407 2.157 20 30 EEEDLO C[N@H+](CCNC(=O)CN1CCc2ccccc21)Cc1ccccc1C#N ZINC001372219936 1375864235 /nfs/dbraw/zinc/86/42/35/1375864235.db2.gz DHZUMTLCPUETEN-UHFFFAOYSA-N 1 2 348.450 2.169 20 30 EEEDLO C[N@@H+](CCNC(=O)CN1CCc2ccccc21)Cc1ccccc1C#N ZINC001372219936 1375864243 /nfs/dbraw/zinc/86/42/43/1375864243.db2.gz DHZUMTLCPUETEN-UHFFFAOYSA-N 1 2 348.450 2.169 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@H]1CCN(C(=O)CCCC(C)=O)C1 ZINC001377740968 1379487765 /nfs/dbraw/zinc/48/77/65/1379487765.db2.gz CXZMXDAETXFLNP-CQSZACIVSA-N 1 2 345.281 2.435 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCN(C(=O)CCCC(C)=O)C1 ZINC001377740968 1379487770 /nfs/dbraw/zinc/48/77/70/1379487770.db2.gz CXZMXDAETXFLNP-CQSZACIVSA-N 1 2 345.281 2.435 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(C(F)(F)F)n(C)n1 ZINC001390894914 1388854833 /nfs/dbraw/zinc/85/48/33/1388854833.db2.gz DAENPIAJVHNSBF-UHFFFAOYSA-N 1 2 338.761 2.243 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(C(F)(F)F)n(C)n1 ZINC001390894914 1388854840 /nfs/dbraw/zinc/85/48/40/1388854840.db2.gz DAENPIAJVHNSBF-UHFFFAOYSA-N 1 2 338.761 2.243 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NCCC[N@H+](Cc2cscn2)C2CC2)c1 ZINC001752251899 1406245511 /nfs/dbraw/zinc/24/55/11/1406245511.db2.gz SZWVJUCQSITWKS-UHFFFAOYSA-N 1 2 329.429 2.127 20 30 EEEDLO 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780891304 /nfs/dbraw/zinc/89/13/04/780891304.db2.gz NZGXSDCRIVFKPD-SECBINFHSA-N 1 2 339.182 2.482 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000941911265 781326368 /nfs/dbraw/zinc/32/63/68/781326368.db2.gz ZAUJCYBAIQKKRA-LJQANCHMSA-N 1 2 346.475 2.016 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC001131894677 783419575 /nfs/dbraw/zinc/41/95/75/783419575.db2.gz BFVSPEYECDTHRS-HZPDHXFCSA-N 1 2 347.459 2.173 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC001131894677 783419582 /nfs/dbraw/zinc/41/95/82/783419582.db2.gz BFVSPEYECDTHRS-HZPDHXFCSA-N 1 2 347.459 2.173 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001033316564 783506347 /nfs/dbraw/zinc/50/63/47/783506347.db2.gz ZXPGXWRCSZYWPB-AWEZNQCLSA-N 1 2 347.850 2.176 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001033316564 783506349 /nfs/dbraw/zinc/50/63/49/783506349.db2.gz ZXPGXWRCSZYWPB-AWEZNQCLSA-N 1 2 347.850 2.176 20 30 EEEDLO C#CCCOc1ccc(C(=O)NCC[NH2+]Cc2ncc(CC)o2)cc1 ZINC001127008534 784311610 /nfs/dbraw/zinc/31/16/10/784311610.db2.gz PGXJHGHSQUXRKF-UHFFFAOYSA-N 1 2 341.411 2.159 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001035374147 784392889 /nfs/dbraw/zinc/39/28/89/784392889.db2.gz YLNPXFGNKDBDDD-INIZCTEOSA-N 1 2 331.460 2.386 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001035374147 784392897 /nfs/dbraw/zinc/39/28/97/784392897.db2.gz YLNPXFGNKDBDDD-INIZCTEOSA-N 1 2 331.460 2.386 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2scc(C)c2Cl)C1 ZINC001035380415 784459388 /nfs/dbraw/zinc/45/93/88/784459388.db2.gz BLZABOFGPGQFAG-GFCCVEGCSA-N 1 2 326.849 2.164 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2scc(C)c2Cl)C1 ZINC001035380415 784459392 /nfs/dbraw/zinc/45/93/92/784459392.db2.gz BLZABOFGPGQFAG-GFCCVEGCSA-N 1 2 326.849 2.164 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(OC)c(C(C)C)c2)C1 ZINC001035433296 784519731 /nfs/dbraw/zinc/51/97/31/784519731.db2.gz XNWGZEPGXFYXGH-MRXNPFEDSA-N 1 2 332.444 2.435 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(OC)c(C(C)C)c2)C1 ZINC001035433296 784519739 /nfs/dbraw/zinc/51/97/39/784519739.db2.gz XNWGZEPGXFYXGH-MRXNPFEDSA-N 1 2 332.444 2.435 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC001035442758 784536083 /nfs/dbraw/zinc/53/60/83/784536083.db2.gz WQPADDYVSKVFFA-MRXNPFEDSA-N 1 2 340.427 2.083 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC001035442758 784536086 /nfs/dbraw/zinc/53/60/86/784536086.db2.gz WQPADDYVSKVFFA-MRXNPFEDSA-N 1 2 340.427 2.083 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2-n2cccc2)C1 ZINC001035500291 784599000 /nfs/dbraw/zinc/59/90/00/784599000.db2.gz GFVMSZOFYFLZGG-INIZCTEOSA-N 1 2 325.412 2.094 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2-n2cccc2)C1 ZINC001035500291 784599007 /nfs/dbraw/zinc/59/90/07/784599007.db2.gz GFVMSZOFYFLZGG-INIZCTEOSA-N 1 2 325.412 2.094 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CC3CCCCC3)nn2)C1 ZINC001107119494 784694555 /nfs/dbraw/zinc/69/45/55/784694555.db2.gz CMBUNVQUUCRZES-UHFFFAOYSA-N 1 2 331.464 2.298 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001035548154 784717391 /nfs/dbraw/zinc/71/73/91/784717391.db2.gz YTBIGGOTWAHJPK-CEXWTWQISA-N 1 2 328.456 2.492 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001035548154 784717397 /nfs/dbraw/zinc/71/73/97/784717397.db2.gz YTBIGGOTWAHJPK-CEXWTWQISA-N 1 2 328.456 2.492 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(F)c2OCC)C1 ZINC001035559928 784732731 /nfs/dbraw/zinc/73/27/31/784732731.db2.gz MJAHTVBPFJPIOJ-AWEZNQCLSA-N 1 2 336.407 2.231 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(F)c2OCC)C1 ZINC001035559928 784732735 /nfs/dbraw/zinc/73/27/35/784732735.db2.gz MJAHTVBPFJPIOJ-AWEZNQCLSA-N 1 2 336.407 2.231 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)ccc2OC)C1 ZINC001035603609 784764876 /nfs/dbraw/zinc/76/48/76/784764876.db2.gz VDWFHPCVAGZGFY-AWEZNQCLSA-N 1 2 338.835 2.355 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)ccc2OC)C1 ZINC001035603609 784764888 /nfs/dbraw/zinc/76/48/88/784764888.db2.gz VDWFHPCVAGZGFY-AWEZNQCLSA-N 1 2 338.835 2.355 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H]1C[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001091520186 791053656 /nfs/dbraw/zinc/05/36/56/791053656.db2.gz FNXCVRBZCQJFFK-MQMHXKEQSA-N 1 2 341.390 2.360 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H]1C[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001091520186 791053667 /nfs/dbraw/zinc/05/36/67/791053667.db2.gz FNXCVRBZCQJFFK-MQMHXKEQSA-N 1 2 341.390 2.360 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCO[C@H]1C1CC1)CC2 ZINC001035753340 785061686 /nfs/dbraw/zinc/06/16/86/785061686.db2.gz RSSOYZLACVUXSN-CVEARBPZSA-N 1 2 338.879 2.478 20 30 EEEDLO Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)cn1 ZINC001032282009 785196549 /nfs/dbraw/zinc/19/65/49/785196549.db2.gz RKWVTGHFAWGLTE-OALUTQOASA-N 1 2 332.407 2.361 20 30 EEEDLO Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)cn1 ZINC001032282009 785196554 /nfs/dbraw/zinc/19/65/54/785196554.db2.gz RKWVTGHFAWGLTE-OALUTQOASA-N 1 2 332.407 2.361 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[C@H]2CCCO2)s1 ZINC001032291919 785649462 /nfs/dbraw/zinc/64/94/62/785649462.db2.gz YEFOEOYIGOFMPG-SOUVJXGZSA-N 1 2 345.468 2.364 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[C@H]2CCCO2)s1 ZINC001032291919 785649466 /nfs/dbraw/zinc/64/94/66/785649466.db2.gz YEFOEOYIGOFMPG-SOUVJXGZSA-N 1 2 345.468 2.364 20 30 EEEDLO C=CCC1(C(=O)NCc2cn(C3C[NH+](CC=C(C)C)C3)nn2)CCC1 ZINC001107204556 786395277 /nfs/dbraw/zinc/39/52/77/786395277.db2.gz DAWVCUBRKQLRIS-UHFFFAOYSA-N 1 2 343.475 2.464 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@@H](C)C(C)(C)C)nn2)C1 ZINC001107231698 786534457 /nfs/dbraw/zinc/53/44/57/786534457.db2.gz LQKAAZPPRXKHFJ-CQSZACIVSA-N 1 2 333.480 2.399 20 30 EEEDLO C=CCCOCC(=O)NC/C=C/CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107236747 786586369 /nfs/dbraw/zinc/58/63/69/786586369.db2.gz XALJYJKGILUWMZ-BQYQJAHWSA-N 1 2 344.459 2.341 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@]3(C)CCC(C)=C(C)C3)nn2)C1 ZINC001107240881 786596298 /nfs/dbraw/zinc/59/62/98/786596298.db2.gz IABVLOQYYSHZGX-LJQANCHMSA-N 1 2 343.475 2.464 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]nnc3c2)CC1(C)C ZINC000996598874 786731617 /nfs/dbraw/zinc/73/16/17/786731617.db2.gz PAGFEJVPLYTRHT-CQSZACIVSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ccc(Cl)nc3)C[C@H]2O)C1 ZINC001090552818 786874228 /nfs/dbraw/zinc/87/42/28/786874228.db2.gz GFTNOCKUOPZZMB-LSDHHAIUSA-N 1 2 349.862 2.143 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(Cl)nc3)C[C@H]2O)C1 ZINC001090552818 786874238 /nfs/dbraw/zinc/87/42/38/786874238.db2.gz GFTNOCKUOPZZMB-LSDHHAIUSA-N 1 2 349.862 2.143 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ccnc(Cl)c3)C[C@H]2O)C1 ZINC001090553891 786891557 /nfs/dbraw/zinc/89/15/57/786891557.db2.gz SVJYBHKJHCCUTK-LSDHHAIUSA-N 1 2 349.862 2.143 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ccnc(Cl)c3)C[C@H]2O)C1 ZINC001090553891 786891568 /nfs/dbraw/zinc/89/15/68/786891568.db2.gz SVJYBHKJHCCUTK-LSDHHAIUSA-N 1 2 349.862 2.143 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ncoc3C(C)C)C[C@H]2O)C1 ZINC001090555392 786913719 /nfs/dbraw/zinc/91/37/19/786913719.db2.gz KAMIHHDBDFXDQL-GDBMZVCRSA-N 1 2 347.459 2.206 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3ncoc3C(C)C)C[C@H]2O)C1 ZINC001090555392 786913723 /nfs/dbraw/zinc/91/37/23/786913723.db2.gz KAMIHHDBDFXDQL-GDBMZVCRSA-N 1 2 347.459 2.206 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)C ZINC001109597458 805739740 /nfs/dbraw/zinc/73/97/40/805739740.db2.gz LVCUIFVNKPTYFD-PMPSAXMXSA-N 1 2 335.492 2.082 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)C ZINC001109597458 805739747 /nfs/dbraw/zinc/73/97/47/805739747.db2.gz LVCUIFVNKPTYFD-PMPSAXMXSA-N 1 2 335.492 2.082 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)cn2)[C@H](O)C1 ZINC001090572601 787014770 /nfs/dbraw/zinc/01/47/70/787014770.db2.gz HAIPZKQZSXJBQZ-GDBMZVCRSA-N 1 2 337.851 2.123 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)cn2)[C@H](O)C1 ZINC001090572601 787014782 /nfs/dbraw/zinc/01/47/82/787014782.db2.gz HAIPZKQZSXJBQZ-GDBMZVCRSA-N 1 2 337.851 2.123 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(CC)CC ZINC001109605441 805757462 /nfs/dbraw/zinc/75/74/62/805757462.db2.gz BMFBPZZYDFVYHO-PMPSAXMXSA-N 1 2 335.492 2.225 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(CC)CC ZINC001109605441 805757466 /nfs/dbraw/zinc/75/74/66/805757466.db2.gz BMFBPZZYDFVYHO-PMPSAXMXSA-N 1 2 335.492 2.225 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C12CCC2 ZINC001090600073 787195328 /nfs/dbraw/zinc/19/53/28/787195328.db2.gz QMSYIWRDMMDVSC-ZIAGYGMSSA-N 1 2 340.431 2.169 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)(C)C ZINC001109634542 805782921 /nfs/dbraw/zinc/78/29/21/805782921.db2.gz PNARVODBQSLPOL-YVSFHVDLSA-N 1 2 349.519 2.473 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)(C)C ZINC001109634542 805782925 /nfs/dbraw/zinc/78/29/25/805782925.db2.gz PNARVODBQSLPOL-YVSFHVDLSA-N 1 2 349.519 2.473 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2oc(C(C)C)nc2C)[C@@H](O)C1 ZINC001090639688 787472825 /nfs/dbraw/zinc/47/28/25/787472825.db2.gz ZIHLCXKVZBTZIL-STQMWFEESA-N 1 2 341.839 2.024 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2oc(C(C)C)nc2C)[C@@H](O)C1 ZINC001090639688 787472830 /nfs/dbraw/zinc/47/28/30/787472830.db2.gz ZIHLCXKVZBTZIL-STQMWFEESA-N 1 2 341.839 2.024 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001062185990 787594492 /nfs/dbraw/zinc/59/44/92/787594492.db2.gz BYLRSORSMDSWFN-MRXNPFEDSA-N 1 2 339.443 2.371 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001062255688 787727015 /nfs/dbraw/zinc/72/70/15/787727015.db2.gz 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CCc1nc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)co1 ZINC001032365744 788447557 /nfs/dbraw/zinc/44/75/57/788447557.db2.gz KTQGREPWYVLKHW-HOTGVXAUSA-N 1 2 336.395 2.208 20 30 EEEDLO C=C(Cl)C[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)C(F)F)C1 ZINC001127863397 788642453 /nfs/dbraw/zinc/64/24/53/788642453.db2.gz SZVCIQCZPAMHAB-LBPRGKRZSA-N 1 2 345.777 2.169 20 30 EEEDLO C=CCOCC(=O)N(C)C[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001115650668 788657642 /nfs/dbraw/zinc/65/76/42/788657642.db2.gz DQDRSFJLIDLZJV-CYBMUJFWSA-N 1 2 332.448 2.125 20 30 EEEDLO C#CCCCCCC(=O)NCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001077744842 788905858 /nfs/dbraw/zinc/90/58/58/788905858.db2.gz DDBYUCWGMFMQNX-DLBZAZTESA-N 1 2 346.475 2.429 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C2CC[NH+](Cc3nnc(CC)o3)CC2)C1 ZINC001005944097 788953656 /nfs/dbraw/zinc/95/36/56/788953656.db2.gz VKEYODFBDRSYDM-UHFFFAOYSA-N 1 2 332.448 2.411 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997141424 789087255 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795055028 /nfs/dbraw/zinc/05/50/28/795055028.db2.gz NSQQYWPBCATRNU-QZTJIDSGSA-N 1 2 327.428 2.208 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnn2CC2CCC2)C1 ZINC001079705095 795122834 /nfs/dbraw/zinc/12/28/34/795122834.db2.gz QQGOIXWAEBZTPI-IUODEOHRSA-N 1 2 336.867 2.486 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnn2CC2CCC2)C1 ZINC001079705095 795122839 /nfs/dbraw/zinc/12/28/39/795122839.db2.gz QQGOIXWAEBZTPI-IUODEOHRSA-N 1 2 336.867 2.486 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](C)C[C@H](C)NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001089306714 795156104 /nfs/dbraw/zinc/15/61/04/795156104.db2.gz RGYQBJMUAFJPJZ-UONOGXRCSA-N 1 2 340.431 2.313 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC[NH2+]Cc1nc([C@@H](C)OCC)no1 ZINC001128087756 795261248 /nfs/dbraw/zinc/26/12/48/795261248.db2.gz ASVKRYIGOKBFME-CYBMUJFWSA-N 1 2 336.436 2.141 20 30 EEEDLO C=CC(C)(C)CC(=O)N(CC)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001079844266 795275683 /nfs/dbraw/zinc/27/56/83/795275683.db2.gz GLVFFALFYVMCRU-UHFFFAOYSA-N 1 2 346.475 2.349 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3CCC(OC)CC3)CC2)C1 ZINC001093566048 795376055 /nfs/dbraw/zinc/37/60/55/795376055.db2.gz MRURIPBYXXEABM-UHFFFAOYSA-N 1 2 336.476 2.069 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2coc(C(F)(F)F)n2)C1 ZINC001080044182 795518032 /nfs/dbraw/zinc/51/80/32/795518032.db2.gz YMYURPIIAYGLOH-VXNVDRBHSA-N 1 2 337.729 2.496 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2coc(C(F)(F)F)n2)C1 ZINC001080044182 795518035 /nfs/dbraw/zinc/51/80/35/795518035.db2.gz YMYURPIIAYGLOH-VXNVDRBHSA-N 1 2 337.729 2.496 20 30 EEEDLO Cc1ccc(C#N)c(NCCNC(=O)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC001093834597 795718449 /nfs/dbraw/zinc/71/84/49/795718449.db2.gz ZXYNIZKQYVMMFE-UHFFFAOYSA-N 1 2 346.394 2.289 20 30 EEEDLO C=CCCC1(C(=O)N2CC(N(CC)C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001080199633 795729947 /nfs/dbraw/zinc/72/99/47/795729947.db2.gz JISRENRCKBEIIA-UHFFFAOYSA-N 1 2 344.459 2.066 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(CC)C1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001080305293 795805727 /nfs/dbraw/zinc/80/57/27/795805727.db2.gz MDYNJGIHFCQCJV-HNNXBMFYSA-N 1 2 346.475 2.014 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001080309086 795812018 /nfs/dbraw/zinc/81/20/18/795812018.db2.gz WLRCWJRDOJLJGJ-CABCVRRESA-N 1 2 346.475 2.250 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001080309086 795812024 /nfs/dbraw/zinc/81/20/24/795812024.db2.gz WLRCWJRDOJLJGJ-CABCVRRESA-N 1 2 346.475 2.250 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N(CC)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001080289747 795836471 /nfs/dbraw/zinc/83/64/71/795836471.db2.gz RTHZUYVQPNXLRY-UONOGXRCSA-N 1 2 346.475 2.205 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2-c2cnn(C)c2)C1 ZINC001080320487 795884883 /nfs/dbraw/zinc/88/48/83/795884883.db2.gz AVXZRDGAODLPPJ-IAQYHMDHSA-N 1 2 348.834 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2-c2cnn(C)c2)C1 ZINC001080320487 795884886 /nfs/dbraw/zinc/88/48/86/795884886.db2.gz AVXZRDGAODLPPJ-IAQYHMDHSA-N 1 2 348.834 2.483 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)c2cscn2)CC1 ZINC001000517398 795978866 /nfs/dbraw/zinc/97/88/66/795978866.db2.gz QTHVFAPOVLVZME-UHFFFAOYSA-N 1 2 342.262 2.414 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)c2cscn2)CC1 ZINC001000517398 795978870 /nfs/dbraw/zinc/97/88/70/795978870.db2.gz QTHVFAPOVLVZME-UHFFFAOYSA-N 1 2 342.262 2.414 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(CC)C1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001080467260 796040845 /nfs/dbraw/zinc/04/08/45/796040845.db2.gz PEUNBCHSKSELEN-DNVCBOLYSA-N 1 2 346.475 2.496 20 30 EEEDLO Cc1cnc(C[N@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C)s1 ZINC000993234020 796132642 /nfs/dbraw/zinc/13/26/42/796132642.db2.gz MIROZEFWUXEPEF-JSGCOSHPSA-N 1 2 343.456 2.434 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C)s1 ZINC000993234020 796132644 /nfs/dbraw/zinc/13/26/44/796132644.db2.gz MIROZEFWUXEPEF-JSGCOSHPSA-N 1 2 343.456 2.434 20 30 EEEDLO Cc1conc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001080735322 796354959 /nfs/dbraw/zinc/35/49/59/796354959.db2.gz VTLAPNNOTYDSBG-CXAGYDPISA-N 1 2 341.386 2.224 20 30 EEEDLO Cc1conc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001080735322 796354963 /nfs/dbraw/zinc/35/49/63/796354963.db2.gz VTLAPNNOTYDSBG-CXAGYDPISA-N 1 2 341.386 2.224 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2csc(COC)n2)C1 ZINC001080744180 796359259 /nfs/dbraw/zinc/35/92/59/796359259.db2.gz NKFDXSVXIDOAJP-ZWNOBZJWSA-N 1 2 343.880 2.021 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2csc(COC)n2)C1 ZINC001080744180 796359268 /nfs/dbraw/zinc/35/92/68/796359268.db2.gz NKFDXSVXIDOAJP-ZWNOBZJWSA-N 1 2 343.880 2.021 20 30 EEEDLO C=CCCC(=O)N1CCC(CN(CC)C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001081060385 796605455 /nfs/dbraw/zinc/60/54/55/796605455.db2.gz DAAMJNGENNYMNU-UHFFFAOYSA-N 1 2 346.475 2.396 20 30 EEEDLO C=CCCC(=O)N1CCC(CN(CC)C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001081060385 796605461 /nfs/dbraw/zinc/60/54/61/796605461.db2.gz DAAMJNGENNYMNU-UHFFFAOYSA-N 1 2 346.475 2.396 20 30 EEEDLO C#CCOc1ncccc1C(=O)NC1C[NH+](Cc2ccccc2C)C1 ZINC001031276005 796627207 /nfs/dbraw/zinc/62/72/07/796627207.db2.gz GDIRASWFHLWARA-UHFFFAOYSA-N 1 2 335.407 2.016 20 30 EEEDLO C#Cc1ccc(C(=O)NC2C[NH+](CCc3ccc(CC)cc3)C2)cn1 ZINC001031279648 796646763 /nfs/dbraw/zinc/64/67/63/796646763.db2.gz LRCLLWISXGDIDW-UHFFFAOYSA-N 1 2 333.435 2.282 20 30 EEEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)C(C)C ZINC001081375162 796743041 /nfs/dbraw/zinc/74/30/41/796743041.db2.gz OMTQQGLJXRMIQH-IAGOWNOFSA-N 1 2 334.847 2.163 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)C(C)C ZINC001081375162 796743044 /nfs/dbraw/zinc/74/30/44/796743044.db2.gz OMTQQGLJXRMIQH-IAGOWNOFSA-N 1 2 334.847 2.163 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(F)cn2)[C@@H]1C ZINC000993506879 796759525 /nfs/dbraw/zinc/75/95/25/796759525.db2.gz PATFJIPKHVUQSG-SWLSCSKDSA-N 1 2 325.815 2.485 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(F)cn2)[C@@H]1C ZINC000993506879 796759529 /nfs/dbraw/zinc/75/95/29/796759529.db2.gz PATFJIPKHVUQSG-SWLSCSKDSA-N 1 2 325.815 2.485 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnn3c2OCCC3)[C@H]1C ZINC000993529765 796785124 /nfs/dbraw/zinc/78/51/24/796785124.db2.gz PAQHQGMIFHCCLK-OCCSQVGLSA-N 1 2 338.839 2.001 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnn3c2OCCC3)[C@H]1C ZINC000993529765 796785128 /nfs/dbraw/zinc/78/51/28/796785128.db2.gz PAQHQGMIFHCCLK-OCCSQVGLSA-N 1 2 338.839 2.001 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cnco2)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000993640580 796863902 /nfs/dbraw/zinc/86/39/02/796863902.db2.gz IALYWOUPGIEBAP-MLGOLLRUSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cnco2)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000993640580 796863905 /nfs/dbraw/zinc/86/39/05/796863905.db2.gz IALYWOUPGIEBAP-MLGOLLRUSA-N 1 2 342.374 2.468 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3cnnn3C)[C@@H]2C)CC1 ZINC000993748345 796976573 /nfs/dbraw/zinc/97/65/73/796976573.db2.gz YPWKRUIKXRQYPT-RHSMWYFYSA-N 1 2 331.464 2.031 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnnn3C)[C@@H]2C)CC1 ZINC000993748345 796976579 /nfs/dbraw/zinc/97/65/79/796976579.db2.gz YPWKRUIKXRQYPT-RHSMWYFYSA-N 1 2 331.464 2.031 20 30 EEEDLO COC(=O)c1cc(Nc2ccc(C[NH+]3CC(O)C3)cc2)ccc1C#N ZINC001212672085 797026880 /nfs/dbraw/zinc/02/68/80/797026880.db2.gz FBAXEEAELMJSMK-UHFFFAOYSA-N 1 2 337.379 2.265 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001081945566 797027955 /nfs/dbraw/zinc/02/79/55/797027955.db2.gz OVTYAMPXNWHMFU-INIZCTEOSA-N 1 2 346.475 2.390 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1(C)CC=CC1 ZINC001082099059 797171130 /nfs/dbraw/zinc/17/11/30/797171130.db2.gz IHQIPWKKSVEUMK-QZTJIDSGSA-N 1 2 339.439 2.230 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1(C)CC=CC1 ZINC001082099059 797171132 /nfs/dbraw/zinc/17/11/32/797171132.db2.gz IHQIPWKKSVEUMK-QZTJIDSGSA-N 1 2 339.439 2.230 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001082100355 797172224 /nfs/dbraw/zinc/17/22/24/797172224.db2.gz KXCMXKFLWBCJDA-RDJZCZTQSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001082100355 797172230 /nfs/dbraw/zinc/17/22/30/797172230.db2.gz KXCMXKFLWBCJDA-RDJZCZTQSA-N 1 2 346.475 2.442 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2(c3ncccn3)CC2)C[C@H]1C#N ZINC001172973858 797177012 /nfs/dbraw/zinc/17/70/12/797177012.db2.gz IVYBKADUMMQFBH-KGLIPLIRSA-N 1 2 343.431 2.347 20 30 EEEDLO N#Cc1cccnc1NCCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001095001791 797214232 /nfs/dbraw/zinc/21/42/32/797214232.db2.gz STPDWASZBZPIIK-UHFFFAOYSA-N 1 2 326.404 2.008 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001082236291 797336790 /nfs/dbraw/zinc/33/67/90/797336790.db2.gz ZJLRGIOMVYKRKJ-HOTGVXAUSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001082237852 797339095 /nfs/dbraw/zinc/33/90/95/797339095.db2.gz YZQYVGODJCANQI-SJORKVTESA-N 1 2 346.475 2.373 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)n(C)n1 ZINC001095215483 797528541 /nfs/dbraw/zinc/52/85/41/797528541.db2.gz KQZRLYXMBPYSIT-QYZOEREBSA-N 1 2 348.450 2.115 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)n(C)n1 ZINC001095215483 797528544 /nfs/dbraw/zinc/52/85/44/797528544.db2.gz KQZRLYXMBPYSIT-QYZOEREBSA-N 1 2 348.450 2.115 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccns3)[C@H]2C)nc1 ZINC000994247399 797539021 /nfs/dbraw/zinc/53/90/21/797539021.db2.gz CWFXIZSQBYFIJE-XJKSGUPXSA-N 1 2 340.452 2.302 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccns3)[C@H]2C)nc1 ZINC000994247399 797539023 /nfs/dbraw/zinc/53/90/23/797539023.db2.gz CWFXIZSQBYFIJE-XJKSGUPXSA-N 1 2 340.452 2.302 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC(Nc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001095246285 797557946 /nfs/dbraw/zinc/55/79/46/797557946.db2.gz KZHMFYYRDYYPPH-AWEZNQCLSA-N 1 2 346.479 2.251 20 30 EEEDLO CC(C)(C)c1noc(Nc2cnn(CC[NH+]3CCOCC3)c2)c1C#N ZINC001174489849 797767834 /nfs/dbraw/zinc/76/78/34/797767834.db2.gz HBDHIBOFHAZLFW-UHFFFAOYSA-N 1 2 344.419 2.116 20 30 EEEDLO N#Cc1cc(Cl)ccc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001174492455 797769234 /nfs/dbraw/zinc/76/92/34/797769234.db2.gz YXXHWKFNMRFJIG-UHFFFAOYSA-N 1 2 331.807 2.484 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)c2ccc3nc(-c4ccccc4)nn3c2)CC1 ZINC001174778061 797865500 /nfs/dbraw/zinc/86/55/00/797865500.db2.gz WEVGDPPVJFNAAS-UHFFFAOYSA-N 1 2 347.422 2.340 20 30 EEEDLO CSCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084172325 798022768 /nfs/dbraw/zinc/02/27/68/798022768.db2.gz JRWHSUHECCMPBF-GDBMZVCRSA-N 1 2 333.432 2.093 20 30 EEEDLO CSCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084172325 798022773 /nfs/dbraw/zinc/02/27/73/798022773.db2.gz JRWHSUHECCMPBF-GDBMZVCRSA-N 1 2 333.432 2.093 20 30 EEEDLO CCc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)n[nH]1 ZINC001084199633 798051216 /nfs/dbraw/zinc/05/12/16/798051216.db2.gz GMMDETFEBQXBHB-VQIMIIECSA-N 1 2 349.438 2.190 20 30 EEEDLO CCc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)n[nH]1 ZINC001084199633 798051222 /nfs/dbraw/zinc/05/12/22/798051222.db2.gz GMMDETFEBQXBHB-VQIMIIECSA-N 1 2 349.438 2.190 20 30 EEEDLO CCc1ncoc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084647820 798339151 /nfs/dbraw/zinc/33/91/51/798339151.db2.gz GWIMPTBTEPBRGO-IEBWSBKVSA-N 1 2 349.434 2.435 20 30 EEEDLO CCc1ncoc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084647820 798339158 /nfs/dbraw/zinc/33/91/58/798339158.db2.gz GWIMPTBTEPBRGO-IEBWSBKVSA-N 1 2 349.434 2.435 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2c(C)ccn2C)CC1 ZINC001002680266 798435226 /nfs/dbraw/zinc/43/52/26/798435226.db2.gz OJAKDJRNXURHIA-UHFFFAOYSA-N 1 2 340.265 2.436 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COc4ccccc43)[C@@H]2C1 ZINC001084866915 798516554 /nfs/dbraw/zinc/51/65/54/798516554.db2.gz ODCOAZSOKDSXTI-FVQBIDKESA-N 1 2 332.831 2.448 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COc4ccccc43)[C@@H]2C1 ZINC001084866915 798516558 /nfs/dbraw/zinc/51/65/58/798516558.db2.gz ODCOAZSOKDSXTI-FVQBIDKESA-N 1 2 332.831 2.448 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)CCCCCC)C2)nn1 ZINC001098751157 798684521 /nfs/dbraw/zinc/68/45/21/798684521.db2.gz IXMZAYCPJSFMPG-AEFFLSMTSA-N 1 2 345.491 2.381 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)CC(C)=C(C)C)C[C@@H]21 ZINC001177072288 798726982 /nfs/dbraw/zinc/72/69/82/798726982.db2.gz CRGUZFANQWKEGB-ROUUACIJSA-N 1 2 336.476 2.237 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC(C)=C(C)C)C[C@@H]21 ZINC001177072288 798726984 /nfs/dbraw/zinc/72/69/84/798726984.db2.gz CRGUZFANQWKEGB-ROUUACIJSA-N 1 2 336.476 2.237 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)CCC)C[C@H]21 ZINC001177080117 798732143 /nfs/dbraw/zinc/73/21/43/798732143.db2.gz JJSFZTHTEIYCAY-IAGOWNOFSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)CCC)C[C@H]21 ZINC001177080117 798732145 /nfs/dbraw/zinc/73/21/45/798732145.db2.gz JJSFZTHTEIYCAY-IAGOWNOFSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CCC=CCC3)C[C@@H]21 ZINC001177149928 798774104 /nfs/dbraw/zinc/77/41/04/798774104.db2.gz FJCYDPLLKBGNLZ-OALUTQOASA-N 1 2 348.487 2.237 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)C3CCC=CCC3)C[C@@H]21 ZINC001177149928 798774109 /nfs/dbraw/zinc/77/41/09/798774109.db2.gz FJCYDPLLKBGNLZ-OALUTQOASA-N 1 2 348.487 2.237 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@@H+](CCOC)[C@H]3C2)CCCC1 ZINC001177163935 798783785 /nfs/dbraw/zinc/78/37/85/798783785.db2.gz ZSEGSJUXGVQSRN-DLBZAZTESA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@H+](CCOC)[C@H]3C2)CCCC1 ZINC001177163935 798783788 /nfs/dbraw/zinc/78/37/88/798783788.db2.gz ZSEGSJUXGVQSRN-DLBZAZTESA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCCOCCCCC(=O)NCc1cnn2c1C[N@H+](CCC)CC2 ZINC001128350736 799007826 /nfs/dbraw/zinc/00/78/26/799007826.db2.gz ICANHRNWJWCEMK-UHFFFAOYSA-N 1 2 348.491 2.488 20 30 EEEDLO C=CCCOCCCCC(=O)NCc1cnn2c1C[N@@H+](CCC)CC2 ZINC001128350736 799007835 /nfs/dbraw/zinc/00/78/35/799007835.db2.gz ICANHRNWJWCEMK-UHFFFAOYSA-N 1 2 348.491 2.488 20 30 EEEDLO C=CCn1cccc1C(=O)NC1CC[NH+]([C@H](C)c2nnc(C)[nH]2)CC1 ZINC001003030180 799077771 /nfs/dbraw/zinc/07/77/71/799077771.db2.gz ILBWYCJZVXRERA-CYBMUJFWSA-N 1 2 342.447 2.056 20 30 EEEDLO C=CCn1cccc1C(=O)NC1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC001003030264 799077866 /nfs/dbraw/zinc/07/78/66/799077866.db2.gz MJFOKDBONXELRX-OAHLLOKOSA-N 1 2 339.443 2.420 20 30 EEEDLO C=C(C)CCC(=O)NCc1cnn2c1C[N@H+](CCCOC(C)C)CC2 ZINC001128372929 799098039 /nfs/dbraw/zinc/09/80/39/799098039.db2.gz XGWAFPDOUHPUFK-UHFFFAOYSA-N 1 2 348.491 2.486 20 30 EEEDLO C=C(C)CCC(=O)NCc1cnn2c1C[N@@H+](CCCOC(C)C)CC2 ZINC001128372929 799098046 /nfs/dbraw/zinc/09/80/46/799098046.db2.gz XGWAFPDOUHPUFK-UHFFFAOYSA-N 1 2 348.491 2.486 20 30 EEEDLO C#CCC1(C(=O)NCc2cnn3c2C[N@H+](CC[C@@H](C)F)CC3)CCC1 ZINC001128381989 799128867 /nfs/dbraw/zinc/12/88/67/799128867.db2.gz GLJMPYWZACRLLZ-OAHLLOKOSA-N 1 2 346.450 2.257 20 30 EEEDLO C#CCC1(C(=O)NCc2cnn3c2C[N@@H+](CC[C@@H](C)F)CC3)CCC1 ZINC001128381989 799128870 /nfs/dbraw/zinc/12/88/70/799128870.db2.gz GLJMPYWZACRLLZ-OAHLLOKOSA-N 1 2 346.450 2.257 20 30 EEEDLO Cc1nc(N2CCC([C@H]3CCCN(C(=O)[C@@H](C)C#N)C3)CC2)cc[nH+]1 ZINC001065561443 799205896 /nfs/dbraw/zinc/20/58/96/799205896.db2.gz XSXPJZZFBNEPFF-YOEHRIQHSA-N 1 2 341.459 2.400 20 30 EEEDLO C=CCCC1(C(=O)N2CC[NH+]([C@@H]3CCN(C(=O)CCC)C3)CC2)CC1 ZINC001065681692 799336611 /nfs/dbraw/zinc/33/66/11/799336611.db2.gz WZAYKTLMHAMKID-QGZVFWFLSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC(C)C)C2)CC1 ZINC001065682705 799339588 /nfs/dbraw/zinc/33/95/88/799339588.db2.gz MUHMXCHDEZBCGP-KRWDZBQOSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CCCC)C2)CC1 ZINC001065685741 799346422 /nfs/dbraw/zinc/34/64/22/799346422.db2.gz INAWHHFQSJHASM-MRXNPFEDSA-N 1 2 335.492 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C[C@@H](C)C(C)C)CC2)C1 ZINC001065690934 799364903 /nfs/dbraw/zinc/36/49/03/799364903.db2.gz GSVUMHAETFYPLV-MSOLQXFVSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CC3(C)C)CC2)C1 ZINC001065710742 799406489 /nfs/dbraw/zinc/40/64/89/799406489.db2.gz DOXABYFOSONZGY-SJORKVTESA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@](C)(C=C)CC)C2)CC1 ZINC001065713682 799415449 /nfs/dbraw/zinc/41/54/49/799415449.db2.gz XFWVVHNIFCFYKO-FXAWDEMLSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CC(C)(C)C(=O)NCc1cnn2c1C[N@H+](CC[C@H]1CCCO1)CC2 ZINC001128452786 799569631 /nfs/dbraw/zinc/56/96/31/799569631.db2.gz AZYVNJAGRSKGFR-MRXNPFEDSA-N 1 2 346.475 2.096 20 30 EEEDLO C=CC(C)(C)C(=O)NCc1cnn2c1C[N@@H+](CC[C@H]1CCCO1)CC2 ZINC001128452786 799569638 /nfs/dbraw/zinc/56/96/38/799569638.db2.gz AZYVNJAGRSKGFR-MRXNPFEDSA-N 1 2 346.475 2.096 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCc1cnn2c1C[N@H+](C[C@H](CC)OC)CC2 ZINC001128454118 799588087 /nfs/dbraw/zinc/58/80/87/799588087.db2.gz OWZWIPHUJVVLQR-WBVHZDCISA-N 1 2 348.491 2.342 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCc1cnn2c1C[N@@H+](C[C@H](CC)OC)CC2 ZINC001128454118 799588090 /nfs/dbraw/zinc/58/80/90/799588090.db2.gz OWZWIPHUJVVLQR-WBVHZDCISA-N 1 2 348.491 2.342 20 30 EEEDLO C#Cc1ccc(C(=O)NC2CC[NH+](Cc3cc4n(n3)CCC4)CC2)cc1 ZINC001003412632 799622305 /nfs/dbraw/zinc/62/23/05/799622305.db2.gz NSNMKOBLMGGAJT-UHFFFAOYSA-N 1 2 348.450 2.205 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCc1cnn2c1C[N@H+](CCCCOC)CC2 ZINC001128463193 799685893 /nfs/dbraw/zinc/68/58/93/799685893.db2.gz DOVDFDNBBVBADF-MRXNPFEDSA-N 1 2 348.491 2.344 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCc1cnn2c1C[N@@H+](CCCCOC)CC2 ZINC001128463193 799685896 /nfs/dbraw/zinc/68/58/96/799685896.db2.gz DOVDFDNBBVBADF-MRXNPFEDSA-N 1 2 348.491 2.344 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001065965697 799808547 /nfs/dbraw/zinc/80/85/47/799808547.db2.gz FZQFJMVYNRRHAU-MRXNPFEDSA-N 1 2 346.475 2.390 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001065971497 799818983 /nfs/dbraw/zinc/81/89/83/799818983.db2.gz UMCPUNHYLZEYFL-CABCVRRESA-N 1 2 344.459 2.293 20 30 EEEDLO C=CCCC(=O)N(C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001078875665 800042262 /nfs/dbraw/zinc/04/22/62/800042262.db2.gz FQOXQWYHYDYWBT-QGZVFWFLSA-N 1 2 346.475 2.469 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001066184983 800159475 /nfs/dbraw/zinc/15/94/75/800159475.db2.gz RGVPTFRHPIBHQX-HOTGVXAUSA-N 1 2 332.448 2.298 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001066227821 800215227 /nfs/dbraw/zinc/21/52/27/800215227.db2.gz APGAKMDMFLCPHG-CVEARBPZSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001066227821 800215230 /nfs/dbraw/zinc/21/52/30/800215230.db2.gz APGAKMDMFLCPHG-CVEARBPZSA-N 1 2 346.475 2.442 20 30 EEEDLO CN(C(=O)c1ccc(F)nc1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001032960431 800539310 /nfs/dbraw/zinc/53/93/10/800539310.db2.gz SOJKYRNDJULZFQ-KRWDZBQOSA-N 1 2 338.386 2.439 20 30 EEEDLO CN(C(=O)c1ccc(F)nc1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001032960431 800539313 /nfs/dbraw/zinc/53/93/13/800539313.db2.gz SOJKYRNDJULZFQ-KRWDZBQOSA-N 1 2 338.386 2.439 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)[C@H]1CCOC1 ZINC001085506471 800652662 /nfs/dbraw/zinc/65/26/62/800652662.db2.gz OZYOPBWLZDNIOD-FUHWJXTLSA-N 1 2 346.858 2.261 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)[C@H]1CCOC1 ZINC001085506471 800652665 /nfs/dbraw/zinc/65/26/65/800652665.db2.gz OZYOPBWLZDNIOD-FUHWJXTLSA-N 1 2 346.858 2.261 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CN(C)C(=O)C2CCCCCC2)C1=O ZINC001085509834 800664800 /nfs/dbraw/zinc/66/48/00/800664800.db2.gz HWKPMOZQTFURDU-MSOLQXFVSA-N 1 2 347.503 2.276 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CN(C)C(=O)C2CCCCCC2)C1=O ZINC001085509834 800664804 /nfs/dbraw/zinc/66/48/04/800664804.db2.gz HWKPMOZQTFURDU-MSOLQXFVSA-N 1 2 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/nfs/dbraw/zinc/10/60/87/801106087.db2.gz NPCZQAGVPSEEBQ-SFHVURJKSA-N 1 2 335.411 2.003 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001085733858 801147912 /nfs/dbraw/zinc/14/79/12/801147912.db2.gz QZCZHFFSYJQFEK-QRVBRYPASA-N 1 2 341.455 2.406 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001085733858 801147917 /nfs/dbraw/zinc/14/79/17/801147917.db2.gz QZCZHFFSYJQFEK-QRVBRYPASA-N 1 2 341.455 2.406 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CC[C@@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001182450479 801186646 /nfs/dbraw/zinc/18/66/46/801186646.db2.gz XNPKSHNRLKUVED-CYBMUJFWSA-N 1 2 332.448 2.107 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2cnc(C)s2)c1 ZINC001085809834 801329773 /nfs/dbraw/zinc/32/97/73/801329773.db2.gz OPDIDPUAHDUFGD-INIZCTEOSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2cnc(C)s2)c1 ZINC001085809834 801329779 /nfs/dbraw/zinc/32/97/79/801329779.db2.gz OPDIDPUAHDUFGD-INIZCTEOSA-N 1 2 340.452 2.174 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C=CC(C)(C)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2C)CC1 ZINC001113199577 808414788 /nfs/dbraw/zinc/41/47/88/808414788.db2.gz AXAIMUOYYJOWQG-QGZVFWFLSA-N 1 2 346.471 2.091 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC[NH+](Cc2ccc3c(c2)nnn3C)CC1 ZINC001113232226 808502636 /nfs/dbraw/zinc/50/26/36/808502636.db2.gz IJQULQDANRJDOF-CABCVRRESA-N 1 2 341.459 2.071 20 30 EEEDLO C=CCCC1(C(=O)N[C@H](C)[C@H](C)Nc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001113280961 808612322 /nfs/dbraw/zinc/61/23/22/808612322.db2.gz MIIZQMJYYYARMX-OLZOCXBDSA-N 1 2 346.479 2.298 20 30 EEEDLO Cc1cc(N[C@@H](C)[C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)c(C#N)cn1 ZINC001113349696 808760595 /nfs/dbraw/zinc/76/05/95/808760595.db2.gz HVSGIRVELRWMPH-STQMWFEESA-N 1 2 348.410 2.179 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N(C)C1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC001113386979 808858158 /nfs/dbraw/zinc/85/81/58/808858158.db2.gz BKXIDTSPJVDSQH-JEYLPNPQSA-N 1 2 330.432 2.005 20 30 EEEDLO C#CCOCCC(=O)N(C)C1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC001113387419 808859321 /nfs/dbraw/zinc/85/93/21/808859321.db2.gz YCWPZSIZVRXVBP-UHFFFAOYSA-N 1 2 330.432 2.006 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cncn2C)C1 ZINC001086598048 809207711 /nfs/dbraw/zinc/20/77/11/809207711.db2.gz MSXAMMBGDJBGEC-JKSUJKDBSA-N 1 2 344.846 2.370 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cncn2C)C1 ZINC001086598048 809207718 /nfs/dbraw/zinc/20/77/18/809207718.db2.gz MSXAMMBGDJBGEC-JKSUJKDBSA-N 1 2 344.846 2.370 20 30 EEEDLO C=CCCOCC(=O)NC[C@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001113639752 809423128 /nfs/dbraw/zinc/42/31/28/809423128.db2.gz KBBXUEOPHBOSKN-AWEZNQCLSA-N 1 2 346.475 2.197 20 30 EEEDLO C=CCOc1ccccc1C(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001130375547 811529452 /nfs/dbraw/zinc/52/94/52/811529452.db2.gz IKBUOGCEYGVNDY-CYBMUJFWSA-N 1 2 344.415 2.277 20 30 EEEDLO C=CC[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)c1ccncc1 ZINC000806819184 812002675 /nfs/dbraw/zinc/00/26/75/812002675.db2.gz NEYWJUHYYZKLKL-NJAFHUGGSA-N 1 2 344.459 2.203 20 30 EEEDLO CCCCC[C@@H](CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131128214 812418709 /nfs/dbraw/zinc/41/87/09/812418709.db2.gz WXYVRZDCUREQRH-BRWVUGGUSA-N 1 2 345.491 2.434 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@](C)(OC)c1ccccc1F ZINC001437470450 1089799703 /nfs/dbraw/zinc/79/97/03/1089799703.db2.gz GPILRMORAWASNS-INIZCTEOSA-N 1 2 328.815 2.488 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@](C)(OC)c1ccccc1F ZINC001437470450 1089799716 /nfs/dbraw/zinc/79/97/16/1089799716.db2.gz GPILRMORAWASNS-INIZCTEOSA-N 1 2 328.815 2.488 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](OC)c1cccc(OC)c1 ZINC001437498637 1089881234 /nfs/dbraw/zinc/88/12/34/1089881234.db2.gz MDHMHIQCDPEJLE-OAHLLOKOSA-N 1 2 326.824 2.183 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](OC)c1cccc(OC)c1 ZINC001437498637 1089881247 /nfs/dbraw/zinc/88/12/47/1089881247.db2.gz MDHMHIQCDPEJLE-OAHLLOKOSA-N 1 2 326.824 2.183 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccccc1N(C)C(C)=O ZINC001445765362 1091619651 /nfs/dbraw/zinc/61/96/51/1091619651.db2.gz AHDNFZHGIZTMJR-ZDUSSCGKSA-N 1 2 337.851 2.472 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccccc1N(C)C(C)=O ZINC001445765362 1091619657 /nfs/dbraw/zinc/61/96/57/1091619657.db2.gz AHDNFZHGIZTMJR-ZDUSSCGKSA-N 1 2 337.851 2.472 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCC(=O)NCCC)[C@@H]1C ZINC001441907969 1096076727 /nfs/dbraw/zinc/07/67/27/1096076727.db2.gz VBVSOXJQODJWQY-LSDHHAIUSA-N 1 2 343.899 2.405 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCC(=O)NCCC)[C@@H]1C ZINC001441907969 1096076741 /nfs/dbraw/zinc/07/67/41/1096076741.db2.gz VBVSOXJQODJWQY-LSDHHAIUSA-N 1 2 343.899 2.405 20 30 EEEDLO CCn1cc(C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)c(C)n1 ZINC001442537034 1096898843 /nfs/dbraw/zinc/89/88/43/1096898843.db2.gz OAZJZIFLAOIFIW-UHFFFAOYSA-N 1 2 343.406 2.084 20 30 EEEDLO CCn1cc(C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)c(C)n1 ZINC001442537034 1096898846 /nfs/dbraw/zinc/89/88/46/1096898846.db2.gz OAZJZIFLAOIFIW-UHFFFAOYSA-N 1 2 343.406 2.084 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1sc(N(C)C)nc1C ZINC001442729136 1097102364 /nfs/dbraw/zinc/10/23/64/1097102364.db2.gz PIAACXQNOARVPH-UHFFFAOYSA-N 1 2 330.885 2.322 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1sc(N(C)C)nc1C ZINC001442729136 1097102366 /nfs/dbraw/zinc/10/23/66/1097102366.db2.gz PIAACXQNOARVPH-UHFFFAOYSA-N 1 2 330.885 2.322 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)Cc2cc(OC)ccc2OC)C1 ZINC001443591779 1098082926 /nfs/dbraw/zinc/08/29/26/1098082926.db2.gz JBBZHUMHBHXIJQ-UHFFFAOYSA-N 1 2 338.835 2.047 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@](C)(CNC(=O)c2cocn2)C1 ZINC001446655003 1101174805 /nfs/dbraw/zinc/17/48/05/1101174805.db2.gz BBSDGCMVURQMMX-AWEZNQCLSA-N 1 2 342.237 2.415 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@](C)(CNC(=O)c2cocn2)C1 ZINC001446655003 1101174810 /nfs/dbraw/zinc/17/48/10/1101174810.db2.gz BBSDGCMVURQMMX-AWEZNQCLSA-N 1 2 342.237 2.415 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCNC(=O)C1CCCCC1 ZINC001496801075 1101491999 /nfs/dbraw/zinc/49/19/99/1101491999.db2.gz 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RMJONRKSMQLNGS-SFHVURJKSA-N 1 2 329.444 2.264 20 30 EEEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451376479 291301002 /nfs/dbraw/zinc/30/10/02/291301002.db2.gz WVGKRJLHTMQMAD-RYUDHWBXSA-N 1 2 341.864 2.119 20 30 EEEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451376479 291301004 /nfs/dbraw/zinc/30/10/04/291301004.db2.gz WVGKRJLHTMQMAD-RYUDHWBXSA-N 1 2 341.864 2.119 20 30 EEEDLO C=CCCn1cc(C(=O)N(C)CCCc2[nH+]ccn2CCC)nn1 ZINC000424802558 241052482 /nfs/dbraw/zinc/05/24/82/241052482.db2.gz LHJSTRVTPNNFMP-UHFFFAOYSA-N 1 2 330.436 2.166 20 30 EEEDLO CC(C)[C@@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)c1[nH]cc[nH+]1 ZINC000451544046 243149930 /nfs/dbraw/zinc/14/99/30/243149930.db2.gz DDNIWUPYWSGDQU-CQSZACIVSA-N 1 2 336.392 2.237 20 30 EEEDLO N#CCc1ccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c(Cl)c1 ZINC000455704617 244062245 /nfs/dbraw/zinc/06/22/45/244062245.db2.gz NSXZDFZPRQKQFC-AWEZNQCLSA-N 1 2 348.834 2.344 20 30 EEEDLO CCc1ccc(/C=C/C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000491399964 246018817 /nfs/dbraw/zinc/01/88/17/246018817.db2.gz GSWCPUOFVUCURN-CMDGGOBGSA-N 1 2 341.455 2.337 20 30 EEEDLO C#C[C@@H](C)[N@H+](C)Cn1c2cc(Br)c(F)cc2oc1=O ZINC000491555110 246072109 /nfs/dbraw/zinc/07/21/09/246072109.db2.gz OUFZWJXOGZIPKR-MRVPVSSYSA-N 1 2 327.153 2.407 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)Cn1c2cc(Br)c(F)cc2oc1=O ZINC000491555110 246072115 /nfs/dbraw/zinc/07/21/15/246072115.db2.gz OUFZWJXOGZIPKR-MRVPVSSYSA-N 1 2 327.153 2.407 20 30 EEEDLO C#CCn1ccc(CN(CC)C(=O)NCc2cc(C)[nH+]c(C)c2)n1 ZINC000491718439 246125514 /nfs/dbraw/zinc/12/55/14/246125514.db2.gz URLDQVHXEVRSCP-UHFFFAOYSA-N 1 2 325.416 2.260 20 30 EEEDLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@H](CCC#N)c2ccccc2)CCO1 ZINC000495259647 247101945 /nfs/dbraw/zinc/10/19/45/247101945.db2.gz NIKFYAVIQDSJMN-QZTJIDSGSA-N 1 2 344.459 2.441 20 30 EEEDLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H](CCC#N)c2ccccc2)CCO1 ZINC000495259647 247101949 /nfs/dbraw/zinc/10/19/49/247101949.db2.gz NIKFYAVIQDSJMN-QZTJIDSGSA-N 1 2 344.459 2.441 20 30 EEEDLO C#CCN(C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)C1CC1 ZINC000491759694 533080204 /nfs/dbraw/zinc/08/02/04/533080204.db2.gz NZCTUBWBLNXALX-UHFFFAOYSA-N 1 2 335.363 2.437 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C2CC2)CC1 ZINC000491535969 533158900 /nfs/dbraw/zinc/15/89/00/533158900.db2.gz GQFSKBCXQAZDGE-UHFFFAOYSA-N 1 2 342.834 2.084 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)nc1 ZINC000267085823 256025276 /nfs/dbraw/zinc/02/52/76/256025276.db2.gz ZFPMKRRTCQXCQR-UHFFFAOYSA-N 1 2 341.346 2.323 20 30 EEEDLO N#Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000274287069 256370750 /nfs/dbraw/zinc/37/07/50/256370750.db2.gz XCFOMYQWHWLRNK-UHFFFAOYSA-N 1 2 338.367 2.494 20 30 EEEDLO CC1(C)C[NH+]=C(N2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)S1 ZINC000274293090 256371645 /nfs/dbraw/zinc/37/16/45/256371645.db2.gz ZPHXMVXMFWRYIA-UHFFFAOYSA-N 1 2 345.428 2.470 20 30 EEEDLO CC(C)CO[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000119658344 221369152 /nfs/dbraw/zinc/36/91/52/221369152.db2.gz PRKFEECSPJCZIJ-INIZCTEOSA-N 1 2 336.457 2.079 20 30 EEEDLO CC(C)CO[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000119658344 221369156 /nfs/dbraw/zinc/36/91/56/221369156.db2.gz PRKFEECSPJCZIJ-INIZCTEOSA-N 1 2 336.457 2.079 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000491625407 533285759 /nfs/dbraw/zinc/28/57/59/533285759.db2.gz HTLGMUUCMKLKME-NSHDSACASA-N 1 2 331.372 2.216 20 30 EEEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000491625407 533285765 /nfs/dbraw/zinc/28/57/65/533285765.db2.gz HTLGMUUCMKLKME-NSHDSACASA-N 1 2 331.372 2.216 20 30 EEEDLO CCOC(=O)c1cnn(Cc2ccc(-n3cc[nH+]c3)cc2C)c1C#N ZINC000355933382 153208944 /nfs/dbraw/zinc/20/89/44/153208944.db2.gz CIPZNDVRXCNGTJ-UHFFFAOYSA-N 1 2 335.367 2.474 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)COCc3ccco3)CCO2)c1 ZINC000341800406 161014253 /nfs/dbraw/zinc/01/42/53/161014253.db2.gz SDHGZGIQWAUXDN-IEBWSBKVSA-N 1 2 342.395 2.102 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)COCc3ccco3)CCO2)c1 ZINC000341800406 161014254 /nfs/dbraw/zinc/01/42/54/161014254.db2.gz SDHGZGIQWAUXDN-IEBWSBKVSA-N 1 2 342.395 2.102 20 30 EEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000342658189 161081111 /nfs/dbraw/zinc/08/11/11/161081111.db2.gz FREGHBJRHVTJTO-OAHLLOKOSA-N 1 2 345.447 2.099 20 30 EEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000342658189 161081112 /nfs/dbraw/zinc/08/11/12/161081112.db2.gz FREGHBJRHVTJTO-OAHLLOKOSA-N 1 2 345.447 2.099 20 30 EEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000355599858 163244977 /nfs/dbraw/zinc/24/49/77/163244977.db2.gz ONOOOYIRZZUGRA-UHFFFAOYSA-N 1 2 346.799 2.338 20 30 EEEDLO COc1cccc2c1CC[N@H+](CC(=O)NCc1cccc(C#N)c1)C2 ZINC000359849785 164185077 /nfs/dbraw/zinc/18/50/77/164185077.db2.gz RIAGVBZRDNQLMD-UHFFFAOYSA-N 1 2 335.407 2.241 20 30 EEEDLO COc1cccc2c1CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)C2 ZINC000359849785 164185080 /nfs/dbraw/zinc/18/50/80/164185080.db2.gz RIAGVBZRDNQLMD-UHFFFAOYSA-N 1 2 335.407 2.241 20 30 EEEDLO Cc1nc(N2CCN(C(=O)[C@@H](C)c3cccc(C#N)c3)CC2)cc[nH+]1 ZINC000360762232 164375736 /nfs/dbraw/zinc/37/57/36/164375736.db2.gz KGRUKRVHKCCJBW-AWEZNQCLSA-N 1 2 335.411 2.109 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1ccc(C#N)c(C)c1)CCC2 ZINC000368915854 166150879 /nfs/dbraw/zinc/15/08/79/166150879.db2.gz OIYPBIXJMQGCBX-HNNXBMFYSA-N 1 2 344.440 2.228 20 30 EEEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000525193341 270021904 /nfs/dbraw/zinc/02/19/04/270021904.db2.gz INJCJULPVIWBSM-ZDUSSCGKSA-N 1 2 328.391 2.109 20 30 EEEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCC[N@H+]1CCO[C@@H](C)C1 ZINC000525193341 270021905 /nfs/dbraw/zinc/02/19/05/270021905.db2.gz INJCJULPVIWBSM-ZDUSSCGKSA-N 1 2 328.391 2.109 20 30 EEEDLO COC(=O)c1cccc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)c1C#N ZINC000534314800 270022652 /nfs/dbraw/zinc/02/26/52/270022652.db2.gz MNNKRXNCRKGPQH-UHFFFAOYSA-N 1 2 345.443 2.375 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1C#N ZINC000534471162 270022935 /nfs/dbraw/zinc/02/29/35/270022935.db2.gz XACZXINLSZINRF-UONOGXRCSA-N 1 2 342.317 2.232 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1C#N ZINC000534471162 270022936 /nfs/dbraw/zinc/02/29/36/270022936.db2.gz XACZXINLSZINRF-UONOGXRCSA-N 1 2 342.317 2.232 20 30 EEEDLO C[C@H]1CN2CCCC[C@H]2C[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000325302527 267242248 /nfs/dbraw/zinc/24/22/48/267242248.db2.gz NUHUWWGIFDWGSV-YJBOKZPZSA-N 1 2 326.444 2.445 20 30 EEEDLO C[C@H]1CN2CCCC[C@H]2C[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000325302527 267242249 /nfs/dbraw/zinc/24/22/49/267242249.db2.gz NUHUWWGIFDWGSV-YJBOKZPZSA-N 1 2 326.444 2.445 20 30 EEEDLO Cc1ccnc(N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c1C#N ZINC000440655771 268064059 /nfs/dbraw/zinc/06/40/59/268064059.db2.gz WXGPFDWCQFNBDY-GOSISDBHSA-N 1 2 330.432 2.162 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1ccc(C#N)s1 ZINC000435442051 268080653 /nfs/dbraw/zinc/08/06/53/268080653.db2.gz GDZQYMBELCGLDB-UHFFFAOYSA-N 1 2 346.437 2.256 20 30 EEEDLO Cc1nn(C)c(N2CCN(c3[nH+]ccc4ccccc43)CC2)c1C#N ZINC000527980797 268091200 /nfs/dbraw/zinc/09/12/00/268091200.db2.gz FEEBQAKFNVDZGG-UHFFFAOYSA-N 1 2 332.411 2.475 20 30 EEEDLO Cn1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3Cl)CC2)cn1 ZINC000439451231 268126682 /nfs/dbraw/zinc/12/66/82/268126682.db2.gz LMGTVSJTYQBEIZ-UHFFFAOYSA-N 1 2 329.835 2.263 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnn(C4CC4)c3)CC2)cc1 ZINC000527689384 268221324 /nfs/dbraw/zinc/22/13/24/268221324.db2.gz YLZRZLJJAIPROG-UHFFFAOYSA-N 1 2 335.411 2.048 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)C1CC1 ZINC000556818733 318651681 /nfs/dbraw/zinc/65/16/81/318651681.db2.gz LFFRFSVOCXDUIC-HNNXBMFYSA-N 1 2 348.403 2.002 20 30 EEEDLO COc1c(N)[nH+]cnc1N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000567249712 319363736 /nfs/dbraw/zinc/36/37/36/319363736.db2.gz QPOBCTWWBMQPKT-GFCCVEGCSA-N 1 2 342.378 2.159 20 30 EEEDLO COc1c(N)nc[nH+]c1N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000567249712 319363737 /nfs/dbraw/zinc/36/37/37/319363737.db2.gz QPOBCTWWBMQPKT-GFCCVEGCSA-N 1 2 342.378 2.159 20 30 EEEDLO CCOC(=O)[C@H](CC(C)C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000574348471 320017514 /nfs/dbraw/zinc/01/75/14/320017514.db2.gz VXCUPGRCGHDDCB-INIZCTEOSA-N 1 2 330.432 2.053 20 30 EEEDLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000576242364 320154925 /nfs/dbraw/zinc/15/49/25/320154925.db2.gz XGVRMTBFHKTUIV-UHFFFAOYSA-N 1 2 345.428 2.237 20 30 EEEDLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000576242364 320154928 /nfs/dbraw/zinc/15/49/28/320154928.db2.gz XGVRMTBFHKTUIV-UHFFFAOYSA-N 1 2 345.428 2.237 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C(C)C)CC1 ZINC000296104744 465081740 /nfs/dbraw/zinc/08/17/40/465081740.db2.gz UKKWXPUJOLZLOY-UHFFFAOYSA-N 1 2 344.850 2.330 20 30 EEEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000328682802 465098706 /nfs/dbraw/zinc/09/87/06/465098706.db2.gz OXKVYZVOTCKGIH-IMJJTQAJSA-N 1 2 330.432 2.181 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000341330275 465115324 /nfs/dbraw/zinc/11/53/24/465115324.db2.gz JSFUDOIWTYITEP-CQSZACIVSA-N 1 2 330.432 2.010 20 30 EEEDLO N#Cc1cccc(-n2ccc(C(=O)NCc3ccn4cc[nH+]c4c3)n2)c1 ZINC000337030027 465155299 /nfs/dbraw/zinc/15/52/99/465155299.db2.gz CUIOWPFGDZWDMQ-UHFFFAOYSA-N 1 2 342.362 2.322 20 30 EEEDLO Cc1cc2cccnc2c(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000328963269 465184088 /nfs/dbraw/zinc/18/40/88/465184088.db2.gz LJXPZGSOZOKTQN-IAGOWNOFSA-N 1 2 340.427 2.494 20 30 EEEDLO Cc1cc2cccnc2c(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000328963269 465184089 /nfs/dbraw/zinc/18/40/89/465184089.db2.gz LJXPZGSOZOKTQN-IAGOWNOFSA-N 1 2 340.427 2.494 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2CC)C1=O ZINC000337198392 465238583 /nfs/dbraw/zinc/23/85/83/465238583.db2.gz AALQWADCCCFSLO-WMLDXEAASA-N 1 2 329.444 2.295 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccccc2CC)C1=O ZINC000337198392 465238589 /nfs/dbraw/zinc/23/85/89/465238589.db2.gz AALQWADCCCFSLO-WMLDXEAASA-N 1 2 329.444 2.295 20 30 EEEDLO COCC1(C#N)CCN(C(=O)NCc2cn3ccc(C)cc3[nH+]2)CC1 ZINC000341576211 465240783 /nfs/dbraw/zinc/24/07/83/465240783.db2.gz ZFJIRPVDQQINAQ-UHFFFAOYSA-N 1 2 341.415 2.105 20 30 EEEDLO C[N@H+](CCCC1(C#N)CCOCC1)Cc1ncnn1CC(F)F ZINC000337229077 465255240 /nfs/dbraw/zinc/25/52/40/465255240.db2.gz HNAUZDWDXIFDKH-UHFFFAOYSA-N 1 2 327.379 2.076 20 30 EEEDLO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ncnn1CC(F)F ZINC000337229077 465255246 /nfs/dbraw/zinc/25/52/46/465255246.db2.gz HNAUZDWDXIFDKH-UHFFFAOYSA-N 1 2 327.379 2.076 20 30 EEEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C1CCOCC1 ZINC000329193749 465263372 /nfs/dbraw/zinc/26/33/72/465263372.db2.gz RNIPNLLVSWPNLQ-JKSUJKDBSA-N 1 2 348.447 2.338 20 30 EEEDLO COc1ccc(C(=O)N2CC[NH+]([C@@H](C)CCC#N)CC2)cc1OC ZINC000297993736 465276722 /nfs/dbraw/zinc/27/67/22/465276722.db2.gz XDXUQHKUQCOTLF-AWEZNQCLSA-N 1 2 331.416 2.154 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000341994645 465282600 /nfs/dbraw/zinc/28/26/00/465282600.db2.gz RBDSHTJMZOZZTO-AWEZNQCLSA-N 1 2 326.400 2.137 20 30 EEEDLO COCC1(C#N)CC[NH+](Cc2nc(Cc3ccccc3)no2)CC1 ZINC000341997166 465284333 /nfs/dbraw/zinc/28/43/33/465284333.db2.gz VVERUYWYQMSVLT-UHFFFAOYSA-N 1 2 326.400 2.413 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)CCC2 ZINC000329346132 465306412 /nfs/dbraw/zinc/30/64/12/465306412.db2.gz VAZRFWQEGDZMKT-INIZCTEOSA-N 1 2 344.440 2.060 20 30 EEEDLO CCc1ccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1 ZINC000347914742 465307265 /nfs/dbraw/zinc/30/72/65/465307265.db2.gz ILHBFFPRTCVTJG-YWZLYKJASA-N 1 2 332.407 2.489 20 30 EEEDLO CCc1ccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1 ZINC000347914742 465307269 /nfs/dbraw/zinc/30/72/69/465307269.db2.gz ILHBFFPRTCVTJG-YWZLYKJASA-N 1 2 332.407 2.489 20 30 EEEDLO CC1(C)CN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)[C@@H]1[C@H]1CCCO1 ZINC000329544636 465366931 /nfs/dbraw/zinc/36/69/31/465366931.db2.gz GFLUNMUVSYKZCU-SQWLQELKSA-N 1 2 332.448 2.249 20 30 EEEDLO C#CCNC(=O)C1CC[NH+](CC(=O)c2cc(C)n(C3CC3)c2C)CC1 ZINC000491100072 468300952 /nfs/dbraw/zinc/30/09/52/468300952.db2.gz FPPMGXDSSZZJSU-UHFFFAOYSA-N 1 2 341.455 2.084 20 30 EEEDLO C#CCN(C)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2CCCC)c1 ZINC000491105942 468301846 /nfs/dbraw/zinc/30/18/46/468301846.db2.gz WVZIWRZSUVXKQN-UHFFFAOYSA-N 1 2 338.411 2.380 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCc2noc3c2CCCC3)C1 ZINC000329715826 465413870 /nfs/dbraw/zinc/41/38/70/465413870.db2.gz VOYWSFYJZSQECM-GFCCVEGCSA-N 1 2 329.404 2.190 20 30 EEEDLO Cc1cc(CN2CC[NH+](CCOc3ccccc3C#N)CC2)no1 ZINC000060465472 462551470 /nfs/dbraw/zinc/55/14/70/462551470.db2.gz LBQUZFFWRQEIET-UHFFFAOYSA-N 1 2 326.400 2.051 20 30 EEEDLO CCN(CC)c1ccc(CNS(=O)(=O)c2cccc(C#N)c2)c[nH+]1 ZINC000060757200 462565678 /nfs/dbraw/zinc/56/56/78/462565678.db2.gz WYPOAWZMCLEFQG-UHFFFAOYSA-N 1 2 344.440 2.278 20 30 EEEDLO N#Cc1ccsc1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000128009375 462601893 /nfs/dbraw/zinc/60/18/93/462601893.db2.gz MXVBDEWTTFVXBU-UHFFFAOYSA-N 1 2 341.436 2.457 20 30 EEEDLO CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000128530122 462649006 /nfs/dbraw/zinc/64/90/06/462649006.db2.gz QECFMFOZPOEBHD-LBPRGKRZSA-N 1 2 339.399 2.198 20 30 EEEDLO C[C@@H](C#N)CN(C)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000063746712 462667438 /nfs/dbraw/zinc/66/74/38/462667438.db2.gz STFFDEDUZOXVQZ-AWEZNQCLSA-N 1 2 339.399 2.144 20 30 EEEDLO CCn1nnc(C)c1C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000590714550 468315701 /nfs/dbraw/zinc/31/57/01/468315701.db2.gz FJJUDGWHGQAGTK-KRWDZBQOSA-N 1 2 342.422 2.128 20 30 EEEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000075713697 462751794 /nfs/dbraw/zinc/75/17/94/462751794.db2.gz PDSYTODEDZEOQX-CQSZACIVSA-N 1 2 338.411 2.217 20 30 EEEDLO CC[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117777586 462812798 /nfs/dbraw/zinc/81/27/98/462812798.db2.gz QXOOXQHOTOJOIU-KBXCAEBGSA-N 1 2 332.423 2.145 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nc(C(F)(F)F)cs1 ZINC000154849904 462815989 /nfs/dbraw/zinc/81/59/89/462815989.db2.gz HQKVRJLRNVZYEW-UHFFFAOYSA-N 1 2 348.394 2.210 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000521557306 468320491 /nfs/dbraw/zinc/32/04/91/468320491.db2.gz MJRQRZYLGIAWIP-JQHSSLGASA-N 1 2 344.459 2.203 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091084692 462833921 /nfs/dbraw/zinc/83/39/21/462833921.db2.gz JSQMTMFUXMXISG-ZDUSSCGKSA-N 1 2 336.386 2.158 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCN(CC(F)F)CC1 ZINC000091084692 462833927 /nfs/dbraw/zinc/83/39/27/462833927.db2.gz JSQMTMFUXMXISG-ZDUSSCGKSA-N 1 2 336.386 2.158 20 30 EEEDLO C[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000155369212 462881279 /nfs/dbraw/zinc/88/12/79/462881279.db2.gz NYNLZNRGIQHNHU-AWEZNQCLSA-N 1 2 326.400 2.365 20 30 EEEDLO C=CC[N@@H+](CCCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066560913 462903200 /nfs/dbraw/zinc/90/32/00/462903200.db2.gz PMZFMWPBJUDUDW-OAHLLOKOSA-N 1 2 339.457 2.139 20 30 EEEDLO C=CC[N@H+](CCCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066560913 462903206 /nfs/dbraw/zinc/90/32/06/462903206.db2.gz PMZFMWPBJUDUDW-OAHLLOKOSA-N 1 2 339.457 2.139 20 30 EEEDLO C#CCCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000120006100 462951509 /nfs/dbraw/zinc/95/15/09/462951509.db2.gz YNJUICAMXRDHGW-MOPGFXCFSA-N 1 2 326.440 2.292 20 30 EEEDLO C#CCCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000120006100 462951513 /nfs/dbraw/zinc/95/15/13/462951513.db2.gz YNJUICAMXRDHGW-MOPGFXCFSA-N 1 2 326.440 2.292 20 30 EEEDLO C[C@H]1CCCC[C@H]1NC(=O)CO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000067386186 462999201 /nfs/dbraw/zinc/99/92/01/462999201.db2.gz MQPJSMCJRAZOHZ-IINYFYTJSA-N 1 2 325.359 2.297 20 30 EEEDLO COC(=O)C[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CCCC1 ZINC000134239411 463017766 /nfs/dbraw/zinc/01/77/66/463017766.db2.gz MOCNTNYYUIFMQO-UHFFFAOYSA-N 1 2 335.448 2.089 20 30 EEEDLO COC(=O)C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CCCC1 ZINC000134239411 463017768 /nfs/dbraw/zinc/01/77/68/463017768.db2.gz MOCNTNYYUIFMQO-UHFFFAOYSA-N 1 2 335.448 2.089 20 30 EEEDLO C=CCN(CC=C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078316881 463103521 /nfs/dbraw/zinc/10/35/21/463103521.db2.gz AWJSVYBEKIDQJY-SFHVURJKSA-N 1 2 329.444 2.271 20 30 EEEDLO C=CCN(CC=C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078316881 463103529 /nfs/dbraw/zinc/10/35/29/463103529.db2.gz AWJSVYBEKIDQJY-SFHVURJKSA-N 1 2 329.444 2.271 20 30 EEEDLO C=C(C)COCCNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000135010451 463106788 /nfs/dbraw/zinc/10/67/88/463106788.db2.gz HUOBZMAWKYKJIQ-OAHLLOKOSA-N 1 2 341.402 2.459 20 30 EEEDLO C[C@H](O[NH+]=C(N)CCO)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000121343412 463119234 /nfs/dbraw/zinc/11/92/34/463119234.db2.gz HESOISBXEZNYSF-QMMMGPOBSA-N 1 2 344.293 2.488 20 30 EEEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000121397594 463129321 /nfs/dbraw/zinc/12/93/21/463129321.db2.gz MQPYJUZNFANKBO-UHFFFAOYSA-N 1 2 328.166 2.414 20 30 EEEDLO C=CC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000121397594 463129328 /nfs/dbraw/zinc/12/93/28/463129328.db2.gz MQPYJUZNFANKBO-UHFFFAOYSA-N 1 2 328.166 2.414 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000135239810 463131285 /nfs/dbraw/zinc/13/12/85/463131285.db2.gz RHSOJJQAPNVBMY-GOSISDBHSA-N 1 2 342.399 2.368 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000135239810 463131290 /nfs/dbraw/zinc/13/12/90/463131290.db2.gz RHSOJJQAPNVBMY-GOSISDBHSA-N 1 2 342.399 2.368 20 30 EEEDLO CNC(=O)c1cccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000121495302 463145948 /nfs/dbraw/zinc/14/59/48/463145948.db2.gz QLRKQNOXDUHOMC-HXUWFJFHSA-N 1 2 348.450 2.429 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000053440661 463162318 /nfs/dbraw/zinc/16/23/18/463162318.db2.gz XYKNCGSDGMMFNC-INIZCTEOSA-N 1 2 344.459 2.128 20 30 EEEDLO C=CCNC(=O)CN1CC[NH+]([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000026887836 463175441 /nfs/dbraw/zinc/17/54/41/463175441.db2.gz JSVIUJGWIKPUBS-AWEZNQCLSA-N 1 2 344.484 2.277 20 30 EEEDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000029445170 463257123 /nfs/dbraw/zinc/25/71/23/463257123.db2.gz OKJFLONGXSEONB-MRXNPFEDSA-N 1 2 349.438 2.411 20 30 EEEDLO CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029859748 463276193 /nfs/dbraw/zinc/27/61/93/463276193.db2.gz RLPCYRFNNUUYHB-KGLIPLIRSA-N 1 2 332.423 2.123 20 30 EEEDLO CN(C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000039199684 463449170 /nfs/dbraw/zinc/44/91/70/463449170.db2.gz PLYPGQHKMMSBRW-UHFFFAOYSA-N 1 2 348.450 2.339 20 30 EEEDLO CCOC(=O)C1([N@H+](C)CC(=O)N(CC)C[C@H](C)C#N)CCCCC1 ZINC000151203868 463493704 /nfs/dbraw/zinc/49/37/04/463493704.db2.gz HMOOYQGMZQSSAR-OAHLLOKOSA-N 1 2 337.464 2.192 20 30 EEEDLO CCOC(=O)C1([N@@H+](C)CC(=O)N(CC)C[C@H](C)C#N)CCCCC1 ZINC000151203868 463493708 /nfs/dbraw/zinc/49/37/08/463493708.db2.gz HMOOYQGMZQSSAR-OAHLLOKOSA-N 1 2 337.464 2.192 20 30 EEEDLO C[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000151263563 463502876 /nfs/dbraw/zinc/50/28/76/463502876.db2.gz FEYXYLNJVXHJDU-HIFRSBDPSA-N 1 2 330.413 2.027 20 30 EEEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)Nc1ccccc1C(N)=O ZINC000072692847 463534766 /nfs/dbraw/zinc/53/47/66/463534766.db2.gz SIQNIXBGBRMVQL-UHFFFAOYSA-N 1 2 330.432 2.376 20 30 EEEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)Nc1ccccc1C(N)=O ZINC000072692847 463534769 /nfs/dbraw/zinc/53/47/69/463534769.db2.gz SIQNIXBGBRMVQL-UHFFFAOYSA-N 1 2 330.432 2.376 20 30 EEEDLO N#Cc1cccnc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000060102979 463648897 /nfs/dbraw/zinc/64/88/97/463648897.db2.gz FYRSAYVQKSMIAC-UHFFFAOYSA-N 1 2 338.411 2.276 20 30 EEEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CCC(N)=O)C2)c(C#N)c1C ZINC000170734550 463701390 /nfs/dbraw/zinc/70/13/90/463701390.db2.gz GQGYKKJPCGEPAW-TZMCWYRMSA-N 1 2 346.431 2.073 20 30 EEEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CCC(N)=O)C2)c(C#N)c1C ZINC000170734550 463701392 /nfs/dbraw/zinc/70/13/92/463701392.db2.gz GQGYKKJPCGEPAW-TZMCWYRMSA-N 1 2 346.431 2.073 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O)c1 ZINC000185118953 463756277 /nfs/dbraw/zinc/75/62/77/463756277.db2.gz IWHDNUBBNNZPCO-GYCJOSAFSA-N 1 2 349.500 2.249 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)C[S@](C)=O)c1 ZINC000185118953 463756282 /nfs/dbraw/zinc/75/62/82/463756282.db2.gz IWHDNUBBNNZPCO-GYCJOSAFSA-N 1 2 349.500 2.249 20 30 EEEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000178140585 463850985 /nfs/dbraw/zinc/85/09/85/463850985.db2.gz QAEFFPKHMDPQNF-XJKCOSOUSA-N 1 2 333.432 2.416 20 30 EEEDLO COc1ncc(Cl)c(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000269077829 463867988 /nfs/dbraw/zinc/86/79/88/463867988.db2.gz JHHUEPAYPJAGHI-UHFFFAOYSA-N 1 2 343.818 2.332 20 30 EEEDLO C=CCSCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000194485834 463871582 /nfs/dbraw/zinc/87/15/82/463871582.db2.gz UJGIPQUYDYLXLJ-UHFFFAOYSA-N 1 2 332.385 2.430 20 30 EEEDLO COc1ccc(OCCC[N@H+](CCC#N)CCN2CCOCC2)cc1 ZINC000269124778 463883366 /nfs/dbraw/zinc/88/33/66/463883366.db2.gz WZPUMAPVTFODHP-UHFFFAOYSA-N 1 2 347.459 2.012 20 30 EEEDLO COc1ccc(OCCC[N@@H+](CCC#N)CCN2CCOCC2)cc1 ZINC000269124778 463883372 /nfs/dbraw/zinc/88/33/72/463883372.db2.gz WZPUMAPVTFODHP-UHFFFAOYSA-N 1 2 347.459 2.012 20 30 EEEDLO COc1ccc(OCCCN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000269124778 463883376 /nfs/dbraw/zinc/88/33/76/463883376.db2.gz WZPUMAPVTFODHP-UHFFFAOYSA-N 1 2 347.459 2.012 20 30 EEEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)CCCCC#N ZINC000277165198 463896080 /nfs/dbraw/zinc/89/60/80/463896080.db2.gz MAYIYZLVXMYVRZ-UHFFFAOYSA-N 1 2 326.466 2.181 20 30 EEEDLO C[NH+](C)[C@H](CNS(=O)(=O)CCCC#N)c1ccccc1Cl ZINC000171979223 463962212 /nfs/dbraw/zinc/96/22/12/463962212.db2.gz KARXLKKDUAKPJL-CQSZACIVSA-N 1 2 329.853 2.166 20 30 EEEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc([S@](C)=O)cc1 ZINC000178802406 463978880 /nfs/dbraw/zinc/97/88/80/463978880.db2.gz ZELHQWIDCIQNNL-DEOSSOPVSA-N 1 2 341.436 2.366 20 30 EEEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc([S@](C)=O)cc1 ZINC000178802406 463978884 /nfs/dbraw/zinc/97/88/84/463978884.db2.gz ZELHQWIDCIQNNL-DEOSSOPVSA-N 1 2 341.436 2.366 20 30 EEEDLO C#CCn1ccc(CN(CC)C(=O)Cn2c(C)[nH+]c3ccccc32)n1 ZINC000279117185 464041026 /nfs/dbraw/zinc/04/10/26/464041026.db2.gz LNKJOGZQTTUYJN-UHFFFAOYSA-N 1 2 335.411 2.223 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1Cc2ccccc2OC(C)(C)C1)C1CC1 ZINC000289151651 464069381 /nfs/dbraw/zinc/06/93/81/464069381.db2.gz ZPJHFBVOPZMUAK-IBGZPJMESA-N 1 2 327.428 2.468 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1Cc2ccccc2OC(C)(C)C1)C1CC1 ZINC000289151651 464069385 /nfs/dbraw/zinc/06/93/85/464069385.db2.gz ZPJHFBVOPZMUAK-IBGZPJMESA-N 1 2 327.428 2.468 20 30 EEEDLO Cc1nsc(N2CC[NH+](Cc3ccc(CO)cc3)CC2)c1C#N ZINC000289474198 464080829 /nfs/dbraw/zinc/08/08/29/464080829.db2.gz NKDFXMHKMLEQPY-UHFFFAOYSA-N 1 2 328.441 2.138 20 30 EEEDLO C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000279478575 464110657 /nfs/dbraw/zinc/11/06/57/464110657.db2.gz IAAILEFTOKMVGZ-SFHVURJKSA-N 1 2 344.503 2.410 20 30 EEEDLO O=C1C[C@H](C/[NH+]=C/c2ccc(O)c(O)c2O)CN1Cc1ccccc1 ZINC000179366444 464120107 /nfs/dbraw/zinc/12/01/07/464120107.db2.gz WTDDCTKCHSJLEN-DGURAOSJSA-N 1 2 340.379 2.271 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)NCc2cccs2)n1 ZINC000279679122 464126960 /nfs/dbraw/zinc/12/69/60/464126960.db2.gz GJDSWRJHVZSMDY-AWEZNQCLSA-N 1 2 330.457 2.105 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NCc2cccs2)n1 ZINC000279679122 464126963 /nfs/dbraw/zinc/12/69/63/464126963.db2.gz GJDSWRJHVZSMDY-AWEZNQCLSA-N 1 2 330.457 2.105 20 30 EEEDLO N#CCOc1cccc(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000279787269 464147415 /nfs/dbraw/zinc/14/74/15/464147415.db2.gz CHBQMHRWXQSZAG-QGZVFWFLSA-N 1 2 329.400 2.171 20 30 EEEDLO N#CCOc1cccc(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000279787269 464147417 /nfs/dbraw/zinc/14/74/17/464147417.db2.gz CHBQMHRWXQSZAG-QGZVFWFLSA-N 1 2 329.400 2.171 20 30 EEEDLO CC(C)(C)c1noc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292110528 464166560 /nfs/dbraw/zinc/16/65/60/464166560.db2.gz HBLSNQMFXOZOHY-ZDUSSCGKSA-N 1 2 327.388 2.287 20 30 EEEDLO CC(C)(C)c1noc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292110528 464166566 /nfs/dbraw/zinc/16/65/66/464166566.db2.gz HBLSNQMFXOZOHY-ZDUSSCGKSA-N 1 2 327.388 2.287 20 30 EEEDLO C[C@@H](NC(=O)[C@H](C)O[NH+]=C(N)[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000284410408 464181609 /nfs/dbraw/zinc/18/16/09/464181609.db2.gz NNTYIAVEKOMONA-UHIISALHSA-N 1 2 339.823 2.374 20 30 EEEDLO C=C(C)[C@H](CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)OCC ZINC000270159448 464202860 /nfs/dbraw/zinc/20/28/60/464202860.db2.gz YKNHONIIHNBIQF-OALUTQOASA-N 1 2 346.471 2.375 20 30 EEEDLO C=C(C)[C@H](CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)OCC ZINC000270159448 464202869 /nfs/dbraw/zinc/20/28/69/464202869.db2.gz YKNHONIIHNBIQF-OALUTQOASA-N 1 2 346.471 2.375 20 30 EEEDLO N#Cc1cc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c[nH]1 ZINC000179940934 464212755 /nfs/dbraw/zinc/21/27/55/464212755.db2.gz QPNBUOPUERGXLC-UHFFFAOYSA-N 1 2 335.367 2.436 20 30 EEEDLO Cc1nn(C)c(C)c1NC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000329838797 465449334 /nfs/dbraw/zinc/44/93/34/465449334.db2.gz MRIMUKLDNOXHQU-UHFFFAOYSA-N 1 2 330.436 2.498 20 30 EEEDLO C=CCN(C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000271389589 464298039 /nfs/dbraw/zinc/29/80/39/464298039.db2.gz JUCWKXUKDJMUAQ-SFHVURJKSA-N 1 2 329.444 2.247 20 30 EEEDLO C=CCN(C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000271389589 464298045 /nfs/dbraw/zinc/29/80/45/464298045.db2.gz JUCWKXUKDJMUAQ-SFHVURJKSA-N 1 2 329.444 2.247 20 30 EEEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)N2CCc3ccccc32)cs1 ZINC000174114679 464363446 /nfs/dbraw/zinc/36/34/46/464363446.db2.gz BHDLRJVBRVJQOK-NSHDSACASA-N 1 2 344.440 2.261 20 30 EEEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000292984970 464379846 /nfs/dbraw/zinc/37/98/46/464379846.db2.gz BPWXWMDVKGANIT-HNNXBMFYSA-N 1 2 329.444 2.451 20 30 EEEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000292984970 464379852 /nfs/dbraw/zinc/37/98/52/464379852.db2.gz BPWXWMDVKGANIT-HNNXBMFYSA-N 1 2 329.444 2.451 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245759594 464512032 /nfs/dbraw/zinc/51/20/32/464512032.db2.gz PQXQNAPRUQZCGO-GOEBONIOSA-N 1 2 343.475 2.451 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245759594 464512035 /nfs/dbraw/zinc/51/20/35/464512035.db2.gz PQXQNAPRUQZCGO-GOEBONIOSA-N 1 2 343.475 2.451 20 30 EEEDLO C=CC[C@@H](CC)NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000281590114 464515193 /nfs/dbraw/zinc/51/51/93/464515193.db2.gz ZCZQOYKBBVSYSJ-CQSZACIVSA-N 1 2 326.400 2.497 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000294576361 464542014 /nfs/dbraw/zinc/54/20/14/464542014.db2.gz UTXKGZRMYSDRDU-INIZCTEOSA-N 1 2 349.434 2.299 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(OC2CC2)c1F ZINC000596986523 468408370 /nfs/dbraw/zinc/40/83/70/468408370.db2.gz VALCZQKNTSADCJ-UHFFFAOYSA-N 1 2 347.434 2.415 20 30 EEEDLO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nncn1C ZINC000285450343 464568940 /nfs/dbraw/zinc/56/89/40/464568940.db2.gz SLWGQNZZFFKTIP-OAHLLOKOSA-N 1 2 346.822 2.266 20 30 EEEDLO O=C(NCC[NH2+][C@H](CCc1ccccc1)C(F)F)C1N=CC=CC1=O ZINC000272506946 464638189 /nfs/dbraw/zinc/63/81/89/464638189.db2.gz MCFJDEKQVIKBPN-OHTQGHCMSA-N 1 2 349.381 2.369 20 30 EEEDLO N#Cc1c(F)cccc1N1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000568969938 468415671 /nfs/dbraw/zinc/41/56/71/468415671.db2.gz LGPRPGWWLBMAKK-UHFFFAOYSA-N 1 2 338.390 2.388 20 30 EEEDLO N#Cc1c(F)cccc1N1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000568969938 468415678 /nfs/dbraw/zinc/41/56/78/468415678.db2.gz LGPRPGWWLBMAKK-UHFFFAOYSA-N 1 2 338.390 2.388 20 30 EEEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(Cc3cccc(OCC#N)c3)n2)C1 ZINC000272697577 464684643 /nfs/dbraw/zinc/68/46/43/464684643.db2.gz VNCBJGOZMYYCHP-INIZCTEOSA-N 1 2 342.399 2.344 20 30 EEEDLO CC(C)[N@H+]1CCO[C@H](c2noc(Cc3cccc(OCC#N)c3)n2)C1 ZINC000272697577 464684651 /nfs/dbraw/zinc/68/46/51/464684651.db2.gz VNCBJGOZMYYCHP-INIZCTEOSA-N 1 2 342.399 2.344 20 30 EEEDLO C=CCNC(=O)[C@@H](C)N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000272764076 464687573 /nfs/dbraw/zinc/68/75/73/464687573.db2.gz PFRRXTOVSQFLCF-CYBMUJFWSA-N 1 2 328.391 2.060 20 30 EEEDLO CCOc1ccc(O)c(/C=[NH+]/CCCOCCOCCOC)c1 ZINC000274346939 464741498 /nfs/dbraw/zinc/74/14/98/464741498.db2.gz CNYHBAPFKPUPAW-NBVRZTHBSA-N 1 2 325.405 2.280 20 30 EEEDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCC3CCC(C#N)CC3)[nH+]cn2)C1 ZINC000591160143 468417737 /nfs/dbraw/zinc/41/77/37/468417737.db2.gz VTWCKVSHKOOABG-PRLABOORSA-N 1 2 329.448 2.426 20 30 EEEDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCC3CCC(C#N)CC3)nc[nH+]2)C1 ZINC000591160143 468417746 /nfs/dbraw/zinc/41/77/46/468417746.db2.gz VTWCKVSHKOOABG-PRLABOORSA-N 1 2 329.448 2.426 20 30 EEEDLO CC[C@@H](CC#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000183960305 464930489 /nfs/dbraw/zinc/93/04/89/464930489.db2.gz WGGDRSHYJVLKEH-HNNXBMFYSA-N 1 2 339.399 2.334 20 30 EEEDLO CN(C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)[C@@H]1CCC[C@H]1O ZINC000329419213 465327775 /nfs/dbraw/zinc/32/77/75/465327775.db2.gz GNRGXMHEFFXZRV-BFHYXJOUSA-N 1 2 334.464 2.255 20 30 EEEDLO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329564376 465373428 /nfs/dbraw/zinc/37/34/28/465373428.db2.gz KCCXVUVGILMSIJ-ISWURRPUSA-N 1 2 343.427 2.086 20 30 EEEDLO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329564376 465373432 /nfs/dbraw/zinc/37/34/32/465373432.db2.gz KCCXVUVGILMSIJ-ISWURRPUSA-N 1 2 343.427 2.086 20 30 EEEDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000298584500 465440601 /nfs/dbraw/zinc/44/06/01/465440601.db2.gz WDYJTNDQEZSJBY-CQSZACIVSA-N 1 2 331.441 2.068 20 30 EEEDLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000298584500 465440606 /nfs/dbraw/zinc/44/06/06/465440606.db2.gz WDYJTNDQEZSJBY-CQSZACIVSA-N 1 2 331.441 2.068 20 30 EEEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000339740503 465479873 /nfs/dbraw/zinc/47/98/73/465479873.db2.gz JETJSYPIOMLKRM-ZIAGYGMSSA-N 1 2 328.372 2.045 20 30 EEEDLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CC1(C#N)CC1 ZINC000343236495 465492630 /nfs/dbraw/zinc/49/26/30/465492630.db2.gz HZPDMUHBJMACPT-HNNXBMFYSA-N 1 2 344.411 2.470 20 30 EEEDLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CC1(C#N)CC1 ZINC000343236495 465492636 /nfs/dbraw/zinc/49/26/36/465492636.db2.gz HZPDMUHBJMACPT-HNNXBMFYSA-N 1 2 344.411 2.470 20 30 EEEDLO Cc1c[nH+]c(N2CCC(F)(C#N)CC2)nc1N1CCC(F)(C#N)CC1 ZINC000343232423 465493029 /nfs/dbraw/zinc/49/30/29/465493029.db2.gz DFHYLSALMWAUIA-UHFFFAOYSA-N 1 2 346.385 2.449 20 30 EEEDLO CN(CC[NH+]1CCOCC1)C(=O)NC[C@H]1CCC2(CCCCC2)O1 ZINC000330033434 465512489 /nfs/dbraw/zinc/51/24/89/465512489.db2.gz AFIUGVZHUJACPQ-MRXNPFEDSA-N 1 2 339.480 2.046 20 30 EEEDLO Cc1cccc(OCCCNC(=O)C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352467780 465531175 /nfs/dbraw/zinc/53/11/75/465531175.db2.gz NUBTYEYUUZTRFB-UHFFFAOYSA-N 1 2 333.407 2.208 20 30 EEEDLO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CCC(F)(C#N)CC1 ZINC000352489453 465533009 /nfs/dbraw/zinc/53/30/09/465533009.db2.gz AEJDCDFHKMKUFW-NSHDSACASA-N 1 2 336.342 2.190 20 30 EEEDLO C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330102301 465533550 /nfs/dbraw/zinc/53/35/50/465533550.db2.gz FSHQSXNTXNTYIJ-MDZRGWNJSA-N 1 2 332.444 2.454 20 30 EEEDLO C[C@H](C(=O)NCCc1ccccc1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330102301 465533551 /nfs/dbraw/zinc/53/35/51/465533551.db2.gz FSHQSXNTXNTYIJ-MDZRGWNJSA-N 1 2 332.444 2.454 20 30 EEEDLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@@H]21)Nc1ccc2c(c1)OCO2 ZINC000330180395 465559765 /nfs/dbraw/zinc/55/97/65/465559765.db2.gz NJIWYXCMGMLTHO-WFASDCNBSA-N 1 2 336.413 2.210 20 30 EEEDLO O=C(C[N@H+]1CCS[C@H]2COCC[C@@H]21)Nc1ccc2c(c1)OCO2 ZINC000330180395 465559771 /nfs/dbraw/zinc/55/97/71/465559771.db2.gz NJIWYXCMGMLTHO-WFASDCNBSA-N 1 2 336.413 2.210 20 30 EEEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H](C(F)(F)F)O1 ZINC000330211259 465569669 /nfs/dbraw/zinc/56/96/69/465569669.db2.gz IZVQDRYXFTVNCW-SKDRFNHKSA-N 1 2 346.353 2.223 20 30 EEEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H](C(F)(F)F)O1 ZINC000330211259 465569673 /nfs/dbraw/zinc/56/96/73/465569673.db2.gz IZVQDRYXFTVNCW-SKDRFNHKSA-N 1 2 346.353 2.223 20 30 EEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000330313424 465608821 /nfs/dbraw/zinc/60/88/21/465608821.db2.gz OTFOTMAWSUBJFV-NWDGAFQWSA-N 1 2 330.354 2.429 20 30 EEEDLO C[C@@H]1COCC[C@@H]1NC([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000330338040 465619880 /nfs/dbraw/zinc/61/98/80/465619880.db2.gz UVDLZJJXJDNDTA-RDBSUJKOSA-N 1 2 334.464 2.424 20 30 EEEDLO C[C@@H]1COCC[C@@H]1[NH+]=C([O-])N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000330338040 465619887 /nfs/dbraw/zinc/61/98/87/465619887.db2.gz UVDLZJJXJDNDTA-RDBSUJKOSA-N 1 2 334.464 2.424 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cccn2C)CC1 ZINC000371288711 465692036 /nfs/dbraw/zinc/69/20/36/465692036.db2.gz DMGWCHWNVIVFTP-UHFFFAOYSA-N 1 2 326.238 2.128 20 30 EEEDLO Cc1ccc2[nH+]c(CNC(=O)C(=O)Nc3cccc(C)c3C#N)cn2c1 ZINC000357041442 465722594 /nfs/dbraw/zinc/72/25/94/465722594.db2.gz CXGJWSCPCBRTLL-UHFFFAOYSA-N 1 2 347.378 2.078 20 30 EEEDLO CC[C@@H](C)n1nc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1C ZINC000330685300 465762186 /nfs/dbraw/zinc/76/21/86/465762186.db2.gz LELCUGAELHNUEG-CYBMUJFWSA-N 1 2 337.468 2.599 20 30 EEEDLO CC[C@@H](C)n1nc(NC(=O)NCC[N@H+]2CCOCC2(C)C)cc1C ZINC000330685300 465762189 /nfs/dbraw/zinc/76/21/89/465762189.db2.gz LELCUGAELHNUEG-CYBMUJFWSA-N 1 2 337.468 2.599 20 30 EEEDLO C[C@H]([C@H](C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000330956719 465874329 /nfs/dbraw/zinc/87/43/29/465874329.db2.gz HSFNMSNACLLOQX-WDEREUQCSA-N 1 2 340.355 2.169 20 30 EEEDLO CC(=O)Nc1cccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1C ZINC000331334327 466035488 /nfs/dbraw/zinc/03/54/88/466035488.db2.gz IMSJSBMJWPGMLL-UHFFFAOYSA-N 1 2 333.432 2.369 20 30 EEEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)C[C@H]1Cc1ccccc1 ZINC000331496629 466110842 /nfs/dbraw/zinc/11/08/42/466110842.db2.gz SDXSVWOZUQASDP-GOSISDBHSA-N 1 2 335.407 2.263 20 30 EEEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)C[C@H]1Cc1ccccc1 ZINC000331496629 466110845 /nfs/dbraw/zinc/11/08/45/466110845.db2.gz SDXSVWOZUQASDP-GOSISDBHSA-N 1 2 335.407 2.263 20 30 EEEDLO N#CC1(NC(=O)C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)CCC1 ZINC000346898596 466234387 /nfs/dbraw/zinc/23/43/87/466234387.db2.gz HFXSAZPLDNPOJK-KRWDZBQOSA-N 1 2 345.418 2.369 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)CCC1 ZINC000346898596 466234392 /nfs/dbraw/zinc/23/43/92/466234392.db2.gz HFXSAZPLDNPOJK-KRWDZBQOSA-N 1 2 345.418 2.369 20 30 EEEDLO COC(=O)c1cc(C[N@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)oc1C ZINC000357931830 466329423 /nfs/dbraw/zinc/32/94/23/466329423.db2.gz GSGAUNMHZCKITQ-XIKOKIGWSA-N 1 2 349.431 2.249 20 30 EEEDLO COC(=O)c1cc(C[N@@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)oc1C ZINC000357931830 466329430 /nfs/dbraw/zinc/32/94/30/466329430.db2.gz GSGAUNMHZCKITQ-XIKOKIGWSA-N 1 2 349.431 2.249 20 30 EEEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000555800811 468496227 /nfs/dbraw/zinc/49/62/27/468496227.db2.gz CJGXOHGRHRQZPF-MRXNPFEDSA-N 1 2 340.427 2.050 20 30 EEEDLO C=CC[C@H](C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000354416347 466552041 /nfs/dbraw/zinc/55/20/41/466552041.db2.gz CYFUQKAIVNJHFU-XJKSGUPXSA-N 1 2 332.448 2.098 20 30 EEEDLO C=CC[C@H](C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000354416347 466552049 /nfs/dbraw/zinc/55/20/49/466552049.db2.gz CYFUQKAIVNJHFU-XJKSGUPXSA-N 1 2 332.448 2.098 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000369347835 466728146 /nfs/dbraw/zinc/72/81/46/466728146.db2.gz GOCPXJQLTJNGQB-HNNXBMFYSA-N 1 2 344.440 2.169 20 30 EEEDLO C=CC[N@@H+](Cc1cc(Br)ccc1F)[C@@H]1COC[C@H]1O ZINC000411212133 466783324 /nfs/dbraw/zinc/78/33/24/466783324.db2.gz URRIOMFUOQITJY-ZIAGYGMSSA-N 1 2 330.197 2.336 20 30 EEEDLO C=CC[N@H+](Cc1cc(Br)ccc1F)[C@@H]1COC[C@H]1O ZINC000411212133 466783322 /nfs/dbraw/zinc/78/33/22/466783322.db2.gz URRIOMFUOQITJY-ZIAGYGMSSA-N 1 2 330.197 2.336 20 30 EEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCCOCC1 ZINC000374022129 466995617 /nfs/dbraw/zinc/99/56/17/466995617.db2.gz MKCYSCQBMBURBY-OAHLLOKOSA-N 1 2 331.416 2.053 20 30 EEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCCOCC1 ZINC000374022129 466995621 /nfs/dbraw/zinc/99/56/21/466995621.db2.gz MKCYSCQBMBURBY-OAHLLOKOSA-N 1 2 331.416 2.053 20 30 EEEDLO COc1ccccc1C[NH+]1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413120763 467173606 /nfs/dbraw/zinc/17/36/06/467173606.db2.gz RWWNKXGGMJGFML-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO N#Cc1cnc(C(=O)NCC[N@@H+]2CCc3sccc3C2)c(Cl)c1 ZINC000427918968 467186319 /nfs/dbraw/zinc/18/63/19/467186319.db2.gz XUWOHWNHXDABDP-UHFFFAOYSA-N 1 2 346.843 2.456 20 30 EEEDLO N#Cc1cnc(C(=O)NCC[N@H+]2CCc3sccc3C2)c(Cl)c1 ZINC000427918968 467186322 /nfs/dbraw/zinc/18/63/22/467186322.db2.gz XUWOHWNHXDABDP-UHFFFAOYSA-N 1 2 346.843 2.456 20 30 EEEDLO CC[N@H+](CCCNC(=O)C(=O)NCC(C)(C)CC#N)c1ccccc1 ZINC000421007770 467528163 /nfs/dbraw/zinc/52/81/63/467528163.db2.gz GOKLMHYIUIDUBJ-UHFFFAOYSA-N 1 2 344.459 2.075 20 30 EEEDLO CC[N@@H+](CCCNC(=O)C(=O)NCC(C)(C)CC#N)c1ccccc1 ZINC000421007770 467528166 /nfs/dbraw/zinc/52/81/66/467528166.db2.gz GOKLMHYIUIDUBJ-UHFFFAOYSA-N 1 2 344.459 2.075 20 30 EEEDLO C=CC[C@@H]1N(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CCCC1(C)C ZINC000445088362 467584047 /nfs/dbraw/zinc/58/40/47/467584047.db2.gz GDSBDSMQFFYQMG-SJORKVTESA-N 1 2 336.524 2.399 20 30 EEEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000448621569 467596604 /nfs/dbraw/zinc/59/66/04/467596604.db2.gz LFKWIFUZOCANDJ-RDTXWAMCSA-N 1 2 347.846 2.413 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3CC4(CCCC4)OC3=O)C2)nc1 ZINC000496641175 467683036 /nfs/dbraw/zinc/68/30/36/467683036.db2.gz OEDQVDJSFYAFJL-OAHLLOKOSA-N 1 2 342.399 2.129 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3CC4(CCCC4)OC3=O)C2)nc1 ZINC000496641175 467683041 /nfs/dbraw/zinc/68/30/41/467683041.db2.gz OEDQVDJSFYAFJL-OAHLLOKOSA-N 1 2 342.399 2.129 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528733665 467742205 /nfs/dbraw/zinc/74/22/05/467742205.db2.gz NKFUHYWHFWKEBW-CQSZACIVSA-N 1 2 326.444 2.301 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528733665 467742207 /nfs/dbraw/zinc/74/22/07/467742207.db2.gz NKFUHYWHFWKEBW-CQSZACIVSA-N 1 2 326.444 2.301 20 30 EEEDLO C[NH+](C)Cc1csc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)n1 ZINC000457309320 467799069 /nfs/dbraw/zinc/79/90/69/467799069.db2.gz ICJRNFGSPBMNDX-AWEZNQCLSA-N 1 2 339.424 2.397 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1ccccc1Br ZINC000493163147 467853186 /nfs/dbraw/zinc/85/31/86/467853186.db2.gz UJLAWDAOZUJAHN-HVHJFMEUSA-N 1 2 336.233 2.422 20 30 EEEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2nc(C)c(C#N)cc2Cl)C1 ZINC000450541763 467866650 /nfs/dbraw/zinc/86/66/50/467866650.db2.gz SZLNYTZBVGTXQE-LBPRGKRZSA-N 1 2 336.823 2.212 20 30 EEEDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2nc(C)c(C#N)cc2Cl)C1 ZINC000450541763 467866655 /nfs/dbraw/zinc/86/66/55/467866655.db2.gz SZLNYTZBVGTXQE-LBPRGKRZSA-N 1 2 336.823 2.212 20 30 EEEDLO COc1cc2c(cc1OC)C[N@@H+]([C@@H](C)C(=O)NC1(C#N)CCC1)CC2 ZINC000530337535 467976816 /nfs/dbraw/zinc/97/68/16/467976816.db2.gz KHQCCYYZCOPWRJ-ZDUSSCGKSA-N 1 2 343.427 2.013 20 30 EEEDLO COc1cc2c(cc1OC)C[N@H+]([C@@H](C)C(=O)NC1(C#N)CCC1)CC2 ZINC000530337535 467976818 /nfs/dbraw/zinc/97/68/18/467976818.db2.gz KHQCCYYZCOPWRJ-ZDUSSCGKSA-N 1 2 343.427 2.013 20 30 EEEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000589903485 468194190 /nfs/dbraw/zinc/19/41/90/468194190.db2.gz VKLHEBSKLNKEIB-QGZVFWFLSA-N 1 2 345.399 2.162 20 30 EEEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000589903485 468194194 /nfs/dbraw/zinc/19/41/94/468194194.db2.gz VKLHEBSKLNKEIB-QGZVFWFLSA-N 1 2 345.399 2.162 20 30 EEEDLO C#CC[N@@H+](CC)[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000490852056 468256928 /nfs/dbraw/zinc/25/69/28/468256928.db2.gz KOEUSYRISCTICY-NSHDSACASA-N 1 2 347.440 2.486 20 30 EEEDLO C#CC[N@H+](CC)[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000490852056 468256931 /nfs/dbraw/zinc/25/69/31/468256931.db2.gz KOEUSYRISCTICY-NSHDSACASA-N 1 2 347.440 2.486 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCc1c(F)cccc1F ZINC000592072268 468612238 /nfs/dbraw/zinc/61/22/38/468612238.db2.gz SECAVWXAAMJEQL-ZDUSSCGKSA-N 1 2 343.381 2.380 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCc1c(F)cccc1F ZINC000592072268 468612240 /nfs/dbraw/zinc/61/22/40/468612240.db2.gz SECAVWXAAMJEQL-ZDUSSCGKSA-N 1 2 343.381 2.380 20 30 EEEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592509457 468716678 /nfs/dbraw/zinc/71/66/78/468716678.db2.gz WNGORNPVJVCUQO-AWEZNQCLSA-N 1 2 339.321 2.144 20 30 EEEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592509457 468716682 /nfs/dbraw/zinc/71/66/82/468716682.db2.gz WNGORNPVJVCUQO-AWEZNQCLSA-N 1 2 339.321 2.144 20 30 EEEDLO C=CCCC1(C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)CC1 ZINC000571411047 468785844 /nfs/dbraw/zinc/78/58/44/468785844.db2.gz OZYBCFDRTLWRMA-UHFFFAOYSA-N 1 2 327.432 2.392 20 30 EEEDLO Cc1cc(NCc2cc[nH+]c(N3CCSCC3)c2)c(C#N)cn1 ZINC000601239789 468793434 /nfs/dbraw/zinc/79/34/34/468793434.db2.gz BTBBTAQXLRLEFT-UHFFFAOYSA-N 1 2 325.441 2.244 20 30 EEEDLO N#C[C@]1(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)CC12CCCC2 ZINC000598343222 468837719 /nfs/dbraw/zinc/83/77/19/468837719.db2.gz SOTJZKHSGRDYBF-IBGZPJMESA-N 1 2 331.460 2.031 20 30 EEEDLO CCc1cccc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)c1 ZINC000571777226 468839117 /nfs/dbraw/zinc/83/91/17/468839117.db2.gz WJYRUSHVMNBVMI-UHFFFAOYSA-N 1 2 337.423 2.163 20 30 EEEDLO Cc1cccc(N(CCC#N)C(=O)CN2CCn3c[nH+]cc3C2)c1C ZINC000595495815 468875967 /nfs/dbraw/zinc/87/59/67/468875967.db2.gz SYPZTJMWZHYBBO-UHFFFAOYSA-N 1 2 337.427 2.262 20 30 EEEDLO COCC[N@H+](CCC#N)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000610511740 468991162 /nfs/dbraw/zinc/99/11/62/468991162.db2.gz RJTGTERIRBPYDF-GOSISDBHSA-N 1 2 329.444 2.432 20 30 EEEDLO COCC[N@@H+](CCC#N)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000610511740 468991165 /nfs/dbraw/zinc/99/11/65/468991165.db2.gz RJTGTERIRBPYDF-GOSISDBHSA-N 1 2 329.444 2.432 20 30 EEEDLO N#Cc1ccc(Cl)c(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000585817386 469046280 /nfs/dbraw/zinc/04/62/80/469046280.db2.gz JHHFZFHJZUIJPC-CQSZACIVSA-N 1 2 333.819 2.148 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC[NH+]1CCN(C(=O)[C@](C)(C=C)CC)CC1 ZINC000614908835 469092109 /nfs/dbraw/zinc/09/21/09/469092109.db2.gz IVORGBWADAHFDU-WOJBJXKFSA-N 1 2 349.519 2.451 20 30 EEEDLO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[NH2+][C@H](C)CC#N ZINC000602860958 469126505 /nfs/dbraw/zinc/12/65/05/469126505.db2.gz FARWOVMMWCRJQE-OAHLLOKOSA-N 1 2 330.432 2.064 20 30 EEEDLO COC(=O)[C@@H](Cc1ccccc1)[NH2+]CCCC1(C#N)CCOCC1 ZINC000602879733 469138765 /nfs/dbraw/zinc/13/87/65/469138765.db2.gz ZEHBMGPWFZTLEE-QGZVFWFLSA-N 1 2 330.428 2.461 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)[C@@H](C)CN1Cc1ccc(C#N)cn1 ZINC000563350768 469234358 /nfs/dbraw/zinc/23/43/58/469234358.db2.gz QMRDZUDUFQAKQU-IYBDPMFKSA-N 1 2 346.438 2.315 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)[C@@H](C)CN1Cc1ccc(C#N)cn1 ZINC000563350768 469234362 /nfs/dbraw/zinc/23/43/62/469234362.db2.gz QMRDZUDUFQAKQU-IYBDPMFKSA-N 1 2 346.438 2.315 20 30 EEEDLO C[C@@H]1CN(Cc2ccc(C#N)cn2)[C@@H](C)C[N@@H+]1Cc1ccc(C#N)cn1 ZINC000563350768 469234366 /nfs/dbraw/zinc/23/43/66/469234366.db2.gz QMRDZUDUFQAKQU-IYBDPMFKSA-N 1 2 346.438 2.315 20 30 EEEDLO C[C@@H]1CN(Cc2ccc(C#N)cn2)[C@@H](C)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000563350768 469234371 /nfs/dbraw/zinc/23/43/71/469234371.db2.gz QMRDZUDUFQAKQU-IYBDPMFKSA-N 1 2 346.438 2.315 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000611432297 469249065 /nfs/dbraw/zinc/24/90/65/469249065.db2.gz RUQQTCBAKPAFOU-TVFCKZIOSA-N 1 2 334.508 2.330 20 30 EEEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1ccc(C#N)cc1F ZINC000599445857 469260927 /nfs/dbraw/zinc/26/09/27/469260927.db2.gz VVESUNOSBSFXDT-SFHVURJKSA-N 1 2 336.374 2.302 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@@](F)(C#N)C1)c1cccc(F)c1 ZINC000615578053 469272563 /nfs/dbraw/zinc/27/25/63/469272563.db2.gz UGFYJZHPXKCDLG-RHSMWYFYSA-N 1 2 345.353 2.296 20 30 EEEDLO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1CC(=O)NCC#N ZINC000574753629 469279472 /nfs/dbraw/zinc/27/94/72/469279472.db2.gz QFBJEBUKGFBCGU-LBPRGKRZSA-N 1 2 336.233 2.226 20 30 EEEDLO CC[C@H]1Cc2c(Br)cccc2C[N@H+]1CC(=O)NCC#N ZINC000574753629 469279479 /nfs/dbraw/zinc/27/94/79/469279479.db2.gz QFBJEBUKGFBCGU-LBPRGKRZSA-N 1 2 336.233 2.226 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000599671310 469333197 /nfs/dbraw/zinc/33/31/97/469333197.db2.gz PBKIPSGYYUUZGZ-KRWDZBQOSA-N 1 2 330.428 2.183 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000599671310 469333199 /nfs/dbraw/zinc/33/31/99/469333199.db2.gz PBKIPSGYYUUZGZ-KRWDZBQOSA-N 1 2 330.428 2.183 20 30 EEEDLO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c(C)[nH+]1 ZINC000618881421 469460940 /nfs/dbraw/zinc/46/09/40/469460940.db2.gz KZQVIZDDMDHROY-QGZVFWFLSA-N 1 2 334.379 2.312 20 30 EEEDLO COCC[N@H+](CCC#N)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000619073161 469516917 /nfs/dbraw/zinc/51/69/17/469516917.db2.gz IYWDHERPXQRXFP-UHFFFAOYSA-N 1 2 338.415 2.221 20 30 EEEDLO COCC[N@@H+](CCC#N)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000619073161 469516922 /nfs/dbraw/zinc/51/69/22/469516922.db2.gz IYWDHERPXQRXFP-UHFFFAOYSA-N 1 2 338.415 2.221 20 30 EEEDLO Cc1cccn2cc(CCNS(=O)(=O)c3ccc(C#N)s3)[nH+]c12 ZINC000619548024 469636842 /nfs/dbraw/zinc/63/68/42/469636842.db2.gz TXJVJRIJHVNVQU-UHFFFAOYSA-N 1 2 346.437 2.097 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2c(C)cccc2C)nn1 ZINC000640887585 471094815 /nfs/dbraw/zinc/09/48/15/471094815.db2.gz IBKZMANAUCUAPW-OAHLLOKOSA-N 1 2 325.416 2.208 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2csc(Cc3ccccc3)n2)nn1 ZINC000640949383 471133732 /nfs/dbraw/zinc/13/37/32/471133732.db2.gz MCYKUJMENOWKMQ-UHFFFAOYSA-N 1 2 337.452 2.487 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2coc(-c3cccc(OC)c3)n2)nn1 ZINC000641134797 471219167 /nfs/dbraw/zinc/21/91/67/471219167.db2.gz RNDPYRRPZKORTA-UHFFFAOYSA-N 1 2 337.383 2.103 20 30 EEEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000658523101 471316811 /nfs/dbraw/zinc/31/68/11/471316811.db2.gz FNEBNCVZZGWKBO-GJZGRUSLSA-N 1 2 330.432 2.278 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)nn1 ZINC000653603297 471684048 /nfs/dbraw/zinc/68/40/48/471684048.db2.gz GLQCYLHPUKHVFP-KRWDZBQOSA-N 1 2 327.432 2.163 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C)[C@H](C)COC ZINC000661243792 471686980 /nfs/dbraw/zinc/68/69/80/471686980.db2.gz NKZWZHBJBQBUDS-SNVBAGLBSA-N 1 2 348.403 2.007 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C)[C@H](C)COC ZINC000661243792 471686983 /nfs/dbraw/zinc/68/69/83/471686983.db2.gz NKZWZHBJBQBUDS-SNVBAGLBSA-N 1 2 348.403 2.007 20 30 EEEDLO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633659 485607151 /nfs/dbraw/zinc/60/71/51/485607151.db2.gz RYHAKKWTPIRJLM-OAHLLOKOSA-N 1 2 346.500 2.389 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000595828596 485609960 /nfs/dbraw/zinc/60/99/60/485609960.db2.gz LHEUFOYBLXFQBZ-ZDUSSCGKSA-N 1 2 344.242 2.379 20 30 EEEDLO CC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC(=O)N(C)C ZINC000676555937 486256045 /nfs/dbraw/zinc/25/60/45/486256045.db2.gz LGOSBTYXBAWTNJ-UHFFFAOYSA-N 1 2 328.334 2.347 20 30 EEEDLO CC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC(=O)N(C)C ZINC000676555937 486256050 /nfs/dbraw/zinc/25/60/50/486256050.db2.gz LGOSBTYXBAWTNJ-UHFFFAOYSA-N 1 2 328.334 2.347 20 30 EEEDLO COCC#CC[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000677817052 486499499 /nfs/dbraw/zinc/49/94/99/486499499.db2.gz GGBQSRWFCIWLPQ-UHFFFAOYSA-N 1 2 340.345 2.113 20 30 EEEDLO COC(=O)C[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000093458401 533731513 /nfs/dbraw/zinc/73/15/13/533731513.db2.gz GSHJZCDMDCUAPF-KRWDZBQOSA-N 1 2 332.400 2.133 20 30 EEEDLO COC(=O)C[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000093458401 533731516 /nfs/dbraw/zinc/73/15/16/533731516.db2.gz GSHJZCDMDCUAPF-KRWDZBQOSA-N 1 2 332.400 2.133 20 30 EEEDLO Cc1cc(C)c(NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)c(C)[nH+]1 ZINC000411163377 534068543 /nfs/dbraw/zinc/06/85/43/534068543.db2.gz ITHNZVOZOXLFQX-UHFFFAOYSA-N 1 2 336.395 2.476 20 30 EEEDLO COC(=O)Nc1ccc(CNC(=O)C[N@H+](CCC#N)CC2CC2)cc1 ZINC000081515253 534188771 /nfs/dbraw/zinc/18/87/71/534188771.db2.gz MDAUOMOHWIKXQX-UHFFFAOYSA-N 1 2 344.415 2.107 20 30 EEEDLO COC(=O)Nc1ccc(CNC(=O)C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000081515253 534188773 /nfs/dbraw/zinc/18/87/73/534188773.db2.gz MDAUOMOHWIKXQX-UHFFFAOYSA-N 1 2 344.415 2.107 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[S@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000083953715 526529575 /nfs/dbraw/zinc/52/95/75/526529575.db2.gz ZMEOJDLNZPWPQM-QHCPKHFHSA-N 1 2 333.457 2.316 20 30 EEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000171706088 526633479 /nfs/dbraw/zinc/63/34/79/526633479.db2.gz AFQYQCCAUHIREZ-CVEARBPZSA-N 1 2 331.460 2.065 20 30 EEEDLO C#CC[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000192234784 526800464 /nfs/dbraw/zinc/80/04/64/526800464.db2.gz QCGITHPEPGYCPG-INIZCTEOSA-N 1 2 328.412 2.076 20 30 EEEDLO C#CC[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000192234784 526800470 /nfs/dbraw/zinc/80/04/70/526800470.db2.gz QCGITHPEPGYCPG-INIZCTEOSA-N 1 2 328.412 2.076 20 30 EEEDLO C=CCOc1ccc(C[N@@H+](CC)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000179597857 526864201 /nfs/dbraw/zinc/86/42/01/526864201.db2.gz PDQBWMLZHNYELB-OAHLLOKOSA-N 1 2 339.457 2.269 20 30 EEEDLO C=CCOc1ccc(C[N@H+](CC)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000179597857 526864206 /nfs/dbraw/zinc/86/42/06/526864206.db2.gz PDQBWMLZHNYELB-OAHLLOKOSA-N 1 2 339.457 2.269 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000364864936 527184526 /nfs/dbraw/zinc/18/45/26/527184526.db2.gz QNFZLAHUOKZARA-IBGZPJMESA-N 1 2 347.422 2.015 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000364864936 527184529 /nfs/dbraw/zinc/18/45/29/527184529.db2.gz QNFZLAHUOKZARA-IBGZPJMESA-N 1 2 347.422 2.015 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000111125402 527402114 /nfs/dbraw/zinc/40/21/14/527402114.db2.gz SWKPWDXQXGMCJR-IEBWSBKVSA-N 1 2 346.471 2.027 20 30 EEEDLO CC(C)c1nc([C@H]2CCC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)no1 ZINC000360160375 528318402 /nfs/dbraw/zinc/31/84/02/528318402.db2.gz YHYAEBSORWJOEM-SCLBCKFNSA-N 1 2 345.447 2.181 20 30 EEEDLO CC(C)c1nc([C@H]2CCC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)no1 ZINC000360160375 528318407 /nfs/dbraw/zinc/31/84/07/528318407.db2.gz YHYAEBSORWJOEM-SCLBCKFNSA-N 1 2 345.447 2.181 20 30 EEEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)COc1ccc(C#N)cc1 ZINC000727497199 576431827 /nfs/dbraw/zinc/43/18/27/576431827.db2.gz XSYFSRXCGFMVDT-INIZCTEOSA-N 1 2 326.400 2.365 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCCSCc1ccccc1C#N ZINC000730273162 577014139 /nfs/dbraw/zinc/01/41/39/577014139.db2.gz YFIHTVNHRHOBTB-KRWDZBQOSA-N 1 2 327.453 2.005 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCSCc1ccccc1C#N ZINC000730273162 577014142 /nfs/dbraw/zinc/01/41/42/577014142.db2.gz YFIHTVNHRHOBTB-KRWDZBQOSA-N 1 2 327.453 2.005 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCCOC)c(Cl)c1 ZINC000730279701 577015372 /nfs/dbraw/zinc/01/53/72/577015372.db2.gz QZMNULYTMDJPIS-HNNXBMFYSA-N 1 2 336.819 2.401 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCCOC)c(Cl)c1 ZINC000730279701 577015374 /nfs/dbraw/zinc/01/53/74/577015374.db2.gz QZMNULYTMDJPIS-HNNXBMFYSA-N 1 2 336.819 2.401 20 30 EEEDLO C[C@H](OC(=O)c1ccc2[nH+]ccn2c1)C(=O)Nc1cccc(C#N)c1 ZINC000731907011 577132245 /nfs/dbraw/zinc/13/22/45/577132245.db2.gz BLWSZHALEUICGN-LBPRGKRZSA-N 1 2 334.335 2.390 20 30 EEEDLO COc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)c2ccc(OC)cc2)cc1 ZINC000733308085 577221358 /nfs/dbraw/zinc/22/13/58/577221358.db2.gz XZBKPKLZBIMPOB-GFCCVEGCSA-N 1 2 343.383 2.368 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2cc(C)c(F)cc2F)CC1 ZINC000772113658 577252448 /nfs/dbraw/zinc/25/24/48/577252448.db2.gz QABDDGHCTSTHNV-UHFFFAOYSA-N 1 2 335.350 2.344 20 30 EEEDLO C=CCOc1cccnc1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000775137809 577430932 /nfs/dbraw/zinc/43/09/32/577430932.db2.gz YHHOOBHPGMBCNJ-UHFFFAOYSA-N 1 2 335.367 2.157 20 30 EEEDLO FC(F)(F)COCCN[NH+]=Cc1ccc(N2CCOCC2)s1 ZINC000765601583 577503816 /nfs/dbraw/zinc/50/38/16/577503816.db2.gz WGMSACSHDMVUAV-UHFFFAOYSA-N 1 2 337.367 2.087 20 30 EEEDLO NC(=[NH+]OCc1nncn1-c1ccccc1)c1ccc2c(c1)CCO2 ZINC000766711928 577523833 /nfs/dbraw/zinc/52/38/33/577523833.db2.gz VKFNDDAYZWWVFN-UHFFFAOYSA-N 1 2 335.367 2.039 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000766891438 577526527 /nfs/dbraw/zinc/52/65/27/577526527.db2.gz WBPCDPLAMURNJJ-CQSZACIVSA-N 1 2 335.400 2.138 20 30 EEEDLO CC#CCCCC(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000767668126 577542513 /nfs/dbraw/zinc/54/25/13/577542513.db2.gz ULTIWBVGDMNWFR-UHFFFAOYSA-N 1 2 348.468 2.129 20 30 EEEDLO S=C(N[NH+]=Cc1ccc(N2CCOCC2)cc1)Nc1ccccn1 ZINC000767805384 577545260 /nfs/dbraw/zinc/54/52/60/577545260.db2.gz CTROBPPQYUTWIW-UHFFFAOYSA-N 1 2 341.440 2.239 20 30 EEEDLO CC[C@@]1(C)CC(=O)N(C[N@H+](CCOC)Cc2ccc(C#N)cc2)C1=O ZINC000767975188 577548386 /nfs/dbraw/zinc/54/83/86/577548386.db2.gz XXJVJTCPLSCPNU-IBGZPJMESA-N 1 2 343.427 2.139 20 30 EEEDLO CC[C@@]1(C)CC(=O)N(C[N@@H+](CCOC)Cc2ccc(C#N)cc2)C1=O ZINC000767975188 577548387 /nfs/dbraw/zinc/54/83/87/577548387.db2.gz XXJVJTCPLSCPNU-IBGZPJMESA-N 1 2 343.427 2.139 20 30 EEEDLO COc1ccc(NC(=S)NN=Cc2cccc3[nH+]ccn32)cn1 ZINC000771101914 577609836 /nfs/dbraw/zinc/60/98/36/577609836.db2.gz ZKXQSZABEHHCJW-UHFFFAOYSA-N 1 2 326.385 2.058 20 30 EEEDLO Brc1ccc(C=NNc2ccc(-n3cc[nH+]c3)nn2)cn1 ZINC000761858334 577690259 /nfs/dbraw/zinc/69/02/59/577690259.db2.gz UVLYWZLBDCJOJE-UHFFFAOYSA-N 1 2 344.176 2.266 20 30 EEEDLO C#CC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)C1CC1 ZINC000763951392 577728574 /nfs/dbraw/zinc/72/85/74/577728574.db2.gz WNZFFZOJXLFMFG-UHFFFAOYSA-N 1 2 332.425 2.060 20 30 EEEDLO C#CC[N@H+](CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)C1CC1 ZINC000763951392 577728575 /nfs/dbraw/zinc/72/85/75/577728575.db2.gz WNZFFZOJXLFMFG-UHFFFAOYSA-N 1 2 332.425 2.060 20 30 EEEDLO Cc1[nH+]cc(C=NNC(=S)NC[C@@H]2CCCO2)n1-c1ccccc1 ZINC000755521016 577826118 /nfs/dbraw/zinc/82/61/18/577826118.db2.gz KTLTZGXDAOEANW-INIZCTEOSA-N 1 2 343.456 2.158 20 30 EEEDLO Cn1c[nH+]cc1C=NN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O ZINC000755530800 577826394 /nfs/dbraw/zinc/82/63/94/577826394.db2.gz BMYOJQOEORZFAV-UHFFFAOYSA-N 1 2 349.306 2.112 20 30 EEEDLO COC(=O)c1cccc(C[N@H+](C)Cc2cccc(C(N)=O)c2)c1C#N ZINC000756487799 577845012 /nfs/dbraw/zinc/84/50/12/577845012.db2.gz WRNQBRAWAPMKSN-UHFFFAOYSA-N 1 2 337.379 2.076 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2cccc(C(N)=O)c2)c1C#N ZINC000756487799 577845013 /nfs/dbraw/zinc/84/50/13/577845013.db2.gz WRNQBRAWAPMKSN-UHFFFAOYSA-N 1 2 337.379 2.076 20 30 EEEDLO C#Cc1cccc(NC(=S)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000743008582 577879014 /nfs/dbraw/zinc/87/90/14/577879014.db2.gz WIRGSRHFFMJCEZ-QGZVFWFLSA-N 1 2 329.469 2.161 20 30 EEEDLO CC[N@H+](C)[C@@H](C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000745097719 577908969 /nfs/dbraw/zinc/90/89/69/577908969.db2.gz JNPFMWCXLVCLBA-MJGOQNOKSA-N 1 2 343.427 2.031 20 30 EEEDLO CC[N@@H+](C)[C@@H](C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000745097719 577908970 /nfs/dbraw/zinc/90/89/70/577908970.db2.gz JNPFMWCXLVCLBA-MJGOQNOKSA-N 1 2 343.427 2.031 20 30 EEEDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000746677200 577932209 /nfs/dbraw/zinc/93/22/09/577932209.db2.gz CRXNTYRDJOJSTB-MRXNPFEDSA-N 1 2 332.400 2.131 20 30 EEEDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000746677200 577932210 /nfs/dbraw/zinc/93/22/10/577932210.db2.gz CRXNTYRDJOJSTB-MRXNPFEDSA-N 1 2 332.400 2.131 20 30 EEEDLO C[N@H+](CC#Cc1ccc(F)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000746851523 577934805 /nfs/dbraw/zinc/93/48/05/577934805.db2.gz TZLVZVHEFFHUAX-AWEZNQCLSA-N 1 2 328.309 2.272 20 30 EEEDLO C[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000746851523 577934806 /nfs/dbraw/zinc/93/48/06/577934806.db2.gz TZLVZVHEFFHUAX-AWEZNQCLSA-N 1 2 328.309 2.272 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCCC[N@@H+]2Cc2ccon2)cn1 ZINC000969122074 674603081 /nfs/dbraw/zinc/60/30/81/674603081.db2.gz WFGOWXSCBPQWMV-SFHVURJKSA-N 1 2 338.411 2.226 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCCC[N@H+]2Cc2ccon2)cn1 ZINC000969122074 674603083 /nfs/dbraw/zinc/60/30/83/674603083.db2.gz WFGOWXSCBPQWMV-SFHVURJKSA-N 1 2 338.411 2.226 20 30 EEEDLO C[C@@H](NC(=O)c1ccccn1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969199629 674688852 /nfs/dbraw/zinc/68/88/52/674688852.db2.gz WHFLLGRMXJLYCJ-CYBMUJFWSA-N 1 2 338.386 2.343 20 30 EEEDLO Cc1ncoc1C(=O)N[C@H](C)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000969456788 675048503 /nfs/dbraw/zinc/04/85/03/675048503.db2.gz RZVBTLCUWJXGPD-CYBMUJFWSA-N 1 2 341.386 2.224 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ncnc3sccc32)C1 ZINC000969699454 675169896 /nfs/dbraw/zinc/16/98/96/675169896.db2.gz JXLRALYXPXQJFQ-SNVBAGLBSA-N 1 2 336.848 2.494 20 30 EEEDLO Cc1nc(C(=O)N[C@H](C)C2C[NH+](Cc3ccccc3C#N)C2)c(C)o1 ZINC000970639618 676042341 /nfs/dbraw/zinc/04/23/41/676042341.db2.gz IDOMISUOIFRMLN-GFCCVEGCSA-N 1 2 338.411 2.413 20 30 EEEDLO C[C@@H](NC(=O)c1ncccc1F)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970649184 676050930 /nfs/dbraw/zinc/05/09/30/676050930.db2.gz MPNQXYHMSVQGKW-CYBMUJFWSA-N 1 2 338.386 2.343 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2n[nH]c3c2C[C@@H](C)CC3)C1 ZINC000970669449 676065572 /nfs/dbraw/zinc/06/55/72/676065572.db2.gz VPGYAASPUCFSBM-CMPLNLGQSA-N 1 2 336.867 2.337 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2n[nH]c3c2C[C@H](C)CC3)C1 ZINC000970669452 676065595 /nfs/dbraw/zinc/06/55/95/676065595.db2.gz VPGYAASPUCFSBM-ZYHUDNBSSA-N 1 2 336.867 2.337 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2Cc3c(cccc3C)O2)C1 ZINC000970752159 676126136 /nfs/dbraw/zinc/12/61/36/676126136.db2.gz NSKLQWSPXTUOLC-GUYCJALGSA-N 1 2 334.847 2.488 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC000970823617 676183345 /nfs/dbraw/zinc/18/33/45/676183345.db2.gz NVJISAKDDABPKC-DYVFJYSZSA-N 1 2 334.847 2.317 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc3c(c2)nnn3CC)C1 ZINC000970864611 676204300 /nfs/dbraw/zinc/20/43/00/676204300.db2.gz BCWKCRMITDYSRT-LBPRGKRZSA-N 1 2 347.850 2.254 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3ccncc3n2)C1 ZINC000970166710 675610292 /nfs/dbraw/zinc/61/02/92/675610292.db2.gz JGIAPSNAHZSADF-GFCCVEGCSA-N 1 2 330.819 2.432 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC000970202292 675704230 /nfs/dbraw/zinc/70/42/30/675704230.db2.gz SCHYQTXOUPAEGF-LLVKDONJSA-N 1 2 347.850 2.323 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970360258 675814719 /nfs/dbraw/zinc/81/47/19/675814719.db2.gz DCSMDZSLXJNFPN-NSHDSACASA-N 1 2 342.374 2.244 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970362418 675816790 /nfs/dbraw/zinc/81/67/90/675816790.db2.gz XBRDHGONVWSIAB-NSHDSACASA-N 1 2 342.374 2.244 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)C[C@H]2CCCO2)C1 ZINC000971105780 676376478 /nfs/dbraw/zinc/37/64/78/676376478.db2.gz BBNSGEBJFZNXPL-QZTJIDSGSA-N 1 2 345.418 2.299 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)C[C@H]2CCCO2)C1 ZINC000971105780 676376481 /nfs/dbraw/zinc/37/64/81/676376481.db2.gz BBNSGEBJFZNXPL-QZTJIDSGSA-N 1 2 345.418 2.299 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cncc(F)c2)C1 ZINC000971325657 676485410 /nfs/dbraw/zinc/48/54/10/676485410.db2.gz DJRTZNLIMRNLRL-CYBMUJFWSA-N 1 2 342.212 2.276 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2cncc(F)c2)C1 ZINC000971325657 676485411 /nfs/dbraw/zinc/48/54/11/676485411.db2.gz DJRTZNLIMRNLRL-CYBMUJFWSA-N 1 2 342.212 2.276 20 30 EEEDLO CCn1c[nH+]c2c1CCN(Cc1nnc(-c3ccc(C#N)cc3)o1)C2 ZINC000933259936 676532097 /nfs/dbraw/zinc/53/20/97/676532097.db2.gz VCXWMNGSQZHOIO-UHFFFAOYSA-N 1 2 334.383 2.383 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CCCOCC2)s1 ZINC001038217925 676705641 /nfs/dbraw/zinc/70/56/41/676705641.db2.gz RITURDJADVFXDX-KBPBESRZSA-N 1 2 333.457 2.127 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CCCOCC2)s1 ZINC001038217925 676705642 /nfs/dbraw/zinc/70/56/42/676705642.db2.gz RITURDJADVFXDX-KBPBESRZSA-N 1 2 333.457 2.127 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC000972373541 678620952 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346.475 2.230 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2cccc(NC(C)=O)c2)CC1 ZINC000989527312 692009206 /nfs/dbraw/zinc/00/92/06/692009206.db2.gz JOPKATADNOFGRW-UHFFFAOYSA-N 1 2 349.862 2.474 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2cccc(NC(C)=O)c2)CC1 ZINC000989527312 692009211 /nfs/dbraw/zinc/00/92/11/692009211.db2.gz JOPKATADNOFGRW-UHFFFAOYSA-N 1 2 349.862 2.474 20 30 EEEDLO O=C(Cc1ccc[nH]1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000989703902 692194461 /nfs/dbraw/zinc/19/44/61/692194461.db2.gz LLJOUKSFNDRPQF-UHFFFAOYSA-N 1 2 339.414 2.282 20 30 EEEDLO O=C(Cc1ccc[nH]1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000989703902 692194466 /nfs/dbraw/zinc/19/44/66/692194466.db2.gz LLJOUKSFNDRPQF-UHFFFAOYSA-N 1 2 339.414 2.282 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2nccn3cc(C)nc23)C(C)(C)C1 ZINC000977488101 692675773 /nfs/dbraw/zinc/67/57/73/692675773.db2.gz RGLJGAPJUPAKJZ-ZDUSSCGKSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2nccn3cc(C)nc23)C(C)(C)C1 ZINC000977488101 692675774 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345.281 2.289 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2CC)[C@H]1C ZINC001088760250 1188471672 /nfs/dbraw/zinc/47/16/72/1188471672.db2.gz SVOAOLIHNTVZCF-MQYQWHSLSA-N 1 2 345.281 2.289 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001076691438 1189111326 /nfs/dbraw/zinc/11/13/26/1189111326.db2.gz YWCIEFIJUOLFFB-UONOGXRCSA-N 1 2 346.475 2.443 20 30 EEEDLO C=CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001076712025 1189122214 /nfs/dbraw/zinc/12/22/14/1189122214.db2.gz RRQRKZLUKNYYRC-CABCVRRESA-N 1 2 346.475 2.346 20 30 EEEDLO C=CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001076712025 1189122217 /nfs/dbraw/zinc/12/22/17/1189122217.db2.gz RRQRKZLUKNYYRC-CABCVRRESA-N 1 2 346.475 2.346 20 30 EEEDLO O=C(CC1=CCCCC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076811957 1189176897 /nfs/dbraw/zinc/17/68/97/1189176897.db2.gz YAIHOGHMGKBDCZ-WOJBJXKFSA-N 1 2 338.451 2.090 20 30 EEEDLO O=C(CC1=CCCCC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076811957 1189176900 /nfs/dbraw/zinc/17/69/00/1189176900.db2.gz YAIHOGHMGKBDCZ-WOJBJXKFSA-N 1 2 338.451 2.090 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001077143648 1189356829 /nfs/dbraw/zinc/35/68/29/1189356829.db2.gz DAOGQPGOCPVGRV-AWEZNQCLSA-N 1 2 334.464 2.294 20 30 EEEDLO CCCCCCC[N@@H+]1C[C@]2(F)CN(COCCOC)C(=O)[C@]2(F)C1 ZINC001272476938 1190842049 /nfs/dbraw/zinc/84/20/49/1190842049.db2.gz UFITYZBPUQCWDB-DLBZAZTESA-N 1 2 348.434 2.152 20 30 EEEDLO CCCCCCC[N@H+]1C[C@]2(F)CN(COCCOC)C(=O)[C@]2(F)C1 ZINC001272476938 1190842051 /nfs/dbraw/zinc/84/20/51/1190842051.db2.gz UFITYZBPUQCWDB-DLBZAZTESA-N 1 2 348.434 2.152 20 30 EEEDLO C=C(C)CN1CC2(C[NH+](Cc3c(C)[nH]c4ccccc43)C2)OCC1=O ZINC001272988392 1194297319 /nfs/dbraw/zinc/29/73/19/1194297319.db2.gz QUMYGRVWJHEQCC-UHFFFAOYSA-N 1 2 339.439 2.466 20 30 EEEDLO Cc1cc(C)cc(C[NH+]2CC3(C2)CN(CCCC#N)C(=O)CO3)c1 ZINC001273005038 1194310439 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C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(NC(N)=O)c2)C1 ZINC001033650411 1195016406 /nfs/dbraw/zinc/01/64/06/1195016406.db2.gz IHYHLKCBDIIYPL-AWEZNQCLSA-N 1 2 336.823 2.076 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(NC(N)=O)c2)C1 ZINC001033650411 1195016409 /nfs/dbraw/zinc/01/64/09/1195016409.db2.gz IHYHLKCBDIIYPL-AWEZNQCLSA-N 1 2 336.823 2.076 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001033669581 1195034601 /nfs/dbraw/zinc/03/46/01/1195034601.db2.gz ZLKDYHCMXTXRTK-CYBMUJFWSA-N 1 2 345.274 2.439 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1OCC[C@@H]1c1ccccc1 ZINC001018050998 1224261408 /nfs/dbraw/zinc/26/14/08/1224261408.db2.gz DEYSJNVOHAIPGK-IYWMVGAKSA-N 1 2 338.451 2.258 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1OCC[C@@H]1c1ccccc1 ZINC001018050998 1224261417 /nfs/dbraw/zinc/26/14/17/1224261417.db2.gz DEYSJNVOHAIPGK-IYWMVGAKSA-N 1 2 338.451 2.258 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCn3nccc32)C1 ZINC001033881323 1195437802 /nfs/dbraw/zinc/43/78/02/1195437802.db2.gz PRFGCGXRAVTFGD-CABCVRRESA-N 1 2 336.867 2.436 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCn3nccc32)C1 ZINC001033881323 1195437806 /nfs/dbraw/zinc/43/78/06/1195437806.db2.gz PRFGCGXRAVTFGD-CABCVRRESA-N 1 2 336.867 2.436 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCCC[N@H+](Cc2ccon2)C1 ZINC001034247156 1195979898 /nfs/dbraw/zinc/97/98/98/1195979898.db2.gz KTVTYNYYMAOOPE-HNNXBMFYSA-N 1 2 328.416 2.447 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccon2)C1 ZINC001034247156 1195979901 /nfs/dbraw/zinc/97/99/01/1195979901.db2.gz KTVTYNYYMAOOPE-HNNXBMFYSA-N 1 2 328.416 2.447 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001034257562 1196001442 /nfs/dbraw/zinc/00/14/42/1196001442.db2.gz KZSIVGKCDOWWLN-LBPRGKRZSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001034257562 1196001445 /nfs/dbraw/zinc/00/14/45/1196001445.db2.gz KZSIVGKCDOWWLN-LBPRGKRZSA-N 1 2 333.823 2.295 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3nonc3C)C2)cc1 ZINC001034340250 1196112972 /nfs/dbraw/zinc/11/29/72/1196112972.db2.gz MZANVJKXKDFXLC-QGZVFWFLSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](Cc3nonc3C)C2)cc1 ZINC001034340250 1196112974 /nfs/dbraw/zinc/11/29/74/1196112974.db2.gz MZANVJKXKDFXLC-QGZVFWFLSA-N 1 2 338.411 2.144 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC001034462659 1196241563 /nfs/dbraw/zinc/24/15/63/1196241563.db2.gz LANULOZNSIKEOX-ZFWWWQNUSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC001034462659 1196241565 /nfs/dbraw/zinc/24/15/65/1196241565.db2.gz LANULOZNSIKEOX-ZFWWWQNUSA-N 1 2 345.281 2.292 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001078972342 1196494280 /nfs/dbraw/zinc/49/42/80/1196494280.db2.gz VHWWNDBLNOTVQQ-DOTOQJQBSA-N 1 2 346.475 2.394 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001078972342 1196494283 /nfs/dbraw/zinc/49/42/83/1196494283.db2.gz VHWWNDBLNOTVQQ-DOTOQJQBSA-N 1 2 346.475 2.394 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001108152168 1196681715 /nfs/dbraw/zinc/68/17/15/1196681715.db2.gz AWCXVAGQRASDKU-YWZLYKJASA-N 1 2 342.439 2.027 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001108152168 1196681718 /nfs/dbraw/zinc/68/17/18/1196681718.db2.gz AWCXVAGQRASDKU-YWZLYKJASA-N 1 2 342.439 2.027 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OC(C)C)n1 ZINC001018121713 1224361633 /nfs/dbraw/zinc/36/16/33/1224361633.db2.gz IMJKXKWQVLIYIR-IYBDPMFKSA-N 1 2 327.428 2.181 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OC(C)C)n1 ZINC001018121713 1224361642 /nfs/dbraw/zinc/36/16/42/1224361642.db2.gz IMJKXKWQVLIYIR-IYBDPMFKSA-N 1 2 327.428 2.181 20 30 EEEDLO C=C(C)CCC(=O)NC1(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CCC1 ZINC001063492731 1197443524 /nfs/dbraw/zinc/44/35/24/1197443524.db2.gz SXTCAMROHNOPKF-UHFFFAOYSA-N 1 2 346.475 2.438 20 30 EEEDLO COc1c(C)c[nH+]c(CNC(=O)Nc2cc(CC#N)ccn2)c1C ZINC000871722532 1197855861 /nfs/dbraw/zinc/85/58/61/1197855861.db2.gz MQSXRXLBUSXKHS-UHFFFAOYSA-N 1 2 325.372 2.490 20 30 EEEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1n[nH]c2ccc(OC)cc12 ZINC001273290984 1197962205 /nfs/dbraw/zinc/96/22/05/1197962205.db2.gz LUUFXRXNPPYOKC-QZTJIDSGSA-N 1 2 340.427 2.323 20 30 EEEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1n[nH]c2ccc(OC)cc12 ZINC001273290984 1197962208 /nfs/dbraw/zinc/96/22/08/1197962208.db2.gz LUUFXRXNPPYOKC-QZTJIDSGSA-N 1 2 340.427 2.323 20 30 EEEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cnc(Cl)nc1NC)CC2 ZINC001273373694 1198386697 /nfs/dbraw/zinc/38/66/97/1198386697.db2.gz FRNNMMNKZOBBBT-CYBMUJFWSA-N 1 2 349.866 2.076 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(C)cc1OC ZINC001018244811 1224519818 /nfs/dbraw/zinc/51/98/18/1224519818.db2.gz DQKGQVSCENZNFQ-CALCHBBNSA-N 1 2 342.439 2.081 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(C)cc1OC ZINC001018244811 1224519822 /nfs/dbraw/zinc/51/98/22/1224519822.db2.gz DQKGQVSCENZNFQ-CALCHBBNSA-N 1 2 342.439 2.081 20 30 EEEDLO COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)C#CC(C)C)CC[C@H]1C ZINC001132017008 1199212678 /nfs/dbraw/zinc/21/26/78/1199212678.db2.gz LXYDDBKWZQHMAR-WBVHZDCISA-N 1 2 329.444 2.219 20 30 EEEDLO COc1ncccc1C[N@H+]1C[C@@H](NC(=O)C#CC(C)C)CC[C@H]1C ZINC001132017008 1199212680 /nfs/dbraw/zinc/21/26/80/1199212680.db2.gz LXYDDBKWZQHMAR-WBVHZDCISA-N 1 2 329.444 2.219 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CNC(=O)C2CCCC2)CC[C@@H]1C ZINC001132060173 1199247336 /nfs/dbraw/zinc/24/73/36/1199247336.db2.gz AVIKHHBULRTTRX-ZFWWWQNUSA-N 1 2 341.883 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)C2CCCC2)CC[C@@H]1C ZINC001132060173 1199247338 /nfs/dbraw/zinc/24/73/38/1199247338.db2.gz AVIKHHBULRTTRX-ZFWWWQNUSA-N 1 2 341.883 2.014 20 30 EEEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C2(C)CCCCCC2)CC[C@@H]1C ZINC001132105193 1199310971 /nfs/dbraw/zinc/31/09/71/1199310971.db2.gz CFYXJMSPODGPSX-IRXDYDNUSA-N 1 2 347.503 2.065 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2(C)CCCCCC2)CC[C@@H]1C ZINC001132105193 1199310979 /nfs/dbraw/zinc/31/09/79/1199310979.db2.gz CFYXJMSPODGPSX-IRXDYDNUSA-N 1 2 347.503 2.065 20 30 EEEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC001132226772 1199466943 /nfs/dbraw/zinc/46/69/43/1199466943.db2.gz NYFSPLLKTHYYDU-ZDUSSCGKSA-N 1 2 340.427 2.429 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nsc(N(C)C)n1 ZINC001134469466 1199588307 /nfs/dbraw/zinc/58/83/07/1199588307.db2.gz CPRBUBOSTRXKTE-OLZOCXBDSA-N 1 2 339.509 2.333 20 30 EEEDLO C#CCCCCCC(=O)NCC[NH2+]Cc1nnc(C(F)F)s1 ZINC001132402689 1199660783 /nfs/dbraw/zinc/66/07/83/1199660783.db2.gz VVVGQNFKGBNGDB-UHFFFAOYSA-N 1 2 330.404 2.265 20 30 EEEDLO C#C[C@@H](CCC)NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000812039671 1200473834 /nfs/dbraw/zinc/47/38/34/1200473834.db2.gz SEQCPQVIBIPIQK-RBUKOAKNSA-N 1 2 343.471 2.031 20 30 EEEDLO CCc1nnc(C)cc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001014989060 1224620984 /nfs/dbraw/zinc/62/09/84/1224620984.db2.gz BTDHIOZNROELCP-SFHVURJKSA-N 1 2 348.450 2.203 20 30 EEEDLO CCc1nnc(C)cc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001014989060 1224620987 /nfs/dbraw/zinc/62/09/87/1224620987.db2.gz BTDHIOZNROELCP-SFHVURJKSA-N 1 2 348.450 2.203 20 30 EEEDLO C=CCCC1(C(=O)NCC[NH2+]Cc2csc(NC(C)=O)n2)CC1 ZINC001133379185 1200817049 /nfs/dbraw/zinc/81/70/49/1200817049.db2.gz WALKBEDLFKCCEJ-UHFFFAOYSA-N 1 2 336.461 2.054 20 30 EEEDLO Cc1cc(N2C[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C2)nc(C2CC2)[nH+]1 ZINC001114438899 1201951166 /nfs/dbraw/zinc/95/11/66/1201951166.db2.gz CRYQFSXVYWKYOG-FZMZJTMJSA-N 1 2 327.432 2.153 20 30 EEEDLO Cc1cnc(F)c(C[N@@H+]2CCC[C@]23CCN(CCCC#N)C3=O)c1 ZINC001274030663 1204337028 /nfs/dbraw/zinc/33/70/28/1204337028.db2.gz UHSPWIYDRAISOV-GOSISDBHSA-N 1 2 330.407 2.400 20 30 EEEDLO Cc1cnc(F)c(C[N@H+]2CCC[C@]23CCN(CCCC#N)C3=O)c1 ZINC001274030663 1204337030 /nfs/dbraw/zinc/33/70/30/1204337030.db2.gz UHSPWIYDRAISOV-GOSISDBHSA-N 1 2 330.407 2.400 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)c(F)c(OC)c2)C1=O ZINC001274327366 1204999778 /nfs/dbraw/zinc/99/97/78/1204999778.db2.gz DVTKSHMGNVYETL-SFHVURJKSA-N 1 2 334.366 2.174 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)c(F)c(OC)c2)C1=O ZINC001274327366 1204999781 /nfs/dbraw/zinc/99/97/81/1204999781.db2.gz DVTKSHMGNVYETL-SFHVURJKSA-N 1 2 334.366 2.174 20 30 EEEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C#N)ccc1O)CC2 ZINC001274667645 1205125004 /nfs/dbraw/zinc/12/50/04/1205125004.db2.gz PYPLJYHSJOWCIR-INIZCTEOSA-N 1 2 325.412 2.168 20 30 EEEDLO N#Cc1cc(F)ccc1CN1C[C@@H]2C[N@@H+](Cc3ccc[nH]3)C[C@H](C1)O2 ZINC001275425068 1205355013 /nfs/dbraw/zinc/35/50/13/1205355013.db2.gz KMBPALWOKLMWCM-KDURUIRLSA-N 1 2 340.402 2.111 20 30 EEEDLO N#Cc1cc(F)ccc1CN1C[C@@H]2C[N@H+](Cc3ccc[nH]3)C[C@H](C1)O2 ZINC001275425068 1205355014 /nfs/dbraw/zinc/35/50/14/1205355014.db2.gz KMBPALWOKLMWCM-KDURUIRLSA-N 1 2 340.402 2.111 20 30 EEEDLO Cc1cc(N(C)CCCNC(=O)c2cc(C#N)c[nH]2)nc(C2CC2)[nH+]1 ZINC001095524844 1205856456 /nfs/dbraw/zinc/85/64/56/1205856456.db2.gz QOIZORCCTMWHCI-UHFFFAOYSA-N 1 2 338.415 2.119 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ocnc2C)C[C@H]1C ZINC000947174064 1208401897 /nfs/dbraw/zinc/40/18/97/1208401897.db2.gz DTGOWTMXAOFKMB-ZYHUDNBSSA-N 1 2 342.237 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ocnc2C)C[C@H]1C ZINC000947174064 1208401899 /nfs/dbraw/zinc/40/18/99/1208401899.db2.gz DTGOWTMXAOFKMB-ZYHUDNBSSA-N 1 2 342.237 2.474 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2CC)C1 ZINC000948522876 1209195263 /nfs/dbraw/zinc/19/52/63/1209195263.db2.gz RVOTZSBLLVKWEN-LSDHHAIUSA-N 1 2 344.459 2.052 20 30 EEEDLO C=CCOCC(=O)NC[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111274802 1209197508 /nfs/dbraw/zinc/19/75/08/1209197508.db2.gz HKLQYIHTEKSGDB-WKILWMFISA-N 1 2 332.448 2.322 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cncnc1C ZINC000948890546 1209439977 /nfs/dbraw/zinc/43/99/77/1209439977.db2.gz RVTLJXZKXNFABO-IBGZPJMESA-N 1 2 334.423 2.138 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cncnc1C ZINC000948890546 1209439979 /nfs/dbraw/zinc/43/99/79/1209439979.db2.gz RVTLJXZKXNFABO-IBGZPJMESA-N 1 2 334.423 2.138 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cn(C)nc1C ZINC000948899365 1209443491 /nfs/dbraw/zinc/44/34/91/1209443491.db2.gz VMMHYQPZZIFMJL-LJQANCHMSA-N 1 2 336.439 2.081 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cn(C)nc1C ZINC000948899365 1209443494 /nfs/dbraw/zinc/44/34/94/1209443494.db2.gz VMMHYQPZZIFMJL-LJQANCHMSA-N 1 2 336.439 2.081 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000948902002 1209444305 /nfs/dbraw/zinc/44/43/05/1209444305.db2.gz JUZYWICQOZOIPF-LJQANCHMSA-N 1 2 332.407 2.239 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000948902002 1209444307 /nfs/dbraw/zinc/44/43/07/1209444307.db2.gz JUZYWICQOZOIPF-LJQANCHMSA-N 1 2 332.407 2.239 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CC(OCC)C1 ZINC000948913375 1209449457 /nfs/dbraw/zinc/44/94/57/1209449457.db2.gz RWROBYMRTUISDC-FAFZWHIHSA-N 1 2 326.440 2.150 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CC(OCC)C1 ZINC000948913375 1209449460 /nfs/dbraw/zinc/44/94/60/1209449460.db2.gz RWROBYMRTUISDC-FAFZWHIHSA-N 1 2 326.440 2.150 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000948916085 1209450464 /nfs/dbraw/zinc/45/04/64/1209450464.db2.gz MNBKTJCSZKEVEQ-XLIONFOSSA-N 1 2 348.450 2.178 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000948916085 1209450466 /nfs/dbraw/zinc/45/04/66/1209450466.db2.gz MNBKTJCSZKEVEQ-XLIONFOSSA-N 1 2 348.450 2.178 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCn2nccc21 ZINC000948932594 1209459919 /nfs/dbraw/zinc/45/99/19/1209459919.db2.gz LHCYOQODVGLKSL-UYAOXDASSA-N 1 2 348.450 2.109 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCn2nccc21 ZINC000948932594 1209459920 /nfs/dbraw/zinc/45/99/20/1209459920.db2.gz LHCYOQODVGLKSL-UYAOXDASSA-N 1 2 348.450 2.109 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccnnc1C ZINC000948936643 1209463236 /nfs/dbraw/zinc/46/32/36/1209463236.db2.gz WQPSYTOYQIOPLZ-LJQANCHMSA-N 1 2 334.423 2.138 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccnnc1C ZINC000948936643 1209463238 /nfs/dbraw/zinc/46/32/38/1209463238.db2.gz WQPSYTOYQIOPLZ-LJQANCHMSA-N 1 2 334.423 2.138 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(OC)ccn1 ZINC000948945789 1209466594 /nfs/dbraw/zinc/46/65/94/1209466594.db2.gz BUTUBFCLDKLREH-LJQANCHMSA-N 1 2 335.407 2.053 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(OC)ccn1 ZINC000948945789 1209466596 /nfs/dbraw/zinc/46/65/96/1209466596.db2.gz BUTUBFCLDKLREH-LJQANCHMSA-N 1 2 335.407 2.053 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1c(C)cnn1C ZINC000948950609 1209469868 /nfs/dbraw/zinc/46/98/68/1209469868.db2.gz MGHWBSAUIBZYDP-GOSISDBHSA-N 1 2 336.439 2.081 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1c(C)cnn1C ZINC000948950609 1209469870 /nfs/dbraw/zinc/46/98/70/1209469870.db2.gz MGHWBSAUIBZYDP-GOSISDBHSA-N 1 2 336.439 2.081 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)nn1CC ZINC000948962564 1209476293 /nfs/dbraw/zinc/47/62/93/1209476293.db2.gz QJAGSPHCPMVCOF-IBGZPJMESA-N 1 2 336.439 2.174 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)nn1CC ZINC000948962564 1209476295 /nfs/dbraw/zinc/47/62/95/1209476295.db2.gz QJAGSPHCPMVCOF-IBGZPJMESA-N 1 2 336.439 2.174 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)CC2)C1 ZINC000949370122 1209654015 /nfs/dbraw/zinc/65/40/15/1209654015.db2.gz KRGFKBFBUBGEKY-DLBZAZTESA-N 1 2 332.488 2.385 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)CC2)C1 ZINC000949370122 1209654018 /nfs/dbraw/zinc/65/40/18/1209654018.db2.gz KRGFKBFBUBGEKY-DLBZAZTESA-N 1 2 332.488 2.385 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCC(C)=C(C)C3)CC2)C1 ZINC000949373407 1209655581 /nfs/dbraw/zinc/65/55/81/1209655581.db2.gz SPCJQONQIOBWPN-SFHVURJKSA-N 1 2 330.472 2.450 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCC(C)=C(C)C3)CC2)C1 ZINC000949373407 1209655582 /nfs/dbraw/zinc/65/55/82/1209655582.db2.gz SPCJQONQIOBWPN-SFHVURJKSA-N 1 2 330.472 2.450 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc4c(o3)CCCC4)CC2)C1 ZINC000949382713 1209658749 /nfs/dbraw/zinc/65/87/49/1209658749.db2.gz BVSURWPYMBBXSY-UHFFFAOYSA-N 1 2 342.439 2.099 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc4c(o3)CCCC4)CC2)C1 ZINC000949382713 1209658750 /nfs/dbraw/zinc/65/87/50/1209658750.db2.gz BVSURWPYMBBXSY-UHFFFAOYSA-N 1 2 342.439 2.099 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@H]3CCCC3(F)F)CC2)C1 ZINC000949450825 1209692159 /nfs/dbraw/zinc/69/21/59/1209692159.db2.gz MCQKAJIALLVTJC-OAHLLOKOSA-N 1 2 340.414 2.139 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CCCC3(F)F)CC2)C1 ZINC000949450825 1209692160 /nfs/dbraw/zinc/69/21/60/1209692160.db2.gz MCQKAJIALLVTJC-OAHLLOKOSA-N 1 2 340.414 2.139 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000949631835 1209766842 /nfs/dbraw/zinc/76/68/42/1209766842.db2.gz UBZIBQDZPIGPDI-UHFFFAOYSA-N 1 2 328.416 2.469 20 30 EEEDLO CCN(C(=O)c1cc[nH]c1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000950384909 1210184398 /nfs/dbraw/zinc/18/43/98/1210184398.db2.gz ADOXNVJBBBOLHE-UHFFFAOYSA-N 1 2 338.411 2.264 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[NH+](Cc3cccc(COC)c3)CC2)c1 ZINC000950407000 1210193783 /nfs/dbraw/zinc/19/37/83/1210193783.db2.gz USEQHZNUEZOCQP-UHFFFAOYSA-N 1 2 349.434 2.167 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c(CC)c(CC)n[nH]c2=O)C1 ZINC000950451872 1210220811 /nfs/dbraw/zinc/22/08/11/1210220811.db2.gz CUOBKKRGVSHZSA-UHFFFAOYSA-N 1 2 332.448 2.029 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000950809334 1210439844 /nfs/dbraw/zinc/43/98/44/1210439844.db2.gz XOJBZXZBUWRSKA-QGZVFWFLSA-N 1 2 332.831 2.200 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000950820102 1210446174 /nfs/dbraw/zinc/44/61/74/1210446174.db2.gz CBBZZOPRBWZDSD-UHFFFAOYSA-N 1 2 327.428 2.294 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC000951218034 1210684448 /nfs/dbraw/zinc/68/44/48/1210684448.db2.gz GXOXPZUTPZQGLV-INIZCTEOSA-N 1 2 335.492 2.132 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCNC(C)=O)C2 ZINC001111363340 1210744938 /nfs/dbraw/zinc/74/49/38/1210744938.db2.gz LYYFHAZBJIHYEH-OAGGEKHMSA-N 1 2 341.883 2.157 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCNC(C)=O)C2 ZINC001111363340 1210744941 /nfs/dbraw/zinc/74/49/41/1210744941.db2.gz LYYFHAZBJIHYEH-OAGGEKHMSA-N 1 2 341.883 2.157 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC000952568095 1211488473 /nfs/dbraw/zinc/48/84/73/1211488473.db2.gz QRDBCGVUIYQONK-CVEARBPZSA-N 1 2 344.459 2.077 20 30 EEEDLO N#Cc1cccc(NC(=O)N2CC[NH+](CCc3ccccn3)CC2)c1 ZINC001202782727 1212892754 /nfs/dbraw/zinc/89/27/54/1212892754.db2.gz NPIDQZDWYUIINI-UHFFFAOYSA-N 1 2 335.411 2.345 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)cs1 ZINC001015604360 1225453987 /nfs/dbraw/zinc/45/39/87/1225453987.db2.gz NQDAICVAPSUBLE-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)cs1 ZINC001015604360 1225453993 /nfs/dbraw/zinc/45/39/93/1225453993.db2.gz NQDAICVAPSUBLE-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1ncccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015632274 1225490856 /nfs/dbraw/zinc/49/08/56/1225490856.db2.gz SPVQVNHPGJGTQR-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1ncccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015632274 1225490863 /nfs/dbraw/zinc/49/08/63/1225490863.db2.gz SPVQVNHPGJGTQR-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CCCCCC3)C2)C1 ZINC001015671647 1225535033 /nfs/dbraw/zinc/53/50/33/1225535033.db2.gz AKCDWJPAELQLJD-KRWDZBQOSA-N 1 2 347.503 2.372 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CCCCCC3)C2)C1 ZINC001015671647 1225535035 /nfs/dbraw/zinc/53/50/35/1225535035.db2.gz AKCDWJPAELQLJD-KRWDZBQOSA-N 1 2 347.503 2.372 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001015679333 1225542221 /nfs/dbraw/zinc/54/22/21/1225542221.db2.gz ZJTJISKUPNCMGY-GOSISDBHSA-N 1 2 348.381 2.078 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001015679333 1225542228 /nfs/dbraw/zinc/54/22/28/1225542228.db2.gz ZJTJISKUPNCMGY-GOSISDBHSA-N 1 2 348.381 2.078 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccncc2C(F)(F)F)C1 ZINC000957075491 1214814651 /nfs/dbraw/zinc/81/46/51/1214814651.db2.gz WEZNFVFGSHOSPF-UHFFFAOYSA-N 1 2 325.334 2.270 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC000957336009 1215057464 /nfs/dbraw/zinc/05/74/64/1215057464.db2.gz AADYBYZCUHAZDJ-UHFFFAOYSA-N 1 2 330.354 2.161 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(CC(C)C)no3)C[C@H]21 ZINC001114726213 1215117233 /nfs/dbraw/zinc/11/72/33/1215117233.db2.gz JAYNFHRYPYHRKT-XTDOFWJNSA-N 1 2 346.475 2.417 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(CC(C)C)no3)C[C@H]21 ZINC001114726213 1215117235 /nfs/dbraw/zinc/11/72/35/1215117235.db2.gz JAYNFHRYPYHRKT-XTDOFWJNSA-N 1 2 346.475 2.417 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)c4nc(CC)no4)C[C@H]32)CC1 ZINC001114792131 1215308293 /nfs/dbraw/zinc/30/82/93/1215308293.db2.gz OWJSDRIOICJJNM-TTZDDIAXSA-N 1 2 344.459 2.486 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)c4nc(CC)no4)C[C@H]32)CC1 ZINC001114792131 1215308298 /nfs/dbraw/zinc/30/82/98/1215308298.db2.gz OWJSDRIOICJJNM-TTZDDIAXSA-N 1 2 344.459 2.486 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@@H]2O)CC1 ZINC000958370549 1215685469 /nfs/dbraw/zinc/68/54/69/1215685469.db2.gz RULKMLLDMYFQJV-AEIXLSSFSA-N 1 2 347.286 2.461 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@@H]2O)CC1 ZINC000958370549 1215685471 /nfs/dbraw/zinc/68/54/71/1215685471.db2.gz RULKMLLDMYFQJV-AEIXLSSFSA-N 1 2 347.286 2.461 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2csc(C(C)C)n2)C1 ZINC000958482174 1215734408 /nfs/dbraw/zinc/73/44/08/1215734408.db2.gz WKUJFANEGUBCKW-AAEUAGOBSA-N 1 2 343.880 2.042 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2csc(C(C)C)n2)C1 ZINC000958482174 1215734411 /nfs/dbraw/zinc/73/44/11/1215734411.db2.gz WKUJFANEGUBCKW-AAEUAGOBSA-N 1 2 343.880 2.042 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cn(C(C)C)nn1 ZINC000960791700 1216899426 /nfs/dbraw/zinc/89/94/26/1216899426.db2.gz QVSLPAVHYMOOER-MRXNPFEDSA-N 1 2 333.480 2.494 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cn(C(C)C)nn1 ZINC000960791700 1216899429 /nfs/dbraw/zinc/89/94/29/1216899429.db2.gz QVSLPAVHYMOOER-MRXNPFEDSA-N 1 2 333.480 2.494 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccn(C(C)C)n4)C[C@H]32)C1 ZINC000961729427 1217297099 /nfs/dbraw/zinc/29/70/99/1217297099.db2.gz FUPGWYAZKPPKKV-FVQHAEBGSA-N 1 2 328.460 2.367 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccn(C(C)C)n4)C[C@H]32)C1 ZINC000961729427 1217297102 /nfs/dbraw/zinc/29/71/02/1217297102.db2.gz FUPGWYAZKPPKKV-FVQHAEBGSA-N 1 2 328.460 2.367 20 30 EEEDLO C#Cc1ccc(C(=O)NC2[C@H]3C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]23)nc1 ZINC000962346632 1217627065 /nfs/dbraw/zinc/62/70/65/1217627065.db2.gz YVMLTIUEBRLLTF-XQYJFZSBSA-N 1 2 336.222 2.042 20 30 EEEDLO C#Cc1ccc(C(=O)NC2[C@H]3C[N@H+](C/C(Cl)=C/Cl)C[C@@H]23)nc1 ZINC000962346632 1217627066 /nfs/dbraw/zinc/62/70/66/1217627066.db2.gz YVMLTIUEBRLLTF-XQYJFZSBSA-N 1 2 336.222 2.042 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)ccn1 ZINC001015875879 1225776733 /nfs/dbraw/zinc/77/67/33/1225776733.db2.gz ZLIAMHPNNSYJMG-KRWDZBQOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)ccn1 ZINC001015875879 1225776736 /nfs/dbraw/zinc/77/67/36/1225776736.db2.gz ZLIAMHPNNSYJMG-KRWDZBQOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1ncncc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1C 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ZINC001040322225 1231169118 /nfs/dbraw/zinc/16/91/18/1231169118.db2.gz IGCQBUVZJZPNNS-GOSISDBHSA-N 1 2 331.464 2.140 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@@H](CNc3cc[nH+]c(C)n3)[C@@H](C)C2)c1 ZINC001040446596 1231238555 /nfs/dbraw/zinc/23/85/55/1231238555.db2.gz IDYIXBVKSAGEDV-YOEHRIQHSA-N 1 2 349.438 2.372 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@]2(CC[N@@H+](Cc3cnn(CC)n3)C2)C1 ZINC001041633016 1231631012 /nfs/dbraw/zinc/63/10/12/1231631012.db2.gz OOUQVBIKNMFADJ-MOPGFXCFSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@]2(CC[N@H+](Cc3cnn(CC)n3)C2)C1 ZINC001041633016 1231631014 /nfs/dbraw/zinc/63/10/14/1231631014.db2.gz OOUQVBIKNMFADJ-MOPGFXCFSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@]3(CC[N@@H+](Cc4nnc(CC)o4)C3)C2)C1 ZINC001041657326 1231640070 /nfs/dbraw/zinc/64/00/70/1231640070.db2.gz PTJZYPBQRFECSP-IBGZPJMESA-N 1 2 344.459 2.413 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@]3(CC[N@H+](Cc4nnc(CC)o4)C3)C2)C1 ZINC001041657326 1231640071 /nfs/dbraw/zinc/64/00/71/1231640071.db2.gz PTJZYPBQRFECSP-IBGZPJMESA-N 1 2 344.459 2.413 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc4n[nH]nc43)C[C@@H]21 ZINC001042071184 1231869011 /nfs/dbraw/zinc/86/90/11/1231869011.db2.gz AWKUGAKQWDEYNC-WFASDCNBSA-N 1 2 345.834 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc4n[nH]nc43)C[C@@H]21 ZINC001042071184 1231869015 /nfs/dbraw/zinc/86/90/15/1231869015.db2.gz AWKUGAKQWDEYNC-WFASDCNBSA-N 1 2 345.834 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc4nn[nH]c43)C[C@@H]21 ZINC001042071184 1231869017 /nfs/dbraw/zinc/86/90/17/1231869017.db2.gz AWKUGAKQWDEYNC-WFASDCNBSA-N 1 2 345.834 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc4nn[nH]c43)C[C@@H]21 ZINC001042071184 1231869019 /nfs/dbraw/zinc/86/90/19/1231869019.db2.gz AWKUGAKQWDEYNC-WFASDCNBSA-N 1 2 345.834 2.247 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3nnc(CC)o3)[C@H]2C1 ZINC001042183357 1231942353 /nfs/dbraw/zinc/94/23/53/1231942353.db2.gz PBAWRZVAFIHCHO-KBPBESRZSA-N 1 2 332.448 2.267 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3nnc(CC)o3)[C@H]2C1 ZINC001042183357 1231942355 /nfs/dbraw/zinc/94/23/55/1231942355.db2.gz PBAWRZVAFIHCHO-KBPBESRZSA-N 1 2 332.448 2.267 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nonc4C)[C@@H]3C2)C1 ZINC001042224133 1231966348 /nfs/dbraw/zinc/96/63/48/1231966348.db2.gz JADRWWADALWILY-GDBMZVCRSA-N 1 2 330.432 2.157 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4nonc4C)[C@@H]3C2)C1 ZINC001042224133 1231966349 /nfs/dbraw/zinc/96/63/49/1231966349.db2.gz JADRWWADALWILY-GDBMZVCRSA-N 1 2 330.432 2.157 20 30 EEEDLO Cc1cc[nH]c1C(=O)N(C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001042678109 1232136023 /nfs/dbraw/zinc/13/60/23/1232136023.db2.gz DMWXYBUNMOVIKX-UHFFFAOYSA-N 1 2 338.411 2.182 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](Cc3ccc(COC)cc3)C2)cn1 ZINC001044206123 1232787653 /nfs/dbraw/zinc/78/76/53/1232787653.db2.gz UJJNREMFRWAGLH-UHFFFAOYSA-N 1 2 349.434 2.166 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@H]1C[NH2+][C@@H](C)c1noc(C)n1 ZINC001045070832 1233484505 /nfs/dbraw/zinc/48/45/05/1233484505.db2.gz YGLOWAYFDKTNBN-ZFWWWQNUSA-N 1 2 343.431 2.321 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2cocn2)CC1 ZINC001045381966 1233707628 /nfs/dbraw/zinc/70/76/28/1233707628.db2.gz WKXHWMYTFGYLSK-UHFFFAOYSA-N 1 2 328.210 2.168 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2ncc(C)o2)CC1 ZINC001045560741 1233817770 /nfs/dbraw/zinc/81/77/70/1233817770.db2.gz VAVLPORTSJWJKY-CABCVRRESA-N 1 2 333.432 2.045 20 30 EEEDLO Cc1ncc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)[nH]1 ZINC001045733123 1233936727 /nfs/dbraw/zinc/93/67/27/1233936727.db2.gz BNKRALAGPZYTNT-MSOLQXFVSA-N 1 2 349.438 2.469 20 30 EEEDLO Cc1ncc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)[nH]1 ZINC001045733123 1233936729 /nfs/dbraw/zinc/93/67/29/1233936729.db2.gz BNKRALAGPZYTNT-MSOLQXFVSA-N 1 2 349.438 2.469 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cnn(C)n2)CC1 ZINC001045840184 1234055092 /nfs/dbraw/zinc/05/50/92/1234055092.db2.gz NLHQGHKOFBCRFN-MSOLQXFVSA-N 1 2 343.475 2.127 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2cnn(C)n2)CC1 ZINC001045840184 1234055094 /nfs/dbraw/zinc/05/50/94/1234055094.db2.gz NLHQGHKOFBCRFN-MSOLQXFVSA-N 1 2 343.475 2.127 20 30 EEEDLO N#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001045966368 1234245793 /nfs/dbraw/zinc/24/57/93/1234245793.db2.gz UYCNZIUYROLDRU-BEFAXECRSA-N 1 2 341.459 2.058 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2coc(C)n2)C1 ZINC001046373707 1234722726 /nfs/dbraw/zinc/72/27/26/1234722726.db2.gz GLWMAHOWUAXLNS-SFHVURJKSA-N 1 2 328.416 2.365 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@H+](Cc2coc(C)n2)C1 ZINC001046373707 1234722732 /nfs/dbraw/zinc/72/27/32/1234722732.db2.gz GLWMAHOWUAXLNS-SFHVURJKSA-N 1 2 328.416 2.365 20 30 EEEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3sccc3s2)C1 ZINC001047428442 1236004273 /nfs/dbraw/zinc/00/42/73/1236004273.db2.gz 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C=C(Br)C[N@H+]1CC=C(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001000596224 1240565218 /nfs/dbraw/zinc/56/52/18/1240565218.db2.gz NSHYQSOUCZTZKX-UHFFFAOYSA-N 1 2 349.232 2.157 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001000596224 1240565229 /nfs/dbraw/zinc/56/52/29/1240565229.db2.gz NSHYQSOUCZTZKX-UHFFFAOYSA-N 1 2 349.232 2.157 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049381428 1240739855 /nfs/dbraw/zinc/73/98/55/1240739855.db2.gz KNGJYZGURXVCMY-XWIAVFTESA-N 1 2 340.402 2.422 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049381428 1240739863 /nfs/dbraw/zinc/73/98/63/1240739863.db2.gz KNGJYZGURXVCMY-XWIAVFTESA-N 1 2 340.402 2.422 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ccnc3[nH]c(C)nc32)CC1 ZINC001000974555 1241352681 /nfs/dbraw/zinc/35/26/81/1241352681.db2.gz XOHSLKVXLWIVIY-UHFFFAOYSA-N 1 2 345.834 2.381 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ccnc3[nH]c(C)nc32)CC1 ZINC001000974555 1241352695 /nfs/dbraw/zinc/35/26/95/1241352695.db2.gz XOHSLKVXLWIVIY-UHFFFAOYSA-N 1 2 345.834 2.381 20 30 EEEDLO C=C1CCC(C(=O)NCC2=CC[N@H+](Cc3nccn3C)CC2)CC1 ZINC001001116823 1241670308 /nfs/dbraw/zinc/67/03/08/1241670308.db2.gz KHGDZOIPGFBUBD-UHFFFAOYSA-N 1 2 328.460 2.415 20 30 EEEDLO C=C1CCC(C(=O)NCC2=CC[N@@H+](Cc3nccn3C)CC2)CC1 ZINC001001116823 1241670321 /nfs/dbraw/zinc/67/03/21/1241670321.db2.gz KHGDZOIPGFBUBD-UHFFFAOYSA-N 1 2 328.460 2.415 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1nnc(CC)n1C ZINC001049635000 1241717933 /nfs/dbraw/zinc/71/79/33/1241717933.db2.gz IYYYSSSGLJLBFS-GJZGRUSLSA-N 1 2 345.491 2.155 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1nnc(CC)n1C ZINC001049635000 1241717940 /nfs/dbraw/zinc/71/79/40/1241717940.db2.gz IYYYSSSGLJLBFS-GJZGRUSLSA-N 1 2 345.491 2.155 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2nccn3cc(C)nc23)CC1 ZINC001001353743 1242117724 /nfs/dbraw/zinc/11/77/24/1242117724.db2.gz GBRRSFBHKPZARN-UHFFFAOYSA-N 1 2 345.834 2.152 20 30 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ZINC001074026831 1242905229 /nfs/dbraw/zinc/90/52/29/1242905229.db2.gz GYYGMYOWFRLSFJ-GDBMZVCRSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001074026831 1242905235 /nfs/dbraw/zinc/90/52/35/1242905235.db2.gz GYYGMYOWFRLSFJ-GDBMZVCRSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H](Nc1cc[nH+]c(C)n1)C1CC1 ZINC001096763390 1243193667 /nfs/dbraw/zinc/19/36/67/1243193667.db2.gz OBIWXSZTHBWZFA-YJBOKZPZSA-N 1 2 332.448 2.321 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C#N)c[nH]2)C3)o1 ZINC001096928492 1243473003 /nfs/dbraw/zinc/47/30/03/1243473003.db2.gz GRZRQISJCIIKMG-MEWXFMAXSA-N 1 2 339.399 2.279 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C#N)c[nH]2)C3)o1 ZINC001096928492 1243473011 /nfs/dbraw/zinc/47/30/11/1243473011.db2.gz GRZRQISJCIIKMG-MEWXFMAXSA-N 1 2 339.399 2.279 20 30 EEEDLO C=CCOCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001097119279 1243717461 /nfs/dbraw/zinc/71/74/61/1243717461.db2.gz BWQXLCKAUWFGLR-ALOPSCKCSA-N 1 2 344.459 2.166 20 30 EEEDLO Cc1nc(N2CC[C@H]3[C@H](CCCN3C(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001097138209 1243754581 /nfs/dbraw/zinc/75/45/81/1243754581.db2.gz VUGNGSWNNPPYIE-SJORKVTESA-N 1 2 326.444 2.262 20 30 EEEDLO C=CCCOCC(=O)N1CCC[C@@H]2CN(c3cc[nH+]c(C)n3)CC[C@H]21 ZINC001097139701 1243757103 /nfs/dbraw/zinc/75/71/03/1243757103.db2.gz LQOXVTMBJIHNKH-IAGOWNOFSA-N 1 2 344.459 2.195 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]c(C)n3)C2)CCOCC1 ZINC001097205934 1243822301 /nfs/dbraw/zinc/82/23/01/1243822301.db2.gz ZEFGNEUFYCEJTQ-GASCZTMLSA-N 1 2 330.432 2.217 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001097222300 1243846159 /nfs/dbraw/zinc/84/61/59/1243846159.db2.gz QKWQQNUIJJDHNT-TXEJJXNPSA-N 1 2 328.420 2.025 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050582517 1243886923 /nfs/dbraw/zinc/88/69/23/1243886923.db2.gz YETQFLONUFWWKV-HUUCEWRRSA-N 1 2 346.475 2.298 20 30 EEEDLO Cc1cc(N2CCC[C@H](CNC(=O)[C@@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001097298742 1243930829 /nfs/dbraw/zinc/93/08/29/1243930829.db2.gz UGAKKXMPLRZXDF-GXTWGEPZSA-N 1 2 327.432 2.155 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001050886664 1244552747 /nfs/dbraw/zinc/55/27/47/1244552747.db2.gz UKSOSQSGGPKZHL-HZPDHXFCSA-N 1 2 346.475 2.062 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3nnc(CC)o3)CC2)C1 ZINC001052689007 1244755958 /nfs/dbraw/zinc/75/59/58/1244755958.db2.gz DETBOGMPGHSPBJ-CQSZACIVSA-N 1 2 332.448 2.459 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3nnc(CC)o3)CC2)C1 ZINC001052689007 1244755968 /nfs/dbraw/zinc/75/59/68/1244755968.db2.gz DETBOGMPGHSPBJ-CQSZACIVSA-N 1 2 332.448 2.459 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(C)nc2sccn21 ZINC001050985723 1244787533 /nfs/dbraw/zinc/78/75/33/1244787533.db2.gz HLXGPQVJPHEJQR-AWEZNQCLSA-N 1 2 348.472 2.101 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(C)nc2sccn21 ZINC001050985723 1244787544 /nfs/dbraw/zinc/78/75/44/1244787544.db2.gz HLXGPQVJPHEJQR-AWEZNQCLSA-N 1 2 348.472 2.101 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(COC)cs1 ZINC001051009062 1244840153 /nfs/dbraw/zinc/84/01/53/1244840153.db2.gz DDLXGOSUPJNDSZ-HNNXBMFYSA-N 1 2 338.473 2.291 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(COC)cs1 ZINC001051009062 1244840167 /nfs/dbraw/zinc/84/01/67/1244840167.db2.gz DDLXGOSUPJNDSZ-HNNXBMFYSA-N 1 2 338.473 2.291 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2c(c1)[C@@H](C)CO2 ZINC001051078188 1244944514 /nfs/dbraw/zinc/94/45/14/1244944514.db2.gz JXLBJQRNPQFOME-GOEBONIOSA-N 1 2 330.428 2.189 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2c(c1)[C@@H](C)CO2 ZINC001051078188 1244944522 /nfs/dbraw/zinc/94/45/22/1244944522.db2.gz JXLBJQRNPQFOME-GOEBONIOSA-N 1 2 330.428 2.189 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(C2CCCC2)c1C ZINC001051201432 1245380897 /nfs/dbraw/zinc/38/08/97/1245380897.db2.gz LZMRJBUVAMUPBE-QGZVFWFLSA-N 1 2 346.475 2.313 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(C2CCCC2)c1C ZINC001051201432 1245380899 /nfs/dbraw/zinc/38/08/99/1245380899.db2.gz LZMRJBUVAMUPBE-QGZVFWFLSA-N 1 2 346.475 2.313 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ncoc1C(C)(C)C ZINC001051203810 1245386137 /nfs/dbraw/zinc/38/61/37/1245386137.db2.gz QTLUWDYCHMHJGE-AWEZNQCLSA-N 1 2 335.448 2.369 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ncoc1C(C)(C)C ZINC001051203810 1245386140 /nfs/dbraw/zinc/38/61/40/1245386140.db2.gz QTLUWDYCHMHJGE-AWEZNQCLSA-N 1 2 335.448 2.369 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001051315219 1245530369 /nfs/dbraw/zinc/53/03/69/1245530369.db2.gz YDECMBGOBLRWSQ-UKRRQHHQSA-N 1 2 346.475 2.216 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([C@H](C)NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001051322853 1245543586 /nfs/dbraw/zinc/54/35/86/1245543586.db2.gz IWPSYNMATXYTRJ-GJZGRUSLSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001053032122 1245722038 /nfs/dbraw/zinc/72/20/38/1245722038.db2.gz JLLIGDHUSOXVII-LSDHHAIUSA-N 1 2 346.475 2.254 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCCN(c1[nH+]cnc2c1cnn2C)C1CC1 ZINC001101425968 1245806413 /nfs/dbraw/zinc/80/64/13/1245806413.db2.gz MFJRSNBDKXGXNE-ZDUSSCGKSA-N 1 2 342.447 2.051 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)Cc1ccco1)c1nccn12 ZINC001101647615 1246076806 /nfs/dbraw/zinc/07/68/06/1246076806.db2.gz FUWFJCKVHQNYHU-ZBFHGGJFSA-N 1 2 340.427 2.113 20 30 EEEDLO C=CCOc1ccccc1C(=O)N1CCOC2(C[NH+](C(C)C)C2)C1 ZINC001053311878 1246172050 /nfs/dbraw/zinc/17/20/50/1246172050.db2.gz CNUMFZMGTZLTLD-UHFFFAOYSA-N 1 2 330.428 2.187 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccnc3ccccc31)CCO2 ZINC001053332077 1246193902 /nfs/dbraw/zinc/19/39/02/1246193902.db2.gz KQLDPPAWNRFUOQ-UHFFFAOYSA-N 1 2 337.423 2.338 20 30 EEEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cccc3cn[nH]c31)CCO2 ZINC001053366701 1246241387 /nfs/dbraw/zinc/24/13/87/1246241387.db2.gz NXXAUMAJLZBSFX-UHFFFAOYSA-N 1 2 340.427 2.056 20 30 EEEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cccc3c[nH]nc31)CCO2 ZINC001053366701 1246241395 /nfs/dbraw/zinc/24/13/95/1246241395.db2.gz NXXAUMAJLZBSFX-UHFFFAOYSA-N 1 2 340.427 2.056 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)CC(C)(C)C)C2)CC1 ZINC001051983020 1246340873 /nfs/dbraw/zinc/34/08/73/1246340873.db2.gz KOOVOKUVUPPYFM-OAHLLOKOSA-N 1 2 327.900 2.394 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CO[C@H]1CCCC[C@H]1C)CCO2 ZINC001053454319 1246348523 /nfs/dbraw/zinc/34/85/23/1246348523.db2.gz UTDPBHKAUUBZGU-SJORKVTESA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1coc3ccccc13)CCO2 ZINC001053483399 1246379638 /nfs/dbraw/zinc/37/96/38/1246379638.db2.gz OYSPCMFGWHQNEP-UHFFFAOYSA-N 1 2 340.423 2.465 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(CC(=C)C)CC3)C2)cc1 ZINC001052060534 1246430909 /nfs/dbraw/zinc/43/09/09/1246430909.db2.gz GVDCSJDTKBLJJH-HXUWFJFHSA-N 1 2 337.467 2.076 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc(C3CCCC3)no1)CCO2 ZINC001053535796 1246444138 /nfs/dbraw/zinc/44/41/38/1246444138.db2.gz ACQQAEJBZZVAGZ-UHFFFAOYSA-N 1 2 345.443 2.435 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ncsc3C(C)C)C2)CC1 ZINC001052106184 1246486220 /nfs/dbraw/zinc/48/62/20/1246486220.db2.gz DXTYPQUDHKESKG-OAHLLOKOSA-N 1 2 348.516 2.285 20 30 EEEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C3CCC(C)(C)CC3)C2)CC1 ZINC001052122485 1246508030 /nfs/dbraw/zinc/50/80/30/1246508030.db2.gz UPIHNFUSKLKZLR-IBGZPJMESA-N 1 2 345.531 2.445 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCCC3(C)C)C2)CC1 ZINC001052123744 1246510735 /nfs/dbraw/zinc/51/07/35/1246510735.db2.gz OOKZCPRFJKGRJS-ROUUACIJSA-N 1 2 331.504 2.055 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc3c1O[C@@H](C)C3)O2 ZINC001053628814 1246557223 /nfs/dbraw/zinc/55/72/23/1246557223.db2.gz YJCSSKBUXYGBGF-HOCLYGCPSA-N 1 2 342.439 2.159 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3cccnc31)O2 ZINC001053653881 1246595784 /nfs/dbraw/zinc/59/57/84/1246595784.db2.gz BFBLVCKDWHKAIM-IAGOWNOFSA-N 1 2 341.455 2.037 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(C)noc1CC)O2 ZINC001053695666 1246667876 /nfs/dbraw/zinc/66/78/76/1246667876.db2.gz PNGPMGJUPZLWPP-AWEZNQCLSA-N 1 2 333.432 2.085 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccnc1OC(C)C)O2 ZINC001053707961 1246686698 /nfs/dbraw/zinc/68/66/98/1246686698.db2.gz SMUUIBDSLLKCMF-OAHLLOKOSA-N 1 2 345.443 2.018 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1cccc(CC)c1)CO2 ZINC001053851432 1246909656 /nfs/dbraw/zinc/90/96/56/1246909656.db2.gz RTXCDNDLSNSIMJ-SFHVURJKSA-N 1 2 328.456 2.327 20 30 EEEDLO N#Cc1ccc(N[C@H]2CCCN(C(=O)c3cccc4[nH+]ccn43)C2)cn1 ZINC001057719312 1246914080 /nfs/dbraw/zinc/91/40/80/1246914080.db2.gz HSPYIVSVJWRZAI-INIZCTEOSA-N 1 2 346.394 2.318 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3cc(C)ccc3[nH]1)CO2 ZINC001053888350 1246971321 /nfs/dbraw/zinc/97/13/21/1246971321.db2.gz HHIGRRUHHZCUSK-INIZCTEOSA-N 1 2 337.423 2.073 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3ccccc3c1)CO2 ZINC001053940052 1247039551 /nfs/dbraw/zinc/03/95/51/1247039551.db2.gz VJRWDRNBJUKFNE-QGZVFWFLSA-N 1 2 337.423 2.384 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc([C@@H](C)CC)no1)CO2 ZINC001053947987 1247052513 /nfs/dbraw/zinc/05/25/13/1247052513.db2.gz DGYFTXLPZGULHG-KBPBESRZSA-N 1 2 333.432 2.337 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)c1ccccc1F)CO2 ZINC001053960526 1247072333 /nfs/dbraw/zinc/07/23/33/1247072333.db2.gz CKHJVUTZGNIJDR-HUUCEWRRSA-N 1 2 332.419 2.465 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccn1CC=C ZINC001054043276 1247209190 /nfs/dbraw/zinc/20/91/90/1247209190.db2.gz SWDQTJPRJDGKLB-IBGZPJMESA-N 1 2 333.435 2.464 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccn1CC=C ZINC001054043276 1247209198 /nfs/dbraw/zinc/20/91/98/1247209198.db2.gz SWDQTJPRJDGKLB-IBGZPJMESA-N 1 2 333.435 2.464 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001054048281 1247230877 /nfs/dbraw/zinc/23/08/77/1247230877.db2.gz XNIGSPJAJMBLFC-SFHVURJKSA-N 1 2 336.439 2.254 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001054048281 1247230885 /nfs/dbraw/zinc/23/08/85/1247230885.db2.gz XNIGSPJAJMBLFC-SFHVURJKSA-N 1 2 336.439 2.254 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(CCC)n[nH]1 ZINC001054049291 1247232556 /nfs/dbraw/zinc/23/25/56/1247232556.db2.gz UJGXGAWHPQIFBL-GOSISDBHSA-N 1 2 336.439 2.152 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(CCC)n[nH]1 ZINC001054049291 1247232565 /nfs/dbraw/zinc/23/25/65/1247232565.db2.gz UJGXGAWHPQIFBL-GOSISDBHSA-N 1 2 336.439 2.152 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnn2c1CCCC2 ZINC001054057497 1247259565 /nfs/dbraw/zinc/25/95/65/1247259565.db2.gz NCYXDMYXKRMMNZ-GOSISDBHSA-N 1 2 348.450 2.009 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnn2c1CCCC2 ZINC001054057497 1247259575 /nfs/dbraw/zinc/25/95/75/1247259575.db2.gz NCYXDMYXKRMMNZ-GOSISDBHSA-N 1 2 348.450 2.009 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cn(C)nc3C3CC3)cc2C1 ZINC001054267283 1247943097 /nfs/dbraw/zinc/94/30/97/1247943097.db2.gz LLUJUSWLKKFBNO-UHFFFAOYSA-N 1 2 334.423 2.176 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cn(C)nc3C3CC3)cc2C1 ZINC001054267283 1247943104 /nfs/dbraw/zinc/94/31/04/1247943104.db2.gz LLUJUSWLKKFBNO-UHFFFAOYSA-N 1 2 334.423 2.176 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@@H](OC)C3)cc2C1 ZINC001054279246 1247992798 /nfs/dbraw/zinc/99/27/98/1247992798.db2.gz XGAJJVNDUHXDCQ-QFBILLFUSA-N 1 2 326.440 2.457 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@@H](OC)C3)cc2C1 ZINC001054279246 1247992805 /nfs/dbraw/zinc/99/28/05/1247992805.db2.gz XGAJJVNDUHXDCQ-QFBILLFUSA-N 1 2 326.440 2.457 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCO[C@H](CC)C3)cc2C1 ZINC001054289092 1248020545 /nfs/dbraw/zinc/02/05/45/1248020545.db2.gz UZJLNMNSKDJBDT-QFBILLFUSA-N 1 2 326.440 2.457 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCO[C@H](CC)C3)cc2C1 ZINC001054289092 1248020555 /nfs/dbraw/zinc/02/05/55/1248020555.db2.gz UZJLNMNSKDJBDT-QFBILLFUSA-N 1 2 326.440 2.457 20 30 EEEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2cccc(Cl)c2C#N)CC1 ZINC000827606831 1248480264 /nfs/dbraw/zinc/48/02/64/1248480264.db2.gz PVRLRRNHXAEZLM-UHFFFAOYSA-N 1 2 341.864 2.133 20 30 EEEDLO C[C@H]1C[C@H](Nc2ccc(C#N)nc2)CN1C(=O)c1cccc2[nH+]ccn21 ZINC001069173485 1252402716 /nfs/dbraw/zinc/40/27/16/1252402716.db2.gz SXTCJABBWNSUNT-BBRMVZONSA-N 1 2 346.394 2.316 20 30 EEEDLO C#CC[N@H+]1C[C@H](NC(=O)c2scnc2C(F)(F)F)CC[C@H]1C ZINC001071581005 1254371757 /nfs/dbraw/zinc/37/17/57/1254371757.db2.gz YOZQBNFKBSHMHJ-NXEZZACHSA-N 1 2 331.363 2.378 20 30 EEEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2scnc2C(F)(F)F)CC[C@H]1C ZINC001071581005 1254371770 /nfs/dbraw/zinc/37/17/70/1254371770.db2.gz YOZQBNFKBSHMHJ-NXEZZACHSA-N 1 2 331.363 2.378 20 30 EEEDLO C#CC[N@H+]1C[C@H](NC(=O)c2cc3c(C)nn(C)c3s2)CC[C@H]1C ZINC001071717320 1254560927 /nfs/dbraw/zinc/56/09/27/1254560927.db2.gz CROYGLODAMKZBO-DGCLKSJQSA-N 1 2 330.457 2.159 20 30 EEEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2cc3c(C)nn(C)c3s2)CC[C@H]1C ZINC001071717320 1254560935 /nfs/dbraw/zinc/56/09/35/1254560935.db2.gz CROYGLODAMKZBO-DGCLKSJQSA-N 1 2 330.457 2.159 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ncn(C(C)(C)C)n2)CC[C@H]1C ZINC001071820787 1254670403 /nfs/dbraw/zinc/67/04/03/1254670403.db2.gz DMTCSYNTZNEYHZ-CHWSQXEVSA-N 1 2 339.871 2.368 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ncn(C(C)(C)C)n2)CC[C@H]1C ZINC001071820787 1254670408 /nfs/dbraw/zinc/67/04/08/1254670408.db2.gz DMTCSYNTZNEYHZ-CHWSQXEVSA-N 1 2 339.871 2.368 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001072430555 1255156648 /nfs/dbraw/zinc/15/66/48/1255156648.db2.gz VSDIMOHWBKSDTA-KBPBESRZSA-N 1 2 346.475 2.253 20 30 EEEDLO O=C(C(F)C(F)(F)F)N1CC2(C1)CC[N@H+](CCC(F)(F)F)C2 ZINC001072757745 1255349073 /nfs/dbraw/zinc/34/90/73/1255349073.db2.gz UXXCKZJZAPTFJJ-QMMMGPOBSA-N 1 2 336.251 2.374 20 30 EEEDLO O=C(C(F)C(F)(F)F)N1CC2(C1)CC[N@@H+](CCC(F)(F)F)C2 ZINC001072757745 1255349083 /nfs/dbraw/zinc/34/90/83/1255349083.db2.gz UXXCKZJZAPTFJJ-QMMMGPOBSA-N 1 2 336.251 2.374 20 30 EEEDLO O=C([C@H](F)C(F)(F)F)N1CC2(C1)CC[N@H+](CCC(F)(F)F)C2 ZINC001072757745 1255349090 /nfs/dbraw/zinc/34/90/90/1255349090.db2.gz UXXCKZJZAPTFJJ-QMMMGPOBSA-N 1 2 336.251 2.374 20 30 EEEDLO O=C([C@H](F)C(F)(F)F)N1CC2(C1)CC[N@@H+](CCC(F)(F)F)C2 ZINC001072757745 1255349099 /nfs/dbraw/zinc/34/90/99/1255349099.db2.gz UXXCKZJZAPTFJJ-QMMMGPOBSA-N 1 2 336.251 2.374 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](Cc1cnns1)C2 ZINC001072779911 1255370448 /nfs/dbraw/zinc/37/04/48/1255370448.db2.gz LSHCSIUTLRYHAE-UHFFFAOYSA-N 1 2 340.880 2.351 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](Cc1cnns1)C2 ZINC001072779911 1255370462 /nfs/dbraw/zinc/37/04/62/1255370462.db2.gz LSHCSIUTLRYHAE-UHFFFAOYSA-N 1 2 340.880 2.351 20 30 EEEDLO C#CCCCCCC(=O)N1CCC(C)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001073185105 1255761354 /nfs/dbraw/zinc/76/13/54/1255761354.db2.gz BJYAOCNSJKVHTF-UHFFFAOYSA-N 1 2 344.459 2.033 20 30 EEEDLO C=C1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)Cc2cnnn2C)CC1 ZINC001074060683 1256634541 /nfs/dbraw/zinc/63/45/41/1256634541.db2.gz UNKXFOOTRNZUCO-QGZVFWFLSA-N 1 2 345.491 2.374 20 30 EEEDLO C=C1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)Cc2cnnn2C)CC1 ZINC001074060683 1256634547 /nfs/dbraw/zinc/63/45/47/1256634547.db2.gz UNKXFOOTRNZUCO-QGZVFWFLSA-N 1 2 345.491 2.374 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C)nc(C)c3)C[C@H]21 ZINC001074256651 1256817879 /nfs/dbraw/zinc/81/78/79/1256817879.db2.gz VKZRIAXIPJVRBP-MSOLQXFVSA-N 1 2 329.444 2.190 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C)nc(C)c3)C[C@H]21 ZINC001074256651 1256817890 /nfs/dbraw/zinc/81/78/90/1256817890.db2.gz VKZRIAXIPJVRBP-MSOLQXFVSA-N 1 2 329.444 2.190 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(C)C)nc3)C[C@@H]21 ZINC001074266550 1256836194 /nfs/dbraw/zinc/83/61/94/1256836194.db2.gz MJGKNPCRJVGIMA-RBUKOAKNSA-N 1 2 341.455 2.144 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(C)C)nc3)C[C@@H]21 ZINC001074266550 1256836205 /nfs/dbraw/zinc/83/62/05/1256836205.db2.gz MJGKNPCRJVGIMA-RBUKOAKNSA-N 1 2 341.455 2.144 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc4cccnc43)C[C@@H]21 ZINC001074289938 1256862814 /nfs/dbraw/zinc/86/28/14/1256862814.db2.gz UNNHZCWRRHCIQO-OALUTQOASA-N 1 2 349.434 2.173 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc4cccnc43)C[C@@H]21 ZINC001074289938 1256862821 /nfs/dbraw/zinc/86/28/21/1256862821.db2.gz UNNHZCWRRHCIQO-OALUTQOASA-N 1 2 349.434 2.173 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc4ncccc43)C[C@H]21 ZINC001074307254 1256901640 /nfs/dbraw/zinc/90/16/40/1256901640.db2.gz IGSUAFUVIUKQHU-UXHICEINSA-N 1 2 349.434 2.173 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc4ncccc43)C[C@H]21 ZINC001074307254 1256901647 /nfs/dbraw/zinc/90/16/47/1256901647.db2.gz IGSUAFUVIUKQHU-UXHICEINSA-N 1 2 349.434 2.173 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3nccc4ccccc43)C[C@@H]21 ZINC001074324864 1256911432 /nfs/dbraw/zinc/91/14/32/1256911432.db2.gz QVWURHRDIAVWLZ-RBUKOAKNSA-N 1 2 349.434 2.173 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nccc4ccccc43)C[C@@H]21 ZINC001074324864 1256911437 /nfs/dbraw/zinc/91/14/37/1256911437.db2.gz QVWURHRDIAVWLZ-RBUKOAKNSA-N 1 2 349.434 2.173 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc(C)c(C)c3)C[C@@H]21 ZINC001074401109 1256985911 /nfs/dbraw/zinc/98/59/11/1256985911.db2.gz YOVCQKWNNFOSLZ-PMACEKPBSA-N 1 2 340.467 2.171 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc(C)c(C)c3)C[C@@H]21 ZINC001074401109 1256985914 /nfs/dbraw/zinc/98/59/14/1256985914.db2.gz YOVCQKWNNFOSLZ-PMACEKPBSA-N 1 2 340.467 2.171 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c4ncccc34)C[C@H]21 ZINC001074403438 1256990533 /nfs/dbraw/zinc/99/05/33/1256990533.db2.gz WHJGCYWMWAFAGL-SJORKVTESA-N 1 2 340.427 2.054 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c4ncccc34)C[C@H]21 ZINC001074403438 1256990539 /nfs/dbraw/zinc/99/05/39/1256990539.db2.gz WHJGCYWMWAFAGL-SJORKVTESA-N 1 2 340.427 2.054 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c4ncccc34)C[C@@H]21 ZINC001074403435 1256990655 /nfs/dbraw/zinc/99/06/55/1256990655.db2.gz WHJGCYWMWAFAGL-DLBZAZTESA-N 1 2 340.427 2.054 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c4ncccc34)C[C@@H]21 ZINC001074403435 1256990658 /nfs/dbraw/zinc/99/06/58/1256990658.db2.gz WHJGCYWMWAFAGL-DLBZAZTESA-N 1 2 340.427 2.054 20 30 EEEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ccc(F)cn1 ZINC001098982547 1257906351 /nfs/dbraw/zinc/90/63/51/1257906351.db2.gz LOQNYAGVXRJMFK-CJNGLKHVSA-N 1 2 332.423 2.487 20 30 EEEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ccc(F)cn1 ZINC001098982547 1257906357 /nfs/dbraw/zinc/90/63/57/1257906357.db2.gz LOQNYAGVXRJMFK-CJNGLKHVSA-N 1 2 332.423 2.487 20 30 EEEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccc(F)cn1 ZINC001098982550 1257907096 /nfs/dbraw/zinc/90/70/96/1257907096.db2.gz LOQNYAGVXRJMFK-XJKSGUPXSA-N 1 2 332.423 2.487 20 30 EEEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccc(F)cn1 ZINC001098982550 1257907102 /nfs/dbraw/zinc/90/71/02/1257907102.db2.gz LOQNYAGVXRJMFK-XJKSGUPXSA-N 1 2 332.423 2.487 20 30 EEEDLO C#CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nccn1C ZINC001099048831 1257940538 /nfs/dbraw/zinc/94/05/38/1257940538.db2.gz KTUXSRZXHCNKDA-INIZCTEOSA-N 1 2 330.476 2.330 20 30 EEEDLO C#CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nccn1C ZINC001099048831 1257940542 /nfs/dbraw/zinc/94/05/42/1257940542.db2.gz KTUXSRZXHCNKDA-INIZCTEOSA-N 1 2 330.476 2.330 20 30 EEEDLO C#CC[NH2+]Cc1cn(-c2cccc(CNC(=O)CCCCC)c2)nn1 ZINC001099600511 1258251781 /nfs/dbraw/zinc/25/17/81/1258251781.db2.gz PXTJMYKEHOABET-UHFFFAOYSA-N 1 2 339.443 2.187 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](Cc2c(F)cccc2F)C[C@H]1O ZINC001099855240 1258422194 /nfs/dbraw/zinc/42/21/94/1258422194.db2.gz FBCVSYIIWPIPJA-DLBZAZTESA-N 1 2 338.398 2.373 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2c(F)cccc2F)C[C@H]1O ZINC001099855240 1258422197 /nfs/dbraw/zinc/42/21/97/1258422197.db2.gz FBCVSYIIWPIPJA-DLBZAZTESA-N 1 2 338.398 2.373 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C)no1 ZINC001110366365 1278734996 /nfs/dbraw/zinc/73/49/96/1278734996.db2.gz QHFSYLIZUUMJAU-ABFRBSLYSA-N 1 2 333.432 2.186 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C)no1 ZINC001110366365 1278735004 /nfs/dbraw/zinc/73/50/04/1278735004.db2.gz QHFSYLIZUUMJAU-ABFRBSLYSA-N 1 2 333.432 2.186 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)C3(CC)CCCC3)C2)nn1 ZINC001186019334 1278912478 /nfs/dbraw/zinc/91/24/78/1278912478.db2.gz PCHWSCCNDKYLFG-KRWDZBQOSA-N 1 2 343.475 2.135 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2cnsn2)C[N@@H+]1Cc1ccccc1C#N ZINC001071371014 1287274259 /nfs/dbraw/zinc/27/42/59/1287274259.db2.gz GWFNGVMJIAEKIM-SWLSCSKDSA-N 1 2 341.440 2.193 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2cnsn2)C[N@H+]1Cc1ccccc1C#N ZINC001071371014 1287274264 /nfs/dbraw/zinc/27/42/64/1287274264.db2.gz GWFNGVMJIAEKIM-SWLSCSKDSA-N 1 2 341.440 2.193 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(F)c(OC)c2F)C1=O ZINC001273537830 1279469015 /nfs/dbraw/zinc/46/90/15/1279469015.db2.gz NSFMXONVTVZQIG-GOSISDBHSA-N 1 2 334.366 2.174 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(F)c(OC)c2F)C1=O ZINC001273537830 1279469022 /nfs/dbraw/zinc/46/90/22/1279469022.db2.gz NSFMXONVTVZQIG-GOSISDBHSA-N 1 2 334.366 2.174 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nnc(C)o3)C[C@H]21 ZINC001187591190 1279583370 /nfs/dbraw/zinc/58/33/70/1279583370.db2.gz FSGMHQGNJWSOJR-CWRNSKLLSA-N 1 2 330.432 2.165 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3nnc(C)o3)C[C@H]21 ZINC001187591190 1279583376 /nfs/dbraw/zinc/58/33/76/1279583376.db2.gz FSGMHQGNJWSOJR-CWRNSKLLSA-N 1 2 330.432 2.165 20 30 EEEDLO CCCCCCCCS(=O)(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001188010556 1279729013 /nfs/dbraw/zinc/72/90/13/1279729013.db2.gz MUXUKEVVZJGDLU-KRWDZBQOSA-N 1 2 346.537 2.473 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CCCOCC)C1 ZINC001189031898 1280110401 /nfs/dbraw/zinc/11/04/01/1280110401.db2.gz NSNWWAYQKONNHY-ZDUSSCGKSA-N 1 2 333.270 2.244 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)CCCOCC)C1 ZINC001189031898 1280110409 /nfs/dbraw/zinc/11/04/09/1280110409.db2.gz NSNWWAYQKONNHY-ZDUSSCGKSA-N 1 2 333.270 2.244 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([N@H+](C)Cc2nnc(-c3ccco3)o2)C1 ZINC001189318939 1280256710 /nfs/dbraw/zinc/25/67/10/1280256710.db2.gz SNWZLBXQVIFKLX-ZDUSSCGKSA-N 1 2 330.388 2.329 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2nnc(-c3ccco3)o2)C1 ZINC001189318939 1280256715 /nfs/dbraw/zinc/25/67/15/1280256715.db2.gz SNWZLBXQVIFKLX-ZDUSSCGKSA-N 1 2 330.388 2.329 20 30 EEEDLO C=CCOCC(=O)N1CCC([C@H]2CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001110410390 1280371140 /nfs/dbraw/zinc/37/11/40/1280371140.db2.gz NUVDQEVXZBQQEA-KRWDZBQOSA-N 1 2 344.459 2.053 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC001189865280 1280524375 /nfs/dbraw/zinc/52/43/75/1280524375.db2.gz DXDXYDPPPLDWFA-RHSMWYFYSA-N 1 2 337.489 2.065 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC001189865280 1280524387 /nfs/dbraw/zinc/52/43/87/1280524387.db2.gz DXDXYDPPPLDWFA-RHSMWYFYSA-N 1 2 337.489 2.065 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(F)c2)C1 ZINC001189927295 1280562213 /nfs/dbraw/zinc/56/22/13/1280562213.db2.gz XEAAQXWGOYZTBA-KRWDZBQOSA-N 1 2 345.418 2.100 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(F)c2)C1 ZINC001189927295 1280562221 /nfs/dbraw/zinc/56/22/21/1280562221.db2.gz XEAAQXWGOYZTBA-KRWDZBQOSA-N 1 2 345.418 2.100 20 30 EEEDLO C#CCOCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC001190120737 1280695135 /nfs/dbraw/zinc/69/51/35/1280695135.db2.gz LSXGEGXNZFQZBE-OAHLLOKOSA-N 1 2 347.459 2.045 20 30 EEEDLO C#CCOCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)(C)C)o2)C1 ZINC001190120737 1280695145 /nfs/dbraw/zinc/69/51/45/1280695145.db2.gz LSXGEGXNZFQZBE-OAHLLOKOSA-N 1 2 347.459 2.045 20 30 EEEDLO O=C(CC#Cc1ccccc1)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001190289223 1280799042 /nfs/dbraw/zinc/79/90/42/1280799042.db2.gz CPRGFMYCZQVVAB-PKOBYXMFSA-N 1 2 335.407 2.149 20 30 EEEDLO O=C(CC#Cc1ccccc1)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001190289223 1280799046 /nfs/dbraw/zinc/79/90/46/1280799046.db2.gz CPRGFMYCZQVVAB-PKOBYXMFSA-N 1 2 335.407 2.149 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001190459118 1280913562 /nfs/dbraw/zinc/91/35/62/1280913562.db2.gz VABKGORBBCJIRW-IJEWVQPXSA-N 1 2 349.500 2.329 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001190459118 1280913565 /nfs/dbraw/zinc/91/35/65/1280913565.db2.gz VABKGORBBCJIRW-IJEWVQPXSA-N 1 2 349.500 2.329 20 30 EEEDLO CCN(CCn1cc[nH+]c1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190964364 1281154277 /nfs/dbraw/zinc/15/42/77/1281154277.db2.gz RZKQCGPBGKAZPR-UHFFFAOYSA-N 1 2 338.820 2.119 20 30 EEEDLO C=CCCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3cc(OC)no3)C2)CC1 ZINC001192206876 1281859374 /nfs/dbraw/zinc/85/93/74/1281859374.db2.gz ROAYSOCXAUNEQD-AWEZNQCLSA-N 1 2 333.432 2.462 20 30 EEEDLO C=CCCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3cc(OC)no3)C2)CC1 ZINC001192206876 1281859379 /nfs/dbraw/zinc/85/93/79/1281859379.db2.gz ROAYSOCXAUNEQD-AWEZNQCLSA-N 1 2 333.432 2.462 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(Cl)cc2)C[C@H]1O ZINC001192804591 1282180069 /nfs/dbraw/zinc/18/00/69/1282180069.db2.gz FXQCOIQKAPIVSN-IAOVAPTHSA-N 1 2 334.847 2.222 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(Cl)cc2)C[C@H]1O ZINC001192804591 1282180073 /nfs/dbraw/zinc/18/00/73/1282180073.db2.gz FXQCOIQKAPIVSN-IAOVAPTHSA-N 1 2 334.847 2.222 20 30 EEEDLO Cc1cc(C#N)cc(C(=O)N2CC[NH+](CCc3ccccn3)CC2)c1 ZINC001195420059 1283572358 /nfs/dbraw/zinc/57/23/58/1283572358.db2.gz HNIPTZWENRKCRZ-UHFFFAOYSA-N 1 2 334.423 2.262 20 30 EEEDLO C#CCCCC(=O)N1CCC[N@@H+](CC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC001195645415 1283643134 /nfs/dbraw/zinc/64/31/34/1283643134.db2.gz 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1285023136 /nfs/dbraw/zinc/02/31/36/1285023136.db2.gz URYZTKQCWBQIKG-GOSISDBHSA-N 1 2 329.469 2.222 20 30 EEEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)c1cn[nH]c1)c1ccccc1OC ZINC001198565041 1285225260 /nfs/dbraw/zinc/22/52/60/1285225260.db2.gz BUTKRUSNQUEEFE-CQSZACIVSA-N 1 2 334.807 2.232 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)c1cncn1C)c1ccccc1OC ZINC001198786697 1285334479 /nfs/dbraw/zinc/33/44/79/1285334479.db2.gz XRMXJNBCCOVXTR-AWEZNQCLSA-N 1 2 348.834 2.242 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC(CC)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001069544005 1285859508 /nfs/dbraw/zinc/85/95/08/1285859508.db2.gz FGIJMGQBIISWSM-LSDHHAIUSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3nc(C)c(C)s3)c2C1 ZINC001069882678 1286215434 /nfs/dbraw/zinc/21/54/34/1286215434.db2.gz UOXYHGFDUMKOEY-UHFFFAOYSA-N 1 2 345.472 2.278 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3nc(C)c(C)s3)c2C1 ZINC001069882678 1286215436 /nfs/dbraw/zinc/21/54/36/1286215436.db2.gz UOXYHGFDUMKOEY-UHFFFAOYSA-N 1 2 345.472 2.278 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C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)/C=C/c1ccc[nH]1)C[C@H](C)O2 ZINC001071161467 1286890850 /nfs/dbraw/zinc/89/08/50/1286890850.db2.gz KEZDEKQPZBKJSH-PWSDSBMBSA-N 1 2 349.862 2.472 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1nocc1C)C[C@H](C)O2 ZINC001071227285 1286963609 /nfs/dbraw/zinc/96/36/09/1286963609.db2.gz CGYPYNKNCVRHDR-XJKSGUPXSA-N 1 2 339.823 2.041 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nocc1C)C[C@H](C)O2 ZINC001071227285 1286963612 /nfs/dbraw/zinc/96/36/12/1286963612.db2.gz CGYPYNKNCVRHDR-XJKSGUPXSA-N 1 2 339.823 2.041 20 30 EEEDLO CC1(NC(=O)Cc2c[nH]c[nH+]2)CCN(c2cccc(F)c2C#N)CC1 ZINC001110609929 1290975453 /nfs/dbraw/zinc/97/54/53/1290975453.db2.gz DOGGRQXHZIHYKQ-UHFFFAOYSA-N 1 2 341.390 2.138 20 30 EEEDLO C#CCN(C(=O)c1[nH]ccc1C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110625382 1291770956 /nfs/dbraw/zinc/77/09/56/1291770956.db2.gz VCEFTGGBGLEFKI-UHFFFAOYSA-N 1 2 337.427 2.166 20 30 EEEDLO Cc1cc(N2CCOC[C@H](C)C2)c(C#N)c(N2CCOC[C@@H](C)C2)[nH+]1 ZINC000853457300 1292388275 /nfs/dbraw/zinc/38/82/75/1292388275.db2.gz BYANSRPSMOZBHW-CABCVRRESA-N 1 2 344.459 2.207 20 30 EEEDLO C#C[C@](C)(CC)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000854701052 1292923259 /nfs/dbraw/zinc/92/32/59/1292923259.db2.gz LJDKCCBGCIKWFF-LJQANCHMSA-N 1 2 338.411 2.444 20 30 EEEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccccc2SCC#N)[C@H](C)CO1 ZINC000855413573 1293208581 /nfs/dbraw/zinc/20/85/81/1293208581.db2.gz NGSTVUXWLQOFRF-ZIAGYGMSSA-N 1 2 333.457 2.141 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccccc2SCC#N)[C@H](C)CO1 ZINC000855413573 1293208591 /nfs/dbraw/zinc/20/85/91/1293208591.db2.gz NGSTVUXWLQOFRF-ZIAGYGMSSA-N 1 2 333.457 2.141 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095314391 1293378086 /nfs/dbraw/zinc/37/80/86/1293378086.db2.gz HQFXWPJSFXGMMN-HOCLYGCPSA-N 1 2 342.443 2.104 20 30 EEEDLO C#CCCCC(=O)NCCOCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001115209847 1293940736 /nfs/dbraw/zinc/94/07/36/1293940736.db2.gz NIMAVTUZOPLGET-UHFFFAOYSA-N 1 2 344.459 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332.791 2.495 20 30 EEEDLO Cc1ccc(C#N)c(NC(=O)[C@@H]2CC23C[NH+](Cc2cncn2C)C3)c1 ZINC001278248168 1308908955 /nfs/dbraw/zinc/90/89/55/1308908955.db2.gz VDHPKMRUGITUCI-INIZCTEOSA-N 1 2 335.411 2.061 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(C)C[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001120561754 1309611782 /nfs/dbraw/zinc/61/17/82/1309611782.db2.gz KLHOKMDGUNLMKN-SJCJKPOMSA-N 1 2 330.436 2.224 20 30 EEEDLO C#CCN(CC#CC)c1nnc([C@H](C)[N@H+](C)Cc2ccccc2)n1C ZINC001121417609 1310009952 /nfs/dbraw/zinc/00/99/52/1310009952.db2.gz BBPCUJMEOAOMMQ-KRWDZBQOSA-N 1 2 335.455 2.471 20 30 EEEDLO C#CCN(CC#CC)c1nnc([C@H](C)[N@@H+](C)Cc2ccccc2)n1C ZINC001121417609 1310009961 /nfs/dbraw/zinc/00/99/61/1310009961.db2.gz BBPCUJMEOAOMMQ-KRWDZBQOSA-N 1 2 335.455 2.471 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001121620320 1310074511 /nfs/dbraw/zinc/07/45/11/1310074511.db2.gz LZPPNFLEKPPAHL-GOSISDBHSA-N 1 2 344.463 2.184 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3n[nH]nc32)CC1 ZINC001161030083 1320361047 /nfs/dbraw/zinc/36/10/47/1320361047.db2.gz VUJOAFIEXQHALV-CQSZACIVSA-N 1 2 349.866 2.116 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3n[nH]nc32)CC1 ZINC001161030083 1320361050 /nfs/dbraw/zinc/36/10/50/1320361050.db2.gz VUJOAFIEXQHALV-CQSZACIVSA-N 1 2 349.866 2.116 20 30 EEEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cccnc1NC)CCC2 ZINC001138690819 1314645291 /nfs/dbraw/zinc/64/52/91/1314645291.db2.gz WGUKXJLOMNDFCE-UHFFFAOYSA-N 1 2 327.432 2.428 20 30 EEEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cccnc1NC)CCC2 ZINC001138690819 1314645292 /nfs/dbraw/zinc/64/52/92/1314645292.db2.gz WGUKXJLOMNDFCE-UHFFFAOYSA-N 1 2 327.432 2.428 20 30 EEEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C(=O)[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000839961635 1315265578 /nfs/dbraw/zinc/26/55/78/1315265578.db2.gz XKDQZIRJPGWWPX-HKUYNNGSSA-N 1 2 325.412 2.118 20 30 EEEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C(=O)[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000839961635 1315265582 /nfs/dbraw/zinc/26/55/82/1315265582.db2.gz XKDQZIRJPGWWPX-HKUYNNGSSA-N 1 2 325.412 2.118 20 30 EEEDLO COc1ccc(C(N)=[NH+]O[C@H](C(=O)NC2CCCC2)C(C)C)cc1 ZINC000842020468 1315651698 /nfs/dbraw/zinc/65/16/98/1315651698.db2.gz BHWAISOVWRFYOX-INIZCTEOSA-N 1 2 333.432 2.416 20 30 EEEDLO C#CCCCC(=O)NC[C@H]1C[N@H+](Cc2ncoc2C(C)C)CCCO1 ZINC001149640890 1316004037 /nfs/dbraw/zinc/00/40/37/1316004037.db2.gz WBDSWUVBGGGGLL-INIZCTEOSA-N 1 2 347.459 2.309 20 30 EEEDLO C#CCCCC(=O)NC[C@H]1C[N@@H+](Cc2ncoc2C(C)C)CCCO1 ZINC001149640890 1316004041 /nfs/dbraw/zinc/00/40/41/1316004041.db2.gz WBDSWUVBGGGGLL-INIZCTEOSA-N 1 2 347.459 2.309 20 30 EEEDLO Cc1csc(C[N@@H+]2CCCO[C@@H](CNC(=O)C#CC(C)(C)C)C2)n1 ZINC001149701975 1316019993 /nfs/dbraw/zinc/01/99/93/1316019993.db2.gz WTWMMBDQVIVWCE-HNNXBMFYSA-N 1 2 349.500 2.208 20 30 EEEDLO Cc1csc(C[N@H+]2CCCO[C@@H](CNC(=O)C#CC(C)(C)C)C2)n1 ZINC001149701975 1316019998 /nfs/dbraw/zinc/01/99/98/1316019998.db2.gz WTWMMBDQVIVWCE-HNNXBMFYSA-N 1 2 349.500 2.208 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H]1C[N@H+](Cc2cc(C)n(C)n2)CCCO1 ZINC001149790010 1316048916 /nfs/dbraw/zinc/04/89/16/1316048916.db2.gz SXDGAARGPYZWGL-KRWDZBQOSA-N 1 2 348.491 2.038 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H]1C[N@@H+](Cc2cc(C)n(C)n2)CCCO1 ZINC001149790010 1316048922 /nfs/dbraw/zinc/04/89/22/1316048922.db2.gz SXDGAARGPYZWGL-KRWDZBQOSA-N 1 2 348.491 2.038 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C(C2CC2)C2CC2)C1 ZINC001150562911 1316300412 /nfs/dbraw/zinc/30/04/12/1316300412.db2.gz TZZFFEQVUGEMFS-OAHLLOKOSA-N 1 2 326.868 2.382 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C(C2CC2)C2CC2)C1 ZINC001150562911 1316300419 /nfs/dbraw/zinc/30/04/19/1316300419.db2.gz TZZFFEQVUGEMFS-OAHLLOKOSA-N 1 2 326.868 2.382 20 30 EEEDLO CC(C)c1noc([C@@H](C)[NH2+]CCNC(=O)CC#Cc2ccccc2)n1 ZINC001151958537 1316614243 /nfs/dbraw/zinc/61/42/43/1316614243.db2.gz JUWUKROWHGEUGO-OAHLLOKOSA-N 1 2 340.427 2.402 20 30 EEEDLO C=C[C@H](C(=O)NCC[NH2+]Cc1nnc(C(C)C)o1)c1ccccc1 ZINC001151990903 1316617860 /nfs/dbraw/zinc/61/78/60/1316617860.db2.gz SAGWLNYDGMDFNN-HNNXBMFYSA-N 1 2 328.416 2.369 20 30 EEEDLO C#CCC1(C(=O)NCC[NH2+]Cc2nc(C3CC3)no2)CCCCC1 ZINC001153009030 1316758470 /nfs/dbraw/zinc/75/84/70/1316758470.db2.gz DFMOXCQZSXWNGD-UHFFFAOYSA-N 1 2 330.432 2.127 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C1(COC)CC1 ZINC001154295303 1317050665 /nfs/dbraw/zinc/05/06/65/1317050665.db2.gz AKWAEZCKUVGGFJ-GFCCVEGCSA-N 1 2 333.270 2.148 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C1(COC)CC1 ZINC001154295303 1317050675 /nfs/dbraw/zinc/05/06/75/1317050675.db2.gz AKWAEZCKUVGGFJ-GFCCVEGCSA-N 1 2 333.270 2.148 20 30 EEEDLO CCCCCCCC[C@@H](O)C[N@@H+]1CCc2c(nnn2C)[C@H]1COC ZINC001252126830 1317558959 /nfs/dbraw/zinc/55/89/59/1317558959.db2.gz TXFPUBZCHSWSDU-NVXWUHKLSA-N 1 2 338.496 2.472 20 30 EEEDLO CCCCCCCC[C@@H](O)C[N@H+]1CCc2c(nnn2C)[C@H]1COC ZINC001252126830 1317558966 /nfs/dbraw/zinc/55/89/66/1317558966.db2.gz TXFPUBZCHSWSDU-NVXWUHKLSA-N 1 2 338.496 2.472 20 30 EEEDLO CCCCCCCC[C@@H](O)CN[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001252140264 1317561102 /nfs/dbraw/zinc/56/11/02/1317561102.db2.gz OHRIIVTWKOGQST-IAGOWNOFSA-N 1 2 339.480 2.205 20 30 EEEDLO N#C[C@H]1C[NH2+]CCN1c1cc(F)ccc1Oc1ccc(Cl)nn1 ZINC001156327942 1317966362 /nfs/dbraw/zinc/96/63/62/1317966362.db2.gz UMFJXWACCULTSS-NSHDSACASA-N 1 2 333.754 2.363 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nc(C)oc2C)nc1 ZINC001156460454 1318021067 /nfs/dbraw/zinc/02/10/67/1318021067.db2.gz KPUQVRMZOHEMLL-CYBMUJFWSA-N 1 2 340.427 2.308 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nc(C)oc2C)nc1 ZINC001156460454 1318021074 /nfs/dbraw/zinc/02/10/74/1318021074.db2.gz KPUQVRMZOHEMLL-CYBMUJFWSA-N 1 2 340.427 2.308 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccon1 ZINC001156612047 1318106875 /nfs/dbraw/zinc/10/68/75/1318106875.db2.gz BIPCYJKPRSFAJK-OAHLLOKOSA-N 1 2 325.412 2.225 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccon1 ZINC001156612047 1318106885 /nfs/dbraw/zinc/10/68/85/1318106885.db2.gz BIPCYJKPRSFAJK-OAHLLOKOSA-N 1 2 325.412 2.225 20 30 EEEDLO CCC[N@H+](CCC#N)[C@H]1C[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC001256271150 1318700478 /nfs/dbraw/zinc/70/04/78/1318700478.db2.gz BQFKRCWZLUZNBY-UONOGXRCSA-N 1 2 339.436 2.163 20 30 EEEDLO CCC[N@@H+](CCC#N)[C@H]1C[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC001256271150 1318700483 /nfs/dbraw/zinc/70/04/83/1318700483.db2.gz BQFKRCWZLUZNBY-UONOGXRCSA-N 1 2 339.436 2.163 20 30 EEEDLO C=CCOCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)s1 ZINC001157706073 1318809980 /nfs/dbraw/zinc/80/99/80/1318809980.db2.gz VHUSIBCNRCSVHP-OAHLLOKOSA-N 1 2 337.489 2.467 20 30 EEEDLO C=CCOCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)s1 ZINC001157706073 1318809992 /nfs/dbraw/zinc/80/99/92/1318809992.db2.gz VHUSIBCNRCSVHP-OAHLLOKOSA-N 1 2 337.489 2.467 20 30 EEEDLO C=CCN(c1cc(N2CCC[C@H]2C(N)=O)nc[nH+]1)C1CCCCC1 ZINC001157850314 1318904503 /nfs/dbraw/zinc/90/45/03/1318904503.db2.gz KAZOHJBOFWKHFJ-HNNXBMFYSA-N 1 2 329.448 2.256 20 30 EEEDLO N#Cc1ccccc1S(=O)(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001258256891 1319220079 /nfs/dbraw/zinc/22/00/79/1319220079.db2.gz PAZRHGRYOZVCED-INIZCTEOSA-N 1 2 343.408 2.185 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)COCCC)CC1 ZINC001159481148 1319829695 /nfs/dbraw/zinc/82/96/95/1319829695.db2.gz WYDBKWPQOLGTKM-UHFFFAOYSA-N 1 2 345.281 2.460 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)COCCC)CC1 ZINC001159481148 1319829705 /nfs/dbraw/zinc/82/97/05/1319829705.db2.gz WYDBKWPQOLGTKM-UHFFFAOYSA-N 1 2 345.281 2.460 20 30 EEEDLO Cc1cnc(C[N@H+]2CC=C(CCNC(=O)c3ccc(C#N)[nH]3)CC2)o1 ZINC001159834806 1320000864 /nfs/dbraw/zinc/00/08/64/1320000864.db2.gz JYWYGISJYHMAHE-UHFFFAOYSA-N 1 2 339.399 2.135 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC=C(CCNC(=O)c3ccc(C#N)[nH]3)CC2)o1 ZINC001159834806 1320000868 /nfs/dbraw/zinc/00/08/68/1320000868.db2.gz JYWYGISJYHMAHE-UHFFFAOYSA-N 1 2 339.399 2.135 20 30 EEEDLO C[C@@H](c1nncn1C)[N@H+]1CC=C(CCNC(=O)C#CC(C)(C)C)CC1 ZINC001160085021 1320067296 /nfs/dbraw/zinc/06/72/96/1320067296.db2.gz ZSDDVMRCSMTSCI-HNNXBMFYSA-N 1 2 343.475 2.064 20 30 EEEDLO C[C@@H](c1nncn1C)[N@@H+]1CC=C(CCNC(=O)C#CC(C)(C)C)CC1 ZINC001160085021 1320067300 /nfs/dbraw/zinc/06/73/00/1320067300.db2.gz ZSDDVMRCSMTSCI-HNNXBMFYSA-N 1 2 343.475 2.064 20 30 EEEDLO C#CCC1(C(=O)NCCC2=CC[N@H+](Cc3cnns3)CC2)CCC1 ZINC001160324822 1320132154 /nfs/dbraw/zinc/13/21/54/1320132154.db2.gz SBPKIXWFXSKPCH-UHFFFAOYSA-N 1 2 344.484 2.370 20 30 EEEDLO C#CCC1(C(=O)NCCC2=CC[N@@H+](Cc3cnns3)CC2)CCC1 ZINC001160324822 1320132156 /nfs/dbraw/zinc/13/21/56/1320132156.db2.gz SBPKIXWFXSKPCH-UHFFFAOYSA-N 1 2 344.484 2.370 20 30 EEEDLO CC#CCCCC(=O)NCCC1=CC[N@H+](Cc2cn(CC)nn2)CC1 ZINC001160953873 1320330631 /nfs/dbraw/zinc/33/06/31/1320330631.db2.gz KGOBKJQLMSJGQF-UHFFFAOYSA-N 1 2 343.475 2.130 20 30 EEEDLO CC#CCCCC(=O)NCCC1=CC[N@@H+](Cc2cn(CC)nn2)CC1 ZINC001160953873 1320330637 /nfs/dbraw/zinc/33/06/37/1320330637.db2.gz KGOBKJQLMSJGQF-UHFFFAOYSA-N 1 2 343.475 2.130 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1Cc1ccccc1O ZINC001203551842 1321910726 /nfs/dbraw/zinc/91/07/26/1321910726.db2.gz QBPOQPHBFQKGQS-MRXNPFEDSA-N 1 2 328.416 2.306 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1Cc1ccccc1O ZINC001203551842 1321910728 /nfs/dbraw/zinc/91/07/28/1321910728.db2.gz QBPOQPHBFQKGQS-MRXNPFEDSA-N 1 2 328.416 2.306 20 30 EEEDLO CC(C)Oc1ccc(C[NH+]2CCN(c3nccnc3C#N)CC2)cc1 ZINC001204454579 1322149186 /nfs/dbraw/zinc/14/91/86/1322149186.db2.gz CKIFGBHULHLIKD-UHFFFAOYSA-N 1 2 337.427 2.458 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001263301267 1322455455 /nfs/dbraw/zinc/45/54/55/1322455455.db2.gz MBRVSRUPGPJUCC-IKGGRYGDSA-N 1 2 345.491 2.484 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001263301267 1322455459 /nfs/dbraw/zinc/45/54/59/1322455459.db2.gz MBRVSRUPGPJUCC-IKGGRYGDSA-N 1 2 345.491 2.484 20 30 EEEDLO CCOCCCn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)C[C@H](C)C#N ZINC001263368948 1322471847 /nfs/dbraw/zinc/47/18/47/1322471847.db2.gz IEBWUUPPUXOCFB-CABCVRRESA-N 1 2 334.468 2.067 20 30 EEEDLO CCOCCCn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)C[C@H](C)C#N ZINC001263368948 1322471849 /nfs/dbraw/zinc/47/18/49/1322471849.db2.gz IEBWUUPPUXOCFB-CABCVRRESA-N 1 2 334.468 2.067 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2nc3ccc(F)cc3o2)C[C@H]1C ZINC001206579224 1323537704 /nfs/dbraw/zinc/53/77/04/1323537704.db2.gz SFAQNQRWAYWHCH-IUODEOHRSA-N 1 2 347.390 2.106 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2nc3ccc(F)cc3o2)C[C@H]1C ZINC001206579224 1323537709 /nfs/dbraw/zinc/53/77/09/1323537709.db2.gz SFAQNQRWAYWHCH-IUODEOHRSA-N 1 2 347.390 2.106 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2csc(CCC)n2)C[C@H]1C ZINC001206963713 1323751187 /nfs/dbraw/zinc/75/11/87/1323751187.db2.gz MDABPEIYCNRMSQ-IJEWVQPXSA-N 1 2 349.500 2.070 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2csc(CCC)n2)C[C@H]1C ZINC001206963713 1323751191 /nfs/dbraw/zinc/75/11/91/1323751191.db2.gz MDABPEIYCNRMSQ-IJEWVQPXSA-N 1 2 349.500 2.070 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2cccc3n[nH]cc32)cc1C#N ZINC001279126255 1323836470 /nfs/dbraw/zinc/83/64/70/1323836470.db2.gz NIIGRRREDXCSST-HDICACEKSA-N 1 2 346.438 2.232 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2cccc3n[nH]cc32)cc1C#N ZINC001279126255 1323836471 /nfs/dbraw/zinc/83/64/71/1323836471.db2.gz NIIGRRREDXCSST-HDICACEKSA-N 1 2 346.438 2.232 20 30 EEEDLO Cn1cc(C[N@H+]2Cc3nccn3C[C@@H](COCC3CC3)C2)cc1C#N ZINC001207104937 1323850533 /nfs/dbraw/zinc/85/05/33/1323850533.db2.gz LIUPBENGLJGCNI-KRWDZBQOSA-N 1 2 339.443 2.152 20 30 EEEDLO Cn1cc(C[N@@H+]2Cc3nccn3C[C@@H](COCC3CC3)C2)cc1C#N ZINC001207104937 1323850539 /nfs/dbraw/zinc/85/05/39/1323850539.db2.gz LIUPBENGLJGCNI-KRWDZBQOSA-N 1 2 339.443 2.152 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2[nH]nc3ccccc32)cc1C#N ZINC001279663107 1323973807 /nfs/dbraw/zinc/97/38/07/1323973807.db2.gz ZUOBZWKCGJKMQM-CALCHBBNSA-N 1 2 346.438 2.232 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2[nH]nc3ccccc32)cc1C#N ZINC001279663107 1323973811 /nfs/dbraw/zinc/97/38/11/1323973811.db2.gz ZUOBZWKCGJKMQM-CALCHBBNSA-N 1 2 346.438 2.232 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3nccn3CC)C[C@H]2C)CCC1 ZINC001207510688 1323999998 /nfs/dbraw/zinc/99/99/98/1323999998.db2.gz UIGIKEOLPZHHDE-HZPDHXFCSA-N 1 2 328.460 2.033 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3nccn3CC)C[C@H]2C)CCC1 ZINC001207510688 1324000003 /nfs/dbraw/zinc/00/00/03/1324000003.db2.gz UIGIKEOLPZHHDE-HZPDHXFCSA-N 1 2 328.460 2.033 20 30 EEEDLO C=CCOCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2nc(C(C)C)no2)C1 ZINC001207680482 1324086652 /nfs/dbraw/zinc/08/66/52/1324086652.db2.gz OPJIWAAETCOIQZ-KGLIPLIRSA-N 1 2 336.436 2.037 20 30 EEEDLO Cn1cc(C[N@@H+]2CCC23CN(c2ccnc4ccncc42)C3)cc1C#N ZINC001280107646 1324087682 /nfs/dbraw/zinc/08/76/82/1324087682.db2.gz ZGAGMDNWJNAGSC-UHFFFAOYSA-N 1 2 344.422 2.305 20 30 EEEDLO Cn1cc(C[N@H+]2CCC23CN(c2ccnc4ccncc42)C3)cc1C#N ZINC001280107646 1324087688 /nfs/dbraw/zinc/08/76/88/1324087688.db2.gz ZGAGMDNWJNAGSC-UHFFFAOYSA-N 1 2 344.422 2.305 20 30 EEEDLO C=CCOCCCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC001207740789 1324119269 /nfs/dbraw/zinc/11/92/69/1324119269.db2.gz GAKCDUZGYTZGAO-HIFRSBDPSA-N 1 2 336.436 2.002 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(C(C)C)c1C ZINC001316602320 1324130681 /nfs/dbraw/zinc/13/06/81/1324130681.db2.gz UGTDAHZHICCLLK-QGZVFWFLSA-N 1 2 331.460 2.174 20 30 EEEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(C(C)C)c1C ZINC001316602320 1324130687 /nfs/dbraw/zinc/13/06/87/1324130687.db2.gz UGTDAHZHICCLLK-QGZVFWFLSA-N 1 2 331.460 2.174 20 30 EEEDLO CC(C)C#CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nc(C3CC3)no2)C1 ZINC001207992725 1324252682 /nfs/dbraw/zinc/25/26/82/1324252682.db2.gz QMDMXUQSSCWPDG-ZFWWWQNUSA-N 1 2 330.432 2.248 20 30 EEEDLO CC(C)C#CC(=O)N1CCC[C@@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC001208008914 1324262062 /nfs/dbraw/zinc/26/20/62/1324262062.db2.gz NWXXVXQYKYHELQ-OAHLLOKOSA-N 1 2 342.399 2.070 20 30 EEEDLO C=CCOC(=O)N1CC[NH+](CCc2cccnc2OC(C)C)CC1 ZINC001208800651 1324672309 /nfs/dbraw/zinc/67/23/09/1324672309.db2.gz DBROBAQFXXPGOB-UHFFFAOYSA-N 1 2 333.432 2.352 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)c(OC)co2)C[C@H]1C ZINC001208953855 1324734179 /nfs/dbraw/zinc/73/41/79/1324734179.db2.gz AJZAGTUAGAXWFG-UKRRQHHQSA-N 1 2 348.443 2.187 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)c(OC)co2)C[C@H]1C ZINC001208953855 1324734182 /nfs/dbraw/zinc/73/41/82/1324734182.db2.gz AJZAGTUAGAXWFG-UKRRQHHQSA-N 1 2 348.443 2.187 20 30 EEEDLO C#C[C@H](COc1cccc(C(F)(F)F)c1)OCC[NH+]1CCOCC1 ZINC001210224946 1325206760 /nfs/dbraw/zinc/20/67/60/1325206760.db2.gz LEYVZEIVLARSOI-OAHLLOKOSA-N 1 2 343.345 2.435 20 30 EEEDLO C#CC1CCN(c2nnc([C@H]3C[N@H+](C(C)C)CCO3)n2CC=C)CC1 ZINC001340204840 1337136899 /nfs/dbraw/zinc/13/68/99/1337136899.db2.gz HEUWLAOPDCSCGF-QGZVFWFLSA-N 1 2 343.475 2.095 20 30 EEEDLO C#CC1CCN(c2nnc([C@H]3C[N@@H+](C(C)C)CCO3)n2CC=C)CC1 ZINC001340204840 1337136901 /nfs/dbraw/zinc/13/69/01/1337136901.db2.gz HEUWLAOPDCSCGF-QGZVFWFLSA-N 1 2 343.475 2.095 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H](COCC)C1 ZINC001340592841 1337212008 /nfs/dbraw/zinc/21/20/08/1337212008.db2.gz DKYQSKVUBAFLMJ-OAHLLOKOSA-N 1 2 344.463 2.041 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC(C)CC1 ZINC001342028196 1337307554 /nfs/dbraw/zinc/30/75/54/1337307554.db2.gz WZYJPGCAWJJQOE-UHFFFAOYSA-N 1 2 347.507 2.295 20 30 EEEDLO C#Cc1ccc(C(=O)NCCN(CC)c2nc(C)[nH+]c(C)c2C)nc1 ZINC001100571924 1338516671 /nfs/dbraw/zinc/51/66/71/1338516671.db2.gz DTOQACSPBUQMJS-UHFFFAOYSA-N 1 2 337.427 2.034 20 30 EEEDLO CC[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001433311517 1341557015 /nfs/dbraw/zinc/55/70/15/1341557015.db2.gz JYIUWMMKELBURW-HRCADAONSA-N 1 2 348.495 2.108 20 30 EEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H](CC(C)C)C(=O)OC ZINC001588648590 1348927655 /nfs/dbraw/zinc/92/76/55/1348927655.db2.gz MOJNIQXZHCBOIG-MRXNPFEDSA-N 1 2 343.431 2.442 20 30 EEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H](CC(C)C)C(=O)OC ZINC001588648590 1348927658 /nfs/dbraw/zinc/92/76/58/1348927658.db2.gz MOJNIQXZHCBOIG-MRXNPFEDSA-N 1 2 343.431 2.442 20 30 EEEDLO C[C@H]([NH2+][C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1cccc(C#N)c1O ZINC001589953493 1349077079 /nfs/dbraw/zinc/07/70/79/1349077079.db2.gz FPKYNIMQOAFATD-ZBEGNZNMSA-N 1 2 346.394 2.262 20 30 EEEDLO O=C1C(=Cc2cccc3[nH+]ccn32)Cc2ccc(-c3nn[nH]n3)cc21 ZINC001593381008 1349795028 /nfs/dbraw/zinc/79/50/28/1349795028.db2.gz VYPOBFLUNFWNBG-LCYFTJDESA-N 1 2 328.335 2.337 20 30 EEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC001602696090 1350574718 /nfs/dbraw/zinc/57/47/18/1350574718.db2.gz AHAXPTRONRILHM-QGZVFWFLSA-N 1 2 345.406 2.368 20 30 EEEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC001602696090 1350574719 /nfs/dbraw/zinc/57/47/19/1350574719.db2.gz AHAXPTRONRILHM-QGZVFWFLSA-N 1 2 345.406 2.368 20 30 EEEDLO CC([NH2+]Nc1oc(CC(C)C)nc1-c1nn[nH]n1)=C1CC1(F)F ZINC001602911389 1350605372 /nfs/dbraw/zinc/60/53/72/1350605372.db2.gz DQQUQGKVRPTWSX-MRVPVSSYSA-N 1 2 325.323 2.496 20 30 EEEDLO CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@H](NC(=O)C#CC2CC2)C1 ZINC001660984114 1354568275 /nfs/dbraw/zinc/56/82/75/1354568275.db2.gz MWPKJQBAXJLPTE-SFHVURJKSA-N 1 2 347.503 2.019 20 30 EEEDLO CCCCN(CCCC)C(=O)C[N@H+]1CC[C@H](NC(=O)C#CC2CC2)C1 ZINC001660984114 1354568277 /nfs/dbraw/zinc/56/82/77/1354568277.db2.gz MWPKJQBAXJLPTE-SFHVURJKSA-N 1 2 347.503 2.019 20 30 EEEDLO Cc1ccnc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)n1 ZINC001088543472 1367291420 /nfs/dbraw/zinc/29/14/20/1367291420.db2.gz FATJOVYZQMPMAF-PBHICJAKSA-N 1 2 335.411 2.050 20 30 EEEDLO Cc1ccnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)n1 ZINC001088543472 1367291432 /nfs/dbraw/zinc/29/14/32/1367291432.db2.gz FATJOVYZQMPMAF-PBHICJAKSA-N 1 2 335.411 2.050 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](CCOc2c(C)cccc2C)C1 ZINC001030979611 1367488706 /nfs/dbraw/zinc/48/87/06/1367488706.db2.gz RHVABEDEDCRCMG-MSOLQXFVSA-N 1 2 344.455 2.074 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2csc(C)c2C)CC1 ZINC001195949666 1368580782 /nfs/dbraw/zinc/58/07/82/1368580782.db2.gz CJKRHWLHMTVPOT-CQSZACIVSA-N 1 2 349.500 2.204 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2csc(C)c2C)CC1 ZINC001195949666 1368580787 /nfs/dbraw/zinc/58/07/87/1368580787.db2.gz CJKRHWLHMTVPOT-CQSZACIVSA-N 1 2 349.500 2.204 20 30 EEEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1cncc(Cl)n1)CC2 ZINC001273835809 1368734222 /nfs/dbraw/zinc/73/42/22/1368734222.db2.gz KEAVVUACNRDQFK-AWEZNQCLSA-N 1 2 334.851 2.424 20 30 EEEDLO C#CCCCOc1cccnc1N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000853613971 1369358272 /nfs/dbraw/zinc/35/82/72/1369358272.db2.gz PPCKQOKGHUQWCF-DLBZAZTESA-N 1 2 329.444 2.173 20 30 EEEDLO Cc1nc(N2CC[C@@](C)(NC(=O)C#CC3CC3)C2)c2c([nH+]1)CCCC2 ZINC001110753840 1369422354 /nfs/dbraw/zinc/42/23/54/1369422354.db2.gz RLBAVGSPJXNJLZ-HXUWFJFHSA-N 1 2 338.455 2.162 20 30 EEEDLO Cc1cnc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3C#N)C2)cn1 ZINC001071324652 1370480877 /nfs/dbraw/zinc/48/08/77/1370480877.db2.gz OIAPPTVZMNHTNM-CRAIPNDOSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1cnc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ccccc3C#N)C2)cn1 ZINC001071324652 1370480878 /nfs/dbraw/zinc/48/08/78/1370480878.db2.gz OIAPPTVZMNHTNM-CRAIPNDOSA-N 1 2 349.438 2.440 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn(C(C)(C)C)nn2)CC[C@@H]1C ZINC001071556582 1370523711 /nfs/dbraw/zinc/52/37/11/1370523711.db2.gz NAZPKVMWCFVLAP-STQMWFEESA-N 1 2 339.871 2.368 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cn(C(C)(C)C)nn2)CC[C@@H]1C ZINC001071556582 1370523714 /nfs/dbraw/zinc/52/37/14/1370523714.db2.gz NAZPKVMWCFVLAP-STQMWFEESA-N 1 2 339.871 2.368 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2cc(C3CC3)cn2)CC[C@H]1C ZINC001071624428 1370537340 /nfs/dbraw/zinc/53/73/40/1370537340.db2.gz GXAFNXLYXLGBKB-CJNGLKHVSA-N 1 2 336.867 2.482 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2cc(C3CC3)cn2)CC[C@H]1C ZINC001071624428 1370537341 /nfs/dbraw/zinc/53/73/41/1370537341.db2.gz GXAFNXLYXLGBKB-CJNGLKHVSA-N 1 2 336.867 2.482 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)CC1(C)CCCC1)c1nccn12 ZINC001101625220 1371020711 /nfs/dbraw/zinc/02/07/11/1371020711.db2.gz ATCWCVIWPYUASN-INIZCTEOSA-N 1 2 340.471 2.449 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001104163639 1371145462 /nfs/dbraw/zinc/14/54/62/1371145462.db2.gz KYDBJVURPDXFBJ-OLZOCXBDSA-N 1 2 330.436 2.130 20 30 EEEDLO CC(C)C#CC(=O)NC1CC2(C1)CC([NH2+]Cc1noc(C3CC3)n1)C2 ZINC001121081414 1371857615 /nfs/dbraw/zinc/85/76/15/1371857615.db2.gz MHABDWFEQOKSGK-UHFFFAOYSA-N 1 2 342.443 2.123 20 30 EEEDLO C=CCOCC[NH2+]C1CC2(CC(NC(=O)C(F)C(F)(F)F)C2)C1 ZINC001121145153 1371860789 /nfs/dbraw/zinc/86/07/89/1371860789.db2.gz RWZIVEQNPAIWMF-VPTICVGPSA-N 1 2 338.345 2.106 20 30 EEEDLO C=CCOCC[NH2+]C1CC2(CC(NC(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001121145153 1371860792 /nfs/dbraw/zinc/86/07/92/1371860792.db2.gz RWZIVEQNPAIWMF-VPTICVGPSA-N 1 2 338.345 2.106 20 30 EEEDLO N#CC1(c2ccccc2F)CC[NH+](CC2C(=O)N=CNC2=O)CC1 ZINC001140474605 1372581721 /nfs/dbraw/zinc/58/17/21/1372581721.db2.gz QTBUMKSHDGIHIZ-UHFFFAOYSA-N 1 2 328.347 2.084 20 30 EEEDLO C=CC[C@H](CC)NC(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001353684980 1373016228 /nfs/dbraw/zinc/01/62/28/1373016228.db2.gz IQFRXHDYJWQMBY-IRXDYDNUSA-N 1 2 340.427 2.212 20 30 EEEDLO CCN(CCNC(=O)C[C@@H](C)n1cc[nH+]c1)c1snc(C)c1C#N ZINC001100732800 1373143604 /nfs/dbraw/zinc/14/36/04/1373143604.db2.gz YQAZEUSJZXQXGU-GFCCVEGCSA-N 1 2 346.460 2.114 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCOc2ccccc2F)C1 ZINC001366992156 1374077891 /nfs/dbraw/zinc/07/78/91/1374077891.db2.gz XFZFVUSGPBVQHK-UHFFFAOYSA-N 1 2 326.799 2.395 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)CC2(O)CCC2)C[C@@H]1C ZINC001368695274 1374450072 /nfs/dbraw/zinc/45/00/72/1374450072.db2.gz OSLGNWWBISBDIO-QWHCGFSZSA-N 1 2 345.281 2.169 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)CC2(O)CCC2)C[C@@H]1C ZINC001368695274 1374450069 /nfs/dbraw/zinc/45/00/69/1374450069.db2.gz OSLGNWWBISBDIO-QWHCGFSZSA-N 1 2 345.281 2.169 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1c(C)nc(C(C)C)[nH]c1=O ZINC001372057883 1375742999 /nfs/dbraw/zinc/74/29/99/1375742999.db2.gz LFRALGYMUHHXBG-UHFFFAOYSA-N 1 2 326.828 2.028 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1c(C)nc(C(C)C)[nH]c1=O ZINC001372057883 1375743000 /nfs/dbraw/zinc/74/30/00/1375743000.db2.gz LFRALGYMUHHXBG-UHFFFAOYSA-N 1 2 326.828 2.028 20 30 EEEDLO CCCc1cc(C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)no1 ZINC001372169163 1375827502 /nfs/dbraw/zinc/82/75/02/1375827502.db2.gz SEIOMZBSRZLYLK-UHFFFAOYSA-N 1 2 344.390 2.500 20 30 EEEDLO CCCc1cc(C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)no1 ZINC001372169163 1375827505 /nfs/dbraw/zinc/82/75/05/1375827505.db2.gz SEIOMZBSRZLYLK-UHFFFAOYSA-N 1 2 344.390 2.500 20 30 EEEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)c1cnn2c1CCC2)C1CC1 ZINC001372825882 1376230162 /nfs/dbraw/zinc/23/01/62/1376230162.db2.gz YWNZRQPEVRAQPK-UHFFFAOYSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)c1cnn2c1CCC2)C1CC1 ZINC001372825882 1376230167 /nfs/dbraw/zinc/23/01/67/1376230167.db2.gz YWNZRQPEVRAQPK-UHFFFAOYSA-N 1 2 349.438 2.095 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cn(CCC(C)C)nn1 ZINC001375106822 1377375579 /nfs/dbraw/zinc/37/55/79/1377375579.db2.gz SSOSSPHYROSCAR-ZDUSSCGKSA-N 1 2 327.860 2.127 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cn(CCC(C)C)nn1 ZINC001375106822 1377375584 /nfs/dbraw/zinc/37/55/84/1377375584.db2.gz SSOSSPHYROSCAR-ZDUSSCGKSA-N 1 2 327.860 2.127 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)COC2CCCC2)s1 ZINC001375297490 1377598670 /nfs/dbraw/zinc/59/86/70/1377598670.db2.gz NPOBSIJKZSQKKB-CYBMUJFWSA-N 1 2 333.457 2.269 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)COC2CCCC2)s1 ZINC001375297490 1377598671 /nfs/dbraw/zinc/59/86/71/1377598671.db2.gz NPOBSIJKZSQKKB-CYBMUJFWSA-N 1 2 333.457 2.269 20 30 EEEDLO CC(C)CO[C@@H](C)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001377958054 1379597178 /nfs/dbraw/zinc/59/71/78/1379597178.db2.gz WWODOEUHNKXWRC-AWEZNQCLSA-N 1 2 347.434 2.306 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1c(C)nc2ccnn2c1C ZINC001379077597 1380472124 /nfs/dbraw/zinc/47/21/24/1380472124.db2.gz OKGZVUPQAMRCIC-UHFFFAOYSA-N 1 2 335.839 2.102 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1c(C)nc2ccnn2c1C ZINC001379077597 1380472126 /nfs/dbraw/zinc/47/21/26/1380472126.db2.gz OKGZVUPQAMRCIC-UHFFFAOYSA-N 1 2 335.839 2.102 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)Cc2ccco2)cc1C#N ZINC001380014041 1380999331 /nfs/dbraw/zinc/99/93/31/1380999331.db2.gz DNJOOMSHJIGNFN-INIZCTEOSA-N 1 2 339.395 2.093 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)Cc2ccco2)cc1C#N ZINC001380014041 1380999335 /nfs/dbraw/zinc/99/93/35/1380999335.db2.gz DNJOOMSHJIGNFN-INIZCTEOSA-N 1 2 339.395 2.093 20 30 EEEDLO C=C(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncnn1CCF ZINC001752696672 1406342914 /nfs/dbraw/zinc/34/29/14/1406342914.db2.gz YORBOQMOBKMLLZ-MQVJKMGUSA-N 1 2 349.454 2.216 20 30 EEEDLO C=C(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncnn1CCF ZINC001752696672 1406342926 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N#Cc1cc(C[NH2+]C2(CNC(=O)[C@H](F)C(F)(F)F)CC2)ccc1F ZINC001401946606 1397682473 /nfs/dbraw/zinc/68/24/73/1397682473.db2.gz HKSDAABDZCSJBP-LBPRGKRZSA-N 1 2 347.287 2.336 20 30 EEEDLO CO[C@@H](C)c1nc(C[N@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)cs1 ZINC001402642060 1398112919 /nfs/dbraw/zinc/11/29/19/1398112919.db2.gz WAUURLCKSQTNJF-STQMWFEESA-N 1 2 338.477 2.290 20 30 EEEDLO CO[C@@H](C)c1nc(C[N@@H+](C)CCCN(C)C(=O)[C@@H](C)C#N)cs1 ZINC001402642060 1398112925 /nfs/dbraw/zinc/11/29/25/1398112925.db2.gz WAUURLCKSQTNJF-STQMWFEESA-N 1 2 338.477 2.290 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1nc(C2CC2)no1 ZINC001754861841 1406965791 /nfs/dbraw/zinc/96/57/91/1406965791.db2.gz HMJORVWCXKNBIL-GJZGRUSLSA-N 1 2 330.432 2.479 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1nc(C2CC2)no1 ZINC001754861841 1406965800 /nfs/dbraw/zinc/96/58/00/1406965800.db2.gz HMJORVWCXKNBIL-GJZGRUSLSA-N 1 2 330.432 2.479 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cccc(-n2ccnn2)c1 ZINC001422608682 1400077486 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349.434 2.363 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nnc(C)o2)CC1(C)C ZINC001755407982 1407418018 /nfs/dbraw/zinc/41/80/18/1407418018.db2.gz UVIRYXVJXMVELN-DZGCQCFKSA-N 1 2 332.448 2.459 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nnc(C)o2)CC1(C)C ZINC001755407982 1407418027 /nfs/dbraw/zinc/41/80/27/1407418027.db2.gz UVIRYXVJXMVELN-DZGCQCFKSA-N 1 2 332.448 2.459 20 30 EEEDLO Cc1nnc([C@H](C)[N@@H+]2C[C@@]3(C)CN(C(=O)C#CC(C)C)C[C@@]3(C)C2)o1 ZINC001755462220 1407496039 /nfs/dbraw/zinc/49/60/39/1407496039.db2.gz QLUZFAQAPHDPKB-ZOCIIQOWSA-N 1 2 344.459 2.269 20 30 EEEDLO Cc1nnc([C@H](C)[N@H+]2C[C@@]3(C)CN(C(=O)C#CC(C)C)C[C@@]3(C)C2)o1 ZINC001755462220 1407496044 /nfs/dbraw/zinc/49/60/44/1407496044.db2.gz QLUZFAQAPHDPKB-ZOCIIQOWSA-N 1 2 344.459 2.269 20 30 EEEDLO C=CCCC(=O)N[C@@H](C)C1CC[NH+](Cc2nnc(C3CC3)[nH]2)CC1 ZINC001755847310 1407898663 /nfs/dbraw/zinc/89/86/63/1407898663.db2.gz GPZHILLAHQOHPL-ZDUSSCGKSA-N 1 2 331.464 2.365 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)CCn2cc(Cl)cn2)CC1 ZINC001755899043 1407971786 /nfs/dbraw/zinc/97/17/86/1407971786.db2.gz CDLKWMZYLROWJF-UHFFFAOYSA-N 1 2 343.258 2.427 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)CCn2cc(Cl)cn2)CC1 ZINC001755899043 1407971788 /nfs/dbraw/zinc/97/17/88/1407971788.db2.gz CDLKWMZYLROWJF-UHFFFAOYSA-N 1 2 343.258 2.427 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001755927227 1408002963 /nfs/dbraw/zinc/00/29/63/1408002963.db2.gz YCUASXRNOHCGFU-HNAYVOBHSA-N 1 2 346.475 2.394 20 30 EEEDLO C=CCCCC(=O)N1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001756181444 1408205568 /nfs/dbraw/zinc/20/55/68/1408205568.db2.gz IVAUGIZFYWTSNS-OAHLLOKOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCCC(=O)N1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001756181444 1408205573 /nfs/dbraw/zinc/20/55/73/1408205573.db2.gz IVAUGIZFYWTSNS-OAHLLOKOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(C)CCC(=O)N(C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001756361456 1408372193 /nfs/dbraw/zinc/37/21/93/1408372193.db2.gz AWNQGGGGLZDGRX-UHFFFAOYSA-N 1 2 332.448 2.066 20 30 EEEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1N(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001756611461 1409138111 /nfs/dbraw/zinc/13/81/11/1409138111.db2.gz TVCXIULUSOYOFW-APWZRJJASA-N 1 2 344.459 2.338 20 30 EEEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1N(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001756611461 1409138117 /nfs/dbraw/zinc/13/81/17/1409138117.db2.gz TVCXIULUSOYOFW-APWZRJJASA-N 1 2 344.459 2.338 20 30 EEEDLO C=CCCC(=O)NC[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC001756715336 1409245676 /nfs/dbraw/zinc/24/56/76/1409245676.db2.gz YRSKJQGXQKQCAJ-GJZGRUSLSA-N 1 2 346.475 2.059 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001756944911 1409537184 /nfs/dbraw/zinc/53/71/84/1409537184.db2.gz NSGFWDQVXKQBFB-SJORKVTESA-N 1 2 346.475 2.230 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2CC3(C[NH+](CC#CC)C3)n3ccnc32)CC1 ZINC001101643221 1410712973 /nfs/dbraw/zinc/71/29/73/1410712973.db2.gz YMQSWHNFFHIREN-MRXNPFEDSA-N 1 2 338.455 2.225 20 30 EEEDLO COc1cc(CO[NH+]=C(N)Cc2cccnc2)c([N+](=O)[O-])cc1F ZINC000183976132 782359461 /nfs/dbraw/zinc/35/94/61/782359461.db2.gz QOEVRYKXHYXFGF-UHFFFAOYSA-N 1 2 334.307 2.169 20 30 EEEDLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)Nc1ncccc1C#N ZINC001098174518 782391930 /nfs/dbraw/zinc/39/19/30/782391930.db2.gz BRJCXTPMOJDBTI-AWEZNQCLSA-N 1 2 346.394 2.369 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H](C)C1 ZINC001112469853 756995580 /nfs/dbraw/zinc/99/55/80/756995580.db2.gz QPBFPOBKYSLYQT-GOEBONIOSA-N 1 2 344.459 2.339 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001111489996 759967164 /nfs/dbraw/zinc/96/71/64/759967164.db2.gz QGKRPZOTEMKNHO-YJNKXOJESA-N 1 2 335.473 2.264 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001111489996 759967173 /nfs/dbraw/zinc/96/71/73/759967173.db2.gz QGKRPZOTEMKNHO-YJNKXOJESA-N 1 2 335.473 2.264 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3csc4c3CCCC4)[C@H]2C1 ZINC001083268606 761490484 /nfs/dbraw/zinc/49/04/84/761490484.db2.gz KOQVEXIMDCOOFZ-DLBZAZTESA-N 1 2 344.480 2.175 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3csc4c3CCCC4)[C@H]2C1 ZINC001083268606 761490489 /nfs/dbraw/zinc/49/04/89/761490489.db2.gz KOQVEXIMDCOOFZ-DLBZAZTESA-N 1 2 344.480 2.175 20 30 EEEDLO C[C@H](CNc1ccc(C#N)cn1)N(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001104802218 765317399 /nfs/dbraw/zinc/31/73/99/765317399.db2.gz TWCCPQREISIROP-OCCSQVGLSA-N 1 2 338.415 2.055 20 30 EEEDLO C[C@H](CNc1ncc(C#N)cc1F)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001104833942 765386155 /nfs/dbraw/zinc/38/61/55/765386155.db2.gz MVPGTZGYVSFAGO-CHWSQXEVSA-N 1 2 344.394 2.199 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H](CC(C)C)NC(=O)Cn2cc[nH+]c2)n1 ZINC001104953070 765650297 /nfs/dbraw/zinc/65/02/97/765650297.db2.gz QZLFNFBKFLIRQW-INIZCTEOSA-N 1 2 340.431 2.101 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](CNc1ccc(C#N)nc1)CC(C)C ZINC001104960805 765681000 /nfs/dbraw/zinc/68/10/00/765681000.db2.gz OZKWCEUKSATDHB-MRXNPFEDSA-N 1 2 340.431 2.170 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H](C)C[C@H](C)NC(=O)CCn2cc[nH+]c2)n1 ZINC001089444447 769273149 /nfs/dbraw/zinc/27/31/49/769273149.db2.gz PTGNWDGSMQQDJO-GJZGRUSLSA-N 1 2 340.431 2.244 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)C(C)C ZINC001105231864 769400080 /nfs/dbraw/zinc/40/00/80/769400080.db2.gz CLGZVNRYCSTOBY-CQSZACIVSA-N 1 2 334.468 2.155 20 30 EEEDLO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+]Cc3ccsc3)nn2)C1 ZINC001105254300 769480550 /nfs/dbraw/zinc/48/05/50/769480550.db2.gz SVOVVOQJBZCCBU-UHFFFAOYSA-N 1 2 345.472 2.369 20 30 EEEDLO CC(C)[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)Nc1ccc(C#N)cn1 ZINC001105288672 769591119 /nfs/dbraw/zinc/59/11/19/769591119.db2.gz PKQOKTQSBNGMEO-GOEBONIOSA-N 1 2 340.431 2.354 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)c3ccc(F)nc3)C2)c1 ZINC001031582025 769840651 /nfs/dbraw/zinc/84/06/51/769840651.db2.gz ODZNWRIPEMIDRY-UHFFFAOYSA-N 1 2 342.349 2.093 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H]1CN(c2cc[nH+]c(C)n2)CCCO1 ZINC001089545617 770213177 /nfs/dbraw/zinc/21/31/77/770213177.db2.gz BRBFQRHXQLTRSY-HNNXBMFYSA-N 1 2 332.448 2.099 20 30 EEEDLO C#CCCCC(=O)NC1(CCOC)CCN(c2cc[nH+]c(C)n2)CC1 ZINC001089563944 770403063 /nfs/dbraw/zinc/40/30/63/770403063.db2.gz OLNAGEPBGFTPIJ-UHFFFAOYSA-N 1 2 344.459 2.080 20 30 EEEDLO Cc1nc(C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)co1 ZINC001031627332 770438919 /nfs/dbraw/zinc/43/89/19/770438919.db2.gz IURFIADMFFWHRM-UHFFFAOYSA-N 1 2 343.814 2.350 20 30 EEEDLO CC[C@@H]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)O1 ZINC001031709651 773540725 /nfs/dbraw/zinc/54/07/25/773540725.db2.gz WUQKOUXTRXUJKU-SJLPKXTDSA-N 1 2 345.418 2.203 20 30 EEEDLO CSc1ccc(C[NH+]2CCN(c3nccnc3C#N)CC2)s1 ZINC001142027910 783156575 /nfs/dbraw/zinc/15/65/75/783156575.db2.gz UMHVTBPAZQTKQZ-UHFFFAOYSA-N 1 2 331.470 2.454 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2[nH]cnc2CC)C1 ZINC000980282931 774255781 /nfs/dbraw/zinc/25/57/81/774255781.db2.gz PKPWWBRTZHSNQZ-LLVKDONJSA-N 1 2 341.253 2.027 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2[nH]cnc2CC)C1 ZINC000980282931 774255783 /nfs/dbraw/zinc/25/57/83/774255783.db2.gz PKPWWBRTZHSNQZ-LLVKDONJSA-N 1 2 341.253 2.027 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc2c1oc(=O)n2C ZINC001027930548 774579452 /nfs/dbraw/zinc/57/94/52/774579452.db2.gz RIEZPLDTYHXXKO-GFCCVEGCSA-N 1 2 349.818 2.078 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc2c1oc(=O)n2C ZINC001027930548 774579456 /nfs/dbraw/zinc/57/94/56/774579456.db2.gz RIEZPLDTYHXXKO-GFCCVEGCSA-N 1 2 349.818 2.078 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC000980446393 774618623 /nfs/dbraw/zinc/61/86/23/774618623.db2.gz RZMCLGWOONCJOC-SFHVURJKSA-N 1 2 340.402 2.301 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC000980446393 774618626 /nfs/dbraw/zinc/61/86/26/774618626.db2.gz RZMCLGWOONCJOC-SFHVURJKSA-N 1 2 340.402 2.301 20 30 EEEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cn(CC)nn1 ZINC001089718068 774679261 /nfs/dbraw/zinc/67/92/61/774679261.db2.gz JUYXHZIBHMBETE-CYBMUJFWSA-N 1 2 339.871 2.271 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cn(CC)nn1 ZINC001089718068 774679264 /nfs/dbraw/zinc/67/92/64/774679264.db2.gz JUYXHZIBHMBETE-CYBMUJFWSA-N 1 2 339.871 2.271 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(CC)c1[nH+]cnc2c1cnn2C ZINC001089740817 774869720 /nfs/dbraw/zinc/86/97/20/774869720.db2.gz GAOVSDGKTBICNM-FZKQIMNGSA-N 1 2 344.463 2.297 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001031752297 774979119 /nfs/dbraw/zinc/97/91/19/774979119.db2.gz VQLFQWXJFDOBIF-UHFFFAOYSA-N 1 2 345.406 2.248 20 30 EEEDLO Cc1noc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)c1C ZINC001031756628 775042595 /nfs/dbraw/zinc/04/25/95/775042595.db2.gz NBZVODSPBNCACL-UHFFFAOYSA-N 1 2 341.386 2.144 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC001027968935 775391572 /nfs/dbraw/zinc/39/15/72/775391572.db2.gz BRJPCFKLWCCVMJ-HUUCEWRRSA-N 1 2 336.867 2.087 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC001027968935 775391579 /nfs/dbraw/zinc/39/15/79/775391579.db2.gz BRJPCFKLWCCVMJ-HUUCEWRRSA-N 1 2 336.867 2.087 20 30 EEEDLO CO[C@@H]1CC[C@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001031792301 775731999 /nfs/dbraw/zinc/73/19/99/775731999.db2.gz QLKNUHFYEQZDPR-DOTOQJQBSA-N 1 2 345.418 2.060 20 30 EEEDLO C=CCn1cccc1C(=O)NC1C[NH+](Cc2ccc(COC)cc2)C1 ZINC001030446397 790391427 /nfs/dbraw/zinc/39/14/27/790391427.db2.gz FPXUGGIWNBJLHZ-UHFFFAOYSA-N 1 2 339.439 2.435 20 30 EEEDLO CCn1cc(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)cn1 ZINC000980862495 775857304 /nfs/dbraw/zinc/85/73/04/775857304.db2.gz LIGXIQGGYOBFQS-UHFFFAOYSA-N 1 2 336.439 2.103 20 30 EEEDLO CCn1cc(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)cn1 ZINC000980862495 775857317 /nfs/dbraw/zinc/85/73/17/775857317.db2.gz LIGXIQGGYOBFQS-UHFFFAOYSA-N 1 2 336.439 2.103 20 30 EEEDLO O=C([C@H]1CCCCO1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000980981904 776253760 /nfs/dbraw/zinc/25/37/60/776253760.db2.gz NAUYZRIBJSCIPB-LJQANCHMSA-N 1 2 326.440 2.142 20 30 EEEDLO O=C([C@H]1CCCCO1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000980981904 776253763 /nfs/dbraw/zinc/25/37/63/776253763.db2.gz NAUYZRIBJSCIPB-LJQANCHMSA-N 1 2 326.440 2.142 20 30 EEEDLO Cc1nc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)co1 ZINC000981033938 776373986 /nfs/dbraw/zinc/37/39/86/776373986.db2.gz SETKOBRARJCJAB-UHFFFAOYSA-N 1 2 330.413 2.264 20 30 EEEDLO Cc1nc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)co1 ZINC000981033938 776373995 /nfs/dbraw/zinc/37/39/95/776373995.db2.gz SETKOBRARJCJAB-UHFFFAOYSA-N 1 2 330.413 2.264 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnoc1-c1cnn(C)c1 ZINC001028047062 776767100 /nfs/dbraw/zinc/76/71/00/776767100.db2.gz PERDAHTVGFXGMM-ZDUSSCGKSA-N 1 2 349.822 2.022 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnoc1-c1cnn(C)c1 ZINC001028047062 776767109 /nfs/dbraw/zinc/76/71/09/776767109.db2.gz PERDAHTVGFXGMM-ZDUSSCGKSA-N 1 2 349.822 2.022 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)[C@H]2CCCN(c3cc[nH+]c(C)n3)C2)nc1 ZINC001060360329 790482166 /nfs/dbraw/zinc/48/21/66/790482166.db2.gz BIZRGYUJPUUVEU-PBHICJAKSA-N 1 2 349.438 2.196 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)c2nc(C)no2)cc1 ZINC001028066690 776963042 /nfs/dbraw/zinc/96/30/42/776963042.db2.gz GPHLMAFXFWNFDL-CXAGYDPISA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)c2nc(C)no2)cc1 ZINC001028066690 776963044 /nfs/dbraw/zinc/96/30/44/776963044.db2.gz GPHLMAFXFWNFDL-CXAGYDPISA-N 1 2 338.411 2.315 20 30 EEEDLO Cc1ncn(C)c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000981387428 777282369 /nfs/dbraw/zinc/28/23/69/777282369.db2.gz LDONZZNECKTDNK-UHFFFAOYSA-N 1 2 343.456 2.010 20 30 EEEDLO Cc1ncn(C)c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000981387428 777282376 /nfs/dbraw/zinc/28/23/76/777282376.db2.gz LDONZZNECKTDNK-UHFFFAOYSA-N 1 2 343.456 2.010 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2cncn2)c1 ZINC001028128908 778279281 /nfs/dbraw/zinc/27/92/81/778279281.db2.gz KTLQFGGNWCFUHD-INIZCTEOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2cncn2)c1 ZINC001028128908 778279285 /nfs/dbraw/zinc/27/92/85/778279285.db2.gz KTLQFGGNWCFUHD-INIZCTEOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ncc(C)s1 ZINC001028145816 778426233 /nfs/dbraw/zinc/42/62/33/778426233.db2.gz XFXMYMYOVXKYFV-KFWWJZLASA-N 1 2 335.473 2.123 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ncc(C)s1 ZINC001028145816 778426235 /nfs/dbraw/zinc/42/62/35/778426235.db2.gz XFXMYMYOVXKYFV-KFWWJZLASA-N 1 2 335.473 2.123 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1)C(C)C ZINC000981877364 778464883 /nfs/dbraw/zinc/46/48/83/778464883.db2.gz DBLLBRPHBBBUDW-GOSISDBHSA-N 1 2 347.434 2.403 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1)C(C)C ZINC000981877364 778464888 /nfs/dbraw/zinc/46/48/88/778464888.db2.gz DBLLBRPHBBBUDW-GOSISDBHSA-N 1 2 347.434 2.403 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1nn(C)c2c1CCCC2 ZINC001028151731 778521458 /nfs/dbraw/zinc/52/14/58/778521458.db2.gz HIRWMXBVLQZOSP-ZDUSSCGKSA-N 1 2 336.867 2.246 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1nn(C)c2c1CCCC2 ZINC001028151731 778521460 /nfs/dbraw/zinc/52/14/60/778521460.db2.gz HIRWMXBVLQZOSP-ZDUSSCGKSA-N 1 2 336.867 2.246 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCC[N@H+](Cc1nnc(C)o1)C2 ZINC000981927912 778567642 /nfs/dbraw/zinc/56/76/42/778567642.db2.gz TUJWHBFETXRKBT-UHFFFAOYSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCC[N@@H+](Cc1nnc(C)o1)C2 ZINC000981927912 778567646 /nfs/dbraw/zinc/56/76/46/778567646.db2.gz TUJWHBFETXRKBT-UHFFFAOYSA-N 1 2 332.448 2.405 20 30 EEEDLO COc1ccc(N2CC[NH+](Cc3ccc(C#N)cn3)CC2)cc1F ZINC000846815132 790640399 /nfs/dbraw/zinc/64/03/99/790640399.db2.gz XUPVGJUBXKBGLW-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ncc(CC)o1 ZINC001028197853 778855402 /nfs/dbraw/zinc/85/54/02/778855402.db2.gz SPWBXUXQNPIYDZ-HFTRVMKXSA-N 1 2 347.459 2.299 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ncc(CC)o1 ZINC001028197853 778855406 /nfs/dbraw/zinc/85/54/06/778855406.db2.gz SPWBXUXQNPIYDZ-HFTRVMKXSA-N 1 2 347.459 2.299 20 30 EEEDLO CC1(C(=O)N2CCC[N@H+](Cc3ccccc3C#N)CC2)CCOCC1 ZINC000982221550 779311490 /nfs/dbraw/zinc/31/14/90/779311490.db2.gz CMUHWTZTRSDFBP-UHFFFAOYSA-N 1 2 341.455 2.409 20 30 EEEDLO CC1(C(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)CCOCC1 ZINC000982221550 779311493 /nfs/dbraw/zinc/31/14/93/779311493.db2.gz CMUHWTZTRSDFBP-UHFFFAOYSA-N 1 2 341.455 2.409 20 30 EEEDLO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@H+](Cc3coc(C4CC4)n3)C[C@]2(C)C1 ZINC000982237010 779363497 /nfs/dbraw/zinc/36/34/97/779363497.db2.gz SKZKSCJYYZSFTB-ZNOIYHFQSA-N 1 2 342.443 2.382 20 30 EEEDLO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](Cc3coc(C4CC4)n3)C[C@]2(C)C1 ZINC000982237010 779363504 /nfs/dbraw/zinc/36/35/04/779363504.db2.gz SKZKSCJYYZSFTB-ZNOIYHFQSA-N 1 2 342.443 2.382 20 30 EEEDLO C=C1CCC(C(=O)N2CCCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC000940891040 779469640 /nfs/dbraw/zinc/46/96/40/779469640.db2.gz NFSMLWZWVMQYPR-UHFFFAOYSA-N 1 2 344.459 2.150 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2csc(C)n2)cn1 ZINC001028270514 779835596 /nfs/dbraw/zinc/83/55/96/779835596.db2.gz LWAGXDVKZGYIFE-QGZVFWFLSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2csc(C)n2)cn1 ZINC001028270514 779835603 /nfs/dbraw/zinc/83/56/03/779835603.db2.gz LWAGXDVKZGYIFE-QGZVFWFLSA-N 1 2 340.452 2.222 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@@H](F)C3)C2)c1 ZINC001031930485 779986802 /nfs/dbraw/zinc/98/68/02/779986802.db2.gz XNFKZQRHPBBIRD-GDBMZVCRSA-N 1 2 333.382 2.384 20 30 EEEDLO C=CCOCC(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091433711 790760003 /nfs/dbraw/zinc/76/00/03/790760003.db2.gz QALREKPRMTWGKK-CTYIDZIISA-N 1 2 330.432 2.172 20 30 EEEDLO Cc1ccnc(N)c1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000893961943 780330302 /nfs/dbraw/zinc/33/03/02/780330302.db2.gz KFZCRJNWZCWTQL-UHFFFAOYSA-N 1 2 325.391 2.305 20 30 EEEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)C=C(C)C ZINC001211808086 780901249 /nfs/dbraw/zinc/90/12/49/780901249.db2.gz POCVQQCAGGMIPT-QZTJIDSGSA-N 1 2 346.858 2.473 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)C=C(C)C ZINC001211808086 780901254 /nfs/dbraw/zinc/90/12/54/780901254.db2.gz POCVQQCAGGMIPT-QZTJIDSGSA-N 1 2 346.858 2.473 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1(CCF)CC1 ZINC001213206962 781299573 /nfs/dbraw/zinc/29/95/73/781299573.db2.gz JUHSUNIMLAAEAQ-IAGOWNOFSA-N 1 2 345.418 2.013 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1(CCF)CC1 ZINC001213206962 781299581 /nfs/dbraw/zinc/29/95/81/781299581.db2.gz JUHSUNIMLAAEAQ-IAGOWNOFSA-N 1 2 345.418 2.013 20 30 EEEDLO Cc1cc(NC2(CNC(=O)c3cc(C#N)c[nH]3)CC2)nc(C(C)C)[nH+]1 ZINC001110117537 790883343 /nfs/dbraw/zinc/88/33/43/790883343.db2.gz ZRGREOYWFRQSTI-UHFFFAOYSA-N 1 2 338.415 2.483 20 30 EEEDLO C=CCOc1ccc(C(=O)NC2C[NH+](C[C@H]3CC(C)(C)CO3)C2)cc1 ZINC001030541233 790899536 /nfs/dbraw/zinc/89/95/36/790899536.db2.gz IJNGTAGYYHPRKK-GOSISDBHSA-N 1 2 344.455 2.481 20 30 EEEDLO CC(C)Cc1noc(C[NH2+][C@@H]2CCCCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001088281282 783351813 /nfs/dbraw/zinc/35/18/13/783351813.db2.gz KIYPDZKDUZRGDZ-LSDHHAIUSA-N 1 2 347.463 2.289 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001108102394 783439851 /nfs/dbraw/zinc/43/98/51/783439851.db2.gz ABLIAGDHPJWGOR-LJQANCHMSA-N 1 2 327.428 2.483 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001108102394 783439861 /nfs/dbraw/zinc/43/98/61/783439861.db2.gz ABLIAGDHPJWGOR-LJQANCHMSA-N 1 2 327.428 2.483 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001131895718 783453161 /nfs/dbraw/zinc/45/31/61/783453161.db2.gz LKALPIPARFFITL-KBPBESRZSA-N 1 2 334.416 2.084 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001131895718 783453162 /nfs/dbraw/zinc/45/31/62/783453162.db2.gz LKALPIPARFFITL-KBPBESRZSA-N 1 2 334.416 2.084 20 30 EEEDLO Cc1nc([C@@H](C)[NH2+][C@@H]2CCCCCN(C(=O)C#CC3CC3)C2)no1 ZINC001088310815 783463492 /nfs/dbraw/zinc/46/34/92/783463492.db2.gz FOWNJYIEYTVGCV-CZUORRHYSA-N 1 2 330.432 2.213 20 30 EEEDLO O=C(C#CC1CC1)N1CCCCC[C@@H]([NH2+]Cc2noc(C3CC3)n2)C1 ZINC001088311902 783467514 /nfs/dbraw/zinc/46/75/14/783467514.db2.gz JZMUPOFBYKBSTA-MRXNPFEDSA-N 1 2 342.443 2.221 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2coc(C)n2)C1 ZINC001131938385 783494184 /nfs/dbraw/zinc/49/41/84/783494184.db2.gz GJJQPEPHPJTZTC-HOCLYGCPSA-N 1 2 335.448 2.435 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2coc(C)n2)C1 ZINC001131938385 783494191 /nfs/dbraw/zinc/49/41/91/783494191.db2.gz GJJQPEPHPJTZTC-HOCLYGCPSA-N 1 2 335.448 2.435 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001131946265 783508544 /nfs/dbraw/zinc/50/85/44/783508544.db2.gz IHTLKEGOZWXINY-GJZGRUSLSA-N 1 2 347.459 2.225 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2noc3c2CCCC3)C1 ZINC001131946265 783508550 /nfs/dbraw/zinc/50/85/50/783508550.db2.gz IHTLKEGOZWXINY-GJZGRUSLSA-N 1 2 347.459 2.225 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001033313862 783514828 /nfs/dbraw/zinc/51/48/28/783514828.db2.gz XFSDAXOLZRTPJE-HIFRSBDPSA-N 1 2 347.846 2.398 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001033313862 783514832 /nfs/dbraw/zinc/51/48/32/783514832.db2.gz XFSDAXOLZRTPJE-HIFRSBDPSA-N 1 2 347.846 2.398 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001131976065 783539286 /nfs/dbraw/zinc/53/92/86/783539286.db2.gz HENRSCKYUPTBTE-IAGOWNOFSA-N 1 2 342.487 2.492 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001131976065 783539290 /nfs/dbraw/zinc/53/92/90/783539290.db2.gz HENRSCKYUPTBTE-IAGOWNOFSA-N 1 2 342.487 2.492 20 30 EEEDLO C=CCCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nsc(N(C)C)n1 ZINC001135357991 783649223 /nfs/dbraw/zinc/64/92/23/783649223.db2.gz KTTBYGIMEWWDDI-OLZOCXBDSA-N 1 2 339.509 2.333 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NC[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091500726 790990293 /nfs/dbraw/zinc/99/02/93/790990293.db2.gz FEIDEVVCOPMIJJ-IIDMSEBBSA-N 1 2 332.448 2.321 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC001035366942 784380133 /nfs/dbraw/zinc/38/01/33/784380133.db2.gz BLJIAGWQHFVWBS-OTWHNJEPSA-N 1 2 344.455 2.300 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC001035366942 784380142 /nfs/dbraw/zinc/38/01/42/784380142.db2.gz BLJIAGWQHFVWBS-OTWHNJEPSA-N 1 2 344.455 2.300 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(F)cc3ccncc32)C1 ZINC001035367038 784380753 /nfs/dbraw/zinc/38/07/53/784380753.db2.gz CACJJBOAMUSOAK-MRXNPFEDSA-N 1 2 343.402 2.381 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(F)cc3ccncc32)C1 ZINC001035367038 784380764 /nfs/dbraw/zinc/38/07/64/784380764.db2.gz CACJJBOAMUSOAK-MRXNPFEDSA-N 1 2 343.402 2.381 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)cc3ccoc32)C1 ZINC001035418290 784497630 /nfs/dbraw/zinc/49/76/30/784497630.db2.gz GBZGFGZNZCEYPI-HNNXBMFYSA-N 1 2 330.359 2.026 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(F)cc3ccoc32)C1 ZINC001035418290 784497634 /nfs/dbraw/zinc/49/76/34/784497634.db2.gz GBZGFGZNZCEYPI-HNNXBMFYSA-N 1 2 330.359 2.026 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2c(C)occ2C(F)(F)F)C1 ZINC001035451302 784549777 /nfs/dbraw/zinc/54/97/77/784549777.db2.gz FPOCBTGIBMSPBJ-GFCCVEGCSA-N 1 2 344.333 2.061 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2c(C)occ2C(F)(F)F)C1 ZINC001035451302 784549784 /nfs/dbraw/zinc/54/97/84/784549784.db2.gz FPOCBTGIBMSPBJ-GFCCVEGCSA-N 1 2 344.333 2.061 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)occ2C(F)(F)F)C1 ZINC001035451304 784550006 /nfs/dbraw/zinc/55/00/06/784550006.db2.gz FPOCBTGIBMSPBJ-LBPRGKRZSA-N 1 2 344.333 2.061 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2c(C)occ2C(F)(F)F)C1 ZINC001035451304 784550013 /nfs/dbraw/zinc/55/00/13/784550013.db2.gz FPOCBTGIBMSPBJ-LBPRGKRZSA-N 1 2 344.333 2.061 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc3c2ccn3C)C1 ZINC001035550162 784720050 /nfs/dbraw/zinc/72/00/50/784720050.db2.gz LLMABLPAKDJNOR-HNNXBMFYSA-N 1 2 327.428 2.185 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccc3c2ccn3C)C1 ZINC001035550162 784720053 /nfs/dbraw/zinc/72/00/53/784720053.db2.gz LLMABLPAKDJNOR-HNNXBMFYSA-N 1 2 327.428 2.185 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-c3ccccc3)nc2)C1 ZINC001035556102 784726305 /nfs/dbraw/zinc/72/63/05/784726305.db2.gz ONBFJVDFCCTFEW-LJQANCHMSA-N 1 2 349.434 2.203 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccc(-c3ccccc3)nc2)C1 ZINC001035556102 784726314 /nfs/dbraw/zinc/72/63/14/784726314.db2.gz ONBFJVDFCCTFEW-LJQANCHMSA-N 1 2 349.434 2.203 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001035595848 784750486 /nfs/dbraw/zinc/75/04/86/784750486.db2.gz LRTAXUYHEWDMLU-NVXWUHKLSA-N 1 2 334.847 2.373 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001035595848 784750491 /nfs/dbraw/zinc/75/04/91/784750491.db2.gz LRTAXUYHEWDMLU-NVXWUHKLSA-N 1 2 334.847 2.373 20 30 EEEDLO Cc1csc(C[NH+]2CC3(C2)CCN(C(=O)C#CC2CC2)CC3)n1 ZINC001035702300 784981855 /nfs/dbraw/zinc/98/18/55/784981855.db2.gz PVERLCPALCHKNN-UHFFFAOYSA-N 1 2 329.469 2.289 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCO[C@H]1CC)CC2 ZINC001035754175 785062205 /nfs/dbraw/zinc/06/22/05/785062205.db2.gz PIVIWBZCWZCOHL-CABCVRRESA-N 1 2 326.868 2.478 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC2(C[NH+](Cc3ccn(C)n3)C2)CC1 ZINC001035782123 785117097 /nfs/dbraw/zinc/11/70/97/785117097.db2.gz HWVIJODAXXMVAC-GOSISDBHSA-N 1 2 330.476 2.447 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)Cc1c(C)n[nH]c1C)CC2 ZINC001035847588 785222852 /nfs/dbraw/zinc/22/28/52/785222852.db2.gz FPAALRAGVIOMCP-UHFFFAOYSA-N 1 2 336.867 2.246 20 30 EEEDLO N#Cc1cccc(CC(=O)Nc2ccc(C(N)=O)cc2-n2cc[nH+]c2)c1 ZINC001129217331 785584872 /nfs/dbraw/zinc/58/48/72/785584872.db2.gz WZLMJCUICSQLPG-UHFFFAOYSA-N 1 2 345.362 2.024 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(OC)cc2F)C1 ZINC001015929700 785848547 /nfs/dbraw/zinc/84/85/47/785848547.db2.gz ALXZZIQECLYDOA-ZDUSSCGKSA-N 1 2 326.799 2.320 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(OC)cc2F)C1 ZINC001015929700 785848553 /nfs/dbraw/zinc/84/85/53/785848553.db2.gz ALXZZIQECLYDOA-ZDUSSCGKSA-N 1 2 326.799 2.320 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](F)CC)C[C@@H]2n2ccnn2)CC1 ZINC001129238628 786097929 /nfs/dbraw/zinc/09/79/29/786097929.db2.gz FADQKLRRQLUVOB-OAGGEKHMSA-N 1 2 349.454 2.114 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](C[C@H](F)CC)C[C@@H]2n2ccnn2)CC1 ZINC001129238628 786097932 /nfs/dbraw/zinc/09/79/32/786097932.db2.gz FADQKLRRQLUVOB-OAGGEKHMSA-N 1 2 349.454 2.114 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C3(C4CCC4)CCC3)nn2)C1 ZINC001107190030 786294073 /nfs/dbraw/zinc/29/40/73/786294073.db2.gz LZOVMEORAPSZGV-UHFFFAOYSA-N 1 2 343.475 2.298 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(Cl)c2)[C@H](O)C1 ZINC001090538287 786791287 /nfs/dbraw/zinc/79/12/87/786791287.db2.gz GSNZVEIRGJHQGB-LSDHHAIUSA-N 1 2 343.254 2.186 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cccc(Cl)c2)[C@H](O)C1 ZINC001090538287 786791297 /nfs/dbraw/zinc/79/12/97/786791297.db2.gz GSNZVEIRGJHQGB-LSDHHAIUSA-N 1 2 343.254 2.186 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(OCC)c2)[C@@H](O)C1 ZINC001090601243 787208432 /nfs/dbraw/zinc/20/84/32/787208432.db2.gz PIKQVUFHATUGAE-HOTGVXAUSA-N 1 2 338.835 2.003 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(OCC)c2)[C@@H](O)C1 ZINC001090601243 787208439 /nfs/dbraw/zinc/20/84/39/787208439.db2.gz PIKQVUFHATUGAE-HOTGVXAUSA-N 1 2 338.835 2.003 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC/C=C/CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107462476 787310915 /nfs/dbraw/zinc/31/09/15/787310915.db2.gz QTEIUVIFNHMWFX-LLYBFZRZSA-N 1 2 343.475 2.151 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC/C=C/CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107462476 787310926 /nfs/dbraw/zinc/31/09/26/787310926.db2.gz QTEIUVIFNHMWFX-LLYBFZRZSA-N 1 2 343.475 2.151 20 30 EEEDLO C#CCOc1ccc(C(=O)NC/C=C\CNc2cc[nH+]c(C)n2)cc1 ZINC001107537190 787543203 /nfs/dbraw/zinc/54/32/03/787543203.db2.gz ABNUMXHCXDBLII-PLNGDYQASA-N 1 2 336.395 2.195 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001060769647 787657435 /nfs/dbraw/zinc/65/74/35/787657435.db2.gz UJTFXGPZBGECDC-WKILWMFISA-N 1 2 346.475 2.408 20 30 EEEDLO C[C@@H](CC(=O)N(C)CCCNc1ncccc1C#N)n1cc[nH+]c1 ZINC001109637234 805813972 /nfs/dbraw/zinc/81/39/72/805813972.db2.gz MATLRPXWIPTOIF-AWEZNQCLSA-N 1 2 326.404 2.061 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001062316024 787877503 /nfs/dbraw/zinc/87/75/03/787877503.db2.gz LYMOPEQFGFFULO-DLBZAZTESA-N 1 2 346.475 2.373 20 30 EEEDLO Cc1nc(N2C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C2)c(C)c(C)[nH+]1 ZINC001090704721 787885633 /nfs/dbraw/zinc/88/56/33/787885633.db2.gz ARDSNVYQCSOPBJ-MLGOLLRUSA-N 1 2 328.460 2.392 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)c(CC)o2)[C@@H](O)C1 ZINC001090722396 787911924 /nfs/dbraw/zinc/91/19/24/787911924.db2.gz LAMFGYQEGMFKAX-STQMWFEESA-N 1 2 326.824 2.068 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(CC)o2)[C@@H](O)C1 ZINC001090722396 787911928 /nfs/dbraw/zinc/91/19/28/787911928.db2.gz LAMFGYQEGMFKAX-STQMWFEESA-N 1 2 326.824 2.068 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H](N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001079010811 788004968 /nfs/dbraw/zinc/00/49/68/788004968.db2.gz HSHFEPVJWAJBTL-QGZVFWFLSA-N 1 2 346.475 2.469 20 30 EEEDLO O=C(C#Cc1cccs1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000823991278 788010781 /nfs/dbraw/zinc/01/07/81/788010781.db2.gz VHCFQPZIGFSBGL-KRWDZBQOSA-N 1 2 340.448 2.117 20 30 EEEDLO O=C(C#Cc1cccs1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000823991278 788010792 /nfs/dbraw/zinc/01/07/92/788010792.db2.gz VHCFQPZIGFSBGL-KRWDZBQOSA-N 1 2 340.448 2.117 20 30 EEEDLO CC[C@@H](C)C(=O)NC[C@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107751685 788232401 /nfs/dbraw/zinc/23/24/01/788232401.db2.gz HYETXXKPWNULFY-DNVCBOLYSA-N 1 2 329.444 2.311 20 30 EEEDLO CC[C@@H](C)C(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107751685 788232406 /nfs/dbraw/zinc/23/24/06/788232406.db2.gz HYETXXKPWNULFY-DNVCBOLYSA-N 1 2 329.444 2.311 20 30 EEEDLO COC(=O)C1(C#N)CC[NH+](Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000824867049 788327331 /nfs/dbraw/zinc/32/73/31/788327331.db2.gz LGJIFECZCVHHSW-UHFFFAOYSA-N 1 2 328.372 2.257 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001079021901 788384034 /nfs/dbraw/zinc/38/40/34/788384034.db2.gz UTCXHXQIPOLPKW-MRXNPFEDSA-N 1 2 346.475 2.394 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001079021901 788384040 /nfs/dbraw/zinc/38/40/40/788384040.db2.gz UTCXHXQIPOLPKW-MRXNPFEDSA-N 1 2 346.475 2.394 20 30 EEEDLO C/C=C(\C)C(=O)NC[C@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107853562 788787439 /nfs/dbraw/zinc/78/74/39/788787439.db2.gz RCFWABYICHVEFF-YZGOOUTISA-N 1 2 327.428 2.232 20 30 EEEDLO C/C=C(\C)C(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107853562 788787446 /nfs/dbraw/zinc/78/74/46/788787446.db2.gz RCFWABYICHVEFF-YZGOOUTISA-N 1 2 327.428 2.232 20 30 EEEDLO N#Cc1cncc(C[N@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)c1 ZINC001144075604 789210590 /nfs/dbraw/zinc/21/05/90/789210590.db2.gz QXWGLUFJEOUZLQ-SFHVURJKSA-N 1 2 337.427 2.208 20 30 EEEDLO N#Cc1cncc(C[N@@H+]2Cc3cncn3C[C@@H](COCC3CC3)C2)c1 ZINC001144075604 789210594 /nfs/dbraw/zinc/21/05/94/789210594.db2.gz QXWGLUFJEOUZLQ-SFHVURJKSA-N 1 2 337.427 2.208 20 30 EEEDLO COC(=O)[C@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)c1cccc(C#N)c1 ZINC000845283754 789710998 /nfs/dbraw/zinc/71/09/98/789710998.db2.gz ZIYFHSZYYNKDSA-MLGOLLRUSA-N 1 2 327.340 2.163 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001060293239 789713303 /nfs/dbraw/zinc/71/33/03/789713303.db2.gz HWQBHXQCWCEYPO-AWEZNQCLSA-N 1 2 346.479 2.251 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C2(c3cccc(Cl)c3)CC(=O)C2)C1 ZINC000923559934 789770442 /nfs/dbraw/zinc/77/04/42/789770442.db2.gz VVUVLSFCOUJRAZ-MRXNPFEDSA-N 1 2 344.842 2.155 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C2(c3cccc(Cl)c3)CC(=O)C2)C1 ZINC000923559934 789770446 /nfs/dbraw/zinc/77/04/46/789770446.db2.gz VVUVLSFCOUJRAZ-MRXNPFEDSA-N 1 2 344.842 2.155 20 30 EEEDLO COc1ccccc1NC(=O)[C@H](C#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845443566 789780268 /nfs/dbraw/zinc/78/02/68/789780268.db2.gz ZGLZBVHNTDBLCX-CHWSQXEVSA-N 1 2 326.356 2.190 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3sc(N(C)C)nc3s2)C1 ZINC000923584427 789813398 /nfs/dbraw/zinc/81/33/98/789813398.db2.gz WEJIJBXTGNLQON-LLVKDONJSA-N 1 2 348.497 2.251 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3sc(N(C)C)nc3s2)C1 ZINC000923584427 789813404 /nfs/dbraw/zinc/81/34/04/789813404.db2.gz WEJIJBXTGNLQON-LLVKDONJSA-N 1 2 348.497 2.251 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079045154 789989261 /nfs/dbraw/zinc/98/92/61/789989261.db2.gz AGZDZDLZABZMAY-HNNXBMFYSA-N 1 2 332.448 2.148 20 30 EEEDLO CCCc1n[nH]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032491018 790142886 /nfs/dbraw/zinc/14/28/86/790142886.db2.gz HIMFLMWUGAXTHA-IRXDYDNUSA-N 1 2 349.438 2.333 20 30 EEEDLO CCCc1n[nH]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032491018 790142888 /nfs/dbraw/zinc/14/28/88/790142888.db2.gz HIMFLMWUGAXTHA-IRXDYDNUSA-N 1 2 349.438 2.333 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nn(C)c3c2CCCC3)[C@H]1C ZINC001088872411 791248658 /nfs/dbraw/zinc/24/86/58/791248658.db2.gz RQWKVABIZKAVDE-OCCSQVGLSA-N 1 2 336.867 2.244 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nn(C)c3c2CCCC3)[C@H]1C ZINC001088872411 791248666 /nfs/dbraw/zinc/24/86/66/791248666.db2.gz RQWKVABIZKAVDE-OCCSQVGLSA-N 1 2 336.867 2.244 20 30 EEEDLO Cc1nc(N2CCC3(C2)CCN(C(=O)[C@@H](C)C#N)CC3)c(C)c(C)[nH+]1 ZINC001063593929 791351405 /nfs/dbraw/zinc/35/14/05/791351405.db2.gz PHLRVGOGWFCMOF-ZDUSSCGKSA-N 1 2 341.459 2.380 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](CC)CC(C)C)C2)nn1 ZINC001098766701 791654498 /nfs/dbraw/zinc/65/44/98/791654498.db2.gz FSILFBNMDYOVGF-AEFFLSMTSA-N 1 2 345.491 2.237 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H](Nc3cc[nH+]c(C)n3)[C@H](C)C2)nc1 ZINC001063751909 791661478 /nfs/dbraw/zinc/66/14/78/791661478.db2.gz FBWDOBMYLNDZJE-CJNGLKHVSA-N 1 2 335.411 2.124 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)[C@@H](C)C2)cn1 ZINC001063755314 791667666 /nfs/dbraw/zinc/66/76/66/791667666.db2.gz PBJZHLHSMGXOCG-SUMWQHHRSA-N 1 2 335.411 2.124 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)[C@H]1C ZINC001088956959 791733514 /nfs/dbraw/zinc/73/35/14/791733514.db2.gz BBWVPXDGEBPMDL-HIFRSBDPSA-N 1 2 345.834 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)[C@H]1C ZINC001088956959 791733518 /nfs/dbraw/zinc/73/35/18/791733518.db2.gz BBWVPXDGEBPMDL-HIFRSBDPSA-N 1 2 345.834 2.212 20 30 EEEDLO COC(C)(C)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000172948076 791797488 /nfs/dbraw/zinc/79/74/88/791797488.db2.gz OHNGHXQMPITNFV-UHFFFAOYSA-N 1 2 328.416 2.071 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nonc1C)C2 ZINC001147631056 791890833 /nfs/dbraw/zinc/89/08/33/791890833.db2.gz LAGNAUWDMKTMOM-UHFFFAOYSA-N 1 2 330.432 2.181 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC2(C1)CC[N@H+](Cc1nonc1C)C2 ZINC001147631056 791890837 /nfs/dbraw/zinc/89/08/37/791890837.db2.gz LAGNAUWDMKTMOM-UHFFFAOYSA-N 1 2 330.432 2.181 20 30 EEEDLO C#CCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2nnc(C)s2)C3)CCC1 ZINC001147711250 791921006 /nfs/dbraw/zinc/92/10/06/791921006.db2.gz KNVMAGITPBKKAI-UHFFFAOYSA-N 1 2 344.484 2.074 20 30 EEEDLO C#CCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2nnc(C)s2)C3)CCC1 ZINC001147711250 791921010 /nfs/dbraw/zinc/92/10/10/791921010.db2.gz KNVMAGITPBKKAI-UHFFFAOYSA-N 1 2 344.484 2.074 20 30 EEEDLO Cc1nc(N(C)CCC2CCN(C(=O)C#CC3CC3)CC2)cc[nH+]1 ZINC001063967593 792028694 /nfs/dbraw/zinc/02/86/94/792028694.db2.gz CPOIKVCLQFJRGQ-UHFFFAOYSA-N 1 2 326.444 2.263 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C(N)=O)c1 ZINC001032606265 792164823 /nfs/dbraw/zinc/16/48/23/792164823.db2.gz QTZUJHZAOBTLLL-ABSDTBQOSA-N 1 2 341.455 2.173 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C(N)=O)c1 ZINC001032606265 792164824 /nfs/dbraw/zinc/16/48/24/792164824.db2.gz QTZUJHZAOBTLLL-ABSDTBQOSA-N 1 2 341.455 2.173 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1ncnn1C(C)C)C2 ZINC001148129762 792204025 /nfs/dbraw/zinc/20/40/25/792204025.db2.gz IOVMWBFEIKVPJK-MRXNPFEDSA-N 1 2 345.491 2.496 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ncnn1C(C)C)C2 ZINC001148129762 792204028 /nfs/dbraw/zinc/20/40/28/792204028.db2.gz IOVMWBFEIKVPJK-MRXNPFEDSA-N 1 2 345.491 2.496 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2CNc2cc[nH+]c(C)n2)cn1 ZINC001064106167 792414146 /nfs/dbraw/zinc/41/41/46/792414146.db2.gz PSXQLYIQUSFSJR-WMLDXEAASA-N 1 2 335.411 2.172 20 30 EEEDLO C#CC[NH2+][C@H]1CN(C(=O)c2cc(C(C)C)[nH]n2)CC[C@@H]1C(F)(F)F ZINC000998298628 792504510 /nfs/dbraw/zinc/50/45/10/792504510.db2.gz YPVKVSYGGJMXHJ-FZMZJTMJSA-N 1 2 342.365 2.149 20 30 EEEDLO C=C(C)CCC(=O)N[C@H](CNc1[nH+]cnc2c1cnn2C)C1CC1 ZINC001109916182 806191897 /nfs/dbraw/zinc/19/18/97/806191897.db2.gz TZVNESBKYKUHMR-CQSZACIVSA-N 1 2 328.420 2.026 20 30 EEEDLO C#CC[C@@H](NC(=O)N[C@@H](CC)C[NH+]1CCOCC1)c1ccccc1 ZINC000921666149 792904237 /nfs/dbraw/zinc/90/42/37/792904237.db2.gz PLIGSHAOSKMITG-ZWKOTPCHSA-N 1 2 329.444 2.161 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@@H](C)[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001089183588 793206288 /nfs/dbraw/zinc/20/62/88/793206288.db2.gz LVKGGYHNQLYQAV-ZBFHGGJFSA-N 1 2 332.448 2.274 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092084947 793552489 /nfs/dbraw/zinc/55/24/89/793552489.db2.gz XNVWEDDGRRFGMP-DNVCBOLYSA-N 1 2 346.475 2.223 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)c(C)o1)c1nccn12 ZINC001092364194 793838776 /nfs/dbraw/zinc/83/87/76/793838776.db2.gz ZDOGIQJFBWDPNF-HNNXBMFYSA-N 1 2 338.411 2.002 20 30 EEEDLO C#CCCCCC(=O)N[C@H](C)C[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001089266964 793850847 /nfs/dbraw/zinc/85/08/47/793850847.db2.gz CRTINFCOYVJHTR-KGLIPLIRSA-N 1 2 342.447 2.252 20 30 EEEDLO Cc1cc(N2C[C@@H](CNC(=O)[C@H](C)C#N)[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC001092336386 793857919 /nfs/dbraw/zinc/85/79/19/793857919.db2.gz JZFCDYATBIDRHF-LALPHHSUSA-N 1 2 327.432 2.011 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC13CC3)c1nccn12 ZINC001092378525 793872338 /nfs/dbraw/zinc/87/23/38/793872338.db2.gz OFKREGILLLDKOW-JKSUJKDBSA-N 1 2 338.455 2.059 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@]1(C)C[C@H]3C[C@H]3C1)c1nccn12 ZINC001092381564 793877396 /nfs/dbraw/zinc/87/73/96/793877396.db2.gz WDHSUPFPFNDIOH-BASYENTBSA-N 1 2 326.444 2.077 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(F)cc(F)c1)c1nccn12 ZINC001092410727 793960506 /nfs/dbraw/zinc/96/05/06/793960506.db2.gz NSRHBGFRVOXHAH-HNNXBMFYSA-N 1 2 344.365 2.233 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C)c(C)c1)c1nccn12 ZINC001092411084 793960515 /nfs/dbraw/zinc/96/05/15/793960515.db2.gz TYDBTAJYUJXOLP-SFHVURJKSA-N 1 2 348.450 2.409 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)c(F)cc2F)[C@@H](O)C1 ZINC001090354185 794156085 /nfs/dbraw/zinc/15/60/85/794156085.db2.gz IMYMPGCNERQSDD-GJZGRUSLSA-N 1 2 344.789 2.191 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(F)cc2F)[C@@H](O)C1 ZINC001090354185 794156089 /nfs/dbraw/zinc/15/60/89/794156089.db2.gz IMYMPGCNERQSDD-GJZGRUSLSA-N 1 2 344.789 2.191 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC[NH2+]Cc1nc(-c2ccoc2)no1 ZINC001128081623 794416178 /nfs/dbraw/zinc/41/61/78/794416178.db2.gz WDMKAUUVYJROCA-UHFFFAOYSA-N 1 2 330.388 2.304 20 30 EEEDLO Cc1cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC2CC2)C3)nc(C2CC2)[nH+]1 ZINC001092965931 794503203 /nfs/dbraw/zinc/50/32/03/794503203.db2.gz QSOJFDWIZBIOKQ-ZACQAIPSSA-N 1 2 336.439 2.302 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2nc([C@H](C)OC)no2)C1 ZINC000999899581 795053499 /nfs/dbraw/zinc/05/34/99/795053499.db2.gz NUGICUFTEXDXCO-STQMWFEESA-N 1 2 336.436 2.070 20 30 EEEDLO CC1(C)CC(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@@H]2O)C1 ZINC001083721424 795234261 /nfs/dbraw/zinc/23/42/61/795234261.db2.gz BRNCZGNQYFNQIY-MSOLQXFVSA-N 1 2 341.455 2.046 20 30 EEEDLO CC1(C)CC(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@@H]2O)C1 ZINC001083721424 795234265 /nfs/dbraw/zinc/23/42/65/795234265.db2.gz BRNCZGNQYFNQIY-MSOLQXFVSA-N 1 2 341.455 2.046 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)C1 ZINC001093552081 795371277 /nfs/dbraw/zinc/37/12/77/795371277.db2.gz ATJUEMGTHQNWAR-QUCCMNQESA-N 1 2 348.487 2.214 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3c(F)cccc3F)CC2)C1 ZINC001093595229 795434546 /nfs/dbraw/zinc/43/45/46/795434546.db2.gz RARNSRIYPOVVMZ-UHFFFAOYSA-N 1 2 336.382 2.456 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)Cc3csc(C)n3)CC2)C1 ZINC001093595398 795434903 /nfs/dbraw/zinc/43/49/03/795434903.db2.gz BEKBNVGJOJEMKI-UHFFFAOYSA-N 1 2 349.500 2.262 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1[nH]nc2c1CCC2 ZINC001080026557 795502602 /nfs/dbraw/zinc/50/26/02/795502602.db2.gz XPJFGLTYQFCUKM-FZKQIMNGSA-N 1 2 349.438 2.020 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1[nH]nc2c1CCC2 ZINC001080026557 795502607 /nfs/dbraw/zinc/50/26/07/795502607.db2.gz XPJFGLTYQFCUKM-FZKQIMNGSA-N 1 2 349.438 2.020 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@H](C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106443465 795598628 /nfs/dbraw/zinc/59/86/28/795598628.db2.gz XUHVZJGFGOAWMD-KGLIPLIRSA-N 1 2 344.459 2.009 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)COC/C=C/c2ccccc2)C1 ZINC001108022410 795621298 /nfs/dbraw/zinc/62/12/98/795621298.db2.gz IDEDMMDUMLDTJT-JRMCHAMMSA-N 1 2 344.455 2.110 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)COC/C=C/c2ccccc2)C1 ZINC001108022410 795621302 /nfs/dbraw/zinc/62/13/02/795621302.db2.gz 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345.487 2.100 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)CC3CCCCCC3)CC2=O)C1 ZINC001094787783 796580693 /nfs/dbraw/zinc/58/06/93/796580693.db2.gz GSDZTIUXFQIOIL-QGZVFWFLSA-N 1 2 347.503 2.324 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)[C@H]1C ZINC000993647304 796870223 /nfs/dbraw/zinc/87/02/23/796870223.db2.gz NHSGTSPBTNMKNV-KBXCAEBGSA-N 1 2 337.427 2.373 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@H]1C ZINC000993647304 796870224 /nfs/dbraw/zinc/87/02/24/796870224.db2.gz NHSGTSPBTNMKNV-KBXCAEBGSA-N 1 2 337.427 2.373 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H](C)C1CCC1 ZINC001081843158 796950788 /nfs/dbraw/zinc/95/07/88/796950788.db2.gz OIELETJCBFPXNK-GDIGMMSISA-N 1 2 341.455 2.310 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H](C)C1CCC1 ZINC001081843158 796950791 /nfs/dbraw/zinc/95/07/91/796950791.db2.gz OIELETJCBFPXNK-GDIGMMSISA-N 1 2 341.455 2.310 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@H]1CNC(=O)Cc1c[nH+]ccc1OC 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Cc1cc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)n[nH]1 ZINC001095302069 797755907 /nfs/dbraw/zinc/75/59/07/797755907.db2.gz CFUHHJCGFJDBIP-AABGKKOBSA-N 1 2 348.450 2.034 20 30 EEEDLO Cc1cc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)n[nH]1 ZINC001095302069 797755913 /nfs/dbraw/zinc/75/59/13/797755913.db2.gz CFUHHJCGFJDBIP-AABGKKOBSA-N 1 2 348.450 2.034 20 30 EEEDLO CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001083002208 797800868 /nfs/dbraw/zinc/80/08/68/797800868.db2.gz XWPJBVZBAFMUQC-JKSUJKDBSA-N 1 2 347.484 2.468 20 30 EEEDLO CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001083002208 797800873 /nfs/dbraw/zinc/80/08/73/797800873.db2.gz XWPJBVZBAFMUQC-JKSUJKDBSA-N 1 2 347.484 2.468 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CCCCCC2=O)[C@@H]1C ZINC000994365407 797852464 /nfs/dbraw/zinc/85/24/64/797852464.db2.gz PKSSFLROOGYYMH-GJZGRUSLSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2CCCCCC2=O)[C@@H]1C 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ZINC000299293613 268232420 /nfs/dbraw/zinc/23/24/20/268232420.db2.gz KTSYKJDWKVZRBA-VOTSOKGWSA-N 1 2 332.407 2.311 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000444716452 268279440 /nfs/dbraw/zinc/27/94/40/268279440.db2.gz GDAUAJOHZVTEGO-SWLSCSKDSA-N 1 2 341.333 2.132 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000444716452 268279442 /nfs/dbraw/zinc/27/94/42/268279442.db2.gz GDAUAJOHZVTEGO-SWLSCSKDSA-N 1 2 341.333 2.132 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000275343523 269108623 /nfs/dbraw/zinc/10/86/23/269108623.db2.gz SYEBOJCNEYCYGO-HOCLYGCPSA-N 1 2 325.372 2.334 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000277637390 269166169 /nfs/dbraw/zinc/16/61/69/269166169.db2.gz BTXIHABRVLCIIW-ZYHUDNBSSA-N 1 2 347.362 2.193 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000277637390 269166171 /nfs/dbraw/zinc/16/61/71/269166171.db2.gz 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465099070 /nfs/dbraw/zinc/09/90/70/465099070.db2.gz HFYVABIQKRMGPL-HNNXBMFYSA-N 1 2 348.403 2.477 20 30 EEEDLO CO[C@@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1(C)C ZINC000296282725 465142417 /nfs/dbraw/zinc/14/24/17/465142417.db2.gz ZDLIYRVGKQTXLO-ZIAGYGMSSA-N 1 2 333.457 2.472 20 30 EEEDLO CO[C@@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1(C)C ZINC000296282725 465142423 /nfs/dbraw/zinc/14/24/23/465142423.db2.gz ZDLIYRVGKQTXLO-ZIAGYGMSSA-N 1 2 333.457 2.472 20 30 EEEDLO CN1CCOC[C@H]1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000328978721 465189803 /nfs/dbraw/zinc/18/98/03/465189803.db2.gz XEUBMVQNDGNRQG-INIZCTEOSA-N 1 2 332.448 2.249 20 30 EEEDLO C[N@H+](CC(=O)Nc1ccc2c(c1)S(=O)(=O)CC2)[C@H]1CCSC1 ZINC000329079738 465226685 /nfs/dbraw/zinc/22/66/85/465226685.db2.gz RBTPHXMRDBDRHN-ZDUSSCGKSA-N 1 2 340.470 2.042 20 30 EEEDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)S(=O)(=O)CC2)[C@H]1CCSC1 ZINC000329079738 465226692 /nfs/dbraw/zinc/22/66/92/465226692.db2.gz RBTPHXMRDBDRHN-ZDUSSCGKSA-N 1 2 340.470 2.042 20 30 EEEDLO COCc1ccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)o1 ZINC000355188501 465231005 /nfs/dbraw/zinc/23/10/05/465231005.db2.gz NOFIDODXPJZRJL-ORAYPTAESA-N 1 2 337.379 2.271 20 30 EEEDLO COCc1ccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)o1 ZINC000355188501 465231010 /nfs/dbraw/zinc/23/10/10/465231010.db2.gz NOFIDODXPJZRJL-ORAYPTAESA-N 1 2 337.379 2.271 20 30 EEEDLO CC(C)C[C@@](C)(C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000355592893 465258546 /nfs/dbraw/zinc/25/85/46/465258546.db2.gz CIDOIVNTRXBSJF-MJGOQNOKSA-N 1 2 329.444 2.332 20 30 EEEDLO CC(C)C[C@@](C)(C#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000355592893 465258549 /nfs/dbraw/zinc/25/85/49/465258549.db2.gz CIDOIVNTRXBSJF-MJGOQNOKSA-N 1 2 329.444 2.332 20 30 EEEDLO C=CC[C@@H](CO)CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000341760164 465259017 /nfs/dbraw/zinc/25/90/17/465259017.db2.gz BPCDSVDMLAGAAB-OAHLLOKOSA-N 1 2 344.415 2.268 20 30 EEEDLO CC(C)(CCC#N)CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000358680420 465261238 /nfs/dbraw/zinc/26/12/38/465261238.db2.gz GXIAYOMVTLDQTK-UHFFFAOYSA-N 1 2 329.448 2.239 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C1(c2noc(C)n2)CCCCC1 ZINC000342322806 465310498 /nfs/dbraw/zinc/31/04/98/465310498.db2.gz SUZUYXBQGGLJBU-ZDUSSCGKSA-N 1 2 333.436 2.135 20 30 EEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2nnc(C3CC3)o2)CC1 ZINC000329368898 465313032 /nfs/dbraw/zinc/31/30/32/465313032.db2.gz JIHLKVBOCHJBJY-GFCCVEGCSA-N 1 2 333.436 2.357 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1C#N ZINC000329375470 465316111 /nfs/dbraw/zinc/31/61/11/465316111.db2.gz LJUWAADXTGICOG-YPMHNXCESA-N 1 2 346.456 2.080 20 30 EEEDLO N#Cc1csc(CN2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC000356357613 465336204 /nfs/dbraw/zinc/33/62/04/465336204.db2.gz YJBSCBOHVKJNJL-IAGOWNOFSA-N 1 2 340.452 2.100 20 30 EEEDLO N#Cc1csc(CN2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC000356357613 465336213 /nfs/dbraw/zinc/33/62/13/465336213.db2.gz YJBSCBOHVKJNJL-IAGOWNOFSA-N 1 2 340.452 2.100 20 30 EEEDLO C#CCNC(=O)C1CC[NH+](Cn2cc(C(C)C)n(C)c2=S)CC1 ZINC000491066763 468293443 /nfs/dbraw/zinc/29/34/43/468293443.db2.gz FAXGOWQHWXEEQV-UHFFFAOYSA-N 1 2 334.489 2.098 20 30 EEEDLO C#C[C@H](NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)c1ccc(Cl)cc1F ZINC000491094155 468298885 /nfs/dbraw/zinc/29/88/85/468298885.db2.gz HLSLELWFLHVTLK-GOEBONIOSA-N 1 2 348.809 2.306 20 30 EEEDLO Cc1cccc2c1OC[C@H]([NH+]=C([O-])N[C@@H]1CCc3[nH]c[nH+]c3C1)C2 ZINC000329698895 465410159 /nfs/dbraw/zinc/41/01/59/465410159.db2.gz CVNCHLWTPRVGSW-ZIAGYGMSSA-N 1 2 326.400 2.083 20 30 EEEDLO COc1ccccc1[C@@H](NC(=O)N(C)C[C@@H](C)C#N)c1[nH+]ccn1C ZINC000045307227 462575786 /nfs/dbraw/zinc/57/57/86/462575786.db2.gz XWCYZRTZQPVHAG-XJKSGUPXSA-N 1 2 341.415 2.319 20 30 EEEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H](O)C2)c1C#N ZINC000114469980 462652926 /nfs/dbraw/zinc/65/29/26/462652926.db2.gz RNZZFZJCQBRRSI-INIZCTEOSA-N 1 2 344.459 2.487 20 30 EEEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@H](O)C2)c1C#N ZINC000114469980 462652931 /nfs/dbraw/zinc/65/29/31/462652931.db2.gz RNZZFZJCQBRRSI-INIZCTEOSA-N 1 2 344.459 2.487 20 30 EEEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000063589866 462656463 /nfs/dbraw/zinc/65/64/63/462656463.db2.gz RHOXPOPAGTYIHM-UHFFFAOYSA-N 1 2 347.267 2.323 20 30 EEEDLO C=CC1CC[NH+](CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)CC1 ZINC000128637539 462658913 /nfs/dbraw/zinc/65/89/13/462658913.db2.gz OGLJNTLPCSDJGP-UHFFFAOYSA-N 1 2 346.822 2.152 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C#N ZINC000063749571 462668916 /nfs/dbraw/zinc/66/89/16/462668916.db2.gz RZKLQGFQJKXCEQ-NWDGAFQWSA-N 1 2 348.472 2.231 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1C#N ZINC000063749571 462668920 /nfs/dbraw/zinc/66/89/20/462668920.db2.gz RZKLQGFQJKXCEQ-NWDGAFQWSA-N 1 2 348.472 2.231 20 30 EEEDLO Cc1ccc([C@H]2COCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)o1 ZINC000116894324 462780047 /nfs/dbraw/zinc/78/00/47/462780047.db2.gz SBXUTGUHIWYSKR-FUHWJXTLSA-N 1 2 342.395 2.273 20 30 EEEDLO Cc1ccc([C@H]2COCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)o1 ZINC000116894324 462780053 /nfs/dbraw/zinc/78/00/53/462780053.db2.gz SBXUTGUHIWYSKR-FUHWJXTLSA-N 1 2 342.395 2.273 20 30 EEEDLO COCCCOCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000091102293 462836387 /nfs/dbraw/zinc/83/63/87/462836387.db2.gz HDLJTCJACSCYSR-UHFFFAOYSA-N 1 2 339.823 2.135 20 30 EEEDLO COCCCOCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000091102293 462836393 /nfs/dbraw/zinc/83/63/93/462836393.db2.gz HDLJTCJACSCYSR-UHFFFAOYSA-N 1 2 339.823 2.135 20 30 EEEDLO CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000133427482 462929504 /nfs/dbraw/zinc/92/95/04/462929504.db2.gz CVZSGRNKTQQQMW-INIZCTEOSA-N 1 2 344.459 2.088 20 30 EEEDLO CCNC(=O)C[N@@H+](CC)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000133427482 462929509 /nfs/dbraw/zinc/92/95/09/462929509.db2.gz CVZSGRNKTQQQMW-INIZCTEOSA-N 1 2 344.459 2.088 20 30 EEEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000092455336 462953455 /nfs/dbraw/zinc/95/34/55/462953455.db2.gz HUBXEFBCEKNYGH-AWEZNQCLSA-N 1 2 341.415 2.305 20 30 EEEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000092455336 462953459 /nfs/dbraw/zinc/95/34/59/462953459.db2.gz HUBXEFBCEKNYGH-AWEZNQCLSA-N 1 2 341.415 2.305 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000077488386 462993254 /nfs/dbraw/zinc/99/32/54/462993254.db2.gz VPBVTDAKNURKBA-UHFFFAOYSA-N 1 2 348.410 2.429 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000019534107 463018986 /nfs/dbraw/zinc/01/89/86/463018986.db2.gz CNINOWXMZAYPDS-UHFFFAOYSA-N 1 2 333.413 2.355 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000019534107 463018989 /nfs/dbraw/zinc/01/89/89/463018989.db2.gz CNINOWXMZAYPDS-UHFFFAOYSA-N 1 2 333.413 2.355 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(OCc2cscn2)c1 ZINC000568399433 468332164 /nfs/dbraw/zinc/33/21/64/468332164.db2.gz NWPONBXDYLETEH-KRWDZBQOSA-N 1 2 344.440 2.296 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000051184061 463025152 /nfs/dbraw/zinc/02/51/52/463025152.db2.gz MJLJKLAQUGXBFF-HNNXBMFYSA-N 1 2 348.878 2.470 20 30 EEEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000134543873 463053297 /nfs/dbraw/zinc/05/32/97/463053297.db2.gz IEMLKONMBFRPDX-UHFFFAOYSA-N 1 2 338.820 2.119 20 30 EEEDLO COc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cc1C#N ZINC000135076393 463115395 /nfs/dbraw/zinc/11/53/95/463115395.db2.gz JTDNWVZNZAPDLY-QGZVFWFLSA-N 1 2 339.395 2.441 20 30 EEEDLO COc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cc1C#N ZINC000135076393 463115399 /nfs/dbraw/zinc/11/53/99/463115399.db2.gz JTDNWVZNZAPDLY-QGZVFWFLSA-N 1 2 339.395 2.441 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2sccc2Br)CC1 ZINC000068444517 463138180 /nfs/dbraw/zinc/13/81/80/463138180.db2.gz JATLOEGFLAXIKD-UHFFFAOYSA-N 1 2 327.247 2.292 20 30 EEEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000536023584 468339797 /nfs/dbraw/zinc/33/97/97/468339797.db2.gz SFXXRAAKBPTJNO-QGZVFWFLSA-N 1 2 327.409 2.023 20 30 EEEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000536023584 468339801 /nfs/dbraw/zinc/33/98/01/468339801.db2.gz SFXXRAAKBPTJNO-QGZVFWFLSA-N 1 2 327.409 2.023 20 30 EEEDLO C[C@H](NC(=O)c1cccc(SCC#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000079542068 463226054 /nfs/dbraw/zinc/22/60/54/463226054.db2.gz CFJUZPLGJHQFKU-KBPBESRZSA-N 1 2 333.457 2.141 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445077 463257095 /nfs/dbraw/zinc/25/70/95/463257095.db2.gz YBPONNAWEKBQQX-HNNXBMFYSA-N 1 2 335.411 2.102 20 30 EEEDLO C=CCCOCC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000144976993 463379779 /nfs/dbraw/zinc/37/97/79/463379779.db2.gz CZUIBLMNRHWJJL-QGZVFWFLSA-N 1 2 329.400 2.227 20 30 EEEDLO C#CC[NH+]1CCN(Cn2nc(-c3cccc(C)c3)n(C)c2=S)CC1 ZINC000124342282 463411948 /nfs/dbraw/zinc/41/19/48/463411948.db2.gz USQABBSJVARIFO-UHFFFAOYSA-N 1 2 341.484 2.135 20 30 EEEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000106870642 463544359 /nfs/dbraw/zinc/54/43/59/463544359.db2.gz AJUFDZPJLBVGEG-HNNXBMFYSA-N 1 2 344.415 2.096 20 30 EEEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000106870642 463544361 /nfs/dbraw/zinc/54/43/61/463544361.db2.gz AJUFDZPJLBVGEG-HNNXBMFYSA-N 1 2 344.415 2.096 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(S(=O)(=O)CC3CCCC3)CC2)cc1 ZINC000268903439 463801416 /nfs/dbraw/zinc/80/14/16/463801416.db2.gz XHBAZQWAEQRWOU-UHFFFAOYSA-N 1 2 347.484 2.196 20 30 EEEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)CSCC#N)CC2)c1 ZINC000171588062 463887954 /nfs/dbraw/zinc/88/79/54/463887954.db2.gz LIKAXNCBPAATEX-AWEZNQCLSA-N 1 2 333.457 2.157 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000186056407 463929436 /nfs/dbraw/zinc/92/94/36/463929436.db2.gz FMJCMWPLTAMDOS-GFCCVEGCSA-N 1 2 332.366 2.419 20 30 EEEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2cccc(C(=O)CC)c2)CC1 ZINC000178806990 463980533 /nfs/dbraw/zinc/98/05/33/463980533.db2.gz FIPDSYZMKKZSBB-UHFFFAOYSA-N 1 2 336.457 2.208 20 30 EEEDLO CC(C)(C)[C@@H](NC(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1cccs1 ZINC000283759628 463999274 /nfs/dbraw/zinc/99/92/74/463999274.db2.gz ATLYZIGFYYFRMC-RISCZKNCSA-N 1 2 339.461 2.419 20 30 EEEDLO C#C[C@H](NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)C(C)(C)C ZINC000288229703 464036034 /nfs/dbraw/zinc/03/60/34/464036034.db2.gz ALOOMCUWWIICCL-HNNXBMFYSA-N 1 2 338.411 2.190 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)CCCCC1 ZINC000289870057 464099153 /nfs/dbraw/zinc/09/91/53/464099153.db2.gz LTIAMOBAWGAJHD-AWEZNQCLSA-N 1 2 335.839 2.126 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)CCCCC1 ZINC000289870057 464099159 /nfs/dbraw/zinc/09/91/59/464099159.db2.gz LTIAMOBAWGAJHD-AWEZNQCLSA-N 1 2 335.839 2.126 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280256549 464195244 /nfs/dbraw/zinc/19/52/44/464195244.db2.gz BUWKXZGAOANEDF-LIRRHRJNSA-N 1 2 343.427 2.155 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280256549 464195252 /nfs/dbraw/zinc/19/52/52/464195252.db2.gz BUWKXZGAOANEDF-LIRRHRJNSA-N 1 2 343.427 2.155 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000180452987 464313295 /nfs/dbraw/zinc/31/32/95/464313295.db2.gz NXEOLSNOHMCHLC-HNNXBMFYSA-N 1 2 332.448 2.462 20 30 EEEDLO CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000188574740 464313883 /nfs/dbraw/zinc/31/38/83/464313883.db2.gz YYAJOOHLAIMDDL-GOSISDBHSA-N 1 2 327.428 2.160 20 30 EEEDLO CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000188574740 464313887 /nfs/dbraw/zinc/31/38/87/464313887.db2.gz YYAJOOHLAIMDDL-GOSISDBHSA-N 1 2 327.428 2.160 20 30 EEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000174221889 464379271 /nfs/dbraw/zinc/37/92/71/464379271.db2.gz FMHXGXFQESWMLX-LBPRGKRZSA-N 1 2 343.387 2.458 20 30 EEEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@H](C)C(=O)NCc1ccccc1F ZINC000174224122 464379997 /nfs/dbraw/zinc/37/99/97/464379997.db2.gz VQIFJNFGRLETKL-CHWSQXEVSA-N 1 2 339.411 2.180 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2CC)C1=O ZINC000281379783 464433731 /nfs/dbraw/zinc/43/37/31/464433731.db2.gz PBOFHMMNOAZKJY-MRXNPFEDSA-N 1 2 329.444 2.215 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2c(C)cccc2CC)C1=O ZINC000281379783 464433734 /nfs/dbraw/zinc/43/37/34/464433734.db2.gz PBOFHMMNOAZKJY-MRXNPFEDSA-N 1 2 329.444 2.215 20 30 EEEDLO CC(C)(C#N)CCC[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000174808035 464452925 /nfs/dbraw/zinc/45/29/25/464452925.db2.gz VLNOZHIPKSZBAH-UHFFFAOYSA-N 1 2 335.473 2.323 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NCc2ccccc2Cl)C1=O ZINC000281509886 464484451 /nfs/dbraw/zinc/48/44/51/464484451.db2.gz YSCKMIIXJYUKAL-CZUORRHYSA-N 1 2 349.862 2.063 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NCc2ccccc2Cl)C1=O ZINC000281509886 464484455 /nfs/dbraw/zinc/48/44/55/464484455.db2.gz YSCKMIIXJYUKAL-CZUORRHYSA-N 1 2 349.862 2.063 20 30 EEEDLO C=C(C)CN(CC)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000285229483 464493035 /nfs/dbraw/zinc/49/30/35/464493035.db2.gz XIHCFHXTODDQJS-UHFFFAOYSA-N 1 2 344.390 2.052 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000246832275 464626115 /nfs/dbraw/zinc/62/61/15/464626115.db2.gz AOOOWRDDYHOCBE-ZIAGYGMSSA-N 1 2 333.457 2.476 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000246832275 464626117 /nfs/dbraw/zinc/62/61/17/464626117.db2.gz AOOOWRDDYHOCBE-ZIAGYGMSSA-N 1 2 333.457 2.476 20 30 EEEDLO C=CCNC(=O)[C@H](C)N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000272764078 464687857 /nfs/dbraw/zinc/68/78/57/464687857.db2.gz PFRRXTOVSQFLCF-ZDUSSCGKSA-N 1 2 328.391 2.060 20 30 EEEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000247679461 464701805 /nfs/dbraw/zinc/70/18/05/464701805.db2.gz RPKWUNOGVIFPEO-DGCLKSJQSA-N 1 2 327.222 2.423 20 30 EEEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000247679461 464701810 /nfs/dbraw/zinc/70/18/10/464701810.db2.gz RPKWUNOGVIFPEO-DGCLKSJQSA-N 1 2 327.222 2.423 20 30 EEEDLO C[C@@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000591167820 468420425 /nfs/dbraw/zinc/42/04/25/468420425.db2.gz RHFCKOPAAPPVOB-CQSZACIVSA-N 1 2 330.432 2.029 20 30 EEEDLO CNc1ccc(C#N)cc1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000285945202 464750618 /nfs/dbraw/zinc/75/06/18/464750618.db2.gz MJHXMOXJLQQVAI-QGZVFWFLSA-N 1 2 328.416 2.182 20 30 EEEDLO CNc1ccc(C#N)cc1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000285945202 464750624 /nfs/dbraw/zinc/75/06/24/464750624.db2.gz MJHXMOXJLQQVAI-QGZVFWFLSA-N 1 2 328.416 2.182 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c2nncn2C)cc1 ZINC000275033950 464762611 /nfs/dbraw/zinc/76/26/11/464762611.db2.gz AXMKXRZOIRTFLP-HUUCEWRRSA-N 1 2 340.431 2.110 20 30 EEEDLO C=CCCN(C)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000276035042 464795542 /nfs/dbraw/zinc/79/55/42/464795542.db2.gz FEXQQHDGGXZRNU-UHFFFAOYSA-N 1 2 347.459 2.115 20 30 EEEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)cc1F ZINC000191220136 464801166 /nfs/dbraw/zinc/80/11/66/464801166.db2.gz OFKMHVVPPWDEGT-UHFFFAOYSA-N 1 2 340.402 2.302 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2Cl)C1=O ZINC000295422759 464827258 /nfs/dbraw/zinc/82/72/58/464827258.db2.gz UHGQNWPHFXLTHW-AWEZNQCLSA-N 1 2 336.819 2.345 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cccc(C(=O)OC)c2Cl)C1=O ZINC000295422759 464827262 /nfs/dbraw/zinc/82/72/62/464827262.db2.gz UHGQNWPHFXLTHW-AWEZNQCLSA-N 1 2 336.819 2.345 20 30 EEEDLO COc1cc(C[NH+]2CCN(c3ncccc3F)CC2)ccc1C#N ZINC000282475228 464831175 /nfs/dbraw/zinc/83/11/75/464831175.db2.gz WOBRTPAWANJQPU-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO Cc1cc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc[nH+]1 ZINC000192245600 464893391 /nfs/dbraw/zinc/89/33/91/464893391.db2.gz SDCVZMVSTYKCND-QGZVFWFLSA-N 1 2 349.394 2.184 20 30 EEEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000267030646 464910438 /nfs/dbraw/zinc/91/04/38/464910438.db2.gz AYVAKTJOOAPBDC-AWEZNQCLSA-N 1 2 333.432 2.286 20 30 EEEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000267030646 464910442 /nfs/dbraw/zinc/91/04/42/464910442.db2.gz AYVAKTJOOAPBDC-AWEZNQCLSA-N 1 2 333.432 2.286 20 30 EEEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000249866692 464920126 /nfs/dbraw/zinc/92/01/26/464920126.db2.gz ICOGQWZKTKWYKZ-DLBZAZTESA-N 1 2 328.460 2.205 20 30 EEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000249866692 464920129 /nfs/dbraw/zinc/92/01/29/464920129.db2.gz ICOGQWZKTKWYKZ-DLBZAZTESA-N 1 2 328.460 2.205 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)O[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000267418686 464929934 /nfs/dbraw/zinc/92/99/34/464929934.db2.gz MAJVUWBDNYNAHP-AWEZNQCLSA-N 1 2 331.416 2.116 20 30 EEEDLO C=CCNC(=O)Nc1ccc(NC(=O)CCc2c[nH+]cn2C)cc1 ZINC000192479887 464933214 /nfs/dbraw/zinc/93/32/14/464933214.db2.gz BHORWGONCZDIKD-UHFFFAOYSA-N 1 2 327.388 2.299 20 30 EEEDLO CC[C@H]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000268323838 465016410 /nfs/dbraw/zinc/01/64/10/465016410.db2.gz LOFMQMYKHMESDK-ROUUACIJSA-N 1 2 327.428 2.160 20 30 EEEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)/C=C\c2cccc(C#N)c2)no1 ZINC000254965990 465021131 /nfs/dbraw/zinc/02/11/31/465021131.db2.gz XDWLKDWDITZBGF-HJWRWDBZSA-N 1 2 339.399 2.068 20 30 EEEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3c(C)nn(C)c3C)C2)[nH]1 ZINC000329441838 465334977 /nfs/dbraw/zinc/33/49/77/465334977.db2.gz LBXMZODNVKSBRP-JSGCOSHPSA-N 1 2 345.451 2.320 20 30 EEEDLO Cc1nnc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3c(C)nn(C)c3C)C2)[nH]1 ZINC000329441838 465334984 /nfs/dbraw/zinc/33/49/84/465334984.db2.gz LBXMZODNVKSBRP-JSGCOSHPSA-N 1 2 345.451 2.320 20 30 EEEDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3c(C)nn(C)c3C)C2)n1 ZINC000329441838 465334990 /nfs/dbraw/zinc/33/49/90/465334990.db2.gz LBXMZODNVKSBRP-JSGCOSHPSA-N 1 2 345.451 2.320 20 30 EEEDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3c(C)nn(C)c3C)C2)n1 ZINC000329441838 465334997 /nfs/dbraw/zinc/33/49/97/465334997.db2.gz LBXMZODNVKSBRP-JSGCOSHPSA-N 1 2 345.451 2.320 20 30 EEEDLO COCCn1cc2c(n1)[C@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)CCC2 ZINC000329487723 465349832 /nfs/dbraw/zinc/34/98/32/465349832.db2.gz GUMMDKOWWQEBCC-XJKSGUPXSA-N 1 2 343.431 2.323 20 30 EEEDLO O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)N1CCn2c[nH+]cc2C1 ZINC000329545384 465366183 /nfs/dbraw/zinc/36/61/83/465366183.db2.gz GQLIDIHFWPNRGW-OAHLLOKOSA-N 1 2 343.406 2.421 20 30 EEEDLO Cc1noc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)n1 ZINC000348106234 465426255 /nfs/dbraw/zinc/42/62/55/465426255.db2.gz GKJIYUZZVRGBSO-STQMWFEESA-N 1 2 327.388 2.364 20 30 EEEDLO C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@@H](C2CC2)O1 ZINC000329891143 465464052 /nfs/dbraw/zinc/46/40/52/465464052.db2.gz HKBXXBBNLSXVNF-SKDZVZGDSA-N 1 2 330.428 2.446 20 30 EEEDLO C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@@H](C2CC2)O1 ZINC000329891143 465464060 /nfs/dbraw/zinc/46/40/60/465464060.db2.gz HKBXXBBNLSXVNF-SKDZVZGDSA-N 1 2 330.428 2.446 20 30 EEEDLO CCN1CCN(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329941554 465482292 /nfs/dbraw/zinc/48/22/92/465482292.db2.gz CFQWBUSDOATDIH-UONOGXRCSA-N 1 2 349.479 2.348 20 30 EEEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000343184174 465487348 /nfs/dbraw/zinc/48/73/48/465487348.db2.gz QVUNSFGHZOCETP-CYBMUJFWSA-N 1 2 339.399 2.392 20 30 EEEDLO N#Cc1cc(C#N)c(SCc2[nH+]ccn2CC(F)(F)F)nc1N ZINC000343200634 465488849 /nfs/dbraw/zinc/48/88/49/465488849.db2.gz SJXWPNNQQSFRKU-UHFFFAOYSA-N 1 2 338.318 2.458 20 30 EEEDLO CC(C)C[C@H](C)n1nccc1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000330071285 465523233 /nfs/dbraw/zinc/52/32/33/465523233.db2.gz ISSNXPGNTFUGFP-GJZGRUSLSA-N 1 2 336.484 2.062 20 30 EEEDLO CC(C)C[C@H](C)n1nccc1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000330071285 465523238 /nfs/dbraw/zinc/52/32/38/465523238.db2.gz ISSNXPGNTFUGFP-GJZGRUSLSA-N 1 2 336.484 2.062 20 30 EEEDLO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@H]21)Nc1nc2c(s1)CCC2 ZINC000330174968 465558126 /nfs/dbraw/zinc/55/81/26/465558126.db2.gz ISHXWVMYPBZASA-DGCLKSJQSA-N 1 2 339.486 2.426 20 30 EEEDLO O=C(C[N@H+]1CCS[C@@H]2COCC[C@H]21)Nc1nc2c(s1)CCC2 ZINC000330174968 465558130 /nfs/dbraw/zinc/55/81/30/465558130.db2.gz ISHXWVMYPBZASA-DGCLKSJQSA-N 1 2 339.486 2.426 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CC(OCC(F)F)C1 ZINC000353009182 465581431 /nfs/dbraw/zinc/58/14/31/465581431.db2.gz FOVJERXGMJWBLB-AWEZNQCLSA-N 1 2 327.371 2.121 20 30 EEEDLO O=C(Nc1ccccc1C[NH+]1CCOCC1)c1cc2n(n1)CCCO2 ZINC000330346292 465624847 /nfs/dbraw/zinc/62/48/47/465624847.db2.gz GISZYFHOIWDHKU-UHFFFAOYSA-N 1 2 342.399 2.134 20 30 EEEDLO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCN(CC#N)CC1 ZINC000353153323 465677823 /nfs/dbraw/zinc/67/78/23/465677823.db2.gz KIPMUNOMOLHIHV-UHFFFAOYSA-N 1 2 329.835 2.475 20 30 EEEDLO CN(CC(F)(F)F)C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000330532951 465696181 /nfs/dbraw/zinc/69/61/81/465696181.db2.gz OBRNNPXMWNDOLP-NSHDSACASA-N 1 2 334.342 2.296 20 30 EEEDLO Cc1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)nn1CCC#N ZINC000348825150 465821493 /nfs/dbraw/zinc/82/14/93/465821493.db2.gz FVEICHCXZKDDKG-UHFFFAOYSA-N 1 2 334.383 2.602 20 30 EEEDLO CC#CCCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000361347499 465925438 /nfs/dbraw/zinc/92/54/38/465925438.db2.gz VLTIEYHMHDKAIC-UHFFFAOYSA-N 1 2 335.205 2.309 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000366931357 466023646 /nfs/dbraw/zinc/02/36/46/466023646.db2.gz DPJLGKVTXQJWDS-HPFXQQBRSA-N 1 2 329.444 2.251 20 30 EEEDLO C=CCN1C(=O)N(CCCn2cc[nH+]c2)C(=O)[C@@H]1Cc1ccccc1 ZINC000349296061 466054494 /nfs/dbraw/zinc/05/44/94/466054494.db2.gz KKGKZWAQIOGSCU-KRWDZBQOSA-N 1 2 338.411 2.335 20 30 EEEDLO Cc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1Br ZINC000580305674 468474785 /nfs/dbraw/zinc/47/47/85/468474785.db2.gz PRUJZOWOBJLMKH-ZDUSSCGKSA-N 1 2 326.238 2.376 20 30 EEEDLO Cc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1Br ZINC000580305674 468474788 /nfs/dbraw/zinc/47/47/88/468474788.db2.gz PRUJZOWOBJLMKH-ZDUSSCGKSA-N 1 2 326.238 2.376 20 30 EEEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)C[C@@H]1Cc1ccccc1 ZINC000331496633 466111014 /nfs/dbraw/zinc/11/10/14/466111014.db2.gz SDXSVWOZUQASDP-SFHVURJKSA-N 1 2 335.407 2.263 20 30 EEEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)C[C@@H]1Cc1ccccc1 ZINC000331496633 466111020 /nfs/dbraw/zinc/11/10/20/466111020.db2.gz SDXSVWOZUQASDP-SFHVURJKSA-N 1 2 335.407 2.263 20 30 EEEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cccc(C(=O)OC)n1 ZINC000346631014 466122014 /nfs/dbraw/zinc/12/20/14/466122014.db2.gz ZXNFAVCBVHRPMP-UHFFFAOYSA-N 1 2 343.383 2.130 20 30 EEEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cccc(C(=O)OC)n1 ZINC000346631014 466122026 /nfs/dbraw/zinc/12/20/26/466122026.db2.gz ZXNFAVCBVHRPMP-UHFFFAOYSA-N 1 2 343.383 2.130 20 30 EEEDLO Cc1noc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000594052095 468472816 /nfs/dbraw/zinc/47/28/16/468472816.db2.gz DGYBKKNRWXQIOL-UHFFFAOYSA-N 1 2 345.428 2.261 20 30 EEEDLO Cc1noc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000594052095 468472820 /nfs/dbraw/zinc/47/28/20/468472820.db2.gz DGYBKKNRWXQIOL-UHFFFAOYSA-N 1 2 345.428 2.261 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000346970684 466290237 /nfs/dbraw/zinc/29/02/37/466290237.db2.gz GTZADXDADWLILP-UHFFFAOYSA-N 1 2 328.372 2.122 20 30 EEEDLO N#CC1(NC(=O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000346970684 466290247 /nfs/dbraw/zinc/29/02/47/466290247.db2.gz GTZADXDADWLILP-UHFFFAOYSA-N 1 2 328.372 2.122 20 30 EEEDLO C[S@](=O)c1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000349969069 466331563 /nfs/dbraw/zinc/33/15/63/466331563.db2.gz FWMOBFUZEOVVQM-DEOSSOPVSA-N 1 2 340.452 2.013 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000581072688 468487828 /nfs/dbraw/zinc/48/78/28/468487828.db2.gz AMZFPNTYYBOFKH-KRWDZBQOSA-N 1 2 345.834 2.158 20 30 EEEDLO Cc1cc(S(=O)(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)ccc1C#N ZINC000365538493 466852206 /nfs/dbraw/zinc/85/22/06/466852206.db2.gz YTSJJIBSTLRTRK-SFHVURJKSA-N 1 2 341.436 2.332 20 30 EEEDLO Cc1cc(S(=O)(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)ccc1C#N ZINC000365538493 466852209 /nfs/dbraw/zinc/85/22/09/466852209.db2.gz YTSJJIBSTLRTRK-SFHVURJKSA-N 1 2 341.436 2.332 20 30 EEEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000370623166 466943672 /nfs/dbraw/zinc/94/36/72/466943672.db2.gz VXHRFXUYOQXUFG-UHFFFAOYSA-N 1 2 333.395 2.156 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2CCOC[C@H]2CC(=O)OC)cc1OC ZINC000377868073 467156337 /nfs/dbraw/zinc/15/63/37/467156337.db2.gz FMBMIQMHDPSIFV-OAHLLOKOSA-N 1 2 335.400 2.024 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2CCOC[C@H]2CC(=O)OC)cc1OC ZINC000377868073 467156340 /nfs/dbraw/zinc/15/63/40/467156340.db2.gz FMBMIQMHDPSIFV-OAHLLOKOSA-N 1 2 335.400 2.024 20 30 EEEDLO CO[C@H]1C[C@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C12CCC2 ZINC000451858856 467275615 /nfs/dbraw/zinc/27/56/15/467275615.db2.gz VTUGQMWAYUZDAW-IRXDYDNUSA-N 1 2 348.468 2.221 20 30 EEEDLO CO[C@H]1C[C@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C12CCC2 ZINC000451858856 467275616 /nfs/dbraw/zinc/27/56/16/467275616.db2.gz VTUGQMWAYUZDAW-IRXDYDNUSA-N 1 2 348.468 2.221 20 30 EEEDLO COCC[C@H](C)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000413623643 467280762 /nfs/dbraw/zinc/28/07/62/467280762.db2.gz JMHSBMHPDJLZKV-INIZCTEOSA-N 1 2 344.459 2.058 20 30 EEEDLO CCN1CCN(C(=O)CCc2ccc(C#N)cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000433118339 467294821 /nfs/dbraw/zinc/29/48/21/467294821.db2.gz WUKSEKVRUMIZMZ-KRWDZBQOSA-N 1 2 337.427 2.119 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(Br)cc1F ZINC000414136292 467381923 /nfs/dbraw/zinc/38/19/23/467381923.db2.gz IVQPDNUVTRFGDU-NSHDSACASA-N 1 2 331.185 2.173 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(Br)cc1F ZINC000414136292 467381926 /nfs/dbraw/zinc/38/19/26/467381926.db2.gz IVQPDNUVTRFGDU-NSHDSACASA-N 1 2 331.185 2.173 20 30 EEEDLO COc1cc(C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)ccc1C#N ZINC000442837270 467577780 /nfs/dbraw/zinc/57/77/80/467577780.db2.gz JLNJTVIGRWYFIQ-UHFFFAOYSA-N 1 2 327.428 2.400 20 30 EEEDLO COc1cc(C[N@H+]2CCN(C(=O)C3CC3)CC2(C)C)ccc1C#N ZINC000442837270 467577781 /nfs/dbraw/zinc/57/77/81/467577781.db2.gz JLNJTVIGRWYFIQ-UHFFFAOYSA-N 1 2 327.428 2.400 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)C1=O ZINC000492968078 467808297 /nfs/dbraw/zinc/80/82/97/467808297.db2.gz HNCKKQYXDGGCOR-KKUMJFAQSA-N 1 2 337.464 2.103 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)C1=O ZINC000492968078 467808301 /nfs/dbraw/zinc/80/83/01/467808301.db2.gz HNCKKQYXDGGCOR-KKUMJFAQSA-N 1 2 337.464 2.103 20 30 EEEDLO CC(C)(CC#N)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000457452693 467826873 /nfs/dbraw/zinc/82/68/73/467826873.db2.gz KQFKFTJSCRQKLG-QGZVFWFLSA-N 1 2 344.459 2.126 20 30 EEEDLO CC(C)(CC#N)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000457452693 467826876 /nfs/dbraw/zinc/82/68/76/467826876.db2.gz KQFKFTJSCRQKLG-QGZVFWFLSA-N 1 2 344.459 2.126 20 30 EEEDLO C=CCOc1ccc(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000515080690 467972702 /nfs/dbraw/zinc/97/27/02/467972702.db2.gz VZXOLMMRIFLNPE-OAHLLOKOSA-N 1 2 326.400 2.262 20 30 EEEDLO CC#CCCNC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000483403145 468008212 /nfs/dbraw/zinc/00/82/12/468008212.db2.gz HKHRNQSJLZDIDS-UHFFFAOYSA-N 1 2 329.444 2.326 20 30 EEEDLO Cc1ccc2ncc(C#N)c(N3CC[NH+](Cc4cnn(C)c4)CC3)c2c1 ZINC000488060998 468069683 /nfs/dbraw/zinc/06/96/83/468069683.db2.gz YGNIKDIOFNMXKO-UHFFFAOYSA-N 1 2 346.438 2.471 20 30 EEEDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)CCC(C)(C)C#N)CC2)c1 ZINC000566037328 468141815 /nfs/dbraw/zinc/14/18/15/468141815.db2.gz UGJGRAPCAQNQAH-UHFFFAOYSA-N 1 2 349.500 2.382 20 30 EEEDLO N#Cc1cnn2cc(C[N@H+]3CCC[C@H](OCC(F)(F)F)C3)cnc12 ZINC000550105385 468206629 /nfs/dbraw/zinc/20/66/29/468206629.db2.gz CJZHWXFPSIUWEE-ZDUSSCGKSA-N 1 2 339.321 2.144 20 30 EEEDLO N#Cc1cnn2cc(C[N@@H+]3CCC[C@H](OCC(F)(F)F)C3)cnc12 ZINC000550105385 468206633 /nfs/dbraw/zinc/20/66/33/468206633.db2.gz CJZHWXFPSIUWEE-ZDUSSCGKSA-N 1 2 339.321 2.144 20 30 EEEDLO CN1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)c2ccc[nH+]c21 ZINC000490322600 468207055 /nfs/dbraw/zinc/20/70/55/468207055.db2.gz OJERHIFCTGGOQA-UHFFFAOYSA-N 1 2 348.815 2.252 20 30 EEEDLO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592147409 468636339 /nfs/dbraw/zinc/63/63/39/468636339.db2.gz LMODNKXUGHLCFL-OXJNMPFZSA-N 1 2 343.471 2.413 20 30 EEEDLO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592147409 468636346 /nfs/dbraw/zinc/63/63/46/468636346.db2.gz LMODNKXUGHLCFL-OXJNMPFZSA-N 1 2 343.471 2.413 20 30 EEEDLO N#Cc1ccccc1OCC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597941950 468719434 /nfs/dbraw/zinc/71/94/34/468719434.db2.gz SZCJWBSOHXOCBN-UHFFFAOYSA-N 1 2 336.395 2.249 20 30 EEEDLO CCOc1c(Cl)cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1OC ZINC000583634594 468732436 /nfs/dbraw/zinc/73/24/36/468732436.db2.gz ZVOGRHUJLMWLJP-INIZCTEOSA-N 1 2 339.823 2.321 20 30 EEEDLO Cc1noc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1[N+](=O)[O-] ZINC000595302119 468807075 /nfs/dbraw/zinc/80/70/75/468807075.db2.gz RSMFSBSBGUFZEP-UHFFFAOYSA-N 1 2 327.344 2.085 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000593155645 468889287 /nfs/dbraw/zinc/88/92/87/468889287.db2.gz NFDQPMMUSDPVFY-KRWDZBQOSA-N 1 2 348.834 2.040 20 30 EEEDLO COc1cc(Br)ccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593154934 468889318 /nfs/dbraw/zinc/88/93/18/468889318.db2.gz ZIFQIYLVRBKTSF-CQSZACIVSA-N 1 2 340.221 2.031 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1noc(C2CC2)n1 ZINC000584775843 468933337 /nfs/dbraw/zinc/93/33/37/468933337.db2.gz UHMGMJDXIMKINN-HNNXBMFYSA-N 1 2 329.400 2.205 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc3ccccc3nc2OC)C1=O ZINC000572543887 468947879 /nfs/dbraw/zinc/94/78/79/468947879.db2.gz SNOOWBLJAPMKHW-KRWDZBQOSA-N 1 2 325.412 2.462 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc3ccccc3nc2OC)C1=O ZINC000572543887 468947886 /nfs/dbraw/zinc/94/78/86/468947886.db2.gz SNOOWBLJAPMKHW-KRWDZBQOSA-N 1 2 325.412 2.462 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822388 469027502 /nfs/dbraw/zinc/02/75/02/469027502.db2.gz SKXBDDQLBZZCFG-KBXCAEBGSA-N 1 2 333.476 2.320 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822388 469027510 /nfs/dbraw/zinc/02/75/10/469027510.db2.gz SKXBDDQLBZZCFG-KBXCAEBGSA-N 1 2 333.476 2.320 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822391 469028532 /nfs/dbraw/zinc/02/85/32/469028532.db2.gz SKXBDDQLBZZCFG-RDTXWAMCSA-N 1 2 333.476 2.320 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822391 469028537 /nfs/dbraw/zinc/02/85/37/469028537.db2.gz SKXBDDQLBZZCFG-RDTXWAMCSA-N 1 2 333.476 2.320 20 30 EEEDLO C[C@H]([NH2+][C@H](CO)c1cccc(Cl)c1Cl)C(=O)N(C)CCC#N ZINC000595831196 469031271 /nfs/dbraw/zinc/03/12/71/469031271.db2.gz YSARHEOQHGRBAA-GXFFZTMASA-N 1 2 344.242 2.377 20 30 EEEDLO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@@H](C)CC#N)C[C@@H](C)CC2 ZINC000602871188 469130483 /nfs/dbraw/zinc/13/04/83/469130483.db2.gz YXFHEIQXDVLEOE-QWRGUYRKSA-N 1 2 349.456 2.490 20 30 EEEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000602870810 469131689 /nfs/dbraw/zinc/13/16/89/469131689.db2.gz XJXGBDQADCSNMT-VXHVZIFVSA-N 1 2 332.448 2.061 20 30 EEEDLO Cc1cccc([C@@H](CNc2c(C#N)cnn2C)[NH+]2CCOCC2)c1 ZINC000596073012 469140166 /nfs/dbraw/zinc/14/01/66/469140166.db2.gz CXLXIAYZZZNADZ-QGZVFWFLSA-N 1 2 325.416 2.086 20 30 EEEDLO N#CCCN1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000611175149 469182439 /nfs/dbraw/zinc/18/24/39/469182439.db2.gz AGBLCKMQOZRYJS-UHFFFAOYSA-N 1 2 337.345 2.468 20 30 EEEDLO CC[C@H]1CN(c2cc(C)[nH+]c(N3CCO[C@@H](CC)C3)c2C#N)CCO1 ZINC000589102760 469194649 /nfs/dbraw/zinc/19/46/49/469194649.db2.gz CGFPGIXAWHLIOX-HOTGVXAUSA-N 1 2 344.459 2.492 20 30 EEEDLO CC[N@@H+]1CCc2nc(NC(=O)c3cc(O)cc(C#N)c3)sc2C1 ZINC000589166512 469205838 /nfs/dbraw/zinc/20/58/38/469205838.db2.gz ADWXNRQQXOLQAZ-UHFFFAOYSA-N 1 2 328.397 2.351 20 30 EEEDLO CC[N@H+]1CCc2nc(NC(=O)c3cc(O)cc(C#N)c3)sc2C1 ZINC000589166512 469205846 /nfs/dbraw/zinc/20/58/46/469205846.db2.gz ADWXNRQQXOLQAZ-UHFFFAOYSA-N 1 2 328.397 2.351 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCc2[nH+]c[nH]c2C1 ZINC000599420546 469249638 /nfs/dbraw/zinc/24/96/38/469249638.db2.gz DUQCNJSZTFTTHH-SNVBAGLBSA-N 1 2 341.440 2.217 20 30 EEEDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000564873157 469261012 /nfs/dbraw/zinc/26/10/12/469261012.db2.gz UOUHUBFVXUHNPG-IAQYHMDHSA-N 1 2 336.417 2.035 20 30 EEEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1cc(C#N)ccc1F ZINC000599446073 469261429 /nfs/dbraw/zinc/26/14/29/469261429.db2.gz YXVXZFOSAKYPLG-SFHVURJKSA-N 1 2 336.374 2.302 20 30 EEEDLO CC1(C)C[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1c1cccnc1 ZINC000596589631 469307108 /nfs/dbraw/zinc/30/71/08/469307108.db2.gz AKBQLFKGONDKFH-KRWDZBQOSA-N 1 2 325.416 2.120 20 30 EEEDLO CC1(C)C[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1c1cccnc1 ZINC000596589631 469307114 /nfs/dbraw/zinc/30/71/14/469307114.db2.gz AKBQLFKGONDKFH-KRWDZBQOSA-N 1 2 325.416 2.120 20 30 EEEDLO CO[C@H](C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1CCOCC1 ZINC000602429219 469312455 /nfs/dbraw/zinc/31/24/55/469312455.db2.gz VAGKZAVOVJAEEP-VQTJNVASSA-N 1 2 343.471 2.138 20 30 EEEDLO CO[C@H](C[N@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1CCOCC1 ZINC000602429219 469312459 /nfs/dbraw/zinc/31/24/59/469312459.db2.gz VAGKZAVOVJAEEP-VQTJNVASSA-N 1 2 343.471 2.138 20 30 EEEDLO COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@](C)(C#N)C2)cc1OC ZINC000612161024 469408592 /nfs/dbraw/zinc/40/85/92/469408592.db2.gz NSQPJULWPKEOEZ-IFXJQAMLSA-N 1 2 345.443 2.334 20 30 EEEDLO COc1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@](C)(C#N)C2)cc1OC ZINC000612161024 469408598 /nfs/dbraw/zinc/40/85/98/469408598.db2.gz NSQPJULWPKEOEZ-IFXJQAMLSA-N 1 2 345.443 2.334 20 30 EEEDLO N#Cc1ccc(N2CCN(C(=O)CCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000604569373 469495825 /nfs/dbraw/zinc/49/58/25/469495825.db2.gz XZQJEUFBNAJIDH-UHFFFAOYSA-N 1 2 341.390 2.023 20 30 EEEDLO C=CC[C@@H](C)NC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000604904618 469526710 /nfs/dbraw/zinc/52/67/10/469526710.db2.gz MEWLMYIHHBJSFV-CQSZACIVSA-N 1 2 330.432 2.160 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCC[C@H]3C#N)CC2)cs1 ZINC000613166538 469646199 /nfs/dbraw/zinc/64/61/99/469646199.db2.gz VQGZORUIIXFIFV-GOEBONIOSA-N 1 2 347.488 2.361 20 30 EEEDLO Cc1nc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCC[C@H]3C#N)CC2)cs1 ZINC000613166538 469646203 /nfs/dbraw/zinc/64/62/03/469646203.db2.gz VQGZORUIIXFIFV-GOEBONIOSA-N 1 2 347.488 2.361 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000619717723 469669332 /nfs/dbraw/zinc/66/93/32/469669332.db2.gz FDDWDSPHFQRKJG-TZMCWYRMSA-N 1 2 347.333 2.105 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000619717723 469669336 /nfs/dbraw/zinc/66/93/36/469669336.db2.gz FDDWDSPHFQRKJG-TZMCWYRMSA-N 1 2 347.333 2.105 20 30 EEEDLO N#CC1(CS(=O)(=O)NCC[NH+]2Cc3ccccc3C2)CCCCC1 ZINC000613913247 469815232 /nfs/dbraw/zinc/81/52/32/469815232.db2.gz LUEKEGDHTQXFFF-UHFFFAOYSA-N 1 2 347.484 2.396 20 30 EEEDLO N#CC1(CS(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000613919823 469816241 /nfs/dbraw/zinc/81/62/41/469816241.db2.gz GXQNFLWTEICHSW-OAHLLOKOSA-N 1 2 336.461 2.324 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000609485203 469932076 /nfs/dbraw/zinc/93/20/76/469932076.db2.gz LBRVHHHEOXONIT-MJGOQNOKSA-N 1 2 342.487 2.199 20 30 EEEDLO CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609538471 469937685 /nfs/dbraw/zinc/93/76/85/469937685.db2.gz STXFNINITLSZBJ-MSOLQXFVSA-N 1 2 336.524 2.483 20 30 EEEDLO N#C[C@H](NC(=O)CCn1cc[nH+]c1)c1ccccc1Br ZINC000609590662 469945310 /nfs/dbraw/zinc/94/53/10/469945310.db2.gz KYCILHHEJLQELU-ZDUSSCGKSA-N 1 2 333.189 2.417 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000653124510 471500215 /nfs/dbraw/zinc/50/02/15/471500215.db2.gz KCBHEBXGTQHNKY-IKGGRYGDSA-N 1 2 340.427 2.347 20 30 EEEDLO Cc1ccc(C(=O)N2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)s1 ZINC000598586791 485619521 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C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Cc3cccc(F)c3)C2)C1 ZINC000972693298 679615767 /nfs/dbraw/zinc/61/57/67/679615767.db2.gz YFYIKOSRZGGWEP-UZLBHIALSA-N 1 2 346.446 2.494 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ncnc3[nH]ccc32)C(C)(C)C1 ZINC000974773827 685424296 /nfs/dbraw/zinc/42/42/96/685424296.db2.gz KAFYSGOSVIZOPG-LBPRGKRZSA-N 1 2 333.823 2.102 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ncnc3[nH]ccc32)C(C)(C)C1 ZINC000974773827 685424298 /nfs/dbraw/zinc/42/42/98/685424298.db2.gz KAFYSGOSVIZOPG-LBPRGKRZSA-N 1 2 333.823 2.102 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1CNC(=O)c1n[nH]cc1F ZINC001024636941 681304818 /nfs/dbraw/zinc/30/48/18/681304818.db2.gz DXVXDVMCRWYVNO-OAHLLOKOSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)c1n[nH]cc1F ZINC001024636941 681304821 /nfs/dbraw/zinc/30/48/21/681304821.db2.gz DXVXDVMCRWYVNO-OAHLLOKOSA-N 1 2 341.390 2.205 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2n[nH]nc2c1 ZINC001024795042 681448800 /nfs/dbraw/zinc/44/88/00/681448800.db2.gz XMEJKCQTZJBHPT-ZDUSSCGKSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2n[nH]nc2c1 ZINC001024795042 681448803 /nfs/dbraw/zinc/44/88/03/681448803.db2.gz XMEJKCQTZJBHPT-ZDUSSCGKSA-N 1 2 333.823 2.295 20 30 EEEDLO Cc1noc(C[N@@H+]2CCC[C@H]2[C@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC001025227667 682257309 /nfs/dbraw/zinc/25/73/09/682257309.db2.gz AXYMFRGDBORPLL-DLBZAZTESA-N 1 2 342.443 2.137 20 30 EEEDLO Cc1noc(C[N@H+]2CCC[C@H]2[C@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC001025227667 682257311 /nfs/dbraw/zinc/25/73/11/682257311.db2.gz AXYMFRGDBORPLL-DLBZAZTESA-N 1 2 342.443 2.137 20 30 EEEDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCN(CC#N)C1 ZINC001025493513 682919539 /nfs/dbraw/zinc/91/95/39/682919539.db2.gz OUAZNXGLKWQNEN-WBVHZDCISA-N 1 2 337.427 2.226 20 30 EEEDLO O=C(CCn1cccn1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029216886 683558901 /nfs/dbraw/zinc/55/89/01/683558901.db2.gz XOWCRIAXBGHDME-BGYRXZFFSA-N 1 2 348.450 2.000 20 30 EEEDLO O=C(CCn1cccn1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029216886 683558905 /nfs/dbraw/zinc/55/89/05/683558905.db2.gz XOWCRIAXBGHDME-BGYRXZFFSA-N 1 2 348.450 2.000 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001031089596 683720840 /nfs/dbraw/zinc/72/08/40/683720840.db2.gz OGPIGXXFDDCOLG-XBFCOCLRSA-N 1 2 347.286 2.352 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cocn2)CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000993103016 683927231 /nfs/dbraw/zinc/92/72/31/683927231.db2.gz JVYSICMDUWJWLA-RHSMWYFYSA-N 1 2 341.386 2.448 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cocn2)CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000993103016 683927233 /nfs/dbraw/zinc/92/72/33/683927233.db2.gz JVYSICMDUWJWLA-RHSMWYFYSA-N 1 2 341.386 2.448 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2ccnn2C)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993113187 683939188 /nfs/dbraw/zinc/93/91/88/683939188.db2.gz UNWXCOIPAKBRSG-RHSMWYFYSA-N 1 2 337.427 2.075 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2ccnn2C)CCC[N@H+]1Cc1ccccc1C#N ZINC000993113187 683939189 /nfs/dbraw/zinc/93/91/89/683939189.db2.gz UNWXCOIPAKBRSG-RHSMWYFYSA-N 1 2 337.427 2.075 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccnc1OC ZINC001029422936 684481028 /nfs/dbraw/zinc/48/10/28/684481028.db2.gz KYLFBSLGSJQSQW-IYBDPMFKSA-N 1 2 329.444 2.478 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccnc1OC ZINC001029422936 684481029 /nfs/dbraw/zinc/48/10/29/684481029.db2.gz KYLFBSLGSJQSQW-IYBDPMFKSA-N 1 2 329.444 2.478 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000984606914 684868689 /nfs/dbraw/zinc/86/86/89/684868689.db2.gz ZLAAKGNGDZSKFR-DNVCBOLYSA-N 1 2 346.475 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCCc3n[nH]cc32)C(C)(C)C1 ZINC000974582337 685095740 /nfs/dbraw/zinc/09/57/40/685095740.db2.gz KWHZPEVQIFEFTC-WFASDCNBSA-N 1 2 336.867 2.409 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2CCCc3n[nH]cc32)C(C)(C)C1 ZINC000974582337 685095747 /nfs/dbraw/zinc/09/57/47/685095747.db2.gz KWHZPEVQIFEFTC-WFASDCNBSA-N 1 2 336.867 2.409 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc3ncn(C)c3n2)C(C)(C)C1 ZINC000975032689 686083588 /nfs/dbraw/zinc/08/35/88/686083588.db2.gz YDQASQOTXDZCQM-AWEZNQCLSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc3ncn(C)c3n2)C(C)(C)C1 ZINC000975032689 686083589 /nfs/dbraw/zinc/08/35/89/686083589.db2.gz YDQASQOTXDZCQM-AWEZNQCLSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H]2CC)CC1 ZINC000985345345 686366483 /nfs/dbraw/zinc/36/64/83/686366483.db2.gz LFECGODYVDOODD-JKSUJKDBSA-N 1 2 344.459 2.194 20 30 EEEDLO Cc1nccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)n1 ZINC001029588809 686446581 /nfs/dbraw/zinc/44/65/81/686446581.db2.gz MYNNEZWJKWWXDT-KDURUIRLSA-N 1 2 346.434 2.126 20 30 EEEDLO Cc1nccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)n1 ZINC001029588809 686446583 /nfs/dbraw/zinc/44/65/83/686446583.db2.gz MYNNEZWJKWWXDT-KDURUIRLSA-N 1 2 346.434 2.126 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2ncc(Cl)s2)C1 ZINC001029677089 686762887 /nfs/dbraw/zinc/76/28/87/686762887.db2.gz IRRRGBYEVZODIC-GHMZBOCLSA-N 1 2 326.853 2.236 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H](C[N@@H+](C)Cc2ncc(Cl)s2)C1 ZINC001029677089 686762889 /nfs/dbraw/zinc/76/28/89/686762889.db2.gz IRRRGBYEVZODIC-GHMZBOCLSA-N 1 2 326.853 2.236 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ocnc2C(F)F)cc1 ZINC001038704206 686867022 /nfs/dbraw/zinc/86/70/22/686867022.db2.gz MKRWTPVKFREZSW-ZDUSSCGKSA-N 1 2 346.337 2.488 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ocnc2C(F)F)cc1 ZINC001038704206 686867027 /nfs/dbraw/zinc/86/70/27/686867027.db2.gz MKRWTPVKFREZSW-ZDUSSCGKSA-N 1 2 346.337 2.488 20 30 EEEDLO C[N@@H+](Cc1csc(Cl)n1)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029733348 686941781 /nfs/dbraw/zinc/94/17/81/686941781.db2.gz HVBHYIQRWDAHES-ZDUSSCGKSA-N 1 2 337.876 2.490 20 30 EEEDLO C[N@H+](Cc1csc(Cl)n1)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029733348 686941783 /nfs/dbraw/zinc/94/17/83/686941783.db2.gz HVBHYIQRWDAHES-ZDUSSCGKSA-N 1 2 337.876 2.490 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000975878150 686956245 /nfs/dbraw/zinc/95/62/45/686956245.db2.gz PDZMTZPBMSOEMN-RBSFLKMASA-N 1 2 344.459 2.223 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000975878150 686956247 /nfs/dbraw/zinc/95/62/47/686956247.db2.gz PDZMTZPBMSOEMN-RBSFLKMASA-N 1 2 344.459 2.223 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3nncs3)C2)cc1 ZINC001029798876 687122958 /nfs/dbraw/zinc/12/29/58/687122958.db2.gz ORWBNYFTTOEMPE-HNNXBMFYSA-N 1 2 340.452 2.114 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3nncs3)C2)cc1 ZINC001029798876 687122959 /nfs/dbraw/zinc/12/29/59/687122959.db2.gz ORWBNYFTTOEMPE-HNNXBMFYSA-N 1 2 340.452 2.114 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2nc(C3CC3)nn2C)C1 ZINC001029805224 687133474 /nfs/dbraw/zinc/13/34/74/687133474.db2.gz ZWWDIIGOQNZDAY-CQSZACIVSA-N 1 2 345.491 2.185 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](C[N@H+](C)Cc2nc(C3CC3)nn2C)C1 ZINC001029805224 687133475 /nfs/dbraw/zinc/13/34/75/687133475.db2.gz ZWWDIIGOQNZDAY-CQSZACIVSA-N 1 2 345.491 2.185 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC000987145948 689419498 /nfs/dbraw/zinc/41/94/98/689419498.db2.gz OQMYJRJUKTVGAI-INIZCTEOSA-N 1 2 344.459 2.127 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@@H]([NH2+]Cc3nc(COC)no3)C[C@H]2C)CC1 ZINC000989397719 691672127 /nfs/dbraw/zinc/67/21/27/691672127.db2.gz BWGYELKVCCEUPW-HIFRSBDPSA-N 1 2 348.447 2.041 20 30 EEEDLO Cc1nc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)c(C)o1 ZINC001032070212 1192132798 /nfs/dbraw/zinc/13/27/98/1192132798.db2.gz NMPRGGIPYFKSKF-UHFFFAOYSA-N 1 2 342.374 2.164 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCCC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000943408397 1192234877 /nfs/dbraw/zinc/23/48/77/1192234877.db2.gz JPAVRACXOXSNSI-OAHLLOKOSA-N 1 2 344.459 2.114 20 30 EEEDLO Cc1nc(CC(=O)NCC[N@@H+](C)Cc2ccccc2C#N)c(C)s1 ZINC001480879715 1176680751 /nfs/dbraw/zinc/68/07/51/1176680751.db2.gz RMFPWWHDRPJNBY-UHFFFAOYSA-N 1 2 342.468 2.422 20 30 EEEDLO Cc1nc(CC(=O)NCC[N@H+](C)Cc2ccccc2C#N)c(C)s1 ZINC001480879715 1176680753 /nfs/dbraw/zinc/68/07/53/1176680753.db2.gz RMFPWWHDRPJNBY-UHFFFAOYSA-N 1 2 342.468 2.422 20 30 EEEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=O)c3ccccc3C#N)C2)C1 ZINC001269400270 1184236468 /nfs/dbraw/zinc/23/64/68/1184236468.db2.gz GPXYSKFVEYICJX-UHFFFAOYSA-N 1 2 338.436 2.281 20 30 EEEDLO CCCCCC#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)nn1C ZINC001271959068 1186709156 /nfs/dbraw/zinc/70/91/56/1186709156.db2.gz RRRIVDRBNVJBEM-HDICACEKSA-N 1 2 342.487 2.487 20 30 EEEDLO CCCCCC#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)nn1C ZINC001271959068 1186709162 /nfs/dbraw/zinc/70/91/62/1186709162.db2.gz RRRIVDRBNVJBEM-HDICACEKSA-N 1 2 342.487 2.487 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)[nH]n1 ZINC001088482940 1187008305 /nfs/dbraw/zinc/00/83/05/1187008305.db2.gz HNUBNCVQLFVNCG-WBMJQRKESA-N 1 2 341.390 2.122 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)[nH]n1 ZINC001088482940 1187008308 /nfs/dbraw/zinc/00/83/08/1187008308.db2.gz HNUBNCVQLFVNCG-WBMJQRKESA-N 1 2 341.390 2.122 20 30 EEEDLO CC/C=C(/C)C(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001211964063 1187490013 /nfs/dbraw/zinc/49/00/13/1187490013.db2.gz AKOQUCGCAZGRDF-HKCUQPEYSA-N 1 2 345.418 2.369 20 30 EEEDLO CC/C=C(/C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001211964063 1187490016 /nfs/dbraw/zinc/49/00/16/1187490016.db2.gz AKOQUCGCAZGRDF-HKCUQPEYSA-N 1 2 345.418 2.369 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2cnc(C)o2)[C@H]1C ZINC001088619368 1187924211 /nfs/dbraw/zinc/92/42/11/1187924211.db2.gz JLMVSMXNQCEWGY-MFKMUULPSA-N 1 2 342.237 2.013 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2cnc(C)o2)[C@H]1C ZINC001088619368 1187924212 /nfs/dbraw/zinc/92/42/12/1187924212.db2.gz JLMVSMXNQCEWGY-MFKMUULPSA-N 1 2 342.237 2.013 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCN(C)c1cccc(F)c1C#N ZINC001105577684 1188191722 /nfs/dbraw/zinc/19/17/22/1188191722.db2.gz VTOFISXJXULHIA-CYBMUJFWSA-N 1 2 343.406 2.194 20 30 EEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCN(C)c1cccc(F)c1C#N ZINC001105577684 1188191724 /nfs/dbraw/zinc/19/17/24/1188191724.db2.gz VTOFISXJXULHIA-CYBMUJFWSA-N 1 2 343.406 2.194 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(OC)nc(OC)c2)[C@H]1C ZINC001088705287 1188324654 /nfs/dbraw/zinc/32/46/54/1188324654.db2.gz BVMZMONUPAWHJH-YPMHNXCESA-N 1 2 339.823 2.044 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(OC)nc(OC)c2)[C@H]1C ZINC001088705287 1188324657 /nfs/dbraw/zinc/32/46/57/1188324657.db2.gz BVMZMONUPAWHJH-YPMHNXCESA-N 1 2 339.823 2.044 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C(F)F)nn2C)[C@H]1C ZINC001088743611 1188402551 /nfs/dbraw/zinc/40/25/51/1188402551.db2.gz DJZFDWNIUOKMBY-ZJUUUORDSA-N 1 2 332.782 2.303 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C(F)F)nn2C)[C@H]1C ZINC001088743611 1188402554 /nfs/dbraw/zinc/40/25/54/1188402554.db2.gz DJZFDWNIUOKMBY-ZJUUUORDSA-N 1 2 332.782 2.303 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC34CC4)[C@@H]2C1 ZINC001076287409 1188831315 /nfs/dbraw/zinc/83/13/15/1188831315.db2.gz OVLHJTZJWVHAKO-YNEHKIRRSA-N 1 2 325.250 2.228 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC34CC4)[C@@H]2C1 ZINC001076287409 1188831320 /nfs/dbraw/zinc/83/13/20/1188831320.db2.gz OVLHJTZJWVHAKO-YNEHKIRRSA-N 1 2 325.250 2.228 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001076547337 1188989193 /nfs/dbraw/zinc/98/91/93/1188989193.db2.gz QLKRPVDYKDLWEY-DLBZAZTESA-N 1 2 346.475 2.429 20 30 EEEDLO C=CCOCC(=O)NCc1ccc(CCNc2cc[nH+]c(C)n2)cc1 ZINC001098665272 1189079849 /nfs/dbraw/zinc/07/98/49/1189079849.db2.gz XOTZUZIOGLTYTO-UHFFFAOYSA-N 1 2 340.427 2.258 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC3(C)CCCC3)C2)nn1 ZINC001098666665 1189145167 /nfs/dbraw/zinc/14/51/67/1189145167.db2.gz CZUPBWFIWFGQCI-KRWDZBQOSA-N 1 2 343.475 2.135 20 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ZINC001409912403 1191128367 /nfs/dbraw/zinc/12/83/67/1191128367.db2.gz KZCFRKAYJGTKFM-CYBMUJFWSA-N 1 2 338.835 2.263 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001033362575 1194474887 /nfs/dbraw/zinc/47/48/87/1194474887.db2.gz MOQDWIHSXJEJHM-KBPBESRZSA-N 1 2 336.867 2.125 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001033362575 1194474889 /nfs/dbraw/zinc/47/48/89/1194474889.db2.gz MOQDWIHSXJEJHM-KBPBESRZSA-N 1 2 336.867 2.125 20 30 EEEDLO Cc1nocc1C(=O)N(C)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033379486 1194493367 /nfs/dbraw/zinc/49/33/67/1194493367.db2.gz VDTQMBXAIWJVCO-QGZVFWFLSA-N 1 2 341.386 2.320 20 30 EEEDLO Cc1nocc1C(=O)N(C)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033379486 1194493370 /nfs/dbraw/zinc/49/33/70/1194493370.db2.gz VDTQMBXAIWJVCO-QGZVFWFLSA-N 1 2 341.386 2.320 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001033432375 1194551824 /nfs/dbraw/zinc/55/18/24/1194551824.db2.gz NYEQYNPSGBTGJF-OAGGEKHMSA-N 1 2 349.862 2.359 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001033432375 1194551827 /nfs/dbraw/zinc/55/18/27/1194551827.db2.gz NYEQYNPSGBTGJF-OAGGEKHMSA-N 1 2 349.862 2.359 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2nn(C)c(C)c2Cl)C1 ZINC001033464552 1194599979 /nfs/dbraw/zinc/59/99/79/1194599979.db2.gz ACKIUDIOSLHTIF-NSHDSACASA-N 1 2 331.247 2.281 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2nn(C)c(C)c2Cl)C1 ZINC001033464552 1194599983 /nfs/dbraw/zinc/59/99/83/1194599983.db2.gz ACKIUDIOSLHTIF-NSHDSACASA-N 1 2 331.247 2.281 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001033489831 1194643753 /nfs/dbraw/zinc/64/37/53/1194643753.db2.gz BTIQKZVRHCKEOI-RYRKJORJSA-N 1 2 347.459 2.305 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001033489831 1194643754 /nfs/dbraw/zinc/64/37/54/1194643754.db2.gz BTIQKZVRHCKEOI-RYRKJORJSA-N 1 2 347.459 2.305 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+]([C@H](C)c3ncc(C)o3)C2)nc1 ZINC001033596693 1194928373 /nfs/dbraw/zinc/92/83/73/1194928373.db2.gz LYGSQPGUCMURLI-ZBFHGGJFSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+]([C@H](C)c3ncc(C)o3)C2)nc1 ZINC001033596693 1194928375 /nfs/dbraw/zinc/92/83/75/1194928375.db2.gz LYGSQPGUCMURLI-ZBFHGGJFSA-N 1 2 338.411 2.267 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCOC2)C1 ZINC001033773160 1195222645 /nfs/dbraw/zinc/22/26/45/1195222645.db2.gz OLAJREKWVIYKHF-KBPBESRZSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCOC2)C1 ZINC001033773160 1195222649 /nfs/dbraw/zinc/22/26/49/1195222649.db2.gz OLAJREKWVIYKHF-KBPBESRZSA-N 1 2 345.281 2.244 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC001033800849 1195284160 /nfs/dbraw/zinc/28/41/60/1195284160.db2.gz ANBNGDRXXSPIQD-BBRMVZONSA-N 1 2 341.415 2.480 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC001033800849 1195284165 /nfs/dbraw/zinc/28/41/65/1195284165.db2.gz ANBNGDRXXSPIQD-BBRMVZONSA-N 1 2 341.415 2.480 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033807438 1195291039 /nfs/dbraw/zinc/29/10/39/1195291039.db2.gz UMWPHIASVIEDGW-KRWDZBQOSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033807438 1195291043 /nfs/dbraw/zinc/29/10/43/1195291043.db2.gz UMWPHIASVIEDGW-KRWDZBQOSA-N 1 2 341.390 2.157 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2OCC[C@H]2C)C1 ZINC001033955340 1195556451 /nfs/dbraw/zinc/55/64/51/1195556451.db2.gz ZGAWRECQFPOJOM-XBFCOCLRSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2OCC[C@H]2C)C1 ZINC001033955340 1195556454 /nfs/dbraw/zinc/55/64/54/1195556454.db2.gz ZGAWRECQFPOJOM-XBFCOCLRSA-N 1 2 345.281 2.243 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2c(C)cc(F)cc2C)C1 ZINC001108113587 1195741645 /nfs/dbraw/zinc/74/16/45/1195741645.db2.gz OVVPOQMVYMKKLN-LJQANCHMSA-N 1 2 332.419 2.287 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2c(C)cc(F)cc2C)C1 ZINC001108113587 1195741649 /nfs/dbraw/zinc/74/16/49/1195741649.db2.gz OVVPOQMVYMKKLN-LJQANCHMSA-N 1 2 332.419 2.287 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC001034089112 1195752638 /nfs/dbraw/zinc/75/26/38/1195752638.db2.gz ZSRHAAZAKGKPES-CHWSQXEVSA-N 1 2 331.254 2.045 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC001034089112 1195752641 /nfs/dbraw/zinc/75/26/41/1195752641.db2.gz ZSRHAAZAKGKPES-CHWSQXEVSA-N 1 2 331.254 2.045 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCOc3ccccc32)C1 ZINC001108118627 1195855039 /nfs/dbraw/zinc/85/50/39/1195855039.db2.gz ZDOHIRCHCCPNFM-UZLBHIALSA-N 1 2 344.455 2.336 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCOc3ccccc32)C1 ZINC001108118627 1195855043 /nfs/dbraw/zinc/85/50/43/1195855043.db2.gz ZDOHIRCHCCPNFM-UZLBHIALSA-N 1 2 344.455 2.336 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ncc(C)o2)C1 ZINC001034211916 1195950144 /nfs/dbraw/zinc/95/01/44/1195950144.db2.gz DUUSDPCZCIXIRE-ZACQAIPSSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ncc(C)o2)C1 ZINC001034211916 1195950148 /nfs/dbraw/zinc/95/01/48/1195950148.db2.gz DUUSDPCZCIXIRE-ZACQAIPSSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cccc(C(=O)NC)c2)C1 ZINC001034531901 1196340231 /nfs/dbraw/zinc/34/02/31/1196340231.db2.gz NPIPZVDLWJDRIY-MRXNPFEDSA-N 1 2 349.862 2.383 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C(=O)NC)c2)C1 ZINC001034531901 1196340234 /nfs/dbraw/zinc/34/02/34/1196340234.db2.gz NPIPZVDLWJDRIY-MRXNPFEDSA-N 1 2 349.862 2.383 20 30 EEEDLO C[C@H](CNc1cccc(F)c1C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001108137479 1196504077 /nfs/dbraw/zinc/50/40/77/1196504077.db2.gz VIWOUZIZBNKBOJ-OLZOCXBDSA-N 1 2 329.379 2.462 20 30 EEEDLO N#Cc1cccnc1N1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001061773547 1196523745 /nfs/dbraw/zinc/52/37/45/1196523745.db2.gz FPRGJMRMBNYCJH-CYBMUJFWSA-N 1 2 346.394 2.086 20 30 EEEDLO CC1(C)CC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@@H]2O)C1 ZINC001090244183 1196565516 /nfs/dbraw/zinc/56/55/16/1196565516.db2.gz KSRVHHVWQKGGNT-ROUUACIJSA-N 1 2 341.455 2.046 20 30 EEEDLO CC1(C)CC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@@H]2O)C1 ZINC001090244183 1196565520 /nfs/dbraw/zinc/56/55/20/1196565520.db2.gz KSRVHHVWQKGGNT-ROUUACIJSA-N 1 2 341.455 2.046 20 30 EEEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)c(F)cc1F)CC2 ZINC001273279833 1197947770 /nfs/dbraw/zinc/94/77/70/1197947770.db2.gz PGKUTYYIISGHNG-CYBMUJFWSA-N 1 2 336.357 2.455 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Oc1cccc(C)c1 ZINC001018247333 1224523262 /nfs/dbraw/zinc/52/32/62/1224523262.db2.gz YBUNWORVSRWFRO-OKZBNKHCSA-N 1 2 326.440 2.461 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Oc1cccc(C)c1 ZINC001018247333 1224523267 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333.480 2.369 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cnnn2CC)C1 ZINC001132217910 1199456080 /nfs/dbraw/zinc/45/60/80/1199456080.db2.gz JAKYXMYTESHLGS-GJZGRUSLSA-N 1 2 333.480 2.369 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCc2ccco2)C1 ZINC001132217995 1199456152 /nfs/dbraw/zinc/45/61/52/1199456152.db2.gz KDUMCHRKDNFMJT-HUUCEWRRSA-N 1 2 347.459 2.077 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCc2ccco2)C1 ZINC001132217995 1199456155 /nfs/dbraw/zinc/45/61/55/1199456155.db2.gz KDUMCHRKDNFMJT-HUUCEWRRSA-N 1 2 347.459 2.077 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[NH2+]Cc1nc(Cc2ccccc2)no1 ZINC001134428231 1199554309 /nfs/dbraw/zinc/55/43/09/1199554309.db2.gz DOMVPBKXXBBQNO-UHFFFAOYSA-N 1 2 342.443 2.469 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(CF)CCOCC2)CC[C@H]1C ZINC001132309673 1199558998 /nfs/dbraw/zinc/55/89/98/1199558998.db2.gz BDDKVAGYYIFTLI-KGLIPLIRSA-N 1 2 332.847 2.474 20 30 EEEDLO 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ZINC001020264779 1229591814 /nfs/dbraw/zinc/59/18/14/1229591814.db2.gz IGVLEICZCAIXES-JYJNAYRXSA-N 1 2 344.459 2.296 20 30 EEEDLO O=C(NC[C@@H]1CCN1CC#Cc1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001038414301 1229797986 /nfs/dbraw/zinc/79/79/86/1229797986.db2.gz CBCRSDRPKVVRAI-SFHVURJKSA-N 1 2 344.418 2.419 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038529815 1229899322 /nfs/dbraw/zinc/89/93/22/1229899322.db2.gz ZSFBEMRCEDAHHI-OTWHNJEPSA-N 1 2 326.440 2.044 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038529815 1229899327 /nfs/dbraw/zinc/89/93/27/1229899327.db2.gz ZSFBEMRCEDAHHI-OTWHNJEPSA-N 1 2 326.440 2.044 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1oc(CCC)nc1C ZINC001038704034 1229986566 /nfs/dbraw/zinc/98/65/66/1229986566.db2.gz CLJMUTWPQOQRMX-XHSDSOJGSA-N 1 2 347.459 2.217 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1oc(CCC)nc1C ZINC001038704034 1229986567 /nfs/dbraw/zinc/98/65/67/1229986567.db2.gz CLJMUTWPQOQRMX-XHSDSOJGSA-N 1 2 347.459 2.217 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cn(C(C)C)nc1C ZINC001038714685 1229992007 /nfs/dbraw/zinc/99/20/07/1229992007.db2.gz SIMQHCHSMMZEQR-KSZLIROESA-N 1 2 346.475 2.054 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cn(C(C)C)nc1C ZINC001038714685 1229992011 /nfs/dbraw/zinc/99/20/11/1229992011.db2.gz SIMQHCHSMMZEQR-KSZLIROESA-N 1 2 346.475 2.054 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CC23CCC3)cc1C#N ZINC001038760974 1230030920 /nfs/dbraw/zinc/03/09/20/1230030920.db2.gz FGARGRKMGOKHAI-SJORKVTESA-N 1 2 339.439 2.448 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CC23CCC3)cc1C#N ZINC001038760974 1230030925 /nfs/dbraw/zinc/03/09/25/1230030925.db2.gz FGARGRKMGOKHAI-SJORKVTESA-N 1 2 339.439 2.448 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cnc(C)s1 ZINC001038798581 1230065155 /nfs/dbraw/zinc/06/51/55/1230065155.db2.gz RBHCBVVTRTYPQO-BPUTZDHNSA-N 1 2 335.473 2.123 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cnc(C)s1 ZINC001038798581 1230065160 /nfs/dbraw/zinc/06/51/60/1230065160.db2.gz RBHCBVVTRTYPQO-BPUTZDHNSA-N 1 2 335.473 2.123 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cn3ccccc3n2)c1 ZINC001038988806 1230217370 /nfs/dbraw/zinc/21/73/70/1230217370.db2.gz LRVSHSOBIOZMGR-KRWDZBQOSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cn3ccccc3n2)c1 ZINC001038988806 1230217375 /nfs/dbraw/zinc/21/73/75/1230217375.db2.gz LRVSHSOBIOZMGR-KRWDZBQOSA-N 1 2 345.406 2.210 20 30 EEEDLO Cc1nc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)c[nH]1 ZINC001039530323 1230679468 /nfs/dbraw/zinc/67/94/68/1230679468.db2.gz QOUYVDGDVOREET-HDICACEKSA-N 1 2 349.438 2.469 20 30 EEEDLO Cc1nc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)c[nH]1 ZINC001039530323 1230679470 /nfs/dbraw/zinc/67/94/70/1230679470.db2.gz QOUYVDGDVOREET-HDICACEKSA-N 1 2 349.438 2.469 20 30 EEEDLO CC(C)[C@@H](O)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001039567672 1230697514 /nfs/dbraw/zinc/69/75/14/1230697514.db2.gz FCSWKNAJHPZVDC-CEXWTWQISA-N 1 2 341.455 2.140 20 30 EEEDLO CC(C)[C@@H](O)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001039567672 1230697516 /nfs/dbraw/zinc/69/75/16/1230697516.db2.gz FCSWKNAJHPZVDC-CEXWTWQISA-N 1 2 341.455 2.140 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1CCCN(C)C1=O ZINC001039895982 1230894713 /nfs/dbraw/zinc/89/47/13/1230894713.db2.gz BJMXYSMUCQTHPE-AXVVYFOYSA-N 1 2 347.503 2.275 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1CCCN(C)C1=O ZINC001039895982 1230894716 /nfs/dbraw/zinc/89/47/16/1230894716.db2.gz BJMXYSMUCQTHPE-AXVVYFOYSA-N 1 2 347.503 2.275 20 30 EEEDLO CC(C)c1noc(C[N@@H+]2CCC[C@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC001040118790 1231035917 /nfs/dbraw/zinc/03/59/17/1231035917.db2.gz GNGMFJMDADFLDN-KSSFIOAISA-N 1 2 345.447 2.167 20 30 EEEDLO CC(C)c1noc(C[N@H+]2CCC[C@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC001040118790 1231035920 /nfs/dbraw/zinc/03/59/20/1231035920.db2.gz GNGMFJMDADFLDN-KSSFIOAISA-N 1 2 345.447 2.167 20 30 EEEDLO Cc1nc(NC[C@]2(C)CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)cc[nH+]1 ZINC001040322783 1231169701 /nfs/dbraw/zinc/16/97/01/1231169701.db2.gz AZJJZIYGDMLBIC-KZULUSFZSA-N 1 2 338.415 2.195 20 30 EEEDLO CN(C(=O)[C@H]1C[C@@H]1C(F)F)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001042668272 1232134185 /nfs/dbraw/zinc/13/41/85/1232134185.db2.gz MFTXEDXKIMDGNQ-HOTGVXAUSA-N 1 2 349.381 2.133 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)C[C@@H]2C)cc1 ZINC001067426384 1232348917 /nfs/dbraw/zinc/34/89/17/1232348917.db2.gz FWCUHNMZZICXGF-KSSFIOAISA-N 1 2 334.423 2.411 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](Cc3ccc(CO)cc3)C2)cc1 ZINC001043505314 1232465446 /nfs/dbraw/zinc/46/54/46/1232465446.db2.gz LDGNJYOTLVIMKU-UHFFFAOYSA-N 1 2 334.419 2.117 20 30 EEEDLO C=C1CCC(C(=O)N(C)C2C[NH+](CCn3nc(C)cc3C)C2)CC1 ZINC001043759838 1232568213 /nfs/dbraw/zinc/56/82/13/1232568213.db2.gz LDYPKYQUPZERAJ-UHFFFAOYSA-N 1 2 330.476 2.389 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](Cc3ccccc3N(C)C)C2)c1 ZINC001043821114 1232591883 /nfs/dbraw/zinc/59/18/83/1232591883.db2.gz BCVDVZDRVYQNSW-UHFFFAOYSA-N 1 2 348.450 2.085 20 30 EEEDLO CN(C(=O)[C@H]1CC12CCC2)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001043979277 1232648101 /nfs/dbraw/zinc/64/81/01/1232648101.db2.gz ACNJKZOEADYOPX-GOSISDBHSA-N 1 2 339.439 2.422 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001054846232 1249217080 /nfs/dbraw/zinc/21/70/80/1249217080.db2.gz MWZPKPNUMVBJGH-QAQDUYKDSA-N 1 2 346.475 2.278 20 30 EEEDLO CCN(CCCNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccncc1C#N ZINC001095973172 1232838903 /nfs/dbraw/zinc/83/89/03/1232838903.db2.gz QCIHCUUBDSBTHZ-HNNXBMFYSA-N 1 2 340.431 2.134 20 30 EEEDLO CCN(CCCNC(=O)C[C@H](C)n1cc[nH+]c1)c1ncccc1C#N ZINC001095973425 1232844233 /nfs/dbraw/zinc/84/42/33/1232844233.db2.gz XWGRJAQZUYEJQB-HNNXBMFYSA-N 1 2 340.431 2.134 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2ocnc2C)CC1 ZINC001045399718 1233720478 /nfs/dbraw/zinc/72/04/78/1233720478.db2.gz PPWBCQDBYSRCRY-UHFFFAOYSA-N 1 2 342.237 2.476 20 30 EEEDLO CC1(NC(=O)c2ccc(C#N)[nH]2)CC[NH+](Cc2cscn2)CC1 ZINC001045407191 1233726159 /nfs/dbraw/zinc/72/61/59/1233726159.db2.gz RUCBTKINKJXPPI-UHFFFAOYSA-N 1 2 329.429 2.127 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2Nc2cc[nH+]c(C)n2)nc1 ZINC001045537301 1233799273 /nfs/dbraw/zinc/79/92/73/1233799273.db2.gz FVEKJHDZGIFWDA-HZPDHXFCSA-N 1 2 335.411 2.314 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc(C2CC2)n1 ZINC001045735862 1233937850 /nfs/dbraw/zinc/93/78/50/1233937850.db2.gz SICRJRMVNYWPRV-WQVCFCJDSA-N 1 2 328.416 2.277 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc(C2CC2)n1 ZINC001045735862 1233937852 /nfs/dbraw/zinc/93/78/52/1233937852.db2.gz SICRJRMVNYWPRV-WQVCFCJDSA-N 1 2 328.416 2.277 20 30 EEEDLO Cc1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3cc(C#N)ccc3F)C2)no1 ZINC001046122946 1234466616 /nfs/dbraw/zinc/46/66/16/1234466616.db2.gz LKKQMFLJUZTAGN-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cc(C#N)ccc3F)C2)no1 ZINC001046122946 1234466617 /nfs/dbraw/zinc/46/66/17/1234466617.db2.gz LKKQMFLJUZTAGN-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C)nn2C)C1 ZINC001046927115 1235315789 /nfs/dbraw/zinc/31/57/89/1235315789.db2.gz YITNBXFQBDHNEY-LBPRGKRZSA-N 1 2 346.809 2.168 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C)nn2C)C1 ZINC001046927115 1235315790 /nfs/dbraw/zinc/31/57/90/1235315790.db2.gz YITNBXFQBDHNEY-LBPRGKRZSA-N 1 2 346.809 2.168 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCF)CCC1(F)F ZINC001046979768 1235385645 /nfs/dbraw/zinc/38/56/45/1235385645.db2.gz CYMPVYNGYNPMDP-ILXRZTDVSA-N 1 2 348.409 2.401 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCF)CCC1(F)F ZINC001046979768 1235385649 /nfs/dbraw/zinc/38/56/49/1235385649.db2.gz CYMPVYNGYNPMDP-ILXRZTDVSA-N 1 2 348.409 2.401 20 30 EEEDLO Cc1nc(N2CC[C@@H](NC(=O)C#CC(C)(C)C)C2)c2c([nH+]1)CCCC2 ZINC001096364289 1237703548 /nfs/dbraw/zinc/70/35/48/1237703548.db2.gz GRLYDJGVLLVGKN-OAHLLOKOSA-N 1 2 340.471 2.408 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)n1 ZINC001098008519 1238370088 /nfs/dbraw/zinc/37/00/88/1238370088.db2.gz WKJVJOIAKFTOFQ-ZACQAIPSSA-N 1 2 335.411 2.125 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)n1 ZINC001098008519 1238370100 /nfs/dbraw/zinc/37/01/00/1238370100.db2.gz WKJVJOIAKFTOFQ-ZACQAIPSSA-N 1 2 335.411 2.125 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](Nc4ncccc4C#N)C3)ccn12 ZINC001056707919 1239697823 /nfs/dbraw/zinc/69/78/23/1239697823.db2.gz DBCZEPZVYNKOAT-MRXNPFEDSA-N 1 2 346.394 2.236 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001056725102 1239733149 /nfs/dbraw/zinc/73/31/49/1239733149.db2.gz CEIICMQSXAPEIO-GOEBONIOSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC001000603839 1240578493 /nfs/dbraw/zinc/57/84/93/1240578493.db2.gz JKLQSDCRONSWCR-HNNXBMFYSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC001000685147 1240728237 /nfs/dbraw/zinc/72/82/37/1240728237.db2.gz FEDKUIOGCDAFDO-AWEZNQCLSA-N 1 2 334.851 2.330 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC001000685147 1240728244 /nfs/dbraw/zinc/72/82/44/1240728244.db2.gz FEDKUIOGCDAFDO-AWEZNQCLSA-N 1 2 334.851 2.330 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cn(C)nc2C2CC2)CC1 ZINC001000737352 1240824704 /nfs/dbraw/zinc/82/47/04/1240824704.db2.gz NECDQHCSFNAJBQ-UHFFFAOYSA-N 1 2 334.851 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cn(C)nc2C2CC2)CC1 ZINC001000737352 1240824710 /nfs/dbraw/zinc/82/47/10/1240824710.db2.gz NECDQHCSFNAJBQ-UHFFFAOYSA-N 1 2 334.851 2.412 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H](N(C)c3nc(C)[nH+]c(C)c3C)C2)cn1 ZINC001056943896 1240850918 /nfs/dbraw/zinc/85/09/18/1240850918.db2.gz JJLZKWATPZGQON-GOSISDBHSA-N 1 2 349.438 2.129 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CC23CCN(c2cc[nH+]c(C)n2)CC3)CCC1 ZINC001096524804 1240885490 /nfs/dbraw/zinc/88/54/90/1240885490.db2.gz CEYDRYNGMXPCTC-INIZCTEOSA-N 1 2 338.455 2.454 20 30 EEEDLO CCc1cnc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C#CC2CC2)o1 ZINC001049472683 1241053615 /nfs/dbraw/zinc/05/36/15/1241053615.db2.gz UYIQYCDMCQAEAZ-DLBZAZTESA-N 1 2 327.428 2.216 20 30 EEEDLO CCc1cnc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C#CC2CC2)o1 ZINC001049472683 1241053621 /nfs/dbraw/zinc/05/36/21/1241053621.db2.gz UYIQYCDMCQAEAZ-DLBZAZTESA-N 1 2 327.428 2.216 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@H]2CO[C@H](C)C2)CC1 ZINC001000861204 1241072862 /nfs/dbraw/zinc/07/28/62/1241072862.db2.gz JTIOJWHOGMONIN-TZMCWYRMSA-N 1 2 343.265 2.068 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@H]2CO[C@H](C)C2)CC1 ZINC001000861204 1241072869 /nfs/dbraw/zinc/07/28/69/1241072869.db2.gz JTIOJWHOGMONIN-TZMCWYRMSA-N 1 2 343.265 2.068 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cnc3c(c2)ncn3C)CC1 ZINC001001034530 1241489250 /nfs/dbraw/zinc/48/92/50/1241489250.db2.gz CINYDRCVMOXXOE-UHFFFAOYSA-N 1 2 345.834 2.083 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cnc3c(c2)ncn3C)CC1 ZINC001001034530 1241489257 /nfs/dbraw/zinc/48/92/57/1241489257.db2.gz CINYDRCVMOXXOE-UHFFFAOYSA-N 1 2 345.834 2.083 20 30 EEEDLO C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC001049583413 1241517539 /nfs/dbraw/zinc/51/75/39/1241517539.db2.gz VQTKSHJYHCDRMR-RBUKOAKNSA-N 1 2 334.423 2.389 20 30 EEEDLO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC001049583413 1241517545 /nfs/dbraw/zinc/51/75/45/1241517545.db2.gz VQTKSHJYHCDRMR-RBUKOAKNSA-N 1 2 334.423 2.389 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001067893847 1249908429 /nfs/dbraw/zinc/90/84/29/1249908429.db2.gz XSJRMHBNCXGNTK-UHFFFAOYSA-N 1 2 348.491 2.262 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccon1 ZINC001049777051 1242158945 /nfs/dbraw/zinc/15/89/45/1242158945.db2.gz GEVLFRJIEBPMDG-MHORFTMASA-N 1 2 345.443 2.221 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccon1 ZINC001049777051 1242158950 /nfs/dbraw/zinc/15/89/50/1242158950.db2.gz GEVLFRJIEBPMDG-MHORFTMASA-N 1 2 345.443 2.221 20 30 EEEDLO Cc1nc(N[C@H]2CCCCCN(C(=O)c3cc(C#N)c[nH]3)C2)cc[nH+]1 ZINC001049879806 1242514678 /nfs/dbraw/zinc/51/46/78/1242514678.db2.gz RRZDIPZPPGJNBP-HNNXBMFYSA-N 1 2 338.415 2.482 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2C(C)C)C1 ZINC001073674575 1242633334 /nfs/dbraw/zinc/63/33/34/1242633334.db2.gz HDTNHQSKGXKGEW-CYBMUJFWSA-N 1 2 340.855 2.106 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]nc2C(C)C)C1 ZINC001073674575 1242633337 /nfs/dbraw/zinc/63/33/37/1242633337.db2.gz HDTNHQSKGXKGEW-CYBMUJFWSA-N 1 2 340.855 2.106 20 30 EEEDLO CC(C)c1nnc(C[N@@H+]2C[C@@H]3CCCN(C(=O)C#CC4CC4)[C@@H]3C2)o1 ZINC001050045239 1242708252 /nfs/dbraw/zinc/70/82/52/1242708252.db2.gz YMRNAQUYDIMNNQ-JKSUJKDBSA-N 1 2 342.443 2.029 20 30 EEEDLO CC(C)c1nnc(C[N@H+]2C[C@@H]3CCCN(C(=O)C#CC4CC4)[C@@H]3C2)o1 ZINC001050045239 1242708261 /nfs/dbraw/zinc/70/82/61/1242708261.db2.gz YMRNAQUYDIMNNQ-JKSUJKDBSA-N 1 2 342.443 2.029 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001096971590 1243507315 /nfs/dbraw/zinc/50/73/15/1243507315.db2.gz DTNAVTSDCCUOBR-GJZGRUSLSA-N 1 2 343.475 2.080 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001096971590 1243507321 /nfs/dbraw/zinc/50/73/21/1243507321.db2.gz DTNAVTSDCCUOBR-GJZGRUSLSA-N 1 2 343.475 2.080 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001097089371 1243688222 /nfs/dbraw/zinc/68/82/22/1243688222.db2.gz VJBDCTPYRTWRHS-JOCQHMNTSA-N 1 2 327.363 2.043 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001097254352 1243877298 /nfs/dbraw/zinc/87/72/98/1243877298.db2.gz FBDLGZRYAMCNHW-TXEJJXNPSA-N 1 2 328.420 2.025 20 30 EEEDLO N#Cc1c(F)cccc1N1CCCC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001097437718 1244191565 /nfs/dbraw/zinc/19/15/65/1244191565.db2.gz QLKFPWDGERHYPT-CYBMUJFWSA-N 1 2 341.390 2.138 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnn1[C@@H](C)CC ZINC001050939802 1244671778 /nfs/dbraw/zinc/67/17/78/1244671778.db2.gz KBBDFLLCHAVFMH-HOTGVXAUSA-N 1 2 334.464 2.251 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnn1[C@@H](C)CC ZINC001050939802 1244671788 /nfs/dbraw/zinc/67/17/88/1244671788.db2.gz KBBDFLLCHAVFMH-HOTGVXAUSA-N 1 2 334.464 2.251 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnc(CCC)c1 ZINC001050964020 1244744543 /nfs/dbraw/zinc/74/45/43/1244744543.db2.gz QTYYSLCERQHKMS-GOSISDBHSA-N 1 2 331.460 2.431 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnc(CCC)c1 ZINC001050964020 1244744554 /nfs/dbraw/zinc/74/45/54/1244744554.db2.gz QTYYSLCERQHKMS-GOSISDBHSA-N 1 2 331.460 2.431 20 30 EEEDLO C=CCOc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CC2CC2)cc1 ZINC001050988694 1244792782 /nfs/dbraw/zinc/79/27/82/1244792782.db2.gz IPOBHXNXTJLHOU-QGZVFWFLSA-N 1 2 330.428 2.092 20 30 EEEDLO C=CCOc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CC2CC2)cc1 ZINC001050988694 1244792784 /nfs/dbraw/zinc/79/27/84/1244792784.db2.gz IPOBHXNXTJLHOU-QGZVFWFLSA-N 1 2 330.428 2.092 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001051035996 1244888648 /nfs/dbraw/zinc/88/86/48/1244888648.db2.gz YQYDZHOUGXUMSY-ZBFHGGJFSA-N 1 2 330.428 2.017 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001051035996 1244888658 /nfs/dbraw/zinc/88/86/58/1244888658.db2.gz YQYDZHOUGXUMSY-ZBFHGGJFSA-N 1 2 330.428 2.017 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001051141842 1245036951 /nfs/dbraw/zinc/03/69/51/1245036951.db2.gz QQANWMKFKHPWBF-INIZCTEOSA-N 1 2 340.427 2.083 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001051141842 1245036959 /nfs/dbraw/zinc/03/69/59/1245036959.db2.gz QQANWMKFKHPWBF-INIZCTEOSA-N 1 2 340.427 2.083 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)[C@H]3CCOC3)cccc2C1 ZINC001051282537 1245474384 /nfs/dbraw/zinc/47/43/84/1245474384.db2.gz UGKYVGQFBQPCHW-INIZCTEOSA-N 1 2 334.847 2.450 20 30 EEEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)[C@H]3CCOC3)cccc2C1 ZINC001051282537 1245474385 /nfs/dbraw/zinc/47/43/85/1245474385.db2.gz UGKYVGQFBQPCHW-INIZCTEOSA-N 1 2 334.847 2.450 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101167596 1245475279 /nfs/dbraw/zinc/47/52/79/1245475279.db2.gz KYUVLQKGDKXNFJ-KUHUBIRLSA-N 1 2 345.491 2.349 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101167596 1245475284 /nfs/dbraw/zinc/47/52/84/1245475284.db2.gz KYUVLQKGDKXNFJ-KUHUBIRLSA-N 1 2 345.491 2.349 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C(C)C)no3)C[C@@]2(C)C1 ZINC001101167621 1245475490 /nfs/dbraw/zinc/47/54/90/1245475490.db2.gz MBYNFYWKAQLKQR-KDOFPFPSSA-N 1 2 332.448 2.440 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@H+](Cc3nc(C(C)C)no3)C[C@@]2(C)C1 ZINC001101167621 1245475493 /nfs/dbraw/zinc/47/54/93/1245475493.db2.gz MBYNFYWKAQLKQR-KDOFPFPSSA-N 1 2 332.448 2.440 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCCN(CCC)c1[nH+]cnc2c1cnn2C ZINC001101222195 1245536180 /nfs/dbraw/zinc/53/61/80/1245536180.db2.gz BEMPQVOVVXLSNG-AWEZNQCLSA-N 1 2 344.463 2.298 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001051322852 1245543737 /nfs/dbraw/zinc/54/37/37/1245543737.db2.gz IWPSYNMATXYTRJ-CABCVRRESA-N 1 2 346.475 2.298 20 30 EEEDLO Cc1nc(N(C)C[C@@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001051324174 1245546015 /nfs/dbraw/zinc/54/60/15/1245546015.db2.gz CAXTXTVKNSTVKA-INIZCTEOSA-N 1 2 338.415 2.116 20 30 EEEDLO CCCN(CCNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(C#N)cn1 ZINC001101246808 1245567208 /nfs/dbraw/zinc/56/72/08/1245567208.db2.gz GGPGXVWFMNLDQB-HNNXBMFYSA-N 1 2 340.431 2.134 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)CCc1cccs1)c1nccn12 ZINC001101650880 1246083325 /nfs/dbraw/zinc/08/33/25/1246083325.db2.gz DXQHNWLZPJFTJU-HNNXBMFYSA-N 1 2 342.468 2.335 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC3(F)F)C2)CC1 ZINC001052040370 1246410050 /nfs/dbraw/zinc/41/00/50/1246410050.db2.gz DXFNKERITWWTSC-UONOGXRCSA-N 1 2 347.837 2.003 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(F)cc(C)cc3F)C2)CC1 ZINC001052048881 1246420153 /nfs/dbraw/zinc/42/01/53/1246420153.db2.gz FJQVQRLNCFDOSL-HNNXBMFYSA-N 1 2 349.425 2.291 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C[C@@H](F)CC)CC2)C1 ZINC001052062464 1246433063 /nfs/dbraw/zinc/43/30/63/1246433063.db2.gz KCAKWKPBLHVIQX-HOTGVXAUSA-N 1 2 325.472 2.165 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](N2CC[NH+](C[C@@H](F)CC)CC2)C1 ZINC001052062464 1246433068 /nfs/dbraw/zinc/43/30/68/1246433068.db2.gz KCAKWKPBLHVIQX-HOTGVXAUSA-N 1 2 325.472 2.165 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1Oc3ccccc3[C@H]1C)CCO2 ZINC001053550828 1246463295 /nfs/dbraw/zinc/46/32/95/1246463295.db2.gz BCUYRVBHCUAFOF-CRAIPNDOSA-N 1 2 342.439 2.040 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3CC)C2)CC1 ZINC001052087694 1246468087 /nfs/dbraw/zinc/46/80/87/1246468087.db2.gz ACFGWIRDHOGECF-OWCLPIDISA-N 1 2 325.884 2.004 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)CC3CCCC3)C2)CC1 ZINC001052093589 1246472240 /nfs/dbraw/zinc/47/22/40/1246472240.db2.gz NWZWHSRAWXRCIZ-UYAOXDASSA-N 1 2 345.531 2.445 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc3occc3[nH]1)O2 ZINC001053605747 1246521986 /nfs/dbraw/zinc/52/19/86/1246521986.db2.gz BYJOXWQRAONMFS-CYBMUJFWSA-N 1 2 329.400 2.300 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C(F)F)nc1)O2 ZINC001053607573 1246524837 /nfs/dbraw/zinc/52/48/37/1246524837.db2.gz ZUUVMRGLMPVRJS-CYBMUJFWSA-N 1 2 337.370 2.168 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C)ccc1OC)O2 ZINC001053626673 1246553888 /nfs/dbraw/zinc/55/38/88/1246553888.db2.gz CCSFDXOLGKZGCR-OAHLLOKOSA-N 1 2 330.428 2.153 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccncc1Cl)O2 ZINC001053667622 1246615061 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/nfs/dbraw/zinc/80/79/14/1315807914.db2.gz XEBJYQSCRWPGGW-YJBOKZPZSA-N 1 2 349.427 2.144 20 30 EEEDLO C=CCOc1ccc(C(=O)O[C@H](COC)C[N@H+]2CCO[C@@H](C)C2)cc1 ZINC000842968960 1315807918 /nfs/dbraw/zinc/80/79/18/1315807918.db2.gz XEBJYQSCRWPGGW-YJBOKZPZSA-N 1 2 349.427 2.144 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C)C(F)(F)F)C1 ZINC001150109343 1316160436 /nfs/dbraw/zinc/16/04/36/1316160436.db2.gz OHCOMQPUSZBXMW-GHMZBOCLSA-N 1 2 328.762 2.144 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C)C(F)(F)F)C1 ZINC001150109343 1316160440 /nfs/dbraw/zinc/16/04/40/1316160440.db2.gz OHCOMQPUSZBXMW-GHMZBOCLSA-N 1 2 328.762 2.144 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2cnc(C)cn2)CCCO1 ZINC001150372891 1316247394 /nfs/dbraw/zinc/24/73/94/1316247394.db2.gz SPGYEGTWMJAHGB-QGZVFWFLSA-N 1 2 346.475 2.094 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2cnc(C)cn2)CCCO1 ZINC001150372891 1316247397 /nfs/dbraw/zinc/24/73/97/1316247397.db2.gz SPGYEGTWMJAHGB-QGZVFWFLSA-N 1 2 346.475 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C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1coc(C2CC2)n1 ZINC001155325983 1317552821 /nfs/dbraw/zinc/55/28/21/1317552821.db2.gz ONVNMGCWRGWPEB-XYPHTWIQSA-N 1 2 347.459 2.470 20 30 EEEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1CCc2c(nnn2C)[C@@H]1COC ZINC001253237854 1317804956 /nfs/dbraw/zinc/80/49/56/1317804956.db2.gz NPHDMDGUULFBOP-WBVHZDCISA-N 1 2 336.480 2.248 20 30 EEEDLO C=CCCCCCC[C@@H](O)C[N@H+]1CCc2c(nnn2C)[C@@H]1COC ZINC001253237854 1317804963 /nfs/dbraw/zinc/80/49/63/1317804963.db2.gz NPHDMDGUULFBOP-WBVHZDCISA-N 1 2 336.480 2.248 20 30 EEEDLO COC(=O)[C@@H]1C[C@H](Nc2nc3ccc(C)cc3c(Cl)c2C#N)C[NH2+]1 ZINC001156250916 1317937555 /nfs/dbraw/zinc/93/75/55/1317937555.db2.gz MBMMFHVWFPKBEO-HZMBPMFUSA-N 1 2 344.802 2.384 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[N@H+](CC)Cc2ncc(C)s2)nc1 ZINC001156460668 1318021159 /nfs/dbraw/zinc/02/11/59/1318021159.db2.gz QYGWXJQZRYRTFX-CYBMUJFWSA-N 1 2 342.468 2.468 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ncc(C)s2)nc1 ZINC001156460668 1318021165 /nfs/dbraw/zinc/02/11/65/1318021165.db2.gz QYGWXJQZRYRTFX-CYBMUJFWSA-N 1 2 342.468 2.468 20 30 EEEDLO CC[C@@H](CC#N)[N@@H+]1C[C@@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001255167801 1318307775 /nfs/dbraw/zinc/30/77/75/1318307775.db2.gz HZLXKKYNXGYWLR-MANSERQUSA-N 1 2 328.460 2.437 20 30 EEEDLO CC[C@@H](CC#N)[N@H+]1C[C@@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001255167801 1318307788 /nfs/dbraw/zinc/30/77/88/1318307788.db2.gz HZLXKKYNXGYWLR-MANSERQUSA-N 1 2 328.460 2.437 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cscn1 ZINC001157876229 1318913035 /nfs/dbraw/zinc/91/30/35/1318913035.db2.gz LUQSMNKBLNBAOC-NVXWUHKLSA-N 1 2 337.489 2.283 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cscn1 ZINC001157876229 1318913036 /nfs/dbraw/zinc/91/30/36/1318913036.db2.gz LUQSMNKBLNBAOC-NVXWUHKLSA-N 1 2 337.489 2.283 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nccs1 ZINC001157876737 1318913079 /nfs/dbraw/zinc/91/30/79/1318913079.db2.gz XMWLNSFAJHQWJE-RHSMWYFYSA-N 1 2 337.489 2.283 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nccs1 ZINC001157876737 1318913081 /nfs/dbraw/zinc/91/30/81/1318913081.db2.gz XMWLNSFAJHQWJE-RHSMWYFYSA-N 1 2 337.489 2.283 20 30 EEEDLO CCOC(=O)CCC[C@@H](C)[NH2+][C@H](Cc1ccc(C#N)cc1)C(=O)OC ZINC001258117920 1319176876 /nfs/dbraw/zinc/17/68/76/1319176876.db2.gz RPIZDYWMELJSKF-RHSMWYFYSA-N 1 2 346.427 2.354 20 30 EEEDLO C=CCOC(=O)N[C@H]1CCCN(c2cc(N(CC)CC)[nH+]cn2)C1 ZINC001158911158 1319503438 /nfs/dbraw/zinc/50/34/38/1319503438.db2.gz KNIHSPGFKIQEEM-AWEZNQCLSA-N 1 2 333.436 2.204 20 30 EEEDLO C=CCOC(=O)N[C@H]1CCCN(c2cc(N(CC)CC)nc[nH+]2)C1 ZINC001158911158 1319503444 /nfs/dbraw/zinc/50/34/44/1319503444.db2.gz KNIHSPGFKIQEEM-AWEZNQCLSA-N 1 2 333.436 2.204 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnnn2C)CC1 ZINC001160967490 1320335543 /nfs/dbraw/zinc/33/55/43/1320335543.db2.gz JDEWHIUXLGSMLL-GJZGRUSLSA-N 1 2 346.479 2.012 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnnn2C)CC1 ZINC001160967490 1320335548 /nfs/dbraw/zinc/33/55/48/1320335548.db2.gz JDEWHIUXLGSMLL-GJZGRUSLSA-N 1 2 346.479 2.012 20 30 EEEDLO C=C1CC(C)(C(=O)NCCC2=CC[N@H+](Cc3nonc3C)CC2)C1 ZINC001161178012 1320410344 /nfs/dbraw/zinc/41/03/44/1320410344.db2.gz IVURIBSGSOHPNS-UHFFFAOYSA-N 1 2 330.432 2.373 20 30 EEEDLO C=C1CC(C)(C(=O)NCCC2=CC[N@@H+](Cc3nonc3C)CC2)C1 ZINC001161178012 1320410346 /nfs/dbraw/zinc/41/03/46/1320410346.db2.gz IVURIBSGSOHPNS-UHFFFAOYSA-N 1 2 330.432 2.373 20 30 EEEDLO N#CCNCCN(CCc1ccccc1)C(=O)c1cccc2[nH+]ccn21 ZINC001162860004 1320977372 /nfs/dbraw/zinc/97/73/72/1320977372.db2.gz QXMZUSWHRSYSSM-UHFFFAOYSA-N 1 2 347.422 2.132 20 30 EEEDLO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[NH2+]C[C@H]1C#N ZINC001164627715 1321437439 /nfs/dbraw/zinc/43/74/39/1321437439.db2.gz WMORJTMYGMCNGZ-SSDOTTSWSA-N 1 2 332.141 2.107 20 30 EEEDLO N#Cc1c(F)ccnc1N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001165690496 1321566699 /nfs/dbraw/zinc/56/66/99/1321566699.db2.gz KLJOUXLDECNQQP-AWEZNQCLSA-N 1 2 341.390 2.352 20 30 EEEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cnc3ccccn13)CC2 ZINC001203148188 1321845657 /nfs/dbraw/zinc/84/56/57/1321845657.db2.gz IDKCGIKQBREBIF-UHFFFAOYSA-N 1 2 337.427 2.329 20 30 EEEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cnc3ccccn13)CC2 ZINC001203148188 1321845666 /nfs/dbraw/zinc/84/56/66/1321845666.db2.gz IDKCGIKQBREBIF-UHFFFAOYSA-N 1 2 337.427 2.329 20 30 EEEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@H]1CCSC1 ZINC001263287970 1322453011 /nfs/dbraw/zinc/45/30/11/1322453011.db2.gz ACUYYLKVWVFENG-ZDUSSCGKSA-N 1 2 332.477 2.120 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC[N@H+](Cc2cncc(OC)n2)C1 ZINC001265224574 1322995177 /nfs/dbraw/zinc/99/51/77/1322995177.db2.gz GENMKUAYTKRMOO-KDOFPFPSSA-N 1 2 332.448 2.168 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC[N@@H+](Cc2cncc(OC)n2)C1 ZINC001265224574 1322995179 /nfs/dbraw/zinc/99/51/79/1322995179.db2.gz GENMKUAYTKRMOO-KDOFPFPSSA-N 1 2 332.448 2.168 20 30 EEEDLO 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ZINC001276494722 1323609267 /nfs/dbraw/zinc/60/92/67/1323609267.db2.gz YDOWQAYVKBYROC-HKUYNNGSSA-N 1 2 327.428 2.091 20 30 EEEDLO N#Cc1ccc(CN2C[C@@H]3OCC[N@@H+](C4CCCC4)[C@H]3C2)c(O)c1 ZINC001276494722 1323609275 /nfs/dbraw/zinc/60/92/75/1323609275.db2.gz YDOWQAYVKBYROC-HKUYNNGSSA-N 1 2 327.428 2.091 20 30 EEEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2nccs2)C[C@H]1C)OCC ZINC001207254863 1323915753 /nfs/dbraw/zinc/91/57/53/1323915753.db2.gz BUKRNRUPUYBNBQ-KFWWJZLASA-N 1 2 337.489 2.451 20 30 EEEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]1C)OCC ZINC001207254863 1323915755 /nfs/dbraw/zinc/91/57/55/1323915755.db2.gz BUKRNRUPUYBNBQ-KFWWJZLASA-N 1 2 337.489 2.451 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2nc(C)c(C)o2)C[C@H]1C ZINC001208129490 1324328580 /nfs/dbraw/zinc/32/85/80/1324328580.db2.gz WOQHKRPNMTXXBH-VVFCZOMOSA-N 1 2 349.475 2.457 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)c(C)o2)C[C@H]1C ZINC001208129490 1324328585 /nfs/dbraw/zinc/32/85/85/1324328585.db2.gz WOQHKRPNMTXXBH-VVFCZOMOSA-N 1 2 349.475 2.457 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2nccs2)C[C@H]1C ZINC001208129434 1324329599 /nfs/dbraw/zinc/32/95/99/1324329599.db2.gz VQPAUJORACHJPU-CPUCHLNUSA-N 1 2 337.489 2.308 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]1C ZINC001208129434 1324329606 /nfs/dbraw/zinc/32/96/06/1324329606.db2.gz VQPAUJORACHJPU-CPUCHLNUSA-N 1 2 337.489 2.308 20 30 EEEDLO C#CCC1(C(=O)N2CCC[C@H]([NH2+][C@@H](C)c3nc(C)no3)C2)CCC1 ZINC001208322379 1324425955 /nfs/dbraw/zinc/42/59/55/1324425955.db2.gz XFUSCJFQKIVAEC-ZFWWWQNUSA-N 1 2 330.432 2.213 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc(CC)no2)C[C@H]1C ZINC001208376780 1324460554 /nfs/dbraw/zinc/46/05/54/1324460554.db2.gz SJSFFZOZYRUINT-QLFBSQMISA-N 1 2 332.448 2.323 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc(CC)no2)C[C@H]1C ZINC001208376780 1324460557 /nfs/dbraw/zinc/46/05/57/1324460557.db2.gz SJSFFZOZYRUINT-QLFBSQMISA-N 1 2 332.448 2.323 20 30 EEEDLO C#CCN1CC2(C[NH+](Cc3cccc(-c4ccccc4)c3)C2)OCC1=O ZINC001276629950 1324883018 /nfs/dbraw/zinc/88/30/18/1324883018.db2.gz HFKJETDUSHIGDD-UHFFFAOYSA-N 1 2 346.430 2.400 20 30 EEEDLO C=CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]2C)CCCCC1 ZINC001209407083 1324925285 /nfs/dbraw/zinc/92/52/85/1324925285.db2.gz ZGFJOZLJYJIAFG-NVXWUHKLSA-N 1 2 345.491 2.278 20 30 EEEDLO C=CC1(CC(=O)N[C@@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]2C)CCCCC1 ZINC001209407083 1324925288 /nfs/dbraw/zinc/92/52/88/1324925288.db2.gz ZGFJOZLJYJIAFG-NVXWUHKLSA-N 1 2 345.491 2.278 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC001316939306 1332003196 /nfs/dbraw/zinc/00/31/96/1332003196.db2.gz GLMQSCSFJWQSTP-SJLPKXTDSA-N 1 2 341.455 2.339 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC001316939306 1332003198 /nfs/dbraw/zinc/00/31/98/1332003198.db2.gz GLMQSCSFJWQSTP-SJLPKXTDSA-N 1 2 341.455 2.339 20 30 EEEDLO CCCCCCCNC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001331607649 1335044619 /nfs/dbraw/zinc/04/46/19/1335044619.db2.gz UZAIXKIJWAUOLF-INIZCTEOSA-N 1 2 348.491 2.288 20 30 EEEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC=CCC1 ZINC001340491354 1337194941 /nfs/dbraw/zinc/19/49/41/1337194941.db2.gz HDEMZMPLRYQWSL-UHFFFAOYSA-N 1 2 326.448 2.323 20 30 EEEDLO CCC(CC)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001100054352 1337956885 /nfs/dbraw/zinc/95/68/85/1337956885.db2.gz VNPLSCAILSJNML-MOPGFXCFSA-N 1 2 343.471 2.436 20 30 EEEDLO CCC(CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001100054352 1337956886 /nfs/dbraw/zinc/95/68/86/1337956886.db2.gz VNPLSCAILSJNML-MOPGFXCFSA-N 1 2 343.471 2.436 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC(C)(C)C(F)(F)F)[C@@H](O)C1 ZINC001100090451 1338004124 /nfs/dbraw/zinc/00/41/24/1338004124.db2.gz UQWFUTHDENOGDI-QWRGUYRKSA-N 1 2 342.789 2.269 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C(F)(F)F)[C@@H](O)C1 ZINC001100090451 1338004129 /nfs/dbraw/zinc/00/41/29/1338004129.db2.gz UQWFUTHDENOGDI-QWRGUYRKSA-N 1 2 342.789 2.269 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)Cc1ccccn1 ZINC001355942240 1338771251 /nfs/dbraw/zinc/77/12/51/1338771251.db2.gz RLJQGMZRYLXAGQ-UHFFFAOYSA-N 1 2 326.448 2.481 20 30 EEEDLO N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@@H]([NH3+])c1c(F)cccc1F)C2 ZINC001580072410 1344465059 /nfs/dbraw/zinc/46/50/59/1344465059.db2.gz QXQIFVWGKAFTKT-GUYCJALGSA-N 1 2 327.334 2.120 20 30 EEEDLO N#Cc1ccc2nc(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)[nH]c2c1 ZINC001587347451 1348860008 /nfs/dbraw/zinc/86/00/08/1348860008.db2.gz MMWJRIRZSKSZJN-UHFFFAOYSA-N 1 2 329.323 2.268 20 30 EEEDLO CC(=[NH+]Nc1ccc(-c2nn[nH]n2)cc1)c1cc([N+](=O)[O-])ccc1N ZINC001602908080 1350604011 /nfs/dbraw/zinc/60/40/11/1350604011.db2.gz INRWTFATLQAVBZ-UHFFFAOYSA-N 1 2 338.331 2.193 20 30 EEEDLO CC1(C)C[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC001647564780 1353328260 /nfs/dbraw/zinc/32/82/60/1353328260.db2.gz KCBZYOOHBHQQKV-GOSISDBHSA-N 1 2 341.455 2.408 20 30 EEEDLO COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)C#CC(C)(C)C)C2)n1 ZINC001664993396 1355260201 /nfs/dbraw/zinc/26/02/01/1355260201.db2.gz CZBUGLGLGSNLGT-OAHLLOKOSA-N 1 2 329.444 2.220 20 30 EEEDLO COc1cccc(C[N@H+]2CCC[C@@H](NC(=O)C#CC(C)(C)C)C2)n1 ZINC001664993396 1355260204 /nfs/dbraw/zinc/26/02/04/1355260204.db2.gz CZBUGLGLGSNLGT-OAHLLOKOSA-N 1 2 329.444 2.220 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)CCOC)C1 ZINC001193180308 1368446932 /nfs/dbraw/zinc/44/69/32/1368446932.db2.gz JVSBCUYKLFNMCB-CYBMUJFWSA-N 1 2 347.297 2.490 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)CCOC)C1 ZINC001193180308 1368446937 /nfs/dbraw/zinc/44/69/37/1368446937.db2.gz JVSBCUYKLFNMCB-CYBMUJFWSA-N 1 2 347.297 2.490 20 30 EEEDLO CCCC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)CCC1 ZINC001195500957 1368546379 /nfs/dbraw/zinc/54/63/79/1368546379.db2.gz FYADRRNUIYREIN-RTBURBONSA-N 1 2 340.467 2.170 20 30 EEEDLO CCCC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)CCC1 ZINC001195500957 1368546386 /nfs/dbraw/zinc/54/63/86/1368546386.db2.gz FYADRRNUIYREIN-RTBURBONSA-N 1 2 340.467 2.170 20 30 EEEDLO CCO[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1)C1CC1 ZINC001195879953 1368576736 /nfs/dbraw/zinc/57/67/36/1368576736.db2.gz MMLSUONXBKZKHY-LJQANCHMSA-N 1 2 341.455 2.408 20 30 EEEDLO CCO[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1)C1CC1 ZINC001195879953 1368576739 /nfs/dbraw/zinc/57/67/39/1368576739.db2.gz MMLSUONXBKZKHY-LJQANCHMSA-N 1 2 341.455 2.408 20 30 EEEDLO C=CC[N@H+](CN1C(=O)C[C@@](C)(c2ccc(C)cc2)C1=O)[C@@H](C)COC ZINC000853533952 1369347096 /nfs/dbraw/zinc/34/70/96/1369347096.db2.gz FJXOCDPIDYPUCS-JXFKEZNVSA-N 1 2 344.455 2.492 20 30 EEEDLO C=CC[N@@H+](CN1C(=O)C[C@@](C)(c2ccc(C)cc2)C1=O)[C@@H](C)COC ZINC000853533952 1369347103 /nfs/dbraw/zinc/34/71/03/1369347103.db2.gz FJXOCDPIDYPUCS-JXFKEZNVSA-N 1 2 344.455 2.492 20 30 EEEDLO C=CC[N@H+](CN1C(=O)C[C@@](C)(c2ccc(F)cc2)C1=O)[C@@H](C)COC ZINC000853533890 1369347215 /nfs/dbraw/zinc/34/72/15/1369347215.db2.gz CUSMCSBQHCKSDW-LIRRHRJNSA-N 1 2 348.418 2.323 20 30 EEEDLO C=CC[N@@H+](CN1C(=O)C[C@@](C)(c2ccc(F)cc2)C1=O)[C@@H](C)COC ZINC000853533890 1369347220 /nfs/dbraw/zinc/34/72/20/1369347220.db2.gz CUSMCSBQHCKSDW-LIRRHRJNSA-N 1 2 348.418 2.323 20 30 EEEDLO Cc1cnc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3ccccc3C#N)C2)cn1 ZINC001071324655 1370480782 /nfs/dbraw/zinc/48/07/82/1370480782.db2.gz OIAPPTVZMNHTNM-YJBOKZPZSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1cnc(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3ccccc3C#N)C2)cn1 ZINC001071324655 1370480787 /nfs/dbraw/zinc/48/07/87/1370480787.db2.gz OIAPPTVZMNHTNM-YJBOKZPZSA-N 1 2 349.438 2.440 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2cocn2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001071388615 1370496806 /nfs/dbraw/zinc/49/68/06/1370496806.db2.gz JLNKGNCIJLUNFN-SWLSCSKDSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2cocn2)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001071388615 1370496815 /nfs/dbraw/zinc/49/68/15/1370496815.db2.gz JLNKGNCIJLUNFN-SWLSCSKDSA-N 1 2 342.374 2.468 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC001073477140 1370861355 /nfs/dbraw/zinc/86/13/55/1370861355.db2.gz CZALJTXEZXPPHA-HNNXBMFYSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncc(C)o1)C2 ZINC001111643012 1371195526 /nfs/dbraw/zinc/19/55/26/1371195526.db2.gz UWHKXGPTPAKZDT-BXWFABGCSA-N 1 2 347.459 2.435 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(C)o1)C2 ZINC001111643012 1371195531 /nfs/dbraw/zinc/19/55/31/1371195531.db2.gz UWHKXGPTPAKZDT-BXWFABGCSA-N 1 2 347.459 2.435 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)Nc1nccs1)C2 ZINC001111648882 1371198930 /nfs/dbraw/zinc/19/89/30/1371198930.db2.gz SVLVLXCJHCKBRE-GUYCJALGSA-N 1 2 348.472 2.019 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1nccs1)C2 ZINC001111648882 1371198934 /nfs/dbraw/zinc/19/89/34/1371198934.db2.gz SVLVLXCJHCKBRE-GUYCJALGSA-N 1 2 348.472 2.019 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1nc(COC)no1)C2 ZINC001111650589 1371201166 /nfs/dbraw/zinc/20/11/66/1371201166.db2.gz XUXMVLCFWPZKSD-GLJUWKHASA-N 1 2 348.447 2.214 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1nc(COC)no1)C2 ZINC001111650589 1371201173 /nfs/dbraw/zinc/20/11/73/1371201173.db2.gz XUXMVLCFWPZKSD-GLJUWKHASA-N 1 2 348.447 2.214 20 30 EEEDLO C[C@H](CCCNc1ccc(C#N)cn1)NC(=O)CCc1c[nH+]cn1C ZINC001114977149 1371467353 /nfs/dbraw/zinc/46/73/53/1371467353.db2.gz SXFDVEYITFRZEM-CQSZACIVSA-N 1 2 340.431 2.016 20 30 EEEDLO Cc1nc(NCCC[C@H](C)NC(=O)CCn2cc[nH+]c2)ccc1C#N ZINC001115037757 1371495872 /nfs/dbraw/zinc/49/58/72/1371495872.db2.gz ZLSVAQAUUYMNPP-AWEZNQCLSA-N 1 2 340.431 2.245 20 30 EEEDLO C#CCC[C@@H](O)CNc1c(C(=O)OCC)c[nH+]c2ccc(OC)cc21 ZINC000798422004 1371585279 /nfs/dbraw/zinc/58/52/79/1371585279.db2.gz YXUAIRPWVSPQHO-CYBMUJFWSA-N 1 2 342.395 2.028 20 30 EEEDLO C=CCOCC(=O)N1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001123212972 1372108662 /nfs/dbraw/zinc/10/86/62/1372108662.db2.gz ITZUTCXXPDFGMA-UKRRQHHQSA-N 1 2 330.432 2.266 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCCN(c2[nH+]cnc3c2cnn3C)[C@@H]1C ZINC001123637454 1372165130 /nfs/dbraw/zinc/16/51/30/1372165130.db2.gz UBEBNSZRZMMEOU-HIFRSBDPSA-N 1 2 342.447 2.193 20 30 EEEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(N3CCCCC3)nc2)CC1 ZINC001139348414 1372498341 /nfs/dbraw/zinc/49/83/41/1372498341.db2.gz QQDQBNPHMOEWEM-UHFFFAOYSA-N 1 2 342.443 2.351 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C#CC1CC1 ZINC000837393521 1372784642 /nfs/dbraw/zinc/78/46/42/1372784642.db2.gz RUNXOJAKFDXQPL-QGZVFWFLSA-N 1 2 326.440 2.149 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(CCCCO)C1CC1 ZINC001341901684 1372936981 /nfs/dbraw/zinc/93/69/81/1372936981.db2.gz DDPYOSWYNYMIKL-MRXNPFEDSA-N 1 2 333.480 2.362 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(CCCCO)C1CC1 ZINC001341901684 1372936987 /nfs/dbraw/zinc/93/69/87/1372936987.db2.gz DDPYOSWYNYMIKL-MRXNPFEDSA-N 1 2 333.480 2.362 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cc(OC)n(C)n2)C1 ZINC001366812272 1374030413 /nfs/dbraw/zinc/03/04/13/1374030413.db2.gz UHRCSZHOPCXKKA-ZDUSSCGKSA-N 1 2 340.855 2.108 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc(OC)n(C)n2)C1 ZINC001366812272 1374030415 /nfs/dbraw/zinc/03/04/15/1374030415.db2.gz UHRCSZHOPCXKKA-ZDUSSCGKSA-N 1 2 340.855 2.108 20 30 EEEDLO C[N@H+](CCNC(=O)c1cc(C2CC2)n[nH]1)Cc1cc(C#N)ccc1F ZINC001372123581 1375787429 /nfs/dbraw/zinc/78/74/29/1375787429.db2.gz MSOZIVRAPPVATQ-UHFFFAOYSA-N 1 2 341.390 2.160 20 30 EEEDLO C[N@@H+](CCNC(=O)c1cc(C2CC2)n[nH]1)Cc1cc(C#N)ccc1F ZINC001372123581 1375787432 /nfs/dbraw/zinc/78/74/32/1375787432.db2.gz MSOZIVRAPPVATQ-UHFFFAOYSA-N 1 2 341.390 2.160 20 30 EEEDLO COCC1(C(=O)NCC[N@H+](Cc2ccc(C#N)cc2F)C2CC2)CC1 ZINC001372832541 1376234929 /nfs/dbraw/zinc/23/49/29/1376234929.db2.gz VGIZVDGAPAHMOY-UHFFFAOYSA-N 1 2 345.418 2.205 20 30 EEEDLO COCC1(C(=O)NCC[N@@H+](Cc2ccc(C#N)cc2F)C2CC2)CC1 ZINC001372832541 1376234934 /nfs/dbraw/zinc/23/49/34/1376234934.db2.gz VGIZVDGAPAHMOY-UHFFFAOYSA-N 1 2 345.418 2.205 20 30 EEEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001374471631 1376848752 /nfs/dbraw/zinc/84/87/52/1376848752.db2.gz OCUBPHMIUZKMAS-KGLIPLIRSA-N 1 2 348.422 2.011 20 30 EEEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001374471631 1376848754 /nfs/dbraw/zinc/84/87/54/1376848754.db2.gz OCUBPHMIUZKMAS-KGLIPLIRSA-N 1 2 348.422 2.011 20 30 EEEDLO COCCC1(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001375316720 1377613551 /nfs/dbraw/zinc/61/35/51/1377613551.db2.gz SNEZLGSKCCPMQE-CYBMUJFWSA-N 1 2 333.457 2.127 20 30 EEEDLO COCCC1(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001375316720 1377613552 /nfs/dbraw/zinc/61/35/52/1377613552.db2.gz SNEZLGSKCCPMQE-CYBMUJFWSA-N 1 2 333.457 2.127 20 30 EEEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1ccnnc1C ZINC001377491454 1379291915 /nfs/dbraw/zinc/29/19/15/1379291915.db2.gz ZRYHVQFSKQZGHR-UHFFFAOYSA-N 1 2 341.253 2.135 20 30 EEEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1ccnnc1C ZINC001377491454 1379291911 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/nfs/dbraw/zinc/44/84/87/784448487.db2.gz NNIDKFDGTMYMGB-HNNXBMFYSA-N 1 2 344.386 2.334 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2scnc2C2CCCC2)C1 ZINC001035436121 784523430 /nfs/dbraw/zinc/52/34/30/784523430.db2.gz VWORBWRLOFPDQT-HNNXBMFYSA-N 1 2 347.484 2.255 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2scnc2C2CCCC2)C1 ZINC001035436121 784523438 /nfs/dbraw/zinc/52/34/38/784523438.db2.gz VWORBWRLOFPDQT-HNNXBMFYSA-N 1 2 347.484 2.255 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC001035535614 784692235 /nfs/dbraw/zinc/69/22/35/784692235.db2.gz IYEDNQJFAUGGCL-IAGOWNOFSA-N 1 2 344.455 2.118 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC001035535614 784692237 /nfs/dbraw/zinc/69/22/37/784692237.db2.gz IYEDNQJFAUGGCL-IAGOWNOFSA-N 1 2 344.455 2.118 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cnn(C(CC)CC)c2C)C1 ZINC001035574174 784712623 /nfs/dbraw/zinc/71/26/23/784712623.db2.gz LTUNLPXJWZKQPY-QGZVFWFLSA-N 1 2 346.475 2.007 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cnn(C(CC)CC)c2C)C1 ZINC001035574174 784712628 /nfs/dbraw/zinc/71/26/28/784712628.db2.gz LTUNLPXJWZKQPY-QGZVFWFLSA-N 1 2 346.475 2.007 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3ccco3)s2)C1 ZINC001035561366 784735695 /nfs/dbraw/zinc/73/56/95/784735695.db2.gz CNTANOOIWOHKEC-AWEZNQCLSA-N 1 2 344.436 2.462 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3ccco3)s2)C1 ZINC001035561366 784735698 /nfs/dbraw/zinc/73/56/98/784735698.db2.gz CNTANOOIWOHKEC-AWEZNQCLSA-N 1 2 344.436 2.462 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2coc3ccc(F)cc32)C1 ZINC001035589482 784798434 /nfs/dbraw/zinc/79/84/34/784798434.db2.gz MNIMPJKHOMIIPP-CQSZACIVSA-N 1 2 330.359 2.026 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2coc3ccc(F)cc32)C1 ZINC001035589482 784798439 /nfs/dbraw/zinc/79/84/39/784798439.db2.gz MNIMPJKHOMIIPP-CQSZACIVSA-N 1 2 330.359 2.026 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2CC(c3cccc(F)c3)C2)C1 ZINC001035621214 784811873 /nfs/dbraw/zinc/81/18/73/784811873.db2.gz LMPWGTKUCRCZIK-HTWSVDAQSA-N 1 2 332.419 2.322 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C2CC(c3cccc(F)c3)C2)C1 ZINC001035621214 784811880 /nfs/dbraw/zinc/81/18/80/784811880.db2.gz LMPWGTKUCRCZIK-HTWSVDAQSA-N 1 2 332.419 2.322 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2oc3ccccc3c2CC)C1 ZINC001035623794 784815809 /nfs/dbraw/zinc/81/58/09/784815809.db2.gz FGDMWPZMNNHIEJ-OAHLLOKOSA-N 1 2 340.423 2.449 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2oc3ccccc3c2CC)C1 ZINC001035623794 784815816 /nfs/dbraw/zinc/81/58/16/784815816.db2.gz FGDMWPZMNNHIEJ-OAHLLOKOSA-N 1 2 340.423 2.449 20 30 EEEDLO C#CCCOc1ccc(C(=O)NCC[NH2+][C@H](C)c2ncc(C)o2)cc1 ZINC001127014388 785013461 /nfs/dbraw/zinc/01/34/61/785013461.db2.gz HXUMFXBMOLXWEU-OAHLLOKOSA-N 1 2 341.411 2.466 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H](OC)C1CCC1)CC2 ZINC001035758569 785068769 /nfs/dbraw/zinc/06/87/69/785068769.db2.gz FNDSOVLFLLOTCS-OAHLLOKOSA-N 1 2 326.868 2.478 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CCN(C(=O)c1ccc3[nH]nnc3c1)CC2 ZINC001035847899 785224207 /nfs/dbraw/zinc/22/42/07/785224207.db2.gz JGJUTDBJVUKZOI-UHFFFAOYSA-N 1 2 325.416 2.072 20 30 EEEDLO C=C[C@H]1C[C@]1(Nc1c[nH+]c(N2CCOCC2)cc1C)C(=O)OCC ZINC001170915340 785322167 /nfs/dbraw/zinc/32/21/67/785322167.db2.gz CFHUPJPMKJGPSQ-KBXCAEBGSA-N 1 2 331.416 2.146 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@@H]([NH2+]Cc3nc(C)no3)C(C)(C)C2)CC1 ZINC000996230304 786152727 /nfs/dbraw/zinc/15/27/27/786152727.db2.gz AJKUETZMBRSWJT-OAHLLOKOSA-N 1 2 332.448 2.451 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@]3(C)CC=C(C)CC3)nn2)C1 ZINC001107238037 786589373 /nfs/dbraw/zinc/58/93/73/786589373.db2.gz DNBJGNRTPRJAFO-LJQANCHMSA-N 1 2 343.475 2.464 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000996587980 786708184 /nfs/dbraw/zinc/70/81/84/786708184.db2.gz AGCSNRHJOSAVCS-UHFFFAOYSA-N 1 2 338.411 2.025 20 30 EEEDLO C=CCC1(C(=O)NC/C=C/CNc2cc[nH+]c(C)n2)CCOCC1 ZINC001107291958 786777237 /nfs/dbraw/zinc/77/72/37/786777237.db2.gz LZVWGYSQBJPVAE-SNAWJCMRSA-N 1 2 330.432 2.242 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC/C=C/CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001107345867 786975308 /nfs/dbraw/zinc/97/53/08/786975308.db2.gz JLZKERXSRQLRPV-MVGZEHJDSA-N 1 2 330.432 2.031 20 30 EEEDLO C=CC(C)(C)CC(=O)NC/C=C/CNc1[nH+]cnc2c1cnn2C ZINC001107361990 786994843 /nfs/dbraw/zinc/99/48/43/786994843.db2.gz RRENTDBMYBZJID-VOTSOKGWSA-N 1 2 328.420 2.050 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NC/C=C\CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107456503 787285938 /nfs/dbraw/zinc/28/59/38/787285938.db2.gz OXPARDYMGYSIEZ-NHQLZKDQSA-N 1 2 343.475 2.007 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NC/C=C\CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107456503 787285946 /nfs/dbraw/zinc/28/59/46/787285946.db2.gz OXPARDYMGYSIEZ-NHQLZKDQSA-N 1 2 343.475 2.007 20 30 EEEDLO C=CCCC1(C(=O)NC/C=C\CNc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001107493613 787408911 /nfs/dbraw/zinc/40/89/11/787408911.db2.gz KJUZXVFWEKHQJZ-FPLPWBNLSA-N 1 2 344.463 2.077 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CN(C)c2cc[nH+]c(C)n2)CC1 ZINC001062232131 787677152 /nfs/dbraw/zinc/67/71/52/787677152.db2.gz IMUCWSRRXZCLAM-SJORKVTESA-N 1 2 344.459 2.051 20 30 EEEDLO C[C@H](CC(=O)N(C)CCCNc1ccc(C#N)nc1)n1cc[nH+]c1 ZINC001109637393 805813852 /nfs/dbraw/zinc/81/38/52/805813852.db2.gz RCXADAZGTYSSBU-CQSZACIVSA-N 1 2 326.404 2.061 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3sccc3[nH]2)[C@@H](O)C1 ZINC001090699387 787856987 /nfs/dbraw/zinc/85/69/87/787856987.db2.gz CACKORUGESVTCX-GWCFXTLKSA-N 1 2 339.848 2.147 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3sccc3[nH]2)[C@@H](O)C1 ZINC001090699387 787857000 /nfs/dbraw/zinc/85/70/00/787857000.db2.gz CACKORUGESVTCX-GWCFXTLKSA-N 1 2 339.848 2.147 20 30 EEEDLO Cn1cc[nH+]c1CCC(=O)NC/C=C/CNc1cccc(F)c1C#N ZINC001107602517 787871210 /nfs/dbraw/zinc/87/12/10/787871210.db2.gz KUNOZSWUUZNBHK-NSCUHMNNSA-N 1 2 341.390 2.148 20 30 EEEDLO C=C1CCC(C(=O)N2CCCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001062339294 787909471 /nfs/dbraw/zinc/90/94/71/787909471.db2.gz WIIGWENMPBTVQK-QGZVFWFLSA-N 1 2 344.459 2.127 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C(C)C)n3)C[C@H]2O)C1 ZINC001077641708 787931293 /nfs/dbraw/zinc/93/12/93/787931293.db2.gz CLYGJOBNBOPTOA-QZTJIDSGSA-N 1 2 343.471 2.223 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C(C)C)n3)C[C@H]2O)C1 ZINC001077641708 787931296 /nfs/dbraw/zinc/93/12/96/787931296.db2.gz CLYGJOBNBOPTOA-QZTJIDSGSA-N 1 2 343.471 2.223 20 30 EEEDLO C=CCCC(=O)NC[C@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107802473 788503381 /nfs/dbraw/zinc/50/33/81/788503381.db2.gz SAMKDUYXSYAAFC-LJQANCHMSA-N 1 2 327.428 2.232 20 30 EEEDLO C=CCCC(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107802473 788503391 /nfs/dbraw/zinc/50/33/91/788503391.db2.gz SAMKDUYXSYAAFC-LJQANCHMSA-N 1 2 327.428 2.232 20 30 EEEDLO C[C@H](C(=O)NC[C@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1)C1CC1 ZINC001107845909 788737173 /nfs/dbraw/zinc/73/71/73/788737173.db2.gz MPMPNCPJPXIYGD-MGPUTAFESA-N 1 2 341.455 2.311 20 30 EEEDLO C[C@H](C(=O)NC[C@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1)C1CC1 ZINC001107845909 788737175 /nfs/dbraw/zinc/73/71/75/788737175.db2.gz MPMPNCPJPXIYGD-MGPUTAFESA-N 1 2 341.455 2.311 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060794991 788969463 /nfs/dbraw/zinc/96/94/63/788969463.db2.gz DFWRHEANOBARFU-KLHDSHLOSA-N 1 2 346.475 2.202 20 30 EEEDLO CC1(C)C[C@@H]1C(=O)NC[C@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107876125 788995570 /nfs/dbraw/zinc/99/55/70/788995570.db2.gz HIQYMJAVENQPOF-YLJYHZDGSA-N 1 2 341.455 2.311 20 30 EEEDLO CC1(C)C[C@@H]1C(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107876125 788995578 /nfs/dbraw/zinc/99/55/78/788995578.db2.gz HIQYMJAVENQPOF-YLJYHZDGSA-N 1 2 341.455 2.311 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](OC)[C@H](C)CC)CC2)C1 ZINC001105714156 789148282 /nfs/dbraw/zinc/14/82/82/789148282.db2.gz MBTGSDPKZKMNHH-QAPCUYQASA-N 1 2 338.492 2.315 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001144068799 789197339 /nfs/dbraw/zinc/19/73/39/789197339.db2.gz STSYCZNLZQECHS-UHFFFAOYSA-N 1 2 333.480 2.453 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001144068799 789197344 /nfs/dbraw/zinc/19/73/44/789197344.db2.gz STSYCZNLZQECHS-UHFFFAOYSA-N 1 2 333.480 2.453 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CC(C)(C)COC)CC2)C1 ZINC001105717064 789216096 /nfs/dbraw/zinc/21/60/96/789216096.db2.gz MMMKVBDOCMVYJN-UHFFFAOYSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)C ZINC001109767707 805951179 /nfs/dbraw/zinc/95/11/79/805951179.db2.gz HJAAVIQYUMYHIJ-PMPSAXMXSA-N 1 2 335.492 2.082 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)C ZINC001109767707 805951183 /nfs/dbraw/zinc/95/11/83/805951183.db2.gz HJAAVIQYUMYHIJ-PMPSAXMXSA-N 1 2 335.492 2.082 20 30 EEEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001091004407 789358926 /nfs/dbraw/zinc/35/89/26/789358926.db2.gz LNBYTWPJKTZXNZ-GDBMZVCRSA-N 1 2 344.459 2.207 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)OCCCCCC)C1 ZINC001107941587 789554878 /nfs/dbraw/zinc/55/48/78/789554878.db2.gz IWGOIFPWKASSQS-FUHWJXTLSA-N 1 2 326.481 2.365 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)OCCCCCC)C1 ZINC001107941587 789554882 /nfs/dbraw/zinc/55/48/82/789554882.db2.gz IWGOIFPWKASSQS-FUHWJXTLSA-N 1 2 326.481 2.365 20 30 EEEDLO C#CCCCC(=O)NC[C@@H](O)CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001105795691 789664555 /nfs/dbraw/zinc/66/45/55/789664555.db2.gz FTRPTTNMXKTMQQ-HNNXBMFYSA-N 1 2 346.475 2.416 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCCC[C@@H]2CNc2cc[nH+]c(C)n2)c1 ZINC001060305822 789902547 /nfs/dbraw/zinc/90/25/47/789902547.db2.gz LZIJEKKLNWEJEP-QGZVFWFLSA-N 1 2 335.411 2.268 20 30 EEEDLO CC(C)(C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)C1CCC1 ZINC001083676031 789958761 /nfs/dbraw/zinc/95/87/61/789958761.db2.gz GDIXFZYGADUCKL-MOPGFXCFSA-N 1 2 340.467 2.026 20 30 EEEDLO CC(C)(C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)C1CCC1 ZINC001083676031 789958766 /nfs/dbraw/zinc/95/87/66/789958766.db2.gz GDIXFZYGADUCKL-MOPGFXCFSA-N 1 2 340.467 2.026 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079045507 790006409 /nfs/dbraw/zinc/00/64/09/790006409.db2.gz HEVPVBCMGUHDRT-JKSUJKDBSA-N 1 2 346.475 2.394 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(C)(C)C)C2 ZINC001109805669 806019581 /nfs/dbraw/zinc/01/95/81/806019581.db2.gz GELYARPONWOEGV-WCVJEAGWSA-N 1 2 335.492 2.082 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(C)(C)C)C2 ZINC001109805669 806019590 /nfs/dbraw/zinc/01/95/90/806019590.db2.gz GELYARPONWOEGV-WCVJEAGWSA-N 1 2 335.492 2.082 20 30 EEEDLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCN(c2ccc(C#N)cn2)C1 ZINC001063066200 790169094 /nfs/dbraw/zinc/16/90/94/790169094.db2.gz MHHPNXHPPYOVEQ-HNNXBMFYSA-N 1 2 346.394 2.180 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC1(NC(=O)CCc2c[nH+]cn2C)CCC1 ZINC001063060869 790169651 /nfs/dbraw/zinc/16/96/51/790169651.db2.gz MJPZVNDPKOZVTH-UHFFFAOYSA-N 1 2 346.475 2.110 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO[C@@H]1CC1(F)F ZINC001032557939 791209310 /nfs/dbraw/zinc/20/93/10/791209310.db2.gz XTBVWVPCKLJDFM-MELADBBJSA-N 1 2 328.403 2.298 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO[C@@H]1CC1(F)F ZINC001032557939 791209321 /nfs/dbraw/zinc/20/93/21/791209321.db2.gz XTBVWVPCKLJDFM-MELADBBJSA-N 1 2 328.403 2.298 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccnc(OC)c1 ZINC001032558247 791233536 /nfs/dbraw/zinc/23/35/36/791233536.db2.gz MPXHCLKCEVDLDZ-HOTGVXAUSA-N 1 2 329.444 2.478 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccnc(OC)c1 ZINC001032558247 791233547 /nfs/dbraw/zinc/23/35/47/791233547.db2.gz MPXHCLKCEVDLDZ-HOTGVXAUSA-N 1 2 329.444 2.478 20 30 EEEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1nnc3n1CCCCC3)C2 ZINC001147165158 791722184 /nfs/dbraw/zinc/72/21/84/791722184.db2.gz CVFDQZQEBQXVCB-UHFFFAOYSA-N 1 2 343.475 2.005 20 30 EEEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nnc3n1CCCCC3)C2 ZINC001147165158 791722188 /nfs/dbraw/zinc/72/21/88/791722188.db2.gz CVFDQZQEBQXVCB-UHFFFAOYSA-N 1 2 343.475 2.005 20 30 EEEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)COC(C)(C)C)C2)C1 ZINC001147368522 791802858 /nfs/dbraw/zinc/80/28/58/791802858.db2.gz FJSUHGJFSYUKIA-UHFFFAOYSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)COC(C)(C)C)C2)C1 ZINC001147368522 791802862 /nfs/dbraw/zinc/80/28/62/791802862.db2.gz FJSUHGJFSYUKIA-UHFFFAOYSA-N 1 2 345.281 2.244 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000173785567 791907339 /nfs/dbraw/zinc/90/73/39/791907339.db2.gz ADOWWJOFYZCPTB-UHFFFAOYSA-N 1 2 349.406 2.070 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000173785567 791907343 /nfs/dbraw/zinc/90/73/43/791907343.db2.gz ADOWWJOFYZCPTB-UHFFFAOYSA-N 1 2 349.406 2.070 20 30 EEEDLO C=CCOCC(=O)N1CC2(C[C@@H]1C)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001091652224 791931613 /nfs/dbraw/zinc/93/16/13/791931613.db2.gz SEXDOGCMICBMEA-HNNXBMFYSA-N 1 2 344.459 2.195 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1ncnn1C(C)C)C2 ZINC001148129761 792204415 /nfs/dbraw/zinc/20/44/15/792204415.db2.gz IOVMWBFEIKVPJK-INIZCTEOSA-N 1 2 345.491 2.496 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ncnn1C(C)C)C2 ZINC001148129761 792204423 /nfs/dbraw/zinc/20/44/23/792204423.db2.gz IOVMWBFEIKVPJK-INIZCTEOSA-N 1 2 345.491 2.496 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001064099964 792395049 /nfs/dbraw/zinc/39/50/49/792395049.db2.gz USXVFYPBKFRYJN-XJKSGUPXSA-N 1 2 341.390 2.291 20 30 EEEDLO CCc1ncoc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032617256 792407287 /nfs/dbraw/zinc/40/72/87/792407287.db2.gz SFFGFYNOMGRQFM-HOTGVXAUSA-N 1 2 336.395 2.208 20 30 EEEDLO CCc1ncoc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032617256 792407293 /nfs/dbraw/zinc/40/72/93/792407293.db2.gz SFFGFYNOMGRQFM-HOTGVXAUSA-N 1 2 336.395 2.208 20 30 EEEDLO Cc1ncccc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032626252 792543531 /nfs/dbraw/zinc/54/35/31/792543531.db2.gz CMEHXYJTYHPJDK-SFTDATJTSA-N 1 2 345.446 2.269 20 30 EEEDLO Cc1ncccc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032626252 792543534 /nfs/dbraw/zinc/54/35/34/792543534.db2.gz CMEHXYJTYHPJDK-SFTDATJTSA-N 1 2 345.446 2.269 20 30 EEEDLO N#Cc1cccnc1NC[C@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001064187180 792641281 /nfs/dbraw/zinc/64/12/81/792641281.db2.gz BCVXLVJCFZBZEQ-ZBFHGGJFSA-N 1 2 338.415 2.006 20 30 EEEDLO C=C1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@H+](Cc2nnc(C)[nH]2)CC3)CC1 ZINC000992157294 792950371 /nfs/dbraw/zinc/95/03/71/792950371.db2.gz ZQKWRLBGJFIKRA-QFBILLFUSA-N 1 2 343.475 2.473 20 30 EEEDLO C=C1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](Cc2nnc(C)[nH]2)CC3)CC1 ZINC000992157294 792950379 /nfs/dbraw/zinc/95/03/79/792950379.db2.gz ZQKWRLBGJFIKRA-QFBILLFUSA-N 1 2 343.475 2.473 20 30 EEEDLO C=C(Cl)C[NH+]1CCC2(C[C@@H](C)N(C(=O)c3[nH]nnc3C)C2)CC1 ZINC001086936440 793019643 /nfs/dbraw/zinc/01/96/43/793019643.db2.gz QAKVJNXOQRSHKW-GFCCVEGCSA-N 1 2 337.855 2.182 20 30 EEEDLO COc1nscc1C[N@H+](C)C[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC001089174392 793072216 /nfs/dbraw/zinc/07/22/16/793072216.db2.gz AIIKTQOKNDOTFH-INIZCTEOSA-N 1 2 347.484 2.378 20 30 EEEDLO COc1nscc1C[N@@H+](C)C[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC001089174392 793072224 /nfs/dbraw/zinc/07/22/24/793072224.db2.gz AIIKTQOKNDOTFH-INIZCTEOSA-N 1 2 347.484 2.378 20 30 EEEDLO C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)Nc1cccc(F)c1C#N ZINC001098302375 793210194 /nfs/dbraw/zinc/21/01/94/793210194.db2.gz JSBLWQIGPNCGFS-CHWSQXEVSA-N 1 2 329.379 2.462 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001091955700 793461030 /nfs/dbraw/zinc/46/10/30/793461030.db2.gz GCQDKPZBCDEAGW-WTANOLMUSA-N 1 2 344.459 2.073 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC1CC(Nc2[nH+]cnc3c2cnn3C)C1 ZINC001092261820 793773588 /nfs/dbraw/zinc/77/35/88/793773588.db2.gz RVMPNEYOLMLMQM-KJBLDROHSA-N 1 2 342.447 2.272 20 30 EEEDLO Cc1nc(N2C[C@@H]3CN(C(=O)C#CC(C)C)C[C@]3(C)C2)c(C)c(C)[nH+]1 ZINC001092288731 793804563 /nfs/dbraw/zinc/80/45/63/793804563.db2.gz FKUNKOLNUJFTKJ-FXAWDEMLSA-N 1 2 340.471 2.346 20 30 EEEDLO C[C@H]1C[C@@H](Nc2ccc(C#N)cn2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001064815795 793809060 /nfs/dbraw/zinc/80/90/60/793809060.db2.gz GQKLAJCXNDFABI-HOCLYGCPSA-N 1 2 338.415 2.031 20 30 EEEDLO Cc1nsc(N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H](C)C2)c1C#N ZINC001064831951 793820234 /nfs/dbraw/zinc/82/02/34/793820234.db2.gz HPFQPULCXYVMJJ-PWSUYJOCSA-N 1 2 344.444 2.080 20 30 EEEDLO C[C@@H]1C[C@@H](Nc2ncccc2C#N)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001064835448 793849463 /nfs/dbraw/zinc/84/94/63/793849463.db2.gz JKTMOFZJODPBSE-HIFRSBDPSA-N 1 2 338.415 2.101 20 30 EEEDLO C[C@@H]1C[C@@H](Nc2ncccc2C#N)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001064835448 793849474 /nfs/dbraw/zinc/84/94/74/793849474.db2.gz JKTMOFZJODPBSE-HIFRSBDPSA-N 1 2 338.415 2.101 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3c(o2)CCCC3)[C@@H](O)C1 ZINC001090320264 793868878 /nfs/dbraw/zinc/86/88/78/793868878.db2.gz VXYIIHUPTBFFCA-KBPBESRZSA-N 1 2 338.835 2.076 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3c(o2)CCCC3)[C@@H](O)C1 ZINC001090320264 793868887 /nfs/dbraw/zinc/86/88/87/793868887.db2.gz VXYIIHUPTBFFCA-KBPBESRZSA-N 1 2 338.835 2.076 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1c[nH]c3ccccc13)c1nccn12 ZINC001092379042 793874090 /nfs/dbraw/zinc/87/40/90/793874090.db2.gz BPGYYNXZSUPNIT-KRWDZBQOSA-N 1 2 347.422 2.436 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nccc3occc31)c1nccn12 ZINC001092384060 793878646 /nfs/dbraw/zinc/87/86/46/793878646.db2.gz XZHXUVKQAUVFGL-CQSZACIVSA-N 1 2 349.394 2.096 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C(C)C)on1)c1nccn12 ZINC001092383919 793878725 /nfs/dbraw/zinc/87/87/25/793878725.db2.gz UABYILBIUWLJFI-AWEZNQCLSA-N 1 2 341.415 2.066 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nc(Cl)cs1)c1nccn12 ZINC001092390905 793887542 /nfs/dbraw/zinc/88/75/42/793887542.db2.gz IVIWWXGZDPCTDG-SNVBAGLBSA-N 1 2 349.847 2.065 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1nc(C)c(C)s1)c1nccn12 ZINC001092411202 793961459 /nfs/dbraw/zinc/96/14/59/793961459.db2.gz XBKRLYKSGXDMPX-ZDUSSCGKSA-N 1 2 343.456 2.028 20 30 EEEDLO C#Cc1cncc(C(=O)NC2C[NH+](Cc3ccc4c(c3)CCC4)C2)c1 ZINC001030928127 793968080 /nfs/dbraw/zinc/96/80/80/793968080.db2.gz GSHQKWVQBYLTSM-UHFFFAOYSA-N 1 2 331.419 2.166 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](CNc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001109956702 806291550 /nfs/dbraw/zinc/29/15/50/806291550.db2.gz ARFCWOKEUACPHY-AWEZNQCLSA-N 1 2 346.479 2.155 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)Oc1cccc(C)c1 ZINC001032678769 794076574 /nfs/dbraw/zinc/07/65/74/794076574.db2.gz CFEYELYDNUJFRD-JENIJYKNSA-N 1 2 326.440 2.461 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)Oc1cccc(C)c1 ZINC001032678769 794076588 /nfs/dbraw/zinc/07/65/88/794076588.db2.gz CFEYELYDNUJFRD-JENIJYKNSA-N 1 2 326.440 2.461 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)c2cc(Br)[nH]n2)C1 ZINC000999296584 794248631 /nfs/dbraw/zinc/24/86/31/794248631.db2.gz ZWQNDFRNRNMCCT-VIFPVBQESA-N 1 2 347.644 2.119 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)c1ccc[nH]1 ZINC001079416657 794715610 /nfs/dbraw/zinc/71/56/10/794715610.db2.gz MEVKHJOQNIUGLE-SJKOYZFVSA-N 1 2 326.375 2.276 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)c1ccc[nH]1 ZINC001079416657 794715614 /nfs/dbraw/zinc/71/56/14/794715614.db2.gz MEVKHJOQNIUGLE-SJKOYZFVSA-N 1 2 326.375 2.276 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2F)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079542070 794912330 /nfs/dbraw/zinc/91/23/30/794912330.db2.gz KPDLDTHBFBOJMQ-PIGZYNQJSA-N 1 2 344.365 2.415 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079542070 794912336 /nfs/dbraw/zinc/91/23/36/794912336.db2.gz KPDLDTHBFBOJMQ-PIGZYNQJSA-N 1 2 344.365 2.415 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(OCC)C2)C1 ZINC001079641566 795069837 /nfs/dbraw/zinc/06/98/37/795069837.db2.gz PMNMJLJHFZZOMJ-WKIYYKSKSA-N 1 2 345.281 2.147 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(OCC)C2)C1 ZINC001079641566 795069841 /nfs/dbraw/zinc/06/98/41/795069841.db2.gz PMNMJLJHFZZOMJ-WKIYYKSKSA-N 1 2 345.281 2.147 20 30 EEEDLO C=CCCCC(=O)N1CC(N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001079792914 795201987 /nfs/dbraw/zinc/20/19/87/795201987.db2.gz KZMXJUMEZIQMQT-OAHLLOKOSA-N 1 2 332.448 2.250 20 30 EEEDLO C=CCCC(=O)N1CCC(C)(Nc2ncnc3c2C[N@H+](C)CC3)CC1 ZINC001112345260 795213709 /nfs/dbraw/zinc/21/37/09/795213709.db2.gz MZIUDGBZKLLMDF-UHFFFAOYSA-N 1 2 343.475 2.224 20 30 EEEDLO C=CCCC(=O)N1CCC(C)(Nc2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC001112345260 795213713 /nfs/dbraw/zinc/21/37/13/795213713.db2.gz MZIUDGBZKLLMDF-UHFFFAOYSA-N 1 2 343.475 2.224 20 30 EEEDLO C=CC(C)(C)CC(=O)N(CC)C1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001079845817 795277122 /nfs/dbraw/zinc/27/71/22/795277122.db2.gz OQCWWVHHSFMIPQ-OAHLLOKOSA-N 1 2 346.475 2.496 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC(N(CC)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079855047 795283451 /nfs/dbraw/zinc/28/34/51/795283451.db2.gz LYVCOHLTZVLXJB-CQSZACIVSA-N 1 2 346.475 2.250 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC(N(CC)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079855047 795283458 /nfs/dbraw/zinc/28/34/58/795283458.db2.gz LYVCOHLTZVLXJB-CQSZACIVSA-N 1 2 346.475 2.250 20 30 EEEDLO CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1C#N)c1c[nH+]c[nH]1 ZINC001032732199 795288957 /nfs/dbraw/zinc/28/89/57/795288957.db2.gz VTXNZMKBTXOEFD-IRXDYDNUSA-N 1 2 349.438 2.044 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCCOCC3)CC2)C1 ZINC001093530497 795317133 /nfs/dbraw/zinc/31/71/33/795317133.db2.gz CSSXEWWYUQRAKD-MRXNPFEDSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccnn3C3CCC3)CC2)C1 ZINC001093536793 795322166 /nfs/dbraw/zinc/32/21/66/795322166.db2.gz QRIPOKLMKSSRCE-UHFFFAOYSA-N 1 2 344.459 2.100 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CC[C@@H](CC)O3)CC2)C1 ZINC001093540298 795343986 /nfs/dbraw/zinc/34/39/86/795343986.db2.gz HZJAXGDTBGFMQJ-QAPCUYQASA-N 1 2 336.476 2.212 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3onc(C)c3C)CC2)C1 ZINC001093544335 795357196 /nfs/dbraw/zinc/35/71/96/795357196.db2.gz ACMICGLOPVJUCM-UHFFFAOYSA-N 1 2 333.432 2.173 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@@H]3CC[C@@H](C)O3)CC2)C1 ZINC001093569307 795379741 /nfs/dbraw/zinc/37/97/41/795379741.db2.gz BBDPPIXAXCUIHZ-WBVHZDCISA-N 1 2 336.476 2.212 20 30 EEEDLO Cc1nc(NCC[C@H](C)NC(=O)CCCn2cc[nH+]c2)ccc1C#N ZINC001106362585 795454806 /nfs/dbraw/zinc/45/48/06/795454806.db2.gz PDYJEGMYDOBXSL-AWEZNQCLSA-N 1 2 340.431 2.245 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(Cc3ccccc3)CC2)C1 ZINC001108003989 795466527 /nfs/dbraw/zinc/46/65/27/795466527.db2.gz NVRGLKGGHTXKNF-FQEVSTJZSA-N 1 2 340.467 2.240 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(Cc3ccccc3)CC2)C1 ZINC001108003989 795466539 /nfs/dbraw/zinc/46/65/39/795466539.db2.gz NVRGLKGGHTXKNF-FQEVSTJZSA-N 1 2 340.467 2.240 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@H](C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106443467 795598455 /nfs/dbraw/zinc/59/84/55/795598455.db2.gz XUHVZJGFGOAWMD-ZIAGYGMSSA-N 1 2 344.459 2.009 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccccc1C(C)C ZINC001032770502 795647296 /nfs/dbraw/zinc/64/72/96/795647296.db2.gz CKMFBLSXFWPRMV-IRXDYDNUSA-N 1 2 326.440 2.497 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccccc1C(C)C ZINC001032770502 795647304 /nfs/dbraw/zinc/64/73/04/795647304.db2.gz CKMFBLSXFWPRMV-IRXDYDNUSA-N 1 2 326.440 2.497 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC(N(CC)C(=O)CCc2c[nH+]cn2C)C1 ZINC001080246684 795755250 /nfs/dbraw/zinc/75/52/50/795755250.db2.gz NSWYSDWWCOMFIG-HNNXBMFYSA-N 1 2 346.475 2.014 20 30 EEEDLO C=CCCC(=O)N1CC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)CC2 ZINC001060940222 795809419 /nfs/dbraw/zinc/80/94/19/795809419.db2.gz WKDGWAHSJGHDKY-OAHLLOKOSA-N 1 2 344.459 2.006 20 30 EEEDLO C=CCCC(=O)N1CC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)CC2 ZINC001060940222 795809422 /nfs/dbraw/zinc/80/94/22/795809422.db2.gz WKDGWAHSJGHDKY-OAHLLOKOSA-N 1 2 344.459 2.006 20 30 EEEDLO C[C@H](CCNc1ccc(C#N)nc1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001106592865 795905833 /nfs/dbraw/zinc/90/58/33/795905833.db2.gz JZYGDLUIHVOYQQ-ZIAGYGMSSA-N 1 2 326.404 2.108 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001080366020 795943834 /nfs/dbraw/zinc/94/38/34/795943834.db2.gz PWYOWLKALJFDKB-PIGZYNQJSA-N 1 2 342.374 2.244 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001080366020 795943841 /nfs/dbraw/zinc/94/38/41/795943841.db2.gz PWYOWLKALJFDKB-PIGZYNQJSA-N 1 2 342.374 2.244 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ncc(C)o3)C[C@H]2C)c1 ZINC001080409477 795983665 /nfs/dbraw/zinc/98/36/65/795983665.db2.gz FTSPJPUZLDSNKC-HACGYAERSA-N 1 2 338.411 2.171 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ncc(C)o3)C[C@H]2C)c1 ZINC001080409477 795983670 /nfs/dbraw/zinc/98/36/70/795983670.db2.gz FTSPJPUZLDSNKC-HACGYAERSA-N 1 2 338.411 2.171 20 30 EEEDLO N#Cc1cnc(NCCNC(=O)c2cc3c[nH+]ccc3[nH]2)c(Cl)c1 ZINC001094235828 796028279 /nfs/dbraw/zinc/02/82/79/796028279.db2.gz LAGYPSBNNRHWHX-UHFFFAOYSA-N 1 2 340.774 2.325 20 30 EEEDLO C=C1CCC(C(=O)NCC[C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001078217213 796094702 /nfs/dbraw/zinc/09/47/02/796094702.db2.gz VGDHDAQIZXSKII-GJZGRUSLSA-N 1 2 346.475 2.346 20 30 EEEDLO C=C1CCC(C(=O)NCC[C@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001078217213 796094710 /nfs/dbraw/zinc/09/47/10/796094710.db2.gz VGDHDAQIZXSKII-GJZGRUSLSA-N 1 2 346.475 2.346 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cc(CC)c(C)s3)nn2)C1 ZINC001094337954 796111925 /nfs/dbraw/zinc/11/19/25/796111925.db2.gz XRCJGRGTTDGPSD-UHFFFAOYSA-N 1 2 345.472 2.183 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001078307638 796251570 /nfs/dbraw/zinc/25/15/70/796251570.db2.gz GMTLULFHRRZREY-KBPBESRZSA-N 1 2 344.459 2.197 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ncc[nH]2)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000993318499 796353587 /nfs/dbraw/zinc/35/35/87/796353587.db2.gz UYHYDBANHIPDIY-LRDDRELGSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ncc[nH]2)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000993318499 796353589 /nfs/dbraw/zinc/35/35/89/796353589.db2.gz UYHYDBANHIPDIY-LRDDRELGSA-N 1 2 341.390 2.203 20 30 EEEDLO N#Cc1cccnc1NCCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001094554500 796429502 /nfs/dbraw/zinc/42/95/02/796429502.db2.gz FHBCALOZQHVNAZ-UHFFFAOYSA-N 1 2 346.394 2.371 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)cc2c1OCC2 ZINC001032807369 796538216 /nfs/dbraw/zinc/53/82/16/796538216.db2.gz GBOOSUZNMHCKEP-GJZGRUSLSA-N 1 2 330.815 2.197 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)cc2c1OCC2 ZINC001032807369 796538218 /nfs/dbraw/zinc/53/82/18/796538218.db2.gz GBOOSUZNMHCKEP-GJZGRUSLSA-N 1 2 330.815 2.197 20 30 EEEDLO Cc1nsc(NCCCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)c1C#N ZINC001094781611 796576323 /nfs/dbraw/zinc/57/63/23/796576323.db2.gz QOPOSFYVDQOMNY-LLVKDONJSA-N 1 2 344.444 2.085 20 30 EEEDLO C=CCCC(=O)N(CC)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001081093377 796625919 /nfs/dbraw/zinc/62/59/19/796625919.db2.gz JBEUNCMWJFNDRH-UHFFFAOYSA-N 1 2 346.475 2.396 20 30 EEEDLO C=CCCC(=O)N(CC)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001081093377 796625920 /nfs/dbraw/zinc/62/59/20/796625920.db2.gz JBEUNCMWJFNDRH-UHFFFAOYSA-N 1 2 346.475 2.396 20 30 EEEDLO C#Cc1ccc(C(=O)NC2C[NH+](CCCc3ccccc3OC)C2)cn1 ZINC001031278623 796636426 /nfs/dbraw/zinc/63/64/26/796636426.db2.gz TYNGUGKPWNQPFM-UHFFFAOYSA-N 1 2 349.434 2.118 20 30 EEEDLO C#CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1c1ccccc1 ZINC001081119601 796660080 /nfs/dbraw/zinc/66/00/80/796660080.db2.gz DZDNWJIQPGJMIO-BFHYXJOUSA-N 1 2 328.309 2.104 20 30 EEEDLO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1c1ccccc1 ZINC001081119601 796660082 /nfs/dbraw/zinc/66/00/82/796660082.db2.gz DZDNWJIQPGJMIO-BFHYXJOUSA-N 1 2 328.309 2.104 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cccs1 ZINC001081309179 796724544 /nfs/dbraw/zinc/72/45/44/796724544.db2.gz YRPXFJNYBSORTB-HZPDHXFCSA-N 1 2 341.436 2.249 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cccs1 ZINC001081309179 796724545 /nfs/dbraw/zinc/72/45/45/796724545.db2.gz YRPXFJNYBSORTB-HZPDHXFCSA-N 1 2 341.436 2.249 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cnccc2OC)[C@@H]1C ZINC000993486681 796766366 /nfs/dbraw/zinc/76/63/66/796766366.db2.gz FZZMVDAGBVFPFO-DZGCQCFKSA-N 1 2 337.851 2.354 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cnccc2OC)[C@@H]1C ZINC000993486681 796766372 /nfs/dbraw/zinc/76/63/72/796766372.db2.gz FZZMVDAGBVFPFO-DZGCQCFKSA-N 1 2 337.851 2.354 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ccccc2C(N)=O)[C@@H]1C ZINC000993663522 796921558 /nfs/dbraw/zinc/92/15/58/796921558.db2.gz BVTUKTFMFPJFNO-BBRMVZONSA-N 1 2 349.862 2.050 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccccc2C(N)=O)[C@@H]1C ZINC000993663522 796921561 /nfs/dbraw/zinc/92/15/61/796921561.db2.gz BVTUKTFMFPJFNO-BBRMVZONSA-N 1 2 349.862 2.050 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)Cc1ccccc1 ZINC001081865128 796926060 /nfs/dbraw/zinc/92/60/60/796926060.db2.gz YGFKMVAKHQQZDA-WOJBJXKFSA-N 1 2 349.434 2.116 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)Cc1ccccc1 ZINC001081865128 796926064 /nfs/dbraw/zinc/92/60/64/796926064.db2.gz YGFKMVAKHQQZDA-WOJBJXKFSA-N 1 2 349.434 2.116 20 30 EEEDLO C=CC1(CC(=O)N[C@@H](C)CCNC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001078752374 796927383 /nfs/dbraw/zinc/92/73/83/796927383.db2.gz MOCAMGXQVYEEJJ-HNNXBMFYSA-N 1 2 346.475 2.490 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001081948775 797031481 /nfs/dbraw/zinc/03/14/81/797031481.db2.gz MRDHSCGQSNMDFS-HOTGVXAUSA-N 1 2 332.448 2.298 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cn(C)nc2Cl)[C@@H]1C ZINC000993827828 797058925 /nfs/dbraw/zinc/05/89/25/797058925.db2.gz IYNHSQLQWNXPSU-AAEUAGOBSA-N 1 2 345.274 2.338 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cn(C)nc2Cl)[C@@H]1C ZINC000993827828 797058931 /nfs/dbraw/zinc/05/89/31/797058931.db2.gz IYNHSQLQWNXPSU-AAEUAGOBSA-N 1 2 345.274 2.338 20 30 EEEDLO Cc1nc(NCCCCCCNC(=O)Cc2[nH]cc[nH+]2)ccc1C#N ZINC001094967685 797137577 /nfs/dbraw/zinc/13/75/77/797137577.db2.gz OFFLENCILASHFG-UHFFFAOYSA-N 1 2 340.431 2.316 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](CCC)OCC)C1 ZINC001150125588 797187809 /nfs/dbraw/zinc/18/78/09/797187809.db2.gz YXEFUVSGGNGHMP-GJZGRUSLSA-N 1 2 332.872 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](CCC)OCC)C1 ZINC001150125588 797187813 /nfs/dbraw/zinc/18/78/13/797187813.db2.gz YXEFUVSGGNGHMP-GJZGRUSLSA-N 1 2 332.872 2.151 20 30 EEEDLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001082150598 797243140 /nfs/dbraw/zinc/24/31/40/797243140.db2.gz GYDSWYQWKKWUDA-MOIQIXESSA-N 1 2 345.418 2.059 20 30 EEEDLO CC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001082150598 797243145 /nfs/dbraw/zinc/24/31/45/797243145.db2.gz GYDSWYQWKKWUDA-MOIQIXESSA-N 1 2 345.418 2.059 20 30 EEEDLO C=C(C)[C@H](CC(=O)N1CC[C@@H](N(C)c2cc[nH+]c(C)n2)C1)OCC ZINC001095138644 797386676 /nfs/dbraw/zinc/38/66/76/797386676.db2.gz IIOSOUMYNJLWPE-CVEARBPZSA-N 1 2 332.448 2.193 20 30 EEEDLO C#CCOCCC(=O)N1CCC(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095238215 797572456 /nfs/dbraw/zinc/57/24/56/797572456.db2.gz JKTJPAQVSWPWEQ-UHFFFAOYSA-N 1 2 342.443 2.105 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC(OC)C2)C1 ZINC001046948443 797727195 /nfs/dbraw/zinc/72/71/95/797727195.db2.gz HPIGQFTXGUBTHE-CPCZMJQVSA-N 1 2 336.810 2.237 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC(OC)C2)C1 ZINC001046948443 797727197 /nfs/dbraw/zinc/72/71/97/797727197.db2.gz HPIGQFTXGUBTHE-CPCZMJQVSA-N 1 2 336.810 2.237 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2CC)[C@H](O)C1 ZINC001090391558 797767117 /nfs/dbraw/zinc/76/71/17/797767117.db2.gz DKSIUWHXAUAJME-HZPDHXFCSA-N 1 2 340.826 2.306 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2CC)[C@H](O)C1 ZINC001090391558 797767120 /nfs/dbraw/zinc/76/71/20/797767120.db2.gz DKSIUWHXAUAJME-HZPDHXFCSA-N 1 2 340.826 2.306 20 30 EEEDLO N#Cc1ccc(Cl)c(Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC001174492110 797769002 /nfs/dbraw/zinc/76/90/02/797769002.db2.gz LXLMBYXSZFFWKX-UHFFFAOYSA-N 1 2 331.807 2.484 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)C4CCCC4)[C@H]3C2)s1 ZINC001082974605 797780526 /nfs/dbraw/zinc/78/05/26/797780526.db2.gz AQLYKFABCLRCLQ-DLBZAZTESA-N 1 2 345.468 2.222 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C4CCCC4)[C@H]3C2)s1 ZINC001082974605 797780532 /nfs/dbraw/zinc/78/05/32/797780532.db2.gz AQLYKFABCLRCLQ-DLBZAZTESA-N 1 2 345.468 2.222 20 30 EEEDLO C[C@H](C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21)C1CC1 ZINC001083039068 797833862 /nfs/dbraw/zinc/83/38/62/797833862.db2.gz VPVYFCTUIDWDAI-AFAVFJNCSA-N 1 2 345.468 2.077 20 30 EEEDLO C[C@H](C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21)C1CC1 ZINC001083039068 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/nfs/dbraw/zinc/79/93/69/800799369.db2.gz VDAFZDSPEJHHKG-DZGCQCFKSA-N 1 2 348.447 2.009 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066279820 800800047 /nfs/dbraw/zinc/80/00/47/800800047.db2.gz ZOLOTGZDSPNRKR-BZUAXINKSA-N 1 2 344.459 2.367 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066279820 800800051 /nfs/dbraw/zinc/80/00/51/800800051.db2.gz ZOLOTGZDSPNRKR-BZUAXINKSA-N 1 2 344.459 2.367 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1csc([C@H]2CCCO2)n1 ZINC001085594810 800851579 /nfs/dbraw/zinc/85/15/79/800851579.db2.gz PYCAZIIJFCTIPV-UKRRQHHQSA-N 1 2 333.457 2.164 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1csc([C@H]2CCCO2)n1 ZINC001085594810 800851587 /nfs/dbraw/zinc/85/15/87/800851587.db2.gz PYCAZIIJFCTIPV-UKRRQHHQSA-N 1 2 333.457 2.164 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnc(C)s1 ZINC001085600452 800870144 /nfs/dbraw/zinc/87/01/44/800870144.db2.gz TWYSETVTVJTZFT-OIISXLGYSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnc(C)s1 ZINC001085600452 800870151 /nfs/dbraw/zinc/87/01/51/800870151.db2.gz TWYSETVTVJTZFT-OIISXLGYSA-N 1 2 349.500 2.465 20 30 EEEDLO Cc1nc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)co1 ZINC001033024739 800894898 /nfs/dbraw/zinc/89/48/98/800894898.db2.gz CTZRPJQKGFOLKX-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1nc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)co1 ZINC001033024739 800894909 /nfs/dbraw/zinc/89/49/09/800894909.db2.gz CTZRPJQKGFOLKX-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(CCCC)no2)C1 ZINC001182108376 801026327 /nfs/dbraw/zinc/02/63/27/801026327.db2.gz NHVUONAWHLHPEW-OAHLLOKOSA-N 1 2 332.448 2.296 20 30 EEEDLO CC(C)C#CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC001182414470 801169192 /nfs/dbraw/zinc/16/91/92/801169192.db2.gz NBCMPZLLNVMLNX-ZIAGYGMSSA-N 1 2 332.448 2.278 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)O1 ZINC001085826777 801368743 /nfs/dbraw/zinc/36/87/43/801368743.db2.gz XXIMCZAAIQZBFQ-XJKCOSOUSA-N 1 2 333.457 2.220 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)O1 ZINC001085826777 801368758 /nfs/dbraw/zinc/36/87/58/801368758.db2.gz XXIMCZAAIQZBFQ-XJKCOSOUSA-N 1 2 333.457 2.220 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CN(C)C(=O)[C@@H]2CC23CC3)cc1C#N ZINC001085841888 801412316 /nfs/dbraw/zinc/41/23/16/801412316.db2.gz KIGYWFHQHPHYJE-IRXDYDNUSA-N 1 2 339.439 2.400 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CN(C)C(=O)[C@@H]2CC23CC3)cc1C#N ZINC001085841888 801412320 /nfs/dbraw/zinc/41/23/20/801412320.db2.gz KIGYWFHQHPHYJE-IRXDYDNUSA-N 1 2 339.439 2.400 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC001108068771 801576126 /nfs/dbraw/zinc/57/61/26/801576126.db2.gz SOMBEERMKABPNO-FUHWJXTLSA-N 1 2 336.476 2.119 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC001108068771 801576130 /nfs/dbraw/zinc/57/61/30/801576130.db2.gz SOMBEERMKABPNO-FUHWJXTLSA-N 1 2 336.476 2.119 20 30 EEEDLO C[C@@H]1COCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183839998 801767876 /nfs/dbraw/zinc/76/78/76/801767876.db2.gz BNVVYLHEXKJJCW-LZQZEXGQSA-N 1 2 341.455 2.454 20 30 EEEDLO C[C@@H]1COCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183839998 801767881 /nfs/dbraw/zinc/76/78/81/801767881.db2.gz BNVVYLHEXKJJCW-LZQZEXGQSA-N 1 2 341.455 2.454 20 30 EEEDLO CC(C)Cn1nccc1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004445810 802060659 /nfs/dbraw/zinc/06/06/59/802060659.db2.gz IGXNYNSALHXPFS-QGZVFWFLSA-N 1 2 343.475 2.379 20 30 EEEDLO CC(C)Cn1nccc1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004445810 802060663 /nfs/dbraw/zinc/06/06/63/802060663.db2.gz IGXNYNSALHXPFS-QGZVFWFLSA-N 1 2 343.475 2.379 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N2CCC([C@H]3CCCN3CC#N)CC2)c[nH+]1 ZINC001004469792 802156019 /nfs/dbraw/zinc/15/60/19/802156019.db2.gz PFWYDYKKTPXZRG-QGZVFWFLSA-N 1 2 343.475 2.153 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)cn1 ZINC001004469792 802156024 /nfs/dbraw/zinc/15/60/24/802156024.db2.gz PFWYDYKKTPXZRG-QGZVFWFLSA-N 1 2 343.475 2.153 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)cn1 ZINC001004469792 802156025 /nfs/dbraw/zinc/15/60/25/802156025.db2.gz PFWYDYKKTPXZRG-QGZVFWFLSA-N 1 2 343.475 2.153 20 30 EEEDLO C#CCCCCCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001184890521 802230555 /nfs/dbraw/zinc/23/05/55/802230555.db2.gz RHEVEYMLHZJNGD-OAHLLOKOSA-N 1 2 330.432 2.221 20 30 EEEDLO Cc1ncccc1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004548075 802348817 /nfs/dbraw/zinc/34/88/17/802348817.db2.gz PLKKWIDGVVLCSQ-SFHVURJKSA-N 1 2 326.444 2.159 20 30 EEEDLO Cc1ncccc1CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004548075 802348824 /nfs/dbraw/zinc/34/88/24/802348824.db2.gz PLKKWIDGVVLCSQ-SFHVURJKSA-N 1 2 326.444 2.159 20 30 EEEDLO Cc1nc(NC[C@H]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)CC2)cc[nH+]1 ZINC001066427252 802379142 /nfs/dbraw/zinc/37/91/42/802379142.db2.gz DRDNAJWQRLCELV-CTYIDZIISA-N 1 2 338.415 2.386 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2Cc3cccnc3C2)CC1 ZINC001004599537 802457800 /nfs/dbraw/zinc/45/78/00/802457800.db2.gz HZJGFQFXKNUBLM-HKUYNNGSSA-N 1 2 338.455 2.023 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2Cc3cccnc3C2)CC1 ZINC001004599537 802457804 /nfs/dbraw/zinc/45/78/04/802457804.db2.gz HZJGFQFXKNUBLM-HKUYNNGSSA-N 1 2 338.455 2.023 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cncnc2C2CC2)CC1 ZINC001004610986 802479692 /nfs/dbraw/zinc/47/96/92/802479692.db2.gz UMZZRXWEADMVBI-KRWDZBQOSA-N 1 2 339.443 2.194 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cncnc2C2CC2)CC1 ZINC001004610986 802479696 /nfs/dbraw/zinc/47/96/96/802479696.db2.gz UMZZRXWEADMVBI-KRWDZBQOSA-N 1 2 339.443 2.194 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccnc3ccccc32)[C@H](O)C1 ZINC001090407734 802501673 /nfs/dbraw/zinc/50/16/73/802501673.db2.gz RNUCUBSYQCKSBF-IAGOWNOFSA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccnc3ccccc32)[C@H](O)C1 ZINC001090407734 802501679 /nfs/dbraw/zinc/50/16/79/802501679.db2.gz RNUCUBSYQCKSBF-IAGOWNOFSA-N 1 2 345.830 2.152 20 30 EEEDLO C=C1CCC(C(=O)N[C@H](C)CNc2[nH+]cnc3c2cnn3C)CC1 ZINC001108084367 802788328 /nfs/dbraw/zinc/78/83/28/802788328.db2.gz JHVXJAGLJMLLAS-GFCCVEGCSA-N 1 2 328.420 2.026 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NCC[NH2+][C@H](C)c1nc(C2CC2)no1)OCC ZINC001128539884 802846490 /nfs/dbraw/zinc/84/64/90/802846490.db2.gz MQVSTAGGQYQOJG-TZMCWYRMSA-N 1 2 336.436 2.085 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)c(F)c2)[C@H](O)C1 ZINC001090415266 803214183 /nfs/dbraw/zinc/21/41/83/803214183.db2.gz ZGDISTDUWYGVLH-HUUCEWRRSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c(F)c2)[C@H](O)C1 ZINC001090415266 803214186 /nfs/dbraw/zinc/21/41/86/803214186.db2.gz ZGDISTDUWYGVLH-HUUCEWRRSA-N 1 2 326.799 2.052 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2c(C)nn(C(C)C)c2C)C1 ZINC001108334685 803309645 /nfs/dbraw/zinc/30/96/45/803309645.db2.gz QPXRTKYHOHMGBV-IBGZPJMESA-N 1 2 348.491 2.016 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2c(C)nn(C(C)C)c2C)C1 ZINC001108334685 803309653 /nfs/dbraw/zinc/30/96/53/803309653.db2.gz QPXRTKYHOHMGBV-IBGZPJMESA-N 1 2 348.491 2.016 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)COc2ccc(C)c(C)c2)C1 ZINC001108393081 803441171 /nfs/dbraw/zinc/44/11/71/803441171.db2.gz IGJLPAVCSOFPHT-IBGZPJMESA-N 1 2 332.444 2.075 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)COc2ccc(C)c(C)c2)C1 ZINC001108393081 803441173 /nfs/dbraw/zinc/44/11/73/803441173.db2.gz IGJLPAVCSOFPHT-IBGZPJMESA-N 1 2 332.444 2.075 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2cccc(OC(C)C)c2)C1 ZINC001108432080 803553117 /nfs/dbraw/zinc/55/31/17/803553117.db2.gz BPUNLHOOJKEBCO-FQEVSTJZSA-N 1 2 346.471 2.409 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2cccc(OC(C)C)c2)C1 ZINC001108432080 803553119 /nfs/dbraw/zinc/55/31/19/803553119.db2.gz BPUNLHOOJKEBCO-FQEVSTJZSA-N 1 2 346.471 2.409 20 30 EEEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168975062 803557686 /nfs/dbraw/zinc/55/76/86/803557686.db2.gz UIBYEEHRYWDEHJ-BBWFWOEESA-N 1 2 332.400 2.362 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@@H](CCCC)C(C)C)CC2=O)C1 ZINC001108591642 804261833 /nfs/dbraw/zinc/26/18/33/804261833.db2.gz AJTRYPCFPNNNKN-AEFFLSMTSA-N 1 2 349.519 2.426 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C3(CC=C)CCCCC3)CC2=O)C1 ZINC001108592609 804263993 /nfs/dbraw/zinc/26/39/93/804263993.db2.gz ZDZPLNMTLMDJRF-MRXNPFEDSA-N 1 2 345.487 2.100 20 30 EEEDLO CSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001108904822 804668854 /nfs/dbraw/zinc/66/88/54/804668854.db2.gz SBZNTVKLULGKCS-KBMXLJTQSA-N 1 2 333.432 2.282 20 30 EEEDLO CSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001108904822 804668857 /nfs/dbraw/zinc/66/88/57/804668857.db2.gz SBZNTVKLULGKCS-KBMXLJTQSA-N 1 2 333.432 2.282 20 30 EEEDLO Cc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)(C)C)C3)cn1 ZINC001109261066 805207514 /nfs/dbraw/zinc/20/75/14/805207514.db2.gz RXWSVHBJEQRQAO-IKGGRYGDSA-N 1 2 326.444 2.056 20 30 EEEDLO Cc1ncc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)(C)C)C3)cn1 ZINC001109261066 805207520 /nfs/dbraw/zinc/20/75/20/805207520.db2.gz RXWSVHBJEQRQAO-IKGGRYGDSA-N 1 2 326.444 2.056 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C(C)C ZINC001109338184 805320802 /nfs/dbraw/zinc/32/08/02/805320802.db2.gz KPUJGVNTKOUOGS-NCOADZHNSA-N 1 2 349.519 2.471 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C(C)C ZINC001109338184 805320811 /nfs/dbraw/zinc/32/08/11/805320811.db2.gz KPUJGVNTKOUOGS-NCOADZHNSA-N 1 2 349.519 2.471 20 30 EEEDLO C=CCCCC(=O)N(CCO)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001111549523 805455543 /nfs/dbraw/zinc/45/55/43/805455543.db2.gz VIFVBOISUBRJKK-UHFFFAOYSA-N 1 2 346.475 2.253 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](CCc2ccccc2F)CC1 ZINC001112676255 806990908 /nfs/dbraw/zinc/99/09/08/806990908.db2.gz HNCJQJUUKRXFEM-INIZCTEOSA-N 1 2 334.435 2.494 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001112845139 807400979 /nfs/dbraw/zinc/40/09/79/807400979.db2.gz WFQVZWMVPQJHBV-QGZVFWFLSA-N 1 2 328.456 2.493 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC001112846122 807403107 /nfs/dbraw/zinc/40/31/07/807403107.db2.gz GITRLRSSQYJDOU-QAPCUYQASA-N 1 2 332.419 2.459 20 30 EEEDLO C=C(C)CCC(=O)NC1CC(CNc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001112855694 807454662 /nfs/dbraw/zinc/45/46/62/807454662.db2.gz GQRVMUFZQCGHCT-UHFFFAOYSA-N 1 2 343.475 2.128 20 30 EEEDLO C=C(C)CCC(=O)NC1CC(CNc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001112855694 807454665 /nfs/dbraw/zinc/45/46/65/807454665.db2.gz GQRVMUFZQCGHCT-UHFFFAOYSA-N 1 2 343.475 2.128 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccnn2C)C1 ZINC001086579280 808162865 /nfs/dbraw/zinc/16/28/65/808162865.db2.gz UVKTYJWLQFPSDH-JKSUJKDBSA-N 1 2 344.846 2.370 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccnn2C)C1 ZINC001086579280 808162868 /nfs/dbraw/zinc/16/28/68/808162868.db2.gz UVKTYJWLQFPSDH-JKSUJKDBSA-N 1 2 344.846 2.370 20 30 EEEDLO C=CCC1(C(=O)N[C@@H](C)[C@@H](C)Nc2cc[nH+]c(C)n2)CCOCC1 ZINC001113116392 808165651 /nfs/dbraw/zinc/16/56/51/808165651.db2.gz HSDKSWXEANHQAL-KGLIPLIRSA-N 1 2 332.448 2.463 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001113193304 808398718 /nfs/dbraw/zinc/39/87/18/808398718.db2.gz GVYNDTKIPTWKDO-UONOGXRCSA-N 1 2 331.464 2.126 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001113193304 808398727 /nfs/dbraw/zinc/39/87/27/808398727.db2.gz GVYNDTKIPTWKDO-UONOGXRCSA-N 1 2 331.464 2.126 20 30 EEEDLO C=CCCCC(=O)N[C@H](C)[C@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001113296302 808650176 /nfs/dbraw/zinc/65/01/76/808650176.db2.gz KDYFDBJRTPCSQG-KGLIPLIRSA-N 1 2 331.464 2.126 20 30 EEEDLO C=CCCCC(=O)N[C@H](C)[C@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001113296302 808650182 /nfs/dbraw/zinc/65/01/82/808650182.db2.gz KDYFDBJRTPCSQG-KGLIPLIRSA-N 1 2 331.464 2.126 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)C2(c3cccc(F)c3)CC2)CC1 ZINC001113399122 808897708 /nfs/dbraw/zinc/89/77/08/808897708.db2.gz QXMVWDDJUDHGTR-UHFFFAOYSA-N 1 2 332.419 2.204 20 30 EEEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[NH+](Cc2csc(C)c2)CC1 ZINC001113410344 808926825 /nfs/dbraw/zinc/92/68/25/808926825.db2.gz XVIWHQNFKMEQTP-KRWDZBQOSA-N 1 2 349.500 2.172 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)CC(C)(C)CNc2cc[nH+]c(C)n2)cn1 ZINC001113431635 808963054 /nfs/dbraw/zinc/96/30/54/808963054.db2.gz NDXGJYVYCBKSPM-UHFFFAOYSA-N 1 2 337.427 2.372 20 30 EEEDLO Cc1cc(N(C)[C@H](C)CNC(=O)c2c[nH]c(C#N)c2)nc(C2CC2)[nH+]1 ZINC001113562877 809233888 /nfs/dbraw/zinc/23/38/88/809233888.db2.gz XNGGQVXHPDYNBK-GFCCVEGCSA-N 1 2 338.415 2.117 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1 ZINC001113566588 809258893 /nfs/dbraw/zinc/25/88/93/809258893.db2.gz JPZFDZPRWXGKSD-UHFFFAOYSA-N 1 2 329.400 2.097 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@]2(c3ccccc3)CCCO2)CC1 ZINC001113580184 809266497 /nfs/dbraw/zinc/26/64/97/809266497.db2.gz GDWNFEZQCMJFCR-FQEVSTJZSA-N 1 2 344.455 2.039 20 30 EEEDLO Cc1ccc(C#N)c(N(C)[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC001113902932 810040214 /nfs/dbraw/zinc/04/02/14/810040214.db2.gz QYDXMLIIWJQKEQ-LSDHHAIUSA-N 1 2 340.431 2.050 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(C(C)(C)C)n3)C[C@H]21 ZINC001114051415 810242454 /nfs/dbraw/zinc/24/24/54/810242454.db2.gz VATFGMKDXJOJDG-FOLVSLTJSA-N 1 2 349.500 2.190 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(C(C)(C)C)n3)C[C@H]21 ZINC001114051415 810242457 /nfs/dbraw/zinc/24/24/57/810242457.db2.gz VATFGMKDXJOJDG-FOLVSLTJSA-N 1 2 349.500 2.190 20 30 EEEDLO C=CC[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)c1ccncc1 ZINC000806819186 812001830 /nfs/dbraw/zinc/00/18/30/812001830.db2.gz NEYWJUHYYZKLKL-NXHRZFHOSA-N 1 2 344.459 2.203 20 30 EEEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@](C)(CC)CCC)CC1 ZINC001131391473 812779233 /nfs/dbraw/zinc/77/92/33/812779233.db2.gz VOZCAOFRCBZPJS-IBGZPJMESA-N 1 2 337.508 2.429 20 30 EEEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@](C)(CC)CCC)CC1 ZINC001131391473 812779240 /nfs/dbraw/zinc/77/92/40/812779240.db2.gz VOZCAOFRCBZPJS-IBGZPJMESA-N 1 2 337.508 2.429 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1cncs1 ZINC001437683442 1090221105 /nfs/dbraw/zinc/22/11/05/1090221105.db2.gz XRIKUNQWDDCMPG-NSHDSACASA-N 1 2 344.278 2.175 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)Cc1cncs1 ZINC001437683442 1090221108 /nfs/dbraw/zinc/22/11/08/1090221108.db2.gz XRIKUNQWDDCMPG-NSHDSACASA-N 1 2 344.278 2.175 20 30 EEEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)[C@@H](C)C(C)(F)F)CC1 ZINC001437957248 1090554431 /nfs/dbraw/zinc/55/44/31/1090554431.db2.gz GIBBEILRNBTZHY-CYBMUJFWSA-N 1 2 337.842 2.106 20 30 EEEDLO CC(F)(F)CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001441109044 1094421139 /nfs/dbraw/zinc/42/11/39/1094421139.db2.gz FCUGNRVJUUNFFC-CYBMUJFWSA-N 1 2 325.334 2.433 20 30 EEEDLO CC(F)(F)CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001441109044 1094421142 /nfs/dbraw/zinc/42/11/42/1094421142.db2.gz FCUGNRVJUUNFFC-CYBMUJFWSA-N 1 2 325.334 2.433 20 30 EEEDLO C[N@H+](CCNC(=O)c1ncc(F)cc1F)Cc1ccc(C#N)cc1F ZINC001442425510 1096750765 /nfs/dbraw/zinc/75/07/65/1096750765.db2.gz FAEMJXZHCOCLTF-UHFFFAOYSA-N 1 2 348.328 2.232 20 30 EEEDLO C[N@@H+](CCNC(=O)c1ncc(F)cc1F)Cc1ccc(C#N)cc1F ZINC001442425510 1096750774 /nfs/dbraw/zinc/75/07/74/1096750774.db2.gz FAEMJXZHCOCLTF-UHFFFAOYSA-N 1 2 348.328 2.232 20 30 EEEDLO Cc1ccncc1CC(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001443588720 1098080631 /nfs/dbraw/zinc/08/06/31/1098080631.db2.gz NZRALVYCEVCKHK-UHFFFAOYSA-N 1 2 340.452 2.114 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)CC[C@@H]2CCCCO2)C1 ZINC001443617659 1098113845 /nfs/dbraw/zinc/11/38/45/1098113845.db2.gz DWDANAVWFWZRSF-IBGZPJMESA-N 1 2 341.455 2.456 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CCc2cc(OC)no2)C1 ZINC001443863001 1098387241 /nfs/dbraw/zinc/38/72/41/1098387241.db2.gz JQXQTJIUGZKHCR-CYBMUJFWSA-N 1 2 341.839 2.291 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCc2cc(OC)no2)C1 ZINC001443863001 1098387246 /nfs/dbraw/zinc/38/72/46/1098387246.db2.gz JQXQTJIUGZKHCR-CYBMUJFWSA-N 1 2 341.839 2.291 20 30 EEEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)c1ccn(C)c1 ZINC001496685137 1101284029 /nfs/dbraw/zinc/28/40/29/1101284029.db2.gz OOOYJMBSSMDBDY-UHFFFAOYSA-N 1 2 328.391 2.240 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)c1ccn(C)c1 ZINC001496685137 1101284032 /nfs/dbraw/zinc/28/40/32/1101284032.db2.gz OOOYJMBSSMDBDY-UHFFFAOYSA-N 1 2 328.391 2.240 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)CCCC(=O)N(C)C)C1 ZINC001493973725 1103235000 /nfs/dbraw/zinc/23/50/00/1103235000.db2.gz MLSIFJINZDAJPK-HNNXBMFYSA-N 1 2 343.899 2.310 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)CCCC(=O)N(C)C)C1 ZINC001493973725 1103235011 /nfs/dbraw/zinc/23/50/11/1103235011.db2.gz MLSIFJINZDAJPK-HNNXBMFYSA-N 1 2 343.899 2.310 20 30 EEEDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC001473685366 1110578617 /nfs/dbraw/zinc/57/86/17/1110578617.db2.gz UYEFAQFRDFGKCE-HWPZZCPQSA-N 1 2 336.351 2.282 20 30 EEEDLO C=CCC[C@@H]1CCCN1c1nnc(Cc2[nH+]ccn2C)n1CCOC ZINC001514747193 1118860515 /nfs/dbraw/zinc/86/05/15/1118860515.db2.gz HHYMPTUHTXFXMJ-OAHLLOKOSA-N 1 2 344.463 2.184 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(CC)CC(C)C ZINC001520360487 1119149722 /nfs/dbraw/zinc/14/97/22/1119149722.db2.gz GXFYABJRDBDEJZ-UHFFFAOYSA-N 1 2 335.496 2.151 20 30 EEEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC=CCC1 ZINC001524369604 1120079388 /nfs/dbraw/zinc/07/93/88/1120079388.db2.gz WZSLDORBBGEJAO-MRXNPFEDSA-N 1 2 331.464 2.402 20 30 EEEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC=CCC1 ZINC001524369604 1120079393 /nfs/dbraw/zinc/07/93/93/1120079393.db2.gz WZSLDORBBGEJAO-MRXNPFEDSA-N 1 2 331.464 2.402 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1cccc2nccn21 ZINC001568489509 1124547033 /nfs/dbraw/zinc/54/70/33/1124547033.db2.gz FYDZJOIXQXBYFW-UHFFFAOYSA-N 1 2 347.422 2.410 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1cccc2nccn21 ZINC001568489509 1124547047 /nfs/dbraw/zinc/54/70/47/1124547047.db2.gz FYDZJOIXQXBYFW-UHFFFAOYSA-N 1 2 347.422 2.410 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCc4cccnc43)CC2)cc1 ZINC000329273726 539770283 /nfs/dbraw/zinc/77/02/83/539770283.db2.gz IEVJNBHYTHWXTN-IBGZPJMESA-N 1 2 346.434 2.327 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CCc4cc(F)ccc4C3)C2=O)cc1 ZINC000131340367 283151938 /nfs/dbraw/zinc/15/19/38/283151938.db2.gz FTSSWUBBSIHIDC-GOSISDBHSA-N 1 2 349.365 2.388 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCc4cc(F)ccc4C3)C2=O)cc1 ZINC000131340367 283151941 /nfs/dbraw/zinc/15/19/41/283151941.db2.gz FTSSWUBBSIHIDC-GOSISDBHSA-N 1 2 349.365 2.388 20 30 EEEDLO COc1ccc(N2CC[NH+](Cc3cccc(C#N)c3F)CC2)nc1 ZINC000452062679 243340875 /nfs/dbraw/zinc/34/08/75/243340875.db2.gz YZHURTUOGHTDAZ-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C=CCC[C@H](NC(=O)Cn1c(C)[nH+]c2ccccc21)C(=O)OCC ZINC000456631060 244308409 /nfs/dbraw/zinc/30/84/09/244308409.db2.gz RNPIDKYMENOMJE-HNNXBMFYSA-N 1 2 329.400 2.359 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H](O)c2ccc(Cl)cc2)n1 ZINC000491623572 246086874 /nfs/dbraw/zinc/08/68/74/246086874.db2.gz GEJHFFLQRHNZLA-GOSISDBHSA-N 1 2 347.846 2.352 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H](O)c2ccc(Cl)cc2)n1 ZINC000491623572 246086878 /nfs/dbraw/zinc/08/68/78/246086878.db2.gz GEJHFFLQRHNZLA-GOSISDBHSA-N 1 2 347.846 2.352 20 30 EEEDLO C=CCc1cc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc(OC)c1O ZINC000092703147 218158610 /nfs/dbraw/zinc/15/86/10/218158610.db2.gz ZQXIVCIGFOCLPF-HOTGVXAUSA-N 1 2 330.428 2.372 20 30 EEEDLO C=CCc1cc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc(OC)c1O ZINC000092703147 218158612 /nfs/dbraw/zinc/15/86/12/218158612.db2.gz ZQXIVCIGFOCLPF-HOTGVXAUSA-N 1 2 330.428 2.372 20 30 EEEDLO N#Cc1ccc(NCc2cccc(OCC[NH+]3CCOCC3)c2)cn1 ZINC000267334523 256049762 /nfs/dbraw/zinc/04/97/62/256049762.db2.gz CIAAPDIZKWQNGA-UHFFFAOYSA-N 1 2 338.411 2.276 20 30 EEEDLO C#C[C@H](CCC)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000491695209 533310923 /nfs/dbraw/zinc/31/09/23/533310923.db2.gz XAEBTJAFDBUITB-QZTJIDSGSA-N 1 2 329.444 2.161 20 30 EEEDLO C#C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccc(F)cc1 ZINC000491554012 533325184 /nfs/dbraw/zinc/32/51/84/533325184.db2.gz FQPUCHVUGXTBAN-QGTPRVQTSA-N 1 2 345.418 2.005 20 30 EEEDLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1C ZINC000249056483 160372162 /nfs/dbraw/zinc/37/21/62/160372162.db2.gz IYHFKYLEVJMXFP-KCQAQPDRSA-N 1 2 329.400 2.016 20 30 EEEDLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1C ZINC000249056483 160372165 /nfs/dbraw/zinc/37/21/65/160372165.db2.gz IYHFKYLEVJMXFP-KCQAQPDRSA-N 1 2 329.400 2.016 20 30 EEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000185203313 160030488 /nfs/dbraw/zinc/03/04/88/160030488.db2.gz OXSBMSLVHXYGPD-UHFFFAOYSA-N 1 2 346.799 2.338 20 30 EEEDLO Cc1cccc(NC(=O)C[NH+]2CCN(c3ccnc(C#N)c3)CC2)c1C ZINC000341375308 160985075 /nfs/dbraw/zinc/98/50/75/160985075.db2.gz NFZRJLLNGUREOP-UHFFFAOYSA-N 1 2 349.438 2.331 20 30 EEEDLO Cc1noc(C2(C)CC[NH+](CC(=O)Nc3sccc3C#N)CC2)n1 ZINC000364693877 165237705 /nfs/dbraw/zinc/23/77/05/165237705.db2.gz FEXFCYYASLWAKR-UHFFFAOYSA-N 1 2 345.428 2.303 20 30 EEEDLO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(C#N)cc1OC(F)F ZINC000437419605 270020325 /nfs/dbraw/zinc/02/03/25/270020325.db2.gz JZBQEFWQHSTWMR-UHFFFAOYSA-N 1 2 325.359 2.460 20 30 EEEDLO CCC[N@@H+](CC(=O)N(C)C)Cc1ccc(C#N)cc1OC(F)F ZINC000437419605 270020326 /nfs/dbraw/zinc/02/03/26/270020326.db2.gz JZBQEFWQHSTWMR-UHFFFAOYSA-N 1 2 325.359 2.460 20 30 EEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000298430213 267010260 /nfs/dbraw/zinc/01/02/60/267010260.db2.gz NEUAABFPHJEQGV-MRXNPFEDSA-N 1 2 326.444 2.081 20 30 EEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000301142813 267131100 /nfs/dbraw/zinc/13/11/00/267131100.db2.gz JIKDCJDLKVUGRD-CQSZACIVSA-N 1 2 344.434 2.267 20 30 EEEDLO Cc1cc(S(=O)(=O)Nc2ccn(-c3cc[nH+]cc3)n2)ccc1C#N ZINC000435732970 268019797 /nfs/dbraw/zinc/01/97/97/268019797.db2.gz SNTLLYZZAGZMML-UHFFFAOYSA-N 1 2 339.380 2.248 20 30 EEEDLO Cc1ccc([C@H]2COCC[N@@H+]2C[C@H](O)COc2ccccc2C#N)o1 ZINC000528385067 268045867 /nfs/dbraw/zinc/04/58/67/268045867.db2.gz VVZYDJWNTKKOKD-DLBZAZTESA-N 1 2 342.395 2.273 20 30 EEEDLO Cc1ccc([C@H]2COCC[N@H+]2C[C@H](O)COc2ccccc2C#N)o1 ZINC000528385067 268045869 /nfs/dbraw/zinc/04/58/69/268045869.db2.gz VVZYDJWNTKKOKD-DLBZAZTESA-N 1 2 342.395 2.273 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c(OC(F)F)c1 ZINC000437414319 268217165 /nfs/dbraw/zinc/21/71/65/268217165.db2.gz QTYDXLUTKAKVFC-CQSZACIVSA-N 1 2 335.354 2.403 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)c(OC(F)F)c1 ZINC000437414319 268217166 /nfs/dbraw/zinc/21/71/66/268217166.db2.gz QTYDXLUTKAKVFC-CQSZACIVSA-N 1 2 335.354 2.403 20 30 EEEDLO N#Cc1cccc([N+](=O)[O-])c1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000425213320 268294111 /nfs/dbraw/zinc/29/41/11/268294111.db2.gz GSDFLSDXMJHJOH-MRXNPFEDSA-N 1 2 348.428 2.086 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NOC/C=C/Cl)CC2)cc1 ZINC000292200532 275392948 /nfs/dbraw/zinc/39/29/48/275392948.db2.gz CIKUEDFOJLYPEB-LZCJLJQNSA-N 1 2 334.807 2.070 20 30 EEEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451376480 278078882 /nfs/dbraw/zinc/07/88/82/278078882.db2.gz WVGKRJLHTMQMAD-VXGBXAGGSA-N 1 2 341.864 2.119 20 30 EEEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451376480 278078885 /nfs/dbraw/zinc/07/88/85/278078885.db2.gz WVGKRJLHTMQMAD-VXGBXAGGSA-N 1 2 341.864 2.119 20 30 EEEDLO CN1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)c2ccc[nH+]c21 ZINC000356408098 290051593 /nfs/dbraw/zinc/05/15/93/290051593.db2.gz ARXSOXDZIDEJPA-UHFFFAOYSA-N 1 2 348.815 2.252 20 30 EEEDLO COc1ccccc1[C@@H](CO)[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000541983966 318119837 /nfs/dbraw/zinc/11/98/37/318119837.db2.gz LCGMHCPVVVKOMC-OAHLLOKOSA-N 1 2 343.383 2.038 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)c(F)c1 ZINC000574524383 320033461 /nfs/dbraw/zinc/03/34/61/320033461.db2.gz BLPIKLNJEKVOSJ-UHFFFAOYSA-N 1 2 343.406 2.070 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CCCc3c1cnn3C)CCC2 ZINC000328640034 465084953 /nfs/dbraw/zinc/08/49/53/465084953.db2.gz CIGKTIHLFFYUAU-ZFWWWQNUSA-N 1 2 342.447 2.384 20 30 EEEDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)NCc3ccc(Cl)s3)CC[C@@H]21 ZINC000329014672 465203226 /nfs/dbraw/zinc/20/32/26/465203226.db2.gz JMXFTPLNOSTIFN-MNOVXSKESA-N 1 2 342.852 2.160 20 30 EEEDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)NCc3ccc(Cl)s3)CC[C@@H]21 ZINC000329014672 465203229 /nfs/dbraw/zinc/20/32/29/465203229.db2.gz JMXFTPLNOSTIFN-MNOVXSKESA-N 1 2 342.852 2.160 20 30 EEEDLO CC(C)(CNc1ncc(Br)cc1C#N)[NH+]1CCOCC1 ZINC000296655407 465229538 /nfs/dbraw/zinc/22/95/38/465229538.db2.gz XVIDOULJEWOHEF-UHFFFAOYSA-N 1 2 339.237 2.238 20 30 EEEDLO O=C(Nc1ccc2c(c1F)CCNC2=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000329121294 465240377 /nfs/dbraw/zinc/24/03/77/465240377.db2.gz KMEVOXQUFRXBJL-JTQLQIEISA-N 1 2 343.362 2.224 20 30 EEEDLO C=CCN1CC[C@H](N2CCc3c([nH+]cn3-c3ccc(C)cc3)C2)C1=O ZINC000337206209 465242178 /nfs/dbraw/zinc/24/21/78/465242178.db2.gz MBZGFBOJGLXBCQ-IBGZPJMESA-N 1 2 336.439 2.326 20 30 EEEDLO C=CCN1CC[C@@H]([NH2+][C@H](CO)c2c(Cl)cccc2Cl)C1=O ZINC000337261674 465273798 /nfs/dbraw/zinc/27/37/98/465273798.db2.gz WHFOTHNNNVQEBL-CHWSQXEVSA-N 1 2 329.227 2.403 20 30 EEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000342291957 465308500 /nfs/dbraw/zinc/30/85/00/465308500.db2.gz RSRSSYLCWJDFQH-BHIYHBOVSA-N 1 2 341.455 2.081 20 30 EEEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NC(=O)NC3CCCCC3)C2)[nH]1 ZINC000329446743 465336966 /nfs/dbraw/zinc/33/69/66/465336966.db2.gz MAEFRYKAAHMYFB-CYBMUJFWSA-N 1 2 348.451 2.496 20 30 EEEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NC(=O)NC3CCCCC3)C2)[nH]1 ZINC000329446743 465336971 /nfs/dbraw/zinc/33/69/71/465336971.db2.gz MAEFRYKAAHMYFB-CYBMUJFWSA-N 1 2 348.451 2.496 20 30 EEEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)NC(=O)NC3CCCCC3)C2)n1 ZINC000329446743 465336975 /nfs/dbraw/zinc/33/69/75/465336975.db2.gz MAEFRYKAAHMYFB-CYBMUJFWSA-N 1 2 348.451 2.496 20 30 EEEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)NC(=O)NC3CCCCC3)C2)n1 ZINC000329446743 465336982 /nfs/dbraw/zinc/33/69/82/465336982.db2.gz MAEFRYKAAHMYFB-CYBMUJFWSA-N 1 2 348.451 2.496 20 30 EEEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)NC(=O)NC3CCCCC3)C2)n[nH]1 ZINC000329446743 465336986 /nfs/dbraw/zinc/33/69/86/465336986.db2.gz MAEFRYKAAHMYFB-CYBMUJFWSA-N 1 2 348.451 2.496 20 30 EEEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NC(=O)NC3CCCCC3)C2)n[nH]1 ZINC000329446743 465336992 /nfs/dbraw/zinc/33/69/92/465336992.db2.gz MAEFRYKAAHMYFB-CYBMUJFWSA-N 1 2 348.451 2.496 20 30 EEEDLO Cn1c2ccccc2[nH+]c1N1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000329720035 465415026 /nfs/dbraw/zinc/41/50/26/465415026.db2.gz MRLVEWCQIGCOLA-MRXNPFEDSA-N 1 2 328.416 2.270 20 30 EEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cn[nH]c2)cc1 ZINC000085825537 462562651 /nfs/dbraw/zinc/56/26/51/462562651.db2.gz ASGVSXJTKGZWDH-UHFFFAOYSA-N 1 2 341.415 2.187 20 30 EEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cn[nH]c2)cc1 ZINC000085825537 462562655 /nfs/dbraw/zinc/56/26/55/462562655.db2.gz ASGVSXJTKGZWDH-UHFFFAOYSA-N 1 2 341.415 2.187 20 30 EEEDLO CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C#N)cc2)c[nH+]1 ZINC000060757198 462565103 /nfs/dbraw/zinc/56/51/03/462565103.db2.gz UPICGKQIYSGKRH-UHFFFAOYSA-N 1 2 344.440 2.278 20 30 EEEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000088758009 462643783 /nfs/dbraw/zinc/64/37/83/462643783.db2.gz NZMUPFXNLMPLIB-CQSZACIVSA-N 1 2 346.862 2.345 20 30 EEEDLO CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000128694014 462662905 /nfs/dbraw/zinc/66/29/05/462662905.db2.gz CLPSTBDRFICYRW-KRWDZBQOSA-N 1 2 335.411 2.374 20 30 EEEDLO C#CCCCCNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000129218312 462696012 /nfs/dbraw/zinc/69/60/12/462696012.db2.gz ZSHJHVQZUPIVON-LJQANCHMSA-N 1 2 343.471 2.033 20 30 EEEDLO N#Cc1ccc(OCc2ccc(C(=O)NCCn3cc[nH+]c3)o2)cc1 ZINC000076124807 462812470 /nfs/dbraw/zinc/81/24/70/462812470.db2.gz PVLMYCDEHLWLDI-UHFFFAOYSA-N 1 2 336.351 2.357 20 30 EEEDLO CC#CCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000155039232 462839055 /nfs/dbraw/zinc/83/90/55/462839055.db2.gz STLXGGLBQUIIGL-UHFFFAOYSA-N 1 2 326.849 2.060 20 30 EEEDLO C[C@@H]1CCCN(C(=O)C[NH+]2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000048041535 462852498 /nfs/dbraw/zinc/85/24/98/462852498.db2.gz HXGLNANVTDQIGW-OAHLLOKOSA-N 1 2 344.434 2.078 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000155915800 462958563 /nfs/dbraw/zinc/95/85/63/462958563.db2.gz YOGMOJIUOMHSLK-UHFFFAOYSA-N 1 2 340.349 2.067 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000155915800 462958572 /nfs/dbraw/zinc/95/85/72/462958572.db2.gz YOGMOJIUOMHSLK-UHFFFAOYSA-N 1 2 340.349 2.067 20 30 EEEDLO COCC[NH+](CCOC)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000051372346 463034050 /nfs/dbraw/zinc/03/40/50/463034050.db2.gz AVZVPBJZJVBEON-UHFFFAOYSA-N 1 2 347.459 2.145 20 30 EEEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000134539020 463053309 /nfs/dbraw/zinc/05/33/09/463053309.db2.gz KPZSZHYAEOWVQL-UHFFFAOYSA-N 1 2 338.820 2.119 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COc3ccsc3)CC2)cc1 ZINC000579260472 468334494 /nfs/dbraw/zinc/33/44/94/468334494.db2.gz WSWDVFNZTCXWEE-UHFFFAOYSA-N 1 2 341.436 2.343 20 30 EEEDLO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000078269224 463097710 /nfs/dbraw/zinc/09/77/10/463097710.db2.gz PDWROHIECZYFHC-DOTOQJQBSA-N 1 2 328.460 2.172 20 30 EEEDLO CC[N@@H+](CC(=O)N(C)Cc1ccc(OC)c(OC)c1)C[C@H](C)C#N ZINC000157623271 463150478 /nfs/dbraw/zinc/15/04/78/463150478.db2.gz YWPDDLLQACUXQW-CQSZACIVSA-N 1 2 333.432 2.144 20 30 EEEDLO CC[N@H+](CC(=O)N(C)Cc1ccc(OC)c(OC)c1)C[C@H](C)C#N ZINC000157623271 463150481 /nfs/dbraw/zinc/15/04/81/463150481.db2.gz YWPDDLLQACUXQW-CQSZACIVSA-N 1 2 333.432 2.144 20 30 EEEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000079298331 463203979 /nfs/dbraw/zinc/20/39/79/463203979.db2.gz JRHZPDIVLKRGSX-LBPRGKRZSA-N 1 2 325.334 2.401 20 30 EEEDLO N#Cc1ccc(OC2C[NH+](C[C@H](O)COc3ccccc3F)C2)cc1 ZINC000158561731 463239763 /nfs/dbraw/zinc/23/97/63/463239763.db2.gz BJURQAXCIGHREA-HNNXBMFYSA-N 1 2 342.370 2.200 20 30 EEEDLO C#CCNC(=O)c1ccc(NCc2ccc(Cn3cc[nH+]c3)cc2)nc1 ZINC000080953252 463372094 /nfs/dbraw/zinc/37/20/94/463372094.db2.gz PPCOUBOAMJQZJD-UHFFFAOYSA-N 1 2 345.406 2.302 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000057431003 463488523 /nfs/dbraw/zinc/48/85/23/463488523.db2.gz NWFFPVSFIBKDHN-UHFFFAOYSA-N 1 2 330.432 2.410 20 30 EEEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000151240352 463499595 /nfs/dbraw/zinc/49/95/95/463499595.db2.gz JBCHIQKSDBDVPZ-BBRMVZONSA-N 1 2 330.413 2.027 20 30 EEEDLO C=CCOc1ccccc1C[NH+]1CCN(Cc2nc(C)no2)CC1 ZINC000125332971 463531909 /nfs/dbraw/zinc/53/19/09/463531909.db2.gz NQZQPRRFQGLSGU-UHFFFAOYSA-N 1 2 328.416 2.261 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCCc2sccc21 ZINC000125487044 463549449 /nfs/dbraw/zinc/54/94/49/463549449.db2.gz RMDFYGBXQJKQTJ-INIZCTEOSA-N 1 2 347.484 2.242 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2csc(C)n2)CC1 ZINC000073741030 463651748 /nfs/dbraw/zinc/65/17/48/463651748.db2.gz HAZZVLNYSGLPLM-OAHLLOKOSA-N 1 2 348.516 2.158 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171222641 463818109 /nfs/dbraw/zinc/81/81/09/463818109.db2.gz DBZOLTUREBIWOX-UHFFFAOYSA-N 1 2 346.431 2.189 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171222641 463818111 /nfs/dbraw/zinc/81/81/11/463818111.db2.gz DBZOLTUREBIWOX-UHFFFAOYSA-N 1 2 346.431 2.189 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@@]1=O ZINC000277126671 463882542 /nfs/dbraw/zinc/88/25/42/463882542.db2.gz IDSRHLDCRKTVSS-BSEYFRJRSA-N 1 2 342.468 2.302 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@@]1=O ZINC000277126671 463882545 /nfs/dbraw/zinc/88/25/45/463882545.db2.gz IDSRHLDCRKTVSS-BSEYFRJRSA-N 1 2 342.468 2.302 20 30 EEEDLO C=CCSCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000194562144 463885532 /nfs/dbraw/zinc/88/55/32/463885532.db2.gz IJEVNZFOACKNJQ-KRWDZBQOSA-N 1 2 349.500 2.278 20 30 EEEDLO CCOC(=O)c1ccsc1NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000541948283 468383491 /nfs/dbraw/zinc/38/34/91/468383491.db2.gz IOSQYZHZLIPOBM-UHFFFAOYSA-N 1 2 335.429 2.489 20 30 EEEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3ccncn3)CC2)c(C#N)c1C ZINC000298558558 465432528 /nfs/dbraw/zinc/43/25/28/465432528.db2.gz ZSWXWQSOUILDJI-UHFFFAOYSA-N 1 2 339.399 2.376 20 30 EEEDLO C=CCS(=O)(=O)CC[NH2+][C@H](COC)c1cccc(Cl)c1F ZINC000287633038 463951818 /nfs/dbraw/zinc/95/18/18/463951818.db2.gz KLAWNXFQKAPXEZ-CYBMUJFWSA-N 1 2 335.828 2.357 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000195066690 463986294 /nfs/dbraw/zinc/98/62/94/463986294.db2.gz CXSGFCUQBATKPZ-OCCSQVGLSA-N 1 2 344.440 2.222 20 30 EEEDLO NC(=[NH+]OCc1cn(-c2ccc(F)c(Cl)c2)nn1)[C@@H]1CCCO1 ZINC000283757650 463998847 /nfs/dbraw/zinc/99/88/47/463998847.db2.gz AOUGNHCKRTUYTC-ZDUSSCGKSA-N 1 2 339.758 2.028 20 30 EEEDLO N#CCCCOc1cccnc1NC(=O)NCCCn1cc[nH+]c1 ZINC000186451312 464003461 /nfs/dbraw/zinc/00/34/61/464003461.db2.gz MIKUCDDGQLLFQF-UHFFFAOYSA-N 1 2 328.376 2.172 20 30 EEEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)CC(C)(C)C#N)CC2)c1 ZINC000279174563 464052677 /nfs/dbraw/zinc/05/26/77/464052677.db2.gz CEMMIONCAYTCSZ-UHFFFAOYSA-N 1 2 345.443 2.288 20 30 EEEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)c1 ZINC000269745619 464078632 /nfs/dbraw/zinc/07/86/32/464078632.db2.gz NIRWHIQYKLEREX-CQSZACIVSA-N 1 2 338.411 2.414 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000279261307 464083295 /nfs/dbraw/zinc/08/32/95/464083295.db2.gz UAAHIHXMJUPJTJ-UHFFFAOYSA-N 1 2 342.374 2.260 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000292291659 464187761 /nfs/dbraw/zinc/18/77/61/464187761.db2.gz MFSXSAQTJMRGDF-DNVCBOLYSA-N 1 2 346.450 2.391 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000292291659 464187765 /nfs/dbraw/zinc/18/77/65/464187765.db2.gz MFSXSAQTJMRGDF-DNVCBOLYSA-N 1 2 346.450 2.391 20 30 EEEDLO C#CC[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000270232405 464226852 /nfs/dbraw/zinc/22/68/52/464226852.db2.gz INTUNBIRVRFWRW-OALUTQOASA-N 1 2 341.455 2.257 20 30 EEEDLO C[C@H](c1cccc(NC(=O)C2(C#N)CCOCC2)c1)[NH+]1CCOCC1 ZINC000264516799 464357174 /nfs/dbraw/zinc/35/71/74/464357174.db2.gz CHVSNCYUFDYBGM-OAHLLOKOSA-N 1 2 343.427 2.339 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(CC)cc2)C1=O ZINC000281228905 464378943 /nfs/dbraw/zinc/37/89/43/464378943.db2.gz FHLQOXQJBKBDCI-YOEHRIQHSA-N 1 2 329.444 2.295 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(CC)cc2)C1=O ZINC000281228905 464378946 /nfs/dbraw/zinc/37/89/46/464378946.db2.gz FHLQOXQJBKBDCI-YOEHRIQHSA-N 1 2 329.444 2.295 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000281480050 464471641 /nfs/dbraw/zinc/47/16/41/464471641.db2.gz PSTQWVNVPINWKH-LPHOPBHVSA-N 1 2 344.455 2.230 20 30 EEEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccccc3OCC#N)n2)C1 ZINC000285194721 464484036 /nfs/dbraw/zinc/48/40/36/464484036.db2.gz DLVQOMPXLHVMFK-OAHLLOKOSA-N 1 2 328.372 2.421 20 30 EEEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccccc3OCC#N)n2)C1 ZINC000285194721 464484037 /nfs/dbraw/zinc/48/40/37/464484037.db2.gz DLVQOMPXLHVMFK-OAHLLOKOSA-N 1 2 328.372 2.421 20 30 EEEDLO CCCN(CC#N)C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000265545852 464597610 /nfs/dbraw/zinc/59/76/10/464597610.db2.gz IHYXFXMOXGYZJW-HNNXBMFYSA-N 1 2 332.423 2.098 20 30 EEEDLO CCC(CC)[C@@H](CNC(=O)c1ccc(C#N)c(O)c1)[NH+]1CCOCC1 ZINC000190397073 464635731 /nfs/dbraw/zinc/63/57/31/464635731.db2.gz IHVPDMYMSWQUOB-QGZVFWFLSA-N 1 2 345.443 2.131 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000295070111 464695222 /nfs/dbraw/zinc/69/52/22/464695222.db2.gz VVRIXTIJMUOPSR-UHFFFAOYSA-N 1 2 332.444 2.430 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(Cl)cc2c1OCC2 ZINC000272939502 464696684 /nfs/dbraw/zinc/69/66/84/464696684.db2.gz ILEXOVSJHWOJPJ-UHFFFAOYSA-N 1 2 349.862 2.323 20 30 EEEDLO Cc1csc(=O)n1CC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000176148927 464707464 /nfs/dbraw/zinc/70/74/64/464707464.db2.gz QSAWUOVAHFMNIB-KRWDZBQOSA-N 1 2 342.468 2.101 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000248358513 464744406 /nfs/dbraw/zinc/74/44/06/464744406.db2.gz QWOKTIGXOVVOJM-DYVFJYSZSA-N 1 2 333.457 2.334 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@](C)(O)C1 ZINC000248358513 464744412 /nfs/dbraw/zinc/74/44/12/464744412.db2.gz QWOKTIGXOVVOJM-DYVFJYSZSA-N 1 2 333.457 2.334 20 30 EEEDLO COc1cccc(C(N)=[NH+]OCC(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000266225354 464769542 /nfs/dbraw/zinc/76/95/42/464769542.db2.gz SNSGNJFAISMJQK-UHFFFAOYSA-N 1 2 339.395 2.460 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000492438755 468425324 /nfs/dbraw/zinc/42/53/24/468425324.db2.gz UIODQJWWFMCMRF-AWEZNQCLSA-N 1 2 345.443 2.451 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000492438755 468425330 /nfs/dbraw/zinc/42/53/30/468425330.db2.gz UIODQJWWFMCMRF-AWEZNQCLSA-N 1 2 345.443 2.451 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000191631863 464823350 /nfs/dbraw/zinc/82/33/50/464823350.db2.gz TVYXMXIBYXCCOM-BEFAXECRSA-N 1 2 346.450 2.391 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000191631863 464823356 /nfs/dbraw/zinc/82/33/56/464823356.db2.gz TVYXMXIBYXCCOM-BEFAXECRSA-N 1 2 346.450 2.391 20 30 EEEDLO C#CC(C)(C)[N@H+](C)Cc1nnnn1-c1ccccc1Br ZINC000286225789 464846183 /nfs/dbraw/zinc/84/61/83/464846183.db2.gz RETPJIAIMFXYOY-UHFFFAOYSA-N 1 2 334.221 2.268 20 30 EEEDLO C#CC(C)(C)[N@@H+](C)Cc1nnnn1-c1ccccc1Br ZINC000286225789 464846186 /nfs/dbraw/zinc/84/61/86/464846186.db2.gz RETPJIAIMFXYOY-UHFFFAOYSA-N 1 2 334.221 2.268 20 30 EEEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1cccc(C#N)c1 ZINC000192244477 464893284 /nfs/dbraw/zinc/89/32/84/464893284.db2.gz KFVAODUKYGFRFR-UHFFFAOYSA-N 1 2 346.456 2.418 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCOCC34CCC4)C2=O)cc1 ZINC000192696002 464978709 /nfs/dbraw/zinc/97/87/09/464978709.db2.gz SGEGLHPXOMPWPB-QGZVFWFLSA-N 1 2 325.412 2.309 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCOCC34CCC4)C2=O)cc1 ZINC000192696002 464978714 /nfs/dbraw/zinc/97/87/14/464978714.db2.gz SGEGLHPXOMPWPB-QGZVFWFLSA-N 1 2 325.412 2.309 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(F)cc(Cl)c1 ZINC000268235303 464985683 /nfs/dbraw/zinc/98/56/83/464985683.db2.gz YTLMXACNFBOTDZ-UHFFFAOYSA-N 1 2 339.798 2.167 20 30 EEEDLO Cc1nc2sccn2c1C[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000268250260 464993061 /nfs/dbraw/zinc/99/30/61/464993061.db2.gz OOJWEUPGWVAGMT-UHFFFAOYSA-N 1 2 345.472 2.479 20 30 EEEDLO Cc1nc2sccn2c1C[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000268250260 464993066 /nfs/dbraw/zinc/99/30/66/464993066.db2.gz OOJWEUPGWVAGMT-UHFFFAOYSA-N 1 2 345.472 2.479 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000253358137 464993347 /nfs/dbraw/zinc/99/33/47/464993347.db2.gz LJIKXYIGEJJMEV-NVXWUHKLSA-N 1 2 333.432 2.269 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000253358137 464993353 /nfs/dbraw/zinc/99/33/53/464993353.db2.gz LJIKXYIGEJJMEV-NVXWUHKLSA-N 1 2 333.432 2.269 20 30 EEEDLO C[C@H](C(=O)N[C@H]1CNC(=O)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000329467880 465343593 /nfs/dbraw/zinc/34/35/93/465343593.db2.gz WYHBKDTZMAWJFK-TZMCWYRMSA-N 1 2 334.395 2.022 20 30 EEEDLO C=C[C@@H](CO)NC(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000358985006 465368827 /nfs/dbraw/zinc/36/88/27/465368827.db2.gz TWPXZZXFLHFKMJ-ZDUSSCGKSA-N 1 2 328.416 2.280 20 30 EEEDLO CNC(=O)C1CCC(NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000329562274 465371976 /nfs/dbraw/zinc/37/19/76/465371976.db2.gz GKKQSNFZRKZGBW-MOKVOYLWSA-N 1 2 333.436 2.409 20 30 EEEDLO CC(C)C(=O)N1CCC(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000329610556 465385887 /nfs/dbraw/zinc/38/58/87/465385887.db2.gz DBNVVYLBDYIBQE-UHFFFAOYSA-N 1 2 347.463 2.150 20 30 EEEDLO CC(C)C(=O)N1CCC(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000329610556 465385896 /nfs/dbraw/zinc/38/58/96/465385896.db2.gz DBNVVYLBDYIBQE-UHFFFAOYSA-N 1 2 347.463 2.150 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@H](F)C3)CC2)cc1 ZINC000348039688 465388453 /nfs/dbraw/zinc/38/84/53/465388453.db2.gz LHIURNJHKKPEOF-DLBZAZTESA-N 1 2 330.407 2.276 20 30 EEEDLO Cc1c(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)nnn1CC1CCCC1 ZINC000329877260 465460416 /nfs/dbraw/zinc/46/04/16/465460416.db2.gz JBFRWLONTANWSJ-ZIAGYGMSSA-N 1 2 349.479 2.191 20 30 EEEDLO N#Cc1cc2c(nc1NCc1ccc[nH+]c1N1CCOCC1)CCC2 ZINC000298721182 465483638 /nfs/dbraw/zinc/48/36/38/465483638.db2.gz NZPFKZUUWNTLCP-UHFFFAOYSA-N 1 2 335.411 2.286 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1OC ZINC000298722233 465483687 /nfs/dbraw/zinc/48/36/87/465483687.db2.gz DRNIVGDWTMSPBB-BETUJISGSA-N 1 2 349.431 2.130 20 30 EEEDLO CCN1CCN(C(=O)NC[C@H](C)c2nccs2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329972170 465492172 /nfs/dbraw/zinc/49/21/72/465492172.db2.gz VZDQATATLAGGBL-STQMWFEESA-N 1 2 348.476 2.263 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000352399488 465523797 /nfs/dbraw/zinc/52/37/97/465523797.db2.gz SNLBEXXLJMULNC-INWMFGNUSA-N 1 2 337.855 2.226 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000352399488 465523803 /nfs/dbraw/zinc/52/38/03/465523803.db2.gz SNLBEXXLJMULNC-INWMFGNUSA-N 1 2 337.855 2.226 20 30 EEEDLO CCN1CCN(C(=O)Nc2ccccc2OC)C[C@H]1c1[nH]cc[nH+]1 ZINC000330072781 465524433 /nfs/dbraw/zinc/52/44/33/465524433.db2.gz ZHSZBKSFDQSWBG-AWEZNQCLSA-N 1 2 329.404 2.343 20 30 EEEDLO O=C(Nc1ccc(Cl)cn1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000330101603 465533056 /nfs/dbraw/zinc/53/30/56/465533056.db2.gz FIKJLEYAZLXOGX-AWEZNQCLSA-N 1 2 338.839 2.467 20 30 EEEDLO C[N@H+](C[C@H]1OCCc2ccccc21)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360293065 465554139 /nfs/dbraw/zinc/55/41/39/465554139.db2.gz PDGVRUXQRDVPHP-RTBURBONSA-N 1 2 335.407 2.330 20 30 EEEDLO C[N@@H+](C[C@H]1OCCc2ccccc21)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360293065 465554142 /nfs/dbraw/zinc/55/41/42/465554142.db2.gz PDGVRUXQRDVPHP-RTBURBONSA-N 1 2 335.407 2.330 20 30 EEEDLO CCCNC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348333616 465555412 /nfs/dbraw/zinc/55/54/12/465555412.db2.gz ZZDKCZUESRIBBC-WMLDXEAASA-N 1 2 348.878 2.437 20 30 EEEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000593940152 468440384 /nfs/dbraw/zinc/44/03/84/468440384.db2.gz HBSPEFDGJXRACH-MRXNPFEDSA-N 1 2 334.423 2.481 20 30 EEEDLO CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330312720 465608351 /nfs/dbraw/zinc/60/83/51/465608351.db2.gz OLKDNUFVTAYPFP-LSDHHAIUSA-N 1 2 347.463 2.436 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CCO1 ZINC000330336979 465619169 /nfs/dbraw/zinc/61/91/69/465619169.db2.gz SVLHJZOQYDWVKL-NFAWXSAZSA-N 1 2 348.447 2.244 20 30 EEEDLO Cc1cc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)nn1CCC#N ZINC000348796416 465796887 /nfs/dbraw/zinc/79/68/87/465796887.db2.gz LVXUTSCHYCQNHH-MRXNPFEDSA-N 1 2 345.834 3.000 20 30 EEEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CCCCC2(C)C)CCO1 ZINC000331254239 465999984 /nfs/dbraw/zinc/99/99/84/465999984.db2.gz WUMWMDLTOWTLQG-ZIAGYGMSSA-N 1 2 340.468 2.037 20 30 EEEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CCCCC2(C)C)CCO1 ZINC000331254239 465999992 /nfs/dbraw/zinc/99/99/92/465999992.db2.gz WUMWMDLTOWTLQG-ZIAGYGMSSA-N 1 2 340.468 2.037 20 30 EEEDLO COc1cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cc(OC)c1C ZINC000331312106 466026484 /nfs/dbraw/zinc/02/64/84/466026484.db2.gz CCOILYUYEMCFQW-UHFFFAOYSA-N 1 2 336.432 2.428 20 30 EEEDLO C[N@@H+]1CCN(S(=O)(=O)CC(C)(C)CC#N)C[C@@H]1Cc1ccccc1 ZINC000331337784 466036914 /nfs/dbraw/zinc/03/69/14/466036914.db2.gz RABNTRHDEDDTRT-KRWDZBQOSA-N 1 2 349.500 2.115 20 30 EEEDLO C[N@H+]1CCN(S(=O)(=O)CC(C)(C)CC#N)C[C@@H]1Cc1ccccc1 ZINC000331337784 466036923 /nfs/dbraw/zinc/03/69/23/466036923.db2.gz RABNTRHDEDDTRT-KRWDZBQOSA-N 1 2 349.500 2.115 20 30 EEEDLO N#Cc1sccc1N1CC[NH+](Cc2cnn(CC(F)F)c2)CC1 ZINC000597183595 468474393 /nfs/dbraw/zinc/47/43/93/468474393.db2.gz MMTQOSKFQBNVCB-UHFFFAOYSA-N 1 2 337.399 2.404 20 30 EEEDLO Cc1nc(C)n(C[C@@H]2C[N@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)n1 ZINC000331747699 466229750 /nfs/dbraw/zinc/22/97/50/466229750.db2.gz XZYNBLLAWUPJKC-UGSOOPFHSA-N 1 2 325.416 2.229 20 30 EEEDLO Cc1nc(C)n(C[C@@H]2C[N@@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)n1 ZINC000331747699 466229753 /nfs/dbraw/zinc/22/97/53/466229753.db2.gz XZYNBLLAWUPJKC-UGSOOPFHSA-N 1 2 325.416 2.229 20 30 EEEDLO C=CCN(CCOC)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000581166428 468488488 /nfs/dbraw/zinc/48/84/88/468488488.db2.gz MIZHKWGJFGHHIG-MRXNPFEDSA-N 1 2 328.416 2.354 20 30 EEEDLO N#CCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000340763552 466319582 /nfs/dbraw/zinc/31/95/82/466319582.db2.gz MOHICTXALKZWJT-UHFFFAOYSA-N 1 2 337.177 2.181 20 30 EEEDLO COCC[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc(C)o1 ZINC000347183376 466460094 /nfs/dbraw/zinc/46/00/94/466460094.db2.gz WUCJILPPNNHKPF-UHFFFAOYSA-N 1 2 341.411 2.225 20 30 EEEDLO COCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc(C)o1 ZINC000347183376 466460103 /nfs/dbraw/zinc/46/01/03/466460103.db2.gz WUCJILPPNNHKPF-UHFFFAOYSA-N 1 2 341.411 2.225 20 30 EEEDLO N#CCCn1ccc(NC(=O)CCn2c3ccccc3[nH+]c2C2CC2)n1 ZINC000354330252 466481297 /nfs/dbraw/zinc/48/12/97/466481297.db2.gz WAQSRITYXONBMD-UHFFFAOYSA-N 1 2 348.410 3.053 20 30 EEEDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000362186807 466611696 /nfs/dbraw/zinc/61/16/96/466611696.db2.gz CCZOATUKFNHOQE-MAUKXSAKSA-N 1 2 343.427 2.138 20 30 EEEDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000362186807 466611702 /nfs/dbraw/zinc/61/17/02/466611702.db2.gz CCZOATUKFNHOQE-MAUKXSAKSA-N 1 2 343.427 2.138 20 30 EEEDLO CC[C@@H]1CN(C(=O)[C@@]2(C#N)CC23CCCC3)C[C@H]1[NH+]1CCOCC1 ZINC000333530877 466622855 /nfs/dbraw/zinc/62/28/55/466622855.db2.gz IZFLWVZZCUSUKB-MDZRGWNJSA-N 1 2 331.460 2.030 20 30 EEEDLO C#Cc1ccc(CN2CCNC(=O)[C@H]2c2c(C)[nH+]c3ccccn32)cc1 ZINC000368571040 466672748 /nfs/dbraw/zinc/67/27/48/466672748.db2.gz BRUNPUUBSOECQZ-HXUWFJFHSA-N 1 2 344.418 2.297 20 30 EEEDLO C[C@H]1CN(S(=O)(=O)CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000416606222 466743183 /nfs/dbraw/zinc/74/31/83/466743183.db2.gz GCIFPGPNMSKWJA-INIZCTEOSA-N 1 2 335.473 2.216 20 30 EEEDLO C[C@H]1CN(S(=O)(=O)CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000416606222 466743187 /nfs/dbraw/zinc/74/31/87/466743187.db2.gz GCIFPGPNMSKWJA-INIZCTEOSA-N 1 2 335.473 2.216 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NC1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000375356436 466837449 /nfs/dbraw/zinc/83/74/49/466837449.db2.gz ZRCKETOBFPVGBU-SFHVURJKSA-N 1 2 332.448 2.099 20 30 EEEDLO C#CCCOc1ccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C(=O)OC)cc1 ZINC000376823404 466935642 /nfs/dbraw/zinc/93/56/42/466935642.db2.gz PHDACNFZANHJRY-MSOLQXFVSA-N 1 2 331.412 2.241 20 30 EEEDLO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C(=O)OC)cc1 ZINC000376823404 466935644 /nfs/dbraw/zinc/93/56/44/466935644.db2.gz PHDACNFZANHJRY-MSOLQXFVSA-N 1 2 331.412 2.241 20 30 EEEDLO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2csnn2)c(OC)c1 ZINC000412025169 466969710 /nfs/dbraw/zinc/96/97/10/466969710.db2.gz HUYVEYIBMYEVIH-OCCSQVGLSA-N 1 2 349.456 2.366 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412033113 466972089 /nfs/dbraw/zinc/97/20/89/466972089.db2.gz IMERIRZJGFWELE-QJPTWQEYSA-N 1 2 333.457 2.138 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412033113 466972091 /nfs/dbraw/zinc/97/20/91/466972091.db2.gz IMERIRZJGFWELE-QJPTWQEYSA-N 1 2 333.457 2.138 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000425425346 467093637 /nfs/dbraw/zinc/09/36/37/467093637.db2.gz QWISDWLKELZURF-ROUUACIJSA-N 1 2 340.427 2.322 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000425479042 467097295 /nfs/dbraw/zinc/09/72/95/467097295.db2.gz CXNQJJHITGDHHF-VXGBXAGGSA-N 1 2 337.445 2.169 20 30 EEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC1(CC#N)CC1 ZINC000432257251 467226286 /nfs/dbraw/zinc/22/62/86/467226286.db2.gz GMFGENQFUDHTSR-UHFFFAOYSA-N 1 2 329.404 2.042 20 30 EEEDLO C=CC(C)(C)CNC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000452780280 467423036 /nfs/dbraw/zinc/42/30/36/467423036.db2.gz DKUYBLKSHUUTBY-RHSMWYFYSA-N 1 2 344.459 2.191 20 30 EEEDLO CC1(C)C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H](CO)O1 ZINC000420947401 467520207 /nfs/dbraw/zinc/52/02/07/467520207.db2.gz UWASFYAFTSHKFN-HNNXBMFYSA-N 1 2 343.345 2.408 20 30 EEEDLO CC1(C)C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H](CO)O1 ZINC000420947401 467520208 /nfs/dbraw/zinc/52/02/08/467520208.db2.gz UWASFYAFTSHKFN-HNNXBMFYSA-N 1 2 343.345 2.408 20 30 EEEDLO C=CCC1(C(=O)N2CCC[N@@H+](CC(=O)NCC)CC2)CCCCC1 ZINC000448684715 467599377 /nfs/dbraw/zinc/59/93/77/467599377.db2.gz OSPGJNTZRNJMDL-UHFFFAOYSA-N 1 2 335.492 2.183 20 30 EEEDLO C=CCC1(C(=O)N2CCC[N@H+](CC(=O)NCC)CC2)CCCCC1 ZINC000448684715 467599378 /nfs/dbraw/zinc/59/93/78/467599378.db2.gz OSPGJNTZRNJMDL-UHFFFAOYSA-N 1 2 335.492 2.183 20 30 EEEDLO C=C(C)CCNC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000455332943 467666002 /nfs/dbraw/zinc/66/60/02/467666002.db2.gz YQZJQYIQSDCJIH-QGZVFWFLSA-N 1 2 325.453 2.058 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)c(F)c2)C1=O ZINC000528494584 467687330 /nfs/dbraw/zinc/68/73/30/467687330.db2.gz KBYPETOLHRPUMR-AWEZNQCLSA-N 1 2 339.798 2.136 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)c(F)c2)C1=O ZINC000528494584 467687335 /nfs/dbraw/zinc/68/73/35/467687335.db2.gz KBYPETOLHRPUMR-AWEZNQCLSA-N 1 2 339.798 2.136 20 30 EEEDLO CC#CCN(C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000457959611 467740850 /nfs/dbraw/zinc/74/08/50/467740850.db2.gz WZUOIOQDBJCKEK-UHFFFAOYSA-N 1 2 335.205 2.262 20 30 EEEDLO N#Cc1ccc(OC2CCC(NC(=O)C=Cc3c[nH]c[nH+]3)CC2)nc1 ZINC000492773073 467747178 /nfs/dbraw/zinc/74/71/78/467747178.db2.gz USPRSZVOWWVUOQ-DAXSKMNVSA-N 1 2 337.383 2.196 20 30 EEEDLO COc1ccc([C@@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)C2CC2)cn1 ZINC000528855275 467768175 /nfs/dbraw/zinc/76/81/75/467768175.db2.gz YWRANFAGGOOQID-ZWKOTPCHSA-N 1 2 336.395 2.229 20 30 EEEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000497000906 467779188 /nfs/dbraw/zinc/77/91/88/467779188.db2.gz VFNKWVPJTJFDED-MRXNPFEDSA-N 1 2 337.464 2.396 20 30 EEEDLO C=CC[N@H+](CCC#N)C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000497000906 467779193 /nfs/dbraw/zinc/77/91/93/467779193.db2.gz VFNKWVPJTJFDED-MRXNPFEDSA-N 1 2 337.464 2.396 20 30 EEEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000450144814 467787067 /nfs/dbraw/zinc/78/70/67/467787067.db2.gz HTVOJACSVRNCHQ-RDTXWAMCSA-N 1 2 346.862 2.128 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)C1=O ZINC000492968076 467807765 /nfs/dbraw/zinc/80/77/65/467807765.db2.gz HNCKKQYXDGGCOR-ILXRZTDVSA-N 1 2 337.464 2.103 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)C1=O ZINC000492968076 467807770 /nfs/dbraw/zinc/80/77/70/467807770.db2.gz HNCKKQYXDGGCOR-ILXRZTDVSA-N 1 2 337.464 2.103 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1ccc(Br)s1 ZINC000493016892 467820307 /nfs/dbraw/zinc/82/03/07/467820307.db2.gz IHRFLQUKNFKWNR-VUDGCMKMSA-N 1 2 342.262 2.484 20 30 EEEDLO CC(=O)c1ccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 ZINC000450818523 467913623 /nfs/dbraw/zinc/91/36/23/467913623.db2.gz BDFORRKGCXZUID-UHFFFAOYSA-N 1 2 337.427 2.125 20 30 EEEDLO CCCCOc1cc(OC)ccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000515304129 467984075 /nfs/dbraw/zinc/98/40/75/467984075.db2.gz QHRNNOQHDOADHQ-SFHVURJKSA-N 1 2 333.432 2.448 20 30 EEEDLO CCN1CCN(c2c(C#N)nnc3ccccc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000530480365 467987398 /nfs/dbraw/zinc/98/73/98/467987398.db2.gz IHLFRGWYPYIPEH-INIZCTEOSA-N 1 2 333.399 2.108 20 30 EEEDLO CC[C@H](CC#N)[NH2+]CC(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000515497059 467995251 /nfs/dbraw/zinc/99/52/51/467995251.db2.gz SASMLOMHGPVINW-GFCCVEGCSA-N 1 2 336.823 2.019 20 30 EEEDLO CCOc1nc(C(F)(F)F)ccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000515655904 468000636 /nfs/dbraw/zinc/00/06/36/468000636.db2.gz VVDIVFLUGVDSBL-AWEZNQCLSA-N 1 2 344.337 2.073 20 30 EEEDLO Cc1ccc2ncc(C#N)c(N3CCN(Cc4[nH]cc[nH+]4)CC3)c2c1 ZINC000488055196 468069179 /nfs/dbraw/zinc/06/91/79/468069179.db2.gz WJZYTOOGKNPJSG-UHFFFAOYSA-N 1 2 332.411 2.460 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C#N)cn3)CC[C@H]21 ZINC000495891747 468106807 /nfs/dbraw/zinc/10/68/07/468106807.db2.gz KWHJJLPAGUUKRN-LSDHHAIUSA-N 1 2 343.431 2.180 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C#N)cn3)CC[C@H]21 ZINC000495891747 468106809 /nfs/dbraw/zinc/10/68/09/468106809.db2.gz KWHJJLPAGUUKRN-LSDHHAIUSA-N 1 2 343.431 2.180 20 30 EEEDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000496259362 468128136 /nfs/dbraw/zinc/12/81/36/468128136.db2.gz AJLQVCZVFOXCHH-CQSZACIVSA-N 1 2 332.360 2.177 20 30 EEEDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000496259362 468128140 /nfs/dbraw/zinc/12/81/40/468128140.db2.gz AJLQVCZVFOXCHH-CQSZACIVSA-N 1 2 332.360 2.177 20 30 EEEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1-c1ccc(C)cc1 ZINC000565775903 468138027 /nfs/dbraw/zinc/13/80/27/468138027.db2.gz AXGIMNQIPGNGIZ-SFHVURJKSA-N 1 2 325.416 2.063 20 30 EEEDLO CCOC(=O)Nc1ccc(NC(=O)C[NH+]2CC(C)(C)C2)cc1C#N ZINC000496297297 468149095 /nfs/dbraw/zinc/14/90/95/468149095.db2.gz WRAXZKHTBRWDBE-UHFFFAOYSA-N 1 2 330.388 2.407 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000576640610 468170034 /nfs/dbraw/zinc/17/00/34/468170034.db2.gz PADWEEDGYANKFT-AWEZNQCLSA-N 1 2 329.322 2.088 20 30 EEEDLO C#CC[N@@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@H]1CCS(=O)(=O)C1 ZINC000490899691 468264027 /nfs/dbraw/zinc/26/40/27/468264027.db2.gz PRPACVYTXKUDKD-KRWDZBQOSA-N 1 2 347.480 2.413 20 30 EEEDLO C#CC[N@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@H]1CCS(=O)(=O)C1 ZINC000490899691 468264034 /nfs/dbraw/zinc/26/40/34/468264034.db2.gz PRPACVYTXKUDKD-KRWDZBQOSA-N 1 2 347.480 2.413 20 30 EEEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c(C#N)c1C ZINC000569716852 468533941 /nfs/dbraw/zinc/53/39/41/468533941.db2.gz ZYKHMOZNNGMVJM-CYBMUJFWSA-N 1 2 344.444 2.104 20 30 EEEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](n3ccnn3)C2)c(C#N)c1C ZINC000569716852 468533943 /nfs/dbraw/zinc/53/39/43/468533943.db2.gz ZYKHMOZNNGMVJM-CYBMUJFWSA-N 1 2 344.444 2.104 20 30 EEEDLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592146210 468637080 /nfs/dbraw/zinc/63/70/80/468637080.db2.gz FYDHZGVZCVPDTI-MEBBXXQBSA-N 1 2 325.771 2.157 20 30 EEEDLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592146210 468637085 /nfs/dbraw/zinc/63/70/85/468637085.db2.gz FYDHZGVZCVPDTI-MEBBXXQBSA-N 1 2 325.771 2.157 20 30 EEEDLO Cc1sc2nc([C@@H](C)[N@@H+]3CC[C@@](O)(CC#N)C3)nc(N)c2c1C ZINC000592151482 468639315 /nfs/dbraw/zinc/63/93/15/468639315.db2.gz MJXOLMDOBCKLHI-HWPZZCPQSA-N 1 2 331.445 2.302 20 30 EEEDLO Cc1sc2nc([C@@H](C)[N@H+]3CC[C@@](O)(CC#N)C3)nc(N)c2c1C ZINC000592151482 468639321 /nfs/dbraw/zinc/63/93/21/468639321.db2.gz MJXOLMDOBCKLHI-HWPZZCPQSA-N 1 2 331.445 2.302 20 30 EEEDLO CC[C@@H](C(=O)N1CCc2cc(C#N)ccc21)[N@@H+]1CCO[C@@H](CC)C1 ZINC000597771006 468664249 /nfs/dbraw/zinc/66/42/49/468664249.db2.gz AWLVKQFYPJQXIA-IRXDYDNUSA-N 1 2 327.428 2.337 20 30 EEEDLO CC[C@@H](C(=O)N1CCc2cc(C#N)ccc21)[N@H+]1CCO[C@@H](CC)C1 ZINC000597771006 468664255 /nfs/dbraw/zinc/66/42/55/468664255.db2.gz AWLVKQFYPJQXIA-IRXDYDNUSA-N 1 2 327.428 2.337 20 30 EEEDLO Cc1ccc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)cc1C ZINC000594901900 468719400 /nfs/dbraw/zinc/71/94/00/468719400.db2.gz QJKAAMUTKVTAKO-UHFFFAOYSA-N 1 2 337.423 2.217 20 30 EEEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C(C)(C)C#N)cc2)[C@H](C)CO1 ZINC000598000078 468735376 /nfs/dbraw/zinc/73/53/76/468735376.db2.gz XFQUCNOTUIUXNN-HUUCEWRRSA-N 1 2 329.444 2.327 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C(C)(C)C#N)cc2)[C@H](C)CO1 ZINC000598000078 468735382 /nfs/dbraw/zinc/73/53/82/468735382.db2.gz XFQUCNOTUIUXNN-HUUCEWRRSA-N 1 2 329.444 2.327 20 30 EEEDLO C=CCN1CC[C@H](N(C)C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1=O ZINC000571295483 468767985 /nfs/dbraw/zinc/76/79/85/468767985.db2.gz ZKGAFZUVXKDWAM-JKSUJKDBSA-N 1 2 349.862 2.188 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c(OC(F)F)c1 ZINC000571679255 468823030 /nfs/dbraw/zinc/82/30/30/468823030.db2.gz OGUCLHFXYODOIZ-GFCCVEGCSA-N 1 2 349.341 2.363 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c(OC(F)F)c1 ZINC000571679255 468823033 /nfs/dbraw/zinc/82/30/33/468823033.db2.gz OGUCLHFXYODOIZ-GFCCVEGCSA-N 1 2 349.341 2.363 20 30 EEEDLO COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000595617459 468924560 /nfs/dbraw/zinc/92/45/60/468924560.db2.gz ZWPMUJQWZBLUTI-JSGCOSHPSA-N 1 2 347.440 2.266 20 30 EEEDLO COC(=O)c1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000595617459 468924564 /nfs/dbraw/zinc/92/45/64/468924564.db2.gz ZWPMUJQWZBLUTI-JSGCOSHPSA-N 1 2 347.440 2.266 20 30 EEEDLO CC1CC(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000598659460 468949825 /nfs/dbraw/zinc/94/98/25/468949825.db2.gz SVVAJOXGRQWREX-UHFFFAOYSA-N 1 2 326.444 2.432 20 30 EEEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000593395426 468961635 /nfs/dbraw/zinc/96/16/35/468961635.db2.gz VNFCKYWDFZXVNX-AWEZNQCLSA-N 1 2 335.835 2.413 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000572726501 468982393 /nfs/dbraw/zinc/98/23/93/468982393.db2.gz YOVIFDHTMGKHGZ-OAHLLOKOSA-N 1 2 343.349 2.478 20 30 EEEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601728959 468989270 /nfs/dbraw/zinc/98/92/70/468989270.db2.gz OAZHLOZTCFJRCB-UHFFFAOYSA-N 1 2 325.368 2.123 20 30 EEEDLO CNc1ccc(C(F)(F)F)cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000598837613 469020351 /nfs/dbraw/zinc/02/03/51/469020351.db2.gz XJAFODHQXCKKHM-AWEZNQCLSA-N 1 2 328.338 2.321 20 30 EEEDLO CCN(CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)[C@H](C)C#N ZINC000595814759 469025308 /nfs/dbraw/zinc/02/53/08/469025308.db2.gz ISIOBKLKOARAOK-OAHLLOKOSA-N 1 2 348.878 2.218 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1cccc(C(F)(F)F)c1 ZINC000573039338 469045586 /nfs/dbraw/zinc/04/55/86/469045586.db2.gz UVSSJXYKRSHNIM-CQSZACIVSA-N 1 2 329.322 2.044 20 30 EEEDLO COc1cccc(C(=O)N2CC[NH+](CC3(CC#N)CC3)CC2)c1OC ZINC000602767549 469061119 /nfs/dbraw/zinc/06/11/19/469061119.db2.gz XCLSQLLUDZBZBS-UHFFFAOYSA-N 1 2 343.427 2.155 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C/C=C\Cc1ccccc1 ZINC000602085089 469181057 /nfs/dbraw/zinc/18/10/57/469181057.db2.gz GITUDCHMLJXNIR-PLNGDYQASA-N 1 2 341.455 2.250 20 30 EEEDLO Cc1cccc(N(CCC#N)C(=O)CN2CCc3[nH+]c[nH]c3C2)c1C ZINC000599430691 469252794 /nfs/dbraw/zinc/25/27/94/469252794.db2.gz YAHLJBWFEMELSJ-UHFFFAOYSA-N 1 2 337.427 2.332 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000602438845 469317325 /nfs/dbraw/zinc/31/73/25/469317325.db2.gz CDITZRXHUIJCMU-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000602438845 469317328 /nfs/dbraw/zinc/31/73/28/469317328.db2.gz CDITZRXHUIJCMU-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO N#Cc1cc(F)ccc1NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000596781607 469357368 /nfs/dbraw/zinc/35/73/68/469357368.db2.gz BGKMQMGTFCSMOF-UHFFFAOYSA-N 1 2 346.406 2.273 20 30 EEEDLO CCCCNC(=O)CN1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000612544505 469492909 /nfs/dbraw/zinc/49/29/09/469492909.db2.gz REAQEQJOYVSRBJ-MRXNPFEDSA-N 1 2 328.460 2.153 20 30 EEEDLO C[C@H]1CCN(S(=O)(=O)c2cccc(CC#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000619490966 469624097 /nfs/dbraw/zinc/62/40/97/469624097.db2.gz WLIZRCPRDUHOEM-YOEHRIQHSA-N 1 2 344.440 2.221 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000619717722 469669774 /nfs/dbraw/zinc/66/97/74/469669774.db2.gz FDDWDSPHFQRKJG-OCCSQVGLSA-N 1 2 347.333 2.105 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000619717722 469669777 /nfs/dbraw/zinc/66/97/77/469669777.db2.gz FDDWDSPHFQRKJG-OCCSQVGLSA-N 1 2 347.333 2.105 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)NCc2cn3ccccc3[nH+]2)cc1 ZINC000609099582 469890101 /nfs/dbraw/zinc/89/01/01/469890101.db2.gz NDMKZZOKJBWMBT-SFHVURJKSA-N 1 2 345.406 2.491 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000609486718 469932496 /nfs/dbraw/zinc/93/24/96/469932496.db2.gz PUFOUIFVKZBFEY-APWZRJJASA-N 1 2 340.471 2.130 20 30 EEEDLO N#Cc1ccc([C@H]([NH2+][C@@H](Cn2cccn2)c2ccccc2)C(N)=O)cc1 ZINC000610162514 469985017 /nfs/dbraw/zinc/98/50/17/469985017.db2.gz HRIOWANDSHLGHJ-OALUTQOASA-N 1 2 345.406 2.312 20 30 EEEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000621279478 470023503 /nfs/dbraw/zinc/02/35/03/470023503.db2.gz VHUHHDLEFHUNHZ-KBPBESRZSA-N 1 2 336.457 2.322 20 30 EEEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000621279478 470023506 /nfs/dbraw/zinc/02/35/06/470023506.db2.gz VHUHHDLEFHUNHZ-KBPBESRZSA-N 1 2 336.457 2.322 20 30 EEEDLO Cc1ccc(C[N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)nc1 ZINC000625467229 470150018 /nfs/dbraw/zinc/15/00/18/470150018.db2.gz AYQZGHRQIAILOL-UHFFFAOYSA-N 1 2 333.391 2.121 20 30 EEEDLO Cc1ccc(C[N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)nc1 ZINC000625467229 470150020 /nfs/dbraw/zinc/15/00/20/470150020.db2.gz AYQZGHRQIAILOL-UHFFFAOYSA-N 1 2 333.391 2.121 20 30 EEEDLO CC#CC[C@@H](CO)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000645522795 470329637 /nfs/dbraw/zinc/32/96/37/470329637.db2.gz XLOSNDBJGUKSMY-ZDUSSCGKSA-N 1 2 346.818 2.099 20 30 EEEDLO C=CCCS(=O)(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000641645774 470433138 /nfs/dbraw/zinc/43/31/38/470433138.db2.gz JTSQEQURJWUKLL-UHFFFAOYSA-N 1 2 349.378 2.128 20 30 EEEDLO C=CCn1cc(C(=O)NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)nn1 ZINC000649219908 470502973 /nfs/dbraw/zinc/50/29/73/470502973.db2.gz XZEJMGAYPLUXDC-UHFFFAOYSA-N 1 2 336.399 2.158 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2csc(-c3ccc(C)o3)n2)nn1 ZINC000640955848 471136674 /nfs/dbraw/zinc/13/66/74/471136674.db2.gz GRCZBISQALIRRT-UHFFFAOYSA-N 1 2 327.413 2.464 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)nn1 ZINC000653597882 471680629 /nfs/dbraw/zinc/68/06/29/471680629.db2.gz CUQGWDDDXLPPLN-IBGZPJMESA-N 1 2 341.459 2.017 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)nn1 ZINC000653600792 471681668 /nfs/dbraw/zinc/68/16/68/471681668.db2.gz SXEVNLFLAIFUDT-SFHVURJKSA-N 1 2 339.443 2.308 20 30 EEEDLO C=CCN(C(=O)NCCc1cn2cccc(C)c2[nH+]1)[C@@H](C)COC ZINC000664290566 471707604 /nfs/dbraw/zinc/70/76/04/471707604.db2.gz KKHFDDWFNSSETA-HNNXBMFYSA-N 1 2 330.432 2.418 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC3(CCCC3=O)CC2)cc1 ZINC000661955921 471939307 /nfs/dbraw/zinc/93/93/07/471939307.db2.gz UUBHFINLRQQGIY-UHFFFAOYSA-N 1 2 346.452 2.167 20 30 EEEDLO C=C[C@H](CO)[NH2+]Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000662167594 472016965 /nfs/dbraw/zinc/01/69/65/472016965.db2.gz AIKMWEURISSIDQ-CYBMUJFWSA-N 1 2 331.441 2.269 20 30 EEEDLO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633658 485606912 /nfs/dbraw/zinc/60/69/12/485606912.db2.gz RYHAKKWTPIRJLM-HNNXBMFYSA-N 1 2 346.500 2.389 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)[C@H]1C ZINC001088550811 1187247286 /nfs/dbraw/zinc/24/72/86/1187247286.db2.gz USZGXHMMYKLIQY-RCWTZXSCSA-N 1 2 337.208 2.375 20 30 EEEDLO C=CCNC(=O)c1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000048149104 518935424 /nfs/dbraw/zinc/93/54/24/518935424.db2.gz GSOWQBGRBQQDKJ-UHFFFAOYSA-N 1 2 327.388 2.011 20 30 EEEDLO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)o1)[C@H]1CCS(=O)(=O)C1 ZINC000092361071 526332754 /nfs/dbraw/zinc/33/27/54/526332754.db2.gz RBPOUSFXIXVXNI-AWEZNQCLSA-N 1 2 335.429 2.153 20 30 EEEDLO C=CC[N@H+](Cc1c[nH]nc1-c1ccc(C)o1)[C@H]1CCS(=O)(=O)C1 ZINC000092361071 526332759 /nfs/dbraw/zinc/33/27/59/526332759.db2.gz RBPOUSFXIXVXNI-AWEZNQCLSA-N 1 2 335.429 2.153 20 30 EEEDLO C=CCOc1cccc(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000105017782 526916564 /nfs/dbraw/zinc/91/65/64/526916564.db2.gz UZFAZUBIKHCGHT-HUUCEWRRSA-N 1 2 333.432 2.482 20 30 EEEDLO C#C[C@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000365690788 527341662 /nfs/dbraw/zinc/34/16/62/527341662.db2.gz WBIOIMUJVSMXRE-VBNZEHGJSA-N 1 2 335.835 2.033 20 30 EEEDLO C#C[C@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000365690788 527341670 /nfs/dbraw/zinc/34/16/70/527341670.db2.gz WBIOIMUJVSMXRE-VBNZEHGJSA-N 1 2 335.835 2.033 20 30 EEEDLO C=CC[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccncc1 ZINC000734665900 577317156 /nfs/dbraw/zinc/31/71/56/577317156.db2.gz SQXGSOSQLPTOQO-MRXNPFEDSA-N 1 2 332.448 2.109 20 30 EEEDLO C=CC[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccncc1 ZINC000734665900 577317157 /nfs/dbraw/zinc/31/71/57/577317157.db2.gz SQXGSOSQLPTOQO-MRXNPFEDSA-N 1 2 332.448 2.109 20 30 EEEDLO C#C[C@H]([NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)[C@H]1CCCO1 ZINC000775343883 577435468 /nfs/dbraw/zinc/43/54/68/577435468.db2.gz ZESFVEJXMPXFIO-GOEBONIOSA-N 1 2 334.782 2.330 20 30 EEEDLO N#Cc1c2c(cn(C[N@@H+]3CCOCC4(CCCC4)C3)c1=O)CCC2 ZINC000766632425 577522532 /nfs/dbraw/zinc/52/25/32/577522532.db2.gz AJXUZABCEHQUQC-UHFFFAOYSA-N 1 2 327.428 2.059 20 30 EEEDLO N#Cc1c2c(cn(C[N@H+]3CCOCC4(CCCC4)C3)c1=O)CCC2 ZINC000766632425 577522533 /nfs/dbraw/zinc/52/25/33/577522533.db2.gz AJXUZABCEHQUQC-UHFFFAOYSA-N 1 2 327.428 2.059 20 30 EEEDLO COc1ccc(OCC[N@H+](C)Cn2ccc(C)c(C#N)c2=O)cc1 ZINC000758180168 577617665 /nfs/dbraw/zinc/61/76/65/577617665.db2.gz ZQSHJPGUUKXVBH-UHFFFAOYSA-N 1 2 327.384 2.005 20 30 EEEDLO COc1ccc(OCC[N@@H+](C)Cn2ccc(C)c(C#N)c2=O)cc1 ZINC000758180168 577617666 /nfs/dbraw/zinc/61/76/66/577617666.db2.gz ZQSHJPGUUKXVBH-UHFFFAOYSA-N 1 2 327.384 2.005 20 30 EEEDLO N#Cc1cccn(C[NH+]2CCC(OCCc3ccccc3)CC2)c1=O ZINC000758198942 577618282 /nfs/dbraw/zinc/61/82/82/577618282.db2.gz XXPGXSLQWLTNJX-UHFFFAOYSA-N 1 2 337.423 2.401 20 30 EEEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000762059686 577694172 /nfs/dbraw/zinc/69/41/72/577694172.db2.gz GIVAHBBSXOCPBX-KRWDZBQOSA-N 1 2 339.395 2.194 20 30 EEEDLO CCc1ccc(NC(=O)[C@H](C#N)C(=O)C[N@@H+](C)[C@H]2CCSC2)cc1 ZINC000753951247 577797254 /nfs/dbraw/zinc/79/72/54/577797254.db2.gz SSHXKBDTDGHUGA-JKSUJKDBSA-N 1 2 345.468 2.334 20 30 EEEDLO CCOC(=O)[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)[C@H]1CCCOC1 ZINC000754255698 577803227 /nfs/dbraw/zinc/80/32/27/577803227.db2.gz BNPORVRBUYEWGK-RDJZCZTQSA-N 1 2 332.400 2.037 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000744422262 577897416 /nfs/dbraw/zinc/89/74/16/577897416.db2.gz IAMBFUMVNVUXAI-UHFFFAOYSA-N 1 2 342.830 2.225 20 30 EEEDLO CC[NH+](CC)[C@@H](C(=O)O[C@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000744998390 577906480 /nfs/dbraw/zinc/90/64/80/577906480.db2.gz RSYQMLCMPCJDKN-NVXWUHKLSA-N 1 2 345.443 2.373 20 30 EEEDLO Cc1nnc(S)n(N=CC(C)(C)C[N@H+](C)Cc2ccccc2)c1=O ZINC000747628329 577947113 /nfs/dbraw/zinc/94/71/13/577947113.db2.gz SUNSLFJTBDNMOH-UHFFFAOYSA-N 1 2 345.472 2.228 20 30 EEEDLO Cc1nnc(S)n(N=CC(C)(C)C[N@@H+](C)Cc2ccccc2)c1=O ZINC000747628329 577947114 /nfs/dbraw/zinc/94/71/14/577947114.db2.gz SUNSLFJTBDNMOH-UHFFFAOYSA-N 1 2 345.472 2.228 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC000742105252 578127422 /nfs/dbraw/zinc/12/74/22/578127422.db2.gz UJSQFMRDRATAFG-KRWDZBQOSA-N 1 2 348.406 2.370 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC000742105252 578127423 /nfs/dbraw/zinc/12/74/23/578127423.db2.gz UJSQFMRDRATAFG-KRWDZBQOSA-N 1 2 348.406 2.370 20 30 EEEDLO COc1ccc([NH2+]CCCC(=O)OCC(=O)N(C)C(C)(C)C#N)cc1 ZINC000736833913 578226286 /nfs/dbraw/zinc/22/62/86/578226286.db2.gz GSDHDEMMFLPUGL-UHFFFAOYSA-N 1 2 347.415 2.191 20 30 EEEDLO C[C@@H](NC(=O)[C@H]1CCCO1)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000969257554 674759790 /nfs/dbraw/zinc/75/97/90/674759790.db2.gz AGQWPYARBBRQAS-RDTXWAMCSA-N 1 2 346.858 2.307 20 30 EEEDLO C[C@@H](NC(=O)c1cscn1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969398787 674942937 /nfs/dbraw/zinc/94/29/37/674942937.db2.gz LGESORXDTCSGPP-LLVKDONJSA-N 1 2 344.415 2.404 20 30 EEEDLO C[C@H](NC(=O)[C@@H]1CCCCO1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969483408 675067037 /nfs/dbraw/zinc/06/70/37/675067037.db2.gz NROSLXLHUPFREJ-UGSOOPFHSA-N 1 2 345.418 2.203 20 30 EEEDLO COc1ccc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3C#N)C2)o1 ZINC000970642907 676043824 /nfs/dbraw/zinc/04/38/24/676043824.db2.gz JWKSAQGXDMQPOQ-ZDUSSCGKSA-N 1 2 339.395 2.410 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](Cc3nc(C)cs3)C2)cn1 ZINC000970765829 676133526 /nfs/dbraw/zinc/13/35/26/676133526.db2.gz GVTYOYOPJQPJNL-CYBMUJFWSA-N 1 2 340.452 2.078 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C(C)C ZINC001026127665 683877851 /nfs/dbraw/zinc/87/78/51/683877851.db2.gz FXCIHVHJZXJZCD-BJJPWKGXSA-N 1 2 327.266 2.234 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C(C)C ZINC001026127665 683877853 /nfs/dbraw/zinc/87/78/53/683877853.db2.gz FXCIHVHJZXJZCD-BJJPWKGXSA-N 1 2 327.266 2.234 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC000970190972 675683411 /nfs/dbraw/zinc/68/34/11/675683411.db2.gz PIWNELVXIXKHKO-SNVBAGLBSA-N 1 2 333.823 2.069 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2CCN(CC(F)F)CC2)C1 ZINC000970331728 675792763 /nfs/dbraw/zinc/79/27/63/675792763.db2.gz LPWIQKCAFKBQSC-LBPRGKRZSA-N 1 2 349.853 2.153 20 30 EEEDLO Cc1nnc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C(=O)C#CC3CC3)C2)s1 ZINC001021582317 676235482 /nfs/dbraw/zinc/23/54/82/676235482.db2.gz VWGUBKPGJKEEQL-JKSUJKDBSA-N 1 2 344.484 2.073 20 30 EEEDLO Cc1nnc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C(=O)C#CC3CC3)C2)s1 ZINC001021582317 676235484 /nfs/dbraw/zinc/23/54/84/676235484.db2.gz VWGUBKPGJKEEQL-JKSUJKDBSA-N 1 2 344.484 2.073 20 30 EEEDLO Cc1nnc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C(=O)C#CC3CC3)C2)s1 ZINC001021582313 676235508 /nfs/dbraw/zinc/23/55/08/676235508.db2.gz VWGUBKPGJKEEQL-HOTGVXAUSA-N 1 2 344.484 2.073 20 30 EEEDLO Cc1nnc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C(=O)C#CC3CC3)C2)s1 ZINC001021582313 676235510 /nfs/dbraw/zinc/23/55/10/676235510.db2.gz VWGUBKPGJKEEQL-HOTGVXAUSA-N 1 2 344.484 2.073 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC3CCC(OC)CC3)C2)C1 ZINC000972699526 679663167 /nfs/dbraw/zinc/66/31/67/679663167.db2.gz GAOAZPGPWDGPTK-TVPLGVNVSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC3CCC(OC)CC3)C2)C1 ZINC000972699526 679663168 /nfs/dbraw/zinc/66/31/68/679663168.db2.gz GAOAZPGPWDGPTK-TVPLGVNVSA-N 1 2 336.476 2.071 20 30 EEEDLO CCc1nc(C[N@H+](C)[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC000971289276 676471277 /nfs/dbraw/zinc/47/12/77/676471277.db2.gz QZEYTQYTVLGTFL-AWEZNQCLSA-N 1 2 343.456 2.252 20 30 EEEDLO CCc1nc(C[N@@H+](C)[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC000971289276 676471278 /nfs/dbraw/zinc/47/12/78/676471278.db2.gz QZEYTQYTVLGTFL-AWEZNQCLSA-N 1 2 343.456 2.252 20 30 EEEDLO C[N@H+](Cc1ccncc1Cl)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971290409 676472929 /nfs/dbraw/zinc/47/29/29/676472929.db2.gz BLFBRYAUOPLLKH-AWEZNQCLSA-N 1 2 343.818 2.281 20 30 EEEDLO C[N@@H+](Cc1ccncc1Cl)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971290409 676472930 /nfs/dbraw/zinc/47/29/30/676472930.db2.gz BLFBRYAUOPLLKH-AWEZNQCLSA-N 1 2 343.818 2.281 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)sc1C ZINC000971371476 676506994 /nfs/dbraw/zinc/50/69/94/676506994.db2.gz LELFNJBVJLJLED-OAHLLOKOSA-N 1 2 343.456 2.306 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)sc1C ZINC000971371476 676506995 /nfs/dbraw/zinc/50/69/95/676506995.db2.gz LELFNJBVJLJLED-OAHLLOKOSA-N 1 2 343.456 2.306 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccsn2)C1 ZINC000971764042 676780116 /nfs/dbraw/zinc/78/01/16/676780116.db2.gz ZIJHUPIAZHBLGE-SNVBAGLBSA-N 1 2 330.251 2.198 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccsn2)C1 ZINC000971764042 676780117 /nfs/dbraw/zinc/78/01/17/676780117.db2.gz ZIJHUPIAZHBLGE-SNVBAGLBSA-N 1 2 330.251 2.198 20 30 EEEDLO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000972063650 678195013 /nfs/dbraw/zinc/19/50/13/678195013.db2.gz KSTWEPGLXYOFAO-MRXNPFEDSA-N 1 2 325.416 2.194 20 30 EEEDLO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000972063650 678195017 /nfs/dbraw/zinc/19/50/17/678195017.db2.gz KSTWEPGLXYOFAO-MRXNPFEDSA-N 1 2 325.416 2.194 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(C)(C)C)cn3)C2)C1 ZINC000972387715 678638809 /nfs/dbraw/zinc/63/88/09/678638809.db2.gz WFXOMBPXGPDZPJ-FQEVSTJZSA-N 1 2 343.471 2.482 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(C)(C)C)cn3)C2)C1 ZINC000972387715 678638813 /nfs/dbraw/zinc/63/88/13/678638813.db2.gz WFXOMBPXGPDZPJ-FQEVSTJZSA-N 1 2 343.471 2.482 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(C)C)nc3)C2)C1 ZINC000972411404 678702043 /nfs/dbraw/zinc/70/20/43/678702043.db2.gz ZPTKEHKUSCBKQA-FQEVSTJZSA-N 1 2 341.455 2.145 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(C)C)nc3)C2)C1 ZINC000972411404 678702047 /nfs/dbraw/zinc/70/20/47/678702047.db2.gz ZPTKEHKUSCBKQA-FQEVSTJZSA-N 1 2 341.455 2.145 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)cc(OC)c3C)C2)C1 ZINC000972452935 678770814 /nfs/dbraw/zinc/77/08/14/678770814.db2.gz GKDAPHKPTYPXJR-HXUWFJFHSA-N 1 2 344.455 2.415 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)cc(OC)c3C)C2)C1 ZINC000972452935 678770819 /nfs/dbraw/zinc/77/08/19/678770819.db2.gz GKDAPHKPTYPXJR-HXUWFJFHSA-N 1 2 344.455 2.415 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc(F)c3OCC)C2)C1 ZINC000972614044 679428121 /nfs/dbraw/zinc/42/81/21/679428121.db2.gz HXHIECYZJRHRAZ-LJQANCHMSA-N 1 2 348.418 2.327 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc(F)c3OCC)C2)C1 ZINC000972614044 679428123 /nfs/dbraw/zinc/42/81/23/679428123.db2.gz HXHIECYZJRHRAZ-LJQANCHMSA-N 1 2 348.418 2.327 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@]2(C)CCCOC2)C1 ZINC000972629783 679459225 /nfs/dbraw/zinc/45/92/25/679459225.db2.gz XPJSCCRWTKRSHA-UKRRQHHQSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@]2(C)CCCOC2)C1 ZINC000972629783 679459226 /nfs/dbraw/zinc/45/92/26/679459226.db2.gz XPJSCCRWTKRSHA-UKRRQHHQSA-N 1 2 345.281 2.244 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4c(s3)CCC4)C2)C1 ZINC000972664246 679534337 /nfs/dbraw/zinc/53/43/37/679534337.db2.gz JNQDRSNANDZBMC-GOSISDBHSA-N 1 2 332.469 2.340 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4c(s3)CCC4)C2)C1 ZINC000972664246 679534338 /nfs/dbraw/zinc/53/43/38/679534338.db2.gz JNQDRSNANDZBMC-GOSISDBHSA-N 1 2 332.469 2.340 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(N(C)C)nc1 ZINC001024524695 680034905 /nfs/dbraw/zinc/03/49/05/680034905.db2.gz YJGUMJYOVKQSTD-OAHLLOKOSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(N(C)C)nc1 ZINC001024524695 680034912 /nfs/dbraw/zinc/03/49/12/680034912.db2.gz YJGUMJYOVKQSTD-OAHLLOKOSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C)on1 ZINC001024660403 681323990 /nfs/dbraw/zinc/32/39/90/681323990.db2.gz NVYFTDOETZBWLG-BBWFWOEESA-N 1 2 333.432 2.045 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C)on1 ZINC001024660403 681323998 /nfs/dbraw/zinc/32/39/98/681323998.db2.gz NVYFTDOETZBWLG-BBWFWOEESA-N 1 2 333.432 2.045 20 30 EEEDLO C[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000982824427 681334581 /nfs/dbraw/zinc/33/45/81/681334581.db2.gz IXDNTAWUOOBKDU-YOEHRIQHSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000982824427 681334583 /nfs/dbraw/zinc/33/45/83/681334583.db2.gz IXDNTAWUOOBKDU-YOEHRIQHSA-N 1 2 345.418 2.157 20 30 EEEDLO CN(Cc1ccccc1F)C(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000177557927 681365538 /nfs/dbraw/zinc/36/55/38/681365538.db2.gz CTYWMCFYIACMNO-UHFFFAOYSA-N 1 2 329.375 2.316 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2nncn2c1 ZINC001024709849 681368247 /nfs/dbraw/zinc/36/82/47/681368247.db2.gz MLRBEEACRSUDSP-AWEZNQCLSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2nncn2c1 ZINC001024709849 681368250 /nfs/dbraw/zinc/36/82/50/681368250.db2.gz MLRBEEACRSUDSP-AWEZNQCLSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2n[nH]nc2c1 ZINC001024795041 681448604 /nfs/dbraw/zinc/44/86/04/681448604.db2.gz XMEJKCQTZJBHPT-CYBMUJFWSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2n[nH]nc2c1 ZINC001024795041 681448609 /nfs/dbraw/zinc/44/86/09/681448609.db2.gz XMEJKCQTZJBHPT-CYBMUJFWSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(N(C)C)cn1 ZINC001024819369 681467541 /nfs/dbraw/zinc/46/75/41/681467541.db2.gz NZSRRYCCDUEMCW-HNNXBMFYSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(N(C)C)cn1 ZINC001024819369 681467542 /nfs/dbraw/zinc/46/75/42/681467542.db2.gz NZSRRYCCDUEMCW-HNNXBMFYSA-N 1 2 336.867 2.484 20 30 EEEDLO C=CCOc1ccc(C(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)C2)cc1 ZINC001058597221 681492753 /nfs/dbraw/zinc/49/27/53/681492753.db2.gz ZOJDQVSLCUVMFJ-INIZCTEOSA-N 1 2 338.411 2.359 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ncnn1C ZINC001025260356 682351929 /nfs/dbraw/zinc/35/19/29/682351929.db2.gz WOZXBJHPYHNGQS-HOTGVXAUSA-N 1 2 345.491 2.373 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ncnn1C ZINC001025260356 682351934 /nfs/dbraw/zinc/35/19/34/682351934.db2.gz WOZXBJHPYHNGQS-HOTGVXAUSA-N 1 2 345.491 2.373 20 30 EEEDLO C=C(Br)CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000152835440 683548783 /nfs/dbraw/zinc/54/87/83/683548783.db2.gz CCVFFKBCAWJXSV-ZYHUDNBSSA-N 1 2 327.226 2.384 20 30 EEEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N)n1cccn1 ZINC001029223317 683580899 /nfs/dbraw/zinc/58/08/99/683580899.db2.gz VKHKLWFOXMTOFP-ZYSHUDEJSA-N 1 2 349.438 2.191 20 30 EEEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N)n1cccn1 ZINC001029223317 683580903 /nfs/dbraw/zinc/58/09/03/683580903.db2.gz VKHKLWFOXMTOFP-ZYSHUDEJSA-N 1 2 349.438 2.191 20 30 EEEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1c(F)cccc1F ZINC001029245191 683676733 /nfs/dbraw/zinc/67/67/33/683676733.db2.gz QKAZPJAKDVDYQN-MCIONIFRSA-N 1 2 333.382 2.342 20 30 EEEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1c(F)cccc1F ZINC001029245191 683676736 /nfs/dbraw/zinc/67/67/36/683676736.db2.gz QKAZPJAKDVDYQN-MCIONIFRSA-N 1 2 333.382 2.342 20 30 EEEDLO COc1ccc(C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)cc1C#N ZINC000895070664 683696961 /nfs/dbraw/zinc/69/69/61/683696961.db2.gz IDCAVRKXMYDSIM-UHFFFAOYSA-N 1 2 338.411 2.354 20 30 EEEDLO COc1ccc(C[N@H+]2CCc3nc[nH]c3C23CCOCC3)cc1C#N ZINC000895070664 683696962 /nfs/dbraw/zinc/69/69/62/683696962.db2.gz IDCAVRKXMYDSIM-UHFFFAOYSA-N 1 2 338.411 2.354 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2ccon2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993046617 683794584 /nfs/dbraw/zinc/79/45/84/683794584.db2.gz FCNBWSBLMXELCC-SMDDNHRTSA-N 1 2 330.413 2.391 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2ccon2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993046617 683794590 /nfs/dbraw/zinc/79/45/90/683794590.db2.gz FCNBWSBLMXELCC-SMDDNHRTSA-N 1 2 330.413 2.391 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cocn2)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000993109672 683934176 /nfs/dbraw/zinc/93/41/76/683934176.db2.gz QERVOAAOTUDYDF-LRDDRELGSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cocn2)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000993109672 683934178 /nfs/dbraw/zinc/93/41/78/683934178.db2.gz QERVOAAOTUDYDF-LRDDRELGSA-N 1 2 342.374 2.468 20 30 EEEDLO COc1cccc(O)c1/C=N\C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000915113493 684055597 /nfs/dbraw/zinc/05/55/97/684055597.db2.gz WWUNVGNPIWBWCI-PBXDPIQXSA-N 1 2 336.457 2.028 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001059317415 684129910 /nfs/dbraw/zinc/12/99/10/684129910.db2.gz GXQUWAPMHCWLKR-CQSZACIVSA-N 1 2 340.427 2.498 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3noc(CC)n3)C2)CC1 ZINC000984750438 685121069 /nfs/dbraw/zinc/12/10/69/685121069.db2.gz WHPJBPYEGNSNSL-CTYIDZIISA-N 1 2 332.448 2.363 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccnn2C(F)F)C(C)(C)C1 ZINC000974661724 685172292 /nfs/dbraw/zinc/17/22/92/685172292.db2.gz SILGOXSUFZQEDJ-LLVKDONJSA-N 1 2 332.782 2.471 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccnn2C(F)F)C(C)(C)C1 ZINC000974661724 685172296 /nfs/dbraw/zinc/17/22/96/685172296.db2.gz SILGOXSUFZQEDJ-LLVKDONJSA-N 1 2 332.782 2.471 20 30 EEEDLO C=C(C)CCC(=O)NCC[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059560992 687107924 /nfs/dbraw/zinc/10/79/24/687107924.db2.gz RWNLNEIGGVAPCQ-HNNXBMFYSA-N 1 2 332.448 2.053 20 30 EEEDLO C=CCCCC(=O)NCC[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059561574 687109329 /nfs/dbraw/zinc/10/93/29/687109329.db2.gz YJVPSULMEBSCQS-HNNXBMFYSA-N 1 2 332.448 2.053 20 30 EEEDLO Cc1cnc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)s1 ZINC001027354916 687667383 /nfs/dbraw/zinc/66/73/83/687667383.db2.gz NDMJDNIRKMBFAW-CQSZACIVSA-N 1 2 343.456 2.388 20 30 EEEDLO Cc1cnc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)s1 ZINC001027354916 687667384 /nfs/dbraw/zinc/66/73/84/687667384.db2.gz NDMJDNIRKMBFAW-CQSZACIVSA-N 1 2 343.456 2.388 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001059653222 687737812 /nfs/dbraw/zinc/73/78/12/687737812.db2.gz BMHFHILCVFRMGD-HNNXBMFYSA-N 1 2 346.475 2.218 20 30 EEEDLO CCc1noc([C@@H](C)[N@H+](C)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC001027402533 687935687 /nfs/dbraw/zinc/93/56/87/687935687.db2.gz PUEXNTJNOXVHNY-UKRRQHHQSA-N 1 2 330.432 2.029 20 30 EEEDLO CCc1noc([C@@H](C)[N@@H+](C)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC001027402533 687935695 /nfs/dbraw/zinc/93/56/95/687935695.db2.gz PUEXNTJNOXVHNY-UKRRQHHQSA-N 1 2 330.432 2.029 20 30 EEEDLO Cn1cccc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001027759709 694379054 /nfs/dbraw/zinc/37/90/54/694379054.db2.gz LRGNEFUMDYTZSS-QGZVFWFLSA-N 1 2 340.402 2.430 20 30 EEEDLO Cn1cccc1C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001027759709 694379059 /nfs/dbraw/zinc/37/90/59/694379059.db2.gz LRGNEFUMDYTZSS-QGZVFWFLSA-N 1 2 340.402 2.430 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001059974243 691672632 /nfs/dbraw/zinc/67/26/32/691672632.db2.gz OHGVFQKADVQXMZ-AWEZNQCLSA-N 1 2 346.475 2.254 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2c[nH]c3ncccc23)CC1 ZINC000989757296 692262208 /nfs/dbraw/zinc/26/22/08/692262208.db2.gz VKCMWMVFMJAVRL-UHFFFAOYSA-N 1 2 332.835 2.392 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2c[nH]c3ncccc23)CC1 ZINC000989757296 692262213 /nfs/dbraw/zinc/26/22/13/692262213.db2.gz VKCMWMVFMJAVRL-UHFFFAOYSA-N 1 2 332.835 2.392 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001060069986 693305554 /nfs/dbraw/zinc/30/55/54/693305554.db2.gz LLVDUNOGCJNTHJ-LSDHHAIUSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001060069986 693305560 /nfs/dbraw/zinc/30/55/60/693305560.db2.gz LLVDUNOGCJNTHJ-LSDHHAIUSA-N 1 2 346.475 2.155 20 30 EEEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)c3nccs3)C2)ccc1F ZINC001032067525 1192089953 /nfs/dbraw/zinc/08/99/53/1192089953.db2.gz KOCPKGBCXXAMMJ-UHFFFAOYSA-N 1 2 330.388 2.016 20 30 EEEDLO CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)C(F)C(F)(F)F ZINC001754046050 1177008437 /nfs/dbraw/zinc/00/84/37/1177008437.db2.gz MRWBNBCOWXLFQI-ZDUSSCGKSA-N 1 2 331.313 2.397 20 30 EEEDLO CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H](F)C(F)(F)F ZINC001754046050 1177008446 /nfs/dbraw/zinc/00/84/46/1177008446.db2.gz MRWBNBCOWXLFQI-ZDUSSCGKSA-N 1 2 331.313 2.397 20 30 EEEDLO C#CCCCCC(=O)N(C)C1CC[NH+](Cc2nn(CC)nc2C)CC1 ZINC001752297307 1179604260 /nfs/dbraw/zinc/60/42/60/1179604260.db2.gz FMGJLLTYOWBTLB-UHFFFAOYSA-N 1 2 345.491 2.223 20 30 EEEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1c[nH]c2cc[nH+]cc12 ZINC001270138912 1184875912 /nfs/dbraw/zinc/87/59/12/1184875912.db2.gz MCHCAHZGNLHGAU-IAGOWNOFSA-N 1 2 338.411 2.345 20 30 EEEDLO C#CCN(C(=O)[C@H]1C[C@@H]1C)C1CC[NH+](Cc2csnc2OC)CC1 ZINC001270284912 1184983966 /nfs/dbraw/zinc/98/39/66/1184983966.db2.gz JYGUVCGPBYZKDD-BBRMVZONSA-N 1 2 347.484 2.234 20 30 EEEDLO N#Cc1ccc(CCC(=O)N2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)cc1 ZINC001270892782 1185677078 /nfs/dbraw/zinc/67/70/78/1185677078.db2.gz PCKVPAUUYVVXPF-UHFFFAOYSA-N 1 2 334.423 2.163 20 30 EEEDLO C[NH+](C)Cc1nc(CSCCNc2nccc(C#N)n2)cs1 ZINC001168105256 1186746446 /nfs/dbraw/zinc/74/64/46/1186746446.db2.gz LXUGNHMLQCFYHL-UHFFFAOYSA-N 1 2 334.474 2.212 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)[C@H]1C ZINC001088550811 1187247282 /nfs/dbraw/zinc/24/72/82/1187247282.db2.gz USZGXHMMYKLIQY-RCWTZXSCSA-N 1 2 337.208 2.375 20 30 EEEDLO C[C@@H]1CC(=NN2C(=O)c3ccncc3C2=O)C[N@@H+]1Cc1ccccc1 ZINC000841651853 1187279417 /nfs/dbraw/zinc/27/94/17/1187279417.db2.gz BMZFGOFMTGPNQY-CYBMUJFWSA-N 1 2 334.379 2.328 20 30 EEEDLO C[C@@H]1CC(=NN2C(=O)c3ccncc3C2=O)C[N@H+]1Cc1ccccc1 ZINC000841651853 1187279419 /nfs/dbraw/zinc/27/94/19/1187279419.db2.gz BMZFGOFMTGPNQY-CYBMUJFWSA-N 1 2 334.379 2.328 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCC[C@@](CO)(Nc2cc[nH+]c(C)n2)C1 ZINC001112230141 1187438910 /nfs/dbraw/zinc/43/89/10/1187438910.db2.gz SHBLMWDZUBANHJ-LJQANCHMSA-N 1 2 344.459 2.319 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccsn2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088652238 1188053336 /nfs/dbraw/zinc/05/33/36/1188053336.db2.gz ZELXQHZXSBAHPF-DOMZBBRYSA-N 1 2 326.425 2.408 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccsn2)CC[N@H+]1Cc1ccccc1C#N ZINC001088652238 1188053339 /nfs/dbraw/zinc/05/33/39/1188053339.db2.gz ZELXQHZXSBAHPF-DOMZBBRYSA-N 1 2 326.425 2.408 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001077144278 1189357934 /nfs/dbraw/zinc/35/79/34/1189357934.db2.gz YSLFDBGEKKHQDR-ZDUSSCGKSA-N 1 2 334.464 2.150 20 30 EEEDLO C#CCN1CCC2(CC[NH+](Cc3cc(Cl)ncc3F)CC2)C1=O ZINC001272621853 1190935094 /nfs/dbraw/zinc/93/50/94/1190935094.db2.gz VWJQAZGHHQCONU-UHFFFAOYSA-N 1 2 335.810 2.322 20 30 EEEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C(=O)OCC)[nH]2)C1=O ZINC001272639190 1190946977 /nfs/dbraw/zinc/94/69/77/1190946977.db2.gz XHVQZJJGCYJQCI-IBGZPJMESA-N 1 2 345.443 2.334 20 30 EEEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C(=O)OCC)[nH]2)C1=O ZINC001272639190 1190946980 /nfs/dbraw/zinc/94/69/80/1190946980.db2.gz XHVQZJJGCYJQCI-IBGZPJMESA-N 1 2 345.443 2.334 20 30 EEEDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001272942519 1193816487 /nfs/dbraw/zinc/81/64/87/1193816487.db2.gz PTGLEQBWSRHVQG-JBBXEZCESA-N 1 2 343.402 2.240 20 30 EEEDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001272942519 1193816491 /nfs/dbraw/zinc/81/64/91/1193816491.db2.gz PTGLEQBWSRHVQG-JBBXEZCESA-N 1 2 343.402 2.240 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001005111682 1194446591 /nfs/dbraw/zinc/44/65/91/1194446591.db2.gz ORERZGOEVVYCQP-XJKSGUPXSA-N 1 2 346.475 2.216 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c(C)cc(C)[nH]c2=O)C1 ZINC001033355599 1194485711 /nfs/dbraw/zinc/48/57/11/1194485711.db2.gz LXAGBPGDXKQFOT-CQSZACIVSA-N 1 2 337.851 2.232 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c(C)cc(C)[nH]c2=O)C1 ZINC001033355599 1194485714 /nfs/dbraw/zinc/48/57/14/1194485714.db2.gz LXAGBPGDXKQFOT-CQSZACIVSA-N 1 2 337.851 2.232 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001033432376 1194551645 /nfs/dbraw/zinc/55/16/45/1194551645.db2.gz NYEQYNPSGBTGJF-XHSDSOJGSA-N 1 2 349.862 2.359 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001033432376 1194551646 /nfs/dbraw/zinc/55/16/46/1194551646.db2.gz NYEQYNPSGBTGJF-XHSDSOJGSA-N 1 2 349.862 2.359 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc([C@H]3CCCO3)s2)C1 ZINC001033483637 1194623411 /nfs/dbraw/zinc/62/34/11/1194623411.db2.gz KECIKHQAZCRRAW-ZIAGYGMSSA-N 1 2 333.457 2.164 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnc([C@H]3CCCO3)s2)C1 ZINC001033483637 1194623413 /nfs/dbraw/zinc/62/34/13/1194623413.db2.gz KECIKHQAZCRRAW-ZIAGYGMSSA-N 1 2 333.457 2.164 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H](C)[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001005203028 1194705616 /nfs/dbraw/zinc/70/56/16/1194705616.db2.gz ZPTJQDOERBXFMV-HOCLYGCPSA-N 1 2 344.459 2.052 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)ccn2)C1 ZINC001014726894 1224245882 /nfs/dbraw/zinc/24/58/82/1224245882.db2.gz ZWJOXXWBDIJSCW-OAHLLOKOSA-N 1 2 340.427 2.082 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)ccn2)C1 ZINC001014726894 1224245885 /nfs/dbraw/zinc/24/58/85/1224245885.db2.gz ZWJOXXWBDIJSCW-OAHLLOKOSA-N 1 2 340.427 2.082 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@H+](Cc2nccs2)C1 ZINC001033807135 1195290570 /nfs/dbraw/zinc/29/05/70/1195290570.db2.gz RXPRVFUEYVZGFI-CQSZACIVSA-N 1 2 329.429 2.079 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001033807135 1195290575 /nfs/dbraw/zinc/29/05/75/1195290575.db2.gz RXPRVFUEYVZGFI-CQSZACIVSA-N 1 2 329.429 2.079 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]2OCCN(c3cc(CC)[nH+]c(C)n3)[C@H]2C1 ZINC001090176785 1195626024 /nfs/dbraw/zinc/62/60/24/1195626024.db2.gz KPXDEEGRJYELIE-IRXDYDNUSA-N 1 2 344.459 2.120 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncoc1-c1cccs1 ZINC001018075796 1224298651 /nfs/dbraw/zinc/29/86/51/1224298651.db2.gz RCROUMUVWRFRQD-BETUJISGSA-N 1 2 327.409 2.325 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncoc1-c1cccs1 ZINC001018075796 1224298656 /nfs/dbraw/zinc/29/86/56/1224298656.db2.gz RCROUMUVWRFRQD-BETUJISGSA-N 1 2 327.409 2.325 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001078969913 1196403698 /nfs/dbraw/zinc/40/36/98/1196403698.db2.gz HYHKRWRLNVQDHR-OAHLLOKOSA-N 1 2 346.475 2.394 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccc2cc[nH]c2n1 ZINC001014828735 1224412341 /nfs/dbraw/zinc/41/23/41/1224412341.db2.gz XLHUPIIVVRQJOT-SFHVURJKSA-N 1 2 344.418 2.419 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccc2cc[nH]c2n1 ZINC001014828735 1224412344 /nfs/dbraw/zinc/41/23/44/1224412344.db2.gz XLHUPIIVVRQJOT-SFHVURJKSA-N 1 2 344.418 2.419 20 30 EEEDLO Cc1cc(C(N)=[NH+]OCCCS(=O)(=O)C(C)(C)C)ccc1F ZINC000871729052 1197859895 /nfs/dbraw/zinc/85/98/95/1197859895.db2.gz ZPJFRNLCLTUMDZ-UHFFFAOYSA-N 1 2 330.425 2.374 20 30 EEEDLO C=C(C)CN1CC2(C[NH+](CCCc3ccccc3OC)C2)OCC1=O ZINC001273439492 1198987609 /nfs/dbraw/zinc/98/76/09/1198987609.db2.gz LOEAFBXCZRPEJV-UHFFFAOYSA-N 1 2 344.455 2.117 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2csnc2OC)C1 ZINC001131996584 1199182095 /nfs/dbraw/zinc/18/20/95/1199182095.db2.gz VUDZVMYYCSIRJQ-ZFWWWQNUSA-N 1 2 335.473 2.424 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2csnc2OC)C1 ZINC001131996584 1199182098 /nfs/dbraw/zinc/18/20/98/1199182098.db2.gz VUDZVMYYCSIRJQ-ZFWWWQNUSA-N 1 2 335.473 2.424 20 30 EEEDLO CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132034856 1199219957 /nfs/dbraw/zinc/21/99/57/1199219957.db2.gz VTOVSHXMVYSOIW-HOCLYGCPSA-N 1 2 345.491 2.125 20 30 EEEDLO CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132034856 1199219963 /nfs/dbraw/zinc/21/99/63/1199219963.db2.gz VTOVSHXMVYSOIW-HOCLYGCPSA-N 1 2 345.491 2.125 20 30 EEEDLO Cc1cnc(C[N@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)cn1 ZINC001132037492 1199222354 /nfs/dbraw/zinc/22/23/54/1199222354.db2.gz CQUMNWSOAUQDSU-HOTGVXAUSA-N 1 2 328.460 2.304 20 30 EEEDLO Cc1cnc(C[N@@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)cn1 ZINC001132037492 1199222357 /nfs/dbraw/zinc/22/23/57/1199222357.db2.gz CQUMNWSOAUQDSU-HOTGVXAUSA-N 1 2 328.460 2.304 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CNC(=O)C2CCCC2)CC[C@@H]1C ZINC001132060170 1199247443 /nfs/dbraw/zinc/24/74/43/1199247443.db2.gz AVIKHHBULRTTRX-DZGCQCFKSA-N 1 2 341.883 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CNC(=O)C2CCCC2)CC[C@@H]1C ZINC001132060170 1199247446 /nfs/dbraw/zinc/24/74/46/1199247446.db2.gz AVIKHHBULRTTRX-DZGCQCFKSA-N 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N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ncccc3F)C2)cc1F ZINC001015900652 1225804214 /nfs/dbraw/zinc/80/42/14/1225804214.db2.gz NDSULECXOQDKHP-CQSZACIVSA-N 1 2 342.349 2.236 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cn[nH]c1 ZINC000965376668 1219045126 /nfs/dbraw/zinc/04/51/26/1219045126.db2.gz ZKEOFPLOFLEZBU-SJKOYZFVSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cn[nH]c1 ZINC000965376668 1219045129 /nfs/dbraw/zinc/04/51/29/1219045129.db2.gz ZKEOFPLOFLEZBU-SJKOYZFVSA-N 1 2 341.390 2.061 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2=COCCC2)C1 ZINC000965399292 1219054370 /nfs/dbraw/zinc/05/43/70/1219054370.db2.gz ZSNMGFAKTILNDD-RISCZKNCSA-N 1 2 343.265 2.416 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2=COCCC2)C1 ZINC000965399292 1219054372 /nfs/dbraw/zinc/05/43/72/1219054372.db2.gz ZSNMGFAKTILNDD-RISCZKNCSA-N 1 2 343.265 2.416 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1C ZINC000965422698 1219069263 /nfs/dbraw/zinc/06/92/63/1219069263.db2.gz ZKUXNVGIAUSMGZ-MAUKXSAKSA-N 1 2 337.423 2.475 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)CC[C@@H]1C ZINC000965422698 1219069268 /nfs/dbraw/zinc/06/92/68/1219069268.db2.gz ZKUXNVGIAUSMGZ-MAUKXSAKSA-N 1 2 337.423 2.475 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)c1cocn1 ZINC000965564021 1219147294 /nfs/dbraw/zinc/14/72/94/1219147294.db2.gz XTFYLLOITBAZKQ-LRDDRELGSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)c1cocn1 ZINC000965564021 1219147295 /nfs/dbraw/zinc/14/72/95/1219147295.db2.gz XTFYLLOITBAZKQ-LRDDRELGSA-N 1 2 342.374 2.326 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c(Cl)cnn2C)C1 ZINC000966163937 1219562291 /nfs/dbraw/zinc/56/22/91/1219562291.db2.gz BSCKRYGYVXNUKG-SKDRFNHKSA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c(Cl)cnn2C)C1 ZINC000966163937 1219562292 /nfs/dbraw/zinc/56/22/92/1219562292.db2.gz BSCKRYGYVXNUKG-SKDRFNHKSA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2cnn3ccccc23)C1 ZINC000966819208 1220042808 /nfs/dbraw/zinc/04/28/08/1220042808.db2.gz ZSNBOFPPZUOJJI-CZUORRHYSA-N 1 2 346.862 2.456 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2cnn3ccccc23)C1 ZINC000966819208 1220042812 /nfs/dbraw/zinc/04/28/12/1220042812.db2.gz ZSNBOFPPZUOJJI-CZUORRHYSA-N 1 2 346.862 2.456 20 30 EEEDLO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1cccnc1 ZINC001016015871 1225959808 /nfs/dbraw/zinc/95/98/08/1225959808.db2.gz IGARCTOZLJAWCB-DNVCBOLYSA-N 1 2 334.423 2.447 20 30 EEEDLO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1)c1cccnc1 ZINC001016015871 1225959810 /nfs/dbraw/zinc/95/98/10/1225959810.db2.gz IGARCTOZLJAWCB-DNVCBOLYSA-N 1 2 334.423 2.447 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)nc1 ZINC001016025112 1225970425 /nfs/dbraw/zinc/97/04/25/1225970425.db2.gz VINRHMCIXQSZDQ-AWEZNQCLSA-N 1 2 336.420 2.000 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)nc1 ZINC001016025112 1225970428 /nfs/dbraw/zinc/97/04/28/1225970428.db2.gz VINRHMCIXQSZDQ-AWEZNQCLSA-N 1 2 336.420 2.000 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccnc(Cl)c3)C2)cn1 ZINC001016027330 1225972355 /nfs/dbraw/zinc/97/23/55/1225972355.db2.gz PBUSVCNVACDIKY-INIZCTEOSA-N 1 2 340.814 2.116 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccnc(Cl)c3)C2)cn1 ZINC001016027330 1225972360 /nfs/dbraw/zinc/97/23/60/1225972360.db2.gz PBUSVCNVACDIKY-INIZCTEOSA-N 1 2 340.814 2.116 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1NC(=O)c1cnco1 ZINC000967566581 1220634165 /nfs/dbraw/zinc/63/41/65/1220634165.db2.gz YQONHQLKHONPCV-WBMJQRKESA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1NC(=O)c1cnco1 ZINC000967566581 1220634167 /nfs/dbraw/zinc/63/41/67/1220634167.db2.gz YQONHQLKHONPCV-WBMJQRKESA-N 1 2 342.374 2.326 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC000968655047 1221466771 /nfs/dbraw/zinc/46/67/71/1221466771.db2.gz JXGSPVLRZKTKLP-ZBEGNZNMSA-N 1 2 349.862 2.469 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC000968655047 1221466778 /nfs/dbraw/zinc/46/67/78/1221466778.db2.gz JXGSPVLRZKTKLP-ZBEGNZNMSA-N 1 2 349.862 2.469 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc(C(N)=O)o1 ZINC000968940873 1221689331 /nfs/dbraw/zinc/68/93/31/1221689331.db2.gz CBWKJKIWEUHSLD-LBPRGKRZSA-N 1 2 339.823 2.105 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(C(N)=O)o1 ZINC000968940873 1221689333 /nfs/dbraw/zinc/68/93/33/1221689333.db2.gz CBWKJKIWEUHSLD-LBPRGKRZSA-N 1 2 339.823 2.105 20 30 EEEDLO Cc1cnc(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)cn1 ZINC001006636227 1221873758 /nfs/dbraw/zinc/87/37/58/1221873758.db2.gz XBUZGLGUMFLBFC-SFHVURJKSA-N 1 2 334.423 2.031 20 30 EEEDLO Cc1cnc(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)cn1 ZINC001006636227 1221873763 /nfs/dbraw/zinc/87/37/63/1221873763.db2.gz XBUZGLGUMFLBFC-SFHVURJKSA-N 1 2 334.423 2.031 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001006984503 1222050184 /nfs/dbraw/zinc/05/01/84/1222050184.db2.gz QINAKKDYLCOLIU-QAPCUYQASA-N 1 2 327.428 2.065 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001006984503 1222050188 /nfs/dbraw/zinc/05/01/88/1222050188.db2.gz QINAKKDYLCOLIU-QAPCUYQASA-N 1 2 327.428 2.065 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2ccncc2F)C1 ZINC001006997389 1222057023 /nfs/dbraw/zinc/05/70/23/1222057023.db2.gz WMNIEPSYFKGSLD-INIZCTEOSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2ccncc2F)C1 ZINC001006997389 1222057026 /nfs/dbraw/zinc/05/70/26/1222057026.db2.gz WMNIEPSYFKGSLD-INIZCTEOSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(F)nc3)C2)cc1F ZINC001010384741 1223693003 /nfs/dbraw/zinc/69/30/03/1223693003.db2.gz NYZPNSJLVBFKOF-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(F)nc3)C2)cc1F ZINC001010384741 1223693005 /nfs/dbraw/zinc/69/30/05/1223693005.db2.gz NYZPNSJLVBFKOF-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO Cc1nscc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001010685167 1223850641 /nfs/dbraw/zinc/85/06/41/1223850641.db2.gz XVNLJOWOQVZDEQ-HNNXBMFYSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1nscc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001010685167 1223850644 /nfs/dbraw/zinc/85/06/44/1223850644.db2.gz XVNLJOWOQVZDEQ-HNNXBMFYSA-N 1 2 326.425 2.328 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCOCC3)C2)c(F)c1 ZINC001010804045 1223913813 /nfs/dbraw/zinc/91/38/13/1223913813.db2.gz BIUGZJGXAZQKIC-WBVHZDCISA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCOCC3)C2)c(F)c1 ZINC001010804045 1223913815 /nfs/dbraw/zinc/91/38/15/1223913815.db2.gz BIUGZJGXAZQKIC-WBVHZDCISA-N 1 2 345.418 2.205 20 30 EEEDLO Cc1cc[nH]c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010835506 1223930758 /nfs/dbraw/zinc/93/07/58/1223930758.db2.gz UFQACXAXSLUOBF-HNNXBMFYSA-N 1 2 326.375 2.338 20 30 EEEDLO Cc1cc[nH]c1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010835506 1223930760 /nfs/dbraw/zinc/93/07/60/1223930760.db2.gz UFQACXAXSLUOBF-HNNXBMFYSA-N 1 2 326.375 2.338 20 30 EEEDLO CN(C)c1ncccc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016253549 1226256405 /nfs/dbraw/zinc/25/64/05/1226256405.db2.gz MXPBRJRFGCXCHW-GOSISDBHSA-N 1 2 348.450 2.003 20 30 EEEDLO CN(C)c1ncccc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016253549 1226256410 /nfs/dbraw/zinc/25/64/10/1226256410.db2.gz MXPBRJRFGCXCHW-GOSISDBHSA-N 1 2 348.450 2.003 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2C(=O)Nc3ccccc32)C1 ZINC001016390571 1226428185 /nfs/dbraw/zinc/42/81/85/1226428185.db2.gz AGNQUFHHMDAJQR-GXTWGEPZSA-N 1 2 333.819 2.055 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H]2C(=O)Nc3ccccc32)C1 ZINC001016390571 1226428191 /nfs/dbraw/zinc/42/81/91/1226428191.db2.gz AGNQUFHHMDAJQR-GXTWGEPZSA-N 1 2 333.819 2.055 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@]2(NC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001014515389 1226706821 /nfs/dbraw/zinc/70/68/21/1226706821.db2.gz UEKLPBJLDUUDHG-ATZDWAIDSA-N 1 2 344.459 2.194 20 30 EEEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)Nc2cccc(F)c2)cc1 ZINC000113248994 1226728228 /nfs/dbraw/zinc/72/82/28/1226728228.db2.gz CMTJOXBJAAKFCW-NSHDSACASA-N 1 2 331.347 2.498 20 30 EEEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)c2cc(C#N)ccc2C)c1C ZINC000114738663 1226970100 /nfs/dbraw/zinc/97/01/00/1226970100.db2.gz LSPPTSMHEMEQOZ-UHFFFAOYSA-N 1 2 345.424 2.366 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H](C[N@H+](C)Cc2nnc(C)[nH]2)C1 ZINC001017200691 1227222429 /nfs/dbraw/zinc/22/24/29/1227222429.db2.gz CKQSOQUFPOAVSH-QAPCUYQASA-N 1 2 333.480 2.386 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2nnc(C)[nH]2)C1 ZINC001017200691 1227222431 /nfs/dbraw/zinc/22/24/31/1227222431.db2.gz CKQSOQUFPOAVSH-QAPCUYQASA-N 1 2 333.480 2.386 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(NC(C)=O)c1 ZINC001017582326 1227545113 /nfs/dbraw/zinc/54/51/13/1227545113.db2.gz LCYPWJQIEMBWOR-HDICACEKSA-N 1 2 339.439 2.266 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(NC(C)=O)c1 ZINC001017582326 1227545117 /nfs/dbraw/zinc/54/51/17/1227545117.db2.gz LCYPWJQIEMBWOR-HDICACEKSA-N 1 2 339.439 2.266 20 30 EEEDLO Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038175591 1229677143 /nfs/dbraw/zinc/67/71/43/1229677143.db2.gz QKKYDOAYUXODLC-OAHLLOKOSA-N 1 2 341.415 2.311 20 30 EEEDLO Cc1nc(C(C)C)oc1C[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038175591 1229677148 /nfs/dbraw/zinc/67/71/48/1229677148.db2.gz QKKYDOAYUXODLC-OAHLLOKOSA-N 1 2 341.415 2.311 20 30 EEEDLO Cn1nc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)cc1C1CC1 ZINC001038316089 1229740579 /nfs/dbraw/zinc/74/05/79/1229740579.db2.gz NSZYXJZXXSUSMC-QGZVFWFLSA-N 1 2 349.438 2.173 20 30 EEEDLO Cn1nc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)cc1C1CC1 ZINC001038316089 1229740580 /nfs/dbraw/zinc/74/05/80/1229740580.db2.gz NSZYXJZXXSUSMC-QGZVFWFLSA-N 1 2 349.438 2.173 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc3n(n2)CCCC3)cc1 ZINC001038378833 1229779396 /nfs/dbraw/zinc/77/93/96/1229779396.db2.gz DZMAXHILVDNMIN-GOSISDBHSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc3n(n2)CCCC3)cc1 ZINC001038378833 1229779397 /nfs/dbraw/zinc/77/93/97/1229779397.db2.gz DZMAXHILVDNMIN-GOSISDBHSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc3n(n2)CCCC3)cc1 ZINC001038378834 1229779696 /nfs/dbraw/zinc/77/96/96/1229779696.db2.gz DZMAXHILVDNMIN-SFHVURJKSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc3n(n2)CCCC3)cc1 ZINC001038378834 1229779698 /nfs/dbraw/zinc/77/96/98/1229779698.db2.gz DZMAXHILVDNMIN-SFHVURJKSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ncc3ccccn32)c1 ZINC001038511673 1229883363 /nfs/dbraw/zinc/88/33/63/1229883363.db2.gz PZKFOBMJLRUTBG-KRWDZBQOSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ncc3ccccn32)c1 ZINC001038511673 1229883367 /nfs/dbraw/zinc/88/33/67/1229883367.db2.gz PZKFOBMJLRUTBG-KRWDZBQOSA-N 1 2 345.406 2.210 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1C#N ZINC001038627365 1229944072 /nfs/dbraw/zinc/94/40/72/1229944072.db2.gz HEGFUHQXBSAUNI-LHHMISFZSA-N 1 2 339.439 2.303 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1C#N ZINC001038627365 1229944075 /nfs/dbraw/zinc/94/40/75/1229944075.db2.gz HEGFUHQXBSAUNI-LHHMISFZSA-N 1 2 339.439 2.303 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2[C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC001038668530 1229964005 /nfs/dbraw/zinc/96/40/05/1229964005.db2.gz VANYWYFPGBKTOM-SJORKVTESA-N 1 2 347.503 2.323 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2[C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC001038668530 1229964007 /nfs/dbraw/zinc/96/40/07/1229964007.db2.gz VANYWYFPGBKTOM-SJORKVTESA-N 1 2 347.503 2.323 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CC23CC3)cc1C#N ZINC001038746679 1230017649 /nfs/dbraw/zinc/01/76/49/1230017649.db2.gz SMVFGWZCPIWWPM-HOTGVXAUSA-N 1 2 325.412 2.057 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CC23CC3)cc1C#N ZINC001038746679 1230017653 /nfs/dbraw/zinc/01/76/53/1230017653.db2.gz SMVFGWZCPIWWPM-HOTGVXAUSA-N 1 2 325.412 2.057 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)c1cccc2[nH]cnc21 ZINC001038835198 1230096547 /nfs/dbraw/zinc/09/65/47/1230096547.db2.gz BOXNRJQPXWWVGH-KRWDZBQOSA-N 1 2 344.418 2.419 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)c1cccc2[nH]cnc21 ZINC001038835198 1230096553 /nfs/dbraw/zinc/09/65/53/1230096553.db2.gz BOXNRJQPXWWVGH-KRWDZBQOSA-N 1 2 344.418 2.419 20 30 EEEDLO C=C(Cl)CN1CC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001038865011 1230119650 /nfs/dbraw/zinc/11/96/50/1230119650.db2.gz FOFDOURWQQXNOR-INIZCTEOSA-N 1 2 330.819 2.429 20 30 EEEDLO C=CCOc1cccnc1C(=O)NC[C@@H]1CC[N@H+]1CCC(F)(F)F ZINC001038905694 1230152129 /nfs/dbraw/zinc/15/21/29/1230152129.db2.gz QOAZKWVMAFCJET-LBPRGKRZSA-N 1 2 343.349 2.403 20 30 EEEDLO 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346.519 2.479 20 30 EEEDLO CC[C@H](CC1CCCC1)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046069981 1234403994 /nfs/dbraw/zinc/40/39/94/1234403994.db2.gz KTNRNXNMKDWDKF-RTBURBONSA-N 1 2 346.519 2.335 20 30 EEEDLO Cc1ncncc1C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046169970 1234511324 /nfs/dbraw/zinc/51/13/24/1234511324.db2.gz XLWFSNCQNJXHAB-LJQANCHMSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1ncncc1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046169970 1234511325 /nfs/dbraw/zinc/51/13/25/1234511325.db2.gz XLWFSNCQNJXHAB-LJQANCHMSA-N 1 2 335.411 2.051 20 30 EEEDLO C[C@@]1(NC(=O)c2ccncc2F)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046206795 1234554161 /nfs/dbraw/zinc/55/41/61/1234554161.db2.gz XJLVSMGZKMFPIN-LJQANCHMSA-N 1 2 338.386 2.487 20 30 EEEDLO C[C@@]1(NC(=O)c2ccncc2F)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046206795 1234554171 /nfs/dbraw/zinc/55/41/71/1234554171.db2.gz XJLVSMGZKMFPIN-LJQANCHMSA-N 1 2 338.386 2.487 20 30 EEEDLO CC(C)N1CC[NH+](CCC(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000900630245 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PTNNWLRCPDZMRG-UHFFFAOYSA-N 1 2 326.444 2.242 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001046844450 1235241997 /nfs/dbraw/zinc/24/19/97/1235241997.db2.gz AXLNZDJFCYRPQB-WMLDXEAASA-N 1 2 338.810 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001046844450 1235242000 /nfs/dbraw/zinc/24/20/00/1235242000.db2.gz AXLNZDJFCYRPQB-WMLDXEAASA-N 1 2 338.810 2.462 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096149296 1235449643 /nfs/dbraw/zinc/44/96/43/1235449643.db2.gz NUDLELNSIKBVND-RDJZCZTQSA-N 1 2 346.475 2.468 20 30 EEEDLO Cc1nc(NC[C@@H]2C[C@H](C)CCN2C(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001048120763 1237132300 /nfs/dbraw/zinc/13/23/00/1237132300.db2.gz KHJOJJYKWCUGSK-DOMZBBRYSA-N 1 2 338.415 2.338 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056456476 1239390471 /nfs/dbraw/zinc/39/04/71/1239390471.db2.gz QUFOELPKESRKHE-ZACQAIPSSA-N 1 2 344.459 2.077 20 30 EEEDLO 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/nfs/dbraw/zinc/16/09/69/1241160969.db2.gz XGOOVMDVZQFZIW-ZIAGYGMSSA-N 1 2 338.839 2.414 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2c3c(nn2C)CCC3)CC1 ZINC001001359865 1242128206 /nfs/dbraw/zinc/12/82/06/1242128206.db2.gz GWAAMDWSBYRGCM-UHFFFAOYSA-N 1 2 334.851 2.023 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2c3c(nn2C)CCC3)CC1 ZINC001001359865 1242128209 /nfs/dbraw/zinc/12/82/09/1242128209.db2.gz GWAAMDWSBYRGCM-UHFFFAOYSA-N 1 2 334.851 2.023 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc(C)s2)C1 ZINC001073549991 1242566561 /nfs/dbraw/zinc/56/65/61/1242566561.db2.gz AZQRXDUBZBYAKJ-LBPRGKRZSA-N 1 2 329.853 2.025 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnc(C)s2)C1 ZINC001073549991 1242566575 /nfs/dbraw/zinc/56/65/75/1242566575.db2.gz AZQRXDUBZBYAKJ-LBPRGKRZSA-N 1 2 329.853 2.025 20 30 EEEDLO N#Cc1ccc(N2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)cn1 ZINC001057255177 1242791064 /nfs/dbraw/zinc/79/10/64/1242791064.db2.gz WFAFVJDRRSYCCY-UHFFFAOYSA-N 1 2 346.394 2.182 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001073966797 1242826652 /nfs/dbraw/zinc/82/66/52/1242826652.db2.gz YJULUUVKQWPQIS-HUUCEWRRSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CCC[C@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001096862218 1243433374 /nfs/dbraw/zinc/43/33/74/1243433374.db2.gz UYFCVBKSXDNXQX-NVXWUHKLSA-N 1 2 346.475 2.441 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)nn1 ZINC001097054813 1243666200 /nfs/dbraw/zinc/66/62/00/1243666200.db2.gz ADUAXIXCDUNCFM-RLLQIKCJSA-N 1 2 346.434 2.172 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)nn1 ZINC001097054813 1243666205 /nfs/dbraw/zinc/66/62/05/1243666205.db2.gz ADUAXIXCDUNCFM-RLLQIKCJSA-N 1 2 346.434 2.172 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001097098044 1243691678 /nfs/dbraw/zinc/69/16/78/1243691678.db2.gz FBKPIGYCERNZKN-NJSLBKSFSA-N 1 2 343.475 2.126 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001097098044 1243691686 /nfs/dbraw/zinc/69/16/86/1243691686.db2.gz FBKPIGYCERNZKN-NJSLBKSFSA-N 1 2 343.475 2.126 20 30 EEEDLO C=CCCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050579843 1243882275 /nfs/dbraw/zinc/88/22/75/1243882275.db2.gz FVKMCVUYXRJPFM-LSDHHAIUSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC2(C1)CC[NH+](Cc1nnc(C)[nH]1)CC2 ZINC001050613968 1243960543 /nfs/dbraw/zinc/96/05/43/1243960543.db2.gz HAQQFCUOWUTIPW-UHFFFAOYSA-N 1 2 331.464 2.140 20 30 EEEDLO CC(C)(C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)c1c[nH+]c[nH]1 ZINC001057670875 1244638207 /nfs/dbraw/zinc/63/82/07/1244638207.db2.gz HCCLOKXPZSXDKG-CQSZACIVSA-N 1 2 338.415 2.057 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC001050956990 1244723289 /nfs/dbraw/zinc/72/32/89/1244723289.db2.gz HXEWQBCWRLKNNT-FUHWJXTLSA-N 1 2 343.471 2.003 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC001050956990 1244723298 /nfs/dbraw/zinc/72/32/98/1244723298.db2.gz HXEWQBCWRLKNNT-FUHWJXTLSA-N 1 2 343.471 2.003 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3nncn3C)CC2)CC1 ZINC001052682139 1244739869 /nfs/dbraw/zinc/73/98/69/1244739869.db2.gz PQRWOGGYNWDIPP-INIZCTEOSA-N 1 2 331.464 2.032 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3nncn3C)CC2)CC1 ZINC001052682139 1244739879 /nfs/dbraw/zinc/73/98/79/1244739879.db2.gz PQRWOGGYNWDIPP-INIZCTEOSA-N 1 2 331.464 2.032 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CCc2ccccc2)cc1 ZINC001051060637 1244926145 /nfs/dbraw/zinc/92/61/45/1244926145.db2.gz HOXQUKAVRWWCCQ-NRFANRHFSA-N 1 2 348.446 2.341 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CCc2ccccc2)cc1 ZINC001051060637 1244926149 /nfs/dbraw/zinc/92/61/49/1244926149.db2.gz HOXQUKAVRWWCCQ-NRFANRHFSA-N 1 2 348.446 2.341 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1sc(CC)nc1C ZINC001051162673 1245067683 /nfs/dbraw/zinc/06/76/83/1245067683.db2.gz XMFXRGDXUNDRKK-AWEZNQCLSA-N 1 2 337.489 2.411 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1sc(CC)nc1C ZINC001051162673 1245067690 /nfs/dbraw/zinc/06/76/90/1245067690.db2.gz XMFXRGDXUNDRKK-AWEZNQCLSA-N 1 2 337.489 2.411 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CCCC2CCC2)cn1 ZINC001051216741 1245402887 /nfs/dbraw/zinc/40/28/87/1245402887.db2.gz LPRVUHWJAFSFGR-IBGZPJMESA-N 1 2 341.455 2.074 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CCCC2CCC2)cn1 ZINC001051216741 1245402892 /nfs/dbraw/zinc/40/28/92/1245402892.db2.gz LPRVUHWJAFSFGR-IBGZPJMESA-N 1 2 341.455 2.074 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001052865706 1245411108 /nfs/dbraw/zinc/41/11/08/1245411108.db2.gz BMYKDIHJLKHWKR-HOTGVXAUSA-N 1 2 346.475 2.086 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2n[nH]nc2-c2ccccc2)CC1 ZINC001052960309 1245559501 /nfs/dbraw/zinc/55/95/01/1245559501.db2.gz RLLWLMOMWFOXMK-MRXNPFEDSA-N 1 2 337.427 2.079 20 30 EEEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2n[nH]nc2-c2ccccc2)CC1 ZINC001052960309 1245559506 /nfs/dbraw/zinc/55/95/06/1245559506.db2.gz RLLWLMOMWFOXMK-MRXNPFEDSA-N 1 2 337.427 2.079 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCC1(C)C)C2 ZINC001111480363 1245564219 /nfs/dbraw/zinc/56/42/19/1245564219.db2.gz QFFPWMPURKPNKH-TWMKSMIVSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCC1(C)C)C2 ZINC001111480363 1245564226 /nfs/dbraw/zinc/56/42/26/1245564226.db2.gz QFFPWMPURKPNKH-TWMKSMIVSA-N 1 2 347.503 2.227 20 30 EEEDLO N#Cc1ccc(N(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C2CC2)nc1 ZINC001101466687 1245868103 /nfs/dbraw/zinc/86/81/03/1245868103.db2.gz MFVYYUJPMLRFRM-UHFFFAOYSA-N 1 2 346.394 2.228 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1c(C)noc1CCC)CCO2 ZINC001053253622 1246098398 /nfs/dbraw/zinc/09/83/98/1246098398.db2.gz RYOKDNQLQHPWER-UHFFFAOYSA-N 1 2 333.432 2.038 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cncc3sccc31)CCO2 ZINC001053391860 1246274071 /nfs/dbraw/zinc/27/40/71/1246274071.db2.gz DTVZFKQMMCYYLK-UHFFFAOYSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1noc3c1CCCCC3)CCO2 ZINC001053451436 1246344272 /nfs/dbraw/zinc/34/42/72/1246344272.db2.gz HDEWCHLEHGATEQ-UHFFFAOYSA-N 1 2 345.443 2.046 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1csc(C3CC3)n1)CCO2 ZINC001053460186 1246358426 /nfs/dbraw/zinc/35/84/26/1246358426.db2.gz UYPMRMQFGWNJAI-UHFFFAOYSA-N 1 2 347.484 2.052 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)c1cc(C)oc1C)CCO2 ZINC001053472130 1246370824 /nfs/dbraw/zinc/37/08/24/1246370824.db2.gz LTJVCODMUNFMFM-OAHLLOKOSA-N 1 2 332.444 2.489 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)C2)CC1 ZINC001052031037 1246396776 /nfs/dbraw/zinc/39/67/76/1246396776.db2.gz BTFYYSGZTDQFCO-WOJBJXKFSA-N 1 2 343.515 2.365 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C3(C)CCCCCC3)C2)CC1 ZINC001052037553 1246405948 /nfs/dbraw/zinc/40/59/48/1246405948.db2.gz NMZLKCSIBMEENX-SFHVURJKSA-N 1 2 331.504 2.199 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1Cc3ccc(Cl)cc31)CCO2 ZINC001053520938 1246426231 /nfs/dbraw/zinc/42/62/31/1246426231.db2.gz SYHCMCCXBZSTBX-KRWDZBQOSA-N 1 2 346.858 2.469 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)COc1ccc(CC)cc1)CCO2 ZINC001053522259 1246429145 /nfs/dbraw/zinc/42/91/45/1246429145.db2.gz WLQKQLCCVWZQRC-UHFFFAOYSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CCOc1ccc(CC(=O)N2CCOC3(C[NH+](CCC)C3)C2)cc1 ZINC001053545033 1246456242 /nfs/dbraw/zinc/45/62/42/1246456242.db2.gz LEBHDPNXZYBFOL-UHFFFAOYSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CCOc1ccccc1C(=O)NC[C@H]1CCC2(C[NH+](CC=C)C2)O1 ZINC001053618672 1246542484 /nfs/dbraw/zinc/54/24/84/1246542484.db2.gz CEUCAAMJHBSYLI-MRXNPFEDSA-N 1 2 342.439 2.401 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C)c(C)cn1)O2 ZINC001053638876 1246572818 /nfs/dbraw/zinc/57/28/18/1246572818.db2.gz YQPUWFQBMGOKDA-INIZCTEOSA-N 1 2 329.444 2.238 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc3n[nH]cc31)O2 ZINC001053642112 1246577434 /nfs/dbraw/zinc/57/74/34/1246577434.db2.gz WXTBCAMCGZYKQZ-CQSZACIVSA-N 1 2 340.427 2.102 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cncnc1C(C)C)O2 ZINC001053700004 1246675452 /nfs/dbraw/zinc/67/54/52/1246675452.db2.gz MJHSCCBLOXHPQU-HNNXBMFYSA-N 1 2 344.459 2.139 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1sccc1C)CO2 ZINC001053801035 1246805629 /nfs/dbraw/zinc/80/56/29/1246805629.db2.gz CLTXRSQLJZVZJC-ARFHVFGLSA-N 1 2 344.480 2.143 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1scnc1C(F)F)CO2 ZINC001053868818 1246942085 /nfs/dbraw/zinc/94/20/85/1246942085.db2.gz WMPBVUPVFCHXTO-SNVBAGLBSA-N 1 2 343.399 2.230 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1csc(C3CC3)n1)CO2 ZINC001053946829 1247049927 /nfs/dbraw/zinc/04/99/27/1247049927.db2.gz FGMGMYKFGJXGFG-HNNXBMFYSA-N 1 2 347.484 2.099 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3c(c1)C=CCC3)CO2 ZINC001053951959 1247058518 /nfs/dbraw/zinc/05/85/18/1247058518.db2.gz IRKNYIZHDXDRAM-IBGZPJMESA-N 1 2 336.435 2.242 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3c(c1)C[C@H](C)O3)CO2 ZINC001053955998 1247064239 /nfs/dbraw/zinc/06/42/39/1247064239.db2.gz WSJKQKWMWWLLDF-WMLDXEAASA-N 1 2 342.439 2.159 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(CC(C)C)cc1)CO2 ZINC001054004086 1247137162 /nfs/dbraw/zinc/13/71/62/1247137162.db2.gz HIZMRDRHHTUWLZ-LJQANCHMSA-N 1 2 340.467 2.482 20 30 EEEDLO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(OCC)no1 ZINC001054047840 1247230350 /nfs/dbraw/zinc/23/03/50/1247230350.db2.gz NQLRSJSGPFAGMY-INIZCTEOSA-N 1 2 341.411 2.416 20 30 EEEDLO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(OCC)no1 ZINC001054047840 1247230361 /nfs/dbraw/zinc/23/03/61/1247230361.db2.gz NQLRSJSGPFAGMY-INIZCTEOSA-N 1 2 341.411 2.416 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(C(F)F)nn3C)cc2C1 ZINC001054273896 1247972817 /nfs/dbraw/zinc/97/28/17/1247972817.db2.gz GZWRZJHZJNJNSU-UHFFFAOYSA-N 1 2 344.365 2.237 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(C(F)F)nn3C)cc2C1 ZINC001054273896 1247972825 /nfs/dbraw/zinc/97/28/25/1247972825.db2.gz GZWRZJHZJNJNSU-UHFFFAOYSA-N 1 2 344.365 2.237 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3scnc3COC)cc2C1 ZINC001054285161 1248005678 /nfs/dbraw/zinc/00/56/78/1248005678.db2.gz VFXBZSSTHVXTPU-UHFFFAOYSA-N 1 2 341.436 2.168 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3scnc3COC)cc2C1 ZINC001054285161 1248005690 /nfs/dbraw/zinc/00/56/90/1248005690.db2.gz VFXBZSSTHVXTPU-UHFFFAOYSA-N 1 2 341.436 2.168 20 30 EEEDLO C[C@@H]1C[C@@H](CNc2cccc(F)c2C#N)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001068347731 1250860718 /nfs/dbraw/zinc/86/07/18/1250860718.db2.gz NBFYAHKIFIZPTR-OLZOCXBDSA-N 1 2 341.390 2.312 20 30 EEEDLO Cc1nc(N[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C)ccc1C#N ZINC001068828533 1251750244 /nfs/dbraw/zinc/75/02/44/1251750244.db2.gz FSCGLAWYUJCNDU-DZGCQCFKSA-N 1 2 338.415 2.019 20 30 EEEDLO C[C@@H]1[C@@H](Nc2cccc(F)c2C#N)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001068885981 1251852392 /nfs/dbraw/zinc/85/23/92/1251852392.db2.gz BVYGVBMYRIPTPL-RISCZKNCSA-N 1 2 327.363 2.064 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC1(CC)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001069646203 1253085344 /nfs/dbraw/zinc/08/53/44/1253085344.db2.gz FJNXNJFQFSEPBM-HNNXBMFYSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1ccc[nH]1)C[C@H](C)O2 ZINC001071243308 1254084868 /nfs/dbraw/zinc/08/48/68/1254084868.db2.gz DMHFYUVHVLKPHN-WMLDXEAASA-N 1 2 337.851 2.002 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1ccc[nH]1)C[C@H](C)O2 ZINC001071243308 1254084872 /nfs/dbraw/zinc/08/48/72/1254084872.db2.gz DMHFYUVHVLKPHN-WMLDXEAASA-N 1 2 337.851 2.002 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3C#N)C2)cnn1 ZINC001071471468 1254240342 /nfs/dbraw/zinc/24/03/42/1254240342.db2.gz ZNPMRNXFCFQSGK-DNVCBOLYSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ccccc3C#N)C2)cnn1 ZINC001071471468 1254240349 /nfs/dbraw/zinc/24/03/49/1254240349.db2.gz ZNPMRNXFCFQSGK-DNVCBOLYSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3ccccc3C#N)C2)cnn1 ZINC001071471470 1254240675 /nfs/dbraw/zinc/24/06/75/1254240675.db2.gz ZNPMRNXFCFQSGK-KXBFYZLASA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3ccccc3C#N)C2)cnn1 ZINC001071471470 1254240686 /nfs/dbraw/zinc/24/06/86/1254240686.db2.gz ZNPMRNXFCFQSGK-KXBFYZLASA-N 1 2 349.438 2.440 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cn(C3CCC3)nn2)CC[C@H]1C ZINC001071511411 1254301228 /nfs/dbraw/zinc/30/12/28/1254301228.db2.gz LYGRQKOBFNMXGW-CHWSQXEVSA-N 1 2 337.855 2.338 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cn(C3CCC3)nn2)CC[C@H]1C ZINC001071511411 1254301236 /nfs/dbraw/zinc/30/12/36/1254301236.db2.gz LYGRQKOBFNMXGW-CHWSQXEVSA-N 1 2 337.855 2.338 20 30 EEEDLO Cc1nnccc1C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001071653369 1254479872 /nfs/dbraw/zinc/47/98/72/1254479872.db2.gz XHAIFMWGOGGBJD-KSSFIOAISA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1nnccc1C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001071653369 1254479880 /nfs/dbraw/zinc/47/98/80/1254479880.db2.gz XHAIFMWGOGGBJD-KSSFIOAISA-N 1 2 349.438 2.440 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2cnco2)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001071719864 1254566604 /nfs/dbraw/zinc/56/66/04/1254566604.db2.gz ZUWHNVVHHRVIPE-RHSMWYFYSA-N 1 2 341.386 2.448 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2cnco2)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC001071719864 1254566615 /nfs/dbraw/zinc/56/66/15/1254566615.db2.gz ZUWHNVVHHRVIPE-RHSMWYFYSA-N 1 2 341.386 2.448 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1nccs1)C2 ZINC001073051282 1255613559 /nfs/dbraw/zinc/61/35/59/1255613559.db2.gz WRADCWSPTBTDAM-HOCLYGCPSA-N 1 2 347.484 2.159 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1nccs1)C2 ZINC001073051282 1255613564 /nfs/dbraw/zinc/61/35/64/1255613564.db2.gz WRADCWSPTBTDAM-HOCLYGCPSA-N 1 2 347.484 2.159 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001074090287 1256692434 /nfs/dbraw/zinc/69/24/34/1256692434.db2.gz MXQKCGWNPUTZPB-UKRRQHHQSA-N 1 2 346.475 2.216 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)CCC1 ZINC001074210198 1256783328 /nfs/dbraw/zinc/78/33/28/1256783328.db2.gz KLZRZWCMEUJIPZ-ZBFHGGJFSA-N 1 2 344.459 2.052 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc4ncccc4c3)C[C@@H]21 ZINC001074331868 1256915459 /nfs/dbraw/zinc/91/54/59/1256915459.db2.gz OGRHGEQNCYOFMJ-PMACEKPBSA-N 1 2 349.434 2.173 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc4ncccc4c3)C[C@@H]21 ZINC001074331868 1256915461 /nfs/dbraw/zinc/91/54/61/1256915461.db2.gz OGRHGEQNCYOFMJ-PMACEKPBSA-N 1 2 349.434 2.173 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4c(c3)CCO4)C[C@H]21 ZINC001074346619 1256924897 /nfs/dbraw/zinc/92/48/97/1256924897.db2.gz RCTFEACLGVGPKN-IEBWSBKVSA-N 1 2 342.439 2.113 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4c(c3)CCO4)C[C@H]21 ZINC001074346619 1256924903 /nfs/dbraw/zinc/92/49/03/1256924903.db2.gz RCTFEACLGVGPKN-IEBWSBKVSA-N 1 2 342.439 2.113 20 30 EEEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3sc(C)nc3C)C[C@@H]21 ZINC001074398341 1256983087 /nfs/dbraw/zinc/98/30/87/1256983087.db2.gz WRPOUYWXEYKAKU-GJZGRUSLSA-N 1 2 335.473 2.251 20 30 EEEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3sc(C)nc3C)C[C@@H]21 ZINC001074398341 1256983093 /nfs/dbraw/zinc/98/30/93/1256983093.db2.gz WRPOUYWXEYKAKU-GJZGRUSLSA-N 1 2 335.473 2.251 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC001074887596 1257194461 /nfs/dbraw/zinc/19/44/61/1257194461.db2.gz XCHMBEXRKRPJPO-GOEBONIOSA-N 1 2 345.443 2.095 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001075037145 1257291357 /nfs/dbraw/zinc/29/13/57/1257291357.db2.gz VQLBCHQGNCRREG-CVEARBPZSA-N 1 2 344.459 2.032 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001075037145 1257291366 /nfs/dbraw/zinc/29/13/66/1257291366.db2.gz VQLBCHQGNCRREG-CVEARBPZSA-N 1 2 344.459 2.032 20 30 EEEDLO N#Cc1cccnc1N[C@H]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001098644282 1257739937 /nfs/dbraw/zinc/73/99/37/1257739937.db2.gz PDKTYWKDNRNZJA-CVEARBPZSA-N 1 2 338.415 2.079 20 30 EEEDLO C#CCOCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nocc1C ZINC001099069124 1257953084 /nfs/dbraw/zinc/95/30/84/1257953084.db2.gz BHEIPAJCIVQDPJ-MRXNPFEDSA-N 1 2 347.459 2.130 20 30 EEEDLO C#CCOCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nocc1C ZINC001099069124 1257953090 /nfs/dbraw/zinc/95/30/90/1257953090.db2.gz BHEIPAJCIVQDPJ-MRXNPFEDSA-N 1 2 347.459 2.130 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](Cc2nc(C)sc2C)C[C@H]1O ZINC001099855833 1258424120 /nfs/dbraw/zinc/42/41/20/1258424120.db2.gz OEYGYMPAXILISL-GOEBONIOSA-N 1 2 337.489 2.168 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2nc(C)sc2C)C[C@H]1O ZINC001099855833 1258424126 /nfs/dbraw/zinc/42/41/26/1258424126.db2.gz OEYGYMPAXILISL-GOEBONIOSA-N 1 2 337.489 2.168 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)c(C)o3)C[C@H]2O)CCC1 ZINC001099998436 1258483986 /nfs/dbraw/zinc/48/39/86/1258483986.db2.gz GXLMDXOXLJPNJQ-HZPDHXFCSA-N 1 2 347.459 2.089 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C)c(C)o3)C[C@H]2O)CCC1 ZINC001099998436 1258483989 /nfs/dbraw/zinc/48/39/89/1258483989.db2.gz GXLMDXOXLJPNJQ-HZPDHXFCSA-N 1 2 347.459 2.089 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC(C)(C)C1)C2 ZINC001111476796 1258565543 /nfs/dbraw/zinc/56/55/43/1258565543.db2.gz CRAXROYLOPKGEX-VQHPVUNQSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC(C)(C)C1)C2 ZINC001111476796 1258565550 /nfs/dbraw/zinc/56/55/50/1258565550.db2.gz CRAXROYLOPKGEX-VQHPVUNQSA-N 1 2 347.503 2.227 20 30 EEEDLO Cc1cc(N2CCC[C@@H]2CNC(=O)CSCC#N)nc(C(C)C)[nH+]1 ZINC001100787320 1259257055 /nfs/dbraw/zinc/25/70/55/1259257055.db2.gz AADORLRJKNKJNL-CQSZACIVSA-N 1 2 347.488 2.250 20 30 EEEDLO Cc1nc(N2CC[C@H](CNC(=O)CC#Cc3ccccc3)C2)cc[nH+]1 ZINC001100983273 1259518552 /nfs/dbraw/zinc/51/85/52/1259518552.db2.gz NUXMXUWBEPYAQQ-GOSISDBHSA-N 1 2 334.423 2.169 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001100990690 1259530304 /nfs/dbraw/zinc/53/03/04/1259530304.db2.gz ZBCPNKPRXOCZJR-HUUCEWRRSA-N 1 2 344.459 2.196 20 30 EEEDLO C=CCN1C(=O)COCC12C[NH+](CCc1ccc(F)cc1Cl)C2 ZINC001273482924 1278582853 /nfs/dbraw/zinc/58/28/53/1278582853.db2.gz XNYFOFZDIHTKPM-UHFFFAOYSA-N 1 2 338.810 2.121 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@H](n2cc(C[NH2+]CCF)nn2)C1 ZINC001185992180 1278880708 /nfs/dbraw/zinc/88/07/08/1278880708.db2.gz FXIVGDFQSKDTFX-HOCLYGCPSA-N 1 2 337.443 2.103 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)n1 ZINC001110391304 1279429324 /nfs/dbraw/zinc/42/93/24/1279429324.db2.gz GNHYKPQNPBBNAT-KFWWJZLASA-N 1 2 335.835 2.159 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)n1 ZINC001110391304 1279429331 /nfs/dbraw/zinc/42/93/31/1279429331.db2.gz GNHYKPQNPBBNAT-KFWWJZLASA-N 1 2 335.835 2.159 20 30 EEEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C#C[Si](C)(C)C)cc1 ZINC001189176686 1280182017 /nfs/dbraw/zinc/18/20/17/1280182017.db2.gz IAQAAVRERHONLG-INIZCTEOSA-N 1 2 344.531 2.366 20 30 EEEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(C#C[Si](C)(C)C)cc1 ZINC001189176686 1280182022 /nfs/dbraw/zinc/18/20/22/1280182022.db2.gz IAQAAVRERHONLG-INIZCTEOSA-N 1 2 344.531 2.366 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC001189252600 1280202519 /nfs/dbraw/zinc/20/25/19/1280202519.db2.gz YKDUOOBWQKFLIH-BBRMVZONSA-N 1 2 337.489 2.465 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2csc(C)n2)C1 ZINC001189252600 1280202527 /nfs/dbraw/zinc/20/25/27/1280202527.db2.gz YKDUOOBWQKFLIH-BBRMVZONSA-N 1 2 337.489 2.465 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)CCCCOC)C1 ZINC001189260048 1280228044 /nfs/dbraw/zinc/22/80/44/1280228044.db2.gz DQPMJSFITZPRCK-CYBMUJFWSA-N 1 2 333.270 2.244 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)CCCCOC)C1 ZINC001189260048 1280228052 /nfs/dbraw/zinc/22/80/52/1280228052.db2.gz DQPMJSFITZPRCK-CYBMUJFWSA-N 1 2 333.270 2.244 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cc3n(n2)CCCC3)C1 ZINC001189744063 1280473463 /nfs/dbraw/zinc/47/34/63/1280473463.db2.gz LQJNAOPXPSATCT-LJQANCHMSA-N 1 2 342.487 2.446 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc3n(n2)CCCC3)C1 ZINC001189744063 1280473471 /nfs/dbraw/zinc/47/34/71/1280473471.db2.gz LQJNAOPXPSATCT-LJQANCHMSA-N 1 2 342.487 2.446 20 30 EEEDLO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2F)C1 ZINC001189925868 1280559037 /nfs/dbraw/zinc/55/90/37/1280559037.db2.gz HJGRQQSFDKQGNL-OAHLLOKOSA-N 1 2 345.418 2.100 20 30 EEEDLO C#CCCCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2F)C1 ZINC001189925868 1280559044 /nfs/dbraw/zinc/55/90/44/1280559044.db2.gz HJGRQQSFDKQGNL-OAHLLOKOSA-N 1 2 345.418 2.100 20 30 EEEDLO Cc1ncc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)cc1C#N ZINC001192294771 1281918066 /nfs/dbraw/zinc/91/80/66/1281918066.db2.gz XQTWRGJUDHKPQG-OAHLLOKOSA-N 1 2 334.370 2.207 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)CC2CCC2)CC1 ZINC001193542532 1282545827 /nfs/dbraw/zinc/54/58/27/1282545827.db2.gz KQNKZDHJPIGNNR-UHFFFAOYSA-N 1 2 347.484 2.242 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001194396684 1283029377 /nfs/dbraw/zinc/02/93/77/1283029377.db2.gz HNULKXDXJLZDRJ-QGZVFWFLSA-N 1 2 334.464 2.089 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC001194396684 1283029388 /nfs/dbraw/zinc/02/93/88/1283029388.db2.gz HNULKXDXJLZDRJ-QGZVFWFLSA-N 1 2 334.464 2.089 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001194407088 1283036789 /nfs/dbraw/zinc/03/67/89/1283036789.db2.gz HFSGVNRVXFASDB-CABCVRRESA-N 1 2 347.459 2.177 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001194407088 1283036802 /nfs/dbraw/zinc/03/68/02/1283036802.db2.gz HFSGVNRVXFASDB-CABCVRRESA-N 1 2 347.459 2.177 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccoc2C)CC1 ZINC001194761198 1283291898 /nfs/dbraw/zinc/29/18/98/1283291898.db2.gz DABURSPWGZTUGD-UHFFFAOYSA-N 1 2 347.459 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ZINC001232677351 1304213456 /nfs/dbraw/zinc/21/34/56/1304213456.db2.gz LKOGRFMVKGHFIK-QXAKKESOSA-N 1 2 328.412 2.422 20 30 EEEDLO Cc1ccc(CN2CCc3[nH+]cc(Cn4cccn4)n3CC2)c(C#N)c1 ZINC001232965191 1304309292 /nfs/dbraw/zinc/30/92/92/1304309292.db2.gz PVIZBUNNJXCJQD-UHFFFAOYSA-N 1 2 346.438 2.366 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](Cc3[nH]nc4cc(F)ccc43)CC2)c1 ZINC001233123411 1304368406 /nfs/dbraw/zinc/36/84/06/1304368406.db2.gz QJSLKTUIPWVKQF-UHFFFAOYSA-N 1 2 336.374 2.291 20 30 EEEDLO Cc1nc(N[C@@H]2CN(C(=O)CC#Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC001112316618 1304456620 /nfs/dbraw/zinc/45/66/20/1304456620.db2.gz MMDQASORJNUDGZ-MAUKXSAKSA-N 1 2 334.423 2.486 20 30 EEEDLO Cc1cc(Br)cc(C#N)c1OC[C@H]1C[N@H+](C)CCO1 ZINC001234012817 1304684749 /nfs/dbraw/zinc/68/47/49/1304684749.db2.gz HDDIYCUPLMXFJV-CYBMUJFWSA-N 1 2 325.206 2.339 20 30 EEEDLO Cc1cc(Br)cc(C#N)c1OC[C@H]1C[N@@H+](C)CCO1 ZINC001234012817 1304684756 /nfs/dbraw/zinc/68/47/56/1304684756.db2.gz HDDIYCUPLMXFJV-CYBMUJFWSA-N 1 2 325.206 2.339 20 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339.414 2.341 20 30 EEEDLO COc1cc(C#N)cnc1-c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001240447696 1309327095 /nfs/dbraw/zinc/32/70/95/1309327095.db2.gz OORURMSROTYBFU-UHFFFAOYSA-N 1 2 339.395 2.340 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H](Nc2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC001123290755 1310516281 /nfs/dbraw/zinc/51/62/81/1310516281.db2.gz RKONVAKJFQIOBP-CHWSQXEVSA-N 1 2 328.420 2.121 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@H]1C ZINC001123523112 1310601852 /nfs/dbraw/zinc/60/18/52/1310601852.db2.gz QJZIEQMYMQSHBY-GOEBONIOSA-N 1 2 332.448 2.078 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCN(c2[nH+]cnc3c2cnn3C)[C@@H]1C ZINC001123652754 1310662690 /nfs/dbraw/zinc/66/26/90/1310662690.db2.gz HIFJCTLVIYHTPZ-TZMCWYRMSA-N 1 2 342.447 2.049 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CCCN(c2[nH+]cnc3c2cnn3C)[C@H]1C ZINC001123663043 1310668922 /nfs/dbraw/zinc/66/89/22/1310668922.db2.gz SFHVUFPBSIEESF-DZGCQCFKSA-N 1 2 342.447 2.193 20 30 EEEDLO C=CCONC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000838706724 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348.491 2.038 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C)CCCOC)C1 ZINC001150555182 1316299212 /nfs/dbraw/zinc/29/92/12/1316299212.db2.gz YTNUADKRKVNDEO-DZGCQCFKSA-N 1 2 332.872 2.009 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C)CCCOC)C1 ZINC001150555182 1316299216 /nfs/dbraw/zinc/29/92/16/1316299216.db2.gz YTNUADKRKVNDEO-DZGCQCFKSA-N 1 2 332.872 2.009 20 30 EEEDLO CC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001150633496 1316321980 /nfs/dbraw/zinc/32/19/80/1316321980.db2.gz GBXYGMRGCOLTBC-MRXNPFEDSA-N 1 2 347.434 2.451 20 30 EEEDLO CC(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001150633496 1316321983 /nfs/dbraw/zinc/32/19/83/1316321983.db2.gz GBXYGMRGCOLTBC-MRXNPFEDSA-N 1 2 347.434 2.451 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1coc(C)n1 ZINC001152975188 1316751809 /nfs/dbraw/zinc/75/18/09/1316751809.db2.gz NRMAFDPTIKCAQQ-SNVBAGLBSA-N 1 2 330.226 2.332 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1coc(C)n1 ZINC001152975188 1316751812 /nfs/dbraw/zinc/75/18/12/1316751812.db2.gz NRMAFDPTIKCAQQ-SNVBAGLBSA-N 1 2 330.226 2.332 20 30 EEEDLO CNC(=O)c1cc(C#N)cc(C)c1NC(=O)c1cccc2[nH+]ccn21 ZINC001154524595 1317182242 /nfs/dbraw/zinc/18/22/42/1317182242.db2.gz XVKOVYJLTJKOEV-UHFFFAOYSA-N 1 2 333.351 2.126 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccn1CC ZINC001155757601 1317725159 /nfs/dbraw/zinc/72/51/59/1317725159.db2.gz YLOLGQHJAWAPLV-RYRKJORJSA-N 1 2 348.491 2.211 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1nccn1CC ZINC001155757601 1317725162 /nfs/dbraw/zinc/72/51/62/1317725162.db2.gz YLOLGQHJAWAPLV-RYRKJORJSA-N 1 2 348.491 2.211 20 30 EEEDLO CCCCCCCCCC[C@H](O)C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC001252986202 1317746341 /nfs/dbraw/zinc/74/63/41/1317746341.db2.gz UBXWCLUXNYGSRE-KRWDZBQOSA-N 1 2 348.553 2.455 20 30 EEEDLO C=C[C@@H](O)CNc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c[nH+]1 ZINC001253567811 1317883717 /nfs/dbraw/zinc/88/37/17/1317883717.db2.gz UFTDQPKGFWLBDO-OAHLLOKOSA-N 1 2 348.447 2.098 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NCCC1=CC[N@H+]([C@@H](C)c2ncccn2)CC1 ZINC001159979342 1320039893 /nfs/dbraw/zinc/03/98/93/1320039893.db2.gz MSMBTSUXCXZQLA-HNAYVOBHSA-N 1 2 344.459 2.003 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ncccn2)CC1 ZINC001159979342 1320039898 /nfs/dbraw/zinc/03/98/98/1320039898.db2.gz MSMBTSUXCXZQLA-HNAYVOBHSA-N 1 2 344.459 2.003 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)C#CC2CC2)CC1 ZINC001160081629 1320066092 /nfs/dbraw/zinc/06/60/92/1320066092.db2.gz RRHXQKYLWJCLFW-UHFFFAOYSA-N 1 2 337.261 2.447 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)C#CC2CC2)CC1 ZINC001160081629 1320066095 /nfs/dbraw/zinc/06/60/95/1320066095.db2.gz RRHXQKYLWJCLFW-UHFFFAOYSA-N 1 2 337.261 2.447 20 30 EEEDLO C#CCCN1CCC[C@H](Nc2[nH+]cc(C)cc2C(OC)OC)C1=O ZINC001160899654 1320308987 /nfs/dbraw/zinc/30/89/87/1320308987.db2.gz JYTFYQWJFGFYCR-HNNXBMFYSA-N 1 2 331.416 2.108 20 30 EEEDLO Cc1nc(NC2CC[NH+](CC(=O)c3ccccc3)CC2)cnc1C#N ZINC001161147422 1320401083 /nfs/dbraw/zinc/40/10/83/1320401083.db2.gz TUJJQPXHRQZEKR-UHFFFAOYSA-N 1 2 335.411 2.416 20 30 EEEDLO C=CCOC[C@H]1CCC[C@@]12CN(c1cc(N(C)C)[nH+]cn1)CCO2 ZINC001166368288 1321707313 /nfs/dbraw/zinc/70/73/13/1321707313.db2.gz ZXIZLABVBMBLKJ-CRAIPNDOSA-N 1 2 332.448 2.121 20 30 EEEDLO C=CCOC[C@H]1CCC[C@@]12CN(c1cc(N(C)C)nc[nH+]1)CCO2 ZINC001166368288 1321707314 /nfs/dbraw/zinc/70/73/14/1321707314.db2.gz ZXIZLABVBMBLKJ-CRAIPNDOSA-N 1 2 332.448 2.121 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cccc(C#N)c2)C[C@@H]1CCO ZINC001203764481 1321956343 /nfs/dbraw/zinc/95/63/43/1321956343.db2.gz QNACUPZKLYMREY-KRWDZBQOSA-N 1 2 345.443 2.362 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1CCO ZINC001203764481 1321956345 /nfs/dbraw/zinc/95/63/45/1321956345.db2.gz QNACUPZKLYMREY-KRWDZBQOSA-N 1 2 345.443 2.362 20 30 EEEDLO CCCCCCC/C=C/C[NH+]1CC2(CN(S(=O)(=O)N(C)C)C2)C1 ZINC001276457182 1322120789 /nfs/dbraw/zinc/12/07/89/1322120789.db2.gz IXSSIUAEPLMCQV-ZHACJKMWSA-N 1 2 343.537 2.327 20 30 EEEDLO Cn1ccnc1C[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001205150181 1322298841 /nfs/dbraw/zinc/29/88/41/1322298841.db2.gz VXCRLSNVCQIAJK-UHFFFAOYSA-N 1 2 338.415 2.078 20 30 EEEDLO CC(=O)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001205983975 1323361433 /nfs/dbraw/zinc/36/14/33/1323361433.db2.gz QIKCXVDRPXPMEQ-FZKQIMNGSA-N 1 2 345.418 2.393 20 30 EEEDLO CC(=O)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001205983975 1323361440 /nfs/dbraw/zinc/36/14/40/1323361440.db2.gz QIKCXVDRPXPMEQ-FZKQIMNGSA-N 1 2 345.418 2.393 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2)C[C@H]1C ZINC001206939802 1323724710 /nfs/dbraw/zinc/72/47/10/1323724710.db2.gz VBTCSRDQZXZYAT-SOLBZPMBSA-N 1 2 341.455 2.110 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2)C[C@H]1C ZINC001206939802 1323724717 /nfs/dbraw/zinc/72/47/17/1323724717.db2.gz VBTCSRDQZXZYAT-SOLBZPMBSA-N 1 2 341.455 2.110 20 30 EEEDLO Cn1cc(C[N@H+]2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)cc1C#N ZINC001207104162 1323850109 /nfs/dbraw/zinc/85/01/09/1323850109.db2.gz MKCQOVZLSPIENK-HZPDHXFCSA-N 1 2 330.432 2.480 20 30 EEEDLO Cn1cc(C[N@@H+]2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)cc1C#N ZINC001207104162 1323850102 /nfs/dbraw/zinc/85/01/02/1323850102.db2.gz MKCQOVZLSPIENK-HZPDHXFCSA-N 1 2 330.432 2.480 20 30 EEEDLO C=CCOCCCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001207740791 1324118876 /nfs/dbraw/zinc/11/88/76/1324118876.db2.gz GAKCDUZGYTZGAO-ZFWWWQNUSA-N 1 2 336.436 2.002 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2nccn2CC)C[C@H]1C ZINC001208129354 1324328652 /nfs/dbraw/zinc/32/86/52/1324328652.db2.gz TYHAISSCMCFGHN-MDZRGWNJSA-N 1 2 348.491 2.068 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2nccn2CC)C[C@H]1C ZINC001208129354 1324328660 /nfs/dbraw/zinc/32/86/60/1324328660.db2.gz TYHAISSCMCFGHN-MDZRGWNJSA-N 1 2 348.491 2.068 20 30 EEEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCn3c(CNC(C)=O)nnc3C2)CC1 ZINC001208175327 1324345220 /nfs/dbraw/zinc/34/52/20/1324345220.db2.gz TYAJQAOBHBTROW-MRXNPFEDSA-N 1 2 329.448 2.032 20 30 EEEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCn3c(CNC(C)=O)nnc3C2)CC1 ZINC001208175327 1324345223 /nfs/dbraw/zinc/34/52/23/1324345223.db2.gz TYAJQAOBHBTROW-MRXNPFEDSA-N 1 2 329.448 2.032 20 30 EEEDLO COC[C@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001209896117 1325088424 /nfs/dbraw/zinc/08/84/24/1325088424.db2.gz JMEFFXKWTPKHOM-HBUWYVDXSA-N 1 2 347.434 2.306 20 30 EEEDLO COC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001209896117 1325088430 /nfs/dbraw/zinc/08/84/30/1325088430.db2.gz JMEFFXKWTPKHOM-HBUWYVDXSA-N 1 2 347.434 2.306 20 30 EEEDLO S=C(NCc1cccnc1)NN=C1CC[N@H+](Cc2ccccc2)C1 ZINC001317737176 1332393434 /nfs/dbraw/zinc/39/34/34/1332393434.db2.gz KPXHDPYLNWHRKN-UHFFFAOYSA-N 1 2 339.468 2.308 20 30 EEEDLO S=C(NCc1cccnc1)NN=C1CC[N@@H+](Cc2ccccc2)C1 ZINC001317737176 1332393438 /nfs/dbraw/zinc/39/34/38/1332393438.db2.gz KPXHDPYLNWHRKN-UHFFFAOYSA-N 1 2 339.468 2.308 20 30 EEEDLO C=CCn1c(Nc2cnn(C)c2)nnc1C1CC[NH+](CCC#N)CC1 ZINC001340491763 1337195021 /nfs/dbraw/zinc/19/50/21/1337195021.db2.gz LQFIZQKREAVGSN-UHFFFAOYSA-N 1 2 340.435 2.034 20 30 EEEDLO C=CCc1cc(CNC(=O)CCc2[nH+]ccn2C)cc(OC)c1OC ZINC001348739783 1337571754 /nfs/dbraw/zinc/57/17/54/1337571754.db2.gz ZTJOOSUVTOHTEO-UHFFFAOYSA-N 1 2 343.427 2.415 20 30 EEEDLO CCCCCCCCNC(=O)[C@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001577430167 1344148750 /nfs/dbraw/zinc/14/87/50/1344148750.db2.gz RYKTYHSKNSEEFO-SFHVURJKSA-N 1 2 342.480 2.163 20 30 EEEDLO COc1ncc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1C#N ZINC001626397088 1352461580 /nfs/dbraw/zinc/46/15/80/1352461580.db2.gz UEYNGIIZEXJVFH-UHFFFAOYSA-N 1 2 333.351 2.459 20 30 EEEDLO COc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001084233127 1367695403 /nfs/dbraw/zinc/69/54/03/1367695403.db2.gz UUGKEJZRHJAQAO-WOSRLPQWSA-N 1 2 331.391 2.027 20 30 EEEDLO COc1ccc(F)cc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001084233127 1367695415 /nfs/dbraw/zinc/69/54/15/1367695415.db2.gz UUGKEJZRHJAQAO-WOSRLPQWSA-N 1 2 331.391 2.027 20 30 EEEDLO C=CCCCC(=O)N1CCCO[C@H](C[NH2+][C@H](C)c2nnc(C)o2)C1 ZINC001201294161 1368802400 /nfs/dbraw/zinc/80/24/00/1368802400.db2.gz SEFKMYIUHJZNTD-UKRRQHHQSA-N 1 2 336.436 2.002 20 30 EEEDLO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]cc3ncnc1-3)C2 ZINC001110578651 1368913033 /nfs/dbraw/zinc/91/30/33/1368913033.db2.gz RFPVSHWHUACFDF-XPKDYRNWSA-N 1 2 325.416 2.259 20 30 EEEDLO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]cc3ncnc1-3)C2 ZINC001110578651 1368913039 /nfs/dbraw/zinc/91/30/39/1368913039.db2.gz RFPVSHWHUACFDF-XPKDYRNWSA-N 1 2 325.416 2.259 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001488309340 1368968353 /nfs/dbraw/zinc/96/83/53/1368968353.db2.gz GRJHVOAXIODWGC-GOEBONIOSA-N 1 2 344.459 2.100 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCCN1c1cccc(F)c1C#N ZINC001069376385 1370098815 /nfs/dbraw/zinc/09/88/15/1370098815.db2.gz WPNXXMZRWKUACP-CZUORRHYSA-N 1 2 341.390 2.068 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2nnc3ccccc3n2)CC[C@@H]1C ZINC001071685722 1370555117 /nfs/dbraw/zinc/55/51/17/1370555117.db2.gz HERCNIJHPCSSOC-STQMWFEESA-N 1 2 345.834 2.360 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2nnc3ccccc3n2)CC[C@@H]1C ZINC001071685722 1370555121 /nfs/dbraw/zinc/55/51/21/1370555121.db2.gz HERCNIJHPCSSOC-STQMWFEESA-N 1 2 345.834 2.360 20 30 EEEDLO CCC(CC)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001099695852 1371006548 /nfs/dbraw/zinc/00/65/48/1371006548.db2.gz OYKDNRXYYBDTEF-ZWKOTPCHSA-N 1 2 329.444 2.046 20 30 EEEDLO CCC(CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001099695852 1371006552 /nfs/dbraw/zinc/00/65/52/1371006552.db2.gz OYKDNRXYYBDTEF-ZWKOTPCHSA-N 1 2 329.444 2.046 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1nnnn1C1CC1)C2 ZINC001111650605 1371200228 /nfs/dbraw/zinc/20/02/28/1371200228.db2.gz YBHMTLYFAJZPOM-DEYYWGMASA-N 1 2 344.463 2.006 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1nnnn1C1CC1)C2 ZINC001111650605 1371200236 /nfs/dbraw/zinc/20/02/36/1371200236.db2.gz YBHMTLYFAJZPOM-DEYYWGMASA-N 1 2 344.463 2.006 20 30 EEEDLO C[C@H](CC(=O)NCC1(Nc2ncccc2C#N)CCC1)n1cc[nH+]c1 ZINC001111911730 1371302735 /nfs/dbraw/zinc/30/27/35/1371302735.db2.gz DEVHDPJBZGUNOE-CQSZACIVSA-N 1 2 338.415 2.252 20 30 EEEDLO C=CC[N@@H+](CCc1ccco1)CN1C[C@H](c2cncn2C)CC1=O ZINC000783994155 1371382597 /nfs/dbraw/zinc/38/25/97/1371382597.db2.gz RTPZULPQYKFCPV-OAHLLOKOSA-N 1 2 328.416 2.017 20 30 EEEDLO C=CC[N@H+](CCc1ccco1)CN1C[C@H](c2cncn2C)CC1=O ZINC000783994155 1371382602 /nfs/dbraw/zinc/38/26/02/1371382602.db2.gz RTPZULPQYKFCPV-OAHLLOKOSA-N 1 2 328.416 2.017 20 30 EEEDLO COCC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)CCCC1 ZINC001389457109 1388133698 /nfs/dbraw/zinc/13/36/98/1388133698.db2.gz PVXAOLRQJFOALL-GOSISDBHSA-N 1 2 341.455 2.456 20 30 EEEDLO COCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CCCC1 ZINC001389457109 1388133703 /nfs/dbraw/zinc/13/37/03/1388133703.db2.gz PVXAOLRQJFOALL-GOSISDBHSA-N 1 2 341.455 2.456 20 30 EEEDLO C=C[C@H](COC)NC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001116619020 1371730818 /nfs/dbraw/zinc/73/08/18/1371730818.db2.gz HIJTVNJKLWJZPP-DOTOQJQBSA-N 1 2 347.459 2.284 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC=C ZINC001121684495 1371913883 /nfs/dbraw/zinc/91/38/83/1371913883.db2.gz LINYMSGIFAGEMA-HNNXBMFYSA-N 1 2 326.448 2.015 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(CC[C@H](C)CCC)n2CCOC)CC1 ZINC001122228033 1371953620 /nfs/dbraw/zinc/95/36/20/1371953620.db2.gz PUDNKTLADOXXNN-QGZVFWFLSA-N 1 2 347.507 2.049 20 30 EEEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCO[C@H](C(C)C)C1 ZINC001122400191 1371973827 /nfs/dbraw/zinc/97/38/27/1371973827.db2.gz NTHDOWPEIJEXBW-HNNXBMFYSA-N 1 2 344.463 2.040 20 30 EEEDLO C=CCOCC(=O)N1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC001123212973 1372108819 /nfs/dbraw/zinc/10/88/19/1372108819.db2.gz ITZUTCXXPDFGMA-ZFWWWQNUSA-N 1 2 330.432 2.266 20 30 EEEDLO COC(=O)N1CCC[N@H+](Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141106899 1372757756 /nfs/dbraw/zinc/75/77/56/1372757756.db2.gz KOUDGEJJOLUCEQ-UHFFFAOYSA-N 1 2 328.825 2.129 20 30 EEEDLO COC(=O)N1CCC[N@@H+](Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141106899 1372757761 /nfs/dbraw/zinc/75/77/61/1372757761.db2.gz KOUDGEJJOLUCEQ-UHFFFAOYSA-N 1 2 328.825 2.129 20 30 EEEDLO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3cocn3)CC2)cc1 ZINC001141133077 1372762010 /nfs/dbraw/zinc/76/20/10/1372762010.db2.gz YBADFCLXXFPVCO-UHFFFAOYSA-N 1 2 325.372 2.332 20 30 EEEDLO C[N@H+](CCNC(=O)C1(C)CCOCC1)Cc1ccc(C#N)cc1F ZINC001366582692 1373960374 /nfs/dbraw/zinc/96/03/74/1373960374.db2.gz XOSWTXAWNQIJNJ-UHFFFAOYSA-N 1 2 333.407 2.062 20 30 EEEDLO C[N@@H+](CCNC(=O)C1(C)CCOCC1)Cc1ccc(C#N)cc1F ZINC001366582692 1373960380 /nfs/dbraw/zinc/96/03/80/1373960380.db2.gz XOSWTXAWNQIJNJ-UHFFFAOYSA-N 1 2 333.407 2.062 20 30 EEEDLO Cc1cccc(OCC(=O)NCC[N@@H+](C)Cc2ccccc2C#N)c1 ZINC001372218795 1375864172 /nfs/dbraw/zinc/86/41/72/1375864172.db2.gz KWLMBMFVMKJBCN-UHFFFAOYSA-N 1 2 337.423 2.494 20 30 EEEDLO Cc1cccc(OCC(=O)NCC[N@H+](C)Cc2ccccc2C#N)c1 ZINC001372218795 1375864184 /nfs/dbraw/zinc/86/41/84/1375864184.db2.gz KWLMBMFVMKJBCN-UHFFFAOYSA-N 1 2 337.423 2.494 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(C)nc2cc(C)nn21)C1CC1 ZINC001372901066 1376280564 /nfs/dbraw/zinc/28/05/64/1376280564.db2.gz ARZBQKSLNSYLSH-UHFFFAOYSA-N 1 2 347.850 2.293 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(C)nc2cc(C)nn21)C1CC1 ZINC001372901066 1376280568 /nfs/dbraw/zinc/28/05/68/1376280568.db2.gz ARZBQKSLNSYLSH-UHFFFAOYSA-N 1 2 347.850 2.293 20 30 EEEDLO CC(C)[C@@H](O)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001390122624 1388446877 /nfs/dbraw/zinc/44/68/77/1388446877.db2.gz IAGVOTHGUIHHPJ-FUHWJXTLSA-N 1 2 347.434 2.185 20 30 EEEDLO CC(C)[C@@H](O)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001390122624 1388446881 /nfs/dbraw/zinc/44/68/81/1388446881.db2.gz IAGVOTHGUIHHPJ-FUHWJXTLSA-N 1 2 347.434 2.185 20 30 EEEDLO COCC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001373374034 1376508776 /nfs/dbraw/zinc/50/87/76/1376508776.db2.gz HYZWPWAPNMGROG-MRXNPFEDSA-N 1 2 345.418 2.205 20 30 EEEDLO COCC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001373374034 1376508781 /nfs/dbraw/zinc/50/87/81/1376508781.db2.gz HYZWPWAPNMGROG-MRXNPFEDSA-N 1 2 345.418 2.205 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cn(CCC)nn2)C1 ZINC001377664381 1379416374 /nfs/dbraw/zinc/41/63/74/1379416374.db2.gz RGEZGSXJOGOOTP-CQSZACIVSA-N 1 2 339.871 2.367 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cn(CCC)nn2)C1 ZINC001377664381 1379416377 /nfs/dbraw/zinc/41/63/77/1379416377.db2.gz RGEZGSXJOGOOTP-CQSZACIVSA-N 1 2 339.871 2.367 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc(C(=O)N(C)C)cc1 ZINC001379117084 1380537727 /nfs/dbraw/zinc/53/77/27/1380537727.db2.gz JKBUDCPFWIYYKL-UHFFFAOYSA-N 1 2 337.851 2.145 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc(C(=O)N(C)C)cc1 ZINC001379117084 1380537729 /nfs/dbraw/zinc/53/77/29/1380537729.db2.gz JKBUDCPFWIYYKL-UHFFFAOYSA-N 1 2 337.851 2.145 20 30 EEEDLO C[C@H](C#N)C(=O)NCc1ccc(C[NH2+][C@H](C)c2ncccn2)cc1F ZINC001382597953 1382142658 /nfs/dbraw/zinc/14/26/58/1382142658.db2.gz KMXYYPVJHGNTFX-CHWSQXEVSA-N 1 2 341.390 2.242 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+](CCNC(=O)[C@@H]2CCCCO2)C2CC2)c1 ZINC001391160695 1389085938 /nfs/dbraw/zinc/08/59/38/1389085938.db2.gz VNHNPTWXEIAZRD-SFHVURJKSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+](CCNC(=O)[C@@H]2CCCCO2)C2CC2)c1 ZINC001391160695 1389085945 /nfs/dbraw/zinc/08/59/45/1389085945.db2.gz VNHNPTWXEIAZRD-SFHVURJKSA-N 1 2 345.418 2.347 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1NC(=O)C#CC1CC1 ZINC001755408691 1407419998 /nfs/dbraw/zinc/41/99/98/1407419998.db2.gz UCAKJDLNINXLNR-OAHLLOKOSA-N 1 2 331.847 2.475 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1NC(=O)C#CC1CC1 ZINC001755408691 1407420001 /nfs/dbraw/zinc/42/00/01/1407420001.db2.gz UCAKJDLNINXLNR-OAHLLOKOSA-N 1 2 331.847 2.475 20 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1397282867 /nfs/dbraw/zinc/28/28/67/1397282867.db2.gz GJYDAJVVKJNRHU-ARFHVFGLSA-N 1 2 348.495 2.251 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C[NH2+]Cc2nc(CC)no2)C2CC2)CC1 ZINC001754450245 1406906786 /nfs/dbraw/zinc/90/67/86/1406906786.db2.gz JNJBGKVMJAHBTB-HNNXBMFYSA-N 1 2 332.448 2.363 20 30 EEEDLO C=C1CCC(C(=O)N(CCO)CC[NH2+]Cc2ncc(C(C)C)o2)CC1 ZINC001754892689 1406978679 /nfs/dbraw/zinc/97/86/79/1406978679.db2.gz VWZLREQNLACNMC-UHFFFAOYSA-N 1 2 349.475 2.455 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1nc(C(C)C)no1 ZINC001422536631 1399995372 /nfs/dbraw/zinc/99/53/72/1399995372.db2.gz FPRUETFEGFIBME-LBPRGKRZSA-N 1 2 328.844 2.315 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCc1nc(C(C)C)no1 ZINC001422536631 1399995378 /nfs/dbraw/zinc/99/53/78/1399995378.db2.gz FPRUETFEGFIBME-LBPRGKRZSA-N 1 2 328.844 2.315 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C(F)(F)F)CCCC1)CO2 ZINC001755068045 1407077658 /nfs/dbraw/zinc/07/76/58/1407077658.db2.gz QIOFBYZLCHQWSL-CYBMUJFWSA-N 1 2 344.377 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C=CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1cnnn1C)c1ccccc1 ZINC001755326946 1407324732 /nfs/dbraw/zinc/32/47/32/1407324732.db2.gz BLBLNKIZSFKMTA-MAUKXSAKSA-N 1 2 341.459 2.112 20 30 EEEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001755333839 1407332021 /nfs/dbraw/zinc/33/20/21/1407332021.db2.gz KWFFKXNLDFTJIG-ZIAGYGMSSA-N 1 2 348.409 2.484 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)C1C[NH+](CC(=O)N[C@H](C)C(C)C)C1 ZINC001755383234 1407389413 /nfs/dbraw/zinc/38/94/13/1407389413.db2.gz UWXASXMOOBKFRW-CABCVRRESA-N 1 2 337.508 2.186 20 30 EEEDLO CC(C)C#CC(=O)NCCC[N@@H+](C)Cc1nc(CCC(C)C)no1 ZINC001751972735 1406154607 /nfs/dbraw/zinc/15/46/07/1406154607.db2.gz WEKLIGZULHUAEP-UHFFFAOYSA-N 1 2 334.464 2.256 20 30 EEEDLO CC(C)C#CC(=O)NCCC[N@H+](C)Cc1nc(CCC(C)C)no1 ZINC001751972735 1406154614 /nfs/dbraw/zinc/15/46/14/1406154614.db2.gz WEKLIGZULHUAEP-UHFFFAOYSA-N 1 2 334.464 2.256 20 30 EEEDLO CC(C)C#CC(=O)N1C[C@H]([NH2+]Cc2noc(-c3ccoc3)n2)C[C@H]1C ZINC001755678093 1407724944 /nfs/dbraw/zinc/72/49/44/1407724944.db2.gz GIBJICCYESVTKR-UKRRQHHQSA-N 1 2 342.399 2.068 20 30 EEEDLO C/C=C(/C)C(=O)NCC[N@@H+](CCOC)Cc1ccc(C#N)cc1F ZINC001755838397 1407886257 /nfs/dbraw/zinc/88/62/57/1407886257.db2.gz QQAHFIDMLLZVFW-CPSFFCFKSA-N 1 2 333.407 2.228 20 30 EEEDLO C/C=C(/C)C(=O)NCC[N@H+](CCOC)Cc1ccc(C#N)cc1F ZINC001755838397 1407886261 /nfs/dbraw/zinc/88/62/61/1407886261.db2.gz QQAHFIDMLLZVFW-CPSFFCFKSA-N 1 2 333.407 2.228 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)CC(C)(C)CNC(=O)Cn1cc[nH+]c1 ZINC001755996956 1408067128 /nfs/dbraw/zinc/06/71/28/1408067128.db2.gz RCBFHTODHNEMQB-GOSISDBHSA-N 1 2 334.464 2.086 20 30 EEEDLO C=CCC1(C(=O)NC[C@@H](C)N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CCC1 ZINC001756066595 1408115896 /nfs/dbraw/zinc/11/58/96/1408115896.db2.gz OKHPRUGJUVCSEH-CQSZACIVSA-N 1 2 346.475 2.397 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)C1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001756145701 1408175105 /nfs/dbraw/zinc/17/51/05/1408175105.db2.gz GIJQIHCIFLBGDW-CABCVRRESA-N 1 2 332.448 2.154 20 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ZINC001757289028 1409626249 /nfs/dbraw/zinc/62/62/49/1409626249.db2.gz FVUTXRKGCICADD-QGZVFWFLSA-N 1 2 339.439 2.093 20 30 EEEDLO CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CCC#N)CC1CC1 ZINC001772200155 1410094094 /nfs/dbraw/zinc/09/40/94/1410094094.db2.gz OXJGRGUPLWLQMT-MRXNPFEDSA-N 1 2 346.479 2.210 20 30 EEEDLO CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(CCC#N)CC1CC1 ZINC001772200155 1410094101 /nfs/dbraw/zinc/09/41/01/1410094101.db2.gz OXJGRGUPLWLQMT-MRXNPFEDSA-N 1 2 346.479 2.210 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001124322358 1410326747 /nfs/dbraw/zinc/32/67/47/1410326747.db2.gz IRFOADBXNAQWTK-INIZCTEOSA-N 1 2 344.459 2.087 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCCN(CC)c1nc(C)[nH+]c2c1CCCC2 ZINC001100552014 1410669280 /nfs/dbraw/zinc/66/92/80/1410669280.db2.gz DZUDISXXIMMMMV-AWEZNQCLSA-N 1 2 346.475 2.197 20 30 EEEDLO C#CCN(C(=O)C(F)=C(C)C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110621287 1410828762 /nfs/dbraw/zinc/82/87/62/1410828762.db2.gz TVYJWVUBRPOGMP-UHFFFAOYSA-N 1 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C=C(C)CCC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nnc(CC)[nH]1)C2 ZINC001147639961 791895632 /nfs/dbraw/zinc/89/56/32/791895632.db2.gz JETDWHSNALAVSO-CQSZACIVSA-N 1 2 331.464 2.319 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cc(Cl)cn1 ZINC001032606563 792162785 /nfs/dbraw/zinc/16/27/85/792162785.db2.gz WJTKFNLZJZXZLC-ZOBUZTSGSA-N 1 2 336.867 2.424 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cc(Cl)cn1 ZINC001032606563 792162791 /nfs/dbraw/zinc/16/27/91/792162791.db2.gz WJTKFNLZJZXZLC-ZOBUZTSGSA-N 1 2 336.867 2.424 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NCC1(NC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001064069355 792271008 /nfs/dbraw/zinc/27/10/08/792271008.db2.gz LDCQTLBBQUDULG-HOTGVXAUSA-N 1 2 346.475 2.277 20 30 EEEDLO C=CC[N@@H+]1CC[C@]2(NC(=O)c3cccc(-c4nnc[nH]4)c3)CCC[C@H]12 ZINC000992107213 792734807 /nfs/dbraw/zinc/73/48/07/792734807.db2.gz JUBVMLDBFWMJIV-QFBILLFUSA-N 1 2 337.427 2.385 20 30 EEEDLO C=CC[N@H+]1CC[C@]2(NC(=O)c3cccc(-c4nnc[nH]4)c3)CCC[C@H]12 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C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc3[nH]ccc31)c1nccn12 ZINC001092400159 793901143 /nfs/dbraw/zinc/90/11/43/793901143.db2.gz YIDKQHROOKNFDV-QGZVFWFLSA-N 1 2 347.422 2.436 20 30 EEEDLO C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC000999206707 794016127 /nfs/dbraw/zinc/01/61/27/794016127.db2.gz GTTQGWPQHIDIEY-RKDXNWHRSA-N 1 2 347.150 2.376 20 30 EEEDLO C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000999206707 794016136 /nfs/dbraw/zinc/01/61/36/794016136.db2.gz GTTQGWPQHIDIEY-RKDXNWHRSA-N 1 2 347.150 2.376 20 30 EEEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H](CC)CCC)CC2 ZINC001128060277 794121624 /nfs/dbraw/zinc/12/16/24/794121624.db2.gz XCNAOYXMFWGOJB-CVEARBPZSA-N 1 2 345.491 2.038 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC000999252194 794123775 /nfs/dbraw/zinc/12/37/75/794123775.db2.gz UBVGWJDYYMQVPG-GFCCVEGCSA-N 1 2 326.828 2.237 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C2 ZINC001110134264 794147293 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ZINC001106397190 795503680 /nfs/dbraw/zinc/50/36/80/795503680.db2.gz LHOYONSFZPANAJ-CQSZACIVSA-N 1 2 332.448 2.465 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCc2ccsc2)C1 ZINC001108012040 795519117 /nfs/dbraw/zinc/51/91/17/795519117.db2.gz NJSTWWPYEUDCGJ-SFHVURJKSA-N 1 2 334.485 2.301 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCc2ccsc2)C1 ZINC001108012040 795519120 /nfs/dbraw/zinc/51/91/20/795519120.db2.gz NJSTWWPYEUDCGJ-SFHVURJKSA-N 1 2 334.485 2.301 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@H](C)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106443480 795598649 /nfs/dbraw/zinc/59/86/49/795598649.db2.gz YHUTWXDHRGEJOD-UKRRQHHQSA-N 1 2 332.448 2.253 20 30 EEEDLO Cc1nsc(NCCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)c1C#N ZINC001093936053 795829477 /nfs/dbraw/zinc/82/94/77/795829477.db2.gz YJFZGSTWZNWEBS-AWEZNQCLSA-N 1 2 346.460 2.335 20 30 EEEDLO Cc1nc(NCC[C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)ccc1C#N ZINC001106593326 795906932 /nfs/dbraw/zinc/90/69/32/795906932.db2.gz OMDYHAXAQDUCMV-KGLIPLIRSA-N 1 2 340.431 2.416 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(CC)C1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001080465911 796037912 /nfs/dbraw/zinc/03/79/12/796037912.db2.gz OPPHCAKBAMBQJB-IBGZPJMESA-N 1 2 346.475 2.014 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cc(Cl)ccc3F)nn2)C1 ZINC001094303363 796072965 /nfs/dbraw/zinc/07/29/65/796072965.db2.gz GZPKKMPABPAUBB-UHFFFAOYSA-N 1 2 349.797 2.043 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001078221972 796101000 /nfs/dbraw/zinc/10/10/00/796101000.db2.gz MHZPVWFCXKSLEY-IFXJQAMLSA-N 1 2 347.459 2.246 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C)c(C)o1 ZINC000993235452 796153272 /nfs/dbraw/zinc/15/32/72/796153272.db2.gz OIZVQNFKOFYYSA-XHDPSFHLSA-N 1 2 341.415 2.274 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C)c(C)o1 ZINC000993235452 796153274 /nfs/dbraw/zinc/15/32/74/796153274.db2.gz OIZVQNFKOFYYSA-XHDPSFHLSA-N 1 2 341.415 2.274 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001078308244 796253715 /nfs/dbraw/zinc/25/37/15/796253715.db2.gz ZMWAPSGUNBGUIX-UONOGXRCSA-N 1 2 346.475 2.443 20 30 EEEDLO C[C@@H](C[C@H](C)Nc1ccc(C#N)cn1)NC(=O)CCCn1cc[nH+]c1 ZINC001089346757 796371971 /nfs/dbraw/zinc/37/19/71/796371971.db2.gz RKOKCWLIGXGWMX-GJZGRUSLSA-N 1 2 340.431 2.325 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccnn2CC(F)F)[C@H]1C ZINC000993327986 796390486 /nfs/dbraw/zinc/39/04/86/796390486.db2.gz MFZOSCFOBZUNQN-VXGBXAGGSA-N 1 2 346.809 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccnn2CC(F)F)[C@H]1C ZINC000993327986 796390489 /nfs/dbraw/zinc/39/04/89/796390489.db2.gz MFZOSCFOBZUNQN-VXGBXAGGSA-N 1 2 346.809 2.483 20 30 EEEDLO CCCCCCCCCNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000785496326 806502476 /nfs/dbraw/zinc/50/24/76/806502476.db2.gz JIDOWYITSWBSFF-HNNXBMFYSA-N 1 2 334.464 2.181 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3C[C@H]3CC(C)(C)C)CC2=O)C1 ZINC001094738883 796555270 /nfs/dbraw/zinc/55/52/70/796555270.db2.gz PIEGWCDJYSMHIL-ZMSDIMECSA-N 1 2 347.503 2.036 20 30 EEEDLO CCN(CCNc1ncc(C#N)cc1F)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001106802378 796637756 /nfs/dbraw/zinc/63/77/56/796637756.db2.gz CXIVBUCEWOKHJL-UHFFFAOYSA-N 1 2 344.394 2.054 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C1CCCC1 ZINC001081254543 796688320 /nfs/dbraw/zinc/68/83/20/796688320.db2.gz AULBKCLJGLCWPC-QZTJIDSGSA-N 1 2 345.418 2.203 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C1CCCC1 ZINC001081254543 796688323 /nfs/dbraw/zinc/68/83/23/796688323.db2.gz AULBKCLJGLCWPC-QZTJIDSGSA-N 1 2 345.418 2.203 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3nnc(C)n3c2)[C@@H]1C ZINC000993523417 796779546 /nfs/dbraw/zinc/77/95/46/796779546.db2.gz RGWJEWCYRXNJPI-WFASDCNBSA-N 1 2 347.850 2.373 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3nnc(C)n3c2)[C@@H]1C ZINC000993523417 796779549 /nfs/dbraw/zinc/77/95/49/796779549.db2.gz RGWJEWCYRXNJPI-WFASDCNBSA-N 1 2 347.850 2.373 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cnco2)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000993644823 796868136 /nfs/dbraw/zinc/86/81/36/796868136.db2.gz OYNZUUVIDRUWTF-LRDDRELGSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cnco2)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000993644823 796868140 /nfs/dbraw/zinc/86/81/40/796868140.db2.gz OYNZUUVIDRUWTF-LRDDRELGSA-N 1 2 342.374 2.468 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccn(C)n3)[C@@H]2C)cc1 ZINC000993672220 796899036 /nfs/dbraw/zinc/89/90/36/796899036.db2.gz PPFNKALXBLPPOF-DNVCBOLYSA-N 1 2 336.439 2.184 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccn(C)n3)[C@@H]2C)cc1 ZINC000993672220 796899041 /nfs/dbraw/zinc/89/90/41/796899041.db2.gz PPFNKALXBLPPOF-DNVCBOLYSA-N 1 2 336.439 2.184 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2n[nH]cc2F)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993742551 796968530 /nfs/dbraw/zinc/96/85/30/796968530.db2.gz NMDKXLKPPFUSJR-IINYFYTJSA-N 1 2 347.419 2.265 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2n[nH]cc2F)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993742551 796968534 /nfs/dbraw/zinc/96/85/34/796968534.db2.gz NMDKXLKPPFUSJR-IINYFYTJSA-N 1 2 347.419 2.265 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3cnnn3C)[C@H]2C)CC1 ZINC000993748349 796976871 /nfs/dbraw/zinc/97/68/71/796976871.db2.gz YPWKRUIKXRQYPT-YOEHRIQHSA-N 1 2 331.464 2.031 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3cnnn3C)[C@H]2C)CC1 ZINC000993748349 796976874 /nfs/dbraw/zinc/97/68/74/796976874.db2.gz YPWKRUIKXRQYPT-YOEHRIQHSA-N 1 2 331.464 2.031 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ccnc(OC)c2)[C@@H]1C ZINC000993827174 797057717 /nfs/dbraw/zinc/05/77/17/797057717.db2.gz RWBGEUXUZVPVSY-ZFWWWQNUSA-N 1 2 337.851 2.354 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccnc(OC)c2)[C@@H]1C ZINC000993827174 797057723 /nfs/dbraw/zinc/05/77/23/797057723.db2.gz RWBGEUXUZVPVSY-ZFWWWQNUSA-N 1 2 337.851 2.354 20 30 EEEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCN(C(=O)OC)CC1 ZINC001172732089 797073308 /nfs/dbraw/zinc/07/33/08/797073308.db2.gz ILNQGKQYMKKKON-KRWDZBQOSA-N 1 2 346.427 2.147 20 30 EEEDLO C=C(C)CCC(=O)N1CCCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001082110559 797213815 /nfs/dbraw/zinc/21/38/15/797213815.db2.gz XRLPAJQOZQLCFN-KRWDZBQOSA-N 1 2 346.475 2.206 20 30 EEEDLO N#Cc1ccc(NCCCCCCNC(=O)CCc2c[nH]c[nH+]2)nc1 ZINC001095006929 797224031 /nfs/dbraw/zinc/22/40/31/797224031.db2.gz WPEPMRLSDBETKA-UHFFFAOYSA-N 1 2 340.431 2.398 20 30 EEEDLO N#Cc1ccc(NCCCCCCNC(=O)CCc2c[nH+]c[nH]2)nc1 ZINC001095006929 797224035 /nfs/dbraw/zinc/22/40/35/797224035.db2.gz WPEPMRLSDBETKA-UHFFFAOYSA-N 1 2 340.431 2.398 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001095044202 797271400 /nfs/dbraw/zinc/27/14/00/797271400.db2.gz OBOGEULPLJBVAY-UKRRQHHQSA-N 1 2 344.459 2.268 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001095097854 797342021 /nfs/dbraw/zinc/34/20/21/797342021.db2.gz ROGLIUWHFGJJCN-NVXWUHKLSA-N 1 2 346.475 2.420 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCO2)C3)c1 ZINC001095148430 797429038 /nfs/dbraw/zinc/42/90/38/797429038.db2.gz BXBFXFMLWQEWHZ-UBDQQSCGSA-N 1 2 343.402 2.098 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCO2)C3)c1 ZINC001095148430 797429042 /nfs/dbraw/zinc/42/90/42/797429042.db2.gz BXBFXFMLWQEWHZ-UBDQQSCGSA-N 1 2 343.402 2.098 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccsc2C(F)F)[C@H](OC)C1 ZINC001082348825 797457515 /nfs/dbraw/zinc/45/75/15/797457515.db2.gz TVNBRANTNXIQSB-VXGBXAGGSA-N 1 2 328.384 2.138 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccsc2C(F)F)[C@H](OC)C1 ZINC001082348825 797457516 /nfs/dbraw/zinc/45/75/16/797457516.db2.gz TVNBRANTNXIQSB-VXGBXAGGSA-N 1 2 328.384 2.138 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)ccc2Cl)[C@H](OC)C1 ZINC001082341949 797465007 /nfs/dbraw/zinc/46/50/07/797465007.db2.gz MYRZCKDAOBPYPH-ZIAGYGMSSA-N 1 2 327.211 2.056 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)ccc2Cl)[C@H](OC)C1 ZINC001082341949 797465009 /nfs/dbraw/zinc/46/50/09/797465009.db2.gz MYRZCKDAOBPYPH-ZIAGYGMSSA-N 1 2 327.211 2.056 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095185697 797496277 /nfs/dbraw/zinc/49/62/77/797496277.db2.gz HYJRBCAOWGGHQP-HNNXBMFYSA-N 1 2 332.448 2.032 20 30 EEEDLO C/C=C(/C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001083044106 797838605 /nfs/dbraw/zinc/83/86/05/797838605.db2.gz XPYAXNPCHJOATM-ZAYZHACPSA-N 1 2 343.402 2.075 20 30 EEEDLO C/C=C(/C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001083044106 797838611 /nfs/dbraw/zinc/83/86/11/797838611.db2.gz XPYAXNPCHJOATM-ZAYZHACPSA-N 1 2 343.402 2.075 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)C=C4CCC4)[C@H]3C2)s1 ZINC001083046525 797840218 /nfs/dbraw/zinc/84/02/18/797840218.db2.gz DKJKLVTZUFLCPJ-DLBZAZTESA-N 1 2 343.452 2.142 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C=C4CCC4)[C@H]3C2)s1 ZINC001083046525 797840223 /nfs/dbraw/zinc/84/02/23/797840223.db2.gz DKJKLVTZUFLCPJ-DLBZAZTESA-N 1 2 343.452 2.142 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(-c4ccccc4)no3)[C@H]2C1 ZINC001083129499 797881333 /nfs/dbraw/zinc/88/13/33/797881333.db2.gz NXHIHATWNIJBPW-FUHWJXTLSA-N 1 2 339.395 2.053 20 30 EEEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(-c4ccccc4)no3)[C@H]2C1 ZINC001083129499 797881340 /nfs/dbraw/zinc/88/13/40/797881340.db2.gz NXHIHATWNIJBPW-FUHWJXTLSA-N 1 2 339.395 2.053 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3CC(C)(C)CC(C)(C)C3)[C@H]2C1 ZINC001083154927 797902185 /nfs/dbraw/zinc/90/21/85/797902185.db2.gz VKBVLZOQNOEQKE-DLBZAZTESA-N 1 2 332.488 2.384 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC(C)(C)CC(C)(C)C3)[C@H]2C1 ZINC001083154927 797902188 /nfs/dbraw/zinc/90/21/88/797902188.db2.gz VKBVLZOQNOEQKE-DLBZAZTESA-N 1 2 332.488 2.384 20 30 EEEDLO Cc1cccc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)c1C ZINC001084016496 797957656 /nfs/dbraw/zinc/95/76/56/797957656.db2.gz RDAFBGMXRUQSJZ-RTWAWAEBSA-N 1 2 348.446 2.130 20 30 EEEDLO Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)c1C ZINC001084016496 797957659 /nfs/dbraw/zinc/95/76/59/797957659.db2.gz RDAFBGMXRUQSJZ-RTWAWAEBSA-N 1 2 348.446 2.130 20 30 EEEDLO C[N@@H+]1CCCn2nc(C(=O)Nc3ccc(C(C)(C)C#N)nc3)cc2C1 ZINC001175047364 797976960 /nfs/dbraw/zinc/97/69/60/797976960.db2.gz LHMORYQSAGBMNT-UHFFFAOYSA-N 1 2 338.415 2.167 20 30 EEEDLO C[N@H+]1CCCn2nc(C(=O)Nc3ccc(C(C)(C)C#N)nc3)cc2C1 ZINC001175047364 797976966 /nfs/dbraw/zinc/97/69/66/797976966.db2.gz LHMORYQSAGBMNT-UHFFFAOYSA-N 1 2 338.415 2.167 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CC1 ZINC001083754533 798102208 /nfs/dbraw/zinc/10/22/08/798102208.db2.gz VYUJTQGSRLJJCW-SJORKVTESA-N 1 2 345.468 2.027 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CC1 ZINC001083754533 798102213 /nfs/dbraw/zinc/10/22/13/798102213.db2.gz VYUJTQGSRLJJCW-SJORKVTESA-N 1 2 345.468 2.027 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cccc(OCC)n3)[C@@H]2C1 ZINC001084534713 798260989 /nfs/dbraw/zinc/26/09/89/798260989.db2.gz QXOXIQFHXAMYTM-GDBMZVCRSA-N 1 2 349.862 2.308 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cccc(OCC)n3)[C@@H]2C1 ZINC001084534713 798260995 /nfs/dbraw/zinc/26/09/95/798260995.db2.gz QXOXIQFHXAMYTM-GDBMZVCRSA-N 1 2 349.862 2.308 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC3CCCC3)C[C@H]21 ZINC001176887557 798614559 /nfs/dbraw/zinc/61/45/59/798614559.db2.gz MGNXKIBUJSWPKK-MSOLQXFVSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)CC3CCCC3)C[C@H]21 ZINC001176887557 798614563 /nfs/dbraw/zinc/61/45/63/798614563.db2.gz MGNXKIBUJSWPKK-MSOLQXFVSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)COCC3CCCC3)C[C@@H]21 ZINC001177034949 798680751 /nfs/dbraw/zinc/68/07/51/798680751.db2.gz GQSMLAGBEYJSJE-ZWKOTPCHSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)COCC3CCCC3)C[C@@H]21 ZINC001177034949 798680756 /nfs/dbraw/zinc/68/07/56/798680756.db2.gz GQSMLAGBEYJSJE-ZWKOTPCHSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC3(C)CC3)C[C@H]21 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341.455 2.188 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC001065683019 799339643 /nfs/dbraw/zinc/33/96/43/799339643.db2.gz RJZVGFNIXRAWSA-GOSISDBHSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H](C)CC)CC2)C1 ZINC001065704147 799350817 /nfs/dbraw/zinc/35/08/17/799350817.db2.gz JANJOCXQBQNBMD-DLBZAZTESA-N 1 2 349.519 2.380 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CCCC)CC2)C1 ZINC001065704381 799351114 /nfs/dbraw/zinc/35/11/14/799351114.db2.gz MDXLIKYBVAGPNO-KRWDZBQOSA-N 1 2 335.492 2.278 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C(C)C)CC2)C1 ZINC001065705159 799353121 /nfs/dbraw/zinc/35/31/21/799353121.db2.gz VRYQTFBEQRFZQO-GOSISDBHSA-N 1 2 347.503 2.156 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC(C)(C)C=C)CC2)C1 ZINC001065694739 799374204 /nfs/dbraw/zinc/37/42/04/799374204.db2.gz OPQSUBQGFHBCQH-KRWDZBQOSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)/C(C)=C\C)C2)CC1 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332.407 2.084 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@@H]1CC1(F)F ZINC001085585099 800824177 /nfs/dbraw/zinc/82/41/77/800824177.db2.gz SRRFBGYTAIRLAU-KGLIPLIRSA-N 1 2 337.345 2.385 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@@H]1CC1(F)F ZINC001085585099 800824187 /nfs/dbraw/zinc/82/41/87/800824187.db2.gz SRRFBGYTAIRLAU-KGLIPLIRSA-N 1 2 337.345 2.385 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)c1cc[nH]c1 ZINC001085612780 800887978 /nfs/dbraw/zinc/88/79/78/800887978.db2.gz ZUEIHTZXULVZKO-INIZCTEOSA-N 1 2 326.375 2.372 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)c1cc[nH]c1 ZINC001085612780 800887985 /nfs/dbraw/zinc/88/79/85/800887985.db2.gz ZUEIHTZXULVZKO-INIZCTEOSA-N 1 2 326.375 2.372 20 30 EEEDLO C#CCC1(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nc(CC)no3)C2)CCC1 ZINC001183200344 801522908 /nfs/dbraw/zinc/52/29/08/801522908.db2.gz OOWUQKFYNZEBKW-ZIAGYGMSSA-N 1 2 330.432 2.077 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2oc(C)nc2C)cn1 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CCc1nnc(C)cc1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004473094 802163575 /nfs/dbraw/zinc/16/35/75/802163575.db2.gz KYRFXQBHIGAPAM-GOSISDBHSA-N 1 2 341.459 2.188 20 30 EEEDLO CC1(C)CO[C@@H](CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004488278 802193796 /nfs/dbraw/zinc/19/37/96/802193796.db2.gz HKEMYRDQJJKDCQ-IRXDYDNUSA-N 1 2 333.476 2.418 20 30 EEEDLO CC1(C)CO[C@@H](CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004488278 802193803 /nfs/dbraw/zinc/19/38/03/802193803.db2.gz HKEMYRDQJJKDCQ-IRXDYDNUSA-N 1 2 333.476 2.418 20 30 EEEDLO CC#CCCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001185020621 802291102 /nfs/dbraw/zinc/29/11/02/802291102.db2.gz YMKMFMNIKXQZTK-CQSZACIVSA-N 1 2 332.448 2.251 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001066427568 802373136 /nfs/dbraw/zinc/37/31/36/802373136.db2.gz CKSKEZYQEHRMCY-IRXDYDNUSA-N 1 2 346.475 2.373 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnc(C3CC3)nc2)CC1 ZINC001004581167 802415391 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CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000052868438 214151478 /nfs/dbraw/zinc/15/14/78/214151478.db2.gz RRYWGTCFCJQYGO-XJKSGUPXSA-N 1 2 344.415 2.096 20 30 EEEDLO CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000052868438 214151480 /nfs/dbraw/zinc/15/14/80/214151480.db2.gz RRYWGTCFCJQYGO-XJKSGUPXSA-N 1 2 344.415 2.096 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054390285 214235883 /nfs/dbraw/zinc/23/58/83/214235883.db2.gz HTKZAIQXDDLAKN-UHFFFAOYSA-N 1 2 327.428 2.204 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054390285 214235886 /nfs/dbraw/zinc/23/58/86/214235886.db2.gz HTKZAIQXDDLAKN-UHFFFAOYSA-N 1 2 327.428 2.204 20 30 EEEDLO C=CC[N@@H+](Cc1cccc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066559410 215054527 /nfs/dbraw/zinc/05/45/27/215054527.db2.gz UXMFLRSDVVTSHF-ZDUSSCGKSA-N 1 2 331.384 2.463 20 30 EEEDLO C=CC[N@H+](Cc1cccc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066559410 215054530 /nfs/dbraw/zinc/05/45/30/215054530.db2.gz UXMFLRSDVVTSHF-ZDUSSCGKSA-N 1 2 331.384 2.463 20 30 EEEDLO C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)c1ccccn1 ZINC000330321048 539791800 /nfs/dbraw/zinc/79/18/00/539791800.db2.gz FRFPPGNAWZRCIT-WOSRLPQWSA-N 1 2 329.404 2.300 20 30 EEEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCOc4cc(O)ccc4C3)C2=O)cc1 ZINC000375756015 283164681 /nfs/dbraw/zinc/16/46/81/283164681.db2.gz UYOQRPOPVFFAKN-GOSISDBHSA-N 1 2 349.390 2.264 20 30 EEEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCOc4cc(O)ccc4C3)C2=O)cc1 ZINC000375756015 283164682 /nfs/dbraw/zinc/16/46/82/283164682.db2.gz UYOQRPOPVFFAKN-GOSISDBHSA-N 1 2 349.390 2.264 20 30 EEEDLO C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000073069567 216347004 /nfs/dbraw/zinc/34/70/04/216347004.db2.gz NWQQKFSKDGDVIM-UHFFFAOYSA-N 1 2 331.397 2.107 20 30 EEEDLO COC(=O)c1cccnc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000459523232 245155197 /nfs/dbraw/zinc/15/51/97/245155197.db2.gz ICXBYKYYWAVEAN-UHFFFAOYSA-N 1 2 339.395 2.388 20 30 EEEDLO COC(=O)c1cccnc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000459523232 245155200 /nfs/dbraw/zinc/15/52/00/245155200.db2.gz ICXBYKYYWAVEAN-UHFFFAOYSA-N 1 2 339.395 2.388 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)CCOc2cccc(F)c2)n1 ZINC000491656147 246097636 /nfs/dbraw/zinc/09/76/36/246097636.db2.gz AWNYQPUDCOJYND-UHFFFAOYSA-N 1 2 331.391 2.183 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)CCOc2cccc(F)c2)n1 ZINC000491656147 246097641 /nfs/dbraw/zinc/09/76/41/246097641.db2.gz AWNYQPUDCOJYND-UHFFFAOYSA-N 1 2 331.391 2.183 20 30 EEEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O ZINC000491703288 246119297 /nfs/dbraw/zinc/11/92/97/246119297.db2.gz SJMPSAOMQFOHKR-YMTOWFKASA-N 1 2 325.821 2.080 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O ZINC000491703288 246119303 /nfs/dbraw/zinc/11/93/03/246119303.db2.gz SJMPSAOMQFOHKR-YMTOWFKASA-N 1 2 325.821 2.080 20 30 EEEDLO C#CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)C1CC1 ZINC000491697578 246115335 /nfs/dbraw/zinc/11/53/35/246115335.db2.gz ADVKWLIWHCRFEX-GOSISDBHSA-N 1 2 342.439 2.465 20 30 EEEDLO C#CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)C1CC1 ZINC000491697578 246115339 /nfs/dbraw/zinc/11/53/39/246115339.db2.gz ADVKWLIWHCRFEX-GOSISDBHSA-N 1 2 342.439 2.465 20 30 EEEDLO C#CCOc1cc(F)ccc1NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000266439006 248301393 /nfs/dbraw/zinc/30/13/93/248301393.db2.gz WZHVTQGVLXYZBQ-KGLIPLIRSA-N 1 2 349.406 2.068 20 30 EEEDLO C=CCc1cc(C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc(OC)c1O ZINC000093420547 218224508 /nfs/dbraw/zinc/22/45/08/218224508.db2.gz ZEPDSNVYQHOCJY-QWHCGFSZSA-N 1 2 341.473 2.383 20 30 EEEDLO C=CCc1cc(C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc(OC)c1O ZINC000093420547 218224510 /nfs/dbraw/zinc/22/45/10/218224510.db2.gz ZEPDSNVYQHOCJY-QWHCGFSZSA-N 1 2 341.473 2.383 20 30 EEEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(CCc3ccccc3)CC2)cc1 ZINC000268648703 252100572 /nfs/dbraw/zinc/10/05/72/252100572.db2.gz VFHQYPGFEIWHRQ-OAQYLSRUSA-N 1 2 335.451 2.452 20 30 EEEDLO COCC1(CO[NH+]=C(N)c2ccc(-n3nc(C)cc3C)nc2)CCC1 ZINC000291915714 533143199 /nfs/dbraw/zinc/14/31/99/533143199.db2.gz OBCMVTFDMYLYOS-UHFFFAOYSA-N 1 2 343.431 2.338 20 30 EEEDLO C#C[C@@H](C)N(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000491816372 533222744 /nfs/dbraw/zinc/22/27/44/533222744.db2.gz SEDBETFBEMCRNJ-CZUORRHYSA-N 1 2 326.400 2.181 20 30 EEEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)C(C)C ZINC000491669086 533245414 /nfs/dbraw/zinc/24/54/14/533245414.db2.gz OZRVOIMNCXZMLX-CQSZACIVSA-N 1 2 338.411 2.163 20 30 EEEDLO CS(=O)(=O)CC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000292227838 533336330 /nfs/dbraw/zinc/33/63/30/533336330.db2.gz VOAUGHBLBZUWQG-UHFFFAOYSA-N 1 2 325.861 2.448 20 30 EEEDLO COC(=O)[C@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1C ZINC000191870635 533436961 /nfs/dbraw/zinc/43/69/61/533436961.db2.gz LKEUWQXHEKUMAS-DOMZBBRYSA-N 1 2 340.383 2.239 20 30 EEEDLO COC(=O)[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1C ZINC000191870635 533436963 /nfs/dbraw/zinc/43/69/63/533436963.db2.gz LKEUWQXHEKUMAS-DOMZBBRYSA-N 1 2 340.383 2.239 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000424651990 533483421 /nfs/dbraw/zinc/48/34/21/533483421.db2.gz VUSCGGACCHUAPZ-UHFFFAOYSA-N 1 2 344.459 2.002 20 30 EEEDLO COc1cc(C#N)ccc1C[NH2+][C@H](CS(C)(=O)=O)c1ccccc1 ZINC000181786050 533496244 /nfs/dbraw/zinc/49/62/44/533496244.db2.gz DZTARPPHZRYSHD-QGZVFWFLSA-N 1 2 344.436 2.442 20 30 EEEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000129861137 533496527 /nfs/dbraw/zinc/49/65/27/533496527.db2.gz PXUBUFIXGKZNSR-UHFFFAOYSA-N 1 2 337.427 2.296 20 30 EEEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120483502 142391353 /nfs/dbraw/zinc/39/13/53/142391353.db2.gz DCRVFOLSRHPVGO-KSSFIOAISA-N 1 2 337.379 2.400 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000377293744 154127359 /nfs/dbraw/zinc/12/73/59/154127359.db2.gz MGDROGLFPPNDCA-UHFFFAOYSA-N 1 2 344.440 2.220 20 30 EEEDLO COCCc1noc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000104716283 159289604 /nfs/dbraw/zinc/28/96/04/159289604.db2.gz AZDGNNXAEXSSTL-UHFFFAOYSA-N 1 2 342.399 2.174 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000246484230 160281637 /nfs/dbraw/zinc/28/16/37/160281637.db2.gz OXFCXCSMNZRXNA-HZPDHXFCSA-N 1 2 340.383 2.343 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000246484230 160281639 /nfs/dbraw/zinc/28/16/39/160281639.db2.gz OXFCXCSMNZRXNA-HZPDHXFCSA-N 1 2 340.383 2.343 20 30 EEEDLO N#Cc1ccc(OCC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000247652414 160330508 /nfs/dbraw/zinc/33/05/08/160330508.db2.gz NUJNQSIOBAICFJ-UHFFFAOYSA-N 1 2 336.395 2.249 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)COCc3ccco3)CCO2)c1 ZINC000341800408 161014310 /nfs/dbraw/zinc/01/43/10/161014310.db2.gz SDHGZGIQWAUXDN-MJGOQNOKSA-N 1 2 342.395 2.102 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)COCc3ccco3)CCO2)c1 ZINC000341800408 161014311 /nfs/dbraw/zinc/01/43/11/161014311.db2.gz SDHGZGIQWAUXDN-MJGOQNOKSA-N 1 2 342.395 2.102 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCCOc1ccc(C#N)cc1)C1CC1 ZINC000345081049 161269831 /nfs/dbraw/zinc/26/98/31/161269831.db2.gz OHUMIBKSLMXGQX-MRXNPFEDSA-N 1 2 339.399 2.121 20 30 EEEDLO N#Cc1ccc(C(=O)CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000356167167 163355085 /nfs/dbraw/zinc/35/50/85/163355085.db2.gz PDXBAYCYSOXNBQ-UHFFFAOYSA-N 1 2 344.374 2.416 20 30 EEEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)C(N)=O)cc1 ZINC000360062469 164225694 /nfs/dbraw/zinc/22/56/94/164225694.db2.gz XAOABEWCRZAXKQ-IBGZPJMESA-N 1 2 349.438 2.260 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC([C@@H](C)NC(C)=O)CC1 ZINC000360310681 164281896 /nfs/dbraw/zinc/28/18/96/164281896.db2.gz PPGQKENRNRBMTL-FZKQIMNGSA-N 1 2 343.427 2.009 20 30 EEEDLO N#Cc1cccc(/C=C\C(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000490857951 268268503 /nfs/dbraw/zinc/26/85/03/268268503.db2.gz WLPVZWKICYXOOM-FPLPWBNLSA-N 1 2 332.407 2.311 20 30 EEEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000088596122 290219607 /nfs/dbraw/zinc/21/96/07/290219607.db2.gz LROKAYHCYWKZLX-SJORKVTESA-N 1 2 340.471 2.248 20 30 EEEDLO C[C@H](c1ccc(C#N)cc1)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000088596122 290219611 /nfs/dbraw/zinc/21/96/11/290219611.db2.gz LROKAYHCYWKZLX-SJORKVTESA-N 1 2 340.471 2.248 20 30 EEEDLO COC(=O)c1ccc(C[N@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000161776007 311369801 /nfs/dbraw/zinc/36/98/01/311369801.db2.gz KYKBAXPIRPMKJB-KRWDZBQOSA-N 1 2 337.379 2.003 20 30 EEEDLO COC(=O)c1ccc(C[N@@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000161776007 311369802 /nfs/dbraw/zinc/36/98/02/311369802.db2.gz KYKBAXPIRPMKJB-KRWDZBQOSA-N 1 2 337.379 2.003 20 30 EEEDLO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3ncc(C#N)cn3)CCN2C2CC2)c1 ZINC000563617020 319030585 /nfs/dbraw/zinc/03/05/85/319030585.db2.gz YHDMVSBIFGSAQC-AZUAARDMSA-N 1 2 349.438 2.424 20 30 EEEDLO Cc1nc(N2CCN(c3cnccc3C#N)CC2)c2c([nH+]1)CCCC2 ZINC000567049520 319343440 /nfs/dbraw/zinc/34/34/40/319343440.db2.gz CHHQGWCVNWEJPN-UHFFFAOYSA-N 1 2 334.427 2.257 20 30 EEEDLO CC(C)(C)OC(=O)C[N@H+](Cc1ccc(C#N)cn1)C1CCOCC1 ZINC000574650205 320044500 /nfs/dbraw/zinc/04/45/00/320044500.db2.gz RKKJKRLLWAQKQW-UHFFFAOYSA-N 1 2 331.416 2.276 20 30 EEEDLO CC(C)(C)OC(=O)C[N@@H+](Cc1ccc(C#N)cn1)C1CCOCC1 ZINC000574650205 320044502 /nfs/dbraw/zinc/04/45/02/320044502.db2.gz RKKJKRLLWAQKQW-UHFFFAOYSA-N 1 2 331.416 2.276 20 30 EEEDLO CC(C)(C)OC(=O)NC(C)(C)CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000496312264 447755325 /nfs/dbraw/zinc/75/53/25/447755325.db2.gz VLNGYROLSBTFSE-UHFFFAOYSA-N 1 2 345.407 2.363 20 30 EEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Nc1nn(C)cc1C#N ZINC000619536889 450500939 /nfs/dbraw/zinc/50/09/39/450500939.db2.gz ACJJUPZJSJCCFT-CYBMUJFWSA-N 1 2 327.392 2.267 20 30 EEEDLO C=CCOCC[N@@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000339058718 465058785 /nfs/dbraw/zinc/05/87/85/465058785.db2.gz FIIUYPLPPAAIQR-CQSZACIVSA-N 1 2 328.334 2.381 20 30 EEEDLO C=CCOCC[N@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000339058718 465058789 /nfs/dbraw/zinc/05/87/89/465058789.db2.gz FIIUYPLPPAAIQR-CQSZACIVSA-N 1 2 328.334 2.381 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[N@@H+]2CCO[C@@H](CC)C2)cc1OC ZINC000347584019 465105343 /nfs/dbraw/zinc/10/53/43/465105343.db2.gz LFHVRWXKIYOMJE-INIZCTEOSA-N 1 2 348.443 2.101 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[N@H+]2CCO[C@@H](CC)C2)cc1OC ZINC000347584019 465105347 /nfs/dbraw/zinc/10/53/47/465105347.db2.gz LFHVRWXKIYOMJE-INIZCTEOSA-N 1 2 348.443 2.101 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000328781012 465126911 /nfs/dbraw/zinc/12/69/11/465126911.db2.gz FNYBXEJJOLQEAZ-QKPAOTATSA-N 1 2 344.459 2.471 20 30 EEEDLO C=CCN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)C1CC1 ZINC000355501383 465252748 /nfs/dbraw/zinc/25/27/48/465252748.db2.gz CUXOHAYJNKXETQ-KRWDZBQOSA-N 1 2 344.459 2.194 20 30 EEEDLO C=CCN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)C1CC1 ZINC000355501383 465252754 /nfs/dbraw/zinc/25/27/54/465252754.db2.gz CUXOHAYJNKXETQ-KRWDZBQOSA-N 1 2 344.459 2.194 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](CC)C(=O)Nc2ccc(OC)cc2)C1=O ZINC000337232038 465258167 /nfs/dbraw/zinc/25/81/67/465258167.db2.gz VCJFFXVYSCNKAQ-IAGOWNOFSA-N 1 2 345.443 2.131 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](CC)C(=O)Nc2ccc(OC)cc2)C1=O ZINC000337232038 465258173 /nfs/dbraw/zinc/25/81/73/465258173.db2.gz VCJFFXVYSCNKAQ-IAGOWNOFSA-N 1 2 345.443 2.131 20 30 EEEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000329240972 465277487 /nfs/dbraw/zinc/27/74/87/465277487.db2.gz NCSWECIRZZAAGM-HDMKZQKVSA-N 1 2 333.432 2.496 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000341969333 465279185 /nfs/dbraw/zinc/27/91/85/465279185.db2.gz BVDHPYJBPOTYHZ-INIZCTEOSA-N 1 2 331.391 2.183 20 30 EEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C[C@H](CC#N)c1ccccc1 ZINC000356046258 465289163 /nfs/dbraw/zinc/28/91/63/465289163.db2.gz MYGZODSGBQSTBQ-NZSAHSFTSA-N 1 2 341.455 2.396 20 30 EEEDLO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481595 462552516 /nfs/dbraw/zinc/55/25/16/462552516.db2.gz MZMLQTNTSVYFLX-INIZCTEOSA-N 1 2 349.438 2.411 20 30 EEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000153487385 462656623 /nfs/dbraw/zinc/65/66/23/462656623.db2.gz PQANBAIHYXGMOL-LBPRGKRZSA-N 1 2 325.815 2.292 20 30 EEEDLO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000153856146 462700826 /nfs/dbraw/zinc/70/08/26/462700826.db2.gz IRMPTNRZFPHYNV-IEBWSBKVSA-N 1 2 340.471 2.270 20 30 EEEDLO C[C@H](C#N)CN(C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000064797491 462721265 /nfs/dbraw/zinc/72/12/65/462721265.db2.gz HYPNEGHQVMKEPC-CQSZACIVSA-N 1 2 349.504 2.405 20 30 EEEDLO C#CCSCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000130708563 462773291 /nfs/dbraw/zinc/77/32/91/462773291.db2.gz TUQLVNCUSWYBPN-MRXNPFEDSA-N 1 2 334.510 2.259 20 30 EEEDLO C[C@H](CC#N)N(C)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117789334 462812593 /nfs/dbraw/zinc/81/25/93/462812593.db2.gz PBTVBZVLLPVRDU-HUUCEWRRSA-N 1 2 332.423 2.097 20 30 EEEDLO C#CC[N@H+](Cc1cccc(-c2cccnc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092193629 462932938 /nfs/dbraw/zinc/93/29/38/462932938.db2.gz FENOWRIDAQAYLR-LJQANCHMSA-N 1 2 340.448 2.371 20 30 EEEDLO C#CC[N@@H+](Cc1cccc(-c2cccnc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092193629 462932940 /nfs/dbraw/zinc/93/29/40/462932940.db2.gz FENOWRIDAQAYLR-LJQANCHMSA-N 1 2 340.448 2.371 20 30 EEEDLO C[C@@H]1CCc2nc(CN(CCC#N)CC[NH+]3CCOCC3)sc2C1 ZINC000156421272 463023169 /nfs/dbraw/zinc/02/31/69/463023169.db2.gz YZZXMLACRFJXQP-OAHLLOKOSA-N 1 2 348.516 2.316 20 30 EEEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000134357653 463029057 /nfs/dbraw/zinc/02/90/57/463029057.db2.gz VLEYXSWUICMDIP-INIZCTEOSA-N 1 2 340.876 2.094 20 30 EEEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000134357653 463029060 /nfs/dbraw/zinc/02/90/60/463029060.db2.gz VLEYXSWUICMDIP-INIZCTEOSA-N 1 2 340.876 2.094 20 30 EEEDLO N#CC[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)C1CCCC1 ZINC000156664941 463054634 /nfs/dbraw/zinc/05/46/34/463054634.db2.gz ZCTDXDURBYHISJ-UHFFFAOYSA-N 1 2 328.416 2.171 20 30 EEEDLO N#CC[N@H+](CCC(=O)NC(=O)NCc1ccccc1)C1CCCC1 ZINC000156664941 463054640 /nfs/dbraw/zinc/05/46/40/463054640.db2.gz ZCTDXDURBYHISJ-UHFFFAOYSA-N 1 2 328.416 2.171 20 30 EEEDLO C[C@H]1CN(c2ccc(CNC(=O)c3sccc3C#N)c[nH+]2)CCO1 ZINC000052031124 463059497 /nfs/dbraw/zinc/05/94/97/463059497.db2.gz FYOSHOFYSLYOAP-LBPRGKRZSA-N 1 2 342.424 2.170 20 30 EEEDLO CC(=O)N1CC[NH+](CCNc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000077928591 463072090 /nfs/dbraw/zinc/07/20/90/463072090.db2.gz HNHRDHDZMNMIOE-UHFFFAOYSA-N 1 2 340.349 2.153 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1cc(Cl)ccc1OC ZINC000027741823 463202305 /nfs/dbraw/zinc/20/23/05/463202305.db2.gz LMDLRGKAMZPAPF-NSHDSACASA-N 1 2 339.823 2.181 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000027741823 463202308 /nfs/dbraw/zinc/20/23/08/463202308.db2.gz LMDLRGKAMZPAPF-NSHDSACASA-N 1 2 339.823 2.181 20 30 EEEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)CCCn1cc[nH+]c1 ZINC000122191893 463245299 /nfs/dbraw/zinc/24/52/99/463245299.db2.gz ZSHDCIODOMVREO-UHFFFAOYSA-N 1 2 326.400 2.210 20 30 EEEDLO Cc1ccc(C)c(NC(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000029444056 463256913 /nfs/dbraw/zinc/25/69/13/463256913.db2.gz NSEBUVFBKCDMDP-UHFFFAOYSA-N 1 2 349.438 2.331 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029858151 463276748 /nfs/dbraw/zinc/27/67/48/463276748.db2.gz VGIAIDYIYBMGAE-UHFFFAOYSA-N 1 2 344.434 2.244 20 30 EEEDLO CN(C(=O)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)C1(C#N)CCCCC1 ZINC000069902580 463349457 /nfs/dbraw/zinc/34/94/57/463349457.db2.gz KCQFPPWAXFHJKM-JSGCOSHPSA-N 1 2 347.381 2.059 20 30 EEEDLO CN(C(=O)C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)C1(C#N)CCCCC1 ZINC000069902580 463349461 /nfs/dbraw/zinc/34/94/61/463349461.db2.gz KCQFPPWAXFHJKM-JSGCOSHPSA-N 1 2 347.381 2.059 20 30 EEEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000160962332 463385986 /nfs/dbraw/zinc/38/59/86/463385986.db2.gz MJBWRBUFHPLRNV-GOSISDBHSA-N 1 2 330.428 2.075 20 30 EEEDLO N#Cc1c(NC(=O)C[N@@H+](CCO)C2CC2)sc2c1CCCCC2 ZINC000071955990 463478373 /nfs/dbraw/zinc/47/83/73/463478373.db2.gz NWBIWZYUHLPWPQ-UHFFFAOYSA-N 1 2 333.457 2.284 20 30 EEEDLO N#Cc1c(NC(=O)C[N@H+](CCO)C2CC2)sc2c1CCCCC2 ZINC000071955990 463478377 /nfs/dbraw/zinc/47/83/77/463478377.db2.gz NWBIWZYUHLPWPQ-UHFFFAOYSA-N 1 2 333.457 2.284 20 30 EEEDLO N#CC1(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CCCCC1 ZINC000057386506 463483568 /nfs/dbraw/zinc/48/35/68/463483568.db2.gz RXYFMMPPKYXKLC-UHFFFAOYSA-N 1 2 328.416 2.008 20 30 EEEDLO COC(=O)CC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083169171 463537567 /nfs/dbraw/zinc/53/75/67/463537567.db2.gz DHQGRRQBYSKGII-CQSZACIVSA-N 1 2 347.440 2.000 20 30 EEEDLO Cc1cc(C[NH+]2CCN(Cc3cn4ccccc4c3C#N)CC2)on1 ZINC000073350140 463606932 /nfs/dbraw/zinc/60/69/32/463606932.db2.gz HMYKDLYNGNNHRZ-UHFFFAOYSA-N 1 2 335.411 2.425 20 30 EEEDLO N#CCOc1ccc(CC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000110624176 463660228 /nfs/dbraw/zinc/66/02/28/463660228.db2.gz YNLKEJULZUHIRF-UHFFFAOYSA-N 1 2 338.411 2.023 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N(CC(C)C)C2CC2)cc1 ZINC000177477750 463715562 /nfs/dbraw/zinc/71/55/62/463715562.db2.gz MTQIPMBNPSMCBR-UHFFFAOYSA-N 1 2 333.432 2.174 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000287057993 463786739 /nfs/dbraw/zinc/78/67/39/463786739.db2.gz UHNGDZGSVPNMRU-MAUKXSAKSA-N 1 2 333.407 2.118 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@](F)(CO)C1 ZINC000287057993 463786741 /nfs/dbraw/zinc/78/67/41/463786741.db2.gz UHNGDZGSVPNMRU-MAUKXSAKSA-N 1 2 333.407 2.118 20 30 EEEDLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cnc3c(C#N)cnn3c2)c1C ZINC000568748889 468381933 /nfs/dbraw/zinc/38/19/33/468381933.db2.gz NRPNIGMBSDPNNJ-UHFFFAOYSA-N 1 2 348.410 2.288 20 30 EEEDLO Cc1cccc(NC(=O)C[N@H+](C)Cc2cnc3c(C#N)cnn3c2)c1C ZINC000568748889 468381940 /nfs/dbraw/zinc/38/19/40/468381940.db2.gz NRPNIGMBSDPNNJ-UHFFFAOYSA-N 1 2 348.410 2.288 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC)CC1 ZINC000283617530 463944712 /nfs/dbraw/zinc/94/47/12/463944712.db2.gz ALIBIPJRNOXXEK-UHFFFAOYSA-N 1 2 346.438 2.268 20 30 EEEDLO Cc1[nH]nc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1C#N ZINC000278741499 463979066 /nfs/dbraw/zinc/97/90/66/463979066.db2.gz WBWJHWAUKBKQGO-HNNXBMFYSA-N 1 2 341.440 2.318 20 30 EEEDLO CC(C)n1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 ZINC000290097264 464107501 /nfs/dbraw/zinc/10/75/01/464107501.db2.gz JYFQGTNOUVEJBN-KRWDZBQOSA-N 1 2 338.415 2.016 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)n1 ZINC000279707076 464131151 /nfs/dbraw/zinc/13/11/51/464131151.db2.gz JWIRLQZMKYBCNN-LZLYRXPVSA-N 1 2 330.476 2.422 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)n1 ZINC000279707076 464131152 /nfs/dbraw/zinc/13/11/52/464131152.db2.gz JWIRLQZMKYBCNN-LZLYRXPVSA-N 1 2 330.476 2.422 20 30 EEEDLO N#Cc1cccc(OCc2ccoc2C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000172992828 464175104 /nfs/dbraw/zinc/17/51/04/464175104.db2.gz XQLZSXPIIUEQQG-UHFFFAOYSA-N 1 2 336.351 2.426 20 30 EEEDLO C[C@H](O[NH+]=C(N)[C@@H]1CCCO1)C(=O)Nc1ccccc1OC(F)F ZINC000284441956 464192947 /nfs/dbraw/zinc/19/29/47/464192947.db2.gz PJGCPFGTQBFSTF-CABZTGNLSA-N 1 2 343.330 2.083 20 30 EEEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1S(=O)(=O)CCCC#N ZINC000270177462 464209980 /nfs/dbraw/zinc/20/99/80/464209980.db2.gz MGJFASFENWBRBE-OAHLLOKOSA-N 1 2 346.456 2.443 20 30 EEEDLO N#Cc1cc2c(nc1N1CC[NH+](Cc3cccc(O)c3)CC1)CCC2 ZINC000263903148 464233712 /nfs/dbraw/zinc/23/37/12/464233712.db2.gz CAXYYNZWPWLHGS-UHFFFAOYSA-N 1 2 334.423 2.470 20 30 EEEDLO Cc1cc(C(O)=CONC(=[NH2+])[C@@H]2CCCO2)c(C)n1Cc1ccco1 ZINC000284575031 464248282 /nfs/dbraw/zinc/24/82/82/464248282.db2.gz XBWBBHSZKQHXIT-KRWDZBQOSA-N 1 2 345.399 2.397 20 30 EEEDLO Cc1nc(C)c(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)s1 ZINC000329844446 465450244 /nfs/dbraw/zinc/45/02/44/465450244.db2.gz XTAKMPLCVWUWLZ-CQSZACIVSA-N 1 2 338.477 2.492 20 30 EEEDLO C=CCN(C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)C1CC1 ZINC000271361142 464295366 /nfs/dbraw/zinc/29/53/66/464295366.db2.gz FMEHFYSIFZIERN-GOSISDBHSA-N 1 2 343.471 2.290 20 30 EEEDLO COC(=O)C[N@H+](CCc1ccccc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000180572263 464340081 /nfs/dbraw/zinc/34/00/81/464340081.db2.gz DUABYFLYAMHXRA-LJQANCHMSA-N 1 2 338.407 2.309 20 30 EEEDLO COC(=O)C[N@@H+](CCc1ccccc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000180572263 464340089 /nfs/dbraw/zinc/34/00/89/464340089.db2.gz DUABYFLYAMHXRA-LJQANCHMSA-N 1 2 338.407 2.309 20 30 EEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCOCC2CC2)CC1=O ZINC000264494104 464349032 /nfs/dbraw/zinc/34/90/32/464349032.db2.gz BPRYDXUNMWNZDA-UHFFFAOYSA-N 1 2 340.427 2.073 20 30 EEEDLO C[C@@H](c1cccc(NC(=O)C2(C#N)CCOCC2)c1)[NH+]1CCOCC1 ZINC000264516793 464357213 /nfs/dbraw/zinc/35/72/13/464357213.db2.gz CHVSNCYUFDYBGM-HNNXBMFYSA-N 1 2 343.427 2.339 20 30 EEEDLO COc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)Cc2csc(C)n2)cc1 ZINC000174113351 464363939 /nfs/dbraw/zinc/36/39/39/464363939.db2.gz KXVLXMNLYPIGGG-JTQLQIEISA-N 1 2 348.428 2.319 20 30 EEEDLO C=CCC(C)(C)CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000292861664 464367874 /nfs/dbraw/zinc/36/78/74/464367874.db2.gz SAGWYTPKMMTDHA-UHFFFAOYSA-N 1 2 332.448 2.320 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000292988287 464379937 /nfs/dbraw/zinc/37/99/37/464379937.db2.gz BXNAXULDDFRDEG-KRWDZBQOSA-N 1 2 342.439 2.467 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000292988287 464379944 /nfs/dbraw/zinc/37/99/44/464379944.db2.gz BXNAXULDDFRDEG-KRWDZBQOSA-N 1 2 342.439 2.467 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NCc2ccc(Cl)cc2)C1=O ZINC000281237192 464381912 /nfs/dbraw/zinc/38/19/12/464381912.db2.gz FTNPDZBLEUOFTK-CZUORRHYSA-N 1 2 349.862 2.063 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NCc2ccc(Cl)cc2)C1=O ZINC000281237192 464381918 /nfs/dbraw/zinc/38/19/18/464381918.db2.gz FTNPDZBLEUOFTK-CZUORRHYSA-N 1 2 349.862 2.063 20 30 EEEDLO C[C@@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)Cn1cc[nH+]c1 ZINC000293052134 464383522 /nfs/dbraw/zinc/38/35/22/464383522.db2.gz BDNQQOISOWRHKG-JTQLQIEISA-N 1 2 337.305 2.235 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000293292579 464397032 /nfs/dbraw/zinc/39/70/32/464397032.db2.gz WDCGJHZDNYTUAY-IYBDPMFKSA-N 1 2 329.444 2.194 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000293292579 464397038 /nfs/dbraw/zinc/39/70/38/464397038.db2.gz WDCGJHZDNYTUAY-IYBDPMFKSA-N 1 2 329.444 2.194 20 30 EEEDLO C=CCN(CCC#N)C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000293664807 464417256 /nfs/dbraw/zinc/41/72/56/464417256.db2.gz FYLRSNYYTPZFGR-INIZCTEOSA-N 1 2 344.434 2.264 20 30 EEEDLO N#CCC[N@@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1ccccn1 ZINC000174837527 464456785 /nfs/dbraw/zinc/45/67/85/464456785.db2.gz VYHONYNVSCUASD-UHFFFAOYSA-N 1 2 348.406 2.484 20 30 EEEDLO N#CCC[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1ccccn1 ZINC000174837527 464456787 /nfs/dbraw/zinc/45/67/87/464456787.db2.gz VYHONYNVSCUASD-UHFFFAOYSA-N 1 2 348.406 2.484 20 30 EEEDLO CSCCC[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000281503739 464481580 /nfs/dbraw/zinc/48/15/80/464481580.db2.gz UMLPSQQNAJUKMF-ZDUSSCGKSA-N 1 2 344.440 2.197 20 30 EEEDLO CSCCC[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000281503739 464481586 /nfs/dbraw/zinc/48/15/86/464481586.db2.gz UMLPSQQNAJUKMF-ZDUSSCGKSA-N 1 2 344.440 2.197 20 30 EEEDLO CC1(C#N)CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000272499247 464634564 /nfs/dbraw/zinc/63/45/64/464634564.db2.gz DGRYTRAPPGPGHP-UHFFFAOYSA-N 1 2 328.372 2.110 20 30 EEEDLO C=CC[N@@H+](CCC(=O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000182652740 464702149 /nfs/dbraw/zinc/70/21/49/464702149.db2.gz JYPOHWWSJUGRLH-OAHLLOKOSA-N 1 2 325.405 2.074 20 30 EEEDLO C=CC[N@H+](CCC(=O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000182652740 464702155 /nfs/dbraw/zinc/70/21/55/464702155.db2.gz JYPOHWWSJUGRLH-OAHLLOKOSA-N 1 2 325.405 2.074 20 30 EEEDLO C#CCOc1ccc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)cc1 ZINC000273744987 464724103 /nfs/dbraw/zinc/72/41/03/464724103.db2.gz BPHBQWJHXPOVRJ-MRXNPFEDSA-N 1 2 325.368 2.284 20 30 EEEDLO C#CCOc1ccc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)cc1 ZINC000273744987 464724112 /nfs/dbraw/zinc/72/41/12/464724112.db2.gz BPHBQWJHXPOVRJ-MRXNPFEDSA-N 1 2 325.368 2.284 20 30 EEEDLO Cc1noc([C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2C(C)(C)C#N)n1 ZINC000275354298 464771859 /nfs/dbraw/zinc/77/18/59/464771859.db2.gz VGWOZNLAANRONB-GDBMZVCRSA-N 1 2 326.400 2.487 20 30 EEEDLO Cc1noc([C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2C(C)(C)C#N)n1 ZINC000275354298 464771867 /nfs/dbraw/zinc/77/18/67/464771867.db2.gz VGWOZNLAANRONB-GDBMZVCRSA-N 1 2 326.400 2.487 20 30 EEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000191078106 464773511 /nfs/dbraw/zinc/77/35/11/464773511.db2.gz YJEQLDVZQLBVCN-UHFFFAOYSA-N 1 2 340.445 2.224 20 30 EEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000191078106 464773520 /nfs/dbraw/zinc/77/35/20/464773520.db2.gz YJEQLDVZQLBVCN-UHFFFAOYSA-N 1 2 340.445 2.224 20 30 EEEDLO N#C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000176611665 464811315 /nfs/dbraw/zinc/81/13/15/464811315.db2.gz ONOXWXSDVRJAKF-RBUKOAKNSA-N 1 2 341.455 2.476 20 30 EEEDLO N#C[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000176611665 464811322 /nfs/dbraw/zinc/81/13/22/464811322.db2.gz ONOXWXSDVRJAKF-RBUKOAKNSA-N 1 2 341.455 2.476 20 30 EEEDLO Cc1[nH+]c[nH]c1CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000286172551 464828261 /nfs/dbraw/zinc/82/82/61/464828261.db2.gz PYAULLURBDDGQZ-UHFFFAOYSA-N 1 2 341.390 2.262 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)/C=C/c2ccc(C#N)cc2)CCO1 ZINC000276159269 464828535 /nfs/dbraw/zinc/82/85/35/464828535.db2.gz FWYATTWYFBTJHJ-ZZGCUDHESA-N 1 2 336.395 2.341 20 30 EEEDLO COc1ccc([C@@H](C)C[N@H+](CCC#N)CCN2CCOCC2)cc1 ZINC000183372900 464857105 /nfs/dbraw/zinc/85/71/05/464857105.db2.gz RCLVHHIQDCKOAP-KRWDZBQOSA-N 1 2 331.460 2.347 20 30 EEEDLO COc1ccc([C@@H](C)C[N@@H+](CCC#N)CCN2CCOCC2)cc1 ZINC000183372900 464857110 /nfs/dbraw/zinc/85/71/10/464857110.db2.gz RCLVHHIQDCKOAP-KRWDZBQOSA-N 1 2 331.460 2.347 20 30 EEEDLO COc1ccc([C@@H](C)CN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000183372900 464857117 /nfs/dbraw/zinc/85/71/17/464857117.db2.gz RCLVHHIQDCKOAP-KRWDZBQOSA-N 1 2 331.460 2.347 20 30 EEEDLO C=CCSCCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000177030810 464911599 /nfs/dbraw/zinc/91/15/99/464911599.db2.gz VRNANCAMPCQOPI-UHFFFAOYSA-N 1 2 344.440 2.061 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N([C@H](C)C2CC2)C2CC2)cc1 ZINC000267138370 464917949 /nfs/dbraw/zinc/91/79/49/464917949.db2.gz HBKABITYWOSHSF-CYBMUJFWSA-N 1 2 345.443 2.316 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)CC1 ZINC000267166554 464919565 /nfs/dbraw/zinc/91/95/65/464919565.db2.gz SELWIYPXDWCNMF-UHFFFAOYSA-N 1 2 335.407 2.027 20 30 EEEDLO CCOc1ccccc1NC(=O)[C@H](C)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329976382 465494871 /nfs/dbraw/zinc/49/48/71/465494871.db2.gz YPZLSBKCIHCIQP-JLJPHGGASA-N 1 2 333.432 2.077 20 30 EEEDLO CCOc1ccccc1NC(=O)[C@H](C)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329976382 465494875 /nfs/dbraw/zinc/49/48/75/465494875.db2.gz YPZLSBKCIHCIQP-JLJPHGGASA-N 1 2 333.432 2.077 20 30 EEEDLO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000329976382 465494881 /nfs/dbraw/zinc/49/48/81/465494881.db2.gz YPZLSBKCIHCIQP-JLJPHGGASA-N 1 2 333.432 2.077 20 30 EEEDLO CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000329976382 465494883 /nfs/dbraw/zinc/49/48/83/465494883.db2.gz YPZLSBKCIHCIQP-JLJPHGGASA-N 1 2 333.432 2.077 20 30 EEEDLO Cc1oc(NC(=O)C[NH2+][C@H](C)c2nnc3ccccn32)c(C#N)c1C ZINC000192785667 464998175 /nfs/dbraw/zinc/99/81/75/464998175.db2.gz FRYVBPPOCIOZKM-LLVKDONJSA-N 1 2 338.371 2.100 20 30 EEEDLO COC(=O)[C@@]1(C)CCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192796397 464999996 /nfs/dbraw/zinc/99/99/96/464999996.db2.gz SQPFGOGEGXRKLH-VQIMIIECSA-N 1 2 341.411 2.081 20 30 EEEDLO COC(=O)[C@@]1(C)CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192796397 464999998 /nfs/dbraw/zinc/99/99/98/464999998.db2.gz SQPFGOGEGXRKLH-VQIMIIECSA-N 1 2 341.411 2.081 20 30 EEEDLO C#CC[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)c1ccccc1 ZINC000286698309 465008599 /nfs/dbraw/zinc/00/85/99/465008599.db2.gz LKUDKXCPCZPEDX-NEWSRXKRSA-N 1 2 341.455 2.256 20 30 EEEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)Nc2cnc3c(c2)CCCC3)CC1 ZINC000329437088 465333675 /nfs/dbraw/zinc/33/36/75/465333675.db2.gz JFTKMFBDLKLNAN-UHFFFAOYSA-N 1 2 345.447 2.437 20 30 EEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)[C@]12CCCO2 ZINC000329443680 465335304 /nfs/dbraw/zinc/33/53/04/465335304.db2.gz BYJQWLWGZJSDAI-LZLYRXPVSA-N 1 2 348.447 2.230 20 30 EEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)[C@]12CCCO2 ZINC000329443680 465335306 /nfs/dbraw/zinc/33/53/06/465335306.db2.gz BYJQWLWGZJSDAI-LZLYRXPVSA-N 1 2 348.447 2.230 20 30 EEEDLO C=CCC[N@@H+](C)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000342743093 465344748 /nfs/dbraw/zinc/34/47/48/465344748.db2.gz YJEKPOGWLZFRSE-UHFFFAOYSA-N 1 2 330.837 2.190 20 30 EEEDLO C=CCC[N@H+](C)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000342743093 465344754 /nfs/dbraw/zinc/34/47/54/465344754.db2.gz YJEKPOGWLZFRSE-UHFFFAOYSA-N 1 2 330.837 2.190 20 30 EEEDLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000329505713 465356873 /nfs/dbraw/zinc/35/68/73/465356873.db2.gz IRWKVDBMUZOEET-CQSZACIVSA-N 1 2 330.388 2.198 20 30 EEEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000329596009 465381330 /nfs/dbraw/zinc/38/13/30/465381330.db2.gz IMAQLZGVHSXCMM-ZOBUZTSGSA-N 1 2 344.459 2.393 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@H](c2ccsc2)C1 ZINC000329604984 465383996 /nfs/dbraw/zinc/38/39/96/465383996.db2.gz LYLVFYDEHSWOGZ-DOMZBBRYSA-N 1 2 332.429 2.316 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@H](c2ccsc2)C1 ZINC000329604984 465384001 /nfs/dbraw/zinc/38/40/01/465384001.db2.gz LYLVFYDEHSWOGZ-DOMZBBRYSA-N 1 2 332.429 2.316 20 30 EEEDLO Cc1ccn2cc(CNC(=O)C(=O)Nc3cc(C#N)ccc3C)[nH+]c2c1 ZINC000351882310 465416487 /nfs/dbraw/zinc/41/64/87/465416487.db2.gz FFRLRJOKCCJOJV-UHFFFAOYSA-N 1 2 347.378 2.078 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc3n(n1)CCCO3)C2 ZINC000329897343 465467015 /nfs/dbraw/zinc/46/70/15/465467015.db2.gz LGWLCKFBLYNMTQ-GFCCVEGCSA-N 1 2 343.431 2.479 20 30 EEEDLO CCN1CCN(CC(=O)NC2(C#N)CCCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329899643 465467435 /nfs/dbraw/zinc/46/74/35/465467435.db2.gz FRCCDLHNOIWUFF-OAHLLOKOSA-N 1 2 344.463 2.271 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CCO1 ZINC000329924768 465475456 /nfs/dbraw/zinc/47/54/56/465475456.db2.gz HVCYHBVFPHBKSU-QPSCCSFWSA-N 1 2 338.427 2.104 20 30 EEEDLO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1nnc(C2CCC2)[nH]1 ZINC000330017110 465506824 /nfs/dbraw/zinc/50/68/24/465506824.db2.gz QOYAYPCEYBGTJP-UHFFFAOYSA-N 1 2 340.391 2.245 20 30 EEEDLO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000330017110 465506827 /nfs/dbraw/zinc/50/68/27/465506827.db2.gz QOYAYPCEYBGTJP-UHFFFAOYSA-N 1 2 340.391 2.245 20 30 EEEDLO CCCOc1ccc(CNC(=O)C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352464163 465531548 /nfs/dbraw/zinc/53/15/48/465531548.db2.gz PSNVHMXVVAZDFH-UHFFFAOYSA-N 1 2 333.407 2.419 20 30 EEEDLO N#CC1(F)CC[NH+](CC(=O)NCCOc2ccc(Cl)cc2)CC1 ZINC000352469860 465532251 /nfs/dbraw/zinc/53/22/51/465532251.db2.gz ZXMFYTXXVXPVTF-UHFFFAOYSA-N 1 2 339.798 2.163 20 30 EEEDLO Cn1nccc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348320852 465548733 /nfs/dbraw/zinc/54/87/33/465548733.db2.gz DFFDRCOFMOOEFF-QGZVFWFLSA-N 1 2 329.835 2.456 20 30 EEEDLO CN1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1=O ZINC000330159748 465554046 /nfs/dbraw/zinc/55/40/46/465554046.db2.gz QQWOCPJPOGAUCB-JKSUJKDBSA-N 1 2 333.407 2.367 20 30 EEEDLO CN1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1=O ZINC000330159748 465554051 /nfs/dbraw/zinc/55/40/51/465554051.db2.gz QQWOCPJPOGAUCB-JKSUJKDBSA-N 1 2 333.407 2.367 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000362211351 465575998 /nfs/dbraw/zinc/57/59/98/465575998.db2.gz BSOQVNJGSIBEMP-OAHLLOKOSA-N 1 2 348.443 2.053 20 30 EEEDLO CCN1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000548674894 468448893 /nfs/dbraw/zinc/44/88/93/468448893.db2.gz OVHSEJHVOTXARB-KRWDZBQOSA-N 1 2 349.438 2.484 20 30 EEEDLO C=CCCC1(C(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)CC1 ZINC000357126879 465793634 /nfs/dbraw/zinc/79/36/34/465793634.db2.gz PHFYERQHGRZRPW-UHFFFAOYSA-N 1 2 336.476 2.119 20 30 EEEDLO C[C@@H](C[NH+]1CCCCC1)NC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000330796923 465806395 /nfs/dbraw/zinc/80/63/95/465806395.db2.gz HCBNZFNVYNCJRC-NSHDSACASA-N 1 2 325.482 2.458 20 30 EEEDLO N#Cc1ccc(-n2ccc(NC(=O)c3ccc4[nH+]ccn4c3)n2)c(F)c1 ZINC000371704125 465952470 /nfs/dbraw/zinc/95/24/70/465952470.db2.gz SMNLVRQQYQHPCB-UHFFFAOYSA-N 1 2 346.325 2.783 20 30 EEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCOCC3(CCC3)C2)C1=O ZINC000371889557 466054105 /nfs/dbraw/zinc/05/41/05/466054105.db2.gz YPWMOFCPILZZLH-AWEZNQCLSA-N 1 2 331.441 2.228 20 30 EEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCOCC3(CCC3)C2)C1=O ZINC000371889557 466054112 /nfs/dbraw/zinc/05/41/12/466054112.db2.gz YPWMOFCPILZZLH-AWEZNQCLSA-N 1 2 331.441 2.228 20 30 EEEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000580325516 468475632 /nfs/dbraw/zinc/47/56/32/468475632.db2.gz PYXBBZKMNNYVNN-CYBMUJFWSA-N 1 2 325.359 2.229 20 30 EEEDLO C=CCCCCCN(C)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000340564765 466175226 /nfs/dbraw/zinc/17/52/26/466175226.db2.gz BASSSKZTTVKNPD-UHFFFAOYSA-N 1 2 346.475 2.083 20 30 EEEDLO CC[C@H](C(=O)N1CCc2c1cccc2C#N)[N@@H+]1CCO[C@@H](CC)C1 ZINC000332238056 466463861 /nfs/dbraw/zinc/46/38/61/466463861.db2.gz HPXSMGMSQCDCQK-DOTOQJQBSA-N 1 2 327.428 2.337 20 30 EEEDLO CC[C@H](C(=O)N1CCc2c1cccc2C#N)[N@H+]1CCO[C@@H](CC)C1 ZINC000332238056 466463863 /nfs/dbraw/zinc/46/38/63/466463863.db2.gz HPXSMGMSQCDCQK-DOTOQJQBSA-N 1 2 327.428 2.337 20 30 EEEDLO C=CCCCNC(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000354436391 466567982 /nfs/dbraw/zinc/56/79/82/466567982.db2.gz KJMKICVWSXGEFH-OAHLLOKOSA-N 1 2 335.452 2.340 20 30 EEEDLO C=CCCCNC(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000354436391 466567988 /nfs/dbraw/zinc/56/79/88/466567988.db2.gz KJMKICVWSXGEFH-OAHLLOKOSA-N 1 2 335.452 2.340 20 30 EEEDLO N#CC1(NC(=O)C[N@H+](Cc2cccs2)[C@H]2C=C[C@@H](CO)C2)CCC1 ZINC000347336017 466575550 /nfs/dbraw/zinc/57/55/50/466575550.db2.gz NVPYOTIXXMSXKR-CABCVRRESA-N 1 2 345.468 2.050 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+](Cc2cccs2)[C@H]2C=C[C@@H](CO)C2)CCC1 ZINC000347336017 466575556 /nfs/dbraw/zinc/57/55/56/466575556.db2.gz NVPYOTIXXMSXKR-CABCVRRESA-N 1 2 345.468 2.050 20 30 EEEDLO C=CCCCN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000410538250 466703149 /nfs/dbraw/zinc/70/31/49/466703149.db2.gz ALDBETLECMKGPH-QGZVFWFLSA-N 1 2 343.471 2.144 20 30 EEEDLO C=CCCCN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000410538250 466703150 /nfs/dbraw/zinc/70/31/50/466703150.db2.gz ALDBETLECMKGPH-QGZVFWFLSA-N 1 2 343.471 2.144 20 30 EEEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NS(=O)(=O)[C@@H](C)C#N)c(C)c1 ZINC000416439391 466733910 /nfs/dbraw/zinc/73/39/10/466733910.db2.gz BVFAMWSXTGTEQY-HOCLYGCPSA-N 1 2 332.429 2.073 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365667061 466902407 /nfs/dbraw/zinc/90/24/07/466902407.db2.gz DKYURFLASZVDOQ-QZTJIDSGSA-N 1 2 337.379 2.321 20 30 EEEDLO C=CCn1cc(C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)nn1 ZINC000424295965 467023592 /nfs/dbraw/zinc/02/35/92/467023592.db2.gz NWKJFJBEOBKMLS-GFCCVEGCSA-N 1 2 332.404 2.341 20 30 EEEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000413392481 467233326 /nfs/dbraw/zinc/23/33/26/467233326.db2.gz CXHMGBLQKLDMDL-QGZVFWFLSA-N 1 2 344.459 2.441 20 30 EEEDLO C[N@H+](CC(=O)NCc1ccc(OC(F)F)cc1)CC(C)(C)C#N ZINC000433303281 467316759 /nfs/dbraw/zinc/31/67/59/467316759.db2.gz KPWZYRGGCWKTOZ-UHFFFAOYSA-N 1 2 325.359 2.386 20 30 EEEDLO C[N@@H+](CC(=O)NCc1ccc(OC(F)F)cc1)CC(C)(C)C#N ZINC000433303281 467316760 /nfs/dbraw/zinc/31/67/60/467316760.db2.gz KPWZYRGGCWKTOZ-UHFFFAOYSA-N 1 2 325.359 2.386 20 30 EEEDLO N#Cc1cncc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1 ZINC000420589637 467430369 /nfs/dbraw/zinc/43/03/69/467430369.db2.gz UHWZPZYLZCGGHN-UHFFFAOYSA-N 1 2 343.818 2.203 20 30 EEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)NCC1(CC#N)CC1 ZINC000431115067 467497307 /nfs/dbraw/zinc/49/73/07/467497307.db2.gz PAMSLMDVUIKGFY-UHFFFAOYSA-N 1 2 329.326 2.281 20 30 EEEDLO COC(=O)c1ccc(N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)s1 ZINC000453583504 467499683 /nfs/dbraw/zinc/49/96/83/467499683.db2.gz JRWXJMZNOBGIBL-UHFFFAOYSA-N 1 2 344.440 2.067 20 30 EEEDLO COc1ccccc1C[NH+]1CCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000431207594 467501760 /nfs/dbraw/zinc/50/17/60/467501760.db2.gz NICBFFRECTWHNU-UHFFFAOYSA-N 1 2 342.443 2.216 20 30 EEEDLO CC(C)c1ncc(C[N@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cn1 ZINC000440456696 467569735 /nfs/dbraw/zinc/56/97/35/467569735.db2.gz CQJBRYHCRSTQOE-KSSFIOAISA-N 1 2 331.464 2.475 20 30 EEEDLO CC(C)c1ncc(C[N@@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cn1 ZINC000440456696 467569737 /nfs/dbraw/zinc/56/97/37/467569737.db2.gz CQJBRYHCRSTQOE-KSSFIOAISA-N 1 2 331.464 2.475 20 30 EEEDLO Cc1nc(N2CCN(C(=O)/C=C\c3cccc(C#N)c3)CC2)cc[nH+]1 ZINC000492620158 467690982 /nfs/dbraw/zinc/69/09/82/467690982.db2.gz DVSRBTGTLWCENA-WAYWQWQTSA-N 1 2 333.395 2.019 20 30 EEEDLO COCc1ccc(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1C#N ZINC000529208219 467828388 /nfs/dbraw/zinc/82/83/88/467828388.db2.gz ZDRSQSWFZVBUIW-AWEZNQCLSA-N 1 2 325.372 2.107 20 30 EEEDLO COCc1ccc(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1C#N ZINC000529208219 467828392 /nfs/dbraw/zinc/82/83/92/467828392.db2.gz ZDRSQSWFZVBUIW-AWEZNQCLSA-N 1 2 325.372 2.107 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CCCO1 ZINC000497135236 467851883 /nfs/dbraw/zinc/85/18/83/467851883.db2.gz XGHUMVFNOROGIN-OAHLLOKOSA-N 1 2 335.404 2.267 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CCCO1 ZINC000497135236 467851885 /nfs/dbraw/zinc/85/18/85/467851885.db2.gz XGHUMVFNOROGIN-OAHLLOKOSA-N 1 2 335.404 2.267 20 30 EEEDLO N#CCCC1CC[NH+](CC2=Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000516924668 468056399 /nfs/dbraw/zinc/05/63/99/468056399.db2.gz VGKGBOUXRDUVHT-UHFFFAOYSA-N 1 2 332.429 2.024 20 30 EEEDLO N#Cc1ncccc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000589557156 468161826 /nfs/dbraw/zinc/16/18/26/468161826.db2.gz CKTCFCXYPAGEIW-UHFFFAOYSA-N 1 2 336.395 2.047 20 30 EEEDLO N#CC1(CNC(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000567174582 468166040 /nfs/dbraw/zinc/16/60/40/468166040.db2.gz ISOWGGNKJRVKCV-UHFFFAOYSA-N 1 2 336.351 2.232 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCOc1ccc(F)c(Cl)c1 ZINC000567276701 468168337 /nfs/dbraw/zinc/16/83/37/468168337.db2.gz SEUKGQVGAGYQFM-OAHLLOKOSA-N 1 2 327.787 2.208 20 30 EEEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000567616684 468174767 /nfs/dbraw/zinc/17/47/67/468174767.db2.gz JLHBGRLZZPUFTO-ZDUSSCGKSA-N 1 2 339.399 2.392 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)nc1 ZINC000496365584 468197218 /nfs/dbraw/zinc/19/72/18/468197218.db2.gz RYONZJFXKZKGKB-UHFFFAOYSA-N 1 2 334.379 2.468 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)nc1 ZINC000496365584 468197225 /nfs/dbraw/zinc/19/72/25/468197225.db2.gz RYONZJFXKZKGKB-UHFFFAOYSA-N 1 2 334.379 2.468 20 30 EEEDLO C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)CC(C)(C)C#N ZINC000590123123 468217897 /nfs/dbraw/zinc/21/78/97/468217897.db2.gz KWBWQTGMHBPNEK-UHFFFAOYSA-N 1 2 349.232 2.439 20 30 EEEDLO C[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)CC(C)(C)C#N ZINC000590123123 468217901 /nfs/dbraw/zinc/21/79/01/468217901.db2.gz KWBWQTGMHBPNEK-UHFFFAOYSA-N 1 2 349.232 2.439 20 30 EEEDLO C#CC[N@@H+](CC)[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000490852055 468257084 /nfs/dbraw/zinc/25/70/84/468257084.db2.gz KOEUSYRISCTICY-LLVKDONJSA-N 1 2 347.440 2.486 20 30 EEEDLO C#CC[N@H+](CC)[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000490852055 468257088 /nfs/dbraw/zinc/25/70/88/468257088.db2.gz KOEUSYRISCTICY-LLVKDONJSA-N 1 2 347.440 2.486 20 30 EEEDLO COc1cc[nH+]cc1CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000590469556 468262028 /nfs/dbraw/zinc/26/20/28/468262028.db2.gz MATIVSIZNDGNKD-KRWDZBQOSA-N 1 2 336.395 2.247 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c(Br)c1 ZINC000592155271 468641435 /nfs/dbraw/zinc/64/14/35/468641435.db2.gz ZHQJJTQYIHATTH-AWEZNQCLSA-N 1 2 325.206 2.308 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)c(Br)c1 ZINC000592155271 468641438 /nfs/dbraw/zinc/64/14/38/468641438.db2.gz ZHQJJTQYIHATTH-AWEZNQCLSA-N 1 2 325.206 2.308 20 30 EEEDLO COc1cc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)sn1 ZINC000595286947 468800689 /nfs/dbraw/zinc/80/06/89/468800689.db2.gz ODOHFQMVGWCGFJ-UHFFFAOYSA-N 1 2 328.441 2.341 20 30 EEEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC([C@H](C)CO)CC2)c(C#N)c1C ZINC000593082457 468863868 /nfs/dbraw/zinc/86/38/68/468863868.db2.gz HKVSKNHAYTZAFZ-YPMHNXCESA-N 1 2 333.432 2.436 20 30 EEEDLO C=CCCn1cc(C(=O)N2CCCC[C@@H]2c2[nH+]ccn2CC)nn1 ZINC000572150218 468893487 /nfs/dbraw/zinc/89/34/87/468893487.db2.gz KOBZWBBOERNEIB-OAHLLOKOSA-N 1 2 328.420 2.438 20 30 EEEDLO Cc1cc(C)n(-c2ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc2)n1 ZINC000572188496 468898002 /nfs/dbraw/zinc/89/80/02/468898002.db2.gz GFNRPTMFOUOAPU-SFHVURJKSA-N 1 2 325.416 2.063 20 30 EEEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C2(C#N)CCCCC2)cn1 ZINC000561698700 468906144 /nfs/dbraw/zinc/90/61/44/468906144.db2.gz XMCUXVIIDLKOQR-UHFFFAOYSA-N 1 2 340.431 2.119 20 30 EEEDLO N#CCCCCNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601572171 468923756 /nfs/dbraw/zinc/92/37/56/468923756.db2.gz PFAZRDZNHUJMLM-UHFFFAOYSA-N 1 2 333.461 2.128 20 30 EEEDLO CC#CCCCC(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601643006 468949049 /nfs/dbraw/zinc/94/90/49/468949049.db2.gz LQKGGPSFPKGCOE-UHFFFAOYSA-N 1 2 346.496 2.061 20 30 EEEDLO C[N@@H+](Cc1ccc(C#N)cc1Br)C[C@@H]1COCCO1 ZINC000595734843 468975757 /nfs/dbraw/zinc/97/57/57/468975757.db2.gz BZKGGJZMJDHWHI-CYBMUJFWSA-N 1 2 325.206 2.168 20 30 EEEDLO C[N@H+](Cc1ccc(C#N)cc1Br)C[C@@H]1COCCO1 ZINC000595734843 468975764 /nfs/dbraw/zinc/97/57/64/468975764.db2.gz BZKGGJZMJDHWHI-CYBMUJFWSA-N 1 2 325.206 2.168 20 30 EEEDLO COc1ccc(-c2cc(C[NH+]3CCN(CCC#N)CC3)on2)cc1 ZINC000611174195 469182398 /nfs/dbraw/zinc/18/23/98/469182398.db2.gz BAYUOHMPSDAZLI-UHFFFAOYSA-N 1 2 326.400 2.381 20 30 EEEDLO C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000611179541 469184395 /nfs/dbraw/zinc/18/43/95/469184395.db2.gz RHIODGGEYJPOEE-NWDGAFQWSA-N 1 2 333.457 2.282 20 30 EEEDLO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000611179541 469184396 /nfs/dbraw/zinc/18/43/96/469184396.db2.gz RHIODGGEYJPOEE-NWDGAFQWSA-N 1 2 333.457 2.282 20 30 EEEDLO CC(C)(C)n1ncc2c1nc(NCCc1ccc(C#N)cc1)[nH+]c2N ZINC000596322693 469243304 /nfs/dbraw/zinc/24/33/04/469243304.db2.gz VSCKLSZLLASRDQ-UHFFFAOYSA-N 1 2 335.415 2.690 20 30 EEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000603070715 469251336 /nfs/dbraw/zinc/25/13/36/469251336.db2.gz RYZXIQVUXVHSEB-MLGOLLRUSA-N 1 2 332.379 2.024 20 30 EEEDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000564873153 469261195 /nfs/dbraw/zinc/26/11/95/469261195.db2.gz UOUHUBFVXUHNPG-ABAIWWIYSA-N 1 2 336.417 2.035 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCO[C@@H]4CCC[C@@H]43)C2=O)cc1 ZINC000599597416 469304688 /nfs/dbraw/zinc/30/46/88/469304688.db2.gz AFWBPJGZDRLIFW-RCCFBDPRSA-N 1 2 325.412 2.307 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCO[C@@H]4CCC[C@@H]43)C2=O)cc1 ZINC000599597416 469304691 /nfs/dbraw/zinc/30/46/91/469304691.db2.gz AFWBPJGZDRLIFW-RCCFBDPRSA-N 1 2 325.412 2.307 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1C#N ZINC000615806941 469319427 /nfs/dbraw/zinc/31/94/27/469319427.db2.gz VYYZIQDNPKFUFD-GMBSWORKSA-N 1 2 349.438 2.138 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1C#N ZINC000615806941 469319431 /nfs/dbraw/zinc/31/94/31/469319431.db2.gz VYYZIQDNPKFUFD-GMBSWORKSA-N 1 2 349.438 2.138 20 30 EEEDLO Cc1nc2ccccn2c1[C@H]1C(=O)NCC[N@H+]1C[C@H](C)CCC#N ZINC000602474791 469332594 /nfs/dbraw/zinc/33/25/94/469332594.db2.gz RQQKTACEMVXESM-DYVFJYSZSA-N 1 2 325.416 2.056 20 30 EEEDLO Cc1nc2ccccn2c1[C@H]1C(=O)NCC[N@@H+]1C[C@H](C)CCC#N ZINC000602474791 469332596 /nfs/dbraw/zinc/33/25/96/469332596.db2.gz RQQKTACEMVXESM-DYVFJYSZSA-N 1 2 325.416 2.056 20 30 EEEDLO Cc1ncc(C[N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)s1 ZINC000625090118 470074607 /nfs/dbraw/zinc/07/46/07/470074607.db2.gz RIRWPXJOQUBXOR-UHFFFAOYSA-N 1 2 339.420 2.183 20 30 EEEDLO Cc1ncc(C[N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)s1 ZINC000625090118 470074610 /nfs/dbraw/zinc/07/46/10/470074610.db2.gz RIRWPXJOQUBXOR-UHFFFAOYSA-N 1 2 339.420 2.183 20 30 EEEDLO C=CCn1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)nn1 ZINC000648746135 470333107 /nfs/dbraw/zinc/33/31/07/470333107.db2.gz LHQIHARXAVHLKQ-UHFFFAOYSA-N 1 2 332.433 2.159 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2cc(F)ccc2Br)nn1 ZINC000640935328 471127889 /nfs/dbraw/zinc/12/78/89/471127889.db2.gz MQZQCCFPZJWFHP-UHFFFAOYSA-N 1 2 337.196 2.341 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)Cc2ccc3ccccc3c2)nn1 ZINC000641226453 471248642 /nfs/dbraw/zinc/24/86/42/471248642.db2.gz JZPXIGOVVIXIRT-HXUWFJFHSA-N 1 2 334.423 2.148 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[N@H+](C)[C@@H](CNC(=O)[C@](C)(C=C)CC)C1 ZINC000652497897 471300976 /nfs/dbraw/zinc/30/09/76/471300976.db2.gz PTPHREYYPKWDMA-DBVUQKKJSA-N 1 2 349.519 2.450 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[N@@H+](C)[C@@H](CNC(=O)[C@](C)(C=C)CC)C1 ZINC000652497897 471300978 /nfs/dbraw/zinc/30/09/78/471300978.db2.gz PTPHREYYPKWDMA-DBVUQKKJSA-N 1 2 349.519 2.450 20 30 EEEDLO C=CC[N@@H+](Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1C)C(C)(C)C ZINC000661755771 471875303 /nfs/dbraw/zinc/87/53/03/471875303.db2.gz YELGVCCQHHIGQJ-UHFFFAOYSA-N 1 2 347.463 2.422 20 30 EEEDLO C=CC[N@H+](Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1C)C(C)(C)C ZINC000661755771 471875307 /nfs/dbraw/zinc/87/53/07/471875307.db2.gz YELGVCCQHHIGQJ-UHFFFAOYSA-N 1 2 347.463 2.422 20 30 EEEDLO CCOCC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccc(C(=O)OC)o1 ZINC000361578081 485659129 /nfs/dbraw/zinc/65/91/29/485659129.db2.gz NNNGARVKCVCRIL-UHFFFAOYSA-N 1 2 345.399 2.315 20 30 EEEDLO CCOCC[N@H+](Cc1cc(C#N)n(C)c1)Cc1ccc(C(=O)OC)o1 ZINC000361578081 485659136 /nfs/dbraw/zinc/65/91/36/485659136.db2.gz NNNGARVKCVCRIL-UHFFFAOYSA-N 1 2 345.399 2.315 20 30 EEEDLO Cc1cc(N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)nc(C(C)C)[nH+]1 ZINC000152765227 533898268 /nfs/dbraw/zinc/89/82/68/533898268.db2.gz YNWJZYFXTVREFS-UHFFFAOYSA-N 1 2 338.415 2.071 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)Oc1cc(Br)cc(C#N)c1 ZINC001229283821 1187448776 /nfs/dbraw/zinc/44/87/76/1187448776.db2.gz RSEAMCIPIRSASQ-LLVKDONJSA-N 1 2 325.206 2.420 20 30 EEEDLO C=C(CC)CNC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000454028794 534404548 /nfs/dbraw/zinc/40/45/48/534404548.db2.gz LESIGIJHOSOZPI-OAHLLOKOSA-N 1 2 345.443 2.101 20 30 EEEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]O[C@H]2CCOC2)cc1 ZINC000495613574 534892744 /nfs/dbraw/zinc/89/27/44/534892744.db2.gz XZHAHHCQLFELOB-AWEZNQCLSA-N 1 2 335.404 2.137 20 30 EEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000191110283 526299408 /nfs/dbraw/zinc/29/94/08/526299408.db2.gz SCTAYKWNQXWGOQ-UHFFFAOYSA-N 1 2 342.823 2.430 20 30 EEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000191110283 526299411 /nfs/dbraw/zinc/29/94/11/526299411.db2.gz SCTAYKWNQXWGOQ-UHFFFAOYSA-N 1 2 342.823 2.430 20 30 EEEDLO C=CCN(CCc1ccccc1)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356377183 526308813 /nfs/dbraw/zinc/30/88/13/526308813.db2.gz RGFFLNRMQFBASG-KRWDZBQOSA-N 1 2 331.460 2.147 20 30 EEEDLO C=CCN(CCc1ccccc1)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356377183 526308819 /nfs/dbraw/zinc/30/88/19/526308819.db2.gz RGFFLNRMQFBASG-KRWDZBQOSA-N 1 2 331.460 2.147 20 30 EEEDLO C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105301600 526353533 /nfs/dbraw/zinc/35/35/33/526353533.db2.gz RUUSOMXNHUVFQD-DLBZAZTESA-N 1 2 331.460 2.493 20 30 EEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cccc(OCC(F)(F)F)c1 ZINC000112335472 526689146 /nfs/dbraw/zinc/68/91/46/526689146.db2.gz UDILCAXUPZQYKR-UHFFFAOYSA-N 1 2 347.337 2.331 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000292044541 527614683 /nfs/dbraw/zinc/61/46/83/527614683.db2.gz AJXZZUHLBPEAFX-HOTGVXAUSA-N 1 2 335.492 2.154 20 30 EEEDLO C=CCN(CC=C)C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000111896569 527621874 /nfs/dbraw/zinc/62/18/74/527621874.db2.gz HCBJOHUQUSJGPM-IBGZPJMESA-N 1 2 343.471 2.314 20 30 EEEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000292210348 527658596 /nfs/dbraw/zinc/65/85/96/527658596.db2.gz OICIHDYJDPVBHN-UHFFFAOYSA-N 1 2 347.415 2.443 20 30 EEEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000292210348 527658600 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1207550190 /nfs/dbraw/zinc/55/01/90/1207550190.db2.gz MOBRCMXUMDFFSL-TZMCWYRMSA-N 1 2 339.233 2.424 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C#N)C2)c(OC)c1 ZINC000932164299 1207550908 /nfs/dbraw/zinc/55/09/08/1207550908.db2.gz ZHLCTOVAISNXMR-DLBZAZTESA-N 1 2 330.428 2.399 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C#N)C2)c(OC)c1 ZINC000932164299 1207550910 /nfs/dbraw/zinc/55/09/10/1207550910.db2.gz ZHLCTOVAISNXMR-DLBZAZTESA-N 1 2 330.428 2.399 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934415495 1207957391 /nfs/dbraw/zinc/95/73/91/1207957391.db2.gz OUVNKYGHNMFBAQ-CQSZACIVSA-N 1 2 337.427 2.459 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934415495 1207957393 /nfs/dbraw/zinc/95/73/93/1207957393.db2.gz OUVNKYGHNMFBAQ-CQSZACIVSA-N 1 2 337.427 2.459 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(CC)(CC)CC)C2 ZINC001111185217 1208334935 /nfs/dbraw/zinc/33/49/35/1208334935.db2.gz XBJHWMCSQWWGEH-OAGGEKHMSA-N 1 2 335.492 2.227 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(CC)(CC)CC)C2 ZINC001111185217 1208334939 /nfs/dbraw/zinc/33/49/39/1208334939.db2.gz XBJHWMCSQWWGEH-OAGGEKHMSA-N 1 2 335.492 2.227 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nonc3C)[C@H](C)C2)cc1 ZINC000947610568 1208643547 /nfs/dbraw/zinc/64/35/47/1208643547.db2.gz ASGJXDDRZDPOJN-DYVFJYSZSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nonc3C)[C@H](C)C2)cc1 ZINC000947610568 1208643550 /nfs/dbraw/zinc/64/35/50/1208643550.db2.gz ASGJXDDRZDPOJN-DYVFJYSZSA-N 1 2 338.411 2.142 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1c(Cl)cnn1C ZINC000948915806 1209450954 /nfs/dbraw/zinc/45/09/54/1209450954.db2.gz FDYIGROKZYUYTI-MRXNPFEDSA-N 1 2 342.830 2.036 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1c(Cl)cnn1C ZINC000948915806 1209450957 /nfs/dbraw/zinc/45/09/57/1209450957.db2.gz FDYIGROKZYUYTI-MRXNPFEDSA-N 1 2 342.830 2.036 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C[C@@H](O)c2ccccc2)[C@@H](C#N)C1 ZINC000779337782 1209996260 /nfs/dbraw/zinc/99/62/60/1209996260.db2.gz FAAMXSXXEITGOQ-HRCADAONSA-N 1 2 331.416 2.069 20 30 EEEDLO C=CCCC(=O)N[C@]1(CO)CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001111338947 1210509040 /nfs/dbraw/zinc/50/90/40/1210509040.db2.gz ZCNSGPBRYFRDCO-LJQANCHMSA-N 1 2 344.459 2.076 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC000950953772 1210523534 /nfs/dbraw/zinc/52/35/34/1210523534.db2.gz JQECCRCCECZISM-LSDHHAIUSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC000950953772 1210523539 /nfs/dbraw/zinc/52/35/39/1210523539.db2.gz JQECCRCCECZISM-LSDHHAIUSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)nc(C(C)C)[nH]c2=O)C1 ZINC001015478326 1225309487 /nfs/dbraw/zinc/30/94/87/1225309487.db2.gz WKGRTVDKNSLZMD-LBPRGKRZSA-N 1 2 338.839 2.171 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cnoc1)C2 ZINC001095906160 1213830775 /nfs/dbraw/zinc/83/07/75/1213830775.db2.gz ZKTWFIJDTLBZMS-SQNIBIBYSA-N 1 2 336.395 2.010 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cnoc1)C2 ZINC001095906160 1213830781 /nfs/dbraw/zinc/83/07/81/1213830781.db2.gz ZKTWFIJDTLBZMS-SQNIBIBYSA-N 1 2 336.395 2.010 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001015679334 1225542494 /nfs/dbraw/zinc/54/24/94/1225542494.db2.gz ZJTJISKUPNCMGY-SFHVURJKSA-N 1 2 348.381 2.078 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001015679334 1225542497 /nfs/dbraw/zinc/54/24/97/1225542497.db2.gz ZJTJISKUPNCMGY-SFHVURJKSA-N 1 2 348.381 2.078 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(COC)cc3)CC2)nc1 ZINC000957378876 1215088553 /nfs/dbraw/zinc/08/85/53/1215088553.db2.gz MMVJTVXJJUBCIY-UHFFFAOYSA-N 1 2 349.434 2.167 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(CF)cc3)CC2)cn1 ZINC000957378703 1215088677 /nfs/dbraw/zinc/08/86/77/1215088677.db2.gz DBLCCUIAQVFXRP-UHFFFAOYSA-N 1 2 337.398 2.490 20 30 EEEDLO CC[N@@H+](Cc1cnsn1)CC1CCN(C(=O)C#CC2CC2)CC1 ZINC000957713017 1215372564 /nfs/dbraw/zinc/37/25/64/1215372564.db2.gz HFRRKVSZMJPMDL-UHFFFAOYSA-N 1 2 332.473 2.012 20 30 EEEDLO CC[N@H+](Cc1cnsn1)CC1CCN(C(=O)C#CC2CC2)CC1 ZINC000957713017 1215372568 /nfs/dbraw/zinc/37/25/68/1215372568.db2.gz HFRRKVSZMJPMDL-UHFFFAOYSA-N 1 2 332.473 2.012 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cc3occc3s2)[C@H](O)C1 ZINC000958405949 1215701138 /nfs/dbraw/zinc/70/11/38/1215701138.db2.gz XAXIMKSCDKRBEI-GHMZBOCLSA-N 1 2 340.832 2.269 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2cc3occc3s2)[C@H](O)C1 ZINC000958405949 1215701142 /nfs/dbraw/zinc/70/11/42/1215701142.db2.gz XAXIMKSCDKRBEI-GHMZBOCLSA-N 1 2 340.832 2.269 20 30 EEEDLO CCc1noc([C@H](C)[N@H+](C)C[C@H]2CCCN2C(=O)C#CC2CC2)n1 ZINC000960614756 1216737793 /nfs/dbraw/zinc/73/77/93/1216737793.db2.gz CCBHDUMMLRPWID-DZGCQCFKSA-N 1 2 330.432 2.029 20 30 EEEDLO CCc1noc([C@H](C)[N@@H+](C)C[C@H]2CCCN2C(=O)C#CC2CC2)n1 ZINC000960614756 1216737798 /nfs/dbraw/zinc/73/77/98/1216737798.db2.gz CCBHDUMMLRPWID-DZGCQCFKSA-N 1 2 330.432 2.029 20 30 EEEDLO C=CCOc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccon4)C[C@H]32)cc1 ZINC000960625137 1216744889 /nfs/dbraw/zinc/74/48/89/1216744889.db2.gz WPHLNTXHHSPNFL-PIIMJCKOSA-N 1 2 339.395 2.100 20 30 EEEDLO C=CCOc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccon4)C[C@H]32)cc1 ZINC000960625137 1216744894 /nfs/dbraw/zinc/74/48/94/1216744894.db2.gz WPHLNTXHHSPNFL-PIIMJCKOSA-N 1 2 339.395 2.100 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3n2)C1 ZINC001015841815 1225733738 /nfs/dbraw/zinc/73/37/38/1225733738.db2.gz BCTRPASGBCHMOV-AWEZNQCLSA-N 1 2 332.835 2.128 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3n2)C1 ZINC001015841815 1225733745 /nfs/dbraw/zinc/73/37/45/1225733745.db2.gz BCTRPASGBCHMOV-AWEZNQCLSA-N 1 2 332.835 2.128 20 30 EEEDLO C[C@@]1(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)CCCOC1 ZINC001015911939 1225817666 /nfs/dbraw/zinc/81/76/66/1225817666.db2.gz WWNCEKVFLTZELH-AZUAARDMSA-N 1 2 344.430 2.184 20 30 EEEDLO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)CCCOC1 ZINC001015911939 1225817669 /nfs/dbraw/zinc/81/76/69/1225817669.db2.gz WWNCEKVFLTZELH-AZUAARDMSA-N 1 2 344.430 2.184 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC000965032794 1218835950 /nfs/dbraw/zinc/83/59/50/1218835950.db2.gz JUELJRMPDBOKQU-HNAYVOBHSA-N 1 2 346.475 2.062 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C)[nH]1 ZINC000965622329 1219176218 /nfs/dbraw/zinc/17/62/18/1219176218.db2.gz IRDIYGCRGHSTRG-UGSOOPFHSA-N 1 2 337.427 2.230 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3C#N)CC[C@@H]2C)[nH]1 ZINC000965622329 1219176219 /nfs/dbraw/zinc/17/62/19/1219176219.db2.gz IRDIYGCRGHSTRG-UGSOOPFHSA-N 1 2 337.427 2.230 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@@H](C)[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)c(C)o1 ZINC000965898742 1219337947 /nfs/dbraw/zinc/33/79/47/1219337947.db2.gz CIDKINDGXXJEPF-BZNIZROVSA-N 1 2 341.415 2.132 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@@H](C)[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)c(C)o1 ZINC000965898742 1219337949 /nfs/dbraw/zinc/33/79/49/1219337949.db2.gz CIDKINDGXXJEPF-BZNIZROVSA-N 1 2 341.415 2.132 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000965917594 1219356916 /nfs/dbraw/zinc/35/69/16/1219356916.db2.gz XQYBXGNPSPECLK-IFXJQAMLSA-N 1 2 347.422 2.398 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000965917594 1219356920 /nfs/dbraw/zinc/35/69/20/1219356920.db2.gz XQYBXGNPSPECLK-IFXJQAMLSA-N 1 2 347.422 2.398 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cnn(CC2CC2)c1 ZINC001015958620 1225888181 /nfs/dbraw/zinc/88/81/81/1225888181.db2.gz RDLWQYIURZSGFS-HXUWFJFHSA-N 1 2 348.450 2.149 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cnn(CC2CC2)c1 ZINC001015958620 1225888183 /nfs/dbraw/zinc/88/81/83/1225888183.db2.gz RDLWQYIURZSGFS-HXUWFJFHSA-N 1 2 348.450 2.149 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c(C3CC3)cnn2C)C1 ZINC000966570404 1219855259 /nfs/dbraw/zinc/85/52/59/1219855259.db2.gz WTHIOIBYJRFGPI-ABAIWWIYSA-N 1 2 336.867 2.490 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c(C3CC3)cnn2C)C1 ZINC000966570404 1219855264 /nfs/dbraw/zinc/85/52/64/1219855264.db2.gz WTHIOIBYJRFGPI-ABAIWWIYSA-N 1 2 336.867 2.490 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc4ccccc4o3)C2)cn1 ZINC001016028433 1225973766 /nfs/dbraw/zinc/97/37/66/1225973766.db2.gz XXWWTTVMRZBQLU-INIZCTEOSA-N 1 2 346.390 2.208 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc4ccccc4o3)C2)cn1 ZINC001016028433 1225973770 /nfs/dbraw/zinc/97/37/70/1225973770.db2.gz XXWWTTVMRZBQLU-INIZCTEOSA-N 1 2 346.390 2.208 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)cn1 ZINC001016030822 1225975977 /nfs/dbraw/zinc/97/59/77/1225975977.db2.gz LGLJQNZGXJGGGN-GOSISDBHSA-N 1 2 348.381 2.078 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)cn1 ZINC001016030822 1225975980 /nfs/dbraw/zinc/97/59/80/1225975980.db2.gz LGLJQNZGXJGGGN-GOSISDBHSA-N 1 2 348.381 2.078 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)n(C)n3)CC[C@@H]2C)C1 ZINC000968277440 1221172096 /nfs/dbraw/zinc/17/20/96/1221172096.db2.gz ZCWVJMNHZVDOOS-WMLDXEAASA-N 1 2 330.476 2.411 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)n(C)n3)CC[C@@H]2C)C1 ZINC000968277440 1221172097 /nfs/dbraw/zinc/17/20/97/1221172097.db2.gz ZCWVJMNHZVDOOS-WMLDXEAASA-N 1 2 330.476 2.411 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC000968656084 1221468507 /nfs/dbraw/zinc/46/85/07/1221468507.db2.gz WRLPEMIYVKQMNC-PBHICJAKSA-N 1 2 328.460 2.142 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC000968656084 1221468509 /nfs/dbraw/zinc/46/85/09/1221468509.db2.gz WRLPEMIYVKQMNC-PBHICJAKSA-N 1 2 328.460 2.142 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(N(C)C)cn2)C1 ZINC000968693397 1221494754 /nfs/dbraw/zinc/49/47/54/1221494754.db2.gz YYRGXLTZDRKUCD-MLGOLLRUSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(N(C)C)cn2)C1 ZINC000968693397 1221494757 /nfs/dbraw/zinc/49/47/57/1221494757.db2.gz YYRGXLTZDRKUCD-MLGOLLRUSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc3nnn(C)c32)C1 ZINC000968712588 1221509379 /nfs/dbraw/zinc/50/93/79/1221509379.db2.gz ACGBNTDQQJMMIU-XHDPSFHLSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc3nnn(C)c32)C1 ZINC000968712588 1221509381 /nfs/dbraw/zinc/50/93/81/1221509381.db2.gz ACGBNTDQQJMMIU-XHDPSFHLSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(CCC)no2)C1 ZINC000968795029 1221576410 /nfs/dbraw/zinc/57/64/10/1221576410.db2.gz CCIKMYOOBDPNBF-GFCCVEGCSA-N 1 2 340.855 2.491 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([NH2+]Cc2nc(C(C)C)no2)C1 ZINC000968924555 1221675573 /nfs/dbraw/zinc/67/55/73/1221675573.db2.gz PMMHIBLDKJFUGS-CQSZACIVSA-N 1 2 343.431 2.185 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2Cc2ncnn2C)CC1 ZINC000969014211 1221740430 /nfs/dbraw/zinc/74/04/30/1221740430.db2.gz UHDQISCEHMPIOI-QGZVFWFLSA-N 1 2 345.491 2.422 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2Cc2ncnn2C)CC1 ZINC000969014211 1221740432 /nfs/dbraw/zinc/74/04/32/1221740432.db2.gz UHDQISCEHMPIOI-QGZVFWFLSA-N 1 2 345.491 2.422 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)F)C1 ZINC001006552594 1221834555 /nfs/dbraw/zinc/83/45/55/1221834555.db2.gz MDNVWWCYCMDFJL-OAHLLOKOSA-N 1 2 333.407 2.396 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)F)C1 ZINC001006552594 1221834558 /nfs/dbraw/zinc/83/45/58/1221834558.db2.gz MDNVWWCYCMDFJL-OAHLLOKOSA-N 1 2 333.407 2.396 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCCCCCC2=O)C1 ZINC001007462945 1222241944 /nfs/dbraw/zinc/24/19/44/1222241944.db2.gz HTSJWIPEXDOQBK-OAHLLOKOSA-N 1 2 341.883 2.112 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CCCCCCC2=O)C1 ZINC001007462945 1222241947 /nfs/dbraw/zinc/24/19/47/1222241947.db2.gz HTSJWIPEXDOQBK-OAHLLOKOSA-N 1 2 341.883 2.112 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001007529772 1222278815 /nfs/dbraw/zinc/27/88/15/1222278815.db2.gz NPJGXCHNJWQGPE-LZQZEXGQSA-N 1 2 341.455 2.454 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001007529772 1222278817 /nfs/dbraw/zinc/27/88/17/1222278817.db2.gz NPJGXCHNJWQGPE-LZQZEXGQSA-N 1 2 341.455 2.454 20 30 EEEDLO COc1ncccc1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001008374134 1222795858 /nfs/dbraw/zinc/79/58/58/1222795858.db2.gz CVJUMONFUNOALU-SFHVURJKSA-N 1 2 349.434 2.336 20 30 EEEDLO COc1ncccc1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001008374134 1222795859 /nfs/dbraw/zinc/79/58/59/1222795859.db2.gz CVJUMONFUNOALU-SFHVURJKSA-N 1 2 349.434 2.336 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)noc2C(F)(F)F)C1 ZINC001008695383 1222998670 /nfs/dbraw/zinc/99/86/70/1222998670.db2.gz LCEZGMVEVMYUDO-NSHDSACASA-N 1 2 329.322 2.219 20 30 EEEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2c(C)noc2C(F)(F)F)C1 ZINC001008695383 1222998675 /nfs/dbraw/zinc/99/86/75/1222998675.db2.gz LCEZGMVEVMYUDO-NSHDSACASA-N 1 2 329.322 2.219 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001010347996 1223674574 /nfs/dbraw/zinc/67/45/74/1223674574.db2.gz MYAUPEMNQWJISX-MRXNPFEDSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001010347996 1223674576 /nfs/dbraw/zinc/67/45/76/1223674576.db2.gz MYAUPEMNQWJISX-MRXNPFEDSA-N 1 2 343.814 2.492 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1ccncc1F ZINC001010420501 1223712851 /nfs/dbraw/zinc/71/28/51/1223712851.db2.gz ZUOBCCIINUEEFR-INIZCTEOSA-N 1 2 341.361 2.216 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)c1ccncc1F ZINC001010420501 1223712854 /nfs/dbraw/zinc/71/28/54/1223712854.db2.gz ZUOBCCIINUEEFR-INIZCTEOSA-N 1 2 341.361 2.216 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cncc(F)c3)C2)c(F)c1 ZINC001010525885 1223764896 /nfs/dbraw/zinc/76/48/96/1223764896.db2.gz DYMCHCKOFOTEPX-INIZCTEOSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cncc(F)c3)C2)c(F)c1 ZINC001010525885 1223764899 /nfs/dbraw/zinc/76/48/99/1223764899.db2.gz DYMCHCKOFOTEPX-INIZCTEOSA-N 1 2 342.349 2.236 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)co1 ZINC001010692517 1223853146 /nfs/dbraw/zinc/85/31/46/1223853146.db2.gz RRSBUSAYJFXLHP-INIZCTEOSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)co1 ZINC001010692517 1223853148 /nfs/dbraw/zinc/85/31/48/1223853148.db2.gz RRSBUSAYJFXLHP-INIZCTEOSA-N 1 2 343.814 2.492 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001010840219 1223933390 /nfs/dbraw/zinc/93/33/90/1223933390.db2.gz PSSUHCMTTNVZFV-GOSISDBHSA-N 1 2 344.459 2.006 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(NC(=O)Cc3[nH]cc[nH+]3)CCC[C@H]12 ZINC001014440505 1226620444 /nfs/dbraw/zinc/62/04/44/1226620444.db2.gz ZHSIUTXFLZEODO-KYNGSXCRSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2nn(C)c3ccccc23)C1 ZINC001014448463 1226627615 /nfs/dbraw/zinc/62/76/15/1226627615.db2.gz WZCVJSXFFVOOLA-CYBMUJFWSA-N 1 2 332.835 2.059 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2nn(C)c3ccccc23)C1 ZINC001014448463 1226627616 /nfs/dbraw/zinc/62/76/16/1226627616.db2.gz WZCVJSXFFVOOLA-CYBMUJFWSA-N 1 2 332.835 2.059 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001014473339 1226658098 /nfs/dbraw/zinc/65/80/98/1226658098.db2.gz ZHLNRCGBPVETLW-UPJWGTAASA-N 1 2 333.259 2.477 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC001014473339 1226658100 /nfs/dbraw/zinc/65/81/00/1226658100.db2.gz ZHLNRCGBPVETLW-UPJWGTAASA-N 1 2 333.259 2.477 20 30 EEEDLO Cn1cc(Cl)c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001014541658 1226745686 /nfs/dbraw/zinc/74/56/86/1226745686.db2.gz RWMFZLKRDUFXLX-JTQLQIEISA-N 1 2 349.847 2.011 20 30 EEEDLO Cn1cc(Cl)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001014541658 1226745689 /nfs/dbraw/zinc/74/56/89/1226745689.db2.gz RWMFZLKRDUFXLX-JTQLQIEISA-N 1 2 349.847 2.011 20 30 EEEDLO CC(C)n1nccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001014553982 1226764622 /nfs/dbraw/zinc/76/46/22/1226764622.db2.gz RJQZGEQEQGGHME-ZDUSSCGKSA-N 1 2 343.456 2.401 20 30 EEEDLO CC(C)n1nccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001014553982 1226764626 /nfs/dbraw/zinc/76/46/26/1226764626.db2.gz RJQZGEQEQGGHME-ZDUSSCGKSA-N 1 2 343.456 2.401 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC23CC[NH+](Cc2nc(C)no2)CC3)C1 ZINC001016812146 1226896373 /nfs/dbraw/zinc/89/63/73/1226896373.db2.gz JHLAMUSLTWQVGZ-CQSZACIVSA-N 1 2 330.432 2.205 20 30 EEEDLO Cc1cc(N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)nc(C(C)C)[nH+]1 ZINC001058321178 1248861524 /nfs/dbraw/zinc/86/15/24/1248861524.db2.gz TVTNORZDKXRHAS-AWEZNQCLSA-N 1 2 338.415 2.117 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001018909044 1228513872 /nfs/dbraw/zinc/51/38/72/1228513872.db2.gz IJXAWPTXSOLEIO-NSHDSACASA-N 1 2 326.828 2.101 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc3n(n2)CCCC3)c1 ZINC001038382658 1229781711 /nfs/dbraw/zinc/78/17/11/1229781711.db2.gz NMHYFDAXUUUXBB-GOSISDBHSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc3n(n2)CCCC3)c1 ZINC001038382658 1229781713 /nfs/dbraw/zinc/78/17/13/1229781713.db2.gz NMHYFDAXUUUXBB-GOSISDBHSA-N 1 2 349.438 2.095 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccnc(N(C)C)c2)cc1 ZINC001038577615 1229925092 /nfs/dbraw/zinc/92/50/92/1229925092.db2.gz BCPIOJWIQBXPPE-IBGZPJMESA-N 1 2 348.450 2.133 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccnc(N(C)C)c2)cc1 ZINC001038577615 1229925095 /nfs/dbraw/zinc/92/50/95/1229925095.db2.gz BCPIOJWIQBXPPE-IBGZPJMESA-N 1 2 348.450 2.133 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1Cc2ccncc2C1 ZINC001038703055 1229985487 /nfs/dbraw/zinc/98/54/87/1229985487.db2.gz HZLGATMKHYLSFD-TZIWHRDSSA-N 1 2 345.446 2.039 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1Cc2ccncc2C1 ZINC001038703055 1229985490 /nfs/dbraw/zinc/98/54/90/1229985490.db2.gz HZLGATMKHYLSFD-TZIWHRDSSA-N 1 2 345.446 2.039 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ocnc2C2CC2)c1 ZINC001038704868 1229986941 /nfs/dbraw/zinc/98/69/41/1229986941.db2.gz GMHYEEJARCCJJP-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ocnc2C2CC2)c1 ZINC001038704868 1229986945 /nfs/dbraw/zinc/98/69/45/1229986945.db2.gz GMHYEEJARCCJJP-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)c(F)c1 ZINC001038708431 1229989314 /nfs/dbraw/zinc/98/93/14/1229989314.db2.gz PMMVDEBJRAHFHR-UXLLHSPISA-N 1 2 348.418 2.116 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)c(F)c1 ZINC001038708431 1229989316 /nfs/dbraw/zinc/98/93/16/1229989316.db2.gz PMMVDEBJRAHFHR-UXLLHSPISA-N 1 2 348.418 2.116 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)c1ccc2c(c1)CCO2 ZINC001038734094 1230006127 /nfs/dbraw/zinc/00/61/27/1230006127.db2.gz DIVSNEGBIZUQGF-FQEVSTJZSA-N 1 2 346.430 2.477 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)c1ccc2c(c1)CCO2 ZINC001038734094 1230006133 /nfs/dbraw/zinc/00/61/33/1230006133.db2.gz DIVSNEGBIZUQGF-FQEVSTJZSA-N 1 2 346.430 2.477 20 30 EEEDLO C#CCOc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccn2)cc1 ZINC001038779167 1230048415 /nfs/dbraw/zinc/04/84/15/1230048415.db2.gz RXLDFHJEPANOOJ-SFHVURJKSA-N 1 2 335.407 2.098 20 30 EEEDLO C#CCOc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccn2)cc1 ZINC001038779167 1230048420 /nfs/dbraw/zinc/04/84/20/1230048420.db2.gz RXLDFHJEPANOOJ-SFHVURJKSA-N 1 2 335.407 2.098 20 30 EEEDLO N#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039211173 1230437976 /nfs/dbraw/zinc/43/79/76/1230437976.db2.gz DIGBUHHKUIUSNJ-KBXCAEBGSA-N 1 2 337.427 2.403 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2cncn2C1 ZINC001039396353 1230578703 /nfs/dbraw/zinc/57/87/03/1230578703.db2.gz MCPUPOSMJDLNKQ-INMHGKMJSA-N 1 2 348.878 2.263 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2cncn2C1 ZINC001039396353 1230578706 /nfs/dbraw/zinc/57/87/06/1230578706.db2.gz MCPUPOSMJDLNKQ-INMHGKMJSA-N 1 2 348.878 2.263 20 30 EEEDLO Cc1cc(NC[C@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)nc(C(C)C)[nH+]1 ZINC001041481371 1231562003 /nfs/dbraw/zinc/56/20/03/1231562003.db2.gz GVXAVNFTRJPZFH-ZFWWWQNUSA-N 1 2 345.447 2.098 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H](Nc3cc[nH+]c(C)n3)C23CCC3)nc1 ZINC001041593872 1231614309 /nfs/dbraw/zinc/61/43/09/1231614309.db2.gz CGRHQDAABFKYLL-DLBZAZTESA-N 1 2 347.422 2.314 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(CC[N@H+](Cc3nc(C)no3)C2)C1 ZINC001041626079 1231629718 /nfs/dbraw/zinc/62/97/18/1231629718.db2.gz PCRXVDUKAKRKOZ-ZWKOTPCHSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3nc(C)no3)C2)C1 ZINC001041626079 1231629720 /nfs/dbraw/zinc/62/97/20/1231629720.db2.gz PCRXVDUKAKRKOZ-ZWKOTPCHSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]cc4ncnc3-4)C[C@H]21 ZINC001042067466 1231865404 /nfs/dbraw/zinc/86/54/04/1231865404.db2.gz QERKPOLLPSCGJM-IUODEOHRSA-N 1 2 345.834 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]cc4ncnc3-4)C[C@H]21 ZINC001042067466 1231865407 /nfs/dbraw/zinc/86/54/07/1231865407.db2.gz QERKPOLLPSCGJM-IUODEOHRSA-N 1 2 345.834 2.247 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nccc(C)n3)[C@@H]2C1 ZINC001042187828 1231945063 /nfs/dbraw/zinc/94/50/63/1231945063.db2.gz OMNXAAAQSSMRAU-HZPDHXFCSA-N 1 2 328.460 2.420 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nccc(C)n3)[C@@H]2C1 ZINC001042187828 1231945067 /nfs/dbraw/zinc/94/50/67/1231945067.db2.gz OMNXAAAQSSMRAU-HZPDHXFCSA-N 1 2 328.460 2.420 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@@H](OC)c3ccccc3)C2)cn1 ZINC001044204691 1232786904 /nfs/dbraw/zinc/78/69/04/1232786904.db2.gz BWRGTHWPCSGLPF-HXUWFJFHSA-N 1 2 349.434 2.207 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CCCN(c3cc[nH+]c(C)n3)CC2)cn1 ZINC001067600769 1249301065 /nfs/dbraw/zinc/30/10/65/1249301065.db2.gz SIYUYRKFGGLOJT-SFHVURJKSA-N 1 2 349.438 2.292 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H](C)CO2)CC1 ZINC001045508546 1233786032 /nfs/dbraw/zinc/78/60/32/1233786032.db2.gz OJNAYHLWIKOPOX-AAEUAGOBSA-N 1 2 345.281 2.291 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nccs2)c1 ZINC001045748023 1233944531 /nfs/dbraw/zinc/94/45/31/1233944531.db2.gz WALXNRAGVSNBMX-KGLIPLIRSA-N 1 2 341.440 2.222 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2nccs2)c1 ZINC001045748023 1233944535 /nfs/dbraw/zinc/94/45/35/1233944535.db2.gz WALXNRAGVSNBMX-KGLIPLIRSA-N 1 2 341.440 2.222 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001046240845 1234585967 /nfs/dbraw/zinc/58/59/67/1234585967.db2.gz VCLSGCGZFOBAFL-SFHVURJKSA-N 1 2 340.431 2.058 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001046240845 1234585969 /nfs/dbraw/zinc/58/59/69/1234585969.db2.gz VCLSGCGZFOBAFL-SFHVURJKSA-N 1 2 340.431 2.058 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cn3c(n2)C[C@@H](C)CC3)C1 ZINC001046418077 1234780387 /nfs/dbraw/zinc/78/03/87/1234780387.db2.gz NDRGBJVUCPXKJM-SJCJKPOMSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cn3c(n2)C[C@@H](C)CC3)C1 ZINC001046418077 1234780389 /nfs/dbraw/zinc/78/03/89/1234780389.db2.gz NDRGBJVUCPXKJM-SJCJKPOMSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001046419232 1234781449 /nfs/dbraw/zinc/78/14/49/1234781449.db2.gz VAOHRMOQFHVSOZ-YOEHRIQHSA-N 1 2 336.867 2.087 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001046419232 1234781452 /nfs/dbraw/zinc/78/14/52/1234781452.db2.gz VAOHRMOQFHVSOZ-YOEHRIQHSA-N 1 2 336.867 2.087 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)c2ccn(C)c2C)C1 ZINC001046603145 1234985669 /nfs/dbraw/zinc/98/56/69/1234985669.db2.gz VDYOFINJRMOQPM-OAHLLOKOSA-N 1 2 340.265 2.436 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccn(C)c2C)C1 ZINC001046603145 1234985672 /nfs/dbraw/zinc/98/56/72/1234985672.db2.gz VDYOFINJRMOQPM-OAHLLOKOSA-N 1 2 340.265 2.436 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)c3ncc(C)o3)C2)cn1 ZINC001046782229 1235180143 /nfs/dbraw/zinc/18/01/43/1235180143.db2.gz WKVQSWGGQOYWIJ-IFXJQAMLSA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)c3ncc(C)o3)C2)cn1 ZINC001046782229 1235180144 /nfs/dbraw/zinc/18/01/44/1235180144.db2.gz WKVQSWGGQOYWIJ-IFXJQAMLSA-N 1 2 338.411 2.315 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)c2c[nH]cc2C)C1 ZINC001046836211 1235234640 /nfs/dbraw/zinc/23/46/40/1235234640.db2.gz RYMKVPTVRMMWKX-AWEZNQCLSA-N 1 2 326.238 2.426 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)c2c[nH]cc2C)C1 ZINC001046836211 1235234644 /nfs/dbraw/zinc/23/46/44/1235234644.db2.gz RYMKVPTVRMMWKX-AWEZNQCLSA-N 1 2 326.238 2.426 20 30 EEEDLO 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C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C(C)(C)C(F)(F)F)C2)CC1 ZINC001052109706 1246489897 /nfs/dbraw/zinc/48/98/97/1246489897.db2.gz HKTIUSJHIPTZFJ-CQSZACIVSA-N 1 2 347.425 2.370 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C34CCC(CC3)CC4)C2)CC1 ZINC001052118534 1246503473 /nfs/dbraw/zinc/50/34/73/1246503473.db2.gz QIQQPISFUDRZSR-SCCNAQOGSA-N 1 2 343.515 2.199 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccoc3C(C)C)C2)CC1 ZINC001052122224 1246508103 /nfs/dbraw/zinc/50/81/03/1246508103.db2.gz PEIDENSDXPSFJY-MRXNPFEDSA-N 1 2 331.460 2.421 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)C2)CC1 ZINC001052122052 1246508530 /nfs/dbraw/zinc/50/85/30/1246508530.db2.gz LOELGGXWAYJXEX-WMDIELAYSA-N 1 2 343.515 2.073 20 30 EEEDLO CC1=C(C)C[C@@](C)(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)CC1 ZINC001052123732 1246510561 /nfs/dbraw/zinc/51/05/61/1246510561.db2.gz OISNQERYPNTRIR-QUCCMNQESA-N 1 2 344.503 2.255 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C(C)C)s3)C2)CC1 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337.423 2.125 20 30 EEEDLO C[C@H](CC1CCCC1)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070696511 1253726199 /nfs/dbraw/zinc/72/61/99/1253726199.db2.gz WNBMKCJOMFBFTB-DJIMGWMZSA-N 1 2 343.475 2.044 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cccnc1)C[C@H](C)O2 ZINC001071123870 1253969822 /nfs/dbraw/zinc/96/98/22/1253969822.db2.gz HJFOAYFSBVRBLL-WMLDXEAASA-N 1 2 335.835 2.140 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccnc1)C[C@H](C)O2 ZINC001071123870 1253969846 /nfs/dbraw/zinc/96/98/46/1253969846.db2.gz HJFOAYFSBVRBLL-WMLDXEAASA-N 1 2 335.835 2.140 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)c2csnn2)C[N@@H+]1CC#Cc1ccccc1 ZINC001071711569 1254543945 /nfs/dbraw/zinc/54/39/45/1254543945.db2.gz AKAGEJBQQYAAPB-HOCLYGCPSA-N 1 2 340.452 2.173 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)c2csnn2)C[N@H+]1CC#Cc1ccccc1 ZINC001071711569 1254543956 /nfs/dbraw/zinc/54/39/56/1254543956.db2.gz AKAGEJBQQYAAPB-HOCLYGCPSA-N 1 2 340.452 2.173 20 30 EEEDLO 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1255510345 /nfs/dbraw/zinc/51/03/45/1255510345.db2.gz IBBICDRNLSCVHH-SFHVURJKSA-N 1 2 345.491 2.243 20 30 EEEDLO C=CCC(CC=C)C(=O)NC1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001073127399 1255708726 /nfs/dbraw/zinc/70/87/26/1255708726.db2.gz NMYBFUPCBUGLRQ-UHFFFAOYSA-N 1 2 344.459 2.149 20 30 EEEDLO C=C(C)C[N@@H+]1CCn2c(nnc2C2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)C1 ZINC001074106071 1256717676 /nfs/dbraw/zinc/71/76/76/1256717676.db2.gz PXCBAQFAGCPPNG-GDBMZVCRSA-N 1 2 343.475 2.032 20 30 EEEDLO C=C(C)C[N@H+]1CCn2c(nnc2C2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)C1 ZINC001074106071 1256717681 /nfs/dbraw/zinc/71/76/81/1256717681.db2.gz PXCBAQFAGCPPNG-GDBMZVCRSA-N 1 2 343.475 2.032 20 30 EEEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3occ4c3CCC4)C[C@H]21 ZINC001074304790 1256897460 /nfs/dbraw/zinc/89/74/60/1256897460.db2.gz QJZJDJDQEVUDNH-IAGOWNOFSA-N 1 2 330.428 2.260 20 30 EEEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3occ4c3CCC4)C[C@H]21 ZINC001074304790 1256897475 /nfs/dbraw/zinc/89/74/75/1256897475.db2.gz 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C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C1CC(OC)C1 ZINC001153932878 1316918924 /nfs/dbraw/zinc/91/89/24/1316918924.db2.gz GAZXETTVFGFDDN-PNESKVBLSA-N 1 2 333.270 2.147 20 30 EEEDLO CC(C)(C)OC(=O)NCC1C[NH+](Cc2cnn3ccc(C#N)cc23)C1 ZINC001249086716 1317001541 /nfs/dbraw/zinc/00/15/41/1317001541.db2.gz OCVRJHZXSKQRAL-UHFFFAOYSA-N 1 2 341.415 2.162 20 30 EEEDLO C=CCOC(=O)N1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254610134 1318144764 /nfs/dbraw/zinc/14/47/64/1318144764.db2.gz IIZVAUPKIPERFS-INIZCTEOSA-N 1 2 331.372 2.002 20 30 EEEDLO CC(=O)Nc1ccc(NC(=O)c2ccc3[nH+]c(N)[nH]c3c2)cc1C#N ZINC001156971714 1318317981 /nfs/dbraw/zinc/31/79/81/1318317981.db2.gz OSTRIMDWOKDBRE-UHFFFAOYSA-N 1 2 334.339 2.227 20 30 EEEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cn(C(C)C)nn1 ZINC001157885211 1318916077 /nfs/dbraw/zinc/91/60/77/1318916077.db2.gz RYYCTHPBCOKTGD-GOSISDBHSA-N 1 2 345.491 2.475 20 30 EEEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cn(C(C)C)nn1 ZINC001157885211 1318916078 /nfs/dbraw/zinc/91/60/78/1318916078.db2.gz RYYCTHPBCOKTGD-GOSISDBHSA-N 1 2 345.491 2.475 20 30 EEEDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc([C@H](C#N)c2ccccc2F)nn1 ZINC001158706870 1319389307 /nfs/dbraw/zinc/38/93/07/1319389307.db2.gz DYHIHUKJSFLHGF-DZGCQCFKSA-N 1 2 341.390 2.014 20 30 EEEDLO C[N@H+]1CCOC[C@@H]1CNc1ccc([C@H](C#N)c2ccccc2F)nn1 ZINC001158706870 1319389315 /nfs/dbraw/zinc/38/93/15/1319389315.db2.gz DYHIHUKJSFLHGF-DZGCQCFKSA-N 1 2 341.390 2.014 20 30 EEEDLO N#CCSCC(=O)NCCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001159332558 1319744249 /nfs/dbraw/zinc/74/42/49/1319744249.db2.gz DKKXYJUVQOLBKX-UHFFFAOYSA-N 1 2 336.486 2.038 20 30 EEEDLO N#CCSCC(=O)NCCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001159332558 1319744256 /nfs/dbraw/zinc/74/42/56/1319744256.db2.gz DKKXYJUVQOLBKX-UHFFFAOYSA-N 1 2 336.486 2.038 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)[C@@H](C)OC)CC1 ZINC001159452102 1319809296 /nfs/dbraw/zinc/80/92/96/1319809296.db2.gz INJFAEFUIPIHQG-GFCCVEGCSA-N 1 2 331.254 2.068 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C)OC)CC1 ZINC001159452102 1319809303 /nfs/dbraw/zinc/80/93/03/1319809303.db2.gz INJFAEFUIPIHQG-GFCCVEGCSA-N 1 2 331.254 2.068 20 30 EEEDLO C[C@@H](C#N)C(=O)NCCC1=CC[N@H+](Cc2coc(C3CC3)n2)CC1 ZINC001159587678 1319902699 /nfs/dbraw/zinc/90/26/99/1319902699.db2.gz WMYHGUDOCVHHQH-ZDUSSCGKSA-N 1 2 328.416 2.350 20 30 EEEDLO C[C@@H](C#N)C(=O)NCCC1=CC[N@@H+](Cc2coc(C3CC3)n2)CC1 ZINC001159587678 1319902703 /nfs/dbraw/zinc/90/27/03/1319902703.db2.gz WMYHGUDOCVHHQH-ZDUSSCGKSA-N 1 2 328.416 2.350 20 30 EEEDLO N#Cc1cc(C(=O)NCCC2=CC[N@H+](Cc3nccs3)CC2)c[nH]1 ZINC001159872459 1320010001 /nfs/dbraw/zinc/01/00/01/1320010001.db2.gz ZVRYMTVMUMVAPP-UHFFFAOYSA-N 1 2 341.440 2.295 20 30 EEEDLO N#Cc1cc(C(=O)NCCC2=CC[N@@H+](Cc3nccs3)CC2)c[nH]1 ZINC001159872459 1320010003 /nfs/dbraw/zinc/01/00/03/1320010003.db2.gz ZVRYMTVMUMVAPP-UHFFFAOYSA-N 1 2 341.440 2.295 20 30 EEEDLO C#CCOCCC(=O)NCCC1=CC[N@H+](C/C(Cl)=C/Cl)CC1 ZINC001160112167 1320072906 /nfs/dbraw/zinc/07/29/06/1320072906.db2.gz JWLFNSQFVPLBKG-QINSGFPZSA-N 1 2 345.270 2.484 20 30 EEEDLO C#CCOCCC(=O)NCCC1=CC[N@@H+](C/C(Cl)=C/Cl)CC1 ZINC001160112167 1320072909 /nfs/dbraw/zinc/07/29/09/1320072909.db2.gz JWLFNSQFVPLBKG-QINSGFPZSA-N 1 2 345.270 2.484 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NCCC[NH2+]Cc1noc(C(C)C)n1 ZINC001163339546 1321101245 /nfs/dbraw/zinc/10/12/45/1321101245.db2.gz RPWIYZNSMYIHNN-KRWDZBQOSA-N 1 2 338.452 2.018 20 30 EEEDLO N#Cc1ccc2cc[nH+]c(N3CC[C@H](N4CCOCC4)[C@@H](F)C3)c2c1 ZINC001165209065 1321473039 /nfs/dbraw/zinc/47/30/39/1321473039.db2.gz CEYMVNDFHWUDHC-ROUUACIJSA-N 1 2 340.402 2.355 20 30 EEEDLO N#CCc1cc[nH+]c(N2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)c1 ZINC001166161929 1321667145 /nfs/dbraw/zinc/66/71/45/1321667145.db2.gz XRCUENOVHJDTAL-MJGOQNOKSA-N 1 2 336.395 2.359 20 30 EEEDLO CC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)C12CCC2 ZINC001203248393 1321852198 /nfs/dbraw/zinc/85/21/98/1321852198.db2.gz HPRPOWAHHNQZDF-DLBZAZTESA-N 1 2 349.438 2.126 20 30 EEEDLO N#Cc1nccnc1N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203663997 1321935475 /nfs/dbraw/zinc/93/54/75/1321935475.db2.gz KOPOLYUPUJZVKQ-UHFFFAOYSA-N 1 2 329.791 2.029 20 30 EEEDLO N#Cc1cc(C[NH+]2CCN(c3ccc(Cl)nn3)CC2)ccc1F ZINC001205496514 1323162584 /nfs/dbraw/zinc/16/25/84/1323162584.db2.gz AUBPOXDLUKDQHP-UHFFFAOYSA-N 1 2 331.782 2.463 20 30 EEEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1nnc(C)c(C)c1C#N ZINC001206481933 1323507671 /nfs/dbraw/zinc/50/76/71/1323507671.db2.gz BVQOAMBOJLEQCK-UHFFFAOYSA-N 1 2 338.411 2.473 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)on2)C[C@H]1C ZINC001206915619 1323699531 /nfs/dbraw/zinc/69/95/31/1323699531.db2.gz FHDRTILUASUXRH-ZXYWRSMDSA-N 1 2 349.475 2.236 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)on2)C[C@H]1C ZINC001206915619 1323699533 /nfs/dbraw/zinc/69/95/33/1323699533.db2.gz FHDRTILUASUXRH-ZXYWRSMDSA-N 1 2 349.475 2.236 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC001207654080 1324071774 /nfs/dbraw/zinc/07/17/74/1324071774.db2.gz NTVUTUADCMYVTA-INIZCTEOSA-N 1 2 339.443 2.314 20 30 EEEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2CC[N@@H+]3Cc2cnc3ccccc3n2)CCC1 ZINC001280186092 1324106908 /nfs/dbraw/zinc/10/69/08/1324106908.db2.gz LDOWRVZHJGAVMB-VBKZILBWSA-N 1 2 347.422 2.157 20 30 EEEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2CC[N@H+]3Cc2cnc3ccccc3n2)CCC1 ZINC001280186092 1324106911 /nfs/dbraw/zinc/10/69/11/1324106911.db2.gz LDOWRVZHJGAVMB-VBKZILBWSA-N 1 2 347.422 2.157 20 30 EEEDLO COc1ccccc1-c1nnc(CO[NH+]=C(N)Cc2cccnc2)o1 ZINC000089506480 1324514233 /nfs/dbraw/zinc/51/42/33/1324514233.db2.gz PEAUBSLVVSCYLN-UHFFFAOYSA-N 1 2 339.355 2.172 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CF)CCC2)C1 ZINC001208773985 1324661240 /nfs/dbraw/zinc/66/12/40/1324661240.db2.gz RAQAGLGSBCGHQZ-ZYHUDNBSSA-N 1 2 333.245 2.471 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(CF)CCC2)C1 ZINC001208773985 1324661244 /nfs/dbraw/zinc/66/12/44/1324661244.db2.gz RAQAGLGSBCGHQZ-ZYHUDNBSSA-N 1 2 333.245 2.471 20 30 EEEDLO C=CCC1(C(=O)N2CCC[C@H]([NH2+]Cc3nc(COC)no3)C2)CCC1 ZINC001209503660 1324950335 /nfs/dbraw/zinc/95/03/35/1324950335.db2.gz LAIOZIQUQMEQHQ-AWEZNQCLSA-N 1 2 348.447 2.043 20 30 EEEDLO C[N@H+](CCNC(=O)c1c[nH]nc1-c1ccoc1)Cc1ccccc1C#N ZINC001492352814 1331180109 /nfs/dbraw/zinc/18/01/09/1331180109.db2.gz QWCTZADFAKADLN-UHFFFAOYSA-N 1 2 349.394 2.403 20 30 EEEDLO C[N@@H+](CCNC(=O)c1c[nH]nc1-c1ccoc1)Cc1ccccc1C#N ZINC001492352814 1331180115 /nfs/dbraw/zinc/18/01/15/1331180115.db2.gz QWCTZADFAKADLN-UHFFFAOYSA-N 1 2 349.394 2.403 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)CC1=CCCOC1 ZINC001339528294 1331636923 /nfs/dbraw/zinc/63/69/23/1331636923.db2.gz IJBOQCANYCONQY-INIZCTEOSA-N 1 2 331.464 2.404 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)CC1=CCCOC1 ZINC001339528294 1331636924 /nfs/dbraw/zinc/63/69/24/1331636924.db2.gz IJBOQCANYCONQY-INIZCTEOSA-N 1 2 331.464 2.404 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@@H+]([C@@H](C)c2nnc(C)[nH]2)C3)cc1 ZINC001313441785 1331803533 /nfs/dbraw/zinc/80/35/33/1331803533.db2.gz YNDOFSWELCLNDS-AWEZNQCLSA-N 1 2 349.438 2.004 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+]([C@@H](C)c2nnc(C)[nH]2)C3)cc1 ZINC001313441785 1331803537 /nfs/dbraw/zinc/80/35/37/1331803537.db2.gz YNDOFSWELCLNDS-AWEZNQCLSA-N 1 2 349.438 2.004 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001322872197 1333345988 /nfs/dbraw/zinc/34/59/88/1333345988.db2.gz NKDXGVYEFMHVPX-UHFFFAOYSA-N 1 2 343.471 2.408 20 30 EEEDLO C=CCN(CC=C)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1CC=C ZINC001339485890 1337013294 /nfs/dbraw/zinc/01/32/94/1337013294.db2.gz NPQSHOLQZVXTCB-MRXNPFEDSA-N 1 2 331.464 2.424 20 30 EEEDLO C=CCN(CC=C)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1CC=C ZINC001339485890 1337013296 /nfs/dbraw/zinc/01/32/96/1337013296.db2.gz NPQSHOLQZVXTCB-MRXNPFEDSA-N 1 2 331.464 2.424 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)C[C@H](C)CC ZINC001340450491 1337187030 /nfs/dbraw/zinc/18/70/30/1337187030.db2.gz PHOMBQHNVNFVGL-OAHLLOKOSA-N 1 2 335.496 2.151 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001351656407 1337834525 /nfs/dbraw/zinc/83/45/25/1337834525.db2.gz GCOGASGIXUDGHL-HNNXBMFYSA-N 1 2 333.480 2.454 20 30 EEEDLO C=CCNC(=S)NCCSCc1csc(C[NH+](C)C)n1 ZINC001200297749 1338232320 /nfs/dbraw/zinc/23/23/20/1338232320.db2.gz XGCWKRBEVITLFZ-UHFFFAOYSA-N 1 2 330.548 2.088 20 30 EEEDLO N#CCOc1cccc(CNC(=O)c2cc(-n3cc[nH+]c3)ccc2O)c1 ZINC001617232816 1352338560 /nfs/dbraw/zinc/33/85/60/1352338560.db2.gz JNRSVKVQGGANQY-UHFFFAOYSA-N 1 2 348.362 2.410 20 30 EEEDLO Cc1[nH]c(CNC(=O)CCCC(=O)Nc2ccccc2C#N)[nH+]c1C ZINC001433782442 1341687696 /nfs/dbraw/zinc/68/76/96/1341687696.db2.gz YYQHBQGZHSDAKF-UHFFFAOYSA-N 1 2 339.399 2.323 20 30 EEEDLO C[N@H+](CCNC(=O)c1csc2cncn21)Cc1ccccc1C#N ZINC001567307080 1342737306 /nfs/dbraw/zinc/73/73/06/1342737306.db2.gz MXNSANFMZRZZNZ-UHFFFAOYSA-N 1 2 339.424 2.129 20 30 EEEDLO C[N@@H+](CCNC(=O)c1csc2cncn21)Cc1ccccc1C#N ZINC001567307080 1342737311 /nfs/dbraw/zinc/73/73/11/1342737311.db2.gz MXNSANFMZRZZNZ-UHFFFAOYSA-N 1 2 339.424 2.129 20 30 EEEDLO C[C@@H](O[NH+]=C(N)c1ccc(F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC001603709781 1350747614 /nfs/dbraw/zinc/74/76/14/1350747614.db2.gz GPBSPNWCGBVBAK-SNVBAGLBSA-N 1 2 326.335 2.404 20 30 EEEDLO CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(CC#N)CC1 ZINC001650315015 1353845919 /nfs/dbraw/zinc/84/59/19/1353845919.db2.gz SIBZCLLJLIJHPJ-MRXNPFEDSA-N 1 2 346.479 2.210 20 30 EEEDLO CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(CC#N)CC1 ZINC001650315015 1353845922 /nfs/dbraw/zinc/84/59/22/1353845922.db2.gz SIBZCLLJLIJHPJ-MRXNPFEDSA-N 1 2 346.479 2.210 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC001665567171 1355326163 /nfs/dbraw/zinc/32/61/63/1355326163.db2.gz MKKPZXCYNZLZNO-HZPDHXFCSA-N 1 2 347.459 2.031 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC001665567171 1355326168 /nfs/dbraw/zinc/32/61/68/1355326168.db2.gz MKKPZXCYNZLZNO-HZPDHXFCSA-N 1 2 347.459 2.031 20 30 EEEDLO 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C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2occc2C(C)C)CC1 ZINC001196910015 1368607817 /nfs/dbraw/zinc/60/78/17/1368607817.db2.gz JKQGZADKGCWLBI-HNNXBMFYSA-N 1 2 347.459 2.242 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2occc2C(C)C)CC1 ZINC001196910015 1368607824 /nfs/dbraw/zinc/60/78/24/1368607824.db2.gz JKQGZADKGCWLBI-HNNXBMFYSA-N 1 2 347.459 2.242 20 30 EEEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)c1ccc(C#N)[nH]1 ZINC001199681127 1368694066 /nfs/dbraw/zinc/69/40/66/1368694066.db2.gz YSTOLTNPVFUGSE-UHFFFAOYSA-N 1 2 336.355 2.290 20 30 EEEDLO C[C@H](c1cnccn1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110544031 1368704459 /nfs/dbraw/zinc/70/44/59/1368704459.db2.gz SPEBQNZTRVEAKP-ANQUJSFKSA-N 1 2 326.444 2.309 20 30 EEEDLO C[C@H](c1cnccn1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110544031 1368704464 /nfs/dbraw/zinc/70/44/64/1368704464.db2.gz SPEBQNZTRVEAKP-ANQUJSFKSA-N 1 2 326.444 2.309 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@H]1COCCN1c1cc(CC)[nH+]c(C)n1 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C=CC[N@H+](CC(=O)OCC)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823408650 787740872 /nfs/dbraw/zinc/74/08/72/787740872.db2.gz PAZNHEGLOYCZMC-RDTXWAMCSA-N 1 2 338.448 2.295 20 30 EEEDLO CC#CCCCC(=O)N1CCCC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001062311376 787842255 /nfs/dbraw/zinc/84/22/55/787842255.db2.gz SAKXORPHZXIDFY-MRXNPFEDSA-N 1 2 344.459 2.033 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3cnccc3c2)[C@@H](O)C1 ZINC001090710339 787881989 /nfs/dbraw/zinc/88/19/89/787881989.db2.gz TZQYQGOICKMRDG-IRXDYDNUSA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3cnccc3c2)[C@@H](O)C1 ZINC001090710339 787882000 /nfs/dbraw/zinc/88/20/00/787882000.db2.gz TZQYQGOICKMRDG-IRXDYDNUSA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3c(C)cccn3c2)[C@@H](O)C1 ZINC001090725979 787926010 /nfs/dbraw/zinc/92/60/10/787926010.db2.gz SNCMNSDSZLEXGB-RDJZCZTQSA-N 1 2 347.846 2.165 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3c(C)cccn3c2)[C@@H](O)C1 ZINC001090725979 787926015 /nfs/dbraw/zinc/92/60/15/787926015.db2.gz SNCMNSDSZLEXGB-RDJZCZTQSA-N 1 2 347.846 2.165 20 30 EEEDLO C=CCC(CC=C)C(=O)NC[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001062363981 787968965 /nfs/dbraw/zinc/96/89/65/787968965.db2.gz AFLOFWMXIJUYTM-QGZVFWFLSA-N 1 2 344.459 2.218 20 30 EEEDLO CC[C@H](SC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032359074 788235352 /nfs/dbraw/zinc/23/53/52/788235352.db2.gz QHFWBAYOXBUUQQ-ULQDDVLXSA-N 1 2 329.469 2.485 20 30 EEEDLO CC[C@H](SC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032359074 788235357 /nfs/dbraw/zinc/23/53/57/788235357.db2.gz QHFWBAYOXBUUQQ-ULQDDVLXSA-N 1 2 329.469 2.485 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@H](O)C1 ZINC001090841120 788539110 /nfs/dbraw/zinc/53/91/10/788539110.db2.gz KGNBBBBEIDWKCC-CHWSQXEVSA-N 1 2 328.884 2.363 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@H](O)C1 ZINC001090841120 788539116 /nfs/dbraw/zinc/53/91/16/788539116.db2.gz 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/nfs/dbraw/zinc/19/78/03/801197803.db2.gz HAMPFOODHCRZRF-IBGZPJMESA-N 1 2 334.423 2.113 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2cc(C)ncn2)cc1 ZINC001085757394 801197807 /nfs/dbraw/zinc/19/78/07/801197807.db2.gz HAMPFOODHCRZRF-IBGZPJMESA-N 1 2 334.423 2.113 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001066335991 801554302 /nfs/dbraw/zinc/55/43/02/801554302.db2.gz BEAWWYVVPIPTHL-JKSUJKDBSA-N 1 2 346.475 2.062 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001066335989 801554425 /nfs/dbraw/zinc/55/44/25/801554425.db2.gz BEAWWYVVPIPTHL-HOTGVXAUSA-N 1 2 346.475 2.062 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2ccc3cnccc3c2)C1 ZINC001108069020 801597977 /nfs/dbraw/zinc/59/79/77/801597977.db2.gz XWRJUGIMOBHANP-FQEVSTJZSA-N 1 2 339.439 2.170 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2ccc3cnccc3c2)C1 ZINC001108069020 801597984 /nfs/dbraw/zinc/59/79/84/801597984.db2.gz XWRJUGIMOBHANP-FQEVSTJZSA-N 1 2 339.439 2.170 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C2CC2)CC1 ZINC001183676160 801691807 /nfs/dbraw/zinc/69/18/07/801691807.db2.gz DWRVBGPGCUNOPN-OAHLLOKOSA-N 1 2 337.464 2.010 20 30 EEEDLO CC(=O)[C@H](C)CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001184346101 801996187 /nfs/dbraw/zinc/99/61/87/801996187.db2.gz ZCJGBSUSNYWUOA-OAHLLOKOSA-N 1 2 327.428 2.276 20 30 EEEDLO CCCc1n[nH]cc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004479946 802184423 /nfs/dbraw/zinc/18/44/23/802184423.db2.gz HDQVLPYGBUXIMK-KRWDZBQOSA-N 1 2 329.448 2.202 20 30 EEEDLO CCCc1n[nH]cc1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004479946 802184430 /nfs/dbraw/zinc/18/44/30/802184430.db2.gz HDQVLPYGBUXIMK-KRWDZBQOSA-N 1 2 329.448 2.202 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001108076017 802273325 /nfs/dbraw/zinc/27/33/25/802273325.db2.gz HFRDTRPMKSCGDE-PKOBYXMFSA-N 1 2 332.419 2.249 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001108076017 802273331 /nfs/dbraw/zinc/27/33/31/802273331.db2.gz HFRDTRPMKSCGDE-PKOBYXMFSA-N 1 2 332.419 2.249 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001185071542 802335816 /nfs/dbraw/zinc/33/58/16/802335816.db2.gz YOXKWTINJKPAMR-UKRRQHHQSA-N 1 2 332.448 2.315 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001033145005 802402419 /nfs/dbraw/zinc/40/24/19/802402419.db2.gz FEIPXOYQNCWAIC-JKSUJKDBSA-N 1 2 339.443 2.372 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001033145005 802402421 /nfs/dbraw/zinc/40/24/21/802402421.db2.gz FEIPXOYQNCWAIC-JKSUJKDBSA-N 1 2 339.443 2.372 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001066460749 802610044 /nfs/dbraw/zinc/61/00/44/802610044.db2.gz QKBMTIPDYQATIK-OAHLLOKOSA-N 1 2 332.448 2.196 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001108275152 802950644 /nfs/dbraw/zinc/95/06/44/802950644.db2.gz YPRFMTCSXHXAJM-ZVDOUQERSA-N 1 2 340.467 2.329 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001108275152 802950647 /nfs/dbraw/zinc/95/06/47/802950647.db2.gz YPRFMTCSXHXAJM-ZVDOUQERSA-N 1 2 340.467 2.329 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)c2c(C)noc2C)C1 ZINC001108279673 803059268 /nfs/dbraw/zinc/05/92/68/803059268.db2.gz HUFWOYWODGFJLD-QAPCUYQASA-N 1 2 335.448 2.178 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)c2c(C)noc2C)C1 ZINC001108279673 803059273 /nfs/dbraw/zinc/05/92/73/803059273.db2.gz HUFWOYWODGFJLD-QAPCUYQASA-N 1 2 335.448 2.178 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccc3ccncc32)C1 ZINC001108317756 803267737 /nfs/dbraw/zinc/26/77/37/803267737.db2.gz MSQRRURIYRQERM-LJQANCHMSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccc3ccncc32)C1 ZINC001108317756 803267742 /nfs/dbraw/zinc/26/77/42/803267742.db2.gz MSQRRURIYRQERM-LJQANCHMSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccnc(C3CCCC3)n2)C1 ZINC001108315540 803288143 /nfs/dbraw/zinc/28/81/43/803288143.db2.gz XFWIKBKWXFDHAO-IBGZPJMESA-N 1 2 344.459 2.141 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccnc(C3CCCC3)n2)C1 ZINC001108315540 803288150 /nfs/dbraw/zinc/28/81/50/803288150.db2.gz XFWIKBKWXFDHAO-IBGZPJMESA-N 1 2 344.459 2.141 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCc2cc(C)cc(C)c2)C1 ZINC001108325846 803294601 /nfs/dbraw/zinc/29/46/01/803294601.db2.gz WJZNTHJRNUZCEU-NRFANRHFSA-N 1 2 342.483 2.466 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCc2cc(C)cc(C)c2)C1 ZINC001108325846 803294608 /nfs/dbraw/zinc/29/46/08/803294608.db2.gz WJZNTHJRNUZCEU-NRFANRHFSA-N 1 2 342.483 2.466 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001108421908 803534513 /nfs/dbraw/zinc/53/45/13/803534513.db2.gz ASOPSHMFOXTNTI-UZLBHIALSA-N 1 2 344.455 2.029 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001108421908 803534517 /nfs/dbraw/zinc/53/45/17/803534517.db2.gz ASOPSHMFOXTNTI-UZLBHIALSA-N 1 2 344.455 2.029 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)CNc2nc(C)[nH+]c3c2CCCC3)cn1 ZINC001108470434 803725682 /nfs/dbraw/zinc/72/56/82/803725682.db2.gz NUHWKISNOMZMGU-ZDUSSCGKSA-N 1 2 349.438 2.271 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C)C2 ZINC001108864174 804613053 /nfs/dbraw/zinc/61/30/53/804613053.db2.gz AWQXGFQZQSNDDL-XGUBFFRZSA-N 1 2 347.484 2.082 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C)C2 ZINC001108864174 804613060 /nfs/dbraw/zinc/61/30/60/804613060.db2.gz AWQXGFQZQSNDDL-XGUBFFRZSA-N 1 2 347.484 2.082 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1F ZINC001109072425 804908956 /nfs/dbraw/zinc/90/89/56/804908956.db2.gz FBHJNHIORQTKCC-KBMXLJTQSA-N 1 2 336.382 2.389 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1F ZINC001109072425 804908960 /nfs/dbraw/zinc/90/89/60/804908960.db2.gz FBHJNHIORQTKCC-KBMXLJTQSA-N 1 2 336.382 2.389 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](CCOc2ccc(C)cc2)CC1 ZINC001112671806 806993688 /nfs/dbraw/zinc/99/36/88/806993688.db2.gz SFGRNDQABMITGM-SFHVURJKSA-N 1 2 346.471 2.499 20 30 EEEDLO CCc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1 ZINC000787251033 807054282 /nfs/dbraw/zinc/05/42/82/807054282.db2.gz BDXCHYTZTWKQPF-INIZCTEOSA-N 1 2 340.471 2.322 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC001112814327 807328823 /nfs/dbraw/zinc/32/88/23/807328823.db2.gz NGEYEMFXOMJHEI-JSGCOSHPSA-N 1 2 335.275 2.042 20 30 EEEDLO C=CCOCC(=O)NC1CC(CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001112825840 807361631 /nfs/dbraw/zinc/36/16/31/807361631.db2.gz DMFVPFHZUQFXAA-UHFFFAOYSA-N 1 2 332.448 2.418 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC001112834677 807398336 /nfs/dbraw/zinc/39/83/36/807398336.db2.gz ZKTOLEJLXMMGPR-QGZVFWFLSA-N 1 2 332.419 2.053 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[NH+](CCOC[C@@H]2CCCCO2)CC1 ZINC001112898014 807559383 /nfs/dbraw/zinc/55/93/83/807559383.db2.gz GAPXRQLMTODKOY-KRWDZBQOSA-N 1 2 338.492 2.319 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H](C)Nc1cccc(F)c1C#N ZINC001113138394 808248130 /nfs/dbraw/zinc/24/81/30/808248130.db2.gz PXKBUXWVANYPMR-GHMZBOCLSA-N 1 2 329.379 2.277 20 30 EEEDLO COCCN(C)c1ccc(C=[NH+]Nc2nc3ccccc3n2C)cn1 ZINC000790158280 808461140 /nfs/dbraw/zinc/46/11/40/808461140.db2.gz NOTKKHNVVONCGC-UHFFFAOYSA-N 1 2 338.415 2.497 20 30 EEEDLO CSCCNC(=S)N[NH+]=Cc1ccc(N(C)C(C)C)nc1 ZINC000790170498 808478502 /nfs/dbraw/zinc/47/85/02/808478502.db2.gz NQGSOOOUIJHBDT-UHFFFAOYSA-N 1 2 325.507 2.087 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CCOC[C@@H]2CCCCO2)CC1 ZINC001113303027 808671032 /nfs/dbraw/zinc/67/10/32/808671032.db2.gz INXDVMREAGELNT-HKUYNNGSSA-N 1 2 338.492 2.319 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2occc2Br)CC1 ZINC001113434516 808988491 /nfs/dbraw/zinc/98/84/91/808988491.db2.gz MGJMYRDHVSUSIU-UHFFFAOYSA-N 1 2 343.221 2.003 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CCCOC3)CC2)cc1 ZINC000792830759 810028555 /nfs/dbraw/zinc/02/85/55/810028555.db2.gz AGYRMQLXVBSXSL-SFHVURJKSA-N 1 2 327.428 2.019 20 30 EEEDLO CCO[C@H](CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001113976800 810144097 /nfs/dbraw/zinc/14/40/97/810144097.db2.gz LQJIMKUHBOIGRF-XDNAFOTISA-N 1 2 345.418 2.059 20 30 EEEDLO CCO[C@H](CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001113976800 810144101 /nfs/dbraw/zinc/14/41/01/810144101.db2.gz LQJIMKUHBOIGRF-XDNAFOTISA-N 1 2 345.418 2.059 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(C)CC[C@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001114092265 810306103 /nfs/dbraw/zinc/30/61/03/810306103.db2.gz RBCOLFVBXAPDGX-MAUKXSAKSA-N 1 2 334.464 2.397 20 30 EEEDLO N#Cc1c(=O)n(C[NH+]2CCC([C@H]3CCOC3)CC2)cc2c1CCCC2 ZINC000793512037 810375536 /nfs/dbraw/zinc/37/55/36/810375536.db2.gz PAXUFEWQPJBRNA-KRWDZBQOSA-N 1 2 341.455 2.305 20 30 EEEDLO CCCC[C@@H](CNc1ccc(C#N)c(C)n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001114274263 810729618 /nfs/dbraw/zinc/72/96/18/810729618.db2.gz CXUVQMRHDGUORS-HNNXBMFYSA-N 1 2 340.431 2.314 20 30 EEEDLO CCCC[C@H](CNc1snc(C)c1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001114274837 810731000 /nfs/dbraw/zinc/73/10/00/810731000.db2.gz REDWXNROIHHCRX-GFCCVEGCSA-N 1 2 346.460 2.376 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2cccs2)[C@H](O)C1 ZINC001090489053 811883928 /nfs/dbraw/zinc/88/39/28/811883928.db2.gz HYFAYPMWUWQXEA-CHWSQXEVSA-N 1 2 342.892 2.330 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2cccs2)[C@H](O)C1 ZINC001090489053 811883935 /nfs/dbraw/zinc/88/39/35/811883935.db2.gz HYFAYPMWUWQXEA-CHWSQXEVSA-N 1 2 342.892 2.330 20 30 EEEDLO C#CCCCC(=O)N1C[C@H](C)O[C@]2(CC[N@H+](Cc3cscn3)C2)C1 ZINC001131658639 813109264 /nfs/dbraw/zinc/10/92/64/813109264.db2.gz VMOKWJCSVPXLHD-YJBOKZPZSA-N 1 2 347.484 2.138 20 30 EEEDLO C#CCCCC(=O)N1C[C@H](C)O[C@]2(CC[N@@H+](Cc3cscn3)C2)C1 ZINC001131658639 813109265 /nfs/dbraw/zinc/10/92/65/813109265.db2.gz VMOKWJCSVPXLHD-YJBOKZPZSA-N 1 2 347.484 2.138 20 30 EEEDLO C[C@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1coc(-c2cccs2)n1 ZINC001438861754 1091495433 /nfs/dbraw/zinc/49/54/33/1091495433.db2.gz CFADVVLWEBNGKN-GFCCVEGCSA-N 1 2 332.429 2.453 20 30 EEEDLO C[C@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1coc(-c2cccs2)n1 ZINC001438861754 1091495441 /nfs/dbraw/zinc/49/54/41/1091495441.db2.gz CFADVVLWEBNGKN-GFCCVEGCSA-N 1 2 332.429 2.453 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2c(F)cc(C)cc2F)C1 ZINC001440002204 1093115192 /nfs/dbraw/zinc/11/51/92/1093115192.db2.gz RFJBDAGNTDQZLH-MRXNPFEDSA-N 1 2 344.789 2.192 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2c(F)cc(C)cc2F)C1 ZINC001440002204 1093115195 /nfs/dbraw/zinc/11/51/95/1093115195.db2.gz RFJBDAGNTDQZLH-MRXNPFEDSA-N 1 2 344.789 2.192 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccn(CC(F)(F)F)n1 ZINC001444999583 1100135093 /nfs/dbraw/zinc/13/50/93/1100135093.db2.gz BINXURHHKJOSIN-UHFFFAOYSA-N 1 2 338.761 2.202 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccn(CC(F)(F)F)n1 ZINC001444999583 1100135098 /nfs/dbraw/zinc/13/50/98/1100135098.db2.gz BINXURHHKJOSIN-UHFFFAOYSA-N 1 2 338.761 2.202 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccccc1C(=O)N(C)C ZINC001496820874 1101534696 /nfs/dbraw/zinc/53/46/96/1101534696.db2.gz FACISFNCZVMVQZ-UHFFFAOYSA-N 1 2 337.851 2.145 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccccc1C(=O)N(C)C ZINC001496820874 1101534709 /nfs/dbraw/zinc/53/47/09/1101534709.db2.gz FACISFNCZVMVQZ-UHFFFAOYSA-N 1 2 337.851 2.145 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001447359496 1102523775 /nfs/dbraw/zinc/52/37/75/1102523775.db2.gz QNXUADQPIOOSFX-MCIONIFRSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001447359496 1102523781 /nfs/dbraw/zinc/52/37/81/1102523781.db2.gz QNXUADQPIOOSFX-MCIONIFRSA-N 1 2 345.281 2.243 20 30 EEEDLO C[C@@H](CNC(=O)c1[nH]nc2c1CCC2)[N@H+](C)Cc1cccc(C#N)c1 ZINC001448041409 1103874111 /nfs/dbraw/zinc/87/41/11/1103874111.db2.gz NHDQNPXHUYEHKR-ZDUSSCGKSA-N 1 2 337.427 2.020 20 30 EEEDLO C[C@@H](CNC(=O)c1[nH]nc2c1CCC2)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001448041409 1103874128 /nfs/dbraw/zinc/87/41/28/1103874128.db2.gz NHDQNPXHUYEHKR-ZDUSSCGKSA-N 1 2 337.427 2.020 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001494320148 1103893564 /nfs/dbraw/zinc/89/35/64/1103893564.db2.gz JCPPSZDFEDNMAM-ZFWWWQNUSA-N 1 2 349.500 2.250 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001494320148 1103893576 /nfs/dbraw/zinc/89/35/76/1103893576.db2.gz JCPPSZDFEDNMAM-ZFWWWQNUSA-N 1 2 349.500 2.250 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001500221698 1112685699 /nfs/dbraw/zinc/68/56/99/1112685699.db2.gz XNFFDGFMQLOBAE-OAHLLOKOSA-N 1 2 346.809 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001500221698 1112685700 /nfs/dbraw/zinc/68/57/00/1112685700.db2.gz XNFFDGFMQLOBAE-OAHLLOKOSA-N 1 2 346.809 2.462 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)C(C)C)C1 ZINC001500681374 1113021739 /nfs/dbraw/zinc/02/17/39/1113021739.db2.gz WHVHJGDNMYKXJK-OAHLLOKOSA-N 1 2 347.297 2.130 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)C(C)C)C1 ZINC001500681374 1113021743 /nfs/dbraw/zinc/02/17/43/1113021743.db2.gz WHVHJGDNMYKXJK-OAHLLOKOSA-N 1 2 347.297 2.130 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1cc(C)n[nH]1 ZINC001502163050 1113621871 /nfs/dbraw/zinc/62/18/71/1113621871.db2.gz ANUOGODVRLOCLO-UHFFFAOYSA-N 1 2 329.242 2.021 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1cc(C)n[nH]1 ZINC001502163050 1113621872 /nfs/dbraw/zinc/62/18/72/1113621872.db2.gz ANUOGODVRLOCLO-UHFFFAOYSA-N 1 2 329.242 2.021 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1cc(C)[nH]n1 ZINC001502163050 1113621874 /nfs/dbraw/zinc/62/18/74/1113621874.db2.gz ANUOGODVRLOCLO-UHFFFAOYSA-N 1 2 329.242 2.021 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1cc(C)[nH]n1 ZINC001502163050 1113621875 /nfs/dbraw/zinc/62/18/75/1113621875.db2.gz ANUOGODVRLOCLO-UHFFFAOYSA-N 1 2 329.242 2.021 20 30 EEEDLO COCC[N@H+](CCNC(=O)[C@@H](C)C#N)[C@H](C)c1nc2ccccc2o1 ZINC001508044174 1115400066 /nfs/dbraw/zinc/40/00/66/1115400066.db2.gz WMZQOLOFZSIBEH-UONOGXRCSA-N 1 2 344.415 2.113 20 30 EEEDLO COCC[N@@H+](CCNC(=O)[C@@H](C)C#N)[C@H](C)c1nc2ccccc2o1 ZINC001508044174 1115400067 /nfs/dbraw/zinc/40/00/67/1115400067.db2.gz WMZQOLOFZSIBEH-UONOGXRCSA-N 1 2 344.415 2.113 20 30 EEEDLO CC[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccccc1OC)[NH+](CC)CC ZINC001523875041 1119906105 /nfs/dbraw/zinc/90/61/05/1119906105.db2.gz NSUPNRGQIXNQPD-DZGCQCFKSA-N 1 2 331.416 2.463 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)c3cccc(Cl)c3)CC2)nc1 ZINC000174747914 231298255 /nfs/dbraw/zinc/29/82/55/231298255.db2.gz ZGTDALKPVPQJDC-QGZVFWFLSA-N 1 2 342.830 2.462 20 30 EEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Cc1ccc(C#N)cc1 ZINC000178349104 232142752 /nfs/dbraw/zinc/14/27/52/232142752.db2.gz BZQRKXRZNXVWEA-UHFFFAOYSA-N 1 2 336.395 2.280 20 30 EEEDLO CC(C)[C@H](CNc1snc(Cl)c1C#N)[NH+]1CCN(C)CC1 ZINC000266193317 535023235 /nfs/dbraw/zinc/02/32/35/535023235.db2.gz ZEKBBWBLPOWRSD-LBPRGKRZSA-N 1 2 327.885 2.352 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2nccc(C(C)C)n2)CC1 ZINC000185825123 539608959 /nfs/dbraw/zinc/60/89/59/539608959.db2.gz KTZRVHTXMALJGV-UHFFFAOYSA-N 1 2 345.491 2.147 20 30 EEEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@H]1CCc2cccnc21 ZINC000329260706 539770193 /nfs/dbraw/zinc/77/01/93/539770193.db2.gz DUJMNTQUZLSDBA-INIZCTEOSA-N 1 2 338.411 2.500 20 30 EEEDLO Cc1nc2ccccn2c1[C@H]1C(=O)NCC[N@H+]1CCCC(C)(C)C#N ZINC000370002248 238252962 /nfs/dbraw/zinc/25/29/62/238252962.db2.gz NHCWMCWXEHXXTQ-KRWDZBQOSA-N 1 2 339.443 2.446 20 30 EEEDLO Cc1nc2ccccn2c1[C@H]1C(=O)NCC[N@@H+]1CCCC(C)(C)C#N ZINC000370002248 238252969 /nfs/dbraw/zinc/25/29/69/238252969.db2.gz NHCWMCWXEHXXTQ-KRWDZBQOSA-N 1 2 339.443 2.446 20 30 EEEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1CCCC(C)(C)C#N ZINC000370002248 238252971 /nfs/dbraw/zinc/25/29/71/238252971.db2.gz NHCWMCWXEHXXTQ-KRWDZBQOSA-N 1 2 339.443 2.446 20 30 EEEDLO CC(C)([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1nccs1 ZINC000078993108 217169265 /nfs/dbraw/zinc/16/92/65/217169265.db2.gz CNHZDHNEKLTMAH-UHFFFAOYSA-N 1 2 335.454 2.313 20 30 EEEDLO CCn1cc[nH+]c1CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000496176165 247363215 /nfs/dbraw/zinc/36/32/15/247363215.db2.gz SKPXLVBJDZYPSX-CYBMUJFWSA-N 1 2 349.435 2.106 20 30 EEEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)[nH]1 ZINC000268532736 252000204 /nfs/dbraw/zinc/00/02/04/252000204.db2.gz ZAWKOPIMUOMPER-SWLSCSKDSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)[nH]1 ZINC000268532736 252000206 /nfs/dbraw/zinc/00/02/06/252000206.db2.gz ZAWKOPIMUOMPER-SWLSCSKDSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000268532736 252000210 /nfs/dbraw/zinc/00/02/10/252000210.db2.gz ZAWKOPIMUOMPER-SWLSCSKDSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000268532736 252000213 /nfs/dbraw/zinc/00/02/13/252000213.db2.gz ZAWKOPIMUOMPER-SWLSCSKDSA-N 1 2 338.415 2.191 20 30 EEEDLO C#C[C@H](CC)NC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000491361218 533301168 /nfs/dbraw/zinc/30/11/68/533301168.db2.gz JNIDGXVDUAFMBV-OAHLLOKOSA-N 1 2 348.406 2.068 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000183871080 533366969 /nfs/dbraw/zinc/36/69/69/533366969.db2.gz REWRGMKHEMBMLF-SJORKVTESA-N 1 2 344.411 2.247 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000183871080 533366972 /nfs/dbraw/zinc/36/69/72/533366972.db2.gz REWRGMKHEMBMLF-SJORKVTESA-N 1 2 344.411 2.247 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000352302739 153046262 /nfs/dbraw/zinc/04/62/62/153046262.db2.gz NOURUCIZSFATDS-OAHLLOKOSA-N 1 2 330.413 2.030 20 30 EEEDLO N#Cc1cccnc1NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000354086637 153097894 /nfs/dbraw/zinc/09/78/94/153097894.db2.gz RYKJUTBZNVBECJ-UHFFFAOYSA-N 1 2 341.459 2.090 20 30 EEEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000069599907 159029331 /nfs/dbraw/zinc/02/93/31/159029331.db2.gz DAIXAMHKIKJGHL-UHFFFAOYSA-N 1 2 341.436 2.457 20 30 EEEDLO Cc1cc[nH+]cc1N1CCN(C(=O)CNc2cccc(C#N)c2)CC1 ZINC000343860731 161175254 /nfs/dbraw/zinc/17/52/54/161175254.db2.gz MRXVRTFBCDGHOK-UHFFFAOYSA-N 1 2 335.411 2.022 20 30 EEEDLO C[C@@H]1C[NH+](CCN(C)C(=O)c2c(F)cc(C#N)cc2F)C[C@@H](C)O1 ZINC000345407732 161299583 /nfs/dbraw/zinc/29/95/83/161299583.db2.gz RLSQCJIJIHNWEA-VXGBXAGGSA-N 1 2 337.370 2.018 20 30 EEEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)[C@H]1C ZINC000346693561 161392404 /nfs/dbraw/zinc/39/24/04/161392404.db2.gz NWUDJONKICVORR-CMPLNLGQSA-N 1 2 335.429 2.059 20 30 EEEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)[C@H]1C ZINC000346693561 161392405 /nfs/dbraw/zinc/39/24/05/161392405.db2.gz NWUDJONKICVORR-CMPLNLGQSA-N 1 2 335.429 2.059 20 30 EEEDLO Cc1cccc(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)c1C#N ZINC000156314569 292553598 /nfs/dbraw/zinc/55/35/98/292553598.db2.gz DKCVGACUTPDJGN-UHFFFAOYSA-N 1 2 340.408 2.035 20 30 EEEDLO C#CCCCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000123788608 222331173 /nfs/dbraw/zinc/33/11/73/222331173.db2.gz NCRGHCDCBHXEOP-MOPGFXCFSA-N 1 2 341.455 2.085 20 30 EEEDLO C#CCCCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000123788608 222331174 /nfs/dbraw/zinc/33/11/74/222331174.db2.gz NCRGHCDCBHXEOP-MOPGFXCFSA-N 1 2 341.455 2.085 20 30 EEEDLO CCOC(=O)Nc1ccc(NC(=O)NCc2c[nH+]cn2C)cc1C#N ZINC000290054878 266265741 /nfs/dbraw/zinc/26/57/41/266265741.db2.gz BIZZTMQZNAQATD-UHFFFAOYSA-N 1 2 342.359 2.182 20 30 EEEDLO C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000281982050 267088060 /nfs/dbraw/zinc/08/80/60/267088060.db2.gz HTPLZKJNENOSFA-DAYGRLMNSA-N 1 2 327.428 2.016 20 30 EEEDLO Cc1noc(C23CC(C2)C[N@@H+]3CCC(=O)Nc2sccc2C#N)n1 ZINC000528631293 268096632 /nfs/dbraw/zinc/09/66/32/268096632.db2.gz LZJMJQPIUADZBD-UHFFFAOYSA-N 1 2 343.412 2.261 20 30 EEEDLO Cc1noc(C23CC(C2)C[N@H+]3CCC(=O)Nc2sccc2C#N)n1 ZINC000528631293 268096634 /nfs/dbraw/zinc/09/66/34/268096634.db2.gz LZJMJQPIUADZBD-UHFFFAOYSA-N 1 2 343.412 2.261 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285544199 268308923 /nfs/dbraw/zinc/30/89/23/268308923.db2.gz LTOWRONHNJRCPO-ZDUSSCGKSA-N 1 2 347.362 2.338 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285544199 268308924 /nfs/dbraw/zinc/30/89/24/268308924.db2.gz LTOWRONHNJRCPO-ZDUSSCGKSA-N 1 2 347.362 2.338 20 30 EEEDLO C[C@H](C(=O)N1CCCC1)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000088596123 298012005 /nfs/dbraw/zinc/01/20/05/298012005.db2.gz LROKAYHCYWKZLX-DLBZAZTESA-N 1 2 340.471 2.248 20 30 EEEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000088596123 298012007 /nfs/dbraw/zinc/01/20/07/298012007.db2.gz LROKAYHCYWKZLX-DLBZAZTESA-N 1 2 340.471 2.248 20 30 EEEDLO COC(=O)[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)C(C)C ZINC000566055081 319239135 /nfs/dbraw/zinc/23/91/35/319239135.db2.gz VIZBTEJBEYFRRX-OAHLLOKOSA-N 1 2 349.456 2.224 20 30 EEEDLO N#Cc1cccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000566199040 319259192 /nfs/dbraw/zinc/25/91/92/319259192.db2.gz XJIMMXMKMGUNEO-UHFFFAOYSA-N 1 2 327.413 2.364 20 30 EEEDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ncoc1C1CC1 ZINC000328839413 465143655 /nfs/dbraw/zinc/14/36/55/465143655.db2.gz NUHFVWMDJMLPHY-INIZCTEOSA-N 1 2 337.445 2.065 20 30 EEEDLO O=C(N[C@@H]1CCCN(c2ccccc2F)C1)N1CCn2cc[nH+]c2C1 ZINC000328919970 465167700 /nfs/dbraw/zinc/16/77/00/465167700.db2.gz LRIVJGYMYGZUOX-CQSZACIVSA-N 1 2 343.406 2.421 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)C[C@H]2CCCO2)CCC(=O)N1C1CC1 ZINC000328967997 465185470 /nfs/dbraw/zinc/18/54/70/465185470.db2.gz AFIKSAUNJXGNED-HBUWYVDXSA-N 1 2 346.431 2.140 20 30 EEEDLO C=CCC[C@H](NC(=O)C[N@@H+](C)CC(=O)NC(C)C)c1ccccc1 ZINC000355041236 465220255 /nfs/dbraw/zinc/22/02/55/465220255.db2.gz IVGZVZKSHYSITB-KRWDZBQOSA-N 1 2 331.460 2.267 20 30 EEEDLO C=CCC[C@H](NC(=O)C[N@H+](C)CC(=O)NC(C)C)c1ccccc1 ZINC000355041236 465220258 /nfs/dbraw/zinc/22/02/58/465220258.db2.gz IVGZVZKSHYSITB-KRWDZBQOSA-N 1 2 331.460 2.267 20 30 EEEDLO Cc1cccn2cc(CNS(=O)(=O)Cc3ccc(C#N)cc3)[nH+]c12 ZINC000341566205 465234786 /nfs/dbraw/zinc/23/47/86/465234786.db2.gz QEPPRAQBBIXYFY-UHFFFAOYSA-N 1 2 340.408 2.134 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(F)cc1C#N)C(C)(C)CO ZINC000297317902 465252793 /nfs/dbraw/zinc/25/27/93/465252793.db2.gz CARPNACASDQHFU-AWEZNQCLSA-N 1 2 345.378 2.312 20 30 EEEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@@H]3CCCc4occc43)CC2)cn1 ZINC000329204592 465266364 /nfs/dbraw/zinc/26/63/64/465266364.db2.gz ZABRYPCLJZLZNC-MRXNPFEDSA-N 1 2 343.431 2.122 20 30 EEEDLO COc1cnc(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)s1 ZINC000329256719 465281526 /nfs/dbraw/zinc/28/15/26/465281526.db2.gz XSNOIFMXXYRWJF-MWLCHTKSSA-N 1 2 337.405 2.131 20 30 EEEDLO C=CCCN(C)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000355965866 465283655 /nfs/dbraw/zinc/28/36/55/465283655.db2.gz XADSEUGIOLFEOZ-MRXNPFEDSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCN(C)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000355965866 465283662 /nfs/dbraw/zinc/28/36/62/465283662.db2.gz XADSEUGIOLFEOZ-MRXNPFEDSA-N 1 2 332.448 2.052 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000342021235 465285077 /nfs/dbraw/zinc/28/50/77/465285077.db2.gz QPSLWEDXSDOLPU-UHFFFAOYSA-N 1 2 327.428 2.218 20 30 EEEDLO Cc1nnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)c1C ZINC000298151072 465315802 /nfs/dbraw/zinc/31/58/02/465315802.db2.gz GVQSHGILHSIZOV-QGZVFWFLSA-N 1 2 337.427 2.278 20 30 EEEDLO Cc1nnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)c1C ZINC000298151072 465315807 /nfs/dbraw/zinc/31/58/07/465315807.db2.gz GVQSHGILHSIZOV-QGZVFWFLSA-N 1 2 337.427 2.278 20 30 EEEDLO C#CCn1ccc(CN(CCOC)c2[nH+]c3cccc(F)c3n2C)n1 ZINC000491092477 468298751 /nfs/dbraw/zinc/29/87/51/468298751.db2.gz BYXVLGYNYPFTOJ-UHFFFAOYSA-N 1 2 341.390 2.195 20 30 EEEDLO C=C(C)COCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000152761769 462577691 /nfs/dbraw/zinc/57/76/91/462577691.db2.gz PSZVKEMNQFXGNO-KRWDZBQOSA-N 1 2 334.485 2.485 20 30 EEEDLO CC(C)OCC[NH+]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000129101109 462690037 /nfs/dbraw/zinc/69/00/37/462690037.db2.gz MMCNKAMPMKDVSK-UHFFFAOYSA-N 1 2 335.835 2.394 20 30 EEEDLO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000089925770 462742953 /nfs/dbraw/zinc/74/29/53/462742953.db2.gz VSHFBEOTIUABKK-KRWDZBQOSA-N 1 2 328.391 2.376 20 30 EEEDLO C=CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000130825684 462778218 /nfs/dbraw/zinc/77/82/18/462778218.db2.gz DNWWGCGEHFQLHB-UHFFFAOYSA-N 1 2 344.427 2.425 20 30 EEEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)/C=C/c2ccc(C#N)cc2)no1 ZINC000065757304 462824005 /nfs/dbraw/zinc/82/40/05/462824005.db2.gz IRJXIZKOMSKLSE-MDZDMXLPSA-N 1 2 339.399 2.068 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000131997964 462837566 /nfs/dbraw/zinc/83/75/66/462837566.db2.gz JZFGXNVCQOMARW-QGZVFWFLSA-N 1 2 341.411 2.358 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000131997964 462837572 /nfs/dbraw/zinc/83/75/72/462837572.db2.gz JZFGXNVCQOMARW-QGZVFWFLSA-N 1 2 341.411 2.358 20 30 EEEDLO COC(=O)c1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c[nH]1 ZINC000155257530 462866811 /nfs/dbraw/zinc/86/68/11/462866811.db2.gz UVJNELABGYZVCL-GOSISDBHSA-N 1 2 338.411 2.184 20 30 EEEDLO CO/N=C/c1ccc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000066312684 462872989 /nfs/dbraw/zinc/87/29/89/462872989.db2.gz KKXXFXSOEDBUKP-KGENOOAVSA-N 1 2 338.411 2.020 20 30 EEEDLO Cc1cccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)c1C#N ZINC000156127187 462983369 /nfs/dbraw/zinc/98/33/69/462983369.db2.gz HUPBMNOSAXQZRS-CQSZACIVSA-N 1 2 333.413 2.041 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000017291437 462996849 /nfs/dbraw/zinc/99/68/49/462996849.db2.gz VBRRSAUMGAOCGF-NSHDSACASA-N 1 2 332.429 2.301 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000017291437 462996851 /nfs/dbraw/zinc/99/68/51/462996851.db2.gz VBRRSAUMGAOCGF-NSHDSACASA-N 1 2 332.429 2.301 20 30 EEEDLO C=C(C)CNC(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000156394910 463018092 /nfs/dbraw/zinc/01/80/92/463018092.db2.gz GENMMHNXQUCJIG-UHFFFAOYSA-N 1 2 333.432 2.107 20 30 EEEDLO N#CCOc1ccc(CC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000120718959 463031920 /nfs/dbraw/zinc/03/19/20/463031920.db2.gz OHSOOYYWMMLGTJ-GOSISDBHSA-N 1 2 337.379 2.206 20 30 EEEDLO N#Cc1cccc(NC(=O)CN2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000023375662 463066694 /nfs/dbraw/zinc/06/66/94/463066694.db2.gz WWSUMGWOOWDFOP-UHFFFAOYSA-N 1 2 340.452 2.376 20 30 EEEDLO N#CCc1ccc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000078248167 463094973 /nfs/dbraw/zinc/09/49/73/463094973.db2.gz YZXPPUIMJDANIO-UHFFFAOYSA-N 1 2 335.411 2.497 20 30 EEEDLO CCNC(=O)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000121574245 463160268 /nfs/dbraw/zinc/16/02/68/463160268.db2.gz WXJFFKHTENZMLA-UHFFFAOYSA-N 1 2 330.432 2.216 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)CCCn2c3ccccc3[nH]c2=O)n1 ZINC000491285839 468341933 /nfs/dbraw/zinc/34/19/33/468341933.db2.gz FUCMMJQGIVFUFX-UHFFFAOYSA-N 1 2 337.427 2.484 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)CCCn2c3ccccc3[nH]c2=O)n1 ZINC000491285839 468341937 /nfs/dbraw/zinc/34/19/37/468341937.db2.gz FUCMMJQGIVFUFX-UHFFFAOYSA-N 1 2 337.427 2.484 20 30 EEEDLO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000054429496 463234988 /nfs/dbraw/zinc/23/49/88/463234988.db2.gz KYOXMUQGTNDQDN-UHFFFAOYSA-N 1 2 340.349 2.067 20 30 EEEDLO Cc1cccc(OC[C@H](O)C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000158584253 463241381 /nfs/dbraw/zinc/24/13/81/463241381.db2.gz UZORZSNFAUMJIL-QGZVFWFLSA-N 1 2 338.407 2.370 20 30 EEEDLO N#Cc1c(F)cccc1N1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000029858957 463275983 /nfs/dbraw/zinc/27/59/83/463275983.db2.gz LDSBUPFBMONPTJ-GOSISDBHSA-N 1 2 338.386 2.046 20 30 EEEDLO CCCCNC(=O)[C@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029859738 463276671 /nfs/dbraw/zinc/27/66/71/463276671.db2.gz RUSLPGRBHGEENA-AWEZNQCLSA-N 1 2 332.423 2.124 20 30 EEEDLO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000097047125 463310150 /nfs/dbraw/zinc/31/01/50/463310150.db2.gz WXQVVUDAOPQVTG-CQSZACIVSA-N 1 2 336.233 2.421 20 30 EEEDLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000097047125 463310154 /nfs/dbraw/zinc/31/01/54/463310154.db2.gz WXQVVUDAOPQVTG-CQSZACIVSA-N 1 2 336.233 2.421 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CC(=O)N1CCCC1 ZINC000031086391 463323879 /nfs/dbraw/zinc/32/38/79/463323879.db2.gz KRZVGYLJDXCKJT-LBPRGKRZSA-N 1 2 348.834 2.093 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CC(=O)N1CCCC1 ZINC000031086391 463323886 /nfs/dbraw/zinc/32/38/86/463323886.db2.gz KRZVGYLJDXCKJT-LBPRGKRZSA-N 1 2 348.834 2.093 20 30 EEEDLO Cn1cc(C2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)cn1 ZINC000097202897 463347601 /nfs/dbraw/zinc/34/76/01/463347601.db2.gz FJEIMLDWNRPMIE-UHFFFAOYSA-N 1 2 329.429 2.171 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CNc2cccc(C#N)c2)CC1 ZINC000160870814 463378126 /nfs/dbraw/zinc/37/81/26/463378126.db2.gz WZOGDAXICPNPTI-MRXNPFEDSA-N 1 2 349.438 2.271 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C1C2CC3CC(C2)CC1C3 ZINC000070920217 463393198 /nfs/dbraw/zinc/39/31/98/463393198.db2.gz XXWJBJQRKMCIKR-UHFFFAOYSA-N 1 2 345.487 2.133 20 30 EEEDLO N#Cc1cccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000057020906 463445357 /nfs/dbraw/zinc/44/53/57/463445357.db2.gz PNTFBBNYPOHMOR-UHFFFAOYSA-N 1 2 338.392 2.222 20 30 EEEDLO CC(C)[C@H](C#N)N1CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000071897195 463461461 /nfs/dbraw/zinc/46/14/61/463461461.db2.gz GCOQLQIWRWNXLE-ZDUSSCGKSA-N 1 2 329.370 2.111 20 30 EEEDLO C=C(C)COCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000162313686 463500210 /nfs/dbraw/zinc/50/02/10/463500210.db2.gz ZJBBSPSXQLHQSN-MRXNPFEDSA-N 1 2 349.450 2.045 20 30 EEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083445652 463548064 /nfs/dbraw/zinc/54/80/64/463548064.db2.gz AKZOKNMIUUTXDS-UHFFFAOYSA-N 1 2 344.806 2.148 20 30 EEEDLO C#C[C@@H]1COCCN1Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000491785844 468364666 /nfs/dbraw/zinc/36/46/66/468364666.db2.gz VKIGRPLEKVHTOJ-CYBMUJFWSA-N 1 2 334.217 2.239 20 30 EEEDLO N#Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000126074435 463603697 /nfs/dbraw/zinc/60/36/97/463603697.db2.gz YLINVEJBXKOXIC-CYBMUJFWSA-N 1 2 334.376 2.336 20 30 EEEDLO C[C@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 ZINC000166507109 463656231 /nfs/dbraw/zinc/65/62/31/463656231.db2.gz VUSXODHJZDJRFL-CYBMUJFWSA-N 1 2 339.486 2.060 20 30 EEEDLO Cc1cc(C)cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000177502942 463722095 /nfs/dbraw/zinc/72/20/95/463722095.db2.gz DKHMVMUGZNSUQC-UHFFFAOYSA-N 1 2 330.432 2.383 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000184954132 463724853 /nfs/dbraw/zinc/72/48/53/463724853.db2.gz WKIVMIXAFDSGBO-UHFFFAOYSA-N 1 2 338.411 2.312 20 30 EEEDLO CC(C)N1CCC[C@@H]([NH+]2CCN(c3cccc(F)c3C#N)CC2)C1=O ZINC000177684627 463765615 /nfs/dbraw/zinc/76/56/15/463765615.db2.gz FNFNTBXMVHFMFB-GOSISDBHSA-N 1 2 344.434 2.219 20 30 EEEDLO C#CCOc1cccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000287045236 463783371 /nfs/dbraw/zinc/78/33/71/463783371.db2.gz PSNFAIAMZUOUIO-WBVHZDCISA-N 1 2 343.427 2.026 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(F)nc3)CC2)cc1 ZINC000268926374 463812146 /nfs/dbraw/zinc/81/21/46/463812146.db2.gz LFISENZZHTXCKN-UHFFFAOYSA-N 1 2 339.374 2.442 20 30 EEEDLO N#CCOc1ccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000171370184 463851980 /nfs/dbraw/zinc/85/19/80/463851980.db2.gz QHSHJXGKGKVPLL-UHFFFAOYSA-N 1 2 339.399 2.332 20 30 EEEDLO Cc1ccc([C@H](CNC(=O)NCCCCC#N)[NH+]2CCOCC2)cc1 ZINC000171429039 463861487 /nfs/dbraw/zinc/86/14/87/463861487.db2.gz IITFLGXQJXDSIT-SFHVURJKSA-N 1 2 344.459 2.361 20 30 EEEDLO NC(=[NH+]OCC1OCCO1)c1ccc(OCc2ccccc2)cc1 ZINC000194627894 463899545 /nfs/dbraw/zinc/89/95/45/463899545.db2.gz QPLIYHZPXPQAEX-UHFFFAOYSA-N 1 2 328.368 2.275 20 30 EEEDLO C[C@H](c1nncn1C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000287730780 463983380 /nfs/dbraw/zinc/98/33/80/463983380.db2.gz KOSUSAPYJBYKTC-CYBMUJFWSA-N 1 2 338.415 2.098 20 30 EEEDLO C#CCOc1cccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000269441058 463985893 /nfs/dbraw/zinc/98/58/93/463985893.db2.gz JIIQYPWLHMBTOU-QGZVFWFLSA-N 1 2 343.427 2.027 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000289374668 464075439 /nfs/dbraw/zinc/07/54/39/464075439.db2.gz KNYIYFDEBONGKC-LJQANCHMSA-N 1 2 332.444 2.057 20 30 EEEDLO N#CCCCOc1cccnc1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000289983223 464103871 /nfs/dbraw/zinc/10/38/71/464103871.db2.gz XXSQUWLLOGZFTO-UHFFFAOYSA-N 1 2 326.360 2.008 20 30 EEEDLO COCCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000179345455 464112141 /nfs/dbraw/zinc/11/21/41/464112141.db2.gz NRZZOVMNUSLOFL-HIFRSBDPSA-N 1 2 349.431 2.223 20 30 EEEDLO COCCO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000179345455 464112148 /nfs/dbraw/zinc/11/21/48/464112148.db2.gz NRZZOVMNUSLOFL-HIFRSBDPSA-N 1 2 349.431 2.223 20 30 EEEDLO CC(C)(C)[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000279734301 464136128 /nfs/dbraw/zinc/13/61/28/464136128.db2.gz JXVAPNYJCSSERM-IRXDYDNUSA-N 1 2 327.428 2.410 20 30 EEEDLO CC(C)(C)[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000279734301 464136129 /nfs/dbraw/zinc/13/61/29/464136129.db2.gz JXVAPNYJCSSERM-IRXDYDNUSA-N 1 2 327.428 2.410 20 30 EEEDLO CCc1nn(C)cc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000179762405 464183957 /nfs/dbraw/zinc/18/39/57/464183957.db2.gz SEDRATJFMXVXGM-UHFFFAOYSA-N 1 2 327.407 2.315 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263773055 464184003 /nfs/dbraw/zinc/18/40/03/464184003.db2.gz XABMIXHHGQZUSE-PKOBYXMFSA-N 1 2 329.444 2.287 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263773055 464184009 /nfs/dbraw/zinc/18/40/09/464184009.db2.gz XABMIXHHGQZUSE-PKOBYXMFSA-N 1 2 329.444 2.287 20 30 EEEDLO C#CC[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000270402506 464254381 /nfs/dbraw/zinc/25/43/81/464254381.db2.gz JVKQDSKOYMOICG-KRWDZBQOSA-N 1 2 329.444 2.161 20 30 EEEDLO C#CC[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000270402506 464254385 /nfs/dbraw/zinc/25/43/85/464254385.db2.gz JVKQDSKOYMOICG-KRWDZBQOSA-N 1 2 329.444 2.161 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nc3c(cccc3F)n2CC)C1=O ZINC000281178089 464361453 /nfs/dbraw/zinc/36/14/53/464361453.db2.gz ARRCYAUEGWEUOB-OAHLLOKOSA-N 1 2 330.407 2.414 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nc3c(cccc3F)n2CC)C1=O ZINC000281178089 464361458 /nfs/dbraw/zinc/36/14/58/464361458.db2.gz ARRCYAUEGWEUOB-OAHLLOKOSA-N 1 2 330.407 2.414 20 30 EEEDLO COc1ccccc1[C@H]1CN(C(=O)c2ccc(C#N)s2)CC[NH2+]1 ZINC000337603781 465464202 /nfs/dbraw/zinc/46/42/02/465464202.db2.gz UEZJUYUWUWOGJT-CQSZACIVSA-N 1 2 327.409 2.415 20 30 EEEDLO COc1cccc(C(N)=[NH+]OCC(=O)N(C)Cc2ccccc2C)c1 ZINC000174212277 464378247 /nfs/dbraw/zinc/37/82/47/464378247.db2.gz HMOMQOYFVSNXAS-UHFFFAOYSA-N 1 2 341.411 2.299 20 30 EEEDLO CC(C)[C@H](C)NC(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000174572674 464425321 /nfs/dbraw/zinc/42/53/21/464425321.db2.gz FVJQPXCBMBUCMU-FUHWJXTLSA-N 1 2 328.460 2.030 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000294252547 464446174 /nfs/dbraw/zinc/44/61/74/464446174.db2.gz CWYMMASHOSWFKX-DOMZBBRYSA-N 1 2 331.803 2.317 20 30 EEEDLO CC(C)C[N@H+](CC(N)=O)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174816967 464454264 /nfs/dbraw/zinc/45/42/64/464454264.db2.gz XJNIBVIMEIKYDA-UHFFFAOYSA-N 1 2 340.427 2.181 20 30 EEEDLO CC(C)C[N@@H+](CC(N)=O)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174816967 464454268 /nfs/dbraw/zinc/45/42/68/464454268.db2.gz XJNIBVIMEIKYDA-UHFFFAOYSA-N 1 2 340.427 2.181 20 30 EEEDLO C#CCCOc1ccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000294418568 464494825 /nfs/dbraw/zinc/49/48/25/464494825.db2.gz NCJXXJQXQZSSEJ-UHFFFAOYSA-N 1 2 349.434 2.442 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175373470 464534359 /nfs/dbraw/zinc/53/43/59/464534359.db2.gz YBPINFMHIOUNEX-IKGLDXFJSA-N 1 2 349.500 2.471 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175373470 464534367 /nfs/dbraw/zinc/53/43/67/464534367.db2.gz YBPINFMHIOUNEX-IKGLDXFJSA-N 1 2 349.500 2.471 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000547445110 468412262 /nfs/dbraw/zinc/41/22/62/468412262.db2.gz ZDNLISBIGJXCII-RBUKOAKNSA-N 1 2 349.471 2.281 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000547445110 468412268 /nfs/dbraw/zinc/41/22/68/468412268.db2.gz ZDNLISBIGJXCII-RBUKOAKNSA-N 1 2 349.471 2.281 20 30 EEEDLO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nccs1 ZINC000190631017 464691804 /nfs/dbraw/zinc/69/18/04/464691804.db2.gz OMSUCAWJWCNIBB-DOMZBBRYSA-N 1 2 326.425 2.466 20 30 EEEDLO Cc1nnc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)s1 ZINC000273582942 464721145 /nfs/dbraw/zinc/72/11/45/464721145.db2.gz HYNDGERDBLOWEH-LBPRGKRZSA-N 1 2 329.429 2.444 20 30 EEEDLO C#CC[N@@H+](CC(=O)N[C@H](C)c1ccc(OCC)c(OC)c1)C1CC1 ZINC000274219241 464738990 /nfs/dbraw/zinc/73/89/90/464738990.db2.gz UYUQNAYXDJZHEL-CQSZACIVSA-N 1 2 330.428 2.369 20 30 EEEDLO C#CC[N@H+](CC(=O)N[C@H](C)c1ccc(OCC)c(OC)c1)C1CC1 ZINC000274219241 464738997 /nfs/dbraw/zinc/73/89/97/464738997.db2.gz UYUQNAYXDJZHEL-CQSZACIVSA-N 1 2 330.428 2.369 20 30 EEEDLO COc1cc(C[NH+]2CCN(c3nc(C)cc(C)n3)CC2)ccc1C#N ZINC000282372003 464792203 /nfs/dbraw/zinc/79/22/03/464792203.db2.gz QJPGMYONMFXQBK-UHFFFAOYSA-N 1 2 337.427 2.296 20 30 EEEDLO C#CC[N@@H+](C)[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000192233880 464890649 /nfs/dbraw/zinc/89/06/49/464890649.db2.gz PUWNBMLZXIBAMG-JTQLQIEISA-N 1 2 333.413 2.096 20 30 EEEDLO C#CC[N@H+](C)[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000192233880 464890654 /nfs/dbraw/zinc/89/06/54/464890654.db2.gz PUWNBMLZXIBAMG-JTQLQIEISA-N 1 2 333.413 2.096 20 30 EEEDLO C#CC[N@@H+](C)[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000192233873 464890732 /nfs/dbraw/zinc/89/07/32/464890732.db2.gz PUWNBMLZXIBAMG-SNVBAGLBSA-N 1 2 333.413 2.096 20 30 EEEDLO C#CC[N@H+](C)[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000192233873 464890734 /nfs/dbraw/zinc/89/07/34/464890734.db2.gz PUWNBMLZXIBAMG-SNVBAGLBSA-N 1 2 333.413 2.096 20 30 EEEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000342392754 465318099 /nfs/dbraw/zinc/31/80/99/465318099.db2.gz JHCFXGXQOHUIAA-CQSZACIVSA-N 1 2 338.473 2.114 20 30 EEEDLO N#Cc1cccc(NCC(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c1 ZINC000337580984 465447786 /nfs/dbraw/zinc/44/77/86/465447786.db2.gz ISDVFERBGSYUOL-SFHVURJKSA-N 1 2 338.386 2.282 20 30 EEEDLO Cc1nc(CCNC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cs1 ZINC000329834726 465448206 /nfs/dbraw/zinc/44/82/06/465448206.db2.gz LTNKWPRAVRZZRR-DOMZBBRYSA-N 1 2 349.460 2.151 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1OC ZINC000298722237 465483493 /nfs/dbraw/zinc/48/34/93/465483493.db2.gz DRNIVGDWTMSPBB-CHWSQXEVSA-N 1 2 349.431 2.130 20 30 EEEDLO COc1cc(OC)cc([C@@H](NC(=O)CCCC#N)c2[nH+]ccn2C)c1 ZINC000359910362 465505826 /nfs/dbraw/zinc/50/58/26/465505826.db2.gz ZQQSVFXKIQMOJH-QGZVFWFLSA-N 1 2 342.399 2.337 20 30 EEEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000330029398 465510873 /nfs/dbraw/zinc/51/08/73/465510873.db2.gz PXFOTSJOESXENT-BSXFFOKHSA-N 1 2 340.427 2.368 20 30 EEEDLO O=C(Nc1cccc2c1OCO2)N1CC[NH+](Cc2ccccn2)CC1 ZINC000330031093 465512193 /nfs/dbraw/zinc/51/21/93/465512193.db2.gz SPLXYENSHRJBAI-UHFFFAOYSA-N 1 2 340.383 2.174 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000352323237 465516432 /nfs/dbraw/zinc/51/64/32/465516432.db2.gz AJEQYNTYXQEYCR-AWEZNQCLSA-N 1 2 332.448 2.039 20 30 EEEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCOC[C@@H](C2CCC2)C1 ZINC000330180014 465558900 /nfs/dbraw/zinc/55/89/00/465558900.db2.gz FQRVFVWSKWTLOH-HNNXBMFYSA-N 1 2 332.448 2.382 20 30 EEEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(O)ccc1C(F)(F)F ZINC000330413745 465650698 /nfs/dbraw/zinc/65/06/98/465650698.db2.gz BXGIDQCASFXKJE-JTQLQIEISA-N 1 2 332.322 2.436 20 30 EEEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cc(O)ccc1C(F)(F)F ZINC000330413745 465650706 /nfs/dbraw/zinc/65/07/06/465650706.db2.gz BXGIDQCASFXKJE-JTQLQIEISA-N 1 2 332.322 2.436 20 30 EEEDLO C[C@](C#N)(NC(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000299249532 465663915 /nfs/dbraw/zinc/66/39/15/465663915.db2.gz AVRMZNLPZGVBQO-GOSISDBHSA-N 1 2 346.862 2.270 20 30 EEEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1 ZINC000330561450 465706735 /nfs/dbraw/zinc/70/67/35/465706735.db2.gz IIYUZXTYNKOVRW-JTQLQIEISA-N 1 2 348.369 2.292 20 30 EEEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1 ZINC000330561450 465706736 /nfs/dbraw/zinc/70/67/36/465706736.db2.gz IIYUZXTYNKOVRW-JTQLQIEISA-N 1 2 348.369 2.292 20 30 EEEDLO Cc1nc(C(F)(F)F)ccc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330623136 465736333 /nfs/dbraw/zinc/73/63/33/465736333.db2.gz PEXBZRPAQOUMFB-JTQLQIEISA-N 1 2 331.338 2.434 20 30 EEEDLO Cc1nc(C(F)(F)F)ccc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330623136 465736338 /nfs/dbraw/zinc/73/63/38/465736338.db2.gz PEXBZRPAQOUMFB-JTQLQIEISA-N 1 2 331.338 2.434 20 30 EEEDLO Cc1c(C#N)cccc1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000338211043 465905802 /nfs/dbraw/zinc/90/58/02/465905802.db2.gz XPQTZGSWCQUQIE-MRXNPFEDSA-N 1 2 335.411 2.003 20 30 EEEDLO Cc1c(C#N)cccc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000338211043 465905812 /nfs/dbraw/zinc/90/58/12/465905812.db2.gz XPQTZGSWCQUQIE-MRXNPFEDSA-N 1 2 335.411 2.003 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000353502217 465936030 /nfs/dbraw/zinc/93/60/30/465936030.db2.gz PPDVCEPJNZXURX-SFHVURJKSA-N 1 2 344.455 2.369 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000353502217 465936035 /nfs/dbraw/zinc/93/60/35/465936035.db2.gz PPDVCEPJNZXURX-SFHVURJKSA-N 1 2 344.455 2.369 20 30 EEEDLO N#Cc1ccc(F)c(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)c1 ZINC000301448104 465966507 /nfs/dbraw/zinc/96/65/07/465966507.db2.gz DSXGMKBYMSEFIU-AWEZNQCLSA-N 1 2 341.390 2.308 20 30 EEEDLO N#Cc1ccc(F)c(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)c1 ZINC000301448104 465966515 /nfs/dbraw/zinc/96/65/15/465966515.db2.gz DSXGMKBYMSEFIU-AWEZNQCLSA-N 1 2 341.390 2.308 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000340313697 465981192 /nfs/dbraw/zinc/98/11/92/465981192.db2.gz LPOGROVARQIFKR-UHFFFAOYSA-N 1 2 349.519 2.429 20 30 EEEDLO CC(C)(C)OC(=O)CN[C@@]1(C)CC[N@H+](Cc2ccccc2C#N)C1 ZINC000349186494 466010045 /nfs/dbraw/zinc/01/00/45/466010045.db2.gz JOZSVXGQQCYBFK-IBGZPJMESA-N 1 2 329.444 2.454 20 30 EEEDLO CC(C)(C)OC(=O)CN[C@@]1(C)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000349186494 466010050 /nfs/dbraw/zinc/01/00/50/466010050.db2.gz JOZSVXGQQCYBFK-IBGZPJMESA-N 1 2 329.444 2.454 20 30 EEEDLO CCS(=O)(=O)C[C@H](C)N(C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331287704 466015271 /nfs/dbraw/zinc/01/52/71/466015271.db2.gz AISBYCTWDAPBFD-LBPRGKRZSA-N 1 2 327.450 2.307 20 30 EEEDLO C[C@H](CC#N)N(C)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000349388067 466093747 /nfs/dbraw/zinc/09/37/47/466093747.db2.gz UDDFMAJSLKPIJQ-CQSZACIVSA-N 1 2 339.399 2.286 20 30 EEEDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc(C#N)s3)c[nH+]2)CCO1 ZINC000362938710 466134940 /nfs/dbraw/zinc/13/49/40/466134940.db2.gz PXVABFSBKBMQOY-LBPRGKRZSA-N 1 2 342.424 2.170 20 30 EEEDLO CCOc1ccc(OCCCC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000555483203 468479002 /nfs/dbraw/zinc/47/90/02/468479002.db2.gz YRWJFKYQYYDMRW-GOSISDBHSA-N 1 2 333.432 2.204 20 30 EEEDLO CC[C@@H](C#N)N(C)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000594087961 468481716 /nfs/dbraw/zinc/48/17/16/468481716.db2.gz JSAHTTJIVQJDIG-INIZCTEOSA-N 1 2 339.399 2.286 20 30 EEEDLO CN1CC[N@H+](C)C[C@@H]1c1noc(C[C@@H](CC#N)c2ccccc2)n1 ZINC000350064795 466369987 /nfs/dbraw/zinc/36/99/87/466369987.db2.gz IQWRDDJQQILVEW-HZPDHXFCSA-N 1 2 325.416 2.228 20 30 EEEDLO CN1CC[N@@H+](C)C[C@@H]1c1noc(C[C@@H](CC#N)c2ccccc2)n1 ZINC000350064795 466369989 /nfs/dbraw/zinc/36/99/89/466369989.db2.gz IQWRDDJQQILVEW-HZPDHXFCSA-N 1 2 325.416 2.228 20 30 EEEDLO C=CC[C@H](CO)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000340868452 466396820 /nfs/dbraw/zinc/39/68/20/466396820.db2.gz BBUQVAZUKPWLDV-ZDUSSCGKSA-N 1 2 328.372 2.379 20 30 EEEDLO C=CC[C@@H](CO)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000340868451 466397376 /nfs/dbraw/zinc/39/73/76/466397376.db2.gz BBUQVAZUKPWLDV-CYBMUJFWSA-N 1 2 328.372 2.379 20 30 EEEDLO N#C[C@H](C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccncn1 ZINC000354480470 466597491 /nfs/dbraw/zinc/59/74/91/466597491.db2.gz XBKPZNLMXCTYPF-LBPRGKRZSA-N 1 2 334.295 2.061 20 30 EEEDLO CC[C@@H]1CN(C(=O)[C@@]2(C#N)CC23CCCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000333530871 466622776 /nfs/dbraw/zinc/62/27/76/466622776.db2.gz IZFLWVZZCUSUKB-GJYPPUQNSA-N 1 2 331.460 2.030 20 30 EEEDLO CSC[C@@](C)(C#N)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000410863341 466752481 /nfs/dbraw/zinc/75/24/81/466752481.db2.gz PCYBQAQWTJQGJF-OAHLLOKOSA-N 1 2 345.384 2.156 20 30 EEEDLO C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+](C)CC(C)(C)C#N ZINC000433322311 467317706 /nfs/dbraw/zinc/31/77/06/467317706.db2.gz ZVTNLIFHVZIJJQ-CABCVRRESA-N 1 2 345.443 2.155 20 30 EEEDLO C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+](C)CC(C)(C)C#N ZINC000433322311 467317710 /nfs/dbraw/zinc/31/77/10/467317710.db2.gz ZVTNLIFHVZIJJQ-CABCVRRESA-N 1 2 345.443 2.155 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(Oc2ccccn2)cc1 ZINC000414140192 467382331 /nfs/dbraw/zinc/38/23/31/467382331.db2.gz LGSWXDKAOAIYLA-OAHLLOKOSA-N 1 2 327.384 2.459 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(Oc2ccccn2)cc1 ZINC000414140192 467382334 /nfs/dbraw/zinc/38/23/34/467382334.db2.gz LGSWXDKAOAIYLA-OAHLLOKOSA-N 1 2 327.384 2.459 20 30 EEEDLO Cc1cc(Br)ccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414166733 467384948 /nfs/dbraw/zinc/38/49/48/467384948.db2.gz RNDFVDFHYZFBLU-ZDUSSCGKSA-N 1 2 327.222 2.343 20 30 EEEDLO Cc1cc(Br)ccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414166733 467384950 /nfs/dbraw/zinc/38/49/50/467384950.db2.gz RNDFVDFHYZFBLU-ZDUSSCGKSA-N 1 2 327.222 2.343 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000448624728 467596813 /nfs/dbraw/zinc/59/68/13/467596813.db2.gz WIKFPNPATDJSCD-MOPGFXCFSA-N 1 2 344.455 2.321 20 30 EEEDLO N#Cc1cccnc1OC1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000527004990 467652430 /nfs/dbraw/zinc/65/24/30/467652430.db2.gz QFXGIOOBMKYMAB-UHFFFAOYSA-N 1 2 339.399 2.115 20 30 EEEDLO N#Cc1cccnc1OC1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000527004990 467652433 /nfs/dbraw/zinc/65/24/33/467652433.db2.gz QFXGIOOBMKYMAB-UHFFFAOYSA-N 1 2 339.399 2.115 20 30 EEEDLO C[C@H]1CN(c2ccc(CNC(=O)NCC(C)(C)CC#N)c[nH+]2)CCO1 ZINC000457645053 467668802 /nfs/dbraw/zinc/66/88/02/467668802.db2.gz FNIBNONEYVOYKJ-AWEZNQCLSA-N 1 2 345.447 2.046 20 30 EEEDLO C=CC(C)(C)CNC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000455384326 467673226 /nfs/dbraw/zinc/67/32/26/467673226.db2.gz LPZDBDLBNZKENC-GOSISDBHSA-N 1 2 339.480 2.304 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000455406217 467675997 /nfs/dbraw/zinc/67/59/97/467675997.db2.gz HSIJNUYSDOJUHT-HJYXSIQESA-N 1 2 341.455 2.371 20 30 EEEDLO C#CC[C@H]([NH2+][C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)OC ZINC000496707750 467697144 /nfs/dbraw/zinc/69/71/44/467697144.db2.gz IJRUMTRAZRZJKG-SOUVJXGZSA-N 1 2 338.448 2.319 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2ncc(C#N)cn2)C1 ZINC000497224735 467893158 /nfs/dbraw/zinc/89/31/58/467893158.db2.gz CMFAEZSLGJGUMP-QGZVFWFLSA-N 1 2 331.420 2.085 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ncc(C#N)cn2)C1 ZINC000497224735 467893162 /nfs/dbraw/zinc/89/31/62/467893162.db2.gz CMFAEZSLGJGUMP-QGZVFWFLSA-N 1 2 331.420 2.085 20 30 EEEDLO Cc1cccc([C@@H](CNC(=O)NCC(C)(C)C#N)[NH+]2CCOCC2)c1 ZINC000479310309 467999931 /nfs/dbraw/zinc/99/99/31/467999931.db2.gz QDYQTYNXKWIEBL-QGZVFWFLSA-N 1 2 344.459 2.217 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000530882802 468014765 /nfs/dbraw/zinc/01/47/65/468014765.db2.gz CQWFNJJDNGKHTI-UHFFFAOYSA-N 1 2 330.428 2.458 20 30 EEEDLO CC(C)(C)OC(=O)N1CCC(CN=NC2=[NH+][C@H]3CCCC[C@@H]3N2)CC1 ZINC000493994647 468015319 /nfs/dbraw/zinc/01/53/19/468015319.db2.gz FSSMFQRMAHNJSW-GJZGRUSLSA-N 1 2 349.479 2.479 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1sc(-c2ncccn2)nc1C ZINC000490617497 468226479 /nfs/dbraw/zinc/22/64/79/468226479.db2.gz QBJZUGUBZCVUNH-ZDUSSCGKSA-N 1 2 342.424 2.163 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1sc(-c2ncccn2)nc1C ZINC000490617497 468226481 /nfs/dbraw/zinc/22/64/81/468226481.db2.gz QBJZUGUBZCVUNH-ZDUSSCGKSA-N 1 2 342.424 2.163 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000597400778 468545059 /nfs/dbraw/zinc/54/50/59/468545059.db2.gz BWUGQYJERZREEF-HUUCEWRRSA-N 1 2 346.394 2.102 20 30 EEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000594359914 468562112 /nfs/dbraw/zinc/56/21/12/468562112.db2.gz RFKSQEABKIWMDO-CQSZACIVSA-N 1 2 326.400 2.135 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000594359914 468562116 /nfs/dbraw/zinc/56/21/16/468562116.db2.gz RFKSQEABKIWMDO-CQSZACIVSA-N 1 2 326.400 2.135 20 30 EEEDLO Cc1cc(N2CC[C@](O)(CC#N)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000591975707 468587845 /nfs/dbraw/zinc/58/78/45/468587845.db2.gz IYNXREPDDFURBT-QGZVFWFLSA-N 1 2 339.355 2.215 20 30 EEEDLO COc1ccc(-c2ccc(N3CCC(C(N)=O)CC3)[nH+]c2)cc1C#N ZINC000600790150 468658387 /nfs/dbraw/zinc/65/83/87/468658387.db2.gz WMRVJNFTPZLQGF-UHFFFAOYSA-N 1 2 336.395 2.331 20 30 EEEDLO N#C[C@@H]1CC[C@H](n2cc(C[NH+]3CCN(c4ccccc4)CC3)nn2)C1 ZINC000600972728 468702073 /nfs/dbraw/zinc/70/20/73/468702073.db2.gz DGQLYYWOTYOWAU-APWZRJJASA-N 1 2 336.443 2.465 20 30 EEEDLO N#Cc1ccc(NCC(=O)NCc2ccc[nH+]c2N2CCCC2)cc1 ZINC000597940294 468718033 /nfs/dbraw/zinc/71/80/33/468718033.db2.gz HWAIAACZAKCVAX-UHFFFAOYSA-N 1 2 335.411 2.282 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000571250936 468759163 /nfs/dbraw/zinc/75/91/63/468759163.db2.gz BDWOUJVMZGDUFX-OAHLLOKOSA-N 1 2 343.349 2.076 20 30 EEEDLO Cc1cc(N2CCSCC2)ccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000583990068 468781630 /nfs/dbraw/zinc/78/16/30/468781630.db2.gz CAGVNZOIIZQEFU-KRWDZBQOSA-N 1 2 348.516 2.167 20 30 EEEDLO Cc1cc(N2CCSCC2)ccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000583990068 468781636 /nfs/dbraw/zinc/78/16/36/468781636.db2.gz CAGVNZOIIZQEFU-KRWDZBQOSA-N 1 2 348.516 2.167 20 30 EEEDLO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)CCC(C)(C)C#N)C2 ZINC000571569234 468807009 /nfs/dbraw/zinc/80/70/09/468807009.db2.gz XPTUGQAWBFUGSI-UHFFFAOYSA-N 1 2 338.477 2.171 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000572093122 468883471 /nfs/dbraw/zinc/88/34/71/468883471.db2.gz HRAGRRCDSSIVIE-CVEARBPZSA-N 1 2 330.432 2.215 20 30 EEEDLO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593154702 468889714 /nfs/dbraw/zinc/88/97/14/468889714.db2.gz UPZYUORYHAQLKC-MEBBXXQBSA-N 1 2 327.787 2.206 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000595822422 469028165 /nfs/dbraw/zinc/02/81/65/469028165.db2.gz UBZWHMHMVFTQHD-UHFFFAOYSA-N 1 2 325.412 2.388 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000595822422 469028173 /nfs/dbraw/zinc/02/81/73/469028173.db2.gz UBZWHMHMVFTQHD-UHFFFAOYSA-N 1 2 325.412 2.388 20 30 EEEDLO CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC000610725866 469052305 /nfs/dbraw/zinc/05/23/05/469052305.db2.gz MTAYFPFKEOVENZ-CQSZACIVSA-N 1 2 341.415 2.344 20 30 EEEDLO CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC000610725866 469052310 /nfs/dbraw/zinc/05/23/10/469052310.db2.gz MTAYFPFKEOVENZ-CQSZACIVSA-N 1 2 341.415 2.344 20 30 EEEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598947254 469062757 /nfs/dbraw/zinc/06/27/57/469062757.db2.gz LBEWNOICJYXGPU-QAPCUYQASA-N 1 2 338.411 2.289 20 30 EEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000602861998 469126592 /nfs/dbraw/zinc/12/65/92/469126592.db2.gz IMMBKNWBDCTYAM-DZGCQCFKSA-N 1 2 329.400 2.013 20 30 EEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCOC[C@@H]2C)cc1 ZINC000610991042 469132635 /nfs/dbraw/zinc/13/26/35/469132635.db2.gz YWRHFQJOVSZELS-INIZCTEOSA-N 1 2 345.443 2.443 20 30 EEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCOC[C@@H]2C)cc1 ZINC000610991042 469132637 /nfs/dbraw/zinc/13/26/37/469132637.db2.gz YWRHFQJOVSZELS-INIZCTEOSA-N 1 2 345.443 2.443 20 30 EEEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](c1nccn1C)C(C)(C)CO ZINC000602882729 469140503 /nfs/dbraw/zinc/14/05/03/469140503.db2.gz PDCBFZGLWDNXRO-INIZCTEOSA-N 1 2 328.416 2.150 20 30 EEEDLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CCN(CCC#N)CC2)cc1 ZINC000611173946 469179991 /nfs/dbraw/zinc/17/99/91/469179991.db2.gz STELSFOHRIKUCN-IRXDYDNUSA-N 1 2 342.487 2.346 20 30 EEEDLO N#C[C@@]1(C(=O)N2CC[NH+](CCc3ccncc3)CC2)CC12CCCC2 ZINC000602198410 469237822 /nfs/dbraw/zinc/23/78/22/469237822.db2.gz KYFQJGOXCNVFMA-HXUWFJFHSA-N 1 2 338.455 2.242 20 30 EEEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1Cc1cc(C#N)ccc1F ZINC000599446072 469260937 /nfs/dbraw/zinc/26/09/37/469260937.db2.gz YXVXZFOSAKYPLG-GOSISDBHSA-N 1 2 336.374 2.302 20 30 EEEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1Cc1ccc(CC#N)cc1 ZINC000599446667 469261010 /nfs/dbraw/zinc/26/10/10/469261010.db2.gz WCXUNJQZKBVYFP-LJQANCHMSA-N 1 2 332.411 2.357 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1c(C#N)cnn1-c1ccccc1 ZINC000603373796 469366189 /nfs/dbraw/zinc/36/61/89/469366189.db2.gz GEVVFSXGUVLWNG-QAPCUYQASA-N 1 2 337.427 2.043 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000618846671 469455380 /nfs/dbraw/zinc/45/53/80/469455380.db2.gz MBAPDFDBBGYJEI-NVXWUHKLSA-N 1 2 335.411 2.478 20 30 EEEDLO N#C[C@@H]1CCC[C@H]1NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000613163979 469645330 /nfs/dbraw/zinc/64/53/30/469645330.db2.gz PDOKTCKZDTUXJG-DZGCQCFKSA-N 1 2 333.461 2.053 20 30 EEEDLO N#C[C@@H]1CCC[C@H]1NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000613163979 469645332 /nfs/dbraw/zinc/64/53/32/469645332.db2.gz PDOKTCKZDTUXJG-DZGCQCFKSA-N 1 2 333.461 2.053 20 30 EEEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000613163982 469645881 /nfs/dbraw/zinc/64/58/81/469645881.db2.gz PDOKTCKZDTUXJG-ZFWWWQNUSA-N 1 2 333.461 2.053 20 30 EEEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000613163982 469645885 /nfs/dbraw/zinc/64/58/85/469645885.db2.gz PDOKTCKZDTUXJG-ZFWWWQNUSA-N 1 2 333.461 2.053 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000613638432 469754839 /nfs/dbraw/zinc/75/48/39/469754839.db2.gz HLWDOMDHGTUEOK-MRXNPFEDSA-N 1 2 335.492 2.298 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000613638432 469754843 /nfs/dbraw/zinc/75/48/43/469754843.db2.gz HLWDOMDHGTUEOK-MRXNPFEDSA-N 1 2 335.492 2.298 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000609486035 469933139 /nfs/dbraw/zinc/93/31/39/469933139.db2.gz BYSHSYQJGLFFFX-QTMHVTGLSA-N 1 2 348.535 2.482 20 30 EEEDLO C=CCCn1cc(CNc2nc(-c3ccncc3)[nH+]c(C)c2C)nn1 ZINC000631313476 470117457 /nfs/dbraw/zinc/11/74/57/470117457.db2.gz MYPAYEKUSAJTDV-UHFFFAOYSA-N 1 2 335.415 2.357 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)Cc2ccc3ccccc3c2)nn1 ZINC000641226452 471248576 /nfs/dbraw/zinc/24/85/76/471248576.db2.gz JZPXIGOVVIXIRT-FQEVSTJZSA-N 1 2 334.423 2.148 20 30 EEEDLO C=CCN(C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@@H](C)COC ZINC000663591289 471440483 /nfs/dbraw/zinc/44/04/83/471440483.db2.gz MWHPJHXFOYGJMM-HNNXBMFYSA-N 1 2 332.448 2.414 20 30 EEEDLO C=CCCn1cc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)nn1 ZINC000653566245 471667477 /nfs/dbraw/zinc/66/74/77/471667477.db2.gz OGDSHZKRXMTMTE-GOSISDBHSA-N 1 2 334.464 2.404 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC3(COC(=O)N3)CC2)c1C ZINC000495137570 534434220 /nfs/dbraw/zinc/43/42/20/534434220.db2.gz GPNWBZMBTFWZID-UHFFFAOYSA-N 1 2 331.416 2.048 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000171706090 526622689 /nfs/dbraw/zinc/62/26/89/526622689.db2.gz AFQYQCCAUHIREZ-JKSUJKDBSA-N 1 2 331.460 2.065 20 30 EEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cc(Br)ccc1F ZINC000112336079 526689455 /nfs/dbraw/zinc/68/94/55/526689455.db2.gz YONGAMCZKXBTNA-UHFFFAOYSA-N 1 2 346.200 2.292 20 30 EEEDLO C=CC[C@@H](C)NC(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000116971858 527022985 /nfs/dbraw/zinc/02/29/85/527022985.db2.gz KDIHWTWWVGVNQA-OAHLLOKOSA-N 1 2 347.459 2.496 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000364852926 527615436 /nfs/dbraw/zinc/61/54/36/527615436.db2.gz JEVOXVOJZPGOKY-LJQANCHMSA-N 1 2 348.491 2.166 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CCC[N@@H+](Cc2nccn2CC)CC1 ZINC000364852926 527615443 /nfs/dbraw/zinc/61/54/43/527615443.db2.gz JEVOXVOJZPGOKY-LJQANCHMSA-N 1 2 348.491 2.166 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CCC[N@H+](Cc2nccn2CC)CC1 ZINC000364852926 527615444 /nfs/dbraw/zinc/61/54/44/527615444.db2.gz JEVOXVOJZPGOKY-LJQANCHMSA-N 1 2 348.491 2.166 20 30 EEEDLO C[C@@H]1C[N@H+](CCNC(=S)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000726490061 576268839 /nfs/dbraw/zinc/26/88/39/576268839.db2.gz HPJGQUOEKCKGLV-LLVKDONJSA-N 1 2 338.864 2.219 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNC(=S)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000726490061 576268840 /nfs/dbraw/zinc/26/88/40/576268840.db2.gz HPJGQUOEKCKGLV-LLVKDONJSA-N 1 2 338.864 2.219 20 30 EEEDLO CN(C)c1ccc(C=[NH+]Nc2ccc(-n3cccn3)nn2)cc1F ZINC000727651195 576442302 /nfs/dbraw/zinc/44/23/02/576442302.db2.gz MOVUMTNYYXDWLI-UHFFFAOYSA-N 1 2 325.351 2.313 20 30 EEEDLO CC(=[NH+]Nc1ccccc1S(N)(=O)=O)c1ccccc1N(C)C ZINC000773125713 577317780 /nfs/dbraw/zinc/31/77/80/577317780.db2.gz OGYSSQZEOQHSKH-UHFFFAOYSA-N 1 2 332.429 2.236 20 30 EEEDLO C#C[C@H](NC(=O)NCCCn1c(C)[nH+]c2ccccc21)[C@H]1CCCO1 ZINC000773216072 577323645 /nfs/dbraw/zinc/32/36/45/577323645.db2.gz XOTPDYFPSPIYOB-MAUKXSAKSA-N 1 2 340.427 2.215 20 30 EEEDLO C#C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@H]1CCCO1 ZINC000773558006 577350891 /nfs/dbraw/zinc/35/08/91/577350891.db2.gz LXQASOJOISTGQU-QZTJIDSGSA-N 1 2 344.459 2.266 20 30 EEEDLO C#CCOc1ccccc1C[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000775984101 577450162 /nfs/dbraw/zinc/45/01/62/577450162.db2.gz OJXJILWEWRSJFU-UHFFFAOYSA-N 1 2 329.444 2.324 20 30 EEEDLO Cc1cccc2c1[C@H](C)CC2=NNC(=S)NCC[NH+]1CCOCC1 ZINC000766683605 577523246 /nfs/dbraw/zinc/52/32/46/577523246.db2.gz YULYQLKTVQPULM-CQSZACIVSA-N 1 2 346.500 2.003 20 30 EEEDLO COC[C@]1(C)CC(=O)N(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000767986706 577548660 /nfs/dbraw/zinc/54/86/60/577548660.db2.gz LONCCWWWMNAUAB-HXUWFJFHSA-N 1 2 339.439 2.490 20 30 EEEDLO COC[C@]1(C)CC(=O)N(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000767986706 577548661 /nfs/dbraw/zinc/54/86/61/577548661.db2.gz LONCCWWWMNAUAB-HXUWFJFHSA-N 1 2 339.439 2.490 20 30 EEEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]NC[C@@H](C)C#N ZINC000771103609 577609882 /nfs/dbraw/zinc/60/98/82/577609882.db2.gz PCRYQWIOIAFCNL-NSHDSACASA-N 1 2 332.367 2.044 20 30 EEEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CCO[C@H]([C@@H]4CCCO4)C3)n2)cc1 ZINC000756858956 577851686 /nfs/dbraw/zinc/85/16/86/577851686.db2.gz XABVHXFORBOZHO-OALUTQOASA-N 1 2 338.411 2.259 20 30 EEEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CCO[C@H]([C@@H]4CCCO4)C3)n2)cc1 ZINC000756858956 577851687 /nfs/dbraw/zinc/85/16/87/577851687.db2.gz XABVHXFORBOZHO-OALUTQOASA-N 1 2 338.411 2.259 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)CC1 ZINC000744366302 577896673 /nfs/dbraw/zinc/89/66/73/577896673.db2.gz LYSJMKRNNZUEBA-UHFFFAOYSA-N 1 2 341.455 2.259 20 30 EEEDLO N#Cc1cccc(N[NH+]=Cc2c(N3CCOCC3)nc3ccccn32)c1 ZINC000741805866 578124713 /nfs/dbraw/zinc/12/47/13/578124713.db2.gz DTSSDILDLYYRNR-UHFFFAOYSA-N 1 2 346.394 2.489 20 30 EEEDLO CC[N@H+](CC(=O)/C=C1\N(C)c2ccccc2C1(C)C)CC(=O)N(C)C ZINC000735869438 578172060 /nfs/dbraw/zinc/17/20/60/578172060.db2.gz ICHOCADIBUDZGM-PDGQHHTCSA-N 1 2 343.471 2.277 20 30 EEEDLO CC[N@@H+](CC(=O)/C=C1\N(C)c2ccccc2C1(C)C)CC(=O)N(C)C ZINC000735869438 578172061 /nfs/dbraw/zinc/17/20/61/578172061.db2.gz ICHOCADIBUDZGM-PDGQHHTCSA-N 1 2 343.471 2.277 20 30 EEEDLO C=C(Cl)CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000736403684 578201430 /nfs/dbraw/zinc/20/14/30/578201430.db2.gz YXDKUMURCLEYMS-LBPRGKRZSA-N 1 2 329.853 2.173 20 30 EEEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)c1 ZINC000820841617 599438843 /nfs/dbraw/zinc/43/88/43/599438843.db2.gz APPSHFYADOYFBC-ZDUSSCGKSA-N 1 2 338.371 2.430 20 30 EEEDLO Nc1ncccc1C=[NH+]Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000822907560 606989583 /nfs/dbraw/zinc/98/95/83/606989583.db2.gz SUBQOUZWFUYQNV-UHFFFAOYSA-N 1 2 348.292 2.309 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969361800 674886700 /nfs/dbraw/zinc/88/67/00/674886700.db2.gz MKBWKXWCGLESPD-NSHDSACASA-N 1 2 342.374 2.244 20 30 EEEDLO C[C@H](NC(=O)c1ccnc(F)c1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969381184 674920736 /nfs/dbraw/zinc/92/07/36/674920736.db2.gz LEMPWJZQNVCNEX-ZDUSSCGKSA-N 1 2 338.386 2.343 20 30 EEEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](CC=C(Cl)Cl)C1 ZINC000969525751 675092214 /nfs/dbraw/zinc/09/22/14/675092214.db2.gz FCKXKSBOUJWEEQ-SECBINFHSA-N 1 2 327.215 2.255 20 30 EEEDLO C[C@@H](NC(=O)[C@H]1CC12CC2)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970495307 675937267 /nfs/dbraw/zinc/93/72/67/675937267.db2.gz NOLXIYBSUDQWNU-MLGOLLRUSA-N 1 2 327.403 2.434 20 30 EEEDLO Cc1cc(C(N)=[NH+]OCC(=O)NCc2ccc(F)cc2)ccc1F ZINC000121070969 675999107 /nfs/dbraw/zinc/99/91/07/675999107.db2.gz UPYOJYPYIZCGRA-UHFFFAOYSA-N 1 2 333.338 2.227 20 30 EEEDLO C=C1CC(C)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cnn(CC)n2)C1 ZINC001021373661 676022018 /nfs/dbraw/zinc/02/20/18/676022018.db2.gz RXNBAYXCWVSSIE-ZXFUBFMLSA-N 1 2 343.475 2.266 20 30 EEEDLO C=C1CC(C)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cnn(CC)n2)C1 ZINC001021373661 676022019 /nfs/dbraw/zinc/02/20/19/676022019.db2.gz RXNBAYXCWVSSIE-ZXFUBFMLSA-N 1 2 343.475 2.266 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH2+]Cc3csc(NC(C)=O)n3)C2)C1 ZINC000969882894 675280016 /nfs/dbraw/zinc/28/00/16/675280016.db2.gz HTOBTWCBBSSEOH-CYBMUJFWSA-N 1 2 348.472 2.148 20 30 EEEDLO C=C1CCC(C(=O)N[C@H](C)C2C[NH+](Cc3cc(OC)no3)C2)CC1 ZINC000970376833 675827676 /nfs/dbraw/zinc/82/76/76/675827676.db2.gz NUHJODOFRIOCDG-CYBMUJFWSA-N 1 2 333.432 2.366 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC000970957639 676270751 /nfs/dbraw/zinc/27/07/51/676270751.db2.gz AIURTNRHYGGXJB-GOSISDBHSA-N 1 2 338.386 2.439 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC000970957639 676270752 /nfs/dbraw/zinc/27/07/52/676270752.db2.gz AIURTNRHYGGXJB-GOSISDBHSA-N 1 2 338.386 2.439 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)c(C)s1 ZINC000971287412 676471378 /nfs/dbraw/zinc/47/13/78/676471378.db2.gz DDYGQIBKOGITHM-CQSZACIVSA-N 1 2 343.456 2.306 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)c(C)s1 ZINC000971287412 676471379 /nfs/dbraw/zinc/47/13/79/676471379.db2.gz DDYGQIBKOGITHM-CQSZACIVSA-N 1 2 343.456 2.306 20 30 EEEDLO CC(C)c1ocnc1C[N@H+](C)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971377076 676509144 /nfs/dbraw/zinc/50/91/44/676509144.db2.gz UEJOBFHXKHOIJF-HNNXBMFYSA-N 1 2 341.415 2.344 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+](C)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971377076 676509145 /nfs/dbraw/zinc/50/91/45/676509145.db2.gz UEJOBFHXKHOIJF-HNNXBMFYSA-N 1 2 341.415 2.344 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)C2(C(F)F)CC2)C1 ZINC000971535888 676614979 /nfs/dbraw/zinc/61/49/79/676614979.db2.gz WCQKJNROYROJNR-JTQLQIEISA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)C2(C(F)F)CC2)C1 ZINC000971535888 676614981 /nfs/dbraw/zinc/61/49/81/676614981.db2.gz WCQKJNROYROJNR-JTQLQIEISA-N 1 2 337.208 2.473 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@@H]([N@@H+](C)[C@H](C)c3ncc(C)o3)C2)c1 ZINC000972285839 678496517 /nfs/dbraw/zinc/49/65/17/678496517.db2.gz WWNHSIIKWBGTAI-RHSMWYFYSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@@H]([N@H+](C)[C@H](C)c3ncc(C)o3)C2)c1 ZINC000972285839 678496521 /nfs/dbraw/zinc/49/65/21/678496521.db2.gz WWNHSIIKWBGTAI-RHSMWYFYSA-N 1 2 338.411 2.267 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(Cc4ccccc4)CC3)C2)C1 ZINC000972413996 678706365 /nfs/dbraw/zinc/70/63/65/678706365.db2.gz RVPRVAFBUPFMOW-OAQYLSRUSA-N 1 2 340.467 2.499 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(Cc4ccccc4)CC3)C2)C1 ZINC000972413996 678706369 /nfs/dbraw/zinc/70/63/69/678706369.db2.gz RVPRVAFBUPFMOW-OAQYLSRUSA-N 1 2 340.467 2.499 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cccc(C(C)C)c3)C2)C1 ZINC000972449492 678762980 /nfs/dbraw/zinc/76/29/80/678762980.db2.gz LCFVNSNLXRULIG-OAQYLSRUSA-N 1 2 340.467 2.289 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cccc(C(C)C)c3)C2)C1 ZINC000972449492 678762983 /nfs/dbraw/zinc/76/29/83/678762983.db2.gz LCFVNSNLXRULIG-OAQYLSRUSA-N 1 2 340.467 2.289 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(c4ccccc4)CCC3)C2)C1 ZINC000972455442 678777138 /nfs/dbraw/zinc/77/71/38/678777138.db2.gz CHQUOYZFEAEVEW-FQEVSTJZSA-N 1 2 338.451 2.045 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(c4ccccc4)CCC3)C2)C1 ZINC000972455442 678777141 /nfs/dbraw/zinc/77/71/41/678777141.db2.gz CHQUOYZFEAEVEW-FQEVSTJZSA-N 1 2 338.451 2.045 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](c3ccccc3)C3CC3)C2)C1 ZINC000972463696 678798322 /nfs/dbraw/zinc/79/83/22/678798322.db2.gz WLKYWZWKRZGYBF-PZJWPPBQSA-N 1 2 338.451 2.117 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](c3ccccc3)C3CC3)C2)C1 ZINC000972463696 678798328 /nfs/dbraw/zinc/79/83/28/678798328.db2.gz WLKYWZWKRZGYBF-PZJWPPBQSA-N 1 2 338.451 2.117 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2cscn2)C1 ZINC000972490147 678897341 /nfs/dbraw/zinc/89/73/41/678897341.db2.gz VRTQCLKKNJKJBW-GFCCVEGCSA-N 1 2 344.278 2.127 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2cscn2)C1 ZINC000972490147 678897343 /nfs/dbraw/zinc/89/73/43/678897343.db2.gz VRTQCLKKNJKJBW-GFCCVEGCSA-N 1 2 344.278 2.127 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(C(C)C)c3C)C2)C1 ZINC000972512965 679130303 /nfs/dbraw/zinc/13/03/03/679130303.db2.gz CJSMONJGIZZZME-FQEVSTJZSA-N 1 2 343.471 2.318 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(C(C)C)c3C)C2)C1 ZINC000972512965 679130305 /nfs/dbraw/zinc/13/03/05/679130305.db2.gz CJSMONJGIZZZME-FQEVSTJZSA-N 1 2 343.471 2.318 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cc3cccs3)C2)C1 ZINC000972572332 679328165 /nfs/dbraw/zinc/32/81/65/679328165.db2.gz HIBQRELXUPFDHJ-LPHOPBHVSA-N 1 2 346.496 2.253 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cc3cccs3)C2)C1 ZINC000972572332 679328166 /nfs/dbraw/zinc/32/81/66/679328166.db2.gz HIBQRELXUPFDHJ-LPHOPBHVSA-N 1 2 346.496 2.253 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3cccc(C)c3)C2)C1 ZINC000972574046 679334126 /nfs/dbraw/zinc/33/41/26/679334126.db2.gz WWAUGRNZEGZRKK-NQIIRXRSSA-N 1 2 340.467 2.425 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3cccc(C)c3)C2)C1 ZINC000972574046 679334129 /nfs/dbraw/zinc/33/41/29/679334129.db2.gz WWAUGRNZEGZRKK-NQIIRXRSSA-N 1 2 340.467 2.425 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)OC3CCCC3)C2)C1 ZINC000972578255 679340388 /nfs/dbraw/zinc/34/03/88/679340388.db2.gz RIUIKHWSSPDGCJ-PKOBYXMFSA-N 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/nfs/dbraw/zinc/46/76/23/1187467623.db2.gz BAYAZCNHUFQYRA-UHFFFAOYSA-N 1 2 330.363 2.198 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H](C)Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001098245166 1187587311 /nfs/dbraw/zinc/58/73/11/1187587311.db2.gz ZIWYCKCGVGBLJT-LBPRGKRZSA-N 1 2 328.420 2.026 20 30 EEEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ncccc1F ZINC001272802911 1193506352 /nfs/dbraw/zinc/50/63/52/1193506352.db2.gz PYYJSUYMLCRHOP-GOSISDBHSA-N 1 2 330.407 2.481 20 30 EEEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ncccc1F ZINC001272802911 1193506354 /nfs/dbraw/zinc/50/63/54/1193506354.db2.gz PYYJSUYMLCRHOP-GOSISDBHSA-N 1 2 330.407 2.481 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCC[C@@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001105679445 1188641967 /nfs/dbraw/zinc/64/19/67/1188641967.db2.gz XHZWYTCJNDJCNV-HUUCEWRRSA-N 1 2 346.479 2.299 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4nccn4C)C[C@H]32)CC1 ZINC001076208853 1188783280 /nfs/dbraw/zinc/78/32/80/1188783280.db2.gz NFWSFFUHHHSAOD-DLBZAZTESA-N 1 2 328.460 2.199 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4nccn4C)C[C@H]32)CC1 ZINC001076208853 1188783283 /nfs/dbraw/zinc/78/32/83/1188783283.db2.gz NFWSFFUHHHSAOD-DLBZAZTESA-N 1 2 328.460 2.199 20 30 EEEDLO C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3n[nH]c(C(F)(F)F)c3C)[C@@H]2C1 ZINC001076322476 1188853577 /nfs/dbraw/zinc/85/35/77/1188853577.db2.gz ZIZFXAQDSVNQBD-WDEREUQCSA-N 1 2 328.338 2.069 20 30 EEEDLO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3n[nH]c(C(F)(F)F)c3C)[C@@H]2C1 ZINC001076322476 1188853581 /nfs/dbraw/zinc/85/35/81/1188853581.db2.gz ZIZFXAQDSVNQBD-WDEREUQCSA-N 1 2 328.338 2.069 20 30 EEEDLO C=C(C)CN1CC2(C[NH+](Cc3cccc4cccnc43)C2)OCC1=O ZINC001272875236 1193588917 /nfs/dbraw/zinc/58/89/17/1193588917.db2.gz LTJMCTAYTBCSQX-UHFFFAOYSA-N 1 2 337.423 2.224 20 30 EEEDLO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3sc(Cl)nc3Cl)[C@@H]2C1 ZINC001076578853 1189010158 /nfs/dbraw/zinc/01/01/58/1189010158.db2.gz XIKHGQVGDIHYNN-DTWKUNHWSA-N 1 2 330.240 2.229 20 30 EEEDLO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3sc(Cl)nc3Cl)[C@@H]2C1 ZINC001076578853 1189010164 /nfs/dbraw/zinc/01/01/64/1189010164.db2.gz XIKHGQVGDIHYNN-DTWKUNHWSA-N 1 2 330.240 2.229 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CCSCC)CC2)C1 ZINC001105691495 1189397953 /nfs/dbraw/zinc/39/79/53/1189397953.db2.gz RHUNRUJHFJJTHT-UHFFFAOYSA-N 1 2 326.506 2.398 20 30 EEEDLO C=CC1(CC(=O)NCC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001077332642 1189477493 /nfs/dbraw/zinc/47/74/93/1189477493.db2.gz XRAGJVKIMMSVCZ-HNNXBMFYSA-N 1 2 346.475 2.490 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1nc(COC)no1 ZINC001272938391 1193627668 /nfs/dbraw/zinc/62/76/68/1193627668.db2.gz HHHVOZHCPRFTDC-UONOGXRCSA-N 1 2 336.436 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCNC(=O)C1CCCCC1 ZINC001483397529 1190442967 /nfs/dbraw/zinc/44/29/67/1190442967.db2.gz WZAFWMVEJMRAKI-CQSZACIVSA-N 1 2 343.899 2.262 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCNC(=O)C1CCCCC1 ZINC001483397529 1190442969 /nfs/dbraw/zinc/44/29/69/1190442969.db2.gz WZAFWMVEJMRAKI-CQSZACIVSA-N 1 2 343.899 2.262 20 30 EEEDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1C#N ZINC001272991391 1194299723 /nfs/dbraw/zinc/29/97/23/1194299723.db2.gz UMGZHRZNNJIWFL-YWZLYKJASA-N 1 2 339.439 2.493 20 30 EEEDLO CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1C#N ZINC001272991391 1194299727 /nfs/dbraw/zinc/29/97/27/1194299727.db2.gz UMGZHRZNNJIWFL-YWZLYKJASA-N 1 2 339.439 2.493 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001033470385 1194610622 /nfs/dbraw/zinc/61/06/22/1194610622.db2.gz XBATUBHUQBRQAF-HNNXBMFYSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001033470385 1194610623 /nfs/dbraw/zinc/61/06/23/1194610623.db2.gz XBATUBHUQBRQAF-HNNXBMFYSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2NC(=O)c3ccccc32)C1 ZINC001033520669 1194670012 /nfs/dbraw/zinc/67/00/12/1194670012.db2.gz UPSHRUZORYSGLY-XJKSGUPXSA-N 1 2 347.846 2.146 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2NC(=O)c3ccccc32)C1 ZINC001033520669 1194670014 /nfs/dbraw/zinc/67/00/14/1194670014.db2.gz UPSHRUZORYSGLY-XJKSGUPXSA-N 1 2 347.846 2.146 20 30 EEEDLO Cc1conc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033568261 1194725507 /nfs/dbraw/zinc/72/55/07/1194725507.db2.gz VPXTUYZIPBVUOW-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1conc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033568261 1194725510 /nfs/dbraw/zinc/72/55/10/1194725510.db2.gz VPXTUYZIPBVUOW-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001033604440 1194943016 /nfs/dbraw/zinc/94/30/16/1194943016.db2.gz DDPGIBKGWKGRFZ-LBPRGKRZSA-N 1 2 346.818 2.234 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001033604440 1194943019 /nfs/dbraw/zinc/94/30/19/1194943019.db2.gz DDPGIBKGWKGRFZ-LBPRGKRZSA-N 1 2 346.818 2.234 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2nccc(C)n2)C1 ZINC001033616753 1194957255 /nfs/dbraw/zinc/95/72/55/1194957255.db2.gz KZQBSKPVBULAGM-LJQANCHMSA-N 1 2 348.450 2.042 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2nccc(C)n2)C1 ZINC001033616753 1194957258 /nfs/dbraw/zinc/95/72/58/1194957258.db2.gz KZQBSKPVBULAGM-LJQANCHMSA-N 1 2 348.450 2.042 20 30 EEEDLO C=CCn1cccc1C(=O)N(CC)[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001033853400 1195390598 /nfs/dbraw/zinc/39/05/98/1195390598.db2.gz ALUMOWTWPDBRQV-KRWDZBQOSA-N 1 2 341.459 2.144 20 30 EEEDLO C=CCn1cccc1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001033853400 1195390602 /nfs/dbraw/zinc/39/06/02/1195390602.db2.gz ALUMOWTWPDBRQV-KRWDZBQOSA-N 1 2 341.459 2.144 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cn3cccnc3n2)C1 ZINC001033888396 1195430044 /nfs/dbraw/zinc/43/00/44/1195430044.db2.gz OBINFHUZUHBJLU-CYBMUJFWSA-N 1 2 333.823 2.018 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cn3cccnc3n2)C1 ZINC001033888396 1195430046 /nfs/dbraw/zinc/43/00/46/1195430046.db2.gz OBINFHUZUHBJLU-CYBMUJFWSA-N 1 2 333.823 2.018 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001034110627 1195791308 /nfs/dbraw/zinc/79/13/08/1195791308.db2.gz OXNBRXSTLNPKGQ-UONOGXRCSA-N 1 2 345.281 2.435 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001034110627 1195791311 /nfs/dbraw/zinc/79/13/11/1195791311.db2.gz OXNBRXSTLNPKGQ-UONOGXRCSA-N 1 2 345.281 2.435 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001034404504 1196197025 /nfs/dbraw/zinc/19/70/25/1196197025.db2.gz SQVKDWJQRVQGLH-XBFCOCLRSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001034404504 1196197026 /nfs/dbraw/zinc/19/70/26/1196197026.db2.gz SQVKDWJQRVQGLH-XBFCOCLRSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(C)CCC(=O)N(C)[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001078976742 1196551846 /nfs/dbraw/zinc/55/18/46/1196551846.db2.gz ZCDPMCAJHBBCEN-MRXNPFEDSA-N 1 2 346.475 2.456 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001108153941 1196696350 /nfs/dbraw/zinc/69/63/50/1196696350.db2.gz UZHPRIRMFNVNQS-LIRRHRJNSA-N 1 2 330.428 2.189 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001108153941 1196696351 /nfs/dbraw/zinc/69/63/51/1196696351.db2.gz UZHPRIRMFNVNQS-LIRRHRJNSA-N 1 2 330.428 2.189 20 30 EEEDLO O=C(Cc1cncs1)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001014821807 1224402006 /nfs/dbraw/zinc/40/20/06/1224402006.db2.gz POZBEESPLXYADJ-MRXNPFEDSA-N 1 2 343.427 2.067 20 30 EEEDLO O=C(Cc1cncs1)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001014821807 1224402009 /nfs/dbraw/zinc/40/20/09/1224402009.db2.gz POZBEESPLXYADJ-MRXNPFEDSA-N 1 2 343.427 2.067 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001014826519 1224408725 /nfs/dbraw/zinc/40/87/25/1224408725.db2.gz GIBYETOLKFVBET-QGZVFWFLSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001014826519 1224408729 /nfs/dbraw/zinc/40/87/29/1224408729.db2.gz GIBYETOLKFVBET-QGZVFWFLSA-N 1 2 345.406 2.439 20 30 EEEDLO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001273245717 1197675137 /nfs/dbraw/zinc/67/51/37/1197675137.db2.gz IIXXCUUSZCBTTN-KRWDZBQOSA-N 1 2 349.866 2.253 20 30 EEEDLO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001273245717 1197675139 /nfs/dbraw/zinc/67/51/39/1197675139.db2.gz IIXXCUUSZCBTTN-KRWDZBQOSA-N 1 2 349.866 2.253 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1ccccc1OC ZINC001018186991 1224441395 /nfs/dbraw/zinc/44/13/95/1224441395.db2.gz JHHPJZGYCVYROO-ZACQAIPSSA-N 1 2 326.440 2.497 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1ccccc1OC ZINC001018186991 1224441399 /nfs/dbraw/zinc/44/13/99/1224441399.db2.gz JHHPJZGYCVYROO-ZACQAIPSSA-N 1 2 326.440 2.497 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[NH2+]Cc1nc(CC(F)(F)F)no1 ZINC001752900439 1197867185 /nfs/dbraw/zinc/86/71/85/1197867185.db2.gz YZOTXSQRTDAWGC-YGRLFVJLSA-N 1 2 348.369 2.371 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H](NC(=O)Cn3cc[nH+]c3)CC[C@@H]2C)CC1 ZINC001018229907 1224498520 /nfs/dbraw/zinc/49/85/20/1224498520.db2.gz HSDQBKVAOVFVEI-DOTOQJQBSA-N 1 2 344.459 2.125 20 30 EEEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000874705224 1198955099 /nfs/dbraw/zinc/95/50/99/1198955099.db2.gz AVVJHAHXAMQTEA-QGZVFWFLSA-N 1 2 329.444 2.328 20 30 EEEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000874705224 1198955104 /nfs/dbraw/zinc/95/51/04/1198955104.db2.gz AVVJHAHXAMQTEA-QGZVFWFLSA-N 1 2 329.444 2.328 20 30 EEEDLO N#Cc1ccc(OCC(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)cc1 ZINC000874894541 1199063267 /nfs/dbraw/zinc/06/32/67/1199063267.db2.gz QQQAUSYQKSFTOR-GOSISDBHSA-N 1 2 339.370 2.249 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2C(C)C)[C@H](O)C1 ZINC001090511645 1199116937 /nfs/dbraw/zinc/11/69/37/1199116937.db2.gz VUGOJXOWENKUEZ-UONOGXRCSA-N 1 2 325.840 2.056 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2C(C)C)[C@H](O)C1 ZINC001090511645 1199116940 /nfs/dbraw/zinc/11/69/40/1199116940.db2.gz 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1216900543 /nfs/dbraw/zinc/90/05/43/1216900543.db2.gz XSLQEPMTJZYSPL-QGZVFWFLSA-N 1 2 345.491 2.323 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cn(CC2CC2)nn1 ZINC000960793070 1216900547 /nfs/dbraw/zinc/90/05/47/1216900547.db2.gz XSLQEPMTJZYSPL-QGZVFWFLSA-N 1 2 345.491 2.323 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[C@H]2C[N@@H+](C)[C@H](C)c2ncccn2)c1 ZINC000960860876 1216948082 /nfs/dbraw/zinc/94/80/82/1216948082.db2.gz URVMGTWWCUNAIG-QAPCUYQASA-N 1 2 349.438 2.151 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[C@H]2C[N@H+](C)[C@H](C)c2ncccn2)c1 ZINC000960860876 1216948085 /nfs/dbraw/zinc/94/80/85/1216948085.db2.gz URVMGTWWCUNAIG-QAPCUYQASA-N 1 2 349.438 2.151 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000963361989 1217556520 /nfs/dbraw/zinc/55/65/20/1217556520.db2.gz VKYDOANWRMLWON-IUODEOHRSA-N 1 2 336.386 2.297 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000963361989 1217556521 /nfs/dbraw/zinc/55/65/21/1217556521.db2.gz 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/nfs/dbraw/zinc/55/59/45/1221555945.db2.gz XBDPXWGUHMJVGT-KGLIPLIRSA-N 1 2 345.281 2.292 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccccn3)C2)cc1F ZINC001006579690 1221844266 /nfs/dbraw/zinc/84/42/66/1221844266.db2.gz LPBKVSPUAFNECX-INIZCTEOSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccccn3)C2)cc1F ZINC001006579690 1221844271 /nfs/dbraw/zinc/84/42/71/1221844271.db2.gz LPBKVSPUAFNECX-INIZCTEOSA-N 1 2 338.386 2.487 20 30 EEEDLO CCc1ocnc1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001006958096 1222035664 /nfs/dbraw/zinc/03/56/64/1222035664.db2.gz KJGOGUTZCFYXCG-QGZVFWFLSA-N 1 2 337.423 2.483 20 30 EEEDLO CCc1ocnc1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001006958096 1222035667 /nfs/dbraw/zinc/03/56/67/1222035667.db2.gz KJGOGUTZCFYXCG-QGZVFWFLSA-N 1 2 337.423 2.483 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1ccncc1F ZINC001006997521 1222057199 /nfs/dbraw/zinc/05/71/99/1222057199.db2.gz XHLCMXFEBYKFST-KRWDZBQOSA-N 1 2 337.398 2.467 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1ccncc1F ZINC001006997521 1222057204 /nfs/dbraw/zinc/05/72/04/1222057204.db2.gz XHLCMXFEBYKFST-KRWDZBQOSA-N 1 2 337.398 2.467 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCCCO3)C2)cc1F ZINC001007122243 1222102452 /nfs/dbraw/zinc/10/24/52/1222102452.db2.gz QWYXEIQNDVNEST-WMZOPIPTSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CCCCO3)C2)cc1F ZINC001007122243 1222102455 /nfs/dbraw/zinc/10/24/55/1222102455.db2.gz QWYXEIQNDVNEST-WMZOPIPTSA-N 1 2 345.418 2.347 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccns2)C1 ZINC001007357058 1222188085 /nfs/dbraw/zinc/18/80/85/1222188085.db2.gz MIDIPHSFTSRGPV-IMJJTQAJSA-N 1 2 335.473 2.205 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC001007357058 1222188088 /nfs/dbraw/zinc/18/80/88/1222188088.db2.gz MIDIPHSFTSRGPV-IMJJTQAJSA-N 1 2 335.473 2.205 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2CCCCCCC2=O)C1 ZINC001007462943 1222242109 /nfs/dbraw/zinc/24/21/09/1222242109.db2.gz HTSJWIPEXDOQBK-HNNXBMFYSA-N 1 2 341.883 2.112 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CCCCCCC2=O)C1 ZINC001007462943 1222242111 /nfs/dbraw/zinc/24/21/11/1222242111.db2.gz HTSJWIPEXDOQBK-HNNXBMFYSA-N 1 2 341.883 2.112 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(C)nn(C)c3s2)C1 ZINC001008113178 1222628932 /nfs/dbraw/zinc/62/89/32/1222628932.db2.gz MDVYNBMYYCXIGO-ZDUSSCGKSA-N 1 2 330.457 2.161 20 30 EEEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc3c(C)nn(C)c3s2)C1 ZINC001008113178 1222628935 /nfs/dbraw/zinc/62/89/35/1222628935.db2.gz MDVYNBMYYCXIGO-ZDUSSCGKSA-N 1 2 330.457 2.161 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001008468031 1222863567 /nfs/dbraw/zinc/86/35/67/1222863567.db2.gz ITIDIOIYWDASTM-HXUWFJFHSA-N 1 2 344.418 2.329 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001008468031 1222863570 /nfs/dbraw/zinc/86/35/70/1222863570.db2.gz ITIDIOIYWDASTM-HXUWFJFHSA-N 1 2 344.418 2.329 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)cn1 ZINC001010177622 1223589247 /nfs/dbraw/zinc/58/92/47/1223589247.db2.gz LFMBDUOXQASLNT-AWEZNQCLSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)cn1 ZINC001010177622 1223589250 /nfs/dbraw/zinc/58/92/50/1223589250.db2.gz LFMBDUOXQASLNT-AWEZNQCLSA-N 1 2 326.425 2.328 20 30 EEEDLO Cn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010239651 1223622469 /nfs/dbraw/zinc/62/24/69/1223622469.db2.gz CKNOSTXDMHJIJA-HNNXBMFYSA-N 1 2 326.375 2.040 20 30 EEEDLO Cn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010239651 1223622472 /nfs/dbraw/zinc/62/24/72/1223622472.db2.gz CKNOSTXDMHJIJA-HNNXBMFYSA-N 1 2 326.375 2.040 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)c1C ZINC001010396296 1223698270 /nfs/dbraw/zinc/69/82/70/1223698270.db2.gz HBHZOEDGZCZITP-HNNXBMFYSA-N 1 2 341.390 2.042 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)c1C ZINC001010396296 1223698272 /nfs/dbraw/zinc/69/82/72/1223698272.db2.gz HBHZOEDGZCZITP-HNNXBMFYSA-N 1 2 341.390 2.042 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)[nH]1 ZINC001010643778 1223829638 /nfs/dbraw/zinc/82/96/38/1223829638.db2.gz NFHBUCQCLZAMBD-ZDUSSCGKSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(F)c3F)C2)[nH]1 ZINC001010643778 1223829640 /nfs/dbraw/zinc/82/96/40/1223829640.db2.gz NFHBUCQCLZAMBD-ZDUSSCGKSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3CCCOC3)C2)c(F)c1 ZINC001016276136 1226289904 /nfs/dbraw/zinc/28/99/04/1226289904.db2.gz JUMNPGAOPRJAJM-RDJZCZTQSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C[C@@H]3CCCOC3)C2)c(F)c1 ZINC001016276136 1226289909 /nfs/dbraw/zinc/28/99/09/1226289909.db2.gz JUMNPGAOPRJAJM-RDJZCZTQSA-N 1 2 345.418 2.205 20 30 EEEDLO CN(C)c1ccc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)nc1 ZINC001016366321 1226396911 /nfs/dbraw/zinc/39/69/11/1226396911.db2.gz HLLKKMICBOPSKM-SFHVURJKSA-N 1 2 348.450 2.003 20 30 EEEDLO CN(C)c1ccc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)nc1 ZINC001016366321 1226396917 /nfs/dbraw/zinc/39/69/17/1226396917.db2.gz HLLKKMICBOPSKM-SFHVURJKSA-N 1 2 348.450 2.003 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001014367006 1226532922 /nfs/dbraw/zinc/53/29/22/1226532922.db2.gz DAEAJFDFOLLJBK-MRXNPFEDSA-N 1 2 342.830 2.227 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001014367006 1226532929 /nfs/dbraw/zinc/53/29/29/1226532929.db2.gz DAEAJFDFOLLJBK-MRXNPFEDSA-N 1 2 342.830 2.227 20 30 EEEDLO CC#CC[NH+]1CCC2(C[C@H]2NC(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC001016766023 1226854661 /nfs/dbraw/zinc/85/46/61/1226854661.db2.gz MEJGQPQYNNKWAO-QGZVFWFLSA-N 1 2 349.438 2.079 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COC[C@H]1c1ccccc1 ZINC001017676829 1227627645 /nfs/dbraw/zinc/62/76/45/1227627645.db2.gz OFTWJFVRKUTHRK-ZGXWSNOMSA-N 1 2 338.451 2.115 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COC[C@H]1c1ccccc1 ZINC001017676829 1227627649 /nfs/dbraw/zinc/62/76/49/1227627649.db2.gz OFTWJFVRKUTHRK-ZGXWSNOMSA-N 1 2 338.451 2.115 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC001017690522 1227641799 /nfs/dbraw/zinc/64/17/99/1227641799.db2.gz GIBLUCTZOOAGKZ-RYQLBKOJSA-N 1 2 340.471 2.475 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC001017690522 1227641800 /nfs/dbraw/zinc/64/18/00/1227641800.db2.gz GIBLUCTZOOAGKZ-RYQLBKOJSA-N 1 2 340.471 2.475 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([NH2+]Cc2nnc(OCC)s2)C1 ZINC001019333734 1229000184 /nfs/dbraw/zinc/00/01/84/1229000184.db2.gz ANNSXKKSMWTOKO-BLLLJJGKSA-N 1 2 338.477 2.230 20 30 EEEDLO Cn1nc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)cc1C1CC1 ZINC001038316088 1229740572 /nfs/dbraw/zinc/74/05/72/1229740572.db2.gz NSZYXJZXXSUSMC-KRWDZBQOSA-N 1 2 349.438 2.173 20 30 EEEDLO Cn1nc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)cc1C1CC1 ZINC001038316088 1229740575 /nfs/dbraw/zinc/74/05/75/1229740575.db2.gz NSZYXJZXXSUSMC-KRWDZBQOSA-N 1 2 349.438 2.173 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CCC2(F)F)cc1F ZINC001038399052 1229791106 /nfs/dbraw/zinc/79/11/06/1229791106.db2.gz SYJJNOLZNUOWTK-KBPBESRZSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CCC2(F)F)cc1F ZINC001038399052 1229791110 /nfs/dbraw/zinc/79/11/10/1229791110.db2.gz SYJJNOLZNUOWTK-KBPBESRZSA-N 1 2 337.345 2.433 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C2CC3(CC3)C2)cc1C#N ZINC001038680772 1229972015 /nfs/dbraw/zinc/97/20/15/1229972015.db2.gz DQRNOYWWFFCSKS-KRWDZBQOSA-N 1 2 339.439 2.448 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C2CC3(CC3)C2)cc1C#N ZINC001038680772 1229972016 /nfs/dbraw/zinc/97/20/16/1229972016.db2.gz DQRNOYWWFFCSKS-KRWDZBQOSA-N 1 2 339.439 2.448 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1c(C)nsc1C ZINC001038713755 1229992496 /nfs/dbraw/zinc/99/24/96/1229992496.db2.gz GCLDVUYYIIKHCR-FMKPAKJESA-N 1 2 335.473 2.042 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1c(C)nsc1C ZINC001038713755 1229992498 /nfs/dbraw/zinc/99/24/98/1229992498.db2.gz GCLDVUYYIIKHCR-FMKPAKJESA-N 1 2 335.473 2.042 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cnoc1C ZINC001038798333 1230064988 /nfs/dbraw/zinc/06/49/88/1230064988.db2.gz CRVXLOKOMRWDAN-IKGGRYGDSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cnoc1C ZINC001038798333 1230064991 /nfs/dbraw/zinc/06/49/91/1230064991.db2.gz CRVXLOKOMRWDAN-IKGGRYGDSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(F)cc1 ZINC001038808450 1230071719 /nfs/dbraw/zinc/07/17/19/1230071719.db2.gz QUPLLMYULAIEHN-BZSNNMDCSA-N 1 2 332.419 2.497 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(F)cc1 ZINC001038808450 1230071721 /nfs/dbraw/zinc/07/17/21/1230071721.db2.gz QUPLLMYULAIEHN-BZSNNMDCSA-N 1 2 332.419 2.497 20 30 EEEDLO CCn1ncc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c1C ZINC001038835867 1230097200 /nfs/dbraw/zinc/09/72/00/1230097200.db2.gz LSKOIAPXPOEPND-KRWDZBQOSA-N 1 2 337.427 2.087 20 30 EEEDLO CCn1ncc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)c1C ZINC001038835867 1230097208 /nfs/dbraw/zinc/09/72/08/1230097208.db2.gz LSKOIAPXPOEPND-KRWDZBQOSA-N 1 2 337.427 2.087 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nccn2C1 ZINC001039396043 1230579173 /nfs/dbraw/zinc/57/91/73/1230579173.db2.gz WWYMXPNWRTYQPX-XHSDSOJGSA-N 1 2 348.878 2.263 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nccn2C1 ZINC001039396043 1230579175 /nfs/dbraw/zinc/57/91/75/1230579175.db2.gz WWYMXPNWRTYQPX-XHSDSOJGSA-N 1 2 348.878 2.263 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1nnc(C)[nH]1)C2 ZINC001040322229 1231169351 /nfs/dbraw/zinc/16/93/51/1231169351.db2.gz IGCQBUVZJZPNNS-SFHVURJKSA-N 1 2 331.464 2.140 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1nnc(C)[nH]1)C2 ZINC001040322229 1231169354 /nfs/dbraw/zinc/16/93/54/1231169354.db2.gz IGCQBUVZJZPNNS-SFHVURJKSA-N 1 2 331.464 2.140 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@]2(CC[N@@H+](Cc3cnn(CC)n3)C2)C1 ZINC001041633018 1231631122 /nfs/dbraw/zinc/63/11/22/1231631122.db2.gz OOUQVBIKNMFADJ-OALUTQOASA-N 1 2 345.491 2.325 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@]2(CC[N@H+](Cc3cnn(CC)n3)C2)C1 ZINC001041633018 1231631123 /nfs/dbraw/zinc/63/11/23/1231631123.db2.gz OOUQVBIKNMFADJ-OALUTQOASA-N 1 2 345.491 2.325 20 30 EEEDLO COc1cccc([C@@H](C)[NH+]2CC(N(C)C(=O)c3ccc(C#N)[nH]3)C2)c1 ZINC001042628260 1232124635 /nfs/dbraw/zinc/12/46/35/1232124635.db2.gz DYNWBAVOCNFXKN-CYBMUJFWSA-N 1 2 338.411 2.412 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](C[C@H](O)c3ccc(F)cc3)C2)C1 ZINC001043797080 1232583943 /nfs/dbraw/zinc/58/39/43/1232583943.db2.gz WCLCBDYRTGZSQA-KRWDZBQOSA-N 1 2 332.419 2.358 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCN(CC)c1cc[nH+]c(C)n1 ZINC001095976302 1232915117 /nfs/dbraw/zinc/91/51/17/1232915117.db2.gz WBSLGKBCHBEUJV-WMZOPIPTSA-N 1 2 346.475 2.489 20 30 EEEDLO CC1(NC(=O)[C@@H]2CCOC2)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001045379363 1233705594 /nfs/dbraw/zinc/70/55/94/1233705594.db2.gz RPSMRZNGPRBVNX-OAHLLOKOSA-N 1 2 345.418 2.205 20 30 EEEDLO CC1(NC(=O)c2ncc[nH]2)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001045434987 1233743589 /nfs/dbraw/zinc/74/35/89/1233743589.db2.gz BGVXHRJNQAKHRM-UHFFFAOYSA-N 1 2 341.390 2.205 20 30 EEEDLO CC1(NC(=O)c2[nH]ncc2F)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001045544208 1233804420 /nfs/dbraw/zinc/80/44/20/1233804420.db2.gz DEANKNVBJMCYAC-UHFFFAOYSA-N 1 2 341.390 2.205 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001067612245 1249311640 /nfs/dbraw/zinc/31/16/40/1249311640.db2.gz YZEICIQWUIAVKL-ZACQAIPSSA-N 1 2 344.459 2.193 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)s1 ZINC001046253251 1234597195 /nfs/dbraw/zinc/59/71/95/1234597195.db2.gz SRMAQMHNPVLMTI-MRXNPFEDSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)s1 ZINC001046253251 1234597197 /nfs/dbraw/zinc/59/71/97/1234597197.db2.gz SRMAQMHNPVLMTI-MRXNPFEDSA-N 1 2 329.429 2.046 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001046695958 1235081452 /nfs/dbraw/zinc/08/14/52/1235081452.db2.gz SDQVSSANOPXDRI-QGZVFWFLSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001046695958 1235081454 /nfs/dbraw/zinc/08/14/54/1235081454.db2.gz SDQVSSANOPXDRI-QGZVFWFLSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2[nH]nc(C)c2C)C1 ZINC001046923691 1235311725 /nfs/dbraw/zinc/31/17/25/1235311725.db2.gz WEDQGHUKQKUZBC-ZDUSSCGKSA-N 1 2 326.391 2.290 20 30 EEEDLO C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2[nH]nc(C)c2C)C1 ZINC001046923691 1235311728 /nfs/dbraw/zinc/31/17/28/1235311728.db2.gz WEDQGHUKQKUZBC-ZDUSSCGKSA-N 1 2 326.391 2.290 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001096220681 1236269790 /nfs/dbraw/zinc/26/97/90/1236269790.db2.gz IKFLNCDUSYYFGV-KGLIPLIRSA-N 1 2 342.447 2.051 20 30 EEEDLO C=CCC1(C(=O)N(C)CCCN(C)C(=O)Cc2c[nH+]c[nH]2)CCCC1 ZINC001067762101 1249537186 /nfs/dbraw/zinc/53/71/86/1249537186.db2.gz QVTQRSWTURNIQL-UHFFFAOYSA-N 1 2 346.475 2.396 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCC[NH+]1CCN(c2cccc(F)n2)CC1 ZINC001096294116 1237194518 /nfs/dbraw/zinc/19/45/18/1237194518.db2.gz DUWMGBPCUYCTRK-OAHLLOKOSA-N 1 2 334.439 2.061 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096393866 1238186196 /nfs/dbraw/zinc/18/61/96/1238186196.db2.gz TVPIXFXSDSYKHH-LSDHHAIUSA-N 1 2 332.448 2.194 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001056487790 1239405634 /nfs/dbraw/zinc/40/56/34/1239405634.db2.gz FJZKZCRDQZEQHP-IRXDYDNUSA-N 1 2 344.459 2.209 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001056947428 1240869356 /nfs/dbraw/zinc/86/93/56/1240869356.db2.gz CRGJJOMVHVBPAV-GOSISDBHSA-N 1 2 334.423 2.046 20 30 EEEDLO C=C[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2nc(C)no2)C1)c1ccccc1 ZINC001000973166 1241347706 /nfs/dbraw/zinc/34/77/06/1241347706.db2.gz QTBVTQDNARRSKX-IRXDYDNUSA-N 1 2 340.427 2.428 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cnco1 ZINC001049619462 1241661999 /nfs/dbraw/zinc/66/19/99/1241661999.db2.gz CRCBNZHLKHIHJT-NWDGAFQWSA-N 1 2 340.221 2.262 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cnco1 ZINC001049619462 1241662003 /nfs/dbraw/zinc/66/20/03/1241662003.db2.gz CRCBNZHLKHIHJT-NWDGAFQWSA-N 1 2 340.221 2.262 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1nnc(CC)n1C ZINC001049635002 1241718191 /nfs/dbraw/zinc/71/81/91/1241718191.db2.gz IYYYSSSGLJLBFS-HUUCEWRRSA-N 1 2 345.491 2.155 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1nnc(CC)n1C ZINC001049635002 1241718196 /nfs/dbraw/zinc/71/81/96/1241718196.db2.gz IYYYSSSGLJLBFS-HUUCEWRRSA-N 1 2 345.491 2.155 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cc(CC)c[nH]c2=O)CC1 ZINC001001319758 1242050809 /nfs/dbraw/zinc/05/08/09/1242050809.db2.gz PHMLKNLFWJOQPP-UHFFFAOYSA-N 1 2 335.835 2.464 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cc(CC)c[nH]c2=O)CC1 ZINC001001319758 1242050815 /nfs/dbraw/zinc/05/08/15/1242050815.db2.gz PHMLKNLFWJOQPP-UHFFFAOYSA-N 1 2 335.835 2.464 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001073925012 1242772205 /nfs/dbraw/zinc/77/22/05/1242772205.db2.gz VCJHPWVJXHMHDS-CABCVRRESA-N 1 2 346.475 2.298 20 30 EEEDLO N#Cc1ccc(N2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)nc1 ZINC001057254741 1242788341 /nfs/dbraw/zinc/78/83/41/1242788341.db2.gz COLOUGIPYJTZGX-UHFFFAOYSA-N 1 2 346.394 2.182 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001073988721 1242872039 /nfs/dbraw/zinc/87/20/39/1242872039.db2.gz QMCJVDAWUZAHOH-ZBFHGGJFSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001073988721 1242872053 /nfs/dbraw/zinc/87/20/53/1242872053.db2.gz QMCJVDAWUZAHOH-ZBFHGGJFSA-N 1 2 346.475 2.298 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccnc1)C2 ZINC001096725274 1243166984 /nfs/dbraw/zinc/16/69/84/1243166984.db2.gz ZASGXRZCXIXELD-QRVBRYPASA-N 1 2 332.407 2.489 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccnc1)C2 ZINC001096725274 1243166985 /nfs/dbraw/zinc/16/69/85/1243166985.db2.gz ZASGXRZCXIXELD-QRVBRYPASA-N 1 2 332.407 2.489 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@@H](Nc2[nH+]cnc3c2cnn3C)C2CC2)C1 ZINC001096811636 1243315018 /nfs/dbraw/zinc/31/50/18/1243315018.db2.gz QRGSEYSWQGQXDF-CQSZACIVSA-N 1 2 340.431 2.026 20 30 EEEDLO Cc1nc(N[C@H]2CCN(C(=O)C#CC(C)C)C2)c2c([nH+]1)CCCC2 ZINC001096936061 1243480865 /nfs/dbraw/zinc/48/08/65/1243480865.db2.gz ZNNVVLRTGWIQEX-HNNXBMFYSA-N 1 2 326.444 2.336 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)ncn1 ZINC001096964993 1243496880 /nfs/dbraw/zinc/49/68/80/1243496880.db2.gz BHSKPSQIIOQCOJ-LMMKCTJWSA-N 1 2 347.422 2.192 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)ncn1 ZINC001096964993 1243496893 /nfs/dbraw/zinc/49/68/93/1243496893.db2.gz BHSKPSQIIOQCOJ-LMMKCTJWSA-N 1 2 347.422 2.192 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001097013825 1243576899 /nfs/dbraw/zinc/57/68/99/1243576899.db2.gz JSQZFUGANQRHAA-HBUWYVDXSA-N 1 2 332.448 2.295 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050580670 1243883486 /nfs/dbraw/zinc/88/34/86/1243883486.db2.gz LJWWBAKNRWEGME-LSDHHAIUSA-N 1 2 346.475 2.298 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001097761870 1244559293 /nfs/dbraw/zinc/55/92/93/1244559293.db2.gz VTEHYNNDSRQMEI-LYRGGWFBSA-N 1 2 342.424 2.452 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001097761870 1244559299 /nfs/dbraw/zinc/55/92/99/1244559299.db2.gz VTEHYNNDSRQMEI-LYRGGWFBSA-N 1 2 342.424 2.452 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1C ZINC001050950846 1244703974 /nfs/dbraw/zinc/70/39/74/1244703974.db2.gz ZGROKMNMLBWBPJ-MRXNPFEDSA-N 1 2 348.491 2.343 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1C ZINC001050950846 1244703983 /nfs/dbraw/zinc/70/39/83/1244703983.db2.gz ZGROKMNMLBWBPJ-MRXNPFEDSA-N 1 2 348.491 2.343 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(-c2ccncc2)o1 ZINC001050951165 1244704823 /nfs/dbraw/zinc/70/48/23/1244704823.db2.gz DUBXSBSROXGCKM-MRXNPFEDSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(-c2ccncc2)o1 ZINC001050951165 1244704825 /nfs/dbraw/zinc/70/48/25/1244704825.db2.gz DUBXSBSROXGCKM-MRXNPFEDSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001051162326 1245067711 /nfs/dbraw/zinc/06/77/11/1245067711.db2.gz TVSHMLRTFTUBMK-YTQUADARSA-N 1 2 328.456 2.492 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001051162326 1245067722 /nfs/dbraw/zinc/06/77/22/1245067722.db2.gz TVSHMLRTFTUBMK-YTQUADARSA-N 1 2 328.456 2.492 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001052865709 1245411600 /nfs/dbraw/zinc/41/16/00/1245411600.db2.gz BMYKDIHJLKHWKR-JKSUJKDBSA-N 1 2 346.475 2.086 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(OCC2CC2)cc1 ZINC001051244321 1245433748 /nfs/dbraw/zinc/43/37/48/1245433748.db2.gz AKENECUELSGVRJ-GOSISDBHSA-N 1 2 344.455 2.482 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(OCC2CC2)cc1 ZINC001051244321 1245433753 /nfs/dbraw/zinc/43/37/53/1245433753.db2.gz AKENECUELSGVRJ-GOSISDBHSA-N 1 2 344.455 2.482 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)C1(CCCC)CC1)c1nccn12 ZINC001101642404 1246074480 /nfs/dbraw/zinc/07/44/80/1246074480.db2.gz BKZHAPGUWOLRAG-INIZCTEOSA-N 1 2 340.471 2.449 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccc3cccnc31)CCO2 ZINC001053330345 1246191352 /nfs/dbraw/zinc/19/13/52/1246191352.db2.gz MJVFTJVBXIXBKH-UHFFFAOYSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(C)c(F)c1F)CCO2 ZINC001053440215 1246333068 /nfs/dbraw/zinc/33/30/68/1246333068.db2.gz GXEPYKONTSMLIC-UHFFFAOYSA-N 1 2 336.382 2.376 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CCc1ccccc1C)CCO2 ZINC001053446018 1246340381 /nfs/dbraw/zinc/34/03/81/1246340381.db2.gz IZNCVCWVPCQKNO-UHFFFAOYSA-N 1 2 328.456 2.417 20 30 EEEDLO Cc1c(Cl)cccc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052031427 1246396556 /nfs/dbraw/zinc/39/65/56/1246396556.db2.gz NVFZQZCMCFSIBJ-OAHLLOKOSA-N 1 2 346.862 2.004 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(CC(=C)Cl)CC2)C1 ZINC001052063400 1246434518 /nfs/dbraw/zinc/43/45/18/1246434518.db2.gz UVMBDKDNRSQAEH-OAHLLOKOSA-N 1 2 325.884 2.170 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3cc[nH]c3C3CC3)C2)CC1 ZINC001052069312 1246441518 /nfs/dbraw/zinc/44/15/18/1246441518.db2.gz XLNJTDQOJRJVDZ-KRWDZBQOSA-N 1 2 342.487 2.300 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)C3(C)CC=CC3)C2)CC1 ZINC001052074771 1246449573 /nfs/dbraw/zinc/44/95/73/1246449573.db2.gz KUYQPGFSGOPWBB-INIZCTEOSA-N 1 2 337.895 2.314 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3csc(C(C)C)n3)C2)CC1 ZINC001052096837 1246476674 /nfs/dbraw/zinc/47/66/74/1246476674.db2.gz QDFLQXGCWUYSFV-HNNXBMFYSA-N 1 2 348.516 2.285 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc(CC(C)C)[nH]1)O2 ZINC001053600645 1246514186 /nfs/dbraw/zinc/51/41/86/1246514186.db2.gz ODQPNTIECJCMFQ-OAHLLOKOSA-N 1 2 346.475 2.148 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(C)noc1C(C)C)O2 ZINC001053609963 1246529280 /nfs/dbraw/zinc/52/92/80/1246529280.db2.gz GWCKBBGQAYYHMJ-CQSZACIVSA-N 1 2 333.432 2.256 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccnc(C3CC3)c1)O2 ZINC001053627001 1246554917 /nfs/dbraw/zinc/55/49/17/1246554917.db2.gz KTDPICXCWKEENU-KRWDZBQOSA-N 1 2 341.455 2.498 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccn3ccccc13)O2 ZINC001053630642 1246560797 /nfs/dbraw/zinc/56/07/97/1246560797.db2.gz LIDXPRDQQPGMHZ-MRXNPFEDSA-N 1 2 339.439 2.479 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccn3ccccc13)O2 ZINC001053630112 1246560891 /nfs/dbraw/zinc/56/08/91/1246560891.db2.gz GXKLZQIVYZMFCP-HNNXBMFYSA-N 1 2 325.412 2.089 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1Cc3ccc(F)cc31)O2 ZINC001053651778 1246592297 /nfs/dbraw/zinc/59/22/97/1246592297.db2.gz KXIDSTJOSQSNMQ-RDJZCZTQSA-N 1 2 330.403 2.001 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc[nH]c1C1CC1)O2 ZINC001053652360 1246593781 /nfs/dbraw/zinc/59/37/81/1246593781.db2.gz UXRYUTGTXGWWED-HNNXBMFYSA-N 1 2 329.444 2.431 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1coc(C(F)F)c1)O2 ZINC001053654273 1246596930 /nfs/dbraw/zinc/59/69/30/1246596930.db2.gz HYOQIMQLIZWUPQ-GFCCVEGCSA-N 1 2 326.343 2.366 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001052194651 1246624957 /nfs/dbraw/zinc/62/49/57/1246624957.db2.gz QESSUOMIXOQSDD-HUUCEWRRSA-N 1 2 340.427 2.125 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn(C(C)C)c1)O2 ZINC001053687470 1246651110 /nfs/dbraw/zinc/65/11/10/1246651110.db2.gz QUAYLUDCVQAKDM-INIZCTEOSA-N 1 2 332.448 2.003 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccccc1C(C)C)CO2 ZINC001053823334 1246849694 /nfs/dbraw/zinc/84/96/94/1246849694.db2.gz JXSKCMKMLXCQJB-INIZCTEOSA-N 1 2 326.440 2.406 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1c(C)cccc1Cl)CO2 ZINC001053858528 1246920658 /nfs/dbraw/zinc/92/06/58/1246920658.db2.gz JMNUSKMTVWHQFW-OAHLLOKOSA-N 1 2 346.858 2.174 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1F)CO2 ZINC001053949190 1247054605 /nfs/dbraw/zinc/05/46/05/1247054605.db2.gz AAUMQYJGMJQJBL-HYVNUMGLSA-N 1 2 344.430 2.465 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(Cl)cn1CC)CO2 ZINC001054008911 1247142884 /nfs/dbraw/zinc/14/28/84/1247142884.db2.gz JTVSTQQKXBZZDK-CQSZACIVSA-N 1 2 337.851 2.311 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(C)c(C)n1 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2.490 20 30 EEEDLO CN(CCNc1cccc(F)c1C#N)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001101848306 1299940451 /nfs/dbraw/zinc/94/04/51/1299940451.db2.gz YVLSHCXVRPLDIK-CYBMUJFWSA-N 1 2 341.390 2.027 20 30 EEEDLO C=CCCCC[N@@H+]1Cc2ccnn2CC[C@@H]1C(=O)NC1(C#N)CCC1 ZINC001276885694 1300109152 /nfs/dbraw/zinc/10/91/52/1300109152.db2.gz QOZDRVDOEZGTJP-QGZVFWFLSA-N 1 2 341.459 2.376 20 30 EEEDLO C=CCCCC[N@H+]1Cc2ccnn2CC[C@@H]1C(=O)NC1(C#N)CCC1 ZINC001276885694 1300109162 /nfs/dbraw/zinc/10/91/62/1300109162.db2.gz QOZDRVDOEZGTJP-QGZVFWFLSA-N 1 2 341.459 2.376 20 30 EEEDLO N#Cc1cccnc1N[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001102181218 1300515260 /nfs/dbraw/zinc/51/52/60/1300515260.db2.gz NPIZKSMCOBKAML-KRWDZBQOSA-N 1 2 346.394 2.188 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ncnn2CC(C)C)C[C@H]1C ZINC001102226363 1300605032 /nfs/dbraw/zinc/60/50/32/1300605032.db2.gz MVOXIWDBRHCJBE-HZPDHXFCSA-N 1 2 347.507 2.330 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ncnn2CC(C)C)C[C@H]1C ZINC001102226363 1300605036 /nfs/dbraw/zinc/60/50/36/1300605036.db2.gz MVOXIWDBRHCJBE-HZPDHXFCSA-N 1 2 347.507 2.330 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1C ZINC001102261261 1300699592 /nfs/dbraw/zinc/69/95/92/1300699592.db2.gz SVNQSYFOMODIRT-IIAWOOMASA-N 1 2 345.491 2.469 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1C ZINC001102261261 1300699600 /nfs/dbraw/zinc/69/96/00/1300699600.db2.gz SVNQSYFOMODIRT-IIAWOOMASA-N 1 2 345.491 2.469 20 30 EEEDLO CCn1ccnc1C[N@H+]1C[C@H]2C[C@@H](C1)N2c1cc(C#N)ccc1F ZINC001277023208 1300924161 /nfs/dbraw/zinc/92/41/61/1300924161.db2.gz FVBGRTLLPFPPSX-GASCZTMLSA-N 1 2 325.391 2.377 20 30 EEEDLO CCn1ccnc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2c1cc(C#N)ccc1F ZINC001277023208 1300924164 /nfs/dbraw/zinc/92/41/64/1300924164.db2.gz FVBGRTLLPFPPSX-GASCZTMLSA-N 1 2 325.391 2.377 20 30 EEEDLO C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(F)C(F)(F)F ZINC001226365358 1301379511 /nfs/dbraw/zinc/37/95/11/1301379511.db2.gz DXGVLCWESXHNDR-UTUOFQBUSA-N 1 2 326.334 2.106 20 30 EEEDLO C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](F)C(F)(F)F ZINC001226365358 1301379522 /nfs/dbraw/zinc/37/95/22/1301379522.db2.gz DXGVLCWESXHNDR-UTUOFQBUSA-N 1 2 326.334 2.106 20 30 EEEDLO Cc1cc(N2CC[C@H](N(C)C(=O)CSCC#N)C2)nc(C(C)C)[nH+]1 ZINC001102670210 1301401645 /nfs/dbraw/zinc/40/16/45/1301401645.db2.gz UBXCXVAZAYDVLF-AWEZNQCLSA-N 1 2 347.488 2.202 20 30 EEEDLO C[C@H](C#N)C(=O)NC1CC[NH+]([C@H](C)c2nc(-c3ccco3)no2)CC1 ZINC001226647695 1301492830 /nfs/dbraw/zinc/49/28/30/1301492830.db2.gz DPCVYGDBKJHXJT-VXGBXAGGSA-N 1 2 343.387 2.131 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N(CC)[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102807076 1301667224 /nfs/dbraw/zinc/66/72/24/1301667224.db2.gz WVGSUTJVCNZBKQ-APWZRJJASA-N 1 2 346.475 2.156 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC1CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC001227307573 1301775411 /nfs/dbraw/zinc/77/54/11/1301775411.db2.gz DJAQZXXTGHRJSA-AWEZNQCLSA-N 1 2 347.459 2.091 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NC1CC[NH+]([C@@H](C)c2ncccn2)CC1)OCC ZINC001227629021 1301916824 /nfs/dbraw/zinc/91/68/24/1301916824.db2.gz NFASSDNBYFWUTH-DOTOQJQBSA-N 1 2 346.475 2.490 20 30 EEEDLO Cc1nc(N2CCC[C@H](CCNC(=O)c3ccc(C#N)[nH]3)C2)cc[nH+]1 ZINC001102914470 1301920136 /nfs/dbraw/zinc/92/01/36/1301920136.db2.gz RJXCYCIOUIRCCK-CQSZACIVSA-N 1 2 338.415 2.021 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2noc3c2COCC3)CC1 ZINC001228748925 1302420920 /nfs/dbraw/zinc/42/09/20/1302420920.db2.gz OKMWIKRCAWJLCX-KBPBESRZSA-N 1 2 347.459 2.286 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2noc3c2COCC3)CC1 ZINC001228748926 1302421104 /nfs/dbraw/zinc/42/11/04/1302421104.db2.gz OKMWIKRCAWJLCX-KGLIPLIRSA-N 1 2 347.459 2.286 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H](CC)Nc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001103296042 1302672557 /nfs/dbraw/zinc/67/25/57/1302672557.db2.gz IIFIERZPVSQXBN-HNNXBMFYSA-N 1 2 346.479 2.299 20 30 EEEDLO CCCCCCNC(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001277393339 1302817603 /nfs/dbraw/zinc/81/76/03/1302817603.db2.gz AJQRRIYQIPGEPR-UHFFFAOYSA-N 1 2 343.475 2.304 20 30 EEEDLO CC[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)Nc1nccnc1C#N ZINC001103378356 1302868438 /nfs/dbraw/zinc/86/84/38/1302868438.db2.gz UENLKBFGIZITFQ-AWEZNQCLSA-N 1 2 338.415 2.289 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2nc[nH]c(=O)c2Cl)C1 ZINC001230016705 1303019736 /nfs/dbraw/zinc/01/97/36/1303019736.db2.gz HTUOFNUCBZWCKW-CYBMUJFWSA-N 1 2 330.775 2.361 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2nc[nH]c(=O)c2Cl)C1 ZINC001230016705 1303019739 /nfs/dbraw/zinc/01/97/39/1303019739.db2.gz HTUOFNUCBZWCKW-CYBMUJFWSA-N 1 2 330.775 2.361 20 30 EEEDLO Cc1nc(N2CCC(CCNC(=O)[C@@H](C)C#N)CC2)c(C)c(C)[nH+]1 ZINC001103677905 1303215300 /nfs/dbraw/zinc/21/53/00/1303215300.db2.gz UBAYYAIJABIMAT-LBPRGKRZSA-N 1 2 329.448 2.284 20 30 EEEDLO C=CCCC(=O)NCCC[N@@H+](Cc1cncn1C)Cc1cccnc1 ZINC001230704059 1303404031 /nfs/dbraw/zinc/40/40/31/1303404031.db2.gz HLEGVLYVNDIWSU-UHFFFAOYSA-N 1 2 341.459 2.290 20 30 EEEDLO C=CCCC(=O)NCCC[N@H+](Cc1cncn1C)Cc1cccnc1 ZINC001230704059 1303404037 /nfs/dbraw/zinc/40/40/37/1303404037.db2.gz HLEGVLYVNDIWSU-UHFFFAOYSA-N 1 2 341.459 2.290 20 30 EEEDLO C=CCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(F)(F)C(F)F)C1 ZINC001103989794 1303490872 /nfs/dbraw/zinc/49/08/72/1303490872.db2.gz JGZTYNIIHKHYBC-VXGBXAGGSA-N 1 2 340.361 2.164 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104007178 1303500918 /nfs/dbraw/zinc/50/09/18/1303500918.db2.gz DOFUHESMQPGSPF-KBPBESRZSA-N 1 2 346.475 2.419 20 30 EEEDLO C=C(Cl)CN(CCCNC(=O)Cn1cc[nH+]c1)Cc1cccnc1 ZINC001230939739 1303553855 /nfs/dbraw/zinc/55/38/55/1303553855.db2.gz KPVFBBGDWNAQKG-UHFFFAOYSA-N 1 2 347.850 2.039 20 30 EEEDLO CC[C@H](OC)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001231101275 1303629681 /nfs/dbraw/zinc/62/96/81/1303629681.db2.gz ARCHPLGEZGTTND-IRXDYDNUSA-N 1 2 345.443 2.025 20 30 EEEDLO CC[C@H](OC)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001231101275 1303629684 /nfs/dbraw/zinc/62/96/84/1303629684.db2.gz ARCHPLGEZGTTND-IRXDYDNUSA-N 1 2 345.443 2.025 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnc(Cl)s1)C2 ZINC001111667144 1303763446 /nfs/dbraw/zinc/76/34/46/1303763446.db2.gz VRTJASYUVIDYCY-PGUXBMHVSA-N 1 2 338.864 2.427 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnc(Cl)s1)C2 ZINC001111667144 1303763452 /nfs/dbraw/zinc/76/34/52/1303763452.db2.gz VRTJASYUVIDYCY-PGUXBMHVSA-N 1 2 338.864 2.427 20 30 EEEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnnn1C(C)C)C2 ZINC001111855714 1304002460 /nfs/dbraw/zinc/00/24/60/1304002460.db2.gz JKCINMFBBRQNOL-YJBOKZPZSA-N 1 2 346.479 2.081 20 30 EEEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnnn1C(C)C)C2 ZINC001111855714 1304002467 /nfs/dbraw/zinc/00/24/67/1304002467.db2.gz JKCINMFBBRQNOL-YJBOKZPZSA-N 1 2 346.479 2.081 20 30 EEEDLO C#CCCCCCC(=O)N1CCO[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001111957832 1304108146 /nfs/dbraw/zinc/10/81/46/1304108146.db2.gz DREIDQBCLITFFR-MRXNPFEDSA-N 1 2 330.432 2.008 20 30 EEEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)c1 ZINC001232676184 1304211913 /nfs/dbraw/zinc/21/19/13/1304211913.db2.gz GUCXSPBXRYTWMY-GOEBONIOSA-N 1 2 337.379 2.203 20 30 EEEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)c1 ZINC001232676184 1304211917 /nfs/dbraw/zinc/21/19/17/1304211917.db2.gz GUCXSPBXRYTWMY-GOEBONIOSA-N 1 2 337.379 2.203 20 30 EEEDLO CN(CCCN(C)c1ccncc1C#N)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001112194673 1304317174 /nfs/dbraw/zinc/31/71/74/1304317174.db2.gz OHDBGUAUOSLOGX-UHFFFAOYSA-N 1 2 348.410 2.428 20 30 EEEDLO C=CCOCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(OC)ccn1 ZINC001233488166 1304479510 /nfs/dbraw/zinc/47/95/10/1304479510.db2.gz CTNVIPNTOSZKDD-QGZVFWFLSA-N 1 2 347.459 2.106 20 30 EEEDLO C=CCOCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(OC)ccn1 ZINC001233488166 1304479515 /nfs/dbraw/zinc/47/95/15/1304479515.db2.gz CTNVIPNTOSZKDD-QGZVFWFLSA-N 1 2 347.459 2.106 20 30 EEEDLO C=CCCCC[N@@H+]1Cc2ccnn2CC[C@@H]1C(=O)Nc1cn[nH]c1 ZINC001277789790 1304506758 /nfs/dbraw/zinc/50/67/58/1304506758.db2.gz YYJAXPSCTZPPAE-MRXNPFEDSA-N 1 2 328.420 2.176 20 30 EEEDLO C=CCCCC[N@H+]1Cc2ccnn2CC[C@@H]1C(=O)Nc1cn[nH]c1 ZINC001277789790 1304506761 /nfs/dbraw/zinc/50/67/61/1304506761.db2.gz YYJAXPSCTZPPAE-MRXNPFEDSA-N 1 2 328.420 2.176 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)COC(C)(C)C ZINC001233799869 1304597854 /nfs/dbraw/zinc/59/78/54/1304597854.db2.gz BGYHXEZYQQYAFV-KRWDZBQOSA-N 1 2 329.444 2.406 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)COC(C)(C)C ZINC001233799869 1304597856 /nfs/dbraw/zinc/59/78/56/1304597856.db2.gz BGYHXEZYQQYAFV-KRWDZBQOSA-N 1 2 329.444 2.406 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+]2CC[C@H]2CN(C)C(=O)C#CC(C)(C)C)cn1 ZINC001234215778 1304801495 /nfs/dbraw/zinc/80/14/95/1304801495.db2.gz PIZKWCRJDWLUMQ-HOTGVXAUSA-N 1 2 328.460 2.428 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+]2CC[C@H]2CN(C)C(=O)C#CC(C)(C)C)cn1 ZINC001234215778 1304801502 /nfs/dbraw/zinc/80/15/02/1304801502.db2.gz PIZKWCRJDWLUMQ-HOTGVXAUSA-N 1 2 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ZINC001263308184 1322457085 /nfs/dbraw/zinc/45/70/85/1322457085.db2.gz XTLYGBPYSOCGOJ-HZPDHXFCSA-N 1 2 329.400 2.215 20 30 EEEDLO CC#CC[NH2+]CC1CCN(C(=O)c2c(Cl)[nH]nc2C2CC2)CC1 ZINC001205441439 1323135623 /nfs/dbraw/zinc/13/56/23/1323135623.db2.gz WHTMXNXNPKGSHA-UHFFFAOYSA-N 1 2 334.851 2.406 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ncc(CC)o3)C[C@H]2C)CCC1 ZINC001207510884 1323999860 /nfs/dbraw/zinc/99/98/60/1323999860.db2.gz WDDJDVYPUQSDML-GDBMZVCRSA-N 1 2 329.444 2.367 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(CC)o3)C[C@H]2C)CCC1 ZINC001207510884 1323999866 /nfs/dbraw/zinc/99/98/66/1323999866.db2.gz WDDJDVYPUQSDML-GDBMZVCRSA-N 1 2 329.444 2.367 20 30 EEEDLO C#CCCCCC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001207860902 1324184685 /nfs/dbraw/zinc/18/46/85/1324184685.db2.gz SJPLHTWXVFMERV-OAHLLOKOSA-N 1 2 330.432 2.221 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCC[C@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001208195223 1324353989 /nfs/dbraw/zinc/35/39/89/1324353989.db2.gz YZHDXTHZMOSDJR-HNNXBMFYSA-N 1 2 332.448 2.481 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)cc(C)c1 ZINC001316607104 1324618779 /nfs/dbraw/zinc/61/87/79/1324618779.db2.gz RAWVMOYLNOWNCJ-SJLPKXTDSA-N 1 2 343.471 2.140 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)cc(C)c1 ZINC001316607104 1324618784 /nfs/dbraw/zinc/61/87/84/1324618784.db2.gz RAWVMOYLNOWNCJ-SJLPKXTDSA-N 1 2 343.471 2.140 20 30 EEEDLO CCC1(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)CCOCC1 ZINC001492473963 1331276929 /nfs/dbraw/zinc/27/69/29/1331276929.db2.gz CRKPMMRFCRBNEQ-UHFFFAOYSA-N 1 2 329.444 2.313 20 30 EEEDLO CCC1(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)CCOCC1 ZINC001492473963 1331276933 /nfs/dbraw/zinc/27/69/33/1331276933.db2.gz CRKPMMRFCRBNEQ-UHFFFAOYSA-N 1 2 329.444 2.313 20 30 EEEDLO C=CCC1(O)C[NH+](C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC001308979939 1331612005 /nfs/dbraw/zinc/61/20/05/1331612005.db2.gz JUJUNAIOYWBMNT-LBPRGKRZSA-N 1 2 332.391 2.254 20 30 EEEDLO Cc1nnc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)s1 ZINC001326710311 1334147244 /nfs/dbraw/zinc/14/72/44/1334147244.db2.gz UHANMMAHURFWKU-UHFFFAOYSA-N 1 2 339.428 2.309 20 30 EEEDLO Cc1cc(C)c(CNC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)c[nH+]1 ZINC001331720941 1335063132 /nfs/dbraw/zinc/06/31/32/1335063132.db2.gz KBZMRZYZAFAQKD-AWEZNQCLSA-N 1 2 336.395 2.064 20 30 EEEDLO C#Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC001334386225 1336247805 /nfs/dbraw/zinc/24/78/05/1336247805.db2.gz XZZNCNKQKHDPGV-UHFFFAOYSA-N 1 2 334.419 2.430 20 30 EEEDLO C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001339707665 1337057708 /nfs/dbraw/zinc/05/77/08/1337057708.db2.gz RXJPMOCFABEUBR-FUHWJXTLSA-N 1 2 342.439 2.031 20 30 EEEDLO C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001339707665 1337057710 /nfs/dbraw/zinc/05/77/10/1337057710.db2.gz RXJPMOCFABEUBR-FUHWJXTLSA-N 1 2 342.439 2.031 20 30 EEEDLO C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001339707668 1337057776 /nfs/dbraw/zinc/05/77/76/1337057776.db2.gz RXJPMOCFABEUBR-WMZOPIPTSA-N 1 2 342.439 2.031 20 30 EEEDLO C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001339707668 1337057780 /nfs/dbraw/zinc/05/77/80/1337057780.db2.gz RXJPMOCFABEUBR-WMZOPIPTSA-N 1 2 342.439 2.031 20 30 EEEDLO C=CCn1c(C(F)F)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001340547011 1337205399 /nfs/dbraw/zinc/20/53/99/1337205399.db2.gz ISPNURKOCSVSPO-UHFFFAOYSA-N 1 2 334.374 2.119 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@H](O)CCCCC)n2CC(C)C)CC1 ZINC001342773272 1337321696 /nfs/dbraw/zinc/32/16/96/1337321696.db2.gz FPVHNFZTNZXLRZ-QGZVFWFLSA-N 1 2 347.507 2.303 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CC[N@@H+](CC(=C)Cl)C[C@@H]2O)CCCCC1 ZINC001100137452 1338057980 /nfs/dbraw/zinc/05/79/80/1338057980.db2.gz ZZQBIMFRIIRRHJ-HOTGVXAUSA-N 1 2 338.879 2.264 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CC[N@H+](CC(=C)Cl)C[C@@H]2O)CCCCC1 ZINC001100137452 1338057987 /nfs/dbraw/zinc/05/79/87/1338057987.db2.gz ZZQBIMFRIIRRHJ-HOTGVXAUSA-N 1 2 338.879 2.264 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100358991 1338309233 /nfs/dbraw/zinc/30/92/33/1338309233.db2.gz AUGXRDLDXSBILH-RDJZCZTQSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCC1(C(=O)NCCN(CC)c2[nH+]cnc3c2cnn3C)CCC1 ZINC001100706203 1338667751 /nfs/dbraw/zinc/66/77/51/1338667751.db2.gz TWPWGMIOVYERQM-UHFFFAOYSA-N 1 2 342.447 2.052 20 30 EEEDLO C=C(C)Cn1c([C@H](C)O)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001356341184 1338817510 /nfs/dbraw/zinc/81/75/10/1338817510.db2.gz PEIWKZKHAJWXAF-AWEZNQCLSA-N 1 2 342.447 2.383 20 30 EEEDLO COCCn1c(C[NH+]2CCCCC2)nnc1N1CCC(CC#N)CC1 ZINC001650399703 1353898236 /nfs/dbraw/zinc/89/82/36/1353898236.db2.gz GUSHRFHPKLANKY-UHFFFAOYSA-N 1 2 346.479 2.040 20 30 EEEDLO CCCCCC[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000072953035 1354335400 /nfs/dbraw/zinc/33/54/00/1354335400.db2.gz OBTUVFMIOIAKED-UHFFFAOYSA-N 1 2 335.473 2.445 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1(NC(C)=O)CCCCC1 ZINC001391055708 1389002571 /nfs/dbraw/zinc/00/25/71/1389002571.db2.gz OMTQMRZJNLYSDT-OAHLLOKOSA-N 1 2 341.883 2.159 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(NC(C)=O)CCCCC1 ZINC001391055708 1389002576 /nfs/dbraw/zinc/00/25/76/1389002576.db2.gz OMTQMRZJNLYSDT-OAHLLOKOSA-N 1 2 341.883 2.159 20 30 EEEDLO N#Cc1cccc(CN2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)c1 ZINC001686993880 1358529760 /nfs/dbraw/zinc/52/97/60/1358529760.db2.gz JBSIDFQBXQWINS-UHFFFAOYSA-N 1 2 345.406 2.393 20 30 EEEDLO COCC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001388640162 1387605513 /nfs/dbraw/zinc/60/55/13/1387605513.db2.gz SIXVQRWUWCMIHN-QGZVFWFLSA-N 1 2 329.444 2.264 20 30 EEEDLO COCC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001388640162 1387605519 /nfs/dbraw/zinc/60/55/19/1387605519.db2.gz SIXVQRWUWCMIHN-QGZVFWFLSA-N 1 2 329.444 2.264 20 30 EEEDLO C=CCCc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(=O)[nH]1 ZINC001185371295 1368152275 /nfs/dbraw/zinc/15/22/75/1368152275.db2.gz DJTHWURJJJJHNU-OAHLLOKOSA-N 1 2 338.411 2.310 20 30 EEEDLO C#CCCCCC(=O)N1CCC[N@@H+](Cc2cccnc2OC)CC1 ZINC001195541199 1368549828 /nfs/dbraw/zinc/54/98/28/1368549828.db2.gz OSWMXOCJRVREIG-UHFFFAOYSA-N 1 2 329.444 2.318 20 30 EEEDLO C#CCCCCC(=O)N1CCC[N@H+](Cc2cccnc2OC)CC1 ZINC001195541199 1368549834 /nfs/dbraw/zinc/54/98/34/1368549834.db2.gz OSWMXOCJRVREIG-UHFFFAOYSA-N 1 2 329.444 2.318 20 30 EEEDLO C=CCCCC(=O)N1CCCO[C@H](C[NH2+][C@H](C)c2nc(C)no2)C1 ZINC001201284233 1368797623 /nfs/dbraw/zinc/79/76/23/1368797623.db2.gz QXNUMGAPOWFKCI-UKRRQHHQSA-N 1 2 336.436 2.002 20 30 EEEDLO C=CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1sc(Cl)nc1C ZINC001201770550 1368843543 /nfs/dbraw/zinc/84/35/43/1368843543.db2.gz UEGBPZKANHTMDW-JTQLQIEISA-N 1 2 335.882 2.034 20 30 EEEDLO C=CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1sc(Cl)nc1C ZINC001201770550 1368843547 /nfs/dbraw/zinc/84/35/47/1368843547.db2.gz UEGBPZKANHTMDW-JTQLQIEISA-N 1 2 335.882 2.034 20 30 EEEDLO C#CCN(C(=O)Cc1ccccc1)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110631068 1369243039 /nfs/dbraw/zinc/24/30/39/1369243039.db2.gz HSMGBFDYISDAFW-UHFFFAOYSA-N 1 2 348.450 2.458 20 30 EEEDLO C=CCCC(=O)NC1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001069448724 1370127196 /nfs/dbraw/zinc/12/71/96/1370127196.db2.gz GUTNNOLMDRCEBQ-HUUCEWRRSA-N 1 2 344.459 2.367 20 30 EEEDLO C=CCCC(=O)NC1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001069448724 1370127200 /nfs/dbraw/zinc/12/72/00/1370127200.db2.gz GUTNNOLMDRCEBQ-HUUCEWRRSA-N 1 2 344.459 2.367 20 30 EEEDLO Cc1cnc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccccc3C#N)C2)cn1 ZINC001071324653 1370481174 /nfs/dbraw/zinc/48/11/74/1370481174.db2.gz OIAPPTVZMNHTNM-MAUKXSAKSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1cnc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ccccc3C#N)C2)cn1 ZINC001071324653 1370481179 /nfs/dbraw/zinc/48/11/79/1370481179.db2.gz OIAPPTVZMNHTNM-MAUKXSAKSA-N 1 2 349.438 2.440 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2cncn2C)C[N@@H+]1Cc1ccccc1C#N ZINC001071656240 1370545426 /nfs/dbraw/zinc/54/54/26/1370545426.db2.gz VOXAENDBMRURPV-RHSMWYFYSA-N 1 2 337.427 2.075 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2cncn2C)C[N@H+]1Cc1ccccc1C#N ZINC001071656240 1370545432 /nfs/dbraw/zinc/54/54/32/1370545432.db2.gz VOXAENDBMRURPV-RHSMWYFYSA-N 1 2 337.427 2.075 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H](C)CCCNc2[nH+]cnc3c2cnn3C)C1 ZINC001115067091 1371505036 /nfs/dbraw/zinc/50/50/36/1371505036.db2.gz HDQYVHKMBKPNNS-CYBMUJFWSA-N 1 2 342.447 2.416 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](C)CN(C)C(=O)CCCn2cc[nH+]c2)n1 ZINC001115761986 1371703671 /nfs/dbraw/zinc/70/36/71/1371703671.db2.gz KUCIKDQUTAHUFF-OAHLLOKOSA-N 1 2 340.431 2.197 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)c(C)cc2Cl)C1 ZINC001119471171 1371790996 /nfs/dbraw/zinc/79/09/96/1371790996.db2.gz BEUIBNOUHHFMCI-CQSZACIVSA-N 1 2 347.846 2.109 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)c(C)cc2Cl)C1 ZINC001119471171 1371791000 /nfs/dbraw/zinc/79/10/00/1371791000.db2.gz BEUIBNOUHHFMCI-CQSZACIVSA-N 1 2 347.846 2.109 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C[C@H]1C ZINC001123279987 1372115691 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332.448 2.321 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001115334867 1411009773 /nfs/dbraw/zinc/00/97/73/1411009773.db2.gz RWASFJAQNSSUPV-SZOQZIPDSA-N 1 2 347.459 2.110 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C(C)(C)C)o3)C[C@H]21 ZINC001115334867 1411009781 /nfs/dbraw/zinc/00/97/81/1411009781.db2.gz RWASFJAQNSSUPV-SZOQZIPDSA-N 1 2 347.459 2.110 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3ccncc3CC)c2C1 ZINC001069865433 1411076715 /nfs/dbraw/zinc/07/67/15/1411076715.db2.gz GPJOXRQFYHJLQK-UHFFFAOYSA-N 1 2 339.443 2.162 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3ccncc3CC)c2C1 ZINC001069865433 1411076727 /nfs/dbraw/zinc/07/67/27/1411076727.db2.gz GPJOXRQFYHJLQK-UHFFFAOYSA-N 1 2 339.443 2.162 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCC[C@H]4C[C@H]43)c2C1 ZINC001069865463 1411077106 /nfs/dbraw/zinc/07/71/06/1411077106.db2.gz HICBGQBQCWNQND-USXIJHARSA-N 1 2 328.460 2.327 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCC[C@H]4C[C@H]43)c2C1 ZINC001069865463 1411077115 /nfs/dbraw/zinc/07/71/15/1411077115.db2.gz HICBGQBQCWNQND-USXIJHARSA-N 1 2 328.460 2.327 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC000942341471 782256704 /nfs/dbraw/zinc/25/67/04/782256704.db2.gz AMXPEYNTWUJGRA-OAHLLOKOSA-N 1 2 344.459 2.151 20 30 EEEDLO CCc1oncc1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032018362 782396172 /nfs/dbraw/zinc/39/61/72/782396172.db2.gz FZFLHWMYWVLTRO-UHFFFAOYSA-N 1 2 342.374 2.110 20 30 EEEDLO CC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212183064 790312562 /nfs/dbraw/zinc/31/25/62/790312562.db2.gz QMXWQGZGHUFAIQ-DAXOMENPSA-N 1 2 335.473 2.371 20 30 EEEDLO CC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212183064 790312569 /nfs/dbraw/zinc/31/25/69/790312569.db2.gz QMXWQGZGHUFAIQ-DAXOMENPSA-N 1 2 335.473 2.371 20 30 EEEDLO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnc([C@H](C)OC)s1 ZINC001024440000 761374170 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C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4nn[nH]c43)C[C@@H]2C1 ZINC001087976739 782676987 /nfs/dbraw/zinc/67/69/87/782676987.db2.gz AYHYOTJKPQJMEG-OLZOCXBDSA-N 1 2 345.834 2.104 20 30 EEEDLO C=CCOc1ccc(CC(=O)NC2C[NH+](C[C@H]3CC[C@H](C)O3)C2)cc1 ZINC001031450066 768910659 /nfs/dbraw/zinc/91/06/59/768910659.db2.gz LFCIIMLMMPMUAM-HNAYVOBHSA-N 1 2 344.455 2.162 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ccncc3F)C2)cc1F ZINC001031587753 769893486 /nfs/dbraw/zinc/89/34/86/769893486.db2.gz RWQGTKPDDTZHAF-UHFFFAOYSA-N 1 2 342.349 2.093 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ncnn3CC)C[C@H]2C)CC1 ZINC000942600381 782825783 /nfs/dbraw/zinc/82/57/83/782825783.db2.gz OYAGDKOGFMPQDS-WBVHZDCISA-N 1 2 345.491 2.371 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ncnn3CC)C[C@H]2C)CC1 ZINC000942600381 782825788 /nfs/dbraw/zinc/82/57/88/782825788.db2.gz OYAGDKOGFMPQDS-WBVHZDCISA-N 1 2 345.491 2.371 20 30 EEEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)CC[C@H]1NC(=O)c1[nH]ncc1F ZINC000942601104 782828806 /nfs/dbraw/zinc/82/88/06/782828806.db2.gz ZTHFHEFGOLACOT-IINYFYTJSA-N 1 2 347.419 2.122 20 30 EEEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@H]1NC(=O)c1[nH]ncc1F ZINC000942601104 782828814 /nfs/dbraw/zinc/82/88/14/782828814.db2.gz ZTHFHEFGOLACOT-IINYFYTJSA-N 1 2 347.419 2.122 20 30 EEEDLO Cc1ncoc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001027808447 770398587 /nfs/dbraw/zinc/39/85/87/770398587.db2.gz KYZYDUZVQDMNOQ-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ncoc1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001027808447 770398598 /nfs/dbraw/zinc/39/85/98/770398598.db2.gz KYZYDUZVQDMNOQ-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001027812047 770447866 /nfs/dbraw/zinc/44/78/66/770447866.db2.gz CQTYQUHRQYGIJC-TZMCWYRMSA-N 1 2 327.388 2.138 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+]2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001027812047 770447871 /nfs/dbraw/zinc/44/78/71/770447871.db2.gz CQTYQUHRQYGIJC-TZMCWYRMSA-N 1 2 327.388 2.138 20 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/nfs/dbraw/zinc/55/79/54/773557954.db2.gz UMXYTZRTOXGUFE-GFCCVEGCSA-N 1 2 337.855 2.032 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC001027888436 774055248 /nfs/dbraw/zinc/05/52/48/774055248.db2.gz OYKWSZQQMDKYEQ-BBWFWOEESA-N 1 2 349.862 2.492 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC001027888436 774055252 /nfs/dbraw/zinc/05/52/52/774055252.db2.gz OYKWSZQQMDKYEQ-BBWFWOEESA-N 1 2 349.862 2.492 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cn2cccn2)o1 ZINC001027899805 774159339 /nfs/dbraw/zinc/15/93/39/774159339.db2.gz BVKNMAPLFCSNBF-AWEZNQCLSA-N 1 2 348.834 2.471 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Cn2cccn2)o1 ZINC001027899805 774159342 /nfs/dbraw/zinc/15/93/42/774159342.db2.gz BVKNMAPLFCSNBF-AWEZNQCLSA-N 1 2 348.834 2.471 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC000938587431 774168987 /nfs/dbraw/zinc/16/89/87/774168987.db2.gz RHRULSKGESZVFL-HOCLYGCPSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC000938587431 774168989 /nfs/dbraw/zinc/16/89/89/774168989.db2.gz RHRULSKGESZVFL-HOCLYGCPSA-N 1 2 344.459 2.004 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@H+]1Cc1ncc(C)o1 ZINC001027937107 774702787 /nfs/dbraw/zinc/70/27/87/774702787.db2.gz PJXOOAICLDVSOA-OAHLLOKOSA-N 1 2 328.416 2.365 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ncc(C)o1 ZINC001027937107 774702793 /nfs/dbraw/zinc/70/27/93/774702793.db2.gz PJXOOAICLDVSOA-OAHLLOKOSA-N 1 2 328.416 2.365 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cnc2[nH]ccc2c1 ZINC001031752145 774975384 /nfs/dbraw/zinc/97/53/84/774975384.db2.gz QWLJOVYNAYSHFJ-UHFFFAOYSA-N 1 2 344.418 2.228 20 30 EEEDLO CCO[C@H]1C[C@H]1C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000980750483 775444926 /nfs/dbraw/zinc/44/49/26/775444926.db2.gz IOXZLWNRARSQCX-AEFFLSMTSA-N 1 2 345.418 2.157 20 30 EEEDLO CCO[C@H]1C[C@H]1C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000980750483 775444933 /nfs/dbraw/zinc/44/49/33/775444933.db2.gz IOXZLWNRARSQCX-AEFFLSMTSA-N 1 2 345.418 2.157 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCOC3)CC2)c(F)c1 ZINC000980829057 775775605 /nfs/dbraw/zinc/77/56/05/775775605.db2.gz ZFMCNBPIZKAMRX-QGZVFWFLSA-N 1 2 345.418 2.158 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCOC3)CC2)c(F)c1 ZINC000980829057 775775610 /nfs/dbraw/zinc/77/56/10/775775610.db2.gz ZFMCNBPIZKAMRX-QGZVFWFLSA-N 1 2 345.418 2.158 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(CC(F)F)C1 ZINC001028099261 777595977 /nfs/dbraw/zinc/59/59/77/777595977.db2.gz LEFUWWHDJRHFQT-UONOGXRCSA-N 1 2 349.853 2.297 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(CC(F)F)C1 ZINC001028099261 777595985 /nfs/dbraw/zinc/59/59/85/777595985.db2.gz LEFUWWHDJRHFQT-UONOGXRCSA-N 1 2 349.853 2.297 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001091387696 790571802 /nfs/dbraw/zinc/57/18/02/790571802.db2.gz XHJOFJWYRLNZEX-OKILXGFUSA-N 1 2 341.390 2.291 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(Cl)n1 ZINC001028142318 778383484 /nfs/dbraw/zinc/38/34/84/778383484.db2.gz IVDYDCAWOOHNRY-XHSDSOJGSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)n1 ZINC001028142318 778383495 /nfs/dbraw/zinc/38/34/95/778383495.db2.gz IVDYDCAWOOHNRY-XHSDSOJGSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CCC[N@H+](Cc1nonc1C)C2 ZINC000981980086 778749170 /nfs/dbraw/zinc/74/91/70/778749170.db2.gz UGLRTPMAYCIJBB-QGZVFWFLSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CCC[N@@H+](Cc1nonc1C)C2 ZINC000981980086 778749176 /nfs/dbraw/zinc/74/91/76/778749176.db2.gz UGLRTPMAYCIJBB-QGZVFWFLSA-N 1 2 332.448 2.405 20 30 EEEDLO C#Cc1ccc(C(=O)NCC2C[NH+]([C@@H](C)c3cnc(C)cn3)C2)cc1 ZINC001031892255 778762424 /nfs/dbraw/zinc/76/24/24/778762424.db2.gz UKVVRYPWMMGNHF-HNNXBMFYSA-N 1 2 334.423 2.189 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCC[N@@H+](Cc1cn(CC)nn1)C2 ZINC000981987968 778779307 /nfs/dbraw/zinc/77/93/07/778779307.db2.gz QAKGGJBXTQMZMC-SFHVURJKSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCC[N@H+](Cc1cn(CC)nn1)C2 ZINC000981987968 778779313 /nfs/dbraw/zinc/77/93/13/778779313.db2.gz QAKGGJBXTQMZMC-SFHVURJKSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cscn1 ZINC001028194474 778823169 /nfs/dbraw/zinc/82/31/69/778823169.db2.gz AETGXUXNPDPALX-JYJNAYRXSA-N 1 2 335.473 2.205 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cscn1 ZINC001028194474 778823171 /nfs/dbraw/zinc/82/31/71/778823171.db2.gz AETGXUXNPDPALX-JYJNAYRXSA-N 1 2 335.473 2.205 20 30 EEEDLO Cc1nnc([C@H](C)[N@@H+]2C[C@@]3(C)CN(C(=O)[C@H](C)C#N)C[C@@]3(C)C2)s1 ZINC000982237107 779362827 /nfs/dbraw/zinc/36/28/27/779362827.db2.gz VTUGOPVFFNTDRQ-AWBCAMRRSA-N 1 2 347.488 2.238 20 30 EEEDLO Cc1nnc([C@H](C)[N@H+]2C[C@@]3(C)CN(C(=O)[C@H](C)C#N)C[C@@]3(C)C2)s1 ZINC000982237107 779362832 /nfs/dbraw/zinc/36/28/32/779362832.db2.gz VTUGOPVFFNTDRQ-AWBCAMRRSA-N 1 2 347.488 2.238 20 30 EEEDLO Cc1conc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001028247725 779629466 /nfs/dbraw/zinc/62/94/66/779629466.db2.gz VEKNSVIUHTUMKZ-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1conc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001028247725 779629470 /nfs/dbraw/zinc/62/94/70/779629470.db2.gz VEKNSVIUHTUMKZ-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2CCc3cccnc32)C1 ZINC001031930547 779989031 /nfs/dbraw/zinc/98/90/31/779989031.db2.gz ZDGIJRLWTILTNP-IBGZPJMESA-N 1 2 346.434 2.231 20 30 EEEDLO NC(=O)c1ccc(C(=[NH2+])Nc2ccc3c4c(ccnc24)CCO3)cc1 ZINC001171258548 790774318 /nfs/dbraw/zinc/77/43/18/790774318.db2.gz DENBAXRFSRSFKT-UHFFFAOYSA-N 1 2 332.363 2.306 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000941386882 780441025 /nfs/dbraw/zinc/44/10/25/780441025.db2.gz UMSOXRZPSILOTE-CQSZACIVSA-N 1 2 340.427 2.496 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N(C)CCCN(C)c1[nH+]cnc2c1cnn2C ZINC001112155089 781546235 /nfs/dbraw/zinc/54/62/35/781546235.db2.gz KQNYBVUCCWJLTL-UONOGXRCSA-N 1 2 344.463 2.106 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCOC2)[C@H]1CC ZINC001087516322 781634895 /nfs/dbraw/zinc/63/48/95/781634895.db2.gz WCBNZLBMYFCNNK-HZSPNIEDSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCOC2)[C@H]1CC ZINC001087516322 781634898 /nfs/dbraw/zinc/63/48/98/781634898.db2.gz WCBNZLBMYFCNNK-HZSPNIEDSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)c2ncc(C)o2)C1 ZINC001032047818 783238262 /nfs/dbraw/zinc/23/82/62/783238262.db2.gz NSXLSTRCJGSQCG-BPUTZDHNSA-N 1 2 333.432 2.073 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000942852522 783361368 /nfs/dbraw/zinc/36/13/68/783361368.db2.gz XQXYWLUUDUANJW-RRFJBIMHSA-N 1 2 344.459 2.175 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000942852522 783361377 /nfs/dbraw/zinc/36/13/77/783361377.db2.gz XQXYWLUUDUANJW-RRFJBIMHSA-N 1 2 344.459 2.175 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3(CC)CCCC3)C2)nn1 ZINC001098761254 790960643 /nfs/dbraw/zinc/96/06/43/790960643.db2.gz CXNSSPINCGYVSB-QGZVFWFLSA-N 1 2 343.475 2.135 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccnn2C2CCCC2)C1 ZINC001035386758 784425552 /nfs/dbraw/zinc/42/55/52/784425552.db2.gz QRGWWQJGWUYTTJ-INIZCTEOSA-N 1 2 332.448 2.005 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccnn2C2CCCC2)C1 ZINC001035386758 784425558 /nfs/dbraw/zinc/42/55/58/784425558.db2.gz QRGWWQJGWUYTTJ-INIZCTEOSA-N 1 2 332.448 2.005 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC001035389849 784431007 /nfs/dbraw/zinc/43/10/07/784431007.db2.gz RCDWYUGMMQOTBO-MRXNPFEDSA-N 1 2 340.427 2.083 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC001035389849 784431012 /nfs/dbraw/zinc/43/10/12/784431012.db2.gz RCDWYUGMMQOTBO-MRXNPFEDSA-N 1 2 340.427 2.083 20 30 EEEDLO C=C(C)CCC(=O)N(C)C1CC(Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001127009326 784432473 /nfs/dbraw/zinc/43/24/73/784432473.db2.gz ALSVCUMCSSYASN-UHFFFAOYSA-N 1 2 343.475 2.222 20 30 EEEDLO C=C(C)CCC(=O)N(C)C1CC(Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001127009326 784432482 /nfs/dbraw/zinc/43/24/82/784432482.db2.gz ALSVCUMCSSYASN-UHFFFAOYSA-N 1 2 343.475 2.222 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c(F)c(F)cc(F)c2F)C1 ZINC001035380150 784459562 /nfs/dbraw/zinc/45/95/62/784459562.db2.gz VBPPGPXNGRPAND-SNVBAGLBSA-N 1 2 346.324 2.250 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2c(F)c(F)cc(F)c2F)C1 ZINC001035380150 784459569 /nfs/dbraw/zinc/45/95/69/784459569.db2.gz VBPPGPXNGRPAND-SNVBAGLBSA-N 1 2 346.324 2.250 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc3nc(C)oc3c2)C1 ZINC001035405202 784475322 /nfs/dbraw/zinc/47/53/22/784475322.db2.gz UOJUOQSGXBSVPZ-OAHLLOKOSA-N 1 2 329.400 2.143 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc3nc(C)oc3c2)C1 ZINC001035405202 784475325 /nfs/dbraw/zinc/47/53/25/784475325.db2.gz UOJUOQSGXBSVPZ-OAHLLOKOSA-N 1 2 329.400 2.143 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cncc3sccc32)C1 ZINC001035484058 784566429 /nfs/dbraw/zinc/56/64/29/784566429.db2.gz WQSFINFANNCLBD-ZDUSSCGKSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cncc3sccc32)C1 ZINC001035484058 784566437 /nfs/dbraw/zinc/56/64/37/784566437.db2.gz WQSFINFANNCLBD-ZDUSSCGKSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)c(F)cc2F)C1 ZINC001035487807 784573091 /nfs/dbraw/zinc/57/30/91/784573091.db2.gz NRJMSFMCDCUSRU-NSHDSACASA-N 1 2 328.334 2.111 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(F)c(F)cc2F)C1 ZINC001035487807 784573094 /nfs/dbraw/zinc/57/30/94/784573094.db2.gz NRJMSFMCDCUSRU-NSHDSACASA-N 1 2 328.334 2.111 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(F)c(Cl)c2F)C1 ZINC001035494027 784627552 /nfs/dbraw/zinc/62/75/52/784627552.db2.gz SFYNAQKGXQFNOM-JTQLQIEISA-N 1 2 330.762 2.235 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(F)c(Cl)c2F)C1 ZINC001035494027 784627559 /nfs/dbraw/zinc/62/75/59/784627559.db2.gz SFYNAQKGXQFNOM-JTQLQIEISA-N 1 2 330.762 2.235 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2nccc3ccccc32)C1 ZINC001035494744 784628980 /nfs/dbraw/zinc/62/89/80/784628980.db2.gz CCBIWTZMHZSHTL-INIZCTEOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2nccc3ccccc32)C1 ZINC001035494744 784628988 /nfs/dbraw/zinc/62/89/88/784628988.db2.gz CCBIWTZMHZSHTL-INIZCTEOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091516546 791043594 /nfs/dbraw/zinc/04/35/94/791043594.db2.gz DFFAIJUFNAYHGU-HDJSIYSDSA-N 1 2 346.479 2.155 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091516570 791043920 /nfs/dbraw/zinc/04/39/20/791043920.db2.gz FSTGUVBVTMFARH-JOCQHMNTSA-N 1 2 342.447 2.272 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2sc(C(C)C)nc2C)C1 ZINC001035601421 784759854 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C#CCOCCC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907813913 784880941 /nfs/dbraw/zinc/88/09/41/784880941.db2.gz BWVZIQCEYWXVKP-OAHLLOKOSA-N 1 2 329.444 2.471 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907813913 784880949 /nfs/dbraw/zinc/88/09/49/784880949.db2.gz BWVZIQCEYWXVKP-OAHLLOKOSA-N 1 2 329.444 2.471 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(F)(F)C(F)F)nc1 ZINC001135958171 784893220 /nfs/dbraw/zinc/89/32/20/784893220.db2.gz DIWBIMCPSPDHJB-MNOVXSKESA-N 1 2 345.340 2.450 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)c(F)cc2F)[C@@H](O)C1 ZINC001090526110 785001715 /nfs/dbraw/zinc/00/17/15/785001715.db2.gz AJEXCPNUKXXKBK-KGLIPLIRSA-N 1 2 348.752 2.021 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(F)c(F)cc2F)[C@@H](O)C1 ZINC001090526110 785001723 /nfs/dbraw/zinc/00/17/23/785001723.db2.gz AJEXCPNUKXXKBK-KGLIPLIRSA-N 1 2 348.752 2.021 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CCc1ncccn1)CC2 ZINC001035821444 785178596 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CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC001032409308 789239564 /nfs/dbraw/zinc/23/95/64/789239564.db2.gz JXVOXTBVPLYMGV-VNTMZGSJSA-N 1 2 338.451 2.115 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC001032409308 789239573 /nfs/dbraw/zinc/23/95/73/789239573.db2.gz JXVOXTBVPLYMGV-VNTMZGSJSA-N 1 2 338.451 2.115 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC(OC2C[NH+](CCOC(C)C)C2)CC1 ZINC001105720253 789240786 /nfs/dbraw/zinc/24/07/86/789240786.db2.gz XCKIYAIFPVTGMZ-UHFFFAOYSA-N 1 2 338.492 2.315 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)C3(CC)CC3)CC2)C1 ZINC001105721698 789250871 /nfs/dbraw/zinc/25/08/71/789250871.db2.gz ISWFLMWNMQOYIR-UHFFFAOYSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)C3CC4(CC4)C3)CC2)C1 ZINC001105723717 789255397 /nfs/dbraw/zinc/25/53/97/789255397.db2.gz GISAVFVAXVGESY-UHFFFAOYSA-N 1 2 348.487 2.071 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](OCC)C2=CCCC2)C1 ZINC001107943408 789600631 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/nfs/dbraw/zinc/69/92/93/798699293.db2.gz YQFUJTMCBXYTBN-MOPGFXCFSA-N 1 2 348.487 2.259 20 30 EEEDLO C#CCC1(C(=O)N2CC[C@@H]3OCC[N@@H+](CC=C(C)C)[C@H]3C2)CCC1 ZINC001177031724 798707052 /nfs/dbraw/zinc/70/70/52/798707052.db2.gz XFFWBEGMJQZZLP-ROUUACIJSA-N 1 2 330.472 2.448 20 30 EEEDLO C#CCC1(C(=O)N2CC[C@@H]3OCC[N@H+](CC=C(C)C)[C@H]3C2)CCC1 ZINC001177031724 798707057 /nfs/dbraw/zinc/70/70/57/798707057.db2.gz XFFWBEGMJQZZLP-ROUUACIJSA-N 1 2 330.472 2.448 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@@H+](CCOCC)[C@@H]3C2)CCC1 ZINC001177101839 798750750 /nfs/dbraw/zinc/75/07/50/798750750.db2.gz PIAOYJZZMSVEII-IAGOWNOFSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@H+](CCOCC)[C@@H]3C2)CCC1 ZINC001177101839 798750757 /nfs/dbraw/zinc/75/07/57/798750757.db2.gz PIAOYJZZMSVEII-IAGOWNOFSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CC2)CCCC1 ZINC001110212628 799057133 /nfs/dbraw/zinc/05/71/33/799057133.db2.gz HICIDEJHFAZPNL-IKGGRYGDSA-N 1 2 345.487 2.123 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CC2)CCCC1 ZINC001110212628 799057141 /nfs/dbraw/zinc/05/71/41/799057141.db2.gz HICIDEJHFAZPNL-IKGGRYGDSA-N 1 2 345.487 2.123 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@](C)(C=C)CC)CC2)C1 ZINC001065692274 799367938 /nfs/dbraw/zinc/36/79/38/799367938.db2.gz BACJHJPDJJOORZ-FXAWDEMLSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCCC1(C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)CCC)CC3)C2)CC1 ZINC001065713056 799412476 /nfs/dbraw/zinc/41/24/76/799412476.db2.gz KYUKVMQJHGHSDV-QGZVFWFLSA-N 1 2 347.503 2.278 20 30 EEEDLO CC(C)C#CC(=O)N1CC[C@H]([NH2+]Cc2nc(C3CCCC3)no2)[C@@H]1C ZINC001178648754 799562008 /nfs/dbraw/zinc/56/20/08/799562008.db2.gz KIETXNNNDQNMJC-HOCLYGCPSA-N 1 2 344.459 2.466 20 30 EEEDLO Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001090033611 800055060 /nfs/dbraw/zinc/05/50/60/800055060.db2.gz KYMKNPMBZICWNV-UXHICEINSA-N 1 2 349.434 2.232 20 30 EEEDLO Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001090033611 800055068 /nfs/dbraw/zinc/05/50/68/800055068.db2.gz KYMKNPMBZICWNV-UXHICEINSA-N 1 2 349.434 2.232 20 30 EEEDLO Cc1nc(N2CC[C@H]3[C@H]2CCCN3C(=O)C#CC2CC2)c(C)c(C)[nH+]1 ZINC001066148966 800069387 /nfs/dbraw/zinc/06/93/87/800069387.db2.gz VRNBAHJRBOPDLY-MSOLQXFVSA-N 1 2 338.455 2.385 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C)C2 ZINC001110238765 800539536 /nfs/dbraw/zinc/53/95/36/800539536.db2.gz AWQXGFQZQSNDDL-YJNKXOJESA-N 1 2 347.484 2.082 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C)C2 ZINC001110238765 800539541 /nfs/dbraw/zinc/53/95/41/800539541.db2.gz AWQXGFQZQSNDDL-YJNKXOJESA-N 1 2 347.484 2.082 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001066261481 800560279 /nfs/dbraw/zinc/56/02/79/800560279.db2.gz QHHPFFGLJYRULE-HNNXBMFYSA-N 1 2 332.448 2.196 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001066261481 800560284 /nfs/dbraw/zinc/56/02/84/800560284.db2.gz QHHPFFGLJYRULE-HNNXBMFYSA-N 1 2 332.448 2.196 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc[nH]1 ZINC001085484047 800612813 /nfs/dbraw/zinc/61/28/13/800612813.db2.gz UEDOLLHZGINKPQ-INIZCTEOSA-N 1 2 338.411 2.241 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc[nH]1 ZINC001085484047 800612817 /nfs/dbraw/zinc/61/28/17/800612817.db2.gz UEDOLLHZGINKPQ-INIZCTEOSA-N 1 2 338.411 2.241 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)c1cn[nH]c1 ZINC001085499198 800640957 /nfs/dbraw/zinc/64/09/57/800640957.db2.gz WGOINAVBAGOIRJ-KRWDZBQOSA-N 1 2 342.830 2.261 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)c1cn[nH]c1 ZINC001085499198 800640963 /nfs/dbraw/zinc/64/09/63/800640963.db2.gz WGOINAVBAGOIRJ-KRWDZBQOSA-N 1 2 342.830 2.261 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1ccc(F)nc1 ZINC001085517892 800686212 /nfs/dbraw/zinc/68/62/12/800686212.db2.gz DRZBZNSUWNOCTQ-GOSISDBHSA-N 1 2 337.398 2.419 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)c1ccc(F)nc1 ZINC001085517892 800686215 /nfs/dbraw/zinc/68/62/15/800686215.db2.gz DRZBZNSUWNOCTQ-GOSISDBHSA-N 1 2 337.398 2.419 20 30 EEEDLO CCOC1CC(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)C1 ZINC001085573576 800794745 /nfs/dbraw/zinc/79/47/45/800794745.db2.gz AFLHNNZSMQBGNH-SHARSMKWSA-N 1 2 347.484 2.468 20 30 EEEDLO CCOC1CC(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)C1 ZINC001085573576 800794747 /nfs/dbraw/zinc/79/47/47/800794747.db2.gz AFLHNNZSMQBGNH-SHARSMKWSA-N 1 2 347.484 2.468 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1coc(Br)c1 ZINC001085628752 800927411 /nfs/dbraw/zinc/92/74/11/800927411.db2.gz FGSOQQDZBPZIKG-LBPRGKRZSA-N 1 2 325.206 2.212 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1coc(Br)c1 ZINC001085628752 800927416 /nfs/dbraw/zinc/92/74/16/800927416.db2.gz FGSOQQDZBPZIKG-LBPRGKRZSA-N 1 2 325.206 2.212 20 30 EEEDLO CC[NH+](CC)[C@H](C(=O)N1CCNC[C@@H]1C#N)c1ccccc1Cl ZINC001182221800 801075844 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30 EEEDLO COc1cc(C)cnc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004459343 802126095 /nfs/dbraw/zinc/12/60/95/802126095.db2.gz SYIAGWNPYPJEGG-INIZCTEOSA-N 1 2 342.443 2.239 20 30 EEEDLO COc1cc(C)cnc1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004459343 802126098 /nfs/dbraw/zinc/12/60/98/802126098.db2.gz SYIAGWNPYPJEGG-INIZCTEOSA-N 1 2 342.443 2.239 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccnc(C3CC3)n2)CC1 ZINC001004567640 802384982 /nfs/dbraw/zinc/38/49/82/802384982.db2.gz JWITZJRLWZWIIT-QGZVFWFLSA-N 1 2 339.443 2.194 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccnc(C3CC3)n2)CC1 ZINC001004567640 802384992 /nfs/dbraw/zinc/38/49/92/802384992.db2.gz JWITZJRLWZWIIT-QGZVFWFLSA-N 1 2 339.443 2.194 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001066432293 802403956 /nfs/dbraw/zinc/40/39/56/802403956.db2.gz URAXUWQONFGGNS-HZPDHXFCSA-N 1 2 346.475 2.360 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccn(C(CC)CC)n2)C1 ZINC001108260176 802696522 /nfs/dbraw/zinc/69/65/22/802696522.db2.gz IMIBCVYFBIXDPO-GOSISDBHSA-N 1 2 334.464 2.251 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccn(C(CC)CC)n2)C1 ZINC001108260176 802696525 /nfs/dbraw/zinc/69/65/25/802696525.db2.gz IMIBCVYFBIXDPO-GOSISDBHSA-N 1 2 334.464 2.251 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001066527940 802937903 /nfs/dbraw/zinc/93/79/03/802937903.db2.gz WXVXBJFWMGWTOA-HUUCEWRRSA-N 1 2 344.459 2.293 20 30 EEEDLO CN(C(=O)c1ccsn1)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033181633 802981201 /nfs/dbraw/zinc/98/12/01/802981201.db2.gz HMKFWXLQSBPLHI-MRXNPFEDSA-N 1 2 343.427 2.480 20 30 EEEDLO CN(C(=O)c1ccsn1)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033181633 802981208 /nfs/dbraw/zinc/98/12/08/802981208.db2.gz HMKFWXLQSBPLHI-MRXNPFEDSA-N 1 2 343.427 2.480 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC2(F)F)C1 ZINC001033189430 803017878 /nfs/dbraw/zinc/01/78/78/803017878.db2.gz OMEYCFDZJHYHJT-GHMZBOCLSA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC2(F)F)C1 ZINC001033189430 803017884 /nfs/dbraw/zinc/01/78/84/803017884.db2.gz OMEYCFDZJHYHJT-GHMZBOCLSA-N 1 2 337.208 2.473 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)c2ccccc2F)C1 ZINC001108279404 803056148 /nfs/dbraw/zinc/05/61/48/803056148.db2.gz CXNBEGZCXOBAQN-HXUWFJFHSA-N 1 2 346.446 2.334 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)c2ccccc2F)C1 ZINC001108279404 803056155 /nfs/dbraw/zinc/05/61/55/803056155.db2.gz CXNBEGZCXOBAQN-HXUWFJFHSA-N 1 2 346.446 2.334 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c(C)nc3ccnn3c2C)C1 ZINC001033208579 803248058 /nfs/dbraw/zinc/24/80/58/803248058.db2.gz RVYBPKHASISXKM-AWEZNQCLSA-N 1 2 347.850 2.245 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c(C)nc3ccnn3c2C)C1 ZINC001033208579 803248060 /nfs/dbraw/zinc/24/80/60/803248060.db2.gz RVYBPKHASISXKM-AWEZNQCLSA-N 1 2 347.850 2.245 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(CCOCC)CCCC2)C1 ZINC001108304763 803264021 /nfs/dbraw/zinc/26/40/21/803264021.db2.gz MPWSAPMLNLOSTD-GOSISDBHSA-N 1 2 338.492 2.367 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2(CCOCC)CCCC2)C1 ZINC001108304763 803264027 /nfs/dbraw/zinc/26/40/27/803264027.db2.gz MPWSAPMLNLOSTD-GOSISDBHSA-N 1 2 338.492 2.367 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001108434657 803566523 /nfs/dbraw/zinc/56/65/23/803566523.db2.gz UUYIXEYAOFSTEV-OXJNMPFZSA-N 1 2 346.446 2.235 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001108434657 803566525 /nfs/dbraw/zinc/56/65/25/803566525.db2.gz UUYIXEYAOFSTEV-OXJNMPFZSA-N 1 2 346.446 2.235 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C[C@H](C)CCC=C(C)C)CC2=O)C1 ZINC001108575593 804151695 /nfs/dbraw/zinc/15/16/95/804151695.db2.gz DTTSAANHJULWQD-IAGOWNOFSA-N 1 2 347.503 2.346 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H](CC)CC3CCCC3)CC2=O)C1 ZINC001108576379 804156408 /nfs/dbraw/zinc/15/64/08/804156408.db2.gz RVYPWZHISZQURN-SJORKVTESA-N 1 2 347.503 2.180 20 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RDFHHNTTXMSBNL-UHFFFAOYSA-N 1 2 331.460 2.249 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC(=C)Cl)C[C@@H]2O)CCCC1 ZINC001100145492 807873279 /nfs/dbraw/zinc/87/32/79/807873279.db2.gz LRWDXVQAKRPRTC-GJZGRUSLSA-N 1 2 326.868 2.427 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC(=C)Cl)C[C@@H]2O)CCCC1 ZINC001100145492 807873288 /nfs/dbraw/zinc/87/32/88/807873288.db2.gz LRWDXVQAKRPRTC-GJZGRUSLSA-N 1 2 326.868 2.427 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](C)[C@H](C)NC(=O)CCCn2cc[nH+]c2)n1 ZINC001113078084 808060829 /nfs/dbraw/zinc/06/08/29/808060829.db2.gz WSAFMDJYYVRJMR-LSDHHAIUSA-N 1 2 340.431 2.244 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H](C)[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001113174049 808332981 /nfs/dbraw/zinc/33/29/81/808332981.db2.gz XJPDMAFBUFZCAR-OLZOCXBDSA-N 1 2 342.447 2.437 20 30 EEEDLO CCC[C@H](OC)C(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001113186659 808409198 /nfs/dbraw/zinc/40/91/98/808409198.db2.gz CEMLESIKSQPAJU-SFHVURJKSA-N 1 2 345.443 2.048 20 30 EEEDLO C#CCCCCCC(=O)N1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC001113205571 808428785 /nfs/dbraw/zinc/42/87/85/808428785.db2.gz XHQYCYCFFKFWPL-CQSZACIVSA-N 1 2 334.382 2.028 20 30 EEEDLO C[C@@H](Nc1ncccc1C#N)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001113220167 808467530 /nfs/dbraw/zinc/46/75/30/808467530.db2.gz MMRXDADWJLCTHP-OLZOCXBDSA-N 1 2 334.383 2.220 20 30 EEEDLO CC#CCCCC(=O)N1CC[NH+](C[C@@H](O)c2cccc(OC)c2)CC1 ZINC001113232089 808502842 /nfs/dbraw/zinc/50/28/42/808502842.db2.gz CWNGLOJFPNYRCE-LJQANCHMSA-N 1 2 344.455 2.066 20 30 EEEDLO C=CCCCC(=O)N[C@@H](C)[C@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001113296301 808649929 /nfs/dbraw/zinc/64/99/29/808649929.db2.gz KDYFDBJRTPCSQG-KBPBESRZSA-N 1 2 331.464 2.126 20 30 EEEDLO C=CCCCC(=O)N[C@@H](C)[C@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001113296301 808649934 /nfs/dbraw/zinc/64/99/34/808649934.db2.gz KDYFDBJRTPCSQG-KBPBESRZSA-N 1 2 331.464 2.126 20 30 EEEDLO C=CCCCC(=O)N[C@@H](C)[C@@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001113296303 808650026 /nfs/dbraw/zinc/65/00/26/808650026.db2.gz KDYFDBJRTPCSQG-UONOGXRCSA-N 1 2 331.464 2.126 20 30 EEEDLO C=CCCCC(=O)N[C@@H](C)[C@@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001113296303 808650030 /nfs/dbraw/zinc/65/00/30/808650030.db2.gz KDYFDBJRTPCSQG-UONOGXRCSA-N 1 2 331.464 2.126 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(C#N)nn2)c(C)[nH+]1 ZINC001113381584 808865189 /nfs/dbraw/zinc/86/51/89/808865189.db2.gz BZIRBKFLNNZDKA-CHWSQXEVSA-N 1 2 338.415 2.287 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](C)N(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001113821859 809851296 /nfs/dbraw/zinc/85/12/96/809851296.db2.gz IHRLHQJZADODEQ-CABCVRRESA-N 1 2 345.491 2.008 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](C)N(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001113821859 809851301 /nfs/dbraw/zinc/85/13/01/809851301.db2.gz IHRLHQJZADODEQ-CABCVRRESA-N 1 2 345.491 2.008 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001113851526 809956161 /nfs/dbraw/zinc/95/61/61/809956161.db2.gz MNYJKSIIAJVSOZ-AUUYWEPGSA-N 1 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C=CCOc1ccccc1C(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001130374247 811525768 /nfs/dbraw/zinc/52/57/68/811525768.db2.gz MQGNPTXGVLZNPR-LBPRGKRZSA-N 1 2 332.429 2.184 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@H+](Cc3cscn3)C2)C1 ZINC001131650921 813081254 /nfs/dbraw/zinc/08/12/54/813081254.db2.gz YMBBKRDOCMXJHI-RHSMWYFYSA-N 1 2 335.473 2.301 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@@H+](Cc3cscn3)C2)C1 ZINC001131650921 813081264 /nfs/dbraw/zinc/08/12/64/813081264.db2.gz YMBBKRDOCMXJHI-RHSMWYFYSA-N 1 2 335.473 2.301 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc(-n2ccnn2)cc1 ZINC001437647289 1090167846 /nfs/dbraw/zinc/16/78/46/1090167846.db2.gz VXNMAZJSAOPAFX-UHFFFAOYSA-N 1 2 333.823 2.072 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc(-n2ccnn2)cc1 ZINC001437647289 1090167849 /nfs/dbraw/zinc/16/78/49/1090167849.db2.gz VXNMAZJSAOPAFX-UHFFFAOYSA-N 1 2 333.823 2.072 20 30 EEEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)C[C@@H]1CCCOC1)C1CC1 ZINC001437822567 1090414186 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337.851 2.472 20 30 EEEDLO C[N@H+](CCNC(=O)c1cncnc1C1CC1)Cc1ccccc1C#N ZINC001442589718 1096958289 /nfs/dbraw/zinc/95/82/89/1096958289.db2.gz PZNHDZWYUPEPMK-UHFFFAOYSA-N 1 2 335.411 2.087 20 30 EEEDLO C[N@@H+](CCNC(=O)c1cncnc1C1CC1)Cc1ccccc1C#N ZINC001442589718 1096958297 /nfs/dbraw/zinc/95/82/97/1096958297.db2.gz PZNHDZWYUPEPMK-UHFFFAOYSA-N 1 2 335.411 2.087 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CCCN1C(=O)CCC)C1CC1 ZINC001443064493 1097474395 /nfs/dbraw/zinc/47/43/95/1097474395.db2.gz XCDFPNXSVLHMJL-OAHLLOKOSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CCCN1C(=O)CCC)C1CC1 ZINC001443064493 1097474400 /nfs/dbraw/zinc/47/44/00/1097474400.db2.gz XCDFPNXSVLHMJL-OAHLLOKOSA-N 1 2 341.883 2.111 20 30 EEEDLO Cc1nccn1CCCC(=O)NC[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001480553987 1100391661 /nfs/dbraw/zinc/39/16/61/1100391661.db2.gz HLCGKANBVRSZIS-HNNXBMFYSA-N 1 2 339.443 2.138 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCc2nc3ccccc3[nH]2)C1 ZINC001494569388 1104156723 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C[C@@H](CNC(=O)c1ccc2[nH]nnc2c1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001506054649 1114379690 /nfs/dbraw/zinc/37/96/90/1114379690.db2.gz QYPKAYCPYOTHCN-ZDUSSCGKSA-N 1 2 348.410 2.080 20 30 EEEDLO C=CCC[C@@H]1CCCN1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001517550512 1119036318 /nfs/dbraw/zinc/03/63/18/1119036318.db2.gz ZZIFDCKUOJHSKD-QGZVFWFLSA-N 1 2 347.463 2.178 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001520325795 1119146297 /nfs/dbraw/zinc/14/62/97/1119146297.db2.gz MMUHZBZNJCQWGO-DLBZAZTESA-N 1 2 345.491 2.313 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc3nccnc3c2)[C@H]1CC ZINC001087605349 781926648 /nfs/dbraw/zinc/92/66/48/781926648.db2.gz VEDINHDVJJAPTA-DZGCQCFKSA-N 1 2 345.834 2.360 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc3nccnc3c2)[C@H]1CC ZINC001087605349 781926655 /nfs/dbraw/zinc/92/66/55/781926655.db2.gz VEDINHDVJJAPTA-DZGCQCFKSA-N 1 2 345.834 2.360 20 30 EEEDLO O=C(NCc1n[nH]c(=O)[nH]1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329256581 539769555 /nfs/dbraw/zinc/76/95/55/539769555.db2.gz AYNNKZQBPMJVTF-LBPRGKRZSA-N 1 2 344.419 2.474 20 30 EEEDLO [O-]C(=[NH+]c1nc2c(s1)COCC2)N1CCC(n2cc[nH+]c2)CC1 ZINC000329569244 539776823 /nfs/dbraw/zinc/77/68/23/539776823.db2.gz PSIQUPQUKGUHIE-UHFFFAOYSA-N 1 2 333.417 2.295 20 30 EEEDLO O=C(Nc1nc2c(s1)COCC2)N1CCC(n2cc[nH+]c2)CC1 ZINC000329569244 539776828 /nfs/dbraw/zinc/77/68/28/539776828.db2.gz PSIQUPQUKGUHIE-UHFFFAOYSA-N 1 2 333.417 2.295 20 30 EEEDLO CC(C)N1CC[C@@H](NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1=O ZINC000329704874 539781234 /nfs/dbraw/zinc/78/12/34/539781234.db2.gz JSHBPUIZVOPTNU-RHSMWYFYSA-N 1 2 329.444 2.399 20 30 EEEDLO CC(C)N1CC[C@@H](NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)C1=O ZINC000329704874 539781238 /nfs/dbraw/zinc/78/12/38/539781238.db2.gz JSHBPUIZVOPTNU-RHSMWYFYSA-N 1 2 329.444 2.399 20 30 EEEDLO N#CCCCOc1cccc(C[NH2+]Cc2nnnn2CC2CC2)c1 ZINC000349667089 238192159 /nfs/dbraw/zinc/19/21/59/238192159.db2.gz MAANQEMYBJXQKF-UHFFFAOYSA-N 1 2 326.404 2.055 20 30 EEEDLO C=CC[C@@H](C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000427097539 241374478 /nfs/dbraw/zinc/37/44/78/241374478.db2.gz UFZBFENIRKQENE-LJQANCHMSA-N 1 2 338.455 2.424 20 30 EEEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451364438 243091011 /nfs/dbraw/zinc/09/10/11/243091011.db2.gz WBJHPTJCPBDULM-VXGBXAGGSA-N 1 2 341.864 2.119 20 30 EEEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451364438 243091014 /nfs/dbraw/zinc/09/10/14/243091014.db2.gz WBJHPTJCPBDULM-VXGBXAGGSA-N 1 2 341.864 2.119 20 30 EEEDLO O=C(C#Cc1ccccc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000080496116 217308527 /nfs/dbraw/zinc/30/85/27/217308527.db2.gz ZZPPRGWFKGZNRP-UHFFFAOYSA-N 1 2 334.419 2.187 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCCN(CC(C)(C)C)C2=O)n1 ZINC000491362999 246004976 /nfs/dbraw/zinc/00/49/76/246004976.db2.gz WRFXNTLKWIRAHD-KRWDZBQOSA-N 1 2 330.476 2.375 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@H]2CCCN(CC(C)(C)C)C2=O)n1 ZINC000491362999 246004978 /nfs/dbraw/zinc/00/49/78/246004978.db2.gz WRFXNTLKWIRAHD-KRWDZBQOSA-N 1 2 330.476 2.375 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)n1 ZINC000491554982 246071999 /nfs/dbraw/zinc/07/19/99/246071999.db2.gz NWXXABGPUCQAMN-BBWFWOEESA-N 1 2 330.476 2.231 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)n1 ZINC000491554982 246072002 /nfs/dbraw/zinc/07/20/02/246072002.db2.gz NWXXABGPUCQAMN-BBWFWOEESA-N 1 2 330.476 2.231 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NCCc2ccccc2)n1 ZINC000491671822 246105095 /nfs/dbraw/zinc/10/50/95/246105095.db2.gz SKNDJBSGNNOITO-QGZVFWFLSA-N 1 2 338.455 2.086 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NCCc2ccccc2)n1 ZINC000491671822 246105099 /nfs/dbraw/zinc/10/50/99/246105099.db2.gz SKNDJBSGNNOITO-QGZVFWFLSA-N 1 2 338.455 2.086 20 30 EEEDLO C#C[C@H](NC(=O)[C@H](c1c[nH+]cn1C)N(C)C)c1ccc(Cl)cc1 ZINC000491804180 246161445 /nfs/dbraw/zinc/16/14/45/246161445.db2.gz LDYGBMXPCUARTH-HOCLYGCPSA-N 1 2 330.819 2.167 20 30 EEEDLO Cc1cc(NC[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)c(C#N)c[nH+]1 ZINC000496096354 247315985 /nfs/dbraw/zinc/31/59/85/247315985.db2.gz YERZSZCASXLECI-OAHLLOKOSA-N 1 2 346.431 2.122 20 30 EEEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccnc1 ZINC000266784076 248448883 /nfs/dbraw/zinc/44/88/83/248448883.db2.gz DBQNFVMAJNUUDC-MRXNPFEDSA-N 1 2 334.423 2.401 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C(F)(F)C(F)F)CC2)cc1 ZINC000267188678 256036132 /nfs/dbraw/zinc/03/61/32/256036132.db2.gz KBVSSHRHRIITEI-UHFFFAOYSA-N 1 2 329.297 2.103 20 30 EEEDLO N#Cc1ccccc1N1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000270323379 256123610 /nfs/dbraw/zinc/12/36/10/256123610.db2.gz XJJKEJARRXHLJA-UHFFFAOYSA-N 1 2 334.427 2.497 20 30 EEEDLO N#Cc1ccccc1N1CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000270323379 256123611 /nfs/dbraw/zinc/12/36/11/256123611.db2.gz XJJKEJARRXHLJA-UHFFFAOYSA-N 1 2 334.427 2.497 20 30 EEEDLO C[C@@H]1C[NH+]=C(N2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)S1 ZINC000274253191 256367979 /nfs/dbraw/zinc/36/79/79/256367979.db2.gz KQRWRJKSXBUDSP-LLVKDONJSA-N 1 2 331.401 2.080 20 30 EEEDLO C#C[C@@H](NC(=O)N[C@H](C)C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000491807804 533255353 /nfs/dbraw/zinc/25/53/53/533255353.db2.gz UMWXLMBRANFBEO-CZUORRHYSA-N 1 2 335.835 2.034 20 30 EEEDLO Cn1cc(C#N)cc1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000081602879 292203936 /nfs/dbraw/zinc/20/39/36/292203936.db2.gz OICSMOOHJDXQJZ-UHFFFAOYSA-N 1 2 333.395 2.114 20 30 EEEDLO CCOc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115596901 152033244 /nfs/dbraw/zinc/03/32/44/152033244.db2.gz FRDBTXIGWWURLV-GOSISDBHSA-N 1 2 339.395 2.282 20 30 EEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H](COC(F)F)C2)C1=O ZINC000353010165 162390504 /nfs/dbraw/zinc/39/05/04/162390504.db2.gz UGQPZGIKSQTSHX-PWSUYJOCSA-N 1 2 341.383 2.286 20 30 EEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@H](COC(F)F)C2)C1=O ZINC000353010165 162390509 /nfs/dbraw/zinc/39/05/09/162390509.db2.gz UGQPZGIKSQTSHX-PWSUYJOCSA-N 1 2 341.383 2.286 20 30 EEEDLO C[C@H]([C@H](C)NC(=O)CSCc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000355135053 163090570 /nfs/dbraw/zinc/09/05/70/163090570.db2.gz DGYBPBJQJIFGAH-LSDHHAIUSA-N 1 2 347.484 2.017 20 30 EEEDLO Cc1ccc(N2CC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)CC2=O)cc1 ZINC000375638233 167172657 /nfs/dbraw/zinc/17/26/57/167172657.db2.gz YUJTWHAKSGRBFI-LJQANCHMSA-N 1 2 335.407 2.249 20 30 EEEDLO Cc1ccc(N2CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)CC2=O)cc1 ZINC000375638233 167172658 /nfs/dbraw/zinc/17/26/58/167172658.db2.gz YUJTWHAKSGRBFI-LJQANCHMSA-N 1 2 335.407 2.249 20 30 EEEDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000295278642 270018241 /nfs/dbraw/zinc/01/82/41/270018241.db2.gz IISSBLCLVLBSQN-LBPRGKRZSA-N 1 2 341.864 2.316 20 30 EEEDLO CCN(CC)c1ccc(CNC(=O)COc2ccccc2C#N)c[nH+]1 ZINC000298583639 266121037 /nfs/dbraw/zinc/12/10/37/266121037.db2.gz HQXSJEIXBDDIRL-UHFFFAOYSA-N 1 2 338.411 2.495 20 30 EEEDLO C[C@@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000288340296 267022359 /nfs/dbraw/zinc/02/23/59/267022359.db2.gz MDVJHQLDXCXLMV-RHSMWYFYSA-N 1 2 344.440 2.168 20 30 EEEDLO C[C@@H]1C[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271873794 267086649 /nfs/dbraw/zinc/08/66/49/267086649.db2.gz OTOBJIAHOBYVRS-CRAIPNDOSA-N 1 2 327.428 2.018 20 30 EEEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cc(C#N)ccc3Cl)CC2)S1 ZINC000285782260 267241182 /nfs/dbraw/zinc/24/11/82/267241182.db2.gz UGDOPDUAZWMMJY-NSHDSACASA-N 1 2 348.859 2.461 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(F)(C#N)CC3)C2=O)cc1 ZINC000352463878 268113508 /nfs/dbraw/zinc/11/35/08/268113508.db2.gz LNQZCNJSGMNWEM-INIZCTEOSA-N 1 2 326.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268658849 277372691 /nfs/dbraw/zinc/37/26/91/277372691.db2.gz LQNOBVPOUWNNQW-RBUKOAKNSA-N 1 2 336.391 2.192 20 30 EEEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268658849 277372693 /nfs/dbraw/zinc/37/26/93/277372693.db2.gz LQNOBVPOUWNNQW-RBUKOAKNSA-N 1 2 336.391 2.192 20 30 EEEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(S(N)(=O)=O)c1 ZINC000428293549 289981903 /nfs/dbraw/zinc/98/19/03/289981903.db2.gz BYQIZAORJKYMJQ-NSHDSACASA-N 1 2 333.388 2.196 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N2CCOc3cc[nH+]cc32)c(Cl)c1 ZINC000180101672 311457737 /nfs/dbraw/zinc/45/77/37/311457737.db2.gz DEWBRLLCRAVESM-UHFFFAOYSA-N 1 2 335.772 2.194 20 30 EEEDLO COC(=O)[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C1CCCCC1 ZINC000543543756 318161142 /nfs/dbraw/zinc/16/11/42/318161142.db2.gz BTRIPKOZLHGPJB-WMZOPIPTSA-N 1 2 346.427 2.009 20 30 EEEDLO COc1cc(C#N)ccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000546709751 318262676 /nfs/dbraw/zinc/26/26/76/318262676.db2.gz RQHWQDZCISMKTG-CQSZACIVSA-N 1 2 337.383 2.362 20 30 EEEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000580393373 324051146 /nfs/dbraw/zinc/05/11/46/324051146.db2.gz WWGJODLJRIYJCI-UHFFFAOYSA-N 1 2 348.454 2.271 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)C2 ZINC000333735132 465030591 /nfs/dbraw/zinc/03/05/91/465030591.db2.gz LONGCFIFWDSETH-MJBXVCDLSA-N 1 2 329.448 2.487 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@]3(CNC(=O)C3)C1)CCC2 ZINC000328642264 465086295 /nfs/dbraw/zinc/08/62/95/465086295.db2.gz DQOMDMFAJOCEOD-KSSFIOAISA-N 1 2 345.447 2.425 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000328746038 465117946 /nfs/dbraw/zinc/11/79/46/465117946.db2.gz ONKPYZONIARAHM-OLZOCXBDSA-N 1 2 331.420 2.165 20 30 EEEDLO N#CCC1(O)C[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000354978494 465216704 /nfs/dbraw/zinc/21/67/04/465216704.db2.gz JKATVCUCODOIHK-UHFFFAOYSA-N 1 2 336.317 2.351 20 30 EEEDLO C[N@H+](CC(=O)Nc1ccc2c(c1)S(=O)(=O)CC2)[C@@H]1CCSC1 ZINC000329079737 465226035 /nfs/dbraw/zinc/22/60/35/465226035.db2.gz RBTPHXMRDBDRHN-CYBMUJFWSA-N 1 2 340.470 2.042 20 30 EEEDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)S(=O)(=O)CC2)[C@@H]1CCSC1 ZINC000329079737 465226039 /nfs/dbraw/zinc/22/60/39/465226039.db2.gz RBTPHXMRDBDRHN-CYBMUJFWSA-N 1 2 340.470 2.042 20 30 EEEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000329084661 465228196 /nfs/dbraw/zinc/22/81/96/465228196.db2.gz TXCRRAKLLSAXPP-NVXWUHKLSA-N 1 2 345.443 2.234 20 30 EEEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000329084661 465228204 /nfs/dbraw/zinc/22/82/04/465228204.db2.gz TXCRRAKLLSAXPP-NVXWUHKLSA-N 1 2 345.443 2.234 20 30 EEEDLO Cn1cc(C[NH+]2CCN(CC(=O)NC3CCCCCC3)CC2)cn1 ZINC000329108852 465236085 /nfs/dbraw/zinc/23/60/85/465236085.db2.gz FMBCMDYPPZIIRG-UHFFFAOYSA-N 1 2 333.480 2.217 20 30 EEEDLO Cn1cc(CN2CC[NH+](CC(=O)NC3CCCCCC3)CC2)cn1 ZINC000329108852 465236095 /nfs/dbraw/zinc/23/60/95/465236095.db2.gz FMBCMDYPPZIIRG-UHFFFAOYSA-N 1 2 333.480 2.217 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)[C@H]2C)cc1 ZINC000355446737 465249530 /nfs/dbraw/zinc/24/95/30/465249530.db2.gz VFCZZLZFJJWJGX-QAPCUYQASA-N 1 2 330.428 2.187 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)C1=O ZINC000337236164 465260464 /nfs/dbraw/zinc/26/04/64/465260464.db2.gz XWJNTXNYSMBQQJ-CQSZACIVSA-N 1 2 335.354 2.378 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)C1=O ZINC000337236164 465260467 /nfs/dbraw/zinc/26/04/67/465260467.db2.gz XWJNTXNYSMBQQJ-CQSZACIVSA-N 1 2 335.354 2.378 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2[C@@H](c3ccccc3)CC[C@H]2C(=O)OC)C1=O ZINC000337248646 465267100 /nfs/dbraw/zinc/26/71/00/465267100.db2.gz PRPIYZNKWJDPFK-IKGGRYGDSA-N 1 2 328.412 2.152 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2[C@@H](c3ccccc3)CC[C@H]2C(=O)OC)C1=O ZINC000337248646 465267107 /nfs/dbraw/zinc/26/71/07/465267107.db2.gz PRPIYZNKWJDPFK-IKGGRYGDSA-N 1 2 328.412 2.152 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)N[C@@H](C)Cc2ccccc2C)CC1 ZINC000341981717 465281035 /nfs/dbraw/zinc/28/10/35/465281035.db2.gz QTPLTYFTLFPXRU-KRWDZBQOSA-N 1 2 343.471 2.294 20 30 EEEDLO COCC1(C#N)CC[NH+](Cc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000341997369 465283788 /nfs/dbraw/zinc/28/37/88/465283788.db2.gz SMFWELZJZYXJGU-UHFFFAOYSA-N 1 2 342.399 2.497 20 30 EEEDLO N#Cc1cc(F)ccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000089228627 462655609 /nfs/dbraw/zinc/65/56/09/462655609.db2.gz DDYLIXSUJGKMPB-OAHLLOKOSA-N 1 2 332.379 2.026 20 30 EEEDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc(C#N)cc3)c[nH+]2)CCO1 ZINC000046716217 462698135 /nfs/dbraw/zinc/69/81/35/462698135.db2.gz XQMRZNNCFORKFW-AWEZNQCLSA-N 1 2 336.395 2.108 20 30 EEEDLO CC[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@@H](C)[S@@]1=O ZINC000552178419 468314072 /nfs/dbraw/zinc/31/40/72/468314072.db2.gz HJBDURWYCZTLRV-GHIWOLQHSA-N 1 2 339.486 2.180 20 30 EEEDLO CC[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@@H](C)[S@@]1=O ZINC000552178419 468314077 /nfs/dbraw/zinc/31/40/77/468314077.db2.gz HJBDURWYCZTLRV-GHIWOLQHSA-N 1 2 339.486 2.180 20 30 EEEDLO COCc1nc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000075620809 462741621 /nfs/dbraw/zinc/74/16/21/462741621.db2.gz YWJBHXRXUVFMGY-UHFFFAOYSA-N 1 2 342.468 2.479 20 30 EEEDLO N#Cc1ccccc1S(=O)(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000130786335 462775586 /nfs/dbraw/zinc/77/55/86/462775586.db2.gz IIJFVQGQNAEORP-UHFFFAOYSA-N 1 2 342.424 2.032 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000131486167 462812606 /nfs/dbraw/zinc/81/26/06/462812606.db2.gz UMCIEZNYKAEFLJ-MRXNPFEDSA-N 1 2 335.835 2.475 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000131486167 462812609 /nfs/dbraw/zinc/81/26/09/462812609.db2.gz UMCIEZNYKAEFLJ-MRXNPFEDSA-N 1 2 335.835 2.475 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](C[C@@H](O)c3ccccc3Cl)CC2)c1 ZINC000047856948 462828629 /nfs/dbraw/zinc/82/86/29/462828629.db2.gz SOPJMLKMDNJFCT-QGZVFWFLSA-N 1 2 342.830 2.462 20 30 EEEDLO C[N@@H+](Cc1nccn1C(F)F)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000076647502 462889379 /nfs/dbraw/zinc/88/93/79/462889379.db2.gz PNPCHRIMNURLBN-CYBMUJFWSA-N 1 2 336.342 2.022 20 30 EEEDLO C[N@H+](Cc1nccn1C(F)F)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000076647502 462889392 /nfs/dbraw/zinc/88/93/92/462889392.db2.gz PNPCHRIMNURLBN-CYBMUJFWSA-N 1 2 336.342 2.022 20 30 EEEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000590758633 468329684 /nfs/dbraw/zinc/32/96/84/468329684.db2.gz VGWNDXCFQRZANR-WMEZAQDKSA-N 1 2 327.428 2.066 20 30 EEEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000590758633 468329687 /nfs/dbraw/zinc/32/96/87/468329687.db2.gz VGWNDXCFQRZANR-WMEZAQDKSA-N 1 2 327.428 2.066 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc(OC)cc1OC ZINC000051454803 463036754 /nfs/dbraw/zinc/03/67/54/463036754.db2.gz HJGIZQNRYHQPJF-AWEZNQCLSA-N 1 2 333.432 2.144 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000051454803 463036760 /nfs/dbraw/zinc/03/67/60/463036760.db2.gz HJGIZQNRYHQPJF-AWEZNQCLSA-N 1 2 333.432 2.144 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCc2cc(OCCC)ccc2C1 ZINC000134521114 463051236 /nfs/dbraw/zinc/05/12/36/463051236.db2.gz YSCPWNNJASHADT-AWEZNQCLSA-N 1 2 345.443 2.234 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2cc(OCCC)ccc2C1 ZINC000134521114 463051240 /nfs/dbraw/zinc/05/12/40/463051240.db2.gz YSCPWNNJASHADT-AWEZNQCLSA-N 1 2 345.443 2.234 20 30 EEEDLO N#Cc1c(NC(=O)C[N@H+]2CCC[C@@H](O)C2)sc2c1CCCCC2 ZINC000023991905 463075728 /nfs/dbraw/zinc/07/57/28/463075728.db2.gz DQNCJNGAVGPTJV-GFCCVEGCSA-N 1 2 333.457 2.284 20 30 EEEDLO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@@H](O)C2)sc2c1CCCCC2 ZINC000023991905 463075732 /nfs/dbraw/zinc/07/57/32/463075732.db2.gz DQNCJNGAVGPTJV-GFCCVEGCSA-N 1 2 333.457 2.284 20 30 EEEDLO N#Cc1cccc(C[NH+]2CCN(CC(=O)N3CCCCCC3)CC2)c1 ZINC000052685313 463099834 /nfs/dbraw/zinc/09/98/34/463099834.db2.gz AUMQLULBVLTUEQ-UHFFFAOYSA-N 1 2 340.471 2.078 20 30 EEEDLO N#Cc1cccc(CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)c1 ZINC000052685313 463099838 /nfs/dbraw/zinc/09/98/38/463099838.db2.gz AUMQLULBVLTUEQ-UHFFFAOYSA-N 1 2 340.471 2.078 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025242465 463115248 /nfs/dbraw/zinc/11/52/48/463115248.db2.gz RJASUIMYCCPZOM-UHFFFAOYSA-N 1 2 345.321 2.029 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025242465 463115253 /nfs/dbraw/zinc/11/52/53/463115253.db2.gz RJASUIMYCCPZOM-UHFFFAOYSA-N 1 2 345.321 2.029 20 30 EEEDLO Cc1ccccc1OC[C@H](O)C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000158572616 463241341 /nfs/dbraw/zinc/24/13/41/463241341.db2.gz RJSRVQPGOKEVGM-QGZVFWFLSA-N 1 2 338.407 2.370 20 30 EEEDLO C#CCCCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000160418527 463337531 /nfs/dbraw/zinc/33/75/31/463337531.db2.gz BIDHAVTYWUPBAS-SFHVURJKSA-N 1 2 329.444 2.163 20 30 EEEDLO N#CCC[C@@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000151414399 463527251 /nfs/dbraw/zinc/52/72/51/463527251.db2.gz CAHLHHWBSLAMCL-ZWKOTPCHSA-N 1 2 342.443 2.148 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000042290881 463554542 /nfs/dbraw/zinc/55/45/42/463554542.db2.gz BQTBRRGDUBCROE-INIZCTEOSA-N 1 2 329.444 2.454 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000042290881 463554544 /nfs/dbraw/zinc/55/45/44/463554544.db2.gz BQTBRRGDUBCROE-INIZCTEOSA-N 1 2 329.444 2.454 20 30 EEEDLO Cc1ccc(C)c(N2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)c1 ZINC000164632543 463628441 /nfs/dbraw/zinc/62/84/41/463628441.db2.gz HAXUDDZOAUJPHA-FQEVSTJZSA-N 1 2 340.471 2.234 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c1C ZINC000177555805 463736224 /nfs/dbraw/zinc/73/62/24/463736224.db2.gz LPIXGUUCQQJGNC-QGZVFWFLSA-N 1 2 329.444 2.217 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)c1C ZINC000177555805 463736229 /nfs/dbraw/zinc/73/62/29/463736229.db2.gz LPIXGUUCQQJGNC-QGZVFWFLSA-N 1 2 329.444 2.217 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@](F)(CO)C2)cc1C ZINC000286945790 463750472 /nfs/dbraw/zinc/75/04/72/463750472.db2.gz OBXIZFIXJMUKGR-IBGZPJMESA-N 1 2 347.434 2.347 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@](F)(CO)C2)cc1C ZINC000286945790 463750478 /nfs/dbraw/zinc/75/04/78/463750478.db2.gz OBXIZFIXJMUKGR-IBGZPJMESA-N 1 2 347.434 2.347 20 30 EEEDLO COC(=O)c1coc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000171038038 463766007 /nfs/dbraw/zinc/76/60/07/463766007.db2.gz GJRQJKYQFVKGCS-UHFFFAOYSA-N 1 2 325.368 2.260 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185327295 463801087 /nfs/dbraw/zinc/80/10/87/463801087.db2.gz ACSIUPJGOWEZQE-NEPJUHHUSA-N 1 2 337.370 2.154 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185327295 463801091 /nfs/dbraw/zinc/80/10/91/463801091.db2.gz ACSIUPJGOWEZQE-NEPJUHHUSA-N 1 2 337.370 2.154 20 30 EEEDLO C#CC[C@@]1(C(=O)NCc2[nH]c[nH+]c2C)CCCN1C(=O)OC(C)(C)C ZINC000283413718 463877214 /nfs/dbraw/zinc/87/72/14/463877214.db2.gz LTOWFOPSVIRTQN-SFHVURJKSA-N 1 2 346.431 2.127 20 30 EEEDLO CC(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000277507289 463918976 /nfs/dbraw/zinc/91/89/76/463918976.db2.gz TZGBBNIHRGBIIV-RTBURBONSA-N 1 2 341.455 2.264 20 30 EEEDLO N#CC1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000195325564 464040985 /nfs/dbraw/zinc/04/09/85/464040985.db2.gz PCJQLQYGYTVZNN-GOSISDBHSA-N 1 2 342.443 2.005 20 30 EEEDLO CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cnn(C)c1 ZINC000195518523 464067358 /nfs/dbraw/zinc/06/73/58/464067358.db2.gz ISKNXDFTIYMJDF-UHFFFAOYSA-N 1 2 331.807 2.406 20 30 EEEDLO CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cnn(C)c1 ZINC000195518523 464067361 /nfs/dbraw/zinc/06/73/61/464067361.db2.gz ISKNXDFTIYMJDF-UHFFFAOYSA-N 1 2 331.807 2.406 20 30 EEEDLO N#C[C@]1(NC(=O)c2ccnc(-n3cc[nH+]c3)c2)CCc2ccccc2C1 ZINC000186893024 464079156 /nfs/dbraw/zinc/07/91/56/464079156.db2.gz ZPPUPZXFSZMHGD-FQEVSTJZSA-N 1 2 343.390 2.448 20 30 EEEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)C1 ZINC000172797296 464144560 /nfs/dbraw/zinc/14/45/60/464144560.db2.gz SLUHNDZWVZVDCX-RYUDHWBXSA-N 1 2 328.199 2.005 20 30 EEEDLO C[N@H+]1CCO[C@H](C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)C1 ZINC000172797296 464144565 /nfs/dbraw/zinc/14/45/65/464144565.db2.gz SLUHNDZWVZVDCX-RYUDHWBXSA-N 1 2 328.199 2.005 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCN(c3ccc(C)cc3)C2=O)n1 ZINC000279798982 464149525 /nfs/dbraw/zinc/14/95/25/464149525.db2.gz WKFZPUJRGPWIDP-LJQANCHMSA-N 1 2 336.439 2.452 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCN(c3ccc(C)cc3)C2=O)n1 ZINC000279798982 464149541 /nfs/dbraw/zinc/14/95/41/464149541.db2.gz WKFZPUJRGPWIDP-LJQANCHMSA-N 1 2 336.439 2.452 20 30 EEEDLO COc1ccc(-c2noc([C@H](C)O[NH+]=C(N)[C@@H]3CCCO3)n2)cc1 ZINC000284509619 464220738 /nfs/dbraw/zinc/22/07/38/464220738.db2.gz TZXWJVORUBDDGZ-GWCFXTLKSA-N 1 2 332.360 2.274 20 30 EEEDLO CCc1nc(C)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000292425388 464229447 /nfs/dbraw/zinc/22/94/47/464229447.db2.gz LEWUMURDRZMKNZ-UHFFFAOYSA-N 1 2 338.411 2.375 20 30 EEEDLO CC(C)(C)c1ccc(CCNC(=O)CO[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000284584906 464251965 /nfs/dbraw/zinc/25/19/65/464251965.db2.gz XNWKGWQRGPRBAL-INIZCTEOSA-N 1 2 347.459 2.111 20 30 EEEDLO COc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)Cc2csc(C)n2)cc1 ZINC000174113365 464363903 /nfs/dbraw/zinc/36/39/03/464363903.db2.gz KXVLXMNLYPIGGG-SNVBAGLBSA-N 1 2 348.428 2.319 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(SC)cc2)C1=O ZINC000281201882 464368887 /nfs/dbraw/zinc/36/88/87/464368887.db2.gz CLQIRJJVAMNZGG-XJKSGUPXSA-N 1 2 347.484 2.454 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(SC)cc2)C1=O ZINC000281201882 464368894 /nfs/dbraw/zinc/36/88/94/464368894.db2.gz CLQIRJJVAMNZGG-XJKSGUPXSA-N 1 2 347.484 2.454 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(c2ccccc2)C(C)C)C1=O ZINC000281321528 464413329 /nfs/dbraw/zinc/41/33/29/464413329.db2.gz LGCBUYVGVZGFED-QGZVFWFLSA-N 1 2 329.444 2.147 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(c2ccccc2)C(C)C)C1=O ZINC000281321528 464413332 /nfs/dbraw/zinc/41/33/32/464413332.db2.gz LGCBUYVGVZGFED-QGZVFWFLSA-N 1 2 329.444 2.147 20 30 EEEDLO COc1ccc([C@H](NC(=O)c2c[nH]c(C#N)c2)c2[nH+]ccn2C)cc1 ZINC000181178536 464454939 /nfs/dbraw/zinc/45/49/39/464454939.db2.gz NPOUGTYJNXTFOC-INIZCTEOSA-N 1 2 335.367 2.148 20 30 EEEDLO C#CCNC(=O)c1ccc(NCc2ccc(N3CCCC3)[nH+]c2)nc1 ZINC000264808476 464474063 /nfs/dbraw/zinc/47/40/63/464474063.db2.gz BECQLIFUOLYOQW-UHFFFAOYSA-N 1 2 335.411 2.052 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCCN(CC)C(=O)C1 ZINC000190189965 464606748 /nfs/dbraw/zinc/60/67/48/464606748.db2.gz HVDHJSAKMLOMJG-HNNXBMFYSA-N 1 2 349.500 2.205 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCCN(CC)C(=O)C1 ZINC000190189965 464606757 /nfs/dbraw/zinc/60/67/57/464606757.db2.gz HVDHJSAKMLOMJG-HNNXBMFYSA-N 1 2 349.500 2.205 20 30 EEEDLO CC(C)(CC#N)CS(=O)(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000295149665 464723244 /nfs/dbraw/zinc/72/32/44/464723244.db2.gz BJJJQKBHDYCXBH-UHFFFAOYSA-N 1 2 346.456 2.291 20 30 EEEDLO C#CCN(C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1)C1CC1 ZINC000274044902 464732652 /nfs/dbraw/zinc/73/26/52/464732652.db2.gz BDBKXIMGLDLFGH-MRXNPFEDSA-N 1 2 326.375 2.456 20 30 EEEDLO C#CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(OCC)c(OC)c1)C1CC1 ZINC000274219240 464739081 /nfs/dbraw/zinc/73/90/81/464739081.db2.gz UYUQNAYXDJZHEL-AWEZNQCLSA-N 1 2 330.428 2.369 20 30 EEEDLO C#CC[N@H+](CC(=O)N[C@@H](C)c1ccc(OCC)c(OC)c1)C1CC1 ZINC000274219240 464739085 /nfs/dbraw/zinc/73/90/85/464739085.db2.gz UYUQNAYXDJZHEL-AWEZNQCLSA-N 1 2 330.428 2.369 20 30 EEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000248358514 464744539 /nfs/dbraw/zinc/74/45/39/464744539.db2.gz QWOKTIGXOVVOJM-GUYCJALGSA-N 1 2 333.457 2.334 20 30 EEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@](C)(O)C1 ZINC000248358514 464744541 /nfs/dbraw/zinc/74/45/41/464744541.db2.gz QWOKTIGXOVVOJM-GUYCJALGSA-N 1 2 333.457 2.334 20 30 EEEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000275047606 464761678 /nfs/dbraw/zinc/76/16/78/464761678.db2.gz ZIBQKFHIKMYIKG-HIFRSBDPSA-N 1 2 332.400 2.219 20 30 EEEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000275047606 464761685 /nfs/dbraw/zinc/76/16/85/464761685.db2.gz ZIBQKFHIKMYIKG-HIFRSBDPSA-N 1 2 332.400 2.219 20 30 EEEDLO CC1(C)C[N@H+](CC(=O)Nc2ccccc2SCC#N)CC[C@H]1O ZINC000275427642 464774336 /nfs/dbraw/zinc/77/43/36/464774336.db2.gz IMUMCODOXDZGHJ-OAHLLOKOSA-N 1 2 333.457 2.334 20 30 EEEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2SCC#N)CC[C@H]1O ZINC000275427642 464774342 /nfs/dbraw/zinc/77/43/42/464774342.db2.gz IMUMCODOXDZGHJ-OAHLLOKOSA-N 1 2 333.457 2.334 20 30 EEEDLO CCN(C)c1ccc(CNc2nn(-c3ccc(C#N)cn3)cc2C)c[nH+]1 ZINC000359705599 465483634 /nfs/dbraw/zinc/48/36/34/465483634.db2.gz JEXWEFBFBCFNKE-UHFFFAOYSA-N 1 2 347.426 2.911 20 30 EEEDLO CC[C@@H]1CC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000268323837 465016535 /nfs/dbraw/zinc/01/65/35/465016535.db2.gz LOFMQMYKHMESDK-QZTJIDSGSA-N 1 2 327.428 2.160 20 30 EEEDLO C=CCCOCCCCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000342612456 465333387 /nfs/dbraw/zinc/33/33/87/465333387.db2.gz GNZJABGVABQJNV-UHFFFAOYSA-N 1 2 331.460 2.489 20 30 EEEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NCc1cn2c(cccc2C)[nH+]1 ZINC000359091021 465376707 /nfs/dbraw/zinc/37/67/07/465376707.db2.gz VKQVESNHAGZXQB-UHFFFAOYSA-N 1 2 343.394 3.016 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000329634081 465393150 /nfs/dbraw/zinc/39/31/50/465393150.db2.gz WYYFXYHVXWSNBX-PBHICJAKSA-N 1 2 344.390 2.394 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000329634081 465393152 /nfs/dbraw/zinc/39/31/52/465393152.db2.gz WYYFXYHVXWSNBX-PBHICJAKSA-N 1 2 344.390 2.394 20 30 EEEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)NCC(=O)c1ccc(C#N)cc1 ZINC000348071249 465405654 /nfs/dbraw/zinc/40/56/54/465405654.db2.gz JNAQKNUVEYSUKM-PBHICJAKSA-N 1 2 348.406 2.025 20 30 EEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1O ZINC000351950696 465460733 /nfs/dbraw/zinc/46/07/33/465460733.db2.gz GYBDSTQLJBWWEN-BXUZGUMPSA-N 1 2 333.457 2.140 20 30 EEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1O ZINC000351950696 465460735 /nfs/dbraw/zinc/46/07/35/465460735.db2.gz GYBDSTQLJBWWEN-BXUZGUMPSA-N 1 2 333.457 2.140 20 30 EEEDLO Cc1ncc(CO)c(/C=N/c2ccccc2C[NH+]2CCOCC2)c1O ZINC000298788932 465506077 /nfs/dbraw/zinc/50/60/77/465506077.db2.gz RIXXQHIQSDZYRW-SRZZPIQSSA-N 1 2 341.411 2.171 20 30 EEEDLO N#CC[C@@H](CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000343348341 465508042 /nfs/dbraw/zinc/50/80/42/465508042.db2.gz LKLWHHGHLCAXSV-FUHWJXTLSA-N 1 2 327.428 2.053 20 30 EEEDLO N#CC[C@@H](CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000343348341 465508051 /nfs/dbraw/zinc/50/80/51/465508051.db2.gz LKLWHHGHLCAXSV-FUHWJXTLSA-N 1 2 327.428 2.053 20 30 EEEDLO N#CC1(F)CC[NH+](CC(=O)NCCCOc2ccccc2F)CC1 ZINC000352483303 465533516 /nfs/dbraw/zinc/53/35/16/465533516.db2.gz IJQWUTFHCLPHIF-UHFFFAOYSA-N 1 2 337.370 2.038 20 30 EEEDLO CCN1CN(C(=O)Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)CC1=O ZINC000330143566 465547092 /nfs/dbraw/zinc/54/70/92/465547092.db2.gz ZAGXZJTZTUBCBG-CQSZACIVSA-N 1 2 345.447 2.436 20 30 EEEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000330188589 465562472 /nfs/dbraw/zinc/56/24/72/465562472.db2.gz LHBIMBAELGHPLG-CLWVCHIJSA-N 1 2 330.432 2.049 20 30 EEEDLO [O-]C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330188589 465562475 /nfs/dbraw/zinc/56/24/75/465562475.db2.gz LHBIMBAELGHPLG-CLWVCHIJSA-N 1 2 330.432 2.049 20 30 EEEDLO CCn1cc(-c2[nH]ncc2C(=O)NC2CC[NH+](C(C)C)CC2)cn1 ZINC000330251197 465586777 /nfs/dbraw/zinc/58/67/77/465586777.db2.gz HKJJRIJJOOCFAO-UHFFFAOYSA-N 1 2 330.436 2.471 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2cccc3c2OCO3)CCO1 ZINC000330331101 465615500 /nfs/dbraw/zinc/61/55/00/465615500.db2.gz NVWXKECAILLUBW-ABAIWWIYSA-N 1 2 344.371 2.395 20 30 EEEDLO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)CCO1 ZINC000330622484 465736461 /nfs/dbraw/zinc/73/64/61/465736461.db2.gz NYBNHIFEKUEOIO-MNOVXSKESA-N 1 2 334.342 2.359 20 30 EEEDLO CCOc1ncc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1Cl ZINC000330737613 465782954 /nfs/dbraw/zinc/78/29/54/465782954.db2.gz YHVKRSCIINKJRC-NSHDSACASA-N 1 2 327.812 2.159 20 30 EEEDLO CCOc1ncc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1Cl ZINC000330737613 465782962 /nfs/dbraw/zinc/78/29/62/465782962.db2.gz YHVKRSCIINKJRC-NSHDSACASA-N 1 2 327.812 2.159 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000340196199 465863952 /nfs/dbraw/zinc/86/39/52/465863952.db2.gz FENGSGGHANUNHU-ZFWWWQNUSA-N 1 2 341.333 2.274 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000340196199 465863960 /nfs/dbraw/zinc/86/39/60/465863960.db2.gz FENGSGGHANUNHU-ZFWWWQNUSA-N 1 2 341.333 2.274 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)on3)[C@@H]2CC)c1 ZINC001087718884 782123421 /nfs/dbraw/zinc/12/34/21/782123421.db2.gz OCQSSIOARHKBGR-ZWKOTPCHSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)on3)[C@@H]2CC)c1 ZINC001087718884 782123425 /nfs/dbraw/zinc/12/34/25/782123425.db2.gz OCQSSIOARHKBGR-ZWKOTPCHSA-N 1 2 338.411 2.142 20 30 EEEDLO Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC(C)(C)OC[C@@H]2C)c1C ZINC000331119843 465942376 /nfs/dbraw/zinc/94/23/76/465942376.db2.gz OYRWBQJIAPYMFE-ZDUSSCGKSA-N 1 2 333.432 2.464 20 30 EEEDLO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC(C)(C)OC[C@@H]2C)c1C ZINC000331119843 465942382 /nfs/dbraw/zinc/94/23/82/465942382.db2.gz OYRWBQJIAPYMFE-ZDUSSCGKSA-N 1 2 333.432 2.464 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000346543509 466111005 /nfs/dbraw/zinc/11/10/05/466111005.db2.gz GCAMWYDDRVBGCV-JTQLQIEISA-N 1 2 325.334 2.487 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000346543509 466111013 /nfs/dbraw/zinc/11/10/13/466111013.db2.gz GCAMWYDDRVBGCV-JTQLQIEISA-N 1 2 325.334 2.487 20 30 EEEDLO CCC(CC)[C@H](CNC(=O)c1ccc(C#N)s1)[NH+]1CCOCC1 ZINC000362969698 466151831 /nfs/dbraw/zinc/15/18/31/466151831.db2.gz ORRFWBCDWOMJHP-HNNXBMFYSA-N 1 2 335.473 2.487 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1CCC[C@@H]1C#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000331831934 466263927 /nfs/dbraw/zinc/26/39/27/466263927.db2.gz AUQWUQBMWXKCRM-IIDMSEBBSA-N 1 2 344.434 2.145 20 30 EEEDLO CCCc1nc(C)c(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)o1 ZINC000555658286 468488868 /nfs/dbraw/zinc/48/88/68/468488868.db2.gz WWJSSPAYTWQLPD-UHFFFAOYSA-N 1 2 342.447 2.171 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc(F)c(Br)c1 ZINC000581827159 468499379 /nfs/dbraw/zinc/49/93/79/468499379.db2.gz FULMRQACEWJRSY-AWEZNQCLSA-N 1 2 342.212 2.091 20 30 EEEDLO N#Cc1cc(F)c(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)c(F)c1 ZINC000370340402 466841205 /nfs/dbraw/zinc/84/12/05/466841205.db2.gz WRLZUSVULQVEDL-UHFFFAOYSA-N 1 2 339.305 2.347 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000373889036 466956428 /nfs/dbraw/zinc/95/64/28/466956428.db2.gz ANAIWXXPIFAMDT-NVXWUHKLSA-N 1 2 341.415 2.048 20 30 EEEDLO Cc1cc(NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c(C#N)c[nH+]1 ZINC000425216588 467088511 /nfs/dbraw/zinc/08/85/11/467088511.db2.gz RUHIYOSHACWTGB-SFHVURJKSA-N 1 2 336.395 2.413 20 30 EEEDLO C[C@H](O)[C@@H]1CCN(c2cc(N(C)Cc3ccc(C#N)cc3)nc[nH+]2)C1 ZINC000413043439 467159104 /nfs/dbraw/zinc/15/91/04/467159104.db2.gz CKMMIQXEAHDHRL-WMLDXEAASA-N 1 2 337.427 2.192 20 30 EEEDLO C[C@H](O)[C@@H]1CCN(c2cc(N(C)Cc3ccc(C#N)cc3)[nH+]cn2)C1 ZINC000413043439 467159108 /nfs/dbraw/zinc/15/91/08/467159108.db2.gz CKMMIQXEAHDHRL-WMLDXEAASA-N 1 2 337.427 2.192 20 30 EEEDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3cc(C#N)ccc3F)[nH+]cn2)C1 ZINC000413172687 467182977 /nfs/dbraw/zinc/18/29/77/467182977.db2.gz RIWKKUVCCYRPOB-TZMCWYRMSA-N 1 2 341.390 2.307 20 30 EEEDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3cc(C#N)ccc3F)nc[nH+]2)C1 ZINC000413172687 467182980 /nfs/dbraw/zinc/18/29/80/467182980.db2.gz RIWKKUVCCYRPOB-TZMCWYRMSA-N 1 2 341.390 2.307 20 30 EEEDLO CCC[N@H+](CC(N)=O)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000429117031 467301250 /nfs/dbraw/zinc/30/12/50/467301250.db2.gz OTSAAINFZPZBBB-ZDUSSCGKSA-N 1 2 348.472 2.074 20 30 EEEDLO CCC[N@@H+](CC(N)=O)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000429117031 467301253 /nfs/dbraw/zinc/30/12/53/467301253.db2.gz OTSAAINFZPZBBB-ZDUSSCGKSA-N 1 2 348.472 2.074 20 30 EEEDLO C=CCNc1ncc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000433229058 467310010 /nfs/dbraw/zinc/31/00/10/467310010.db2.gz QRBDZFWWFVWJBK-UHFFFAOYSA-N 1 2 339.424 2.857 20 30 EEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000413823739 467319532 /nfs/dbraw/zinc/31/95/32/467319532.db2.gz ASBPXJICBZYQCN-QRVBRYPASA-N 1 2 343.471 2.336 20 30 EEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000413823739 467319538 /nfs/dbraw/zinc/31/95/38/467319538.db2.gz ASBPXJICBZYQCN-QRVBRYPASA-N 1 2 343.471 2.336 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000414127136 467380232 /nfs/dbraw/zinc/38/02/32/467380232.db2.gz PPJOHUPDFOHKMY-CYBMUJFWSA-N 1 2 332.400 2.016 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000414127136 467380238 /nfs/dbraw/zinc/38/02/38/467380238.db2.gz PPJOHUPDFOHKMY-CYBMUJFWSA-N 1 2 332.400 2.016 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC3(CC3(F)F)CC2)cc1 ZINC000404723130 467477064 /nfs/dbraw/zinc/47/70/64/467477064.db2.gz VYKFVMRMIUWQIU-UHFFFAOYSA-N 1 2 340.395 2.453 20 30 EEEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000408042792 467498803 /nfs/dbraw/zinc/49/88/03/467498803.db2.gz SWKUPHQMMUZNRY-NWDGAFQWSA-N 1 2 341.864 2.315 20 30 EEEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000408042792 467498805 /nfs/dbraw/zinc/49/88/05/467498805.db2.gz SWKUPHQMMUZNRY-NWDGAFQWSA-N 1 2 341.864 2.315 20 30 EEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000408161070 467519626 /nfs/dbraw/zinc/51/96/26/467519626.db2.gz ZBHKERPNCZCHJH-UHFFFAOYSA-N 1 2 339.848 2.070 20 30 EEEDLO C[C@@H](C#N)C[N@H+](C)CCNC(=O)NC(C)(C)COCc1ccccc1 ZINC000440709816 467570909 /nfs/dbraw/zinc/57/09/09/467570909.db2.gz KGAWGBQOJWAMMT-INIZCTEOSA-N 1 2 346.475 2.372 20 30 EEEDLO C[C@@H](C#N)C[N@@H+](C)CCNC(=O)NC(C)(C)COCc1ccccc1 ZINC000440709816 467570910 /nfs/dbraw/zinc/57/09/10/467570910.db2.gz KGAWGBQOJWAMMT-INIZCTEOSA-N 1 2 346.475 2.372 20 30 EEEDLO C=CCOc1ccc(/C=C/C(=O)NCCc2c[nH+]cn2C)cc1OC ZINC000492512474 467659315 /nfs/dbraw/zinc/65/93/15/467659315.db2.gz YGRFLGHMTURGMY-SOFGYWHQSA-N 1 2 341.411 2.366 20 30 EEEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000492587971 467679764 /nfs/dbraw/zinc/67/97/64/467679764.db2.gz HRMLSIHBKUEMNI-SREVYHEPSA-N 1 2 347.382 2.316 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)CCCO1 ZINC000496974006 467763736 /nfs/dbraw/zinc/76/37/36/467763736.db2.gz KSJVVPNQNHAWPD-MRXNPFEDSA-N 1 2 346.431 2.069 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCCO1 ZINC000496974006 467763741 /nfs/dbraw/zinc/76/37/41/467763741.db2.gz KSJVVPNQNHAWPD-MRXNPFEDSA-N 1 2 346.431 2.069 20 30 EEEDLO N#CCOc1ccc(/C=C\C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1 ZINC000492852830 467773313 /nfs/dbraw/zinc/77/33/13/467773313.db2.gz ABEYLRGEBVCSGA-ORUDLHBZSA-N 1 2 348.406 2.170 20 30 EEEDLO CN(CC(C)(C)C#N)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000457495461 467837724 /nfs/dbraw/zinc/83/77/24/467837724.db2.gz CPIDUJFIJQOSDG-UHFFFAOYSA-N 1 2 344.459 2.210 20 30 EEEDLO CCn1cc[nH+]c1/C=C\C(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000493304398 467882670 /nfs/dbraw/zinc/88/26/70/467882670.db2.gz QPIYWPZGDHZDAR-SREVYHEPSA-N 1 2 335.411 2.395 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000531841455 468080395 /nfs/dbraw/zinc/08/03/95/468080395.db2.gz AEUNHHRNDHIEFV-OLZOCXBDSA-N 1 2 335.370 2.038 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000531841455 468080396 /nfs/dbraw/zinc/08/03/96/468080396.db2.gz AEUNHHRNDHIEFV-OLZOCXBDSA-N 1 2 335.370 2.038 20 30 EEEDLO CC(C)CN1C[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)CCN2C1=O ZINC000488778951 468104265 /nfs/dbraw/zinc/10/42/65/468104265.db2.gz IRRQYOXZQMMJLE-INIZCTEOSA-N 1 2 330.407 2.275 20 30 EEEDLO CC(C)CN1C[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)CCN2C1=O ZINC000488778951 468104268 /nfs/dbraw/zinc/10/42/68/468104268.db2.gz IRRQYOXZQMMJLE-INIZCTEOSA-N 1 2 330.407 2.275 20 30 EEEDLO COCC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCO[C@H]1C ZINC000489502221 468145986 /nfs/dbraw/zinc/14/59/86/468145986.db2.gz XWRRNUIOCHCGIN-XJKSGUPXSA-N 1 2 342.399 2.234 20 30 EEEDLO COCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCO[C@H]1C ZINC000489502221 468145991 /nfs/dbraw/zinc/14/59/91/468145991.db2.gz XWRRNUIOCHCGIN-XJKSGUPXSA-N 1 2 342.399 2.234 20 30 EEEDLO N#CC1(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000567445083 468170828 /nfs/dbraw/zinc/17/08/28/468170828.db2.gz GQPZXSGMIGXBNT-UHFFFAOYSA-N 1 2 327.432 2.412 20 30 EEEDLO N#Cc1ccncc1N1CC[NH+](Cc2nc3c(s2)CCC3)CC1 ZINC000590053301 468209028 /nfs/dbraw/zinc/20/90/28/468209028.db2.gz UICFCKKWAMZMPF-UHFFFAOYSA-N 1 2 325.441 2.221 20 30 EEEDLO Cc1nnsc1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000578589772 468221380 /nfs/dbraw/zinc/22/13/80/468221380.db2.gz WOVPEISQQXEUBE-UHFFFAOYSA-N 1 2 327.457 2.426 20 30 EEEDLO Cc1nnsc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000578589772 468221384 /nfs/dbraw/zinc/22/13/84/468221384.db2.gz WOVPEISQQXEUBE-UHFFFAOYSA-N 1 2 327.457 2.426 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1sc(-c2ncccn2)nc1C ZINC000490617496 468226370 /nfs/dbraw/zinc/22/63/70/468226370.db2.gz QBJZUGUBZCVUNH-CYBMUJFWSA-N 1 2 342.424 2.163 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1sc(-c2ncccn2)nc1C ZINC000490617496 468226374 /nfs/dbraw/zinc/22/63/74/468226374.db2.gz QBJZUGUBZCVUNH-CYBMUJFWSA-N 1 2 342.424 2.163 20 30 EEEDLO N#CCCn1ncc(C(=O)N2CCc3[nH]c[nH+]c3C2)c1-c1ccccc1 ZINC000590378093 468242750 /nfs/dbraw/zinc/24/27/50/468242750.db2.gz DJWQEMSBUFDWBX-UHFFFAOYSA-N 1 2 346.394 2.385 20 30 EEEDLO N#CCCn1ncc(C(=O)N2CCc3[nH+]c[nH]c3C2)c1-c1ccccc1 ZINC000590378093 468242757 /nfs/dbraw/zinc/24/27/57/468242757.db2.gz DJWQEMSBUFDWBX-UHFFFAOYSA-N 1 2 346.394 2.385 20 30 EEEDLO CC(C)[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC000594539519 468617648 /nfs/dbraw/zinc/61/76/48/468617648.db2.gz AWVSEXGXWTZZJW-GOSISDBHSA-N 1 2 329.444 2.469 20 30 EEEDLO COc1cccc(S(=O)(=O)CC[NH+]2CCC(CCC#N)CC2)c1 ZINC000592136082 468633834 /nfs/dbraw/zinc/63/38/34/468633834.db2.gz FYSPLMHSIHJKCS-UHFFFAOYSA-N 1 2 336.457 2.485 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148385 468638672 /nfs/dbraw/zinc/63/86/72/468638672.db2.gz YBMBOZIANMAQQX-QGZVFWFLSA-N 1 2 331.441 2.254 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148385 468638675 /nfs/dbraw/zinc/63/86/75/468638675.db2.gz YBMBOZIANMAQQX-QGZVFWFLSA-N 1 2 331.441 2.254 20 30 EEEDLO C[C@H](NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1cccc2ccccc21 ZINC000592147427 468638870 /nfs/dbraw/zinc/63/88/70/468638870.db2.gz LQCYLUXGWGSXQU-YWZLYKJASA-N 1 2 337.423 2.367 20 30 EEEDLO C[C@H](NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1cccc2ccccc21 ZINC000592147427 468638876 /nfs/dbraw/zinc/63/88/76/468638876.db2.gz LQCYLUXGWGSXQU-YWZLYKJASA-N 1 2 337.423 2.367 20 30 EEEDLO Cn1c2cc(Br)ccc2nc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592154558 468641706 /nfs/dbraw/zinc/64/17/06/468641706.db2.gz UDQGZYBILQZTFW-HNNXBMFYSA-N 1 2 349.232 2.186 20 30 EEEDLO Cn1c2cc(Br)ccc2nc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592154558 468641711 /nfs/dbraw/zinc/64/17/11/468641711.db2.gz UDQGZYBILQZTFW-HNNXBMFYSA-N 1 2 349.232 2.186 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnn(C(F)F)c3)CC2)cc1 ZINC000600945452 468692799 /nfs/dbraw/zinc/69/27/99/468692799.db2.gz KDGMRLGNYLHWRL-UHFFFAOYSA-N 1 2 345.353 2.108 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCOC)Cc1ccc2c(c1)OCO2 ZINC000601067460 468733302 /nfs/dbraw/zinc/73/33/02/468733302.db2.gz USNOILRMPYGYNG-UHFFFAOYSA-N 1 2 348.443 2.288 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCOC)Cc1ccc2c(c1)OCO2 ZINC000601067460 468733307 /nfs/dbraw/zinc/73/33/07/468733307.db2.gz USNOILRMPYGYNG-UHFFFAOYSA-N 1 2 348.443 2.288 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nnc(C4CC4)s3)C2)nc1 ZINC000560243837 468775748 /nfs/dbraw/zinc/77/57/48/468775748.db2.gz AOALYCKPBGRQPM-ZDUSSCGKSA-N 1 2 327.413 2.335 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nnc(C4CC4)s3)C2)nc1 ZINC000560243837 468775753 /nfs/dbraw/zinc/77/57/53/468775753.db2.gz AOALYCKPBGRQPM-ZDUSSCGKSA-N 1 2 327.413 2.335 20 30 EEEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(Br)s1 ZINC000584235579 468826487 /nfs/dbraw/zinc/82/64/87/468826487.db2.gz YXYWQKFAYZUQLJ-LBPRGKRZSA-N 1 2 330.251 2.393 20 30 EEEDLO CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595610187 468922639 /nfs/dbraw/zinc/92/26/39/468922639.db2.gz SVSBFAKHHNFZMB-LBPRGKRZSA-N 1 2 335.429 2.489 20 30 EEEDLO CCOC(=O)c1ccsc1NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595610187 468922642 /nfs/dbraw/zinc/92/26/42/468922642.db2.gz SVSBFAKHHNFZMB-LBPRGKRZSA-N 1 2 335.429 2.489 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)COC ZINC000595639861 468935258 /nfs/dbraw/zinc/93/52/58/468935258.db2.gz XZTOFLHDVNGDDR-LBPRGKRZSA-N 1 2 337.376 2.065 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)COC ZINC000595639861 468935262 /nfs/dbraw/zinc/93/52/62/468935262.db2.gz XZTOFLHDVNGDDR-LBPRGKRZSA-N 1 2 337.376 2.065 20 30 EEEDLO CC[C@H](C#N)C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000593394717 468961458 /nfs/dbraw/zinc/96/14/58/468961458.db2.gz KVEQTRPVEJBXOF-MLGOLLRUSA-N 1 2 342.399 2.193 20 30 EEEDLO Cn1nccc1C[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595727033 468971846 /nfs/dbraw/zinc/97/18/46/468971846.db2.gz VLISBOQQNAOFIG-UHFFFAOYSA-N 1 2 347.426 2.004 20 30 EEEDLO CN1CC[N@H+](Cc2cccc(C#N)c2F)C[C@@H]1c1nc(C2CC2)no1 ZINC000585789803 469034905 /nfs/dbraw/zinc/03/49/05/469034905.db2.gz YWJAEINFGNAQCY-OAHLLOKOSA-N 1 2 341.390 2.446 20 30 EEEDLO CN1CC[N@@H+](Cc2cccc(C#N)c2F)C[C@@H]1c1nc(C2CC2)no1 ZINC000585789803 469034912 /nfs/dbraw/zinc/03/49/12/469034912.db2.gz YWJAEINFGNAQCY-OAHLLOKOSA-N 1 2 341.390 2.446 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610701489 469044231 /nfs/dbraw/zinc/04/42/31/469044231.db2.gz QWNQZDSYJOLUEF-SFHVURJKSA-N 1 2 325.416 2.017 20 30 EEEDLO COc1ccc(C(=O)N2CC[NH+](CC3(CC#N)CC3)CC2)c(OC)c1 ZINC000602769690 469062295 /nfs/dbraw/zinc/06/22/95/469062295.db2.gz VEWZJGTXOQILKE-UHFFFAOYSA-N 1 2 343.427 2.155 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610844662 469087204 /nfs/dbraw/zinc/08/72/04/469087204.db2.gz IMIPXLBABVQRQF-DJJJIMSYSA-N 1 2 339.443 2.405 20 30 EEEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000602866194 469129816 /nfs/dbraw/zinc/12/98/16/469129816.db2.gz ZBVDXBXOMSJXNV-GDBMZVCRSA-N 1 2 343.427 2.403 20 30 EEEDLO N#Cc1ccccc1NC1CC[NH+](CC(=O)NCC(F)(F)F)CC1 ZINC000602902003 469154166 /nfs/dbraw/zinc/15/41/66/469154166.db2.gz UKOGQIWXZWAHLK-UHFFFAOYSA-N 1 2 340.349 2.113 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000611124210 469169182 /nfs/dbraw/zinc/16/91/82/469169182.db2.gz MRBUDPKQPLKWQF-FUHWJXTLSA-N 1 2 349.438 2.277 20 30 EEEDLO Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCN(CCC#N)CC2)c(C)c1 ZINC000611173724 469180389 /nfs/dbraw/zinc/18/03/89/469180389.db2.gz IEFUKEGMYUXBQE-KRWDZBQOSA-N 1 2 328.460 2.470 20 30 EEEDLO Cc1ccc([C@@H](NC(=O)C[NH+]2CCN(CCC#N)CC2)C2CC2)cc1 ZINC000611175261 469182493 /nfs/dbraw/zinc/18/24/93/469182493.db2.gz WGHCWISORAYRRT-HXUWFJFHSA-N 1 2 340.471 2.094 20 30 EEEDLO N#Cc1cnnc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)c1 ZINC000596171087 469185842 /nfs/dbraw/zinc/18/58/42/469185842.db2.gz FRTWUMDRLFNCLQ-UHFFFAOYSA-N 1 2 336.424 2.280 20 30 EEEDLO N#Cc1ccccc1OCC[NH+]1CCN(Cc2ccc(O)cc2)CC1 ZINC000603007016 469218684 /nfs/dbraw/zinc/21/86/84/469218684.db2.gz UYCALLRDYFSTGO-UHFFFAOYSA-N 1 2 337.423 2.460 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000603017949 469223816 /nfs/dbraw/zinc/22/38/16/469223816.db2.gz ZCRNQDOVKSRCFM-GOSISDBHSA-N 1 2 332.423 2.002 20 30 EEEDLO C[C@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)c1cccc(C#N)c1 ZINC000611387183 469239384 /nfs/dbraw/zinc/23/93/84/469239384.db2.gz GOCHVUBLTXFCDB-LBPRGKRZSA-N 1 2 340.408 2.231 20 30 EEEDLO C=CCOc1cccnc1C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000565205684 469267980 /nfs/dbraw/zinc/26/79/80/469267980.db2.gz QGYMHBLVKBECAL-UHFFFAOYSA-N 1 2 339.386 2.353 20 30 EEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@H](CC#N)C1 ZINC000596803965 469364410 /nfs/dbraw/zinc/36/44/10/469364410.db2.gz XNWPZGFIDVJXTD-OAHLLOKOSA-N 1 2 343.431 2.384 20 30 EEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612315951 469436785 /nfs/dbraw/zinc/43/67/85/469436785.db2.gz WTVRLIARXDCATN-GOSISDBHSA-N 1 2 343.431 2.384 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000618846673 469455343 /nfs/dbraw/zinc/45/53/43/469455343.db2.gz MBAPDFDBBGYJEI-WBVHZDCISA-N 1 2 335.411 2.478 20 30 EEEDLO Cn1c[nH+]cc1CCNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000617619631 469741766 /nfs/dbraw/zinc/74/17/66/469741766.db2.gz RUFNKYYMYYSTDN-UHFFFAOYSA-N 1 2 348.410 2.170 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)NCCNc2cccc[nH+]2)cc1 ZINC000609112993 469891380 /nfs/dbraw/zinc/89/13/80/469891380.db2.gz SXIICEMMTVNVCN-KRWDZBQOSA-N 1 2 335.411 2.150 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000609485596 469932209 /nfs/dbraw/zinc/93/22/09/469932209.db2.gz SYKHIBOEOPRANC-APWZRJJASA-N 1 2 340.471 2.130 20 30 EEEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)cc1OC ZINC000628300441 470088597 /nfs/dbraw/zinc/08/85/97/470088597.db2.gz FRQSFMAGBVOGBZ-UKRRQHHQSA-N 1 2 327.808 2.105 20 30 EEEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)cc1OC ZINC000628300441 470088600 /nfs/dbraw/zinc/08/86/00/470088600.db2.gz FRQSFMAGBVOGBZ-UKRRQHHQSA-N 1 2 327.808 2.105 20 30 EEEDLO C=CCOCCCC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634303180 470242772 /nfs/dbraw/zinc/24/27/72/470242772.db2.gz JWFUXUOXYWAQCT-UHFFFAOYSA-N 1 2 335.473 2.234 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)nn1 ZINC000640885972 471093925 /nfs/dbraw/zinc/09/39/25/471093925.db2.gz FVGSVHBOEBFHLY-ZDUSSCGKSA-N 1 2 329.379 2.038 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)nn1 ZINC000657370505 471116169 /nfs/dbraw/zinc/11/61/69/471116169.db2.gz OQEMWKNJWVWXGK-INIZCTEOSA-N 1 2 345.834 2.403 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@@H](CC(C)C)C(=O)Nc2nccs2)nn1 ZINC000657424102 471132283 /nfs/dbraw/zinc/13/22/83/471132283.db2.gz SNJJDIZGADVYID-AWEZNQCLSA-N 1 2 348.476 2.454 20 30 EEEDLO C=CC[N@@H+](CC(=O)N(CCCC)[C@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000661754808 471873670 /nfs/dbraw/zinc/87/36/70/471873670.db2.gz BUJRHTLEONHCEZ-HNNXBMFYSA-N 1 2 344.521 2.089 20 30 EEEDLO C=CC[N@H+](CC(=O)N(CCCC)[C@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000661754808 471873675 /nfs/dbraw/zinc/87/36/75/471873675.db2.gz BUJRHTLEONHCEZ-HNNXBMFYSA-N 1 2 344.521 2.089 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](CC)c1nnc2n1CCCCC2 ZINC000661937565 471929658 /nfs/dbraw/zinc/92/96/58/471929658.db2.gz MYPMUGIGDZRFQR-OAHLLOKOSA-N 1 2 331.464 2.246 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C\c1ccc(Cl)cc1 ZINC000211905319 485530043 /nfs/dbraw/zinc/53/00/43/485530043.db2.gz ZKYVMGTUDOMELE-DAXSKMNVSA-N 1 2 347.846 2.428 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000675235705 485936277 /nfs/dbraw/zinc/93/62/77/485936277.db2.gz TWJVKPMTKZGFON-HNNXBMFYSA-N 1 2 335.448 2.423 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000675235705 485936282 /nfs/dbraw/zinc/93/62/82/485936282.db2.gz TWJVKPMTKZGFON-HNNXBMFYSA-N 1 2 335.448 2.423 20 30 EEEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(c3nnc[nH]3)CC2)c(C#N)c1C ZINC000363365090 526776881 /nfs/dbraw/zinc/77/68/81/526776881.db2.gz FMCSXOCOSAKVED-NSHDSACASA-N 1 2 342.403 2.093 20 30 EEEDLO CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000291802132 527724038 /nfs/dbraw/zinc/72/40/38/527724038.db2.gz XEWVBCXKRZFCIA-INIZCTEOSA-N 1 2 325.328 2.203 20 30 EEEDLO CCOCCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000157875961 528840859 /nfs/dbraw/zinc/84/08/59/528840859.db2.gz KDWODYUGKRMKCS-ZFWWWQNUSA-N 1 2 349.431 2.223 20 30 EEEDLO CCOCCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000157875961 528840865 /nfs/dbraw/zinc/84/08/65/528840865.db2.gz KDWODYUGKRMKCS-ZFWWWQNUSA-N 1 2 349.431 2.223 20 30 EEEDLO CCn1nccc1/C=C\C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000492244297 535853595 /nfs/dbraw/zinc/85/35/95/535853595.db2.gz SNEQRXBZWRTYAV-FPLPWBNLSA-N 1 2 349.438 2.132 20 30 EEEDLO N#CCn1c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)nc2ccccc2c1=O ZINC000728914821 576559816 /nfs/dbraw/zinc/55/98/16/576559816.db2.gz UQWMZJWRMYSVSL-AWEZNQCLSA-N 1 2 348.410 2.023 20 30 EEEDLO N#CCn1c(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)nc2ccccc2c1=O ZINC000728914821 576559818 /nfs/dbraw/zinc/55/98/18/576559818.db2.gz UQWMZJWRMYSVSL-AWEZNQCLSA-N 1 2 348.410 2.023 20 30 EEEDLO N#Cc1ccsc1NC(=O)COC(=O)c1ccc2[nH+]ccn2c1 ZINC000731909067 577132654 /nfs/dbraw/zinc/13/26/54/577132654.db2.gz ZAOCAGBLNSVLTK-UHFFFAOYSA-N 1 2 326.337 2.063 20 30 EEEDLO CC(=[NH+]Nc1ccccc1S(N)(=O)=O)c1ccc(N(C)C)cc1 ZINC000773113972 577316745 /nfs/dbraw/zinc/31/67/45/577316745.db2.gz QJPXROLGPBIGIR-UHFFFAOYSA-N 1 2 332.429 2.236 20 30 EEEDLO CCOC(=O)N1CCC[C@H]([C@@H](C)/[NH+]=C\c2ccc(O)c(O)c2O)C1 ZINC000776722268 577466512 /nfs/dbraw/zinc/46/65/12/577466512.db2.gz PRIKGVSBGWVIGK-OAWVYLDRSA-N 1 2 336.388 2.479 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)O[C@H](Cc2ccc(F)cc2F)C(C)=O)CC1 ZINC000768692118 577560914 /nfs/dbraw/zinc/56/09/14/577560914.db2.gz CJTGVQIUHWHNQK-GOSISDBHSA-N 1 2 349.377 2.353 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2cccc(OCC(F)(F)F)c2)CC1 ZINC000770273118 577593295 /nfs/dbraw/zinc/59/32/95/577593295.db2.gz AAZLZFRSDGMUJN-UHFFFAOYSA-N 1 2 326.318 2.019 20 30 EEEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)CC1(O)CCC1 ZINC000759876569 577652717 /nfs/dbraw/zinc/65/27/17/577652717.db2.gz LYAMIXAITFPPLQ-GFCCVEGCSA-N 1 2 329.425 2.319 20 30 EEEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)CC1(O)CCC1 ZINC000759876569 577652718 /nfs/dbraw/zinc/65/27/18/577652718.db2.gz LYAMIXAITFPPLQ-GFCCVEGCSA-N 1 2 329.425 2.319 20 30 EEEDLO CC[N@H+](CC(=O)NCCC#N)Cc1cc(Br)ccc1F ZINC000746136856 577922959 /nfs/dbraw/zinc/92/29/59/577922959.db2.gz IPFZFPLOJBNYEA-UHFFFAOYSA-N 1 2 342.212 2.440 20 30 EEEDLO CC[N@@H+](CC(=O)NCCC#N)Cc1cc(Br)ccc1F ZINC000746136856 577922960 /nfs/dbraw/zinc/92/29/60/577922960.db2.gz IPFZFPLOJBNYEA-UHFFFAOYSA-N 1 2 342.212 2.440 20 30 EEEDLO CC(C)OCC[NH+]1CCC([NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000827027360 601306350 /nfs/dbraw/zinc/30/63/50/601306350.db2.gz JAQGIYQOGMTJPV-GOSISDBHSA-N 1 2 345.443 2.163 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2coc(C)n2)[C@@H]1CC ZINC001087758657 782188531 /nfs/dbraw/zinc/18/85/31/782188531.db2.gz FQTCYIKEWLGDIP-FJIDUMEYSA-N 1 2 347.459 2.433 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2coc(C)n2)[C@@H]1CC ZINC001087758657 782188535 /nfs/dbraw/zinc/18/85/35/782188535.db2.gz FQTCYIKEWLGDIP-FJIDUMEYSA-N 1 2 347.459 2.433 20 30 EEEDLO C[C@H](NC(=O)c1cccnc1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969209767 674702982 /nfs/dbraw/zinc/70/29/82/674702982.db2.gz NEHSJHZOAHZQMF-ZDUSSCGKSA-N 1 2 338.386 2.343 20 30 EEEDLO C[C@H](NC(=O)[C@H]1CCCCO1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969483429 675066906 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ZINC000972572806 679331238 /nfs/dbraw/zinc/33/12/38/679331238.db2.gz LNFGBDMZCQHCFS-LJQANCHMSA-N 1 2 346.475 2.129 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)C2)C1 ZINC000972616402 679426475 /nfs/dbraw/zinc/42/64/75/679426475.db2.gz YJXRFOQENXCLKS-BJLQDIEVSA-N 1 2 332.488 2.385 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)C2)C1 ZINC000972616402 679426477 /nfs/dbraw/zinc/42/64/77/679426477.db2.gz YJXRFOQENXCLKS-BJLQDIEVSA-N 1 2 332.488 2.385 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)n[nH]c3C(C)C)C2)C1 ZINC000972631346 679461456 /nfs/dbraw/zinc/46/14/56/679461456.db2.gz KKNOIWBNCKRHQB-LJQANCHMSA-N 1 2 346.475 2.335 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)n[nH]c3C(C)C)C2)C1 ZINC000972631346 679461459 /nfs/dbraw/zinc/46/14/59/679461459.db2.gz KKNOIWBNCKRHQB-LJQANCHMSA-N 1 2 346.475 2.335 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[C@@H]3CC(C)(C)CO3)C2)C1 ZINC000972654974 679517896 /nfs/dbraw/zinc/51/78/96/679517896.db2.gz ZANFPURGCPDVOA-APWZRJJASA-N 1 2 336.476 2.071 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC[C@@H]3CC(C)(C)CO3)C2)C1 ZINC000972654974 679517897 /nfs/dbraw/zinc/51/78/97/679517897.db2.gz ZANFPURGCPDVOA-APWZRJJASA-N 1 2 336.476 2.071 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(C4CCCCC4)CC3)C2)C1 ZINC000972657224 679521102 /nfs/dbraw/zinc/52/11/02/679521102.db2.gz YHGSMCOGSAPJNQ-LJQANCHMSA-N 1 2 330.472 2.283 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(C4CCCCC4)CC3)C2)C1 ZINC000972657224 679521104 /nfs/dbraw/zinc/52/11/04/679521104.db2.gz YHGSMCOGSAPJNQ-LJQANCHMSA-N 1 2 330.472 2.283 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC000972662268 679530942 /nfs/dbraw/zinc/53/09/42/679530942.db2.gz LIIUKCMIEVDWRX-HNNXBMFYSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC000972662268 679530945 /nfs/dbraw/zinc/53/09/45/679530945.db2.gz LIIUKCMIEVDWRX-HNNXBMFYSA-N 1 2 345.834 2.166 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4oc(C)nc43)C2)C1 ZINC000972692323 679613952 /nfs/dbraw/zinc/61/39/52/679613952.db2.gz NGLCWZIPIDCCDE-IBGZPJMESA-N 1 2 341.411 2.239 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4oc(C)nc43)C2)C1 ZINC000972692323 679613954 /nfs/dbraw/zinc/61/39/54/679613954.db2.gz NGLCWZIPIDCCDE-IBGZPJMESA-N 1 2 341.411 2.239 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](OC)c3ccc(F)cc3)C2)C1 ZINC000972692753 679615797 /nfs/dbraw/zinc/61/57/97/679615797.db2.gz SCJYYJASIPRDGU-HKUYNNGSSA-N 1 2 348.418 2.003 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](OC)c3ccc(F)cc3)C2)C1 ZINC000972692753 679615800 /nfs/dbraw/zinc/61/58/00/679615800.db2.gz SCJYYJASIPRDGU-HKUYNNGSSA-N 1 2 348.418 2.003 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)CC2(C)C)on1 ZINC000972795577 679784932 /nfs/dbraw/zinc/78/49/32/679784932.db2.gz FXZDATVYORWCGF-QGZVFWFLSA-N 1 2 338.411 2.495 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC2(C)C)on1 ZINC000972795577 679784933 /nfs/dbraw/zinc/78/49/33/679784933.db2.gz FXZDATVYORWCGF-QGZVFWFLSA-N 1 2 338.411 2.495 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2cocn2)s1 ZINC001024362424 679879437 /nfs/dbraw/zinc/87/94/37/679879437.db2.gz KONKOKAXONOKFX-LBPRGKRZSA-N 1 2 330.413 2.392 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2cocn2)s1 ZINC001024362424 679879438 /nfs/dbraw/zinc/87/94/38/679879438.db2.gz KONKOKAXONOKFX-LBPRGKRZSA-N 1 2 330.413 2.392 20 30 EEEDLO Cc1ccnc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)n1 ZINC001024412891 679906523 /nfs/dbraw/zinc/90/65/23/679906523.db2.gz SSLOAVBMCRPEED-SFHVURJKSA-N 1 2 349.438 2.441 20 30 EEEDLO Cc1ccnc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)n1 ZINC001024412891 679906524 /nfs/dbraw/zinc/90/65/24/679906524.db2.gz SSLOAVBMCRPEED-SFHVURJKSA-N 1 2 349.438 2.441 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cnn(C)c1Cl ZINC001024510215 680005250 /nfs/dbraw/zinc/00/52/50/680005250.db2.gz HHQXRHGXAPTEIY-NSHDSACASA-N 1 2 331.247 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn(C)c1Cl ZINC001024510215 680005255 /nfs/dbraw/zinc/00/52/55/680005255.db2.gz HHQXRHGXAPTEIY-NSHDSACASA-N 1 2 331.247 2.410 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(N(C)C)nc1 ZINC001024524694 680034887 /nfs/dbraw/zinc/03/48/87/680034887.db2.gz YJGUMJYOVKQSTD-HNNXBMFYSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(N(C)C)nc1 ZINC001024524694 680034895 /nfs/dbraw/zinc/03/48/95/680034895.db2.gz YJGUMJYOVKQSTD-HNNXBMFYSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2cnccc2OC)C(C)(C)C1 ZINC000974757909 685387159 /nfs/dbraw/zinc/38/71/59/685387159.db2.gz SZYDBHUIWBRIFV-OAHLLOKOSA-N 1 2 337.851 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2cnccc2OC)C(C)(C)C1 ZINC000974757909 685387161 /nfs/dbraw/zinc/38/71/61/685387161.db2.gz SZYDBHUIWBRIFV-OAHLLOKOSA-N 1 2 337.851 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2ccnn2)c1 ZINC001028350175 681207681 /nfs/dbraw/zinc/20/76/81/681207681.db2.gz FEORBGRVATXWQJ-MRXNPFEDSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2ccnn2)c1 ZINC001028350175 681207687 /nfs/dbraw/zinc/20/76/87/681207687.db2.gz FEORBGRVATXWQJ-MRXNPFEDSA-N 1 2 345.834 2.214 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H]2C[C@@]2(C)Br)n1 ZINC000894109035 681287381 /nfs/dbraw/zinc/28/73/81/681287381.db2.gz FFGNWHAPHCOKJM-UKRRQHHQSA-N 1 2 340.265 2.138 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H]2C[C@@]2(C)Br)n1 ZINC000894109035 681287379 /nfs/dbraw/zinc/28/73/79/681287379.db2.gz FFGNWHAPHCOKJM-UKRRQHHQSA-N 1 2 340.265 2.138 20 30 EEEDLO C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000982823746 681335983 /nfs/dbraw/zinc/33/59/83/681335983.db2.gz FPSAIDJESZITJV-XJKSGUPXSA-N 1 2 333.457 2.079 20 30 EEEDLO C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000982823746 681335986 /nfs/dbraw/zinc/33/59/86/681335986.db2.gz FPSAIDJESZITJV-XJKSGUPXSA-N 1 2 333.457 2.079 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cn(C)nc1Cl ZINC001024753689 681415874 /nfs/dbraw/zinc/41/58/74/681415874.db2.gz DRFMQDVLQKXZAX-NSHDSACASA-N 1 2 331.247 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(C)nc1Cl ZINC001024753689 681415875 /nfs/dbraw/zinc/41/58/75/681415875.db2.gz DRFMQDVLQKXZAX-NSHDSACASA-N 1 2 331.247 2.410 20 30 EEEDLO C[C@]1(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)CCCOC1 ZINC000983026218 681685329 /nfs/dbraw/zinc/68/53/29/681685329.db2.gz KSHMFVOMKLLFFF-NRFANRHFSA-N 1 2 340.467 2.389 20 30 EEEDLO C[C@]1(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)CCCOC1 ZINC000983026218 681685335 /nfs/dbraw/zinc/68/53/35/681685335.db2.gz KSHMFVOMKLLFFF-NRFANRHFSA-N 1 2 340.467 2.389 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C3CCOCC3)C2)c(F)c1 ZINC001006546752 682280951 /nfs/dbraw/zinc/28/09/51/682280951.db2.gz QDIKWFQGVFYWPN-KRWDZBQOSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)C3CCOCC3)C2)c(F)c1 ZINC001006546752 682280955 /nfs/dbraw/zinc/28/09/55/682280955.db2.gz QDIKWFQGVFYWPN-KRWDZBQOSA-N 1 2 345.418 2.205 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1[nH]nnc1C ZINC001025257724 682335811 /nfs/dbraw/zinc/33/58/11/682335811.db2.gz GLFDANMATNPHRR-ZIAGYGMSSA-N 1 2 337.855 2.325 20 30 EEEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)C(C)(C)C1 ZINC000974824859 685586722 /nfs/dbraw/zinc/58/67/22/685586722.db2.gz JCGAWNLWAOGPET-SNVBAGLBSA-N 1 2 330.354 2.363 20 30 EEEDLO Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)s2)n1 ZINC001029508072 685607005 /nfs/dbraw/zinc/60/70/05/685607005.db2.gz NJNDOAHHKUGJLG-BETUJISGSA-N 1 2 341.440 2.140 20 30 EEEDLO Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)s2)n1 ZINC001029508072 685607011 /nfs/dbraw/zinc/60/70/11/685607011.db2.gz NJNDOAHHKUGJLG-BETUJISGSA-N 1 2 341.440 2.140 20 30 EEEDLO Cc1nn(C)c(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1Cl ZINC000894585568 682981656 /nfs/dbraw/zinc/98/16/56/682981656.db2.gz LQSSMSXYODHEFB-ZDUSSCGKSA-N 1 2 331.807 2.302 20 30 EEEDLO Cc1nn(C)c(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1Cl ZINC000894585568 682981660 /nfs/dbraw/zinc/98/16/60/682981660.db2.gz LQSSMSXYODHEFB-ZDUSSCGKSA-N 1 2 331.807 2.302 20 30 EEEDLO C=C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2nnc(CC)o2)C1)c1ccccc1 ZINC001019804693 683454514 /nfs/dbraw/zinc/45/45/14/683454514.db2.gz GCCAOSHFVNBSPE-JKSUJKDBSA-N 1 2 340.427 2.292 20 30 EEEDLO C=C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)C1)c1ccccc1 ZINC001019804954 683455078 /nfs/dbraw/zinc/45/50/78/683455078.db2.gz NWCRWWDSACLQLL-JKSUJKDBSA-N 1 2 326.400 2.038 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)C(F)F)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000992941661 683673380 /nfs/dbraw/zinc/67/33/80/683673380.db2.gz FEWPCCGVQWGYGC-QMTHXVAHSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)C(F)F)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000992941661 683673385 /nfs/dbraw/zinc/67/33/85/683673385.db2.gz FEWPCCGVQWGYGC-QMTHXVAHSA-N 1 2 325.334 2.432 20 30 EEEDLO Cc1c[nH]nc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029302225 683926829 /nfs/dbraw/zinc/92/68/29/683926829.db2.gz YGHBYMCHFWOLJB-BETUJISGSA-N 1 2 341.440 2.140 20 30 EEEDLO Cc1c[nH]nc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029302225 683926831 /nfs/dbraw/zinc/92/68/31/683926831.db2.gz YGHBYMCHFWOLJB-BETUJISGSA-N 1 2 341.440 2.140 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cocn2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993109664 683934241 /nfs/dbraw/zinc/93/42/41/683934241.db2.gz QELYLNOHGWRGSV-FZMZJTMJSA-N 1 2 330.413 2.391 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cocn2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993109664 683934242 /nfs/dbraw/zinc/93/42/42/683934242.db2.gz QELYLNOHGWRGSV-FZMZJTMJSA-N 1 2 330.413 2.391 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000896196840 684894403 /nfs/dbraw/zinc/89/44/03/684894403.db2.gz LVCXBLMDLPKFAK-HXUWFJFHSA-N 1 2 334.419 2.159 20 30 EEEDLO Cc1cccn2cc(CCNC(=O)NCc3nc(C#N)cs3)[nH+]c12 ZINC000893382700 685159153 /nfs/dbraw/zinc/15/91/53/685159153.db2.gz QVWABRYTSBXMGW-UHFFFAOYSA-N 1 2 340.412 2.013 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccn(C(F)F)n2)C(C)(C)C1 ZINC000974643434 685162391 /nfs/dbraw/zinc/16/23/91/685162391.db2.gz CJLMVMAJGWIQHH-NSHDSACASA-N 1 2 332.782 2.471 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccn(C(F)F)n2)C(C)(C)C1 ZINC000974643434 685162394 /nfs/dbraw/zinc/16/23/94/685162394.db2.gz CJLMVMAJGWIQHH-NSHDSACASA-N 1 2 332.782 2.471 20 30 EEEDLO N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)cc1 ZINC001026855434 685191239 /nfs/dbraw/zinc/19/12/39/685191239.db2.gz HFYVGRHGFCGRMG-UONOGXRCSA-N 1 2 343.324 2.397 20 30 EEEDLO N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)cc1 ZINC001026855434 685191241 /nfs/dbraw/zinc/19/12/41/685191241.db2.gz HFYVGRHGFCGRMG-UONOGXRCSA-N 1 2 343.324 2.397 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1n[nH]cc1F ZINC000975006737 686040147 /nfs/dbraw/zinc/04/01/47/686040147.db2.gz CSEKLZLYDILOLL-HNNXBMFYSA-N 1 2 341.390 2.061 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1n[nH]cc1F ZINC000975006737 686040150 /nfs/dbraw/zinc/04/01/50/686040150.db2.gz CSEKLZLYDILOLL-HNNXBMFYSA-N 1 2 341.390 2.061 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000938220734 694044961 /nfs/dbraw/zinc/04/49/61/694044961.db2.gz UMSOXRZPSILOTE-AWEZNQCLSA-N 1 2 340.427 2.496 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nc(CC)no3)[C@H](C)C2)C1 ZINC000947702374 687288289 /nfs/dbraw/zinc/28/82/89/687288289.db2.gz NANQHZOGIMDSRW-KGLIPLIRSA-N 1 2 332.448 2.457 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nc(CC)no3)[C@H](C)C2)C1 ZINC000947702374 687288295 /nfs/dbraw/zinc/28/82/95/687288295.db2.gz NANQHZOGIMDSRW-KGLIPLIRSA-N 1 2 332.448 2.457 20 30 EEEDLO CC(C)CCc1noc(C[NH2+][C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)n1 ZINC000986270659 688448591 /nfs/dbraw/zinc/44/85/91/688448591.db2.gz XFCCPPSITAXNIZ-HOCLYGCPSA-N 1 2 344.459 2.151 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001060175814 694247972 /nfs/dbraw/zinc/24/79/72/694247972.db2.gz QKBGRQBZKDMGDM-JKSUJKDBSA-N 1 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/nfs/dbraw/zinc/34/74/17/1194347417.db2.gz SBNPBGOBAXDZKP-RBUKOAKNSA-N 1 2 347.409 2.416 20 30 EEEDLO C=CCc1cc(C[N@@H+](CCS(C)(=O)=O)C2CC2)c(O)c(OC)c1 ZINC000164605493 1194420266 /nfs/dbraw/zinc/42/02/66/1194420266.db2.gz USZCECUWSUACFN-UHFFFAOYSA-N 1 2 339.457 2.138 20 30 EEEDLO C=CCc1cc(C[N@H+](CCS(C)(=O)=O)C2CC2)c(O)c(OC)c1 ZINC000164605493 1194420262 /nfs/dbraw/zinc/42/02/62/1194420262.db2.gz USZCECUWSUACFN-UHFFFAOYSA-N 1 2 339.457 2.138 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cnnn3CC)C2)CC1 ZINC001033389237 1194521681 /nfs/dbraw/zinc/52/16/81/1194521681.db2.gz KYLUQXYDUKEMNX-INIZCTEOSA-N 1 2 331.464 2.077 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](Cc3cnnn3CC)C2)CC1 ZINC001033389237 1194521684 /nfs/dbraw/zinc/52/16/84/1194521684.db2.gz KYLUQXYDUKEMNX-INIZCTEOSA-N 1 2 331.464 2.077 20 30 EEEDLO CCc1ncoc1C(=O)N(C)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033402661 1194545961 /nfs/dbraw/zinc/54/59/61/1194545961.db2.gz FCCVUWKTBGFWDU-KRWDZBQOSA-N 1 2 337.423 2.435 20 30 EEEDLO CCc1ncoc1C(=O)N(C)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033402661 1194545966 /nfs/dbraw/zinc/54/59/66/1194545966.db2.gz FCCVUWKTBGFWDU-KRWDZBQOSA-N 1 2 337.423 2.435 20 30 EEEDLO Cc1cnoc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033551208 1194703347 /nfs/dbraw/zinc/70/33/47/1194703347.db2.gz NQTXRYXAFSHQLF-GFCCVEGCSA-N 1 2 330.413 2.263 20 30 EEEDLO Cc1cnoc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033551208 1194703348 /nfs/dbraw/zinc/70/33/48/1194703348.db2.gz NQTXRYXAFSHQLF-GFCCVEGCSA-N 1 2 330.413 2.263 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001033580570 1194906349 /nfs/dbraw/zinc/90/63/49/1194906349.db2.gz UVEAVHDIFXONTC-HNNXBMFYSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001033580570 1194906351 /nfs/dbraw/zinc/90/63/51/1194906351.db2.gz UVEAVHDIFXONTC-HNNXBMFYSA-N 1 2 345.834 2.166 20 30 EEEDLO CCc1cnc(C[N@H+]2CC[C@H](N(CC)C(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001033788146 1195254937 /nfs/dbraw/zinc/25/49/37/1195254937.db2.gz AUIDPHXTXXXFJN-AWEZNQCLSA-N 1 2 341.415 2.173 20 30 EEEDLO CCc1cnc(C[N@@H+]2CC[C@H](N(CC)C(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001033788146 1195254942 /nfs/dbraw/zinc/25/49/42/1195254942.db2.gz AUIDPHXTXXXFJN-AWEZNQCLSA-N 1 2 341.415 2.173 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033795104 1195284332 /nfs/dbraw/zinc/28/43/32/1195284332.db2.gz KKWAGCDJCSNQEJ-INIZCTEOSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033795104 1195284336 /nfs/dbraw/zinc/28/43/36/1195284336.db2.gz KKWAGCDJCSNQEJ-INIZCTEOSA-N 1 2 341.390 2.157 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001108112688 1195712524 /nfs/dbraw/zinc/71/25/24/1195712524.db2.gz XUWNOCKEKFRMJX-HXUWFJFHSA-N 1 2 339.439 2.320 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001108112688 1195712528 /nfs/dbraw/zinc/71/25/28/1195712528.db2.gz XUWNOCKEKFRMJX-HXUWFJFHSA-N 1 2 339.439 2.320 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cnco3)C2)c(F)c1 ZINC001034337919 1196110615 /nfs/dbraw/zinc/11/06/15/1196110615.db2.gz SNWQCBFOZHAGDS-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)c3cnco3)C2)c(F)c1 ZINC001034337919 1196110621 /nfs/dbraw/zinc/11/06/21/1196110621.db2.gz SNWQCBFOZHAGDS-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001078970572 1196441121 /nfs/dbraw/zinc/44/11/21/1196441121.db2.gz XFJVJXYFYARQKT-INIZCTEOSA-N 1 2 346.475 2.325 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(NC(C)=O)c1C ZINC001018176904 1224429882 /nfs/dbraw/zinc/42/98/82/1224429882.db2.gz SDQQNITWPDTLRN-CALCHBBNSA-N 1 2 339.439 2.266 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(NC(C)=O)c1C ZINC001018176904 1224429889 /nfs/dbraw/zinc/42/98/89/1224429889.db2.gz SDQQNITWPDTLRN-CALCHBBNSA-N 1 2 339.439 2.266 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N(CC)CC)cc1 ZINC001018211626 1224474445 /nfs/dbraw/zinc/47/44/45/1224474445.db2.gz JEZLFSVLAYQDIW-KDURUIRLSA-N 1 2 325.456 2.455 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N(CC)CC)cc1 ZINC001018211626 1224474449 /nfs/dbraw/zinc/47/44/49/1224474449.db2.gz JEZLFSVLAYQDIW-KDURUIRLSA-N 1 2 325.456 2.455 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)CCOC(C)C ZINC001493078289 1198840855 /nfs/dbraw/zinc/84/08/55/1198840855.db2.gz HSGWVKLMBIDKRH-ZDUSSCGKSA-N 1 2 333.270 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)CCOC(C)C ZINC001493078289 1198840858 /nfs/dbraw/zinc/84/08/58/1198840858.db2.gz HSGWVKLMBIDKRH-ZDUSSCGKSA-N 1 2 333.270 2.291 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[N@H+]2CCOC[C@H]2CC)cc1OC ZINC000874700220 1198948581 /nfs/dbraw/zinc/94/85/81/1198948581.db2.gz OLOIKPDKUHZXEO-MRXNPFEDSA-N 1 2 348.443 2.101 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[N@@H+]2CCOC[C@H]2CC)cc1OC ZINC000874700220 1198948583 /nfs/dbraw/zinc/94/85/83/1198948583.db2.gz OLOIKPDKUHZXEO-MRXNPFEDSA-N 1 2 348.443 2.101 20 30 EEEDLO Cc1nnsc1C[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132037908 1199223239 /nfs/dbraw/zinc/22/32/39/1199223239.db2.gz KREIMCZPONCAOX-JSGCOSHPSA-N 1 2 334.489 2.365 20 30 EEEDLO Cc1nnsc1C[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132037908 1199223243 /nfs/dbraw/zinc/22/32/43/1199223243.db2.gz KREIMCZPONCAOX-JSGCOSHPSA-N 1 2 334.489 2.365 20 30 EEEDLO C=CCOc1ccc(CNC(=O)NCC[N@H+]2CCOC[C@@H]2CC)cc1 ZINC000875576219 1199303957 /nfs/dbraw/zinc/30/39/57/1199303957.db2.gz VKPLLIWEXHEKAY-KRWDZBQOSA-N 1 2 347.459 2.161 20 30 EEEDLO C=CCOc1ccc(CNC(=O)NCC[N@@H+]2CCOC[C@@H]2CC)cc1 ZINC000875576219 1199303961 /nfs/dbraw/zinc/30/39/61/1199303961.db2.gz VKPLLIWEXHEKAY-KRWDZBQOSA-N 1 2 347.459 2.161 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NCC(C)C)C1 ZINC001132221250 1199458751 /nfs/dbraw/zinc/45/87/51/1199458751.db2.gz DWMRGDPRKSNUTL-HOTGVXAUSA-N 1 2 337.508 2.330 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCC(C)C)C1 ZINC001132221250 1199458756 /nfs/dbraw/zinc/45/87/56/1199458756.db2.gz DWMRGDPRKSNUTL-HOTGVXAUSA-N 1 2 337.508 2.330 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001132228996 1199470728 /nfs/dbraw/zinc/47/07/28/1199470728.db2.gz ZACVYGOAZYWPLY-KGLIPLIRSA-N 1 2 348.443 2.330 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001132228996 1199470733 /nfs/dbraw/zinc/47/07/33/1199470733.db2.gz ZACVYGOAZYWPLY-KGLIPLIRSA-N 1 2 348.443 2.330 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)NCCC)C2)CCC1 ZINC001132282769 1199515276 /nfs/dbraw/zinc/51/52/76/1199515276.db2.gz MRHHUUWVIMDHMC-CVEARBPZSA-N 1 2 335.492 2.228 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)NCCC)C2)CCC1 ZINC001132282769 1199515279 /nfs/dbraw/zinc/51/52/79/1199515279.db2.gz MRHHUUWVIMDHMC-CVEARBPZSA-N 1 2 335.492 2.228 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)NCC(C)C)C2)CCC1 ZINC001132281428 1199515448 /nfs/dbraw/zinc/51/54/48/1199515448.db2.gz BVECNNGOSGEMQD-SJORKVTESA-N 1 2 349.519 2.474 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)NCC(C)C)C2)CCC1 ZINC001132281428 1199515453 /nfs/dbraw/zinc/51/54/53/1199515453.db2.gz BVECNNGOSGEMQD-SJORKVTESA-N 1 2 349.519 2.474 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)COCc2cccnc2)CC[C@H]1C ZINC001132448108 1199737366 /nfs/dbraw/zinc/73/73/66/1199737366.db2.gz FIDNQUGXZVUELD-GDBMZVCRSA-N 1 2 337.851 2.320 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)COCc2cccnc2)CC[C@H]1C ZINC001132448108 1199737371 /nfs/dbraw/zinc/73/73/71/1199737371.db2.gz FIDNQUGXZVUELD-GDBMZVCRSA-N 1 2 337.851 2.320 20 30 EEEDLO CC#CCCCC(=O)NCC[NH2+]Cc1noc(-c2ccccc2C)n1 ZINC001132597083 1199883337 /nfs/dbraw/zinc/88/33/37/1199883337.db2.gz VGQOIJZTBXPWFJ-UHFFFAOYSA-N 1 2 340.427 2.444 20 30 EEEDLO Cc1ccn(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)c(=O)c1C#N ZINC000811781941 1200293358 /nfs/dbraw/zinc/29/33/58/1200293358.db2.gz JGAVGDQTIOQEBL-FQEVSTJZSA-N 1 2 335.407 2.456 20 30 EEEDLO Cc1ccn(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)c(=O)c1C#N ZINC000811781941 1200293366 /nfs/dbraw/zinc/29/33/66/1200293366.db2.gz JGAVGDQTIOQEBL-FQEVSTJZSA-N 1 2 335.407 2.456 20 30 EEEDLO COc1cccc(C[NH+]2CCN(C(=O)Cc3cccc(C#N)c3)CC2)c1 ZINC000870156676 1200520503 /nfs/dbraw/zinc/52/05/03/1200520503.db2.gz BKUBZSHCBLOPKT-UHFFFAOYSA-N 1 2 349.434 2.454 20 30 EEEDLO C[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1CNCC#N ZINC001133222160 1200602986 /nfs/dbraw/zinc/60/29/86/1200602986.db2.gz LGYRPNVKUOJAER-DOTOQJQBSA-N 1 2 337.427 2.084 20 30 EEEDLO N#CCNCCN(Cc1cccc(Cl)c1)C(=O)CCc1[nH]cc[nH+]1 ZINC001133395895 1200855390 /nfs/dbraw/zinc/85/53/90/1200855390.db2.gz HGPSUXIAGBRJRR-UHFFFAOYSA-N 1 2 345.834 2.138 20 30 EEEDLO CCCc1n[nH]cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001015050834 1224686263 /nfs/dbraw/zinc/68/62/63/1224686263.db2.gz VVXXIXYHTGRHDL-GFCCVEGCSA-N 1 2 343.456 2.300 20 30 EEEDLO CCCc1n[nH]cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001015050834 1224686268 /nfs/dbraw/zinc/68/62/68/1224686268.db2.gz VVXXIXYHTGRHDL-GFCCVEGCSA-N 1 2 343.456 2.300 20 30 EEEDLO C=CCC1(O)CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000884046810 1202210867 /nfs/dbraw/zinc/21/08/67/1202210867.db2.gz SPHQUTZVSPCIEY-UHFFFAOYSA-N 1 2 344.459 2.294 20 30 EEEDLO C=CCN1CC2(C[NH+](Cc3cc(C(C)(C)C)ccc3O)C2)OCC1=O ZINC001274121225 1204388273 /nfs/dbraw/zinc/38/82/73/1204388273.db2.gz FTDZUWNXQDBLNM-UHFFFAOYSA-N 1 2 344.455 2.289 20 30 EEEDLO CCCn1cnc(C[N@@H+]2CCC[C@]23CCN(CCCC#N)C3=O)c1 ZINC001274728968 1205144916 /nfs/dbraw/zinc/14/49/16/1205144916.db2.gz LDXDTHMYCIECMV-GOSISDBHSA-N 1 2 329.448 2.164 20 30 EEEDLO CCCn1cnc(C[N@H+]2CCC[C@]23CCN(CCCC#N)C3=O)c1 ZINC001274728968 1205144917 /nfs/dbraw/zinc/14/49/17/1205144917.db2.gz LDXDTHMYCIECMV-GOSISDBHSA-N 1 2 329.448 2.164 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3c[nH]nc31)C2 ZINC001095417404 1205718945 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MBSJUBJOPVPBIW-MLHJIOFPSA-N 1 2 347.503 2.064 20 30 EEEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)CCCCC)C2 ZINC001111108445 1208236906 /nfs/dbraw/zinc/23/69/06/1208236906.db2.gz MBSJUBJOPVPBIW-MLHJIOFPSA-N 1 2 347.503 2.064 20 30 EEEDLO CCc1cnc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C[C@H]2C)o1 ZINC000947174283 1208404227 /nfs/dbraw/zinc/40/42/27/1208404227.db2.gz IJQKNMVZPAOTJM-OCCSQVGLSA-N 1 2 341.415 2.220 20 30 EEEDLO CCc1cnc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C[C@H]2C)o1 ZINC000947174283 1208404228 /nfs/dbraw/zinc/40/42/28/1208404228.db2.gz IJQKNMVZPAOTJM-OCCSQVGLSA-N 1 2 341.415 2.220 20 30 EEEDLO Cc1nc(N(C)CCCNC(=O)C[C@@H](C)n2cc[nH+]c2)ccc1C#N ZINC001095753627 1208484552 /nfs/dbraw/zinc/48/45/52/1208484552.db2.gz QCZFHXSBYLATMW-CQSZACIVSA-N 1 2 340.431 2.052 20 30 EEEDLO Cc1nc(N[C@H](C)[C@H]2CCCCN2C(=O)CSCC#N)cc[nH+]1 ZINC001095798173 1208529196 /nfs/dbraw/zinc/52/91/96/1208529196.db2.gz QPOWCGXLWJLJDF-TZMCWYRMSA-N 1 2 333.461 2.223 20 30 EEEDLO 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1210566575 /nfs/dbraw/zinc/56/65/75/1210566575.db2.gz HLHFDKJUYUUUTN-KBMXLJTQSA-N 1 2 340.358 2.221 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000951967606 1211138489 /nfs/dbraw/zinc/13/84/89/1211138489.db2.gz GCJHCRFLLNOJFY-RHSMWYFYSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000951967606 1211138490 /nfs/dbraw/zinc/13/84/90/1211138490.db2.gz GCJHCRFLLNOJFY-RHSMWYFYSA-N 1 2 344.459 2.052 20 30 EEEDLO CC(=O)c1ccc(NC(=O)CO[NH+]=C(N)Cc2ccccc2)cc1 ZINC000194281183 1211147928 /nfs/dbraw/zinc/14/79/28/1211147928.db2.gz NMOYCOVJQBUPFZ-UHFFFAOYSA-N 1 2 325.368 2.359 20 30 EEEDLO C=CCn1cc(C(=O)N(CC)C2C[NH+]([C@H](C)c3ccccc3)C2)nn1 ZINC000952425059 1211415290 /nfs/dbraw/zinc/41/52/90/1211415290.db2.gz DRKLFDKXYPJPGC-OAHLLOKOSA-N 1 2 339.443 2.372 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cnc2n1CCCC2 ZINC001015602859 1225452345 /nfs/dbraw/zinc/45/23/45/1225452345.db2.gz ISPVBZGDGJYWEE-SFHVURJKSA-N 1 2 348.450 2.075 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cnc2n1CCCC2 ZINC001015602859 1225452349 /nfs/dbraw/zinc/45/23/49/1225452349.db2.gz ISPVBZGDGJYWEE-SFHVURJKSA-N 1 2 348.450 2.075 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C3=CCCC3)C2)CC1 ZINC000956599416 1214121790 /nfs/dbraw/zinc/12/17/90/1214121790.db2.gz MYYWRQJVCXQZHW-QGZVFWFLSA-N 1 2 345.487 2.054 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[NH+]([C@H]3CCN(C(=O)CC(C)C)C3)CC2)C1 ZINC000956605532 1214127395 /nfs/dbraw/zinc/12/73/95/1214127395.db2.gz OBUROKOMNUJZPS-KRWDZBQOSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[NH+]([C@@H]3CCN(C(=O)/C(C)=C/C)C3)CC2)C1 ZINC000956606328 1214127531 /nfs/dbraw/zinc/12/75/31/1214127531.db2.gz SBQIACSVYIXWBD-RPDKKYPRSA-N 1 2 345.487 2.054 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(=O)Nc3cccc(C)c3)C2)C1 ZINC001015663808 1225525411 /nfs/dbraw/zinc/52/54/11/1225525411.db2.gz XPLNYLYGRZRAHZ-KRWDZBQOSA-N 1 2 341.455 2.480 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)Nc3cccc(C)c3)C2)C1 ZINC001015663808 1225525413 /nfs/dbraw/zinc/52/54/13/1225525413.db2.gz XPLNYLYGRZRAHZ-KRWDZBQOSA-N 1 2 341.455 2.480 20 30 EEEDLO C#CCOc1ccc(C[NH+]2CCN(c3nc(CC)ns3)CC2)cc1 ZINC000093643078 1214913614 /nfs/dbraw/zinc/91/36/14/1214913614.db2.gz WJJHZZQVCPMJLR-UHFFFAOYSA-N 1 2 342.468 2.435 20 30 EEEDLO C#CCOc1ccccc1C[NH+]1CCN(c2nc(CC)ns2)CC1 ZINC000093643094 1214913890 /nfs/dbraw/zinc/91/38/90/1214913890.db2.gz AQVYAQTVFZVUTP-UHFFFAOYSA-N 1 2 342.468 2.435 20 30 EEEDLO C#CCOc1ccc(C[NH+]2CCN(C3=NC[C@H](C)S3)CC2)cc1 ZINC000093663107 1214918257 /nfs/dbraw/zinc/91/82/57/1214918257.db2.gz OHZISIPROYCOAI-HNNXBMFYSA-N 1 2 329.469 2.308 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)Nc3cccc(F)c3)C[C@H]21 ZINC001114759155 1215233894 /nfs/dbraw/zinc/23/38/94/1215233894.db2.gz CSCVXLSDFWRYJH-MNZLEMJZSA-N 1 2 345.418 2.167 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)Nc3cccc(F)c3)C[C@H]21 ZINC001114759155 1215233895 /nfs/dbraw/zinc/23/38/95/1215233895.db2.gz CSCVXLSDFWRYJH-MNZLEMJZSA-N 1 2 345.418 2.167 20 30 EEEDLO CCCc1nc(C[N@H+](CC)CC2CCN(C(=O)[C@@H](C)C#N)CC2)no1 ZINC000957689771 1215347194 /nfs/dbraw/zinc/34/71/94/1215347194.db2.gz FGLABJZGBIDEIM-AWEZNQCLSA-N 1 2 347.463 2.242 20 30 EEEDLO CCCc1nc(C[N@@H+](CC)CC2CCN(C(=O)[C@@H](C)C#N)CC2)no1 ZINC000957689771 1215347197 /nfs/dbraw/zinc/34/71/97/1215347197.db2.gz FGLABJZGBIDEIM-AWEZNQCLSA-N 1 2 347.463 2.242 20 30 EEEDLO CC(C)c1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)[nH]n1 ZINC001015735320 1225606623 /nfs/dbraw/zinc/60/66/23/1225606623.db2.gz OFPLQCQYMJZFJU-KRWDZBQOSA-N 1 2 336.439 2.389 20 30 EEEDLO CC(C)c1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)[nH]n1 ZINC001015735320 1225606624 /nfs/dbraw/zinc/60/66/24/1225606624.db2.gz OFPLQCQYMJZFJU-KRWDZBQOSA-N 1 2 336.439 2.389 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCN1C(=O)c1ccon1 ZINC000960466082 1216604389 /nfs/dbraw/zinc/60/43/89/1216604389.db2.gz OWBVBOJWAHSKKR-MRXNPFEDSA-N 1 2 342.374 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338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[N@@H+](C)[C@H](C)c2ncccn2)cn1 ZINC000960980288 1216997665 /nfs/dbraw/zinc/99/76/65/1216997665.db2.gz ZOZKLQRUJVWQME-QAPCUYQASA-N 1 2 349.438 2.151 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[N@H+](C)[C@H](C)c2ncccn2)cn1 ZINC000960980288 1216997667 /nfs/dbraw/zinc/99/76/67/1216997667.db2.gz ZOZKLQRUJVWQME-QAPCUYQASA-N 1 2 349.438 2.151 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)C=CCC1 ZINC000961515365 1217209395 /nfs/dbraw/zinc/20/93/95/1217209395.db2.gz RACPMBMZECZYOB-UKTARXLSSA-N 1 2 325.250 2.298 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)C=CCC1 ZINC000961515365 1217209396 /nfs/dbraw/zinc/20/93/96/1217209396.db2.gz RACPMBMZECZYOB-UKTARXLSSA-N 1 2 325.250 2.298 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC1(C)C ZINC000961529504 1217213778 /nfs/dbraw/zinc/21/37/78/1217213778.db2.gz ORTAQHRVRDNZGB-QNWHQSFQSA-N 1 2 327.266 2.378 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC1(C)C ZINC000961529504 1217213781 /nfs/dbraw/zinc/21/37/81/1217213781.db2.gz ORTAQHRVRDNZGB-QNWHQSFQSA-N 1 2 327.266 2.378 20 30 EEEDLO C#CC[NH2+]C1CCC(N(C)C(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000963778933 1218033462 /nfs/dbraw/zinc/03/34/62/1218033462.db2.gz LWBXITDNCHCXJM-UHFFFAOYSA-N 1 2 337.427 2.078 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C(F)F ZINC000964595417 1218474930 /nfs/dbraw/zinc/47/49/30/1218474930.db2.gz BUVDPFNUFNPQQA-IINYFYTJSA-N 1 2 325.334 2.289 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C(F)F ZINC000964595417 1218474933 /nfs/dbraw/zinc/47/49/33/1218474933.db2.gz BUVDPFNUFNPQQA-IINYFYTJSA-N 1 2 325.334 2.289 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000965154121 1218928181 /nfs/dbraw/zinc/92/81/81/1218928181.db2.gz KQEYGXJYUBWQQF-INIZCTEOSA-N 1 2 344.459 2.196 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1NC(=O)c1cocn1 ZINC000965561962 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FCSOLOZGFZMYPY-KUHUBIRLSA-N 1 2 349.438 2.297 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc3[nH]c(C)nc3c2)C1 ZINC000966564623 1219849138 /nfs/dbraw/zinc/84/91/38/1219849138.db2.gz NBVJWRHXVXLRCW-MEBBXXQBSA-N 1 2 347.850 2.459 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc3[nH]c(C)nc3c2)C1 ZINC000966564623 1219849141 /nfs/dbraw/zinc/84/91/41/1219849141.db2.gz NBVJWRHXVXLRCW-MEBBXXQBSA-N 1 2 347.850 2.459 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cn(C(C)(C)C)nn2)C1 ZINC000966603900 1219882278 /nfs/dbraw/zinc/88/22/78/1219882278.db2.gz WRYPOSVTBYIBDH-DGCLKSJQSA-N 1 2 339.871 2.226 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cn(C(C)(C)C)nn2)C1 ZINC000966603900 1219882280 /nfs/dbraw/zinc/88/22/80/1219882280.db2.gz WRYPOSVTBYIBDH-DGCLKSJQSA-N 1 2 339.871 2.226 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2nc3cnccc3s2)C1 ZINC000967311997 1220403417 /nfs/dbraw/zinc/40/34/17/1220403417.db2.gz LRHUWOULDGSQKS-GXTWGEPZSA-N 1 2 328.441 2.155 20 30 EEEDLO CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2nc3cnccc3s2)C1 ZINC000967311997 1220403421 /nfs/dbraw/zinc/40/34/21/1220403421.db2.gz LRHUWOULDGSQKS-GXTWGEPZSA-N 1 2 328.441 2.155 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)nc1 ZINC001016021892 1225965409 /nfs/dbraw/zinc/96/54/09/1225965409.db2.gz BJBQUBAWYQJSMN-QGZVFWFLSA-N 1 2 348.381 2.078 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)nc1 ZINC001016021892 1225965414 /nfs/dbraw/zinc/96/54/14/1225965414.db2.gz BJBQUBAWYQJSMN-QGZVFWFLSA-N 1 2 348.381 2.078 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC000967581293 1220647056 /nfs/dbraw/zinc/64/70/56/1220647056.db2.gz NTKHIIPCDGTDIW-VQIMIIECSA-N 1 2 346.475 2.325 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000967629632 1220690240 /nfs/dbraw/zinc/69/02/40/1220690240.db2.gz QQUCKKPWWCJACR-ACJLOTCBSA-N 1 2 337.427 2.230 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000967629632 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MRJPDGHVJXMEPY-MJGOQNOKSA-N 1 2 344.430 2.184 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCCCO3)C2)c(F)c1 ZINC001007120057 1222101419 /nfs/dbraw/zinc/10/14/19/1222101419.db2.gz JQQZFGJBIBDVQK-SJLPKXTDSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CCCCO3)C2)c(F)c1 ZINC001007120057 1222101422 /nfs/dbraw/zinc/10/14/22/1222101422.db2.gz JQQZFGJBIBDVQK-SJLPKXTDSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccncc3Cl)C2)c[nH]1 ZINC001007134772 1222106430 /nfs/dbraw/zinc/10/64/30/1222106430.db2.gz QKKCGKWYTZNQOX-AWEZNQCLSA-N 1 2 343.818 2.329 20 30 EEEDLO N#Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccncc3Cl)C2)c[nH]1 ZINC001007134772 1222106432 /nfs/dbraw/zinc/10/64/32/1222106432.db2.gz QKKCGKWYTZNQOX-AWEZNQCLSA-N 1 2 343.818 2.329 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001007276225 1222152755 /nfs/dbraw/zinc/15/27/55/1222152755.db2.gz MQLSEUANRSSWLO-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001007276225 1222152757 /nfs/dbraw/zinc/15/27/57/1222152757.db2.gz MQLSEUANRSSWLO-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001007276780 1222153291 /nfs/dbraw/zinc/15/32/91/1222153291.db2.gz RASDTUKTKHXZDZ-QGZVFWFLSA-N 1 2 340.402 2.103 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001007276780 1222153293 /nfs/dbraw/zinc/15/32/93/1222153293.db2.gz RASDTUKTKHXZDZ-QGZVFWFLSA-N 1 2 340.402 2.103 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2ccc(C(F)F)n2)C1 ZINC001007478565 1222250443 /nfs/dbraw/zinc/25/04/43/1222250443.db2.gz WTAARJUIWYHQJD-NSHDSACASA-N 1 2 332.782 2.154 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2ccc(C(F)F)n2)C1 ZINC001007478565 1222250446 /nfs/dbraw/zinc/25/04/46/1222250446.db2.gz WTAARJUIWYHQJD-NSHDSACASA-N 1 2 332.782 2.154 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC001008244144 1222707553 /nfs/dbraw/zinc/70/75/53/1222707553.db2.gz WQKUTXZKFRHVRD-CQSZACIVSA-N 1 2 342.424 2.115 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC001008244144 1222707554 /nfs/dbraw/zinc/70/75/54/1222707554.db2.gz WQKUTXZKFRHVRD-CQSZACIVSA-N 1 2 342.424 2.115 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)Cc3cnoc3)C2)c(F)c1 ZINC001008274383 1222728371 /nfs/dbraw/zinc/72/83/71/1222728371.db2.gz CPIJHGODCAHNNV-INIZCTEOSA-N 1 2 342.374 2.009 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)Cc3cnoc3)C2)c(F)c1 ZINC001008274383 1222728375 /nfs/dbraw/zinc/72/83/75/1222728375.db2.gz CPIJHGODCAHNNV-INIZCTEOSA-N 1 2 342.374 2.009 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cn3ccccc3n2)C1 ZINC001016173006 1226168727 /nfs/dbraw/zinc/16/87/27/1226168727.db2.gz FDRJYBFJMWQNEI-KRWDZBQOSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cn3ccccc3n2)C1 ZINC001016173006 1226168733 /nfs/dbraw/zinc/16/87/33/1226168733.db2.gz FDRJYBFJMWQNEI-KRWDZBQOSA-N 1 2 345.406 2.210 20 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ZINC001010061056 1223530858 /nfs/dbraw/zinc/53/08/58/1223530858.db2.gz PMEXOKUPOSIZFV-IRXDYDNUSA-N 1 2 332.831 2.061 20 30 EEEDLO Cc1ncsc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001010309234 1223653967 /nfs/dbraw/zinc/65/39/67/1223653967.db2.gz AVQZUQWLZFJKEN-NSHDSACASA-N 1 2 332.454 2.389 20 30 EEEDLO Cc1ncsc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001010309234 1223653969 /nfs/dbraw/zinc/65/39/69/1223653969.db2.gz AVQZUQWLZFJKEN-NSHDSACASA-N 1 2 332.454 2.389 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)c1cocn1 ZINC001010372096 1223687309 /nfs/dbraw/zinc/68/73/09/1223687309.db2.gz AHAMIJIKNXJTMN-HNNXBMFYSA-N 1 2 329.787 2.184 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)c1cocn1 ZINC001010372096 1223687311 /nfs/dbraw/zinc/68/73/11/1223687311.db2.gz AHAMIJIKNXJTMN-HNNXBMFYSA-N 1 2 329.787 2.184 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)c1C ZINC001010397629 1223699445 /nfs/dbraw/zinc/69/94/45/1223699445.db2.gz OVGUZLRTSVEIKD-OAHLLOKOSA-N 1 2 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C=C(C)[C@H](CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncccn1)OCC ZINC001153660118 1316860563 /nfs/dbraw/zinc/86/05/63/1316860563.db2.gz KQBHSKTYEAUJKA-CVEARBPZSA-N 1 2 334.464 2.175 20 30 EEEDLO COc1cc(N2CCN(Cc3cccc(C#N)c3F)CC2)cc[nH+]1 ZINC001249693955 1317155260 /nfs/dbraw/zinc/15/52/60/1317155260.db2.gz RYDOJUCGTALXQM-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO CCOC(=O)c1cnc2n1CCN(c1[nH+]ccc3ccc(C#N)cc31)C2 ZINC001154666191 1317256142 /nfs/dbraw/zinc/25/61/42/1317256142.db2.gz IXVFPQKTCLWVMP-UHFFFAOYSA-N 1 2 347.378 2.500 20 30 EEEDLO C=CCOC[C@@H](O)C[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC001252471071 1317611034 /nfs/dbraw/zinc/61/10/34/1317611034.db2.gz BLQGIEQQCWVYHQ-AWEZNQCLSA-N 1 2 342.233 2.207 20 30 EEEDLO C=CCOC[C@@H](O)C[N@H+]1CCOc2ccc(Br)cc2C1 ZINC001252471071 1317611038 /nfs/dbraw/zinc/61/10/38/1317611038.db2.gz BLQGIEQQCWVYHQ-AWEZNQCLSA-N 1 2 342.233 2.207 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cc(C#N)ccc4F)C3)C2)cc1C#N ZINC001278680569 1317684086 /nfs/dbraw/zinc/68/40/86/1317684086.db2.gz 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C[NH2+][C@@H]1CCN1C(F)(F)c1nc(Cl)c(C#N)c(C(F)(F)F)n1 ZINC001156659355 1318145661 /nfs/dbraw/zinc/14/56/61/1318145661.db2.gz HHQKGSCUDDZUMN-LURJTMIESA-N 1 2 341.671 2.321 20 30 EEEDLO C=CCOCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(=C)Br ZINC001157701914 1318806366 /nfs/dbraw/zinc/80/63/66/1318806366.db2.gz MANHJCXNMRPVCK-CQSZACIVSA-N 1 2 345.281 2.411 20 30 EEEDLO C=CCOCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(=C)Br ZINC001157701914 1318806382 /nfs/dbraw/zinc/80/63/82/1318806382.db2.gz MANHJCXNMRPVCK-CQSZACIVSA-N 1 2 345.281 2.411 20 30 EEEDLO COC(=O)C[C@H]([NH2+]C1CCC(c2ccc(C#N)cc2)CC1)C(=O)OC ZINC001257010289 1318917941 /nfs/dbraw/zinc/91/79/41/1318917941.db2.gz WVXQVILKDYZBTF-JCYILVPMSA-N 1 2 344.411 2.279 20 30 EEEDLO COc1cc(N2CCN(c3[nH+]ccc4[nH]cc(C#N)c43)CC2)ccn1 ZINC001158097552 1319009391 /nfs/dbraw/zinc/00/93/91/1319009391.db2.gz FFTVXFHFGJXVHI-UHFFFAOYSA-N 1 2 334.383 2.165 20 30 EEEDLO COc1cc(N2CCN(c3[nH]ccc4ncc(C#N)c3-4)CC2)cc[nH+]1 ZINC001158097552 1319009405 /nfs/dbraw/zinc/00/94/05/1319009405.db2.gz FFTVXFHFGJXVHI-UHFFFAOYSA-N 1 2 334.383 2.165 20 30 EEEDLO N#C[C@H]1C[NH2+]CCN1C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001257493520 1319009672 /nfs/dbraw/zinc/00/96/72/1319009672.db2.gz QZQYLQMOLRFHOO-VJFUWPCTSA-N 1 2 333.476 2.276 20 30 EEEDLO Cc1cc(C[N@H+]2CC=C(CCNC(=O)c3cc(C#N)c[nH]3)CC2)no1 ZINC001159731752 1319970497 /nfs/dbraw/zinc/97/04/97/1319970497.db2.gz GZSGBEZLQQMWBZ-UHFFFAOYSA-N 1 2 339.399 2.135 20 30 EEEDLO Cc1cc(C[N@@H+]2CC=C(CCNC(=O)c3cc(C#N)c[nH]3)CC2)no1 ZINC001159731752 1319970501 /nfs/dbraw/zinc/97/05/01/1319970501.db2.gz GZSGBEZLQQMWBZ-UHFFFAOYSA-N 1 2 339.399 2.135 20 30 EEEDLO C#CCOCCOCCNc1nc(C)[nH+]c2cc(OC)c(OC)cc21 ZINC001160673823 1320228724 /nfs/dbraw/zinc/22/87/24/1320228724.db2.gz SAYPNVVAPATEMT-UHFFFAOYSA-N 1 2 345.399 2.034 20 30 EEEDLO CSc1nc(Cl)c(/C=N/O)c(NC2(C#N)CC[NH+](C)CC2)n1 ZINC001162227507 1320789245 /nfs/dbraw/zinc/78/92/45/1320789245.db2.gz VGENMXQPJYYSGA-FRKPEAEDSA-N 1 2 340.840 2.060 20 30 EEEDLO N#Cc1cc(F)cnc1N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001165693936 1321568046 /nfs/dbraw/zinc/56/80/46/1321568046.db2.gz YIEBJWWYCHZSMH-CQSZACIVSA-N 1 2 341.390 2.352 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@@H](CF)C1 ZINC001262941233 1322399921 /nfs/dbraw/zinc/39/99/21/1322399921.db2.gz GIAINDDAXWHIGQ-GJZGRUSLSA-N 1 2 337.443 2.042 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@@H](CF)C1 ZINC001262941233 1322399924 /nfs/dbraw/zinc/39/99/24/1322399924.db2.gz GIAINDDAXWHIGQ-GJZGRUSLSA-N 1 2 337.443 2.042 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001206501823 1323514329 /nfs/dbraw/zinc/51/43/29/1323514329.db2.gz HZIXXEMPKHBJMG-CZUORRHYSA-N 1 2 333.407 2.167 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC001206501823 1323514330 /nfs/dbraw/zinc/51/43/30/1323514330.db2.gz HZIXXEMPKHBJMG-CZUORRHYSA-N 1 2 333.407 2.167 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@]23CCN(Cc2ccncc2)C3=O)nc1 ZINC001276503840 1323806691 /nfs/dbraw/zinc/80/66/91/1323806691.db2.gz TVQHJFJIQGDYAX-FQEVSTJZSA-N 1 2 347.422 2.115 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@]23CCN(Cc2ccncc2)C3=O)nc1 ZINC001276503840 1323806699 /nfs/dbraw/zinc/80/66/99/1323806699.db2.gz TVQHJFJIQGDYAX-FQEVSTJZSA-N 1 2 347.422 2.115 20 30 EEEDLO C=CCOC[C@H]1C[N@H+](C[C@H]2CCCCO2)Cc2nnn(CC3CC3)c21 ZINC001207959427 1324234062 /nfs/dbraw/zinc/23/40/62/1324234062.db2.gz LEOLDCDGCMNNID-IAGOWNOFSA-N 1 2 346.475 2.359 20 30 EEEDLO C=CCOC[C@H]1C[N@@H+](C[C@H]2CCCCO2)Cc2nnn(CC3CC3)c21 ZINC001207959427 1324234070 /nfs/dbraw/zinc/23/40/70/1324234070.db2.gz LEOLDCDGCMNNID-IAGOWNOFSA-N 1 2 346.475 2.359 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CN(C)C(=O)CCCC(C)C)C1=O ZINC001316604199 1324291783 /nfs/dbraw/zinc/29/17/83/1324291783.db2.gz LETHBTNZHNYZKF-DLBZAZTESA-N 1 2 335.492 2.132 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CN(C)C(=O)CCCC(C)C)C1=O ZINC001316604199 1324291788 /nfs/dbraw/zinc/29/17/88/1324291788.db2.gz LETHBTNZHNYZKF-DLBZAZTESA-N 1 2 335.492 2.132 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2ncc(CC)o2)C[C@H]1C ZINC001208129652 1324329025 /nfs/dbraw/zinc/32/90/25/1324329025.db2.gz ZKUFFGWRBBYEED-OGWOLHLISA-N 1 2 349.475 2.402 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(CC)o2)C[C@H]1C ZINC001208129652 1324329030 /nfs/dbraw/zinc/32/90/30/1324329030.db2.gz ZKUFFGWRBBYEED-OGWOLHLISA-N 1 2 349.475 2.402 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)n(C)n3)C[C@H]2C)CC1 ZINC001208500882 1324529176 /nfs/dbraw/zinc/52/91/76/1324529176.db2.gz YENBBMJFHOAYOC-RHSMWYFYSA-N 1 2 330.476 2.411 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)n(C)n3)C[C@H]2C)CC1 ZINC001208500882 1324529181 /nfs/dbraw/zinc/52/91/81/1324529181.db2.gz YENBBMJFHOAYOC-RHSMWYFYSA-N 1 2 330.476 2.411 20 30 EEEDLO N#Cc1cnc2ccnn2c1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209926005 1325099926 /nfs/dbraw/zinc/09/99/26/1325099926.db2.gz LWCOZWQIHIMWAV-UHFFFAOYSA-N 1 2 334.383 2.177 20 30 EEEDLO Cc1cc(C(N)=[NH+]OCc2ccccc2-c2nn[nH]n2)ccc1F ZINC001609396167 1351959064 /nfs/dbraw/zinc/95/90/64/1351959064.db2.gz FCLGOTWUMDINQH-UHFFFAOYSA-N 1 2 326.335 2.151 20 30 EEEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC001335589674 1336398258 /nfs/dbraw/zinc/39/82/58/1336398258.db2.gz LIYZTKFSVRTWQD-AUUYWEPGSA-N 1 2 331.460 2.426 20 30 EEEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC001335589674 1336398261 /nfs/dbraw/zinc/39/82/61/1336398261.db2.gz LIYZTKFSVRTWQD-AUUYWEPGSA-N 1 2 331.460 2.426 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@](C)(OC)C1 ZINC001338926466 1336932938 /nfs/dbraw/zinc/93/29/38/1336932938.db2.gz CWHSFEQSVUKXCJ-GOSISDBHSA-N 1 2 333.480 2.455 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(CCCCO)C1CC1 ZINC001338927701 1336933379 /nfs/dbraw/zinc/93/33/79/1336933379.db2.gz WNYOAKGXANIDED-UHFFFAOYSA-N 1 2 333.480 2.191 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001339211287 1336976037 /nfs/dbraw/zinc/97/60/37/1336976037.db2.gz OEJRQNARVAKZOS-STQMWFEESA-N 1 2 332.477 2.119 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001339529858 1337022185 /nfs/dbraw/zinc/02/21/85/1337022185.db2.gz VBJNKTXCANWLBW-CRAIPNDOSA-N 1 2 331.464 2.238 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001339529858 1337022188 /nfs/dbraw/zinc/02/21/88/1337022188.db2.gz VBJNKTXCANWLBW-CRAIPNDOSA-N 1 2 331.464 2.238 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC(=C)CC1 ZINC001343581027 1337338723 /nfs/dbraw/zinc/33/87/23/1337338723.db2.gz MGIJXKNTSPDHJT-UHFFFAOYSA-N 1 2 345.491 2.215 20 30 EEEDLO C=CCC[NH+]1CCC(N(Cc2cnn[nH]2)C(=O)c2cc(C)co2)CC1 ZINC001575097474 1343733280 /nfs/dbraw/zinc/73/32/80/1343733280.db2.gz LHSRNDGNVXKJBG-UHFFFAOYSA-N 1 2 343.431 2.389 20 30 EEEDLO CN(Cc1ccco1)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001650269569 1353810418 /nfs/dbraw/zinc/81/04/18/1353810418.db2.gz GRKWTUYPDMXADZ-UHFFFAOYSA-N 1 2 328.420 2.138 20 30 EEEDLO CCOc1ccc2c(c1)C[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)CC2 ZINC000069227485 1354143066 /nfs/dbraw/zinc/14/30/66/1354143066.db2.gz WGTXVFPCFCDTBM-HNNXBMFYSA-N 1 2 329.444 2.452 20 30 EEEDLO CCOc1ccc2c(c1)C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)CC2 ZINC000069227485 1354143067 /nfs/dbraw/zinc/14/30/67/1354143067.db2.gz WGTXVFPCFCDTBM-HNNXBMFYSA-N 1 2 329.444 2.452 20 30 EEEDLO C#CCOCC[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000851733776 1367199004 /nfs/dbraw/zinc/19/90/04/1367199004.db2.gz GKVDVRCAPRFVKN-UHFFFAOYSA-N 1 2 341.238 2.401 20 30 EEEDLO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)C2CC2)cc1 ZINC001193167203 1368444267 /nfs/dbraw/zinc/44/42/67/1368444267.db2.gz QPGGGFNIUKKTMV-HNNXBMFYSA-N 1 2 348.468 2.003 20 30 EEEDLO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)C2CC2)cc1 ZINC001193167203 1368444271 /nfs/dbraw/zinc/44/42/71/1368444271.db2.gz QPGGGFNIUKKTMV-HNNXBMFYSA-N 1 2 348.468 2.003 20 30 EEEDLO C=CCCCC(=O)N1CCCO[C@H](C[NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001201284228 1368797101 /nfs/dbraw/zinc/79/71/01/1368797101.db2.gz QXNUMGAPOWFKCI-DZGCQCFKSA-N 1 2 336.436 2.002 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(OC)c(OC)c2F)C1=O ZINC001273905305 1368843339 /nfs/dbraw/zinc/84/33/39/1368843339.db2.gz UBXYLTAHVYRCOP-IBGZPJMESA-N 1 2 346.402 2.043 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(OC)c(OC)c2F)C1=O ZINC001273905305 1368843343 /nfs/dbraw/zinc/84/33/43/1368843343.db2.gz UBXYLTAHVYRCOP-IBGZPJMESA-N 1 2 346.402 2.043 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNc3cc[nH+]c(C)n3)C2)nc1 ZINC001069478283 1370140781 /nfs/dbraw/zinc/14/07/81/1370140781.db2.gz OBZGEPFJSIJGBO-JKSUJKDBSA-N 1 2 335.411 2.172 20 30 EEEDLO C=CCCC(=O)NC1(CC)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001069529695 1370169217 /nfs/dbraw/zinc/16/92/17/1370169217.db2.gz ONTCSNSLESKMRN-UHFFFAOYSA-N 1 2 346.475 2.206 20 30 EEEDLO CC(C)C[C@@H](C(=O)NC[C@@H](C)Nc1ncccc1C#N)n1cc[nH+]c1 ZINC001098107698 1370298397 /nfs/dbraw/zinc/29/83/97/1370298397.db2.gz OGNCIHYRLWTHCC-ZBFHGGJFSA-N 1 2 340.431 2.354 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H](C)CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001099732460 1371007942 /nfs/dbraw/zinc/00/79/42/1371007942.db2.gz BOFUESFMOTUSPD-JSGCOSHPSA-N 1 2 340.431 2.170 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H](C)CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001099732460 1371007948 /nfs/dbraw/zinc/00/79/48/1371007948.db2.gz BOFUESFMOTUSPD-JSGCOSHPSA-N 1 2 340.431 2.170 20 30 EEEDLO CC[N@H+](CC(=O)/C=C1/N(C)c2ccccc2C1(C)C)[C@H]1CCNC1=O ZINC000799353221 1371647820 /nfs/dbraw/zinc/64/78/20/1371647820.db2.gz FCVMFSYETVHRHC-BOFQVRIASA-N 1 2 341.455 2.077 20 30 EEEDLO CC[N@@H+](CC(=O)/C=C1/N(C)c2ccccc2C1(C)C)[C@H]1CCNC1=O ZINC000799353221 1371647825 /nfs/dbraw/zinc/64/78/25/1371647825.db2.gz FCVMFSYETVHRHC-BOFQVRIASA-N 1 2 341.455 2.077 20 30 EEEDLO CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)CCOCC1 ZINC001389496272 1388153870 /nfs/dbraw/zinc/15/38/70/1388153870.db2.gz ANEBLWBXFYGILR-GOSISDBHSA-N 1 2 341.455 2.456 20 30 EEEDLO CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CCOCC1 ZINC001389496272 1388153871 /nfs/dbraw/zinc/15/38/71/1388153871.db2.gz ANEBLWBXFYGILR-GOSISDBHSA-N 1 2 341.455 2.456 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(CC)C[C@@H]1CCCO1 ZINC001121519594 1371891440 /nfs/dbraw/zinc/89/14/40/1371891440.db2.gz RPGPPFMUHBZCGO-INIZCTEOSA-N 1 2 333.480 2.455 20 30 EEEDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139878868 1372532742 /nfs/dbraw/zinc/53/27/42/1372532742.db2.gz YOXKEFSISYLDQX-JKSUJKDBSA-N 1 2 349.406 2.157 20 30 EEEDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139878868 1372532746 /nfs/dbraw/zinc/53/27/46/1372532746.db2.gz YOXKEFSISYLDQX-JKSUJKDBSA-N 1 2 349.406 2.157 20 30 EEEDLO COc1cccc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)n1 ZINC001140139834 1372544524 /nfs/dbraw/zinc/54/45/24/1372544524.db2.gz DQIJCZZPICYXFX-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C#CCN(CC(=O)Nc1ccn2cc[nH+]c2c1)C(=O)OC(C)(C)C ZINC000834837348 1372571731 /nfs/dbraw/zinc/57/17/31/1372571731.db2.gz UIGVNBVTMGLYSX-UHFFFAOYSA-N 1 2 328.372 2.143 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC(C)C ZINC001342724893 1372950524 /nfs/dbraw/zinc/95/05/24/1372950524.db2.gz QEKLVCNMLGXYKG-YESZJQIVSA-N 1 2 345.491 2.318 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC(C)C ZINC001342724893 1372950528 /nfs/dbraw/zinc/95/05/28/1372950528.db2.gz QEKLVCNMLGXYKG-YESZJQIVSA-N 1 2 345.491 2.318 20 30 EEEDLO C=CC[C@@H](CC)NC(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001353684979 1373015975 /nfs/dbraw/zinc/01/59/75/1373015975.db2.gz IQFRXHDYJWQMBY-IAGOWNOFSA-N 1 2 340.427 2.212 20 30 EEEDLO C=CC1CCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2CCOC)CC1 ZINC001355086430 1373146587 /nfs/dbraw/zinc/14/65/87/1373146587.db2.gz HAJKFLUIKNJZQH-INIZCTEOSA-N 1 2 333.480 2.484 20 30 EEEDLO C=CC1CCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2CCOC)CC1 ZINC001355086430 1373146590 /nfs/dbraw/zinc/14/65/90/1373146590.db2.gz HAJKFLUIKNJZQH-INIZCTEOSA-N 1 2 333.480 2.484 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)CC(F)(F)F)C2)c(F)c1 ZINC001373495464 1376533126 /nfs/dbraw/zinc/53/31/26/1376533126.db2.gz YOCMSSYUTHTBAL-UHFFFAOYSA-N 1 2 329.297 2.198 20 30 EEEDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+](CCNC(=O)[C@H](C)C#N)C2CC2)c1 ZINC001377516128 1379323015 /nfs/dbraw/zinc/32/30/15/1379323015.db2.gz FCFGRYOTEDGLBF-CABCVRRESA-N 1 2 342.443 2.062 20 30 EEEDLO Cc1cccc(NC(=O)[C@H](C)[N@H+](CCNC(=O)[C@H](C)C#N)C2CC2)c1 ZINC001377516128 1379323020 /nfs/dbraw/zinc/32/30/20/1379323020.db2.gz FCFGRYOTEDGLBF-CABCVRRESA-N 1 2 342.443 2.062 20 30 EEEDLO COCC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001378110225 1379716479 /nfs/dbraw/zinc/71/64/79/1379716479.db2.gz LPNRDZUNCLQARJ-OAHLLOKOSA-N 1 2 333.407 2.060 20 30 EEEDLO COCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001378110225 1379716483 /nfs/dbraw/zinc/71/64/83/1379716483.db2.gz LPNRDZUNCLQARJ-OAHLLOKOSA-N 1 2 333.407 2.060 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2n[nH]c3ccccc23)C1 ZINC001378584537 1380085260 /nfs/dbraw/zinc/08/52/60/1380085260.db2.gz IHXAIJWDAGMPCM-GFCCVEGCSA-N 1 2 332.835 2.294 20 30 EEEDLO C[C@@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC001379035887 1380411058 /nfs/dbraw/zinc/41/10/58/1380411058.db2.gz UJNIHHLQDXACEI-AWEZNQCLSA-N 1 2 326.400 2.391 20 30 EEEDLO C[C@@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC001379035887 1380411059 /nfs/dbraw/zinc/41/10/59/1380411059.db2.gz UJNIHHLQDXACEI-AWEZNQCLSA-N 1 2 326.400 2.391 20 30 EEEDLO Cc1nc(C[N@@H+](C)C[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)c(C)s1 ZINC001379657636 1380801664 /nfs/dbraw/zinc/80/16/64/1380801664.db2.gz SVJNMDBXAPRWII-SNVBAGLBSA-N 1 2 331.445 2.210 20 30 EEEDLO Cc1nc(C[N@H+](C)C[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)c(C)s1 ZINC001379657636 1380801665 /nfs/dbraw/zinc/80/16/65/1380801665.db2.gz SVJNMDBXAPRWII-SNVBAGLBSA-N 1 2 331.445 2.210 20 30 EEEDLO CCn1cc(C(=O)NCC[N@H+](Cc2ccccc2C#N)C2CC2)cn1 ZINC001391152299 1389078709 /nfs/dbraw/zinc/07/87/09/1389078709.db2.gz CDMRXAZIMZLJJZ-UHFFFAOYSA-N 1 2 337.427 2.169 20 30 EEEDLO CCn1cc(C(=O)NCC[N@@H+](Cc2ccccc2C#N)C2CC2)cn1 ZINC001391152299 1389078713 /nfs/dbraw/zinc/07/87/13/1389078713.db2.gz CDMRXAZIMZLJJZ-UHFFFAOYSA-N 1 2 337.427 2.169 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1ccc2c(c1)NC(=O)C2)C1CC1 ZINC001391169835 1389093605 /nfs/dbraw/zinc/09/36/05/1389093605.db2.gz SLFOVRQFZRYVIX-UHFFFAOYSA-N 1 2 347.846 2.057 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1ccc2c(c1)NC(=O)C2)C1CC1 ZINC001391169835 1389093612 /nfs/dbraw/zinc/09/36/12/1389093612.db2.gz SLFOVRQFZRYVIX-UHFFFAOYSA-N 1 2 347.846 2.057 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)CCc3ccoc3)C2)c1 ZINC001391471509 1389381933 /nfs/dbraw/zinc/38/19/33/1389381933.db2.gz HKMGNHWQUPDUJY-UHFFFAOYSA-N 1 2 341.386 2.471 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)CCCC(C)=O)C1 ZINC001391570465 1389447326 /nfs/dbraw/zinc/44/73/26/1389447326.db2.gz GVHJBFUGPBQTAN-QGZVFWFLSA-N 1 2 343.427 2.017 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)CCCC(C)=O)C1 ZINC001391570465 1389447329 /nfs/dbraw/zinc/44/73/29/1389447329.db2.gz GVHJBFUGPBQTAN-QGZVFWFLSA-N 1 2 343.427 2.017 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnc(C(C)C)s2)C1 ZINC001393291324 1390398712 /nfs/dbraw/zinc/39/87/12/1390398712.db2.gz JVMZRUSIKMHEKC-OAHLLOKOSA-N 1 2 343.880 2.186 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnc(C(C)C)s2)C1 ZINC001393291324 1390398715 /nfs/dbraw/zinc/39/87/15/1390398715.db2.gz JVMZRUSIKMHEKC-OAHLLOKOSA-N 1 2 343.880 2.186 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)COc1cc(C)on1 ZINC001398742006 1394172358 /nfs/dbraw/zinc/17/23/58/1394172358.db2.gz QOAAVEGKNZCVCQ-CYBMUJFWSA-N 1 2 327.812 2.085 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)COc1cc(C)on1 ZINC001398742006 1394172359 /nfs/dbraw/zinc/17/23/59/1394172359.db2.gz QOAAVEGKNZCVCQ-CYBMUJFWSA-N 1 2 327.812 2.085 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C=C2CCC2)c1 ZINC001754306487 1406883436 /nfs/dbraw/zinc/88/34/36/1406883436.db2.gz UJDXSBAGGATBHA-OAHLLOKOSA-N 1 2 339.439 2.153 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C=C2CCC2)c1 ZINC001754306487 1406883448 /nfs/dbraw/zinc/88/34/48/1406883448.db2.gz UJDXSBAGGATBHA-OAHLLOKOSA-N 1 2 339.439 2.153 20 30 EEEDLO CCc1ccc([C@@H](C)C(=O)NC[C@@H]2CC[N@@H+]2CC#CCOC)cc1 ZINC001754497367 1406919159 /nfs/dbraw/zinc/91/91/59/1406919159.db2.gz LUIPQPJWAPHOHC-APWZRJJASA-N 1 2 328.456 2.193 20 30 EEEDLO CCc1ccc([C@@H](C)C(=O)NC[C@@H]2CC[N@H+]2CC#CCOC)cc1 ZINC001754497367 1406919165 /nfs/dbraw/zinc/91/91/65/1406919165.db2.gz LUIPQPJWAPHOHC-APWZRJJASA-N 1 2 328.456 2.193 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(C(F)(F)F)no1 ZINC001422515293 1399974521 /nfs/dbraw/zinc/97/45/21/1399974521.db2.gz IVCLJJFHJXBHBC-QMMMGPOBSA-N 1 2 325.718 2.496 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(C(F)(F)F)no1 ZINC001422515293 1399974527 /nfs/dbraw/zinc/97/45/27/1399974527.db2.gz IVCLJJFHJXBHBC-QMMMGPOBSA-N 1 2 325.718 2.496 20 30 EEEDLO C=CCCOCC(=O)NC[C@H]1Cc2ccccc2C[N@H+]1CC#CC ZINC001755076212 1407088027 /nfs/dbraw/zinc/08/80/27/1407088027.db2.gz WNJBHBGFLPPGGU-LJQANCHMSA-N 1 2 326.440 2.146 20 30 EEEDLO C=CCCOCC(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1CC#CC ZINC001755076212 1407088029 /nfs/dbraw/zinc/08/80/29/1407088029.db2.gz WNJBHBGFLPPGGU-LJQANCHMSA-N 1 2 326.440 2.146 20 30 EEEDLO C[C@@H](NC(=O)C[C@H]1CCOC1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001425243276 1401525992 /nfs/dbraw/zinc/52/59/92/1401525992.db2.gz ZEWGHXGAGZSGNK-UKRRQHHQSA-N 1 2 345.418 2.060 20 30 EEEDLO C[N@@H+](Cc1coc(C2CC2)n1)C[C@H]1CCCN1C(=O)CSCC#N ZINC001755188565 1407195707 /nfs/dbraw/zinc/19/57/07/1407195707.db2.gz BJPJZVNWDXLXRD-OAHLLOKOSA-N 1 2 348.472 2.232 20 30 EEEDLO C[N@H+](Cc1coc(C2CC2)n1)C[C@H]1CCCN1C(=O)CSCC#N ZINC001755188565 1407195710 /nfs/dbraw/zinc/19/57/10/1407195710.db2.gz BJPJZVNWDXLXRD-OAHLLOKOSA-N 1 2 348.472 2.232 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@H+](C)CC(=O)Nc1nccs1 ZINC001755315003 1407313531 /nfs/dbraw/zinc/31/35/31/1407313531.db2.gz JWGMPJCOGRJUFQ-MLGOLLRUSA-N 1 2 338.477 2.120 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)Nc1nccs1 ZINC001755315003 1407313538 /nfs/dbraw/zinc/31/35/38/1407313538.db2.gz JWGMPJCOGRJUFQ-MLGOLLRUSA-N 1 2 338.477 2.120 20 30 EEEDLO C=CCOCC(=O)N[C@H](C)C1C[NH+](Cc2cc(O)ccc2Cl)C1 ZINC001755380905 1407386871 /nfs/dbraw/zinc/38/68/71/1407386871.db2.gz JJCUIAVARISPMK-GFCCVEGCSA-N 1 2 338.835 2.185 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H](C)C1C[NH+](Cc2cc(=O)c(OC)co2)C1 ZINC001755387867 1407395695 /nfs/dbraw/zinc/39/56/95/1407395695.db2.gz SBWBRDHXHCZTRF-CYBMUJFWSA-N 1 2 348.443 2.187 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)C1C[NH+](Cc2cc(=O)c(OC)co2)C1 ZINC001755387868 1407395816 /nfs/dbraw/zinc/39/58/16/1407395816.db2.gz SBWBRDHXHCZTRF-ZDUSSCGKSA-N 1 2 348.443 2.187 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)C[C@H](C)[NH2+]Cc1noc(-c2ccoc2)n1 ZINC001755599886 1407671723 /nfs/dbraw/zinc/67/17/23/1407671723.db2.gz LTAULGCUFHOBAD-LBPRGKRZSA-N 1 2 332.404 2.478 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OC)nn2)[C@@H]1C ZINC001755716465 1407772130 /nfs/dbraw/zinc/77/21/30/1407772130.db2.gz AFCHFWLXRTWZGD-ZBFHGGJFSA-N 1 2 332.448 2.311 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(OC)nn2)[C@@H]1C ZINC001755716465 1407772134 /nfs/dbraw/zinc/77/21/34/1407772134.db2.gz AFCHFWLXRTWZGD-ZBFHGGJFSA-N 1 2 332.448 2.311 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001755917454 1407991175 /nfs/dbraw/zinc/99/11/75/1407991175.db2.gz OWUKTFAQGBPMDU-OAHLLOKOSA-N 1 2 332.448 2.148 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001756233642 1408242109 /nfs/dbraw/zinc/24/21/09/1408242109.db2.gz KUZIAVSWNIYYKF-GJZGRUSLSA-N 1 2 346.475 2.109 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001756596789 1409120452 /nfs/dbraw/zinc/12/04/52/1409120452.db2.gz BJNRHUGXNIJHAZ-HUUCEWRRSA-N 1 2 346.475 2.061 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H](CNC(=O)CCn2cc[nH+]c2)C(C)(C)C)C1 ZINC001756722628 1409256471 /nfs/dbraw/zinc/25/64/71/1409256471.db2.gz SUEVBRNAEVBUSD-HNNXBMFYSA-N 1 2 346.475 2.277 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001756813678 1409360968 /nfs/dbraw/zinc/36/09/68/1409360968.db2.gz WMELVIRGVYMNTD-LSDHHAIUSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001756943195 1409535393 /nfs/dbraw/zinc/53/53/93/1409535393.db2.gz XVEHMYWASDPBEB-CABCVRRESA-N 1 2 346.475 2.155 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H](CCNc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001111597480 1410839727 /nfs/dbraw/zinc/83/97/27/1410839727.db2.gz XHQHDXPAKWEWET-OAHLLOKOSA-N 1 2 343.475 2.081 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H](CCNc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001111597480 1410839740 /nfs/dbraw/zinc/83/97/40/1410839740.db2.gz XHQHDXPAKWEWET-OAHLLOKOSA-N 1 2 343.475 2.081 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCC(O)(CNc2cc[nH+]c(C)n2)CC1 ZINC001112451880 1410927633 /nfs/dbraw/zinc/92/76/33/1410927633.db2.gz QVYVYMKEFLNHRE-AWEZNQCLSA-N 1 2 332.448 2.153 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)c2C1 ZINC001069865320 1411077050 /nfs/dbraw/zinc/07/70/50/1411077050.db2.gz CIDOHBYKKJPZOK-BZUAXINKSA-N 1 2 328.460 2.327 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)c2C1 ZINC001069865320 1411077059 /nfs/dbraw/zinc/07/70/59/1411077059.db2.gz CIDOHBYKKJPZOK-BZUAXINKSA-N 1 2 328.460 2.327 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001101355340 782365456 /nfs/dbraw/zinc/36/54/56/782365456.db2.gz ABQRWLMQHZOFQN-AWEZNQCLSA-N 1 2 332.448 2.078 20 30 EEEDLO C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)CNc1cccc(F)c1C#N ZINC001104246563 757568030 /nfs/dbraw/zinc/56/80/30/757568030.db2.gz WZYLBAGKCRZOSO-LBPRGKRZSA-N 1 2 329.379 2.217 20 30 EEEDLO C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)CNc1cccc(F)c1C#N ZINC001104246563 757568040 /nfs/dbraw/zinc/56/80/40/757568040.db2.gz WZYLBAGKCRZOSO-LBPRGKRZSA-N 1 2 329.379 2.217 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(CC)n2)CCO1 ZINC001104343049 759593261 /nfs/dbraw/zinc/59/32/61/759593261.db2.gz JHVTWAWKYUBCGN-OAHLLOKOSA-N 1 2 332.448 2.025 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(Cl)ccc3C)[C@H]2C1 ZINC001083226254 759997182 /nfs/dbraw/zinc/99/71/82/759997182.db2.gz UBTXXRNOGRRQRE-DLBZAZTESA-N 1 2 332.831 2.197 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(Cl)ccc3C)[C@H]2C1 ZINC001083226254 759997186 /nfs/dbraw/zinc/99/71/86/759997186.db2.gz UBTXXRNOGRRQRE-DLBZAZTESA-N 1 2 332.831 2.197 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4nc(C)ccc4c3)[C@H]2C1 ZINC001083230160 760049004 /nfs/dbraw/zinc/04/90/04/760049004.db2.gz KPHCESVUAHOSSG-VQTJNVASSA-N 1 2 349.434 2.092 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4nc(C)ccc4c3)[C@H]2C1 ZINC001083230160 760049015 /nfs/dbraw/zinc/04/90/15/760049015.db2.gz KPHCESVUAHOSSG-VQTJNVASSA-N 1 2 349.434 2.092 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@H]1OC ZINC001213389678 761003253 /nfs/dbraw/zinc/00/32/53/761003253.db2.gz DULHNEKBGWAMLD-INMHGKMJSA-N 1 2 337.489 2.369 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@H]1OC ZINC001213389678 761003262 /nfs/dbraw/zinc/00/32/62/761003262.db2.gz DULHNEKBGWAMLD-INMHGKMJSA-N 1 2 337.489 2.369 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C)on1 ZINC001024441699 761378932 /nfs/dbraw/zinc/37/89/32/761378932.db2.gz HSHWMJYGBNGDDT-KSZLIROESA-N 1 2 347.459 2.435 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C)on1 ZINC001024441699 761378940 /nfs/dbraw/zinc/37/89/40/761378940.db2.gz HSHWMJYGBNGDDT-KSZLIROESA-N 1 2 347.459 2.435 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)c3ccc(F)cc3F)[C@H]2C1 ZINC001083280511 764569641 /nfs/dbraw/zinc/56/96/41/764569641.db2.gz VCUGSADIJZVDDP-JEBQAFNWSA-N 1 2 348.393 2.003 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)c3ccc(F)cc3F)[C@H]2C1 ZINC001083280511 764569644 /nfs/dbraw/zinc/56/96/44/764569644.db2.gz VCUGSADIJZVDDP-JEBQAFNWSA-N 1 2 348.393 2.003 20 30 EEEDLO C=CCCC1(C(=O)N(C)[C@@H](C)CNc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001104787209 765287252 /nfs/dbraw/zinc/28/72/52/765287252.db2.gz VDIHJVILDIZFEG-ZDUSSCGKSA-N 1 2 346.479 2.251 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)[C@@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001104832297 765384890 /nfs/dbraw/zinc/38/48/90/765384890.db2.gz WONKVENWKUCFSQ-LBPRGKRZSA-N 1 2 334.468 2.107 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)[C@H](C)CNc2cncc(C#N)n2)c(C)[nH+]1 ZINC001104883178 765500458 /nfs/dbraw/zinc/50/04/58/765500458.db2.gz AXUURKPARQJHQW-CYBMUJFWSA-N 1 2 338.415 2.241 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H](CNc2cc[nH+]c(C)n2)CC(C)C)c1 ZINC001104989644 765730652 /nfs/dbraw/zinc/73/06/52/765730652.db2.gz QTRNFMRDIBWQLT-KRWDZBQOSA-N 1 2 337.427 2.418 20 30 EEEDLO CC(C)C[C@H](CNc1ncc(C#N)cc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001104997035 768819779 /nfs/dbraw/zinc/81/97/79/768819779.db2.gz KYPYHFPRWKISLE-CQSZACIVSA-N 1 2 344.394 2.001 20 30 EEEDLO C=CCN(C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(C)C ZINC000918057408 768871062 /nfs/dbraw/zinc/87/10/62/768871062.db2.gz MNWWZNBVGUGXGI-GOSISDBHSA-N 1 2 331.460 2.493 20 30 EEEDLO C=CCN(C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(C)C ZINC000918057408 768871071 /nfs/dbraw/zinc/87/10/71/768871071.db2.gz MNWWZNBVGUGXGI-GOSISDBHSA-N 1 2 331.460 2.493 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001089442299 769241543 /nfs/dbraw/zinc/24/15/43/769241543.db2.gz UAACIJANHOREPV-RYUDHWBXSA-N 1 2 334.468 2.153 20 30 EEEDLO Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)o1 ZINC001031535421 769460565 /nfs/dbraw/zinc/46/05/65/769460565.db2.gz OHVXUDWXGCXQMW-UHFFFAOYSA-N 1 2 327.359 2.461 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001105293494 769611196 /nfs/dbraw/zinc/61/11/96/769611196.db2.gz WGUNSACJCZVUEU-OAGGEKHMSA-N 1 2 332.448 2.319 20 30 EEEDLO C#CCCCCC(=O)NCC[NH2+]Cc1nc(-c2cccs2)no1 ZINC001125939102 769636482 /nfs/dbraw/zinc/63/64/82/769636482.db2.gz SZSHEYPOSOAFQY-UHFFFAOYSA-N 1 2 332.429 2.198 20 30 EEEDLO Cc1nc(N[C@@H](C)C[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)ccc1C#N ZINC001089497815 769890810 /nfs/dbraw/zinc/89/08/10/769890810.db2.gz DMYGPIYCFXNBEH-QWHCGFSZSA-N 1 2 340.431 2.313 20 30 EEEDLO Cc1nc(N[C@@H](C)C[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)ccc1C#N ZINC001089497815 769890822 /nfs/dbraw/zinc/89/08/22/769890822.db2.gz DMYGPIYCFXNBEH-QWHCGFSZSA-N 1 2 340.431 2.313 20 30 EEEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)c3cncc(F)c3)C2)ccc1F ZINC001031607506 770182292 /nfs/dbraw/zinc/18/22/92/770182292.db2.gz UDYNSBUKYSFADU-UHFFFAOYSA-N 1 2 342.349 2.093 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H](n3cc(C[NH2+]C/C=C/Cl)nn3)C2)C1 ZINC001098715765 782820922 /nfs/dbraw/zinc/82/09/22/782820922.db2.gz JNOGXXVIQYJKCF-SJDLMVEWSA-N 1 2 349.866 2.250 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CCCO1 ZINC001089556388 770322313 /nfs/dbraw/zinc/32/23/13/770322313.db2.gz GFVLMASHPPFLHZ-QGZVFWFLSA-N 1 2 346.475 2.470 20 30 EEEDLO N#Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(F)c(F)c3)C2)c[nH]1 ZINC001031622544 770343558 /nfs/dbraw/zinc/34/35/58/770343558.db2.gz VDRBNEIYGZGIHT-UHFFFAOYSA-N 1 2 330.338 2.026 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ccc(F)cn3)C2)s1 ZINC001031625146 770414657 /nfs/dbraw/zinc/41/46/57/770414657.db2.gz IKHHVIWARIFUQS-UHFFFAOYSA-N 1 2 330.388 2.016 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060739374 770477625 /nfs/dbraw/zinc/47/76/25/770477625.db2.gz RHAPZLRRKHDHAU-SHTZXODSSA-N 1 2 346.475 2.346 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001027815706 770520327 /nfs/dbraw/zinc/52/03/27/770520327.db2.gz ZPRJZGGVRTVGMC-MRXNPFEDSA-N 1 2 340.431 2.058 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001027815706 770520334 /nfs/dbraw/zinc/52/03/34/770520334.db2.gz ZPRJZGGVRTVGMC-MRXNPFEDSA-N 1 2 340.431 2.058 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCCOCC3)C2)c(F)c1 ZINC001031641142 770550628 /nfs/dbraw/zinc/55/06/28/770550628.db2.gz OHEMIYDMHFESSX-INIZCTEOSA-N 1 2 345.418 2.062 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(-c2ccn(C)n2)on1 ZINC001027903652 774221546 /nfs/dbraw/zinc/22/15/46/774221546.db2.gz HPIKZULEKRXHEN-LBPRGKRZSA-N 1 2 349.822 2.022 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-c2ccn(C)n2)on1 ZINC001027903652 774221549 /nfs/dbraw/zinc/22/15/49/774221549.db2.gz HPIKZULEKRXHEN-LBPRGKRZSA-N 1 2 349.822 2.022 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001060756623 774431590 /nfs/dbraw/zinc/43/15/90/774431590.db2.gz YGIWOLPUGLHKTN-WKILWMFISA-N 1 2 344.459 2.031 20 30 EEEDLO C=C(C)CCC(=O)NC1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001063193712 790329634 /nfs/dbraw/zinc/32/96/34/790329634.db2.gz GGKSDZFDBOCPED-AWEZNQCLSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C(C)CCC(=O)NC1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001063193712 790329646 /nfs/dbraw/zinc/32/96/46/790329646.db2.gz GGKSDZFDBOCPED-AWEZNQCLSA-N 1 2 332.448 2.100 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC2C[NH+](Cc3cc(C)no3)C2)cc1 ZINC001031777912 775465928 /nfs/dbraw/zinc/46/59/28/775465928.db2.gz NSLZWQJNWZOSCJ-UHFFFAOYSA-N 1 2 341.411 2.410 20 30 EEEDLO CCCc1n[nH]cc1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031801165 775917677 /nfs/dbraw/zinc/91/76/77/775917677.db2.gz SZWUHGIMGIDCKO-UHFFFAOYSA-N 1 2 337.427 2.096 20 30 EEEDLO C=C(C)CCC(=O)NCC1(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001063260427 790462830 /nfs/dbraw/zinc/46/28/30/790462830.db2.gz YDCLXBIPQBYTPF-CQSZACIVSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C(C)CCC(=O)NCC1(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001063260427 790462835 /nfs/dbraw/zinc/46/28/35/790462835.db2.gz YDCLXBIPQBYTPF-CQSZACIVSA-N 1 2 332.448 2.100 20 30 EEEDLO COCc1ccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)o1 ZINC001031830638 776862812 /nfs/dbraw/zinc/86/28/12/776862812.db2.gz HEKWUSKKMAZVBT-UHFFFAOYSA-N 1 2 345.424 2.221 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC001028061049 776916221 /nfs/dbraw/zinc/91/62/21/776916221.db2.gz OPPUEXFXGJXWEH-UKRRQHHQSA-N 1 2 347.846 2.446 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC001028061049 776916227 /nfs/dbraw/zinc/91/62/27/776916227.db2.gz OPPUEXFXGJXWEH-UKRRQHHQSA-N 1 2 347.846 2.446 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnc2onc(C)c2c1 ZINC001028062867 776920319 /nfs/dbraw/zinc/92/03/19/776920319.db2.gz BYLXCVVGQPQGCY-ZDUSSCGKSA-N 1 2 334.807 2.478 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2onc(C)c2c1 ZINC001028062867 776920325 /nfs/dbraw/zinc/92/03/25/776920325.db2.gz BYLXCVVGQPQGCY-ZDUSSCGKSA-N 1 2 334.807 2.478 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@]34C[C@H]3CCC4)C2)c(F)c1 ZINC001031861553 777673526 /nfs/dbraw/zinc/67/35/26/777673526.db2.gz YFKNEXUFWQUSGJ-VQIMIIECSA-N 1 2 327.403 2.436 20 30 EEEDLO C[C@@H]1OCC[C@@]1(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000981676003 777963887 /nfs/dbraw/zinc/96/38/87/777963887.db2.gz JLYPXTPTIIOUCE-KBXCAEBGSA-N 1 2 347.484 2.469 20 30 EEEDLO C[C@@H]1OCC[C@@]1(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000981676003 777963889 /nfs/dbraw/zinc/96/38/89/777963889.db2.gz JLYPXTPTIIOUCE-KBXCAEBGSA-N 1 2 347.484 2.469 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NC[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091391831 790583153 /nfs/dbraw/zinc/58/31/53/790583153.db2.gz NQUWUECZVQRJLP-XDQVBPFNSA-N 1 2 342.447 2.128 20 30 EEEDLO CC[C@@H](F)C(=O)N1CCC[N@H+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000981763908 778159338 /nfs/dbraw/zinc/15/93/38/778159338.db2.gz MFLGGDYUOJIHKG-MRXNPFEDSA-N 1 2 333.407 2.349 20 30 EEEDLO CC[C@@H](F)C(=O)N1CCC[N@@H+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000981763908 778159341 /nfs/dbraw/zinc/15/93/41/778159341.db2.gz MFLGGDYUOJIHKG-MRXNPFEDSA-N 1 2 333.407 2.349 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091408413 790623224 /nfs/dbraw/zinc/62/32/24/790623224.db2.gz FSTGUVBVTMFARH-BETUJISGSA-N 1 2 342.447 2.272 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC[C@H]3C)CC2)C1 ZINC000981918304 778530342 /nfs/dbraw/zinc/53/03/42/778530342.db2.gz WCTQDFAYZQHTTF-QGZVFWFLSA-N 1 2 347.503 2.278 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[N@H+](CC(=O)N3CCCC[C@H]3C)CC2)C1 ZINC000981918304 778530346 /nfs/dbraw/zinc/53/03/46/778530346.db2.gz WCTQDFAYZQHTTF-QGZVFWFLSA-N 1 2 347.503 2.278 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCC[N@H+](Cc1nc(C)no1)C2 ZINC000981979551 778742245 /nfs/dbraw/zinc/74/22/45/778742245.db2.gz CAXVLTVVSXXPGD-KRWDZBQOSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCC[N@@H+](Cc1nc(C)no1)C2 ZINC000981979551 778742247 /nfs/dbraw/zinc/74/22/47/778742247.db2.gz CAXVLTVVSXXPGD-KRWDZBQOSA-N 1 2 332.448 2.405 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccco3)CC2)s1 ZINC000982325622 779728469 /nfs/dbraw/zinc/72/84/69/779728469.db2.gz RVENOZVPCDLVMB-UHFFFAOYSA-N 1 2 329.425 2.490 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3ccco3)CC2)s1 ZINC000982325622 779728475 /nfs/dbraw/zinc/72/84/75/779728475.db2.gz RVENOZVPCDLVMB-UHFFFAOYSA-N 1 2 329.425 2.490 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2nc(C)c(C)o2)cn1 ZINC001028271293 779846605 /nfs/dbraw/zinc/84/66/05/779846605.db2.gz DDROATFIUJJKIU-QGZVFWFLSA-N 1 2 338.411 2.062 20 30 EEEDLO 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345.281 2.147 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001080168980 795703588 /nfs/dbraw/zinc/70/35/88/795703588.db2.gz IBKSRBNBVFMCRQ-ZRJCITRHSA-N 1 2 345.281 2.147 20 30 EEEDLO C#Cc1ccccc1CC(=O)NCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001093775821 795704608 /nfs/dbraw/zinc/70/46/08/795704608.db2.gz JKPUXEQJHHHNCJ-UHFFFAOYSA-N 1 2 334.423 2.415 20 30 EEEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sc(Cl)nc1Cl ZINC001032785611 795792760 /nfs/dbraw/zinc/79/27/60/795792760.db2.gz LRJOANOUZHEHFM-IUCAKERBSA-N 1 2 330.240 2.372 20 30 EEEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sc(Cl)nc1Cl ZINC001032785611 795792765 /nfs/dbraw/zinc/79/27/65/795792765.db2.gz LRJOANOUZHEHFM-IUCAKERBSA-N 1 2 330.240 2.372 20 30 EEEDLO C[C@H](CCNc1ccc(C#N)cn1)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001106583195 795884056 /nfs/dbraw/zinc/88/40/56/795884056.db2.gz VZZKTWQFHDVOOX-OCCSQVGLSA-N 1 2 338.415 2.103 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCCNc1[nH+]c(C)nc(-n2cccn2)c1C ZINC001094050362 795893889 /nfs/dbraw/zinc/89/38/89/795893889.db2.gz DRNQOPOXGLBUTA-ZDUSSCGKSA-N 1 2 342.447 2.410 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3nnc(CC)o3)C[C@H]2C)C1 ZINC001080404804 795979604 /nfs/dbraw/zinc/97/96/04/795979604.db2.gz ZSFADMDDWZQBJB-HZSPNIEDSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3nnc(CC)o3)C[C@H]2C)C1 ZINC001080404804 795979610 /nfs/dbraw/zinc/97/96/10/795979610.db2.gz ZSFADMDDWZQBJB-HZSPNIEDSA-N 1 2 332.448 2.486 20 30 EEEDLO N#Cc1c(F)cccc1NCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001094203318 796017148 /nfs/dbraw/zinc/01/71/48/796017148.db2.gz QNWSVCSDTHMVDX-UHFFFAOYSA-N 1 2 341.390 2.001 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cccc(F)c3Cl)nn2)C1 ZINC001094322882 796129496 /nfs/dbraw/zinc/12/94/96/796129496.db2.gz NWUUTVBTJJVMQB-UHFFFAOYSA-N 1 2 349.797 2.043 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ncccc2O)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993254370 796161491 /nfs/dbraw/zinc/16/14/91/796161491.db2.gz YNIIAFBKBWRTMO-AEFFLSMTSA-N 1 2 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ZINC001109313238 805303297 /nfs/dbraw/zinc/30/32/97/805303297.db2.gz YVSKPHUBKFZJHY-ZDUSSCGKSA-N 1 2 348.410 2.393 20 30 EEEDLO CC[N@H+](C)[C@@H](C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000787715061 807203328 /nfs/dbraw/zinc/20/33/28/807203328.db2.gz FZLAGHSGQOVEMP-GOEBONIOSA-N 1 2 343.427 2.174 20 30 EEEDLO CC[N@@H+](C)[C@@H](C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000787715061 807203335 /nfs/dbraw/zinc/20/33/35/807203335.db2.gz FZLAGHSGQOVEMP-GOEBONIOSA-N 1 2 343.427 2.174 20 30 EEEDLO C=CCOCC(=O)N1CCC[C@@H]([C@@H]2CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112811579 807336514 /nfs/dbraw/zinc/33/65/14/807336514.db2.gz RBBWQQDHYKYUSA-IAGOWNOFSA-N 1 2 344.459 2.053 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC001112846207 807403046 /nfs/dbraw/zinc/40/30/46/807403046.db2.gz INJOMGPKKBQWFH-DNVCBOLYSA-N 1 2 344.430 2.386 20 30 EEEDLO C[C@H](CC(=O)NC1CC(CNc2ccc(C#N)cn2)C1)n1cc[nH+]c1 ZINC001112871773 807517680 /nfs/dbraw/zinc/51/76/80/807517680.db2.gz LMFSWNXIXULYHW-IUDNXUCKSA-N 1 2 338.415 2.108 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(C3CC3)c2)[C@H](O)C1 ZINC001090446205 807965894 /nfs/dbraw/zinc/96/58/94/807965894.db2.gz PTDJSHDCGIXHEN-ZWKOTPCHSA-N 1 2 348.874 2.410 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cccc(C3CC3)c2)[C@H](O)C1 ZINC001090446205 807965896 /nfs/dbraw/zinc/96/58/96/807965896.db2.gz PTDJSHDCGIXHEN-ZWKOTPCHSA-N 1 2 348.874 2.410 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2nc(Cl)sc2C)CC1 ZINC001113090551 808085973 /nfs/dbraw/zinc/08/59/73/808085973.db2.gz DXOKZFGFKYGBOH-UHFFFAOYSA-N 1 2 329.853 2.065 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H](C)[C@@H](C)Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001113280469 808610482 /nfs/dbraw/zinc/61/04/82/808610482.db2.gz FZLMNFQEQOOUJF-OLZOCXBDSA-N 1 2 342.447 2.415 20 30 EEEDLO C=CCCC1(C(=O)N[C@H](C)[C@H](C)Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001113280470 808610573 /nfs/dbraw/zinc/61/05/73/808610573.db2.gz FZLMNFQEQOOUJF-QWHCGFSZSA-N 1 2 342.447 2.415 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)[C@@H](C)Nc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001113315156 808710973 /nfs/dbraw/zinc/71/09/73/808710973.db2.gz XZYFQFODUZENBX-QWHCGFSZSA-N 1 2 346.479 2.298 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCOC[C@H]3CCCCO3)CC2)C1 ZINC001113324185 808754964 /nfs/dbraw/zinc/75/49/64/808754964.db2.gz DOLCUEDBYQSBOF-QGZVFWFLSA-N 1 2 336.476 2.073 20 30 EEEDLO C#CCCCC(=O)N(C)CC(C)(C)CNc1[nH+]cnc2c1cnn2C ZINC001113418168 808929876 /nfs/dbraw/zinc/92/98/76/808929876.db2.gz KWNFZOKPLWUYEP-UHFFFAOYSA-N 1 2 342.447 2.063 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(OCC3CC3)cc2)CC1 ZINC001113640004 809423488 /nfs/dbraw/zinc/42/34/88/809423488.db2.gz FATZFUBIMQDPJZ-UHFFFAOYSA-N 1 2 344.455 2.436 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2[nH]c3ccccc3c2OC)CC1 ZINC001113696896 809589425 /nfs/dbraw/zinc/58/94/25/809589425.db2.gz PZBSDPNDRPBJRH-UHFFFAOYSA-N 1 2 343.427 2.137 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3ncccc32)[C@@H](O)C1 ZINC001090472797 810114502 /nfs/dbraw/zinc/11/45/02/810114502.db2.gz QSDULFSTQFLZRH-SJORKVTESA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc3ncccc32)[C@@H](O)C1 ZINC001090472797 810114506 /nfs/dbraw/zinc/11/45/06/810114506.db2.gz QSDULFSTQFLZRH-SJORKVTESA-N 1 2 345.830 2.152 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC1[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@@H]12 ZINC001113998594 810169265 /nfs/dbraw/zinc/16/92/65/810169265.db2.gz AFCDMFNWPFJUNB-YLPDDBKMSA-N 1 2 333.259 2.333 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC1[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@@H]12 ZINC001113998594 810169268 /nfs/dbraw/zinc/16/92/68/810169268.db2.gz AFCDMFNWPFJUNB-YLPDDBKMSA-N 1 2 333.259 2.333 20 30 EEEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)Nc3c(C)cccc3C)C[C@H]21 ZINC001114008570 810186718 /nfs/dbraw/zinc/18/67/18/810186718.db2.gz IVVORRUXAYGYMP-IGOJGBNBSA-N 1 2 341.455 2.255 20 30 EEEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)Nc3c(C)cccc3C)C[C@H]21 ZINC001114008570 810186721 /nfs/dbraw/zinc/18/67/21/810186721.db2.gz IVVORRUXAYGYMP-IGOJGBNBSA-N 1 2 341.455 2.255 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC1CC1 ZINC001114081989 810308795 /nfs/dbraw/zinc/30/87/95/810308795.db2.gz HFOHYKXCXXQHSS-DZFIZOCASA-N 1 2 327.403 2.434 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC1CC1 ZINC001114081989 810308803 /nfs/dbraw/zinc/30/88/03/810308803.db2.gz HFOHYKXCXXQHSS-DZFIZOCASA-N 1 2 327.403 2.434 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc4c(o3)CCCC4)C[C@H]21 ZINC001114162668 810482475 /nfs/dbraw/zinc/48/24/75/810482475.db2.gz VWEHFALVPSEIFP-QVDMIQRCSA-N 1 2 341.455 2.293 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc4c(o3)CCCC4)C[C@H]21 ZINC001114162668 810482479 /nfs/dbraw/zinc/48/24/79/810482479.db2.gz VWEHFALVPSEIFP-QVDMIQRCSA-N 1 2 341.455 2.293 20 30 EEEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCCC(C)C)C1 ZINC001131312939 812668250 /nfs/dbraw/zinc/66/82/50/812668250.db2.gz BYQQXOMYPONPRM-ZACQAIPSSA-N 1 2 349.475 2.105 20 30 EEEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCCC(C)C)C1 ZINC001131312939 812668256 /nfs/dbraw/zinc/66/82/56/812668256.db2.gz BYQQXOMYPONPRM-ZACQAIPSSA-N 1 2 349.475 2.105 20 30 EEEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC(C)=C(C)C)C1 ZINC001131312881 812668649 /nfs/dbraw/zinc/66/86/49/812668649.db2.gz AUHKLSNJPXTNBU-ZACQAIPSSA-N 1 2 347.459 2.025 20 30 EEEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC(C)=C(C)C)C1 ZINC001131312881 812668652 /nfs/dbraw/zinc/66/86/52/812668652.db2.gz AUHKLSNJPXTNBU-ZACQAIPSSA-N 1 2 347.459 2.025 20 30 EEEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1cnc(C)n1C ZINC001437762776 1090338648 /nfs/dbraw/zinc/33/86/48/1090338648.db2.gz OINRVDRFJOVKIO-UHFFFAOYSA-N 1 2 343.269 2.079 20 30 EEEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1cnc(C)n1C ZINC001437762776 1090338653 /nfs/dbraw/zinc/33/86/53/1090338653.db2.gz OINRVDRFJOVKIO-UHFFFAOYSA-N 1 2 343.269 2.079 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCc2ccc(C(N)=O)cc2)C1 ZINC001438242795 1090724372 /nfs/dbraw/zinc/72/43/72/1090724372.db2.gz MGGHHUQNZYSYIB-INIZCTEOSA-N 1 2 349.862 2.003 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCc2ccc(C(N)=O)cc2)C1 ZINC001438242795 1090724373 /nfs/dbraw/zinc/72/43/73/1090724373.db2.gz MGGHHUQNZYSYIB-INIZCTEOSA-N 1 2 349.862 2.003 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1sccc1-n1ccnn1 ZINC001445759532 1091603806 /nfs/dbraw/zinc/60/38/06/1091603806.db2.gz ZGEDVYCQGVSWPA-LLVKDONJSA-N 1 2 339.852 2.131 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1sccc1-n1ccnn1 ZINC001445759532 1091603812 /nfs/dbraw/zinc/60/38/12/1091603812.db2.gz ZGEDVYCQGVSWPA-LLVKDONJSA-N 1 2 339.852 2.131 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H](CC)OC)CC1 ZINC001439796276 1092752828 /nfs/dbraw/zinc/75/28/28/1092752828.db2.gz LFOWLGMJFQBOME-GFCCVEGCSA-N 1 2 333.270 2.291 20 30 EEEDLO CC(C)c1noc([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)c2cc(C#N)c[nH]2)n1 ZINC001448634242 1093695934 /nfs/dbraw/zinc/69/59/34/1093695934.db2.gz LTZDRHVZZSHOFM-NWDGAFQWSA-N 1 2 344.419 2.204 20 30 EEEDLO N#Cc1cc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)ccn1 ZINC001448882002 1093924490 /nfs/dbraw/zinc/92/44/90/1093924490.db2.gz WGWWDORSMLIWHO-UHFFFAOYSA-N 1 2 331.379 2.057 20 30 EEEDLO COCC[N@H+](CCNC(=O)C1CCCC1)Cc1cc(C#N)ccc1F ZINC001442167192 1096428434 /nfs/dbraw/zinc/42/84/34/1096428434.db2.gz ICIIVMBEDASNDO-UHFFFAOYSA-N 1 2 347.434 2.452 20 30 EEEDLO COCC[N@@H+](CCNC(=O)C1CCCC1)Cc1cc(C#N)ccc1F ZINC001442167192 1096428439 /nfs/dbraw/zinc/42/84/39/1096428439.db2.gz ICIIVMBEDASNDO-UHFFFAOYSA-N 1 2 347.434 2.452 20 30 EEEDLO C[C@H](C#N)C(=O)NCC[N@H+](C)[C@H](C)c1nnc(-c2cccs2)o1 ZINC001442382552 1096704773 /nfs/dbraw/zinc/70/47/73/1096704773.db2.gz UGJQBHVQDQVRTC-GHMZBOCLSA-N 1 2 333.417 2.067 20 30 EEEDLO C[C@H](C#N)C(=O)NCC[N@@H+](C)[C@H](C)c1nnc(-c2cccs2)o1 ZINC001442382552 1096704776 /nfs/dbraw/zinc/70/47/76/1096704776.db2.gz UGJQBHVQDQVRTC-GHMZBOCLSA-N 1 2 333.417 2.067 20 30 EEEDLO C[C@H](OCC1CC1)C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001444975834 1100101551 /nfs/dbraw/zinc/10/15/51/1100101551.db2.gz RIQCULKDTBKDCP-HNNXBMFYSA-N 1 2 329.444 2.264 20 30 EEEDLO C[C@H](OCC1CC1)C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001444975834 1100101558 /nfs/dbraw/zinc/10/15/58/1100101558.db2.gz RIQCULKDTBKDCP-HNNXBMFYSA-N 1 2 329.444 2.264 20 30 EEEDLO CN(CC[N@H+](C)Cc1cccc(C#N)c1)C(=O)c1cc(C(F)F)[nH]n1 ZINC001445027515 1100191912 /nfs/dbraw/zinc/19/19/12/1100191912.db2.gz CEVRYJMDEBSASF-UHFFFAOYSA-N 1 2 347.369 2.423 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)c1cc(C(F)F)[nH]n1 ZINC001445027515 1100191915 /nfs/dbraw/zinc/19/19/15/1100191915.db2.gz CEVRYJMDEBSASF-UHFFFAOYSA-N 1 2 347.369 2.423 20 30 EEEDLO COCC1(CC(=O)N(C)CC[N@H+](C)Cc2cc(C#N)ccc2F)CC1 ZINC001496701638 1101299492 /nfs/dbraw/zinc/29/94/92/1101299492.db2.gz GMLWWHRBFMIYOM-UHFFFAOYSA-N 1 2 347.434 2.404 20 30 EEEDLO COCC1(CC(=O)N(C)CC[N@@H+](C)Cc2cc(C#N)ccc2F)CC1 ZINC001496701638 1101299494 /nfs/dbraw/zinc/29/94/94/1101299494.db2.gz GMLWWHRBFMIYOM-UHFFFAOYSA-N 1 2 347.434 2.404 20 30 EEEDLO C=C(Cl)CN1Cc2ccccc2C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001447430579 1102639603 /nfs/dbraw/zinc/63/96/03/1102639603.db2.gz NHPCIKQHIAXVFY-INIZCTEOSA-N 1 2 344.846 2.248 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)CCCC(=O)N(C)C)C1 ZINC001493973728 1103235079 /nfs/dbraw/zinc/23/50/79/1103235079.db2.gz MLSIFJINZDAJPK-OAHLLOKOSA-N 1 2 343.899 2.310 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CCCC(=O)N(C)C)C1 ZINC001493973728 1103235092 /nfs/dbraw/zinc/23/50/92/1103235092.db2.gz MLSIFJINZDAJPK-OAHLLOKOSA-N 1 2 343.899 2.310 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(C)nc2cc(C)nn21 ZINC001448145349 1104103264 /nfs/dbraw/zinc/10/32/64/1104103264.db2.gz QJAUSEOGNGUSHS-CYBMUJFWSA-N 1 2 335.839 2.149 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc(C)nc2cc(C)nn21 ZINC001448145349 1104103270 /nfs/dbraw/zinc/10/32/70/1104103270.db2.gz QJAUSEOGNGUSHS-CYBMUJFWSA-N 1 2 335.839 2.149 20 30 EEEDLO N#Cc1ccc(C[N@H+](CCNC(=O)C[C@@H]2CCOC2)C2CC2)c(F)c1 ZINC001493357148 1107980479 /nfs/dbraw/zinc/98/04/79/1107980479.db2.gz OQMJUZZCNSBMJC-HNNXBMFYSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@@H+](CCNC(=O)C[C@@H]2CCOC2)C2CC2)c(F)c1 ZINC001493357148 1107980490 /nfs/dbraw/zinc/98/04/90/1107980490.db2.gz OQMJUZZCNSBMJC-HNNXBMFYSA-N 1 2 345.418 2.205 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CCCc2nn(C)cc21)C1CC1 ZINC001493401810 1108083506 /nfs/dbraw/zinc/08/35/06/1108083506.db2.gz CJMRLRBAWMMJGO-AWEZNQCLSA-N 1 2 336.867 2.173 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CCCc2nn(C)cc21)C1CC1 ZINC001493401810 1108083514 /nfs/dbraw/zinc/08/35/14/1108083514.db2.gz CJMRLRBAWMMJGO-AWEZNQCLSA-N 1 2 336.867 2.173 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1cc(C)on1 ZINC001502158302 1113620286 /nfs/dbraw/zinc/62/02/86/1113620286.db2.gz MVMIPRALVVBCKU-UHFFFAOYSA-N 1 2 330.226 2.286 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1cc(C)on1 ZINC001502158302 1113620288 /nfs/dbraw/zinc/62/02/88/1113620288.db2.gz MVMIPRALVVBCKU-UHFFFAOYSA-N 1 2 330.226 2.286 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559583 215053319 /nfs/dbraw/zinc/05/33/19/215053319.db2.gz ZBOBVVHHGPCSJX-CYBMUJFWSA-N 1 2 331.384 2.463 20 30 EEEDLO C=CC[N@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559583 215053321 /nfs/dbraw/zinc/05/33/21/215053321.db2.gz ZBOBVVHHGPCSJX-CYBMUJFWSA-N 1 2 331.384 2.463 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372995094 291275879 /nfs/dbraw/zinc/27/58/79/291275879.db2.gz ADIJSYMQSNAAQE-GOSISDBHSA-N 1 2 338.411 2.437 20 30 EEEDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000446764642 242220515 /nfs/dbraw/zinc/22/05/15/242220515.db2.gz JVXHFTFVPRBCNF-MRXNPFEDSA-N 1 2 340.876 2.095 20 30 EEEDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000446764642 242220517 /nfs/dbraw/zinc/22/05/17/242220517.db2.gz JVXHFTFVPRBCNF-MRXNPFEDSA-N 1 2 340.876 2.095 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCCN(CC(C)(C)C)C2=O)n1 ZINC000491363000 246005240 /nfs/dbraw/zinc/00/52/40/246005240.db2.gz WRFXNTLKWIRAHD-QGZVFWFLSA-N 1 2 330.476 2.375 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCCN(CC(C)(C)C)C2=O)n1 ZINC000491363000 246005242 /nfs/dbraw/zinc/00/52/42/246005242.db2.gz WRFXNTLKWIRAHD-QGZVFWFLSA-N 1 2 330.476 2.375 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NCc2ccc(C)cc2)n1 ZINC000491645395 246096322 /nfs/dbraw/zinc/09/63/22/246096322.db2.gz OKQDWHKZHVVWAF-QGZVFWFLSA-N 1 2 338.455 2.352 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NCc2ccc(C)cc2)n1 ZINC000491645395 246096325 /nfs/dbraw/zinc/09/63/25/246096325.db2.gz OKQDWHKZHVVWAF-QGZVFWFLSA-N 1 2 338.455 2.352 20 30 EEEDLO C=CCNc1ncc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000095435667 218378616 /nfs/dbraw/zinc/37/86/16/218378616.db2.gz NATNYQYRSWIFTR-GFCCVEGCSA-N 1 2 329.429 2.145 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCS3)n2CC(=C)C)CC1 ZINC000491641143 533158600 /nfs/dbraw/zinc/15/86/00/533158600.db2.gz ZITFDWGVFVOFPD-HNNXBMFYSA-N 1 2 331.489 2.178 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cn1 ZINC000267224590 256039445 /nfs/dbraw/zinc/03/94/45/256039445.db2.gz OPKCYFPOCIIKNQ-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C[C@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000274086097 256352713 /nfs/dbraw/zinc/35/27/13/256352713.db2.gz SSRWALVIYTYQFG-UWVGGRQHSA-N 1 2 332.795 2.018 20 30 EEEDLO N#Cc1ncccc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000274128942 256356350 /nfs/dbraw/zinc/35/63/50/256356350.db2.gz VXNGXGPVJDYGIH-UHFFFAOYSA-N 1 2 338.411 2.276 20 30 EEEDLO C#C[C@@H](NC(=O)NCc1ccc[nH+]c1N(C)C)c1ccc(F)cc1 ZINC000491706958 533253562 /nfs/dbraw/zinc/25/35/62/533253562.db2.gz FMBSWYYKWQRVLD-MRXNPFEDSA-N 1 2 326.375 2.460 20 30 EEEDLO CCCNC(=O)C1CC[NH+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000083133475 159161520 /nfs/dbraw/zinc/16/15/20/159161520.db2.gz DDZPNVLMVMYWRH-KRWDZBQOSA-N 1 2 343.427 2.011 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000343756285 161165135 /nfs/dbraw/zinc/16/51/35/161165135.db2.gz MMXOYEGLWGWEJN-JTQLQIEISA-N 1 2 349.316 2.335 20 30 EEEDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000345096529 161271087 /nfs/dbraw/zinc/27/10/87/161271087.db2.gz MHYRKGGTWBAJCY-INIZCTEOSA-N 1 2 349.438 2.411 20 30 EEEDLO CCN1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000359991801 164211168 /nfs/dbraw/zinc/21/11/68/164211168.db2.gz IEPVMWLGJAIGEG-HNNXBMFYSA-N 1 2 326.360 2.073 20 30 EEEDLO N#Cc1cc(NCc2ccc(-n3cc[nH+]c3)nc2)cc(N)c1[N+](=O)[O-] ZINC000376078406 167257971 /nfs/dbraw/zinc/25/79/71/167257971.db2.gz IGFUUMNNMVMFNY-UHFFFAOYSA-N 1 2 335.327 2.241 20 30 EEEDLO COCCCOC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000122485206 222098027 /nfs/dbraw/zinc/09/80/27/222098027.db2.gz PWJXQGIQFXCRJS-UHFFFAOYSA-N 1 2 337.445 2.076 20 30 EEEDLO CC1(C)SC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000328737916 265974203 /nfs/dbraw/zinc/97/42/03/265974203.db2.gz KLCRGFLMNPRUMV-MRXNPFEDSA-N 1 2 344.484 2.484 20 30 EEEDLO CCc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)c(C#N)c1CC ZINC000278559727 266453913 /nfs/dbraw/zinc/45/39/13/266453913.db2.gz AVIYTEKMSFRWAR-UHFFFAOYSA-N 1 2 331.464 2.020 20 30 EEEDLO CCc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)c(C#N)c1CC ZINC000278559727 266453915 /nfs/dbraw/zinc/45/39/15/266453915.db2.gz AVIYTEKMSFRWAR-UHFFFAOYSA-N 1 2 331.464 2.020 20 30 EEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(F)cc1C#N ZINC000289035658 267080246 /nfs/dbraw/zinc/08/02/46/267080246.db2.gz JQBPDHLCKHPEGC-IUODEOHRSA-N 1 2 332.379 2.024 20 30 EEEDLO C[C@H](O)CNc1cc(NCCSCc2ccccc2C#N)[nH+]cn1 ZINC000298395614 267191255 /nfs/dbraw/zinc/19/12/55/267191255.db2.gz VPJDEJMFHHMYCT-ZDUSSCGKSA-N 1 2 343.456 2.486 20 30 EEEDLO C[C@H](O)CNc1cc(NCCSCc2ccccc2C#N)nc[nH+]1 ZINC000298395614 267191256 /nfs/dbraw/zinc/19/12/56/267191256.db2.gz VPJDEJMFHHMYCT-ZDUSSCGKSA-N 1 2 343.456 2.486 20 30 EEEDLO Cc1cc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1C#N ZINC000278019470 269207687 /nfs/dbraw/zinc/20/76/87/269207687.db2.gz OXYZYZPWRCSVSN-UHFFFAOYSA-N 1 2 330.413 2.089 20 30 EEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000280328390 269351620 /nfs/dbraw/zinc/35/16/20/269351620.db2.gz HLKDFDSGKCDUBD-PXAZEXFGSA-N 1 2 349.818 2.030 20 30 EEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000280328390 269351621 /nfs/dbraw/zinc/35/16/21/269351621.db2.gz HLKDFDSGKCDUBD-PXAZEXFGSA-N 1 2 349.818 2.030 20 30 EEEDLO Cc1oc(C#N)cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000280613316 269378979 /nfs/dbraw/zinc/37/89/79/269378979.db2.gz QRSPIZSWRCJRAE-QGZVFWFLSA-N 1 2 339.395 2.091 20 30 EEEDLO Cc1oc(C#N)cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000280613316 269378981 /nfs/dbraw/zinc/37/89/81/269378981.db2.gz QRSPIZSWRCJRAE-QGZVFWFLSA-N 1 2 339.395 2.091 20 30 EEEDLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268658841 277140881 /nfs/dbraw/zinc/14/08/81/277140881.db2.gz LQNOBVPOUWNNQW-MOPGFXCFSA-N 1 2 336.391 2.192 20 30 EEEDLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268658841 277140883 /nfs/dbraw/zinc/14/08/83/277140883.db2.gz LQNOBVPOUWNNQW-MOPGFXCFSA-N 1 2 336.391 2.192 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]2Cc2ccccc2)nc1 ZINC000563764346 319042178 /nfs/dbraw/zinc/04/21/78/319042178.db2.gz AHMHJDQUPYCWMZ-QGZVFWFLSA-N 1 2 341.436 2.044 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H]2Cc2ccccc2)nc1 ZINC000563764346 319042180 /nfs/dbraw/zinc/04/21/80/319042180.db2.gz AHMHJDQUPYCWMZ-QGZVFWFLSA-N 1 2 341.436 2.044 20 30 EEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cccc(C#N)n2)CC1 ZINC000566198074 319259219 /nfs/dbraw/zinc/25/92/19/319259219.db2.gz GGQPZHCMVQHSNR-AWEZNQCLSA-N 1 2 336.399 2.259 20 30 EEEDLO CCN(C)c1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cn1 ZINC000577718191 320271258 /nfs/dbraw/zinc/27/12/58/320271258.db2.gz AHFYBLUQYODNAA-UHFFFAOYSA-N 1 2 336.443 2.127 20 30 EEEDLO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000581048434 324173535 /nfs/dbraw/zinc/17/35/35/324173535.db2.gz JXYLPVDGTNCDPP-MRXNPFEDSA-N 1 2 349.438 2.411 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nc(CC)no3)[C@@H]2CC)C1 ZINC001087718596 782121832 /nfs/dbraw/zinc/12/18/32/782121832.db2.gz XNASGVKYJNCEMW-UONOGXRCSA-N 1 2 332.448 2.457 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nc(CC)no3)[C@@H]2CC)C1 ZINC001087718596 782121836 /nfs/dbraw/zinc/12/18/36/782121836.db2.gz XNASGVKYJNCEMW-UONOGXRCSA-N 1 2 332.448 2.457 20 30 EEEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NCc1cn2cc(C)ccc2[nH+]1 ZINC000341269312 465084229 /nfs/dbraw/zinc/08/42/29/465084229.db2.gz JDKQJPBBCHZNLX-UHFFFAOYSA-N 1 2 343.394 3.016 20 30 EEEDLO C[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000328697109 465103454 /nfs/dbraw/zinc/10/34/54/465103454.db2.gz HBOZOXNNNSIKSY-SYAUCNOPSA-N 1 2 337.443 2.025 20 30 EEEDLO C[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000328697109 465103460 /nfs/dbraw/zinc/10/34/60/465103460.db2.gz HBOZOXNNNSIKSY-SYAUCNOPSA-N 1 2 337.443 2.025 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(OC)c(OC)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000347634529 465138564 /nfs/dbraw/zinc/13/85/64/465138564.db2.gz GAMUVJHLYZXRIY-HNNXBMFYSA-N 1 2 339.457 2.187 20 30 EEEDLO C=CC[N@H+](Cc1ccc(OC)c(OC)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000347634529 465138568 /nfs/dbraw/zinc/13/85/68/465138568.db2.gz GAMUVJHLYZXRIY-HNNXBMFYSA-N 1 2 339.457 2.187 20 30 EEEDLO COC[C@](C)(C#N)NC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354778578 465148842 /nfs/dbraw/zinc/14/88/42/465148842.db2.gz WUQRKFQAAXZFAU-SFHVURJKSA-N 1 2 326.400 2.349 20 30 EEEDLO CC[C@@H](C(=O)N(C)Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339245892 465163792 /nfs/dbraw/zinc/16/37/92/465163792.db2.gz IIFJDPHTVGUIRD-MSOLQXFVSA-N 1 2 329.444 2.406 20 30 EEEDLO CC[C@@H](C(=O)N(C)Cc1ccc(C#N)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000339245892 465163797 /nfs/dbraw/zinc/16/37/97/465163797.db2.gz IIFJDPHTVGUIRD-MSOLQXFVSA-N 1 2 329.444 2.406 20 30 EEEDLO CC[C@H](C)n1ncc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1C1CC1 ZINC000328953685 465180822 /nfs/dbraw/zinc/18/08/22/465180822.db2.gz YBPOXEYQQQPBTJ-MAZHCROVSA-N 1 2 347.463 2.292 20 30 EEEDLO CC[C@H](C)n1ncc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1C1CC1 ZINC000328953685 465180826 /nfs/dbraw/zinc/18/08/26/465180826.db2.gz YBPOXEYQQQPBTJ-MAZHCROVSA-N 1 2 347.463 2.292 20 30 EEEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3COCCN3C)n2)C1 ZINC000329000311 465198701 /nfs/dbraw/zinc/19/87/01/465198701.db2.gz VPGYPWMDFATGKU-GXTWGEPZSA-N 1 2 338.477 2.294 20 30 EEEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3COCCN3C)n2)C1 ZINC000329000311 465198705 /nfs/dbraw/zinc/19/87/05/465198705.db2.gz VPGYPWMDFATGKU-GXTWGEPZSA-N 1 2 338.477 2.294 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NC1CC(F)(F)C1)C1CCOCC1 ZINC000329041942 465214746 /nfs/dbraw/zinc/21/47/46/465214746.db2.gz ILBJFIWRUWSQLX-LBPRGKRZSA-N 1 2 328.363 2.189 20 30 EEEDLO CCCn1cc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cn1 ZINC000355197107 465232693 /nfs/dbraw/zinc/23/26/93/465232693.db2.gz KXOHVECLMTUILC-DNVCBOLYSA-N 1 2 335.411 2.139 20 30 EEEDLO CCCn1cc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cn1 ZINC000355197107 465232696 /nfs/dbraw/zinc/23/26/96/465232696.db2.gz KXOHVECLMTUILC-DNVCBOLYSA-N 1 2 335.411 2.139 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2c(F)cccc2F)C1=O ZINC000337229522 465255199 /nfs/dbraw/zinc/25/51/99/465255199.db2.gz RXVZXUIXTXMJPB-FZMZJTMJSA-N 1 2 337.370 2.011 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2c(F)cccc2F)C1=O ZINC000337229522 465255205 /nfs/dbraw/zinc/25/52/05/465255205.db2.gz RXVZXUIXTXMJPB-FZMZJTMJSA-N 1 2 337.370 2.011 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CC(=O)NC(C)C ZINC000298062957 465289963 /nfs/dbraw/zinc/28/99/63/465289963.db2.gz CEJZECWQSKRODU-CQSZACIVSA-N 1 2 337.489 2.108 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CC(=O)NC(C)C ZINC000298062957 465289971 /nfs/dbraw/zinc/28/99/71/465289971.db2.gz CEJZECWQSKRODU-CQSZACIVSA-N 1 2 337.489 2.108 20 30 EEEDLO CC(=O)[C@H](NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)C(C)C ZINC000347996244 465359806 /nfs/dbraw/zinc/35/98/06/465359806.db2.gz SGEQXPJMSSFMBS-HXUWFJFHSA-N 1 2 339.439 2.377 20 30 EEEDLO CC(=O)[C@H](NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)C(C)C ZINC000347996244 465359814 /nfs/dbraw/zinc/35/98/14/465359814.db2.gz SGEQXPJMSSFMBS-HXUWFJFHSA-N 1 2 339.439 2.377 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/c1ccccc1Cl ZINC000060855752 462567921 /nfs/dbraw/zinc/56/79/21/462567921.db2.gz IGSHDWUNLBMBCK-VOTSOKGWSA-N 1 2 347.846 2.428 20 30 EEEDLO C[C@@H](c1cccnc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000127680226 462574915 /nfs/dbraw/zinc/57/49/15/462574915.db2.gz LKDVOXQQRUBCJA-AWEZNQCLSA-N 1 2 329.425 2.420 20 30 EEEDLO C[C@@H](c1cccnc1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000127680226 462574921 /nfs/dbraw/zinc/57/49/21/462574921.db2.gz LKDVOXQQRUBCJA-AWEZNQCLSA-N 1 2 329.425 2.420 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1C#N ZINC000064057276 462685593 /nfs/dbraw/zinc/68/55/93/462685593.db2.gz DYTZJBOANUVLGP-UHFFFAOYSA-N 1 2 348.472 2.327 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1C#N ZINC000064057276 462685597 /nfs/dbraw/zinc/68/55/97/462685597.db2.gz DYTZJBOANUVLGP-UHFFFAOYSA-N 1 2 348.472 2.327 20 30 EEEDLO Cc1ccccc1N1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000006982887 462715455 /nfs/dbraw/zinc/71/54/55/462715455.db2.gz RQXBZTCYLKFMIS-IBGZPJMESA-N 1 2 328.460 2.172 20 30 EEEDLO COc1ccc([C@H](CNc2ccc(C#N)cn2)[NH+]2CCOCC2)cc1 ZINC000012773397 462867723 /nfs/dbraw/zinc/86/77/23/462867723.db2.gz ADUIBACOYGCGNO-SFHVURJKSA-N 1 2 338.411 2.447 20 30 EEEDLO C#CC[N@H+](Cc1cccc(-c2ccccn2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092194122 462932809 /nfs/dbraw/zinc/93/28/09/462932809.db2.gz PVFDETZKVFTKLG-GOSISDBHSA-N 1 2 340.448 2.371 20 30 EEEDLO C#CC[N@@H+](Cc1cccc(-c2ccccn2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092194122 462932812 /nfs/dbraw/zinc/93/28/12/462932812.db2.gz PVFDETZKVFTKLG-GOSISDBHSA-N 1 2 340.448 2.371 20 30 EEEDLO CC(=O)N(C)C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000119862574 462936244 /nfs/dbraw/zinc/93/62/44/462936244.db2.gz OZQLSKCFOXXZEH-UHFFFAOYSA-N 1 2 348.834 2.093 20 30 EEEDLO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(F)cc(Cl)c1O ZINC000157635189 463151589 /nfs/dbraw/zinc/15/15/89/463151589.db2.gz INGPONWXAWYIQA-UHFFFAOYSA-N 1 2 327.787 2.492 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000069357434 463235027 /nfs/dbraw/zinc/23/50/27/463235027.db2.gz HBKKJGMDTIMVFL-MJGOQNOKSA-N 1 2 346.471 2.466 20 30 EEEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NC(=O)NCC(F)(F)F ZINC000072693010 463535316 /nfs/dbraw/zinc/53/53/16/463535316.db2.gz DFYOZXYIDVLXMZ-UHFFFAOYSA-N 1 2 336.358 2.026 20 30 EEEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NC(=O)NCC(F)(F)F ZINC000072693010 463535319 /nfs/dbraw/zinc/53/53/19/463535319.db2.gz DFYOZXYIDVLXMZ-UHFFFAOYSA-N 1 2 336.358 2.026 20 30 EEEDLO N#Cc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)nc1 ZINC000107460419 463571517 /nfs/dbraw/zinc/57/15/17/463571517.db2.gz DTIAGXOQQCAWEJ-UHFFFAOYSA-N 1 2 333.351 2.481 20 30 EEEDLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000164129074 463615051 /nfs/dbraw/zinc/61/50/51/463615051.db2.gz PPQCNTMDSBNUBR-CVEARBPZSA-N 1 2 347.484 2.235 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000164730026 463630735 /nfs/dbraw/zinc/63/07/35/463630735.db2.gz WPDCYKSOLMJBRA-KRWDZBQOSA-N 1 2 342.487 2.434 20 30 EEEDLO Cc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c(C)[nH+]1 ZINC000152155285 463653924 /nfs/dbraw/zinc/65/39/24/463653924.db2.gz RRBGSTBGZKQSDH-UHFFFAOYSA-N 1 2 336.399 2.319 20 30 EEEDLO CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000170647007 463688748 /nfs/dbraw/zinc/68/87/48/463688748.db2.gz LJULYTPKJQWXTJ-KGLIPLIRSA-N 1 2 332.423 2.123 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1C(=O)OC ZINC000127285554 463694422 /nfs/dbraw/zinc/69/44/22/463694422.db2.gz YTQONSQXBMYWQK-IAGOWNOFSA-N 1 2 333.428 2.182 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1C(=O)OC ZINC000127285554 463694426 /nfs/dbraw/zinc/69/44/26/463694426.db2.gz YTQONSQXBMYWQK-IAGOWNOFSA-N 1 2 333.428 2.182 20 30 EEEDLO CC(C)(C)OC(=O)NCC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000268334210 463709036 /nfs/dbraw/zinc/70/90/36/463709036.db2.gz JMBKGHWKMFDBEZ-UHFFFAOYSA-N 1 2 344.459 2.201 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000185142265 463761867 /nfs/dbraw/zinc/76/18/67/463761867.db2.gz PUSINNYZPXHUAU-HNNXBMFYSA-N 1 2 329.444 2.032 20 30 EEEDLO C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1nc(Cc2ccccc2)no1 ZINC000185399513 463815822 /nfs/dbraw/zinc/81/58/22/463815822.db2.gz ILVXYPOUOHBFIN-CQSZACIVSA-N 1 2 341.415 2.073 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)C[C@@H]1OC ZINC000276961795 463821932 /nfs/dbraw/zinc/82/19/32/463821932.db2.gz XDRYGYJXUMUCFY-OKILXGFUSA-N 1 2 325.206 2.166 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C[C@@H]1OC ZINC000276961795 463821938 /nfs/dbraw/zinc/82/19/38/463821938.db2.gz XDRYGYJXUMUCFY-OKILXGFUSA-N 1 2 325.206 2.166 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc2onc(C(C)(C)C)c2c1 ZINC000579599037 468383065 /nfs/dbraw/zinc/38/30/65/468383065.db2.gz WPQQBQUHCFHNMM-KRWDZBQOSA-N 1 2 329.404 2.094 20 30 EEEDLO CC[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000277176532 463898764 /nfs/dbraw/zinc/89/87/64/463898764.db2.gz SOAUSOLBMMYXEJ-OALUTQOASA-N 1 2 341.455 2.408 20 30 EEEDLO CCc1cc(N)nc(S[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)[nH+]1 ZINC000279096926 464036315 /nfs/dbraw/zinc/03/63/15/464036315.db2.gz ONIUVUCVZHAQHQ-CQSZACIVSA-N 1 2 339.424 2.390 20 30 EEEDLO CC[C@@H](NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000283920330 464043183 /nfs/dbraw/zinc/04/31/83/464043183.db2.gz DTHVLAZMMKNSNV-KGLIPLIRSA-N 1 2 339.823 2.375 20 30 EEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000289731231 464092608 /nfs/dbraw/zinc/09/26/08/464092608.db2.gz KBJKFCAXPJRUID-WFASDCNBSA-N 1 2 332.379 2.024 20 30 EEEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000198732151 464094043 /nfs/dbraw/zinc/09/40/43/464094043.db2.gz FZHVRSXERUBLBP-UHFFFAOYSA-N 1 2 347.893 2.402 20 30 EEEDLO C[C@@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)Nc1ccccc1OC(F)F ZINC000284441954 464192551 /nfs/dbraw/zinc/19/25/51/464192551.db2.gz PJGCPFGTQBFSTF-BXKDBHETSA-N 1 2 343.330 2.083 20 30 EEEDLO Cc1ccc2ncc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)n2c1 ZINC000179989144 464220736 /nfs/dbraw/zinc/22/07/36/464220736.db2.gz VPFBVAQJWWFHGQ-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO Cc1ccc2[nH+]cc(CN3CCN(c4ccc(C#N)cn4)CC3)n2c1 ZINC000179989144 464220740 /nfs/dbraw/zinc/22/07/40/464220740.db2.gz VPFBVAQJWWFHGQ-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO COc1ccc(-c2noc([C@H](C)O[NH+]=C(N)[C@H]3CCCO3)n2)cc1 ZINC000284509622 464220891 /nfs/dbraw/zinc/22/08/91/464220891.db2.gz TZXWJVORUBDDGZ-GXFFZTMASA-N 1 2 332.360 2.274 20 30 EEEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000271055957 464278307 /nfs/dbraw/zinc/27/83/07/464278307.db2.gz RAKNFUIIOKWLRK-UHFFFAOYSA-N 1 2 344.839 2.199 20 30 EEEDLO Cc1ccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1O ZINC000271462563 464317844 /nfs/dbraw/zinc/31/78/44/464317844.db2.gz XKNUKGFZVNTPFX-UHFFFAOYSA-N 1 2 349.434 2.459 20 30 EEEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC3(CC2)OCCCO3)c(C#N)c1C ZINC000292908684 464376946 /nfs/dbraw/zinc/37/69/46/464376946.db2.gz FEYPXRLKLVRTCV-CYBMUJFWSA-N 1 2 347.415 2.324 20 30 EEEDLO Cc1cc(C)cc(/C=C/C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000181017015 464434105 /nfs/dbraw/zinc/43/41/05/464434105.db2.gz FIIVXRPVNJNFML-SNAWJCMRSA-N 1 2 341.455 2.391 20 30 EEEDLO CC[C@](C)(C#N)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000285053278 464438712 /nfs/dbraw/zinc/43/87/12/464438712.db2.gz KNPRMYVOMLTXNO-PKOBYXMFSA-N 1 2 329.444 2.424 20 30 EEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000245812413 464516166 /nfs/dbraw/zinc/51/61/66/464516166.db2.gz QZKDWSFDTNTEFW-HZPDHXFCSA-N 1 2 346.450 2.344 20 30 EEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000245812413 464516172 /nfs/dbraw/zinc/51/61/72/464516172.db2.gz QZKDWSFDTNTEFW-HZPDHXFCSA-N 1 2 346.450 2.344 20 30 EEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCCOc1ccccc1[N+](=O)[O-] ZINC000181672741 464519891 /nfs/dbraw/zinc/51/98/91/464519891.db2.gz BKQGUAISFCGBKF-GFCCVEGCSA-N 1 2 325.365 2.324 20 30 EEEDLO COc1ccc([C@H](CNc2cccc(C#N)n2)[NH+]2CCOCC2)cc1 ZINC000265487752 464579082 /nfs/dbraw/zinc/57/90/82/464579082.db2.gz FMCYJJZCVFPRAM-SFHVURJKSA-N 1 2 338.411 2.447 20 30 EEEDLO C=CCS(=O)(=O)CCNc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000272828715 464690724 /nfs/dbraw/zinc/69/07/24/464690724.db2.gz KMOMFLWSTXVYJO-UHFFFAOYSA-N 1 2 332.429 2.114 20 30 EEEDLO Cc1ccnc(OC2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)c1 ZINC000273046764 464700205 /nfs/dbraw/zinc/70/02/05/464700205.db2.gz XTHMQPSGCDRFEG-LJQANCHMSA-N 1 2 342.443 2.042 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000275047611 464761773 /nfs/dbraw/zinc/76/17/73/464761773.db2.gz ZIBQKFHIKMYIKG-ZFWWWQNUSA-N 1 2 332.400 2.219 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000275047611 464761780 /nfs/dbraw/zinc/76/17/80/464761780.db2.gz ZIBQKFHIKMYIKG-ZFWWWQNUSA-N 1 2 332.400 2.219 20 30 EEEDLO CCC(CC)[C@H](C(=O)NCC#Cc1ccccc1)[NH+]1CCOCC1 ZINC000266008963 464762220 /nfs/dbraw/zinc/76/22/20/464762220.db2.gz GXMCEGBUZJVHPS-LJQANCHMSA-N 1 2 328.456 2.291 20 30 EEEDLO C=CCCN(C)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000276153837 464826909 /nfs/dbraw/zinc/82/69/09/464826909.db2.gz QHRIUNYYHYTDMJ-UHFFFAOYSA-N 1 2 347.459 2.115 20 30 EEEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCN(c3cccs3)CC2)cc1 ZINC000268229649 464982434 /nfs/dbraw/zinc/98/24/34/464982434.db2.gz YHTJVJVSEIJPKW-UHFFFAOYSA-N 1 2 340.452 2.058 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000184607132 465007941 /nfs/dbraw/zinc/00/79/41/465007941.db2.gz APISIBUNXZZJRV-HOTGVXAUSA-N 1 2 348.516 2.411 20 30 EEEDLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329421619 465329229 /nfs/dbraw/zinc/32/92/29/465329229.db2.gz HQLQHEDYKLESCY-JYJNAYRXSA-N 1 2 347.459 2.118 20 30 EEEDLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329421619 465329236 /nfs/dbraw/zinc/32/92/36/465329236.db2.gz HQLQHEDYKLESCY-JYJNAYRXSA-N 1 2 347.459 2.118 20 30 EEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000298430209 465393452 /nfs/dbraw/zinc/39/34/52/465393452.db2.gz NEUAABFPHJEQGV-INIZCTEOSA-N 1 2 326.444 2.081 20 30 EEEDLO Cn1cc(C[NH+]2CCN(C(=O)NCC3(C)CCCCC3)CC2)cn1 ZINC000329732838 465420012 /nfs/dbraw/zinc/42/00/12/465420012.db2.gz JDVWMPIPIRVNBF-UHFFFAOYSA-N 1 2 333.480 2.422 20 30 EEEDLO CN1CCOc2ccc([NH+]=C([O-])N[C@@H]3CCc4[nH+]c[nH]c4C3)cc21 ZINC000329789064 465436537 /nfs/dbraw/zinc/43/65/37/465436537.db2.gz SFONCLZPMLJPGK-LLVKDONJSA-N 1 2 327.388 2.122 20 30 EEEDLO Cc1nc([C@H](C)N2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)no1 ZINC000329849995 465451302 /nfs/dbraw/zinc/45/13/02/465451302.db2.gz QCDXYFTVYLCKBB-QWHCGFSZSA-N 1 2 335.452 2.344 20 30 EEEDLO Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000298632429 465454766 /nfs/dbraw/zinc/45/47/66/465454766.db2.gz GZRIXRSIHUISBR-GQCTYLIASA-N 1 2 341.411 2.460 20 30 EEEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000329900097 465468036 /nfs/dbraw/zinc/46/80/36/465468036.db2.gz NKYAZFXXWLKJHZ-QFBILLFUSA-N 1 2 332.444 2.374 20 30 EEEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000329900097 465468038 /nfs/dbraw/zinc/46/80/38/465468038.db2.gz NKYAZFXXWLKJHZ-QFBILLFUSA-N 1 2 332.444 2.374 20 30 EEEDLO N#Cc1cc(NCCNc2cccc[nH+]2)nc2ccc([N+](=O)[O-])cc12 ZINC000359671973 465480200 /nfs/dbraw/zinc/48/02/00/465480200.db2.gz CMUODOMHNLVCNS-UHFFFAOYSA-N 1 2 334.339 2.934 20 30 EEEDLO N#CC1(F)CCN(c2cc(N3CCC(F)(C#N)CC3)[nH+]cn2)CC1 ZINC000343233600 465492847 /nfs/dbraw/zinc/49/28/47/465492847.db2.gz JJEBRKKNVKXPPL-UHFFFAOYSA-N 1 2 332.358 2.141 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000339766898 465499048 /nfs/dbraw/zinc/49/90/48/465499048.db2.gz WBVRVTWOWXBHBV-UHFFFAOYSA-N 1 2 334.441 2.307 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000339766898 465499052 /nfs/dbraw/zinc/49/90/52/465499052.db2.gz 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465564795 /nfs/dbraw/zinc/56/47/95/465564795.db2.gz UNRSIOKYJDABTE-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(=O)OC ZINC000360542486 465577219 /nfs/dbraw/zinc/57/72/19/465577219.db2.gz JIFLPPDJBHMWEE-KBAYOESNSA-N 1 2 347.455 2.428 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(=O)OC ZINC000360542486 465577223 /nfs/dbraw/zinc/57/72/23/465577223.db2.gz JIFLPPDJBHMWEE-KBAYOESNSA-N 1 2 347.455 2.428 20 30 EEEDLO CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330297164 465602731 /nfs/dbraw/zinc/60/27/31/465602731.db2.gz GSZJQVYVSFWYJG-KBPBESRZSA-N 1 2 332.448 2.439 20 30 EEEDLO CCc1noc(C)c1NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330333408 465617189 /nfs/dbraw/zinc/61/71/89/465617189.db2.gz PTROPMXZYXUUTK-CYBMUJFWSA-N 1 2 332.408 2.193 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000339948307 465626568 /nfs/dbraw/zinc/62/65/68/465626568.db2.gz STGNQWBODBATAE-HNNXBMFYSA-N 1 2 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/nfs/dbraw/zinc/13/88/51/468138851.db2.gz XGHWVADMYYCZML-CYBMUJFWSA-N 1 2 344.394 2.089 20 30 EEEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000489503310 468145789 /nfs/dbraw/zinc/14/57/89/468145789.db2.gz XXFIAADEJHZFNN-LBPRGKRZSA-N 1 2 346.822 2.295 20 30 EEEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000489503310 468145792 /nfs/dbraw/zinc/14/57/92/468145792.db2.gz XXFIAADEJHZFNN-LBPRGKRZSA-N 1 2 346.822 2.295 20 30 EEEDLO Cn1nc(C[NH+]2CCN(c3cnccc3C#N)CC2)c2ccccc21 ZINC000590053276 468209514 /nfs/dbraw/zinc/20/95/14/468209514.db2.gz MNUAYZSHWPYPKT-UHFFFAOYSA-N 1 2 332.411 2.162 20 30 EEEDLO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCN(CCC#N)CC2)C1=O ZINC000590168777 468221203 /nfs/dbraw/zinc/22/12/03/468221203.db2.gz DUTXTMXKADGUSD-CRAIPNDOSA-N 1 2 344.434 2.019 20 30 EEEDLO C#CC[N@@H+](CC#CC)CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000490679332 468235245 /nfs/dbraw/zinc/23/52/45/468235245.db2.gz RULDJPNNPAEEHX-UHFFFAOYSA-N 1 2 326.318 2.129 20 30 EEEDLO C#CC[N@H+](CC#CC)CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000490679332 468235248 /nfs/dbraw/zinc/23/52/48/468235248.db2.gz RULDJPNNPAEEHX-UHFFFAOYSA-N 1 2 326.318 2.129 20 30 EEEDLO C#CCN(CC#CC)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000490701913 468237164 /nfs/dbraw/zinc/23/71/64/468237164.db2.gz YSMDBXNDWKPXEM-QGZVFWFLSA-N 1 2 338.386 2.317 20 30 EEEDLO CC(C)N(C(=O)[C@H](C)[NH+]1CCN(c2cnccc2C#N)CC1)C(C)C ZINC000578827454 468261308 /nfs/dbraw/zinc/26/13/08/468261308.db2.gz FYQJZQQDMRHABX-INIZCTEOSA-N 1 2 343.475 2.109 20 30 EEEDLO Cc1cc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c(C#N)c[nH+]1 ZINC000591823660 468527340 /nfs/dbraw/zinc/52/73/40/468527340.db2.gz BNOQNUZNHGMFDF-INIZCTEOSA-N 1 2 348.472 2.093 20 30 EEEDLO CN(C)[C@H](C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1c[nH+]cn1C ZINC000557079658 468610769 /nfs/dbraw/zinc/61/07/69/468610769.db2.gz ANSHGBZWPANAQZ-AEFFLSMTSA-N 1 2 337.427 2.088 20 30 EEEDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC2(CCCC2)O1 ZINC000592189815 468650324 /nfs/dbraw/zinc/65/03/24/468650324.db2.gz WTUKWGCJNJIXBP-OAHLLOKOSA-N 1 2 327.428 2.208 20 30 EEEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CC2(CCCC2)O1 ZINC000592189815 468650329 /nfs/dbraw/zinc/65/03/29/468650329.db2.gz WTUKWGCJNJIXBP-OAHLLOKOSA-N 1 2 327.428 2.208 20 30 EEEDLO Cc1cc(-c2cnn(CC#N)c2)ccc1OCC[NH+]1CCOCC1 ZINC000600775928 468654103 /nfs/dbraw/zinc/65/41/03/468654103.db2.gz DLVCXTIYLPEJBI-UHFFFAOYSA-N 1 2 326.400 2.093 20 30 EEEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cnn1-c1cccc(Cl)c1 ZINC000570847947 468704116 /nfs/dbraw/zinc/70/41/16/468704116.db2.gz IHUSKMFFOSPNAB-KRWDZBQOSA-N 1 2 345.834 2.408 20 30 EEEDLO N#Cc1cnn2cc(C[N@@H+]3CCO[C@@]4(CCc5ccccc54)C3)cnc12 ZINC000592500076 468712961 /nfs/dbraw/zinc/71/29/61/468712961.db2.gz QAUNXVPXNTXYAP-FQEVSTJZSA-N 1 2 345.406 2.275 20 30 EEEDLO N#Cc1cnn2cc(C[N@H+]3CCO[C@@]4(CCc5ccccc54)C3)cnc12 ZINC000592500076 468712963 /nfs/dbraw/zinc/71/29/63/468712963.db2.gz QAUNXVPXNTXYAP-FQEVSTJZSA-N 1 2 345.406 2.275 20 30 EEEDLO CC(C)(CC#N)Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000594887298 468716378 /nfs/dbraw/zinc/71/63/78/468716378.db2.gz KQHGGFBZYCNDSB-MRXNPFEDSA-N 1 2 340.431 2.186 20 30 EEEDLO CC(C)(CC#N)Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000594887298 468716382 /nfs/dbraw/zinc/71/63/82/468716382.db2.gz KQHGGFBZYCNDSB-MRXNPFEDSA-N 1 2 340.431 2.186 20 30 EEEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C/C=C/c2ccccc2)c1=O ZINC000571489401 468794200 /nfs/dbraw/zinc/79/42/00/468794200.db2.gz AWPXHRXAVLXHTI-QPJJXVBHSA-N 1 2 335.407 2.266 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCn2c[nH+]cc2C1 ZINC000595494615 468875076 /nfs/dbraw/zinc/87/50/76/468875076.db2.gz LAXVZCBJZKTCMR-CQSZACIVSA-N 1 2 341.390 2.173 20 30 EEEDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)n1 ZINC000595520939 468886716 /nfs/dbraw/zinc/88/67/16/468886716.db2.gz TVSMGWPONMCSCE-UHFFFAOYSA-N 1 2 345.447 2.000 20 30 EEEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000598593226 468926197 /nfs/dbraw/zinc/92/61/97/468926197.db2.gz QWBVXCYFEMUPKJ-INIZCTEOSA-N 1 2 349.862 2.285 20 30 EEEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000598593226 468926199 /nfs/dbraw/zinc/92/61/99/468926199.db2.gz QWBVXCYFEMUPKJ-INIZCTEOSA-N 1 2 349.862 2.285 20 30 EEEDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598624852 468937884 /nfs/dbraw/zinc/93/78/84/468937884.db2.gz IZTQUJODZRDCTN-GDBMZVCRSA-N 1 2 334.416 2.142 20 30 EEEDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598624852 468937888 /nfs/dbraw/zinc/93/78/88/468937888.db2.gz IZTQUJODZRDCTN-GDBMZVCRSA-N 1 2 334.416 2.142 20 30 EEEDLO N#C[C@H]1CC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000601617410 468938851 /nfs/dbraw/zinc/93/88/51/468938851.db2.gz MADYEUJAZGSFHC-DZGCQCFKSA-N 1 2 345.472 2.126 20 30 EEEDLO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CS(=O)(=O)c2ccccc21 ZINC000602666539 468997131 /nfs/dbraw/zinc/99/71/31/468997131.db2.gz KRMGIPYWFMJDKJ-ZFWWWQNUSA-N 1 2 334.441 2.204 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCOc1ccc(Cl)c(F)c1 ZINC000598836576 469019067 /nfs/dbraw/zinc/01/90/67/469019067.db2.gz NGGZQLDADYWNQA-HNNXBMFYSA-N 1 2 327.787 2.208 20 30 EEEDLO CN1CC[N@H+](Cc2cccc(C#N)c2F)C[C@H]1c1nc(C2CC2)no1 ZINC000585789802 469034500 /nfs/dbraw/zinc/03/45/00/469034500.db2.gz YWJAEINFGNAQCY-HNNXBMFYSA-N 1 2 341.390 2.446 20 30 EEEDLO CN1CC[N@@H+](Cc2cccc(C#N)c2F)C[C@H]1c1nc(C2CC2)no1 ZINC000585789802 469034509 /nfs/dbraw/zinc/03/45/09/469034509.db2.gz YWJAEINFGNAQCY-HNNXBMFYSA-N 1 2 341.390 2.446 20 30 EEEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000614924898 469096777 /nfs/dbraw/zinc/09/67/77/469096777.db2.gz OVTHMLQMFGDFOZ-KBPBESRZSA-N 1 2 335.370 2.084 20 30 EEEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000614924898 469096780 /nfs/dbraw/zinc/09/67/80/469096780.db2.gz OVTHMLQMFGDFOZ-KBPBESRZSA-N 1 2 335.370 2.084 20 30 EEEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2c(C#N)cnn2C)CC1 ZINC000596106723 469157389 /nfs/dbraw/zinc/15/73/89/469157389.db2.gz GVQFOEUKUORTHJ-LBPRGKRZSA-N 1 2 331.370 2.453 20 30 EEEDLO Cc1ccccc1C[C@@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000599230567 469172373 /nfs/dbraw/zinc/17/23/73/469172373.db2.gz QRPXAZRKXOPOFL-GOSISDBHSA-N 1 2 343.471 2.248 20 30 EEEDLO N#Cc1cc(O)cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000589158492 469203046 /nfs/dbraw/zinc/20/30/46/469203046.db2.gz XLNMHWWLORGJTI-UHFFFAOYSA-N 1 2 327.409 2.283 20 30 EEEDLO COCC[N@H+](CCC#N)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000611268726 469213848 /nfs/dbraw/zinc/21/38/48/469213848.db2.gz JXOZRIMOGFNAAQ-UHFFFAOYSA-N 1 2 328.372 2.167 20 30 EEEDLO COCC[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000611268726 469213853 /nfs/dbraw/zinc/21/38/53/469213853.db2.gz JXOZRIMOGFNAAQ-UHFFFAOYSA-N 1 2 328.372 2.167 20 30 EEEDLO N#CCN1CC[NH+](Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000611267985 469215107 /nfs/dbraw/zinc/21/51/07/469215107.db2.gz YRZUQZASLPDMPW-UHFFFAOYSA-N 1 2 329.835 2.226 20 30 EEEDLO N#Cc1ccncc1N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000611281227 469219178 /nfs/dbraw/zinc/21/91/78/469219178.db2.gz SJYDIFUABSIOSC-GOSISDBHSA-N 1 2 342.830 2.462 20 30 EEEDLO Cc1c(Cl)cnc(N(CC[NH+]2CCOCC2)CC2CC2)c1C#N ZINC000596513781 469288965 /nfs/dbraw/zinc/28/89/65/469288965.db2.gz FECJLUCYEAXMKO-UHFFFAOYSA-N 1 2 334.851 2.464 20 30 EEEDLO CO[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC000596658998 469324371 /nfs/dbraw/zinc/32/43/71/469324371.db2.gz RGOSAPXQGFPKPT-GOSISDBHSA-N 1 2 327.428 2.018 20 30 EEEDLO N#Cc1ccc(NCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000604445364 469480030 /nfs/dbraw/zinc/48/00/30/469480030.db2.gz ZJNUUYVJKYMKGK-UHFFFAOYSA-N 1 2 340.452 2.376 20 30 EEEDLO CCn1nc(C)cc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000604574313 469496689 /nfs/dbraw/zinc/49/66/89/469496689.db2.gz GKBGPNRRRTXYCW-UHFFFAOYSA-N 1 2 337.427 2.041 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000619717937 469669819 /nfs/dbraw/zinc/66/98/19/469669819.db2.gz AQBXDTRRBVRCQJ-DGCLKSJQSA-N 1 2 347.333 2.105 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000619717937 469669823 /nfs/dbraw/zinc/66/98/23/469669823.db2.gz AQBXDTRRBVRCQJ-DGCLKSJQSA-N 1 2 347.333 2.105 20 30 EEEDLO N#Cc1ccccc1N1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000609163470 469898346 /nfs/dbraw/zinc/89/83/46/469898346.db2.gz NDWNNFXHXMJQOW-UHFFFAOYSA-N 1 2 337.427 2.274 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)N(C)c2ccccc2)CC1 ZINC000609537675 469937337 /nfs/dbraw/zinc/93/73/37/469937337.db2.gz BWRQBOZKUNBUHD-SJLPKXTDSA-N 1 2 328.460 2.204 20 30 EEEDLO C=CC(C)(C)CCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000625609855 470166576 /nfs/dbraw/zinc/16/65/76/470166576.db2.gz LFWCPTCUYVAYOG-UHFFFAOYSA-N 1 2 343.471 2.049 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000649014742 470432687 /nfs/dbraw/zinc/43/26/87/470432687.db2.gz RQTJRKDDRCDXEI-ZACQAIPSSA-N 1 2 325.412 2.411 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000642098451 470523813 /nfs/dbraw/zinc/52/38/13/470523813.db2.gz PUYBBUCLVGRCJP-MRXNPFEDSA-N 1 2 337.508 2.380 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(F)cc2Br)nn1 ZINC000640899861 471105456 /nfs/dbraw/zinc/10/54/56/471105456.db2.gz VOVLWOSTPBXEFE-UHFFFAOYSA-N 1 2 337.196 2.341 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C(C)C)cc(=O)c2O)C1=O ZINC000663834422 471540311 /nfs/dbraw/zinc/54/03/11/471540311.db2.gz SKYPUAMWGIEEMW-MRXNPFEDSA-N 1 2 330.428 2.095 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(C(C)C)cc(=O)c2O)C1=O ZINC000663834422 471540319 /nfs/dbraw/zinc/54/03/19/471540319.db2.gz SKYPUAMWGIEEMW-MRXNPFEDSA-N 1 2 330.428 2.095 20 30 EEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661326324 471716578 /nfs/dbraw/zinc/71/65/78/471716578.db2.gz PZRFXDODFXJHGB-RBUKOAKNSA-N 1 2 343.471 2.290 20 30 EEEDLO C=CC[N@@H+](CC(=O)N(CCCC)[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000661754809 471874424 /nfs/dbraw/zinc/87/44/24/471874424.db2.gz BUJRHTLEONHCEZ-OAHLLOKOSA-N 1 2 344.521 2.089 20 30 EEEDLO C=CC[N@H+](CC(=O)N(CCCC)[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000661754809 471874428 /nfs/dbraw/zinc/87/44/28/471874428.db2.gz BUJRHTLEONHCEZ-OAHLLOKOSA-N 1 2 344.521 2.089 20 30 EEEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000665615057 472111678 /nfs/dbraw/zinc/11/16/78/472111678.db2.gz ZGFWUQROOORMOK-MRXNPFEDSA-N 1 2 342.361 2.287 20 30 EEEDLO C=C[C@@H](O)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000668573744 472179347 /nfs/dbraw/zinc/17/93/47/472179347.db2.gz HUYAZAQELRBRDJ-DZGCQCFKSA-N 1 2 326.799 2.107 20 30 EEEDLO C=C[C@@H](O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000668573744 472179353 /nfs/dbraw/zinc/17/93/53/472179353.db2.gz HUYAZAQELRBRDJ-DZGCQCFKSA-N 1 2 326.799 2.107 20 30 EEEDLO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1cc(F)ccc1C#N ZINC000496197552 534886495 /nfs/dbraw/zinc/88/64/95/534886495.db2.gz DHWVYYMNJWPZHH-UHFFFAOYSA-N 1 2 337.395 2.016 20 30 EEEDLO CC(C)(C)OC(=O)NCC[N@@H+](CCO)Cc1cc(F)ccc1C#N ZINC000496197552 534886496 /nfs/dbraw/zinc/88/64/96/534886496.db2.gz DHWVYYMNJWPZHH-UHFFFAOYSA-N 1 2 337.395 2.016 20 30 EEEDLO C#CCOc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000369663473 527097436 /nfs/dbraw/zinc/09/74/36/527097436.db2.gz ALHWXLNSBYZQKM-UHFFFAOYSA-N 1 2 332.363 2.209 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](c1nc(C)no1)C1CCOCC1 ZINC000370174666 527628619 /nfs/dbraw/zinc/62/86/19/527628619.db2.gz QLRLAISEKYJWMQ-CZUORRHYSA-N 1 2 348.447 2.024 20 30 EEEDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093049705 529266336 /nfs/dbraw/zinc/26/63/36/529266336.db2.gz NZWQNHXHYMLPBP-QGZVFWFLSA-N 1 2 337.427 2.174 20 30 EEEDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093049705 529266338 /nfs/dbraw/zinc/26/63/38/529266338.db2.gz NZWQNHXHYMLPBP-QGZVFWFLSA-N 1 2 337.427 2.174 20 30 EEEDLO CN1CC[C@H]([N@H+](C)CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C1=O ZINC000738333200 578009898 /nfs/dbraw/zinc/00/98/98/578009898.db2.gz SDOQCUWSLNZSEI-BOFQVRIASA-N 1 2 341.455 2.030 20 30 EEEDLO CN1CC[C@H]([N@@H+](C)CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C1=O ZINC000738333200 578009899 /nfs/dbraw/zinc/00/98/99/578009899.db2.gz SDOQCUWSLNZSEI-BOFQVRIASA-N 1 2 341.455 2.030 20 30 EEEDLO CCN(CC)c1ncc(C=[NH+]Nc2cc(Cl)nc(N)n2)s1 ZINC000778545732 575974393 /nfs/dbraw/zinc/97/43/93/575974393.db2.gz ZFWHTSGXUOVUHP-UHFFFAOYSA-N 1 2 325.829 2.461 20 30 EEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726252561 576249300 /nfs/dbraw/zinc/24/93/00/576249300.db2.gz ISYHVZVBJVDPGP-CQSZACIVSA-N 1 2 346.431 2.188 20 30 EEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726252561 576249303 /nfs/dbraw/zinc/24/93/03/576249303.db2.gz ISYHVZVBJVDPGP-CQSZACIVSA-N 1 2 346.431 2.188 20 30 EEEDLO N#CCN(C(=O)COC(=O)c1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000731908411 577132231 /nfs/dbraw/zinc/13/22/31/577132231.db2.gz STUVEBHQTGUHQI-UHFFFAOYSA-N 1 2 334.335 2.048 20 30 EEEDLO C=CC[N@H+](CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O)C1CC1 ZINC000771638638 577223078 /nfs/dbraw/zinc/22/30/78/577223078.db2.gz CYDGGTSLJDOIBJ-IBGZPJMESA-N 1 2 325.412 2.074 20 30 EEEDLO C=CC[N@@H+](CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O)C1CC1 ZINC000771638638 577223079 /nfs/dbraw/zinc/22/30/79/577223079.db2.gz CYDGGTSLJDOIBJ-IBGZPJMESA-N 1 2 325.412 2.074 20 30 EEEDLO C=CC[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccncc1 ZINC000734654228 577316290 /nfs/dbraw/zinc/31/62/90/577316290.db2.gz RFCVWBGQYKCJEU-INIZCTEOSA-N 1 2 332.448 2.109 20 30 EEEDLO C=CCNC(=S)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000765518075 577502394 /nfs/dbraw/zinc/50/23/94/577502394.db2.gz KJNZJUWERQOECA-GJZGRUSLSA-N 1 2 339.892 2.362 20 30 EEEDLO C=CCNC(=S)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000765518075 577502395 /nfs/dbraw/zinc/50/23/95/577502395.db2.gz KJNZJUWERQOECA-GJZGRUSLSA-N 1 2 339.892 2.362 20 30 EEEDLO Cc1c(-c2cc(CO[NH+]=C(N)c3ccc(F)cc3)on2)cnn1C ZINC000767071708 577530249 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C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2Cc3cccc(C)c3O2)C1 ZINC000971000895 676307009 /nfs/dbraw/zinc/30/70/09/676307009.db2.gz VVSBHCBNFAWKNR-CZUORRHYSA-N 1 2 334.847 2.488 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC000971142579 676409490 /nfs/dbraw/zinc/40/94/90/676409490.db2.gz NESNZZZFLBPQDK-OAHLLOKOSA-N 1 2 328.347 2.032 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC000971142579 676409491 /nfs/dbraw/zinc/40/94/91/676409491.db2.gz NESNZZZFLBPQDK-OAHLLOKOSA-N 1 2 328.347 2.032 20 30 EEEDLO C[N@H+](Cc1ccncc1Cl)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971370963 676507987 /nfs/dbraw/zinc/50/79/87/676507987.db2.gz AIYZRROLQAOUEB-HNNXBMFYSA-N 1 2 343.818 2.281 20 30 EEEDLO C[N@@H+](Cc1ccncc1Cl)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971370963 676507988 /nfs/dbraw/zinc/50/79/88/676507988.db2.gz AIYZRROLQAOUEB-HNNXBMFYSA-N 1 2 343.818 2.281 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2coc(CC)n2)C1 ZINC000971384633 676512864 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EEEDLO Cc1cc(C[N@H+]2CCO[C@@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)cs1 ZINC000972299211 678512553 /nfs/dbraw/zinc/51/25/53/678512553.db2.gz YYJMPHJSRHLJRV-DYVFJYSZSA-N 1 2 333.457 2.020 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)noc3C(C)C)C2)C1 ZINC000972422614 678716361 /nfs/dbraw/zinc/71/63/61/678716361.db2.gz PVZJLFFUXZSZPC-SFHVURJKSA-N 1 2 333.432 2.209 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)noc3C(C)C)C2)C1 ZINC000972422614 678716367 /nfs/dbraw/zinc/71/63/67/678716367.db2.gz PVZJLFFUXZSZPC-SFHVURJKSA-N 1 2 333.432 2.209 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cccc(OC)c3)C2)C1 ZINC000972462972 678798101 /nfs/dbraw/zinc/79/81/01/678798101.db2.gz NCKPFJDMDZVXFN-FQEVSTJZSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cccc(OC)c3)C2)C1 ZINC000972462972 678798106 /nfs/dbraw/zinc/79/81/06/678798106.db2.gz NCKPFJDMDZVXFN-FQEVSTJZSA-N 1 2 344.455 2.117 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cccc(C)c3Cl)C2)C1 ZINC000972463379 678799413 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30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3coc(C4CCC4)n3)C2)C1 ZINC000972628021 679453421 /nfs/dbraw/zinc/45/34/21/679453421.db2.gz LTCDHWXFEBNPAB-GOSISDBHSA-N 1 2 331.416 2.045 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3coc(C4CCC4)n3)C2)C1 ZINC000972628021 679453422 /nfs/dbraw/zinc/45/34/22/679453422.db2.gz LTCDHWXFEBNPAB-GOSISDBHSA-N 1 2 331.416 2.045 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccccc3Cl)C2)C1 ZINC000972665214 679542923 /nfs/dbraw/zinc/54/29/23/679542923.db2.gz WLFCWLJFDKKDMK-LJQANCHMSA-N 1 2 346.858 2.209 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccccc3Cl)C2)C1 ZINC000972665214 679542927 /nfs/dbraw/zinc/54/29/27/679542927.db2.gz WLFCWLJFDKKDMK-LJQANCHMSA-N 1 2 346.858 2.209 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cncc4ccccc43)C2)C1 ZINC000972686685 679601700 /nfs/dbraw/zinc/60/17/00/679601700.db2.gz BOHUVIKJGAZIAH-FQEVSTJZSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cncc4ccccc43)C2)C1 ZINC000972686685 679601703 /nfs/dbraw/zinc/60/17/03/679601703.db2.gz BOHUVIKJGAZIAH-FQEVSTJZSA-N 1 2 337.423 2.338 20 30 EEEDLO Cc1ncncc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024339490 679876988 /nfs/dbraw/zinc/87/69/88/679876988.db2.gz JZKYXKFLZMTUJP-SFHVURJKSA-N 1 2 349.438 2.441 20 30 EEEDLO Cc1ncncc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024339490 679876989 /nfs/dbraw/zinc/87/69/89/679876989.db2.gz JZKYXKFLZMTUJP-SFHVURJKSA-N 1 2 349.438 2.441 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CC(OC)C1 ZINC001024495429 679980478 /nfs/dbraw/zinc/98/04/78/679980478.db2.gz KNTRHHBWUKTLOS-ROKHWSDSSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC(OC)C1 ZINC001024495429 679980486 /nfs/dbraw/zinc/98/04/86/679980486.db2.gz KNTRHHBWUKTLOS-ROKHWSDSSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCn2nccc21 ZINC001024515483 680018648 /nfs/dbraw/zinc/01/86/48/680018648.db2.gz TXVLGNCRFJGZST-GJZGRUSLSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCn2nccc21 ZINC001024515483 680018655 /nfs/dbraw/zinc/01/86/55/680018655.db2.gz TXVLGNCRFJGZST-GJZGRUSLSA-N 1 2 336.867 2.484 20 30 EEEDLO C=CCOC[C@H]([NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)C(=O)OC ZINC000894192773 681203400 /nfs/dbraw/zinc/20/34/00/681203400.db2.gz PIBVQAWRVGAXPW-ULQDDVLXSA-N 1 2 325.449 2.306 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001024661098 681324869 /nfs/dbraw/zinc/32/48/69/681324869.db2.gz YYCCGVWHKRLURD-RRFJBIMHSA-N 1 2 336.867 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001024661098 681324872 /nfs/dbraw/zinc/32/48/72/681324872.db2.gz YYCCGVWHKRLURD-RRFJBIMHSA-N 1 2 336.867 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccnc1N(C)C ZINC001024798742 681447337 /nfs/dbraw/zinc/44/73/37/681447337.db2.gz ZDTVBOVLQDYWDI-CQSZACIVSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccnc1N(C)C ZINC001024798742 681447339 /nfs/dbraw/zinc/44/73/39/681447339.db2.gz ZDTVBOVLQDYWDI-CQSZACIVSA-N 1 2 336.867 2.484 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C/C(Cl)=C/Cl)C2)[nH]1 ZINC001028487379 681603275 /nfs/dbraw/zinc/60/32/75/681603275.db2.gz WEGDIHCOTNAALE-QIMWGGGBSA-N 1 2 327.215 2.257 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C/C(Cl)=C/Cl)C2)[nH]1 ZINC001028487379 681603279 /nfs/dbraw/zinc/60/32/79/681603279.db2.gz WEGDIHCOTNAALE-QIMWGGGBSA-N 1 2 327.215 2.257 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnsn1 ZINC001024982944 681668879 /nfs/dbraw/zinc/66/88/79/681668879.db2.gz GMPQIZBIYQPXQY-OAHLLOKOSA-N 1 2 345.472 2.310 20 30 EEEDLO N#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001025250903 682328952 /nfs/dbraw/zinc/32/89/52/682328952.db2.gz ONNOSZNLIULPPB-JKSUJKDBSA-N 1 2 337.427 2.317 20 30 EEEDLO CCO[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029219807 683563190 /nfs/dbraw/zinc/56/31/90/683563190.db2.gz IQQCTSRDOMDGLR-GFOFROLCSA-N 1 2 345.468 2.220 20 30 EEEDLO CCO[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029219807 683563193 /nfs/dbraw/zinc/56/31/93/683563193.db2.gz IQQCTSRDOMDGLR-GFOFROLCSA-N 1 2 345.468 2.220 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](F)C1 ZINC001025978580 683703113 /nfs/dbraw/zinc/70/31/13/683703113.db2.gz ORMTXHRZFQJTHS-OBPIAQAESA-N 1 2 331.229 2.080 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](F)C1 ZINC001025978580 683703118 /nfs/dbraw/zinc/70/31/18/683703118.db2.gz ORMTXHRZFQJTHS-OBPIAQAESA-N 1 2 331.229 2.080 20 30 EEEDLO Cc1cc(C)c(C(=O)NC[C@@H]2CCCCN2C(=O)[C@H](C)C#N)c(C)[nH+]1 ZINC000937467095 683708354 /nfs/dbraw/zinc/70/83/54/683708354.db2.gz MGSQIMQGSGZDCE-CJNGLKHVSA-N 1 2 342.443 2.277 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)[C@@H](C)c3ncccn3)C2)nc1 ZINC001027656331 693813100 /nfs/dbraw/zinc/81/31/00/693813100.db2.gz NNYCNIZAEIDSSJ-DOTOQJQBSA-N 1 2 349.438 2.151 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H](C)c3ncccn3)C2)nc1 ZINC001027656331 693813105 /nfs/dbraw/zinc/81/31/05/693813105.db2.gz NNYCNIZAEIDSSJ-DOTOQJQBSA-N 1 2 349.438 2.151 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H](CN(C)c3cc[nH+]c(C)n3)C2)nc1 ZINC001058693471 684083788 /nfs/dbraw/zinc/08/37/88/684083788.db2.gz KZCUEZIGJIZWCP-QGZVFWFLSA-N 1 2 349.438 2.150 20 30 EEEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1c(C#N)cnn1-c1ccccc1 ZINC000895800381 684730243 /nfs/dbraw/zinc/73/02/43/684730243.db2.gz BPQSULNPYYJVEH-INIZCTEOSA-N 1 2 325.416 2.267 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2c(C)nnn2CC)C1 ZINC001029466628 684840006 /nfs/dbraw/zinc/84/00/06/684840006.db2.gz VNSQXKWAXDXTMZ-IYBDPMFKSA-N 1 2 343.475 2.138 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2c(C)nnn2CC)C1 ZINC001029466628 684840008 /nfs/dbraw/zinc/84/00/08/684840008.db2.gz VNSQXKWAXDXTMZ-IYBDPMFKSA-N 1 2 343.475 2.138 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)c1 ZINC001059409397 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ZINC001027368931 687734494 /nfs/dbraw/zinc/73/44/94/687734494.db2.gz UFCAIGFJTMKHRQ-KBPBESRZSA-N 1 2 345.281 2.387 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)[C@@H]1C ZINC000987311229 689593651 /nfs/dbraw/zinc/59/36/51/689593651.db2.gz OZMLAMKGNQZVLQ-IUODEOHRSA-N 1 2 345.834 2.417 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059819539 689930778 /nfs/dbraw/zinc/93/07/78/689930778.db2.gz KWEVGISDQJERIV-CVEARBPZSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059819539 689930783 /nfs/dbraw/zinc/93/07/83/689930783.db2.gz KWEVGISDQJERIV-CVEARBPZSA-N 1 2 346.475 2.299 20 30 EEEDLO C=CCCC(=O)NCC[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001059854125 690289635 /nfs/dbraw/zinc/28/96/35/690289635.db2.gz ANHRWGFZMCEZGP-MRXNPFEDSA-N 1 2 346.475 2.248 20 30 EEEDLO C#CCOc1ncccc1C(=O)N[C@H]1C[N@@H+](CC(=C)Cl)CC1(C)C ZINC000977493328 692681582 /nfs/dbraw/zinc/68/15/82/692681582.db2.gz 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CCN(C(=O)c1cc[nH]n1)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033765396 1195230400 /nfs/dbraw/zinc/23/04/00/1195230400.db2.gz RBNDHWILYHJGLY-QGZVFWFLSA-N 1 2 340.402 2.137 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001033805795 1195312340 /nfs/dbraw/zinc/31/23/40/1195312340.db2.gz JBASRODGGKDFLH-OAHLLOKOSA-N 1 2 343.456 2.388 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001033805795 1195312345 /nfs/dbraw/zinc/31/23/45/1195312345.db2.gz JBASRODGGKDFLH-OAHLLOKOSA-N 1 2 343.456 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnn(CCF)c2)C1 ZINC001033878395 1195417427 /nfs/dbraw/zinc/41/74/27/1195417427.db2.gz JTRKLHLUVSZMGS-AWEZNQCLSA-N 1 2 328.819 2.142 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn(CCF)c2)C1 ZINC001033878395 1195417429 /nfs/dbraw/zinc/41/74/29/1195417429.db2.gz JTRKLHLUVSZMGS-AWEZNQCLSA-N 1 2 328.819 2.142 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(COC)on2)C1 ZINC001033982818 1195602310 /nfs/dbraw/zinc/60/23/10/1195602310.db2.gz WOYUBBDQEFQPJQ-GFCCVEGCSA-N 1 2 327.812 2.110 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2Cc3cccnc3C2)C1 ZINC001034026529 1195654132 /nfs/dbraw/zinc/65/41/32/1195654132.db2.gz RWQXRXZBOHOWCD-JKSUJKDBSA-N 1 2 333.863 2.472 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2Cc3cccnc3C2)C1 ZINC001034026529 1195654135 /nfs/dbraw/zinc/65/41/35/1195654135.db2.gz RWQXRXZBOHOWCD-JKSUJKDBSA-N 1 2 333.863 2.472 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H](NC(=O)c3cocn3)C2)c1 ZINC001034141055 1195814999 /nfs/dbraw/zinc/81/49/99/1195814999.db2.gz GBIFONLSPNAYMA-HNNXBMFYSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H](NC(=O)c3cocn3)C2)c1 ZINC001034141055 1195815001 /nfs/dbraw/zinc/81/50/01/1195815001.db2.gz GBIFONLSPNAYMA-HNNXBMFYSA-N 1 2 342.374 2.470 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnn3c2OCCC3)C1 ZINC001034287783 1196050448 /nfs/dbraw/zinc/05/04/48/1196050448.db2.gz ACQXJNKSHTXTRS-CYBMUJFWSA-N 1 2 338.839 2.002 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnn3c2OCCC3)C1 ZINC001034287783 1196050451 /nfs/dbraw/zinc/05/04/51/1196050451.db2.gz ACQXJNKSHTXTRS-CYBMUJFWSA-N 1 2 338.839 2.002 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnc(Cl)n2C)C1 ZINC001034308053 1196076336 /nfs/dbraw/zinc/07/63/36/1196076336.db2.gz SJLRMHWOLQXUBM-NSHDSACASA-N 1 2 331.247 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnc(Cl)n2C)C1 ZINC001034308053 1196076338 /nfs/dbraw/zinc/07/63/38/1196076338.db2.gz SJLRMHWOLQXUBM-NSHDSACASA-N 1 2 331.247 2.410 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+](Cc3cn(CC)nn3)C2)C1 ZINC001034390037 1196176956 /nfs/dbraw/zinc/17/69/56/1196176956.db2.gz WYSKTMYMXDKHCG-OAHLLOKOSA-N 1 2 331.464 2.125 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+](Cc3cn(CC)nn3)C2)C1 ZINC001034390037 1196176959 /nfs/dbraw/zinc/17/69/59/1196176959.db2.gz WYSKTMYMXDKHCG-OAHLLOKOSA-N 1 2 331.464 2.125 20 30 EEEDLO C=C(C)CCC(=O)N(C)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001078976121 1196539261 /nfs/dbraw/zinc/53/92/61/1196539261.db2.gz QGAFRRGFKLLGDB-MRXNPFEDSA-N 1 2 346.475 2.158 20 30 EEEDLO CC1(C)CC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]2O)C1 ZINC001090244182 1196565888 /nfs/dbraw/zinc/56/58/88/1196565888.db2.gz KSRVHHVWQKGGNT-QZTJIDSGSA-N 1 2 341.455 2.046 20 30 EEEDLO CC1(C)CC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]2O)C1 ZINC001090244182 1196565892 /nfs/dbraw/zinc/56/58/92/1196565892.db2.gz KSRVHHVWQKGGNT-QZTJIDSGSA-N 1 2 341.455 2.046 20 30 EEEDLO N#Cc1cccc(S(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000864628128 1197850620 /nfs/dbraw/zinc/85/06/20/1197850620.db2.gz BRDOFRFIMQCCBI-UHFFFAOYSA-N 1 2 342.424 2.218 20 30 EEEDLO C#CC[C@@H](CCOC)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000863780615 1197867098 /nfs/dbraw/zinc/86/70/98/1197867098.db2.gz FEYKYEVPDMUMRE-IRXDYDNUSA-N 1 2 325.412 2.476 20 30 EEEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3F)C2)OCC1=O ZINC001273290944 1197960919 /nfs/dbraw/zinc/96/09/19/1197960919.db2.gz KTRDMUHIPCLNBM-KRWDZBQOSA-N 1 2 338.810 2.468 20 30 EEEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3cccc(Cl)c3F)C2)OCC1=O ZINC001273290944 1197960925 /nfs/dbraw/zinc/96/09/25/1197960925.db2.gz KTRDMUHIPCLNBM-KRWDZBQOSA-N 1 2 338.810 2.468 20 30 EEEDLO Fc1cc(NN=Cc2ccc(OCC[NH+]3CCOCC3)cc2)ccn1 ZINC000872363920 1198157337 /nfs/dbraw/zinc/15/73/37/1198157337.db2.gz WTQBZPFPVWEAGO-UHFFFAOYSA-N 1 2 344.390 2.378 20 30 EEEDLO CC(=[NH+][N-]c1cc(C)[nH+]c(N)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000872420505 1198176082 /nfs/dbraw/zinc/17/60/82/1198176082.db2.gz QIOVMCBFTUQTPV-UHFFFAOYSA-N 1 2 344.394 2.179 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cc(F)c(OC)c(F)c2)C1=O ZINC001273327177 1198186897 /nfs/dbraw/zinc/18/68/97/1198186897.db2.gz QUJMYMLEYAMVQY-GOSISDBHSA-N 1 2 334.366 2.174 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)c(OC)c(F)c2)C1=O ZINC001273327177 1198186899 /nfs/dbraw/zinc/18/68/99/1198186899.db2.gz QUJMYMLEYAMVQY-GOSISDBHSA-N 1 2 334.366 2.174 20 30 EEEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Cl)nn1)CC2 ZINC001273346343 1198262464 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1199247538 /nfs/dbraw/zinc/24/75/38/1199247538.db2.gz AVIKHHBULRTTRX-UKRRQHHQSA-N 1 2 341.883 2.014 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COCc2cc(C)no2)CC[C@@H]1C ZINC001132128245 1199335052 /nfs/dbraw/zinc/33/50/52/1199335052.db2.gz KEAXABFKHGFGBB-KBPBESRZSA-N 1 2 341.839 2.221 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COCc2cc(C)no2)CC[C@@H]1C ZINC001132128245 1199335054 /nfs/dbraw/zinc/33/50/54/1199335054.db2.gz KEAXABFKHGFGBB-KBPBESRZSA-N 1 2 341.839 2.221 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)NCC3CC3)C2)CCC1 ZINC001132281199 1199514474 /nfs/dbraw/zinc/51/44/74/1199514474.db2.gz ABXNCFYEBVRCCL-RDJZCZTQSA-N 1 2 347.503 2.228 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)NCC3CC3)C2)CCC1 ZINC001132281199 1199514480 /nfs/dbraw/zinc/51/44/80/1199514480.db2.gz ABXNCFYEBVRCCL-RDJZCZTQSA-N 1 2 347.503 2.228 20 30 EEEDLO CCOC(=O)n1nc2c(c1Nc1cc(C#N)ccn1)C[NH2+]C2(C)C ZINC001170754612 1199629707 /nfs/dbraw/zinc/62/97/07/1199629707.db2.gz 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/nfs/dbraw/zinc/71/13/77/1223711377.db2.gz GGOJPTTZMSKAHQ-AWEZNQCLSA-N 1 2 342.349 2.236 20 30 EEEDLO Cc1cccnc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010482500 1223741898 /nfs/dbraw/zinc/74/18/98/1223741898.db2.gz NAZZKABRPZTORB-SFHVURJKSA-N 1 2 337.398 2.385 20 30 EEEDLO Cc1cccnc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010482500 1223741900 /nfs/dbraw/zinc/74/19/00/1223741900.db2.gz NAZZKABRPZTORB-SFHVURJKSA-N 1 2 337.398 2.385 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3cncc(F)c3)C2)ccc1F ZINC001010535850 1223770766 /nfs/dbraw/zinc/77/07/66/1223770766.db2.gz NMVRUPIYOCOLRK-INIZCTEOSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)c3cncc(F)c3)C2)ccc1F ZINC001010535850 1223770768 /nfs/dbraw/zinc/77/07/68/1223770768.db2.gz NMVRUPIYOCOLRK-INIZCTEOSA-N 1 2 342.349 2.236 20 30 EEEDLO Cc1ccc(C#N)cc1C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000827775859 1248708329 /nfs/dbraw/zinc/70/83/29/1248708329.db2.gz USTMRUCTSBOQMO-UHFFFAOYSA-N 1 2 334.423 2.262 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(F)cn3)C2)c(F)c1 ZINC001010719754 1223869276 /nfs/dbraw/zinc/86/92/76/1223869276.db2.gz STKHRLDLMFROBH-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(F)cn3)C2)c(F)c1 ZINC001010719754 1223869278 /nfs/dbraw/zinc/86/92/78/1223869278.db2.gz STKHRLDLMFROBH-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO Cc1cnccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010867751 1223948064 /nfs/dbraw/zinc/94/80/64/1223948064.db2.gz CXWOOTAEAQEWRQ-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cnccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010867751 1223948065 /nfs/dbraw/zinc/94/80/65/1223948065.db2.gz CXWOOTAEAQEWRQ-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC23CC[NH+](Cc2nncn2C)CC3)CC1 ZINC001016803059 1226890656 /nfs/dbraw/zinc/89/06/56/1226890656.db2.gz MWPJSTAMVOGUEB-MRXNPFEDSA-N 1 2 343.475 2.032 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001017633472 1227586041 /nfs/dbraw/zinc/58/60/41/1227586041.db2.gz CUIRMJZVBNQICZ-LJISPDSOSA-N 1 2 344.377 2.185 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001017633472 1227586044 /nfs/dbraw/zinc/58/60/44/1227586044.db2.gz CUIRMJZVBNQICZ-LJISPDSOSA-N 1 2 344.377 2.185 20 30 EEEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(Cl)cc1 ZINC001017711767 1227665538 /nfs/dbraw/zinc/66/55/38/1227665538.db2.gz WUTLNSOUSIEWRE-GASCZTMLSA-N 1 2 333.819 2.140 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(Cl)cc1 ZINC001017711767 1227665543 /nfs/dbraw/zinc/66/55/43/1227665543.db2.gz WUTLNSOUSIEWRE-GASCZTMLSA-N 1 2 333.819 2.140 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2ccc(F)cc2O1 ZINC001017734638 1227688009 /nfs/dbraw/zinc/68/80/09/1227688009.db2.gz XKBVVERMOIGCQY-KSZLIROESA-N 1 2 342.414 2.218 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2ccc(F)cc2O1 ZINC001017734638 1227688014 /nfs/dbraw/zinc/68/80/14/1227688014.db2.gz XKBVVERMOIGCQY-KSZLIROESA-N 1 2 342.414 2.218 20 30 EEEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)[nH]nc1C(F)(F)F ZINC001017739801 1227692040 /nfs/dbraw/zinc/69/20/40/1227692040.db2.gz QKVKVWCZILBELC-PHIMTYICSA-N 1 2 328.338 2.212 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)[nH]nc1C(F)(F)F ZINC001017739801 1227692044 /nfs/dbraw/zinc/69/20/44/1227692044.db2.gz QKVKVWCZILBELC-PHIMTYICSA-N 1 2 328.338 2.212 20 30 EEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(Cc2cccnc2)CC1=O ZINC000119258255 1229478137 /nfs/dbraw/zinc/47/81/37/1229478137.db2.gz DRLPBOMYGSTFBL-UHFFFAOYSA-N 1 2 333.395 2.241 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cnc3ccccn23)c1 ZINC001038435797 1229818378 /nfs/dbraw/zinc/81/83/78/1229818378.db2.gz CIMDKWVMHKDUOQ-QGZVFWFLSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cnc3ccccn23)c1 ZINC001038435797 1229818382 /nfs/dbraw/zinc/81/83/82/1229818382.db2.gz CIMDKWVMHKDUOQ-QGZVFWFLSA-N 1 2 345.406 2.210 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1F ZINC001038808647 1230072467 /nfs/dbraw/zinc/07/24/67/1230072467.db2.gz SBJQYNOPZQCPJJ-RYRKJORJSA-N 1 2 332.419 2.497 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1F ZINC001038808647 1230072470 /nfs/dbraw/zinc/07/24/70/1230072470.db2.gz SBJQYNOPZQCPJJ-RYRKJORJSA-N 1 2 332.419 2.497 20 30 EEEDLO CC1(Nc2ccc(C#N)nc2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001067282876 1230286698 /nfs/dbraw/zinc/28/66/98/1230286698.db2.gz QSGZCUBORJNNFV-UHFFFAOYSA-N 1 2 338.415 2.033 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@@H]1[C@@H]1CC[N@H+](Cc2csnn2)C1 ZINC001039200176 1230427221 /nfs/dbraw/zinc/42/72/21/1230427221.db2.gz HRDMYTDFXKTZPH-NVXWUHKLSA-N 1 2 344.484 2.155 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@@H]1[C@@H]1CC[N@@H+](Cc2csnn2)C1 ZINC001039200176 1230427222 /nfs/dbraw/zinc/42/72/22/1230427222.db2.gz HRDMYTDFXKTZPH-NVXWUHKLSA-N 1 2 344.484 2.155 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2ccncc12 ZINC001039386112 1230570878 /nfs/dbraw/zinc/57/08/78/1230570878.db2.gz YENVBKUBTSMRCN-KGLIPLIRSA-N 1 2 345.834 2.161 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2ccncc12 ZINC001039386112 1230570882 /nfs/dbraw/zinc/57/08/82/1230570882.db2.gz YENVBKUBTSMRCN-KGLIPLIRSA-N 1 2 345.834 2.161 20 30 EEEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC(=C)Cl)C2 ZINC001040245327 1231130590 /nfs/dbraw/zinc/13/05/90/1231130590.db2.gz RVGXCJKGZQHHTR-PKOBYXMFSA-N 1 2 349.906 2.151 20 30 EEEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC(=C)Cl)C2 ZINC001040245327 1231130592 /nfs/dbraw/zinc/13/05/92/1231130592.db2.gz RVGXCJKGZQHHTR-PKOBYXMFSA-N 1 2 349.906 2.151 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3cc[nH+]c(C)n3)C23CCC3)nc1 ZINC001041593886 1231614475 /nfs/dbraw/zinc/61/44/75/1231614475.db2.gz CGRHQDAABFKYLL-IRXDYDNUSA-N 1 2 347.422 2.314 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(OC)ns3)C[C@@H]21 ZINC001042064198 1231862789 /nfs/dbraw/zinc/86/27/89/1231862789.db2.gz FAECDQHRZDTZKF-NEPJUHHUSA-N 1 2 341.864 2.441 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(OC)ns3)C[C@@H]21 ZINC001042064198 1231862792 /nfs/dbraw/zinc/86/27/92/1231862792.db2.gz FAECDQHRZDTZKF-NEPJUHHUSA-N 1 2 341.864 2.441 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccccc3)C[C@H]21 ZINC001042136835 1231912365 /nfs/dbraw/zinc/91/23/65/1231912365.db2.gz XABOGYQZALTDII-GOEBONIOSA-N 1 2 347.846 2.300 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccccc3)C[C@H]21 ZINC001042136835 1231912368 /nfs/dbraw/zinc/91/23/68/1231912368.db2.gz XABOGYQZALTDII-GOEBONIOSA-N 1 2 347.846 2.300 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](Cc4ncccn4)[C@H]3C2)cc1 ZINC001042180776 1231940400 /nfs/dbraw/zinc/94/04/00/1231940400.db2.gz YAYOMWOKWBBHAW-HKUYNNGSSA-N 1 2 346.434 2.195 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4ncccn4)[C@H]3C2)cc1 ZINC001042180776 1231940403 /nfs/dbraw/zinc/94/04/03/1231940403.db2.gz YAYOMWOKWBBHAW-HKUYNNGSSA-N 1 2 346.434 2.195 20 30 EEEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001042638241 1232126720 /nfs/dbraw/zinc/12/67/20/1232126720.db2.gz GALNNBPHIJSQOJ-NSHDSACASA-N 1 2 341.242 2.226 20 30 EEEDLO C=CCCn1cc(C(=O)N(C)C2C[NH+]([C@@H](C)c3ccccc3)C2)nn1 ZINC001044030374 1232680497 /nfs/dbraw/zinc/68/04/97/1232680497.db2.gz ZTKMYXLTNJWRAX-HNNXBMFYSA-N 1 2 339.443 2.372 20 30 EEEDLO CCN(CCCNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(C#N)nc1 ZINC001095973388 1232843366 /nfs/dbraw/zinc/84/33/66/1232843366.db2.gz XAFMKUYWKYFPEL-HNNXBMFYSA-N 1 2 340.431 2.134 20 30 EEEDLO COCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1Cl ZINC001045691402 1233911059 /nfs/dbraw/zinc/91/10/59/1233911059.db2.gz KDLCMYYBLQYSKB-SJORKVTESA-N 1 2 346.858 2.403 20 30 EEEDLO COCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1Cl ZINC001045691402 1233911065 /nfs/dbraw/zinc/91/10/65/1233911065.db2.gz KDLCMYYBLQYSKB-SJORKVTESA-N 1 2 346.858 2.403 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cnon2)CC1 ZINC001045840504 1234055668 /nfs/dbraw/zinc/05/56/68/1234055668.db2.gz XWWKCOFLEZOGNS-SJORKVTESA-N 1 2 330.432 2.381 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2cnon2)CC1 ZINC001045840504 1234055669 /nfs/dbraw/zinc/05/56/69/1234055669.db2.gz XWWKCOFLEZOGNS-SJORKVTESA-N 1 2 330.432 2.381 20 30 EEEDLO Cc1ccc(Cl)cc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046071974 1234405486 /nfs/dbraw/zinc/40/54/86/1234405486.db2.gz PCURZQMCTUJHST-INIZCTEOSA-N 1 2 346.862 2.004 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001046252486 1234596598 /nfs/dbraw/zinc/59/65/98/1234596598.db2.gz BBRBGEAAGYYFRH-GOSISDBHSA-N 1 2 340.431 2.058 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001046252486 1234596601 /nfs/dbraw/zinc/59/66/01/1234596601.db2.gz BBRBGEAAGYYFRH-GOSISDBHSA-N 1 2 340.431 2.058 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCOCC2)C1 ZINC001046274668 1234619397 /nfs/dbraw/zinc/61/93/97/1234619397.db2.gz BRWDQLRTCLENLF-ZFWWWQNUSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCOCC2)C1 ZINC001046274668 1234619399 /nfs/dbraw/zinc/61/93/99/1234619399.db2.gz BRWDQLRTCLENLF-ZFWWWQNUSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(C)on2)C1 ZINC001046320155 1234664341 /nfs/dbraw/zinc/66/43/41/1234664341.db2.gz PLEPRHGBJUHNLL-RYRKJORJSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(C)on2)C1 ZINC001046320155 1234664344 /nfs/dbraw/zinc/66/43/44/1234664344.db2.gz PLEPRHGBJUHNLL-RYRKJORJSA-N 1 2 333.432 2.045 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001046375439 1234725428 /nfs/dbraw/zinc/72/54/28/1234725428.db2.gz ZBNHWIDBTIZTQZ-LJQANCHMSA-N 1 2 341.459 2.285 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001046375439 1234725432 /nfs/dbraw/zinc/72/54/32/1234725432.db2.gz ZBNHWIDBTIZTQZ-LJQANCHMSA-N 1 2 341.459 2.285 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C(F)F)ncn2)C1 ZINC001046420629 1234783104 /nfs/dbraw/zinc/78/31/04/1234783104.db2.gz HLZQSOZINFRWMJ-CQSZACIVSA-N 1 2 330.766 2.361 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C(F)F)ncn2)C1 ZINC001046420629 1234783108 /nfs/dbraw/zinc/78/31/08/1234783108.db2.gz HLZQSOZINFRWMJ-CQSZACIVSA-N 1 2 330.766 2.361 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001046456841 1234823443 /nfs/dbraw/zinc/82/34/43/1234823443.db2.gz ROPRKKSSMRZTHP-SFHVURJKSA-N 1 2 347.846 2.152 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001046456841 1234823447 /nfs/dbraw/zinc/82/34/47/1234823447.db2.gz ROPRKKSSMRZTHP-SFHVURJKSA-N 1 2 347.846 2.152 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001046534515 1234915909 /nfs/dbraw/zinc/91/59/09/1234915909.db2.gz GGJGGGRLBPUUID-GOSISDBHSA-N 1 2 325.416 2.242 20 30 EEEDLO 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340.467 2.224 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001054042110 1247205044 /nfs/dbraw/zinc/20/50/44/1247205044.db2.gz OPKZZKLUSYHKEE-UFYCRDLUSA-N 1 2 340.467 2.224 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC001054046136 1247224367 /nfs/dbraw/zinc/22/43/67/1247224367.db2.gz CTHAJFGKCMXYKH-QGZVFWFLSA-N 1 2 348.450 2.078 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC001054046136 1247224375 /nfs/dbraw/zinc/22/43/75/1247224375.db2.gz CTHAJFGKCMXYKH-QGZVFWFLSA-N 1 2 348.450 2.078 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C)nc(C)n1 ZINC001054055492 1247249613 /nfs/dbraw/zinc/24/96/13/1247249613.db2.gz MDYKMGQWDULQEO-LJQANCHMSA-N 1 2 348.450 2.273 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C)nc(C)n1 ZINC001054055492 1247249620 /nfs/dbraw/zinc/24/96/20/1247249620.db2.gz MDYKMGQWDULQEO-LJQANCHMSA-N 1 2 348.450 2.273 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccn(CC)n1 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C[C@@H](CC1CCCC1)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070696512 1253726606 /nfs/dbraw/zinc/72/66/06/1253726606.db2.gz WNBMKCJOMFBFTB-USXIJHARSA-N 1 2 343.475 2.044 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001070784643 1253795560 /nfs/dbraw/zinc/79/55/60/1253795560.db2.gz RNIWBLVWPSPRNS-MRXNPFEDSA-N 1 2 344.459 2.218 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001070933042 1253865575 /nfs/dbraw/zinc/86/55/75/1253865575.db2.gz RKQVHMKXPJYNEP-MRXNPFEDSA-N 1 2 332.448 2.127 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CCC)C[C@@H](C)O2 ZINC001071123590 1253968508 /nfs/dbraw/zinc/96/85/08/1253968508.db2.gz AXTINFONJXCSMZ-UKRRQHHQSA-N 1 2 345.281 2.387 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCC)C[C@@H](C)O2 ZINC001071123590 1253968514 /nfs/dbraw/zinc/96/85/14/1253968514.db2.gz AXTINFONJXCSMZ-UKRRQHHQSA-N 1 2 345.281 2.387 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccncc1)C[C@@H](C)O2 ZINC001071125524 1253975749 /nfs/dbraw/zinc/97/57/49/1253975749.db2.gz SMNNVBRGHQEIKS-PBHICJAKSA-N 1 2 335.835 2.140 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccncc1)C[C@@H](C)O2 ZINC001071125524 1253975751 /nfs/dbraw/zinc/97/57/51/1253975751.db2.gz SMNNVBRGHQEIKS-PBHICJAKSA-N 1 2 335.835 2.140 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[N@@H+]1Cc1ccc(F)cn1 ZINC001071438507 1254185699 /nfs/dbraw/zinc/18/56/99/1254185699.db2.gz QISFGBATRHONRS-BLLLJJGKSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1Cc1ccc(F)cn1 ZINC001071438507 1254185705 /nfs/dbraw/zinc/18/57/05/1254185705.db2.gz QISFGBATRHONRS-BLLLJJGKSA-N 1 2 341.390 2.203 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnn3ncccc23)CC[C@@H]1C ZINC001071574129 1254360458 /nfs/dbraw/zinc/36/04/58/1254360458.db2.gz LVNDWJFGANVERC-QWHCGFSZSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnn3ncccc23)CC[C@@H]1C ZINC001071574129 1254360471 /nfs/dbraw/zinc/36/04/71/1254360471.db2.gz 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1284575011 /nfs/dbraw/zinc/57/50/11/1284575011.db2.gz YOHRFNKKYLUPRN-JXFKEZNVSA-N 1 2 349.519 2.285 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)CCC2CCCCC2)CC1 ZINC001198015517 1284928551 /nfs/dbraw/zinc/92/85/51/1284928551.db2.gz KGOJXEJJAQNBFU-UHFFFAOYSA-N 1 2 335.492 2.183 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)CCC2CCCCC2)CC1 ZINC001198015517 1284928553 /nfs/dbraw/zinc/92/85/53/1284928553.db2.gz KGOJXEJJAQNBFU-UHFFFAOYSA-N 1 2 335.492 2.183 20 30 EEEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)CCOC)c1ccccc1OC ZINC001198463677 1285167716 /nfs/dbraw/zinc/16/77/16/1285167716.db2.gz QVFOAVJXLBPPSX-CQSZACIVSA-N 1 2 326.824 2.231 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NC[C@H]([NH2+]CCF)c1ccccc1OC ZINC001198597247 1285244609 /nfs/dbraw/zinc/24/46/09/1285244609.db2.gz YSXNTOURBGGTKD-HOCLYGCPSA-N 1 2 338.423 2.393 20 30 EEEDLO C#CCC[NH2+][C@H](CNC(=O)C(F)C(F)(F)F)c1ccccc1OC ZINC001198733100 1285309330 /nfs/dbraw/zinc/30/93/30/1285309330.db2.gz XYIGALKLXHUSBT-TZMCWYRMSA-N 1 2 346.324 2.366 20 30 EEEDLO C#CCC[NH2+][C@H](CNC(=O)[C@@H](F)C(F)(F)F)c1ccccc1OC ZINC001198733100 1285309339 /nfs/dbraw/zinc/30/93/39/1285309339.db2.gz XYIGALKLXHUSBT-TZMCWYRMSA-N 1 2 346.324 2.366 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1c1cccc(F)c1C#N ZINC001069384457 1285694005 /nfs/dbraw/zinc/69/40/05/1285694005.db2.gz YIPPYLNUOIBUAG-WFASDCNBSA-N 1 2 341.390 2.137 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3ccccc3F)c2C1 ZINC001069850985 1286181306 /nfs/dbraw/zinc/18/13/06/1286181306.db2.gz OGFWXYCOYCOSJC-UHFFFAOYSA-N 1 2 328.391 2.344 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3ccccc3F)c2C1 ZINC001069850985 1286181310 /nfs/dbraw/zinc/18/13/10/1286181310.db2.gz OGFWXYCOYCOSJC-UHFFFAOYSA-N 1 2 328.391 2.344 20 30 EEEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccccc2C(C)C)CC1 ZINC001070969632 1286652855 /nfs/dbraw/zinc/65/28/55/1286652855.db2.gz ZNQZHCFOOOICQK-UHFFFAOYSA-N 1 2 343.471 2.260 20 30 EEEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2ccccc2C(C)C)CC1 ZINC001070969632 1286652863 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/nfs/dbraw/zinc/72/64/73/1295726473.db2.gz YFQIAPDJQRHVFC-KBRIMQKVSA-N 1 2 336.863 2.433 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](Cc2ccccc2)OC)C1 ZINC001211172726 1295726481 /nfs/dbraw/zinc/72/64/81/1295726481.db2.gz YFQIAPDJQRHVFC-KBRIMQKVSA-N 1 2 336.863 2.433 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001072508405 1295767768 /nfs/dbraw/zinc/76/77/68/1295767768.db2.gz UWWIFYCUGYWSNW-RHSMWYFYSA-N 1 2 341.455 2.387 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC001211427737 1295893190 /nfs/dbraw/zinc/89/31/90/1295893190.db2.gz NMDNBLKTNBZGHN-IIAWOOMASA-N 1 2 347.459 2.081 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC001211427737 1295893202 /nfs/dbraw/zinc/89/32/02/1295893202.db2.gz NMDNBLKTNBZGHN-IIAWOOMASA-N 1 2 347.459 2.081 20 30 EEEDLO C=CCCC1(C(=O)N2C[C@H](NC(=O)CCc3[nH]cc[nH+]3)[C@@H](C)C2)CC1 ZINC001072684333 1295995330 /nfs/dbraw/zinc/99/53/30/1295995330.db2.gz 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C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C)c(F)cc3F)C[C@H]21 ZINC001074273280 1297981125 /nfs/dbraw/zinc/98/11/25/1297981125.db2.gz GWYNBQXFXQTPCT-QZTJIDSGSA-N 1 2 348.393 2.212 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C)c(F)cc3F)C[C@H]21 ZINC001074273280 1297981129 /nfs/dbraw/zinc/98/11/29/1297981129.db2.gz GWYNBQXFXQTPCT-QZTJIDSGSA-N 1 2 348.393 2.212 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3nc(C)sc3C)C[C@@H]21 ZINC001074275799 1297985641 /nfs/dbraw/zinc/98/56/41/1297985641.db2.gz AWNJBDVMVGYOAQ-DLBZAZTESA-N 1 2 349.500 2.180 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3nc(C)sc3C)C[C@@H]21 ZINC001074275799 1297985644 /nfs/dbraw/zinc/98/56/44/1297985644.db2.gz AWNJBDVMVGYOAQ-DLBZAZTESA-N 1 2 349.500 2.180 20 30 EEEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001219340876 1297988134 /nfs/dbraw/zinc/98/81/34/1297988134.db2.gz QSSWJRKYFWVCNZ-LZQZEXGQSA-N 1 2 346.446 2.165 20 30 EEEDLO CCC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001219340876 1297988137 /nfs/dbraw/zinc/98/81/37/1297988137.db2.gz QSSWJRKYFWVCNZ-LZQZEXGQSA-N 1 2 346.446 2.165 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)C[C@@H]1O ZINC001219346363 1297989743 /nfs/dbraw/zinc/98/97/43/1297989743.db2.gz KQTKQHADPKYDBR-CVEARBPZSA-N 1 2 340.826 2.149 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@@H]1O ZINC001219346363 1297989745 /nfs/dbraw/zinc/98/97/45/1297989745.db2.gz KQTKQHADPKYDBR-CVEARBPZSA-N 1 2 340.826 2.149 20 30 EEEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(OC)cs3)C[C@H]21 ZINC001074313234 1298015610 /nfs/dbraw/zinc/01/56/10/1298015610.db2.gz YWMIXWFEQHSBLT-CABCVRRESA-N 1 2 336.457 2.248 20 30 EEEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(OC)cs3)C[C@H]21 ZINC001074313234 1298015615 /nfs/dbraw/zinc/01/56/15/1298015615.db2.gz YWMIXWFEQHSBLT-CABCVRRESA-N 1 2 336.457 2.248 20 30 EEEDLO Cc1cc(Cl)ccc1C[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C1 ZINC001219596316 1298078335 /nfs/dbraw/zinc/07/83/35/1298078335.db2.gz 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C=C[C@@](C)(CC)C(=O)NC[C@H]1C[N@H+](Cc2ccns2)CCCO1 ZINC001150247075 1316214374 /nfs/dbraw/zinc/21/43/74/1316214374.db2.gz LUEIJQCYJPMBKK-YOEHRIQHSA-N 1 2 337.489 2.453 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[N@@H+](Cc2ccns2)CCCO1 ZINC001150247075 1316214376 /nfs/dbraw/zinc/21/43/76/1316214376.db2.gz LUEIJQCYJPMBKK-YOEHRIQHSA-N 1 2 337.489 2.453 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)COc2ccsc2)C1 ZINC001150588638 1316308544 /nfs/dbraw/zinc/30/85/44/1316308544.db2.gz QDUIZIABTIOZAT-CQSZACIVSA-N 1 2 344.864 2.087 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)COc2ccsc2)C1 ZINC001150588638 1316308546 /nfs/dbraw/zinc/30/85/46/1316308546.db2.gz QDUIZIABTIOZAT-CQSZACIVSA-N 1 2 344.864 2.087 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2cccc(F)c2)C1 ZINC001150686260 1316344224 /nfs/dbraw/zinc/34/42/24/1316344224.db2.gz YVXPHEXMPFVQCV-MRXNPFEDSA-N 1 2 340.826 2.328 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)Cc2cccc(F)c2)C1 ZINC001150686260 1316344227 /nfs/dbraw/zinc/34/42/27/1316344227.db2.gz YVXPHEXMPFVQCV-MRXNPFEDSA-N 1 2 340.826 2.328 20 30 EEEDLO C=CCOCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccn1CC ZINC001152585269 1316693389 /nfs/dbraw/zinc/69/33/89/1316693389.db2.gz UAEGAASIKWYMNT-MRXNPFEDSA-N 1 2 336.480 2.212 20 30 EEEDLO C=CCOCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nccn1CC ZINC001152585269 1316693391 /nfs/dbraw/zinc/69/33/91/1316693391.db2.gz UAEGAASIKWYMNT-MRXNPFEDSA-N 1 2 336.480 2.212 20 30 EEEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1CC(OC)C1 ZINC001153933367 1316919368 /nfs/dbraw/zinc/91/93/68/1316919368.db2.gz STIMBSJUKBXHLC-MJJDPTRDSA-N 1 2 347.434 2.449 20 30 EEEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1CC(OC)C1 ZINC001153933367 1316919370 /nfs/dbraw/zinc/91/93/70/1316919370.db2.gz STIMBSJUKBXHLC-MJJDPTRDSA-N 1 2 347.434 2.449 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nc(C)cs2)c1 ZINC001155149757 1317474881 /nfs/dbraw/zinc/47/48/81/1317474881.db2.gz RAUVAIFIQNVPOJ-CQSZACIVSA-N 1 2 342.468 2.468 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nc(C)cs2)c1 ZINC001155149757 1317474885 /nfs/dbraw/zinc/47/48/85/1317474885.db2.gz RAUVAIFIQNVPOJ-CQSZACIVSA-N 1 2 342.468 2.468 20 30 EEEDLO CCCCCCCC[C@H](O)C[N@H+]1Cc2nnn(C)c2[C@H](COC)C1 ZINC001252126173 1317559532 /nfs/dbraw/zinc/55/95/32/1317559532.db2.gz MITMNJMNZHSFLN-HOTGVXAUSA-N 1 2 338.496 2.472 20 30 EEEDLO CCCCCCCC[C@H](O)C[N@@H+]1Cc2nnn(C)c2[C@H](COC)C1 ZINC001252126173 1317559536 /nfs/dbraw/zinc/55/95/36/1317559536.db2.gz MITMNJMNZHSFLN-HOTGVXAUSA-N 1 2 338.496 2.472 20 30 EEEDLO C=CCCCCCC[C@H](O)C[NH2+][C@@H](C(=O)OC)C1CCOCC1 ZINC001253248257 1317808562 /nfs/dbraw/zinc/80/85/62/1317808562.db2.gz SSKFGSSTCVXIEF-DLBZAZTESA-N 1 2 327.465 2.432 20 30 EEEDLO Cc1cc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)C)nn1C ZINC001157940404 1318940305 /nfs/dbraw/zinc/94/03/05/1318940305.db2.gz XVKCMFSYOGIPMT-GOSISDBHSA-N 1 2 330.476 2.201 20 30 EEEDLO Cc1cc(C[N@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)C)nn1C ZINC001157940404 1318940307 /nfs/dbraw/zinc/94/03/07/1318940307.db2.gz XVKCMFSYOGIPMT-GOSISDBHSA-N 1 2 330.476 2.201 20 30 EEEDLO C=CCC[C@@H](C)[N@@H+]1CC(=O)NC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001258725731 1319328722 /nfs/dbraw/zinc/32/87/22/1319328722.db2.gz MQZSRZQYZSQOAS-KDOFPFPSSA-N 1 2 337.464 2.153 20 30 EEEDLO C=CCC[C@@H](C)[N@H+]1CC(=O)NC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001258725731 1319328732 /nfs/dbraw/zinc/32/87/32/1319328732.db2.gz MQZSRZQYZSQOAS-KDOFPFPSSA-N 1 2 337.464 2.153 20 30 EEEDLO C=CCOC(=O)N[C@H]1CCCN(c2nc(NC3CC3)c(C)c[nH+]2)C1 ZINC001158906847 1319498999 /nfs/dbraw/zinc/49/89/99/1319498999.db2.gz IOCNWKMZKIURSN-AWEZNQCLSA-N 1 2 331.420 2.240 20 30 EEEDLO C#CCC1(C(=O)NCCC[NH2+]Cc2noc(CC(C)C)n2)CCC1 ZINC001159664826 1319940609 /nfs/dbraw/zinc/94/06/09/1319940609.db2.gz HXFJRNRJZJYHKG-UHFFFAOYSA-N 1 2 332.448 2.058 20 30 EEEDLO Cc1nc(C[N@H+]2CC=C(CCNC(=O)c3cc(C#N)c[nH]3)CC2)co1 ZINC001159739681 1319975278 /nfs/dbraw/zinc/97/52/78/1319975278.db2.gz YCINNYJGCBTXNT-UHFFFAOYSA-N 1 2 339.399 2.135 20 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/nfs/dbraw/zinc/01/82/56/1321018256.db2.gz PBBXMIYAFSCENA-UHFFFAOYSA-N 1 2 339.483 2.410 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](CO)[C@H]1C ZINC001262948180 1322402869 /nfs/dbraw/zinc/40/28/69/1322402869.db2.gz CVDUIXYXPUNLTB-PMPSAXMXSA-N 1 2 333.480 2.218 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](CO)[C@H]1C ZINC001262948180 1322402874 /nfs/dbraw/zinc/40/28/74/1322402874.db2.gz CVDUIXYXPUNLTB-PMPSAXMXSA-N 1 2 333.480 2.218 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H]3C)n2Cc2ccccc2)CC1 ZINC001263151872 1322438484 /nfs/dbraw/zinc/43/84/84/1322438484.db2.gz OJACFQWMCBSZIP-WMZOPIPTSA-N 1 2 335.455 2.205 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2c(F)cccc2F)C[C@H]1C ZINC001206914964 1323698179 /nfs/dbraw/zinc/69/81/79/1323698179.db2.gz ZCJYDJXKBQYREW-NJAPINKUSA-N 1 2 338.398 2.228 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2c(F)cccc2F)C[C@H]1C ZINC001206914964 1323698186 /nfs/dbraw/zinc/69/81/86/1323698186.db2.gz ZCJYDJXKBQYREW-NJAPINKUSA-N 1 2 338.398 2.228 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001206917088 1323700395 /nfs/dbraw/zinc/70/03/95/1323700395.db2.gz PUEKBTRMMXLNKX-LBTNJELSSA-N 1 2 335.448 2.062 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C(C)C)o2)C[C@H]1C ZINC001206917088 1323700399 /nfs/dbraw/zinc/70/03/99/1323700399.db2.gz PUEKBTRMMXLNKX-LBTNJELSSA-N 1 2 335.448 2.062 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1C ZINC001207145127 1323876626 /nfs/dbraw/zinc/87/66/26/1323876626.db2.gz DBFRAWXJLGPIDZ-BXKDBHETSA-N 1 2 328.869 2.253 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1C ZINC001207145127 1323876630 /nfs/dbraw/zinc/87/66/30/1323876630.db2.gz DBFRAWXJLGPIDZ-BXKDBHETSA-N 1 2 328.869 2.253 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H]([NH2+]Cc2nnc([C@H]3CCCOC3)o2)C1 ZINC001207654015 1324071329 /nfs/dbraw/zinc/07/13/29/1324071329.db2.gz MYNBBDMSYGPMIQ-LSDHHAIUSA-N 1 2 348.447 2.010 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cncc(OC)n2)C[C@H]1C ZINC001208315377 1324417953 /nfs/dbraw/zinc/41/79/53/1324417953.db2.gz WVKHZRPKHOBQBL-NVXWUHKLSA-N 1 2 344.459 2.005 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cncc(OC)n2)C[C@H]1C ZINC001208315377 1324417957 /nfs/dbraw/zinc/41/79/57/1324417957.db2.gz WVKHZRPKHOBQBL-NVXWUHKLSA-N 1 2 344.459 2.005 20 30 EEEDLO C#CCC1(C(=O)N2CCC[C@H]([NH2+]Cc3nc(CCC)no3)C2)CCC1 ZINC001208318746 1324421189 /nfs/dbraw/zinc/42/11/89/1324421189.db2.gz HAGYVGJJMXFYDY-HNNXBMFYSA-N 1 2 344.459 2.296 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cn(CC3CC3)nn2)C[C@H]1C ZINC001208392941 1324472297 /nfs/dbraw/zinc/47/22/97/1324472297.db2.gz GNJHTJIUYFAVGG-RVKKMQEKSA-N 1 2 345.491 2.227 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cn(CC3CC3)nn2)C[C@H]1C ZINC001208392941 1324472303 /nfs/dbraw/zinc/47/23/03/1324472303.db2.gz GNJHTJIUYFAVGG-RVKKMQEKSA-N 1 2 345.491 2.227 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)OC)C1 ZINC001208537143 1324549187 /nfs/dbraw/zinc/54/91/87/1324549187.db2.gz VAVXLIIRUUBGQJ-BNOWGMLFSA-N 1 2 347.297 2.393 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)OC)C1 ZINC001208537143 1324549191 /nfs/dbraw/zinc/54/91/91/1324549191.db2.gz VAVXLIIRUUBGQJ-BNOWGMLFSA-N 1 2 347.297 2.393 20 30 EEEDLO CCn1nnc2c1CC[N@H+](CCCc1ccc(C#N)cc1)[C@H]2COC ZINC001208856401 1324693383 /nfs/dbraw/zinc/69/33/83/1324693383.db2.gz MFCBHTMRZYLCKT-SFHVURJKSA-N 1 2 339.443 2.348 20 30 EEEDLO CCn1nnc2c1CC[N@@H+](CCCc1ccc(C#N)cc1)[C@H]2COC ZINC001208856401 1324693388 /nfs/dbraw/zinc/69/33/88/1324693388.db2.gz MFCBHTMRZYLCKT-SFHVURJKSA-N 1 2 339.443 2.348 20 30 EEEDLO CC#CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C(C)C)no2)C1 ZINC001209147467 1324822100 /nfs/dbraw/zinc/82/21/00/1324822100.db2.gz XJTVJPYLJWKEAP-OAHLLOKOSA-N 1 2 332.448 2.467 20 30 EEEDLO C=C(CC)CNC(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC001325458325 1333890485 /nfs/dbraw/zinc/89/04/85/1333890485.db2.gz QRQKZXVRJIGAMT-OAHLLOKOSA-N 1 2 337.851 2.141 20 30 EEEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](CF)C1 ZINC001340492231 1337195617 /nfs/dbraw/zinc/19/56/17/1337195617.db2.gz QLJITDVEBJJDBE-OAHLLOKOSA-N 1 2 346.454 2.353 20 30 EEEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@@H](C)C1 ZINC001343007944 1337326720 /nfs/dbraw/zinc/32/67/20/1337326720.db2.gz XWDOYEDOWBIIMG-CVEARBPZSA-N 1 2 333.480 2.482 20 30 EEEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@@H](C)C1 ZINC001343007944 1337326721 /nfs/dbraw/zinc/32/67/21/1337326721.db2.gz XWDOYEDOWBIIMG-CVEARBPZSA-N 1 2 333.480 2.482 20 30 EEEDLO CC[C@@H](C(=O)NCc1ccc(OCC#N)cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001433661696 1341652461 /nfs/dbraw/zinc/65/24/61/1341652461.db2.gz JBXFWACKXHJZJH-WMZOPIPTSA-N 1 2 345.443 2.095 20 30 EEEDLO CC[C@@H](C(=O)NCc1ccc(OCC#N)cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC001433661696 1341652463 /nfs/dbraw/zinc/65/24/63/1341652463.db2.gz JBXFWACKXHJZJH-WMZOPIPTSA-N 1 2 345.443 2.095 20 30 EEEDLO 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1410334821 /nfs/dbraw/zinc/33/48/21/1410334821.db2.gz PDSIDHGGGDLMNG-KGLIPLIRSA-N 1 2 338.452 2.160 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1COCCN1c1nc(C)[nH+]c(C)c1C ZINC001111710577 1410847114 /nfs/dbraw/zinc/84/71/14/1410847114.db2.gz OFNRKPVHXKAWHS-DYVFJYSZSA-N 1 2 346.475 2.326 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC001112424980 1410915008 /nfs/dbraw/zinc/91/50/08/1410915008.db2.gz WHBZWACZLNQPHO-UKRRQHHQSA-N 1 2 342.447 2.051 20 30 EEEDLO CC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001212182782 790297640 /nfs/dbraw/zinc/29/76/40/790297640.db2.gz LPRZERPDZPUGMV-FSPWUOQZSA-N 1 2 347.434 2.449 20 30 EEEDLO CC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001212182782 790297641 /nfs/dbraw/zinc/29/76/41/790297641.db2.gz LPRZERPDZPUGMV-FSPWUOQZSA-N 1 2 347.434 2.449 20 30 EEEDLO CC(C)n1ccc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)n1 ZINC001032020477 782546706 /nfs/dbraw/zinc/54/67/06/782546706.db2.gz ONEULZLVTSOKJI-UHFFFAOYSA-N 1 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C#Cc1ccc(C(=O)N[C@H](CNc2cc[nH+]c(C)n2)CC(C)C)nc1 ZINC001104955736 765659091 /nfs/dbraw/zinc/65/90/91/765659091.db2.gz JAJNHZYXORYREA-INIZCTEOSA-N 1 2 337.427 2.418 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2C)[C@H](C)C1 ZINC000942546548 782685715 /nfs/dbraw/zinc/68/57/15/782685715.db2.gz WIYDGCBSMBIOFW-NOZJJQNGSA-N 1 2 341.253 2.067 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2C)[C@H](C)C1 ZINC000942546548 782685718 /nfs/dbraw/zinc/68/57/18/782685718.db2.gz WIYDGCBSMBIOFW-NOZJJQNGSA-N 1 2 341.253 2.067 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CCNc1cc[nH+]c(C)n1 ZINC001105070139 768990277 /nfs/dbraw/zinc/99/02/77/768990277.db2.gz YXSHKMCUYNVGSQ-ZBFHGGJFSA-N 1 2 330.432 2.006 20 30 EEEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)[C@H](C)C1 ZINC000942555672 782722672 /nfs/dbraw/zinc/72/26/72/782722672.db2.gz NZUCQDKKBKYBSN-CJNGLKHVSA-N 1 2 325.416 2.098 20 30 EEEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)[C@H](C)C1 ZINC000942555672 782722684 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EEEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CC1(F)F ZINC001031656032 770675517 /nfs/dbraw/zinc/67/55/17/770675517.db2.gz RJQUGLGNQIHIMY-OAHLLOKOSA-N 1 2 338.785 2.395 20 30 EEEDLO CCN(CCNc1cccc(F)c1C#N)C(=O)CCc1c[nH]c[nH+]1 ZINC001106985676 782935939 /nfs/dbraw/zinc/93/59/39/782935939.db2.gz BXTYTFGKQZLSML-UHFFFAOYSA-N 1 2 329.379 2.314 20 30 EEEDLO CCN(CCNc1cccc(F)c1C#N)C(=O)CCc1c[nH+]c[nH]1 ZINC001106985676 782935942 /nfs/dbraw/zinc/93/59/42/782935942.db2.gz BXTYTFGKQZLSML-UHFFFAOYSA-N 1 2 329.379 2.314 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)cs1 ZINC001027835994 773286533 /nfs/dbraw/zinc/28/65/33/773286533.db2.gz NJZYOGBDOFBYDP-OAHLLOKOSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)cs1 ZINC001027835994 773286537 /nfs/dbraw/zinc/28/65/37/773286537.db2.gz NJZYOGBDOFBYDP-OAHLLOKOSA-N 1 2 329.429 2.046 20 30 EEEDLO CC[C@H]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)O1 ZINC001031708558 773520992 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/nfs/dbraw/zinc/79/80/31/778798031.db2.gz ASRSLMIRVGOFDN-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO CCn1ccc(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)n1 ZINC000982084289 779041051 /nfs/dbraw/zinc/04/10/51/779041051.db2.gz NJICHNDJAXAESC-UHFFFAOYSA-N 1 2 336.439 2.103 20 30 EEEDLO CCn1ccc(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)n1 ZINC000982084289 779041061 /nfs/dbraw/zinc/04/10/61/779041061.db2.gz NJICHNDJAXAESC-UHFFFAOYSA-N 1 2 336.439 2.103 20 30 EEEDLO CC(C)c1noc(C[N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H](C)C#N)C[C@@]3(C)C2)n1 ZINC000982237335 779364022 /nfs/dbraw/zinc/36/40/22/779364022.db2.gz ZVPRQRJVGBSCJH-DOPJRALCSA-N 1 2 345.447 2.023 20 30 EEEDLO CC(C)c1noc(C[N@H+]2C[C@@]3(C)CN(C(=O)[C@@H](C)C#N)C[C@@]3(C)C2)n1 ZINC000982237335 779364027 /nfs/dbraw/zinc/36/40/27/779364027.db2.gz ZVPRQRJVGBSCJH-DOPJRALCSA-N 1 2 345.447 2.023 20 30 EEEDLO Cc1cc(N[C@H]2C[C@H](CNC(=O)CSCC#N)C2)nc(C(C)C)[nH+]1 ZINC001091429718 790724019 /nfs/dbraw/zinc/72/40/19/790724019.db2.gz ATEWONGOYCEQKP-HDJSIYSDSA-N 1 2 347.488 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335.835 2.194 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccc(=O)[nH]c1)C2 ZINC001109643334 805816120 /nfs/dbraw/zinc/81/61/20/805816120.db2.gz BJZRDRIHPZMSEK-ILXRZTDVSA-N 1 2 335.835 2.194 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001062302641 787860492 /nfs/dbraw/zinc/86/04/92/787860492.db2.gz WGSDTNCLZHZGMJ-QGZVFWFLSA-N 1 2 346.475 2.206 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001079014462 788129402 /nfs/dbraw/zinc/12/94/02/788129402.db2.gz IMAIRWUXNKLWJF-INIZCTEOSA-N 1 2 346.475 2.456 20 30 EEEDLO CC[C@H](C)C(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107751687 788232889 /nfs/dbraw/zinc/23/28/89/788232889.db2.gz HYETXXKPWNULFY-KXBFYZLASA-N 1 2 329.444 2.311 20 30 EEEDLO CC[C@H](C)C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107751687 788232893 /nfs/dbraw/zinc/23/28/93/788232893.db2.gz HYETXXKPWNULFY-KXBFYZLASA-N 1 2 329.444 2.311 20 30 EEEDLO 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C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCC1 ZINC001109769635 805954447 /nfs/dbraw/zinc/95/44/47/805954447.db2.gz MHDUJZNIKKWDRH-IKGGRYGDSA-N 1 2 347.503 2.369 20 30 EEEDLO C[C@H](CC(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1)n1cc[nH+]c1 ZINC000845277980 789704735 /nfs/dbraw/zinc/70/47/35/789704735.db2.gz QUQUBUWIMGSJEK-KGLIPLIRSA-N 1 2 332.404 2.109 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H](C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107950013 789729565 /nfs/dbraw/zinc/72/95/65/789729565.db2.gz WKMREDAPEJAOKJ-CQSZACIVSA-N 1 2 343.475 2.150 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H](C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107950013 789729570 /nfs/dbraw/zinc/72/95/70/789729570.db2.gz WKMREDAPEJAOKJ-CQSZACIVSA-N 1 2 343.475 2.150 20 30 EEEDLO C#CC[NH+]1CCN(c2ncnc3cc(Br)sc32)CC1 ZINC000845460338 789785680 /nfs/dbraw/zinc/78/56/80/789785680.db2.gz DJXAAHDMMRGPMG-UHFFFAOYSA-N 1 2 337.246 2.209 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079046475 790020873 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C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(C(=O)N(C)C)c2)[C@H]1C ZINC001088987214 791826692 /nfs/dbraw/zinc/82/66/92/791826692.db2.gz OYSKHSXPWGEBCT-CJNGLKHVSA-N 1 2 349.862 2.334 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C(=O)N(C)C)c2)[C@H]1C ZINC001088987214 791826695 /nfs/dbraw/zinc/82/66/95/791826695.db2.gz OYSKHSXPWGEBCT-CJNGLKHVSA-N 1 2 349.862 2.334 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000998014963 791840758 /nfs/dbraw/zinc/84/07/58/791840758.db2.gz MBGUZJFXKCEYOL-JKSUJKDBSA-N 1 2 328.460 2.166 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000998014963 791840764 /nfs/dbraw/zinc/84/07/64/791840764.db2.gz MBGUZJFXKCEYOL-JKSUJKDBSA-N 1 2 328.460 2.166 20 30 EEEDLO C=CC(C)(C)C(=O)NCC1(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCC1 ZINC001063919310 791947391 /nfs/dbraw/zinc/94/73/91/791947391.db2.gz DENYJOSKMMDQGO-CYBMUJFWSA-N 1 2 344.459 2.197 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H](C)C(=O)N2CCCCC2)C1 ZINC001032614222 792352909 /nfs/dbraw/zinc/35/29/09/792352909.db2.gz KMJRDVQZWOFCLB-IKGGRYGDSA-N 1 2 345.487 2.029 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H](C)C(=O)N2CCCCC2)C1 ZINC001032614222 792352917 /nfs/dbraw/zinc/35/29/17/792352917.db2.gz KMJRDVQZWOFCLB-IKGGRYGDSA-N 1 2 345.487 2.029 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(c2[nH+]cnc3c2cnn3C)C1 ZINC001089159317 792910211 /nfs/dbraw/zinc/91/02/11/792910211.db2.gz OWTMEPMRPXZIOE-CHWSQXEVSA-N 1 2 342.447 2.049 20 30 EEEDLO CCn1ccc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC001089175028 793088364 /nfs/dbraw/zinc/08/83/64/793088364.db2.gz OTGGQPBRYGOFTG-SFHVURJKSA-N 1 2 328.460 2.129 20 30 EEEDLO CCn1ccc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC001089175028 793088372 /nfs/dbraw/zinc/08/83/72/793088372.db2.gz OTGGQPBRYGOFTG-SFHVURJKSA-N 1 2 328.460 2.129 20 30 EEEDLO Cc1sc2nc(C[NH+](C)C)nc(N[C@@H]3C(=O)N(O)C[C@@H]3C)c2c1C ZINC001171363238 793167942 /nfs/dbraw/zinc/16/79/42/793167942.db2.gz VDUFPCOCTMUYDR-SDBXPKJASA-N 1 2 349.460 2.018 20 30 EEEDLO C#CCOCCC(=O)N1CCCCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091920046 793408529 /nfs/dbraw/zinc/40/85/29/793408529.db2.gz LSVPZGHGUCHGFY-INIZCTEOSA-N 1 2 330.432 2.008 20 30 EEEDLO Cc1cc(N2CC[C@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)nc(C(C)C)[nH+]1 ZINC001064605310 793466858 /nfs/dbraw/zinc/46/68/58/793466858.db2.gz BCAUPJHZTWUYEL-LIRRHRJNSA-N 1 2 341.459 2.497 20 30 EEEDLO C=CCC1(C(=O)NCC2CC(Nc3cc[nH+]c(C)n3)C2)CCOCC1 ZINC001092230454 793699326 /nfs/dbraw/zinc/69/93/26/793699326.db2.gz WINJLCXWPZJJHV-UHFFFAOYSA-N 1 2 344.459 2.465 20 30 EEEDLO C[C@H]1C[C@@H](Nc2ccc(C#N)nc2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001064816494 793811660 /nfs/dbraw/zinc/81/16/60/793811660.db2.gz PIPJNTUFNLRTEZ-GJZGRUSLSA-N 1 2 338.415 2.031 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)CC1=CCCCC1)c1nccn12 ZINC001092356858 793829390 /nfs/dbraw/zinc/82/93/90/793829390.db2.gz LUOWCWSLNKZVHK-QGZVFWFLSA-N 1 2 338.455 2.369 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCCCC1)c1nccn12 ZINC001092344001 793869164 /nfs/dbraw/zinc/86/91/64/793869164.db2.gz FYVGKQRRLPRXKM-MRXNPFEDSA-N 1 2 326.444 2.059 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C13CCC(CC1)C3)c1nccn12 ZINC001092378000 793871042 /nfs/dbraw/zinc/87/10/42/793871042.db2.gz GPWVSDYCVJRMNZ-CSLYMUCUSA-N 1 2 326.444 2.221 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)CC1CC(C)(C)C1)c1nccn12 ZINC001092388213 793884100 /nfs/dbraw/zinc/88/41/00/793884100.db2.gz FNUFPKCJMYUQSP-MRXNPFEDSA-N 1 2 340.471 2.305 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)C1CCCC1)c1nccn12 ZINC001092407358 793954493 /nfs/dbraw/zinc/95/44/93/793954493.db2.gz JBRBYNGJKNLXPH-RDJZCZTQSA-N 1 2 340.471 2.305 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001092619075 794187246 /nfs/dbraw/zinc/18/72/46/794187246.db2.gz DFQWPEZSXFSDJC-IJEWVQPXSA-N 1 2 332.448 2.273 20 30 EEEDLO Cc1nsc(N[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c1C#N ZINC001098302864 794379601 /nfs/dbraw/zinc/37/96/01/794379601.db2.gz OBWXWJVGRNVCEY-MNOVXSKESA-N 1 2 332.433 2.088 20 30 EEEDLO Cc1nnsc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001079411763 794708111 /nfs/dbraw/zinc/70/81/11/794708111.db2.gz JLVTWUZCIWDDEM-NOZJJQNGSA-N 1 2 347.469 2.030 20 30 EEEDLO Cc1nnsc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001079411763 794708116 /nfs/dbraw/zinc/70/81/16/794708116.db2.gz JLVTWUZCIWDDEM-NOZJJQNGSA-N 1 2 347.469 2.030 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2[C@H]3CN(c4nc(C)[nH+]c(C)c4C)C[C@H]32)CCC1 ZINC001093316897 795002292 /nfs/dbraw/zinc/00/22/92/795002292.db2.gz TZUROABMSGIBPU-FVQHAEBGSA-N 1 2 338.455 2.146 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nc(COC)no2)C1 ZINC000999896893 795050829 /nfs/dbraw/zinc/05/08/29/795050829.db2.gz BHMQLARVXDSMQZ-STQMWFEESA-N 1 2 336.436 2.070 20 30 EEEDLO Cc1nc(N[C@@H](C)C[C@H](C)NC(=O)CCc2[nH]cc[nH+]2)ccc1C#N ZINC001089307427 795157970 /nfs/dbraw/zinc/15/79/70/795157970.db2.gz YAWDVSQQJKVTRC-STQMWFEESA-N 1 2 340.431 2.313 20 30 EEEDLO C=CCCC(=O)N1CCC(C)(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001112345523 795219601 /nfs/dbraw/zinc/21/96/01/795219601.db2.gz ZJJGENSIIJFDOZ-UHFFFAOYSA-N 1 2 328.420 2.123 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3cnsn3)C2)C1 ZINC001036816147 795236622 /nfs/dbraw/zinc/23/66/22/795236622.db2.gz QLPLRKDHAJJVSL-DZGCQCFKSA-N 1 2 332.473 2.317 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3Cc3cnsn3)C2)C1 ZINC001036816147 795236625 /nfs/dbraw/zinc/23/66/25/795236625.db2.gz QLPLRKDHAJJVSL-DZGCQCFKSA-N 1 2 332.473 2.317 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCCO[C@@H]3C)CC2)C1 ZINC001093527441 795314288 /nfs/dbraw/zinc/31/42/88/795314288.db2.gz TUMYRBJSKZGWKS-CRAIPNDOSA-N 1 2 336.476 2.069 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001107999697 795388237 /nfs/dbraw/zinc/38/82/37/795388237.db2.gz CSTGFCBOYKPTBA-XWYJBKDPSA-N 1 2 344.499 2.289 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001107999697 795388238 /nfs/dbraw/zinc/38/82/38/795388238.db2.gz CSTGFCBOYKPTBA-XWYJBKDPSA-N 1 2 344.499 2.289 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccc(OC)cc3)CC2)C1 ZINC001093591546 795404045 /nfs/dbraw/zinc/40/40/45/795404045.db2.gz FWUYQDRZOOUHLS-UHFFFAOYSA-N 1 2 330.428 2.187 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3cc(CCC)n[nH]3)CC2)C1 ZINC001093559048 795415492 /nfs/dbraw/zinc/41/54/92/795415492.db2.gz JIOYIZJVZDUPEJ-UHFFFAOYSA-N 1 2 346.475 2.244 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)COc3cccc(F)c3)CC2)C1 ZINC001093595603 795435384 /nfs/dbraw/zinc/43/53/84/795435384.db2.gz KNYIYUMXPRDOPF-UHFFFAOYSA-N 1 2 348.418 2.082 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)C1CCCC1 ZINC001077980391 795599381 /nfs/dbraw/zinc/59/93/81/795599381.db2.gz VAHHWKPAODIGHM-PWIZWCRZSA-N 1 2 340.467 2.026 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)C1CCCC1 ZINC001077980391 795599386 /nfs/dbraw/zinc/59/93/86/795599386.db2.gz VAHHWKPAODIGHM-PWIZWCRZSA-N 1 2 340.467 2.026 20 30 EEEDLO C#CCOCCC(=O)N[C@H](C)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106443185 795604740 /nfs/dbraw/zinc/60/47/40/795604740.db2.gz TUGDXCVWWAIINP-CYBMUJFWSA-N 1 2 330.432 2.009 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3ccncc3n2)C1 ZINC001080140958 795617256 /nfs/dbraw/zinc/61/72/56/795617256.db2.gz NIHDOVQSHOKCOW-BDJLRTHQSA-N 1 2 330.819 2.432 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3ccncc3n2)C1 ZINC001080140958 795617261 /nfs/dbraw/zinc/61/72/61/795617261.db2.gz NIHDOVQSHOKCOW-BDJLRTHQSA-N 1 2 330.819 2.432 20 30 EEEDLO C=C1CCC(C(=O)N2CC(N(CC)C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001080199531 795730011 /nfs/dbraw/zinc/73/00/11/795730011.db2.gz FFNKMQKROCWESJ-UHFFFAOYSA-N 1 2 344.459 2.066 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC(N(CC)C(=O)CCc2c[nH+]cn2C)C1 ZINC001080247195 795755779 /nfs/dbraw/zinc/75/57/79/795755779.db2.gz WOWGCQZFEBKVAN-UHFFFAOYSA-N 1 2 346.475 2.014 20 30 EEEDLO C[C@H](CC(=O)N[C@@H](C)CCNc1ccc(C#N)nc1)n1cc[nH+]c1 ZINC001106592863 795905823 /nfs/dbraw/zinc/90/58/23/795905823.db2.gz JZYGDLUIHVOYQQ-UONOGXRCSA-N 1 2 326.404 2.108 20 30 EEEDLO C=CCCCC(=O)N(CC)C1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001080390147 795933746 /nfs/dbraw/zinc/93/37/46/795933746.db2.gz QLPMFWURMBBPQX-AWEZNQCLSA-N 1 2 332.448 2.004 20 30 EEEDLO C=CCCCC(=O)N(CC)C1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001080390147 795933753 /nfs/dbraw/zinc/93/37/53/795933753.db2.gz QLPMFWURMBBPQX-AWEZNQCLSA-N 1 2 332.448 2.004 20 30 EEEDLO C=CCC1(C(=O)N(CC)C2CN(C(=O)CCc3[nH]cc[nH+]3)C2)CCC1 ZINC001080468913 796043552 /nfs/dbraw/zinc/04/35/52/796043552.db2.gz ICBVBFMLXNVTMO-UHFFFAOYSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001080471044 796045643 /nfs/dbraw/zinc/04/56/43/796045643.db2.gz MBNIXYYKFIDKHD-MIGQKNRLSA-N 1 2 349.862 2.263 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1C ZINC001080471044 796045650 /nfs/dbraw/zinc/04/56/50/796045650.db2.gz MBNIXYYKFIDKHD-MIGQKNRLSA-N 1 2 349.862 2.263 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3[C@@H](C=C(C)C)C3(C)C)nn2)C1 ZINC001094303496 796073337 /nfs/dbraw/zinc/07/33/37/796073337.db2.gz LXJRJBWONZHGDY-IAGOWNOFSA-N 1 2 343.475 2.175 20 30 EEEDLO C=CCCC(=O)N1CCC2(CC1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001080638072 796275812 /nfs/dbraw/zinc/27/58/12/796275812.db2.gz QFYUHYXTJBQBHJ-UHFFFAOYSA-N 1 2 344.459 2.150 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCCO[C@H](C[NH2+][C@@H](C)c3nnc(C)o3)C2)C1 ZINC001078464975 796518094 /nfs/dbraw/zinc/51/80/94/796518094.db2.gz LQCVWMMAIGVIKP-DZGCQCFKSA-N 1 2 348.447 2.002 20 30 EEEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C1=CCCC1 ZINC001081527220 796796767 /nfs/dbraw/zinc/79/67/67/796796767.db2.gz OQRWOFLTIRHGJZ-RTBURBONSA-N 1 2 342.414 2.103 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C1=CCCC1 ZINC001081527220 796796771 /nfs/dbraw/zinc/79/67/71/796796771.db2.gz OQRWOFLTIRHGJZ-RTBURBONSA-N 1 2 342.414 2.103 20 30 EEEDLO C[C@H](CC(=O)N1CC[C@H](CNc2ncccc2C#N)C1)n1cc[nH+]c1 ZINC001061001947 796827553 /nfs/dbraw/zinc/82/75/53/796827553.db2.gz ZEJTXZGWMZXZIM-HUUCEWRRSA-N 1 2 338.415 2.061 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2nnc3ccccc3n2)[C@H]1C ZINC000993589205 796850400 /nfs/dbraw/zinc/85/04/00/796850400.db2.gz KEEBQROTASRGRM-OLZOCXBDSA-N 1 2 345.834 2.360 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2nnc3ccccc3n2)[C@H]1C ZINC000993589205 796850407 /nfs/dbraw/zinc/85/04/07/796850407.db2.gz KEEBQROTASRGRM-OLZOCXBDSA-N 1 2 345.834 2.360 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2c(C)nn(C)c2C)[C@H]1C ZINC000993647768 796871011 /nfs/dbraw/zinc/87/10/11/796871011.db2.gz SUDBJRSEPXRLCX-ZBFHGGJFSA-N 1 2 338.883 2.301 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2c(C)nn(C)c2C)[C@H]1C ZINC000993647768 796871014 /nfs/dbraw/zinc/87/10/14/796871014.db2.gz SUDBJRSEPXRLCX-ZBFHGGJFSA-N 1 2 338.883 2.301 20 30 EEEDLO C=CCOC[C@@H]1C[N@@H+]([C@@H]2COC(C)(C)C2)Cc2nnn(CC3CC3)c21 ZINC001172285609 796959393 /nfs/dbraw/zinc/95/93/93/796959393.db2.gz RPHOSHMTBCOVFY-HOTGVXAUSA-N 1 2 346.475 2.357 20 30 EEEDLO C=CCOC[C@@H]1C[N@H+]([C@@H]2COC(C)(C)C2)Cc2nnn(CC3CC3)c21 ZINC001172285609 796959398 /nfs/dbraw/zinc/95/93/98/796959398.db2.gz RPHOSHMTBCOVFY-HOTGVXAUSA-N 1 2 346.475 2.357 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(OC)nn3)[C@H]2C)C1 ZINC000993786421 797022049 /nfs/dbraw/zinc/02/20/49/797022049.db2.gz FXDXJBAUSGFVJO-GOEBONIOSA-N 1 2 344.459 2.311 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(OC)nn3)[C@H]2C)C1 ZINC000993786421 797022054 /nfs/dbraw/zinc/02/20/54/797022054.db2.gz FXDXJBAUSGFVJO-GOEBONIOSA-N 1 2 344.459 2.311 20 30 EEEDLO Cc1cc(N[C@@H]2CCN(C(=O)CSCC#N)C2)nc(C(C)C)[nH+]1 ZINC001095011243 797228088 /nfs/dbraw/zinc/22/80/88/797228088.db2.gz NIYYALWZRASYDQ-CYBMUJFWSA-N 1 2 333.461 2.178 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001082178668 797266519 /nfs/dbraw/zinc/26/65/19/797266519.db2.gz NHAVVCJLJPSDOJ-KXBFYZLASA-N 1 2 346.475 2.062 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn(C(C)C)nn2)[C@@H]1C ZINC000994109030 797324210 /nfs/dbraw/zinc/32/42/10/797324210.db2.gz UAXRUVBULLJDIL-QWHCGFSZSA-N 1 2 325.844 2.194 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C(C)C)nn2)[C@@H]1C ZINC000994109030 797324216 /nfs/dbraw/zinc/32/42/16/797324216.db2.gz UAXRUVBULLJDIL-QWHCGFSZSA-N 1 2 325.844 2.194 20 30 EEEDLO C=CCOC(=O)C[C@H]([NH2+]C1CCC(CC#N)CC1)C(=O)OCC=C ZINC001173333267 797363367 /nfs/dbraw/zinc/36/33/67/797363367.db2.gz GAYNNNCNEQVWDC-GPANFISMSA-N 1 2 334.416 2.266 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001082261564 797381129 /nfs/dbraw/zinc/38/11/29/797381129.db2.gz URPLOMQHDWRDLH-HNNXBMFYSA-N 1 2 332.448 2.114 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000366710498 797393465 /nfs/dbraw/zinc/39/34/65/797393465.db2.gz PAIBNDZSCISPIG-XHSDSOJGSA-N 1 2 332.448 2.290 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H](N(C)c2[nH+]cnc3c2cnn3C)C1 ZINC001095151140 797431765 /nfs/dbraw/zinc/43/17/65/797431765.db2.gz SIZWOMSNMKQZTH-KGLIPLIRSA-N 1 2 342.447 2.003 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095175560 797467086 /nfs/dbraw/zinc/46/70/86/797467086.db2.gz GYPMYUASRWBKFP-LJQANCHMSA-N 1 2 344.459 2.028 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095185698 797496524 /nfs/dbraw/zinc/49/65/24/797496524.db2.gz HYJRBCAOWGGHQP-OAHLLOKOSA-N 1 2 332.448 2.032 20 30 EEEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1nonc1C ZINC001099292774 797550599 /nfs/dbraw/zinc/55/05/99/797550599.db2.gz XTSBNGXERHRXLT-ZDUSSCGKSA-N 1 2 340.855 2.280 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1nonc1C ZINC001099292774 797550601 /nfs/dbraw/zinc/55/06/01/797550601.db2.gz XTSBNGXERHRXLT-ZDUSSCGKSA-N 1 2 340.855 2.280 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](C[C@H](OC)c2ccccc2)C1 ZINC001031313939 797569953 /nfs/dbraw/zinc/56/99/53/797569953.db2.gz DOETYWPAPXVZSC-NRFANRHFSA-N 1 2 348.446 2.399 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c1 ZINC001095283692 797702147 /nfs/dbraw/zinc/70/21/47/797702147.db2.gz TWUACFMIYZAKOZ-AOIWGVFYSA-N 1 2 345.406 2.293 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c1 ZINC001095283692 797702150 /nfs/dbraw/zinc/70/21/50/797702150.db2.gz TWUACFMIYZAKOZ-AOIWGVFYSA-N 1 2 345.406 2.293 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(C(=O)NC)c2)[C@@H]1C ZINC000994437536 797995780 /nfs/dbraw/zinc/99/57/80/797995780.db2.gz HCRVSZVJATUGFP-XJKSGUPXSA-N 1 2 349.862 2.381 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C(=O)NC)c2)[C@@H]1C ZINC000994437536 797995784 /nfs/dbraw/zinc/99/57/84/797995784.db2.gz HCRVSZVJATUGFP-XJKSGUPXSA-N 1 2 349.862 2.381 20 30 EEEDLO CC(C)(F)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084147955 797998175 /nfs/dbraw/zinc/99/81/75/797998175.db2.gz IHRCUJTZKLVZMN-CZUORRHYSA-N 1 2 333.382 2.478 20 30 EEEDLO CC(C)(F)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084147955 797998178 /nfs/dbraw/zinc/99/81/78/797998178.db2.gz IHRCUJTZKLVZMN-CZUORRHYSA-N 1 2 333.382 2.478 20 30 EEEDLO O=S(=O)(NN=Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000917024535 798025036 /nfs/dbraw/zinc/02/50/36/798025036.db2.gz WYYIETHGGLSKIR-UHFFFAOYSA-N 1 2 326.381 2.185 20 30 EEEDLO C#CCOCCC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000154258598 798033916 /nfs/dbraw/zinc/03/39/16/798033916.db2.gz HEYXMQFLGIRKPL-UHFFFAOYSA-N 1 2 329.444 2.186 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)C2=COCCC2)CC1 ZINC001002428211 798045457 /nfs/dbraw/zinc/04/54/57/798045457.db2.gz PRMUOHDUYNZELB-UHFFFAOYSA-N 1 2 329.238 2.170 20 30 EEEDLO CCc1ocnc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084247139 798068093 /nfs/dbraw/zinc/06/80/93/798068093.db2.gz YERQMWMOTUPCRB-QZTJIDSGSA-N 1 2 349.434 2.435 20 30 EEEDLO CCc1ocnc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084247139 798068097 /nfs/dbraw/zinc/06/80/97/798068097.db2.gz YERQMWMOTUPCRB-QZTJIDSGSA-N 1 2 349.434 2.435 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3Cc4ccccc4O3)[C@@H]2C1 ZINC001084498577 798242287 /nfs/dbraw/zinc/24/22/87/798242287.db2.gz BOXMKQKAFIRFMD-INMHGKMJSA-N 1 2 332.831 2.275 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3Cc4ccccc4O3)[C@@H]2C1 ZINC001084498577 798242290 /nfs/dbraw/zinc/24/22/90/798242290.db2.gz BOXMKQKAFIRFMD-INMHGKMJSA-N 1 2 332.831 2.275 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000352081943 798274655 /nfs/dbraw/zinc/27/46/55/798274655.db2.gz ARGXIKSFZWUTML-ZWKOTPCHSA-N 1 2 347.422 2.380 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4nn(C)cc43)[C@@H]2C1 ZINC001084611454 798313688 /nfs/dbraw/zinc/31/36/88/798313688.db2.gz QZKUXRNDNLKJME-CKEIUWERSA-N 1 2 348.878 2.125 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4nn(C)cc43)[C@@H]2C1 ZINC001084611454 798313696 /nfs/dbraw/zinc/31/36/96/798313696.db2.gz QZKUXRNDNLKJME-CKEIUWERSA-N 1 2 348.878 2.125 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NCC[NH2+]Cc1nc(-c2ccoc2)no1 ZINC001128209057 798342435 /nfs/dbraw/zinc/34/24/35/798342435.db2.gz NBDJJWCIXBIJHZ-UHFFFAOYSA-N 1 2 338.795 2.314 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn4ccccc34)[C@@H]2C1 ZINC001084725499 798405454 /nfs/dbraw/zinc/40/54/54/798405454.db2.gz CMTCKYYPACIJSV-CZUORRHYSA-N 1 2 330.819 2.233 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn4ccccc34)[C@@H]2C1 ZINC001084725499 798405459 /nfs/dbraw/zinc/40/54/59/798405459.db2.gz CMTCKYYPACIJSV-CZUORRHYSA-N 1 2 330.819 2.233 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CCCO[C@@H]2C)CC1 ZINC001002687105 798453226 /nfs/dbraw/zinc/45/32/26/798453226.db2.gz FQDCXZBFXVJJLB-OCCSQVGLSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)C2CCC(O)CC2)CC1 ZINC001002687257 798453428 /nfs/dbraw/zinc/45/34/28/798453428.db2.gz HLQJQUXHUBRVKF-UHFFFAOYSA-N 1 2 345.281 2.027 20 30 EEEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)OC)c2C1 ZINC001128240832 798477764 /nfs/dbraw/zinc/47/77/64/798477764.db2.gz QZTUDRVKEBCYPP-HNNXBMFYSA-N 1 2 334.464 2.096 20 30 EEEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@H](C)OC)c2C1 ZINC001128240832 798477769 /nfs/dbraw/zinc/47/77/69/798477769.db2.gz QZTUDRVKEBCYPP-HNNXBMFYSA-N 1 2 334.464 2.096 20 30 EEEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@@H]2CC2(F)F)CC1 ZINC001002759457 798560661 /nfs/dbraw/zinc/56/06/61/798560661.db2.gz JPHTYSOFZPTEII-HNNXBMFYSA-N 1 2 337.345 2.433 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[NH2+]Cc1nc(Cc2ccccc2)no1 ZINC001128265027 798590269 /nfs/dbraw/zinc/59/02/69/798590269.db2.gz ZBAPRMPKNSFNGB-UHFFFAOYSA-N 1 2 342.443 2.469 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C)c3)C[C@H]21 ZINC001176900154 798641785 /nfs/dbraw/zinc/64/17/85/798641785.db2.gz HHJZEAXIFYELRY-MOPGFXCFSA-N 1 2 344.455 2.113 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C)c3)C[C@H]21 ZINC001176900154 798641788 /nfs/dbraw/zinc/64/17/88/798641788.db2.gz HHJZEAXIFYELRY-MOPGFXCFSA-N 1 2 344.455 2.113 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)CC(C)(C)C)C2)nn1 ZINC001098746385 798654635 /nfs/dbraw/zinc/65/46/35/798654635.db2.gz UQDAYXZQAAOQKS-NVXWUHKLSA-N 1 2 345.491 2.237 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC3=CCCCC3)C[C@H]21 ZINC001176943503 798678425 /nfs/dbraw/zinc/67/84/25/798678425.db2.gz KTCWNNHJALIQEK-RTBURBONSA-N 1 2 348.487 2.381 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC3=CCCCC3)C[C@H]21 ZINC001176943503 798678432 /nfs/dbraw/zinc/67/84/32/798678432.db2.gz KTCWNNHJALIQEK-RTBURBONSA-N 1 2 348.487 2.381 20 30 EEEDLO Cc1ccc(C[N@H+]2CCO[C@H]3CCN(C(=O)C#CC(C)C)C[C@H]32)cc1 ZINC001177002022 798690655 /nfs/dbraw/zinc/69/06/55/798690655.db2.gz XCVONAJSDDTXFT-UXHICEINSA-N 1 2 340.467 2.456 20 30 EEEDLO Cc1ccc(C[N@@H+]2CCO[C@H]3CCN(C(=O)C#CC(C)C)C[C@H]32)cc1 ZINC001177002022 798690658 /nfs/dbraw/zinc/69/06/58/798690658.db2.gz XCVONAJSDDTXFT-UXHICEINSA-N 1 2 340.467 2.456 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC(C)(C)CC(F)F)C[C@H]21 ZINC001177047878 798713944 /nfs/dbraw/zinc/71/39/44/798713944.db2.gz FXGGJKMEQFWYIN-HUUCEWRRSA-N 1 2 342.430 2.383 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC(C)(C)CC(F)F)C[C@H]21 ZINC001177047878 798713946 /nfs/dbraw/zinc/71/39/46/798713946.db2.gz FXGGJKMEQFWYIN-HUUCEWRRSA-N 1 2 342.430 2.383 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CCC(=C)CC3)C[C@H]21 ZINC001177095929 798746981 /nfs/dbraw/zinc/74/69/81/798746981.db2.gz SWQHSUFFOVWAGC-MOPGFXCFSA-N 1 2 348.487 2.237 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)C3CCC(=C)CC3)C[C@H]21 ZINC001177095929 798746984 /nfs/dbraw/zinc/74/69/84/798746984.db2.gz SWQHSUFFOVWAGC-MOPGFXCFSA-N 1 2 348.487 2.237 20 30 EEEDLO CC(C)C#CC(=O)N(Cc1ccccc1)CC1(O)C[NH+](C(C)C)C1 ZINC001177529407 799012300 /nfs/dbraw/zinc/01/23/00/799012300.db2.gz IUZZYYFQWVHJQQ-UHFFFAOYSA-N 1 2 328.456 2.130 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)Cc2csc(-c3ccc(O)cc3)n2)CC1 ZINC001177984461 799221082 /nfs/dbraw/zinc/22/10/82/799221082.db2.gz IMVSJWFASPEKQH-UHFFFAOYSA-N 1 2 343.452 2.388 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCC)C2)CC1 ZINC001065680065 799333670 /nfs/dbraw/zinc/33/36/70/799333670.db2.gz GCNKBEZDXHRJNP-INIZCTEOSA-N 1 2 335.492 2.134 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H](C)CC)CC2)C1 ZINC001065704561 799351247 /nfs/dbraw/zinc/35/12/47/799351247.db2.gz NDJOBZRMQWSZJP-IRXDYDNUSA-N 1 2 349.519 2.380 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C3CC(C)C3)CC2)C1 ZINC001065704704 799352279 /nfs/dbraw/zinc/35/22/79/799352279.db2.gz QOXDFBRNGQBJNE-DAWZGUTISA-N 1 2 347.503 2.134 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C3CCCC3)CC2)C1 ZINC001065705048 799352536 /nfs/dbraw/zinc/35/25/36/799352536.db2.gz VFAWLBWHOHZZCX-SFHVURJKSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCC(=C)C)C2)CC1 ZINC001065707296 799356910 /nfs/dbraw/zinc/35/69/10/799356910.db2.gz RSGDUDPOZIHSLH-KRWDZBQOSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC(C)(C)C)C2)CC1 ZINC001065688692 799360694 /nfs/dbraw/zinc/36/06/94/799360694.db2.gz MRZRZSKMOVJPDX-MRXNPFEDSA-N 1 2 335.492 2.134 20 30 EEEDLO C=C(C)CCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC3(C)C)C2)CC1 ZINC001065700050 799388641 /nfs/dbraw/zinc/38/86/41/799388641.db2.gz QXBZOKHZVUMRER-DLBZAZTESA-N 1 2 347.503 2.134 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@]2(C)OCCc3ccccc32)C1 ZINC001016383437 799448962 /nfs/dbraw/zinc/44/89/62/799448962.db2.gz HTYFZVZSOYWIDV-CRAIPNDOSA-N 1 2 334.847 2.418 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)OCCc3ccccc32)C1 ZINC001016383437 799448965 /nfs/dbraw/zinc/44/89/65/799448965.db2.gz HTYFZVZSOYWIDV-CRAIPNDOSA-N 1 2 334.847 2.418 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCO[C@H](CNC(=O)CC3CC3)C2)c1 ZINC001149038801 799684385 /nfs/dbraw/zinc/68/43/85/799684385.db2.gz UXAANVWQVMVEJL-QGZVFWFLSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCO[C@H](CNC(=O)CC3CC3)C2)c1 ZINC001149038801 799684390 /nfs/dbraw/zinc/68/43/90/799684390.db2.gz UXAANVWQVMVEJL-QGZVFWFLSA-N 1 2 345.418 2.205 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)C[C@@H]2CC[C@H](C)O2)CC1 ZINC001003554494 799818261 /nfs/dbraw/zinc/81/82/61/799818261.db2.gz DWSCBZPIUFTHRR-JSGCOSHPSA-N 1 2 345.281 2.433 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001066112851 800022389 /nfs/dbraw/zinc/02/23/89/800022389.db2.gz HQWXMWGRHJVYKT-KXBFYZLASA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cnoc2CC)CC1 ZINC001003722739 800066298 /nfs/dbraw/zinc/06/62/98/800066298.db2.gz LYKJXPPIEZAUKT-UHFFFAOYSA-N 1 2 342.237 2.340 20 30 EEEDLO Cc1nc(N2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)c(C)c(C)[nH+]1 ZINC001061324757 800207547 /nfs/dbraw/zinc/20/75/47/800207547.db2.gz ZDUAGILRIOBXNU-INIZCTEOSA-N 1 2 338.415 2.000 20 30 EEEDLO C=CCC1(C(=O)NCc2cnn3c2C[N@H+](CCCF)CC3)CCC1 ZINC001128484925 800272535 /nfs/dbraw/zinc/27/25/35/800272535.db2.gz VXASMMBLCBXJAO-UHFFFAOYSA-N 1 2 334.439 2.421 20 30 EEEDLO C=CCC1(C(=O)NCc2cnn3c2C[N@@H+](CCCF)CC3)CCC1 ZINC001128484925 800272539 /nfs/dbraw/zinc/27/25/39/800272539.db2.gz VXASMMBLCBXJAO-UHFFFAOYSA-N 1 2 334.439 2.421 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)no1 ZINC001032890170 800277547 /nfs/dbraw/zinc/27/75/47/800277547.db2.gz GQBKHQPKOYDYOL-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)no1 ZINC001032890170 800277548 /nfs/dbraw/zinc/27/75/48/800277548.db2.gz GQBKHQPKOYDYOL-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)[nH]n1 ZINC001032936780 800460085 /nfs/dbraw/zinc/46/00/85/800460085.db2.gz QVHDEDFIBMIHBP-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)[nH]n1 ZINC001032936780 800460089 /nfs/dbraw/zinc/46/00/89/800460089.db2.gz QVHDEDFIBMIHBP-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)n[nH]1 ZINC001032936780 800460094 /nfs/dbraw/zinc/46/00/94/800460094.db2.gz QVHDEDFIBMIHBP-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)n[nH]1 ZINC001032936780 800460098 /nfs/dbraw/zinc/46/00/98/800460098.db2.gz QVHDEDFIBMIHBP-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C[C@H]1O ZINC001099976603 800477938 /nfs/dbraw/zinc/47/79/38/800477938.db2.gz PDKTXKXBZRKFMY-HUUCEWRRSA-N 1 2 337.851 2.143 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C[C@H]1O ZINC001099976603 800477941 /nfs/dbraw/zinc/47/79/41/800477941.db2.gz PDKTXKXBZRKFMY-HUUCEWRRSA-N 1 2 337.851 2.143 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001066257690 800514767 /nfs/dbraw/zinc/51/47/67/800514767.db2.gz BEGQQKJZHOGOJU-HNNXBMFYSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001066257690 800514774 /nfs/dbraw/zinc/51/47/74/800514774.db2.gz BEGQQKJZHOGOJU-HNNXBMFYSA-N 1 2 346.475 2.442 20 30 EEEDLO C#Cc1ccc(C(=O)NC2CC[NH+](Cc3nc(C)c(C)o3)CC2)nc1 ZINC001004005739 800770141 /nfs/dbraw/zinc/77/01/41/800770141.db2.gz XYJRKYCEESFMIY-UHFFFAOYSA-N 1 2 338.411 2.062 20 30 EEEDLO C[C@H](CCCCNc1ccc(C#N)nc1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001090076264 801173953 /nfs/dbraw/zinc/17/39/53/801173953.db2.gz LGGFCFNNBJIDAI-CQSZACIVSA-N 1 2 340.431 2.396 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(OC)nc2)cc1 ZINC001085756607 801196693 /nfs/dbraw/zinc/19/66/93/801196693.db2.gz MTSBOZIXOIESJS-LJQANCHMSA-N 1 2 349.434 2.418 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(OC)nc2)cc1 ZINC001085756607 801196698 /nfs/dbraw/zinc/19/66/98/801196698.db2.gz MTSBOZIXOIESJS-LJQANCHMSA-N 1 2 349.434 2.418 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C)ns1 ZINC001085827224 801370044 /nfs/dbraw/zinc/37/00/44/801370044.db2.gz LNECZQBDQHAFDW-BMFZPTHFSA-N 1 2 335.473 2.075 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C)ns1 ZINC001085827224 801370051 /nfs/dbraw/zinc/37/00/51/801370051.db2.gz LNECZQBDQHAFDW-BMFZPTHFSA-N 1 2 335.473 2.075 20 30 EEEDLO C[C@H](CCCCNc1ccc(C#N)cn1)NC(=O)Cc1c[nH+]cn1C ZINC001090099898 801592561 /nfs/dbraw/zinc/59/25/61/801592561.db2.gz OJQFTUZAPRCSEP-CQSZACIVSA-N 1 2 340.431 2.016 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2cncc(C)c2)cn1 ZINC001085932728 801690234 /nfs/dbraw/zinc/69/02/34/801690234.db2.gz HMVWTQTZWHBVEF-IBGZPJMESA-N 1 2 334.423 2.113 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2cncc(C)c2)cn1 ZINC001085932728 801690238 /nfs/dbraw/zinc/69/02/38/801690238.db2.gz HMVWTQTZWHBVEF-IBGZPJMESA-N 1 2 334.423 2.113 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001066347980 801747755 /nfs/dbraw/zinc/74/77/55/801747755.db2.gz LZFRIORARSCTBD-QFBILLFUSA-N 1 2 346.475 2.373 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC12COC2 ZINC001183832328 801761816 /nfs/dbraw/zinc/76/18/16/801761816.db2.gz UOTDUQHJBBFYFS-GOSISDBHSA-N 1 2 339.439 2.304 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC12COC2 ZINC001183832328 801761824 /nfs/dbraw/zinc/76/18/24/801761824.db2.gz UOTDUQHJBBFYFS-GOSISDBHSA-N 1 2 339.439 2.304 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccnn2C2CCC2)CC1 ZINC001004440283 802049503 /nfs/dbraw/zinc/04/95/03/802049503.db2.gz YTDNPPUQLYHUOJ-KRWDZBQOSA-N 1 2 341.459 2.448 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccnn2C2CCC2)CC1 ZINC001004440283 802049509 /nfs/dbraw/zinc/04/95/09/802049509.db2.gz YTDNPPUQLYHUOJ-KRWDZBQOSA-N 1 2 341.459 2.448 20 30 EEEDLO COCc1ccc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)o1 ZINC001004486296 802189626 /nfs/dbraw/zinc/18/96/26/802189626.db2.gz UWXIBKILHABLRN-MRXNPFEDSA-N 1 2 331.416 2.266 20 30 EEEDLO COCc1ccc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)o1 ZINC001004486296 802189630 /nfs/dbraw/zinc/18/96/30/802189630.db2.gz UWXIBKILHABLRN-MRXNPFEDSA-N 1 2 331.416 2.266 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001108243799 802221198 /nfs/dbraw/zinc/22/11/98/802221198.db2.gz ZKNWFAKYPBWVNB-KRWDZBQOSA-N 1 2 340.826 2.415 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001108243799 802221205 /nfs/dbraw/zinc/22/12/05/802221205.db2.gz ZKNWFAKYPBWVNB-KRWDZBQOSA-N 1 2 340.826 2.415 20 30 EEEDLO CC#CCCCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(C3CC3)no2)C1 ZINC001185007329 802285416 /nfs/dbraw/zinc/28/54/16/802285416.db2.gz PAIKQBXRAUZYNK-UKRRQHHQSA-N 1 2 330.432 2.392 20 30 EEEDLO CCOC1CC(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004529231 802323289 /nfs/dbraw/zinc/32/32/89/802323289.db2.gz RJIFLWJAIZVHHP-VJFUWPCTSA-N 1 2 333.476 2.418 20 30 EEEDLO CCOC1CC(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004529231 802323294 /nfs/dbraw/zinc/32/32/94/802323294.db2.gz RJIFLWJAIZVHHP-VJFUWPCTSA-N 1 2 333.476 2.418 20 30 EEEDLO CC(C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110357424 802327409 /nfs/dbraw/zinc/32/74/09/802327409.db2.gz RLAGRGRPSVZXCK-NXHRZFHOSA-N 1 2 345.418 2.344 20 30 EEEDLO CC(C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110357424 802327415 /nfs/dbraw/zinc/32/74/15/802327415.db2.gz RLAGRGRPSVZXCK-NXHRZFHOSA-N 1 2 345.418 2.344 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2Cc3ccncc3C2)CC1 ZINC001004546556 802345645 /nfs/dbraw/zinc/34/56/45/802345645.db2.gz IRFCEOWUKINNEF-PKOBYXMFSA-N 1 2 338.455 2.023 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2Cc3ccncc3C2)CC1 ZINC001004546556 802345655 /nfs/dbraw/zinc/34/56/55/802345655.db2.gz IRFCEOWUKINNEF-PKOBYXMFSA-N 1 2 338.455 2.023 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2coc(CC3CC3)n2)CC1 ZINC001004593482 802443779 /nfs/dbraw/zinc/44/37/79/802443779.db2.gz TYEUJBXLDHMQPN-KRWDZBQOSA-N 1 2 342.443 2.467 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2coc(CC3CC3)n2)CC1 ZINC001004593482 802443784 /nfs/dbraw/zinc/44/37/84/802443784.db2.gz TYEUJBXLDHMQPN-KRWDZBQOSA-N 1 2 342.443 2.467 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC001185304757 802451168 /nfs/dbraw/zinc/45/11/68/802451168.db2.gz MJAAFDXLJPOLTJ-MRXNPFEDSA-N 1 2 339.443 2.314 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2cscn2)CC1 ZINC001004622890 802484653 /nfs/dbraw/zinc/48/46/53/802484653.db2.gz GKLZAAVXUYYXBX-MRXNPFEDSA-N 1 2 332.473 2.302 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2cscn2)CC1 ZINC001004622890 802484657 /nfs/dbraw/zinc/48/46/57/802484657.db2.gz GKLZAAVXUYYXBX-MRXNPFEDSA-N 1 2 332.473 2.302 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001066462534 802620182 /nfs/dbraw/zinc/62/01/82/802620182.db2.gz HYUXWBVEQARVFY-INIZCTEOSA-N 1 2 346.475 2.206 20 30 EEEDLO CN(C(=O)c1ccsn1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033183047 802994684 /nfs/dbraw/zinc/99/46/84/802994684.db2.gz RKYJUSYWRGDAKH-OAHLLOKOSA-N 1 2 326.425 2.361 20 30 EEEDLO CN(C(=O)c1ccsn1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033183047 802994688 /nfs/dbraw/zinc/99/46/88/802994688.db2.gz RKYJUSYWRGDAKH-OAHLLOKOSA-N 1 2 326.425 2.361 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(c3ccccc3)CCC2)[C@@H](O)C1 ZINC001090418356 803327898 /nfs/dbraw/zinc/32/78/98/803327898.db2.gz XQTBCCDZYLFWEU-IRXDYDNUSA-N 1 2 348.874 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(c3ccccc3)CCC2)[C@@H](O)C1 ZINC001090418356 803327907 /nfs/dbraw/zinc/32/79/07/803327907.db2.gz XQTBCCDZYLFWEU-IRXDYDNUSA-N 1 2 348.874 2.412 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001108346530 803329469 /nfs/dbraw/zinc/32/94/69/803329469.db2.gz OWWWZQUBAPBDGS-NRFANRHFSA-N 1 2 338.451 2.490 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001108346530 803329478 /nfs/dbraw/zinc/32/94/78/803329478.db2.gz OWWWZQUBAPBDGS-NRFANRHFSA-N 1 2 338.451 2.490 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001108429470 803543026 /nfs/dbraw/zinc/54/30/26/803543026.db2.gz INPHGTPNEFUPKI-LPHOPBHVSA-N 1 2 346.858 2.210 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001108429470 803543028 /nfs/dbraw/zinc/54/30/28/803543028.db2.gz INPHGTPNEFUPKI-LPHOPBHVSA-N 1 2 346.858 2.210 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001108429472 803543219 /nfs/dbraw/zinc/54/32/19/803543219.db2.gz INPHGTPNEFUPKI-VQIMIIECSA-N 1 2 346.858 2.210 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001108429472 803543222 /nfs/dbraw/zinc/54/32/22/803543222.db2.gz INPHGTPNEFUPKI-VQIMIIECSA-N 1 2 346.858 2.210 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109073088 804909819 /nfs/dbraw/zinc/90/98/19/804909819.db2.gz YGRNETZMWKVWGG-NJAFHUGGSA-N 1 2 343.402 2.121 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109073088 804909822 /nfs/dbraw/zinc/90/98/22/804909822.db2.gz YGRNETZMWKVWGG-NJAFHUGGSA-N 1 2 343.402 2.121 20 30 EEEDLO Cc1ccc(C#N)c(N(C)C[C@@H](C)NC(=O)c2cccc3[nH+]ccn32)n1 ZINC001109151563 805024573 /nfs/dbraw/zinc/02/45/73/805024573.db2.gz IESFTTWIVHKYGI-CQSZACIVSA-N 1 2 348.410 2.164 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)sc1C ZINC001109212294 805127067 /nfs/dbraw/zinc/12/70/67/805127067.db2.gz AEBWKASKZONTRC-OAOQPFQOSA-N 1 2 349.500 2.309 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)sc1C ZINC001109212294 805127070 /nfs/dbraw/zinc/12/70/70/805127070.db2.gz AEBWKASKZONTRC-OAOQPFQOSA-N 1 2 349.500 2.309 20 30 EEEDLO Cc1nc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC2CC2)C3)sc1C ZINC001109251773 805195007 /nfs/dbraw/zinc/19/50/07/805195007.db2.gz KIUQNPIFRZTRAT-PMPSAXMXSA-N 1 2 329.469 2.395 20 30 EEEDLO Cc1nc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC2CC2)C3)sc1C ZINC001109251773 805195010 /nfs/dbraw/zinc/19/50/10/805195010.db2.gz KIUQNPIFRZTRAT-PMPSAXMXSA-N 1 2 329.469 2.395 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC2CC2)C3)c(F)c1 ZINC001109254959 805196582 /nfs/dbraw/zinc/19/65/82/805196582.db2.gz GVPDSUSGJOAYEI-NEWSRXKRSA-N 1 2 337.398 2.332 20 30 EEEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC2CC2)C3)c(F)c1 ZINC001109254959 805196585 /nfs/dbraw/zinc/19/65/85/805196585.db2.gz GVPDSUSGJOAYEI-NEWSRXKRSA-N 1 2 337.398 2.332 20 30 EEEDLO C[C@H](CN(C)c1cccc(F)c1C#N)NC(=O)CCc1[nH+]ccn1C ZINC001109331947 805309532 /nfs/dbraw/zinc/30/95/32/805309532.db2.gz QIEQFKQHEYMUCC-CYBMUJFWSA-N 1 2 343.406 2.005 20 30 EEEDLO CN(C)c1cccc(C[NH+]2CCN(C(=O)C#CC(C)(C)C)CC2)c1 ZINC001112832454 807356231 /nfs/dbraw/zinc/35/62/31/807356231.db2.gz XYRAGWSKXQBPDQ-UHFFFAOYSA-N 1 2 327.472 2.446 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC001112846209 807403027 /nfs/dbraw/zinc/40/30/27/807403027.db2.gz INJOMGPKKBQWFH-KXBFYZLASA-N 1 2 344.430 2.386 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](C)OCCCCCC)CC1 ZINC001112850845 807432811 /nfs/dbraw/zinc/43/28/11/807432811.db2.gz IESHSYFQCTWDBD-QGZVFWFLSA-N 1 2 326.481 2.319 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc3cc(C)cn3c2)CC1 ZINC001112937121 807646826 /nfs/dbraw/zinc/64/68/26/807646826.db2.gz UWMBVYPDUXLOSF-UHFFFAOYSA-N 1 2 327.428 2.208 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(C3CC3)c2)[C@H](O)C1 ZINC001090446203 807966159 /nfs/dbraw/zinc/96/61/59/807966159.db2.gz PTDJSHDCGIXHEN-QZTJIDSGSA-N 1 2 348.874 2.410 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cccc(C3CC3)c2)[C@H](O)C1 ZINC001090446203 807966164 /nfs/dbraw/zinc/96/61/64/807966164.db2.gz PTDJSHDCGIXHEN-QZTJIDSGSA-N 1 2 348.874 2.410 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001113164651 808319335 /nfs/dbraw/zinc/31/93/35/808319335.db2.gz VUVUSQGACVYNOL-GOSISDBHSA-N 1 2 326.481 2.032 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001113185120 808403324 /nfs/dbraw/zinc/40/33/24/808403324.db2.gz DRSGFDBSXLACFK-KBPBESRZSA-N 1 2 345.491 2.372 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001113185120 808403328 /nfs/dbraw/zinc/40/33/28/808403328.db2.gz DRSGFDBSXLACFK-KBPBESRZSA-N 1 2 345.491 2.372 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001113185429 808404429 /nfs/dbraw/zinc/40/44/29/808404429.db2.gz ITBQBBXWXBLIES-NWDGAFQWSA-N 1 2 330.436 2.271 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001113316340 808713950 /nfs/dbraw/zinc/71/39/50/808713950.db2.gz GTDKIYMIWHOFKJ-KGLIPLIRSA-N 1 2 345.491 2.372 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001113316340 808713952 /nfs/dbraw/zinc/71/39/52/808713952.db2.gz GTDKIYMIWHOFKJ-KGLIPLIRSA-N 1 2 345.491 2.372 20 30 EEEDLO CCCCCCC[NH+]1CCN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC001113532821 809171866 /nfs/dbraw/zinc/17/18/66/809171866.db2.gz GVSMAVADBHQIGY-HNNXBMFYSA-N 1 2 333.480 2.024 20 30 EEEDLO CCCCCCC[NH+]1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC001113532821 809171871 /nfs/dbraw/zinc/17/18/71/809171871.db2.gz GVSMAVADBHQIGY-HNNXBMFYSA-N 1 2 333.480 2.024 20 30 EEEDLO Cc1cc(N(C)[C@H](C)CNC(=O)c2ccc(C#N)[nH]2)nc(C(C)C)[nH+]1 ZINC001113571117 809249374 /nfs/dbraw/zinc/24/93/74/809249374.db2.gz YNFIABKUCBKLPX-CYBMUJFWSA-N 1 2 340.431 2.363 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1CN(c2cc[nH+]c(C)n2)CC[C@H]1C ZINC001114006773 810182689 /nfs/dbraw/zinc/18/26/89/810182689.db2.gz YTPOBCATYQTVEX-ZBFHGGJFSA-N 1 2 332.448 2.099 20 30 EEEDLO Cc1cc(N2CC[C@@H](C)[C@@H](NC(=O)C#CC3CC3)C2)nc(C2CC2)[nH+]1 ZINC001114022815 810201177 /nfs/dbraw/zinc/20/11/77/810201177.db2.gz YUYXOGQZZUNWFE-DYVFJYSZSA-N 1 2 338.455 2.407 20 30 EEEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(-c4ccccc4)no3)C[C@H]21 ZINC001114025237 810228231 /nfs/dbraw/zinc/22/82/31/810228231.db2.gz JLJNGWQGVPRWML-HWWDLCQESA-N 1 2 338.411 2.249 20 30 EEEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(-c4ccccc4)no3)C[C@H]21 ZINC001114025237 810228233 /nfs/dbraw/zinc/22/82/33/810228233.db2.gz JLJNGWQGVPRWML-HWWDLCQESA-N 1 2 338.411 2.249 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)CC[C@H]1C ZINC001114040651 810251697 /nfs/dbraw/zinc/25/16/97/810251697.db2.gz ZXGSVMNTZKJWKU-UKRRQHHQSA-N 1 2 342.447 2.051 20 30 EEEDLO CCC(CC)n1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)C)n1 ZINC001114248114 810675609 /nfs/dbraw/zinc/67/56/09/810675609.db2.gz TXKNHCPEBQFIAZ-RUYXUALKSA-N 1 2 342.487 2.450 20 30 EEEDLO CCC(CC)n1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)C)n1 ZINC001114248114 810675612 /nfs/dbraw/zinc/67/56/12/810675612.db2.gz TXKNHCPEBQFIAZ-RUYXUALKSA-N 1 2 342.487 2.450 20 30 EEEDLO CCCC[C@H](CNc1ccc(C#N)cn1)NC(=O)Cc1[nH]c[nH+]c1C ZINC001114269541 810718357 /nfs/dbraw/zinc/71/83/57/810718357.db2.gz IGAHDZVZJRXRML-OAHLLOKOSA-N 1 2 340.431 2.314 20 30 EEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccccc1SCC#N ZINC000804438005 810864158 /nfs/dbraw/zinc/86/41/58/810864158.db2.gz KLIQYGKIEADUOQ-HUUCEWRRSA-N 1 2 345.468 2.237 20 30 EEEDLO C=CCCC[N@@H+]1Cc2cnn(C3CCN(C(=O)[C@@H](C)C#N)CC3)c2C1 ZINC001130166698 811254450 /nfs/dbraw/zinc/25/44/50/811254450.db2.gz KIDVLHJQEBWBTL-HNNXBMFYSA-N 1 2 341.459 2.488 20 30 EEEDLO C=CCCC[N@H+]1Cc2cnn(C3CCN(C(=O)[C@@H](C)C#N)CC3)c2C1 ZINC001130166698 811254457 /nfs/dbraw/zinc/25/44/57/811254457.db2.gz KIDVLHJQEBWBTL-HNNXBMFYSA-N 1 2 341.459 2.488 20 30 EEEDLO CC[N@@H+]1CCO[C@H](C(=O)OCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000805473513 811305659 /nfs/dbraw/zinc/30/56/59/811305659.db2.gz WIZICFXMQLLPKP-HNNXBMFYSA-N 1 2 341.329 2.321 20 30 EEEDLO CC[N@H+]1CCO[C@H](C(=O)OCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000805473513 811305668 /nfs/dbraw/zinc/30/56/68/811305668.db2.gz WIZICFXMQLLPKP-HNNXBMFYSA-N 1 2 341.329 2.321 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)O[C@@]2(CC[N@H+](Cc3cscn3)C2)C1 ZINC001131650922 813080635 /nfs/dbraw/zinc/08/06/35/813080635.db2.gz YMBBKRDOCMXJHI-WMLDXEAASA-N 1 2 335.473 2.301 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)O[C@@]2(CC[N@@H+](Cc3cscn3)C2)C1 ZINC001131650922 813080644 /nfs/dbraw/zinc/08/06/44/813080644.db2.gz YMBBKRDOCMXJHI-WMLDXEAASA-N 1 2 335.473 2.301 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)C2CCCCC2)C1 ZINC001436692975 1088149299 /nfs/dbraw/zinc/14/92/99/1088149299.db2.gz QJCOAFOOLBORHR-OAHLLOKOSA-N 1 2 341.883 2.016 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)C2CCCCC2)C1 ZINC001436692975 1088149317 /nfs/dbraw/zinc/14/93/17/1088149317.db2.gz QJCOAFOOLBORHR-OAHLLOKOSA-N 1 2 341.883 2.016 20 30 EEEDLO CCC[N@H+](CCNC(=O)c1cc(C#N)c[nH]1)Cc1nc(C)c(C)o1 ZINC001437748589 1090314413 /nfs/dbraw/zinc/31/44/13/1090314413.db2.gz ACFBBXAVPOAWAU-UHFFFAOYSA-N 1 2 329.404 2.133 20 30 EEEDLO CCC[N@@H+](CCNC(=O)c1cc(C#N)c[nH]1)Cc1nc(C)c(C)o1 ZINC001437748589 1090314421 /nfs/dbraw/zinc/31/44/21/1090314421.db2.gz ACFBBXAVPOAWAU-UHFFFAOYSA-N 1 2 329.404 2.133 20 30 EEEDLO Cc1noc([C@@H](C)[NH2+]CCN(Cc2ccccc2)C(=O)[C@H](C)C#N)n1 ZINC001440128039 1093191052 /nfs/dbraw/zinc/19/10/52/1093191052.db2.gz NYEPSSLFOXIMIT-ZIAGYGMSSA-N 1 2 341.415 2.217 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CCCc2nc(C)no2)C1 ZINC001443874324 1098399611 /nfs/dbraw/zinc/39/96/11/1098399611.db2.gz IRBFRKITVIMWFF-AWEZNQCLSA-N 1 2 340.855 2.376 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CCCc2nc(C)no2)C1 ZINC001443874324 1098399619 /nfs/dbraw/zinc/39/96/19/1098399619.db2.gz IRBFRKITVIMWFF-AWEZNQCLSA-N 1 2 340.855 2.376 20 30 EEEDLO CC(C)c1noc([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)c2cc(C#N)c[nH]2)n1 ZINC001496031150 1101958114 /nfs/dbraw/zinc/95/81/14/1101958114.db2.gz KMHPSTQTMKSUEL-NEPJUHHUSA-N 1 2 344.419 2.204 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cn1nc(C)cc1C(F)F)C1CC1 ZINC001493373531 1108013969 /nfs/dbraw/zinc/01/39/69/1108013969.db2.gz GEVONEUNOGSDRV-UHFFFAOYSA-N 1 2 346.809 2.462 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)Cn1nc(C)cc1C(F)F)C1CC1 ZINC001493373531 1108013981 /nfs/dbraw/zinc/01/39/81/1108013981.db2.gz GEVONEUNOGSDRV-UHFFFAOYSA-N 1 2 346.809 2.462 20 30 EEEDLO COCC[N@H+](CCNC(=O)C(C)(C)C)Cc1cc(C#N)ccc1OC ZINC001508055765 1115405135 /nfs/dbraw/zinc/40/51/35/1115405135.db2.gz KRDSFEHULSHGFO-UHFFFAOYSA-N 1 2 347.459 2.178 20 30 EEEDLO COCC[N@@H+](CCNC(=O)C(C)(C)C)Cc1cc(C#N)ccc1OC ZINC001508055765 1115405136 /nfs/dbraw/zinc/40/51/36/1115405136.db2.gz KRDSFEHULSHGFO-UHFFFAOYSA-N 1 2 347.459 2.178 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N(CCC#N)CCOC ZINC001524347590 1120070385 /nfs/dbraw/zinc/07/03/85/1120070385.db2.gz SPCYWAMCZXWVGO-UHFFFAOYSA-N 1 2 346.479 2.207 20 30 EEEDLO Cc1cc2ncc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)c(C)n2n1 ZINC000328960781 539764692 /nfs/dbraw/zinc/76/46/92/539764692.db2.gz QLTXDZCHMVUKOD-UHFFFAOYSA-N 1 2 342.428 2.427 20 30 EEEDLO Cc1cc2ncc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)c(C)n2n1 ZINC000328960781 539764700 /nfs/dbraw/zinc/76/47/00/539764700.db2.gz QLTXDZCHMVUKOD-UHFFFAOYSA-N 1 2 342.428 2.427 20 30 EEEDLO O=C(NCc1cn2ccccc2[nH+]1)N1CCC2(CNC(=O)C2)CC1 ZINC000329310385 539771262 /nfs/dbraw/zinc/77/12/62/539771262.db2.gz QVZUQFFXVOOEFA-UHFFFAOYSA-N 1 2 327.388 2.191 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cn2cc(Cl)ccc2n1 ZINC000096971833 237062967 /nfs/dbraw/zinc/06/29/67/237062967.db2.gz BJXXLWMGHRVXOG-UHFFFAOYSA-N 1 2 347.850 2.036 20 30 EEEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C[C@H]1C ZINC000191855561 239343868 /nfs/dbraw/zinc/34/38/68/239343868.db2.gz PBLIAFQUXVJAIU-ZWNOBZJWSA-N 1 2 349.456 2.306 20 30 EEEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C[C@H]1C ZINC000191855561 239343873 /nfs/dbraw/zinc/34/38/73/239343873.db2.gz PBLIAFQUXVJAIU-ZWNOBZJWSA-N 1 2 349.456 2.306 20 30 EEEDLO C#C[C@@H](CC)NC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000491361217 246005204 /nfs/dbraw/zinc/00/52/04/246005204.db2.gz JNIDGXVDUAFMBV-HNNXBMFYSA-N 1 2 348.406 2.068 20 30 EEEDLO C#C[C@@H](C)N(C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000491622348 246085484 /nfs/dbraw/zinc/08/54/84/246085484.db2.gz DUQNZOYJDWWVFG-CQSZACIVSA-N 1 2 334.489 2.267 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(C)cc2OC)n1 ZINC000491773916 246145093 /nfs/dbraw/zinc/14/50/93/246145093.db2.gz WCFNYCJGGXQXBT-UHFFFAOYSA-N 1 2 327.428 2.482 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(C)cc2OC)n1 ZINC000491773916 246145099 /nfs/dbraw/zinc/14/50/99/246145099.db2.gz WCFNYCJGGXQXBT-UHFFFAOYSA-N 1 2 327.428 2.482 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000494920249 247037150 /nfs/dbraw/zinc/03/71/50/247037150.db2.gz IXJBZAPHEUEDOL-NMCNPDOESA-N 1 2 349.500 2.299 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000494920249 247037156 /nfs/dbraw/zinc/03/71/56/247037156.db2.gz IXJBZAPHEUEDOL-NMCNPDOESA-N 1 2 349.500 2.299 20 30 EEEDLO COC(=O)N1CCN(c2ccc(N[C@H]3CC[C@H](C#N)C3)c[nH+]2)CC1 ZINC000495674416 247216697 /nfs/dbraw/zinc/21/66/97/247216697.db2.gz YSLPBWCUZYZGOA-KBPBESRZSA-N 1 2 329.404 2.074 20 30 EEEDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000267442713 251061652 /nfs/dbraw/zinc/06/16/52/251061652.db2.gz ZAYXYQLRYYUSNV-MRXNPFEDSA-N 1 2 340.876 2.095 20 30 EEEDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000267442713 251061656 /nfs/dbraw/zinc/06/16/56/251061656.db2.gz ZAYXYQLRYYUSNV-MRXNPFEDSA-N 1 2 340.876 2.095 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCS3)n2CC(C)C)CC1 ZINC000491782255 533158500 /nfs/dbraw/zinc/15/85/00/533158500.db2.gz IBNVHCXSPCGKSE-OAHLLOKOSA-N 1 2 333.505 2.257 20 30 EEEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000268052384 256108092 /nfs/dbraw/zinc/10/80/92/256108092.db2.gz UHCQAEWWBBZRRL-CQSZACIVSA-N 1 2 346.862 2.345 20 30 EEEDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000328640935 258023711 /nfs/dbraw/zinc/02/37/11/258023711.db2.gz XQOQTGNMERJSEK-UHFFFAOYSA-N 1 2 348.403 2.051 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ncccc3C#N)CC2)no1 ZINC000328656636 258018607 /nfs/dbraw/zinc/01/86/07/258018607.db2.gz ZMYGHUHBOYYMMK-HNNXBMFYSA-N 1 2 326.404 2.136 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ncccc3C#N)CC2)no1 ZINC000328656636 258018608 /nfs/dbraw/zinc/01/86/08/258018608.db2.gz ZMYGHUHBOYYMMK-HNNXBMFYSA-N 1 2 326.404 2.136 20 30 EEEDLO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115596385 152032709 /nfs/dbraw/zinc/03/27/09/152032709.db2.gz UBJOLSZODJSZFG-XIKOKIGWSA-N 1 2 336.395 2.394 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H](O)COc3ccccc3)CCO2)c1 ZINC000341815352 161015933 /nfs/dbraw/zinc/01/59/33/161015933.db2.gz WZSNIJUZPZHQBK-AZUAARDMSA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H](O)COc3ccccc3)CCO2)c1 ZINC000341815352 161015934 /nfs/dbraw/zinc/01/59/34/161015934.db2.gz WZSNIJUZPZHQBK-AZUAARDMSA-N 1 2 338.407 2.371 20 30 EEEDLO C[N@H+](Cc1ccc(Br)cc1C#N)[C@@H]1CCCCNC1=O ZINC000367847706 166009905 /nfs/dbraw/zinc/00/99/05/166009905.db2.gz IVAWLVJHJGKRKL-CQSZACIVSA-N 1 2 336.233 2.421 20 30 EEEDLO C[N@@H+](Cc1ccc(Br)cc1C#N)[C@@H]1CCCCNC1=O ZINC000367847706 166009906 /nfs/dbraw/zinc/00/99/06/166009906.db2.gz IVAWLVJHJGKRKL-CQSZACIVSA-N 1 2 336.233 2.421 20 30 EEEDLO Cc1cc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c(C)c[nH+]1 ZINC000534325755 270022633 /nfs/dbraw/zinc/02/26/33/270022633.db2.gz LNCUQHBAXFWKOA-UHFFFAOYSA-N 1 2 349.438 2.342 20 30 EEEDLO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000295601176 266256301 /nfs/dbraw/zinc/25/63/01/266256301.db2.gz NDKOASYSGSYXMB-LFPIHBKWSA-N 1 2 348.468 2.395 20 30 EEEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ncc(C#N)cc1Cl ZINC000332291169 266576186 /nfs/dbraw/zinc/57/61/86/266576186.db2.gz JLALGUFRJMKCOH-UHFFFAOYSA-N 1 2 329.791 2.412 20 30 EEEDLO CCCNC(=O)C[N@H+](CCC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441218914 267023854 /nfs/dbraw/zinc/02/38/54/267023854.db2.gz UXMNPUSGZZGMPG-UHFFFAOYSA-N 1 2 341.415 2.346 20 30 EEEDLO CCCNC(=O)C[N@@H+](CCC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441218914 267023860 /nfs/dbraw/zinc/02/38/60/267023860.db2.gz UXMNPUSGZZGMPG-UHFFFAOYSA-N 1 2 341.415 2.346 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000301355191 267157077 /nfs/dbraw/zinc/15/70/77/267157077.db2.gz KDOMJVHTKCTLMT-GFCCVEGCSA-N 1 2 341.371 2.147 20 30 EEEDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000451936254 267231379 /nfs/dbraw/zinc/23/13/79/267231379.db2.gz UCGZHNHFBKIFAP-AWEZNQCLSA-N 1 2 341.864 2.316 20 30 EEEDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000451936254 267231381 /nfs/dbraw/zinc/23/13/81/267231381.db2.gz UCGZHNHFBKIFAP-AWEZNQCLSA-N 1 2 341.864 2.316 20 30 EEEDLO Cc1cc(CN2CC[NH+](CCOc3ccccc3C#N)CC2)on1 ZINC000299075005 267323783 /nfs/dbraw/zinc/32/37/83/267323783.db2.gz QJDQEBTTWUNKGY-UHFFFAOYSA-N 1 2 326.400 2.051 20 30 EEEDLO Cc1cc(C[NH+]2CCN(CCOc3ccccc3C#N)CC2)on1 ZINC000299075005 267323788 /nfs/dbraw/zinc/32/37/88/267323788.db2.gz QJDQEBTTWUNKGY-UHFFFAOYSA-N 1 2 326.400 2.051 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000299263112 268266032 /nfs/dbraw/zinc/26/60/32/268266032.db2.gz ZBIZCWMGNUWJTE-UHFFFAOYSA-N 1 2 341.440 2.166 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCCN(c3nccs3)CC2)c1 ZINC000299263112 268266035 /nfs/dbraw/zinc/26/60/35/268266035.db2.gz ZBIZCWMGNUWJTE-UHFFFAOYSA-N 1 2 341.440 2.166 20 30 EEEDLO N#Cc1ccnc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1 ZINC000283684486 268296946 /nfs/dbraw/zinc/29/69/46/268296946.db2.gz YCRBSEDULVNGOD-UHFFFAOYSA-N 1 2 335.411 2.468 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000359932769 268307918 /nfs/dbraw/zinc/30/79/18/268307918.db2.gz DBFAABBLLNKVOU-CQSZACIVSA-N 1 2 346.456 2.035 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000359932769 268307920 /nfs/dbraw/zinc/30/79/20/268307920.db2.gz DBFAABBLLNKVOU-CQSZACIVSA-N 1 2 346.456 2.035 20 30 EEEDLO N#Cc1cccc(CNc2[nH+]cnc3c2cnn3-c2ncccn2)c1 ZINC000163613837 311385380 /nfs/dbraw/zinc/38/53/80/311385380.db2.gz LEZNWLFFAMBQEJ-UHFFFAOYSA-N 1 2 328.339 2.089 20 30 EEEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000164576941 311389437 /nfs/dbraw/zinc/38/94/37/311389437.db2.gz FGLJKGZSWJXQAC-UHFFFAOYSA-N 1 2 349.387 2.075 20 30 EEEDLO CC[C@@H]1CN(C)CC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000565578048 319194514 /nfs/dbraw/zinc/19/45/14/319194514.db2.gz WMDYILFJIZEHEY-AEFFLSMTSA-N 1 2 326.444 2.080 20 30 EEEDLO CC[C@@H]1CN(C)CC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000565578048 319194517 /nfs/dbraw/zinc/19/45/17/319194517.db2.gz WMDYILFJIZEHEY-AEFFLSMTSA-N 1 2 326.444 2.080 20 30 EEEDLO C=CCNc1ncc(C(=O)NCC2CC[NH+](CC(F)F)CC2)s1 ZINC000622057338 451014023 /nfs/dbraw/zinc/01/40/23/451014023.db2.gz ZGDRAMNEUHKSFZ-UHFFFAOYSA-N 1 2 344.431 2.448 20 30 EEEDLO C#CC[NH+]1CCN(Cn2c(CCC3CCCC3)n[nH]c2=S)CC1 ZINC000127376296 462546204 /nfs/dbraw/zinc/54/62/04/462546204.db2.gz GPEPAAGAENICKZ-UHFFFAOYSA-N 1 2 333.505 2.272 20 30 EEEDLO C[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000042310967 463555462 /nfs/dbraw/zinc/55/54/62/463555462.db2.gz UFZIGGOVTGFEKE-AWEZNQCLSA-N 1 2 330.432 2.029 20 30 EEEDLO CN1CCOC[C@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000329010347 465201046 /nfs/dbraw/zinc/20/10/46/465201046.db2.gz HWJIFEYRVHYHKF-INIZCTEOSA-N 1 2 332.448 2.249 20 30 EEEDLO CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000329127031 465241577 /nfs/dbraw/zinc/24/15/77/465241577.db2.gz UOHMFHAATKYMLE-GJZGRUSLSA-N 1 2 347.463 2.355 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000355534752 465254889 /nfs/dbraw/zinc/25/48/89/465254889.db2.gz TYMXVXODZTYNFO-HXUWFJFHSA-N 1 2 339.439 2.338 20 30 EEEDLO C#Cc1cccc(NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)c1 ZINC000297596987 465263231 /nfs/dbraw/zinc/26/32/31/465263231.db2.gz FORLRJGTAAMNHS-HNNXBMFYSA-N 1 2 326.400 2.283 20 30 EEEDLO CC[C@](C)(C#N)C(=O)N1C[C@@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000355687408 465265578 /nfs/dbraw/zinc/26/55/78/465265578.db2.gz VCHIWISSCXBYRV-JENIJYKNSA-N 1 2 327.428 2.038 20 30 EEEDLO CC[C@](C)(C#N)C(=O)N1C[C@@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000355687408 465265584 /nfs/dbraw/zinc/26/55/84/465265584.db2.gz VCHIWISSCXBYRV-JENIJYKNSA-N 1 2 327.428 2.038 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000342019581 465285375 /nfs/dbraw/zinc/28/53/75/465285375.db2.gz OXSHVYZEZNRLIR-UHFFFAOYSA-N 1 2 346.387 2.094 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@@H](C)c2nc(-c3cccnc3)no2)CC1 ZINC000342026171 465286260 /nfs/dbraw/zinc/28/62/60/465286260.db2.gz WEKNSYRGFKXNHO-ZDUSSCGKSA-N 1 2 327.388 2.445 20 30 EEEDLO C=CCOc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000356084695 465292062 /nfs/dbraw/zinc/29/20/62/465292062.db2.gz RDOUJNRMWNKRTE-DOTOQJQBSA-N 1 2 330.428 2.187 20 30 EEEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N(C)C[C@H](C)C#N)cc1 ZINC000339568934 465355675 /nfs/dbraw/zinc/35/56/75/465355675.db2.gz OAILFLOFZSTXPX-SJLPKXTDSA-N 1 2 344.459 2.169 20 30 EEEDLO COC(=O)c1ccc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C#N)n1 ZINC000590586024 468278937 /nfs/dbraw/zinc/27/89/37/468278937.db2.gz IVILVOHKRSQWJR-MLGOLLRUSA-N 1 2 325.372 2.024 20 30 EEEDLO C=CCCOCCNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000127449759 462555254 /nfs/dbraw/zinc/55/52/54/462555254.db2.gz LIXVKMFWBZZLAG-MRXNPFEDSA-N 1 2 332.448 2.063 20 30 EEEDLO COC(=O)c1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046518996 462686997 /nfs/dbraw/zinc/68/69/97/462686997.db2.gz KYYFIBNRACFCMT-UHFFFAOYSA-N 1 2 337.379 2.415 20 30 EEEDLO COC(=O)c1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046518996 462687003 /nfs/dbraw/zinc/68/70/03/462687003.db2.gz KYYFIBNRACFCMT-UHFFFAOYSA-N 1 2 337.379 2.415 20 30 EEEDLO C=CCCS(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000129967118 462733584 /nfs/dbraw/zinc/73/35/84/462733584.db2.gz WYAUUEPIVWYLOH-HNNXBMFYSA-N 1 2 335.429 2.014 20 30 EEEDLO CN(C(=O)C[NH+]1CCC(O)(C(F)(F)F)CC1)C1(C#N)CCCCC1 ZINC000089970646 462757557 /nfs/dbraw/zinc/75/75/57/462757557.db2.gz FZOPZIVIBBSEPP-UHFFFAOYSA-N 1 2 347.381 2.060 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCc3n[nH]cc3C2)cc1 ZINC000091078200 462830886 /nfs/dbraw/zinc/83/08/86/462830886.db2.gz JTZJTHJSHCEBHH-HNNXBMFYSA-N 1 2 337.427 2.412 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCc3n[nH]cc3C2)cc1 ZINC000091078200 462830892 /nfs/dbraw/zinc/83/08/92/462830892.db2.gz JTZJTHJSHCEBHH-HNNXBMFYSA-N 1 2 337.427 2.412 20 30 EEEDLO C#CC[N@@H+](CC(=O)Nc1c(C)nn(C)c1C)Cc1ccc(F)cc1 ZINC000065958354 462843216 /nfs/dbraw/zinc/84/32/16/462843216.db2.gz YSBFKKWUQJCSOX-UHFFFAOYSA-N 1 2 328.391 2.250 20 30 EEEDLO C#CC[N@H+](CC(=O)Nc1c(C)nn(C)c1C)Cc1ccc(F)cc1 ZINC000065958354 462843219 /nfs/dbraw/zinc/84/32/19/462843219.db2.gz YSBFKKWUQJCSOX-UHFFFAOYSA-N 1 2 328.391 2.250 20 30 EEEDLO CC[N@@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@H](C)C#N ZINC000066424465 462888487 /nfs/dbraw/zinc/88/84/87/462888487.db2.gz AFCBSXOKAQCHJB-PGBRGIIUSA-N 1 2 346.475 2.263 20 30 EEEDLO CC[N@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@H](C)C#N ZINC000066424465 462888490 /nfs/dbraw/zinc/88/84/90/462888490.db2.gz AFCBSXOKAQCHJB-PGBRGIIUSA-N 1 2 346.475 2.263 20 30 EEEDLO N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590746478 468323957 /nfs/dbraw/zinc/32/39/57/468323957.db2.gz PQSKWJODSZQVFI-INIZCTEOSA-N 1 2 348.403 2.061 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000133340569 462921057 /nfs/dbraw/zinc/92/10/57/462921057.db2.gz FIDWMMPGNPJHSW-CQSZACIVSA-N 1 2 336.382 2.085 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000133340569 462921061 /nfs/dbraw/zinc/92/10/61/462921061.db2.gz FIDWMMPGNPJHSW-CQSZACIVSA-N 1 2 336.382 2.085 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c1C ZINC000121526747 463151043 /nfs/dbraw/zinc/15/10/43/463151043.db2.gz GQGRONLXRXPZBO-UHFFFAOYSA-N 1 2 343.471 2.418 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCN(C(=O)C3CC3)CC2)c1C ZINC000121526747 463151046 /nfs/dbraw/zinc/15/10/46/463151046.db2.gz GQGRONLXRXPZBO-UHFFFAOYSA-N 1 2 343.471 2.418 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121694537 463180162 /nfs/dbraw/zinc/18/01/62/463180162.db2.gz JUPUGJQAPOTGMT-QFBILLFUSA-N 1 2 329.444 2.242 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121694537 463180167 /nfs/dbraw/zinc/18/01/67/463180167.db2.gz JUPUGJQAPOTGMT-QFBILLFUSA-N 1 2 329.444 2.242 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1OC ZINC000027741831 463202318 /nfs/dbraw/zinc/20/23/18/463202318.db2.gz LMDLRGKAMZPAPF-LLVKDONJSA-N 1 2 339.823 2.181 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000027741831 463202324 /nfs/dbraw/zinc/20/23/24/463202324.db2.gz LMDLRGKAMZPAPF-LLVKDONJSA-N 1 2 339.823 2.181 20 30 EEEDLO Cc1ccc(C(N)=[NH+]OCC(=O)N2CCc3sccc3C2)cc1F ZINC000054270009 463222985 /nfs/dbraw/zinc/22/29/85/463222985.db2.gz QPXPDIYDSQIAKZ-UHFFFAOYSA-N 1 2 347.415 2.417 20 30 EEEDLO N#Cc1ccc(F)c(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000158364110 463230495 /nfs/dbraw/zinc/23/04/95/463230495.db2.gz XBQPJTJEBWKMKA-MRXNPFEDSA-N 1 2 340.358 2.455 20 30 EEEDLO CC(C)N(C(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1)C(C)C ZINC000029447703 463257347 /nfs/dbraw/zinc/25/73/47/463257347.db2.gz PHKALQCBDHRYQC-INIZCTEOSA-N 1 2 343.475 2.109 20 30 EEEDLO CC(C)CCNC(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029859728 463276632 /nfs/dbraw/zinc/27/66/32/463276632.db2.gz YMPWOBIDJIEEKI-OAHLLOKOSA-N 1 2 346.450 2.370 20 30 EEEDLO COc1ccc(CN(C)C(=O)C[N@H+](CCC#N)CC2CC2)cc1F ZINC000081515326 463451772 /nfs/dbraw/zinc/45/17/72/463451772.db2.gz XXYLKFBCFHREKU-UHFFFAOYSA-N 1 2 333.407 2.418 20 30 EEEDLO COc1ccc(CN(C)C(=O)C[N@@H+](CCC#N)CC2CC2)cc1F ZINC000081515326 463451777 /nfs/dbraw/zinc/45/17/77/463451777.db2.gz XXYLKFBCFHREKU-UHFFFAOYSA-N 1 2 333.407 2.418 20 30 EEEDLO Cc1sc(NC(=O)C[NH+]2CCC(c3nnc[nH]3)CC2)c(C#N)c1C ZINC000083424889 463546861 /nfs/dbraw/zinc/54/68/61/463546861.db2.gz NACZCHFNQLCLOV-UHFFFAOYSA-N 1 2 344.444 2.173 20 30 EEEDLO COCC[N@H+](CC(=O)N1CCCC[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000058397760 463592455 /nfs/dbraw/zinc/59/24/55/463592455.db2.gz CERGZBDGNBWZGF-INIZCTEOSA-N 1 2 329.444 2.408 20 30 EEEDLO COCC[N@@H+](CC(=O)N1CCCC[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000058397760 463592457 /nfs/dbraw/zinc/59/24/57/463592457.db2.gz CERGZBDGNBWZGF-INIZCTEOSA-N 1 2 329.444 2.408 20 30 EEEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2cccc(C#N)c2)c1C ZINC000058506852 463605093 /nfs/dbraw/zinc/60/50/93/463605093.db2.gz QUBAONHPHJRPDF-UHFFFAOYSA-N 1 2 345.424 2.399 20 30 EEEDLO Cc1ccsc1CCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000164128789 463615810 /nfs/dbraw/zinc/61/58/10/463615810.db2.gz YORKZHHQMPKLGH-UHFFFAOYSA-N 1 2 349.500 2.454 20 30 EEEDLO N#Cc1cccc(NC(=O)NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000043329602 463636703 /nfs/dbraw/zinc/63/67/03/463636703.db2.gz LHDWUIRJGWZSMV-UHFFFAOYSA-N 1 2 337.383 2.112 20 30 EEEDLO N#Cc1ccccc1N1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000126948591 463672646 /nfs/dbraw/zinc/67/26/46/463672646.db2.gz UIXSYNSHQBNMNA-UHFFFAOYSA-N 1 2 326.425 2.041 20 30 EEEDLO CCCOc1ccc(/C=[NH+]/C[C@@H]2CCCS(=O)(=O)C2)c(O)c1 ZINC000286960867 463755308 /nfs/dbraw/zinc/75/53/08/463755308.db2.gz BIQXZUBPNKWXHW-HNEYUBDGSA-N 1 2 325.430 2.425 20 30 EEEDLO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1nc(C(C)(C)C)no1 ZINC000185176830 463769700 /nfs/dbraw/zinc/76/97/00/463769700.db2.gz FOSUOEQDSFUUIV-OCCSQVGLSA-N 1 2 344.415 2.329 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000185257342 463788524 /nfs/dbraw/zinc/78/85/24/463788524.db2.gz FZSCVSIHGODVNV-NWDGAFQWSA-N 1 2 349.435 2.168 20 30 EEEDLO CC[C@H](C)NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000178149402 463853174 /nfs/dbraw/zinc/85/31/74/463853174.db2.gz XAAGGZJVXHIICV-KBPBESRZSA-N 1 2 347.463 2.012 20 30 EEEDLO C#Cc1cccc(NC(=O)CN(C)c2cc(NCC3CC3)[nH+]cn2)c1 ZINC000277216694 463905404 /nfs/dbraw/zinc/90/54/04/463905404.db2.gz ZVAFWGMSITWCGC-UHFFFAOYSA-N 1 2 335.411 2.355 20 30 EEEDLO C#Cc1cccc(NC(=O)CN(C)c2cc(NCC3CC3)nc[nH+]2)c1 ZINC000277216694 463905410 /nfs/dbraw/zinc/90/54/10/463905410.db2.gz ZVAFWGMSITWCGC-UHFFFAOYSA-N 1 2 335.411 2.355 20 30 EEEDLO NC(COc1cc(F)cc(F)c1)=[NH+]OCCO[C@H]1CCCCO1 ZINC000194722787 463915634 /nfs/dbraw/zinc/91/56/34/463915634.db2.gz YBWSYLGZVNGSQO-HNNXBMFYSA-N 1 2 330.331 2.176 20 30 EEEDLO C=C(C)Cn1c(-c2ccccc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000283721384 463984190 /nfs/dbraw/zinc/98/41/90/463984190.db2.gz XNHODBAYKMEOPO-UHFFFAOYSA-N 1 2 341.459 2.290 20 30 EEEDLO NC(=[NH+]OCc1cn(-c2ccc(F)c(Cl)c2)nn1)[C@H]1CCCO1 ZINC000283757648 463998628 /nfs/dbraw/zinc/99/86/28/463998628.db2.gz AOUGNHCKRTUYTC-CYBMUJFWSA-N 1 2 339.758 2.028 20 30 EEEDLO C[C@@H](Cc1cccc(F)c1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000195167182 464008771 /nfs/dbraw/zinc/00/87/71/464008771.db2.gz IWCZKFMDVASJJB-INIZCTEOSA-N 1 2 347.434 2.079 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000287819395 464011499 /nfs/dbraw/zinc/01/14/99/464011499.db2.gz POJCMWPXDHELFO-LLVKDONJSA-N 1 2 336.233 2.408 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000287819395 464011503 /nfs/dbraw/zinc/01/15/03/464011503.db2.gz POJCMWPXDHELFO-LLVKDONJSA-N 1 2 336.233 2.408 20 30 EEEDLO C[C@@H](O)c1ncc(C[NH+]2CCN(c3ccccc3C#N)CC2)s1 ZINC000289131332 464067685 /nfs/dbraw/zinc/06/76/85/464067685.db2.gz ONHOHROJCFPGOQ-CYBMUJFWSA-N 1 2 328.441 2.390 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000289374666 464075379 /nfs/dbraw/zinc/07/53/79/464075379.db2.gz KNYIYFDEBONGKC-IBGZPJMESA-N 1 2 332.444 2.057 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N2CCc3ccccc32)n1 ZINC000279786504 464146785 /nfs/dbraw/zinc/14/67/85/464146785.db2.gz UYTUDVRBZZOFJV-INIZCTEOSA-N 1 2 336.439 2.316 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N2CCc3ccccc32)n1 ZINC000279786504 464146792 /nfs/dbraw/zinc/14/67/92/464146792.db2.gz UYTUDVRBZZOFJV-INIZCTEOSA-N 1 2 336.439 2.316 20 30 EEEDLO Cc1nc(N2CC[NH+](CC(=O)Nc3ccccc3)CC2)ccc1C#N ZINC000291613450 464156922 /nfs/dbraw/zinc/15/69/22/464156922.db2.gz JTIWSBNLNLSJOJ-UHFFFAOYSA-N 1 2 335.411 2.022 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1nncn1C(C)C ZINC000292525767 464261738 /nfs/dbraw/zinc/26/17/38/464261738.db2.gz WPBOFUHWMPWKGO-UHFFFAOYSA-N 1 2 329.404 2.250 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1nncn1C(C)C ZINC000292525767 464261742 /nfs/dbraw/zinc/26/17/42/464261742.db2.gz WPBOFUHWMPWKGO-UHFFFAOYSA-N 1 2 329.404 2.250 20 30 EEEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000271061369 464277702 /nfs/dbraw/zinc/27/77/02/464277702.db2.gz SMECIUAQFSXFPA-UHFFFAOYSA-N 1 2 326.487 2.085 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000293175968 464390780 /nfs/dbraw/zinc/39/07/80/464390780.db2.gz SGYSQTZIMOUPMG-UHFFFAOYSA-N 1 2 326.799 2.440 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2cccc(C)c2C)C1=O ZINC000281314740 464411414 /nfs/dbraw/zinc/41/14/14/464411414.db2.gz KUBFEWRSGSJTPI-NVXWUHKLSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2cccc(C)c2C)C1=O ZINC000281314740 464411419 /nfs/dbraw/zinc/41/14/19/464411419.db2.gz KUBFEWRSGSJTPI-NVXWUHKLSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000293593656 464412924 /nfs/dbraw/zinc/41/29/24/464412924.db2.gz CXFLQWZBQDCGJG-QGZVFWFLSA-N 1 2 346.471 2.173 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2cc(F)ccc2F)C1=O ZINC000281511790 464485857 /nfs/dbraw/zinc/48/58/57/464485857.db2.gz YUIGDKHAGCQIDE-IAQYHMDHSA-N 1 2 337.370 2.011 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2cc(F)ccc2F)C1=O ZINC000281511790 464485862 /nfs/dbraw/zinc/48/58/62/464485862.db2.gz YUIGDKHAGCQIDE-IAQYHMDHSA-N 1 2 337.370 2.011 20 30 EEEDLO CC[C@H](C)[C@@H](O)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000246618225 464605630 /nfs/dbraw/zinc/60/56/30/464605630.db2.gz SSQYVYOAEFNDCD-WFASDCNBSA-N 1 2 342.443 2.053 20 30 EEEDLO CCc1nsc(N2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)n1 ZINC000282148410 464715284 /nfs/dbraw/zinc/71/52/84/464715284.db2.gz CLYXIPQNGNJLGI-UHFFFAOYSA-N 1 2 343.456 2.303 20 30 EEEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000554565019 468422437 /nfs/dbraw/zinc/42/24/37/468422437.db2.gz SZCJGFPNNLFPJE-SFHVURJKSA-N 1 2 345.406 2.037 20 30 EEEDLO CCc1ccc(C(=O)N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)cc1 ZINC000191233780 464803795 /nfs/dbraw/zinc/80/37/95/464803795.db2.gz FSLVNTMRNIZFPS-UHFFFAOYSA-N 1 2 336.439 2.417 20 30 EEEDLO Cc1cc(C#N)ccc1C[N@H+](C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000249114028 464843418 /nfs/dbraw/zinc/84/34/18/464843418.db2.gz DCNLKUAJBPLVLT-ROUUACIJSA-N 1 2 348.468 2.035 20 30 EEEDLO Cc1cc(C#N)ccc1C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000249114028 464843424 /nfs/dbraw/zinc/84/34/24/464843424.db2.gz DCNLKUAJBPLVLT-ROUUACIJSA-N 1 2 348.468 2.035 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)[C@@H](C(N)=O)C1 ZINC000249552533 464889795 /nfs/dbraw/zinc/88/97/95/464889795.db2.gz INMKILLRFMBSPX-IINYFYTJSA-N 1 2 336.233 2.407 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)[C@@H](C(N)=O)C1 ZINC000249552533 464889799 /nfs/dbraw/zinc/88/97/99/464889799.db2.gz INMKILLRFMBSPX-IINYFYTJSA-N 1 2 336.233 2.407 20 30 EEEDLO C=CCNC(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249727113 464908576 /nfs/dbraw/zinc/90/85/76/464908576.db2.gz QQFULPRRLIIKOH-UKRRQHHQSA-N 1 2 329.227 2.186 20 30 EEEDLO C=CCNC(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249727113 464908584 /nfs/dbraw/zinc/90/85/84/464908584.db2.gz QQFULPRRLIIKOH-UKRRQHHQSA-N 1 2 329.227 2.186 20 30 EEEDLO CC[C@H](CC#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000183796008 464911008 /nfs/dbraw/zinc/91/10/08/464911008.db2.gz KCCMFAOVGZQSBE-GDBMZVCRSA-N 1 2 332.423 2.145 20 30 EEEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)n1 ZINC000267045365 464914041 /nfs/dbraw/zinc/91/40/41/464914041.db2.gz PPNUARJUQLYOKL-CQSZACIVSA-N 1 2 341.415 2.361 20 30 EEEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)n1 ZINC000267045365 464914049 /nfs/dbraw/zinc/91/40/49/464914049.db2.gz PPNUARJUQLYOKL-CQSZACIVSA-N 1 2 341.415 2.361 20 30 EEEDLO CC#CCN(C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000339756874 465492986 /nfs/dbraw/zinc/49/29/86/465492986.db2.gz PFFBJBIKJFGUOV-UHFFFAOYSA-N 1 2 334.489 2.269 20 30 EEEDLO Cc1sc(NC(=O)C[NH+]2CCC(C3OCCO3)CC2)c(C#N)c1C ZINC000177097638 464928598 /nfs/dbraw/zinc/92/85/98/464928598.db2.gz UZAJYHQDFSAVMZ-UHFFFAOYSA-N 1 2 349.456 2.260 20 30 EEEDLO COC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(C)o1 ZINC000184696946 465019317 /nfs/dbraw/zinc/01/93/17/465019317.db2.gz ONBYIIGNWUHQRJ-INIZCTEOSA-N 1 2 348.424 2.211 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@H](c2cccs2)C1 ZINC000329547139 465368681 /nfs/dbraw/zinc/36/86/81/465368681.db2.gz AZISYIDELHBFFW-RISCZKNCSA-N 1 2 332.429 2.316 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@H](c2cccs2)C1 ZINC000329547139 465368687 /nfs/dbraw/zinc/36/86/87/465368687.db2.gz AZISYIDELHBFFW-RISCZKNCSA-N 1 2 332.429 2.316 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3cc(C)nc(C#N)c3)CC2)no1 ZINC000342993183 465438470 /nfs/dbraw/zinc/43/84/70/465438470.db2.gz KIOGTVMIYIAFNZ-MRXNPFEDSA-N 1 2 340.431 2.444 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3cc(C)nc(C#N)c3)CC2)no1 ZINC000342993183 465438478 /nfs/dbraw/zinc/43/84/78/465438478.db2.gz KIOGTVMIYIAFNZ-MRXNPFEDSA-N 1 2 340.431 2.444 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000352325965 465518241 /nfs/dbraw/zinc/51/82/41/465518241.db2.gz ZHLQWTMEGNXDAQ-CVEARBPZSA-N 1 2 346.475 2.062 20 30 EEEDLO Cc1ccc(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)cc1-c1ncco1 ZINC000330142388 465547604 /nfs/dbraw/zinc/54/76/04/465547604.db2.gz YFXPOTLMQBDEJV-OAHLLOKOSA-N 1 2 343.431 2.222 20 30 EEEDLO Cc1ccc(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cc1-c1ncco1 ZINC000330142388 465547605 /nfs/dbraw/zinc/54/76/05/465547605.db2.gz YFXPOTLMQBDEJV-OAHLLOKOSA-N 1 2 343.431 2.222 20 30 EEEDLO O=C(N[C@@H]1CCOC2(CCOCC2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330248748 465584988 /nfs/dbraw/zinc/58/49/88/465584988.db2.gz ZMKDZXICCNKKFG-OAHLLOKOSA-N 1 2 348.447 2.231 20 30 EEEDLO CCN1CCN(C(=O)Nc2c(F)cccc2OC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330323213 465611537 /nfs/dbraw/zinc/61/15/37/465611537.db2.gz HKLAKLAYOCCZSC-CYBMUJFWSA-N 1 2 347.394 2.482 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(Oc3ccccn3)CC2)cc1 ZINC000348508144 465639440 /nfs/dbraw/zinc/63/94/40/465639440.db2.gz KOJOYLGXAMRXDX-GOSISDBHSA-N 1 2 336.395 2.023 20 30 EEEDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCO1 ZINC000362463444 465759811 /nfs/dbraw/zinc/75/98/11/465759811.db2.gz HJMZFIPHTGHPCW-HNNXBMFYSA-N 1 2 347.463 2.347 20 30 EEEDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCO1 ZINC000362463444 465759820 /nfs/dbraw/zinc/75/98/20/465759820.db2.gz HJMZFIPHTGHPCW-HNNXBMFYSA-N 1 2 347.463 2.347 20 30 EEEDLO Cn1c2ccccc2nc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000299551369 465798405 /nfs/dbraw/zinc/79/84/05/465798405.db2.gz JLUQOVWPRNUOOD-UHFFFAOYSA-N 1 2 332.411 2.162 20 30 EEEDLO Cc1c(C#N)cccc1C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000338211042 465905263 /nfs/dbraw/zinc/90/52/63/465905263.db2.gz XPQTZGSWCQUQIE-INIZCTEOSA-N 1 2 335.411 2.003 20 30 EEEDLO Cc1c(C#N)cccc1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000338211042 465905269 /nfs/dbraw/zinc/90/52/69/465905269.db2.gz XPQTZGSWCQUQIE-INIZCTEOSA-N 1 2 335.411 2.003 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)ccn1 ZINC000338261258 465958266 /nfs/dbraw/zinc/95/82/66/465958266.db2.gz LQJSNRNJYQVKFN-MRXNPFEDSA-N 1 2 326.787 2.393 20 30 EEEDLO Cc1cccc(C)c1NC(=O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000301605197 465994995 /nfs/dbraw/zinc/99/49/95/465994995.db2.gz YAYIQNYABSDNQY-UHFFFAOYSA-N 1 2 349.438 2.331 20 30 EEEDLO C=CC[N@@H+](CC(=O)N1CCC(C(=O)OC)CC1)Cc1cccs1 ZINC000346299599 466072354 /nfs/dbraw/zinc/07/23/54/466072354.db2.gz BVBJLUZGTUGNQO-UHFFFAOYSA-N 1 2 336.457 2.148 20 30 EEEDLO C=CC[N@H+](CC(=O)N1CCC(C(=O)OC)CC1)Cc1cccs1 ZINC000346299599 466072360 /nfs/dbraw/zinc/07/23/60/466072360.db2.gz BVBJLUZGTUGNQO-UHFFFAOYSA-N 1 2 336.457 2.148 20 30 EEEDLO CC1(C#N)CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000331675961 466192036 /nfs/dbraw/zinc/19/20/36/466192036.db2.gz OQZSDUXLVANDDC-OAHLLOKOSA-N 1 2 328.372 2.326 20 30 EEEDLO N#CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCCn3cc[nH+]c32)cc1 ZINC000372162937 466197239 /nfs/dbraw/zinc/19/72/39/466197239.db2.gz BLKKDMCTPQYQMS-WHWKNOJMSA-N 1 2 336.395 2.492 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1csc(Cc2ccccc2)n1 ZINC000581611328 468495871 /nfs/dbraw/zinc/49/58/71/468495871.db2.gz WDXAYYRYZVGYHS-KRWDZBQOSA-N 1 2 328.441 2.308 20 30 EEEDLO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000314577295 466551507 /nfs/dbraw/zinc/55/15/07/466551507.db2.gz NNAATSQGOCZORL-ZDUSSCGKSA-N 1 2 326.849 2.468 20 30 EEEDLO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000314577295 466551499 /nfs/dbraw/zinc/55/14/99/466551499.db2.gz NNAATSQGOCZORL-ZDUSSCGKSA-N 1 2 326.849 2.468 20 30 EEEDLO COC(=O)c1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cn1C ZINC000377549205 467084585 /nfs/dbraw/zinc/08/45/85/467084585.db2.gz KDAUSTHYLBAZHX-SFHVURJKSA-N 1 2 339.395 2.257 20 30 EEEDLO COC(=O)c1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cn1C ZINC000377549205 467084587 /nfs/dbraw/zinc/08/45/87/467084587.db2.gz KDAUSTHYLBAZHX-SFHVURJKSA-N 1 2 339.395 2.257 20 30 EEEDLO Cc1cc(N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c(C#N)cc1[N+](=O)[O-] ZINC000413295478 467209990 /nfs/dbraw/zinc/20/99/90/467209990.db2.gz DWJFEEHSWYBTGO-UKRRQHHQSA-N 1 2 330.388 2.074 20 30 EEEDLO N#CCC1(CS(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000451030111 467229685 /nfs/dbraw/zinc/22/96/85/467229685.db2.gz MFIAGUUHDWKITC-UHFFFAOYSA-N 1 2 344.440 2.045 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2Cc2cccc(F)c2C#N)O1 ZINC000428941599 467282258 /nfs/dbraw/zinc/28/22/58/467282258.db2.gz WMCZLIHLFAFJDO-AHBIMHKDSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2Cc2cccc(F)c2C#N)O1 ZINC000428941599 467282260 /nfs/dbraw/zinc/28/22/60/467282260.db2.gz WMCZLIHLFAFJDO-AHBIMHKDSA-N 1 2 332.375 2.381 20 30 EEEDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000451927449 467285317 /nfs/dbraw/zinc/28/53/17/467285317.db2.gz BQTLKGSRJRPPEJ-CYBMUJFWSA-N 1 2 341.864 2.316 20 30 EEEDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000451927449 467285319 /nfs/dbraw/zinc/28/53/19/467285319.db2.gz BQTLKGSRJRPPEJ-CYBMUJFWSA-N 1 2 341.864 2.316 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(NC(=O)c2ccco2)c1 ZINC000414149269 467384443 /nfs/dbraw/zinc/38/44/43/467384443.db2.gz NXXUEGHNPMRINC-OAHLLOKOSA-N 1 2 343.383 2.117 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(NC(=O)c2ccco2)c1 ZINC000414149269 467384448 /nfs/dbraw/zinc/38/44/48/467384448.db2.gz NXXUEGHNPMRINC-OAHLLOKOSA-N 1 2 343.383 2.117 20 30 EEEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@@H]1C ZINC000408041020 467498741 /nfs/dbraw/zinc/49/87/41/467498741.db2.gz KMPAZHPJVUFTOK-NWDGAFQWSA-N 1 2 341.864 2.315 20 30 EEEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@@H]1C ZINC000408041020 467498743 /nfs/dbraw/zinc/49/87/43/467498743.db2.gz KMPAZHPJVUFTOK-NWDGAFQWSA-N 1 2 341.864 2.315 20 30 EEEDLO C=C(CC)CNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000454028791 467564563 /nfs/dbraw/zinc/56/45/63/467564563.db2.gz LESIGIJHOSOZPI-HNNXBMFYSA-N 1 2 345.443 2.101 20 30 EEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000442843571 467578131 /nfs/dbraw/zinc/57/81/31/467578131.db2.gz KEICCYYXFFCXMC-LJQANCHMSA-N 1 2 343.427 2.094 20 30 EEEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@]3(C#N)C[C@H]3C)CC2)c1 ZINC000448916563 467605505 /nfs/dbraw/zinc/60/55/05/467605505.db2.gz YBZHKQQPPZTHPA-ZRGWGRIASA-N 1 2 327.428 2.450 20 30 EEEDLO C=C(C)CCNC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000455221594 467650425 /nfs/dbraw/zinc/65/04/25/467650425.db2.gz JWFLDZQCRWEQHY-UHFFFAOYSA-N 1 2 344.459 2.438 20 30 EEEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(F)F ZINC000455272703 467657108 /nfs/dbraw/zinc/65/71/08/467657108.db2.gz QMUXLHRVEWYJAB-ZDUSSCGKSA-N 1 2 336.386 2.429 20 30 EEEDLO CC(C)N(CCC#N)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000527353731 467659890 /nfs/dbraw/zinc/65/98/90/467659890.db2.gz JWJNUVPBGATCNH-UHFFFAOYSA-N 1 2 339.399 2.176 20 30 EEEDLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527688339 467664409 /nfs/dbraw/zinc/66/44/09/467664409.db2.gz YEZYKGNCARTYJQ-GGXPGOJBSA-N 1 2 341.455 2.262 20 30 EEEDLO C=CCC1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCCC1 ZINC000449800197 467717001 /nfs/dbraw/zinc/71/70/01/467717001.db2.gz FDFYZZGHORFHEQ-SFHVURJKSA-N 1 2 338.517 2.447 20 30 EEEDLO C=CC(C)(C)CNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000458358212 467815631 /nfs/dbraw/zinc/81/56/31/467815631.db2.gz CFFWVMDZIKXVNX-GOSISDBHSA-N 1 2 345.487 2.441 20 30 EEEDLO CC[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)[C@@H](CC)CN1C(C)=O ZINC000472354856 467988340 /nfs/dbraw/zinc/98/83/40/467988340.db2.gz ZQURADDOEXDTJU-DLBZAZTESA-N 1 2 348.491 2.050 20 30 EEEDLO CC[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)[C@@H](CC)CN1C(C)=O ZINC000472354856 467988343 /nfs/dbraw/zinc/98/83/43/467988343.db2.gz ZQURADDOEXDTJU-DLBZAZTESA-N 1 2 348.491 2.050 20 30 EEEDLO CN(C(=O)C[N@H+](CCO)Cc1cccc(F)c1)C1(C#N)CCCCC1 ZINC000494290631 468042871 /nfs/dbraw/zinc/04/28/71/468042871.db2.gz NNRHZSOOFTXBQQ-UHFFFAOYSA-N 1 2 347.434 2.305 20 30 EEEDLO CN(C(=O)C[N@@H+](CCO)Cc1cccc(F)c1)C1(C#N)CCCCC1 ZINC000494290631 468042874 /nfs/dbraw/zinc/04/28/74/468042874.db2.gz NNRHZSOOFTXBQQ-UHFFFAOYSA-N 1 2 347.434 2.305 20 30 EEEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2c(n1)onc2C(C)C ZINC000565659862 468135994 /nfs/dbraw/zinc/13/59/94/468135994.db2.gz GJFIIBYPPUIJNJ-QGZVFWFLSA-N 1 2 329.404 2.228 20 30 EEEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(-n2nnnc2C)ccc1F ZINC000489466240 468139323 /nfs/dbraw/zinc/13/93/23/468139323.db2.gz XGHWVADMYYCZML-ZDUSSCGKSA-N 1 2 344.394 2.089 20 30 EEEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(-n2nnnc2C)ccc1F ZINC000489466240 468139325 /nfs/dbraw/zinc/13/93/25/468139325.db2.gz XGHWVADMYYCZML-ZDUSSCGKSA-N 1 2 344.394 2.089 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000578446603 468203526 /nfs/dbraw/zinc/20/35/26/468203526.db2.gz XKWPNVPXIGWLBJ-SFHVURJKSA-N 1 2 331.416 2.216 20 30 EEEDLO C#CCN(CC#CC)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000490691195 468236002 /nfs/dbraw/zinc/23/60/02/468236002.db2.gz VCJWLZFIQPURSX-KRWDZBQOSA-N 1 2 338.386 2.317 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147505 468638143 /nfs/dbraw/zinc/63/81/43/468638143.db2.gz PIACAYZKJWMGNC-ABAIWWIYSA-N 1 2 341.333 2.383 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147505 468638145 /nfs/dbraw/zinc/63/81/45/468638145.db2.gz PIACAYZKJWMGNC-ABAIWWIYSA-N 1 2 341.333 2.383 20 30 EEEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148808 468639056 /nfs/dbraw/zinc/63/90/56/468639056.db2.gz CFHCGQCFWVUDHQ-BDJLRTHQSA-N 1 2 337.807 2.026 20 30 EEEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148808 468639062 /nfs/dbraw/zinc/63/90/62/468639062.db2.gz CFHCGQCFWVUDHQ-BDJLRTHQSA-N 1 2 337.807 2.026 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(I)cc2)C1 ZINC000592150495 468640197 /nfs/dbraw/zinc/64/01/97/468640197.db2.gz FKFBLDQPBPREPL-CYBMUJFWSA-N 1 2 342.180 2.142 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(I)cc2)C1 ZINC000592150495 468640200 /nfs/dbraw/zinc/64/02/00/468640200.db2.gz FKFBLDQPBPREPL-CYBMUJFWSA-N 1 2 342.180 2.142 20 30 EEEDLO N#Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)ccc1Cl ZINC000597706684 468645850 /nfs/dbraw/zinc/64/58/50/468645850.db2.gz IENHUOZUCCUNTF-OAHLLOKOSA-N 1 2 333.819 2.148 20 30 EEEDLO COc1cc(Br)c(C[N@@H+]2CC[C@](O)(CC#N)C2)cc1O ZINC000592522581 468719382 /nfs/dbraw/zinc/71/93/82/468719382.db2.gz OZNWNTMLDNRVOM-CQSZACIVSA-N 1 2 341.205 2.014 20 30 EEEDLO COc1cc(Br)c(C[N@H+]2CC[C@](O)(CC#N)C2)cc1O ZINC000592522581 468719388 /nfs/dbraw/zinc/71/93/88/468719388.db2.gz OZNWNTMLDNRVOM-CQSZACIVSA-N 1 2 341.205 2.014 20 30 EEEDLO N#Cc1ccccc1S(=O)(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595396817 468838751 /nfs/dbraw/zinc/83/87/51/468838751.db2.gz RURCHLKDMQKWCF-QGZVFWFLSA-N 1 2 341.436 2.111 20 30 EEEDLO N#Cc1ccccc1S(=O)(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000595396817 468838754 /nfs/dbraw/zinc/83/87/54/468838754.db2.gz RURCHLKDMQKWCF-QGZVFWFLSA-N 1 2 341.436 2.111 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000593154331 468888468 /nfs/dbraw/zinc/88/84/68/468888468.db2.gz ICBICKJMBGWYEV-CQSZACIVSA-N 1 2 330.215 2.332 20 30 EEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000598737908 468980222 /nfs/dbraw/zinc/98/02/22/468980222.db2.gz BLUKHOCYDCSARW-AWEZNQCLSA-N 1 2 342.447 2.440 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CCCN(c3ccccc3Cl)CC2)CCC1 ZINC000562540475 468983804 /nfs/dbraw/zinc/98/38/04/468983804.db2.gz LSWDOBIRSKXCKR-UHFFFAOYSA-N 1 2 346.862 2.415 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(c3ccccc3Cl)CC2)CCC1 ZINC000562540475 468983811 /nfs/dbraw/zinc/98/38/11/468983811.db2.gz LSWDOBIRSKXCKR-UHFFFAOYSA-N 1 2 346.862 2.415 20 30 EEEDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)C2 ZINC000595758167 468992208 /nfs/dbraw/zinc/99/22/08/468992208.db2.gz CMCAPASBFPSGHU-UHFFFAOYSA-N 1 2 327.428 2.396 20 30 EEEDLO COc1ccc2c(c1)CC[N@H+](CC(=O)NC1(C#N)CCCCC1)C2 ZINC000595758167 468992210 /nfs/dbraw/zinc/99/22/10/468992210.db2.gz CMCAPASBFPSGHU-UHFFFAOYSA-N 1 2 327.428 2.396 20 30 EEEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000602869820 469130763 /nfs/dbraw/zinc/13/07/63/469130763.db2.gz PELVOCRYVYSWAS-QMMMGPOBSA-N 1 2 325.294 2.412 20 30 EEEDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(CCC#N)CC1 ZINC000611173577 469180457 /nfs/dbraw/zinc/18/04/57/469180457.db2.gz BBYRGXWTUDQEPB-UHFFFAOYSA-N 1 2 332.404 2.413 20 30 EEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000603070713 469251286 /nfs/dbraw/zinc/25/12/86/469251286.db2.gz RYZXIQVUXVHSEB-BLLLJJGKSA-N 1 2 332.379 2.024 20 30 EEEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1CCOc1ccc(C#N)cc1 ZINC000599446089 469261049 /nfs/dbraw/zinc/26/10/49/469261049.db2.gz ZOTXCQFCWHGXGX-IBGZPJMESA-N 1 2 348.410 2.041 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(OCc2ccccc2)cn1 ZINC000602333718 469286803 /nfs/dbraw/zinc/28/68/03/469286803.db2.gz OSSGIVBBTFRATO-LJQANCHMSA-N 1 2 338.411 2.234 20 30 EEEDLO N#Cc1ccc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1Cl ZINC000596640380 469318780 /nfs/dbraw/zinc/31/87/80/469318780.db2.gz IDRJRAGKMANBKE-AWEZNQCLSA-N 1 2 334.807 2.150 20 30 EEEDLO Cc1cc(C[NH+]2CCN(c3c(C#N)cnn3-c3ccccc3)CC2)on1 ZINC000603273149 469331838 /nfs/dbraw/zinc/33/18/38/469331838.db2.gz NFZLNUMLCHSKRD-UHFFFAOYSA-N 1 2 348.410 2.363 20 30 EEEDLO COc1cc(NC(=O)N(C)CCCn2cc[nH+]c2)c(F)cc1C#N ZINC000599817415 469382243 /nfs/dbraw/zinc/38/22/43/469382243.db2.gz UMHVZMAUQKGXHN-UHFFFAOYSA-N 1 2 331.351 2.456 20 30 EEEDLO C[C@]1(C#N)CCCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000612367036 469447823 /nfs/dbraw/zinc/44/78/23/469447823.db2.gz ACHSEPJGIIMFJW-LJQANCHMSA-N 1 2 327.428 2.285 20 30 EEEDLO N#Cc1cccc(-n2ccc(C(=O)NCCCCn3cc[nH+]c3)n2)c1 ZINC000619613173 469650177 /nfs/dbraw/zinc/65/01/77/469650177.db2.gz HWTKLYKDHGYBHD-UHFFFAOYSA-N 1 2 334.383 2.151 20 30 EEEDLO N#Cc1ccc(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000619760236 469677359 /nfs/dbraw/zinc/67/73/59/469677359.db2.gz FXCVVRHWCZMSEU-CYBMUJFWSA-N 1 2 329.791 2.222 20 30 EEEDLO C=CCOc1ccc(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)cc1 ZINC000619889087 469697757 /nfs/dbraw/zinc/69/77/57/469697757.db2.gz AKZLXOUDMTWOCZ-UHFFFAOYSA-N 1 2 344.455 2.436 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(O)c(F)c3)CC2)cc1 ZINC000613441893 469713291 /nfs/dbraw/zinc/71/32/91/469713291.db2.gz MBEQVPKHMWRDMG-UHFFFAOYSA-N 1 2 339.370 2.361 20 30 EEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc(O)cc(C#N)c1 ZINC000614301481 469903680 /nfs/dbraw/zinc/90/36/80/469903680.db2.gz UNILNMOSBPAVDI-UHFFFAOYSA-N 1 2 338.367 2.056 20 30 EEEDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609485708 469931773 /nfs/dbraw/zinc/93/17/73/469931773.db2.gz VQBFHWPKIAGLDQ-KSZLIROESA-N 1 2 334.508 2.332 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000609484658 469931874 /nfs/dbraw/zinc/93/18/74/469931874.db2.gz FDEYPDWNTYWLDW-MLHJIOFPSA-N 1 2 334.508 2.236 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)Nc1c(C#N)cnc2ccc(Cl)cc21 ZINC000610274995 469998689 /nfs/dbraw/zinc/99/86/89/469998689.db2.gz SIQJOBDAYQOILT-GFCCVEGCSA-N 1 2 330.819 2.314 20 30 EEEDLO CN(CC[NH+]1CCOCC1)c1c(C#N)cnc2c(F)ccc(F)c21 ZINC000610275756 469998716 /nfs/dbraw/zinc/99/87/16/469998716.db2.gz GFEAIRBTPOOKGQ-UHFFFAOYSA-N 1 2 332.354 2.153 20 30 EEEDLO CC#CC[NH2+]Cc1cn(CC(=O)c2cc(C)n(CCC)c2C)nn1 ZINC000640828976 471051585 /nfs/dbraw/zinc/05/15/85/471051585.db2.gz JUBURUWMEMDIHQ-UHFFFAOYSA-N 1 2 327.432 2.102 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@@H](CC)C(=O)NCc2cccs2)nn1 ZINC000657499073 471152674 /nfs/dbraw/zinc/15/26/74/471152674.db2.gz SYVIWQIKBBLULS-HNNXBMFYSA-N 1 2 333.461 2.100 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000664078340 471630951 /nfs/dbraw/zinc/63/09/51/471630951.db2.gz LWBSYLRBCZPHJV-CVEARBPZSA-N 1 2 347.459 2.160 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000664078340 471630957 /nfs/dbraw/zinc/63/09/57/471630957.db2.gz LWBSYLRBCZPHJV-CVEARBPZSA-N 1 2 347.459 2.160 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)[C@@H](C)COC ZINC000661244924 471686468 /nfs/dbraw/zinc/68/64/68/471686468.db2.gz ZVWXGJKEUOOOBZ-AWEZNQCLSA-N 1 2 345.443 2.040 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)[C@@H](C)COC ZINC000661244924 471686471 /nfs/dbraw/zinc/68/64/71/471686471.db2.gz ZVWXGJKEUOOOBZ-AWEZNQCLSA-N 1 2 345.443 2.040 20 30 EEEDLO N#CC1(NC(=O)C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)CCC1 ZINC000595829626 485610705 /nfs/dbraw/zinc/61/07/05/485610705.db2.gz RYYHDSPTRQKWEQ-GFCCVEGCSA-N 1 2 342.226 2.179 20 30 EEEDLO C[C@@H]1CCN(C(=O)Cc2cccc(OCC#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000089852207 533954628 /nfs/dbraw/zinc/95/46/28/533954628.db2.gz YOFABXBNBKKIRL-QAPCUYQASA-N 1 2 338.411 2.438 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c[nH]1 ZINC000181146970 534771788 /nfs/dbraw/zinc/77/17/88/534771788.db2.gz QMINMCYJUMYPKK-UHFFFAOYSA-N 1 2 328.803 2.498 20 30 EEEDLO C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc[nH+]cc2C)cc1 ZINC000107294708 526673082 /nfs/dbraw/zinc/67/30/82/526673082.db2.gz VXPWXYMEVBQOLF-UHFFFAOYSA-N 1 2 331.397 2.107 20 30 EEEDLO C#CCSCCNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000153777818 527143629 /nfs/dbraw/zinc/14/36/29/527143629.db2.gz LXRHXZXJASEPPX-UHFFFAOYSA-N 1 2 346.500 2.484 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605870 528856035 /nfs/dbraw/zinc/85/60/35/528856035.db2.gz KGTXZPKJVKHXDG-SCLBCKFNSA-N 1 2 344.415 2.396 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605870 528856041 /nfs/dbraw/zinc/85/60/41/528856041.db2.gz KGTXZPKJVKHXDG-SCLBCKFNSA-N 1 2 344.415 2.396 20 30 EEEDLO N#CCCN(C(=O)CCC(=O)OCCn1cc[nH+]c1)c1ccccc1 ZINC000771959964 577241665 /nfs/dbraw/zinc/24/16/65/577241665.db2.gz XGNFUCIJZSFQJF-UHFFFAOYSA-N 1 2 340.383 2.153 20 30 EEEDLO C#C[C@H](Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCO1 ZINC000772255765 577259981 /nfs/dbraw/zinc/25/99/81/577259981.db2.gz KRLAUVLAUNUIAL-HOTGVXAUSA-N 1 2 338.367 2.375 20 30 EEEDLO C[C@@H](O[NH+]=C(N)c1ccc(F)cc1)C(=O)NCc1ccccc1F ZINC000734092314 577277270 /nfs/dbraw/zinc/27/72/70/577277270.db2.gz KNWMQSCPQABMOK-LLVKDONJSA-N 1 2 333.338 2.307 20 30 EEEDLO C#CCOc1ccccc1CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000734219022 577283263 /nfs/dbraw/zinc/28/32/63/577283263.db2.gz YUOWTABKUDXNHW-KRWDZBQOSA-N 1 2 338.411 2.442 20 30 EEEDLO C#C[C@@H](NC(=O)NCCC[N@@H+](CC)c1ccccc1)[C@H]1CCCO1 ZINC000773138305 577318613 /nfs/dbraw/zinc/31/86/13/577318613.db2.gz UDPVNBITMUUSAG-QZTJIDSGSA-N 1 2 329.444 2.383 20 30 EEEDLO C#C[C@@H](NC(=O)NCCC[N@H+](CC)c1ccccc1)[C@H]1CCCO1 ZINC000773138305 577318614 /nfs/dbraw/zinc/31/86/14/577318614.db2.gz UDPVNBITMUUSAG-QZTJIDSGSA-N 1 2 329.444 2.383 20 30 EEEDLO C#C[C@@H]([NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)[C@H]1CCCO1 ZINC000775343882 577435501 /nfs/dbraw/zinc/43/55/01/577435501.db2.gz ZESFVEJXMPXFIO-GDBMZVCRSA-N 1 2 334.782 2.330 20 30 EEEDLO C[N@H+](C[C@H]1OCCc2ccccc21)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766619342 577522206 /nfs/dbraw/zinc/52/22/06/577522206.db2.gz JMSYNCNZEJKMME-HXUWFJFHSA-N 1 2 349.434 2.412 20 30 EEEDLO C[N@@H+](C[C@H]1OCCc2ccccc21)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766619342 577522207 /nfs/dbraw/zinc/52/22/07/577522207.db2.gz JMSYNCNZEJKMME-HXUWFJFHSA-N 1 2 349.434 2.412 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@](CC)(c2ccc(Cl)cc2)C1=O ZINC000766666612 577523002 /nfs/dbraw/zinc/52/30/02/577523002.db2.gz XZWDMPABTMGPCV-YVEFUNNKSA-N 1 2 333.819 2.408 20 30 EEEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@](CC)(c2ccc(Cl)cc2)C1=O ZINC000766666612 577523003 /nfs/dbraw/zinc/52/30/03/577523003.db2.gz XZWDMPABTMGPCV-YVEFUNNKSA-N 1 2 333.819 2.408 20 30 EEEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000766895823 577526588 /nfs/dbraw/zinc/52/65/88/577526588.db2.gz IPUUGMJTBGKEBD-UHFFFAOYSA-N 1 2 326.849 2.060 20 30 EEEDLO CCN(CC)C(=O)CCC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758248252 577620058 /nfs/dbraw/zinc/62/00/58/577620058.db2.gz KULXUNNRTCZKNT-UHFFFAOYSA-N 1 2 344.459 2.038 20 30 EEEDLO O=C1Nc2ccc(Cl)cc2C1=NNc1ccc(-n2cc[nH+]c2)nn1 ZINC000761860528 577690240 /nfs/dbraw/zinc/69/02/40/577690240.db2.gz KRXSOMLNOAXIDJ-UHFFFAOYSA-N 1 2 339.746 2.084 20 30 EEEDLO C=CCN1CC(=O)N(Cc2[nH+]ccn2CCCc2ccccc2)C1=O ZINC000761924539 577691539 /nfs/dbraw/zinc/69/15/39/577691539.db2.gz CTUWCQFZJIKKRV-UHFFFAOYSA-N 1 2 338.411 2.466 20 30 EEEDLO CCOC(=O)[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)C1CCOCC1 ZINC000755192697 577821562 /nfs/dbraw/zinc/82/15/62/577821562.db2.gz OTDLXWLIMBYONJ-QGZVFWFLSA-N 1 2 332.400 2.015 20 30 EEEDLO COc1cccc(N[NH+]=Cc2c(C)nn(C)c2N2CCOCC2)c1 ZINC000755609194 577827816 /nfs/dbraw/zinc/82/78/16/577827816.db2.gz SGGOIFMQSMEDBK-UHFFFAOYSA-N 1 2 329.404 2.020 20 30 EEEDLO C[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000745079564 577907804 /nfs/dbraw/zinc/90/78/04/577907804.db2.gz NEEBRMKEYPDHFZ-BHEGOAEISA-N 1 2 349.475 2.333 20 30 EEEDLO C[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000745079564 577907805 /nfs/dbraw/zinc/90/78/05/577907805.db2.gz NEEBRMKEYPDHFZ-BHEGOAEISA-N 1 2 349.475 2.333 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2cc(C)n(CC=C)c2C)CC1 ZINC000735941232 578173393 /nfs/dbraw/zinc/17/33/93/578173393.db2.gz ZRPBDENRNKFYNS-UHFFFAOYSA-N 1 2 342.439 2.362 20 30 EEEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c(CC)cccc2CC)CC1 ZINC000736329478 578196485 /nfs/dbraw/zinc/19/64/85/578196485.db2.gz HUUFZXCSGABSAK-UHFFFAOYSA-N 1 2 334.485 2.141 20 30 EEEDLO c1ccc(N2CCC(=NNCc3ccc(-c4nn[nH]n4)cc3)CC2)[nH+]c1 ZINC000823787007 607254921 /nfs/dbraw/zinc/25/49/21/607254921.db2.gz HJVZGANPQCNDLY-UHFFFAOYSA-N 1 2 348.414 2.008 20 30 EEEDLO Cc1nc(C(=O)N[C@@H](C)C2C[NH+](Cc3cc(C#N)ccc3F)C2)co1 ZINC000969528992 675090196 /nfs/dbraw/zinc/09/01/96/675090196.db2.gz IKEHBEBTRCHLSY-NSHDSACASA-N 1 2 342.374 2.244 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnsc3Cl)C2)C1 ZINC001020562706 675138083 /nfs/dbraw/zinc/13/80/83/675138083.db2.gz LMGQGCWZCHDYTI-MGCOHNPYSA-N 1 2 326.853 2.285 20 30 EEEDLO C[C@@H](NC(=O)c1nccs1)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000970638315 676041663 /nfs/dbraw/zinc/04/16/63/676041663.db2.gz YFXFYHCVNOSQEZ-CYBMUJFWSA-N 1 2 343.427 2.384 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c(Cl)nn(C)c2C)C1 ZINC000970810799 676166688 /nfs/dbraw/zinc/16/66/88/676166688.db2.gz QPSUZLHDFLJDAQ-VIFPVBQESA-N 1 2 331.247 2.185 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cscc3Cl)CC2)C1 ZINC000949391590 676197961 /nfs/dbraw/zinc/19/79/61/676197961.db2.gz KYPIXNAYNYRQFD-UHFFFAOYSA-N 1 2 338.860 2.342 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cscc3Cl)CC2)C1 ZINC000949391590 676197962 /nfs/dbraw/zinc/19/79/62/676197962.db2.gz KYPIXNAYNYRQFD-UHFFFAOYSA-N 1 2 338.860 2.342 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000970110672 675516509 /nfs/dbraw/zinc/51/65/09/675516509.db2.gz VLIZPTPTGTVNDQ-LBPRGKRZSA-N 1 2 347.846 2.374 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](OC)C2CCC2)C1 ZINC000972027876 678008332 /nfs/dbraw/zinc/00/83/32/678008332.db2.gz WUXWFGRLASNCRA-KBPBESRZSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](OC)C2CCC2)C1 ZINC000972027876 678008334 /nfs/dbraw/zinc/00/83/34/678008334.db2.gz WUXWFGRLASNCRA-KBPBESRZSA-N 1 2 345.281 2.243 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@H]4CN(CC#N)CC[C@H]43)ccn12 ZINC001021586585 676240555 /nfs/dbraw/zinc/24/05/55/676240555.db2.gz CNQVBYXYQYQUDU-DLBZAZTESA-N 1 2 337.427 2.093 20 30 EEEDLO CCc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)cs1 ZINC000971375516 676508506 /nfs/dbraw/zinc/50/85/06/676508506.db2.gz ASDSVSCSWCYACD-OAHLLOKOSA-N 1 2 343.456 2.252 20 30 EEEDLO CCc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)cs1 ZINC000971375516 676508507 /nfs/dbraw/zinc/50/85/07/676508507.db2.gz ASDSVSCSWCYACD-OAHLLOKOSA-N 1 2 343.456 2.252 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001021938763 676554753 /nfs/dbraw/zinc/55/47/53/676554753.db2.gz ZJZGHXZJLOIZGD-GMBSWORKSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001021938763 676554754 /nfs/dbraw/zinc/55/47/54/676554754.db2.gz ZJZGHXZJLOIZGD-GMBSWORKSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000971713723 676754074 /nfs/dbraw/zinc/75/40/74/676754074.db2.gz OQQRWNGRYBYQKL-RDBSUJKOSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000971713723 676754076 /nfs/dbraw/zinc/75/40/76/676754076.db2.gz OQQRWNGRYBYQKL-RDBSUJKOSA-N 1 2 345.281 2.243 20 30 EEEDLO Cc1n[nH]cc1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000972052752 676920266 /nfs/dbraw/zinc/92/02/66/676920266.db2.gz NDJBYIZKPAHVBS-INIZCTEOSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1n[nH]cc1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000972052752 676920269 /nfs/dbraw/zinc/92/02/69/676920269.db2.gz NDJBYIZKPAHVBS-INIZCTEOSA-N 1 2 341.390 2.075 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@@H]([N@H+](C)Cc3nc(C)oc3C)C2)c1 ZINC000972285050 678495184 /nfs/dbraw/zinc/49/51/84/678495184.db2.gz OUQFKQZZLZMNLE-QGZVFWFLSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3nc(C)oc3C)C2)c1 ZINC000972285050 678495186 /nfs/dbraw/zinc/49/51/86/678495186.db2.gz OUQFKQZZLZMNLE-QGZVFWFLSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncc(C)s3)C2)c1 ZINC000972284963 678495234 /nfs/dbraw/zinc/49/52/34/678495234.db2.gz NTBFLFYIQPQDJN-MRXNPFEDSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncc(C)s3)C2)c1 ZINC000972284963 678495236 /nfs/dbraw/zinc/49/52/36/678495236.db2.gz NTBFLFYIQPQDJN-MRXNPFEDSA-N 1 2 340.452 2.174 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Oc3ccccc3F)C2)C1 ZINC000972389103 678666610 /nfs/dbraw/zinc/66/66/10/678666610.db2.gz DOZYNWCQYQQBEI-HNAYVOBHSA-N 1 2 348.418 2.082 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Oc3ccccc3F)C2)C1 ZINC000972389103 678666611 /nfs/dbraw/zinc/66/66/11/678666611.db2.gz DOZYNWCQYQQBEI-HNAYVOBHSA-N 1 2 348.418 2.082 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4c(o3)CCCC4)C2)C1 ZINC000972410333 678700499 /nfs/dbraw/zinc/70/04/99/678700499.db2.gz UVFSPGCIXRQQEG-IBGZPJMESA-N 1 2 330.428 2.261 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4c(o3)CCCC4)C2)C1 ZINC000972410333 678700502 /nfs/dbraw/zinc/70/05/02/678700502.db2.gz UVFSPGCIXRQQEG-IBGZPJMESA-N 1 2 330.428 2.261 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3ccc(F)cc3)C2)C1 ZINC000972452353 678769745 /nfs/dbraw/zinc/76/97/45/678769745.db2.gz BIRUYZMPMDVMGR-LJQANCHMSA-N 1 2 332.419 2.248 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3ccc(F)cc3)C2)C1 ZINC000972452353 678769748 /nfs/dbraw/zinc/76/97/48/678769748.db2.gz BIRUYZMPMDVMGR-LJQANCHMSA-N 1 2 332.419 2.248 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)c3cccc(F)c3)C2)C1 ZINC000972546549 679242699 /nfs/dbraw/zinc/24/26/99/679242699.db2.gz PNIIHMIJKJYSDY-UZLBHIALSA-N 1 2 344.430 2.256 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)c3cccc(F)c3)C2)C1 ZINC000972546549 679242701 /nfs/dbraw/zinc/24/27/01/679242701.db2.gz PNIIHMIJKJYSDY-UZLBHIALSA-N 1 2 344.430 2.256 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)c3c(C)noc3C)C2)C1 ZINC000972598536 679400504 /nfs/dbraw/zinc/40/05/04/679400504.db2.gz GTCDNSUCWPYOFU-VQIMIIECSA-N 1 2 347.459 2.274 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)c3c(C)noc3C)C2)C1 ZINC000972598536 679400506 /nfs/dbraw/zinc/40/05/06/679400506.db2.gz GTCDNSUCWPYOFU-VQIMIIECSA-N 1 2 347.459 2.274 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC000972625995 679449490 /nfs/dbraw/zinc/44/94/90/679449490.db2.gz PSGNVFQVXVAYNY-HKUYNNGSSA-N 1 2 345.418 2.157 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC000972625995 679449491 /nfs/dbraw/zinc/44/94/91/679449491.db2.gz PSGNVFQVXVAYNY-HKUYNNGSSA-N 1 2 345.418 2.157 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4[nH]ccc4s3)C2)C1 ZINC000972655500 679519922 /nfs/dbraw/zinc/51/99/22/679519922.db2.gz LKGQVLKPHKBFBB-QGZVFWFLSA-N 1 2 331.441 2.332 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4[nH]ccc4s3)C2)C1 ZINC000972655500 679519923 /nfs/dbraw/zinc/51/99/23/679519923.db2.gz LKGQVLKPHKBFBB-QGZVFWFLSA-N 1 2 331.441 2.332 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3Cc4ccc(Cl)cc43)C2)C1 ZINC000972660031 679525961 /nfs/dbraw/zinc/52/59/61/679525961.db2.gz RVIOXCAXWBYKHG-HKUYNNGSSA-N 1 2 346.858 2.469 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3Cc4ccc(Cl)cc43)C2)C1 ZINC000972660031 679525965 /nfs/dbraw/zinc/52/59/65/679525965.db2.gz RVIOXCAXWBYKHG-HKUYNNGSSA-N 1 2 346.858 2.469 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(Cl)cc3)C2)C1 ZINC000972662498 679531217 /nfs/dbraw/zinc/53/12/17/679531217.db2.gz QBWPJTCCWBYUSI-IBGZPJMESA-N 1 2 346.858 2.209 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(Cl)cc3)C2)C1 ZINC000972662498 679531218 /nfs/dbraw/zinc/53/12/18/679531218.db2.gz QBWPJTCCWBYUSI-IBGZPJMESA-N 1 2 346.858 2.209 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)COc3ccc(C)cc3C)C2)C1 ZINC000972668727 679557575 /nfs/dbraw/zinc/55/75/75/679557575.db2.gz CCDSRJIMGYYLAV-FQEVSTJZSA-N 1 2 344.455 2.172 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)COc3ccc(C)cc3C)C2)C1 ZINC000972668727 679557577 /nfs/dbraw/zinc/55/75/77/679557577.db2.gz CCDSRJIMGYYLAV-FQEVSTJZSA-N 1 2 344.455 2.172 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccn3C(C)C)C2)C1 ZINC000972679389 679592804 /nfs/dbraw/zinc/59/28/04/679592804.db2.gz YTFQEHMJAVWKIG-LJQANCHMSA-N 1 2 329.444 2.009 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccn3C(C)C)C2)C1 ZINC000972679389 679592806 /nfs/dbraw/zinc/59/28/06/679592806.db2.gz YTFQEHMJAVWKIG-LJQANCHMSA-N 1 2 329.444 2.009 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Cc3ccccc3)C2)C1 ZINC000972684223 679599341 /nfs/dbraw/zinc/59/93/41/679599341.db2.gz JBTZYSRDCPCHDB-WIYYLYMNSA-N 1 2 340.467 2.192 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Cc3ccccc3)C2)C1 ZINC000972684223 679599342 /nfs/dbraw/zinc/59/93/42/679599342.db2.gz JBTZYSRDCPCHDB-WIYYLYMNSA-N 1 2 340.467 2.192 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cncc4ccccc43)C2)C1 ZINC000972688851 679605849 /nfs/dbraw/zinc/60/58/49/679605849.db2.gz RCJCBGKSQBVEMT-NRFANRHFSA-N 1 2 349.434 2.175 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cncc4ccccc43)C2)C1 ZINC000972688851 679605852 /nfs/dbraw/zinc/60/58/52/679605852.db2.gz RCJCBGKSQBVEMT-NRFANRHFSA-N 1 2 349.434 2.175 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2cocn2)s1 ZINC001024362422 679879456 /nfs/dbraw/zinc/87/94/56/679879456.db2.gz KONKOKAXONOKFX-GFCCVEGCSA-N 1 2 330.413 2.392 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2cocn2)s1 ZINC001024362422 679879457 /nfs/dbraw/zinc/87/94/57/679879457.db2.gz KONKOKAXONOKFX-GFCCVEGCSA-N 1 2 330.413 2.392 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cncc(F)c2)c[nH]1 ZINC001024400323 679889937 /nfs/dbraw/zinc/88/99/37/679889937.db2.gz WPXXBMTYCSITPD-QGZVFWFLSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cncc(F)c2)c[nH]1 ZINC001024400323 679889938 /nfs/dbraw/zinc/88/99/38/679889938.db2.gz WPXXBMTYCSITPD-QGZVFWFLSA-N 1 2 341.390 2.205 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CCOC1 ZINC001006899954 679991163 /nfs/dbraw/zinc/99/11/63/679991163.db2.gz VAUSUNDLSJBLOY-SJLPKXTDSA-N 1 2 346.858 2.309 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CCOC1 ZINC001006899954 679991169 /nfs/dbraw/zinc/99/11/69/679991169.db2.gz VAUSUNDLSJBLOY-SJLPKXTDSA-N 1 2 346.858 2.309 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)nnn3C)C(C)(C)C1 ZINC000974735142 685356210 /nfs/dbraw/zinc/35/62/10/685356210.db2.gz MAAIJNDXMCYGBF-OAHLLOKOSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)nnn3C)C(C)(C)C1 ZINC000974735142 685356217 /nfs/dbraw/zinc/35/62/17/685356217.db2.gz MAAIJNDXMCYGBF-OAHLLOKOSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCn3nccc32)C(C)(C)C1 ZINC000974740608 685382803 /nfs/dbraw/zinc/38/28/03/685382803.db2.gz GPQKAINVBRMCHE-UKRRQHHQSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCn3nccc32)C(C)(C)C1 ZINC000974740608 685382810 /nfs/dbraw/zinc/38/28/10/685382810.db2.gz GPQKAINVBRMCHE-UKRRQHHQSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cnc2c(c1)ncn2C ZINC001024592571 681253345 /nfs/dbraw/zinc/25/33/45/681253345.db2.gz OMMDIMUYUOYTKT-AWEZNQCLSA-N 1 2 347.850 2.305 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnc2c(c1)ncn2C ZINC001024592571 681253349 /nfs/dbraw/zinc/25/33/49/681253349.db2.gz OMMDIMUYUOYTKT-AWEZNQCLSA-N 1 2 347.850 2.305 20 30 EEEDLO C[C@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000982826465 681339492 /nfs/dbraw/zinc/33/94/92/681339492.db2.gz NIVAQZGOPJKFEG-PBHICJAKSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000982826465 681339494 /nfs/dbraw/zinc/33/94/94/681339494.db2.gz NIVAQZGOPJKFEG-PBHICJAKSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000982828156 681342467 /nfs/dbraw/zinc/34/24/67/681342467.db2.gz ULZYKXKFYMTAGL-MAUKXSAKSA-N 1 2 327.428 2.018 20 30 EEEDLO C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000982828156 681342470 /nfs/dbraw/zinc/34/24/70/681342470.db2.gz ULZYKXKFYMTAGL-MAUKXSAKSA-N 1 2 327.428 2.018 20 30 EEEDLO C=CCCn1cc(C(=O)NC[C@H]2CCCC[N@H+]2CC(=C)Cl)nn1 ZINC001024698494 681359012 /nfs/dbraw/zinc/35/90/12/681359012.db2.gz JMGNWWZFBLNQIL-CQSZACIVSA-N 1 2 337.855 2.191 20 30 EEEDLO C=CCCn1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=C)Cl)nn1 ZINC001024698494 681359017 /nfs/dbraw/zinc/35/90/17/681359017.db2.gz JMGNWWZFBLNQIL-CQSZACIVSA-N 1 2 337.855 2.191 20 30 EEEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(P(C)(C)=O)cc1 ZINC001024809809 681457967 /nfs/dbraw/zinc/45/79/67/681457967.db2.gz XIGYPWJZVCMETB-MRXNPFEDSA-N 1 2 332.384 2.152 20 30 EEEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(P(C)(C)=O)cc1 ZINC001024809809 681457968 /nfs/dbraw/zinc/45/79/68/681457968.db2.gz XIGYPWJZVCMETB-MRXNPFEDSA-N 1 2 332.384 2.152 20 30 EEEDLO Cc1nonc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024824229 681473495 /nfs/dbraw/zinc/47/34/95/681473495.db2.gz LVKQEPROIIVBFF-MRXNPFEDSA-N 1 2 339.399 2.034 20 30 EEEDLO Cc1nonc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024824229 681473500 /nfs/dbraw/zinc/47/35/00/681473500.db2.gz LVKQEPROIIVBFF-MRXNPFEDSA-N 1 2 339.399 2.034 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]c(C)cc3=O)C[C@@]2(C)C1 ZINC000982702544 682056450 /nfs/dbraw/zinc/05/64/50/682056450.db2.gz KMKRWAQPUFZEJC-HDICACEKSA-N 1 2 349.862 2.220 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]c(C)cc3=O)C[C@@]2(C)C1 ZINC000982702544 682056455 /nfs/dbraw/zinc/05/64/55/682056455.db2.gz KMKRWAQPUFZEJC-HDICACEKSA-N 1 2 349.862 2.220 20 30 EEEDLO C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1=NC(=O)N(C)C1 ZINC001025266097 682351056 /nfs/dbraw/zinc/35/10/56/682351056.db2.gz IYWKCAHYAQZFJI-HOTGVXAUSA-N 1 2 332.448 2.161 20 30 EEEDLO C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1=NC(=O)N(C)C1 ZINC001025266097 682351058 /nfs/dbraw/zinc/35/10/58/682351058.db2.gz IYWKCAHYAQZFJI-HOTGVXAUSA-N 1 2 332.448 2.161 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2nc(C)c[nH]2)C[C@@H]1C ZINC000947789014 682711518 /nfs/dbraw/zinc/71/15/18/682711518.db2.gz NSQJZVGNXSCFDA-RYUDHWBXSA-N 1 2 341.253 2.209 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2nc(C)c[nH]2)C[C@@H]1C ZINC000947789014 682711520 /nfs/dbraw/zinc/71/15/20/682711520.db2.gz NSQJZVGNXSCFDA-RYUDHWBXSA-N 1 2 341.253 2.209 20 30 EEEDLO Cc1[nH]nc(Cl)c1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001038335994 683274298 /nfs/dbraw/zinc/27/42/98/683274298.db2.gz PCMGPQCPCUADGK-AWEZNQCLSA-N 1 2 343.818 2.248 20 30 EEEDLO Cc1[nH]nc(Cl)c1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001038335994 683274302 /nfs/dbraw/zinc/27/43/02/683274302.db2.gz PCMGPQCPCUADGK-AWEZNQCLSA-N 1 2 343.818 2.248 20 30 EEEDLO C=CCCn1cc(C(=O)NC2C[NH+]([C@@H](C)c3cccc(C)c3)C2)nn1 ZINC001031079807 683691070 /nfs/dbraw/zinc/69/10/70/683691070.db2.gz MTMOHBZTVIYDQE-HNNXBMFYSA-N 1 2 339.443 2.338 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2ccon2)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000993044743 683792293 /nfs/dbraw/zinc/79/22/93/683792293.db2.gz AXRDOVOKNFBMCR-MLGOLLRUSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2ccon2)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000993044743 683792297 /nfs/dbraw/zinc/79/22/97/683792297.db2.gz AXRDOVOKNFBMCR-MLGOLLRUSA-N 1 2 342.374 2.468 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)sc1C ZINC001007142794 683894500 /nfs/dbraw/zinc/89/45/00/683894500.db2.gz KGEDOPACFFAXBF-AWEZNQCLSA-N 1 2 343.456 2.354 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)sc1C ZINC001007142794 683894503 /nfs/dbraw/zinc/89/45/03/683894503.db2.gz KGEDOPACFFAXBF-AWEZNQCLSA-N 1 2 343.456 2.354 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cn(C)cn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993193872 684066624 /nfs/dbraw/zinc/06/66/24/684066624.db2.gz BTZWQGCYQZWFPD-YOEHRIQHSA-N 1 2 337.427 2.075 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cn(C)cn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993193872 684066630 /nfs/dbraw/zinc/06/66/30/684066630.db2.gz BTZWQGCYQZWFPD-YOEHRIQHSA-N 1 2 337.427 2.075 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000984354432 684458051 /nfs/dbraw/zinc/45/80/51/684458051.db2.gz BGEZYZOVLYJRTO-QGZVFWFLSA-N 1 2 344.459 2.079 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCCCC1 ZINC001029453576 684703160 /nfs/dbraw/zinc/70/31/60/684703160.db2.gz ZFLTXLQTWWEPGK-QKLQHJQFSA-N 1 2 347.503 2.276 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCCCC1 ZINC001029453576 684703162 /nfs/dbraw/zinc/70/31/62/684703162.db2.gz ZFLTXLQTWWEPGK-QKLQHJQFSA-N 1 2 347.503 2.276 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2cnn3ccccc23)C(C)(C)C1 ZINC000974667600 685183456 /nfs/dbraw/zinc/18/34/56/685183456.db2.gz CFSILNVKWYJSHI-INIZCTEOSA-N 1 2 346.862 2.456 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2cnn3ccccc23)C(C)(C)C1 ZINC000974667600 685183459 /nfs/dbraw/zinc/18/34/59/685183459.db2.gz CFSILNVKWYJSHI-INIZCTEOSA-N 1 2 346.862 2.456 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)n(C)n3)CC2(C)C)C1 ZINC000975025127 686037734 /nfs/dbraw/zinc/03/77/34/686037734.db2.gz IAXPIFYXZLAIOT-MRXNPFEDSA-N 1 2 330.476 2.411 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)n(C)n3)CC2(C)C)C1 ZINC000975025127 686037737 /nfs/dbraw/zinc/03/77/37/686037737.db2.gz IAXPIFYXZLAIOT-MRXNPFEDSA-N 1 2 330.476 2.411 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@]2(NC(=O)c3c[nH]cc4ncnc3-4)CCC[C@H]12 ZINC000990847893 693986104 /nfs/dbraw/zinc/98/61/04/693986104.db2.gz HHHVIWVUVZTTHO-MAUKXSAKSA-N 1 2 325.416 2.261 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3c[nH]cc4ncnc3-4)CCC[C@H]12 ZINC000990847893 693986106 /nfs/dbraw/zinc/98/61/06/693986106.db2.gz HHHVIWVUVZTTHO-MAUKXSAKSA-N 1 2 325.416 2.261 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nccs2)CC1(C)C ZINC000975068634 686095698 /nfs/dbraw/zinc/09/56/98/686095698.db2.gz YDGMFOOCSFWEEF-HZSPNIEDSA-N 1 2 335.473 2.061 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2nccs2)CC1(C)C ZINC000975068634 686095700 /nfs/dbraw/zinc/09/57/00/686095700.db2.gz YDGMFOOCSFWEEF-HZSPNIEDSA-N 1 2 335.473 2.061 20 30 EEEDLO CC(C)c1nnc(C[N@H+](C)C2CCN(C(=O)[C@H](C)C#N)CC2)s1 ZINC000985331207 686341801 /nfs/dbraw/zinc/34/18/01/686341801.db2.gz DINXZVPDTBPLHM-GFCCVEGCSA-N 1 2 335.477 2.244 20 30 EEEDLO CC(C)c1nnc(C[N@@H+](C)C2CCN(C(=O)[C@H](C)C#N)CC2)s1 ZINC000985331207 686341809 /nfs/dbraw/zinc/34/18/09/686341809.db2.gz DINXZVPDTBPLHM-GFCCVEGCSA-N 1 2 335.477 2.244 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(CC)n3)[C@@H](C)C2)C1 ZINC000947702502 687406720 /nfs/dbraw/zinc/40/67/20/687406720.db2.gz OVFMRHMXODFGAP-GJZGRUSLSA-N 1 2 331.464 2.123 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cnn(CC)n3)[C@@H](C)C2)C1 ZINC000947702502 687406724 /nfs/dbraw/zinc/40/67/24/687406724.db2.gz OVFMRHMXODFGAP-GJZGRUSLSA-N 1 2 331.464 2.123 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(CC)n3)[C@H](C)C2)C1 ZINC000947702503 687406772 /nfs/dbraw/zinc/40/67/72/687406772.db2.gz OVFMRHMXODFGAP-HUUCEWRRSA-N 1 2 331.464 2.123 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(CC)n3)[C@H](C)C2)C1 ZINC000947702503 687406776 /nfs/dbraw/zinc/40/67/76/687406776.db2.gz OVFMRHMXODFGAP-HUUCEWRRSA-N 1 2 331.464 2.123 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001059700557 688315294 /nfs/dbraw/zinc/31/52/94/688315294.db2.gz SNPBFQZPUWFRQE-OAHLLOKOSA-N 1 2 344.459 2.075 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)on1 ZINC001027751579 694333023 /nfs/dbraw/zinc/33/30/23/694333023.db2.gz KSYXMTDFIZBUDD-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)on1 ZINC001027751579 694333047 /nfs/dbraw/zinc/33/30/47/694333047.db2.gz KSYXMTDFIZBUDD-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3nc(CC)no3)C[C@H]2C)cc1 ZINC000989280346 691572822 /nfs/dbraw/zinc/57/28/22/691572822.db2.gz GUZPMBQQTNLXHD-CZUORRHYSA-N 1 2 338.411 2.006 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3cc(C)ns3)CC2)nc1 ZINC000989512375 692000561 /nfs/dbraw/zinc/00/05/61/692000561.db2.gz HAGSMEHLVVEORX-UHFFFAOYSA-N 1 2 340.452 2.176 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](Cc3cc(C)ns3)CC2)nc1 ZINC000989512375 692000565 /nfs/dbraw/zinc/00/05/65/692000565.db2.gz HAGSMEHLVVEORX-UHFFFAOYSA-N 1 2 340.452 2.176 20 30 EEEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000898550732 693368616 /nfs/dbraw/zinc/36/86/16/693368616.db2.gz DUIWKXPPBCFKNZ-QGZVFWFLSA-N 1 2 340.427 2.165 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001038133408 693679828 /nfs/dbraw/zinc/67/98/28/693679828.db2.gz MZHDDNFJZREERS-IMBTUZDBSA-N 1 2 339.439 2.303 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001038133408 693679831 /nfs/dbraw/zinc/67/98/31/693679831.db2.gz MZHDDNFJZREERS-IMBTUZDBSA-N 1 2 339.439 2.303 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cccc2[nH]cnc21 ZINC001032068414 1192101952 /nfs/dbraw/zinc/10/19/52/1192101952.db2.gz VDSFVOAEHPAEOD-UHFFFAOYSA-N 1 2 344.418 2.276 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H](C)CO2)CC1 ZINC001005737016 1196779034 /nfs/dbraw/zinc/77/90/34/1196779034.db2.gz WDNCGXUBVYHYBV-RISCZKNCSA-N 1 2 345.281 2.243 20 30 EEEDLO CC[N@H+](CCCNC(=O)C#CC(C)C)Cc1nc(CC2CC2)no1 ZINC001752181437 1179389718 /nfs/dbraw/zinc/38/97/18/1179389718.db2.gz YMZFPVHBVKEVNN-UHFFFAOYSA-N 1 2 332.448 2.010 20 30 EEEDLO CC[N@@H+](CCCNC(=O)C#CC(C)C)Cc1nc(CC2CC2)no1 ZINC001752181437 1179389725 /nfs/dbraw/zinc/38/97/25/1179389725.db2.gz YMZFPVHBVKEVNN-UHFFFAOYSA-N 1 2 332.448 2.010 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)Cn1nc(C)c2cccnc21 ZINC001481050077 1179627570 /nfs/dbraw/zinc/62/75/70/1179627570.db2.gz VYLUEWGMXNNSEN-AWEZNQCLSA-N 1 2 347.850 2.073 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1nc(C)c2cccnc21 ZINC001481050077 1179627572 /nfs/dbraw/zinc/62/75/72/1179627572.db2.gz VYLUEWGMXNNSEN-AWEZNQCLSA-N 1 2 347.850 2.073 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2ccco2)C1 ZINC001267748330 1180393073 /nfs/dbraw/zinc/39/30/73/1180393073.db2.gz VYTBLIXDCKPSGV-LSDHHAIUSA-N 1 2 333.432 2.004 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccco2)C1 ZINC001267748330 1180393079 /nfs/dbraw/zinc/39/30/79/1180393079.db2.gz VYTBLIXDCKPSGV-LSDHHAIUSA-N 1 2 333.432 2.004 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2COc3ccccc32)C1 ZINC001032224597 1193274398 /nfs/dbraw/zinc/27/43/98/1193274398.db2.gz BWGUTZDBPADFLO-LJQANCHMSA-N 1 2 347.418 2.282 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126639405 1187023607 /nfs/dbraw/zinc/02/36/07/1187023607.db2.gz MWRKWDWTKHRKDH-KGLIPLIRSA-N 1 2 332.448 2.097 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCOC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088501386 1187054615 /nfs/dbraw/zinc/05/46/15/1187054615.db2.gz UVAMRHAXXHWZET-GLJUWKHASA-N 1 2 345.418 2.203 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCOC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088501386 1187054618 /nfs/dbraw/zinc/05/46/18/1187054618.db2.gz UVAMRHAXXHWZET-GLJUWKHASA-N 1 2 345.418 2.203 20 30 EEEDLO C=CCCC(=O)N[C@@H](C)C1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001126711248 1187329384 /nfs/dbraw/zinc/32/93/84/1187329384.db2.gz OWGKENQOUFYGNS-ZDUSSCGKSA-N 1 2 342.447 2.051 20 30 EEEDLO C=CCCC1(C(=O)NC[C@@H](C)Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001098243944 1187521190 /nfs/dbraw/zinc/52/11/90/1187521190.db2.gz IYMAXOGTMCMBCH-GFCCVEGCSA-N 1 2 328.420 2.026 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCCC(C)(C)C)C2)nn1 ZINC001098645424 1187866246 /nfs/dbraw/zinc/86/62/46/1187866246.db2.gz LWTGLSMVTITUDI-KRWDZBQOSA-N 1 2 345.491 2.381 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC3(F)F)[C@@H]2C1 ZINC001075930298 1188024667 /nfs/dbraw/zinc/02/46/67/1188024667.db2.gz DBOKTQPLHNZIQV-QJPTWQEYSA-N 1 2 349.219 2.473 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC3(F)F)[C@@H]2C1 ZINC001075930298 1188024672 /nfs/dbraw/zinc/02/46/72/1188024672.db2.gz DBOKTQPLHNZIQV-QJPTWQEYSA-N 1 2 349.219 2.473 20 30 EEEDLO Cc1nc(N(C)CCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)ccc1C#N ZINC001105580847 1188196660 /nfs/dbraw/zinc/19/66/60/1188196660.db2.gz SDOHODVTYOMMHD-AWEZNQCLSA-N 1 2 340.431 2.004 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CC[C@@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001111604956 1188239266 /nfs/dbraw/zinc/23/92/66/1188239266.db2.gz JOJHZJFCINVIQY-GDBMZVCRSA-N 1 2 332.448 2.417 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)C(F)F)c2)C1 ZINC001101085693 1188593913 /nfs/dbraw/zinc/59/39/13/1188593913.db2.gz WZPBAMVDYGPCDZ-ZDUSSCGKSA-N 1 2 345.777 2.169 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](Oc2ccnc(CNC(=O)C(F)F)c2)C1 ZINC001101085693 1188593918 /nfs/dbraw/zinc/59/39/18/1188593918.db2.gz WZPBAMVDYGPCDZ-ZDUSSCGKSA-N 1 2 345.777 2.169 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ncc(C)o4)C[C@H]32)cc1 ZINC001076117423 1188727323 /nfs/dbraw/zinc/72/73/23/1188727323.db2.gz JBNRVAQKPSTGPE-ZWKOTPCHSA-N 1 2 335.407 2.311 20 30 EEEDLO 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/nfs/dbraw/zinc/40/12/10/1204401210.db2.gz ZXOIWGJNGCMUCG-MRXNPFEDSA-N 1 2 337.807 2.040 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095409017 1204895818 /nfs/dbraw/zinc/89/58/18/1204895818.db2.gz SVHGBWPPFFEURF-HNNXBMFYSA-N 1 2 346.475 2.468 20 30 EEEDLO C=C(C)CN1CC[C@]2(CCCN2c2nc(N(C)CC)cc[nH+]2)C1=O ZINC001274735627 1205146931 /nfs/dbraw/zinc/14/69/31/1205146931.db2.gz CWCIYFVEODBSHL-GOSISDBHSA-N 1 2 329.448 2.080 20 30 EEEDLO CC(C)CN1C[C@@]2(CC[N@H+](Cc3cc(F)ccc3C#N)C2)OCC1=O ZINC001274778993 1205160213 /nfs/dbraw/zinc/16/02/13/1205160213.db2.gz YVYNYQANNAJWOY-IBGZPJMESA-N 1 2 345.418 2.157 20 30 EEEDLO CC(C)CN1C[C@@]2(CC[N@@H+](Cc3cc(F)ccc3C#N)C2)OCC1=O ZINC001274778993 1205160216 /nfs/dbraw/zinc/16/02/16/1205160216.db2.gz YVYNYQANNAJWOY-IBGZPJMESA-N 1 2 345.418 2.157 20 30 EEEDLO C#Cc1cccc(C[NH+]2CC3(CCN3C(=O)NCC(F)(F)F)C2)c1 ZINC001276097095 1205779896 /nfs/dbraw/zinc/77/98/96/1205779896.db2.gz RIZQNFVPTYGSNP-UHFFFAOYSA-N 1 2 337.345 2.200 20 30 EEEDLO Cc1cc(N(C)CCCNC(=O)c2ccc(C#N)[nH]2)nc(C2CC2)[nH+]1 ZINC001095519337 1205853220 /nfs/dbraw/zinc/85/32/20/1205853220.db2.gz KNIINKQWQCDLPQ-UHFFFAOYSA-N 1 2 338.415 2.119 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH]c(=O)[nH]c31)C2 ZINC001095551002 1205869944 /nfs/dbraw/zinc/86/99/44/1205869944.db2.gz WMINQBHWBWRJJC-SWHYSGLUSA-N 1 2 346.818 2.356 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH]c(=O)[nH]c31)C2 ZINC001095551002 1205869945 /nfs/dbraw/zinc/86/99/45/1205869945.db2.gz WMINQBHWBWRJJC-SWHYSGLUSA-N 1 2 346.818 2.356 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C)C1 ZINC001015211901 1224920973 /nfs/dbraw/zinc/92/09/73/1224920973.db2.gz FRFPZYMWJVVJLD-ZBFHGGJFSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C)C1 ZINC001015211901 1224920977 /nfs/dbraw/zinc/92/09/77/1224920977.db2.gz FRFPZYMWJVVJLD-ZBFHGGJFSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OC)nn1 ZINC001110988958 1206555406 /nfs/dbraw/zinc/55/54/06/1206555406.db2.gz ASFIORQCFKDSLS-JEWRLFTDSA-N 1 2 344.459 2.309 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(OC)nn1 ZINC001110988958 1206555407 /nfs/dbraw/zinc/55/54/07/1206555407.db2.gz ASFIORQCFKDSLS-JEWRLFTDSA-N 1 2 344.459 2.309 20 30 EEEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000930760289 1206580554 /nfs/dbraw/zinc/58/05/54/1206580554.db2.gz HVRBZVLWQBMEHC-CABCVRRESA-N 1 2 346.431 2.210 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccc2[nH]ccc2n1 ZINC001015252413 1224986838 /nfs/dbraw/zinc/98/68/38/1224986838.db2.gz HTIZXXBNBKAIIJ-QGZVFWFLSA-N 1 2 344.418 2.419 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccc2[nH]ccc2n1 ZINC001015252413 1224986841 /nfs/dbraw/zinc/98/68/41/1224986841.db2.gz HTIZXXBNBKAIIJ-QGZVFWFLSA-N 1 2 344.418 2.419 20 30 EEEDLO CC[C@@H](C)c1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#CCOC)on1 ZINC001111112653 1208255985 /nfs/dbraw/zinc/25/59/85/1208255985.db2.gz XXQXNSITWKWWLM-SRABZTEZSA-N 1 2 345.443 2.173 20 30 EEEDLO CC[C@@H](C)c1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#CCOC)on1 ZINC001111112653 1208255986 /nfs/dbraw/zinc/25/59/86/1208255986.db2.gz XXQXNSITWKWWLM-SRABZTEZSA-N 1 2 345.443 2.173 20 30 EEEDLO C[C@H](C#N)Oc1ccc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000157029082 1208366009 /nfs/dbraw/zinc/36/60/09/1208366009.db2.gz WCEJKSTWSFKSCC-CZUORRHYSA-N 1 2 334.441 2.129 20 30 EEEDLO C[C@H](C#N)Oc1ccc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000157029082 1208366014 /nfs/dbraw/zinc/36/60/14/1208366014.db2.gz WCEJKSTWSFKSCC-CZUORRHYSA-N 1 2 334.441 2.129 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3coc(C)n3)[C@@H](C)C2)c1 ZINC000947710192 1208681644 /nfs/dbraw/zinc/68/16/44/1208681644.db2.gz LDNNCXKZFIAOQB-SUMWQHHRSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3coc(C)n3)[C@@H](C)C2)c1 ZINC000947710192 1208681645 /nfs/dbraw/zinc/68/16/45/1208681645.db2.gz LDNNCXKZFIAOQB-SUMWQHHRSA-N 1 2 338.411 2.142 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC000948941138 1209465409 /nfs/dbraw/zinc/46/54/09/1209465409.db2.gz TVUHDJMVBJGILG-IBGZPJMESA-N 1 2 336.439 2.426 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC000948941138 1209465410 /nfs/dbraw/zinc/46/54/10/1209465410.db2.gz TVUHDJMVBJGILG-IBGZPJMESA-N 1 2 336.439 2.426 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cccnc1OC ZINC000948952948 1209471507 /nfs/dbraw/zinc/47/15/07/1209471507.db2.gz AOKOQWSGXJAAOI-IBGZPJMESA-N 1 2 349.434 2.443 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cccnc1OC ZINC000948952948 1209471510 /nfs/dbraw/zinc/47/15/10/1209471510.db2.gz AOKOQWSGXJAAOI-IBGZPJMESA-N 1 2 349.434 2.443 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cncnc1CC ZINC000948987059 1209491413 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Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)cs1 ZINC001015604359 1225453972 /nfs/dbraw/zinc/45/39/72/1225453972.db2.gz NQDAICVAPSUBLE-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)cs1 ZINC001015604359 1225453977 /nfs/dbraw/zinc/45/39/77/1225453977.db2.gz NQDAICVAPSUBLE-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)Cc2ncccc2F)C1 ZINC001015614091 1225466769 /nfs/dbraw/zinc/46/67/69/1225466769.db2.gz RBZGTLZEEJULLJ-MRXNPFEDSA-N 1 2 338.386 2.026 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)Cc2ncccc2F)C1 ZINC001015614091 1225466772 /nfs/dbraw/zinc/46/67/72/1225466772.db2.gz RBZGTLZEEJULLJ-MRXNPFEDSA-N 1 2 338.386 2.026 20 30 EEEDLO Cc1ncccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001015630717 1225488811 /nfs/dbraw/zinc/48/88/11/1225488811.db2.gz DEOQKNJEBRMTBU-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO C=C1CCC(C(=O)NC2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC000956485019 1213923219 /nfs/dbraw/zinc/92/32/19/1213923219.db2.gz IEVXHQQAVGSNKH-UHFFFAOYSA-N 1 2 344.459 2.127 20 30 EEEDLO Cc1ncccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001015630717 1225488817 /nfs/dbraw/zinc/48/88/17/1225488817.db2.gz DEOQKNJEBRMTBU-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)C3=CCCC3)C2)CC1 ZINC000956599415 1214121385 /nfs/dbraw/zinc/12/13/85/1214121385.db2.gz MYYWRQJVCXQZHW-KRWDZBQOSA-N 1 2 345.487 2.054 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)C3CCC3)C2)CC1 ZINC000956606456 1214127482 /nfs/dbraw/zinc/12/74/82/1214127482.db2.gz SAVYFCRKDJRCNT-PXNSSMCTSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C1CCC(C(=O)N[C@H](C)[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000959302650 1214460634 /nfs/dbraw/zinc/46/06/34/1214460634.db2.gz WBMFHSXLGYURRZ-GDBMZVCRSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn3cc(OC)ccc23)C1 ZINC000956962688 1214709822 /nfs/dbraw/zinc/70/98/22/1214709822.db2.gz HBFVQQSLDPQBKE-UHFFFAOYSA-N 1 2 328.416 2.065 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(OCC)c(OC)c2)C1 ZINC000957372282 1215083491 /nfs/dbraw/zinc/08/34/91/1215083491.db2.gz IWDZUCIKZQXZQY-UHFFFAOYSA-N 1 2 330.428 2.264 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001114718154 1215090892 /nfs/dbraw/zinc/09/08/92/1215090892.db2.gz IKUHNLMOJQBONK-VQFNDLOPSA-N 1 2 327.428 2.292 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001114718154 1215090897 /nfs/dbraw/zinc/09/08/97/1215090897.db2.gz IKUHNLMOJQBONK-VQFNDLOPSA-N 1 2 327.428 2.292 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nnc(C)n3C3CC3)C[C@H]21 ZINC001114725996 1215116260 /nfs/dbraw/zinc/11/62/60/1215116260.db2.gz FQJAWFNLJDARHM-RGPZOAQRSA-N 1 2 343.475 2.070 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C)n3C3CC3)C[C@H]21 ZINC001114725996 1215116262 /nfs/dbraw/zinc/11/62/62/1215116262.db2.gz FQJAWFNLJDARHM-RGPZOAQRSA-N 1 2 343.475 2.070 20 30 EEEDLO 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347.850 2.398 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2=CCOCC2)C1 ZINC001046932391 1235322984 /nfs/dbraw/zinc/32/29/84/1235322984.db2.gz KZALLNOSQYVGKH-ZDUSSCGKSA-N 1 2 334.794 2.159 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2=CCOCC2)C1 ZINC001046932391 1235322986 /nfs/dbraw/zinc/32/29/86/1235322986.db2.gz KZALLNOSQYVGKH-ZDUSSCGKSA-N 1 2 334.794 2.159 20 30 EEEDLO N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)c3cccc4[nH+]ccn43)C2)nc1 ZINC001046959418 1235358649 /nfs/dbraw/zinc/35/86/49/1235358649.db2.gz FWQIJDJPUBDPMN-SHTZXODSSA-N 1 2 346.394 2.221 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001046981728 1235388660 /nfs/dbraw/zinc/38/86/60/1235388660.db2.gz UTXOHFTZRNEPHN-DGAVXFQQSA-N 1 2 348.821 2.380 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001046981728 1235388663 /nfs/dbraw/zinc/38/86/63/1235388663.db2.gz UTXOHFTZRNEPHN-DGAVXFQQSA-N 1 2 348.821 2.380 20 30 EEEDLO Cc1cc(NN=C2C[C@]3(CCOC3)Oc3ccccc32)nc(N)[nH+]1 ZINC000901272057 1235463210 /nfs/dbraw/zinc/46/32/10/1235463210.db2.gz UPSAUQFTCJROQE-KRWDZBQOSA-N 1 2 325.372 2.125 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2nncs2)C3)C1 ZINC001047144366 1235579172 /nfs/dbraw/zinc/57/91/72/1235579172.db2.gz ZGRBIXOVBMMKIQ-IHRRRGAJSA-N 1 2 332.473 2.364 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2nncs2)C3)C1 ZINC001047144366 1235579179 /nfs/dbraw/zinc/57/91/79/1235579179.db2.gz ZGRBIXOVBMMKIQ-IHRRRGAJSA-N 1 2 332.473 2.364 20 30 EEEDLO Cc1ccccc1C(=O)N(C)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047289699 1235816154 /nfs/dbraw/zinc/81/61/54/1235816154.db2.gz IAWQZPVCARQTGE-SFTDATJTSA-N 1 2 348.446 2.164 20 30 EEEDLO Cc1ccccc1C(=O)N(C)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047289699 1235816158 /nfs/dbraw/zinc/81/61/58/1235816158.db2.gz IAWQZPVCARQTGE-SFTDATJTSA-N 1 2 348.446 2.164 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnc(OCC)s2)C1 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/nfs/dbraw/zinc/81/06/30/1239810630.db2.gz SBWMSOFZWJERJC-KHYOSLBOSA-N 1 2 343.475 2.175 20 30 EEEDLO Cc1ncc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccccc2C#N)[nH]1 ZINC001049375227 1240718222 /nfs/dbraw/zinc/71/82/22/1240718222.db2.gz DWXNJFBKPBLZSY-MOPGFXCFSA-N 1 2 349.438 2.469 20 30 EEEDLO Cc1ncc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccccc2C#N)[nH]1 ZINC001049375227 1240718231 /nfs/dbraw/zinc/71/82/31/1240718231.db2.gz DWXNJFBKPBLZSY-MOPGFXCFSA-N 1 2 349.438 2.469 20 30 EEEDLO COCc1nc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@H](C)C#N)cs1 ZINC001049384015 1240745521 /nfs/dbraw/zinc/74/55/21/1240745521.db2.gz ULUCLLOAPCJBMO-VHDGCEQUSA-N 1 2 348.472 2.014 20 30 EEEDLO COCc1nc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@H](C)C#N)cs1 ZINC001049384015 1240745525 /nfs/dbraw/zinc/74/55/25/1240745525.db2.gz ULUCLLOAPCJBMO-VHDGCEQUSA-N 1 2 348.472 2.014 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001073999324 1242896102 /nfs/dbraw/zinc/89/61/02/1242896102.db2.gz 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C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(F)cc2ccncc21 ZINC001050918462 1244622939 /nfs/dbraw/zinc/62/29/39/1244622939.db2.gz VMRMGTJKZJFPPY-MRXNPFEDSA-N 1 2 343.402 2.381 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(F)cc2ccncc21 ZINC001050918462 1244622954 /nfs/dbraw/zinc/62/29/54/1244622954.db2.gz VMRMGTJKZJFPPY-MRXNPFEDSA-N 1 2 343.402 2.381 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(C2CCC2)cnn1C ZINC001050920587 1244629795 /nfs/dbraw/zinc/62/97/95/1244629795.db2.gz ITKZVGDCJTXGLT-INIZCTEOSA-N 1 2 346.475 2.084 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(C2CCC2)cnn1C ZINC001050920587 1244629799 /nfs/dbraw/zinc/62/97/99/1244629799.db2.gz ITKZVGDCJTXGLT-INIZCTEOSA-N 1 2 346.475 2.084 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ncnc2ccsc21 ZINC001050947889 1244694925 /nfs/dbraw/zinc/69/49/25/1244694925.db2.gz CKRMYQZLDCUICV-CYBMUJFWSA-N 1 2 346.456 2.088 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ncnc2ccsc21 ZINC001050947889 1244694932 /nfs/dbraw/zinc/69/49/32/1244694932.db2.gz CKRMYQZLDCUICV-CYBMUJFWSA-N 1 2 346.456 2.088 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3ncnn3CC)CC2)C1 ZINC001052691768 1244763302 /nfs/dbraw/zinc/76/33/02/1244763302.db2.gz YILPRSPJUAMPOD-HNNXBMFYSA-N 1 2 331.464 2.125 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3ncnn3CC)CC2)C1 ZINC001052691768 1244763313 /nfs/dbraw/zinc/76/33/13/1244763313.db2.gz YILPRSPJUAMPOD-HNNXBMFYSA-N 1 2 331.464 2.125 20 30 EEEDLO C=CCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001051102936 1244983181 /nfs/dbraw/zinc/98/31/81/1244983181.db2.gz CUZILOBEUXCJQC-KBPBESRZSA-N 1 2 340.427 2.496 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OC)cc1Cl ZINC001051169888 1245083588 /nfs/dbraw/zinc/08/35/88/1245083588.db2.gz FBSISOBJQRUACE-ZDUSSCGKSA-N 1 2 338.835 2.355 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OC)cc1Cl ZINC001051169888 1245083593 /nfs/dbraw/zinc/08/35/93/1245083593.db2.gz FBSISOBJQRUACE-ZDUSSCGKSA-N 1 2 338.835 2.355 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OC)cc1OC ZINC001051223585 1245411288 /nfs/dbraw/zinc/41/12/88/1245411288.db2.gz PDHTUIHIHBRKHE-HNNXBMFYSA-N 1 2 348.443 2.101 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OC)cc1OC ZINC001051223585 1245411293 /nfs/dbraw/zinc/41/12/93/1245411293.db2.gz PDHTUIHIHBRKHE-HNNXBMFYSA-N 1 2 348.443 2.101 20 30 EEEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3nonc3C)cccc2C1 ZINC001051307085 1245512800 /nfs/dbraw/zinc/51/28/00/1245512800.db2.gz HTYGZLWLLCKPGX-UHFFFAOYSA-N 1 2 346.818 2.419 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3nonc3C)cccc2C1 ZINC001051307085 1245512808 /nfs/dbraw/zinc/51/28/08/1245512808.db2.gz HTYGZLWLLCKPGX-UHFFFAOYSA-N 1 2 346.818 2.419 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NCCN(c1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001101331325 1245672183 /nfs/dbraw/zinc/67/21/83/1245672183.db2.gz YPXMAFQQNDUNJU-LJQANCHMSA-N 1 2 346.475 2.321 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC[C@H]1C(F)F)CCO2 ZINC001053286309 1246142157 /nfs/dbraw/zinc/14/21/57/1246142157.db2.gz YXTRQSXRKUESRB-KGLIPLIRSA-N 1 2 328.403 2.157 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@]1(C)c1ccccc1)CCO2 ZINC001053351185 1246221289 /nfs/dbraw/zinc/22/12/89/1246221289.db2.gz VJDPFHITLFZCEO-AZUAARDMSA-N 1 2 340.467 2.454 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1nccc3ccccc31)CCO2 ZINC001053397816 1246281915 /nfs/dbraw/zinc/28/19/15/1246281915.db2.gz JHPZPFGZDKXZIK-UHFFFAOYSA-N 1 2 337.423 2.338 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCNc1ncc(C#N)cc1Cl ZINC001101991818 1246290938 /nfs/dbraw/zinc/29/09/38/1246290938.db2.gz LPSGGLJVEDGFCT-LLVKDONJSA-N 1 2 346.822 2.079 20 30 EEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCNc1ncc(C#N)cc1Cl ZINC001101991818 1246290949 /nfs/dbraw/zinc/29/09/49/1246290949.db2.gz LPSGGLJVEDGFCT-LLVKDONJSA-N 1 2 346.822 2.079 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCC34CC4)C2)CC1 ZINC001052043072 1246412833 /nfs/dbraw/zinc/41/28/33/1246412833.db2.gz NZDKEONZAHURNJ-ROUUACIJSA-N 1 2 331.504 2.361 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCC3(C)C)C2)CC1 ZINC001052067288 1246438903 /nfs/dbraw/zinc/43/89/03/1246438903.db2.gz ICIAGEBIFVOLHY-QZTJIDSGSA-N 1 2 331.504 2.055 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CC3CC(C)(C)C3)C2)CC1 ZINC001052068695 1246441031 /nfs/dbraw/zinc/44/10/31/1246441031.db2.gz MKYGDOCTCVDAGZ-GOSISDBHSA-N 1 2 331.504 2.055 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccoc3C3CC3)C2)CC1 ZINC001052070206 1246443433 /nfs/dbraw/zinc/44/34/33/1246443433.db2.gz DSEXBLQXQGXISI-INIZCTEOSA-N 1 2 329.444 2.175 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cccc(F)c3)C2)CC1 ZINC001052115094 1246498449 /nfs/dbraw/zinc/49/84/49/1246498449.db2.gz SNQDQNKHNHBYEP-LJQANCHMSA-N 1 2 345.462 2.163 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CCc3cccs3)C2)CC1 ZINC001052116998 1246500546 /nfs/dbraw/zinc/50/05/46/1246500546.db2.gz CZTUZUXTSRZYJG-KRWDZBQOSA-N 1 2 347.528 2.475 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3c(cn1)CCCC3)O2 ZINC001053626863 1246554803 /nfs/dbraw/zinc/55/48/03/1246554803.db2.gz HPCMXYFCEUVTAG-KRWDZBQOSA-N 1 2 341.455 2.110 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3[nH]ccc3n1)O2 ZINC001053628830 1246557102 /nfs/dbraw/zinc/55/71/02/1246557102.db2.gz ZETMJAVQXHMBQA-AWEZNQCLSA-N 1 2 340.427 2.102 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc([C@H](C)CC)no1)O2 ZINC001053674111 1246625791 /nfs/dbraw/zinc/62/57/91/1246625791.db2.gz IOWZYJSYTXZJSX-KGLIPLIRSA-N 1 2 333.432 2.337 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C)cc3c[nH]nc31)O2 ZINC001053678478 1246631617 /nfs/dbraw/zinc/63/16/17/1246631617.db2.gz DEQGURHOKBZQQY-OAHLLOKOSA-N 1 2 340.427 2.021 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3[nH]ccc3s1)O2 ZINC001053692565 1246661873 /nfs/dbraw/zinc/66/18/73/1246661873.db2.gz QLDCTSWJNJGVPO-LBPRGKRZSA-N 1 2 331.441 2.379 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(Cl)c1C)CO2 ZINC001053812268 1246824852 /nfs/dbraw/zinc/82/48/52/1246824852.db2.gz CJOMNUJBALQOMV-CQSZACIVSA-N 1 2 332.831 2.245 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1nc(Cl)sc1C)CO2 ZINC001053867312 1246938240 /nfs/dbraw/zinc/93/82/40/1246938240.db2.gz HSSFFLSEYKBVCP-LLVKDONJSA-N 1 2 341.864 2.254 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](c1ccccc1)C1CC1)CO2 ZINC001053868191 1246939631 /nfs/dbraw/zinc/93/96/31/1246939631.db2.gz FCEPPWNBEZHDAW-RBUKOAKNSA-N 1 2 338.451 2.163 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nc3ccccc3cc1C)CO2 ZINC001053874498 1246951154 /nfs/dbraw/zinc/95/11/54/1246951154.db2.gz WYKGAJUXLCXYNA-KRWDZBQOSA-N 1 2 349.434 2.140 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc3c1O[C@H](C)C3)CO2 ZINC001053874081 1246951294 /nfs/dbraw/zinc/95/12/94/1246951294.db2.gz RHQMIINUQFPJPD-ZBFHGGJFSA-N 1 2 342.439 2.159 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)ccc1C1CC1)CO2 ZINC001053881035 1246959435 /nfs/dbraw/zinc/95/94/35/1246959435.db2.gz CHKCMAFETVIZLC-QGZVFWFLSA-N 1 2 338.451 2.469 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C)c(Cl)c1)CO2 ZINC001053912898 1247005145 /nfs/dbraw/zinc/00/51/45/1247005145.db2.gz JFJCDDBMEGHSOM-OAHLLOKOSA-N 1 2 332.831 2.245 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1noc3c1CCCCC3)CO2 ZINC001053943565 1247044804 /nfs/dbraw/zinc/04/48/04/1247044804.db2.gz JKNWIRZOEPTFJW-CQSZACIVSA-N 1 2 345.443 2.093 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc3c1ccn3C)CO2 ZINC001053957683 1247067872 /nfs/dbraw/zinc/06/78/72/1247067872.db2.gz DYDJSVJYMOGYPM-OAHLLOKOSA-N 1 2 339.439 2.328 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1nc(C3CC3)oc1C)CO2 ZINC001053970888 1247084647 /nfs/dbraw/zinc/08/46/47/1247084647.db2.gz YZUSLLXQVZXXBK-CQSZACIVSA-N 1 2 331.416 2.010 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)c(CC)s1)CO2 ZINC001054000918 1247132542 /nfs/dbraw/zinc/13/25/42/1247132542.db2.gz MZECIYVKYOHZFF-CQSZACIVSA-N 1 2 332.469 2.215 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccccc1CC(C)C)CO2 ZINC001054020197 1247159431 /nfs/dbraw/zinc/15/94/31/1247159431.db2.gz IMCUUYYRUAPBAW-GOSISDBHSA-N 1 2 340.467 2.482 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(F)cn1 ZINC001054039405 1247197932 /nfs/dbraw/zinc/19/79/32/1247197932.db2.gz AHSFKFXGLDEULW-SFHVURJKSA-N 1 2 337.398 2.401 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(F)cn1 ZINC001054039405 1247197939 /nfs/dbraw/zinc/19/79/39/1247197939.db2.gz AHSFKFXGLDEULW-SFHVURJKSA-N 1 2 337.398 2.401 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cncc2[nH]ccc21 ZINC001054046070 1247222499 /nfs/dbraw/zinc/22/24/99/1247222499.db2.gz AUVDVKBNBZCKFX-QGZVFWFLSA-N 1 2 344.418 2.353 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cncc2[nH]ccc21 ZINC001054046070 1247222508 /nfs/dbraw/zinc/22/25/08/1247222508.db2.gz AUVDVKBNBZCKFX-QGZVFWFLSA-N 1 2 344.418 2.353 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccncc1CC ZINC001054045922 1247223984 /nfs/dbraw/zinc/22/39/84/1247223984.db2.gz YWYQFOGLUQOBLS-IBGZPJMESA-N 1 2 333.435 2.434 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccncc1CC ZINC001054045922 1247223993 /nfs/dbraw/zinc/22/39/93/1247223993.db2.gz YWYQFOGLUQOBLS-IBGZPJMESA-N 1 2 333.435 2.434 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001054051597 1247240139 /nfs/dbraw/zinc/24/01/39/1247240139.db2.gz GLJBBOVHORONIL-OAHLLOKOSA-N 1 2 327.815 2.458 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001054051597 1247240148 /nfs/dbraw/zinc/24/01/48/1247240148.db2.gz GLJBBOVHORONIL-OAHLLOKOSA-N 1 2 327.815 2.458 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C(F)F)n[nH]1 ZINC001054051548 1247241597 /nfs/dbraw/zinc/24/15/97/1247241597.db2.gz GEWWNXFCRAMVIT-CQSZACIVSA-N 1 2 344.365 2.137 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C(F)F)n[nH]1 ZINC001054051548 1247241610 /nfs/dbraw/zinc/24/16/10/1247241610.db2.gz GEWWNXFCRAMVIT-CQSZACIVSA-N 1 2 344.365 2.137 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnn(C(F)F)c1 ZINC001054058190 1247260143 /nfs/dbraw/zinc/26/01/43/1247260143.db2.gz XUKWSSAITHUHMU-MRXNPFEDSA-N 1 2 344.365 2.068 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnn(C(F)F)c1 ZINC001054058190 1247260150 /nfs/dbraw/zinc/26/01/50/1247260150.db2.gz XUKWSSAITHUHMU-MRXNPFEDSA-N 1 2 344.365 2.068 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001052473572 1247368885 /nfs/dbraw/zinc/36/88/85/1247368885.db2.gz ZVGOVWMVGUHRHJ-HUUCEWRRSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@H](C)[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001052605735 1247663276 /nfs/dbraw/zinc/66/32/76/1247663276.db2.gz QISRCPCNWHLLAM-ZFWWWQNUSA-N 1 2 346.475 2.074 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCO[C@@H]3CC)cc2C1 ZINC001054267780 1247942045 /nfs/dbraw/zinc/94/20/45/1247942045.db2.gz CYSAAMPYFTXDHZ-RBUKOAKNSA-N 1 2 326.440 2.457 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCO[C@@H]3CC)cc2C1 ZINC001054267780 1247942053 /nfs/dbraw/zinc/94/20/53/1247942053.db2.gz CYSAAMPYFTXDHZ-RBUKOAKNSA-N 1 2 326.440 2.457 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCO[C@@H]3C(C)C)cc2C1 ZINC001054267889 1247942392 /nfs/dbraw/zinc/94/23/92/1247942392.db2.gz DKZOVVHALTZCTQ-RBUKOAKNSA-N 1 2 326.440 2.313 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCO[C@@H]3C(C)C)cc2C1 ZINC001054267889 1247942398 /nfs/dbraw/zinc/94/23/98/1247942398.db2.gz DKZOVVHALTZCTQ-RBUKOAKNSA-N 1 2 326.440 2.313 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(C)nc(OC)c3)cc2C1 ZINC001054278765 1247987983 /nfs/dbraw/zinc/98/79/83/1247987983.db2.gz NDUCCMWKPHNOAR-UHFFFAOYSA-N 1 2 335.407 2.277 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(C)nc(OC)c3)cc2C1 ZINC001054278765 1247988000 /nfs/dbraw/zinc/98/80/00/1247988000.db2.gz NDUCCMWKPHNOAR-UHFFFAOYSA-N 1 2 335.407 2.277 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H](CNc3cc[nH+]c(C)n3)C[C@@H]2C)nc1 ZINC001068341521 1250841081 /nfs/dbraw/zinc/84/10/81/1250841081.db2.gz PNAIRBDTRVKLIF-XJKSGUPXSA-N 1 2 335.411 2.124 20 30 EEEDLO Cc1nc(N[C@H]2C[C@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)ccc1C#N ZINC001069079172 1252196147 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C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc4ccncc43)C[C@@H]21 ZINC001074375913 1298083525 /nfs/dbraw/zinc/08/35/25/1298083525.db2.gz ZRVPMOMFVQKJOG-VQTJNVASSA-N 1 2 349.434 2.173 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]2OCC[N@@H+](CC(=C)C)[C@@H]2C1 ZINC001074392090 1298092001 /nfs/dbraw/zinc/09/20/01/1298092001.db2.gz DKEMVXARHJBWDN-WOJBJXKFSA-N 1 2 338.451 2.088 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]2OCC[N@H+](CC(=C)C)[C@@H]2C1 ZINC001074392090 1298092009 /nfs/dbraw/zinc/09/20/09/1298092009.db2.gz DKEMVXARHJBWDN-WOJBJXKFSA-N 1 2 338.451 2.088 20 30 EEEDLO CCCCCCCC(=O)c1ccc(O)c(C(=O)N[C@@H]2COC[C@@H]2[NH3+])c1 ZINC001219720005 1298130416 /nfs/dbraw/zinc/13/04/16/1298130416.db2.gz CZVJVGXXYAVCHR-JKSUJKDBSA-N 1 2 348.443 2.391 20 30 EEEDLO CC(C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001220579755 1298460260 /nfs/dbraw/zinc/46/02/60/1298460260.db2.gz IIQFDQCJQBPCRM-MOPGFXCFSA-N 1 2 343.471 2.436 20 30 EEEDLO CC(C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001220579755 1298460266 /nfs/dbraw/zinc/46/02/66/1298460266.db2.gz IIQFDQCJQBPCRM-MOPGFXCFSA-N 1 2 343.471 2.436 20 30 EEEDLO COCCCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221319958 1298772084 /nfs/dbraw/zinc/77/20/84/1298772084.db2.gz PDZYYABYZJLGJH-CRAIPNDOSA-N 1 2 345.418 2.157 20 30 EEEDLO COCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221319958 1298772090 /nfs/dbraw/zinc/77/20/90/1298772090.db2.gz PDZYYABYZJLGJH-CRAIPNDOSA-N 1 2 345.418 2.157 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)C(F)F)C[C@H]1C(F)(F)F ZINC001099196330 1298969194 /nfs/dbraw/zinc/96/91/94/1298969194.db2.gz DTFCKBKZIVZLFN-VXGBXAGGSA-N 1 2 347.287 2.302 20 30 EEEDLO COCC1(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)CC1 ZINC001221690060 1298990390 /nfs/dbraw/zinc/99/03/90/1298990390.db2.gz DCPLGMFILQKYHQ-QZTJIDSGSA-N 1 2 339.439 2.018 20 30 EEEDLO COCC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)CC1 ZINC001221690060 1298990393 /nfs/dbraw/zinc/99/03/93/1298990393.db2.gz DCPLGMFILQKYHQ-QZTJIDSGSA-N 1 2 339.439 2.018 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001099541025 1299199532 /nfs/dbraw/zinc/19/95/32/1299199532.db2.gz CJQIKNWDLMNTFA-GFCCVEGCSA-N 1 2 334.468 2.155 20 30 EEEDLO C=CCCCC(=O)NCc1cccc(-n2cc(C[NH2+]CCF)nn2)c1 ZINC001099604887 1299259613 /nfs/dbraw/zinc/25/96/13/1299259613.db2.gz DXGCQZPFOGXFHY-UHFFFAOYSA-N 1 2 345.422 2.299 20 30 EEEDLO Cc1conc1C[N@@H+]1CC[C@@H]2CN(C(=O)CC#Cc3ccccc3)[C@@H]2C1 ZINC001222040397 1299296769 /nfs/dbraw/zinc/29/67/69/1299296769.db2.gz ZJSLMCPDLFLURP-UYAOXDASSA-N 1 2 349.434 2.458 20 30 EEEDLO Cc1conc1C[N@H+]1CC[C@@H]2CN(C(=O)CC#Cc3ccccc3)[C@@H]2C1 ZINC001222040397 1299296782 /nfs/dbraw/zinc/29/67/82/1299296782.db2.gz ZJSLMCPDLFLURP-UYAOXDASSA-N 1 2 349.434 2.458 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC[C@@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001099664861 1299329755 /nfs/dbraw/zinc/32/97/55/1299329755.db2.gz TVLVMXOZGIDBCL-KUHUBIRLSA-N 1 2 345.491 2.374 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC[C@@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001099664861 1299329764 /nfs/dbraw/zinc/32/97/64/1299329764.db2.gz TVLVMXOZGIDBCL-KUHUBIRLSA-N 1 2 345.491 2.374 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC2(C[NH+](CC=C)C2)n2ccnc21 ZINC001101628736 1299700210 /nfs/dbraw/zinc/70/02/10/1299700210.db2.gz BASALPVELDEPCM-MRXNPFEDSA-N 1 2 326.444 2.409 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)[nH]3)[C@H]2C1 ZINC001222757020 1299835398 /nfs/dbraw/zinc/83/53/98/1299835398.db2.gz HZEKANRYAPBHMQ-WBVHZDCISA-N 1 2 343.475 2.304 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)[nH]3)[C@H]2C1 ZINC001222757020 1299835411 /nfs/dbraw/zinc/83/54/11/1299835411.db2.gz HZEKANRYAPBHMQ-WBVHZDCISA-N 1 2 343.475 2.304 20 30 EEEDLO C#CCCCC(=O)NCC1CC[NH+]([C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC001223012577 1299953360 /nfs/dbraw/zinc/95/33/60/1299953360.db2.gz JIFUTPGDSXDHLO-AWEZNQCLSA-N 1 2 331.464 2.060 20 30 EEEDLO CC(C)n1ncnc1C[NH+]1CCC(CNC(=O)C#CC(C)(C)C)CC1 ZINC001223142380 1299990034 /nfs/dbraw/zinc/99/00/34/1299990034.db2.gz IHRSTAFOXSKNTO-UHFFFAOYSA-N 1 2 345.491 2.237 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC1CC[NH+](Cc2ncnn2CC)CC1 ZINC001223334787 1300086697 /nfs/dbraw/zinc/08/66/97/1300086697.db2.gz SZORPQREOVDIAU-UHFFFAOYSA-N 1 2 333.480 2.229 20 30 EEEDLO C#Cc1ccc(C(=O)NCCCN(c2cc[nH+]c(C)n2)C(C)C)cn1 ZINC001102113304 1300335591 /nfs/dbraw/zinc/33/55/91/1300335591.db2.gz DQOAOODLRYLHJZ-UHFFFAOYSA-N 1 2 337.427 2.196 20 30 EEEDLO CC(C)N(CCCNC(=O)CCc1c[nH]c[nH+]1)c1ccc(C#N)nc1 ZINC001102149234 1300427154 /nfs/dbraw/zinc/42/71/54/1300427154.db2.gz HZUIPXHTJMIOMB-UHFFFAOYSA-N 1 2 340.431 2.030 20 30 EEEDLO CC(C)N(CCCNC(=O)CCc1c[nH+]c[nH]1)c1ccc(C#N)nc1 ZINC001102149234 1300427165 /nfs/dbraw/zinc/42/71/65/1300427165.db2.gz HZUIPXHTJMIOMB-UHFFFAOYSA-N 1 2 340.431 2.030 20 30 EEEDLO N#Cc1ccccc1N1CCC[C@]2(C1)C[N@H+](Cc1cn[nH]c1)CCO2 ZINC001276953097 1300470149 /nfs/dbraw/zinc/47/01/49/1300470149.db2.gz HPCYUVCZQPGBKE-LJQANCHMSA-N 1 2 337.427 2.153 20 30 EEEDLO N#Cc1ccccc1N1CCC[C@]2(C1)C[N@@H+](Cc1cn[nH]c1)CCO2 ZINC001276953097 1300470153 /nfs/dbraw/zinc/47/01/53/1300470153.db2.gz HPCYUVCZQPGBKE-LJQANCHMSA-N 1 2 337.427 2.153 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC1CC[NH+](Cc2nc(N(C)C)no2)CC1 ZINC001224385352 1300570191 /nfs/dbraw/zinc/57/01/91/1300570191.db2.gz CCNRZJJKVLEHMC-SFHVURJKSA-N 1 2 349.479 2.066 20 30 EEEDLO CCCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102228283 1300612007 /nfs/dbraw/zinc/61/20/07/1300612007.db2.gz AHSPZGPPRUWAEV-OAHLLOKOSA-N 1 2 338.415 2.116 20 30 EEEDLO C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)[nH+]c2c1CCCC2 ZINC001102551504 1301217221 /nfs/dbraw/zinc/21/72/21/1301217221.db2.gz OXQHKNZEQVOQHS-HOTGVXAUSA-N 1 2 338.455 2.257 20 30 EEEDLO CCCCc1nc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C#CC2CC2)no1 ZINC001226111971 1301264088 /nfs/dbraw/zinc/26/40/88/1301264088.db2.gz SWQBWSBGOHERBV-HZPDHXFCSA-N 1 2 344.459 2.343 20 30 EEEDLO COc1ccc(Br)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001226148554 1301276904 /nfs/dbraw/zinc/27/69/04/1301276904.db2.gz KVIPZZCGWMGKLY-RBRDRRMGSA-N 1 2 340.217 2.449 20 30 EEEDLO COc1ccc(Br)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001226148554 1301276909 /nfs/dbraw/zinc/27/69/09/1301276909.db2.gz KVIPZZCGWMGKLY-RBRDRRMGSA-N 1 2 340.217 2.449 20 30 EEEDLO C=CCOCC(=O)NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001226588836 1301471521 /nfs/dbraw/zinc/47/15/21/1301471521.db2.gz CJTKJGVFNAYBGH-UHFFFAOYSA-N 1 2 329.853 2.080 20 30 EEEDLO C=CCO[C@H](C)C(=O)N(C)[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102715744 1301482468 /nfs/dbraw/zinc/48/24/68/1301482468.db2.gz HQQFVYNRHWGPNZ-GDBMZVCRSA-N 1 2 344.459 2.291 20 30 EEEDLO CC(C)Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)o1 ZINC001226641374 1301491628 /nfs/dbraw/zinc/49/16/28/1301491628.db2.gz ZJYZZQYIRBETJW-QWHCGFSZSA-N 1 2 333.436 2.069 20 30 EEEDLO CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)Nc1ncc(C#N)cc1Cl ZINC001103146942 1302318033 /nfs/dbraw/zinc/31/80/33/1302318033.db2.gz DXZDTWPYFLJJSW-GFCCVEGCSA-N 1 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EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CC34CCOCC4)CC2)C1 ZINC001093603727 795445285 /nfs/dbraw/zinc/44/52/85/795445285.db2.gz MGEYLUZMCBYMFB-SFHVURJKSA-N 1 2 348.487 2.071 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2OCCc3ccccc32)C1 ZINC001080241093 795748477 /nfs/dbraw/zinc/74/84/77/795748477.db2.gz OCAIOEBNXNHFME-CSMYWGQOSA-N 1 2 334.847 2.489 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2OCCc3ccccc32)C1 ZINC001080241093 795748481 /nfs/dbraw/zinc/74/84/81/795748481.db2.gz OCAIOEBNXNHFME-CSMYWGQOSA-N 1 2 334.847 2.489 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106520259 795763304 /nfs/dbraw/zinc/76/33/04/795763304.db2.gz ZPOYCVXZUYBSLM-GFCCVEGCSA-N 1 2 334.468 2.155 20 30 EEEDLO C=CCCC1(C(=O)N[C@H](C)CCNc2[nH+]cnc3c2cnn3C)CC1 ZINC001106553041 795811909 /nfs/dbraw/zinc/81/19/09/795811909.db2.gz JZPDZGPJIQHUOI-CYBMUJFWSA-N 1 2 342.447 2.416 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(CC)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001080467654 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20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ncc(C)o3)C[C@H]2C)nc1 ZINC001080808091 796399320 /nfs/dbraw/zinc/39/93/20/796399320.db2.gz IPPUGMGFVMLFPE-SUYBPPKGSA-N 1 2 338.411 2.171 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ncc(C)o3)C[C@H]2C)nc1 ZINC001080808091 796399326 /nfs/dbraw/zinc/39/93/26/796399326.db2.gz IPPUGMGFVMLFPE-SUYBPPKGSA-N 1 2 338.411 2.171 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2nn(C)cc2Cl)[C@H]1C ZINC000993367182 796467028 /nfs/dbraw/zinc/46/70/28/796467028.db2.gz MSFNAFZORGPBRL-PWSUYJOCSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2nn(C)cc2Cl)[C@H]1C ZINC000993367182 796467030 /nfs/dbraw/zinc/46/70/30/796467030.db2.gz MSFNAFZORGPBRL-PWSUYJOCSA-N 1 2 331.247 2.409 20 30 EEEDLO CC(C)C[C@@H](C(=O)NCCCNc1ncccc1C#N)n1cc[nH+]c1 ZINC001094627342 796474416 /nfs/dbraw/zinc/47/44/16/796474416.db2.gz XGPQSPQLAJYTAY-INIZCTEOSA-N 1 2 340.431 2.355 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc3n[nH]nc32)[C@H]1C ZINC000993373131 796488034 /nfs/dbraw/zinc/48/80/34/796488034.db2.gz FJZBRQAHVQPPAY-DGCLKSJQSA-N 1 2 333.823 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc3n[nH]nc32)[C@H]1C ZINC000993373131 796488037 /nfs/dbraw/zinc/48/80/37/796488037.db2.gz FJZBRQAHVQPPAY-DGCLKSJQSA-N 1 2 333.823 2.293 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnc3[nH]cnc3c2)[C@H]1C ZINC000993411875 796575336 /nfs/dbraw/zinc/57/53/36/796575336.db2.gz KYRCZZNFTBFMRV-DGCLKSJQSA-N 1 2 333.823 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnc3[nH]cnc3c2)[C@H]1C ZINC000993411875 796575341 /nfs/dbraw/zinc/57/53/41/796575341.db2.gz KYRCZZNFTBFMRV-DGCLKSJQSA-N 1 2 333.823 2.293 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3cccc4ccccc43)CC2=O)C1 ZINC001094811796 796592335 /nfs/dbraw/zinc/59/23/35/796592335.db2.gz RUNNLNFDRULQCM-MRXNPFEDSA-N 1 2 349.434 2.041 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CCCCC3(C)C)CC2=O)C1 ZINC001094820034 796616960 /nfs/dbraw/zinc/61/69/60/796616960.db2.gz CQSCOHDDKYQCJB-RDJZCZTQSA-N 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C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(C)(C)CC)cc2)[C@H](OC)C1 ZINC001081834054 796908571 /nfs/dbraw/zinc/90/85/71/796908571.db2.gz QSUGRKBNJDVPCB-QZTJIDSGSA-N 1 2 328.456 2.436 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(C)(C)CC)cc2)[C@H](OC)C1 ZINC001081834054 796908572 /nfs/dbraw/zinc/90/85/72/796908572.db2.gz QSUGRKBNJDVPCB-QZTJIDSGSA-N 1 2 328.456 2.436 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccnc3c2ncn3C)[C@H]1C ZINC000993821154 797052147 /nfs/dbraw/zinc/05/21/47/797052147.db2.gz TZTFFTNMVZVMOK-TZMCWYRMSA-N 1 2 347.850 2.304 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccnc3c2ncn3C)[C@H]1C ZINC000993821154 797052154 /nfs/dbraw/zinc/05/21/54/797052154.db2.gz TZTFFTNMVZVMOK-TZMCWYRMSA-N 1 2 347.850 2.304 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ncn(C(C)(C)C)n2)[C@@H]1C ZINC000993837458 797076009 /nfs/dbraw/zinc/07/60/09/797076009.db2.gz ZKMWYOCXTDJCCT-STQMWFEESA-N 1 2 339.871 2.368 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ncn(C(C)(C)C)n2)[C@@H]1C ZINC000993837458 797076015 /nfs/dbraw/zinc/07/60/15/797076015.db2.gz ZKMWYOCXTDJCCT-STQMWFEESA-N 1 2 339.871 2.368 20 30 EEEDLO N#Cc1ccc(NCCCCCCNC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC001095006322 797222545 /nfs/dbraw/zinc/22/25/45/797222545.db2.gz DWSVIEAONBIUAK-UHFFFAOYSA-N 1 2 340.431 2.398 20 30 EEEDLO N#Cc1ccc(NCCCCCCNC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC001095006322 797222549 /nfs/dbraw/zinc/22/25/49/797222549.db2.gz DWSVIEAONBIUAK-UHFFFAOYSA-N 1 2 340.431 2.398 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001082262742 797381880 /nfs/dbraw/zinc/38/18/80/797381880.db2.gz XZBKQOLRASPOND-INIZCTEOSA-N 1 2 332.448 2.127 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCOC2)C1 ZINC001046924218 797404341 /nfs/dbraw/zinc/40/43/41/797404341.db2.gz GSWBXFGEMXYBLE-QWHCGFSZSA-N 1 2 336.810 2.239 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCOC2)C1 ZINC001046924218 797404346 /nfs/dbraw/zinc/40/43/46/797404346.db2.gz GSWBXFGEMXYBLE-QWHCGFSZSA-N 1 2 336.810 2.239 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(Cl)cccc2Cl)[C@H](OC)C1 ZINC001082341844 797465087 /nfs/dbraw/zinc/46/50/87/797465087.db2.gz IADFTKDUJPJJNE-ZIAGYGMSSA-N 1 2 341.238 2.446 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(Cl)cccc2Cl)[C@H](OC)C1 ZINC001082341844 797465091 /nfs/dbraw/zinc/46/50/91/797465091.db2.gz IADFTKDUJPJJNE-ZIAGYGMSSA-N 1 2 341.238 2.446 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3cc(C)ccc3o2)[C@H](OC)C1 ZINC001082384247 797487263 /nfs/dbraw/zinc/48/72/63/797487263.db2.gz LJHUMTWXXKCZHV-CRAIPNDOSA-N 1 2 326.396 2.194 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3cc(C)ccc3o2)[C@H](OC)C1 ZINC001082384247 797487267 /nfs/dbraw/zinc/48/72/67/797487267.db2.gz LJHUMTWXXKCZHV-CRAIPNDOSA-N 1 2 326.396 2.194 20 30 EEEDLO C[NH+]1CCN(N=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000916248331 797564523 /nfs/dbraw/zinc/56/45/23/797564523.db2.gz AKUBVDGSEZARPV-UHFFFAOYSA-N 1 2 331.420 2.166 20 30 EEEDLO C[C@H]([NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)c1nc(C(C)(C)C)no1 ZINC001082502858 797570157 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C=C1CCC(C(=O)N2CCO[C@@H]3C[N@H+](Cc4cnc(C)o4)C[C@@H]32)CC1 ZINC001083183974 797930300 /nfs/dbraw/zinc/93/03/00/797930300.db2.gz IBGAVUZUJWGOLZ-ZWKOTPCHSA-N 1 2 345.443 2.141 20 30 EEEDLO O=C(c1cncs1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084213725 798041999 /nfs/dbraw/zinc/04/19/99/798041999.db2.gz RYRPNVKPCYHFRJ-IAGOWNOFSA-N 1 2 337.448 2.341 20 30 EEEDLO O=C(c1cncs1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084213725 798042006 /nfs/dbraw/zinc/04/20/06/798042006.db2.gz RYRPNVKPCYHFRJ-IAGOWNOFSA-N 1 2 337.448 2.341 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ncccc4O)[C@@H]3C2)cc1 ZINC001084299786 798159307 /nfs/dbraw/zinc/15/93/07/798159307.db2.gz FLSFIEKQWLLHDC-IAGOWNOFSA-N 1 2 348.406 2.005 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ncccc4O)[C@@H]3C2)cc1 ZINC001084299786 798159309 /nfs/dbraw/zinc/15/93/09/798159309.db2.gz FLSFIEKQWLLHDC-IAGOWNOFSA-N 1 2 348.406 2.005 20 30 EEEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3sc(C)nc3CC(C)C)[C@@H]2C1 ZINC001084489803 798235008 /nfs/dbraw/zinc/23/50/08/798235008.db2.gz AUONRRNFPRPKOZ-GDBMZVCRSA-N 1 2 331.485 2.430 20 30 EEEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3sc(C)nc3CC(C)C)[C@@H]2C1 ZINC001084489803 798235014 /nfs/dbraw/zinc/23/50/14/798235014.db2.gz AUONRRNFPRPKOZ-GDBMZVCRSA-N 1 2 331.485 2.430 20 30 EEEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)c3ccn[nH]3)c2C1 ZINC001128196443 798264803 /nfs/dbraw/zinc/26/48/03/798264803.db2.gz BAVUMTBRUYCJMK-UHFFFAOYSA-N 1 2 342.447 2.098 20 30 EEEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)c3ccn[nH]3)c2C1 ZINC001128196443 798264810 /nfs/dbraw/zinc/26/48/10/798264810.db2.gz BAVUMTBRUYCJMK-UHFFFAOYSA-N 1 2 342.447 2.098 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccnc(OC)n3)C[C@H]21 ZINC001084574171 798280734 /nfs/dbraw/zinc/28/07/34/798280734.db2.gz UGIKUQQWZPVFNK-GDBMZVCRSA-N 1 2 344.459 2.120 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccnc(OC)n3)C[C@H]21 ZINC001084574171 798280739 /nfs/dbraw/zinc/28/07/39/798280739.db2.gz UGIKUQQWZPVFNK-GDBMZVCRSA-N 1 2 344.459 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ZINC001002666635 798420328 /nfs/dbraw/zinc/42/03/28/798420328.db2.gz SEUYSBQLYXWOQB-UHFFFAOYSA-N 1 2 328.210 2.086 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc4c[nH]nc4c3)[C@@H]2C1 ZINC001084804206 798469036 /nfs/dbraw/zinc/46/90/36/798469036.db2.gz HKTYBQWUYSCQOI-NVXWUHKLSA-N 1 2 344.846 2.391 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc4c[nH]nc4c3)[C@@H]2C1 ZINC001084804206 798469040 /nfs/dbraw/zinc/46/90/40/798469040.db2.gz HKTYBQWUYSCQOI-NVXWUHKLSA-N 1 2 344.846 2.391 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccccc3F)[C@@H]2C1 ZINC001084827222 798485200 /nfs/dbraw/zinc/48/52/00/798485200.db2.gz RJNFCLRVXQVCQN-UKRRQHHQSA-N 1 2 338.810 2.490 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccccc3F)[C@@H]2C1 ZINC001084827222 798485203 /nfs/dbraw/zinc/48/52/03/798485203.db2.gz RJNFCLRVXQVCQN-UKRRQHHQSA-N 1 2 338.810 2.490 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(-c4ccoc4)[nH]n3)[C@@H]2C1 ZINC001084831976 798489210 /nfs/dbraw/zinc/48/92/10/798489210.db2.gz HYDLWYBEJUNCSM-CXAGYDPISA-N 1 2 326.400 2.392 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(-c4ccoc4)[nH]n3)[C@@H]2C1 ZINC001084831976 798489213 /nfs/dbraw/zinc/48/92/13/798489213.db2.gz HYDLWYBEJUNCSM-CXAGYDPISA-N 1 2 326.400 2.392 20 30 EEEDLO Cc1nsc(N[C@H]2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1C#N ZINC001061136047 798539554 /nfs/dbraw/zinc/53/95/54/798539554.db2.gz KFACOYSQLNTMAF-NEPJUHHUSA-N 1 2 344.444 2.128 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C=C3CCCCC3)C[C@H]21 ZINC001176936868 798637853 /nfs/dbraw/zinc/63/78/53/798637853.db2.gz MUQGKDYIALRRGY-RTBURBONSA-N 1 2 348.487 2.381 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)C=C3CCCCC3)C[C@H]21 ZINC001176936868 798637854 /nfs/dbraw/zinc/63/78/54/798637854.db2.gz MUQGKDYIALRRGY-RTBURBONSA-N 1 2 348.487 2.381 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCCCCC(C)C)C2)nn1 ZINC001098746187 798650769 /nfs/dbraw/zinc/65/07/69/798650769.db2.gz RKTFWAJTRAFJAL-SFHVURJKSA-N 1 2 345.491 2.381 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCOCC(C)C)[C@H]2C1 ZINC001177089770 798743359 /nfs/dbraw/zinc/74/33/59/798743359.db2.gz VFVQQYTXMKQDLS-ROUUACIJSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]2OCC[N@H+](CCOCC(C)C)[C@H]2C1 ZINC001177089770 798743364 /nfs/dbraw/zinc/74/33/64/798743364.db2.gz VFVQQYTXMKQDLS-ROUUACIJSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3(CC=C)CCC3)C[C@@H]21 ZINC001177100770 798749691 /nfs/dbraw/zinc/74/96/91/798749691.db2.gz HRSPAPJJEKDXGS-ROUUACIJSA-N 1 2 348.487 2.237 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)C3(CC=C)CCC3)C[C@@H]21 ZINC001177100770 798749694 /nfs/dbraw/zinc/74/96/94/798749694.db2.gz HRSPAPJJEKDXGS-ROUUACIJSA-N 1 2 348.487 2.237 20 30 EEEDLO C[C@@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCN(c2ccncc2C#N)C1 ZINC001065357822 798949327 /nfs/dbraw/zinc/94/93/27/798949327.db2.gz RIOXQIZRQSOEKV-LJQANCHMSA-N 1 2 346.394 2.228 20 30 EEEDLO CC(C)(C(=O)N(CCCNCC#N)CC1CCCC1)c1c[nH+]c[nH]1 ZINC001177466751 798951570 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CC#CCCCC(=O)N1CC[C@@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC001185035709 802316868 /nfs/dbraw/zinc/31/68/68/802316868.db2.gz PBILQUGGOGQXAL-OAHLLOKOSA-N 1 2 342.399 2.214 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001066431571 802398826 /nfs/dbraw/zinc/39/88/26/802398826.db2.gz JLHYONTZENRSLN-LSDHHAIUSA-N 1 2 332.448 2.052 20 30 EEEDLO CCC1(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)CCOCC1 ZINC001004585402 802424906 /nfs/dbraw/zinc/42/49/06/802424906.db2.gz FJKGYSGEIMFBTK-QGZVFWFLSA-N 1 2 333.476 2.420 20 30 EEEDLO CCC1(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)CCOCC1 ZINC001004585402 802424911 /nfs/dbraw/zinc/42/49/11/802424911.db2.gz FJKGYSGEIMFBTK-QGZVFWFLSA-N 1 2 333.476 2.420 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn(CC(F)F)nc2C)C1 ZINC001033173076 802766177 /nfs/dbraw/zinc/76/61/77/802766177.db2.gz PRTBAFPPHPYGMJ-GFCCVEGCSA-N 1 2 346.809 2.355 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(CC(F)F)nc2C)C1 ZINC001033173076 802766180 /nfs/dbraw/zinc/76/61/80/802766180.db2.gz PRTBAFPPHPYGMJ-GFCCVEGCSA-N 1 2 346.809 2.355 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001108267307 802776001 /nfs/dbraw/zinc/77/60/01/802776001.db2.gz ZTGJWQJESGODBS-AJPWXKBRSA-N 1 2 332.488 2.433 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001108267307 802776005 /nfs/dbraw/zinc/77/60/05/802776005.db2.gz ZTGJWQJESGODBS-AJPWXKBRSA-N 1 2 332.488 2.433 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001066503708 802805535 /nfs/dbraw/zinc/80/55/35/802805535.db2.gz LPLGOMIMAITRII-HNAYVOBHSA-N 1 2 346.475 2.360 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)c2[nH]nc3c2C[C@H](C)CC3)C1 ZINC001086522290 803234858 /nfs/dbraw/zinc/23/48/58/803234858.db2.gz QBOOGWSGIUKYGT-RAIGVLPGSA-N 1 2 336.867 2.385 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccnc(O[C@H](C)CC)c2)C1 ZINC001108330570 803301559 /nfs/dbraw/zinc/30/15/59/803301559.db2.gz BWOLTUYBBGJCQF-BEFAXECRSA-N 1 2 347.459 2.266 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccnc(O[C@H](C)CC)c2)C1 ZINC001108330570 803301564 /nfs/dbraw/zinc/30/15/64/803301564.db2.gz BWOLTUYBBGJCQF-BEFAXECRSA-N 1 2 347.459 2.266 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cccc(OCCC)c2)C1 ZINC001108332767 803306287 /nfs/dbraw/zinc/30/62/87/803306287.db2.gz HBHOPZRHTWUPGQ-HXUWFJFHSA-N 1 2 346.471 2.411 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cccc(OCCC)c2)C1 ZINC001108332767 803306294 /nfs/dbraw/zinc/30/62/94/803306294.db2.gz HBHOPZRHTWUPGQ-HXUWFJFHSA-N 1 2 346.471 2.411 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CC(C)(C)C(F)(F)F)C1 ZINC001108370743 803380636 /nfs/dbraw/zinc/38/06/36/803380636.db2.gz BKDRDTDRUPQXKG-OAHLLOKOSA-N 1 2 334.382 2.195 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CC(C)(C)C(F)(F)F)C1 ZINC001108370743 803380641 /nfs/dbraw/zinc/38/06/41/803380641.db2.gz BKDRDTDRUPQXKG-OAHLLOKOSA-N 1 2 334.382 2.195 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)COC[C@@H](C)c2ccccc2)C1 ZINC001108371283 803382777 /nfs/dbraw/zinc/38/27/77/803382777.db2.gz QHMPGSWGRKSBHR-YLJYHZDGSA-N 1 2 346.471 2.200 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)COC[C@@H](C)c2ccccc2)C1 ZINC001108371283 803382784 /nfs/dbraw/zinc/38/27/84/803382784.db2.gz QHMPGSWGRKSBHR-YLJYHZDGSA-N 1 2 346.471 2.200 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)c2ccccc2)C1 ZINC001108380005 803405227 /nfs/dbraw/zinc/40/52/27/803405227.db2.gz GHXYIQVHEGPSGN-YLJYHZDGSA-N 1 2 328.456 2.411 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H](C)c2ccccc2)C1 ZINC001108380005 803405233 /nfs/dbraw/zinc/40/52/33/803405233.db2.gz GHXYIQVHEGPSGN-YLJYHZDGSA-N 1 2 328.456 2.411 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)COc2ccc(C)c(C)c2)C1 ZINC001108393082 803440654 /nfs/dbraw/zinc/44/06/54/803440654.db2.gz IGJLPAVCSOFPHT-LJQANCHMSA-N 1 2 332.444 2.075 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)COc2ccc(C)c(C)c2)C1 ZINC001108393082 803440656 /nfs/dbraw/zinc/44/06/56/803440656.db2.gz IGJLPAVCSOFPHT-LJQANCHMSA-N 1 2 332.444 2.075 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001033235064 803445164 /nfs/dbraw/zinc/44/51/64/803445164.db2.gz KFLXGZVSISQVFR-HNNXBMFYSA-N 1 2 347.846 2.104 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001033235064 803445170 /nfs/dbraw/zinc/44/51/70/803445170.db2.gz KFLXGZVSISQVFR-HNNXBMFYSA-N 1 2 347.846 2.104 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cncc3ccccc32)C1 ZINC001108418004 803506409 /nfs/dbraw/zinc/50/64/09/803506409.db2.gz NAGZCPZMZDHBDQ-IBGZPJMESA-N 1 2 325.412 2.242 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cncc3ccccc32)C1 ZINC001108418004 803506411 /nfs/dbraw/zinc/50/64/11/803506411.db2.gz NAGZCPZMZDHBDQ-IBGZPJMESA-N 1 2 325.412 2.242 20 30 EEEDLO C=C[C@@H](C(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1)c1ccccc1 ZINC001108412385 803515029 /nfs/dbraw/zinc/51/50/29/803515029.db2.gz KBUHYDNAYSQMRW-UYAOXDASSA-N 1 2 326.440 2.187 20 30 EEEDLO C=C[C@@H](C(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1)c1ccccc1 ZINC001108412385 803515033 /nfs/dbraw/zinc/51/50/33/803515033.db2.gz KBUHYDNAYSQMRW-UYAOXDASSA-N 1 2 326.440 2.187 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001108434808 803567044 /nfs/dbraw/zinc/56/70/44/803567044.db2.gz XKBGTBIMDSVVKM-KXBFYZLASA-N 1 2 334.435 2.397 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001108434808 803567047 /nfs/dbraw/zinc/56/70/47/803567047.db2.gz XKBGTBIMDSVVKM-KXBFYZLASA-N 1 2 334.435 2.397 20 30 EEEDLO Cc1nsc(NC[C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)c1C#N ZINC001108777758 804477043 /nfs/dbraw/zinc/47/70/43/804477043.db2.gz GYFGPNQVCMPTRM-VIFPVBQESA-N 1 2 340.412 2.430 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001109039904 804852554 /nfs/dbraw/zinc/85/25/54/804852554.db2.gz LHFDVOWYYPCRIK-DNMXQMFDSA-N 1 2 347.459 2.494 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001109039904 804852563 /nfs/dbraw/zinc/85/25/63/804852563.db2.gz LHFDVOWYYPCRIK-DNMXQMFDSA-N 1 2 347.459 2.494 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)nc1 ZINC001109208823 805121199 /nfs/dbraw/zinc/12/11/99/805121199.db2.gz BUJAJHCGUDWQIR-LDDOYCOJSA-N 1 2 349.862 2.284 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)nc1 ZINC001109208823 805121204 /nfs/dbraw/zinc/12/12/04/805121204.db2.gz BUJAJHCGUDWQIR-LDDOYCOJSA-N 1 2 349.862 2.284 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)n1 ZINC001109213323 805128649 /nfs/dbraw/zinc/12/86/49/805128649.db2.gz OTMASNUCVKOFGY-LDDOYCOJSA-N 1 2 349.862 2.284 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)n1 ZINC001109213323 805128650 /nfs/dbraw/zinc/12/86/50/805128650.db2.gz OTMASNUCVKOFGY-LDDOYCOJSA-N 1 2 349.862 2.284 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001109247798 805187164 /nfs/dbraw/zinc/18/71/64/805187164.db2.gz MZWUDFSEACCTRS-BMFZPTHFSA-N 1 2 344.459 2.194 20 30 EEEDLO C[C@H](CC(=O)N[C@@H](C)CN(C)c1cccc(F)c1C#N)n1cc[nH+]c1 ZINC001109254397 805191539 /nfs/dbraw/zinc/19/15/39/805191539.db2.gz WOGGRURYANKTTP-UONOGXRCSA-N 1 2 343.406 2.486 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)sc1C ZINC001109270920 805218777 /nfs/dbraw/zinc/21/87/77/805218777.db2.gz XITDKFBPCZVOPG-VYDXJSESSA-N 1 2 347.484 2.021 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)sc1C ZINC001109270920 805218780 /nfs/dbraw/zinc/21/87/80/805218780.db2.gz XITDKFBPCZVOPG-VYDXJSESSA-N 1 2 347.484 2.021 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C1CCCC1)C2 ZINC001109410788 805421730 /nfs/dbraw/zinc/42/17/30/805421730.db2.gz VVYHUSHNYAYFQR-IKGGRYGDSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C1CCCC1)C2 ZINC001109410788 805421738 /nfs/dbraw/zinc/42/17/38/805421738.db2.gz VVYHUSHNYAYFQR-IKGGRYGDSA-N 1 2 347.503 2.227 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N(C)CCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001109430716 805450787 /nfs/dbraw/zinc/45/07/87/805450787.db2.gz GJMHTBAGUYISBX-SFHVURJKSA-N 1 2 332.448 2.250 20 30 EEEDLO C=CCC1(C(=O)N(C)CCCNc2cc[nH+]c(C)n2)CCOCC1 ZINC001109493331 805557657 /nfs/dbraw/zinc/55/76/57/805557657.db2.gz SRYBXCHLHDDCFW-UHFFFAOYSA-N 1 2 332.448 2.418 20 30 EEEDLO C=CCCC(=O)N1CC[NH+](C[C@H](O)COc2cc(C)cc(C)c2)CC1 ZINC001112688327 807032662 /nfs/dbraw/zinc/03/26/62/807032662.db2.gz NYCGLLQBYWFONZ-SFHVURJKSA-N 1 2 346.471 2.154 20 30 EEEDLO C=CCOCC(=O)N1CCC[C@@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112790652 807271765 /nfs/dbraw/zinc/27/17/65/807271765.db2.gz MLHDOWYAVGKGRD-MRXNPFEDSA-N 1 2 332.448 2.032 20 30 EEEDLO C#CCCCC(=O)N1CC[NH+](CCOc2ccc(OC)cc2)CC1 ZINC001112799339 807292022 /nfs/dbraw/zinc/29/20/22/807292022.db2.gz CAKTZCDZEBUPMV-UHFFFAOYSA-N 1 2 330.428 2.022 20 30 EEEDLO Cc1nc(NCC2CC(NC(=O)[C@@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001112828973 807369942 /nfs/dbraw/zinc/36/99/42/807369942.db2.gz OEYPNLUZXZNHIK-XGNXJENSSA-N 1 2 327.432 2.130 20 30 EEEDLO C=C(C)CCC(=O)N1CC[NH+](C[C@H](O)c2cccc(OC)c2)CC1 ZINC001112904170 807570420 /nfs/dbraw/zinc/57/04/20/807570420.db2.gz IPDXFRMVGTVHPN-SFHVURJKSA-N 1 2 332.444 2.229 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001086576834 808064839 /nfs/dbraw/zinc/06/48/39/808064839.db2.gz GEQFEWJCDJOBTE-JKSUJKDBSA-N 1 2 330.819 2.360 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001086576834 808064847 /nfs/dbraw/zinc/06/48/47/808064847.db2.gz GEQFEWJCDJOBTE-JKSUJKDBSA-N 1 2 330.819 2.360 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1 ZINC001113179524 808386185 /nfs/dbraw/zinc/38/61/85/808386185.db2.gz WOTJBXJRPDADKQ-UHFFFAOYSA-N 1 2 343.427 2.137 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC001113275738 808628515 /nfs/dbraw/zinc/62/85/15/808628515.db2.gz XYGMHYQFYOVGKJ-UHFFFAOYSA-N 1 2 328.334 2.064 20 30 EEEDLO C=CCC1(C(=O)N2CC[NH+](CCn3nc(C)cc3C)CC2)CCC1 ZINC001113315151 808711268 /nfs/dbraw/zinc/71/12/68/808711268.db2.gz XKAMCACPKLNGKR-UHFFFAOYSA-N 1 2 330.476 2.391 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@@H](C)Nc2ncccc2C#N)c[nH+]1 ZINC001113361484 808807390 /nfs/dbraw/zinc/80/73/90/808807390.db2.gz IKNJFLMBRPRCJA-ZIAGYGMSSA-N 1 2 340.431 2.199 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnn(C3CCCC3)c2C)CC1 ZINC001113518135 809121624 /nfs/dbraw/zinc/12/16/24/809121624.db2.gz AHCQWFXXRLKZHL-UHFFFAOYSA-N 1 2 346.475 2.267 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@@H](C)N(C)c1nc(C)[nH+]c(C)c1C ZINC001113530827 809153083 /nfs/dbraw/zinc/15/30/83/809153083.db2.gz UITIKXXGHCNHCL-IUODEOHRSA-N 1 2 334.464 2.324 20 30 EEEDLO C=CCCC(=O)NC[C@H](C)N(C)c1[nH+]c(C)nc(-n2cccn2)c1C ZINC001113562270 809232201 /nfs/dbraw/zinc/23/22/01/809232201.db2.gz HVOVRDIPIVMNML-ZDUSSCGKSA-N 1 2 342.447 2.186 20 30 EEEDLO C=CCCOCC(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113639273 809421660 /nfs/dbraw/zinc/42/16/60/809421660.db2.gz ADNUSLSJOIZJHJ-OAHLLOKOSA-N 1 2 334.464 2.442 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001113713611 809618873 /nfs/dbraw/zinc/61/88/73/809618873.db2.gz UIIGAPCPPSARJX-HOTGVXAUSA-N 1 2 332.444 2.492 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113906908 810052698 /nfs/dbraw/zinc/05/26/98/810052698.db2.gz YGNMQYUBOSDKRA-BMFZPTHFSA-N 1 2 344.459 2.194 20 30 EEEDLO CSC[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114040775 810251391 /nfs/dbraw/zinc/25/13/91/810251391.db2.gz BHDJCNOWNNXMDH-IAOMBJDPSA-N 1 2 347.459 2.243 20 30 EEEDLO CSC[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114040775 810251397 /nfs/dbraw/zinc/25/13/97/810251397.db2.gz BHDJCNOWNNXMDH-IAOMBJDPSA-N 1 2 347.459 2.243 20 30 EEEDLO C=CCCC(=O)N(C)CC[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)C(C)C ZINC001114078322 810289932 /nfs/dbraw/zinc/28/99/32/810289932.db2.gz LNZLCMVAPHFCNU-OAHLLOKOSA-N 1 2 348.495 2.497 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nnc(C)s3)C[C@H]21 ZINC001114160078 810477159 /nfs/dbraw/zinc/47/71/59/810477159.db2.gz QYQBEIRSWDFRIZ-YYWXWVFPSA-N 1 2 332.473 2.148 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nnc(C)s3)C[C@H]21 ZINC001114160078 810477165 /nfs/dbraw/zinc/47/71/65/810477165.db2.gz QYQBEIRSWDFRIZ-YYWXWVFPSA-N 1 2 332.473 2.148 20 30 EEEDLO CCCc1nc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)C)cs1 ZINC001114239950 810661570 /nfs/dbraw/zinc/66/15/70/810661570.db2.gz OSZHSOKNHHDTHE-HWWDLCQESA-N 1 2 331.485 2.301 20 30 EEEDLO CCCc1nc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)C)cs1 ZINC001114239950 810661573 /nfs/dbraw/zinc/66/15/73/810661573.db2.gz OSZHSOKNHHDTHE-HWWDLCQESA-N 1 2 331.485 2.301 20 30 EEEDLO N#CCSCCCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000805444660 811293879 /nfs/dbraw/zinc/29/38/79/811293879.db2.gz PKTXIISFSQPPSZ-KRWDZBQOSA-N 1 2 348.468 2.374 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@@H+](Cc3ncc(CC)o3)C2)C1 ZINC001131646448 813073391 /nfs/dbraw/zinc/07/33/91/813073391.db2.gz VROSPUNOEISTDQ-DNVCBOLYSA-N 1 2 347.459 2.395 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@H+](Cc3ncc(CC)o3)C2)C1 ZINC001131646448 813073399 /nfs/dbraw/zinc/07/33/99/813073399.db2.gz VROSPUNOEISTDQ-DNVCBOLYSA-N 1 2 347.459 2.395 20 30 EEEDLO C[C@H](OCC1CC1)C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001442371512 1096695014 /nfs/dbraw/zinc/69/50/14/1096695014.db2.gz CCWCPKPQJDEOCG-ZDUSSCGKSA-N 1 2 333.407 2.060 20 30 EEEDLO C[C@H](OCC1CC1)C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001442371512 1096695018 /nfs/dbraw/zinc/69/50/18/1096695018.db2.gz CCWCPKPQJDEOCG-ZDUSSCGKSA-N 1 2 333.407 2.060 20 30 EEEDLO Cc1cc(CC(=O)NCC[N@H+](Cc2ccccc2C#N)C2CC2)no1 ZINC001442995532 1097415862 /nfs/dbraw/zinc/41/58/62/1097415862.db2.gz PVQDDERHZASQOW-UHFFFAOYSA-N 1 2 338.411 2.178 20 30 EEEDLO Cc1cc(CC(=O)NCC[N@@H+](Cc2ccccc2C#N)C2CC2)no1 ZINC001442995532 1097415864 /nfs/dbraw/zinc/41/58/64/1097415864.db2.gz PVQDDERHZASQOW-UHFFFAOYSA-N 1 2 338.411 2.178 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc(C(F)(F)F)n[nH]1)C1CC1 ZINC001443044948 1097453727 /nfs/dbraw/zinc/45/37/27/1097453727.db2.gz AAKDPVJIHASNPZ-UHFFFAOYSA-N 1 2 336.745 2.375 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc(C(F)(F)F)n[nH]1)C1CC1 ZINC001443044948 1097453730 /nfs/dbraw/zinc/45/37/30/1097453730.db2.gz AAKDPVJIHASNPZ-UHFFFAOYSA-N 1 2 336.745 2.375 20 30 EEEDLO C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)c1ccc2[nH]nnc2c1 ZINC001496295505 1100880504 /nfs/dbraw/zinc/88/05/04/1100880504.db2.gz MCOHOLQQHVJCLX-ZDUSSCGKSA-N 1 2 335.839 2.445 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)c1cc(C)on1 ZINC001447754712 1103237002 /nfs/dbraw/zinc/23/70/02/1103237002.db2.gz BHFANBYBSZLJDY-GFCCVEGCSA-N 1 2 342.237 2.428 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1cc(C)on1 ZINC001447754712 1103237010 /nfs/dbraw/zinc/23/70/10/1103237010.db2.gz BHFANBYBSZLJDY-GFCCVEGCSA-N 1 2 342.237 2.428 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)CC[C@H]2CCCO2)C1 ZINC001494524399 1104114921 /nfs/dbraw/zinc/11/49/21/1104114921.db2.gz CFEHSZSBERHQMD-GOSISDBHSA-N 1 2 327.428 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001498334983 1107315851 /nfs/dbraw/zinc/31/58/51/1107315851.db2.gz BQYZTVWQUSNQIH-GFCCVEGCSA-N 1 2 335.835 2.374 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001498334983 1107315861 /nfs/dbraw/zinc/31/58/61/1107315861.db2.gz BQYZTVWQUSNQIH-GFCCVEGCSA-N 1 2 335.835 2.374 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1conc1C(F)(F)F ZINC001498336325 1107319886 /nfs/dbraw/zinc/31/98/86/1107319886.db2.gz DMRCFOYJHRPJSL-QMMMGPOBSA-N 1 2 325.718 2.496 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1conc1C(F)(F)F ZINC001498336325 1107319898 /nfs/dbraw/zinc/31/98/98/1107319898.db2.gz DMRCFOYJHRPJSL-QMMMGPOBSA-N 1 2 325.718 2.496 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(-c2cnn(C)c2)o1 ZINC001506036606 1114363531 /nfs/dbraw/zinc/36/35/31/1114363531.db2.gz OJAJHURHEHHDQU-LBPRGKRZSA-N 1 2 336.823 2.483 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(-c2cnn(C)c2)o1 ZINC001506036606 1114363534 /nfs/dbraw/zinc/36/35/34/1114363534.db2.gz OJAJHURHEHHDQU-LBPRGKRZSA-N 1 2 336.823 2.483 20 30 EEEDLO Cn1cc[nH+]c1CCC(=O)NC1CCN(c2ccc(C#N)cc2)CC1 ZINC001548634959 1124401917 /nfs/dbraw/zinc/40/19/17/1124401917.db2.gz OEBPDNNOFHIYCB-UHFFFAOYSA-N 1 2 337.427 2.010 20 30 EEEDLO CCNC(=O)C[N@H+](CC)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000051471826 214095384 /nfs/dbraw/zinc/09/53/84/214095384.db2.gz MPIULRZTHMHMGB-UHFFFAOYSA-N 1 2 344.459 2.008 20 30 EEEDLO CCNC(=O)C[N@@H+](CC)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000051471826 214095388 /nfs/dbraw/zinc/09/53/88/214095388.db2.gz MPIULRZTHMHMGB-UHFFFAOYSA-N 1 2 344.459 2.008 20 30 EEEDLO CC[N@H+](Cc1nc2c(cnn2C)c(=O)[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000052828299 214148537 /nfs/dbraw/zinc/14/85/37/214148537.db2.gz MEESVGVSMNLJKE-GFCCVEGCSA-N 1 2 336.399 2.111 20 30 EEEDLO CC[N@@H+](Cc1nc2c(cnn2C)c(=O)[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000052828299 214148540 /nfs/dbraw/zinc/14/85/40/214148540.db2.gz MEESVGVSMNLJKE-GFCCVEGCSA-N 1 2 336.399 2.111 20 30 EEEDLO O=C(N[C@@H]1CCc2c[nH]nc2C1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000329887007 539785350 /nfs/dbraw/zinc/78/53/50/539785350.db2.gz WXAIQTZWAMCPMN-QGZVFWFLSA-N 1 2 340.427 2.104 20 30 EEEDLO CCC[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1nnc2ccccn21 ZINC000347638361 283566364 /nfs/dbraw/zinc/56/63/64/283566364.db2.gz PEUURIRWRYHSIX-NVXWUHKLSA-N 1 2 348.410 2.258 20 30 EEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NCC(C)(C)CC#N ZINC000422493589 240154620 /nfs/dbraw/zinc/15/46/20/240154620.db2.gz YPVSXTMQHLQMKM-AWEZNQCLSA-N 1 2 345.447 2.013 20 30 EEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC000459455113 245128377 /nfs/dbraw/zinc/12/83/77/245128377.db2.gz CMCQGONCEXKSLE-INIZCTEOSA-N 1 2 337.416 2.261 20 30 EEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC000459455113 245128383 /nfs/dbraw/zinc/12/83/83/245128383.db2.gz CMCQGONCEXKSLE-INIZCTEOSA-N 1 2 337.416 2.261 20 30 EEEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000491662528 246101752 /nfs/dbraw/zinc/10/17/52/246101752.db2.gz RCMBJUPHEWGUBL-LBPRGKRZSA-N 1 2 326.318 2.368 20 30 EEEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000491662528 246101756 /nfs/dbraw/zinc/10/17/56/246101756.db2.gz RCMBJUPHEWGUBL-LBPRGKRZSA-N 1 2 326.318 2.368 20 30 EEEDLO C#CC[NH+]1CCN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)CC1 ZINC000266113529 533156913 /nfs/dbraw/zinc/15/69/13/533156913.db2.gz UBOBUFYNWCEADG-UHFFFAOYSA-N 1 2 347.344 2.313 20 30 EEEDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000274086099 256352763 /nfs/dbraw/zinc/35/27/63/256352763.db2.gz SSRWALVIYTYQFG-VHSXEESVSA-N 1 2 332.795 2.018 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ncc(C)s2)CC1 ZINC000495053768 533502485 /nfs/dbraw/zinc/50/24/85/533502485.db2.gz PMZJYSYZOWXMES-HNNXBMFYSA-N 1 2 336.505 2.387 20 30 EEEDLO CCN(CCNc1nc(C)ccc1C#N)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001106967790 781994876 /nfs/dbraw/zinc/99/48/76/781994876.db2.gz ZMJFMKFQGPPEBJ-ZDUSSCGKSA-N 1 2 340.431 2.124 20 30 EEEDLO CCN(CCNc1nc(C)ccc1C#N)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001106967790 781994884 /nfs/dbraw/zinc/99/48/84/781994884.db2.gz ZMJFMKFQGPPEBJ-ZDUSSCGKSA-N 1 2 340.431 2.124 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057289896 132199273 /nfs/dbraw/zinc/19/92/73/132199273.db2.gz XCJVZSJQYQKWCC-SFHVURJKSA-N 1 2 332.423 2.002 20 30 EEEDLO N#Cc1ccccc1N1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000068819194 132199760 /nfs/dbraw/zinc/19/97/60/132199760.db2.gz ZDMXSQQIAGRALH-HXUWFJFHSA-N 1 2 346.434 2.486 20 30 EEEDLO CC(C)(C)OC(=O)NCC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000114208670 292230574 /nfs/dbraw/zinc/23/05/74/292230574.db2.gz MDYYUITYYSUIIP-UHFFFAOYSA-N 1 2 348.422 2.344 20 30 EEEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)C(N)=O)cc1 ZINC000115599301 152033051 /nfs/dbraw/zinc/03/30/51/152033051.db2.gz VFKJUWSBPHWKGQ-SFHVURJKSA-N 1 2 337.379 2.036 20 30 EEEDLO CCc1nc(C[N@@H+]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)cs1 ZINC000359895581 164192861 /nfs/dbraw/zinc/19/28/61/164192861.db2.gz HKROSWOQIYMJKG-UHFFFAOYSA-N 1 2 343.456 2.253 20 30 EEEDLO CCc1nc(C[N@H+]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)cs1 ZINC000359895581 164192862 /nfs/dbraw/zinc/19/28/62/164192862.db2.gz HKROSWOQIYMJKG-UHFFFAOYSA-N 1 2 343.456 2.253 20 30 EEEDLO CC[NH+]1CCN(C(=O)[C@H](C)SCCOc2cccc(C#N)c2)CC1 ZINC000289473530 266146633 /nfs/dbraw/zinc/14/66/33/266146633.db2.gz WLRLSRDZSMISEO-HNNXBMFYSA-N 1 2 347.484 2.223 20 30 EEEDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(C#N)cn1 ZINC000520940638 267054717 /nfs/dbraw/zinc/05/47/17/267054717.db2.gz DHKBYVNWCYHUJW-UHFFFAOYSA-N 1 2 326.375 2.231 20 30 EEEDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(C#N)cn1 ZINC000520940638 267054719 /nfs/dbraw/zinc/05/47/19/267054719.db2.gz DHKBYVNWCYHUJW-UHFFFAOYSA-N 1 2 326.375 2.231 20 30 EEEDLO C[C@@H]1C[C@@H](C)[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000281982058 267075339 /nfs/dbraw/zinc/07/53/39/267075339.db2.gz HTPLZKJNENOSFA-IIDMSEBBSA-N 1 2 327.428 2.016 20 30 EEEDLO C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000286668973 267172414 /nfs/dbraw/zinc/17/24/14/267172414.db2.gz PIRDPQNRNSCFDK-VKJFTORMSA-N 1 2 342.443 2.124 20 30 EEEDLO C[C@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCOC1 ZINC000272599940 267257810 /nfs/dbraw/zinc/25/78/10/267257810.db2.gz DZUXUHYMIKCHHX-IBGZPJMESA-N 1 2 327.428 2.019 20 30 EEEDLO C[C@]1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCOC1=O ZINC000289493507 267263083 /nfs/dbraw/zinc/26/30/83/267263083.db2.gz JEZIMSKYJGPGBF-KRWDZBQOSA-N 1 2 347.440 2.122 20 30 EEEDLO Cc1ccc(C#N)cc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287202244 267386681 /nfs/dbraw/zinc/38/66/81/267386681.db2.gz ZHPSDWSOXSLINS-GDBMZVCRSA-N 1 2 328.416 2.194 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2ccc(F)cc2C#N)CCO1 ZINC000275402377 269113035 /nfs/dbraw/zinc/11/30/35/269113035.db2.gz BZMRKLXNAJPOMP-CJNGLKHVSA-N 1 2 343.362 2.473 20 30 EEEDLO CCN1CCN(c2cc(C)c([N+](=O)[O-])cc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000413273543 276202368 /nfs/dbraw/zinc/20/23/68/276202368.db2.gz VNFYQYSPRGINOI-MRXNPFEDSA-N 1 2 340.387 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000360543727 277369318 /nfs/dbraw/zinc/36/93/18/277369318.db2.gz NUTBQIDXHCFGEW-YPMHNXCESA-N 1 2 335.429 2.222 20 30 EEEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000360543727 277369319 /nfs/dbraw/zinc/36/93/19/277369319.db2.gz NUTBQIDXHCFGEW-YPMHNXCESA-N 1 2 335.429 2.222 20 30 EEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000371091580 280202576 /nfs/dbraw/zinc/20/25/76/280202576.db2.gz ZYNHMOKAFLJUES-GOSISDBHSA-N 1 2 348.406 2.108 20 30 EEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000371091580 280202580 /nfs/dbraw/zinc/20/25/80/280202580.db2.gz ZYNHMOKAFLJUES-GOSISDBHSA-N 1 2 348.406 2.108 20 30 EEEDLO CCc1[nH+]c2ccccc2n1Cc1noc([C@H](C)n2cnc(C#N)n2)n1 ZINC000350247337 312319127 /nfs/dbraw/zinc/31/91/27/312319127.db2.gz HCIZNTKTYQCCMW-NSHDSACASA-N 1 2 348.370 2.102 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc1OC ZINC000552138587 318499814 /nfs/dbraw/zinc/49/98/14/318499814.db2.gz YLZUBCXQWUYCJV-UHFFFAOYSA-N 1 2 338.411 2.293 20 30 EEEDLO C[C@@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1[nH]cc[nH+]1 ZINC000566470726 319292364 /nfs/dbraw/zinc/29/23/64/319292364.db2.gz PEQQPPKZFKDHEC-YPMHNXCESA-N 1 2 327.363 2.124 20 30 EEEDLO Cc1noc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000577479523 320257554 /nfs/dbraw/zinc/25/75/54/320257554.db2.gz LYMXCQPAAUESGJ-SECBINFHSA-N 1 2 345.428 2.479 20 30 EEEDLO COc1ccc(C#N)cc1C[NH2+][C@H](CS(C)(=O)=O)c1ccccc1 ZINC000181775792 323356191 /nfs/dbraw/zinc/35/61/91/323356191.db2.gz DEQWWIFEMVWDOG-QGZVFWFLSA-N 1 2 344.436 2.442 20 30 EEEDLO CC[C@@H](C(=O)N(CCC#N)Cc1cccnc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339254542 465169003 /nfs/dbraw/zinc/16/90/03/465169003.db2.gz WPRXKYRKJHLAQG-MSOLQXFVSA-N 1 2 344.459 2.213 20 30 EEEDLO CC[C@@H](C(=O)N(CCC#N)Cc1cccnc1)[N@H+]1CCO[C@H](CC)C1 ZINC000339254542 465169006 /nfs/dbraw/zinc/16/90/06/465169006.db2.gz WPRXKYRKJHLAQG-MSOLQXFVSA-N 1 2 344.459 2.213 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)C1=O ZINC000337236163 465261107 /nfs/dbraw/zinc/26/11/07/465261107.db2.gz XWJNTXNYSMBQQJ-AWEZNQCLSA-N 1 2 335.354 2.378 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)C1=O ZINC000337236163 465261113 /nfs/dbraw/zinc/26/11/13/465261113.db2.gz XWJNTXNYSMBQQJ-AWEZNQCLSA-N 1 2 335.354 2.378 20 30 EEEDLO C=CCCCCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000355760745 465269929 /nfs/dbraw/zinc/26/99/29/465269929.db2.gz XYNGVPRXHFNHOY-QGZVFWFLSA-N 1 2 346.475 2.490 20 30 EEEDLO C=CCCCCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000355760745 465269935 /nfs/dbraw/zinc/26/99/35/465269935.db2.gz XYNGVPRXHFNHOY-QGZVFWFLSA-N 1 2 346.475 2.490 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC000341982063 465281226 /nfs/dbraw/zinc/28/12/26/465281226.db2.gz CWRKEYMTVLKOLD-CYBMUJFWSA-N 1 2 326.400 2.386 20 30 EEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1cccc2cc[nH]c21 ZINC000329374276 465314333 /nfs/dbraw/zinc/31/43/33/465314333.db2.gz KFYZCEKXCHUJTL-RHSMWYFYSA-N 1 2 342.443 2.377 20 30 EEEDLO Cn1c2ccccc2[nH+]c1N1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000329720033 465415507 /nfs/dbraw/zinc/41/55/07/465415507.db2.gz MRLVEWCQIGCOLA-INIZCTEOSA-N 1 2 328.416 2.270 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccco3)n2CC(C)C)CC1 ZINC000491123108 468305754 /nfs/dbraw/zinc/30/57/54/468305754.db2.gz ZKXNXMHEXHSBCE-UHFFFAOYSA-N 1 2 341.459 2.068 20 30 EEEDLO C#CCN(Cc1ccccc1)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000491142477 468307203 /nfs/dbraw/zinc/30/72/03/468307203.db2.gz CSYUZDJNRAHHNS-UHFFFAOYSA-N 1 2 349.434 2.189 20 30 EEEDLO N#Cc1ccc(NC(=O)CCN2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000045799621 462619385 /nfs/dbraw/zinc/61/93/85/462619385.db2.gz KLEJZDMPBSUHAS-UHFFFAOYSA-N 1 2 338.411 2.298 20 30 EEEDLO N#CCN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)C1CCCC1 ZINC000128261428 462623779 /nfs/dbraw/zinc/62/37/79/462623779.db2.gz FBRDUEGWOPMRMR-UHFFFAOYSA-N 1 2 327.428 2.427 20 30 EEEDLO COc1cc[nH+]cc1NC(=O)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000128314871 462627971 /nfs/dbraw/zinc/62/79/71/462627971.db2.gz WMKWPZIFOPKSER-CQSZACIVSA-N 1 2 338.367 2.190 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000064249910 462690812 /nfs/dbraw/zinc/69/08/12/462690812.db2.gz BOXXNQICSLLASC-AWEZNQCLSA-N 1 2 349.862 2.179 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000064249910 462690815 /nfs/dbraw/zinc/69/08/15/462690815.db2.gz BOXXNQICSLLASC-AWEZNQCLSA-N 1 2 349.862 2.179 20 30 EEEDLO COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000046781458 462704322 /nfs/dbraw/zinc/70/43/22/462704322.db2.gz PCZOQGXUOQXNOM-CQSZACIVSA-N 1 2 342.399 2.127 20 30 EEEDLO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1=O ZINC000076153240 462816135 /nfs/dbraw/zinc/81/61/35/462816135.db2.gz ZCZNHBBDVWHDLY-HOTGVXAUSA-N 1 2 340.427 2.089 20 30 EEEDLO CC1(C)NC(=O)N(CC[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1=O ZINC000076153240 462816136 /nfs/dbraw/zinc/81/61/36/462816136.db2.gz ZCZNHBBDVWHDLY-HOTGVXAUSA-N 1 2 340.427 2.089 20 30 EEEDLO C[C@@H](Sc1[nH+]cnc2c1cnn2C)C(=O)Nc1cccc(C#N)c1 ZINC000011679913 462837190 /nfs/dbraw/zinc/83/71/90/462837190.db2.gz HCRMTUWVQGYMIQ-SNVBAGLBSA-N 1 2 338.396 2.354 20 30 EEEDLO COC(=O)C1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000016517079 462981756 /nfs/dbraw/zinc/98/17/56/462981756.db2.gz XPLKESXTIJEZNF-UHFFFAOYSA-N 1 2 347.440 2.126 20 30 EEEDLO CCOc1ccc(C[NH+]2CCN(C(=O)C3(C#N)CCC3)CC2)cc1 ZINC000134533412 463052395 /nfs/dbraw/zinc/05/23/95/463052395.db2.gz CKFWDICIGLGQEP-UHFFFAOYSA-N 1 2 327.428 2.423 20 30 EEEDLO CC(C)(O)C[NH+]1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000134774704 463080989 /nfs/dbraw/zinc/08/09/89/463080989.db2.gz QDBKSUPLTRODOP-UHFFFAOYSA-N 1 2 338.249 2.214 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000052635846 463097045 /nfs/dbraw/zinc/09/70/45/463097045.db2.gz PRIWQSWUXPIDHW-AWEZNQCLSA-N 1 2 334.851 2.223 20 30 EEEDLO N#CC1(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCC1 ZINC000121412344 463131527 /nfs/dbraw/zinc/13/15/27/463131527.db2.gz BXXUFALBQWLKQA-UHFFFAOYSA-N 1 2 346.862 2.272 20 30 EEEDLO C#C[C@H]1COCC[N@H+]1Cn1ccc(=O)c2cccc(Br)c21 ZINC000491298605 468344379 /nfs/dbraw/zinc/34/43/79/468344379.db2.gz WFFIEZAVYQRAFA-LBPRGKRZSA-N 1 2 347.212 2.056 20 30 EEEDLO C#C[C@H]1COCC[N@@H+]1Cn1ccc(=O)c2cccc(Br)c21 ZINC000491298605 468344383 /nfs/dbraw/zinc/34/43/83/468344383.db2.gz WFFIEZAVYQRAFA-LBPRGKRZSA-N 1 2 347.212 2.056 20 30 EEEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCOCC2CC2)CC1 ZINC000158950212 463260149 /nfs/dbraw/zinc/26/01/49/463260149.db2.gz HIBVXMLFXXRYFY-UHFFFAOYSA-N 1 2 342.399 2.355 20 30 EEEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000029536124 463262456 /nfs/dbraw/zinc/26/24/56/463262456.db2.gz QQDOWAWIODQFJM-AZUAARDMSA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000029536124 463262459 /nfs/dbraw/zinc/26/24/59/463262459.db2.gz QQDOWAWIODQFJM-AZUAARDMSA-N 1 2 338.407 2.371 20 30 EEEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000160962217 463386437 /nfs/dbraw/zinc/38/64/37/463386437.db2.gz MJBWRBUFHPLRNV-SFHVURJKSA-N 1 2 330.428 2.075 20 30 EEEDLO C#C[C@H](C)N(C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000491622345 468361293 /nfs/dbraw/zinc/36/12/93/468361293.db2.gz DUQNZOYJDWWVFG-AWEZNQCLSA-N 1 2 334.489 2.267 20 30 EEEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NC(=O)NCc1ccco1 ZINC000072692922 463535275 /nfs/dbraw/zinc/53/52/75/463535275.db2.gz OTKLBODGFVCVBL-UHFFFAOYSA-N 1 2 334.420 2.257 20 30 EEEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NC(=O)NCc1ccco1 ZINC000072692922 463535282 /nfs/dbraw/zinc/53/52/82/463535282.db2.gz OTKLBODGFVCVBL-UHFFFAOYSA-N 1 2 334.420 2.257 20 30 EEEDLO C=CCCOCCNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000125426510 463543409 /nfs/dbraw/zinc/54/34/09/463543409.db2.gz DATZUTXCIYYAKW-OAHLLOKOSA-N 1 2 341.402 2.459 20 30 EEEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184883385 463712161 /nfs/dbraw/zinc/71/21/61/463712161.db2.gz JEUNMAJXJWVGBO-LBPRGKRZSA-N 1 2 328.372 2.004 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000185415129 463819393 /nfs/dbraw/zinc/81/93/93/463819393.db2.gz VGTBONOPLLNESQ-CQSZACIVSA-N 1 2 341.415 2.073 20 30 EEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(C#N)ccc1Cl ZINC000287261379 463850455 /nfs/dbraw/zinc/85/04/55/463850455.db2.gz KDJVXJUGHUQNOB-GXTWGEPZSA-N 1 2 333.819 2.147 20 30 EEEDLO COCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccn1 ZINC000287279870 463857278 /nfs/dbraw/zinc/85/72/78/463857278.db2.gz IBHZYLOKUSWKOX-UHFFFAOYSA-N 1 2 344.459 2.215 20 30 EEEDLO COCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccn1 ZINC000287279870 463857282 /nfs/dbraw/zinc/85/72/82/463857282.db2.gz IBHZYLOKUSWKOX-UHFFFAOYSA-N 1 2 344.459 2.215 20 30 EEEDLO CC(C)[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000277507282 463918116 /nfs/dbraw/zinc/91/81/16/463918116.db2.gz TZGBBNIHRGBIIV-MOPGFXCFSA-N 1 2 341.455 2.264 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178789235 463974150 /nfs/dbraw/zinc/97/41/50/463974150.db2.gz WKPJPWMFRJDHSK-CMJOXMDJSA-N 1 2 334.485 2.445 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178789235 463974159 /nfs/dbraw/zinc/97/41/59/463974159.db2.gz WKPJPWMFRJDHSK-CMJOXMDJSA-N 1 2 334.485 2.445 20 30 EEEDLO C=C(CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)c1ccccc1 ZINC000288001319 464028260 /nfs/dbraw/zinc/02/82/60/464028260.db2.gz LHXSJTCCGOSPHS-AEFFLSMTSA-N 1 2 329.444 2.204 20 30 EEEDLO CCc1cc(N)nc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)[nH+]1 ZINC000279089620 464036519 /nfs/dbraw/zinc/03/65/19/464036519.db2.gz NGYUHUQEJDIDIK-NSHDSACASA-N 1 2 333.461 2.444 20 30 EEEDLO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cnn(C)c1 ZINC000195518589 464067914 /nfs/dbraw/zinc/06/79/14/464067914.db2.gz RKDRJJGWQBKGQN-UHFFFAOYSA-N 1 2 331.807 2.406 20 30 EEEDLO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cnn(C)c1 ZINC000195518589 464067918 /nfs/dbraw/zinc/06/79/18/464067918.db2.gz RKDRJJGWQBKGQN-UHFFFAOYSA-N 1 2 331.807 2.406 20 30 EEEDLO Cc1cccnc1OC1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000279307203 464087494 /nfs/dbraw/zinc/08/74/94/464087494.db2.gz QYGMBZZLTROFEL-IBGZPJMESA-N 1 2 342.443 2.042 20 30 EEEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000292298147 464190342 /nfs/dbraw/zinc/19/03/42/464190342.db2.gz UQHJJAVOZCKEEJ-UHFFFAOYSA-N 1 2 340.427 2.309 20 30 EEEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000292298147 464190347 /nfs/dbraw/zinc/19/03/47/464190347.db2.gz UQHJJAVOZCKEEJ-UHFFFAOYSA-N 1 2 340.427 2.309 20 30 EEEDLO C[NH+]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000263949550 464249451 /nfs/dbraw/zinc/24/94/51/464249451.db2.gz NJTOYFZPUMNIAC-UHFFFAOYSA-N 1 2 325.368 2.118 20 30 EEEDLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2nncn2C)c(-c2ccc(C#N)cc2)n1 ZINC000180227835 464269374 /nfs/dbraw/zinc/26/93/74/464269374.db2.gz OOPVCEGGYXNGBO-QGZVFWFLSA-N 1 2 347.426 2.424 20 30 EEEDLO Cn1cc(C[N@H+]2CCC[C@@H]2c2nncn2C)c(-c2ccc(C#N)cc2)n1 ZINC000180227835 464269376 /nfs/dbraw/zinc/26/93/76/464269376.db2.gz OOPVCEGGYXNGBO-QGZVFWFLSA-N 1 2 347.426 2.424 20 30 EEEDLO Cc1cc(NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1CCC#N ZINC000271094502 464279473 /nfs/dbraw/zinc/27/94/73/464279473.db2.gz WBKCGAKVKCWPKK-HLLBOEOZSA-N 1 2 347.463 2.178 20 30 EEEDLO Cc1cc(NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nn1CCC#N ZINC000271094502 464279479 /nfs/dbraw/zinc/27/94/79/464279479.db2.gz WBKCGAKVKCWPKK-HLLBOEOZSA-N 1 2 347.463 2.178 20 30 EEEDLO C=CCN(C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000271389588 464298021 /nfs/dbraw/zinc/29/80/21/464298021.db2.gz JUCWKXUKDJMUAQ-GOSISDBHSA-N 1 2 329.444 2.247 20 30 EEEDLO C=CCN(C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000271389588 464298028 /nfs/dbraw/zinc/29/80/28/464298028.db2.gz JUCWKXUKDJMUAQ-GOSISDBHSA-N 1 2 329.444 2.247 20 30 EEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC(=O)Nc1ccc(F)cc1F ZINC000174227098 464380268 /nfs/dbraw/zinc/38/02/68/464380268.db2.gz RXMLKVXKMSSGKF-JTQLQIEISA-N 1 2 329.347 2.253 20 30 EEEDLO C=CCCCCCN(C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000174310583 464391128 /nfs/dbraw/zinc/39/11/28/464391128.db2.gz SWXHTVIAXWQQLQ-UHFFFAOYSA-N 1 2 330.476 2.408 20 30 EEEDLO C=C(C)CN(C)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000180791959 464396679 /nfs/dbraw/zinc/39/66/79/464396679.db2.gz OFVOSKDFJLPKLH-UHFFFAOYSA-N 1 2 347.459 2.115 20 30 EEEDLO C=CCN1CC[C@H](N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)C1=O ZINC000281337477 464417988 /nfs/dbraw/zinc/41/79/88/464417988.db2.gz MHZCTIRKRQWRMM-SFHVURJKSA-N 1 2 340.402 2.156 20 30 EEEDLO C=CC[C@H](C)NC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000265322221 464517233 /nfs/dbraw/zinc/51/72/33/464517233.db2.gz NWXVRVCIZFLGPT-GJZGRUSLSA-N 1 2 345.443 2.099 20 30 EEEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000246503370 464593231 /nfs/dbraw/zinc/59/32/31/464593231.db2.gz HTFBTDONMIJBPX-CJNGLKHVSA-N 1 2 329.379 2.465 20 30 EEEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000246503370 464593238 /nfs/dbraw/zinc/59/32/38/464593238.db2.gz HTFBTDONMIJBPX-CJNGLKHVSA-N 1 2 329.379 2.465 20 30 EEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000246832261 464625440 /nfs/dbraw/zinc/62/54/40/464625440.db2.gz AOOOWRDDYHOCBE-UONOGXRCSA-N 1 2 333.457 2.476 20 30 EEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000246832261 464625443 /nfs/dbraw/zinc/62/54/43/464625443.db2.gz AOOOWRDDYHOCBE-UONOGXRCSA-N 1 2 333.457 2.476 20 30 EEEDLO C=CCN1CC[C@H]([NH+]2CCN([C@H](C)c3ccc(F)cc3F)CC2)C1=O ZINC000282101256 464697480 /nfs/dbraw/zinc/69/74/80/464697480.db2.gz WAYHSOPHFRPLMT-KDOFPFPSSA-N 1 2 349.425 2.430 20 30 EEEDLO Cc1cc(Br)cn2c(CN3CCO[C@@H](C#N)C3)c[nH+]c12 ZINC000273459186 464717377 /nfs/dbraw/zinc/71/73/77/464717377.db2.gz IKCRMMYEMIHNTQ-ZDUSSCGKSA-N 1 2 335.205 2.130 20 30 EEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCC(=O)N[C@H](C)c1cccs1 ZINC000266170842 464767018 /nfs/dbraw/zinc/76/70/18/464767018.db2.gz CINBCKWEXTVEFS-VXGBXAGGSA-N 1 2 327.450 2.275 20 30 EEEDLO COc1ccc2nc(C[NH+]3CCC(C#N)(c4ccccn4)CC3)[nH]c2n1 ZINC000554565011 468422364 /nfs/dbraw/zinc/42/23/64/468422364.db2.gz SLXYEDFDJFMGAG-UHFFFAOYSA-N 1 2 348.410 2.419 20 30 EEEDLO CC(C)Nc1nc(N[C@H](C)c2ccc(C#N)cc2)nc(NCCO)[nH+]1 ZINC000286151357 464820005 /nfs/dbraw/zinc/82/00/05/464820005.db2.gz OCUPQSKLOMXUNC-GFCCVEGCSA-N 1 2 341.419 2.141 20 30 EEEDLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@H](C)c2ccc(C#N)cc2)n1 ZINC000286151357 464820012 /nfs/dbraw/zinc/82/00/12/464820012.db2.gz OCUPQSKLOMXUNC-GFCCVEGCSA-N 1 2 341.419 2.141 20 30 EEEDLO CC(C)Nc1nc(NCCO)nc(N[C@H](C)c2ccc(C#N)cc2)[nH+]1 ZINC000286151357 464820017 /nfs/dbraw/zinc/82/00/17/464820017.db2.gz OCUPQSKLOMXUNC-GFCCVEGCSA-N 1 2 341.419 2.141 20 30 EEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(C#N)cc3Cl)C[C@H]21 ZINC000286163377 464823860 /nfs/dbraw/zinc/82/38/60/464823860.db2.gz YWUKWNNUIBYAEG-HUUCEWRRSA-N 1 2 334.807 2.148 20 30 EEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(C#N)cc3Cl)C[C@H]21 ZINC000286163377 464823867 /nfs/dbraw/zinc/82/38/67/464823867.db2.gz YWUKWNNUIBYAEG-HUUCEWRRSA-N 1 2 334.807 2.148 20 30 EEEDLO CCC[N@H+](CC(=O)OC)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000183248660 464833041 /nfs/dbraw/zinc/83/30/41/464833041.db2.gz HKIWISUBHFSIHJ-UHFFFAOYSA-N 1 2 326.400 2.344 20 30 EEEDLO CCC[N@@H+](CC(=O)OC)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000183248660 464833048 /nfs/dbraw/zinc/83/30/48/464833048.db2.gz HKIWISUBHFSIHJ-UHFFFAOYSA-N 1 2 326.400 2.344 20 30 EEEDLO C#CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncccn3)C2)CCCCC1 ZINC000276404917 464920067 /nfs/dbraw/zinc/92/00/67/464920067.db2.gz HHFCIHSQYPQICO-QGZVFWFLSA-N 1 2 340.471 2.483 20 30 EEEDLO C#CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncccn3)C2)CCCCC1 ZINC000276404917 464920073 /nfs/dbraw/zinc/92/00/73/464920073.db2.gz HHFCIHSQYPQICO-QGZVFWFLSA-N 1 2 340.471 2.483 20 30 EEEDLO C=CCN(CC=C)C(=O)CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC000267237639 464922149 /nfs/dbraw/zinc/92/21/49/464922149.db2.gz DPHAJYMAUZNYES-UHFFFAOYSA-N 1 2 343.471 2.026 20 30 EEEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)cc1 ZINC000337377893 465335347 /nfs/dbraw/zinc/33/53/47/465335347.db2.gz HNTBVUYPERQIFI-UHFFFAOYSA-N 1 2 338.411 2.243 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@@H](c2ccccc2F)C1 ZINC000329633616 465392951 /nfs/dbraw/zinc/39/29/51/465392951.db2.gz WTRWMUHTJMKECT-SJKOYZFVSA-N 1 2 344.390 2.394 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@@H](c2ccccc2F)C1 ZINC000329633616 465392952 /nfs/dbraw/zinc/39/29/52/465392952.db2.gz WTRWMUHTJMKECT-SJKOYZFVSA-N 1 2 344.390 2.394 20 30 EEEDLO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@@H]1C[C@]12CCOC2 ZINC000329630324 465393146 /nfs/dbraw/zinc/39/31/46/465393146.db2.gz VJFHFHNHRSWGIO-SCTDSRPQSA-N 1 2 330.428 2.443 20 30 EEEDLO Cc1noc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n1 ZINC000348097417 465420109 /nfs/dbraw/zinc/42/01/09/465420109.db2.gz VIDHDSINIGSBQX-XPFWZQFZSA-N 1 2 333.436 2.348 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1C[C@@H]3CC[C@H](O)[C@H]3C1)C2 ZINC000329759345 465426096 /nfs/dbraw/zinc/42/60/96/465426096.db2.gz OSXRIWGYNOCSLB-AJNGGQMLSA-N 1 2 346.475 2.112 20 30 EEEDLO Cc1nsc(N2CCN(Cc3[nH+]ccn3C(C)C)CC2)c1C#N ZINC000329804880 465439352 /nfs/dbraw/zinc/43/93/52/465439352.db2.gz AHLBHOLPUJDDTM-UHFFFAOYSA-N 1 2 330.461 2.423 20 30 EEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(OC(F)(F)F)c3)C[C@H]21 ZINC000329912463 465472922 /nfs/dbraw/zinc/47/29/22/465472922.db2.gz BGXHKYAXKLWMRA-OLZOCXBDSA-N 1 2 345.321 2.146 20 30 EEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(OC(F)(F)F)c3)C[C@H]21 ZINC000329912463 465472928 /nfs/dbraw/zinc/47/29/28/465472928.db2.gz BGXHKYAXKLWMRA-OLZOCXBDSA-N 1 2 345.321 2.146 20 30 EEEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NCc1c(C)[nH+]c2ccccn21 ZINC000359628087 465474008 /nfs/dbraw/zinc/47/40/08/465474008.db2.gz AGRURCASIVPMAB-UHFFFAOYSA-N 1 2 343.394 3.016 20 30 EEEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CCC([C@H]2CCCO2)CC1 ZINC000329927985 465477109 /nfs/dbraw/zinc/47/71/09/465477109.db2.gz XLQNUZUUOYZLLI-GOEBONIOSA-N 1 2 332.448 2.251 20 30 EEEDLO Cc1cccnc1[C@H](NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)C(C)C ZINC000329938227 465480255 /nfs/dbraw/zinc/48/02/55/465480255.db2.gz LUQZNOUJFDEOON-HRCADAONSA-N 1 2 332.448 2.016 20 30 EEEDLO Cc1cccnc1[C@H](NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)C(C)C ZINC000329938227 465480261 /nfs/dbraw/zinc/48/02/61/465480261.db2.gz LUQZNOUJFDEOON-HRCADAONSA-N 1 2 332.448 2.016 20 30 EEEDLO CC(=O)N1CC[NH+](CCNC(=O)c2coc3cc(F)ccc23)CC1 ZINC000330024708 465509556 /nfs/dbraw/zinc/50/95/56/465509556.db2.gz JYAHHCKKFBRTDP-UHFFFAOYSA-N 1 2 333.363 2.041 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000352399491 465524637 /nfs/dbraw/zinc/52/46/37/465524637.db2.gz SNLBEXXLJMULNC-XPKDYRNWSA-N 1 2 337.855 2.226 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000352399491 465524643 /nfs/dbraw/zinc/52/46/43/465524643.db2.gz SNLBEXXLJMULNC-XPKDYRNWSA-N 1 2 337.855 2.226 20 30 EEEDLO C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1nnc2ccccn21 ZINC000298896427 465536304 /nfs/dbraw/zinc/53/63/04/465536304.db2.gz MCFPQCBRHKJNCH-BBRMVZONSA-N 1 2 346.394 2.057 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCCN(c2ccccc2)CC1 ZINC000330199437 465565330 /nfs/dbraw/zinc/56/53/30/465565330.db2.gz VLAKPJZKYITKPM-MRXNPFEDSA-N 1 2 339.443 2.324 20 30 EEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCCN(c2ccccc2)CC1 ZINC000330199437 465565336 /nfs/dbraw/zinc/56/53/36/465565336.db2.gz VLAKPJZKYITKPM-MRXNPFEDSA-N 1 2 339.443 2.324 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@@H]1C[C@H](O)C1(C)C)C2 ZINC000330278693 465595692 /nfs/dbraw/zinc/59/56/92/465595692.db2.gz PZHCITHOUXXCMB-SCRDCRAPSA-N 1 2 334.464 2.158 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@@H]1C[C@H](O)C1(C)C)C2 ZINC000330278693 465595699 /nfs/dbraw/zinc/59/56/99/465595699.db2.gz PZHCITHOUXXCMB-SCRDCRAPSA-N 1 2 334.464 2.158 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@@H]1C[C@@H](O)C1(C)C)C2 ZINC000330278692 465596867 /nfs/dbraw/zinc/59/68/67/465596867.db2.gz PZHCITHOUXXCMB-OUCADQQQSA-N 1 2 334.464 2.158 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@@H]1C[C@@H](O)C1(C)C)C2 ZINC000330278692 465596873 /nfs/dbraw/zinc/59/68/73/465596873.db2.gz PZHCITHOUXXCMB-OUCADQQQSA-N 1 2 334.464 2.158 20 30 EEEDLO CCc1noc(C)c1NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000330333409 465617366 /nfs/dbraw/zinc/61/73/66/465617366.db2.gz PTROPMXZYXUUTK-ZDUSSCGKSA-N 1 2 332.408 2.193 20 30 EEEDLO C[N@H+](CCc1cnccn1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000357030126 465715025 /nfs/dbraw/zinc/71/50/25/465715025.db2.gz XMTXIQCOMIJTPM-UHFFFAOYSA-N 1 2 329.791 2.115 20 30 EEEDLO C[N@@H+](CCc1cnccn1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000357030126 465715029 /nfs/dbraw/zinc/71/50/29/465715029.db2.gz XMTXIQCOMIJTPM-UHFFFAOYSA-N 1 2 329.791 2.115 20 30 EEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000330692579 465763899 /nfs/dbraw/zinc/76/38/99/465763899.db2.gz HIMYVOFYYZHEJO-UHFFFAOYSA-N 1 2 330.432 2.145 20 30 EEEDLO COc1cc(C#N)ccc1C[N@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000330692579 465763905 /nfs/dbraw/zinc/76/39/05/465763905.db2.gz HIMYVOFYYZHEJO-UHFFFAOYSA-N 1 2 330.432 2.145 20 30 EEEDLO N#CC1(CC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCCCC1 ZINC000597129931 468454167 /nfs/dbraw/zinc/45/41/67/468454167.db2.gz MQQJEPFAZSWIRT-UHFFFAOYSA-N 1 2 345.447 2.018 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000299720575 465869367 /nfs/dbraw/zinc/86/93/67/465869367.db2.gz ZKJMIFOKVATFFU-KRWDZBQOSA-N 1 2 332.444 2.333 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362605276 465875409 /nfs/dbraw/zinc/87/54/09/465875409.db2.gz DIYQVLMTVDJZAQ-KRWDZBQOSA-N 1 2 346.427 2.073 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362605276 465875412 /nfs/dbraw/zinc/87/54/12/465875412.db2.gz DIYQVLMTVDJZAQ-KRWDZBQOSA-N 1 2 346.427 2.073 20 30 EEEDLO Cc1nc(C(=O)NCCNc2ccc3ccccc3[nH+]2)ccc1C#N ZINC000345847289 465908679 /nfs/dbraw/zinc/90/86/79/465908679.db2.gz ITWQKCNWVTUBIQ-UHFFFAOYSA-N 1 2 331.379 2.652 20 30 EEEDLO COCC[N@@H+](Cc1cn2ccccc2c1C#N)C[C@H](O)C(F)(F)F ZINC000594018076 468462665 /nfs/dbraw/zinc/46/26/65/468462665.db2.gz QWSPMUSZEAZJJT-HNNXBMFYSA-N 1 2 341.333 2.183 20 30 EEEDLO COCC[N@H+](Cc1cn2ccccc2c1C#N)C[C@H](O)C(F)(F)F ZINC000594018076 468462666 /nfs/dbraw/zinc/46/26/66/468462666.db2.gz QWSPMUSZEAZJJT-HNNXBMFYSA-N 1 2 341.333 2.183 20 30 EEEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000331423950 466077095 /nfs/dbraw/zinc/07/70/95/466077095.db2.gz IKSHCDUEOPWIEB-GOEBONIOSA-N 1 2 327.432 2.292 20 30 EEEDLO CC(=O)c1ccc(C#N)c(NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000302033250 466084638 /nfs/dbraw/zinc/08/46/38/466084638.db2.gz 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466147198 /nfs/dbraw/zinc/14/71/98/466147198.db2.gz DBBOIKOFVHFTME-UHFFFAOYSA-N 1 2 338.249 2.214 20 30 EEEDLO C=C(Br)CNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000302921185 466214304 /nfs/dbraw/zinc/21/43/04/466214304.db2.gz ZZSHXWBUMIAVAQ-LLVKDONJSA-N 1 2 327.226 2.148 20 30 EEEDLO C=C(Br)CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000302921185 466214311 /nfs/dbraw/zinc/21/43/11/466214311.db2.gz ZZSHXWBUMIAVAQ-LLVKDONJSA-N 1 2 327.226 2.148 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000357832551 466248165 /nfs/dbraw/zinc/24/81/65/466248165.db2.gz RZKLQGFQJKXCEQ-VXGBXAGGSA-N 1 2 348.472 2.231 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000357832551 466248171 /nfs/dbraw/zinc/24/81/71/466248171.db2.gz RZKLQGFQJKXCEQ-VXGBXAGGSA-N 1 2 348.472 2.231 20 30 EEEDLO C=CCCC(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000338665524 466300475 /nfs/dbraw/zinc/30/04/75/466300475.db2.gz GBCWOTZNLUUFDX-UHFFFAOYSA-N 1 2 328.416 2.342 20 30 EEEDLO 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Cc1cc(N[C@H]2CCN(CCCc3ccccc3)C2=O)c(C#N)c[nH+]1 ZINC000425222665 467089464 /nfs/dbraw/zinc/08/94/64/467089464.db2.gz ATJXETMHPFXLNS-SFHVURJKSA-N 1 2 334.423 2.329 20 30 EEEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000425444584 467093817 /nfs/dbraw/zinc/09/38/17/467093817.db2.gz CBFSTCVTKAXJFH-HRCADAONSA-N 1 2 344.459 2.370 20 30 EEEDLO Cc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c(C#N)cc1[N+](=O)[O-] ZINC000413282714 467205916 /nfs/dbraw/zinc/20/59/16/467205916.db2.gz QHDBUFNYUCPKNR-DZGCQCFKSA-N 1 2 330.388 2.074 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nnc2sc3ccccc3n12 ZINC000414096040 467376802 /nfs/dbraw/zinc/37/68/02/467376802.db2.gz KVFKZWIOHVUHGV-NSHDSACASA-N 1 2 347.469 2.242 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nnc2sc3ccccc3n12 ZINC000414096040 467376803 /nfs/dbraw/zinc/37/68/03/467376803.db2.gz KVFKZWIOHVUHGV-NSHDSACASA-N 1 2 347.469 2.242 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](NC(C)=O)C1 ZINC000420975741 467524073 /nfs/dbraw/zinc/52/40/73/467524073.db2.gz ANFSAOARYNQZHZ-AWEZNQCLSA-N 1 2 333.457 2.114 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](NC(C)=O)C1 ZINC000420975741 467524074 /nfs/dbraw/zinc/52/40/74/467524074.db2.gz ANFSAOARYNQZHZ-AWEZNQCLSA-N 1 2 333.457 2.114 20 30 EEEDLO CCn1nnc(C)c1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000449286635 467628259 /nfs/dbraw/zinc/62/82/59/467628259.db2.gz VDYWAMKNMLUGGL-UHFFFAOYSA-N 1 2 344.850 2.454 20 30 EEEDLO COc1ccc2[nH+]c(C)cc(OCC(=O)NC3(C#N)CCC3)c2c1 ZINC000527120058 467654701 /nfs/dbraw/zinc/65/47/01/467654701.db2.gz VIJOBTUNFTUFGB-UHFFFAOYSA-N 1 2 325.368 2.493 20 30 EEEDLO C=C(C)CCNC(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000455324925 467664267 /nfs/dbraw/zinc/66/42/67/467664267.db2.gz MLWNRAYSEAOYJG-HNNXBMFYSA-N 1 2 335.452 2.340 20 30 EEEDLO C=C(C)CCNC(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000455324925 467664273 /nfs/dbraw/zinc/66/42/73/467664273.db2.gz MLWNRAYSEAOYJG-HNNXBMFYSA-N 1 2 335.452 2.340 20 30 EEEDLO C=CCOC(=O)N1CCC(OC(=O)/C=C/c2[nH+]ccn2CC)CC1 ZINC000496615689 467677016 /nfs/dbraw/zinc/67/70/16/467677016.db2.gz FRIBCVFYGQCBFO-AATRIKPKSA-N 1 2 333.388 2.246 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncc(C#N)cn1 ZINC000497047072 467805853 /nfs/dbraw/zinc/80/58/53/467805853.db2.gz QGXDVLXDAMFPEK-CABCVRRESA-N 1 2 343.431 2.322 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncc(C#N)cn1 ZINC000497047072 467805857 /nfs/dbraw/zinc/80/58/57/467805857.db2.gz QGXDVLXDAMFPEK-CABCVRRESA-N 1 2 343.431 2.322 20 30 EEEDLO COc1cc(CN(CCC#N)CC[NH+]2CCOCC2)ccc1Cl ZINC000450461609 467854413 /nfs/dbraw/zinc/85/44/13/467854413.db2.gz BRENFBOOMIYRHU-UHFFFAOYSA-N 1 2 337.851 2.396 20 30 EEEDLO Cc1ccc(Br)cc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000514856595 467958916 /nfs/dbraw/zinc/95/89/16/467958916.db2.gz PAXIUOSHWFRYJM-ZDUSSCGKSA-N 1 2 326.238 2.376 20 30 EEEDLO Cc1ccc(Br)cc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000514856595 467958919 /nfs/dbraw/zinc/95/89/19/467958919.db2.gz PAXIUOSHWFRYJM-ZDUSSCGKSA-N 1 2 326.238 2.376 20 30 EEEDLO CC(C)C[C@H](CNC(=O)[C@]1(C#N)CC12CCCC2)[NH+]1CCOCC1 ZINC000517281603 468079863 /nfs/dbraw/zinc/07/98/63/468079863.db2.gz AIABTPTVPMHWBN-VQIMIIECSA-N 1 2 333.476 2.324 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(C(F)(F)F)n[nH]3)C2)nc1 ZINC000517660404 468091823 /nfs/dbraw/zinc/09/18/23/468091823.db2.gz QWGLSBQXFAORSP-LBPRGKRZSA-N 1 2 337.305 2.348 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(C(F)(F)F)n[nH]3)C2)nc1 ZINC000517660404 468091826 /nfs/dbraw/zinc/09/18/26/468091826.db2.gz QWGLSBQXFAORSP-LBPRGKRZSA-N 1 2 337.305 2.348 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(F)F)CC3)C2=O)cc1 ZINC000532440209 468119071 /nfs/dbraw/zinc/11/90/71/468119071.db2.gz OZZCTEISGDMKQS-AWEZNQCLSA-N 1 2 333.338 2.167 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(C#N)n1)c1ccccc1F ZINC000589272582 468139319 /nfs/dbraw/zinc/13/93/19/468139319.db2.gz VLUHHCJFQPHDJW-MRXNPFEDSA-N 1 2 335.342 2.345 20 30 EEEDLO 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468641532 /nfs/dbraw/zinc/64/15/32/468641532.db2.gz WUTSATZYXFPQPT-AKMRJOLWSA-N 1 2 345.487 2.012 20 30 EEEDLO CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592152384 468641536 /nfs/dbraw/zinc/64/15/36/468641536.db2.gz WUTSATZYXFPQPT-AKMRJOLWSA-N 1 2 345.487 2.012 20 30 EEEDLO Cc1c(Br)ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1F ZINC000583634062 468732576 /nfs/dbraw/zinc/73/25/76/468732576.db2.gz HUPNKILIQCUYJY-CQSZACIVSA-N 1 2 342.212 2.470 20 30 EEEDLO C[C@H](C#N)N(C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000598129689 468774779 /nfs/dbraw/zinc/77/47/79/468774779.db2.gz XRCZBPXKNGCRMO-CABCVRRESA-N 1 2 344.434 2.239 20 30 EEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000595401542 468839937 /nfs/dbraw/zinc/83/99/37/468839937.db2.gz JYQHATQLCHHXMW-CQSZACIVSA-N 1 2 341.415 2.185 20 30 EEEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000598593227 468926013 /nfs/dbraw/zinc/92/60/13/468926013.db2.gz QWBVXCYFEMUPKJ-MRXNPFEDSA-N 1 2 349.862 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C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616132528 469377886 /nfs/dbraw/zinc/37/78/86/469377886.db2.gz NYWGVCUUXYKFQY-CABCVRRESA-N 1 2 344.434 2.287 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)nc1 ZINC000619778153 469680481 /nfs/dbraw/zinc/68/04/81/469680481.db2.gz NGDCDGLDEIGPOR-INIZCTEOSA-N 1 2 326.787 2.393 20 30 EEEDLO CCC(CC)CN(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000609188523 469900445 /nfs/dbraw/zinc/90/04/45/469900445.db2.gz ALHJIMQBVIJLMI-UHFFFAOYSA-N 1 2 326.404 2.454 20 30 EEEDLO CC(C)C[C@@H](C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000609793170 469961253 /nfs/dbraw/zinc/96/12/53/469961253.db2.gz SPITYYOOTUJEHW-WBVHZDCISA-N 1 2 346.450 2.391 20 30 EEEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000609853524 469965485 /nfs/dbraw/zinc/96/54/85/469965485.db2.gz NTDGGQLSOYIMDG-UHFFFAOYSA-N 1 2 327.428 2.342 20 30 EEEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000610079700 469979868 /nfs/dbraw/zinc/97/98/68/469979868.db2.gz ZJYUOQJKLGRKIX-ZDUSSCGKSA-N 1 2 327.306 2.150 20 30 EEEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000610079700 469979871 /nfs/dbraw/zinc/97/98/71/469979871.db2.gz ZJYUOQJKLGRKIX-ZDUSSCGKSA-N 1 2 327.306 2.150 20 30 EEEDLO C=C(C)CS(=O)(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000641645174 470432836 /nfs/dbraw/zinc/43/28/36/470432836.db2.gz BTAHYOXWHNFQSG-UHFFFAOYSA-N 1 2 349.378 2.128 20 30 EEEDLO COCC#CC[N@H+](C)[C@@H](CO)c1cc(OC)ccc1Br ZINC000649948100 470751033 /nfs/dbraw/zinc/75/10/33/470751033.db2.gz XZFZWJZTLJHMLP-HNNXBMFYSA-N 1 2 342.233 2.073 20 30 EEEDLO COCC#CC[N@@H+](C)[C@@H](CO)c1cc(OC)ccc1Br ZINC000649948100 470751037 /nfs/dbraw/zinc/75/10/37/470751037.db2.gz XZFZWJZTLJHMLP-HNNXBMFYSA-N 1 2 342.233 2.073 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nn1 ZINC000640861824 471075685 /nfs/dbraw/zinc/07/56/85/471075685.db2.gz IRIAZZQUZLGIKR-AWEZNQCLSA-N 1 2 336.399 2.359 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(c3ccccc3Cl)C2=O)nn1 ZINC000641039793 471174839 /nfs/dbraw/zinc/17/48/39/471174839.db2.gz QTQJMLFNSMCCAF-MRXNPFEDSA-N 1 2 343.818 2.022 20 30 EEEDLO C=CCNc1ncc(C(=O)NCC[NH+]2Cc3ccccc3C2)s1 ZINC000676339201 486210981 /nfs/dbraw/zinc/21/09/81/486210981.db2.gz XYKFQUFBLWIBAO-UHFFFAOYSA-N 1 2 328.441 2.487 20 30 EEEDLO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1cccc(C#N)c1F ZINC000495371900 534886237 /nfs/dbraw/zinc/88/62/37/534886237.db2.gz LPRQBKZQXBRNHB-UHFFFAOYSA-N 1 2 337.395 2.016 20 30 EEEDLO CC(C)(C)OC(=O)NCC[N@@H+](CCO)Cc1cccc(C#N)c1F ZINC000495371900 534886238 /nfs/dbraw/zinc/88/62/38/534886238.db2.gz LPRQBKZQXBRNHB-UHFFFAOYSA-N 1 2 337.395 2.016 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000174330135 526628383 /nfs/dbraw/zinc/62/83/83/526628383.db2.gz OSRKEOJTAZAKKG-NEPJUHHUSA-N 1 2 330.388 2.087 20 30 EEEDLO C#CCCCCNC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000154929832 526699800 /nfs/dbraw/zinc/69/98/00/526699800.db2.gz FDWMKCDNFMQXSR-UHFFFAOYSA-N 1 2 347.434 2.465 20 30 EEEDLO C=CCOCCCC(=O)N1CCC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC000375874149 526730717 /nfs/dbraw/zinc/73/07/17/526730717.db2.gz KIMVBSOTGKFWBX-UHFFFAOYSA-N 1 2 335.448 2.309 20 30 EEEDLO C=CCOCCCC(=O)N1CCC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC000375874149 526730723 /nfs/dbraw/zinc/73/07/23/526730723.db2.gz KIMVBSOTGKFWBX-UHFFFAOYSA-N 1 2 335.448 2.309 20 30 EEEDLO C=CC1CCN(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CC1 ZINC000111465464 526967023 /nfs/dbraw/zinc/96/70/23/526967023.db2.gz SWPYPRYYTVTILL-OAHLLOKOSA-N 1 2 344.459 2.414 20 30 EEEDLO C#CCC[NH+]1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000725788759 576026900 /nfs/dbraw/zinc/02/69/00/576026900.db2.gz DVKJITPZZIEPHY-UHFFFAOYSA-N 1 2 346.374 2.125 20 30 EEEDLO C=C(Br)CNC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000726244578 576248364 /nfs/dbraw/zinc/24/83/64/576248364.db2.gz IFCCKFLHVRMPJU-UHFFFAOYSA-N 1 2 328.210 2.415 20 30 EEEDLO COC[C@H]1CC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000739923330 576314294 /nfs/dbraw/zinc/31/42/94/576314294.db2.gz VRZUKJYIHSEUMI-QWHCGFSZSA-N 1 2 329.425 2.441 20 30 EEEDLO COC[C@H]1CC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000739923330 576314296 /nfs/dbraw/zinc/31/42/96/576314296.db2.gz VRZUKJYIHSEUMI-QWHCGFSZSA-N 1 2 329.425 2.441 20 30 EEEDLO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732810726 577193550 /nfs/dbraw/zinc/19/35/50/577193550.db2.gz GBXIFZUKQMPGKR-CYBMUJFWSA-N 1 2 329.297 2.292 20 30 EEEDLO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732810726 577193551 /nfs/dbraw/zinc/19/35/51/577193551.db2.gz GBXIFZUKQMPGKR-CYBMUJFWSA-N 1 2 329.297 2.292 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NCCNc1ccc(C#N)cn1 ZINC000772122128 577252808 /nfs/dbraw/zinc/25/28/08/577252808.db2.gz QQLKUIFAHNEZHX-UHFFFAOYSA-N 1 2 348.410 2.230 20 30 EEEDLO CC[C@@H]1COCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000734489194 577302592 /nfs/dbraw/zinc/30/25/92/577302592.db2.gz MCGXQLFMNQIUFE-CABCVRRESA-N 1 2 336.395 2.334 20 30 EEEDLO CC[C@@H]1COCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000734489194 577302594 /nfs/dbraw/zinc/30/25/94/577302594.db2.gz MCGXQLFMNQIUFE-CABCVRRESA-N 1 2 336.395 2.334 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C ZINC000773281931 577329696 /nfs/dbraw/zinc/32/96/96/577329696.db2.gz GBTXTMWJJFYSEJ-INIZCTEOSA-N 1 2 344.365 2.401 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C ZINC000773281931 577329697 /nfs/dbraw/zinc/32/96/97/577329697.db2.gz GBTXTMWJJFYSEJ-INIZCTEOSA-N 1 2 344.365 2.401 20 30 EEEDLO CCCCCCCCNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000774773508 577417448 /nfs/dbraw/zinc/41/74/48/577417448.db2.gz UPMODSQMOYJBFV-UHFFFAOYSA-N 1 2 346.475 2.207 20 30 EEEDLO Cn1c2ccccc2nc1[C@H]([NH2+]CC(=O)NCCC#N)c1ccccc1 ZINC000775763412 577445007 /nfs/dbraw/zinc/44/50/07/577445007.db2.gz WVWRWFWPSCWIJU-LJQANCHMSA-N 1 2 347.422 2.282 20 30 EEEDLO C#C[C@H]([NH2+]Cc1nc(-c2ccc(C)c(OC)c2)no1)[C@@H]1CCCO1 ZINC000775788728 577445691 /nfs/dbraw/zinc/44/56/91/577445691.db2.gz IZNLGHMAYCXDNY-GJZGRUSLSA-N 1 2 327.384 2.324 20 30 EEEDLO COc1cccc([C@H](C#N)NC(=O)c2cccc3[nH+]ccn32)c1OC ZINC000777104356 577473218 /nfs/dbraw/zinc/47/32/18/577473218.db2.gz XVUVJSMSEXLYEV-ZDUSSCGKSA-N 1 2 336.351 2.346 20 30 EEEDLO N#CCn1c(=O)c2ccccc2nc1C[NH+]1CCC(C(F)F)CC1 ZINC000767087125 577530444 /nfs/dbraw/zinc/53/04/44/577530444.db2.gz PPYCFUZPYFQEJN-UHFFFAOYSA-N 1 2 332.354 2.397 20 30 EEEDLO CCC[C@H](C=NNC(=S)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000769566689 577580663 /nfs/dbraw/zinc/58/06/63/577580663.db2.gz HFYBETQJDIWHFI-QGZVFWFLSA-N 1 2 348.516 2.352 20 30 EEEDLO Fc1ccc(-n2cc(CN=Nc3ccc(-n4cc[nH+]c4)nn3)cn2)cc1 ZINC000761837399 577689927 /nfs/dbraw/zinc/68/99/27/577689927.db2.gz FFHHQFVISNUXQI-UHFFFAOYSA-N 1 2 348.345 2.433 20 30 EEEDLO Fc1ccc(-n2cc(C=NNc3ccc(-n4cc[nH+]c4)nn3)cn2)cc1 ZINC000761837399 577689928 /nfs/dbraw/zinc/68/99/28/577689928.db2.gz FFHHQFVISNUXQI-UHFFFAOYSA-N 1 2 348.345 2.433 20 30 EEEDLO CNc1[nH+]c(C)ccc1C(=O)O[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000751648624 577756739 /nfs/dbraw/zinc/75/67/39/577756739.db2.gz ZGUOEZLSCRMAGV-OAHLLOKOSA-N 1 2 339.351 2.375 20 30 EEEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000751666852 577757107 /nfs/dbraw/zinc/75/71/07/577757107.db2.gz JBKNDLUTQYHVIT-ZIAGYGMSSA-N 1 2 347.440 2.143 20 30 EEEDLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000751666852 577757108 /nfs/dbraw/zinc/75/71/08/577757108.db2.gz JBKNDLUTQYHVIT-ZIAGYGMSSA-N 1 2 347.440 2.143 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@H](Nc2[nH+]cnc3[nH]ccc32)[C@@H](C#N)C1 ZINC000754118075 577800752 /nfs/dbraw/zinc/80/07/52/577800752.db2.gz HOTINQUXKIOXPB-JQWIXIFHSA-N 1 2 328.376 2.129 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(C(F)(F)F)ccc2C)CC1 ZINC000754314755 577804409 /nfs/dbraw/zinc/80/44/09/577804409.db2.gz PTMNRJQXFSQQQQ-UHFFFAOYSA-N 1 2 339.361 2.203 20 30 EEEDLO COc1cc(C)[nH+]c(COC(=O)C#Cc2ccc3c(c2)OCO3)c1 ZINC000757719565 577863123 /nfs/dbraw/zinc/86/31/23/577863123.db2.gz BDYXIQOPGYBGQR-UHFFFAOYSA-N 1 2 325.320 2.222 20 30 EEEDLO CON=Cc1ccc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)cc1 ZINC000746321029 577925909 /nfs/dbraw/zinc/92/59/09/577925909.db2.gz ZORXOOKBLDCKHD-UHFFFAOYSA-N 1 2 339.386 2.468 20 30 EEEDLO CON=Cc1ccc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cc1 ZINC000746321029 577925910 /nfs/dbraw/zinc/92/59/10/577925910.db2.gz ZORXOOKBLDCKHD-UHFFFAOYSA-N 1 2 339.386 2.468 20 30 EEEDLO Cc1nc(C[NH+]2CC([C@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)c(C)s1 ZINC000969463947 675059653 /nfs/dbraw/zinc/05/96/53/675059653.db2.gz YIPWLLZGQHJSBZ-JTQLQIEISA-N 1 2 343.456 2.210 20 30 EEEDLO C[C@@H](NC(=O)c1cc[nH]c1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969730857 675177134 /nfs/dbraw/zinc/17/71/34/675177134.db2.gz UHCVJWCCMHGIID-GFCCVEGCSA-N 1 2 326.375 2.276 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC000970586178 676004368 /nfs/dbraw/zinc/00/43/68/676004368.db2.gz KRTFEHBROMJMSM-MRVPVSSYSA-N 1 2 336.745 2.231 20 30 EEEDLO C=C1CC(C)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ncnn2CC)C1 ZINC001021373201 676021554 /nfs/dbraw/zinc/02/15/54/676021554.db2.gz HUVWLTNHNQEQCT-MQVJKMGUSA-N 1 2 343.475 2.266 20 30 EEEDLO C=C1CC(C)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ncnn2CC)C1 ZINC001021373201 676021556 /nfs/dbraw/zinc/02/15/56/676021556.db2.gz HUVWLTNHNQEQCT-MQVJKMGUSA-N 1 2 343.475 2.266 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc3nsnc32)C1 ZINC000970668374 676065062 /nfs/dbraw/zinc/06/50/62/676065062.db2.gz NPWBVGLZTCPOBL-JTQLQIEISA-N 1 2 336.848 2.494 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(OCC)s2)C1 ZINC000969831096 675236145 /nfs/dbraw/zinc/23/61/45/675236145.db2.gz ANNSXKKSMWTOKO-MLGOLLRUSA-N 1 2 338.477 2.230 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccc(-n3ccnc3)n2)C1 ZINC000970013056 675384611 /nfs/dbraw/zinc/38/46/11/675384611.db2.gz POSNQJPPCLJUNQ-CYBMUJFWSA-N 1 2 345.834 2.070 20 30 EEEDLO CC(C)c1cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)n[nH]1 ZINC000970045367 675417687 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C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC000971225360 676448287 /nfs/dbraw/zinc/44/82/87/676448287.db2.gz IWGGMLZXOFNGTA-GFCCVEGCSA-N 1 2 333.457 2.268 20 30 EEEDLO C[N@H+](Cc1coc(C2CC2)n1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971289053 676471980 /nfs/dbraw/zinc/47/19/80/676471980.db2.gz ODRBYCKGYGPURW-HNNXBMFYSA-N 1 2 339.399 2.098 20 30 EEEDLO C[N@@H+](Cc1coc(C2CC2)n1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971289053 676471983 /nfs/dbraw/zinc/47/19/83/676471983.db2.gz ODRBYCKGYGPURW-HNNXBMFYSA-N 1 2 339.399 2.098 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)[C@H]2CCCCO2)C1 ZINC000971354732 676498211 /nfs/dbraw/zinc/49/82/11/676498211.db2.gz JMGKRJULTOWPOQ-ZWKOTPCHSA-N 1 2 345.418 2.299 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)[C@H]2CCCCO2)C1 ZINC000971354732 676498212 /nfs/dbraw/zinc/49/82/12/676498212.db2.gz JMGKRJULTOWPOQ-ZWKOTPCHSA-N 1 2 345.418 2.299 20 30 EEEDLO COc1cc(C#N)ccc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000891636767 676741772 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Cc1cnc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)s1 ZINC001024395160 679888771 /nfs/dbraw/zinc/88/87/71/679888771.db2.gz QSXHVYALJWLGSS-CQSZACIVSA-N 1 2 343.456 2.436 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)C1=CCOCC1 ZINC001024406815 679891502 /nfs/dbraw/zinc/89/15/02/679891502.db2.gz GSULZSRLZNMJSC-AWEZNQCLSA-N 1 2 343.265 2.212 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)C1=CCOCC1 ZINC001024406815 679891504 /nfs/dbraw/zinc/89/15/04/679891504.db2.gz GSULZSRLZNMJSC-AWEZNQCLSA-N 1 2 343.265 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2ncncc2C1 ZINC001024479119 679952271 /nfs/dbraw/zinc/95/22/71/679952271.db2.gz ZTGCCIPCERTPQI-HOCLYGCPSA-N 1 2 348.878 2.305 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2ncncc2C1 ZINC001024479119 679952274 /nfs/dbraw/zinc/95/22/74/679952274.db2.gz ZTGCCIPCERTPQI-HOCLYGCPSA-N 1 2 348.878 2.305 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001059052447 681303969 /nfs/dbraw/zinc/30/39/69/681303969.db2.gz JMSGCNZIIHXUOH-IFXJQAMLSA-N 1 2 343.475 2.080 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001059052447 681303973 /nfs/dbraw/zinc/30/39/73/681303973.db2.gz JMSGCNZIIHXUOH-IFXJQAMLSA-N 1 2 343.475 2.080 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1nc(C)c(C)o1 ZINC001024660474 681323869 /nfs/dbraw/zinc/32/38/69/681323869.db2.gz PBVIMRUQTLRVRE-ZACQAIPSSA-N 1 2 347.459 2.353 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc(C)c(C)o1 ZINC001024660474 681323872 /nfs/dbraw/zinc/32/38/72/681323872.db2.gz PBVIMRUQTLRVRE-ZACQAIPSSA-N 1 2 347.459 2.353 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1coc(C)n1 ZINC001024701796 681361529 /nfs/dbraw/zinc/36/15/29/681361529.db2.gz KHUDSTAARCBHST-SQNIBIBYSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1coc(C)n1 ZINC001024701796 681361531 /nfs/dbraw/zinc/36/15/31/681361531.db2.gz KHUDSTAARCBHST-SQNIBIBYSA-N 1 2 347.459 2.435 20 30 EEEDLO Cc1nonc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001024824054 681473313 /nfs/dbraw/zinc/47/33/13/681473313.db2.gz JIQMUQHMOMNTSO-GFCCVEGCSA-N 1 2 345.428 2.096 20 30 EEEDLO Cc1nonc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC001024824054 681473316 /nfs/dbraw/zinc/47/33/16/681473316.db2.gz JIQMUQHMOMNTSO-GFCCVEGCSA-N 1 2 345.428 2.096 20 30 EEEDLO Cc1nc(N[C@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)ccc1C#N ZINC001059081253 681728982 /nfs/dbraw/zinc/72/89/82/681728982.db2.gz ZIIANIDLEZRSKX-CJNGLKHVSA-N 1 2 338.415 2.122 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC000983708197 683148412 /nfs/dbraw/zinc/14/84/12/683148412.db2.gz PQDZJFWCOSMGCP-CVEARBPZSA-N 1 2 344.459 2.242 20 30 EEEDLO C=CCN1CCC([NH2+]Cc2ncc(Br)cc2O)CC1 ZINC000892880805 683162566 /nfs/dbraw/zinc/16/25/66/683162566.db2.gz KDFGCMPWCYEOTO-UHFFFAOYSA-N 1 2 326.238 2.290 20 30 EEEDLO CC[C@H](OC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029236542 683652151 /nfs/dbraw/zinc/65/21/51/683652151.db2.gz VWZNJIBFPUDKAT-OTWHNJEPSA-N 1 2 326.440 2.138 20 30 EEEDLO CC[C@H](OC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029236542 683652153 /nfs/dbraw/zinc/65/21/53/683652153.db2.gz VWZNJIBFPUDKAT-OTWHNJEPSA-N 1 2 326.440 2.138 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)C(F)F)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000992941610 683673078 /nfs/dbraw/zinc/67/30/78/683673078.db2.gz FEWPCCGVQWGYGC-HZMBPMFUSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)C(F)F)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000992941610 683673079 /nfs/dbraw/zinc/67/30/79/683673079.db2.gz FEWPCCGVQWGYGC-HZMBPMFUSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)C(F)F)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000992943578 683673765 /nfs/dbraw/zinc/67/37/65/683673765.db2.gz GUJBVRZUNMIZQY-HZMBPMFUSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)C(F)F)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000992943578 683673770 /nfs/dbraw/zinc/67/37/70/683673770.db2.gz GUJBVRZUNMIZQY-HZMBPMFUSA-N 1 2 325.334 2.432 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001026101780 683848518 /nfs/dbraw/zinc/84/85/18/683848518.db2.gz GLIXXDHWGNGZSH-DPFVFZHXSA-N 1 2 345.270 2.333 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001026101780 683848524 /nfs/dbraw/zinc/84/85/24/683848524.db2.gz GLIXXDHWGNGZSH-DPFVFZHXSA-N 1 2 345.270 2.333 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3nccs3)C2)cn1 ZINC001027656119 693811460 /nfs/dbraw/zinc/81/14/60/693811460.db2.gz KSMIHMGJUHEMBP-MRXNPFEDSA-N 1 2 340.452 2.256 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3nccs3)C2)cn1 ZINC001027656119 693811466 /nfs/dbraw/zinc/81/14/66/693811466.db2.gz KSMIHMGJUHEMBP-MRXNPFEDSA-N 1 2 340.452 2.256 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)Cc3cscn3)C2)nc1 ZINC001027656516 693814509 /nfs/dbraw/zinc/81/45/09/693814509.db2.gz RXVZDZWUIGWBNB-INIZCTEOSA-N 1 2 340.452 2.256 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3cscn3)C2)nc1 ZINC001027656516 693814514 /nfs/dbraw/zinc/81/45/14/693814514.db2.gz RXVZDZWUIGWBNB-INIZCTEOSA-N 1 2 340.452 2.256 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cncc3[nH]cnc32)C(C)(C)C1 ZINC000974621875 685137566 /nfs/dbraw/zinc/13/75/66/685137566.db2.gz PMSMIHMTOSOAIA-ZDUSSCGKSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cncc3[nH]cnc32)C(C)(C)C1 ZINC000974621875 685137568 /nfs/dbraw/zinc/13/75/68/685137568.db2.gz PMSMIHMTOSOAIA-ZDUSSCGKSA-N 1 2 333.823 2.151 20 30 EEEDLO N#Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)cc1 ZINC001026855435 685190928 /nfs/dbraw/zinc/19/09/28/685190928.db2.gz HFYVGRHGFCGRMG-ZIAGYGMSSA-N 1 2 343.324 2.397 20 30 EEEDLO N#Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)cc1 ZINC001026855435 685190931 /nfs/dbraw/zinc/19/09/31/685190931.db2.gz HFYVGRHGFCGRMG-ZIAGYGMSSA-N 1 2 343.324 2.397 20 30 EEEDLO Cc1nocc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2C#N)CC1(C)C ZINC000975010530 686044667 /nfs/dbraw/zinc/04/46/67/686044667.db2.gz UOSRPKDYFXZQJN-KRWDZBQOSA-N 1 2 338.411 2.495 20 30 EEEDLO Cc1nocc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2C#N)CC1(C)C ZINC000975010530 686044669 /nfs/dbraw/zinc/04/46/69/686044669.db2.gz UOSRPKDYFXZQJN-KRWDZBQOSA-N 1 2 338.411 2.495 20 30 EEEDLO C[C@H](c1csnn1)[N@H+](C)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000985368943 686427363 /nfs/dbraw/zinc/42/73/63/686427363.db2.gz XNUXOSBPNDHTTI-LLVKDONJSA-N 1 2 344.444 2.035 20 30 EEEDLO C[C@H](c1csnn1)[N@@H+](C)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000985368943 686427364 /nfs/dbraw/zinc/42/73/64/686427364.db2.gz XNUXOSBPNDHTTI-LLVKDONJSA-N 1 2 344.444 2.035 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2CC)CC1 ZINC000985409025 686575654 /nfs/dbraw/zinc/57/56/54/686575654.db2.gz AMRPOTUDGASBMY-DLBZAZTESA-N 1 2 344.459 2.194 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([NH2+]Cc2nnc(CC)o2)[C@H]1C ZINC000986363953 688534534 /nfs/dbraw/zinc/53/45/34/688534534.db2.gz LFUGALOJRNWMIJ-KGLIPLIRSA-N 1 2 343.431 2.012 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001059717932 688587422 /nfs/dbraw/zinc/58/74/22/688587422.db2.gz JEEOYMZKUGOAQP-LSDHHAIUSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001059717932 688587427 /nfs/dbraw/zinc/58/74/27/688587427.db2.gz JEEOYMZKUGOAQP-LSDHHAIUSA-N 1 2 346.475 2.155 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nc(COC)no3)[C@@H]2C)CC1 ZINC000986854905 688977864 /nfs/dbraw/zinc/97/78/64/688977864.db2.gz OJFJCAFIRJIKSJ-ZFWWWQNUSA-N 1 2 348.447 2.041 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059745631 688985798 /nfs/dbraw/zinc/98/57/98/688985798.db2.gz DOWVPVHDQJECLA-HNNXBMFYSA-N 1 2 332.448 2.053 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)Cc3ccc[nH]3)CC2)c1 ZINC000989703533 692193264 /nfs/dbraw/zinc/19/32/64/692193264.db2.gz DGGOYWPMSNCMDJ-UHFFFAOYSA-N 1 2 340.402 2.302 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)Cc3ccc[nH]3)CC2)c1 ZINC000989703533 692193267 /nfs/dbraw/zinc/19/32/67/692193267.db2.gz DGGOYWPMSNCMDJ-UHFFFAOYSA-N 1 2 340.402 2.302 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ncc(C)o2)CC1(C)C ZINC000977323275 692486875 /nfs/dbraw/zinc/48/68/75/692486875.db2.gz FQZFQOVUSBWANM-UXLLHSPISA-N 1 2 347.459 2.291 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)o2)CC1(C)C ZINC000977323275 692486876 /nfs/dbraw/zinc/48/68/76/692486876.db2.gz FQZFQOVUSBWANM-UXLLHSPISA-N 1 2 347.459 2.291 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)[C@@H](C)c2nncn2C)C1 ZINC001027519030 692604002 /nfs/dbraw/zinc/60/40/02/692604002.db2.gz CYHMFWOTLNBELP-GJZGRUSLSA-N 1 2 333.480 2.401 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)[C@@H](C)c2nncn2C)C1 ZINC001027519030 692604005 /nfs/dbraw/zinc/60/40/05/692604005.db2.gz CYHMFWOTLNBELP-GJZGRUSLSA-N 1 2 333.480 2.401 20 30 EEEDLO C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C(C)(C)C1 ZINC000977421756 692612550 /nfs/dbraw/zinc/61/25/50/692612550.db2.gz OXJCHGICPCGKKI-HNNXBMFYSA-N 1 2 325.416 2.098 20 30 EEEDLO C=CC[N@H+]1C[C@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C(C)(C)C1 ZINC000977421756 692612553 /nfs/dbraw/zinc/61/25/53/692612553.db2.gz OXJCHGICPCGKKI-HNNXBMFYSA-N 1 2 325.416 2.098 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2c3c(nn2C)CCC3)C(C)(C)C1 ZINC000977454574 692641121 /nfs/dbraw/zinc/64/11/21/692641121.db2.gz CNGIFQVRQZEKGS-AWEZNQCLSA-N 1 2 336.867 2.102 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2c3c(nn2C)CCC3)C(C)(C)C1 ZINC000977454574 692641123 /nfs/dbraw/zinc/64/11/23/692641123.db2.gz CNGIFQVRQZEKGS-AWEZNQCLSA-N 1 2 336.867 2.102 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(=O)ccoc3c2)C(C)(C)C1 ZINC000977460372 692657331 /nfs/dbraw/zinc/65/73/31/692657331.db2.gz IFANTRADOBVKNK-GOSISDBHSA-N 1 2 338.407 2.257 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c(=O)ccoc3c2)C(C)(C)C1 ZINC000977460372 692657333 /nfs/dbraw/zinc/65/73/33/692657333.db2.gz IFANTRADOBVKNK-GOSISDBHSA-N 1 2 338.407 2.257 20 30 EEEDLO Cc1cc(C[N@@H+]2CC[C@@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@@H]23)no1 ZINC000990264049 692791206 /nfs/dbraw/zinc/79/12/06/692791206.db2.gz DWVBINQLORTLDI-AEFFLSMTSA-N 1 2 339.399 2.110 20 30 EEEDLO Cc1cc(C[N@H+]2CC[C@@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@@H]23)no1 ZINC000990264049 692791210 /nfs/dbraw/zinc/79/12/10/692791210.db2.gz DWVBINQLORTLDI-AEFFLSMTSA-N 1 2 339.399 2.110 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC001027540888 692796591 /nfs/dbraw/zinc/79/65/91/692796591.db2.gz FGZWHHUTMGRDCJ-ZDUSSCGKSA-N 1 2 342.237 2.049 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC001027540888 692796594 /nfs/dbraw/zinc/79/65/94/692796594.db2.gz FGZWHHUTMGRDCJ-ZDUSSCGKSA-N 1 2 342.237 2.049 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2cn3ccccc3n2)C1 ZINC001485509458 1191820293 /nfs/dbraw/zinc/82/02/93/1191820293.db2.gz CDMRZAIFEWZWKY-CYBMUJFWSA-N 1 2 332.835 2.066 20 30 EEEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)ccn1 ZINC001032063890 1192050787 /nfs/dbraw/zinc/05/07/87/1192050787.db2.gz VGEQAEHYQWAPMO-UHFFFAOYSA-N 1 2 338.386 2.263 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2nccs2)[C@@H](C)C1 ZINC000943755877 1192533000 /nfs/dbraw/zinc/53/30/00/1192533000.db2.gz ITNTVIMNCULFAS-GXSJLCMTSA-N 1 2 344.278 2.492 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2nccs2)[C@@H](C)C1 ZINC000943755877 1192533004 /nfs/dbraw/zinc/53/30/04/1192533004.db2.gz ITNTVIMNCULFAS-GXSJLCMTSA-N 1 2 344.278 2.492 20 30 EEEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3cc(F)ccc3F)C2)nc1 ZINC001032135171 1192765433 /nfs/dbraw/zinc/76/54/33/1192765433.db2.gz LIOXPPJHVHBCRB-UHFFFAOYSA-N 1 2 341.361 2.203 20 30 EEEDLO Cc1cc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c(C)n1C ZINC001032176519 1192817640 /nfs/dbraw/zinc/81/76/40/1192817640.db2.gz JHWGWQFLODYHSY-UHFFFAOYSA-N 1 2 335.451 2.355 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000944183205 1192935608 /nfs/dbraw/zinc/93/56/08/1192935608.db2.gz IUOLRNAFJAKRJZ-ZIAGYGMSSA-N 1 2 344.459 2.149 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](C)NC(=O)c1cccs1 ZINC001480990784 1179439536 /nfs/dbraw/zinc/43/95/36/1179439536.db2.gz DEBJCENTVYHWOC-GFCCVEGCSA-N 1 2 343.880 2.057 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](C)NC(=O)c1cccs1 ZINC001480990784 1179439537 /nfs/dbraw/zinc/43/95/37/1179439537.db2.gz DEBJCENTVYHWOC-GFCCVEGCSA-N 1 2 343.880 2.057 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ccnc(OC)n2)C1 ZINC001481403056 1181224111 /nfs/dbraw/zinc/22/41/11/1181224111.db2.gz KPENAZKHFNEAJE-ZDUSSCGKSA-N 1 2 338.839 2.164 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccnc(OC)n2)C1 ZINC001481403056 1181224119 /nfs/dbraw/zinc/22/41/19/1181224119.db2.gz KPENAZKHFNEAJE-ZDUSSCGKSA-N 1 2 338.839 2.164 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC1C[NH+](Cc2sccc2Br)C1 ZINC001481617342 1181892241 /nfs/dbraw/zinc/89/22/41/1181892241.db2.gz FGZNUQUPOSZEBU-VIFPVBQESA-N 1 2 342.262 2.218 20 30 EEEDLO C[C@@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2nc(C3CCCC3)no2)C(C)(C)C1 ZINC000995584191 1193163886 /nfs/dbraw/zinc/16/38/86/1193163886.db2.gz STFNHIJAFMTBKG-JSGCOSHPSA-N 1 2 345.447 2.213 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)on1 ZINC001088464122 1186956813 /nfs/dbraw/zinc/95/68/13/1186956813.db2.gz HILSJCNVCLAJPF-WBMJQRKESA-N 1 2 342.374 2.387 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)on1 ZINC001088464122 1186956815 /nfs/dbraw/zinc/95/68/15/1186956815.db2.gz HILSJCNVCLAJPF-WBMJQRKESA-N 1 2 342.374 2.387 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1CC=C(Cl)Cl ZINC001088511332 1187111745 /nfs/dbraw/zinc/11/17/45/1187111745.db2.gz JNPKPCYHXPVUTO-KOLCDFICSA-N 1 2 327.215 2.398 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CC=C(Cl)Cl ZINC001088511332 1187111747 /nfs/dbraw/zinc/11/17/47/1187111747.db2.gz JNPKPCYHXPVUTO-KOLCDFICSA-N 1 2 327.215 2.398 20 30 EEEDLO Cn1cc[nH+]c1CCC(=O)N1CCCC[C@@H]1C1(CNCC#N)CCC1 ZINC001105551551 1188167145 /nfs/dbraw/zinc/16/71/45/1188167145.db2.gz FXSDEZARBIZMEA-MRXNPFEDSA-N 1 2 343.475 2.017 20 30 EEEDLO COc1cc(C[NH+]2CCOCC2)ccc1NC(=N)c1nccs1 ZINC001168283506 1188201122 /nfs/dbraw/zinc/20/11/22/1188201122.db2.gz DNFKVPVZCRVHCI-UHFFFAOYSA-N 1 2 332.429 2.021 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4O3)[C@@H]2C1 ZINC001076010016 1188658734 /nfs/dbraw/zinc/65/87/34/1188658734.db2.gz HFPQUWPNNPDDIZ-ZMSDIMECSA-N 1 2 332.831 2.275 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4O3)[C@@H]2C1 ZINC001076010016 1188658735 /nfs/dbraw/zinc/65/87/35/1188658735.db2.gz HFPQUWPNNPDDIZ-ZMSDIMECSA-N 1 2 332.831 2.275 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4nnc(C)o4)C[C@H]32)CC1 ZINC001076208954 1188783193 /nfs/dbraw/zinc/78/31/93/1188783193.db2.gz RZCGNITYXRYTGO-JKSUJKDBSA-N 1 2 330.432 2.157 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4nnc(C)o4)C[C@H]32)CC1 ZINC001076208954 1188783195 /nfs/dbraw/zinc/78/31/95/1188783195.db2.gz RZCGNITYXRYTGO-JKSUJKDBSA-N 1 2 330.432 2.157 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001076667242 1189091965 /nfs/dbraw/zinc/09/19/65/1189091965.db2.gz MTHYJBXNVMYVEU-HNNXBMFYSA-N 1 2 332.448 2.053 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001076691402 1189111734 /nfs/dbraw/zinc/11/17/34/1189111734.db2.gz XEUHVRPWIZPEDY-LSDHHAIUSA-N 1 2 346.475 2.059 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)cc3c2OCOC3)C1=O ZINC001272481673 1190844742 /nfs/dbraw/zinc/84/47/42/1190844742.db2.gz GBLXPVRKCZKZIP-IBGZPJMESA-N 1 2 346.402 2.445 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)cc3c2OCOC3)C1=O ZINC001272481673 1190844745 /nfs/dbraw/zinc/84/47/45/1190844745.db2.gz GBLXPVRKCZKZIP-IBGZPJMESA-N 1 2 346.402 2.445 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)COCC2CC2)CC1 ZINC001483961592 1191132375 /nfs/dbraw/zinc/13/23/75/1191132375.db2.gz QHGKUXYKXBKOJA-UHFFFAOYSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)Cn2nc(C)c3cccnc32)C1 ZINC001484053389 1191177654 /nfs/dbraw/zinc/17/76/54/1191177654.db2.gz BZJWPWHAFNICKQ-KRWDZBQOSA-N 1 2 347.850 2.073 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)Cn2nc(C)c3cccnc32)C1 ZINC001484053389 1191177655 /nfs/dbraw/zinc/17/76/55/1191177655.db2.gz BZJWPWHAFNICKQ-KRWDZBQOSA-N 1 2 347.850 2.073 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001033515347 1194655294 /nfs/dbraw/zinc/65/52/94/1194655294.db2.gz VJCIVWZKNLUTEK-AWEZNQCLSA-N 1 2 345.834 2.371 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001033515347 1194655296 /nfs/dbraw/zinc/65/52/96/1194655296.db2.gz VJCIVWZKNLUTEK-AWEZNQCLSA-N 1 2 345.834 2.371 20 30 EEEDLO Cc1ncc(C(=O)N(C)C2CC[NH+](CC#Cc3ccccc3)CC2)[nH]1 ZINC001005187793 1194679118 /nfs/dbraw/zinc/67/91/18/1194679118.db2.gz NIKXKEMQQUBEME-UHFFFAOYSA-N 1 2 336.439 2.306 20 30 EEEDLO CN(C(=O)c1nccs1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033522654 1194689950 /nfs/dbraw/zinc/68/99/50/1194689950.db2.gz RZLBNVLRZKDSBS-OAHLLOKOSA-N 1 2 326.425 2.361 20 30 EEEDLO CN(C(=O)c1nccs1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033522654 1194689953 /nfs/dbraw/zinc/68/99/53/1194689953.db2.gz RZLBNVLRZKDSBS-OAHLLOKOSA-N 1 2 326.425 2.361 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2csc(COC)n2)C1 ZINC001033567173 1194719428 /nfs/dbraw/zinc/71/94/28/1194719428.db2.gz WPIBZFVISGACJR-ZDUSSCGKSA-N 1 2 343.880 2.117 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2csc(COC)n2)C1 ZINC001033567173 1194719432 /nfs/dbraw/zinc/71/94/32/1194719432.db2.gz WPIBZFVISGACJR-ZDUSSCGKSA-N 1 2 343.880 2.117 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001033604439 1194942722 /nfs/dbraw/zinc/94/27/22/1194942722.db2.gz DDPGIBKGWKGRFZ-GFCCVEGCSA-N 1 2 346.818 2.234 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001033604439 1194942725 /nfs/dbraw/zinc/94/27/25/1194942725.db2.gz DDPGIBKGWKGRFZ-GFCCVEGCSA-N 1 2 346.818 2.234 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)C2CCOCC2)C1 ZINC001033724781 1195134624 /nfs/dbraw/zinc/13/46/24/1195134624.db2.gz BCOZFFSIKGFOMC-CQSZACIVSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCOCC2)C1 ZINC001033724781 1195134627 /nfs/dbraw/zinc/13/46/27/1195134627.db2.gz BCOZFFSIKGFOMC-CQSZACIVSA-N 1 2 345.281 2.244 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001033801835 1195302990 /nfs/dbraw/zinc/30/29/90/1195302990.db2.gz LGOIVRDREQPAHX-OAHLLOKOSA-N 1 2 343.456 2.388 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001033801835 1195302996 /nfs/dbraw/zinc/30/29/96/1195302996.db2.gz LGOIVRDREQPAHX-OAHLLOKOSA-N 1 2 343.456 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccnc(N(C)C)c2)C1 ZINC001033977851 1195586857 /nfs/dbraw/zinc/58/68/57/1195586857.db2.gz UCLJFOAVTKVYEO-OAHLLOKOSA-N 1 2 336.867 2.437 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccnc(N(C)C)c2)C1 ZINC001033977851 1195586860 /nfs/dbraw/zinc/58/68/60/1195586860.db2.gz UCLJFOAVTKVYEO-OAHLLOKOSA-N 1 2 336.867 2.437 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2nnn(C(C)C)c2C)C1 ZINC001034001130 1195623274 /nfs/dbraw/zinc/62/32/74/1195623274.db2.gz JGYHCLGIAIXFNM-CQSZACIVSA-N 1 2 339.871 2.456 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2nnn(C(C)C)c2C)C1 ZINC001034001130 1195623276 /nfs/dbraw/zinc/62/32/76/1195623276.db2.gz JGYHCLGIAIXFNM-CQSZACIVSA-N 1 2 339.871 2.456 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)C(F)F)C2)ccc1F ZINC001034062265 1195714916 /nfs/dbraw/zinc/71/49/16/1195714916.db2.gz GPEUESDQSZFMGC-CYBMUJFWSA-N 1 2 325.334 2.433 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C(F)F)C2)ccc1F ZINC001034062265 1195714920 /nfs/dbraw/zinc/71/49/20/1195714920.db2.gz GPEUESDQSZFMGC-CYBMUJFWSA-N 1 2 325.334 2.433 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccc3n[nH]nc32)C1 ZINC001034223599 1195976501 /nfs/dbraw/zinc/97/65/01/1195976501.db2.gz PXYFLUJZXFDENW-GFCCVEGCSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cccc3n[nH]nc32)C1 ZINC001034223599 1195976504 /nfs/dbraw/zinc/97/65/04/1195976504.db2.gz PXYFLUJZXFDENW-GFCCVEGCSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc3ncccn3n2)C1 ZINC001034459968 1196261577 /nfs/dbraw/zinc/26/15/77/1196261577.db2.gz VXFNQXCXMRJHEC-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc3ncccn3n2)C1 ZINC001034459968 1196261578 /nfs/dbraw/zinc/26/15/78/1196261578.db2.gz VXFNQXCXMRJHEC-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(C)CCC(=O)N(C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001078978644 1196596312 /nfs/dbraw/zinc/59/63/12/1196596312.db2.gz WPUQWASNMYBSJE-INIZCTEOSA-N 1 2 332.448 2.148 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cncc3sccc32)C1 ZINC001108157553 1196709380 /nfs/dbraw/zinc/70/93/80/1196709380.db2.gz ZIACTCXCYNRACK-KRWDZBQOSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cncc3sccc32)C1 ZINC001108157553 1196709382 /nfs/dbraw/zinc/70/93/82/1196709382.db2.gz ZIACTCXCYNRACK-KRWDZBQOSA-N 1 2 331.441 2.303 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](c2ccncc2)C(C)C)C1 ZINC001108160873 1196739927 /nfs/dbraw/zinc/73/99/27/1196739927.db2.gz WAGISKREDBPHEM-AZUAARDMSA-N 1 2 343.471 2.052 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](c2ccncc2)C(C)C)C1 ZINC001108160873 1196739929 /nfs/dbraw/zinc/73/99/29/1196739929.db2.gz WAGISKREDBPHEM-AZUAARDMSA-N 1 2 343.471 2.052 20 30 EEEDLO CC(=O)[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(C)c(C#N)c2)C1=O ZINC001273214416 1197561780 /nfs/dbraw/zinc/56/17/80/1197561780.db2.gz WVPJHDGUALKKDF-MGPUTAFESA-N 1 2 339.439 2.411 20 30 EEEDLO CC(=O)[C@H](C)N1CC[C@]2(CCC[N@H+]2Cc2ccc(C)c(C#N)c2)C1=O ZINC001273214416 1197561782 /nfs/dbraw/zinc/56/17/82/1197561782.db2.gz WVPJHDGUALKKDF-MGPUTAFESA-N 1 2 339.439 2.411 20 30 EEEDLO N#CCCCN1CC2(C[NH+](Cc3ccccc3C3CC3)C2)OCC1=O ZINC001273239484 1197646422 /nfs/dbraw/zinc/64/64/22/1197646422.db2.gz MRGJPRTXOYSYOT-UHFFFAOYSA-N 1 2 339.439 2.281 20 30 EEEDLO C=CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3csc(Cl)n3)C2)C1=O ZINC001273272089 1197934502 /nfs/dbraw/zinc/93/45/02/1197934502.db2.gz WRAKUVGZMCTBTP-OAHLLOKOSA-N 1 2 339.848 2.324 20 30 EEEDLO C=CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3csc(Cl)n3)C2)C1=O ZINC001273272089 1197934509 /nfs/dbraw/zinc/93/45/09/1197934509.db2.gz WRAKUVGZMCTBTP-OAHLLOKOSA-N 1 2 339.848 2.324 20 30 EEEDLO C(=NOCc1cccnc1)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872359553 1198156852 /nfs/dbraw/zinc/15/68/52/1198156852.db2.gz IRNHUJPABHEZCP-UHFFFAOYSA-N 1 2 341.411 2.343 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)c3ccsn3)C2)c1 ZINC001014875885 1224477938 /nfs/dbraw/zinc/47/79/38/1224477938.db2.gz UKZIFXDOEAZUSO-CYBMUJFWSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)c3ccsn3)C2)c1 ZINC001014875885 1224477943 /nfs/dbraw/zinc/47/79/43/1224477943.db2.gz UKZIFXDOEAZUSO-CYBMUJFWSA-N 1 2 330.388 2.158 20 30 EEEDLO CC(C)CN1CC2(C[NH+](CCCc3cccc(C#N)c3)C2)OCC1=O ZINC001273439070 1198922353 /nfs/dbraw/zinc/92/23/53/1198922353.db2.gz CFGRNMWAWIORGS-UHFFFAOYSA-N 1 2 341.455 2.060 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)ccc1OC ZINC001018254223 1224530201 /nfs/dbraw/zinc/53/02/01/1224530201.db2.gz TYIGZSVWGYKBBH-GASCZTMLSA-N 1 2 328.412 2.016 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)ccc1OC ZINC001018254223 1224530209 /nfs/dbraw/zinc/53/02/09/1224530209.db2.gz TYIGZSVWGYKBBH-GASCZTMLSA-N 1 2 328.412 2.016 20 30 EEEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000875328090 1199211636 /nfs/dbraw/zinc/21/16/36/1199211636.db2.gz IIHAUJBGEPHRAE-RHSMWYFYSA-N 1 2 330.432 2.029 20 30 EEEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000875328090 1199211639 /nfs/dbraw/zinc/21/16/39/1199211639.db2.gz IIHAUJBGEPHRAE-RHSMWYFYSA-N 1 2 330.432 2.029 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCC(=O)NCCC)CC[C@@H]1C ZINC001132444843 1199731934 /nfs/dbraw/zinc/73/19/34/1199731934.db2.gz HMFQFYGATJRWCI-GJZGRUSLSA-N 1 2 343.899 2.405 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCC(=O)NCCC)CC[C@@H]1C ZINC001132444843 1199731938 /nfs/dbraw/zinc/73/19/38/1199731938.db2.gz HMFQFYGATJRWCI-GJZGRUSLSA-N 1 2 343.899 2.405 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cncc(F)c2)C1 ZINC001132529431 1199826359 /nfs/dbraw/zinc/82/63/59/1199826359.db2.gz MPCYKEVUVVOVBN-WMLDXEAASA-N 1 2 335.423 2.283 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cncc(F)c2)C1 ZINC001132529431 1199826364 /nfs/dbraw/zinc/82/63/64/1199826364.db2.gz MPCYKEVUVVOVBN-WMLDXEAASA-N 1 2 335.423 2.283 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)cn2)C1 ZINC001132530344 1199827564 /nfs/dbraw/zinc/82/75/64/1199827564.db2.gz XBSJFTMUYLBJFZ-YOEHRIQHSA-N 1 2 335.423 2.283 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cn2)C1 ZINC001132530344 1199827568 /nfs/dbraw/zinc/82/75/68/1199827568.db2.gz XBSJFTMUYLBJFZ-YOEHRIQHSA-N 1 2 335.423 2.283 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccn4nccc34)CC2)cc1 ZINC000877895431 1200150824 /nfs/dbraw/zinc/15/08/24/1200150824.db2.gz DQDFVQMBKFCRFE-UHFFFAOYSA-N 1 2 345.406 2.164 20 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1224640148 /nfs/dbraw/zinc/64/01/48/1224640148.db2.gz JGVWURHLZQVTDG-KRWDZBQOSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1ncn(-c2ccccc2NC(=O)c2cccc3[nH+]ccn32)n1 ZINC000813261214 1201190258 /nfs/dbraw/zinc/19/02/58/1201190258.db2.gz HUZIRVWMWXXBSG-UHFFFAOYSA-N 1 2 329.323 2.039 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000884613298 1202341508 /nfs/dbraw/zinc/34/15/08/1202341508.db2.gz IXCJWYYSVHNQTM-ZDUSSCGKSA-N 1 2 328.384 2.192 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000884613298 1202341510 /nfs/dbraw/zinc/34/15/10/1202341510.db2.gz IXCJWYYSVHNQTM-ZDUSSCGKSA-N 1 2 328.384 2.192 20 30 EEEDLO COCCOC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(Cl)cc1C#N ZINC001275525851 1205396088 /nfs/dbraw/zinc/39/60/88/1205396088.db2.gz YGJSVUWNPJFYRZ-ROUUACIJSA-N 1 2 349.862 2.481 20 30 EEEDLO COCCOC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(Cl)cc1C#N ZINC001275525851 1205396090 /nfs/dbraw/zinc/39/60/90/1205396090.db2.gz YGJSVUWNPJFYRZ-ROUUACIJSA-N 1 2 349.862 2.481 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(Cc4ccc(C#N)s4)C3)C2)cc1C#N ZINC001275589689 1205433212 /nfs/dbraw/zinc/43/32/12/1205433212.db2.gz YEHOPMBHDBPJEI-UHFFFAOYSA-N 1 2 337.452 2.148 20 30 EEEDLO CCc1cccc(C[NH+]2CC3(CCN3Cc3cc(C#N)n(C)c3)C2)n1 ZINC001276187990 1205825211 /nfs/dbraw/zinc/82/52/11/1205825211.db2.gz UVEDHZYQOMFSHN-UHFFFAOYSA-N 1 2 335.455 2.314 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCC ZINC001110888556 1205956174 /nfs/dbraw/zinc/95/61/74/1205956174.db2.gz JOXOSYHOVBXATG-OAGGEKHMSA-N 1 2 335.492 2.227 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCC ZINC001110888556 1205956176 /nfs/dbraw/zinc/95/61/76/1205956176.db2.gz JOXOSYHOVBXATG-OAGGEKHMSA-N 1 2 335.492 2.227 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C)C1 ZINC001015212825 1224923551 /nfs/dbraw/zinc/92/35/51/1224923551.db2.gz JBKDBIPUTQSJRS-HUUCEWRRSA-N 1 2 344.459 2.113 20 30 EEEDLO COc1cc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)on1 ZINC000926277310 1206210322 /nfs/dbraw/zinc/21/03/22/1206210322.db2.gz ZIFUBRUEMINRRQ-SWLSCSKDSA-N 1 2 340.383 2.007 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OC)nn1 ZINC001110933261 1206314554 /nfs/dbraw/zinc/31/45/54/1206314554.db2.gz HXHWILYKXAQTMX-DZUCGIPZSA-N 1 2 344.459 2.309 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(OC)nn1 ZINC001110933261 1206314555 /nfs/dbraw/zinc/31/45/55/1206314555.db2.gz HXHWILYKXAQTMX-DZUCGIPZSA-N 1 2 344.459 2.309 20 30 EEEDLO C[C@@H](C(=O)N1CCC[C@@H](C#N)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000928224618 1206361389 /nfs/dbraw/zinc/36/13/89/1206361389.db2.gz NXMFLPBVXUCELC-HOTGVXAUSA-N 1 2 344.434 2.098 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)CC2)cc1 ZINC000929362828 1206468476 /nfs/dbraw/zinc/46/84/76/1206468476.db2.gz KKKGLXABNACZIM-AJRUKDSQSA-N 1 2 335.451 2.495 20 30 EEEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C(C)C ZINC001110985337 1206545289 /nfs/dbraw/zinc/54/52/89/1206545289.db2.gz VYZJOSJTKIZRLG-AKHDSKFASA-N 1 2 341.455 2.451 20 30 EEEDLO CO[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C(C)C ZINC001110985337 1206545290 /nfs/dbraw/zinc/54/52/90/1206545290.db2.gz VYZJOSJTKIZRLG-AKHDSKFASA-N 1 2 341.455 2.451 20 30 EEEDLO CC(C)Oc1ccc(NC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1C#N ZINC000930476651 1206561106 /nfs/dbraw/zinc/56/11/06/1206561106.db2.gz ROBZXPBDCLFUGS-AWEZNQCLSA-N 1 2 346.431 2.188 20 30 EEEDLO CC(C)Oc1ccc(NC(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1C#N ZINC000930476651 1206561108 /nfs/dbraw/zinc/56/11/08/1206561108.db2.gz ROBZXPBDCLFUGS-AWEZNQCLSA-N 1 2 346.431 2.188 20 30 EEEDLO COc1cc(C#N)ccc1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000933707673 1207821028 /nfs/dbraw/zinc/82/10/28/1207821028.db2.gz UZNXXIMFVNTSOB-UHFFFAOYSA-N 1 2 337.370 2.368 20 30 EEEDLO COc1cc(C#N)ccc1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000933707673 1207821033 /nfs/dbraw/zinc/82/10/33/1207821033.db2.gz UZNXXIMFVNTSOB-UHFFFAOYSA-N 1 2 337.370 2.368 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H](C)[C@@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001111251829 1208456739 /nfs/dbraw/zinc/45/67/39/1208456739.db2.gz ULHSTJJWJNOEQI-KBPBESRZSA-N 1 2 342.447 2.226 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2-c2ccccn2)C[C@@H]1C ZINC000947377027 1208550711 /nfs/dbraw/zinc/55/07/11/1208550711.db2.gz CUDUJFAXOBPIEE-GJZGRUSLSA-N 1 2 337.427 2.078 20 30 EEEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2-c2ccccn2)C[C@@H]1C ZINC000947377027 1208550712 /nfs/dbraw/zinc/55/07/12/1208550712.db2.gz CUDUJFAXOBPIEE-GJZGRUSLSA-N 1 2 337.427 2.078 20 30 EEEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)C[C@H]1C ZINC000947600865 1208639127 /nfs/dbraw/zinc/63/91/27/1208639127.db2.gz AAXUTUMHNFZYGC-CZUORRHYSA-N 1 2 325.416 2.240 20 30 EEEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)C[C@H]1C ZINC000947600865 1208639128 /nfs/dbraw/zinc/63/91/28/1208639128.db2.gz AAXUTUMHNFZYGC-CZUORRHYSA-N 1 2 325.416 2.240 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)o3)[C@H](C)C2)c1 ZINC000947709914 1208681730 /nfs/dbraw/zinc/68/17/30/1208681730.db2.gz IYOJDDVWOBCBDI-DYVFJYSZSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)o3)[C@H](C)C2)c1 ZINC000947709914 1208681732 /nfs/dbraw/zinc/68/17/32/1208681732.db2.gz IYOJDDVWOBCBDI-DYVFJYSZSA-N 1 2 338.411 2.142 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2ccc[nH]2)C[C@H]1C ZINC000948061733 1208850449 /nfs/dbraw/zinc/85/04/49/1208850449.db2.gz YTCQQOJMAVVDGA-OCCSQVGLSA-N 1 2 340.265 2.435 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc[nH]2)C[C@H]1C ZINC000948061733 1208850452 /nfs/dbraw/zinc/85/04/52/1208850452.db2.gz YTCQQOJMAVVDGA-OCCSQVGLSA-N 1 2 340.265 2.435 20 30 EEEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000779168201 1209189494 /nfs/dbraw/zinc/18/94/94/1209189494.db2.gz FLHRZVMLUWKSAF-AWEZNQCLSA-N 1 2 347.846 2.388 20 30 EEEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000779168201 1209189497 /nfs/dbraw/zinc/18/94/97/1209189497.db2.gz FLHRZVMLUWKSAF-AWEZNQCLSA-N 1 2 347.846 2.388 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ncnn3C)CC2)CC1 ZINC000948747139 1209343526 /nfs/dbraw/zinc/34/35/26/1209343526.db2.gz PNVHHQBZWBAYPN-QGZVFWFLSA-N 1 2 345.491 2.374 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ncnn3C)CC2)CC1 ZINC000948747139 1209343528 /nfs/dbraw/zinc/34/35/28/1209343528.db2.gz PNVHHQBZWBAYPN-QGZVFWFLSA-N 1 2 345.491 2.374 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cccn2ccnc12 ZINC000948970514 1209480607 /nfs/dbraw/zinc/48/06/07/1209480607.db2.gz ZMCKYPZQFXGIPR-LJQANCHMSA-N 1 2 344.418 2.297 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cccn2ccnc12 ZINC000948970514 1209480609 /nfs/dbraw/zinc/48/06/09/1209480609.db2.gz ZMCKYPZQFXGIPR-LJQANCHMSA-N 1 2 344.418 2.297 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](C[C@H](O)c2cccc(OC)c2)CC1 ZINC000950051804 1209999374 /nfs/dbraw/zinc/99/93/74/1209999374.db2.gz VOKSFPVQRNNEML-AZUAARDMSA-N 1 2 346.471 2.475 20 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ZINC000953202562 1211702178 /nfs/dbraw/zinc/70/21/78/1211702178.db2.gz ZSLUMNPCYBZXFI-IBGZPJMESA-N 1 2 344.459 2.006 20 30 EEEDLO Cc1cc(N2C[C@@H]3[C@@H](CNC(=O)C#CC(C)C)[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC001114541798 1211963231 /nfs/dbraw/zinc/96/32/31/1211963231.db2.gz QBBMYKBWKWQVEX-OSYLJGHBSA-N 1 2 340.471 2.366 20 30 EEEDLO COc1c(C)c[nH+]c(CNC(=O)Cc2cccc(OCC#N)c2)c1C ZINC000089760221 1212022842 /nfs/dbraw/zinc/02/28/42/1212022842.db2.gz FISAWYXWJKCWGR-UHFFFAOYSA-N 1 2 339.395 2.468 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)Cc2ncccc2F)C1 ZINC001015614090 1225466965 /nfs/dbraw/zinc/46/69/65/1225466965.db2.gz RBZGTLZEEJULLJ-INIZCTEOSA-N 1 2 338.386 2.026 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)Cc2ncccc2F)C1 ZINC001015614090 1225466969 /nfs/dbraw/zinc/46/69/69/1225466969.db2.gz RBZGTLZEEJULLJ-INIZCTEOSA-N 1 2 338.386 2.026 20 30 EEEDLO Cc1cc[nH]c1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC000958738517 1213789543 /nfs/dbraw/zinc/78/95/43/1213789543.db2.gz 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CCN(Cc1cccc(F)c1)C(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000092915548 1214693534 /nfs/dbraw/zinc/69/35/34/1214693534.db2.gz XSWRRARUTQCNIH-UHFFFAOYSA-N 1 2 344.390 2.101 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnn(CCC(C)C)c2C)C1 ZINC000957111267 1214846453 /nfs/dbraw/zinc/84/64/53/1214846453.db2.gz HIWAYWZXUBEVDV-UHFFFAOYSA-N 1 2 330.476 2.407 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@](C)(NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000957199792 1214949839 /nfs/dbraw/zinc/94/98/39/1214949839.db2.gz YQMHIFOWXLHQEP-IBGZPJMESA-N 1 2 340.427 2.267 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114711491 1215064400 /nfs/dbraw/zinc/06/44/00/1215064400.db2.gz VVSINDOGMIUWRV-RUYXUALKSA-N 1 2 339.414 2.437 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114711491 1215064403 /nfs/dbraw/zinc/06/44/03/1215064403.db2.gz VVSINDOGMIUWRV-RUYXUALKSA-N 1 2 339.414 2.437 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC(=O)N([C@@H](C)CCC)C2)C1 ZINC000957422202 1215114988 /nfs/dbraw/zinc/11/49/88/1215114988.db2.gz NOXOIKOVWPBBPL-JKSUJKDBSA-N 1 2 335.492 2.132 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2Cc3ccncc3C2)C1 ZINC001015709626 1225580368 /nfs/dbraw/zinc/58/03/68/1225580368.db2.gz AJMJRLZFGWZWJZ-AZUAARDMSA-N 1 2 346.434 2.059 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2Cc3ccncc3C2)C1 ZINC001015709626 1225580371 /nfs/dbraw/zinc/58/03/71/1225580371.db2.gz AJMJRLZFGWZWJZ-AZUAARDMSA-N 1 2 346.434 2.059 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cn(C(C)(C)C)nn3)C[C@H]21 ZINC001114791871 1215307879 /nfs/dbraw/zinc/30/78/79/1215307879.db2.gz LAKBCZZGPBBLIX-MKSNKDDYSA-N 1 2 345.491 2.182 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(C(C)(C)C)nn3)C[C@H]21 ZINC001114791871 1215307883 /nfs/dbraw/zinc/30/78/83/1215307883.db2.gz LAKBCZZGPBBLIX-MKSNKDDYSA-N 1 2 345.491 2.182 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)c4nnc(C)o4)C[C@H]32)CC1 ZINC001114797069 1215332982 /nfs/dbraw/zinc/33/29/82/1215332982.db2.gz OYJIXKSALYOJLN-SPWCGHHHSA-N 1 2 330.432 2.232 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)c4nnc(C)o4)C[C@H]32)CC1 ZINC001114797069 1215332983 /nfs/dbraw/zinc/33/29/83/1215332983.db2.gz OYJIXKSALYOJLN-SPWCGHHHSA-N 1 2 330.432 2.232 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2scc(C)c2Cl)[C@H](O)C1 ZINC000958092108 1215561422 /nfs/dbraw/zinc/56/14/22/1215561422.db2.gz MYOLQLRLNFUSDY-GHMZBOCLSA-N 1 2 349.283 2.485 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2scc(C)c2Cl)[C@H](O)C1 ZINC000958092108 1215561425 /nfs/dbraw/zinc/56/14/25/1215561425.db2.gz MYOLQLRLNFUSDY-GHMZBOCLSA-N 1 2 349.283 2.485 20 30 EEEDLO Cn1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2ccc(F)cn2)cc1C#N ZINC001276343078 1215820209 /nfs/dbraw/zinc/82/02/09/1215820209.db2.gz DUIUPVZCBOSQKK-OALUTQOASA-N 1 2 339.418 2.280 20 30 EEEDLO Cn1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2ccc(F)cn2)cc1C#N ZINC001276343078 1215820213 /nfs/dbraw/zinc/82/02/13/1215820213.db2.gz DUIUPVZCBOSQKK-OALUTQOASA-N 1 2 339.418 2.280 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC000960504455 1216636263 /nfs/dbraw/zinc/63/62/63/1216636263.db2.gz VCFGQYUGQQWDHW-UONOGXRCSA-N 1 2 330.432 2.136 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC000960504455 1216636267 /nfs/dbraw/zinc/63/62/67/1216636267.db2.gz VCFGQYUGQQWDHW-UONOGXRCSA-N 1 2 330.432 2.136 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2coc(C3CC3)n2)C1 ZINC001015805660 1225691305 /nfs/dbraw/zinc/69/13/05/1225691305.db2.gz FNQNMNKSJVVTLS-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2coc(C3CC3)n2)C1 ZINC001015805660 1225691309 /nfs/dbraw/zinc/69/13/09/1225691309.db2.gz FNQNMNKSJVVTLS-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4nnc(C(C)C)o4)C[C@H]32)C1 ZINC000961690127 1217277058 /nfs/dbraw/zinc/27/70/58/1217277058.db2.gz KEGFBJPGBTZUDJ-NHAGDIPZSA-N 1 2 330.432 2.096 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4nnc(C(C)C)o4)C[C@H]32)C1 ZINC000961690127 1217277060 /nfs/dbraw/zinc/27/70/60/1217277060.db2.gz KEGFBJPGBTZUDJ-NHAGDIPZSA-N 1 2 330.432 2.096 20 30 EEEDLO C[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)CCCOC1 ZINC001015910958 1225816410 /nfs/dbraw/zinc/81/64/10/1225816410.db2.gz IWHCDWBZFAQGJY-HKUYNNGSSA-N 1 2 327.428 2.065 20 30 EEEDLO C[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CCCOC1 ZINC001015910958 1225816414 /nfs/dbraw/zinc/81/64/14/1225816414.db2.gz IWHCDWBZFAQGJY-HKUYNNGSSA-N 1 2 327.428 2.065 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1ccn[nH]1 ZINC000965326261 1219024326 /nfs/dbraw/zinc/02/43/26/1219024326.db2.gz QZBANDCDRAFFRD-SJKOYZFVSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1ccn[nH]1 ZINC000965326261 1219024329 /nfs/dbraw/zinc/02/43/29/1219024329.db2.gz QZBANDCDRAFFRD-SJKOYZFVSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1cocn1 ZINC000965557182 1219143564 /nfs/dbraw/zinc/14/35/64/1219143564.db2.gz KIRNIFUEGCZCHG-BLLLJJGKSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1cocn1 ZINC000965557182 1219143568 /nfs/dbraw/zinc/14/35/68/1219143568.db2.gz KIRNIFUEGCZCHG-BLLLJJGKSA-N 1 2 342.374 2.326 20 30 EEEDLO CCc1nc(C)c(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)o1 ZINC001015948458 1225872499 /nfs/dbraw/zinc/87/24/99/1225872499.db2.gz XEIVILZKIKWBTE-KRWDZBQOSA-N 1 2 337.423 2.401 20 30 EEEDLO CCc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)o1 ZINC001015948458 1225872503 /nfs/dbraw/zinc/87/25/03/1225872503.db2.gz XEIVILZKIKWBTE-KRWDZBQOSA-N 1 2 337.423 2.401 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cnn2c1CCCC2 ZINC001015951087 1225877309 /nfs/dbraw/zinc/87/73/09/1225877309.db2.gz MQUIDBYCJRJIJH-GOSISDBHSA-N 1 2 348.450 2.075 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cnn2c1CCCC2 ZINC001015951087 1225877311 /nfs/dbraw/zinc/87/73/11/1225877311.db2.gz MQUIDBYCJRJIJH-GOSISDBHSA-N 1 2 348.450 2.075 20 30 EEEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+](Cc2ccns2)C1 ZINC001015969779 1225905017 /nfs/dbraw/zinc/90/50/17/1225905017.db2.gz XMMCAPCKPLTWNP-CYBMUJFWSA-N 1 2 344.440 2.107 20 30 EEEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001015969779 1225905019 /nfs/dbraw/zinc/90/50/19/1225905019.db2.gz XMMCAPCKPLTWNP-CYBMUJFWSA-N 1 2 344.440 2.107 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2nc3cccnc3s2)C1 ZINC000966752124 1219990894 /nfs/dbraw/zinc/99/08/94/1219990894.db2.gz MNUXJAQAVBSVQQ-GXTWGEPZSA-N 1 2 328.441 2.155 20 30 EEEDLO CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2nc3cccnc3s2)C1 ZINC000966752124 1219990898 /nfs/dbraw/zinc/99/08/98/1219990898.db2.gz MNUXJAQAVBSVQQ-GXTWGEPZSA-N 1 2 328.441 2.155 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cncc3ncn(C)c32)C1 ZINC000966875017 1220086046 /nfs/dbraw/zinc/08/60/46/1220086046.db2.gz NJXRCXMRCDZZBD-NHYWBVRUSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cncc3ncn(C)c32)C1 ZINC000966875017 1220086048 /nfs/dbraw/zinc/08/60/48/1220086048.db2.gz NJXRCXMRCDZZBD-NHYWBVRUSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc(C3CC3)cn2)C1 ZINC000967028049 1220209634 /nfs/dbraw/zinc/20/96/34/1220209634.db2.gz DERDDXMYPSYJTF-WBMJQRKESA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc(C3CC3)cn2)C1 ZINC000967028049 1220209638 /nfs/dbraw/zinc/20/96/38/1220209638.db2.gz DERDDXMYPSYJTF-WBMJQRKESA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC000967418675 1220496489 /nfs/dbraw/zinc/49/64/89/1220496489.db2.gz BKGILELZKNHZLZ-HZMBPMFUSA-N 1 2 347.850 2.459 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC000967418675 1220496491 /nfs/dbraw/zinc/49/64/91/1220496491.db2.gz BKGILELZKNHZLZ-HZMBPMFUSA-N 1 2 347.850 2.459 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)c1cnco1 ZINC000967555903 1220623964 /nfs/dbraw/zinc/62/39/64/1220623964.db2.gz DUROKXZADVWREO-WBMJQRKESA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)c1cnco1 ZINC000967555903 1220623966 /nfs/dbraw/zinc/62/39/66/1220623966.db2.gz DUROKXZADVWREO-WBMJQRKESA-N 1 2 342.374 2.326 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000967633668 1220694920 /nfs/dbraw/zinc/69/49/20/1220694920.db2.gz YOVSHQGTYZKFSI-DNVCBOLYSA-N 1 2 346.475 2.394 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn3nccc3nc2C)C1 ZINC000968488598 1221345189 /nfs/dbraw/zinc/34/51/89/1221345189.db2.gz LNAWGDJGATVJRB-ABAIWWIYSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn3nccc3nc2C)C1 ZINC000968488598 1221345193 /nfs/dbraw/zinc/34/51/93/1221345193.db2.gz LNAWGDJGATVJRB-ABAIWWIYSA-N 1 2 347.850 2.230 20 30 EEEDLO C[C@H](CCCNc1ccc(C#N)nc1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001114916208 1221346729 /nfs/dbraw/zinc/34/67/29/1221346729.db2.gz CVKGHDRDGFWVFA-CYBMUJFWSA-N 1 2 326.404 2.006 20 30 EEEDLO CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2cn[nH]c21 ZINC000968858382 1221627466 /nfs/dbraw/zinc/62/74/66/1221627466.db2.gz CTNRSFTZKLEJOC-IAGOWNOFSA-N 1 2 328.460 2.214 20 30 EEEDLO CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2cn[nH]c21 ZINC000968858382 1221627470 /nfs/dbraw/zinc/62/74/70/1221627470.db2.gz CTNRSFTZKLEJOC-IAGOWNOFSA-N 1 2 328.460 2.214 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1ccc(F)nc1 ZINC001006919442 1222013913 /nfs/dbraw/zinc/01/39/13/1222013913.db2.gz LELOJZDLLQDJFO-GOSISDBHSA-N 1 2 337.398 2.467 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1ccc(F)nc1 ZINC001006919442 1222013919 /nfs/dbraw/zinc/01/39/19/1222013919.db2.gz LELOJZDLLQDJFO-GOSISDBHSA-N 1 2 337.398 2.467 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)nc2)C1 ZINC001006939571 1222024208 /nfs/dbraw/zinc/02/42/08/1222024208.db2.gz PAYPABFPPSPPNZ-QGZVFWFLSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)nc2)C1 ZINC001006939571 1222024210 /nfs/dbraw/zinc/02/42/10/1222024210.db2.gz PAYPABFPPSPPNZ-QGZVFWFLSA-N 1 2 338.386 2.487 20 30 EEEDLO CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)cn1 ZINC001006952487 1222031802 /nfs/dbraw/zinc/03/18/02/1222031802.db2.gz SQIITWXGYORGGZ-GOSISDBHSA-N 1 2 337.427 2.169 20 30 EEEDLO CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)cn1 ZINC001006952487 1222031806 /nfs/dbraw/zinc/03/18/06/1222031806.db2.gz SQIITWXGYORGGZ-GOSISDBHSA-N 1 2 337.427 2.169 20 30 EEEDLO CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)cn1 ZINC001006952490 1222031852 /nfs/dbraw/zinc/03/18/52/1222031852.db2.gz SQIITWXGYORGGZ-SFHVURJKSA-N 1 2 337.427 2.169 20 30 EEEDLO CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)cn1 ZINC001006952490 1222031856 /nfs/dbraw/zinc/03/18/56/1222031856.db2.gz SQIITWXGYORGGZ-SFHVURJKSA-N 1 2 337.427 2.169 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c(C)s1 ZINC001007154776 1222112341 /nfs/dbraw/zinc/11/23/41/1222112341.db2.gz IGNQHIWXERTFHO-AWEZNQCLSA-N 1 2 343.456 2.354 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c(C)s1 ZINC001007154776 1222112344 /nfs/dbraw/zinc/11/23/44/1222112344.db2.gz IGNQHIWXERTFHO-AWEZNQCLSA-N 1 2 343.456 2.354 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 ZINC001007650988 1222346725 /nfs/dbraw/zinc/34/67/25/1222346725.db2.gz QDMGTNWTAPICHV-HUUCEWRRSA-N 1 2 336.867 2.087 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 ZINC001007650988 1222346729 /nfs/dbraw/zinc/34/67/29/1222346729.db2.gz QDMGTNWTAPICHV-HUUCEWRRSA-N 1 2 336.867 2.087 20 30 EEEDLO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1)c1cncnc1 ZINC001008295994 1222742838 /nfs/dbraw/zinc/74/28/38/1222742838.db2.gz VSSWOPNFIPTUPE-BEFAXECRSA-N 1 2 349.438 2.233 20 30 EEEDLO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)c1cncnc1 ZINC001008295994 1222742839 /nfs/dbraw/zinc/74/28/39/1222742839.db2.gz VSSWOPNFIPTUPE-BEFAXECRSA-N 1 2 349.438 2.233 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)O1 ZINC001008588902 1222947361 /nfs/dbraw/zinc/94/73/61/1222947361.db2.gz AKSGCJJFPWDINH-RPVQJOFSSA-N 1 2 345.418 2.345 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)O1 ZINC001008588902 1222947364 /nfs/dbraw/zinc/94/73/64/1222947364.db2.gz AKSGCJJFPWDINH-RPVQJOFSSA-N 1 2 345.418 2.345 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001009115197 1223145328 /nfs/dbraw/zinc/14/53/28/1223145328.db2.gz HQGAKTYIVXLXSC-KRWDZBQOSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001009115197 1223145332 /nfs/dbraw/zinc/14/53/32/1223145332.db2.gz HQGAKTYIVXLXSC-KRWDZBQOSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)co1 ZINC001010738458 1223881182 /nfs/dbraw/zinc/88/11/82/1223881182.db2.gz HDGPGQGXLQGWSC-MRXNPFEDSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)co1 ZINC001010738458 1223881186 /nfs/dbraw/zinc/88/11/86/1223881186.db2.gz HDGPGQGXLQGWSC-MRXNPFEDSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)ns1 ZINC001010775277 1223901236 /nfs/dbraw/zinc/90/12/36/1223901236.db2.gz XHVDMKMMHKWNNP-MRXNPFEDSA-N 1 2 325.437 2.307 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)ns1 ZINC001010775277 1223901238 /nfs/dbraw/zinc/90/12/38/1223901238.db2.gz XHVDMKMMHKWNNP-MRXNPFEDSA-N 1 2 325.437 2.307 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001011145556 1224061953 /nfs/dbraw/zinc/06/19/53/1224061953.db2.gz TTXCQTIPXGNTKQ-YJBOKZPZSA-N 1 2 332.448 2.107 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3nn(C)cc31)C2 ZINC001095926495 1226182003 /nfs/dbraw/zinc/18/20/03/1226182003.db2.gz CRUIIPOFZCKCOT-OQUILHJVSA-N 1 2 348.878 2.314 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3nn(C)cc31)C2 ZINC001095926495 1226182005 /nfs/dbraw/zinc/18/20/05/1226182005.db2.gz CRUIIPOFZCKCOT-OQUILHJVSA-N 1 2 348.878 2.314 20 30 EEEDLO C=CCOc1ccccc1C(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001019055049 1228680760 /nfs/dbraw/zinc/68/07/60/1228680760.db2.gz PTBUQGJCSUSQRW-ZDUSSCGKSA-N 1 2 344.440 2.107 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001019250113 1228915539 /nfs/dbraw/zinc/91/55/39/1228915539.db2.gz TYWKDTQCTDDFQR-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO N#Cc1cc(F)c(C(=O)N2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)c(F)c1 ZINC001276374253 1229469226 /nfs/dbraw/zinc/46/92/26/1229469226.db2.gz UBAHENADGVAUCU-UHFFFAOYSA-N 1 2 342.349 2.123 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccn3ccnc3c2)c1 ZINC001038505183 1229877793 /nfs/dbraw/zinc/87/77/93/1229877793.db2.gz IFAGPZSZODJNQP-GOSISDBHSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccn3ccnc3c2)c1 ZINC001038505183 1229877794 /nfs/dbraw/zinc/87/77/94/1229877794.db2.gz IFAGPZSZODJNQP-GOSISDBHSA-N 1 2 345.406 2.210 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccn1 ZINC001038795544 1230063120 /nfs/dbraw/zinc/06/31/20/1230063120.db2.gz JKOUTGGVFPKFNI-BZSNNMDCSA-N 1 2 329.444 2.143 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccn1 ZINC001038795544 1230063123 /nfs/dbraw/zinc/06/31/23/1230063123.db2.gz JKOUTGGVFPKFNI-BZSNNMDCSA-N 1 2 329.444 2.143 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2c(C)nsc2C)nc1 ZINC001038943082 1230181794 /nfs/dbraw/zinc/18/17/94/1230181794.db2.gz OVTALERSEYJOMC-HNNXBMFYSA-N 1 2 340.452 2.141 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2c(C)nsc2C)nc1 ZINC001038943082 1230181797 /nfs/dbraw/zinc/18/17/97/1230181797.db2.gz OVTALERSEYJOMC-HNNXBMFYSA-N 1 2 340.452 2.141 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1Cc2cccnc2C1 ZINC001038967014 1230200473 /nfs/dbraw/zinc/20/04/73/1230200473.db2.gz CNAWWJSECHTHGZ-UXHICEINSA-N 1 2 345.446 2.039 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1Cc2cccnc2C1 ZINC001038967014 1230200477 /nfs/dbraw/zinc/20/04/77/1230200477.db2.gz CNAWWJSECHTHGZ-UXHICEINSA-N 1 2 345.446 2.039 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)C2CCC(C)(C)CC2)C1=O ZINC001039059822 1230271882 /nfs/dbraw/zinc/27/18/82/1230271882.db2.gz GRWLREKGOLTFTH-DLBZAZTESA-N 1 2 347.503 2.180 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)C2CCC(C)(C)CC2)C1=O ZINC001039059822 1230271887 /nfs/dbraw/zinc/27/18/87/1230271887.db2.gz GRWLREKGOLTFTH-DLBZAZTESA-N 1 2 347.503 2.180 20 30 EEEDLO CN(C)c1ccnc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)c1 ZINC001039073017 1230282557 /nfs/dbraw/zinc/28/25/57/1230282557.db2.gz IPOOXZVKUZYWRU-SFHVURJKSA-N 1 2 349.438 2.024 20 30 EEEDLO CN(C)c1ccnc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)c1 ZINC001039073017 1230282561 /nfs/dbraw/zinc/28/25/61/1230282561.db2.gz IPOOXZVKUZYWRU-SFHVURJKSA-N 1 2 349.438 2.024 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@H]1[C@@H]1CC[N@H+](Cc2nncs2)C1 ZINC001039220689 1230451453 /nfs/dbraw/zinc/45/14/53/1230451453.db2.gz CUQRJPLIDHYOAL-CVEARBPZSA-N 1 2 344.484 2.155 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@H]1[C@@H]1CC[N@@H+](Cc2nncs2)C1 ZINC001039220689 1230451456 /nfs/dbraw/zinc/45/14/56/1230451456.db2.gz CUQRJPLIDHYOAL-CVEARBPZSA-N 1 2 344.484 2.155 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1cnn(C)c1 ZINC001039473741 1230637628 /nfs/dbraw/zinc/63/76/28/1230637628.db2.gz AMRPODUCAKNMLX-CVEARBPZSA-N 1 2 336.867 2.171 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1cnn(C)c1 ZINC001039473741 1230637630 /nfs/dbraw/zinc/63/76/30/1230637630.db2.gz AMRPODUCAKNMLX-CVEARBPZSA-N 1 2 336.867 2.171 20 30 EEEDLO C[C@H]1[C@@H](Nc2cccc(F)c2C#N)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001040171765 1231073186 /nfs/dbraw/zinc/07/31/86/1231073186.db2.gz BVYGVBMYRIPTPL-FZMZJTMJSA-N 1 2 327.363 2.064 20 30 EEEDLO Cc1nc(NC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C)cc[nH+]1 ZINC001040409805 1231215650 /nfs/dbraw/zinc/21/56/50/1231215650.db2.gz NEZQSDLLHZKBLC-WFASDCNBSA-N 1 2 338.415 2.195 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N3CCC4(C3)CCN(CC#N)CC4)ccn12 ZINC001040703982 1231341598 /nfs/dbraw/zinc/34/15/98/1231341598.db2.gz SEOZCVBMJWQMIP-UHFFFAOYSA-N 1 2 337.427 2.094 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)CC2(C)C)cn1 ZINC001067329206 1231391308 /nfs/dbraw/zinc/39/13/08/1231391308.db2.gz WOQQAVKKTLAYQO-KRWDZBQOSA-N 1 2 349.438 2.196 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(CC[N@H+](Cc3nnc(C)o3)C2)C1 ZINC001041625688 1231629028 /nfs/dbraw/zinc/62/90/28/1231629028.db2.gz KGTSXVQSFVWGRB-ZWKOTPCHSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3nnc(C)o3)C2)C1 ZINC001041625688 1231629031 /nfs/dbraw/zinc/62/90/31/1231629031.db2.gz KGTSXVQSFVWGRB-ZWKOTPCHSA-N 1 2 332.448 2.405 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2CCN(C(=O)C(F)F)C[C@@H]21 ZINC001041879704 1231744907 /nfs/dbraw/zinc/74/49/07/1231744907.db2.gz NFPWIWAEUUXBQU-NHYWBVRUSA-N 1 2 337.345 2.385 20 30 EEEDLO 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C=CCCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001051460424 1245749104 /nfs/dbraw/zinc/74/91/04/1245749104.db2.gz SLKPONNAONKZSL-CABCVRRESA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001051460424 1245749106 /nfs/dbraw/zinc/74/91/06/1245749106.db2.gz SLKPONNAONKZSL-CABCVRRESA-N 1 2 332.448 2.052 20 30 EEEDLO CC(C)(C(=O)N1CCC[C@H]([C@@H]2CCCN(CC#N)C2)C1)c1c[nH+]c[nH]1 ZINC001053049378 1245767776 /nfs/dbraw/zinc/76/77/76/1245767776.db2.gz CJRKVOUBKLICDA-CVEARBPZSA-N 1 2 343.475 2.161 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCO[C@@H](C[NH2+][C@@H](C)c2csnn2)C1 ZINC001051752195 1246071953 /nfs/dbraw/zinc/07/19/53/1246071953.db2.gz FWLONGXTDDLXMW-STQMWFEESA-N 1 2 338.477 2.018 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)Cc3cccs3)C2)CC1 ZINC001051971402 1246326805 /nfs/dbraw/zinc/32/68/05/1246326805.db2.gz UVOZGLQVYNHHMX-INIZCTEOSA-N 1 2 333.501 2.085 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)CC3(C)CCCC3)C2)CC1 ZINC001052024675 1246387816 /nfs/dbraw/zinc/38/78/16/1246387816.db2.gz JIOGPTJDDJBPLH-GOSISDBHSA-N 1 2 331.504 2.199 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)C2)CC1 ZINC001052031465 1246396730 /nfs/dbraw/zinc/39/67/30/1246396730.db2.gz OTYGOBOQDAWRTO-IPMKNSEASA-N 1 2 345.531 2.301 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ncoc1C(C)(C)C)CCO2 ZINC001053500798 1246403576 /nfs/dbraw/zinc/40/35/76/1246403576.db2.gz WMIXINSKSDIJMM-UHFFFAOYSA-N 1 2 333.432 2.075 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC001052062318 1246432286 /nfs/dbraw/zinc/43/22/86/1246432286.db2.gz IQWSAFAJIIYCAS-SFHVURJKSA-N 1 2 342.487 2.012 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)COc1cccc(CC)c1)CCO2 ZINC001053526113 1246433562 /nfs/dbraw/zinc/43/35/62/1246433562.db2.gz XOUUQKRTUXZPBY-UHFFFAOYSA-N 1 2 344.455 2.117 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(CCC)cc3)C2)CC1 ZINC001052073160 1246448209 /nfs/dbraw/zinc/44/82/09/1246448209.db2.gz FTVKWBVBYZHNQP-HXUWFJFHSA-N 1 2 339.483 2.104 20 30 EEEDLO CC(C)(C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)C1CCCCC1 ZINC001052092763 1246471554 /nfs/dbraw/zinc/47/15/54/1246471554.db2.gz DCVXHAVUVXPUSN-SFHVURJKSA-N 1 2 346.519 2.335 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC4CCC3CC4)C2)CC1 ZINC001052121507 1246506493 /nfs/dbraw/zinc/50/64/93/1246506493.db2.gz DQMMMPQUVZEURZ-GHBBCFCZSA-N 1 2 343.515 2.055 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccn3c1CCCC3)O2 ZINC001053609542 1246528540 /nfs/dbraw/zinc/52/85/40/1246528540.db2.gz BIEWGDQQDUILIR-INIZCTEOSA-N 1 2 343.471 2.364 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C)cc(C)n1)O2 ZINC001053620475 1246544324 /nfs/dbraw/zinc/54/43/24/1246544324.db2.gz MXKIFHOIMRUCSJ-MRXNPFEDSA-N 1 2 329.444 2.238 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C(C)C)nn1CC)O2 ZINC001053624659 1246550824 /nfs/dbraw/zinc/55/08/24/1246550824.db2.gz ZDXSODOSNGCJIY-HNNXBMFYSA-N 1 2 346.475 2.176 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccnc3ccccc31)O2 ZINC001053627372 1246555427 /nfs/dbraw/zinc/55/54/27/1246555427.db2.gz VORKZPAXAPOHKA-HNNXBMFYSA-N 1 2 337.423 2.384 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc3ccccc3n1C)O2 ZINC001053654306 1246597464 /nfs/dbraw/zinc/59/74/64/1246597464.db2.gz ILEMMNBAFUDKJJ-MRXNPFEDSA-N 1 2 339.439 2.328 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1noc3c1CCCCC3)O2 ZINC001053669521 1246617695 /nfs/dbraw/zinc/61/76/95/1246617695.db2.gz AXGPNGQUYZUNLV-AWEZNQCLSA-N 1 2 345.443 2.093 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn(CCC)c1C)O2 ZINC001053684684 1246643840 /nfs/dbraw/zinc/64/38/40/1246643840.db2.gz SZMKXGJQKYLVME-INIZCTEOSA-N 1 2 346.475 2.141 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)O2 ZINC001053687172 1246648950 /nfs/dbraw/zinc/64/89/50/1246648950.db2.gz KFWXDAFEQORKJU-CQSZACIVSA-N 1 2 346.475 2.247 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc3cccnc3s1)O2 ZINC001053688122 1246652814 /nfs/dbraw/zinc/65/28/14/1246652814.db2.gz KISXGOWFXFIDHF-CQSZACIVSA-N 1 2 343.452 2.446 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc(OC)c1)O2 ZINC001053689811 1246656062 /nfs/dbraw/zinc/65/60/62/1246656062.db2.gz CHUJVHYCONWNKD-QGZVFWFLSA-N 1 2 330.428 2.235 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(C)onc1CC)O2 ZINC001053695740 1246666974 /nfs/dbraw/zinc/66/69/74/1246666974.db2.gz QWGCQWDZUYZDOJ-AWEZNQCLSA-N 1 2 333.432 2.085 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cncnc1C(C)C)O2 ZINC001053700006 1246675607 /nfs/dbraw/zinc/67/56/07/1246675607.db2.gz MJHSCCBLOXHPQU-OAHLLOKOSA-N 1 2 344.459 2.139 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1coc3c1cccc3C)CO2 ZINC001053829192 1246859832 /nfs/dbraw/zinc/85/98/32/1246859832.db2.gz AOVUMHDLWNTZED-HNNXBMFYSA-N 1 2 338.407 2.338 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)ccc1C1CC1)CO2 ZINC001053881034 1246959475 /nfs/dbraw/zinc/95/94/75/1246959475.db2.gz CHKCMAFETVIZLC-KRWDZBQOSA-N 1 2 338.451 2.469 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1cccc(Cl)c1)CO2 ZINC001053912817 1247005334 /nfs/dbraw/zinc/00/53/34/1247005334.db2.gz HMANNBHJHNUJDP-MRXNPFEDSA-N 1 2 334.847 2.418 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2COC3(C[NH+](CCOC4CCC4)C3)C2)CC1 ZINC001053914100 1247006824 /nfs/dbraw/zinc/00/68/24/1247006824.db2.gz GWQHFXNDOZIXEU-QGZVFWFLSA-N 1 2 348.487 2.261 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2COC3(C[NH+](C[C@H]4CC(C)(C)CO4)C3)C2)C1 ZINC001053919623 1247014721 /nfs/dbraw/zinc/01/47/21/1247014721.db2.gz PPXFIUJZIMMJTI-HZPDHXFCSA-N 1 2 348.487 2.117 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1C)CO2 ZINC001053954093 1247059937 /nfs/dbraw/zinc/05/99/37/1247059937.db2.gz IOGUSDLZKKUDPK-YTQUADARSA-N 1 2 338.451 2.081 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ncsc1C(C)C)CO2 ZINC001053979136 1247100571 /nfs/dbraw/zinc/10/05/71/1247100571.db2.gz IKLJNAYIALEKFI-ZDUSSCGKSA-N 1 2 335.473 2.416 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(CC(C)C)cc1)CO2 ZINC001054004085 1247137089 /nfs/dbraw/zinc/13/70/89/1247137089.db2.gz HIZMRDRHHTUWLZ-IBGZPJMESA-N 1 2 340.467 2.482 20 30 EEEDLO C#CCN1Cc2ccccc2C[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001054044160 1247215704 /nfs/dbraw/zinc/21/57/04/1247215704.db2.gz TWUOBGFYZJBFOT-GOSISDBHSA-N 1 2 344.418 2.353 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001054044160 1247215714 /nfs/dbraw/zinc/21/57/14/1247215714.db2.gz TWUOBGFYZJBFOT-GOSISDBHSA-N 1 2 344.418 2.353 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001054044160 1247215724 /nfs/dbraw/zinc/21/57/24/1247215724.db2.gz TWUOBGFYZJBFOT-GOSISDBHSA-N 1 2 344.418 2.353 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@]2(CC[N@H+](Cc3cnon3)C2)C1 ZINC001054175287 1247612417 /nfs/dbraw/zinc/61/24/17/1247612417.db2.gz LMNUTOHETDGAMH-SFHVURJKSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cnon3)C2)C1 ZINC001054175287 1247612431 /nfs/dbraw/zinc/61/24/31/1247612431.db2.gz LMNUTOHETDGAMH-SFHVURJKSA-N 1 2 332.448 2.486 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@H](C)[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001052611954 1247684540 /nfs/dbraw/zinc/68/45/40/1247684540.db2.gz OOXSMEJRURJSRB-LSDHHAIUSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@H](C)[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001052611954 1247684556 /nfs/dbraw/zinc/68/45/56/1247684556.db2.gz OOXSMEJRURJSRB-LSDHHAIUSA-N 1 2 346.475 2.155 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3Cc4cccnc4C3)cc2C1 ZINC001054290442 1248024065 /nfs/dbraw/zinc/02/40/65/1248024065.db2.gz BVVGBGOORXZSPA-GOSISDBHSA-N 1 2 331.419 2.062 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3Cc4cccnc4C3)cc2C1 ZINC001054290442 1248024076 /nfs/dbraw/zinc/02/40/76/1248024076.db2.gz BVVGBGOORXZSPA-GOSISDBHSA-N 1 2 331.419 2.062 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001068141864 1250419404 /nfs/dbraw/zinc/41/94/04/1250419404.db2.gz GRMFICIBPGLGPG-PMPSAXMXSA-N 1 2 344.459 2.097 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCO[C@@H]([C@@H](C)Nc3cc[nH+]c(C)n3)C2)C1 ZINC001068244235 1250587892 /nfs/dbraw/zinc/58/78/92/1250587892.db2.gz SPMZZOMBOLKSTD-UKRRQHHQSA-N 1 2 330.432 2.169 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3cc(Cl)c[nH]3)c2C1 ZINC001069852834 1253355783 /nfs/dbraw/zinc/35/57/83/1253355783.db2.gz KQBXNZBNRBVVGQ-UHFFFAOYSA-N 1 2 333.823 2.186 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3cc(Cl)c[nH]3)c2C1 ZINC001069852834 1253355792 /nfs/dbraw/zinc/35/57/92/1253355792.db2.gz KQBXNZBNRBVVGQ-UHFFFAOYSA-N 1 2 333.823 2.186 20 30 EEEDLO C=CCCC(=O)N1Cc2ccc(CNC(=O)Cn3cc[nH+]c3)cc2C1 ZINC001070318546 1253534735 /nfs/dbraw/zinc/53/47/35/1253534735.db2.gz WEEGJLIKJDQZKX-UHFFFAOYSA-N 1 2 338.411 2.008 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccccn1)C[C@@H](C)O2 ZINC001071125798 1253976042 /nfs/dbraw/zinc/97/60/42/1253976042.db2.gz WRWVRYANJPMXSQ-RHSMWYFYSA-N 1 2 335.835 2.140 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccccn1)C[C@@H](C)O2 ZINC001071125798 1253976051 /nfs/dbraw/zinc/97/60/51/1253976051.db2.gz WRWVRYANJPMXSQ-RHSMWYFYSA-N 1 2 335.835 2.140 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[N@@H+]1Cc1cncc(F)c1 ZINC001071437043 1254181877 /nfs/dbraw/zinc/18/18/77/1254181877.db2.gz BPPCENGFDBLYAF-BLLLJJGKSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1Cc1cncc(F)c1 ZINC001071437043 1254181882 /nfs/dbraw/zinc/18/18/82/1254181882.db2.gz BPPCENGFDBLYAF-BLLLJJGKSA-N 1 2 341.390 2.203 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cncc3[nH]cnc32)CC[C@H]1C ZINC001071518255 1254305701 /nfs/dbraw/zinc/30/57/01/1254305701.db2.gz NBRCAYHTMVXBKT-NEPJUHHUSA-N 1 2 333.823 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cncc3[nH]cnc32)CC[C@H]1C ZINC001071518255 1254305710 /nfs/dbraw/zinc/30/57/10/1254305710.db2.gz NBRCAYHTMVXBKT-NEPJUHHUSA-N 1 2 333.823 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2ccc(OC)cn2)CC[C@H]1C ZINC001071759760 1254617768 /nfs/dbraw/zinc/61/77/68/1254617768.db2.gz 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C=C[C@@](C)(CCOC)C(=O)NC1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001228467995 1302276609 /nfs/dbraw/zinc/27/66/09/1302276609.db2.gz ZYMGTGGCKISYPU-SFHVURJKSA-N 1 2 335.448 2.292 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC1CC[NH+](Cc2cn(CC3CC3)nn2)CC1 ZINC001228810032 1302460400 /nfs/dbraw/zinc/46/04/00/1302460400.db2.gz PGFNKJFNHXEVOS-HNNXBMFYSA-N 1 2 345.491 2.371 20 30 EEEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cccc(C#N)c3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229006402 1302565448 /nfs/dbraw/zinc/56/54/48/1302565448.db2.gz DSJOTROTSPPCSR-RBRDRRMGSA-N 1 2 335.201 2.312 20 30 EEEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cccc(C#N)c3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229006402 1302565459 /nfs/dbraw/zinc/56/54/59/1302565459.db2.gz DSJOTROTSPPCSR-RBRDRRMGSA-N 1 2 335.201 2.312 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC1CC[NH+](Cc2cc(=O)c(OC)co2)CC1 ZINC001229016226 1302571509 /nfs/dbraw/zinc/57/15/09/1302571509.db2.gz FYVYYJZZADDMIQ-LJQANCHMSA-N 1 2 348.443 2.331 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](CC)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001103296199 1302674878 /nfs/dbraw/zinc/67/48/78/1302674878.db2.gz LXFZCJURBFJSTA-LIRRHRJNSA-N 1 2 345.491 2.374 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](CC)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001103296199 1302674892 /nfs/dbraw/zinc/67/48/92/1302674892.db2.gz LXFZCJURBFJSTA-LIRRHRJNSA-N 1 2 345.491 2.374 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H](CC)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001103328079 1302744653 /nfs/dbraw/zinc/74/46/53/1302744653.db2.gz CFDULVYUSKDVJV-ZDUSSCGKSA-N 1 2 334.468 2.155 20 30 EEEDLO CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)Nc1ncc(C#N)cc1F ZINC001103336273 1302763054 /nfs/dbraw/zinc/76/30/54/1302763054.db2.gz GJNKCBLJRUKZDJ-AAEUAGOBSA-N 1 2 344.394 2.001 20 30 EEEDLO CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)Nc1ncc(C#N)cc1F ZINC001103336273 1302763059 /nfs/dbraw/zinc/76/30/59/1302763059.db2.gz GJNKCBLJRUKZDJ-AAEUAGOBSA-N 1 2 344.394 2.001 20 30 EEEDLO CC[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)Nc1ncccc1C#N ZINC001103367178 1302836206 /nfs/dbraw/zinc/83/62/06/1302836206.db2.gz 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ZINC001230865429 1303510392 /nfs/dbraw/zinc/51/03/92/1303510392.db2.gz CINWDLMYJGSACU-UONOGXRCSA-N 1 2 333.457 2.222 20 30 EEEDLO CCCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001231070577 1303609648 /nfs/dbraw/zinc/60/96/48/1303609648.db2.gz OVNFZLQOYBKSJT-SFHVURJKSA-N 1 2 332.419 2.137 20 30 EEEDLO CCCOCC(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001231070577 1303609655 /nfs/dbraw/zinc/60/96/55/1303609655.db2.gz OVNFZLQOYBKSJT-SFHVURJKSA-N 1 2 332.419 2.137 20 30 EEEDLO C[C@H](OCC1CC1)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001231087806 1303623445 /nfs/dbraw/zinc/62/34/45/1303623445.db2.gz WCKSCFRVCZKLLL-FXAWDEMLSA-N 1 2 340.467 2.386 20 30 EEEDLO C[C@H](OCC1CC1)C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001231087806 1303623450 /nfs/dbraw/zinc/62/34/50/1303623450.db2.gz WCKSCFRVCZKLLL-FXAWDEMLSA-N 1 2 340.467 2.386 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(OC)nc1 ZINC001231093481 1303624515 /nfs/dbraw/zinc/62/45/15/1303624515.db2.gz AZDSVGJSQWUALA-DOTOQJQBSA-N 1 2 347.459 2.104 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(OC)nc1 ZINC001231093481 1303624517 /nfs/dbraw/zinc/62/45/17/1303624517.db2.gz AZDSVGJSQWUALA-DOTOQJQBSA-N 1 2 347.459 2.104 20 30 EEEDLO CC[C@H](OC)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001231101322 1303629855 /nfs/dbraw/zinc/62/98/55/1303629855.db2.gz BDUNUMCVJUMLSH-WBVHZDCISA-N 1 2 333.407 2.155 20 30 EEEDLO CC[C@H](OC)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001231101322 1303629856 /nfs/dbraw/zinc/62/98/56/1303629856.db2.gz BDUNUMCVJUMLSH-WBVHZDCISA-N 1 2 333.407 2.155 20 30 EEEDLO C#Cc1cccc(C[N@H+]2Cc3nccn3C[C@H](CN3CCCC3=O)C2)c1 ZINC001231655338 1303881660 /nfs/dbraw/zinc/88/16/60/1303881660.db2.gz MDFVDHRDERXPHO-LJQANCHMSA-N 1 2 348.450 2.119 20 30 EEEDLO C#Cc1cccc(C[N@@H+]2Cc3nccn3C[C@H](CN3CCCC3=O)C2)c1 ZINC001231655338 1303881663 /nfs/dbraw/zinc/88/16/63/1303881663.db2.gz MDFVDHRDERXPHO-LJQANCHMSA-N 1 2 348.450 2.119 20 30 EEEDLO CCNC(=O)COC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC001232608831 1304191065 /nfs/dbraw/zinc/19/10/65/1304191065.db2.gz VWGSQXIPSKYSHT-UHFFFAOYSA-N 1 2 335.835 2.329 20 30 EEEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)c1 ZINC001232675240 1304211421 /nfs/dbraw/zinc/21/14/21/1304211421.db2.gz OGNFOJOVYYUCSD-QZTJIDSGSA-N 1 2 348.406 2.034 20 30 EEEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)c1 ZINC001232675240 1304211428 /nfs/dbraw/zinc/21/14/28/1304211428.db2.gz OGNFOJOVYYUCSD-QZTJIDSGSA-N 1 2 348.406 2.034 20 30 EEEDLO COc1cc(C)nc(O[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC001232892821 1304284704 /nfs/dbraw/zinc/28/47/04/1304284704.db2.gz XVXVISFSCPQVDT-INIZCTEOSA-N 1 2 342.374 2.458 20 30 EEEDLO COc1cc(C)nc(O[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC001232892821 1304284712 /nfs/dbraw/zinc/28/47/12/1304284712.db2.gz XVXVISFSCPQVDT-INIZCTEOSA-N 1 2 342.374 2.458 20 30 EEEDLO CC(=O)NC1CC[NH+](Cc2ccc(Br)c(C#N)c2)CC1 ZINC001232892463 1304285169 /nfs/dbraw/zinc/28/51/69/1304285169.db2.gz LRXXYBVYVKRYLM-UHFFFAOYSA-N 1 2 336.233 2.421 20 30 EEEDLO CCOCc1nnn2c1C[N@H+](Cc1ccc(C#N)cc1C)CCC2 ZINC001233081584 1304355426 /nfs/dbraw/zinc/35/54/26/1304355426.db2.gz HJULYVKZGBSXCF-UHFFFAOYSA-N 1 2 325.416 2.401 20 30 EEEDLO CCOCc1nnn2c1C[N@@H+](Cc1ccc(C#N)cc1C)CCC2 ZINC001233081584 1304355430 /nfs/dbraw/zinc/35/54/30/1304355430.db2.gz HJULYVKZGBSXCF-UHFFFAOYSA-N 1 2 325.416 2.401 20 30 EEEDLO Cc1cc(NCC2(NC(=O)[C@@H](C)C#N)CCOCC2)nc(C(C)C)[nH+]1 ZINC001112243078 1304366148 /nfs/dbraw/zinc/36/61/48/1304366148.db2.gz ICKBBZYECNPWMJ-ZDUSSCGKSA-N 1 2 345.447 2.145 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001112416441 1304535320 /nfs/dbraw/zinc/53/53/20/1304535320.db2.gz DBUUGXCGBMYBKW-CXAGYDPISA-N 1 2 346.475 2.326 20 30 EEEDLO COc1cc2c(cc1Cl)ncnc2O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001233782912 1304592064 /nfs/dbraw/zinc/59/20/64/1304592064.db2.gz BYEJYJZAXCBEMX-QQXPKRHZSA-N 1 2 347.802 2.283 20 30 EEEDLO COc1cc2c(cc1Cl)ncnc2O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001233782912 1304592069 /nfs/dbraw/zinc/59/20/69/1304592069.db2.gz BYEJYJZAXCBEMX-QQXPKRHZSA-N 1 2 347.802 2.283 20 30 EEEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC1CCCCCC1 ZINC001233947232 1304652377 /nfs/dbraw/zinc/65/23/77/1304652377.db2.gz JMMSSSUQDPZHHO-GOSISDBHSA-N 1 2 347.503 2.162 20 30 EEEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC1CCCCCC1 ZINC001233947232 1304652382 /nfs/dbraw/zinc/65/23/82/1304652382.db2.gz JMMSSSUQDPZHHO-GOSISDBHSA-N 1 2 347.503 2.162 20 30 EEEDLO C[C@H](CCCNc1cccc(F)c1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001115088248 1304667112 /nfs/dbraw/zinc/66/71/12/1304667112.db2.gz FCHAIVSTYREBJV-GFCCVEGCSA-N 1 2 329.379 2.360 20 30 EEEDLO C=CCCOCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001234275315 1304837306 /nfs/dbraw/zinc/83/73/06/1304837306.db2.gz BSWPHNDCOIVMEV-SFHVURJKSA-N 1 2 348.491 2.216 20 30 EEEDLO C=CCCOCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001234275315 1304837316 /nfs/dbraw/zinc/83/73/16/1304837316.db2.gz BSWPHNDCOIVMEV-SFHVURJKSA-N 1 2 348.491 2.216 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001234296392 1304848833 /nfs/dbraw/zinc/84/88/33/1304848833.db2.gz LDXAOFUCSYXACZ-BRWVUGGUSA-N 1 2 346.496 2.343 20 30 EEEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001234296392 1304848845 /nfs/dbraw/zinc/84/88/45/1304848845.db2.gz LDXAOFUCSYXACZ-BRWVUGGUSA-N 1 2 346.496 2.343 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccon4)C[C@H]32)CCCCC1 ZINC001115326644 1304947021 /nfs/dbraw/zinc/94/70/21/1304947021.db2.gz QRQLEUZWTBGVPV-FVQHAEBGSA-N 1 2 327.428 2.195 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccon4)C[C@H]32)CCCCC1 ZINC001115326644 1304947025 /nfs/dbraw/zinc/94/70/25/1304947025.db2.gz QRQLEUZWTBGVPV-FVQHAEBGSA-N 1 2 327.428 2.195 20 30 EEEDLO Cc1nc(N[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C(C)C)ccc1C#N ZINC001115334261 1304959246 /nfs/dbraw/zinc/95/92/46/1304959246.db2.gz 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COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1nccc2ccsc21 ZINC001235534320 1305268354 /nfs/dbraw/zinc/26/83/54/1305268354.db2.gz BPAJZRDEUZROOB-HNNXBMFYSA-N 1 2 343.452 2.092 20 30 EEEDLO C[C@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)Nc1ncc(C#N)cc1F ZINC001115779316 1305764570 /nfs/dbraw/zinc/76/45/70/1305764570.db2.gz JSCUPFXSIGHILK-LLVKDONJSA-N 1 2 344.394 2.052 20 30 EEEDLO C#CCN(CC1CC1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001116370008 1305880263 /nfs/dbraw/zinc/88/02/63/1305880263.db2.gz JPMPNBNPRHYUAD-UHFFFAOYSA-N 1 2 341.455 2.074 20 30 EEEDLO Cn1c2ccccc2n(C2CC[NH+](Cc3ccnc(C#N)c3)CC2)c1=O ZINC001237467819 1305946707 /nfs/dbraw/zinc/94/67/07/1305946707.db2.gz AQINLEZUQNQSFR-UHFFFAOYSA-N 1 2 347.422 2.444 20 30 EEEDLO Cc1cnc(O[C@H]2CCC[N@H+](Cc3cn4cc(C#N)ccc4n3)C2)nc1 ZINC001237611867 1306003665 /nfs/dbraw/zinc/00/36/65/1306003665.db2.gz SWSYZQWOKNGINH-KRWDZBQOSA-N 1 2 348.410 2.348 20 30 EEEDLO Cc1cnc(O[C@H]2CCC[N@@H+](Cc3cn4cc(C#N)ccc4n3)C2)nc1 ZINC001237611867 1306003677 /nfs/dbraw/zinc/00/36/77/1306003677.db2.gz SWSYZQWOKNGINH-KRWDZBQOSA-N 1 2 348.410 2.348 20 30 EEEDLO N#Cc1ccc2nc(C[NH+]3CCC(Oc4ncccn4)CC3)cn2c1 ZINC001237613433 1306005622 /nfs/dbraw/zinc/00/56/22/1306005622.db2.gz GUFJBSCBJWKVKG-UHFFFAOYSA-N 1 2 334.383 2.039 20 30 EEEDLO N#CCC1CN(C(=O)c2n[nH]c3c2C[N@H+](CCC2CCCC2)CC3)C1 ZINC001278220254 1306340584 /nfs/dbraw/zinc/34/05/84/1306340584.db2.gz ZJABWOOJRSHPKS-UHFFFAOYSA-N 1 2 341.459 2.334 20 30 EEEDLO N#CCC1CN(C(=O)c2n[nH]c3c2C[N@@H+](CCC2CCCC2)CC3)C1 ZINC001278220254 1306340596 /nfs/dbraw/zinc/34/05/96/1306340596.db2.gz ZJABWOOJRSHPKS-UHFFFAOYSA-N 1 2 341.459 2.334 20 30 EEEDLO N#Cc1c(F)cncc1-c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001240451577 1309329903 /nfs/dbraw/zinc/32/99/03/1309329903.db2.gz NYAVWAAXIWPNBI-UHFFFAOYSA-N 1 2 327.359 2.470 20 30 EEEDLO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1-c1c[nH+]c(N)cc1C ZINC001242078555 1309606198 /nfs/dbraw/zinc/60/61/98/1309606198.db2.gz LQNYGVASOAJMHR-NSHDSACASA-N 1 2 333.351 2.363 20 30 EEEDLO C[C@@H](CN(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)Nc1ncccc1C#N ZINC001120642065 1309660858 /nfs/dbraw/zinc/66/08/58/1309660858.db2.gz CIXYKKXDUKNFKE-GXTWGEPZSA-N 1 2 338.415 2.055 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)C[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001120712084 1309704627 /nfs/dbraw/zinc/70/46/27/1309704627.db2.gz IBVMIPKRZNBXSD-LBPRGKRZSA-N 1 2 330.436 2.224 20 30 EEEDLO Cc1nc(N[C@@H](C)CN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)ccc1C#N ZINC001120776063 1309743378 /nfs/dbraw/zinc/74/33/78/1309743378.db2.gz VIWALCUWCYNAJN-OLZOCXBDSA-N 1 2 340.431 2.122 20 30 EEEDLO Cc1nc(N[C@@H](C)CN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)ccc1C#N ZINC001120776063 1309743387 /nfs/dbraw/zinc/74/33/87/1309743387.db2.gz VIWALCUWCYNAJN-OLZOCXBDSA-N 1 2 340.431 2.122 20 30 EEEDLO C#CCCN(CCOC)c1nnc([C@@H]2CCCC[N@@H+]2C)n1CC=C ZINC001121612834 1310069925 /nfs/dbraw/zinc/06/99/25/1310069925.db2.gz PZFYMFUOHXOORV-INIZCTEOSA-N 1 2 331.464 2.097 20 30 EEEDLO C#CCCN(CCOC)c1nnc([C@@H]2CCCC[N@H+]2C)n1CC=C ZINC001121612834 1310069932 /nfs/dbraw/zinc/06/99/32/1310069932.db2.gz PZFYMFUOHXOORV-INIZCTEOSA-N 1 2 331.464 2.097 20 30 EEEDLO C[C@H]1[C@H](Nc2ccc(C#N)nc2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001123029386 1310450719 /nfs/dbraw/zinc/45/07/19/1310450719.db2.gz ZGFPOWSEWQCPJY-WMLDXEAASA-N 1 2 338.415 2.031 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)[C@H]1C ZINC001123067435 1310463216 /nfs/dbraw/zinc/46/32/16/1310463216.db2.gz LDSBQNXZGGCELP-TZMCWYRMSA-N 1 2 346.479 2.250 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CCCN(c2[nH+]cnc3c2cnn3C)[C@H]1C ZINC001123663046 1310668654 /nfs/dbraw/zinc/66/86/54/1310668654.db2.gz SFHVUFPBSIEESF-ZFWWWQNUSA-N 1 2 342.447 2.193 20 30 EEEDLO COCC1(CNC(=O)[C@@H](C)C#N)CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC001162165280 1320770537 /nfs/dbraw/zinc/77/05/37/1320770537.db2.gz HCVNIPMUBYBQJZ-ALFJJAPYSA-N 1 2 348.274 2.310 20 30 EEEDLO C=C(C)C[NH+]1CCC(CNC(=O)C(F)C(F)(F)F)(COC)CC1 ZINC001162283039 1320805266 /nfs/dbraw/zinc/80/52/66/1320805266.db2.gz GXVFFZADIITLKN-GFCCVEGCSA-N 1 2 340.361 2.308 20 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/nfs/dbraw/zinc/99/09/14/1315990914.db2.gz RMUPTSLPWRGRLZ-KRWDZBQOSA-N 1 2 347.459 2.192 20 30 EEEDLO CC(C)C#CC(=O)NC[C@H]1C[N@H+](Cc2ccnc(Cl)c2)CCCO1 ZINC001149673937 1316011686 /nfs/dbraw/zinc/01/16/86/1316011686.db2.gz RBQFSHDFDBLJRF-INIZCTEOSA-N 1 2 349.862 2.102 20 30 EEEDLO CC(C)C#CC(=O)NC[C@H]1C[N@@H+](Cc2ccnc(Cl)c2)CCCO1 ZINC001149673937 1316011689 /nfs/dbraw/zinc/01/16/89/1316011689.db2.gz RBQFSHDFDBLJRF-INIZCTEOSA-N 1 2 349.862 2.102 20 30 EEEDLO C=C(C)C[NH+]1CCC(CCOC)(NC(=O)C(F)C(F)(F)F)CC1 ZINC001151137805 1316457611 /nfs/dbraw/zinc/45/76/11/1316457611.db2.gz KLJRGQWRWVNZEL-GFCCVEGCSA-N 1 2 340.361 2.450 20 30 EEEDLO C=C(C)C[NH+]1CCC(CCOC)(NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001151137805 1316457620 /nfs/dbraw/zinc/45/76/20/1316457620.db2.gz KLJRGQWRWVNZEL-GFCCVEGCSA-N 1 2 340.361 2.450 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccccn1 ZINC001151553261 1316554137 /nfs/dbraw/zinc/55/41/37/1316554137.db2.gz BSPPEJWTSCZQIY-GFCCVEGCSA-N 1 2 326.238 2.430 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1ccccn1 ZINC001151553261 1316554144 /nfs/dbraw/zinc/55/41/44/1316554144.db2.gz BSPPEJWTSCZQIY-GFCCVEGCSA-N 1 2 326.238 2.430 20 30 EEEDLO C#CCC1(C(=O)NCC[NH2+]Cc2nc(CCC)no2)CCCCC1 ZINC001153009735 1316758435 /nfs/dbraw/zinc/75/84/35/1316758435.db2.gz RCVCDAHNMFYINA-UHFFFAOYSA-N 1 2 332.448 2.202 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1coc(C)n1 ZINC001153442099 1316828775 /nfs/dbraw/zinc/82/87/75/1316828775.db2.gz WIMHXJQOIDBDBZ-XYPHTWIQSA-N 1 2 335.448 2.291 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1coc(C)n1 ZINC001153442099 1316828778 /nfs/dbraw/zinc/82/87/78/1316828778.db2.gz WIMHXJQOIDBDBZ-XYPHTWIQSA-N 1 2 335.448 2.291 20 30 EEEDLO C#CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nccn2CC)CCC1 ZINC001153772904 1316878854 /nfs/dbraw/zinc/87/88/54/1316878854.db2.gz FBRWGTWNNQMQBP-MRXNPFEDSA-N 1 2 330.476 2.423 20 30 EEEDLO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nccn2CC)CCC1 ZINC001153772904 1316878856 /nfs/dbraw/zinc/87/88/56/1316878856.db2.gz FBRWGTWNNQMQBP-MRXNPFEDSA-N 1 2 330.476 2.423 20 30 EEEDLO C=CCC[C@H](C(=O)NCC[NH2+]Cc1nnc(C)o1)c1ccccc1 ZINC001153817858 1316891412 /nfs/dbraw/zinc/89/14/12/1316891412.db2.gz TVEWZHHANIEPRJ-INIZCTEOSA-N 1 2 328.416 2.334 20 30 EEEDLO COC(=O)[C@H]1C[N@H+](Cc2cnn3ccc(C#N)cc23)Cc2ccccc21 ZINC001249118063 1317004039 /nfs/dbraw/zinc/00/40/39/1317004039.db2.gz AHMMPNTULVSKQN-SFHVURJKSA-N 1 2 346.390 2.478 20 30 EEEDLO COC(=O)[C@H]1C[N@@H+](Cc2cnn3ccc(C#N)cc23)Cc2ccccc21 ZINC001249118063 1317004047 /nfs/dbraw/zinc/00/40/47/1317004047.db2.gz AHMMPNTULVSKQN-SFHVURJKSA-N 1 2 346.390 2.478 20 30 EEEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cn(C(C)(C)C)nn1)C2 ZINC001249482802 1317101702 /nfs/dbraw/zinc/10/17/02/1317101702.db2.gz YBJXLUFZURLFBD-FUHWJXTLSA-N 1 2 334.464 2.359 20 30 EEEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cn(C(C)(C)C)nn1)C2 ZINC001249482802 1317101704 /nfs/dbraw/zinc/10/17/04/1317101704.db2.gz YBJXLUFZURLFBD-FUHWJXTLSA-N 1 2 334.464 2.359 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CCCCc1cn[nH]n1 ZINC001154455427 1317142125 /nfs/dbraw/zinc/14/21/25/1317142125.db2.gz PWZBAHZCERGBMQ-CYBMUJFWSA-N 1 2 327.860 2.097 20 30 EEEDLO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CCCCc1cn[nH]n1 ZINC001154455427 1317142130 /nfs/dbraw/zinc/14/21/30/1317142130.db2.gz PWZBAHZCERGBMQ-CYBMUJFWSA-N 1 2 327.860 2.097 20 30 EEEDLO C#CCOCC[N@@H+](C)Cc1cc2c(cc1Br)OCO2 ZINC001253750149 1317927498 /nfs/dbraw/zinc/92/74/98/1317927498.db2.gz RJKNVBFDBZOXGB-UHFFFAOYSA-N 1 2 326.190 2.259 20 30 EEEDLO C#CCOCC[N@H+](C)Cc1cc2c(cc1Br)OCO2 ZINC001253750149 1317927501 /nfs/dbraw/zinc/92/75/01/1317927501.db2.gz RJKNVBFDBZOXGB-UHFFFAOYSA-N 1 2 326.190 2.259 20 30 EEEDLO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@H]1[NH2+]C ZINC001156657803 1318144350 /nfs/dbraw/zinc/14/43/50/1318144350.db2.gz DLVAGXFWMYBZNH-JTQLQIEISA-N 1 2 344.749 2.084 20 30 EEEDLO COC(=O)c1cc(C#N)cc(NC(=O)c2ccc3[nH+]c(N)[nH]c3c2)c1 ZINC001156975095 1318322207 /nfs/dbraw/zinc/32/22/07/1318322207.db2.gz FIMHRDONWNPMHE-UHFFFAOYSA-N 1 2 335.323 2.056 20 30 EEEDLO C=CCCOCC(=O)NC[C@@H](C)[N@H+](CC)Cc1csc(C)n1 ZINC001157209714 1318490569 /nfs/dbraw/zinc/49/05/69/1318490569.db2.gz GMBUAVUAICEYBC-CYBMUJFWSA-N 1 2 325.478 2.371 20 30 EEEDLO C=CCCOCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1csc(C)n1 ZINC001157209714 1318490571 /nfs/dbraw/zinc/49/05/71/1318490571.db2.gz GMBUAVUAICEYBC-CYBMUJFWSA-N 1 2 325.478 2.371 20 30 EEEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H](C)Cc1ccccn1 ZINC001256413047 1318730501 /nfs/dbraw/zinc/73/05/01/1318730501.db2.gz BNVKZNFJPQNDQS-YJBOKZPZSA-N 1 2 341.459 2.426 20 30 EEEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@@H](C)Cc1ccccn1 ZINC001256413047 1318730509 /nfs/dbraw/zinc/73/05/09/1318730509.db2.gz BNVKZNFJPQNDQS-YJBOKZPZSA-N 1 2 341.459 2.426 20 30 EEEDLO N#Cc1cccc(CN2CCCC3(C[NH+](Cc4cccc(=O)[nH]4)C3)C2)n1 ZINC001278949176 1318793547 /nfs/dbraw/zinc/79/35/47/1318793547.db2.gz LZKSIZMKRXCWJZ-UHFFFAOYSA-N 1 2 349.438 2.152 20 30 EEEDLO Cn1cc(CN2CCC23C[NH+](Cc2ccc4ncoc4c2)C3)cc1C#N ZINC001278952672 1318810590 /nfs/dbraw/zinc/81/05/90/1318810590.db2.gz CBNIZWDCMRCWBU-UHFFFAOYSA-N 1 2 347.422 2.498 20 30 EEEDLO C[C@H]1C[NH+](CCc2nnc(C#Cc3ccc(F)cc3F)o2)C[C@H](C)O1 ZINC001258049002 1319158527 /nfs/dbraw/zinc/15/85/27/1319158527.db2.gz ZKUIMRPSRDEQBT-STQMWFEESA-N 1 2 347.365 2.399 20 30 EEEDLO N#Cc1c[nH]c2nc(N3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)ncc12 ZINC001158621191 1319338559 /nfs/dbraw/zinc/33/85/59/1319338559.db2.gz DQGGJBZZFBGPMK-ZDUSSCGKSA-N 1 2 332.358 2.139 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc3[nH+]ccn3c2)c(Cl)c1 ZINC001259117035 1319447311 /nfs/dbraw/zinc/44/73/11/1319447311.db2.gz LSPZZJZOIJDQAD-UHFFFAOYSA-N 1 2 346.799 2.338 20 30 EEEDLO C[C@H](C#N)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC001159593857 1319905595 /nfs/dbraw/zinc/90/55/95/1319905595.db2.gz KMBVKWDWTILSQN-CHWSQXEVSA-N 1 2 343.431 2.306 20 30 EEEDLO C[C@H](C#N)C(=O)NCCC1=CC[N@H+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC001159593857 1319905598 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N#CCNCCN(CCc1ccccc1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001162840921 1320971679 /nfs/dbraw/zinc/97/16/79/1320971679.db2.gz IKLCRDJINRFDBT-UHFFFAOYSA-N 1 2 347.422 2.361 20 30 EEEDLO N#C[C@@H]1C[NH2+]CCN1c1cc(F)ccc1Oc1ccc(Cl)nn1 ZINC001164662269 1321443519 /nfs/dbraw/zinc/44/35/19/1321443519.db2.gz UMFJXWACCULTSS-LLVKDONJSA-N 1 2 333.754 2.363 20 30 EEEDLO N#Cc1cc(F)cnc1N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001165693934 1321567892 /nfs/dbraw/zinc/56/78/92/1321567892.db2.gz YIEBJWWYCHZSMH-AWEZNQCLSA-N 1 2 341.390 2.352 20 30 EEEDLO COC[C@@]12CCCO[C@@H]1CCN(c1[nH+]ccc3[nH]cc(C#N)c31)C2 ZINC001165955380 1321625949 /nfs/dbraw/zinc/62/59/49/1321625949.db2.gz ZJZOUIKFROGNBJ-QAPCUYQASA-N 1 2 326.400 2.456 20 30 EEEDLO N#CCc1cc[nH+]c(N2CC[C@@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c1 ZINC001166269731 1321689768 /nfs/dbraw/zinc/68/97/68/1321689768.db2.gz NXPKHQHRTRBDGQ-FXAWDEMLSA-N 1 2 347.422 2.075 20 30 EEEDLO C=CCCCC(=O)NCCC1(C[NH2+]Cc2nnn(C(C)(C)C)n2)CC1 ZINC001166910400 1321814470 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20 30 EEEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)on2)C[C@H]1C)OCC ZINC001207255207 1323916592 /nfs/dbraw/zinc/91/65/92/1323916592.db2.gz ICGGLWMBWGFTMO-XYPHTWIQSA-N 1 2 335.448 2.291 20 30 EEEDLO N#Cc1cccc(NC(=O)N2CC3(C2)C[NH+](Cc2cccc(=O)[nH]2)C3)c1 ZINC001279852280 1324015070 /nfs/dbraw/zinc/01/50/70/1324015070.db2.gz WCHBDCCCIHSPJZ-UHFFFAOYSA-N 1 2 349.394 2.009 20 30 EEEDLO CC(C)C#CC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001207995429 1324253506 /nfs/dbraw/zinc/25/35/06/1324253506.db2.gz HXKFLZBYNTVBPE-CQSZACIVSA-N 1 2 332.448 2.107 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC(F)F)C1 ZINC001208010869 1324262951 /nfs/dbraw/zinc/26/29/51/1324262951.db2.gz GNJWKQDDBRQJIR-PSASIEDQSA-N 1 2 325.197 2.377 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC(F)F)C1 ZINC001208010869 1324262957 /nfs/dbraw/zinc/26/29/57/1324262957.db2.gz GNJWKQDDBRQJIR-PSASIEDQSA-N 1 2 325.197 2.377 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CCC[C@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001208013417 1324263806 /nfs/dbraw/zinc/26/38/06/1324263806.db2.gz FGXXEHKYAKHZBF-HNNXBMFYSA-N 1 2 344.459 2.152 20 30 EEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCc2c(F)cccc2C1 ZINC001307587591 1331540986 /nfs/dbraw/zinc/54/09/86/1331540986.db2.gz CDQUVEBHYARQPF-UHFFFAOYSA-N 1 2 348.377 2.483 20 30 EEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCc2c(F)cccc2C1 ZINC001307587591 1331540989 /nfs/dbraw/zinc/54/09/89/1331540989.db2.gz CDQUVEBHYARQPF-UHFFFAOYSA-N 1 2 348.377 2.483 20 30 EEEDLO C#CC[C@H](NC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC001327655040 1334328651 /nfs/dbraw/zinc/32/86/51/1334328651.db2.gz ORNVQTQILFPOKJ-SFHVURJKSA-N 1 2 335.407 2.195 20 30 EEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c(C)nn(CCO)c1C ZINC001329815565 1334720427 /nfs/dbraw/zinc/72/04/27/1334720427.db2.gz WAOPGVATQWJKDM-UHFFFAOYSA-N 1 2 333.432 2.156 20 30 EEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(C)nn(CCO)c1C ZINC001329815565 1334720428 /nfs/dbraw/zinc/72/04/28/1334720428.db2.gz WAOPGVATQWJKDM-UHFFFAOYSA-N 1 2 333.432 2.156 20 30 EEEDLO Cn1cc(C[NH+]2CCC(CC#N)CC2)c(I)n1 ZINC001331565544 1335037847 /nfs/dbraw/zinc/03/78/47/1335037847.db2.gz JUYACCLRTQHTRW-UHFFFAOYSA-N 1 2 344.200 2.150 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(F)cc3C)n2CC=C)CC1 ZINC001339003256 1336943322 /nfs/dbraw/zinc/94/33/22/1336943322.db2.gz FMKWIMAIIJBJOF-UHFFFAOYSA-N 1 2 339.418 2.334 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC(C)=C(C)C1 ZINC001340342995 1337164213 /nfs/dbraw/zinc/16/42/13/1337164213.db2.gz MAGBWHGTSSZTRE-UHFFFAOYSA-N 1 2 345.491 2.215 20 30 EEEDLO C=CCN(c1nnc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC)C1CC1 ZINC001341323190 1337289022 /nfs/dbraw/zinc/28/90/22/1337289022.db2.gz ZWOOJJWVDFACCI-JKSUJKDBSA-N 1 2 331.464 2.379 20 30 EEEDLO C=CCN(c1nnc([C@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC)C1CC1 ZINC001341323190 1337289023 /nfs/dbraw/zinc/28/90/23/1337289023.db2.gz ZWOOJJWVDFACCI-JKSUJKDBSA-N 1 2 331.464 2.379 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC(OCC(F)F)C1 ZINC001343545898 1337336151 /nfs/dbraw/zinc/33/61/51/1337336151.db2.gz IZRCLRPFDKHNNG-CYBMUJFWSA-N 1 2 341.406 2.091 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC(OCC(F)F)C1 ZINC001343545898 1337336149 /nfs/dbraw/zinc/33/61/49/1337336149.db2.gz IZRCLRPFDKHNNG-CYBMUJFWSA-N 1 2 341.406 2.091 20 30 EEEDLO C#CCN(CC)c1nnc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC(C)C ZINC001347358036 1337505640 /nfs/dbraw/zinc/50/56/40/1337505640.db2.gz YTJBEGHIKVXVEW-SJORKVTESA-N 1 2 345.491 2.319 20 30 EEEDLO C#CCN(CC)c1nnc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC(C)C ZINC001347358036 1337505647 /nfs/dbraw/zinc/50/56/47/1337505647.db2.gz YTJBEGHIKVXVEW-SJORKVTESA-N 1 2 345.491 2.319 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCC2CCCCCC2)CC1 ZINC000847446083 1338065014 /nfs/dbraw/zinc/06/50/14/1338065014.db2.gz KZBRTAUITMPJGL-UHFFFAOYSA-N 1 2 347.503 2.021 20 30 EEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCC2CCCCCC2)CC1 ZINC000847446083 1338065017 /nfs/dbraw/zinc/06/50/17/1338065017.db2.gz KZBRTAUITMPJGL-UHFFFAOYSA-N 1 2 347.503 2.021 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848781763 1338762875 /nfs/dbraw/zinc/76/28/75/1338762875.db2.gz NQVZYSJZGNJGKJ-CQSZACIVSA-N 1 2 327.384 2.389 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3O)n2CC)CC1 ZINC001356349471 1338817973 /nfs/dbraw/zinc/81/79/73/1338817973.db2.gz SISINKVXYFVBSM-UHFFFAOYSA-N 1 2 345.834 2.079 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001588401704 1348900849 /nfs/dbraw/zinc/90/08/49/1348900849.db2.gz XCJFKTGRQPSWIV-OZVIIMIRSA-N 1 2 329.404 2.204 20 30 EEEDLO NC(Cc1cccnc1)=[NH+]OCc1ccc(C(=O)N2CCCC2)cc1 ZINC000092915167 1357460814 /nfs/dbraw/zinc/46/08/14/1357460814.db2.gz AQDGPCNZASMUIG-UHFFFAOYSA-N 1 2 338.411 2.349 20 30 EEEDLO COCCN(CCC#N)c1nnc([C@H]2CCCC[N@@H+]2C)n1CC(C)C ZINC001646853105 1353007781 /nfs/dbraw/zinc/00/77/81/1353007781.db2.gz SZBBXMGIEFKXKZ-MRXNPFEDSA-N 1 2 348.495 2.457 20 30 EEEDLO COCCN(CCC#N)c1nnc([C@H]2CCCC[N@H+]2C)n1CC(C)C ZINC001646853105 1353007785 /nfs/dbraw/zinc/00/77/85/1353007785.db2.gz SZBBXMGIEFKXKZ-MRXNPFEDSA-N 1 2 348.495 2.457 20 30 EEEDLO Cc1ccc(OCC(=O)N2CC[NH+](CC3(CC#N)CC3)CC2)cc1 ZINC000602770688 1367401380 /nfs/dbraw/zinc/40/13/80/1367401380.db2.gz XVAZBGOGXUKDBS-UHFFFAOYSA-N 1 2 327.428 2.212 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C)s3)C[C@H]21 ZINC001187225341 1368234774 /nfs/dbraw/zinc/23/47/74/1368234774.db2.gz CSIFUCWXLAZFQM-OWCLPIDISA-N 1 2 349.500 2.465 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C)s3)C[C@H]21 ZINC001187225341 1368234777 /nfs/dbraw/zinc/23/47/77/1368234777.db2.gz CSIFUCWXLAZFQM-OWCLPIDISA-N 1 2 349.500 2.465 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1O ZINC001195333858 1368521820 /nfs/dbraw/zinc/52/18/20/1368521820.db2.gz QHNDJEIXIABURY-QZTJIDSGSA-N 1 2 332.419 2.071 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1O ZINC001195333858 1368521824 /nfs/dbraw/zinc/52/18/24/1368521824.db2.gz QHNDJEIXIABURY-QZTJIDSGSA-N 1 2 332.419 2.071 20 30 EEEDLO CC(C)[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001196550754 1368595583 /nfs/dbraw/zinc/59/55/83/1368595583.db2.gz ULFXZDSVSISPKO-BMGDILEWSA-N 1 2 348.874 2.145 20 30 EEEDLO CC(C)[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001196550754 1368595590 /nfs/dbraw/zinc/59/55/90/1368595590.db2.gz ULFXZDSVSISPKO-BMGDILEWSA-N 1 2 348.874 2.145 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnnn1CC ZINC001110598958 1369130672 /nfs/dbraw/zinc/13/06/72/1369130672.db2.gz UOGVDTVLLKEGDL-BMFZPTHFSA-N 1 2 331.464 2.122 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnnn1CC ZINC001110598958 1369130681 /nfs/dbraw/zinc/13/06/81/1369130681.db2.gz UOGVDTVLLKEGDL-BMFZPTHFSA-N 1 2 331.464 2.122 20 30 EEEDLO N#CC[C@H]1CCC[N@@H+](CN2C(=O)C[C@@]3(CCc4ccccc43)C2=O)C1 ZINC000853523420 1369344917 /nfs/dbraw/zinc/34/49/17/1369344917.db2.gz CZYGQPBGPREGFX-FOIQADDNSA-N 1 2 337.423 2.213 20 30 EEEDLO N#CC[C@H]1CCC[N@H+](CN2C(=O)C[C@@]3(CCc4ccccc43)C2=O)C1 ZINC000853523420 1369344922 /nfs/dbraw/zinc/34/49/22/1369344922.db2.gz CZYGQPBGPREGFX-FOIQADDNSA-N 1 2 337.423 2.213 20 30 EEEDLO C[C@@]1(C2CCCCC2)NC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853526234 1369346418 /nfs/dbraw/zinc/34/64/18/1369346418.db2.gz PEPCOMTUGQRUAE-KDOFPFPSSA-N 1 2 332.448 2.460 20 30 EEEDLO C[C@@]1(C2CCCCC2)NC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853526234 1369346421 /nfs/dbraw/zinc/34/64/21/1369346421.db2.gz PEPCOMTUGQRUAE-KDOFPFPSSA-N 1 2 332.448 2.460 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC1(CC)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001069455023 1370129097 /nfs/dbraw/zinc/12/90/97/1370129097.db2.gz XLMHVABOKDFGGK-INIZCTEOSA-N 1 2 346.475 2.373 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001071261112 1370450194 /nfs/dbraw/zinc/45/01/94/1370450194.db2.gz LPSFTXMNJJOIMT-VQIMIIECSA-N 1 2 346.475 2.373 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC001072196175 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ZINC001104259013 757758844 /nfs/dbraw/zinc/75/88/44/757758844.db2.gz VSMJWWSMMWFFQF-YUSALJHKSA-N 1 2 344.444 2.014 20 30 EEEDLO Cc1cc(C#N)nc(NC[C@@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)n1 ZINC001104263062 757772520 /nfs/dbraw/zinc/77/25/20/757772520.db2.gz AZEQTTHJQWBVTA-NSHDSACASA-N 1 2 349.398 2.011 20 30 EEEDLO CC(C)c1noc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H](C)C#N)n1 ZINC001087136057 759349377 /nfs/dbraw/zinc/34/93/77/759349377.db2.gz JKYJYCNNZMIBIO-RDBSUJKOSA-N 1 2 333.436 2.069 20 30 EEEDLO Cc1nc(NC2(CNC(=O)Cc3c[nH]c[nH+]3)CCCC2)ccc1C#N ZINC001104433993 760793463 /nfs/dbraw/zinc/79/34/63/760793463.db2.gz JUHLDUNSVDCIGS-UHFFFAOYSA-N 1 2 338.415 2.068 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CCCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001112013474 764671896 /nfs/dbraw/zinc/67/18/96/764671896.db2.gz JEZAEKUUSPBDGU-CQSZACIVSA-N 1 2 342.447 2.195 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@@H](C)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001104871355 765473136 /nfs/dbraw/zinc/47/31/36/765473136.db2.gz MZBLDVLOCYCZEL-BPLDGKMQSA-N 1 2 338.415 2.047 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@@H](C)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001104871355 765473142 /nfs/dbraw/zinc/47/31/42/765473142.db2.gz MZBLDVLOCYCZEL-BPLDGKMQSA-N 1 2 338.415 2.047 20 30 EEEDLO CC(C)C[C@H](CNc1ccc(C#N)nc1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001104942714 765627068 /nfs/dbraw/zinc/62/70/68/765627068.db2.gz RJILMTXPLXNVQI-MRXNPFEDSA-N 1 2 340.431 2.252 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1NC(=O)C#CC(C)C ZINC001212234230 769166385 /nfs/dbraw/zinc/16/63/85/769166385.db2.gz RYMNPKHLBNXSJT-IAGOWNOFSA-N 1 2 334.847 2.315 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1NC(=O)C#CC(C)C ZINC001212234230 769166392 /nfs/dbraw/zinc/16/63/92/769166392.db2.gz RYMNPKHLBNXSJT-IAGOWNOFSA-N 1 2 334.847 2.315 20 30 EEEDLO C[C@H](C[C@H](C)Nc1ncc(C#N)cc1F)NC(=O)CCn1cc[nH+]c1 ZINC001089443250 769246194 /nfs/dbraw/zinc/24/61/94/769246194.db2.gz AGRFEMMYNYDSIM-OLZOCXBDSA-N 1 2 344.394 2.074 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)c1ccccn1 ZINC001031506036 769274081 /nfs/dbraw/zinc/27/40/81/769274081.db2.gz JAQJVFFJSVQXOS-UHFFFAOYSA-N 1 2 339.826 2.448 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC(n2cc(C[NH2+]C/C=C\Cl)nn2)C1 ZINC001105249213 769461662 /nfs/dbraw/zinc/46/16/62/769461662.db2.gz ONYUUCGSQMKLCM-YVMONPNESA-N 1 2 349.866 2.272 20 30 EEEDLO Cc1cccc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001031552533 769565890 /nfs/dbraw/zinc/56/58/90/769565890.db2.gz BZISCQLMRDEBJZ-UHFFFAOYSA-N 1 2 338.386 2.263 20 30 EEEDLO C[C@H](C[C@@H](C)Nc1cnc(C#N)cn1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089495108 769862988 /nfs/dbraw/zinc/86/29/88/769862988.db2.gz DSMPIHODIXGUSK-VXGBXAGGSA-N 1 2 349.398 2.234 20 30 EEEDLO C[C@@H](C[C@H](C)Nc1cncc(C#N)n1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089496278 769873458 /nfs/dbraw/zinc/87/34/58/769873458.db2.gz PLTXNXNGFYUJTD-RYUDHWBXSA-N 1 2 349.398 2.234 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccncc2Cl)c1 ZINC001027812635 770413345 /nfs/dbraw/zinc/41/33/45/770413345.db2.gz HVQPVXXLDRQHMM-AWEZNQCLSA-N 1 2 343.818 2.329 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccncc2Cl)c1 ZINC001027812635 770413351 /nfs/dbraw/zinc/41/33/51/770413351.db2.gz HVQPVXXLDRQHMM-AWEZNQCLSA-N 1 2 343.818 2.329 20 30 EEEDLO Cc1cc[nH]c1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031644086 770559197 /nfs/dbraw/zinc/55/91/97/770559197.db2.gz MYMBLHKVQYKTHI-UHFFFAOYSA-N 1 2 326.375 2.196 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060743088 770644950 /nfs/dbraw/zinc/64/49/50/770644950.db2.gz NDLFTMVPQJQRBC-SHTZXODSSA-N 1 2 332.448 2.100 20 30 EEEDLO C=CCn1cccc1C(=O)NCC1C[NH+]([C@H](C)c2ncc(C)o2)C1 ZINC001031733064 774018185 /nfs/dbraw/zinc/01/81/85/774018185.db2.gz KTWCQGCAUWIFCQ-CQSZACIVSA-N 1 2 328.416 2.393 20 30 EEEDLO Cc1noc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001010119446 774175549 /nfs/dbraw/zinc/17/55/49/774175549.db2.gz AFUDXUCMQXNIAD-LBPRGKRZSA-N 1 2 330.413 2.229 20 30 EEEDLO Cc1noc(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001010119446 774175551 /nfs/dbraw/zinc/17/55/51/774175551.db2.gz AFUDXUCMQXNIAD-LBPRGKRZSA-N 1 2 330.413 2.229 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031741159 774187408 /nfs/dbraw/zinc/18/74/08/774187408.db2.gz PNTXZEYROSYUIJ-QAPCUYQASA-N 1 2 345.418 2.060 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2c[nH]cc2C)C1 ZINC000980389929 774488725 /nfs/dbraw/zinc/48/87/25/774488725.db2.gz DKCDXERTQQSGHS-GFCCVEGCSA-N 1 2 326.238 2.378 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2c[nH]cc2C)C1 ZINC000980389929 774488730 /nfs/dbraw/zinc/48/87/30/774488730.db2.gz DKCDXERTQQSGHS-GFCCVEGCSA-N 1 2 326.238 2.378 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2nc(-c3ccco3)sc2C)CC1 ZINC000068444812 774537330 /nfs/dbraw/zinc/53/73/30/774537330.db2.gz DCRXOBMFLZKKEL-UHFFFAOYSA-N 1 2 329.425 2.493 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(OC)no1 ZINC001027936781 774698013 /nfs/dbraw/zinc/69/80/13/774698013.db2.gz MEGPPXKLNVVSKJ-AWEZNQCLSA-N 1 2 344.415 2.065 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(OC)no1 ZINC001027936781 774698015 /nfs/dbraw/zinc/69/80/15/774698015.db2.gz MEGPPXKLNVVSKJ-AWEZNQCLSA-N 1 2 344.415 2.065 20 30 EEEDLO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)nn1C ZINC000980784269 775590657 /nfs/dbraw/zinc/59/06/57/775590657.db2.gz XRIRSFQPTZMJKU-UHFFFAOYSA-N 1 2 343.456 2.010 20 30 EEEDLO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)nn1C ZINC000980784269 775590666 /nfs/dbraw/zinc/59/06/66/775590666.db2.gz XRIRSFQPTZMJKU-UHFFFAOYSA-N 1 2 343.456 2.010 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cscn3)CC2)s1 ZINC000980825583 775744530 /nfs/dbraw/zinc/74/45/30/775744530.db2.gz IDWHMFYRBWJJHZ-UHFFFAOYSA-N 1 2 332.454 2.424 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cscn3)CC2)s1 ZINC000980825583 775744539 /nfs/dbraw/zinc/74/45/39/775744539.db2.gz IDWHMFYRBWJJHZ-UHFFFAOYSA-N 1 2 332.454 2.424 20 30 EEEDLO N#Cc1ccc(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)[nH]1 ZINC000980991868 776246199 /nfs/dbraw/zinc/24/61/99/776246199.db2.gz SBVILIBMOCXSNU-UHFFFAOYSA-N 1 2 332.407 2.086 20 30 EEEDLO N#Cc1ccc(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)[nH]1 ZINC000980991868 776246204 /nfs/dbraw/zinc/24/62/04/776246204.db2.gz SBVILIBMOCXSNU-UHFFFAOYSA-N 1 2 332.407 2.086 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)c(C)s1 ZINC000981001446 776301539 /nfs/dbraw/zinc/30/15/39/776301539.db2.gz JFAAJRKYLXITGH-UHFFFAOYSA-N 1 2 343.456 2.308 20 30 EEEDLO Cc1nc(C[N@H+]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)c(C)s1 ZINC000981001446 776301545 /nfs/dbraw/zinc/30/15/45/776301545.db2.gz JFAAJRKYLXITGH-UHFFFAOYSA-N 1 2 343.456 2.308 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)Cc2cncs2)CC1 ZINC000981392466 777305925 /nfs/dbraw/zinc/30/59/25/777305925.db2.gz CXTJHPWRRUMNAL-UHFFFAOYSA-N 1 2 340.452 2.292 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)Cc2cncs2)CC1 ZINC000981392466 777305928 /nfs/dbraw/zinc/30/59/28/777305928.db2.gz CXTJHPWRRUMNAL-UHFFFAOYSA-N 1 2 340.452 2.292 20 30 EEEDLO CC(C)c1noc([C@@H](C)[N@@H+]2CCCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC000981669245 777947297 /nfs/dbraw/zinc/94/72/97/777947297.db2.gz JOWKQFFKOUHQDE-UONOGXRCSA-N 1 2 345.447 2.338 20 30 EEEDLO CC(C)c1noc([C@@H](C)[N@H+]2CCCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC000981669245 777947308 /nfs/dbraw/zinc/94/73/08/777947308.db2.gz JOWKQFFKOUHQDE-UONOGXRCSA-N 1 2 345.447 2.338 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CCC(C)C)nn1 ZINC001028128420 778267411 /nfs/dbraw/zinc/26/74/11/778267411.db2.gz CWFKXFUKZDPUKM-CQSZACIVSA-N 1 2 339.871 2.271 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(CCC(C)C)nn1 ZINC001028128420 778267415 /nfs/dbraw/zinc/26/74/15/778267415.db2.gz CWFKXFUKZDPUKM-CQSZACIVSA-N 1 2 339.871 2.271 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001028149326 778499943 /nfs/dbraw/zinc/49/99/43/778499943.db2.gz CJHZRKXPWYZKQF-SYQHCUMBSA-N 1 2 343.265 2.043 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001028149326 778499947 /nfs/dbraw/zinc/49/99/47/778499947.db2.gz CJHZRKXPWYZKQF-SYQHCUMBSA-N 1 2 343.265 2.043 20 30 EEEDLO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3c4cn[nH]c4CC[C@H]3C)C2)C1 ZINC000981899461 778504454 /nfs/dbraw/zinc/50/44/54/778504454.db2.gz KLPCGWFKRQJUIU-RHSMWYFYSA-N 1 2 328.460 2.186 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[N@@H+](CC(=O)N3CCC[C@H](C)C3)CC2)C1 ZINC000981918447 778531616 /nfs/dbraw/zinc/53/16/16/778531616.db2.gz XWPFUKNWYYDXGV-INIZCTEOSA-N 1 2 347.503 2.136 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[N@H+](CC(=O)N3CCC[C@H](C)C3)CC2)C1 ZINC000981918447 778531619 /nfs/dbraw/zinc/53/16/19/778531619.db2.gz XWPFUKNWYYDXGV-INIZCTEOSA-N 1 2 347.503 2.136 20 30 EEEDLO Cc1cnoc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001028238664 779516111 /nfs/dbraw/zinc/51/61/11/779516111.db2.gz SJUSYYQBTATYOJ-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cnoc1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001028238664 779516114 /nfs/dbraw/zinc/51/61/14/779516114.db2.gz SJUSYYQBTATYOJ-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C1CCC(C(=O)NCC2C[NH+](Cc3cccnc3OC)C2)CC1 ZINC001031951226 780528215 /nfs/dbraw/zinc/52/82/15/780528215.db2.gz FBOLVFAQCGZDQL-UHFFFAOYSA-N 1 2 329.444 2.385 20 30 EEEDLO N#Cc1ccc(CN2CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c(F)c1 ZINC001030527768 790828196 /nfs/dbraw/zinc/82/81/96/790828196.db2.gz TYDFHLBJTJSFNH-UHFFFAOYSA-N 1 2 349.369 2.188 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](n2cc(C[NH2+]C/C=C/Cl)nn2)C1 ZINC001098697969 781448569 /nfs/dbraw/zinc/44/85/69/781448569.db2.gz MXJUWSCAWKHXQS-DYLGSBMWSA-N 1 2 337.855 2.106 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H](C)CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)n1 ZINC001098267599 781455744 /nfs/dbraw/zinc/45/57/44/781455744.db2.gz DTEBJIGIEXENSC-GXTWGEPZSA-N 1 2 338.415 2.022 20 30 EEEDLO C=CCOc1ccc(C(=O)NC2C[NH+](C[C@@H]3CC[C@@H](C)O3)C2)cc1 ZINC001030541319 790900289 /nfs/dbraw/zinc/90/02/89/790900289.db2.gz KPQQMRRILCNGBE-KDOFPFPSSA-N 1 2 330.428 2.233 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(C)o2)[C@@H]1CC ZINC001087576846 781874286 /nfs/dbraw/zinc/87/42/86/781874286.db2.gz GKURUNPZPLUCQP-TWMKSMIVSA-N 1 2 347.459 2.433 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)o2)[C@@H]1CC ZINC001087576846 781874295 /nfs/dbraw/zinc/87/42/95/781874295.db2.gz GKURUNPZPLUCQP-TWMKSMIVSA-N 1 2 347.459 2.433 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2coc(C)n2)[C@@H]1CC ZINC001087576445 781874675 /nfs/dbraw/zinc/87/46/75/781874675.db2.gz IIIAJERKHFQEBG-XDNAFOTISA-N 1 2 347.459 2.433 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2coc(C)n2)[C@@H]1CC ZINC001087576445 781874685 /nfs/dbraw/zinc/87/46/85/781874685.db2.gz IIIAJERKHFQEBG-XDNAFOTISA-N 1 2 347.459 2.433 20 30 EEEDLO CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001131798100 783252652 /nfs/dbraw/zinc/25/26/52/783252652.db2.gz QPVGKBIWIQSULR-CZUORRHYSA-N 1 2 333.407 2.203 20 30 EEEDLO CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001131798100 783252661 /nfs/dbraw/zinc/25/26/61/783252661.db2.gz QPVGKBIWIQSULR-CZUORRHYSA-N 1 2 333.407 2.203 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCCCC[C@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001088281460 783352700 /nfs/dbraw/zinc/35/27/00/783352700.db2.gz NMYSRGJNODHUSH-HIFRSBDPSA-N 1 2 345.447 2.043 20 30 EEEDLO C[C@H](C[C@H](C)NC(=O)c1[nH]ncc1F)[NH2+]Cc1cc(C#N)ccc1F ZINC001135408386 783722401 /nfs/dbraw/zinc/72/24/01/783722401.db2.gz WZJBDMOEESAHBG-MNOVXSKESA-N 1 2 347.369 2.246 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NC[C@H]1C[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091502785 790993272 /nfs/dbraw/zinc/99/32/72/790993272.db2.gz XJMPZOOXCAMXTK-AYRXBEOTSA-N 1 2 346.479 2.011 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCN(C)c3ccccc32)C1 ZINC001035397075 784443532 /nfs/dbraw/zinc/44/35/32/784443532.db2.gz VOAAQWDVLFSDIE-FUHWJXTLSA-N 1 2 343.471 2.003 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCN(C)c3ccccc32)C1 ZINC001035397075 784443533 /nfs/dbraw/zinc/44/35/33/784443533.db2.gz VOAAQWDVLFSDIE-FUHWJXTLSA-N 1 2 343.471 2.003 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001035400184 784446391 /nfs/dbraw/zinc/44/63/91/784446391.db2.gz LZYVNAXLDIQWPC-OTWHNJEPSA-N 1 2 344.455 2.157 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001035400184 784446397 /nfs/dbraw/zinc/44/63/97/784446397.db2.gz LZYVNAXLDIQWPC-OTWHNJEPSA-N 1 2 344.455 2.157 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001035378631 784455753 /nfs/dbraw/zinc/45/57/53/784455753.db2.gz YWIXLGQVBZFIMO-KRWDZBQOSA-N 1 2 332.444 2.319 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001035378631 784455760 /nfs/dbraw/zinc/45/57/60/784455760.db2.gz YWIXLGQVBZFIMO-KRWDZBQOSA-N 1 2 332.444 2.319 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(-c3cccs3)on2)C1 ZINC001035466825 784590755 /nfs/dbraw/zinc/59/07/55/784590755.db2.gz OYYBOWMAYBZETP-CYBMUJFWSA-N 1 2 347.440 2.410 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(-c3cccs3)on2)C1 ZINC001035466825 784590764 /nfs/dbraw/zinc/59/07/64/784590764.db2.gz OYYBOWMAYBZETP-CYBMUJFWSA-N 1 2 347.440 2.410 20 30 EEEDLO C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2ncccc2C#N)C1)n1cc[nH+]c1 ZINC001091517822 791050861 /nfs/dbraw/zinc/05/08/61/791050861.db2.gz PSZSQWMIPBFHHO-IIAWOOMASA-N 1 2 338.415 2.108 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccncc2C(F)(F)F)C1 ZINC001035564589 784741770 /nfs/dbraw/zinc/74/17/70/784741770.db2.gz XPZUCJXSYIMTQV-GFCCVEGCSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccncc2C(F)(F)F)C1 ZINC001035564589 784741773 /nfs/dbraw/zinc/74/17/73/784741773.db2.gz XPZUCJXSYIMTQV-GFCCVEGCSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001035616200 784855213 /nfs/dbraw/zinc/85/52/13/784855213.db2.gz GVPQYWVECBKPNE-INIZCTEOSA-N 1 2 328.456 2.490 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001035616200 784855220 /nfs/dbraw/zinc/85/52/20/784855220.db2.gz GVPQYWVECBKPNE-INIZCTEOSA-N 1 2 328.456 2.490 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC001035618035 784859332 /nfs/dbraw/zinc/85/93/32/784859332.db2.gz BZOMMJHVGCPUIP-INIZCTEOSA-N 1 2 325.412 2.298 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC001035618035 784859337 /nfs/dbraw/zinc/85/93/37/784859337.db2.gz BZOMMJHVGCPUIP-INIZCTEOSA-N 1 2 325.412 2.298 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCO[C@@H]1C)CC2 ZINC001035691312 784948521 /nfs/dbraw/zinc/94/85/21/784948521.db2.gz KONOYBDWWYQASJ-HUUCEWRRSA-N 1 2 326.868 2.478 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1c[nH]c(=O)cc1C)CC2 ZINC001035794031 785143122 /nfs/dbraw/zinc/14/31/22/785143122.db2.gz UMRASCIUNWBSQK-UHFFFAOYSA-N 1 2 335.835 2.386 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1nccn3ccnc13)CC2 ZINC001035798560 785150787 /nfs/dbraw/zinc/15/07/87/785150787.db2.gz OPVIZLUMWFPBAG-UHFFFAOYSA-N 1 2 345.834 2.020 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CCCc3[nH]ncc32)CC1(C)C ZINC000995794960 785683498 /nfs/dbraw/zinc/68/34/98/785683498.db2.gz GLOBSWBCRZRLFI-WFASDCNBSA-N 1 2 336.867 2.409 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]([NH2+]Cc3nc(CC)no3)C(C)(C)C2)C1 ZINC000996270045 786182264 /nfs/dbraw/zinc/18/22/64/786182264.db2.gz YJSNZPYNXWTUOW-CYBMUJFWSA-N 1 2 332.448 2.315 20 30 EEEDLO N#Cc1cnc(NC/C=C\CNC(=O)CCc2[nH]cc[nH+]2)c(Cl)c1 ZINC001107174155 786223925 /nfs/dbraw/zinc/22/39/25/786223925.db2.gz WXKJKSHSFIGWBD-UPHRSURJSA-N 1 2 344.806 2.047 20 30 EEEDLO CCCc1nc(C[NH2+]C[C@@H]2[C@@H](C)CCCN2C(=O)C#CC2CC2)no1 ZINC001036549840 786644962 /nfs/dbraw/zinc/64/49/62/786644962.db2.gz LIZJHOZCQOQORG-GOEBONIOSA-N 1 2 344.459 2.152 20 30 EEEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnc(-c2ccccc2)o1 ZINC001032318807 787242520 /nfs/dbraw/zinc/24/25/20/787242520.db2.gz YYWLUPAOVDSXGQ-BPUTZDHNSA-N 1 2 336.395 2.286 20 30 EEEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnc(-c2ccccc2)o1 ZINC001032318807 787242523 /nfs/dbraw/zinc/24/25/23/787242523.db2.gz YYWLUPAOVDSXGQ-BPUTZDHNSA-N 1 2 336.395 2.286 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC/C=C\CNc1[nH+]cnc2c1cnn2C ZINC001107462707 787312823 /nfs/dbraw/zinc/31/28/23/787312823.db2.gz VPNYMRLSRHWDMQ-SZZPACECSA-N 1 2 328.420 2.050 20 30 EEEDLO Cc1cc(N(C)C[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001062096062 787377219 /nfs/dbraw/zinc/37/72/19/787377219.db2.gz GFABMLDAXQFDID-OCCSQVGLSA-N 1 2 327.432 2.107 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnnn1CC ZINC001109634815 805783293 /nfs/dbraw/zinc/78/32/93/805783293.db2.gz YOLVKCAZTBWYMW-FSDCSDTHSA-N 1 2 331.464 2.122 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnnn1CC ZINC001109634815 805783302 /nfs/dbraw/zinc/78/33/02/805783302.db2.gz YOLVKCAZTBWYMW-FSDCSDTHSA-N 1 2 331.464 2.122 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(C(C)(C)C)nn1)C2 ZINC001111650652 787430736 /nfs/dbraw/zinc/43/07/36/787430736.db2.gz ZTFJLGMHINGJGF-KXBFYZLASA-N 1 2 345.491 2.470 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(C(C)(C)C)nn1)C2 ZINC001111650652 787430748 /nfs/dbraw/zinc/43/07/48/787430748.db2.gz ZTFJLGMHINGJGF-KXBFYZLASA-N 1 2 345.491 2.470 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C(C)C)C2 ZINC001109636471 805812352 /nfs/dbraw/zinc/81/23/52/805812352.db2.gz GNVRYAHGBDVKKF-KBMXLJTQSA-N 1 2 345.443 2.040 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C(C)C)C2 ZINC001109636471 805812360 /nfs/dbraw/zinc/81/23/60/805812360.db2.gz GNVRYAHGBDVKKF-KBMXLJTQSA-N 1 2 345.443 2.040 20 30 EEEDLO Cn1cc[nH+]c1CCC(=O)NC/C=C\CNc1cccc(F)c1C#N ZINC001107602516 787870585 /nfs/dbraw/zinc/87/05/85/787870585.db2.gz KUNOZSWUUZNBHK-IHWYPQMZSA-N 1 2 341.390 2.148 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)C1CC(Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001127070562 788339164 /nfs/dbraw/zinc/33/91/64/788339164.db2.gz NZLABMLRUWZPCW-WTNGLUPJSA-N 1 2 346.479 2.250 20 30 EEEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000824978063 788385876 /nfs/dbraw/zinc/38/58/76/788385876.db2.gz RSWZNOKCHOHEOF-QAPCUYQASA-N 1 2 348.468 2.378 20 30 EEEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000824978063 788385883 /nfs/dbraw/zinc/38/58/83/788385883.db2.gz RSWZNOKCHOHEOF-QAPCUYQASA-N 1 2 348.468 2.378 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@H](O)C1 ZINC001090841122 788539245 /nfs/dbraw/zinc/53/92/45/788539245.db2.gz KGNBBBBEIDWKCC-QWHCGFSZSA-N 1 2 328.884 2.363 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@H](O)C1 ZINC001090841122 788539252 /nfs/dbraw/zinc/53/92/52/788539252.db2.gz KGNBBBBEIDWKCC-QWHCGFSZSA-N 1 2 328.884 2.363 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001077723050 788674859 /nfs/dbraw/zinc/67/48/59/788674859.db2.gz OCLKQBXLSQMBCR-LSDHHAIUSA-N 1 2 346.475 2.059 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001077723530 788677898 /nfs/dbraw/zinc/67/78/98/788677898.db2.gz ZTAQSLQCGZWKCE-RRFJBIMHSA-N 1 2 346.475 2.137 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001060262708 789206951 /nfs/dbraw/zinc/20/69/51/789206951.db2.gz ATRYOCJVQFJEEK-MRXNPFEDSA-N 1 2 346.475 2.064 20 30 EEEDLO C=CCCCC(=O)N1CCC(OC2C[NH+](CCOC(C)C)C2)CC1 ZINC001105721454 789245526 /nfs/dbraw/zinc/24/55/26/789245526.db2.gz BHPCPJNGJGEETE-UHFFFAOYSA-N 1 2 338.492 2.460 20 30 EEEDLO COC(=O)c1ccccc1N1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC001144163685 789293714 /nfs/dbraw/zinc/29/37/14/789293714.db2.gz RXIJJQGHDMIEJB-UHFFFAOYSA-N 1 2 336.395 2.062 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)nc1 ZINC001144166588 789334419 /nfs/dbraw/zinc/33/44/19/789334419.db2.gz MAGLZBQWMMGCMG-MRXNPFEDSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)nc1 ZINC001144166588 789334428 /nfs/dbraw/zinc/33/44/28/789334428.db2.gz MAGLZBQWMMGCMG-MRXNPFEDSA-N 1 2 338.386 2.487 20 30 EEEDLO Cc1cc(C[N@@H+]2CCO[C@@](C)(CNC(=O)C#CC(C)C)C2)cs1 ZINC001107926548 789336398 /nfs/dbraw/zinc/33/63/98/789336398.db2.gz JVNREGIMDYYOQE-SFHVURJKSA-N 1 2 334.485 2.423 20 30 EEEDLO Cc1cc(C[N@H+]2CCO[C@@](C)(CNC(=O)C#CC(C)C)C2)cs1 ZINC001107926548 789336406 /nfs/dbraw/zinc/33/64/06/789336406.db2.gz JVNREGIMDYYOQE-SFHVURJKSA-N 1 2 334.485 2.423 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)OCCCCCC)C1 ZINC001107941586 789554326 /nfs/dbraw/zinc/55/43/26/789554326.db2.gz IWGOIFPWKASSQS-AEFFLSMTSA-N 1 2 326.481 2.365 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)OCCCCCC)C1 ZINC001107941586 789554332 /nfs/dbraw/zinc/55/43/32/789554332.db2.gz IWGOIFPWKASSQS-AEFFLSMTSA-N 1 2 326.481 2.365 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2cc(COC)on2)CC1 ZINC001006105337 789639564 /nfs/dbraw/zinc/63/95/64/789639564.db2.gz VGNZQDSDOONWCZ-UHFFFAOYSA-N 1 2 327.812 2.110 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3occc3c2)[C@@H](O)C1 ZINC001090284026 789663778 /nfs/dbraw/zinc/66/37/78/789663778.db2.gz SKPMKWCJJPVBOT-GJZGRUSLSA-N 1 2 334.803 2.350 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3occc3c2)[C@@H](O)C1 ZINC001090284026 789663785 /nfs/dbraw/zinc/66/37/85/789663785.db2.gz SKPMKWCJJPVBOT-GJZGRUSLSA-N 1 2 334.803 2.350 20 30 EEEDLO Cc1oc(NC(=O)COC(=O)C[C@@H](C)n2cc[nH+]c2)c(C#N)c1C ZINC000845277795 789704595 /nfs/dbraw/zinc/70/45/95/789704595.db2.gz JLLBFJXWSNEKAS-SNVBAGLBSA-N 1 2 330.344 2.098 20 30 EEEDLO C=C(C)CONC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000845589752 789883369 /nfs/dbraw/zinc/88/33/69/789883369.db2.gz HXXGTDQSDHDHHF-UHFFFAOYSA-N 1 2 333.436 2.248 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079041598 789892704 /nfs/dbraw/zinc/89/27/04/789892704.db2.gz PFFWFQAWNOUBIW-HZPDHXFCSA-N 1 2 346.475 2.394 20 30 EEEDLO CCn1nnc2c1CC[N@H+]([C@@H](C)Cc1cccc(C#N)c1)[C@@H]2COC ZINC001171210192 790048546 /nfs/dbraw/zinc/04/85/46/790048546.db2.gz QJCXULVOTKUHLM-KBXCAEBGSA-N 1 2 339.443 2.346 20 30 EEEDLO CCn1nnc2c1CC[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)[C@@H]2COC ZINC001171210192 790048550 /nfs/dbraw/zinc/04/85/50/790048550.db2.gz QJCXULVOTKUHLM-KBXCAEBGSA-N 1 2 339.443 2.346 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001106067390 791276625 /nfs/dbraw/zinc/27/66/25/791276625.db2.gz VYCBVHJYSLXLCK-HIFRSBDPSA-N 1 2 346.475 2.155 20 30 EEEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1Nc1cccc(F)c1C#N ZINC001063759900 791629023 /nfs/dbraw/zinc/62/90/23/791629023.db2.gz DCTPCYSLUHIBLJ-IUODEOHRSA-N 1 2 341.390 2.312 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088955089 791725501 /nfs/dbraw/zinc/72/55/01/791725501.db2.gz PWYDWAOLCAQNOW-WBMJQRKESA-N 1 2 342.374 2.387 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088955089 791725506 /nfs/dbraw/zinc/72/55/06/791725506.db2.gz PWYDWAOLCAQNOW-WBMJQRKESA-N 1 2 342.374 2.387 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncccn1)C2 ZINC001147631113 791890152 /nfs/dbraw/zinc/89/01/52/791890152.db2.gz NRBABVQFCQDIPQ-UHFFFAOYSA-N 1 2 326.444 2.279 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncccn1)C2 ZINC001147631113 791890154 /nfs/dbraw/zinc/89/01/54/791890154.db2.gz NRBABVQFCQDIPQ-UHFFFAOYSA-N 1 2 326.444 2.279 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nc(CC)no1)C2 ZINC001148095420 792145569 /nfs/dbraw/zinc/14/55/69/792145569.db2.gz HVJLUMLFNWZRHJ-ZIAGYGMSSA-N 1 2 332.448 2.125 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nc(CC)no1)C2 ZINC001148095420 792145574 /nfs/dbraw/zinc/14/55/74/792145574.db2.gz HVJLUMLFNWZRHJ-ZIAGYGMSSA-N 1 2 332.448 2.125 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(CC)n1C)C2 ZINC001148146841 792187517 /nfs/dbraw/zinc/18/75/17/792187517.db2.gz KHXMTLSRKNYXNP-HNNXBMFYSA-N 1 2 345.491 2.014 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nnc(CC)n1C)C2 ZINC001148146841 792187523 /nfs/dbraw/zinc/18/75/23/792187523.db2.gz KHXMTLSRKNYXNP-HNNXBMFYSA-N 1 2 345.491 2.014 20 30 EEEDLO C=CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nnc(C3CC3)o1)C2 ZINC001148194084 792209119 /nfs/dbraw/zinc/20/91/19/792209119.db2.gz RUSKYNRXIGXFQE-UHFFFAOYSA-N 1 2 330.432 2.338 20 30 EEEDLO C=CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(C3CC3)o1)C2 ZINC001148194084 792209127 /nfs/dbraw/zinc/20/91/27/792209127.db2.gz RUSKYNRXIGXFQE-UHFFFAOYSA-N 1 2 330.432 2.338 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccnc(N(C)C)c2)C1 ZINC001032617704 792412951 /nfs/dbraw/zinc/41/29/51/792412951.db2.gz NZLAFWNNQHMUDL-IRXDYDNUSA-N 1 2 340.471 2.289 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccnc(N(C)C)c2)C1 ZINC001032617704 792412957 /nfs/dbraw/zinc/41/29/57/792412957.db2.gz NZLAFWNNQHMUDL-IRXDYDNUSA-N 1 2 340.471 2.289 20 30 EEEDLO C=CCCC(=O)NC[C@H]1C[N@H+](Cc2ccncc2Cl)CCCO1 ZINC001149330614 792854070 /nfs/dbraw/zinc/85/40/70/792854070.db2.gz LXNCMDBAUCZEOX-HNNXBMFYSA-N 1 2 337.851 2.408 20 30 EEEDLO C=CCCC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2Cl)CCCO1 ZINC001149330614 792854078 /nfs/dbraw/zinc/85/40/78/792854078.db2.gz LXNCMDBAUCZEOX-HNNXBMFYSA-N 1 2 337.851 2.408 20 30 EEEDLO Cc1nnc([C@@H](C)[N@H+](C)C[C@@H]2CCCCN2C(=O)C#CC2CC2)o1 ZINC001089174579 793073413 /nfs/dbraw/zinc/07/34/13/793073413.db2.gz FQUCUQNOYYJXSJ-CJNGLKHVSA-N 1 2 330.432 2.165 20 30 EEEDLO Cc1nnc([C@@H](C)[N@@H+](C)C[C@@H]2CCCCN2C(=O)C#CC2CC2)o1 ZINC001089174579 793073429 /nfs/dbraw/zinc/07/34/29/793073429.db2.gz FQUCUQNOYYJXSJ-CJNGLKHVSA-N 1 2 330.432 2.165 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@@H](C)[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001089183585 793206469 /nfs/dbraw/zinc/20/64/69/793206469.db2.gz LVKGGYHNQLYQAV-GDBMZVCRSA-N 1 2 332.448 2.274 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(C)CCOCCN(C)c1cc[nH+]c(C)n1 ZINC001091901513 793386103 /nfs/dbraw/zinc/38/61/03/793386103.db2.gz BCCXVDGZRPDWPE-SFHVURJKSA-N 1 2 334.464 2.299 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001091980971 793491575 /nfs/dbraw/zinc/49/15/75/793491575.db2.gz IKEWOQTUACCFDC-COXVUDFISA-N 1 2 334.489 2.421 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001091980971 793491578 /nfs/dbraw/zinc/49/15/78/793491578.db2.gz IKEWOQTUACCFDC-COXVUDFISA-N 1 2 334.489 2.421 20 30 EEEDLO C[C@@H]1C[C@H](Nc2ccc(C#N)cn2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001064772675 793706280 /nfs/dbraw/zinc/70/62/80/793706280.db2.gz PGEOZEDWGANUAA-UKRRQHHQSA-N 1 2 338.415 2.101 20 30 EEEDLO C[C@H]1C[C@H](Nc2ncccc2C#N)CCN1C(=O)CCn1cc[nH+]c1 ZINC001064817874 793784202 /nfs/dbraw/zinc/78/42/02/793784202.db2.gz XNHSOYHPBNUANI-GOEBONIOSA-N 1 2 338.415 2.031 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C1(C3CC3)CCC1)c1nccn12 ZINC001092381347 793876001 /nfs/dbraw/zinc/87/60/01/793876001.db2.gz UDOSVNGHJNMPLG-HNNXBMFYSA-N 1 2 326.444 2.221 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(F)c1F)c1nccn12 ZINC001092391349 793889258 /nfs/dbraw/zinc/88/92/58/793889258.db2.gz UYDJQEADIPJMBN-CQSZACIVSA-N 1 2 344.365 2.233 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3ccccn3c1)c1nccn12 ZINC001092397148 793895944 /nfs/dbraw/zinc/89/59/44/793895944.db2.gz RDPGAGUVUNLLAH-KRWDZBQOSA-N 1 2 347.422 2.208 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@]1(C)CC=CCC1)c1nccn12 ZINC001092369552 793914427 /nfs/dbraw/zinc/91/44/27/793914427.db2.gz DSQQNPHAUZYGLR-QAPCUYQASA-N 1 2 326.444 2.387 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)noc2C(C)C)[C@H](O)C1 ZINC001090332710 793964746 /nfs/dbraw/zinc/96/47/46/793964746.db2.gz CPEPALAIECLLCF-QWHCGFSZSA-N 1 2 341.839 2.024 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)noc2C(C)C)[C@H](O)C1 ZINC001090332710 793964755 /nfs/dbraw/zinc/96/47/55/793964755.db2.gz CPEPALAIECLLCF-QWHCGFSZSA-N 1 2 341.839 2.024 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001092983343 794500186 /nfs/dbraw/zinc/50/01/86/794500186.db2.gz BLSUGNDNQRFGNA-YYQUZTFQSA-N 1 2 344.459 2.164 20 30 EEEDLO Cc1nc(N[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C(F)(F)F)cc[nH+]1 ZINC001093112205 794698741 /nfs/dbraw/zinc/69/87/41/794698741.db2.gz GMOIZXGIMCPMSW-CHWSQXEVSA-N 1 2 340.349 2.246 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2F)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588201 794973268 /nfs/dbraw/zinc/97/32/68/794973268.db2.gz BZJSFSFESWRRPE-PIGZYNQJSA-N 1 2 344.365 2.415 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588201 794973270 /nfs/dbraw/zinc/97/32/70/794973270.db2.gz BZJSFSFESWRRPE-PIGZYNQJSA-N 1 2 344.365 2.415 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC(N(CC)C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001079793231 795202284 /nfs/dbraw/zinc/20/22/84/795202284.db2.gz WFJZSSZEQVDIJP-HNNXBMFYSA-N 1 2 344.459 2.250 20 30 EEEDLO C=CCCC(=O)NC1CC2(C1)CC(Nc1nc(N(C)C)nc(C)[nH+]1)C2 ZINC001093425446 795221123 /nfs/dbraw/zinc/22/11/23/795221123.db2.gz YRWYTMXMXLGMDW-UHFFFAOYSA-N 1 2 344.463 2.052 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC(N(CC)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079853721 795281349 /nfs/dbraw/zinc/28/13/49/795281349.db2.gz HHRLWGQWFADWJO-CQSZACIVSA-N 1 2 346.475 2.250 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC(N(CC)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079853721 795281352 /nfs/dbraw/zinc/28/13/52/795281352.db2.gz HHRLWGQWFADWJO-CQSZACIVSA-N 1 2 346.475 2.250 20 30 EEEDLO Cc1ccc(C[NH+]2CC(OC3CCN(C(=O)[C@@H](C)C#N)CC3)C2)cc1 ZINC001093517744 795304267 /nfs/dbraw/zinc/30/42/67/795304267.db2.gz YCPKLPIAIUHBLS-INIZCTEOSA-N 1 2 341.455 2.347 20 30 EEEDLO C=C(C)CCC(=O)N(CC)C1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001079880991 795315645 /nfs/dbraw/zinc/31/56/45/795315645.db2.gz LRLNNQQJZSMADN-UHFFFAOYSA-N 1 2 346.475 2.342 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3cc4c([nH]3)CCC4)CC2)C1 ZINC001093590164 795403093 /nfs/dbraw/zinc/40/30/93/795403093.db2.gz GBEBUOWMJVWQBY-UHFFFAOYSA-N 1 2 343.471 2.385 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cc4c([nH]3)CCCC4)CC2)C1 ZINC001093590575 795403957 /nfs/dbraw/zinc/40/39/57/795403957.db2.gz OPHYURHJTKLJPY-UHFFFAOYSA-N 1 2 343.471 2.385 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3scnc3Cl)CC2)C1 ZINC001093598286 795437969 /nfs/dbraw/zinc/43/79/69/795437969.db2.gz GFBBVNHQEGXVCQ-UHFFFAOYSA-N 1 2 341.864 2.288 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NCCNc3snc(C)c3C#N)ccn12 ZINC001093888340 795767031 /nfs/dbraw/zinc/76/70/31/795767031.db2.gz YDPZFSLUFBPZQU-UHFFFAOYSA-N 1 2 340.412 2.121 20 30 EEEDLO C[C@H](CCNc1ccc(C#N)nc1)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001106582553 795883564 /nfs/dbraw/zinc/88/35/64/795883564.db2.gz NCUZBJLAIQYAKP-IUODEOHRSA-N 1 2 338.415 2.103 20 30 EEEDLO Cc1ccc(C#N)c(NCC[C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC001106592732 795906260 /nfs/dbraw/zinc/90/62/60/795906260.db2.gz JMFFNTHODFPQMN-CABCVRRESA-N 1 2 340.431 2.416 20 30 EEEDLO C[C@H](CC(=O)NCCNc1nc(C#N)c(Cl)s1)n1cc[nH+]c1 ZINC001094167474 795979211 /nfs/dbraw/zinc/97/92/11/795979211.db2.gz CIEFXFQVWNYIAB-SECBINFHSA-N 1 2 338.824 2.044 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3CCC[C@H]3CC)nn2)C1 ZINC001094316851 796083254 /nfs/dbraw/zinc/08/32/54/796083254.db2.gz NRTWNWHPEUMFPL-PBHICJAKSA-N 1 2 331.464 2.153 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3cnccc3n2)C1 ZINC001080507272 796091225 /nfs/dbraw/zinc/09/12/25/796091225.db2.gz CHNICSIKMAFCFQ-BDJLRTHQSA-N 1 2 330.819 2.432 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3cnccc3n2)C1 ZINC001080507272 796091227 /nfs/dbraw/zinc/09/12/27/796091227.db2.gz CHNICSIKMAFCFQ-BDJLRTHQSA-N 1 2 330.819 2.432 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CCCCC3(C)C)nn2)C1 ZINC001094338714 796113201 /nfs/dbraw/zinc/11/32/01/796113201.db2.gz BPVLIZBDRGZEBE-MRXNPFEDSA-N 1 2 331.464 2.153 20 30 EEEDLO C=CCOc1cccnc1C(=O)NC1C[NH+](CCc2cccs2)C1 ZINC001031231523 796243084 /nfs/dbraw/zinc/24/30/84/796243084.db2.gz CCMLMZMPFYWSRO-UHFFFAOYSA-N 1 2 343.452 2.365 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N(C)CCOCCNc1cc[nH+]c(C)n1 ZINC001127388760 796497179 /nfs/dbraw/zinc/49/71/79/796497179.db2.gz CXBMNKNJQDWPSG-UHFFFAOYSA-N 1 2 340.855 2.451 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnc3[nH]cnc3c2)[C@@H]1C ZINC000993411877 796574937 /nfs/dbraw/zinc/57/49/37/796574937.db2.gz KYRCZZNFTBFMRV-WCQYABFASA-N 1 2 333.823 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnc3[nH]cnc3c2)[C@@H]1C ZINC000993411877 796574941 /nfs/dbraw/zinc/57/49/41/796574941.db2.gz KYRCZZNFTBFMRV-WCQYABFASA-N 1 2 333.823 2.293 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnn3ccncc23)[C@H]1C ZINC000993430430 796657503 /nfs/dbraw/zinc/65/75/03/796657503.db2.gz ZDBBJVQLQODLOG-TZMCWYRMSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn3ccncc23)[C@H]1C ZINC000993430430 796657507 /nfs/dbraw/zinc/65/75/07/796657507.db2.gz ZDBBJVQLQODLOG-TZMCWYRMSA-N 1 2 333.823 2.065 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1CC1(C)C ZINC001081535301 796800928 /nfs/dbraw/zinc/80/09/28/796800928.db2.gz YIFAKFUKWRDUHK-DJIMGWMZSA-N 1 2 345.418 2.059 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1CC1(C)C ZINC001081535301 796800935 /nfs/dbraw/zinc/80/09/35/796800935.db2.gz YIFAKFUKWRDUHK-DJIMGWMZSA-N 1 2 345.418 2.059 20 30 EEEDLO C#Cc1ccc(C(=O)NC2CCC(Nc3cc[nH+]c(C)n3)CC2)nc1 ZINC001060599784 796808713 /nfs/dbraw/zinc/80/87/13/796808713.db2.gz VFMUQZRIFOCAFM-UHFFFAOYSA-N 1 2 335.411 2.314 20 30 EEEDLO C[C@H](CCCCNCC#N)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001171942904 796823349 /nfs/dbraw/zinc/82/33/49/796823349.db2.gz URCPKMFENCZVQG-OAHLLOKOSA-N 1 2 325.416 2.274 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc(Cl)n(C)n2)[C@H]1C ZINC000993594411 796854444 /nfs/dbraw/zinc/85/44/44/796854444.db2.gz ZSSLNTTZTWQYPH-MNOVXSKESA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)n(C)n2)[C@H]1C ZINC000993594411 796854447 /nfs/dbraw/zinc/85/44/47/796854447.db2.gz ZSSLNTTZTWQYPH-MNOVXSKESA-N 1 2 331.247 2.409 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000993647307 796870684 /nfs/dbraw/zinc/87/06/84/796870684.db2.gz NHSGTSPBTNMKNV-RDTXWAMCSA-N 1 2 337.427 2.373 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000993647307 796870688 /nfs/dbraw/zinc/87/06/88/796870688.db2.gz NHSGTSPBTNMKNV-RDTXWAMCSA-N 1 2 337.427 2.373 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c(C)nn(C)c3s2)[C@H]1C ZINC000993658493 796917466 /nfs/dbraw/zinc/91/74/66/796917466.db2.gz SJTUDOCHDRKOCF-TZMCWYRMSA-N 1 2 330.457 2.159 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(C)nn(C)c3s2)[C@H]1C ZINC000993658493 796917469 /nfs/dbraw/zinc/91/74/69/796917469.db2.gz SJTUDOCHDRKOCF-TZMCWYRMSA-N 1 2 330.457 2.159 20 30 EEEDLO Cc1ccc(C#N)c(NC2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001060624896 797120741 /nfs/dbraw/zinc/12/07/41/797120741.db2.gz PCNDIKFXEYUDTK-UHFFFAOYSA-N 1 2 338.415 2.067 20 30 EEEDLO Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)nc1 ZINC001172966805 797173475 /nfs/dbraw/zinc/17/34/75/797173475.db2.gz QJQNWVBUZZBULS-KGLIPLIRSA-N 1 2 331.420 2.166 20 30 EEEDLO Cn1c[nH+]c2c1CCN([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172989642 797183596 /nfs/dbraw/zinc/18/35/96/797183596.db2.gz JERLKMJHEVDHMK-KBPBESRZSA-N 1 2 345.447 2.070 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cccnn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000994057570 797266650 /nfs/dbraw/zinc/26/66/50/797266650.db2.gz JBMGFUPKLUBLFO-PBHICJAKSA-N 1 2 335.411 2.131 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cccnn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000994057570 797266652 /nfs/dbraw/zinc/26/66/52/797266652.db2.gz JBMGFUPKLUBLFO-PBHICJAKSA-N 1 2 335.411 2.131 20 30 EEEDLO C#CCO[C@H](C)C(=O)N(CC)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106852724 797418290 /nfs/dbraw/zinc/41/82/90/797418290.db2.gz MNFYLBJQWLOORT-OAHLLOKOSA-N 1 2 332.448 2.207 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095186329 797497320 /nfs/dbraw/zinc/49/73/20/797497320.db2.gz VQKSCFNPABOFRR-HNNXBMFYSA-N 1 2 344.459 2.292 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001095203127 797509305 /nfs/dbraw/zinc/50/93/05/797509305.db2.gz DEWYHDYJEMIYMV-CQSZACIVSA-N 1 2 342.447 2.004 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CCC(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095238236 797572174 /nfs/dbraw/zinc/57/21/74/797572174.db2.gz JYLIPRFDSWOPFC-CQSZACIVSA-N 1 2 342.443 2.104 20 30 EEEDLO C=C(Br)C[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001082525403 797577120 /nfs/dbraw/zinc/57/71/20/797577120.db2.gz OTKXUNPQNLTKTE-FTLITQJKSA-N 1 2 347.150 2.232 20 30 EEEDLO C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C ZINC001082525403 797577127 /nfs/dbraw/zinc/57/71/27/797577127.db2.gz OTKXUNPQNLTKTE-FTLITQJKSA-N 1 2 347.150 2.232 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001054680729 797720091 /nfs/dbraw/zinc/72/00/91/797720091.db2.gz OWRWZFPDNOWCEY-BXKDBHETSA-N 1 2 328.869 2.253 20 30 EEEDLO C#Cc1cc(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc[nH+]1 ZINC001174259552 797732354 /nfs/dbraw/zinc/73/23/54/797732354.db2.gz KJFDPYLYPKKLPL-UHFFFAOYSA-N 1 2 341.436 2.403 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(F)c(Cl)c3)[C@H]2C1 ZINC001083179406 797920511 /nfs/dbraw/zinc/92/05/11/797920511.db2.gz VWMSWHVBWZWLIK-JKSUJKDBSA-N 1 2 336.794 2.028 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(F)c(Cl)c3)[C@H]2C1 ZINC001083179406 797920513 /nfs/dbraw/zinc/92/05/13/797920513.db2.gz VWMSWHVBWZWLIK-JKSUJKDBSA-N 1 2 336.794 2.028 20 30 EEEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)C1CCCC1 ZINC001083938110 797927873 /nfs/dbraw/zinc/92/78/73/797927873.db2.gz VAHHWKPAODIGHM-AHRSYUTCSA-N 1 2 340.467 2.026 20 30 EEEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)C1CCCC1 ZINC001083938110 797927875 /nfs/dbraw/zinc/92/78/75/797927875.db2.gz VAHHWKPAODIGHM-AHRSYUTCSA-N 1 2 340.467 2.026 20 30 EEEDLO C[N@@H+]1CCCn2nc(C(=O)Nc3ccc(F)c(CC#N)c3)cc2C1 ZINC001175094034 797998964 /nfs/dbraw/zinc/99/89/64/797998964.db2.gz DHIUQUVJFZSOAH-UHFFFAOYSA-N 1 2 327.363 2.176 20 30 EEEDLO C[N@H+]1CCCn2nc(C(=O)Nc3ccc(F)c(CC#N)c3)cc2C1 ZINC001175094034 797998967 /nfs/dbraw/zinc/99/89/67/797998967.db2.gz DHIUQUVJFZSOAH-UHFFFAOYSA-N 1 2 327.363 2.176 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccncc3)[C@@H]2C1 ZINC001084150675 798000909 /nfs/dbraw/zinc/00/09/09/798000909.db2.gz ANMZMNKUIPXSCA-RTBURBONSA-N 1 2 332.407 2.300 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccncc3)[C@@H]2C1 ZINC001084150675 798000915 /nfs/dbraw/zinc/00/09/15/798000915.db2.gz ANMZMNKUIPXSCA-RTBURBONSA-N 1 2 332.407 2.300 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110182830 798037963 /nfs/dbraw/zinc/03/79/63/798037963.db2.gz BHOHRAOGZFSYLU-OAOYMFHYSA-N 1 2 339.439 2.371 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110182830 798037968 /nfs/dbraw/zinc/03/79/68/798037968.db2.gz BHOHRAOGZFSYLU-OAOYMFHYSA-N 1 2 339.439 2.371 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cocn4)[C@@H]3C2)ccc1F ZINC001084231042 798093946 /nfs/dbraw/zinc/09/39/46/798093946.db2.gz QEOKHSKJHLEKQX-CXAGYDPISA-N 1 2 340.358 2.032 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cocn4)[C@@H]3C2)ccc1F ZINC001084231042 798093952 /nfs/dbraw/zinc/09/39/52/798093952.db2.gz QEOKHSKJHLEKQX-CXAGYDPISA-N 1 2 340.358 2.032 20 30 EEEDLO C[NH+]1CCN(c2ccc(Nc3ccc4nn[nH]c4c3)cc2C#N)CC1 ZINC001176002220 798313307 /nfs/dbraw/zinc/31/33/07/798313307.db2.gz IVYBHZPQGQGFCV-UHFFFAOYSA-N 1 2 333.399 2.325 20 30 EEEDLO C[NH+]1CCN(c2ccc(Nc3ccc4n[nH]nc4c3)cc2C#N)CC1 ZINC001176002220 798313310 /nfs/dbraw/zinc/31/33/10/798313310.db2.gz IVYBHZPQGQGFCV-UHFFFAOYSA-N 1 2 333.399 2.325 20 30 EEEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)c3ccn[nH]3)c2C1 ZINC001128217883 798364369 /nfs/dbraw/zinc/36/43/69/798364369.db2.gz IYXFNUQLAKTTSX-UHFFFAOYSA-N 1 2 344.463 2.322 20 30 EEEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)c3ccn[nH]3)c2C1 ZINC001128217883 798364375 /nfs/dbraw/zinc/36/43/75/798364375.db2.gz IYXFNUQLAKTTSX-UHFFFAOYSA-N 1 2 344.463 2.322 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3Cc4cccnc4C3)[C@@H]2C1 ZINC001084798636 798462736 /nfs/dbraw/zinc/46/27/36/798462736.db2.gz WIXHHZGPAKHRQF-HLLBOEOZSA-N 1 2 331.847 2.082 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3Cc4cccnc4C3)[C@@H]2C1 ZINC001084798636 798462738 /nfs/dbraw/zinc/46/27/38/798462738.db2.gz WIXHHZGPAKHRQF-HLLBOEOZSA-N 1 2 331.847 2.082 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)n3nc(C)cc3C)[C@@H]2C1 ZINC001084864274 798514045 /nfs/dbraw/zinc/51/40/45/798514045.db2.gz OUUMNVCGMYEGIA-BZUAXINKSA-N 1 2 336.867 2.346 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)n3nc(C)cc3C)[C@@H]2C1 ZINC001084864274 798514049 /nfs/dbraw/zinc/51/40/49/798514049.db2.gz OUUMNVCGMYEGIA-BZUAXINKSA-N 1 2 336.867 2.346 20 30 EEEDLO Cc1nc(N[C@H]2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)ccc1C#N ZINC001061135662 798523416 /nfs/dbraw/zinc/52/34/16/798523416.db2.gz GWHWUURIKQBIDU-GJZGRUSLSA-N 1 2 338.415 2.067 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C4CC4)o3)[C@H]2C1 ZINC001084906604 798545322 /nfs/dbraw/zinc/54/53/22/798545322.db2.gz ZLMAMGAFTXZRJU-NFAWXSAZSA-N 1 2 328.416 2.134 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@H]2C1 ZINC001084906604 798545326 /nfs/dbraw/zinc/54/53/26/798545326.db2.gz ZLMAMGAFTXZRJU-NFAWXSAZSA-N 1 2 328.416 2.134 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3nonc3C)[C@H]2C1 ZINC001085024016 798617124 /nfs/dbraw/zinc/61/71/24/798617124.db2.gz NUZXMSWJUOYIQD-UWWQBHOKSA-N 1 2 332.448 2.403 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nonc3C)[C@H]2C1 ZINC001085024016 798617126 /nfs/dbraw/zinc/61/71/26/798617126.db2.gz NUZXMSWJUOYIQD-UWWQBHOKSA-N 1 2 332.448 2.403 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](CCOC(C)C)[C@@H]2C1 ZINC001177061209 798721570 /nfs/dbraw/zinc/72/15/70/798721570.db2.gz JMTHUIVICADPRD-SJORKVTESA-N 1 2 338.492 2.315 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](CCOC(C)C)[C@@H]2C1 ZINC001177061209 798721575 /nfs/dbraw/zinc/72/15/75/798721575.db2.gz JMTHUIVICADPRD-SJORKVTESA-N 1 2 338.492 2.315 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCc3ccccc3)C[C@H]21 ZINC001177079497 798732204 /nfs/dbraw/zinc/73/22/04/798732204.db2.gz DCOHQPZARKLNFD-UXHICEINSA-N 1 2 340.467 2.334 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCc3ccccc3)C[C@H]21 ZINC001177079497 798732206 /nfs/dbraw/zinc/73/22/06/798732206.db2.gz DCOHQPZARKLNFD-UXHICEINSA-N 1 2 340.467 2.334 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCCc3cccnc3)C[C@@H]21 ZINC001177119701 798735102 /nfs/dbraw/zinc/73/51/02/798735102.db2.gz OUXJTEMLLNRKAF-OALUTQOASA-N 1 2 343.471 2.282 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCCc3cccnc3)C[C@@H]21 ZINC001177119701 798735108 /nfs/dbraw/zinc/73/51/08/798735108.db2.gz OUXJTEMLLNRKAF-OALUTQOASA-N 1 2 343.471 2.282 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCC(C)C)C[C@@H]21 ZINC001177101737 798750800 /nfs/dbraw/zinc/75/08/00/798750800.db2.gz NYETWEAKDCZQII-ZWKOTPCHSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCC(C)C)C[C@@H]21 ZINC001177101737 798750805 /nfs/dbraw/zinc/75/08/05/798750805.db2.gz NYETWEAKDCZQII-ZWKOTPCHSA-N 1 2 338.492 2.317 20 30 EEEDLO C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)C=C(C)C)C1 ZINC001177500134 798988552 /nfs/dbraw/zinc/98/85/52/798988552.db2.gz SPRZDEBPVZYZMU-UHFFFAOYSA-N 1 2 326.440 2.051 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnnn2C)CCCC1 ZINC001110212647 799057199 /nfs/dbraw/zinc/05/71/99/799057199.db2.gz IBDYNGVCOHXXIE-PVAVHDDUSA-N 1 2 343.475 2.173 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnnn2C)CCCC1 ZINC001110212647 799057204 /nfs/dbraw/zinc/05/72/04/799057204.db2.gz IBDYNGVCOHXXIE-PVAVHDDUSA-N 1 2 343.475 2.173 20 30 EEEDLO COc1ccccc1Cn1c[nH+]cc1CNC(=O)C#Cc1cccnc1 ZINC001177780180 799118611 /nfs/dbraw/zinc/11/86/11/799118611.db2.gz RILFTNYZRIZGPB-UHFFFAOYSA-N 1 2 346.390 2.003 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC(C)C)C2)CC1 ZINC001065682706 799339773 /nfs/dbraw/zinc/33/97/73/799339773.db2.gz MUHMXCHDEZBCGP-QGZVFWFLSA-N 1 2 349.519 2.380 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)/C(C)=C\CC)CC2)C1 ZINC001065704214 799350770 /nfs/dbraw/zinc/35/07/70/799350770.db2.gz KKQOKMGCVWJSRJ-IZTKXNPESA-N 1 2 347.503 2.444 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC001065704609 799351978 /nfs/dbraw/zinc/35/19/78/799351978.db2.gz OHPAXGYPOJPSPU-JVMBSBNBSA-N 1 2 333.476 2.054 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C(CC)CC)CC2)C1 ZINC001065691757 799367034 /nfs/dbraw/zinc/36/70/34/799367034.db2.gz MCHYOHYBGWZZJQ-KRWDZBQOSA-N 1 2 335.492 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC(C)=C(C)C)CC2)C1 ZINC001065695420 799374717 /nfs/dbraw/zinc/37/47/17/799374717.db2.gz VMNDHIDSXOPAPY-GOSISDBHSA-N 1 2 347.503 2.444 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C=C(C)C)CC2)C1 ZINC001065712442 799410719 /nfs/dbraw/zinc/41/07/19/799410719.db2.gz XZBHKTGLNAHQJH-QZTJIDSGSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001108057582 799850856 /nfs/dbraw/zinc/85/08/56/799850856.db2.gz IIJYPVMNJCHPKI-HXUWFJFHSA-N 1 2 339.439 2.484 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001108057582 799850858 /nfs/dbraw/zinc/85/08/58/799850858.db2.gz IIJYPVMNJCHPKI-HXUWFJFHSA-N 1 2 339.439 2.484 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2cncc(N3CCCC3)n2)CC1 ZINC001003744254 800096843 /nfs/dbraw/zinc/09/68/43/800096843.db2.gz BJLIZLACPLFERN-UHFFFAOYSA-N 1 2 349.866 2.024 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)CC2CCCC2)[C@@H](O)C1 ZINC001090035415 800100752 /nfs/dbraw/zinc/10/07/52/800100752.db2.gz XXTKJYOQTTXSIX-MOPGFXCFSA-N 1 2 341.455 2.190 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)CC2CCCC2)[C@@H](O)C1 ZINC001090035415 800100758 /nfs/dbraw/zinc/10/07/58/800100758.db2.gz XXTKJYOQTTXSIX-MOPGFXCFSA-N 1 2 341.455 2.190 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)c1cccn1C ZINC001085490530 800624482 /nfs/dbraw/zinc/62/44/82/800624482.db2.gz ANOYWJSBTNYQSV-SFHVURJKSA-N 1 2 339.414 2.362 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)c1cccn1C ZINC001085490530 800624485 /nfs/dbraw/zinc/62/44/85/800624485.db2.gz ANOYWJSBTNYQSV-SFHVURJKSA-N 1 2 339.414 2.362 20 30 EEEDLO Cc1nc(C)c(C(=O)N(C)[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)o1 ZINC001032981939 800656142 /nfs/dbraw/zinc/65/61/42/800656142.db2.gz VFUZWLATHKVUJR-GOSISDBHSA-N 1 2 337.423 2.489 20 30 EEEDLO Cc1nc(C)c(C(=O)N(C)[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)o1 ZINC001032981939 800656147 /nfs/dbraw/zinc/65/61/47/800656147.db2.gz VFUZWLATHKVUJR-GOSISDBHSA-N 1 2 337.423 2.489 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1)C(=O)[C@H]1CCOC1 ZINC001085507935 800660765 /nfs/dbraw/zinc/66/07/65/800660765.db2.gz PPTMUNRTYVDICX-WMZOPIPTSA-N 1 2 346.858 2.261 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1)C(=O)[C@H]1CCOC1 ZINC001085507935 800660770 /nfs/dbraw/zinc/66/07/70/800660770.db2.gz PPTMUNRTYVDICX-WMZOPIPTSA-N 1 2 346.858 2.261 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001032992173 800709562 /nfs/dbraw/zinc/70/95/62/800709562.db2.gz PAARDYLCXSZPED-MRXNPFEDSA-N 1 2 340.431 2.010 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001032992173 800709564 /nfs/dbraw/zinc/70/95/64/800709564.db2.gz PAARDYLCXSZPED-MRXNPFEDSA-N 1 2 340.431 2.010 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@H]1CCCCO1 ZINC001085545863 800744296 /nfs/dbraw/zinc/74/42/96/800744296.db2.gz QFCFIQIHCVBILU-RTBURBONSA-N 1 2 344.430 2.279 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@H]1CCCCO1 ZINC001085545863 800744300 /nfs/dbraw/zinc/74/43/00/800744300.db2.gz QFCFIQIHCVBILU-RTBURBONSA-N 1 2 344.430 2.279 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001066283675 800877660 /nfs/dbraw/zinc/87/76/60/800877660.db2.gz XHALSFDWRDHWSA-INIZCTEOSA-N 1 2 346.475 2.373 20 30 EEEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001033022972 800877974 /nfs/dbraw/zinc/87/79/74/800877974.db2.gz SEAFIFJFHIRUFF-AWEZNQCLSA-N 1 2 343.818 2.281 20 30 EEEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001033022972 800877979 /nfs/dbraw/zinc/87/79/79/800877979.db2.gz SEAFIFJFHIRUFF-AWEZNQCLSA-N 1 2 343.818 2.281 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C[C@H]2CC[N@H+]2[C@@H](C)c2cnc(C)cn2)c1 ZINC001085809529 801328858 /nfs/dbraw/zinc/32/88/58/801328858.db2.gz GVGGHUKCIONFEP-MAUKXSAKSA-N 1 2 349.438 2.069 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@@H](C)c2cnc(C)cn2)c1 ZINC001085809529 801328861 /nfs/dbraw/zinc/32/88/61/801328861.db2.gz GVGGHUKCIONFEP-MAUKXSAKSA-N 1 2 349.438 2.069 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([NH2+]Cc2nc([C@H](C)OC)no2)C1 ZINC001182841015 801371212 /nfs/dbraw/zinc/37/12/12/801371212.db2.gz DAPKUYYUHJNUHG-DZGCQCFKSA-N 1 2 348.447 2.236 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CSC(C)=O)Cc2ccccc2)CC1 ZINC001183118891 801464932 /nfs/dbraw/zinc/46/49/32/801464932.db2.gz KKAYCHBSQVAZRG-GOSISDBHSA-N 1 2 346.496 2.455 20 30 EEEDLO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1[nH]nnc1-c1ccccc1 ZINC001085987099 801841743 /nfs/dbraw/zinc/84/17/43/801841743.db2.gz UPSFTCYZKCTMNM-HNNXBMFYSA-N 1 2 325.416 2.194 20 30 EEEDLO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1[nH]nnc1-c1ccccc1 ZINC001085987099 801841747 /nfs/dbraw/zinc/84/17/47/801841747.db2.gz UPSFTCYZKCTMNM-HNNXBMFYSA-N 1 2 325.416 2.194 20 30 EEEDLO Cc1[nH]nc(Cl)c1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004445269 802058418 /nfs/dbraw/zinc/05/84/18/802058418.db2.gz GBJNJKCJNYBASZ-CYBMUJFWSA-N 1 2 335.839 2.212 20 30 EEEDLO Cc1[nH]nc(Cl)c1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004445269 802058425 /nfs/dbraw/zinc/05/84/25/802058425.db2.gz GBJNJKCJNYBASZ-CYBMUJFWSA-N 1 2 335.839 2.212 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001066380644 802106548 /nfs/dbraw/zinc/10/65/48/802106548.db2.gz MBGKVBJODWGQLS-MRXNPFEDSA-N 1 2 344.459 2.033 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H]([NH2+]Cc2ncc(CC)o2)C1 ZINC001184638689 802110321 /nfs/dbraw/zinc/11/03/21/802110321.db2.gz VONGUFSYNZASLW-KDOFPFPSSA-N 1 2 335.448 2.156 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc3cccn3cn2)CC1 ZINC001004468609 802150943 /nfs/dbraw/zinc/15/09/43/802150943.db2.gz IBDOBTUTNDTHRA-GOSISDBHSA-N 1 2 337.427 2.174 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc3cccn3cn2)CC1 ZINC001004468609 802150949 /nfs/dbraw/zinc/15/09/49/802150949.db2.gz IBDOBTUTNDTHRA-GOSISDBHSA-N 1 2 337.427 2.174 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccn3ccnc3c2)CC1 ZINC001004485742 802188043 /nfs/dbraw/zinc/18/80/43/802188043.db2.gz SKFHWRPMDOSRQW-KRWDZBQOSA-N 1 2 337.427 2.174 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccn3ccnc3c2)CC1 ZINC001004485742 802188048 /nfs/dbraw/zinc/18/80/48/802188048.db2.gz SKFHWRPMDOSRQW-KRWDZBQOSA-N 1 2 337.427 2.174 20 30 EEEDLO C#CCCCCCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(CC)no2)C1 ZINC001184884724 802226902 /nfs/dbraw/zinc/22/69/02/802226902.db2.gz QDLKANXSTCSYOQ-LSDHHAIUSA-N 1 2 332.448 2.467 20 30 EEEDLO CN(C(=O)c1cc2n(n1)CCC2)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033126480 802234940 /nfs/dbraw/zinc/23/49/40/802234940.db2.gz AREVZFFQJICBEP-SFHVURJKSA-N 1 2 349.438 2.047 20 30 EEEDLO CN(C(=O)c1cc2n(n1)CCC2)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033126480 802234945 /nfs/dbraw/zinc/23/49/45/802234945.db2.gz AREVZFFQJICBEP-SFHVURJKSA-N 1 2 349.438 2.047 20 30 EEEDLO C#CCCCCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001184900466 802241840 /nfs/dbraw/zinc/24/18/40/802241840.db2.gz XGDMJFIQNAYJKV-MRXNPFEDSA-N 1 2 344.459 2.296 20 30 EEEDLO Cc1nn(C)c(Cl)c1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004500447 802250886 /nfs/dbraw/zinc/25/08/86/802250886.db2.gz PDBVPJXSPRXKSQ-AWEZNQCLSA-N 1 2 349.866 2.222 20 30 EEEDLO Cc1nn(C)c(Cl)c1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004500447 802250888 /nfs/dbraw/zinc/25/08/88/802250888.db2.gz PDBVPJXSPRXKSQ-AWEZNQCLSA-N 1 2 349.866 2.222 20 30 EEEDLO CC(C)c1cc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)[nH]n1 ZINC001004553021 802376774 /nfs/dbraw/zinc/37/67/74/802376774.db2.gz PWKRSCPUGIXAQP-QGZVFWFLSA-N 1 2 329.448 2.373 20 30 EEEDLO CC(C)c1cc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)[nH]n1 ZINC001004553021 802376780 /nfs/dbraw/zinc/37/67/80/802376780.db2.gz PWKRSCPUGIXAQP-QGZVFWFLSA-N 1 2 329.448 2.373 20 30 EEEDLO CC1(CC(=O)NC[C@]2(C)C[N@H+](Cc3ccc(C#N)cc3)CCO2)CC1 ZINC001108081224 802702259 /nfs/dbraw/zinc/70/22/59/802702259.db2.gz VPJQFHWIOTWWDZ-HXUWFJFHSA-N 1 2 341.455 2.456 20 30 EEEDLO CC1(CC(=O)NC[C@]2(C)C[N@@H+](Cc3ccc(C#N)cc3)CCO2)CC1 ZINC001108081224 802702262 /nfs/dbraw/zinc/70/22/62/802702262.db2.gz VPJQFHWIOTWWDZ-HXUWFJFHSA-N 1 2 341.455 2.456 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001108267523 802781764 /nfs/dbraw/zinc/78/17/64/802781764.db2.gz CNXNWGAMOHJVBL-SQGPQFPESA-N 1 2 344.455 2.192 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccccc2OC)C1 ZINC001108267523 802781766 /nfs/dbraw/zinc/78/17/66/802781766.db2.gz CNXNWGAMOHJVBL-SQGPQFPESA-N 1 2 344.455 2.192 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC001108275386 802952489 /nfs/dbraw/zinc/95/24/89/802952489.db2.gz BWZSADIUKZUUEX-HBFSDRIKSA-N 1 2 344.455 2.157 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC001108275386 802952496 /nfs/dbraw/zinc/95/24/96/802952496.db2.gz BWZSADIUKZUUEX-HBFSDRIKSA-N 1 2 344.455 2.157 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2C[C@H]([NH2+][C@H](C)c3noc(C)n3)C2)cc1 ZINC001086445433 802981758 /nfs/dbraw/zinc/98/17/58/802981758.db2.gz VTTJMLYMJJRDBR-SRCQZFHVSA-N 1 2 338.411 2.219 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC2(F)F)C1 ZINC001033189434 803017718 /nfs/dbraw/zinc/01/77/18/803017718.db2.gz OMEYCFDZJHYHJT-WDEREUQCSA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC2(F)F)C1 ZINC001033189434 803017727 /nfs/dbraw/zinc/01/77/27/803017727.db2.gz OMEYCFDZJHYHJT-WDEREUQCSA-N 1 2 337.208 2.473 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)c2c(C)noc2C)C1 ZINC001108279672 803058665 /nfs/dbraw/zinc/05/86/65/803058665.db2.gz HUFWOYWODGFJLD-MAUKXSAKSA-N 1 2 335.448 2.178 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)c2c(C)noc2C)C1 ZINC001108279672 803058675 /nfs/dbraw/zinc/05/86/75/803058675.db2.gz HUFWOYWODGFJLD-MAUKXSAKSA-N 1 2 335.448 2.178 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(F)c3ncccc3c2)C1 ZINC001108283885 803160356 /nfs/dbraw/zinc/16/03/56/803160356.db2.gz NIEMZLCJCXXOOM-IBGZPJMESA-N 1 2 343.402 2.381 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(F)c3ncccc3c2)C1 ZINC001108283885 803160360 /nfs/dbraw/zinc/16/03/60/803160360.db2.gz NIEMZLCJCXXOOM-IBGZPJMESA-N 1 2 343.402 2.381 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccccc2NC(=O)CC)C1 ZINC001108291075 803218902 /nfs/dbraw/zinc/21/89/02/803218902.db2.gz IDAVAUQDUJTOJH-LJQANCHMSA-N 1 2 345.443 2.042 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccccc2NC(=O)CC)C1 ZINC001108291075 803218904 /nfs/dbraw/zinc/21/89/04/803218904.db2.gz IDAVAUQDUJTOJH-LJQANCHMSA-N 1 2 345.443 2.042 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccc(C(F)(F)F)n2)C1 ZINC001108299597 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328.456 2.373 20 30 EEEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000792066341 809558581 /nfs/dbraw/zinc/55/85/81/809558581.db2.gz FGANNWDKNMAKPU-QGZVFWFLSA-N 1 2 331.460 2.495 20 30 EEEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000792066341 809558583 /nfs/dbraw/zinc/55/85/83/809558583.db2.gz FGANNWDKNMAKPU-QGZVFWFLSA-N 1 2 331.460 2.495 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC001113710010 809614103 /nfs/dbraw/zinc/61/41/03/809614103.db2.gz BIYKPMKGUIDDBN-INIZCTEOSA-N 1 2 328.456 2.411 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC001113710306 809614131 /nfs/dbraw/zinc/61/41/31/809614131.db2.gz KGFKENVXROAOLI-MRXNPFEDSA-N 1 2 332.444 2.068 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@H](C)N(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001113821860 809851056 /nfs/dbraw/zinc/85/10/56/809851056.db2.gz IHRLHQJZADODEQ-GJZGRUSLSA-N 1 2 345.491 2.008 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@H](C)N(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001113821860 809851059 /nfs/dbraw/zinc/85/10/59/809851059.db2.gz IHRLHQJZADODEQ-GJZGRUSLSA-N 1 2 345.491 2.008 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ocnc2C(F)F)C1 ZINC001086610175 810072575 /nfs/dbraw/zinc/07/25/75/810072575.db2.gz VAVMNKYFTKUICQ-UONOGXRCSA-N 1 2 345.349 2.443 20 30 EEEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ocnc2C(F)F)C1 ZINC001086610175 810072582 /nfs/dbraw/zinc/07/25/82/810072582.db2.gz VAVMNKYFTKUICQ-UONOGXRCSA-N 1 2 345.349 2.443 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3coc(-c4cccs4)n3)C[C@H]21 ZINC001114069185 810301314 /nfs/dbraw/zinc/30/13/14/810301314.db2.gz FQTNPPJRBHJPRM-PBOSXPJTSA-N 1 2 342.424 2.109 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3coc(-c4cccs4)n3)C[C@H]21 ZINC001114069185 810301316 /nfs/dbraw/zinc/30/13/16/810301316.db2.gz FQTNPPJRBHJPRM-PBOSXPJTSA-N 1 2 342.424 2.109 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(C(C)(C)C)n3)C[C@H]21 ZINC001114070069 810302292 /nfs/dbraw/zinc/30/22/92/810302292.db2.gz SOOFPMQYZTVRHL-ZZVYKPCYSA-N 1 2 332.473 2.147 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(C(C)(C)C)n3)C[C@H]21 ZINC001114070069 810302295 /nfs/dbraw/zinc/30/22/95/810302295.db2.gz SOOFPMQYZTVRHL-ZZVYKPCYSA-N 1 2 332.473 2.147 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccn(C4CCCC4)n3)C[C@H]21 ZINC001114199420 810596944 /nfs/dbraw/zinc/59/69/44/810596944.db2.gz UJPPRZDBCYTMKM-RUYXUALKSA-N 1 2 340.471 2.348 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccn(C4CCCC4)n3)C[C@H]21 ZINC001114199420 810596951 /nfs/dbraw/zinc/59/69/51/810596951.db2.gz UJPPRZDBCYTMKM-RUYXUALKSA-N 1 2 340.471 2.348 20 30 EEEDLO CCCC[C@@H](CNc1nc(C)ccc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001114264298 810709740 /nfs/dbraw/zinc/70/97/40/810709740.db2.gz PDKIQDIDDKXYED-INIZCTEOSA-N 1 2 340.431 2.245 20 30 EEEDLO C=C(Cl)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001086626242 811042175 /nfs/dbraw/zinc/04/21/75/811042175.db2.gz CUNYAVZOMBZWQI-DLBZAZTESA-N 1 2 344.846 2.220 20 30 EEEDLO C=CCC[C@@H](C)[N@H+]1Cc2cnn(C3CCN(C(=O)COC)CC3)c2C1 ZINC001130161422 811233759 /nfs/dbraw/zinc/23/37/59/811233759.db2.gz VIBKQLZLDNRRGX-OAHLLOKOSA-N 1 2 346.475 2.363 20 30 EEEDLO C=CCC[C@@H](C)[N@@H+]1Cc2cnn(C3CCN(C(=O)COC)CC3)c2C1 ZINC001130161422 811233763 /nfs/dbraw/zinc/23/37/63/811233763.db2.gz VIBKQLZLDNRRGX-OAHLLOKOSA-N 1 2 346.475 2.363 20 30 EEEDLO C=CCCC(=O)N1C[C@H](c2nnc(C)[nH]2)C2(C[NH+](C[C@@H](F)CC)C2)C1 ZINC001130460950 811702620 /nfs/dbraw/zinc/70/26/20/811702620.db2.gz CZMVPXYGZUMWHC-LSDHHAIUSA-N 1 2 349.454 2.055 20 30 EEEDLO CCCC[C@@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)C(C)C ZINC001131130430 812420857 /nfs/dbraw/zinc/42/08/57/812420857.db2.gz MIOPIMSGFVOBMN-BRWVUGGUSA-N 1 2 345.491 2.290 20 30 EEEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC(CC)CC)C1 ZINC001131316769 812654733 /nfs/dbraw/zinc/65/47/33/812654733.db2.gz VJECMNNENRLWBO-BBWFWOEESA-N 1 2 349.475 2.105 20 30 EEEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC(CC)CC)C1 ZINC001131316769 812654737 /nfs/dbraw/zinc/65/47/37/812654737.db2.gz VJECMNNENRLWBO-BBWFWOEESA-N 1 2 349.475 2.105 20 30 EEEDLO C[C@@H](C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1)n1cccn1 ZINC001437777452 1090358085 /nfs/dbraw/zinc/35/80/85/1090358085.db2.gz AVBKEZIMPZYBBD-HNNXBMFYSA-N 1 2 337.427 2.097 20 30 EEEDLO C[C@@H](C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1)n1cccn1 ZINC001437777452 1090358090 /nfs/dbraw/zinc/35/80/90/1090358090.db2.gz AVBKEZIMPZYBBD-HNNXBMFYSA-N 1 2 337.427 2.097 20 30 EEEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)[C@H](C)C(C)(F)F)CC1 ZINC001437957249 1090550985 /nfs/dbraw/zinc/55/09/85/1090550985.db2.gz GIBBEILRNBTZHY-ZDUSSCGKSA-N 1 2 337.842 2.106 20 30 EEEDLO Cc1cc(C(=O)N(C)CC[N@H+](C)Cc2cc(C#N)ccc2F)no1 ZINC001438848268 1091487666 /nfs/dbraw/zinc/48/76/66/1091487666.db2.gz PQUVSZMMYXJMHE-UHFFFAOYSA-N 1 2 330.363 2.198 20 30 EEEDLO Cc1cc(C(=O)N(C)CC[N@@H+](C)Cc2cc(C#N)ccc2F)no1 ZINC001438848268 1091487669 /nfs/dbraw/zinc/48/76/69/1091487669.db2.gz PQUVSZMMYXJMHE-UHFFFAOYSA-N 1 2 330.363 2.198 20 30 EEEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@H]1CCCCO1 ZINC001438870011 1091510474 /nfs/dbraw/zinc/51/04/74/1091510474.db2.gz XIPLJQSTNIERDD-QGZVFWFLSA-N 1 2 333.407 2.157 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@H]1CCCCO1 ZINC001438870011 1091510478 /nfs/dbraw/zinc/51/04/78/1091510478.db2.gz XIPLJQSTNIERDD-QGZVFWFLSA-N 1 2 333.407 2.157 20 30 EEEDLO CCOc1cc(C(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)on1 ZINC001438895211 1091547540 /nfs/dbraw/zinc/54/75/40/1091547540.db2.gz ANKNSHJLPSMQJW-UHFFFAOYSA-N 1 2 342.399 2.149 20 30 EEEDLO CCOc1cc(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)on1 ZINC001438895211 1091547546 /nfs/dbraw/zinc/54/75/46/1091547546.db2.gz ANKNSHJLPSMQJW-UHFFFAOYSA-N 1 2 342.399 2.149 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cccnc1-n1cccn1 ZINC001440961404 1094218734 /nfs/dbraw/zinc/21/87/34/1094218734.db2.gz YHSDXBWBIDIRTR-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cccnc1-n1cccn1 ZINC001440961404 1094218737 /nfs/dbraw/zinc/21/87/37/1094218737.db2.gz YHSDXBWBIDIRTR-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO CC(C)CO[C@H](C)C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001442372411 1096695997 /nfs/dbraw/zinc/69/59/97/1096695997.db2.gz VYQNWVRRLFVZHF-CQSZACIVSA-N 1 2 335.423 2.306 20 30 EEEDLO CC(C)CO[C@H](C)C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001442372411 1096696001 /nfs/dbraw/zinc/69/60/01/1096696001.db2.gz VYQNWVRRLFVZHF-CQSZACIVSA-N 1 2 335.423 2.306 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)Cc2ccc(C(N)=O)cc2)C1 ZINC001443876109 1098401663 /nfs/dbraw/zinc/40/16/63/1098401663.db2.gz IUNHLCMMILKDHP-INIZCTEOSA-N 1 2 349.862 2.003 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)Cc2ccc(C(N)=O)cc2)C1 ZINC001443876109 1098401665 /nfs/dbraw/zinc/40/16/65/1098401665.db2.gz IUNHLCMMILKDHP-INIZCTEOSA-N 1 2 349.862 2.003 20 30 EEEDLO CCC(CC)C(=O)NCC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001479926746 1099340091 /nfs/dbraw/zinc/34/00/91/1099340091.db2.gz PNRJUUPFZPEWHL-UHFFFAOYSA-N 1 2 342.487 2.228 20 30 EEEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)c1ncccc1F)C1CC1 ZINC001493428041 1108137322 /nfs/dbraw/zinc/13/73/22/1108137322.db2.gz JBBPCYILJJXEQL-UHFFFAOYSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)c1ncccc1F)C1CC1 ZINC001493428041 1108137325 /nfs/dbraw/zinc/13/73/25/1108137325.db2.gz JBBPCYILJJXEQL-UHFFFAOYSA-N 1 2 338.386 2.487 20 30 EEEDLO C=CC[C@H]1CCCN(c2nnc(Cc3[nH+]ccn3C)n2CCOC)C1 ZINC001523639828 1119822048 /nfs/dbraw/zinc/82/20/48/1119822048.db2.gz CEPTXIQBYKSURM-HNNXBMFYSA-N 1 2 344.463 2.041 20 30 EEEDLO CCC[N@H+](CC(=O)NC)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000056508507 214376845 /nfs/dbraw/zinc/37/68/45/214376845.db2.gz RDAZTGDGEAXACR-UHFFFAOYSA-N 1 2 344.459 2.008 20 30 EEEDLO CCC[N@@H+](CC(=O)NC)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000056508507 214376846 /nfs/dbraw/zinc/37/68/46/214376846.db2.gz RDAZTGDGEAXACR-UHFFFAOYSA-N 1 2 344.459 2.008 20 30 EEEDLO CN(C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1)C1CCCCC1 ZINC000101554764 219136029 /nfs/dbraw/zinc/13/60/29/219136029.db2.gz YBRRGTIVQKNEIA-UHFFFAOYSA-N 1 2 340.471 2.471 20 30 EEEDLO CO[C@H]1C[C@@H](C(=O)Nc2cc3c(cc2SC)OCCO3)[N@H+](C)C1 ZINC000329119871 539766915 /nfs/dbraw/zinc/76/69/15/539766915.db2.gz JYNMBXLMHIIEMR-JQWIXIFHSA-N 1 2 338.429 2.487 20 30 EEEDLO CO[C@H]1C[C@@H](C(=O)Nc2cc3c(cc2SC)OCCO3)[N@@H+](C)C1 ZINC000329119871 539766919 /nfs/dbraw/zinc/76/69/19/539766919.db2.gz JYNMBXLMHIIEMR-JQWIXIFHSA-N 1 2 338.429 2.487 20 30 EEEDLO CCOc1cccc(C[NH+]2CCN(CC#N)CC2)c1OC(F)F ZINC000092936147 237043875 /nfs/dbraw/zinc/04/38/75/237043875.db2.gz DYRQKSWPZGMKII-UHFFFAOYSA-N 1 2 325.359 2.328 20 30 EEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(O)CC1 ZINC000108356615 237121082 /nfs/dbraw/zinc/12/10/82/237121082.db2.gz YWXVEJHIDQXCTO-ZDUSSCGKSA-N 1 2 333.457 2.476 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)[nH]1 ZINC000133076236 223386635 /nfs/dbraw/zinc/38/66/35/223386635.db2.gz UCWHYLGHYRWKIJ-UHFFFAOYSA-N 1 2 328.803 2.498 20 30 EEEDLO C[C@@H](NC(=O)C(C)(C)Cc1ccc(C#N)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000455464714 244003354 /nfs/dbraw/zinc/00/33/54/244003354.db2.gz ONHXPZCQECDFRT-HZPDHXFCSA-N 1 2 343.471 2.352 20 30 EEEDLO CN(C)c1cc(NC(=O)N(C)CCC#N)[nH+]cc1Br ZINC000455869802 244096073 /nfs/dbraw/zinc/09/60/73/244096073.db2.gz RMBOECNUWWICKS-UHFFFAOYSA-N 1 2 326.198 2.287 20 30 EEEDLO N#CCc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c(Cl)c1 ZINC000455704627 244063104 /nfs/dbraw/zinc/06/31/04/244063104.db2.gz NSXZDFZPRQKQFC-CQSZACIVSA-N 1 2 348.834 2.344 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000458384555 244808346 /nfs/dbraw/zinc/80/83/46/244808346.db2.gz ACDVIIUONDOTSD-IUODEOHRSA-N 1 2 341.402 2.194 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H](O)c2cccc(Cl)c2)n1 ZINC000491770675 246144430 /nfs/dbraw/zinc/14/44/30/246144430.db2.gz PFNKZVWGQSVQDU-GOSISDBHSA-N 1 2 347.846 2.352 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H](O)c2cccc(Cl)c2)n1 ZINC000491770675 246144436 /nfs/dbraw/zinc/14/44/36/246144436.db2.gz PFNKZVWGQSVQDU-GOSISDBHSA-N 1 2 347.846 2.352 20 30 EEEDLO CCOCCO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000495342633 247127841 /nfs/dbraw/zinc/12/78/41/247127841.db2.gz NLBZSFMIMCWJQC-UHFFFAOYSA-N 1 2 337.420 2.385 20 30 EEEDLO Cc1ccc(C(=O)N2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000268637209 252089621 /nfs/dbraw/zinc/08/96/21/252089621.db2.gz RKZSFGGSCNHMTM-HXUWFJFHSA-N 1 2 349.434 2.358 20 30 EEEDLO CN(C)c1ncc(C[NH+]2CCN(c3ccccc3C#N)CC2)s1 ZINC000271025867 256200416 /nfs/dbraw/zinc/20/04/16/256200416.db2.gz DJQCMJIJAKOYMR-UHFFFAOYSA-N 1 2 327.457 2.403 20 30 EEEDLO COC(=O)C1([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CCCCCC1 ZINC000154792904 533253383 /nfs/dbraw/zinc/25/33/83/533253383.db2.gz BEMLRTZVQWJDRG-MRXNPFEDSA-N 1 2 346.427 2.154 20 30 EEEDLO C#C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000491698328 533262068 /nfs/dbraw/zinc/26/20/68/533262068.db2.gz ANEQVAVAHCJLJF-QZTJIDSGSA-N 1 2 330.403 2.260 20 30 EEEDLO C#C[C@@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000491698328 533262074 /nfs/dbraw/zinc/26/20/74/533262074.db2.gz ANEQVAVAHCJLJF-QZTJIDSGSA-N 1 2 330.403 2.260 20 30 EEEDLO COC(=O)C[NH+]1CCC(Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000181162222 533502599 /nfs/dbraw/zinc/50/25/99/533502599.db2.gz UTNQDDWPBRCSAC-UHFFFAOYSA-N 1 2 331.416 2.395 20 30 EEEDLO N#Cc1ccc([C@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)C(N)=O)cc1 ZINC000115596996 152033707 /nfs/dbraw/zinc/03/37/07/152033707.db2.gz WDZVMKGNHYZFKD-IBGZPJMESA-N 1 2 348.406 2.001 20 30 EEEDLO C[C@H]1CCN(CC(=O)Nc2sccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000245560407 160242935 /nfs/dbraw/zinc/24/29/35/160242935.db2.gz BVZQWEUFMQACIE-GXTWGEPZSA-N 1 2 329.429 2.338 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000122383284 222076886 /nfs/dbraw/zinc/07/68/86/222076886.db2.gz XGCTVJMABJMJHU-SNVBAGLBSA-N 1 2 342.342 2.139 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000122383284 222076887 /nfs/dbraw/zinc/07/68/87/222076887.db2.gz XGCTVJMABJMJHU-SNVBAGLBSA-N 1 2 342.342 2.139 20 30 EEEDLO C[C@@H](c1cccs1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290350129 267005020 /nfs/dbraw/zinc/00/50/20/267005020.db2.gz QBGLFEKGOCCPRC-LBPRGKRZSA-N 1 2 335.454 2.481 20 30 EEEDLO C[C@@H](c1cccs1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290350129 267005021 /nfs/dbraw/zinc/00/50/21/267005021.db2.gz QBGLFEKGOCCPRC-LBPRGKRZSA-N 1 2 335.454 2.481 20 30 EEEDLO N#Cc1ccc(CS(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000288346208 268078556 /nfs/dbraw/zinc/07/85/56/268078556.db2.gz MNHFZEYCYHCRMU-OAHLLOKOSA-N 1 2 330.413 2.338 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCO[C@H]4CCC[C@H]43)C2=O)cc1 ZINC000279052083 269258738 /nfs/dbraw/zinc/25/87/38/269258738.db2.gz AFWBPJGZDRLIFW-SQNIBIBYSA-N 1 2 325.412 2.307 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCO[C@H]4CCC[C@H]43)C2=O)cc1 ZINC000279052083 269258740 /nfs/dbraw/zinc/25/87/40/269258740.db2.gz AFWBPJGZDRLIFW-SQNIBIBYSA-N 1 2 325.412 2.307 20 30 EEEDLO Cc1oc(C#N)cc1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000280636347 269380969 /nfs/dbraw/zinc/38/09/69/269380969.db2.gz ULTDOOFPEMXLTF-UHFFFAOYSA-N 1 2 339.395 2.222 20 30 EEEDLO COC(=O)c1cccc(C[NH2+][C@H](CO)c2cccc(F)c2)c1C#N ZINC000541952190 318119005 /nfs/dbraw/zinc/11/90/05/318119005.db2.gz SAMLLEZPDUTWLR-QGZVFWFLSA-N 1 2 328.343 2.307 20 30 EEEDLO COC(=O)[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C1CCCCC1 ZINC000543543737 318161010 /nfs/dbraw/zinc/16/10/10/318161010.db2.gz BTRIPKOZLHGPJB-AEFFLSMTSA-N 1 2 346.427 2.009 20 30 EEEDLO COc1cc(C#N)ccc1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000546002956 318239841 /nfs/dbraw/zinc/23/98/41/318239841.db2.gz HETJUPKMXVGECJ-ZDUSSCGKSA-N 1 2 325.372 2.322 20 30 EEEDLO C[C@H]1CCC[C@H](Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)C1 ZINC000563437729 319011473 /nfs/dbraw/zinc/01/14/73/319011473.db2.gz BLCRJXUGHBSNQB-HOTGVXAUSA-N 1 2 329.444 2.378 20 30 EEEDLO COC(=O)c1cccc(C[NH+]2CCN(c3ccccc3C#N)CC2)n1 ZINC000567068146 319345507 /nfs/dbraw/zinc/34/55/07/319345507.db2.gz DBYASDXCNDBLFA-UHFFFAOYSA-N 1 2 336.395 2.062 20 30 EEEDLO COc1cc(CNC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)ccc1C#N ZINC000583117163 324594460 /nfs/dbraw/zinc/59/44/60/324594460.db2.gz WTXYDGJJESPWRK-MRXNPFEDSA-N 1 2 339.399 2.251 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361650 462947225 /nfs/dbraw/zinc/94/72/25/462947225.db2.gz PBTGFZPVZYFYID-HNNXBMFYSA-N 1 2 339.457 2.269 20 30 EEEDLO C=CC[N@H+](Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361650 462947232 /nfs/dbraw/zinc/94/72/32/462947232.db2.gz PBTGFZPVZYFYID-HNNXBMFYSA-N 1 2 339.457 2.269 20 30 EEEDLO CC[C@H](C(=O)N[C@@H]1c2ccccc2C[C@@H]1O)[N@@H+]1CCO[C@H](CC)C1 ZINC000328793413 465129689 /nfs/dbraw/zinc/12/96/89/465129689.db2.gz RVETXFHWOJQHOV-NRSFXHEJSA-N 1 2 332.444 2.491 20 30 EEEDLO CC[C@H](C(=O)N[C@@H]1c2ccccc2C[C@@H]1O)[N@H+]1CCO[C@H](CC)C1 ZINC000328793413 465129696 /nfs/dbraw/zinc/12/96/96/465129696.db2.gz RVETXFHWOJQHOV-NRSFXHEJSA-N 1 2 332.444 2.491 20 30 EEEDLO CC(C)N1CCC[C@@H]([N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1=O ZINC000328912509 465165189 /nfs/dbraw/zinc/16/51/89/465165189.db2.gz PAWYEJRLQNOYNP-MSOLQXFVSA-N 1 2 327.428 2.331 20 30 EEEDLO CC(C)N1CCC[C@@H]([N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1=O ZINC000328912509 465165194 /nfs/dbraw/zinc/16/51/94/465165194.db2.gz PAWYEJRLQNOYNP-MSOLQXFVSA-N 1 2 327.428 2.331 20 30 EEEDLO CC[C@H](C(=O)N(CCC#N)Cc1ccco1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339254969 465169470 /nfs/dbraw/zinc/16/94/70/465169470.db2.gz KVJMHWDUHMLRBX-NVXWUHKLSA-N 1 2 333.432 2.411 20 30 EEEDLO CC[C@H](C(=O)N(CCC#N)Cc1ccco1)[N@H+]1CCO[C@H](CC)C1 ZINC000339254969 465169477 /nfs/dbraw/zinc/16/94/77/465169477.db2.gz KVJMHWDUHMLRBX-NVXWUHKLSA-N 1 2 333.432 2.411 20 30 EEEDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3(c4ccccc4)CCC3)CC[C@@H]21 ZINC000328971038 465186511 /nfs/dbraw/zinc/18/65/11/465186511.db2.gz ORFHKVQBYMMCKT-CVEARBPZSA-N 1 2 342.443 2.325 20 30 EEEDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)NC3(c4ccccc4)CCC3)CC[C@@H]21 ZINC000328971038 465186514 /nfs/dbraw/zinc/18/65/14/465186514.db2.gz ORFHKVQBYMMCKT-CVEARBPZSA-N 1 2 342.443 2.325 20 30 EEEDLO COc1ccccc1NC(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000329054334 465218326 /nfs/dbraw/zinc/21/83/26/465218326.db2.gz XKHQYTRXRPRBIJ-CABCVRRESA-N 1 2 346.431 2.364 20 30 EEEDLO COc1ccccc1NC(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000329054334 465218329 /nfs/dbraw/zinc/21/83/29/465218329.db2.gz XKHQYTRXRPRBIJ-CABCVRRESA-N 1 2 346.431 2.364 20 30 EEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)NC1CCCC1 ZINC000329155966 465250009 /nfs/dbraw/zinc/25/00/09/465250009.db2.gz CMSHONGMPQJZOI-HOCLYGCPSA-N 1 2 337.443 2.121 20 30 EEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)NC1CCCC1 ZINC000329155966 465250015 /nfs/dbraw/zinc/25/00/15/465250015.db2.gz CMSHONGMPQJZOI-HOCLYGCPSA-N 1 2 337.443 2.121 20 30 EEEDLO Cc1noc([C@@H]2CCCN2C(=O)NC[C@@H]2CCCn3cc[nH+]c32)n1 ZINC000329190507 465262333 /nfs/dbraw/zinc/26/23/33/465262333.db2.gz CMZUITMNPFDSFB-STQMWFEESA-N 1 2 330.392 2.203 20 30 EEEDLO CCC(=O)N[C@H](C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)c1ccccc1 ZINC000329188356 465261677 /nfs/dbraw/zinc/26/16/77/465261677.db2.gz PIGWTBFKXCSTOA-BQFCYCMXSA-N 1 2 345.443 2.026 20 30 EEEDLO CCC(=O)N[C@H](C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1ccccc1 ZINC000329188356 465261680 /nfs/dbraw/zinc/26/16/80/465261680.db2.gz PIGWTBFKXCSTOA-BQFCYCMXSA-N 1 2 345.443 2.026 20 30 EEEDLO COc1ccc(Br)c(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000414127063 467379642 /nfs/dbraw/zinc/37/96/42/467379642.db2.gz PELIVYZEWZXPMD-LLVKDONJSA-N 1 2 343.221 2.043 20 30 EEEDLO COc1ccc(Br)c(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414127063 467379646 /nfs/dbraw/zinc/37/96/46/467379646.db2.gz PELIVYZEWZXPMD-LLVKDONJSA-N 1 2 343.221 2.043 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000341987741 465281791 /nfs/dbraw/zinc/28/17/91/465281791.db2.gz IAXROCBQZQMKPW-AWEZNQCLSA-N 1 2 333.436 2.043 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H](C#N)CCc1ccccc1 ZINC000342291971 465309356 /nfs/dbraw/zinc/30/93/56/465309356.db2.gz RSRSSYLCWJDFQH-NEWSRXKRSA-N 1 2 341.455 2.081 20 30 EEEDLO CCO[C@@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCSCC2)[C@@]12CCCO2 ZINC000329538529 465365477 /nfs/dbraw/zinc/36/54/77/465365477.db2.gz VNTBEKPFYFXOIT-AYDFFVQHSA-N 1 2 328.478 2.107 20 30 EEEDLO C=C(C)CC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000351843606 465393768 /nfs/dbraw/zinc/39/37/68/465393768.db2.gz GTYVGKVNTRIWOZ-UHFFFAOYSA-N 1 2 330.400 2.237 20 30 EEEDLO N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000074090430 462552692 /nfs/dbraw/zinc/55/26/92/462552692.db2.gz ZLIFDGWQNNPLFU-SFHVURJKSA-N 1 2 338.386 2.373 20 30 EEEDLO N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000074090430 462552696 /nfs/dbraw/zinc/55/26/96/462552696.db2.gz ZLIFDGWQNNPLFU-SFHVURJKSA-N 1 2 338.386 2.373 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)c1C#N ZINC000535205579 468303623 /nfs/dbraw/zinc/30/36/23/468303623.db2.gz HSRIXCBFHQBTDW-UHFFFAOYSA-N 1 2 343.427 2.035 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2CCCN(C(=O)C(C)C)CC2)c1C#N ZINC000535205579 468303629 /nfs/dbraw/zinc/30/36/29/468303629.db2.gz HSRIXCBFHQBTDW-UHFFFAOYSA-N 1 2 343.427 2.035 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)CCN1CCOCC1 ZINC000074290184 462580493 /nfs/dbraw/zinc/58/04/93/462580493.db2.gz DYCGJBYLPLSNKK-UHFFFAOYSA-N 1 2 349.500 2.167 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)CCN1CCOCC1 ZINC000074290184 462580498 /nfs/dbraw/zinc/58/04/98/462580498.db2.gz DYCGJBYLPLSNKK-UHFFFAOYSA-N 1 2 349.500 2.167 20 30 EEEDLO C=CCSc1ccccc1NC(=O)CN(C)CC[NH+]1CCOCC1 ZINC000074290184 462580504 /nfs/dbraw/zinc/58/05/04/462580504.db2.gz DYCGJBYLPLSNKK-UHFFFAOYSA-N 1 2 349.500 2.167 20 30 EEEDLO COCC[N@H+](CC(=O)N1CCC(C)CC1)Cc1ccc(C#N)cc1 ZINC000063754584 462668979 /nfs/dbraw/zinc/66/89/79/462668979.db2.gz CIVNYGHKWGZFDB-UHFFFAOYSA-N 1 2 329.444 2.265 20 30 EEEDLO COCC[N@@H+](CC(=O)N1CCC(C)CC1)Cc1ccc(C#N)cc1 ZINC000063754584 462668985 /nfs/dbraw/zinc/66/89/85/462668985.db2.gz CIVNYGHKWGZFDB-UHFFFAOYSA-N 1 2 329.444 2.265 20 30 EEEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000007017116 462717757 /nfs/dbraw/zinc/71/77/57/462717757.db2.gz MXJVNPAQMWNKDN-IBGZPJMESA-N 1 2 345.443 2.116 20 30 EEEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000007017116 462717763 /nfs/dbraw/zinc/71/77/63/462717763.db2.gz MXJVNPAQMWNKDN-IBGZPJMESA-N 1 2 345.443 2.116 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000130065616 462739190 /nfs/dbraw/zinc/73/91/90/462739190.db2.gz GWRNZRMQBXXFCA-UHFFFAOYSA-N 1 2 344.459 2.326 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000130065616 462739192 /nfs/dbraw/zinc/73/91/92/462739192.db2.gz GWRNZRMQBXXFCA-UHFFFAOYSA-N 1 2 344.459 2.326 20 30 EEEDLO COCC[N@H+](CCC#N)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000154259290 462747148 /nfs/dbraw/zinc/74/71/48/462747148.db2.gz UKDHQYYUGSVGFC-OAHLLOKOSA-N 1 2 330.350 2.471 20 30 EEEDLO COCC[N@@H+](CCC#N)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000154259290 462747153 /nfs/dbraw/zinc/74/71/53/462747153.db2.gz UKDHQYYUGSVGFC-OAHLLOKOSA-N 1 2 330.350 2.471 20 30 EEEDLO COC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000008471167 462784526 /nfs/dbraw/zinc/78/45/26/462784526.db2.gz MMQBIIZSEDJXFX-NSHDSACASA-N 1 2 349.818 2.424 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCCC2(C1)OCCO2 ZINC000090563201 462799485 /nfs/dbraw/zinc/79/94/85/462799485.db2.gz KTVQZQVGQKFRIY-INIZCTEOSA-N 1 2 343.427 2.161 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCCC2(C1)OCCO2 ZINC000090563201 462799488 /nfs/dbraw/zinc/79/94/88/462799488.db2.gz KTVQZQVGQKFRIY-INIZCTEOSA-N 1 2 343.427 2.161 20 30 EEEDLO Cc1nn(C)cc1C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000590714555 468315631 /nfs/dbraw/zinc/31/56/31/468315631.db2.gz HHAMQNJKLRXHEQ-SFHVURJKSA-N 1 2 327.407 2.250 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCc2n[nH]cc2C1 ZINC000091079250 462830437 /nfs/dbraw/zinc/83/04/37/462830437.db2.gz QIKCIICATYPSBE-ZDUSSCGKSA-N 1 2 341.390 2.242 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCc2n[nH]cc2C1 ZINC000091079250 462830443 /nfs/dbraw/zinc/83/04/43/462830443.db2.gz QIKCIICATYPSBE-ZDUSSCGKSA-N 1 2 341.390 2.242 20 30 EEEDLO CC[N@@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)C[C@H](C)C#N ZINC000066424103 462887936 /nfs/dbraw/zinc/88/79/36/462887936.db2.gz VKRIPYFUEKNWNF-MRXNPFEDSA-N 1 2 339.443 2.013 20 30 EEEDLO CC[N@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)C[C@H](C)C#N ZINC000066424103 462887941 /nfs/dbraw/zinc/88/79/41/462887941.db2.gz VKRIPYFUEKNWNF-MRXNPFEDSA-N 1 2 339.443 2.013 20 30 EEEDLO Cc1cccn2cc(CCNS(=O)(=O)CC(C)(C)CC#N)[nH+]c12 ZINC000590748640 468324997 /nfs/dbraw/zinc/32/49/97/468324997.db2.gz LUAKRISZEHCQTG-UHFFFAOYSA-N 1 2 334.445 2.045 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cnc(N(C)C)s2)c1 ZINC000092143554 462929849 /nfs/dbraw/zinc/92/98/49/462929849.db2.gz AWASJBRFMKYCFO-UHFFFAOYSA-N 1 2 328.441 2.261 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cnc(N(C)C)s2)c1 ZINC000092143554 462929855 /nfs/dbraw/zinc/92/98/55/462929855.db2.gz AWASJBRFMKYCFO-UHFFFAOYSA-N 1 2 328.441 2.261 20 30 EEEDLO C#CCCCCC(=O)N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000119851966 462933867 /nfs/dbraw/zinc/93/38/67/462933867.db2.gz JUFSOELEBNTIEF-UHFFFAOYSA-N 1 2 330.476 2.476 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000052281665 463074197 /nfs/dbraw/zinc/07/41/97/463074197.db2.gz UKDUNMGGQGZTCH-QGZVFWFLSA-N 1 2 328.460 2.125 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2cscn2)CC1 ZINC000068333775 463122076 /nfs/dbraw/zinc/12/20/76/463122076.db2.gz QKXGTJJKSHEBIX-OAHLLOKOSA-N 1 2 336.505 2.074 20 30 EEEDLO C[C@H](C#N)CN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000079015259 463179450 /nfs/dbraw/zinc/17/94/50/463179450.db2.gz KVYKVVIIJPZREK-DOMZBBRYSA-N 1 2 329.379 2.450 20 30 EEEDLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000160737353 463366804 /nfs/dbraw/zinc/36/68/04/463366804.db2.gz FVGXGLZAKSOISJ-KRWDZBQOSA-N 1 2 330.432 2.005 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161178786 463408017 /nfs/dbraw/zinc/40/80/17/463408017.db2.gz AXZIIMJLVUYSIU-MRXNPFEDSA-N 1 2 349.438 2.098 20 30 EEEDLO N#Cc1cccc(OC2CC[NH+](Cc3cc(=O)c(O)co3)CC2)c1 ZINC000124551895 463437019 /nfs/dbraw/zinc/43/70/19/463437019.db2.gz QYCRHLQVAVHZTN-UHFFFAOYSA-N 1 2 326.352 2.260 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124926825 463480693 /nfs/dbraw/zinc/48/06/93/463480693.db2.gz KHYMEPBGZPZMPY-PIGZYNQJSA-N 1 2 333.457 2.282 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@](C)(O)C1 ZINC000124926825 463480699 /nfs/dbraw/zinc/48/06/99/463480699.db2.gz KHYMEPBGZPZMPY-PIGZYNQJSA-N 1 2 333.457 2.282 20 30 EEEDLO C[C@@H]1CCN(C(=O)Cc2ccc(OCC#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000125330173 463531469 /nfs/dbraw/zinc/53/14/69/463531469.db2.gz MKESOKWGRVHZJG-QAPCUYQASA-N 1 2 338.411 2.438 20 30 EEEDLO Cc1ccc(C)c(N2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000164709953 463630578 /nfs/dbraw/zinc/63/05/78/463630578.db2.gz GQYSNVQNPVQINP-HXUWFJFHSA-N 1 2 342.487 2.480 20 30 EEEDLO CCNC(=O)C[N@H+](CC)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000126809590 463664430 /nfs/dbraw/zinc/66/44/30/463664430.db2.gz CDYBJPLWAOBPRQ-UHFFFAOYSA-N 1 2 328.334 2.395 20 30 EEEDLO CCNC(=O)C[N@@H+](CC)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000126809590 463664432 /nfs/dbraw/zinc/66/44/32/463664432.db2.gz CDYBJPLWAOBPRQ-UHFFFAOYSA-N 1 2 328.334 2.395 20 30 EEEDLO C#Cc1cccc(NC(=O)NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000043983769 463664872 /nfs/dbraw/zinc/66/48/72/463664872.db2.gz FFZWXALKYQNMKC-UHFFFAOYSA-N 1 2 336.395 2.221 20 30 EEEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)NCC#N)[C@H](c1ccccc1)C2 ZINC000177460181 463710187 /nfs/dbraw/zinc/71/01/87/463710187.db2.gz CSLHKXJZNMDRQJ-IBGZPJMESA-N 1 2 335.407 2.434 20 30 EEEDLO COc1ccc2c(c1)C[N@H+](CC(=O)NCC#N)[C@H](c1ccccc1)C2 ZINC000177460181 463710192 /nfs/dbraw/zinc/71/01/92/463710192.db2.gz CSLHKXJZNMDRQJ-IBGZPJMESA-N 1 2 335.407 2.434 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185101151 463752218 /nfs/dbraw/zinc/75/22/18/463752218.db2.gz GSVQEBJCKYXSCG-GFCCVEGCSA-N 1 2 345.378 2.288 20 30 EEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000286998733 463767011 /nfs/dbraw/zinc/76/70/11/463767011.db2.gz MRRAPWGWYDHQEC-WFASDCNBSA-N 1 2 332.379 2.024 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000185491767 463832615 /nfs/dbraw/zinc/83/26/15/463832615.db2.gz LLFFTARLFXPERK-GJZGRUSLSA-N 1 2 334.489 2.187 20 30 EEEDLO CN1C(=O)C[C@H]([NH2+]C[C@@H](C#N)CCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000568733096 468379499 /nfs/dbraw/zinc/37/94/99/468379499.db2.gz OPWZUQUPDPSXLK-XQAQDONZSA-N 1 2 332.354 2.270 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1 ZINC000194314116 463833053 /nfs/dbraw/zinc/83/30/53/463833053.db2.gz VMXUFHWXGMQKHD-SFHVURJKSA-N 1 2 348.406 2.060 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1 ZINC000194314116 463833059 /nfs/dbraw/zinc/83/30/59/463833059.db2.gz VMXUFHWXGMQKHD-SFHVURJKSA-N 1 2 348.406 2.060 20 30 EEEDLO COCC[NH+](CCOC)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000287515075 463911657 /nfs/dbraw/zinc/91/16/57/463911657.db2.gz MJTKFNZLMYZPEU-UHFFFAOYSA-N 1 2 347.459 2.145 20 30 EEEDLO N#CCCCCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000171732363 463914620 /nfs/dbraw/zinc/91/46/20/463914620.db2.gz XSQJHSLEMFNSJH-QGZVFWFLSA-N 1 2 330.432 2.053 20 30 EEEDLO Cc1nsc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1C#N ZINC000283534983 463918291 /nfs/dbraw/zinc/91/82/91/463918291.db2.gz LHSVLJSGJMHHAC-UHFFFAOYSA-N 1 2 338.440 2.293 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178789222 463973757 /nfs/dbraw/zinc/97/37/57/463973757.db2.gz WKPJPWMFRJDHSK-WNSKOXEYSA-N 1 2 334.485 2.445 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178789222 463973761 /nfs/dbraw/zinc/97/37/61/463973761.db2.gz WKPJPWMFRJDHSK-WNSKOXEYSA-N 1 2 334.485 2.445 20 30 EEEDLO C=CCC1(C(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)CCC1 ZINC000195196444 464014674 /nfs/dbraw/zinc/01/46/74/464014674.db2.gz KZLAUOWYORQQLF-UHFFFAOYSA-N 1 2 336.476 2.119 20 30 EEEDLO C#CCn1ccc(CN(CC)C(=O)Cn2c(CC)[nH+]c3ccccc32)n1 ZINC000279030472 464026573 /nfs/dbraw/zinc/02/65/73/464026573.db2.gz WPIPFEKWJYGDPC-UHFFFAOYSA-N 1 2 349.438 2.477 20 30 EEEDLO CCc1cc(N)nc(SCC(=O)N(C)C2(C#N)CCCCC2)[nH+]1 ZINC000279024153 464026724 /nfs/dbraw/zinc/02/67/24/464026724.db2.gz CLSUZSCNMNQUML-UHFFFAOYSA-N 1 2 333.461 2.398 20 30 EEEDLO C[C@H]([NH2+][C@@H](C)c1nnc2ccccn21)C(=O)NC1(C#N)CCCCC1 ZINC000172613668 464117651 /nfs/dbraw/zinc/11/76/51/464117651.db2.gz CYOJWHFMTNXJHV-KBPBESRZSA-N 1 2 340.431 2.111 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263773040 464184711 /nfs/dbraw/zinc/18/47/11/464184711.db2.gz XABMIXHHGQZUSE-HKUYNNGSSA-N 1 2 329.444 2.287 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263773040 464184716 /nfs/dbraw/zinc/18/47/16/464184716.db2.gz XABMIXHHGQZUSE-HKUYNNGSSA-N 1 2 329.444 2.287 20 30 EEEDLO N#CCOc1ccc(/C=C\C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000229911928 464200758 /nfs/dbraw/zinc/20/07/58/464200758.db2.gz ICDVSYMZHKVSND-TWGQIWQCSA-N 1 2 348.406 2.346 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)OCC ZINC000270175973 464209222 /nfs/dbraw/zinc/20/92/22/464209222.db2.gz MBASRKSECGVTPB-GOSISDBHSA-N 1 2 332.444 2.408 20 30 EEEDLO N#Cc1ccc(OC2CCC(NC(=O)C=Cc3c[nH]c[nH+]3)CC2)nc1 ZINC000284496880 464216054 /nfs/dbraw/zinc/21/60/54/464216054.db2.gz USPRSZVOWWVUOQ-QPJJXVBHSA-N 1 2 337.383 2.196 20 30 EEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284527558 464229445 /nfs/dbraw/zinc/22/94/45/464229445.db2.gz UXQIWJSCMWDEIO-SNVBAGLBSA-N 1 2 340.336 2.353 20 30 EEEDLO N#CCCN(Cc1ccco1)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000280782083 464252427 /nfs/dbraw/zinc/25/24/27/464252427.db2.gz CNTIEYKEMHWOIM-UHFFFAOYSA-N 1 2 325.359 2.499 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC(C)=C(Br)C1 ZINC000280856846 464263256 /nfs/dbraw/zinc/26/32/56/464263256.db2.gz IJVDLCTYBNHQJI-LLVKDONJSA-N 1 2 328.254 2.369 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC(C)=C(Br)C1 ZINC000280856846 464263265 /nfs/dbraw/zinc/26/32/65/464263265.db2.gz IJVDLCTYBNHQJI-LLVKDONJSA-N 1 2 328.254 2.369 20 30 EEEDLO CCC(CC)[C@@H](C(=O)Nc1cc(C)n(CCC#N)n1)[NH+]1CCOCC1 ZINC000271005214 464274443 /nfs/dbraw/zinc/27/44/43/464274443.db2.gz CKRQONPFDMEEQS-KRWDZBQOSA-N 1 2 347.463 2.181 20 30 EEEDLO C=CCN1CC[C@@H]([NH+]2CCC(O)(c3ccccc3Cl)CC2)C1=O ZINC000281193390 464366078 /nfs/dbraw/zinc/36/60/78/464366078.db2.gz BXQKCTMPRRMTQF-MRXNPFEDSA-N 1 2 334.847 2.410 20 30 EEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCCOc1cccc2ccccc21 ZINC000174151867 464368957 /nfs/dbraw/zinc/36/89/57/464368957.db2.gz KGDBGIZDODHMQF-UHFFFAOYSA-N 1 2 329.400 2.422 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1=O ZINC000281265985 464393591 /nfs/dbraw/zinc/39/35/91/464393591.db2.gz HSPQQNBWLDOPTF-WFASDCNBSA-N 1 2 335.835 2.386 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1=O ZINC000281265985 464393597 /nfs/dbraw/zinc/39/35/97/464393597.db2.gz HSPQQNBWLDOPTF-WFASDCNBSA-N 1 2 335.835 2.386 20 30 EEEDLO CC(C)(C)c1nnc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)[nH]1 ZINC000293228660 464394965 /nfs/dbraw/zinc/39/49/65/464394965.db2.gz HCUVIAJTSLOGNA-CYBMUJFWSA-N 1 2 326.404 2.022 20 30 EEEDLO CC(C)(C)c1nnc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)[nH]1 ZINC000293228660 464394970 /nfs/dbraw/zinc/39/49/70/464394970.db2.gz HCUVIAJTSLOGNA-CYBMUJFWSA-N 1 2 326.404 2.022 20 30 EEEDLO CN(CC[NH+]1CCOCC1)Cc1ccc(C#N)cc1Br ZINC000181078987 464441634 /nfs/dbraw/zinc/44/16/34/464441634.db2.gz RGGOHRBLCPUAKV-UHFFFAOYSA-N 1 2 338.249 2.085 20 30 EEEDLO C[N@H+](CCN1CCOCC1)Cc1ccc(C#N)cc1Br ZINC000181078987 464441637 /nfs/dbraw/zinc/44/16/37/464441637.db2.gz RGGOHRBLCPUAKV-UHFFFAOYSA-N 1 2 338.249 2.085 20 30 EEEDLO C[N@@H+](CCN1CCOCC1)Cc1ccc(C#N)cc1Br ZINC000181078987 464441642 /nfs/dbraw/zinc/44/16/42/464441642.db2.gz RGGOHRBLCPUAKV-UHFFFAOYSA-N 1 2 338.249 2.085 20 30 EEEDLO N#Cc1ccc(F)c(CNC(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000174848000 464458290 /nfs/dbraw/zinc/45/82/90/464458290.db2.gz DZPKFMVCFNECJR-UHFFFAOYSA-N 1 2 337.358 2.387 20 30 EEEDLO CC(=O)N1CC[NH+](Cc2ccccc2NCc2ccc(C#N)o2)CC1 ZINC000189446516 464506773 /nfs/dbraw/zinc/50/67/73/464506773.db2.gz IQZIRLBHSWTLBQ-UHFFFAOYSA-N 1 2 338.411 2.427 20 30 EEEDLO C[C@@](O)(C[NH+]1CCN(c2cccc(F)c2C#N)CC1)C(F)(F)F ZINC000281752248 464571975 /nfs/dbraw/zinc/57/19/75/464571975.db2.gz FRLNYNKSOWTKNP-CQSZACIVSA-N 1 2 331.313 2.133 20 30 EEEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000246503383 464592862 /nfs/dbraw/zinc/59/28/62/464592862.db2.gz HTFBTDONMIJBPX-CZUORRHYSA-N 1 2 329.379 2.465 20 30 EEEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000246503383 464592868 /nfs/dbraw/zinc/59/28/68/464592868.db2.gz HTFBTDONMIJBPX-CZUORRHYSA-N 1 2 329.379 2.465 20 30 EEEDLO N#CCNC(=O)C[N@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000175931735 464660784 /nfs/dbraw/zinc/66/07/84/464660784.db2.gz IQGQIRNSXMKXCL-LBPRGKRZSA-N 1 2 342.226 2.476 20 30 EEEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000175931735 464660790 /nfs/dbraw/zinc/66/07/90/464660790.db2.gz IQGQIRNSXMKXCL-LBPRGKRZSA-N 1 2 342.226 2.476 20 30 EEEDLO N#CC1(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CCOCC1 ZINC000176489616 464785089 /nfs/dbraw/zinc/78/50/89/464785089.db2.gz LSTUSKQSSIWOHY-UHFFFAOYSA-N 1 2 338.411 2.062 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000191618509 464823469 /nfs/dbraw/zinc/82/34/69/464823469.db2.gz CUKJAYKWDJHPPM-CABCVRRESA-N 1 2 332.423 2.097 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000191618509 464823470 /nfs/dbraw/zinc/82/34/70/464823470.db2.gz CUKJAYKWDJHPPM-CABCVRRESA-N 1 2 332.423 2.097 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000249122935 464845084 /nfs/dbraw/zinc/84/50/84/464845084.db2.gz TVYXMXIBYXCCOM-HNAYVOBHSA-N 1 2 346.450 2.391 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000249122935 464845089 /nfs/dbraw/zinc/84/50/89/464845089.db2.gz TVYXMXIBYXCCOM-HNAYVOBHSA-N 1 2 346.450 2.391 20 30 EEEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329949394 465485073 /nfs/dbraw/zinc/48/50/73/465485073.db2.gz ZXWSJULYPXUYFU-KWCYVHTRSA-N 1 2 346.456 2.288 20 30 EEEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329949394 465485075 /nfs/dbraw/zinc/48/50/75/465485075.db2.gz ZXWSJULYPXUYFU-KWCYVHTRSA-N 1 2 346.456 2.288 20 30 EEEDLO CCN1CCOC[C@@H]1C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329409324 465324732 /nfs/dbraw/zinc/32/47/32/465324732.db2.gz XSIWCYUUUHXMHF-UONOGXRCSA-N 1 2 334.464 2.173 20 30 EEEDLO O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000329434887 465332153 /nfs/dbraw/zinc/33/21/53/465332153.db2.gz JIUGKALAOBONIA-HZPDHXFCSA-N 1 2 346.427 2.284 20 30 EEEDLO O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000329434887 465332159 /nfs/dbraw/zinc/33/21/59/465332159.db2.gz JIUGKALAOBONIA-HZPDHXFCSA-N 1 2 346.427 2.284 20 30 EEEDLO Cc1nc(N2CCN(C(=O)NC[C@@H]3CCCCS3)CC2)cc[nH+]1 ZINC000329441445 465335702 /nfs/dbraw/zinc/33/57/02/465335702.db2.gz ALMXBEUVXVGDJM-AWEZNQCLSA-N 1 2 335.477 2.107 20 30 EEEDLO CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329472131 465345189 /nfs/dbraw/zinc/34/51/89/465345189.db2.gz ZJZNHNOOWIOUPM-CABCVRRESA-N 1 2 333.432 2.078 20 30 EEEDLO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329472131 465345193 /nfs/dbraw/zinc/34/51/93/465345193.db2.gz ZJZNHNOOWIOUPM-CABCVRRESA-N 1 2 333.432 2.078 20 30 EEEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NCc1cn2cccc(C)c2[nH+]1 ZINC000359089248 465375864 /nfs/dbraw/zinc/37/58/64/465375864.db2.gz QRTYLTJAHZWVBW-UHFFFAOYSA-N 1 2 343.394 3.016 20 30 EEEDLO Cn1nc2c(c1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)CCCC2 ZINC000329574759 465376424 /nfs/dbraw/zinc/37/64/24/465376424.db2.gz AWNJVLIBZSODMI-GOSISDBHSA-N 1 2 346.475 2.399 20 30 EEEDLO Cn1nc2c(c1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)CCCC2 ZINC000329574759 465376428 /nfs/dbraw/zinc/37/64/28/465376428.db2.gz AWNJVLIBZSODMI-GOSISDBHSA-N 1 2 346.475 2.399 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@H](c2ccccc2)C1 ZINC000329620290 465388955 /nfs/dbraw/zinc/38/89/55/465388955.db2.gz RDQMSNYJGVKDDA-PBHICJAKSA-N 1 2 326.400 2.255 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@H](c2ccccc2)C1 ZINC000329620290 465388960 /nfs/dbraw/zinc/38/89/60/465388960.db2.gz RDQMSNYJGVKDDA-PBHICJAKSA-N 1 2 326.400 2.255 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000352399489 465525081 /nfs/dbraw/zinc/52/50/81/465525081.db2.gz SNLBEXXLJMULNC-IVMMDQJWSA-N 1 2 337.855 2.226 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000352399489 465525083 /nfs/dbraw/zinc/52/50/83/465525083.db2.gz SNLBEXXLJMULNC-IVMMDQJWSA-N 1 2 337.855 2.226 20 30 EEEDLO C=C[C@@H](C)NC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000339813647 465526194 /nfs/dbraw/zinc/52/61/94/465526194.db2.gz OZJGMGQBQWLOQQ-CYBMUJFWSA-N 1 2 336.395 2.231 20 30 EEEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCOC2(CCC2)C1 ZINC000330214272 465570733 /nfs/dbraw/zinc/57/07/33/465570733.db2.gz LNGZXSSIUXODOY-CQSZACIVSA-N 1 2 332.448 2.367 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)nc1C ZINC000330281920 465598112 /nfs/dbraw/zinc/59/81/12/465598112.db2.gz AFHJSVKULDJBGQ-UKRRQHHQSA-N 1 2 329.404 2.360 20 30 EEEDLO CCn1cc([C@H]2OCC[C@@H]2NC(=O)[C@H]2CCn3c[nH+]cc3C2)cn1 ZINC000330336065 465618989 /nfs/dbraw/zinc/61/89/89/465618989.db2.gz SBDUALZULRJRLA-VBNZEHGJSA-N 1 2 329.404 2.149 20 30 EEEDLO C=C(C)COc1cc(C[N@@H+]2C[C@H](OC)C[C@H]2C(=O)OC)ccc1OC ZINC000362377406 465691114 /nfs/dbraw/zinc/69/11/14/465691114.db2.gz XRTHIHODQARCRG-CVEARBPZSA-N 1 2 349.427 2.412 20 30 EEEDLO C=C(C)COc1cc(C[N@H+]2C[C@H](OC)C[C@H]2C(=O)OC)ccc1OC ZINC000362377406 465691122 /nfs/dbraw/zinc/69/11/22/465691122.db2.gz XRTHIHODQARCRG-CVEARBPZSA-N 1 2 349.427 2.412 20 30 EEEDLO O=C(NCC#Cc1cccc(F)c1)NCCc1cn2c([nH+]1)CCCC2 ZINC000338006285 465744558 /nfs/dbraw/zinc/74/45/58/465744558.db2.gz ULNPLKDWJKEWQX-UHFFFAOYSA-N 1 2 340.402 2.252 20 30 EEEDLO Cc1nc(NCc2cccc(C(=O)N[C@@H](C#N)C(C)(C)C)c2)cc[nH+]1 ZINC000348961466 465891739 /nfs/dbraw/zinc/89/17/39/465891739.db2.gz FLGAQEKKUHLYNR-INIZCTEOSA-N 1 2 337.427 3.065 20 30 EEEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)NC2(C#N)CCC2)c(OC)c1 ZINC000345782194 465902364 /nfs/dbraw/zinc/90/23/64/465902364.db2.gz JCRCDRSYSIJZMN-ZDUSSCGKSA-N 1 2 331.416 2.087 20 30 EEEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC2(C#N)CCC2)c(OC)c1 ZINC000345782194 465902371 /nfs/dbraw/zinc/90/23/71/465902371.db2.gz JCRCDRSYSIJZMN-ZDUSSCGKSA-N 1 2 331.416 2.087 20 30 EEEDLO CC(C)(C)CC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000331226917 465988401 /nfs/dbraw/zinc/98/84/01/465988401.db2.gz NNINVFRYJHEZNJ-UHFFFAOYSA-N 1 2 341.502 2.362 20 30 EEEDLO N#Cc1cncc(S(=O)(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000357382005 465992528 /nfs/dbraw/zinc/99/25/28/465992528.db2.gz FANHURCXNXYTOK-UHFFFAOYSA-N 1 2 325.353 2.144 20 30 EEEDLO CC(C)C[C@H](CNc1nccc(C#N)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000301639546 466000536 /nfs/dbraw/zinc/00/05/36/466000536.db2.gz LSEVZUIATVDREA-CQSZACIVSA-N 1 2 333.392 2.020 20 30 EEEDLO CC#CCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000361521207 466069177 /nfs/dbraw/zinc/06/91/77/466069177.db2.gz ZMKIUVPCRNBLJJ-SJORKVTESA-N 1 2 349.862 2.424 20 30 EEEDLO CC#CCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000361521207 466069182 /nfs/dbraw/zinc/06/91/82/466069182.db2.gz ZMKIUVPCRNBLJJ-SJORKVTESA-N 1 2 349.862 2.424 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2Cc2cccc(C#N)c2F)O1 ZINC000338375430 466071453 /nfs/dbraw/zinc/07/14/53/466071453.db2.gz GCRMOKJCVNYKFM-SRMUXQRQSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2Cc2cccc(C#N)c2F)O1 ZINC000338375430 466071461 /nfs/dbraw/zinc/07/14/61/466071461.db2.gz GCRMOKJCVNYKFM-SRMUXQRQSA-N 1 2 332.375 2.381 20 30 EEEDLO COCCCn1nccc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000597184006 468474143 /nfs/dbraw/zinc/47/41/43/468474143.db2.gz QHLGALPQCFPDRK-UHFFFAOYSA-N 1 2 345.472 2.175 20 30 EEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000580325517 468475734 /nfs/dbraw/zinc/47/57/34/468475734.db2.gz PYXBBZKMNNYVNN-ZDUSSCGKSA-N 1 2 325.359 2.229 20 30 EEEDLO Cc1nc(C)n(C[C@@H]2C[N@H+]([C@H](C)c3cccc(C#N)c3)CCO2)n1 ZINC000331747695 466228942 /nfs/dbraw/zinc/22/89/42/466228942.db2.gz XZYNBLLAWUPJKC-ACJLOTCBSA-N 1 2 325.416 2.229 20 30 EEEDLO Cc1nc(C)n(C[C@@H]2C[N@@H+]([C@H](C)c3cccc(C#N)c3)CCO2)n1 ZINC000331747695 466228946 /nfs/dbraw/zinc/22/89/46/466228946.db2.gz XZYNBLLAWUPJKC-ACJLOTCBSA-N 1 2 325.416 2.229 20 30 EEEDLO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000331800309 466249585 /nfs/dbraw/zinc/24/95/85/466249585.db2.gz SCJIHSJWQUPQST-CHWSQXEVSA-N 1 2 326.400 2.032 20 30 EEEDLO COc1ccc(CN(C)C(=O)C[N@H+](CCC#N)CC2CC2)cc1OC ZINC000357903377 466303719 /nfs/dbraw/zinc/30/37/19/466303719.db2.gz GJZRVTVBZFDJAP-UHFFFAOYSA-N 1 2 345.443 2.288 20 30 EEEDLO COc1ccc(CN(C)C(=O)C[N@@H+](CCC#N)CC2CC2)cc1OC ZINC000357903377 466303721 /nfs/dbraw/zinc/30/37/21/466303721.db2.gz GJZRVTVBZFDJAP-UHFFFAOYSA-N 1 2 345.443 2.288 20 30 EEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000580960506 468486677 /nfs/dbraw/zinc/48/66/77/468486677.db2.gz PGNZVMVTGQCVMW-LLVKDONJSA-N 1 2 335.205 2.239 20 30 EEEDLO CN1CC[N@H+](C)C[C@H]1c1noc(C[C@@H](CC#N)c2ccccc2)n1 ZINC000350064793 466370751 /nfs/dbraw/zinc/37/07/51/466370751.db2.gz IQWRDDJQQILVEW-CVEARBPZSA-N 1 2 325.416 2.228 20 30 EEEDLO CN1CC[N@@H+](C)C[C@H]1c1noc(C[C@@H](CC#N)c2ccccc2)n1 ZINC000350064793 466370756 /nfs/dbraw/zinc/37/07/56/466370756.db2.gz IQWRDDJQQILVEW-CVEARBPZSA-N 1 2 325.416 2.228 20 30 EEEDLO N#CC1(NC(=O)C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)CCC1 ZINC000347093200 466386778 /nfs/dbraw/zinc/38/67/78/466386778.db2.gz QTUDZRLGBGQUDR-GFCCVEGCSA-N 1 2 342.226 2.179 20 30 EEEDLO N#CCOc1ccc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000363464627 466421694 /nfs/dbraw/zinc/42/16/94/466421694.db2.gz FDMRHBZUBBNOLN-OAHLLOKOSA-N 1 2 339.399 2.401 20 30 EEEDLO N#Cc1cccc(CNC(=O)NCCNc2ccc3ccccc3[nH+]2)c1 ZINC000338937117 466501081 /nfs/dbraw/zinc/50/10/81/466501081.db2.gz BKZAGNJACJFGMQ-UHFFFAOYSA-N 1 2 345.406 3.018 20 30 EEEDLO COc1cccc([C@H](NC(=O)c2c[nH]c(C#N)c2)c2[nH+]ccn2C)c1 ZINC000367705638 466506846 /nfs/dbraw/zinc/50/68/46/466506846.db2.gz OJMDZBDUWKUMFW-INIZCTEOSA-N 1 2 335.367 2.148 20 30 EEEDLO C[C@@H](O)c1cn(C2C[NH+](Cc3cccc(OCCCC#N)c3)C2)nn1 ZINC000374817769 466751294 /nfs/dbraw/zinc/75/12/94/466751294.db2.gz IHPPIDGMWUPHGR-CQSZACIVSA-N 1 2 341.415 2.071 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C(=O)OC)cc1OC ZINC000374890702 466759146 /nfs/dbraw/zinc/75/91/46/466759146.db2.gz BJSLYOYPNMHECL-JKSUJKDBSA-N 1 2 349.427 2.412 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C(=O)OC)cc1OC ZINC000374890702 466759151 /nfs/dbraw/zinc/75/91/51/466759151.db2.gz BJSLYOYPNMHECL-JKSUJKDBSA-N 1 2 349.427 2.412 20 30 EEEDLO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1csnn1 ZINC000412042252 466978141 /nfs/dbraw/zinc/97/81/41/466978141.db2.gz OGMSMOXYULCRNH-FZMZJTMJSA-N 1 2 327.413 2.256 20 30 EEEDLO CC(C)c1nc(C2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)no1 ZINC000370772500 467000620 /nfs/dbraw/zinc/00/06/20/467000620.db2.gz JCDMEUVRPAPOMR-SFHVURJKSA-N 1 2 345.447 2.181 20 30 EEEDLO Cc1cc(NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c(C#N)c[nH+]1 ZINC000425216587 467088488 /nfs/dbraw/zinc/08/84/88/467088488.db2.gz RUHIYOSHACWTGB-GOSISDBHSA-N 1 2 336.395 2.413 20 30 EEEDLO C=CC[C@H](C)[C@@H](C)[NH2+]C1CN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000428079009 467201667 /nfs/dbraw/zinc/20/16/67/467201667.db2.gz OMIFBXGDYZFSCW-UONOGXRCSA-N 1 2 338.473 2.258 20 30 EEEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000378335620 467268482 /nfs/dbraw/zinc/26/84/82/467268482.db2.gz RDFFYJUQXWRVLA-KRWDZBQOSA-N 1 2 326.400 2.351 20 30 EEEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000378335620 467268485 /nfs/dbraw/zinc/26/84/85/467268485.db2.gz RDFFYJUQXWRVLA-KRWDZBQOSA-N 1 2 326.400 2.351 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429244795 467315762 /nfs/dbraw/zinc/31/57/62/467315762.db2.gz HRRINNYUHCFJRE-HZPDHXFCSA-N 1 2 346.450 2.344 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429244795 467315766 /nfs/dbraw/zinc/31/57/66/467315766.db2.gz HRRINNYUHCFJRE-HZPDHXFCSA-N 1 2 346.450 2.344 20 30 EEEDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(C#N)s3)[nH+]cn2)C1 ZINC000420652577 467442701 /nfs/dbraw/zinc/44/27/01/467442701.db2.gz MSROXNXWXAGQDI-VXGBXAGGSA-N 1 2 329.429 2.229 20 30 EEEDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(C#N)s3)nc[nH+]2)C1 ZINC000420652577 467442705 /nfs/dbraw/zinc/44/27/05/467442705.db2.gz MSROXNXWXAGQDI-VXGBXAGGSA-N 1 2 329.429 2.229 20 30 EEEDLO C=CC(C)(C)CNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000454330511 467585339 /nfs/dbraw/zinc/58/53/39/467585339.db2.gz TUABZOAUOPMETO-CQSZACIVSA-N 1 2 332.448 2.318 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)CCC1 ZINC000527127942 467654739 /nfs/dbraw/zinc/65/47/39/467654739.db2.gz DGKYJOGFEMCPBK-OAHLLOKOSA-N 1 2 341.411 2.157 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)CCC1 ZINC000527127942 467654742 /nfs/dbraw/zinc/65/47/42/467654742.db2.gz DGKYJOGFEMCPBK-OAHLLOKOSA-N 1 2 341.411 2.157 20 30 EEEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1nc(C2CCCCC2)no1 ZINC000527377517 467660231 /nfs/dbraw/zinc/66/02/31/467660231.db2.gz FRBURFNFSRKTKD-LBPRGKRZSA-N 1 2 331.420 2.330 20 30 EEEDLO N#CC1(C[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)CCC1 ZINC000450511732 467862267 /nfs/dbraw/zinc/86/22/67/467862267.db2.gz RBJKSAQNTFCMQH-UHFFFAOYSA-N 1 2 333.457 2.123 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2ncc(C#N)cn2)C1 ZINC000497224734 467893464 /nfs/dbraw/zinc/89/34/64/467893464.db2.gz CMFAEZSLGJGUMP-KRWDZBQOSA-N 1 2 331.420 2.085 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2ncc(C#N)cn2)C1 ZINC000497224734 467893468 /nfs/dbraw/zinc/89/34/68/467893468.db2.gz CMFAEZSLGJGUMP-KRWDZBQOSA-N 1 2 331.420 2.085 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C1=O ZINC000532212992 468103585 /nfs/dbraw/zinc/10/35/85/468103585.db2.gz KDFGTJLSVPBSJX-UTSKFRMZSA-N 1 2 335.492 2.035 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C1=O ZINC000532212992 468103586 /nfs/dbraw/zinc/10/35/86/468103586.db2.gz KDFGTJLSVPBSJX-UTSKFRMZSA-N 1 2 335.492 2.035 20 30 EEEDLO CC(C)CN1C[C@@H]2C[N@H+](Cc3cccc(C#N)c3F)CCN2C1=O ZINC000488781496 468104650 /nfs/dbraw/zinc/10/46/50/468104650.db2.gz JIJATKZVXRGABM-INIZCTEOSA-N 1 2 330.407 2.275 20 30 EEEDLO CC(C)CN1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3F)CCN2C1=O ZINC000488781496 468104654 /nfs/dbraw/zinc/10/46/54/468104654.db2.gz JIJATKZVXRGABM-INIZCTEOSA-N 1 2 330.407 2.275 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000575320337 468140044 /nfs/dbraw/zinc/14/00/44/468140044.db2.gz RAWVDFWSGVEGIW-CYBMUJFWSA-N 1 2 344.293 2.187 20 30 EEEDLO CC(C)[C@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)c1[nH]cc[nH+]1 ZINC000566164740 468146216 /nfs/dbraw/zinc/14/62/16/468146216.db2.gz HREYKZVIJHXTEJ-HNNXBMFYSA-N 1 2 332.429 2.292 20 30 EEEDLO C=C(CC)CNC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000576561454 468168571 /nfs/dbraw/zinc/16/85/71/468168571.db2.gz JHIPKCFAPDDLHQ-OAHLLOKOSA-N 1 2 336.505 2.302 20 30 EEEDLO C#CCN(CC#CC)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000490688113 468236135 /nfs/dbraw/zinc/23/61/35/468236135.db2.gz HHZIXJNIUDJTIS-UHFFFAOYSA-N 1 2 325.437 2.361 20 30 EEEDLO Cc1ccc(Oc2ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc2)nn1 ZINC000591774414 468519427 /nfs/dbraw/zinc/51/94/27/468519427.db2.gz QIDHUKIMURCJKK-MRXNPFEDSA-N 1 2 341.415 2.196 20 30 EEEDLO Cc1ccc(Oc2ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc2)nn1 ZINC000591774414 468519432 /nfs/dbraw/zinc/51/94/32/468519432.db2.gz QIDHUKIMURCJKK-MRXNPFEDSA-N 1 2 341.415 2.196 20 30 EEEDLO COc1ccccc1C(=O)N1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000591817815 468526767 /nfs/dbraw/zinc/52/67/67/468526767.db2.gz KPLMRYFSGVPXGE-UHFFFAOYSA-N 1 2 336.395 2.233 20 30 EEEDLO Cc1cc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c(C#N)c[nH+]1 ZINC000591823661 468527281 /nfs/dbraw/zinc/52/72/81/468527281.db2.gz BNOQNUZNHGMFDF-MRXNPFEDSA-N 1 2 348.472 2.093 20 30 EEEDLO C=C(C)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000556714605 468554235 /nfs/dbraw/zinc/55/42/35/468554235.db2.gz WFTQIJGICDJZJR-OAHLLOKOSA-N 1 2 336.505 2.302 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](Cc2ccc(Cl)cc2)C(=O)OC)nn1 ZINC000594656126 468645331 /nfs/dbraw/zinc/64/53/31/468645331.db2.gz FCUIMIBLBUJZEV-INIZCTEOSA-N 1 2 346.818 2.001 20 30 EEEDLO N#Cc1cccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)n1 ZINC000592272487 468668487 /nfs/dbraw/zinc/66/84/87/468668487.db2.gz HVZJMJLOIZRRBN-UHFFFAOYSA-N 1 2 327.413 2.364 20 30 EEEDLO N#CC1(CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCC1 ZINC000583683654 468740094 /nfs/dbraw/zinc/74/00/94/468740094.db2.gz HGJDUDIEQUOXSL-UHFFFAOYSA-N 1 2 342.443 2.012 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(F)c(Br)c1 ZINC000571332520 468773334 /nfs/dbraw/zinc/77/33/34/468773334.db2.gz YJENISMRJMHDQN-ZDUSSCGKSA-N 1 2 328.185 2.162 20 30 EEEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000601368507 468844249 /nfs/dbraw/zinc/84/42/49/468844249.db2.gz VSEZXHDTTMFQPQ-LBPRGKRZSA-N 1 2 348.403 2.297 20 30 EEEDLO C[C@H](CCC#N)C[N@@H+]1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000602720420 469030726 /nfs/dbraw/zinc/03/07/26/469030726.db2.gz GFJGEUJAKJUCJR-PBHICJAKSA-N 1 2 336.457 2.403 20 30 EEEDLO C[C@H](CCC#N)C[N@H+]1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000602720420 469030731 /nfs/dbraw/zinc/03/07/31/469030731.db2.gz GFJGEUJAKJUCJR-PBHICJAKSA-N 1 2 336.457 2.403 20 30 EEEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000614925019 469096223 /nfs/dbraw/zinc/09/62/23/469096223.db2.gz RLEINGWSLWZOGQ-OAHLLOKOSA-N 1 2 347.381 2.372 20 30 EEEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000614925019 469096224 /nfs/dbraw/zinc/09/62/24/469096224.db2.gz RLEINGWSLWZOGQ-OAHLLOKOSA-N 1 2 347.381 2.372 20 30 EEEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)cn1 ZINC000610999239 469135587 /nfs/dbraw/zinc/13/55/87/469135587.db2.gz RXBNIGQXFHHSTK-CQSZACIVSA-N 1 2 330.432 2.253 20 30 EEEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)cn1 ZINC000610999239 469135594 /nfs/dbraw/zinc/13/55/94/469135594.db2.gz RXBNIGQXFHHSTK-CQSZACIVSA-N 1 2 330.432 2.253 20 30 EEEDLO CC[NH+]1CCN(C(=O)[C@H](C)SCCc2ccc(C#N)cc2)CC1 ZINC000596383367 469254199 /nfs/dbraw/zinc/25/41/99/469254199.db2.gz DJGSSCMADUBSBI-HNNXBMFYSA-N 1 2 331.485 2.387 20 30 EEEDLO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611550351 469276285 /nfs/dbraw/zinc/27/62/85/469276285.db2.gz DJPCIXKFSRIWCR-QAPCUYQASA-N 1 2 346.450 2.263 20 30 EEEDLO Cc1c(C#N)cccc1NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000596801555 469362972 /nfs/dbraw/zinc/36/29/72/469362972.db2.gz SUSNIMGWECJMDF-UHFFFAOYSA-N 1 2 342.443 2.443 20 30 EEEDLO Cc1cc(C#N)nc(N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)n1 ZINC000603419377 469389608 /nfs/dbraw/zinc/38/96/08/469389608.db2.gz NBICGWMCWGLATC-UHFFFAOYSA-N 1 2 348.332 2.397 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000612174660 469411399 /nfs/dbraw/zinc/41/13/99/469411399.db2.gz WRXZWSKGEXOYKH-QZTJIDSGSA-N 1 2 339.370 2.377 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000612174660 469411405 /nfs/dbraw/zinc/41/14/05/469411405.db2.gz WRXZWSKGEXOYKH-QZTJIDSGSA-N 1 2 339.370 2.377 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCN(c3ccccc3F)C2=O)nn1 ZINC000657420439 471131658 /nfs/dbraw/zinc/13/16/58/471131658.db2.gz PSKKHPQLZRLRHM-MRXNPFEDSA-N 1 2 343.406 2.279 20 30 EEEDLO C=CCN(C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)[C@@H](C)COC ZINC000666396391 471386981 /nfs/dbraw/zinc/38/69/81/471386981.db2.gz TXGQMTIYARNTSW-AWEZNQCLSA-N 1 2 348.447 2.281 20 30 EEEDLO C=C(C)Cn1c(Nc2c(C)n[nH]c2C)nnc1[C@@H]1C[N@@H+](C)C[C@H](C)O1 ZINC000669350995 471464566 /nfs/dbraw/zinc/46/45/66/471464566.db2.gz WRHMAYZPUFLTMT-FZMZJTMJSA-N 1 2 345.451 2.329 20 30 EEEDLO C=C(C)Cn1c(Nc2c(C)n[nH]c2C)nnc1[C@@H]1C[N@H+](C)C[C@H](C)O1 ZINC000669350995 471464572 /nfs/dbraw/zinc/46/45/72/471464572.db2.gz WRHMAYZPUFLTMT-FZMZJTMJSA-N 1 2 345.451 2.329 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663870156 471557684 /nfs/dbraw/zinc/55/76/84/471557684.db2.gz PLESFIAIJDOTGT-RHSMWYFYSA-N 1 2 332.448 2.221 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663870156 471557689 /nfs/dbraw/zinc/55/76/89/471557689.db2.gz PLESFIAIJDOTGT-RHSMWYFYSA-N 1 2 332.448 2.221 20 30 EEEDLO C=CC[N@H+](Cc1nc(N)nc(Nc2ccc(F)cc2)n1)[C@H](C)COC ZINC000661243763 471686623 /nfs/dbraw/zinc/68/66/23/471686623.db2.gz MTLKSDLSVUHEOU-GFCCVEGCSA-N 1 2 346.410 2.359 20 30 EEEDLO C=CC[N@@H+](Cc1nc(N)nc(Nc2ccc(F)cc2)n1)[C@H](C)COC ZINC000661243763 471686629 /nfs/dbraw/zinc/68/66/29/471686629.db2.gz MTLKSDLSVUHEOU-GFCCVEGCSA-N 1 2 346.410 2.359 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1ccccc1N1CCCC1=O)[C@H](C)COC ZINC000661247041 471688245 /nfs/dbraw/zinc/68/82/45/471688245.db2.gz NLSRNNUEOSWDKY-OAHLLOKOSA-N 1 2 345.443 2.275 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1N1CCCC1=O)[C@H](C)COC ZINC000661247041 471688250 /nfs/dbraw/zinc/68/82/50/471688250.db2.gz NLSRNNUEOSWDKY-OAHLLOKOSA-N 1 2 345.443 2.275 20 30 EEEDLO CCC#C[C@H](C)[NH+]1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000680387988 485959274 /nfs/dbraw/zinc/95/92/74/485959274.db2.gz FJAXBMFKSHBXJL-WMLDXEAASA-N 1 2 333.863 2.286 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000684792748 485997639 /nfs/dbraw/zinc/99/76/39/485997639.db2.gz YCFBZKQCFBQSHP-WBVHZDCISA-N 1 2 342.443 2.466 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)C1=O ZINC000685003251 486062447 /nfs/dbraw/zinc/06/24/47/486062447.db2.gz RVEORBRWFNHLTO-CABCVRRESA-N 1 2 342.361 2.199 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)C1=O ZINC000685003251 486062449 /nfs/dbraw/zinc/06/24/49/486062449.db2.gz RVEORBRWFNHLTO-CABCVRRESA-N 1 2 342.361 2.199 20 30 EEEDLO N#CCC[N@@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)CC1CC1 ZINC000081514710 534633546 /nfs/dbraw/zinc/63/35/46/534633546.db2.gz FABWGBCMBUJFAZ-UHFFFAOYSA-N 1 2 344.434 2.100 20 30 EEEDLO N#CCC[N@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)CC1CC1 ZINC000081514710 534633553 /nfs/dbraw/zinc/63/35/53/534633553.db2.gz FABWGBCMBUJFAZ-UHFFFAOYSA-N 1 2 344.434 2.100 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[N@H+](CCOCCC#N)C[C@](C)(F)C1 ZINC000496079189 534836427 /nfs/dbraw/zinc/83/64/27/534836427.db2.gz BJDRSJQTMUJVHS-INIZCTEOSA-N 1 2 329.416 2.198 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCOCCC#N)C[C@](C)(F)C1 ZINC000496079189 534836431 /nfs/dbraw/zinc/83/64/31/534836431.db2.gz BJDRSJQTMUJVHS-INIZCTEOSA-N 1 2 329.416 2.198 20 30 EEEDLO COc1ccc([C@@H](CNc2ncccc2C#N)[NH+]2CCOCC2)cc1 ZINC000036226937 525189081 /nfs/dbraw/zinc/18/90/81/525189081.db2.gz GRQQEHZKQKHHCL-GOSISDBHSA-N 1 2 338.411 2.447 20 30 EEEDLO CCO[C@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C ZINC000451547040 535631121 /nfs/dbraw/zinc/63/11/21/535631121.db2.gz SVZRUOBAUONATR-PBHICJAKSA-N 1 2 336.457 2.079 20 30 EEEDLO CCO[C@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C ZINC000451547040 535631122 /nfs/dbraw/zinc/63/11/22/535631122.db2.gz SVZRUOBAUONATR-PBHICJAKSA-N 1 2 336.457 2.079 20 30 EEEDLO C#Cc1ccc(C(=O)NC2CC[NH+](c3ccc(OC)cc3)CC2)nc1 ZINC000728865674 576550758 /nfs/dbraw/zinc/55/07/58/576550758.db2.gz WESVLKUHPIVQPC-UHFFFAOYSA-N 1 2 335.407 2.470 20 30 EEEDLO C[C@@H](NC(=O)c1ccccc1SCC#N)[C@@H](C)[NH+]1CCOCC1 ZINC000729444378 576655305 /nfs/dbraw/zinc/65/53/05/576655305.db2.gz KEVGKXSDZIECCW-ZIAGYGMSSA-N 1 2 333.457 2.141 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)NC2CC2)cc1 ZINC000732055405 577144942 /nfs/dbraw/zinc/14/49/42/577144942.db2.gz KZTZIRXPTYWWHB-INIZCTEOSA-N 1 2 326.400 2.007 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)NC2CC2)cc1 ZINC000732055405 577144944 /nfs/dbraw/zinc/14/49/44/577144944.db2.gz KZTZIRXPTYWWHB-INIZCTEOSA-N 1 2 326.400 2.007 20 30 EEEDLO N#Cc1ccc(N2CC[C@@H](OC(=O)c3ccc4[nH+]ccn4c3)C2=O)cc1 ZINC000732348305 577173357 /nfs/dbraw/zinc/17/33/57/577173357.db2.gz JUCJOIFPSXFNNO-MRXNPFEDSA-N 1 2 346.346 2.168 20 30 EEEDLO Nc1ncccc1C=[NH+]Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764690925 577486775 /nfs/dbraw/zinc/48/67/75/577486775.db2.gz VNRMLORSGJLMAD-UHFFFAOYSA-N 1 2 326.328 2.106 20 30 EEEDLO COc1cc(N2CC[NH+](CC3(C#N)CC3)CC2)cc(OC)c1OC ZINC000759885781 577652984 /nfs/dbraw/zinc/65/29/84/577652984.db2.gz HCDLWZMQCUZRKK-UHFFFAOYSA-N 1 2 331.416 2.138 20 30 EEEDLO COc1ccc(NC(=S)N[NH+]=Cc2ccc3c(c2)CCN3C)cn1 ZINC000752729729 577775184 /nfs/dbraw/zinc/77/51/84/577775184.db2.gz BADDYRPSCBXGAS-UHFFFAOYSA-N 1 2 341.440 2.403 20 30 EEEDLO C=CCn1nnn(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c1=S ZINC000753101308 577781560 /nfs/dbraw/zinc/78/15/60/577781560.db2.gz ZMWLMKVQQHKXGY-INIZCTEOSA-N 1 2 345.472 2.286 20 30 EEEDLO C=CCn1nnn(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)c1=S ZINC000753101308 577781561 /nfs/dbraw/zinc/78/15/61/577781561.db2.gz ZMWLMKVQQHKXGY-INIZCTEOSA-N 1 2 345.472 2.286 20 30 EEEDLO CC[N@H+](Cc1ccccn1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000757844393 577865499 /nfs/dbraw/zinc/86/54/99/577865499.db2.gz ZEKBYRCTTHJAKR-UHFFFAOYSA-N 1 2 333.395 2.337 20 30 EEEDLO CC[N@@H+](Cc1ccccn1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000757844393 577865500 /nfs/dbraw/zinc/86/55/00/577865500.db2.gz ZEKBYRCTTHJAKR-UHFFFAOYSA-N 1 2 333.395 2.337 20 30 EEEDLO C#CCSCCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000740076365 578079788 /nfs/dbraw/zinc/07/97/88/578079788.db2.gz XJJCMVHTKPQIKI-RMKNXTFCSA-N 1 2 343.496 2.393 20 30 EEEDLO C=CCCOCC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000741982717 578126508 /nfs/dbraw/zinc/12/65/08/578126508.db2.gz ZPZLHDYCYPXGAS-UHFFFAOYSA-N 1 2 331.460 2.430 20 30 EEEDLO C=CCCOCC(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000741982717 578126509 /nfs/dbraw/zinc/12/65/09/578126509.db2.gz ZPZLHDYCYPXGAS-UHFFFAOYSA-N 1 2 331.460 2.430 20 30 EEEDLO C=CC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000121255253 674629229 /nfs/dbraw/zinc/62/92/29/674629229.db2.gz ZHQBXEMFYDNXSM-UHFFFAOYSA-N 1 2 327.384 2.266 20 30 EEEDLO C=CC[N@H+](C)CC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000121255253 674629231 /nfs/dbraw/zinc/62/92/31/674629231.db2.gz ZHQBXEMFYDNXSM-UHFFFAOYSA-N 1 2 327.384 2.266 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1nn(CC)nc1C ZINC000969168079 674654548 /nfs/dbraw/zinc/65/45/48/674654548.db2.gz WCNYVLXVVRRKJE-CQSZACIVSA-N 1 2 339.871 2.333 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1nn(CC)nc1C ZINC000969168079 674654551 /nfs/dbraw/zinc/65/45/51/674654551.db2.gz WCNYVLXVVRRKJE-CQSZACIVSA-N 1 2 339.871 2.333 20 30 EEEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000969515273 675081896 /nfs/dbraw/zinc/08/18/96/675081896.db2.gz ZSOUZKJGDBGVSI-NSHDSACASA-N 1 2 344.365 2.415 20 30 EEEDLO Cc1nc(C(=O)N[C@H](C)C2C[NH+](Cc3cc(C#N)ccc3F)C2)co1 ZINC000969528991 675090335 /nfs/dbraw/zinc/09/03/35/675090335.db2.gz IKEHBEBTRCHLSY-LLVKDONJSA-N 1 2 342.374 2.244 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc3cccnc3n2)C1 ZINC000969715730 675172508 /nfs/dbraw/zinc/17/25/08/675172508.db2.gz DQNKWERVBFEINI-LBPRGKRZSA-N 1 2 330.819 2.432 20 30 EEEDLO C[C@H](NC(=O)[C@@H]1CC12CC2)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970494602 675936599 /nfs/dbraw/zinc/93/65/99/675936599.db2.gz KNKOIIGGPRJTJO-LRDDRELGSA-N 1 2 327.403 2.434 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nc3ccccn3c2F)C1 ZINC000970688427 676079195 /nfs/dbraw/zinc/07/91/95/676079195.db2.gz ZOUIBOOEKXKHOE-NSHDSACASA-N 1 2 336.798 2.276 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)CCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001067450456 676230559 /nfs/dbraw/zinc/23/05/59/676230559.db2.gz RLKMRJRNIWWFHC-OAHLLOKOSA-N 1 2 334.464 2.353 20 30 EEEDLO C[C@@H](NC(=O)c1cnco1)C1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC000970230283 675730105 /nfs/dbraw/zinc/73/01/05/675730105.db2.gz BVNDVUJBWGOLJD-CYBMUJFWSA-N 1 2 343.814 2.430 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H](C)C2C[NH+](Cc3ncc(C)s3)C2)c1 ZINC000970397706 675851328 /nfs/dbraw/zinc/85/13/28/675851328.db2.gz GCGZHWYQYKOPRB-CYBMUJFWSA-N 1 2 340.452 2.078 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2Cc3cccc(F)c3O2)C1 ZINC000970910039 676232702 /nfs/dbraw/zinc/23/27/02/676232702.db2.gz KKWBSZZXBGCZSI-IAQYHMDHSA-N 1 2 338.810 2.318 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2cccnc2)C1 ZINC000971345094 676493345 /nfs/dbraw/zinc/49/33/45/676493345.db2.gz BPCVBBKMGBKPQB-AWEZNQCLSA-N 1 2 338.249 2.065 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)Cc2cccnc2)C1 ZINC000971345094 676493346 /nfs/dbraw/zinc/49/33/46/676493346.db2.gz BPCVBBKMGBKPQB-AWEZNQCLSA-N 1 2 338.249 2.065 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)n2cccc2)C1 ZINC000971361743 676500256 /nfs/dbraw/zinc/50/02/56/676500256.db2.gz ROBOXAOPAPPWQN-KGLIPLIRSA-N 1 2 340.265 2.490 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)n2cccc2)C1 ZINC000971361743 676500257 /nfs/dbraw/zinc/50/02/57/676500257.db2.gz ROBOXAOPAPPWQN-KGLIPLIRSA-N 1 2 340.265 2.490 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001022082004 676641518 /nfs/dbraw/zinc/64/15/18/676641518.db2.gz TYHBXFZCGUQNMO-IXDOHACOSA-N 1 2 349.438 2.138 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2nc(C)no2)C1 ZINC000971688678 676739103 /nfs/dbraw/zinc/73/91/03/676739103.db2.gz ZRAQPBKUGLQJGH-HIFRSBDPSA-N 1 2 343.431 2.273 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2nc(C)no2)C1 ZINC000971688678 676739104 /nfs/dbraw/zinc/73/91/04/676739104.db2.gz ZRAQPBKUGLQJGH-HIFRSBDPSA-N 1 2 343.431 2.273 20 30 EEEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C(F)F ZINC000972712150 679709661 /nfs/dbraw/zinc/70/96/61/679709661.db2.gz LAUAYUARBMABQR-CYBMUJFWSA-N 1 2 325.334 2.289 20 30 EEEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C(F)F ZINC000972712150 679709662 /nfs/dbraw/zinc/70/96/62/679709662.db2.gz LAUAYUARBMABQR-CYBMUJFWSA-N 1 2 325.334 2.289 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)C2)c1 ZINC001058539992 678305339 /nfs/dbraw/zinc/30/53/39/678305339.db2.gz QQBBGLIBUGYMDF-QGZVFWFLSA-N 1 2 349.438 2.293 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@H]([N@H+](C)Cc3csc(C)n3)C2)c1 ZINC000972291699 678503029 /nfs/dbraw/zinc/50/30/29/678503029.db2.gz FEUVKKPJILMCFL-KRWDZBQOSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@H]([N@@H+](C)Cc3csc(C)n3)C2)c1 ZINC000972291699 678503031 /nfs/dbraw/zinc/50/30/31/678503031.db2.gz FEUVKKPJILMCFL-KRWDZBQOSA-N 1 2 340.452 2.174 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000972360818 678607290 /nfs/dbraw/zinc/60/72/90/678607290.db2.gz ZTIMVXAAEBBEIE-XWIAVFTESA-N 1 2 345.418 2.155 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000972360818 678607291 /nfs/dbraw/zinc/60/72/91/678607291.db2.gz ZTIMVXAAEBBEIE-XWIAVFTESA-N 1 2 345.418 2.155 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)c3c(C)noc3C)C2)C1 ZINC000972433762 678734903 /nfs/dbraw/zinc/73/49/03/678734903.db2.gz CIFDMEZBXSBOHB-AUUYWEPGSA-N 1 2 347.459 2.274 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)c3c(C)noc3C)C2)C1 ZINC000972433762 678734905 /nfs/dbraw/zinc/73/49/05/678734905.db2.gz CIFDMEZBXSBOHB-AUUYWEPGSA-N 1 2 347.459 2.274 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(C)c(Cl)c3)C2)C1 ZINC000972432298 678735288 /nfs/dbraw/zinc/73/52/88/678735288.db2.gz ZXEUOWKGLHNSPH-LJQANCHMSA-N 1 2 346.858 2.127 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(C)c(Cl)c3)C2)C1 ZINC000972432298 678735295 /nfs/dbraw/zinc/73/52/95/678735295.db2.gz ZXEUOWKGLHNSPH-LJQANCHMSA-N 1 2 346.858 2.127 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3c(C)cccc3Cl)C2)C1 ZINC000972450105 678764382 /nfs/dbraw/zinc/76/43/82/678764382.db2.gz RMGGTIUICLLKQH-LJQANCHMSA-N 1 2 346.858 2.127 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3c(C)cccc3Cl)C2)C1 ZINC000972450105 678764387 /nfs/dbraw/zinc/76/43/87/678764387.db2.gz RMGGTIUICLLKQH-LJQANCHMSA-N 1 2 346.858 2.127 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cccc(C)c3)C2)C1 ZINC000972488177 678882021 /nfs/dbraw/zinc/88/20/21/678882021.db2.gz SEQAPKISBLNCHZ-HXUWFJFHSA-N 1 2 328.456 2.417 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cccc(C)c3)C2)C1 ZINC000972488177 678882024 /nfs/dbraw/zinc/88/20/24/678882024.db2.gz SEQAPKISBLNCHZ-HXUWFJFHSA-N 1 2 328.456 2.417 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000972508511 679120721 /nfs/dbraw/zinc/12/07/21/679120721.db2.gz VKANNLNYNBWKSF-RYRKJORJSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000972508511 679120722 /nfs/dbraw/zinc/12/07/22/679120722.db2.gz VKANNLNYNBWKSF-RYRKJORJSA-N 1 2 347.459 2.387 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(C(F)F)CCCC3)C2)C1 ZINC000972516618 679137525 /nfs/dbraw/zinc/13/75/25/679137525.db2.gz AUVJZMMBMPKYTF-MRXNPFEDSA-N 1 2 328.403 2.301 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(C(F)F)CCCC3)C2)C1 ZINC000972516618 679137527 /nfs/dbraw/zinc/13/75/27/679137527.db2.gz AUVJZMMBMPKYTF-MRXNPFEDSA-N 1 2 328.403 2.301 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)ccc3F)C2)C1 ZINC000972569561 679321347 /nfs/dbraw/zinc/32/13/47/679321347.db2.gz IXRACCDEUSPSEQ-IBGZPJMESA-N 1 2 330.403 2.074 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)ccc3F)C2)C1 ZINC000972569561 679321348 /nfs/dbraw/zinc/32/13/48/679321348.db2.gz IXRACCDEUSPSEQ-IBGZPJMESA-N 1 2 330.403 2.074 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Cc3cccs3)C2)C1 ZINC000972573504 679330202 /nfs/dbraw/zinc/33/02/02/679330202.db2.gz QQQWITLYXQHBFP-MAUKXSAKSA-N 1 2 334.485 2.416 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Cc3cccs3)C2)C1 ZINC000972573504 679330203 /nfs/dbraw/zinc/33/02/03/679330203.db2.gz QQQWITLYXQHBFP-MAUKXSAKSA-N 1 2 334.485 2.416 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](c3cccnc3)C(C)C)C2)C1 ZINC000972613066 679426109 /nfs/dbraw/zinc/42/61/09/679426109.db2.gz ZYRXVUCBHVNWMA-UYAOXDASSA-N 1 2 343.471 2.311 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](c3cccnc3)C(C)C)C2)C1 ZINC000972613066 679426112 /nfs/dbraw/zinc/42/61/12/679426112.db2.gz ZYRXVUCBHVNWMA-UYAOXDASSA-N 1 2 343.471 2.311 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cccc2)C1 ZINC000972616275 679427157 /nfs/dbraw/zinc/42/71/57/679427157.db2.gz WQKCXHCOWVIMRC-CQSZACIVSA-N 1 2 340.265 2.320 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)CCn2cccc2)C1 ZINC000972616275 679427160 /nfs/dbraw/zinc/42/71/60/679427160.db2.gz WQKCXHCOWVIMRC-CQSZACIVSA-N 1 2 340.265 2.320 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3Cc4c3cccc4Cl)C2)C1 ZINC000972691319 679611493 /nfs/dbraw/zinc/61/14/93/679611493.db2.gz AMQFZMJKDJINQT-APWZRJJASA-N 1 2 346.858 2.469 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3Cc4c3cccc4Cl)C2)C1 ZINC000972691319 679611497 /nfs/dbraw/zinc/61/14/97/679611497.db2.gz AMQFZMJKDJINQT-APWZRJJASA-N 1 2 346.858 2.469 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(-c4ccccc4)[nH]3)C2)C1 ZINC000972695975 679621738 /nfs/dbraw/zinc/62/17/38/679621738.db2.gz LFRYIHXKORRSOB-NRFANRHFSA-N 1 2 349.434 2.232 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(-c4ccccc4)[nH]3)C2)C1 ZINC000972695975 679621741 /nfs/dbraw/zinc/62/17/41/679621741.db2.gz LFRYIHXKORRSOB-NRFANRHFSA-N 1 2 349.434 2.232 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)[C@H](C)c3ncc(C)o3)C2)nc1 ZINC000972754010 679747784 /nfs/dbraw/zinc/74/77/84/679747784.db2.gz WAYNHXRBTBDKTQ-ZBFHGGJFSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@H](C)c3ncc(C)o3)C2)nc1 ZINC000972754010 679747785 /nfs/dbraw/zinc/74/77/85/679747785.db2.gz WAYNHXRBTBDKTQ-ZBFHGGJFSA-N 1 2 338.411 2.267 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2cocn2)cc1F ZINC001024362851 679879610 /nfs/dbraw/zinc/87/96/10/679879610.db2.gz PXQGXFLMBUATBH-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2cocn2)cc1F ZINC001024362851 679879611 /nfs/dbraw/zinc/87/96/11/679879611.db2.gz PXQGXFLMBUATBH-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1nnc2ccccc2n1 ZINC001024555324 680088292 /nfs/dbraw/zinc/08/82/92/680088292.db2.gz UNXZLUDPBAJQTL-CYBMUJFWSA-N 1 2 345.834 2.362 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1nnc2ccccc2n1 ZINC001024555324 680088298 /nfs/dbraw/zinc/08/82/98/680088298.db2.gz UNXZLUDPBAJQTL-CYBMUJFWSA-N 1 2 345.834 2.362 20 30 EEEDLO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(=O)ccoc2c1 ZINC001024759850 681419929 /nfs/dbraw/zinc/41/99/29/681419929.db2.gz LWVBENBPOLNYSE-MRXNPFEDSA-N 1 2 338.407 2.401 20 30 EEEDLO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(=O)ccoc2c1 ZINC001024759850 681419933 /nfs/dbraw/zinc/41/99/33/681419933.db2.gz LWVBENBPOLNYSE-MRXNPFEDSA-N 1 2 338.407 2.401 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)c1 ZINC001059059697 681430962 /nfs/dbraw/zinc/43/09/62/681430962.db2.gz DGUFPSIYOAKHEO-KRWDZBQOSA-N 1 2 347.422 2.365 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nnc(CC)o2)C1 ZINC001025074321 681971928 /nfs/dbraw/zinc/97/19/28/681971928.db2.gz LUCNEHLNEGVSQZ-CQSZACIVSA-N 1 2 332.448 2.459 20 30 EEEDLO CC(C)(C(=O)N1CCCC[C@H]1[C@@H]1CCCN1CC#N)c1c[nH+]c[nH]1 ZINC001025289271 682398254 /nfs/dbraw/zinc/39/82/54/682398254.db2.gz PKFYBLKMYYIQDA-GJZGRUSLSA-N 1 2 329.448 2.056 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C(C)(C)C1 ZINC000974849311 685623831 /nfs/dbraw/zinc/62/38/31/685623831.db2.gz STJDIIWLZJHFDB-BYNSBNAKSA-N 1 2 326.868 2.381 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C(C)(C)C1 ZINC000974849311 685623834 /nfs/dbraw/zinc/62/38/34/685623834.db2.gz STJDIIWLZJHFDB-BYNSBNAKSA-N 1 2 326.868 2.381 20 30 EEEDLO 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ZINC001059707992 688451364 /nfs/dbraw/zinc/45/13/64/688451364.db2.gz WPIUNWGIOKUFMY-HNNXBMFYSA-N 1 2 346.475 2.299 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([NH2+]Cc2nnc(CC)o2)[C@@H]1C ZINC000986363951 688534468 /nfs/dbraw/zinc/53/44/68/688534468.db2.gz LFUGALOJRNWMIJ-KBPBESRZSA-N 1 2 343.431 2.012 20 30 EEEDLO C=CCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001059718194 688577041 /nfs/dbraw/zinc/57/70/41/688577041.db2.gz OSJBUFIYKBDMGB-JKSUJKDBSA-N 1 2 346.475 2.299 20 30 EEEDLO C=CCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001059718194 688577043 /nfs/dbraw/zinc/57/70/43/688577043.db2.gz OSJBUFIYKBDMGB-JKSUJKDBSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001060178215 694257072 /nfs/dbraw/zinc/25/70/72/694257072.db2.gz NAXCGQOKJRJSSK-IRXDYDNUSA-N 1 2 346.475 2.230 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)[C@@H]1C ZINC000987311228 689593600 /nfs/dbraw/zinc/59/36/00/689593600.db2.gz 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/nfs/dbraw/zinc/00/26/39/1187002639.db2.gz QZNZNBXLJUUZIP-UONOGXRCSA-N 1 2 348.422 2.011 20 30 EEEDLO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N)cc1F ZINC001482586785 1187002645 /nfs/dbraw/zinc/00/26/45/1187002645.db2.gz QZNZNBXLJUUZIP-UONOGXRCSA-N 1 2 348.422 2.011 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc(OC(C)C)cn2)[C@H]1C ZINC001088566800 1187405787 /nfs/dbraw/zinc/40/57/87/1187405787.db2.gz FNBWVUCDHPSPCC-OLZOCXBDSA-N 1 2 338.839 2.209 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc(OC(C)C)cn2)[C@H]1C ZINC001088566800 1187405789 /nfs/dbraw/zinc/40/57/89/1187405789.db2.gz FNBWVUCDHPSPCC-OLZOCXBDSA-N 1 2 338.839 2.209 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)[C@H]1C ZINC001088740591 1188400463 /nfs/dbraw/zinc/40/04/63/1188400463.db2.gz GDDNDTWJQDFGQZ-BVUBDWEXSA-N 1 2 326.868 2.381 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)[C@H]1C ZINC001088740591 1188400467 /nfs/dbraw/zinc/40/04/67/1188400467.db2.gz GDDNDTWJQDFGQZ-BVUBDWEXSA-N 1 2 326.868 2.381 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2nc(C)c3cccnc32)[C@H]1C ZINC001088762871 1188478399 /nfs/dbraw/zinc/47/83/99/1188478399.db2.gz ZDHOZOKUQBQXQD-HIFRSBDPSA-N 1 2 347.850 2.071 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)c3cccnc32)[C@H]1C ZINC001088762871 1188478403 /nfs/dbraw/zinc/47/84/03/1188478403.db2.gz ZDHOZOKUQBQXQD-HIFRSBDPSA-N 1 2 347.850 2.071 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)[C@H]1C ZINC001088790456 1188516722 /nfs/dbraw/zinc/51/67/22/1188516722.db2.gz LYYGTYFKECFBAN-DOMZBBRYSA-N 1 2 345.834 2.417 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)[C@H]1C ZINC001088790456 1188516724 /nfs/dbraw/zinc/51/67/24/1188516724.db2.gz LYYGTYFKECFBAN-DOMZBBRYSA-N 1 2 345.834 2.417 20 30 EEEDLO O=C(c1cnco1)N1CC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001076102434 1188711114 /nfs/dbraw/zinc/71/11/14/1188711114.db2.gz NXGPXHARHWHQSO-DOTOQJQBSA-N 1 2 339.370 2.012 20 30 EEEDLO O=C(c1cnco1)N1CC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001076102434 1188711115 /nfs/dbraw/zinc/71/11/15/1188711115.db2.gz NXGPXHARHWHQSO-DOTOQJQBSA-N 1 2 339.370 2.012 20 30 EEEDLO N#Cc1ccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)nc1C(F)(F)F ZINC001168367509 1189189877 /nfs/dbraw/zinc/18/98/77/1189189877.db2.gz OZGLKRNLVUGMON-LLVKDONJSA-N 1 2 326.322 2.247 20 30 EEEDLO N#Cc1ccc(N[C@@H]2CCC[N@H+](C3COC3)C2)nc1C(F)(F)F ZINC001168367509 1189189881 /nfs/dbraw/zinc/18/98/81/1189189881.db2.gz OZGLKRNLVUGMON-LLVKDONJSA-N 1 2 326.322 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1sc(COC)nc1C ZINC001409667301 1190166373 /nfs/dbraw/zinc/16/63/73/1190166373.db2.gz VYFVQPMDUVAXST-SNVBAGLBSA-N 1 2 331.869 2.401 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1sc(COC)nc1C ZINC001409667301 1190166376 /nfs/dbraw/zinc/16/63/76/1190166376.db2.gz VYFVQPMDUVAXST-SNVBAGLBSA-N 1 2 331.869 2.401 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)[C@H]4CCC(C)(C)C4)C3)C2)cc1C#N ZINC001272412119 1190807222 /nfs/dbraw/zinc/80/72/22/1190807222.db2.gz ZYTGJPYFJQYGJY-INIZCTEOSA-N 1 2 340.471 2.367 20 30 EEEDLO CCCCCCC[NH+]1CC2(C1)COCC(=O)N2CC(=O)C(C)(C)C ZINC001272476945 1190842178 /nfs/dbraw/zinc/84/21/78/1190842178.db2.gz UKEGIYWOTVDOTF-UHFFFAOYSA-N 1 2 338.492 2.485 20 30 EEEDLO Cc1cc(C[NH+]2CCC3(CCC(=O)N(CCCC#N)C3)CC2)n[nH]1 ZINC001272542679 1190872237 /nfs/dbraw/zinc/87/22/37/1190872237.db2.gz DVPNGOZFRUTONZ-UHFFFAOYSA-N 1 2 329.448 2.227 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2cccs2)n[nH]1 ZINC001017985164 1224174875 /nfs/dbraw/zinc/17/48/75/1224174875.db2.gz FYCNKLGLFCDGDM-OKILXGFUSA-N 1 2 340.452 2.450 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2cccs2)n[nH]1 ZINC001017985164 1224174878 /nfs/dbraw/zinc/17/48/78/1224174878.db2.gz FYCNKLGLFCDGDM-OKILXGFUSA-N 1 2 340.452 2.450 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2cccc(OC)c2)CC1 ZINC001018005755 1224205296 /nfs/dbraw/zinc/20/52/96/1224205296.db2.gz UVACWHRTIZMDHO-HDICACEKSA-N 1 2 338.451 2.425 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2cccc(OC)c2)CC1 ZINC001018005755 1224205300 /nfs/dbraw/zinc/20/53/00/1224205300.db2.gz UVACWHRTIZMDHO-HDICACEKSA-N 1 2 338.451 2.425 20 30 EEEDLO Cc1nocc1C(=O)N(C)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033379485 1194493187 /nfs/dbraw/zinc/49/31/87/1194493187.db2.gz VDTQMBXAIWJVCO-KRWDZBQOSA-N 1 2 341.386 2.320 20 30 EEEDLO Cc1nocc1C(=O)N(C)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033379485 1194493189 /nfs/dbraw/zinc/49/31/89/1194493189.db2.gz VDTQMBXAIWJVCO-KRWDZBQOSA-N 1 2 341.386 2.320 20 30 EEEDLO CN(C(=O)c1ccn[nH]1)C1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC001005135762 1194513226 /nfs/dbraw/zinc/51/32/26/1194513226.db2.gz DKHFIOGXFWLXMQ-UHFFFAOYSA-N 1 2 341.390 2.157 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001033432770 1194552376 /nfs/dbraw/zinc/55/23/76/1194552376.db2.gz QWWAFUFCOOGFFB-KFWWJZLASA-N 1 2 335.473 2.075 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001033432770 1194552379 /nfs/dbraw/zinc/55/23/79/1194552379.db2.gz QWWAFUFCOOGFFB-KFWWJZLASA-N 1 2 335.473 2.075 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001033786057 1195250843 /nfs/dbraw/zinc/25/08/43/1195250843.db2.gz QMBJFZHTRKENAH-OAHLLOKOSA-N 1 2 343.456 2.388 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001033786057 1195250845 /nfs/dbraw/zinc/25/08/45/1195250845.db2.gz QMBJFZHTRKENAH-OAHLLOKOSA-N 1 2 343.456 2.388 20 30 EEEDLO CCN(C(=O)c1ccc(C)nn1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033823756 1195313351 /nfs/dbraw/zinc/31/33/51/1195313351.db2.gz SCEDRZXGJUJNPP-SFHVURJKSA-N 1 2 349.438 2.393 20 30 EEEDLO CCN(C(=O)c1ccc(C)nn1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033823756 1195313355 /nfs/dbraw/zinc/31/33/55/1195313355.db2.gz SCEDRZXGJUJNPP-SFHVURJKSA-N 1 2 349.438 2.393 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H](NC(=O)C(F)F)C2)c1 ZINC001034066368 1195720100 /nfs/dbraw/zinc/72/01/00/1195720100.db2.gz XODZYOLSXJGXER-CYBMUJFWSA-N 1 2 325.334 2.433 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H](NC(=O)C(F)F)C2)c1 ZINC001034066368 1195720102 /nfs/dbraw/zinc/72/01/02/1195720102.db2.gz XODZYOLSXJGXER-CYBMUJFWSA-N 1 2 325.334 2.433 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)c1 ZINC001061725713 1195753095 /nfs/dbraw/zinc/75/30/95/1195753095.db2.gz YIMHVCRMGVPPPO-KRWDZBQOSA-N 1 2 349.438 2.034 20 30 EEEDLO C[C@H](c1ncccn1)[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001034165831 1195885369 /nfs/dbraw/zinc/88/53/69/1195885369.db2.gz RALKEDWNUXHJMP-HIFRSBDPSA-N 1 2 338.415 2.022 20 30 EEEDLO C[C@H](c1ncccn1)[N@H+]1CCCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001034165831 1195885373 /nfs/dbraw/zinc/88/53/73/1195885373.db2.gz RALKEDWNUXHJMP-HIFRSBDPSA-N 1 2 338.415 2.022 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccnn2CC(F)F)C1 ZINC001034212047 1195951333 /nfs/dbraw/zinc/95/13/33/1195951333.db2.gz VDBZJIOVZCREIC-LBPRGKRZSA-N 1 2 346.809 2.485 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccnn2CC(F)F)C1 ZINC001034212047 1195951339 /nfs/dbraw/zinc/95/13/39/1195951339.db2.gz VDBZJIOVZCREIC-LBPRGKRZSA-N 1 2 346.809 2.485 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCCC[N@H+](Cc2cnns2)C1 ZINC001034247335 1195980360 /nfs/dbraw/zinc/98/03/60/1195980360.db2.gz MOVMALJQEKEVSJ-CQSZACIVSA-N 1 2 345.472 2.310 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cnns2)C1 ZINC001034247335 1195980363 /nfs/dbraw/zinc/98/03/63/1195980363.db2.gz MOVMALJQEKEVSJ-CQSZACIVSA-N 1 2 345.472 2.310 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H](Nc2[nH+]cnc3c2cnn3C)[C@@H]1C ZINC001090239503 1196541409 /nfs/dbraw/zinc/54/14/09/1196541409.db2.gz QADZDKHQXZNPKC-YDHLFZDLSA-N 1 2 342.447 2.367 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001078987737 1196712594 /nfs/dbraw/zinc/71/25/94/1196712594.db2.gz AAGVKWLEEWKGGT-MRXNPFEDSA-N 1 2 332.448 2.148 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001078987737 1196712597 /nfs/dbraw/zinc/71/25/97/1196712597.db2.gz AAGVKWLEEWKGGT-MRXNPFEDSA-N 1 2 332.448 2.148 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001078988944 1196743605 /nfs/dbraw/zinc/74/36/05/1196743605.db2.gz VIKSLKZGLIYCIQ-INIZCTEOSA-N 1 2 346.475 2.394 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001078988944 1196743608 /nfs/dbraw/zinc/74/36/08/1196743608.db2.gz VIKSLKZGLIYCIQ-INIZCTEOSA-N 1 2 346.475 2.394 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C2CCC2)C2CCC2)C1 ZINC001108162777 1196755448 /nfs/dbraw/zinc/75/54/48/1196755448.db2.gz YDOXXGXTVYQMAA-FQEVSTJZSA-N 1 2 332.488 2.433 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C2CCC2)C2CCC2)C1 ZINC001108162777 1196755453 /nfs/dbraw/zinc/75/54/53/1196755453.db2.gz YDOXXGXTVYQMAA-FQEVSTJZSA-N 1 2 332.488 2.433 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2nsnc21 ZINC001018131967 1224371594 /nfs/dbraw/zinc/37/15/94/1224371594.db2.gz XMLLSAAOPFMFKK-BETUJISGSA-N 1 2 326.425 2.003 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2nsnc21 ZINC001018131967 1224371602 /nfs/dbraw/zinc/37/16/02/1224371602.db2.gz XMLLSAAOPFMFKK-BETUJISGSA-N 1 2 326.425 2.003 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(F)(F)F)ccn1 ZINC001018140616 1224382429 /nfs/dbraw/zinc/38/24/29/1224382429.db2.gz WTPZZQWQKIGKIT-OKILXGFUSA-N 1 2 337.345 2.413 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(F)(F)F)ccn1 ZINC001018140616 1224382439 /nfs/dbraw/zinc/38/24/39/1224382439.db2.gz WTPZZQWQKIGKIT-OKILXGFUSA-N 1 2 337.345 2.413 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCc2nc(C)no2)[C@H]1C ZINC001410934481 1198603918 /nfs/dbraw/zinc/60/39/18/1198603918.db2.gz UBUODYTZTCDWIB-TZMCWYRMSA-N 1 2 340.855 2.422 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCc2nc(C)no2)[C@H]1C ZINC001410934481 1198603922 /nfs/dbraw/zinc/60/39/22/1198603922.db2.gz UBUODYTZTCDWIB-TZMCWYRMSA-N 1 2 340.855 2.422 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@@H](NC(=O)Cn3cc[nH+]c3)CC[C@H]2C)CC1 ZINC001018229913 1224498676 /nfs/dbraw/zinc/49/86/76/1224498676.db2.gz HSDQBKVAOVFVEI-WBVHZDCISA-N 1 2 344.459 2.125 20 30 EEEDLO CC[C@@H](C)N1CC2(C[NH+](CCCc3ccc(C#N)cc3)C2)OCC1=O ZINC001273439308 1198953950 /nfs/dbraw/zinc/95/39/50/1198953950.db2.gz FFODOHJZVVWNSX-MRXNPFEDSA-N 1 2 341.455 2.203 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)c(C)c(OC)c1 ZINC001018247391 1224523785 /nfs/dbraw/zinc/52/37/85/1224523785.db2.gz ZPNLNLFNVVUENL-CALCHBBNSA-N 1 2 342.439 2.324 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)c(C)c(OC)c1 ZINC001018247391 1224523789 /nfs/dbraw/zinc/52/37/89/1224523789.db2.gz ZPNLNLFNVVUENL-CALCHBBNSA-N 1 2 342.439 2.324 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCc2cnn(C)c2C)CC[C@H]1C ZINC001132069356 1199261853 /nfs/dbraw/zinc/26/18/53/1199261853.db2.gz SWNFBFCCDFGYCP-CJNGLKHVSA-N 1 2 338.883 2.383 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCc2cnn(C)c2C)CC[C@H]1C ZINC001132069356 1199261858 /nfs/dbraw/zinc/26/18/58/1199261858.db2.gz SWNFBFCCDFGYCP-CJNGLKHVSA-N 1 2 338.883 2.383 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCc2ccco2)C1 ZINC001132073398 1199265970 /nfs/dbraw/zinc/26/59/70/1199265970.db2.gz VTEPERUQVRYVNT-HOTGVXAUSA-N 1 2 347.459 2.221 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NCc2ccco2)C1 ZINC001132073398 1199265974 /nfs/dbraw/zinc/26/59/74/1199265974.db2.gz VTEPERUQVRYVNT-HOTGVXAUSA-N 1 2 347.459 2.221 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1O ZINC001090517894 1199442783 /nfs/dbraw/zinc/44/27/83/1199442783.db2.gz NXUAQLLOVNNXAJ-BZUAXINKSA-N 1 2 346.475 2.176 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001132250247 1199479633 /nfs/dbraw/zinc/47/96/33/1199479633.db2.gz ZLMUXFDWRYODDI-LSDHHAIUSA-N 1 2 348.443 2.474 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001132250247 1199479635 /nfs/dbraw/zinc/47/96/35/1199479635.db2.gz ZLMUXFDWRYODDI-LSDHHAIUSA-N 1 2 348.443 2.474 20 30 EEEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)CCCCC)CC[C@@H]1C ZINC001132420387 1199670154 /nfs/dbraw/zinc/67/01/54/1199670154.db2.gz RQOKJRYFKMSCID-HOTGVXAUSA-N 1 2 344.521 2.137 20 30 EEEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)CCCCC)CC[C@@H]1C ZINC001132420387 1199670158 /nfs/dbraw/zinc/67/01/58/1199670158.db2.gz RQOKJRYFKMSCID-HOTGVXAUSA-N 1 2 344.521 2.137 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3cnnn3C)C2)CCCC1 ZINC001132546694 1199843766 /nfs/dbraw/zinc/84/37/66/1199843766.db2.gz PXRICAPCSHAONI-HOTGVXAUSA-N 1 2 345.491 2.421 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3cnnn3C)C2)CCCC1 ZINC001132546694 1199843768 /nfs/dbraw/zinc/84/37/68/1199843768.db2.gz PXRICAPCSHAONI-HOTGVXAUSA-N 1 2 345.491 2.421 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)C(CC)CC)CC[C@@H]1C ZINC001132546876 1199844620 /nfs/dbraw/zinc/84/46/20/1199844620.db2.gz 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DCOCNFXPDCMSFL-DOTOQJQBSA-N 1 2 345.418 2.205 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)c(C)s1 ZINC001007154777 1222112153 /nfs/dbraw/zinc/11/21/53/1222112153.db2.gz IGNQHIWXERTFHO-CQSZACIVSA-N 1 2 343.456 2.354 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)c(C)s1 ZINC001007154777 1222112157 /nfs/dbraw/zinc/11/21/57/1222112157.db2.gz IGNQHIWXERTFHO-CQSZACIVSA-N 1 2 343.456 2.354 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)c1ncc[nH]1 ZINC001007285622 1222155862 /nfs/dbraw/zinc/15/58/62/1222155862.db2.gz JLVCUAMMMWTFPF-INIZCTEOSA-N 1 2 342.830 2.309 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)c1ncc[nH]1 ZINC001007285622 1222155867 /nfs/dbraw/zinc/15/58/67/1222155867.db2.gz JLVCUAMMMWTFPF-INIZCTEOSA-N 1 2 342.830 2.309 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cnn3ccccc23)C1 ZINC001007515862 1222271085 /nfs/dbraw/zinc/27/10/85/1222271085.db2.gz BOBQGKOBYHBVQZ-HNNXBMFYSA-N 1 2 332.835 2.210 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cnn3ccccc23)C1 ZINC001007515862 1222271089 /nfs/dbraw/zinc/27/10/89/1222271089.db2.gz BOBQGKOBYHBVQZ-HNNXBMFYSA-N 1 2 332.835 2.210 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2cnc3n2CCC3)C1 ZINC001007520379 1222274556 /nfs/dbraw/zinc/27/45/56/1222274556.db2.gz BATBFUGKBCGUBR-QGZVFWFLSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2cnc3n2CCC3)C1 ZINC001007520379 1222274560 /nfs/dbraw/zinc/27/45/60/1222274560.db2.gz BATBFUGKBCGUBR-QGZVFWFLSA-N 1 2 349.438 2.095 20 30 EEEDLO CCc1n[nH]cc1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001007756515 1222402507 /nfs/dbraw/zinc/40/25/07/1222402507.db2.gz KIAIUNXIEHWECD-KRWDZBQOSA-N 1 2 336.439 2.218 20 30 EEEDLO CCc1n[nH]cc1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001007756515 1222402508 /nfs/dbraw/zinc/40/25/08/1222402508.db2.gz KIAIUNXIEHWECD-KRWDZBQOSA-N 1 2 336.439 2.218 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001008116503 1222631040 /nfs/dbraw/zinc/63/10/40/1222631040.db2.gz PMAJLFSKXSXENO-ZFWWWQNUSA-N 1 2 347.846 2.446 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001008116503 1222631042 /nfs/dbraw/zinc/63/10/42/1222631042.db2.gz PMAJLFSKXSXENO-ZFWWWQNUSA-N 1 2 347.846 2.446 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)[nH]1 ZINC001008570751 1222934261 /nfs/dbraw/zinc/93/42/61/1222934261.db2.gz SSHOTMOELFHTQZ-QGZVFWFLSA-N 1 2 337.427 2.293 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)[nH]1 ZINC001008570751 1222934264 /nfs/dbraw/zinc/93/42/64/1222934264.db2.gz SSHOTMOELFHTQZ-QGZVFWFLSA-N 1 2 337.427 2.293 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)O1 ZINC001008598413 1222952422 /nfs/dbraw/zinc/95/24/22/1222952422.db2.gz NUMHTQOOABYJKW-ATZDWAIDSA-N 1 2 344.430 2.325 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)O1 ZINC001008598413 1222952423 /nfs/dbraw/zinc/95/24/23/1222952423.db2.gz NUMHTQOOABYJKW-ATZDWAIDSA-N 1 2 344.430 2.325 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCCCN2C(C)=O)C1 ZINC001008826161 1223051462 /nfs/dbraw/zinc/05/14/62/1223051462.db2.gz HATZQERUEXNNEL-JKSUJKDBSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCCCN2C(C)=O)C1 ZINC001008826161 1223051466 /nfs/dbraw/zinc/05/14/66/1223051466.db2.gz HATZQERUEXNNEL-JKSUJKDBSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CCC)C1 ZINC001009612841 1223302053 /nfs/dbraw/zinc/30/20/53/1223302053.db2.gz UMJAZGHKINYJJM-CABCVRRESA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CCC)C1 ZINC001009612841 1223302056 /nfs/dbraw/zinc/30/20/56/1223302056.db2.gz UMJAZGHKINYJJM-CABCVRRESA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001009650503 1223321117 /nfs/dbraw/zinc/32/11/17/1223321117.db2.gz ONCIWRVWHBIXKM-CQSZACIVSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001009650503 1223321119 /nfs/dbraw/zinc/32/11/19/1223321119.db2.gz ONCIWRVWHBIXKM-CQSZACIVSA-N 1 2 345.834 2.418 20 30 EEEDLO Cn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010243895 1223624300 /nfs/dbraw/zinc/62/43/00/1223624300.db2.gz OAMQAKAVZSSYKS-HNNXBMFYSA-N 1 2 326.375 2.040 20 30 EEEDLO Cn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010243895 1223624303 /nfs/dbraw/zinc/62/43/03/1223624303.db2.gz OAMQAKAVZSSYKS-HNNXBMFYSA-N 1 2 326.375 2.040 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)o1 ZINC001010431173 1223716400 /nfs/dbraw/zinc/71/64/00/1223716400.db2.gz DEORFEQKYDWNCU-LBPRGKRZSA-N 1 2 330.413 2.229 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)o1 ZINC001010431173 1223716404 /nfs/dbraw/zinc/71/64/04/1223716404.db2.gz DEORFEQKYDWNCU-LBPRGKRZSA-N 1 2 330.413 2.229 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CCCCO1 ZINC001010629574 1223820790 /nfs/dbraw/zinc/82/07/90/1223820790.db2.gz MQFIYNPJHHMOHG-ZWKOTPCHSA-N 1 2 346.858 2.451 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CCCCO1 ZINC001010629574 1223820791 /nfs/dbraw/zinc/82/07/91/1223820791.db2.gz MQFIYNPJHHMOHG-ZWKOTPCHSA-N 1 2 346.858 2.451 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(NC(=O)Cc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001014515390 1226707290 /nfs/dbraw/zinc/70/72/90/1226707290.db2.gz UEKLPBJLDUUDHG-IPELMVKDSA-N 1 2 344.459 2.194 20 30 EEEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc[nH]c(=O)c2s1 ZINC001017687789 1227639883 /nfs/dbraw/zinc/63/98/83/1227639883.db2.gz SBSNOZQQPJAZRM-BETUJISGSA-N 1 2 329.425 2.064 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc[nH]c(=O)c2s1 ZINC001017687789 1227639886 /nfs/dbraw/zinc/63/98/86/1227639886.db2.gz SBSNOZQQPJAZRM-BETUJISGSA-N 1 2 329.425 2.064 20 30 EEEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC001017840306 1227784988 /nfs/dbraw/zinc/78/49/88/1227784988.db2.gz CFKMKOJBPCSKAX-MXASKKJJSA-N 1 2 328.460 2.327 20 30 EEEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC001017840306 1227784990 /nfs/dbraw/zinc/78/49/90/1227784990.db2.gz CFKMKOJBPCSKAX-MXASKKJJSA-N 1 2 328.460 2.327 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001018977889 1228600343 /nfs/dbraw/zinc/60/03/43/1228600343.db2.gz IHBVXKPSTPPMCW-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO CC(C)c1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001038153305 1229668313 /nfs/dbraw/zinc/66/83/13/1229668313.db2.gz OMKBAABIFVTNLR-MRXNPFEDSA-N 1 2 337.427 2.409 20 30 EEEDLO CC(C)c1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001038153305 1229668315 /nfs/dbraw/zinc/66/83/15/1229668315.db2.gz OMKBAABIFVTNLR-MRXNPFEDSA-N 1 2 337.427 2.409 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)C2)cn1 ZINC001058407438 1248997885 /nfs/dbraw/zinc/99/78/85/1248997885.db2.gz KUZZBYDVEOTIBF-QGZVFWFLSA-N 1 2 349.438 2.293 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001038747238 1230018152 /nfs/dbraw/zinc/01/81/52/1230018152.db2.gz VUYSJKZFSPZOIM-HOTGVXAUSA-N 1 2 325.412 2.057 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001038747238 1230018155 /nfs/dbraw/zinc/01/81/55/1230018155.db2.gz VUYSJKZFSPZOIM-HOTGVXAUSA-N 1 2 325.412 2.057 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@@H]1[C@@H]1CC[N@H+](Cc2nncs2)C1 ZINC001039220692 1230451775 /nfs/dbraw/zinc/45/17/75/1230451775.db2.gz CUQRJPLIDHYOAL-HZPDHXFCSA-N 1 2 344.484 2.155 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@@H]1[C@@H]1CC[N@@H+](Cc2nncs2)C1 ZINC001039220692 1230451778 /nfs/dbraw/zinc/45/17/78/1230451778.db2.gz CUQRJPLIDHYOAL-HZPDHXFCSA-N 1 2 344.484 2.155 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3Cc2c[nH+]cn2C)cc1 ZINC001039816914 1230830668 /nfs/dbraw/zinc/83/06/68/1230830668.db2.gz AFZIFDUIEUQZQE-KDURUIRLSA-N 1 2 348.450 2.281 20 30 EEEDLO N#CCN1CCC[C@@]2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC001040318022 1231166614 /nfs/dbraw/zinc/16/66/14/1231166614.db2.gz PUPICCZUWZTTCX-HXUWFJFHSA-N 1 2 349.438 2.324 20 30 EEEDLO Cc1nc(N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)cc[nH+]1 ZINC001067322014 1231323790 /nfs/dbraw/zinc/32/37/90/1231323790.db2.gz NIUBJCSYVNMTCI-HNNXBMFYSA-N 1 2 338.415 2.020 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ncnn3CC)C2)C1 ZINC001041624836 1231628579 /nfs/dbraw/zinc/62/85/79/1231628579.db2.gz DDGHVSMHLQMDSE-RTBURBONSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ncnn3CC)C2)C1 ZINC001041624836 1231628581 /nfs/dbraw/zinc/62/85/81/1231628581.db2.gz DDGHVSMHLQMDSE-RTBURBONSA-N 1 2 345.491 2.325 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](Cc4cscn4)[C@H]3C2)[nH]1 ZINC001042015940 1231832712 /nfs/dbraw/zinc/83/27/12/1231832712.db2.gz MLYBAZWGJHPDJD-WBMJQRKESA-N 1 2 341.440 2.079 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cscn4)[C@H]3C2)[nH]1 ZINC001042015940 1231832714 /nfs/dbraw/zinc/83/27/14/1231832714.db2.gz MLYBAZWGJHPDJD-WBMJQRKESA-N 1 2 341.440 2.079 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)cs1 ZINC001042045212 1231850882 /nfs/dbraw/zinc/85/08/82/1231850882.db2.gz VJWZVIGETZWSRE-DOTOQJQBSA-N 1 2 329.469 2.288 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)cs1 ZINC001042045212 1231850885 /nfs/dbraw/zinc/85/08/85/1231850885.db2.gz VJWZVIGETZWSRE-DOTOQJQBSA-N 1 2 329.469 2.288 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCCCN(CC)c1[nH+]cnc2c1cnn2C ZINC001095946864 1232469549 /nfs/dbraw/zinc/46/95/49/1232469549.db2.gz OWSNEAYCJKIHJA-AWEZNQCLSA-N 1 2 344.463 2.298 20 30 EEEDLO C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1c1cccc(F)c1C#N ZINC001067550953 1249210799 /nfs/dbraw/zinc/21/07/99/1249210799.db2.gz ZUOXEVGEIZTDAQ-QWHCGFSZSA-N 1 2 341.390 2.137 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncnn1CC ZINC001045827313 1234041576 /nfs/dbraw/zinc/04/15/76/1234041576.db2.gz KHQXHDKTKMWHBM-CABCVRRESA-N 1 2 331.464 2.076 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncnn1CC ZINC001045827313 1234041580 /nfs/dbraw/zinc/04/15/80/1234041580.db2.gz KHQXHDKTKMWHBM-CABCVRRESA-N 1 2 331.464 2.076 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1[nH]nnc1C)C2 ZINC001045956853 1234228011 /nfs/dbraw/zinc/22/80/11/1234228011.db2.gz UYBSKWFGBCJJFE-INIZCTEOSA-N 1 2 337.855 2.184 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1[nH]nnc1C)C2 ZINC001045956853 1234228013 /nfs/dbraw/zinc/22/80/13/1234228013.db2.gz UYBSKWFGBCJJFE-INIZCTEOSA-N 1 2 337.855 2.184 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC=C)CC1 ZINC000800783568 1234564622 /nfs/dbraw/zinc/56/46/22/1234564622.db2.gz DHQCJDMZIUWJCM-UHFFFAOYSA-N 1 2 335.455 2.449 20 30 EEEDLO C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@H+](Cc2ccncc2Cl)C1 ZINC001046224645 1234571775 /nfs/dbraw/zinc/57/17/75/1234571775.db2.gz TZJJPMXIEWBXKA-QGZVFWFLSA-N 1 2 343.818 2.329 20 30 EEEDLO C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001046224645 1234571778 /nfs/dbraw/zinc/57/17/78/1234571778.db2.gz TZJJPMXIEWBXKA-QGZVFWFLSA-N 1 2 343.818 2.329 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](Cc3nc(C)oc3C)C2)cn1 ZINC001046778554 1235177111 /nfs/dbraw/zinc/17/71/11/1235177111.db2.gz HOGGMHGIDMRNBF-LJQANCHMSA-N 1 2 338.411 2.062 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](Cc3nc(C)oc3C)C2)cn1 ZINC001046778554 1235177113 /nfs/dbraw/zinc/17/71/13/1235177113.db2.gz HOGGMHGIDMRNBF-LJQANCHMSA-N 1 2 338.411 2.062 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001046858517 1235255448 /nfs/dbraw/zinc/25/54/48/1235255448.db2.gz PZCDXPPVAXAATK-KRWDZBQOSA-N 1 2 348.834 2.226 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001046858517 1235255450 /nfs/dbraw/zinc/25/54/50/1235255450.db2.gz PZCDXPPVAXAATK-KRWDZBQOSA-N 1 2 348.834 2.226 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001046881845 1235279374 /nfs/dbraw/zinc/27/93/74/1235279374.db2.gz XGTOKEHICPPLRS-KRWDZBQOSA-N 1 2 348.834 2.226 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001046881845 1235279379 /nfs/dbraw/zinc/27/93/79/1235279379.db2.gz XGTOKEHICPPLRS-KRWDZBQOSA-N 1 2 348.834 2.226 20 30 EEEDLO CC(C)(C(=O)N1CCC[C@@H](C2CCN(CC#N)CC2)C1)c1c[nH+]c[nH]1 ZINC001047263598 1235774412 /nfs/dbraw/zinc/77/44/12/1235774412.db2.gz IQBASRXQKJBGBV-MRXNPFEDSA-N 1 2 343.475 2.161 20 30 EEEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000801917817 1236423549 /nfs/dbraw/zinc/42/35/49/1236423549.db2.gz QZJOAOXSWQSAMF-LBPRGKRZSA-N 1 2 339.798 2.166 20 30 EEEDLO C#CC[N@@H+](CC(=O)N1CCCC[C@H]1C(=O)OCC)Cc1ccccc1 ZINC000796631180 1249674037 /nfs/dbraw/zinc/67/40/37/1249674037.db2.gz DHGTWJWGTJWIFW-SFHVURJKSA-N 1 2 342.439 2.066 20 30 EEEDLO C#CC[N@H+](CC(=O)N1CCCC[C@H]1C(=O)OCC)Cc1ccccc1 ZINC000796631180 1249674052 /nfs/dbraw/zinc/67/40/52/1249674052.db2.gz DHGTWJWGTJWIFW-SFHVURJKSA-N 1 2 342.439 2.066 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CCCn1cc[nH+]c1 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ZGVKRDMIUVAFJO-IBGZPJMESA-N 1 2 341.455 2.070 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2cnccc2n1 ZINC001051143346 1245040976 /nfs/dbraw/zinc/04/09/76/1245040976.db2.gz SHVRQMLXKIYOGU-INIZCTEOSA-N 1 2 340.427 2.027 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2cnccc2n1 ZINC001051143346 1245040983 /nfs/dbraw/zinc/04/09/83/1245040983.db2.gz SHVRQMLXKIYOGU-INIZCTEOSA-N 1 2 340.427 2.027 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1noc2c1C[C@H](C)CC2 ZINC001051188512 1245366286 /nfs/dbraw/zinc/36/62/86/1245366286.db2.gz DPZCOVJJQKHCNS-CABCVRRESA-N 1 2 347.459 2.196 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1noc2c1C[C@H](C)CC2 ZINC001051188512 1245366291 /nfs/dbraw/zinc/36/62/91/1245366291.db2.gz DPZCOVJJQKHCNS-CABCVRRESA-N 1 2 347.459 2.196 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cncc(C(F)(F)F)c1 ZINC001051199145 1245377606 /nfs/dbraw/zinc/37/76/06/1245377606.db2.gz FIOPELYNUQERSB-CQSZACIVSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cncc(C(F)(F)F)c1 ZINC001051199145 1245377611 /nfs/dbraw/zinc/37/76/11/1245377611.db2.gz FIOPELYNUQERSB-CQSZACIVSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnn(C2CCCC2)c1C ZINC001051201431 1245380843 /nfs/dbraw/zinc/38/08/43/1245380843.db2.gz LZMRJBUVAMUPBE-KRWDZBQOSA-N 1 2 346.475 2.313 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnn(C2CCCC2)c1C ZINC001051201431 1245380845 /nfs/dbraw/zinc/38/08/45/1245380845.db2.gz LZMRJBUVAMUPBE-KRWDZBQOSA-N 1 2 346.475 2.313 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1OC(C)C ZINC001051213871 1245399627 /nfs/dbraw/zinc/39/96/27/1245399627.db2.gz GPQTUMBRANCQLO-INIZCTEOSA-N 1 2 332.444 2.481 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1OC(C)C ZINC001051213871 1245399634 /nfs/dbraw/zinc/39/96/34/1245399634.db2.gz GPQTUMBRANCQLO-INIZCTEOSA-N 1 2 332.444 2.481 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001052900923 1245460013 /nfs/dbraw/zinc/46/00/13/1245460013.db2.gz CLPJNHOBVDNYPT-DZGCQCFKSA-N 1 2 340.427 2.353 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc2c1OCC2(C)C ZINC001051270624 1245462420 /nfs/dbraw/zinc/46/24/20/1245462420.db2.gz URFDSLPVNGSUEA-OAHLLOKOSA-N 1 2 344.455 2.363 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc2c1OCC2(C)C ZINC001051270624 1245462425 /nfs/dbraw/zinc/46/24/25/1245462425.db2.gz URFDSLPVNGSUEA-OAHLLOKOSA-N 1 2 344.455 2.363 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001101167727 1245475190 /nfs/dbraw/zinc/47/51/90/1245475190.db2.gz QXFPGWIFZLMDFR-IYOUNJFTSA-N 1 2 331.464 2.175 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001101167727 1245475194 /nfs/dbraw/zinc/47/51/94/1245475194.db2.gz QXFPGWIFZLMDFR-IYOUNJFTSA-N 1 2 331.464 2.175 20 30 EEEDLO CCCN(CCNC(=O)c1cccc2[nH+]ccn21)c1ncccc1C#N ZINC001101205011 1245519889 /nfs/dbraw/zinc/51/98/89/1245519889.db2.gz RZOLMMZPFXKKKX-UHFFFAOYSA-N 1 2 348.410 2.247 20 30 EEEDLO C=CCOCCCC(=O)NCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001101328524 1245668002 /nfs/dbraw/zinc/66/80/02/1245668002.db2.gz VFVHKBRTUPYZHS-UHFFFAOYSA-N 1 2 346.475 2.470 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001097880730 1245700262 /nfs/dbraw/zinc/70/02/62/1245700262.db2.gz OYBWTBCJATWGPO-WGMGUUHVSA-N 1 2 345.443 2.104 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001097880730 1245700268 /nfs/dbraw/zinc/70/02/68/1245700268.db2.gz OYBWTBCJATWGPO-WGMGUUHVSA-N 1 2 345.443 2.104 20 30 EEEDLO N#Cc1cccnc1N(CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001101466800 1245867776 /nfs/dbraw/zinc/86/77/76/1245867776.db2.gz RIWSBEIUIUHMNU-UHFFFAOYSA-N 1 2 346.394 2.228 20 30 EEEDLO Cc1ccc(C)c([C@@H](C)[NH+]2CC3(C2)CN(C(=O)[C@H](C)C#N)CCO3)c1 ZINC001053190889 1246029824 /nfs/dbraw/zinc/02/98/24/1246029824.db2.gz HNYANWGHLIANMN-IAGOWNOFSA-N 1 2 341.455 2.437 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC2(C[NH+](C[C@@H](F)CC)C2)n2ccnc21 ZINC001101640165 1246072067 /nfs/dbraw/zinc/07/20/67/1246072067.db2.gz YGNNSOBEVVGJPE-UONOGXRCSA-N 1 2 334.439 2.415 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccnc1C(F)F)CCO2 ZINC001053335646 1246201506 /nfs/dbraw/zinc/20/15/06/1246201506.db2.gz IVIBMQMDGVIFJY-UHFFFAOYSA-N 1 2 337.370 2.122 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1c(F)cc(C)cc1F)CCO2 ZINC001053335791 1246201722 /nfs/dbraw/zinc/20/17/22/1246201722.db2.gz LXFFICCIZXBDLO-UHFFFAOYSA-N 1 2 336.382 2.376 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc3ncccc3s1)CCO2 ZINC001053365150 1246238708 /nfs/dbraw/zinc/23/87/08/1246238708.db2.gz OEFSDWQFNJHJBY-UHFFFAOYSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnc3ccccc3c1)CCO2 ZINC001053449640 1246342831 /nfs/dbraw/zinc/34/28/31/1246342831.db2.gz YVQSSEBSKISVTP-UHFFFAOYSA-N 1 2 337.423 2.338 20 30 EEEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1c(C)[nH]nc1C(C)C)CCO2 ZINC001053502330 1246404446 /nfs/dbraw/zinc/40/44/46/1246404446.db2.gz QEAIQGBRMREBEJ-UHFFFAOYSA-N 1 2 346.475 2.335 20 30 EEEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1c(C)n[nH]c1C(C)C)CCO2 ZINC001053502330 1246404448 /nfs/dbraw/zinc/40/44/48/1246404448.db2.gz QEAIQGBRMREBEJ-UHFFFAOYSA-N 1 2 346.475 2.335 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(C)(C)C(C)(C)C)C2)CC1 ZINC001052060224 1246431209 /nfs/dbraw/zinc/43/12/09/1246431209.db2.gz ABVMTGQPSKMIKT-QGZVFWFLSA-N 1 2 333.520 2.301 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)C(C)(C)CC)C2)CC1 ZINC001052071161 1246444669 /nfs/dbraw/zinc/44/46/69/1246444669.db2.gz QFIBWYAIQXVILG-OAHLLOKOSA-N 1 2 327.900 2.394 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)C3(C(C)C)CC3)C2)CC1 ZINC001052078880 1246455021 /nfs/dbraw/zinc/45/50/21/1246455021.db2.gz CIPPMULHPNLQND-INIZCTEOSA-N 1 2 339.911 2.394 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[C@H](C)CC3)C2)CC1 ZINC001052109688 1246490362 /nfs/dbraw/zinc/49/03/62/1246490362.db2.gz GUNANPTUQRWJFK-GUDVDZBRSA-N 1 2 331.504 2.055 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc4ccccc43)C2)CC1 ZINC001052115456 1246498522 /nfs/dbraw/zinc/49/85/22/1246498522.db2.gz WKHGEHKITZHSIP-LJQANCHMSA-N 1 2 347.462 2.305 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC(F)(F)C1)O2 ZINC001053608724 1246527612 /nfs/dbraw/zinc/52/76/12/1246527612.db2.gz JDKDLIHHZLBAQR-ZIAGYGMSSA-N 1 2 328.403 2.348 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc3nc(C)oc3c1)O2 ZINC001053609803 1246529032 /nfs/dbraw/zinc/52/90/32/1246529032.db2.gz FFKIQXFPYDXYLH-OAHLLOKOSA-N 1 2 341.411 2.285 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc[nH]c1C1CC1)O2 ZINC001053652361 1246593621 /nfs/dbraw/zinc/59/36/21/1246593621.db2.gz UXRYUTGTXGWWED-OAHLLOKOSA-N 1 2 329.444 2.431 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc[nH]c1C1CCC1)O2 ZINC001053662838 1246608546 /nfs/dbraw/zinc/60/85/46/1246608546.db2.gz XHDBULNYFMBKGS-HNNXBMFYSA-N 1 2 329.444 2.431 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1coc(C3CCCC3)n1)O2 ZINC001053679920 1246634803 /nfs/dbraw/zinc/63/48/03/1246634803.db2.gz RYTIICFUESRELB-OAHLLOKOSA-N 1 2 345.443 2.481 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C(C)C)nn1C)O2 ZINC001053683536 1246641046 /nfs/dbraw/zinc/64/10/46/1246641046.db2.gz SLZWAVRYAKBSQU-HNNXBMFYSA-N 1 2 346.475 2.083 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn(C)nc1C(C)C)O2 ZINC001053695253 1246666996 /nfs/dbraw/zinc/66/69/96/1246666996.db2.gz AWLOECGPFISXIU-OAHLLOKOSA-N 1 2 346.475 2.083 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc3cnccc31)O2 ZINC001053695591 1246667447 /nfs/dbraw/zinc/66/74/47/1246667447.db2.gz NFHCYQMBUHSILA-MRXNPFEDSA-N 1 2 337.423 2.384 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(C(C)(C)C)nc1C)CO2 ZINC001053799519 1246805667 /nfs/dbraw/zinc/80/56/67/1246805667.db2.gz XGHUMHVHTPOMFD-HNNXBMFYSA-N 1 2 346.475 2.096 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C(F)F)nc1)CO2 ZINC001053823270 1246847633 /nfs/dbraw/zinc/84/76/33/1246847633.db2.gz IJIQCOXWWBXFQP-CYBMUJFWSA-N 1 2 337.370 2.168 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnn1C(CC)CC)CO2 ZINC001053829244 1246859638 /nfs/dbraw/zinc/85/96/38/1246859638.db2.gz CPQBKNBOIDVZOT-HNNXBMFYSA-N 1 2 346.475 2.393 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1(C)CCC(F)(F)CC1)CO2 ZINC001053847318 1246903230 /nfs/dbraw/zinc/90/32/30/1246903230.db2.gz DCIFJMYRJYVXQS-AWEZNQCLSA-N 1 2 340.414 2.185 20 30 EEEDLO C[C@H](c1csnn1)[N@@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052290328 1246904565 /nfs/dbraw/zinc/90/45/65/1246904565.db2.gz NUNBWYKQCRBNRA-YPMHNXCESA-N 1 2 344.444 2.083 20 30 EEEDLO C[C@H](c1csnn1)[N@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052290328 1246904573 /nfs/dbraw/zinc/90/45/73/1246904573.db2.gz NUNBWYKQCRBNRA-YPMHNXCESA-N 1 2 344.444 2.083 20 30 EEEDLO C[C@H](c1csnn1)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052320753 1247003882 /nfs/dbraw/zinc/00/38/82/1247003882.db2.gz VKZHJKAFEMANFA-VXGBXAGGSA-N 1 2 344.444 2.083 20 30 EEEDLO C[C@H](c1csnn1)[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052320753 1247003889 /nfs/dbraw/zinc/00/38/89/1247003889.db2.gz VKZHJKAFEMANFA-VXGBXAGGSA-N 1 2 344.444 2.083 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)c1cccc(F)c1)CO2 ZINC001054012338 1247145596 /nfs/dbraw/zinc/14/55/96/1247145596.db2.gz AYZQTOWLQSINAO-YOEHRIQHSA-N 1 2 332.419 2.465 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccn2nccc12 ZINC001054046224 1247222193 /nfs/dbraw/zinc/22/21/93/1247222193.db2.gz GTNFPUUINOJALL-GOSISDBHSA-N 1 2 344.418 2.124 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccn2nccc12 ZINC001054046224 1247222201 /nfs/dbraw/zinc/22/22/01/1247222201.db2.gz GTNFPUUINOJALL-GOSISDBHSA-N 1 2 344.418 2.124 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnc(C)nc1C ZINC001054056822 1247254852 /nfs/dbraw/zinc/25/48/52/1247254852.db2.gz SYZZFQYXVBCGPZ-LJQANCHMSA-N 1 2 348.450 2.273 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnc(C)nc1C ZINC001054056822 1247254857 /nfs/dbraw/zinc/25/48/57/1247254857.db2.gz SYZZFQYXVBCGPZ-LJQANCHMSA-N 1 2 348.450 2.273 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1c[nH]c2ncccc12 ZINC001054058934 1247265751 /nfs/dbraw/zinc/26/57/51/1247265751.db2.gz BEJBLQUGVROYFN-QGZVFWFLSA-N 1 2 344.418 2.353 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1c[nH]c2ncccc12 ZINC001054058934 1247265759 /nfs/dbraw/zinc/26/57/59/1247265759.db2.gz BEJBLQUGVROYFN-QGZVFWFLSA-N 1 2 344.418 2.353 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001052464342 1247346297 /nfs/dbraw/zinc/34/62/97/1247346297.db2.gz KFENWZIGIXOFBX-CABCVRRESA-N 1 2 346.475 2.155 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@@]2(CC[N@H+](Cc3ncc(Cl)n3C)C2)C1 ZINC001054101674 1247409014 /nfs/dbraw/zinc/40/90/14/1247409014.db2.gz CDXXHOBNGPNNBD-DYVFJYSZSA-N 1 2 349.866 2.048 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ncc(Cl)n3C)C2)C1 ZINC001054101674 1247409015 /nfs/dbraw/zinc/40/90/15/1247409015.db2.gz CDXXHOBNGPNNBD-DYVFJYSZSA-N 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336.810 2.381 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001073630698 1297329608 /nfs/dbraw/zinc/32/96/08/1297329608.db2.gz BQGPNVGARNUDOL-STQMWFEESA-N 1 2 336.810 2.381 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC001217840424 1297520209 /nfs/dbraw/zinc/52/02/09/1297520209.db2.gz YFJHEOSEPUFHRB-ZWKOTPCHSA-N 1 2 344.430 2.287 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC001217840424 1297520214 /nfs/dbraw/zinc/52/02/14/1297520214.db2.gz YFJHEOSEPUFHRB-ZWKOTPCHSA-N 1 2 344.430 2.287 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)c3cccnc3)C[C@H]21 ZINC001074282642 1297986533 /nfs/dbraw/zinc/98/65/33/1297986533.db2.gz QYWRMNCRCNGZRP-QZTJIDSGSA-N 1 2 343.471 2.237 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)c3cccnc3)C[C@H]21 ZINC001074282642 1297986537 /nfs/dbraw/zinc/98/65/37/1297986537.db2.gz QYWRMNCRCNGZRP-QZTJIDSGSA-N 1 2 343.471 2.237 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccnc4ccccc43)C[C@@H]21 ZINC001074288867 1297992660 /nfs/dbraw/zinc/99/26/60/1297992660.db2.gz KSJYJMBOEOMZAE-PMACEKPBSA-N 1 2 349.434 2.173 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccnc4ccccc43)C[C@@H]21 ZINC001074288867 1297992663 /nfs/dbraw/zinc/99/26/63/1297992663.db2.gz KSJYJMBOEOMZAE-PMACEKPBSA-N 1 2 349.434 2.173 20 30 EEEDLO CCCC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001219560705 1298060591 /nfs/dbraw/zinc/06/05/91/1298060591.db2.gz LMDRHXVIOQFYQD-IPELMVKDSA-N 1 2 346.446 2.165 20 30 EEEDLO CCCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001219560705 1298060603 /nfs/dbraw/zinc/06/06/03/1298060603.db2.gz LMDRHXVIOQFYQD-IPELMVKDSA-N 1 2 346.446 2.165 20 30 EEEDLO CC/C(C)=C\C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001219577032 1298068217 /nfs/dbraw/zinc/06/82/17/1298068217.db2.gz WEWLNYSROWQOFP-IOTGCTKJSA-N 1 2 346.858 2.209 20 30 EEEDLO CC/C(C)=C\C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001219577032 1298068229 /nfs/dbraw/zinc/06/82/29/1298068229.db2.gz WEWLNYSROWQOFP-IOTGCTKJSA-N 1 2 346.858 2.209 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccccc3C)C[C@@H]21 ZINC001074408093 1298100457 /nfs/dbraw/zinc/10/04/57/1298100457.db2.gz PVTZYMBZOXBSBE-OALUTQOASA-N 1 2 328.456 2.415 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccccc3C)C[C@@H]21 ZINC001074408093 1298100461 /nfs/dbraw/zinc/10/04/61/1298100461.db2.gz PVTZYMBZOXBSBE-OALUTQOASA-N 1 2 328.456 2.415 20 30 EEEDLO C[C@@H](CC(C)(C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001220493693 1298433456 /nfs/dbraw/zinc/43/34/56/1298433456.db2.gz YTZYHMLNPNNDAZ-MAZHCROVSA-N 1 2 349.500 2.353 20 30 EEEDLO C[C@@H](CC(C)(C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001220493693 1298433458 /nfs/dbraw/zinc/43/34/58/1298433458.db2.gz YTZYHMLNPNNDAZ-MAZHCROVSA-N 1 2 349.500 2.353 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001075089112 1298463760 /nfs/dbraw/zinc/46/37/60/1298463760.db2.gz RJOZEXUEBBEFJU-ZFWWWQNUSA-N 1 2 332.448 2.113 20 30 EEEDLO CC[C@@H](CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)C(C)C ZINC001220801458 1298542793 /nfs/dbraw/zinc/54/27/93/1298542793.db2.gz GGOISURYHNYUCI-ZCNNSNEGSA-N 1 2 342.483 2.272 20 30 EEEDLO CC[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)C(C)C ZINC001220801458 1298542801 /nfs/dbraw/zinc/54/28/01/1298542801.db2.gz GGOISURYHNYUCI-ZCNNSNEGSA-N 1 2 342.483 2.272 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@H](CC)C(C)C)C2)nn1 ZINC001098773602 1298692486 /nfs/dbraw/zinc/69/24/86/1298692486.db2.gz GMWPVKTXWUEGPR-WMZOPIPTSA-N 1 2 345.491 2.237 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]21 ZINC001221730481 1299021485 /nfs/dbraw/zinc/02/14/85/1299021485.db2.gz JOAMVODTBLKSFH-BRWVUGGUSA-N 1 2 349.519 2.282 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]21 ZINC001221730481 1299021501 /nfs/dbraw/zinc/02/15/01/1299021501.db2.gz JOAMVODTBLKSFH-BRWVUGGUSA-N 1 2 349.519 2.282 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001099541076 1299200790 /nfs/dbraw/zinc/20/07/90/1299200790.db2.gz CWRPSANLBYQXOQ-GFCCVEGCSA-N 1 2 330.436 2.272 20 30 EEEDLO CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001099680671 1299346172 /nfs/dbraw/zinc/34/61/72/1299346172.db2.gz FMQATMFJMLZZDD-IAGOWNOFSA-N 1 2 329.444 2.046 20 30 EEEDLO CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001099680671 1299346183 /nfs/dbraw/zinc/34/61/83/1299346183.db2.gz FMQATMFJMLZZDD-IAGOWNOFSA-N 1 2 329.444 2.046 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)c(C)o3)C[C@H]2O)CC1 ZINC001099986926 1299570068 /nfs/dbraw/zinc/57/00/68/1299570068.db2.gz RHXRQRFXLBNXJE-HZPDHXFCSA-N 1 2 347.459 2.089 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C)c(C)o3)C[C@H]2O)CC1 ZINC001099986926 1299570076 /nfs/dbraw/zinc/57/00/76/1299570076.db2.gz RHXRQRFXLBNXJE-HZPDHXFCSA-N 1 2 347.459 2.089 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C)cn3)[C@H]2C1 ZINC001222547384 1299673265 /nfs/dbraw/zinc/67/32/65/1299673265.db2.gz OIVCRHOUCNAGOJ-MSOLQXFVSA-N 1 2 340.471 2.401 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C)cn3)[C@H]2C1 ZINC001222547384 1299673267 /nfs/dbraw/zinc/67/32/67/1299673267.db2.gz OIVCRHOUCNAGOJ-MSOLQXFVSA-N 1 2 340.471 2.401 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CC2(C[NH+](CC#CC)C2)n2ccnc21 ZINC001101630636 1299704055 /nfs/dbraw/zinc/70/40/55/1299704055.db2.gz KRTDSSQRVZAUTK-HNNXBMFYSA-N 1 2 326.444 2.081 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C)cn3)[C@H]2C1 ZINC001222617351 1299732646 /nfs/dbraw/zinc/73/26/46/1299732646.db2.gz AQAWTHLGBWMWTG-SJORKVTESA-N 1 2 326.444 2.011 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C)cn3)[C@H]2C1 ZINC001222617351 1299732659 /nfs/dbraw/zinc/73/26/59/1299732659.db2.gz AQAWTHLGBWMWTG-SJORKVTESA-N 1 2 326.444 2.011 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cnn(CC)n3)[C@H]2C1 ZINC001222781297 1299854387 /nfs/dbraw/zinc/85/43/87/1299854387.db2.gz MTRVEKFEVVOASM-WBVHZDCISA-N 1 2 331.464 2.077 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]2CC[N@H+](Cc3cnn(CC)n3)[C@H]2C1 ZINC001222781297 1299854400 /nfs/dbraw/zinc/85/44/00/1299854400.db2.gz MTRVEKFEVVOASM-WBVHZDCISA-N 1 2 331.464 2.077 20 30 EEEDLO C#CCCCC(=O)NCC1CC[NH+](Cc2nnc(C(C)C)n2C)CC1 ZINC001222987029 1299945315 /nfs/dbraw/zinc/94/53/15/1299945315.db2.gz GWRMRWFUHDHQAU-UHFFFAOYSA-N 1 2 345.491 2.070 20 30 EEEDLO Cc1ccc(C[NH+]2CC3(CCN3Cc3cc(C#N)n(C)c3)C2)cc1O ZINC001276876589 1300045350 /nfs/dbraw/zinc/04/53/50/1300045350.db2.gz BAQXZKWWNIZREU-UHFFFAOYSA-N 1 2 336.439 2.371 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3cnn(CC)n3)[C@H]2C1 ZINC001223338692 1300092264 /nfs/dbraw/zinc/09/22/64/1300092264.db2.gz WKOMTFOMNLPIMK-NUJGCVRESA-N 1 2 345.491 2.323 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3cnn(CC)n3)[C@H]2C1 ZINC001223338692 1300092272 /nfs/dbraw/zinc/09/22/72/1300092272.db2.gz WKOMTFOMNLPIMK-NUJGCVRESA-N 1 2 345.491 2.323 20 30 EEEDLO N#Cc1ccccc1N1CCC[C@@]2(C1)C[N@H+](Cc1cn[nH]c1)CCO2 ZINC001276953096 1300469317 /nfs/dbraw/zinc/46/93/17/1300469317.db2.gz HPCYUVCZQPGBKE-IBGZPJMESA-N 1 2 337.427 2.153 20 30 EEEDLO N#Cc1ccccc1N1CCC[C@@]2(C1)C[N@@H+](Cc1cn[nH]c1)CCO2 ZINC001276953096 1300469328 /nfs/dbraw/zinc/46/93/28/1300469328.db2.gz HPCYUVCZQPGBKE-IBGZPJMESA-N 1 2 337.427 2.153 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC[C@H](Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001102170794 1300488102 /nfs/dbraw/zinc/48/81/02/1300488102.db2.gz UVJSDTBGKAURFS-LPHOPBHVSA-N 1 2 340.427 2.382 20 30 EEEDLO C=CCCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3cnsn3)C[C@H]2C)CC1 ZINC001102326101 1300838950 /nfs/dbraw/zinc/83/89/50/1300838950.db2.gz ILQKEXCLYUDCCK-ZIAGYGMSSA-N 1 2 334.489 2.469 20 30 EEEDLO C=CCCC1(C(=O)NC[C@@H]2C[N@H+](Cc3cnsn3)C[C@H]2C)CC1 ZINC001102326101 1300838970 /nfs/dbraw/zinc/83/89/70/1300838970.db2.gz ILQKEXCLYUDCCK-ZIAGYGMSSA-N 1 2 334.489 2.469 20 30 EEEDLO N#Cc1c(O)ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1C#N ZINC001227617454 1301911165 /nfs/dbraw/zinc/91/11/65/1301911165.db2.gz DWOJBIGSWXJNMO-MRXNPFEDSA-N 1 2 349.390 2.415 20 30 EEEDLO N#Cc1c(O)ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1C#N ZINC001227617454 1301911168 /nfs/dbraw/zinc/91/11/68/1301911168.db2.gz DWOJBIGSWXJNMO-MRXNPFEDSA-N 1 2 349.390 2.415 20 30 EEEDLO C#CCC1(C(=O)NC2CC[NH+](Cc3ncc(C)cn3)CC2)CCC1 ZINC001227754142 1301954124 /nfs/dbraw/zinc/95/41/24/1301954124.db2.gz IRLCBJDNPYGWRJ-UHFFFAOYSA-N 1 2 326.444 2.059 20 30 EEEDLO C#CCC1(C(=O)NC2CC[NH+]([C@@H](C)c3nc(CC)no3)CC2)CCC1 ZINC001227763103 1301957009 /nfs/dbraw/zinc/95/70/09/1301957009.db2.gz UFXOBKGEEBXANM-AWEZNQCLSA-N 1 2 344.459 2.467 20 30 EEEDLO C=CCCCC(=O)NC1CC[NH+](CC(=O)N[C@H](C)c2ccco2)CC1 ZINC001228927997 1302529120 /nfs/dbraw/zinc/52/91/20/1302529120.db2.gz RFHXOVZOCKGSIZ-OAHLLOKOSA-N 1 2 347.459 2.394 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H](CC)Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001103296527 1302674326 /nfs/dbraw/zinc/67/43/26/1302674326.db2.gz VWHOTAKXUZMAQF-CQSZACIVSA-N 1 2 342.447 2.416 20 30 EEEDLO Cc1cc(C[N@@H+](CCCNC(=O)[C@H](C)C#N)Cc2cccnc2)on1 ZINC001230713548 1303408457 /nfs/dbraw/zinc/40/84/57/1303408457.db2.gz FQHAMHOPWVKILP-CQSZACIVSA-N 1 2 341.415 2.046 20 30 EEEDLO Cc1cc(C[N@H+](CCCNC(=O)[C@H](C)C#N)Cc2cccnc2)on1 ZINC001230713548 1303408459 /nfs/dbraw/zinc/40/84/59/1303408459.db2.gz FQHAMHOPWVKILP-CQSZACIVSA-N 1 2 341.415 2.046 20 30 EEEDLO CO[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001230938895 1303554166 /nfs/dbraw/zinc/55/41/66/1303554166.db2.gz QSMVCQWUGHCLTK-YOEHRIQHSA-N 1 2 334.847 2.259 20 30 EEEDLO CO[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001230938895 1303554171 /nfs/dbraw/zinc/55/41/71/1303554171.db2.gz QSMVCQWUGHCLTK-YOEHRIQHSA-N 1 2 334.847 2.259 20 30 EEEDLO CC(C)OCC(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001231053834 1303601695 /nfs/dbraw/zinc/60/16/95/1303601695.db2.gz AGSXUICUHMXMJC-GOSISDBHSA-N 1 2 332.419 2.135 20 30 EEEDLO CC(C)OCC(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001231053834 1303601702 /nfs/dbraw/zinc/60/17/02/1303601702.db2.gz AGSXUICUHMXMJC-GOSISDBHSA-N 1 2 332.419 2.135 20 30 EEEDLO CO[C@H](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001231151831 1303654029 /nfs/dbraw/zinc/65/40/29/1303654029.db2.gz ZMXQMOIWBAEQMF-CJNGLKHVSA-N 1 2 333.407 2.155 20 30 EEEDLO CO[C@H](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001231151831 1303654047 /nfs/dbraw/zinc/65/40/47/1303654047.db2.gz ZMXQMOIWBAEQMF-CJNGLKHVSA-N 1 2 333.407 2.155 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)Cc1ccccc1 ZINC001231171217 1303664120 /nfs/dbraw/zinc/66/41/20/1303664120.db2.gz ZIFXYINAEUEIAP-GOSISDBHSA-N 1 2 343.471 2.144 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)Cc1ccccc1 ZINC001231171217 1303664125 /nfs/dbraw/zinc/66/41/25/1303664125.db2.gz ZIFXYINAEUEIAP-GOSISDBHSA-N 1 2 343.471 2.144 20 30 EEEDLO Cc1nc(N)ccc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC001232342981 1304085755 /nfs/dbraw/zinc/08/57/55/1304085755.db2.gz SZBYMDRTVQGBND-UHFFFAOYSA-N 1 2 325.391 2.305 20 30 EEEDLO N#Cc1ccc(O)c(CN2CCn3cc(C[NH+]4CCCC4)nc3C2)c1 ZINC001232677970 1304213526 /nfs/dbraw/zinc/21/35/26/1304213526.db2.gz SUHZGGUQFPVWTB-UHFFFAOYSA-N 1 2 337.427 2.072 20 30 EEEDLO N#Cc1ccc(F)cc1CN1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001232889028 1304283737 /nfs/dbraw/zinc/28/37/37/1304283737.db2.gz ABDHXJRIYAAILI-UHFFFAOYSA-N 1 2 337.358 2.488 20 30 EEEDLO C=CCCC1(C(=O)N2CCC[C@](CO)(Nc3cc[nH+]c(C)n3)C2)CC1 ZINC001112233186 1304356702 /nfs/dbraw/zinc/35/67/02/1304356702.db2.gz SNEPOEXKMZVYKE-IBGZPJMESA-N 1 2 344.459 2.297 20 30 EEEDLO C=CCOCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccnc(OC)c1 ZINC001233491345 1304482373 /nfs/dbraw/zinc/48/23/73/1304482373.db2.gz WSXADVPKIHHBPA-KRWDZBQOSA-N 1 2 347.459 2.106 20 30 EEEDLO C=CCOCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccnc(OC)c1 ZINC001233491345 1304482377 /nfs/dbraw/zinc/48/23/77/1304482377.db2.gz WSXADVPKIHHBPA-KRWDZBQOSA-N 1 2 347.459 2.106 20 30 EEEDLO CCCN(CCC)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234194191 1304791376 /nfs/dbraw/zinc/79/13/76/1304791376.db2.gz BMPOWBZNTQHSHP-KRWDZBQOSA-N 1 2 349.519 2.217 20 30 EEEDLO CCCN(CCC)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234194191 1304791385 /nfs/dbraw/zinc/79/13/85/1304791385.db2.gz BMPOWBZNTQHSHP-KRWDZBQOSA-N 1 2 349.519 2.217 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C)CC1 ZINC001234479868 1304939081 /nfs/dbraw/zinc/93/90/81/1304939081.db2.gz ZIMYHRHHYFKVRH-HOTGVXAUSA-N 1 2 335.492 2.132 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1(C)CC1 ZINC001234479868 1304939084 /nfs/dbraw/zinc/93/90/84/1304939084.db2.gz ZIMYHRHHYFKVRH-HOTGVXAUSA-N 1 2 335.492 2.132 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N1CCCCC1 ZINC001234510142 1304946853 /nfs/dbraw/zinc/94/68/53/1304946853.db2.gz VALXUIDCMJVZQA-GOSISDBHSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N1CCCCC1 ZINC001234510142 1304946854 /nfs/dbraw/zinc/94/68/54/1304946854.db2.gz VALXUIDCMJVZQA-GOSISDBHSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCCC[C@@H](C)CC ZINC001234546399 1304961584 /nfs/dbraw/zinc/96/15/84/1304961584.db2.gz KXIYRVACNSIMPF-IRXDYDNUSA-N 1 2 337.508 2.428 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC[C@@H](C)CC ZINC001234546399 1304961586 /nfs/dbraw/zinc/96/15/86/1304961586.db2.gz KXIYRVACNSIMPF-IRXDYDNUSA-N 1 2 337.508 2.428 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2CC(=O)NC(C)(C)CC)CCC1 ZINC001235211092 1305151146 /nfs/dbraw/zinc/15/11/46/1305151146.db2.gz ZTLDHYMTPNPAET-MRXNPFEDSA-N 1 2 347.503 2.018 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2CC(=O)NC(C)(C)CC)CCC1 ZINC001235211092 1305151148 /nfs/dbraw/zinc/15/11/48/1305151148.db2.gz ZTLDHYMTPNPAET-MRXNPFEDSA-N 1 2 347.503 2.018 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CCN(C(=O)OC(C)(C)C)CC2(C)C)C1=O ZINC000799126024 1305162105 /nfs/dbraw/zinc/16/21/05/1305162105.db2.gz XXQNRLPHYTXAEU-CQSZACIVSA-N 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1309732065 /nfs/dbraw/zinc/73/20/65/1309732065.db2.gz KKDFGXZKOARXIN-VXGBXAGGSA-N 1 2 346.460 2.430 20 30 EEEDLO C=C1CCN(c2nnc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)n2CC)CC1 ZINC001121804973 1310138056 /nfs/dbraw/zinc/13/80/56/1310138056.db2.gz YRKMCNSTSCIWKI-CVEARBPZSA-N 1 2 331.464 2.380 20 30 EEEDLO C=C1CCN(c2nnc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)n2CC)CC1 ZINC001121804973 1310138058 /nfs/dbraw/zinc/13/80/58/1310138058.db2.gz YRKMCNSTSCIWKI-CVEARBPZSA-N 1 2 331.464 2.380 20 30 EEEDLO C[C@@H]1[C@H](Nc2ccc(C#N)nc2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001123029385 1310450927 /nfs/dbraw/zinc/45/09/27/1310450927.db2.gz ZGFPOWSEWQCPJY-RHSMWYFYSA-N 1 2 338.415 2.031 20 30 EEEDLO Cc1cc(N[C@@H]2C[C@H](C)N(C(=O)CSCC#N)C2)nc(C2CC2)[nH+]1 ZINC001123155848 1310475026 /nfs/dbraw/zinc/47/50/26/1310475026.db2.gz BRZIOHVSBQKPTD-GXTWGEPZSA-N 1 2 345.472 2.321 20 30 EEEDLO C#CC1CC[NH+](Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC1 ZINC000830334057 1314533110 /nfs/dbraw/zinc/53/31/10/1314533110.db2.gz VTZRGYARAJYFQB-UHFFFAOYSA-N 1 2 326.379 2.182 20 30 EEEDLO Cc1noc([C@]23COC[C@H]2C[N@H+](Cc2cccc(Cl)c2C#N)C3)n1 ZINC001139689118 1314759557 /nfs/dbraw/zinc/75/95/57/1314759557.db2.gz IPBZAQIPUCZDLV-CXAGYDPISA-N 1 2 344.802 2.303 20 30 EEEDLO Cc1noc([C@]23COC[C@H]2C[N@@H+](Cc2cccc(Cl)c2C#N)C3)n1 ZINC001139689118 1314759561 /nfs/dbraw/zinc/75/95/61/1314759561.db2.gz IPBZAQIPUCZDLV-CXAGYDPISA-N 1 2 344.802 2.303 20 30 EEEDLO CSc1nc(CN2CC[NH+](Cc3ccncc3)CC2)ccc1C#N ZINC001141938454 1315393615 /nfs/dbraw/zinc/39/36/15/1315393615.db2.gz CUEOCWARZRCRPP-UHFFFAOYSA-N 1 2 339.468 2.388 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](CCC)OCC)C1 ZINC001150125587 1316169399 /nfs/dbraw/zinc/16/93/99/1316169399.db2.gz YXEFUVSGGNGHMP-CABCVRRESA-N 1 2 332.872 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](CCC)OCC)C1 ZINC001150125587 1316169400 /nfs/dbraw/zinc/16/94/00/1316169400.db2.gz YXEFUVSGGNGHMP-CABCVRRESA-N 1 2 332.872 2.151 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NC[C@@H](C)[N@H+](CC)Cc1nccn1C)OCC ZINC001153660451 1316860970 /nfs/dbraw/zinc/86/09/70/1316860970.db2.gz VZLRPZNZFVVWFD-HZPDHXFCSA-N 1 2 336.480 2.118 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccn1C)OCC ZINC001153660451 1316860972 /nfs/dbraw/zinc/86/09/72/1316860972.db2.gz VZLRPZNZFVVWFD-HZPDHXFCSA-N 1 2 336.480 2.118 20 30 EEEDLO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2cc(C)on2)CCOCC1 ZINC001153779622 1316880827 /nfs/dbraw/zinc/88/08/27/1316880827.db2.gz CHUHBZKZUHSBQL-OAHLLOKOSA-N 1 2 347.459 2.130 20 30 EEEDLO C#CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2cc(C)on2)CCOCC1 ZINC001153779622 1316880830 /nfs/dbraw/zinc/88/08/30/1316880830.db2.gz CHUHBZKZUHSBQL-OAHLLOKOSA-N 1 2 347.459 2.130 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1coc(C)n1 ZINC001155757389 1317725238 /nfs/dbraw/zinc/72/52/38/1317725238.db2.gz MAYVPMXYXZHFDP-COXVUDFISA-N 1 2 335.448 2.291 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1coc(C)n1 ZINC001155757389 1317725243 /nfs/dbraw/zinc/72/52/43/1317725243.db2.gz MAYVPMXYXZHFDP-COXVUDFISA-N 1 2 335.448 2.291 20 30 EEEDLO C=CCCOCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nccn1C(F)F ZINC001157213411 1318491199 /nfs/dbraw/zinc/49/11/99/1318491199.db2.gz JSDLRGBBYJEFRB-CYBMUJFWSA-N 1 2 344.406 2.198 20 30 EEEDLO C=CCCOCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccn1C(F)F ZINC001157213411 1318491211 /nfs/dbraw/zinc/49/12/11/1318491211.db2.gz JSDLRGBBYJEFRB-CYBMUJFWSA-N 1 2 344.406 2.198 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@H](C)Cc1ccccn1 ZINC001256413043 1318731063 /nfs/dbraw/zinc/73/10/63/1318731063.db2.gz BNVKZNFJPQNDQS-CRAIPNDOSA-N 1 2 341.459 2.426 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@H](C)Cc1ccccn1 ZINC001256413043 1318731070 /nfs/dbraw/zinc/73/10/70/1318731070.db2.gz BNVKZNFJPQNDQS-CRAIPNDOSA-N 1 2 341.459 2.426 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncccn1 ZINC001157648769 1318769380 /nfs/dbraw/zinc/76/93/80/1318769380.db2.gz QBYKJYVZAMHPEE-IAGOWNOFSA-N 1 2 346.475 2.271 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncccn1 ZINC001157648769 1318769388 /nfs/dbraw/zinc/76/93/88/1318769388.db2.gz QBYKJYVZAMHPEE-IAGOWNOFSA-N 1 2 346.475 2.271 20 30 EEEDLO C=CCCOCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc(C)n(C)n1 ZINC001158942124 1319521308 /nfs/dbraw/zinc/52/13/08/1319521308.db2.gz BJQPAKGOEKSMLU-GOSISDBHSA-N 1 2 348.491 2.134 20 30 EEEDLO C=CCCOCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc(C)n(C)n1 ZINC001158942124 1319521316 /nfs/dbraw/zinc/52/13/16/1319521316.db2.gz BJQPAKGOEKSMLU-GOSISDBHSA-N 1 2 348.491 2.134 20 30 EEEDLO Cc1nc(C[N@H+]2CC=C(CCNC(=O)CSCC#N)CC2)oc1C ZINC001159332836 1319743828 /nfs/dbraw/zinc/74/38/28/1319743828.db2.gz QMCOQGGRTLGKDX-UHFFFAOYSA-N 1 2 348.472 2.187 20 30 EEEDLO Cc1nc(C[N@@H+]2CC=C(CCNC(=O)CSCC#N)CC2)oc1C ZINC001159332836 1319743835 /nfs/dbraw/zinc/74/38/35/1319743835.db2.gz QMCOQGGRTLGKDX-UHFFFAOYSA-N 1 2 348.472 2.187 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)C[C@@H](C)OC)CC1 ZINC001159524810 1319859531 /nfs/dbraw/zinc/85/95/31/1319859531.db2.gz OGGZJPYMPQOALD-CYBMUJFWSA-N 1 2 345.281 2.458 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)OC)CC1 ZINC001159524810 1319859538 /nfs/dbraw/zinc/85/95/38/1319859538.db2.gz OGGZJPYMPQOALD-CYBMUJFWSA-N 1 2 345.281 2.458 20 30 EEEDLO CC(C)C[C@H](C(=O)NCCC1=CCN(CC#N)CC1)n1cc[nH+]c1 ZINC001160422699 1320159692 /nfs/dbraw/zinc/15/96/92/1320159692.db2.gz CBRYAVIRFXMAGK-QGZVFWFLSA-N 1 2 329.448 2.132 20 30 EEEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2nn(CC)nc2C)CC1 ZINC001160888292 1320305076 /nfs/dbraw/zinc/30/50/76/1320305076.db2.gz ILVYLVGEHBNTCW-UHFFFAOYSA-N 1 2 345.491 2.457 20 30 EEEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2nn(CC)nc2C)CC1 ZINC001160888292 1320305077 /nfs/dbraw/zinc/30/50/77/1320305077.db2.gz ILVYLVGEHBNTCW-UHFFFAOYSA-N 1 2 345.491 2.457 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2nnnn2C)CC1 ZINC001160967492 1320336356 /nfs/dbraw/zinc/33/63/56/1320336356.db2.gz JDEWHIUXLGSMLL-HUUCEWRRSA-N 1 2 346.479 2.012 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@H+]([C@H](C)c2nnnn2C)CC1 ZINC001160967492 1320336361 /nfs/dbraw/zinc/33/63/61/1320336361.db2.gz JDEWHIUXLGSMLL-HUUCEWRRSA-N 1 2 346.479 2.012 20 30 EEEDLO C[N@@H+]1CCN(c2nc(C#N)c(C#N)nc2Cl)[C@H](c2ccccc2)C1 ZINC001163673202 1321189162 /nfs/dbraw/zinc/18/91/62/1321189162.db2.gz UOOHPWQPSPXPEF-HNNXBMFYSA-N 1 2 338.802 2.366 20 30 EEEDLO C[N@H+]1CCN(c2nc(C#N)c(C#N)nc2Cl)[C@H](c2ccccc2)C1 ZINC001163673202 1321189165 /nfs/dbraw/zinc/18/91/65/1321189165.db2.gz UOOHPWQPSPXPEF-HNNXBMFYSA-N 1 2 338.802 2.366 20 30 EEEDLO C=CCN1C(=O)CC[C@]12CCCN(c1cc(N(C)C)[nH+]cn1)[C@H]2CC ZINC001165595626 1321551056 /nfs/dbraw/zinc/55/10/56/1321551056.db2.gz ZQYTVZIQVZBSMM-KXBFYZLASA-N 1 2 343.475 2.469 20 30 EEEDLO C=CCN1C(=O)CC[C@]12CCCN(c1cc(N(C)C)nc[nH+]1)[C@H]2CC ZINC001165595626 1321551059 /nfs/dbraw/zinc/55/10/59/1321551059.db2.gz ZQYTVZIQVZBSMM-KXBFYZLASA-N 1 2 343.475 2.469 20 30 EEEDLO C=CCCCC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001205175175 1322304787 /nfs/dbraw/zinc/30/47/87/1322304787.db2.gz NSHXAXDMALUKLJ-QZTJIDSGSA-N 1 2 334.435 2.386 20 30 EEEDLO C=CCCCC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001205175175 1322304789 /nfs/dbraw/zinc/30/47/89/1322304789.db2.gz NSHXAXDMALUKLJ-QZTJIDSGSA-N 1 2 334.435 2.386 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001263301269 1322455281 /nfs/dbraw/zinc/45/52/81/1322455281.db2.gz MBRVSRUPGPJUCC-ZACQAIPSSA-N 1 2 345.491 2.484 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001263301269 1322455284 /nfs/dbraw/zinc/45/52/84/1322455284.db2.gz MBRVSRUPGPJUCC-ZACQAIPSSA-N 1 2 345.491 2.484 20 30 EEEDLO C=C(C)CN(C)c1nnc(Cc2[nH+]ccn2C)n1C[C@H]1CCCCO1 ZINC001263585145 1322492971 /nfs/dbraw/zinc/49/29/71/1322492971.db2.gz MMMGDJVUXMKXBF-OAHLLOKOSA-N 1 2 344.463 2.184 20 30 EEEDLO CON=Cc1ccc(C(=O)N2CCC(c3c[nH+]cn3C)CC2)cc1 ZINC001264011108 1322583756 /nfs/dbraw/zinc/58/37/56/1322583756.db2.gz WDAJTDHGEXJHRI-UHFFFAOYSA-N 1 2 326.400 2.420 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCc2cccs2)C1 ZINC001265285921 1323036823 /nfs/dbraw/zinc/03/68/23/1323036823.db2.gz KFCBSBLOAPUTBP-GJZGRUSLSA-N 1 2 349.500 2.300 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NCc2cccs2)C1 ZINC001265285921 1323036829 /nfs/dbraw/zinc/03/68/29/1323036829.db2.gz KFCBSBLOAPUTBP-GJZGRUSLSA-N 1 2 349.500 2.300 20 30 EEEDLO COc1cnc(-c2cc(C[NH+]3CCOCC3)ccc2OC)c(C#N)c1 ZINC001206482361 1323508240 /nfs/dbraw/zinc/50/82/40/1323508240.db2.gz IQMUFZDNTSLCQJ-UHFFFAOYSA-N 1 2 339.395 2.470 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC001206537192 1323526410 /nfs/dbraw/zinc/52/64/10/1323526410.db2.gz LEXYDILTEIDFBQ-CHWSQXEVSA-N 1 2 330.388 2.232 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC001206537192 1323526415 /nfs/dbraw/zinc/52/64/15/1323526415.db2.gz LEXYDILTEIDFBQ-CHWSQXEVSA-N 1 2 330.388 2.232 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc(C(C)C)no2)C[C@H]1C ZINC001206912337 1323694105 /nfs/dbraw/zinc/69/41/05/1323694105.db2.gz GKGPFMHZXXNABF-QLFBSQMISA-N 1 2 332.448 2.494 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc(C(C)C)no2)C[C@H]1C ZINC001206912337 1323694112 /nfs/dbraw/zinc/69/41/12/1323694112.db2.gz GKGPFMHZXXNABF-QLFBSQMISA-N 1 2 332.448 2.494 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3nnc(CC)o3)C[C@H]2C)CCC1 ZINC001207521815 1324004496 /nfs/dbraw/zinc/00/44/96/1324004496.db2.gz IZEIAFZQJUKYTJ-QLFBSQMISA-N 1 2 344.459 2.323 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3nnc(CC)o3)C[C@H]2C)CCC1 ZINC001207521815 1324004504 /nfs/dbraw/zinc/00/45/04/1324004504.db2.gz IZEIAFZQJUKYTJ-QLFBSQMISA-N 1 2 344.459 2.323 20 30 EEEDLO C=CCCC[C@H](NS(=O)(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC001309810190 1331642599 /nfs/dbraw/zinc/64/25/99/1331642599.db2.gz KEHUXWQXBGLDPW-KRWDZBQOSA-N 1 2 337.489 2.166 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@]2(CCOC2)C1 ZINC001339529861 1337022438 /nfs/dbraw/zinc/02/24/38/1337022438.db2.gz VBJNKTXCANWLBW-YJBOKZPZSA-N 1 2 331.464 2.238 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@]2(CCOC2)C1 ZINC001339529861 1337022443 /nfs/dbraw/zinc/02/24/43/1337022443.db2.gz VBJNKTXCANWLBW-YJBOKZPZSA-N 1 2 331.464 2.238 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)CCCF ZINC001340195504 1337135711 /nfs/dbraw/zinc/13/57/11/1337135711.db2.gz LWQOQLLSHYJNEB-LSDHHAIUSA-N 1 2 337.443 2.186 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)CCCF ZINC001340195504 1337135712 /nfs/dbraw/zinc/13/57/12/1337135712.db2.gz LWQOQLLSHYJNEB-LSDHHAIUSA-N 1 2 337.443 2.186 20 30 EEEDLO C#CCN(CC1CC1)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001345038940 1337420636 /nfs/dbraw/zinc/42/06/36/1337420636.db2.gz XZYPLIDIRMXBIB-MRXNPFEDSA-N 1 2 343.446 2.208 20 30 EEEDLO COc1cc[nH+]cc1Cn1c(C(C)C)nnc1N(C)C[C@H](C)C#N ZINC001434700092 1341920439 /nfs/dbraw/zinc/92/04/39/1341920439.db2.gz LJERZIDRMJPWIW-CYBMUJFWSA-N 1 2 328.420 2.449 20 30 EEEDLO N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CSC[NH2+]3)cn2)c1 ZINC001580078449 1344467253 /nfs/dbraw/zinc/46/72/53/1344467253.db2.gz YOALSVSONYLCPX-AWEZNQCLSA-N 1 2 326.381 2.347 20 30 EEEDLO C[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC001589965633 1349085201 /nfs/dbraw/zinc/08/52/01/1349085201.db2.gz NRVPOUMDHRCDNP-LLVKDONJSA-N 1 2 349.354 2.497 20 30 EEEDLO C[N@H+](CCNC(=O)c1cc2cccn2cn1)Cc1ccccc1C#N ZINC001663209568 1354935729 /nfs/dbraw/zinc/93/57/29/1354935729.db2.gz MSRSUZJQTLBPDV-UHFFFAOYSA-N 1 2 333.395 2.068 20 30 EEEDLO C[N@@H+](CCNC(=O)c1cc2cccn2cn1)Cc1ccccc1C#N ZINC001663209568 1354935733 /nfs/dbraw/zinc/93/57/33/1354935733.db2.gz MSRSUZJQTLBPDV-UHFFFAOYSA-N 1 2 333.395 2.068 20 30 EEEDLO Cc1cccn2c(CN3CCN(c4nccnc4C#N)C[C@H]3C)c[nH+]c12 ZINC000246804521 1367657620 /nfs/dbraw/zinc/65/76/20/1367657620.db2.gz QVWRKERCCRWISB-OAHLLOKOSA-N 1 2 347.426 2.015 20 30 EEEDLO CCCOCC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195159423 1368504969 /nfs/dbraw/zinc/50/49/69/1368504969.db2.gz KYKAJDWUKCBDII-UHFFFAOYSA-N 1 2 333.407 2.158 20 30 EEEDLO CCCOCC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001195159423 1368504972 /nfs/dbraw/zinc/50/49/72/1368504972.db2.gz KYKAJDWUKCBDII-UHFFFAOYSA-N 1 2 333.407 2.158 20 30 EEEDLO CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)CCC1 ZINC001195500872 1368546075 /nfs/dbraw/zinc/54/60/75/1368546075.db2.gz CAVYXPXICXHHHG-HZPDHXFCSA-N 1 2 347.484 2.251 20 30 EEEDLO CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)CCC1 ZINC001195500872 1368546080 /nfs/dbraw/zinc/54/60/80/1368546080.db2.gz CAVYXPXICXHHHG-HZPDHXFCSA-N 1 2 347.484 2.251 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)C(C)C)CC1 ZINC001197308501 1368613449 /nfs/dbraw/zinc/61/34/49/1368613449.db2.gz NXPWUGBNJNNCLE-QGZVFWFLSA-N 1 2 337.508 2.237 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H](C)C(C)C)CC1 ZINC001197308501 1368613453 /nfs/dbraw/zinc/61/34/53/1368613453.db2.gz NXPWUGBNJNNCLE-QGZVFWFLSA-N 1 2 337.508 2.237 20 30 EEEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)Cc1cc[nH]n1)c1ccccc1OC ZINC001198626621 1368634086 /nfs/dbraw/zinc/63/40/86/1368634086.db2.gz GRLKBIUWPBDHKF-OAHLLOKOSA-N 1 2 348.834 2.160 20 30 EEEDLO COc1ccccc1[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)NCC#N ZINC001198775446 1368644673 /nfs/dbraw/zinc/64/46/73/1368644673.db2.gz HFKZXIMWDBLHBN-QGZVFWFLSA-N 1 2 349.394 2.156 20 30 EEEDLO C=CCOc1cccc(C[NH+]2CC3(C2)COCC(=O)N3CCCC)c1 ZINC001273780082 1368663714 /nfs/dbraw/zinc/66/37/14/1368663714.db2.gz SAQCPRZVDKZENU-UHFFFAOYSA-N 1 2 344.455 2.465 20 30 EEEDLO C=CCCCC(=O)N1CCCO[C@@H](C[NH2+][C@H](C)c2nc(C)no2)C1 ZINC001201284232 1368797211 /nfs/dbraw/zinc/79/72/11/1368797211.db2.gz QXNUMGAPOWFKCI-HIFRSBDPSA-N 1 2 336.436 2.002 20 30 EEEDLO C=C[C@H](CO)[NH2+]Cc1nnc(-c2ccc(Br)s2)o1 ZINC000852714011 1369296124 /nfs/dbraw/zinc/29/61/24/1369296124.db2.gz UQEGSSAEEJKCQJ-SSDOTTSWSA-N 1 2 330.207 2.197 20 30 EEEDLO C=CC[N@H+](CN1C(=O)C[C@](C)(c2ccc(C)cc2)C1=O)[C@H](C)COC ZINC000853533954 1369347603 /nfs/dbraw/zinc/34/76/03/1369347603.db2.gz FJXOCDPIDYPUCS-OXQOHEQNSA-N 1 2 344.455 2.492 20 30 EEEDLO C=CC[N@@H+](CN1C(=O)C[C@](C)(c2ccc(C)cc2)C1=O)[C@H](C)COC ZINC000853533954 1369347610 /nfs/dbraw/zinc/34/76/10/1369347610.db2.gz FJXOCDPIDYPUCS-OXQOHEQNSA-N 1 2 344.455 2.492 20 30 EEEDLO CN(c1ccccc1)[C@H]1CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000853585289 1369355437 /nfs/dbraw/zinc/35/54/37/1369355437.db2.gz PRVSTLVFVUZNJN-SFHVURJKSA-N 1 2 348.450 2.377 20 30 EEEDLO CN(c1ccccc1)[C@H]1CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000853585289 1369355441 /nfs/dbraw/zinc/35/54/41/1369355441.db2.gz PRVSTLVFVUZNJN-SFHVURJKSA-N 1 2 348.450 2.377 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)C3CC=CC3)C2)C1 ZINC001072568120 1370747580 /nfs/dbraw/zinc/74/75/80/1370747580.db2.gz GHEVFQXLVVDRHK-UHFFFAOYSA-N 1 2 325.250 2.396 20 30 EEEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)C3CC=CC3)C2)C1 ZINC001072568120 1370747584 /nfs/dbraw/zinc/74/75/84/1370747584.db2.gz GHEVFQXLVVDRHK-UHFFFAOYSA-N 1 2 325.250 2.396 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001073560421 1370884221 /nfs/dbraw/zinc/88/42/21/1370884221.db2.gz LFYUDHPWUNDAIK-CAOSSQGBSA-N 1 2 326.868 2.382 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001073560421 1370884224 /nfs/dbraw/zinc/88/42/24/1370884224.db2.gz LFYUDHPWUNDAIK-CAOSSQGBSA-N 1 2 326.868 2.382 20 30 EEEDLO O=C(C#CC1CC1)N[C@]12CCC[C@H]1C[N@H+](Cc1coc(C3CC3)n1)C2 ZINC001111741754 1371237184 /nfs/dbraw/zinc/23/71/84/1371237184.db2.gz NGQQMXSBHVZNPZ-JXFKEZNVSA-N 1 2 339.439 2.436 20 30 EEEDLO O=C(C#CC1CC1)N[C@]12CCC[C@H]1C[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC001111741754 1371237192 /nfs/dbraw/zinc/23/71/92/1371237192.db2.gz NGQQMXSBHVZNPZ-JXFKEZNVSA-N 1 2 339.439 2.436 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](CO)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001122317705 1371962165 /nfs/dbraw/zinc/96/21/65/1371962165.db2.gz CZSSOVOTYUMBAD-AWEZNQCLSA-N 1 2 334.464 2.400 20 30 EEEDLO C#CCOCCC(=O)N1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1C ZINC001123279727 1372115508 /nfs/dbraw/zinc/11/55/08/1372115508.db2.gz IKHYQCXBMGSEAD-JKSUJKDBSA-N 1 2 344.459 2.350 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnn2cc(OC)ccc12 ZINC001367834158 1374280066 /nfs/dbraw/zinc/28/00/66/1374280066.db2.gz DKGOUVNTYAGKBY-GFCCVEGCSA-N 1 2 336.823 2.146 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnn2cc(OC)ccc12 ZINC001367834158 1374280068 /nfs/dbraw/zinc/28/00/68/1374280068.db2.gz DKGOUVNTYAGKBY-GFCCVEGCSA-N 1 2 336.823 2.146 20 30 EEEDLO N#Cc1ccc(C[NH2+]C2(CNC(=O)C(F)C(F)(F)F)CC2)c(F)c1 ZINC001368000846 1374321053 /nfs/dbraw/zinc/32/10/53/1374321053.db2.gz GUHCWURUIHKJGM-LBPRGKRZSA-N 1 2 347.287 2.336 20 30 EEEDLO N#Cc1ccc(C[NH2+]C2(CNC(=O)[C@H](F)C(F)(F)F)CC2)c(F)c1 ZINC001368000846 1374321056 /nfs/dbraw/zinc/32/10/56/1374321056.db2.gz GUHCWURUIHKJGM-LBPRGKRZSA-N 1 2 347.287 2.336 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C)NC(=O)C1CCCCC1 ZINC001372483143 1376032700 /nfs/dbraw/zinc/03/27/00/1376032700.db2.gz ZEHATSGYUXILMZ-AWEZNQCLSA-N 1 2 343.899 2.262 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C)NC(=O)C1CCCCC1 ZINC001372483143 1376032704 /nfs/dbraw/zinc/03/27/04/1376032704.db2.gz ZEHATSGYUXILMZ-AWEZNQCLSA-N 1 2 343.899 2.262 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)COC3CCCC3)C2)c1 ZINC001373493390 1376532274 /nfs/dbraw/zinc/53/22/74/1376532274.db2.gz JFPGQPGDWCIKER-UHFFFAOYSA-N 1 2 345.418 2.205 20 30 EEEDLO Cc1nc(C[N@@H+](C)CCN(C)C(=O)c2cc(C#N)c[nH]2)c(C)s1 ZINC001374480129 1376856700 /nfs/dbraw/zinc/85/67/00/1376856700.db2.gz PXFBMULUGWLYMK-UHFFFAOYSA-N 1 2 331.445 2.164 20 30 EEEDLO Cc1nc(C[N@H+](C)CCN(C)C(=O)c2cc(C#N)c[nH]2)c(C)s1 ZINC001374480129 1376856705 /nfs/dbraw/zinc/85/67/05/1376856705.db2.gz PXFBMULUGWLYMK-UHFFFAOYSA-N 1 2 331.445 2.164 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)Cc2cncs2)s1 ZINC001375316806 1377613566 /nfs/dbraw/zinc/61/35/66/1377613566.db2.gz CWQYUSIIOGNCFK-NSHDSACASA-N 1 2 332.454 2.009 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)Cc2cncs2)s1 ZINC001375316806 1377613568 /nfs/dbraw/zinc/61/35/68/1377613568.db2.gz CWQYUSIIOGNCFK-NSHDSACASA-N 1 2 332.454 2.009 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H](C)OCC)CC1 ZINC001375772732 1377989982 /nfs/dbraw/zinc/98/99/82/1377989982.db2.gz IUJMHHQKBRSZMX-LBPRGKRZSA-N 1 2 333.270 2.291 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NCC2([NH2+]Cc3csc(Cl)n3)CC2)c1 ZINC001380071622 1381036051 /nfs/dbraw/zinc/03/60/51/1381036051.db2.gz MBRVETUOTZSWER-UHFFFAOYSA-N 1 2 335.820 2.048 20 30 EEEDLO COCC[N@H+](CCNC(=O)[C@H]1CC12CC2)Cc1cc(C#N)ccc1F ZINC001382548505 1382132545 /nfs/dbraw/zinc/13/25/45/1382132545.db2.gz SCIRMDHARVABCK-MRXNPFEDSA-N 1 2 345.418 2.062 20 30 EEEDLO COCC[N@@H+](CCNC(=O)[C@H]1CC12CC2)Cc1cc(C#N)ccc1F ZINC001382548505 1382132547 /nfs/dbraw/zinc/13/25/47/1382132547.db2.gz SCIRMDHARVABCK-MRXNPFEDSA-N 1 2 345.418 2.062 20 30 EEEDLO C#CCN1CC[NH+](CCNC(=O)[C@H](c2ccccc2)[C@@H](C)CC)CC1 ZINC001752375738 1406291059 /nfs/dbraw/zinc/29/10/59/1406291059.db2.gz XNCWVNUDCAXCGS-ICSRJNTNSA-N 1 2 341.499 2.183 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(COC)CCOCC2)[C@@H]1C ZINC001394698075 1390740352 /nfs/dbraw/zinc/74/03/52/1390740352.db2.gz XEMNJSWMHMUREW-LSDHHAIUSA-N 1 2 344.883 2.151 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(COC)CCOCC2)[C@@H]1C ZINC001394698075 1390740354 /nfs/dbraw/zinc/74/03/54/1390740354.db2.gz XEMNJSWMHMUREW-LSDHHAIUSA-N 1 2 344.883 2.151 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H](C)[NH2+]Cc1nc(Cc2ccccc2)no1 ZINC001752891619 1406520856 /nfs/dbraw/zinc/52/08/56/1406520856.db2.gz NRIDDGNJTWCOOO-AWEZNQCLSA-N 1 2 342.443 2.467 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCC[N@H+](C)CC(=O)N1CCCCCCC1 ZINC001753061900 1406654655 /nfs/dbraw/zinc/65/46/55/1406654655.db2.gz PQAXGABLLNXZCD-QGZVFWFLSA-N 1 2 337.508 2.429 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCC[N@@H+](C)CC(=O)N1CCCCCCC1 ZINC001753061900 1406654669 /nfs/dbraw/zinc/65/46/69/1406654669.db2.gz PQAXGABLLNXZCD-QGZVFWFLSA-N 1 2 337.508 2.429 20 30 EEEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1cc(OC)no1 ZINC001399950969 1395732423 /nfs/dbraw/zinc/73/24/23/1395732423.db2.gz AYTGLIQNRDJXKN-UHFFFAOYSA-N 1 2 346.225 2.034 20 30 EEEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1cc(OC)no1 ZINC001399950969 1395732429 /nfs/dbraw/zinc/73/24/29/1395732429.db2.gz AYTGLIQNRDJXKN-UHFFFAOYSA-N 1 2 346.225 2.034 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H](C)NC(=O)c1ccccc1)C1CC1 ZINC001400042680 1395850941 /nfs/dbraw/zinc/85/09/41/1395850941.db2.gz NGELLGOSOYFJMR-AWEZNQCLSA-N 1 2 349.862 2.138 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H](C)NC(=O)c1ccccc1)C1CC1 ZINC001400042680 1395850943 /nfs/dbraw/zinc/85/09/43/1395850943.db2.gz NGELLGOSOYFJMR-AWEZNQCLSA-N 1 2 349.862 2.138 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1n[nH]c(=O)c2ccccc21 ZINC001401423326 1397268018 /nfs/dbraw/zinc/26/80/18/1397268018.db2.gz KNASEYCQTKWXAX-UHFFFAOYSA-N 1 2 334.807 2.092 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1n[nH]c(=O)c2ccccc21 ZINC001401423326 1397268029 /nfs/dbraw/zinc/26/80/29/1397268029.db2.gz KNASEYCQTKWXAX-UHFFFAOYSA-N 1 2 334.807 2.092 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1c(C)nc2ccnn2c1C ZINC001401768323 1397560520 /nfs/dbraw/zinc/56/05/20/1397560520.db2.gz WLENVGHOYBOBIU-LLVKDONJSA-N 1 2 335.839 2.149 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1c(C)nc2ccnn2c1C ZINC001401768323 1397560521 /nfs/dbraw/zinc/56/05/21/1397560521.db2.gz WLENVGHOYBOBIU-LLVKDONJSA-N 1 2 335.839 2.149 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1ccnn1CC ZINC001402631573 1398103487 /nfs/dbraw/zinc/10/34/87/1398103487.db2.gz SKGLWOSVRCOOPZ-UHFFFAOYSA-N 1 2 343.269 2.206 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1ccnn1CC ZINC001402631573 1398103493 /nfs/dbraw/zinc/10/34/93/1398103493.db2.gz SKGLWOSVRCOOPZ-UHFFFAOYSA-N 1 2 343.269 2.206 20 30 EEEDLO C=CCOCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(F)C(F)(F)F ZINC001754866152 1406971650 /nfs/dbraw/zinc/97/16/50/1406971650.db2.gz VPONQBBCOYDFNK-JHJVBQTASA-N 1 2 338.345 2.155 20 30 EEEDLO C=CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(F)C(F)(F)F ZINC001754866152 1406971651 /nfs/dbraw/zinc/97/16/51/1406971651.db2.gz VPONQBBCOYDFNK-JHJVBQTASA-N 1 2 338.345 2.155 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@H]([NH+]2CCN(CC(=C)C)CC2)C1 ZINC001755019265 1407038028 /nfs/dbraw/zinc/03/80/28/1407038028.db2.gz IOKOFIJCCNCWQW-ICSRJNTNSA-N 1 2 349.519 2.010 20 30 EEEDLO C=CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)=C1CCCC1)CO2 ZINC001755059716 1407066975 /nfs/dbraw/zinc/06/69/75/1407066975.db2.gz STYCGBOVMCCGHK-QGZVFWFLSA-N 1 2 334.460 2.039 20 30 EEEDLO C#CCCCCCC(=O)N1C[C@H]([NH2+]Cc2nc(C3CC3)no2)[C@@H](C)C1 ZINC001755113412 1407124229 /nfs/dbraw/zinc/12/42/29/1407124229.db2.gz HAYLGQQWOSABMQ-HOCLYGCPSA-N 1 2 344.459 2.467 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H](C)[N@H+](C)CC(=O)Nc1nccs1 ZINC001755315001 1407314567 /nfs/dbraw/zinc/31/45/67/1407314567.db2.gz JWGMPJCOGRJUFQ-BLLLJJGKSA-N 1 2 338.477 2.120 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H](C)[N@@H+](C)CC(=O)Nc1nccs1 ZINC001755315001 1407314575 /nfs/dbraw/zinc/31/45/75/1407314575.db2.gz JWGMPJCOGRJUFQ-BLLLJJGKSA-N 1 2 338.477 2.120 20 30 EEEDLO C=C1CC(C)(C(=O)NCCC[N@@H+](CC)Cc2nnc(C3CC3)[nH]2)C1 ZINC001752212541 1406233747 /nfs/dbraw/zinc/23/37/47/1406233747.db2.gz NUFWTQYQHDBPOL-UHFFFAOYSA-N 1 2 331.464 2.367 20 30 EEEDLO C=C1CC(C)(C(=O)NCCC[N@H+](CC)Cc2nnc(C3CC3)[nH]2)C1 ZINC001752212541 1406233758 /nfs/dbraw/zinc/23/37/58/1406233758.db2.gz NUFWTQYQHDBPOL-UHFFFAOYSA-N 1 2 331.464 2.367 20 30 EEEDLO Cc1nc([C@@H](C)[NH2+]C[C@@H](C2CC2)N(C)C(=O)C#CC(C)(C)C)no1 ZINC001755570515 1407640978 /nfs/dbraw/zinc/64/09/78/1407640978.db2.gz CKUWGDUECWBSAR-DOMZBBRYSA-N 1 2 332.448 2.315 20 30 EEEDLO C#CCOCCC(=O)N[C@]12CCC[C@H]1[N@H+](C/C(Cl)=C/Cl)CC2 ZINC001755700371 1407747126 /nfs/dbraw/zinc/74/71/26/1407747126.db2.gz DQHWGJHOEPFYNN-DHBRIPKISA-N 1 2 345.270 2.459 20 30 EEEDLO C#CCOCCC(=O)N[C@]12CCC[C@H]1[N@@H+](C/C(Cl)=C/Cl)CC2 ZINC001755700371 1407747129 /nfs/dbraw/zinc/74/71/29/1407747129.db2.gz DQHWGJHOEPFYNN-DHBRIPKISA-N 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C=CCCC(=O)NC[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)(C)C ZINC001756713185 1409242049 /nfs/dbraw/zinc/24/20/49/1409242049.db2.gz BVIYEQSAKCRKSG-ZBFHGGJFSA-N 1 2 346.475 2.059 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001756791023 1409332654 /nfs/dbraw/zinc/33/26/54/1409332654.db2.gz UPQYIOKEWUHUGE-CVEARBPZSA-N 1 2 344.459 2.032 20 30 EEEDLO C[C@@H](C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)n1cc[nH+]c1 ZINC001771639073 1409898962 /nfs/dbraw/zinc/89/89/62/1409898962.db2.gz FSKYCQNEQXUZQL-JEYLPNPQSA-N 1 2 339.399 2.217 20 30 EEEDLO CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CCC#N)CC1CC1 ZINC001772200154 1410093673 /nfs/dbraw/zinc/09/36/73/1410093673.db2.gz OXJGRGUPLWLQMT-INIZCTEOSA-N 1 2 346.479 2.210 20 30 EEEDLO CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(CCC#N)CC1CC1 ZINC001772200154 1410093676 /nfs/dbraw/zinc/09/36/76/1410093676.db2.gz OXJGRGUPLWLQMT-INIZCTEOSA-N 1 2 346.479 2.210 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@@H](O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001124322040 1410326278 /nfs/dbraw/zinc/32/62/78/1410326278.db2.gz GJQQQBIFVXOBON-INIZCTEOSA-N 1 2 346.475 2.333 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC(CC)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001069544752 1411057429 /nfs/dbraw/zinc/05/74/29/1411057429.db2.gz VYTDLKKDEGTNGA-HZPDHXFCSA-N 1 2 346.475 2.229 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cc(C4CC4)no3)C2)s1 ZINC001032016527 782368442 /nfs/dbraw/zinc/36/84/42/782368442.db2.gz NZYBVCJTBYWJAY-UHFFFAOYSA-N 1 2 342.424 2.347 20 30 EEEDLO Cc1nsc(NC[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1C#N ZINC001104259012 757758735 /nfs/dbraw/zinc/75/87/35/757758735.db2.gz VSMJWWSMMWFFQF-MVWJERBFSA-N 1 2 344.444 2.014 20 30 EEEDLO Cc1nsc(NC[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1C#N ZINC001104259012 757758739 /nfs/dbraw/zinc/75/87/39/757758739.db2.gz VSMJWWSMMWFFQF-MVWJERBFSA-N 1 2 344.444 2.014 20 30 EEEDLO CC(C)[C@@H](C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001083213325 759444287 /nfs/dbraw/zinc/44/42/87/759444287.db2.gz 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334.847 2.022 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1 ZINC001109681649 805869893 /nfs/dbraw/zinc/86/98/93/805869893.db2.gz CBLPFYKHJWJVHI-NHAYFPRASA-N 1 2 347.503 2.227 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1 ZINC001109681649 805869903 /nfs/dbraw/zinc/86/99/03/805869903.db2.gz CBLPFYKHJWJVHI-NHAYFPRASA-N 1 2 347.503 2.227 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060783483 788455089 /nfs/dbraw/zinc/45/50/89/788455089.db2.gz IBWYGLGJHYKDOR-KLHDSHLOSA-N 1 2 346.475 2.202 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cncc3ccccc32)[C@@H](O)C1 ZINC001090824064 788477471 /nfs/dbraw/zinc/47/74/71/788477471.db2.gz NXIUHLXVMAHHQH-SJORKVTESA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cncc3ccccc32)[C@@H](O)C1 ZINC001090824064 788477476 /nfs/dbraw/zinc/47/74/76/788477476.db2.gz NXIUHLXVMAHHQH-SJORKVTESA-N 1 2 345.830 2.152 20 30 EEEDLO 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/nfs/dbraw/zinc/31/40/96/796314096.db2.gz XYZKAPCJEUWMBL-CYBMUJFWSA-N 1 2 332.448 2.173 20 30 EEEDLO C#Cc1ccc(C(=O)NC2C[NH+](Cc3ccc4ncccc4c3)C2)cn1 ZINC001031277710 796637806 /nfs/dbraw/zinc/63/78/06/796637806.db2.gz OPOYHQSFZQXRHT-UHFFFAOYSA-N 1 2 342.402 2.225 20 30 EEEDLO C=CCCC(=O)NCc1ccc([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001060581126 796644333 /nfs/dbraw/zinc/64/43/33/796644333.db2.gz LQJRLFNCBJDCFK-AWEZNQCLSA-N 1 2 340.427 2.412 20 30 EEEDLO CCN(CCNc1cccc(F)c1C#N)C(=O)Cc1[nH]c[nH+]c1C ZINC001106813388 796688980 /nfs/dbraw/zinc/68/89/80/796688980.db2.gz BKFATWNQEAPLKQ-UHFFFAOYSA-N 1 2 329.379 2.232 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cccc(C)c1 ZINC001081314200 796726448 /nfs/dbraw/zinc/72/64/48/796726448.db2.gz WIVDHWITDFVRIC-WOJBJXKFSA-N 1 2 349.434 2.496 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cccc(C)c1 ZINC001081314200 796726452 /nfs/dbraw/zinc/72/64/52/796726452.db2.gz WIVDHWITDFVRIC-WOJBJXKFSA-N 1 2 349.434 2.496 20 30 EEEDLO N#Cc1c(F)cccc1NCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001094866724 796863963 /nfs/dbraw/zinc/86/39/63/796863963.db2.gz FUNSSSSMJWYSAW-VXGBXAGGSA-N 1 2 327.363 2.142 20 30 EEEDLO N#Cc1c(F)cccc1NCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001094866724 796863964 /nfs/dbraw/zinc/86/39/64/796863964.db2.gz FUNSSSSMJWYSAW-VXGBXAGGSA-N 1 2 327.363 2.142 20 30 EEEDLO Cc1nsc(NCCCCCCNC(=O)Cc2[nH]cc[nH+]2)c1C#N ZINC001094968164 797138445 /nfs/dbraw/zinc/13/84/45/797138445.db2.gz WVFBKXXAWRTCOB-UHFFFAOYSA-N 1 2 346.460 2.378 20 30 EEEDLO CCOC(=O)C1(C#N)CC[NH+]([C@H]2COc3cccc(OC)c3C2)CC1 ZINC001173168867 797290080 /nfs/dbraw/zinc/29/00/80/797290080.db2.gz UBTWKLFYGKGJDQ-CQSZACIVSA-N 1 2 344.411 2.168 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001095097856 797342115 /nfs/dbraw/zinc/34/21/15/797342115.db2.gz ROGLIUWHFGJJCN-WBVHZDCISA-N 1 2 346.475 2.420 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001082252450 797371969 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20 30 EEEDLO CC[C@@H](C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001083006201 797822763 /nfs/dbraw/zinc/82/27/63/797822763.db2.gz YHUYFIYFNFSCSZ-JEBQAFNWSA-N 1 2 345.418 2.155 20 30 EEEDLO CC[C@@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001083006201 797822770 /nfs/dbraw/zinc/82/27/70/797822770.db2.gz YHUYFIYFNFSCSZ-JEBQAFNWSA-N 1 2 345.418 2.155 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cccc4)c3)[C@H]2C1 ZINC001083134220 797881813 /nfs/dbraw/zinc/88/18/13/797881813.db2.gz NILQTCKDKKVNRU-VQTJNVASSA-N 1 2 349.434 2.026 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cccc4)c3)[C@H]2C1 ZINC001083134220 797881824 /nfs/dbraw/zinc/88/18/24/797881824.db2.gz NILQTCKDKKVNRU-VQTJNVASSA-N 1 2 349.434 2.026 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C(N)=O)cc2)[C@@H]1C ZINC000994390855 797927661 /nfs/dbraw/zinc/92/76/61/797927661.db2.gz QYNJHLNLTBQJSA-WFASDCNBSA-N 1 2 335.835 2.121 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(N)=O)cc2)[C@@H]1C ZINC000994390855 797927664 /nfs/dbraw/zinc/92/76/64/797927664.db2.gz QYNJHLNLTBQJSA-WFASDCNBSA-N 1 2 335.835 2.121 20 30 EEEDLO C[N@@H+]1CCCn2nc(C(=O)Nc3ccc4c(C#N)c[nH]c4c3)cc2C1 ZINC001175089235 797996246 /nfs/dbraw/zinc/99/62/46/797996246.db2.gz WCYOLEBLOPKWAL-UHFFFAOYSA-N 1 2 334.383 2.324 20 30 EEEDLO C[N@H+]1CCCn2nc(C(=O)Nc3ccc4c(C#N)c[nH]c4c3)cc2C1 ZINC001175089235 797996248 /nfs/dbraw/zinc/99/62/48/797996248.db2.gz WCYOLEBLOPKWAL-UHFFFAOYSA-N 1 2 334.383 2.324 20 30 EEEDLO C[C@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)c1[nH]ncc1F ZINC001175135534 798011865 /nfs/dbraw/zinc/01/18/65/798011865.db2.gz UAVXGQILFZUKNX-OAHLLOKOSA-N 1 2 342.418 2.479 20 30 EEEDLO N#Cc1cnn(-c2ncccn2)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175348522 798067766 /nfs/dbraw/zinc/06/77/66/798067766.db2.gz GNSAHMZRRRCMDE-UHFFFAOYSA-N 1 2 332.371 2.273 20 30 EEEDLO Cc1ocnc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084221180 798081830 /nfs/dbraw/zinc/08/18/30/798081830.db2.gz JLUIAGWYCZHODJ-IUODEOHRSA-N 1 2 342.424 2.263 20 30 EEEDLO Cc1ocnc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084221180 798081836 /nfs/dbraw/zinc/08/18/36/798081836.db2.gz JLUIAGWYCZHODJ-IUODEOHRSA-N 1 2 342.424 2.263 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001060687599 798084954 /nfs/dbraw/zinc/08/49/54/798084954.db2.gz FVMIJHLWPZKCRX-SHTZXODSSA-N 1 2 332.448 2.018 20 30 EEEDLO C=C(Cl)CN1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)[C@@H]2C1 ZINC001084446172 798230563 /nfs/dbraw/zinc/23/05/63/798230563.db2.gz VZZPEZIGNFVQTO-HUUCEWRRSA-N 1 2 336.867 2.212 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC2CC[NH+](Cc3coc(C4CC4)n3)CC2)c1 ZINC001002551758 798245279 /nfs/dbraw/zinc/24/52/79/798245279.db2.gz QHKUOXJJNLQHJP-UHFFFAOYSA-N 1 2 339.399 2.146 20 30 EEEDLO CCc1nc(C[NH+]2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)cs1 ZINC001002544484 798255636 /nfs/dbraw/zinc/25/56/36/798255636.db2.gz IKJCLHFEVXQZKZ-UHFFFAOYSA-N 1 2 343.456 2.300 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001084573961 798285748 /nfs/dbraw/zinc/28/57/48/798285748.db2.gz JGRRRMCLLDHKNC-NVXWUHKLSA-N 1 2 347.503 2.180 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)C[C@H]21 ZINC001084573961 798285752 /nfs/dbraw/zinc/28/57/52/798285752.db2.gz JGRRRMCLLDHKNC-NVXWUHKLSA-N 1 2 347.503 2.180 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CCCCO2)CC1 ZINC001002609838 798313892 /nfs/dbraw/zinc/31/38/92/798313892.db2.gz YTUKMHOUXRJUJX-CYBMUJFWSA-N 1 2 331.254 2.045 20 30 EEEDLO C[NH+]1CCN(c2ccc(Nc3cc(C#N)c(F)cc3O)cn2)CC1 ZINC001176662059 798537834 /nfs/dbraw/zinc/53/78/34/798537834.db2.gz XHYMDKFKUPPCKE-UHFFFAOYSA-N 1 2 327.363 2.293 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C)oc3C)C[C@@H]21 ZINC001176899911 798640967 /nfs/dbraw/zinc/64/09/67/798640967.db2.gz DNWSZKJEDYNPAK-ZWKOTPCHSA-N 1 2 348.443 2.014 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C)oc3C)C[C@@H]21 ZINC001176899911 798640968 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338.415 2.287 20 30 EEEDLO C#CCCCS(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000791418106 809235117 /nfs/dbraw/zinc/23/51/17/809235117.db2.gz WXVZXRWPTJMPST-HNNXBMFYSA-N 1 2 328.865 2.276 20 30 EEEDLO C=CCCOCCCCC(=O)NC[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113717782 809635874 /nfs/dbraw/zinc/63/58/74/809635874.db2.gz IQSMTZGACXIRGZ-OAHLLOKOSA-N 1 2 334.464 2.489 20 30 EEEDLO C(#Cc1ccccc1)CNc1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001170428958 810221962 /nfs/dbraw/zinc/22/19/62/810221962.db2.gz DWIFZEGNDMFQNK-UHFFFAOYSA-N 1 2 337.423 2.256 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001114111939 810363714 /nfs/dbraw/zinc/36/37/14/810363714.db2.gz RDLZRJIVIIBWNV-VQFNDLOPSA-N 1 2 345.443 2.081 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001114111939 810363720 /nfs/dbraw/zinc/36/37/20/810363720.db2.gz RDLZRJIVIIBWNV-VQFNDLOPSA-N 1 2 345.443 2.081 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(CC(C)C)no3)C[C@H]21 ZINC001114160113 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/nfs/dbraw/zinc/11/68/66/1119116866.db2.gz RAMDRGCQDHHZEW-MRXNPFEDSA-N 1 2 333.480 2.455 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H](CO)[C@H]1C ZINC001520331165 1119146542 /nfs/dbraw/zinc/14/65/42/1119146542.db2.gz MOEAGAGFMSIPCB-HZPDHXFCSA-N 1 2 333.480 2.047 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001567887233 1124158310 /nfs/dbraw/zinc/15/83/10/1124158310.db2.gz IRTWVXFRDPDMAF-RHSMWYFYSA-N 1 2 345.418 2.369 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001567887233 1124158312 /nfs/dbraw/zinc/15/83/12/1124158312.db2.gz IRTWVXFRDPDMAF-RHSMWYFYSA-N 1 2 345.418 2.369 20 30 EEEDLO Cc1noc([C@H]2CCC[N@H+](CC(=O)Nc3sccc3C#N)C2)n1 ZINC000052861528 214150043 /nfs/dbraw/zinc/15/00/43/214150043.db2.gz WXQSAJCABBTLBA-LBPRGKRZSA-N 1 2 331.401 2.129 20 30 EEEDLO Cc1noc([C@H]2CCC[N@@H+](CC(=O)Nc3sccc3C#N)C2)n1 ZINC000052861528 214150046 /nfs/dbraw/zinc/15/00/46/214150046.db2.gz WXQSAJCABBTLBA-LBPRGKRZSA-N 1 2 331.401 2.129 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000066868983 215088158 /nfs/dbraw/zinc/08/81/58/215088158.db2.gz YFOMTBOVLJERGE-OAHLLOKOSA-N 1 2 348.878 2.446 20 30 EEEDLO CCN(C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[C@H]1CCOC(C)(C)C1 ZINC000329605126 539777568 /nfs/dbraw/zinc/77/75/68/539777568.db2.gz LZVRYQKKJMRDKW-PMPSAXMXSA-N 1 2 341.496 2.289 20 30 EEEDLO COc1ccc2c(c1)CCC[C@@H]2NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329910660 539785288 /nfs/dbraw/zinc/78/52/88/539785288.db2.gz ABUVGIGRPTZACA-KSZLIROESA-N 1 2 345.443 2.001 20 30 EEEDLO COc1ccc2c(c1)CCC[C@@H]2NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329910660 539785291 /nfs/dbraw/zinc/78/52/91/539785291.db2.gz ABUVGIGRPTZACA-KSZLIROESA-N 1 2 345.443 2.001 20 30 EEEDLO C#CCN(CC)C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270196701 201235860 /nfs/dbraw/zinc/23/58/60/201235860.db2.gz OLOXJOSMKQYHOA-UHFFFAOYSA-N 1 2 348.406 2.022 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000275506893 201283449 /nfs/dbraw/zinc/28/34/49/201283449.db2.gz CMLKYBZDQZCDMK-ICSRJNTNSA-N 1 2 346.471 2.232 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000275506893 201283452 /nfs/dbraw/zinc/28/34/52/201283452.db2.gz CMLKYBZDQZCDMK-ICSRJNTNSA-N 1 2 346.471 2.232 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000275851809 201287580 /nfs/dbraw/zinc/28/75/80/201287580.db2.gz WLDDFFKDMBMGMW-QGZVFWFLSA-N 1 2 337.489 2.325 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000279777124 201322375 /nfs/dbraw/zinc/32/23/75/201322375.db2.gz SUSVSBSDUVLBSM-RTBURBONSA-N 1 2 339.439 2.184 20 30 EEEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000279160783 201314195 /nfs/dbraw/zinc/31/41/95/201314195.db2.gz BEJLYXRKGKKVNY-UHFFFAOYSA-N 1 2 330.457 2.364 20 30 EEEDLO C#CC(C)(C)[N@H+](C)Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000279160783 201314198 /nfs/dbraw/zinc/31/41/98/201314198.db2.gz BEJLYXRKGKKVNY-UHFFFAOYSA-N 1 2 330.457 2.364 20 30 EEEDLO N#Cc1ccc(CNC(=O)C2CC[NH+](CC(F)F)CC2)cc1F ZINC000456850644 244373239 /nfs/dbraw/zinc/37/32/39/244373239.db2.gz XQXLPWDNQDCJAI-UHFFFAOYSA-N 1 2 325.334 2.291 20 30 EEEDLO Cc1cc(C)nc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)n1 ZINC000129852807 205213549 /nfs/dbraw/zinc/21/35/49/205213549.db2.gz HJSGTJGFYMSWCQ-UHFFFAOYSA-N 1 2 325.391 2.426 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(C)c(OC)c2)n1 ZINC000491524092 246058381 /nfs/dbraw/zinc/05/83/81/246058381.db2.gz IYCJSSRNCWMGFQ-UHFFFAOYSA-N 1 2 327.428 2.482 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(C)c(OC)c2)n1 ZINC000491524092 246058385 /nfs/dbraw/zinc/05/83/85/246058385.db2.gz IYCJSSRNCWMGFQ-UHFFFAOYSA-N 1 2 327.428 2.482 20 30 EEEDLO N#Cc1cccc(OCCC[NH+]2CCN(C(=O)c3ccco3)CC2)c1 ZINC000155398192 206005077 /nfs/dbraw/zinc/00/50/77/206005077.db2.gz WECJVVBRTNKRGX-UHFFFAOYSA-N 1 2 339.395 2.378 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(F)cc1F ZINC000155624466 206022060 /nfs/dbraw/zinc/02/20/60/206022060.db2.gz WDSITHKWLVFMLU-GFCCVEGCSA-N 1 2 329.354 2.337 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(F)cc1F ZINC000155624466 206022066 /nfs/dbraw/zinc/02/20/66/206022066.db2.gz WDSITHKWLVFMLU-GFCCVEGCSA-N 1 2 329.354 2.337 20 30 EEEDLO COC[C@H](C)O[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000495463202 247165063 /nfs/dbraw/zinc/16/50/63/247165063.db2.gz GZYFLSHCNUJPIE-LBPRGKRZSA-N 1 2 337.420 2.383 20 30 EEEDLO CN(C)c1ccc(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)c[nH+]1 ZINC000268789246 252239146 /nfs/dbraw/zinc/23/91/46/252239146.db2.gz XICUUWGEDWIQLF-UHFFFAOYSA-N 1 2 338.411 2.493 20 30 EEEDLO COCCc1noc(C[N@H+](C)Cc2ccc(N(C)CCC#N)cc2)n1 ZINC000093587399 533329895 /nfs/dbraw/zinc/32/98/95/533329895.db2.gz CLBFEHOBHZOIPV-UHFFFAOYSA-N 1 2 343.431 2.240 20 30 EEEDLO COCCc1noc(C[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)n1 ZINC000093587399 533329900 /nfs/dbraw/zinc/32/99/00/533329900.db2.gz CLBFEHOBHZOIPV-UHFFFAOYSA-N 1 2 343.431 2.240 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)c(F)c1 ZINC000109064114 159345902 /nfs/dbraw/zinc/34/59/02/159345902.db2.gz UMFAFNFDWMQPQO-INIZCTEOSA-N 1 2 333.432 2.237 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)N2CCSCC2)c(F)c1 ZINC000109064114 159345903 /nfs/dbraw/zinc/34/59/03/159345903.db2.gz UMFAFNFDWMQPQO-INIZCTEOSA-N 1 2 333.432 2.237 20 30 EEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000342174608 161045376 /nfs/dbraw/zinc/04/53/76/161045376.db2.gz HQDNHKKRUKNHIO-LBPRGKRZSA-N 1 2 332.835 2.001 20 30 EEEDLO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nnnn1-c1ccccc1 ZINC000342733160 161086869 /nfs/dbraw/zinc/08/68/69/161086869.db2.gz SNGGMHSOQXHXIU-CYBMUJFWSA-N 1 2 344.382 2.032 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)o1 ZINC000355417556 163182953 /nfs/dbraw/zinc/18/29/53/163182953.db2.gz KFAQFDSSSBBYSM-ZDUSSCGKSA-N 1 2 334.173 2.230 20 30 EEEDLO N#Cc1cccc(CCNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)c1 ZINC000359929564 164198308 /nfs/dbraw/zinc/19/83/08/164198308.db2.gz JRNXHSPCPDATCR-KRWDZBQOSA-N 1 2 337.427 2.212 20 30 EEEDLO N#Cc1cccc(CCNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)c1 ZINC000359929564 164198311 /nfs/dbraw/zinc/19/83/11/164198311.db2.gz JRNXHSPCPDATCR-KRWDZBQOSA-N 1 2 337.427 2.212 20 30 EEEDLO N#Cc1ccc(O[C@H]2CCN(c3cc(N4CCCC4)[nH+]cn3)C2)nc1 ZINC000368182316 166064688 /nfs/dbraw/zinc/06/46/88/166064688.db2.gz DXGKJNCPTVJJIU-HNNXBMFYSA-N 1 2 336.399 2.001 20 30 EEEDLO N#Cc1ccc(O[C@H]2CCN(c3cc(N4CCCC4)nc[nH+]3)C2)nc1 ZINC000368182316 166064691 /nfs/dbraw/zinc/06/46/91/166064691.db2.gz DXGKJNCPTVJJIU-HNNXBMFYSA-N 1 2 336.399 2.001 20 30 EEEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)C1 ZINC000374355730 167023973 /nfs/dbraw/zinc/02/39/73/167023973.db2.gz ZIQCWKJEDWQBPL-SFHVURJKSA-N 1 2 341.436 2.164 20 30 EEEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)C1 ZINC000374355730 167023975 /nfs/dbraw/zinc/02/39/75/167023975.db2.gz ZIQCWKJEDWQBPL-SFHVURJKSA-N 1 2 341.436 2.164 20 30 EEEDLO CCC1(CC)CN(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C(=O)O1 ZINC000496005326 270021553 /nfs/dbraw/zinc/02/15/53/270021553.db2.gz GNXMRJSTVLETQH-OAHLLOKOSA-N 1 2 344.415 2.375 20 30 EEEDLO CCC1(CC)CN(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C(=O)O1 ZINC000496005326 270021554 /nfs/dbraw/zinc/02/15/54/270021554.db2.gz GNXMRJSTVLETQH-OAHLLOKOSA-N 1 2 344.415 2.375 20 30 EEEDLO C[C@H]1CC(F)(F)CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000528765062 270022270 /nfs/dbraw/zinc/02/22/70/270022270.db2.gz GJTVDBZMYQBHPI-LBPRGKRZSA-N 1 2 328.384 2.452 20 30 EEEDLO C[C@H]1CC(F)(F)CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000528765062 270022271 /nfs/dbraw/zinc/02/22/71/270022271.db2.gz GJTVDBZMYQBHPI-LBPRGKRZSA-N 1 2 328.384 2.452 20 30 EEEDLO N#Cc1cccc(C2(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)c1 ZINC000533576264 270022879 /nfs/dbraw/zinc/02/28/79/270022879.db2.gz ZEBDKCFFDHILHM-KRWDZBQOSA-N 1 2 332.407 2.380 20 30 EEEDLO CN(CC(F)(F)F)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000330384287 266530869 /nfs/dbraw/zinc/53/08/69/266530869.db2.gz ZFKNKXTWTHYITH-UHFFFAOYSA-N 1 2 340.349 2.290 20 30 EEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2c(C#N)cccc2C#N)C1 ZINC000440656938 266852322 /nfs/dbraw/zinc/85/23/22/266852322.db2.gz UXACLUDUKUYNEZ-LJQANCHMSA-N 1 2 340.427 2.330 20 30 EEEDLO CS(=O)(=O)N(Cc1cn2c([nH+]1)CCCC2)Cc1ccccc1C#N ZINC000332330954 266915994 /nfs/dbraw/zinc/91/59/94/266915994.db2.gz QFRHUCJKDLYPHF-UHFFFAOYSA-N 1 2 344.440 2.053 20 30 EEEDLO C[C@@H](c1cccc(O)c1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290015857 267002740 /nfs/dbraw/zinc/00/27/40/267002740.db2.gz SNAPIXWYQXSGTD-ZDUSSCGKSA-N 1 2 345.424 2.126 20 30 EEEDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290015857 267002742 /nfs/dbraw/zinc/00/27/42/267002742.db2.gz SNAPIXWYQXSGTD-ZDUSSCGKSA-N 1 2 345.424 2.126 20 30 EEEDLO C[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000287842086 267024268 /nfs/dbraw/zinc/02/42/68/267024268.db2.gz LXMGPAGYNWCTAO-ABAIWWIYSA-N 1 2 326.360 2.333 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC2(CC1)OCCCO2 ZINC000292975993 267141079 /nfs/dbraw/zinc/14/10/79/267141079.db2.gz KSHCKUGNCUXDPD-CQSZACIVSA-N 1 2 329.400 2.114 20 30 EEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)OCCCO3)cc1Cl ZINC000293029799 268139317 /nfs/dbraw/zinc/13/93/17/268139317.db2.gz PQRGCGUZQQUFBS-UHFFFAOYSA-N 1 2 349.818 2.379 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000286529004 268205526 /nfs/dbraw/zinc/20/55/26/268205526.db2.gz GHWQWNOXJNUWMT-HNNXBMFYSA-N 1 2 345.424 2.094 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000286529004 268205527 /nfs/dbraw/zinc/20/55/27/268205527.db2.gz GHWQWNOXJNUWMT-HNNXBMFYSA-N 1 2 345.424 2.094 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000521944016 268263766 /nfs/dbraw/zinc/26/37/66/268263766.db2.gz CGZKRJHJCQIRJR-BRWVUGGUSA-N 1 2 325.412 2.118 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000521944016 268263768 /nfs/dbraw/zinc/26/37/68/268263768.db2.gz CGZKRJHJCQIRJR-BRWVUGGUSA-N 1 2 325.412 2.118 20 30 EEEDLO N#Cc1csc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000355182759 268320180 /nfs/dbraw/zinc/32/01/80/268320180.db2.gz FDQNGFPJLAEHAC-SCLBCKFNSA-N 1 2 334.404 2.465 20 30 EEEDLO N#Cc1csc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000355182759 268320181 /nfs/dbraw/zinc/32/01/81/268320181.db2.gz FDQNGFPJLAEHAC-SCLBCKFNSA-N 1 2 334.404 2.465 20 30 EEEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000181786032 274091063 /nfs/dbraw/zinc/09/10/63/274091063.db2.gz DZTARPPHZRYSHD-KRWDZBQOSA-N 1 2 344.436 2.442 20 30 EEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)[C@H](C)C1 ZINC000451527831 279365161 /nfs/dbraw/zinc/36/51/61/279365161.db2.gz DSDOYYMBCGUCMJ-GFCCVEGCSA-N 1 2 341.864 2.121 20 30 EEEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)[C@H](C)C1 ZINC000451527831 279365164 /nfs/dbraw/zinc/36/51/64/279365164.db2.gz DSDOYYMBCGUCMJ-GFCCVEGCSA-N 1 2 341.864 2.121 20 30 EEEDLO Cc1cc(C#N)cnc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000549285844 318432902 /nfs/dbraw/zinc/43/29/02/318432902.db2.gz MOZDTFVHCFLNII-UHFFFAOYSA-N 1 2 331.379 2.437 20 30 EEEDLO Cc1nnc([C@@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)[nH]1 ZINC000578223121 320301829 /nfs/dbraw/zinc/30/18/29/320301829.db2.gz SFLVXUIKNYXQBW-GFCCVEGCSA-N 1 2 344.806 2.066 20 30 EEEDLO Cc1nnc([C@@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)[nH]1 ZINC000578223121 320301830 /nfs/dbraw/zinc/30/18/30/320301830.db2.gz SFLVXUIKNYXQBW-GFCCVEGCSA-N 1 2 344.806 2.066 20 30 EEEDLO CCN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000581989543 324355969 /nfs/dbraw/zinc/35/59/69/324355969.db2.gz SYXUOKPEWVQWEW-RCCFBDPRSA-N 1 2 349.438 2.290 20 30 EEEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)ncc1C#N ZINC000603115517 450077730 /nfs/dbraw/zinc/07/77/30/450077730.db2.gz ZRQXDSALFOXJKB-UHFFFAOYSA-N 1 2 336.399 2.006 20 30 EEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Nc1nn(C)cc1C#N ZINC000619536890 450500655 /nfs/dbraw/zinc/50/06/55/450500655.db2.gz ACJJUPZJSJCCFT-ZDUSSCGKSA-N 1 2 327.392 2.267 20 30 EEEDLO CO[C@H]1CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1(C)C ZINC000296282697 465142787 /nfs/dbraw/zinc/14/27/87/465142787.db2.gz ZDLIYRVGKQTXLO-KBPBESRZSA-N 1 2 333.457 2.472 20 30 EEEDLO CO[C@H]1CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1(C)C ZINC000296282697 465142790 /nfs/dbraw/zinc/14/27/90/465142790.db2.gz ZDLIYRVGKQTXLO-KBPBESRZSA-N 1 2 333.457 2.472 20 30 EEEDLO C[C@@H]1C[C@H](C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCC1=O ZINC000328907631 465163311 /nfs/dbraw/zinc/16/33/11/465163311.db2.gz CGIMFESVDCJIBJ-CKEIUWERSA-N 1 2 340.489 2.156 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1[C@H](C)COC[C@H]1c1ccccc1 ZINC000354878810 465208863 /nfs/dbraw/zinc/20/88/63/465208863.db2.gz PSTDUJOPVQOIMU-NUJGCVRESA-N 1 2 329.444 2.457 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1[C@H](C)COC[C@H]1c1ccccc1 ZINC000354878810 465208867 /nfs/dbraw/zinc/20/88/67/465208867.db2.gz PSTDUJOPVQOIMU-NUJGCVRESA-N 1 2 329.444 2.457 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)C1=O ZINC000337175978 465228885 /nfs/dbraw/zinc/22/88/85/465228885.db2.gz IZMLJBYNMHBASN-ZWKOTPCHSA-N 1 2 342.418 2.367 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)C1=O ZINC000337175978 465228890 /nfs/dbraw/zinc/22/88/90/465228890.db2.gz IZMLJBYNMHBASN-ZWKOTPCHSA-N 1 2 342.418 2.367 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CCN(Cc3ccccc3)[C@H](CC)C2)C1=O ZINC000337205793 465242528 /nfs/dbraw/zinc/24/25/28/465242528.db2.gz LGAZEOTWRDMEKT-MOPGFXCFSA-N 1 2 327.472 2.370 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CCN(Cc3ccccc3)[C@H](CC)C2)C1=O ZINC000337205793 465242535 /nfs/dbraw/zinc/24/25/35/465242535.db2.gz LGAZEOTWRDMEKT-MOPGFXCFSA-N 1 2 327.472 2.370 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000297192813 465248266 /nfs/dbraw/zinc/24/82/66/465248266.db2.gz QVASNOJJTHZZCM-MRXNPFEDSA-N 1 2 337.423 2.049 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(C#N)cc1)C(C)(C)CO ZINC000297657862 465266156 /nfs/dbraw/zinc/26/61/56/465266156.db2.gz JHUHWUBEDMLFPV-AWEZNQCLSA-N 1 2 327.388 2.173 20 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/nfs/dbraw/zinc/30/30/57/465303057.db2.gz MGHDISCSXCOEAD-OAHLLOKOSA-N 1 2 332.448 2.492 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000342802711 465354777 /nfs/dbraw/zinc/35/47/77/465354777.db2.gz PHOWQYSVCQHWJD-ZDUSSCGKSA-N 1 2 344.415 2.319 20 30 EEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N(C)C[C@H](C)C#N)cc1 ZINC000339568932 465356170 /nfs/dbraw/zinc/35/61/70/465356170.db2.gz OAILFLOFZSTXPX-AEFFLSMTSA-N 1 2 344.459 2.169 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(F)c(Cl)c1 ZINC000127451058 462554955 /nfs/dbraw/zinc/55/49/55/462554955.db2.gz APHGSZXANWSOMV-UHFFFAOYSA-N 1 2 339.798 2.167 20 30 EEEDLO Cc1cccn2cc(CNS(=O)(=O)c3cc(C#N)ccc3C)[nH+]c12 ZINC000128773656 462669419 /nfs/dbraw/zinc/66/94/19/462669419.db2.gz QOVRSZOBUXBJJR-UHFFFAOYSA-N 1 2 340.408 2.301 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccncc2)cc1 ZINC000579113366 468311751 /nfs/dbraw/zinc/31/17/51/468311751.db2.gz VAFIQPMNFLVKOO-MRXNPFEDSA-N 1 2 326.400 2.492 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccncc2)cc1 ZINC000579113366 468311752 /nfs/dbraw/zinc/31/17/52/468311752.db2.gz VAFIQPMNFLVKOO-MRXNPFEDSA-N 1 2 326.400 2.492 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000116324946 462755414 /nfs/dbraw/zinc/75/54/14/462755414.db2.gz BIZIMTCDMXZZNY-HNNXBMFYSA-N 1 2 333.457 2.097 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000116324946 462755416 /nfs/dbraw/zinc/75/54/16/462755416.db2.gz BIZIMTCDMXZZNY-HNNXBMFYSA-N 1 2 333.457 2.097 20 30 EEEDLO C#CCSCCNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000130444673 462756083 /nfs/dbraw/zinc/75/60/83/462756083.db2.gz SOQJHJWBZYTZIC-UHFFFAOYSA-N 1 2 333.482 2.359 20 30 EEEDLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)o1 ZINC000131206325 462799200 /nfs/dbraw/zinc/79/92/00/462799200.db2.gz FIELUFGRQISMPK-INIZCTEOSA-N 1 2 344.415 2.219 20 30 EEEDLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)CCC#N)o1 ZINC000131206325 462799205 /nfs/dbraw/zinc/79/92/05/462799205.db2.gz FIELUFGRQISMPK-INIZCTEOSA-N 1 2 344.415 2.219 20 30 EEEDLO C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)[nH+]c2C)c1 ZINC000119326194 462889795 /nfs/dbraw/zinc/88/97/95/462889795.db2.gz SABMGQRFXNVLRM-UHFFFAOYSA-N 1 2 345.424 2.415 20 30 EEEDLO CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000077169899 462946603 /nfs/dbraw/zinc/94/66/03/462946603.db2.gz HCOICYKPUOUMBB-NHYWBVRUSA-N 1 2 348.834 2.139 20 30 EEEDLO CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000077169899 462946609 /nfs/dbraw/zinc/94/66/09/462946609.db2.gz HCOICYKPUOUMBB-NHYWBVRUSA-N 1 2 348.834 2.139 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2cc(OCCC)ccc2C1 ZINC000134521144 463051279 /nfs/dbraw/zinc/05/12/79/463051279.db2.gz YSCPWNNJASHADT-CQSZACIVSA-N 1 2 345.443 2.234 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2cc(OCCC)ccc2C1 ZINC000134521144 463051283 /nfs/dbraw/zinc/05/12/83/463051283.db2.gz YSCPWNNJASHADT-CQSZACIVSA-N 1 2 345.443 2.234 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N[C@@H](C)c2ccccc2)cs1 ZINC000067953722 463072767 /nfs/dbraw/zinc/07/27/67/463072767.db2.gz OEVGTGJFYZHZGI-NSHDSACASA-N 1 2 332.429 2.160 20 30 EEEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000026333542 463158178 /nfs/dbraw/zinc/15/81/78/463158178.db2.gz SOMWMCSHWFOMMB-SNVBAGLBSA-N 1 2 342.226 2.002 20 30 EEEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000026333542 463158185 /nfs/dbraw/zinc/15/81/85/463158185.db2.gz SOMWMCSHWFOMMB-SNVBAGLBSA-N 1 2 342.226 2.002 20 30 EEEDLO C=CCOCCCC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000079542222 463226076 /nfs/dbraw/zinc/22/60/76/463226076.db2.gz AVKGLWFOYZYNKP-IBGZPJMESA-N 1 2 346.471 2.467 20 30 EEEDLO Cc1ccc(OC[C@@H](O)C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000158567492 463241437 /nfs/dbraw/zinc/24/14/37/463241437.db2.gz OZKJHUACVGFPAH-KRWDZBQOSA-N 1 2 338.407 2.370 20 30 EEEDLO COc1ccccc1C[N@H+](CC(=O)N(CCC#N)CCC#N)C1CC1 ZINC000054990325 463274418 /nfs/dbraw/zinc/27/44/18/463274418.db2.gz FMQSWYKTIFWGCB-UHFFFAOYSA-N 1 2 340.427 2.316 20 30 EEEDLO COc1ccccc1C[N@@H+](CC(=O)N(CCC#N)CCC#N)C1CC1 ZINC000054990325 463274423 /nfs/dbraw/zinc/27/44/23/463274423.db2.gz FMQSWYKTIFWGCB-UHFFFAOYSA-N 1 2 340.427 2.316 20 30 EEEDLO N#CC1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCCC1 ZINC000030229625 463290073 /nfs/dbraw/zinc/29/00/73/463290073.db2.gz VTUFBYBWXZMPRS-KRWDZBQOSA-N 1 2 327.428 2.260 20 30 EEEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000080842162 463361677 /nfs/dbraw/zinc/36/16/77/463361677.db2.gz XFEWXRMPCXXQRU-ZWKOTPCHSA-N 1 2 332.407 2.406 20 30 EEEDLO N#CC1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000057382897 463483878 /nfs/dbraw/zinc/48/38/78/463483878.db2.gz DJZLFVVWOLHYPN-SFHVURJKSA-N 1 2 341.455 2.478 20 30 EEEDLO N#CC1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000057382897 463483885 /nfs/dbraw/zinc/48/38/85/463483885.db2.gz DJZLFVVWOLHYPN-SFHVURJKSA-N 1 2 341.455 2.478 20 30 EEEDLO N#CC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000057382895 463484106 /nfs/dbraw/zinc/48/41/06/463484106.db2.gz DJZLFVVWOLHYPN-GOSISDBHSA-N 1 2 341.455 2.478 20 30 EEEDLO N#CC1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000057382895 463484111 /nfs/dbraw/zinc/48/41/11/463484111.db2.gz DJZLFVVWOLHYPN-GOSISDBHSA-N 1 2 341.455 2.478 20 30 EEEDLO CCOc1ccc2c(c1)C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC2 ZINC000058209339 463552252 /nfs/dbraw/zinc/55/22/52/463552252.db2.gz SPLKXKYKQVKXRD-UHFFFAOYSA-N 1 2 340.427 2.099 20 30 EEEDLO CCOc1ccc2c(c1)C[N@H+](CC(=O)N(CCC#N)CCC#N)CC2 ZINC000058209339 463552254 /nfs/dbraw/zinc/55/22/54/463552254.db2.gz SPLKXKYKQVKXRD-UHFFFAOYSA-N 1 2 340.427 2.099 20 30 EEEDLO C[C@H](C(=O)Nc1ncccc1OCCCC#N)[NH+]1CCSCC1 ZINC000152024812 463631774 /nfs/dbraw/zinc/63/17/74/463631774.db2.gz IURDXCPJVMDBFC-CYBMUJFWSA-N 1 2 334.445 2.140 20 30 EEEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000287143653 463813895 /nfs/dbraw/zinc/81/38/95/463813895.db2.gz 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ZINC000288548576 464049175 /nfs/dbraw/zinc/04/91/75/464049175.db2.gz AMLYXWZJHRUIQE-UHFFFAOYSA-N 1 2 340.427 2.316 20 30 EEEDLO CC1(C)C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc2ccccc2O1 ZINC000288548576 464049178 /nfs/dbraw/zinc/04/91/78/464049178.db2.gz AMLYXWZJHRUIQE-UHFFFAOYSA-N 1 2 340.427 2.316 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000188252905 464236635 /nfs/dbraw/zinc/23/66/35/464236635.db2.gz WRIHJBODZNTBNA-HNAYVOBHSA-N 1 2 347.459 2.152 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1=O ZINC000281199747 464368503 /nfs/dbraw/zinc/36/85/03/464368503.db2.gz CIQHXQZVYYYDAM-VBQJREDUSA-N 1 2 347.434 2.110 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1=O ZINC000281199747 464368512 /nfs/dbraw/zinc/36/85/12/464368512.db2.gz CIQHXQZVYYYDAM-VBQJREDUSA-N 1 2 347.434 2.110 20 30 EEEDLO Cc1ccccc1CCNC(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000174220218 464379345 /nfs/dbraw/zinc/37/93/45/464379345.db2.gz 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ZINC000293263167 464396501 /nfs/dbraw/zinc/39/65/01/464396501.db2.gz MVIOZJKXFDDNEZ-UHFFFAOYSA-N 1 2 339.443 2.284 20 30 EEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000352033877 465469926 /nfs/dbraw/zinc/46/99/26/465469926.db2.gz WPXHJHLNZZEBBY-ICSRJNTNSA-N 1 2 333.391 2.216 20 30 EEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000352033877 465469930 /nfs/dbraw/zinc/46/99/30/465469930.db2.gz WPXHJHLNZZEBBY-ICSRJNTNSA-N 1 2 333.391 2.216 20 30 EEEDLO N#CCNC(=O)C[NH+]1CCC(c2ccccc2Br)CC1 ZINC000189810131 464551886 /nfs/dbraw/zinc/55/18/86/464551886.db2.gz PLXAMYCSPIWPPT-UHFFFAOYSA-N 1 2 336.233 2.268 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246168230 464553838 /nfs/dbraw/zinc/55/38/38/464553838.db2.gz VDCTVVQQEUFOQD-TZMCWYRMSA-N 1 2 343.349 2.177 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246168230 464553840 /nfs/dbraw/zinc/55/38/40/464553840.db2.gz VDCTVVQQEUFOQD-TZMCWYRMSA-N 1 2 343.349 2.177 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000547445109 468412094 /nfs/dbraw/zinc/41/20/94/468412094.db2.gz ZDNLISBIGJXCII-OALUTQOASA-N 1 2 349.471 2.281 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000547445109 468412098 /nfs/dbraw/zinc/41/20/98/468412098.db2.gz ZDNLISBIGJXCII-OALUTQOASA-N 1 2 349.471 2.281 20 30 EEEDLO C[C@](O)(C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1)C(F)(F)F ZINC000281894904 464625661 /nfs/dbraw/zinc/62/56/61/464625661.db2.gz OXLCJQNVTGYUON-CABCVRRESA-N 1 2 327.350 2.182 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)C1=O ZINC000282122678 464704611 /nfs/dbraw/zinc/70/46/11/464704611.db2.gz XXFHMISRJXYSLH-INIZCTEOSA-N 1 2 329.444 2.269 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)C1=O ZINC000282122678 464704614 /nfs/dbraw/zinc/70/46/14/464704614.db2.gz XXFHMISRJXYSLH-INIZCTEOSA-N 1 2 329.444 2.269 20 30 EEEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)C1 ZINC000266815740 464831632 /nfs/dbraw/zinc/83/16/32/464831632.db2.gz GXNOHYWUIHXXBH-NEPJUHHUSA-N 1 2 328.199 2.005 20 30 EEEDLO C[N@H+]1CCO[C@H](C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)C1 ZINC000266815740 464831638 /nfs/dbraw/zinc/83/16/38/464831638.db2.gz GXNOHYWUIHXXBH-NEPJUHHUSA-N 1 2 328.199 2.005 20 30 EEEDLO CC(C)(CC#N)CS(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000295673492 464924327 /nfs/dbraw/zinc/92/43/27/464924327.db2.gz BNNZJHZIYGNQTE-UHFFFAOYSA-N 1 2 336.461 2.041 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(F)c1F ZINC000267478259 464934201 /nfs/dbraw/zinc/93/42/01/464934201.db2.gz XMRBBCVIPNGCDA-UHFFFAOYSA-N 1 2 338.358 2.045 20 30 EEEDLO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2nnc3ccccn32)c(C#N)c1C ZINC000192785647 464996108 /nfs/dbraw/zinc/99/61/08/464996108.db2.gz FRYVBPPOCIOZKM-NSHDSACASA-N 1 2 338.371 2.100 20 30 EEEDLO C[C@H](c1nccs1)N1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000184603111 465006595 /nfs/dbraw/zinc/00/65/95/465006595.db2.gz SGLBNRYBWVGZRP-PBHICJAKSA-N 1 2 342.468 2.427 20 30 EEEDLO CCN1CCOC[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329409326 465324703 /nfs/dbraw/zinc/32/47/03/465324703.db2.gz XSIWCYUUUHXMHF-ZIAGYGMSSA-N 1 2 334.464 2.173 20 30 EEEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1 ZINC000329571678 465375273 /nfs/dbraw/zinc/37/52/73/465375273.db2.gz QULAWESUAUHYOX-CWRNSKLLSA-N 1 2 326.400 2.335 20 30 EEEDLO C[C@]1(C[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)OCCc2sccc21 ZINC000329634087 465393075 /nfs/dbraw/zinc/39/30/75/465393075.db2.gz WZMGINKRYCBJCQ-YVEFUNNKSA-N 1 2 346.456 2.251 20 30 EEEDLO C[C@]1(CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)OCCc2sccc21 ZINC000329634087 465393082 /nfs/dbraw/zinc/39/30/82/465393082.db2.gz WZMGINKRYCBJCQ-YVEFUNNKSA-N 1 2 346.456 2.251 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000342941548 465403494 /nfs/dbraw/zinc/40/34/94/465403494.db2.gz YICFZRJAUZPSLN-AWEZNQCLSA-N 1 2 328.416 2.120 20 30 EEEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000329747923 465422286 /nfs/dbraw/zinc/42/22/86/465422286.db2.gz SREOHYNFAVGKJQ-CZUORRHYSA-N 1 2 339.399 2.194 20 30 EEEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000329747923 465422296 /nfs/dbraw/zinc/42/22/96/465422296.db2.gz SREOHYNFAVGKJQ-CZUORRHYSA-N 1 2 339.399 2.194 20 30 EEEDLO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)[C@@H]1COCCO1 ZINC000329980292 465495539 /nfs/dbraw/zinc/49/55/39/465495539.db2.gz LBENHGAHBJYMLT-OBJOEFQTSA-N 1 2 328.409 2.032 20 30 EEEDLO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)[C@@H]1COCCO1 ZINC000329980292 465495544 /nfs/dbraw/zinc/49/55/44/465495544.db2.gz LBENHGAHBJYMLT-OBJOEFQTSA-N 1 2 328.409 2.032 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)CC2CCOCC2)cn1 ZINC000329983163 465496695 /nfs/dbraw/zinc/49/66/95/465496695.db2.gz PJWCXPSGFYOKEX-HOTGVXAUSA-N 1 2 338.427 2.106 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)CC2CCOCC2)cn1 ZINC000329983163 465496701 /nfs/dbraw/zinc/49/67/01/465496701.db2.gz PJWCXPSGFYOKEX-HOTGVXAUSA-N 1 2 338.427 2.106 20 30 EEEDLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC000348324184 465549986 /nfs/dbraw/zinc/54/99/86/465549986.db2.gz REPKUXOVVSLMMJ-MRXNPFEDSA-N 1 2 325.416 2.394 20 30 EEEDLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC000348324184 465549992 /nfs/dbraw/zinc/54/99/92/465549992.db2.gz REPKUXOVVSLMMJ-MRXNPFEDSA-N 1 2 325.416 2.394 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1cnn(C(C)C)c1 ZINC000352905617 465567597 /nfs/dbraw/zinc/56/75/97/465567597.db2.gz YXABBBPPZYHNEN-IAGOWNOFSA-N 1 2 348.491 2.478 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1cnn(C(C)C)c1 ZINC000352905617 465567600 /nfs/dbraw/zinc/56/76/00/465567600.db2.gz YXABBBPPZYHNEN-IAGOWNOFSA-N 1 2 348.491 2.478 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)Nc1cc(C)on1)Cc1cnn(C(C)C)c1 ZINC000352916396 465569324 /nfs/dbraw/zinc/56/93/24/465569324.db2.gz SFPABBWDPWZILO-UHFFFAOYSA-N 1 2 331.420 2.777 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)Nc1cc(C)on1)Cc1cnn(C(C)C)c1 ZINC000352916396 465569327 /nfs/dbraw/zinc/56/93/27/465569327.db2.gz SFPABBWDPWZILO-UHFFFAOYSA-N 1 2 331.420 2.777 20 30 EEEDLO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330322526 465612080 /nfs/dbraw/zinc/61/20/80/465612080.db2.gz SNWFJJLPWITZGH-KKUMJFAQSA-N 1 2 332.448 2.439 20 30 EEEDLO CC(C)c1nc([C@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)no1 ZINC000330499370 465683802 /nfs/dbraw/zinc/68/38/02/465683802.db2.gz HXNRCQLUPWFQGF-KGLIPLIRSA-N 1 2 333.436 2.133 20 30 EEEDLO CC(C)c1nc([C@H]2CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2)no1 ZINC000330499370 465683810 /nfs/dbraw/zinc/68/38/10/465683810.db2.gz HXNRCQLUPWFQGF-KGLIPLIRSA-N 1 2 333.436 2.133 20 30 EEEDLO Cc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366371960 465685392 /nfs/dbraw/zinc/68/53/92/465685392.db2.gz BRJIJRWKJVUPFG-MRXNPFEDSA-N 1 2 336.395 2.354 20 30 EEEDLO Cc1ccccc1NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366371960 465685400 /nfs/dbraw/zinc/68/54/00/465685400.db2.gz BRJIJRWKJVUPFG-MRXNPFEDSA-N 1 2 336.395 2.354 20 30 EEEDLO COCC1(C#N)CCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000357091413 465765345 /nfs/dbraw/zinc/76/53/45/465765345.db2.gz GEKVPPWDLCCNJB-AWEZNQCLSA-N 1 2 344.459 2.417 20 30 EEEDLO COCC1(C#N)CCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000357091413 465765349 /nfs/dbraw/zinc/76/53/49/465765349.db2.gz GEKVPPWDLCCNJB-AWEZNQCLSA-N 1 2 344.459 2.417 20 30 EEEDLO CC[C@H]1C[N@H+](CCNC(=O)C[C@H](CC#N)c2ccccc2)CCO1 ZINC000357108229 465778683 /nfs/dbraw/zinc/77/86/83/465778683.db2.gz MIRMECYPBBNTJG-ROUUACIJSA-N 1 2 329.444 2.301 20 30 EEEDLO CC[C@H]1C[N@@H+](CCNC(=O)C[C@H](CC#N)c2ccccc2)CCO1 ZINC000357108229 465778692 /nfs/dbraw/zinc/77/86/92/465778692.db2.gz MIRMECYPBBNTJG-ROUUACIJSA-N 1 2 329.444 2.301 20 30 EEEDLO C=C1CCN(C(=O)[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2c[nH+]cn2C)CC1 ZINC000344747564 465785603 /nfs/dbraw/zinc/78/56/03/465785603.db2.gz NGBNGZZHHCSTPL-YJBOKZPZSA-N 1 2 342.443 2.041 20 30 EEEDLO CCc1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)c(C#N)c1CC ZINC000301614966 465996665 /nfs/dbraw/zinc/99/66/65/465996665.db2.gz IMLRYLRTWVMCPG-UHFFFAOYSA-N 1 2 340.431 2.092 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000362808595 466044296 /nfs/dbraw/zinc/04/42/96/466044296.db2.gz LEFGDMOQOFRDMQ-RBUKOAKNSA-N 1 2 344.455 2.191 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000346356878 466088628 /nfs/dbraw/zinc/08/86/28/466088628.db2.gz MGGOEWUGHJAYOC-FXAWDEMLSA-N 1 2 346.471 2.063 20 30 EEEDLO Cc1onc(CC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)c1C#N ZINC000353876300 466223784 /nfs/dbraw/zinc/22/37/84/466223784.db2.gz YFXHHFXUNKPAEY-OAHLLOKOSA-N 1 2 348.353 2.095 20 30 EEEDLO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000331800313 466249545 /nfs/dbraw/zinc/24/95/45/466249545.db2.gz SCJIHSJWQUPQST-OLZOCXBDSA-N 1 2 326.400 2.032 20 30 EEEDLO Cc1ccc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(Cl)c1 ZINC000354432083 466564686 /nfs/dbraw/zinc/56/46/86/466564686.db2.gz IVYUVXMZNMOMLU-UHFFFAOYSA-N 1 2 349.862 2.265 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000368203910 466587169 /nfs/dbraw/zinc/58/71/69/466587169.db2.gz LVLXNGKIVLTHDP-UHFFFAOYSA-N 1 2 339.464 2.448 20 30 EEEDLO COC[C@@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccco1 ZINC000411513130 466839453 /nfs/dbraw/zinc/83/94/53/466839453.db2.gz OCPYSQFRDQOODA-JKSUJKDBSA-N 1 2 325.368 2.234 20 30 EEEDLO C#CCOc1ccc(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000370355234 466847016 /nfs/dbraw/zinc/84/70/16/466847016.db2.gz MAQLGKXJEDEJSX-QGZVFWFLSA-N 1 2 327.405 2.317 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000376910509 466963535 /nfs/dbraw/zinc/96/35/35/466963535.db2.gz IAZKUDOBDVYPJY-UHFFFAOYSA-N 1 2 344.440 2.220 20 30 EEEDLO C=CCCn1cc(C(=O)NCCCn2c(C)[nH+]c3ccccc32)nn1 ZINC000424585525 467070993 /nfs/dbraw/zinc/07/09/93/467070993.db2.gz QDEQODRBULOWEQ-UHFFFAOYSA-N 1 2 338.415 2.332 20 30 EEEDLO Cc1cc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)nn1CCC#N ZINC000378522270 467330848 /nfs/dbraw/zinc/33/08/48/467330848.db2.gz XASFPBHICNZVTC-CYBMUJFWSA-N 1 2 327.392 2.587 20 30 EEEDLO C=C(C)CS(=O)(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000435433343 467469062 /nfs/dbraw/zinc/46/90/62/467469062.db2.gz RLGRKKUOFANOAC-UHFFFAOYSA-N 1 2 338.473 2.109 20 30 EEEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@H]1C ZINC000408316516 467543517 /nfs/dbraw/zinc/54/35/17/467543517.db2.gz QXPGEPWVOKNAMJ-RYUDHWBXSA-N 1 2 341.864 2.315 20 30 EEEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@H]1C ZINC000408316516 467543518 /nfs/dbraw/zinc/54/35/18/467543518.db2.gz QXPGEPWVOKNAMJ-RYUDHWBXSA-N 1 2 341.864 2.315 20 30 EEEDLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@]3(C#N)C[C@@H]3C)CC2)cc1 ZINC000448622455 467596490 /nfs/dbraw/zinc/59/64/90/467596490.db2.gz NYPRAEKADIYKJY-KXBFYZLASA-N 1 2 327.428 2.279 20 30 EEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000528509596 467691915 /nfs/dbraw/zinc/69/19/15/467691915.db2.gz UJGBZTCEOPDNDH-GOSISDBHSA-N 1 2 348.406 2.236 20 30 EEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000528509596 467691921 /nfs/dbraw/zinc/69/19/21/467691921.db2.gz UJGBZTCEOPDNDH-GOSISDBHSA-N 1 2 348.406 2.236 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)C1=O ZINC000493052754 467829055 /nfs/dbraw/zinc/82/90/55/467829055.db2.gz NUYPHKGNLNQSNP-KKUMJFAQSA-N 1 2 337.464 2.103 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)C1=O ZINC000493052754 467829060 /nfs/dbraw/zinc/82/90/60/467829060.db2.gz NUYPHKGNLNQSNP-KKUMJFAQSA-N 1 2 337.464 2.103 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)/C=C/c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000493349328 467891797 /nfs/dbraw/zinc/89/17/97/467891797.db2.gz GYGYBAHMZITIEB-GJBLVYBDSA-N 1 2 339.374 2.219 20 30 EEEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1c[nH+]ccc1OC ZINC000458818408 467904796 /nfs/dbraw/zinc/90/47/96/467904796.db2.gz YNDKVQNUJPSLGB-UHFFFAOYSA-N 1 2 345.399 2.463 20 30 EEEDLO Cc1ccc(Br)cc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000514856594 467959009 /nfs/dbraw/zinc/95/90/09/467959009.db2.gz PAXIUOSHWFRYJM-CYBMUJFWSA-N 1 2 326.238 2.376 20 30 EEEDLO Cc1ccc(Br)cc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000514856594 467959011 /nfs/dbraw/zinc/95/90/11/467959011.db2.gz PAXIUOSHWFRYJM-CYBMUJFWSA-N 1 2 326.238 2.376 20 30 EEEDLO NC(=[NH+]OC[C@H]1CNC(=O)O1)c1ccc(OCc2ccccc2)cc1 ZINC000495718542 468100991 /nfs/dbraw/zinc/10/09/91/468100991.db2.gz PEGIUYHZYPCPGG-MRXNPFEDSA-N 1 2 341.367 2.011 20 30 EEEDLO CN1CC[N@H+](C)[C@@H](CNc2c(C#N)cnc3c(Cl)cccc32)C1 ZINC000567750018 468202160 /nfs/dbraw/zinc/20/21/60/468202160.db2.gz DSUTZKNQTOMYLI-ZDUSSCGKSA-N 1 2 329.835 2.418 20 30 EEEDLO CN1CC[N@@H+](C)[C@@H](CNc2c(C#N)cnc3c(Cl)cccc32)C1 ZINC000567750018 468202163 /nfs/dbraw/zinc/20/21/63/468202163.db2.gz DSUTZKNQTOMYLI-ZDUSSCGKSA-N 1 2 329.835 2.418 20 30 EEEDLO Cc1noc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)n1 ZINC000556884982 468596568 /nfs/dbraw/zinc/59/65/68/468596568.db2.gz JLRQEPPDNFFKDM-LBPRGKRZSA-N 1 2 331.401 2.477 20 30 EEEDLO Cc1noc([C@@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C#N)n1 ZINC000556884982 468596574 /nfs/dbraw/zinc/59/65/74/468596574.db2.gz JLRQEPPDNFFKDM-LBPRGKRZSA-N 1 2 331.401 2.477 20 30 EEEDLO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149615 468640407 /nfs/dbraw/zinc/64/04/07/468640407.db2.gz SCYGDJGMUWEZSK-QFYYESIMSA-N 1 2 348.403 2.113 20 30 EEEDLO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149615 468640412 /nfs/dbraw/zinc/64/04/12/468640412.db2.gz SCYGDJGMUWEZSK-QFYYESIMSA-N 1 2 348.403 2.113 20 30 EEEDLO C[C@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)CC2(CCCC2)O1 ZINC000592186746 468649502 /nfs/dbraw/zinc/64/95/02/468649502.db2.gz FNNDYTXIPHLIHR-HNNXBMFYSA-N 1 2 327.428 2.208 20 30 EEEDLO C[C@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)CC2(CCCC2)O1 ZINC000592186746 468649504 /nfs/dbraw/zinc/64/95/04/468649504.db2.gz FNNDYTXIPHLIHR-HNNXBMFYSA-N 1 2 327.428 2.208 20 30 EEEDLO Cc1cc(Br)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)s1 ZINC000570727926 468683887 /nfs/dbraw/zinc/68/38/87/468683887.db2.gz VVUZQCZYKBCVHE-LBPRGKRZSA-N 1 2 330.251 2.393 20 30 EEEDLO Cn1c[nH+]cc1CC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000558527639 468686041 /nfs/dbraw/zinc/68/60/41/468686041.db2.gz DXYLGACPLVITJV-UHFFFAOYSA-N 1 2 338.411 2.341 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)CC1(C#N)CCCCC1)C(C)(C)CO ZINC000597848142 468692459 /nfs/dbraw/zinc/69/24/59/468692459.db2.gz UULPUVHFEXXBEU-HNNXBMFYSA-N 1 2 332.448 2.460 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)c1 ZINC000595291001 468801419 /nfs/dbraw/zinc/80/14/19/468801419.db2.gz PHJBNZRLXSPEFK-UHFFFAOYSA-N 1 2 341.346 2.323 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1C#N ZINC000598260995 468810171 /nfs/dbraw/zinc/81/01/71/468810171.db2.gz CAVYWQWPUMOJKH-LBPRGKRZSA-N 1 2 348.472 2.231 20 30 EEEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000595609543 468920479 /nfs/dbraw/zinc/92/04/79/468920479.db2.gz MCGXGUQPLMMETI-HNNXBMFYSA-N 1 2 340.427 2.378 20 30 EEEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000595609543 468920483 /nfs/dbraw/zinc/92/04/83/468920483.db2.gz MCGXGUQPLMMETI-HNNXBMFYSA-N 1 2 340.427 2.378 20 30 EEEDLO C=CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)COC ZINC000595638966 468933816 /nfs/dbraw/zinc/93/38/16/468933816.db2.gz PZRMCQMXRAFRBF-ZDUSSCGKSA-N 1 2 333.388 2.007 20 30 EEEDLO C=CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)COC ZINC000595638966 468933819 /nfs/dbraw/zinc/93/38/19/468933819.db2.gz PZRMCQMXRAFRBF-ZDUSSCGKSA-N 1 2 333.388 2.007 20 30 EEEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NC[C@@H](C)C#N)[C@@H](C)C1 ZINC000584818529 468941612 /nfs/dbraw/zinc/94/16/12/468941612.db2.gz YCOFCAKFTZSODK-HOTGVXAUSA-N 1 2 344.459 2.461 20 30 EEEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NC[C@@H](C)C#N)[C@@H](C)C1 ZINC000584818529 468941616 /nfs/dbraw/zinc/94/16/16/468941616.db2.gz YCOFCAKFTZSODK-HOTGVXAUSA-N 1 2 344.459 2.461 20 30 EEEDLO N#Cc1ccc(CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000595691996 468957074 /nfs/dbraw/zinc/95/70/74/468957074.db2.gz JGLDSXRDCFVBGB-GOSISDBHSA-N 1 2 336.395 2.359 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614668583 469014050 /nfs/dbraw/zinc/01/40/50/469014050.db2.gz GXIAYBGSCVYYBA-CVEARBPZSA-N 1 2 335.473 2.198 20 30 EEEDLO N#Cc1csc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000601850777 469058050 /nfs/dbraw/zinc/05/80/50/469058050.db2.gz GDBWFKJONXDTSD-UHFFFAOYSA-N 1 2 344.465 2.498 20 30 EEEDLO CC(C)[C@@H](NC(=O)C[NH2+][C@@H](C)CC#N)c1ccc2c(c1)OCCO2 ZINC000602861060 469125812 /nfs/dbraw/zinc/12/58/12/469125812.db2.gz FFDFLAKJBMNRKY-SCLBCKFNSA-N 1 2 331.416 2.163 20 30 EEEDLO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](C)CC#N)c(C(F)(F)F)c1 ZINC000602871221 469131450 /nfs/dbraw/zinc/13/14/50/469131450.db2.gz ZMMZLBKPIJEZSP-VIFPVBQESA-N 1 2 342.321 2.494 20 30 EEEDLO Cc1cc(C#N)ccc1CN1CCc2[nH+]c[nH]c2[C@H]1c1ccnn1C ZINC000599445093 469260963 /nfs/dbraw/zinc/26/09/63/469260963.db2.gz PSASNVWSWOFEJV-LJQANCHMSA-N 1 2 332.411 2.471 20 30 EEEDLO C[NH+]1CCC(C#N)(NC(=O)c2cccc(C(F)(F)F)c2O)CC1 ZINC000565179534 469268729 /nfs/dbraw/zinc/26/87/29/469268729.db2.gz IIQNLXPBXAZIFG-UHFFFAOYSA-N 1 2 327.306 2.129 20 30 EEEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000611553204 469277392 /nfs/dbraw/zinc/27/73/92/469277392.db2.gz TUYCOFQJHXWMKQ-SFHVURJKSA-N 1 2 344.434 2.020 20 30 EEEDLO C[C@@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCO1 ZINC000596658957 469324456 /nfs/dbraw/zinc/32/44/56/469324456.db2.gz QBJHIQZKXQLJSD-LPHOPBHVSA-N 1 2 341.455 2.408 20 30 EEEDLO CO[C@@H]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000596657540 469324793 /nfs/dbraw/zinc/32/47/93/469324793.db2.gz RUQXJZAVUVOFFE-QZTJIDSGSA-N 1 2 327.428 2.018 20 30 EEEDLO N#Cc1nccc(N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)n1 ZINC000603418582 469389275 /nfs/dbraw/zinc/38/92/75/469389275.db2.gz GUKKIGWMCODGAF-UHFFFAOYSA-N 1 2 334.305 2.089 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798042 469390670 /nfs/dbraw/zinc/39/06/70/469390670.db2.gz BKBGJWLPCPTKFW-LIRRHRJNSA-N 1 2 328.412 2.177 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798042 469390676 /nfs/dbraw/zinc/39/06/76/469390676.db2.gz BKBGJWLPCPTKFW-LIRRHRJNSA-N 1 2 328.412 2.177 20 30 EEEDLO N#Cc1ccc(NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)cc1F ZINC000596911358 469405502 /nfs/dbraw/zinc/40/55/02/469405502.db2.gz OUUYYWBMSKNCBJ-UHFFFAOYSA-N 1 2 346.406 2.273 20 30 EEEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000604538815 469489094 /nfs/dbraw/zinc/48/90/94/469489094.db2.gz RAKSRTYCNTZDRA-INIZCTEOSA-N 1 2 346.431 2.089 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623303980 469618388 /nfs/dbraw/zinc/61/83/88/469618388.db2.gz OKYDIUYOTKNWAA-ZDUSSCGKSA-N 1 2 327.384 2.201 20 30 EEEDLO C=CCN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)[C@H](C)COC ZINC000617578389 469732854 /nfs/dbraw/zinc/73/28/54/469732854.db2.gz IVDVEOOHHUYVKH-MRXNPFEDSA-N 1 2 332.444 2.182 20 30 EEEDLO COc1cc(C)nc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)n1 ZINC000609273651 469911398 /nfs/dbraw/zinc/91/13/98/469911398.db2.gz WSUNRDMIQMXAKR-UHFFFAOYSA-N 1 2 341.390 2.127 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000609486721 469932971 /nfs/dbraw/zinc/93/29/71/469932971.db2.gz PUFOUIFVKZBFEY-VQIMIIECSA-N 1 2 340.471 2.130 20 30 EEEDLO C=C1CC(C)(C(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000631280564 470109569 /nfs/dbraw/zinc/10/95/69/470109569.db2.gz QQHBZPUFWCKOAK-UHFFFAOYSA-N 1 2 347.503 2.183 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nnc(-c3ccc(C)cc3)o2)nn1 ZINC000640861826 471075281 /nfs/dbraw/zinc/07/52/81/471075281.db2.gz IRIAZZQUZLGIKR-CQSZACIVSA-N 1 2 336.399 2.359 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nc(-c3cccs3)no2)nn1 ZINC000640948159 471133097 /nfs/dbraw/zinc/13/30/97/471133097.db2.gz POLQCLDVFNPWIO-NSHDSACASA-N 1 2 328.401 2.112 20 30 EEEDLO C=C[C@@](C)(O)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000668574188 472179420 /nfs/dbraw/zinc/17/94/20/472179420.db2.gz RXSBOULRTRRGHJ-WMLDXEAASA-N 1 2 340.826 2.497 20 30 EEEDLO C=C[C@@](C)(O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000668574188 472179426 /nfs/dbraw/zinc/17/94/26/472179426.db2.gz RXSBOULRTRRGHJ-WMLDXEAASA-N 1 2 340.826 2.497 20 30 EEEDLO C=C(C)CN(C)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000679229399 485626665 /nfs/dbraw/zinc/62/66/65/485626665.db2.gz YFRHAPHOIPKISZ-UHFFFAOYSA-N 1 2 330.432 2.114 20 30 EEEDLO CCCCNC(=O)C[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000676506489 486244687 /nfs/dbraw/zinc/24/46/87/486244687.db2.gz IGAVYJZXPQGOGD-UHFFFAOYSA-N 1 2 347.890 2.225 20 30 EEEDLO C#CC[NH+](CC#C)CC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000174051691 526845904 /nfs/dbraw/zinc/84/59/04/526845904.db2.gz IUHOZUWUDDITNK-UHFFFAOYSA-N 1 2 326.293 2.029 20 30 EEEDLO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191776653 526901376 /nfs/dbraw/zinc/90/13/76/526901376.db2.gz BNSKJALMCMTVDI-AWEZNQCLSA-N 1 2 336.233 2.421 20 30 EEEDLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191776653 526901380 /nfs/dbraw/zinc/90/13/80/526901380.db2.gz BNSKJALMCMTVDI-AWEZNQCLSA-N 1 2 336.233 2.421 20 30 EEEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(-n2cnnn2)cc1 ZINC000730147923 576720639 /nfs/dbraw/zinc/72/06/39/576720639.db2.gz KWKZOSCTMXGXEF-UHFFFAOYSA-N 1 2 329.367 2.469 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000732070464 577145640 /nfs/dbraw/zinc/14/56/40/577145640.db2.gz TVZRYFBPIVZEFB-AWEZNQCLSA-N 1 2 344.415 2.465 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000732070464 577145642 /nfs/dbraw/zinc/14/56/42/577145642.db2.gz TVZRYFBPIVZEFB-AWEZNQCLSA-N 1 2 344.415 2.465 20 30 EEEDLO Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccnc(-n4cc[nH+]c4)c3)nc21 ZINC000774107240 577383858 /nfs/dbraw/zinc/38/38/58/577383858.db2.gz WWBYFGVWHJGHRR-CYBMUJFWSA-N 1 2 343.350 2.337 20 30 EEEDLO Cc1ccc(CCC=NN=C2NS(=O)(=O)c3ccccc32)c[nH+]1 ZINC000774369032 577396985 /nfs/dbraw/zinc/39/69/85/577396985.db2.gz JKYMAPRXYIHEJN-UHFFFAOYSA-N 1 2 328.397 2.047 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(O)(c3ccccc3)CC2)cc1 ZINC000767856705 577546489 /nfs/dbraw/zinc/54/64/89/577546489.db2.gz AHARHKRVQMNGFW-GOSISDBHSA-N 1 2 335.407 2.068 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)O[C@H](Cc2ccccc2F)C(C)=O)CC1 ZINC000768694010 577560996 /nfs/dbraw/zinc/56/09/96/577560996.db2.gz YCPOOTAOJVJCHF-GOSISDBHSA-N 1 2 331.387 2.214 20 30 EEEDLO c1csc(N2CCC(N=Nc3ccc(-n4cc[nH+]c4)nn3)CC2)n1 ZINC000761833365 577689751 /nfs/dbraw/zinc/68/97/51/577689751.db2.gz BPARPQDLCUBYRH-UHFFFAOYSA-N 1 2 340.416 2.187 20 30 EEEDLO COc1cc(F)ccc1N[NH+]=Cc1c(C)nn(C)c1N1CCOCC1 ZINC000761885595 577690996 /nfs/dbraw/zinc/69/09/96/577690996.db2.gz VMEJNXNQOOVYLC-UHFFFAOYSA-N 1 2 347.394 2.159 20 30 EEEDLO C[C@@H](C#N)Oc1ccc(CNc2ccc(N(C)CCO)c[nH+]2)cc1 ZINC000763485464 577721851 /nfs/dbraw/zinc/72/18/51/577721851.db2.gz JJZBEEBFZGTXCY-AWEZNQCLSA-N 1 2 326.400 2.413 20 30 EEEDLO CC(C)c1[nH+]c(C=NNC(=S)NC[C@@H]2CCCO2)c2ccccn21 ZINC000755521043 577826110 /nfs/dbraw/zinc/82/61/10/577826110.db2.gz MHZIKAYTVOHNEX-ZDUSSCGKSA-N 1 2 345.472 2.435 20 30 EEEDLO COCCCNC(=S)NN=Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000755524238 577826247 /nfs/dbraw/zinc/82/62/47/577826247.db2.gz MFWNUXJGNZBRCC-UHFFFAOYSA-N 1 2 333.461 2.292 20 30 EEEDLO Cc1cccn2c(C=NN3C(=O)N[C@](C)(c4ccccc4)C3=O)c[nH+]c12 ZINC000755543881 577826622 /nfs/dbraw/zinc/82/66/22/577826622.db2.gz VFDSJLIQFDHGGR-LJQANCHMSA-N 1 2 347.378 2.444 20 30 EEEDLO C=CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000750503488 577993378 /nfs/dbraw/zinc/99/33/78/577993378.db2.gz LHPGPQWPPMUVSG-CZUORRHYSA-N 1 2 334.391 2.024 20 30 EEEDLO C=CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000750503488 577993379 /nfs/dbraw/zinc/99/33/79/577993379.db2.gz LHPGPQWPPMUVSG-CZUORRHYSA-N 1 2 334.391 2.024 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000741729241 578123155 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CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccccc3F)C2)C1 ZINC000972601816 679407692 /nfs/dbraw/zinc/40/76/92/679407692.db2.gz KRJFLTNDKXQAQN-UZLBHIALSA-N 1 2 344.430 2.256 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccccc3F)C2)C1 ZINC000972601816 679407693 /nfs/dbraw/zinc/40/76/93/679407693.db2.gz KRJFLTNDKXQAQN-UZLBHIALSA-N 1 2 344.430 2.256 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccc(C)cc3)C2)C1 ZINC000972644490 679496482 /nfs/dbraw/zinc/49/64/82/679496482.db2.gz XWVFJHHFKSJUNH-RXVVDRJESA-N 1 2 340.467 2.425 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccc(C)cc3)C2)C1 ZINC000972644490 679496484 /nfs/dbraw/zinc/49/64/84/679496484.db2.gz XWVFJHHFKSJUNH-RXVVDRJESA-N 1 2 340.467 2.425 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)c3ccccc3)C2)C1 ZINC000972666492 679545233 /nfs/dbraw/zinc/54/52/33/679545233.db2.gz FCSHZQGATPBGSX-HXUWFJFHSA-N 1 2 328.456 2.454 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)c3ccccc3)C2)C1 ZINC000972666492 679545237 /nfs/dbraw/zinc/54/52/37/679545237.db2.gz FCSHZQGATPBGSX-HXUWFJFHSA-N 1 2 328.456 2.454 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)c1ccon1 ZINC000972827734 679807697 /nfs/dbraw/zinc/80/76/97/679807697.db2.gz TVOMJZDJBZFBKM-INIZCTEOSA-N 1 2 342.374 2.326 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)c1ccon1 ZINC000972827734 679807698 /nfs/dbraw/zinc/80/76/98/679807698.db2.gz TVOMJZDJBZFBKM-INIZCTEOSA-N 1 2 342.374 2.326 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)[nH]n1 ZINC001024342351 679877715 /nfs/dbraw/zinc/87/77/15/679877715.db2.gz RXNXFYLXWAQMMF-KRWDZBQOSA-N 1 2 337.427 2.374 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)[nH]n1 ZINC001024342351 679877716 /nfs/dbraw/zinc/87/77/16/679877716.db2.gz RXNXFYLXWAQMMF-KRWDZBQOSA-N 1 2 337.427 2.374 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccc3[nH]c(=O)[nH]c32)C(C)(C)C1 ZINC000974700052 685280537 /nfs/dbraw/zinc/28/05/37/685280537.db2.gz OKJNSJWVFTYVSB-CYBMUJFWSA-N 1 2 348.834 2.461 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EEEDLO C#Cc1cncc(C(=O)N2CCC[C@@H](CNc3cc[nH+]c(C)n3)C2)c1 ZINC001060085377 693741036 /nfs/dbraw/zinc/74/10/36/693741036.db2.gz BEWVJVFOJJTZBD-INIZCTEOSA-N 1 2 335.411 2.126 20 30 EEEDLO Cn1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)s2)c1 ZINC001029272216 683769867 /nfs/dbraw/zinc/76/98/67/683769867.db2.gz JJPHLGWEJPHEBE-GASCZTMLSA-N 1 2 340.452 2.447 20 30 EEEDLO Cn1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)s2)c1 ZINC001029272216 683769872 /nfs/dbraw/zinc/76/98/72/683769872.db2.gz JJPHLGWEJPHEBE-GASCZTMLSA-N 1 2 340.452 2.447 20 30 EEEDLO Cc1csc(C[N@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C)n1 ZINC000993171311 684036991 /nfs/dbraw/zinc/03/69/91/684036991.db2.gz ORJJDGJPUHCJGC-GXTWGEPZSA-N 1 2 343.456 2.434 20 30 EEEDLO Cc1csc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C)n1 ZINC000993171311 684036995 /nfs/dbraw/zinc/03/69/95/684036995.db2.gz ORJJDGJPUHCJGC-GXTWGEPZSA-N 1 2 343.456 2.434 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)N1CCCCC1 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ZINC001027522324 692617919 /nfs/dbraw/zinc/61/79/19/692617919.db2.gz WAYFCNFLWCEKIF-QGZVFWFLSA-N 1 2 345.491 2.323 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@@H]23)o1 ZINC000990165808 692710949 /nfs/dbraw/zinc/71/09/49/692710949.db2.gz YGIICAFFYSZIIB-CRAIPNDOSA-N 1 2 339.399 2.110 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@@H]23)o1 ZINC000990165808 692710953 /nfs/dbraw/zinc/71/09/53/692710953.db2.gz YGIICAFFYSZIIB-CRAIPNDOSA-N 1 2 339.399 2.110 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2nccs2)C1 ZINC001027583931 693266117 /nfs/dbraw/zinc/26/61/17/693266117.db2.gz DNNKCFLRXZRIPU-KFWWJZLASA-N 1 2 335.473 2.157 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nccs2)C1 ZINC001027583931 693266121 /nfs/dbraw/zinc/26/61/21/693266121.db2.gz DNNKCFLRXZRIPU-KFWWJZLASA-N 1 2 335.473 2.157 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001060073569 693467369 /nfs/dbraw/zinc/46/73/69/693467369.db2.gz 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N#CCCCN1C(=O)COCC12C[NH+](CCc1cccc(Cl)c1)C2 ZINC001272893461 1193593572 /nfs/dbraw/zinc/59/35/72/1193593572.db2.gz OMFVRUMAZMSLAF-UHFFFAOYSA-N 1 2 347.846 2.099 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001076684020 1189104498 /nfs/dbraw/zinc/10/44/98/1189104498.db2.gz VKZAPVNSIDTHPZ-NSHDSACASA-N 1 2 340.855 2.132 20 30 EEEDLO C#CCCCC(=O)N[C@@H](C)CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001076988179 1189269516 /nfs/dbraw/zinc/26/95/16/1189269516.db2.gz WWZUVRXUVPVQPH-IRXDYDNUSA-N 1 2 346.475 2.285 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H](C)CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001077170889 1189374141 /nfs/dbraw/zinc/37/41/41/1189374141.db2.gz GLTXSTKSHQWVHG-HNNXBMFYSA-N 1 2 332.448 2.031 20 30 EEEDLO C=CCC1(C(=O)NCC[C@H](C)NC(=O)CCc2[nH]cc[nH+]2)CCCC1 ZINC001077309150 1189460932 /nfs/dbraw/zinc/46/09/32/1189460932.db2.gz DIBHGHDEQXLHOU-HNNXBMFYSA-N 1 2 346.475 2.490 20 30 EEEDLO Cc1nc(N(C)[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001061180057 1194273214 /nfs/dbraw/zinc/27/32/14/1194273214.db2.gz ZFJBPWCNQSJKBO-UKRRQHHQSA-N 1 2 341.459 2.251 20 30 EEEDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1C#N ZINC001272990854 1194299107 /nfs/dbraw/zinc/29/91/07/1194299107.db2.gz OBKCSMHHASALDW-FSPWUOQZSA-N 1 2 325.412 2.101 20 30 EEEDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1C#N ZINC001272990854 1194299109 /nfs/dbraw/zinc/29/91/09/1194299109.db2.gz OBKCSMHHASALDW-FSPWUOQZSA-N 1 2 325.412 2.101 20 30 EEEDLO C#CCN1C[C@@]2(F)C[N@@H+](CC[C@@H](C)c3ccc(C)o3)C[C@@]2(F)C1=O ZINC001273124234 1194408086 /nfs/dbraw/zinc/40/80/86/1194408086.db2.gz IVBIIEVOEBZVGV-JEBQAFNWSA-N 1 2 336.382 2.289 20 30 EEEDLO C#CCN1C[C@@]2(F)C[N@H+](CC[C@@H](C)c3ccc(C)o3)C[C@@]2(F)C1=O ZINC001273124234 1194408088 /nfs/dbraw/zinc/40/80/88/1194408088.db2.gz IVBIIEVOEBZVGV-JEBQAFNWSA-N 1 2 336.382 2.289 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC001033435369 1194559032 /nfs/dbraw/zinc/55/90/32/1194559032.db2.gz 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C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001033625618 1194969880 /nfs/dbraw/zinc/96/98/80/1194969880.db2.gz WHCMSYKTBBCJDE-JSGCOSHPSA-N 1 2 336.867 2.364 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001033625618 1194969882 /nfs/dbraw/zinc/96/98/82/1194969882.db2.gz WHCMSYKTBBCJDE-JSGCOSHPSA-N 1 2 336.867 2.364 20 30 EEEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1CC[NH+](Cc2cscn2)CC1 ZINC001005260019 1195001829 /nfs/dbraw/zinc/00/18/29/1195001829.db2.gz MLPOEGVPLCTLGS-UHFFFAOYSA-N 1 2 329.429 2.079 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001033726593 1195138294 /nfs/dbraw/zinc/13/82/94/1195138294.db2.gz CNZWEPJLGBLULE-LLVKDONJSA-N 1 2 335.791 2.432 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001033726593 1195138296 /nfs/dbraw/zinc/13/82/96/1195138296.db2.gz CNZWEPJLGBLULE-LLVKDONJSA-N 1 2 335.791 2.432 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H](C)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001005301930 1195152001 /nfs/dbraw/zinc/15/20/01/1195152001.db2.gz GJHIVSMYVISWAL-RHSMWYFYSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2nccn2CC)C1 ZINC001273134079 1195177203 /nfs/dbraw/zinc/17/72/03/1195177203.db2.gz BMYXGLATWLJPHU-HOTGVXAUSA-N 1 2 328.460 2.435 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2nccn2CC)C1 ZINC001273134079 1195177206 /nfs/dbraw/zinc/17/72/06/1195177206.db2.gz BMYXGLATWLJPHU-HOTGVXAUSA-N 1 2 328.460 2.435 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001033854201 1195367754 /nfs/dbraw/zinc/36/77/54/1195367754.db2.gz PCXAYNSPUPFECR-HOCLYGCPSA-N 1 2 348.878 2.257 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001033854201 1195367758 /nfs/dbraw/zinc/36/77/58/1195367758.db2.gz PCXAYNSPUPFECR-HOCLYGCPSA-N 1 2 348.878 2.257 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnc(C)nc2OC)C1 ZINC001033850737 1195385299 /nfs/dbraw/zinc/38/52/99/1195385299.db2.gz DQYBAHAWOFUCCY-ZDUSSCGKSA-N 1 2 338.839 2.083 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnc(C)nc2OC)C1 ZINC001033850737 1195385302 /nfs/dbraw/zinc/38/53/02/1195385302.db2.gz DQYBAHAWOFUCCY-ZDUSSCGKSA-N 1 2 338.839 2.083 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC001108108208 1195430176 /nfs/dbraw/zinc/43/01/76/1195430176.db2.gz PTVSLUDTFQSEPJ-OAHLLOKOSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC001108108208 1195430178 /nfs/dbraw/zinc/43/01/78/1195430178.db2.gz PTVSLUDTFQSEPJ-OAHLLOKOSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC001108108273 1195448081 /nfs/dbraw/zinc/44/80/81/1195448081.db2.gz RRHKBTGPPRXJFD-HNNXBMFYSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC001108108273 1195448085 /nfs/dbraw/zinc/44/80/85/1195448085.db2.gz RRHKBTGPPRXJFD-HNNXBMFYSA-N 1 2 343.349 2.107 20 30 EEEDLO CCN(C(=O)c1ccncn1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033988638 1195603638 /nfs/dbraw/zinc/60/36/38/1195603638.db2.gz NYLPFFFERHVXGV-QGZVFWFLSA-N 1 2 335.411 2.085 20 30 EEEDLO CCN(C(=O)c1ccncn1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033988638 1195603642 /nfs/dbraw/zinc/60/36/42/1195603642.db2.gz NYLPFFFERHVXGV-QGZVFWFLSA-N 1 2 335.411 2.085 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cn(C3CCC3)nn2)C1 ZINC001034210586 1195949440 /nfs/dbraw/zinc/94/94/40/1195949440.db2.gz PXWBAPIVBRXRSY-ZDUSSCGKSA-N 1 2 337.855 2.340 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cn(C3CCC3)nn2)C1 ZINC001034210586 1195949441 /nfs/dbraw/zinc/94/94/41/1195949441.db2.gz PXWBAPIVBRXRSY-ZDUSSCGKSA-N 1 2 337.855 2.340 20 30 EEEDLO C=CC[N@H+]1CCCC[C@@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001034342503 1196124433 /nfs/dbraw/zinc/12/44/33/1196124433.db2.gz RWUXYGVICASTEW-MRXNPFEDSA-N 1 2 325.416 2.242 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(N(C)C)ccn2)C1 ZINC001034549338 1196380410 /nfs/dbraw/zinc/38/04/10/1196380410.db2.gz XZDAWPNVVZLVJU-CQSZACIVSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(N(C)C)ccn2)C1 ZINC001034549338 1196380412 /nfs/dbraw/zinc/38/04/12/1196380412.db2.gz XZDAWPNVVZLVJU-CQSZACIVSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1C[C@@H](C)[C@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001090256816 1196664144 /nfs/dbraw/zinc/66/41/44/1196664144.db2.gz VRHVHLJMFUICLY-FSPWUOQZSA-N 1 2 332.448 2.009 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(-n3cccc3)c2)C1 ZINC001014838573 1224424598 /nfs/dbraw/zinc/42/45/98/1224424598.db2.gz MEMUEZCXBFAVIG-HNNXBMFYSA-N 1 2 330.819 2.429 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnc(-n3cccc3)c2)C1 ZINC001014838573 1224424600 /nfs/dbraw/zinc/42/46/00/1224424600.db2.gz MEMUEZCXBFAVIG-HNNXBMFYSA-N 1 2 330.819 2.429 20 30 EEEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1cnc(Cl)nc1)CC2 ZINC001273274921 1197943433 /nfs/dbraw/zinc/94/34/33/1197943433.db2.gz OZFDBSJBZXHBLW-AWEZNQCLSA-N 1 2 334.851 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ZINC000875427913 1199246184 /nfs/dbraw/zinc/24/61/84/1199246184.db2.gz YBVHYUPBLCQTPP-QZTJIDSGSA-N 1 2 329.444 2.161 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132073401 1199265477 /nfs/dbraw/zinc/26/54/77/1199265477.db2.gz VTTQACGWZKJGGK-CVEARBPZSA-N 1 2 337.508 2.474 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132073401 1199265481 /nfs/dbraw/zinc/26/54/81/1199265481.db2.gz VTTQACGWZKJGGK-CVEARBPZSA-N 1 2 337.508 2.474 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccccc1Cl ZINC001018264221 1224542777 /nfs/dbraw/zinc/54/27/77/1224542777.db2.gz UQJHZMRRSCKOHE-GASCZTMLSA-N 1 2 332.831 2.417 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccccc1Cl ZINC001018264221 1224542781 /nfs/dbraw/zinc/54/27/81/1224542781.db2.gz UQJHZMRRSCKOHE-GASCZTMLSA-N 1 2 332.831 2.417 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=O)NCCC)C2)CC1 ZINC001132279541 1199530306 /nfs/dbraw/zinc/53/03/06/1199530306.db2.gz YHZNBQWFEXMGSR-HZPDHXFCSA-N 1 2 335.492 2.228 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=O)NCCC)C2)CC1 ZINC001132279541 1199530311 /nfs/dbraw/zinc/53/03/11/1199530311.db2.gz YHZNBQWFEXMGSR-HZPDHXFCSA-N 1 2 335.492 2.228 20 30 EEEDLO C=CCCCC(=O)NCC[NH2+]Cc1csc(N(CC)C(C)=O)n1 ZINC001133154337 1200507508 /nfs/dbraw/zinc/50/75/08/1200507508.db2.gz GBGIBCJFFQMGNH-UHFFFAOYSA-N 1 2 338.477 2.078 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N(C)CC)cc1 ZINC001018333793 1224617794 /nfs/dbraw/zinc/61/77/94/1224617794.db2.gz DOWLGVNARSBAPM-KDURUIRLSA-N 1 2 325.456 2.455 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N(C)CC)cc1 ZINC001018333793 1224617795 /nfs/dbraw/zinc/61/77/95/1224617795.db2.gz DOWLGVNARSBAPM-KDURUIRLSA-N 1 2 325.456 2.455 20 30 EEEDLO C#CCOc1cc(F)ccc1NC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000878801266 1200685346 /nfs/dbraw/zinc/68/53/46/1200685346.db2.gz QUPZNJKGCBIUAT-OAHLLOKOSA-N 1 2 349.406 2.070 20 30 EEEDLO C#CCOc1cc(F)ccc1NC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000878801266 1200685353 /nfs/dbraw/zinc/68/53/53/1200685353.db2.gz QUPZNJKGCBIUAT-OAHLLOKOSA-N 1 2 349.406 2.070 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000878803464 1200686850 /nfs/dbraw/zinc/68/68/50/1200686850.db2.gz BKSUIRJGEONNOG-OAHLLOKOSA-N 1 2 349.406 2.070 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000878803464 1200686855 /nfs/dbraw/zinc/68/68/55/1200686855.db2.gz BKSUIRJGEONNOG-OAHLLOKOSA-N 1 2 349.406 2.070 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@](C)(C=C)CC)C2)CC1 ZINC001018371076 1224653946 /nfs/dbraw/zinc/65/39/46/1224653946.db2.gz CIEOKYAEGXOXAM-YLJYHZDGSA-N 1 2 347.503 2.158 20 30 EEEDLO COc1cc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)ccn1 ZINC000879590078 1201160489 /nfs/dbraw/zinc/16/04/89/1201160489.db2.gz PJBBOWCVIWYBCY-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)nc1 ZINC000879589191 1201160574 /nfs/dbraw/zinc/16/05/74/1201160574.db2.gz BUKQKZBKGBZHGA-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001018401161 1224678679 /nfs/dbraw/zinc/67/86/79/1224678679.db2.gz SSQKCRWZNYMPNU-UKRRQHHQSA-N 1 2 344.459 2.113 20 30 EEEDLO C=CCc1ccc(OCC(=O)OCC[N@@H+]2CCO[C@H](C)C2)c(OC)c1 ZINC000800077864 1202205104 /nfs/dbraw/zinc/20/51/04/1202205104.db2.gz DGKGVBFNQJXBAW-OAHLLOKOSA-N 1 2 349.427 2.066 20 30 EEEDLO C=CCc1ccc(OCC(=O)OCC[N@H+]2CCO[C@H](C)C2)c(OC)c1 ZINC000800077864 1202205106 /nfs/dbraw/zinc/20/51/06/1202205106.db2.gz DGKGVBFNQJXBAW-OAHLLOKOSA-N 1 2 349.427 2.066 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cccn3nccc23)C1 ZINC001015094757 1224738746 /nfs/dbraw/zinc/73/87/46/1224738746.db2.gz UTLSHOCJPDRVOA-KRWDZBQOSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cccn3nccc23)C1 ZINC001015094757 1224738750 /nfs/dbraw/zinc/73/87/50/1224738750.db2.gz UTLSHOCJPDRVOA-KRWDZBQOSA-N 1 2 345.406 2.210 20 30 EEEDLO 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/nfs/dbraw/zinc/22/24/81/1205222481.db2.gz GOJAPENZKIDFSR-BGYRXZFFSA-N 1 2 335.455 2.183 20 30 EEEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@H+]3CCCC(F)(F)F)cc1C#N ZINC001275166347 1205271570 /nfs/dbraw/zinc/27/15/70/1205271570.db2.gz SPLJTMVGHQYETA-GASCZTMLSA-N 1 2 326.366 2.498 20 30 EEEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+]3CCCC(F)(F)F)cc1C#N ZINC001275166347 1205271571 /nfs/dbraw/zinc/27/15/71/1205271571.db2.gz SPLJTMVGHQYETA-GASCZTMLSA-N 1 2 326.366 2.498 20 30 EEEDLO CCn1ccnc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(C#N)ccc1F ZINC001275357578 1205319271 /nfs/dbraw/zinc/31/92/71/1205319271.db2.gz GZIFTCAAKSRSLM-CALCHBBNSA-N 1 2 339.418 2.372 20 30 EEEDLO CCn1ccnc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(C#N)ccc1F ZINC001275357578 1205319274 /nfs/dbraw/zinc/31/92/74/1205319274.db2.gz GZIFTCAAKSRSLM-CALCHBBNSA-N 1 2 339.418 2.372 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2CCOCC2)C[C@@H]1C ZINC000946981137 1205957907 /nfs/dbraw/zinc/95/79/07/1205957907.db2.gz SSMZOMGQSRHXTN-GXTWGEPZSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2CCOCC2)C[C@@H]1C ZINC000946981137 1205957909 /nfs/dbraw/zinc/95/79/09/1205957909.db2.gz SSMZOMGQSRHXTN-GXTWGEPZSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnnn1CC ZINC001110933874 1206314792 /nfs/dbraw/zinc/31/47/92/1206314792.db2.gz SZPMVXVZIALLBG-ABFRBSLYSA-N 1 2 331.464 2.122 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnnn1CC ZINC001110933874 1206314793 /nfs/dbraw/zinc/31/47/93/1206314793.db2.gz SZPMVXVZIALLBG-ABFRBSLYSA-N 1 2 331.464 2.122 20 30 EEEDLO C#CCCCCC(=O)NCC1(Nc2cc[nH+]c(C)n2)CCOCC1 ZINC001110982773 1206536747 /nfs/dbraw/zinc/53/67/47/1206536747.db2.gz RATGGPWNGHNSOZ-UHFFFAOYSA-N 1 2 330.432 2.056 20 30 EEEDLO C=CCCCC(=O)NC[C@]1(O)CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001111122828 1208271480 /nfs/dbraw/zinc/27/14/80/1208271480.db2.gz DECZCRQSAUOXAY-LJQANCHMSA-N 1 2 346.475 2.322 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncccn3)[C@H](C)C2)cc1 ZINC000947612700 1208645092 /nfs/dbraw/zinc/64/50/92/1208645092.db2.gz XGZNVYUIXKSZNZ-QAPCUYQASA-N 1 2 334.423 2.241 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncccn3)[C@H](C)C2)cc1 ZINC000947612700 1208645095 /nfs/dbraw/zinc/64/50/95/1208645095.db2.gz XGZNVYUIXKSZNZ-QAPCUYQASA-N 1 2 334.423 2.241 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](CC)C2)C1 ZINC000948538331 1209204210 /nfs/dbraw/zinc/20/42/10/1209204210.db2.gz HPOYMRFWCONORR-CABCVRRESA-N 1 2 344.459 2.052 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)ncn1 ZINC000948910211 1209447390 /nfs/dbraw/zinc/44/73/90/1209447390.db2.gz LXASIKHVNHYTDB-IBGZPJMESA-N 1 2 334.423 2.138 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)ncn1 ZINC000948910211 1209447393 /nfs/dbraw/zinc/44/73/93/1209447393.db2.gz LXASIKHVNHYTDB-IBGZPJMESA-N 1 2 334.423 2.138 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cn(C)nc1C1CC1 ZINC000948923281 1209454648 /nfs/dbraw/zinc/45/46/48/1209454648.db2.gz FDCSUCZHQDWIHJ-LJQANCHMSA-N 1 2 348.450 2.260 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cn(C)nc1C1CC1 ZINC000948923281 1209454652 /nfs/dbraw/zinc/45/46/52/1209454652.db2.gz FDCSUCZHQDWIHJ-LJQANCHMSA-N 1 2 348.450 2.260 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C2CC2)n(C)n1 ZINC000948923762 1209455649 /nfs/dbraw/zinc/45/56/49/1209455649.db2.gz SKBWAQIDXRJINQ-FQEVSTJZSA-N 1 2 348.450 2.260 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C2CC2)n(C)n1 ZINC000948923762 1209455652 /nfs/dbraw/zinc/45/56/52/1209455652.db2.gz SKBWAQIDXRJINQ-FQEVSTJZSA-N 1 2 348.450 2.260 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3c(C)oc(C)c3C)CC2)C1 ZINC000949412526 1209673878 /nfs/dbraw/zinc/67/38/78/1209673878.db2.gz XVPXAYAYPKNPNW-UHFFFAOYSA-N 1 2 330.428 2.145 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3c(C)oc(C)c3C)CC2)C1 ZINC000949412526 1209673880 /nfs/dbraw/zinc/67/38/80/1209673880.db2.gz XVPXAYAYPKNPNW-UHFFFAOYSA-N 1 2 330.428 2.145 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)Cc3cccs3)CC2)C1 ZINC000949482889 1209708437 /nfs/dbraw/zinc/70/84/37/1209708437.db2.gz FJLPBZNGOCTKOI-MRXNPFEDSA-N 1 2 346.496 2.253 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)Cc3cccs3)CC2)C1 ZINC000949482889 1209708439 /nfs/dbraw/zinc/70/84/39/1209708439.db2.gz FJLPBZNGOCTKOI-MRXNPFEDSA-N 1 2 346.496 2.253 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000949515269 1209723679 /nfs/dbraw/zinc/72/36/79/1209723679.db2.gz IRAVIRNJQNLZDR-UHFFFAOYSA-N 1 2 332.831 2.280 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000949515269 1209723681 /nfs/dbraw/zinc/72/36/81/1209723681.db2.gz IRAVIRNJQNLZDR-UHFFFAOYSA-N 1 2 332.831 2.280 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc4ccccc4o3)CC2)C1 ZINC000949523288 1209727589 /nfs/dbraw/zinc/72/75/89/1209727589.db2.gz LBZGOXIQWJZXPQ-UHFFFAOYSA-N 1 2 338.407 2.373 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc4ccccc4o3)CC2)C1 ZINC000949523288 1209727593 /nfs/dbraw/zinc/72/75/93/1209727593.db2.gz LBZGOXIQWJZXPQ-UHFFFAOYSA-N 1 2 338.407 2.373 20 30 EEEDLO C=CCCC1(C(=O)N2C[C@H]3CN(c4cc[nH+]c(C)n4)C[C@H]3C2)CC1 ZINC001111307317 1210097151 /nfs/dbraw/zinc/09/71/51/1210097151.db2.gz QYQNHKVWECCHBS-IYBDPMFKSA-N 1 2 326.444 2.426 20 30 EEEDLO C=CCCCC(=O)N[C@@]1(CO)CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001111364505 1210749166 /nfs/dbraw/zinc/74/91/66/1210749166.db2.gz XLXQBDZSEHQWRT-IBGZPJMESA-N 1 2 346.475 2.206 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1COCCN1c1nc(C)[nH+]c(C)c1C ZINC001111723297 1211282446 /nfs/dbraw/zinc/28/24/46/1211282446.db2.gz ZRPBMZLMJDZZTC-MRXNPFEDSA-N 1 2 346.475 2.326 20 30 EEEDLO CCCc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)[nH]n1 ZINC001015469250 1225297230 /nfs/dbraw/zinc/29/72/30/1225297230.db2.gz BYDRZIVGLAVORV-QGZVFWFLSA-N 1 2 337.427 2.238 20 30 EEEDLO CCCc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)[nH]n1 ZINC001015469250 1225297233 /nfs/dbraw/zinc/29/72/33/1225297233.db2.gz BYDRZIVGLAVORV-QGZVFWFLSA-N 1 2 337.427 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/nfs/dbraw/zinc/61/60/87/1227616087.db2.gz CCNWYFOPPGRIPX-LXTVHRRPSA-N 1 2 326.362 2.440 20 30 EEEDLO C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C2 ZINC001054718892 1248922741 /nfs/dbraw/zinc/92/27/41/1248922741.db2.gz ZXQGGYLADDPJSF-RBVVOMGSSA-N 1 2 344.459 2.050 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2noc(C(C)C)n2)C1 ZINC001020239930 1229574854 /nfs/dbraw/zinc/57/48/54/1229574854.db2.gz NMKFJDWWSHAJNF-HDJSIYSDSA-N 1 2 343.431 2.231 20 30 EEEDLO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c(C2CC2)n1 ZINC001038296183 1229729089 /nfs/dbraw/zinc/72/90/89/1229729089.db2.gz DDGPMTCESFZWTI-KRWDZBQOSA-N 1 2 349.438 2.173 20 30 EEEDLO Cn1cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)c(C2CC2)n1 ZINC001038296183 1229729091 /nfs/dbraw/zinc/72/90/91/1229729091.db2.gz DDGPMTCESFZWTI-KRWDZBQOSA-N 1 2 349.438 2.173 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)c1cncc2[nH]ccc21 ZINC001038466661 1229847681 /nfs/dbraw/zinc/84/76/81/1229847681.db2.gz 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CO[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039523535 1230675137 /nfs/dbraw/zinc/67/51/37/1230675137.db2.gz FWKTVYGHQSJFJB-OLMNPRSZSA-N 1 2 327.428 2.158 20 30 EEEDLO CO[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039523535 1230675139 /nfs/dbraw/zinc/67/51/39/1230675139.db2.gz FWKTVYGHQSJFJB-OLMNPRSZSA-N 1 2 327.428 2.158 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1CCN(CC)C1=O ZINC001039822244 1230835950 /nfs/dbraw/zinc/83/59/50/1230835950.db2.gz CWWDVPVDPGPFID-IXDOHACOSA-N 1 2 347.503 2.275 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1CCN(CC)C1=O ZINC001039822244 1230835954 /nfs/dbraw/zinc/83/59/54/1230835954.db2.gz CWWDVPVDPGPFID-IXDOHACOSA-N 1 2 347.503 2.275 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3C[C@H](F)CC)c1 ZINC001039905780 1230900782 /nfs/dbraw/zinc/90/07/82/1230900782.db2.gz VLSWNOMXBYZLJI-KURKYZTESA-N 1 2 329.419 2.490 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C[C@H](F)CC)c1 ZINC001039905780 1230900785 /nfs/dbraw/zinc/90/07/85/1230900785.db2.gz VLSWNOMXBYZLJI-KURKYZTESA-N 1 2 329.419 2.490 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@@H+]([C@@H](C)c1nncn1C)C2 ZINC001040322716 1231169877 /nfs/dbraw/zinc/16/98/77/1231169877.db2.gz LNYMTWPCQQNTIW-HNAYVOBHSA-N 1 2 345.491 2.403 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@H+]([C@@H](C)c1nncn1C)C2 ZINC001040322716 1231169879 /nfs/dbraw/zinc/16/98/79/1231169879.db2.gz LNYMTWPCQQNTIW-HNAYVOBHSA-N 1 2 345.491 2.403 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cn(C)nn1)C2 ZINC001040333097 1231174966 /nfs/dbraw/zinc/17/49/66/1231174966.db2.gz RERLNVWTCXBEMA-LJQANCHMSA-N 1 2 345.491 2.232 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cn(C)nn1)C2 ZINC001040333097 1231174968 /nfs/dbraw/zinc/17/49/68/1231174968.db2.gz RERLNVWTCXBEMA-LJQANCHMSA-N 1 2 345.491 2.232 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[C@@H]3CC[N@H+](Cc4cscn4)[C@H]3C2)c[nH]1 ZINC001042018778 1231834701 /nfs/dbraw/zinc/83/47/01/1231834701.db2.gz OGHLVVQLGMEKHO-LRDDRELGSA-N 1 2 341.440 2.079 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4cscn4)[C@H]3C2)c[nH]1 ZINC001042018778 1231834704 /nfs/dbraw/zinc/83/47/04/1231834704.db2.gz OGHLVVQLGMEKHO-LRDDRELGSA-N 1 2 341.440 2.079 20 30 EEEDLO CN(CCCN(C)C(=O)CCCn1cc[nH+]c1)C(=O)C#CC(C)(C)C ZINC001067382115 1231843648 /nfs/dbraw/zinc/84/36/48/1231843648.db2.gz DYLQXFWQALNQOC-UHFFFAOYSA-N 1 2 346.475 2.020 20 30 EEEDLO C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3c(C)n[nH]c3C(F)(F)F)C[C@@H]21 ZINC001042158003 1231925876 /nfs/dbraw/zinc/92/58/76/1231925876.db2.gz UZRPULTVPREMJN-RYUDHWBXSA-N 1 2 342.365 2.459 20 30 EEEDLO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3c(C)n[nH]c3C(F)(F)F)C[C@@H]21 ZINC001042158003 1231925880 /nfs/dbraw/zinc/92/58/80/1231925880.db2.gz UZRPULTVPREMJN-RYUDHWBXSA-N 1 2 342.365 2.459 20 30 EEEDLO COc1cccc([C@H](C)[NH+]2CC(N(C)C(=O)c3c[nH]c(C#N)c3)C2)c1 ZINC001042630324 1232125398 /nfs/dbraw/zinc/12/53/98/1232125398.db2.gz FGTYDRXFUPQLAF-ZDUSSCGKSA-N 1 2 338.411 2.412 20 30 EEEDLO CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CN(CC#Cc2ccccc2)C1 ZINC001043839791 1232598613 /nfs/dbraw/zinc/59/86/13/1232598613.db2.gz RXFJTNMEHRGJAQ-SFHVURJKSA-N 1 2 348.450 2.024 20 30 EEEDLO CC1(NC(=O)c2cc(C#N)c[nH]2)CC[NH+](Cc2cscn2)CC1 ZINC001045400835 1233721597 /nfs/dbraw/zinc/72/15/97/1233721597.db2.gz DELCFWWECXJYOM-UHFFFAOYSA-N 1 2 329.429 2.127 20 30 EEEDLO C#Cc1ccc(C(=O)NC2(C)CC[NH+](Cc3nccs3)CC2)cn1 ZINC001045623686 1233865942 /nfs/dbraw/zinc/86/59/42/1233865942.db2.gz XINWVERSIIWXLF-UHFFFAOYSA-N 1 2 340.452 2.304 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@]2(CC[N@H+](Cc3nncs3)C2)C1 ZINC001045936770 1234189394 /nfs/dbraw/zinc/18/93/94/1234189394.db2.gz MGEVGBGJWXOWNK-GOSISDBHSA-N 1 2 344.484 2.156 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@]2(CC[N@@H+](Cc3nncs3)C2)C1 ZINC001045936770 1234189397 /nfs/dbraw/zinc/18/93/97/1234189397.db2.gz MGEVGBGJWXOWNK-GOSISDBHSA-N 1 2 344.484 2.156 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@@]2(CC[N@H+](Cc3nncs3)C2)C1 ZINC001045936771 1234189461 /nfs/dbraw/zinc/18/94/61/1234189461.db2.gz MGEVGBGJWXOWNK-SFHVURJKSA-N 1 2 344.484 2.156 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@@]2(CC[N@@H+](Cc3nncs3)C2)C1 ZINC001045936771 1234189463 /nfs/dbraw/zinc/18/94/63/1234189463.db2.gz MGEVGBGJWXOWNK-SFHVURJKSA-N 1 2 344.484 2.156 20 30 EEEDLO C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCc3[nH]ncc31)C2 ZINC001045941815 1234199536 /nfs/dbraw/zinc/19/95/36/1234199536.db2.gz LYBMWTYQAXDOKK-OXQOHEQNSA-N 1 2 340.471 2.167 20 30 EEEDLO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCc3[nH]ncc31)C2 ZINC001045941815 1234199538 /nfs/dbraw/zinc/19/95/38/1234199538.db2.gz LYBMWTYQAXDOKK-OXQOHEQNSA-N 1 2 340.471 2.167 20 30 EEEDLO Cn1cccc1C(=O)N[C@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046150284 1234492662 /nfs/dbraw/zinc/49/26/62/1234492662.db2.gz RRGUNWJQYOIJSK-LJQANCHMSA-N 1 2 340.402 2.430 20 30 EEEDLO Cn1cccc1C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046150284 1234492664 /nfs/dbraw/zinc/49/26/64/1234492664.db2.gz RRGUNWJQYOIJSK-LJQANCHMSA-N 1 2 340.402 2.430 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001046221506 1234568573 /nfs/dbraw/zinc/56/85/73/1234568573.db2.gz RSQHERIMCUWDPJ-GOSISDBHSA-N 1 2 340.431 2.058 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001046221506 1234568575 /nfs/dbraw/zinc/56/85/75/1234568575.db2.gz RSQHERIMCUWDPJ-GOSISDBHSA-N 1 2 340.431 2.058 20 30 EEEDLO C[C@@]1(NC(=O)c2ncccc2O)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046260411 1234604599 /nfs/dbraw/zinc/60/45/99/1234604599.db2.gz AWOVOUQUPOGCHL-HXUWFJFHSA-N 1 2 335.407 2.033 20 30 EEEDLO C[C@@]1(NC(=O)c2ncccc2O)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046260411 1234604600 /nfs/dbraw/zinc/60/46/00/1234604600.db2.gz AWOVOUQUPOGCHL-HXUWFJFHSA-N 1 2 335.407 2.033 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046312415 1234656673 /nfs/dbraw/zinc/65/66/73/1234656673.db2.gz UEADDZMUXYJVQT-SFHVURJKSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046312415 1234656677 /nfs/dbraw/zinc/65/66/77/1234656677.db2.gz UEADDZMUXYJVQT-SFHVURJKSA-N 1 2 341.390 2.123 20 30 EEEDLO C[C@@]1(NC(=O)c2cnco2)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046522165 1234901789 /nfs/dbraw/zinc/90/17/89/1234901789.db2.gz GOMJPGLKQCNJMC-QGZVFWFLSA-N 1 2 328.347 2.080 20 30 EEEDLO C[C@@]1(NC(=O)c2cnco2)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046522165 1234901793 /nfs/dbraw/zinc/90/17/93/1234901793.db2.gz GOMJPGLKQCNJMC-QGZVFWFLSA-N 1 2 328.347 2.080 20 30 EEEDLO N#Cc1cccnc1N[C@H]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046647263 1235030819 /nfs/dbraw/zinc/03/08/19/1235030819.db2.gz MNACXCOYPHIUKS-JNSHFYNHSA-N 1 2 346.394 2.450 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001054970734 1249493301 /nfs/dbraw/zinc/49/33/01/1249493301.db2.gz HRFFLVHJNSAECX-GXTWGEPZSA-N 1 2 332.448 2.486 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001047531409 1236159737 /nfs/dbraw/zinc/15/97/37/1236159737.db2.gz OLTGMNFIXFAVRR-ZNMIVQPWSA-N 1 2 344.459 2.050 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC001096293486 1237191329 /nfs/dbraw/zinc/19/13/29/1237191329.db2.gz MDVHHXPDOJDQRK-UHFFFAOYSA-N 1 2 344.434 2.148 20 30 EEEDLO C[C@@H](C#N)OCCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000802727867 1238097777 /nfs/dbraw/zinc/09/77/77/1238097777.db2.gz CRNHBLNRQNZHJE-AWEZNQCLSA-N 1 2 340.383 2.226 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056575012 1239443510 /nfs/dbraw/zinc/44/35/10/1239443510.db2.gz VTRIRVIICFLFIL-PVAVHDDUSA-N 1 2 344.459 2.146 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001056689767 1239655417 /nfs/dbraw/zinc/65/54/17/1239655417.db2.gz CNFWPFZMPZMGHP-DLBZAZTESA-N 1 2 344.459 2.079 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2nccs2)c1 ZINC001049400654 1240794007 /nfs/dbraw/zinc/79/40/07/1240794007.db2.gz IMBXAUGYSHSNCO-HUUCEWRRSA-N 1 2 341.440 2.222 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2nccs2)c1 ZINC001049400654 1240794013 /nfs/dbraw/zinc/79/40/13/1240794013.db2.gz IMBXAUGYSHSNCO-HUUCEWRRSA-N 1 2 341.440 2.222 20 30 EEEDLO C=CCCCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001067705200 1240864208 /nfs/dbraw/zinc/86/42/08/1240864208.db2.gz MJXGDYLOORDBBU-INIZCTEOSA-N 1 2 346.475 2.109 20 30 EEEDLO N#Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2nccs2)[nH]1 ZINC001049424179 1240871371 /nfs/dbraw/zinc/87/13/71/1240871371.db2.gz AHFQJWYLOXQEFY-HUUCEWRRSA-N 1 2 341.440 2.222 20 30 EEEDLO N#Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2nccs2)[nH]1 ZINC001049424179 1240871379 /nfs/dbraw/zinc/87/13/79/1240871379.db2.gz AHFQJWYLOXQEFY-HUUCEWRRSA-N 1 2 341.440 2.222 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCn3cc(C)nc3C2)CC1 ZINC001000848715 1241040263 /nfs/dbraw/zinc/04/02/63/1241040263.db2.gz RZKGAIOQGKQFEK-MRXNPFEDSA-N 1 2 348.878 2.255 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCn3cc(C)nc3C2)CC1 ZINC001000848715 1241040273 /nfs/dbraw/zinc/04/02/73/1241040273.db2.gz RZKGAIOQGKQFEK-MRXNPFEDSA-N 1 2 348.878 2.255 20 30 EEEDLO C#Cc1ccc(C(=O)NCC2=CC[N@H+](Cc3ccn(CC)n3)CC2)cc1 ZINC001001030287 1241480533 /nfs/dbraw/zinc/48/05/33/1241480533.db2.gz BHHBSCOJGDZHCY-UHFFFAOYSA-N 1 2 348.450 2.446 20 30 EEEDLO C#Cc1ccc(C(=O)NCC2=CC[N@@H+](Cc3ccn(CC)n3)CC2)cc1 ZINC001001030287 1241480541 /nfs/dbraw/zinc/48/05/41/1241480541.db2.gz BHHBSCOJGDZHCY-UHFFFAOYSA-N 1 2 348.450 2.446 20 30 EEEDLO N#Cc1ccc(NCC2CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)nc1 ZINC001067899330 1249915011 /nfs/dbraw/zinc/91/50/11/1249915011.db2.gz TYGKLAMCQDOLGU-UHFFFAOYSA-N 1 2 346.394 2.450 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2ncccn2)cc1 ZINC001049628903 1241698135 /nfs/dbraw/zinc/69/81/35/1241698135.db2.gz DOJXBMAFOFOIRX-RBUKOAKNSA-N 1 2 346.434 2.337 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2ncccn2)cc1 ZINC001049628903 1241698143 /nfs/dbraw/zinc/69/81/43/1241698143.db2.gz DOJXBMAFOFOIRX-RBUKOAKNSA-N 1 2 346.434 2.337 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ncnn1CC ZINC001049637791 1241725486 /nfs/dbraw/zinc/72/54/86/1241725486.db2.gz YZHMQLFCHQXHRH-LSDHHAIUSA-N 1 2 331.464 2.076 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ncnn1CC ZINC001049637791 1241725495 /nfs/dbraw/zinc/72/54/95/1241725495.db2.gz YZHMQLFCHQXHRH-LSDHHAIUSA-N 1 2 331.464 2.076 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C(C)(C)C1 ZINC001073451828 1242498868 /nfs/dbraw/zinc/49/88/68/1242498868.db2.gz NIZABDYCFGCFBI-OAHLLOKOSA-N 1 2 346.475 2.062 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2C[N@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001049999683 1243007399 /nfs/dbraw/zinc/00/73/99/1243007399.db2.gz MSHJVFWCOAFOIZ-VHDGCEQUSA-N 1 2 328.416 2.134 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001049999683 1243007411 /nfs/dbraw/zinc/00/74/11/1243007411.db2.gz MSHJVFWCOAFOIZ-VHDGCEQUSA-N 1 2 328.416 2.134 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H](Nc1ncnc2c1C[N@H+](C)CC2)C1CC1 ZINC001096739249 1243208788 /nfs/dbraw/zinc/20/87/88/1243208788.db2.gz ICXXHLSTGLWZHK-QGZVFWFLSA-N 1 2 343.475 2.128 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H](Nc1ncnc2c1C[N@@H+](C)CC2)C1CC1 ZINC001096739249 1243208796 /nfs/dbraw/zinc/20/87/96/1243208796.db2.gz ICXXHLSTGLWZHK-QGZVFWFLSA-N 1 2 343.475 2.128 20 30 EEEDLO N#Cc1c(F)cccc1NC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001057322707 1243265734 /nfs/dbraw/zinc/26/57/34/1243265734.db2.gz JAUOGGFJWLJVFK-UHFFFAOYSA-N 1 2 341.390 2.456 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)no1 ZINC001096768488 1243298397 /nfs/dbraw/zinc/29/83/97/1243298397.db2.gz JDSUHEAFBPYTKK-LMMKCTJWSA-N 1 2 335.407 2.370 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)no1 ZINC001096768488 1243298402 /nfs/dbraw/zinc/29/84/02/1243298402.db2.gz JDSUHEAFBPYTKK-LMMKCTJWSA-N 1 2 335.407 2.370 20 30 EEEDLO Cc1ncncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001096827859 1243335729 /nfs/dbraw/zinc/33/57/29/1243335729.db2.gz QBNQNABNWVKNFD-RLLQIKCJSA-N 1 2 346.434 2.172 20 30 EEEDLO Cc1ncncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001096827859 1243335735 /nfs/dbraw/zinc/33/57/35/1243335735.db2.gz QBNQNABNWVKNFD-RLLQIKCJSA-N 1 2 346.434 2.172 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)[nH]n1 ZINC001096848045 1243363222 /nfs/dbraw/zinc/36/32/22/1243363222.db2.gz UXMICFIQXDFFRJ-LMMKCTJWSA-N 1 2 334.423 2.105 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)[nH]n1 ZINC001096848045 1243363232 /nfs/dbraw/zinc/36/32/32/1243363232.db2.gz UXMICFIQXDFFRJ-LMMKCTJWSA-N 1 2 334.423 2.105 20 30 EEEDLO O=C(C#CC1CC1)N1CC2(C1)CC[NH+](Cc1nccn1C(F)F)CC2 ZINC001050516021 1243768201 /nfs/dbraw/zinc/76/82/01/1243768201.db2.gz YZKAGDBUDIQGFA-UHFFFAOYSA-N 1 2 348.397 2.116 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001097244935 1243872454 /nfs/dbraw/zinc/87/24/54/1243872454.db2.gz TUCLUNHZDIGJSJ-UPJWGTAASA-N 1 2 328.420 2.025 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097419086 1244141858 /nfs/dbraw/zinc/14/18/58/1244141858.db2.gz DFNWNPXWSBXWDH-QFBILLFUSA-N 1 2 346.475 2.204 20 30 EEEDLO Cc1nc(N[C@@H]2CC[C@H]3CN(C(=O)C#CC(C)(C)C)C[C@H]32)cc[nH+]1 ZINC001097598955 1244406410 /nfs/dbraw/zinc/40/64/10/1244406410.db2.gz MKHONBNZDVHKKN-ARFHVFGLSA-N 1 2 326.444 2.483 20 30 EEEDLO C=CCCC(=O)NC1CCC(Nc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001097612731 1244420059 /nfs/dbraw/zinc/42/00/59/1244420059.db2.gz HPNWSANGJLWMTC-UHFFFAOYSA-N 1 2 332.452 2.052 20 30 EEEDLO C=CCCCC(=O)NC1CCC(Nc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001097637818 1244464245 /nfs/dbraw/zinc/46/42/45/1244464245.db2.gz VLGDSLHEWVXPTG-UHFFFAOYSA-N 1 2 346.479 2.442 20 30 EEEDLO Cc1nc(N[C@H](C)CNC(=O)c2cc(C#N)c[nH]2)c2c([nH+]1)CCCC2 ZINC001097777669 1244576062 /nfs/dbraw/zinc/57/60/62/1244576062.db2.gz KYNXQXRLXJWASD-LLVKDONJSA-N 1 2 338.415 2.094 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(C(C)(C)C)nc1C ZINC001050913923 1244611750 /nfs/dbraw/zinc/61/17/50/1244611750.db2.gz VPIYRGBGIMCXJQ-INIZCTEOSA-N 1 2 348.491 2.343 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(C(C)(C)C)nc1C ZINC001050913923 1244611754 /nfs/dbraw/zinc/61/17/54/1244611754.db2.gz VPIYRGBGIMCXJQ-INIZCTEOSA-N 1 2 348.491 2.343 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC001050957319 1244726014 /nfs/dbraw/zinc/72/60/14/1244726014.db2.gz IUPYRDMVPZPNKA-INIZCTEOSA-N 1 2 346.475 2.464 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC001050957319 1244726021 /nfs/dbraw/zinc/72/60/21/1244726021.db2.gz IUPYRDMVPZPNKA-INIZCTEOSA-N 1 2 346.475 2.464 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3nc(CC)no3)CC2)C1 ZINC001052693793 1244769827 /nfs/dbraw/zinc/76/98/27/1244769827.db2.gz ZEJDHRQUTONJGD-CQSZACIVSA-N 1 2 332.448 2.459 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3nc(CC)no3)CC2)C1 ZINC001052693793 1244769832 /nfs/dbraw/zinc/76/98/32/1244769832.db2.gz ZEJDHRQUTONJGD-CQSZACIVSA-N 1 2 332.448 2.459 20 30 EEEDLO C=CCCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050992110 1244798971 /nfs/dbraw/zinc/79/89/71/1244798971.db2.gz FNXGTGYBSNRKIY-LSDHHAIUSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050992110 1244798978 /nfs/dbraw/zinc/79/89/78/1244798978.db2.gz FNXGTGYBSNRKIY-LSDHHAIUSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2ncccc2o1 ZINC001051032240 1244880849 /nfs/dbraw/zinc/88/08/49/1244880849.db2.gz UYRHRDWEFTYTQK-CQSZACIVSA-N 1 2 329.400 2.225 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2ncccc2o1 ZINC001051032240 1244880850 /nfs/dbraw/zinc/88/08/50/1244880850.db2.gz UYRHRDWEFTYTQK-CQSZACIVSA-N 1 2 329.400 2.225 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ocnc1C(F)(F)F ZINC001051046464 1244904075 /nfs/dbraw/zinc/90/40/75/1244904075.db2.gz OHRKHJRSMNIFIN-NSHDSACASA-N 1 2 347.337 2.090 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ocnc1C(F)(F)F ZINC001051046464 1244904083 /nfs/dbraw/zinc/90/40/83/1244904083.db2.gz OHRKHJRSMNIFIN-NSHDSACASA-N 1 2 347.337 2.090 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnn(C(C)C)c1Cl ZINC001051046728 1244904955 /nfs/dbraw/zinc/90/49/55/1244904955.db2.gz TWWIIPNTVYEHRF-ZDUSSCGKSA-N 1 2 340.855 2.124 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnn(C(C)C)c1Cl ZINC001051046728 1244904960 /nfs/dbraw/zinc/90/49/60/1244904960.db2.gz TWWIIPNTVYEHRF-ZDUSSCGKSA-N 1 2 340.855 2.124 20 30 EEEDLO C=CCCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001051061132 1244926523 /nfs/dbraw/zinc/92/65/23/1244926523.db2.gz RDLQLBWODHIYEQ-IAGOWNOFSA-N 1 2 346.475 2.373 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001051137922 1245032213 /nfs/dbraw/zinc/03/22/13/1245032213.db2.gz RRAWQVBEZSRLLC-MOPGFXCFSA-N 1 2 328.456 2.185 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001051137922 1245032216 /nfs/dbraw/zinc/03/22/16/1245032216.db2.gz RRAWQVBEZSRLLC-MOPGFXCFSA-N 1 2 328.456 2.185 20 30 EEEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3cncn3C)cccc2C1 ZINC001051293241 1245489715 /nfs/dbraw/zinc/48/97/15/1245489715.db2.gz LTMSNCIBXMLCFS-UHFFFAOYSA-N 1 2 344.846 2.461 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3cncn3C)cccc2C1 ZINC001051293241 1245489722 /nfs/dbraw/zinc/48/97/22/1245489722.db2.gz LTMSNCIBXMLCFS-UHFFFAOYSA-N 1 2 344.846 2.461 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001101253228 1245574751 /nfs/dbraw/zinc/57/47/51/1245574751.db2.gz JKQJCOWQPSIEFX-BEFAXECRSA-N 1 2 343.475 2.319 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001101253228 1245574755 /nfs/dbraw/zinc/57/47/55/1245574755.db2.gz JKQJCOWQPSIEFX-BEFAXECRSA-N 1 2 343.475 2.319 20 30 EEEDLO C=CCCC1(C(=O)N[C@H](C)[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001051420026 1245703341 /nfs/dbraw/zinc/70/33/41/1245703341.db2.gz ZBCHMBBUGDWAIQ-HUUCEWRRSA-N 1 2 344.459 2.052 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001053031490 1245720710 /nfs/dbraw/zinc/72/07/10/1245720710.db2.gz GEEYFKAPVLQHMG-ZIAGYGMSSA-N 1 2 346.475 2.110 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001051460427 1245749149 /nfs/dbraw/zinc/74/91/49/1245749149.db2.gz SLKPONNAONKZSL-LSDHHAIUSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001051460427 1245749152 /nfs/dbraw/zinc/74/91/52/1245749152.db2.gz SLKPONNAONKZSL-LSDHHAIUSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001053072653 1245823487 /nfs/dbraw/zinc/82/34/87/1245823487.db2.gz DXEZXAIISUPZCA-CVEARBPZSA-N 1 2 346.475 2.086 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC2(C[NH+](C[C@H](F)CC)C2)n2ccnc21 ZINC001101640166 1246071955 /nfs/dbraw/zinc/07/19/55/1246071955.db2.gz YGNNSOBEVVGJPE-ZIAGYGMSSA-N 1 2 334.439 2.415 20 30 EEEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1onc3c1CCCC3)CCO2 ZINC001053338813 1246206988 /nfs/dbraw/zinc/20/69/88/1246206988.db2.gz POJPFUWXWZHIQY-UHFFFAOYSA-N 1 2 345.443 2.046 20 30 EEEDLO C=CCCC1(C(=O)N(C)CCNc2ncnc3c2C[N@H+](C)CC3)CC1 ZINC001101928812 1246254604 /nfs/dbraw/zinc/25/46/04/1246254604.db2.gz CRZWLIJGNRFVAR-UHFFFAOYSA-N 1 2 343.475 2.081 20 30 EEEDLO C=CCCC1(C(=O)N(C)CCNc2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC001101928812 1246254610 /nfs/dbraw/zinc/25/46/10/1246254610.db2.gz CRZWLIJGNRFVAR-UHFFFAOYSA-N 1 2 343.475 2.081 20 30 EEEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C(C)=C3CCCC3)C2)CC1 ZINC001052011770 1246374594 /nfs/dbraw/zinc/37/45/94/1246374594.db2.gz YRTKIRCMCLWVBE-IBGZPJMESA-N 1 2 329.488 2.119 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)cc(C)nc3C)C2)CC1 ZINC001052054779 1246424961 /nfs/dbraw/zinc/42/49/61/1246424961.db2.gz CSIFUPZCQKSKOW-GOSISDBHSA-N 1 2 342.487 2.025 20 30 EEEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)CC1 ZINC001052057918 1246428967 /nfs/dbraw/zinc/42/89/67/1246428967.db2.gz VEVADNLSWFRKIU-LWYYNNOASA-N 1 2 343.515 2.055 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C(C)(C)C(C)(F)F)C2)CC1 ZINC001052112600 1246493921 /nfs/dbraw/zinc/49/39/21/1246493921.db2.gz AIQCWGKKDXXWCG-HNNXBMFYSA-N 1 2 343.462 2.462 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C(F)F)nc1)O2 ZINC001053607574 1246525087 /nfs/dbraw/zinc/52/50/87/1246525087.db2.gz ZUUVMRGLMPVRJS-ZDUSSCGKSA-N 1 2 337.370 2.168 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1conc1C(C)C)O2 ZINC001053611379 1246531459 /nfs/dbraw/zinc/53/14/59/1246531459.db2.gz QFNJSQLXJOSVBK-CQSZACIVSA-N 1 2 333.432 2.337 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C)c(OC)c1)O2 ZINC001053625910 1246553981 /nfs/dbraw/zinc/55/39/81/1246553981.db2.gz IMOONPMGWDOLCB-MRXNPFEDSA-N 1 2 330.428 2.153 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(Cl)cc1F)CO2 ZINC001053864937 1246932801 /nfs/dbraw/zinc/93/28/01/1246932801.db2.gz MXXIQNOPIFPTRL-ZDUSSCGKSA-N 1 2 336.794 2.076 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C)c3cccnc13)CO2 ZINC001053873637 1246949724 /nfs/dbraw/zinc/94/97/24/1246949724.db2.gz DTMBLNCFXYNVNR-MRXNPFEDSA-N 1 2 349.434 2.140 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1cccc(C3CC3)c1)CO2 ZINC001053879804 1246957777 /nfs/dbraw/zinc/95/77/77/1246957777.db2.gz ADRZCZCQNWDTRL-LJQANCHMSA-N 1 2 338.451 2.089 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1noc3c1CCCCC3)CO2 ZINC001053943564 1247044604 /nfs/dbraw/zinc/04/46/04/1247044604.db2.gz JKNWIRZOEPTFJW-AWEZNQCLSA-N 1 2 345.443 2.093 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccn(C(CC)CC)n1)CO2 ZINC001053946630 1247050961 /nfs/dbraw/zinc/05/09/61/1247050961.db2.gz ACAHUCJRVCFIHJ-HNNXBMFYSA-N 1 2 346.475 2.393 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)c1ccc(C)cc1)CO2 ZINC001053985895 1247108640 /nfs/dbraw/zinc/10/86/40/1247108640.db2.gz CLDIIKBIEXLXKX-WMZOPIPTSA-N 1 2 326.440 2.081 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1sccc1C1CC1)CO2 ZINC001054002352 1247134309 /nfs/dbraw/zinc/13/43/09/1247134309.db2.gz WYHQHCZTUFOXCM-CQSZACIVSA-N 1 2 330.453 2.222 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001054031672 1247178899 /nfs/dbraw/zinc/17/88/99/1247178899.db2.gz ISDGHPXOFKGHNE-MRXNPFEDSA-N 1 2 327.815 2.458 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001054031672 1247178903 /nfs/dbraw/zinc/17/89/03/1247178903.db2.gz ISDGHPXOFKGHNE-MRXNPFEDSA-N 1 2 327.815 2.458 20 30 EEEDLO C#CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001054034190 1247185714 /nfs/dbraw/zinc/18/57/14/1247185714.db2.gz JSGRTLNITSXLKK-GOSISDBHSA-N 1 2 336.439 2.207 20 30 EEEDLO C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001054034190 1247185716 /nfs/dbraw/zinc/18/57/16/1247185716.db2.gz JSGRTLNITSXLKK-GOSISDBHSA-N 1 2 336.439 2.207 20 30 EEEDLO N#CCN1Cc2ccccc2C[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001054043693 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C=CCCC(=O)NCCC1=CC[N@@H+](Cc2cn(CC3CC3)nn2)CC1 ZINC001159543867 1319873793 /nfs/dbraw/zinc/87/37/93/1319873793.db2.gz DAYTVSVBXJVISI-UHFFFAOYSA-N 1 2 343.475 2.293 20 30 EEEDLO C[C@H](C#N)C(=O)NCCC1=CC[N@H+](Cc2ncc(C3CC3)o2)CC1 ZINC001159587744 1319902891 /nfs/dbraw/zinc/90/28/91/1319902891.db2.gz YGMYIVPVAIETOH-CYBMUJFWSA-N 1 2 328.416 2.350 20 30 EEEDLO C[C@H](C#N)C(=O)NCCC1=CC[N@@H+](Cc2ncc(C3CC3)o2)CC1 ZINC001159587744 1319902894 /nfs/dbraw/zinc/90/28/94/1319902894.db2.gz YGMYIVPVAIETOH-CYBMUJFWSA-N 1 2 328.416 2.350 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2CC=C(CCNC(=O)[C@@H](C)C#N)CC2)n1 ZINC001159594769 1319905584 /nfs/dbraw/zinc/90/55/84/1319905584.db2.gz SBYDUPGDEYLTTA-HNNXBMFYSA-N 1 2 329.448 2.262 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CC=C(CCNC(=O)[C@@H](C)C#N)CC2)n1 ZINC001159594769 1319905588 /nfs/dbraw/zinc/90/55/88/1319905588.db2.gz SBYDUPGDEYLTTA-HNNXBMFYSA-N 1 2 329.448 2.262 20 30 EEEDLO N#Cc1cc(C(=O)NCCC2=CC[N@H+](Cc3cscn3)CC2)c[nH]1 ZINC001159892003 1320014082 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C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1CCc1ccccc1OC ZINC001207453426 1323978736 /nfs/dbraw/zinc/97/87/36/1323978736.db2.gz HALZBOUEKQJADA-KRWDZBQOSA-N 1 2 342.443 2.168 20 30 EEEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1CCc1ccccc1OC ZINC001207453426 1323978741 /nfs/dbraw/zinc/97/87/41/1323978741.db2.gz HALZBOUEKQJADA-KRWDZBQOSA-N 1 2 342.443 2.168 20 30 EEEDLO Cc1ccc(C#N)c(NC(=O)[C@H]2CC23C[NH+](Cc2nccnc2C)C3)c1 ZINC001280045798 1324067710 /nfs/dbraw/zinc/06/77/10/1324067710.db2.gz NYARCUJGSDUNOJ-MRXNPFEDSA-N 1 2 347.422 2.426 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCC[C@H]([NH2+]Cc2nc(COC)no2)C1 ZINC001208193710 1324352731 /nfs/dbraw/zinc/35/27/31/1324352731.db2.gz JWTMCXHFFWQZHR-HNNXBMFYSA-N 1 2 348.447 2.065 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)C[C@H]1C ZINC001208512031 1324536918 /nfs/dbraw/zinc/53/69/18/1324536918.db2.gz SIXSVCBUCXDIQY-BJZITVGISA-N 1 2 330.476 2.368 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)C[C@H]1C ZINC001208512031 1324536924 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C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC=C(COC)CC1 ZINC001338796008 1336909212 /nfs/dbraw/zinc/90/92/12/1336909212.db2.gz XDSUIEBJMVAGEJ-UHFFFAOYSA-N 1 2 331.464 2.233 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@H](C)C[C@@H]1CC ZINC001338963733 1336937866 /nfs/dbraw/zinc/93/78/66/1336937866.db2.gz PRTOLVNOCFUROW-WBVHZDCISA-N 1 2 347.507 2.293 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2cc(Br)ccc21 ZINC001339070460 1336953707 /nfs/dbraw/zinc/95/37/07/1336953707.db2.gz SHGYPZRAEKNAFT-HNNXBMFYSA-N 1 2 333.229 2.436 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2cc(Br)ccc21 ZINC001339070460 1336953706 /nfs/dbraw/zinc/95/37/06/1336953706.db2.gz SHGYPZRAEKNAFT-HNNXBMFYSA-N 1 2 333.229 2.436 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CC=CCC1 ZINC001339476643 1337011327 /nfs/dbraw/zinc/01/13/27/1337011327.db2.gz ZILXHSBUNKGMJQ-JKSUJKDBSA-N 1 2 329.448 2.156 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CC=CCC1 ZINC001339476643 1337011331 /nfs/dbraw/zinc/01/13/31/1337011331.db2.gz ZILXHSBUNKGMJQ-JKSUJKDBSA-N 1 2 329.448 2.156 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@@H]1CC ZINC001342127585 1337309637 /nfs/dbraw/zinc/30/96/37/1337309637.db2.gz BJRJYJPREFTAON-KRWDZBQOSA-N 1 2 347.507 2.437 20 30 EEEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1cccc(NS(C)(=O)=O)c1 ZINC001342255366 1337312001 /nfs/dbraw/zinc/31/20/01/1337312001.db2.gz QESBJYZLCPRCBU-KTKRTIGZSA-N 1 2 345.424 2.415 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N(C)C[C@@H]1CCOC1 ZINC001343936119 1337357565 /nfs/dbraw/zinc/35/75/65/1337357565.db2.gz RKAXJBIDUOFTAZ-INIZCTEOSA-N 1 2 333.480 2.313 20 30 EEEDLO C=CCN(C)c1nnc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC(=C)C ZINC001343947210 1337358422 /nfs/dbraw/zinc/35/84/22/1337358422.db2.gz JESXQFWUTZJFAB-JKSUJKDBSA-N 1 2 331.464 2.402 20 30 EEEDLO C=CCN(C)c1nnc([C@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC(=C)C ZINC001343947210 1337358426 /nfs/dbraw/zinc/35/84/26/1337358426.db2.gz JESXQFWUTZJFAB-JKSUJKDBSA-N 1 2 331.464 2.402 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(CC)Cc1cnn(C)c1 ZINC001351656891 1337834383 /nfs/dbraw/zinc/83/43/83/1337834383.db2.gz OLJYSXTXBROLRB-UHFFFAOYSA-N 1 2 343.479 2.210 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(C3CC3)no2)C[C@@H]1O ZINC001100019824 1337935908 /nfs/dbraw/zinc/93/59/08/1337935908.db2.gz IHSSBEZUCROPGY-WBVHZDCISA-N 1 2 347.459 2.206 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C[C@@H]1O ZINC001100019824 1337935912 /nfs/dbraw/zinc/93/59/12/1337935912.db2.gz IHSSBEZUCROPGY-WBVHZDCISA-N 1 2 347.459 2.206 20 30 EEEDLO C=C(C)[C@H](CC(=O)NCC1([NH2+]Cc2c[nH]nn2)CCCCC1)OCC ZINC001575040184 1343724609 /nfs/dbraw/zinc/72/46/09/1343724609.db2.gz YUWUKSXXRGRCSN-INIZCTEOSA-N 1 2 349.479 2.085 20 30 EEEDLO C=C(C)[C@H](CC(=O)NCC1([NH2+]Cc2cn[nH]n2)CCCCC1)OCC ZINC001575040184 1343724614 /nfs/dbraw/zinc/72/46/14/1343724614.db2.gz YUWUKSXXRGRCSN-INIZCTEOSA-N 1 2 349.479 2.085 20 30 EEEDLO C=CCCCC[N@H+]1C[C@]2(F)CN(CC(C)(C)OC)C(=O)[C@]2(F)C1 ZINC001273500855 1368150126 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780056402 /nfs/dbraw/zinc/05/64/02/780056402.db2.gz SKLVSWFAMUJNEV-BEFAXECRSA-N 1 2 346.475 2.252 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H](CCNC(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001060372600 790827909 /nfs/dbraw/zinc/82/79/09/790827909.db2.gz SRMYYZWQICEAFU-HNNXBMFYSA-N 1 2 344.459 2.053 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H](CCNC(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001060372600 790827926 /nfs/dbraw/zinc/82/79/26/790827926.db2.gz SRMYYZWQICEAFU-HNNXBMFYSA-N 1 2 344.459 2.053 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)o1 ZINC001075658503 780971071 /nfs/dbraw/zinc/97/10/71/780971071.db2.gz FVJHVEZWOSDPPU-IVMMDQJWSA-N 1 2 339.399 2.090 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)o1 ZINC001075658503 780971076 /nfs/dbraw/zinc/97/10/76/780971076.db2.gz FVJHVEZWOSDPPU-IVMMDQJWSA-N 1 2 339.399 2.090 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](Nc2ccc(C#N)cn2)CC1 ZINC001063379052 790861776 /nfs/dbraw/zinc/86/17/76/790861776.db2.gz XFXZQXUWVQCTNG-SHTZXODSSA-N 1 2 338.415 2.067 20 30 EEEDLO CN(CCCN(C)c1ccc(C#N)cn1)C(=O)c1cccc2[nH+]ccn21 ZINC001112146235 781321625 /nfs/dbraw/zinc/32/16/25/781321625.db2.gz PYEWMINSLFKGOM-UHFFFAOYSA-N 1 2 348.410 2.199 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)OCc2ccccc2C)C1 ZINC001108101693 783351259 /nfs/dbraw/zinc/35/12/59/783351259.db2.gz OVHMQGYOQBEAHI-YLJYHZDGSA-N 1 2 346.471 2.293 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)OCc2ccccc2C)C1 ZINC001108101693 783351270 /nfs/dbraw/zinc/35/12/70/783351270.db2.gz OVHMQGYOQBEAHI-YLJYHZDGSA-N 1 2 346.471 2.293 20 30 EEEDLO CCCc1noc(C[NH2+][C@H]2CCCCCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001088281538 783352613 /nfs/dbraw/zinc/35/26/13/783352613.db2.gz PCGGNPMSIWMCRD-KGLIPLIRSA-N 1 2 333.436 2.043 20 30 EEEDLO C=CCC1(C(=O)NC[C@H]2C[C@H](Nc3cc[nH+]c(C)n3)C2)CCOCC1 ZINC001091470147 790940201 /nfs/dbraw/zinc/94/02/01/790940201.db2.gz WINJLCXWPZJJHV-WKILWMFISA-N 1 2 344.459 2.465 20 30 EEEDLO 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C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccnc(-c3ccco3)c2)C1 ZINC001035411863 784484829 /nfs/dbraw/zinc/48/48/29/784484829.db2.gz ONTVTKNEWCTEAG-INIZCTEOSA-N 1 2 341.411 2.348 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2sc(C)nc2CC(C)C)C1 ZINC001035436623 784525002 /nfs/dbraw/zinc/52/50/02/784525002.db2.gz RSDJZIJZZPWPTJ-OAHLLOKOSA-N 1 2 349.500 2.104 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2sc(C)nc2CC(C)C)C1 ZINC001035436623 784525009 /nfs/dbraw/zinc/52/50/09/784525009.db2.gz RSDJZIJZZPWPTJ-OAHLLOKOSA-N 1 2 349.500 2.104 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001035464771 784586281 /nfs/dbraw/zinc/58/62/81/784586281.db2.gz ZPQOMINYGBWWNF-OAHLLOKOSA-N 1 2 331.391 2.314 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001035464771 784586287 /nfs/dbraw/zinc/58/62/87/784586287.db2.gz ZPQOMINYGBWWNF-OAHLLOKOSA-N 1 2 331.391 2.314 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2oc3ccccc3c2OC)C1 ZINC001035466096 784589367 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C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)oc2C(F)(F)F)C1 ZINC001035528566 784679478 /nfs/dbraw/zinc/67/94/78/784679478.db2.gz FGAUADFCOPXKIJ-GFCCVEGCSA-N 1 2 344.333 2.061 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)oc2C(F)(F)F)C1 ZINC001035528566 784679482 /nfs/dbraw/zinc/67/94/82/784679482.db2.gz FGAUADFCOPXKIJ-GFCCVEGCSA-N 1 2 344.333 2.061 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001035530048 784682646 /nfs/dbraw/zinc/68/26/46/784682646.db2.gz QWYGGIBTQGWSPZ-ZDUSSCGKSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001035530048 784682652 /nfs/dbraw/zinc/68/26/52/784682652.db2.gz QWYGGIBTQGWSPZ-ZDUSSCGKSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(O[C@@H](C)CC)cc2)C1 ZINC001035566330 784694149 /nfs/dbraw/zinc/69/41/49/784694149.db2.gz CNNBFIKWXCTRNX-MAUKXSAKSA-N 1 2 332.444 2.481 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(O[C@@H](C)CC)cc2)C1 ZINC001035566330 784694155 /nfs/dbraw/zinc/69/41/55/784694155.db2.gz CNNBFIKWXCTRNX-MAUKXSAKSA-N 1 2 332.444 2.481 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cncc(C(F)(F)F)c2)C1 ZINC001035567931 784697613 /nfs/dbraw/zinc/69/76/13/784697613.db2.gz VOQVOAVMDSNJOE-CQSZACIVSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cncc(C(F)(F)F)c2)C1 ZINC001035567931 784697615 /nfs/dbraw/zinc/69/76/15/784697615.db2.gz VOQVOAVMDSNJOE-CQSZACIVSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC001035572594 784707944 /nfs/dbraw/zinc/70/79/44/784707944.db2.gz BUOXEQCGLBGWCF-HOCLYGCPSA-N 1 2 334.464 2.169 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC001035572594 784707947 /nfs/dbraw/zinc/70/79/47/784707947.db2.gz BUOXEQCGLBGWCF-HOCLYGCPSA-N 1 2 334.464 2.169 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccsc2C(F)(F)F)C1 ZINC001035585953 784791621 /nfs/dbraw/zinc/79/16/21/784791621.db2.gz COPKEFZJSYHWJZ-SNVBAGLBSA-N 1 2 334.363 2.384 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccsc2C(F)(F)F)C1 ZINC001035585953 784791625 /nfs/dbraw/zinc/79/16/25/784791625.db2.gz COPKEFZJSYHWJZ-SNVBAGLBSA-N 1 2 334.363 2.384 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)COc1cc(C)on1)CC2 ZINC001035726200 785025953 /nfs/dbraw/zinc/02/59/53/785025953.db2.gz ORHQLVVRUUUWOV-UHFFFAOYSA-N 1 2 339.823 2.039 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)Cn1cc(C3CC3)cn1)CC2 ZINC001035736520 785045922 /nfs/dbraw/zinc/04/59/22/785045922.db2.gz WTIZSJROERQEBY-UHFFFAOYSA-N 1 2 348.878 2.437 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCc3cncn3C1)CC2 ZINC001035738497 785050554 /nfs/dbraw/zinc/05/05/54/785050554.db2.gz ASVOZHYUPQOITI-HNNXBMFYSA-N 1 2 348.878 2.122 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C)[C@H]1CCCO1)CC2 ZINC001035788639 785131154 /nfs/dbraw/zinc/13/11/54/785131154.db2.gz GIXKUTQSSGFOFS-HUUCEWRRSA-N 1 2 326.868 2.478 20 30 EEEDLO C#CC[NH+]1CC2(C1)CCN(C(=O)c1cnc(-c3ccccc3)[nH]1)CC2 ZINC001035806886 785202879 /nfs/dbraw/zinc/20/28/79/785202879.db2.gz CQWJURUBCIQRKI-UHFFFAOYSA-N 1 2 334.423 2.248 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(C(N)=O)cc1)CC2 ZINC001035848522 785225301 /nfs/dbraw/zinc/22/53/01/785225301.db2.gz VYYFHCVIKQJQEE-UHFFFAOYSA-N 1 2 347.846 2.076 20 30 EEEDLO C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC001170909035 785285273 /nfs/dbraw/zinc/28/52/73/785285273.db2.gz SAVYKCRUGCXRBO-NEPJUHHUSA-N 1 2 328.350 2.354 20 30 EEEDLO C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001170909035 785285276 /nfs/dbraw/zinc/28/52/76/785285276.db2.gz SAVYKCRUGCXRBO-NEPJUHHUSA-N 1 2 328.350 2.354 20 30 EEEDLO CC[C@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(OC)c(C#N)c1 ZINC001032287144 785424809 /nfs/dbraw/zinc/42/48/09/785424809.db2.gz XKHDRDJPZWTQSO-JQFCIGGWSA-N 1 2 327.428 2.398 20 30 EEEDLO CC[C@H](C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(OC)c(C#N)c1 ZINC001032287144 785424817 /nfs/dbraw/zinc/42/48/17/785424817.db2.gz XKHDRDJPZWTQSO-JQFCIGGWSA-N 1 2 327.428 2.398 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)n1 ZINC001063480691 791124364 /nfs/dbraw/zinc/12/43/64/791124364.db2.gz HBGHVDGNTSCXDA-OAHLLOKOSA-N 1 2 338.415 2.021 20 30 EEEDLO C=C(C)CCC(=O)NCc1cn(C2C[NH+](Cc3ccccc3)C2)nn1 ZINC001107176783 786207994 /nfs/dbraw/zinc/20/79/94/786207994.db2.gz NFMXOEKPENSLSA-UHFFFAOYSA-N 1 2 339.443 2.308 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](C)c3cccs3)nn2)C1 ZINC001107211029 786411352 /nfs/dbraw/zinc/41/13/52/786411352.db2.gz IWERNRZYZAKKKW-CYBMUJFWSA-N 1 2 345.472 2.192 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C2 ZINC001109584527 805715689 /nfs/dbraw/zinc/71/56/89/805715689.db2.gz MWICOFXGNLUIJK-CRWXNKLISA-N 1 2 341.883 2.011 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C2 ZINC001109584527 805715697 /nfs/dbraw/zinc/71/56/97/805715697.db2.gz MWICOFXGNLUIJK-CRWXNKLISA-N 1 2 341.883 2.011 20 30 EEEDLO C#CCOc1cc(F)ccc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000821324698 786683309 /nfs/dbraw/zinc/68/33/09/786683309.db2.gz GTKGSFDWWSTIBB-UONOGXRCSA-N 1 2 349.406 2.068 20 30 EEEDLO C#CCOc1cc(F)ccc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000821324698 786683313 /nfs/dbraw/zinc/68/33/13/786683313.db2.gz GTKGSFDWWSTIBB-UONOGXRCSA-N 1 2 349.406 2.068 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)cn3)C[C@@H]2O)CC1 ZINC001090548320 786833348 /nfs/dbraw/zinc/83/33/48/786833348.db2.gz WYVDJUDAAFAMFP-ROUUACIJSA-N 1 2 347.434 2.019 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)cn3)C[C@@H]2O)CC1 ZINC001090548320 786833360 /nfs/dbraw/zinc/83/33/60/786833360.db2.gz WYVDJUDAAFAMFP-ROUUACIJSA-N 1 2 347.434 2.019 20 30 EEEDLO C#CCCCCC(=O)N1CCCO[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001090573230 787016978 /nfs/dbraw/zinc/01/69/78/787016978.db2.gz OZNTUTHJEPAWSO-INIZCTEOSA-N 1 2 330.432 2.008 20 30 EEEDLO C#CCCCCCC(=O)N1CCCO[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001090576729 787032663 /nfs/dbraw/zinc/03/26/63/787032663.db2.gz BJKCFOREMBLOHS-KRWDZBQOSA-N 1 2 344.459 2.398 20 30 EEEDLO CC#CCCCC(=O)N1CCCO[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001090580837 787046906 /nfs/dbraw/zinc/04/69/06/787046906.db2.gz OKSHWVUNTRRUER-MRXNPFEDSA-N 1 2 330.432 2.008 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(CC)cc2)[C@H](O)C1 ZINC001090607343 787299558 /nfs/dbraw/zinc/29/95/58/787299558.db2.gz UYMLJLLADPOUOJ-DLBZAZTESA-N 1 2 336.863 2.095 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(CC)cc2)[C@H](O)C1 ZINC001090607343 787299565 /nfs/dbraw/zinc/29/95/65/787299565.db2.gz UYMLJLLADPOUOJ-DLBZAZTESA-N 1 2 336.863 2.095 20 30 EEEDLO C=C1CCC(C(=O)NC/C=C\CNc2[nH+]cnc3c2cnn3C)CC1 ZINC001107493375 787409282 /nfs/dbraw/zinc/40/92/82/787409282.db2.gz FLRGTNLZNHEWJO-ARJAWSKDSA-N 1 2 340.431 2.194 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3cccnc3c2)[C@@H](O)C1 ZINC001090655768 787594759 /nfs/dbraw/zinc/59/47/59/787594759.db2.gz VQQIVJVWXWAHDK-WBVHZDCISA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3cccnc3c2)[C@@H](O)C1 ZINC001090655768 787594761 /nfs/dbraw/zinc/59/47/61/787594761.db2.gz VQQIVJVWXWAHDK-WBVHZDCISA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001062281935 787784891 /nfs/dbraw/zinc/78/48/91/787784891.db2.gz CUIJYUQEUVALCA-HZPDHXFCSA-N 1 2 346.475 2.062 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001062293340 787804406 /nfs/dbraw/zinc/80/44/06/787804406.db2.gz VUQVXMPZWKIVGL-OAHLLOKOSA-N 1 2 332.448 2.114 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060771007 787806449 /nfs/dbraw/zinc/80/64/49/787806449.db2.gz CWAPPADYXWVXJI-SHTZXODSSA-N 1 2 346.475 2.346 20 30 EEEDLO C=CC1(CC(=O)N2CC[NH+](CCOCCOC)CC2)CCCCC1 ZINC000824120656 788049311 /nfs/dbraw/zinc/04/93/11/788049311.db2.gz IBIWTTGQZVALNE-UHFFFAOYSA-N 1 2 338.492 2.320 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC(C)C)CC1 ZINC001109675639 805856561 /nfs/dbraw/zinc/85/65/61/805856561.db2.gz BNWACMQGICZXBK-SQNIBIBYSA-N 1 2 347.503 2.227 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC(C)C)CC1 ZINC001109675639 805856571 /nfs/dbraw/zinc/85/65/71/805856571.db2.gz BNWACMQGICZXBK-SQNIBIBYSA-N 1 2 347.503 2.227 20 30 EEEDLO C#CCOc1ccc(C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1 ZINC000825068473 788428543 /nfs/dbraw/zinc/42/85/43/788428543.db2.gz QNIWATVMKVYHBK-INIZCTEOSA-N 1 2 336.382 2.434 20 30 EEEDLO C#CCOc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1 ZINC000825068473 788428546 /nfs/dbraw/zinc/42/85/46/788428546.db2.gz QNIWATVMKVYHBK-INIZCTEOSA-N 1 2 336.382 2.434 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CCC(CC2)CC3)[C@@H](O)C1 ZINC001090830412 788488312 /nfs/dbraw/zinc/48/83/12/788488312.db2.gz MIVIFWAJPBFNAU-GWUWNPHMSA-N 1 2 326.868 2.261 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CCC(CC2)CC3)[C@@H](O)C1 ZINC001090830412 788488317 /nfs/dbraw/zinc/48/83/17/788488317.db2.gz MIVIFWAJPBFNAU-GWUWNPHMSA-N 1 2 326.868 2.261 20 30 EEEDLO C=CCCC(=O)NC[C@]1(C)C[N@H+](CCc2csc(C)n2)CCO1 ZINC001107802595 788503860 /nfs/dbraw/zinc/50/38/60/788503860.db2.gz VIONOGGOCRCELV-QGZVFWFLSA-N 1 2 337.489 2.167 20 30 EEEDLO C=CCCC(=O)NC[C@]1(C)C[N@@H+](CCc2csc(C)n2)CCO1 ZINC001107802595 788503867 /nfs/dbraw/zinc/50/38/67/788503867.db2.gz VIONOGGOCRCELV-QGZVFWFLSA-N 1 2 337.489 2.167 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107804259 788511753 /nfs/dbraw/zinc/51/17/53/788511753.db2.gz GZIFMZLLUCXCGK-CHWSQXEVSA-N 1 2 332.448 2.172 20 30 EEEDLO CC(=O)Nc1cccc(NC(=O)CO[NH+]=C(N)c2ccc(F)cc2)c1 ZINC000029464499 788680260 /nfs/dbraw/zinc/68/02/60/788680260.db2.gz KOCGWSUDRBUWGC-UHFFFAOYSA-N 1 2 344.346 2.060 20 30 EEEDLO CCOc1cccc(CNC(=O)CO[NH+]=C(N)Cc2ccccc2)c1 ZINC000151211918 788721512 /nfs/dbraw/zinc/72/15/12/788721512.db2.gz ZVDFITICEUXSHC-UHFFFAOYSA-N 1 2 341.411 2.233 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001108171889 788924625 /nfs/dbraw/zinc/92/46/25/788924625.db2.gz UMJLNHIUVNHKKB-LJQANCHMSA-N 1 2 325.412 2.012 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001108171889 788924629 /nfs/dbraw/zinc/92/46/29/788924629.db2.gz UMJLNHIUVNHKKB-LJQANCHMSA-N 1 2 325.412 2.012 20 30 EEEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)C(=O)OC(C)(C)C)CC1 ZINC000844340160 789010739 /nfs/dbraw/zinc/01/07/39/789010739.db2.gz KYBMMEVZTSTUPK-AWEZNQCLSA-N 1 2 343.427 2.105 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1OC ZINC001090930867 789027722 /nfs/dbraw/zinc/02/77/22/789027722.db2.gz NPUOBFFJLACTBW-CSMYWGQOSA-N 1 2 346.475 2.324 20 30 EEEDLO Cc1nc(C)c(C[N@@H+]2CCO[C@@](C)(CNC(=O)C#CC(C)C)C2)s1 ZINC001107927368 789322661 /nfs/dbraw/zinc/32/26/61/789322661.db2.gz UXCJFAHJDGVCGV-SFHVURJKSA-N 1 2 349.500 2.126 20 30 EEEDLO Cc1nc(C)c(C[N@H+]2CCO[C@@](C)(CNC(=O)C#CC(C)C)C2)s1 ZINC001107927368 789322670 /nfs/dbraw/zinc/32/26/70/789322670.db2.gz UXCJFAHJDGVCGV-SFHVURJKSA-N 1 2 349.500 2.126 20 30 EEEDLO C#CCCOc1ccc(C(=O)NC[C@]2(C)C[N@H+](CC=C)CCO2)cc1 ZINC001107937886 789391495 /nfs/dbraw/zinc/39/14/95/789391495.db2.gz CVNJRZIFHSICHV-HXUWFJFHSA-N 1 2 342.439 2.095 20 30 EEEDLO C#CCCOc1ccc(C(=O)NC[C@]2(C)C[N@@H+](CC=C)CCO2)cc1 ZINC001107937886 789391505 /nfs/dbraw/zinc/39/15/05/789391505.db2.gz CVNJRZIFHSICHV-HXUWFJFHSA-N 1 2 342.439 2.095 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001108181049 789597507 /nfs/dbraw/zinc/59/75/07/789597507.db2.gz ROWOHXNSGXDQMV-SFHVURJKSA-N 1 2 334.847 2.492 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001108181049 789597511 /nfs/dbraw/zinc/59/75/11/789597511.db2.gz ROWOHXNSGXDQMV-SFHVURJKSA-N 1 2 334.847 2.492 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(OC)ns2)C1 ZINC001098842176 789605756 /nfs/dbraw/zinc/60/57/56/789605756.db2.gz SGJHQGBYULXXGR-NHYWBVRUSA-N 1 2 341.864 2.489 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(OC)ns2)C1 ZINC001098842176 789605762 /nfs/dbraw/zinc/60/57/62/789605762.db2.gz SGJHQGBYULXXGR-NHYWBVRUSA-N 1 2 341.864 2.489 20 30 EEEDLO C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001107945203 789670372 /nfs/dbraw/zinc/67/03/72/789670372.db2.gz AZELZRSODGUPIC-BEFAXECRSA-N 1 2 346.475 2.003 20 30 EEEDLO C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001107945203 789670374 /nfs/dbraw/zinc/67/03/74/789670374.db2.gz AZELZRSODGUPIC-BEFAXECRSA-N 1 2 346.475 2.003 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(C)noc1C ZINC001032447780 789778922 /nfs/dbraw/zinc/77/89/22/789778922.db2.gz YVWZEHBNWBOJIZ-HOTGVXAUSA-N 1 2 340.427 2.378 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(C)noc1C ZINC001032447780 789778928 /nfs/dbraw/zinc/77/89/28/789778928.db2.gz YVWZEHBNWBOJIZ-HOTGVXAUSA-N 1 2 340.427 2.378 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)CCCC(=O)c2ccc(OC)cc2)C1 ZINC000923585602 789828328 /nfs/dbraw/zinc/82/83/28/789828328.db2.gz LUMNCXDOHXVWFI-QGZVFWFLSA-N 1 2 342.439 2.262 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCC(=O)c2ccc(OC)cc2)C1 ZINC000923585602 789828332 /nfs/dbraw/zinc/82/83/32/789828332.db2.gz LUMNCXDOHXVWFI-QGZVFWFLSA-N 1 2 342.439 2.262 20 30 EEEDLO C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001107957124 789858771 /nfs/dbraw/zinc/85/87/71/789858771.db2.gz UTPDHRYVDYBILH-AAEUAGOBSA-N 1 2 326.334 2.060 20 30 EEEDLO C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001107957124 789858777 /nfs/dbraw/zinc/85/87/77/789858777.db2.gz UTPDHRYVDYBILH-AAEUAGOBSA-N 1 2 326.334 2.060 20 30 EEEDLO C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001107957124 789858784 /nfs/dbraw/zinc/85/87/84/789858784.db2.gz UTPDHRYVDYBILH-AAEUAGOBSA-N 1 2 326.334 2.060 20 30 EEEDLO C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001107957124 789858788 /nfs/dbraw/zinc/85/87/88/789858788.db2.gz UTPDHRYVDYBILH-AAEUAGOBSA-N 1 2 326.334 2.060 20 30 EEEDLO CC[C@@H](C)C(=O)NC[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001149207476 790063398 /nfs/dbraw/zinc/06/33/98/790063398.db2.gz OAABCEVXYVCHLH-PBHICJAKSA-N 1 2 347.434 2.451 20 30 EEEDLO CC[C@@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001149207476 790063404 /nfs/dbraw/zinc/06/34/04/790063404.db2.gz OAABCEVXYVCHLH-PBHICJAKSA-N 1 2 347.434 2.451 20 30 EEEDLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCN(c2ccncc2C#N)C1 ZINC001063066061 790165581 /nfs/dbraw/zinc/16/55/81/790165581.db2.gz KGEUYYAGMPJGIX-OAHLLOKOSA-N 1 2 346.394 2.180 20 30 EEEDLO N#Cc1cnn(-c2ccccn2)c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212352302 790192029 /nfs/dbraw/zinc/19/20/29/790192029.db2.gz UGDITLYNIFTDDU-UHFFFAOYSA-N 1 2 347.382 2.114 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cncc(N3CCCC3)n2)[C@H]1C ZINC001088900683 791453091 /nfs/dbraw/zinc/45/30/91/791453091.db2.gz ZIKBOKBTTFNWFH-KGLIPLIRSA-N 1 2 349.866 2.022 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cncc(N3CCCC3)n2)[C@H]1C ZINC001088900683 791453095 /nfs/dbraw/zinc/45/30/95/791453095.db2.gz ZIKBOKBTTFNWFH-KGLIPLIRSA-N 1 2 349.866 2.022 20 30 EEEDLO C#CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001147441713 791839076 /nfs/dbraw/zinc/83/90/76/791839076.db2.gz ZSCJQSPBDFMDQS-UHFFFAOYSA-N 1 2 347.440 2.494 20 30 EEEDLO C#CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001147441713 791839082 /nfs/dbraw/zinc/83/90/82/791839082.db2.gz ZSCJQSPBDFMDQS-UHFFFAOYSA-N 1 2 347.440 2.494 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC1(CNC(=O)CCc2[nH+]ccn2C)CCC1 ZINC001063969616 792032112 /nfs/dbraw/zinc/03/21/12/792032112.db2.gz HULANSVSWHAYQE-OAHLLOKOSA-N 1 2 346.475 2.110 20 30 EEEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2nccn2C)C3)CCC1 ZINC001148226363 792262053 /nfs/dbraw/zinc/26/20/53/792262053.db2.gz DIYRPDZEFLLRSS-UHFFFAOYSA-N 1 2 328.460 2.201 20 30 EEEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2nccn2C)C3)CCC1 ZINC001148226363 792262063 /nfs/dbraw/zinc/26/20/63/792262063.db2.gz DIYRPDZEFLLRSS-UHFFFAOYSA-N 1 2 328.460 2.201 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC001089140154 792621517 /nfs/dbraw/zinc/62/15/17/792621517.db2.gz XFFKYYUHYHQMQY-HOCLYGCPSA-N 1 2 346.479 2.006 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC001089140154 792621523 /nfs/dbraw/zinc/62/15/23/792621523.db2.gz XFFKYYUHYHQMQY-HOCLYGCPSA-N 1 2 346.479 2.006 20 30 EEEDLO C=C1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](Cc2cnon2)CC3)CC1 ZINC000992152953 792937360 /nfs/dbraw/zinc/93/73/60/792937360.db2.gz OIYOCAVBSXSLAJ-WMZOPIPTSA-N 1 2 330.432 2.429 20 30 EEEDLO C=C1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](Cc2cnon2)CC3)CC1 ZINC000992152953 792937368 /nfs/dbraw/zinc/93/73/68/792937368.db2.gz OIYOCAVBSXSLAJ-WMZOPIPTSA-N 1 2 330.432 2.429 20 30 EEEDLO CC[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1Nc1cc[nH+]c(C)n1 ZINC001064395421 793025790 /nfs/dbraw/zinc/02/57/90/793025790.db2.gz KNQJWQODLDGFQN-DZGCQCFKSA-N 1 2 338.415 2.338 20 30 EEEDLO Cc1cnc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)C#CC2CC2)nc1 ZINC001089174531 793071994 /nfs/dbraw/zinc/07/19/94/793071994.db2.gz CTEZRZGBWSSBBZ-KRWDZBQOSA-N 1 2 326.444 2.011 20 30 EEEDLO Cc1cnc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)C#CC2CC2)nc1 ZINC001089174531 793072001 /nfs/dbraw/zinc/07/20/01/793072001.db2.gz CTEZRZGBWSSBBZ-KRWDZBQOSA-N 1 2 326.444 2.011 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](Cc4nncs4)C[C@@]3(C)C2)C1 ZINC001091995219 793474097 /nfs/dbraw/zinc/47/40/97/793474097.db2.gz BKQLIQVGMOMOHG-DYVFJYSZSA-N 1 2 332.473 2.175 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+](Cc4nncs4)C[C@@]3(C)C2)C1 ZINC001091995219 793474101 /nfs/dbraw/zinc/47/41/01/793474101.db2.gz BKQLIQVGMOMOHG-DYVFJYSZSA-N 1 2 332.473 2.175 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001091980972 793491561 /nfs/dbraw/zinc/49/15/61/793491561.db2.gz IKEWOQTUACCFDC-XYPHTWIQSA-N 1 2 334.489 2.421 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001091980972 793491566 /nfs/dbraw/zinc/49/15/66/793491566.db2.gz IKEWOQTUACCFDC-XYPHTWIQSA-N 1 2 334.489 2.421 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@H]1O ZINC001092183045 793645282 /nfs/dbraw/zinc/64/52/82/793645282.db2.gz UZNRHYKSDRVRSB-HZPDHXFCSA-N 1 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794875054 /nfs/dbraw/zinc/87/50/54/794875054.db2.gz KZNOBTZUMLMOFT-BDJLRTHQSA-N 1 2 342.374 2.244 20 30 EEEDLO Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)C)nc(C(C)C)[nH+]1 ZINC001093255179 794935479 /nfs/dbraw/zinc/93/54/79/794935479.db2.gz GSYZCGCSCHJDKQ-HWWDLCQESA-N 1 2 326.444 2.119 20 30 EEEDLO CC#CCCCC(=O)NCC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001077902645 795278445 /nfs/dbraw/zinc/27/84/45/795278445.db2.gz OVEPJEQCDWVNRG-HOTGVXAUSA-N 1 2 332.448 2.039 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n(CC2CC2)c1C ZINC001032736831 795312021 /nfs/dbraw/zinc/31/20/21/795312021.db2.gz BSMBOYJKCDUZGH-ROUUACIJSA-N 1 2 325.456 2.437 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n(CC2CC2)c1C ZINC001032736831 795312026 /nfs/dbraw/zinc/31/20/26/795312026.db2.gz BSMBOYJKCDUZGH-ROUUACIJSA-N 1 2 325.456 2.437 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)CC2)C1 ZINC001093537233 795333611 /nfs/dbraw/zinc/33/36/11/795333611.db2.gz KISOQFCKUWAZMN-RBUKOAKNSA-N 1 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/nfs/dbraw/zinc/62/87/30/795628730.db2.gz QXEDNUUPKRGMNP-BXUZGUMPSA-N 1 2 332.835 2.445 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nc(C)n3ccccc23)C1 ZINC001080127275 795628734 /nfs/dbraw/zinc/62/87/34/795628734.db2.gz QXEDNUUPKRGMNP-BXUZGUMPSA-N 1 2 332.835 2.445 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC(N(CC)C(=O)CCc2[nH+]ccn2C)C1 ZINC001080242837 795750439 /nfs/dbraw/zinc/75/04/39/795750439.db2.gz MIXFHLBQCOHSIT-LJQANCHMSA-N 1 2 346.475 2.014 20 30 EEEDLO C#CCO[C@H](C)C(=O)NCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001093878564 795758177 /nfs/dbraw/zinc/75/81/77/795758177.db2.gz SPHWIBMNQHEYJW-CQSZACIVSA-N 1 2 332.448 2.290 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(CC)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001080289748 795836655 /nfs/dbraw/zinc/83/66/55/795836655.db2.gz RTHZUYVQPNXLRY-ZIAGYGMSSA-N 1 2 346.475 2.205 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N(CC)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001080289746 795836917 /nfs/dbraw/zinc/83/69/17/795836917.db2.gz RTHZUYVQPNXLRY-KGLIPLIRSA-N 1 2 346.475 2.205 20 30 EEEDLO C=CCCCC(=O)N(CC)C1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001080390148 795934056 /nfs/dbraw/zinc/93/40/56/795934056.db2.gz QLPMFWURMBBPQX-CQSZACIVSA-N 1 2 332.448 2.004 20 30 EEEDLO C=CCCCC(=O)N(CC)C1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001080390148 795934060 /nfs/dbraw/zinc/93/40/60/795934060.db2.gz QLPMFWURMBBPQX-CQSZACIVSA-N 1 2 332.448 2.004 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ccc(Cl)cc3F)nn2)C1 ZINC001094303737 796072995 /nfs/dbraw/zinc/07/29/95/796072995.db2.gz YVEUUXZMBUYCBM-UHFFFAOYSA-N 1 2 349.797 2.043 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccnn2CC(F)F)[C@H]1C ZINC000993327977 796390056 /nfs/dbraw/zinc/39/00/56/796390056.db2.gz MFZOSCFOBZUNQN-NEPJUHHUSA-N 1 2 346.809 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccnn2CC(F)F)[C@H]1C ZINC000993327977 796390059 /nfs/dbraw/zinc/39/00/59/796390059.db2.gz MFZOSCFOBZUNQN-NEPJUHHUSA-N 1 2 346.809 2.483 20 30 EEEDLO CCN(CCNc1ncc(C#N)cc1F)C(=O)CCCn1cc[nH+]c1 ZINC001106793182 796573667 /nfs/dbraw/zinc/57/36/67/796573667.db2.gz BTCBPUWYJOPVBW-UHFFFAOYSA-N 1 2 344.394 2.030 20 30 EEEDLO C#Cc1ccc(C(=O)NC2C[NH+](CCCc3ccccc3OC)C2)nc1 ZINC001031278792 796636598 /nfs/dbraw/zinc/63/65/98/796636598.db2.gz XWVMPYOHMGLPDG-UHFFFAOYSA-N 1 2 349.434 2.118 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccccc1C ZINC001081303698 796722583 /nfs/dbraw/zinc/72/25/83/796722583.db2.gz GCOUFVNPVYWHOX-WOJBJXKFSA-N 1 2 349.434 2.496 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccccc1C ZINC001081303698 796722586 /nfs/dbraw/zinc/72/25/86/796722586.db2.gz GCOUFVNPVYWHOX-WOJBJXKFSA-N 1 2 349.434 2.496 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnc3nccnc3c2)[C@H]1C ZINC000993446365 796728110 /nfs/dbraw/zinc/72/81/10/796728110.db2.gz UOQIOJZUKQZLHV-OCCSQVGLSA-N 1 2 345.834 2.360 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnc3nccnc3c2)[C@H]1C ZINC000993446365 796728116 /nfs/dbraw/zinc/72/81/16/796728116.db2.gz UOQIOJZUKQZLHV-OCCSQVGLSA-N 1 2 345.834 2.360 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cscc2C(F)F)[C@H](OC)C1 ZINC001081681083 796850536 /nfs/dbraw/zinc/85/05/36/796850536.db2.gz XRSPGWWTOMVEKS-CHWSQXEVSA-N 1 2 328.384 2.138 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cscc2C(F)F)[C@H](OC)C1 ZINC001081681083 796850541 /nfs/dbraw/zinc/85/05/41/796850541.db2.gz XRSPGWWTOMVEKS-CHWSQXEVSA-N 1 2 328.384 2.138 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C(C)C)C1 ZINC000993635659 796857880 /nfs/dbraw/zinc/85/78/80/796857880.db2.gz JVGBXPYQHDENNI-SPYBWZPUSA-N 1 2 346.475 2.089 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ncn(C(C)(C)C)n2)[C@H]1C ZINC000993837456 797076227 /nfs/dbraw/zinc/07/62/27/797076227.db2.gz ZKMWYOCXTDJCCT-OLZOCXBDSA-N 1 2 339.871 2.368 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ncn(C(C)(C)C)n2)[C@H]1C ZINC000993837456 797076235 /nfs/dbraw/zinc/07/62/35/797076235.db2.gz ZKMWYOCXTDJCCT-OLZOCXBDSA-N 1 2 339.871 2.368 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(=O)cc2OC)[C@@H]1C ZINC000993856805 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C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1ccc(NC(C)=O)cc1 ZINC001445765878 1091619344 /nfs/dbraw/zinc/61/93/44/1091619344.db2.gz IRHQHWYNPICBCA-ZDUSSCGKSA-N 1 2 337.851 2.377 20 30 EEEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)[C@@H]1CCCOC1 ZINC001442920624 1097307923 /nfs/dbraw/zinc/30/79/23/1097307923.db2.gz NGOWUCITDQQKRU-CYBMUJFWSA-N 1 2 333.270 2.150 20 30 EEEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)[C@@H]1CCCOC1 ZINC001442920624 1097307928 /nfs/dbraw/zinc/30/79/28/1097307928.db2.gz NGOWUCITDQQKRU-CYBMUJFWSA-N 1 2 333.270 2.150 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+](CCNC(=O)C2=COCCC2)C2CC2)c1 ZINC001442991293 1097410025 /nfs/dbraw/zinc/41/00/25/1097410025.db2.gz BWJNAVIXZPGCLV-UHFFFAOYSA-N 1 2 343.402 2.472 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+](CCNC(=O)C2=COCCC2)C2CC2)c1 ZINC001442991293 1097410036 /nfs/dbraw/zinc/41/00/36/1097410036.db2.gz BWJNAVIXZPGCLV-UHFFFAOYSA-N 1 2 343.402 2.472 20 30 EEEDLO Cc1nccn1CCCC(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001480553990 1100392205 /nfs/dbraw/zinc/39/22/05/1100392205.db2.gz 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EEEDLO C#CCOc1cc(F)ccc1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000266372692 201218613 /nfs/dbraw/zinc/21/86/13/201218613.db2.gz GSYNPMKLHKAZFU-UHFFFAOYSA-N 1 2 349.406 2.070 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000271308282 201242495 /nfs/dbraw/zinc/24/24/95/201242495.db2.gz HBRHHGXEQTUKPG-UHFFFAOYSA-N 1 2 330.428 2.256 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000271308282 201242497 /nfs/dbraw/zinc/24/24/97/201242497.db2.gz HBRHHGXEQTUKPG-UHFFFAOYSA-N 1 2 330.428 2.256 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(C)c(Cl)c2Cl)CC1 ZINC000269422826 201232906 /nfs/dbraw/zinc/23/29/06/201232906.db2.gz ZPVUNOYNNCHROZ-UHFFFAOYSA-N 1 2 326.227 2.478 20 30 EEEDLO CCOC(=O)Nc1ccc(NC(=O)CCc2c[nH+]cn2C)cc1C#N ZINC000193659032 240254602 /nfs/dbraw/zinc/25/46/02/240254602.db2.gz QJPWYDLPGDMISP-UHFFFAOYSA-N 1 2 341.371 2.431 20 30 EEEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@H+]1C ZINC000451376477 243095275 /nfs/dbraw/zinc/09/52/75/243095275.db2.gz 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C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O ZINC000491689986 246114130 /nfs/dbraw/zinc/11/41/30/246114130.db2.gz LBMZAVPHWFDETR-HWPZZCPQSA-N 1 2 337.782 2.157 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O ZINC000491689986 246114138 /nfs/dbraw/zinc/11/41/38/246114138.db2.gz LBMZAVPHWFDETR-HWPZZCPQSA-N 1 2 337.782 2.157 20 30 EEEDLO C#C[C@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000491698334 246115208 /nfs/dbraw/zinc/11/52/08/246115208.db2.gz ANEQVAVAHCJLJF-ZWKOTPCHSA-N 1 2 330.403 2.260 20 30 EEEDLO C#C[C@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000491698334 246115214 /nfs/dbraw/zinc/11/52/14/246115214.db2.gz ANEQVAVAHCJLJF-ZWKOTPCHSA-N 1 2 330.403 2.260 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C/C3CCOCC3)CC2)cc1 ZINC000491882902 246196498 /nfs/dbraw/zinc/19/64/98/246196498.db2.gz KXIRFFIHEPDADZ-AATRIKPKSA-N 1 2 339.439 2.185 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000265155676 247253843 /nfs/dbraw/zinc/25/38/43/247253843.db2.gz USMQXABVHVYWCW-CQSZACIVSA-N 1 2 333.413 2.041 20 30 EEEDLO C=CCN(Cc1c[nH+]c(C)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361318 218136125 /nfs/dbraw/zinc/13/61/25/218136125.db2.gz JJOURFMMJLMPBB-KRWDZBQOSA-N 1 2 345.468 2.356 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000175116557 207093867 /nfs/dbraw/zinc/09/38/67/207093867.db2.gz ZTVZVYIHXRIJLZ-UHFFFAOYSA-N 1 2 328.803 2.498 20 30 EEEDLO Cc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000121529849 292265248 /nfs/dbraw/zinc/26/52/48/292265248.db2.gz OLNAAMOXRDCZJO-UHFFFAOYSA-N 1 2 343.408 2.124 20 30 EEEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCOc1ccccc1C#N ZINC000374295417 154038050 /nfs/dbraw/zinc/03/80/50/154038050.db2.gz MJGRQKBHIUHUPR-MRXNPFEDSA-N 1 2 326.400 2.351 20 30 EEEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCOc1ccccc1C#N ZINC000374295417 154038058 /nfs/dbraw/zinc/03/80/58/154038058.db2.gz MJGRQKBHIUHUPR-MRXNPFEDSA-N 1 2 326.400 2.351 20 30 EEEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000374297791 154038847 /nfs/dbraw/zinc/03/88/47/154038847.db2.gz RMQXYPZLRLKQLI-IRXDYDNUSA-N 1 2 326.400 2.005 20 30 EEEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000374297791 154038854 /nfs/dbraw/zinc/03/88/54/154038854.db2.gz RMQXYPZLRLKQLI-IRXDYDNUSA-N 1 2 326.400 2.005 20 30 EEEDLO CC(C)CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101558342 159252483 /nfs/dbraw/zinc/25/24/83/159252483.db2.gz SADWUJNPNKUSQI-OAHLLOKOSA-N 1 2 346.450 2.370 20 30 EEEDLO Cn1ncc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)c1C#N ZINC000346016715 161350397 /nfs/dbraw/zinc/35/03/97/161350397.db2.gz NTEJPHZYNCEZCM-UHFFFAOYSA-N 1 2 331.339 2.254 20 30 EEEDLO CCc1[nH+]c2ccccc2n1CC(=O)NCC(=O)c1ccc(C#N)cc1 ZINC000356166484 163355540 /nfs/dbraw/zinc/35/55/40/163355540.db2.gz PXCASDRCLYWMJG-UHFFFAOYSA-N 1 2 346.390 2.469 20 30 EEEDLO Cc1cnn([C@@H]2CC[N@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)c1 ZINC000368080649 166047265 /nfs/dbraw/zinc/04/72/65/166047265.db2.gz GJMXSZSWBOQLMH-CQSZACIVSA-N 1 2 327.388 2.159 20 30 EEEDLO Cc1cnn([C@@H]2CC[N@@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)c1 ZINC000368080649 166047268 /nfs/dbraw/zinc/04/72/68/166047268.db2.gz GJMXSZSWBOQLMH-CQSZACIVSA-N 1 2 327.388 2.159 20 30 EEEDLO N#Cc1cnc2ccccc2c1N1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000330101738 270018998 /nfs/dbraw/zinc/01/89/98/270018998.db2.gz FKRBOUVKZYPANE-QGZVFWFLSA-N 1 2 335.411 2.347 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)nc1 ZINC000283413633 268118018 /nfs/dbraw/zinc/11/80/18/268118018.db2.gz FNUGQAYSQCYAJO-UHFFFAOYSA-N 1 2 341.346 2.323 20 30 EEEDLO N#Cc1ccc(OC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000286530670 268165112 /nfs/dbraw/zinc/16/51/12/268165112.db2.gz CGDQRSPCUVQMTO-UHFFFAOYSA-N 1 2 342.374 2.423 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnc4[nH]ccc4c3)CC2)cc1 ZINC000449125494 268220341 /nfs/dbraw/zinc/22/03/41/268220341.db2.gz JMEWVGKQGOLOBZ-UHFFFAOYSA-N 1 2 345.406 2.344 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000444735401 268241688 /nfs/dbraw/zinc/24/16/88/268241688.db2.gz ZVAVPIZERJGTMX-SWLSCSKDSA-N 1 2 341.333 2.132 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000444735401 268241690 /nfs/dbraw/zinc/24/16/90/268241690.db2.gz ZVAVPIZERJGTMX-SWLSCSKDSA-N 1 2 341.333 2.132 20 30 EEEDLO N#Cc1cccc(N2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)n1 ZINC000339219434 268261548 /nfs/dbraw/zinc/26/15/48/268261548.db2.gz XFFXUPFJXASHID-UHFFFAOYSA-N 1 2 346.394 2.325 20 30 EEEDLO N#Cc1ccnc(N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)n1 ZINC000295658947 268295435 /nfs/dbraw/zinc/29/54/35/268295435.db2.gz HWFACOPZDNUUAO-OAHLLOKOSA-N 1 2 336.399 2.001 20 30 EEEDLO Cc1cc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)ccc1C#N ZINC000278118301 269208740 /nfs/dbraw/zinc/20/87/40/269208740.db2.gz XXWYIZDFKHTPLA-OAHLLOKOSA-N 1 2 333.413 2.041 20 30 EEEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1c(F)cc(C#N)cc1F ZINC000279283679 269267054 /nfs/dbraw/zinc/26/70/54/269267054.db2.gz KSDFFRRFZDHRLH-UHFFFAOYSA-N 1 2 337.370 2.019 20 30 EEEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1c(F)cc(C#N)cc1F ZINC000279283679 269267055 /nfs/dbraw/zinc/26/70/55/269267055.db2.gz KSDFFRRFZDHRLH-UHFFFAOYSA-N 1 2 337.370 2.019 20 30 EEEDLO Cc1oc(C#N)cc1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000280666667 269384017 /nfs/dbraw/zinc/38/40/17/269384017.db2.gz XZDWDWZGIQISTP-GOSISDBHSA-N 1 2 339.395 2.263 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000369347836 278781575 /nfs/dbraw/zinc/78/15/75/278781575.db2.gz GOCPXJQLTJNGQB-OAHLLOKOSA-N 1 2 344.440 2.169 20 30 EEEDLO C[C@H]1Cc2ccccc2C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343803343 280028215 /nfs/dbraw/zinc/02/82/15/280028215.db2.gz XDRDRMCNIIGILG-AWEZNQCLSA-N 1 2 341.436 2.174 20 30 EEEDLO C[C@H]1Cc2ccccc2C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343803343 280028217 /nfs/dbraw/zinc/02/82/17/280028217.db2.gz XDRDRMCNIIGILG-AWEZNQCLSA-N 1 2 341.436 2.174 20 30 EEEDLO Cc1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1C#N ZINC000377319087 281234339 /nfs/dbraw/zinc/23/43/39/281234339.db2.gz ZINSYJYKVCGDPM-GOSISDBHSA-N 1 2 348.406 2.108 20 30 EEEDLO Cc1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1C#N ZINC000377319087 281234342 /nfs/dbraw/zinc/23/43/42/281234342.db2.gz ZINSYJYKVCGDPM-GOSISDBHSA-N 1 2 348.406 2.108 20 30 EEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C#N)c(Cl)c1 ZINC000552640608 318513861 /nfs/dbraw/zinc/51/38/61/318513861.db2.gz OZBAYVHFLXLMSG-IUODEOHRSA-N 1 2 333.819 2.147 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)Nc3cccnc3)CC2)no1 ZINC000328621479 465076081 /nfs/dbraw/zinc/07/60/81/465076081.db2.gz ANNJREPNAOVFTN-OAHLLOKOSA-N 1 2 344.419 2.305 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)Nc3cccnc3)CC2)no1 ZINC000328621479 465076088 /nfs/dbraw/zinc/07/60/88/465076088.db2.gz ANNJREPNAOVFTN-OAHLLOKOSA-N 1 2 344.419 2.305 20 30 EEEDLO C[N@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCNC1=O ZINC000328818713 465138341 /nfs/dbraw/zinc/13/83/41/465138341.db2.gz HTUZAPZVVXCYDB-UDMGLPGGSA-N 1 2 348.447 2.486 20 30 EEEDLO C[N@@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCNC1=O ZINC000328818713 465138344 /nfs/dbraw/zinc/13/83/44/465138344.db2.gz HTUZAPZVVXCYDB-UDMGLPGGSA-N 1 2 348.447 2.486 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)nc1 ZINC000339211674 465144054 /nfs/dbraw/zinc/14/40/54/465144054.db2.gz YJSUPENMTXEUAC-HNNXBMFYSA-N 1 2 340.339 2.220 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)nc1 ZINC000339211674 465144059 /nfs/dbraw/zinc/14/40/59/465144059.db2.gz YJSUPENMTXEUAC-HNNXBMFYSA-N 1 2 340.339 2.220 20 30 EEEDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)N[C@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000328962077 465183559 /nfs/dbraw/zinc/18/35/59/465183559.db2.gz KZWHQMQKZFXAJU-BBWFWOEESA-N 1 2 342.443 2.323 20 30 EEEDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)N[C@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000328962077 465183561 /nfs/dbraw/zinc/18/35/61/465183561.db2.gz KZWHQMQKZFXAJU-BBWFWOEESA-N 1 2 342.443 2.323 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCSC3)CC2)cc1 ZINC000351515070 465196976 /nfs/dbraw/zinc/19/69/76/465196976.db2.gz RRXXPQDICHAUSY-QGZVFWFLSA-N 1 2 329.469 2.346 20 30 EEEDLO COCc1ccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)o1 ZINC000355188504 465231230 /nfs/dbraw/zinc/23/12/30/465231230.db2.gz NOFIDODXPJZRJL-YJYMSZOUSA-N 1 2 337.379 2.271 20 30 EEEDLO COCc1ccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)o1 ZINC000355188504 465231236 /nfs/dbraw/zinc/23/12/36/465231236.db2.gz NOFIDODXPJZRJL-YJYMSZOUSA-N 1 2 337.379 2.271 20 30 EEEDLO Cn1cc(C[NH+]2CCN(CC(=O)NCC3CCCCC3)CC2)cn1 ZINC000329154107 465249692 /nfs/dbraw/zinc/24/96/92/465249692.db2.gz UOAJYAIRUIDMEW-UHFFFAOYSA-N 1 2 333.480 2.075 20 30 EEEDLO Cn1cc(CN2CC[NH+](CC(=O)NCC3CCCCC3)CC2)cn1 ZINC000329154107 465249696 /nfs/dbraw/zinc/24/96/96/465249696.db2.gz UOAJYAIRUIDMEW-UHFFFAOYSA-N 1 2 333.480 2.075 20 30 EEEDLO O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)N1CCn2cc[nH+]c2C1 ZINC000329185649 465261175 /nfs/dbraw/zinc/26/11/75/465261175.db2.gz ANPLPGBIZOAURU-GDBMZVCRSA-N 1 2 348.353 2.421 20 30 EEEDLO N#Cc1cc(Cl)ccc1Cn1c2ccccc2[nH+]c1NCCO ZINC000358687538 465265727 /nfs/dbraw/zinc/26/57/27/465265727.db2.gz JIXRLBXQDMCLJL-UHFFFAOYSA-N 1 2 326.787 3.014 20 30 EEEDLO C=CC[C@H](CO)CNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000341864740 465270487 /nfs/dbraw/zinc/27/04/87/465270487.db2.gz CNFHTTKTPFADGS-KRWDZBQOSA-N 1 2 346.475 2.446 20 30 EEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000568105278 468274623 /nfs/dbraw/zinc/27/46/23/468274623.db2.gz QXENFENFQGTTTI-HNNXBMFYSA-N 1 2 330.432 2.389 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000496497997 468288003 /nfs/dbraw/zinc/28/80/03/468288003.db2.gz HBIZHTZKFMDSPT-CYBMUJFWSA-N 1 2 346.431 2.342 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000496497997 468288005 /nfs/dbraw/zinc/28/80/05/468288005.db2.gz HBIZHTZKFMDSPT-CYBMUJFWSA-N 1 2 346.431 2.342 20 30 EEEDLO C[C@@H](C#N)CN(C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000045532787 462595750 /nfs/dbraw/zinc/59/57/50/462595750.db2.gz MGCTTZTWINIABG-HNNXBMFYSA-N 1 2 325.416 2.275 20 30 EEEDLO C=CCOc1ccc(C(=O)NCCNc2cccc[nH+]2)cc1OC ZINC000063706046 462663960 /nfs/dbraw/zinc/66/39/60/462663960.db2.gz IDZIISALGQRSAT-UHFFFAOYSA-N 1 2 327.384 2.497 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000007459090 462736939 /nfs/dbraw/zinc/73/69/39/462736939.db2.gz BSXMSHBKSKOMQE-UHFFFAOYSA-N 1 2 333.457 2.101 20 30 EEEDLO COCC[N@H+](CCCS(=O)(=O)C(C)C)Cc1ccc(C#N)cc1 ZINC000119134968 462877636 /nfs/dbraw/zinc/87/76/36/462877636.db2.gz SDXOGGMHUAJIOC-UHFFFAOYSA-N 1 2 338.473 2.220 20 30 EEEDLO COCC[N@@H+](CCCS(=O)(=O)C(C)C)Cc1ccc(C#N)cc1 ZINC000119134968 462877639 /nfs/dbraw/zinc/87/76/39/462877639.db2.gz SDXOGGMHUAJIOC-UHFFFAOYSA-N 1 2 338.473 2.220 20 30 EEEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000133828805 462975536 /nfs/dbraw/zinc/97/55/36/462975536.db2.gz ILWKLAUTPCQUCG-UHFFFAOYSA-N 1 2 330.819 2.354 20 30 EEEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000133828805 462975541 /nfs/dbraw/zinc/97/55/41/462975541.db2.gz ILWKLAUTPCQUCG-UHFFFAOYSA-N 1 2 330.819 2.354 20 30 EEEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000051292661 463031256 /nfs/dbraw/zinc/03/12/56/463031256.db2.gz LRAILYAUALZXAV-UHFFFAOYSA-N 1 2 335.407 2.395 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)N3CCCCCC3)CC2)cc1 ZINC000023257821 463063293 /nfs/dbraw/zinc/06/32/93/463063293.db2.gz BCVIHIJNQIBBDC-UHFFFAOYSA-N 1 2 340.471 2.078 20 30 EEEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)cc1 ZINC000023257821 463063298 /nfs/dbraw/zinc/06/32/98/463063298.db2.gz BCVIHIJNQIBBDC-UHFFFAOYSA-N 1 2 340.471 2.078 20 30 EEEDLO N#Cc1ccc(NC(=O)NCC[NH+]2CCOCC2)cc1C(F)(F)F ZINC000078938100 463168679 /nfs/dbraw/zinc/16/86/79/463168679.db2.gz UZZRRRJQWCEGFF-UHFFFAOYSA-N 1 2 342.321 2.031 20 30 EEEDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000135553354 463174276 /nfs/dbraw/zinc/17/42/76/463174276.db2.gz YHHKPFCPXWUXMJ-HNNXBMFYSA-N 1 2 329.448 2.072 20 30 EEEDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000135553354 463174279 /nfs/dbraw/zinc/17/42/79/463174279.db2.gz YHHKPFCPXWUXMJ-HNNXBMFYSA-N 1 2 329.448 2.072 20 30 EEEDLO COC(=O)c1cc(C[N@H+](C)CC(=O)NC2(C#N)CCCCC2)oc1C ZINC000053815622 463192088 /nfs/dbraw/zinc/19/20/88/463192088.db2.gz RBKQDRGQZQMGAU-UHFFFAOYSA-N 1 2 347.415 2.149 20 30 EEEDLO COC(=O)c1cc(C[N@@H+](C)CC(=O)NC2(C#N)CCCCC2)oc1C ZINC000053815622 463192091 /nfs/dbraw/zinc/19/20/91/463192091.db2.gz RBKQDRGQZQMGAU-UHFFFAOYSA-N 1 2 347.415 2.149 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000069353922 463234588 /nfs/dbraw/zinc/23/45/88/463234588.db2.gz YECOEAONLYOZSH-MJGOQNOKSA-N 1 2 346.471 2.466 20 30 EEEDLO N#Cc1ccc(OC2C[NH+](C[C@@H](O)COCc3ccccc3)C2)cc1 ZINC000158567665 463241965 /nfs/dbraw/zinc/24/19/65/463241965.db2.gz ZBDVFMTXXHWLPN-GOSISDBHSA-N 1 2 338.407 2.199 20 30 EEEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000158762814 463250918 /nfs/dbraw/zinc/25/09/18/463250918.db2.gz LSYIZDNTBHWGPM-BLGFXRMMSA-N 1 2 349.438 2.153 20 30 EEEDLO CC[N@@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)C[C@H](C)C#N ZINC000140420073 463341473 /nfs/dbraw/zinc/34/14/73/463341473.db2.gz WLAVCZNWVOGNNP-CYBMUJFWSA-N 1 2 339.386 2.428 20 30 EEEDLO CC[N@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)C[C@H](C)C#N ZINC000140420073 463341481 /nfs/dbraw/zinc/34/14/81/463341481.db2.gz WLAVCZNWVOGNNP-CYBMUJFWSA-N 1 2 339.386 2.428 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)cn1)c1ccc(F)cc1 ZINC000522111104 468354327 /nfs/dbraw/zinc/35/43/27/468354327.db2.gz GTIUMRGDBQEDFG-INIZCTEOSA-N 1 2 335.342 2.345 20 30 EEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000080904228 463365105 /nfs/dbraw/zinc/36/51/05/463365105.db2.gz DLCUDQVUQVKSMZ-HXUWFJFHSA-N 1 2 348.450 2.185 20 30 EEEDLO N#CCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000071539560 463418240 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C#CC[NH+]1CCN(Cn2ncn(-c3cccc(Cl)c3)c2=S)CC1 ZINC000044756590 463692964 /nfs/dbraw/zinc/69/29/64/463692964.db2.gz GHABVAULXVWPBY-UHFFFAOYSA-N 1 2 347.875 2.265 20 30 EEEDLO C[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000170919112 463742928 /nfs/dbraw/zinc/74/29/28/463742928.db2.gz NOHSYQJCBNQHOD-KBPBESRZSA-N 1 2 347.463 2.345 20 30 EEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC(=O)N(C)Cc1ccccc1F ZINC000177612758 463749635 /nfs/dbraw/zinc/74/96/35/463749635.db2.gz FQAILSOOKWAXAR-ZDUSSCGKSA-N 1 2 339.411 2.134 20 30 EEEDLO C=CCOc1ccccc1C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000185415198 463819584 /nfs/dbraw/zinc/81/95/84/463819584.db2.gz QYDOYUTVAMVZBL-UHFFFAOYSA-N 1 2 338.411 2.312 20 30 EEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000277626652 463923377 /nfs/dbraw/zinc/92/33/77/463923377.db2.gz ATVRWKNEAPKXJQ-ZDUSSCGKSA-N 1 2 332.835 2.024 20 30 EEEDLO CN1CC[N@H+](C)[C@H](CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC000287605001 463942743 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/nfs/dbraw/zinc/23/94/68/464239468.db2.gz BCEGQGICAGIUPU-QLFBSQMISA-N 1 2 346.431 2.208 20 30 EEEDLO C[C@H](O)C[N@@H+]1CCN(c2ccc(C#N)cc2Br)C[C@@H]1C ZINC000270395934 464253188 /nfs/dbraw/zinc/25/31/88/464253188.db2.gz UHBFWFGUCSQWKV-RYUDHWBXSA-N 1 2 338.249 2.212 20 30 EEEDLO C[C@H](O)C[N@H+]1CCN(c2ccc(C#N)cc2Br)C[C@@H]1C ZINC000270395934 464253192 /nfs/dbraw/zinc/25/31/92/464253192.db2.gz UHBFWFGUCSQWKV-RYUDHWBXSA-N 1 2 338.249 2.212 20 30 EEEDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180226024 464269492 /nfs/dbraw/zinc/26/94/92/464269492.db2.gz JEUCEPKZMOUXAK-QGZVFWFLSA-N 1 2 337.427 2.059 20 30 EEEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180226024 464269498 /nfs/dbraw/zinc/26/94/98/464269498.db2.gz JEUCEPKZMOUXAK-QGZVFWFLSA-N 1 2 337.427 2.059 20 30 EEEDLO Cc1cc(NC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1CCC#N ZINC000271095313 464280110 /nfs/dbraw/zinc/28/01/10/464280110.db2.gz WBKCGAKVKCWPKK-UXLLHSPISA-N 1 2 347.463 2.178 20 30 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341.436 2.063 20 30 EEEDLO C[C@](C#N)(NC(=O)CN1CCc2c([nH+]cn2-c2ccccc2)C1)C1CC1 ZINC000272537275 464650973 /nfs/dbraw/zinc/65/09/73/464650973.db2.gz NEZUXHBDVFJXIX-HXUWFJFHSA-N 1 2 349.438 2.039 20 30 EEEDLO CO/N=C/c1ccc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)cc1 ZINC000272658639 464683814 /nfs/dbraw/zinc/68/38/14/464683814.db2.gz OGOFKFNSAJIDQI-ZNBBLSJYSA-N 1 2 330.388 2.499 20 30 EEEDLO CO/N=C/c1ccc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)cc1 ZINC000272658639 464683823 /nfs/dbraw/zinc/68/38/23/464683823.db2.gz OGOFKFNSAJIDQI-ZNBBLSJYSA-N 1 2 330.388 2.499 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nc(Cl)ccc1Cl ZINC000273201228 464708521 /nfs/dbraw/zinc/70/85/21/464708521.db2.gz RMMWFPRAPABFFT-UHFFFAOYSA-N 1 2 343.258 2.436 20 30 EEEDLO N#C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000248356630 464743936 /nfs/dbraw/zinc/74/39/36/464743936.db2.gz ONOXWXSDVRJAKF-MOPGFXCFSA-N 1 2 341.455 2.476 20 30 EEEDLO N#C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000248356630 464743943 /nfs/dbraw/zinc/74/39/43/464743943.db2.gz ONOXWXSDVRJAKF-MOPGFXCFSA-N 1 2 341.455 2.476 20 30 EEEDLO N#Cc1csc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000176874562 464871700 /nfs/dbraw/zinc/87/17/00/464871700.db2.gz YLMMCIKJVBSGOJ-UHFFFAOYSA-N 1 2 341.436 2.457 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000579871161 468427750 /nfs/dbraw/zinc/42/77/50/468427750.db2.gz JSCNBRHXTNHSEL-JKSUJKDBSA-N 1 2 329.400 2.375 20 30 EEEDLO C[C@H]1CN=C(N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)S1 ZINC000267464601 464933299 /nfs/dbraw/zinc/93/32/99/464933299.db2.gz ULMVUMHEKTYGEW-AWEZNQCLSA-N 1 2 330.457 2.198 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000579871161 468427759 /nfs/dbraw/zinc/42/77/59/468427759.db2.gz JSCNBRHXTNHSEL-JKSUJKDBSA-N 1 2 329.400 2.375 20 30 EEEDLO CC[C@@H]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000268323836 465016403 /nfs/dbraw/zinc/01/64/03/465016403.db2.gz LOFMQMYKHMESDK-MSOLQXFVSA-N 1 2 327.428 2.160 20 30 EEEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C1(C2CC2)CCOCC1 ZINC000329574740 465375956 /nfs/dbraw/zinc/37/59/56/465375956.db2.gz AVZGFGMVEWEPRA-UHFFFAOYSA-N 1 2 348.447 2.010 20 30 EEEDLO Cc1nc(CCNC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cs1 ZINC000329834729 465448035 /nfs/dbraw/zinc/44/80/35/465448035.db2.gz LTNKWPRAVRZZRR-IUODEOHRSA-N 1 2 349.460 2.151 20 30 EEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)N[C@H]1C=CCCC1 ZINC000329925753 465476869 /nfs/dbraw/zinc/47/68/69/465476869.db2.gz VRRJEDQMELOYJH-ULQDDVLXSA-N 1 2 349.454 2.287 20 30 EEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)N[C@H]1C=CCCC1 ZINC000329925753 465476874 /nfs/dbraw/zinc/47/68/74/465476874.db2.gz VRRJEDQMELOYJH-ULQDDVLXSA-N 1 2 349.454 2.287 20 30 EEEDLO Cn1c[nH+]cc1CNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000356776440 465532620 /nfs/dbraw/zinc/53/26/20/465532620.db2.gz JHPLCWODMCGGOI-UHFFFAOYSA-N 1 2 334.383 2.127 20 30 EEEDLO C[C@H]1C[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)C[C@H](C)S1=O ZINC000330101497 465533523 /nfs/dbraw/zinc/53/35/23/465533523.db2.gz FNGMBSQSTAYKGP-RYUDHWBXSA-N 1 2 338.429 2.235 20 30 EEEDLO C=CCOCC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000337711944 465534432 /nfs/dbraw/zinc/53/44/32/465534432.db2.gz FJNWWLXAZNJCSJ-MRXNPFEDSA-N 1 2 332.444 2.321 20 30 EEEDLO C=CCOCC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000337711944 465534436 /nfs/dbraw/zinc/53/44/36/465534436.db2.gz FJNWWLXAZNJCSJ-MRXNPFEDSA-N 1 2 332.444 2.321 20 30 EEEDLO C=CC[N@H+](CCc1ccco1)CC(=O)NCC(=O)c1ccccc1 ZINC000352700672 465549958 /nfs/dbraw/zinc/54/99/58/465549958.db2.gz VYSUHJSGWQLJBB-UHFFFAOYSA-N 1 2 326.396 2.309 20 30 EEEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)NCC(=O)c1ccccc1 ZINC000352700672 465549966 /nfs/dbraw/zinc/54/99/66/465549966.db2.gz VYSUHJSGWQLJBB-UHFFFAOYSA-N 1 2 326.396 2.309 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(CO)o1 ZINC000352867398 465561810 /nfs/dbraw/zinc/56/18/10/465561810.db2.gz JLEPEDATFRXQCI-UHFFFAOYSA-N 1 2 345.443 2.493 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(CO)o1 ZINC000352867398 465561812 /nfs/dbraw/zinc/56/18/12/465561812.db2.gz JLEPEDATFRXQCI-UHFFFAOYSA-N 1 2 345.443 2.493 20 30 EEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000330287223 465599987 /nfs/dbraw/zinc/59/99/87/465599987.db2.gz BCZCMUCAZNKDIQ-KXUCPTDWSA-N 1 2 330.310 2.452 20 30 EEEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1CCN(C(=O)N2CCCC2)CC1 ZINC000330287971 465600053 /nfs/dbraw/zinc/60/00/53/465600053.db2.gz BKVBHZJFRIHVHP-HNNXBMFYSA-N 1 2 345.447 2.082 20 30 EEEDLO COc1cccc(C(F)(F)CNCc2c[nH+]c3ccc(C#N)cn23)n1 ZINC000353083561 465625880 /nfs/dbraw/zinc/62/58/80/465625880.db2.gz HWKWIVUVOFZNPY-UHFFFAOYSA-N 1 2 343.337 2.491 20 30 EEEDLO Cn1cc(N2CC[C@@H]([N@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2=O)cn1 ZINC000362423874 465726105 /nfs/dbraw/zinc/72/61/05/465726105.db2.gz CXBJZTXLSDIPLT-LJQANCHMSA-N 1 2 347.422 2.186 20 30 EEEDLO Cn1cc(N2CC[C@@H]([N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2=O)cn1 ZINC000362423874 465726110 /nfs/dbraw/zinc/72/61/10/465726110.db2.gz CXBJZTXLSDIPLT-LJQANCHMSA-N 1 2 347.422 2.186 20 30 EEEDLO COCC1(C#N)CCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000357091416 465765690 /nfs/dbraw/zinc/76/56/90/465765690.db2.gz GEKVPPWDLCCNJB-CQSZACIVSA-N 1 2 344.459 2.417 20 30 EEEDLO COCC1(C#N)CCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000357091416 465765694 /nfs/dbraw/zinc/76/56/94/465765694.db2.gz GEKVPPWDLCCNJB-CQSZACIVSA-N 1 2 344.459 2.417 20 30 EEEDLO CCCCCCCCOCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366552079 465798269 /nfs/dbraw/zinc/79/82/69/465798269.db2.gz KNNUDAPHEAVDTO-KRWDZBQOSA-N 1 2 326.481 2.297 20 30 EEEDLO C=C(C)CN(C)C(=O)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000344904017 465799480 /nfs/dbraw/zinc/79/94/80/465799480.db2.gz VHJMSGSGPVKCKB-CQSZACIVSA-N 1 2 326.400 2.084 20 30 EEEDLO N#Cc1ccc(CC(=O)N(CC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000299581974 465810706 /nfs/dbraw/zinc/81/07/06/465810706.db2.gz BZGNLNIILDCCLX-UHFFFAOYSA-N 1 2 349.434 2.466 20 30 EEEDLO CCc1c[nH+]ccc1NC(=O)[C@@H](NC(=O)N1CCCC1)[C@H](C)CC ZINC000330844150 465827019 /nfs/dbraw/zinc/82/70/19/465827019.db2.gz UKGYYWIWIJADTP-CJNGLKHVSA-N 1 2 332.448 2.429 20 30 EEEDLO CN(C)c1ccc(CNS(=O)(=O)CC2(C#N)CCCCC2)c[nH+]1 ZINC000330863887 465835487 /nfs/dbraw/zinc/83/54/87/465835487.db2.gz BADVHUOUWVTKMV-UHFFFAOYSA-N 1 2 336.461 2.041 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000366677486 465872563 /nfs/dbraw/zinc/87/25/63/465872563.db2.gz ISBAYNAMBINODS-YOEHRIQHSA-N 1 2 332.448 2.342 20 30 EEEDLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000340319074 465986852 /nfs/dbraw/zinc/98/68/52/465986852.db2.gz RYAHETYQFHIQRL-NSHDSACASA-N 1 2 348.472 2.018 20 30 EEEDLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000340319074 465986860 /nfs/dbraw/zinc/98/68/60/465986860.db2.gz RYAHETYQFHIQRL-NSHDSACASA-N 1 2 348.472 2.018 20 30 EEEDLO COc1ccc(C[NH+]2CCN(CCC#N)CC2)c(Br)c1 ZINC000591473412 468475305 /nfs/dbraw/zinc/47/53/05/468475305.db2.gz PWYYJYMBZACWGQ-UHFFFAOYSA-N 1 2 338.249 2.489 20 30 EEEDLO Cc1nc(C)n(C[C@H]2C[N@H+]([C@H](C)c3cccc(C#N)c3)CCO2)n1 ZINC000331747696 466229617 /nfs/dbraw/zinc/22/96/17/466229617.db2.gz XZYNBLLAWUPJKC-FZKQIMNGSA-N 1 2 325.416 2.229 20 30 EEEDLO Cc1nc(C)n(C[C@H]2C[N@@H+]([C@H](C)c3cccc(C#N)c3)CCO2)n1 ZINC000331747696 466229630 /nfs/dbraw/zinc/22/96/30/466229630.db2.gz XZYNBLLAWUPJKC-FZKQIMNGSA-N 1 2 325.416 2.229 20 30 EEEDLO COC(=O)COc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1[N+](=O)[O-] ZINC000354019064 466330227 /nfs/dbraw/zinc/33/02/27/466330227.db2.gz UBMGETZSSPSQCP-UHFFFAOYSA-N 1 2 335.360 2.128 20 30 EEEDLO COC(=O)COc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1[N+](=O)[O-] ZINC000354019064 466330232 /nfs/dbraw/zinc/33/02/32/466330232.db2.gz UBMGETZSSPSQCP-UHFFFAOYSA-N 1 2 335.360 2.128 20 30 EEEDLO Cc1oc(C#N)cc1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000332144806 466410696 /nfs/dbraw/zinc/41/06/96/466410696.db2.gz NEVYMCVZMOAHJD-UHFFFAOYSA-N 1 2 326.356 2.252 20 30 EEEDLO C=CCOc1cccnc1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000347163219 466442750 /nfs/dbraw/zinc/44/27/50/466442750.db2.gz IISFHXOREBEVKM-UHFFFAOYSA-N 1 2 326.400 2.451 20 30 EEEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C1(C#N)CCOCC1 ZINC000362020584 466488832 /nfs/dbraw/zinc/48/88/32/466488832.db2.gz PGBITUNMTDXJHJ-UHFFFAOYSA-N 1 2 338.411 2.210 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368331526 466597913 /nfs/dbraw/zinc/59/79/13/466597913.db2.gz DZDQZPCOVDYZGO-KBXIAJHMSA-N 1 2 345.468 2.189 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368331526 466597920 /nfs/dbraw/zinc/59/79/20/466597920.db2.gz DZDQZPCOVDYZGO-KBXIAJHMSA-N 1 2 345.468 2.189 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000376199219 466897091 /nfs/dbraw/zinc/89/70/91/466897091.db2.gz MIFMWMKDXLLDDG-OAHLLOKOSA-N 1 2 337.464 2.106 20 30 EEEDLO C=CCCn1cc(C(=O)NCc2ccc(N(CC)CC)[nH+]c2)nn1 ZINC000424594776 467073284 /nfs/dbraw/zinc/07/32/84/467073284.db2.gz QTKDJWNZHAHKEG-UHFFFAOYSA-N 1 2 328.420 2.025 20 30 EEEDLO Cc1cc(N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)c(C#N)c[nH+]1 ZINC000425240580 467089910 /nfs/dbraw/zinc/08/99/10/467089910.db2.gz YRKSXZYGUMPSHE-AOIWGVFYSA-N 1 2 332.407 2.253 20 30 EEEDLO Cn1c[nH+]c2cc(NS(=O)(=O)c3ccc(C#N)c(F)c3)ccc21 ZINC000427776777 467177564 /nfs/dbraw/zinc/17/75/64/467177564.db2.gz GKCKGWFLXBJNSS-UHFFFAOYSA-N 1 2 330.344 2.385 20 30 EEEDLO C=CC[N@@H+](CCC#N)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000428849252 467275184 /nfs/dbraw/zinc/27/51/84/467275184.db2.gz JZIUYXAHOHWKLM-UHFFFAOYSA-N 1 2 330.344 2.294 20 30 EEEDLO C=CC[N@H+](CCC#N)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000428849252 467275189 /nfs/dbraw/zinc/27/51/89/467275189.db2.gz JZIUYXAHOHWKLM-UHFFFAOYSA-N 1 2 330.344 2.294 20 30 EEEDLO C[N@H+](CC#Cc1ccc(Cl)cc1)Cc1ccccc1S(N)(=O)=O ZINC000432993285 467282716 /nfs/dbraw/zinc/28/27/16/467282716.db2.gz BPZANJXUTHITSE-UHFFFAOYSA-N 1 2 348.855 2.471 20 30 EEEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1ccccc1S(N)(=O)=O ZINC000432993285 467282719 /nfs/dbraw/zinc/28/27/19/467282719.db2.gz BPZANJXUTHITSE-UHFFFAOYSA-N 1 2 348.855 2.471 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)c1C ZINC000451984340 467294407 /nfs/dbraw/zinc/29/44/07/467294407.db2.gz DEKZCPHLGWTZNL-INIZCTEOSA-N 1 2 346.475 2.209 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)c1C ZINC000451984340 467294410 /nfs/dbraw/zinc/29/44/10/467294410.db2.gz DEKZCPHLGWTZNL-INIZCTEOSA-N 1 2 346.475 2.209 20 30 EEEDLO Cc1cccc(-c2nnc(SC[C@H](O)C[N@H+](C)CCC#N)n2C)c1 ZINC000414098322 467377307 /nfs/dbraw/zinc/37/73/07/467377307.db2.gz OOPHTTAQXLMJGQ-OAHLLOKOSA-N 1 2 345.472 2.089 20 30 EEEDLO Cc1cccc(-c2nnc(SC[C@H](O)C[N@@H+](C)CCC#N)n2C)c1 ZINC000414098322 467377311 /nfs/dbraw/zinc/37/73/11/467377311.db2.gz OOPHTTAQXLMJGQ-OAHLLOKOSA-N 1 2 345.472 2.089 20 30 EEEDLO COc1cc(Br)ccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414130410 467381210 /nfs/dbraw/zinc/38/12/10/467381210.db2.gz WYSLOOPWIXBBEA-LBPRGKRZSA-N 1 2 343.221 2.043 20 30 EEEDLO COc1cc(Br)ccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414130410 467381214 /nfs/dbraw/zinc/38/12/14/467381214.db2.gz WYSLOOPWIXBBEA-LBPRGKRZSA-N 1 2 343.221 2.043 20 30 EEEDLO Cc1cccc([C@H](CNC(=O)[C@@]2(C#N)C[C@H]2C)[NH+]2CCOCC2)c1 ZINC000448694620 467599625 /nfs/dbraw/zinc/59/96/25/467599625.db2.gz OIPLFGRZMMDILD-HHXXYDBFSA-N 1 2 327.428 2.034 20 30 EEEDLO N#Cc1cccc(NCc2cc[nH+]c(N3CCOCC3)c2)c1[N+](=O)[O-] ZINC000450243152 467806925 /nfs/dbraw/zinc/80/69/25/467806925.db2.gz BLVCZUBYALZFQN-UHFFFAOYSA-N 1 2 339.355 2.310 20 30 EEEDLO C=CCC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)OCC ZINC000497299655 467928281 /nfs/dbraw/zinc/92/82/81/467928281.db2.gz RQOMJPYKCAQDGU-KGLIPLIRSA-N 1 2 326.437 2.483 20 30 EEEDLO C[C@H](SCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1nc2ccccc2[nH]1 ZINC000514604381 467942968 /nfs/dbraw/zinc/94/29/68/467942968.db2.gz DVLHHJYSRLQDGM-SJCJKPOMSA-N 1 2 345.472 2.317 20 30 EEEDLO C=C(CC)CNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000459084410 467947598 /nfs/dbraw/zinc/94/75/98/467947598.db2.gz UCGWKKVFIFRGAR-UHFFFAOYSA-N 1 2 327.432 2.128 20 30 EEEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000471828557 467977627 /nfs/dbraw/zinc/97/76/27/467977627.db2.gz XJCGDCBMGAHIFW-KRWDZBQOSA-N 1 2 331.460 2.495 20 30 EEEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000471828557 467977630 /nfs/dbraw/zinc/97/76/30/467977630.db2.gz XJCGDCBMGAHIFW-KRWDZBQOSA-N 1 2 331.460 2.495 20 30 EEEDLO Cc1ccc(C)n1-c1nc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cs1 ZINC000517804213 468098067 /nfs/dbraw/zinc/09/80/67/468098067.db2.gz IVFREQFMFUXNAB-KRWDZBQOSA-N 1 2 345.472 2.053 20 30 EEEDLO N#Cc1cccc(C(=O)NCc2[nH+]ccn2CCc2ccccc2)n1 ZINC000589445445 468151572 /nfs/dbraw/zinc/15/15/72/468151572.db2.gz BPHLIALSCYDFKT-UHFFFAOYSA-N 1 2 331.379 2.322 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1(C#N)CC1)c1cccc(F)c1 ZINC000577340255 468182618 /nfs/dbraw/zinc/18/26/18/468182618.db2.gz NIQIEZVORDSINK-AWEZNQCLSA-N 1 2 327.363 2.252 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nc(-c4ccccn4)no3)C2)nc1 ZINC000590005384 468203945 /nfs/dbraw/zinc/20/39/45/468203945.db2.gz GKVNJOVOGKTYSU-CQSZACIVSA-N 1 2 348.366 2.052 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nc(-c4ccccn4)no3)C2)nc1 ZINC000590005384 468203950 /nfs/dbraw/zinc/20/39/50/468203950.db2.gz GKVNJOVOGKTYSU-CQSZACIVSA-N 1 2 348.366 2.052 20 30 EEEDLO C[C@H](C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[NH+]1CC(C)C1 ZINC000578641664 468232715 /nfs/dbraw/zinc/23/27/15/468232715.db2.gz HRDYVDSHUQIRGF-GFCCVEGCSA-N 1 2 343.818 2.676 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(F)c(Br)c1 ZINC000582236587 468510302 /nfs/dbraw/zinc/51/03/02/468510302.db2.gz DABPROIFPKBDJX-NSHDSACASA-N 1 2 330.201 2.206 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(F)c(Br)c1 ZINC000582236587 468510305 /nfs/dbraw/zinc/51/03/05/468510305.db2.gz DABPROIFPKBDJX-NSHDSACASA-N 1 2 330.201 2.206 20 30 EEEDLO N#C[C@@]1(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CCSC1 ZINC000591815587 468525278 /nfs/dbraw/zinc/52/52/78/468525278.db2.gz RILXBLYFEZPFDO-PBHICJAKSA-N 1 2 326.425 2.447 20 30 EEEDLO CCOc1cccc2[nH]cc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c21 ZINC000582363263 468529756 /nfs/dbraw/zinc/52/97/56/468529756.db2.gz OTYPRCFOVJOYKU-GOSISDBHSA-N 1 2 328.416 2.069 20 30 EEEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000594303612 468547940 /nfs/dbraw/zinc/54/79/40/468547940.db2.gz ZDXNPYWPYQXEIX-VQIMIIECSA-N 1 2 341.455 2.060 20 30 EEEDLO C[C@@H](CC#N)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000597546626 468594642 /nfs/dbraw/zinc/59/46/42/468594642.db2.gz VVBIISKWOWTGST-GJZGRUSLSA-N 1 2 328.416 2.211 20 30 EEEDLO N#Cc1ccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)nc1 ZINC000597641996 468624207 /nfs/dbraw/zinc/62/42/07/468624207.db2.gz RPEGRUOZIMPVML-UHFFFAOYSA-N 1 2 341.440 2.188 20 30 EEEDLO COC(=O)c1cccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)n1 ZINC000558627998 468694304 /nfs/dbraw/zinc/69/43/04/468694304.db2.gz NLPUPZFRRKHCSL-UHFFFAOYSA-N 1 2 336.395 2.321 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000571139029 468743937 /nfs/dbraw/zinc/74/39/37/468743937.db2.gz WQZIDVLHJMTYII-WBVHZDCISA-N 1 2 326.400 2.405 20 30 EEEDLO CC(C)=CCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000595290723 468801594 /nfs/dbraw/zinc/80/15/94/468801594.db2.gz KWVBCCPTUKATED-UHFFFAOYSA-N 1 2 333.457 2.221 20 30 EEEDLO CCO[C@@H]1C[C@]([NH2+]CCc2ccc(C#N)cc2)(C(=O)OC)C1(C)C ZINC000595446909 468856705 /nfs/dbraw/zinc/85/67/05/468856705.db2.gz FCXNNMCEBWHCGH-APWZRJJASA-N 1 2 330.428 2.437 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc(Br)c(F)c1 ZINC000584414449 468867096 /nfs/dbraw/zinc/86/70/96/468867096.db2.gz UVELMQIDRDQWLG-AWEZNQCLSA-N 1 2 342.212 2.091 20 30 EEEDLO COC(=O)[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1CCC[C@H](OC)C1 ZINC000595563884 468904517 /nfs/dbraw/zinc/90/45/17/468904517.db2.gz OGBGMQGGVLMKGF-FGTMMUONSA-N 1 2 330.428 2.437 20 30 EEEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000595614906 468924030 /nfs/dbraw/zinc/92/40/30/468924030.db2.gz JMEGAFZSTIENFI-CQSZACIVSA-N 1 2 340.427 2.143 20 30 EEEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000595614906 468924034 /nfs/dbraw/zinc/92/40/34/468924034.db2.gz JMEGAFZSTIENFI-CQSZACIVSA-N 1 2 340.427 2.143 20 30 EEEDLO N#Cc1cccc(CC(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)c1 ZINC000601728987 468989191 /nfs/dbraw/zinc/98/91/91/468989191.db2.gz OPWQVDDGKSASII-UHFFFAOYSA-N 1 2 335.407 2.151 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1=O ZINC000562683813 469034508 /nfs/dbraw/zinc/03/45/08/469034508.db2.gz YALVPQVOTXXJSO-MRXNPFEDSA-N 1 2 338.411 2.068 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1=O ZINC000562683813 469034517 /nfs/dbraw/zinc/03/45/17/469034517.db2.gz YALVPQVOTXXJSO-MRXNPFEDSA-N 1 2 338.411 2.068 20 30 EEEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1I ZINC000602870863 469131387 /nfs/dbraw/zinc/13/13/87/469131387.db2.gz XYCAXHXPEYCYIH-SECBINFHSA-N 1 2 343.168 2.121 20 30 EEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000573621503 469173401 /nfs/dbraw/zinc/17/34/01/469173401.db2.gz BPCLCRYQBLVZLF-SNVBAGLBSA-N 1 2 335.429 2.244 20 30 EEEDLO N#CC1(NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)CCSCC1 ZINC000602126167 469202060 /nfs/dbraw/zinc/20/20/60/469202060.db2.gz NCCHYCHKVBNLGM-UHFFFAOYSA-N 1 2 328.397 2.097 20 30 EEEDLO N#Cc1ccncc1N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000611281228 469219102 /nfs/dbraw/zinc/21/91/02/469219102.db2.gz SJYDIFUABSIOSC-SFHVURJKSA-N 1 2 342.830 2.462 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](OCCO)C2)c1C#N ZINC000611347149 469232163 /nfs/dbraw/zinc/23/21/63/469232163.db2.gz KOAVDYKMQWAVKY-QGZVFWFLSA-N 1 2 340.427 2.026 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](OCCO)C2)c1C#N ZINC000611347149 469232170 /nfs/dbraw/zinc/23/21/70/469232170.db2.gz KOAVDYKMQWAVKY-QGZVFWFLSA-N 1 2 340.427 2.026 20 30 EEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N(C)CC(=O)Nc1ccccc1SC ZINC000563365411 469237765 /nfs/dbraw/zinc/23/77/65/469237765.db2.gz CNWVMPDBRMTMOB-ZDUSSCGKSA-N 1 2 348.472 2.087 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1N(C[C@H](O)COc2ccccc2C#N)CC1(C)C ZINC000599433632 469253849 /nfs/dbraw/zinc/25/38/49/469253849.db2.gz JPJKVWYXFURUBC-DOTOQJQBSA-N 1 2 340.427 2.115 20 30 EEEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H](C)CO1 ZINC000596453752 469270682 /nfs/dbraw/zinc/27/06/82/469270682.db2.gz NDCKXVQYJRWQLN-KBPBESRZSA-N 1 2 347.463 2.345 20 30 EEEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H](C)CO1 ZINC000596453752 469270688 /nfs/dbraw/zinc/27/06/88/469270688.db2.gz NDCKXVQYJRWQLN-KBPBESRZSA-N 1 2 347.463 2.345 20 30 EEEDLO N#Cc1cc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)ccn1 ZINC000603140462 469278704 /nfs/dbraw/zinc/27/87/04/469278704.db2.gz VFMSUVVGIRXAJV-UHFFFAOYSA-N 1 2 327.413 2.364 20 30 EEEDLO COC1CC[NH+](Cc2cn([C@H](C)c3ccc(C#N)cc3)nn2)CC1 ZINC000603227506 469316275 /nfs/dbraw/zinc/31/62/75/469316275.db2.gz LMLZQXCRNOQGMQ-CQSZACIVSA-N 1 2 325.416 2.370 20 30 EEEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cccc(F)c2N)CC1 ZINC000602443941 469319407 /nfs/dbraw/zinc/31/94/07/469319407.db2.gz BSYOIGAVBUOIRS-UHFFFAOYSA-N 1 2 341.390 2.467 20 30 EEEDLO C=C[C@H](C(=O)OC)n1cc(Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000603238830 469319430 /nfs/dbraw/zinc/31/94/30/469319430.db2.gz ZDCVVXFHMWMKDZ-OAHLLOKOSA-N 1 2 325.372 2.193 20 30 EEEDLO Cn1ncc2c1nc(C[N@H+](Cc1ccc(C#N)cc1)C1CC1)[nH]c2=O ZINC000604492690 469483355 /nfs/dbraw/zinc/48/33/55/469483355.db2.gz MFSPIFCRKXFAFZ-UHFFFAOYSA-N 1 2 334.383 2.105 20 30 EEEDLO Cn1ncc2c1nc(C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)[nH]c2=O ZINC000604492690 469483358 /nfs/dbraw/zinc/48/33/58/469483358.db2.gz MFSPIFCRKXFAFZ-UHFFFAOYSA-N 1 2 334.383 2.105 20 30 EEEDLO COCCN(CCC#N)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000619434635 469604803 /nfs/dbraw/zinc/60/48/03/469604803.db2.gz KVGNSYKSASGCJF-UHFFFAOYSA-N 1 2 336.342 2.012 20 30 EEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000619718843 469669451 /nfs/dbraw/zinc/66/94/51/469669451.db2.gz CGVPQULUTPKKOB-HNNXBMFYSA-N 1 2 332.400 2.073 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000609112545 469890929 /nfs/dbraw/zinc/89/09/29/469890929.db2.gz KUUATIPSBJCOIJ-GOSISDBHSA-N 1 2 337.427 2.320 20 30 EEEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000609457068 469929052 /nfs/dbraw/zinc/92/90/52/469929052.db2.gz IOPPGTKBBMSSSV-GOSISDBHSA-N 1 2 337.427 2.178 20 30 EEEDLO CCn1cc(C[N@H+](C)CC(=O)N(CCC#N)c2ccccc2)cn1 ZINC000609614126 469947948 /nfs/dbraw/zinc/94/79/48/469947948.db2.gz KZWLMHGUCUKFCL-UHFFFAOYSA-N 1 2 325.416 2.282 20 30 EEEDLO CCn1cc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)cn1 ZINC000609614126 469947954 /nfs/dbraw/zinc/94/79/54/469947954.db2.gz KZWLMHGUCUKFCL-UHFFFAOYSA-N 1 2 325.416 2.282 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN(C)C[C@H]1Cc1ccccc1 ZINC000649830746 470713072 /nfs/dbraw/zinc/71/30/72/470713072.db2.gz JKYXXUQWJLZVNL-LJQANCHMSA-N 1 2 329.488 2.270 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN(C)C[C@H]1Cc1ccccc1 ZINC000649830746 470713076 /nfs/dbraw/zinc/71/30/76/470713076.db2.gz JKYXXUQWJLZVNL-LJQANCHMSA-N 1 2 329.488 2.270 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N(CC)C2CCCCC2)nn1 ZINC000640827111 471050754 /nfs/dbraw/zinc/05/07/54/471050754.db2.gz MAKZQJCIWDFGGD-OAHLLOKOSA-N 1 2 331.464 2.133 20 30 EEEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@H](CCC)c2ccccc2)nn1 ZINC000640855212 471069999 /nfs/dbraw/zinc/06/99/99/471069999.db2.gz QVMCMIGWVVRGFB-GOSISDBHSA-N 1 2 339.443 2.049 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2cc(F)ccc2C)nn1 ZINC000640905954 471109599 /nfs/dbraw/zinc/10/95/99/471109599.db2.gz OSDNPGCZGXKQFF-CYBMUJFWSA-N 1 2 329.379 2.038 20 30 EEEDLO C=CCCn1cc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)nn1 ZINC000653484173 471634533 /nfs/dbraw/zinc/63/45/33/471634533.db2.gz WBNKGBVTCWTXRA-UHFFFAOYSA-N 1 2 325.416 2.118 20 30 EEEDLO C=CCCn1cc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)nn1 ZINC000653484173 471634538 /nfs/dbraw/zinc/63/45/38/471634538.db2.gz WBNKGBVTCWTXRA-UHFFFAOYSA-N 1 2 325.416 2.118 20 30 EEEDLO C=CCCn1cc(C[NH+]2CCC(Oc3ncccc3F)CC2)nn1 ZINC000653648147 471700267 /nfs/dbraw/zinc/70/02/67/471700267.db2.gz GLRPMHILWQEQDW-UHFFFAOYSA-N 1 2 331.395 2.432 20 30 EEEDLO C=CCN(C(=O)NCCc1cn2cccc(C)c2[nH+]1)[C@H](C)COC ZINC000664290571 471707441 /nfs/dbraw/zinc/70/74/41/471707441.db2.gz KKHFDDWFNSSETA-OAHLLOKOSA-N 1 2 330.432 2.418 20 30 EEEDLO COCC#CC[NH+]1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000677817636 486500015 /nfs/dbraw/zinc/50/00/15/486500015.db2.gz OFGCWRAMAREDCV-AWEZNQCLSA-N 1 2 346.456 2.127 20 30 EEEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000016637714 525919936 /nfs/dbraw/zinc/91/99/36/525919936.db2.gz CSOOMEHIWZXDJG-OAHLLOKOSA-N 1 2 336.395 2.069 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(CC)cc2)CC1 ZINC000339002067 526771022 /nfs/dbraw/zinc/77/10/22/526771022.db2.gz IXQQKSVXVPHRJL-KRWDZBQOSA-N 1 2 346.471 2.363 20 30 EEEDLO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191776636 526854628 /nfs/dbraw/zinc/85/46/28/526854628.db2.gz BNSKJALMCMTVDI-CQSZACIVSA-N 1 2 336.233 2.421 20 30 EEEDLO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191776636 526854638 /nfs/dbraw/zinc/85/46/38/526854638.db2.gz BNSKJALMCMTVDI-CQSZACIVSA-N 1 2 336.233 2.421 20 30 EEEDLO C=CCOc1ccc(C[N@H+](Cc2nc(N)nc(N)n2)C(C)(C)C)cc1 ZINC000131800676 526863544 /nfs/dbraw/zinc/86/35/44/526863544.db2.gz GKOFNFSOCUXJSU-UHFFFAOYSA-N 1 2 342.447 2.402 20 30 EEEDLO C=CCOc1ccc(C[N@@H+](Cc2nc(N)nc(N)n2)C(C)(C)C)cc1 ZINC000131800676 526863549 /nfs/dbraw/zinc/86/35/49/526863549.db2.gz GKOFNFSOCUXJSU-UHFFFAOYSA-N 1 2 342.447 2.402 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(C(=O)OC)c(C)o2)c1 ZINC000097475897 527450393 /nfs/dbraw/zinc/45/03/93/527450393.db2.gz XPRJACCAFUKEGZ-UHFFFAOYSA-N 1 2 340.379 2.426 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(C(=O)OC)c(C)o2)c1 ZINC000097475897 527450399 /nfs/dbraw/zinc/45/03/99/527450399.db2.gz XPRJACCAFUKEGZ-UHFFFAOYSA-N 1 2 340.379 2.426 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737727426 576104938 /nfs/dbraw/zinc/10/49/38/576104938.db2.gz LVINRMLNPCWQSG-UHFFFAOYSA-N 1 2 345.410 2.061 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CSCC(=O)OC)c1 ZINC000730285166 577016459 /nfs/dbraw/zinc/01/64/59/577016459.db2.gz WEYYFCLGEPQOBW-INIZCTEOSA-N 1 2 346.452 2.129 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CSCC(=O)OC)c1 ZINC000730285166 577016460 /nfs/dbraw/zinc/01/64/60/577016460.db2.gz WEYYFCLGEPQOBW-INIZCTEOSA-N 1 2 346.452 2.129 20 30 EEEDLO C#C[C@H]([NH2+]Cc1nc(-c2ccc(OCC)cc2)no1)[C@@H]1CCCO1 ZINC000775795715 577445970 /nfs/dbraw/zinc/44/59/70/577445970.db2.gz YZUVQHZIWPVAIL-HOTGVXAUSA-N 1 2 327.384 2.406 20 30 EEEDLO COc1cccc2c1CC[N@H+](Cn1cc3c(c(C#N)c1=O)CCC3)C2 ZINC000766630850 577522424 /nfs/dbraw/zinc/52/24/24/577522424.db2.gz AWXCUZGEXNVIHH-UHFFFAOYSA-N 1 2 335.407 2.233 20 30 EEEDLO COc1cccc2c1CC[N@@H+](Cn1cc3c(c(C#N)c1=O)CCC3)C2 ZINC000766630850 577522425 /nfs/dbraw/zinc/52/24/25/577522425.db2.gz AWXCUZGEXNVIHH-UHFFFAOYSA-N 1 2 335.407 2.233 20 30 EEEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCC(=O)C2CC2)CC1 ZINC000767417536 577536588 /nfs/dbraw/zinc/53/65/88/577536588.db2.gz PBBCVZIPEPEVBF-UHFFFAOYSA-N 1 2 340.383 2.297 20 30 EEEDLO C#CCNC(=S)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000758192567 577618084 /nfs/dbraw/zinc/61/80/84/577618084.db2.gz OSYDPXUMPRRPFS-UHFFFAOYSA-N 1 2 341.402 2.331 20 30 EEEDLO CC(=O)c1cc(F)cc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)c1O ZINC000750820318 577743226 /nfs/dbraw/zinc/74/32/26/577743226.db2.gz OVDNFLHOIAMBFA-KRWDZBQOSA-N 1 2 333.407 2.400 20 30 EEEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1ccc(F)cc1F ZINC000755465295 577825521 /nfs/dbraw/zinc/82/55/21/577825521.db2.gz ZAJRMPUABPYKAS-UHFFFAOYSA-N 1 2 335.358 2.289 20 30 EEEDLO Fc1ccc(F)c(CN[NH+]=Cc2cnc(N3CCOCC3)s2)c1 ZINC000755650701 577828538 /nfs/dbraw/zinc/82/85/38/577828538.db2.gz MUUBUQHDCGDKHI-UHFFFAOYSA-N 1 2 338.383 2.382 20 30 EEEDLO C#CCCCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000743693423 577889045 /nfs/dbraw/zinc/88/90/45/577889045.db2.gz WDCFWIMHXNYMBJ-GOSISDBHSA-N 1 2 329.444 2.081 20 30 EEEDLO C[C@@H]1C[NH+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@@H](C)S1 ZINC000744411962 577897476 /nfs/dbraw/zinc/89/74/76/577897476.db2.gz BKQGXAPYNHQAGF-CHWSQXEVSA-N 1 2 328.441 2.246 20 30 EEEDLO C[C@H](C=NNC(=S)NCC[NH+]1CCOCC1)CCc1ccccc1 ZINC000749156681 577971887 /nfs/dbraw/zinc/97/18/87/577971887.db2.gz KGMGUBGEHDBTBT-INIZCTEOSA-N 1 2 348.516 2.037 20 30 EEEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc(CC#N)cc1 ZINC000741146904 578113399 /nfs/dbraw/zinc/11/33/99/578113399.db2.gz FALYDHBQIDYFQJ-MRXNPFEDSA-N 1 2 329.400 2.109 20 30 EEEDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc(CC#N)cc1 ZINC000741146904 578113400 /nfs/dbraw/zinc/11/34/00/578113400.db2.gz FALYDHBQIDYFQJ-MRXNPFEDSA-N 1 2 329.400 2.109 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000741784668 578124060 /nfs/dbraw/zinc/12/40/60/578124060.db2.gz LDJQYURACQMEQK-QZTJIDSGSA-N 1 2 342.443 2.178 20 30 EEEDLO C=C(Br)CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000819718662 599497170 /nfs/dbraw/zinc/49/71/70/599497170.db2.gz MLDGWZWMBMKWEM-UHFFFAOYSA-N 1 2 331.177 2.157 20 30 EEEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2ccc(F)cc2F)C1 ZINC000969462357 675058346 /nfs/dbraw/zinc/05/83/46/675058346.db2.gz FQUNJGSFWRQJFS-NSHDSACASA-N 1 2 344.365 2.415 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nc(CCC)no3)C2)cc1 ZINC000969545933 675100520 /nfs/dbraw/zinc/10/05/20/675100520.db2.gz JMHFMDORADQSHE-MRXNPFEDSA-N 1 2 338.411 2.008 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001021491281 676141524 /nfs/dbraw/zinc/14/15/24/676141524.db2.gz YIDUTGIFPDXSMX-QMTMVMCOSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(-n3cncn3)cc2)C1 ZINC000969883076 675279912 /nfs/dbraw/zinc/27/99/12/675279912.db2.gz FYCNDOCBCMOQGN-ZDUSSCGKSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC000970135871 675556578 /nfs/dbraw/zinc/55/65/78/675556578.db2.gz XVGWSVAGSDLYAL-UHOFOFEASA-N 1 2 326.868 2.238 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](Cc3snnc3C)C2)cc1 ZINC000970257495 675750665 /nfs/dbraw/zinc/75/06/65/675750665.db2.gz YJTGZZHGXGBGPV-GFCCVEGCSA-N 1 2 340.452 2.078 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H](C)C2C[NH+](CC=C(Cl)Cl)C2)c1 ZINC000970401344 675855701 /nfs/dbraw/zinc/85/57/01/675855701.db2.gz MWECUYCRLHRYOY-LLVKDONJSA-N 1 2 338.238 2.432 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(N(C)C(C)=O)cc2)C1 ZINC000970955778 676269450 /nfs/dbraw/zinc/26/94/50/676269450.db2.gz YZRSVISAUJPPOF-ZDUSSCGKSA-N 1 2 349.862 2.472 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2noc3c2CC(C)(C)CC3)C1 ZINC000971212433 676443561 /nfs/dbraw/zinc/44/35/61/676443561.db2.gz YWBRSHCBOJYVJB-ZIAGYGMSSA-N 1 2 344.459 2.382 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2noc3c2CC(C)(C)CC3)C1 ZINC000971212433 676443562 /nfs/dbraw/zinc/44/35/62/676443562.db2.gz YWBRSHCBOJYVJB-ZIAGYGMSSA-N 1 2 344.459 2.382 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC000971400289 676525501 /nfs/dbraw/zinc/52/55/01/676525501.db2.gz LGJCEZVVGBYQIS-LLVKDONJSA-N 1 2 328.210 2.038 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC000971400289 676525502 /nfs/dbraw/zinc/52/55/02/676525502.db2.gz LGJCEZVVGBYQIS-LLVKDONJSA-N 1 2 328.210 2.038 20 30 EEEDLO C#CC[N@@H+](CC)Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000891805026 676840614 /nfs/dbraw/zinc/84/06/14/676840614.db2.gz BTHKUVUVWGWYSC-HNNXBMFYSA-N 1 2 347.463 2.305 20 30 EEEDLO C#CC[N@H+](CC)Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000891805026 676840615 /nfs/dbraw/zinc/84/06/15/676840615.db2.gz BTHKUVUVWGWYSC-HNNXBMFYSA-N 1 2 347.463 2.305 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CC(C)(F)F)C1 ZINC000972258625 678459331 /nfs/dbraw/zinc/45/93/31/678459331.db2.gz QZSLOCBNVQXTDR-JTQLQIEISA-N 1 2 325.197 2.473 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)CC(C)(F)F)C1 ZINC000972258625 678459332 /nfs/dbraw/zinc/45/93/32/678459332.db2.gz QZSLOCBNVQXTDR-JTQLQIEISA-N 1 2 325.197 2.473 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@H]([N@@H+](C)[C@H](C)c3ncc(C)o3)C2)c1 ZINC000972285838 678496157 /nfs/dbraw/zinc/49/61/57/678496157.db2.gz WWNHSIIKWBGTAI-PBHICJAKSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@H]([N@H+](C)[C@H](C)c3ncc(C)o3)C2)c1 ZINC000972285838 678496159 /nfs/dbraw/zinc/49/61/59/678496159.db2.gz WWNHSIIKWBGTAI-PBHICJAKSA-N 1 2 338.411 2.267 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4c3CCCC4)C2)C1 ZINC000972392565 678671761 /nfs/dbraw/zinc/67/17/61/678671761.db2.gz YRBKEIVATPKSEM-NRFANRHFSA-N 1 2 338.451 2.116 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4c3CCCC4)C2)C1 ZINC000972392565 678671764 /nfs/dbraw/zinc/67/17/64/678671764.db2.gz YRBKEIVATPKSEM-NRFANRHFSA-N 1 2 338.451 2.116 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cccc4ccccc43)C2)C1 ZINC000972650954 679510586 /nfs/dbraw/zinc/51/05/86/679510586.db2.gz QREGIKDDVIFNCK-QFIPXVFZSA-N 1 2 348.446 2.319 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cccc4ccccc43)C2)C1 ZINC000972650954 679510588 /nfs/dbraw/zinc/51/05/88/679510588.db2.gz QREGIKDDVIFNCK-QFIPXVFZSA-N 1 2 348.446 2.319 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(Cl)cn3CC)C2)C1 ZINC000972676433 679588210 /nfs/dbraw/zinc/58/82/10/679588210.db2.gz KQZSZFBEVAMGSR-SFHVURJKSA-N 1 2 349.862 2.102 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(Cl)cn3CC)C2)C1 ZINC000972676433 679588212 /nfs/dbraw/zinc/58/82/12/679588212.db2.gz KQZSZFBEVAMGSR-SFHVURJKSA-N 1 2 349.862 2.102 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CC(C(C)(C)C)C3)C2)C1 ZINC000972693341 679617165 /nfs/dbraw/zinc/61/71/65/679617165.db2.gz ZSRQFPNLNCZALP-LBXVMSDZSA-N 1 2 332.488 2.385 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CC(C(C)(C)C)C3)C2)C1 ZINC000972693341 679617169 /nfs/dbraw/zinc/61/71/69/679617169.db2.gz ZSRQFPNLNCZALP-LBXVMSDZSA-N 1 2 332.488 2.385 20 30 EEEDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1nccs1 ZINC000947205699 679860392 /nfs/dbraw/zinc/86/03/92/679860392.db2.gz VELWHXFHVFJCMK-YPMHNXCESA-N 1 2 329.429 2.126 20 30 EEEDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1nccs1 ZINC000947205699 679860393 /nfs/dbraw/zinc/86/03/93/679860393.db2.gz VELWHXFHVFJCMK-YPMHNXCESA-N 1 2 329.429 2.126 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCOCC1 ZINC001024300009 679864205 /nfs/dbraw/zinc/86/42/05/679864205.db2.gz XRMTVMPPZUZLFG-CQSZACIVSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CCOCC1 ZINC001024300009 679864206 /nfs/dbraw/zinc/86/42/06/679864206.db2.gz XRMTVMPPZUZLFG-CQSZACIVSA-N 1 2 345.281 2.292 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccc(F)cn2)c1 ZINC001024380556 679885741 /nfs/dbraw/zinc/88/57/41/679885741.db2.gz NZHKYLSTVYSMIW-MRXNPFEDSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccc(F)cn2)c1 ZINC001024380556 679885742 /nfs/dbraw/zinc/88/57/42/679885742.db2.gz NZHKYLSTVYSMIW-MRXNPFEDSA-N 1 2 341.390 2.205 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001024515317 680017729 /nfs/dbraw/zinc/01/77/29/680017729.db2.gz QUEDNCPHJWNPSA-CABCVRRESA-N 1 2 336.867 2.169 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001024515317 680017734 /nfs/dbraw/zinc/01/77/34/680017734.db2.gz QUEDNCPHJWNPSA-CABCVRRESA-N 1 2 336.867 2.169 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]([C@H](C)c2csnn2)C1 ZINC001028594056 681263349 /nfs/dbraw/zinc/26/33/49/681263349.db2.gz ZWDSRGZMCOIWFZ-ZIAGYGMSSA-N 1 2 345.472 2.339 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]([C@H](C)c2csnn2)C1 ZINC001028594056 681263352 /nfs/dbraw/zinc/26/33/52/681263352.db2.gz ZWDSRGZMCOIWFZ-ZIAGYGMSSA-N 1 2 345.472 2.339 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1coc(C)n1 ZINC001024701793 681361913 /nfs/dbraw/zinc/36/19/13/681361913.db2.gz KHUDSTAARCBHST-BZSNNMDCSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1coc(C)n1 ZINC001024701793 681361918 /nfs/dbraw/zinc/36/19/18/681361918.db2.gz KHUDSTAARCBHST-BZSNNMDCSA-N 1 2 347.459 2.435 20 30 EEEDLO C[C@@]1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)CCOC1 ZINC000982870908 681441607 /nfs/dbraw/zinc/44/16/07/681441607.db2.gz JBBBUKZFUJAZAY-QGZVFWFLSA-N 1 2 333.457 2.081 20 30 EEEDLO C[C@@]1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)CCOC1 ZINC000982870908 681441609 /nfs/dbraw/zinc/44/16/09/681441609.db2.gz JBBBUKZFUJAZAY-QGZVFWFLSA-N 1 2 333.457 2.081 20 30 EEEDLO Cc1nonc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001024824055 681473572 /nfs/dbraw/zinc/47/35/72/681473572.db2.gz JIQMUQHMOMNTSO-LBPRGKRZSA-N 1 2 345.428 2.096 20 30 EEEDLO Cc1nonc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC001024824055 681473574 /nfs/dbraw/zinc/47/35/74/681473574.db2.gz JIQMUQHMOMNTSO-LBPRGKRZSA-N 1 2 345.428 2.096 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)n1 ZINC001059081148 681732696 /nfs/dbraw/zinc/73/26/96/681732696.db2.gz VJOUAWDRJBIOEJ-ZBFHGGJFSA-N 1 2 338.415 2.122 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)[nH]1 ZINC001006944087 682027097 /nfs/dbraw/zinc/02/70/97/682027097.db2.gz CMXQMFNIXRUDQA-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)[nH]1 ZINC001006944087 682027100 /nfs/dbraw/zinc/02/71/00/682027100.db2.gz CMXQMFNIXRUDQA-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3nnc(CC)n3C)C2)CC1 ZINC001028779873 682209486 /nfs/dbraw/zinc/20/94/86/682209486.db2.gz BHDILONOUQJAPD-OAHLLOKOSA-N 1 2 345.491 2.062 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3nnc(CC)n3C)C2)CC1 ZINC001028779873 682209489 /nfs/dbraw/zinc/20/94/89/682209489.db2.gz BHDILONOUQJAPD-OAHLLOKOSA-N 1 2 345.491 2.062 20 30 EEEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1cnco1 ZINC000974867761 685643602 /nfs/dbraw/zinc/64/36/02/685643602.db2.gz BPXPWCFFGIHFAK-MRXNPFEDSA-N 1 2 342.374 2.326 20 30 EEEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1cnco1 ZINC000974867761 685643606 /nfs/dbraw/zinc/64/36/06/685643606.db2.gz BPXPWCFFGIHFAK-MRXNPFEDSA-N 1 2 342.374 2.326 20 30 EEEDLO CCO[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029226284 683595510 /nfs/dbraw/zinc/59/55/10/683595510.db2.gz AZFADLPCBFYSIS-ZSYWTGECSA-N 1 2 339.439 2.158 20 30 EEEDLO CCO[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029226284 683595513 /nfs/dbraw/zinc/59/55/13/683595513.db2.gz AZFADLPCBFYSIS-ZSYWTGECSA-N 1 2 339.439 2.158 20 30 EEEDLO Cc1ncn(C)c1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029349012 684063807 /nfs/dbraw/zinc/06/38/07/684063807.db2.gz MNTWUHHRWOLMEZ-KDURUIRLSA-N 1 2 348.450 2.069 20 30 EEEDLO Cc1ncn(C)c1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029349012 684063810 /nfs/dbraw/zinc/06/38/10/684063810.db2.gz MNTWUHHRWOLMEZ-KDURUIRLSA-N 1 2 348.450 2.069 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H](CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001059316371 684127341 /nfs/dbraw/zinc/12/73/41/684127341.db2.gz UCJVKZWGEJMVOJ-CABCVRRESA-N 1 2 344.459 2.151 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2nccnc2C)cc1 ZINC001029416194 684407803 /nfs/dbraw/zinc/40/78/03/684407803.db2.gz DBDQHOCTZHCCEH-KDURUIRLSA-N 1 2 346.434 2.255 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nccnc2C)cc1 ZINC001029416194 684407807 /nfs/dbraw/zinc/40/78/07/684407807.db2.gz DBDQHOCTZHCCEH-KDURUIRLSA-N 1 2 346.434 2.255 20 30 EEEDLO CC[C@H](F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)ccc1OC ZINC001029424422 684500175 /nfs/dbraw/zinc/50/01/75/684500175.db2.gz YZBFLDJABNEVBC-BBWFWOEESA-N 1 2 345.418 2.490 20 30 EEEDLO CC[C@H](F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)ccc1OC ZINC001029424422 684500179 /nfs/dbraw/zinc/50/01/79/684500179.db2.gz YZBFLDJABNEVBC-BBWFWOEESA-N 1 2 345.418 2.490 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000984427256 684532752 /nfs/dbraw/zinc/53/27/52/684532752.db2.gz BTQYSNBYUDSNAT-MRXNPFEDSA-N 1 2 344.459 2.079 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2ncc(C)o2)CC1(C)C ZINC000974590126 685090252 /nfs/dbraw/zinc/09/02/52/685090252.db2.gz ZIFSZSXXXJPFOW-PMPSAXMXSA-N 1 2 347.459 2.291 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2ncc(C)o2)CC1(C)C ZINC000974590126 685090258 /nfs/dbraw/zinc/09/02/58/685090258.db2.gz ZIFSZSXXXJPFOW-PMPSAXMXSA-N 1 2 347.459 2.291 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cncc(COC)c2)C(C)(C)C1 ZINC000974682340 685230037 /nfs/dbraw/zinc/23/00/37/685230037.db2.gz XAXKVLIDAVLNOB-HNNXBMFYSA-N 1 2 337.851 2.421 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cncc(COC)c2)C(C)(C)C1 ZINC000974682340 685230043 /nfs/dbraw/zinc/23/00/43/685230043.db2.gz XAXKVLIDAVLNOB-HNNXBMFYSA-N 1 2 337.851 2.421 20 30 EEEDLO O=C(c1cccc(C#CCO)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000899977067 693951955 /nfs/dbraw/zinc/95/19/55/693951955.db2.gz KUWRKYBAVVHUND-UHFFFAOYSA-N 1 2 340.448 2.050 20 30 EEEDLO CCn1cnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)c1 ZINC001029554410 685849925 /nfs/dbraw/zinc/84/99/25/685849925.db2.gz AUPHSMVKWLUINF-KDURUIRLSA-N 1 2 348.450 2.244 20 30 EEEDLO CCn1cnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)c1 ZINC001029554410 685849934 /nfs/dbraw/zinc/84/99/34/685849934.db2.gz AUPHSMVKWLUINF-KDURUIRLSA-N 1 2 348.450 2.244 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ncnn2CC)C1 ZINC001029798207 687122425 /nfs/dbraw/zinc/12/24/25/687122425.db2.gz HHMDRNIUCNDZLI-HNNXBMFYSA-N 1 2 333.480 2.181 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ncnn2CC)C1 ZINC001029798207 687122429 /nfs/dbraw/zinc/12/24/29/687122429.db2.gz HHMDRNIUCNDZLI-HNNXBMFYSA-N 1 2 333.480 2.181 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC([N@H+](C)Cc3nncs3)CC2)cc1 ZINC000985570742 687175874 /nfs/dbraw/zinc/17/58/74/687175874.db2.gz XRDIOCIFLCPHGF-UHFFFAOYSA-N 1 2 340.452 2.256 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC([N@@H+](C)Cc3nncs3)CC2)cc1 ZINC000985570742 687175876 /nfs/dbraw/zinc/17/58/76/687175876.db2.gz XRDIOCIFLCPHGF-UHFFFAOYSA-N 1 2 340.452 2.256 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H](C[N@H+](C)Cc2nc(N(C)C)no2)C1 ZINC001029826838 687224384 /nfs/dbraw/zinc/22/43/84/687224384.db2.gz WGPKRXXHVGWWBG-KDOFPFPSSA-N 1 2 349.479 2.018 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H](C[N@@H+](C)Cc2nc(N(C)C)no2)C1 ZINC001029826838 687224387 /nfs/dbraw/zinc/22/43/87/687224387.db2.gz WGPKRXXHVGWWBG-KDOFPFPSSA-N 1 2 349.479 2.018 20 30 EEEDLO C#CCOc1ccc(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]c(C)n3)C2)cc1 ZINC001059844946 690182644 /nfs/dbraw/zinc/18/26/44/690182644.db2.gz JGPFEGGWCMHMOP-IYBDPMFKSA-N 1 2 336.395 2.170 20 30 EEEDLO C=C1CCC(C(=O)N(C)C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000988273175 690456334 /nfs/dbraw/zinc/45/63/34/690456334.db2.gz YJMKLASCBMYTGO-OAHLLOKOSA-N 1 2 344.459 2.006 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2CNC(=O)c2ccon2)c1 ZINC001027765626 694407350 /nfs/dbraw/zinc/40/73/50/694407350.db2.gz HOZXUGKSWSPVBN-CQSZACIVSA-N 1 2 328.347 2.080 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2CNC(=O)c2ccon2)c1 ZINC001027765626 694407353 /nfs/dbraw/zinc/40/73/53/694407353.db2.gz HOZXUGKSWSPVBN-CQSZACIVSA-N 1 2 328.347 2.080 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000989638804 692113036 /nfs/dbraw/zinc/11/30/36/692113036.db2.gz OTJJHOHWITYWRY-IUODEOHRSA-N 1 2 345.834 2.417 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CNC(=O)C1=COCCC1 ZINC001027787767 694527334 /nfs/dbraw/zinc/52/73/34/694527334.db2.gz VVDLKRUXCLNCRN-GOSISDBHSA-N 1 2 343.402 2.472 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1CNC(=O)C1=COCCC1 ZINC001027787767 694527335 /nfs/dbraw/zinc/52/73/35/694527335.db2.gz VVDLKRUXCLNCRN-GOSISDBHSA-N 1 2 343.402 2.472 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001038133410 693679727 /nfs/dbraw/zinc/67/97/27/693679727.db2.gz MZHDDNFJZREERS-VXNCWWDNSA-N 1 2 339.439 2.303 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001038133410 693679732 /nfs/dbraw/zinc/67/97/32/693679732.db2.gz MZHDDNFJZREERS-VXNCWWDNSA-N 1 2 339.439 2.303 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3nccs3)C2)cc1F ZINC001032067815 1192094542 /nfs/dbraw/zinc/09/45/42/1192094542.db2.gz ZBLAGKZJNLGEKL-UHFFFAOYSA-N 1 2 330.388 2.016 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ncccc3F)C2)s1 ZINC001032072393 1192156628 /nfs/dbraw/zinc/15/66/28/1192156628.db2.gz ODUXOLJCNKEWLX-UHFFFAOYSA-N 1 2 330.388 2.016 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H](O)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001124957677 1192708768 /nfs/dbraw/zinc/70/87/68/1192708768.db2.gz MNYRSIFREWTTJS-OAHLLOKOSA-N 1 2 334.464 2.130 20 30 EEEDLO C=CCOCC(=O)N(C)C1C[NH+](CCOc2cccc(Cl)c2)C1 ZINC001754572198 1178786017 /nfs/dbraw/zinc/78/60/17/1178786017.db2.gz WJNNLULYUJDZAA-UHFFFAOYSA-N 1 2 338.835 2.064 20 30 EEEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1nccn1CC ZINC001481133488 1179876291 /nfs/dbraw/zinc/87/62/91/1179876291.db2.gz CKPCBWOMOWQLQT-UHFFFAOYSA-N 1 2 343.269 2.253 20 30 EEEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1nccn1CC ZINC001481133488 1179876301 /nfs/dbraw/zinc/87/63/01/1179876301.db2.gz CKPCBWOMOWQLQT-UHFFFAOYSA-N 1 2 343.269 2.253 20 30 EEEDLO C=CC[C@H](C)C(=O)N1CC2(C[C@@H]2C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001268907901 1183809286 /nfs/dbraw/zinc/80/92/86/1183809286.db2.gz WAUUBBPXXWCUSW-UONOGXRCSA-N 1 2 338.411 2.334 20 30 EEEDLO C=CCC(F)(F)C(=O)N1CC2(C1)CC[N@@H+](Cc1nccn1CC)C2 ZINC001269001641 1183888281 /nfs/dbraw/zinc/88/82/81/1183888281.db2.gz GZWHWBKVJKVFCY-UHFFFAOYSA-N 1 2 338.402 2.149 20 30 EEEDLO C=CCC(F)(F)C(=O)N1CC2(C1)CC[N@H+](Cc1nccn1CC)C2 ZINC001269001641 1183888284 /nfs/dbraw/zinc/88/82/84/1183888284.db2.gz GZWHWBKVJKVFCY-UHFFFAOYSA-N 1 2 338.402 2.149 20 30 EEEDLO C=C(C)CN1CC[C@]2(CCN(C(=O)c3c[nH]c4cc[nH+]cc34)C2)C1=O ZINC001270138881 1184875425 /nfs/dbraw/zinc/87/54/25/1184875425.db2.gz LDHILQWSRBHTKM-LJQANCHMSA-N 1 2 338.411 2.204 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC23CCC3)cc1C#N ZINC001271891766 1186586611 /nfs/dbraw/zinc/58/66/11/1186586611.db2.gz HKZCKMAQUMUVNV-JZXOWHBKSA-N 1 2 338.455 2.262 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC23CCC3)cc1C#N ZINC001271891766 1186586616 /nfs/dbraw/zinc/58/66/16/1186586616.db2.gz HKZCKMAQUMUVNV-JZXOWHBKSA-N 1 2 338.455 2.262 20 30 EEEDLO C[NH+](C)Cc1nc(CSCCNc2nccnc2CC#N)cs1 ZINC001168109123 1186799734 /nfs/dbraw/zinc/79/97/34/1186799734.db2.gz NKQVDWDTARZLIU-UHFFFAOYSA-N 1 2 348.501 2.406 20 30 EEEDLO Cc1ncoc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088508616 1187090658 /nfs/dbraw/zinc/09/06/58/1187090658.db2.gz JELFTWRDFUJTDA-WBMJQRKESA-N 1 2 342.374 2.387 20 30 EEEDLO Cc1ncoc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088508616 1187090663 /nfs/dbraw/zinc/09/06/63/1187090663.db2.gz JELFTWRDFUJTDA-WBMJQRKESA-N 1 2 342.374 2.387 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001088513194 1187114582 /nfs/dbraw/zinc/11/45/82/1187114582.db2.gz FTRKATPFZABZBU-RISCZKNCSA-N 1 2 343.818 2.328 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1ccc(Cl)nc1 ZINC001088513194 1187114584 /nfs/dbraw/zinc/11/45/84/1187114584.db2.gz FTRKATPFZABZBU-RISCZKNCSA-N 1 2 343.818 2.328 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCO2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088526150 1187162698 /nfs/dbraw/zinc/16/26/98/1187162698.db2.gz CFWCSSSXOQIHPA-BVGQSLNGSA-N 1 2 345.418 2.345 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCO2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088526150 1187162703 /nfs/dbraw/zinc/16/27/03/1187162703.db2.gz CFWCSSSXOQIHPA-BVGQSLNGSA-N 1 2 345.418 2.345 20 30 EEEDLO CCc1nnc(C[N@@H+]2CCC[C@@H]([C@H](C)NC(=O)C#CC(C)C)C2)s1 ZINC001752836594 1187670064 /nfs/dbraw/zinc/67/00/64/1187670064.db2.gz ONIXRYJFCTVVFP-LSDHHAIUSA-N 1 2 348.516 2.477 20 30 EEEDLO CCc1nnc(C[N@H+]2CCC[C@@H]([C@H](C)NC(=O)C#CC(C)C)C2)s1 ZINC001752836594 1187670068 /nfs/dbraw/zinc/67/00/68/1187670068.db2.gz ONIXRYJFCTVVFP-LSDHHAIUSA-N 1 2 348.516 2.477 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC3(F)F)[C@@H]2C1 ZINC001075930299 1188024944 /nfs/dbraw/zinc/02/49/44/1188024944.db2.gz DBOKTQPLHNZIQV-SDDRHHMPSA-N 1 2 349.219 2.473 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC3(F)F)[C@@H]2C1 ZINC001075930299 1188024950 /nfs/dbraw/zinc/02/49/50/1188024950.db2.gz DBOKTQPLHNZIQV-SDDRHHMPSA-N 1 2 349.219 2.473 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(C)=C3CCCC3)C2)nn1 ZINC001098652008 1188349024 /nfs/dbraw/zinc/34/90/24/1188349024.db2.gz IVVWKPYHHXEEDG-GOSISDBHSA-N 1 2 341.459 2.055 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc3c(c2)c(C)nn3C)[C@H]1C ZINC001088783830 1188505888 /nfs/dbraw/zinc/50/58/88/1188505888.db2.gz ROKRYTFBGISCMZ-DOMZBBRYSA-N 1 2 347.850 2.222 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc3c(c2)c(C)nn3C)[C@H]1C ZINC001088783830 1188505890 /nfs/dbraw/zinc/50/58/90/1188505890.db2.gz ROKRYTFBGISCMZ-DOMZBBRYSA-N 1 2 347.850 2.222 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC4CC4)c3)[C@@H]2C1 ZINC001076440138 1188916310 /nfs/dbraw/zinc/91/63/10/1188916310.db2.gz VSSMIRWEZKELMG-GOEBONIOSA-N 1 2 334.851 2.192 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC4CC4)c3)[C@@H]2C1 ZINC001076440138 1188916313 /nfs/dbraw/zinc/91/63/13/1188916313.db2.gz VSSMIRWEZKELMG-GOEBONIOSA-N 1 2 334.851 2.192 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001076667645 1189092445 /nfs/dbraw/zinc/09/24/45/1189092445.db2.gz XPANZPZCFIZYQA-GJZGRUSLSA-N 1 2 346.475 2.368 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001076667645 1189092449 /nfs/dbraw/zinc/09/24/49/1189092449.db2.gz XPANZPZCFIZYQA-GJZGRUSLSA-N 1 2 346.475 2.368 20 30 EEEDLO C=CCC1(C(=O)NCC[C@H](C)NC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001076782296 1189161245 /nfs/dbraw/zinc/16/12/45/1189161245.db2.gz XGPVVZYFQCIKBS-INIZCTEOSA-N 1 2 346.475 2.421 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001077116526 1189342101 /nfs/dbraw/zinc/34/21/01/1189342101.db2.gz RVSWKYXDQWBPLP-LSDHHAIUSA-N 1 2 346.475 2.059 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001077117475 1189342617 /nfs/dbraw/zinc/34/26/17/1189342617.db2.gz DHDBXXVDNSHPSL-ZFWWWQNUSA-N 1 2 346.475 2.190 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001077117475 1189342619 /nfs/dbraw/zinc/34/26/19/1189342619.db2.gz DHDBXXVDNSHPSL-ZFWWWQNUSA-N 1 2 346.475 2.190 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnn(C)c1C(F)(F)F ZINC001409567382 1190046317 /nfs/dbraw/zinc/04/63/17/1190046317.db2.gz MOPQEFLYAXBWAM-VIFPVBQESA-N 1 2 338.761 2.242 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnn(C)c1C(F)(F)F ZINC001409567382 1190046320 /nfs/dbraw/zinc/04/63/20/1190046320.db2.gz MOPQEFLYAXBWAM-VIFPVBQESA-N 1 2 338.761 2.242 20 30 EEEDLO N#Cc1cccc(C[NH2+]C2(CNC(=O)C(F)C(F)(F)F)CC2)c1 ZINC001483736685 1190859908 /nfs/dbraw/zinc/85/99/08/1190859908.db2.gz XTYJKIOJRHPJGB-GFCCVEGCSA-N 1 2 329.297 2.197 20 30 EEEDLO N#Cc1cccc(C[NH2+]C2(CNC(=O)[C@@H](F)C(F)(F)F)CC2)c1 ZINC001483736685 1190859910 /nfs/dbraw/zinc/85/99/10/1190859910.db2.gz XTYJKIOJRHPJGB-GFCCVEGCSA-N 1 2 329.297 2.197 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001011393932 1224158529 /nfs/dbraw/zinc/15/85/29/1224158529.db2.gz CGAXRNVLTXNDRS-LJQANCHMSA-N 1 2 340.427 2.450 20 30 EEEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1Nc1cccc(F)c1C#N ZINC001067216618 1224193012 /nfs/dbraw/zinc/19/30/12/1224193012.db2.gz BICKWNLANXJBPS-PXAZEXFGSA-N 1 2 341.390 2.312 20 30 EEEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1Nc1cccc(F)c1C#N ZINC001067216618 1224193016 /nfs/dbraw/zinc/19/30/16/1224193016.db2.gz BICKWNLANXJBPS-PXAZEXFGSA-N 1 2 341.390 2.312 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cnc(Cl)c(C)c1)C2 ZINC001272957094 1194267436 /nfs/dbraw/zinc/26/74/36/1194267436.db2.gz IACWTEGFGLTYPE-SFHVURJKSA-N 1 2 349.862 2.280 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cnc(Cl)c(C)c1)C2 ZINC001272957094 1194267441 /nfs/dbraw/zinc/26/74/41/1194267441.db2.gz IACWTEGFGLTYPE-SFHVURJKSA-N 1 2 349.862 2.280 20 30 EEEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1cc(C)ccc1OCC)C2 ZINC001272976780 1194285214 /nfs/dbraw/zinc/28/52/14/1194285214.db2.gz AMMDPPRTQFSGKK-UHFFFAOYSA-N 1 2 344.455 2.383 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)OCCC(C)C)c2C1 ZINC001128602790 1194470526 /nfs/dbraw/zinc/47/05/26/1194470526.db2.gz XMYXNTRRPDGLJS-INIZCTEOSA-N 1 2 348.491 2.342 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H](C)OCCC(C)C)c2C1 ZINC001128602790 1194470528 /nfs/dbraw/zinc/47/05/28/1194470528.db2.gz XMYXNTRRPDGLJS-INIZCTEOSA-N 1 2 348.491 2.342 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001033412877 1194531903 /nfs/dbraw/zinc/53/19/03/1194531903.db2.gz JZJJNPHHIVJUPJ-OAHLLOKOSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001033412877 1194531906 /nfs/dbraw/zinc/53/19/06/1194531906.db2.gz JZJJNPHHIVJUPJ-OAHLLOKOSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001033432090 1194552054 /nfs/dbraw/zinc/55/20/54/1194552054.db2.gz LICRSFXNUIEAPO-OAGGEKHMSA-N 1 2 349.862 2.359 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001033432090 1194552056 /nfs/dbraw/zinc/55/20/56/1194552056.db2.gz LICRSFXNUIEAPO-OAGGEKHMSA-N 1 2 349.862 2.359 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c(cn2)OCCC3)C1 ZINC001033626868 1194970421 /nfs/dbraw/zinc/97/04/21/1194970421.db2.gz GMEOJFDGDCWNHM-CQSZACIVSA-N 1 2 335.835 2.305 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(cn2)OCCC3)C1 ZINC001033626868 1194970425 /nfs/dbraw/zinc/97/04/25/1194970425.db2.gz GMEOJFDGDCWNHM-CQSZACIVSA-N 1 2 335.835 2.305 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]2C)CC1 ZINC001005241579 1194971001 /nfs/dbraw/zinc/97/10/01/1194971001.db2.gz IBIXTVQRSNGCPJ-WMLDXEAASA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001033652357 1195020333 /nfs/dbraw/zinc/02/03/33/1195020333.db2.gz HXDIXHIWGMCJHY-AWEZNQCLSA-N 1 2 347.850 2.350 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001033652357 1195020338 /nfs/dbraw/zinc/02/03/38/1195020338.db2.gz HXDIXHIWGMCJHY-AWEZNQCLSA-N 1 2 347.850 2.350 20 30 EEEDLO CCc1ncncc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033664564 1195025599 /nfs/dbraw/zinc/02/55/99/1195025599.db2.gz CZNLDOJOZYXBHO-KRWDZBQOSA-N 1 2 349.438 2.257 20 30 EEEDLO CCc1ncncc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033664564 1195025605 /nfs/dbraw/zinc/02/56/05/1195025605.db2.gz CZNLDOJOZYXBHO-KRWDZBQOSA-N 1 2 349.438 2.257 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@H+](Cc2nccs2)C1 ZINC001033801074 1195302102 /nfs/dbraw/zinc/30/21/02/1195302102.db2.gz HKQKMIHMATWSNP-CYBMUJFWSA-N 1 2 329.429 2.079 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001033801074 1195302106 /nfs/dbraw/zinc/30/21/06/1195302106.db2.gz HKQKMIHMATWSNP-CYBMUJFWSA-N 1 2 329.429 2.079 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(C(N)=O)c2)C1 ZINC001033876268 1195414012 /nfs/dbraw/zinc/41/40/12/1195414012.db2.gz QULLJZOOHZYVRX-HNNXBMFYSA-N 1 2 335.835 2.074 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(C(N)=O)c2)C1 ZINC001033876268 1195414015 /nfs/dbraw/zinc/41/40/15/1195414015.db2.gz QULLJZOOHZYVRX-HNNXBMFYSA-N 1 2 335.835 2.074 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc3ncccn3n2)C1 ZINC001034003212 1195645350 /nfs/dbraw/zinc/64/53/50/1195645350.db2.gz ZYRVDSHQCUVOLK-CYBMUJFWSA-N 1 2 333.823 2.018 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3ncccn3n2)C1 ZINC001034003212 1195645352 /nfs/dbraw/zinc/64/53/52/1195645352.db2.gz ZYRVDSHQCUVOLK-CYBMUJFWSA-N 1 2 333.823 2.018 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](Cc3cscn3)C2)[nH]1 ZINC001034165804 1195884986 /nfs/dbraw/zinc/88/49/86/1195884986.db2.gz QJWZHRINOPNFFW-CYBMUJFWSA-N 1 2 329.429 2.127 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3cscn3)C2)[nH]1 ZINC001034165804 1195884989 /nfs/dbraw/zinc/88/49/89/1195884989.db2.gz QJWZHRINOPNFFW-CYBMUJFWSA-N 1 2 329.429 2.127 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2coc(C)n2)C1 ZINC001034211888 1195950375 /nfs/dbraw/zinc/95/03/75/1195950375.db2.gz DCYIJVMDTCUPHN-JQHSSLGASA-N 1 2 347.459 2.435 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2coc(C)n2)C1 ZINC001034211888 1195950378 /nfs/dbraw/zinc/95/03/78/1195950378.db2.gz DCYIJVMDTCUPHN-JQHSSLGASA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001034257561 1196001716 /nfs/dbraw/zinc/00/17/16/1196001716.db2.gz KZSIVGKCDOWWLN-GFCCVEGCSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001034257561 1196001720 /nfs/dbraw/zinc/00/17/20/1196001720.db2.gz KZSIVGKCDOWWLN-GFCCVEGCSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc3ncnn32)C1 ZINC001034293004 1196058015 /nfs/dbraw/zinc/05/80/15/1196058015.db2.gz JMFUJCBUZVSZPE-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cccc3ncnn32)C1 ZINC001034293004 1196058019 /nfs/dbraw/zinc/05/80/19/1196058019.db2.gz JMFUJCBUZVSZPE-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@@H+](Cc3cn(C)nn3)C2)CC1 ZINC001034381006 1196163732 /nfs/dbraw/zinc/16/37/32/1196163732.db2.gz MQPCJARQPKYWFW-INIZCTEOSA-N 1 2 331.464 2.032 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+](Cc3cn(C)nn3)C2)CC1 ZINC001034381006 1196163734 /nfs/dbraw/zinc/16/37/34/1196163734.db2.gz MQPCJARQPKYWFW-INIZCTEOSA-N 1 2 331.464 2.032 20 30 EEEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2cnn(C)c2)o1 ZINC001018154904 1224402756 /nfs/dbraw/zinc/40/27/56/1224402756.db2.gz OSXFXIGCCDNJKO-GASCZTMLSA-N 1 2 326.400 2.155 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2cnn(C)c2)o1 ZINC001018154904 1224402762 /nfs/dbraw/zinc/40/27/62/1224402762.db2.gz OSXFXIGCCDNJKO-GASCZTMLSA-N 1 2 326.400 2.155 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CCCC)c1CC ZINC001018157201 1224405187 /nfs/dbraw/zinc/40/51/87/1224405187.db2.gz GGIFUMBMEDTLPF-IYBDPMFKSA-N 1 2 328.460 2.168 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CCCC)c1CC ZINC001018157201 1224405191 /nfs/dbraw/zinc/40/51/91/1224405191.db2.gz GGIFUMBMEDTLPF-IYBDPMFKSA-N 1 2 328.460 2.168 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=C)Br)C[C@H]32)CCC1 ZINC001114395229 1197919254 /nfs/dbraw/zinc/91/92/54/1197919254.db2.gz QOTRRJFHHKUJKB-WDNDVIMCSA-N 1 2 337.261 2.135 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=C)Br)C[C@H]32)CCC1 ZINC001114395229 1197919247 /nfs/dbraw/zinc/91/92/47/1197919247.db2.gz QOTRRJFHHKUJKB-WDNDVIMCSA-N 1 2 337.261 2.135 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3ccc(C)nc3Cl)C2)OCC1=O ZINC001273354610 1198281342 /nfs/dbraw/zinc/28/13/42/1198281342.db2.gz BZQDYDWFTCPDBV-SFHVURJKSA-N 1 2 349.862 2.423 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3ccc(C)nc3Cl)C2)OCC1=O ZINC001273354610 1198281347 /nfs/dbraw/zinc/28/13/47/1198281347.db2.gz BZQDYDWFTCPDBV-SFHVURJKSA-N 1 2 349.862 2.423 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCc2nc(C)no2)[C@H]1C ZINC001410934474 1198604070 /nfs/dbraw/zinc/60/40/70/1198604070.db2.gz UBUODYTZTCDWIB-OCCSQVGLSA-N 1 2 340.855 2.422 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCc2nc(C)no2)[C@H]1C ZINC001410934474 1198604074 /nfs/dbraw/zinc/60/40/74/1198604074.db2.gz UBUODYTZTCDWIB-OCCSQVGLSA-N 1 2 340.855 2.422 20 30 EEEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000875328097 1199211525 /nfs/dbraw/zinc/21/15/25/1199211525.db2.gz IIHAUJBGEPHRAE-YOEHRIQHSA-N 1 2 330.432 2.029 20 30 EEEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000875328097 1199211528 /nfs/dbraw/zinc/21/15/28/1199211528.db2.gz IIHAUJBGEPHRAE-YOEHRIQHSA-N 1 2 330.432 2.029 20 30 EEEDLO COc1nccc(C[N@@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)n1 ZINC001132034070 1199218623 /nfs/dbraw/zinc/21/86/23/1199218623.db2.gz NPZRNRDPZWCSHV-GJZGRUSLSA-N 1 2 344.459 2.004 20 30 EEEDLO COc1nccc(C[N@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)n1 ZINC001132034070 1199218628 /nfs/dbraw/zinc/21/86/28/1199218628.db2.gz NPZRNRDPZWCSHV-GJZGRUSLSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132073404 1199265196 /nfs/dbraw/zinc/26/51/96/1199265196.db2.gz VTTQACGWZKJGGK-JKSUJKDBSA-N 1 2 337.508 2.474 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132073404 1199265201 /nfs/dbraw/zinc/26/52/01/1199265201.db2.gz VTTQACGWZKJGGK-JKSUJKDBSA-N 1 2 337.508 2.474 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132073402 1199265405 /nfs/dbraw/zinc/26/54/05/1199265405.db2.gz VTTQACGWZKJGGK-HOTGVXAUSA-N 1 2 337.508 2.474 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132073402 1199265412 /nfs/dbraw/zinc/26/54/12/1199265412.db2.gz VTTQACGWZKJGGK-HOTGVXAUSA-N 1 2 337.508 2.474 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccn(C)n3)C2)CCC1 ZINC001132102591 1199295572 /nfs/dbraw/zinc/29/55/72/1199295572.db2.gz XUWPNSLIEJVWNI-JKSUJKDBSA-N 1 2 328.460 2.083 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ccn(C)n3)C2)CCC1 ZINC001132102591 1199295579 /nfs/dbraw/zinc/29/55/79/1199295579.db2.gz XUWPNSLIEJVWNI-JKSUJKDBSA-N 1 2 328.460 2.083 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001132250246 1199479821 /nfs/dbraw/zinc/47/98/21/1199479821.db2.gz ZLMUXFDWRYODDI-HUUCEWRRSA-N 1 2 348.443 2.474 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001132250246 1199479822 /nfs/dbraw/zinc/47/98/22/1199479822.db2.gz ZLMUXFDWRYODDI-HUUCEWRRSA-N 1 2 348.443 2.474 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132235626 1199481692 /nfs/dbraw/zinc/48/16/92/1199481692.db2.gz QQZKGFPPBOGHLF-IRXDYDNUSA-N 1 2 349.519 2.311 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132235626 1199481696 /nfs/dbraw/zinc/48/16/96/1199481696.db2.gz QQZKGFPPBOGHLF-IRXDYDNUSA-N 1 2 349.519 2.311 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCOC2CCOCC2)CC[C@@H]1C ZINC001132417406 1199689667 /nfs/dbraw/zinc/68/96/67/1199689667.db2.gz XBOMJDYBUCMSFF-LSDHHAIUSA-N 1 2 344.883 2.294 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCOC2CCOCC2)CC[C@@H]1C ZINC001132417406 1199689668 /nfs/dbraw/zinc/68/96/68/1199689668.db2.gz XBOMJDYBUCMSFF-LSDHHAIUSA-N 1 2 344.883 2.294 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001132529550 1199826257 /nfs/dbraw/zinc/82/62/57/1199826257.db2.gz OCFSTYHRTVMYEB-CJNGLKHVSA-N 1 2 335.448 2.353 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001132529550 1199826260 /nfs/dbraw/zinc/82/62/60/1199826260.db2.gz OCFSTYHRTVMYEB-CJNGLKHVSA-N 1 2 335.448 2.353 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(OC)c(Cl)c1 ZINC001018301437 1224585240 /nfs/dbraw/zinc/58/52/40/1224585240.db2.gz KFNBHSBBUNQSFC-OKILXGFUSA-N 1 2 333.819 2.056 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(OC)c(Cl)c1 ZINC001018301437 1224585244 /nfs/dbraw/zinc/58/52/44/1224585244.db2.gz KFNBHSBBUNQSFC-OKILXGFUSA-N 1 2 333.819 2.056 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(C(N)=O)cs3)CC2)cc1 ZINC000877745307 1200068898 /nfs/dbraw/zinc/06/88/98/1200068898.db2.gz PBLCFBPIOZPNBE-UHFFFAOYSA-N 1 2 326.425 2.041 20 30 EEEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1cc[nH]n1)CC2 ZINC001137126164 1200241777 /nfs/dbraw/zinc/24/17/77/1200241777.db2.gz BFQCSFJOHRSFCQ-UHFFFAOYSA-N 1 2 327.432 2.277 20 30 EEEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1cc[nH]n1)CC2 ZINC001137126164 1200241783 /nfs/dbraw/zinc/24/17/83/1200241783.db2.gz BFQCSFJOHRSFCQ-UHFFFAOYSA-N 1 2 327.432 2.277 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1)c1ccccc1 ZINC000878184762 1200309261 /nfs/dbraw/zinc/30/92/61/1200309261.db2.gz ADQJIMCFOHTPIT-SLFFLAALSA-N 1 2 342.439 2.307 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1)c1ccccc1 ZINC000878184762 1200309271 /nfs/dbraw/zinc/30/92/71/1200309271.db2.gz ADQJIMCFOHTPIT-SLFFLAALSA-N 1 2 342.439 2.307 20 30 EEEDLO CC(=O)N1CC[N@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C(C)(C)C1 ZINC000878373480 1200429686 /nfs/dbraw/zinc/42/96/86/1200429686.db2.gz MEYJOBBYLSLBOF-HXUWFJFHSA-N 1 2 341.455 2.370 20 30 EEEDLO CC(=O)N1CC[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C(C)(C)C1 ZINC000878373480 1200429689 /nfs/dbraw/zinc/42/96/89/1200429689.db2.gz MEYJOBBYLSLBOF-HXUWFJFHSA-N 1 2 341.455 2.370 20 30 EEEDLO C=CCCCC(=O)NCC[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC001133143148 1200495643 /nfs/dbraw/zinc/49/56/43/1200495643.db2.gz RDKOOCJRYNMHPD-NSHDSACASA-N 1 2 341.253 2.362 20 30 EEEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc(CCc2ccccc2)no1 ZINC001133145187 1200517554 /nfs/dbraw/zinc/51/75/54/1200517554.db2.gz SNHBENPXDGTBAS-UHFFFAOYSA-N 1 2 342.443 2.417 20 30 EEEDLO C#Cc1cccc(NC(=S)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000795134064 1200758935 /nfs/dbraw/zinc/75/89/35/1200758935.db2.gz YAPMXIZQBVWTPL-RHSMWYFYSA-N 1 2 329.469 2.160 20 30 EEEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000879768161 1201249067 /nfs/dbraw/zinc/24/90/67/1201249067.db2.gz XODHOIRBSYKNDV-HNNXBMFYSA-N 1 2 325.334 2.244 20 30 EEEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000879768161 1201249070 /nfs/dbraw/zinc/24/90/70/1201249070.db2.gz XODHOIRBSYKNDV-HNNXBMFYSA-N 1 2 325.334 2.244 20 30 EEEDLO N#CCC[NH+]1CCC2(CC1)C(=O)N(Cc1cnoc1)c1ccccc12 ZINC001274032377 1204339485 /nfs/dbraw/zinc/33/94/85/1204339485.db2.gz NCMDECDTNNGGAI-UHFFFAOYSA-N 1 2 336.395 2.469 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(N)ccnc1F ZINC001274118069 1204385397 /nfs/dbraw/zinc/38/53/97/1204385397.db2.gz WQFSMQHZMPSDOM-GOSISDBHSA-N 1 2 332.423 2.336 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(N)ccnc1F ZINC001274118069 1204385401 /nfs/dbraw/zinc/38/54/01/1204385401.db2.gz WQFSMQHZMPSDOM-GOSISDBHSA-N 1 2 332.423 2.336 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2c(F)c(OC)ccc2OC)C1=O ZINC001274338825 1205001879 /nfs/dbraw/zinc/00/18/79/1205001879.db2.gz ZUQXYVKKZPEWQL-IBGZPJMESA-N 1 2 346.402 2.043 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2c(F)c(OC)ccc2OC)C1=O ZINC001274338825 1205001881 /nfs/dbraw/zinc/00/18/81/1205001881.db2.gz ZUQXYVKKZPEWQL-IBGZPJMESA-N 1 2 346.402 2.043 20 30 EEEDLO C=CCN1CC2(C[NH+](Cc3ccc(C(C)(C)C)cc3O)C2)OCC1=O ZINC001274372512 1205014361 /nfs/dbraw/zinc/01/43/61/1205014361.db2.gz ODHUQSSJTDRVRE-UHFFFAOYSA-N 1 2 344.455 2.289 20 30 EEEDLO Cn1c[nH+]cc1CN1CC[C@@]2(CCCN2c2ccc(C#N)cc2)C1=O ZINC001274823046 1205177013 /nfs/dbraw/zinc/17/70/13/1205177013.db2.gz BWFFQTJMYLAMEP-IBGZPJMESA-N 1 2 335.411 2.063 20 30 EEEDLO N#Cc1ccccc1N1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001274818256 1205179203 /nfs/dbraw/zinc/17/92/03/1205179203.db2.gz YSJCUXOUOSWBMO-LJQANCHMSA-N 1 2 335.411 2.026 20 30 EEEDLO C=CCCOCC(=O)NC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095417856 1205719671 /nfs/dbraw/zinc/71/96/71/1205719671.db2.gz GRJBJHOLNSEJQW-UHFFFAOYSA-N 1 2 332.448 2.080 20 30 EEEDLO CCc1ccc(C[NH+]2CC3(CN(Cc4cc(C#N)n(C)c4)C3)C2)nc1 ZINC001276092525 1205777457 /nfs/dbraw/zinc/77/74/57/1205777457.db2.gz MPGXSQODOGFKBK-UHFFFAOYSA-N 1 2 335.455 2.172 20 30 EEEDLO CCc1ccc(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)nc1 ZINC001276092525 1205777459 /nfs/dbraw/zinc/77/74/59/1205777459.db2.gz MPGXSQODOGFKBK-UHFFFAOYSA-N 1 2 335.455 2.172 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnn1C(F)F)C2 ZINC001095468412 1205788417 /nfs/dbraw/zinc/78/84/17/1205788417.db2.gz JRORUDKKJKXFTD-VWYCJHECSA-N 1 2 330.766 2.366 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnn1C(F)F)C2 ZINC001095468412 1205788419 /nfs/dbraw/zinc/78/84/19/1205788419.db2.gz JRORUDKKJKXFTD-VWYCJHECSA-N 1 2 330.766 2.366 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)[nH]c(C3CC3)n1)C2 ZINC001095586429 1205883244 /nfs/dbraw/zinc/88/32/44/1205883244.db2.gz LGSPPRFHMYMYIZ-DYEKYZERSA-N 1 2 348.834 2.147 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)[nH]c(C3CC3)n1)C2 ZINC001095586429 1205883246 /nfs/dbraw/zinc/88/32/46/1205883246.db2.gz LGSPPRFHMYMYIZ-DYEKYZERSA-N 1 2 348.834 2.147 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@]2(C)CCCN(c3cc[nH+]c(C)n3)C2)nc1 ZINC001110941791 1206354598 /nfs/dbraw/zinc/35/45/98/1206354598.db2.gz MGQZJDZVNFDGSV-HXUWFJFHSA-N 1 2 349.438 2.198 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@]2(C)CCCN(c3cc[nH+]c(C)n3)C2)c1 ZINC001110961404 1206450726 /nfs/dbraw/zinc/45/07/26/1206450726.db2.gz DDUJGKNISXDWIH-FQEVSTJZSA-N 1 2 349.438 2.198 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC1CCCC1)C2 ZINC001111095657 1208160732 /nfs/dbraw/zinc/16/07/32/1208160732.db2.gz RPYVFGVGCONTCU-HPBDAGMYSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC1CCCC1)C2 ZINC001111095657 1208160733 /nfs/dbraw/zinc/16/07/33/1208160733.db2.gz RPYVFGVGCONTCU-HPBDAGMYSA-N 1 2 347.503 2.227 20 30 EEEDLO C[C@@H]1C[C@H](NC(=O)c2[nH]ncc2F)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000947698429 1208678048 /nfs/dbraw/zinc/67/80/48/1208678048.db2.gz OTLFEEPGPVFXCP-IUODEOHRSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@@H]1C[C@H](NC(=O)c2[nH]ncc2F)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000947698429 1208678050 /nfs/dbraw/zinc/67/80/50/1208678050.db2.gz OTLFEEPGPVFXCP-IUODEOHRSA-N 1 2 341.390 2.203 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)c1cc(F)c[nH]1 ZINC001015315897 1225093476 /nfs/dbraw/zinc/09/34/76/1225093476.db2.gz AYRLOYXBHHAVSH-INIZCTEOSA-N 1 2 329.350 2.149 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1cc(F)c[nH]1 ZINC001015315897 1225093485 /nfs/dbraw/zinc/09/34/85/1225093485.db2.gz AYRLOYXBHHAVSH-INIZCTEOSA-N 1 2 329.350 2.149 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001015343513 1225129012 /nfs/dbraw/zinc/12/90/12/1225129012.db2.gz IGRJSGREDWQEEF-OTWHNJEPSA-N 1 2 339.439 2.064 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001015343513 1225129015 /nfs/dbraw/zinc/12/90/15/1225129015.db2.gz IGRJSGREDWQEEF-OTWHNJEPSA-N 1 2 339.439 2.064 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnn(C)c1Cl ZINC000948932517 1209459690 /nfs/dbraw/zinc/45/96/90/1209459690.db2.gz KFQODTCJJULZEQ-MRXNPFEDSA-N 1 2 342.830 2.036 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnn(C)c1Cl ZINC000948932517 1209459692 /nfs/dbraw/zinc/45/96/92/1209459692.db2.gz KFQODTCJJULZEQ-MRXNPFEDSA-N 1 2 342.830 2.036 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(OC)ccn1 ZINC000948945787 1209466645 /nfs/dbraw/zinc/46/66/45/1209466645.db2.gz BUTUBFCLDKLREH-IBGZPJMESA-N 1 2 335.407 2.053 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(OC)ccn1 ZINC000948945787 1209466647 /nfs/dbraw/zinc/46/66/47/1209466647.db2.gz BUTUBFCLDKLREH-IBGZPJMESA-N 1 2 335.407 2.053 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1Cc2ccncc2C1 ZINC000948958500 1209474627 /nfs/dbraw/zinc/47/46/27/1209474627.db2.gz NKMOOLZZQQTCJH-WIYYLYMNSA-N 1 2 345.446 2.145 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1Cc2ccncc2C1 ZINC000948958500 1209474628 /nfs/dbraw/zinc/47/46/28/1209474628.db2.gz NKMOOLZZQQTCJH-WIYYLYMNSA-N 1 2 345.446 2.145 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C)nc1OC ZINC000948969263 1209479606 /nfs/dbraw/zinc/47/96/06/1209479606.db2.gz DHILTILSYDAYBQ-IBGZPJMESA-N 1 2 349.434 2.361 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C)nc1OC ZINC000948969263 1209479608 /nfs/dbraw/zinc/47/96/08/1209479608.db2.gz DHILTILSYDAYBQ-IBGZPJMESA-N 1 2 349.434 2.361 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](CCc2ccccc2F)C1 ZINC000949854643 1209887087 /nfs/dbraw/zinc/88/70/87/1209887087.db2.gz RNCLVRZURRFSPB-UHFFFAOYSA-N 1 2 340.402 2.414 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000950917152 1210503353 /nfs/dbraw/zinc/50/33/53/1210503353.db2.gz QLPLRFYJEKVCHK-KUHUBIRLSA-N 1 2 340.427 2.496 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC000951512131 1210857998 /nfs/dbraw/zinc/85/79/98/1210857998.db2.gz CYNOJTPHXZBHCO-INIZCTEOSA-N 1 2 344.459 2.114 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)cs1 ZINC001015604090 1225454041 /nfs/dbraw/zinc/45/40/41/1225454041.db2.gz GKMWWVPKBVXZRR-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)cs1 ZINC001015604090 1225454046 /nfs/dbraw/zinc/45/40/46/1225454046.db2.gz GKMWWVPKBVXZRR-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)C(C)C)C2)CC1 ZINC000956598915 1214122173 /nfs/dbraw/zinc/12/21/73/1214122173.db2.gz IUDDWOZHOPGUBH-SJORKVTESA-N 1 2 349.519 2.236 20 30 EEEDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000092917352 1214693413 /nfs/dbraw/zinc/69/34/13/1214693413.db2.gz KNFYLFHMFUVRQM-ZDUSSCGKSA-N 1 2 344.390 2.272 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001015683594 1225546930 /nfs/dbraw/zinc/54/69/30/1225546930.db2.gz ICHMMOJZCYYMHR-CYBMUJFWSA-N 1 2 345.353 2.223 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001015683594 1225546934 /nfs/dbraw/zinc/54/69/34/1225546934.db2.gz ICHMMOJZCYYMHR-CYBMUJFWSA-N 1 2 345.353 2.223 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1C[C@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001114792894 1215308692 /nfs/dbraw/zinc/30/86/92/1215308692.db2.gz HXTXOIXFRKWVEZ-JOCQHMNTSA-N 1 2 328.420 2.026 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nnc(C4CC4)o3)C[C@H]21 ZINC001114792768 1215308901 /nfs/dbraw/zinc/30/89/01/1215308901.db2.gz WRNHNSRPUCQYKZ-OJIVJNGMSA-N 1 2 330.432 2.096 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C4CC4)o3)C[C@H]21 ZINC001114792768 1215308905 /nfs/dbraw/zinc/30/89/05/1215308905.db2.gz WRNHNSRPUCQYKZ-OJIVJNGMSA-N 1 2 330.432 2.096 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001114807123 1215410674 /nfs/dbraw/zinc/41/06/74/1215410674.db2.gz NSJIYCBEKZRYMV-RBSFLKMASA-N 1 2 346.479 2.155 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)O1 ZINC001015729237 1225601871 /nfs/dbraw/zinc/60/18/71/1225601871.db2.gz RQNNSPAFSHNJEP-ZTFGCOKTSA-N 1 2 346.858 2.450 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)O1 ZINC001015729237 1225601881 /nfs/dbraw/zinc/60/18/81/1225601881.db2.gz RQNNSPAFSHNJEP-ZTFGCOKTSA-N 1 2 346.858 2.450 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cc(F)ccc4C#N)C[C@H]32)co1 ZINC000958668490 1215826371 /nfs/dbraw/zinc/82/63/71/1215826371.db2.gz MQWRZAWYKSZRKK-PIIMJCKOSA-N 1 2 339.370 2.459 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cc(F)ccc4C#N)C[C@H]32)co1 ZINC000958668490 1215826374 /nfs/dbraw/zinc/82/63/74/1215826374.db2.gz MQWRZAWYKSZRKK-PIIMJCKOSA-N 1 2 339.370 2.459 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2cnsn2)cc1 ZINC000960078459 1216340896 /nfs/dbraw/zinc/34/08/96/1216340896.db2.gz ANLLASGUHXGODG-KRWDZBQOSA-N 1 2 340.452 2.304 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2cscn2)cn1 ZINC000960975846 1216996206 /nfs/dbraw/zinc/99/62/06/1216996206.db2.gz IHLOKNMEXSAJSZ-KRWDZBQOSA-N 1 2 340.452 2.256 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2cscn2)cn1 ZINC000960975846 1216996208 /nfs/dbraw/zinc/99/62/08/1216996208.db2.gz IHLOKNMEXSAJSZ-KRWDZBQOSA-N 1 2 340.452 2.256 20 30 EEEDLO Cc1coc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cc(F)ccc4C#N)C[C@H]32)c1 ZINC000961539510 1217217121 /nfs/dbraw/zinc/21/71/21/1217217121.db2.gz YSRMADLNXGOAHY-VQFNDLOPSA-N 1 2 339.370 2.459 20 30 EEEDLO Cc1coc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cc(F)ccc4C#N)C[C@H]32)c1 ZINC000961539510 1217217122 /nfs/dbraw/zinc/21/71/22/1217217122.db2.gz YSRMADLNXGOAHY-VQFNDLOPSA-N 1 2 339.370 2.459 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1Cc2ccccc21 ZINC000961633773 1217252480 /nfs/dbraw/zinc/25/24/80/1217252480.db2.gz BJCLXEJUGQPAPE-CAOSSQGBSA-N 1 2 347.256 2.281 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1Cc2ccccc21 ZINC000961633773 1217252484 /nfs/dbraw/zinc/25/24/84/1217252484.db2.gz BJCLXEJUGQPAPE-CAOSSQGBSA-N 1 2 347.256 2.281 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)nc3n[nH]c(C)c32)C1 ZINC001015839495 1225729507 /nfs/dbraw/zinc/72/95/07/1225729507.db2.gz JLCKVQCADBSTCR-GFCCVEGCSA-N 1 2 333.823 2.131 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)nc3n[nH]c(C)c32)C1 ZINC001015839495 1225729511 /nfs/dbraw/zinc/72/95/11/1225729511.db2.gz JLCKVQCADBSTCR-GFCCVEGCSA-N 1 2 333.823 2.131 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)c4nnc(C)o4)C[C@H]32)CC1 ZINC000961686846 1217275739 /nfs/dbraw/zinc/27/57/39/1217275739.db2.gz KXATZIPOHDKLOZ-FWYOQMDTSA-N 1 2 330.432 2.232 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)c4nnc(C)o4)C[C@H]32)CC1 ZINC000961686846 1217275742 /nfs/dbraw/zinc/27/57/42/1217275742.db2.gz KXATZIPOHDKLOZ-FWYOQMDTSA-N 1 2 330.432 2.232 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC000963526979 1217844822 /nfs/dbraw/zinc/84/48/22/1217844822.db2.gz MSAGSBRFFNZIED-SPYBWZPUSA-N 1 2 344.459 2.146 20 30 EEEDLO COc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)o1 ZINC001015892693 1225795760 /nfs/dbraw/zinc/79/57/60/1225795760.db2.gz DFFMTLDMWUJJDA-OAHLLOKOSA-N 1 2 325.368 2.164 20 30 EEEDLO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)o1 ZINC001015892693 1225795766 /nfs/dbraw/zinc/79/57/66/1225795766.db2.gz DFFMTLDMWUJJDA-OAHLLOKOSA-N 1 2 325.368 2.164 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000965136399 1218919595 /nfs/dbraw/zinc/91/95/95/1218919595.db2.gz OFPMZCWREKKJRE-KSSFIOAISA-N 1 2 332.448 2.052 20 30 EEEDLO C[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1ccon1 ZINC000965292102 1219009911 /nfs/dbraw/zinc/00/99/11/1219009911.db2.gz KJVYFJNXJHWLJB-RDTXWAMCSA-N 1 2 341.386 2.306 20 30 EEEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1ccon1 ZINC000965292102 1219009915 /nfs/dbraw/zinc/00/99/15/1219009915.db2.gz KJVYFJNXJHWLJB-RDTXWAMCSA-N 1 2 341.386 2.306 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1NC(=O)c1cnns1 ZINC000965395541 1219053327 /nfs/dbraw/zinc/05/33/27/1219053327.db2.gz PZWSHJTXJFNVGY-DOMZBBRYSA-N 1 2 341.440 2.050 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1NC(=O)c1cnns1 ZINC000965395541 1219053328 /nfs/dbraw/zinc/05/33/28/1219053328.db2.gz PZWSHJTXJFNVGY-DOMZBBRYSA-N 1 2 341.440 2.050 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cnns1 ZINC000965395925 1219054126 /nfs/dbraw/zinc/05/41/26/1219054126.db2.gz RBDUNZJOUYZOIE-IUODEOHRSA-N 1 2 341.440 2.050 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cnns1 ZINC000965395925 1219054129 /nfs/dbraw/zinc/05/41/29/1219054129.db2.gz RBDUNZJOUYZOIE-IUODEOHRSA-N 1 2 341.440 2.050 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3nnc(CC)[nH]3)C[C@H]21 ZINC001114896204 1219417291 /nfs/dbraw/zinc/41/72/91/1219417291.db2.gz LAPYOWLXJFCNDI-CXTNEJHOSA-N 1 2 331.464 2.077 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3nnc(CC)[nH]3)C[C@H]21 ZINC001114896204 1219417292 /nfs/dbraw/zinc/41/72/92/1219417292.db2.gz LAPYOWLXJFCNDI-CXTNEJHOSA-N 1 2 331.464 2.077 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccnn2CC(F)F)C1 ZINC000966103446 1219517104 /nfs/dbraw/zinc/51/71/04/1219517104.db2.gz LTPGIDHAGQCFOR-CMPLNLGQSA-N 1 2 346.809 2.341 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccnn2CC(F)F)C1 ZINC000966103446 1219517105 /nfs/dbraw/zinc/51/71/05/1219517105.db2.gz LTPGIDHAGQCFOR-CMPLNLGQSA-N 1 2 346.809 2.341 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000967112274 1220283808 /nfs/dbraw/zinc/28/38/08/1220283808.db2.gz ATRLFQZYWLBXSM-LIRRHRJNSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000968505096 1221360175 /nfs/dbraw/zinc/36/01/75/1221360175.db2.gz MNFQPHNMYRRBNZ-BBRMVZONSA-N 1 2 325.416 2.098 20 30 EEEDLO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000968505096 1221360180 /nfs/dbraw/zinc/36/01/80/1221360180.db2.gz MNFQPHNMYRRBNZ-BBRMVZONSA-N 1 2 325.416 2.098 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc[nH]3)C2)c(F)c1 ZINC001006741422 1221918390 /nfs/dbraw/zinc/91/83/90/1221918390.db2.gz ISCQHQCSNGBDLO-OAHLLOKOSA-N 1 2 326.375 2.420 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc[nH]3)C2)c(F)c1 ZINC001006741422 1221918394 /nfs/dbraw/zinc/91/83/94/1221918394.db2.gz ISCQHQCSNGBDLO-OAHLLOKOSA-N 1 2 326.375 2.420 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)C1=CCOCC1 ZINC001007177949 1222121442 /nfs/dbraw/zinc/12/14/42/1222121442.db2.gz QMGXZSWMBSUGAO-IBGZPJMESA-N 1 2 342.414 2.105 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)C1=CCOCC1 ZINC001007177949 1222121445 /nfs/dbraw/zinc/12/14/45/1222121445.db2.gz QMGXZSWMBSUGAO-IBGZPJMESA-N 1 2 342.414 2.105 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)nn1 ZINC001007310673 1222164686 /nfs/dbraw/zinc/16/46/86/1222164686.db2.gz GHOWTNOCMYCEPQ-QGZVFWFLSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)nn1 ZINC001007310673 1222164688 /nfs/dbraw/zinc/16/46/88/1222164688.db2.gz GHOWTNOCMYCEPQ-QGZVFWFLSA-N 1 2 335.411 2.051 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1ccsn1 ZINC001007594233 1222315092 /nfs/dbraw/zinc/31/50/92/1222315092.db2.gz YCIOUWWWMRRTRX-INIZCTEOSA-N 1 2 325.437 2.389 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1ccsn1 ZINC001007594233 1222315095 /nfs/dbraw/zinc/31/50/95/1222315095.db2.gz YCIOUWWWMRRTRX-INIZCTEOSA-N 1 2 325.437 2.389 20 30 EEEDLO Cc1nnccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001007811103 1222433149 /nfs/dbraw/zinc/43/31/49/1222433149.db2.gz JZGFVFXOMSLEOY-CYBMUJFWSA-N 1 2 341.440 2.113 20 30 EEEDLO Cc1nnccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001007811103 1222433151 /nfs/dbraw/zinc/43/31/51/1222433151.db2.gz JZGFVFXOMSLEOY-CYBMUJFWSA-N 1 2 341.440 2.113 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(C)nnn3CC)C2)CC1 ZINC001008410538 1222816818 /nfs/dbraw/zinc/81/68/18/1222816818.db2.gz IRUQKBWYOHFIHD-QGZVFWFLSA-N 1 2 345.491 2.433 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3c(C)nnn3CC)C2)CC1 ZINC001008410538 1222816821 /nfs/dbraw/zinc/81/68/21/1222816821.db2.gz IRUQKBWYOHFIHD-QGZVFWFLSA-N 1 2 345.491 2.433 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(C)ns3)C2)c1 ZINC001008467655 1222862853 /nfs/dbraw/zinc/86/28/53/1222862853.db2.gz FNLDWVUYLAUQHO-MRXNPFEDSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(C)ns3)C2)c1 ZINC001008467655 1222862859 /nfs/dbraw/zinc/86/28/59/1222862859.db2.gz FNLDWVUYLAUQHO-MRXNPFEDSA-N 1 2 340.452 2.222 20 30 EEEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC001009257533 1223190919 /nfs/dbraw/zinc/19/09/19/1223190919.db2.gz FAXCFUCYHLSPJS-PODYEWJSSA-N 1 2 333.819 2.040 20 30 EEEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC001009257533 1223190921 /nfs/dbraw/zinc/19/09/21/1223190921.db2.gz FAXCFUCYHLSPJS-PODYEWJSSA-N 1 2 333.819 2.040 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001009743908 1223352316 /nfs/dbraw/zinc/35/23/16/1223352316.db2.gz OAONRBUQEMFGMK-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001009743908 1223352321 /nfs/dbraw/zinc/35/23/21/1223352321.db2.gz OAONRBUQEMFGMK-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)cn1 ZINC001010177632 1223589336 /nfs/dbraw/zinc/58/93/36/1223589336.db2.gz LFXMDASOTATQSB-QGZVFWFLSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)cn1 ZINC001010177632 1223589338 /nfs/dbraw/zinc/58/93/38/1223589338.db2.gz LFXMDASOTATQSB-QGZVFWFLSA-N 1 2 338.386 2.405 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001010816046 1223922008 /nfs/dbraw/zinc/92/20/08/1223922008.db2.gz YQMTZEZKGKUXNW-GOSISDBHSA-N 1 2 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Cn1cc(Cl)c(C[N@@H+](C)C[C@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC001017127847 1227151129 /nfs/dbraw/zinc/15/11/29/1227151129.db2.gz QHDFNEWWJPXNHW-OAHLLOKOSA-N 1 2 348.878 2.157 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H](C[N@H+](C)Cc2nnc(C)[nH]2)C1 ZINC001017200660 1227222176 /nfs/dbraw/zinc/22/21/76/1227222176.db2.gz CKQSOQUFPOAVSH-CRAIPNDOSA-N 1 2 333.480 2.386 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2nnc(C)[nH]2)C1 ZINC001017200660 1227222179 /nfs/dbraw/zinc/22/21/79/1227222179.db2.gz CKQSOQUFPOAVSH-CRAIPNDOSA-N 1 2 333.480 2.386 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001017546606 1227507946 /nfs/dbraw/zinc/50/79/46/1227507946.db2.gz VUYNOFNMTBZCRN-HUUCEWRRSA-N 1 2 342.443 2.000 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001017546606 1227507956 /nfs/dbraw/zinc/50/79/56/1227507956.db2.gz VUYNOFNMTBZCRN-HUUCEWRRSA-N 1 2 342.443 2.000 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C2CCCC2)n1 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ZINC001041537472 1231586806 /nfs/dbraw/zinc/58/68/06/1231586806.db2.gz XMQKAOMCOKOWKV-SFHVURJKSA-N 1 2 331.464 2.140 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4nonc4C)[C@@H]3C2)C1 ZINC001042224134 1231966325 /nfs/dbraw/zinc/96/63/25/1231966325.db2.gz JADRWWADALWILY-GOEBONIOSA-N 1 2 330.432 2.157 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@H+](Cc4nonc4C)[C@@H]3C2)C1 ZINC001042224134 1231966329 /nfs/dbraw/zinc/96/63/29/1231966329.db2.gz JADRWWADALWILY-GOEBONIOSA-N 1 2 330.432 2.157 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cn(CC)nn4)[C@@H]3C2)C1 ZINC001042224015 1231966650 /nfs/dbraw/zinc/96/66/50/1231966650.db2.gz IHBSUQQVTQXIHL-NVXWUHKLSA-N 1 2 343.475 2.077 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4cn(CC)nn4)[C@@H]3C2)C1 ZINC001042224015 1231966653 /nfs/dbraw/zinc/96/66/53/1231966653.db2.gz IHBSUQQVTQXIHL-NVXWUHKLSA-N 1 2 343.475 2.077 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(CC)o4)[C@H]3C2)C1 ZINC001042225809 1231967676 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20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(CC)c(C)s1)CO2 ZINC001054002946 1247135149 /nfs/dbraw/zinc/13/51/49/1247135149.db2.gz MDMXHDGTMNSMKY-HNNXBMFYSA-N 1 2 332.469 2.215 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1c[nH]c3ccc(F)cc31)CO2 ZINC001054022983 1247164270 /nfs/dbraw/zinc/16/42/70/1247164270.db2.gz QVPWREDCYZTKCN-AWEZNQCLSA-N 1 2 343.402 2.456 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1csnc1C ZINC001054037928 1247193181 /nfs/dbraw/zinc/19/31/81/1247193181.db2.gz RFPXRAYKYOHHIF-MRXNPFEDSA-N 1 2 325.437 2.241 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1csnc1C ZINC001054037928 1247193191 /nfs/dbraw/zinc/19/31/91/1247193191.db2.gz RFPXRAYKYOHHIF-MRXNPFEDSA-N 1 2 325.437 2.241 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C)nc(C)n1 ZINC001054055491 1247249639 /nfs/dbraw/zinc/24/96/39/1247249639.db2.gz MDYKMGQWDULQEO-IBGZPJMESA-N 1 2 348.450 2.273 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C)nc(C)n1 ZINC001054055491 1247249650 /nfs/dbraw/zinc/24/96/50/1247249650.db2.gz MDYKMGQWDULQEO-IBGZPJMESA-N 1 2 348.450 2.273 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccnc(C2CC2)n1 ZINC001054056092 1247252440 /nfs/dbraw/zinc/25/24/40/1247252440.db2.gz XUEJGAUNDLZFSP-GOSISDBHSA-N 1 2 346.434 2.144 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccnc(C2CC2)n1 ZINC001054056092 1247252449 /nfs/dbraw/zinc/25/24/49/1247252449.db2.gz XUEJGAUNDLZFSP-GOSISDBHSA-N 1 2 346.434 2.144 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1COc2ccccc21 ZINC001054060854 1247275708 /nfs/dbraw/zinc/27/57/08/1247275708.db2.gz SLCUXCUJLJQDEM-AZUAARDMSA-N 1 2 346.430 2.339 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1COc2ccccc21 ZINC001054060854 1247275712 /nfs/dbraw/zinc/27/57/12/1247275712.db2.gz SLCUXCUJLJQDEM-AZUAARDMSA-N 1 2 346.430 2.339 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3OCC[C@H]3C(C)C)cc2C1 ZINC001054265062 1247933754 /nfs/dbraw/zinc/93/37/54/1247933754.db2.gz CFSRLONRRWDXMK-OALUTQOASA-N 1 2 326.440 2.313 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3OCC[C@H]3C(C)C)cc2C1 ZINC001054265062 1247933759 /nfs/dbraw/zinc/93/37/59/1247933759.db2.gz CFSRLONRRWDXMK-OALUTQOASA-N 1 2 326.440 2.313 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc4c[nH]ccc-4n3)cc2C1 ZINC001054269735 1247956508 /nfs/dbraw/zinc/95/65/08/1247956508.db2.gz OEFYGSZFDKNPJI-UHFFFAOYSA-N 1 2 330.391 2.442 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc4c[nH]ccc-4n3)cc2C1 ZINC001054269735 1247956517 /nfs/dbraw/zinc/95/65/17/1247956517.db2.gz OEFYGSZFDKNPJI-UHFFFAOYSA-N 1 2 330.391 2.442 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[C@@H]3OC)cc2C1 ZINC001054293041 1248031656 /nfs/dbraw/zinc/03/16/56/1248031656.db2.gz KTHNDRGTWOUIFY-OALUTQOASA-N 1 2 326.440 2.457 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[C@@H]3OC)cc2C1 ZINC001054293041 1248031664 /nfs/dbraw/zinc/03/16/64/1248031664.db2.gz KTHNDRGTWOUIFY-OALUTQOASA-N 1 2 326.440 2.457 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCO[C@@H]([C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001068241433 1250580839 /nfs/dbraw/zinc/58/08/39/1250580839.db2.gz DGSJVTCFKJOWHV-UKRRQHHQSA-N 1 2 332.448 2.415 20 30 EEEDLO C=CCC(CC=C)C(=O)NC[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001098069432 1251292209 /nfs/dbraw/zinc/29/22/09/1251292209.db2.gz MEZHTPQBYRVHED-GFCCVEGCSA-N 1 2 328.420 2.048 20 30 EEEDLO Cc1nc(N[C@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)c2c([nH+]1)CCCC2 ZINC001069090327 1252217658 /nfs/dbraw/zinc/21/76/58/1252217658.db2.gz MLNRQTYQFQCEPR-CJNGLKHVSA-N 1 2 338.455 2.479 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](Nc2cccc(F)c2C#N)C[C@H]1C ZINC001069131043 1252314932 /nfs/dbraw/zinc/31/49/32/1252314932.db2.gz YSAMIGLIKKKAQX-YPMHNXCESA-N 1 2 341.390 2.373 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001070742729 1253758153 /nfs/dbraw/zinc/75/81/53/1253758153.db2.gz RXJYQKBFYDCEFV-DLBZAZTESA-N 1 2 344.459 2.135 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001071261615 1254094517 /nfs/dbraw/zinc/09/45/17/1254094517.db2.gz HCFUULQXKVDJLB-BEFAXECRSA-N 1 2 346.475 2.062 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001071293084 1254104856 /nfs/dbraw/zinc/10/48/56/1254104856.db2.gz ZCHPLLGXXRSFLB-KGLIPLIRSA-N 1 2 344.459 2.149 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C[N@@H+]1Cc1ccns1 ZINC001071438463 1254185651 /nfs/dbraw/zinc/18/56/51/1254185651.db2.gz PSCGJPADWCJXSV-AAEUAGOBSA-N 1 2 329.429 2.126 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1Cc1ccns1 ZINC001071438463 1254185656 /nfs/dbraw/zinc/18/56/56/1254185656.db2.gz PSCGJPADWCJXSV-AAEUAGOBSA-N 1 2 329.429 2.126 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccnn2CC(F)F)CC[C@H]1C ZINC001071511454 1254299332 /nfs/dbraw/zinc/29/93/32/1254299332.db2.gz MRDACTWPLNCYJP-VXGBXAGGSA-N 1 2 346.809 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccnn2CC(F)F)CC[C@H]1C ZINC001071511454 1254299340 /nfs/dbraw/zinc/29/93/40/1254299340.db2.gz MRDACTWPLNCYJP-VXGBXAGGSA-N 1 2 346.809 2.483 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccn(C)n2)C1 ZINC001071572362 1254356376 /nfs/dbraw/zinc/35/63/76/1254356376.db2.gz UWQRLZHMKKOHCM-JKSUJKDBSA-N 1 2 341.459 2.191 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccn(C)n2)C1 ZINC001071572362 1254356389 /nfs/dbraw/zinc/35/63/89/1254356389.db2.gz UWQRLZHMKKOHCM-JKSUJKDBSA-N 1 2 341.459 2.191 20 30 EEEDLO C#CCC[N@H+]1C[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)CC[C@H]1C ZINC001071637969 1254448394 /nfs/dbraw/zinc/44/83/94/1254448394.db2.gz BCZOEHJRZKQWPV-HUUCEWRRSA-N 1 2 337.423 2.134 20 30 EEEDLO C#CCC[N@@H+]1C[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)CC[C@H]1C ZINC001071637969 1254448398 /nfs/dbraw/zinc/44/83/98/1254448398.db2.gz BCZOEHJRZKQWPV-HUUCEWRRSA-N 1 2 337.423 2.134 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2csnn2)C[N@@H+]1CC#Cc1ccccc1 ZINC001071711568 1254545269 /nfs/dbraw/zinc/54/52/69/1254545269.db2.gz AKAGEJBQQYAAPB-GOEBONIOSA-N 1 2 340.452 2.173 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2csnn2)C[N@H+]1CC#Cc1ccccc1 ZINC001071711568 1254545291 /nfs/dbraw/zinc/54/52/91/1254545291.db2.gz AKAGEJBQQYAAPB-GOEBONIOSA-N 1 2 340.452 2.173 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)c2csnn2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001071712680 1254550074 /nfs/dbraw/zinc/55/00/74/1254550074.db2.gz SFHKKCSFILVBFX-MNOVXSKESA-N 1 2 347.469 2.254 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)c2csnn2)C[N@H+]1Cc1ccc(C#N)s1 ZINC001071712680 1254550076 /nfs/dbraw/zinc/55/00/76/1254550076.db2.gz SFHKKCSFILVBFX-MNOVXSKESA-N 1 2 347.469 2.254 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)c2cnco2)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001071719863 1254566552 /nfs/dbraw/zinc/56/65/52/1254566552.db2.gz ZUWHNVVHHRVIPE-PBHICJAKSA-N 1 2 341.386 2.448 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)c2cnco2)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC001071719863 1254566560 /nfs/dbraw/zinc/56/65/60/1254566560.db2.gz ZUWHNVVHHRVIPE-PBHICJAKSA-N 1 2 341.386 2.448 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C)CC1 ZINC001072317999 1255082896 /nfs/dbraw/zinc/08/28/96/1255082896.db2.gz XPFNLUNSZMKJIJ-HOCLYGCPSA-N 1 2 344.459 2.052 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C)CC1 ZINC001072317999 1255082903 /nfs/dbraw/zinc/08/29/03/1255082903.db2.gz XPFNLUNSZMKJIJ-HOCLYGCPSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(C)C[N@@H+]1CCn2c(nnc2C2CCN(C(=O)[C@H](C)CC)CC2)C1 ZINC001074105885 1256718832 /nfs/dbraw/zinc/71/88/32/1256718832.db2.gz MBZNVDCJSHSNBO-OAHLLOKOSA-N 1 2 345.491 2.422 20 30 EEEDLO C=C(C)C[N@H+]1CCn2c(nnc2C2CCN(C(=O)[C@H](C)CC)CC2)C1 ZINC001074105885 1256718836 /nfs/dbraw/zinc/71/88/36/1256718836.db2.gz MBZNVDCJSHSNBO-OAHLLOKOSA-N 1 2 345.491 2.422 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc4c3OCC4)C[C@H]21 ZINC001074337931 1256918779 /nfs/dbraw/zinc/91/87/79/1256918779.db2.gz FQVIGZPLUHZMRA-MSOLQXFVSA-N 1 2 342.439 2.113 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc4c3OCC4)C[C@H]21 ZINC001074337931 1256918783 /nfs/dbraw/zinc/91/87/83/1256918783.db2.gz FQVIGZPLUHZMRA-MSOLQXFVSA-N 1 2 342.439 2.113 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C)cc(C)c3)C[C@@H]21 ZINC001074390910 1256971183 /nfs/dbraw/zinc/97/11/83/1256971183.db2.gz ULGXWPQZPJCGTR-RBUKOAKNSA-N 1 2 326.440 2.242 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C)cc(C)c3)C[C@@H]21 ZINC001074390910 1256971188 /nfs/dbraw/zinc/97/11/88/1256971188.db2.gz ULGXWPQZPJCGTR-RBUKOAKNSA-N 1 2 326.440 2.242 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001075044976 1257296792 /nfs/dbraw/zinc/29/67/92/1257296792.db2.gz CQUGRDITKYDFRI-NVXWUHKLSA-N 1 2 344.459 2.147 20 30 EEEDLO C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)Nc1ncc(C#N)cc1F ZINC001098373333 1257660545 /nfs/dbraw/zinc/66/05/45/1257660545.db2.gz QAANCMPXBQRZJR-JTQLQIEISA-N 1 2 338.346 2.199 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(C)c1C1CC1)C2 ZINC001098495993 1257712612 /nfs/dbraw/zinc/71/26/12/1257712612.db2.gz OALUTCBCRCAZJO-YUELXQCFSA-N 1 2 334.851 2.385 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(C)c1C1CC1)C2 ZINC001098495993 1257712615 /nfs/dbraw/zinc/71/26/15/1257712615.db2.gz OALUTCBCRCAZJO-YUELXQCFSA-N 1 2 334.851 2.385 20 30 EEEDLO Cc1nc(NC[C@H]2CCN(C(=O)CC#Cc3ccccc3)C2)cc[nH+]1 ZINC001098532088 1257716514 /nfs/dbraw/zinc/71/65/14/1257716514.db2.gz OWJPVUFFAPAUPI-GOSISDBHSA-N 1 2 334.423 2.487 20 30 EEEDLO N#Cc1cccnc1N[C@@H]1CCC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001098617204 1257726028 /nfs/dbraw/zinc/72/60/28/1257726028.db2.gz LNPMKXQQFUWNCI-LSDHHAIUSA-N 1 2 338.415 2.148 20 30 EEEDLO C=CCOCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cc(C)n(C)n1 ZINC001098966368 1257891927 /nfs/dbraw/zinc/89/19/27/1257891927.db2.gz LQHWFYXAXAOYEH-KRWDZBQOSA-N 1 2 348.491 2.038 20 30 EEEDLO C=CCOCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cc(C)n(C)n1 ZINC001098966368 1257891939 /nfs/dbraw/zinc/89/19/39/1257891939.db2.gz LQHWFYXAXAOYEH-KRWDZBQOSA-N 1 2 348.491 2.038 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)CC2(CCOCC2)C1 ZINC001099581403 1258224943 /nfs/dbraw/zinc/22/49/43/1258224943.db2.gz 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/nfs/dbraw/zinc/07/38/90/1302073890.db2.gz ICJRLQBZFRSTMJ-CQSZACIVSA-N 1 2 338.415 2.483 20 30 EEEDLO CC[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)Nc1ccc(C#N)nc1 ZINC001103326858 1302742280 /nfs/dbraw/zinc/74/22/80/1302742280.db2.gz OYJYRKMLHXPGGQ-KBPBESRZSA-N 1 2 326.404 2.108 20 30 EEEDLO N#Cc1ccc(NCC2(NC(=O)CCn3cc[nH+]c3)CCCC2)nc1 ZINC001103451413 1302980436 /nfs/dbraw/zinc/98/04/36/1302980436.db2.gz ZZCUBZQYPDEILR-UHFFFAOYSA-N 1 2 338.415 2.081 20 30 EEEDLO C=CCCC(=O)N[C@](C)(CNc1[nH+]cnc2c1cnn2C)C1CC1 ZINC001103490921 1303029210 /nfs/dbraw/zinc/02/92/10/1303029210.db2.gz BCWSDHMRYQGBAO-QGZVFWFLSA-N 1 2 328.420 2.026 20 30 EEEDLO C=CCCC(=O)N[C@@](C)(CNc1[nH+]cnc2c1cnn2C)C1CC1 ZINC001103490920 1303029549 /nfs/dbraw/zinc/02/95/49/1303029549.db2.gz BCWSDHMRYQGBAO-KRWDZBQOSA-N 1 2 328.420 2.026 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CCC(CCNc2cc[nH+]c(C)n2)CC1 ZINC001103622649 1303167979 /nfs/dbraw/zinc/16/79/79/1303167979.db2.gz ONTMXRIIYXPBHL-CQSZACIVSA-N 1 2 332.448 2.417 20 30 EEEDLO C#CCC1(C(=O)NC2CC[NH+](Cc3ccn(C)n3)CC2)CCCCC1 ZINC001230404763 1303199278 /nfs/dbraw/zinc/19/92/78/1303199278.db2.gz NOARUKBCHLNNSH-UHFFFAOYSA-N 1 2 342.487 2.475 20 30 EEEDLO Cc1nc(N2CCC[C@@H]2CCNC(=O)[C@H](C)C#N)c2c([nH+]1)CCCC2 ZINC001103724026 1303264228 /nfs/dbraw/zinc/26/42/28/1303264228.db2.gz LGVUMWVONFBEKZ-UKRRQHHQSA-N 1 2 341.459 2.299 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCCN2C(=O)CCCn2cc[nH+]c2)nc1 ZINC001103807693 1303357140 /nfs/dbraw/zinc/35/71/40/1303357140.db2.gz RBXWRMIZYMZUBJ-MRXNPFEDSA-N 1 2 338.415 2.033 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)C[C@@H]1CCCO1 ZINC001230866087 1303510980 /nfs/dbraw/zinc/51/09/80/1303510980.db2.gz NZWDDCFGUJIQIV-IRXDYDNUSA-N 1 2 345.418 2.299 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)C[C@@H]1CCCO1 ZINC001230866087 1303510984 /nfs/dbraw/zinc/51/09/84/1303510984.db2.gz NZWDDCFGUJIQIV-IRXDYDNUSA-N 1 2 345.418 2.299 20 30 EEEDLO C=CCN1CC[NH+](Cc2ccc(OCCCOC)c(OC)c2)CC1 ZINC001231543590 1303839686 /nfs/dbraw/zinc/83/96/86/1303839686.db2.gz SBAWZRIRFNSMJU-UHFFFAOYSA-N 1 2 334.460 2.414 20 30 EEEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(CC)n1C)C2 ZINC001111764050 1303854508 /nfs/dbraw/zinc/85/45/08/1303854508.db2.gz WEXMZBZHJBLZTH-KXBFYZLASA-N 1 2 345.491 2.205 20 30 EEEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(CC)n1C)C2 ZINC001111764050 1303854513 /nfs/dbraw/zinc/85/45/13/1303854513.db2.gz WEXMZBZHJBLZTH-KXBFYZLASA-N 1 2 345.491 2.205 20 30 EEEDLO C#CC[NH+]1CCN(Cc2cccnc2NC(=O)OC(C)(C)C)CC1 ZINC001232543728 1304167647 /nfs/dbraw/zinc/16/76/47/1304167647.db2.gz YIALAVLZOVOVGJ-UHFFFAOYSA-N 1 2 330.432 2.179 20 30 EEEDLO N#Cc1ccc(O)c(C[NH+]2C[C@@H]3CN(C(=O)c4ccco4)C[C@H]3C2)c1 ZINC001232677897 1304213000 /nfs/dbraw/zinc/21/30/00/1304213000.db2.gz RLRJLAJSEXYQSA-HZPDHXFCSA-N 1 2 337.379 2.061 20 30 EEEDLO COc1cccnc1O[C@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232680524 1304214451 /nfs/dbraw/zinc/21/44/51/1304214451.db2.gz DNLGEBDCFNKXMI-HNNXBMFYSA-N 1 2 325.368 2.321 20 30 EEEDLO COc1cccnc1O[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232680524 1304214457 /nfs/dbraw/zinc/21/44/57/1304214457.db2.gz DNLGEBDCFNKXMI-HNNXBMFYSA-N 1 2 325.368 2.321 20 30 EEEDLO N#Cc1ccc(O)c(C[NH+]2CCC(NC(=O)c3ccccn3)CC2)c1 ZINC001232681550 1304214654 /nfs/dbraw/zinc/21/46/54/1304214654.db2.gz QHKDEEPMVHHIOB-UHFFFAOYSA-N 1 2 336.395 2.053 20 30 EEEDLO C=CCCCC(=O)N(C)CCCN(C)c1[nH+]cnc2c1cnn2C ZINC001112166924 1304290702 /nfs/dbraw/zinc/29/07/02/1304290702.db2.gz PLYRRBLQCKUDFX-UHFFFAOYSA-N 1 2 330.436 2.004 20 30 EEEDLO C[C@@H](CC(=O)N(C)CCCN(C)c1ccncc1C#N)n1cc[nH+]c1 ZINC001112183945 1304305203 /nfs/dbraw/zinc/30/52/03/1304305203.db2.gz IWAYOFAANMTJEL-HNNXBMFYSA-N 1 2 340.431 2.086 20 30 EEEDLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233102526 1304360628 /nfs/dbraw/zinc/36/06/28/1304360628.db2.gz DOCPOZCMQPECSO-OAHLLOKOSA-N 1 2 346.450 2.500 20 30 EEEDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233102526 1304360633 /nfs/dbraw/zinc/36/06/33/1304360633.db2.gz DOCPOZCMQPECSO-OAHLLOKOSA-N 1 2 346.450 2.500 20 30 EEEDLO CCOC(=O)c1nc2c(s1)C[N@H+](Cc1ccc(C#N)cc1O)CC2 ZINC001233387064 1304453538 /nfs/dbraw/zinc/45/35/38/1304453538.db2.gz SVEOVCHGUWKXNF-UHFFFAOYSA-N 1 2 343.408 2.455 20 30 EEEDLO CCOC(=O)c1nc2c(s1)C[N@@H+](Cc1ccc(C#N)cc1O)CC2 ZINC001233387064 1304453541 /nfs/dbraw/zinc/45/35/41/1304453541.db2.gz SVEOVCHGUWKXNF-UHFFFAOYSA-N 1 2 343.408 2.455 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnc(OC)nc1C ZINC001233761473 1304581119 /nfs/dbraw/zinc/58/11/19/1304581119.db2.gz KPLYIIDOWSZSQK-QGZVFWFLSA-N 1 2 344.459 2.020 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnc(OC)nc1C ZINC001233761473 1304581124 /nfs/dbraw/zinc/58/11/24/1304581124.db2.gz KPLYIIDOWSZSQK-QGZVFWFLSA-N 1 2 344.459 2.020 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C(C)C)C(C)C ZINC001233762627 1304582681 /nfs/dbraw/zinc/58/26/81/1304582681.db2.gz UCORKFBQLBGBGU-GOSISDBHSA-N 1 2 349.519 2.358 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C(C)C)C(C)C ZINC001233762627 1304582684 /nfs/dbraw/zinc/58/26/84/1304582684.db2.gz UCORKFBQLBGBGU-GOSISDBHSA-N 1 2 349.519 2.358 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CCCNc1cc[nH+]c(C)n1 ZINC001115097989 1304677449 /nfs/dbraw/zinc/67/74/49/1304677449.db2.gz VXOLPIKARQNYBN-KMFMINBZSA-N 1 2 332.448 2.463 20 30 EEEDLO C=CCOCCCC(=O)N1CCC(N(C)c2cc[nH+]c(C)n2)CC1 ZINC001115134342 1304725502 /nfs/dbraw/zinc/72/55/02/1304725502.db2.gz IXJXWJAFSOYJFJ-UHFFFAOYSA-N 1 2 332.448 2.195 20 30 EEEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(CO)ccc1F ZINC001234163141 1304776463 /nfs/dbraw/zinc/77/64/63/1304776463.db2.gz YFLRJTKLAYAUCH-QGZVFWFLSA-N 1 2 332.419 2.010 20 30 EEEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(CO)ccc1F ZINC001234163141 1304776469 /nfs/dbraw/zinc/77/64/69/1304776469.db2.gz YFLRJTKLAYAUCH-QGZVFWFLSA-N 1 2 332.419 2.010 20 30 EEEDLO COc1cc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)C#CC(C)(C)C)ccn1 ZINC001234194435 1304791402 /nfs/dbraw/zinc/79/14/02/1304791402.db2.gz CYCAOUSKYXJIIE-MRXNPFEDSA-N 1 2 329.444 2.172 20 30 EEEDLO COc1cc(C[N@H+]2CC[C@@H]2CN(C)C(=O)C#CC(C)(C)C)ccn1 ZINC001234194435 1304791410 /nfs/dbraw/zinc/79/14/10/1304791410.db2.gz CYCAOUSKYXJIIE-MRXNPFEDSA-N 1 2 329.444 2.172 20 30 EEEDLO C=C(C)COc1ccccc1CN1C[C@H]2C[C@H](C(=O)OCC)[NH2+][C@H]2C1 ZINC001235271465 1305172371 /nfs/dbraw/zinc/17/23/71/1305172371.db2.gz SAPKRVWGMQQXTF-KURKYZTESA-N 1 2 344.455 2.367 20 30 EEEDLO N#CCCN1CC[NH+](Cc2ccc(O)c(OC(F)(F)F)c2)CC1 ZINC001235671823 1305323971 /nfs/dbraw/zinc/32/39/71/1305323971.db2.gz ZYFUWSLUTYVOIL-UHFFFAOYSA-N 1 2 329.322 2.322 20 30 EEEDLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CC12CCN(c1cccc(C#N)c1)CC2 ZINC001278019911 1305702165 /nfs/dbraw/zinc/70/21/65/1305702165.db2.gz SUZIETFLHLZLBY-SFHVURJKSA-N 1 2 349.438 2.215 20 30 EEEDLO Cn1c[nH+]cc1CNC(=O)[C@H]1CC12CCN(c1ccccc1C#N)CC2 ZINC001278020743 1305703757 /nfs/dbraw/zinc/70/37/57/1305703757.db2.gz YIEJFVIUDPAWGS-QGZVFWFLSA-N 1 2 349.438 2.215 20 30 EEEDLO C#CC[NH+]1CCN(Cc2ccc(OC)c(OC)c2C(F)(F)F)CC1 ZINC001237768022 1306083054 /nfs/dbraw/zinc/08/30/54/1306083054.db2.gz LEIZEJDSLOABGX-UHFFFAOYSA-N 1 2 342.361 2.473 20 30 EEEDLO C[C@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)Nc1ncc(C#N)cc1F ZINC001120759888 1309732729 /nfs/dbraw/zinc/73/27/29/1309732729.db2.gz VCNPNMGWIMMIQG-OLZOCXBDSA-N 1 2 344.394 2.199 20 30 EEEDLO Cc1c[nH+]cc(C)c1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC001121139523 1309929192 /nfs/dbraw/zinc/92/91/92/1309929192.db2.gz JVPJURACQGFZQG-UHFFFAOYSA-N 1 2 348.410 2.223 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@H](CO)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001122379100 1310270802 /nfs/dbraw/zinc/27/08/02/1310270802.db2.gz QEMNQSBYYLDUDH-DZGCQCFKSA-N 1 2 346.475 2.155 20 30 EEEDLO C#CCN(CC)c1nnc([C@H]2CCCC[N@@H+]2C)n1CCCOCC ZINC001122575780 1310337874 /nfs/dbraw/zinc/33/78/74/1310337874.db2.gz NQIRQJUMLVZTRC-MRXNPFEDSA-N 1 2 333.480 2.321 20 30 EEEDLO C#CCN(CC)c1nnc([C@H]2CCCC[N@H+]2C)n1CCCOCC ZINC001122575780 1310337880 /nfs/dbraw/zinc/33/78/80/1310337880.db2.gz NQIRQJUMLVZTRC-MRXNPFEDSA-N 1 2 333.480 2.321 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C[C@H]1C ZINC001123291685 1310517213 /nfs/dbraw/zinc/51/72/13/1310517213.db2.gz YHGPWIFOAYYRKO-OCCSQVGLSA-N 1 2 332.452 2.004 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001123752265 1310692410 /nfs/dbraw/zinc/69/24/10/1310692410.db2.gz KQOVDNRNKKGENG-HZPDHXFCSA-N 1 2 332.448 2.465 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H](Nc2[nH+]cnc3c2cnn3C)C(C)(C)C1 ZINC001123972651 1310784030 /nfs/dbraw/zinc/78/40/30/1310784030.db2.gz QIXNZKHCSJVNSW-AWEZNQCLSA-N 1 2 342.447 2.369 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001125224451 1314443860 /nfs/dbraw/zinc/44/38/60/1314443860.db2.gz WPLVXKKCVRTLHQ-CXAGYDPISA-N 1 2 348.491 2.260 20 30 EEEDLO C#CC1CC[NH+](Cc2nc(N)nc(Nc3ccccc3OC)n2)CC1 ZINC000830333610 1314533157 /nfs/dbraw/zinc/53/31/57/1314533157.db2.gz DMRJCDKCSYYHPO-UHFFFAOYSA-N 1 2 338.415 2.051 20 30 EEEDLO C=CCOc1ccccc1C[N@@H+]1Cc2nnn(C)c2[C@H](COC)C1 ZINC001139029402 1314690716 /nfs/dbraw/zinc/69/07/16/1314690716.db2.gz XBKPJMVGSJTPPA-HNNXBMFYSA-N 1 2 328.416 2.126 20 30 EEEDLO C=CCOc1ccccc1C[N@H+]1Cc2nnn(C)c2[C@H](COC)C1 ZINC001139029402 1314690720 /nfs/dbraw/zinc/69/07/20/1314690720.db2.gz XBKPJMVGSJTPPA-HNNXBMFYSA-N 1 2 328.416 2.126 20 30 EEEDLO CCOC(=O)COc1ccccc1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001139131098 1314709192 /nfs/dbraw/zinc/70/91/92/1314709192.db2.gz ARMWVAVPOXXKQE-INIZCTEOSA-N 1 2 347.436 2.403 20 30 EEEDLO CCOC(=O)COc1ccccc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001139131098 1314709195 /nfs/dbraw/zinc/70/91/95/1314709195.db2.gz ARMWVAVPOXXKQE-INIZCTEOSA-N 1 2 347.436 2.403 20 30 EEEDLO COC(=O)CC[C@H]1COCC[N@@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139707595 1314762659 /nfs/dbraw/zinc/76/26/59/1314762659.db2.gz LCCGNMHKOXUYLH-HNNXBMFYSA-N 1 2 327.384 2.194 20 30 EEEDLO COC(=O)CC[C@H]1COCC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139707595 1314762660 /nfs/dbraw/zinc/76/26/60/1314762660.db2.gz LCCGNMHKOXUYLH-HNNXBMFYSA-N 1 2 327.384 2.194 20 30 EEEDLO C#CC[C@@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccccc1 ZINC000840331997 1315352414 /nfs/dbraw/zinc/35/24/14/1315352414.db2.gz HCCJEZSZDMZAIR-QGZVFWFLSA-N 1 2 329.444 2.161 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000842895646 1315794593 /nfs/dbraw/zinc/79/45/93/1315794593.db2.gz OCNHUXJAFJTSDN-HZPDHXFCSA-N 1 2 331.416 2.028 20 30 EEEDLO C#CCCCC(=O)NC[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)CCCO1 ZINC001149638628 1316003312 /nfs/dbraw/zinc/00/33/12/1316003312.db2.gz HNEKRLJSTXPDBM-MRXNPFEDSA-N 1 2 349.862 2.246 20 30 EEEDLO C#CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)CCCO1 ZINC001149638628 1316003316 /nfs/dbraw/zinc/00/33/16/1316003316.db2.gz HNEKRLJSTXPDBM-MRXNPFEDSA-N 1 2 349.862 2.246 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ncc(C)s2)CCCO1 ZINC001150085074 1316150106 /nfs/dbraw/zinc/15/01/06/1316150106.db2.gz JCVVSBVRRXCSBQ-CQSZACIVSA-N 1 2 337.489 2.371 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ncc(C)s2)CCCO1 ZINC001150085074 1316150110 /nfs/dbraw/zinc/15/01/10/1316150110.db2.gz JCVVSBVRRXCSBQ-CQSZACIVSA-N 1 2 337.489 2.371 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[N@H+](Cc2nocc2C)CCCO1 ZINC001150248167 1316214965 /nfs/dbraw/zinc/21/49/65/1316214965.db2.gz RXEZVVRUEKFGQX-YJBOKZPZSA-N 1 2 335.448 2.292 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[N@@H+](Cc2nocc2C)CCCO1 ZINC001150248167 1316214968 /nfs/dbraw/zinc/21/49/68/1316214968.db2.gz RXEZVVRUEKFGQX-YJBOKZPZSA-N 1 2 335.448 2.292 20 30 EEEDLO C#CCC1(C(=O)NCC[NH2+]Cc2nnc(C(C)C)o2)CCCCC1 ZINC001153008959 1316758415 /nfs/dbraw/zinc/75/84/15/1316758415.db2.gz CCINIAPONGAIPS-UHFFFAOYSA-N 1 2 332.448 2.373 20 30 EEEDLO C#CCC1(C(=O)NCC[NH2+][C@@H](C)c2nc(CC)no2)CCCCC1 ZINC001153024080 1316761228 /nfs/dbraw/zinc/76/12/28/1316761228.db2.gz KMNPXJUHEHAYNJ-AWEZNQCLSA-N 1 2 332.448 2.373 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC1(F)F ZINC001153186569 1316786598 /nfs/dbraw/zinc/78/65/98/1316786598.db2.gz BYYFKASZENANDU-ZJUUUORDSA-N 1 2 325.197 2.377 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC1(F)F ZINC001153186569 1316786599 /nfs/dbraw/zinc/78/65/99/1316786599.db2.gz BYYFKASZENANDU-ZJUUUORDSA-N 1 2 325.197 2.377 20 30 EEEDLO Cc1ccnc(N2CC[NH+](Cc3cnn4ccc(C#N)cc34)CC2)c1 ZINC001249107169 1317003289 /nfs/dbraw/zinc/00/32/89/1317003289.db2.gz SRCZYRCEPDKWFV-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO C=CCCCC(=O)NC[C@@H](C)[N@H+](CC)CC(=O)Nc1cc(C)on1 ZINC001154958108 1317402095 /nfs/dbraw/zinc/40/20/95/1317402095.db2.gz ZZUFUVLPBAZRFF-CYBMUJFWSA-N 1 2 336.436 2.104 20 30 EEEDLO C=CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)Nc1cc(C)on1 ZINC001154958108 1317402102 /nfs/dbraw/zinc/40/21/02/1317402102.db2.gz ZZUFUVLPBAZRFF-CYBMUJFWSA-N 1 2 336.436 2.104 20 30 EEEDLO Cc1ccc([C@H](C#N)c2ccc(NC[C@@H]3C[N@H+](C)CCO3)nn2)cc1 ZINC001155193654 1317495844 /nfs/dbraw/zinc/49/58/44/1317495844.db2.gz IPNSJWXPANWHPC-SJORKVTESA-N 1 2 337.427 2.183 20 30 EEEDLO Cc1ccc([C@H](C#N)c2ccc(NC[C@@H]3C[N@@H+](C)CCO3)nn2)cc1 ZINC001155193654 1317495847 /nfs/dbraw/zinc/49/58/47/1317495847.db2.gz IPNSJWXPANWHPC-SJORKVTESA-N 1 2 337.427 2.183 20 30 EEEDLO CC[C@@H](CC#N)[N@H+]1C[C@H]2c3ccccc3N(S(C)(=O)=O)C[C@@H]2C1 ZINC001255172876 1318310888 /nfs/dbraw/zinc/31/08/88/1318310888.db2.gz SNOPGOQUFIWNJK-OFQRWUPVSA-N 1 2 333.457 2.174 20 30 EEEDLO CC[C@@H](CC#N)[N@@H+]1C[C@H]2c3ccccc3N(S(C)(=O)=O)C[C@@H]2C1 ZINC001255172876 1318310894 /nfs/dbraw/zinc/31/08/94/1318310894.db2.gz SNOPGOQUFIWNJK-OFQRWUPVSA-N 1 2 333.457 2.174 20 30 EEEDLO C#CC[C@H]([NH2+]C1CCC(N(C)C(=O)OC(C)(C)C)CC1)C(=O)OC ZINC001256664988 1318822044 /nfs/dbraw/zinc/82/20/44/1318822044.db2.gz UYRXGOTTYRLCKN-NRXISQOPSA-N 1 2 338.448 2.319 20 30 EEEDLO C#CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](CC)C1)C(=O)OC ZINC001257117432 1318947378 /nfs/dbraw/zinc/94/73/78/1318947378.db2.gz NMPSLUQILGPPPV-ZNMIVQPWSA-N 1 2 338.448 2.319 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cnnn1C ZINC001157999997 1318966366 /nfs/dbraw/zinc/96/63/66/1318966366.db2.gz WLZOACBFCYQJQT-OAHLLOKOSA-N 1 2 333.480 2.230 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cnnn1C ZINC001157999997 1318966367 /nfs/dbraw/zinc/96/63/67/1318966367.db2.gz WLZOACBFCYQJQT-OAHLLOKOSA-N 1 2 333.480 2.230 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H](Nc2c(C#N)c(Cl)nc3cccc(C)c32)C[NH2+]1 ZINC001158260144 1319121283 /nfs/dbraw/zinc/12/12/83/1319121283.db2.gz VRNMWUUHZOPLDK-MFKMUULPSA-N 1 2 344.802 2.384 20 30 EEEDLO C=CCCOCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)o1 ZINC001158936243 1319518414 /nfs/dbraw/zinc/51/84/14/1319518414.db2.gz XOYJBMBEECLZFO-MRXNPFEDSA-N 1 2 335.448 2.389 20 30 EEEDLO C=CCCOCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)o1 ZINC001158936243 1319518422 /nfs/dbraw/zinc/51/84/22/1319518422.db2.gz XOYJBMBEECLZFO-MRXNPFEDSA-N 1 2 335.448 2.389 20 30 EEEDLO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1nc2[nH]cnc2cc1Cl ZINC001159925837 1320023976 /nfs/dbraw/zinc/02/39/76/1320023976.db2.gz WUPBBJRIXRMNPK-NSHDSACASA-N 1 2 337.811 2.250 20 30 EEEDLO C#CCCN1CCC[C@@H](Nc2[nH+]cc(C)cc2C(OC)OC)C1=O ZINC001160899655 1320309214 /nfs/dbraw/zinc/30/92/14/1320309214.db2.gz JYTFYQWJFGFYCR-OAHLLOKOSA-N 1 2 331.416 2.108 20 30 EEEDLO CC(C)(C)[C@@H](C[NH+]1CCOCC1)Nc1nc(C#N)ccc1[N+](=O)[O-] ZINC001162875447 1320978947 /nfs/dbraw/zinc/97/89/47/1320978947.db2.gz DEKQHZUGEFMUPJ-CQSZACIVSA-N 1 2 333.392 2.020 20 30 EEEDLO CC#CC[NH+]1CCN(Cc2ccc(CNC(=O)C(C)(C)F)cc2)CC1 ZINC001163013732 1321014064 /nfs/dbraw/zinc/01/40/64/1321014064.db2.gz VMLOORLFQXKBJJ-UHFFFAOYSA-N 1 2 345.462 2.192 20 30 EEEDLO N#C[C@H](c1ccc(N2CC[NH2+]CC(F)(F)C2)nn1)c1ccccc1F ZINC001164497993 1321397671 /nfs/dbraw/zinc/39/76/71/1321397671.db2.gz MZRRQNKDYUHKBD-ZDUSSCGKSA-N 1 2 347.344 2.316 20 30 EEEDLO C=C(C)Cn1c(C2CC=CC2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001263318757 1322459866 /nfs/dbraw/zinc/45/98/66/1322459866.db2.gz TZZXYRMMTPACOE-UHFFFAOYSA-N 1 2 331.464 2.056 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001206912606 1323695511 /nfs/dbraw/zinc/69/55/11/1323695511.db2.gz UOMYRVZKSHXROU-SJLPKXTDSA-N 1 2 341.455 2.174 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)cc2)C[C@H]1C ZINC001206912606 1323695512 /nfs/dbraw/zinc/69/55/12/1323695512.db2.gz UOMYRVZKSHXROU-SJLPKXTDSA-N 1 2 341.455 2.174 20 30 EEEDLO COC[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)Cc2nn(CC3CC3)cc21 ZINC001207103900 1323849159 /nfs/dbraw/zinc/84/91/59/1323849159.db2.gz BITVRNAMALIPTE-INIZCTEOSA-N 1 2 339.443 2.249 20 30 EEEDLO COC[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)Cc2nn(CC3CC3)cc21 ZINC001207103900 1323849167 /nfs/dbraw/zinc/84/91/67/1323849167.db2.gz BITVRNAMALIPTE-INIZCTEOSA-N 1 2 339.443 2.249 20 30 EEEDLO Cn1cc2c(n1)C[N@@H+](Cc1cc(C#N)n(C)c1)C[C@@H]2COCC1CC1 ZINC001207104062 1323849743 /nfs/dbraw/zinc/84/97/43/1323849743.db2.gz IXXFVUONUJINLU-MRXNPFEDSA-N 1 2 339.443 2.156 20 30 EEEDLO Cn1cc2c(n1)C[N@H+](Cc1cc(C#N)n(C)c1)C[C@@H]2COCC1CC1 ZINC001207104062 1323849751 /nfs/dbraw/zinc/84/97/51/1323849751.db2.gz IXXFVUONUJINLU-MRXNPFEDSA-N 1 2 339.443 2.156 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnc(OC)nc1C ZINC001316602559 1324143355 /nfs/dbraw/zinc/14/33/55/1324143355.db2.gz BEXXRNZFBLTPNH-DOTOQJQBSA-N 1 2 346.475 2.429 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnc(OC)nc1C ZINC001316602559 1324143362 /nfs/dbraw/zinc/14/33/62/1324143362.db2.gz BEXXRNZFBLTPNH-DOTOQJQBSA-N 1 2 346.475 2.429 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC(C)(C)C ZINC001316605170 1324372010 /nfs/dbraw/zinc/37/20/10/1324372010.db2.gz WQMIVCDMQNZILI-GJZGRUSLSA-N 1 2 337.508 2.425 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC(C)(C)C ZINC001316605170 1324372015 /nfs/dbraw/zinc/37/20/15/1324372015.db2.gz WQMIVCDMQNZILI-GJZGRUSLSA-N 1 2 337.508 2.425 20 30 EEEDLO Cc1ccccc1-c1cnc(C[N@@H+](C)CCNC(=O)[C@H](C)C#N)o1 ZINC001492216616 1331092984 /nfs/dbraw/zinc/09/29/84/1331092984.db2.gz DVXKPSYRNLXMII-CQSZACIVSA-N 1 2 326.400 2.358 20 30 EEEDLO Cc1ccccc1-c1cnc(C[N@H+](C)CCNC(=O)[C@H](C)C#N)o1 ZINC001492216616 1331092987 /nfs/dbraw/zinc/09/29/87/1331092987.db2.gz DVXKPSYRNLXMII-CQSZACIVSA-N 1 2 326.400 2.358 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(C)n2Cc2c(F)cccc2Cl)CC1 ZINC001329105810 1334586807 /nfs/dbraw/zinc/58/68/07/1334586807.db2.gz PMBJYNNRLHRDSQ-UHFFFAOYSA-N 1 2 347.825 2.183 20 30 EEEDLO C=CCn1c(-c2ccco2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001338769055 1336905815 /nfs/dbraw/zinc/90/58/15/1336905815.db2.gz KIBMWWVBTGQRHW-UHFFFAOYSA-N 1 2 336.399 2.446 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(CC)CC1CC1 ZINC001338850519 1336919849 /nfs/dbraw/zinc/91/98/49/1336919849.db2.gz CSOLSCSTOHXMOW-MRXNPFEDSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(CC)CC1CC1 ZINC001338850519 1336919851 /nfs/dbraw/zinc/91/98/51/1336919851.db2.gz CSOLSCSTOHXMOW-MRXNPFEDSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC=CCC1 ZINC001339476637 1337011407 /nfs/dbraw/zinc/01/14/07/1337011407.db2.gz ZILXHSBUNKGMJQ-CVEARBPZSA-N 1 2 329.448 2.156 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC=CCC1 ZINC001339476637 1337011411 /nfs/dbraw/zinc/01/14/11/1337011411.db2.gz ZILXHSBUNKGMJQ-CVEARBPZSA-N 1 2 329.448 2.156 20 30 EEEDLO Cn1c(CCCC#N)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001339912893 1337095297 /nfs/dbraw/zinc/09/52/97/1337095297.db2.gz DVRMUFDDACWPCL-UHFFFAOYSA-N 1 2 325.420 2.137 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)COc2ccc(F)cc2F)C1 ZINC001366966029 1374071928 /nfs/dbraw/zinc/07/19/28/1374071928.db2.gz AJDXIWUWQMVNSI-UHFFFAOYSA-N 1 2 330.762 2.144 20 30 EEEDLO C[C@@H]([NH2+]Cc1nc(-c2nn[nH]n2)cs1)c1ccc(OCC#N)cc1 ZINC001589973258 1349087911 /nfs/dbraw/zinc/08/79/11/1349087911.db2.gz XQRVXYFHULGHET-SNVBAGLBSA-N 1 2 341.400 2.076 20 30 EEEDLO COc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)n2)nn1 ZINC001658627072 1354363687 /nfs/dbraw/zinc/36/36/87/1354363687.db2.gz LYMYVMSNRDLCGB-NSHDSACASA-N 1 2 336.355 2.258 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC001665567172 1355326329 /nfs/dbraw/zinc/32/63/29/1355326329.db2.gz MKKPZXCYNZLZNO-JKSUJKDBSA-N 1 2 347.459 2.031 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC001665567172 1355326332 /nfs/dbraw/zinc/32/63/32/1355326332.db2.gz MKKPZXCYNZLZNO-JKSUJKDBSA-N 1 2 347.459 2.031 20 30 EEEDLO Cc1ccnc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)n1 ZINC001040203477 1367048862 /nfs/dbraw/zinc/04/88/62/1367048862.db2.gz ZBVNJZSIKWBUSJ-HXUWFJFHSA-N 1 2 338.455 2.013 20 30 EEEDLO Cc1ccnc(C[N@H+]2CCC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)n1 ZINC001040203477 1367048872 /nfs/dbraw/zinc/04/88/72/1367048872.db2.gz ZBVNJZSIKWBUSJ-HXUWFJFHSA-N 1 2 338.455 2.013 20 30 EEEDLO CCC1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@@H](CC#N)C1)C2=O ZINC000853525653 1369346758 /nfs/dbraw/zinc/34/67/58/1369346758.db2.gz HVTLRWIWXOETRR-CSLYMUCUSA-N 1 2 332.448 2.460 20 30 EEEDLO CCC1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@@H](CC#N)C1)C2=O ZINC000853525653 1369346762 /nfs/dbraw/zinc/34/67/62/1369346762.db2.gz HVTLRWIWXOETRR-CSLYMUCUSA-N 1 2 332.448 2.460 20 30 EEEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1=S ZINC000853571943 1369351541 /nfs/dbraw/zinc/35/15/41/1369351541.db2.gz OFYXNZOZUWQOAM-KBPBESRZSA-N 1 2 335.477 2.256 20 30 EEEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1=S ZINC000853571943 1369351549 /nfs/dbraw/zinc/35/15/49/1369351549.db2.gz OFYXNZOZUWQOAM-KBPBESRZSA-N 1 2 335.477 2.256 20 30 EEEDLO CCc1cc(N2CCCCC[C@H]2CNC(=O)[C@H](C)C#N)nc(C)[nH+]1 ZINC001114359646 1369583108 /nfs/dbraw/zinc/58/31/08/1369583108.db2.gz UGSWWGVUFUPVLB-CJNGLKHVSA-N 1 2 329.448 2.372 20 30 EEEDLO Cc1nc(N2CCC(NC(=O)C#CC(C)C)CC2)c2c([nH+]1)CCCC2 ZINC001095414094 1369769473 /nfs/dbraw/zinc/76/94/73/1369769473.db2.gz VJULBTRBCMADCR-UHFFFAOYSA-N 1 2 340.471 2.408 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001070952466 1370373020 /nfs/dbraw/zinc/37/30/20/1370373020.db2.gz VGYDISMGEZDZHL-OAHLLOKOSA-N 1 2 338.411 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C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCC(C#N)CC1 ZINC000057876258 789710060 /nfs/dbraw/zinc/71/00/60/789710060.db2.gz ZIZXEPPSPXQSPT-OAHLLOKOSA-N 1 2 342.443 2.086 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ocnc1C ZINC001032447671 789778387 /nfs/dbraw/zinc/77/83/87/789778387.db2.gz SPHDGSSVKRCNMD-GJZGRUSLSA-N 1 2 326.400 2.069 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ocnc1C ZINC001032447671 789778391 /nfs/dbraw/zinc/77/83/91/789778391.db2.gz SPHDGSSVKRCNMD-GJZGRUSLSA-N 1 2 326.400 2.069 20 30 EEEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cnc(OC)c(F)c3)C2)CC1 ZINC001144451151 789819588 /nfs/dbraw/zinc/81/95/88/789819588.db2.gz NHQMQCJOVBBXKN-UHFFFAOYSA-N 1 2 349.406 2.450 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CCc3c([nH+]c(C)n3CCO)C2)CCCCC1 ZINC000846121085 790057714 /nfs/dbraw/zinc/05/77/14/790057714.db2.gz HIQQGVRVXMTVJZ-INIZCTEOSA-N 1 2 343.471 2.131 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001060330755 790136607 /nfs/dbraw/zinc/13/66/07/790136607.db2.gz HIPDERARJDUQKM-HNAYVOBHSA-N 1 2 346.475 2.299 20 30 EEEDLO C=CCCC1(C(=O)N2CC[C@H](CCNC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001060330895 790142567 /nfs/dbraw/zinc/14/25/67/790142567.db2.gz IZHZLTGWNDAXOF-HNNXBMFYSA-N 1 2 344.459 2.053 20 30 EEEDLO CC#CCCCC(=O)NC1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCC1 ZINC001063072591 790191451 /nfs/dbraw/zinc/19/14/51/790191451.db2.gz ZQQADBAUPVVCOV-INIZCTEOSA-N 1 2 344.459 2.183 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106066980 791279950 /nfs/dbraw/zinc/27/99/50/791279950.db2.gz NYTNNWUVEMOSQI-HIFRSBDPSA-N 1 2 334.464 2.400 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106080739 791831780 /nfs/dbraw/zinc/83/17/80/791831780.db2.gz SCWVXNHAXWRBHC-KSSFIOAISA-N 1 2 332.448 2.154 20 30 EEEDLO CCc1ccc(N2CC[NH+](CC(=O)N(CC)C[C@H](C)C#N)CC2)cc1 ZINC000173852507 791912852 /nfs/dbraw/zinc/91/28/52/791912852.db2.gz ULLNYKQJGJEENH-QGZVFWFLSA-N 1 2 342.487 2.379 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1nnc(CC)n1C)C2 ZINC001148131888 792180001 /nfs/dbraw/zinc/18/00/01/792180001.db2.gz WNMYMZBTQOCZIN-HNNXBMFYSA-N 1 2 345.491 2.014 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(CC)n1C)C2 ZINC001148131888 792180006 /nfs/dbraw/zinc/18/00/06/792180006.db2.gz WNMYMZBTQOCZIN-HNNXBMFYSA-N 1 2 345.491 2.014 20 30 EEEDLO Cc1cc(C)c(C(=O)NC2CN(CC#Cc3ccccc3)C2)c(C)[nH+]1 ZINC001030709903 792196634 /nfs/dbraw/zinc/19/66/34/792196634.db2.gz LQKNRUSOPCURIU-UHFFFAOYSA-N 1 2 333.435 2.473 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H](N(CCO)c2nc(C)[nH+]c(C)c2C)C1 ZINC001091835696 793303648 /nfs/dbraw/zinc/30/36/48/793303648.db2.gz APVLJXAGOKYLJG-QGZVFWFLSA-N 1 2 346.475 2.158 20 30 EEEDLO N#Cc1cnc(NC2(CNC(=O)CCc3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC001110124102 793333671 /nfs/dbraw/zinc/33/36/71/793333671.db2.gz BBVXUQMVQRSJTA-UHFFFAOYSA-N 1 2 344.806 2.023 20 30 EEEDLO C[C@H](CC(=O)NCC1CC(Nc2ccc(C#N)cn2)C1)n1cc[nH+]c1 ZINC001092268130 793735455 /nfs/dbraw/zinc/73/54/55/793735455.db2.gz JEJFAKUPFRFPQN-IUDNXUCKSA-N 1 2 338.415 2.108 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](Nc2ccc(C#N)nc2)C[C@@H]1C ZINC001064789274 793764228 /nfs/dbraw/zinc/76/42/28/793764228.db2.gz USTDHTZOHLGYDM-GXTWGEPZSA-N 1 2 338.415 2.019 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)n1 ZINC001064792688 793771106 /nfs/dbraw/zinc/77/11/06/793771106.db2.gz PKRYNNAQVFAROF-ZFWWWQNUSA-N 1 2 338.415 2.019 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CN(c3cc[nH+]c(C)n3)C[C@@]2(C)C1 ZINC001092281801 793798016 /nfs/dbraw/zinc/79/80/16/793798016.db2.gz OHHBRBWUALFXNX-GMBSWORKSA-N 1 2 344.459 2.051 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(Cl)o1)c1nccn12 ZINC001092344714 793814857 /nfs/dbraw/zinc/81/48/57/793814857.db2.gz SLWIXWGVTQAKIF-LLVKDONJSA-N 1 2 332.791 2.201 20 30 EEEDLO CC(C)c1noc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC000999117161 793829792 /nfs/dbraw/zinc/82/97/92/793829792.db2.gz LEPGVSYJVWCXTJ-DZGCQCFKSA-N 1 2 330.432 2.248 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C)CCCC1)c1nccn12 ZINC001092385576 793880495 /nfs/dbraw/zinc/88/04/95/793880495.db2.gz VRJQDNRFKKXGBU-OAHLLOKOSA-N 1 2 326.444 2.059 20 30 EEEDLO C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1C#N)n1cc[nH+]c1 ZINC001032656826 793958041 /nfs/dbraw/zinc/95/80/41/793958041.db2.gz NTFRAWHCMWOELA-MNEFBYGVSA-N 1 2 349.438 2.191 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC3CCC1CC3)c1nccn12 ZINC001092412397 793962731 /nfs/dbraw/zinc/96/27/31/793962731.db2.gz DPLPVUPEOUARMZ-BHUNQDJPSA-N 1 2 340.471 2.467 20 30 EEEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)CC(CC)CC)CC2 ZINC001128060101 794119833 /nfs/dbraw/zinc/11/98/33/794119833.db2.gz VBPPBOHXRGNKJB-INIZCTEOSA-N 1 2 345.491 2.038 20 30 EEEDLO C=CCOCCCC(=O)N[C@]12CCC[C@H]1CN(c1cc[nH+]c(C)n1)C2 ZINC001093073415 794582682 /nfs/dbraw/zinc/58/26/82/794582682.db2.gz CMCOZHFWUVGGCW-LPHOPBHVSA-N 1 2 344.459 2.243 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(=O)NCCC)C2 ZINC001109998363 806354175 /nfs/dbraw/zinc/35/41/75/806354175.db2.gz VPJMJLARZQTGJC-ILXRZTDVSA-N 1 2 341.883 2.157 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(=O)NCCC)C2 ZINC001109998363 806354184 /nfs/dbraw/zinc/35/41/84/806354184.db2.gz VPJMJLARZQTGJC-ILXRZTDVSA-N 1 2 341.883 2.157 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001079471433 794807858 /nfs/dbraw/zinc/80/78/58/794807858.db2.gz BDWRFEZYMARPNR-BDJLRTHQSA-N 1 2 342.374 2.244 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001079471433 794807862 /nfs/dbraw/zinc/80/78/62/794807862.db2.gz BDWRFEZYMARPNR-BDJLRTHQSA-N 1 2 342.374 2.244 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC(N(CC)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001079792957 795202099 /nfs/dbraw/zinc/20/20/99/795202099.db2.gz MFYKVEMENSIXAN-KXBFYZLASA-N 1 2 346.475 2.496 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC(N(CC)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001079792980 795202275 /nfs/dbraw/zinc/20/22/75/795202275.db2.gz NBLCEZJMDZOIPY-HNNXBMFYSA-N 1 2 346.475 2.496 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC[NH2+]Cc1noc(-c2ccoc2)n1 ZINC001128088377 795265834 /nfs/dbraw/zinc/26/58/34/795265834.db2.gz VNHLVHLAKYWKLS-UHFFFAOYSA-N 1 2 330.388 2.304 20 30 EEEDLO C[C@H](CCNc1ncc(C#N)cc1Cl)NC(=O)CCc1[nH]cc[nH+]1 ZINC001106309658 795383678 /nfs/dbraw/zinc/38/36/78/795383678.db2.gz IRPOGHNSCPAYOK-LLVKDONJSA-N 1 2 346.822 2.269 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn3c(n2)C[C@H](C)CC3)C1 ZINC001079955491 795401212 /nfs/dbraw/zinc/40/12/12/795401212.db2.gz QXVMGWOLGGLWLK-YRGRVCCFSA-N 1 2 336.867 2.268 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn3c(n2)C[C@H](C)CC3)C1 ZINC001079955491 795401217 /nfs/dbraw/zinc/40/12/17/795401217.db2.gz QXVMGWOLGGLWLK-YRGRVCCFSA-N 1 2 336.867 2.268 20 30 EEEDLO Cc1csc(C[N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)n1 ZINC000993171320 795601034 /nfs/dbraw/zinc/60/10/34/795601034.db2.gz ORJJDGJPUHCJGC-OCCSQVGLSA-N 1 2 343.456 2.434 20 30 EEEDLO Cc1csc(C[N@@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)n1 ZINC000993171320 795601042 /nfs/dbraw/zinc/60/10/42/795601042.db2.gz ORJJDGJPUHCJGC-OCCSQVGLSA-N 1 2 343.456 2.434 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)CCNc1[nH+]cnc2c1cnn2C ZINC001106519216 795761881 /nfs/dbraw/zinc/76/18/81/795761881.db2.gz JHWGYORSLRKXDP-GFCCVEGCSA-N 1 2 330.436 2.272 20 30 EEEDLO Cc1nsc(N[C@H](C)CCNC(=O)CCCn2cc[nH+]c2)c1C#N ZINC001099242681 796036807 /nfs/dbraw/zinc/03/68/07/796036807.db2.gz XHFSSEWDIWFZSK-GFCCVEGCSA-N 1 2 346.460 2.307 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cccc(CC)c2)[C@@H](O)C1 ZINC001090367646 796060881 /nfs/dbraw/zinc/06/08/81/796060881.db2.gz HUBSAMNDTSOEBW-SJORKVTESA-N 1 2 336.863 2.095 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(CC)c2)[C@@H](O)C1 ZINC001090367646 796060886 /nfs/dbraw/zinc/06/08/86/796060886.db2.gz HUBSAMNDTSOEBW-SJORKVTESA-N 1 2 336.863 2.095 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ccc(Cl)cc3C)nn2)C1 ZINC001094315417 796082044 /nfs/dbraw/zinc/08/20/44/796082044.db2.gz MFYQNXQULVKCNT-UHFFFAOYSA-N 1 2 345.834 2.213 20 30 EEEDLO C=C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnn(C)c1)c1ccccc1 ZINC001032797815 796276977 /nfs/dbraw/zinc/27/69/77/796276977.db2.gz ZNXKCERZNVOTSI-GBESFXJTSA-N 1 2 336.439 2.175 20 30 EEEDLO C=C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnn(C)c1)c1ccccc1 ZINC001032797815 796276981 /nfs/dbraw/zinc/27/69/81/796276981.db2.gz ZNXKCERZNVOTSI-GBESFXJTSA-N 1 2 336.439 2.175 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ncc[nH]2)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000993313826 796331008 /nfs/dbraw/zinc/33/10/08/796331008.db2.gz OISBYMUKLVYJNM-WBMJQRKESA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ncc[nH]2)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000993313826 796331011 /nfs/dbraw/zinc/33/10/11/796331011.db2.gz OISBYMUKLVYJNM-WBMJQRKESA-N 1 2 341.390 2.203 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cncc3[nH]cnc32)[C@H]1C ZINC000993333724 796410811 /nfs/dbraw/zinc/41/08/11/796410811.db2.gz 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/nfs/dbraw/zinc/01/17/03/1092011703.db2.gz IJTQMAFDZGOZLE-LLVKDONJSA-N 1 2 340.855 2.110 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCCn1nc(C)cc1C ZINC001440976960 1094237166 /nfs/dbraw/zinc/23/71/66/1094237166.db2.gz NVDGYTCILQMARJ-OAHLLOKOSA-N 1 2 326.872 2.469 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCCn1nc(C)cc1C ZINC001440976960 1094237171 /nfs/dbraw/zinc/23/71/71/1094237171.db2.gz NVDGYTCILQMARJ-OAHLLOKOSA-N 1 2 326.872 2.469 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+](CCNC(=O)[C@@H]2CCCOC2)C2CC2)c1 ZINC001442993601 1097412718 /nfs/dbraw/zinc/41/27/18/1097412718.db2.gz JWUSXRSVDUZIRA-OAHLLOKOSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+](CCNC(=O)[C@@H]2CCCOC2)C2CC2)c1 ZINC001442993601 1097412726 /nfs/dbraw/zinc/41/27/26/1097412726.db2.gz JWUSXRSVDUZIRA-OAHLLOKOSA-N 1 2 345.418 2.205 20 30 EEEDLO CCc1nc(C(=O)N(C)CC[N@H+](C)Cc2cc(C#N)ccc2F)co1 ZINC001444973958 1100097253 /nfs/dbraw/zinc/09/72/53/1100097253.db2.gz PRJFVERVRWBCQR-UHFFFAOYSA-N 1 2 344.390 2.452 20 30 EEEDLO CCc1nc(C(=O)N(C)CC[N@@H+](C)Cc2cc(C#N)ccc2F)co1 ZINC001444973958 1100097263 /nfs/dbraw/zinc/09/72/63/1100097263.db2.gz PRJFVERVRWBCQR-UHFFFAOYSA-N 1 2 344.390 2.452 20 30 EEEDLO COCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(F)c(C#N)c2)CC1 ZINC001479227623 1110663133 /nfs/dbraw/zinc/66/31/33/1110663133.db2.gz KAWXPWQCINIDOG-INIZCTEOSA-N 1 2 345.418 2.157 20 30 EEEDLO COCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(F)c(C#N)c2)CC1 ZINC001479227623 1110663134 /nfs/dbraw/zinc/66/31/34/1110663134.db2.gz KAWXPWQCINIDOG-INIZCTEOSA-N 1 2 345.418 2.157 20 30 EEEDLO C=CCN(CC=C)c1nnc([C@@H]2CCC[N@H+]2C)n1C[C@@H]1CCOC1 ZINC001519747900 1119103181 /nfs/dbraw/zinc/10/31/81/1119103181.db2.gz AFOFBKAFAFONMK-HOTGVXAUSA-N 1 2 331.464 2.260 20 30 EEEDLO C=CCN(CC=C)c1nnc([C@@H]2CCC[N@@H+]2C)n1C[C@@H]1CCOC1 ZINC001519747900 1119103182 /nfs/dbraw/zinc/10/31/82/1119103182.db2.gz AFOFBKAFAFONMK-HOTGVXAUSA-N 1 2 331.464 2.260 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc3occc(=O)c3c2)C1 ZINC001520343812 1119148488 /nfs/dbraw/zinc/14/84/88/1119148488.db2.gz MOEPKUJDKJAVBJ-AWEZNQCLSA-N 1 2 325.368 2.012 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc3occc(=O)c3c2)C1 ZINC001520343812 1119148493 /nfs/dbraw/zinc/14/84/93/1119148493.db2.gz MOEPKUJDKJAVBJ-AWEZNQCLSA-N 1 2 325.368 2.012 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001520596495 1119179479 /nfs/dbraw/zinc/17/94/79/1119179479.db2.gz PALCKHHERBGYHF-HNNXBMFYSA-N 1 2 344.463 2.040 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1CC(C)C ZINC001524837633 1120232132 /nfs/dbraw/zinc/23/21/32/1120232132.db2.gz NHTYECHGODJUSX-JKSUJKDBSA-N 1 2 333.480 2.174 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1CC(C)C ZINC001524837633 1120232135 /nfs/dbraw/zinc/23/21/35/1120232135.db2.gz NHTYECHGODJUSX-JKSUJKDBSA-N 1 2 333.480 2.174 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)Nc3ncc4c(c3C#N)COCC4)ccn12 ZINC001529423605 1121437596 /nfs/dbraw/zinc/43/75/96/1121437596.db2.gz XQHXVJCUWCDTGP-UHFFFAOYSA-N 1 2 333.351 2.234 20 30 EEEDLO Fc1cnc(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)nc1 ZINC000273701077 283034073 /nfs/dbraw/zinc/03/40/73/283034073.db2.gz MTNVOEYWTAWODN-UHFFFAOYSA-N 1 2 330.794 2.443 20 30 EEEDLO Cc1noc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)n1 ZINC000054678794 201131834 /nfs/dbraw/zinc/13/18/34/201131834.db2.gz NEUPTQRFDNZINR-LBPRGKRZSA-N 1 2 339.399 2.456 20 30 EEEDLO C=CC[C@H](C)NC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000265322230 201215537 /nfs/dbraw/zinc/21/55/37/201215537.db2.gz NWXVRVCIZFLGPT-LSDHHAIUSA-N 1 2 345.443 2.099 20 30 EEEDLO C=CCN(Cc1c[nH+]c2ccc(Cl)cn12)[C@@H]1CCS(=O)(=O)C1 ZINC000271121018 201242063 /nfs/dbraw/zinc/24/20/63/201242063.db2.gz HIZRAIWLWVKQQO-CYBMUJFWSA-N 1 2 339.848 2.163 20 30 EEEDLO C=C(C)[C@H](CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)OCC ZINC000270175977 201237883 /nfs/dbraw/zinc/23/78/83/201237883.db2.gz MBASRKSECGVTPB-SFHVURJKSA-N 1 2 332.444 2.408 20 30 EEEDLO Cc1cc(C)c(C#N)c(N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)n1 ZINC000418939340 239378068 /nfs/dbraw/zinc/37/80/68/239378068.db2.gz FTXUYHNMBQCBLD-LJQANCHMSA-N 1 2 344.459 2.470 20 30 EEEDLO N#Cc1cnc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000447685066 242303092 /nfs/dbraw/zinc/30/30/92/242303092.db2.gz HOKBFQPTHVHVFH-CYBMUJFWSA-N 1 2 328.759 2.295 20 30 EEEDLO C=CCN(CC=C)C(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000459804928 245251196 /nfs/dbraw/zinc/25/11/96/245251196.db2.gz DPEDOCZHYWZCCW-UHFFFAOYSA-N 1 2 344.459 2.103 20 30 EEEDLO Cn1ncc2c1nc[nH+]c2NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000121626515 204815659 /nfs/dbraw/zinc/81/56/59/204815659.db2.gz CWTACQKMYQYTJD-UHFFFAOYSA-N 1 2 349.398 2.432 20 30 EEEDLO Cc1cc(Cl)ccc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000157557181 205214325 /nfs/dbraw/zinc/21/43/25/205214325.db2.gz APSFBRZYADMZAH-UHFFFAOYSA-N 1 2 335.835 2.337 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc(F)cc(OC)c2)n1 ZINC000491666239 246101878 /nfs/dbraw/zinc/10/18/78/246101878.db2.gz TXXULXMCOVSVGJ-UHFFFAOYSA-N 1 2 331.391 2.313 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc(F)cc(OC)c2)n1 ZINC000491666239 246101882 /nfs/dbraw/zinc/10/18/82/246101882.db2.gz TXXULXMCOVSVGJ-UHFFFAOYSA-N 1 2 331.391 2.313 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2c(C)cc(OC)nc2C)n1 ZINC000491741826 246134227 /nfs/dbraw/zinc/13/42/27/246134227.db2.gz ZQDLYYUTBKGRDE-UHFFFAOYSA-N 1 2 342.443 2.185 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2c(C)cc(OC)nc2C)n1 ZINC000491741826 246134230 /nfs/dbraw/zinc/13/42/30/246134230.db2.gz ZQDLYYUTBKGRDE-UHFFFAOYSA-N 1 2 342.443 2.185 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(OC)c(C)c2)n1 ZINC000491767394 246143248 /nfs/dbraw/zinc/14/32/48/246143248.db2.gz IOUYLMFABQCPAY-UHFFFAOYSA-N 1 2 327.428 2.482 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(OC)c(C)c2)n1 ZINC000491767394 246143253 /nfs/dbraw/zinc/14/32/53/246143253.db2.gz IOUYLMFABQCPAY-UHFFFAOYSA-N 1 2 327.428 2.482 20 30 EEEDLO Cc1noc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000249710067 206364316 /nfs/dbraw/zinc/36/43/16/206364316.db2.gz UMCDXDBQTUXTMR-DOMZBBRYSA-N 1 2 339.399 2.456 20 30 EEEDLO Cc1noc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000249710067 206364321 /nfs/dbraw/zinc/36/43/21/206364321.db2.gz UMCDXDBQTUXTMR-DOMZBBRYSA-N 1 2 339.399 2.456 20 30 EEEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000268052383 256108407 /nfs/dbraw/zinc/10/84/07/256108407.db2.gz UHCQAEWWBBZRRL-AWEZNQCLSA-N 1 2 346.862 2.345 20 30 EEEDLO C#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1ccc(Cl)cc1 ZINC000491718181 533263104 /nfs/dbraw/zinc/26/31/04/533263104.db2.gz TZVGNNFOAOFSPE-CQSZACIVSA-N 1 2 337.770 2.420 20 30 EEEDLO CC(C)(C)OC(=O)N1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000123702699 292282943 /nfs/dbraw/zinc/28/29/43/292282943.db2.gz FLYIOADKXXZBIY-UHFFFAOYSA-N 1 2 341.415 2.259 20 30 EEEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc(C)c1C#N ZINC000126621990 292313684 /nfs/dbraw/zinc/31/36/84/292313684.db2.gz ZFYKAZKGYKETGW-UHFFFAOYSA-N 1 2 331.397 2.103 20 30 EEEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000248970000 160369767 /nfs/dbraw/zinc/36/97/67/160369767.db2.gz CKSJWEIJUWBVIU-BXUZGUMPSA-N 1 2 349.818 2.281 20 30 EEEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000248970000 160369768 /nfs/dbraw/zinc/36/97/68/160369768.db2.gz CKSJWEIJUWBVIU-BXUZGUMPSA-N 1 2 349.818 2.281 20 30 EEEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000102936680 159269383 /nfs/dbraw/zinc/26/93/83/159269383.db2.gz JGFCJCGOYSRMJM-GOSISDBHSA-N 1 2 344.374 2.194 20 30 EEEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000102936680 159269385 /nfs/dbraw/zinc/26/93/85/159269385.db2.gz JGFCJCGOYSRMJM-GOSISDBHSA-N 1 2 344.374 2.194 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(OC(F)F)c1 ZINC000346672413 161390633 /nfs/dbraw/zinc/39/06/33/161390633.db2.gz ULEVJKZTYHCCOV-CORIIIEPSA-N 1 2 335.354 2.245 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(OC(F)F)c1 ZINC000346672413 161390634 /nfs/dbraw/zinc/39/06/34/161390634.db2.gz ULEVJKZTYHCCOV-CORIIIEPSA-N 1 2 335.354 2.245 20 30 EEEDLO COC(=O)[C@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]1C ZINC000355382034 163169600 /nfs/dbraw/zinc/16/96/00/163169600.db2.gz ZSFYDAPOILNZEO-WFASDCNBSA-N 1 2 340.383 2.239 20 30 EEEDLO COC(=O)[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]1C ZINC000355382034 163169602 /nfs/dbraw/zinc/16/96/02/163169602.db2.gz ZSFYDAPOILNZEO-WFASDCNBSA-N 1 2 340.383 2.239 20 30 EEEDLO N#Cc1csc(C[N@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)n1 ZINC000356286787 163392838 /nfs/dbraw/zinc/39/28/38/163392838.db2.gz XFSPDYJLWLIPTC-GFCCVEGCSA-N 1 2 330.413 2.250 20 30 EEEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)n1 ZINC000356286787 163392841 /nfs/dbraw/zinc/39/28/41/163392841.db2.gz XFSPDYJLWLIPTC-GFCCVEGCSA-N 1 2 330.413 2.250 20 30 EEEDLO C[C@H](C(=O)N1CC[NH+](Cc2cccnc2)CC1)c1cccc(C#N)c1 ZINC000359920425 164196550 /nfs/dbraw/zinc/19/65/50/164196550.db2.gz ZOSUQCOPPOAOSB-INIZCTEOSA-N 1 2 334.423 2.401 20 30 EEEDLO N#Cc1cccc(CCNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)c1 ZINC000359948163 164202400 /nfs/dbraw/zinc/20/24/00/164202400.db2.gz YGJPMLJAVRQOFI-KRWDZBQOSA-N 1 2 337.427 2.354 20 30 EEEDLO N#Cc1cccc(CCNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)c1 ZINC000359948163 164202403 /nfs/dbraw/zinc/20/24/03/164202403.db2.gz YGJPMLJAVRQOFI-KRWDZBQOSA-N 1 2 337.427 2.354 20 30 EEEDLO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000295721890 266254817 /nfs/dbraw/zinc/25/48/17/266254817.db2.gz VJKKUJDYZSUCTM-SHACYNPGSA-N 1 2 348.468 2.395 20 30 EEEDLO C[C@@H](c1nncn1C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000287730784 267004862 /nfs/dbraw/zinc/00/48/62/267004862.db2.gz KOSUSAPYJBYKTC-ZDUSSCGKSA-N 1 2 338.415 2.098 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000374311232 267254754 /nfs/dbraw/zinc/25/47/54/267254754.db2.gz OBSFPTINRMNQFG-HXUWFJFHSA-N 1 2 334.423 2.456 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000374311232 267254757 /nfs/dbraw/zinc/25/47/57/267254757.db2.gz OBSFPTINRMNQFG-HXUWFJFHSA-N 1 2 334.423 2.456 20 30 EEEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000451933954 267257997 /nfs/dbraw/zinc/25/79/97/267257997.db2.gz VBFWGFDYOZPVSL-SNVBAGLBSA-N 1 2 338.820 2.468 20 30 EEEDLO Cc1cc(N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2ccnn2C)c(C#N)cn1 ZINC000425253679 268005031 /nfs/dbraw/zinc/00/50/31/268005031.db2.gz KBLFFLTYMRUDKG-RDJZCZTQSA-N 1 2 342.422 2.044 20 30 EEEDLO Cc1cc(N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2ccnn2C)c(C#N)cn1 ZINC000425253679 268005033 /nfs/dbraw/zinc/00/50/33/268005033.db2.gz KBLFFLTYMRUDKG-RDJZCZTQSA-N 1 2 342.422 2.044 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3cc(C)ncc3C#N)CC2)no1 ZINC000425250816 268076123 /nfs/dbraw/zinc/07/61/23/268076123.db2.gz DMPGIMJEYDDNSB-MRXNPFEDSA-N 1 2 340.431 2.444 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3cc(C)ncc3C#N)CC2)no1 ZINC000425250816 268076124 /nfs/dbraw/zinc/07/61/24/268076124.db2.gz DMPGIMJEYDDNSB-MRXNPFEDSA-N 1 2 340.431 2.444 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000435438073 268257870 /nfs/dbraw/zinc/25/78/70/268257870.db2.gz MYPIBAMZWZLLSX-UHFFFAOYSA-N 1 2 344.421 2.284 20 30 EEEDLO N#Cc1cccc([N+](=O)[O-])c1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000425201880 268294179 /nfs/dbraw/zinc/29/41/79/268294179.db2.gz BRZSRVYMFTYVPD-UHFFFAOYSA-N 1 2 339.355 2.310 20 30 EEEDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H](C2CC2)O1 ZINC000279306306 269269204 /nfs/dbraw/zinc/26/92/04/269269204.db2.gz MRSVQQYHPDGYGR-FSPWUOQZSA-N 1 2 325.412 2.163 20 30 EEEDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H](C2CC2)O1 ZINC000279306306 269269206 /nfs/dbraw/zinc/26/92/06/269269206.db2.gz MRSVQQYHPDGYGR-FSPWUOQZSA-N 1 2 325.412 2.163 20 30 EEEDLO C#CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)OC ZINC000497070999 277697194 /nfs/dbraw/zinc/69/71/94/277697194.db2.gz IJRUMTRAZRZJKG-ZNMIVQPWSA-N 1 2 338.448 2.319 20 30 EEEDLO C#C[C@@H](CCC)NC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000490740499 277701894 /nfs/dbraw/zinc/70/18/94/277701894.db2.gz PBYQPEFPLQLZSM-HDMKZQKVSA-N 1 2 344.459 2.028 20 30 EEEDLO Cn1c[nH+]cc1CCNC(=O)CCCCOc1cccc(C#N)c1 ZINC000158954607 311334646 /nfs/dbraw/zinc/33/46/46/311334646.db2.gz KIVDSDLIVPPCNL-UHFFFAOYSA-N 1 2 326.400 2.200 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548320104 318375014 /nfs/dbraw/zinc/37/50/14/318375014.db2.gz IYXHGMPHUBKXRT-ZDUSSCGKSA-N 1 2 325.372 2.290 20 30 EEEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000567095645 319347598 /nfs/dbraw/zinc/34/75/98/319347598.db2.gz NGDQYIGSRADSGS-WBVHZDCISA-N 1 2 335.411 2.446 20 30 EEEDLO N#Cc1ccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Cl ZINC000581292941 324222188 /nfs/dbraw/zinc/22/21/88/324222188.db2.gz FCDYCIAOCUWAJJ-OKILXGFUSA-N 1 2 334.807 2.196 20 30 EEEDLO N#Cc1ccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Cl ZINC000581292941 324222190 /nfs/dbraw/zinc/22/21/90/324222190.db2.gz FCDYCIAOCUWAJJ-OKILXGFUSA-N 1 2 334.807 2.196 20 30 EEEDLO CNc1nc(N2CCN(c3cnccc3C#N)CC2)[nH+]c2ccccc21 ZINC000518691136 448699958 /nfs/dbraw/zinc/69/99/58/448699958.db2.gz MWXNKDBRJITTCN-UHFFFAOYSA-N 1 2 345.410 2.265 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280335808 464197752 /nfs/dbraw/zinc/19/77/52/464197752.db2.gz BLOYUJWNKBMPJB-OAHLLOKOSA-N 1 2 329.444 2.280 20 30 EEEDLO CN(C)C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000351096751 465069446 /nfs/dbraw/zinc/06/94/46/465069446.db2.gz HQGLZAJHYWHNQZ-UHFFFAOYSA-N 1 2 339.237 2.024 20 30 EEEDLO CN(C)C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000351096751 465069454 /nfs/dbraw/zinc/06/94/54/465069454.db2.gz HQGLZAJHYWHNQZ-UHFFFAOYSA-N 1 2 339.237 2.024 20 30 EEEDLO CC(C)(C(=O)N[C@H]1CCOC2(CCSCC2)C1)[NH+]1CCOCC1 ZINC000328677010 465097167 /nfs/dbraw/zinc/09/71/67/465097167.db2.gz LUAHOWKFKVFKAT-AWEZNQCLSA-N 1 2 342.505 2.499 20 30 EEEDLO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328706258 465106019 /nfs/dbraw/zinc/10/60/19/465106019.db2.gz YZRSBXRTGLKEGK-ZNMIVQPWSA-N 1 2 330.432 2.461 20 30 EEEDLO Cn1nccc1COCC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000328798501 465131631 /nfs/dbraw/zinc/13/16/31/465131631.db2.gz GFDPTWYQUIIZNN-ZDUSSCGKSA-N 1 2 345.447 2.402 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000339243463 465161500 /nfs/dbraw/zinc/16/15/00/465161500.db2.gz GOMSWFICPJMZSN-QGZVFWFLSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000339243463 465161507 /nfs/dbraw/zinc/16/15/07/465161507.db2.gz GOMSWFICPJMZSN-QGZVFWFLSA-N 1 2 346.475 2.442 20 30 EEEDLO CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)c[nH+]1 ZINC000328937114 465173705 /nfs/dbraw/zinc/17/37/05/465173705.db2.gz GDIMQRORTKFLIH-HUUCEWRRSA-N 1 2 345.447 2.393 20 30 EEEDLO C[C@H]1OCC[C@@H]1C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000329116507 465238573 /nfs/dbraw/zinc/23/85/73/465238573.db2.gz NKMAQYVWKRRUQO-YPMHNXCESA-N 1 2 330.388 2.413 20 30 EEEDLO O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)C1([NH+]2CCOCC2)CCC1 ZINC000329276662 465286832 /nfs/dbraw/zinc/28/68/32/465286832.db2.gz CCUJZLDQRCIDMN-HNNXBMFYSA-N 1 2 331.416 2.376 20 30 EEEDLO O=C(NCc1ccc2c(c1)OCCO2)C1([NH+]2CCOCC2)CCC1 ZINC000329312966 465295625 /nfs/dbraw/zinc/29/56/25/465295625.db2.gz RLVZKZPNYDMVKH-UHFFFAOYSA-N 1 2 332.400 2.169 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(CCCC)n2Cc2cccs2)CC1 ZINC000491068308 468294126 /nfs/dbraw/zinc/29/41/26/468294126.db2.gz NULPAJFFGAAORR-UHFFFAOYSA-N 1 2 343.500 2.486 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000329696245 465409673 /nfs/dbraw/zinc/40/96/73/465409673.db2.gz BSTGIBCNAZYYAF-CPUCHLNUSA-N 1 2 344.390 2.128 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000329696245 465409679 /nfs/dbraw/zinc/40/96/79/465409679.db2.gz BSTGIBCNAZYYAF-CPUCHLNUSA-N 1 2 344.390 2.128 20 30 EEEDLO Cc1cc(F)cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000152850802 462589427 /nfs/dbraw/zinc/58/94/27/462589427.db2.gz NDVFSBCXJHLACU-UHFFFAOYSA-N 1 2 334.395 2.214 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1CCc2ccccc21 ZINC000115352924 462706606 /nfs/dbraw/zinc/70/66/06/462706606.db2.gz LHEOOHZOQZVHKC-SFHVURJKSA-N 1 2 341.455 2.181 20 30 EEEDLO N#C[C@@H]1CC[C@H](n2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000590724917 468317526 /nfs/dbraw/zinc/31/75/26/468317526.db2.gz VSELSPLBAFFABO-IKGGRYGDSA-N 1 2 338.415 2.111 20 30 EEEDLO N#C[C@@H]1CC[C@H](n2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000590724917 468317530 /nfs/dbraw/zinc/31/75/30/468317530.db2.gz VSELSPLBAFFABO-IKGGRYGDSA-N 1 2 338.415 2.111 20 30 EEEDLO Cc1ccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000047609356 462803806 /nfs/dbraw/zinc/80/38/06/462803806.db2.gz DKMDHJSIVUDAHC-UHFFFAOYSA-N 1 2 334.423 2.149 20 30 EEEDLO CC[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117777583 462812495 /nfs/dbraw/zinc/81/24/95/462812495.db2.gz QXOOXQHOTOJOIU-RDTXWAMCSA-N 1 2 332.423 2.145 20 30 EEEDLO Cc1noc(C)c1CN1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000065682133 462818224 /nfs/dbraw/zinc/81/82/24/462818224.db2.gz TVFUYINKIBAXBI-UHFFFAOYSA-N 1 2 340.427 2.360 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000065682133 462818225 /nfs/dbraw/zinc/81/82/25/462818225.db2.gz TVFUYINKIBAXBI-UHFFFAOYSA-N 1 2 340.427 2.360 20 30 EEEDLO C[C@@H](C#N)CN(C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000066470599 462893058 /nfs/dbraw/zinc/89/30/58/462893058.db2.gz HYPNEGHQVMKEPC-AWEZNQCLSA-N 1 2 349.504 2.405 20 30 EEEDLO C#CC[N@@H+](CCCOc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066538118 462902201 /nfs/dbraw/zinc/90/22/01/462902201.db2.gz JOOVWQKBZOCKBK-HNNXBMFYSA-N 1 2 341.860 2.231 20 30 EEEDLO C#CC[N@H+](CCCOc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066538118 462902204 /nfs/dbraw/zinc/90/22/04/462902204.db2.gz JOOVWQKBZOCKBK-HNNXBMFYSA-N 1 2 341.860 2.231 20 30 EEEDLO COc1cc(C#N)ccc1OCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120268929 462979915 /nfs/dbraw/zinc/97/99/15/462979915.db2.gz RSGMEXIDSLGMGU-CQSZACIVSA-N 1 2 340.383 2.423 20 30 EEEDLO Cc1ccc2[nH+]c(CN3CCN(c4cc(C#N)ccn4)CC3)cn2c1 ZINC000051877473 463052505 /nfs/dbraw/zinc/05/25/05/463052505.db2.gz SCIUXOPUVQQEGL-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO Cc1ccc2nc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)cn2c1 ZINC000051877473 463052509 /nfs/dbraw/zinc/05/25/09/463052509.db2.gz SCIUXOPUVQQEGL-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023258360 463063925 /nfs/dbraw/zinc/06/39/25/463063925.db2.gz YQJZEJIJWVJBAT-KRWDZBQOSA-N 1 2 340.471 2.077 20 30 EEEDLO C[C@@H](C(=O)N1CCCCC1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258360 463063928 /nfs/dbraw/zinc/06/39/28/463063928.db2.gz YQJZEJIJWVJBAT-KRWDZBQOSA-N 1 2 340.471 2.077 20 30 EEEDLO N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000068238262 463109725 /nfs/dbraw/zinc/10/97/25/463109725.db2.gz JAJNSIPIEGHKHD-GOSISDBHSA-N 1 2 345.406 2.357 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(-c2cccs2)on1 ZINC000078688022 463140104 /nfs/dbraw/zinc/14/01/04/463140104.db2.gz ZEEJIEFNOXIGCL-UHFFFAOYSA-N 1 2 346.456 2.451 20 30 EEEDLO CCCCNC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078691703 463141537 /nfs/dbraw/zinc/14/15/37/463141537.db2.gz KAMHAUDQZKETJI-WMZOPIPTSA-N 1 2 328.460 2.174 20 30 EEEDLO C[C@@H](NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2)c1cccs1 ZINC000158146015 463209226 /nfs/dbraw/zinc/20/92/26/463209226.db2.gz HXVYAMBQFACKIT-LLVKDONJSA-N 1 2 345.424 2.197 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000069353924 463235117 /nfs/dbraw/zinc/23/51/17/463235117.db2.gz YECOEAONLYOZSH-HKUYNNGSSA-N 1 2 346.471 2.466 20 30 EEEDLO C=CCOCCCC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000079658206 463238840 /nfs/dbraw/zinc/23/88/40/463238840.db2.gz GVEJJLHAXONJPJ-LJQANCHMSA-N 1 2 346.471 2.467 20 30 EEEDLO N#Cc1ccc(OC2C[NH+](C[C@H](O)COCc3ccccc3)C2)cc1 ZINC000158567771 463241428 /nfs/dbraw/zinc/24/14/28/463241428.db2.gz ZBDVFMTXXHWLPN-SFHVURJKSA-N 1 2 338.407 2.199 20 30 EEEDLO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000030541268 463302885 /nfs/dbraw/zinc/30/28/85/463302885.db2.gz JWHDYTZCQQOZAN-DNVCBOLYSA-N 1 2 344.459 2.308 20 30 EEEDLO Cc1ccc(NC(=O)C[N@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000030541268 463302887 /nfs/dbraw/zinc/30/28/87/463302887.db2.gz JWHDYTZCQQOZAN-DNVCBOLYSA-N 1 2 344.459 2.308 20 30 EEEDLO Cc1oc(-c2cccs2)nc1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000522054076 468352534 /nfs/dbraw/zinc/35/25/34/468352534.db2.gz JEMXXWJKHCGPPF-INIZCTEOSA-N 1 2 332.429 2.214 20 30 EEEDLO CCc1nc(C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)cs1 ZINC000070697563 463380156 /nfs/dbraw/zinc/38/01/56/463380156.db2.gz YDLIZCQRYHNEPK-OAHLLOKOSA-N 1 2 331.441 2.449 20 30 EEEDLO CCc1nc(C[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)cs1 ZINC000070697563 463380162 /nfs/dbraw/zinc/38/01/62/463380162.db2.gz YDLIZCQRYHNEPK-OAHLLOKOSA-N 1 2 331.441 2.449 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000124165667 463395345 /nfs/dbraw/zinc/39/53/45/463395345.db2.gz GOEAGHBWRQCJAO-UHFFFAOYSA-N 1 2 341.455 2.035 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000124165667 463395348 /nfs/dbraw/zinc/39/53/48/463395348.db2.gz GOEAGHBWRQCJAO-UHFFFAOYSA-N 1 2 341.455 2.035 20 30 EEEDLO N#Cc1ccc(SCC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000152392577 463684433 /nfs/dbraw/zinc/68/44/33/463684433.db2.gz COFPRDZGZVCYQD-OAHLLOKOSA-N 1 2 338.436 2.440 20 30 EEEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152446237 463691876 /nfs/dbraw/zinc/69/18/76/463691876.db2.gz NQQYNJPRUCSMTF-GOEBONIOSA-N 1 2 336.395 2.116 20 30 EEEDLO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287278087 463855262 /nfs/dbraw/zinc/85/52/62/463855262.db2.gz LOJBHCADJOAOJG-LBPRGKRZSA-N 1 2 336.233 2.279 20 30 EEEDLO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287278087 463855267 /nfs/dbraw/zinc/85/52/67/463855267.db2.gz 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/nfs/dbraw/zinc/42/03/19/468420319.db2.gz MNJHAEJRMNSQAC-UHFFFAOYSA-N 1 2 341.440 2.279 20 30 EEEDLO CCN(CC)c1ccc(CNS(=O)(=O)CC(C)(C)CC#N)c[nH+]1 ZINC000295189243 464739041 /nfs/dbraw/zinc/73/90/41/464739041.db2.gz KQJIZJUDAMIKRB-UHFFFAOYSA-N 1 2 338.477 2.287 20 30 EEEDLO CCCCC[N@H+](CC(N)=O)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000183027537 464779022 /nfs/dbraw/zinc/77/90/22/464779022.db2.gz PVLSNZNUZVFOKP-UHFFFAOYSA-N 1 2 336.823 2.128 20 30 EEEDLO CCCCC[N@@H+](CC(N)=O)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000183027537 464779028 /nfs/dbraw/zinc/77/90/28/464779028.db2.gz PVLSNZNUZVFOKP-UHFFFAOYSA-N 1 2 336.823 2.128 20 30 EEEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191210258 464797655 /nfs/dbraw/zinc/79/76/55/464797655.db2.gz ZPZBZGFWCPQDOG-ZDUSSCGKSA-N 1 2 331.441 2.493 20 30 EEEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191210258 464797658 /nfs/dbraw/zinc/79/76/58/464797658.db2.gz ZPZBZGFWCPQDOG-ZDUSSCGKSA-N 1 2 331.441 2.493 20 30 EEEDLO 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ZINC000329733656 465418993 /nfs/dbraw/zinc/41/89/93/465418993.db2.gz JUWSOIGUOJCZLL-UONOGXRCSA-N 1 2 328.420 2.023 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000342965370 465419160 /nfs/dbraw/zinc/41/91/60/465419160.db2.gz JDLUMUDGYBWWCK-OAHLLOKOSA-N 1 2 332.448 2.462 20 30 EEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(OC(F)(F)F)c3)C[C@H]21 ZINC000329912461 465472369 /nfs/dbraw/zinc/47/23/69/465472369.db2.gz BGXHKYAXKLWMRA-CHWSQXEVSA-N 1 2 345.321 2.146 20 30 EEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(OC(F)(F)F)c3)C[C@H]21 ZINC000329912461 465472376 /nfs/dbraw/zinc/47/23/76/465472376.db2.gz BGXHKYAXKLWMRA-CHWSQXEVSA-N 1 2 345.321 2.146 20 30 EEEDLO C[C@@H]1C[C@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CO1 ZINC000329928743 465477247 /nfs/dbraw/zinc/47/72/47/465477247.db2.gz MTZKUUGXEABZED-NJAFHUGGSA-N 1 2 332.444 2.311 20 30 EEEDLO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329979699 465495935 /nfs/dbraw/zinc/49/59/35/465495935.db2.gz 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ZINC000348343891 465559964 /nfs/dbraw/zinc/55/99/64/465559964.db2.gz FHXCOTZWDFMICG-UHFFFAOYSA-N 1 2 328.803 2.347 20 30 EEEDLO CCn1cnc2c(c1=O)CC[N@@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC000348343891 465559965 /nfs/dbraw/zinc/55/99/65/465559965.db2.gz FHXCOTZWDFMICG-UHFFFAOYSA-N 1 2 328.803 2.347 20 30 EEEDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc2n(n1)CCCO2 ZINC000330302395 465604302 /nfs/dbraw/zinc/60/43/02/465604302.db2.gz OJHMFRBPTAAJJX-UHFFFAOYSA-N 1 2 327.388 2.166 20 30 EEEDLO C=CCn1c(CC2CCCC2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000337821392 465604949 /nfs/dbraw/zinc/60/49/49/465604949.db2.gz SBOYCXLNLRTPIA-KRWDZBQOSA-N 1 2 345.491 2.108 20 30 EEEDLO CC[C@H](NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)c1nccs1 ZINC000330328325 465613934 /nfs/dbraw/zinc/61/39/34/465613934.db2.gz LPMSSPWUXUCBET-QWHCGFSZSA-N 1 2 348.476 2.230 20 30 EEEDLO CC[C@H](NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1)C1CCOCC1 ZINC000330336174 465618290 /nfs/dbraw/zinc/61/82/90/465618290.db2.gz SFHMOPMYRSQILO-HOTGVXAUSA-N 1 2 349.479 2.208 20 30 EEEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[NH2+][C@@H](CC)CC#N ZINC000569136392 468445281 /nfs/dbraw/zinc/44/52/81/468445281.db2.gz AMYWRQVYAPDDIG-HOCLYGCPSA-N 1 2 344.459 2.316 20 30 EEEDLO Cc1ccc(/C=C/C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000299264342 465671986 /nfs/dbraw/zinc/67/19/86/465671986.db2.gz MZADKUOWHWZZDT-BQYQJAHWSA-N 1 2 327.428 2.083 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Br)cs2)CC1 ZINC000299305297 465689074 /nfs/dbraw/zinc/68/90/74/465689074.db2.gz HVPYFZSSWMEGQG-UHFFFAOYSA-N 1 2 327.247 2.292 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000348580263 465698718 /nfs/dbraw/zinc/69/87/18/465698718.db2.gz XUZOWXXRTKZPFY-NVGCLXPQSA-N 1 2 335.452 2.461 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1C#N ZINC000330754217 465790543 /nfs/dbraw/zinc/79/05/43/465790543.db2.gz YCNRPWUKHHAJQW-LLVKDONJSA-N 1 2 348.472 2.183 20 30 EEEDLO CC[C@@H]1CCC[C@H](NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000331227296 465989681 /nfs/dbraw/zinc/98/96/81/465989681.db2.gz FTRNZGLJNYUZGE-ILXRZTDVSA-N 1 2 340.468 2.037 20 30 EEEDLO CC[C@@H]1CCC[C@H](NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000331227296 465989686 /nfs/dbraw/zinc/98/96/86/465989686.db2.gz FTRNZGLJNYUZGE-ILXRZTDVSA-N 1 2 340.468 2.037 20 30 EEEDLO N#Cc1ccc(OC(F)F)c(NC(=O)NCc2ccc(N)[nH+]c2)c1 ZINC000338445416 466133350 /nfs/dbraw/zinc/13/33/50/466133350.db2.gz UOBICHWPAAOMSM-UHFFFAOYSA-N 1 2 333.298 2.459 20 30 EEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Cc1noc(C)c1C#N ZINC000331633467 466172311 /nfs/dbraw/zinc/17/23/11/466172311.db2.gz OQYZPPSATUEHFR-OAHLLOKOSA-N 1 2 327.388 2.367 20 30 EEEDLO N#Cc1ccc(F)c(CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)c1 ZINC000302878673 466203780 /nfs/dbraw/zinc/20/37/80/466203780.db2.gz GNMSRJQJFAKMDS-HNNXBMFYSA-N 1 2 341.390 2.451 20 30 EEEDLO N#Cc1ccc(F)c(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)c1 ZINC000302878673 466203783 /nfs/dbraw/zinc/20/37/83/466203783.db2.gz GNMSRJQJFAKMDS-HNNXBMFYSA-N 1 2 341.390 2.451 20 30 EEEDLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000581081433 468488030 /nfs/dbraw/zinc/48/80/30/468488030.db2.gz AOZCKMVBHHZVRR-UHFFFAOYSA-N 1 2 343.412 2.013 20 30 EEEDLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000581081433 468488034 /nfs/dbraw/zinc/48/80/34/468488034.db2.gz AOZCKMVBHHZVRR-UHFFFAOYSA-N 1 2 343.412 2.013 20 30 EEEDLO N#CCOc1ccc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000363464626 466421835 /nfs/dbraw/zinc/42/18/35/466421835.db2.gz FDMRHBZUBBNOLN-HNNXBMFYSA-N 1 2 339.399 2.401 20 30 EEEDLO Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)no1 ZINC000332441653 466541269 /nfs/dbraw/zinc/54/12/69/466541269.db2.gz BCKZMVQWUYDVHA-UHFFFAOYSA-N 1 2 325.372 2.100 20 30 EEEDLO C[N@H+](CC(=O)NCC(=O)c1cccs1)Cc1cccc(C#N)c1 ZINC000354523925 466628330 /nfs/dbraw/zinc/62/83/30/466628330.db2.gz ZWODSMAGBHNWAQ-UHFFFAOYSA-N 1 2 327.409 2.051 20 30 EEEDLO C[N@@H+](CC(=O)NCC(=O)c1cccs1)Cc1cccc(C#N)c1 ZINC000354523925 466628335 /nfs/dbraw/zinc/62/83/35/466628335.db2.gz ZWODSMAGBHNWAQ-UHFFFAOYSA-N 1 2 327.409 2.051 20 30 EEEDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000363925985 466657423 /nfs/dbraw/zinc/65/74/23/466657423.db2.gz XMUVOOCATVWPRE-AWEZNQCLSA-N 1 2 329.429 2.437 20 30 EEEDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000363925985 466657424 /nfs/dbraw/zinc/65/74/24/466657424.db2.gz XMUVOOCATVWPRE-AWEZNQCLSA-N 1 2 329.429 2.437 20 30 EEEDLO C#CCCOc1ccc(C[N@H+]2CC[C@H](OC)C[C@H]2C(=O)OC)cc1 ZINC000376823406 466935801 /nfs/dbraw/zinc/93/58/01/466935801.db2.gz PHDACNFZANHJRY-ROUUACIJSA-N 1 2 331.412 2.241 20 30 EEEDLO C#CCCOc1ccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C(=O)OC)cc1 ZINC000376823406 466935803 /nfs/dbraw/zinc/93/58/03/466935803.db2.gz PHDACNFZANHJRY-ROUUACIJSA-N 1 2 331.412 2.241 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cc(C)on2)CC1 ZINC000370814549 467013604 /nfs/dbraw/zinc/01/36/04/467013604.db2.gz LWAKBTQCHHDVAH-UHFFFAOYSA-N 1 2 328.210 2.086 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1cccc(C)c1C#N)CCC2 ZINC000370954943 467054337 /nfs/dbraw/zinc/05/43/37/467054337.db2.gz WROARJPUQNZCAK-AWEZNQCLSA-N 1 2 344.440 2.228 20 30 EEEDLO CO[C@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000432057397 467211181 /nfs/dbraw/zinc/21/11/81/467211181.db2.gz MHUHPMAFLARIBT-OALUTQOASA-N 1 2 341.455 2.408 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2Cc2cccc(F)c2C#N)O1 ZINC000428941602 467281715 /nfs/dbraw/zinc/28/17/15/467281715.db2.gz WMCZLIHLFAFJDO-QYHDQYMBSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2Cc2cccc(F)c2C#N)O1 ZINC000428941602 467281719 /nfs/dbraw/zinc/28/17/19/467281719.db2.gz WMCZLIHLFAFJDO-QYHDQYMBSA-N 1 2 332.375 2.381 20 30 EEEDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000451983753 467293989 /nfs/dbraw/zinc/29/39/89/467293989.db2.gz CONFCVCLQNPOGR-OAHLLOKOSA-N 1 2 325.416 2.047 20 30 EEEDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000451983753 467293995 /nfs/dbraw/zinc/29/39/95/467293995.db2.gz CONFCVCLQNPOGR-OAHLLOKOSA-N 1 2 325.416 2.047 20 30 EEEDLO CCc1ncc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cn1 ZINC000414366049 467406576 /nfs/dbraw/zinc/40/65/76/467406576.db2.gz AXKHSWVBQDWACO-UHFFFAOYSA-N 1 2 325.391 2.372 20 30 EEEDLO COc1cc(C[N@@H+]2CCNC(=O)[C@H]2Cc2ccccc2)ccc1C#N ZINC000442836344 467577944 /nfs/dbraw/zinc/57/79/44/467577944.db2.gz GVLCBRFQKZTVRQ-GOSISDBHSA-N 1 2 335.407 2.110 20 30 EEEDLO COc1cc(C[N@H+]2CCNC(=O)[C@H]2Cc2ccccc2)ccc1C#N ZINC000442836344 467577946 /nfs/dbraw/zinc/57/79/46/467577946.db2.gz GVLCBRFQKZTVRQ-GOSISDBHSA-N 1 2 335.407 2.110 20 30 EEEDLO COc1cc(C[N@H+](C)CC(=O)NCc2cccs2)ccc1C#N ZINC000442878936 467578149 /nfs/dbraw/zinc/57/81/49/467578149.db2.gz HLWPVXMBHJMELD-UHFFFAOYSA-N 1 2 329.425 2.377 20 30 EEEDLO COc1cc(C[N@@H+](C)CC(=O)NCc2cccs2)ccc1C#N ZINC000442878936 467578151 /nfs/dbraw/zinc/57/81/51/467578151.db2.gz HLWPVXMBHJMELD-UHFFFAOYSA-N 1 2 329.425 2.377 20 30 EEEDLO N#Cc1ccc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1F ZINC000454251746 467579795 /nfs/dbraw/zinc/57/97/95/467579795.db2.gz JDJGZWCGPMVILB-UHFFFAOYSA-N 1 2 341.390 2.272 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccnn1C1CCCC1 ZINC000448994206 467611096 /nfs/dbraw/zinc/61/10/96/467611096.db2.gz NYJDJODDSXQKLH-UHFFFAOYSA-N 1 2 331.464 2.046 20 30 EEEDLO C=CCOc1ccc(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cc1OC ZINC000449652597 467678533 /nfs/dbraw/zinc/67/85/33/467678533.db2.gz QJNUOYBDTLLPNQ-ZDUSSCGKSA-N 1 2 340.370 2.235 20 30 EEEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000459371719 467956424 /nfs/dbraw/zinc/95/64/24/467956424.db2.gz GZBYJLWJRBBSDB-SFHVURJKSA-N 1 2 349.438 2.442 20 30 EEEDLO CC(C)C[C@@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)[NH+]1CCOCC1 ZINC000517281601 468079967 /nfs/dbraw/zinc/07/99/67/468079967.db2.gz AIABTPTVPMHWBN-LPHOPBHVSA-N 1 2 333.476 2.324 20 30 EEEDLO C=CC[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000533387839 468197085 /nfs/dbraw/zinc/19/70/85/468197085.db2.gz SMQOJLDOMISSEP-LBPRGKRZSA-N 1 2 343.832 2.244 20 30 EEEDLO C=CC[N@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000533387839 468197090 /nfs/dbraw/zinc/19/70/90/468197090.db2.gz SMQOJLDOMISSEP-LBPRGKRZSA-N 1 2 343.832 2.244 20 30 EEEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000594303575 468548246 /nfs/dbraw/zinc/54/82/46/468548246.db2.gz ZDXNPYWPYQXEIX-APWZRJJASA-N 1 2 341.455 2.060 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)C(C)(C)CO ZINC000597846379 468691735 /nfs/dbraw/zinc/69/17/35/468691735.db2.gz KZWOPPCDOORTMD-CQSZACIVSA-N 1 2 346.818 2.435 20 30 EEEDLO C[C@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC2(CCC2)O1 ZINC000570799384 468694002 /nfs/dbraw/zinc/69/40/02/468694002.db2.gz ZUTRDBMVAQVUSW-WMLDXEAASA-N 1 2 325.412 2.307 20 30 EEEDLO C[C@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC2(CCC2)O1 ZINC000570799384 468694008 /nfs/dbraw/zinc/69/40/08/468694008.db2.gz ZUTRDBMVAQVUSW-WMLDXEAASA-N 1 2 325.412 2.307 20 30 EEEDLO N#Cc1ccncc1N1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000595500649 468877955 /nfs/dbraw/zinc/87/79/55/468877955.db2.gz FWVVDBXFNAMDHQ-UHFFFAOYSA-N 1 2 330.395 2.219 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc(-c2ccccc2Cl)nc1 ZINC000593153240 468888200 /nfs/dbraw/zinc/88/82/00/468888200.db2.gz GORVAXNQFUFEOH-KRWDZBQOSA-N 1 2 343.818 2.371 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 ZINC000593154249 468888357 /nfs/dbraw/zinc/88/83/57/468888357.db2.gz CHQYMIGQQZKPHJ-LJQANCHMSA-N 1 2 344.459 2.036 20 30 EEEDLO N#CCC[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000595565642 468904231 /nfs/dbraw/zinc/90/42/31/468904231.db2.gz CDJJOIPVVBVPGX-QZTJIDSGSA-N 1 2 342.443 2.148 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611663 468922054 /nfs/dbraw/zinc/92/20/54/468922054.db2.gz MQGJVGRSASRRAM-UONOGXRCSA-N 1 2 329.400 2.410 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611663 468922057 /nfs/dbraw/zinc/92/20/57/468922057.db2.gz MQGJVGRSASRRAM-UONOGXRCSA-N 1 2 329.400 2.410 20 30 EEEDLO N#Cc1ccsc1N1CC[C@H](N2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000610581834 469009485 /nfs/dbraw/zinc/00/94/85/469009485.db2.gz QWGIENKSUZZXPH-CABCVRRESA-N 1 2 341.440 2.259 20 30 EEEDLO CC[C@H]([NH2+]CC(=O)N(CC)C[C@H](C)C#N)c1nnc2n1CCCCC2 ZINC000595798972 469017204 /nfs/dbraw/zinc/01/72/04/469017204.db2.gz BEBOWJDWESMMRH-CABCVRRESA-N 1 2 346.479 2.053 20 30 EEEDLO COc1ccc(CCC(=O)N2CC[NH+](CC3(CC#N)CC3)CC2)cc1 ZINC000602768635 469062594 /nfs/dbraw/zinc/06/25/94/469062594.db2.gz LDNZWAICAMCEMD-UHFFFAOYSA-N 1 2 341.455 2.466 20 30 EEEDLO CC(C)(C(=O)N[C@@H]1CCn2c[nH+]cc2C1)c1cc(F)cc(C#N)c1 ZINC000598947800 469062730 /nfs/dbraw/zinc/06/27/30/469062730.db2.gz NCVWJEDHXZBIPQ-OAHLLOKOSA-N 1 2 326.375 2.303 20 30 EEEDLO CC[N@H+](CC(=O)NC1CCN(CC#N)CC1)Cc1ccccc1Cl ZINC000588351771 469142884 /nfs/dbraw/zinc/14/28/84/469142884.db2.gz KTCGUKDJBKPPPQ-UHFFFAOYSA-N 1 2 348.878 2.266 20 30 EEEDLO CC[N@@H+](CC(=O)NC1CCN(CC#N)CC1)Cc1ccccc1Cl ZINC000588351771 469142890 /nfs/dbraw/zinc/14/28/90/469142890.db2.gz KTCGUKDJBKPPPQ-UHFFFAOYSA-N 1 2 348.878 2.266 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(OCc2ccccc2)nc1 ZINC000573568494 469163400 /nfs/dbraw/zinc/16/34/00/469163400.db2.gz WSXIGNHODHINBI-IBGZPJMESA-N 1 2 338.411 2.234 20 30 EEEDLO COc1ccc(-c2noc([C@H](C)[NH+]3CCN(CCC#N)CC3)n2)cc1 ZINC000611173695 469180206 /nfs/dbraw/zinc/18/02/06/469180206.db2.gz GZBISAYKTPPNLS-AWEZNQCLSA-N 1 2 341.415 2.337 20 30 EEEDLO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611175930 469182763 /nfs/dbraw/zinc/18/27/63/469182763.db2.gz PAJIHUZNNJJAFO-IAGOWNOFSA-N 1 2 328.460 2.092 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)Cc2[nH]cc[nH+]2)c1 ZINC000611191085 469189178 /nfs/dbraw/zinc/18/91/78/469189178.db2.gz HUMVZBHYNGKYMO-UHFFFAOYSA-N 1 2 325.416 2.405 20 30 EEEDLO COc1cc(C)nc(N2CC[NH+](Cc3ccc(C)c(C#N)c3)CC2)n1 ZINC000599289087 469193358 /nfs/dbraw/zinc/19/33/58/469193358.db2.gz RDLWMKZWOFULHN-UHFFFAOYSA-N 1 2 337.427 2.296 20 30 EEEDLO Cc1cc(N2CCC[C@@H]([NH+]3CCOCC3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000596248383 469220568 /nfs/dbraw/zinc/22/05/68/469220568.db2.gz WOZPZAZJWPXPOE-OAHLLOKOSA-N 1 2 330.388 2.076 20 30 EEEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000603021743 469227154 /nfs/dbraw/zinc/22/71/54/469227154.db2.gz VWCHGIBHRGIOSR-CYBMUJFWSA-N 1 2 341.436 2.325 20 30 EEEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000603021743 469227160 /nfs/dbraw/zinc/22/71/60/469227160.db2.gz VWCHGIBHRGIOSR-CYBMUJFWSA-N 1 2 341.436 2.325 20 30 EEEDLO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1nc(C(C)(C)C)no1 ZINC000599370532 469232290 /nfs/dbraw/zinc/23/22/90/469232290.db2.gz JJJVYXFRFLRGEO-TZMCWYRMSA-N 1 2 344.415 2.329 20 30 EEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCOc2cccc(F)c2C1 ZINC000599400716 469243739 /nfs/dbraw/zinc/24/37/39/469243739.db2.gz CXMGHDIVEJOGDE-HNNXBMFYSA-N 1 2 342.370 2.332 20 30 EEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCOc2cccc(F)c2C1 ZINC000599400716 469243743 /nfs/dbraw/zinc/24/37/43/469243743.db2.gz CXMGHDIVEJOGDE-HNNXBMFYSA-N 1 2 342.370 2.332 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)c(F)c1 ZINC000611432402 469249132 /nfs/dbraw/zinc/24/91/32/469249132.db2.gz YRQGNZAQNUBMFK-KRWDZBQOSA-N 1 2 333.407 2.278 20 30 EEEDLO N#C[C@@]1(F)CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000615538116 469258753 /nfs/dbraw/zinc/25/87/53/469258753.db2.gz MIZGTTPHCRJVQW-INIZCTEOSA-N 1 2 331.326 2.159 20 30 EEEDLO CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611550350 469276204 /nfs/dbraw/zinc/27/62/04/469276204.db2.gz DJPCIXKFSRIWCR-MAUKXSAKSA-N 1 2 346.450 2.263 20 30 EEEDLO Cc1nccn1CC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551729 469277270 /nfs/dbraw/zinc/27/72/70/469277270.db2.gz SRFBWWGBHTYGTL-GOSISDBHSA-N 1 2 327.407 2.213 20 30 EEEDLO N#Cc1cnnc(N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)c1 ZINC000603419651 469388845 /nfs/dbraw/zinc/38/88/45/469388845.db2.gz OZMFQFCJMOQDCW-UHFFFAOYSA-N 1 2 334.305 2.089 20 30 EEEDLO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612155145 469407389 /nfs/dbraw/zinc/40/73/89/469407389.db2.gz QPUXHNHQPAOZTJ-KBXCAEBGSA-N 1 2 328.416 2.027 20 30 EEEDLO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612155145 469407394 /nfs/dbraw/zinc/40/73/94/469407394.db2.gz QPUXHNHQPAOZTJ-KBXCAEBGSA-N 1 2 328.416 2.027 20 30 EEEDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000619531766 469633083 /nfs/dbraw/zinc/63/30/83/469633083.db2.gz JSWNDLKNYYBFSI-MRXNPFEDSA-N 1 2 332.404 2.269 20 30 EEEDLO C=CCCOCC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000620163241 469777880 /nfs/dbraw/zinc/77/78/80/469777880.db2.gz KVCNOQGXVYYSNP-UHFFFAOYSA-N 1 2 332.444 2.241 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000609486513 469932707 /nfs/dbraw/zinc/93/27/07/469932707.db2.gz LMOBEQARTZZWRH-OALUTQOASA-N 1 2 340.471 2.172 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N(C)c2ccccc2)CC1 ZINC000609537674 469937221 /nfs/dbraw/zinc/93/72/21/469937221.db2.gz BWRQBOZKUNBUHD-FUHWJXTLSA-N 1 2 328.460 2.204 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N(CC)C2CCCCC2)nn1 ZINC000640827110 471050515 /nfs/dbraw/zinc/05/05/15/471050515.db2.gz MAKZQJCIWDFGGD-HNNXBMFYSA-N 1 2 331.464 2.133 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000653124378 471499702 /nfs/dbraw/zinc/49/97/02/471499702.db2.gz VVXVHSKEQIMNCB-OWCLPIDISA-N 1 2 344.390 2.291 20 30 EEEDLO C=CCCC(C)(C)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000663781467 471516547 /nfs/dbraw/zinc/51/65/47/471516547.db2.gz ULIYVOOZEXEMDR-KRWDZBQOSA-N 1 2 341.521 2.238 20 30 EEEDLO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 ZINC000661381433 471734446 /nfs/dbraw/zinc/73/44/46/471734446.db2.gz KRACTCGZXGTOFJ-CQSZACIVSA-N 1 2 336.457 2.317 20 30 EEEDLO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 ZINC000661381433 471734453 /nfs/dbraw/zinc/73/44/53/471734453.db2.gz KRACTCGZXGTOFJ-CQSZACIVSA-N 1 2 336.457 2.317 20 30 EEEDLO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 ZINC000661381432 471734554 /nfs/dbraw/zinc/73/45/54/471734554.db2.gz KRACTCGZXGTOFJ-AWEZNQCLSA-N 1 2 336.457 2.317 20 30 EEEDLO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 ZINC000661381432 471734561 /nfs/dbraw/zinc/73/45/61/471734561.db2.gz KRACTCGZXGTOFJ-AWEZNQCLSA-N 1 2 336.457 2.317 20 30 EEEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)NCc2cn3ccc(C)cc3[nH+]2)C1 ZINC000668615700 472196003 /nfs/dbraw/zinc/19/60/03/472196003.db2.gz WLBPXGZOZKLLJY-OAHLLOKOSA-N 1 2 340.427 2.074 20 30 EEEDLO COC(=O)[C@@H]1C[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C[C@H]1C ZINC000592129465 485597774 /nfs/dbraw/zinc/59/77/74/485597774.db2.gz FRCVOFJCWBYTRT-CXAGYDPISA-N 1 2 338.411 2.293 20 30 EEEDLO COC(=O)[C@@H]1C[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C[C@H]1C ZINC000592129465 485597778 /nfs/dbraw/zinc/59/77/78/485597778.db2.gz FRCVOFJCWBYTRT-CXAGYDPISA-N 1 2 338.411 2.293 20 30 EEEDLO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000677819373 486500139 /nfs/dbraw/zinc/50/01/39/486500139.db2.gz ZZXCAASCZJXDPT-MRXNPFEDSA-N 1 2 326.396 2.277 20 30 EEEDLO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000677819373 486500145 /nfs/dbraw/zinc/50/01/45/486500145.db2.gz ZZXCAASCZJXDPT-MRXNPFEDSA-N 1 2 326.396 2.277 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2coc(C)n2)[C@@H]1CC ZINC001087732492 782147058 /nfs/dbraw/zinc/14/70/58/782147058.db2.gz YCQDDPSATJTDLY-TWMKSMIVSA-N 1 2 333.432 2.043 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2coc(C)n2)[C@@H]1CC ZINC001087732492 782147067 /nfs/dbraw/zinc/14/70/67/782147067.db2.gz YCQDDPSATJTDLY-TWMKSMIVSA-N 1 2 333.432 2.043 20 30 EEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)CCC2 ZINC000350657829 534508556 /nfs/dbraw/zinc/50/85/56/534508556.db2.gz SRQXYNUBACGYDB-MSOLQXFVSA-N 1 2 347.422 2.439 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000291677123 527541074 /nfs/dbraw/zinc/54/10/74/527541074.db2.gz WVLYBKXOLYPODS-OXJNMPFZSA-N 1 2 346.471 2.445 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000291677123 527541078 /nfs/dbraw/zinc/54/10/78/527541078.db2.gz WVLYBKXOLYPODS-OXJNMPFZSA-N 1 2 346.471 2.445 20 30 EEEDLO CC[N@@H+](Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)C[C@H](C)C#N ZINC000091982908 528766598 /nfs/dbraw/zinc/76/65/98/528766598.db2.gz XQYQUVAWBXTSJY-LLVKDONJSA-N 1 2 339.823 2.194 20 30 EEEDLO CC[N@H+](Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)C[C@H](C)C#N ZINC000091982908 528766603 /nfs/dbraw/zinc/76/66/03/528766603.db2.gz XQYQUVAWBXTSJY-LLVKDONJSA-N 1 2 339.823 2.194 20 30 EEEDLO CCN1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1=O ZINC000495216176 535684842 /nfs/dbraw/zinc/68/48/42/535684842.db2.gz VXNCBKXVDGEGJX-LBPRGKRZSA-N 1 2 348.834 2.093 20 30 EEEDLO CCN1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1=O ZINC000495216176 535684846 /nfs/dbraw/zinc/68/48/46/535684846.db2.gz VXNCBKXVDGEGJX-LBPRGKRZSA-N 1 2 348.834 2.093 20 30 EEEDLO C#Cc1ccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)nc1 ZINC000737645380 576110419 /nfs/dbraw/zinc/11/04/19/576110419.db2.gz QBAKFHQOEOCJHU-UHFFFAOYSA-N 1 2 335.407 2.456 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)nc1 ZINC000728814631 576532957 /nfs/dbraw/zinc/53/29/57/576532957.db2.gz RRMSERBKNUXXIG-HXUWFJFHSA-N 1 2 349.434 2.175 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000730105064 576715790 /nfs/dbraw/zinc/71/57/90/576715790.db2.gz ADLBSALGDGDLHR-ROUUACIJSA-N 1 2 328.412 2.281 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000730105064 576715792 /nfs/dbraw/zinc/71/57/92/576715792.db2.gz ADLBSALGDGDLHR-ROUUACIJSA-N 1 2 328.412 2.281 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1 ZINC000730278547 577015281 /nfs/dbraw/zinc/01/52/81/577015281.db2.gz DKBCAFGZTHEJQB-PBHICJAKSA-N 1 2 327.428 2.251 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1 ZINC000730278547 577015283 /nfs/dbraw/zinc/01/52/83/577015283.db2.gz DKBCAFGZTHEJQB-PBHICJAKSA-N 1 2 327.428 2.251 20 30 EEEDLO C=CC[N@H+](CCCOc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000731214128 577086605 /nfs/dbraw/zinc/08/66/05/577086605.db2.gz BXFXHCCLPBBEKR-INIZCTEOSA-N 1 2 334.441 2.002 20 30 EEEDLO C=CC[N@@H+](CCCOc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000731214128 577086607 /nfs/dbraw/zinc/08/66/07/577086607.db2.gz BXFXHCCLPBBEKR-INIZCTEOSA-N 1 2 334.441 2.002 20 30 EEEDLO C=CC1CC[NH+](Cn2nnc(-c3ccc(OC)c(OC)c3)n2)CC1 ZINC000732181121 577153570 /nfs/dbraw/zinc/15/35/70/577153570.db2.gz KQAQFSLCXHNRAC-UHFFFAOYSA-N 1 2 329.404 2.213 20 30 EEEDLO COC(=O)[C@H](C)C[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000734150183 577278200 /nfs/dbraw/zinc/27/82/00/577278200.db2.gz ZHSIQISEMFUSLN-NEPJUHHUSA-N 1 2 345.424 2.213 20 30 EEEDLO COC(=O)[C@H](C)C[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000734150183 577278201 /nfs/dbraw/zinc/27/82/01/577278201.db2.gz ZHSIQISEMFUSLN-NEPJUHHUSA-N 1 2 345.424 2.213 20 30 EEEDLO O=S(=O)(NN=C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000764721148 577487358 /nfs/dbraw/zinc/48/73/58/577487358.db2.gz IRVUJNASNBEQGC-UHFFFAOYSA-N 1 2 348.403 2.155 20 30 EEEDLO N#Cc1ccc(CSCC(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000767498017 577538118 /nfs/dbraw/zinc/53/81/18/577538118.db2.gz CFPQQNMOMNPNGY-CALCHBBNSA-N 1 2 346.452 2.198 20 30 EEEDLO N#Cc1ccc(CSCC(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000767498017 577538119 /nfs/dbraw/zinc/53/81/19/577538119.db2.gz CFPQQNMOMNPNGY-CALCHBBNSA-N 1 2 346.452 2.198 20 30 EEEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)NCc3ccccn3)CC2)cc1 ZINC000767730189 577543758 /nfs/dbraw/zinc/54/37/58/577543758.db2.gz IGXKDNYQGNEOFQ-UHFFFAOYSA-N 1 2 332.407 2.359 20 30 EEEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NCc3ccccn3)CC2)cc1 ZINC000767730189 577543759 /nfs/dbraw/zinc/54/37/59/577543759.db2.gz IGXKDNYQGNEOFQ-UHFFFAOYSA-N 1 2 332.407 2.359 20 30 EEEDLO C#CCCOc1ccc(CN2CC[NH+](Cc3cnn(C)c3)CC2)cc1 ZINC000769306696 577574586 /nfs/dbraw/zinc/57/45/86/577574586.db2.gz BVWDIOHZVKRKJQ-UHFFFAOYSA-N 1 2 338.455 2.140 20 30 EEEDLO COc1ncnc(N)c1C=[NH+]Nc1ccc(Br)c(F)c1 ZINC000769827707 577585452 /nfs/dbraw/zinc/58/54/52/577585452.db2.gz ICIPSIPZCCUGSC-UHFFFAOYSA-N 1 2 340.156 2.415 20 30 EEEDLO Cc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cnc1Cl ZINC000770304458 577593738 /nfs/dbraw/zinc/59/37/38/577593738.db2.gz FSKRPTAGRHKXIJ-CYBMUJFWSA-N 1 2 342.834 2.416 20 30 EEEDLO Cc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cnc1Cl ZINC000770304458 577593739 /nfs/dbraw/zinc/59/37/39/577593739.db2.gz FSKRPTAGRHKXIJ-CYBMUJFWSA-N 1 2 342.834 2.416 20 30 EEEDLO Cc1ccnc(OC2CC[NH+](Cn3ccc(C)c(C#N)c3=O)CC2)c1 ZINC000758245904 577619914 /nfs/dbraw/zinc/61/99/14/577619914.db2.gz BQQXJLINXOCBCN-UHFFFAOYSA-N 1 2 338.411 2.233 20 30 EEEDLO N#CCCN1CC[NH+](C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000760945444 577672641 /nfs/dbraw/zinc/67/26/41/577672641.db2.gz XKYIETJTWSAKLK-HNNXBMFYSA-N 1 2 327.350 2.270 20 30 EEEDLO CC[C@@H]1C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C[C@@H]1O ZINC000761128566 577677550 /nfs/dbraw/zinc/67/75/50/577677550.db2.gz 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C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)[C@@H]2CCSC2)c1=S ZINC000755799082 577831841 /nfs/dbraw/zinc/83/18/41/577831841.db2.gz VCRLYLSFADFRGS-GFCCVEGCSA-N 1 2 348.501 2.452 20 30 EEEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)[C@@H]2CCSC2)c1=S ZINC000755799082 577831842 /nfs/dbraw/zinc/83/18/42/577831842.db2.gz VCRLYLSFADFRGS-GFCCVEGCSA-N 1 2 348.501 2.452 20 30 EEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(I)cc1 ZINC000746456889 577927997 /nfs/dbraw/zinc/92/79/97/577927997.db2.gz QAMGRWCAEOORCY-UHFFFAOYSA-N 1 2 342.180 2.185 20 30 EEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(I)cc1 ZINC000746456889 577927998 /nfs/dbraw/zinc/92/79/98/577927998.db2.gz QAMGRWCAEOORCY-UHFFFAOYSA-N 1 2 342.180 2.185 20 30 EEEDLO COC(=O)Nc1ccc(CNC(=O)C[N@H+](CCC#N)CC(C)C)cc1 ZINC000739915442 578073153 /nfs/dbraw/zinc/07/31/53/578073153.db2.gz ZTIFTOOZWCZBET-UHFFFAOYSA-N 1 2 346.431 2.353 20 30 EEEDLO COC(=O)Nc1ccc(CNC(=O)C[N@@H+](CCC#N)CC(C)C)cc1 ZINC000739915442 578073154 /nfs/dbraw/zinc/07/31/54/578073154.db2.gz ZTIFTOOZWCZBET-UHFFFAOYSA-N 1 2 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O=C(C1=COCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029239499 683661188 /nfs/dbraw/zinc/66/11/88/683661188.db2.gz SSBSLNDBGQMFDB-BGYRXZFFSA-N 1 2 336.435 2.408 20 30 EEEDLO O=C(C1=COCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029239499 683661192 /nfs/dbraw/zinc/66/11/92/683661192.db2.gz SSBSLNDBGQMFDB-BGYRXZFFSA-N 1 2 336.435 2.408 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](NC(=O)C(F)F)[C@H]1C ZINC000992940427 683671334 /nfs/dbraw/zinc/67/13/34/683671334.db2.gz BSOFKLCMXXZRHK-BXUZGUMPSA-N 1 2 337.370 2.301 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](NC(=O)C(F)F)[C@H]1C ZINC000992940427 683671342 /nfs/dbraw/zinc/67/13/42/683671342.db2.gz BSOFKLCMXXZRHK-BXUZGUMPSA-N 1 2 337.370 2.301 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)C2CCOCC2)[C@@H]1C ZINC000992971992 683696721 /nfs/dbraw/zinc/69/67/21/683696721.db2.gz URQMTIAOHCECSR-GXTWGEPZSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)C2CCOCC2)[C@@H]1C ZINC000992971992 683696725 /nfs/dbraw/zinc/69/67/25/683696725.db2.gz URQMTIAOHCECSR-GXTWGEPZSA-N 1 2 345.281 2.291 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ccn[nH]2)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000993069597 683833372 /nfs/dbraw/zinc/83/33/72/683833372.db2.gz KPZFNJWVOWIOLO-LRDDRELGSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ccn[nH]2)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000993069597 683833377 /nfs/dbraw/zinc/83/33/77/683833377.db2.gz KPZFNJWVOWIOLO-LRDDRELGSA-N 1 2 341.390 2.203 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC001027663909 693854950 /nfs/dbraw/zinc/85/49/50/693854950.db2.gz LXZWTZAOELJQLQ-IBGZPJMESA-N 1 2 337.423 2.321 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC001027663909 693854954 /nfs/dbraw/zinc/85/49/54/693854954.db2.gz LXZWTZAOELJQLQ-IBGZPJMESA-N 1 2 337.423 2.321 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCCC[C@@H]1C ZINC001029422858 684480504 /nfs/dbraw/zinc/48/05/04/684480504.db2.gz JPAXAVVYAMKGFJ-YESZJQIVSA-N 1 2 347.503 2.275 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCCC[C@@H]1C ZINC001029422858 684480507 /nfs/dbraw/zinc/48/05/07/684480507.db2.gz JPAXAVVYAMKGFJ-YESZJQIVSA-N 1 2 347.503 2.275 20 30 EEEDLO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]cc3ncnc2-3)C(C)(C)C1 ZINC000974605713 685119557 /nfs/dbraw/zinc/11/95/57/685119557.db2.gz AYPPHFBPNKCJLU-OAHLLOKOSA-N 1 2 327.432 2.364 20 30 EEEDLO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2c[nH]cc3ncnc2-3)C(C)(C)C1 ZINC000974605713 685119563 /nfs/dbraw/zinc/11/95/63/685119563.db2.gz AYPPHFBPNKCJLU-OAHLLOKOSA-N 1 2 327.432 2.364 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2ccc(C(F)F)n2)C(C)(C)C1 ZINC000974664368 685190425 /nfs/dbraw/zinc/19/04/25/685190425.db2.gz LUVSXOUXRNGQIF-GFCCVEGCSA-N 1 2 346.809 2.400 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2ccc(C(F)F)n2)C(C)(C)C1 ZINC000974664368 685190428 /nfs/dbraw/zinc/19/04/28/685190428.db2.gz LUVSXOUXRNGQIF-GFCCVEGCSA-N 1 2 346.809 2.400 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC(F)(F)C(F)F)CC2)cc1 ZINC000899967130 693946537 /nfs/dbraw/zinc/94/65/37/693946537.db2.gz AIHRHVIWYDTGBX-UHFFFAOYSA-N 1 2 343.324 2.493 20 30 EEEDLO CCc1cnc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C[C@H]2C)o1 ZINC000947216196 687132472 /nfs/dbraw/zinc/13/24/72/687132472.db2.gz DXEXOBOQFVKLAQ-OLZOCXBDSA-N 1 2 341.415 2.220 20 30 EEEDLO CCc1cnc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C[C@H]2C)o1 ZINC000947216196 687132475 /nfs/dbraw/zinc/13/24/75/687132475.db2.gz DXEXOBOQFVKLAQ-OLZOCXBDSA-N 1 2 341.415 2.220 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nc(C3CC3)nn2C)C1 ZINC001029805223 687133274 /nfs/dbraw/zinc/13/32/74/687133274.db2.gz ZWWDIIGOQNZDAY-AWEZNQCLSA-N 1 2 345.491 2.185 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2nc(C3CC3)nn2C)C1 ZINC001029805223 687133277 /nfs/dbraw/zinc/13/32/77/687133277.db2.gz ZWWDIIGOQNZDAY-AWEZNQCLSA-N 1 2 345.491 2.185 20 30 EEEDLO CCc1nnc(C[N@@H+]2CCC[C@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)s1 ZINC001040125368 687251497 /nfs/dbraw/zinc/25/14/97/687251497.db2.gz DKOZBNHGONPZRV-DYVFJYSZSA-N 1 2 347.488 2.075 20 30 EEEDLO CCc1nnc(C[N@H+]2CCC[C@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)s1 ZINC001040125368 687251501 /nfs/dbraw/zinc/25/15/01/687251501.db2.gz DKOZBNHGONPZRV-DYVFJYSZSA-N 1 2 347.488 2.075 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CCCO2)C1 ZINC001027314117 687390225 /nfs/dbraw/zinc/39/02/25/687390225.db2.gz QIVPSOXDWQTZQA-KGLIPLIRSA-N 1 2 345.281 2.387 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CCCO2)C1 ZINC001027314117 687390231 /nfs/dbraw/zinc/39/02/31/687390231.db2.gz QIVPSOXDWQTZQA-KGLIPLIRSA-N 1 2 345.281 2.387 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCOC2)C1 ZINC001027325139 687454327 /nfs/dbraw/zinc/45/43/27/687454327.db2.gz RAZSWGMUUZYVKD-ZIAGYGMSSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCOC2)C1 ZINC001027325139 687454332 /nfs/dbraw/zinc/45/43/32/687454332.db2.gz RAZSWGMUUZYVKD-ZIAGYGMSSA-N 1 2 345.281 2.244 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001059661391 687813971 /nfs/dbraw/zinc/81/39/71/687813971.db2.gz TWSHOXZAWCCUFN-HZPDHXFCSA-N 1 2 346.475 2.401 20 30 EEEDLO Cc1ncc(C(=O)N2C[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C[C@@H]2C)[nH]1 ZINC000988371097 690563797 /nfs/dbraw/zinc/56/37/97/690563797.db2.gz VVOAAGPSYUTHHZ-ZBEGNZNMSA-N 1 2 341.390 2.122 20 30 EEEDLO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1)c1cncs1 ZINC001027774820 694436319 /nfs/dbraw/zinc/43/63/19/694436319.db2.gz KYORAZYOPIGGAL-MRXNPFEDSA-N 1 2 325.437 2.389 20 30 EEEDLO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1)c1cncs1 ZINC001027774820 694436322 /nfs/dbraw/zinc/43/63/22/694436322.db2.gz KYORAZYOPIGGAL-MRXNPFEDSA-N 1 2 325.437 2.389 20 30 EEEDLO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3cccc(C#N)n3)C2)C1 ZINC000897895299 691814725 /nfs/dbraw/zinc/81/47/25/691814725.db2.gz WHEVPVDJYLMTDZ-UHFFFAOYSA-N 1 2 328.416 2.396 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)C1=COCCC1 ZINC001027786997 694502895 /nfs/dbraw/zinc/50/28/95/694502895.db2.gz CRSBBTYSTXTVPO-CYBMUJFWSA-N 1 2 329.238 2.170 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)C1=COCCC1 ZINC001027786997 694502901 /nfs/dbraw/zinc/50/29/01/694502901.db2.gz CRSBBTYSTXTVPO-CYBMUJFWSA-N 1 2 329.238 2.170 20 30 EEEDLO CC#CC[N@@H+]1C[C@H](NC(=O)c2cnc([C@H]3CCCO3)s2)C(C)(C)C1 ZINC000977252369 692407489 /nfs/dbraw/zinc/40/74/89/692407489.db2.gz OSQGUYZBYWUKOD-HIFRSBDPSA-N 1 2 347.484 2.458 20 30 EEEDLO CC#CC[N@H+]1C[C@H](NC(=O)c2cnc([C@H]3CCCO3)s2)C(C)(C)C1 ZINC000977252369 692407493 /nfs/dbraw/zinc/40/74/93/692407493.db2.gz OSQGUYZBYWUKOD-HIFRSBDPSA-N 1 2 347.484 2.458 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)Cc3nonc3C)C2)cc1 ZINC001027518020 692574847 /nfs/dbraw/zinc/57/48/47/692574847.db2.gz NOZUGOULASKXMA-KRWDZBQOSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3nonc3C)C2)cc1 ZINC001027518020 692574850 /nfs/dbraw/zinc/57/48/50/692574850.db2.gz NOZUGOULASKXMA-KRWDZBQOSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)Cc3ncccn3)C2)cc1 ZINC001027517875 692590657 /nfs/dbraw/zinc/59/06/57/692590657.db2.gz KMXBLTCDFHRMEN-SFHVURJKSA-N 1 2 334.423 2.195 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3ncccn3)C2)cc1 ZINC001027517875 692590659 /nfs/dbraw/zinc/59/06/59/692590659.db2.gz KMXBLTCDFHRMEN-SFHVURJKSA-N 1 2 334.423 2.195 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@]23CCC[C@@H]2[N@H+](Cc2nccs2)CC3)c1 ZINC000990162030 692707130 /nfs/dbraw/zinc/70/71/30/692707130.db2.gz NRQVZOYCXDQVMB-WMLDXEAASA-N 1 2 341.440 2.270 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](Cc2nccs2)CC3)c1 ZINC000990162030 692707131 /nfs/dbraw/zinc/70/71/31/692707131.db2.gz NRQVZOYCXDQVMB-WMLDXEAASA-N 1 2 341.440 2.270 20 30 EEEDLO Cc1n[nH]c(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)c1C ZINC000977921752 693129172 /nfs/dbraw/zinc/12/91/72/693129172.db2.gz PQAWZHHMWVMKTR-NNZMDNLPSA-N 1 2 349.438 2.006 20 30 EEEDLO Cc1n[nH]c(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)c1C ZINC000977921752 693129174 /nfs/dbraw/zinc/12/91/74/693129174.db2.gz PQAWZHHMWVMKTR-NNZMDNLPSA-N 1 2 349.438 2.006 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001027585000 693285232 /nfs/dbraw/zinc/28/52/32/693285232.db2.gz WYYLIAPTIVTWLB-ZACQAIPSSA-N 1 2 347.459 2.305 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001027585000 693285235 /nfs/dbraw/zinc/28/52/35/693285235.db2.gz WYYLIAPTIVTWLB-ZACQAIPSSA-N 1 2 347.459 2.305 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC000990748649 693562659 /nfs/dbraw/zinc/56/26/59/693562659.db2.gz OCSZICZDYCBOEK-AWEZNQCLSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2csc(CC)n2)C1 ZINC001485540022 1191828487 /nfs/dbraw/zinc/82/84/87/1191828487.db2.gz QCUOHLFGVBNNSZ-LLVKDONJSA-N 1 2 327.881 2.437 20 30 EEEDLO C=CCCCCCC[NH+]1CC2(C1)CN(Cc1cnoc1)C(=O)CO2 ZINC001272702339 1191966912 /nfs/dbraw/zinc/96/69/12/1191966912.db2.gz 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C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C)Cc1c(C)n[nH]c1C ZINC001481017514 1179503490 /nfs/dbraw/zinc/50/34/90/1179503490.db2.gz GHPJDUAMJJRUSZ-LLVKDONJSA-N 1 2 326.872 2.396 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C)Cc1c(C)n[nH]c1C ZINC001481017514 1179503491 /nfs/dbraw/zinc/50/34/91/1179503491.db2.gz GHPJDUAMJJRUSZ-LLVKDONJSA-N 1 2 326.872 2.396 20 30 EEEDLO C=CCNC(=O)[C@@H]1CC12CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001269386293 1184224716 /nfs/dbraw/zinc/22/47/16/1184224716.db2.gz IMAZEOIRCFSVBM-AWEZNQCLSA-N 1 2 338.411 2.107 20 30 EEEDLO O=C(C#Cc1cccnc1)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001270343208 1185032989 /nfs/dbraw/zinc/03/29/89/1185032989.db2.gz MHHBPXIBYAZAFG-UHFFFAOYSA-N 1 2 337.345 2.062 20 30 EEEDLO O=C(C#Cc1cccnc1)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001270343208 1185032991 /nfs/dbraw/zinc/03/29/91/1185032991.db2.gz MHHBPXIBYAZAFG-UHFFFAOYSA-N 1 2 337.345 2.062 20 30 EEEDLO N#CCCCC(=O)NC12CC(C(=O)Nc3cccc4[nH+]ccn43)(C1)C2 ZINC001271767841 1186470950 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/nfs/dbraw/zinc/63/01/53/1191630153.db2.gz SJPXYECWNIIYLY-CQSZACIVSA-N 1 2 345.281 2.244 20 30 EEEDLO C#CCN1C[C@@]2(F)C[N@@H+](CC[C@H](C)c3ccc(C)o3)C[C@@]2(F)C1=O ZINC001273124233 1194408005 /nfs/dbraw/zinc/40/80/05/1194408005.db2.gz IVBIIEVOEBZVGV-DOPJRALCSA-N 1 2 336.382 2.289 20 30 EEEDLO C#CCN1C[C@@]2(F)C[N@H+](CC[C@H](C)c3ccc(C)o3)C[C@@]2(F)C1=O ZINC001273124233 1194408008 /nfs/dbraw/zinc/40/80/08/1194408008.db2.gz IVBIIEVOEBZVGV-DOPJRALCSA-N 1 2 336.382 2.289 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001033371810 1194499730 /nfs/dbraw/zinc/49/97/30/1194499730.db2.gz AZFBXFLSWPZLRG-UONOGXRCSA-N 1 2 349.853 2.249 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001033371810 1194499732 /nfs/dbraw/zinc/49/97/32/1194499732.db2.gz AZFBXFLSWPZLRG-UONOGXRCSA-N 1 2 349.853 2.249 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(N(C)C)cc2F)C1 ZINC001014716385 1224221453 /nfs/dbraw/zinc/22/14/53/1224221453.db2.gz 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ZINC001033625621 1194969912 /nfs/dbraw/zinc/96/99/12/1194969912.db2.gz WHCMSYKTBBCJDE-TZMCWYRMSA-N 1 2 336.867 2.364 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001033877323 1195415046 /nfs/dbraw/zinc/41/50/46/1195415046.db2.gz ISINDJKMOHXACM-HOCLYGCPSA-N 1 2 336.867 2.121 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001033877323 1195415048 /nfs/dbraw/zinc/41/50/48/1195415048.db2.gz ISINDJKMOHXACM-HOCLYGCPSA-N 1 2 336.867 2.121 20 30 EEEDLO C=C(Cl)CN1CC[C@@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033879603 1195435583 /nfs/dbraw/zinc/43/55/83/1195435583.db2.gz RCEYAQOBXULGNQ-CYBMUJFWSA-N 1 2 340.855 2.025 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc3ccsc3[nH]2)C1 ZINC001108109850 1195651688 /nfs/dbraw/zinc/65/16/88/1195651688.db2.gz FMKXQDPMOUAOLY-KRWDZBQOSA-N 1 2 331.441 2.073 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc3ccsc3[nH]2)C1 ZINC001108109850 1195651693 /nfs/dbraw/zinc/65/16/93/1195651693.db2.gz 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N#Cc1ccccc1C[N@@H+]1CCCC[C@H](NC(=O)c2csnn2)C1 ZINC001034333306 1196102779 /nfs/dbraw/zinc/10/27/79/1196102779.db2.gz FXANFHIVLCNQIL-HNNXBMFYSA-N 1 2 341.440 2.194 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCCC[N@@H+](Cc3coc(C)n3)C2)c1 ZINC001034392568 1196159459 /nfs/dbraw/zinc/15/94/59/1196159459.db2.gz MFNWRQFHHRVETA-KRWDZBQOSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCCC[N@H+](Cc3coc(C)n3)C2)c1 ZINC001034392568 1196159461 /nfs/dbraw/zinc/15/94/61/1196159461.db2.gz MFNWRQFHHRVETA-KRWDZBQOSA-N 1 2 338.411 2.144 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001034394144 1196182982 /nfs/dbraw/zinc/18/29/82/1196182982.db2.gz JRBRIKWCVMDLPQ-CYBMUJFWSA-N 1 2 339.871 2.370 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001034394144 1196182986 /nfs/dbraw/zinc/18/29/86/1196182986.db2.gz JRBRIKWCVMDLPQ-CYBMUJFWSA-N 1 2 339.871 2.370 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc3ncn(C)c3n2)C1 ZINC001034398295 1196189566 /nfs/dbraw/zinc/18/95/66/1196189566.db2.gz NQZZASWQIUBMCS-CYBMUJFWSA-N 1 2 347.850 2.305 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3ncn(C)c3n2)C1 ZINC001034398295 1196189568 /nfs/dbraw/zinc/18/95/68/1196189568.db2.gz NQZZASWQIUBMCS-CYBMUJFWSA-N 1 2 347.850 2.305 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001061762928 1196426271 /nfs/dbraw/zinc/42/62/71/1196426271.db2.gz DBDHADGKYYWFNU-OAHLLOKOSA-N 1 2 325.416 2.029 20 30 EEEDLO C#CCOCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)[C@@H]1C ZINC001090231605 1196494876 /nfs/dbraw/zinc/49/48/76/1196494876.db2.gz RJIHWOYJLXDHRL-HOTGVXAUSA-N 1 2 344.459 2.350 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2CO[C@@H](C)C2)CC1 ZINC001005611732 1196542710 /nfs/dbraw/zinc/54/27/10/1196542710.db2.gz NQOPABWQRRYCTH-STQMWFEESA-N 1 2 345.281 2.243 20 30 EEEDLO C#CC[C@H](CCOC)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000863780616 1197867335 /nfs/dbraw/zinc/86/73/35/1197867335.db2.gz FEYKYEVPDMUMRE-SJORKVTESA-N 1 2 325.412 2.476 20 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N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC3(F)F)C2)c1 ZINC001014893259 1224504465 /nfs/dbraw/zinc/50/44/65/1224504465.db2.gz WLAQNEAIRPRWNG-KBPBESRZSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC3(F)F)C2)c1 ZINC001014893259 1224504472 /nfs/dbraw/zinc/50/44/72/1224504472.db2.gz WLAQNEAIRPRWNG-KBPBESRZSA-N 1 2 337.345 2.433 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ncoc2C(C)C)C1 ZINC001132029389 1199231588 /nfs/dbraw/zinc/23/15/88/1199231588.db2.gz LLXABYORQMPBEU-CVEARBPZSA-N 1 2 347.459 2.307 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001132029389 1199231591 /nfs/dbraw/zinc/23/15/91/1199231591.db2.gz LLXABYORQMPBEU-CVEARBPZSA-N 1 2 347.459 2.307 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC001018287376 1224569445 /nfs/dbraw/zinc/56/94/45/1224569445.db2.gz ZHWSUQLBHOEUGT-JYYAWHABSA-N 1 2 330.378 2.377 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC001018287376 1224569451 /nfs/dbraw/zinc/56/94/51/1224569451.db2.gz ZHWSUQLBHOEUGT-JYYAWHABSA-N 1 2 330.378 2.377 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(Cc2ccccc2)o1 ZINC001132663562 1199913718 /nfs/dbraw/zinc/91/37/18/1199913718.db2.gz YEMDIYNTMNTQEJ-OAHLLOKOSA-N 1 2 342.443 2.469 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)OCCc2ccccc21 ZINC001018337991 1224622863 /nfs/dbraw/zinc/62/28/63/1224622863.db2.gz PURNPZJDAQWPPE-LVCYWYKZSA-N 1 2 338.451 2.173 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)OCCc2ccccc21 ZINC001018337991 1224622864 /nfs/dbraw/zinc/62/28/64/1224622864.db2.gz PURNPZJDAQWPPE-LVCYWYKZSA-N 1 2 338.451 2.173 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2CCC[C@]2(C(=O)OC)C1 ZINC000880327755 1201460101 /nfs/dbraw/zinc/46/01/01/1201460101.db2.gz MKAAGHFQUFBBLL-FCEWJHQRSA-N 1 2 342.395 2.047 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2CCC[C@]2(C(=O)OC)C1 ZINC000880327755 1201460104 /nfs/dbraw/zinc/46/01/04/1201460104.db2.gz MKAAGHFQUFBBLL-FCEWJHQRSA-N 1 2 342.395 2.047 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](CC)C(=O)Nc2ccc(C)cc2)nn1 ZINC000881330911 1201678607 /nfs/dbraw/zinc/67/86/07/1201678607.db2.gz ZNLKRZNHXJNNSH-KRWDZBQOSA-N 1 2 325.416 2.289 20 30 EEEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C#N)cn3)CC2)cc1 ZINC000881616931 1201727163 /nfs/dbraw/zinc/72/71/63/1201727163.db2.gz YKYHYEIRRJWHRH-UHFFFAOYSA-N 1 2 334.423 2.474 20 30 EEEDLO N#Cc1cnc(NCC[NH+]2CCSCC2)c(Br)c1 ZINC000881977331 1201796429 /nfs/dbraw/zinc/79/64/29/1201796429.db2.gz UCSNJRCGSDXUSL-UHFFFAOYSA-N 1 2 327.251 2.176 20 30 EEEDLO C#CCSCCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883443713 1202065913 /nfs/dbraw/zinc/06/59/13/1202065913.db2.gz DSFYSALPJBFIAS-INIZCTEOSA-N 1 2 328.441 2.290 20 30 EEEDLO CCCCCCC[C@@H](C)C(=O)N1C[C@@H](C(N)=O)[C@H](c2cn(C)c[nH+]2)C1 ZINC001273982679 1202196526 /nfs/dbraw/zinc/19/65/26/1202196526.db2.gz QMKOMFZKPYGTAM-BZUAXINKSA-N 1 2 348.491 2.444 20 30 EEEDLO Cc1cnc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(C#N)c2)C3)s1 ZINC001095337294 1202494634 /nfs/dbraw/zinc/49/46/34/1202494634.db2.gz OMBSVBAQMDAIAC-ILXRZTDVSA-N 1 2 341.440 2.187 20 30 EEEDLO Cc1cnc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(C#N)c2)C3)s1 ZINC001095337294 1202494635 /nfs/dbraw/zinc/49/46/35/1202494635.db2.gz OMBSVBAQMDAIAC-ILXRZTDVSA-N 1 2 341.440 2.187 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@H+](Cc3n[nH]c4c3CCC4)CC2)C1=O ZINC001274569550 1205083003 /nfs/dbraw/zinc/08/30/03/1205083003.db2.gz FQOCGYUJZIGETO-LJQANCHMSA-N 1 2 328.460 2.289 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@@H+](Cc3n[nH]c4c3CCC4)CC2)C1=O ZINC001274569550 1205083004 /nfs/dbraw/zinc/08/30/04/1205083004.db2.gz FQOCGYUJZIGETO-LJQANCHMSA-N 1 2 328.460 2.289 20 30 EEEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)o3)C2)OCC1=O ZINC001274573630 1205084145 /nfs/dbraw/zinc/08/41/45/1205084145.db2.gz VMJQXBFEHIQITH-HNNXBMFYSA-N 1 2 344.333 2.288 20 30 EEEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3ccc(C(F)(F)F)o3)C2)OCC1=O ZINC001274573630 1205084148 /nfs/dbraw/zinc/08/41/48/1205084148.db2.gz VMJQXBFEHIQITH-HNNXBMFYSA-N 1 2 344.333 2.288 20 30 EEEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3cccc(O)c3Cl)C2)OCC1=O ZINC001274724150 1205143905 /nfs/dbraw/zinc/14/39/05/1205143905.db2.gz RBAPXZDGSCUBMM-QGZVFWFLSA-N 1 2 336.819 2.035 20 30 EEEDLO C=CCN1C[C@]2(CC[N@H+](Cc3cccc(O)c3Cl)C2)OCC1=O ZINC001274724150 1205143907 /nfs/dbraw/zinc/14/39/07/1205143907.db2.gz RBAPXZDGSCUBMM-QGZVFWFLSA-N 1 2 336.819 2.035 20 30 EEEDLO C#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cn[nH]c2)ccc1C ZINC001275456554 1205370321 /nfs/dbraw/zinc/37/03/21/1205370321.db2.gz DLNZNHXQUQSEHU-KDURUIRLSA-N 1 2 334.423 2.188 20 30 EEEDLO C#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cn[nH]c2)ccc1C ZINC001275456554 1205370322 /nfs/dbraw/zinc/37/03/22/1205370322.db2.gz DLNZNHXQUQSEHU-KDURUIRLSA-N 1 2 334.423 2.188 20 30 EEEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2cccnc2F)C3)cc1C#N ZINC001275650749 1205465108 /nfs/dbraw/zinc/46/51/08/1205465108.db2.gz VOUQFWGTLAPACT-QAPCUYQASA-N 1 2 339.418 2.137 20 30 EEEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cccnc2F)C3)cc1C#N ZINC001275650749 1205465110 /nfs/dbraw/zinc/46/51/10/1205465110.db2.gz VOUQFWGTLAPACT-QAPCUYQASA-N 1 2 339.418 2.137 20 30 EEEDLO Cc1nc(C)c(C[NH+]2CC3(CCN3Cc3cc(C#N)n(C)c3)C2)s1 ZINC001276267159 1205861931 /nfs/dbraw/zinc/86/19/31/1205861931.db2.gz OXHOWLIUHGJMMS-UHFFFAOYSA-N 1 2 341.484 2.430 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NCCCN(C)c3ccc(C#N)nc3)ccn12 ZINC001095641702 1205900467 /nfs/dbraw/zinc/90/04/67/1205900467.db2.gz SDYJPBASUHHKNB-UHFFFAOYSA-N 1 2 348.410 2.166 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)C ZINC001110900808 1206092169 /nfs/dbraw/zinc/09/21/69/1206092169.db2.gz RPZPRVYYNUZPDC-KURKYZTESA-N 1 2 347.503 2.064 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)C ZINC001110900808 1206092172 /nfs/dbraw/zinc/09/21/72/1206092172.db2.gz RPZPRVYYNUZPDC-KURKYZTESA-N 1 2 347.503 2.064 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110959254 1206445230 /nfs/dbraw/zinc/44/52/30/1206445230.db2.gz WNHSJUUYKOGEMY-JTDSTZFVSA-N 1 2 344.459 2.099 20 30 EEEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000929257009 1206460211 /nfs/dbraw/zinc/46/02/11/1206460211.db2.gz LSIHRPSSKIZKJD-LBPRGKRZSA-N 1 2 336.823 2.396 20 30 EEEDLO Cc1cc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000929363445 1206468418 /nfs/dbraw/zinc/46/84/18/1206468418.db2.gz QXIKRVJJIYIJCP-UHFFFAOYSA-N 1 2 338.411 2.132 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCC ZINC001110989848 1206553748 /nfs/dbraw/zinc/55/37/48/1206553748.db2.gz YBTRBIPORLDVRB-OAFZBRQQSA-N 1 2 335.492 2.227 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCC ZINC001110989848 1206553749 /nfs/dbraw/zinc/55/37/49/1206553749.db2.gz YBTRBIPORLDVRB-OAFZBRQQSA-N 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C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cn3c(n2)CCCC3)C1 ZINC000966526539 1219820806 /nfs/dbraw/zinc/82/08/06/1219820806.db2.gz OSOSTTCYDBKZAF-JSGCOSHPSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cn3c(n2)CCCC3)C1 ZINC000966526539 1219820809 /nfs/dbraw/zinc/82/08/09/1219820809.db2.gz OSOSTTCYDBKZAF-JSGCOSHPSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn(CC(F)F)n2)C1 ZINC000966888281 1220096632 /nfs/dbraw/zinc/09/66/32/1220096632.db2.gz PLOBBQJLUSQRHW-GXFFZTMASA-N 1 2 346.809 2.341 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn(CC(F)F)n2)C1 ZINC000966888281 1220096637 /nfs/dbraw/zinc/09/66/37/1220096637.db2.gz PLOBBQJLUSQRHW-GXFFZTMASA-N 1 2 346.809 2.341 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC000967581292 1220647228 /nfs/dbraw/zinc/64/72/28/1220647228.db2.gz NTKHIIPCDGTDIW-QFBILLFUSA-N 1 2 346.475 2.325 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H](N(C)C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000967669823 1220722967 /nfs/dbraw/zinc/72/29/67/1220722967.db2.gz SCSAISPQLGWUMP-INIZCTEOSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3cc(OC)no3)CC[C@H]2C)C1 ZINC000968272051 1221168179 /nfs/dbraw/zinc/16/81/79/1221168179.db2.gz DPTYTBFUKYJTCE-HIFRSBDPSA-N 1 2 333.432 2.366 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3cc(OC)no3)CC[C@H]2C)C1 ZINC000968272051 1221168182 /nfs/dbraw/zinc/16/81/82/1221168182.db2.gz DPTYTBFUKYJTCE-HIFRSBDPSA-N 1 2 333.432 2.366 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2nnn(C(C)C)c2C)C1 ZINC000968485215 1221342469 /nfs/dbraw/zinc/34/24/69/1221342469.db2.gz YEBGJYXILWAXPX-FZMZJTMJSA-N 1 2 339.871 2.360 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2nnn(C(C)C)c2C)C1 ZINC000968485215 1221342474 /nfs/dbraw/zinc/34/24/74/1221342474.db2.gz YEBGJYXILWAXPX-FZMZJTMJSA-N 1 2 339.871 2.360 20 30 EEEDLO Cn1cccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001006775125 1221935785 /nfs/dbraw/zinc/93/57/85/1221935785.db2.gz UUJIMFIWDNUNLK-INIZCTEOSA-N 1 2 340.402 2.430 20 30 EEEDLO Cn1cccc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001006775125 1221935790 /nfs/dbraw/zinc/93/57/90/1221935790.db2.gz UUJIMFIWDNUNLK-INIZCTEOSA-N 1 2 340.402 2.430 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001007043907 1222072201 /nfs/dbraw/zinc/07/22/01/1222072201.db2.gz KLONDZQAVDZVGJ-CYBMUJFWSA-N 1 2 339.424 2.214 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001007043907 1222072205 /nfs/dbraw/zinc/07/22/05/1222072205.db2.gz KLONDZQAVDZVGJ-CYBMUJFWSA-N 1 2 339.424 2.214 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccncc3Cl)C2)c1 ZINC001007056876 1222077190 /nfs/dbraw/zinc/07/71/90/1222077190.db2.gz LYSASNZEWAZREX-AWEZNQCLSA-N 1 2 343.818 2.329 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+](Cc3ccncc3Cl)C2)c1 ZINC001007056876 1222077195 /nfs/dbraw/zinc/07/71/95/1222077195.db2.gz LYSASNZEWAZREX-AWEZNQCLSA-N 1 2 343.818 2.329 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CCCCO3)C2)c1 ZINC001007119628 1222101075 /nfs/dbraw/zinc/10/10/75/1222101075.db2.gz GSHZCRKTTIPTBV-FUHWJXTLSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)[C@H]3CCCCO3)C2)c1 ZINC001007119628 1222101079 /nfs/dbraw/zinc/10/10/79/1222101079.db2.gz GSHZCRKTTIPTBV-FUHWJXTLSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccncc3Cl)C2)[nH]1 ZINC001007137850 1222107749 /nfs/dbraw/zinc/10/77/49/1222107749.db2.gz BMIFFPLCLFTVRD-CQSZACIVSA-N 1 2 343.818 2.329 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccncc3Cl)C2)[nH]1 ZINC001007137850 1222107752 /nfs/dbraw/zinc/10/77/52/1222107752.db2.gz BMIFFPLCLFTVRD-CQSZACIVSA-N 1 2 343.818 2.329 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001007303886 1222161407 /nfs/dbraw/zinc/16/14/07/1222161407.db2.gz KNZNDWIUBCSFPF-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001007303886 1222161409 /nfs/dbraw/zinc/16/14/09/1222161409.db2.gz KNZNDWIUBCSFPF-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)C2)CC1 ZINC001008654913 1222981800 /nfs/dbraw/zinc/98/18/00/1222981800.db2.gz BSMSQGVGNLENSN-INIZCTEOSA-N 1 2 344.459 2.052 20 30 EEEDLO Cc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001010229214 1223616562 /nfs/dbraw/zinc/61/65/62/1223616562.db2.gz SPAAIKJMSZMGDR-ZDUSSCGKSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001010229214 1223616565 /nfs/dbraw/zinc/61/65/65/1223616565.db2.gz SPAAIKJMSZMGDR-ZDUSSCGKSA-N 1 2 326.425 2.328 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)c1cocn1 ZINC001010376599 1223688119 /nfs/dbraw/zinc/68/81/19/1223688119.db2.gz VMWHXBDNNLGNFU-OAHLLOKOSA-N 1 2 329.787 2.184 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)c1cocn1 ZINC001010376599 1223688122 /nfs/dbraw/zinc/68/81/22/1223688122.db2.gz VMWHXBDNNLGNFU-OAHLLOKOSA-N 1 2 329.787 2.184 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cscn3)C2)c(F)c1 ZINC001010377028 1223688873 /nfs/dbraw/zinc/68/88/73/1223688873.db2.gz YRCORGPEEFIJOF-CYBMUJFWSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cscn3)C2)c(F)c1 ZINC001010377028 1223688875 /nfs/dbraw/zinc/68/88/75/1223688875.db2.gz YRCORGPEEFIJOF-CYBMUJFWSA-N 1 2 330.388 2.158 20 30 EEEDLO Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC001010421309 1223712837 /nfs/dbraw/zinc/71/28/37/1223712837.db2.gz OQVGZDVMTZESRR-QGZVFWFLSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC001010421309 1223712840 /nfs/dbraw/zinc/71/28/40/1223712840.db2.gz OQVGZDVMTZESRR-QGZVFWFLSA-N 1 2 338.386 2.405 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CCCCO3)C2)c1 ZINC001010530392 1223767884 /nfs/dbraw/zinc/76/78/84/1223767884.db2.gz QNJPBMNQTWQILR-DLBZAZTESA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)C[C@H]3CCCCO3)C2)c1 ZINC001010530392 1223767887 /nfs/dbraw/zinc/76/78/87/1223767887.db2.gz QNJPBMNQTWQILR-DLBZAZTESA-N 1 2 345.418 2.347 20 30 EEEDLO CCc1onc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001016228729 1226229158 /nfs/dbraw/zinc/22/91/58/1226229158.db2.gz HXYPSRGKUWYCEL-LBPRGKRZSA-N 1 2 344.440 2.483 20 30 EEEDLO CCc1onc(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001016228729 1226229162 /nfs/dbraw/zinc/22/91/62/1226229162.db2.gz HXYPSRGKUWYCEL-LBPRGKRZSA-N 1 2 344.440 2.483 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(NC(C)=O)c(F)c2)C1 ZINC001016420117 1226459434 /nfs/dbraw/zinc/45/94/34/1226459434.db2.gz KVOURLDQQWEORF-ZDUSSCGKSA-N 1 2 339.798 2.341 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(NC(C)=O)c(F)c2)C1 ZINC001016420117 1226459440 /nfs/dbraw/zinc/45/94/40/1226459440.db2.gz KVOURLDQQWEORF-ZDUSSCGKSA-N 1 2 339.798 2.341 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@]2(NC(=O)Cc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001014515392 1226707550 /nfs/dbraw/zinc/70/75/50/1226707550.db2.gz UEKLPBJLDUUDHG-KFKAGJAMSA-N 1 2 344.459 2.194 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1c(F)cncc1F ZINC001014578414 1226800555 /nfs/dbraw/zinc/80/05/55/1226800555.db2.gz GVJLVNZAAHWWTF-OAHLLOKOSA-N 1 2 341.361 2.216 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1c(F)cncc1F ZINC001014578414 1226800561 /nfs/dbraw/zinc/80/05/61/1226800561.db2.gz GVJLVNZAAHWWTF-OAHLLOKOSA-N 1 2 341.361 2.216 20 30 EEEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1Nc1cccc(F)c1C#N ZINC001067083962 1226859838 /nfs/dbraw/zinc/85/98/38/1226859838.db2.gz JEAQTVNXBVKTHH-BLLLJJGKSA-N 1 2 341.390 2.312 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC23CC[NH+](Cc2nc(CC)no2)CC3)C1 ZINC001016815889 1226900097 /nfs/dbraw/zinc/90/00/97/1226900097.db2.gz DVEWVQWMYVGACB-AWEZNQCLSA-N 1 2 344.459 2.459 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COC[C@@H]1c1ccccc1 ZINC001017676825 1227627231 /nfs/dbraw/zinc/62/72/31/1227627231.db2.gz OFTWJFVRKUTHRK-WCIQWLHISA-N 1 2 338.451 2.115 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COC[C@@H]1c1ccccc1 ZINC001017676825 1227627236 /nfs/dbraw/zinc/62/72/36/1227627236.db2.gz OFTWJFVRKUTHRK-WCIQWLHISA-N 1 2 338.451 2.115 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1([C@@H]2CCCCO2)CCC1 ZINC001017730626 1227683548 /nfs/dbraw/zinc/68/35/48/1227683548.db2.gz QWDXIIIIMKRATA-KSZLIROESA-N 1 2 330.472 2.424 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1([C@@H]2CCCCO2)CCC1 ZINC001017730626 1227683551 /nfs/dbraw/zinc/68/35/51/1227683551.db2.gz QWDXIIIIMKRATA-KSZLIROESA-N 1 2 330.472 2.424 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nn(C)cc3Cl)C2)cc1 ZINC001019224103 1228892430 /nfs/dbraw/zinc/89/24/30/1228892430.db2.gz BJFLIXRTBNDIEU-HNNXBMFYSA-N 1 2 342.830 2.059 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnn(C3CCC3)c2)cc1 ZINC001038254262 1229705585 /nfs/dbraw/zinc/70/55/85/1229705585.db2.gz INPYDBYIEPDPTQ-IBGZPJMESA-N 1 2 349.438 2.484 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnn(C3CCC3)c2)cc1 ZINC001038254262 1229705588 /nfs/dbraw/zinc/70/55/88/1229705588.db2.gz INPYDBYIEPDPTQ-IBGZPJMESA-N 1 2 349.438 2.484 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ncc(F)cc2F)c1 ZINC001038412045 1229797562 /nfs/dbraw/zinc/79/75/62/1229797562.db2.gz RNHVCQUBOSCCQH-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ncc(F)cc2F)c1 ZINC001038412045 1229797565 /nfs/dbraw/zinc/79/75/65/1229797565.db2.gz RNHVCQUBOSCCQH-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO CC(C)c1n[nH]cc1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038450258 1229833477 /nfs/dbraw/zinc/83/34/77/1229833477.db2.gz UQKJRXLARLMANH-MRXNPFEDSA-N 1 2 337.427 2.409 20 30 EEEDLO CC(C)c1n[nH]cc1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038450258 1229833480 /nfs/dbraw/zinc/83/34/80/1229833480.db2.gz UQKJRXLARLMANH-MRXNPFEDSA-N 1 2 337.427 2.409 20 30 EEEDLO Cn1ncc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)c1C1CC1 ZINC001039083443 1230289105 /nfs/dbraw/zinc/28/91/05/1230289105.db2.gz XGEQYVPEQRDVPI-KRWDZBQOSA-N 1 2 349.438 2.173 20 30 EEEDLO Cn1ncc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)c1C1CC1 ZINC001039083443 1230289109 /nfs/dbraw/zinc/28/91/09/1230289109.db2.gz XGEQYVPEQRDVPI-KRWDZBQOSA-N 1 2 349.438 2.173 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@H]1[C@@H]1CC[N@H+](Cc2csnn2)C1 ZINC001039200178 1230426944 /nfs/dbraw/zinc/42/69/44/1230426944.db2.gz HRDMYTDFXKTZPH-WBVHZDCISA-N 1 2 344.484 2.155 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@H]1[C@@H]1CC[N@@H+](Cc2csnn2)C1 ZINC001039200178 1230426947 /nfs/dbraw/zinc/42/69/47/1230426947.db2.gz HRDMYTDFXKTZPH-WBVHZDCISA-N 1 2 344.484 2.155 20 30 EEEDLO C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001039290288 1230511592 /nfs/dbraw/zinc/51/15/92/1230511592.db2.gz ZHOIUMXQFFYEBD-AYHJJNSGSA-N 1 2 349.438 2.220 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nc[nH]c1C(F)(F)F ZINC001039385728 1230570704 /nfs/dbraw/zinc/57/07/04/1230570704.db2.gz JRBQONIAQKVPJE-NEPJUHHUSA-N 1 2 340.349 2.131 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nc[nH]c1C(F)(F)F ZINC001039385728 1230570709 /nfs/dbraw/zinc/57/07/09/1230570709.db2.gz JRBQONIAQKVPJE-NEPJUHHUSA-N 1 2 340.349 2.131 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2ncnn21 ZINC001039401405 1230584379 /nfs/dbraw/zinc/58/43/79/1230584379.db2.gz AJFDVCMIDZOGOB-KGLIPLIRSA-N 1 2 345.834 2.161 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2ncnn21 ZINC001039401405 1230584380 /nfs/dbraw/zinc/58/43/80/1230584380.db2.gz AJFDVCMIDZOGOB-KGLIPLIRSA-N 1 2 345.834 2.161 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H](CC)C(N)=O ZINC001039609073 1230712042 /nfs/dbraw/zinc/71/20/42/1230712042.db2.gz KWMLEKBGDLZULI-HZSPNIEDSA-N 1 2 341.883 2.094 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H](CC)C(N)=O ZINC001039609073 1230712044 /nfs/dbraw/zinc/71/20/44/1230712044.db2.gz KWMLEKBGDLZULI-HZSPNIEDSA-N 1 2 341.883 2.094 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@](C)(CNc3cc[nH+]c(C)n3)C2)c1 ZINC001040351370 1231183007 /nfs/dbraw/zinc/18/30/07/1231183007.db2.gz WHFPCRGNQRLCPW-JLTOFOAXSA-N 1 2 349.438 2.372 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC001041934641 1231775156 /nfs/dbraw/zinc/77/51/56/1231775156.db2.gz GMPVIBMNWJPAIX-GXTWGEPZSA-N 1 2 338.249 2.460 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC001041934641 1231775158 /nfs/dbraw/zinc/77/51/58/1231775158.db2.gz GMPVIBMNWJPAIX-GXTWGEPZSA-N 1 2 338.249 2.460 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3nnc(CC)n3C)[C@@H]2C1 ZINC001042185306 1231943790 /nfs/dbraw/zinc/94/37/90/1231943790.db2.gz RNHLQBKWJJWGBR-LSDHHAIUSA-N 1 2 345.491 2.013 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3nnc(CC)n3C)[C@@H]2C1 ZINC001042185306 1231943791 /nfs/dbraw/zinc/94/37/91/1231943791.db2.gz RNHLQBKWJJWGBR-LSDHHAIUSA-N 1 2 345.491 2.013 20 30 EEEDLO C[C@@H]1CCCC[C@@H]1OCC[NH+]1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001042614188 1232121123 /nfs/dbraw/zinc/12/11/23/1232121123.db2.gz FKFMXOYCBKUYLJ-KDOFPFPSSA-N 1 2 344.459 2.238 20 30 EEEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001042629154 1232124999 /nfs/dbraw/zinc/12/49/99/1232124999.db2.gz TVIRLSLCBKRBHS-UHFFFAOYSA-N 1 2 333.395 2.324 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCCCN(CC)c1[nH+]cnc2c1cnn2C ZINC001095949996 1232521512 /nfs/dbraw/zinc/52/15/12/1232521512.db2.gz PTCUCSCJJYJGEV-UHFFFAOYSA-N 1 2 344.463 2.298 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](Cc3ccc(C(=O)NC)cc3)C2)C1 ZINC001043792731 1232581799 /nfs/dbraw/zinc/58/17/99/1232581799.db2.gz JUBSJVJYPKQHIU-UHFFFAOYSA-N 1 2 341.455 2.045 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[NH2+][C@@H](C)c1nc(COC)no1 ZINC001045151261 1233539172 /nfs/dbraw/zinc/53/91/72/1233539172.db2.gz HFIZWWUDWNKAHC-STQMWFEESA-N 1 2 336.436 2.070 20 30 EEEDLO N#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001045966371 1234245894 /nfs/dbraw/zinc/24/58/94/1234245894.db2.gz UYCNZIUYROLDRU-KXBFYZLASA-N 1 2 341.459 2.058 20 30 EEEDLO C[C@]1(NC(=O)c2cncs2)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046174527 1234515612 /nfs/dbraw/zinc/51/56/12/1234515612.db2.gz WGMONZJZUOEZRI-SFHVURJKSA-N 1 2 325.437 2.389 20 30 EEEDLO C[C@]1(NC(=O)c2cncs2)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046174527 1234515613 /nfs/dbraw/zinc/51/56/13/1234515613.db2.gz WGMONZJZUOEZRI-SFHVURJKSA-N 1 2 325.437 2.389 20 30 EEEDLO Cc1ocnc1C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046175989 1234517615 /nfs/dbraw/zinc/51/76/15/1234517615.db2.gz BKKJRJHCJIZEDV-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ocnc1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046175989 1234517618 /nfs/dbraw/zinc/51/76/18/1234517618.db2.gz BKKJRJHCJIZEDV-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2c3c(nn2C)CCCC3)C1 ZINC001046354747 1234698955 /nfs/dbraw/zinc/69/89/55/1234698955.db2.gz GKSVTDKSZSEMRJ-KRWDZBQOSA-N 1 2 336.867 2.246 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2c3c(nn2C)CCCC3)C1 ZINC001046354747 1234698957 /nfs/dbraw/zinc/69/89/57/1234698957.db2.gz GKSVTDKSZSEMRJ-KRWDZBQOSA-N 1 2 336.867 2.246 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 ZINC001046419228 1234781740 /nfs/dbraw/zinc/78/17/40/1234781740.db2.gz VAOHRMOQFHVSOZ-RHSMWYFYSA-N 1 2 336.867 2.087 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3cc(C)nc3C2)C1 ZINC001046419228 1234781741 /nfs/dbraw/zinc/78/17/41/1234781741.db2.gz VAOHRMOQFHVSOZ-RHSMWYFYSA-N 1 2 336.867 2.087 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001046443465 1234811126 /nfs/dbraw/zinc/81/11/26/1234811126.db2.gz ZYKHDLKUFFNDNN-KRWDZBQOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001046443465 1234811128 /nfs/dbraw/zinc/81/11/28/1234811128.db2.gz ZYKHDLKUFFNDNN-KRWDZBQOSA-N 1 2 345.834 2.214 20 30 EEEDLO C[C@]1(NC(=O)c2cnco2)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046522163 1234901940 /nfs/dbraw/zinc/90/19/40/1234901940.db2.gz GOMJPGLKQCNJMC-KRWDZBQOSA-N 1 2 328.347 2.080 20 30 EEEDLO C[C@]1(NC(=O)c2cnco2)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046522163 1234901944 /nfs/dbraw/zinc/90/19/44/1234901944.db2.gz GOMJPGLKQCNJMC-KRWDZBQOSA-N 1 2 328.347 2.080 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001046928425 1235317475 /nfs/dbraw/zinc/31/74/75/1235317475.db2.gz IVBKYVCKFLHCOD-LBPRGKRZSA-N 1 2 345.777 2.227 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc[nH]c(=O)c2)C1 ZINC001046928425 1235317478 /nfs/dbraw/zinc/31/74/78/1235317478.db2.gz IVBKYVCKFLHCOD-LBPRGKRZSA-N 1 2 345.777 2.227 20 30 EEEDLO Cc1nc(N2CCC[C@@H](NC(=O)CC#Cc3ccccc3)C2)cc[nH+]1 ZINC001096181989 1235915609 /nfs/dbraw/zinc/91/56/09/1235915609.db2.gz IGTPTZWOIGIBEW-GOSISDBHSA-N 1 2 334.423 2.312 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001054975647 1249501216 /nfs/dbraw/zinc/50/12/16/1249501216.db2.gz FKTRFHPVMYKVEI-GXTWGEPZSA-N 1 2 332.448 2.171 20 30 EEEDLO CC(C)(C)CC(=O)NCC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC001096265819 1236864064 /nfs/dbraw/zinc/86/40/64/1236864064.db2.gz SNDBDBDZXMKEHG-UHFFFAOYSA-N 1 2 346.450 2.372 20 30 EEEDLO C#CC[N@@H+](CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000796631138 1249610432 /nfs/dbraw/zinc/61/04/32/1249610432.db2.gz DDHYELYVFKXJGR-UHFFFAOYSA-N 1 2 336.391 2.167 20 30 EEEDLO C#CC[N@H+](CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000796631138 1249610446 /nfs/dbraw/zinc/61/04/46/1249610446.db2.gz DDHYELYVFKXJGR-UHFFFAOYSA-N 1 2 336.391 2.167 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001056456120 1239389807 /nfs/dbraw/zinc/38/98/07/1239389807.db2.gz MIRZYUPSJHWAIH-SJORKVTESA-N 1 2 344.459 2.221 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]21 ZINC001056624832 1239451340 /nfs/dbraw/zinc/45/13/40/1239451340.db2.gz IONWXVCXXBSYAP-HLLBOEOZSA-N 1 2 344.459 2.004 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001056624832 1239451341 /nfs/dbraw/zinc/45/13/41/1239451341.db2.gz IONWXVCXXBSYAP-HLLBOEOZSA-N 1 2 344.459 2.004 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)CCC1 ZINC001096451510 1239579155 /nfs/dbraw/zinc/57/91/55/1239579155.db2.gz UVUPGBIGJBUOGT-INIZCTEOSA-N 1 2 326.444 2.290 20 30 EEEDLO C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3c4cn[nH]c4CC[C@@H]3C)CC2)CC1 ZINC001000227354 1240082263 /nfs/dbraw/zinc/08/22/63/1240082263.db2.gz ZUKVVVGKSRHJDC-KSSFIOAISA-N 1 2 340.471 2.070 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2nccs2)c1 ZINC001049400653 1240791957 /nfs/dbraw/zinc/79/19/57/1240791957.db2.gz IMBXAUGYSHSNCO-GJZGRUSLSA-N 1 2 341.440 2.222 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2nccs2)c1 ZINC001049400653 1240791963 /nfs/dbraw/zinc/79/19/63/1240791963.db2.gz IMBXAUGYSHSNCO-GJZGRUSLSA-N 1 2 341.440 2.222 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)o1 ZINC001049426482 1240879350 /nfs/dbraw/zinc/87/93/50/1240879350.db2.gz WDFRPUSFWAYGJN-HOTGVXAUSA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)o1 ZINC001049426482 1240879358 /nfs/dbraw/zinc/87/93/58/1240879358.db2.gz WDFRPUSFWAYGJN-HOTGVXAUSA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C#CC2CC2)oc1C ZINC001049472740 1241053816 /nfs/dbraw/zinc/05/38/16/1241053816.db2.gz VIIXHQPDFFWTBR-DLBZAZTESA-N 1 2 327.428 2.270 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C#CC2CC2)oc1C ZINC001049472740 1241053823 /nfs/dbraw/zinc/05/38/23/1241053823.db2.gz VIIXHQPDFFWTBR-DLBZAZTESA-N 1 2 327.428 2.270 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(=O)Nc1ccccc1 ZINC001049566614 1241443540 /nfs/dbraw/zinc/44/35/40/1241443540.db2.gz DJZGDZSEPTYBDG-CVEARBPZSA-N 1 2 347.846 2.443 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(=O)Nc1ccccc1 ZINC001049566614 1241443554 /nfs/dbraw/zinc/44/35/54/1241443554.db2.gz DJZGDZSEPTYBDG-CVEARBPZSA-N 1 2 347.846 2.443 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2ncc(CC)o2)CC1 ZINC001001158152 1241743341 /nfs/dbraw/zinc/74/33/41/1241743341.db2.gz AIXYBMGCBNRFAG-SJORKVTESA-N 1 2 345.443 2.076 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2ncc(CC)o2)CC1 ZINC001001158152 1241743352 /nfs/dbraw/zinc/74/33/52/1241743352.db2.gz AIXYBMGCBNRFAG-SJORKVTESA-N 1 2 345.443 2.076 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cnn3cc(C)cnc23)CC1 ZINC001001214450 1241837789 /nfs/dbraw/zinc/83/77/89/1241837789.db2.gz QNSMULRZZQZYQZ-UHFFFAOYSA-N 1 2 345.834 2.152 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cnn3cc(C)cnc23)CC1 ZINC001001214450 1241837795 /nfs/dbraw/zinc/83/77/95/1241837795.db2.gz QNSMULRZZQZYQZ-UHFFFAOYSA-N 1 2 345.834 2.152 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3Cc2cnn(CC)n2)C1 ZINC001049713025 1241961286 /nfs/dbraw/zinc/96/12/86/1241961286.db2.gz WMAFMUCWXCARLK-SJORKVTESA-N 1 2 343.475 2.220 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cnn(CC)n2)C1 ZINC001049713025 1241961290 /nfs/dbraw/zinc/96/12/90/1241961290.db2.gz WMAFMUCWXCARLK-SJORKVTESA-N 1 2 343.475 2.220 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1(C)C ZINC001073340362 1242359455 /nfs/dbraw/zinc/35/94/55/1242359455.db2.gz ODBAHYPEWJUYAJ-AWEZNQCLSA-N 1 2 346.475 2.397 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001073417614 1242452653 /nfs/dbraw/zinc/45/26/53/1242452653.db2.gz VACDXVGDXRNHNI-HNNXBMFYSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001073417614 1242452661 /nfs/dbraw/zinc/45/26/61/1242452661.db2.gz VACDXVGDXRNHNI-HNNXBMFYSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001050259494 1243200698 /nfs/dbraw/zinc/20/06/98/1243200698.db2.gz KJSJZSAEOSJIHY-JKSUJKDBSA-N 1 2 346.475 2.246 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H]2C[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)n1 ZINC001097105266 1243704984 /nfs/dbraw/zinc/70/49/84/1243704984.db2.gz SLGFKHIPNVQDIM-BPUTZDHNSA-N 1 2 338.415 2.169 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3ncncc3C1)C2 ZINC001097201631 1243816565 /nfs/dbraw/zinc/81/65/65/1243816565.db2.gz GGYWCOSFXIBCMK-WNOSKKOXSA-N 1 2 346.862 2.056 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3ncncc3C1)C2 ZINC001097201631 1243816571 /nfs/dbraw/zinc/81/65/71/1243816571.db2.gz GGYWCOSFXIBCMK-WNOSKKOXSA-N 1 2 346.862 2.056 20 30 EEEDLO C=C(Cl)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001097320449 1243987985 /nfs/dbraw/zinc/98/79/85/1243987985.db2.gz ZAWIAAQGNLGAEK-KFWWJZLASA-N 1 2 336.867 2.401 20 30 EEEDLO Cc1nsc(N[C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)c1C#N ZINC001057631421 1244490850 /nfs/dbraw/zinc/49/08/50/1244490850.db2.gz QOXIZEJIKMGIMN-LBPRGKRZSA-N 1 2 344.444 2.082 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001057676209 1244657735 /nfs/dbraw/zinc/65/77/35/1244657735.db2.gz KJDMHZLXFGGUDT-SFHVURJKSA-N 1 2 334.423 2.412 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCc2ccccc21 ZINC001050980460 1244776664 /nfs/dbraw/zinc/77/66/64/1244776664.db2.gz VJZZXOOZIUIWJC-MJGOQNOKSA-N 1 2 328.456 2.500 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCc2ccccc21 ZINC001050980460 1244776672 /nfs/dbraw/zinc/77/66/72/1244776672.db2.gz VJZZXOOZIUIWJC-MJGOQNOKSA-N 1 2 328.456 2.500 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050991623 1244796849 /nfs/dbraw/zinc/79/68/49/1244796849.db2.gz BZOAMTTULHPUFI-CABCVRRESA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050991623 1244796859 /nfs/dbraw/zinc/79/68/59/1244796859.db2.gz BZOAMTTULHPUFI-CABCVRRESA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001051061799 1244928580 /nfs/dbraw/zinc/92/85/80/1244928580.db2.gz VQCBLSVTSXAQLW-DLBZAZTESA-N 1 2 346.475 2.373 20 30 EEEDLO C=CCOc1cccnc1C(=O)NC[C@@H]1COCC[N@H+]1CCC(C)C ZINC001051202377 1245383490 /nfs/dbraw/zinc/38/34/90/1245383490.db2.gz HQNPXJVVJIFMEV-MRXNPFEDSA-N 1 2 347.459 2.123 20 30 EEEDLO C=CCOc1cccnc1C(=O)NC[C@@H]1COCC[N@@H+]1CCC(C)C ZINC001051202377 1245383494 /nfs/dbraw/zinc/38/34/94/1245383494.db2.gz HQNPXJVVJIFMEV-MRXNPFEDSA-N 1 2 347.459 2.123 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001052859397 1245399301 /nfs/dbraw/zinc/39/93/01/1245399301.db2.gz LHXIGPPGKFQONS-GOEBONIOSA-N 1 2 346.475 2.104 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001051228665 1245415275 /nfs/dbraw/zinc/41/52/75/1245415275.db2.gz MOIVPOODNGOWMX-NVXWUHKLSA-N 1 2 334.847 2.373 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001051228665 1245415279 /nfs/dbraw/zinc/41/52/79/1245415279.db2.gz MOIVPOODNGOWMX-NVXWUHKLSA-N 1 2 334.847 2.373 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001052900930 1245459667 /nfs/dbraw/zinc/45/96/67/1245459667.db2.gz CLPJNHOBVDNYPT-ZFWWWQNUSA-N 1 2 340.427 2.353 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CC)C[C@@]2(C)C1 ZINC001101337570 1245682146 /nfs/dbraw/zinc/68/21/46/1245682146.db2.gz DVMKYLUCLIPOHJ-FCEWJHQRSA-N 1 2 345.491 2.181 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CC)C[C@@]2(C)C1 ZINC001101337570 1245682149 /nfs/dbraw/zinc/68/21/49/1245682149.db2.gz DVMKYLUCLIPOHJ-FCEWJHQRSA-N 1 2 345.491 2.181 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3cnn(CC)n3)C[C@@]2(C)C1 ZINC001101337494 1245682180 /nfs/dbraw/zinc/68/21/80/1245682180.db2.gz BLARSCVJZQTCNV-MDZRGWNJSA-N 1 2 345.491 2.181 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3cnn(CC)n3)C[C@@]2(C)C1 ZINC001101337494 1245682187 /nfs/dbraw/zinc/68/21/87/1245682187.db2.gz BLARSCVJZQTCNV-MDZRGWNJSA-N 1 2 345.491 2.181 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001051461304 1245749269 /nfs/dbraw/zinc/74/92/69/1245749269.db2.gz ZSQZYLBKAMGXFX-IAGOWNOFSA-N 1 2 346.475 2.373 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001053109628 1245931622 /nfs/dbraw/zinc/93/16/22/1245931622.db2.gz SHHAGVYYTKDPKB-HIFRSBDPSA-N 1 2 346.475 2.074 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)C(C)(F)F)c1nccn12 ZINC001101651502 1246084067 /nfs/dbraw/zinc/08/40/67/1246084067.db2.gz UZKCNJRHFNIPBG-GFCCVEGCSA-N 1 2 338.402 2.322 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnn(C(C)(C)C)c1C)CCO2 ZINC001053277150 1246130501 /nfs/dbraw/zinc/13/05/01/1246130501.db2.gz NHUIDHHTMKDJHT-UHFFFAOYSA-N 1 2 346.475 2.049 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccnc(C3CC3)c1)CCO2 ZINC001053328601 1246189041 /nfs/dbraw/zinc/18/90/41/1246189041.db2.gz BLOFSNGFCSJFFT-UHFFFAOYSA-N 1 2 327.428 2.062 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccc3[nH]ccc31)CCO2 ZINC001053443577 1246336610 /nfs/dbraw/zinc/33/66/10/1246336610.db2.gz ASZFITIYLFMWAD-UHFFFAOYSA-N 1 2 325.412 2.271 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1oc(CC(C)C)nc1C)CCO2 ZINC001053463810 1246364143 /nfs/dbraw/zinc/36/41/43/1246364143.db2.gz PNFKAZAWPMNESP-UHFFFAOYSA-N 1 2 347.459 2.284 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC3(C)C)C2)CC1 ZINC001052016784 1246381172 /nfs/dbraw/zinc/38/11/72/1246381172.db2.gz ZSXCYCGILAOKSR-HUUCEWRRSA-N 1 2 325.884 2.004 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cncc(Cl)c3C)C2)CC1 ZINC001052038248 1246406984 /nfs/dbraw/zinc/40/69/84/1246406984.db2.gz ZWYLKTDBTICCET-HNNXBMFYSA-N 1 2 348.878 2.062 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccccc3CCC)C2)CC1 ZINC001052049224 1246420237 /nfs/dbraw/zinc/42/02/37/1246420237.db2.gz JKCOHMLTUVIAFV-LJQANCHMSA-N 1 2 339.483 2.104 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(Cc3cncs3)CC2)C1 ZINC001052063379 1246434397 /nfs/dbraw/zinc/43/43/97/1246434397.db2.gz UPBDKHBLEJRSHN-HNNXBMFYSA-N 1 2 348.516 2.074 20 30 EEEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCC3(C)C)C2)CC1 ZINC001052067857 1246440246 /nfs/dbraw/zinc/44/02/46/1246440246.db2.gz PVDICGWXOOCBTK-ROUUACIJSA-N 1 2 331.504 2.055 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)CC(C)(F)F)C2)CC1 ZINC001052077511 1246453999 /nfs/dbraw/zinc/45/39/99/1246453999.db2.gz SYDIQDDRORBMJM-ZDUSSCGKSA-N 1 2 335.826 2.003 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)C(C)(F)F)C2)CC1 ZINC001052081444 1246458315 /nfs/dbraw/zinc/45/83/15/1246458315.db2.gz BLBLTXPVUOITDQ-HUUCEWRRSA-N 1 2 329.435 2.072 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)C(C)(F)F)C2)CC1 ZINC001052083158 1246460986 /nfs/dbraw/zinc/46/09/86/1246460986.db2.gz KRMZYWFRYNRIJT-KGLIPLIRSA-N 1 2 349.853 2.249 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ncsc3C3CC3)C2)CC1 ZINC001052084434 1246463114 /nfs/dbraw/zinc/46/31/14/1246463114.db2.gz VXSXLWWHPOVEPR-HNNXBMFYSA-N 1 2 346.500 2.039 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccccc3OCC)C2)CC1 ZINC001052113079 1246495244 /nfs/dbraw/zinc/49/52/44/1246495244.db2.gz LVZFVRDTDPGSIK-KRWDZBQOSA-N 1 2 343.471 2.103 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)CC(C3CC3)C3CC3)C2)CC1 ZINC001052121442 1246507197 /nfs/dbraw/zinc/50/71/97/1246507197.db2.gz BBKWXMWQUVCKKR-LJQANCHMSA-N 1 2 343.515 2.055 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(Cl)cn1C)O2 ZINC001053625792 1246553744 /nfs/dbraw/zinc/55/37/44/1246553744.db2.gz FIGXJHIJTCJXAB-CQSZACIVSA-N 1 2 337.851 2.218 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc3ccsc3c1)O2 ZINC001053636222 1246569265 /nfs/dbraw/zinc/56/92/65/1246569265.db2.gz ZHBYEEBPWAOUCE-AWEZNQCLSA-N 1 2 343.452 2.446 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1Cc3ccccc31)O2 ZINC001053655865 1246598593 /nfs/dbraw/zinc/59/85/93/1246598593.db2.gz SCQDLLRRFZFQTI-SJLPKXTDSA-N 1 2 326.440 2.252 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn([C@@H](C)CC)c1C)O2 ZINC001053686941 1246650116 /nfs/dbraw/zinc/65/01/16/1246650116.db2.gz DCEZEDQPXHJQGJ-HOCLYGCPSA-N 1 2 346.475 2.312 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1n[nH]c3ccccc31)O2 ZINC001053694965 1246665886 /nfs/dbraw/zinc/66/58/86/1246665886.db2.gz SSTAEMQBZIVZMM-CQSZACIVSA-N 1 2 340.427 2.102 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1[nH]nc3ccccc31)O2 ZINC001053695176 1246667496 /nfs/dbraw/zinc/66/74/96/1246667496.db2.gz ZHZGDLZOJPONPN-AWEZNQCLSA-N 1 2 340.427 2.102 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1conc1C1CCCC1)CO2 ZINC001053827136 1246855063 /nfs/dbraw/zinc/85/50/63/1246855063.db2.gz SERQAEYGOJMQBW-HNNXBMFYSA-N 1 2 345.443 2.481 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(-n3cccc3)cc1)CO2 ZINC001053864377 1246932682 /nfs/dbraw/zinc/93/26/82/1246932682.db2.gz YWJPALVGUJCWNH-GOSISDBHSA-N 1 2 349.434 2.074 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3cc(F)ccc31)CO2 ZINC001053872538 1246947644 /nfs/dbraw/zinc/94/76/44/1246947644.db2.gz DFTHJNPRKJFKAA-FUHWJXTLSA-N 1 2 344.430 2.391 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3cc(F)ccc31)CO2 ZINC001053872537 1246948141 /nfs/dbraw/zinc/94/81/41/1246948141.db2.gz DFTHJNPRKJFKAA-AEFFLSMTSA-N 1 2 344.430 2.391 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C13CC4CC(CC(C4)C1)C3)CO2 ZINC001053989489 1247116630 /nfs/dbraw/zinc/11/66/30/1247116630.db2.gz HEWHYPRDLHXHIG-AZRLCKCBSA-N 1 2 342.483 2.186 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)c1ccc(F)cc1F)CO2 ZINC001054013788 1247148359 /nfs/dbraw/zinc/14/83/59/1247148359.db2.gz BKHOBCQLFJFCLX-HIFRSBDPSA-N 1 2 348.393 2.051 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C13CC(C(C)(C)C)(C1)C3)CO2 ZINC001054021228 1247161247 /nfs/dbraw/zinc/16/12/47/1247161247.db2.gz HCBVVTVTGQFUJN-MNNVXMFVSA-N 1 2 330.472 2.186 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1coc(C2CC2)n1 ZINC001054055703 1247251791 /nfs/dbraw/zinc/25/17/91/1247251791.db2.gz PXFDIPTYEFNBIN-QGZVFWFLSA-N 1 2 335.407 2.342 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1coc(C2CC2)n1 ZINC001054055703 1247251803 /nfs/dbraw/zinc/25/18/03/1247251803.db2.gz PXFDIPTYEFNBIN-QGZVFWFLSA-N 1 2 335.407 2.342 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1nc(C)oc1C ZINC001054057881 1247260512 /nfs/dbraw/zinc/26/05/12/1247260512.db2.gz TZDAEQCSGCHBSZ-SFHVURJKSA-N 1 2 337.423 2.471 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1nc(C)oc1C ZINC001054057881 1247260524 /nfs/dbraw/zinc/26/05/24/1247260524.db2.gz TZDAEQCSGCHBSZ-SFHVURJKSA-N 1 2 337.423 2.471 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(CCC)on1 ZINC001054058356 1247264612 /nfs/dbraw/zinc/26/46/12/1247264612.db2.gz JARCJYOJUKUNKA-QGZVFWFLSA-N 1 2 337.423 2.417 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(CCC)on1 ZINC001054058356 1247264620 /nfs/dbraw/zinc/26/46/20/1247264620.db2.gz JARCJYOJUKUNKA-QGZVFWFLSA-N 1 2 337.423 2.417 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cn2ccccc2n1 ZINC001054059648 1247269305 /nfs/dbraw/zinc/26/93/05/1247269305.db2.gz UWDRSVGEHIHWGO-SFHVURJKSA-N 1 2 344.418 2.124 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cn2ccccc2n1 ZINC001054059648 1247269315 /nfs/dbraw/zinc/26/93/15/1247269315.db2.gz UWDRSVGEHIHWGO-SFHVURJKSA-N 1 2 344.418 2.124 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnn(C)c1C1CC1 ZINC001054059989 1247271567 /nfs/dbraw/zinc/27/15/67/1247271567.db2.gz DCIHICTZGZGHHM-GOSISDBHSA-N 1 2 348.450 2.087 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnn(C)c1C1CC1 ZINC001054059989 1247271575 /nfs/dbraw/zinc/27/15/75/1247271575.db2.gz DCIHICTZGZGHHM-GOSISDBHSA-N 1 2 348.450 2.087 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cncnc1CC ZINC001054060473 1247272459 /nfs/dbraw/zinc/27/24/59/1247272459.db2.gz OFUWGNWCSTVCKU-SFHVURJKSA-N 1 2 348.450 2.219 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cncnc1CC ZINC001054060473 1247272466 /nfs/dbraw/zinc/27/24/66/1247272466.db2.gz OFUWGNWCSTVCKU-SFHVURJKSA-N 1 2 348.450 2.219 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3nn(C)c(C)c3Cl)cc2C1 ZINC001054284079 1248005209 /nfs/dbraw/zinc/00/52/09/1248005209.db2.gz DAEQNRLENHBSDJ-UHFFFAOYSA-N 1 2 342.830 2.261 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3nn(C)c(C)c3Cl)cc2C1 ZINC001054284079 1248005220 /nfs/dbraw/zinc/00/52/20/1248005220.db2.gz DAEQNRLENHBSDJ-UHFFFAOYSA-N 1 2 342.830 2.261 20 30 EEEDLO N#Cc1nccnc1N1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC001137283060 1248083990 /nfs/dbraw/zinc/08/39/90/1248083990.db2.gz SLXXWFVPRDENNH-UHFFFAOYSA-N 1 2 330.395 2.219 20 30 EEEDLO Cc1cccn2cc(CC(=O)NC[C@H](C)Nc3ccc(C#N)nc3)[nH+]c12 ZINC001097942121 1248501402 /nfs/dbraw/zinc/50/14/02/1248501402.db2.gz ORWWTVLNRYPQFB-AWEZNQCLSA-N 1 2 348.410 2.069 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCN(c3nc(C)[nH+]c(C)c3C)C2)nc1 ZINC001058179068 1248589981 /nfs/dbraw/zinc/58/99/81/1248589981.db2.gz NWHXWMJOUKPMDB-QGZVFWFLSA-N 1 2 349.438 2.177 20 30 EEEDLO C[C@H]1[C@H](Nc2cccc(F)c2C#N)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001068885982 1251852247 /nfs/dbraw/zinc/85/22/47/1251852247.db2.gz BVYGVBMYRIPTPL-SMDDNHRTSA-N 1 2 327.363 2.064 20 30 EEEDLO C[C@H]1C[C@H](Nc2ncccc2C#N)CN1C(=O)c1cccc2[nH+]ccn21 ZINC001069173824 1252404319 /nfs/dbraw/zinc/40/43/19/1252404319.db2.gz WWYNNCQONUMSOG-ZFWWWQNUSA-N 1 2 346.394 2.316 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CCCC(C)(C)C2)C[C@H]1NCC#N ZINC001070722142 1253736449 /nfs/dbraw/zinc/73/64/49/1253736449.db2.gz WQMQWRDEORXGEQ-BZUAXINKSA-N 1 2 343.475 2.044 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@]2(C1)CN(C(=O)CCC)C[C@@H](C)O2 ZINC001071123589 1253970268 /nfs/dbraw/zinc/97/02/68/1253970268.db2.gz AXTINFONJXCSMZ-HIFRSBDPSA-N 1 2 345.281 2.387 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCC)C[C@@H](C)O2 ZINC001071123589 1253970276 /nfs/dbraw/zinc/97/02/76/1253970276.db2.gz AXTINFONJXCSMZ-HIFRSBDPSA-N 1 2 345.281 2.387 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001071261846 1254094351 /nfs/dbraw/zinc/09/43/51/1254094351.db2.gz RNHSHRDAVBQHAY-KDOFPFPSSA-N 1 2 332.448 2.052 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)c2cncnc2)C[N@@H+]1Cc1ccccc1C#N ZINC001071447417 1254198891 /nfs/dbraw/zinc/19/88/91/1254198891.db2.gz MPXJPNLAOBPAPG-KSSFIOAISA-N 1 2 335.411 2.131 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)c2cncnc2)C[N@H+]1Cc1ccccc1C#N ZINC001071447417 1254198900 /nfs/dbraw/zinc/19/89/00/1254198900.db2.gz MPXJPNLAOBPAPG-KSSFIOAISA-N 1 2 335.411 2.131 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nc3cccnc3s2)CC[C@@H]1C ZINC001071571298 1254350760 /nfs/dbraw/zinc/35/07/60/1254350760.db2.gz CRUUSOZTXLRIRR-STQMWFEESA-N 1 2 328.441 2.297 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2nc3cccnc3s2)CC[C@@H]1C ZINC001071571298 1254350772 /nfs/dbraw/zinc/35/07/72/1254350772.db2.gz CRUUSOZTXLRIRR-STQMWFEESA-N 1 2 328.441 2.297 20 30 EEEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001072005640 1254867775 /nfs/dbraw/zinc/86/77/75/1254867775.db2.gz OGRAFFIMOIROIC-GJZGRUSLSA-N 1 2 347.846 2.429 20 30 EEEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=C)Cl)C1 ZINC001072005640 1254867785 /nfs/dbraw/zinc/86/77/85/1254867785.db2.gz OGRAFFIMOIROIC-GJZGRUSLSA-N 1 2 347.846 2.429 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nncn1C)C2 ZINC001072944919 1255509477 /nfs/dbraw/zinc/50/94/77/1255509477.db2.gz OKDHPYPDMQQMIN-RHSMWYFYSA-N 1 2 331.464 2.013 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nncn1C)C2 ZINC001072944919 1255509483 /nfs/dbraw/zinc/50/94/83/1255509483.db2.gz OKDHPYPDMQQMIN-RHSMWYFYSA-N 1 2 331.464 2.013 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001073170142 1255743775 /nfs/dbraw/zinc/74/37/75/1255743775.db2.gz VTLWMZUAHKGDIZ-MRXNPFEDSA-N 1 2 346.475 2.373 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001074098517 1256707743 /nfs/dbraw/zinc/70/77/43/1256707743.db2.gz HNERHQSFDNYJHQ-JKSUJKDBSA-N 1 2 346.475 2.229 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001074150551 1256752195 /nfs/dbraw/zinc/75/21/95/1256752195.db2.gz YTLCNDABGWAMGW-HOCLYGCPSA-N 1 2 344.459 2.074 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nccc4occc43)C[C@H]21 ZINC001074302171 1256890310 /nfs/dbraw/zinc/89/03/10/1256890310.db2.gz MHXFIJJSALINFB-NVXWUHKLSA-N 1 2 341.411 2.319 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3nccc4occc43)C[C@H]21 ZINC001074302171 1256890322 /nfs/dbraw/zinc/89/03/22/1256890322.db2.gz MHXFIJJSALINFB-NVXWUHKLSA-N 1 2 341.411 2.319 20 30 EEEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3conc3C3CC3)C[C@@H]21 ZINC001074337864 1256917922 /nfs/dbraw/zinc/91/79/22/1256917922.db2.gz DQFUIWIPUYAOBN-HOTGVXAUSA-N 1 2 331.416 2.043 20 30 EEEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3conc3C3CC3)C[C@@H]21 ZINC001074337864 1256917927 /nfs/dbraw/zinc/91/79/27/1256917927.db2.gz DQFUIWIPUYAOBN-HOTGVXAUSA-N 1 2 331.416 2.043 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(F)c(OC)c3)C[C@@H]21 ZINC001074342779 1256922325 /nfs/dbraw/zinc/92/23/25/1256922325.db2.gz BERJBPZRAQFPEF-IRXDYDNUSA-N 1 2 348.418 2.326 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(F)c(OC)c3)C[C@@H]21 ZINC001074342779 1256922328 /nfs/dbraw/zinc/92/23/28/1256922328.db2.gz BERJBPZRAQFPEF-IRXDYDNUSA-N 1 2 348.418 2.326 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc4cnccc43)C[C@H]21 ZINC001074405468 1256992583 /nfs/dbraw/zinc/99/25/83/1256992583.db2.gz ROWPOTFDTXIBKR-WOJBJXKFSA-N 1 2 349.434 2.173 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc4cnccc43)C[C@H]21 ZINC001074405468 1256992592 /nfs/dbraw/zinc/99/25/92/1256992592.db2.gz ROWPOTFDTXIBKR-WOJBJXKFSA-N 1 2 349.434 2.173 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001075016811 1257265123 /nfs/dbraw/zinc/26/51/23/1257265123.db2.gz HBZWQENPPAOJTC-GJZGRUSLSA-N 1 2 332.448 2.194 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001075062784 1257312975 /nfs/dbraw/zinc/31/29/75/1257312975.db2.gz NRAFXFWLWRFSGG-LSDHHAIUSA-N 1 2 340.427 2.410 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nocc1C ZINC001098286504 1257640237 /nfs/dbraw/zinc/64/02/37/1257640237.db2.gz IIUXVWXPFPRCPJ-GGPKGHCWSA-N 1 2 349.434 2.429 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nocc1C ZINC001098286504 1257640242 /nfs/dbraw/zinc/64/02/42/1257640242.db2.gz IIUXVWXPFPRCPJ-GGPKGHCWSA-N 1 2 349.434 2.429 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@@H](n2cc(C[NH2+]C/C=C\Cl)nn2)C1 ZINC001098661963 1257747120 /nfs/dbraw/zinc/74/71/20/1257747120.db2.gz VUNYLAHSZBMBPK-CXOKCQFOSA-N 1 2 349.866 2.087 20 30 EEEDLO CC#CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+]C/C=C\Cl)nn2)C1 ZINC001098703659 1257771692 /nfs/dbraw/zinc/77/16/92/1257771692.db2.gz YASXYEPQOPAGAM-CXOKCQFOSA-N 1 2 349.866 2.087 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)c(C)s2)C[C@@H]1O ZINC001099786310 1258363416 /nfs/dbraw/zinc/36/34/16/1258363416.db2.gz NBZMVWGNDWYSEJ-CVEARBPZSA-N 1 2 349.500 2.005 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[N@H+](Cc2nc(C)c(C)s2)C[C@@H]1O ZINC001099786310 1258363427 /nfs/dbraw/zinc/36/34/27/1258363427.db2.gz NBZMVWGNDWYSEJ-CVEARBPZSA-N 1 2 349.500 2.005 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCN1c1cccc(F)c1C#N ZINC001100855657 1259350374 /nfs/dbraw/zinc/35/03/74/1259350374.db2.gz JTGCAKXSZHNNLE-ZDUSSCGKSA-N 1 2 341.390 2.057 20 30 EEEDLO C=CCC1(C(=O)NC[C@@H]2CCN(c3cc[nH+]c(C)n3)C2)CCOCC1 ZINC001100999410 1259542311 /nfs/dbraw/zinc/54/23/11/1259542311.db2.gz WKKWQMGMWPRFST-INIZCTEOSA-N 1 2 344.459 2.100 20 30 EEEDLO Cc1nc(NC2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CC2)ccc1C#N ZINC001110361494 1278597564 /nfs/dbraw/zinc/59/75/64/1278597564.db2.gz OCSGYDHUUIWNGO-ZDUSSCGKSA-N 1 2 338.415 2.170 20 30 EEEDLO C=CCCC1(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nc(COC)no3)C2)CC1 ZINC001185487115 1278669424 /nfs/dbraw/zinc/66/94/24/1278669424.db2.gz UIDFUIBIDYCCTE-ZIAGYGMSSA-N 1 2 348.447 2.214 20 30 EEEDLO C=C/C(C)=C\CC(=O)N1CCC[C@@H](n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001185983560 1278872848 /nfs/dbraw/zinc/87/28/48/1278872848.db2.gz HRMFRNMURQQCCN-YZIPPPLESA-N 1 2 341.459 2.077 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@](C)(CC)CCC)C2)nn1 ZINC001186018993 1278910967 /nfs/dbraw/zinc/91/09/67/1278910967.db2.gz LZDLBJAKNFQZRI-IEBWSBKVSA-N 1 2 345.491 2.381 20 30 EEEDLO C=CCCC1(C(=O)N2CCC[C@@H](n3cc(C[NH2+]CCF)nn3)C2)CC1 ZINC001185999538 1278920080 /nfs/dbraw/zinc/92/00/80/1278920080.db2.gz JGFAMXLDCDILSK-MRXNPFEDSA-N 1 2 349.454 2.247 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)OCC(C)C)C1 ZINC001189142929 1280151941 /nfs/dbraw/zinc/15/19/41/1280151941.db2.gz XAYWEUSNXSBSPA-KGLIPLIRSA-N 1 2 347.297 2.489 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)OCC(C)C)C1 ZINC001189142929 1280151946 /nfs/dbraw/zinc/15/19/46/1280151946.db2.gz XAYWEUSNXSBSPA-KGLIPLIRSA-N 1 2 347.297 2.489 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2OC)C1 ZINC001189279596 1280212590 /nfs/dbraw/zinc/21/25/90/1280212590.db2.gz KLRDVTUWXLPKTF-OAHLLOKOSA-N 1 2 345.443 2.133 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2OC)C1 ZINC001189279596 1280212595 /nfs/dbraw/zinc/21/25/95/1280212595.db2.gz KLRDVTUWXLPKTF-OAHLLOKOSA-N 1 2 345.443 2.133 20 30 EEEDLO C=CCOCC(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(CCC)n2)C1 ZINC001189381557 1280273176 /nfs/dbraw/zinc/27/31/76/1280273176.db2.gz YVXWKFBHJPKWSE-OAHLLOKOSA-N 1 2 337.489 2.331 20 30 EEEDLO C=CCOCC(=O)N1CC[C@@H]([N@H+](C)Cc2csc(CCC)n2)C1 ZINC001189381557 1280273182 /nfs/dbraw/zinc/27/31/82/1280273182.db2.gz YVXWKFBHJPKWSE-OAHLLOKOSA-N 1 2 337.489 2.331 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(C)c2)C1 ZINC001189910529 1280547599 /nfs/dbraw/zinc/54/75/99/1280547599.db2.gz PWYFCLKMLPBQBZ-SFHVURJKSA-N 1 2 341.455 2.270 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(C)c2)C1 ZINC001189910529 1280547604 /nfs/dbraw/zinc/54/76/04/1280547604.db2.gz PWYFCLKMLPBQBZ-SFHVURJKSA-N 1 2 341.455 2.270 20 30 EEEDLO C=C(C)[C@H](CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)on2)C1)OCC ZINC001190443972 1280881768 /nfs/dbraw/zinc/88/17/68/1280881768.db2.gz MEOGVOAZDRGRNU-SJORKVTESA-N 1 2 335.448 2.387 20 30 EEEDLO C=C(C)[C@H](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)on2)C1)OCC ZINC001190443972 1280881775 /nfs/dbraw/zinc/88/17/75/1280881775.db2.gz MEOGVOAZDRGRNU-SJORKVTESA-N 1 2 335.448 2.387 20 30 EEEDLO C#CCC1(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H](C)c3ncccn3)C2)CCC1 ZINC001190604775 1280973378 /nfs/dbraw/zinc/97/33/78/1280973378.db2.gz QSHORONQAHFQTM-JKSUJKDBSA-N 1 2 326.444 2.264 20 30 EEEDLO C#CCC1(C(=O)N2CC[C@@H]([N@H+](C)[C@@H](C)c3ncccn3)C2)CCC1 ZINC001190604775 1280973386 /nfs/dbraw/zinc/97/33/86/1280973386.db2.gz QSHORONQAHFQTM-JKSUJKDBSA-N 1 2 326.444 2.264 20 30 EEEDLO C=CCOCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001110446919 1281962216 /nfs/dbraw/zinc/96/22/16/1281962216.db2.gz DWHRVCSGMVHNHZ-IYBDPMFKSA-N 1 2 344.459 2.120 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC001194406829 1283034576 /nfs/dbraw/zinc/03/45/76/1283034576.db2.gz BHQGYEBTMJOVKX-LSDHHAIUSA-N 1 2 335.448 2.422 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 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ZINC001071113634 1286797851 /nfs/dbraw/zinc/79/78/51/1286797851.db2.gz LEPGVXGMTICCLV-HNAYVOBHSA-N 1 2 346.858 2.403 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H](NC(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001071259723 1286999241 /nfs/dbraw/zinc/99/92/41/1286999241.db2.gz XOBUUBJHYLRAGG-MRXNPFEDSA-N 1 2 344.459 2.196 20 30 EEEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc3onc(C)c3c1)C2 ZINC001273903383 1289723661 /nfs/dbraw/zinc/72/36/61/1289723661.db2.gz WXATUMNEHIZJCG-UHFFFAOYSA-N 1 2 341.411 2.126 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(OC)n1 ZINC001110610796 1291022668 /nfs/dbraw/zinc/02/26/68/1291022668.db2.gz SBXGWGDVGDCCRT-OAGGEKHMSA-N 1 2 330.432 2.063 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(OC)n1 ZINC001110610796 1291022676 /nfs/dbraw/zinc/02/26/76/1291022676.db2.gz SBXGWGDVGDCCRT-OAGGEKHMSA-N 1 2 330.432 2.063 20 30 EEEDLO C#CCOc1cccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000108518002 1291089337 /nfs/dbraw/zinc/08/93/37/1291089337.db2.gz 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C#CCC[N@@H+](CCOC)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000852752434 1292186605 /nfs/dbraw/zinc/18/66/05/1292186605.db2.gz YKDMQNFQZBZDKK-UHFFFAOYSA-N 1 2 331.384 2.155 20 30 EEEDLO C#CCC[N@H+](CCOC)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000852752434 1292186611 /nfs/dbraw/zinc/18/66/11/1292186611.db2.gz YKDMQNFQZBZDKK-UHFFFAOYSA-N 1 2 331.384 2.155 20 30 EEEDLO C#CCC[N@@H+](CCOC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000852752515 1292186761 /nfs/dbraw/zinc/18/67/61/1292186761.db2.gz BCXBFPSLHYUFKD-UHFFFAOYSA-N 1 2 330.344 2.117 20 30 EEEDLO C#CCC[N@H+](CCOC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000852752515 1292186766 /nfs/dbraw/zinc/18/67/66/1292186766.db2.gz BCXBFPSLHYUFKD-UHFFFAOYSA-N 1 2 330.344 2.117 20 30 EEEDLO Cc1nc(SCC(=O)NOC2CC[NH+](C)CC2)c(C#N)c(C)c1C ZINC000854356867 1292745831 /nfs/dbraw/zinc/74/58/31/1292745831.db2.gz JWUWXYBZDSKHNW-UHFFFAOYSA-N 1 2 348.472 2.113 20 30 EEEDLO C#CCCN(CCOC)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000856391893 1293509611 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/nfs/dbraw/zinc/90/96/02/1301909602.db2.gz CYQHXDQQOZMJOR-WBMJQRKESA-N 1 2 329.448 2.284 20 30 EEEDLO Cc1nc(N2CCC[C@@H](CCNC(=O)[C@@H](C)C#N)C2)c(C)c(C)[nH+]1 ZINC001102910477 1301909694 /nfs/dbraw/zinc/90/96/94/1301909694.db2.gz CYQHXDQQOZMJOR-LRDDRELGSA-N 1 2 329.448 2.284 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001227973702 1302036475 /nfs/dbraw/zinc/03/64/75/1302036475.db2.gz XGWJTJVOEZKIBN-ZIAGYGMSSA-N 1 2 348.495 2.157 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](CC)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001103074138 1302167767 /nfs/dbraw/zinc/16/77/67/1302167767.db2.gz WMNYCSABTFMNIX-AUUYWEPGSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CC(C)(C)C(=O)NC1CC[NH+](CC(=O)N[C@H](C)c2ccco2)CC1 ZINC001228631137 1302346261 /nfs/dbraw/zinc/34/62/61/1302346261.db2.gz DLEURYWEOVWWPL-CQSZACIVSA-N 1 2 347.459 2.250 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](CC)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001103196985 1302442499 /nfs/dbraw/zinc/44/24/99/1302442499.db2.gz ZJPJEORJLLMOLN-DZGCQCFKSA-N 1 2 330.432 2.007 20 30 EEEDLO C=CCCC1(C(=O)NC2CC[NH+](Cc3nn(CC)nc3C)CC2)CC1 ZINC001229037430 1302583094 /nfs/dbraw/zinc/58/30/94/1302583094.db2.gz KAEMONFNFAXKQH-UHFFFAOYSA-N 1 2 345.491 2.433 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC1CC[NH+](Cc2cn(CC3CC3)nn2)CC1 ZINC001229048570 1302589955 /nfs/dbraw/zinc/58/99/55/1302589955.db2.gz HNJCTICOQYKOFM-IBGZPJMESA-N 1 2 345.491 2.371 20 30 EEEDLO C=CCCC1(C(=O)NC[C@@H](CC)Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001103296228 1302675058 /nfs/dbraw/zinc/67/50/58/1302675058.db2.gz MJTURFVZRWCUIV-CYBMUJFWSA-N 1 2 342.447 2.416 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H](CC)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001103328078 1302744953 /nfs/dbraw/zinc/74/49/53/1302744953.db2.gz CFDULVYUSKDVJV-CYBMUJFWSA-N 1 2 334.468 2.155 20 30 EEEDLO N#CC1(NC(=O)[C@@H]2CC23CC[NH+](Cc2cscn2)CC3)CCC1 ZINC001277423958 1302960593 /nfs/dbraw/zinc/96/05/93/1302960593.db2.gz HORSBJFMVWYZCL-AWEZNQCLSA-N 1 2 330.457 2.308 20 30 EEEDLO COc1ccccc1C[N@@H+]1CC[C@H]2C[C@]21C(=O)NC1(C#N)CCC1 ZINC001277423954 1302960897 /nfs/dbraw/zinc/96/08/97/1302960897.db2.gz WOWHFSJBUZDHJH-HNAYVOBHSA-N 1 2 325.412 2.222 20 30 EEEDLO COc1ccccc1C[N@H+]1CC[C@H]2C[C@]21C(=O)NC1(C#N)CCC1 ZINC001277423954 1302960901 /nfs/dbraw/zinc/96/09/01/1302960901.db2.gz WOWHFSJBUZDHJH-HNAYVOBHSA-N 1 2 325.412 2.222 20 30 EEEDLO C=C[C@@H](C(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1)c1ccccc1 ZINC001230332056 1303165966 /nfs/dbraw/zinc/16/59/66/1303165966.db2.gz PNDUBQSHMZTTDY-LJQANCHMSA-N 1 2 338.455 2.471 20 30 EEEDLO N#Cc1ccc(NCc2ccc(CNC(=O)Cc3[nH]cc[nH+]3)cc2)cn1 ZINC001103664062 1303200605 /nfs/dbraw/zinc/20/06/05/1303200605.db2.gz IDIBYUOJKKOAKL-UHFFFAOYSA-N 1 2 346.394 2.147 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCCC1 ZINC001230574844 1303287569 /nfs/dbraw/zinc/28/75/69/1303287569.db2.gz IUFPGPDLTFUWLG-KRWDZBQOSA-N 1 2 335.492 2.134 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C1CCCC1 ZINC001230574844 1303287570 /nfs/dbraw/zinc/28/75/70/1303287570.db2.gz IUFPGPDLTFUWLG-KRWDZBQOSA-N 1 2 335.492 2.134 20 30 EEEDLO C=C(C)CCC(=O)NCC[C@H]1CCCN1c1[nH+]cnc2c1cnn2C ZINC001103758061 1303303535 /nfs/dbraw/zinc/30/35/35/1303303535.db2.gz DSTXNSULQLATEM-CQSZACIVSA-N 1 2 342.447 2.195 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001103815186 1303365645 /nfs/dbraw/zinc/36/56/45/1303365645.db2.gz LBKVLOVFOHSFGQ-CQSZACIVSA-N 1 2 332.452 2.005 20 30 EEEDLO C=C(Cl)C[N@@H+](CCCNC(=O)c1cncn1C)Cc1cccnc1 ZINC001230800660 1303466320 /nfs/dbraw/zinc/46/63/20/1303466320.db2.gz MUMDXLJCAXMRPL-UHFFFAOYSA-N 1 2 347.850 2.190 20 30 EEEDLO C=C(Cl)C[N@H+](CCCNC(=O)c1cncn1C)Cc1cccnc1 ZINC001230800660 1303466323 /nfs/dbraw/zinc/46/63/23/1303466323.db2.gz MUMDXLJCAXMRPL-UHFFFAOYSA-N 1 2 347.850 2.190 20 30 EEEDLO C#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+][C@@H](C)c2noc(C)n2)C1 ZINC001104126916 1303582752 /nfs/dbraw/zinc/58/27/52/1303582752.db2.gz ILAWLIMYCRRPID-IJEWVQPXSA-N 1 2 332.448 2.317 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(OC)nc1 ZINC001231093485 1303625555 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30 EEEDLO CCC1=NC2(CC[NH+](Cc3cc(F)ccc3C#N)CC2)C(=O)N1C ZINC001232892326 1304284609 /nfs/dbraw/zinc/28/46/09/1304284609.db2.gz HWBAXSGUKCLRFQ-UHFFFAOYSA-N 1 2 328.391 2.312 20 30 EEEDLO N#Cc1cc[nH]c1CN1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001233043762 1304341233 /nfs/dbraw/zinc/34/12/33/1304341233.db2.gz MEVREKXFROSIQO-OAHLLOKOSA-N 1 2 325.416 2.141 20 30 EEEDLO Cc1nc(N2CC[C@]3(C2)CCCN(C(=O)C#CC(C)C)C3)cc[nH+]1 ZINC001112218429 1304346071 /nfs/dbraw/zinc/34/60/71/1304346071.db2.gz ZZCQCLHWMWPKOS-IBGZPJMESA-N 1 2 326.444 2.263 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CN(C)C(=O)CC2(C)CCCC2)C1=O ZINC001234088739 1304734170 /nfs/dbraw/zinc/73/41/70/1304734170.db2.gz PXEOFMFNMLZIDL-IRXDYDNUSA-N 1 2 347.503 2.276 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CN(C)C(=O)CC2(C)CCCC2)C1=O ZINC001234088739 1304734177 /nfs/dbraw/zinc/73/41/77/1304734177.db2.gz PXEOFMFNMLZIDL-IRXDYDNUSA-N 1 2 347.503 2.276 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)c(OC)c(C)c1 ZINC001234422720 1304917462 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335.492 2.132 20 30 EEEDLO COc1cccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1O ZINC000798275484 1304969054 /nfs/dbraw/zinc/96/90/54/1304969054.db2.gz QWYLDXQEMMXTND-KBPBESRZSA-N 1 2 347.415 2.249 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)NC1CCCC1 ZINC001234626953 1304991670 /nfs/dbraw/zinc/99/16/70/1304991670.db2.gz YAHZPGVYUSARGN-NVXWUHKLSA-N 1 2 335.492 2.323 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC1CCCC1 ZINC001234626953 1304991672 /nfs/dbraw/zinc/99/16/72/1304991672.db2.gz YAHZPGVYUSARGN-NVXWUHKLSA-N 1 2 335.492 2.323 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N(C)[C@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001115485050 1305203372 /nfs/dbraw/zinc/20/33/72/1305203372.db2.gz OORWWWCONFBVSI-CZUORRHYSA-N 1 2 332.448 2.415 20 30 EEEDLO CSc1ncc(C)cc1C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001238719325 1308939239 /nfs/dbraw/zinc/93/92/39/1308939239.db2.gz WVYMFGNUZDZARK-UHFFFAOYSA-N 1 2 340.456 2.096 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001120561753 1309611734 /nfs/dbraw/zinc/61/17/34/1309611734.db2.gz KLHOKMDGUNLMKN-PXAZEXFGSA-N 1 2 330.436 2.224 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(CCc3cccc(C)c3)n2CC)CC1 ZINC001121722370 1310118821 /nfs/dbraw/zinc/11/88/21/1310118821.db2.gz YUCXZRZCFJFCIO-UHFFFAOYSA-N 1 2 337.471 2.147 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](COCC)C1 ZINC001122529355 1310320384 /nfs/dbraw/zinc/32/03/84/1310320384.db2.gz ASBSDDCRFLRMBR-CVEARBPZSA-N 1 2 333.480 2.484 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](COCC)C1 ZINC001122529355 1310320394 /nfs/dbraw/zinc/32/03/94/1310320394.db2.gz ASBSDDCRFLRMBR-CVEARBPZSA-N 1 2 333.480 2.484 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)OC(C)(C)C)n2CC2CC2)CC1 ZINC001123631773 1310648612 /nfs/dbraw/zinc/64/86/12/1310648612.db2.gz FUNUYGZXEUNMNW-HNNXBMFYSA-N 1 2 345.491 2.319 20 30 EEEDLO Cn1c(-c2ccccc2)cnc1SC[C@H](O)C[N@H+](C)CCC#N ZINC000840737585 1315404239 /nfs/dbraw/zinc/40/42/39/1315404239.db2.gz GBQKHXQNLSZPRW-OAHLLOKOSA-N 1 2 330.457 2.386 20 30 EEEDLO Cn1c(-c2ccccc2)cnc1SC[C@H](O)C[N@@H+](C)CCC#N ZINC000840737585 1315404242 /nfs/dbraw/zinc/40/42/42/1315404242.db2.gz GBQKHXQNLSZPRW-OAHLLOKOSA-N 1 2 330.457 2.386 20 30 EEEDLO COc1cc(C(=O)/C=C/c2c[nH+]c(N(C)C)n2C)cc(OC)c1O ZINC000843270603 1315878176 /nfs/dbraw/zinc/87/81/76/1315878176.db2.gz CCDVBCVXVYPPLU-VOTSOKGWSA-N 1 2 331.372 2.105 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)CCC(F)(F)F)C1 ZINC001149448505 1315968338 /nfs/dbraw/zinc/96/83/38/1315968338.db2.gz QWOUIUQGDMQSJO-NSHDSACASA-N 1 2 328.762 2.289 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)CCC(F)(F)F)C1 ZINC001149448505 1315968339 /nfs/dbraw/zinc/96/83/39/1315968339.db2.gz QWOUIUQGDMQSJO-NSHDSACASA-N 1 2 328.762 2.289 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)C2CCOCC2)C1 ZINC001150841623 1316391334 /nfs/dbraw/zinc/39/13/34/1316391334.db2.gz LHIMVBHVZVSPPK-GDBMZVCRSA-N 1 2 344.883 2.009 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)C2CCOCC2)C1 ZINC001150841623 1316391340 /nfs/dbraw/zinc/39/13/40/1316391340.db2.gz LHIMVBHVZVSPPK-GDBMZVCRSA-N 1 2 344.883 2.009 20 30 EEEDLO C=CCOc1ccc(CC(=O)NCC[NH2+][C@@H](C)c2csnn2)cc1 ZINC001152769150 1316721238 /nfs/dbraw/zinc/72/12/38/1316721238.db2.gz CHLMJGXCEZVAIH-ZDUSSCGKSA-N 1 2 346.456 2.112 20 30 EEEDLO C#CCCCCCC(=O)NC[C@@H](C)[N@H+](CC)CC(=O)Nc1ccon1 ZINC001154609312 1317231319 /nfs/dbraw/zinc/23/13/19/1317231319.db2.gz BWDLKTVHTCQHEC-OAHLLOKOSA-N 1 2 348.447 2.023 20 30 EEEDLO C#CCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccon1 ZINC001154609312 1317231326 /nfs/dbraw/zinc/23/13/26/1317231326.db2.gz BWDLKTVHTCQHEC-OAHLLOKOSA-N 1 2 348.447 2.023 20 30 EEEDLO CC#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cn(CC2CC2)nn1 ZINC001154719539 1317280509 /nfs/dbraw/zinc/28/05/09/1317280509.db2.gz GCLSEGVVLJGWAB-MRXNPFEDSA-N 1 2 345.491 2.208 20 30 EEEDLO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cn(CC2CC2)nn1 ZINC001154719539 1317280514 /nfs/dbraw/zinc/28/05/14/1317280514.db2.gz GCLSEGVVLJGWAB-MRXNPFEDSA-N 1 2 345.491 2.208 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nccs2)c1 ZINC001155149282 1317474621 /nfs/dbraw/zinc/47/46/21/1317474621.db2.gz HYZJAQCMYQRDIU-CYBMUJFWSA-N 1 2 328.441 2.160 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nccs2)c1 ZINC001155149282 1317474624 /nfs/dbraw/zinc/47/46/24/1317474624.db2.gz HYZJAQCMYQRDIU-CYBMUJFWSA-N 1 2 328.441 2.160 20 30 EEEDLO CCCCCCCC[C@H](O)C[N@H+]1Cc2nnn(C)c2[C@@H](COC)C1 ZINC001252126172 1317559282 /nfs/dbraw/zinc/55/92/82/1317559282.db2.gz MITMNJMNZHSFLN-CVEARBPZSA-N 1 2 338.496 2.472 20 30 EEEDLO CCCCCCCC[C@H](O)C[N@@H+]1Cc2nnn(C)c2[C@@H](COC)C1 ZINC001252126172 1317559288 /nfs/dbraw/zinc/55/92/88/1317559288.db2.gz MITMNJMNZHSFLN-CVEARBPZSA-N 1 2 338.496 2.472 20 30 EEEDLO N#Cc1ccc(CCNc2ccc(CN3C(=O)CCC3=O)c[nH+]2)cc1 ZINC001156837721 1318236821 /nfs/dbraw/zinc/23/68/21/1318236821.db2.gz NCRVRMPNWHBMMQ-UHFFFAOYSA-N 1 2 334.379 2.257 20 30 EEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCC(=O)Nc1ccc2ccccc2c1 ZINC001255165201 1318307945 /nfs/dbraw/zinc/30/79/45/1318307945.db2.gz VEGFQOFCUAWOEO-INIZCTEOSA-N 1 2 338.411 2.176 20 30 EEEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC)C(=O)OCC ZINC001255194444 1318316124 /nfs/dbraw/zinc/31/61/24/1318316124.db2.gz LHFFZKCNPRVPAE-LSPIHWNJSA-N 1 2 336.432 2.236 20 30 EEEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)cn1 ZINC001157885452 1318916064 /nfs/dbraw/zinc/91/60/64/1318916064.db2.gz WHZSYGTXMASILD-QGZVFWFLSA-N 1 2 328.460 2.401 20 30 EEEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)cn1 ZINC001157885452 1318916066 /nfs/dbraw/zinc/91/60/66/1318916066.db2.gz WHZSYGTXMASILD-QGZVFWFLSA-N 1 2 328.460 2.401 20 30 EEEDLO C=CCC[C@H](C)[NH2+][C@@H](Cc1cccc(S(C)(=O)=O)c1)C(=O)OC ZINC001258721044 1319328655 /nfs/dbraw/zinc/32/86/55/1319328655.db2.gz LNWXQWONBUYYSV-BBRMVZONSA-N 1 2 339.457 2.119 20 30 EEEDLO N#Cc1c(Cl)ncnc1N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001158623496 1319340215 /nfs/dbraw/zinc/34/02/15/1319340215.db2.gz IIWBGVAHGNXMDI-NSHDSACASA-N 1 2 327.766 2.311 20 30 EEEDLO C[N@@H+]1CCOC[C@H]1CNc1ccc([C@H](C#N)c2ccccc2F)nn1 ZINC001158706872 1319389388 /nfs/dbraw/zinc/38/93/88/1319389388.db2.gz DYHIHUKJSFLHGF-UKRRQHHQSA-N 1 2 341.390 2.014 20 30 EEEDLO C[N@H+]1CCOC[C@H]1CNc1ccc([C@H](C#N)c2ccccc2F)nn1 ZINC001158706872 1319389396 /nfs/dbraw/zinc/38/93/96/1319389396.db2.gz DYHIHUKJSFLHGF-UKRRQHHQSA-N 1 2 341.390 2.014 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)CCCOC)CC1 ZINC001159397992 1319779652 /nfs/dbraw/zinc/77/96/52/1319779652.db2.gz JFWGFYWOLWBWPD-UHFFFAOYSA-N 1 2 345.281 2.460 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)CCCOC)CC1 ZINC001159397992 1319779661 /nfs/dbraw/zinc/77/96/61/1319779661.db2.gz JFWGFYWOLWBWPD-UHFFFAOYSA-N 1 2 345.281 2.460 20 30 EEEDLO C#CCCCC(=O)NCCC1=CC[N@H+](Cc2nnc(CC)o2)CC1 ZINC001159958110 1320033190 /nfs/dbraw/zinc/03/31/90/1320033190.db2.gz YJBIIQFPOXSJQP-UHFFFAOYSA-N 1 2 330.432 2.074 20 30 EEEDLO C#CCCCC(=O)NCCC1=CC[N@@H+](Cc2nnc(CC)o2)CC1 ZINC001159958110 1320033196 /nfs/dbraw/zinc/03/31/96/1320033196.db2.gz YJBIIQFPOXSJQP-UHFFFAOYSA-N 1 2 330.432 2.074 20 30 EEEDLO Cc1ccnc(C[N@H+]2CC=C(CCNC(=O)C#CC(C)C)CC2)n1 ZINC001160055322 1320059587 /nfs/dbraw/zinc/05/95/87/1320059587.db2.gz ZWMYYKWPOBSPTJ-UHFFFAOYSA-N 1 2 326.444 2.083 20 30 EEEDLO Cc1ccnc(C[N@@H+]2CC=C(CCNC(=O)C#CC(C)C)CC2)n1 ZINC001160055322 1320059592 /nfs/dbraw/zinc/05/95/92/1320059592.db2.gz ZWMYYKWPOBSPTJ-UHFFFAOYSA-N 1 2 326.444 2.083 20 30 EEEDLO CC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)CC1 ZINC001160714410 1320243205 /nfs/dbraw/zinc/24/32/05/1320243205.db2.gz MDFNICGZQFRRFF-HNAYVOBHSA-N 1 2 340.471 2.237 20 30 EEEDLO CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)CC1 ZINC001160714410 1320243211 /nfs/dbraw/zinc/24/32/11/1320243211.db2.gz MDFNICGZQFRRFF-HNAYVOBHSA-N 1 2 340.471 2.237 20 30 EEEDLO O=C(C#CC1CC1)N(CC[NH2+]Cc1ncccn1)CCc1ccccc1 ZINC001162806475 1320963806 /nfs/dbraw/zinc/96/38/06/1320963806.db2.gz DRBZBICXWYBRIF-UHFFFAOYSA-N 1 2 348.450 2.051 20 30 EEEDLO C#CC[NH2+]CCN(CCc1ccccc1)C(=O)C(F)C(F)(F)F ZINC001162817060 1320967440 /nfs/dbraw/zinc/96/74/40/1320967440.db2.gz NKRPJCMFPNVUDJ-AWEZNQCLSA-N 1 2 330.325 2.181 20 30 EEEDLO C#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](F)C(F)(F)F ZINC001162817060 1320967444 /nfs/dbraw/zinc/96/74/44/1320967444.db2.gz NKRPJCMFPNVUDJ-AWEZNQCLSA-N 1 2 330.325 2.181 20 30 EEEDLO CCSc1cc[nH+]c(N2CCN(c3nccnc3C#N)CC2)c1 ZINC001166921831 1321817735 /nfs/dbraw/zinc/81/77/35/1321817735.db2.gz SOVINCXNZUTZTQ-UHFFFAOYSA-N 1 2 326.429 2.182 20 30 EEEDLO C#CCCCCC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001205123017 1322290542 /nfs/dbraw/zinc/29/05/42/1322290542.db2.gz XFRNACPOHAZLMD-RTBURBONSA-N 1 2 346.446 2.223 20 30 EEEDLO C#CCCCCC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001205123017 1322290548 /nfs/dbraw/zinc/29/05/48/1322290548.db2.gz XFRNACPOHAZLMD-RTBURBONSA-N 1 2 346.446 2.223 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)on2)C[C@H]1C ZINC001206915618 1323699956 /nfs/dbraw/zinc/69/99/56/1323699956.db2.gz FHDRTILUASUXRH-MUKKUYKPSA-N 1 2 349.475 2.236 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)on2)C[C@H]1C ZINC001206915618 1323699959 /nfs/dbraw/zinc/69/99/59/1323699959.db2.gz FHDRTILUASUXRH-MUKKUYKPSA-N 1 2 349.475 2.236 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2Cl)C[C@H]1NC(=O)C#CC1CC1 ZINC001206951888 1323737807 /nfs/dbraw/zinc/73/78/07/1323737807.db2.gz NOJVUCFVOGDUNH-SJKOYZFVSA-N 1 2 332.831 2.396 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2Cl)C[C@H]1NC(=O)C#CC1CC1 ZINC001206951888 1323737810 /nfs/dbraw/zinc/73/78/10/1323737810.db2.gz NOJVUCFVOGDUNH-SJKOYZFVSA-N 1 2 332.831 2.396 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C(F)C(F)(F)F ZINC001207023785 1323797860 /nfs/dbraw/zinc/79/78/60/1323797860.db2.gz YRFIHAAJDAGCFV-HONMWMINSA-N 1 2 343.324 2.395 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C(F)C(F)(F)F ZINC001207023785 1323797864 /nfs/dbraw/zinc/79/78/64/1323797864.db2.gz YRFIHAAJDAGCFV-HONMWMINSA-N 1 2 343.324 2.395 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn(C(C)C)c1C ZINC001316602318 1324130711 /nfs/dbraw/zinc/13/07/11/1324130711.db2.gz UGTDAHZHICCLLK-KRWDZBQOSA-N 1 2 331.460 2.174 20 30 EEEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn(C(C)C)c1C ZINC001316602318 1324130715 /nfs/dbraw/zinc/13/07/15/1324130715.db2.gz UGTDAHZHICCLLK-KRWDZBQOSA-N 1 2 331.460 2.174 20 30 EEEDLO C#CCCCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2nc(C3CC3)no2)C1 ZINC001207909602 1324206618 /nfs/dbraw/zinc/20/66/18/1324206618.db2.gz UWJZJAQCZULVGK-HIFRSBDPSA-N 1 2 330.432 2.392 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001208309703 1324414593 /nfs/dbraw/zinc/41/45/93/1324414593.db2.gz TZNIPECQFVRFOX-CZUORRHYSA-N 1 2 347.434 2.413 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001208309703 1324414597 /nfs/dbraw/zinc/41/45/97/1324414597.db2.gz TZNIPECQFVRFOX-CZUORRHYSA-N 1 2 347.434 2.413 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2nn(CC)nc2C)C[C@H]1C ZINC001208393458 1324472874 /nfs/dbraw/zinc/47/28/74/1324472874.db2.gz REIVDVKAAGCEAN-FVQBIDKESA-N 1 2 333.480 2.145 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2nn(CC)nc2C)C[C@H]1C ZINC001208393458 1324472878 /nfs/dbraw/zinc/47/28/78/1324472878.db2.gz REIVDVKAAGCEAN-FVQBIDKESA-N 1 2 333.480 2.145 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2cnccc2c1 ZINC001316607894 1324686048 /nfs/dbraw/zinc/68/60/48/1324686048.db2.gz PQFKADVSJCROSS-LJQANCHMSA-N 1 2 337.423 2.031 20 30 EEEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2cnccc2c1 ZINC001316607894 1324686052 /nfs/dbraw/zinc/68/60/52/1324686052.db2.gz PQFKADVSJCROSS-LJQANCHMSA-N 1 2 337.423 2.031 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCC(CCCC)CC2)C1 ZINC001318302367 1332507093 /nfs/dbraw/zinc/50/70/93/1332507093.db2.gz LTAHDJQAMVSVFV-ABHNRTSZSA-N 1 2 349.519 2.476 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCC(CCCC)CC2)C1 ZINC001318302367 1332507122 /nfs/dbraw/zinc/50/71/22/1332507122.db2.gz LTAHDJQAMVSVFV-ABHNRTSZSA-N 1 2 349.519 2.476 20 30 EEEDLO C=CCn1cnn(C[N@@H+]2C[C@H]3CCCC[C@@]3(C(=O)OC)C2)c1=S ZINC001327679123 1334332558 /nfs/dbraw/zinc/33/25/58/1334332558.db2.gz CLBWOSBCYHENJE-CZUORRHYSA-N 1 2 336.461 2.223 20 30 EEEDLO C=CCn1cnn(C[N@H+]2C[C@H]3CCCC[C@@]3(C(=O)OC)C2)c1=S ZINC001327679123 1334332560 /nfs/dbraw/zinc/33/25/60/1334332560.db2.gz CLBWOSBCYHENJE-CZUORRHYSA-N 1 2 336.461 2.223 20 30 EEEDLO C[C@@H](Nc1nc(Br)ccc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC001337027666 1336633023 /nfs/dbraw/zinc/63/30/23/1336633023.db2.gz XFZANGNXYXWJGI-GHMZBOCLSA-N 1 2 339.237 2.237 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](COCC)C1 ZINC001340389047 1337174481 /nfs/dbraw/zinc/17/44/81/1337174481.db2.gz AKAOQFHHYPIQCR-HOTGVXAUSA-N 1 2 333.480 2.484 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](COCC)C1 ZINC001340389047 1337174484 /nfs/dbraw/zinc/17/44/84/1337174484.db2.gz AKAOQFHHYPIQCR-HOTGVXAUSA-N 1 2 333.480 2.484 20 30 EEEDLO CC[C@@H](C(=O)[C@H](C#N)C(=O)Nc1cccc(OC)c1)[NH+](CC)CC ZINC001343365270 1337333083 /nfs/dbraw/zinc/33/30/83/1337333083.db2.gz HPOBCOWZSASCEY-HOTGVXAUSA-N 1 2 331.416 2.463 20 30 EEEDLO CC[C@@H](C(=O)C(C#N)C(=O)Nc1cccc(OC)c1)[NH+](CC)CC ZINC001343365270 1337333086 /nfs/dbraw/zinc/33/30/86/1337333086.db2.gz HPOBCOWZSASCEY-HOTGVXAUSA-N 1 2 331.416 2.463 20 30 EEEDLO C=C1CCN(c2nnc(C[NH+]3CCCCC3)n2C[C@@H]2CCOC2)CC1 ZINC001344107696 1337365980 /nfs/dbraw/zinc/36/59/80/1337365980.db2.gz OUWWBYMOOBMZHK-KRWDZBQOSA-N 1 2 345.491 2.457 20 30 EEEDLO O=C(NCC1CC([NH2+]CC#Cc2ccccc2)C1)C(F)C(F)(F)F ZINC001100348749 1338293598 /nfs/dbraw/zinc/29/35/98/1338293598.db2.gz DBXDYYLTDFFFOV-YMAMQOFZSA-N 1 2 342.336 2.423 20 30 EEEDLO O=C(NCC1CC([NH2+]CC#Cc2ccccc2)C1)[C@@H](F)C(F)(F)F ZINC001100348749 1338293602 /nfs/dbraw/zinc/29/36/02/1338293602.db2.gz DBXDYYLTDFFFOV-YMAMQOFZSA-N 1 2 342.336 2.423 20 30 EEEDLO N#CC1(c2ccccc2)CC([NH2+]Cc2nc(-c3nn[nH]n3)cs2)C1 ZINC001592671175 1349703963 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C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2nccn2CC)cc1 ZINC001028067636 776955441 /nfs/dbraw/zinc/95/54/41/776955441.db2.gz YGACJKWNMASSEC-SFHVURJKSA-N 1 2 336.439 2.279 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2nccn2CC)cc1 ZINC001028067636 776955447 /nfs/dbraw/zinc/95/54/47/776955447.db2.gz YGACJKWNMASSEC-SFHVURJKSA-N 1 2 336.439 2.279 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)c2[nH]nc3c2cccc3OC)CC1 ZINC000981258493 776999736 /nfs/dbraw/zinc/99/97/36/776999736.db2.gz NFZDBOBWTNGRQV-UHFFFAOYSA-N 1 2 348.834 2.472 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)c2[nH]nc3c2cccc3OC)CC1 ZINC000981258493 776999740 /nfs/dbraw/zinc/99/97/40/776999740.db2.gz NFZDBOBWTNGRQV-UHFFFAOYSA-N 1 2 348.834 2.472 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2COc3ccc(F)cc3C2)C1 ZINC001031846715 777298624 /nfs/dbraw/zinc/29/86/24/777298624.db2.gz XLHMJOONBUKWQU-AWEZNQCLSA-N 1 2 338.810 2.177 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@@H]3C)C2)C1 ZINC000981601073 777781455 /nfs/dbraw/zinc/78/14/55/777781455.db2.gz XJFVXMAVIJFROV-WCQYABFASA-N 1 2 327.266 2.475 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@@H]3C)C2)C1 ZINC000981601073 777781458 /nfs/dbraw/zinc/78/14/58/777781458.db2.gz XJFVXMAVIJFROV-WCQYABFASA-N 1 2 327.266 2.475 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001077813510 790566562 /nfs/dbraw/zinc/56/65/62/790566562.db2.gz OSUZPUUJJWNKMD-HNNXBMFYSA-N 1 2 346.475 2.110 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091391875 790583527 /nfs/dbraw/zinc/58/35/27/790583527.db2.gz ORLQXOYLHREEDL-MCIONIFRSA-N 1 2 342.447 2.272 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001032526435 790584968 /nfs/dbraw/zinc/58/49/68/790584968.db2.gz YOJOXWLHAOROTF-HAGHYFMRSA-N 1 2 338.451 2.085 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001032526435 790584975 /nfs/dbraw/zinc/58/49/75/790584975.db2.gz YOJOXWLHAOROTF-HAGHYFMRSA-N 1 2 338.451 2.085 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)NC2CCC(C)CC2)CC1 ZINC000981754751 778141378 /nfs/dbraw/zinc/14/13/78/778141378.db2.gz PWXGUADFYCHWQA-UHFFFAOYSA-N 1 2 349.519 2.428 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](CC(=O)NC2CCC(C)CC2)CC1 ZINC000981754751 778141380 /nfs/dbraw/zinc/14/13/80/778141380.db2.gz PWXGUADFYCHWQA-UHFFFAOYSA-N 1 2 349.519 2.428 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ncc(C)s2)c1 ZINC001028127659 778277267 /nfs/dbraw/zinc/27/72/67/778277267.db2.gz XJYKHYJBITWDJM-MRXNPFEDSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ncc(C)s2)c1 ZINC001028127659 778277269 /nfs/dbraw/zinc/27/72/69/778277269.db2.gz XJYKHYJBITWDJM-MRXNPFEDSA-N 1 2 340.452 2.222 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[N@H+](Cc3cc(C#N)ccc3F)CC2)O1 ZINC000982000762 778829434 /nfs/dbraw/zinc/82/94/34/778829434.db2.gz UYDNRCSKENLOBO-RDTXWAMCSA-N 1 2 345.418 2.299 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[N@@H+](Cc3cc(C#N)ccc3F)CC2)O1 ZINC000982000762 778829441 /nfs/dbraw/zinc/82/94/41/778829441.db2.gz UYDNRCSKENLOBO-RDTXWAMCSA-N 1 2 345.418 2.299 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1nocc1C ZINC001028195597 778835049 /nfs/dbraw/zinc/83/50/49/778835049.db2.gz RTECUJQWZJBGTF-ZOBUZTSGSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1nocc1C ZINC001028195597 778835054 /nfs/dbraw/zinc/83/50/54/778835054.db2.gz RTECUJQWZJBGTF-ZOBUZTSGSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnn2cccc(OC)c12 ZINC001028204750 778918751 /nfs/dbraw/zinc/91/87/51/778918751.db2.gz AYYWUNHGVJINHV-ZDUSSCGKSA-N 1 2 348.834 2.290 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn2cccc(OC)c12 ZINC001028204750 778918757 /nfs/dbraw/zinc/91/87/57/778918757.db2.gz AYYWUNHGVJINHV-ZDUSSCGKSA-N 1 2 348.834 2.290 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1-c1cccnc1 ZINC001028206441 778925487 /nfs/dbraw/zinc/92/54/87/778925487.db2.gz UJCYRLGXOGSBAM-CQSZACIVSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1-c1cccnc1 ZINC001028206441 778925490 /nfs/dbraw/zinc/92/54/90/778925490.db2.gz UJCYRLGXOGSBAM-CQSZACIVSA-N 1 2 345.834 2.418 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](CC)C(C)(C)C)C2)nn1 ZINC001105359842 779142580 /nfs/dbraw/zinc/14/25/80/779142580.db2.gz YBNRWYMALWPNMS-OAHLLOKOSA-N 1 2 345.491 2.237 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cccn3)n2)[C@H]1C ZINC001088850807 790698497 /nfs/dbraw/zinc/69/84/97/790698497.db2.gz JHKXUSUQHRDZAS-KGLIPLIRSA-N 1 2 345.834 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cccn3)n2)[C@H]1C ZINC001088850807 790698505 /nfs/dbraw/zinc/69/85/05/790698505.db2.gz JHKXUSUQHRDZAS-KGLIPLIRSA-N 1 2 345.834 2.212 20 30 EEEDLO CCC(CC)n1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)n1 ZINC001075620974 779644078 /nfs/dbraw/zinc/64/40/78/779644078.db2.gz KLZZAHXOBREMDN-RVKKMQEKSA-N 1 2 343.475 2.437 20 30 EEEDLO CCC(CC)n1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)n1 ZINC001075620974 779644083 /nfs/dbraw/zinc/64/40/83/779644083.db2.gz KLZZAHXOBREMDN-RVKKMQEKSA-N 1 2 343.475 2.437 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)CCC(C)(C)C)C2)nn1 ZINC001105362502 780587963 /nfs/dbraw/zinc/58/79/63/780587963.db2.gz AXNAGZVIDFESMH-HNNXBMFYSA-N 1 2 345.491 2.237 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(=O)CCC ZINC001028333129 780772290 /nfs/dbraw/zinc/77/22/90/780772290.db2.gz IZICTSBMPSIRMR-LSDHHAIUSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(=O)CCC ZINC001028333129 780772293 /nfs/dbraw/zinc/77/22/93/780772293.db2.gz IZICTSBMPSIRMR-LSDHHAIUSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC=CC3)[C@@H]2C1 ZINC001075637502 780805125 /nfs/dbraw/zinc/80/51/25/780805125.db2.gz KJSOTKSYNBUWJS-UONOGXRCSA-N 1 2 325.250 2.394 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC=CC3)[C@@H]2C1 ZINC001075637502 780805135 /nfs/dbraw/zinc/80/51/35/780805135.db2.gz KJSOTKSYNBUWJS-UONOGXRCSA-N 1 2 325.250 2.394 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@@H](O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001124530135 780861529 /nfs/dbraw/zinc/86/15/29/780861529.db2.gz QHBZIBWRONZYGY-HNNXBMFYSA-N 1 2 334.464 2.496 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098690518 781205205 /nfs/dbraw/zinc/20/52/05/781205205.db2.gz PAKGJCJQSOCWBN-APWZRJJASA-N 1 2 346.475 2.156 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCO2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087494694 781452669 /nfs/dbraw/zinc/45/26/69/781452669.db2.gz DEZXTOBFYOIMPD-KSZLIROESA-N 1 2 345.418 2.345 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCO2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087494694 781452675 /nfs/dbraw/zinc/45/26/75/781452675.db2.gz DEZXTOBFYOIMPD-KSZLIROESA-N 1 2 345.418 2.345 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cn2ncc3cc(C)cnc32)C1 ZINC001033269443 783287796 /nfs/dbraw/zinc/28/77/96/783287796.db2.gz RWPOZELHZDGQIA-HNNXBMFYSA-N 1 2 347.850 2.025 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2ncc3cc(C)cnc32)C1 ZINC001033269443 783287803 /nfs/dbraw/zinc/28/78/03/783287803.db2.gz RWPOZELHZDGQIA-HNNXBMFYSA-N 1 2 347.850 2.025 20 30 EEEDLO CCCc1nc(C[NH2+][C@@H]2CCCCCN(C(=O)[C@H](C)C#N)C2)no1 ZINC001088280110 783346720 /nfs/dbraw/zinc/34/67/20/783346720.db2.gz JBNGOOJTBNULJT-ZIAGYGMSSA-N 1 2 333.436 2.043 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cc(OC)no3)C2)cc1 ZINC001033322818 783559801 /nfs/dbraw/zinc/55/98/01/783559801.db2.gz NXOCRDVBXKGGEZ-INIZCTEOSA-N 1 2 339.395 2.011 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cc(OC)no3)C2)cc1 ZINC001033322818 783559805 /nfs/dbraw/zinc/55/98/05/783559805.db2.gz NXOCRDVBXKGGEZ-INIZCTEOSA-N 1 2 339.395 2.011 20 30 EEEDLO Cc1cccc(OC[C@@H](O)C[N@H+](C)CCC#N)c1Br ZINC000905981752 783616144 /nfs/dbraw/zinc/61/61/44/783616144.db2.gz YNSXIXCKVBQFOE-LBPRGKRZSA-N 1 2 327.222 2.343 20 30 EEEDLO Cc1cccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1Br ZINC000905981752 783616149 /nfs/dbraw/zinc/61/61/49/783616149.db2.gz YNSXIXCKVBQFOE-LBPRGKRZSA-N 1 2 327.222 2.343 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079070610 790988549 /nfs/dbraw/zinc/98/85/49/790988549.db2.gz NQVSKAQFWYPAIH-DNVCBOLYSA-N 1 2 346.475 2.394 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cscc2C(F)F)C1 ZINC001035367673 784381118 /nfs/dbraw/zinc/38/11/18/784381118.db2.gz JPNVGCHRBNHDPI-NSHDSACASA-N 1 2 328.384 2.140 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cscc2C(F)F)C1 ZINC001035367673 784381125 /nfs/dbraw/zinc/38/11/25/784381125.db2.gz JPNVGCHRBNHDPI-NSHDSACASA-N 1 2 328.384 2.140 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Cl)c(Cl)n2C)C1 ZINC001035386961 784425595 /nfs/dbraw/zinc/42/55/95/784425595.db2.gz TUOTXGKMRBQWKK-LLVKDONJSA-N 1 2 346.258 2.339 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(Cl)c(Cl)n2C)C1 ZINC001035386961 784425600 /nfs/dbraw/zinc/42/56/00/784425600.db2.gz TUOTXGKMRBQWKK-LLVKDONJSA-N 1 2 346.258 2.339 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2sccc2-n2cccc2)C1 ZINC001035467114 784590735 /nfs/dbraw/zinc/59/07/35/784590735.db2.gz RQBAYROUROBLIK-CQSZACIVSA-N 1 2 331.441 2.155 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2sccc2-n2cccc2)C1 ZINC001035467114 784590741 /nfs/dbraw/zinc/59/07/41/784590741.db2.gz RQBAYROUROBLIK-CQSZACIVSA-N 1 2 331.441 2.155 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2oc(C(C)C)nc2C)C[C@H]1OC ZINC001212187376 791039727 /nfs/dbraw/zinc/03/97/27/791039727.db2.gz QNWAZZBJQARJLE-NVXWUHKLSA-N 1 2 347.459 2.225 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2oc(C(C)C)nc2C)C[C@H]1OC ZINC001212187376 791039734 /nfs/dbraw/zinc/03/97/34/791039734.db2.gz QNWAZZBJQARJLE-NVXWUHKLSA-N 1 2 347.459 2.225 20 30 EEEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)[nH]n1 ZINC000907451058 784655971 /nfs/dbraw/zinc/65/59/71/784655971.db2.gz PWDGZWMQQIUAAP-QUCCMNQESA-N 1 2 349.438 2.357 20 30 EEEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)[nH]n1 ZINC000907451058 784655975 /nfs/dbraw/zinc/65/59/75/784655975.db2.gz PWDGZWMQQIUAAP-QUCCMNQESA-N 1 2 349.438 2.357 20 30 EEEDLO Nc1ccc2c(c1)C(=[NH+]NC(=S)NC[C@@H]1CCCO1)CCCC2 ZINC000817324071 784686354 /nfs/dbraw/zinc/68/63/54/784686354.db2.gz PLGGHTQKVIRFBE-AWEZNQCLSA-N 1 2 332.473 2.342 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C(F)F)cc2F)C1 ZINC001035554140 784724934 /nfs/dbraw/zinc/72/49/34/784724934.db2.gz APYHJJJGJYWTPJ-CYBMUJFWSA-N 1 2 340.345 2.217 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccc(C(F)F)cc2F)C1 ZINC001035554140 784724937 /nfs/dbraw/zinc/72/49/37/784724937.db2.gz APYHJJJGJYWTPJ-CYBMUJFWSA-N 1 2 340.345 2.217 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001035608537 784842919 /nfs/dbraw/zinc/84/29/19/784842919.db2.gz GPARGNQKORYHBV-MRXNPFEDSA-N 1 2 326.396 2.195 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001035608537 784842925 /nfs/dbraw/zinc/84/29/25/784842925.db2.gz GPARGNQKORYHBV-MRXNPFEDSA-N 1 2 326.396 2.195 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(OC3CCC3)cc2)C1 ZINC001035612436 784849904 /nfs/dbraw/zinc/84/99/04/784849904.db2.gz ZGZXQCVAQSHREF-SFHVURJKSA-N 1 2 330.428 2.235 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(OC3CCC3)cc2)C1 ZINC001035612436 784849909 /nfs/dbraw/zinc/84/99/09/784849909.db2.gz ZGZXQCVAQSHREF-SFHVURJKSA-N 1 2 330.428 2.235 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C1(C)CCOCC1)CC2 ZINC001035818124 785170113 /nfs/dbraw/zinc/17/01/13/785170113.db2.gz MQDHUMXRNVDIFI-UHFFFAOYSA-N 1 2 326.868 2.480 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cnc3cccnn13)CC2 ZINC001035814713 785218586 /nfs/dbraw/zinc/21/85/86/785218586.db2.gz SGTQAHFVRHFAMR-UHFFFAOYSA-N 1 2 345.834 2.020 20 30 EEEDLO C#C[C@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000820554140 785969621 /nfs/dbraw/zinc/96/96/21/785969621.db2.gz ZSYZTKYVRHBPOY-INIZCTEOSA-N 1 2 349.862 2.424 20 30 EEEDLO N#Cc1c(F)cccc1NC/C=C\CNC(=O)CCc1[nH]cc[nH+]1 ZINC001107173427 786218127 /nfs/dbraw/zinc/21/81/27/786218127.db2.gz KIORQGMMUXTKEF-UPHRSURJSA-N 1 2 327.363 2.138 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)c3cccc(C)c3)nn2)C1 ZINC001107215209 786453797 /nfs/dbraw/zinc/45/37/97/786453797.db2.gz COVIICMPEBYGCS-OAHLLOKOSA-N 1 2 339.443 2.049 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC/C=C/CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107236778 786586230 /nfs/dbraw/zinc/58/62/30/786586230.db2.gz XRASAYHOHXHGDQ-HSBSLETESA-N 1 2 344.459 2.339 20 30 EEEDLO N#Cc1c(F)cccc1NC/C=C\CNC(=O)CCCn1cc[nH+]c1 ZINC001107237426 786588193 /nfs/dbraw/zinc/58/81/93/786588193.db2.gz LOYHNIJQQQLLBC-UPHRSURJSA-N 1 2 341.390 2.459 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)c3ccccc3C)nn2)C1 ZINC001107238492 786590512 /nfs/dbraw/zinc/59/05/12/786590512.db2.gz ZXFPXACYOOCDAY-HNNXBMFYSA-N 1 2 339.443 2.049 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3occc3s2)[C@H](O)C1 ZINC001090570853 787008634 /nfs/dbraw/zinc/00/86/34/787008634.db2.gz VKATWXUURLFNJU-WDEREUQCSA-N 1 2 340.832 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3occc3s2)[C@H](O)C1 ZINC001090570853 787008646 /nfs/dbraw/zinc/00/86/46/787008646.db2.gz VKATWXUURLFNJU-WDEREUQCSA-N 1 2 340.832 2.412 20 30 EEEDLO O=C(c1cccc(C#CCO)c1)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910777997 787037626 /nfs/dbraw/zinc/03/76/26/787037626.db2.gz MZZJPTMCICKXFI-UHFFFAOYSA-N 1 2 346.430 2.131 20 30 EEEDLO O=C(c1cccc(C#CCO)c1)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910777997 787037637 /nfs/dbraw/zinc/03/76/37/787037637.db2.gz MZZJPTMCICKXFI-UHFFFAOYSA-N 1 2 346.430 2.131 20 30 EEEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnnn1CC ZINC001109604394 805755384 /nfs/dbraw/zinc/75/53/84/805755384.db2.gz HJGQAAOTLUHEET-NJAFHUGGSA-N 1 2 343.475 2.103 20 30 EEEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnnn1CC ZINC001109604394 805755393 /nfs/dbraw/zinc/75/53/93/805755393.db2.gz HJGQAAOTLUHEET-NJAFHUGGSA-N 1 2 343.475 2.103 20 30 EEEDLO N#CCN[C@H](C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001098821587 787444202 /nfs/dbraw/zinc/44/42/02/787444202.db2.gz PUBXLCVSOABRDW-CRAIPNDOSA-N 1 2 343.475 2.253 20 30 EEEDLO O=C1NC2(CCCC2)C(=O)N1Cc1ccc(NCCCS)[nH+]c1 ZINC001171000965 787515468 /nfs/dbraw/zinc/51/54/68/787515468.db2.gz LJVWQORUGUIZJJ-UHFFFAOYSA-N 1 2 334.445 2.178 20 30 EEEDLO Cc1nsc(NC2CC(N(C)C(=O)CCn3cc[nH+]c3)C2)c1C#N ZINC001127046845 787787254 /nfs/dbraw/zinc/78/72/54/787787254.db2.gz ICMMVLHXXCVRBP-UHFFFAOYSA-N 1 2 344.444 2.011 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001090697865 787826738 /nfs/dbraw/zinc/82/67/38/787826738.db2.gz UTRVLTCTFYSTLW-MUKKUYKPSA-N 1 2 346.475 2.176 20 30 EEEDLO CC[C@H](C)C(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107752255 788236822 /nfs/dbraw/zinc/23/68/22/788236822.db2.gz QYZYVLQNGVMMSY-KXBFYZLASA-N 1 2 329.444 2.311 20 30 EEEDLO CC[C@H](C)C(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107752255 788236825 /nfs/dbraw/zinc/23/68/25/788236825.db2.gz QYZYVLQNGVMMSY-KXBFYZLASA-N 1 2 329.444 2.311 20 30 EEEDLO C=CCCC1(C(=O)NCC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001060232539 788337478 /nfs/dbraw/zinc/33/74/78/788337478.db2.gz BCYPNHGFHLWSNR-HNNXBMFYSA-N 1 2 344.459 2.053 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3cnccc32)[C@H](O)C1 ZINC001090816032 788414884 /nfs/dbraw/zinc/41/48/84/788414884.db2.gz ONJCPZIKEOWFMY-DLBZAZTESA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3cnccc32)[C@H](O)C1 ZINC001090816032 788414889 /nfs/dbraw/zinc/41/48/89/788414889.db2.gz ONJCPZIKEOWFMY-DLBZAZTESA-N 1 2 345.830 2.152 20 30 EEEDLO N#Cc1nccnc1N1CC[NH+](Cc2c[nH]c3cccc(F)c23)CC1 ZINC001136985442 788429025 /nfs/dbraw/zinc/42/90/25/788429025.db2.gz HIWHLJVSCCQPMQ-UHFFFAOYSA-N 1 2 336.374 2.291 20 30 EEEDLO C=CCCC(=O)NC[C@@]1(C)C[N@H+](Cc2sc(C)nc2C)CCO1 ZINC001107802756 788503725 /nfs/dbraw/zinc/50/37/25/788503725.db2.gz YWIYNTAYGJNKNU-KRWDZBQOSA-N 1 2 337.489 2.433 20 30 EEEDLO C=CCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2sc(C)nc2C)CCO1 ZINC001107802756 788503731 /nfs/dbraw/zinc/50/37/31/788503731.db2.gz YWIYNTAYGJNKNU-KRWDZBQOSA-N 1 2 337.489 2.433 20 30 EEEDLO C=CCCC(=O)N1CC[C@H](CNc2[nH+]cnc3c2cnn3C)[C@@H](C)C1 ZINC001090264008 788526406 /nfs/dbraw/zinc/52/64/06/788526406.db2.gz WUZAAPLNYLOFLI-UONOGXRCSA-N 1 2 342.447 2.226 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060787403 788635750 /nfs/dbraw/zinc/63/57/50/788635750.db2.gz JVSKSIRDYNNHGE-BZUAXINKSA-N 1 2 346.475 2.346 20 30 EEEDLO C[C@@]1(CNC(=O)/C=C/C2CC2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107842279 788712675 /nfs/dbraw/zinc/71/26/75/788712675.db2.gz YXDGVERABZQOIU-NDDJGDGRSA-N 1 2 339.439 2.232 20 30 EEEDLO C[C@@]1(CNC(=O)/C=C/C2CC2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107842279 788712680 /nfs/dbraw/zinc/71/26/80/788712680.db2.gz YXDGVERABZQOIU-NDDJGDGRSA-N 1 2 339.439 2.232 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)Cc2cccc(F)c2Br)CC1 ZINC001143755256 788839243 /nfs/dbraw/zinc/83/92/43/788839243.db2.gz LLYUNWCQOHVDSR-UHFFFAOYSA-N 1 2 341.224 2.461 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001077742820 788907154 /nfs/dbraw/zinc/90/71/54/788907154.db2.gz IKLNEMNUGFWCEX-ZDUSSCGKSA-N 1 2 328.416 2.171 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C2CC[NH+]([C@@H](C)c3ncccn3)CC2)c1 ZINC001005967612 789059559 /nfs/dbraw/zinc/05/95/59/789059559.db2.gz CIYJFSZJINISJM-HNNXBMFYSA-N 1 2 349.438 2.151 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)C(C)(C)C=C)CC2)C1 ZINC001105719506 789237004 /nfs/dbraw/zinc/23/70/04/789237004.db2.gz IUVASEBGPMVEGL-UHFFFAOYSA-N 1 2 336.476 2.093 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCCCCOCC)CC2)C1 ZINC001105734267 789307136 /nfs/dbraw/zinc/30/71/36/789307136.db2.gz JDFWWLUHMKDWTK-UHFFFAOYSA-N 1 2 338.492 2.461 20 30 EEEDLO C#CC[C@H](CCOC)NC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000923486830 789637677 /nfs/dbraw/zinc/63/76/77/789637677.db2.gz KIKAPVYXOVRLOY-OAHLLOKOSA-N 1 2 330.432 2.096 20 30 EEEDLO C[C@H](CC(=O)O[C@H]1CCN(c2sccc2C#N)C1=O)n1cc[nH+]c1 ZINC000845283658 789711282 /nfs/dbraw/zinc/71/12/82/789711282.db2.gz YLFOFNITSFMIHA-YPMHNXCESA-N 1 2 344.396 2.116 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)CC(=O)c2ccccc2F)C1 ZINC000923572917 789799542 /nfs/dbraw/zinc/79/95/42/789799542.db2.gz HQBLFRJCMGLGDI-HUUCEWRRSA-N 1 2 330.403 2.248 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CC(=O)c2ccccc2F)C1 ZINC000923572917 789799550 /nfs/dbraw/zinc/79/95/50/789799550.db2.gz HQBLFRJCMGLGDI-HUUCEWRRSA-N 1 2 330.403 2.248 20 30 EEEDLO C[C@H](CC(=O)[C@@H](C#N)C(=O)NCc1ccc(F)cc1F)n1cc[nH+]c1 ZINC000845526078 789831972 /nfs/dbraw/zinc/83/19/72/789831972.db2.gz CCRYAAGRMUCREE-BXUZGUMPSA-N 1 2 346.337 2.138 20 30 EEEDLO C=C(C)CCC(=O)NC1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001063072833 790191737 /nfs/dbraw/zinc/19/17/37/790191737.db2.gz JIGABIOUXMZBJF-OAHLLOKOSA-N 1 2 332.448 2.346 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(C)(C)F)CC2(CCOCC2)C1 ZINC001089918438 790215330 /nfs/dbraw/zinc/21/53/30/790215330.db2.gz MFNGIHSGAKBNHD-ZDUSSCGKSA-N 1 2 332.847 2.474 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)F)CC2(CCOCC2)C1 ZINC001089918438 790215334 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CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CCC(F)(F)CC2)C1 ZINC001108243767 802215191 /nfs/dbraw/zinc/21/51/91/802215191.db2.gz YWKCIZOUKLXEAB-INIZCTEOSA-N 1 2 328.403 2.042 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001108075604 802220122 /nfs/dbraw/zinc/22/01/22/802220122.db2.gz ASZKAAKDAOEIKI-QUCCMNQESA-N 1 2 344.430 2.086 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001108075604 802220130 /nfs/dbraw/zinc/22/01/30/802220130.db2.gz ASZKAAKDAOEIKI-QUCCMNQESA-N 1 2 344.430 2.086 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2conc2C2CC2)CC1 ZINC001004539925 802357765 /nfs/dbraw/zinc/35/77/65/802357765.db2.gz IXMHLLUQUKYNGR-INIZCTEOSA-N 1 2 328.416 2.392 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2conc2C2CC2)CC1 ZINC001004539925 802357777 /nfs/dbraw/zinc/35/77/77/802357777.db2.gz IXMHLLUQUKYNGR-INIZCTEOSA-N 1 2 328.416 2.392 20 30 EEEDLO CCCn1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c(C)n1 ZINC001004587207 802429193 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C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn3c(n2)C[C@@H](C)CC3)C1 ZINC001033190963 803026720 /nfs/dbraw/zinc/02/67/20/803026720.db2.gz NCOFUGINFZENSZ-GXTWGEPZSA-N 1 2 336.867 2.364 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn3c(n2)C[C@@H](C)CC3)C1 ZINC001033190963 803026727 /nfs/dbraw/zinc/02/67/27/803026727.db2.gz NCOFUGINFZENSZ-GXTWGEPZSA-N 1 2 336.867 2.364 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001108293611 803231454 /nfs/dbraw/zinc/23/14/54/803231454.db2.gz IBZLGIMIQSGSGC-WIYYLYMNSA-N 1 2 340.467 2.337 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001108293611 803231460 /nfs/dbraw/zinc/23/14/60/803231460.db2.gz IBZLGIMIQSGSGC-WIYYLYMNSA-N 1 2 340.467 2.337 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCC3(CCC3)CO2)C1 ZINC001108358194 803366892 /nfs/dbraw/zinc/36/68/92/803366892.db2.gz KPVXPXDHFSFTBB-SJLPKXTDSA-N 1 2 336.476 2.119 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCC3(CCC3)CO2)C1 ZINC001108358194 803366900 /nfs/dbraw/zinc/36/69/00/803366900.db2.gz KPVXPXDHFSFTBB-SJLPKXTDSA-N 1 2 336.476 2.119 20 30 EEEDLO Cc1nnccc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033233586 803443060 /nfs/dbraw/zinc/44/30/60/803443060.db2.gz SQTLTKUKGZFRFW-QGZVFWFLSA-N 1 2 335.411 2.003 20 30 EEEDLO Cc1nnccc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033233586 803443063 /nfs/dbraw/zinc/44/30/63/803443063.db2.gz SQTLTKUKGZFRFW-QGZVFWFLSA-N 1 2 335.411 2.003 20 30 EEEDLO C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC001108400011 803467515 /nfs/dbraw/zinc/46/75/15/803467515.db2.gz BGZRURHVIXKFAW-IBGZPJMESA-N 1 2 346.475 2.075 20 30 EEEDLO C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC001108400011 803467519 /nfs/dbraw/zinc/46/75/19/803467519.db2.gz BGZRURHVIXKFAW-IBGZPJMESA-N 1 2 346.475 2.075 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)CC3(C)CCCCC3)CC2=O)C1 ZINC001108555303 804061490 /nfs/dbraw/zinc/06/14/90/804061490.db2.gz KPGFCHIQDWEKSV-MRXNPFEDSA-N 1 2 347.503 2.324 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@H](CCC)C(C)C)CC2=O)C1 ZINC001108575107 804150695 /nfs/dbraw/zinc/15/06/95/804150695.db2.gz GWLNMHARFLAULT-NVXWUHKLSA-N 1 2 335.492 2.036 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H](CCCCC)C(C)C)CC2=O)C1 ZINC001108586100 804228512 /nfs/dbraw/zinc/22/85/12/804228512.db2.gz ZUCKUJWBIUVXTF-AEFFLSMTSA-N 1 2 349.519 2.426 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1F ZINC001109071099 804906562 /nfs/dbraw/zinc/90/65/62/804906562.db2.gz SFYGMOOASHTLMO-PVAVHDDUSA-N 1 2 336.382 2.389 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1F ZINC001109071099 804906567 /nfs/dbraw/zinc/90/65/67/804906567.db2.gz SFYGMOOASHTLMO-PVAVHDDUSA-N 1 2 336.382 2.389 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)nc1 ZINC001109072416 804907716 /nfs/dbraw/zinc/90/77/16/804907716.db2.gz DTLHKMLFUILESY-ILXRZTDVSA-N 1 2 335.835 2.159 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)nc1 ZINC001109072416 804907721 /nfs/dbraw/zinc/90/77/21/804907721.db2.gz DTLHKMLFUILESY-ILXRZTDVSA-N 1 2 335.835 2.159 20 30 EEEDLO C[C@H](CN(C)c1cccc(F)c1C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001109254398 805191367 /nfs/dbraw/zinc/19/13/67/805191367.db2.gz WOGGRURYANKTTP-ZIAGYGMSSA-N 1 2 343.406 2.486 20 30 EEEDLO C=CC[N@H+]1C[C@@H](NC(=O)[C@H](F)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129390090 805319735 /nfs/dbraw/zinc/31/97/35/805319735.db2.gz HKICAVGJNPWEQG-OAGGEKHMSA-N 1 2 337.443 2.114 20 30 EEEDLO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129390090 805319745 /nfs/dbraw/zinc/31/97/45/805319745.db2.gz HKICAVGJNPWEQG-OAGGEKHMSA-N 1 2 337.443 2.114 20 30 EEEDLO CN(CCCNc1ncc(C#N)cc1F)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001109489546 805548302 /nfs/dbraw/zinc/54/83/02/805548302.db2.gz DHZXHOXNWZZQEV-UHFFFAOYSA-N 1 2 344.394 2.054 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](CCOCCC(C)C)CC1 ZINC001112671681 806994158 /nfs/dbraw/zinc/99/41/58/806994158.db2.gz OSEZEBYVRYFXJV-KRWDZBQOSA-N 1 2 326.481 2.175 20 30 EEEDLO C=CCCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC001112687569 807030846 /nfs/dbraw/zinc/03/08/46/807030846.db2.gz GXSFACLICYCVLG-UHFFFAOYSA-N 1 2 341.455 2.206 20 30 EEEDLO C#CCOCCC(=O)N1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC001112843215 807415855 /nfs/dbraw/zinc/41/58/55/807415855.db2.gz OVIFCMIKHSGVSQ-UHFFFAOYSA-N 1 2 326.396 2.117 20 30 EEEDLO C=C(C)CCC(=O)NC1CC(CNc2[nH+]cnc3c2cnn3C)C1 ZINC001112855713 807454710 /nfs/dbraw/zinc/45/47/10/807454710.db2.gz HXTXOIXFRKWVEZ-UHFFFAOYSA-N 1 2 328.420 2.026 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@@H](C)[C@H](C)Nc2ccncc2C#N)c(C)[nH+]1 ZINC001113381543 808865103 /nfs/dbraw/zinc/86/51/03/808865103.db2.gz AYENXRYEIVIYSU-KBPBESRZSA-N 1 2 337.427 2.314 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnc3ccccc3c2)CC1 ZINC001113383867 808870432 /nfs/dbraw/zinc/87/04/32/808870432.db2.gz WNPZCYCAMXHOCW-UHFFFAOYSA-N 1 2 325.412 2.195 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](CCOCCCC)CC1 ZINC001113417780 808928907 /nfs/dbraw/zinc/92/89/07/808928907.db2.gz UXGDNNIYIIBMJD-ROUUACIJSA-N 1 2 338.492 2.319 20 30 EEEDLO N#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086595370 809078130 /nfs/dbraw/zinc/07/81/30/809078130.db2.gz YPOUYPBAOWMHGN-QFBILLFUSA-N 1 2 345.406 2.284 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113640217 809423921 /nfs/dbraw/zinc/42/39/21/809423921.db2.gz RAFAIQHUSUICHR-ZIAGYGMSSA-N 1 2 332.448 2.194 20 30 EEEDLO C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)N(C)c1cccc(F)c1C#N ZINC001113903204 810040251 /nfs/dbraw/zinc/04/02/51/810040251.db2.gz VOZDUGYLYDPEBF-ZIAGYGMSSA-N 1 2 343.406 2.486 20 30 EEEDLO CC(C)[C@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)Nc1ncccc1C#N ZINC001114104422 810368963 /nfs/dbraw/zinc/36/89/63/810368963.db2.gz CZHDKZSDEBMLEJ-HNNXBMFYSA-N 1 2 340.431 2.204 20 30 EEEDLO CCCCCCCCOCC(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001129523038 810891453 /nfs/dbraw/zinc/89/14/53/810891453.db2.gz RFTAPDXYECWMQS-UHFFFAOYSA-N 1 2 340.468 2.215 20 30 EEEDLO COc1ccc(C=NNc2[nH+]ccn2C)c(Br)c1O ZINC000790305733 811295635 /nfs/dbraw/zinc/29/56/35/811295635.db2.gz NSGCJOXOVOXPLA-UHFFFAOYSA-N 1 2 325.166 2.343 20 30 EEEDLO CCCCCC(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131128127 812419088 /nfs/dbraw/zinc/41/90/88/812419088.db2.gz ROQAUAZOSGJPNM-HZPDHXFCSA-N 1 2 345.491 2.434 20 30 EEEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001437802792 1090388632 /nfs/dbraw/zinc/38/86/32/1090388632.db2.gz HDMAGEFVNJOJBL-UHFFFAOYSA-N 1 2 342.424 2.115 20 30 EEEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001437802792 1090388637 /nfs/dbraw/zinc/38/86/37/1090388637.db2.gz HDMAGEFVNJOJBL-UHFFFAOYSA-N 1 2 342.424 2.115 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)Cc1ccco1 ZINC001446093543 1092120150 /nfs/dbraw/zinc/12/01/50/1092120150.db2.gz MFHHKFRWCFDDTQ-INIZCTEOSA-N 1 2 339.395 2.093 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)Cc1ccco1 ZINC001446093543 1092120153 /nfs/dbraw/zinc/12/01/53/1092120153.db2.gz MFHHKFRWCFDDTQ-INIZCTEOSA-N 1 2 339.395 2.093 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccco1 ZINC001442823911 1097213768 /nfs/dbraw/zinc/21/37/68/1097213768.db2.gz STLCANZVPUEMFR-LBPRGKRZSA-N 1 2 327.222 2.311 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)Cc1ccco1 ZINC001442823911 1097213779 /nfs/dbraw/zinc/21/37/79/1097213779.db2.gz STLCANZVPUEMFR-LBPRGKRZSA-N 1 2 327.222 2.311 20 30 EEEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)[C@@]1(C)CCOC1 ZINC001442969682 1097392602 /nfs/dbraw/zinc/39/26/02/1097392602.db2.gz ZZANTNBKFQVDQG-AWEZNQCLSA-N 1 2 333.270 2.150 20 30 EEEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)[C@@]1(C)CCOC1 ZINC001442969682 1097392608 /nfs/dbraw/zinc/39/26/08/1097392608.db2.gz ZZANTNBKFQVDQG-AWEZNQCLSA-N 1 2 333.270 2.150 20 30 EEEDLO C=C(Br)C[NH2+][C@H](C)CNC(=O)c1n[nH]c2ccccc21 ZINC001480583223 1100430574 /nfs/dbraw/zinc/43/05/74/1100430574.db2.gz YKJFTDKLJXJELC-SNVBAGLBSA-N 1 2 337.221 2.179 20 30 EEEDLO Cc1noc([C@@H](C)[NH2+]C[C@H](CC(C)C)NC(=O)c2cc(C#N)c[nH]2)n1 ZINC001496261815 1100831779 /nfs/dbraw/zinc/83/17/79/1100831779.db2.gz GZNYCDJIGGJVGO-RISCZKNCSA-N 1 2 344.419 2.073 20 30 EEEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001496679867 1101278789 /nfs/dbraw/zinc/27/87/89/1101278789.db2.gz NFZKTLPPDWWFKN-CVEARBPZSA-N 1 2 344.459 2.180 20 30 EEEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001496679867 1101278791 /nfs/dbraw/zinc/27/87/91/1101278791.db2.gz NFZKTLPPDWWFKN-CVEARBPZSA-N 1 2 344.459 2.180 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)CSC(C)C)cc1C#N ZINC001498927824 1108334186 /nfs/dbraw/zinc/33/41/86/1108334186.db2.gz ICCYSMQDQTWUCD-INIZCTEOSA-N 1 2 347.484 2.399 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)CSC(C)C)cc1C#N ZINC001498927824 1108334201 /nfs/dbraw/zinc/33/42/01/1108334201.db2.gz ICCYSMQDQTWUCD-INIZCTEOSA-N 1 2 347.484 2.399 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc(C[NH+]2CCCCC2)n1C[C@@H]1CCCCO1 ZINC001519961624 1119117112 /nfs/dbraw/zinc/11/71/12/1119117112.db2.gz SZTXLRJKCIJMEG-IRXDYDNUSA-N 1 2 345.491 2.291 20 30 EEEDLO Cc1cc2cc[nH]c2cc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000328619204 539756802 /nfs/dbraw/zinc/75/68/02/539756802.db2.gz VSWQIWSRKKIHQH-OAHLLOKOSA-N 1 2 328.416 2.428 20 30 EEEDLO O=C(NC1CC1)[C@H](O)C1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000329732634 539782337 /nfs/dbraw/zinc/78/23/37/539782337.db2.gz QHPCRPULVITVDK-QGZVFWFLSA-N 1 2 326.400 2.326 20 30 EEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)CC1(CC#N)CC1 ZINC000333270342 539802107 /nfs/dbraw/zinc/80/21/07/539802107.db2.gz CIEGNXTYGCOFBV-AWEZNQCLSA-N 1 2 336.461 2.454 20 30 EEEDLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000025529278 202133517 /nfs/dbraw/zinc/13/35/17/202133517.db2.gz YTAXWSHZBPMAMY-GXTWGEPZSA-N 1 2 347.415 2.370 20 30 EEEDLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000025529278 202133518 /nfs/dbraw/zinc/13/35/18/202133518.db2.gz YTAXWSHZBPMAMY-GXTWGEPZSA-N 1 2 347.415 2.370 20 30 EEEDLO O=C(C[NH+]1CCSCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000103467831 237076622 /nfs/dbraw/zinc/07/66/22/237076622.db2.gz BSNTUODQQAMJTO-UHFFFAOYSA-N 1 2 342.386 2.222 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](O)C1 ZINC000108355896 237122700 /nfs/dbraw/zinc/12/27/00/237122700.db2.gz VZIXFJXBMZQLHQ-KGLIPLIRSA-N 1 2 333.457 2.334 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](O)C1 ZINC000108355896 237122708 /nfs/dbraw/zinc/12/27/08/237122708.db2.gz VZIXFJXBMZQLHQ-KGLIPLIRSA-N 1 2 333.457 2.334 20 30 EEEDLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000078649656 202398265 /nfs/dbraw/zinc/39/82/65/202398265.db2.gz VZAAHPIBSOJFRQ-ZDUSSCGKSA-N 1 2 349.456 2.450 20 30 EEEDLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000078649656 202398269 /nfs/dbraw/zinc/39/82/69/202398269.db2.gz VZAAHPIBSOJFRQ-ZDUSSCGKSA-N 1 2 349.456 2.450 20 30 EEEDLO C=CCN(Cc1cn2cc(Cl)ccc2[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000264530690 201211864 /nfs/dbraw/zinc/21/18/64/201211864.db2.gz DHCRPNZIRZZLKJ-CQSZACIVSA-N 1 2 339.848 2.163 20 30 EEEDLO C#CC[C@H](NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000270458054 201239406 /nfs/dbraw/zinc/23/94/06/201239406.db2.gz TWVYFGRBSXTYKA-RYRKJORJSA-N 1 2 329.444 2.159 20 30 EEEDLO C#C[C@@H](C)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274758966 201270901 /nfs/dbraw/zinc/27/09/01/201270901.db2.gz GNFIBMUTEPZEOL-LLVKDONJSA-N 1 2 349.232 2.269 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCN(c3ccc(C)cc3)C2=O)n1 ZINC000279798981 201322718 /nfs/dbraw/zinc/32/27/18/201322718.db2.gz WKFZPUJRGPWIDP-IBGZPJMESA-N 1 2 336.439 2.452 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@H]2CCN(c3ccc(C)cc3)C2=O)n1 ZINC000279798981 201322720 /nfs/dbraw/zinc/32/27/20/201322720.db2.gz WKFZPUJRGPWIDP-IBGZPJMESA-N 1 2 336.439 2.452 20 30 EEEDLO CCN(CCC#N)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000426508625 241301928 /nfs/dbraw/zinc/30/19/28/241301928.db2.gz JDVFTIMLEITATM-UHFFFAOYSA-N 1 2 339.399 2.288 20 30 EEEDLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)n(CCC#N)n1 ZINC000069704657 203040076 /nfs/dbraw/zinc/04/00/76/203040076.db2.gz YFTACHLPLVKZEH-OAHLLOKOSA-N 1 2 337.427 2.491 20 30 EEEDLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)n(CCC#N)n1 ZINC000069704657 203040078 /nfs/dbraw/zinc/04/00/78/203040078.db2.gz YFTACHLPLVKZEH-OAHLLOKOSA-N 1 2 337.427 2.491 20 30 EEEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)/C=C/c3cccc(C#N)c3)CC2)S1 ZINC000073118313 203256683 /nfs/dbraw/zinc/25/66/83/203256683.db2.gz IWMZGQULUWFUKH-GJBLVYBDSA-N 1 2 340.452 2.207 20 30 EEEDLO CC(C)C[N@H+](CC(=O)Nc1sccc1C#N)Cc1cnn(C)c1 ZINC000459594304 245181988 /nfs/dbraw/zinc/18/19/88/245181988.db2.gz KQEZFJQPLGYRJC-UHFFFAOYSA-N 1 2 331.445 2.450 20 30 EEEDLO CC(C)C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1cnn(C)c1 ZINC000459594304 245181992 /nfs/dbraw/zinc/18/19/92/245181992.db2.gz KQEZFJQPLGYRJC-UHFFFAOYSA-N 1 2 331.445 2.450 20 30 EEEDLO C[C@H](O)C[C@H]1COCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000157208858 205179192 /nfs/dbraw/zinc/17/91/92/205179192.db2.gz YHRBRSIYHYJDMU-ZFWWWQNUSA-N 1 2 343.345 2.408 20 30 EEEDLO C[C@H](O)C[C@H]1COCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000157208858 205179196 /nfs/dbraw/zinc/17/91/96/205179196.db2.gz YHRBRSIYHYJDMU-ZFWWWQNUSA-N 1 2 343.345 2.408 20 30 EEEDLO C[C@@H]1CCN(CC(=O)Nc2sccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000129748213 205209040 /nfs/dbraw/zinc/20/90/40/205209040.db2.gz BVZQWEUFMQACIE-OCCSQVGLSA-N 1 2 329.429 2.338 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247280359 205275855 /nfs/dbraw/zinc/27/58/55/205275855.db2.gz STVWVRHUMMFTNJ-JENIJYKNSA-N 1 2 328.412 2.399 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247280359 205275858 /nfs/dbraw/zinc/27/58/58/205275858.db2.gz STVWVRHUMMFTNJ-JENIJYKNSA-N 1 2 328.412 2.399 20 30 EEEDLO C=CCOc1ccc(/C=C\C(=O)NCc2[nH+]ccn2C)cc1OC ZINC000491465169 246040258 /nfs/dbraw/zinc/04/02/58/246040258.db2.gz PUYAAMMMFYKERE-VURMDHGXSA-N 1 2 327.384 2.323 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(-n3cncn3)c(F)c2)n1 ZINC000491616578 246083089 /nfs/dbraw/zinc/08/30/89/246083089.db2.gz BIIYFQOMFPOBBO-UHFFFAOYSA-N 1 2 338.390 2.258 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(-n3cncn3)c(F)c2)n1 ZINC000491616578 246083096 /nfs/dbraw/zinc/08/30/96/246083096.db2.gz BIIYFQOMFPOBBO-UHFFFAOYSA-N 1 2 338.390 2.258 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(C#N)c(OC)c2)n1 ZINC000491735901 246130858 /nfs/dbraw/zinc/13/08/58/246130858.db2.gz UHSBWJGBKXHDMK-UHFFFAOYSA-N 1 2 338.411 2.045 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(C#N)c(OC)c2)n1 ZINC000491735901 246130865 /nfs/dbraw/zinc/13/08/65/246130865.db2.gz UHSBWJGBKXHDMK-UHFFFAOYSA-N 1 2 338.411 2.045 20 30 EEEDLO CCc1nnc(N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)c(C#N)c1CC ZINC000530480213 269681298 /nfs/dbraw/zinc/68/12/98/269681298.db2.gz DYFARXCSJOVYBV-MRXNPFEDSA-N 1 2 339.447 2.079 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176420831 207224942 /nfs/dbraw/zinc/22/49/42/207224942.db2.gz ACUUBHQVFHPLFR-UHFFFAOYSA-N 1 2 330.413 2.124 20 30 EEEDLO CC(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177058475 207288871 /nfs/dbraw/zinc/28/88/71/207288871.db2.gz SKASYSLSALRINQ-CQSZACIVSA-N 1 2 348.472 2.023 20 30 EEEDLO CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177058475 207288877 /nfs/dbraw/zinc/28/88/77/207288877.db2.gz SKASYSLSALRINQ-CQSZACIVSA-N 1 2 348.472 2.023 20 30 EEEDLO C[C@@H]1C[NH+]=C(N2CCN(c3snc(Cl)c3C#N)CC2)S1 ZINC000267217446 256038951 /nfs/dbraw/zinc/03/89/51/256038951.db2.gz NBWPJWKHKOOWTB-MRVPVSSYSA-N 1 2 327.866 2.281 20 30 EEEDLO Cc1ccc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(C)[nH+]1 ZINC000268021827 256105268 /nfs/dbraw/zinc/10/52/68/256105268.db2.gz KJZDWIYYVZWOEQ-UHFFFAOYSA-N 1 2 336.399 2.319 20 30 EEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000491370794 533285439 /nfs/dbraw/zinc/28/54/39/533285439.db2.gz BBEQGDDVPXKBSH-JTQLQIEISA-N 1 2 342.180 2.183 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000491370794 533285448 /nfs/dbraw/zinc/28/54/48/533285448.db2.gz 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462646660 /nfs/dbraw/zinc/64/66/60/462646660.db2.gz IPQFVDOCOQBOFQ-SOUVJXGZSA-N 1 2 337.464 2.151 20 30 EEEDLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000007436948 462735912 /nfs/dbraw/zinc/73/59/12/462735912.db2.gz DZRHVDHOXNQHEK-ZDUSSCGKSA-N 1 2 349.818 2.425 20 30 EEEDLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000007436948 462735915 /nfs/dbraw/zinc/73/59/15/462735915.db2.gz DZRHVDHOXNQHEK-ZDUSSCGKSA-N 1 2 349.818 2.425 20 30 EEEDLO CCCOc1ccc(C[N@H+](CCC#N)CCN2CCOCC2)c(O)c1 ZINC000154779093 462807197 /nfs/dbraw/zinc/80/71/97/462807197.db2.gz OIROTMSXVHGABY-UHFFFAOYSA-N 1 2 347.459 2.229 20 30 EEEDLO CCCOc1ccc(C[N@@H+](CCC#N)CCN2CCOCC2)c(O)c1 ZINC000154779093 462807203 /nfs/dbraw/zinc/80/72/03/462807203.db2.gz OIROTMSXVHGABY-UHFFFAOYSA-N 1 2 347.459 2.229 20 30 EEEDLO C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000132371184 462852292 /nfs/dbraw/zinc/85/22/92/462852292.db2.gz FYSFOKKHDLSKJD-LLVKDONJSA-N 1 2 339.399 2.150 20 30 EEEDLO CN(CC[N@H+](C)CC(=O)Nc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000091767389 462905796 /nfs/dbraw/zinc/90/57/96/462905796.db2.gz QRDQSZYMEDCEDI-UHFFFAOYSA-N 1 2 346.431 2.295 20 30 EEEDLO CN(CC[N@@H+](C)CC(=O)Nc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000091767389 462905801 /nfs/dbraw/zinc/90/58/01/462905801.db2.gz QRDQSZYMEDCEDI-UHFFFAOYSA-N 1 2 346.431 2.295 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1nc2ccccc2o1 ZINC000155599637 462915582 /nfs/dbraw/zinc/91/55/82/462915582.db2.gz QTQBYWZMPNGKBR-CYBMUJFWSA-N 1 2 334.383 2.200 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1nc2ccccc2o1 ZINC000155599637 462915584 /nfs/dbraw/zinc/91/55/84/462915584.db2.gz QTQBYWZMPNGKBR-CYBMUJFWSA-N 1 2 334.383 2.200 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)cc1Cl ZINC000092067695 462924393 /nfs/dbraw/zinc/92/43/93/462924393.db2.gz VIPTZVGQKVFAIN-CYBMUJFWSA-N 1 2 344.864 2.028 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)cc1Cl ZINC000092067695 462924400 /nfs/dbraw/zinc/92/44/00/462924400.db2.gz VIPTZVGQKVFAIN-CYBMUJFWSA-N 1 2 344.864 2.028 20 30 EEEDLO COc1ccccc1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000017843016 463002487 /nfs/dbraw/zinc/00/24/87/463002487.db2.gz UKCOGKGOTIVUPL-UHFFFAOYSA-N 1 2 349.434 2.454 20 30 EEEDLO C[C@@H]1[C@H](O)CC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000590762464 468331595 /nfs/dbraw/zinc/33/15/95/468331595.db2.gz YTEIQEMIEYXPKQ-BXUZGUMPSA-N 1 2 333.457 2.282 20 30 EEEDLO C[C@@H]1[C@H](O)CC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000590762464 468331600 /nfs/dbraw/zinc/33/16/00/468331600.db2.gz YTEIQEMIEYXPKQ-BXUZGUMPSA-N 1 2 333.457 2.282 20 30 EEEDLO Cc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc(C)c1F ZINC000120847030 463046894 /nfs/dbraw/zinc/04/68/94/463046894.db2.gz BGSGCPIWSNDYMQ-UHFFFAOYSA-N 1 2 333.407 2.131 20 30 EEEDLO C[C@H]1CCCCN1C(=O)CN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000023057652 463060326 /nfs/dbraw/zinc/06/03/26/463060326.db2.gz JUHGKCNDIPFCCG-KRWDZBQOSA-N 1 2 340.471 2.077 20 30 EEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC000023057652 463060331 /nfs/dbraw/zinc/06/03/31/463060331.db2.gz JUHGKCNDIPFCCG-KRWDZBQOSA-N 1 2 340.471 2.077 20 30 EEEDLO CC(C)CNC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000121139953 463086170 /nfs/dbraw/zinc/08/61/70/463086170.db2.gz RKCAMCUZLHOVKA-WMZOPIPTSA-N 1 2 328.460 2.030 20 30 EEEDLO NC(CCO)=[NH+]OCC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000121378660 463125240 /nfs/dbraw/zinc/12/52/40/463125240.db2.gz OZZYENRLYRFUBD-GOSISDBHSA-N 1 2 333.432 2.095 20 30 EEEDLO CC[C@@H](C)[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC(=O)OC(C)(C)C ZINC000136342518 463236354 /nfs/dbraw/zinc/23/63/54/463236354.db2.gz NZXCMQGNQZDFBP-KDOFPFPSSA-N 1 2 339.480 2.483 20 30 EEEDLO CC[C@@H](C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC(=O)OC(C)(C)C ZINC000136342518 463236360 /nfs/dbraw/zinc/23/63/60/463236360.db2.gz NZXCMQGNQZDFBP-KDOFPFPSSA-N 1 2 339.480 2.483 20 30 EEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000158797470 463252233 /nfs/dbraw/zinc/25/22/33/463252233.db2.gz BIBYAZPCLSOHMS-PZJWPPBQSA-N 1 2 347.418 2.259 20 30 EEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000158797470 463252239 /nfs/dbraw/zinc/25/22/39/463252239.db2.gz BIBYAZPCLSOHMS-PZJWPPBQSA-N 1 2 347.418 2.259 20 30 EEEDLO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445539 463257056 /nfs/dbraw/zinc/25/70/56/463257056.db2.gz JJPWJNFHBDKEFE-MRXNPFEDSA-N 1 2 349.438 2.411 20 30 EEEDLO C#CCSCCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159226459 463274798 /nfs/dbraw/zinc/27/47/98/463274798.db2.gz MPYRLMXUELBSSL-UHFFFAOYSA-N 1 2 344.440 2.450 20 30 EEEDLO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029859750 463276782 /nfs/dbraw/zinc/27/67/82/463276782.db2.gz RLPCYRFNNUUYHB-KBPBESRZSA-N 1 2 332.423 2.123 20 30 EEEDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000123500240 463346838 /nfs/dbraw/zinc/34/68/38/463346838.db2.gz IWTIKCRVGAJYFN-OAHLLOKOSA-N 1 2 335.407 2.458 20 30 EEEDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000123500240 463346843 /nfs/dbraw/zinc/34/68/43/463346843.db2.gz IWTIKCRVGAJYFN-OAHLLOKOSA-N 1 2 335.407 2.458 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000039304004 463450164 /nfs/dbraw/zinc/45/01/64/463450164.db2.gz TYGFJCBAXJVHKU-UHFFFAOYSA-N 1 2 342.424 2.497 20 30 EEEDLO C[C@H]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000151232443 463496916 /nfs/dbraw/zinc/49/69/16/463496916.db2.gz HPDHRBIKGXECGI-YOEHRIQHSA-N 1 2 344.440 2.168 20 30 EEEDLO CN(C)C(=O)c1ccc(CNc2[nH+]cccc2OCCCC#N)[nH]1 ZINC000162269576 463497210 /nfs/dbraw/zinc/49/72/10/463497210.db2.gz PVTOQQLDNLGLOU-UHFFFAOYSA-N 1 2 327.388 2.406 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ccccc2OCC)CC1 ZINC000072553120 463519161 /nfs/dbraw/zinc/51/91/61/463519161.db2.gz JHWHGHYWSPEGPH-UHFFFAOYSA-N 1 2 343.471 2.408 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)cn1)c1cccc(F)c1 ZINC000107438640 463570319 /nfs/dbraw/zinc/57/03/19/463570319.db2.gz BZCGVGLYCRSDMS-MRXNPFEDSA-N 1 2 335.342 2.345 20 30 EEEDLO CCN(C(=O)CO[NH+]=C(N)Cc1csc(C)n1)c1ccccc1 ZINC000177560263 463737458 /nfs/dbraw/zinc/73/74/58/463737458.db2.gz YIWHFHZGZKRMHA-UHFFFAOYSA-N 1 2 332.429 2.336 20 30 EEEDLO C[C@@H]([NH2+][C@H](C)c1nc(Cc2ccccc2)no1)C(=O)N(C)CCC#N ZINC000185401523 463816386 /nfs/dbraw/zinc/81/63/86/463816386.db2.gz KIGYSFUICKPKPZ-ZIAGYGMSSA-N 1 2 341.415 2.072 20 30 EEEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C3OCCO3)CC2)c(C#N)c1C ZINC000171238703 463822748 /nfs/dbraw/zinc/82/27/48/463822748.db2.gz VZTQATLQOYZULH-LBPRGKRZSA-N 1 2 347.415 2.180 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@]1=O ZINC000277126669 463882972 /nfs/dbraw/zinc/88/29/72/463882972.db2.gz IDSRHLDCRKTVSS-LFPIHBKWSA-N 1 2 342.468 2.302 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@]1=O ZINC000277126669 463882976 /nfs/dbraw/zinc/88/29/76/463882976.db2.gz IDSRHLDCRKTVSS-LFPIHBKWSA-N 1 2 342.468 2.302 20 30 EEEDLO COC(=O)c1ccc2c(c1)nc(C[NH+]1CCC(CC#N)CC1)[nH]c2=O ZINC000541953634 468383106 /nfs/dbraw/zinc/38/31/06/468383106.db2.gz PEHUVSDVXOLWDR-UHFFFAOYSA-N 1 2 340.383 2.248 20 30 EEEDLO CN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000283457915 463891409 /nfs/dbraw/zinc/89/14/09/463891409.db2.gz ZZIBYKREZPPNSB-UHFFFAOYSA-N 1 2 339.399 2.073 20 30 EEEDLO C=CCSCCNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000194633847 463899394 /nfs/dbraw/zinc/89/93/94/463899394.db2.gz KQCMPLHFEOHOCJ-UHFFFAOYSA-N 1 2 349.500 2.312 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccnc(Cl)c1Cl ZINC000278965597 464016059 /nfs/dbraw/zinc/01/60/59/464016059.db2.gz OBUOTTUVVQAPEJ-UHFFFAOYSA-N 1 2 343.258 2.436 20 30 EEEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H](CO)c2ccccc2)c(C#N)c1C ZINC000269620154 464036833 /nfs/dbraw/zinc/03/68/33/464036833.db2.gz UEFAWRRKXDKLNZ-INIZCTEOSA-N 1 2 327.384 2.372 20 30 EEEDLO Cc1oc(NC(=O)C[N@H+](C)[C@@H](CO)c2ccccc2)c(C#N)c1C ZINC000269620154 464036837 /nfs/dbraw/zinc/03/68/37/464036837.db2.gz UEFAWRRKXDKLNZ-INIZCTEOSA-N 1 2 327.384 2.372 20 30 EEEDLO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+](CCCCC#N)CC2)c1 ZINC000198668062 464091983 /nfs/dbraw/zinc/09/19/83/464091983.db2.gz LFTVXIGCUHJRFZ-UHFFFAOYSA-N 1 2 335.473 2.304 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)ccc1F ZINC000279381837 464095819 /nfs/dbraw/zinc/09/58/19/464095819.db2.gz HYEKGAUHXFLGNZ-UHFFFAOYSA-N 1 2 339.370 2.361 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279841660 464155190 /nfs/dbraw/zinc/15/51/90/464155190.db2.gz RPXBIWCYRLZSSN-CABCVRRESA-N 1 2 343.427 2.155 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279841660 464155192 /nfs/dbraw/zinc/15/51/92/464155192.db2.gz RPXBIWCYRLZSSN-CABCVRRESA-N 1 2 343.427 2.155 20 30 EEEDLO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(C#N)c(O)c3)sc2C1 ZINC000188233731 464231119 /nfs/dbraw/zinc/23/11/19/464231119.db2.gz MEOPIGBRTRGXHG-UHFFFAOYSA-N 1 2 328.397 2.351 20 30 EEEDLO CC[N@H+]1CCc2nc(NC(=O)c3ccc(C#N)c(O)c3)sc2C1 ZINC000188233731 464231126 /nfs/dbraw/zinc/23/11/26/464231126.db2.gz MEOPIGBRTRGXHG-UHFFFAOYSA-N 1 2 328.397 2.351 20 30 EEEDLO C[C@H]([C@H](C)NC(=O)Nc1ccccc1O[C@@H](C)C#N)[NH+]1CCOCC1 ZINC000180093961 464239922 /nfs/dbraw/zinc/23/99/22/464239922.db2.gz BCEGQGICAGIUPU-SOUVJXGZSA-N 1 2 346.431 2.208 20 30 EEEDLO COc1ccc(Br)cc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284605879 464260398 /nfs/dbraw/zinc/26/03/98/464260398.db2.gz YRMQTFMFCYZHCM-GFCCVEGCSA-N 1 2 329.194 2.426 20 30 EEEDLO C[C@@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1ccc(C#N)cc1 ZINC000271641538 464349222 /nfs/dbraw/zinc/34/92/22/464349222.db2.gz HAEPKNJTGKFNKJ-GFCCVEGCSA-N 1 2 328.441 2.496 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nc3ccc(Cl)cc3n2C)C1=O ZINC000281206622 464371076 /nfs/dbraw/zinc/37/10/76/464371076.db2.gz JKDYZOPARMDZFM-CQSZACIVSA-N 1 2 332.835 2.445 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nc3ccc(Cl)cc3n2C)C1=O ZINC000281206622 464371083 /nfs/dbraw/zinc/37/10/83/464371083.db2.gz JKDYZOPARMDZFM-CQSZACIVSA-N 1 2 332.835 2.445 20 30 EEEDLO N#CC1(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CCOCC1 ZINC000188892386 464389591 /nfs/dbraw/zinc/38/95/91/464389591.db2.gz RWOXKXSLGQSKSL-UHFFFAOYSA-N 1 2 347.846 2.135 20 30 EEEDLO N#CC1(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CCOCC1 ZINC000188892386 464389597 /nfs/dbraw/zinc/38/95/97/464389597.db2.gz RWOXKXSLGQSKSL-UHFFFAOYSA-N 1 2 347.846 2.135 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(C)cc2F)C1=O ZINC000281314866 464411881 /nfs/dbraw/zinc/41/18/81/464411881.db2.gz KURGCGPOIIIDQE-CJNGLKHVSA-N 1 2 333.407 2.180 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(C)cc2F)C1=O ZINC000281314866 464411885 /nfs/dbraw/zinc/41/18/85/464411885.db2.gz KURGCGPOIIIDQE-CJNGLKHVSA-N 1 2 333.407 2.180 20 30 EEEDLO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@H](O)C(F)(F)F ZINC000189518782 464524379 /nfs/dbraw/zinc/52/43/79/464524379.db2.gz NFNXZNIFFQXHNW-LBPRGKRZSA-N 1 2 349.740 2.395 20 30 EEEDLO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@H](O)C(F)(F)F ZINC000189518782 464524383 /nfs/dbraw/zinc/52/43/83/464524383.db2.gz NFNXZNIFFQXHNW-LBPRGKRZSA-N 1 2 349.740 2.395 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175398219 464540942 /nfs/dbraw/zinc/54/09/42/464540942.db2.gz VXFOGXXRHNJLJC-PSLXWICFSA-N 1 2 335.473 2.179 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175398219 464540948 /nfs/dbraw/zinc/54/09/48/464540948.db2.gz VXFOGXXRHNJLJC-PSLXWICFSA-N 1 2 335.473 2.179 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(c2nc3ccccn3c2C#N)CC1 ZINC000272789702 464688663 /nfs/dbraw/zinc/68/86/63/464688663.db2.gz CCCUKJZXEGFICZ-UHFFFAOYSA-N 1 2 336.399 2.133 20 30 EEEDLO COc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C)cc1 ZINC000266195250 464767108 /nfs/dbraw/zinc/76/71/08/464767108.db2.gz JWRYMJDEAFQRKR-STQMWFEESA-N 1 2 337.420 2.372 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000298718206 465482282 /nfs/dbraw/zinc/48/22/82/465482282.db2.gz CSLSMVVSICCSIQ-GXTWGEPZSA-N 1 2 349.431 2.036 20 30 EEEDLO Cc1nc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cs1 ZINC000192245439 464893536 /nfs/dbraw/zinc/89/35/36/464893536.db2.gz VDMLLFHMSHPVCS-INIZCTEOSA-N 1 2 326.425 2.214 20 30 EEEDLO Cc1nc([C@H]2CCCN2C(=O)NCc2ccc(N(C)C)[nH+]c2)no1 ZINC000329394033 465319935 /nfs/dbraw/zinc/31/99/35/465319935.db2.gz SRUJCZPOFVSFPP-CYBMUJFWSA-N 1 2 330.392 2.090 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000329592896 465381036 /nfs/dbraw/zinc/38/10/36/465381036.db2.gz CABORFKDQQMTRT-RHSMWYFYSA-N 1 2 344.390 2.394 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000329592896 465381042 /nfs/dbraw/zinc/38/10/42/465381042.db2.gz CABORFKDQQMTRT-RHSMWYFYSA-N 1 2 344.390 2.394 20 30 EEEDLO Cc1ccc(NC(=O)CN2CCN(C)[C@H](c3[nH+]ccn3C)C2)c(F)c1 ZINC000329892570 465463875 /nfs/dbraw/zinc/46/38/75/465463875.db2.gz ACXWHQPFAHTPTF-INIZCTEOSA-N 1 2 345.422 2.444 20 30 EEEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)N[C@H]1CCOc3ccccc31)CCO2 ZINC000329924791 465475490 /nfs/dbraw/zinc/47/54/90/465475490.db2.gz HVTXUORSMDLVFT-QOKNQOGYSA-N 1 2 346.427 2.347 20 30 EEEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)N[C@H]1CCOc3ccccc31)CCO2 ZINC000329924791 465475493 /nfs/dbraw/zinc/47/54/93/465475493.db2.gz HVTXUORSMDLVFT-QOKNQOGYSA-N 1 2 346.427 2.347 20 30 EEEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+][C@H]1CCOC2(CCCC2)C1 ZINC000329939040 465480545 /nfs/dbraw/zinc/48/05/45/465480545.db2.gz FITHXLXWRVPNPG-GJZGRUSLSA-N 1 2 332.448 2.441 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)[C@H](C)C1 ZINC000329969782 465492207 /nfs/dbraw/zinc/49/22/07/465492207.db2.gz UPSREWJEXJSTJX-WCVJEAGWSA-N 1 2 333.480 2.447 20 30 EEEDLO CC(C)Oc1ccc(CCNC(=O)C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352451073 465529727 /nfs/dbraw/zinc/52/97/27/465529727.db2.gz UXXAXWJKBVJGIG-UHFFFAOYSA-N 1 2 347.434 2.460 20 30 EEEDLO C[C@@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)C[C@]2(CCCOC2)O1 ZINC000330121392 465539589 /nfs/dbraw/zinc/53/95/89/465539589.db2.gz JOFVPQBJTDKYJA-KDOFPFPSSA-N 1 2 344.415 2.018 20 30 EEEDLO CC(C)(C#N)CC[N@@H+]1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 ZINC000348320222 465549384 /nfs/dbraw/zinc/54/93/84/465549384.db2.gz NJKLSUYBHZFNFJ-CQSZACIVSA-N 1 2 326.400 2.111 20 30 EEEDLO CC(C)(C#N)CC[N@H+]1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 ZINC000348320222 465549388 /nfs/dbraw/zinc/54/93/88/465549388.db2.gz NJKLSUYBHZFNFJ-CQSZACIVSA-N 1 2 326.400 2.111 20 30 EEEDLO N#CCCn1cc(C(=O)C[N@H+]2CCSC[C@@H]2CO)c2ccccc21 ZINC000343759768 465550758 /nfs/dbraw/zinc/55/07/58/465550758.db2.gz IMXWFEUJVZKVRV-AWEZNQCLSA-N 1 2 343.452 2.147 20 30 EEEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCSC[C@@H]2CO)c2ccccc21 ZINC000343759768 465550764 /nfs/dbraw/zinc/55/07/64/465550764.db2.gz IMXWFEUJVZKVRV-AWEZNQCLSA-N 1 2 343.452 2.147 20 30 EEEDLO O=C(NCCNc1cccc[nH+]1)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000330218227 465573314 /nfs/dbraw/zinc/57/33/14/465573314.db2.gz JDECJPXHYYCEDV-CJNGLKHVSA-N 1 2 336.461 2.052 20 30 EEEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000593951704 468442299 /nfs/dbraw/zinc/44/22/99/468442299.db2.gz PXTIBZDGMBEOKK-QGZVFWFLSA-N 1 2 348.450 2.476 20 30 EEEDLO CCc1nc(CNC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cs1 ZINC000330338463 465620744 /nfs/dbraw/zinc/62/07/44/465620744.db2.gz VKXMYGXKDQHQME-RISCZKNCSA-N 1 2 349.460 2.363 20 30 EEEDLO C=CCSc1ccccc1C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000362399826 465707216 /nfs/dbraw/zinc/70/72/16/465707216.db2.gz DCRNDWQYBBCUGO-OAHLLOKOSA-N 1 2 333.501 2.330 20 30 EEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)NCC1CCOCC1 ZINC000330630196 465739134 /nfs/dbraw/zinc/73/91/34/465739134.db2.gz CJCXLZYYGZQUCG-UHFFFAOYSA-N 1 2 334.342 2.218 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000299549981 465796208 /nfs/dbraw/zinc/79/62/08/465796208.db2.gz SGGYABKCGORLNK-QZTJIDSGSA-N 1 2 345.418 2.004 20 30 EEEDLO CC[N@@H+](C[C@H](C)C#N)C[C@H](O)COc1ccc(C(C)=O)cc1OC ZINC000353330735 465804815 /nfs/dbraw/zinc/80/48/15/465804815.db2.gz OWAXXNYKGIKQQC-CJNGLKHVSA-N 1 2 334.416 2.119 20 30 EEEDLO CC[N@H+](C[C@H](C)C#N)C[C@H](O)COc1ccc(C(C)=O)cc1OC ZINC000353330735 465804826 /nfs/dbraw/zinc/80/48/26/465804826.db2.gz OWAXXNYKGIKQQC-CJNGLKHVSA-N 1 2 334.416 2.119 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000569224521 468459307 /nfs/dbraw/zinc/45/93/07/468459307.db2.gz BFULWFWWIBEIQB-KRWDZBQOSA-N 1 2 346.818 2.498 20 30 EEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000301107630 465903817 /nfs/dbraw/zinc/90/38/17/465903817.db2.gz SQEYYFPTCNIIAI-INIZCTEOSA-N 1 2 326.444 2.081 20 30 EEEDLO CCc1nc(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)sc1C ZINC000331084587 465925514 /nfs/dbraw/zinc/92/55/14/465925514.db2.gz QECMBMYYWYCVRB-UHFFFAOYSA-N 1 2 339.465 2.491 20 30 EEEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000331330204 466034599 /nfs/dbraw/zinc/03/45/99/466034599.db2.gz QWLKDUWMIJSQMX-OFQRWUPVSA-N 1 2 333.432 2.195 20 30 EEEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000331330204 466034604 /nfs/dbraw/zinc/03/46/04/466034604.db2.gz QWLKDUWMIJSQMX-OFQRWUPVSA-N 1 2 333.432 2.195 20 30 EEEDLO CCN(C)c1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cn1 ZINC000361502247 466051920 /nfs/dbraw/zinc/05/19/20/466051920.db2.gz VTFJVBVEOAWSPL-UHFFFAOYSA-N 1 2 336.443 2.127 20 30 EEEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCOCC3(CCC3)C2)C1=O ZINC000371889558 466053914 /nfs/dbraw/zinc/05/39/14/466053914.db2.gz YPWMOFCPILZZLH-CQSZACIVSA-N 1 2 331.441 2.228 20 30 EEEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCOCC3(CCC3)C2)C1=O ZINC000371889558 466053920 /nfs/dbraw/zinc/05/39/20/466053920.db2.gz YPWMOFCPILZZLH-CQSZACIVSA-N 1 2 331.441 2.228 20 30 EEEDLO C#CCN(CC#N)C(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000367200279 466186672 /nfs/dbraw/zinc/18/66/72/466186672.db2.gz NXPCAGWNQWCAHE-UHFFFAOYSA-N 1 2 332.407 2.212 20 30 EEEDLO C#CCN(CC#N)C(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000367200279 466186675 /nfs/dbraw/zinc/18/66/75/466186675.db2.gz NXPCAGWNQWCAHE-UHFFFAOYSA-N 1 2 332.407 2.212 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(F)cc1Br ZINC000581047189 468487015 /nfs/dbraw/zinc/48/70/15/468487015.db2.gz PAEXARDBMLJZMN-ZDUSSCGKSA-N 1 2 328.185 2.162 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000581114244 468487998 /nfs/dbraw/zinc/48/79/98/468487998.db2.gz IEHCQKFAXNOSEZ-SJORKVTESA-N 1 2 326.400 2.405 20 30 EEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1 ZINC000361996602 466469524 /nfs/dbraw/zinc/46/95/24/466469524.db2.gz PQHQCCYJJHNAOU-UHFFFAOYSA-N 1 2 343.431 2.161 20 30 EEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1 ZINC000361996602 466469531 /nfs/dbraw/zinc/46/95/31/466469531.db2.gz PQHQCCYJJHNAOU-UHFFFAOYSA-N 1 2 343.431 2.161 20 30 EEEDLO C#CCOc1ccccc1C[NH2+][C@H]1CS(=O)(=O)c2ccccc21 ZINC000367704629 466505395 /nfs/dbraw/zinc/50/53/95/466505395.db2.gz PGSGWYWFEZYIOM-INIZCTEOSA-N 1 2 327.405 2.317 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000332448320 466543813 /nfs/dbraw/zinc/54/38/13/466543813.db2.gz DPYHFMDVFIUNFV-AWEZNQCLSA-N 1 2 327.428 2.481 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000332448320 466543819 /nfs/dbraw/zinc/54/38/19/466543819.db2.gz DPYHFMDVFIUNFV-AWEZNQCLSA-N 1 2 327.428 2.481 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NCCCCn2cc[nH+]c2)c(Cl)c1 ZINC000317370271 466579689 /nfs/dbraw/zinc/57/96/89/466579689.db2.gz GFTNXDCOWJRBTL-UHFFFAOYSA-N 1 2 338.820 2.167 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000333379962 466617240 /nfs/dbraw/zinc/61/72/40/466617240.db2.gz AQZKCCVZAJMXQN-BQFCYCMXSA-N 1 2 346.475 2.365 20 30 EEEDLO Cc1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)ncc1C#N ZINC000333624596 466626216 /nfs/dbraw/zinc/62/62/16/466626216.db2.gz FRDSSIBDYFJIPS-DZGCQCFKSA-N 1 2 325.372 2.238 20 30 EEEDLO Cc1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)ncc1C#N ZINC000333624596 466626221 /nfs/dbraw/zinc/62/62/21/466626221.db2.gz FRDSSIBDYFJIPS-DZGCQCFKSA-N 1 2 325.372 2.238 20 30 EEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000373388968 466789438 /nfs/dbraw/zinc/78/94/38/466789438.db2.gz AOBLPIHEDDCVDU-GFCCVEGCSA-N 1 2 336.804 2.461 20 30 EEEDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000370369015 466852207 /nfs/dbraw/zinc/85/22/07/466852207.db2.gz ZDBCTHOPXFODRD-ZWKOTPCHSA-N 1 2 345.443 2.189 20 30 EEEDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000370369015 466852208 /nfs/dbraw/zinc/85/22/08/466852208.db2.gz ZDBCTHOPXFODRD-ZWKOTPCHSA-N 1 2 345.443 2.189 20 30 EEEDLO Cc1cc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)nn1CCC#N ZINC000425227821 467089011 /nfs/dbraw/zinc/08/90/11/467089011.db2.gz JGQNGSGTQFBWJW-INIZCTEOSA-N 1 2 348.410 2.989 20 30 EEEDLO Cc1cc(N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)c(C#N)c[nH+]1 ZINC000425240583 467089752 /nfs/dbraw/zinc/08/97/52/467089752.db2.gz YRKSXZYGUMPSHE-LMMKCTJWSA-N 1 2 332.407 2.253 20 30 EEEDLO CCN1CCN(c2c(C#N)cccc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000425265140 467090532 /nfs/dbraw/zinc/09/05/32/467090532.db2.gz ZBDLIUWHPFXESR-AWEZNQCLSA-N 1 2 326.360 2.073 20 30 EEEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000425456218 467094325 /nfs/dbraw/zinc/09/43/25/467094325.db2.gz WCNANYHVPHAQTQ-OAHLLOKOSA-N 1 2 344.459 2.371 20 30 EEEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000425456218 467094329 /nfs/dbraw/zinc/09/43/29/467094329.db2.gz WCNANYHVPHAQTQ-OAHLLOKOSA-N 1 2 344.459 2.371 20 30 EEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000413111355 467171739 /nfs/dbraw/zinc/17/17/39/467171739.db2.gz TYBPZJLIVSFLRX-SJLPKXTDSA-N 1 2 331.460 2.194 20 30 EEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000413111352 467171875 /nfs/dbraw/zinc/17/18/75/467171875.db2.gz TYBPZJLIVSFLRX-FUHWJXTLSA-N 1 2 331.460 2.194 20 30 EEEDLO N#Cc1cccc(OCCCCC(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000427992416 467192112 /nfs/dbraw/zinc/19/21/12/467192112.db2.gz MARPLDUWOFKPMD-INIZCTEOSA-N 1 2 338.411 2.435 20 30 EEEDLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433296786 467315461 /nfs/dbraw/zinc/31/54/61/467315461.db2.gz JISWROSJAJVDGS-UHFFFAOYSA-N 1 2 345.443 2.288 20 30 EEEDLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433296786 467315462 /nfs/dbraw/zinc/31/54/62/467315462.db2.gz JISWROSJAJVDGS-UHFFFAOYSA-N 1 2 345.443 2.288 20 30 EEEDLO Cc1nnc(SC[C@@H](O)C[N@H+](C)CCC#N)n1-c1ccccc1C ZINC000414092833 467376765 /nfs/dbraw/zinc/37/67/65/467376765.db2.gz GVWDXUNMFLDGQL-HNNXBMFYSA-N 1 2 345.472 2.183 20 30 EEEDLO Cc1nnc(SC[C@@H](O)C[N@@H+](C)CCC#N)n1-c1ccccc1C ZINC000414092833 467376768 /nfs/dbraw/zinc/37/67/68/467376768.db2.gz GVWDXUNMFLDGQL-HNNXBMFYSA-N 1 2 345.472 2.183 20 30 EEEDLO C=CCn1c(SC[C@H](O)C[N@H+](C)CCC#N)nnc1-c1ccco1 ZINC000414110684 467377983 /nfs/dbraw/zinc/37/79/83/467377983.db2.gz OLAYXTSZRVIPAP-CYBMUJFWSA-N 1 2 347.444 2.023 20 30 EEEDLO C=CCn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccco1 ZINC000414110684 467377987 /nfs/dbraw/zinc/37/79/87/467377987.db2.gz OLAYXTSZRVIPAP-CYBMUJFWSA-N 1 2 347.444 2.023 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)COc1c(F)cc(F)cc1Br ZINC000414136685 467382066 /nfs/dbraw/zinc/38/20/66/467382066.db2.gz DMVJGRWIEKTZJS-JTQLQIEISA-N 1 2 349.175 2.312 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1c(F)cc(F)cc1Br ZINC000414136685 467382071 /nfs/dbraw/zinc/38/20/71/467382071.db2.gz DMVJGRWIEKTZJS-JTQLQIEISA-N 1 2 349.175 2.312 20 30 EEEDLO N#CCC1(CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000430186179 467406545 /nfs/dbraw/zinc/40/65/45/467406545.db2.gz KIOHGDAXZYKSEG-UHFFFAOYSA-N 1 2 337.427 2.467 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000454325695 467584827 /nfs/dbraw/zinc/58/48/27/467584827.db2.gz QEIGSKOTWKHGPU-CVEARBPZSA-N 1 2 332.448 2.461 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000526059162 467648727 /nfs/dbraw/zinc/64/87/27/467648727.db2.gz GDRLDUYMAGNFIE-LBPRGKRZSA-N 1 2 348.834 2.161 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000526059162 467648733 /nfs/dbraw/zinc/64/87/33/467648733.db2.gz GDRLDUYMAGNFIE-LBPRGKRZSA-N 1 2 348.834 2.161 20 30 EEEDLO N#Cc1cccc(NC(=O)C2CCN(C(=O)/C=C/c3[nH]cc[nH+]3)CC2)c1 ZINC000493681385 467962898 /nfs/dbraw/zinc/96/28/98/467962898.db2.gz GYWYXVWONHULDN-SNAWJCMRSA-N 1 2 349.394 2.172 20 30 EEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000515497062 467995036 /nfs/dbraw/zinc/99/50/36/467995036.db2.gz SASMLOMHGPVINW-LBPRGKRZSA-N 1 2 336.823 2.019 20 30 EEEDLO CCN1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)C[C@H]1c1[nH]cc[nH+]1 ZINC000516147669 468014977 /nfs/dbraw/zinc/01/49/77/468014977.db2.gz WUTQQLHZQHDAMY-KSSFIOAISA-N 1 2 327.432 2.089 20 30 EEEDLO CO[C@H]1C[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H]1OC ZINC000487978581 468064413 /nfs/dbraw/zinc/06/44/13/468064413.db2.gz HCNBXNKOYVELLM-OALUTQOASA-N 1 2 341.411 2.083 20 30 EEEDLO N#CCc1ccnc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000532179708 468102347 /nfs/dbraw/zinc/10/23/47/468102347.db2.gz DILUJLDISUHMQT-UHFFFAOYSA-N 1 2 348.322 2.494 20 30 EEEDLO N#Cc1ncccc1N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000589572618 468163455 /nfs/dbraw/zinc/16/34/55/468163455.db2.gz FFTVPXRLVORPDJ-GOSISDBHSA-N 1 2 342.830 2.462 20 30 EEEDLO Cc1cn(-c2c(F)cccc2F)nc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567356472 468169511 /nfs/dbraw/zinc/16/95/11/468169511.db2.gz MJMHLYLIPQOMAN-KRWDZBQOSA-N 1 2 347.369 2.033 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nc4ccccc4c(=O)[nH]3)C2)nc1 ZINC000590005454 468203018 /nfs/dbraw/zinc/20/30/18/468203018.db2.gz BVUJDRCVSKIFNP-AWEZNQCLSA-N 1 2 347.378 2.255 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nc4ccccc4c(=O)[nH]3)C2)nc1 ZINC000590005454 468203019 /nfs/dbraw/zinc/20/30/19/468203019.db2.gz BVUJDRCVSKIFNP-AWEZNQCLSA-N 1 2 347.378 2.255 20 30 EEEDLO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000590121378 468217500 /nfs/dbraw/zinc/21/75/00/468217500.db2.gz PWOUKXDNFRTFBG-UHFFFAOYSA-N 1 2 329.425 2.146 20 30 EEEDLO Cc1cc(C#N)ccc1C[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000590121378 468217503 /nfs/dbraw/zinc/21/75/03/468217503.db2.gz PWOUKXDNFRTFBG-UHFFFAOYSA-N 1 2 329.425 2.146 20 30 EEEDLO CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)OCc1cc[nH+]c(N)c1 ZINC000496428416 468241604 /nfs/dbraw/zinc/24/16/04/468241604.db2.gz FCWKXTFBBCHDAB-CYBMUJFWSA-N 1 2 348.403 2.294 20 30 EEEDLO CCOc1cccc2[nH]cc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c21 ZINC000582363264 468530309 /nfs/dbraw/zinc/53/03/09/468530309.db2.gz OTYPRCFOVJOYKU-SFHVURJKSA-N 1 2 328.416 2.069 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000592149860 468640059 /nfs/dbraw/zinc/64/00/59/468640059.db2.gz YINFXKXEHSFMLF-UXHICEINSA-N 1 2 341.455 2.385 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000592149860 468640063 /nfs/dbraw/zinc/64/00/63/468640063.db2.gz YINFXKXEHSFMLF-UXHICEINSA-N 1 2 341.455 2.385 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000558453972 468680289 /nfs/dbraw/zinc/68/02/89/468680289.db2.gz XMXUJFWOBNJNOS-OAHLLOKOSA-N 1 2 349.500 2.253 20 30 EEEDLO CC[C@H](C(=O)NCCc1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000597891391 468704556 /nfs/dbraw/zinc/70/45/56/468704556.db2.gz ZYZOQFRJPCZTAR-ZWKOTPCHSA-N 1 2 329.444 2.106 20 30 EEEDLO CC[C@H](C(=O)NCCc1ccc(C#N)cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC000597891391 468704560 /nfs/dbraw/zinc/70/45/60/468704560.db2.gz ZYZOQFRJPCZTAR-ZWKOTPCHSA-N 1 2 329.444 2.106 20 30 EEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000583573417 468719131 /nfs/dbraw/zinc/71/91/31/468719131.db2.gz TZKUFSUWOMUZIE-LBPRGKRZSA-N 1 2 329.322 2.483 20 30 EEEDLO C[C@H]1C[N@H+](CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[C@@H](C)CO1 ZINC000597998708 468735236 /nfs/dbraw/zinc/73/52/36/468735236.db2.gz VJUWBKKPWPHQDS-KBPBESRZSA-N 1 2 347.434 2.200 20 30 EEEDLO C[C@H]1C[N@@H+](CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[C@@H](C)CO1 ZINC000597998708 468735240 /nfs/dbraw/zinc/73/52/40/468735240.db2.gz VJUWBKKPWPHQDS-KBPBESRZSA-N 1 2 347.434 2.200 20 30 EEEDLO Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000571169793 468750785 /nfs/dbraw/zinc/75/07/85/468750785.db2.gz OYHIGGDIKUYFTC-SFHVURJKSA-N 1 2 326.400 2.153 20 30 EEEDLO Cc1noc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1[N+](=O)[O-] ZINC000595294734 468804266 /nfs/dbraw/zinc/80/42/66/468804266.db2.gz DFQDCMNUKKKFNV-UHFFFAOYSA-N 1 2 341.371 2.475 20 30 EEEDLO Cc1noc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1[N+](=O)[O-] ZINC000595294734 468804271 /nfs/dbraw/zinc/80/42/71/468804271.db2.gz DFQDCMNUKKKFNV-UHFFFAOYSA-N 1 2 341.371 2.475 20 30 EEEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000601336451 468831473 /nfs/dbraw/zinc/83/14/73/468831473.db2.gz AIVJKGFCSKKDSS-OAHLLOKOSA-N 1 2 348.403 2.228 20 30 EEEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595615204 468924087 /nfs/dbraw/zinc/92/40/87/468924087.db2.gz KXIOZUSNCBSUEG-ZDUSSCGKSA-N 1 2 328.372 2.110 20 30 EEEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595615204 468924090 /nfs/dbraw/zinc/92/40/90/468924090.db2.gz KXIOZUSNCBSUEG-ZDUSSCGKSA-N 1 2 328.372 2.110 20 30 EEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C1 ZINC000595616155 468924868 /nfs/dbraw/zinc/92/48/68/468924868.db2.gz QPPAOCXLIGXIBO-LBPRGKRZSA-N 1 2 341.394 2.462 20 30 EEEDLO N#CC[C@@H]1CCC[N@H+](Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C1 ZINC000595616155 468924871 /nfs/dbraw/zinc/92/48/71/468924871.db2.gz QPPAOCXLIGXIBO-LBPRGKRZSA-N 1 2 341.394 2.462 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1nnc2ccccn21 ZINC000610432649 468966547 /nfs/dbraw/zinc/96/65/47/468966547.db2.gz JZGPKEDGTZGBJA-UHFFFAOYSA-N 1 2 337.383 2.120 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1nnc2ccccn21 ZINC000610432649 468966551 /nfs/dbraw/zinc/96/65/51/468966551.db2.gz JZGPKEDGTZGBJA-UHFFFAOYSA-N 1 2 337.383 2.120 20 30 EEEDLO CC[C@@H](C#N)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000593536014 469023026 /nfs/dbraw/zinc/02/30/26/469023026.db2.gz UOVDYRVXMAUKDL-AWEZNQCLSA-N 1 2 334.851 2.128 20 30 EEEDLO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)CC#N)cc1OC ZINC000602870814 469131733 /nfs/dbraw/zinc/13/17/33/469131733.db2.gz XKYMZCZNAKSRNH-ZFWWWQNUSA-N 1 2 331.416 2.259 20 30 EEEDLO COc1cc(C#N)ccc1C[NH2+][C@H](c1nccn1C)C(C)(C)CO ZINC000602882730 469140229 /nfs/dbraw/zinc/14/02/29/469140229.db2.gz PDCBFZGLWDNXRO-MRXNPFEDSA-N 1 2 328.416 2.150 20 30 EEEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnnn2-c2ccccc2)CC1 ZINC000588958501 469183280 /nfs/dbraw/zinc/18/32/80/469183280.db2.gz AGIHBCCGOKHKDZ-UHFFFAOYSA-N 1 2 344.422 2.461 20 30 EEEDLO Cc1nc2sccn2c1C[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000563154822 469184512 /nfs/dbraw/zinc/18/45/12/469184512.db2.gz XJSKZSVMJGJDRI-UHFFFAOYSA-N 1 2 337.412 2.251 20 30 EEEDLO Cc1nc2sccn2c1C[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000563154822 469184518 /nfs/dbraw/zinc/18/45/18/469184518.db2.gz XJSKZSVMJGJDRI-UHFFFAOYSA-N 1 2 337.412 2.251 20 30 EEEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1CCOc1ccccc1C#N ZINC000599445032 469260846 /nfs/dbraw/zinc/26/08/46/469260846.db2.gz PGGWPUDSKWEEQQ-LJQANCHMSA-N 1 2 348.410 2.041 20 30 EEEDLO CC[N@H+](C[C@@H](O)COc1ccccc1C#N)[C@H](C)C(=O)OC(C)(C)C ZINC000599467907 469267007 /nfs/dbraw/zinc/26/70/07/469267007.db2.gz ATBSIWGHUXYRBC-GDBMZVCRSA-N 1 2 348.443 2.350 20 30 EEEDLO CC[N@@H+](C[C@@H](O)COc1ccccc1C#N)[C@H](C)C(=O)OC(C)(C)C ZINC000599467907 469267010 /nfs/dbraw/zinc/26/70/10/469267010.db2.gz ATBSIWGHUXYRBC-GDBMZVCRSA-N 1 2 348.443 2.350 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@](F)(C#N)C1)c1cccc(F)c1 ZINC000615578055 469272666 /nfs/dbraw/zinc/27/26/66/469272666.db2.gz UGFYJZHPXKCDLG-YOEHRIQHSA-N 1 2 345.353 2.296 20 30 EEEDLO N#Cc1ccc(CN(CC[NH+]2CCOCC2)c2ccccc2F)nc1 ZINC000599614447 469309960 /nfs/dbraw/zinc/30/99/60/469309960.db2.gz SDXPFKCREFJNLJ-UHFFFAOYSA-N 1 2 340.402 2.431 20 30 EEEDLO COc1ncc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)s1 ZINC000602443959 469319356 /nfs/dbraw/zinc/31/93/56/469319356.db2.gz CNGPCCLLGCHYCA-UHFFFAOYSA-N 1 2 332.404 2.485 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)n1 ZINC000602448545 469320133 /nfs/dbraw/zinc/32/01/33/469320133.db2.gz LSBWFONTMLWKRF-UHFFFAOYSA-N 1 2 326.425 2.363 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)n1 ZINC000602448545 469320138 /nfs/dbraw/zinc/32/01/38/469320138.db2.gz LSBWFONTMLWKRF-UHFFFAOYSA-N 1 2 326.425 2.363 20 30 EEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000599701445 469344038 /nfs/dbraw/zinc/34/40/38/469344038.db2.gz KCYWWFBYEMLLJI-KRWDZBQOSA-N 1 2 342.370 2.332 20 30 EEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCOc2cc(F)ccc2C1 ZINC000599701445 469344039 /nfs/dbraw/zinc/34/40/39/469344039.db2.gz KCYWWFBYEMLLJI-KRWDZBQOSA-N 1 2 342.370 2.332 20 30 EEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1c(C#N)cnn1-c1ccccc1 ZINC000603373794 469366709 /nfs/dbraw/zinc/36/67/09/469366709.db2.gz GEVVFSXGUVLWNG-MAUKXSAKSA-N 1 2 337.427 2.043 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000619717938 469669951 /nfs/dbraw/zinc/66/99/51/469669951.db2.gz AQBXDTRRBVRCQJ-WCQYABFASA-N 1 2 347.333 2.105 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000619717938 469669957 /nfs/dbraw/zinc/66/99/57/469669957.db2.gz AQBXDTRRBVRCQJ-WCQYABFASA-N 1 2 347.333 2.105 20 30 EEEDLO COc1cccc([C@@H](NC(=O)c2ccc(C#N)cn2)c2[nH+]ccn2C)c1 ZINC000609343261 469921604 /nfs/dbraw/zinc/92/16/04/469921604.db2.gz OQCBUEBYDLWKSQ-QGZVFWFLSA-N 1 2 347.378 2.215 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000609537865 469937633 /nfs/dbraw/zinc/93/76/33/469937633.db2.gz GSZSZZKAVWFGEX-GOSISDBHSA-N 1 2 341.459 2.298 20 30 EEEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000610079694 469979445 /nfs/dbraw/zinc/97/94/45/469979445.db2.gz GGJMNJTTWSTWSG-CYBMUJFWSA-N 1 2 327.306 2.150 20 30 EEEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000610079694 469979451 /nfs/dbraw/zinc/97/94/51/469979451.db2.gz GGJMNJTTWSTWSG-CYBMUJFWSA-N 1 2 327.306 2.150 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610135641 469983556 /nfs/dbraw/zinc/98/35/56/469983556.db2.gz JEBZQRZMQCCRGG-OAHLLOKOSA-N 1 2 330.413 2.089 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2cn[nH]c2C)c(OC)c1 ZINC000639966335 470736748 /nfs/dbraw/zinc/73/67/48/470736748.db2.gz ATIPZRBEEBFFNQ-QGZVFWFLSA-N 1 2 345.443 2.327 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)Cc2cn[nH]c2C)c(OC)c1 ZINC000639966335 470736753 /nfs/dbraw/zinc/73/67/53/470736753.db2.gz ATIPZRBEEBFFNQ-QGZVFWFLSA-N 1 2 345.443 2.327 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2cccc(C)c2C)nn1 ZINC000640925928 471122635 /nfs/dbraw/zinc/12/26/35/471122635.db2.gz OHKVPTPCJQKVKG-HNNXBMFYSA-N 1 2 325.416 2.208 20 30 EEEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000658703990 471373179 /nfs/dbraw/zinc/37/31/79/471373179.db2.gz VXQQAHODWKQXPF-BRWVUGGUSA-N 1 2 344.459 2.107 20 30 EEEDLO C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000171749655 526362100 /nfs/dbraw/zinc/36/21/00/526362100.db2.gz JEJTXYPWUKJPFR-INIZCTEOSA-N 1 2 348.466 2.159 20 30 EEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc(OC(F)(F)F)cc1 ZINC000112336210 526690100 /nfs/dbraw/zinc/69/01/00/526690100.db2.gz AAYRRRYQLALSEB-UHFFFAOYSA-N 1 2 333.310 2.289 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171906257 526942541 /nfs/dbraw/zinc/94/25/41/526942541.db2.gz NXNWYMCMEFSZHT-UHFFFAOYSA-N 1 2 347.459 2.161 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171906257 526942547 /nfs/dbraw/zinc/94/25/47/526942547.db2.gz NXNWYMCMEFSZHT-UHFFFAOYSA-N 1 2 347.459 2.161 20 30 EEEDLO CC(C)(CCC#N)CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000350114808 526991528 /nfs/dbraw/zinc/99/15/28/526991528.db2.gz JEXMNXMIKGQSTM-UHFFFAOYSA-N 1 2 345.447 2.047 20 30 EEEDLO CC1(C)C[C@]1(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000291802135 527770113 /nfs/dbraw/zinc/77/01/13/527770113.db2.gz XEWVBCXKRZFCIA-MRXNPFEDSA-N 1 2 325.328 2.203 20 30 EEEDLO CC/C=C/CC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000184431123 528769998 /nfs/dbraw/zinc/76/99/98/528769998.db2.gz WNFITFAXOXEHHZ-ONEGZZNKSA-N 1 2 333.457 2.221 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000733156868 577205568 /nfs/dbraw/zinc/20/55/68/577205568.db2.gz YPVXXNNEWGJTOK-NHYWBVRUSA-N 1 2 330.819 2.491 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000733156868 577205569 /nfs/dbraw/zinc/20/55/69/577205569.db2.gz YPVXXNNEWGJTOK-NHYWBVRUSA-N 1 2 330.819 2.491 20 30 EEEDLO CC[C@H](C#N)Oc1cc(CNC(=O)c2c[nH+]c(C)[nH]2)ccc1OC ZINC000733368016 577226449 /nfs/dbraw/zinc/22/64/49/577226449.db2.gz WPFQTOBVTKBGOW-CYBMUJFWSA-N 1 2 328.372 2.338 20 30 EEEDLO C=CCN1CC(=O)N(c2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1=O ZINC000771997570 577244092 /nfs/dbraw/zinc/24/40/92/577244092.db2.gz IGSTUCHIKALLFC-CQSZACIVSA-N 1 2 329.400 2.034 20 30 EEEDLO Cc1cccc(NC(=O)[C@@H](C#N)C(=O)C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000773972784 577375927 /nfs/dbraw/zinc/37/59/27/577375927.db2.gz ACLXSOLZAALYIO-GJZGRUSLSA-N 1 2 331.441 2.080 20 30 EEEDLO Cc1cccc(NC(=O)[C@@H](C#N)C(=O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000773972784 577375928 /nfs/dbraw/zinc/37/59/28/577375928.db2.gz ACLXSOLZAALYIO-GJZGRUSLSA-N 1 2 331.441 2.080 20 30 EEEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000769466039 577578433 /nfs/dbraw/zinc/57/84/33/577578433.db2.gz GNKQOUMTINUNSR-KRWDZBQOSA-N 1 2 331.412 2.241 20 30 EEEDLO C#CCOc1ccc(C[N@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000769466039 577578434 /nfs/dbraw/zinc/57/84/34/577578434.db2.gz GNKQOUMTINUNSR-KRWDZBQOSA-N 1 2 331.412 2.241 20 30 EEEDLO Cc1ccc2c(C[NH+]3CCN(CCC#N)CC3)cc(=O)oc2c1C ZINC000760943106 577672569 /nfs/dbraw/zinc/67/25/69/577672569.db2.gz HTSGSTXZPIPFER-UHFFFAOYSA-N 1 2 325.412 2.441 20 30 EEEDLO CC(=O)Nc1ccc(C(C)N=Nc2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000761855293 577690219 /nfs/dbraw/zinc/69/02/19/577690219.db2.gz NUQRSUADXQNNGG-UHFFFAOYSA-N 1 2 335.371 2.457 20 30 EEEDLO CCc1ccc(NC(=O)[C@@H](C#N)C(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000753951244 577797174 /nfs/dbraw/zinc/79/71/74/577797174.db2.gz SSHXKBDTDGHUGA-CVEARBPZSA-N 1 2 345.468 2.334 20 30 EEEDLO N#Cc1cc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccn1 ZINC000754721973 577811383 /nfs/dbraw/zinc/81/13/83/577811383.db2.gz MUYHOLFYCIUKAI-UHFFFAOYSA-N 1 2 349.306 2.404 20 30 EEEDLO Cc1ccc2[nH+]cc(CN=Nc3ccccc3S(C)(=O)=O)n2c1 ZINC000755725140 577829950 /nfs/dbraw/zinc/82/99/50/577829950.db2.gz FIGBYGUHDMUBEZ-UHFFFAOYSA-N 1 2 328.397 2.492 20 30 EEEDLO COC(=O)c1cccc(CO[NH+]=C(N)c2ccc(OC)cc2)c1C#N ZINC000755817049 577832262 /nfs/dbraw/zinc/83/22/62/577832262.db2.gz SPWWCQXQTLZEKT-UHFFFAOYSA-N 1 2 339.351 2.191 20 30 EEEDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N(CCC#N)c1ccccc1 ZINC000745085231 577908411 /nfs/dbraw/zinc/90/84/11/577908411.db2.gz FMGLTUVBUDHDAJ-KRWDZBQOSA-N 1 2 343.427 2.351 20 30 EEEDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N(CCC#N)c1ccccc1 ZINC000745085231 577908412 /nfs/dbraw/zinc/90/84/12/577908412.db2.gz FMGLTUVBUDHDAJ-KRWDZBQOSA-N 1 2 343.427 2.351 20 30 EEEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000746677199 577932272 /nfs/dbraw/zinc/93/22/72/577932272.db2.gz CRXNTYRDJOJSTB-INIZCTEOSA-N 1 2 332.400 2.131 20 30 EEEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000746677199 577932273 /nfs/dbraw/zinc/93/22/73/577932273.db2.gz CRXNTYRDJOJSTB-INIZCTEOSA-N 1 2 332.400 2.131 20 30 EEEDLO Cc1ccnc(NCCCNc2[nH+]ccc(C)c2-c2nn[nH]n2)c1C#N ZINC000826313760 609527898 /nfs/dbraw/zinc/52/78/98/609527898.db2.gz SIOSNZSGTXFJQW-UHFFFAOYSA-N 1 2 349.402 2.059 20 30 EEEDLO C[C@H](NC(=O)c1ccn(C)c1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969492327 675073711 /nfs/dbraw/zinc/07/37/11/675073711.db2.gz BNOAXOALAQHZSZ-ZDUSSCGKSA-N 1 2 340.402 2.286 20 30 EEEDLO C[C@@H](NC(=O)[C@H]1OCC[C@H]1C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970442015 675898401 /nfs/dbraw/zinc/89/84/01/675898401.db2.gz MIFGTMBXURKMIQ-VFVRVIDISA-N 1 2 345.418 2.059 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccns2)C1 ZINC000970560250 675983793 /nfs/dbraw/zinc/98/37/93/675983793.db2.gz LOOCGYMZNMQEFQ-JQFCIGGWSA-N 1 2 349.500 2.451 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001006824216 676111672 /nfs/dbraw/zinc/11/16/72/676111672.db2.gz PEUJTAJNVAKYSS-QZTJIDSGSA-N 1 2 327.428 2.208 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001006824216 676111673 /nfs/dbraw/zinc/11/16/73/676111673.db2.gz PEUJTAJNVAKYSS-QZTJIDSGSA-N 1 2 327.428 2.208 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC000970748657 676123040 /nfs/dbraw/zinc/12/30/40/676123040.db2.gz SBYWDBTZEYPAHV-ZDUSSCGKSA-N 1 2 349.862 2.191 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](Cc3ncc(C)s3)C2)nc1 ZINC000970765051 676133135 /nfs/dbraw/zinc/13/31/35/676133135.db2.gz ZEBLNZPJHXANJG-CYBMUJFWSA-N 1 2 340.452 2.078 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nc([C@@H](C)OC)no3)C2)CC1 ZINC000969830197 675235692 /nfs/dbraw/zinc/23/56/92/675235692.db2.gz FZJCXHVWMMVDSI-UKRRQHHQSA-N 1 2 348.447 2.214 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC000970877725 676210893 /nfs/dbraw/zinc/21/08/93/676210893.db2.gz ILMVWLQZESJMNK-NSHDSACASA-N 1 2 346.818 2.138 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC000969917688 675305084 /nfs/dbraw/zinc/30/50/84/675305084.db2.gz BHDBERQXPSQOJL-VIFPVBQESA-N 1 2 348.756 2.298 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000970110670 675516380 /nfs/dbraw/zinc/51/63/80/675516380.db2.gz VLIZPTPTGTVNDQ-GFCCVEGCSA-N 1 2 347.846 2.374 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000970401670 675855709 /nfs/dbraw/zinc/85/57/09/675855709.db2.gz CJKAXXABPJVUNF-CQSZACIVSA-N 1 2 331.807 2.028 20 30 EEEDLO C=CC[S@@](=O)(=NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)c1ccccc1 ZINC000891379273 676525206 /nfs/dbraw/zinc/52/52/06/676525206.db2.gz CLYMMCVDHVKBKK-GYCJOSAFSA-N 1 2 346.456 2.263 20 30 EEEDLO N#CC1(CCC[N@H+]2CC(=O)NC[C@@H]2c2ccccc2)CCOCC1 ZINC000933325743 676592361 /nfs/dbraw/zinc/59/23/61/676592361.db2.gz UFJPRENKKBIOEM-QGZVFWFLSA-N 1 2 327.428 2.260 20 30 EEEDLO N#CC1(CCC[N@@H+]2CC(=O)NC[C@@H]2c2ccccc2)CCOCC1 ZINC000933325743 676592362 /nfs/dbraw/zinc/59/23/62/676592362.db2.gz UFJPRENKKBIOEM-QGZVFWFLSA-N 1 2 327.428 2.260 20 30 EEEDLO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(OCC#N)cc2)o1 ZINC001038041720 676902294 /nfs/dbraw/zinc/90/22/94/676902294.db2.gz GGBRWRPAHDXTKZ-INIZCTEOSA-N 1 2 339.395 2.495 20 30 EEEDLO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(OCC#N)cc2)o1 ZINC001038041720 676902295 /nfs/dbraw/zinc/90/22/95/676902295.db2.gz GGBRWRPAHDXTKZ-INIZCTEOSA-N 1 2 339.395 2.495 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4oc(C)nc4c3)C2)C1 ZINC000972428261 678725169 /nfs/dbraw/zinc/72/51/69/678725169.db2.gz GZJBFYAHEGNTEN-IBGZPJMESA-N 1 2 341.411 2.239 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4oc(C)nc4c3)C2)C1 ZINC000972428261 678725173 /nfs/dbraw/zinc/72/51/73/678725173.db2.gz GZJBFYAHEGNTEN-IBGZPJMESA-N 1 2 341.411 2.239 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC=CCCC3)C2)C1 ZINC000972431866 678731309 /nfs/dbraw/zinc/73/13/09/678731309.db2.gz WCDOWMBGIUCZRP-ICSRJNTNSA-N 1 2 330.472 2.450 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC=CCCC3)C2)C1 ZINC000972431866 678731311 /nfs/dbraw/zinc/73/13/11/678731311.db2.gz WCDOWMBGIUCZRP-ICSRJNTNSA-N 1 2 330.472 2.450 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(C)C)nn3CC)C2)C1 ZINC000972450564 678767274 /nfs/dbraw/zinc/76/72/74/678767274.db2.gz WEAIVAAXIUYWEH-IBGZPJMESA-N 1 2 346.475 2.129 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(C)C)nn3CC)C2)C1 ZINC000972450564 678767275 /nfs/dbraw/zinc/76/72/75/678767275.db2.gz WEAIVAAXIUYWEH-IBGZPJMESA-N 1 2 346.475 2.129 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(F)cc(C)cc3F)C2)C1 ZINC000972461792 678796225 /nfs/dbraw/zinc/79/62/25/678796225.db2.gz XQTDBVOWMBSKDR-IBGZPJMESA-N 1 2 348.393 2.213 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(F)cc(C)cc3F)C2)C1 ZINC000972461792 678796227 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349.862 2.469 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CCCO3)CCC[C@@H]12 ZINC000990306385 692807489 /nfs/dbraw/zinc/80/74/89/692807489.db2.gz KCKHTSZNMNDTOC-GUTXKFCHSA-N 1 2 343.265 2.187 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CCCO3)CCC[C@@H]12 ZINC000990306385 692807491 /nfs/dbraw/zinc/80/74/91/692807491.db2.gz KCKHTSZNMNDTOC-GUTXKFCHSA-N 1 2 343.265 2.187 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(P(C)(C)=O)cc2)C(C)(C)C1 ZINC000977627715 692865584 /nfs/dbraw/zinc/86/55/84/692865584.db2.gz LJQSWBSCRTXRRK-QGZVFWFLSA-N 1 2 346.411 2.398 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(P(C)(C)=O)cc2)C(C)(C)C1 ZINC000977627715 692865588 /nfs/dbraw/zinc/86/55/88/692865588.db2.gz LJQSWBSCRTXRRK-QGZVFWFLSA-N 1 2 346.411 2.398 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001060058613 693227977 /nfs/dbraw/zinc/22/79/77/693227977.db2.gz INLFKBZGSLHZGN-OAHLLOKOSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CC)C1 ZINC001027641582 693728388 /nfs/dbraw/zinc/72/83/88/693728388.db2.gz LQCCICFGYWIYDA-GJZGRUSLSA-N 1 2 341.883 2.063 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2CC)C1 ZINC001027641582 693728392 /nfs/dbraw/zinc/72/83/92/693728392.db2.gz LQCCICFGYWIYDA-GJZGRUSLSA-N 1 2 341.883 2.063 20 30 EEEDLO CCc1cc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)no1 ZINC001032135720 1192766528 /nfs/dbraw/zinc/76/65/28/1192766528.db2.gz JCXSPVHXCHCMTI-UHFFFAOYSA-N 1 2 342.374 2.110 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cncnc1C1CC1 ZINC001032162243 1192799329 /nfs/dbraw/zinc/79/93/29/1192799329.db2.gz XWSNGQXCXLRRDG-UHFFFAOYSA-N 1 2 346.434 2.067 20 30 EEEDLO CN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1)C1CCCCC1 ZINC001269126492 1183984940 /nfs/dbraw/zinc/98/49/40/1183984940.db2.gz OOZXHZLLWHTXMN-MRXNPFEDSA-N 1 2 347.503 2.018 20 30 EEEDLO CN(C(=O)C[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1)C1CCCCC1 ZINC001269126492 1183984944 /nfs/dbraw/zinc/98/49/44/1183984944.db2.gz OOZXHZLLWHTXMN-MRXNPFEDSA-N 1 2 347.503 2.018 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N(C)CCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001105421747 1186700452 /nfs/dbraw/zinc/70/04/52/1186700452.db2.gz BDAFYOVJEVMCCE-AWEZNQCLSA-N 1 2 346.475 2.150 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)on1 ZINC001088463756 1186957690 /nfs/dbraw/zinc/95/76/90/1186957690.db2.gz NMLNOWZBOCFLRQ-PBHICJAKSA-N 1 2 341.386 2.366 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)on1 ZINC001088463756 1186957696 /nfs/dbraw/zinc/95/76/96/1186957696.db2.gz NMLNOWZBOCFLRQ-PBHICJAKSA-N 1 2 341.386 2.366 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1ccncc1F ZINC001482587174 1187007143 /nfs/dbraw/zinc/00/71/43/1187007143.db2.gz AGNWYTKIAPARJR-UHFFFAOYSA-N 1 2 326.375 2.296 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1ccncc1F ZINC001482587174 1187007146 /nfs/dbraw/zinc/00/71/46/1187007146.db2.gz AGNWYTKIAPARJR-UHFFFAOYSA-N 1 2 326.375 2.296 20 30 EEEDLO Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)c1C ZINC001088497047 1187047056 /nfs/dbraw/zinc/04/70/56/1187047056.db2.gz DEGRCKRCKPQRNG-PBHICJAKSA-N 1 2 337.427 2.291 20 30 EEEDLO Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)[C@@H]2C)c1C ZINC001088497047 1187047060 /nfs/dbraw/zinc/04/70/60/1187047060.db2.gz DEGRCKRCKPQRNG-PBHICJAKSA-N 1 2 337.427 2.291 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)C2=CCCCCC2)[C@@H](O)C1 ZINC001083428083 1187168863 /nfs/dbraw/zinc/16/88/63/1187168863.db2.gz LESANXMTWKZRHW-MOPGFXCFSA-N 1 2 339.439 2.110 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)C2=CCCCCC2)[C@@H](O)C1 ZINC001083428083 1187168867 /nfs/dbraw/zinc/16/88/67/1187168867.db2.gz LESANXMTWKZRHW-MOPGFXCFSA-N 1 2 339.439 2.110 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)cnn1 ZINC001088541898 1187197436 /nfs/dbraw/zinc/19/74/36/1187197436.db2.gz CALLFMGHSTXSSL-KDOFPFPSSA-N 1 2 335.411 2.050 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)cnn1 ZINC001088541898 1187197437 /nfs/dbraw/zinc/19/74/37/1187197437.db2.gz CALLFMGHSTXSSL-KDOFPFPSSA-N 1 2 335.411 2.050 20 30 EEEDLO C[C@]1(CNC(=O)C#CC2CC2)C[N@H+](CCCCC(F)(F)F)CCO1 ZINC001107932267 1193478824 /nfs/dbraw/zinc/47/88/24/1193478824.db2.gz JCJWYZFWLAAZOH-INIZCTEOSA-N 1 2 346.393 2.340 20 30 EEEDLO C[C@]1(CNC(=O)C#CC2CC2)C[N@@H+](CCCCC(F)(F)F)CCO1 ZINC001107932267 1193478825 /nfs/dbraw/zinc/47/88/25/1193478825.db2.gz JCJWYZFWLAAZOH-INIZCTEOSA-N 1 2 346.393 2.340 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)/C=C(/C)C1CC1 ZINC001211951805 1187444295 /nfs/dbraw/zinc/44/42/95/1187444295.db2.gz ONDJHFUGQUVPNO-SWSHNTHGSA-N 1 2 345.468 2.291 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)/C=C(/C)C1CC1 ZINC001211951805 1187444296 /nfs/dbraw/zinc/44/42/96/1187444296.db2.gz ONDJHFUGQUVPNO-SWSHNTHGSA-N 1 2 345.468 2.291 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N(C)CCN(C)c3ccc(C#N)cn3)ccn12 ZINC001105471992 1187982192 /nfs/dbraw/zinc/98/21/92/1187982192.db2.gz HABNFTWIPFRZCO-UHFFFAOYSA-N 1 2 348.410 2.118 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH]ccc-4n3)[C@@H]2C1 ZINC001075948723 1188327479 /nfs/dbraw/zinc/32/74/79/1188327479.db2.gz FCMLLPBQTRREBB-BLLLJJGKSA-N 1 2 330.819 2.462 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH]ccc-4n3)[C@@H]2C1 ZINC001075948723 1188327484 /nfs/dbraw/zinc/32/74/84/1188327484.db2.gz FCMLLPBQTRREBB-BLLLJJGKSA-N 1 2 330.819 2.462 20 30 EEEDLO Cc1nnccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088709207 1188329254 /nfs/dbraw/zinc/32/92/54/1188329254.db2.gz ZNEAPQPKISTDPR-KDOFPFPSSA-N 1 2 335.411 2.050 20 30 EEEDLO Cc1nnccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088709207 1188329257 /nfs/dbraw/zinc/32/92/57/1188329257.db2.gz ZNEAPQPKISTDPR-KDOFPFPSSA-N 1 2 335.411 2.050 20 30 EEEDLO N#Cc1cccnc1NC[C@@H]1CCC[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001105655235 1188374844 /nfs/dbraw/zinc/37/48/44/1188374844.db2.gz PFLMXWYWWWRWGO-GJZGRUSLSA-N 1 2 338.415 2.006 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N(CC)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001126810683 1188416812 /nfs/dbraw/zinc/41/68/12/1188416812.db2.gz BKNQACXHUGVURY-APWZRJJASA-N 1 2 346.475 2.320 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3onc4c3CCCC4)[C@@H]2C1 ZINC001076037087 1188675736 /nfs/dbraw/zinc/67/57/36/1188675736.db2.gz ACLRAGYUIIKPNZ-SWLSCSKDSA-N 1 2 335.835 2.452 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3onc4c3CCCC4)[C@@H]2C1 ZINC001076037087 1188675737 /nfs/dbraw/zinc/67/57/37/1188675737.db2.gz ACLRAGYUIIKPNZ-SWLSCSKDSA-N 1 2 335.835 2.452 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccnc(OCC)c3)[C@@H]2C1 ZINC001076224594 1188792274 /nfs/dbraw/zinc/79/22/74/1188792274.db2.gz YAPQDEWHAANQJV-LSDHHAIUSA-N 1 2 335.835 2.379 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc(OCC)c3)[C@@H]2C1 ZINC001076224594 1188792278 /nfs/dbraw/zinc/79/22/78/1188792278.db2.gz YAPQDEWHAANQJV-LSDHHAIUSA-N 1 2 335.835 2.379 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C(F)F)n[nH]3)[C@@H]2C1 ZINC001076228651 1188793782 /nfs/dbraw/zinc/79/37/82/1188793782.db2.gz FUEUMUANWMWZOJ-JOYOIKCWSA-N 1 2 330.766 2.246 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C(F)F)n[nH]3)[C@@H]2C1 ZINC001076228651 1188793786 /nfs/dbraw/zinc/79/37/86/1188793786.db2.gz FUEUMUANWMWZOJ-JOYOIKCWSA-N 1 2 330.766 2.246 20 30 EEEDLO C=CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3ncc(Cl)s3)C2)C1=O ZINC001272867224 1193583864 /nfs/dbraw/zinc/58/38/64/1193583864.db2.gz DZWLYOLLKUJNFM-HNNXBMFYSA-N 1 2 339.848 2.324 20 30 EEEDLO C=CCN1C(=O)C[C@]2(CCC[N@H+](Cc3ncc(Cl)s3)C2)C1=O ZINC001272867224 1193583866 /nfs/dbraw/zinc/58/38/66/1193583866.db2.gz DZWLYOLLKUJNFM-HNNXBMFYSA-N 1 2 339.848 2.324 20 30 EEEDLO Cc1nocc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088833191 1188866511 /nfs/dbraw/zinc/86/65/11/1188866511.db2.gz FQUDXJZIPZHAIF-PXAZEXFGSA-N 1 2 342.374 2.387 20 30 EEEDLO Cc1nocc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088833191 1188866514 /nfs/dbraw/zinc/86/65/14/1188866514.db2.gz FQUDXJZIPZHAIF-PXAZEXFGSA-N 1 2 342.374 2.387 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn4ccccc34)[C@@H]2C1 ZINC001076367949 1188877077 /nfs/dbraw/zinc/87/70/77/1188877077.db2.gz FYBLGWPRFPJJHM-XJKSGUPXSA-N 1 2 330.819 2.233 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn4ccccc34)[C@@H]2C1 ZINC001076367949 1188877081 /nfs/dbraw/zinc/87/70/81/1188877081.db2.gz FYBLGWPRFPJJHM-XJKSGUPXSA-N 1 2 330.819 2.233 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4[nH]c(=O)oc4c3)[C@@H]2C1 ZINC001076610211 1189040797 /nfs/dbraw/zinc/04/07/97/1189040797.db2.gz ZWJMAWDWRYYMDG-GXTWGEPZSA-N 1 2 347.802 2.432 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4[nH]c(=O)oc4c3)[C@@H]2C1 ZINC001076610211 1189040800 /nfs/dbraw/zinc/04/08/00/1189040800.db2.gz ZWJMAWDWRYYMDG-GXTWGEPZSA-N 1 2 347.802 2.432 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001077114750 1189341354 /nfs/dbraw/zinc/34/13/54/1189341354.db2.gz YTVGFQJQFFTBIN-GJZGRUSLSA-N 1 2 346.475 2.059 20 30 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ZINC001033378614 1194504942 /nfs/dbraw/zinc/50/49/42/1194504942.db2.gz MLYOEGSBSJCNCO-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]2C)CC1 ZINC001005241578 1194970964 /nfs/dbraw/zinc/97/09/64/1194970964.db2.gz IBIXTVQRSNGCPJ-RHSMWYFYSA-N 1 2 344.459 2.052 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC001033807134 1195291167 /nfs/dbraw/zinc/29/11/67/1195291167.db2.gz RXPRVFUEYVZGFI-AWEZNQCLSA-N 1 2 329.429 2.079 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001033807134 1195291171 /nfs/dbraw/zinc/29/11/71/1195291171.db2.gz RXPRVFUEYVZGFI-AWEZNQCLSA-N 1 2 329.429 2.079 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2nn(C)cc2Cl)C1 ZINC001033849823 1195383397 /nfs/dbraw/zinc/38/33/97/1195383397.db2.gz JKSXVUOIARYIQY-LLVKDONJSA-N 1 2 331.247 2.362 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2nn(C)cc2Cl)C1 ZINC001033849823 1195383392 /nfs/dbraw/zinc/38/33/92/1195383392.db2.gz JKSXVUOIARYIQY-LLVKDONJSA-N 1 2 331.247 2.362 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc3c([nH]2)CCOC3)C1 ZINC001033858595 1195401262 /nfs/dbraw/zinc/40/12/62/1195401262.db2.gz WVHGRWWITREPAY-AWEZNQCLSA-N 1 2 337.851 2.376 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3c([nH]2)CCOC3)C1 ZINC001033858595 1195401265 /nfs/dbraw/zinc/40/12/65/1195401265.db2.gz WVHGRWWITREPAY-AWEZNQCLSA-N 1 2 337.851 2.376 20 30 EEEDLO C[C@H](CCCCNc1ccc(C#N)nc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001090155665 1195504973 /nfs/dbraw/zinc/50/49/73/1195504973.db2.gz CXGFPYZYNYEKHK-CYBMUJFWSA-N 1 2 326.404 2.006 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2c(CC)nn(C)c2CC)C1 ZINC001014756464 1224296049 /nfs/dbraw/zinc/29/60/49/1224296049.db2.gz JDXVNPHQWQJQHO-ZDUSSCGKSA-N 1 2 338.883 2.030 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2c(CC)nn(C)c2CC)C1 ZINC001014756464 1224296053 /nfs/dbraw/zinc/29/60/53/1224296053.db2.gz JDXVNPHQWQJQHO-ZDUSSCGKSA-N 1 2 338.883 2.030 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C1CC[NH+](Cc2nnc(C)o2)CC1 ZINC001005509620 1195760575 /nfs/dbraw/zinc/76/05/75/1195760575.db2.gz FQFPUCQMPPXMHX-UHFFFAOYSA-N 1 2 343.431 2.102 20 30 EEEDLO C[C@@H](c1ncccn1)[N@@H+]1CCCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171333 1195892795 /nfs/dbraw/zinc/89/27/95/1195892795.db2.gz NNRLHKJOZGIZFC-DZGCQCFKSA-N 1 2 338.415 2.022 20 30 EEEDLO C[C@@H](c1ncccn1)[N@H+]1CCCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171333 1195892797 /nfs/dbraw/zinc/89/27/97/1195892797.db2.gz NNRLHKJOZGIZFC-DZGCQCFKSA-N 1 2 338.415 2.022 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc3n[nH]nc32)C1 ZINC001034223600 1195976335 /nfs/dbraw/zinc/97/63/35/1195976335.db2.gz PXYFLUJZXFDENW-LBPRGKRZSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cccc3n[nH]nc32)C1 ZINC001034223600 1195976337 /nfs/dbraw/zinc/97/63/37/1195976337.db2.gz PXYFLUJZXFDENW-LBPRGKRZSA-N 1 2 333.823 2.295 20 30 EEEDLO CC[C@@H](F)C(=O)NC[C@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108122101 1195988770 /nfs/dbraw/zinc/98/87/70/1195988770.db2.gz MZDMKGASWQCIKC-SJLPKXTDSA-N 1 2 333.407 2.013 20 30 EEEDLO CC[C@@H](F)C(=O)NC[C@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108122101 1195988772 /nfs/dbraw/zinc/98/87/72/1195988772.db2.gz MZDMKGASWQCIKC-SJLPKXTDSA-N 1 2 333.407 2.013 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)c3cnco3)C2)c(F)c1 ZINC001034337917 1196110280 /nfs/dbraw/zinc/11/02/80/1196110280.db2.gz SNWQCBFOZHAGDS-HNNXBMFYSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H](NC(=O)c3cnco3)C2)c(F)c1 ZINC001034337917 1196110281 /nfs/dbraw/zinc/11/02/81/1196110281.db2.gz SNWQCBFOZHAGDS-HNNXBMFYSA-N 1 2 342.374 2.470 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+]([C@H](C)c3nncn3C)C2)C1 ZINC001034389722 1196175915 /nfs/dbraw/zinc/17/59/15/1196175915.db2.gz UZPPXPGHADKXJH-HUUCEWRRSA-N 1 2 331.464 2.203 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+]([C@H](C)c3nncn3C)C2)C1 ZINC001034389722 1196175917 /nfs/dbraw/zinc/17/59/17/1196175917.db2.gz UZPPXPGHADKXJH-HUUCEWRRSA-N 1 2 331.464 2.203 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2conc2COC)C1 ZINC001034483688 1196293107 /nfs/dbraw/zinc/29/31/07/1196293107.db2.gz SWLOLHUTAQRHOX-GFCCVEGCSA-N 1 2 327.812 2.158 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2conc2COC)C1 ZINC001034483688 1196293110 /nfs/dbraw/zinc/29/31/10/1196293110.db2.gz SWLOLHUTAQRHOX-GFCCVEGCSA-N 1 2 327.812 2.158 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[N@H+](Cc2ncccn2)C1 ZINC001034504691 1196305853 /nfs/dbraw/zinc/30/58/53/1196305853.db2.gz CLCNSRIJBVHXEN-LJQANCHMSA-N 1 2 348.450 2.171 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2ncccn2)C1 ZINC001034504691 1196305858 /nfs/dbraw/zinc/30/58/58/1196305858.db2.gz CLCNSRIJBVHXEN-LJQANCHMSA-N 1 2 348.450 2.171 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001108132959 1196453412 /nfs/dbraw/zinc/45/34/12/1196453412.db2.gz XQWOBWKBYVPUSO-VMGRFDJRSA-N 1 2 344.459 2.172 20 30 EEEDLO C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)c1c[nH]c2ccccc2c1=O ZINC001410407632 1197815959 /nfs/dbraw/zinc/81/59/59/1197815959.db2.gz NISKMNKJMGWONG-GFCCVEGCSA-N 1 2 333.819 2.331 20 30 EEEDLO CCCc1ccc(C[NH+]2CC3(C2)COCC(=O)N3CCCC#N)cc1 ZINC001273363808 1198333041 /nfs/dbraw/zinc/33/30/41/1198333041.db2.gz PQHUMMUVXDVNFW-UHFFFAOYSA-N 1 2 341.455 2.356 20 30 EEEDLO C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1[nH]nc(C)c1C ZINC001133951464 1199188528 /nfs/dbraw/zinc/18/85/28/1199188528.db2.gz YIHUQKLQTTXECY-VHSXEESVSA-N 1 2 343.269 2.422 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1CC(=O)NC1CCCC1 ZINC001132033636 1199218162 /nfs/dbraw/zinc/21/81/62/1199218162.db2.gz JBHXDKNHTRSUCI-RDJZCZTQSA-N 1 2 347.503 2.064 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1CC(=O)NC1CCCC1 ZINC001132033636 1199218165 /nfs/dbraw/zinc/21/81/65/1199218165.db2.gz JBHXDKNHTRSUCI-RDJZCZTQSA-N 1 2 347.503 2.064 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)COCc2cc(C)on2)CC[C@H]1C ZINC001132125810 1199332042 /nfs/dbraw/zinc/33/20/42/1199332042.db2.gz YYHOMCNOYHZZQI-TZMCWYRMSA-N 1 2 341.839 2.221 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)COCc2cc(C)on2)CC[C@H]1C ZINC001132125810 1199332046 /nfs/dbraw/zinc/33/20/46/1199332046.db2.gz YYHOMCNOYHZZQI-TZMCWYRMSA-N 1 2 341.839 2.221 20 30 EEEDLO CS(=O)(=O)N(Cc1ccccc1)N=Cc1cccc2[nH+]ccn21 ZINC000814237014 1199378953 /nfs/dbraw/zinc/37/89/53/1199378953.db2.gz IIIUQFCESUGIFD-UHFFFAOYSA-N 1 2 328.397 2.130 20 30 EEEDLO C#CCCCCCC(=O)NCC[NH2+]Cc1noc(-c2ccoc2)n1 ZINC001132407651 1199666158 /nfs/dbraw/zinc/66/61/58/1199666158.db2.gz KPGILQPPEMNTSB-UHFFFAOYSA-N 1 2 330.388 2.119 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nsc2ccccc21 ZINC001018298980 1224581945 /nfs/dbraw/zinc/58/19/45/1224581945.db2.gz LKIHHQZCCOUKOA-OKILXGFUSA-N 1 2 325.437 2.147 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nsc2ccccc21 ZINC001018298980 1224581952 /nfs/dbraw/zinc/58/19/52/1224581952.db2.gz LKIHHQZCCOUKOA-OKILXGFUSA-N 1 2 325.437 2.147 20 30 EEEDLO C=CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nsc(N(C)C)n2)C12CCC2 ZINC001202590070 1202183647 /nfs/dbraw/zinc/18/36/47/1202183647.db2.gz HGYFFYGCEJFZBU-OLZOCXBDSA-N 1 2 349.504 2.087 20 30 EEEDLO Cc1cnc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)s1 ZINC001095328083 1202269452 /nfs/dbraw/zinc/26/94/52/1202269452.db2.gz UIPATRONCYYSDL-SNPRPXQTSA-N 1 2 341.440 2.187 20 30 EEEDLO Cc1cnc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)s1 ZINC001095328083 1202269455 /nfs/dbraw/zinc/26/94/55/1202269455.db2.gz UIPATRONCYYSDL-SNPRPXQTSA-N 1 2 341.440 2.187 20 30 EEEDLO CC[C@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(C#N)ccc3O)C2)C1=O ZINC001274666816 1205123639 /nfs/dbraw/zinc/12/36/39/1205123639.db2.gz IZWWKADWULINEM-LIRRHRJNSA-N 1 2 327.428 2.487 20 30 EEEDLO CC[C@H](C)N1CC[C@]2(CC[N@@H+](Cc3cc(C#N)ccc3O)C2)C1=O ZINC001274666816 1205123643 /nfs/dbraw/zinc/12/36/43/1205123643.db2.gz IZWWKADWULINEM-LIRRHRJNSA-N 1 2 327.428 2.487 20 30 EEEDLO COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N 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346.460 2.114 20 30 EEEDLO CCc1oc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#CCOC)cc1C ZINC001111271097 1208527759 /nfs/dbraw/zinc/52/77/59/1208527759.db2.gz BTODCPORGQDEFZ-OAGGEKHMSA-N 1 2 330.428 2.135 20 30 EEEDLO CCc1oc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#CCOC)cc1C ZINC001111271097 1208527761 /nfs/dbraw/zinc/52/77/61/1208527761.db2.gz BTODCPORGQDEFZ-OAGGEKHMSA-N 1 2 330.428 2.135 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](CC)C2)C1 ZINC000948538999 1209204635 /nfs/dbraw/zinc/20/46/35/1209204635.db2.gz QDLWEDSDIZGLTA-GDBMZVCRSA-N 1 2 344.459 2.052 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC000948910229 1209447899 /nfs/dbraw/zinc/44/78/99/1209447899.db2.gz MLIIIDLQBKBTQE-RBUKOAKNSA-N 1 2 326.440 2.294 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC000948910229 1209447901 /nfs/dbraw/zinc/44/79/01/1209447901.db2.gz MLIIIDLQBKBTQE-RBUKOAKNSA-N 1 2 326.440 2.294 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1nn(C)cc1Cl 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325.437 2.414 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC000948978357 1209485188 /nfs/dbraw/zinc/48/51/88/1209485188.db2.gz KPXFQUSKJORLJJ-FQEVSTJZSA-N 1 2 333.435 2.466 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC000948978357 1209485190 /nfs/dbraw/zinc/48/51/90/1209485190.db2.gz KPXFQUSKJORLJJ-FQEVSTJZSA-N 1 2 333.435 2.466 20 30 EEEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1c[nH]c(C)cc1=O ZINC000948978967 1209485895 /nfs/dbraw/zinc/48/58/95/1209485895.db2.gz PUDUSNWGXIJIJO-GOSISDBHSA-N 1 2 337.423 2.199 20 30 EEEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1c[nH]c(C)cc1=O ZINC000948978967 1209485897 /nfs/dbraw/zinc/48/58/97/1209485897.db2.gz PUDUSNWGXIJIJO-GOSISDBHSA-N 1 2 337.423 2.199 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCOC3(CC[NH+](Cc4ccon4)CC3)C2)C1 ZINC000949182332 1209566410 /nfs/dbraw/zinc/56/64/10/1209566410.db2.gz KZUNPTDXDCYKCO-UHFFFAOYSA-N 1 2 345.443 2.224 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)c3cccc(C)c3)CC2)C1 ZINC000949483849 1209709043 /nfs/dbraw/zinc/70/90/43/1209709043.db2.gz ZRZXSHXTQFLUAQ-GOSISDBHSA-N 1 2 340.467 2.425 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)c3cccc(C)c3)CC2)C1 ZINC000949483849 1209709047 /nfs/dbraw/zinc/70/90/47/1209709047.db2.gz ZRZXSHXTQFLUAQ-GOSISDBHSA-N 1 2 340.467 2.425 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)C1 ZINC000949515494 1209723329 /nfs/dbraw/zinc/72/33/29/1209723329.db2.gz UVKXHCIEUMXBMR-RBUKOAKNSA-N 1 2 338.451 2.117 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)C1 ZINC000949515494 1209723330 /nfs/dbraw/zinc/72/33/30/1209723330.db2.gz UVKXHCIEUMXBMR-RBUKOAKNSA-N 1 2 338.451 2.117 20 30 EEEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)CCc3ccccn3)CC2)c1 ZINC000949617736 1209762199 /nfs/dbraw/zinc/76/21/99/1209762199.db2.gz VAQRKUHAGOQCAY-UHFFFAOYSA-N 1 2 334.423 2.230 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001015377402 1225168040 /nfs/dbraw/zinc/16/80/40/1225168040.db2.gz RTMXLGVMCSUDRX-LLVKDONJSA-N 1 2 333.823 2.077 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001015377402 1225168046 /nfs/dbraw/zinc/16/80/46/1225168046.db2.gz RTMXLGVMCSUDRX-LLVKDONJSA-N 1 2 333.823 2.077 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](C[C@@H](O)c2cccc(OC)c2)CC1 ZINC000950051806 1209999364 /nfs/dbraw/zinc/99/93/64/1209999364.db2.gz VOKSFPVQRNNEML-QUCCMNQESA-N 1 2 346.471 2.475 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1 ZINC000950549469 1210270680 /nfs/dbraw/zinc/27/06/80/1210270680.db2.gz HHKHHIUVGKFGIK-SJLPKXTDSA-N 1 2 346.475 2.089 20 30 EEEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)c1cnco1 ZINC001095833720 1210569747 /nfs/dbraw/zinc/56/97/47/1210569747.db2.gz BSVFDFMDCRSXPR-IKGGRYGDSA-N 1 2 339.370 2.201 20 30 EEEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)c1cnco1 ZINC001095833720 1210569750 /nfs/dbraw/zinc/56/97/50/1210569750.db2.gz BSVFDFMDCRSXPR-IKGGRYGDSA-N 1 2 339.370 2.201 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC000951149345 1210642918 /nfs/dbraw/zinc/64/29/18/1210642918.db2.gz KJPRWXYJNAZUFD-QGZVFWFLSA-N 1 2 344.459 2.196 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC000951149345 1210642921 /nfs/dbraw/zinc/64/29/21/1210642921.db2.gz KJPRWXYJNAZUFD-QGZVFWFLSA-N 1 2 344.459 2.196 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000951545945 1210874026 /nfs/dbraw/zinc/87/40/26/1210874026.db2.gz UVEFWLKCWFPFQA-CQSZACIVSA-N 1 2 340.427 2.267 20 30 EEEDLO NC(=[NH+]OCC(=O)Nc1ccnn1C1CCCC1)c1ccccc1 ZINC000085254833 1211606422 /nfs/dbraw/zinc/60/64/22/1211606422.db2.gz MUMWCZASHNHIEQ-UHFFFAOYSA-N 1 2 327.388 2.274 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001015476546 1225307989 /nfs/dbraw/zinc/30/79/89/1225307989.db2.gz CMALTZFHVGQGLF-WBVHZDCISA-N 1 2 344.459 2.031 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cccnc3OC)C2)cc1 ZINC001015479267 1225311159 /nfs/dbraw/zinc/31/11/59/1225311159.db2.gz AEJZQUCOOXRGCR-SFHVURJKSA-N 1 2 335.407 2.076 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cccnc3OC)C2)cc1 ZINC001015479267 1225311164 /nfs/dbraw/zinc/31/11/64/1225311164.db2.gz AEJZQUCOOXRGCR-SFHVURJKSA-N 1 2 335.407 2.076 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCCN2C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000956129881 1213549383 /nfs/dbraw/zinc/54/93/83/1213549383.db2.gz NLYYBXXIAMUUKP-INIZCTEOSA-N 1 2 344.459 2.114 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000956134655 1213553065 /nfs/dbraw/zinc/55/30/65/1213553065.db2.gz RTCWHDHOEUVXSV-AWEZNQCLSA-N 1 2 340.427 2.496 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2c(O)cccc2F)cc1C#N ZINC001276354214 1213898644 /nfs/dbraw/zinc/89/86/44/1213898644.db2.gz MPVYFTFDAMBMLN-IYBDPMFKSA-N 1 2 340.402 2.200 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2c(O)cccc2F)cc1C#N ZINC001276354214 1213898649 /nfs/dbraw/zinc/89/86/49/1213898649.db2.gz MPVYFTFDAMBMLN-IYBDPMFKSA-N 1 2 340.402 2.200 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3n1CCCC3)C2 ZINC001095911963 1213934275 /nfs/dbraw/zinc/93/42/75/1213934275.db2.gz BQSUPHZGOAGOAO-RDBSUJKOSA-N 1 2 334.851 2.307 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3n1CCCC3)C2 ZINC001095911963 1213934277 /nfs/dbraw/zinc/93/42/77/1213934277.db2.gz BQSUPHZGOAGOAO-RDBSUJKOSA-N 1 2 334.851 2.307 20 30 EEEDLO Cc1nc(N2C[C@@H]3CC[C@@H](NC(=O)C#CC(C)C)C[C@H]3C2)cc[nH+]1 ZINC001114654250 1214405391 /nfs/dbraw/zinc/40/53/91/1214405391.db2.gz QRTCHDMBMWIHDY-YESZJQIVSA-N 1 2 326.444 2.166 20 30 EEEDLO CCOc1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)ccn1 ZINC001015679413 1225542681 /nfs/dbraw/zinc/54/26/81/1225542681.db2.gz BCZBMQZGSCAJCK-IBGZPJMESA-N 1 2 349.434 2.336 20 30 EEEDLO CCOc1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)ccn1 ZINC001015679413 1225542684 /nfs/dbraw/zinc/54/26/84/1225542684.db2.gz BCZBMQZGSCAJCK-IBGZPJMESA-N 1 2 349.434 2.336 20 30 EEEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)CC[C@H]3CCCOC3)CC2)c1 ZINC000956952449 1214693043 /nfs/dbraw/zinc/69/30/43/1214693043.db2.gz CWLSBGNSEWSBTL-QGZVFWFLSA-N 1 2 341.455 2.409 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ocnc1C1CC1 ZINC001015702317 1225566723 /nfs/dbraw/zinc/56/67/23/1225566723.db2.gz BMGRONNKQMKSBO-KRWDZBQOSA-N 1 2 335.407 2.408 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ocnc1C1CC1 ZINC001015702317 1225566729 /nfs/dbraw/zinc/56/67/29/1225566729.db2.gz BMGRONNKQMKSBO-KRWDZBQOSA-N 1 2 335.407 2.408 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4nnc(C(C)C)o4)C[C@H]32)CC1 ZINC001114778368 1215269914 /nfs/dbraw/zinc/26/99/14/1215269914.db2.gz JOTLJHQRMGMWKG-FOLVSLTJSA-N 1 2 344.459 2.486 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4nnc(C(C)C)o4)C[C@H]32)CC1 ZINC001114778368 1215269916 /nfs/dbraw/zinc/26/99/16/1215269916.db2.gz JOTLJHQRMGMWKG-FOLVSLTJSA-N 1 2 344.459 2.486 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(COC)n3)C[C@H]21 ZINC001114792504 1215308209 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1222178331 /nfs/dbraw/zinc/17/83/31/1222178331.db2.gz WCRJUZXHVCSIQP-CYBMUJFWSA-N 1 2 336.867 2.164 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]nc3c2CCCC3)C1 ZINC001007334545 1222178333 /nfs/dbraw/zinc/17/83/33/1222178333.db2.gz WCRJUZXHVCSIQP-CYBMUJFWSA-N 1 2 336.867 2.164 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC001007360139 1222189666 /nfs/dbraw/zinc/18/96/66/1222189666.db2.gz MCKWHYUYRNLMQM-KURKYZTESA-N 1 2 347.434 2.283 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC001007360139 1222189670 /nfs/dbraw/zinc/18/96/70/1222189670.db2.gz MCKWHYUYRNLMQM-KURKYZTESA-N 1 2 347.434 2.283 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(C)ncn3)C2)cc1 ZINC001008149612 1222653555 /nfs/dbraw/zinc/65/35/55/1222653555.db2.gz ROKDXKQDFCIDNO-GOSISDBHSA-N 1 2 334.423 2.161 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(C)ncn3)C2)cc1 ZINC001008149612 1222653558 /nfs/dbraw/zinc/65/35/58/1222653558.db2.gz ROKDXKQDFCIDNO-GOSISDBHSA-N 1 2 334.423 2.161 20 30 EEEDLO Cc1nocc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008386344 1222802046 /nfs/dbraw/zinc/80/20/46/1222802046.db2.gz PMYREMKLYVXTPX-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nocc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008386344 1222802047 /nfs/dbraw/zinc/80/20/47/1222802047.db2.gz PMYREMKLYVXTPX-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CCOC1 ZINC001009003128 1223109623 /nfs/dbraw/zinc/10/96/23/1223109623.db2.gz LBLFYYLQXFTSBM-IEBWSBKVSA-N 1 2 327.428 2.065 20 30 EEEDLO C[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CCOC1 ZINC001009003128 1223109624 /nfs/dbraw/zinc/10/96/24/1223109624.db2.gz LBLFYYLQXFTSBM-IEBWSBKVSA-N 1 2 327.428 2.065 20 30 EEEDLO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)CCOC1 ZINC001009006158 1223110474 /nfs/dbraw/zinc/11/04/74/1223110474.db2.gz XGIFIDSLUFPSGJ-VQIMIIECSA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)CCOC1 ZINC001009006158 1223110477 /nfs/dbraw/zinc/11/04/77/1223110477.db2.gz XGIFIDSLUFPSGJ-VQIMIIECSA-N 1 2 345.418 2.205 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001009055862 1223126149 /nfs/dbraw/zinc/12/61/49/1223126149.db2.gz DGYAEICPYLAMGE-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001009055862 1223126150 /nfs/dbraw/zinc/12/61/50/1223126150.db2.gz DGYAEICPYLAMGE-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2C(=O)Nc3ccccc32)C1 ZINC001009709693 1223340483 /nfs/dbraw/zinc/34/04/83/1223340483.db2.gz PRDYHBYHBDKUMW-HIFRSBDPSA-N 1 2 347.846 2.446 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2C(=O)Nc3ccccc32)C1 ZINC001009709693 1223340484 /nfs/dbraw/zinc/34/04/84/1223340484.db2.gz PRDYHBYHBDKUMW-HIFRSBDPSA-N 1 2 347.846 2.446 20 30 EEEDLO Cn1cccc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010239638 1223622730 /nfs/dbraw/zinc/62/27/30/1223622730.db2.gz CJHRLIYJQVSHLG-KRWDZBQOSA-N 1 2 325.387 2.020 20 30 EEEDLO Cn1cccc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010239638 1223622732 /nfs/dbraw/zinc/62/27/32/1223622732.db2.gz CJHRLIYJQVSHLG-KRWDZBQOSA-N 1 2 325.387 2.020 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2C[C@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001010279547 1223640114 /nfs/dbraw/zinc/64/01/14/1223640114.db2.gz RJJAGUCTPFJFNC-GJZGRUSLSA-N 1 2 344.459 2.052 20 30 EEEDLO Cn1ccc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001010561347 1223783442 /nfs/dbraw/zinc/78/34/42/1223783442.db2.gz MQZGAQRDQSDJBF-SFHVURJKSA-N 1 2 325.387 2.020 20 30 EEEDLO Cn1ccc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001010561347 1223783445 /nfs/dbraw/zinc/78/34/45/1223783445.db2.gz MQZGAQRDQSDJBF-SFHVURJKSA-N 1 2 325.387 2.020 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)c[nH]1 ZINC001010666945 1223842635 /nfs/dbraw/zinc/84/26/35/1223842635.db2.gz GELQINRJUBCTAF-CYBMUJFWSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)c[nH]1 ZINC001010666945 1223842639 /nfs/dbraw/zinc/84/26/39/1223842639.db2.gz GELQINRJUBCTAF-CYBMUJFWSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CCCOC3)C2)c1 ZINC001016275955 1226287643 /nfs/dbraw/zinc/28/76/43/1226287643.db2.gz IEJPYJIAUKYEPH-WBVHZDCISA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)C[C@H]3CCCOC3)C2)c1 ZINC001016275955 1226287649 /nfs/dbraw/zinc/28/76/49/1226287649.db2.gz IEJPYJIAUKYEPH-WBVHZDCISA-N 1 2 345.418 2.205 20 30 EEEDLO CN(C)c1ccc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)nc1 ZINC001016366318 1226396667 /nfs/dbraw/zinc/39/66/67/1226396667.db2.gz HLLKKMICBOPSKM-GOSISDBHSA-N 1 2 348.450 2.003 20 30 EEEDLO CN(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)nc1 ZINC001016366318 1226396671 /nfs/dbraw/zinc/39/66/71/1226396671.db2.gz HLLKKMICBOPSKM-GOSISDBHSA-N 1 2 348.450 2.003 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001014326864 1226493111 /nfs/dbraw/zinc/49/31/11/1226493111.db2.gz NDIJPDBCQLRXGM-BEFAXECRSA-N 1 2 344.459 2.125 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001014368672 1226533690 /nfs/dbraw/zinc/53/36/90/1226533690.db2.gz JNFVVYPNPQGLMP-MRXNPFEDSA-N 1 2 342.830 2.227 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001014368672 1226533695 /nfs/dbraw/zinc/53/36/95/1226533695.db2.gz JNFVVYPNPQGLMP-MRXNPFEDSA-N 1 2 342.830 2.227 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)nc2-c2ccco2)C1 ZINC001014399626 1226573031 /nfs/dbraw/zinc/57/30/31/1226573031.db2.gz QCZIXZSADMDVQR-GFCCVEGCSA-N 1 2 334.807 2.237 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nc2-c2ccco2)C1 ZINC001014399626 1226573037 /nfs/dbraw/zinc/57/30/37/1226573037.db2.gz QCZIXZSADMDVQR-GFCCVEGCSA-N 1 2 334.807 2.237 20 30 EEEDLO CC(C)CCc1noc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)n1 ZINC001054627051 1248763026 /nfs/dbraw/zinc/76/30/26/1248763026.db2.gz DNWYZWHFMWWCFG-GOEBONIOSA-N 1 2 344.459 2.008 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC23CC[NH+](Cc2nnc(C)[nH]2)CC3)CC1 ZINC001016808073 1226893875 /nfs/dbraw/zinc/89/38/75/1226893875.db2.gz QGGHDACYAFDQTB-MRXNPFEDSA-N 1 2 343.475 2.330 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@@H]1n1cccn1 ZINC001017628911 1227584816 /nfs/dbraw/zinc/58/48/16/1227584816.db2.gz TVUPTKMNSRRSLB-HCXYKTFWSA-N 1 2 340.471 2.313 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@@H]1n1cccn1 ZINC001017628911 1227584819 /nfs/dbraw/zinc/58/48/19/1227584819.db2.gz TVUPTKMNSRRSLB-HCXYKTFWSA-N 1 2 340.471 2.313 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1cc(C)ccn1 ZINC001017659660 1227612333 /nfs/dbraw/zinc/61/23/33/1227612333.db2.gz XMOIQNUKTUTAMS-CALCHBBNSA-N 1 2 325.456 2.366 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1cc(C)ccn1 ZINC001017659660 1227612335 /nfs/dbraw/zinc/61/23/35/1227612335.db2.gz XMOIQNUKTUTAMS-CALCHBBNSA-N 1 2 325.456 2.366 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001018908934 1228514166 /nfs/dbraw/zinc/51/41/66/1228514166.db2.gz DSQXOWNTXHCAPH-CABZTGNLSA-N 1 2 326.828 2.408 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC001019602515 1229207349 /nfs/dbraw/zinc/20/73/49/1229207349.db2.gz CJKAXXABPJVUNF-AWEZNQCLSA-N 1 2 331.807 2.028 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccn(C(F)F)n2)c1 ZINC001038295896 1229729060 /nfs/dbraw/zinc/72/90/60/1229729060.db2.gz KRIKSVVDKVSTJY-CQSZACIVSA-N 1 2 345.353 2.154 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccn(C(F)F)n2)c1 ZINC001038295896 1229729061 /nfs/dbraw/zinc/72/90/61/1229729061.db2.gz KRIKSVVDKVSTJY-CQSZACIVSA-N 1 2 345.353 2.154 20 30 EEEDLO Cn1nc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)cc1C1CC1 ZINC001038327709 1229747745 /nfs/dbraw/zinc/74/77/45/1229747745.db2.gz JYWNZMILFFIWLE-KRWDZBQOSA-N 1 2 349.438 2.173 20 30 EEEDLO Cn1nc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)cc1C1CC1 ZINC001038327709 1229747747 /nfs/dbraw/zinc/74/77/47/1229747747.db2.gz JYWNZMILFFIWLE-KRWDZBQOSA-N 1 2 349.438 2.173 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc3cccn3cn2)c1 ZINC001038394388 1229788606 /nfs/dbraw/zinc/78/86/06/1229788606.db2.gz QIKOBEYJSGKPEI-GOSISDBHSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc3cccn3cn2)c1 ZINC001038394388 1229788610 /nfs/dbraw/zinc/78/86/10/1229788610.db2.gz QIKOBEYJSGKPEI-GOSISDBHSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC001038477632 1229857747 /nfs/dbraw/zinc/85/77/47/1229857747.db2.gz WWSNXPGTRKLDNB-ICSRJNTNSA-N 1 2 347.418 2.252 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC001038477632 1229857751 /nfs/dbraw/zinc/85/77/51/1229857751.db2.gz WWSNXPGTRKLDNB-ICSRJNTNSA-N 1 2 347.418 2.252 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C)nc2C)nc1 ZINC001038942832 1230181550 /nfs/dbraw/zinc/18/15/50/1230181550.db2.gz LARZYCWMHHGAIN-GOSISDBHSA-N 1 2 334.423 2.079 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C)nc2C)nc1 ZINC001038942832 1230181552 /nfs/dbraw/zinc/18/15/52/1230181552.db2.gz LARZYCWMHHGAIN-GOSISDBHSA-N 1 2 334.423 2.079 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1COc2ccccc21 ZINC001039085752 1230291656 /nfs/dbraw/zinc/29/16/56/1230291656.db2.gz SLWYEPFAEICKCL-AZUAARDMSA-N 1 2 346.430 2.405 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1COc2ccccc21 ZINC001039085752 1230291659 /nfs/dbraw/zinc/29/16/59/1230291659.db2.gz SLWYEPFAEICKCL-AZUAARDMSA-N 1 2 346.430 2.405 20 30 EEEDLO C#CCCCC(=O)N(C)CCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001067288171 1230291857 /nfs/dbraw/zinc/29/18/57/1230291857.db2.gz MUPLXUPHKFAUHT-UHFFFAOYSA-N 1 2 340.427 2.058 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cnon2)C3)C1 ZINC001040380103 1231195987 /nfs/dbraw/zinc/19/59/87/1231195987.db2.gz NDZSWXRMWOMQMJ-SFHVURJKSA-N 1 2 330.432 2.240 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cnon2)C3)C1 ZINC001040380103 1231195989 /nfs/dbraw/zinc/19/59/89/1231195989.db2.gz NDZSWXRMWOMQMJ-SFHVURJKSA-N 1 2 330.432 2.240 20 30 EEEDLO C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(-c4nnc[nH]4)cc3)C2)C1 ZINC001040479891 1231254414 /nfs/dbraw/zinc/25/44/14/1231254414.db2.gz XAMPEPQWLGLTIK-HXUWFJFHSA-N 1 2 349.438 2.033 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(-c4nnc[nH]4)cc3)C2)C1 ZINC001040479891 1231254419 /nfs/dbraw/zinc/25/44/19/1231254419.db2.gz XAMPEPQWLGLTIK-HXUWFJFHSA-N 1 2 349.438 2.033 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC2(C1)CC[NH+](Cc1ncnn1C)CC2 ZINC001040797642 1231371789 /nfs/dbraw/zinc/37/17/89/1231371789.db2.gz CDXOXOMXLYEIGF-UHFFFAOYSA-N 1 2 345.491 2.232 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(c3cc[nH+]c(C)n3)CC2(C)C)nc1 ZINC001067328825 1231389825 /nfs/dbraw/zinc/38/98/25/1231389825.db2.gz TXMUWTJXDNBLTK-QGZVFWFLSA-N 1 2 349.438 2.196 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ncnn3CC)C2)C1 ZINC001041624834 1231628678 /nfs/dbraw/zinc/62/86/78/1231628678.db2.gz DDGHVSMHLQMDSE-RBUKOAKNSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ncnn3CC)C2)C1 ZINC001041624834 1231628681 /nfs/dbraw/zinc/62/86/81/1231628681.db2.gz DDGHVSMHLQMDSE-RBUKOAKNSA-N 1 2 345.491 2.325 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(CC)o3)[C@@H]2C1 ZINC001042183367 1231942299 /nfs/dbraw/zinc/94/22/99/1231942299.db2.gz PBAWRZVAFIHCHO-ZIAGYGMSSA-N 1 2 332.448 2.267 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(CC)o3)[C@@H]2C1 ZINC001042183367 1231942302 /nfs/dbraw/zinc/94/23/02/1231942302.db2.gz PBAWRZVAFIHCHO-ZIAGYGMSSA-N 1 2 332.448 2.267 20 30 EEEDLO COc1ccc(C[NH+]2CC(N(C)C(=O)c3cc(C#N)c[nH]3)C2)cc1C ZINC001042589938 1232113782 /nfs/dbraw/zinc/11/37/82/1232113782.db2.gz PONVRLOBGHKBNM-UHFFFAOYSA-N 1 2 338.411 2.160 20 30 EEEDLO Cc1ccccc1OCC[NH+]1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001042628276 1232124810 /nfs/dbraw/zinc/12/48/10/1232124810.db2.gz DZWDABZJSUPBOD-UHFFFAOYSA-N 1 2 338.411 2.030 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCCCN(CC)c1[nH+]cnc2c1cnn2C ZINC001095946343 1232470382 /nfs/dbraw/zinc/47/03/82/1232470382.db2.gz BBVOKJQHLIUNET-AWEZNQCLSA-N 1 2 344.463 2.298 20 30 EEEDLO CC1(NC(=O)c2cocn2)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001045382039 1233707651 /nfs/dbraw/zinc/70/76/51/1233707651.db2.gz XFGFMZGDSYRLES-UHFFFAOYSA-N 1 2 342.374 2.470 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001096034866 1233814970 /nfs/dbraw/zinc/81/49/70/1233814970.db2.gz ZSMDHQDYYLGCPF-OWYFMNJBSA-N 1 2 347.484 2.264 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001096034866 1233814975 /nfs/dbraw/zinc/81/49/75/1233814975.db2.gz ZSMDHQDYYLGCPF-OWYFMNJBSA-N 1 2 347.484 2.264 20 30 EEEDLO CC1=C(C)C[C@@](C)(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046087212 1234423963 /nfs/dbraw/zinc/42/39/63/1234423963.db2.gz 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/nfs/dbraw/zinc/24/35/11/1238243511.db2.gz WVQXKIOGXHJSIT-QGZVFWFLSA-N 1 2 338.411 2.437 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001056371624 1239270005 /nfs/dbraw/zinc/27/00/05/1239270005.db2.gz ZNMVHFQKAFHRKU-CVEARBPZSA-N 1 2 344.459 2.291 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056456631 1239390357 /nfs/dbraw/zinc/39/03/57/1239390357.db2.gz SQXCJJOXWZADGA-HZPDHXFCSA-N 1 2 344.459 2.077 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056457122 1239390817 /nfs/dbraw/zinc/39/08/17/1239390817.db2.gz YTUWWJWDHUNDRF-GVDBMIGSSA-N 1 2 344.459 2.077 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001056711905 1239706781 /nfs/dbraw/zinc/70/67/81/1239706781.db2.gz DXMFNEOKRQBVPS-JKSUJKDBSA-N 1 2 344.459 2.148 20 30 EEEDLO C[C@H](CC(=O)N[C@H]1CCN(c2cccc(F)c2C#N)C1)n1cc[nH+]c1 ZINC001096487810 1240102219 /nfs/dbraw/zinc/10/22/19/1240102219.db2.gz 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ZINC001000695220 1240749403 /nfs/dbraw/zinc/74/94/03/1240749403.db2.gz HZYBTPLCZXZKBZ-MSOLQXFVSA-N 1 2 345.443 2.213 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ccnn2C(F)F)CC1 ZINC001000730287 1240811628 /nfs/dbraw/zinc/81/16/28/1240811628.db2.gz NZQWSMLDVTZTMA-UHFFFAOYSA-N 1 2 330.766 2.393 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ccnn2C(F)F)CC1 ZINC001000730287 1240811632 /nfs/dbraw/zinc/81/16/32/1240811632.db2.gz NZQWSMLDVTZTMA-UHFFFAOYSA-N 1 2 330.766 2.393 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccon1 ZINC001049482430 1241088247 /nfs/dbraw/zinc/08/82/47/1241088247.db2.gz XRKXFSZYXIUYMR-OWSLCNJRSA-N 1 2 345.443 2.221 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccon1 ZINC001049482430 1241088255 /nfs/dbraw/zinc/08/82/55/1241088255.db2.gz XRKXFSZYXIUYMR-OWSLCNJRSA-N 1 2 345.443 2.221 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2c(C)nn(C)c2Cl)CC1 ZINC001001010085 1241442734 /nfs/dbraw/zinc/44/27/34/1241442734.db2.gz 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1243551349 /nfs/dbraw/zinc/55/13/49/1243551349.db2.gz CZHGJDCBCGBXDS-ZACQAIPSSA-N 1 2 348.406 2.194 20 30 EEEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncccc2O)C3)cc1 ZINC001096990986 1243551358 /nfs/dbraw/zinc/55/13/58/1243551358.db2.gz CZHGJDCBCGBXDS-ZACQAIPSSA-N 1 2 348.406 2.194 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001097257152 1243881640 /nfs/dbraw/zinc/88/16/40/1243881640.db2.gz HLDSZGPAPVXAEL-UPJWGTAASA-N 1 2 341.390 2.358 20 30 EEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001097257152 1243881645 /nfs/dbraw/zinc/88/16/45/1243881645.db2.gz HLDSZGPAPVXAEL-UPJWGTAASA-N 1 2 341.390 2.358 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2C[C@@H](Nc3[nH+]cnc4c3cnn4C)C2)CC1 ZINC001097248505 1243892949 /nfs/dbraw/zinc/89/29/49/1243892949.db2.gz KEGWXLFTHPJVGN-BETUJISGSA-N 1 2 340.431 2.169 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(C)c1CCC)C2 ZINC001097426199 1244151770 /nfs/dbraw/zinc/15/17/70/1244151770.db2.gz AYMYKTFMFRAFPT-XPKDYRNWSA-N 1 2 336.867 2.460 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(C)c1CCC)C2 ZINC001097426199 1244151776 /nfs/dbraw/zinc/15/17/76/1244151776.db2.gz AYMYKTFMFRAFPT-XPKDYRNWSA-N 1 2 336.867 2.460 20 30 EEEDLO C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)n[nH]c1C(F)(F)F)C2 ZINC001097556241 1244357850 /nfs/dbraw/zinc/35/78/50/1244357850.db2.gz QGPTZVSBWJGPQH-UTUOFQBUSA-N 1 2 340.349 2.095 20 30 EEEDLO C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)n[nH]c1C(F)(F)F)C2 ZINC001097556241 1244357853 /nfs/dbraw/zinc/35/78/53/1244357853.db2.gz QGPTZVSBWJGPQH-UTUOFQBUSA-N 1 2 340.349 2.095 20 30 EEEDLO C=CCOCC(=O)N1CC[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001098512453 1244413370 /nfs/dbraw/zinc/41/33/70/1244413370.db2.gz CSCYACDGJULSCJ-CQSZACIVSA-N 1 2 330.432 2.125 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2COCC[N@@H+]2CCCC2CCCC2)c1 ZINC001050866743 1244517491 /nfs/dbraw/zinc/51/74/91/1244517491.db2.gz 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C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccn(C2CCCC2)n1 ZINC001050939333 1244669649 /nfs/dbraw/zinc/66/96/49/1244669649.db2.gz GGCMVMAKPXWHAU-INIZCTEOSA-N 1 2 332.448 2.005 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001050956661 1244723527 /nfs/dbraw/zinc/72/35/27/1244723527.db2.gz WSVVHNXZAMYBKA-WMZOPIPTSA-N 1 2 344.455 2.118 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001050956661 1244723536 /nfs/dbraw/zinc/72/35/36/1244723536.db2.gz WSVVHNXZAMYBKA-WMZOPIPTSA-N 1 2 344.455 2.118 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC001051053210 1244914887 /nfs/dbraw/zinc/91/48/87/1244914887.db2.gz AOSQGVXLDAWEFO-OAHLLOKOSA-N 1 2 331.391 2.314 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC001051053210 1244914895 /nfs/dbraw/zinc/91/48/95/1244914895.db2.gz AOSQGVXLDAWEFO-OAHLLOKOSA-N 1 2 331.391 2.314 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Cl)cc1OC ZINC001051087867 1244960872 /nfs/dbraw/zinc/96/08/72/1244960872.db2.gz VUBSHQPDSKDXOJ-AWEZNQCLSA-N 1 2 338.835 2.355 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Cl)cc1OC ZINC001051087867 1244960881 /nfs/dbraw/zinc/96/08/81/1244960881.db2.gz VUBSHQPDSKDXOJ-AWEZNQCLSA-N 1 2 338.835 2.355 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(N2CC=CC2)cc1 ZINC001051111842 1244996994 /nfs/dbraw/zinc/99/69/94/1244996994.db2.gz ZGVKRDMIUVAFJO-LJQANCHMSA-N 1 2 341.455 2.070 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(N2CC=CC2)cc1 ZINC001051111842 1244997002 /nfs/dbraw/zinc/99/70/02/1244997002.db2.gz ZGVKRDMIUVAFJO-LJQANCHMSA-N 1 2 341.455 2.070 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001051167531 1245076160 /nfs/dbraw/zinc/07/61/60/1245076160.db2.gz VUOQYVUPJDHTRQ-YOEHRIQHSA-N 1 2 330.428 2.017 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001051167531 1245076170 /nfs/dbraw/zinc/07/61/70/1245076170.db2.gz VUOQYVUPJDHTRQ-YOEHRIQHSA-N 1 2 330.428 2.017 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OC(C)C)cc1 ZINC001051235495 1245424754 /nfs/dbraw/zinc/42/47/54/1245424754.db2.gz PZXBFLPYRDFWMH-KRWDZBQOSA-N 1 2 332.444 2.481 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OC(C)C)cc1 ZINC001051235495 1245424756 /nfs/dbraw/zinc/42/47/56/1245424756.db2.gz PZXBFLPYRDFWMH-KRWDZBQOSA-N 1 2 332.444 2.481 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001053032119 1245721936 /nfs/dbraw/zinc/72/19/36/1245721936.db2.gz JLLIGDHUSOXVII-CABCVRRESA-N 1 2 346.475 2.254 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]([C@H](C)NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001051514088 1245808437 /nfs/dbraw/zinc/80/84/37/1245808437.db2.gz CERNSFVGTBUHBA-HOCLYGCPSA-N 1 2 344.459 2.052 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001053076522 1245834648 /nfs/dbraw/zinc/83/46/48/1245834648.db2.gz ZPDFAIQJMFJMPF-HZPDHXFCSA-N 1 2 346.475 2.086 20 30 EEEDLO Cc1nc(NCCN(C)C(=O)c2c[nH]c(C#N)c2)c2c([nH+]1)CCCC2 ZINC001101565316 1245965673 /nfs/dbraw/zinc/96/56/73/1245965673.db2.gz JGCFPAZSCJWQHA-UHFFFAOYSA-N 1 2 338.415 2.048 20 30 EEEDLO Cc1ccccc1[C@@H](C)[NH+]1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 ZINC001053190858 1246030000 /nfs/dbraw/zinc/03/00/00/1246030000.db2.gz HDOPFUDLMCPPMG-HZPDHXFCSA-N 1 2 327.428 2.129 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H](C)n1cccc1)c1nccn12 ZINC001101650846 1246082731 /nfs/dbraw/zinc/08/27/31/1246082731.db2.gz CQKWPGHYNWAEKY-HZPDHXFCSA-N 1 2 339.443 2.094 20 30 EEEDLO C=CCC1(C(=O)N(C)CCNc2nc(N(C)C)nc(C)[nH+]2)CCCC1 ZINC001101674934 1246112810 /nfs/dbraw/zinc/11/28/10/1246112810.db2.gz KLZYBCLNYVMSLR-UHFFFAOYSA-N 1 2 346.479 2.253 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)/C=C(/C)C3CC3)C2)CC1 ZINC001051990195 1246350583 /nfs/dbraw/zinc/35/05/83/1246350583.db2.gz NXEZEZFZGXSNPU-VWILAXROSA-N 1 2 337.895 2.314 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(C)c(OCC)c1)CCO2 ZINC001053456341 1246352955 /nfs/dbraw/zinc/35/29/55/1246352955.db2.gz NWRCNPIHNPPSIE-UHFFFAOYSA-N 1 2 344.455 2.497 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](OC)c1ccc(F)cc1)CCO2 ZINC001053547133 1246459510 /nfs/dbraw/zinc/45/95/10/1246459510.db2.gz GDJIHYRNUCPYCE-KRWDZBQOSA-N 1 2 348.418 2.003 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C(C)(C)C(F)F)C2)CC1 ZINC001052082571 1246460997 /nfs/dbraw/zinc/46/09/97/1246460997.db2.gz UTPWXUUNSDWRPD-AWEZNQCLSA-N 1 2 329.435 2.072 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C3(C(F)(F)F)CC3)C2)CC1 ZINC001052086704 1246465062 /nfs/dbraw/zinc/46/50/62/1246465062.db2.gz GGFYBPQMGUCEEO-CQSZACIVSA-N 1 2 345.409 2.124 20 30 EEEDLO C=Cc1ccc(C(=O)N2CC[C@H](N3CC[NH+](CC#CC)CC3)C2)cc1 ZINC001052087153 1246466155 /nfs/dbraw/zinc/46/61/55/1246466155.db2.gz ZYVUBSYCVJHPEB-FQEVSTJZSA-N 1 2 337.467 2.185 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccsc3Cl)C2)CC1 ZINC001052093827 1246473462 /nfs/dbraw/zinc/47/34/62/1246473462.db2.gz PZFOJVGIWSYERD-ZDUSSCGKSA-N 1 2 339.892 2.420 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cncc3[nH]ccc31)O2 ZINC001053624290 1246550352 /nfs/dbraw/zinc/55/03/52/1246550352.db2.gz NZMLLVMQPZYZFZ-CQSZACIVSA-N 1 2 340.427 2.102 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1sc(C)cc1OC)O2 ZINC001053674796 1246627096 /nfs/dbraw/zinc/62/70/96/1246627096.db2.gz WDVDDKOJGDAQLD-ZDUSSCGKSA-N 1 2 336.457 2.214 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1sccc1C)CO2 ZINC001053801036 1246805009 /nfs/dbraw/zinc/80/50/09/1246805009.db2.gz CLTXRSQLJZVZJC-BZUAXINKSA-N 1 2 344.480 2.143 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(OCCC)c1)CO2 ZINC001053821176 1246843021 /nfs/dbraw/zinc/84/30/21/1246843021.db2.gz XBLPXTRFVPVSCR-KRWDZBQOSA-N 1 2 342.439 2.072 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)noc1C(C)C)CO2 ZINC001053835428 1246873156 /nfs/dbraw/zinc/87/31/56/1246873156.db2.gz JBSOIVIXUKWVIC-CQSZACIVSA-N 1 2 333.432 2.256 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc3ccc(C)nc31)CO2 ZINC001053839358 1246885967 /nfs/dbraw/zinc/88/59/67/1246885967.db2.gz CQHGMNDFPXSKKY-KRWDZBQOSA-N 1 2 349.434 2.140 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccc(C)c(Cl)c1)CO2 ZINC001053844274 1246895709 /nfs/dbraw/zinc/89/57/09/1246895709.db2.gz FLKSOSFOYSFJLV-MRXNPFEDSA-N 1 2 346.858 2.174 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)ccc1OC)CO2 ZINC001053864812 1246931839 /nfs/dbraw/zinc/93/18/39/1246931839.db2.gz KGZMZUJJZVHIMV-HNNXBMFYSA-N 1 2 330.428 2.153 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc3cc[nH]c31)CO2 ZINC001053929545 1247025499 /nfs/dbraw/zinc/02/54/99/1247025499.db2.gz CBGHIFGKVXDPQN-OAHLLOKOSA-N 1 2 325.412 2.317 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc([C@H](C)CC)no1)CO2 ZINC001053947988 1247052541 /nfs/dbraw/zinc/05/25/41/1247052541.db2.gz DGYFTXLPZGULHG-KGLIPLIRSA-N 1 2 333.432 2.337 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CCC3(CCC3)CO1)CO2 ZINC001053988952 1247114616 /nfs/dbraw/zinc/11/46/16/1247114616.db2.gz VECJOIRAFZESEU-SJORKVTESA-N 1 2 348.487 2.261 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001054033273 1247181621 /nfs/dbraw/zinc/18/16/21/1247181621.db2.gz PPTDILDLTXUYBE-SFHVURJKSA-N 1 2 336.439 2.152 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC001054033273 1247181627 /nfs/dbraw/zinc/18/16/27/1247181627.db2.gz PPTDILDLTXUYBE-SFHVURJKSA-N 1 2 336.439 2.152 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cncc(F)c1 ZINC001054036031 1247189976 /nfs/dbraw/zinc/18/99/76/1247189976.db2.gz AHQFIQLEETUUGP-LJQANCHMSA-N 1 2 337.398 2.401 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cncc(F)c1 ZINC001054036031 1247189980 /nfs/dbraw/zinc/18/99/80/1247189980.db2.gz AHQFIQLEETUUGP-LJQANCHMSA-N 1 2 337.398 2.401 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1coc(CC)n1 ZINC001054039016 1247196055 /nfs/dbraw/zinc/19/60/55/1247196055.db2.gz RSLPPWKHCUFYIJ-QGZVFWFLSA-N 1 2 337.423 2.417 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1coc(CC)n1 ZINC001054039016 1247196058 /nfs/dbraw/zinc/19/60/58/1247196058.db2.gz RSLPPWKHCUFYIJ-QGZVFWFLSA-N 1 2 337.423 2.417 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cnn(CCC)c1 ZINC001054054061 1247248582 /nfs/dbraw/zinc/24/85/82/1247248582.db2.gz JLFSGPOWYOLYNA-IBGZPJMESA-N 1 2 336.439 2.083 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cnn(CCC)c1 ZINC001054054061 1247248592 /nfs/dbraw/zinc/24/85/92/1247248592.db2.gz JLFSGPOWYOLYNA-IBGZPJMESA-N 1 2 336.439 2.083 20 30 EEEDLO C[C@H](CC(=O)N1CCC[C@@H](Nc2ncccc2C#N)C1)n1cc[nH+]c1 ZINC001057763800 1247292117 /nfs/dbraw/zinc/29/21/17/1247292117.db2.gz GLJOJAZPTHXMGU-GDBMZVCRSA-N 1 2 338.415 2.204 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cncc1C)C2 ZINC001054165715 1247583179 /nfs/dbraw/zinc/58/31/79/1247583179.db2.gz NEBSVAPEBYOECY-QGZVFWFLSA-N 1 2 336.867 2.259 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cncc1C)C2 ZINC001054165715 1247583189 /nfs/dbraw/zinc/58/31/89/1247583189.db2.gz NEBSVAPEBYOECY-QGZVFWFLSA-N 1 2 336.867 2.259 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH]c(C)cc1=O)C2 ZINC001054221830 1247758935 /nfs/dbraw/zinc/75/89/35/1247758935.db2.gz CUTIVOCOWQRIIL-SFHVURJKSA-N 1 2 349.862 2.364 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1c[nH]c(C)cc1=O)C2 ZINC001054221830 1247758939 /nfs/dbraw/zinc/75/89/39/1247758939.db2.gz CUTIVOCOWQRIIL-SFHVURJKSA-N 1 2 349.862 2.364 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(C)nnc3CC)cc2C1 ZINC001054271418 1247963085 /nfs/dbraw/zinc/96/30/85/1247963085.db2.gz NSCKHXSSCAOLQP-UHFFFAOYSA-N 1 2 334.423 2.226 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(C)nnc3CC)cc2C1 ZINC001054271418 1247963092 /nfs/dbraw/zinc/96/30/92/1247963092.db2.gz NSCKHXSSCAOLQP-UHFFFAOYSA-N 1 2 334.423 2.226 20 30 EEEDLO Cc1nc(N2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)c(C)c(C)[nH+]1 ZINC001057845400 1247978489 /nfs/dbraw/zinc/97/84/89/1247978489.db2.gz CBVFSGOUOQZPEK-UHFFFAOYSA-N 1 2 338.415 2.000 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001054498414 1248508717 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ZINC001220203488 1298299684 /nfs/dbraw/zinc/29/96/84/1298299684.db2.gz HTVOGTMBOHXFFK-IPELMVKDSA-N 1 2 345.487 2.469 20 30 EEEDLO CC(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001220629172 1298481540 /nfs/dbraw/zinc/48/15/40/1298481540.db2.gz WBLJHWSPIOIOKN-LZQZEXGQSA-N 1 2 346.446 2.021 20 30 EEEDLO CC(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001220629172 1298481544 /nfs/dbraw/zinc/48/15/44/1298481544.db2.gz WBLJHWSPIOIOKN-LZQZEXGQSA-N 1 2 346.446 2.021 20 30 EEEDLO CCCCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220895786 1298576079 /nfs/dbraw/zinc/57/60/79/1298576079.db2.gz LZTMXFGJNQFNIW-MOPGFXCFSA-N 1 2 328.456 2.170 20 30 EEEDLO CCCCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220895786 1298576083 /nfs/dbraw/zinc/57/60/83/1298576083.db2.gz LZTMXFGJNQFNIW-MOPGFXCFSA-N 1 2 328.456 2.170 20 30 EEEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O)c1ccccc1 ZINC001221029063 1298625609 /nfs/dbraw/zinc/62/56/09/1298625609.db2.gz JUPUFRIQOGNJLZ-CQHHLICSSA-N 1 2 334.847 2.260 20 30 EEEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O)c1ccccc1 ZINC001221029063 1298625608 /nfs/dbraw/zinc/62/56/08/1298625608.db2.gz JUPUFRIQOGNJLZ-CQHHLICSSA-N 1 2 334.847 2.260 20 30 EEEDLO CCOCC(=O)N1C[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001221245510 1298726448 /nfs/dbraw/zinc/72/64/48/1298726448.db2.gz QIONJLFWSAHAGF-SJLPKXTDSA-N 1 2 346.858 2.261 20 30 EEEDLO CCOCC(=O)N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC001221245510 1298726453 /nfs/dbraw/zinc/72/64/53/1298726453.db2.gz QIONJLFWSAHAGF-SJLPKXTDSA-N 1 2 346.858 2.261 20 30 EEEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)c3ncccn3)C[C@H]21 ZINC001221754441 1299050153 /nfs/dbraw/zinc/05/01/53/1299050153.db2.gz JUXGAZNUCOHGAW-BRWVUGGUSA-N 1 2 326.444 2.264 20 30 EEEDLO CC#CCCCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)c3ncccn3)C[C@H]21 ZINC001221754441 1299050157 /nfs/dbraw/zinc/05/01/57/1299050157.db2.gz JUXGAZNUCOHGAW-BRWVUGGUSA-N 1 2 326.444 2.264 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3c(C)nnn3CC)C[C@H]21 ZINC001221759055 1299057268 /nfs/dbraw/zinc/05/72/68/1299057268.db2.gz MZBQWEVGQLGZQR-YXJHDRRASA-N 1 2 345.491 2.241 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3c(C)nnn3CC)C[C@H]21 ZINC001221759055 1299057286 /nfs/dbraw/zinc/05/72/86/1299057286.db2.gz MZBQWEVGQLGZQR-YXJHDRRASA-N 1 2 345.491 2.241 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[N@H+](Cc3snnc3C)C[C@H]21 ZINC001221761987 1299065150 /nfs/dbraw/zinc/06/51/50/1299065150.db2.gz JHOULJYLPWTBBZ-RRFJBIMHSA-N 1 2 334.489 2.482 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[N@@H+](Cc3snnc3C)C[C@H]21 ZINC001221761987 1299065161 /nfs/dbraw/zinc/06/51/61/1299065161.db2.gz JHOULJYLPWTBBZ-RRFJBIMHSA-N 1 2 334.489 2.482 20 30 EEEDLO C=CCCOCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(C4CC4)no3)C[C@H]21 ZINC001222075029 1299327558 /nfs/dbraw/zinc/32/75/58/1299327558.db2.gz ABBAFPAHTKPNGY-CRAIPNDOSA-N 1 2 345.443 2.177 20 30 EEEDLO C=CCCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C4CC4)no3)C[C@H]21 ZINC001222075029 1299327567 /nfs/dbraw/zinc/32/75/67/1299327567.db2.gz ABBAFPAHTKPNGY-CRAIPNDOSA-N 1 2 345.443 2.177 20 30 EEEDLO C[C@H](C#N)C(=O)NCC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001222635814 1299744288 /nfs/dbraw/zinc/74/42/88/1299744288.db2.gz BTGDXMCPAFSGGT-SNVBAGLBSA-N 1 2 326.853 2.284 20 30 EEEDLO CCn1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C#CC(C)(C)C)C[C@@H]32)n1 ZINC001222661952 1299765682 /nfs/dbraw/zinc/76/56/82/1299765682.db2.gz TYJYFJBTSUITKD-AEFFLSMTSA-N 1 2 342.487 2.375 20 30 EEEDLO CCn1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C#CC(C)(C)C)C[C@@H]32)n1 ZINC001222661952 1299765698 /nfs/dbraw/zinc/76/56/98/1299765698.db2.gz TYJYFJBTSUITKD-AEFFLSMTSA-N 1 2 342.487 2.375 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3CC)[C@H]2C1 ZINC001223586796 1300183475 /nfs/dbraw/zinc/18/34/75/1300183475.db2.gz HVSCNKRAWZJZHK-CVEARBPZSA-N 1 2 345.491 2.323 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3CC)[C@H]2C1 ZINC001223586796 1300183483 /nfs/dbraw/zinc/18/34/83/1300183483.db2.gz HVSCNKRAWZJZHK-CVEARBPZSA-N 1 2 345.491 2.323 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC1CC[NH+](Cc2cnn(CC)n2)CC1 ZINC001224025385 1300382371 /nfs/dbraw/zinc/38/23/71/1300382371.db2.gz UBOFPLPVBKVDJS-UHFFFAOYSA-N 1 2 333.480 2.229 20 30 EEEDLO C=CC(C)(C)C(=O)NCC1CC[NH+](Cc2nc(C3CC3)nn2C)CC1 ZINC001224056933 1300399895 /nfs/dbraw/zinc/39/98/95/1300399895.db2.gz ALKNJWVVBIHSTL-UHFFFAOYSA-N 1 2 345.491 2.233 20 30 EEEDLO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)NC2(C#N)CCC2)cc1C#N ZINC001276989215 1300694411 /nfs/dbraw/zinc/69/44/11/1300694411.db2.gz DTKXOLLEJCAKTF-FXAWDEMLSA-N 1 2 334.423 2.394 20 30 EEEDLO Cc1ccc(C[N@H+]2CC[C@H]3C[C@]32C(=O)NC2(C#N)CCC2)cc1C#N ZINC001276989215 1300694415 /nfs/dbraw/zinc/69/44/15/1300694415.db2.gz DTKXOLLEJCAKTF-FXAWDEMLSA-N 1 2 334.423 2.394 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CC[C@@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001102434446 1301042498 /nfs/dbraw/zinc/04/24/98/1301042498.db2.gz CCEBEVGQSNUVIM-ZBFHGGJFSA-N 1 2 332.448 2.051 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001102453324 1301084639 /nfs/dbraw/zinc/08/46/39/1301084639.db2.gz FOYFSICSOLPDBR-APWZRJJASA-N 1 2 346.475 2.299 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NC1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC001226447521 1301416104 /nfs/dbraw/zinc/41/61/04/1301416104.db2.gz NMWKNWUHEGPLPW-CABCVRRESA-N 1 2 332.448 2.099 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC1CC[NH+]([C@@H](C)c2nc(C)no2)CC1 ZINC001226447532 1301416130 /nfs/dbraw/zinc/41/61/30/1301416130.db2.gz NNTMRAMIXPLWCV-QWHCGFSZSA-N 1 2 336.436 2.001 20 30 EEEDLO C=CCCC(=O)NC1CC[NH+](CC(=O)N[C@@H](C)c2cccs2)CC1 ZINC001226518338 1301445789 /nfs/dbraw/zinc/44/57/89/1301445789.db2.gz GNEGHEMYSQPWMH-AWEZNQCLSA-N 1 2 349.500 2.472 20 30 EEEDLO C=CCO[C@H](C)C(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102715747 1301482680 /nfs/dbraw/zinc/48/26/80/1301482680.db2.gz HQQFVYNRHWGPNZ-ZBFHGGJFSA-N 1 2 344.459 2.291 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001227124463 1301699809 /nfs/dbraw/zinc/69/98/09/1301699809.db2.gz UBCBKSVVIUAEMY-SFHVURJKSA-N 1 2 335.448 2.206 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2[nH]c(=O)nc3[nH]ccc32)C1 ZINC001227271609 1301758215 /nfs/dbraw/zinc/75/82/15/1301758215.db2.gz YDDXEPFYFQFNMY-AWEZNQCLSA-N 1 2 335.367 2.188 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2[nH]c(=O)nc3[nH]ccc32)C1 ZINC001227271609 1301758219 /nfs/dbraw/zinc/75/82/19/1301758219.db2.gz YDDXEPFYFQFNMY-AWEZNQCLSA-N 1 2 335.367 2.188 20 30 EEEDLO N#Cc1cccc(NC(=O)N2C[C@@H]3COC[C@H](C2)[N@@H+]3C2CCCC2)c1 ZINC001277199045 1301778923 /nfs/dbraw/zinc/77/89/23/1301778923.db2.gz KXJPSTQDLQROBD-HDICACEKSA-N 1 2 340.427 2.418 20 30 EEEDLO N#Cc1cccc(NC(=O)N2C[C@@H]3COC[C@H](C2)[N@H+]3C2CCCC2)c1 ZINC001277199045 1301778930 /nfs/dbraw/zinc/77/89/30/1301778930.db2.gz KXJPSTQDLQROBD-HDICACEKSA-N 1 2 340.427 2.418 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCCCN(c2cc[nH+]c(C)n2)C1 ZINC001102880243 1301835229 /nfs/dbraw/zinc/83/52/29/1301835229.db2.gz DILRWSYJRFTFSQ-APWZRJJASA-N 1 2 346.475 2.489 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NC1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001228467994 1302276019 /nfs/dbraw/zinc/27/60/19/1302276019.db2.gz ZYMGTGGCKISYPU-GOSISDBHSA-N 1 2 335.448 2.292 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H](OC)C2CCC2)CC1 ZINC001228483900 1302284563 /nfs/dbraw/zinc/28/45/63/1302284563.db2.gz YHPWVCOKLWTVHN-AWEZNQCLSA-N 1 2 345.281 2.291 20 30 EEEDLO Cc1cc(Br)ncc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001228707753 1302396143 /nfs/dbraw/zinc/39/61/43/1302396143.db2.gz XRYNFJHPPAQALL-OTDFPYDRSA-N 1 2 325.206 2.144 20 30 EEEDLO Cc1cc(Br)ncc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001228707753 1302396153 /nfs/dbraw/zinc/39/61/53/1302396153.db2.gz XRYNFJHPPAQALL-OTDFPYDRSA-N 1 2 325.206 2.144 20 30 EEEDLO C=CCC1(C(=O)NC2CC[NH+](Cc3cn(CC)nn3)CC2)CCC1 ZINC001229037452 1302585024 /nfs/dbraw/zinc/58/50/24/1302585024.db2.gz LDHUZPJZKQRQNC-UHFFFAOYSA-N 1 2 331.464 2.125 20 30 EEEDLO C=CCCC1(C(=O)NC2CC[NH+](Cc3cn(CC)nn3)CC2)CC1 ZINC001229049324 1302591145 /nfs/dbraw/zinc/59/11/45/1302591145.db2.gz ZTUXBGLPVPFZDC-UHFFFAOYSA-N 1 2 331.464 2.125 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H](CC)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001103288366 1302655237 /nfs/dbraw/zinc/65/52/37/1302655237.db2.gz YIXFJEGRMOMSBJ-KBPBESRZSA-N 1 2 334.468 2.155 20 30 EEEDLO CC[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)Nc1nc(C)ccc1C#N ZINC001103325922 1302740044 /nfs/dbraw/zinc/74/00/44/1302740044.db2.gz AGRRASGILGBATF-GDBMZVCRSA-N 1 2 340.431 2.416 20 30 EEEDLO C[C@@](CNc1ccc(C#N)cn1)(NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001103581888 1303130191 /nfs/dbraw/zinc/13/01/91/1303130191.db2.gz KAWGNJUAUOVAMS-SFHVURJKSA-N 1 2 338.415 2.006 20 30 EEEDLO C[C@@](CNc1ccc(C#N)cn1)(NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001103581888 1303130195 /nfs/dbraw/zinc/13/01/95/1303130195.db2.gz KAWGNJUAUOVAMS-SFHVURJKSA-N 1 2 338.415 2.006 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001103650121 1303188230 /nfs/dbraw/zinc/18/82/30/1303188230.db2.gz CTMBXLJKPIBMCG-HDJSIYSDSA-N 1 2 346.479 2.298 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001103703499 1303245533 /nfs/dbraw/zinc/24/55/33/1303245533.db2.gz MLNSGVMKLKTAAT-SJORKVTESA-N 1 2 344.459 2.099 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)C[C@H]1CCCO1 ZINC001230867689 1303512589 /nfs/dbraw/zinc/51/25/89/1303512589.db2.gz XGRJGXJHOOVRPR-DLBZAZTESA-N 1 2 345.418 2.299 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)C[C@H]1CCCO1 ZINC001230867689 1303512593 /nfs/dbraw/zinc/51/25/93/1303512593.db2.gz XGRJGXJHOOVRPR-DLBZAZTESA-N 1 2 345.418 2.299 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C/CC ZINC001231007328 1303587222 /nfs/dbraw/zinc/58/72/22/1303587222.db2.gz YTGRSUJYMURLRW-JDZKTDJGSA-N 1 2 333.476 2.076 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C/CC ZINC001231007328 1303587227 /nfs/dbraw/zinc/58/72/27/1303587227.db2.gz YTGRSUJYMURLRW-JDZKTDJGSA-N 1 2 333.476 2.076 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1C[C@@H](O)c1ccc(F)cc1F ZINC001231121182 1303640412 /nfs/dbraw/zinc/64/04/12/1303640412.db2.gz ANMAFUDUHMHOGV-RHSMWYFYSA-N 1 2 338.398 2.497 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1C[C@@H](O)c1ccc(F)cc1F ZINC001231121182 1303640419 /nfs/dbraw/zinc/64/04/19/1303640419.db2.gz ANMAFUDUHMHOGV-RHSMWYFYSA-N 1 2 338.398 2.497 20 30 EEEDLO CO[C@H](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001231147308 1303652356 /nfs/dbraw/zinc/65/23/56/1303652356.db2.gz AOOUKOVTSSQWBU-CJNGLKHVSA-N 1 2 333.407 2.155 20 30 EEEDLO CO[C@H](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001231147308 1303652358 /nfs/dbraw/zinc/65/23/58/1303652358.db2.gz AOOUKOVTSSQWBU-CJNGLKHVSA-N 1 2 333.407 2.155 20 30 EEEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)c1 ZINC001232675243 1304210946 /nfs/dbraw/zinc/21/09/46/1304210946.db2.gz OGNFOJOVYYUCSD-ZWKOTPCHSA-N 1 2 348.406 2.034 20 30 EEEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)c1 ZINC001232675243 1304210952 /nfs/dbraw/zinc/21/09/52/1304210952.db2.gz OGNFOJOVYYUCSD-ZWKOTPCHSA-N 1 2 348.406 2.034 20 30 EEEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCn3cnc(Cn4cccn4)c3C2)c1 ZINC001232676812 1304211023 /nfs/dbraw/zinc/21/10/23/1304211023.db2.gz SCUJLDONHSMHOD-UHFFFAOYSA-N 1 2 348.410 2.111 20 30 EEEDLO N#Cc1ccc(O)c(C[N@H+]2CCCn3cnc(Cn4cccn4)c3C2)c1 ZINC001232676812 1304211031 /nfs/dbraw/zinc/21/10/31/1304211031.db2.gz SCUJLDONHSMHOD-UHFFFAOYSA-N 1 2 348.410 2.111 20 30 EEEDLO CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232676794 1304211530 /nfs/dbraw/zinc/21/15/30/1304211530.db2.gz DKYNJHBOTWCPON-HNNXBMFYSA-N 1 2 326.400 2.129 20 30 EEEDLO CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232676794 1304211536 /nfs/dbraw/zinc/21/15/36/1304211536.db2.gz DKYNJHBOTWCPON-HNNXBMFYSA-N 1 2 326.400 2.129 20 30 EEEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ncc2O)C1 ZINC001233041586 1304340046 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347.503 2.444 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)=C1CCC1 ZINC001234150650 1304770875 /nfs/dbraw/zinc/77/08/75/1304770875.db2.gz IJQKDWLKHNKWNS-GOSISDBHSA-N 1 2 347.503 2.444 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC001234537814 1304957452 /nfs/dbraw/zinc/95/74/52/1304957452.db2.gz RIERJEATSWCTPM-KRWDZBQOSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC001234537814 1304957453 /nfs/dbraw/zinc/95/74/53/1304957453.db2.gz RIERJEATSWCTPM-KRWDZBQOSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NCCC[N@H+](C)Cc1coc(C2CC2)n1 ZINC001235227116 1305156930 /nfs/dbraw/zinc/15/69/30/1305156930.db2.gz CEGOYJXJXBHZIR-AWEZNQCLSA-N 1 2 335.448 2.471 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NCCC[N@@H+](C)Cc1coc(C2CC2)n1 ZINC001235227116 1305156937 /nfs/dbraw/zinc/15/69/37/1305156937.db2.gz CEGOYJXJXBHZIR-AWEZNQCLSA-N 1 2 335.448 2.471 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(F)c(C)cc1F 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346.427 2.232 20 30 EEEDLO CC(C)(C)C[N@@H+]1Cc2ccnn2CC[C@@H]1C(=O)NC1(C#N)CCC1 ZINC001278110880 1305970342 /nfs/dbraw/zinc/97/03/42/1305970342.db2.gz ZYVDYWSBFIMPAF-OAHLLOKOSA-N 1 2 329.448 2.066 20 30 EEEDLO CC(C)(C)C[N@H+]1Cc2ccnn2CC[C@@H]1C(=O)NC1(C#N)CCC1 ZINC001278110880 1305970345 /nfs/dbraw/zinc/97/03/45/1305970345.db2.gz ZYVDYWSBFIMPAF-OAHLLOKOSA-N 1 2 329.448 2.066 20 30 EEEDLO N#Cc1ccc2nc(C[N@@H+]3CCc4nc(C5CC5)ncc4C3)cn2c1 ZINC001237607216 1305999113 /nfs/dbraw/zinc/99/91/13/1305999113.db2.gz SSVHPEXFYNNRHO-UHFFFAOYSA-N 1 2 330.395 2.432 20 30 EEEDLO N#Cc1ccc2nc(C[N@H+]3CCc4nc(C5CC5)ncc4C3)cn2c1 ZINC001237607216 1305999118 /nfs/dbraw/zinc/99/91/18/1305999118.db2.gz SSVHPEXFYNNRHO-UHFFFAOYSA-N 1 2 330.395 2.432 20 30 EEEDLO COC(=O)[C@H]1COCCC12C[NH+](Cc1ccc(C#N)cc1Cl)C2 ZINC001238086594 1306214780 /nfs/dbraw/zinc/21/47/80/1306214780.db2.gz KGVKHGFGPIDXHF-CQSZACIVSA-N 1 2 334.803 2.223 20 30 EEEDLO CC(C)Oc1cncc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC001238469889 1308891133 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UDEQCPGDRNTAQH-KCPJHIHWSA-N 1 2 338.415 2.047 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@H](C(F)F)C1 ZINC001121612201 1310070043 /nfs/dbraw/zinc/07/00/43/1310070043.db2.gz FUOOFEGKIKWEHR-STQMWFEESA-N 1 2 341.406 2.091 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@H](C(F)F)C1 ZINC001121612201 1310070046 /nfs/dbraw/zinc/07/00/46/1310070046.db2.gz FUOOFEGKIKWEHR-STQMWFEESA-N 1 2 341.406 2.091 20 30 EEEDLO CCOCCCn1c(C[NH+]2CCCCC2)nnc1N(C)C[C@@H](C)C#N ZINC001122578402 1310339415 /nfs/dbraw/zinc/33/94/15/1310339415.db2.gz SNYOWPTVRBYHEA-INIZCTEOSA-N 1 2 348.495 2.286 20 30 EEEDLO C=CCOc1ccc(-c2noc([C@@H](CO)n3cc[nH+]c3)n2)c(F)c1 ZINC001247264398 1310561573 /nfs/dbraw/zinc/56/15/73/1310561573.db2.gz XULQNJNWRWTGSN-CQSZACIVSA-N 1 2 330.319 2.219 20 30 EEEDLO C=CCCCNC(=S)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001247728554 1310702857 /nfs/dbraw/zinc/70/28/57/1310702857.db2.gz UPPQXQBXJHAUCK-UHFFFAOYSA-N 1 2 331.445 2.118 20 30 EEEDLO Cc1cc(C[NH+]2CC3(CCN3Cc3cc(C#N)n(C)c3)C2)cc(C)n1 ZINC001276398878 1314726889 /nfs/dbraw/zinc/72/68/89/1314726889.db2.gz ZRYKDVZREOKRBP-UHFFFAOYSA-N 1 2 335.455 2.369 20 30 EEEDLO C#CCN1CC[NH+](Cc2c(-c3ccccc3)nc3n2CCS3)CC1 ZINC001141310347 1315087644 /nfs/dbraw/zinc/08/76/44/1315087644.db2.gz ZDYNUEJPXXVDFF-UHFFFAOYSA-N 1 2 338.480 2.407 20 30 EEEDLO C[C@H]1CC[C@H](CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])O1 ZINC000840705365 1315400658 /nfs/dbraw/zinc/40/06/58/1315400658.db2.gz VDIRHYOMAYZSIL-QWHCGFSZSA-N 1 2 340.427 2.214 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ccns2)CCCO1 ZINC001150166022 1316188187 /nfs/dbraw/zinc/18/81/87/1316188187.db2.gz PZUYAUFJWLZWAF-HUUCEWRRSA-N 1 2 337.489 2.453 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccns2)CCCO1 ZINC001150166022 1316188191 /nfs/dbraw/zinc/18/81/91/1316188191.db2.gz PZUYAUFJWLZWAF-HUUCEWRRSA-N 1 2 337.489 2.453 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)Cc2ccco2)C1 ZINC001150444632 1316265900 /nfs/dbraw/zinc/26/59/00/1316265900.db2.gz 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C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)CC1(O)CCC1 ZINC001153214492 1316792503 /nfs/dbraw/zinc/79/25/03/1316792503.db2.gz ODZVLEDNGQPNLW-GFCCVEGCSA-N 1 2 333.270 2.027 20 30 EEEDLO CN1CC[NH+](CCNc2ccc(Cc3ccc(C#N)cc3)cn2)CC1 ZINC001250054042 1317209527 /nfs/dbraw/zinc/20/95/27/1317209527.db2.gz AYJONVITFUAMSY-UHFFFAOYSA-N 1 2 335.455 2.203 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1c(C)n[nH]c1C ZINC001155878124 1317774904 /nfs/dbraw/zinc/77/49/04/1317774904.db2.gz URKZFFPIFDNPIC-SNVBAGLBSA-N 1 2 343.269 2.375 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1c(C)n[nH]c1C ZINC001155878124 1317774907 /nfs/dbraw/zinc/77/49/07/1317774907.db2.gz URKZFFPIFDNPIC-SNVBAGLBSA-N 1 2 343.269 2.375 20 30 EEEDLO N#Cc1c[nH]c2c1cccc2C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001157175686 1318461531 /nfs/dbraw/zinc/46/15/31/1318461531.db2.gz IDYXSPSZZHANIL-CQSZACIVSA-N 1 2 331.379 2.443 20 30 EEEDLO N#Cc1nc(Cl)cnc1N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001158622128 1319339263 /nfs/dbraw/zinc/33/92/63/1319339263.db2.gz ANKRBCWCLOPXQM-NSHDSACASA-N 1 2 327.766 2.311 20 30 EEEDLO C=CCCOCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nccc(C)n1 ZINC001158936252 1319517351 /nfs/dbraw/zinc/51/73/51/1319517351.db2.gz XWBRUCZZBZUCDJ-QGZVFWFLSA-N 1 2 346.475 2.191 20 30 EEEDLO C=CCCOCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nccc(C)n1 ZINC001158936252 1319517359 /nfs/dbraw/zinc/51/73/59/1319517359.db2.gz XWBRUCZZBZUCDJ-QGZVFWFLSA-N 1 2 346.475 2.191 20 30 EEEDLO C#Cc1ccc(C(=O)NCCC2=CC[N@H+](Cc3ncccn3)CC2)cc1 ZINC001160842438 1320287314 /nfs/dbraw/zinc/28/73/14/1320287314.db2.gz PZNCHNWJPRUTFU-UHFFFAOYSA-N 1 2 346.434 2.410 20 30 EEEDLO C#Cc1ccc(C(=O)NCCC2=CC[N@@H+](Cc3ncccn3)CC2)cc1 ZINC001160842438 1320287319 /nfs/dbraw/zinc/28/73/19/1320287319.db2.gz PZNCHNWJPRUTFU-UHFFFAOYSA-N 1 2 346.434 2.410 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2ncc(CC)o2)CC1 ZINC001161973001 1320702730 /nfs/dbraw/zinc/70/27/30/1320702730.db2.gz SBGYMPUSSVSHCV-HNNXBMFYSA-N 1 2 347.459 2.467 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(CC)o2)CC1 ZINC001161973001 1320702733 /nfs/dbraw/zinc/70/27/33/1320702733.db2.gz SBGYMPUSSVSHCV-HNNXBMFYSA-N 1 2 347.459 2.467 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(Cc4ccc(Cl)o4)C3)C2)cc1C#N ZINC001276461991 1322136891 /nfs/dbraw/zinc/13/68/91/1322136891.db2.gz OCEADENGJIIYCT-UHFFFAOYSA-N 1 2 330.819 2.461 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3C[C@@H]3C)n2Cc2ccccc2)CC1 ZINC001263151870 1322438762 /nfs/dbraw/zinc/43/87/62/1322438762.db2.gz OJACFQWMCBSZIP-FUHWJXTLSA-N 1 2 335.455 2.205 20 30 EEEDLO COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001263308183 1322457014 /nfs/dbraw/zinc/45/70/14/1322457014.db2.gz XTLYGBPYSOCGOJ-HOTGVXAUSA-N 1 2 329.400 2.215 20 30 EEEDLO COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001263308183 1322457017 /nfs/dbraw/zinc/45/70/17/1322457017.db2.gz XTLYGBPYSOCGOJ-HOTGVXAUSA-N 1 2 329.400 2.215 20 30 EEEDLO CC[C@H](OC)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206447707 1323495788 /nfs/dbraw/zinc/49/57/88/1323495788.db2.gz HXTZFHGGBSVLRA-JLZZUVOBSA-N 1 2 333.407 2.059 20 30 EEEDLO CC[C@H](OC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206447707 1323495791 /nfs/dbraw/zinc/49/57/91/1323495791.db2.gz HXTZFHGGBSVLRA-JLZZUVOBSA-N 1 2 333.407 2.059 20 30 EEEDLO Cn1cc2c(n1)C[N@@H+](Cc1cc(C#N)n(C)c1)C[C@H]2COCC1CC1 ZINC001207104061 1323849404 /nfs/dbraw/zinc/84/94/04/1323849404.db2.gz IXXFVUONUJINLU-INIZCTEOSA-N 1 2 339.443 2.156 20 30 EEEDLO Cn1cc2c(n1)C[N@H+](Cc1cc(C#N)n(C)c1)C[C@H]2COCC1CC1 ZINC001207104061 1323849409 /nfs/dbraw/zinc/84/94/09/1323849409.db2.gz IXXFVUONUJINLU-INIZCTEOSA-N 1 2 339.443 2.156 20 30 EEEDLO COC[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)Cc2nn(CC3CC3)cc21 ZINC001207103901 1323849829 /nfs/dbraw/zinc/84/98/29/1323849829.db2.gz BITVRNAMALIPTE-MRXNPFEDSA-N 1 2 339.443 2.249 20 30 EEEDLO COC[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)Cc2nn(CC3CC3)cc21 ZINC001207103901 1323849836 /nfs/dbraw/zinc/84/98/36/1323849836.db2.gz BITVRNAMALIPTE-MRXNPFEDSA-N 1 2 339.443 2.249 20 30 EEEDLO CCn1nnc2c1CC[N@H+](CCCc1cccc(C#N)c1)[C@@H]2COC ZINC001208851946 1324691390 /nfs/dbraw/zinc/69/13/90/1324691390.db2.gz OQNBHQXOYJLKEW-GOSISDBHSA-N 1 2 339.443 2.348 20 30 EEEDLO CCn1nnc2c1CC[N@@H+](CCCc1cccc(C#N)c1)[C@@H]2COC ZINC001208851946 1324691396 /nfs/dbraw/zinc/69/13/96/1324691396.db2.gz OQNBHQXOYJLKEW-GOSISDBHSA-N 1 2 339.443 2.348 20 30 EEEDLO CC#CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(C)C)o2)C1 ZINC001209112206 1324804774 /nfs/dbraw/zinc/80/47/74/1324804774.db2.gz RVUQAOWCNSOIRM-OAHLLOKOSA-N 1 2 332.448 2.467 20 30 EEEDLO C#CCN1CC2(CCC1=O)CC[NH+](CC(=O)c1cccc(C#N)c1)CC2 ZINC001276679587 1325187319 /nfs/dbraw/zinc/18/73/19/1325187319.db2.gz XYUXXDYIHCMDHS-UHFFFAOYSA-N 1 2 349.434 2.079 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3nocc3C)C[C@H]2C)CCOCC1 ZINC001210679568 1325386777 /nfs/dbraw/zinc/38/67/77/1325386777.db2.gz AMIRWPXLGODZGO-GDBMZVCRSA-N 1 2 347.459 2.292 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3nocc3C)C[C@H]2C)CCOCC1 ZINC001210679568 1325386785 /nfs/dbraw/zinc/38/67/85/1325386785.db2.gz AMIRWPXLGODZGO-GDBMZVCRSA-N 1 2 347.459 2.292 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)c1ccccc1 ZINC001338963471 1336937825 /nfs/dbraw/zinc/93/78/25/1336937825.db2.gz MVGLMAMNUARYEN-UHFFFAOYSA-N 1 2 341.459 2.436 20 30 EEEDLO C#CCN(CC)c1nnc([C@@H]2CCC[N@@H+]2C)n1C[C@@H]1CCCCO1 ZINC001344256977 1337386213 /nfs/dbraw/zinc/38/62/13/1337386213.db2.gz NSDBHKOEOMUCPM-HOTGVXAUSA-N 1 2 331.464 2.073 20 30 EEEDLO C#CCN(CC)c1nnc([C@@H]2CCC[N@H+]2C)n1C[C@@H]1CCCCO1 ZINC001344256977 1337386220 /nfs/dbraw/zinc/38/62/20/1337386220.db2.gz NSDBHKOEOMUCPM-HOTGVXAUSA-N 1 2 331.464 2.073 20 30 EEEDLO C=CC[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(=O)OCC ZINC001346567036 1337486570 /nfs/dbraw/zinc/48/65/70/1337486570.db2.gz AEGRPKFSJZMGDC-INIZCTEOSA-N 1 2 327.384 2.169 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)Cc2cccs2)C1 ZINC001479962098 1337620912 /nfs/dbraw/zinc/62/09/12/1337620912.db2.gz PWOBSPGFEHJYHP-HNNXBMFYSA-N 1 2 349.500 2.253 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)Cc2cccs2)C1 ZINC001479962098 1337620915 /nfs/dbraw/zinc/62/09/15/1337620915.db2.gz PWOBSPGFEHJYHP-HNNXBMFYSA-N 1 2 349.500 2.253 20 30 EEEDLO N#Cc1ccccc1C[NH2+]C1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001100348931 1338294030 /nfs/dbraw/zinc/29/40/30/1338294030.db2.gz KVTLEQLUEUPKHM-DBRPNBKGSA-N 1 2 343.324 2.443 20 30 EEEDLO N#Cc1ccccc1C[NH2+]C1CC(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001100348931 1338294033 /nfs/dbraw/zinc/29/40/33/1338294033.db2.gz KVTLEQLUEUPKHM-DBRPNBKGSA-N 1 2 343.324 2.443 20 30 EEEDLO C=C1CC(C)(C(=O)NCc2ccc(C[NH2+]Cc3cnn[nH]3)cc2F)C1 ZINC001575062710 1343726334 /nfs/dbraw/zinc/72/63/34/1343726334.db2.gz VHSJPOHKJKFDQH-UHFFFAOYSA-N 1 2 343.406 2.206 20 30 EEEDLO C#C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC001588331676 1348890055 /nfs/dbraw/zinc/89/00/55/1348890055.db2.gz CDFUWZJMIGVWPO-CYBMUJFWSA-N 1 2 333.342 2.456 20 30 EEEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC001588331676 1348890059 /nfs/dbraw/zinc/89/00/59/1348890059.db2.gz CDFUWZJMIGVWPO-CYBMUJFWSA-N 1 2 333.342 2.456 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@H+](Cc2nsc3ccccc23)C1 ZINC001660979912 1354568023 /nfs/dbraw/zinc/56/80/23/1354568023.db2.gz ABHZFVTVVCILJZ-ACJLOTCBSA-N 1 2 345.468 2.314 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@@H+](Cc2nsc3ccccc23)C1 ZINC001660979912 1354568029 /nfs/dbraw/zinc/56/80/29/1354568029.db2.gz ABHZFVTVVCILJZ-ACJLOTCBSA-N 1 2 345.468 2.314 20 30 EEEDLO Cc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)(C)C)C3)cn1 ZINC001110544011 1368704081 /nfs/dbraw/zinc/70/40/81/1368704081.db2.gz RXWSVHBJEQRQAO-ZACQAIPSSA-N 1 2 326.444 2.056 20 30 EEEDLO Cc1ncc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)(C)C)C3)cn1 ZINC001110544011 1368704085 /nfs/dbraw/zinc/70/40/85/1368704085.db2.gz RXWSVHBJEQRQAO-ZACQAIPSSA-N 1 2 326.444 2.056 20 30 EEEDLO C[C@@]1(c2ccc(F)cc2)CC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525072 1369345705 /nfs/dbraw/zinc/34/57/05/1369345705.db2.gz RTQURUXOFRDWEM-KUHUBIRLSA-N 1 2 343.402 2.425 20 30 EEEDLO C[C@@]1(c2ccc(F)cc2)CC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525072 1369345710 /nfs/dbraw/zinc/34/57/10/1369345710.db2.gz RTQURUXOFRDWEM-KUHUBIRLSA-N 1 2 343.402 2.425 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccc(C)n3)C[C@H]21 ZINC001114319254 1369552617 /nfs/dbraw/zinc/55/26/17/1369552617.db2.gz KPYKMNOYDWBTDI-VQFNDLOPSA-N 1 2 326.444 2.100 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccc(C)n3)C[C@H]21 ZINC001114319254 1369552623 /nfs/dbraw/zinc/55/26/23/1369552623.db2.gz KPYKMNOYDWBTDI-VQFNDLOPSA-N 1 2 326.444 2.100 20 30 EEEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000886768679 1369666476 /nfs/dbraw/zinc/66/64/76/1369666476.db2.gz GGGYFGQDPFYXRW-UHFFFAOYSA-N 1 2 333.388 2.245 20 30 EEEDLO C=CCOCC(=O)N1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC001112310749 1371385874 /nfs/dbraw/zinc/38/58/74/1371385874.db2.gz RVMBVAQNCMLNLP-GUYCJALGSA-N 1 2 344.459 2.125 20 30 EEEDLO C[C@H](C#N)C(=O)NC1CC2(C1)CC([NH2+]Cc1noc(C3CCC3)n1)C2 ZINC001120854580 1371834449 /nfs/dbraw/zinc/83/44/49/1371834449.db2.gz RRZOFCZHHSHZRR-ZLNHHVGESA-N 1 2 343.431 2.014 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)c2nccnc2N)CC1 ZINC001389529456 1388173780 /nfs/dbraw/zinc/17/37/80/1388173780.db2.gz DMHFVUWSXNWJAI-UHFFFAOYSA-N 1 2 337.855 2.128 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000831249598 1372370496 /nfs/dbraw/zinc/37/04/96/1372370496.db2.gz XUWPXJDAHXVOMG-SJORKVTESA-N 1 2 344.455 2.156 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000831249598 1372370497 /nfs/dbraw/zinc/37/04/97/1372370497.db2.gz XUWPXJDAHXVOMG-SJORKVTESA-N 1 2 344.455 2.156 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cnn(-c2cccnc2)c1)C1CC1 ZINC001366744434 1374022572 /nfs/dbraw/zinc/02/25/72/1374022572.db2.gz KSPSIRWVIKSHOO-UHFFFAOYSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cnn(-c2cccnc2)c1)C1CC1 ZINC001366744434 1374022575 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/nfs/dbraw/zinc/22/72/41/758227241.db2.gz UQTZSJXMBJRAKP-UHFFFAOYSA-N 1 2 349.504 2.332 20 30 EEEDLO CCN(CCNC(=O)C#CC1CC1)c1nc(C)[nH+]c2c1CCCC2 ZINC001100523409 759797492 /nfs/dbraw/zinc/79/74/92/759797492.db2.gz PBQKLLUGZHSMFN-UHFFFAOYSA-N 1 2 326.444 2.020 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001211551339 760486030 /nfs/dbraw/zinc/48/60/30/760486030.db2.gz JTFVKXCCWCXHPX-DLBZAZTESA-N 1 2 340.427 2.428 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@@H+](Cc2nncs2)C1 ZINC001087379178 764982024 /nfs/dbraw/zinc/98/20/24/764982024.db2.gz ZLPYZKNMYMJYGE-AJNGGQMLSA-N 1 2 346.500 2.419 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@H+](Cc2nncs2)C1 ZINC001087379178 764982029 /nfs/dbraw/zinc/98/20/29/764982029.db2.gz ZLPYZKNMYMJYGE-AJNGGQMLSA-N 1 2 346.500 2.419 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001104764101 765241467 /nfs/dbraw/zinc/24/14/67/765241467.db2.gz OBBNZHPASQGMGV-LBPRGKRZSA-N 1 2 334.468 2.107 20 30 EEEDLO Cc1nc(NC[C@H](C)N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)ccc1C#N ZINC001104851243 765424414 /nfs/dbraw/zinc/42/44/14/765424414.db2.gz PCWPQHRKCAJHIQ-OLZOCXBDSA-N 1 2 340.431 2.122 20 30 EEEDLO Cc1nc(NC[C@H](C)N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)ccc1C#N ZINC001104851243 765424421 /nfs/dbraw/zinc/42/44/21/765424421.db2.gz PCWPQHRKCAJHIQ-OLZOCXBDSA-N 1 2 340.431 2.122 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H](CNc2cc[nH+]c(C)n2)CC(C)C)c1 ZINC001104989645 765730674 /nfs/dbraw/zinc/73/06/74/765730674.db2.gz QTRNFMRDIBWQLT-QGZVFWFLSA-N 1 2 337.427 2.418 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)[C@H](C)C1 ZINC001105054635 768964672 /nfs/dbraw/zinc/96/46/72/768964672.db2.gz BBFAUWSHKPULQF-UKRRQHHQSA-N 1 2 346.479 2.251 20 30 EEEDLO C[C@H](C[C@H](C)NC(=O)c1cccc2[nH+]ccn21)Nc1cnc(C#N)cn1 ZINC001089424029 769008141 /nfs/dbraw/zinc/00/81/41/769008141.db2.gz XYRTUIOPTHTNPV-OLZOCXBDSA-N 1 2 349.398 2.005 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H]([C@H](C)Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001105079738 769013022 /nfs/dbraw/zinc/01/30/22/769013022.db2.gz SFOUIJCGYMFOMP-DZGCQCFKSA-N 1 2 346.479 2.251 20 30 EEEDLO Cn1cccc1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001031553143 769571682 /nfs/dbraw/zinc/57/16/82/769571682.db2.gz YBOSPIIHIKMGDZ-UHFFFAOYSA-N 1 2 341.842 2.392 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](CC)CCCC)C2)nn1 ZINC001105285022 769575792 /nfs/dbraw/zinc/57/57/92/769575792.db2.gz AIZZWIKUZMMQQT-INIZCTEOSA-N 1 2 345.491 2.381 20 30 EEEDLO CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1ncccc1C#N ZINC001105307316 769664911 /nfs/dbraw/zinc/66/49/11/769664911.db2.gz HHWOTHHWUHXPDY-RBSFLKMASA-N 1 2 338.415 2.033 20 30 EEEDLO CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1ncccc1C#N ZINC001105307316 769664915 /nfs/dbraw/zinc/66/49/15/769664915.db2.gz HHWOTHHWUHXPDY-RBSFLKMASA-N 1 2 338.415 2.033 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC(n2cc(C[NH2+]C/C=C\Cl)nn2)C1 ZINC001105310069 769677631 /nfs/dbraw/zinc/67/76/31/769677631.db2.gz NSBYTUQVVBCAFF-SZZPACECSA-N 1 2 337.855 2.106 20 30 EEEDLO C[C@H](C[C@H](C)Nc1ccc(C#N)cn1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001089501425 769937057 /nfs/dbraw/zinc/93/70/57/769937057.db2.gz YLKBALZFXQKFIW-QWHCGFSZSA-N 1 2 326.404 2.004 20 30 EEEDLO C[C@H](C[C@H](C)Nc1ccc(C#N)cn1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001089501425 769937068 /nfs/dbraw/zinc/93/70/68/769937068.db2.gz YLKBALZFXQKFIW-QWHCGFSZSA-N 1 2 326.404 2.004 20 30 EEEDLO CCc1nc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)co1 ZINC001031624617 770412647 /nfs/dbraw/zinc/41/26/47/770412647.db2.gz ZSQGZFARGOBLSK-UHFFFAOYSA-N 1 2 330.413 2.032 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccnn2C(F)F)C1 ZINC001031697831 773340640 /nfs/dbraw/zinc/34/06/40/773340640.db2.gz JVHKYHVCCIBMSD-UHFFFAOYSA-N 1 2 345.353 2.012 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cnc(C2CC2)o1 ZINC001031739676 774171786 /nfs/dbraw/zinc/17/17/86/774171786.db2.gz ZETMKLCNOQVXRR-UHFFFAOYSA-N 1 2 335.407 2.265 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)on2)C1 ZINC000980271619 774225850 /nfs/dbraw/zinc/22/58/50/774225850.db2.gz WCXJZVAOSQPDDC-IBGZPJMESA-N 1 2 337.423 2.240 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)on2)C1 ZINC000980271619 774225852 /nfs/dbraw/zinc/22/58/52/774225852.db2.gz WCXJZVAOSQPDDC-IBGZPJMESA-N 1 2 337.423 2.240 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](CC=C(Cl)Cl)C1 ZINC001032047617 783187750 /nfs/dbraw/zinc/18/77/50/783187750.db2.gz JULBBVJBEKYWEC-JSGCOSHPSA-N 1 2 333.259 2.335 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](Cc2ccc3c(c2)nnn3C)CC1 ZINC000950035245 774785126 /nfs/dbraw/zinc/78/51/26/774785126.db2.gz VHDVVCCPMLHHQM-IBGZPJMESA-N 1 2 341.459 2.215 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCCCN(c2cc[nH+]c(C)n2)C1 ZINC001063201744 790358742 /nfs/dbraw/zinc/35/87/42/790358742.db2.gz UDCXRPKZFZYZNO-LJQANCHMSA-N 1 2 348.450 2.484 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3=COCCC3)CC2)cc1F ZINC000980818446 775686416 /nfs/dbraw/zinc/68/64/16/775686416.db2.gz FRMKMCVDJWGPED-UHFFFAOYSA-N 1 2 343.402 2.426 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3=COCCC3)CC2)cc1F ZINC000980818446 775686422 /nfs/dbraw/zinc/68/64/22/775686422.db2.gz FRMKMCVDJWGPED-UHFFFAOYSA-N 1 2 343.402 2.426 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)C[C@H]3CCOC3)CC2)c1 ZINC000980879815 775914840 /nfs/dbraw/zinc/91/48/40/775914840.db2.gz SSZICWPMRYENPK-MRXNPFEDSA-N 1 2 345.418 2.158 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)C[C@H]3CCOC3)CC2)c1 ZINC000980879815 775914854 /nfs/dbraw/zinc/91/48/54/775914854.db2.gz SSZICWPMRYENPK-MRXNPFEDSA-N 1 2 345.418 2.158 20 30 EEEDLO Cc1cc(N[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)nc(C2CC2)[nH+]1 ZINC001058861487 776430502 /nfs/dbraw/zinc/43/05/02/776430502.db2.gz UXEXMRWSFQVWBT-AWEZNQCLSA-N 1 2 336.399 2.189 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CC3(O)CCC3)CC2)c(F)c1 ZINC000981127878 776603539 /nfs/dbraw/zinc/60/35/39/776603539.db2.gz RDHICQPPXIKUPY-UHFFFAOYSA-N 1 2 345.418 2.037 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CC3(O)CCC3)CC2)c(F)c1 ZINC000981127878 776603544 /nfs/dbraw/zinc/60/35/44/776603544.db2.gz RDHICQPPXIKUPY-UHFFFAOYSA-N 1 2 345.418 2.037 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)c2nc(C)no2)cc1 ZINC001028066691 776962410 /nfs/dbraw/zinc/96/24/10/776962410.db2.gz GPHLMAFXFWNFDL-DYVFJYSZSA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)c2nc(C)no2)cc1 ZINC001028066691 776962419 /nfs/dbraw/zinc/96/24/19/776962419.db2.gz GPHLMAFXFWNFDL-DYVFJYSZSA-N 1 2 338.411 2.315 20 30 EEEDLO C#CCCCC(=O)NCCN(CCOC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001126312164 777481639 /nfs/dbraw/zinc/48/16/39/777481639.db2.gz RIVCFSGZCPHRMH-UHFFFAOYSA-N 1 2 344.459 2.035 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cn2nc(C)c3cccnc32)CC1 ZINC000981663090 777938672 /nfs/dbraw/zinc/93/86/72/777938672.db2.gz IZHWCMAMEYAZNH-UHFFFAOYSA-N 1 2 347.850 2.027 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cn2nc(C)c3cccnc32)CC1 ZINC000981663090 777938678 /nfs/dbraw/zinc/93/86/78/777938678.db2.gz IZHWCMAMEYAZNH-UHFFFAOYSA-N 1 2 347.850 2.027 20 30 EEEDLO CCc1oncc1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000982057040 779009624 /nfs/dbraw/zinc/00/96/24/779009624.db2.gz VYGIMBCCFIYQMF-UHFFFAOYSA-N 1 2 337.423 2.437 20 30 EEEDLO CCc1oncc1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000982057040 779009630 /nfs/dbraw/zinc/00/96/30/779009630.db2.gz VYGIMBCCFIYQMF-UHFFFAOYSA-N 1 2 337.423 2.437 20 30 EEEDLO CCn1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)n1 ZINC000982084535 779041357 /nfs/dbraw/zinc/04/13/57/779041357.db2.gz UCHOBVBLSCQXFV-UHFFFAOYSA-N 1 2 343.456 2.184 20 30 EEEDLO CCn1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)n1 ZINC000982084535 779041366 /nfs/dbraw/zinc/04/13/66/779041366.db2.gz UCHOBVBLSCQXFV-UHFFFAOYSA-N 1 2 343.456 2.184 20 30 EEEDLO CC(C)c1nnc(C[N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H](C)C#N)C[C@@]3(C)C2)o1 ZINC000982236644 779362221 /nfs/dbraw/zinc/36/22/21/779362221.db2.gz MNTAWIBRPZXVSV-DOPJRALCSA-N 1 2 345.447 2.023 20 30 EEEDLO CC(C)c1nnc(C[N@H+]2C[C@@]3(C)CN(C(=O)[C@@H](C)C#N)C[C@@]3(C)C2)o1 ZINC000982236644 779362228 /nfs/dbraw/zinc/36/22/28/779362228.db2.gz MNTAWIBRPZXVSV-DOPJRALCSA-N 1 2 345.447 2.023 20 30 EEEDLO Cc1coc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001031913034 779373204 /nfs/dbraw/zinc/37/32/04/779373204.db2.gz BSTOMPNOIUNZPZ-UHFFFAOYSA-N 1 2 327.359 2.461 20 30 EEEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c1=S ZINC000182824220 779780332 /nfs/dbraw/zinc/78/03/32/779780332.db2.gz IKPAKPCOYWVCIM-AWEZNQCLSA-N 1 2 338.477 2.341 20 30 EEEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)c1=S ZINC000182824220 779780336 /nfs/dbraw/zinc/78/03/36/779780336.db2.gz IKPAKPCOYWVCIM-AWEZNQCLSA-N 1 2 338.477 2.341 20 30 EEEDLO C=CCOCC(=O)NC[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001091433841 790760471 /nfs/dbraw/zinc/76/04/71/790760471.db2.gz VUVPYWBIYNSVCC-SHTZXODSSA-N 1 2 344.459 2.173 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](n2cc(C[NH2+]C[C@H](F)CC)nn2)C1 ZINC001098697755 781444844 /nfs/dbraw/zinc/44/48/44/781444844.db2.gz KYAGHSSELGITBU-HIFRSBDPSA-N 1 2 337.443 2.101 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](C)CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)n1 ZINC001098267601 781453716 /nfs/dbraw/zinc/45/37/16/781453716.db2.gz DTEBJIGIEXENSC-OCCSQVGLSA-N 1 2 338.415 2.022 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)CC(C)(C)C ZINC001211866738 781571925 /nfs/dbraw/zinc/57/19/25/781571925.db2.gz DLGHISFPXATKKJ-IAGOWNOFSA-N 1 2 347.434 2.449 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)CC(C)(C)C ZINC001211866738 781571931 /nfs/dbraw/zinc/57/19/31/781571931.db2.gz DLGHISFPXATKKJ-IAGOWNOFSA-N 1 2 347.434 2.449 20 30 EEEDLO Cc1csc(C[N@H+]2C[C@@H](NC(=O)CSCC#N)CC[C@H]2C)n1 ZINC001131826261 783288867 /nfs/dbraw/zinc/28/88/67/783288867.db2.gz OMKMITQLDSFAOF-OLZOCXBDSA-N 1 2 338.502 2.177 20 30 EEEDLO Cc1csc(C[N@@H+]2C[C@@H](NC(=O)CSCC#N)CC[C@H]2C)n1 ZINC001131826261 783288876 /nfs/dbraw/zinc/28/88/76/783288876.db2.gz OMKMITQLDSFAOF-OLZOCXBDSA-N 1 2 338.502 2.177 20 30 EEEDLO CON=CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000809677059 783299041 /nfs/dbraw/zinc/29/90/41/783299041.db2.gz XVTMDEQLQKTOHU-ZDUSSCGKSA-N 1 2 327.787 2.192 20 30 EEEDLO CON=CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000809677059 783299045 /nfs/dbraw/zinc/29/90/45/783299045.db2.gz XVTMDEQLQKTOHU-ZDUSSCGKSA-N 1 2 327.787 2.192 20 30 EEEDLO CCCc1nc(C[NH2+][C@H]2CCCCCN(C(=O)[C@@H](C)C#N)C2)no1 ZINC001088280107 783346304 /nfs/dbraw/zinc/34/63/04/783346304.db2.gz JBNGOOJTBNULJT-KBPBESRZSA-N 1 2 333.436 2.043 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccnc2-n2cccn2)C1 ZINC001033315539 783499231 /nfs/dbraw/zinc/49/92/31/783499231.db2.gz KPDSRGZZMMMMNX-AWEZNQCLSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccnc2-n2cccn2)C1 ZINC001033315539 783499234 /nfs/dbraw/zinc/49/92/34/783499234.db2.gz KPDSRGZZMMMMNX-AWEZNQCLSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccnc2-n2cccn2)C1 ZINC001033315542 783499258 /nfs/dbraw/zinc/49/92/58/783499258.db2.gz KPDSRGZZMMMMNX-CQSZACIVSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccnc2-n2cccn2)C1 ZINC001033315542 783499263 /nfs/dbraw/zinc/49/92/63/783499263.db2.gz KPDSRGZZMMMMNX-CQSZACIVSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC000945439742 784118387 /nfs/dbraw/zinc/11/83/87/784118387.db2.gz SLFBWQALMYMMNH-DZGCQCFKSA-N 1 2 346.475 2.216 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc3ccc(F)cc3s2)C1 ZINC001035437338 784526091 /nfs/dbraw/zinc/52/60/91/784526091.db2.gz HDLJWLBNFLYAFW-OAHLLOKOSA-N 1 2 346.427 2.494 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc3ccc(F)cc3s2)C1 ZINC001035437338 784526095 /nfs/dbraw/zinc/52/60/95/784526095.db2.gz HDLJWLBNFLYAFW-OAHLLOKOSA-N 1 2 346.427 2.494 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2coc3ccc(OC)cc23)C1 ZINC001035441037 784532893 /nfs/dbraw/zinc/53/28/93/784532893.db2.gz UROKACKKELARPZ-OAHLLOKOSA-N 1 2 344.411 2.448 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2coc3ccc(OC)cc23)C1 ZINC001035441037 784532898 /nfs/dbraw/zinc/53/28/98/784532898.db2.gz UROKACKKELARPZ-OAHLLOKOSA-N 1 2 344.411 2.448 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(F)c(Cl)c2F)C1 ZINC001035494378 784628798 /nfs/dbraw/zinc/62/87/98/784628798.db2.gz ZHFZTFUOUCHTFW-NSHDSACASA-N 1 2 342.773 2.072 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(F)c(Cl)c2F)C1 ZINC001035494378 784628809 /nfs/dbraw/zinc/62/88/09/784628809.db2.gz ZHFZTFUOUCHTFW-NSHDSACASA-N 1 2 342.773 2.072 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2c(F)ccc(F)c2Cl)C1 ZINC001035525341 784673061 /nfs/dbraw/zinc/67/30/61/784673061.db2.gz CIXTVQYEFVQLIM-LLVKDONJSA-N 1 2 342.773 2.072 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2c(F)ccc(F)c2Cl)C1 ZINC001035525341 784673064 /nfs/dbraw/zinc/67/30/64/784673064.db2.gz CIXTVQYEFVQLIM-LLVKDONJSA-N 1 2 342.773 2.072 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cnc(CC(C)(C)C)s2)C1 ZINC001035569449 784702200 /nfs/dbraw/zinc/70/22/00/784702200.db2.gz GKMDPRNEJNRWCE-AWEZNQCLSA-N 1 2 349.500 2.186 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cnc(CC(C)(C)C)s2)C1 ZINC001035569449 784702206 /nfs/dbraw/zinc/70/22/06/784702206.db2.gz GKMDPRNEJNRWCE-AWEZNQCLSA-N 1 2 349.500 2.186 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2csc3c2CC[C@@H](C)C3)C1 ZINC001035602337 784763269 /nfs/dbraw/zinc/76/32/69/784763269.db2.gz ZRIIJCZFSOXMJS-CABCVRRESA-N 1 2 346.496 2.327 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2csc3c2CC[C@@H](C)C3)C1 ZINC001035602337 784763280 /nfs/dbraw/zinc/76/32/80/784763280.db2.gz ZRIIJCZFSOXMJS-CABCVRRESA-N 1 2 346.496 2.327 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cscc2C(F)(F)F)C1 ZINC001035629517 784824866 /nfs/dbraw/zinc/82/48/66/784824866.db2.gz HNXWARVGXIJOAR-LLVKDONJSA-N 1 2 346.374 2.221 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cscc2C(F)(F)F)C1 ZINC001035629517 784824876 /nfs/dbraw/zinc/82/48/76/784824876.db2.gz HNXWARVGXIJOAR-LLVKDONJSA-N 1 2 346.374 2.221 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2c(CC)oc3ccccc32)C1 ZINC001035617383 784858027 /nfs/dbraw/zinc/85/80/27/784858027.db2.gz UPKYCESKTNDJIK-HNNXBMFYSA-N 1 2 340.423 2.449 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2c(CC)oc3ccccc32)C1 ZINC001035617383 784858030 /nfs/dbraw/zinc/85/80/30/784858030.db2.gz UPKYCESKTNDJIK-HNNXBMFYSA-N 1 2 340.423 2.449 20 30 EEEDLO CO[C@H](C)C(=O)N1CCC2(C[NH+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001035666386 784951693 /nfs/dbraw/zinc/95/16/93/784951693.db2.gz SNEKGXGXIBSULF-CQSZACIVSA-N 1 2 345.418 2.157 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CCCC[C@@H]3C)nn2)C1 ZINC001107241537 786567196 /nfs/dbraw/zinc/56/71/96/786567196.db2.gz YKPPEKXQSPBQSW-GJZGRUSLSA-N 1 2 331.464 2.153 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)c3ccccc3C)nn2)C1 ZINC001107238493 786590950 /nfs/dbraw/zinc/59/09/50/786590950.db2.gz ZXFPXACYOOCDAY-OAHLLOKOSA-N 1 2 339.443 2.049 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(Cl)c2)[C@@H](O)C1 ZINC001090538284 786790880 /nfs/dbraw/zinc/79/08/80/786790880.db2.gz GSNZVEIRGJHQGB-GJZGRUSLSA-N 1 2 343.254 2.186 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cccc(Cl)c2)[C@@H](O)C1 ZINC001090538284 786790884 /nfs/dbraw/zinc/79/08/84/786790884.db2.gz GSNZVEIRGJHQGB-GJZGRUSLSA-N 1 2 343.254 2.186 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1CCC)C2 ZINC001111648467 786798365 /nfs/dbraw/zinc/79/83/65/786798365.db2.gz ADVPIPIXEBGQNN-YJBOKZPZSA-N 1 2 331.464 2.125 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1CCC)C2 ZINC001111648467 786798371 /nfs/dbraw/zinc/79/83/71/786798371.db2.gz ADVPIPIXEBGQNN-YJBOKZPZSA-N 1 2 331.464 2.125 20 30 EEEDLO Cc1ccc(C(=O)/C=C\C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)cc1 ZINC000910572937 786882114 /nfs/dbraw/zinc/88/21/14/786882114.db2.gz MJYIEUDHSJSRNV-KTKRTIGZSA-N 1 2 344.455 2.303 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)c(F)c(F)c2)[C@H](O)C1 ZINC001090575291 787027698 /nfs/dbraw/zinc/02/76/98/787027698.db2.gz DSZQBVUZFGBSJW-QWHCGFSZSA-N 1 2 348.752 2.021 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(F)c(F)c(F)c2)[C@H](O)C1 ZINC001090575291 787027707 /nfs/dbraw/zinc/02/77/07/787027707.db2.gz DSZQBVUZFGBSJW-QWHCGFSZSA-N 1 2 348.752 2.021 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH]ccc32)[C@@H](O)C1 ZINC001090584231 787071683 /nfs/dbraw/zinc/07/16/83/787071683.db2.gz RSWBTDLZISPGCB-HOTGVXAUSA-N 1 2 333.819 2.085 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3[nH]ccc32)[C@@H](O)C1 ZINC001090584231 787071695 /nfs/dbraw/zinc/07/16/95/787071695.db2.gz RSWBTDLZISPGCB-HOTGVXAUSA-N 1 2 333.819 2.085 20 30 EEEDLO CC(C)C[C@H](C(=O)NC[C@]12CCC[C@H]1N(CC#N)CC2)n1cc[nH+]c1 ZINC001107444836 787256800 /nfs/dbraw/zinc/25/68/00/787256800.db2.gz FNTGDFGIZUYTOY-ZHALLVOQSA-N 1 2 343.475 2.355 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001062173871 787539256 /nfs/dbraw/zinc/53/92/56/787539256.db2.gz WRPGMJWONFVSCF-OAHLLOKOSA-N 1 2 332.448 2.196 20 30 EEEDLO Cc1cc(N(C)CC2CCN(C(=O)[C@@H](C)C#N)CC2)nc(C2CC2)[nH+]1 ZINC001062208257 787624105 /nfs/dbraw/zinc/62/41/05/787624105.db2.gz YMGMMVKPQPAWNK-ZDUSSCGKSA-N 1 2 341.459 2.497 20 30 EEEDLO C=CCC1(C(=O)NC[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CCC1 ZINC001062264410 787723368 /nfs/dbraw/zinc/72/33/68/787723368.db2.gz RVXWCSHYYIBMQT-MRXNPFEDSA-N 1 2 344.459 2.127 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001062255687 787726636 /nfs/dbraw/zinc/72/66/36/787726636.db2.gz FMAMTIRZQGAXHA-DOTOQJQBSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001062255687 787726638 /nfs/dbraw/zinc/72/66/38/787726638.db2.gz FMAMTIRZQGAXHA-DOTOQJQBSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001062293552 787804300 /nfs/dbraw/zinc/80/43/00/787804300.db2.gz ZQYJKLYTZAFWQK-OAHLLOKOSA-N 1 2 346.475 2.360 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001062286550 787810910 /nfs/dbraw/zinc/81/09/10/787810910.db2.gz HPMXMIOAUDNEBD-IAGOWNOFSA-N 1 2 346.475 2.373 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001062316102 787877969 /nfs/dbraw/zinc/87/79/69/787877969.db2.gz OABZJHGUCACMBV-GOEBONIOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001079008962 787896113 /nfs/dbraw/zinc/89/61/13/787896113.db2.gz KKPRUGOQASSRMX-HNNXBMFYSA-N 1 2 346.475 2.493 20 30 EEEDLO CN(CCCNc1ncccc1C#N)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001109661654 805850650 /nfs/dbraw/zinc/85/06/50/805850650.db2.gz QGOGEPJYLAFUBM-UHFFFAOYSA-N 1 2 334.383 2.404 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3c(s2)CCC3)[C@@H](O)C1 ZINC001090780431 788233510 /nfs/dbraw/zinc/23/35/10/788233510.db2.gz KQTFMSXHOJGTGV-STQMWFEESA-N 1 2 340.876 2.154 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3c(s2)CCC3)[C@@H](O)C1 ZINC001090780431 788233514 /nfs/dbraw/zinc/23/35/14/788233514.db2.gz KQTFMSXHOJGTGV-STQMWFEESA-N 1 2 340.876 2.154 20 30 EEEDLO C=CCC1(C(=O)NCC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CCC1 ZINC001060233533 788368789 /nfs/dbraw/zinc/36/87/89/788368789.db2.gz XCTCFONPMWFMRD-HNNXBMFYSA-N 1 2 344.459 2.053 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H](N(C)C(=O)CCc2[nH+]ccn2C)CC1 ZINC001079022891 788487703 /nfs/dbraw/zinc/48/77/03/788487703.db2.gz AISRDNZQYXSGSB-MRXNPFEDSA-N 1 2 346.475 2.158 20 30 EEEDLO C#CCCCCC(=O)NC[C@]1(C)C[N@H+](CCc2ccns2)CCO1 ZINC001107883345 789049197 /nfs/dbraw/zinc/04/91/97/789049197.db2.gz RADZRQTYZHHHNN-GOSISDBHSA-N 1 2 349.500 2.086 20 30 EEEDLO C#CCCCCC(=O)NC[C@]1(C)C[N@@H+](CCc2ccns2)CCO1 ZINC001107883345 789049209 /nfs/dbraw/zinc/04/92/09/789049209.db2.gz RADZRQTYZHHHNN-GOSISDBHSA-N 1 2 349.500 2.086 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001060803323 789156841 /nfs/dbraw/zinc/15/68/41/789156841.db2.gz BCVXRVXQQNRLJF-WKILWMFISA-N 1 2 346.475 2.490 20 30 EEEDLO C=C(C(=O)N1CCc2c(C[N@H+](C)C(C)C)n[nH]c2C1)C(F)(F)F ZINC001144201572 789357197 /nfs/dbraw/zinc/35/71/97/789357197.db2.gz KITRVYMLNMHVHH-UHFFFAOYSA-N 1 2 330.354 2.253 20 30 EEEDLO 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ZINC001085797883 801288922 /nfs/dbraw/zinc/28/89/22/801288922.db2.gz CPYBCIULCXVCQM-SFHVURJKSA-N 1 2 347.503 2.324 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001004222919 801342317 /nfs/dbraw/zinc/34/23/17/801342317.db2.gz OPIFGVHGDKJCOQ-UHFFFAOYSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001061450118 801395461 /nfs/dbraw/zinc/39/54/61/801395461.db2.gz UGNJRUKFMFZXFJ-BBWFWOEESA-N 1 2 344.459 2.078 20 30 EEEDLO C#CCOc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2cccnc2)cc1 ZINC001085858292 801454088 /nfs/dbraw/zinc/45/40/88/801454088.db2.gz VWWKTVAMUKGCFS-IBGZPJMESA-N 1 2 349.434 2.440 20 30 EEEDLO C#CCOc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2cccnc2)cc1 ZINC001085858292 801454093 /nfs/dbraw/zinc/45/40/93/801454093.db2.gz VWWKTVAMUKGCFS-IBGZPJMESA-N 1 2 349.434 2.440 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)nc1 ZINC001085930294 801682860 /nfs/dbraw/zinc/68/28/60/801682860.db2.gz 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CC(C)n1nccc1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004445749 802060215 /nfs/dbraw/zinc/06/02/15/802060215.db2.gz AZDGOXVNRNUGLR-MRXNPFEDSA-N 1 2 329.448 2.304 20 30 EEEDLO COCc1cncc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c1 ZINC001004459271 802125163 /nfs/dbraw/zinc/12/51/63/802125163.db2.gz SCTHOVRMJOLYRX-SFHVURJKSA-N 1 2 342.443 2.068 20 30 EEEDLO COCc1cncc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c1 ZINC001004459271 802125168 /nfs/dbraw/zinc/12/51/68/802125168.db2.gz SCTHOVRMJOLYRX-SFHVURJKSA-N 1 2 342.443 2.068 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001066394292 802157549 /nfs/dbraw/zinc/15/75/49/802157549.db2.gz SWZMIMPOBDWOAO-BQFCYCMXSA-N 1 2 344.459 2.417 20 30 EEEDLO COc1cncc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)c1C ZINC001004472722 802163589 /nfs/dbraw/zinc/16/35/89/802163589.db2.gz JHHZDKXCULKUCH-QGZVFWFLSA-N 1 2 342.443 2.239 20 30 EEEDLO COc1cncc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c1C ZINC001004472722 802163594 /nfs/dbraw/zinc/16/35/94/802163594.db2.gz JHHZDKXCULKUCH-QGZVFWFLSA-N 1 2 342.443 2.239 20 30 EEEDLO COc1cc(N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC001184742890 802170900 /nfs/dbraw/zinc/17/09/00/802170900.db2.gz REBWNIYPVXYDCK-UHFFFAOYSA-N 1 2 337.383 2.316 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn3c2cccc3OC)C1 ZINC001033123583 802183693 /nfs/dbraw/zinc/18/36/93/802183693.db2.gz QMDJWOUVNIYXNI-ZDUSSCGKSA-N 1 2 348.834 2.242 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn3c2cccc3OC)C1 ZINC001033123583 802183697 /nfs/dbraw/zinc/18/36/97/802183697.db2.gz QMDJWOUVNIYXNI-ZDUSSCGKSA-N 1 2 348.834 2.242 20 30 EEEDLO CCc1cc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)c(C)nn1 ZINC001004496936 802226507 /nfs/dbraw/zinc/22/65/07/802226507.db2.gz FBSZQWBUNNSPBH-GOSISDBHSA-N 1 2 341.459 2.188 20 30 EEEDLO CCc1cc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c(C)nn1 ZINC001004496936 802226516 /nfs/dbraw/zinc/22/65/16/802226516.db2.gz FBSZQWBUNNSPBH-GOSISDBHSA-N 1 2 341.459 2.188 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3cccnc32)CC1 ZINC001004520974 802281884 /nfs/dbraw/zinc/28/18/84/802281884.db2.gz DECOTZNVPPOZAZ-MSOLQXFVSA-N 1 2 338.455 2.338 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3cccnc32)CC1 ZINC001004520974 802281889 /nfs/dbraw/zinc/28/18/89/802281889.db2.gz DECOTZNVPPOZAZ-MSOLQXFVSA-N 1 2 338.455 2.338 20 30 EEEDLO CC(C)c1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)n(C)n1 ZINC001004590066 802435992 /nfs/dbraw/zinc/43/59/92/802435992.db2.gz FVFSVHCWPVEYRT-KRWDZBQOSA-N 1 2 343.475 2.384 20 30 EEEDLO CC(C)c1cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)n(C)n1 ZINC001004590066 802435998 /nfs/dbraw/zinc/43/59/98/802435998.db2.gz FVFSVHCWPVEYRT-KRWDZBQOSA-N 1 2 343.475 2.384 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]([NH2+]Cc2nc([C@@H](C)OCC)no2)C1 ZINC001185313532 802455662 /nfs/dbraw/zinc/45/56/62/802455662.db2.gz NYMGKAUNQXAMBI-ZIAGYGMSSA-N 1 2 336.436 2.214 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cncnc2C2CC2)CC1 ZINC001004610988 802479476 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N#Cc1c(=O)n(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc2c1CCCC2 ZINC000793515458 810378556 /nfs/dbraw/zinc/37/85/56/810378556.db2.gz JSNIIMKWNGHRNI-MSOLQXFVSA-N 1 2 327.428 2.200 20 30 EEEDLO N#Cc1c(=O)n(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc2c1CCCC2 ZINC000793515458 810378560 /nfs/dbraw/zinc/37/85/60/810378560.db2.gz JSNIIMKWNGHRNI-MSOLQXFVSA-N 1 2 327.428 2.200 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2C(NC(=O)/C=C\C3CC3)[C@@H]2C1 ZINC001114114302 810387281 /nfs/dbraw/zinc/38/72/81/810387281.db2.gz NFVCDQMDNBSLKR-RUWVEZDUSA-N 1 2 325.387 2.210 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2C(NC(=O)/C=C\C3CC3)[C@@H]2C1 ZINC001114114302 810387287 /nfs/dbraw/zinc/38/72/87/810387287.db2.gz NFVCDQMDNBSLKR-RUWVEZDUSA-N 1 2 325.387 2.210 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(F)F)CC1 ZINC001114280052 810747598 /nfs/dbraw/zinc/74/75/98/810747598.db2.gz BBHPSCIPSXWXMA-FICVDOATSA-N 1 2 349.356 2.289 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C(F)F)CC1 ZINC001114280052 810747600 /nfs/dbraw/zinc/74/76/00/810747600.db2.gz BBHPSCIPSXWXMA-FICVDOATSA-N 1 2 349.356 2.289 20 30 EEEDLO CCCCCCCCOCC(=O)NCC[NH2+]Cc1nncs1 ZINC001129523029 810891185 /nfs/dbraw/zinc/89/11/85/810891185.db2.gz QJYFCLWWTXMCNQ-UHFFFAOYSA-N 1 2 328.482 2.121 20 30 EEEDLO C=CCn1cccc1C(=O)NCC[NH2+][C@H](C)c1nc(C2CC2)no1 ZINC001129523173 810891485 /nfs/dbraw/zinc/89/14/85/810891485.db2.gz VOJGCLZGJNZSHC-GFCCVEGCSA-N 1 2 329.404 2.015 20 30 EEEDLO Cn1cc([C@H]2N(C[N@H+](C)Cc3ccc(C#N)cc3)C(=O)C2(C)C)cn1 ZINC000808139808 812473225 /nfs/dbraw/zinc/47/32/25/812473225.db2.gz PYTXZEYESOXJTH-QGZVFWFLSA-N 1 2 337.427 2.291 20 30 EEEDLO Cn1cc([C@H]2N(C[N@@H+](C)Cc3ccc(C#N)cc3)C(=O)C2(C)C)cn1 ZINC000808139808 812473233 /nfs/dbraw/zinc/47/32/33/812473233.db2.gz PYTXZEYESOXJTH-QGZVFWFLSA-N 1 2 337.427 2.291 20 30 EEEDLO CC[N@H+](CCNC(=O)[C@@H](C)C#N)[C@H](C)c1nc(-c2ccccc2)no1 ZINC001437586383 1090078277 /nfs/dbraw/zinc/07/82/77/1090078277.db2.gz FGBIECFPAZKREH-UONOGXRCSA-N 1 2 341.415 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CCN(C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000299002661 266094119 /nfs/dbraw/zinc/09/41/19/266094119.db2.gz BJKHUVBBOZCIHW-UHFFFAOYSA-N 1 2 349.438 2.128 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@](=O)C1 ZINC000277651431 267056757 /nfs/dbraw/zinc/05/67/57/267056757.db2.gz ZEHLSRFUBVZDNY-SHACYNPGSA-N 1 2 342.468 2.159 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@](=O)C1 ZINC000277651431 267056761 /nfs/dbraw/zinc/05/67/61/267056761.db2.gz ZEHLSRFUBVZDNY-SHACYNPGSA-N 1 2 342.468 2.159 20 30 EEEDLO C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1c1ccccc1 ZINC000290354827 267231716 /nfs/dbraw/zinc/23/17/16/267231716.db2.gz QJPWDXFOJGXWLA-KSSFIOAISA-N 1 2 341.436 2.420 20 30 EEEDLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1c1ccccc1 ZINC000290354827 267231719 /nfs/dbraw/zinc/23/17/19/267231719.db2.gz QJPWDXFOJGXWLA-KSSFIOAISA-N 1 2 341.436 2.420 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000275343520 269108693 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C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)c2[nH+]ccn21 ZINC000575323635 320100788 /nfs/dbraw/zinc/10/07/88/320100788.db2.gz NBJQSNZIYAXLCA-JOYOIKCWSA-N 1 2 336.804 2.392 20 30 EEEDLO CCOCC[N@H+](Cc1ccc(C(=O)OC)o1)Cc1ccc(C#N)cn1 ZINC000577960591 320286252 /nfs/dbraw/zinc/28/62/52/320286252.db2.gz MLBATYZLZDCAIY-UHFFFAOYSA-N 1 2 343.383 2.372 20 30 EEEDLO CCOCC[N@@H+](Cc1ccc(C(=O)OC)o1)Cc1ccc(C#N)cn1 ZINC000577960591 320286253 /nfs/dbraw/zinc/28/62/53/320286253.db2.gz MLBATYZLZDCAIY-UHFFFAOYSA-N 1 2 343.383 2.372 20 30 EEEDLO Cn1c2c(cccc2F)[nH+]c1N1CCN(c2cnccc2C#N)CC1 ZINC000579545016 323873329 /nfs/dbraw/zinc/87/33/29/323873329.db2.gz FACQTKMISWECLU-UHFFFAOYSA-N 1 2 336.374 2.306 20 30 EEEDLO N#Cc1cccc(NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)n1 ZINC000580890917 324146957 /nfs/dbraw/zinc/14/69/57/324146957.db2.gz FQCJVETYKFCIBM-UHFFFAOYSA-N 1 2 342.428 2.150 20 30 EEEDLO N#Cc1cccc(NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)n1 ZINC000580890917 324146958 /nfs/dbraw/zinc/14/69/58/324146958.db2.gz FQCJVETYKFCIBM-UHFFFAOYSA-N 1 2 342.428 2.150 20 30 EEEDLO Cc1noc([C@@H]2CCCN(C(=O)NC[C@@H]3CCCn4cc[nH+]c43)C2)n1 ZINC000328614057 465071056 /nfs/dbraw/zinc/07/10/56/465071056.db2.gz QVIXCADMQJXRGX-UONOGXRCSA-N 1 2 344.419 2.246 20 30 EEEDLO C#CCOc1ccc(CNC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000296216453 465120045 /nfs/dbraw/zinc/12/00/45/465120045.db2.gz ALWSRQAKKCKYEK-UHFFFAOYSA-N 1 2 338.411 2.395 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 ZINC000328866863 465151791 /nfs/dbraw/zinc/15/17/91/465151791.db2.gz NZVMCYHTJPBZGD-NSHDSACASA-N 1 2 341.371 2.436 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC000328936296 465173686 /nfs/dbraw/zinc/17/36/86/465173686.db2.gz FUYKUOOKQUDLAA-ZJUUUORDSA-N 1 2 333.392 2.095 20 30 EEEDLO C=CC[C@H](CO)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000341685925 465254140 /nfs/dbraw/zinc/25/41/40/465254140.db2.gz UIPXVISCPGTABU-XJKSGUPXSA-N 1 2 346.406 2.132 20 30 EEEDLO CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329185884 465260459 /nfs/dbraw/zinc/26/04/59/465260459.db2.gz QKCVMJBKORFQMR-GXFFZTMASA-N 1 2 336.461 2.171 20 30 EEEDLO CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329185884 465260461 /nfs/dbraw/zinc/26/04/61/465260461.db2.gz QKCVMJBKORFQMR-GXFFZTMASA-N 1 2 336.461 2.171 20 30 EEEDLO C=CC[C@@H](CO)CNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000341861516 465270314 /nfs/dbraw/zinc/27/03/14/465270314.db2.gz XYMMIOMDPSDTLY-QGZVFWFLSA-N 1 2 346.475 2.302 20 30 EEEDLO C[C@@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000297931923 465274633 /nfs/dbraw/zinc/27/46/33/465274633.db2.gz RGRXJIWGWOQAED-ZDUSSCGKSA-N 1 2 341.864 2.339 20 30 EEEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NCC(=O)OC ZINC000297950705 465275809 /nfs/dbraw/zinc/27/58/09/465275809.db2.gz SXCNXMOLUHDXQJ-JTQLQIEISA-N 1 2 330.837 2.067 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NCC(=O)OC ZINC000297950705 465275814 /nfs/dbraw/zinc/27/58/14/465275814.db2.gz SXCNXMOLUHDXQJ-JTQLQIEISA-N 1 2 330.837 2.067 20 30 EEEDLO CCc1ccc(CNC(=O)C[NH+]2CCC(C#N)(COC)CC2)s1 ZINC000341983022 465280842 /nfs/dbraw/zinc/28/08/42/465280842.db2.gz SWNGYMMXWVHMAN-UHFFFAOYSA-N 1 2 335.473 2.179 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000064482936 462707091 /nfs/dbraw/zinc/70/70/91/462707091.db2.gz LJIKXYIGEJJMEV-RDJZCZTQSA-N 1 2 333.432 2.269 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000064482936 462707097 /nfs/dbraw/zinc/70/70/97/462707097.db2.gz LJIKXYIGEJJMEV-RDJZCZTQSA-N 1 2 333.432 2.269 20 30 EEEDLO CSC[C@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000129486562 462709557 /nfs/dbraw/zinc/70/95/57/462709557.db2.gz ZJPDKUNSMBUJBK-NSHDSACASA-N 1 2 330.457 2.398 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2c(C)noc2C)CC1 ZINC000065545096 462794556 /nfs/dbraw/zinc/79/45/56/462794556.db2.gz SFVSHMGPPMWCCO-INIZCTEOSA-N 1 2 348.491 2.222 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000065545096 462794559 /nfs/dbraw/zinc/79/45/59/462794559.db2.gz SFVSHMGPPMWCCO-INIZCTEOSA-N 1 2 348.491 2.222 20 30 EEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000155095010 462846171 /nfs/dbraw/zinc/84/61/71/462846171.db2.gz UZTQFQDZRAIZOR-UHFFFAOYSA-N 1 2 342.447 2.091 20 30 EEEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000155242198 462865655 /nfs/dbraw/zinc/86/56/55/462865655.db2.gz LSMPZQQQZWTIRI-CABCVRRESA-N 1 2 347.459 2.233 20 30 EEEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000155242198 462865658 /nfs/dbraw/zinc/86/56/58/462865658.db2.gz LSMPZQQQZWTIRI-CABCVRRESA-N 1 2 347.459 2.233 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000066308098 462872965 /nfs/dbraw/zinc/87/29/65/462872965.db2.gz QYIBYALLNGAIGX-MRXNPFEDSA-N 1 2 327.428 2.184 20 30 EEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000048217279 462874112 /nfs/dbraw/zinc/87/41/12/462874112.db2.gz JSQSHZKCCAKWEY-UHFFFAOYSA-N 1 2 341.377 2.125 20 30 EEEDLO C#CCOc1cccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000119898327 462939748 /nfs/dbraw/zinc/93/97/48/462939748.db2.gz AZTHIGAJQJWWFL-MRXNPFEDSA-N 1 2 336.395 2.494 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3cccnc3)CC2)cc1 ZINC000017843561 463002042 /nfs/dbraw/zinc/00/20/42/463002042.db2.gz ZMJHFLCXZGKUMG-UHFFFAOYSA-N 1 2 334.423 2.230 20 30 EEEDLO C[C@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023257876 463064100 /nfs/dbraw/zinc/06/41/00/463064100.db2.gz UGSTXELSNMOJQW-KRWDZBQOSA-N 1 2 340.471 2.077 20 30 EEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023257876 463064106 /nfs/dbraw/zinc/06/41/06/463064106.db2.gz UGSTXELSNMOJQW-KRWDZBQOSA-N 1 2 340.471 2.077 20 30 EEEDLO C[C@H](C#N)CN(C)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000068081165 463089356 /nfs/dbraw/zinc/08/93/56/463089356.db2.gz STFFDEDUZOXVQZ-CQSZACIVSA-N 1 2 339.399 2.144 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000052636109 463098201 /nfs/dbraw/zinc/09/82/01/463098201.db2.gz QTRXDVGMBNXNKJ-WGLAMXGCSA-N 1 2 340.471 2.078 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000052636109 463098207 /nfs/dbraw/zinc/09/82/07/463098207.db2.gz QTRXDVGMBNXNKJ-WGLAMXGCSA-N 1 2 340.471 2.078 20 30 EEEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC[NH+]1CCOCC1 ZINC000078312096 463103344 /nfs/dbraw/zinc/10/33/44/463103344.db2.gz UHTQZFRCIHQXHS-UHFFFAOYSA-N 1 2 343.880 2.431 20 30 EEEDLO N#Cc1c(F)cccc1N1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000068266069 463114571 /nfs/dbraw/zinc/11/45/71/463114571.db2.gz RPNAQTVJNJLZSS-UHFFFAOYSA-N 1 2 349.369 2.307 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ncc(-c2ccccc2)o1 ZINC000078687094 463140555 /nfs/dbraw/zinc/14/05/55/463140555.db2.gz JDZFSNPIVWBLBN-UHFFFAOYSA-N 1 2 340.427 2.389 20 30 EEEDLO COC[C@H](C1CC1)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000136533944 463244855 /nfs/dbraw/zinc/24/48/55/463244855.db2.gz JFKVRDZJXPDCPQ-OAHLLOKOSA-N 1 2 340.427 2.071 20 30 EEEDLO Cc1cc(NC(=O)c2ccc(C#N)cn2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000150695615 463412588 /nfs/dbraw/zinc/41/25/88/463412588.db2.gz VPHFUVTVFDTHIZ-UHFFFAOYSA-N 1 2 333.355 2.107 20 30 EEEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000081515020 463452526 /nfs/dbraw/zinc/45/25/26/463452526.db2.gz IFSXDDVJRGSPSA-HNNXBMFYSA-N 1 2 332.423 2.098 20 30 EEEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000081515020 463452531 /nfs/dbraw/zinc/45/25/31/463452531.db2.gz IFSXDDVJRGSPSA-HNNXBMFYSA-N 1 2 332.423 2.098 20 30 EEEDLO N#CC1(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)CCSCC1 ZINC000162516654 463517499 /nfs/dbraw/zinc/51/74/99/463517499.db2.gz DVHCXUKHOKTFLJ-UHFFFAOYSA-N 1 2 345.468 2.038 20 30 EEEDLO COCC[N@H+](CC(=O)N(C)Cc1ccco1)Cc1ccc(C#N)cc1 ZINC000058397843 463592152 /nfs/dbraw/zinc/59/21/52/463592152.db2.gz TVJKTWARWBWAKJ-UHFFFAOYSA-N 1 2 341.411 2.258 20 30 EEEDLO COCC[N@@H+](CC(=O)N(C)Cc1ccco1)Cc1ccc(C#N)cc1 ZINC000058397843 463592156 /nfs/dbraw/zinc/59/21/56/463592156.db2.gz TVJKTWARWBWAKJ-UHFFFAOYSA-N 1 2 341.411 2.258 20 30 EEEDLO Cc1cc[nH+]c(N2CCN([C@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000166387388 463655247 /nfs/dbraw/zinc/65/52/47/463655247.db2.gz GNZDCWVGUNABBP-MRXNPFEDSA-N 1 2 349.438 2.411 20 30 EEEDLO CC(C)C(=O)N1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000112649461 463705122 /nfs/dbraw/zinc/70/51/22/463705122.db2.gz BAHIZBHRWNOWJA-HNNXBMFYSA-N 1 2 342.443 2.076 20 30 EEEDLO CC(C)C(=O)N1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000112649461 463705124 /nfs/dbraw/zinc/70/51/24/463705124.db2.gz BAHIZBHRWNOWJA-HNNXBMFYSA-N 1 2 342.443 2.076 20 30 EEEDLO C[C@@H]1OCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000276747067 463742382 /nfs/dbraw/zinc/74/23/82/463742382.db2.gz XJJBPEDCRFLRCY-MAUKXSAKSA-N 1 2 327.428 2.018 20 30 EEEDLO COC(=O)c1ccsc1N1CC[C@H]([NH+]2CCC(CC#N)CC2)C1=O ZINC000541024862 468375377 /nfs/dbraw/zinc/37/53/77/468375377.db2.gz QQCKFGITSJYSQX-AWEZNQCLSA-N 1 2 347.440 2.266 20 30 EEEDLO C=CCC[C@@H](NC(=O)C(=O)N(C)Cc1[nH+]ccn1C)c1ccccc1 ZINC000289451171 464079540 /nfs/dbraw/zinc/07/95/40/464079540.db2.gz VLFNIRGNMOAUKU-MRXNPFEDSA-N 1 2 340.427 2.202 20 30 EEEDLO C=CCCCCNC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000284446195 464193464 /nfs/dbraw/zinc/19/34/64/464193464.db2.gz CBVPVYHCHOMGMR-CRAIPNDOSA-N 1 2 344.459 2.335 20 30 EEEDLO Cc1cc(C)c(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(C)c1 ZINC000179913820 464208344 /nfs/dbraw/zinc/20/83/44/464208344.db2.gz UMROEGVWLHTROY-UHFFFAOYSA-N 1 2 343.471 2.229 20 30 EEEDLO C=CCN(CCC#N)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000292582295 464280008 /nfs/dbraw/zinc/28/00/08/464280008.db2.gz JVSRZDGIQJNBKP-UHFFFAOYSA-N 1 2 328.416 2.452 20 30 EEEDLO COC(=O)c1cc(C#N)c(=O)n(Cc2ccc(C(C)C)[nH+]c2C)c1 ZINC000292744329 464327095 /nfs/dbraw/zinc/32/70/95/464327095.db2.gz UZKKOOGMFWNMJM-UHFFFAOYSA-N 1 2 325.368 2.382 20 30 EEEDLO C=CC[C@]1(C(=O)NCCn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000188656414 464334304 /nfs/dbraw/zinc/33/43/04/464334304.db2.gz TVNRXTQLWGESON-GOSISDBHSA-N 1 2 348.447 2.345 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(F)c(F)c2)C1=O ZINC000281232982 464379974 /nfs/dbraw/zinc/37/99/74/464379974.db2.gz FNDRSQZNKAFAGT-ABAIWWIYSA-N 1 2 337.370 2.011 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(F)c(F)c2)C1=O ZINC000281232982 464379981 /nfs/dbraw/zinc/37/99/81/464379981.db2.gz FNDRSQZNKAFAGT-ABAIWWIYSA-N 1 2 337.370 2.011 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)C1=O ZINC000281233001 464380548 /nfs/dbraw/zinc/38/05/48/464380548.db2.gz FNDRSQZNKAFAGT-XHDPSFHLSA-N 1 2 337.370 2.011 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)C1=O ZINC000281233001 464380553 /nfs/dbraw/zinc/38/05/53/464380553.db2.gz FNDRSQZNKAFAGT-XHDPSFHLSA-N 1 2 337.370 2.011 20 30 EEEDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1nc(-c2cccc(F)c2)no1 ZINC000174333232 464395105 /nfs/dbraw/zinc/39/51/05/464395105.db2.gz TXOPGPNPFNVQAZ-NEPJUHHUSA-N 1 2 345.378 2.287 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2c(C)cccc2C)C1=O ZINC000281370418 464429937 /nfs/dbraw/zinc/42/99/37/464429937.db2.gz OMOYDVWVXGHOMY-HZPDHXFCSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2c(C)cccc2C)C1=O ZINC000281370418 464429943 /nfs/dbraw/zinc/42/99/43/464429943.db2.gz OMOYDVWVXGHOMY-HZPDHXFCSA-N 1 2 329.444 2.349 20 30 EEEDLO N#Cc1c(NCc2cc[nH+]c(N3CCOCC3)c2)nc2ccccn21 ZINC000181369880 464478948 /nfs/dbraw/zinc/47/89/48/464478948.db2.gz FSRZBAKBRVPFNV-UHFFFAOYSA-N 1 2 334.383 2.050 20 30 EEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246082393 464540554 /nfs/dbraw/zinc/54/05/54/464540554.db2.gz MYPQLMMATZDEMW-DNCHLWJUSA-N 1 2 349.397 2.161 20 30 EEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246082393 464540561 /nfs/dbraw/zinc/54/05/61/464540561.db2.gz MYPQLMMATZDEMW-DNCHLWJUSA-N 1 2 349.397 2.161 20 30 EEEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(COc3ccc(C#N)cc3)n2)C1 ZINC000272362375 464576501 /nfs/dbraw/zinc/57/65/01/464576501.db2.gz BPAUMLZCVCMVNY-OAHLLOKOSA-N 1 2 328.372 2.302 20 30 EEEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(COc3ccc(C#N)cc3)n2)C1 ZINC000272362375 464576504 /nfs/dbraw/zinc/57/65/04/464576504.db2.gz BPAUMLZCVCMVNY-OAHLLOKOSA-N 1 2 328.372 2.302 20 30 EEEDLO C=CCN1CC[C@H](N(C)c2cc(CC)[nH+]c(-c3ccncc3)n2)C1=O ZINC000281803080 464591169 /nfs/dbraw/zinc/59/11/69/464591169.db2.gz ITHLPCIISBOXIV-INIZCTEOSA-N 1 2 337.427 2.324 20 30 EEEDLO CC#CCC[N@@H+]1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000190126794 464601035 /nfs/dbraw/zinc/60/10/35/464601035.db2.gz GGQIIXFKJRLYLG-AWEZNQCLSA-N 1 2 326.318 2.472 20 30 EEEDLO CC#CCC[N@H+]1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000190126794 464601042 /nfs/dbraw/zinc/60/10/42/464601042.db2.gz GGQIIXFKJRLYLG-AWEZNQCLSA-N 1 2 326.318 2.472 20 30 EEEDLO C#C[C@@H](NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1)C(C)C ZINC000282115695 464702792 /nfs/dbraw/zinc/70/27/92/464702792.db2.gz FDEQCRAXHOBDES-MSOLQXFVSA-N 1 2 329.444 2.017 20 30 EEEDLO C=CCCCCNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000274461169 464745354 /nfs/dbraw/zinc/74/53/54/464745354.db2.gz BTGITERHAOETFC-HNNXBMFYSA-N 1 2 332.448 2.462 20 30 EEEDLO C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1nncn1C ZINC000275201286 464766416 /nfs/dbraw/zinc/76/64/16/464766416.db2.gz QLXZBCIXJUIFIT-LBPRGKRZSA-N 1 2 346.822 2.066 20 30 EEEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000191075702 464773564 /nfs/dbraw/zinc/77/35/64/464773564.db2.gz KAYDHHVPKDTIRZ-CQSZACIVSA-N 1 2 334.416 2.243 20 30 EEEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000191075702 464773571 /nfs/dbraw/zinc/77/35/71/464773571.db2.gz KAYDHHVPKDTIRZ-CQSZACIVSA-N 1 2 334.416 2.243 20 30 EEEDLO CCc1ccc([C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CCO2)cc1 ZINC000248696572 464789183 /nfs/dbraw/zinc/78/91/83/464789183.db2.gz CNMPKFZRUOKLOO-QAPCUYQASA-N 1 2 329.444 2.383 20 30 EEEDLO CCc1ccc([C@@H]2C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CCO2)cc1 ZINC000248696572 464789187 /nfs/dbraw/zinc/78/91/87/464789187.db2.gz CNMPKFZRUOKLOO-QAPCUYQASA-N 1 2 329.444 2.383 20 30 EEEDLO C#C[C@@H](NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1)C(C)C ZINC000282381809 464796540 /nfs/dbraw/zinc/79/65/40/464796540.db2.gz XLEOAUFBRBVDFP-MSOLQXFVSA-N 1 2 329.444 2.017 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)O[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000267418687 464930840 /nfs/dbraw/zinc/93/08/40/464930840.db2.gz MAJVUWBDNYNAHP-CQSZACIVSA-N 1 2 331.416 2.116 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000184059185 464942723 /nfs/dbraw/zinc/94/27/23/464942723.db2.gz GVYSUBCPJOMIKS-ZWKOTPCHSA-N 1 2 346.471 2.173 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@@](F)(CO)C2)cc1 ZINC000286769731 465023824 /nfs/dbraw/zinc/02/38/24/465023824.db2.gz GLNDMFZXZIPMKQ-APWZRJJASA-N 1 2 347.434 2.427 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@@](F)(CO)C2)cc1 ZINC000286769731 465023826 /nfs/dbraw/zinc/02/38/26/465023826.db2.gz GLNDMFZXZIPMKQ-APWZRJJASA-N 1 2 347.434 2.427 20 30 EEEDLO C=CCCCNC(=O)C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000342513533 465325679 /nfs/dbraw/zinc/32/56/79/465325679.db2.gz QWBLIUMPTLBPAE-UHFFFAOYSA-N 1 2 349.500 2.037 20 30 EEEDLO N#CCCn1ccc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)n1 ZINC000342642298 465335604 /nfs/dbraw/zinc/33/56/04/465335604.db2.gz WDRISUWMHGMZCY-HNNXBMFYSA-N 1 2 334.383 2.681 20 30 EEEDLO Cc1cccc(-c2nnc(SC[C@H](O)C[N@H+](C)CCC#N)o2)c1 ZINC000591241274 468431520 /nfs/dbraw/zinc/43/15/20/468431520.db2.gz YRIVKKLRGNYRDK-CQSZACIVSA-N 1 2 332.429 2.344 20 30 EEEDLO Cc1cccc(-c2nnc(SC[C@H](O)C[N@@H+](C)CCC#N)o2)c1 ZINC000591241274 468431524 /nfs/dbraw/zinc/43/15/24/468431524.db2.gz YRIVKKLRGNYRDK-CQSZACIVSA-N 1 2 332.429 2.344 20 30 EEEDLO COc1ccc(C#N)cc1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000339627869 465399771 /nfs/dbraw/zinc/39/97/71/465399771.db2.gz CFNPBLCLFOBXOH-ZDUSSCGKSA-N 1 2 325.372 2.322 20 30 EEEDLO Cn1nccc1[C@@H]1CCCCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329757526 465425060 /nfs/dbraw/zinc/42/50/60/465425060.db2.gz ZKINLWDORSVVIG-WBMJQRKESA-N 1 2 328.420 2.142 20 30 EEEDLO Cn1nccc1[C@@H]1CCCCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329757526 465425069 /nfs/dbraw/zinc/42/50/69/465425069.db2.gz ZKINLWDORSVVIG-WBMJQRKESA-N 1 2 328.420 2.142 20 30 EEEDLO CNC(=O)CC1CCN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329913405 465473155 /nfs/dbraw/zinc/47/31/55/465473155.db2.gz XIHGEUJQMWOPDS-AWEZNQCLSA-N 1 2 333.436 2.048 20 30 EEEDLO CC(C)n1ncc2ccc(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)cc21 ZINC000329928349 465476937 /nfs/dbraw/zinc/47/69/37/465476937.db2.gz MHQRNILBFCUYRL-SJORKVTESA-N 1 2 343.431 2.178 20 30 EEEDLO CC(C)n1ncc2ccc(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)cc21 ZINC000329928349 465476940 /nfs/dbraw/zinc/47/69/40/465476940.db2.gz MHQRNILBFCUYRL-SJORKVTESA-N 1 2 343.431 2.178 20 30 EEEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)C2CCC(=O)CC2)nc[nH+]1 ZINC000329962585 465488167 /nfs/dbraw/zinc/48/81/67/465488167.db2.gz SEXFCTMMHHEAGQ-CYBMUJFWSA-N 1 2 331.420 2.203 20 30 EEEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)C2CCC(=O)CC2)[nH+]cn1 ZINC000329962585 465488172 /nfs/dbraw/zinc/48/81/72/465488172.db2.gz SEXFCTMMHHEAGQ-CYBMUJFWSA-N 1 2 331.420 2.203 20 30 EEEDLO N#CC[C@H](CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000343348342 465508573 /nfs/dbraw/zinc/50/85/73/465508573.db2.gz LKLWHHGHLCAXSV-SJLPKXTDSA-N 1 2 327.428 2.053 20 30 EEEDLO N#CC[C@H](CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000343348342 465508583 /nfs/dbraw/zinc/50/85/83/465508583.db2.gz LKLWHHGHLCAXSV-SJLPKXTDSA-N 1 2 327.428 2.053 20 30 EEEDLO Cc1ccc2c([n-]cc(C(=O)NC[C@]3([NH+](C)C)CCSC3)c2=O)[nH+]1 ZINC000330043473 465516130 /nfs/dbraw/zinc/51/61/30/465516130.db2.gz HHSMACLEBBGLML-QGZVFWFLSA-N 1 2 346.456 2.386 20 30 EEEDLO Cc1ccc2c(n1)[nH]cc(C(=O)NC[C@]1([NH+](C)C)CCSC1)c2=O ZINC000330043473 465516135 /nfs/dbraw/zinc/51/61/35/465516135.db2.gz HHSMACLEBBGLML-QGZVFWFLSA-N 1 2 346.456 2.386 20 30 EEEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000360064415 465527919 /nfs/dbraw/zinc/52/79/19/465527919.db2.gz CJFQJPYUXDFCJF-IRXDYDNUSA-N 1 2 337.427 2.465 20 30 EEEDLO CN(C[C@@H]1CCOC1)C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000330196217 465564452 /nfs/dbraw/zinc/56/44/52/465564452.db2.gz PXGOZJCZSTXDIN-UONOGXRCSA-N 1 2 334.464 2.378 20 30 EEEDLO N#CC1(F)CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000343970506 465570299 /nfs/dbraw/zinc/57/02/99/465570299.db2.gz IBUDRPKQKBMBFV-UHFFFAOYSA-N 1 2 331.395 2.219 20 30 EEEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3cccc(C)c3C#N)cn2c1 ZINC000356899586 465611499 /nfs/dbraw/zinc/61/14/99/465611499.db2.gz ZMDFZCZMZAZLMH-UHFFFAOYSA-N 1 2 340.408 2.301 20 30 EEEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c1 ZINC000330356834 465630023 /nfs/dbraw/zinc/63/00/23/465630023.db2.gz SCDOFZFTPTUZNC-VUCTXSBTSA-N 1 2 346.431 2.286 20 30 EEEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)c1 ZINC000330356834 465630030 /nfs/dbraw/zinc/63/00/30/465630030.db2.gz SCDOFZFTPTUZNC-VUCTXSBTSA-N 1 2 346.431 2.286 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CC(=O)NCc1cccs1 ZINC000353152955 465677173 /nfs/dbraw/zinc/67/71/73/465677173.db2.gz XPYCURFAMIOVGW-CQSZACIVSA-N 1 2 337.489 2.109 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000353152955 465677177 /nfs/dbraw/zinc/67/71/77/465677177.db2.gz XPYCURFAMIOVGW-CQSZACIVSA-N 1 2 337.489 2.109 20 30 EEEDLO O=C([C@H]1CCCO1)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000366471500 465747046 /nfs/dbraw/zinc/74/70/46/465747046.db2.gz VUHMWORZVIAESG-GOSISDBHSA-N 1 2 346.858 2.405 20 30 EEEDLO O=C([C@H]1CCCO1)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000366471500 465747052 /nfs/dbraw/zinc/74/70/52/465747052.db2.gz VUHMWORZVIAESG-GOSISDBHSA-N 1 2 346.858 2.405 20 30 EEEDLO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCOC(C)(C)[C@H]2C)c1C ZINC000331045554 465912217 /nfs/dbraw/zinc/91/22/17/465912217.db2.gz HRDPKWFOUGZDOM-CQSZACIVSA-N 1 2 333.432 2.464 20 30 EEEDLO Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCOC(C)(C)[C@H]2C)c1C ZINC000331045554 465912221 /nfs/dbraw/zinc/91/22/21/465912221.db2.gz HRDPKWFOUGZDOM-CQSZACIVSA-N 1 2 333.432 2.464 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)CCc3[nH]cc[nH+]3)C2)c(F)c1 ZINC000353497269 465932896 /nfs/dbraw/zinc/93/28/96/465932896.db2.gz CQKOXCXZICVXPF-CQSZACIVSA-N 1 2 341.390 2.138 20 30 EEEDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000362941308 466137202 /nfs/dbraw/zinc/13/72/02/466137202.db2.gz OBWNUOUJPZDURV-AWEZNQCLSA-N 1 2 336.823 2.444 20 30 EEEDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000362941308 466137209 /nfs/dbraw/zinc/13/72/09/466137209.db2.gz OBWNUOUJPZDURV-AWEZNQCLSA-N 1 2 336.823 2.444 20 30 EEEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccn(C(F)F)n3)C2=O)cc1 ZINC000362985932 466161889 /nfs/dbraw/zinc/16/18/89/466161889.db2.gz HDMOEKHDJSPXES-HNNXBMFYSA-N 1 2 345.353 2.041 20 30 EEEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCOCC1 ZINC000332528475 466542490 /nfs/dbraw/zinc/54/24/90/466542490.db2.gz OSBUDYMHMYHQQY-MRXNPFEDSA-N 1 2 341.455 2.265 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3cnn(CC(F)F)c3)CC2)c(F)c1 ZINC000350767625 466602059 /nfs/dbraw/zinc/60/20/59/466602059.db2.gz MGJJRKSTBKTYKQ-UHFFFAOYSA-N 1 2 349.360 2.481 20 30 EEEDLO N#CC1(NC(=O)C[NH+]2CCC(C(=O)c3cccs3)CC2)CCC1 ZINC000364146974 466685134 /nfs/dbraw/zinc/68/51/34/466685134.db2.gz KQZCYTQPGNCNSM-UHFFFAOYSA-N 1 2 331.441 2.205 20 30 EEEDLO N#Cc1cccc(-c2c[nH]c(CNc3nc[nH+]c(N)c3Cl)n2)c1 ZINC000365449084 466821360 /nfs/dbraw/zinc/82/13/60/466821360.db2.gz BLUFIRCTOJTLNF-UHFFFAOYSA-N 1 2 325.763 2.586 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCCC#N ZINC000375383952 466838518 /nfs/dbraw/zinc/83/85/18/466838518.db2.gz HRWUFYCHVXBTRT-AWEZNQCLSA-N 1 2 333.436 2.318 20 30 EEEDLO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2csnn2)c(OC)c1 ZINC000412025167 466969774 /nfs/dbraw/zinc/96/97/74/466969774.db2.gz HUYVEYIBMYEVIH-JSGCOSHPSA-N 1 2 349.456 2.366 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c1C ZINC000412037510 466975353 /nfs/dbraw/zinc/97/53/53/466975353.db2.gz WKOWJLOVMVEYIH-OAHLLOKOSA-N 1 2 327.432 2.390 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c1C ZINC000412037510 466975360 /nfs/dbraw/zinc/97/53/60/466975360.db2.gz WKOWJLOVMVEYIH-OAHLLOKOSA-N 1 2 327.432 2.390 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)c1C ZINC000412037510 466975366 /nfs/dbraw/zinc/97/53/66/466975366.db2.gz WKOWJLOVMVEYIH-OAHLLOKOSA-N 1 2 327.432 2.390 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)c1C ZINC000412037510 466975371 /nfs/dbraw/zinc/97/53/71/466975371.db2.gz WKOWJLOVMVEYIH-OAHLLOKOSA-N 1 2 327.432 2.390 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)c1C ZINC000412037510 466975375 /nfs/dbraw/zinc/97/53/75/466975375.db2.gz WKOWJLOVMVEYIH-OAHLLOKOSA-N 1 2 327.432 2.390 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)c1C ZINC000412037510 466975380 /nfs/dbraw/zinc/97/53/80/466975380.db2.gz WKOWJLOVMVEYIH-OAHLLOKOSA-N 1 2 327.432 2.390 20 30 EEEDLO N#C[C@H]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000424969742 467084546 /nfs/dbraw/zinc/08/45/46/467084546.db2.gz BYLATIHLGZNOMZ-WCQYABFASA-N 1 2 325.328 2.203 20 30 EEEDLO C=CC[N@H+](CCc1ccccc1)Cc1nnnn1C1CCOCC1 ZINC000432952004 467279181 /nfs/dbraw/zinc/27/91/81/467279181.db2.gz VPABGQJNOURZGD-UHFFFAOYSA-N 1 2 327.432 2.255 20 30 EEEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nnnn1C1CCOCC1 ZINC000432952004 467279185 /nfs/dbraw/zinc/27/91/85/467279185.db2.gz VPABGQJNOURZGD-UHFFFAOYSA-N 1 2 327.432 2.255 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000433462780 467334967 /nfs/dbraw/zinc/33/49/67/467334967.db2.gz LPRAGIIEPXUZQV-QGZVFWFLSA-N 1 2 340.427 2.494 20 30 EEEDLO N#CCC1(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2F)CC1 ZINC000429792350 467370561 /nfs/dbraw/zinc/37/05/61/467370561.db2.gz JUVPIBKXWNGWLY-LBPRGKRZSA-N 1 2 340.196 2.398 20 30 EEEDLO COc1cc(Br)ccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414130409 467381290 /nfs/dbraw/zinc/38/12/90/467381290.db2.gz WYSLOOPWIXBBEA-GFCCVEGCSA-N 1 2 343.221 2.043 20 30 EEEDLO COc1cc(Br)ccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414130409 467381293 /nfs/dbraw/zinc/38/12/93/467381293.db2.gz WYSLOOPWIXBBEA-GFCCVEGCSA-N 1 2 343.221 2.043 20 30 EEEDLO N#CCC1(CNC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000430208068 467409014 /nfs/dbraw/zinc/40/90/14/467409014.db2.gz SATUUSSLXYJYIH-QGZVFWFLSA-N 1 2 342.443 2.053 20 30 EEEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000408042794 467499013 /nfs/dbraw/zinc/49/90/13/467499013.db2.gz SWKUPHQMMUZNRY-VXGBXAGGSA-N 1 2 341.864 2.315 20 30 EEEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000408042794 467499016 /nfs/dbraw/zinc/49/90/16/467499016.db2.gz SWKUPHQMMUZNRY-VXGBXAGGSA-N 1 2 341.864 2.315 20 30 EEEDLO COCCc1noc(CC2CCN(c3cc(C)[nH+]cc3C#N)CC2)n1 ZINC000528120030 467674224 /nfs/dbraw/zinc/67/42/24/467674224.db2.gz 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/nfs/dbraw/zinc/83/63/91/468836391.db2.gz PDQSTRTYXMNKLB-QGZVFWFLSA-N 1 2 341.436 2.111 20 30 EEEDLO N#Cc1cccc(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000595393222 468836396 /nfs/dbraw/zinc/83/63/96/468836396.db2.gz PDQSTRTYXMNKLB-QGZVFWFLSA-N 1 2 341.436 2.111 20 30 EEEDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c([N+](=O)[O-])c1 ZINC000595613151 468921861 /nfs/dbraw/zinc/92/18/61/468921861.db2.gz ADAXMXPGCYKORP-LBPRGKRZSA-N 1 2 332.360 2.168 20 30 EEEDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c([N+](=O)[O-])c1 ZINC000595613151 468921864 /nfs/dbraw/zinc/92/18/64/468921864.db2.gz ADAXMXPGCYKORP-LBPRGKRZSA-N 1 2 332.360 2.168 20 30 EEEDLO CC[C@@H]([NH2+]CC(=O)N(CC)C[C@H](C)C#N)c1nnc2n1CCCCC2 ZINC000595798975 469017649 /nfs/dbraw/zinc/01/76/49/469017649.db2.gz BEBOWJDWESMMRH-HUUCEWRRSA-N 1 2 346.479 2.053 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000562685231 469035899 /nfs/dbraw/zinc/03/58/99/469035899.db2.gz MFLPQVWNZRDKMG-AEFFLSMTSA-N 1 2 330.428 2.357 20 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/nfs/dbraw/zinc/27/98/91/469279891.db2.gz QFBJEBUKGFBCGU-GFCCVEGCSA-N 1 2 336.233 2.226 20 30 EEEDLO N#Cc1cnn(-c2ccc(C(=O)Nc3ccn4cc[nH+]c4c3)cc2)c1N ZINC000619578659 469644211 /nfs/dbraw/zinc/64/42/11/469644211.db2.gz UFCAAWUEXFPHAI-UHFFFAOYSA-N 1 2 343.350 2.226 20 30 EEEDLO C[C@H]1COCC[N@@H+]1CCNc1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000609150182 469896816 /nfs/dbraw/zinc/89/68/16/469896816.db2.gz SNITWGCRGDDELZ-NSHDSACASA-N 1 2 348.809 2.453 20 30 EEEDLO C[C@H]1COCC[N@H+]1CCNc1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000609150182 469896819 /nfs/dbraw/zinc/89/68/19/469896819.db2.gz SNITWGCRGDDELZ-NSHDSACASA-N 1 2 348.809 2.453 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000609485337 469931885 /nfs/dbraw/zinc/93/18/85/469931885.db2.gz NPNCIDHCLAESBD-IKJBURDNSA-N 1 2 334.508 2.236 20 30 EEEDLO C=CCc1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)cc(OC)c1OC ZINC000646258171 470582279 /nfs/dbraw/zinc/58/22/79/470582279.db2.gz IOEWIRBIVUXWHJ-UHFFFAOYSA-N 1 2 327.384 2.354 20 30 EEEDLO C=CCc1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)cc(OC)c1OC ZINC000646258171 470582283 /nfs/dbraw/zinc/58/22/83/470582283.db2.gz IOEWIRBIVUXWHJ-UHFFFAOYSA-N 1 2 327.384 2.354 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000649830908 470712500 /nfs/dbraw/zinc/71/25/00/470712500.db2.gz NILIMBSYAAFHEE-IBGZPJMESA-N 1 2 327.472 2.046 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000649830908 470712503 /nfs/dbraw/zinc/71/25/03/470712503.db2.gz NILIMBSYAAFHEE-IBGZPJMESA-N 1 2 327.472 2.046 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccc(C)cc2F)nn1 ZINC000640909243 471113197 /nfs/dbraw/zinc/11/31/97/471113197.db2.gz KBBUFABGUTXVCT-CYBMUJFWSA-N 1 2 329.379 2.038 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)nn1 ZINC000657377182 471118839 /nfs/dbraw/zinc/11/88/39/471118839.db2.gz NNPVHIYYPKLDHL-RHSMWYFYSA-N 1 2 325.416 2.138 20 30 EEEDLO C=CCOc1ccc(C[NH2+]Cc2nc(C(N)=O)cs2)cc1OC ZINC000657688760 471209502 /nfs/dbraw/zinc/20/95/02/471209502.db2.gz 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ZINC000066864989 490581288 /nfs/dbraw/zinc/58/12/88/490581288.db2.gz CEJIQFFKBLHZOP-UHFFFAOYSA-N 1 2 349.450 2.188 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC)CC(=O)NCc1ccc(F)cc1 ZINC000066864989 490581290 /nfs/dbraw/zinc/58/12/90/490581290.db2.gz CEJIQFFKBLHZOP-UHFFFAOYSA-N 1 2 349.450 2.188 20 30 EEEDLO C[C@@H](CNS(=O)(=O)CCCCC#N)[N@@H+]1CCc2sccc2C1 ZINC000109338032 534066527 /nfs/dbraw/zinc/06/65/27/534066527.db2.gz LUWAOYZCZGQKAT-ZDUSSCGKSA-N 1 2 341.502 2.108 20 30 EEEDLO C[C@@H](CNS(=O)(=O)CCCCC#N)[N@H+]1CCc2sccc2C1 ZINC000109338032 534066537 /nfs/dbraw/zinc/06/65/37/534066537.db2.gz LUWAOYZCZGQKAT-ZDUSSCGKSA-N 1 2 341.502 2.108 20 30 EEEDLO C=CCN(CCc1ccccc1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356377185 526308532 /nfs/dbraw/zinc/30/85/32/526308532.db2.gz RGFFLNRMQFBASG-QGZVFWFLSA-N 1 2 331.460 2.147 20 30 EEEDLO C=CCN(CCc1ccccc1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356377185 526308543 /nfs/dbraw/zinc/30/85/43/526308543.db2.gz RGFFLNRMQFBASG-QGZVFWFLSA-N 1 2 331.460 2.147 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2CC)CC1 ZINC000339002199 526771375 /nfs/dbraw/zinc/77/13/75/526771375.db2.gz JMCWRUXWJWFIMS-KRWDZBQOSA-N 1 2 346.471 2.363 20 30 EEEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000111250918 527680818 /nfs/dbraw/zinc/68/08/18/527680818.db2.gz MBKBHYUFUQYLJB-INIZCTEOSA-N 1 2 329.444 2.368 20 30 EEEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000111250918 527680820 /nfs/dbraw/zinc/68/08/20/527680820.db2.gz MBKBHYUFUQYLJB-INIZCTEOSA-N 1 2 329.444 2.368 20 30 EEEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)Nc2ccc(O)cc2)CC1 ZINC000725800786 576032503 /nfs/dbraw/zinc/03/25/03/576032503.db2.gz JWVICZSXKIGGDG-UHFFFAOYSA-N 1 2 336.395 2.025 20 30 EEEDLO O=S(=O)(c1ccc(N=NC2C[NH+]3CCC2CC3)cc1)C(F)F ZINC000726424629 576263905 /nfs/dbraw/zinc/26/39/05/576263905.db2.gz AURWQUVRKBXVEY-UHFFFAOYSA-N 1 2 329.372 2.176 20 30 EEEDLO CCCC(Cc1ccccc1)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000727254418 576415377 /nfs/dbraw/zinc/41/53/77/576415377.db2.gz SKIGUPNPURUFNH-UHFFFAOYSA-N 1 2 348.516 2.182 20 30 EEEDLO CC[N@H+](CCC(=O)OC)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000728918506 576560074 /nfs/dbraw/zinc/56/00/74/576560074.db2.gz ZPOUJGHLENLDRA-LBPRGKRZSA-N 1 2 345.424 2.358 20 30 EEEDLO CC[N@@H+](CCC(=O)OC)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000728918506 576560076 /nfs/dbraw/zinc/56/00/76/576560076.db2.gz ZPOUJGHLENLDRA-LBPRGKRZSA-N 1 2 345.424 2.358 20 30 EEEDLO Cc1nc(SCC(=O)OCCn2cc[nH+]c2)c(C#N)c(C)c1C ZINC000771891968 577236688 /nfs/dbraw/zinc/23/66/88/577236688.db2.gz JLABNMKUOMBNNP-UHFFFAOYSA-N 1 2 330.413 2.411 20 30 EEEDLO C#C[C@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCO1 ZINC000775804781 577446406 /nfs/dbraw/zinc/44/64/06/577446406.db2.gz CGUDMXPOFSAMPP-CQDKDKBSSA-N 1 2 342.355 2.476 20 30 EEEDLO Cn1ncc2c1nc(N=NC1CC[NH+](C3CCCCC3)CC1)[nH]c2=O ZINC000769819347 577585344 /nfs/dbraw/zinc/58/53/44/577585344.db2.gz MBXPKZNCRQDTJO-UHFFFAOYSA-N 1 2 343.435 2.265 20 30 EEEDLO Cn1ncc2c1[nH]c(NN=C1CC[NH+](C3CCCCC3)CC1)nc2=O ZINC000769819347 577585345 /nfs/dbraw/zinc/58/53/45/577585345.db2.gz MBXPKZNCRQDTJO-UHFFFAOYSA-N 1 2 343.435 2.265 20 30 EEEDLO NC(=[NH+]OC[C@@H]1CC2(CC2)C(=O)O1)c1ccc(Br)cc1 ZINC000762210168 577697240 /nfs/dbraw/zinc/69/72/40/577697240.db2.gz BQCONZMSVIDTHG-NSHDSACASA-N 1 2 339.189 2.182 20 30 EEEDLO CC(C)(C)CN1CCC[C@@H](O[NH+]=C(N)c2ccc3c(c2)CCO3)C1=O ZINC000763419754 577720943 /nfs/dbraw/zinc/72/09/43/577720943.db2.gz GVWGOOHOOMOKOB-MRXNPFEDSA-N 1 2 345.443 2.296 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CC1=NNS(=O)(=O)c1ccccc1 ZINC000751516567 577754664 /nfs/dbraw/zinc/75/46/64/577754664.db2.gz KFVWUJDXHBBLJE-OAHLLOKOSA-N 1 2 343.452 2.473 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1=NNS(=O)(=O)c1ccccc1 ZINC000751516567 577754665 /nfs/dbraw/zinc/75/46/65/577754665.db2.gz KFVWUJDXHBBLJE-OAHLLOKOSA-N 1 2 343.452 2.473 20 30 EEEDLO C#CCOCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000753384750 577786398 /nfs/dbraw/zinc/78/63/98/577786398.db2.gz RQBRMJHMAFTSKI-ZWKOTPCHSA-N 1 2 338.411 2.061 20 30 EEEDLO COC(=O)c1cccc(CO[NH+]=C(N)[C@H](C)OCC(C)C)c1C#N ZINC000755820704 577832344 /nfs/dbraw/zinc/83/23/44/577832344.db2.gz XZHBMZVONRWXNM-LBPRGKRZSA-N 1 2 333.388 2.404 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2cc(C#N)cs2)C1 ZINC000758028485 577868521 /nfs/dbraw/zinc/86/85/21/577868521.db2.gz GBPMBCLKJLSPGQ-TZMCWYRMSA-N 1 2 332.429 2.468 20 30 EEEDLO N#CCCN(Cc1cccnc1)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000748725148 577966071 /nfs/dbraw/zinc/96/60/71/577966071.db2.gz YELQYQFUHCOOGJ-UHFFFAOYSA-N 1 2 332.367 2.218 20 30 EEEDLO CC(C)COC(=O)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000749255228 577973571 /nfs/dbraw/zinc/97/35/71/577973571.db2.gz HOVYYROLAIORNY-UHFFFAOYSA-N 1 2 331.416 2.347 20 30 EEEDLO C=CCN(CC=C)C(=O)COC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000735958414 578175122 /nfs/dbraw/zinc/17/51/22/578175122.db2.gz HGWKHSKCTWDPTF-MRXNPFEDSA-N 1 2 342.439 2.177 20 30 EEEDLO C=CCN(CC=C)C(=O)COC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000735958414 578175123 /nfs/dbraw/zinc/17/51/23/578175123.db2.gz HGWKHSKCTWDPTF-MRXNPFEDSA-N 1 2 342.439 2.177 20 30 EEEDLO C=C(Cl)CNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000736403683 578201413 /nfs/dbraw/zinc/20/14/13/578201413.db2.gz YXDKUMURCLEYMS-GFCCVEGCSA-N 1 2 329.853 2.173 20 30 EEEDLO C[C@@H](NC(=O)c1cc[nH]c1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969727157 675174156 /nfs/dbraw/zinc/17/41/56/675174156.db2.gz ATCQFRITQDBTJH-GFCCVEGCSA-N 1 2 326.375 2.276 20 30 EEEDLO Cc1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3C#N)C2)c(C)nn1 ZINC000969750667 675182845 /nfs/dbraw/zinc/18/28/45/675182845.db2.gz WXYPVUKEPWLMJU-AWEZNQCLSA-N 1 2 349.438 2.215 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cncc(F)c2)C1 ZINC000970570122 675992280 /nfs/dbraw/zinc/99/22/80/675992280.db2.gz HDNHRKJYZARLCE-BVGQSLNGSA-N 1 2 347.434 2.138 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccns2)C1 ZINC000970572167 675994484 /nfs/dbraw/zinc/99/44/84/675994484.db2.gz RTYDXIQEJBHSME-RCBQFDQVSA-N 1 2 335.473 2.061 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2csnn2)C1 ZINC000970577150 675998313 /nfs/dbraw/zinc/99/83/13/675998313.db2.gz NQFXFUKUNJMKDU-XJKSGUPXSA-N 1 2 340.452 2.014 20 30 EEEDLO C=C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1)c1ccccc1 ZINC000970777098 676142793 /nfs/dbraw/zinc/14/27/93/676142793.db2.gz MQXLINLDPNMNJF-CVEARBPZSA-N 1 2 326.400 2.038 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2sc(COC)nc2C)C1 ZINC000970809530 676164688 /nfs/dbraw/zinc/16/46/88/676164688.db2.gz BRCHMTLCZMHMQT-SNVBAGLBSA-N 1 2 343.880 2.401 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH2+]Cc3nc(C4CCC4)no3)C2)C1 ZINC000969882570 675279699 /nfs/dbraw/zinc/27/96/99/675279699.db2.gz CEUYPDKYPVUOQZ-CQSZACIVSA-N 1 2 330.432 2.384 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C)on2)C1 ZINC000971027426 676326015 /nfs/dbraw/zinc/32/60/15/676326015.db2.gz WUMDAEGMCNVQQG-LLVKDONJSA-N 1 2 328.210 2.038 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C)on2)C1 ZINC000971027426 676326016 /nfs/dbraw/zinc/32/60/16/676326016.db2.gz WUMDAEGMCNVQQG-LLVKDONJSA-N 1 2 328.210 2.038 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(C)C(C)(C)C3(C)C)C2)C1 ZINC000972700174 679667859 /nfs/dbraw/zinc/66/78/59/679667859.db2.gz TUQAYJQSUZFSNJ-HXUWFJFHSA-N 1 2 332.488 2.385 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(C)C(C)(C)C3(C)C)C2)C1 ZINC000972700174 679667860 /nfs/dbraw/zinc/66/78/60/679667860.db2.gz TUQAYJQSUZFSNJ-HXUWFJFHSA-N 1 2 332.488 2.385 20 30 EEEDLO CCc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC000971289277 676471314 /nfs/dbraw/zinc/47/13/14/676471314.db2.gz QZEYTQYTVLGTFL-CQSZACIVSA-N 1 2 343.456 2.252 20 30 EEEDLO CCc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC000971289277 676471317 /nfs/dbraw/zinc/47/13/17/676471317.db2.gz QZEYTQYTVLGTFL-CQSZACIVSA-N 1 2 343.456 2.252 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC000971338526 676490759 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C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000971576373 676630728 /nfs/dbraw/zinc/63/07/28/676630728.db2.gz QUOLGDQTLJTYSR-KGLIPLIRSA-N 1 2 343.324 2.491 20 30 EEEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000971576373 676630729 /nfs/dbraw/zinc/63/07/29/676630729.db2.gz QUOLGDQTLJTYSR-KGLIPLIRSA-N 1 2 343.324 2.491 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@H+](C)Cc2nccs2)C1 ZINC000971687634 676738298 /nfs/dbraw/zinc/73/82/98/676738298.db2.gz NESIZWMQHCAGMO-AWEZNQCLSA-N 1 2 330.457 2.477 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@@H+](C)Cc2nccs2)C1 ZINC000971687634 676738299 /nfs/dbraw/zinc/73/82/99/676738299.db2.gz NESIZWMQHCAGMO-AWEZNQCLSA-N 1 2 330.457 2.477 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([N@H+](C)Cc3cc4n(n3)CCC4)C2)C1 ZINC000972282227 678492254 /nfs/dbraw/zinc/49/22/54/678492254.db2.gz AELYQCBHXAXQCH-QGZVFWFLSA-N 1 2 328.460 2.218 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cc4n(n3)CCC4)C2)C1 ZINC000972282227 678492258 /nfs/dbraw/zinc/49/22/58/678492258.db2.gz AELYQCBHXAXQCH-QGZVFWFLSA-N 1 2 328.460 2.218 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)C2)C1 ZINC000972391920 678671460 /nfs/dbraw/zinc/67/14/60/678671460.db2.gz QFIFSGNRORKKOE-QUCCMNQESA-N 1 2 330.472 2.450 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)C2)C1 ZINC000972391920 678671463 /nfs/dbraw/zinc/67/14/63/678671463.db2.gz QFIFSGNRORKKOE-QUCCMNQESA-N 1 2 330.472 2.450 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc(CCC)c3)C2)C1 ZINC000972419806 678715113 /nfs/dbraw/zinc/71/51/13/678715113.db2.gz JOSWUOALMYQRFV-IBGZPJMESA-N 1 2 329.444 2.137 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc(CCC)c3)C2)C1 ZINC000972419806 678715117 /nfs/dbraw/zinc/71/51/17/678715117.db2.gz JOSWUOALMYQRFV-IBGZPJMESA-N 1 2 329.444 2.137 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC=CCCC3)C2)C1 ZINC000972431867 678731391 /nfs/dbraw/zinc/73/13/91/678731391.db2.gz WCDOWMBGIUCZRP-QUCCMNQESA-N 1 2 330.472 2.450 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1195367115 /nfs/dbraw/zinc/36/71/15/1195367115.db2.gz HSVWVGLNYALRQK-WDEREUQCSA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC2(F)F)C1 ZINC001033829121 1195367118 /nfs/dbraw/zinc/36/71/18/1195367118.db2.gz HSVWVGLNYALRQK-WDEREUQCSA-N 1 2 337.208 2.473 20 30 EEEDLO C#CCC[N@H+]1CCCC[C@@H](NC(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC001034287643 1196050419 /nfs/dbraw/zinc/05/04/19/1196050419.db2.gz WZKYOJIRHWNNQH-OAHLLOKOSA-N 1 2 337.423 2.136 20 30 EEEDLO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC001034287643 1196050421 /nfs/dbraw/zinc/05/04/21/1196050421.db2.gz WZKYOJIRHWNNQH-OAHLLOKOSA-N 1 2 337.423 2.136 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H](NC(=O)c3cnco3)C2)c1 ZINC001034338523 1196110255 /nfs/dbraw/zinc/11/02/55/1196110255.db2.gz XSIZBTDXFMRXBR-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H](NC(=O)c3cnco3)C2)c1 ZINC001034338523 1196110258 /nfs/dbraw/zinc/11/02/58/1196110258.db2.gz XSIZBTDXFMRXBR-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2CC)C1 ZINC001034479176 1196269104 /nfs/dbraw/zinc/26/91/04/1196269104.db2.gz UBNLEQCNTGSDGJ-CABCVRRESA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2CC)C1 ZINC001034479176 1196269107 /nfs/dbraw/zinc/26/91/07/1196269107.db2.gz UBNLEQCNTGSDGJ-CABCVRRESA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnc(OCC)cn2)C1 ZINC001034554352 1196386559 /nfs/dbraw/zinc/38/65/59/1196386559.db2.gz USOAHTJZXYYVFQ-CYBMUJFWSA-N 1 2 338.839 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnc(OCC)cn2)C1 ZINC001034554352 1196386564 /nfs/dbraw/zinc/38/65/64/1196386564.db2.gz USOAHTJZXYYVFQ-CYBMUJFWSA-N 1 2 338.839 2.212 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-n2cccc2)ccn1 ZINC001018152052 1224399124 /nfs/dbraw/zinc/39/91/24/1224399124.db2.gz IJXFHFKOQDKSLV-HDICACEKSA-N 1 2 334.423 2.184 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-n2cccc2)ccn1 ZINC001018152052 1224399132 /nfs/dbraw/zinc/39/91/32/1224399132.db2.gz IJXFHFKOQDKSLV-HDICACEKSA-N 1 2 334.423 2.184 20 30 EEEDLO COc1cc2c(c(OC)c1)C(=O)/C(=C/c1c[nH+]c(N(C)C)n1C)O2 ZINC000871669970 1197822478 /nfs/dbraw/zinc/82/24/78/1197822478.db2.gz IUYGCFWLBMTSDQ-NSIKDUERSA-N 1 2 329.356 2.120 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)CC1(C)C ZINC001114485305 1197904671 /nfs/dbraw/zinc/90/46/71/1197904671.db2.gz ZZCPNNLXEGVEPC-CQSZACIVSA-N 1 2 342.447 2.051 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ncc(C5CC5)o4)C[C@H]32)CCC1 ZINC001114397787 1197923322 /nfs/dbraw/zinc/92/33/22/1197923322.db2.gz SFFJJHXFPHFVGT-HWWDLCQESA-N 1 2 339.439 2.292 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ncc(C5CC5)o4)C[C@H]32)CCC1 ZINC001114397787 1197923334 /nfs/dbraw/zinc/92/33/34/1197923334.db2.gz SFFJJHXFPHFVGT-HWWDLCQESA-N 1 2 339.439 2.292 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)cn1 ZINC001273324768 1198178410 /nfs/dbraw/zinc/17/84/10/1198178410.db2.gz CGBFYVORDCTRLD-UHFFFAOYSA-N 1 2 338.333 2.196 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)cn1 ZINC001273324768 1198178415 /nfs/dbraw/zinc/17/84/15/1198178415.db2.gz CGBFYVORDCTRLD-UHFFFAOYSA-N 1 2 338.333 2.196 20 30 EEEDLO C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[NH+]2CCC(C)(F)CC2)C1=O ZINC000872691161 1198336518 /nfs/dbraw/zinc/33/65/18/1198336518.db2.gz ZZMFYNWJQOXUGB-SFHVURJKSA-N 1 2 344.390 2.107 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC001132001896 1199188527 /nfs/dbraw/zinc/18/85/27/1199188527.db2.gz FCNINSYQGMBCLK-SJLPKXTDSA-N 1 2 341.455 2.398 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccccc2)C1 ZINC001132001896 1199188530 /nfs/dbraw/zinc/18/85/30/1199188530.db2.gz FCNINSYQGMBCLK-SJLPKXTDSA-N 1 2 341.455 2.398 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NC2CCCCC2)C1 ZINC001132016534 1199211240 /nfs/dbraw/zinc/21/12/40/1199211240.db2.gz HZSZXZBZYMIKGZ-FUHWJXTLSA-N 1 2 347.503 2.064 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC001132016534 1199211243 /nfs/dbraw/zinc/21/12/43/1199211243.db2.gz HZSZXZBZYMIKGZ-FUHWJXTLSA-N 1 2 347.503 2.064 20 30 EEEDLO COc1nccc(C[N@@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)n1 ZINC001132034072 1199218358 /nfs/dbraw/zinc/21/83/58/1199218358.db2.gz NPZRNRDPZWCSHV-HUUCEWRRSA-N 1 2 344.459 2.004 20 30 EEEDLO COc1nccc(C[N@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)n1 ZINC001132034072 1199218360 /nfs/dbraw/zinc/21/83/60/1199218360.db2.gz NPZRNRDPZWCSHV-HUUCEWRRSA-N 1 2 344.459 2.004 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001132041856 1199227808 /nfs/dbraw/zinc/22/78/08/1199227808.db2.gz LMSZQXIFKQYSAH-GOEBONIOSA-N 1 2 349.862 2.244 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001132041856 1199227809 /nfs/dbraw/zinc/22/78/09/1199227809.db2.gz LMSZQXIFKQYSAH-GOEBONIOSA-N 1 2 349.862 2.244 20 30 EEEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nc(C3CCCC3)no2)cc1 ZINC001132222652 1199463729 /nfs/dbraw/zinc/46/37/29/1199463729.db2.gz CYPNULILQVWUSK-UHFFFAOYSA-N 1 2 338.411 2.228 20 30 EEEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nc(-c3ccccc3)no2)cc1 ZINC001132227004 1199467513 /nfs/dbraw/zinc/46/75/13/1199467513.db2.gz YLGNYTTXOFBGPI-UHFFFAOYSA-N 1 2 346.390 2.238 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2ccoc2C2CC2)CC[C@H]1C ZINC001132238943 1199486903 /nfs/dbraw/zinc/48/69/03/1199486903.db2.gz XIERIFYCMGCJGG-HIFRSBDPSA-N 1 2 345.443 2.042 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccoc2C2CC2)CC[C@H]1C ZINC001132238943 1199486907 /nfs/dbraw/zinc/48/69/07/1199486907.db2.gz XIERIFYCMGCJGG-HIFRSBDPSA-N 1 2 345.443 2.042 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCNC(=O)C2CCC2)CC[C@H]1C ZINC001132355077 1199598314 /nfs/dbraw/zinc/59/83/14/1199598314.db2.gz TTXSAWBFBKUNLP-UKRRQHHQSA-N 1 2 341.883 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCNC(=O)C2CCC2)CC[C@H]1C ZINC001132355077 1199598316 /nfs/dbraw/zinc/59/83/16/1199598316.db2.gz TTXSAWBFBKUNLP-UKRRQHHQSA-N 1 2 341.883 2.014 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(Cc2ccc(F)cc2)no1 ZINC001132395643 1199652638 /nfs/dbraw/zinc/65/26/38/1199652638.db2.gz JJYKNFYNZLPOLB-UHFFFAOYSA-N 1 2 346.406 2.218 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2oc(CC)cc2C)CC[C@H]1C ZINC001132423879 1199675137 /nfs/dbraw/zinc/67/51/37/1199675137.db2.gz CLPDBVMOHRWTPF-HUUCEWRRSA-N 1 2 347.459 2.035 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2oc(CC)cc2C)CC[C@H]1C ZINC001132423879 1199675141 /nfs/dbraw/zinc/67/51/41/1199675141.db2.gz CLPDBVMOHRWTPF-HUUCEWRRSA-N 1 2 347.459 2.035 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccoc2CCC)CC[C@@H]1C ZINC001132425314 1199715169 /nfs/dbraw/zinc/71/51/69/1199715169.db2.gz HOJUBATZPYLDBK-GJZGRUSLSA-N 1 2 347.459 2.117 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2ccoc2CCC)CC[C@@H]1C ZINC001132425314 1199715172 /nfs/dbraw/zinc/71/51/72/1199715172.db2.gz HOJUBATZPYLDBK-GJZGRUSLSA-N 1 2 347.459 2.117 20 30 EEEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000876987413 1199837800 /nfs/dbraw/zinc/83/78/00/1199837800.db2.gz WPQISZXNHFHPND-UHFFFAOYSA-N 1 2 337.427 2.225 20 30 EEEDLO Cc1cc(N2C[C@H](NC(=O)C#CC3CC3)C(C)(C)C2)nc(C2CC2)[nH+]1 ZINC001114450465 1200224976 /nfs/dbraw/zinc/22/49/76/1200224976.db2.gz CJZSUVOSAQLLQJ-INIZCTEOSA-N 1 2 338.455 2.407 20 30 EEEDLO C=CCCC1(C(=O)NCC[NH2+]Cc2nc(-c3ccco3)no2)CC1 ZINC001133375809 1200803963 /nfs/dbraw/zinc/80/39/63/1200803963.db2.gz JPFMEWYBFXEGDR-UHFFFAOYSA-N 1 2 330.388 2.282 20 30 EEEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000879138022 1200884252 /nfs/dbraw/zinc/88/42/52/1200884252.db2.gz ZSFFQLMIBDDNPB-CABCVRRESA-N 1 2 346.431 2.210 20 30 EEEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000879138022 1200884262 /nfs/dbraw/zinc/88/42/62/1200884262.db2.gz ZSFFQLMIBDDNPB-CABCVRRESA-N 1 2 346.431 2.210 20 30 EEEDLO N#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)o1 ZINC000870997381 1200997933 /nfs/dbraw/zinc/99/79/33/1200997933.db2.gz MQBAGLDQBLURCU-UHFFFAOYSA-N 1 2 328.397 2.029 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C(C)(CC)CC)C2)CC1 ZINC001018381844 1224659305 /nfs/dbraw/zinc/65/93/05/1224659305.db2.gz DXCHUXDGRPGPEW-QGZVFWFLSA-N 1 2 349.519 2.382 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)N(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001018396988 1224673382 /nfs/dbraw/zinc/67/33/82/1224673382.db2.gz WGEKXWOVOLOEHU-RDJZCZTQSA-N 1 2 344.459 2.125 20 30 EEEDLO Cc1ccc([C@@H](CNc2cc(C#N)nc(C)n2)[NH+]2CCOCC2)cc1 ZINC000881829309 1201768774 /nfs/dbraw/zinc/76/87/74/1201768774.db2.gz IDXQCDOITPVYII-GOSISDBHSA-N 1 2 337.427 2.451 20 30 EEEDLO C#C[C@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1CCCO1 ZINC000883626639 1202100353 /nfs/dbraw/zinc/10/03/53/1202100353.db2.gz BJEXUOMWNAHDQI-RCCFBDPRSA-N 1 2 338.411 2.104 20 30 EEEDLO NC(=[NH+]OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000005295807 1204290931 /nfs/dbraw/zinc/29/09/31/1204290931.db2.gz FLNZEBMFNHRASU-UHFFFAOYSA-N 1 2 329.312 2.298 20 30 EEEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc(C(=O)OC)ccn2)C1=O ZINC001274003121 1204292666 /nfs/dbraw/zinc/29/26/66/1204292666.db2.gz QIRWPNFFSBVYPM-IBGZPJMESA-N 1 2 343.427 2.011 20 30 EEEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C(=O)OC)ccn2)C1=O ZINC001274003121 1204292668 /nfs/dbraw/zinc/29/26/68/1204292668.db2.gz QIRWPNFFSBVYPM-IBGZPJMESA-N 1 2 343.427 2.011 20 30 EEEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc(C)c(OCC)c1)C2 ZINC001274102992 1204371115 /nfs/dbraw/zinc/37/11/15/1204371115.db2.gz TZVJAUXJCDCJKQ-UHFFFAOYSA-N 1 2 344.455 2.383 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](CC)CCCC)C2 ZINC001110827845 1204899759 /nfs/dbraw/zinc/89/97/59/1204899759.db2.gz DQTYHPMCVZHSQM-TVFCKZIOSA-N 1 2 347.503 2.064 20 30 EEEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](CC)CCCC)C2 ZINC001110827845 1204899762 /nfs/dbraw/zinc/89/97/62/1204899762.db2.gz DQTYHPMCVZHSQM-TVFCKZIOSA-N 1 2 347.503 2.064 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(Cl)cc(F)c2O)C1=O ZINC001274365231 1205010434 /nfs/dbraw/zinc/01/04/34/1205010434.db2.gz AXLDSMGWUWRWHH-KRWDZBQOSA-N 1 2 336.794 2.385 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)C1=O ZINC001274365231 1205010437 /nfs/dbraw/zinc/01/04/37/1205010437.db2.gz AXLDSMGWUWRWHH-KRWDZBQOSA-N 1 2 336.794 2.385 20 30 EEEDLO C#Cc1ccccc1C(=O)N1CC2(C1)C[NH+](Cc1scnc1C)C2 ZINC001274873950 1205194268 /nfs/dbraw/zinc/19/42/68/1205194268.db2.gz DCRAQRIUMZQFSZ-UHFFFAOYSA-N 1 2 337.448 2.391 20 30 EEEDLO N#Cc1cccc(CN2CC[C@@]3(CCC[N@@H+]3Cc3cnccn3)C2=O)c1 ZINC001275473403 1205375139 /nfs/dbraw/zinc/37/51/39/1205375139.db2.gz XWNXQEZHUKTASW-FQEVSTJZSA-N 1 2 347.422 2.115 20 30 EEEDLO N#Cc1cccc(CN2CC[C@@]3(CCC[N@H+]3Cc3cnccn3)C2=O)c1 ZINC001275473403 1205375141 /nfs/dbraw/zinc/37/51/41/1205375141.db2.gz XWNXQEZHUKTASW-FQEVSTJZSA-N 1 2 347.422 2.115 20 30 EEEDLO NC(=[NH+]OCC(=O)NCCc1ccc(Cl)cc1)c1ccccc1 ZINC000005295756 1205422716 /nfs/dbraw/zinc/42/27/16/1205422716.db2.gz MVRBIPZGCQSGOR-UHFFFAOYSA-N 1 2 331.803 2.336 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3OCCN(Cc4ccc[nH]4)[C@H]3C2)c(F)c1 ZINC001275956330 1205602156 /nfs/dbraw/zinc/60/21/56/1205602156.db2.gz HPRBOGNIWBUVFE-OALUTQOASA-N 1 2 340.402 2.111 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3OCCN(Cc4ccc[nH]4)[C@H]3C2)c(F)c1 ZINC001275956330 1205602158 /nfs/dbraw/zinc/60/21/58/1205602158.db2.gz HPRBOGNIWBUVFE-OALUTQOASA-N 1 2 340.402 2.111 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NCCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001095527499 1205857572 /nfs/dbraw/zinc/85/75/72/1205857572.db2.gz AQFZQTBSEZFGSB-GOSISDBHSA-N 1 2 334.464 2.178 20 30 EEEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3cc[nH]n3)s1)C2 ZINC001095577918 1205880192 /nfs/dbraw/zinc/88/01/92/1205880192.db2.gz IMOBAZQGMVMTMR-XBFCOCLRSA-N 1 2 326.425 2.107 20 30 EEEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3cc[nH]n3)s1)C2 ZINC001095577918 1205880193 /nfs/dbraw/zinc/88/01/93/1205880193.db2.gz IMOBAZQGMVMTMR-XBFCOCLRSA-N 1 2 326.425 2.107 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1ccccc1=O)C2 ZINC001110894917 1205991994 /nfs/dbraw/zinc/99/19/94/1205991994.db2.gz KRGRCRPCLQRFQZ-OAGGEKHMSA-N 1 2 349.862 2.103 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1ccccc1=O)C2 ZINC001110894917 1205991999 /nfs/dbraw/zinc/99/19/99/1205991999.db2.gz KRGRCRPCLQRFQZ-OAGGEKHMSA-N 1 2 349.862 2.103 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)CCC)C1 ZINC001111001646 1206600815 /nfs/dbraw/zinc/60/08/15/1206600815.db2.gz IGWNBFLYGQNIHK-VQHPVUNQSA-N 1 2 347.503 2.369 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)CCC)C1 ZINC001111001646 1206600816 /nfs/dbraw/zinc/60/08/16/1206600816.db2.gz IGWNBFLYGQNIHK-VQHPVUNQSA-N 1 2 347.503 2.369 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccn3ccnc3c2)C1 ZINC001015254990 1224989714 /nfs/dbraw/zinc/98/97/14/1224989714.db2.gz VLNSDUUTLVFWJV-GOSISDBHSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccn3ccnc3c2)C1 ZINC001015254990 1224989719 /nfs/dbraw/zinc/98/97/19/1224989719.db2.gz VLNSDUUTLVFWJV-GOSISDBHSA-N 1 2 345.406 2.210 20 30 EEEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C#N)C2)c(OC)c1 ZINC000932164302 1207550797 /nfs/dbraw/zinc/55/07/97/1207550797.db2.gz ZHLCTOVAISNXMR-SJORKVTESA-N 1 2 330.428 2.399 20 30 EEEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C#N)C2)c(OC)c1 ZINC000932164302 1207550800 /nfs/dbraw/zinc/55/08/00/1207550800.db2.gz ZHLCTOVAISNXMR-SJORKVTESA-N 1 2 330.428 2.399 20 30 EEEDLO C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)n[nH]c1C(F)(F)F)C2 ZINC001095772343 1208504486 /nfs/dbraw/zinc/50/44/86/1208504486.db2.gz QGPTZVSBWJGPQH-WOPDTQHZSA-N 1 2 340.349 2.095 20 30 EEEDLO C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)n[nH]c1C(F)(F)F)C2 ZINC001095772343 1208504489 /nfs/dbraw/zinc/50/44/89/1208504489.db2.gz QGPTZVSBWJGPQH-WOPDTQHZSA-N 1 2 340.349 2.095 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)C[C@@H]1C ZINC000947557294 1208619771 /nfs/dbraw/zinc/61/97/71/1208619771.db2.gz WWYHMDNRIPZSNC-CMPLNLGQSA-N 1 2 342.365 2.343 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)C[C@@H]1C ZINC000947557294 1208619774 /nfs/dbraw/zinc/61/97/74/1208619774.db2.gz WWYHMDNRIPZSNC-CMPLNLGQSA-N 1 2 342.365 2.343 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nccn3C)[C@@H](C)C2)cc1 ZINC000947612997 1208645127 /nfs/dbraw/zinc/64/51/27/1208645127.db2.gz YPKRBNCWKQMXSZ-YJBOKZPZSA-N 1 2 336.439 2.184 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nccn3C)[C@@H](C)C2)cc1 ZINC000947612997 1208645129 /nfs/dbraw/zinc/64/51/29/1208645129.db2.gz YPKRBNCWKQMXSZ-YJBOKZPZSA-N 1 2 336.439 2.184 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2n[nH]nc2-c2ccccc2)C[C@@H]1C ZINC000948073948 1208857233 /nfs/dbraw/zinc/85/72/33/1208857233.db2.gz PDATUJUDHIKOAQ-HOCLYGCPSA-N 1 2 337.427 2.078 20 30 EEEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2n[nH]nc2-c2ccccc2)C[C@@H]1C ZINC000948073948 1208857238 /nfs/dbraw/zinc/85/72/38/1208857238.db2.gz PDATUJUDHIKOAQ-HOCLYGCPSA-N 1 2 337.427 2.078 20 30 EEEDLO C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1snnc1C ZINC000948893924 1209441549 /nfs/dbraw/zinc/44/15/49/1209441549.db2.gz GLNXODQHKIUMRK-INIZCTEOSA-N 1 2 340.452 2.199 20 30 EEEDLO C#CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1snnc1C ZINC000948893924 1209441551 /nfs/dbraw/zinc/44/15/51/1209441551.db2.gz GLNXODQHKIUMRK-INIZCTEOSA-N 1 2 340.452 2.199 20 30 EEEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(OC)no1 ZINC000948910044 1209447277 /nfs/dbraw/zinc/44/72/77/1209447277.db2.gz HEIAXKCMVCIZDU-OAHLLOKOSA-N 1 2 327.384 2.198 20 30 EEEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(OC)no1 ZINC000948910044 1209447279 /nfs/dbraw/zinc/44/72/79/1209447279.db2.gz HEIAXKCMVCIZDU-OAHLLOKOSA-N 1 2 327.384 2.198 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1nccn1CC ZINC000948913373 1209449471 /nfs/dbraw/zinc/44/94/71/1209449471.db2.gz RWEUUZHJDJMGFS-GOSISDBHSA-N 1 2 336.439 2.256 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1nccn1CC ZINC000948913373 1209449473 /nfs/dbraw/zinc/44/94/73/1209449473.db2.gz RWEUUZHJDJMGFS-GOSISDBHSA-N 1 2 336.439 2.256 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1c(C)[nH]nc1Cl ZINC000948923970 1209455506 /nfs/dbraw/zinc/45/55/06/1209455506.db2.gz YSKIWXOERSHGIL-HNNXBMFYSA-N 1 2 342.830 2.334 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1c(C)[nH]nc1Cl ZINC000948923970 1209455507 /nfs/dbraw/zinc/45/55/07/1209455507.db2.gz YSKIWXOERSHGIL-HNNXBMFYSA-N 1 2 342.830 2.334 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC000948936572 1209463366 /nfs/dbraw/zinc/46/33/66/1209463366.db2.gz ULCNCJZPFLJDJD-SBHAEUEKSA-N 1 2 338.451 2.294 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC000948936572 1209463368 /nfs/dbraw/zinc/46/33/68/1209463368.db2.gz ULCNCJZPFLJDJD-SBHAEUEKSA-N 1 2 338.451 2.294 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccnc(OCC)c1 ZINC000948957835 1209473861 /nfs/dbraw/zinc/47/38/61/1209473861.db2.gz JMJWXPWJITZUHQ-IBGZPJMESA-N 1 2 349.434 2.443 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccnc(OCC)c1 ZINC000948957835 1209473864 /nfs/dbraw/zinc/47/38/64/1209473864.db2.gz JMJWXPWJITZUHQ-IBGZPJMESA-N 1 2 349.434 2.443 20 30 EEEDLO CCN(C(=O)[C@@H]1CC1(F)F)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000950026837 1209987548 /nfs/dbraw/zinc/98/75/48/1209987548.db2.gz XKYXDCSQRXMDMQ-INIZCTEOSA-N 1 2 349.381 2.277 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2COc3cc(F)ccc3C2)C1 ZINC000950094140 1210020642 /nfs/dbraw/zinc/02/06/42/1210020642.db2.gz BZUKMLYAEIKLCR-OAHLLOKOSA-N 1 2 332.419 2.486 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC001015392809 1225191472 /nfs/dbraw/zinc/19/14/72/1225191472.db2.gz QKVKVHXMNDTOPP-OLZOCXBDSA-N 1 2 340.880 2.055 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC001015392809 1225191475 /nfs/dbraw/zinc/19/14/75/1225191475.db2.gz QKVKVHXMNDTOPP-OLZOCXBDSA-N 1 2 340.880 2.055 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000950597532 1210296937 /nfs/dbraw/zinc/29/69/37/1210296937.db2.gz QTFUWFLPHSEWHJ-MJBXVCDLSA-N 1 2 347.286 2.306 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H]([NH2+]Cc3nc(CC)no3)C2)CCCC1 ZINC001490861375 1210485581 /nfs/dbraw/zinc/48/55/81/1210485581.db2.gz USEMYPGCJXLNSG-AWEZNQCLSA-N 1 2 332.448 2.459 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC000950957083 1210524827 /nfs/dbraw/zinc/52/48/27/1210524827.db2.gz VKDLALMVPPTKRZ-UHFFFAOYSA-N 1 2 327.432 2.243 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]2CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000951065526 1210598489 /nfs/dbraw/zinc/59/84/89/1210598489.db2.gz CNAXMJWLCMZNTE-AWEZNQCLSA-N 1 2 338.411 2.021 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000951545944 1210874057 /nfs/dbraw/zinc/87/40/57/1210874057.db2.gz UVEFWLKCWFPFQA-AWEZNQCLSA-N 1 2 340.427 2.267 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]cc[nH+]1 ZINC000952587070 1211494084 /nfs/dbraw/zinc/49/40/84/1211494084.db2.gz FXEYSTSMGSTAHW-VCBZYWHSSA-N 1 2 344.459 2.146 20 30 EEEDLO CCN(CCCNC(=O)c1ccc(C#N)[nH]1)c1nc(C)[nH+]c(C)c1C ZINC001095870139 1211569360 /nfs/dbraw/zinc/56/93/60/1211569360.db2.gz FXOXJJKRMKJECR-UHFFFAOYSA-N 1 2 340.431 2.248 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC001015472883 1225302945 /nfs/dbraw/zinc/30/29/45/1225302945.db2.gz BBVRQHOOSCCPGW-KRWDZBQOSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC001015472883 1225302952 /nfs/dbraw/zinc/30/29/52/1225302952.db2.gz BBVRQHOOSCCPGW-KRWDZBQOSA-N 1 2 345.406 2.439 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC000952932179 1211626533 /nfs/dbraw/zinc/62/65/33/1211626533.db2.gz RIJBTUGHTIUVOZ-IBGZPJMESA-N 1 2 344.459 2.006 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](CCOC2CCC2)C1 ZINC000953831121 1212128792 /nfs/dbraw/zinc/12/87/92/1212128792.db2.gz SLQXKGSASSJXMB-ROUUACIJSA-N 1 2 336.476 2.069 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1[C@H]2CN(c3nc(C)[nH+]c4c3CCCC4)C[C@H]21 ZINC001114514725 1212299315 /nfs/dbraw/zinc/29/93/15/1212299315.db2.gz QRHPTSSSFPYFJI-OSYLJGHBSA-N 1 2 340.471 2.428 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001114580904 1212377753 /nfs/dbraw/zinc/37/77/53/1212377753.db2.gz VYMUJHNTPPGKMD-ZSOGYDGISA-N 1 2 334.851 2.362 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2cnc3ccc(C)cc32)C1 ZINC001015602641 1225452163 /nfs/dbraw/zinc/45/21/63/1225452163.db2.gz WSKXZJPAUIFNPS-CQSZACIVSA-N 1 2 332.835 2.288 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnc3ccc(C)cc32)C1 ZINC001015602641 1225452169 /nfs/dbraw/zinc/45/21/69/1225452169.db2.gz WSKXZJPAUIFNPS-CQSZACIVSA-N 1 2 332.835 2.288 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3cccnc32)C1 ZINC001015625334 1225479671 /nfs/dbraw/zinc/47/96/71/1225479671.db2.gz OCULGFQWZPAPSK-RBUKOAKNSA-N 1 2 346.434 2.374 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3cccnc32)C1 ZINC001015625334 1225479676 /nfs/dbraw/zinc/47/96/76/1225479676.db2.gz OCULGFQWZPAPSK-RBUKOAKNSA-N 1 2 346.434 2.374 20 30 EEEDLO Cn1cc(CN2CC3(C2)C[NH+](Cc2c(O)cccc2F)C3)cc1C#N ZINC001276354393 1213899840 /nfs/dbraw/zinc/89/98/40/1213899840.db2.gz SVSWMBCFGJHMPF-UHFFFAOYSA-N 1 2 340.402 2.059 20 30 EEEDLO Cc1ncccc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001015631152 1225489495 /nfs/dbraw/zinc/48/94/95/1225489495.db2.gz IMHGDKFLDYGPQS-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1ncccc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001015631152 1225489499 /nfs/dbraw/zinc/48/94/99/1225489499.db2.gz IMHGDKFLDYGPQS-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO C#CCC1(C(=O)N2CCO[C@H]([C@@H](C)Nc3cc[nH+]c(C)n3)C2)CCC1 ZINC001114642804 1214373229 /nfs/dbraw/zinc/37/32/29/1214373229.db2.gz DFVRIUQTWUWSBJ-ZBFHGGJFSA-N 1 2 342.443 2.006 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1conc1C1CC1 ZINC001015683887 1225547548 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343.456 2.354 20 30 EEEDLO C[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)CCOC1 ZINC001009006155 1223110634 /nfs/dbraw/zinc/11/06/34/1223110634.db2.gz XGIFIDSLUFPSGJ-LPHOPBHVSA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)CCOC1 ZINC001009006155 1223110637 /nfs/dbraw/zinc/11/06/37/1223110637.db2.gz XGIFIDSLUFPSGJ-LPHOPBHVSA-N 1 2 345.418 2.205 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2C[C@@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001010279549 1223640147 /nfs/dbraw/zinc/64/01/47/1223640147.db2.gz RJJAGUCTPFJFNC-HUUCEWRRSA-N 1 2 344.459 2.052 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)c3ccncc3F)C2)c1 ZINC001010418409 1223711783 /nfs/dbraw/zinc/71/17/83/1223711783.db2.gz KLIJJZSXLQZQJR-CQSZACIVSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)c3ccncc3F)C2)c1 ZINC001010418409 1223711785 /nfs/dbraw/zinc/71/17/85/1223711785.db2.gz KLIJJZSXLQZQJR-CQSZACIVSA-N 1 2 342.349 2.236 20 30 EEEDLO Cc1ccncc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010426883 1223715614 /nfs/dbraw/zinc/71/56/14/1223715614.db2.gz GURRZGLKULZHFR-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1ccncc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010426883 1223715616 /nfs/dbraw/zinc/71/56/16/1223715616.db2.gz GURRZGLKULZHFR-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(F)cn3)C2)c(F)c1 ZINC001010719768 1223869451 /nfs/dbraw/zinc/86/94/51/1223869451.db2.gz STKHRLDLMFROBH-OAHLLOKOSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(F)cn3)C2)c(F)c1 ZINC001010719768 1223869456 /nfs/dbraw/zinc/86/94/56/1223869456.db2.gz STKHRLDLMFROBH-OAHLLOKOSA-N 1 2 342.349 2.236 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C(=O)Nc3ccccc32)C1 ZINC001016390573 1226427869 /nfs/dbraw/zinc/42/78/69/1226427869.db2.gz AGNQUFHHMDAJQR-JSGCOSHPSA-N 1 2 333.819 2.055 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2C(=O)Nc3ccccc32)C1 ZINC001016390573 1226427873 /nfs/dbraw/zinc/42/78/73/1226427873.db2.gz AGNQUFHHMDAJQR-JSGCOSHPSA-N 1 2 333.819 2.055 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2COc3ccccc32)C1 ZINC001016403563 1226441977 /nfs/dbraw/zinc/44/19/77/1226441977.db2.gz UNYUIMODMUFARU-MJGOQNOKSA-N 1 2 347.418 2.425 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COc3ccccc32)C1 ZINC001016403563 1226441984 /nfs/dbraw/zinc/44/19/84/1226441984.db2.gz UNYUIMODMUFARU-MJGOQNOKSA-N 1 2 347.418 2.425 20 30 EEEDLO CCc1ccnc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)c1 ZINC001014533762 1226732968 /nfs/dbraw/zinc/73/29/68/1226732968.db2.gz IIZQZXQNEQZTQT-IBGZPJMESA-N 1 2 333.435 2.500 20 30 EEEDLO CCc1ccnc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC001014533762 1226732975 /nfs/dbraw/zinc/73/29/75/1226732975.db2.gz IIZQZXQNEQZTQT-IBGZPJMESA-N 1 2 333.435 2.500 20 30 EEEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1Nc1cccc(F)c1C#N ZINC001067083964 1226859642 /nfs/dbraw/zinc/85/96/42/1226859642.db2.gz JEAQTVNXBVKTHH-WBMJQRKESA-N 1 2 341.390 2.312 20 30 EEEDLO C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC001017605427 1227564989 /nfs/dbraw/zinc/56/49/89/1227564989.db2.gz FSVALVDFGQRBFI-IYBDPMFKSA-N 1 2 339.443 2.280 20 30 EEEDLO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC001017605427 1227564995 /nfs/dbraw/zinc/56/49/95/1227564995.db2.gz FSVALVDFGQRBFI-IYBDPMFKSA-N 1 2 339.443 2.280 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N(C)C)cc1F ZINC001017617737 1227575811 /nfs/dbraw/zinc/57/58/11/1227575811.db2.gz SQZCWJULNBUQSH-IYBDPMFKSA-N 1 2 329.419 2.204 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N(C)C)cc1F ZINC001017617737 1227575813 /nfs/dbraw/zinc/57/58/13/1227575813.db2.gz SQZCWJULNBUQSH-IYBDPMFKSA-N 1 2 329.419 2.204 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc(C2CC2)c1Cl ZINC001017704416 1227657332 /nfs/dbraw/zinc/65/73/32/1227657332.db2.gz WFTGHOJZUWBRTD-BETUJISGSA-N 1 2 332.835 2.253 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc(C2CC2)c1Cl ZINC001017704416 1227657333 /nfs/dbraw/zinc/65/73/33/1227657333.db2.gz WFTGHOJZUWBRTD-BETUJISGSA-N 1 2 332.835 2.253 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001054681628 1248855223 /nfs/dbraw/zinc/85/52/23/1248855223.db2.gz RXWTVONWYCVAFL-CMPLNLGQSA-N 1 2 340.855 2.347 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nc([C@@H](C)OCC)no2)C1 ZINC001019238130 1228903812 /nfs/dbraw/zinc/90/38/12/1228903812.db2.gz NXBXVOKZBQMHEI-OLZOCXBDSA-N 1 2 336.436 2.070 20 30 EEEDLO CC(C)n1cnc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c1 ZINC001038550704 1229911032 /nfs/dbraw/zinc/91/10/32/1229911032.db2.gz GSSPLJUHOKCCIM-QGZVFWFLSA-N 1 2 337.427 2.340 20 30 EEEDLO CC(C)n1cnc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)c1 ZINC001038550704 1229911037 /nfs/dbraw/zinc/91/10/37/1229911037.db2.gz GSSPLJUHOKCCIM-QGZVFWFLSA-N 1 2 337.427 2.340 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccnc(C3CC3)n2)cc1 ZINC001038760837 1230029998 /nfs/dbraw/zinc/02/99/98/1230029998.db2.gz RBNBXUCUXXHXOO-QGZVFWFLSA-N 1 2 347.422 2.230 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccnc(C3CC3)n2)cc1 ZINC001038760837 1230030001 /nfs/dbraw/zinc/03/00/01/1230030001.db2.gz RBNBXUCUXXHXOO-QGZVFWFLSA-N 1 2 347.422 2.230 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CC23CCC3)cc1C#N ZINC001038760968 1230030996 /nfs/dbraw/zinc/03/09/96/1230030996.db2.gz FGARGRKMGOKHAI-DLBZAZTESA-N 1 2 339.439 2.448 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CC23CCC3)cc1C#N ZINC001038760968 1230031000 /nfs/dbraw/zinc/03/10/00/1230031000.db2.gz FGARGRKMGOKHAI-DLBZAZTESA-N 1 2 339.439 2.448 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2coc(C3CC3)n2)c1 ZINC001038779455 1230047729 /nfs/dbraw/zinc/04/77/29/1230047729.db2.gz DWRKIFPHFNWHLZ-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2coc(C3CC3)n2)c1 ZINC001038779455 1230047731 /nfs/dbraw/zinc/04/77/31/1230047731.db2.gz DWRKIFPHFNWHLZ-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO CCn1ncc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c1C ZINC001038835898 1230097248 /nfs/dbraw/zinc/09/72/48/1230097248.db2.gz LSKOIAPXPOEPND-QGZVFWFLSA-N 1 2 337.427 2.087 20 30 EEEDLO CCn1ncc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)c1C ZINC001038835898 1230097251 /nfs/dbraw/zinc/09/72/51/1230097251.db2.gz LSKOIAPXPOEPND-QGZVFWFLSA-N 1 2 337.427 2.087 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cnoc2C2CC2)cc1 ZINC001038876803 1230128138 /nfs/dbraw/zinc/12/81/38/1230128138.db2.gz OBZZXEZELCPMIP-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cnoc2C2CC2)cc1 ZINC001038876803 1230128141 /nfs/dbraw/zinc/12/81/41/1230128141.db2.gz OBZZXEZELCPMIP-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO Cc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)no1 ZINC001039358180 1230551070 /nfs/dbraw/zinc/55/10/70/1230551070.db2.gz JKWPZVULRGRNOO-SJORKVTESA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)no1 ZINC001039358180 1230551075 /nfs/dbraw/zinc/55/10/75/1230551075.db2.gz JKWPZVULRGRNOO-SJORKVTESA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(C#N)cc2)[nH]n1 ZINC001039521375 1230674021 /nfs/dbraw/zinc/67/40/21/1230674021.db2.gz QSRZJDRNRUUBLF-HDICACEKSA-N 1 2 349.438 2.469 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)cc2)[nH]n1 ZINC001039521375 1230674024 /nfs/dbraw/zinc/67/40/24/1230674024.db2.gz QSRZJDRNRUUBLF-HDICACEKSA-N 1 2 349.438 2.469 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(C#N)cc2)n[nH]1 ZINC001039521375 1230674025 /nfs/dbraw/zinc/67/40/25/1230674025.db2.gz QSRZJDRNRUUBLF-HDICACEKSA-N 1 2 349.438 2.469 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)cc2)n[nH]1 ZINC001039521375 1230674026 /nfs/dbraw/zinc/67/40/26/1230674026.db2.gz QSRZJDRNRUUBLF-HDICACEKSA-N 1 2 349.438 2.469 20 30 EEEDLO CC(C)c1nnc(C[N@@H+]2CC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)o1 ZINC001041274000 1231491593 /nfs/dbraw/zinc/49/15/93/1231491593.db2.gz RWYUWMOLXUGKCD-IBGZPJMESA-N 1 2 342.443 2.031 20 30 EEEDLO CC(C)c1nnc(C[N@H+]2CC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)o1 ZINC001041274000 1231491596 /nfs/dbraw/zinc/49/15/96/1231491596.db2.gz RWYUWMOLXUGKCD-IBGZPJMESA-N 1 2 342.443 2.031 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@]3(CC[N@H+](Cc4nncs4)C3)C2)C1 ZINC001041658189 1231640249 /nfs/dbraw/zinc/64/02/49/1231640249.db2.gz WLHVMGBHNVCMBO-KRWDZBQOSA-N 1 2 332.473 2.319 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@]3(CC[N@@H+](Cc4nncs4)C3)C2)C1 ZINC001041658189 1231640250 /nfs/dbraw/zinc/64/02/50/1231640250.db2.gz WLHVMGBHNVCMBO-KRWDZBQOSA-N 1 2 332.473 2.319 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](Cc4ncccn4)[C@@H]3C2)cc1 ZINC001042180779 1231940324 /nfs/dbraw/zinc/94/03/24/1231940324.db2.gz YAYOMWOKWBBHAW-PKOBYXMFSA-N 1 2 346.434 2.195 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4ncccn4)[C@@H]3C2)cc1 ZINC001042180779 1231940326 /nfs/dbraw/zinc/94/03/26/1231940326.db2.gz YAYOMWOKWBBHAW-PKOBYXMFSA-N 1 2 346.434 2.195 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3CC)[C@@H]2C1 ZINC001042185530 1231944137 /nfs/dbraw/zinc/94/41/37/1231944137.db2.gz ULCGNMWWLMWCOP-HZPDHXFCSA-N 1 2 345.491 2.323 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3CC)[C@@H]2C1 ZINC001042185530 1231944140 /nfs/dbraw/zinc/94/41/40/1231944140.db2.gz ULCGNMWWLMWCOP-HZPDHXFCSA-N 1 2 345.491 2.323 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4nonc4C)[C@H]3C2)C1 ZINC001042224135 1231966263 /nfs/dbraw/zinc/96/62/63/1231966263.db2.gz JADRWWADALWILY-HOCLYGCPSA-N 1 2 330.432 2.157 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@H+](Cc4nonc4C)[C@H]3C2)C1 ZINC001042224135 1231966264 /nfs/dbraw/zinc/96/62/64/1231966264.db2.gz JADRWWADALWILY-HOCLYGCPSA-N 1 2 330.432 2.157 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001043921788 1232625337 /nfs/dbraw/zinc/62/53/37/1232625337.db2.gz AMSKTUWSCFNDBI-MJGOQNOKSA-N 1 2 339.439 2.402 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2n[nH]cc2C)CC1 ZINC001045434809 1233743727 /nfs/dbraw/zinc/74/37/27/1233743727.db2.gz XYWQNWCXBVEGBC-UHFFFAOYSA-N 1 2 341.253 2.211 20 30 EEEDLO Cc1oc(C(C)C)cc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046074785 1234409108 /nfs/dbraw/zinc/40/91/08/1234409108.db2.gz HAJGYABEFASBKZ-MRXNPFEDSA-N 1 2 344.459 2.067 20 30 EEEDLO C[C@]1(NC(=O)[C@H]2CCCOC2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046188382 1234530273 /nfs/dbraw/zinc/53/02/73/1234530273.db2.gz DNIBMINEKFVNHR-KXBFYZLASA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@]1(NC(=O)[C@H]2CCCOC2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046188382 1234530275 /nfs/dbraw/zinc/53/02/75/1234530275.db2.gz DNIBMINEKFVNHR-KXBFYZLASA-N 1 2 345.418 2.205 20 30 EEEDLO Cc1ncc(C(=O)N[C@@]2(C)CC[N@H+](Cc3cc(C#N)ccc3F)C2)[nH]1 ZINC001046195446 1234541477 /nfs/dbraw/zinc/54/14/77/1234541477.db2.gz NAQORSITHQHKMO-SFHVURJKSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1ncc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cc(C#N)ccc3F)C2)[nH]1 ZINC001046195446 1234541482 /nfs/dbraw/zinc/54/14/82/1234541482.db2.gz NAQORSITHQHKMO-SFHVURJKSA-N 1 2 341.390 2.123 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001046389371 1234743343 /nfs/dbraw/zinc/74/33/43/1234743343.db2.gz HVOVATUYVDGERB-VNHYZAJKSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001046389371 1234743346 /nfs/dbraw/zinc/74/33/46/1234743346.db2.gz HVOVATUYVDGERB-VNHYZAJKSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001046389370 1234743450 /nfs/dbraw/zinc/74/34/50/1234743450.db2.gz HVOVATUYVDGERB-IPYPFGDCSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001046389370 1234743454 /nfs/dbraw/zinc/74/34/54/1234743454.db2.gz HVOVATUYVDGERB-IPYPFGDCSA-N 1 2 345.281 2.291 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046624408 1235007543 /nfs/dbraw/zinc/00/75/43/1235007543.db2.gz KFQSKILAQPYMAU-FMEYXAORSA-N 1 2 345.418 2.203 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046624408 1235007548 /nfs/dbraw/zinc/00/75/48/1235007548.db2.gz KFQSKILAQPYMAU-FMEYXAORSA-N 1 2 345.418 2.203 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001046631302 1235014285 /nfs/dbraw/zinc/01/42/85/1235014285.db2.gz FKSVBPNHLJFHRY-VCBZYWHSSA-N 1 2 345.443 2.224 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001046631302 1235014287 /nfs/dbraw/zinc/01/42/87/1235014287.db2.gz FKSVBPNHLJFHRY-VCBZYWHSSA-N 1 2 345.443 2.224 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2nc3ccccn3c2F)C1 ZINC001046750365 1235147169 /nfs/dbraw/zinc/14/71/69/1235147169.db2.gz VCZRKLAEDMVEQV-INIZCTEOSA-N 1 2 336.798 2.420 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2nc3ccccn3c2F)C1 ZINC001046750365 1235147170 /nfs/dbraw/zinc/14/71/70/1235147170.db2.gz 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C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc3ccccc31)CO2 ZINC001053996605 1247126323 /nfs/dbraw/zinc/12/63/23/1247126323.db2.gz OFOJOZWDEKRZBL-KRWDZBQOSA-N 1 2 334.419 2.436 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001054040999 1247200853 /nfs/dbraw/zinc/20/08/53/1247200853.db2.gz COBXYSHDEVXXGD-QHAWAJNXSA-N 1 2 345.446 2.361 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001054040999 1247200861 /nfs/dbraw/zinc/20/08/61/1247200861.db2.gz COBXYSHDEVXXGD-QHAWAJNXSA-N 1 2 345.446 2.361 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cn2c(n1)CCCC2 ZINC001054042767 1247206032 /nfs/dbraw/zinc/20/60/32/1247206032.db2.gz HEZYDQVNEPXVLQ-SFHVURJKSA-N 1 2 348.450 2.009 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cn2c(n1)CCCC2 ZINC001054042767 1247206043 /nfs/dbraw/zinc/20/60/43/1247206043.db2.gz HEZYDQVNEPXVLQ-SFHVURJKSA-N 1 2 348.450 2.009 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1c[nH]nc1CC ZINC001054045558 1247220557 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C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3Cc4ccccc4O3)cc2C1 ZINC001054273079 1247971215 /nfs/dbraw/zinc/97/12/15/1247971215.db2.gz SFJKZRRJPMHSKU-HXUWFJFHSA-N 1 2 332.403 2.255 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3Cc4ccccc4O3)cc2C1 ZINC001054273079 1247971221 /nfs/dbraw/zinc/97/12/21/1247971221.db2.gz SFJKZRRJPMHSKU-HXUWFJFHSA-N 1 2 332.403 2.255 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cnc(C4CC4)nc3)cc2C1 ZINC001054285177 1248006975 /nfs/dbraw/zinc/00/69/75/1248006975.db2.gz WAHURKWUBNNDCQ-UHFFFAOYSA-N 1 2 332.407 2.233 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cnc(C4CC4)nc3)cc2C1 ZINC001054285177 1248006980 /nfs/dbraw/zinc/00/69/80/1248006980.db2.gz WAHURKWUBNNDCQ-UHFFFAOYSA-N 1 2 332.407 2.233 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1C[C@@H](Nc2cc[nH+]c(C)n2)C[C@H]1C ZINC001069128907 1252310284 /nfs/dbraw/zinc/31/02/84/1252310284.db2.gz ASUBOZPDVVFFHI-KDOFPFPSSA-N 1 2 334.423 2.410 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1C[C@@H](Nc2cc[nH+]c(C)n2)C[C@@H]1C ZINC001069128908 1252310427 /nfs/dbraw/zinc/31/04/27/1252310427.db2.gz ASUBOZPDVVFFHI-KSSFIOAISA-N 1 2 334.423 2.410 20 30 EEEDLO C[C@H]1C[C@H](Nc2cccc(F)c2C#N)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001069137434 1252330220 /nfs/dbraw/zinc/33/02/20/1252330220.db2.gz JFGSTEXQVDEBGP-RYUDHWBXSA-N 1 2 327.363 2.064 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CCC)C[C@H](C)O2 ZINC001071123588 1253968292 /nfs/dbraw/zinc/96/82/92/1253968292.db2.gz AXTINFONJXCSMZ-DZGCQCFKSA-N 1 2 345.281 2.387 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCC)C[C@H](C)O2 ZINC001071123588 1253968296 /nfs/dbraw/zinc/96/82/96/1253968296.db2.gz AXTINFONJXCSMZ-DZGCQCFKSA-N 1 2 345.281 2.387 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2csnn2)C[N@@H+]1CC#Cc1ccccc1 ZINC001071711567 1254543364 /nfs/dbraw/zinc/54/33/64/1254543364.db2.gz AKAGEJBQQYAAPB-GDBMZVCRSA-N 1 2 340.452 2.173 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2csnn2)C[N@H+]1CC#Cc1ccccc1 ZINC001071711567 1254543372 /nfs/dbraw/zinc/54/33/72/1254543372.db2.gz AKAGEJBQQYAAPB-GDBMZVCRSA-N 1 2 340.452 2.173 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1315264858 /nfs/dbraw/zinc/26/48/58/1315264858.db2.gz JEMIELKKDFLZJR-PKOBYXMFSA-N 1 2 327.428 2.364 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)CC(F)(F)C(F)F)C1 ZINC001150331455 1316236699 /nfs/dbraw/zinc/23/66/99/1316236699.db2.gz CDJPNMRYLBJWRK-JTQLQIEISA-N 1 2 346.752 2.237 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)CC(F)(F)C(F)F)C1 ZINC001150331455 1316236703 /nfs/dbraw/zinc/23/67/03/1316236703.db2.gz CDJPNMRYLBJWRK-JTQLQIEISA-N 1 2 346.752 2.237 20 30 EEEDLO COCCC1(NC(=O)C#CC(C)C)CC[NH+](Cc2coc(C)n2)CC1 ZINC001151114723 1316452255 /nfs/dbraw/zinc/45/22/55/1316452255.db2.gz FUBWGXDJGRKWRJ-UHFFFAOYSA-N 1 2 347.459 2.130 20 30 EEEDLO C=C[C@H](C(=O)NCC[NH2+]Cc1nc(C2CC2)no1)c1ccccc1 ZINC001151990515 1316617283 /nfs/dbraw/zinc/61/72/83/1316617283.db2.gz IGSYEFWOPDYHNT-HNNXBMFYSA-N 1 2 326.400 2.123 20 30 EEEDLO C=C[C@@H](C(=O)NCC[NH2+]Cc1nc(C2CC2)no1)c1ccccc1 ZINC001151990516 1316617387 /nfs/dbraw/zinc/61/73/87/1316617387.db2.gz IGSYEFWOPDYHNT-OAHLLOKOSA-N 1 2 326.400 2.123 20 30 EEEDLO CC[N@H+](Cc1nc(-c2ccccc2)no1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152414098 1316668807 /nfs/dbraw/zinc/66/88/07/1316668807.db2.gz WDCZGIFKDDJWQM-UONOGXRCSA-N 1 2 341.415 2.223 20 30 EEEDLO CC[N@@H+](Cc1nc(-c2ccccc2)no1)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001152414098 1316668809 /nfs/dbraw/zinc/66/88/09/1316668809.db2.gz WDCZGIFKDDJWQM-UONOGXRCSA-N 1 2 341.415 2.223 20 30 EEEDLO C#CCOCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C(C)C)o1 ZINC001153306790 1316807919 /nfs/dbraw/zinc/80/79/19/1316807919.db2.gz SHQJRWOZJQLLKC-OAHLLOKOSA-N 1 2 335.448 2.165 20 30 EEEDLO C#CCOCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C(C)C)o1 ZINC001153306790 1316807922 /nfs/dbraw/zinc/80/79/22/1316807922.db2.gz SHQJRWOZJQLLKC-OAHLLOKOSA-N 1 2 335.448 2.165 20 30 EEEDLO C#CC[C@H](CC(=O)NCC[NH2+][C@H](C)c1nc(C)no1)c1ccccc1 ZINC001153699695 1316865871 /nfs/dbraw/zinc/86/58/71/1316865871.db2.gz IPLIQTZHNMIOPD-RHSMWYFYSA-N 1 2 340.427 2.342 20 30 EEEDLO C#CC[C@@H](CC(=O)NCC[NH2+]Cc1ncc(C)o1)c1ccccc1 ZINC001153714568 1316868045 /nfs/dbraw/zinc/86/80/45/1316868045.db2.gz QLOAJCIUTXFGFK-KRWDZBQOSA-N 1 2 325.412 2.386 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](OC)C(C)C ZINC001155017198 1317421845 /nfs/dbraw/zinc/42/18/45/1317421845.db2.gz RKHFWZIWFKTZSM-OLZOCXBDSA-N 1 2 335.286 2.393 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](OC)C(C)C ZINC001155017198 1317421847 /nfs/dbraw/zinc/42/18/47/1317421847.db2.gz RKHFWZIWFKTZSM-OLZOCXBDSA-N 1 2 335.286 2.393 20 30 EEEDLO C=CCOC[C@H](O)C[NH2+][C@H](C(=O)OC(C)(C)C)C1CCCCC1 ZINC001252485242 1317614279 /nfs/dbraw/zinc/61/42/79/1317614279.db2.gz CALYRNBLQKTUSV-CVEARBPZSA-N 1 2 327.465 2.430 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)Cc1cscn1 ZINC001155661939 1317693842 /nfs/dbraw/zinc/69/38/42/1317693842.db2.gz KSPMUUNJZYKFRT-LLVKDONJSA-N 1 2 346.294 2.421 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)Cc1cscn1 ZINC001155661939 1317693852 /nfs/dbraw/zinc/69/38/52/1317693852.db2.gz KSPMUUNJZYKFRT-LLVKDONJSA-N 1 2 346.294 2.421 20 30 EEEDLO C=CCOC(=O)N1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254610135 1318143654 /nfs/dbraw/zinc/14/36/54/1318143654.db2.gz IIZVAUPKIPERFS-MRXNPFEDSA-N 1 2 331.372 2.002 20 30 EEEDLO COc1cc(C(F)(F)NC2C[NH+](C(C)C)C2)c(C#N)c(Cl)n1 ZINC001157531456 1318697507 /nfs/dbraw/zinc/69/75/07/1318697507.db2.gz KSBNUKGDKKAUNJ-UHFFFAOYSA-N 1 2 330.766 2.347 20 30 EEEDLO CCOC(=O)C1(C(=O)OCC)CCC([NH2+]C2(C#N)CCCC2)CC1 ZINC001256993681 1318912940 /nfs/dbraw/zinc/91/29/40/1318912940.db2.gz IIANXPDXOSWPJJ-UHFFFAOYSA-N 1 2 336.432 2.468 20 30 EEEDLO C=C1C[C@@H]2CC([N@@H+]3CCn4nc(C(=O)OCC)nc4C3)C[C@H](C1)C2 ZINC001257892225 1319099621 /nfs/dbraw/zinc/09/96/21/1319099621.db2.gz VZYIMKKOJDWGGN-YIONKMFJSA-N 1 2 330.432 2.405 20 30 EEEDLO C=C1C[C@@H]2CC([N@H+]3CCn4nc(C(=O)OCC)nc4C3)C[C@H](C1)C2 ZINC001257892225 1319099629 /nfs/dbraw/zinc/09/96/29/1319099629.db2.gz VZYIMKKOJDWGGN-YIONKMFJSA-N 1 2 330.432 2.405 20 30 EEEDLO Cc1cnc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)c(C#N)c1 ZINC001159144993 1319639130 /nfs/dbraw/zinc/63/91/30/1319639130.db2.gz YVIDICZBXAUCEF-UHFFFAOYSA-N 1 2 336.399 2.130 20 30 EEEDLO C=C(C)[C@H](CC(=O)NCCC[NH2+]Cc1nnsc1Cl)OCC ZINC001159149109 1319640730 /nfs/dbraw/zinc/64/07/30/1319640730.db2.gz UBCOSLHHWGJNSF-LBPRGKRZSA-N 1 2 346.884 2.159 20 30 EEEDLO N#Cc1ccc(CS(=O)(=O)NCc2c[nH+]cn2CC2CCC2)cc1 ZINC001260048711 1319785041 /nfs/dbraw/zinc/78/50/41/1319785041.db2.gz UWQFSQXXMDCGTI-UHFFFAOYSA-N 1 2 344.440 2.174 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnnn2C)CC1 ZINC001161116558 1320390875 /nfs/dbraw/zinc/39/08/75/1320390875.db2.gz LZYZMNPCDCTXCW-KBXCAEBGSA-N 1 2 346.479 2.012 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnnn2C)CC1 ZINC001161116558 1320390880 /nfs/dbraw/zinc/39/08/80/1320390880.db2.gz LZYZMNPCDCTXCW-KBXCAEBGSA-N 1 2 346.479 2.012 20 30 EEEDLO N#CCc1ccc(OCc2ccc(N3CC[NH2+]C[C@H]3C#N)nc2)cc1 ZINC001164662347 1321443700 /nfs/dbraw/zinc/44/37/00/1321443700.db2.gz WQWMVRHNPZCHAN-QGZVFWFLSA-N 1 2 333.395 2.028 20 30 EEEDLO C=CCOCc1nn(C)c2c1CN(c1[nH+]cc(C)cc1OC)CC2 ZINC001165790060 1321586743 /nfs/dbraw/zinc/58/67/43/1321586743.db2.gz PIWAFQQGUNMGJL-UHFFFAOYSA-N 1 2 328.416 2.397 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H](OCC)C1 ZINC001262952191 1322404071 /nfs/dbraw/zinc/40/40/71/1322404071.db2.gz LXVKQTCJOQESHV-INIZCTEOSA-N 1 2 333.480 2.455 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3cc4ccsc4[nH]3)n2CC)CC1 ZINC001263046681 1322426889 /nfs/dbraw/zinc/42/68/89/1322426889.db2.gz PWFSUFODNLXLFY-UHFFFAOYSA-N 1 2 340.456 2.263 20 30 EEEDLO CCO[C@H](CC)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206379367 1323475689 /nfs/dbraw/zinc/47/56/89/1323475689.db2.gz UEWMLDYGBKOKPV-FSPWUOQZSA-N 1 2 347.434 2.449 20 30 EEEDLO CCO[C@H](CC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206379367 1323475694 /nfs/dbraw/zinc/47/56/94/1323475694.db2.gz UEWMLDYGBKOKPV-FSPWUOQZSA-N 1 2 347.434 2.449 20 30 EEEDLO CC[C@@H](OC)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206447702 1323496209 /nfs/dbraw/zinc/49/62/09/1323496209.db2.gz HXTZFHGGBSVLRA-CSMYWGQOSA-N 1 2 333.407 2.059 20 30 EEEDLO CC[C@@H](OC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206447702 1323496214 /nfs/dbraw/zinc/49/62/14/1323496214.db2.gz HXTZFHGGBSVLRA-CSMYWGQOSA-N 1 2 333.407 2.059 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2ccnc3[nH]ccc32)cc1C#N ZINC001279116461 1323834491 /nfs/dbraw/zinc/83/44/91/1323834491.db2.gz PTTUCJIPOXVBEE-HDICACEKSA-N 1 2 346.438 2.232 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2ccnc3[nH]ccc32)cc1C#N ZINC001279116461 1323834496 /nfs/dbraw/zinc/83/44/96/1323834496.db2.gz PTTUCJIPOXVBEE-HDICACEKSA-N 1 2 346.438 2.232 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CN(C)C(=O)CCCC(C)C)C1=O ZINC001316604203 1324291755 /nfs/dbraw/zinc/29/17/55/1324291755.db2.gz LETHBTNZHNYZKF-IRXDYDNUSA-N 1 2 335.492 2.132 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CN(C)C(=O)CCCC(C)C)C1=O ZINC001316604203 1324291763 /nfs/dbraw/zinc/29/17/63/1324291763.db2.gz LETHBTNZHNYZKF-IRXDYDNUSA-N 1 2 335.492 2.132 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001209334337 1324904729 /nfs/dbraw/zinc/90/47/29/1324904729.db2.gz CHTKDXHTASOHAG-LLVKDONJSA-N 1 2 328.363 2.444 20 30 EEEDLO C[C@@](CO)([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC001307810528 1331550454 /nfs/dbraw/zinc/55/04/54/1331550454.db2.gz LIHJWOCOBOKRGC-KRWDZBQOSA-N 1 2 327.340 2.169 20 30 EEEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC001325100606 1333828321 /nfs/dbraw/zinc/82/83/21/1333828321.db2.gz SAUADAMIMXNBCN-OAHLLOKOSA-N 1 2 345.443 2.233 20 30 EEEDLO C#CCOCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC001325995732 1334012560 /nfs/dbraw/zinc/01/25/60/1334012560.db2.gz UIHSZAIOPBMWQE-UHFFFAOYSA-N 1 2 327.178 2.439 20 30 EEEDLO C#CCOCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC001325995732 1334012561 /nfs/dbraw/zinc/01/25/61/1334012561.db2.gz UIHSZAIOPBMWQE-UHFFFAOYSA-N 1 2 327.178 2.439 20 30 EEEDLO C#CC1CCN(c2nnc([C@@H]3C[N@H+](C(C)C)CCO3)n2CC=C)CC1 ZINC001340204837 1337136903 /nfs/dbraw/zinc/13/69/03/1337136903.db2.gz HEUWLAOPDCSCGF-KRWDZBQOSA-N 1 2 343.475 2.095 20 30 EEEDLO C#CC1CCN(c2nnc([C@@H]3C[N@@H+](C(C)C)CCO3)n2CC=C)CC1 ZINC001340204837 1337136904 /nfs/dbraw/zinc/13/69/04/1337136904.db2.gz HEUWLAOPDCSCGF-KRWDZBQOSA-N 1 2 343.475 2.095 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@H]1CC ZINC001340342063 1337163994 /nfs/dbraw/zinc/16/39/94/1337163994.db2.gz DWHWVFSXSJASMS-MRXNPFEDSA-N 1 2 333.480 2.047 20 30 EEEDLO C=CCn1c([C@H]2C[C@@H]2C)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001340420102 1337180102 /nfs/dbraw/zinc/18/01/02/1337180102.db2.gz KVTZEDDRQQJJKR-RDJZCZTQSA-N 1 2 338.459 2.305 20 30 EEEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1nc2ccc(OCC)cc2s1 ZINC001341257389 1337288178 /nfs/dbraw/zinc/28/81/78/1337288178.db2.gz VGSPYXWHWHOGTE-UHFFFAOYSA-N 1 2 347.440 2.215 20 30 EEEDLO C#CCOCC[N@H+](C)CC(=O)Nc1nc2ccc(OCC)cc2s1 ZINC001341257389 1337288182 /nfs/dbraw/zinc/28/81/82/1337288182.db2.gz VGSPYXWHWHOGTE-UHFFFAOYSA-N 1 2 347.440 2.215 20 30 EEEDLO Cn1ccc(NN=C2CC3(CC[NH+](C)CC3)Oc3ccccc32)n1 ZINC001343529479 1337335763 /nfs/dbraw/zinc/33/57/63/1337335763.db2.gz LBVSYKNUUMZERG-UHFFFAOYSA-N 1 2 325.416 2.483 20 30 EEEDLO C=CCC1(O)CCN(c2nnc([C@H]3CCC[N@H+]3C)n2CC2CC2)CC1 ZINC001346601918 1337487622 /nfs/dbraw/zinc/48/76/22/1337487622.db2.gz JDXYEEKERBVOGB-MRXNPFEDSA-N 1 2 345.491 2.362 20 30 EEEDLO C=CCC1(O)CCN(c2nnc([C@H]3CCC[N@@H+]3C)n2CC2CC2)CC1 ZINC001346601918 1337487623 /nfs/dbraw/zinc/48/76/23/1337487623.db2.gz JDXYEEKERBVOGB-MRXNPFEDSA-N 1 2 345.491 2.362 20 30 EEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC001347372858 1337506537 /nfs/dbraw/zinc/50/65/37/1337506537.db2.gz JMBUIPOHGCIOEQ-IEBWSBKVSA-N 1 2 344.503 2.109 20 30 EEEDLO C=CCCOCC(=O)NCCN(CC)c1nc(C)[nH+]c2c1CCCC2 ZINC001100552192 1338497734 /nfs/dbraw/zinc/49/77/34/1338497734.db2.gz LRRCRKMUVHQQHO-UHFFFAOYSA-N 1 2 346.475 2.199 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CC[C@H](CF)C1 ZINC001355877275 1338762429 /nfs/dbraw/zinc/76/24/29/1338762429.db2.gz SQZHOQNUYGEZHY-PMPSAXMXSA-N 1 2 349.454 2.186 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CC[C@H](CF)C1 ZINC001355877275 1338762430 /nfs/dbraw/zinc/76/24/30/1338762430.db2.gz SQZHOQNUYGEZHY-PMPSAXMXSA-N 1 2 349.454 2.186 20 30 EEEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000848797036 1338766778 /nfs/dbraw/zinc/76/67/78/1338766778.db2.gz JQDIPQOJZLIDHV-JCGIZDLHSA-N 1 2 328.412 2.143 20 30 EEEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000848797036 1338766782 /nfs/dbraw/zinc/76/67/82/1338766782.db2.gz JQDIPQOJZLIDHV-JCGIZDLHSA-N 1 2 328.412 2.143 20 30 EEEDLO CCc1ccc([C@H]2CN(S(=O)(=O)c3ccc(C#N)o3)CC[NH2+]2)cc1 ZINC001434673944 1341905828 /nfs/dbraw/zinc/90/58/28/1341905828.db2.gz JCRMZWLFXHSHIK-MRXNPFEDSA-N 1 2 345.424 2.049 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](Cc3cnn[nH]3)C2)C1 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C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccc3ncccc32)C1 ZINC001035468881 784593413 /nfs/dbraw/zinc/59/34/13/784593413.db2.gz HRLJXOBFGDFSHD-OAHLLOKOSA-N 1 2 325.412 2.242 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-c3ccco3)s2)C1 ZINC001035561368 784735133 /nfs/dbraw/zinc/73/51/33/784735133.db2.gz CNTANOOIWOHKEC-CQSZACIVSA-N 1 2 344.436 2.462 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccc(-c3ccco3)s2)C1 ZINC001035561368 784735138 /nfs/dbraw/zinc/73/51/38/784735138.db2.gz CNTANOOIWOHKEC-CQSZACIVSA-N 1 2 344.436 2.462 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC001035609621 784845572 /nfs/dbraw/zinc/84/55/72/784845572.db2.gz IYOZQPDQYLHMHI-PKOBYXMFSA-N 1 2 344.455 2.000 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC001035609621 784845578 /nfs/dbraw/zinc/84/55/78/784845578.db2.gz IYOZQPDQYLHMHI-PKOBYXMFSA-N 1 2 344.455 2.000 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC001035609618 784845825 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2.130 20 30 EEEDLO C#C[C@@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000820560414 785973314 /nfs/dbraw/zinc/97/33/14/785973314.db2.gz UUGGANQSJNCZJF-WMLDXEAASA-N 1 2 349.862 2.376 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCc1cn(C2C[NH+](CC=C(C)C)C2)nn1 ZINC001107208124 786403725 /nfs/dbraw/zinc/40/37/25/786403725.db2.gz QTBHTGPEYRDTGF-SFHVURJKSA-N 1 2 331.464 2.320 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](C)CC(C)(C)C)nn2)C1 ZINC001107216212 786457439 /nfs/dbraw/zinc/45/74/39/786457439.db2.gz YLMLBSKWCMTCQC-CQSZACIVSA-N 1 2 333.480 2.399 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)nn2)C1 ZINC001107218634 786473951 /nfs/dbraw/zinc/47/39/51/786473951.db2.gz HPQMBZIEZHZZMG-UONOGXRCSA-N 1 2 333.480 2.255 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)sc3C)C[C@H]2O)C1 ZINC001090555107 786893984 /nfs/dbraw/zinc/89/39/84/786893984.db2.gz HDZRYFUHWJGRIP-GOEBONIOSA-N 1 2 349.500 2.168 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)sc3C)C[C@H]2O)C1 ZINC001090555107 786893996 /nfs/dbraw/zinc/89/39/96/786893996.db2.gz HDZRYFUHWJGRIP-GOEBONIOSA-N 1 2 349.500 2.168 20 30 EEEDLO N#Cc1cc(O)cc(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000910781727 787042962 /nfs/dbraw/zinc/04/29/62/787042962.db2.gz UBKBSDAYSULJLF-UHFFFAOYSA-N 1 2 333.391 2.364 20 30 EEEDLO N#Cc1cc(O)cc(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)c1 ZINC000910781727 787042972 /nfs/dbraw/zinc/04/29/72/787042972.db2.gz UBKBSDAYSULJLF-UHFFFAOYSA-N 1 2 333.391 2.364 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)c(F)c2F)[C@H](O)C1 ZINC001090582986 787079045 /nfs/dbraw/zinc/07/90/45/787079045.db2.gz IPIJEXOQBASTME-QWHCGFSZSA-N 1 2 344.789 2.191 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c(F)c2F)[C@H](O)C1 ZINC001090582986 787079055 /nfs/dbraw/zinc/07/90/55/787079055.db2.gz IPIJEXOQBASTME-QWHCGFSZSA-N 1 2 344.789 2.191 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(F)c2Cl)[C@H](O)C1 ZINC001090588780 787107597 /nfs/dbraw/zinc/10/75/97/787107597.db2.gz 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C=C(C)CCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001062244812 787689915 /nfs/dbraw/zinc/68/99/15/787689915.db2.gz WXQFEEOTQBWEHZ-DOTOQJQBSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001062244812 787689919 /nfs/dbraw/zinc/68/99/19/787689919.db2.gz WXQFEEOTQBWEHZ-DOTOQJQBSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3ccncc32)[C@H](O)C1 ZINC001090692867 787796681 /nfs/dbraw/zinc/79/66/81/787796681.db2.gz OVLOOJJFHPOKNH-DLBZAZTESA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3ccncc32)[C@H](O)C1 ZINC001090692867 787796685 /nfs/dbraw/zinc/79/66/85/787796685.db2.gz OVLOOJJFHPOKNH-DLBZAZTESA-N 1 2 345.830 2.152 20 30 EEEDLO CC1(C)CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001077640378 787932754 /nfs/dbraw/zinc/93/27/54/787932754.db2.gz AQTGATLGVCXBPD-APHBMKBZSA-N 1 2 347.484 2.107 20 30 EEEDLO CC1(C)CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001077640378 787932759 /nfs/dbraw/zinc/93/27/59/787932759.db2.gz AQTGATLGVCXBPD-APHBMKBZSA-N 1 2 347.484 2.107 20 30 EEEDLO C[C@]1(CNC(=O)C2CCCC2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107680116 788040058 /nfs/dbraw/zinc/04/00/58/788040058.db2.gz OZPFERYWQNINPV-FQEVSTJZSA-N 1 2 341.455 2.456 20 30 EEEDLO C[C@]1(CNC(=O)C2CCCC2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107680116 788040062 /nfs/dbraw/zinc/04/00/62/788040062.db2.gz OZPFERYWQNINPV-FQEVSTJZSA-N 1 2 341.455 2.456 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CCCCO2)s1 ZINC001032351230 788103156 /nfs/dbraw/zinc/10/31/56/788103156.db2.gz XHCPOXPUPXTLMZ-SOUVJXGZSA-N 1 2 345.468 2.364 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CCCCO2)s1 ZINC001032351230 788103159 /nfs/dbraw/zinc/10/31/59/788103159.db2.gz XHCPOXPUPXTLMZ-SOUVJXGZSA-N 1 2 345.468 2.364 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2sc(C)cc2C)[C@H](O)C1 ZINC001090766693 788147442 /nfs/dbraw/zinc/14/74/42/788147442.db2.gz FUDONTRULMNJIX-ZIAGYGMSSA-N 1 2 342.892 2.211 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2sc(C)cc2C)[C@H](O)C1 ZINC001090766693 788147449 /nfs/dbraw/zinc/14/74/49/788147449.db2.gz FUDONTRULMNJIX-ZIAGYGMSSA-N 1 2 342.892 2.211 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2OCC)[C@H](O)C1 ZINC001090772525 788186758 /nfs/dbraw/zinc/18/67/58/788186758.db2.gz YXRQYSMOYFVGHR-LSDHHAIUSA-N 1 2 338.835 2.003 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2OCC)[C@H](O)C1 ZINC001090772525 788186761 /nfs/dbraw/zinc/18/67/61/788186761.db2.gz YXRQYSMOYFVGHR-LSDHHAIUSA-N 1 2 338.835 2.003 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(Cl)cc2OC)C1 ZINC001108167079 788490135 /nfs/dbraw/zinc/49/01/35/788490135.db2.gz JIKJMRMWAPUZCD-KRWDZBQOSA-N 1 2 338.835 2.355 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(Cl)cc2OC)C1 ZINC001108167079 788490139 /nfs/dbraw/zinc/49/01/39/788490139.db2.gz JIKJMRMWAPUZCD-KRWDZBQOSA-N 1 2 338.835 2.355 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H](N(C)C(=O)CCc2c[nH+]cn2C)CC1 ZINC001079023297 788497716 /nfs/dbraw/zinc/49/77/16/788497716.db2.gz KTNGXQDMRGPJSK-MRXNPFEDSA-N 1 2 346.475 2.158 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001108168767 788615767 /nfs/dbraw/zinc/61/57/67/788615767.db2.gz DRBQJCGHASAZED-LJQANCHMSA-N 1 2 343.427 2.183 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001108168767 788615772 /nfs/dbraw/zinc/61/57/72/788615772.db2.gz DRBQJCGHASAZED-LJQANCHMSA-N 1 2 343.427 2.183 20 30 EEEDLO C=CC[N@H+]1C[C@H](NC(=O)C(F)C(F)(F)F)CC2(CCOCC2)C1 ZINC001099581095 788619156 /nfs/dbraw/zinc/61/91/56/788619156.db2.gz KMGPAOREJAJXLK-NEPJUHHUSA-N 1 2 338.345 2.060 20 30 EEEDLO C=CC[N@@H+]1C[C@H](NC(=O)C(F)C(F)(F)F)CC2(CCOCC2)C1 ZINC001099581095 788619158 /nfs/dbraw/zinc/61/91/58/788619158.db2.gz KMGPAOREJAJXLK-NEPJUHHUSA-N 1 2 338.345 2.060 20 30 EEEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC001143724057 788798679 /nfs/dbraw/zinc/79/86/79/788798679.db2.gz VHCKHLKEOALHJV-UHFFFAOYSA-N 1 2 347.846 2.282 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C2CCCCC2)n1 ZINC001032404304 789178936 /nfs/dbraw/zinc/17/89/36/789178936.db2.gz XDRKEAHMACRRHZ-IRXDYDNUSA-N 1 2 326.444 2.310 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C2CCCCC2)n1 ZINC001032404304 789178942 /nfs/dbraw/zinc/17/89/42/789178942.db2.gz XDRKEAHMACRRHZ-IRXDYDNUSA-N 1 2 326.444 2.310 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H](OCC)C2=CCCC2)C1 ZINC001107943407 789601277 /nfs/dbraw/zinc/60/12/77/789601277.db2.gz ARJDTRACPHHHDR-IEBWSBKVSA-N 1 2 336.476 2.285 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H](OCC)C2=CCCC2)C1 ZINC001107943407 789601282 /nfs/dbraw/zinc/60/12/82/789601282.db2.gz ARJDTRACPHHHDR-IEBWSBKVSA-N 1 2 336.476 2.285 20 30 EEEDLO C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001107945206 789670340 /nfs/dbraw/zinc/67/03/40/789670340.db2.gz AZELZRSODGUPIC-KXBFYZLASA-N 1 2 346.475 2.003 20 30 EEEDLO C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001107945206 789670344 /nfs/dbraw/zinc/67/03/44/789670344.db2.gz AZELZRSODGUPIC-KXBFYZLASA-N 1 2 346.475 2.003 20 30 EEEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C[C@@H](C)CCC)CC2 ZINC001127958665 789780429 /nfs/dbraw/zinc/78/04/29/789780429.db2.gz IMDSEOYBLBHIEM-JKSUJKDBSA-N 1 2 345.491 2.038 20 30 EEEDLO C=CCOCCCC(=O)N1CC[C@@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001111600357 789915345 /nfs/dbraw/zinc/91/53/45/789915345.db2.gz PQQDZSAUXILWGV-MRXNPFEDSA-N 1 2 332.448 2.418 20 30 EEEDLO Cc1nc(NC[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)ccc1C#N ZINC001060313235 789975231 /nfs/dbraw/zinc/97/52/31/789975231.db2.gz RMARHZIFFXDYGZ-INIZCTEOSA-N 1 2 338.415 2.021 20 30 EEEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2cc[nH]c(=O)c2s1 ZINC001032487336 790117161 /nfs/dbraw/zinc/11/71/61/790117161.db2.gz NFGOJFJNWIUZKZ-STQMWFEESA-N 1 2 329.425 2.064 20 30 EEEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2cc[nH]c(=O)c2s1 ZINC001032487336 790117166 /nfs/dbraw/zinc/11/71/66/790117166.db2.gz NFGOJFJNWIUZKZ-STQMWFEESA-N 1 2 329.425 2.064 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)c1 ZINC001063028211 790124130 /nfs/dbraw/zinc/12/41/30/790124130.db2.gz HWCWVZJXGLVKPU-GOSISDBHSA-N 1 2 349.438 2.129 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060864103 790158363 /nfs/dbraw/zinc/15/83/63/790158363.db2.gz BNONQWAPFIPXDJ-DOXZYTNZSA-N 1 2 346.475 2.346 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@H](C)Cc1cccc(C#N)c1 ZINC001171224978 790159660 /nfs/dbraw/zinc/15/96/60/790159660.db2.gz WISKFOUFMBLNKS-PILAGYSTSA-N 1 2 328.412 2.142 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@H+]2[C@H](C)Cc1cccc(C#N)c1 ZINC001171224978 790159666 /nfs/dbraw/zinc/15/96/66/790159666.db2.gz WISKFOUFMBLNKS-PILAGYSTSA-N 1 2 328.412 2.142 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccncc2)CC2(CCOCC2)C1 ZINC001089920151 790250282 /nfs/dbraw/zinc/25/02/82/790250282.db2.gz PQXXEMQQGVCBRP-INIZCTEOSA-N 1 2 349.862 2.435 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccncc2)CC2(CCOCC2)C1 ZINC001089920151 790250287 /nfs/dbraw/zinc/25/02/87/790250287.db2.gz PQXXEMQQGVCBRP-INIZCTEOSA-N 1 2 349.862 2.435 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NC1(CNC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001063511504 791191796 /nfs/dbraw/zinc/19/17/96/791191796.db2.gz QZXUOJDOUKPRNK-HOTGVXAUSA-N 1 2 346.475 2.277 20 30 EEEDLO C=CCCC(=O)NC1(CNC(=O)c2cccc3[nH+]ccn32)CCC1 ZINC001063621467 791426448 /nfs/dbraw/zinc/42/64/48/791426448.db2.gz QPNSELXULPNDAM-UHFFFAOYSA-N 1 2 326.400 2.069 20 30 EEEDLO Cc1nc(N[C@H](C)[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)cc[nH+]1 ZINC001063875239 791867303 /nfs/dbraw/zinc/86/73/03/791867303.db2.gz AVCYUEXFHFOGSH-OCCSQVGLSA-N 1 2 338.415 2.338 20 30 EEEDLO C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@H+](C/C(Cl)=C/Cl)C2 ZINC001091659921 791947980 /nfs/dbraw/zinc/94/79/80/791947980.db2.gz VMJWLAZWVGKMOU-RYDITDCPSA-N 1 2 327.255 2.499 20 30 EEEDLO C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001091659921 791947984 /nfs/dbraw/zinc/94/79/84/791947984.db2.gz VMJWLAZWVGKMOU-RYDITDCPSA-N 1 2 327.255 2.499 20 30 EEEDLO C=CC(C)(C)C(=O)NCC1(NC(=O)c2cccc3[nH+]ccn32)CCC1 ZINC001063923875 791953837 /nfs/dbraw/zinc/95/38/37/791953837.db2.gz TVCRYXRXMKBTJY-UHFFFAOYSA-N 1 2 340.427 2.315 20 30 EEEDLO Cc1nc(NC[C@H]2[C@H](C)CCCN2C(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001063931447 791981987 /nfs/dbraw/zinc/98/19/87/791981987.db2.gz HNHCDWOCALXJIR-WBMJQRKESA-N 1 2 338.415 2.338 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2Cc3cccc(F)c3O2)[C@H]1C ZINC001089050317 792009246 /nfs/dbraw/zinc/00/92/46/792009246.db2.gz BGHGXYGMBCCXIZ-UGFHNGPFSA-N 1 2 338.810 2.461 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2Cc3cccc(F)c3O2)[C@H]1C ZINC001089050317 792009257 /nfs/dbraw/zinc/00/92/57/792009257.db2.gz BGHGXYGMBCCXIZ-UGFHNGPFSA-N 1 2 338.810 2.461 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079092170 792031437 /nfs/dbraw/zinc/03/14/37/792031437.db2.gz ADHASPYXAPDCOR-INIZCTEOSA-N 1 2 346.475 2.394 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079093306 792074965 /nfs/dbraw/zinc/07/49/65/792074965.db2.gz PVOBIZWUEGIIMT-INIZCTEOSA-N 1 2 332.448 2.148 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nccc(C)n1)C2 ZINC001148147409 792186971 /nfs/dbraw/zinc/18/69/71/792186971.db2.gz RRLVEMLLRLVGMC-HNNXBMFYSA-N 1 2 328.460 2.422 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nccc(C)n1)C2 ZINC001148147409 792186974 /nfs/dbraw/zinc/18/69/74/792186974.db2.gz RRLVEMLLRLVGMC-HNNXBMFYSA-N 1 2 328.460 2.422 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nnc(C)[nH]1)C2 ZINC001148370798 792397917 /nfs/dbraw/zinc/39/79/17/792397917.db2.gz DLJZPGUQKKMWLX-CYBMUJFWSA-N 1 2 331.464 2.311 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nnc(C)[nH]1)C2 ZINC001148370798 792397925 /nfs/dbraw/zinc/39/79/25/792397925.db2.gz DLJZPGUQKKMWLX-CYBMUJFWSA-N 1 2 331.464 2.311 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(CC)CCC)C2 ZINC001109890316 806153108 /nfs/dbraw/zinc/15/31/08/806153108.db2.gz QXFQNOYURFTIIH-PASDCYSWSA-N 1 2 335.492 2.227 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(CC)CCC)C2 ZINC001109890316 806153113 /nfs/dbraw/zinc/15/31/13/806153113.db2.gz QXFQNOYURFTIIH-PASDCYSWSA-N 1 2 335.492 2.227 20 30 EEEDLO C#Cc1ccc(C(=O)NC2C[NH+](Cc3cccc(N(C)C)c3)C2)cc1 ZINC001030776801 792769617 /nfs/dbraw/zinc/76/96/17/792769617.db2.gz ZDOANNCNIXHMSW-UHFFFAOYSA-N 1 2 333.435 2.348 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@@H](CNc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001109906818 806197716 /nfs/dbraw/zinc/19/77/16/806197716.db2.gz IXCFJETXNGOHQJ-ZBFHGGJFSA-N 1 2 344.459 2.253 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(CC)o4)C[C@@]3(C)C2)C1 ZINC001091996415 793474771 /nfs/dbraw/zinc/47/47/71/793474771.db2.gz UHYJQMREHQFUDN-KUHUBIRLSA-N 1 2 344.459 2.269 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(CC)o4)C[C@@]3(C)C2)C1 ZINC001091996415 793474776 /nfs/dbraw/zinc/47/47/76/793474776.db2.gz UHYJQMREHQFUDN-KUHUBIRLSA-N 1 2 344.459 2.269 20 30 EEEDLO C=C1CCC(C(=O)NC2C[NH+](C[C@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC001030899341 793708467 /nfs/dbraw/zinc/70/84/67/793708467.db2.gz ACMROHDUZHBJPI-LJQANCHMSA-N 1 2 346.446 2.276 20 30 EEEDLO C[C@@H](CC(=O)NCC1CC(Nc2ccc(C#N)cn2)C1)n1cc[nH+]c1 ZINC001092268131 793735578 /nfs/dbraw/zinc/73/55/78/793735578.db2.gz JEJFAKUPFRFPQN-JEYLPNPQSA-N 1 2 338.415 2.108 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3c(o2)CCCC3)[C@@H](O)C1 ZINC001090320266 793868954 /nfs/dbraw/zinc/86/89/54/793868954.db2.gz VXYIIHUPTBFFCA-KGLIPLIRSA-N 1 2 338.835 2.076 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3c(o2)CCCC3)[C@@H](O)C1 ZINC001090320266 793868961 /nfs/dbraw/zinc/86/89/61/793868961.db2.gz VXYIIHUPTBFFCA-KGLIPLIRSA-N 1 2 338.835 2.076 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccc(C)cc1)c1nccn12 ZINC001092379944 793875209 /nfs/dbraw/zinc/87/52/09/793875209.db2.gz MDCTXKOWBVADLK-SFHVURJKSA-N 1 2 348.450 2.029 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccn(CC)c1C)c1nccn12 ZINC001092389675 793886071 /nfs/dbraw/zinc/88/60/71/793886071.db2.gz WKGGBVAABKQUGD-MRXNPFEDSA-N 1 2 339.443 2.085 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccncc1Cl)c1nccn12 ZINC001092397388 793897027 /nfs/dbraw/zinc/89/70/27/793897027.db2.gz VKPOKEYNXWUNCY-AWEZNQCLSA-N 1 2 343.818 2.003 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[C@H](C)CC1)c1nccn12 ZINC001092409078 793957913 /nfs/dbraw/zinc/95/79/13/793957913.db2.gz HOCPAQGBHVHMRF-JYJNAYRXSA-N 1 2 328.460 2.467 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)c3conc3COC)CCC[C@@H]12 ZINC000992413677 794012973 /nfs/dbraw/zinc/01/29/73/794012973.db2.gz JINXBGAFLBDPOC-ZBFHGGJFSA-N 1 2 339.823 2.300 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)c3conc3COC)CCC[C@@H]12 ZINC000992413677 794012979 /nfs/dbraw/zinc/01/29/79/794012979.db2.gz JINXBGAFLBDPOC-ZBFHGGJFSA-N 1 2 339.823 2.300 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001065006520 794077435 /nfs/dbraw/zinc/07/74/35/794077435.db2.gz IBFBOIGAYQOJMJ-AWEZNQCLSA-N 1 2 344.463 2.005 20 30 EEEDLO C#Cc1ccc(C(=O)NCC[C@@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C)cn1 ZINC001092536228 794111731 /nfs/dbraw/zinc/11/17/31/794111731.db2.gz STPPTTRRIOVGRK-RHSMWYFYSA-N 1 2 349.438 2.054 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(=O)N(CC)CC)C2 ZINC001110135324 794219876 /nfs/dbraw/zinc/21/98/76/794219876.db2.gz XBTZLAWQHRFBSW-ILXRZTDVSA-N 1 2 341.883 2.109 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(=O)N(CC)CC)C2 ZINC001110135324 794219882 /nfs/dbraw/zinc/21/98/82/794219882.db2.gz XBTZLAWQHRFBSW-ILXRZTDVSA-N 1 2 341.883 2.109 20 30 EEEDLO C=CCCCC(=O)N1C[C@@H](CNc2[nH+]cnc3c2cnn3C)[C@H](C)C1 ZINC001092673571 794220696 /nfs/dbraw/zinc/22/06/96/794220696.db2.gz MHOQLSYCCLOISN-ZIAGYGMSSA-N 1 2 342.447 2.226 20 30 EEEDLO C=CCCC(=O)NC[C@@]1(C)CN(c2cc(C)[nH+]c(CC)n2)CCO1 ZINC001092733243 794273555 /nfs/dbraw/zinc/27/35/55/794273555.db2.gz CKAFENNBXNRIES-SFHVURJKSA-N 1 2 332.448 2.025 20 30 EEEDLO Cc1[nH+]c(C(C)N=Nc2nc(Br)cn3ccnc23)cn1C ZINC000800813559 794297466 /nfs/dbraw/zinc/29/74/66/794297466.db2.gz ATUHTGMSGNBXBF-UHFFFAOYSA-N 1 2 348.208 2.370 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3csnn3)C[C@H]2C)cc1 ZINC001092874932 794406213 /nfs/dbraw/zinc/40/62/13/794406213.db2.gz GXHRMDYMSIOCLW-CZUORRHYSA-N 1 2 340.452 2.017 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3csnn3)C[C@H]2C)cc1 ZINC001092874932 794406223 /nfs/dbraw/zinc/40/62/23/794406223.db2.gz GXHRMDYMSIOCLW-CZUORRHYSA-N 1 2 340.452 2.017 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2noc(CC)n2)C1 ZINC001036792930 795046711 /nfs/dbraw/zinc/04/67/11/795046711.db2.gz WWAXTFQHTGKFTO-ZIAGYGMSSA-N 1 2 332.448 2.267 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2noc(CC)n2)C1 ZINC001036792930 795046718 /nfs/dbraw/zinc/04/67/18/795046718.db2.gz WWAXTFQHTGKFTO-ZIAGYGMSSA-N 1 2 332.448 2.267 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001107997303 795305008 /nfs/dbraw/zinc/30/50/08/795305008.db2.gz WFZLEGXVGRDZRO-YLJYHZDGSA-N 1 2 344.455 2.118 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001107997303 795305012 /nfs/dbraw/zinc/30/50/12/795305012.db2.gz WFZLEGXVGRDZRO-YLJYHZDGSA-N 1 2 344.455 2.118 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2F)nc1 ZINC001032737731 795329328 /nfs/dbraw/zinc/32/93/28/795329328.db2.gz CMKWDNFJCSVJIW-IRXDYDNUSA-N 1 2 335.382 2.301 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2F)nc1 ZINC001032737731 795329335 /nfs/dbraw/zinc/32/93/35/795329335.db2.gz CMKWDNFJCSVJIW-IRXDYDNUSA-N 1 2 335.382 2.301 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccnn2C(CC)CC)C1 ZINC001107999141 795359486 /nfs/dbraw/zinc/35/94/86/795359486.db2.gz YGLGWCSJYINCLO-SFHVURJKSA-N 1 2 334.464 2.251 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccnn2C(CC)CC)C1 ZINC001107999141 795359491 /nfs/dbraw/zinc/35/94/91/795359491.db2.gz YGLGWCSJYINCLO-SFHVURJKSA-N 1 2 334.464 2.251 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3cn(CC)nc3C)CC2)C1 ZINC001093579158 795389372 /nfs/dbraw/zinc/38/93/72/795389372.db2.gz NRTLEFGIOHHUPU-UHFFFAOYSA-N 1 2 346.475 2.093 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cncc(Cl)c3)CC2)C1 ZINC001093583992 795396103 /nfs/dbraw/zinc/39/61/03/795396103.db2.gz VNTCVZVTQBFKMQ-UHFFFAOYSA-N 1 2 335.835 2.226 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CC[C@H]3CCCOC3)CC2)C1 ZINC001093586894 795399581 /nfs/dbraw/zinc/39/95/81/795399581.db2.gz IYZIBWKOMNFQKM-MRXNPFEDSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccc(C)cc3OC)CC2)C1 ZINC001093594079 795407430 /nfs/dbraw/zinc/40/74/30/795407430.db2.gz URSHACYVFNRVJS-UHFFFAOYSA-N 1 2 344.455 2.495 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCN(C)c3ccccc32)C1 ZINC001108003631 795465406 /nfs/dbraw/zinc/46/54/06/795465406.db2.gz KRGMBRHGZPKDGG-YLJYHZDGSA-N 1 2 343.471 2.003 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCN(C)c3ccccc32)C1 ZINC001108003631 795465413 /nfs/dbraw/zinc/46/54/13/795465413.db2.gz KRGMBRHGZPKDGG-YLJYHZDGSA-N 1 2 343.471 2.003 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001080013968 795482520 /nfs/dbraw/zinc/48/25/20/795482520.db2.gz GWZWVOLAZQSXDL-NUEKZKHPSA-N 1 2 344.459 2.175 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001080013968 795482526 /nfs/dbraw/zinc/48/25/26/795482526.db2.gz GWZWVOLAZQSXDL-NUEKZKHPSA-N 1 2 344.459 2.175 20 30 EEEDLO C[C@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)CC1 ZINC001078033467 795771060 /nfs/dbraw/zinc/77/10/60/795771060.db2.gz LEHSQHJUFIQCCT-VBSBHUPXSA-N 1 2 340.467 2.026 20 30 EEEDLO C[C@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)CC1 ZINC001078033467 795771067 /nfs/dbraw/zinc/77/10/67/795771067.db2.gz LEHSQHJUFIQCCT-VBSBHUPXSA-N 1 2 340.467 2.026 20 30 EEEDLO CCn1cccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032784531 795772423 /nfs/dbraw/zinc/77/24/23/795772423.db2.gz ALSHCULALBVXRJ-ROUUACIJSA-N 1 2 334.423 2.479 20 30 EEEDLO CCn1cccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032784531 795772424 /nfs/dbraw/zinc/77/24/24/795772424.db2.gz ALSHCULALBVXRJ-ROUUACIJSA-N 1 2 334.423 2.479 20 30 EEEDLO C=C(Cl)CN1CCO[C@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001108028476 795901366 /nfs/dbraw/zinc/90/13/66/795901366.db2.gz GDYXWOIFKVKGNG-QGZVFWFLSA-N 1 2 348.834 2.136 20 30 EEEDLO CCc1nocc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080397513 795972874 /nfs/dbraw/zinc/97/28/74/795972874.db2.gz BYEZWOZICWPENL-FZKQIMNGSA-N 1 2 338.411 2.359 20 30 EEEDLO CCc1nocc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080397513 795972880 /nfs/dbraw/zinc/97/28/80/795972880.db2.gz BYEZWOZICWPENL-FZKQIMNGSA-N 1 2 338.411 2.359 20 30 EEEDLO C[C@@H](CCNc1cccc(F)c1C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC001106621096 795981394 /nfs/dbraw/zinc/98/13/94/795981394.db2.gz VSBRYRMSFCFOEQ-LBPRGKRZSA-N 1 2 329.379 2.360 20 30 EEEDLO C[C@@H](CCNc1cccc(F)c1C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC001106621096 795981400 /nfs/dbraw/zinc/98/14/00/795981400.db2.gz VSBRYRMSFCFOEQ-LBPRGKRZSA-N 1 2 329.379 2.360 20 30 EEEDLO C[C@H](C[C@@H](C)Nc1ncccc1C#N)NC(=O)CCCn1cc[nH+]c1 ZINC001089345788 796350985 /nfs/dbraw/zinc/35/09/85/796350985.db2.gz LOASEOWBWQZTAU-HUUCEWRRSA-N 1 2 340.431 2.325 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)CC[C@@H]21 ZINC001036891712 796386512 /nfs/dbraw/zinc/38/65/12/796386512.db2.gz OMVLPEGFVCRMHI-CJNGLKHVSA-N 1 2 345.834 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)CC[C@@H]21 ZINC001036891712 796386513 /nfs/dbraw/zinc/38/65/13/796386513.db2.gz OMVLPEGFVCRMHI-CJNGLKHVSA-N 1 2 345.834 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccnn2CC(F)F)[C@@H]1C ZINC000993327983 796390725 /nfs/dbraw/zinc/39/07/25/796390725.db2.gz MFZOSCFOBZUNQN-RYUDHWBXSA-N 1 2 346.809 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccnn2CC(F)F)[C@@H]1C ZINC000993327983 796390728 /nfs/dbraw/zinc/39/07/28/796390728.db2.gz MFZOSCFOBZUNQN-RYUDHWBXSA-N 1 2 346.809 2.483 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnc3[nH]cnc3c2)[C@@H]1C ZINC000993411873 796575362 /nfs/dbraw/zinc/57/53/62/796575362.db2.gz KYRCZZNFTBFMRV-AAEUAGOBSA-N 1 2 333.823 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnc3[nH]cnc3c2)[C@@H]1C ZINC000993411873 796575370 /nfs/dbraw/zinc/57/53/70/796575370.db2.gz KYRCZZNFTBFMRV-AAEUAGOBSA-N 1 2 333.823 2.293 20 30 EEEDLO C=CCCC(=O)N(CC)CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001081103122 796645010 /nfs/dbraw/zinc/64/50/10/796645010.db2.gz IKLNGVSPUVKWMU-UHFFFAOYSA-N 1 2 346.475 2.314 20 30 EEEDLO Cc1nsc(NCCCNC(=O)C[C@H](C)n2cc[nH+]c2)c1C#N ZINC001094824644 796646964 /nfs/dbraw/zinc/64/69/64/796646964.db2.gz QTSXWHBKSVUWBX-NSHDSACASA-N 1 2 332.433 2.089 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc3c([nH]2)CCOC3)[C@@H]1C ZINC000993435587 796675478 /nfs/dbraw/zinc/67/54/78/796675478.db2.gz WZDYSDZATRQGQM-GXTWGEPZSA-N 1 2 337.851 2.423 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc3c([nH]2)CCOC3)[C@@H]1C ZINC000993435587 796675483 /nfs/dbraw/zinc/67/54/83/796675483.db2.gz WZDYSDZATRQGQM-GXTWGEPZSA-N 1 2 337.851 2.423 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3nc[nH]c3n2)[C@H]1C ZINC000993493174 796773890 /nfs/dbraw/zinc/77/38/90/796773890.db2.gz REPMACYWIKQCJN-NEPJUHHUSA-N 1 2 333.823 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3nc[nH]c3n2)[C@H]1C ZINC000993493174 796773894 /nfs/dbraw/zinc/77/38/94/796773894.db2.gz REPMACYWIKQCJN-NEPJUHHUSA-N 1 2 333.823 2.293 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1coc(C)c1 ZINC001081588859 796811137 /nfs/dbraw/zinc/81/11/37/796811137.db2.gz POWVXIDOJYYUMY-HZPDHXFCSA-N 1 2 345.424 2.150 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1coc(C)c1 ZINC001081588859 796811142 /nfs/dbraw/zinc/81/11/42/796811142.db2.gz POWVXIDOJYYUMY-HZPDHXFCSA-N 1 2 345.424 2.150 20 30 EEEDLO C#CCC[N@H+]1CCC[C@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)[C@H]1C ZINC000993610810 796838290 /nfs/dbraw/zinc/83/82/90/796838290.db2.gz GNUVGKOBNSICFX-NEPJUHHUSA-N 1 2 342.365 2.343 20 30 EEEDLO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)[C@H]1C ZINC000993610810 796838293 /nfs/dbraw/zinc/83/82/93/796838293.db2.gz GNUVGKOBNSICFX-NEPJUHHUSA-N 1 2 342.365 2.343 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cnco2)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000993640497 796863858 /nfs/dbraw/zinc/86/38/58/796863858.db2.gz HFKKNVUXUZUPGY-WBMJQRKESA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cnco2)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000993640497 796863859 /nfs/dbraw/zinc/86/38/59/796863859.db2.gz HFKKNVUXUZUPGY-WBMJQRKESA-N 1 2 342.374 2.468 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccn(C)n3)[C@H]2C)cc1 ZINC000993672223 796899528 /nfs/dbraw/zinc/89/95/28/796899528.db2.gz PPFNKALXBLPPOF-KXBFYZLASA-N 1 2 336.439 2.184 20 30 EEEDLO 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/nfs/dbraw/zinc/07/61/15/797076115.db2.gz ZKMWYOCXTDJCCT-QWHCGFSZSA-N 1 2 339.871 2.368 20 30 EEEDLO C#CCCCC(=O)NCCCCCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001094947935 797087107 /nfs/dbraw/zinc/08/71/07/797087107.db2.gz KWTNCZFHMQYTRN-UHFFFAOYSA-N 1 2 346.479 2.138 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001061020800 797143653 /nfs/dbraw/zinc/14/36/53/797143653.db2.gz PFYKMSWTAYTPGT-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnc3cccnn32)[C@H]1C ZINC000993954727 797192703 /nfs/dbraw/zinc/19/27/03/797192703.db2.gz UXSOWVZRFSWGSG-OLZOCXBDSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnc3cccnn32)[C@H]1C ZINC000993954727 797192705 /nfs/dbraw/zinc/19/27/05/797192705.db2.gz UXSOWVZRFSWGSG-OLZOCXBDSA-N 1 2 333.823 2.065 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)no1 ZINC001095147260 797427132 /nfs/dbraw/zinc/42/71/32/797427132.db2.gz BFTKZHDOIXENSN-RYRKJORJSA-N 1 2 336.395 2.390 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)no1 ZINC001095147260 797427133 /nfs/dbraw/zinc/42/71/33/797427133.db2.gz BFTKZHDOIXENSN-RYRKJORJSA-N 1 2 336.395 2.390 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCO2)C3)cc1F ZINC001095150417 797430660 /nfs/dbraw/zinc/43/06/60/797430660.db2.gz YHDXRPVENXVPJS-LAVFITLUSA-N 1 2 343.402 2.098 20 30 EEEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCO2)C3)cc1F ZINC001095150417 797430663 /nfs/dbraw/zinc/43/06/63/797430663.db2.gz YHDXRPVENXVPJS-LAVFITLUSA-N 1 2 343.402 2.098 20 30 EEEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@H+](CC(=C)Cl)[C@H]1C ZINC000994237047 797438507 /nfs/dbraw/zinc/43/85/07/797438507.db2.gz DTYUTEFRTYALBP-HOCLYGCPSA-N 1 2 347.846 2.429 20 30 EEEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@@H+](CC(=C)Cl)[C@H]1C ZINC000994237047 797438513 /nfs/dbraw/zinc/43/85/13/797438513.db2.gz DTYUTEFRTYALBP-HOCLYGCPSA-N 1 2 347.846 2.429 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@H](N(C)c2[nH+]cnc3c2cnn3C)C1 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CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3coc4c3cccc4C)[C@H]2C1 ZINC001083106565 797873999 /nfs/dbraw/zinc/87/39/99/797873999.db2.gz KIDNXQWHIWDOCH-ZWKOTPCHSA-N 1 2 338.407 2.290 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3coc4c3cccc4C)[C@H]2C1 ZINC001083106565 797874009 /nfs/dbraw/zinc/87/40/09/797874009.db2.gz KIDNXQWHIWDOCH-ZWKOTPCHSA-N 1 2 338.407 2.290 20 30 EEEDLO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)on1 ZINC001002333260 797917690 /nfs/dbraw/zinc/91/76/90/797917690.db2.gz JDYPQKNJEWEODI-UHFFFAOYSA-N 1 2 342.374 2.388 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(CCC)cc3)[C@H]2C1 ZINC001083179163 797920572 /nfs/dbraw/zinc/92/05/72/797920572.db2.gz ITDVKZVFLRYDDG-RBUKOAKNSA-N 1 2 326.440 2.188 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(CCC)cc3)[C@H]2C1 ZINC001083179163 797920574 /nfs/dbraw/zinc/92/05/74/797920574.db2.gz ITDVKZVFLRYDDG-RBUKOAKNSA-N 1 2 326.440 2.188 20 30 EEEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)c1ccccc1 ZINC001083971395 797944393 /nfs/dbraw/zinc/94/43/93/797944393.db2.gz DQROMASWUFMMEH-UIFIKXQLSA-N 1 2 348.446 2.003 20 30 EEEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)c1ccccc1 ZINC001083971395 797944398 /nfs/dbraw/zinc/94/43/98/797944398.db2.gz DQROMASWUFMMEH-UIFIKXQLSA-N 1 2 348.446 2.003 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)C[C@H]2CCCO2)CC1 ZINC001002383057 797998770 /nfs/dbraw/zinc/99/87/70/797998770.db2.gz ADSTYLGCRMPCJM-CYBMUJFWSA-N 1 2 331.254 2.045 20 30 EEEDLO O=C(c1ccccn1)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084151195 798002094 /nfs/dbraw/zinc/00/20/94/798002094.db2.gz XQEJJVKVXYIFSV-YLJYHZDGSA-N 1 2 349.409 2.419 20 30 EEEDLO O=C(c1ccccn1)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084151195 798002097 /nfs/dbraw/zinc/00/20/97/798002097.db2.gz XQEJJVKVXYIFSV-YLJYHZDGSA-N 1 2 349.409 2.419 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccon4)[C@@H]3C2)ccc1F ZINC001084210444 798017742 /nfs/dbraw/zinc/01/77/42/798017742.db2.gz ONVVBLXBJPUEID-CXAGYDPISA-N 1 2 340.358 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ZINC001084458014 798210560 /nfs/dbraw/zinc/21/05/60/798210560.db2.gz RGKUPIOTLTZEOQ-GDBMZVCRSA-N 1 2 344.846 2.162 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn4ccccc4n3)[C@@H]2C1 ZINC001084458014 798210563 /nfs/dbraw/zinc/21/05/63/798210563.db2.gz RGKUPIOTLTZEOQ-GDBMZVCRSA-N 1 2 344.846 2.162 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2oc(C)nc2C)CC1 ZINC001002532023 798231224 /nfs/dbraw/zinc/23/12/24/798231224.db2.gz FTEREUJWPQZXSZ-UHFFFAOYSA-N 1 2 342.237 2.394 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H]2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001061107884 798297650 /nfs/dbraw/zinc/29/76/50/798297650.db2.gz QSVYJZCMJHTNRW-CABCVRRESA-N 1 2 338.415 2.067 20 30 EEEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@H]2CCCCO2)CC1 ZINC001002609013 798312620 /nfs/dbraw/zinc/31/26/20/798312620.db2.gz VZGRKZRDMLNWNU-GOSISDBHSA-N 1 2 345.418 2.347 20 30 EEEDLO CCc1nocc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084640997 798332989 /nfs/dbraw/zinc/33/29/89/798332989.db2.gz VWBWISIGISKZIP-YLJYHZDGSA-N 1 2 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333.480 2.481 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001520252138 1119140092 /nfs/dbraw/zinc/14/00/92/1119140092.db2.gz HXOXUOZMYKBNIA-OAGGEKHMSA-N 1 2 333.480 2.481 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H](OC)C1 ZINC001524347320 1120069654 /nfs/dbraw/zinc/06/96/54/1120069654.db2.gz PQTVTIZVWFFNHD-INIZCTEOSA-N 1 2 333.480 2.455 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1cc(C)nn1C)Cc1ccc(OC)cc1 ZINC000056291313 214368290 /nfs/dbraw/zinc/36/82/90/214368290.db2.gz LSXHZWVZIRBBRW-UHFFFAOYSA-N 1 2 328.416 2.364 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)nn1C)Cc1ccc(OC)cc1 ZINC000056291313 214368292 /nfs/dbraw/zinc/36/82/92/214368292.db2.gz LSXHZWVZIRBBRW-UHFFFAOYSA-N 1 2 328.416 2.364 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2ncccn2)[C@@H]1CC ZINC001087602867 781921517 /nfs/dbraw/zinc/92/15/17/781921517.db2.gz KPVOUHXPSYOYGM-JKSUJKDBSA-N 1 2 339.443 2.247 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2ncccn2)[C@@H]1CC ZINC001087602867 781921522 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ZINC000491417811 246024644 /nfs/dbraw/zinc/02/46/44/246024644.db2.gz OTFUQPXWSPPWAB-UHFFFAOYSA-N 1 2 341.415 2.209 20 30 EEEDLO C#CCNC(=O)C1CC[NH+](Cc2nc(C(F)(F)F)cs2)CC1 ZINC000491618365 246085926 /nfs/dbraw/zinc/08/59/26/246085926.db2.gz CERJMTZLVHMNEM-UHFFFAOYSA-N 1 2 331.363 2.123 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495331538 247125020 /nfs/dbraw/zinc/12/50/20/247125020.db2.gz PCIHPRJPOWDWHC-GJZGRUSLSA-N 1 2 339.480 2.256 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495331538 247125023 /nfs/dbraw/zinc/12/50/23/247125023.db2.gz PCIHPRJPOWDWHC-GJZGRUSLSA-N 1 2 339.480 2.256 20 30 EEEDLO Cc1cc(N2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000496113079 247326926 /nfs/dbraw/zinc/32/69/26/247326926.db2.gz DLHBWMNYFYFNQD-HNNXBMFYSA-N 1 2 346.431 2.382 20 30 EEEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000266552390 248357384 /nfs/dbraw/zinc/35/73/84/248357384.db2.gz UQGASJGCIDJATR-UHFFFAOYSA-N 1 2 327.428 2.210 20 30 EEEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000266552390 248357386 /nfs/dbraw/zinc/35/73/86/248357386.db2.gz UQGASJGCIDJATR-UHFFFAOYSA-N 1 2 327.428 2.210 20 30 EEEDLO CC(=O)N(C)C1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000177047626 207287283 /nfs/dbraw/zinc/28/72/83/207287283.db2.gz QGMJHPPQTUCKKK-UHFFFAOYSA-N 1 2 348.472 2.118 20 30 EEEDLO Cc1cccc(NC(=O)C[NH+]2CCN(c3ccc(C#N)nc3)CC2)c1C ZINC000267435940 256059181 /nfs/dbraw/zinc/05/91/81/256059181.db2.gz XUNAKLCIHLGDNR-UHFFFAOYSA-N 1 2 349.438 2.331 20 30 EEEDLO COc1cccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1OC ZINC000271019747 256199765 /nfs/dbraw/zinc/19/97/65/256199765.db2.gz AGHHUBQFSOURJZ-UHFFFAOYSA-N 1 2 338.411 2.293 20 30 EEEDLO C#C[C@@H](CCC)NC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000491439250 533242897 /nfs/dbraw/zinc/24/28/97/533242897.db2.gz ISOGOPZWFWNNCL-JKSUJKDBSA-N 1 2 348.516 2.138 20 30 EEEDLO CCCCOc1ncccc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115598354 152032767 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/nfs/dbraw/zinc/21/18/92/463211892.db2.gz UHZZRLCVDZUKTQ-INIZCTEOSA-N 1 2 345.468 2.107 20 30 EEEDLO CC(C)N(C(=O)[C@H](C)O[NH+]=C(N)c1ccc2c(c1)CCO2)C(C)C ZINC000158201274 463215426 /nfs/dbraw/zinc/21/54/26/463215426.db2.gz VLJSQOPUGZKSLM-ZDUSSCGKSA-N 1 2 333.432 2.292 20 30 EEEDLO O=C(C#Cc1ccc2c(c1)OCO2)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000136137358 463222681 /nfs/dbraw/zinc/22/26/81/463222681.db2.gz HJTSDOABFQPEDC-UHFFFAOYSA-N 1 2 349.390 2.078 20 30 EEEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCc3cc(C)on3)cn2)n1 ZINC000122235470 463249297 /nfs/dbraw/zinc/24/92/97/463249297.db2.gz NAOLGTKGHHFJFA-UHFFFAOYSA-N 1 2 326.360 2.018 20 30 EEEDLO CCC[C@@H](C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000568558553 468355498 /nfs/dbraw/zinc/35/54/98/468355498.db2.gz ZXACLSGSOVKAQS-HOCLYGCPSA-N 1 2 332.423 2.145 20 30 EEEDLO CCOCCCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000056423841 463400465 /nfs/dbraw/zinc/40/04/65/463400465.db2.gz GFPWQRWAXMXZBY-UHFFFAOYSA-N 1 2 344.459 2.202 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000072277420 463494602 /nfs/dbraw/zinc/49/46/02/463494602.db2.gz RAVZJIBTOQDLAW-SFHVURJKSA-N 1 2 345.406 2.457 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000072277420 463494610 /nfs/dbraw/zinc/49/46/10/463494610.db2.gz RAVZJIBTOQDLAW-SFHVURJKSA-N 1 2 345.406 2.457 20 30 EEEDLO Cc1cc(Cl)cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000151228360 463496729 /nfs/dbraw/zinc/49/67/29/463496729.db2.gz QJXBBHXQSSXYDU-UHFFFAOYSA-N 1 2 335.835 2.337 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1nc2ccccc2n1C ZINC000083243082 463542091 /nfs/dbraw/zinc/54/20/91/463542091.db2.gz UQGCJBXCRWTJSP-KUHUBIRLSA-N 1 2 341.459 2.448 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1nc2ccccc2n1C ZINC000083243082 463542095 /nfs/dbraw/zinc/54/20/95/463542095.db2.gz UQGCJBXCRWTJSP-KUHUBIRLSA-N 1 2 341.459 2.448 20 30 EEEDLO CCC(CC)NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354515 463559018 /nfs/dbraw/zinc/55/90/18/463559018.db2.gz MRSSAPOPMLVBMT-MRXNPFEDSA-N 1 2 342.487 2.369 20 30 EEEDLO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000042354515 463559024 /nfs/dbraw/zinc/55/90/24/463559024.db2.gz MRSSAPOPMLVBMT-MRXNPFEDSA-N 1 2 342.487 2.369 20 30 EEEDLO C[C@H]1CN(c2ccc(CNC(=O)C3(C#N)CCCC3)c[nH+]2)C[C@H](C)O1 ZINC000044536942 463682119 /nfs/dbraw/zinc/68/21/19/463682119.db2.gz KOLLNBDCMUIXDS-GJZGRUSLSA-N 1 2 342.443 2.395 20 30 EEEDLO C[C@@H]1c2nncn2CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000276718728 463730346 /nfs/dbraw/zinc/73/03/46/463730346.db2.gz AISZBSZVNXTRLN-LLVKDONJSA-N 1 2 344.806 2.209 20 30 EEEDLO C[C@@H]1c2nncn2CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000276718728 463730348 /nfs/dbraw/zinc/73/03/48/463730348.db2.gz AISZBSZVNXTRLN-LLVKDONJSA-N 1 2 344.806 2.209 20 30 EEEDLO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1[N+](=O)[O-] ZINC000193853209 463749833 /nfs/dbraw/zinc/74/98/33/463749833.db2.gz IZBIFRUOVODTEK-UHFFFAOYSA-N 1 2 337.383 2.492 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000287057998 463786670 /nfs/dbraw/zinc/78/66/70/463786670.db2.gz UHNGDZGSVPNMRU-QAPCUYQASA-N 1 2 333.407 2.118 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000287057998 463786674 /nfs/dbraw/zinc/78/66/74/463786674.db2.gz UHNGDZGSVPNMRU-QAPCUYQASA-N 1 2 333.407 2.118 20 30 EEEDLO C=C(C)COCCNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178190573 463858588 /nfs/dbraw/zinc/85/85/88/463858588.db2.gz ZYZLFGGIPGPJBH-UHFFFAOYSA-N 1 2 335.423 2.246 20 30 EEEDLO C=C(C)CN(CC)C(=O)C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000283459876 463892414 /nfs/dbraw/zinc/89/24/14/463892414.db2.gz KZJXRKFNXYLOOK-UHFFFAOYSA-N 1 2 331.460 2.444 20 30 EEEDLO C=C(C)CN(CC)C(=O)C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000283459876 463892420 /nfs/dbraw/zinc/89/24/20/463892420.db2.gz KZJXRKFNXYLOOK-UHFFFAOYSA-N 1 2 331.460 2.444 20 30 EEEDLO CCOC1CC(CNc2nc(C)cc(C)c2C#N)([NH+]2CCOCC2)C1 ZINC000195315689 464037733 /nfs/dbraw/zinc/03/77/33/464037733.db2.gz HOQYKHWOMUATRU-UHFFFAOYSA-N 1 2 344.459 2.252 20 30 EEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccn(CCC#N)n2)c1C ZINC000172370945 464065603 /nfs/dbraw/zinc/06/56/03/464065603.db2.gz ZJSOOMZNRVVKFH-UHFFFAOYSA-N 1 2 342.403 2.481 20 30 EEEDLO CCOC(=O)Nc1ccc(NC(=O)CCn2cc[nH+]c2)cc1C#N ZINC000269791765 464096100 /nfs/dbraw/zinc/09/61/00/464096100.db2.gz NLWCXAFWFFCOLJ-UHFFFAOYSA-N 1 2 327.344 2.352 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cc(C2CC2)ccn1 ZINC000290044168 464105949 /nfs/dbraw/zinc/10/59/49/464105949.db2.gz HBZCRCHUWRYPQN-UHFFFAOYSA-N 1 2 343.431 2.039 20 30 EEEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H]1OCCc2ccccc21 ZINC000263682333 464152579 /nfs/dbraw/zinc/15/25/79/464152579.db2.gz IMSUYVIJPMYRDS-HKUYNNGSSA-N 1 2 327.428 2.041 20 30 EEEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H]1OCCc2ccccc21 ZINC000263682333 464152583 /nfs/dbraw/zinc/15/25/83/464152583.db2.gz IMSUYVIJPMYRDS-HKUYNNGSSA-N 1 2 327.428 2.041 20 30 EEEDLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292241064 464170023 /nfs/dbraw/zinc/17/00/23/464170023.db2.gz QFWPYKGGMJHLFM-WMZOPIPTSA-N 1 2 337.379 2.321 20 30 EEEDLO COC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292241064 464170027 /nfs/dbraw/zinc/17/00/27/464170027.db2.gz QFWPYKGGMJHLFM-WMZOPIPTSA-N 1 2 337.379 2.321 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H](SCC[NH+]3CCOCC3)C2=O)cc1 ZINC000180024082 464226196 /nfs/dbraw/zinc/22/61/96/464226196.db2.gz YLBVIMSEXYNOAV-KRWDZBQOSA-N 1 2 345.468 2.119 20 30 EEEDLO N#CCCn1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)n1 ZINC000173332494 464242369 /nfs/dbraw/zinc/24/23/69/464242369.db2.gz PVICFHAMSVZTQB-UHFFFAOYSA-N 1 2 335.371 2.304 20 30 EEEDLO C#CC[C@@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000270530574 464259342 /nfs/dbraw/zinc/25/93/42/464259342.db2.gz VHZIDCSZOUWKBV-LJQANCHMSA-N 1 2 348.450 2.084 20 30 EEEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCO[C@@H](C#N)C3)n2)C1 ZINC000264322395 464295212 /nfs/dbraw/zinc/29/52/12/464295212.db2.gz BNFUCDZDYKVVFD-OCCSQVGLSA-N 1 2 349.460 2.131 20 30 EEEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCO[C@@H](C#N)C3)n2)C1 ZINC000264322395 464295220 /nfs/dbraw/zinc/29/52/20/464295220.db2.gz BNFUCDZDYKVVFD-OCCSQVGLSA-N 1 2 349.460 2.131 20 30 EEEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cc(F)c(F)c(F)c1 ZINC000180502032 464325727 /nfs/dbraw/zinc/32/57/27/464325727.db2.gz BQDFQGQZXUQRNR-MRXNPFEDSA-N 1 2 325.334 2.344 20 30 EEEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cc(F)c(F)c(F)c1 ZINC000180502032 464325730 /nfs/dbraw/zinc/32/57/30/464325730.db2.gz BQDFQGQZXUQRNR-MRXNPFEDSA-N 1 2 325.334 2.344 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000281122046 464338615 /nfs/dbraw/zinc/33/86/15/464338615.db2.gz WYEQFAMKECNGBJ-YOEHRIQHSA-N 1 2 328.416 2.423 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000281219652 464376389 /nfs/dbraw/zinc/37/63/89/464376389.db2.gz DRKAODPOCDYRBX-BBRMVZONSA-N 1 2 349.862 2.236 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000281219652 464376392 /nfs/dbraw/zinc/37/63/92/464376392.db2.gz DRKAODPOCDYRBX-BBRMVZONSA-N 1 2 349.862 2.236 20 30 EEEDLO N#Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000264635177 464402133 /nfs/dbraw/zinc/40/21/33/464402133.db2.gz LNXBINIECFLKKF-UHFFFAOYSA-N 1 2 346.862 2.346 20 30 EEEDLO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)C1=O ZINC000281294592 464404211 /nfs/dbraw/zinc/40/42/11/464404211.db2.gz JLPHFGIBSRHZSL-DZGCQCFKSA-N 1 2 326.400 2.098 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000343102428 465476803 /nfs/dbraw/zinc/47/68/03/465476803.db2.gz UFTGEZXGIQDVIB-CQSZACIVSA-N 1 2 349.500 2.083 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000343102428 465476807 /nfs/dbraw/zinc/47/68/07/465476807.db2.gz UFTGEZXGIQDVIB-CQSZACIVSA-N 1 2 349.500 2.083 20 30 EEEDLO CCOC1CC(CO[NH+]=C(N)c2ccc(-n3nc(C)cc3C)nc2)C1 ZINC000285014990 464427040 /nfs/dbraw/zinc/42/70/40/464427040.db2.gz DODGJOBNGCGXDE-UHFFFAOYSA-N 1 2 343.431 2.336 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NCc2ccccc2Cl)C1=O ZINC000281509880 464484518 /nfs/dbraw/zinc/48/45/18/464484518.db2.gz YSCKMIIXJYUKAL-BBRMVZONSA-N 1 2 349.862 2.063 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NCc2ccccc2Cl)C1=O ZINC000281509880 464484520 /nfs/dbraw/zinc/48/45/20/464484520.db2.gz YSCKMIIXJYUKAL-BBRMVZONSA-N 1 2 349.862 2.063 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000245481224 464486064 /nfs/dbraw/zinc/48/60/64/464486064.db2.gz YBPINFMHIOUNEX-OSDILXSKSA-N 1 2 349.500 2.471 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000245481224 464486068 /nfs/dbraw/zinc/48/60/68/464486068.db2.gz YBPINFMHIOUNEX-OSDILXSKSA-N 1 2 349.500 2.471 20 30 EEEDLO C=CC[N@@H+](C[C@@H](O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000246227920 464560652 /nfs/dbraw/zinc/56/06/52/464560652.db2.gz GAYLJQIRNMLTEY-SWLSCSKDSA-N 1 2 329.849 2.049 20 30 EEEDLO C=CC[N@H+](C[C@@H](O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000246227920 464560654 /nfs/dbraw/zinc/56/06/54/464560654.db2.gz GAYLJQIRNMLTEY-SWLSCSKDSA-N 1 2 329.849 2.049 20 30 EEEDLO O=C(NCC[NH2+][C@@H](CCc1ccccc1)C(F)F)C1N=CC=CC1=O ZINC000272506940 464638345 /nfs/dbraw/zinc/63/83/45/464638345.db2.gz MCFJDEKQVIKBPN-HFUDNHEJSA-N 1 2 349.381 2.369 20 30 EEEDLO N#Cc1ccc(N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)c(Cl)c1 ZINC000281931649 464639219 /nfs/dbraw/zinc/63/92/19/464639219.db2.gz ROLZQIWVJBBDDX-UHFFFAOYSA-N 1 2 343.818 2.216 20 30 EEEDLO N#Cc1ccc(N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)c(Cl)c1 ZINC000281931649 464639224 /nfs/dbraw/zinc/63/92/24/464639224.db2.gz ROLZQIWVJBBDDX-UHFFFAOYSA-N 1 2 343.818 2.216 20 30 EEEDLO COc1cc(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)ccc1C#N ZINC000282263164 464757074 /nfs/dbraw/zinc/75/70/74/464757074.db2.gz KCJAIYJNTVFVHK-KRWDZBQOSA-N 1 2 344.436 2.442 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCc1nc(-c2cccs2)no1 ZINC000569008493 468424524 /nfs/dbraw/zinc/42/45/24/468424524.db2.gz PRTRENLUIDZSNG-MRXNPFEDSA-N 1 2 347.444 2.081 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N[C@H]2CCCC[C@H]2C)cc1OC ZINC000298718210 465482017 /nfs/dbraw/zinc/48/20/17/465482017.db2.gz CSLSMVVSICCSIQ-OCCSQVGLSA-N 1 2 349.431 2.036 20 30 EEEDLO CC(C)n1cc2cc(NC(=O)NCC[NH+]3CCOCC3)ccc2n1 ZINC000329948253 465484991 /nfs/dbraw/zinc/48/49/91/465484991.db2.gz YVTYETFBZFVCNH-UHFFFAOYSA-N 1 2 331.420 2.275 20 30 EEEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177016825 464908817 /nfs/dbraw/zinc/90/88/17/464908817.db2.gz BNRBEJDZSJNGDR-INIZCTEOSA-N 1 2 347.890 2.224 20 30 EEEDLO CC[C@H](CC#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000183960323 464931026 /nfs/dbraw/zinc/93/10/26/464931026.db2.gz WGGDRSHYJVLKEH-OAHLLOKOSA-N 1 2 339.399 2.334 20 30 EEEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1CCN(CC(F)(F)F)CC1 ZINC000329389555 465319993 /nfs/dbraw/zinc/31/99/93/465319993.db2.gz RWFPFKCJWOHTDZ-LBPRGKRZSA-N 1 2 330.354 2.429 20 30 EEEDLO Cc1cc(NC(=O)NCc2ncn(C)n2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329401402 465322533 /nfs/dbraw/zinc/32/25/33/465322533.db2.gz YBGGNLNBZFEIKR-ZDUSSCGKSA-N 1 2 343.435 2.423 20 30 EEEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)CC2(C#N)CCCCC2)no1 ZINC000597056640 468429684 /nfs/dbraw/zinc/42/96/84/468429684.db2.gz CCOKQZXXEKJJMI-UHFFFAOYSA-N 1 2 333.436 2.347 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1C#N ZINC000329456696 465339469 /nfs/dbraw/zinc/33/94/69/465339469.db2.gz MYRKDCLVCPIGNB-BXUZGUMPSA-N 1 2 346.456 2.080 20 30 EEEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000352003152 465466352 /nfs/dbraw/zinc/46/63/52/465466352.db2.gz PHVWDJDHDCABDD-UHFFFAOYSA-N 1 2 340.471 2.205 20 30 EEEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000352003152 465466355 /nfs/dbraw/zinc/46/63/55/465466355.db2.gz PHVWDJDHDCABDD-UHFFFAOYSA-N 1 2 340.471 2.205 20 30 EEEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000329912898 465473001 /nfs/dbraw/zinc/47/30/01/465473001.db2.gz WZSCTPSQILJJSO-DYVFJYSZSA-N 1 2 339.436 2.069 20 30 EEEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000329912898 465473009 /nfs/dbraw/zinc/47/30/09/465473009.db2.gz WZSCTPSQILJJSO-DYVFJYSZSA-N 1 2 339.436 2.069 20 30 EEEDLO C[C@H]1C[C@@H](O)CCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000330186064 465562502 /nfs/dbraw/zinc/56/25/02/465562502.db2.gz JMAFXFVDKMVGBW-MJBXVCDLSA-N 1 2 334.464 2.255 20 30 EEEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)Cc2ccccc2O1 ZINC000330220308 465572898 /nfs/dbraw/zinc/57/28/98/465572898.db2.gz QDALUVULSAAKSQ-TZMCWYRMSA-N 1 2 326.400 2.464 20 30 EEEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)Cc2ccccc2O1 ZINC000330220308 465572904 /nfs/dbraw/zinc/57/29/04/465572904.db2.gz QDALUVULSAAKSQ-TZMCWYRMSA-N 1 2 326.400 2.464 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000360827792 465614687 /nfs/dbraw/zinc/61/46/87/465614687.db2.gz GEQHQBLYJHLAOR-CQSZACIVSA-N 1 2 331.420 2.236 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000360827792 465614691 /nfs/dbraw/zinc/61/46/91/465614691.db2.gz GEQHQBLYJHLAOR-CQSZACIVSA-N 1 2 331.420 2.236 20 30 EEEDLO CCn1cc([C@H]2OCC[C@@H]2NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cn1 ZINC000330336064 465619371 /nfs/dbraw/zinc/61/93/71/465619371.db2.gz SBDUALZULRJRLA-UHOFOFEASA-N 1 2 329.404 2.149 20 30 EEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2CCCCO2)CC1=O ZINC000299248704 465664378 /nfs/dbraw/zinc/66/43/78/465664378.db2.gz POHPZPQLUKGIMM-CYBMUJFWSA-N 1 2 340.427 2.215 20 30 EEEDLO CCC(O)(CC)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000299388554 465727635 /nfs/dbraw/zinc/72/76/35/465727635.db2.gz ZQWPTXJFDPBEPS-UHFFFAOYSA-N 1 2 342.443 2.197 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccn3)CC2)s1 ZINC000371417564 465782494 /nfs/dbraw/zinc/78/24/94/465782494.db2.gz VZGKEEXBBSJWMY-UHFFFAOYSA-N 1 2 326.425 2.363 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccn3)CC2)s1 ZINC000371417564 465782499 /nfs/dbraw/zinc/78/24/99/465782499.db2.gz VZGKEEXBBSJWMY-UHFFFAOYSA-N 1 2 326.425 2.363 20 30 EEEDLO COc1ccc(F)cc1C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000361147120 465799414 /nfs/dbraw/zinc/79/94/14/465799414.db2.gz QPGNMRRPKZXVPG-UHFFFAOYSA-N 1 2 343.406 2.070 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000366702274 465886741 /nfs/dbraw/zinc/88/67/41/465886741.db2.gz MXMZRGULCUIAOS-OIISXLGYSA-N 1 2 331.416 2.226 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](Cn3nc(C)nc3C)C2)cc1 ZINC000353650189 466040993 /nfs/dbraw/zinc/04/09/93/466040993.db2.gz ZUHIBXNYRBMZND-IBGZPJMESA-N 1 2 342.443 2.361 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](Cn3nc(C)nc3C)C2)cc1 ZINC000353650189 466040999 /nfs/dbraw/zinc/04/09/99/466040999.db2.gz ZUHIBXNYRBMZND-IBGZPJMESA-N 1 2 342.443 2.361 20 30 EEEDLO C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000349375486 466087745 /nfs/dbraw/zinc/08/77/45/466087745.db2.gz CDDQDIIHUIYGKU-KRWDZBQOSA-N 1 2 331.460 2.495 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)NCCCCC#N)CC2)no1 ZINC000353720474 466092987 /nfs/dbraw/zinc/09/29/87/466092987.db2.gz LJZKQWBJPIMYCA-OAHLLOKOSA-N 1 2 348.451 2.068 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)NCCCCC#N)CC2)no1 ZINC000353720474 466092994 /nfs/dbraw/zinc/09/29/94/466092994.db2.gz LJZKQWBJPIMYCA-OAHLLOKOSA-N 1 2 348.451 2.068 20 30 EEEDLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NCC#N)c2c1C ZINC000302761128 466179247 /nfs/dbraw/zinc/17/92/47/466179247.db2.gz KFJRNWHYLAUFJZ-UHFFFAOYSA-N 1 2 333.417 2.174 20 30 EEEDLO N#CC1(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CCC1 ZINC000340637741 466231181 /nfs/dbraw/zinc/23/11/81/466231181.db2.gz GGENOOFWBLOEBH-UHFFFAOYSA-N 1 2 337.383 2.088 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@](F)(CO)C2)c1 ZINC000338588051 466238969 /nfs/dbraw/zinc/23/89/69/466238969.db2.gz SCWNYXZXXSTATB-QFBILLFUSA-N 1 2 347.434 2.345 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@](F)(CO)C2)c1 ZINC000338588051 466238976 /nfs/dbraw/zinc/23/89/76/466238976.db2.gz SCWNYXZXXSTATB-QFBILLFUSA-N 1 2 347.434 2.345 20 30 EEEDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000354015435 466330143 /nfs/dbraw/zinc/33/01/43/466330143.db2.gz SIRXEWISPQUQSX-LJQANCHMSA-N 1 2 335.407 2.419 20 30 EEEDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000354015435 466330145 /nfs/dbraw/zinc/33/01/45/466330145.db2.gz SIRXEWISPQUQSX-LJQANCHMSA-N 1 2 335.407 2.419 20 30 EEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCCCCCC)CC1 ZINC000363537088 466465251 /nfs/dbraw/zinc/46/52/51/466465251.db2.gz VCKGRUGICOBTDP-UHFFFAOYSA-N 1 2 335.492 2.021 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCCCCCC)CC1 ZINC000363537088 466465258 /nfs/dbraw/zinc/46/52/58/466465258.db2.gz VCKGRUGICOBTDP-UHFFFAOYSA-N 1 2 335.492 2.021 20 30 EEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@](C)(CC)CCCCC)CC1 ZINC000368745740 466697386 /nfs/dbraw/zinc/69/73/86/466697386.db2.gz HTVNRESHJKRLNN-FQEVSTJZSA-N 1 2 349.519 2.267 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@](C)(CC)CCCCC)CC1 ZINC000368745740 466697392 /nfs/dbraw/zinc/69/73/92/466697392.db2.gz HTVNRESHJKRLNN-FQEVSTJZSA-N 1 2 349.519 2.267 20 30 EEEDLO N#C[C@@H](NC(=O)C1CC[NH+](CC(F)F)CC1)c1ccccc1F ZINC000410646207 466722469 /nfs/dbraw/zinc/72/24/69/466722469.db2.gz YIGUYYUXHANELV-CQSZACIVSA-N 1 2 325.334 2.484 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000423698425 466806136 /nfs/dbraw/zinc/80/61/36/466806136.db2.gz NFHRZSQYLJNGHV-GFCCVEGCSA-N 1 2 340.370 2.235 20 30 EEEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000376594375 466920925 /nfs/dbraw/zinc/92/09/25/466920925.db2.gz DTNQMFJBRDRSCT-IRXDYDNUSA-N 1 2 340.471 2.443 20 30 EEEDLO Cc1cc(N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)c(C#N)c[nH+]1 ZINC000425271991 467091264 /nfs/dbraw/zinc/09/12/64/467091264.db2.gz WDDUSQGVGXPHRT-BRWVUGGUSA-N 1 2 325.416 2.489 20 30 EEEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000429237117 467315074 /nfs/dbraw/zinc/31/50/74/467315074.db2.gz JXPAPQWWGMMDQU-LIRRHRJNSA-N 1 2 344.434 2.145 20 30 EEEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000429237117 467315075 /nfs/dbraw/zinc/31/50/75/467315075.db2.gz JXPAPQWWGMMDQU-LIRRHRJNSA-N 1 2 344.434 2.145 20 30 EEEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000378500995 467323927 /nfs/dbraw/zinc/32/39/27/467323927.db2.gz SKLDKQJJOFRYFX-XKQJLSEDSA-N 1 2 332.400 2.130 20 30 EEEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000378500995 467323931 /nfs/dbraw/zinc/32/39/31/467323931.db2.gz SKLDKQJJOFRYFX-XKQJLSEDSA-N 1 2 332.400 2.130 20 30 EEEDLO Cc1cc(F)cc(Br)c1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414127151 467380501 /nfs/dbraw/zinc/38/05/01/467380501.db2.gz PRUFEDLMGXGYRE-LBPRGKRZSA-N 1 2 345.212 2.482 20 30 EEEDLO Cc1cc(F)cc(Br)c1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414127151 467380502 /nfs/dbraw/zinc/38/05/02/467380502.db2.gz PRUFEDLMGXGYRE-LBPRGKRZSA-N 1 2 345.212 2.482 20 30 EEEDLO CN(C(=O)C(C)(C)C)c1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000414160845 467384827 /nfs/dbraw/zinc/38/48/27/467384827.db2.gz JNNNYOVMGXCTBG-INIZCTEOSA-N 1 2 347.459 2.281 20 30 EEEDLO CN(C(=O)C(C)(C)C)c1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000414160845 467384829 /nfs/dbraw/zinc/38/48/29/467384829.db2.gz JNNNYOVMGXCTBG-INIZCTEOSA-N 1 2 347.459 2.281 20 30 EEEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000407990271 467491523 /nfs/dbraw/zinc/49/15/23/467491523.db2.gz MVYQARPPQHXCRA-NEPJUHHUSA-N 1 2 334.401 2.106 20 30 EEEDLO C[C@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000437401754 467556243 /nfs/dbraw/zinc/55/62/43/467556243.db2.gz BZMJVIHFRUBZEO-CYBMUJFWSA-N 1 2 338.367 2.430 20 30 EEEDLO C=CCCCCNC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000441127545 467571625 /nfs/dbraw/zinc/57/16/25/467571625.db2.gz QUFNPQNVRLFQIL-SFHVURJKSA-N 1 2 339.480 2.448 20 30 EEEDLO COc1cc(C[N@@H+]2CCNC(=O)[C@@H]2Cc2ccccc2)ccc1C#N ZINC000442836347 467577961 /nfs/dbraw/zinc/57/79/61/467577961.db2.gz GVLCBRFQKZTVRQ-SFHVURJKSA-N 1 2 335.407 2.110 20 30 EEEDLO COc1cc(C[N@H+]2CCNC(=O)[C@@H]2Cc2ccccc2)ccc1C#N ZINC000442836347 467577962 /nfs/dbraw/zinc/57/79/62/467577962.db2.gz GVLCBRFQKZTVRQ-SFHVURJKSA-N 1 2 335.407 2.110 20 30 EEEDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000444783377 467583462 /nfs/dbraw/zinc/58/34/62/467583462.db2.gz STGBHPITLVFGLV-QZTJIDSGSA-N 1 2 337.464 2.239 20 30 EEEDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000444783377 467583464 /nfs/dbraw/zinc/58/34/64/467583464.db2.gz STGBHPITLVFGLV-QZTJIDSGSA-N 1 2 337.464 2.239 20 30 EEEDLO Cc1cccc([C@H](CNC(=O)[C@]2(C#N)C[C@H]2C)[NH+]2CCOCC2)c1 ZINC000448694619 467599704 /nfs/dbraw/zinc/59/97/04/467599704.db2.gz OIPLFGRZMMDILD-AYBZRNKSSA-N 1 2 327.428 2.034 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000457673910 467675590 /nfs/dbraw/zinc/67/55/90/467675590.db2.gz ZQKLHLPDWPRXNW-KRWDZBQOSA-N 1 2 346.475 2.444 20 30 EEEDLO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ncc(C#N)cn2)CC1 ZINC000496819695 467718142 /nfs/dbraw/zinc/71/81/42/467718142.db2.gz NAFUUQSIDJHGHH-UHFFFAOYSA-N 1 2 331.420 2.085 20 30 EEEDLO Cc1nn(C(C)(C)C)c(C)c1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000505273646 467938528 /nfs/dbraw/zinc/93/85/28/467938528.db2.gz PEGBBPURQMIHOQ-UHFFFAOYSA-N 1 2 347.507 2.303 20 30 EEEDLO CC[C@H](C#N)Oc1cc(CNC(=O)/C=C\c2[nH]cc[nH+]2)ccc1OC ZINC000493623365 467951500 /nfs/dbraw/zinc/95/15/00/467951500.db2.gz UDSPCYMMESNZTD-LMVHVUTASA-N 1 2 340.383 2.429 20 30 EEEDLO N#CCCn1ncc(C(=O)N2CCn3c[nH+]cc3C2)c1-c1ccccc1 ZINC000515447242 467992298 /nfs/dbraw/zinc/99/22/98/467992298.db2.gz JOFXBJZLGRXREI-UHFFFAOYSA-N 1 2 346.394 2.316 20 30 EEEDLO Cc1cc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)ccc1C#N ZINC000488148765 468073915 /nfs/dbraw/zinc/07/39/15/468073915.db2.gz XXINICQIPHRJNE-ZWKOTPCHSA-N 1 2 348.468 2.035 20 30 EEEDLO Cc1cc(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)ccc1C#N ZINC000488148765 468073918 /nfs/dbraw/zinc/07/39/18/468073918.db2.gz XXINICQIPHRJNE-ZWKOTPCHSA-N 1 2 348.468 2.035 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(C(F)(F)F)n[nH]3)C2)nc1 ZINC000517660403 468092202 /nfs/dbraw/zinc/09/22/02/468092202.db2.gz QWGLSBQXFAORSP-GFCCVEGCSA-N 1 2 337.305 2.348 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(C(F)(F)F)n[nH]3)C2)nc1 ZINC000517660403 468092204 /nfs/dbraw/zinc/09/22/04/468092204.db2.gz QWGLSBQXFAORSP-GFCCVEGCSA-N 1 2 337.305 2.348 20 30 EEEDLO N#CC1(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000518290061 468110557 /nfs/dbraw/zinc/11/05/57/468110557.db2.gz VMFWTHSALDWEHO-UHFFFAOYSA-N 1 2 325.372 2.387 20 30 EEEDLO Cc1cc(C#N)cnc1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000551181572 468233740 /nfs/dbraw/zinc/23/37/40/468233740.db2.gz DRJUNRRDTYAAJA-OAHLLOKOSA-N 1 2 335.411 2.176 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cc(Br)ccc1F ZINC000567995275 468253361 /nfs/dbraw/zinc/25/33/61/468253361.db2.gz GQYORSFRPDVJHQ-AWEZNQCLSA-N 1 2 342.212 2.091 20 30 EEEDLO C[NH+](C)[C@@H](C(=O)Nc1n[nH]c(C2CC2)c1C#N)c1ccc(Cl)cc1 ZINC000594421526 468580949 /nfs/dbraw/zinc/58/09/49/468580949.db2.gz XPTXONZCIVYRSS-OAHLLOKOSA-N 1 2 343.818 3.054 20 30 EEEDLO CC(C)(C)[C@H](NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1cccs1 ZINC000592149341 468639293 /nfs/dbraw/zinc/63/92/93/468639293.db2.gz NGRYSQTXIXHBHR-NVXWUHKLSA-N 1 2 335.473 2.302 20 30 EEEDLO CC(C)(C)[C@H](NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1cccs1 ZINC000592149341 468639301 /nfs/dbraw/zinc/63/93/01/468639301.db2.gz NGRYSQTXIXHBHR-NVXWUHKLSA-N 1 2 335.473 2.302 20 30 EEEDLO Cc1cc(C)c(NC(=O)C(=O)N2CCC(CCC#N)CC2)c(C)[nH+]1 ZINC000592294389 468671530 /nfs/dbraw/zinc/67/15/30/468671530.db2.gz CRYVKWDXSCTHAV-UHFFFAOYSA-N 1 2 328.416 2.488 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)CCc1ccc(C#N)cc1)C(C)(C)CO ZINC000597848476 468692726 /nfs/dbraw/zinc/69/27/26/468692726.db2.gz VEBXMKHIJFMJKL-KRWDZBQOSA-N 1 2 340.427 2.100 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c(OC(F)F)c1 ZINC000571679257 468822627 /nfs/dbraw/zinc/82/26/27/468822627.db2.gz OGUCLHFXYODOIZ-LBPRGKRZSA-N 1 2 349.341 2.363 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c(OC(F)F)c1 ZINC000571679257 468822633 /nfs/dbraw/zinc/82/26/33/468822633.db2.gz OGUCLHFXYODOIZ-LBPRGKRZSA-N 1 2 349.341 2.363 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cc(F)c(Br)c(F)c1 ZINC000584227655 468824575 /nfs/dbraw/zinc/82/45/75/468824575.db2.gz AKMPKZYEMHHREV-SNVBAGLBSA-N 1 2 348.191 2.346 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cc(F)c(Br)c(F)c1 ZINC000584227655 468824577 /nfs/dbraw/zinc/82/45/77/468824577.db2.gz AKMPKZYEMHHREV-SNVBAGLBSA-N 1 2 348.191 2.346 20 30 EEEDLO CCc1nc2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc2nc1CC ZINC000593155611 468889610 /nfs/dbraw/zinc/88/96/10/468889610.db2.gz KNRYVOXSGCTIBK-LJQANCHMSA-N 1 2 339.443 2.328 20 30 EEEDLO COc1ccc(-c2ncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)s2)cc1 ZINC000572291674 468912669 /nfs/dbraw/zinc/91/26/69/468912669.db2.gz WSJXICWEPYXNAM-KRWDZBQOSA-N 1 2 344.440 2.392 20 30 EEEDLO COc1cc(CCCNc2cc(C)[nH+]cc2C#N)cc(OC)c1O ZINC000598645449 468943655 /nfs/dbraw/zinc/94/36/55/468943655.db2.gz DWPFOBRWPMFFNC-UHFFFAOYSA-N 1 2 327.384 2.451 20 30 EEEDLO C=CCCSCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000595722719 468969518 /nfs/dbraw/zinc/96/95/18/468969518.db2.gz GXIQEQZZBGDDCB-UHFFFAOYSA-N 1 2 334.489 2.218 20 30 EEEDLO COc1ccc2[nH+]c(N(C)CCCc3[nH]nc(N)c3C#N)ccc2c1 ZINC000610514331 468990689 /nfs/dbraw/zinc/99/06/89/468990689.db2.gz AQDKKRJKXIYSNA-UHFFFAOYSA-N 1 2 336.399 2.489 20 30 EEEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000610786691 469071256 /nfs/dbraw/zinc/07/12/56/469071256.db2.gz YEZLWECDDIXAFS-KRWDZBQOSA-N 1 2 346.427 2.370 20 30 EEEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000610786691 469071264 /nfs/dbraw/zinc/07/12/64/469071264.db2.gz YEZLWECDDIXAFS-KRWDZBQOSA-N 1 2 346.427 2.370 20 30 EEEDLO N#Cc1nc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)sc1Cl ZINC000596054466 469130692 /nfs/dbraw/zinc/13/06/92/469130692.db2.gz OATMNVOLEOJOCD-ZDUSSCGKSA-N 1 2 348.859 2.981 20 30 EEEDLO N#Cc1nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)sc1Cl ZINC000596054466 469130700 /nfs/dbraw/zinc/13/07/00/469130700.db2.gz OATMNVOLEOJOCD-ZDUSSCGKSA-N 1 2 348.859 2.981 20 30 EEEDLO N#CCN1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602452894 469322025 /nfs/dbraw/zinc/32/20/25/469322025.db2.gz FNIZSOAYEANJPI-UHFFFAOYSA-N 1 2 328.294 2.255 20 30 EEEDLO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)Cc2ccccc21 ZINC000599677323 469335301 /nfs/dbraw/zinc/33/53/01/469335301.db2.gz KLHUYJQRKPXTIS-GOSISDBHSA-N 1 2 349.390 2.269 20 30 EEEDLO COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)Cc2ccccc21 ZINC000599677323 469335304 /nfs/dbraw/zinc/33/53/04/469335304.db2.gz KLHUYJQRKPXTIS-GOSISDBHSA-N 1 2 349.390 2.269 20 30 EEEDLO N#Cc1cc(NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)ccc1F ZINC000596726948 469344986 /nfs/dbraw/zinc/34/49/86/469344986.db2.gz TUPIFFCEPRKHHL-UHFFFAOYSA-N 1 2 346.406 2.273 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616132530 469377737 /nfs/dbraw/zinc/37/77/37/469377737.db2.gz NYWGVCUUXYKFQY-HUUCEWRRSA-N 1 2 344.434 2.287 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616132530 469377743 /nfs/dbraw/zinc/37/77/43/469377743.db2.gz NYWGVCUUXYKFQY-HUUCEWRRSA-N 1 2 344.434 2.287 20 30 EEEDLO N#Cc1cccc(OCCCn2cc[nH+]c2CN2CCOCC2)c1 ZINC000603421437 469390346 /nfs/dbraw/zinc/39/03/46/469390346.db2.gz WUXGTNNHSJGXOM-UHFFFAOYSA-N 1 2 326.400 2.056 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000613127584 469635468 /nfs/dbraw/zinc/63/54/68/469635468.db2.gz GKFDHAPVJGABLS-IAGOWNOFSA-N 1 2 334.508 2.189 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000609484694 469931760 /nfs/dbraw/zinc/93/17/60/469931760.db2.gz HRYXWLUVDSMQNB-GOSISDBHSA-N 1 2 328.460 2.054 20 30 EEEDLO N#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1ccc(Cl)cc1 ZINC000609589666 469945358 /nfs/dbraw/zinc/94/53/58/469945358.db2.gz DAONZVWGCWLOMD-CQSZACIVSA-N 1 2 338.758 2.310 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(Br)cc2F)nn1 ZINC000640797643 471033224 /nfs/dbraw/zinc/03/32/24/471033224.db2.gz CMIVPCVSIOZXPF-UHFFFAOYSA-N 1 2 337.196 2.341 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(c3cccc(Cl)c3)C2=O)nn1 ZINC000641105385 471202874 /nfs/dbraw/zinc/20/28/74/471202874.db2.gz RHCAVLBZTUTWQU-MRXNPFEDSA-N 1 2 343.818 2.022 20 30 EEEDLO CC#CC[NH2+]Cc1cn(CC2(O)CCC(c3ccccc3)CC2)nn1 ZINC000641224140 471247806 /nfs/dbraw/zinc/24/78/06/471247806.db2.gz VRYDCOYTTBXQPM-UHFFFAOYSA-N 1 2 338.455 2.480 20 30 EEEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccsc3C#N)CC2)C1 ZINC000595634000 485606796 /nfs/dbraw/zinc/60/67/96/485606796.db2.gz SFNDWWUYDWGWKI-GASCZTMLSA-N 1 2 346.500 2.246 20 30 EEEDLO Cc1cn2ccc(C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cc2[nH+]1 ZINC000602152214 485635669 /nfs/dbraw/zinc/63/56/69/485635669.db2.gz GOYRKLKZLOPANL-INIZCTEOSA-N 1 2 347.378 2.203 20 30 EEEDLO N#CC1(C[N@H+]2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)CC1 ZINC000355234013 485657211 /nfs/dbraw/zinc/65/72/11/485657211.db2.gz ILTTZVQQWXKPCZ-INIZCTEOSA-N 1 2 345.468 2.147 20 30 EEEDLO N#CC1(C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)CC1 ZINC000355234013 485657216 /nfs/dbraw/zinc/65/72/16/485657216.db2.gz ILTTZVQQWXKPCZ-INIZCTEOSA-N 1 2 345.468 2.147 20 30 EEEDLO CCO[C@H](C)c1nc(CN2CC[NH+](CC#CCOC)CC2)cs1 ZINC000677819918 486500021 /nfs/dbraw/zinc/50/00/21/486500021.db2.gz DECZGCXFNDRSDX-OAHLLOKOSA-N 1 2 337.489 2.008 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](c1nc(C)no1)C1CCOCC1 ZINC000370174664 527637155 /nfs/dbraw/zinc/63/71/55/527637155.db2.gz QLRLAISEKYJWMQ-BBRMVZONSA-N 1 2 348.447 2.024 20 30 EEEDLO CCCCNC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000078691709 528538168 /nfs/dbraw/zinc/53/81/68/528538168.db2.gz KAMHAUDQZKETJI-FUHWJXTLSA-N 1 2 328.460 2.174 20 30 EEEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000455694648 535186015 /nfs/dbraw/zinc/18/60/15/535186015.db2.gz XNFSOADKLIVYTH-SFHVURJKSA-N 1 2 341.455 2.106 20 30 EEEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000455694648 535186019 /nfs/dbraw/zinc/18/60/19/535186019.db2.gz XNFSOADKLIVYTH-SFHVURJKSA-N 1 2 341.455 2.106 20 30 EEEDLO CN(CC(C)(C)C#N)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452148813 536176471 /nfs/dbraw/zinc/17/64/71/536176471.db2.gz RPWBRAWDJALBLR-UHFFFAOYSA-N 1 2 327.344 2.402 20 30 EEEDLO CC(C)CCN=Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000727972141 576465095 /nfs/dbraw/zinc/46/50/95/576465095.db2.gz USLTWVRQBNXOEX-UHFFFAOYSA-N 1 2 338.477 2.067 20 30 EEEDLO C#Cc1ccc(C(=O)N(CCCCCC)CC[NH+]2CCOCC2)nc1 ZINC000728860666 576547737 /nfs/dbraw/zinc/54/77/37/576547737.db2.gz GXOOFLUFZVSPBZ-UHFFFAOYSA-N 1 2 343.471 2.418 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000732064974 577145400 /nfs/dbraw/zinc/14/54/00/577145400.db2.gz LQVJMDLCMBNCEF-SFHVURJKSA-N 1 2 339.439 2.235 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000732064974 577145401 /nfs/dbraw/zinc/14/54/01/577145401.db2.gz LQVJMDLCMBNCEF-SFHVURJKSA-N 1 2 339.439 2.235 20 30 EEEDLO COc1ccc(C[N@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)cc1F ZINC000734484262 577299800 /nfs/dbraw/zinc/29/98/00/577299800.db2.gz PIABAQWIFPBEHC-KRWDZBQOSA-N 1 2 327.359 2.364 20 30 EEEDLO COc1ccc(C[N@@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)cc1F ZINC000734484262 577299801 /nfs/dbraw/zinc/29/98/01/577299801.db2.gz PIABAQWIFPBEHC-KRWDZBQOSA-N 1 2 327.359 2.364 20 30 EEEDLO C#C[C@H](NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1)[C@@H]1CCCO1 ZINC000773215871 577323667 /nfs/dbraw/zinc/32/36/67/577323667.db2.gz VJVBCMVLITYKFN-IRXDYDNUSA-N 1 2 342.443 2.052 20 30 EEEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)[C@H]1CCCO1 ZINC000773553935 577350379 /nfs/dbraw/zinc/35/03/79/577350379.db2.gz DCIWRZCZBAYBDY-BHYGNILZSA-N 1 2 347.484 2.317 20 30 EEEDLO COC(=O)c1ccccc1N[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000776189819 577454149 /nfs/dbraw/zinc/45/41/49/577454149.db2.gz TXYWULIJKDEAAJ-UHFFFAOYSA-N 1 2 346.412 2.212 20 30 EEEDLO C[C@@H]1C[N@@H+](C2CC2)CC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[nH]1 ZINC000769806736 577584878 /nfs/dbraw/zinc/58/48/78/577584878.db2.gz BUSJIIKKVUJOIV-SNVBAGLBSA-N 1 2 343.435 2.169 20 30 EEEDLO C[C@@H]1C[N@H+](C2CC2)CC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[nH]1 ZINC000769806736 577584879 /nfs/dbraw/zinc/58/48/79/577584879.db2.gz BUSJIIKKVUJOIV-SNVBAGLBSA-N 1 2 343.435 2.169 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000769963011 577588037 /nfs/dbraw/zinc/58/80/37/577588037.db2.gz OTJJVBNDHKIFLY-NSHDSACASA-N 1 2 334.441 2.306 20 30 EEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000769963011 577588038 /nfs/dbraw/zinc/58/80/38/577588038.db2.gz OTJJVBNDHKIFLY-NSHDSACASA-N 1 2 334.441 2.306 20 30 EEEDLO CC(C)CO[C@H]1CC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000759405989 577642213 /nfs/dbraw/zinc/64/22/13/577642213.db2.gz MHBRHSGTTFWXEA-HNNXBMFYSA-N 1 2 340.427 2.167 20 30 EEEDLO CC(C)CO[C@H]1CC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000759405989 577642214 /nfs/dbraw/zinc/64/22/14/577642214.db2.gz MHBRHSGTTFWXEA-HNNXBMFYSA-N 1 2 340.427 2.167 20 30 EEEDLO C#Cc1ccc(C(=O)NCc2[nH+]ccn2CCc2ccccc2)nc1 ZINC000751418713 577752037 /nfs/dbraw/zinc/75/20/37/577752037.db2.gz PRUSXUFQUBLYOW-UHFFFAOYSA-N 1 2 330.391 2.432 20 30 EEEDLO C#Cc1ccc(C(=O)NCc2[nH+]ccn2CCc2ccccc2)cn1 ZINC000751418188 577752041 /nfs/dbraw/zinc/75/20/41/577752041.db2.gz MYTMCWILSMTMTR-UHFFFAOYSA-N 1 2 330.391 2.432 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000752003937 577764398 /nfs/dbraw/zinc/76/43/98/577764398.db2.gz DEHDOFSHMGMDOU-HIFRSBDPSA-N 1 2 330.432 2.392 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000752003937 577764399 /nfs/dbraw/zinc/76/43/99/577764399.db2.gz DEHDOFSHMGMDOU-HIFRSBDPSA-N 1 2 330.432 2.392 20 30 EEEDLO CCc1ccc(NC(=O)[C@@H](C#N)C(=O)C[N@@H+](C)[C@H]2CCSC2)cc1 ZINC000753951245 577797234 /nfs/dbraw/zinc/79/72/34/577797234.db2.gz SSHXKBDTDGHUGA-HOTGVXAUSA-N 1 2 345.468 2.334 20 30 EEEDLO Cc1nc(NCc2cccc(C(=O)Nc3cnn(CC#N)c3)c2)cc[nH+]1 ZINC000755203883 577821702 /nfs/dbraw/zinc/82/17/02/577821702.db2.gz VLZJAVBTNMAQGQ-UHFFFAOYSA-N 1 2 347.382 2.370 20 30 EEEDLO COCCCNC(=S)NN=Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000755523003 577826164 /nfs/dbraw/zinc/82/61/64/577826164.db2.gz BNRGNGRCWHEYQU-UHFFFAOYSA-N 1 2 331.445 2.015 20 30 EEEDLO COc1ccc(OCC2N=NC(=S)N2N=Cc2[nH+]c[nH]c2C)cc1 ZINC000755530853 577826413 /nfs/dbraw/zinc/82/64/13/577826413.db2.gz JDXGYHQYLJWKLG-UHFFFAOYSA-N 1 2 344.400 2.068 20 30 EEEDLO COc1ccc(CC2N=NC(=S)N2N=Cc2[nH+]c[nH]c2C)cc1 ZINC000755606738 577827773 /nfs/dbraw/zinc/82/77/73/577827773.db2.gz QCUQLAVMYLDRPY-UHFFFAOYSA-N 1 2 328.401 2.080 20 30 EEEDLO C[C@H]1SCC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)[C@@H]1C ZINC000744407745 577897374 /nfs/dbraw/zinc/89/73/74/577897374.db2.gz QQGGNJAJBVVURP-CHWSQXEVSA-N 1 2 328.441 2.246 20 30 EEEDLO C[C@H]1SCC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)[C@@H]1C ZINC000744407745 577897375 /nfs/dbraw/zinc/89/73/75/577897375.db2.gz QQGGNJAJBVVURP-CHWSQXEVSA-N 1 2 328.441 2.246 20 30 EEEDLO CN(CCC#N)c1ccc(C=[NH+]NC(=S)NCC(F)(F)F)cc1 ZINC000746496995 577928850 /nfs/dbraw/zinc/92/88/50/577928850.db2.gz RHBMKQZLAMNJMR-UHFFFAOYSA-N 1 2 343.378 2.397 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc(OCC)cc2)CC1 ZINC000735940907 578173381 /nfs/dbraw/zinc/17/33/81/578173381.db2.gz VDOPJLOXYLVSQM-UHFFFAOYSA-N 1 2 329.396 2.156 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000969179966 674669676 /nfs/dbraw/zinc/66/96/76/674669676.db2.gz BCDYUSTWKFZSFX-GFCCVEGCSA-N 1 2 331.803 2.085 20 30 EEEDLO C[C@@H](NC(=O)c1ccccn1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969199577 674688466 /nfs/dbraw/zinc/68/84/66/674688466.db2.gz VIACCIPAYBBCRN-CYBMUJFWSA-N 1 2 338.386 2.343 20 30 EEEDLO C[C@@H](NC(=O)[C@@H]1CCCCO1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969483405 675067190 /nfs/dbraw/zinc/06/71/90/675067190.db2.gz NROSLXLHUPFREJ-ACJLOTCBSA-N 1 2 345.418 2.203 20 30 EEEDLO C[C@H](NC(=O)[C@@H]1CCCCO1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969483430 675067208 /nfs/dbraw/zinc/06/72/08/675067208.db2.gz NYFYAXVGMOJKFR-UGSOOPFHSA-N 1 2 345.418 2.203 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ncoc2C(C)C)C1 ZINC000970446821 675901559 /nfs/dbraw/zinc/90/15/59/675901559.db2.gz JWCZFCPOPLAZMB-LXZKKBNFSA-N 1 2 347.459 2.326 20 30 EEEDLO CCc1oncc1C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970515295 675953007 /nfs/dbraw/zinc/95/30/07/675953007.db2.gz HKDWZLJYEOIFCA-ZDUSSCGKSA-N 1 2 338.411 2.359 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](Cc3ncc(C)s3)C2)cn1 ZINC000970765938 676133530 /nfs/dbraw/zinc/13/35/30/676133530.db2.gz HSXTYPRPZONDRC-CYBMUJFWSA-N 1 2 340.452 2.078 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(OCC)s2)C1 ZINC000969831100 675236059 /nfs/dbraw/zinc/23/60/59/675236059.db2.gz ANNSXKKSMWTOKO-WBMJQRKESA-N 1 2 338.477 2.230 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cn(C)nc2C(F)F)C1 ZINC000969855332 675257645 /nfs/dbraw/zinc/25/76/45/675257645.db2.gz OPEMIYNXSBWQKK-SECBINFHSA-N 1 2 332.782 2.160 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnn3ccc(C)cc23)C1 ZINC000969887600 675283457 /nfs/dbraw/zinc/28/34/57/675283457.db2.gz JXIOZTHWJIBCDA-CYBMUJFWSA-N 1 2 332.835 2.445 20 30 EEEDLO C[C@H](NC(=O)c1ccsn1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969930530 675316667 /nfs/dbraw/zinc/31/66/67/675316667.db2.gz CGCODACEHWHOKG-LBPRGKRZSA-N 1 2 326.425 2.265 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@]3(CC[N@@H+](Cc4cnn(CC)n4)C3)C2)C1 ZINC001041657634 675785886 /nfs/dbraw/zinc/78/58/86/675785886.db2.gz QXBIVYJPKBUTAB-IBGZPJMESA-N 1 2 343.475 2.079 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@]3(CC[N@H+](Cc4cnn(CC)n4)C3)C2)C1 ZINC001041657634 675785888 /nfs/dbraw/zinc/78/58/88/675785888.db2.gz QXBIVYJPKBUTAB-IBGZPJMESA-N 1 2 343.475 2.079 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001067501853 676379870 /nfs/dbraw/zinc/37/98/70/676379870.db2.gz WUGMYMCQAVIEJS-HNNXBMFYSA-N 1 2 348.491 2.498 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001067501853 676379872 /nfs/dbraw/zinc/37/98/72/676379872.db2.gz WUGMYMCQAVIEJS-HNNXBMFYSA-N 1 2 348.491 2.498 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(C)c(C)s3)CC2)C1 ZINC000949523671 676579146 /nfs/dbraw/zinc/57/91/46/676579146.db2.gz YPTBRSRHPKGQIL-UHFFFAOYSA-N 1 2 332.469 2.305 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc(C)c(C)s3)CC2)C1 ZINC000949523671 676579147 /nfs/dbraw/zinc/57/91/47/676579147.db2.gz YPTBRSRHPKGQIL-UHFFFAOYSA-N 1 2 332.469 2.305 20 30 EEEDLO Cn1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c(C2CC2)n1 ZINC000891495067 676675275 /nfs/dbraw/zinc/67/52/75/676675275.db2.gz KFNUZSCIBKASRM-UHFFFAOYSA-N 1 2 335.455 2.487 20 30 EEEDLO COCC[N@H+](Cc1c2c(nn1C)CCOC2)Cc1ccc(C#N)cc1 ZINC000891681962 676771967 /nfs/dbraw/zinc/77/19/67/676771967.db2.gz ZOTBDWBQCRWKEE-UHFFFAOYSA-N 1 2 340.427 2.013 20 30 EEEDLO COCC[N@@H+](Cc1c2c(nn1C)CCOC2)Cc1ccc(C#N)cc1 ZINC000891681962 676771969 /nfs/dbraw/zinc/77/19/69/676771969.db2.gz ZOTBDWBQCRWKEE-UHFFFAOYSA-N 1 2 340.427 2.013 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CCc2ccon2)C1 ZINC000971942600 677864966 /nfs/dbraw/zinc/86/49/66/677864966.db2.gz FYKOWHNPDCEZGR-ZDUSSCGKSA-N 1 2 342.237 2.049 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)CCc2ccon2)C1 ZINC000971942600 677864968 /nfs/dbraw/zinc/86/49/68/677864968.db2.gz FYKOWHNPDCEZGR-ZDUSSCGKSA-N 1 2 342.237 2.049 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+](Cc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000949667145 678579548 /nfs/dbraw/zinc/57/95/48/678579548.db2.gz NMHNRJKULHYQTL-UHFFFAOYSA-N 1 2 343.471 2.245 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Oc3cccc(F)c3)C2)C1 ZINC000972389008 678667993 /nfs/dbraw/zinc/66/79/93/678667993.db2.gz BLGLOPBQILPDQY-DNVCBOLYSA-N 1 2 348.418 2.082 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Oc3cccc(F)c3)C2)C1 ZINC000972389008 678667997 /nfs/dbraw/zinc/66/79/97/678667997.db2.gz BLGLOPBQILPDQY-DNVCBOLYSA-N 1 2 348.418 2.082 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)c3ccncc3)C2)C1 ZINC000972435743 678738070 /nfs/dbraw/zinc/73/80/70/678738070.db2.gz QIFWVLKGVZLNCM-QFBILLFUSA-N 1 2 329.444 2.065 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)c3ccncc3)C2)C1 ZINC000972435743 678738075 /nfs/dbraw/zinc/73/80/75/678738075.db2.gz QIFWVLKGVZLNCM-QFBILLFUSA-N 1 2 329.444 2.065 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnc4ccccc43)C2)C1 ZINC000972455759 678779685 /nfs/dbraw/zinc/77/96/85/678779685.db2.gz IXNAFANTZOIVFC-OAQYLSRUSA-N 1 2 349.434 2.175 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnc4ccccc43)C2)C1 ZINC000972455759 678779687 /nfs/dbraw/zinc/77/96/87/678779687.db2.gz IXNAFANTZOIVFC-OAQYLSRUSA-N 1 2 349.434 2.175 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H](CNC(=O)c2cc(C)on2)C1 ZINC001023219188 679182689 /nfs/dbraw/zinc/18/26/89/679182689.db2.gz NGJZAGNSKCCNRH-GFCCVEGCSA-N 1 2 342.237 2.333 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C)on2)C1 ZINC001023219188 679182692 /nfs/dbraw/zinc/18/26/92/679182692.db2.gz NGJZAGNSKCCNRH-GFCCVEGCSA-N 1 2 342.237 2.333 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(OC)cc3C)C2)C1 ZINC000972529115 679183458 /nfs/dbraw/zinc/18/34/58/679183458.db2.gz YSINVQVJQPVVJX-IBGZPJMESA-N 1 2 330.428 2.107 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(OC)cc3C)C2)C1 ZINC000972529115 679183459 /nfs/dbraw/zinc/18/34/59/679183459.db2.gz YSINVQVJQPVVJX-IBGZPJMESA-N 1 2 330.428 2.107 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)cs2)C1 ZINC000972529196 679183562 /nfs/dbraw/zinc/18/35/62/679183562.db2.gz GTOQNXMLEAKOGW-ZOBUZTSGSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)cs2)C1 ZINC000972529196 679183566 /nfs/dbraw/zinc/18/35/66/679183566.db2.gz GTOQNXMLEAKOGW-ZOBUZTSGSA-N 1 2 349.500 2.465 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](F)c3ccccc3)C2)C1 ZINC000972577322 679339702 /nfs/dbraw/zinc/33/97/02/679339702.db2.gz KADBXBHAQOWQSR-MJGOQNOKSA-N 1 2 330.403 2.024 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](F)c3ccccc3)C2)C1 ZINC000972577322 679339704 /nfs/dbraw/zinc/33/97/04/679339704.db2.gz KADBXBHAQOWQSR-MJGOQNOKSA-N 1 2 330.403 2.024 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3csc(C(C)C)n3)C2)C1 ZINC000972598235 679398699 /nfs/dbraw/zinc/39/86/99/679398699.db2.gz CDBMMBALXXVNME-GOSISDBHSA-N 1 2 347.484 2.207 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3csc(C(C)C)n3)C2)C1 ZINC000972598235 679398700 /nfs/dbraw/zinc/39/87/00/679398700.db2.gz CDBMMBALXXVNME-GOSISDBHSA-N 1 2 347.484 2.207 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C)c(C)c3)C2)C1 ZINC000972662525 679531178 /nfs/dbraw/zinc/53/11/78/679531178.db2.gz QKWPMWMSOJRZEO-HXUWFJFHSA-N 1 2 326.440 2.244 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C)c(C)c3)C2)C1 ZINC000972662525 679531182 /nfs/dbraw/zinc/53/11/82/679531182.db2.gz QKWPMWMSOJRZEO-HXUWFJFHSA-N 1 2 326.440 2.244 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)n3c(C)ccc3C)C2)C1 ZINC000972689387 679607261 /nfs/dbraw/zinc/60/72/61/679607261.db2.gz XAKUWBJZODHCRJ-HKUYNNGSSA-N 1 2 331.460 2.155 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)n3c(C)ccc3C)C2)C1 ZINC000972689387 679607262 /nfs/dbraw/zinc/60/72/62/679607262.db2.gz XAKUWBJZODHCRJ-HKUYNNGSSA-N 1 2 331.460 2.155 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Cc3ccc(F)cc3)C2)C1 ZINC000972694325 679617821 /nfs/dbraw/zinc/61/78/21/679617821.db2.gz AUPNHAIVXLSQGE-OXQOHEQNSA-N 1 2 346.446 2.494 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Cc3ccc(F)cc3)C2)C1 ZINC000972694325 679617825 /nfs/dbraw/zinc/61/78/25/679617825.db2.gz AUPNHAIVXLSQGE-OXQOHEQNSA-N 1 2 346.446 2.494 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)CC(=C)Br)C2)nc1 ZINC000972752752 679746926 /nfs/dbraw/zinc/74/69/26/679746926.db2.gz OGOFZESXWMAKFL-AWEZNQCLSA-N 1 2 348.244 2.118 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CC(=C)Br)C2)nc1 ZINC000972752752 679746928 /nfs/dbraw/zinc/74/69/28/679746928.db2.gz OGOFZESXWMAKFL-AWEZNQCLSA-N 1 2 348.244 2.118 20 30 EEEDLO Cc1cnc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)cn1 ZINC001024312768 679870959 /nfs/dbraw/zinc/87/09/59/679870959.db2.gz NULAFLYXPWWCMY-GOSISDBHSA-N 1 2 349.438 2.441 20 30 EEEDLO Cc1cnc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)cn1 ZINC001024312768 679870960 /nfs/dbraw/zinc/87/09/60/679870960.db2.gz NULAFLYXPWWCMY-GOSISDBHSA-N 1 2 349.438 2.441 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccn(C)n2)cc1 ZINC001024590967 681251147 /nfs/dbraw/zinc/25/11/47/681251147.db2.gz ZLLPOEGIMDKSSJ-LJQANCHMSA-N 1 2 336.439 2.186 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccn(C)n2)cc1 ZINC001024590967 681251156 /nfs/dbraw/zinc/25/11/56/681251156.db2.gz ZLLPOEGIMDKSSJ-LJQANCHMSA-N 1 2 336.439 2.186 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001024661097 681324858 /nfs/dbraw/zinc/32/48/58/681324858.db2.gz YYCCGVWHKRLURD-RBSFLKMASA-N 1 2 336.867 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001024661097 681324862 /nfs/dbraw/zinc/32/48/62/681324862.db2.gz YYCCGVWHKRLURD-RBSFLKMASA-N 1 2 336.867 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001028600229 681343709 /nfs/dbraw/zinc/34/37/09/681343709.db2.gz DOVGEEKWTPWUPD-JTQLQIEISA-N 1 2 331.247 2.430 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001028600229 681343713 /nfs/dbraw/zinc/34/37/13/681343713.db2.gz DOVGEEKWTPWUPD-JTQLQIEISA-N 1 2 331.247 2.430 20 30 EEEDLO C[C@H]1C[C@H](C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)CCO1 ZINC000982965639 681588779 /nfs/dbraw/zinc/58/87/79/681588779.db2.gz AYUJKSAEOUQIQM-AZUAARDMSA-N 1 2 340.467 2.388 20 30 EEEDLO C[C@H]1C[C@H](C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)CCO1 ZINC000982965639 681588781 /nfs/dbraw/zinc/58/87/81/681588781.db2.gz AYUJKSAEOUQIQM-AZUAARDMSA-N 1 2 340.467 2.388 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)o1 ZINC000973049019 681935569 /nfs/dbraw/zinc/93/55/69/681935569.db2.gz WNSJRXLVPORZJD-WFASDCNBSA-N 1 2 341.415 2.384 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)o1 ZINC000973049019 681935572 /nfs/dbraw/zinc/93/55/72/681935572.db2.gz WNSJRXLVPORZJD-WFASDCNBSA-N 1 2 341.415 2.384 20 30 EEEDLO CC[C@@H](OC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(F)cc1 ZINC001029236108 683651052 /nfs/dbraw/zinc/65/10/52/683651052.db2.gz NPDWHDKBXRRIRP-CEXWTWQISA-N 1 2 344.430 2.277 20 30 EEEDLO CC[C@@H](OC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001029236108 683651055 /nfs/dbraw/zinc/65/10/55/683651055.db2.gz NPDWHDKBXRRIRP-CEXWTWQISA-N 1 2 344.430 2.277 20 30 EEEDLO Cc1cc(C)c(C(=O)NC[C@@H]2CCCCN2C(=O)[C@@H](C)C#N)c(C)[nH+]1 ZINC000937467094 683708202 /nfs/dbraw/zinc/70/82/02/683708202.db2.gz MGSQIMQGSGZDCE-BBRMVZONSA-N 1 2 342.443 2.277 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](Cc2cccc(N(C)C)c2)C1 ZINC001031088420 683711848 /nfs/dbraw/zinc/71/18/48/683711848.db2.gz VPMRQTPYJUUMGZ-OALUTQOASA-N 1 2 343.471 2.034 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]1Cc1cc(C)ns1 ZINC001038346261 683744155 /nfs/dbraw/zinc/74/41/55/683744155.db2.gz VMURCSRJQDGAGB-CQSZACIVSA-N 1 2 330.457 2.443 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]1Cc1cc(C)ns1 ZINC001038346261 683744158 /nfs/dbraw/zinc/74/41/58/683744158.db2.gz VMURCSRJQDGAGB-CQSZACIVSA-N 1 2 330.457 2.443 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nc(CC)no4)C[C@H]32)CC1 ZINC000978684565 693800050 /nfs/dbraw/zinc/80/00/50/693800050.db2.gz ADXNJFNBDSMVKE-PHZGNYQRSA-N 1 2 344.459 2.172 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nc(CC)no4)C[C@H]32)CC1 ZINC000978684565 693800054 /nfs/dbraw/zinc/80/00/54/693800054.db2.gz ADXNJFNBDSMVKE-PHZGNYQRSA-N 1 2 344.459 2.172 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cncn1C ZINC001029322953 683983723 /nfs/dbraw/zinc/98/37/23/683983723.db2.gz JEACZXBRBAVZKY-OKILXGFUSA-N 1 2 336.867 2.374 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cncn1C ZINC001029322953 683983729 /nfs/dbraw/zinc/98/37/29/683983729.db2.gz JEACZXBRBAVZKY-OKILXGFUSA-N 1 2 336.867 2.374 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1c[nH+]cn1C ZINC001029322953 683983732 /nfs/dbraw/zinc/98/37/32/683983732.db2.gz JEACZXBRBAVZKY-OKILXGFUSA-N 1 2 336.867 2.374 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3cscn3)C2)nc1 ZINC001027656517 693814417 /nfs/dbraw/zinc/81/44/17/693814417.db2.gz RXVZDZWUIGWBNB-MRXNPFEDSA-N 1 2 340.452 2.256 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3cscn3)C2)nc1 ZINC001027656517 693814422 /nfs/dbraw/zinc/81/44/22/693814422.db2.gz RXVZDZWUIGWBNB-MRXNPFEDSA-N 1 2 340.452 2.256 20 30 EEEDLO C[C@H]1CO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)C1 ZINC001029399633 684232779 /nfs/dbraw/zinc/23/27/79/684232779.db2.gz TXBVXCAQHAVLDB-RSPOEFSDSA-N 1 2 338.451 2.138 20 30 EEEDLO C[C@H]1CO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)C1 ZINC001029399633 684232780 /nfs/dbraw/zinc/23/27/80/684232780.db2.gz TXBVXCAQHAVLDB-RSPOEFSDSA-N 1 2 338.451 2.138 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000984603573 684861932 /nfs/dbraw/zinc/86/19/32/684861932.db2.gz JQRIEXTUUISSGT-KBXCAEBGSA-N 1 2 332.448 2.004 20 30 EEEDLO CC#CC[N@H+]1C[C@H](NC(=O)c2cnc([C@H](C)OC)s2)C(C)(C)C1 ZINC000974591834 685108374 /nfs/dbraw/zinc/10/83/74/685108374.db2.gz LQHTZFIQMSKAPE-JSGCOSHPSA-N 1 2 335.473 2.314 20 30 EEEDLO CC#CC[N@@H+]1C[C@H](NC(=O)c2cnc([C@H](C)OC)s2)C(C)(C)C1 ZINC000974591834 685108380 /nfs/dbraw/zinc/10/83/80/685108380.db2.gz LQHTZFIQMSKAPE-JSGCOSHPSA-N 1 2 335.473 2.314 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccc3n[nH]nc32)C(C)(C)C1 ZINC000974636321 685154885 /nfs/dbraw/zinc/15/48/85/685154885.db2.gz ILLXLVDIWADBBM-ZDUSSCGKSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc3n[nH]nc32)C(C)(C)C1 ZINC000974636321 685154886 /nfs/dbraw/zinc/15/48/86/685154886.db2.gz ILLXLVDIWADBBM-ZDUSSCGKSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnc3nccnc3c2)C(C)(C)C1 ZINC000974692460 685252531 /nfs/dbraw/zinc/25/25/31/685252531.db2.gz SXZUGJPAVDYOTE-AWEZNQCLSA-N 1 2 345.834 2.218 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnc3nccnc3c2)C(C)(C)C1 ZINC000974692460 685252533 /nfs/dbraw/zinc/25/25/33/685252533.db2.gz SXZUGJPAVDYOTE-AWEZNQCLSA-N 1 2 345.834 2.218 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001027331091 687507773 /nfs/dbraw/zinc/50/77/73/687507773.db2.gz ZTWBWYRUMQDMIJ-UONOGXRCSA-N 1 2 330.432 2.136 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001027331091 687507778 /nfs/dbraw/zinc/50/77/78/687507778.db2.gz ZTWBWYRUMQDMIJ-UONOGXRCSA-N 1 2 330.432 2.136 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)c(C)o1 ZINC001027372227 687767561 /nfs/dbraw/zinc/76/75/61/687767561.db2.gz PGFGDUGLWZMNBV-OAHLLOKOSA-N 1 2 341.415 2.228 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)c(C)o1 ZINC001027372227 687767570 /nfs/dbraw/zinc/76/75/70/687767570.db2.gz PGFGDUGLWZMNBV-OAHLLOKOSA-N 1 2 341.415 2.228 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2ccon2)c(F)c1 ZINC001027766646 694411002 /nfs/dbraw/zinc/41/10/02/694411002.db2.gz SGJBJGNDFUHNAE-CQSZACIVSA-N 1 2 328.347 2.080 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)c2ccon2)c(F)c1 ZINC001027766646 694411007 /nfs/dbraw/zinc/41/10/07/694411007.db2.gz SGJBJGNDFUHNAE-CQSZACIVSA-N 1 2 328.347 2.080 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)c1cscn1 ZINC001027782606 694462792 /nfs/dbraw/zinc/46/27/92/694462792.db2.gz VGUJUFWQQVFDBA-OAHLLOKOSA-N 1 2 326.425 2.409 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)c1cscn1 ZINC001027782606 694462797 /nfs/dbraw/zinc/46/27/97/694462797.db2.gz VGUJUFWQQVFDBA-OAHLLOKOSA-N 1 2 326.425 2.409 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000989638806 692113075 /nfs/dbraw/zinc/11/30/75/692113075.db2.gz OTJJHOHWITYWRY-WFASDCNBSA-N 1 2 345.834 2.417 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(-c3ccco3)s2)C(C)(C)C1 ZINC000977484597 692672136 /nfs/dbraw/zinc/67/21/36/692672136.db2.gz IZSZMQGNHXJARX-CQSZACIVSA-N 1 2 329.425 2.477 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc(-c3ccco3)s2)C(C)(C)C1 ZINC000977484597 692672138 /nfs/dbraw/zinc/67/21/38/692672138.db2.gz IZSZMQGNHXJARX-CQSZACIVSA-N 1 2 329.425 2.477 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnn3ccc(C)nc23)C(C)(C)C1 ZINC000977488634 692675919 /nfs/dbraw/zinc/67/59/19/692675919.db2.gz RLYQZKHPZRIBLL-CQSZACIVSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnn3ccc(C)nc23)C(C)(C)C1 ZINC000977488634 692675922 /nfs/dbraw/zinc/67/59/22/692675922.db2.gz RLYQZKHPZRIBLL-CQSZACIVSA-N 1 2 347.850 2.230 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@@H]23)co1 ZINC000990159139 692704880 /nfs/dbraw/zinc/70/48/80/692704880.db2.gz BQTCRGKPBGWHQI-SJLPKXTDSA-N 1 2 339.399 2.110 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@@H]23)co1 ZINC000990159139 692704883 /nfs/dbraw/zinc/70/48/83/692704883.db2.gz BQTCRGKPBGWHQI-SJLPKXTDSA-N 1 2 339.399 2.110 20 30 EEEDLO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 ZINC001027589813 693329100 /nfs/dbraw/zinc/32/91/00/693329100.db2.gz YJPCIAOETCXPOG-CYBMUJFWSA-N 1 2 328.441 2.308 20 30 EEEDLO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 ZINC001027589813 693329105 /nfs/dbraw/zinc/32/91/05/693329105.db2.gz YJPCIAOETCXPOG-CYBMUJFWSA-N 1 2 328.441 2.308 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)c[nH+]1 ZINC000898586571 693385843 /nfs/dbraw/zinc/38/58/43/693385843.db2.gz MASVNFRAZWXARD-IBGZPJMESA-N 1 2 337.427 2.406 20 30 EEEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3cc(Cl)ccc3F)C2)OCC1=O ZINC001272725499 1192313048 /nfs/dbraw/zinc/31/30/48/1192313048.db2.gz GKMCKSYQLOOYLN-QGZVFWFLSA-N 1 2 338.810 2.468 20 30 EEEDLO C=CCN1C[C@]2(CC[N@H+](Cc3cc(Cl)ccc3F)C2)OCC1=O ZINC001272725499 1192313052 /nfs/dbraw/zinc/31/30/52/1192313052.db2.gz GKMCKSYQLOOYLN-QGZVFWFLSA-N 1 2 338.810 2.468 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cccc(NC(C)=O)c2C)C1 ZINC001032130221 1192747694 /nfs/dbraw/zinc/74/76/94/1192747694.db2.gz YSDXYEMUUCXOLD-UHFFFAOYSA-N 1 2 335.835 2.368 20 30 EEEDLO Cc1cc(NC(=O)N2CCC(c3c[nH+]cn3C)CC2)nn1CCC#N ZINC001649260255 1181699547 /nfs/dbraw/zinc/69/95/47/1181699547.db2.gz JJWGRDJBOQZWEF-UHFFFAOYSA-N 1 2 341.419 2.250 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ncnn2C)C1 ZINC001752508381 1181914879 /nfs/dbraw/zinc/91/48/79/1181914879.db2.gz SDRRWCVYQBLJGB-HNNXBMFYSA-N 1 2 333.480 2.088 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H](C[N@H+](C)Cc2ncnn2C)C1 ZINC001752508381 1181914884 /nfs/dbraw/zinc/91/48/84/1181914884.db2.gz SDRRWCVYQBLJGB-HNNXBMFYSA-N 1 2 333.480 2.088 20 30 EEEDLO C[C@]1(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)CCCOC1 ZINC001481652219 1182125631 /nfs/dbraw/zinc/12/56/31/1182125631.db2.gz MSDHUNFAYRZJEU-IBGZPJMESA-N 1 2 345.418 2.062 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001269158612 1184013124 /nfs/dbraw/zinc/01/31/24/1184013124.db2.gz WSSORRIPIILIFZ-CRAIPNDOSA-N 1 2 330.432 2.004 20 30 EEEDLO C=CCNC(=O)[C@@H]1CC12CCN(C(=O)c1c[nH]c3cc[nH+]cc13)CC2 ZINC001270138964 1184875808 /nfs/dbraw/zinc/87/58/08/1184875808.db2.gz NOHIJXXFLJFAEL-HNNXBMFYSA-N 1 2 338.411 2.107 20 30 EEEDLO CCn1ccnc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C#N)cc1 ZINC001271561544 1186312249 /nfs/dbraw/zinc/31/22/49/1186312249.db2.gz FQJFWAHSEWNVBZ-ROUUACIJSA-N 1 2 349.438 2.264 20 30 EEEDLO CCn1ccnc1C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C#N)cc1 ZINC001271561544 1186312253 /nfs/dbraw/zinc/31/22/53/1186312253.db2.gz FQJFWAHSEWNVBZ-ROUUACIJSA-N 1 2 349.438 2.264 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1CCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001105651072 1188367765 /nfs/dbraw/zinc/36/77/65/1188367765.db2.gz IXFFXZCSNLTMBH-HOTGVXAUSA-N 1 2 332.448 2.465 20 30 EEEDLO Cn1cc(C[N@@H+]2CCC[C@]23CCN(CC(F)(F)F)C3=O)cc1C#N ZINC001272821537 1193561511 /nfs/dbraw/zinc/56/15/11/1193561511.db2.gz MVOVLUHVZLFZAJ-OAHLLOKOSA-N 1 2 340.349 2.026 20 30 EEEDLO Cn1cc(C[N@H+]2CCC[C@]23CCN(CC(F)(F)F)C3=O)cc1C#N ZINC001272821537 1193561514 /nfs/dbraw/zinc/56/15/14/1193561514.db2.gz MVOVLUHVZLFZAJ-OAHLLOKOSA-N 1 2 340.349 2.026 20 30 EEEDLO CCN(C(=O)C#CC1CC1)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001126813438 1188439143 /nfs/dbraw/zinc/43/91/43/1188439143.db2.gz VVDOUWLRIXQCGP-QGZVFWFLSA-N 1 2 326.444 2.406 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn3c2nc(C)cc3C)[C@H]1C ZINC001088787750 1188512864 /nfs/dbraw/zinc/51/28/64/1188512864.db2.gz AOPOQKMNAVGTNI-HIFRSBDPSA-N 1 2 347.850 2.291 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn3c2nc(C)cc3C)[C@H]1C ZINC001088787750 1188512865 /nfs/dbraw/zinc/51/28/65/1188512865.db2.gz AOPOQKMNAVGTNI-HIFRSBDPSA-N 1 2 347.850 2.291 20 30 EEEDLO O=C(C#CC1CC1)NCC[NH2+]Cc1c(F)c(F)c(F)c(F)c1F ZINC001126881204 1188548652 /nfs/dbraw/zinc/54/86/52/1188548652.db2.gz MPCRPLBMDRMTAM-UHFFFAOYSA-N 1 2 332.272 2.001 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4nonc4c3)[C@@H]2C1 ZINC001076200355 1188774962 /nfs/dbraw/zinc/77/49/62/1188774962.db2.gz RITDEYVOTQTBLM-SWLSCSKDSA-N 1 2 332.791 2.122 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4nonc4c3)[C@@H]2C1 ZINC001076200355 1188774967 /nfs/dbraw/zinc/77/49/67/1188774967.db2.gz RITDEYVOTQTBLM-SWLSCSKDSA-N 1 2 332.791 2.122 20 30 EEEDLO C=CCC1(C(=O)N[C@@H](C)CCNC(=O)CCc2[nH]cc[nH+]2)CCCC1 ZINC001076320654 1188852343 /nfs/dbraw/zinc/85/23/43/1188852343.db2.gz QSWLFWAFUGYCPW-HNNXBMFYSA-N 1 2 346.475 2.490 20 30 EEEDLO CC(C)C#CC(=O)NCC[C@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001076410625 1188898752 /nfs/dbraw/zinc/89/87/52/1188898752.db2.gz VKPPROZIVOHWLS-DLBZAZTESA-N 1 2 346.475 2.141 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3csc(COC)n3)[C@@H]2C1 ZINC001076629902 1189057375 /nfs/dbraw/zinc/05/73/75/1189057375.db2.gz BZLKYRVPILBOHN-WCQYABFASA-N 1 2 341.864 2.188 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3csc(COC)n3)[C@@H]2C1 ZINC001076629902 1189057379 /nfs/dbraw/zinc/05/73/79/1189057379.db2.gz BZLKYRVPILBOHN-WCQYABFASA-N 1 2 341.864 2.188 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC001077171366 1189374791 /nfs/dbraw/zinc/37/47/91/1189374791.db2.gz YAYGTVHRLWETBZ-HNNXBMFYSA-N 1 2 334.464 2.277 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCC[C@@H]2NC(=O)CCc2c[nH]c[nH+]2)nc1 ZINC001105693452 1189561755 /nfs/dbraw/zinc/56/17/55/1189561755.db2.gz GBLRIESASQPXLW-ZBFHGGJFSA-N 1 2 338.415 2.006 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCC[C@@H]2NC(=O)CCc2c[nH+]c[nH]2)nc1 ZINC001105693452 1189561758 /nfs/dbraw/zinc/56/17/58/1189561758.db2.gz GBLRIESASQPXLW-ZBFHGGJFSA-N 1 2 338.415 2.006 20 30 EEEDLO C[C@@H](C[N@H+](C)Cc1cnc(Cl)s1)NC(=O)c1cc(C#N)c[nH]1 ZINC001483323210 1190348587 /nfs/dbraw/zinc/34/85/87/1190348587.db2.gz HKEBTIMDYDBQOG-VIFPVBQESA-N 1 2 337.836 2.247 20 30 EEEDLO C[C@@H](C[N@@H+](C)Cc1cnc(Cl)s1)NC(=O)c1cc(C#N)c[nH]1 ZINC001483323210 1190348591 /nfs/dbraw/zinc/34/85/91/1190348591.db2.gz HKEBTIMDYDBQOG-VIFPVBQESA-N 1 2 337.836 2.247 20 30 EEEDLO CCCCN1C[C@@]2(CC[N@H+](Cc3ccc(F)cc3C#N)C2)OCC1=O ZINC001272389562 1190798489 /nfs/dbraw/zinc/79/84/89/1190798489.db2.gz YWSRENLDVCKJMF-IBGZPJMESA-N 1 2 345.418 2.301 20 30 EEEDLO CCCCN1C[C@@]2(CC[N@@H+](Cc3ccc(F)cc3C#N)C2)OCC1=O ZINC001272389562 1190798491 /nfs/dbraw/zinc/79/84/91/1190798491.db2.gz YWSRENLDVCKJMF-IBGZPJMESA-N 1 2 345.418 2.301 20 30 EEEDLO CC(C)Cc1noc(C[NH+]2CCC(C)(CNC(=O)[C@H](C)C#N)CC2)n1 ZINC001484132852 1191231569 /nfs/dbraw/zinc/23/15/69/1191231569.db2.gz YEPPXDIHTPQYBE-CQSZACIVSA-N 1 2 347.463 2.146 20 30 EEEDLO Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001014674575 1224161723 /nfs/dbraw/zinc/16/17/23/1224161723.db2.gz RDBIIGWHPWJNFL-OAHLLOKOSA-N 1 2 342.830 2.227 20 30 EEEDLO Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001014674575 1224161728 /nfs/dbraw/zinc/16/17/28/1224161728.db2.gz RDBIIGWHPWJNFL-OAHLLOKOSA-N 1 2 342.830 2.227 20 30 EEEDLO COCC[N@H+](CCNC(=O)C1CCCC1)Cc1ccc(C#N)cc1F ZINC001486426099 1193940876 /nfs/dbraw/zinc/94/08/76/1193940876.db2.gz YRRCTTJZKNNNCK-UHFFFAOYSA-N 1 2 347.434 2.452 20 30 EEEDLO COCC[N@@H+](CCNC(=O)C1CCCC1)Cc1ccc(C#N)cc1F ZINC001486426099 1193940879 /nfs/dbraw/zinc/94/08/79/1193940879.db2.gz YRRCTTJZKNNNCK-UHFFFAOYSA-N 1 2 347.434 2.452 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2n[nH]c3c2C[C@H](C)CC3)C1 ZINC001033538910 1194709140 /nfs/dbraw/zinc/70/91/40/1194709140.db2.gz XIMFDLKOXHYZIC-YPMHNXCESA-N 1 2 336.867 2.433 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]c3c2C[C@H](C)CC3)C1 ZINC001033538910 1194709142 /nfs/dbraw/zinc/70/91/42/1194709142.db2.gz XIMFDLKOXHYZIC-YPMHNXCESA-N 1 2 336.867 2.433 20 30 EEEDLO Cc1conc1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033565434 1194718744 /nfs/dbraw/zinc/71/87/44/1194718744.db2.gz FFDSTSUGZONZGK-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1conc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033565434 1194718745 /nfs/dbraw/zinc/71/87/45/1194718745.db2.gz FFDSTSUGZONZGK-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1conc1C(=O)N(C)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033562430 1194732947 /nfs/dbraw/zinc/73/29/47/1194732947.db2.gz KRBLOOGKANQOTF-QGZVFWFLSA-N 1 2 341.386 2.320 20 30 EEEDLO Cc1conc1C(=O)N(C)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033562430 1194732951 /nfs/dbraw/zinc/73/29/51/1194732951.db2.gz KRBLOOGKANQOTF-QGZVFWFLSA-N 1 2 341.386 2.320 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+]([C@@H](C)c3ncc(C)o3)C2)nc1 ZINC001033596688 1194928171 /nfs/dbraw/zinc/92/81/71/1194928171.db2.gz LYGSQPGUCMURLI-GOEBONIOSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+]([C@@H](C)c3ncc(C)o3)C2)nc1 ZINC001033596688 1194928173 /nfs/dbraw/zinc/92/81/73/1194928173.db2.gz LYGSQPGUCMURLI-GOEBONIOSA-N 1 2 338.411 2.267 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC2(F)F)CC1 ZINC001005360216 1195270399 /nfs/dbraw/zinc/27/03/99/1195270399.db2.gz FYTKJJOGRLKMKZ-NSHDSACASA-N 1 2 337.208 2.473 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)c1c(C)noc1C ZINC001018065217 1224280619 /nfs/dbraw/zinc/28/06/19/1224280619.db2.gz NZOXAAOEKZPPPE-IXDOHACOSA-N 1 2 329.444 2.484 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)c1c(C)noc1C ZINC001018065217 1224280626 /nfs/dbraw/zinc/28/06/26/1224280626.db2.gz NZOXAAOEKZPPPE-IXDOHACOSA-N 1 2 329.444 2.484 20 30 EEEDLO Cc1csc(C[N@@H+]2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001034163382 1195879953 /nfs/dbraw/zinc/87/99/53/1195879953.db2.gz LPHLOWWUZHFQRF-AWEZNQCLSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1csc(C[N@H+]2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001034163382 1195879959 /nfs/dbraw/zinc/87/99/59/1195879959.db2.gz LPHLOWWUZHFQRF-AWEZNQCLSA-N 1 2 343.456 2.436 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCCC[N@H+](Cc2cnns2)C1 ZINC001034247334 1195980819 /nfs/dbraw/zinc/98/08/19/1195980819.db2.gz MOVMALJQEKEVSJ-AWEZNQCLSA-N 1 2 345.472 2.310 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCCC[N@@H+](Cc2cnns2)C1 ZINC001034247334 1195980821 /nfs/dbraw/zinc/98/08/21/1195980821.db2.gz MOVMALJQEKEVSJ-AWEZNQCLSA-N 1 2 345.472 2.310 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccnc3ccnn32)C1 ZINC001034242248 1195993430 /nfs/dbraw/zinc/99/34/30/1195993430.db2.gz DEENSZJYLIYLBD-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccnc3ccnn32)C1 ZINC001034242248 1195993432 /nfs/dbraw/zinc/99/34/32/1195993432.db2.gz DEENSZJYLIYLBD-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc3c(c2)nnn3C)C1 ZINC001034271077 1196024228 /nfs/dbraw/zinc/02/42/28/1196024228.db2.gz JAKDFGALDUIWPW-AWEZNQCLSA-N 1 2 347.850 2.305 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c(c2)nnn3C)C1 ZINC001034271077 1196024231 /nfs/dbraw/zinc/02/42/31/1196024231.db2.gz JAKDFGALDUIWPW-AWEZNQCLSA-N 1 2 347.850 2.305 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCCC[N@@H+]([C@H](C)c3ncccn3)C2)c1 ZINC001034393168 1196182662 /nfs/dbraw/zinc/18/26/62/1196182662.db2.gz RWCTWGXRTLAWLQ-QAPCUYQASA-N 1 2 349.438 2.198 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCCC[N@H+]([C@H](C)c3ncccn3)C2)c1 ZINC001034393168 1196182664 /nfs/dbraw/zinc/18/26/64/1196182664.db2.gz RWCTWGXRTLAWLQ-QAPCUYQASA-N 1 2 349.438 2.198 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2c(C)nn3cccnc23)C1 ZINC001034532266 1196341113 /nfs/dbraw/zinc/34/11/13/1196341113.db2.gz MJVLKYYPOREEBU-AWEZNQCLSA-N 1 2 347.850 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2c(C)nn3cccnc23)C1 ZINC001034532266 1196341116 /nfs/dbraw/zinc/34/11/16/1196341116.db2.gz MJVLKYYPOREEBU-AWEZNQCLSA-N 1 2 347.850 2.375 20 30 EEEDLO C#CCN1CCC2(CC[NH+](Cc3ccnc(Cl)c3F)CC2)C1=O ZINC001273206251 1197536473 /nfs/dbraw/zinc/53/64/73/1197536473.db2.gz JYNYDWNHRIKPSW-UHFFFAOYSA-N 1 2 335.810 2.322 20 30 EEEDLO CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(C)c(C#N)c2)C1=O ZINC001273214415 1197561728 /nfs/dbraw/zinc/56/17/28/1197561728.db2.gz WVPJHDGUALKKDF-FOIQADDNSA-N 1 2 339.439 2.411 20 30 EEEDLO CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@H+]2Cc2ccc(C)c(C#N)c2)C1=O ZINC001273214415 1197561730 /nfs/dbraw/zinc/56/17/30/1197561730.db2.gz WVPJHDGUALKKDF-FOIQADDNSA-N 1 2 339.439 2.411 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3ccncc3Cl)C2)OCC1=O ZINC001273231674 1197618592 /nfs/dbraw/zinc/61/85/92/1197618592.db2.gz SOGLKOORNLSNIK-KRWDZBQOSA-N 1 2 335.835 2.114 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3ccncc3Cl)C2)OCC1=O ZINC001273231674 1197618593 /nfs/dbraw/zinc/61/85/93/1197618593.db2.gz SOGLKOORNLSNIK-KRWDZBQOSA-N 1 2 335.835 2.114 20 30 EEEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(OC)nc2OC)C1=O ZINC001273249950 1197730571 /nfs/dbraw/zinc/73/05/71/1197730571.db2.gz BVMHXPCIJHZBIH-IBGZPJMESA-N 1 2 345.443 2.242 20 30 EEEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(OC)nc2OC)C1=O ZINC001273249950 1197730575 /nfs/dbraw/zinc/73/05/75/1197730575.db2.gz BVMHXPCIJHZBIH-IBGZPJMESA-N 1 2 345.443 2.242 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3scnc3Cl)C2)OCC1=O ZINC001273260116 1197833816 /nfs/dbraw/zinc/83/38/16/1197833816.db2.gz FJJBHHXQAQVZKF-HNNXBMFYSA-N 1 2 341.864 2.176 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3scnc3Cl)C2)OCC1=O ZINC001273260116 1197833825 /nfs/dbraw/zinc/83/38/25/1197833825.db2.gz FJJBHHXQAQVZKF-HNNXBMFYSA-N 1 2 341.864 2.176 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)c4nnc(C)s4)C[C@H]32)CCC1 ZINC001114397036 1197921596 /nfs/dbraw/zinc/92/15/96/1197921596.db2.gz GKIUBAUDCSMPLG-SPWCGHHHSA-N 1 2 344.484 2.148 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)c4nnc(C)s4)C[C@H]32)CCC1 ZINC001114397036 1197921599 /nfs/dbraw/zinc/92/15/99/1197921599.db2.gz GKIUBAUDCSMPLG-SPWCGHHHSA-N 1 2 344.484 2.148 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1ccsn1 ZINC001014873520 1224474200 /nfs/dbraw/zinc/47/42/00/1224474200.db2.gz BELSKWAWMKDCHX-HNNXBMFYSA-N 1 2 329.400 2.138 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)c1ccsn1 ZINC001014873520 1224474202 /nfs/dbraw/zinc/47/42/02/1224474202.db2.gz BELSKWAWMKDCHX-HNNXBMFYSA-N 1 2 329.400 2.138 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCCC(C)(C)C)C1 ZINC001132020437 1199215756 /nfs/dbraw/zinc/21/57/56/1199215756.db2.gz FPXFHORCDJOING-IAGOWNOFSA-N 1 2 349.519 2.167 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCCC(C)(C)C)C1 ZINC001132020437 1199215760 /nfs/dbraw/zinc/21/57/60/1199215760.db2.gz FPXFHORCDJOING-IAGOWNOFSA-N 1 2 349.519 2.167 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3cc(OC)no3)C2)CCC1 ZINC001132101970 1199294820 /nfs/dbraw/zinc/29/48/20/1199294820.db2.gz PYLHHXLVYOUOCJ-LSDHHAIUSA-N 1 2 345.443 2.346 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3cc(OC)no3)C2)CCC1 ZINC001132101970 1199294823 /nfs/dbraw/zinc/29/48/23/1199294823.db2.gz PYLHHXLVYOUOCJ-LSDHHAIUSA-N 1 2 345.443 2.346 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCNC(=O)C(C)(C)C)CC[C@H]1C ZINC001132214350 1199436870 /nfs/dbraw/zinc/43/68/70/1199436870.db2.gz GBHQASJLAPIJEX-ZIAGYGMSSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCNC(=O)C(C)(C)C)CC[C@H]1C ZINC001132214350 1199436873 /nfs/dbraw/zinc/43/68/73/1199436873.db2.gz GBHQASJLAPIJEX-ZIAGYGMSSA-N 1 2 343.899 2.260 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCc2ccco2)C1 ZINC001132217994 1199456924 /nfs/dbraw/zinc/45/69/24/1199456924.db2.gz KDUMCHRKDNFMJT-GJZGRUSLSA-N 1 2 347.459 2.077 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NCc2ccco2)C1 ZINC001132217994 1199456926 /nfs/dbraw/zinc/45/69/26/1199456926.db2.gz KDUMCHRKDNFMJT-GJZGRUSLSA-N 1 2 347.459 2.077 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1O ZINC001090518493 1199460006 /nfs/dbraw/zinc/46/00/06/1199460006.db2.gz SELKHEWOQPNFSH-NUEKZKHPSA-N 1 2 346.475 2.176 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(OC)nn2)C1 ZINC001132255612 1199513958 /nfs/dbraw/zinc/51/39/58/1199513958.db2.gz BWEUBTYRKZAVQW-CABCVRRESA-N 1 2 332.448 2.311 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001132255612 1199513963 /nfs/dbraw/zinc/51/39/63/1199513963.db2.gz BWEUBTYRKZAVQW-CABCVRRESA-N 1 2 332.448 2.311 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC2CCC2)C1 ZINC001132326717 1199593733 /nfs/dbraw/zinc/59/37/33/1199593733.db2.gz HKGKSYFAQXAZKB-NVXWUHKLSA-N 1 2 349.519 2.474 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC2CCC2)C1 ZINC001132326717 1199593738 /nfs/dbraw/zinc/59/37/38/1199593738.db2.gz HKGKSYFAQXAZKB-NVXWUHKLSA-N 1 2 349.519 2.474 20 30 EEEDLO COC(=O)N1CCN(c2ccc(NC[C@@H](C)CCC#N)c[nH+]2)CC1 ZINC000877552288 1199963771 /nfs/dbraw/zinc/96/37/71/1199963771.db2.gz BFXPZPMILRURFV-AWEZNQCLSA-N 1 2 331.420 2.322 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(OC(C)C)cc1 ZINC001018301978 1224585645 /nfs/dbraw/zinc/58/56/45/1224585645.db2.gz NYSUVMXKALBRRU-HDICACEKSA-N 1 2 326.440 2.325 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(OC(C)C)cc1 ZINC001018301978 1224585650 /nfs/dbraw/zinc/58/56/50/1224585650.db2.gz NYSUVMXKALBRRU-HDICACEKSA-N 1 2 326.440 2.325 20 30 EEEDLO C#C[C@@H](NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)C(C)(C)C ZINC000878973671 1200781192 /nfs/dbraw/zinc/78/11/92/1200781192.db2.gz RRMCCAYZFBTMTM-OAHLLOKOSA-N 1 2 330.432 2.396 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C3CCCCC3)C2)CC1 ZINC001018360456 1224643433 /nfs/dbraw/zinc/64/34/33/1224643433.db2.gz ZHEYPYJNKXFATB-GOSISDBHSA-N 1 2 347.503 2.136 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1nc2cc(C)ccc2[nH]1 ZINC001273972100 1201903039 /nfs/dbraw/zinc/90/30/39/1201903039.db2.gz CQIQVNDBDTYZOD-FQEVSTJZSA-N 1 2 336.439 2.462 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1nc2cc(C)ccc2[nH]1 ZINC001273972100 1201903041 /nfs/dbraw/zinc/90/30/41/1201903041.db2.gz CQIQVNDBDTYZOD-FQEVSTJZSA-N 1 2 336.439 2.462 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1nc2ccc(C)cc2[nH]1 ZINC001273972100 1201903042 /nfs/dbraw/zinc/90/30/42/1201903042.db2.gz CQIQVNDBDTYZOD-FQEVSTJZSA-N 1 2 336.439 2.462 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1nc2ccc(C)cc2[nH]1 ZINC001273972100 1201903044 /nfs/dbraw/zinc/90/30/44/1201903044.db2.gz CQIQVNDBDTYZOD-FQEVSTJZSA-N 1 2 336.439 2.462 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1nc2cc(C)ccc2[nH]1 ZINC001273972102 1201903053 /nfs/dbraw/zinc/90/30/53/1201903053.db2.gz CQIQVNDBDTYZOD-HXUWFJFHSA-N 1 2 336.439 2.462 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1nc2cc(C)ccc2[nH]1 ZINC001273972102 1201903055 /nfs/dbraw/zinc/90/30/55/1201903055.db2.gz CQIQVNDBDTYZOD-HXUWFJFHSA-N 1 2 336.439 2.462 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1nc2ccc(C)cc2[nH]1 ZINC001273972102 1201903056 /nfs/dbraw/zinc/90/30/56/1201903056.db2.gz CQIQVNDBDTYZOD-HXUWFJFHSA-N 1 2 336.439 2.462 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1nc2ccc(C)cc2[nH]1 ZINC001273972102 1201903060 /nfs/dbraw/zinc/90/30/60/1201903060.db2.gz CQIQVNDBDTYZOD-HXUWFJFHSA-N 1 2 336.439 2.462 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3[nH]nc4c3CCCC4)C2)cc1 ZINC001015072967 1224711451 /nfs/dbraw/zinc/71/14/51/1224711451.db2.gz IKIWLMAXWLEXQH-INIZCTEOSA-N 1 2 349.438 2.164 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3[nH]nc4c3CCCC4)C2)cc1 ZINC001015072967 1224711455 /nfs/dbraw/zinc/71/14/55/1224711455.db2.gz IKIWLMAXWLEXQH-INIZCTEOSA-N 1 2 349.438 2.164 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)c1 ZINC000826558383 1204253938 /nfs/dbraw/zinc/25/39/38/1204253938.db2.gz WVIWJCKDWQYADT-FQEVSTJZSA-N 1 2 349.434 2.002 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)c1 ZINC000826558383 1204253940 /nfs/dbraw/zinc/25/39/40/1204253940.db2.gz WVIWJCKDWQYADT-FQEVSTJZSA-N 1 2 349.434 2.002 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)nn1 ZINC001095400520 1204888744 /nfs/dbraw/zinc/88/87/44/1204888744.db2.gz CYBVHNMZUCCTCB-NEWSRXKRSA-N 1 2 347.422 2.192 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)nn1 ZINC001095400520 1204888748 /nfs/dbraw/zinc/88/87/48/1204888748.db2.gz CYBVHNMZUCCTCB-NEWSRXKRSA-N 1 2 347.422 2.192 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1nc(C)cc1C)C2 ZINC001110874839 1204952393 /nfs/dbraw/zinc/95/23/93/1204952393.db2.gz YALFUPXVAKIQER-OAGGEKHMSA-N 1 2 336.867 2.364 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1nc(C)cc1C)C2 ZINC001110874839 1204952395 /nfs/dbraw/zinc/95/23/95/1204952395.db2.gz YALFUPXVAKIQER-OAGGEKHMSA-N 1 2 336.867 2.364 20 30 EEEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cnc(Cl)c(F)c1)CC2 ZINC001274250644 1204976511 /nfs/dbraw/zinc/97/65/11/1204976511.db2.gz KODJFCAQYVQCCR-ZDUSSCGKSA-N 1 2 335.810 2.226 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cccc(F)c4F)C3)C2)cc1C#N ZINC001275924531 1205588619 /nfs/dbraw/zinc/58/86/19/1205588619.db2.gz UKYIVNCVALDLGI-UHFFFAOYSA-N 1 2 342.393 2.493 20 30 EEEDLO C=CCOc1ccc(C[NH+]2CC3(CCN3COCCOC)C2)cc1 ZINC001275959995 1205603722 /nfs/dbraw/zinc/60/37/22/1205603722.db2.gz MBBIZPXGFUKANU-UHFFFAOYSA-N 1 2 332.444 2.132 20 30 EEEDLO Cc1nc(N2CCC(NC(=O)CC#Cc3ccccc3)CC2)cc[nH+]1 ZINC001095416767 1205716738 /nfs/dbraw/zinc/71/67/38/1205716738.db2.gz STSFIUCGNNNCLH-UHFFFAOYSA-N 1 2 334.423 2.312 20 30 EEEDLO N#Cc1c(F)cccc1N1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001095450478 1205770959 /nfs/dbraw/zinc/77/09/59/1205770959.db2.gz FJTACFBFWCRBEJ-UHFFFAOYSA-N 1 2 341.390 2.138 20 30 EEEDLO N#Cc1c(F)cccc1N1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001095450478 1205770961 /nfs/dbraw/zinc/77/09/61/1205770961.db2.gz FJTACFBFWCRBEJ-UHFFFAOYSA-N 1 2 341.390 2.138 20 30 EEEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C(C)C)C2 ZINC001110937612 1206326316 /nfs/dbraw/zinc/32/63/16/1206326316.db2.gz BIVVNRJTVLCUNQ-OIISXLGYSA-N 1 2 330.428 2.388 20 30 EEEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C(C)C)C2 ZINC001110937612 1206326319 /nfs/dbraw/zinc/32/63/19/1206326319.db2.gz BIVVNRJTVLCUNQ-OIISXLGYSA-N 1 2 330.428 2.388 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)(C)C ZINC001110967225 1206468491 /nfs/dbraw/zinc/46/84/91/1206468491.db2.gz YPLDSPPWXUILNL-OAGGEKHMSA-N 1 2 335.492 2.227 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)(C)C ZINC001110967225 1206468492 /nfs/dbraw/zinc/46/84/92/1206468492.db2.gz YPLDSPPWXUILNL-OAGGEKHMSA-N 1 2 335.492 2.227 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)CC)CC1 ZINC001110982451 1206538363 /nfs/dbraw/zinc/53/83/63/1206538363.db2.gz XTIMTXVAZXDNDN-DDBAPUKQSA-N 1 2 347.503 2.369 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)CC)CC1 ZINC001110982451 1206538364 /nfs/dbraw/zinc/53/83/64/1206538364.db2.gz XTIMTXVAZXDNDN-DDBAPUKQSA-N 1 2 347.503 2.369 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(OC)n1 ZINC001110984917 1206544928 /nfs/dbraw/zinc/54/49/28/1206544928.db2.gz ONSPWIRKKUSWBQ-OAFZBRQQSA-N 1 2 344.459 2.309 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(OC)n1 ZINC001110984917 1206544929 /nfs/dbraw/zinc/54/49/29/1206544929.db2.gz ONSPWIRKKUSWBQ-OAFZBRQQSA-N 1 2 344.459 2.309 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccn2ccnc2c1 ZINC001015250088 1224982377 /nfs/dbraw/zinc/98/23/77/1224982377.db2.gz XTEGCWIVLFVVPI-LJQANCHMSA-N 1 2 344.418 2.190 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccn2ccnc2c1 ZINC001015250088 1224982385 /nfs/dbraw/zinc/98/23/85/1224982385.db2.gz XTEGCWIVLFVVPI-LJQANCHMSA-N 1 2 344.418 2.190 20 30 EEEDLO CCOC(=O)[C@H]1CC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000932643899 1207643380 /nfs/dbraw/zinc/64/33/80/1207643380.db2.gz FBQNWKOQNBARTR-HNNXBMFYSA-N 1 2 338.411 2.437 20 30 EEEDLO CCOC(=O)[C@H]1CC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000932643899 1207643381 /nfs/dbraw/zinc/64/33/81/1207643381.db2.gz FBQNWKOQNBARTR-HNNXBMFYSA-N 1 2 338.411 2.437 20 30 EEEDLO N#C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCN1Cc1ccccc1 ZINC000932856133 1207690883 /nfs/dbraw/zinc/69/08/83/1207690883.db2.gz RHXDVUBABAIVCW-QGZVFWFLSA-N 1 2 345.406 2.413 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3ccc(F)cc3O2)C1 ZINC001015270353 1225015179 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YPFPMRJNKABMFZ-CZUORRHYSA-N 1 2 327.432 2.364 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C)CC1 ZINC000966375975 1219711555 /nfs/dbraw/zinc/71/15/55/1219711555.db2.gz OHFBWRDFJWWNEG-ZBFHGGJFSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000967115717 1220286156 /nfs/dbraw/zinc/28/61/56/1220286156.db2.gz JVJLNXIKZJEUNE-CQSZACIVSA-N 1 2 346.475 2.298 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3F)C2)nc1 ZINC001016022905 1225966446 /nfs/dbraw/zinc/96/64/46/1225966446.db2.gz GVTYEZHQBDZAMF-INIZCTEOSA-N 1 2 341.361 2.345 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3F)C2)nc1 ZINC001016022905 1225966450 /nfs/dbraw/zinc/96/64/50/1225966450.db2.gz GVTYEZHQBDZAMF-INIZCTEOSA-N 1 2 341.361 2.345 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)c(C)s3)C2)cn1 ZINC001016026779 1225972658 /nfs/dbraw/zinc/97/26/58/1225972658.db2.gz JHTXCVODNNCZIY-MRXNPFEDSA-N 1 2 340.452 2.141 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C)c(C)s3)C2)cn1 ZINC001016026779 1225972661 /nfs/dbraw/zinc/97/26/61/1225972661.db2.gz JHTXCVODNNCZIY-MRXNPFEDSA-N 1 2 340.452 2.141 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cnco1 ZINC000967558893 1220627031 /nfs/dbraw/zinc/62/70/31/1220627031.db2.gz KDPFDVKOQFEJQG-BXUZGUMPSA-N 1 2 330.413 2.248 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cnco1 ZINC000967558893 1220627032 /nfs/dbraw/zinc/62/70/32/1220627032.db2.gz KDPFDVKOQFEJQG-BXUZGUMPSA-N 1 2 330.413 2.248 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3cnc(C)cn3)CC[C@H]2C)cc1 ZINC000967700140 1220749111 /nfs/dbraw/zinc/74/91/11/1220749111.db2.gz FXSBHEJGKFJJDA-QRWLVFNGSA-N 1 2 348.450 2.407 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@H+](Cc3cnc(C)cn3)CC[C@H]2C)cc1 ZINC000967700140 1220749113 /nfs/dbraw/zinc/74/91/13/1220749113.db2.gz FXSBHEJGKFJJDA-QRWLVFNGSA-N 1 2 348.450 2.407 20 30 EEEDLO Cc1cc(C[N@@H+]2CCCCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)no1 ZINC000968815888 1221594401 /nfs/dbraw/zinc/59/44/01/1221594401.db2.gz HSKYRACHYCZPTE-QGZVFWFLSA-N 1 2 341.415 2.357 20 30 EEEDLO Cc1cc(C[N@H+]2CCCCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)no1 ZINC000968815888 1221594405 /nfs/dbraw/zinc/59/44/05/1221594405.db2.gz HSKYRACHYCZPTE-QGZVFWFLSA-N 1 2 341.415 2.357 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)no1 ZINC001006639914 1221875379 /nfs/dbraw/zinc/87/53/79/1221875379.db2.gz BHRAVJWKKDMQCC-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)no1 ZINC001006639914 1221875381 /nfs/dbraw/zinc/87/53/81/1221875381.db2.gz BHRAVJWKKDMQCC-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cn1cccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001006775128 1221935621 /nfs/dbraw/zinc/93/56/21/1221935621.db2.gz UUJIMFIWDNUNLK-MRXNPFEDSA-N 1 2 340.402 2.430 20 30 EEEDLO Cn1cccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001006775128 1221935622 /nfs/dbraw/zinc/93/56/22/1221935622.db2.gz UUJIMFIWDNUNLK-MRXNPFEDSA-N 1 2 340.402 2.430 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1cscn1 ZINC001006899364 1222002986 /nfs/dbraw/zinc/00/29/86/1222002986.db2.gz SDRMBDZEADOZNM-INIZCTEOSA-N 1 2 325.437 2.389 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1cscn1 ZINC001006899364 1222002989 /nfs/dbraw/zinc/00/29/89/1222002989.db2.gz SDRMBDZEADOZNM-INIZCTEOSA-N 1 2 325.437 2.389 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C[C@H]3CCOC3)C2)c(F)c1 ZINC001006983095 1222049901 /nfs/dbraw/zinc/04/99/01/1222049901.db2.gz NBAIFMJNBSEOAM-WBVHZDCISA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)C[C@H]3CCOC3)C2)c(F)c1 ZINC001006983095 1222049905 /nfs/dbraw/zinc/04/99/05/1222049905.db2.gz NBAIFMJNBSEOAM-WBVHZDCISA-N 1 2 345.418 2.205 20 30 EEEDLO Cn1ccc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001007091949 1222090537 /nfs/dbraw/zinc/09/05/37/1222090537.db2.gz NJIPIDUAKMUHDE-LJQANCHMSA-N 1 2 339.414 2.410 20 30 EEEDLO Cn1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001007091949 1222090542 /nfs/dbraw/zinc/09/05/42/1222090542.db2.gz NJIPIDUAKMUHDE-LJQANCHMSA-N 1 2 339.414 2.410 20 30 EEEDLO Cc1nc(N2CC[C@@]3(C2)CCCN(C(=O)[C@@H](C)C#N)C3)c(C)c(C)[nH+]1 ZINC001066857078 1222116186 /nfs/dbraw/zinc/11/61/86/1222116186.db2.gz PRQJLBORIZROLR-ORAYPTAESA-N 1 2 341.459 2.380 20 30 EEEDLO Cc1nc(N2CC[C@]3(C2)CCCN(C(=O)[C@@H](C)C#N)C3)c(C)c(C)[nH+]1 ZINC001066857076 1222116266 /nfs/dbraw/zinc/11/62/66/1222116266.db2.gz PRQJLBORIZROLR-DJJJIMSYSA-N 1 2 341.459 2.380 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2cnccn2)C1 ZINC001007501649 1222263208 /nfs/dbraw/zinc/26/32/08/1222263208.db2.gz BDTIAHSPZAWNQO-CVEARBPZSA-N 1 2 339.443 2.420 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@H+]([C@H](C)c2cnccn2)C1 ZINC001007501649 1222263213 /nfs/dbraw/zinc/26/32/13/1222263213.db2.gz BDTIAHSPZAWNQO-CVEARBPZSA-N 1 2 339.443 2.420 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001008329123 1222764472 /nfs/dbraw/zinc/76/44/72/1222764472.db2.gz GVPBCKNYRCQMNC-KBPBESRZSA-N 1 2 349.853 2.297 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001008329123 1222764474 /nfs/dbraw/zinc/76/44/74/1222764474.db2.gz GVPBCKNYRCQMNC-KBPBESRZSA-N 1 2 349.853 2.297 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(OC)nn3)C2)CC1 ZINC001008408601 1222816061 /nfs/dbraw/zinc/81/60/61/1222816061.db2.gz CGXYFEWDLWMGGE-INIZCTEOSA-N 1 2 344.459 2.312 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(OC)nn3)C2)CC1 ZINC001008408601 1222816069 /nfs/dbraw/zinc/81/60/69/1222816069.db2.gz CGXYFEWDLWMGGE-INIZCTEOSA-N 1 2 344.459 2.312 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001008559461 1222926307 /nfs/dbraw/zinc/92/63/07/1222926307.db2.gz ODJNPXWRNSBGIH-OAGGEKHMSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001008559461 1222926313 /nfs/dbraw/zinc/92/63/13/1222926313.db2.gz ODJNPXWRNSBGIH-OAGGEKHMSA-N 1 2 349.862 2.407 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cn2ccccc2n1 ZINC001016172888 1226168780 /nfs/dbraw/zinc/16/87/80/1226168780.db2.gz CNVQHDBELKUJMH-GOSISDBHSA-N 1 2 344.418 2.190 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cn2ccccc2n1 ZINC001016172888 1226168787 /nfs/dbraw/zinc/16/87/87/1226168787.db2.gz CNVQHDBELKUJMH-GOSISDBHSA-N 1 2 344.418 2.190 20 30 EEEDLO Cc1cccnc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001010483278 1223742830 /nfs/dbraw/zinc/74/28/30/1223742830.db2.gz QFTTYNXBHLTAPM-ZDUSSCGKSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1cccnc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001010483278 1223742832 /nfs/dbraw/zinc/74/28/32/1223742832.db2.gz QFTTYNXBHLTAPM-ZDUSSCGKSA-N 1 2 326.425 2.328 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001014452431 1226633512 /nfs/dbraw/zinc/63/35/12/1226633512.db2.gz PQKAGBCNYCNKRO-VNQPRFMTSA-N 1 2 348.878 2.097 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001014452431 1226633516 /nfs/dbraw/zinc/63/35/16/1226633516.db2.gz PQKAGBCNYCNKRO-VNQPRFMTSA-N 1 2 348.878 2.097 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001014468701 1226653671 /nfs/dbraw/zinc/65/36/71/1226653671.db2.gz JUAKSXVFVPEBAI-UXLLHSPISA-N 1 2 347.459 2.470 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001014468701 1226653673 /nfs/dbraw/zinc/65/36/73/1226653673.db2.gz JUAKSXVFVPEBAI-UXLLHSPISA-N 1 2 347.459 2.470 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2nnc(C)[nH]2)C1 ZINC001017179813 1227200307 /nfs/dbraw/zinc/20/03/07/1227200307.db2.gz PLJATMCLJLGKFE-OAHLLOKOSA-N 1 2 333.480 2.386 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](C[N@H+](C)Cc2nnc(C)[nH]2)C1 ZINC001017179813 1227200309 /nfs/dbraw/zinc/20/03/09/1227200309.db2.gz PLJATMCLJLGKFE-OAHLLOKOSA-N 1 2 333.480 2.386 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)c1cccc(OC)c1 ZINC001017773584 1227716854 /nfs/dbraw/zinc/71/68/54/1227716854.db2.gz SEUFNAJGIQSZKU-SCTDSRPQSA-N 1 2 342.439 2.081 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)c1cccc(OC)c1 ZINC001017773584 1227716860 /nfs/dbraw/zinc/71/68/60/1227716860.db2.gz SEUFNAJGIQSZKU-SCTDSRPQSA-N 1 2 342.439 2.081 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001019233184 1228900879 /nfs/dbraw/zinc/90/08/79/1228900879.db2.gz HOVLEQULEFIVKS-AWEZNQCLSA-N 1 2 332.448 2.315 20 30 EEEDLO C=C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1)c1ccccc1 ZINC001019804551 1229355189 /nfs/dbraw/zinc/35/51/89/1229355189.db2.gz AKDKANQIUZFTPS-HOCLYGCPSA-N 1 2 328.441 2.198 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)cc1F ZINC001038169845 1229675153 /nfs/dbraw/zinc/67/51/53/1229675153.db2.gz PVIGTUSDUWXOQM-CQSZACIVSA-N 1 2 342.374 2.038 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)cc1F ZINC001038169845 1229675157 /nfs/dbraw/zinc/67/51/57/1229675157.db2.gz PVIGTUSDUWXOQM-CQSZACIVSA-N 1 2 342.374 2.038 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2C[C@@H]2C(F)F)s1 ZINC001038218699 1229692103 /nfs/dbraw/zinc/69/21/03/1229692103.db2.gz JUBHKAAJCSJFKY-ICCXJUOJSA-N 1 2 325.384 2.211 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2C[C@@H]2C(F)F)s1 ZINC001038218699 1229692105 /nfs/dbraw/zinc/69/21/05/1229692105.db2.gz JUBHKAAJCSJFKY-ICCXJUOJSA-N 1 2 325.384 2.211 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]1Cc1ccnc(OC)c1 ZINC001038352466 1229763731 /nfs/dbraw/zinc/76/37/31/1229763731.db2.gz HWZOIPYCLDQJBL-MRXNPFEDSA-N 1 2 340.427 2.082 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccnc(OC)c1 ZINC001038352466 1229763737 /nfs/dbraw/zinc/76/37/37/1229763737.db2.gz HWZOIPYCLDQJBL-MRXNPFEDSA-N 1 2 340.427 2.082 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2[C@H](C)C(=O)N2CCCCC2)CC1 ZINC001038664954 1229961410 /nfs/dbraw/zinc/96/14/10/1229961410.db2.gz BKQCKZTZTCLROA-SJLPKXTDSA-N 1 2 347.503 2.324 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2[C@H](C)C(=O)N2CCCCC2)CC1 ZINC001038664954 1229961413 /nfs/dbraw/zinc/96/14/13/1229961413.db2.gz BKQCKZTZTCLROA-SJLPKXTDSA-N 1 2 347.503 2.324 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)c1nccc2[nH]ccc21 ZINC001038717084 1229994055 /nfs/dbraw/zinc/99/40/55/1229994055.db2.gz QRCZKHYMDTXLAQ-QGZVFWFLSA-N 1 2 344.418 2.419 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)c1nccc2[nH]ccc21 ZINC001038717084 1229994058 /nfs/dbraw/zinc/99/40/58/1229994058.db2.gz QRCZKHYMDTXLAQ-QGZVFWFLSA-N 1 2 344.418 2.419 20 30 EEEDLO CN(C)c1ccnc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c1 ZINC001039074139 1230283078 /nfs/dbraw/zinc/28/30/78/1230283078.db2.gz OUNAWDHEJNHCFI-GOSISDBHSA-N 1 2 349.438 2.024 20 30 EEEDLO CN(C)c1ccnc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)c1 ZINC001039074139 1230283079 /nfs/dbraw/zinc/28/30/79/1230283079.db2.gz OUNAWDHEJNHCFI-GOSISDBHSA-N 1 2 349.438 2.024 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(F)CCOCC1 ZINC001039384466 1230569513 /nfs/dbraw/zinc/56/95/13/1230569513.db2.gz WSKPJNSLIDRAKX-KGLIPLIRSA-N 1 2 330.831 2.323 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(F)CCOCC1 ZINC001039384466 1230569516 /nfs/dbraw/zinc/56/95/16/1230569516.db2.gz WSKPJNSLIDRAKX-KGLIPLIRSA-N 1 2 330.831 2.323 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1cc(C)on1 ZINC001039388957 1230573222 /nfs/dbraw/zinc/57/32/22/1230573222.db2.gz STCNTJGIMQDXHJ-KGLIPLIRSA-N 1 2 339.823 2.180 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1cc(C)on1 ZINC001039388957 1230573226 /nfs/dbraw/zinc/57/32/26/1230573226.db2.gz STCNTJGIMQDXHJ-KGLIPLIRSA-N 1 2 339.823 2.180 20 30 EEEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C2CC2)c1Cl ZINC001039399278 1230581769 /nfs/dbraw/zinc/58/17/69/1230581769.db2.gz QWBRJJFZEIXASG-OLZOCXBDSA-N 1 2 332.835 2.253 20 30 EEEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C2CC2)c1Cl ZINC001039399278 1230581773 /nfs/dbraw/zinc/58/17/73/1230581773.db2.gz QWBRJJFZEIXASG-OLZOCXBDSA-N 1 2 332.835 2.253 20 30 EEEDLO N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001039413717 1230594290 /nfs/dbraw/zinc/59/42/90/1230594290.db2.gz ZVXKWUAOMUDNDU-MSOLQXFVSA-N 1 2 335.411 2.075 20 30 EEEDLO CSCC(=O)N1CC[C@@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001041921424 1231766904 /nfs/dbraw/zinc/76/69/04/1231766904.db2.gz WOSMMKBCEVZBQQ-GUYCJALGSA-N 1 2 347.459 2.483 20 30 EEEDLO CSCC(=O)N1CC[C@@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001041921424 1231766906 /nfs/dbraw/zinc/76/69/06/1231766906.db2.gz WOSMMKBCEVZBQQ-GUYCJALGSA-N 1 2 347.459 2.483 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@H+](Cc4cscn4)[C@@H]3C2)c1 ZINC001041999870 1231819087 /nfs/dbraw/zinc/81/90/87/1231819087.db2.gz JGEMPNVKTLRCEW-CZUORRHYSA-N 1 2 341.440 2.079 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cscn4)[C@@H]3C2)c1 ZINC001041999870 1231819089 /nfs/dbraw/zinc/81/90/89/1231819089.db2.gz JGEMPNVKTLRCEW-CZUORRHYSA-N 1 2 341.440 2.079 20 30 EEEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+]([C@H]2CCc3ccc(F)cc32)C1 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C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3cc(C)cnc13)C2 ZINC001096090536 1234686983 /nfs/dbraw/zinc/68/69/83/1234686983.db2.gz GYCSLBWBLKGUMJ-SNPRPXQTSA-N 1 2 345.834 2.125 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001046763277 1235160760 /nfs/dbraw/zinc/16/07/60/1235160760.db2.gz NSVQDSMWBNUQBA-KRWDZBQOSA-N 1 2 349.866 2.024 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001046763277 1235160763 /nfs/dbraw/zinc/16/07/63/1235160763.db2.gz NSVQDSMWBNUQBA-KRWDZBQOSA-N 1 2 349.866 2.024 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3nc(C)oc3C)C2)cn1 ZINC001046778553 1235176935 /nfs/dbraw/zinc/17/69/35/1235176935.db2.gz HOGGMHGIDMRNBF-IBGZPJMESA-N 1 2 338.411 2.062 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](Cc3nc(C)oc3C)C2)cn1 ZINC001046778553 1235176937 /nfs/dbraw/zinc/17/69/37/1235176937.db2.gz HOGGMHGIDMRNBF-IBGZPJMESA-N 1 2 338.411 2.062 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2COc3ccccc3O2)C1 ZINC001046810837 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331.794 2.465 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccn(C)c2)C1 ZINC001046930426 1235316960 /nfs/dbraw/zinc/31/69/60/1235316960.db2.gz AHXBQRITXCIRCO-CYBMUJFWSA-N 1 2 331.794 2.465 20 30 EEEDLO N#Cc1cccnc1N[C@H]1C[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001047074665 1235477369 /nfs/dbraw/zinc/47/73/69/1235477369.db2.gz MNACXCOYPHIUKS-NNUKFRKNSA-N 1 2 346.394 2.450 20 30 EEEDLO CN(C(=O)C1(C)CCCC1)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047476208 1236077089 /nfs/dbraw/zinc/07/70/89/1236077089.db2.gz DEQDBUDMVWAFQA-ROUUACIJSA-N 1 2 341.455 2.142 20 30 EEEDLO CN(C(=O)C1(C)CCCC1)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047476208 1236077094 /nfs/dbraw/zinc/07/70/94/1236077094.db2.gz DEQDBUDMVWAFQA-ROUUACIJSA-N 1 2 341.455 2.142 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001047556492 1236196154 /nfs/dbraw/zinc/19/61/54/1236196154.db2.gz VHONXPVFRGBEOF-JYJNAYRXSA-N 1 2 344.459 2.194 20 30 EEEDLO 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/nfs/dbraw/zinc/26/88/91/1239268891.db2.gz UGZJZFQZQZYURE-HZPDHXFCSA-N 1 2 344.459 2.291 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3noc(C)n3)C[C@@H]2C1 ZINC001048976898 1239639638 /nfs/dbraw/zinc/63/96/38/1239639638.db2.gz SXNQNVHJJWOOHF-AEGPPILISA-N 1 2 332.448 2.432 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3noc(C)n3)C[C@@H]2C1 ZINC001048976898 1239639644 /nfs/dbraw/zinc/63/96/44/1239639644.db2.gz SXNQNVHJJWOOHF-AEGPPILISA-N 1 2 332.448 2.432 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1coc(C2CC2)n1 ZINC001049373560 1240714963 /nfs/dbraw/zinc/71/49/63/1240714963.db2.gz VBKDTJXCFOOUDI-WQVCFCJDSA-N 1 2 328.416 2.277 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1coc(C2CC2)n1 ZINC001049373560 1240714968 /nfs/dbraw/zinc/71/49/68/1240714968.db2.gz VBKDTJXCFOOUDI-WQVCFCJDSA-N 1 2 328.416 2.277 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2CCCc3c[nH]nc32)CC1 ZINC001000685200 1240731634 /nfs/dbraw/zinc/73/16/34/1240731634.db2.gz GJHXAIOZBIDHRL-HNNXBMFYSA-N 1 2 334.851 2.330 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCCc3c[nH]nc32)CC1 ZINC001000685200 1240731642 /nfs/dbraw/zinc/73/16/42/1240731642.db2.gz GJHXAIOZBIDHRL-HNNXBMFYSA-N 1 2 334.851 2.330 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cncc3[nH]cnc32)CC1 ZINC001000713345 1240780027 /nfs/dbraw/zinc/78/00/27/1240780027.db2.gz CVMRAGTYPYEFNP-UHFFFAOYSA-N 1 2 331.807 2.072 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cncc3[nH]cnc32)CC1 ZINC001000713345 1240780028 /nfs/dbraw/zinc/78/00/28/1240780028.db2.gz CVMRAGTYPYEFNP-UHFFFAOYSA-N 1 2 331.807 2.072 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2cscn2)c1 ZINC001049400874 1240793448 /nfs/dbraw/zinc/79/34/48/1240793448.db2.gz KQJFUSQDSYEAEY-HZPDHXFCSA-N 1 2 341.440 2.222 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2cscn2)c1 ZINC001049400874 1240793457 /nfs/dbraw/zinc/79/34/57/1240793457.db2.gz KQJFUSQDSYEAEY-HZPDHXFCSA-N 1 2 341.440 2.222 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cc(C3CC3)n(C)n2)CC1 ZINC001000755719 1240871294 /nfs/dbraw/zinc/87/12/94/1240871294.db2.gz ZLBZJKAKGVPNJX-UHFFFAOYSA-N 1 2 334.851 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cc(C3CC3)n(C)n2)CC1 ZINC001000755719 1240871300 /nfs/dbraw/zinc/87/13/00/1240871300.db2.gz ZLBZJKAKGVPNJX-UHFFFAOYSA-N 1 2 334.851 2.412 20 30 EEEDLO CN(c1ncccc1C#N)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001057068292 1241578522 /nfs/dbraw/zinc/57/85/22/1241578522.db2.gz VGLAONXEHPCDSS-OAHLLOKOSA-N 1 2 346.394 2.180 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1nnc(C)n1CC ZINC001049636263 1241721644 /nfs/dbraw/zinc/72/16/44/1241721644.db2.gz QQTXZSBGTMEHRZ-CVEARBPZSA-N 1 2 345.491 2.384 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1nnc(C)n1CC ZINC001049636263 1241721649 /nfs/dbraw/zinc/72/16/49/1241721649.db2.gz QQTXZSBGTMEHRZ-CVEARBPZSA-N 1 2 345.491 2.384 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2cn(C)nn2)CC1 ZINC001049696485 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/nfs/dbraw/zinc/90/89/14/1246908914.db2.gz RNWXAIFLYMIYTG-KRWDZBQOSA-N 1 2 342.439 2.401 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(-c3ccco3)on1)CO2 ZINC001053886404 1246968127 /nfs/dbraw/zinc/96/81/27/1246968127.db2.gz JRPYZRAFIGUWLA-ZDUSSCGKSA-N 1 2 343.383 2.084 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3c(c1)C[C@@H](C)O3)CO2 ZINC001053955997 1247064383 /nfs/dbraw/zinc/06/43/83/1247064383.db2.gz WSJKQKWMWWLLDF-RHSMWYFYSA-N 1 2 342.439 2.159 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CCc3ccccc31)CO2 ZINC001053960748 1247071834 /nfs/dbraw/zinc/07/18/34/1247071834.db2.gz HNVIPMFAISGRLE-ROUUACIJSA-N 1 2 338.451 2.089 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3cnccc3c1)CO2 ZINC001053974001 1247089486 /nfs/dbraw/zinc/08/94/86/1247089486.db2.gz FBIRUNWSQQDSIU-SFHVURJKSA-N 1 2 337.423 2.384 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3ccccc3c1)CO2 ZINC001053990722 1247117089 /nfs/dbraw/zinc/11/70/89/1247117089.db2.gz HICYOSCZOARYQY-LJQANCHMSA-N 1 2 334.419 2.436 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)c1cccc(F)c1)CO2 ZINC001054012334 1247145357 /nfs/dbraw/zinc/14/53/57/1247145357.db2.gz AYZQTOWLQSINAO-PBHICJAKSA-N 1 2 332.419 2.465 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(F)c3occc31)CO2 ZINC001054012819 1247147149 /nfs/dbraw/zinc/14/71/49/1247147149.db2.gz IPUZGYJUNSMSQZ-ZDUSSCGKSA-N 1 2 342.370 2.168 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1Cc2ccccc2O1 ZINC001054046988 1247226252 /nfs/dbraw/zinc/22/62/52/1247226252.db2.gz UVVQVXMEXKXXFI-TZIWHRDSSA-N 1 2 346.430 2.166 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1Cc2ccccc2O1 ZINC001054046988 1247226262 /nfs/dbraw/zinc/22/62/62/1247226262.db2.gz UVVQVXMEXKXXFI-TZIWHRDSSA-N 1 2 346.430 2.166 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ncc2n1CCCC2 ZINC001054058946 1247267495 /nfs/dbraw/zinc/26/74/95/1247267495.db2.gz BLISOXGWOUDTCZ-LJQANCHMSA-N 1 2 348.450 2.009 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ncc2n1CCCC2 ZINC001054058946 1247267503 /nfs/dbraw/zinc/26/75/03/1247267503.db2.gz BLISOXGWOUDTCZ-LJQANCHMSA-N 1 2 348.450 2.009 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@]2(CC[N@H+](Cc3cnn(C)n3)C2)C1 ZINC001054192258 1247669596 /nfs/dbraw/zinc/66/95/96/1247669596.db2.gz SORCLMRRYIVGRQ-RTBURBONSA-N 1 2 345.491 2.232 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3cnn(C)n3)C2)C1 ZINC001054192258 1247669609 /nfs/dbraw/zinc/66/96/09/1247669609.db2.gz SORCLMRRYIVGRQ-RTBURBONSA-N 1 2 345.491 2.232 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3c(C)nn(C)c3Cl)cc2C1 ZINC001054276544 1247984050 /nfs/dbraw/zinc/98/40/50/1247984050.db2.gz HVMSTWJNSWQKNI-UHFFFAOYSA-N 1 2 342.830 2.261 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3c(C)nn(C)c3Cl)cc2C1 ZINC001054276544 1247984055 /nfs/dbraw/zinc/98/40/55/1247984055.db2.gz HVMSTWJNSWQKNI-UHFFFAOYSA-N 1 2 342.830 2.261 20 30 EEEDLO Cc1nsc(N[C@@H]2C[C@H](C)N(C(=O)CCn3cc[nH+]c3)C2)c1C#N ZINC001069180714 1252416823 /nfs/dbraw/zinc/41/68/23/1252416823.db2.gz KTZIOMRSUMUCBY-WCQYABFASA-N 1 2 344.444 2.011 20 30 EEEDLO CC(C)C[C@H](C(=O)NC[C@@H](C)Nc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001098107987 1253418644 /nfs/dbraw/zinc/41/86/44/1253418644.db2.gz XJODZGYIAHKDPU-GDBMZVCRSA-N 1 2 340.431 2.354 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccccc3C#N)C2)cnn1 ZINC001071471469 1254241674 /nfs/dbraw/zinc/24/16/74/1254241674.db2.gz ZNPMRNXFCFQSGK-HNAYVOBHSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ccccc3C#N)C2)cnn1 ZINC001071471469 1254241677 /nfs/dbraw/zinc/24/16/77/1254241677.db2.gz ZNPMRNXFCFQSGK-HNAYVOBHSA-N 1 2 349.438 2.440 20 30 EEEDLO C#CC[N@H+]1C[C@H](NC(=O)c2scnc2C(F)(F)F)CC[C@@H]1C ZINC001071581009 1254372409 /nfs/dbraw/zinc/37/24/09/1254372409.db2.gz YOZQBNFKBSHMHJ-VHSXEESVSA-N 1 2 331.363 2.378 20 30 EEEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2scnc2C(F)(F)F)CC[C@@H]1C ZINC001071581009 1254372418 /nfs/dbraw/zinc/37/24/18/1254372418.db2.gz YOZQBNFKBSHMHJ-VHSXEESVSA-N 1 2 331.363 2.378 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2nnn(CC)c2CC)CC[C@@H]1C ZINC001071825101 1254684720 /nfs/dbraw/zinc/68/47/20/1254684720.db2.gz RAMDNOULQNADDH-QWHCGFSZSA-N 1 2 339.871 2.196 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2nnn(CC)c2CC)CC[C@@H]1C ZINC001071825101 1254684732 /nfs/dbraw/zinc/68/47/32/1254684732.db2.gz RAMDNOULQNADDH-QWHCGFSZSA-N 1 2 339.871 2.196 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc3nncn3c2)CC[C@@H]1C ZINC001071887123 1254752156 /nfs/dbraw/zinc/75/21/56/1254752156.db2.gz PSASYSSXGUYEJE-GXTWGEPZSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc3nncn3c2)CC[C@@H]1C ZINC001071887123 1254752163 /nfs/dbraw/zinc/75/21/63/1254752163.db2.gz PSASYSSXGUYEJE-GXTWGEPZSA-N 1 2 333.823 2.065 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CCC4(CC4)CC3)C[C@@H]21 ZINC001074300599 1256883919 /nfs/dbraw/zinc/88/39/19/1256883919.db2.gz XQTUKHLIGJOTQA-ZWKOTPCHSA-N 1 2 330.472 2.282 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CCC4(CC4)CC3)C[C@@H]21 ZINC001074300599 1256883931 /nfs/dbraw/zinc/88/39/31/1256883931.db2.gz XQTUKHLIGJOTQA-ZWKOTPCHSA-N 1 2 330.472 2.282 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C4CCC4)CCC3)C[C@H]21 ZINC001074305814 1256899317 /nfs/dbraw/zinc/89/93/17/1256899317.db2.gz YEXDMQKKKQCQSF-QZTJIDSGSA-N 1 2 330.472 2.282 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C4CCC4)CCC3)C[C@H]21 ZINC001074305814 1256899326 /nfs/dbraw/zinc/89/93/26/1256899326.db2.gz YEXDMQKKKQCQSF-QZTJIDSGSA-N 1 2 330.472 2.282 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(F)c(OC)c3)C[C@H]21 ZINC001074342780 1256922216 /nfs/dbraw/zinc/92/22/16/1256922216.db2.gz BERJBPZRAQFPEF-SJORKVTESA-N 1 2 348.418 2.326 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(F)c(OC)c3)C[C@H]21 ZINC001074342780 1256922220 /nfs/dbraw/zinc/92/22/20/1256922220.db2.gz BERJBPZRAQFPEF-SJORKVTESA-N 1 2 348.418 2.326 20 30 EEEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3coc(CCC)n3)C[C@H]21 ZINC001074382393 1256960934 /nfs/dbraw/zinc/96/09/34/1256960934.db2.gz JWCQMPGMINTBSI-HZPDHXFCSA-N 1 2 333.432 2.119 20 30 EEEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3coc(CCC)n3)C[C@H]21 ZINC001074382393 1256960939 /nfs/dbraw/zinc/96/09/39/1256960939.db2.gz JWCQMPGMINTBSI-HZPDHXFCSA-N 1 2 333.432 2.119 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cncc(F)c3)C[C@H]21 ZINC001074418882 1257004908 /nfs/dbraw/zinc/00/49/08/1257004908.db2.gz BKWDGIGSHFTXHT-QZTJIDSGSA-N 1 2 347.434 2.031 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cncc(F)c3)C[C@H]21 ZINC001074418882 1257004918 /nfs/dbraw/zinc/00/49/18/1257004918.db2.gz BKWDGIGSHFTXHT-QZTJIDSGSA-N 1 2 347.434 2.031 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001074887595 1257194583 /nfs/dbraw/zinc/19/45/83/1257194583.db2.gz XCHMBEXRKRPJPO-GDBMZVCRSA-N 1 2 345.443 2.095 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001075100774 1257375155 /nfs/dbraw/zinc/37/51/55/1257375155.db2.gz AXHRFJYJYFXHNG-HOTGVXAUSA-N 1 2 346.475 2.205 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001098514684 1257715854 /nfs/dbraw/zinc/71/58/54/1257715854.db2.gz GBBWKXYHSCSNKH-DFBGVHRSSA-N 1 2 341.440 2.187 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001098514684 1257715858 /nfs/dbraw/zinc/71/58/58/1257715858.db2.gz GBBWKXYHSCSNKH-DFBGVHRSSA-N 1 2 341.440 2.187 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)C(CC)CC)C2)nn1 ZINC001098687820 1257760942 /nfs/dbraw/zinc/76/09/42/1257760942.db2.gz FDWCYVIXKFDXIY-YJBOKZPZSA-N 1 2 345.491 2.237 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ncc(C)o1 ZINC001099074234 1257958632 /nfs/dbraw/zinc/95/86/32/1257958632.db2.gz JUFXVXXJHZFIJN-HZPDHXFCSA-N 1 2 347.459 2.128 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ncc(C)o1 ZINC001099074234 1257958643 /nfs/dbraw/zinc/95/86/43/1257958643.db2.gz JUFXVXXJHZFIJN-HZPDHXFCSA-N 1 2 347.459 2.128 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2conc2COC)C1 ZINC001099117300 1257978485 /nfs/dbraw/zinc/97/84/85/1257978485.db2.gz MCYGTZPQBBEILY-LRDDRELGSA-N 1 2 339.823 2.158 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2conc2COC)C1 ZINC001099117300 1257978489 /nfs/dbraw/zinc/97/84/89/1257978489.db2.gz MCYGTZPQBBEILY-LRDDRELGSA-N 1 2 339.823 2.158 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001099947711 1258462788 /nfs/dbraw/zinc/46/27/88/1258462788.db2.gz ZIVAODITCVZHQP-MSOLQXFVSA-N 1 2 341.455 2.212 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001099947711 1258462794 /nfs/dbraw/zinc/46/27/94/1258462794.db2.gz ZIVAODITCVZHQP-MSOLQXFVSA-N 1 2 341.455 2.212 20 30 EEEDLO C=CCOCCCC(=O)NCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001099997042 1258482034 /nfs/dbraw/zinc/48/20/34/1258482034.db2.gz XAVYRTIGXQCDCS-UHFFFAOYSA-N 1 2 334.464 2.444 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001100792134 1259263237 /nfs/dbraw/zinc/26/32/37/1259263237.db2.gz 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344.459 2.104 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1C[N@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001101806185 1299895700 /nfs/dbraw/zinc/89/57/00/1299895700.db2.gz FZJYCFAJYWVARL-CHWSQXEVSA-N 1 2 338.477 2.087 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1C[N@@H+](Cc2nnc(OCC)s2)C[C@H]1C ZINC001101806185 1299895709 /nfs/dbraw/zinc/89/57/09/1299895709.db2.gz FZJYCFAJYWVARL-CHWSQXEVSA-N 1 2 338.477 2.087 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC1CC[NH+](Cc2nnc(C3CC3)[nH]2)CC1 ZINC001224165043 1300460441 /nfs/dbraw/zinc/46/04/41/1300460441.db2.gz FFROMAUBXFLZCC-UONOGXRCSA-N 1 2 345.491 2.469 20 30 EEEDLO C=CCCC1(C(=O)NCC2CC[NH+](Cc3ncnn3CC)CC2)CC1 ZINC001224394114 1300574717 /nfs/dbraw/zinc/57/47/17/1300574717.db2.gz MRJGMNNSEDLQBX-UHFFFAOYSA-N 1 2 345.491 2.373 20 30 EEEDLO Cc1nc(N2CC[C@H](CCNC(=O)[C@@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001102302688 1300778144 /nfs/dbraw/zinc/77/81/44/1300778144.db2.gz ZAVZHYXJNDAVPT-ZFWWWQNUSA-N 1 2 341.459 2.156 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H](C)OCC2CC2)CC1 ZINC001226431315 1301409072 /nfs/dbraw/zinc/40/90/72/1301409072.db2.gz XXCNCKYNDJYAEN-LBPRGKRZSA-N 1 2 345.281 2.291 20 30 EEEDLO C[C@@H](C#N)C(=O)NC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC001226639967 1301490424 /nfs/dbraw/zinc/49/04/24/1301490424.db2.gz JIJTYXZCINAZPK-LBPRGKRZSA-N 1 2 348.834 2.019 20 30 EEEDLO C=CCOCCCC(=O)NC1CC[NH+](CC(=C)Br)CC1 ZINC001226759832 1301542787 /nfs/dbraw/zinc/54/27/87/1301542787.db2.gz BSSRSKFHJPFIGR-UHFFFAOYSA-N 1 2 345.281 2.458 20 30 EEEDLO CCN(C(=O)[C@H](C)C#N)[C@@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001102786376 1301614757 /nfs/dbraw/zinc/61/47/57/1301614757.db2.gz BNPRRIVAILFISD-UKRRQHHQSA-N 1 2 341.459 2.251 20 30 EEEDLO CSc1nc(C)c2ccc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@H+]4C)nc2n1 ZINC001227747104 1301951512 /nfs/dbraw/zinc/95/15/12/1301951512.db2.gz XEHAYHYWRWLQJN-HJTUNCCVSA-N 1 2 344.440 2.046 20 30 EEEDLO CSc1nc(C)c2ccc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@@H+]4C)nc2n1 ZINC001227747104 1301951517 /nfs/dbraw/zinc/95/15/17/1301951517.db2.gz XEHAYHYWRWLQJN-HJTUNCCVSA-N 1 2 344.440 2.046 20 30 EEEDLO CCOC(=O)c1cc2cc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@H+]4C)ccc2[nH]1 ZINC001227862007 1301990671 /nfs/dbraw/zinc/99/06/71/1301990671.db2.gz XNNKMLFNKAVHBT-PCPMLKTASA-N 1 2 342.395 2.336 20 30 EEEDLO CCOC(=O)c1cc2cc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@@H+]4C)ccc2[nH]1 ZINC001227862007 1301990677 /nfs/dbraw/zinc/99/06/77/1301990677.db2.gz XNNKMLFNKAVHBT-PCPMLKTASA-N 1 2 342.395 2.336 20 30 EEEDLO C=CC(C)(C)C(=O)NC1CC[NH+]([C@H](C)c2nc(COC)no2)CC1 ZINC001228631438 1302346347 /nfs/dbraw/zinc/34/63/47/1302346347.db2.gz LTVZTNIULTVVON-GFCCVEGCSA-N 1 2 336.436 2.070 20 30 EEEDLO CCCCCCCNC(=O)N1CC[C@H]2C[N@H+](COCCOC)C[C@H]21 ZINC001277330594 1302454771 /nfs/dbraw/zinc/45/47/71/1302454771.db2.gz NGHVWXNHIWATDW-DLBZAZTESA-N 1 2 341.496 2.293 20 30 EEEDLO CCCCCCCNC(=O)N1CC[C@H]2C[N@@H+](COCCOC)C[C@H]21 ZINC001277330594 1302454778 /nfs/dbraw/zinc/45/47/78/1302454778.db2.gz NGHVWXNHIWATDW-DLBZAZTESA-N 1 2 341.496 2.293 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC1CC[NH+](Cc2noc3c2COCC3)CC1 ZINC001229016667 1302572165 /nfs/dbraw/zinc/57/21/65/1302572165.db2.gz MMONAQIORCDZHT-LJQANCHMSA-N 1 2 347.459 2.430 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@H](CC)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001103287331 1302652698 /nfs/dbraw/zinc/65/26/98/1302652698.db2.gz HUHAIINFXQDHPH-JSGCOSHPSA-N 1 2 334.468 2.155 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H](CC)Nc1[nH+]cnc2c1cnn2C ZINC001103287239 1302652878 /nfs/dbraw/zinc/65/28/78/1302652878.db2.gz GPFYCZHTDKRGCG-STQMWFEESA-N 1 2 330.436 2.272 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](CC)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001103288368 1302655037 /nfs/dbraw/zinc/65/50/37/1302655037.db2.gz YIXFJEGRMOMSBJ-UONOGXRCSA-N 1 2 334.468 2.155 20 30 EEEDLO Cc1ccnc(Br)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001229206130 1302672108 /nfs/dbraw/zinc/67/21/08/1302672108.db2.gz FYHFNOBICFEGBA-NJFCNUMCSA-N 1 2 325.206 2.144 20 30 EEEDLO Cc1ccnc(Br)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001229206130 1302672118 /nfs/dbraw/zinc/67/21/18/1302672118.db2.gz FYHFNOBICFEGBA-NJFCNUMCSA-N 1 2 325.206 2.144 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)CCn2cccc2)CC1 ZINC001229731249 1302927428 /nfs/dbraw/zinc/92/74/28/1302927428.db2.gz ANXFIFLTUDHYDW-UHFFFAOYSA-N 1 2 340.265 2.367 20 30 EEEDLO C[C@](CNc1ccc(C#N)nc1)(NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001103582241 1303132357 /nfs/dbraw/zinc/13/23/57/1303132357.db2.gz PPEBIXJZSJCIMC-GOSISDBHSA-N 1 2 338.415 2.006 20 30 EEEDLO C[C@](CNc1ccc(C#N)nc1)(NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001103582241 1303132361 /nfs/dbraw/zinc/13/23/61/1303132361.db2.gz PPEBIXJZSJCIMC-GOSISDBHSA-N 1 2 338.415 2.006 20 30 EEEDLO N#Cc1ccc(NCc2ccc(CNC(=O)Cn3cc[nH+]c3)cc2)nc1 ZINC001103663074 1303198124 /nfs/dbraw/zinc/19/81/24/1303198124.db2.gz IPXWHCOLHSYTFE-UHFFFAOYSA-N 1 2 346.394 2.078 20 30 EEEDLO N#Cc1c(F)cccc1N1CCC[C@@H]1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001103756599 1303301985 /nfs/dbraw/zinc/30/19/85/1303301985.db2.gz QGOBCCBPZKSXHE-CYBMUJFWSA-N 1 2 341.390 2.138 20 30 EEEDLO CC(C)OCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001230838594 1303492096 /nfs/dbraw/zinc/49/20/96/1303492096.db2.gz PIJHAZFZOJVCCY-LJQANCHMSA-N 1 2 328.456 2.386 20 30 EEEDLO CC(C)OCCC(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001230838594 1303492101 /nfs/dbraw/zinc/49/21/01/1303492101.db2.gz PIJHAZFZOJVCCY-LJQANCHMSA-N 1 2 328.456 2.386 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)[C@H](C)SC)cc1C#N ZINC001230843829 1303495154 /nfs/dbraw/zinc/49/51/54/1303495154.db2.gz BOCTXKXMYKPKQC-XJKSGUPXSA-N 1 2 347.484 2.351 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CN(C)C(=O)[C@H](C)SC)cc1C#N ZINC001230843829 1303495156 /nfs/dbraw/zinc/49/51/56/1303495156.db2.gz BOCTXKXMYKPKQC-XJKSGUPXSA-N 1 2 347.484 2.351 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001104100099 1303556948 /nfs/dbraw/zinc/55/69/48/1303556948.db2.gz XNEXLOADJXKBPW-CQSZACIVSA-N 1 2 345.491 2.231 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001104100099 1303556953 /nfs/dbraw/zinc/55/69/53/1303556953.db2.gz XNEXLOADJXKBPW-CQSZACIVSA-N 1 2 345.491 2.231 20 30 EEEDLO CC[C@H](OC)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001231102389 1303630923 /nfs/dbraw/zinc/63/09/23/1303630923.db2.gz HWKGDZDVBDUFSQ-RDJZCZTQSA-N 1 2 333.407 2.155 20 30 EEEDLO CC[C@H](OC)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001231102389 1303630930 /nfs/dbraw/zinc/63/09/30/1303630930.db2.gz HWKGDZDVBDUFSQ-RDJZCZTQSA-N 1 2 333.407 2.155 20 30 EEEDLO COCCCOc1cc(C[NH+]2CCN(CCC#N)CC2)ccc1OC ZINC001231611688 1303865070 /nfs/dbraw/zinc/86/50/70/1303865070.db2.gz GXVVJPAUBHSJEZ-UHFFFAOYSA-N 1 2 347.459 2.142 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(=O)Nc2ccccc2)C1 ZINC001111799973 1303905050 /nfs/dbraw/zinc/90/50/50/1303905050.db2.gz SGFIKBWMHHLLTE-KSSFIOAISA-N 1 2 347.846 2.348 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(=O)Nc2ccccc2)C1 ZINC001111799973 1303905052 /nfs/dbraw/zinc/90/50/52/1303905052.db2.gz SGFIKBWMHHLLTE-KSSFIOAISA-N 1 2 347.846 2.348 20 30 EEEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnon1)C2 ZINC001111833635 1303967566 /nfs/dbraw/zinc/96/75/66/1303967566.db2.gz AOCBXYZWRZOCFP-YJBOKZPZSA-N 1 2 330.432 2.124 20 30 EEEDLO C#CCCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnon1)C2 ZINC001111833635 1303967569 /nfs/dbraw/zinc/96/75/69/1303967569.db2.gz AOCBXYZWRZOCFP-YJBOKZPZSA-N 1 2 330.432 2.124 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[N@@H+]2Cc2cc(C#N)ccn2)C1 ZINC001232478378 1304140972 /nfs/dbraw/zinc/14/09/72/1304140972.db2.gz URNIJGNYDOAEBP-GOEBONIOSA-N 1 2 328.416 2.394 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[N@H+]2Cc2cc(C#N)ccn2)C1 ZINC001232478378 1304140977 /nfs/dbraw/zinc/14/09/77/1304140977.db2.gz URNIJGNYDOAEBP-GOEBONIOSA-N 1 2 328.416 2.394 20 30 EEEDLO Cc1nnc(CO[NH+]=C(N)c2ccc(Br)cc2)s1 ZINC000782948264 1304158667 /nfs/dbraw/zinc/15/86/67/1304158667.db2.gz IZOKCVDNGUADAL-UHFFFAOYSA-N 1 2 327.207 2.446 20 30 EEEDLO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1cc(C#N)ccc1O)CC2 ZINC001232674311 1304209838 /nfs/dbraw/zinc/20/98/38/1304209838.db2.gz VXXHNPGHNBJMGE-UHFFFAOYSA-N 1 2 341.411 2.484 20 30 EEEDLO Cc1noc([C@H]2C[C@@H]3CC[N@H+](Cc4cc(C#N)ccc4O)C[C@H]3O2)n1 ZINC001232674958 1304210407 /nfs/dbraw/zinc/21/04/07/1304210407.db2.gz ICEJDARXUZHRMJ-IAOVAPTHSA-N 1 2 340.383 2.307 20 30 EEEDLO Cc1noc([C@H]2C[C@@H]3CC[N@@H+](Cc4cc(C#N)ccc4O)C[C@H]3O2)n1 ZINC001232674958 1304210412 /nfs/dbraw/zinc/21/04/12/1304210412.db2.gz ICEJDARXUZHRMJ-IAOVAPTHSA-N 1 2 340.383 2.307 20 30 EEEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)c1 ZINC001232673520 1304210470 /nfs/dbraw/zinc/21/04/70/1304210470.db2.gz IEMBNTPOTLCNKD-KGLIPLIRSA-N 1 2 332.297 2.491 20 30 EEEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)c1 ZINC001232673520 1304210473 /nfs/dbraw/zinc/21/04/73/1304210473.db2.gz IEMBNTPOTLCNKD-KGLIPLIRSA-N 1 2 332.297 2.491 20 30 EEEDLO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3cc(C#N)ccc3O)O2)n1 ZINC001232678029 1304213285 /nfs/dbraw/zinc/21/32/85/1304213285.db2.gz 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C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C(F)=C1CCCC1 ZINC001233682232 1304558070 /nfs/dbraw/zinc/55/80/70/1304558070.db2.gz DVZNYZFHCWBJMB-UKRRQHHQSA-N 1 2 337.439 2.007 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C(F)=C1CCCC1 ZINC001233682232 1304558074 /nfs/dbraw/zinc/55/80/74/1304558074.db2.gz DVZNYZFHCWBJMB-UKRRQHHQSA-N 1 2 337.439 2.007 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(CC)CC(=C)C ZINC001233761651 1304581063 /nfs/dbraw/zinc/58/10/63/1304581063.db2.gz LNLYXUONWASJHC-GOSISDBHSA-N 1 2 347.503 2.137 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(CC)CC(=C)C ZINC001233761651 1304581066 /nfs/dbraw/zinc/58/10/66/1304581066.db2.gz LNLYXUONWASJHC-GOSISDBHSA-N 1 2 347.503 2.137 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC1CCCC1 ZINC001233802556 1304599465 /nfs/dbraw/zinc/59/94/65/1304599465.db2.gz XANLGKWRQURKRY-AEFFLSMTSA-N 1 2 347.503 2.160 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC1CCCC1 ZINC001233802556 1304599467 /nfs/dbraw/zinc/59/94/67/1304599467.db2.gz XANLGKWRQURKRY-AEFFLSMTSA-N 1 2 347.503 2.160 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC(CC)CC ZINC001233802700 1304599574 /nfs/dbraw/zinc/59/95/74/1304599574.db2.gz ZGCFHWXTKRELLM-AEFFLSMTSA-N 1 2 349.519 2.406 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC(CC)CC ZINC001233802700 1304599577 /nfs/dbraw/zinc/59/95/77/1304599577.db2.gz ZGCFHWXTKRELLM-AEFFLSMTSA-N 1 2 349.519 2.406 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)CC ZINC001233926880 1304642756 /nfs/dbraw/zinc/64/27/56/1304642756.db2.gz ULWPOGAVMSKUFM-IAGOWNOFSA-N 1 2 337.508 2.380 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)CC ZINC001233926880 1304642759 /nfs/dbraw/zinc/64/27/59/1304642759.db2.gz ULWPOGAVMSKUFM-IAGOWNOFSA-N 1 2 337.508 2.380 20 30 EEEDLO COCC1(CC(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001234236290 1304816799 /nfs/dbraw/zinc/81/67/99/1304816799.db2.gz 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C=CCCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001115323479 1304942004 /nfs/dbraw/zinc/94/20/04/1304942004.db2.gz AEKALWFCSOLPFS-QLPKVWCKSA-N 1 2 347.484 2.160 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCN(C(C)C)C1=O ZINC001234509775 1304946687 /nfs/dbraw/zinc/94/66/87/1304946687.db2.gz PPQCQNMLAAFIJY-ROUUACIJSA-N 1 2 347.503 2.297 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCN(C(C)C)C1=O ZINC001234509775 1304946689 /nfs/dbraw/zinc/94/66/89/1304946689.db2.gz PPQCQNMLAAFIJY-ROUUACIJSA-N 1 2 347.503 2.297 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCN(CC=C)C1=O ZINC001234517138 1304949384 /nfs/dbraw/zinc/94/93/84/1304949384.db2.gz JALRZBVJQDTYLE-ZWKOTPCHSA-N 1 2 345.487 2.074 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCN(CC=C)C1=O ZINC001234517138 1304949388 /nfs/dbraw/zinc/94/93/88/1304949388.db2.gz JALRZBVJQDTYLE-ZWKOTPCHSA-N 1 2 345.487 2.074 20 30 EEEDLO 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C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N[C@@H](C)C1CC1 ZINC001234553848 1304965589 /nfs/dbraw/zinc/96/55/89/1304965589.db2.gz AUZMOUMFRQWIOR-HOCLYGCPSA-N 1 2 335.492 2.036 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000798274367 1304968785 /nfs/dbraw/zinc/96/87/85/1304968785.db2.gz CQQQILJTMUOCDX-GXTWGEPZSA-N 1 2 335.379 2.380 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NCCC[N@@H+](C)[C@H](C)c1nc(CC)no1 ZINC001235230762 1305159497 /nfs/dbraw/zinc/15/94/97/1305159497.db2.gz UXOSDVSXWOSESL-KGLIPLIRSA-N 1 2 338.452 2.112 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NCCC[N@H+](C)[C@H](C)c1nc(CC)no1 ZINC001235230762 1305159501 /nfs/dbraw/zinc/15/95/01/1305159501.db2.gz UXOSDVSXWOSESL-KGLIPLIRSA-N 1 2 338.452 2.112 20 30 EEEDLO Cc1cc(N[C@@H](C)CN(C)C(=O)c2ccc(C#N)[nH]2)nc(C2CC2)[nH+]1 ZINC001115683646 1305610313 /nfs/dbraw/zinc/61/03/13/1305610313.db2.gz FCEGREDMWHKOSG-LBPRGKRZSA-N 1 2 338.415 2.435 20 30 EEEDLO N#Cc1cccc(N2CCCC[C@]23CC(=O)N(CCn2cc[nH+]c2)C3)c1 ZINC001278019270 1305700585 /nfs/dbraw/zinc/70/05/85/1305700585.db2.gz MBCDUCDUAAOSRP-HXUWFJFHSA-N 1 2 349.438 2.416 20 30 EEEDLO CN(CC#N)Cc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001237097988 1305792872 /nfs/dbraw/zinc/79/28/72/1305792872.db2.gz FMACZSLJQZDESX-UHFFFAOYSA-N 1 2 337.265 2.156 20 30 EEEDLO COC[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)Cc2nn(CC3CC3)cc21 ZINC001237464326 1305945544 /nfs/dbraw/zinc/94/55/44/1305945544.db2.gz SFNWPIBYGIARJO-INIZCTEOSA-N 1 2 337.427 2.306 20 30 EEEDLO COC[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)Cc2nn(CC3CC3)cc21 ZINC001237464326 1305945545 /nfs/dbraw/zinc/94/55/45/1305945545.db2.gz SFNWPIBYGIARJO-INIZCTEOSA-N 1 2 337.427 2.306 20 30 EEEDLO C#CC[C@H](CC)c1nnc(N2CC[NH+](Cc3ccccn3)CC2)n1C ZINC001121242237 1309956879 /nfs/dbraw/zinc/95/68/79/1309956879.db2.gz QLDIMDYBYKGBLI-INIZCTEOSA-N 1 2 338.459 2.049 20 30 EEEDLO CC#CC[NH2+]C1CC2(CC(NC(=O)c3cccc(-c4nnc[nH]4)c3)C2)C1 ZINC001121508614 1310033748 /nfs/dbraw/zinc/03/37/48/1310033748.db2.gz RJBLHPPHIXFFTO-UHFFFAOYSA-N 1 2 349.438 2.126 20 30 EEEDLO Cc1nc(N2CCC[C@H](NC(=O)CSCC#N)[C@@H]2C)c(C)c(C)[nH+]1 ZINC001123536320 1310607643 /nfs/dbraw/zinc/60/76/43/1310607643.db2.gz AGYHVMZSOXNTHA-ZFWWWQNUSA-N 1 2 347.488 2.132 20 30 EEEDLO C#CC[C@H]([NH3+])c1nc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)no1 ZINC001247610245 1310646353 /nfs/dbraw/zinc/64/63/53/1310646353.db2.gz VXFLFFXJYIEBTJ-JTQLQIEISA-N 1 2 345.302 2.053 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1C[C@H](Nc2cc[nH+]c(C)n2)C(C)(C)C1 ZINC001123920692 1310767160 /nfs/dbraw/zinc/76/71/60/1310767160.db2.gz PSCJLRUUOMLIJZ-HIFRSBDPSA-N 1 2 332.448 2.415 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C[C@H](O)CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001124774779 1310948342 /nfs/dbraw/zinc/94/83/42/1310948342.db2.gz ACVRVOYWIZQVTM-OAHLLOKOSA-N 1 2 344.459 2.250 20 30 EEEDLO C#CCOc1ccc(CN2CC([NH+]3C[C@@H](C)O[C@H](C)C3)C2)cc1OC ZINC001138347796 1314603429 /nfs/dbraw/zinc/60/34/29/1314603429.db2.gz LDWOZOUSEWQALY-HZPDHXFCSA-N 1 2 344.455 2.001 20 30 EEEDLO C=CCOc1ccccc1C[N@@H+]1Cc2nnn(C)c2[C@@H](COC)C1 ZINC001139029403 1314690427 /nfs/dbraw/zinc/69/04/27/1314690427.db2.gz XBKPJMVGSJTPPA-OAHLLOKOSA-N 1 2 328.416 2.126 20 30 EEEDLO C=CCOc1ccccc1C[N@H+]1Cc2nnn(C)c2[C@@H](COC)C1 ZINC001139029403 1314690429 /nfs/dbraw/zinc/69/04/29/1314690429.db2.gz XBKPJMVGSJTPPA-OAHLLOKOSA-N 1 2 328.416 2.126 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000834644970 1314857517 /nfs/dbraw/zinc/85/75/17/1314857517.db2.gz WBPMVBVRTWJJPV-KRWDZBQOSA-N 1 2 337.423 2.243 20 30 EEEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cnc(Cl)nc1NC)CC2 ZINC001142483257 1315627329 /nfs/dbraw/zinc/62/73/29/1315627329.db2.gz XYSOUXDYVWSVAB-UHFFFAOYSA-N 1 2 349.866 2.315 20 30 EEEDLO N#Cc1ccc(C[NH2+]CCNC(=O)c2n[nH]c3ccccc32)c(F)c1 ZINC001149686256 1316015028 /nfs/dbraw/zinc/01/50/28/1316015028.db2.gz BCMHDFGYLUORTF-UHFFFAOYSA-N 1 2 337.358 2.093 20 30 EEEDLO COCCC1(NC(=O)C#CC(C)C)CC[NH+](Cc2nocc2C)CC1 ZINC001151115066 1316451998 /nfs/dbraw/zinc/45/19/98/1316451998.db2.gz PDHKZLCPIBVYNC-UHFFFAOYSA-N 1 2 347.459 2.130 20 30 EEEDLO C#CCC1(C(=O)NCC[NH2+]Cc2nc(CC3CC3)no2)CCCCC1 ZINC001153009800 1316758308 /nfs/dbraw/zinc/75/83/08/1316758308.db2.gz UOEYBHOLEKUPMR-UHFFFAOYSA-N 1 2 344.459 2.202 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C2CC2)o1 ZINC001153011980 1316758826 /nfs/dbraw/zinc/75/88/26/1316758826.db2.gz ACVVWUVISAKFQN-ACJLOTCBSA-N 1 2 335.448 2.206 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C2CC2)o1 ZINC001153011980 1316758829 /nfs/dbraw/zinc/75/88/29/1316758829.db2.gz ACVVWUVISAKFQN-ACJLOTCBSA-N 1 2 335.448 2.206 20 30 EEEDLO CC[N@H+](Cc1nc(-c2ccco2)no1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232837 1316794899 /nfs/dbraw/zinc/79/48/99/1316794899.db2.gz MJFXSEUSSPRCFI-CYBMUJFWSA-N 1 2 342.399 2.070 20 30 EEEDLO CC[N@@H+](Cc1nc(-c2ccco2)no1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232837 1316794900 /nfs/dbraw/zinc/79/49/00/1316794900.db2.gz MJFXSEUSSPRCFI-CYBMUJFWSA-N 1 2 342.399 2.070 20 30 EEEDLO C#CCOCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncoc1C(C)C ZINC001153302219 1316806923 /nfs/dbraw/zinc/80/69/23/1316806923.db2.gz GJFRJSGTZPXXDZ-OAHLLOKOSA-N 1 2 335.448 2.165 20 30 EEEDLO C#CCOCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncoc1C(C)C ZINC001153302219 1316806925 /nfs/dbraw/zinc/80/69/25/1316806925.db2.gz GJFRJSGTZPXXDZ-OAHLLOKOSA-N 1 2 335.448 2.165 20 30 EEEDLO C#CCOCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC001153302536 1316807193 /nfs/dbraw/zinc/80/71/93/1316807193.db2.gz PFKMDDFXYXEVGL-OAHLLOKOSA-N 1 2 345.418 2.064 20 30 EEEDLO C#CCOCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC001153302536 1316807194 /nfs/dbraw/zinc/80/71/94/1316807194.db2.gz PFKMDDFXYXEVGL-OAHLLOKOSA-N 1 2 345.418 2.064 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C(C)(C)C)on1 ZINC001153327203 1316811749 /nfs/dbraw/zinc/81/17/49/1316811749.db2.gz MFWSCYNQTFMWSO-CABCVRRESA-N 1 2 349.475 2.337 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C(C)(C)C)on1 ZINC001153327203 1316811751 /nfs/dbraw/zinc/81/17/51/1316811751.db2.gz MFWSCYNQTFMWSO-CABCVRRESA-N 1 2 349.475 2.337 20 30 EEEDLO C#CC[C@@H](CC(=O)NCC[NH2+][C@H](C)c1nc(C)no1)c1ccccc1 ZINC001153699694 1316865647 /nfs/dbraw/zinc/86/56/47/1316865647.db2.gz IPLIQTZHNMIOPD-PBHICJAKSA-N 1 2 340.427 2.342 20 30 EEEDLO COc1cc(N2CC[NH+](Cc3cc4ccc(C#N)cc4[nH]3)CC2)ncn1 ZINC001249430303 1317083908 /nfs/dbraw/zinc/08/39/08/1317083908.db2.gz LWZYPWVXKWZAEL-UHFFFAOYSA-N 1 2 348.410 2.160 20 30 EEEDLO N#C[C@H]1C[NH2+]CCN1[C@@H](F)Oc1cccc(-c2ccc(Cl)nn2)c1 ZINC001156333202 1317969112 /nfs/dbraw/zinc/96/91/12/1317969112.db2.gz WPHNLODVKKDXGK-BLLLJJGKSA-N 1 2 347.781 2.226 20 30 EEEDLO C=C(C)C(=O)OCCNc1nc(C)[nH+]c2cc(OC)c(OC)cc21 ZINC001157304821 1318555314 /nfs/dbraw/zinc/55/53/14/1318555314.db2.gz LBOUPTQOWRZYTO-UHFFFAOYSA-N 1 2 331.372 2.487 20 30 EEEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1[nH]cnc1C ZINC001157347530 1318576328 /nfs/dbraw/zinc/57/63/28/1318576328.db2.gz PRYMRRWGCUAIHS-GFCCVEGCSA-N 1 2 343.406 2.369 20 30 EEEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1[nH]cnc1C ZINC001157347530 1318576333 /nfs/dbraw/zinc/57/63/33/1318576333.db2.gz PRYMRRWGCUAIHS-GFCCVEGCSA-N 1 2 343.406 2.369 20 30 EEEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC ZINC001256287034 1318701576 /nfs/dbraw/zinc/70/15/76/1318701576.db2.gz LEVGUGJVKOGZGK-FZKQIMNGSA-N 1 2 338.448 2.483 20 30 EEEDLO COc1cc(N2CCN(c3nccc(Cl)c3C#N)CC2)cc[nH+]1 ZINC001158098569 1319012665 /nfs/dbraw/zinc/01/26/65/1319012665.db2.gz QFLFWDHLVVAKBL-UHFFFAOYSA-N 1 2 329.791 2.337 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H](Nc2cc(C#N)c3cc(Cl)ccc3n2)C[NH2+]1 ZINC001158256214 1319118178 /nfs/dbraw/zinc/11/81/78/1319118178.db2.gz JLGIIMJIKHUEQA-RISCZKNCSA-N 1 2 330.775 2.075 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc(C)on1 ZINC001158966373 1319536413 /nfs/dbraw/zinc/53/64/13/1319536413.db2.gz HAKAWYXMFQUYBE-DOTOQJQBSA-N 1 2 335.448 2.387 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc(C)on1 ZINC001158966373 1319536416 /nfs/dbraw/zinc/53/64/16/1319536416.db2.gz HAKAWYXMFQUYBE-DOTOQJQBSA-N 1 2 335.448 2.387 20 30 EEEDLO Cc1cn2c(cccc2NS(=O)(=O)Cc2ccc(C#N)cc2)[nH+]1 ZINC001260037221 1319779856 /nfs/dbraw/zinc/77/98/56/1319779856.db2.gz DMTUBCWSCAKRSL-UHFFFAOYSA-N 1 2 326.381 2.456 20 30 EEEDLO C=CCCC(=O)NCCC1=CC[N@H+]([C@H](C)c2nnnn2C2CC2)CC1 ZINC001159544560 1319872507 /nfs/dbraw/zinc/87/25/07/1319872507.db2.gz STAMBLVIQHPOAD-CQSZACIVSA-N 1 2 344.463 2.174 20 30 EEEDLO C=CCCC(=O)NCCC1=CC[N@@H+]([C@H](C)c2nnnn2C2CC2)CC1 ZINC001159544560 1319872518 /nfs/dbraw/zinc/87/25/18/1319872518.db2.gz STAMBLVIQHPOAD-CQSZACIVSA-N 1 2 344.463 2.174 20 30 EEEDLO C=CCn1cccc1C(=O)NCCC[NH2+]Cc1nnsc1Cl ZINC001159974836 1320037779 /nfs/dbraw/zinc/03/77/79/1320037779.db2.gz NDYIMOBUWOURPS-UHFFFAOYSA-N 1 2 339.852 2.089 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)CC(C)(C)O)CC1 ZINC001159978991 1320038403 /nfs/dbraw/zinc/03/84/03/1320038403.db2.gz FKGKEJZPVUSJHF-UHFFFAOYSA-N 1 2 345.281 2.194 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)CC(C)(C)O)CC1 ZINC001159978991 1320038408 /nfs/dbraw/zinc/03/84/08/1320038408.db2.gz FKGKEJZPVUSJHF-UHFFFAOYSA-N 1 2 345.281 2.194 20 30 EEEDLO CCc1noc([C@H](C)[N@H+]2CC=C(CCNC(=O)C#CC3CC3)CC2)n1 ZINC001160084823 1320067601 /nfs/dbraw/zinc/06/76/01/1320067601.db2.gz WHKWSMDGLDLRGZ-AWEZNQCLSA-N 1 2 342.443 2.245 20 30 EEEDLO CCc1noc([C@H](C)[N@@H+]2CC=C(CCNC(=O)C#CC3CC3)CC2)n1 ZINC001160084823 1320067606 /nfs/dbraw/zinc/06/76/06/1320067606.db2.gz WHKWSMDGLDLRGZ-AWEZNQCLSA-N 1 2 342.443 2.245 20 30 EEEDLO C=CCCCC(=O)NCCC1=CC[N@H+]([C@H](C)c2nncn2C)CC1 ZINC001161056968 1320370784 /nfs/dbraw/zinc/37/07/84/1320370784.db2.gz VGMWITYZEKXXTA-OAHLLOKOSA-N 1 2 331.464 2.371 20 30 EEEDLO C=CCCCC(=O)NCCC1=CC[N@@H+]([C@H](C)c2nncn2C)CC1 ZINC001161056968 1320370787 /nfs/dbraw/zinc/37/07/87/1320370787.db2.gz VGMWITYZEKXXTA-OAHLLOKOSA-N 1 2 331.464 2.371 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2nccc(C)n2)CC1 ZINC001161972467 1320701352 /nfs/dbraw/zinc/70/13/52/1320701352.db2.gz CNCZZLJYKLOZQU-MRXNPFEDSA-N 1 2 344.459 2.015 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nccc(C)n2)CC1 ZINC001161972467 1320701357 /nfs/dbraw/zinc/70/13/57/1320701357.db2.gz CNCZZLJYKLOZQU-MRXNPFEDSA-N 1 2 344.459 2.015 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2coc(C)n2)CC1 ZINC001161977979 1320704498 /nfs/dbraw/zinc/70/44/98/1320704498.db2.gz JARIOQWPCRRDKC-AWEZNQCLSA-N 1 2 333.432 2.213 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2coc(C)n2)CC1 ZINC001161977979 1320704500 /nfs/dbraw/zinc/70/45/00/1320704500.db2.gz JARIOQWPCRRDKC-AWEZNQCLSA-N 1 2 333.432 2.213 20 30 EEEDLO C#C[C@H](C)Nc1nc2c(ccn2S(=O)(=O)c2ccccc2)c[nH+]1 ZINC001163161003 1321054770 /nfs/dbraw/zinc/05/47/70/1321054770.db2.gz NRAGECFPLHSEMH-LBPRGKRZSA-N 1 2 326.381 2.102 20 30 EEEDLO C=CCOCc1nn(C)c2c1CN(c1ccc(Cl)c(N)[nH+]1)CC2 ZINC001165787777 1321584742 /nfs/dbraw/zinc/58/47/42/1321584742.db2.gz IPRARRNSBNVHDB-UHFFFAOYSA-N 1 2 333.823 2.316 20 30 EEEDLO N#Cc1c[nH]c2cc[nH+]c(N3CC4(C3)CN(c3ccccc3)C4=O)c12 ZINC001166785256 1321787617 /nfs/dbraw/zinc/78/76/17/1321787617.db2.gz AIRTZBURWHZWRZ-UHFFFAOYSA-N 1 2 329.363 2.288 20 30 EEEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC001204125456 1322050779 /nfs/dbraw/zinc/05/07/79/1322050779.db2.gz NBOIWOFMQYTYPF-UHFFFAOYSA-N 1 2 348.399 2.078 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)Cc1cnn(CC)c1 ZINC001263301787 1322455166 /nfs/dbraw/zinc/45/51/66/1322455166.db2.gz YFADFKUCPYLAFC-MRXNPFEDSA-N 1 2 343.479 2.474 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)Cc1cnn(CC)c1 ZINC001263301787 1322455168 /nfs/dbraw/zinc/45/51/68/1322455168.db2.gz YFADFKUCPYLAFC-MRXNPFEDSA-N 1 2 343.479 2.474 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1nc(C)no1 ZINC001263341204 1322465995 /nfs/dbraw/zinc/46/59/95/1322465995.db2.gz GHGYEGMICNTGST-CQSZACIVSA-N 1 2 345.451 2.339 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)Cc1nc(C)no1 ZINC001263341204 1322465998 /nfs/dbraw/zinc/46/59/98/1322465998.db2.gz GHGYEGMICNTGST-CQSZACIVSA-N 1 2 345.451 2.339 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCOCC2CC2)C1 ZINC001206961345 1323749043 /nfs/dbraw/zinc/74/90/43/1323749043.db2.gz VJVOHVPNGZMKIS-BXUZGUMPSA-N 1 2 345.281 2.148 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCOCC2CC2)C1 ZINC001206961345 1323749049 /nfs/dbraw/zinc/74/90/49/1323749049.db2.gz VJVOHVPNGZMKIS-BXUZGUMPSA-N 1 2 345.281 2.148 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(O)cc2)C[C@H]1C ZINC001207190175 1323900186 /nfs/dbraw/zinc/90/01/86/1323900186.db2.gz IZACSPOMOYTPSU-RHSMWYFYSA-N 1 2 345.443 2.124 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(O)cc2)C[C@H]1C ZINC001207190175 1323900191 /nfs/dbraw/zinc/90/01/91/1323900191.db2.gz IZACSPOMOYTPSU-RHSMWYFYSA-N 1 2 345.443 2.124 20 30 EEEDLO C=CCN(CC[N@@H+]1[C@@H](C(=O)OC)[C@@H]2CC[C@H]1C2)C(=O)OC(C)(C)C ZINC001207204797 1323904016 /nfs/dbraw/zinc/90/40/16/1323904016.db2.gz YJQSWKSATFPCPG-QLFBSQMISA-N 1 2 338.448 2.435 20 30 EEEDLO C=CCN(CC[N@H+]1[C@@H](C(=O)OC)[C@@H]2CC[C@H]1C2)C(=O)OC(C)(C)C ZINC001207204797 1323904017 /nfs/dbraw/zinc/90/40/17/1323904017.db2.gz YJQSWKSATFPCPG-QLFBSQMISA-N 1 2 338.448 2.435 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1 ZINC001207389731 1323955282 /nfs/dbraw/zinc/95/52/82/1323955282.db2.gz KFHNTCKDYCOKDQ-KGLIPLIRSA-N 1 2 326.437 2.474 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1 ZINC001207389731 1323955286 /nfs/dbraw/zinc/95/52/86/1323955286.db2.gz KFHNTCKDYCOKDQ-KGLIPLIRSA-N 1 2 326.437 2.474 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnc(OC)nc1C ZINC001316602564 1324143930 /nfs/dbraw/zinc/14/39/30/1324143930.db2.gz BEXXRNZFBLTPNH-WBVHZDCISA-N 1 2 346.475 2.429 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnc(OC)nc1C ZINC001316602564 1324143937 /nfs/dbraw/zinc/14/39/37/1324143937.db2.gz BEXXRNZFBLTPNH-WBVHZDCISA-N 1 2 346.475 2.429 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)c(OC)co2)C[C@H]1C ZINC001208498409 1324527633 /nfs/dbraw/zinc/52/76/33/1324527633.db2.gz UKJUIZBKTWNXCI-ZXYWRSMDSA-N 1 2 348.443 2.187 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)c(OC)co2)C[C@H]1C ZINC001208498409 1324527638 /nfs/dbraw/zinc/52/76/38/1324527638.db2.gz UKJUIZBKTWNXCI-ZXYWRSMDSA-N 1 2 348.443 2.187 20 30 EEEDLO CCn1nnc2c1CC[N@H+](CCCc1ccc(C#N)cc1)[C@@H]2COC ZINC001208856400 1324693672 /nfs/dbraw/zinc/69/36/72/1324693672.db2.gz MFCBHTMRZYLCKT-GOSISDBHSA-N 1 2 339.443 2.348 20 30 EEEDLO CCn1nnc2c1CC[N@@H+](CCCc1ccc(C#N)cc1)[C@@H]2COC ZINC001208856400 1324693677 /nfs/dbraw/zinc/69/36/77/1324693677.db2.gz MFCBHTMRZYLCKT-GOSISDBHSA-N 1 2 339.443 2.348 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+](Cc2nccs2)C3)cc1 ZINC001313441584 1331804060 /nfs/dbraw/zinc/80/40/60/1331804060.db2.gz QGYSWEWSRORNJI-UHFFFAOYSA-N 1 2 337.448 2.473 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@@H+](Cc2nccs2)C3)cc1 ZINC001313441584 1331804066 /nfs/dbraw/zinc/80/40/66/1331804066.db2.gz QGYSWEWSRORNJI-UHFFFAOYSA-N 1 2 337.448 2.473 20 30 EEEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@](C)(c2ccccc2C)C1=O ZINC001319457781 1332705306 /nfs/dbraw/zinc/70/53/06/1332705306.db2.gz QQFVWMVMYYXRRZ-LJQANCHMSA-N 1 2 325.412 2.065 20 30 EEEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@](C)(c2ccccc2C)C1=O ZINC001319457781 1332705310 /nfs/dbraw/zinc/70/53/10/1332705310.db2.gz QQFVWMVMYYXRRZ-LJQANCHMSA-N 1 2 325.412 2.065 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[NH2+][C@H](CO)c1cc(F)ccc1F ZINC001414068129 1332915067 /nfs/dbraw/zinc/91/50/67/1332915067.db2.gz ZQUHCSHABTUBKM-CYBMUJFWSA-N 1 2 337.351 2.160 20 30 EEEDLO Cc1cc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)no1 ZINC001325094913 1333827249 /nfs/dbraw/zinc/82/72/49/1333827249.db2.gz YVYAHLOCZPOJDD-UHFFFAOYSA-N 1 2 341.371 2.475 20 30 EEEDLO Cc1cc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)no1 ZINC001325094913 1333827253 /nfs/dbraw/zinc/82/72/53/1333827253.db2.gz YVYAHLOCZPOJDD-UHFFFAOYSA-N 1 2 341.371 2.475 20 30 EEEDLO C#CCN(C)c1cnc(-c2noc(C[N@H+](C)Cc3ccccc3)n2)cn1 ZINC001325388262 1333877285 /nfs/dbraw/zinc/87/72/85/1333877285.db2.gz ZJVQHZAMDCEEHT-UHFFFAOYSA-N 1 2 348.410 2.228 20 30 EEEDLO C#CCN(C)c1cnc(-c2noc(C[N@@H+](C)Cc3ccccc3)n2)cn1 ZINC001325388262 1333877287 /nfs/dbraw/zinc/87/72/87/1333877287.db2.gz ZJVQHZAMDCEEHT-UHFFFAOYSA-N 1 2 348.410 2.228 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001339211285 1336976228 /nfs/dbraw/zinc/97/62/28/1336976228.db2.gz OEJRQNARVAKZOS-QWHCGFSZSA-N 1 2 332.477 2.119 20 30 EEEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CCOCC ZINC001339776751 1337071456 /nfs/dbraw/zinc/07/14/56/1337071456.db2.gz GTEKIPMVWDPBFZ-UHFFFAOYSA-N 1 2 346.479 2.030 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001340103704 1337122953 /nfs/dbraw/zinc/12/29/53/1337122953.db2.gz CESMKCIPEAEDHX-WBVHZDCISA-N 1 2 332.448 2.290 20 30 EEEDLO CC(C)C(C#N)=CNNc1ccc(S(=O)(=O)N2CCCC2)c[nH+]1 ZINC001340950541 1337269143 /nfs/dbraw/zinc/26/91/43/1337269143.db2.gz ICVMFDILPSAFSP-ZDUSSCGKSA-N 1 2 335.433 2.060 20 30 EEEDLO C#CCN(CC)c1nnc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC(C)C ZINC001347358034 1337505985 /nfs/dbraw/zinc/50/59/85/1337505985.db2.gz YTJBEGHIKVXVEW-IRXDYDNUSA-N 1 2 345.491 2.319 20 30 EEEDLO C#CCN(CC)c1nnc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC(C)C ZINC001347358034 1337505987 /nfs/dbraw/zinc/50/59/87/1337505987.db2.gz YTJBEGHIKVXVEW-IRXDYDNUSA-N 1 2 345.491 2.319 20 30 EEEDLO C=CCn1c(N2CC[NH+](Cc3cc(C)no3)CC2)nnc1C(C)(C)F ZINC001351732930 1337841647 /nfs/dbraw/zinc/84/16/47/1337841647.db2.gz PRLYRXZHJCTVNW-UHFFFAOYSA-N 1 2 348.426 2.287 20 30 EEEDLO CC(C)C#CC(=O)NCC1CC([NH2+]Cc2noc(C(C)(C)C)n2)C1 ZINC001100309412 1338261756 /nfs/dbraw/zinc/26/17/56/1338261756.db2.gz ULWWZWCELXSLRZ-UHFFFAOYSA-N 1 2 332.448 2.011 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001355928442 1338769489 /nfs/dbraw/zinc/76/94/89/1338769489.db2.gz CHGSZMYCNRJXHN-HZPDHXFCSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001355928442 1338769493 /nfs/dbraw/zinc/76/94/93/1338769493.db2.gz CHGSZMYCNRJXHN-HZPDHXFCSA-N 1 2 333.480 2.482 20 30 EEEDLO CC[C@H](C(=O)NCc1ccc(OCC#N)cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001433661685 1341652469 /nfs/dbraw/zinc/65/24/69/1341652469.db2.gz JBXFWACKXHJZJH-FUHWJXTLSA-N 1 2 345.443 2.095 20 30 EEEDLO CC[C@H](C(=O)NCc1ccc(OCC#N)cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC001433661685 1341652470 /nfs/dbraw/zinc/65/24/70/1341652470.db2.gz JBXFWACKXHJZJH-FUHWJXTLSA-N 1 2 345.443 2.095 20 30 EEEDLO CC[C@@H](C(=O)NCc1ccc(OCC#N)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC001433661594 1341652532 /nfs/dbraw/zinc/65/25/32/1341652532.db2.gz JBXFWACKXHJZJH-AEFFLSMTSA-N 1 2 345.443 2.095 20 30 EEEDLO CC[C@@H](C(=O)NCc1ccc(OCC#N)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC001433661594 1341652534 /nfs/dbraw/zinc/65/25/34/1341652534.db2.gz JBXFWACKXHJZJH-AEFFLSMTSA-N 1 2 345.443 2.095 20 30 EEEDLO C=CC(C)(C)CC(=O)N(Cc1cn[nH]n1)C1CC[NH+](CCF)CC1 ZINC001575066237 1343727106 /nfs/dbraw/zinc/72/71/06/1343727106.db2.gz RJGDWQKFDYEWAS-UHFFFAOYSA-N 1 2 337.443 2.170 20 30 EEEDLO C=CC(C)(C)CC(=O)N(Cc1c[nH]nn1)C1CC[NH+](CCF)CC1 ZINC001575066237 1343727118 /nfs/dbraw/zinc/72/71/18/1343727118.db2.gz RJGDWQKFDYEWAS-UHFFFAOYSA-N 1 2 337.443 2.170 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC001592692774 1349706908 /nfs/dbraw/zinc/70/69/08/1349706908.db2.gz DWAWBUWVIVOMQJ-GOSISDBHSA-N 1 2 346.394 2.312 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](c3ccc(-c4nn[nH]n4)cc3)C2)cc1 ZINC001592692774 1349706915 /nfs/dbraw/zinc/70/69/15/1349706915.db2.gz DWAWBUWVIVOMQJ-GOSISDBHSA-N 1 2 346.394 2.312 20 30 EEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H](C(N)=O)c1ccccc1 ZINC001602858431 1350597316 /nfs/dbraw/zinc/59/73/16/1350597316.db2.gz QCLSSWFQTHFRGH-KRWDZBQOSA-N 1 2 348.410 2.081 20 30 EEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H](C(N)=O)c1ccccc1 ZINC001602858431 1350597318 /nfs/dbraw/zinc/59/73/18/1350597318.db2.gz QCLSSWFQTHFRGH-KRWDZBQOSA-N 1 2 348.410 2.081 20 30 EEEDLO Cn1cc[nH+]c1Cc1nnc(N2CCC[C@H](CC#N)C2)n1CC1CC1 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C#CCNC(=O)CC[N@@H+]1CCc2ccccc2[C@@H]1C(=O)OC(C)(C)C ZINC000852781659 1369302100 /nfs/dbraw/zinc/30/21/00/1369302100.db2.gz UXJICMJDBDNNMW-GOSISDBHSA-N 1 2 342.439 2.067 20 30 EEEDLO C#CCNC(=O)CC[N@H+]1CCc2ccccc2[C@@H]1C(=O)OC(C)(C)C ZINC000852781659 1369302103 /nfs/dbraw/zinc/30/21/03/1369302103.db2.gz UXJICMJDBDNNMW-GOSISDBHSA-N 1 2 342.439 2.067 20 30 EEEDLO C=CC[N@H+](CN1C(=O)C[C@@H](Cc2ccccc2)C1=O)[C@@H](C)COC ZINC000853533732 1369347532 /nfs/dbraw/zinc/34/75/32/1369347532.db2.gz BWLCRNGMZOKKBT-DOTOQJQBSA-N 1 2 330.428 2.085 20 30 EEEDLO C=CC[N@@H+](CN1C(=O)C[C@@H](Cc2ccccc2)C1=O)[C@@H](C)COC ZINC000853533732 1369347535 /nfs/dbraw/zinc/34/75/35/1369347535.db2.gz BWLCRNGMZOKKBT-DOTOQJQBSA-N 1 2 330.428 2.085 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC1(CC)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001069566319 1370181608 /nfs/dbraw/zinc/18/16/08/1370181608.db2.gz HVYYEQUHCSOLKM-HNNXBMFYSA-N 1 2 346.475 2.442 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC3(C2)CC[N@@H+](C/C(Cl)=C/Cl)C3)[nH]1 ZINC001072634939 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ZINC001355929883 1373183453 /nfs/dbraw/zinc/18/34/53/1373183453.db2.gz OZTHOLLVLLIJIJ-ZDUSSCGKSA-N 1 2 341.406 2.091 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CCNC(=O)C(C)(C)C ZINC001366211740 1373839228 /nfs/dbraw/zinc/83/92/28/1373839228.db2.gz ONLVQDIUVCAFCK-CQSZACIVSA-N 1 2 343.899 2.262 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCNC(=O)C(C)(C)C ZINC001366211740 1373839234 /nfs/dbraw/zinc/83/92/34/1373839234.db2.gz ONLVQDIUVCAFCK-CQSZACIVSA-N 1 2 343.899 2.262 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCC(=O)N(CC)CC)C1 ZINC001369854110 1374683980 /nfs/dbraw/zinc/68/39/80/1374683980.db2.gz MYDLJRLHWOKRPO-HNNXBMFYSA-N 1 2 343.899 2.358 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCC(=O)N(CC)CC)C1 ZINC001369854110 1374683982 /nfs/dbraw/zinc/68/39/82/1374683982.db2.gz MYDLJRLHWOKRPO-HNNXBMFYSA-N 1 2 343.899 2.358 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NCC[N@H+](Cc2cc(C3CC3)no2)C2CC2)c1 ZINC001377516837 1379322842 /nfs/dbraw/zinc/32/28/42/1379322842.db2.gz AZUDELBXZLTOJO-UHFFFAOYSA-N 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336.745 2.294 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC(C)C)n3)[C@@H]2C1 ZINC001075842878 783018208 /nfs/dbraw/zinc/01/82/08/783018208.db2.gz HHQXTKAHPBOHTL-GOEBONIOSA-N 1 2 336.867 2.438 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC(C)C)n3)[C@@H]2C1 ZINC001075842878 783018213 /nfs/dbraw/zinc/01/82/13/783018213.db2.gz HHQXTKAHPBOHTL-GOEBONIOSA-N 1 2 336.867 2.438 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001027836743 773300865 /nfs/dbraw/zinc/30/08/65/773300865.db2.gz WZWVETOKJQTKDZ-OAHLLOKOSA-N 1 2 341.415 2.392 20 30 EEEDLO CC(C)c1ocnc1C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001027836743 773300873 /nfs/dbraw/zinc/30/08/73/773300873.db2.gz WZWVETOKJQTKDZ-OAHLLOKOSA-N 1 2 341.415 2.392 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)C1CC(OCC)C1 ZINC001027862472 773696886 /nfs/dbraw/zinc/69/68/86/773696886.db2.gz QFLPPKAYFVTPCB-ROKHWSDSSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC(OCC)C1 ZINC001027862472 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20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(C)n(C)n1 ZINC001027936243 774656209 /nfs/dbraw/zinc/65/62/09/774656209.db2.gz FOTQRSVKINJXRS-QGZVFWFLSA-N 1 2 341.459 2.110 20 30 EEEDLO CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001089731083 774781135 /nfs/dbraw/zinc/78/11/35/774781135.db2.gz KNLYKRIHHUIRHQ-HNNXBMFYSA-N 1 2 339.443 2.202 20 30 EEEDLO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001089731083 774781140 /nfs/dbraw/zinc/78/11/40/774781140.db2.gz KNLYKRIHHUIRHQ-HNNXBMFYSA-N 1 2 339.443 2.202 20 30 EEEDLO Cc1nc[nH]c1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000980558969 774890521 /nfs/dbraw/zinc/89/05/21/774890521.db2.gz SZFARZFIPRNOKO-MRXNPFEDSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1nc[nH]c1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000980558969 774890529 /nfs/dbraw/zinc/89/05/29/774890529.db2.gz SZFARZFIPRNOKO-MRXNPFEDSA-N 1 2 341.390 2.075 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001067513895 790328852 /nfs/dbraw/zinc/32/88/52/790328852.db2.gz AIHORKCKCNRDDR-CVEARBPZSA-N 1 2 348.491 2.498 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001067513895 790328866 /nfs/dbraw/zinc/32/88/66/790328866.db2.gz AIHORKCKCNRDDR-CVEARBPZSA-N 1 2 348.491 2.498 20 30 EEEDLO C[C@H](C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1)n1cccn1 ZINC000980747999 775421641 /nfs/dbraw/zinc/42/16/41/775421641.db2.gz CMHSISVAMHTMKZ-GOSISDBHSA-N 1 2 336.439 2.030 20 30 EEEDLO C[C@H](C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1)n1cccn1 ZINC000980747999 775421649 /nfs/dbraw/zinc/42/16/49/775421649.db2.gz CMHSISVAMHTMKZ-GOSISDBHSA-N 1 2 336.439 2.030 20 30 EEEDLO Cc1nc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3F)CC2)c[nH]1 ZINC000980842310 775787695 /nfs/dbraw/zinc/78/76/95/775787695.db2.gz CMQXMMDILKURGZ-UHFFFAOYSA-N 1 2 341.390 2.077 20 30 EEEDLO Cc1nc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3F)CC2)c[nH]1 ZINC000980842310 775787703 /nfs/dbraw/zinc/78/77/03/775787703.db2.gz CMQXMMDILKURGZ-UHFFFAOYSA-N 1 2 341.390 2.077 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1)C1CC1 ZINC000981074965 776481616 /nfs/dbraw/zinc/48/16/16/776481616.db2.gz CBLVBPNOCAYUQV-GOSISDBHSA-N 1 2 327.428 2.018 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1)C1CC1 ZINC000981074965 776481619 /nfs/dbraw/zinc/48/16/19/776481619.db2.gz CBLVBPNOCAYUQV-GOSISDBHSA-N 1 2 327.428 2.018 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC3(F)F)CC2)c(F)c1 ZINC000981115766 776526686 /nfs/dbraw/zinc/52/66/86/776526686.db2.gz CTRMFHHOZGBUJY-AWEZNQCLSA-N 1 2 337.345 2.387 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CC3(F)F)CC2)c(F)c1 ZINC000981115766 776526695 /nfs/dbraw/zinc/52/66/95/776526695.db2.gz CTRMFHHOZGBUJY-AWEZNQCLSA-N 1 2 337.345 2.387 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C[C@@H]1C ZINC000939463978 776586134 /nfs/dbraw/zinc/58/61/34/776586134.db2.gz MBKSYHMAMAXVKU-XHDPSFHLSA-N 1 2 345.834 2.274 20 30 EEEDLO C#CCOCCC(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091369358 790464881 /nfs/dbraw/zinc/46/48/81/790464881.db2.gz PZLIIARZGTYYPS-FZNQNYSPSA-N 1 2 342.443 2.009 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)cn1 ZINC001060361830 790518784 /nfs/dbraw/zinc/51/87/84/790518784.db2.gz TVCADXJMIVHYFO-RHSMWYFYSA-N 1 2 349.438 2.196 20 30 EEEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H](C)CCCC)CC2 ZINC001127990460 790564988 /nfs/dbraw/zinc/56/49/88/790564988.db2.gz FDZCZTPMINLLSV-HZPDHXFCSA-N 1 2 345.491 2.038 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@@H]2CCOC[C@H]2OCC)CC1 ZINC000981636490 777861830 /nfs/dbraw/zinc/86/18/30/777861830.db2.gz ZXJNHHNWSSBEJO-JKSUJKDBSA-N 1 2 344.883 2.105 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCOC[C@H]2OCC)CC1 ZINC000981636490 777861838 /nfs/dbraw/zinc/86/18/38/777861838.db2.gz ZXJNHHNWSSBEJO-JKSUJKDBSA-N 1 2 344.883 2.105 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NC[C@H]1C[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091392289 790585286 /nfs/dbraw/zinc/58/52/86/790585286.db2.gz XJMPZOOXCAMXTK-OSRDXIQISA-N 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ZINC000981912056 778528802 /nfs/dbraw/zinc/52/88/02/778528802.db2.gz LIJHNQPSCIAJSP-WMLDXEAASA-N 1 2 347.484 2.469 20 30 EEEDLO O=C(c1cc(C2CC2)n[nH]1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000982018788 778885981 /nfs/dbraw/zinc/88/59/81/778885981.db2.gz LPKGDRXNUUJTAE-UHFFFAOYSA-N 1 2 348.450 2.487 20 30 EEEDLO O=C(c1cc(C2CC2)n[nH]1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000982018788 778885990 /nfs/dbraw/zinc/88/59/90/778885990.db2.gz LPKGDRXNUUJTAE-UHFFFAOYSA-N 1 2 348.450 2.487 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cocn2)C(C)(C)C1 ZINC000940625676 778995938 /nfs/dbraw/zinc/99/59/38/778995938.db2.gz UPZGVEVPURGUKW-GFCCVEGCSA-N 1 2 342.237 2.414 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cocn2)C(C)(C)C1 ZINC000940625676 778995943 /nfs/dbraw/zinc/99/59/43/778995943.db2.gz UPZGVEVPURGUKW-GFCCVEGCSA-N 1 2 342.237 2.414 20 30 EEEDLO CC1(C)C[N@H+](Cc2nccs2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940656813 779070078 /nfs/dbraw/zinc/07/00/78/779070078.db2.gz HJKQVJMSYVCFGN-CQSZACIVSA-N 1 2 343.456 2.373 20 30 EEEDLO CC1(C)C[N@@H+](Cc2nccs2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940656813 779070083 /nfs/dbraw/zinc/07/00/83/779070083.db2.gz HJKQVJMSYVCFGN-CQSZACIVSA-N 1 2 343.456 2.373 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@H]3CC[C@H](F)C3)C2)c1 ZINC001031930487 779986265 /nfs/dbraw/zinc/98/62/65/779986265.db2.gz XNFKZQRHPBBIRD-HOCLYGCPSA-N 1 2 333.382 2.384 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@@H](F)C3)C2)c(F)c1 ZINC001031930083 780021303 /nfs/dbraw/zinc/02/13/03/780021303.db2.gz SFWJFMIEWLUGQV-GOEBONIOSA-N 1 2 333.382 2.384 20 30 EEEDLO CO[C@@H]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)C1 ZINC001031937551 780236028 /nfs/dbraw/zinc/23/60/28/780236028.db2.gz YLCLYGKBKIAEIM-VQIMIIECSA-N 1 2 341.455 2.311 20 30 EEEDLO C[C@H](CC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001127994152 790778096 /nfs/dbraw/zinc/77/80/96/790778096.db2.gz FYMZSUIXGXPSNB-CQSZACIVSA-N 1 2 348.410 2.423 20 30 EEEDLO CCc1nc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)c(C)o1 ZINC001032047835 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EEEDLO Cc1nccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)n1 ZINC001089046609 791980358 /nfs/dbraw/zinc/98/03/58/791980358.db2.gz QJVUJJABUABOGO-DYVFJYSZSA-N 1 2 335.411 2.050 20 30 EEEDLO Cc1nccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)n1 ZINC001089046609 791980363 /nfs/dbraw/zinc/98/03/63/791980363.db2.gz QJVUJJABUABOGO-DYVFJYSZSA-N 1 2 335.411 2.050 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4c[nH]nc43)C[C@]2(C)C1 ZINC001091674431 792169883 /nfs/dbraw/zinc/16/98/83/792169883.db2.gz QQZONKSIKAHQBU-RKVPGOIHSA-N 1 2 348.878 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4c[nH]nc43)C[C@]2(C)C1 ZINC001091674431 792169893 /nfs/dbraw/zinc/16/98/93/792169893.db2.gz QQZONKSIKAHQBU-RKVPGOIHSA-N 1 2 348.878 2.362 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCOc2cc(C)cc(C)c2)C1 ZINC001107982568 792422375 /nfs/dbraw/zinc/42/23/75/792422375.db2.gz BSECGWOHIAFIOS-FQEVSTJZSA-N 1 2 346.471 2.465 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCOc2cc(C)cc(C)c2)C1 ZINC001107982568 792422382 /nfs/dbraw/zinc/42/23/82/792422382.db2.gz BSECGWOHIAFIOS-FQEVSTJZSA-N 1 2 346.471 2.465 20 30 EEEDLO C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)[nH]n2)CC[C@@H]1C(F)(F)F ZINC000998298631 792504303 /nfs/dbraw/zinc/50/43/03/792504303.db2.gz YPVKVSYGGJMXHJ-SMDDNHRTSA-N 1 2 342.365 2.149 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cscn1)CC2 ZINC000992239892 793376537 /nfs/dbraw/zinc/37/65/37/793376537.db2.gz KPJJXKHNPHPKNJ-MUQADHOPSA-N 1 2 347.484 2.347 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1cscn1)CC2 ZINC000992239892 793376545 /nfs/dbraw/zinc/37/65/45/793376545.db2.gz KPJJXKHNPHPKNJ-MUQADHOPSA-N 1 2 347.484 2.347 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CC)C[C@@]2(C)C1 ZINC001091978089 793490581 /nfs/dbraw/zinc/49/05/81/793490581.db2.gz HSJOSMFLECVAIK-LZQZEXGQSA-N 1 2 345.491 2.181 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CC)C[C@@]2(C)C1 ZINC001091978089 793490585 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C[N@H+](CCNC(=O)[C@@H]1CC12CCOCC2)Cc1ccc(C#N)cc1F ZINC001442624105 1096992531 /nfs/dbraw/zinc/99/25/31/1096992531.db2.gz BIJKACVDJAHSBB-INIZCTEOSA-N 1 2 345.418 2.062 20 30 EEEDLO C[N@@H+](CCNC(=O)[C@@H]1CC12CCOCC2)Cc1ccc(C#N)cc1F ZINC001442624105 1096992534 /nfs/dbraw/zinc/99/25/34/1096992534.db2.gz BIJKACVDJAHSBB-INIZCTEOSA-N 1 2 345.418 2.062 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+](CCNC(=O)C2=CCOCC2)C2CC2)c1 ZINC001442995002 1097414982 /nfs/dbraw/zinc/41/49/82/1097414982.db2.gz KRDWBHPEWXJOHT-UHFFFAOYSA-N 1 2 343.402 2.125 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+](CCNC(=O)C2=CCOCC2)C2CC2)c1 ZINC001442995002 1097414985 /nfs/dbraw/zinc/41/49/85/1097414985.db2.gz KRDWBHPEWXJOHT-UHFFFAOYSA-N 1 2 343.402 2.125 20 30 EEEDLO C[C@H](C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1)C(F)(F)F ZINC001443596471 1098089085 /nfs/dbraw/zinc/08/90/85/1098089085.db2.gz DTKJTGLJBDVTFI-LLVKDONJSA-N 1 2 325.334 2.305 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@](C)(CNC(=O)c2cocn2)C1 ZINC001446655004 1101174861 /nfs/dbraw/zinc/17/48/61/1101174861.db2.gz BBSDGCMVURQMMX-CQSZACIVSA-N 1 2 342.237 2.415 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@](C)(CNC(=O)c2cocn2)C1 ZINC001446655004 1101174867 /nfs/dbraw/zinc/17/48/67/1101174867.db2.gz BBSDGCMVURQMMX-CQSZACIVSA-N 1 2 342.237 2.415 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH]c3cnccc23)C1 ZINC001448328383 1104402452 /nfs/dbraw/zinc/40/24/52/1104402452.db2.gz SPLPEPOVDJZRKG-GFCCVEGCSA-N 1 2 332.835 2.294 20 30 EEEDLO N#Cc1ccc(C[N@H+](CCNC(=O)[C@H]2CCCOC2)C2CC2)c(F)c1 ZINC001493356039 1107978088 /nfs/dbraw/zinc/97/80/88/1107978088.db2.gz CPMMDNWGQKSMEV-INIZCTEOSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@@H+](CCNC(=O)[C@H]2CCCOC2)C2CC2)c(F)c1 ZINC001493356039 1107978099 /nfs/dbraw/zinc/97/80/99/1107978099.db2.gz CPMMDNWGQKSMEV-INIZCTEOSA-N 1 2 345.418 2.205 20 30 EEEDLO C=C(Cl)C[NH2+]C[C@@H](NC(=O)c1cn[nH]c1-c1ccccn1)C1CC1 ZINC001498771034 1108068418 /nfs/dbraw/zinc/06/84/18/1108068418.db2.gz USALQOHOBRUUCM-OAHLLOKOSA-N 1 2 345.834 2.322 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@](F)(C#N)C1 ZINC001515996703 1118992757 /nfs/dbraw/zinc/99/27/57/1118992757.db2.gz IFPLPNZXKRHUHU-YOEHRIQHSA-N 1 2 332.427 2.453 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@](F)(C#N)C1 ZINC001515996703 1118992758 /nfs/dbraw/zinc/99/27/58/1118992758.db2.gz IFPLPNZXKRHUHU-YOEHRIQHSA-N 1 2 332.427 2.453 20 30 EEEDLO Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccn(-c4cc[nH+]cc4)n3)nc21 ZINC001524733993 1120225380 /nfs/dbraw/zinc/22/53/80/1120225380.db2.gz NHQCJJJARTZHRV-CYBMUJFWSA-N 1 2 343.350 2.337 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2nnc(C)o2)[C@@H]1CC ZINC001087602752 781922524 /nfs/dbraw/zinc/92/25/24/781922524.db2.gz DMONPIWMFCWLMO-LSDHHAIUSA-N 1 2 343.431 2.148 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2nnc(C)o2)[C@@H]1CC ZINC001087602752 781922533 /nfs/dbraw/zinc/92/25/33/781922533.db2.gz DMONPIWMFCWLMO-LSDHHAIUSA-N 1 2 343.431 2.148 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC(C)(O)CC1)C2 ZINC000329909844 539785435 /nfs/dbraw/zinc/78/54/35/539785435.db2.gz MUNFVLGNATXOOT-ZDUSSCGKSA-N 1 2 334.464 2.256 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000265361055 201215789 /nfs/dbraw/zinc/21/57/89/201215789.db2.gz MKCPKGIWDVBHEL-UHFFFAOYSA-N 1 2 348.878 2.053 20 30 EEEDLO C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000265322226 201215852 /nfs/dbraw/zinc/21/58/52/201215852.db2.gz NWXVRVCIZFLGPT-HUUCEWRRSA-N 1 2 345.443 2.099 20 30 EEEDLO C=C(C)CN(CC)C(=O)CN(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000264059420 201209186 /nfs/dbraw/zinc/20/91/86/201209186.db2.gz KCPPCKCTOVGILU-UHFFFAOYSA-N 1 2 332.370 2.302 20 30 EEEDLO CCC(CC)[C@@H](C(=O)NCc1ccc(C#N)c(F)c1)[NH+]1CCOCC1 ZINC000456839878 244370226 /nfs/dbraw/zinc/37/02/26/244370226.db2.gz OZBGLDBWHXDYRA-SFHVURJKSA-N 1 2 347.434 2.451 20 30 EEEDLO C=C(C)CN(CC)C(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000459820427 245257405 /nfs/dbraw/zinc/25/74/05/245257405.db2.gz HZXLJVLMDASFQJ-UHFFFAOYSA-N 1 2 346.475 2.327 20 30 EEEDLO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101728690 204020121 /nfs/dbraw/zinc/02/01/21/204020121.db2.gz XZVLIRISEJIPAD-MRXNPFEDSA-N 1 2 326.444 2.081 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000265155674 247254557 /nfs/dbraw/zinc/25/45/57/247254557.db2.gz USMQXABVHVYWCW-AWEZNQCLSA-N 1 2 333.413 2.041 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000176970346 207278645 /nfs/dbraw/zinc/27/86/45/207278645.db2.gz ZSXYWLLUCVYDQA-UHFFFAOYSA-N 1 2 342.424 2.124 20 30 EEEDLO C#C[C@H](CCC)NC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000491439249 533310590 /nfs/dbraw/zinc/31/05/90/533310590.db2.gz ISOGOPZWFWNNCL-HZPDHXFCSA-N 1 2 348.516 2.138 20 30 EEEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCN(C)CC3)sc2C1 ZINC000126530005 292312636 /nfs/dbraw/zinc/31/26/36/292312636.db2.gz REVPDSJTJNMFCO-ZDUSSCGKSA-N 1 2 346.500 2.321 20 30 EEEDLO Cn1cc([C@@H]2CCC[N@@H+]2[C@H]2CCN(c3sccc3C#N)C2=O)cn1 ZINC000246303896 160273257 /nfs/dbraw/zinc/27/32/57/160273257.db2.gz BZFPXFFECIKZCQ-GJZGRUSLSA-N 1 2 341.440 2.296 20 30 EEEDLO Cn1cc([C@@H]2CCC[N@H+]2[C@H]2CCN(c3sccc3C#N)C2=O)cn1 ZINC000246303896 160273258 /nfs/dbraw/zinc/27/32/58/160273258.db2.gz BZFPXFFECIKZCQ-GJZGRUSLSA-N 1 2 341.440 2.296 20 30 EEEDLO Cc1ccc([C@@H]2COCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)o1 ZINC000247186308 160313637 /nfs/dbraw/zinc/31/36/37/160313637.db2.gz SBXUTGUHIWYSKR-AEFFLSMTSA-N 1 2 342.395 2.273 20 30 EEEDLO Cc1ccc([C@@H]2COCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)o1 ZINC000247186308 160313639 /nfs/dbraw/zinc/31/36/39/160313639.db2.gz SBXUTGUHIWYSKR-AEFFLSMTSA-N 1 2 342.395 2.273 20 30 EEEDLO CC[NH+]1CCN(C(=O)[C@H](C)SCc2ccc(F)cc2C#N)CC1 ZINC000341927806 161024628 /nfs/dbraw/zinc/02/46/28/161024628.db2.gz OFHSSDYHNKJSDF-ZDUSSCGKSA-N 1 2 335.448 2.483 20 30 EEEDLO N#Cc1cccc(-c2cc(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)on2)c1 ZINC000345265694 161286653 /nfs/dbraw/zinc/28/66/53/161286653.db2.gz UYHQENDMUOTJGH-CQSZACIVSA-N 1 2 333.351 2.155 20 30 EEEDLO Cc1cccc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c1C#N ZINC000352615008 162211885 /nfs/dbraw/zinc/21/18/85/162211885.db2.gz FZGVYQLVZCVYBT-HNNXBMFYSA-N 1 2 330.413 2.030 20 30 EEEDLO Cc1nc2ccccn2c1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000354992170 163042861 /nfs/dbraw/zinc/04/28/61/163042861.db2.gz JUAVCBPHTRKOLA-CQSZACIVSA-N 1 2 347.426 2.015 20 30 EEEDLO Cc1nc2ccccn2c1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000354992170 163042866 /nfs/dbraw/zinc/04/28/66/163042866.db2.gz JUAVCBPHTRKOLA-CQSZACIVSA-N 1 2 347.426 2.015 20 30 EEEDLO CCc1cccc(NC(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000355104193 163081645 /nfs/dbraw/zinc/08/16/45/163081645.db2.gz UXLFGYOXYUHCSV-UHFFFAOYSA-N 1 2 349.438 2.276 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1Cl ZINC000374749029 167046489 /nfs/dbraw/zinc/04/64/89/167046489.db2.gz BUYPZNGGUGLSPT-ZDUSSCGKSA-N 1 2 336.804 2.461 20 30 EEEDLO CCc1nc(CN2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)no1 ZINC000439438137 270020282 /nfs/dbraw/zinc/02/02/82/270020282.db2.gz JNXMSLWFJOSLTH-UHFFFAOYSA-N 1 2 345.834 2.475 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2CCc3ccccc3[C@H]2CO)c1C#N ZINC000534471769 270022920 /nfs/dbraw/zinc/02/29/20/270022920.db2.gz BBCFURYCXZCNHW-LJQANCHMSA-N 1 2 336.391 2.437 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2CCc3ccccc3[C@H]2CO)c1C#N ZINC000534471769 270022921 /nfs/dbraw/zinc/02/29/21/270022921.db2.gz BBCFURYCXZCNHW-LJQANCHMSA-N 1 2 336.391 2.437 20 30 EEEDLO CCOCC[NH+]1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000286191853 266277936 /nfs/dbraw/zinc/27/79/36/266277936.db2.gz XNKSDWMKULTBEM-UHFFFAOYSA-N 1 2 347.434 2.156 20 30 EEEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000297452406 267125965 /nfs/dbraw/zinc/12/59/65/267125965.db2.gz JKUWRJDEDZHBQP-CQSZACIVSA-N 1 2 346.862 2.345 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nc(C(F)(F)F)ccc1C#N ZINC000414128474 267303647 /nfs/dbraw/zinc/30/36/47/267303647.db2.gz SEIJOXPMOFIJSU-LLVKDONJSA-N 1 2 344.362 2.271 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nc(C(F)(F)F)ccc1C#N ZINC000414128474 267303651 /nfs/dbraw/zinc/30/36/51/267303651.db2.gz SEIJOXPMOFIJSU-LLVKDONJSA-N 1 2 344.362 2.271 20 30 EEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1ccc(C#N)c(O)c1 ZINC000442633634 267325037 /nfs/dbraw/zinc/32/50/37/267325037.db2.gz DMBNZCKCHAKABO-UHFFFAOYSA-N 1 2 338.289 2.295 20 30 EEEDLO Cc1cc(N2CCN(c3nccnc3C#N)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000301668776 267339628 /nfs/dbraw/zinc/33/96/28/267339628.db2.gz PKZYJBFFHXNKAH-AWEZNQCLSA-N 1 2 337.431 2.285 20 30 EEEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000279447435 268083599 /nfs/dbraw/zinc/08/35/99/268083599.db2.gz FSLGUNSTEXHDBD-KRWDZBQOSA-N 1 2 333.395 2.301 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000338185181 268248520 /nfs/dbraw/zinc/24/85/20/268248520.db2.gz LCWSUVNWCMIACM-OXJNMPFZSA-N 1 2 328.375 2.404 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000338185181 268248522 /nfs/dbraw/zinc/24/85/22/268248522.db2.gz LCWSUVNWCMIACM-OXJNMPFZSA-N 1 2 328.375 2.404 20 30 EEEDLO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccc(S(N)(=O)=O)c1 ZINC000342475505 279491098 /nfs/dbraw/zinc/49/10/98/279491098.db2.gz BJTWTLJGPRMTLV-NSHDSACASA-N 1 2 333.388 2.196 20 30 EEEDLO COc1ccc(C#N)cc1C[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000178912728 311442268 /nfs/dbraw/zinc/44/22/68/311442268.db2.gz NWYDROGZBMRCEU-UHFFFAOYSA-N 1 2 349.434 2.454 20 30 EEEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1F ZINC000538097501 318032095 /nfs/dbraw/zinc/03/20/95/318032095.db2.gz HXXFBVHZNCIRLJ-UHFFFAOYSA-N 1 2 341.346 2.323 20 30 EEEDLO CCc1cnc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 ZINC000569060187 319541304 /nfs/dbraw/zinc/54/13/04/319541304.db2.gz AELYABXZHQUHTM-INIZCTEOSA-N 1 2 340.452 2.468 20 30 EEEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCNC(=O)[C@H]2c2ccccc2)c1 ZINC000575863002 320120540 /nfs/dbraw/zinc/12/05/40/320120540.db2.gz PZRVXLDHQLSZNO-LJQANCHMSA-N 1 2 348.406 2.060 20 30 EEEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCNC(=O)[C@H]2c2ccccc2)c1 ZINC000575863002 320120542 /nfs/dbraw/zinc/12/05/42/320120542.db2.gz PZRVXLDHQLSZNO-LJQANCHMSA-N 1 2 348.406 2.060 20 30 EEEDLO Cc1noc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000577479524 320257441 /nfs/dbraw/zinc/25/74/41/320257441.db2.gz LYMXCQPAAUESGJ-VIFPVBQESA-N 1 2 345.428 2.479 20 30 EEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000578111728 320294614 /nfs/dbraw/zinc/29/46/14/320294614.db2.gz FFTNWLJVMCODGK-GFCCVEGCSA-N 1 2 332.835 2.001 20 30 EEEDLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(=O)CC1)C1CCCCC1 ZINC000328749944 465119034 /nfs/dbraw/zinc/11/90/34/465119034.db2.gz BSJMSKZGLXGUNE-INIZCTEOSA-N 1 2 346.431 2.049 20 30 EEEDLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(=O)CC1)C1CCCCC1 ZINC000328749944 465119039 /nfs/dbraw/zinc/11/90/39/465119039.db2.gz BSJMSKZGLXGUNE-INIZCTEOSA-N 1 2 346.431 2.049 20 30 EEEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)N[C@]1(C#N)CCOC1 ZINC000358450445 465130440 /nfs/dbraw/zinc/13/04/40/465130440.db2.gz QHTRTCGPTZLHEW-SFHVURJKSA-N 1 2 326.400 2.178 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000339229581 465152436 /nfs/dbraw/zinc/15/24/36/465152436.db2.gz OWMIQCAULFDBKU-QGZVFWFLSA-N 1 2 344.459 2.218 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000339229581 465152441 /nfs/dbraw/zinc/15/24/41/465152441.db2.gz OWMIQCAULFDBKU-QGZVFWFLSA-N 1 2 344.459 2.218 20 30 EEEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CC[C@@H](C2CCOCC2)C1 ZINC000328872100 465154073 /nfs/dbraw/zinc/15/40/73/465154073.db2.gz YOBLBJIXLSRULX-RHSMWYFYSA-N 1 2 334.464 2.490 20 30 EEEDLO C=CCC[C@@H](NC(=O)C[N@@H+](C)CC(=O)NC(C)C)c1ccccc1 ZINC000355041237 465221037 /nfs/dbraw/zinc/22/10/37/465221037.db2.gz IVGZVZKSHYSITB-QGZVFWFLSA-N 1 2 331.460 2.267 20 30 EEEDLO C=CCC[C@@H](NC(=O)C[N@H+](C)CC(=O)NC(C)C)c1ccccc1 ZINC000355041237 465221040 /nfs/dbraw/zinc/22/10/40/465221040.db2.gz IVGZVZKSHYSITB-QGZVFWFLSA-N 1 2 331.460 2.267 20 30 EEEDLO CCOc1ccc(C[NH+]2CCN(C(=O)NCC(C)(C)C#N)CC2)cc1 ZINC000358620157 465225520 /nfs/dbraw/zinc/22/55/20/465225520.db2.gz XAVCBSVEUFDXRR-UHFFFAOYSA-N 1 2 344.459 2.462 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](c2cnn(C)c2)c2cccc(F)c2)C1=O ZINC000337175977 465228850 /nfs/dbraw/zinc/22/88/50/465228850.db2.gz IZMLJBYNMHBASN-ROUUACIJSA-N 1 2 342.418 2.367 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](c2cnn(C)c2)c2cccc(F)c2)C1=O ZINC000337175977 465228853 /nfs/dbraw/zinc/22/88/53/465228853.db2.gz IZMLJBYNMHBASN-ROUUACIJSA-N 1 2 342.418 2.367 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](CCC)c2ccccc2)C1=O ZINC000337227597 465255289 /nfs/dbraw/zinc/25/52/89/465255289.db2.gz QGNVGJIYFVPNSP-MSOLQXFVSA-N 1 2 343.471 2.363 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](CCC)c2ccccc2)C1=O ZINC000337227597 465255295 /nfs/dbraw/zinc/25/52/95/465255295.db2.gz QGNVGJIYFVPNSP-MSOLQXFVSA-N 1 2 343.471 2.363 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2cc(C)ccc2OC)C1=O ZINC000337230838 465256421 /nfs/dbraw/zinc/25/64/21/465256421.db2.gz TWXKFYHGCUEJQB-GDBMZVCRSA-N 1 2 345.443 2.049 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2cc(C)ccc2OC)C1=O ZINC000337230838 465256426 /nfs/dbraw/zinc/25/64/26/465256426.db2.gz TWXKFYHGCUEJQB-GDBMZVCRSA-N 1 2 345.443 2.049 20 30 EEEDLO Cc1noc([C@@H]2CCCN2C(=O)NC[C@H]2CCCn3cc[nH+]c32)n1 ZINC000329190505 465262213 /nfs/dbraw/zinc/26/22/13/465262213.db2.gz CMZUITMNPFDSFB-OLZOCXBDSA-N 1 2 330.392 2.203 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)nc2)C1=O ZINC000337233082 465258116 /nfs/dbraw/zinc/25/81/16/465258116.db2.gz WCDPASQKDKMLQO-ZDUSSCGKSA-N 1 2 343.349 2.241 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)nc2)C1=O ZINC000337233082 465258120 /nfs/dbraw/zinc/25/81/20/465258120.db2.gz WCDPASQKDKMLQO-ZDUSSCGKSA-N 1 2 343.349 2.241 20 30 EEEDLO N#Cc1csc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)n1 ZINC000356357621 465336494 /nfs/dbraw/zinc/33/64/94/465336494.db2.gz YJBSCBOHVKJNJL-SJORKVTESA-N 1 2 340.452 2.100 20 30 EEEDLO N#Cc1csc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)n1 ZINC000356357621 465336497 /nfs/dbraw/zinc/33/64/97/465336497.db2.gz YJBSCBOHVKJNJL-SJORKVTESA-N 1 2 340.452 2.100 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC)CC1 ZINC000491099334 468301082 /nfs/dbraw/zinc/30/10/82/468301082.db2.gz APRGDUZREFGIJJ-UHFFFAOYSA-N 1 2 348.454 2.125 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[NH+](CCOC)CCOC ZINC000060992701 462572319 /nfs/dbraw/zinc/57/23/19/462572319.db2.gz FOONSKKXDMXHDQ-UHFFFAOYSA-N 1 2 338.473 2.498 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000064442296 462703312 /nfs/dbraw/zinc/70/33/12/462703312.db2.gz ABUDUOXXCRMCQQ-UHFFFAOYSA-N 1 2 333.413 2.098 20 30 EEEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2cccnc2N)CC1 ZINC000590714535 468315676 /nfs/dbraw/zinc/31/56/76/468315676.db2.gz AHEFMFZSESVZPB-QGZVFWFLSA-N 1 2 325.391 2.185 20 30 EEEDLO Cc1cccn2cc(CC(=O)NCC(=O)c3ccc(C#N)cc3)[nH+]c12 ZINC000579142985 468317166 /nfs/dbraw/zinc/31/71/66/468317166.db2.gz DYSXSTWBISMBTI-UHFFFAOYSA-N 1 2 332.363 2.056 20 30 EEEDLO C#CC[N@@H+](CCCSCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000090554107 462797770 /nfs/dbraw/zinc/79/77/70/462797770.db2.gz RTZHFMXMNZCJEN-QGZVFWFLSA-N 1 2 337.510 2.432 20 30 EEEDLO C#CC[N@H+](CCCSCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000090554107 462797772 /nfs/dbraw/zinc/79/77/72/462797772.db2.gz RTZHFMXMNZCJEN-QGZVFWFLSA-N 1 2 337.510 2.432 20 30 EEEDLO C[C@@H](Sc1[nH+]cnc2c1cnn2C)C(=O)Nc1ccccc1C#N ZINC000011680787 462836998 /nfs/dbraw/zinc/83/69/98/462836998.db2.gz CYIUNSQWLHKBDV-SNVBAGLBSA-N 1 2 338.396 2.354 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000076606124 462884585 /nfs/dbraw/zinc/88/45/85/462884585.db2.gz KLAASGPSJPEYAI-UHFFFAOYSA-N 1 2 348.878 2.220 20 30 EEEDLO CCN(CCC#N)C(=O)CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000076606124 462884592 /nfs/dbraw/zinc/88/45/92/462884592.db2.gz KLAASGPSJPEYAI-UHFFFAOYSA-N 1 2 348.878 2.220 20 30 EEEDLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+](CC)C[C@@H](C)C#N ZINC000066424329 462888528 /nfs/dbraw/zinc/88/85/28/462888528.db2.gz TTZNJQDGGZCGIG-JKSUJKDBSA-N 1 2 345.443 2.156 20 30 EEEDLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+](CC)C[C@@H](C)C#N ZINC000066424329 462888532 /nfs/dbraw/zinc/88/85/32/462888532.db2.gz TTZNJQDGGZCGIG-JKSUJKDBSA-N 1 2 345.443 2.156 20 30 EEEDLO C[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000133003188 462893001 /nfs/dbraw/zinc/89/30/01/462893001.db2.gz MEGRPNBTBFPVLF-RYRKJORJSA-N 1 2 344.459 2.440 20 30 EEEDLO COc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc(OC)c1 ZINC000091731813 462900655 /nfs/dbraw/zinc/90/06/55/462900655.db2.gz HBDCMFSXMJETHV-UHFFFAOYSA-N 1 2 338.411 2.293 20 30 EEEDLO C#CC[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)[C@H]1CCS(=O)(=O)C1 ZINC000092193624 462933444 /nfs/dbraw/zinc/93/34/44/462933444.db2.gz JMMRTFNTPCBJSX-INIZCTEOSA-N 1 2 333.453 2.022 20 30 EEEDLO C#CC[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)[C@H]1CCS(=O)(=O)C1 ZINC000092193624 462933449 /nfs/dbraw/zinc/93/34/49/462933449.db2.gz JMMRTFNTPCBJSX-INIZCTEOSA-N 1 2 333.453 2.022 20 30 EEEDLO Cc1cccc(F)c1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000133597677 462949658 /nfs/dbraw/zinc/94/96/58/462949658.db2.gz TZNFLNFKAYVGER-UHFFFAOYSA-N 1 2 334.395 2.214 20 30 EEEDLO COc1cc(C#N)ccc1OCCO[NH+]=C(N)Cc1csc(C)n1 ZINC000077239049 462959084 /nfs/dbraw/zinc/95/90/84/462959084.db2.gz ATMKTPZMYGKZRR-UHFFFAOYSA-N 1 2 346.412 2.242 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@H](O)[C@H]2C)c1C#N ZINC000590762140 468331850 /nfs/dbraw/zinc/33/18/50/468331850.db2.gz GGPVIBMSMGYTES-RHSMWYFYSA-N 1 2 344.459 2.485 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](O)[C@H]2C)c1C#N ZINC000590762140 468331856 /nfs/dbraw/zinc/33/18/56/468331856.db2.gz GGPVIBMSMGYTES-RHSMWYFYSA-N 1 2 344.459 2.485 20 30 EEEDLO N#CC1(NC(=O)C[NH+]2CCN(c3cccs3)CC2)CCCCC1 ZINC000121372984 463124497 /nfs/dbraw/zinc/12/44/97/463124497.db2.gz BLWARRRHWFOCNV-UHFFFAOYSA-N 1 2 332.473 2.213 20 30 EEEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000053248787 463143230 /nfs/dbraw/zinc/14/32/30/463143230.db2.gz FYMXQZYKHQULQU-UHFFFAOYSA-N 1 2 325.372 2.204 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(C)Cc2cccs2)cc1 ZINC000054230816 463220424 /nfs/dbraw/zinc/22/04/24/463220424.db2.gz KAIOKLDLMBIGPV-UHFFFAOYSA-N 1 2 333.413 2.052 20 30 EEEDLO NC(=[NH+]OCC(=O)NCC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000054516464 463241455 /nfs/dbraw/zinc/24/14/55/463241455.db2.gz ZHFIJIHJVIKWEI-UHFFFAOYSA-N 1 2 343.227 2.021 20 30 EEEDLO Cc1ccn2cc(CNS(=O)(=O)Cc3cccc(C#N)c3)[nH+]c2c1 ZINC000079911626 463261128 /nfs/dbraw/zinc/26/11/28/463261128.db2.gz RMLBSKPHLGZOMM-UHFFFAOYSA-N 1 2 340.408 2.134 20 30 EEEDLO Cc1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1C ZINC000080160585 463288665 /nfs/dbraw/zinc/28/86/65/463288665.db2.gz KGGIWLRMYGQOJW-UHFFFAOYSA-N 1 2 330.432 2.383 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159524579 463290959 /nfs/dbraw/zinc/29/09/59/463290959.db2.gz VONIXYCHOKKVIB-OXQOHEQNSA-N 1 2 341.455 2.168 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159524579 463290961 /nfs/dbraw/zinc/29/09/61/463290961.db2.gz VONIXYCHOKKVIB-OXQOHEQNSA-N 1 2 341.455 2.168 20 30 EEEDLO Cc1nc(C2([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)CCCCC2)no1 ZINC000138830568 463315018 /nfs/dbraw/zinc/31/50/18/463315018.db2.gz FEMZMSAMRQHPPR-MRXNPFEDSA-N 1 2 333.436 2.182 20 30 EEEDLO COC(=O)c1ccc2[nH]cc(C(=O)C[NH+]3CCC(C#N)CC3)c2c1 ZINC000160736220 463366035 /nfs/dbraw/zinc/36/60/35/463366035.db2.gz MGFXDFKMRAAKDI-UHFFFAOYSA-N 1 2 325.368 2.373 20 30 EEEDLO N#CCOc1ccc(/C=C/C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161382520 463426379 /nfs/dbraw/zinc/42/63/79/463426379.db2.gz QJGOHHHLYWARSX-NADMHLTPSA-N 1 2 348.406 2.392 20 30 EEEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)C3CC3)CC2)c1 ZINC000536636419 468358490 /nfs/dbraw/zinc/35/84/90/468358490.db2.gz NYXSJCFGLYLPHQ-UHFFFAOYSA-N 1 2 327.428 2.423 20 30 EEEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000161907724 463467537 /nfs/dbraw/zinc/46/75/37/463467537.db2.gz RPKWUNOGVIFPEO-AAEUAGOBSA-N 1 2 327.222 2.423 20 30 EEEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000161907724 463467542 /nfs/dbraw/zinc/46/75/42/463467542.db2.gz RPKWUNOGVIFPEO-AAEUAGOBSA-N 1 2 327.222 2.423 20 30 EEEDLO COc1ccc(OC)c([C@H](C)NC(=O)C[NH+]2CCC(C#N)CC2)c1 ZINC000057906395 463527983 /nfs/dbraw/zinc/52/79/83/463527983.db2.gz XHGAZGBQDQYPRJ-ZDUSSCGKSA-N 1 2 331.416 2.117 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000084475260 463606007 /nfs/dbraw/zinc/60/60/07/463606007.db2.gz DPFWMRCVNMZJNM-HNAYVOBHSA-N 1 2 346.450 2.391 20 30 EEEDLO N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000043727619 463654998 /nfs/dbraw/zinc/65/49/98/463654998.db2.gz XIHXGEZGJQCXBB-UHFFFAOYSA-N 1 2 339.355 2.310 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184886674 463712190 /nfs/dbraw/zinc/71/21/90/463712190.db2.gz CNHHLUDRMIHGOE-CHWSQXEVSA-N 1 2 342.399 2.393 20 30 EEEDLO C[N@@H+]1CCc2nc(NC(=O)c3ccccc3OCC#N)sc2C1 ZINC000194064749 463784059 /nfs/dbraw/zinc/78/40/59/463784059.db2.gz ITBLVEUFPGIMEN-UHFFFAOYSA-N 1 2 328.397 2.286 20 30 EEEDLO C[N@H+]1CCc2nc(NC(=O)c3ccccc3OCC#N)sc2C1 ZINC000194064749 463784062 /nfs/dbraw/zinc/78/40/62/463784062.db2.gz ITBLVEUFPGIMEN-UHFFFAOYSA-N 1 2 328.397 2.286 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000185257374 463788637 /nfs/dbraw/zinc/78/86/37/463788637.db2.gz FZSCVSIHGODVNV-VXGBXAGGSA-N 1 2 349.435 2.168 20 30 EEEDLO CC#CCCCC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000185304834 463798309 /nfs/dbraw/zinc/79/83/09/463798309.db2.gz MPQIIUQZXQCPDU-UHFFFAOYSA-N 1 2 344.455 2.207 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000171533542 463877663 /nfs/dbraw/zinc/87/76/63/463877663.db2.gz MLFSMMSRNACJER-KBPBESRZSA-N 1 2 346.431 2.188 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@@]1=O ZINC000277126670 463882608 /nfs/dbraw/zinc/88/26/08/463882608.db2.gz IDSRHLDCRKTVSS-SHACYNPGSA-N 1 2 342.468 2.302 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@@]1=O ZINC000277126670 463882612 /nfs/dbraw/zinc/88/26/12/463882612.db2.gz IDSRHLDCRKTVSS-SHACYNPGSA-N 1 2 342.468 2.302 20 30 EEEDLO Oc1ccc(Br)cc1/C=N/CC1([NH+]2CCOCC2)CC1 ZINC000277508692 463918393 /nfs/dbraw/zinc/91/83/93/463918393.db2.gz NDTVTIAWSKWAPG-LICLKQGHSA-N 1 2 339.233 2.438 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000178590585 463925938 /nfs/dbraw/zinc/92/59/38/463925938.db2.gz UZTKGBDEXVVDQQ-UHFFFAOYSA-N 1 2 328.803 2.498 20 30 EEEDLO CCOC1CC(CNc2cccc(F)c2C#N)([NH+]2CCOCC2)C1 ZINC000277825717 463934097 /nfs/dbraw/zinc/93/40/97/463934097.db2.gz JKBQMHKBYSHNSO-UHFFFAOYSA-N 1 2 333.407 2.379 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC)CC1 ZINC000284056918 464078598 /nfs/dbraw/zinc/07/85/98/464078598.db2.gz QWFIJCYDSLUMBV-UHFFFAOYSA-N 1 2 334.427 2.202 20 30 EEEDLO COc1cccc(OC)c1OCCCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000289469793 464080154 /nfs/dbraw/zinc/08/01/54/464080154.db2.gz WWZMIOVKOJRLFY-HNNXBMFYSA-N 1 2 338.404 2.331 20 30 EEEDLO C#Cc1ccccc1CC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000289595751 464087193 /nfs/dbraw/zinc/08/71/93/464087193.db2.gz UPADLUODJZSDGA-INIZCTEOSA-N 1 2 349.434 2.147 20 30 EEEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](n3cccn3)C2)c(C#N)c1C ZINC000291908916 464161954 /nfs/dbraw/zinc/16/19/54/464161954.db2.gz RRDSLLSNZMWRNV-TZMCWYRMSA-N 1 2 327.388 2.239 20 30 EEEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](n3cccn3)C2)c(C#N)c1C ZINC000291908916 464161958 /nfs/dbraw/zinc/16/19/58/464161958.db2.gz RRDSLLSNZMWRNV-TZMCWYRMSA-N 1 2 327.388 2.239 20 30 EEEDLO Cn1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)c(C(C)(C)C)n1 ZINC000179641021 464167642 /nfs/dbraw/zinc/16/76/42/464167642.db2.gz UGTXTYYDBVCZGM-UHFFFAOYSA-N 1 2 338.459 2.306 20 30 EEEDLO CC(C)(C#N)CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280677999 464229879 /nfs/dbraw/zinc/22/98/79/464229879.db2.gz CHFMMDKBXVCPQQ-SJORKVTESA-N 1 2 327.428 2.038 20 30 EEEDLO CC(C)(C#N)CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280677999 464229885 /nfs/dbraw/zinc/22/98/85/464229885.db2.gz CHFMMDKBXVCPQQ-SJORKVTESA-N 1 2 327.428 2.038 20 30 EEEDLO CO[C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000292730918 464323023 /nfs/dbraw/zinc/32/30/23/464323023.db2.gz TWOGRVNFPGXXDH-OALUTQOASA-N 1 2 341.455 2.408 20 30 EEEDLO C=CCCCCCCCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000292802311 464347530 /nfs/dbraw/zinc/34/75/30/464347530.db2.gz ZJTUGYHHDJKBSF-KRWDZBQOSA-N 1 2 334.464 2.490 20 30 EEEDLO C=CCCCCCCCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000292802311 464347532 /nfs/dbraw/zinc/34/75/32/464347532.db2.gz ZJTUGYHHDJKBSF-KRWDZBQOSA-N 1 2 334.464 2.490 20 30 EEEDLO CC#CC[N@@H+](C)Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000293061314 464385179 /nfs/dbraw/zinc/38/51/79/464385179.db2.gz ILXMFUHPARODOF-UHFFFAOYSA-N 1 2 331.372 2.218 20 30 EEEDLO CC#CC[N@H+](C)Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000293061314 464385180 /nfs/dbraw/zinc/38/51/80/464385180.db2.gz ILXMFUHPARODOF-UHFFFAOYSA-N 1 2 331.372 2.218 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000245729009 464510559 /nfs/dbraw/zinc/51/05/59/464510559.db2.gz SOVZQFMSJGZLSY-ZIAGYGMSSA-N 1 2 333.398 2.144 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000245729009 464510561 /nfs/dbraw/zinc/51/05/61/464510561.db2.gz SOVZQFMSJGZLSY-ZIAGYGMSSA-N 1 2 333.398 2.144 20 30 EEEDLO COCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000245857101 464519472 /nfs/dbraw/zinc/51/94/72/464519472.db2.gz KEEQMWCDULIIQY-GOEBONIOSA-N 1 2 331.416 2.013 20 30 EEEDLO COCCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000245857101 464519474 /nfs/dbraw/zinc/51/94/74/464519474.db2.gz KEEQMWCDULIIQY-GOEBONIOSA-N 1 2 331.416 2.013 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000182240413 464609050 /nfs/dbraw/zinc/60/90/50/464609050.db2.gz RHKCGRCMMWYHFC-UHFFFAOYSA-N 1 2 333.398 2.146 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000182240413 464609052 /nfs/dbraw/zinc/60/90/52/464609052.db2.gz RHKCGRCMMWYHFC-UHFFFAOYSA-N 1 2 333.398 2.146 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2SC)C1=O ZINC000281973555 464653486 /nfs/dbraw/zinc/65/34/86/464653486.db2.gz LJQJXLYCVOLFAI-CQSZACIVSA-N 1 2 333.457 2.066 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2SC)C1=O ZINC000281973555 464653491 /nfs/dbraw/zinc/65/34/91/464653491.db2.gz LJQJXLYCVOLFAI-CQSZACIVSA-N 1 2 333.457 2.066 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](Cc2ccccc2OC)C[C@H]2CCCO2)C1=O ZINC000281985377 464658436 /nfs/dbraw/zinc/65/84/36/464658436.db2.gz MIVYJOHHQTYJFX-MSOLQXFVSA-N 1 2 344.455 2.463 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](Cc2ccccc2OC)C[C@H]2CCCO2)C1=O ZINC000281985377 464658439 /nfs/dbraw/zinc/65/84/39/464658439.db2.gz MIVYJOHHQTYJFX-MSOLQXFVSA-N 1 2 344.455 2.463 20 30 EEEDLO C#C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1)C(C)C ZINC000282115715 464702235 /nfs/dbraw/zinc/70/22/35/464702235.db2.gz FDEQCRAXHOBDES-ROUUACIJSA-N 1 2 329.444 2.017 20 30 EEEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3ccc4ccccc4n3)CC2)C1=O ZINC000282130633 464708332 /nfs/dbraw/zinc/70/83/32/464708332.db2.gz YSMHURGPHYSJMX-GOSISDBHSA-N 1 2 336.439 2.144 20 30 EEEDLO COc1cc(C(N)=[NH+]OCc2ncc(C)o2)cc(Cl)c1OC ZINC000266269512 464770929 /nfs/dbraw/zinc/77/09/29/464770929.db2.gz GJGXWMBXYHNKPE-UHFFFAOYSA-N 1 2 325.752 2.491 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000248637829 464776225 /nfs/dbraw/zinc/77/62/25/464776225.db2.gz YKOIAAASWJMOHP-MJGOQNOKSA-N 1 2 343.471 2.328 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000248637829 464776230 /nfs/dbraw/zinc/77/62/30/464776230.db2.gz YKOIAAASWJMOHP-MJGOQNOKSA-N 1 2 343.471 2.328 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)c1ccc(C#N)o1 ZINC000286491236 464937480 /nfs/dbraw/zinc/93/74/80/464937480.db2.gz LKKOQGMTRGKSRS-UHFFFAOYSA-N 1 2 344.396 2.178 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]nc3C3CC3)CC2)cc1 ZINC000276458340 464940011 /nfs/dbraw/zinc/94/00/11/464940011.db2.gz NNEXZZFNFMMPIT-UHFFFAOYSA-N 1 2 335.411 2.117 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000184059159 464942593 /nfs/dbraw/zinc/94/25/93/464942593.db2.gz GVYSUBCPJOMIKS-MSOLQXFVSA-N 1 2 346.471 2.173 20 30 EEEDLO COC(=O)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000192638339 464965659 /nfs/dbraw/zinc/96/56/59/464965659.db2.gz NCMFJAUPDNRNCD-LLVKDONJSA-N 1 2 349.456 2.178 20 30 EEEDLO COC(=O)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000192638339 464965663 /nfs/dbraw/zinc/96/56/63/464965663.db2.gz NCMFJAUPDNRNCD-LLVKDONJSA-N 1 2 349.456 2.178 20 30 EEEDLO C#CCN(C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)C1CCCC1 ZINC000177331882 464989174 /nfs/dbraw/zinc/98/91/74/464989174.db2.gz XYZBIXUOMXEDRB-UHFFFAOYSA-N 1 2 342.443 2.006 20 30 EEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000342658188 465338333 /nfs/dbraw/zinc/33/83/33/465338333.db2.gz FREGHBJRHVTJTO-HNNXBMFYSA-N 1 2 345.447 2.099 20 30 EEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000342658188 465338343 /nfs/dbraw/zinc/33/83/43/465338343.db2.gz FREGHBJRHVTJTO-HNNXBMFYSA-N 1 2 345.447 2.099 20 30 EEEDLO COCC1(C#N)CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000342844040 465358318 /nfs/dbraw/zinc/35/83/18/465358318.db2.gz WXDQVBQAVCKIAJ-UHFFFAOYSA-N 1 2 349.387 2.364 20 30 EEEDLO CCn1cc[nH+]c1[C@@H](NC(=O)N1CCCOCC1)C1CCOCC1 ZINC000329523805 465361562 /nfs/dbraw/zinc/36/15/62/465361562.db2.gz RUFHEYRGSRETEM-HNNXBMFYSA-N 1 2 336.436 2.007 20 30 EEEDLO Cc1cc(N2CC[C@@H](NC(=O)NC3CC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000329573753 465376167 /nfs/dbraw/zinc/37/61/67/465376167.db2.gz NMSWMTXGWPNWSA-OAHLLOKOSA-N 1 2 338.415 2.092 20 30 EEEDLO CCn1nc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c(=O)c2ccccc21 ZINC000329711734 465412595 /nfs/dbraw/zinc/41/25/95/465412595.db2.gz OXUJGQMNEKOPQR-ZDUSSCGKSA-N 1 2 340.427 2.371 20 30 EEEDLO CCn1nc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c(=O)c2ccccc21 ZINC000329711734 465412600 /nfs/dbraw/zinc/41/26/00/465412600.db2.gz OXUJGQMNEKOPQR-ZDUSSCGKSA-N 1 2 340.427 2.371 20 30 EEEDLO CCN1CCN(C(=O)NC2Cc3ccccc3C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329940957 465482094 /nfs/dbraw/zinc/48/20/94/465482094.db2.gz BWVCOAFAYUXZHQ-QGZVFWFLSA-N 1 2 339.443 2.170 20 30 EEEDLO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@H]1OCCc2ccccc21 ZINC000337634510 465484497 /nfs/dbraw/zinc/48/44/97/465484497.db2.gz BKJDADLQRJLRSR-HXUWFJFHSA-N 1 2 349.434 2.420 20 30 EEEDLO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@H]1OCCc2ccccc21 ZINC000337634510 465484503 /nfs/dbraw/zinc/48/45/03/465484503.db2.gz BKJDADLQRJLRSR-HXUWFJFHSA-N 1 2 349.434 2.420 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(OC)cc3c2O[C@H](C)C3)C1=O ZINC000343599996 465534190 /nfs/dbraw/zinc/53/41/90/465534190.db2.gz IRGWAROJHFDAGO-DYVFJYSZSA-N 1 2 330.428 2.237 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(OC)cc3c2O[C@H](C)C3)C1=O ZINC000343599996 465534194 /nfs/dbraw/zinc/53/41/94/465534194.db2.gz IRGWAROJHFDAGO-DYVFJYSZSA-N 1 2 330.428 2.237 20 30 EEEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCOC[C@H](C2CCC2)C1 ZINC000330125162 465540553 /nfs/dbraw/zinc/54/05/53/465540553.db2.gz BJAZHFUBFAWYEU-MRXNPFEDSA-N 1 2 346.475 2.424 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@H]1CCCC[C@@H]1O)C2 ZINC000330280643 465596539 /nfs/dbraw/zinc/59/65/39/465596539.db2.gz SSUJIKACKZXOPS-IHRRRGAJSA-N 1 2 334.464 2.303 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@H]1CCCC[C@@H]1O)C2 ZINC000330280643 465596545 /nfs/dbraw/zinc/59/65/45/465596545.db2.gz SSUJIKACKZXOPS-IHRRRGAJSA-N 1 2 334.464 2.303 20 30 EEEDLO CN(CC(C)(C)C#N)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000353212506 465719358 /nfs/dbraw/zinc/71/93/58/465719358.db2.gz LLBFEESDXLMHGP-UHFFFAOYSA-N 1 2 327.344 2.402 20 30 EEEDLO CC(C)(C)n1cc(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)cn1 ZINC000330643445 465744976 /nfs/dbraw/zinc/74/49/76/465744976.db2.gz FBSZHYPXPQTXKX-UHFFFAOYSA-N 1 2 336.440 2.115 20 30 EEEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[NH+]1CCC(F)(C#N)CC1 ZINC000348704682 465749263 /nfs/dbraw/zinc/74/92/63/465749263.db2.gz DXYDKABYDIKUQZ-UHFFFAOYSA-N 1 2 334.317 2.497 20 30 EEEDLO C=CCCOCCCCC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000353324819 465796832 /nfs/dbraw/zinc/79/68/32/465796832.db2.gz XPIDZYRSRISFHP-UHFFFAOYSA-N 1 2 332.448 2.197 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000366727094 465900957 /nfs/dbraw/zinc/90/09/57/465900957.db2.gz MBYJWSIEQCGBCQ-YOEHRIQHSA-N 1 2 332.448 2.042 20 30 EEEDLO Cc1ccc(C)c(N2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)c1 ZINC000346392665 466093214 /nfs/dbraw/zinc/09/32/14/466093214.db2.gz UFPKSTXUMXWOJA-QGZVFWFLSA-N 1 2 340.471 2.376 20 30 EEEDLO COc1ccncc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000346923656 466253067 /nfs/dbraw/zinc/25/30/67/466253067.db2.gz PRZZSDRETAIOCN-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO Cc1cc(NC2CCN(c3ccc(C#N)cn3)CC2)nc(C2CC2)[nH+]1 ZINC000363176813 466265329 /nfs/dbraw/zinc/26/53/29/466265329.db2.gz MOMSIOHZSMWISN-UHFFFAOYSA-N 1 2 334.427 3.010 20 30 EEEDLO COc1ccc2c(c1)OCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000338636330 466278984 /nfs/dbraw/zinc/27/89/84/466278984.db2.gz NYHYWGFIQWVFKY-KUHUBIRLSA-N 1 2 345.443 2.333 20 30 EEEDLO COc1ccc2c(c1)OCC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000338636330 466278988 /nfs/dbraw/zinc/27/89/88/466278988.db2.gz NYHYWGFIQWVFKY-KUHUBIRLSA-N 1 2 345.443 2.333 20 30 EEEDLO COc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000332732442 466558867 /nfs/dbraw/zinc/55/88/67/466558867.db2.gz WIPXZOYVTXDVIY-KUHUBIRLSA-N 1 2 329.444 2.496 20 30 EEEDLO COc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000332732442 466558872 /nfs/dbraw/zinc/55/88/72/466558872.db2.gz WIPXZOYVTXDVIY-KUHUBIRLSA-N 1 2 329.444 2.496 20 30 EEEDLO C=CCCCCCN(C)C(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000410643245 466721529 /nfs/dbraw/zinc/72/15/29/466721529.db2.gz OUGLNIKFTKTUKC-UHFFFAOYSA-N 1 2 346.475 2.383 20 30 EEEDLO C[C@@H]1CN(S(=O)(=O)CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000416606225 466743410 /nfs/dbraw/zinc/74/34/10/466743410.db2.gz GCIFPGPNMSKWJA-MRXNPFEDSA-N 1 2 335.473 2.216 20 30 EEEDLO C[C@@H]1CN(S(=O)(=O)CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000416606225 466743414 /nfs/dbraw/zinc/74/34/14/466743414.db2.gz GCIFPGPNMSKWJA-MRXNPFEDSA-N 1 2 335.473 2.216 20 30 EEEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000373407578 466794237 /nfs/dbraw/zinc/79/42/37/466794237.db2.gz VAQRYMAREJOAIW-KRWDZBQOSA-N 1 2 347.422 2.432 20 30 EEEDLO COC[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccco1 ZINC000411513129 466839444 /nfs/dbraw/zinc/83/94/44/466839444.db2.gz OCPYSQFRDQOODA-HZPDHXFCSA-N 1 2 325.368 2.234 20 30 EEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000376594374 466920710 /nfs/dbraw/zinc/92/07/10/466920710.db2.gz DTNQMFJBRDRSCT-IAGOWNOFSA-N 1 2 340.471 2.443 20 30 EEEDLO C[C@H](NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)[C@H](C)[NH+]1CCOCC1 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C[N@@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)CC(C)(C)C#N ZINC000433312674 467316850 /nfs/dbraw/zinc/31/68/50/467316850.db2.gz RRXNUWPGKOUHCU-MRXNPFEDSA-N 1 2 333.407 2.207 20 30 EEEDLO C[N@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)CC(C)(C)C#N ZINC000433328208 467318341 /nfs/dbraw/zinc/31/83/41/467318341.db2.gz VKMFXPCLXITPDA-UHFFFAOYSA-N 1 2 339.443 2.013 20 30 EEEDLO C[N@@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)CC(C)(C)C#N ZINC000433328208 467318343 /nfs/dbraw/zinc/31/83/43/467318343.db2.gz VKMFXPCLXITPDA-UHFFFAOYSA-N 1 2 339.443 2.013 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(OCC(F)(F)F)c1 ZINC000414148991 467384316 /nfs/dbraw/zinc/38/43/16/467384316.db2.gz UEQRMJBHJIVUAR-GFCCVEGCSA-N 1 2 332.322 2.213 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(OCC(F)(F)F)c1 ZINC000414148991 467384322 /nfs/dbraw/zinc/38/43/22/467384322.db2.gz UEQRMJBHJIVUAR-GFCCVEGCSA-N 1 2 332.322 2.213 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000437470027 467556488 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GRTSJRHXLQQDNU-INIZCTEOSA-N 1 2 339.505 2.127 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146431 468636689 /nfs/dbraw/zinc/63/66/89/468636689.db2.gz HQPDZPPFGNUEHQ-NHYWBVRUSA-N 1 2 341.333 2.383 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146431 468636693 /nfs/dbraw/zinc/63/66/93/468636693.db2.gz HQPDZPPFGNUEHQ-NHYWBVRUSA-N 1 2 341.333 2.383 20 30 EEEDLO CC(C)(C#N)c1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000597708248 468646088 /nfs/dbraw/zinc/64/60/88/468646088.db2.gz VPADGMCGKHKAQT-SFHVURJKSA-N 1 2 341.455 2.425 20 30 EEEDLO COCC[N@H+](C)Cc1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nn1 ZINC000594657277 468646278 /nfs/dbraw/zinc/64/62/78/468646278.db2.gz PQPKNBJAEKNCOY-UHFFFAOYSA-N 1 2 339.321 2.236 20 30 EEEDLO COCC[N@@H+](C)Cc1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nn1 ZINC000594657277 468646282 /nfs/dbraw/zinc/64/62/82/468646282.db2.gz PQPKNBJAEKNCOY-UHFFFAOYSA-N 1 2 339.321 2.236 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000583246999 468667854 /nfs/dbraw/zinc/66/78/54/468667854.db2.gz QNXSPMQVBLFJQO-OWCLPIDISA-N 1 2 344.390 2.291 20 30 EEEDLO COC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3C#N)nn2)CC1 ZINC000600976598 468703584 /nfs/dbraw/zinc/70/35/84/468703584.db2.gz VSUKRIFNSRNRNS-UHFFFAOYSA-N 1 2 331.807 2.403 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)cc1F ZINC000571116083 468740837 /nfs/dbraw/zinc/74/08/37/468740837.db2.gz ZULSOONBIAKBDI-UHFFFAOYSA-N 1 2 336.432 2.488 20 30 EEEDLO COc1ccc(-c2nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cs2)cc1 ZINC000584028960 468787483 /nfs/dbraw/zinc/78/74/83/468787483.db2.gz PDRZYXYZMLDYHT-KRWDZBQOSA-N 1 2 344.440 2.392 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000584452740 468873543 /nfs/dbraw/zinc/87/35/43/468873543.db2.gz POAZIRDHFPTSMP-KFWWJZLASA-N 1 2 339.386 2.210 20 30 EEEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000595610464 468921387 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COc1cccc([C@H](NC(=O)c2ccc(C#N)[nH]2)c2[nH+]ccn2C)c1 ZINC000611028535 469143255 /nfs/dbraw/zinc/14/32/55/469143255.db2.gz PJZDTTDTMAYYEX-INIZCTEOSA-N 1 2 335.367 2.148 20 30 EEEDLO CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC000611039216 469145815 /nfs/dbraw/zinc/14/58/15/469145815.db2.gz YWLAVXGUZJJQOH-CQSZACIVSA-N 1 2 341.415 2.344 20 30 EEEDLO CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC000611039216 469145824 /nfs/dbraw/zinc/14/58/24/469145824.db2.gz YWLAVXGUZJJQOH-CQSZACIVSA-N 1 2 341.415 2.344 20 30 EEEDLO CCN(C(=O)C[NH+]1CCN(CCC#N)CC1)[C@H](C)c1ccc(F)cc1 ZINC000611174939 469181535 /nfs/dbraw/zinc/18/15/35/469181535.db2.gz PNIZXZZAQNQNBJ-MRXNPFEDSA-N 1 2 346.450 2.266 20 30 EEEDLO CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(CCC#N)CC2)cc1 ZINC000611175484 469182334 /nfs/dbraw/zinc/18/23/34/469182334.db2.gz GMVPBJYGDIBMRI-CQSZACIVSA-N 1 2 332.473 2.267 20 30 EEEDLO CC(C)(C)n1ncc2c1nc(NCC1CCC(C#N)CC1)[nH+]c2N ZINC000596221219 469209924 /nfs/dbraw/zinc/20/99/24/469209924.db2.gz CMXOOPQUSCVHQW-UHFFFAOYSA-N 1 2 327.436 2.905 20 30 EEEDLO Cc1cc(C#N)ccc1CN1CCc2[nH+]c[nH]c2[C@@H]1c1ccnn1C ZINC000599445091 469261357 /nfs/dbraw/zinc/26/13/57/469261357.db2.gz PSASNVWSWOFEJV-IBGZPJMESA-N 1 2 332.411 2.471 20 30 EEEDLO C[NH+](C)[C@H](CNC(=O)N1CC[C@@](F)(C#N)C1)c1c(F)cccc1F ZINC000615547194 469262606 /nfs/dbraw/zinc/26/26/06/469262606.db2.gz XMQSYVIMTDREAR-CZUORRHYSA-N 1 2 340.349 2.215 20 30 EEEDLO CC(C)=C[C@H]1[C@@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1(C)C ZINC000604537994 469488822 /nfs/dbraw/zinc/48/88/22/469488822.db2.gz YAOOFMCSGQEYHW-IRXDYDNUSA-N 1 2 333.476 2.299 20 30 EEEDLO Cc1ccc(NC(=O)C(=O)NCc2ccc(C#N)c(Cl)c2)c(C)[nH+]1 ZINC000619838636 469689269 /nfs/dbraw/zinc/68/92/69/469689269.db2.gz ZJBSCKVHPKDPGU-UHFFFAOYSA-N 1 2 342.786 2.478 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@@H](C)O2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC000669015008 471348563 /nfs/dbraw/zinc/34/85/63/471348563.db2.gz XCMKJTDDJHGDNF-WCVJEAGWSA-N 1 2 331.464 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347.850 2.149 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc3ccncc3n2)C1 ZINC000970166712 675610382 /nfs/dbraw/zinc/61/03/82/675610382.db2.gz JGIAPSNAHZSADF-LBPRGKRZSA-N 1 2 330.819 2.432 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccccc2N(C)C(C)=O)C1 ZINC000970236904 675732840 /nfs/dbraw/zinc/73/28/40/675732840.db2.gz JHTWGPMOBZFLES-ZDUSSCGKSA-N 1 2 349.862 2.472 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(=O)[nH]c3c2CCCC3)C1 ZINC000970997468 676304391 /nfs/dbraw/zinc/30/43/91/676304391.db2.gz VHRUQCUTJLHISC-GFCCVEGCSA-N 1 2 349.862 2.469 20 30 EEEDLO C=C(C)[C@H](CC(=O)Nc1ccc(C(N)=O)cc1-n1cc[nH+]c1)OCC ZINC000891302189 676333414 /nfs/dbraw/zinc/33/34/14/676333414.db2.gz MYEGYYJTTQFQEI-INIZCTEOSA-N 1 2 342.399 2.281 20 30 EEEDLO C[N@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)c2ncccc2O)C1 ZINC000971394479 676520658 /nfs/dbraw/zinc/52/06/58/676520658.db2.gz PUKRDIZUUDDLLD-INIZCTEOSA-N 1 2 336.395 2.005 20 30 EEEDLO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCN(C(=O)c2ncccc2O)C1 ZINC000971394479 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C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Cc3cccs3)C2)C1 ZINC000972573503 679330183 /nfs/dbraw/zinc/33/01/83/679330183.db2.gz QQQWITLYXQHBFP-CRAIPNDOSA-N 1 2 334.485 2.416 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](CNC(=O)c2cnco2)C1 ZINC001023516199 679351390 /nfs/dbraw/zinc/35/13/90/679351390.db2.gz NECKJRNMCROSBD-CYBMUJFWSA-N 1 2 342.374 2.327 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](CNC(=O)c2cnco2)C1 ZINC001023516199 679351391 /nfs/dbraw/zinc/35/13/91/679351391.db2.gz NECKJRNMCROSBD-CYBMUJFWSA-N 1 2 342.374 2.327 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc([C@@H](C)CC)no3)C2)C1 ZINC000972584764 679360279 /nfs/dbraw/zinc/36/02/79/679360279.db2.gz BEGQHYRWSROPFV-HNAYVOBHSA-N 1 2 345.443 2.128 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc([C@@H](C)CC)no3)C2)C1 ZINC000972584764 679360282 /nfs/dbraw/zinc/36/02/82/679360282.db2.gz BEGQHYRWSROPFV-HNAYVOBHSA-N 1 2 345.443 2.128 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC000972586408 679364680 /nfs/dbraw/zinc/36/46/80/679364680.db2.gz XXXJBFDXBJAVME-SVFBPWRDSA-N 1 2 338.451 2.117 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC000972586408 679364682 /nfs/dbraw/zinc/36/46/82/679364682.db2.gz XXXJBFDXBJAVME-SVFBPWRDSA-N 1 2 338.451 2.117 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+](Cc3cn(CC)nn3)C2)CC1 ZINC001023573366 679386842 /nfs/dbraw/zinc/38/68/42/679386842.db2.gz XTWHNUOSOKJGLL-MRXNPFEDSA-N 1 2 345.491 2.373 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+](Cc3cn(CC)nn3)C2)CC1 ZINC001023573366 679386845 /nfs/dbraw/zinc/38/68/45/679386845.db2.gz XTWHNUOSOKJGLL-MRXNPFEDSA-N 1 2 345.491 2.373 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4ccccc4n3)C2)C1 ZINC000972649267 679506413 /nfs/dbraw/zinc/50/64/13/679506413.db2.gz GZWRECBMDJMGRJ-OAQYLSRUSA-N 1 2 349.434 2.175 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4ccccc4n3)C2)C1 ZINC000972649267 679506416 /nfs/dbraw/zinc/50/64/16/679506416.db2.gz GZWRECBMDJMGRJ-OAQYLSRUSA-N 1 2 349.434 2.175 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3cccc(F)c3)C2)C1 ZINC000972684738 679599845 /nfs/dbraw/zinc/59/98/45/679599845.db2.gz WPCCWKFKIAAUDC-BEFAXECRSA-N 1 2 332.419 2.419 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3cccc(F)c3)C2)C1 ZINC000972684738 679599846 /nfs/dbraw/zinc/59/98/46/679599846.db2.gz WPCCWKFKIAAUDC-BEFAXECRSA-N 1 2 332.419 2.419 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C)c4c3CCC4)C2)C1 ZINC000972692235 679613551 /nfs/dbraw/zinc/61/35/51/679613551.db2.gz MMLGHPAGYQUTSU-NRFANRHFSA-N 1 2 338.451 2.034 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C)c4c3CCC4)C2)C1 ZINC000972692235 679613552 /nfs/dbraw/zinc/61/35/52/679613552.db2.gz MMLGHPAGYQUTSU-NRFANRHFSA-N 1 2 338.451 2.034 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Cc3ccc(F)cc3)C2)C1 ZINC000972694324 679617894 /nfs/dbraw/zinc/61/78/94/679617894.db2.gz AUPNHAIVXLSQGE-OXJNMPFZSA-N 1 2 346.446 2.494 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Cc3ccc(F)cc3)C2)C1 ZINC000972694324 679617895 /nfs/dbraw/zinc/61/78/95/679617895.db2.gz AUPNHAIVXLSQGE-OXJNMPFZSA-N 1 2 346.446 2.494 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Cc3ccc(C)cc3)C2)C1 ZINC000972694913 679620190 /nfs/dbraw/zinc/62/01/90/679620190.db2.gz QTVYPGOWLWDFLN-GHTZIAJQSA-N 1 2 340.467 2.110 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Cc3ccc(C)cc3)C2)C1 ZINC000972694913 679620194 /nfs/dbraw/zinc/62/01/94/679620194.db2.gz QTVYPGOWLWDFLN-GHTZIAJQSA-N 1 2 340.467 2.110 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)s1 ZINC001024380427 679888549 /nfs/dbraw/zinc/88/85/49/679888549.db2.gz LUCQCNWGIMDUHW-CQSZACIVSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1cnc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)s1 ZINC001024380427 679888550 /nfs/dbraw/zinc/88/85/50/679888550.db2.gz LUCQCNWGIMDUHW-CQSZACIVSA-N 1 2 343.456 2.436 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)C(C)(C)C1 ZINC000974743557 685366036 /nfs/dbraw/zinc/36/60/36/685366036.db2.gz RJOYQLKTLOIDMG-KGLIPLIRSA-N 1 2 336.867 2.025 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)C(C)(C)C1 ZINC000974743557 685366038 /nfs/dbraw/zinc/36/60/38/685366038.db2.gz RJOYQLKTLOIDMG-KGLIPLIRSA-N 1 2 336.867 2.025 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2csnn2)s1 ZINC001024578351 681227756 /nfs/dbraw/zinc/22/77/56/681227756.db2.gz RJNVEKWOVNSMBD-LLVKDONJSA-N 1 2 347.469 2.256 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2csnn2)s1 ZINC001024578351 681227759 /nfs/dbraw/zinc/22/77/59/681227759.db2.gz RJNVEKWOVNSMBD-LLVKDONJSA-N 1 2 347.469 2.256 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N(C)[C@H](C)CC(C)C)cc1 ZINC000177477844 681310366 /nfs/dbraw/zinc/31/03/66/681310366.db2.gz IBZKGTPUAPLOMP-CQSZACIVSA-N 1 2 335.448 2.420 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cncc(F)c1 ZINC001024661397 681325056 /nfs/dbraw/zinc/32/50/56/681325056.db2.gz FQQLMARUMDBXEQ-KSZLIROESA-N 1 2 347.434 2.283 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cncc(F)c1 ZINC001024661397 681325059 /nfs/dbraw/zinc/32/50/59/681325059.db2.gz FQQLMARUMDBXEQ-KSZLIROESA-N 1 2 347.434 2.283 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000983080086 681756110 /nfs/dbraw/zinc/75/61/10/681756110.db2.gz XVYAIADTNDYICF-KBPBESRZSA-N 1 2 344.459 2.007 20 30 EEEDLO N#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001025250902 682329071 /nfs/dbraw/zinc/32/90/71/682329071.db2.gz ONNOSZNLIULPPB-HZPDHXFCSA-N 1 2 337.427 2.317 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](Cc3ncnn3C)C2)CC1 ZINC001025524085 682951364 /nfs/dbraw/zinc/95/13/64/682951364.db2.gz RVGDBACEXKXUAP-RDJZCZTQSA-N 1 2 345.491 2.278 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](Cc3ncnn3C)C2)CC1 ZINC001025524085 682951368 /nfs/dbraw/zinc/95/13/68/682951368.db2.gz RVGDBACEXKXUAP-RDJZCZTQSA-N 1 2 345.491 2.278 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000983643981 683039026 /nfs/dbraw/zinc/03/90/26/683039026.db2.gz GIPWJUCFFDRNNB-SJORKVTESA-N 1 2 344.459 2.173 20 30 EEEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1SCC#N ZINC000928637236 685642646 /nfs/dbraw/zinc/64/26/46/685642646.db2.gz VRGLGYAPGXFKIJ-AWEZNQCLSA-N 1 2 333.457 2.143 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)C(F)F)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000992949564 683677911 /nfs/dbraw/zinc/67/79/11/683677911.db2.gz PPXVVALGSMZUTN-HZMBPMFUSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)C(F)F)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000992949564 683677913 /nfs/dbraw/zinc/67/79/13/683677913.db2.gz PPXVVALGSMZUTN-HZMBPMFUSA-N 1 2 325.334 2.432 20 30 EEEDLO CO[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)C1CC1 ZINC001029291256 683871346 /nfs/dbraw/zinc/87/13/46/683871346.db2.gz NZBDCLAVVYEUSN-HSALFYBXSA-N 1 2 338.451 2.138 20 30 EEEDLO CO[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)C1CC1 ZINC001029291256 683871350 /nfs/dbraw/zinc/87/13/50/683871350.db2.gz NZBDCLAVVYEUSN-HSALFYBXSA-N 1 2 338.451 2.138 20 30 EEEDLO Cc1n[nH]cc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029415312 684394358 /nfs/dbraw/zinc/39/43/58/684394358.db2.gz ALMPQFLQROHLKW-HDICACEKSA-N 1 2 334.423 2.059 20 30 EEEDLO Cc1n[nH]cc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029415312 684394363 /nfs/dbraw/zinc/39/43/63/684394363.db2.gz ALMPQFLQROHLKW-HDICACEKSA-N 1 2 334.423 2.059 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)NC1CCCC1 ZINC001029422023 684481781 /nfs/dbraw/zinc/48/17/81/684481781.db2.gz QZWLHYLSFOSLKK-OIISXLGYSA-N 1 2 347.503 2.321 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)NC1CCCC1 ZINC001029422023 684481783 /nfs/dbraw/zinc/48/17/83/684481783.db2.gz QZWLHYLSFOSLKK-OIISXLGYSA-N 1 2 347.503 2.321 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000899906927 693919856 /nfs/dbraw/zinc/91/98/56/693919856.db2.gz UBYUIKOXCCVIIG-SNVBAGLBSA-N 1 2 347.293 2.199 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000899906927 693919859 /nfs/dbraw/zinc/91/98/59/693919859.db2.gz UBYUIKOXCCVIIG-SNVBAGLBSA-N 1 2 347.293 2.199 20 30 EEEDLO Cc1cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001058734336 685025876 /nfs/dbraw/zinc/02/58/76/685025876.db2.gz MVXGSORIJLEDEL-YUELXQCFSA-N 1 2 327.432 2.248 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)c1csnn1 ZINC000974910249 685722050 /nfs/dbraw/zinc/72/20/50/685722050.db2.gz YSJCMMPSKKZNOE-ZDUSSCGKSA-N 1 2 347.469 2.112 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)c1csnn1 ZINC000974910249 685722054 /nfs/dbraw/zinc/72/20/54/685722054.db2.gz YSJCMMPSKKZNOE-ZDUSSCGKSA-N 1 2 347.469 2.112 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(CC)n3C)[C@@H](C)C2)C1 ZINC000947701649 685749838 /nfs/dbraw/zinc/74/98/38/685749838.db2.gz FCGJRAMMHGHLLU-LSDHHAIUSA-N 1 2 345.491 2.203 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(CC)n3C)[C@@H](C)C2)C1 ZINC000947701649 685749843 /nfs/dbraw/zinc/74/98/43/685749843.db2.gz FCGJRAMMHGHLLU-LSDHHAIUSA-N 1 2 345.491 2.203 20 30 EEEDLO CC(C)c1nnc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)s1 ZINC001029678317 686766419 /nfs/dbraw/zinc/76/64/19/686766419.db2.gz OLDDGKHMJYXDQD-OLZOCXBDSA-N 1 2 335.477 2.101 20 30 EEEDLO CC(C)c1nnc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)s1 ZINC001029678317 686766422 /nfs/dbraw/zinc/76/64/22/686766422.db2.gz OLDDGKHMJYXDQD-OLZOCXBDSA-N 1 2 335.477 2.101 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nncs2)C1 ZINC001029756162 687020461 /nfs/dbraw/zinc/02/04/61/687020461.db2.gz YISLYEZLCADECA-AWEZNQCLSA-N 1 2 345.472 2.120 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H](C[N@H+](C)Cc2nncs2)C1 ZINC001029756162 687020464 /nfs/dbraw/zinc/02/04/64/687020464.db2.gz YISLYEZLCADECA-AWEZNQCLSA-N 1 2 345.472 2.120 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CCCO2)C1 ZINC001027314116 687390595 /nfs/dbraw/zinc/39/05/95/687390595.db2.gz QIVPSOXDWQTZQA-KBPBESRZSA-N 1 2 345.281 2.387 20 30 EEEDLO 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C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC001033362579 1194474944 /nfs/dbraw/zinc/47/49/44/1194474944.db2.gz MOQDWIHSXJEJHM-UONOGXRCSA-N 1 2 336.867 2.125 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(OC)nn3)C2)CC1 ZINC001033388513 1194521443 /nfs/dbraw/zinc/52/14/43/1194521443.db2.gz CJWSMYDIFACCTI-QGZVFWFLSA-N 1 2 344.459 2.264 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(OC)nn3)C2)CC1 ZINC001033388513 1194521446 /nfs/dbraw/zinc/52/14/46/1194521446.db2.gz CJWSMYDIFACCTI-QGZVFWFLSA-N 1 2 344.459 2.264 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+]([C@H](C)c3ncc(C)o3)C2)cn1 ZINC001033599985 1194936876 /nfs/dbraw/zinc/93/68/76/1194936876.db2.gz VWSLOICWIQMSFJ-RHSMWYFYSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+]([C@H](C)c3ncc(C)o3)C2)cn1 ZINC001033599985 1194936878 /nfs/dbraw/zinc/93/68/78/1194936878.db2.gz VWSLOICWIQMSFJ-RHSMWYFYSA-N 1 2 338.411 2.267 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@H]2C)C1 ZINC001005259903 1195001360 /nfs/dbraw/zinc/00/13/60/1195001360.db2.gz YLBWLZZNPJDZCF-CABCVRRESA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC001033657024 1195010066 /nfs/dbraw/zinc/01/00/66/1195010066.db2.gz HSFGIYYWKIKFLA-CYBMUJFWSA-N 1 2 333.823 2.165 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC001033657024 1195010067 /nfs/dbraw/zinc/01/00/67/1195010067.db2.gz HSFGIYYWKIKFLA-CYBMUJFWSA-N 1 2 333.823 2.165 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001033649766 1195014200 /nfs/dbraw/zinc/01/42/00/1195014200.db2.gz DYYNKZIRARQRHU-OAHLLOKOSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001033649766 1195014205 /nfs/dbraw/zinc/01/42/05/1195014205.db2.gz DYYNKZIRARQRHU-OAHLLOKOSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001033843862 1195371811 /nfs/dbraw/zinc/37/18/11/1195371811.db2.gz NCMOPJZYKDVOMH-OAHLLOKOSA-N 1 2 347.846 2.470 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001033843862 1195371814 /nfs/dbraw/zinc/37/18/14/1195371814.db2.gz NCMOPJZYKDVOMH-OAHLLOKOSA-N 1 2 347.846 2.470 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)nnn3C)C1 ZINC001033875686 1195412605 /nfs/dbraw/zinc/41/26/05/1195412605.db2.gz YITNNLVKNFULFG-CQSZACIVSA-N 1 2 347.850 2.257 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)nnn3C)C1 ZINC001033875686 1195412606 /nfs/dbraw/zinc/41/26/06/1195412606.db2.gz YITNNLVKNFULFG-CQSZACIVSA-N 1 2 347.850 2.257 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2Cc3cccnc3C2)C1 ZINC001034026524 1195654270 /nfs/dbraw/zinc/65/42/70/1195654270.db2.gz RWQXRXZBOHOWCD-CVEARBPZSA-N 1 2 333.863 2.472 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2Cc3cccnc3C2)C1 ZINC001034026524 1195654272 /nfs/dbraw/zinc/65/42/72/1195654272.db2.gz RWQXRXZBOHOWCD-CVEARBPZSA-N 1 2 333.863 2.472 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001034121128 1195805226 /nfs/dbraw/zinc/80/52/26/1195805226.db2.gz IFCKRRVDHGQPPK-KRWDZBQOSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001034121128 1195805229 /nfs/dbraw/zinc/80/52/29/1195805229.db2.gz IFCKRRVDHGQPPK-KRWDZBQOSA-N 1 2 341.390 2.205 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C1CC[NH+](Cc2nc(C)no2)CC1 ZINC001005512120 1195835680 /nfs/dbraw/zinc/83/56/80/1195835680.db2.gz WMIKSCIHFQINHH-UHFFFAOYSA-N 1 2 343.431 2.102 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2coc(OCC)n2)C1 ZINC001034288620 1196051774 /nfs/dbraw/zinc/05/17/74/1196051774.db2.gz LSLGXXQKUGHRIT-GFCCVEGCSA-N 1 2 327.812 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2coc(OCC)n2)C1 ZINC001034288620 1196051775 /nfs/dbraw/zinc/05/17/75/1196051775.db2.gz LSLGXXQKUGHRIT-GFCCVEGCSA-N 1 2 327.812 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001034371360 1196141821 /nfs/dbraw/zinc/14/18/21/1196141821.db2.gz IFJVDKBBZPLIKF-NSHDSACASA-N 1 2 349.822 2.000 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001034371360 1196141823 /nfs/dbraw/zinc/14/18/23/1196141823.db2.gz IFJVDKBBZPLIKF-NSHDSACASA-N 1 2 349.822 2.000 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3nocc3C)C2)cn1 ZINC001034493362 1196283477 /nfs/dbraw/zinc/28/34/77/1196283477.db2.gz MDONFJINYFSNLA-QGZVFWFLSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](Cc3nocc3C)C2)cn1 ZINC001034493362 1196283480 /nfs/dbraw/zinc/28/34/80/1196283480.db2.gz MDONFJINYFSNLA-QGZVFWFLSA-N 1 2 338.411 2.144 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(OC(C)C)c1 ZINC001018168551 1224421008 /nfs/dbraw/zinc/42/10/08/1224421008.db2.gz YMIQZUXAGBGIGI-CALCHBBNSA-N 1 2 327.428 2.181 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(OC(C)C)c1 ZINC001018168551 1224421013 /nfs/dbraw/zinc/42/10/13/1224421013.db2.gz YMIQZUXAGBGIGI-CALCHBBNSA-N 1 2 327.428 2.181 20 30 EEEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](Cc3cccc4n[nH]cc43)C[C@@]2(F)C1=O ZINC001273410599 1198644356 /nfs/dbraw/zinc/64/43/56/1198644356.db2.gz RSNYQNAFDKCNSB-ZWKOTPCHSA-N 1 2 346.381 2.213 20 30 EEEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](Cc3cccc4n[nH]cc43)C[C@@]2(F)C1=O ZINC001273410599 1198644360 /nfs/dbraw/zinc/64/43/60/1198644360.db2.gz RSNYQNAFDKCNSB-ZWKOTPCHSA-N 1 2 346.381 2.213 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(F)ccc(C#N)c1F ZINC001273421524 1198777575 /nfs/dbraw/zinc/77/75/75/1198777575.db2.gz NRQNCQKBJLPCST-HZPDHXFCSA-N 1 2 329.350 2.035 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(F)ccc(C#N)c1F ZINC001273421524 1198777578 /nfs/dbraw/zinc/77/75/78/1198777578.db2.gz NRQNCQKBJLPCST-HZPDHXFCSA-N 1 2 329.350 2.035 20 30 EEEDLO N#Cc1ccc(NCC(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)cc1 ZINC000874895850 1199064468 /nfs/dbraw/zinc/06/44/68/1199064468.db2.gz GEMKNYMJUXAKGS-GOSISDBHSA-N 1 2 338.386 2.282 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CC2(O)CCC2)CC[C@@H]1C ZINC001132016772 1199211618 /nfs/dbraw/zinc/21/16/18/1199211618.db2.gz JPVKNVCQZPELRH-STQMWFEESA-N 1 2 345.281 2.169 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CC2(O)CCC2)CC[C@@H]1C ZINC001132016772 1199211622 /nfs/dbraw/zinc/21/16/22/1199211622.db2.gz JPVKNVCQZPELRH-STQMWFEESA-N 1 2 345.281 2.169 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2cccc(C)c2F)CC[C@@H]1C ZINC001132055111 1199242239 /nfs/dbraw/zinc/24/22/39/1199242239.db2.gz XKIBRPJKQMEKNF-LSDHHAIUSA-N 1 2 347.434 2.019 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2cccc(C)c2F)CC[C@@H]1C ZINC001132055111 1199242243 /nfs/dbraw/zinc/24/22/43/1199242243.db2.gz XKIBRPJKQMEKNF-LSDHHAIUSA-N 1 2 347.434 2.019 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cc(C)cc(C)c1 ZINC001018264738 1224544049 /nfs/dbraw/zinc/54/40/49/1224544049.db2.gz YJQBRCDXOWWVKA-HDICACEKSA-N 1 2 326.440 2.381 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cc(C)cc(C)c1 ZINC001018264738 1224544053 /nfs/dbraw/zinc/54/40/53/1224544053.db2.gz YJQBRCDXOWWVKA-HDICACEKSA-N 1 2 326.440 2.381 20 30 EEEDLO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cnnn2CC)C1 ZINC001132227362 1199467052 /nfs/dbraw/zinc/46/70/52/1199467052.db2.gz BYAUAKBZCJRQHO-SJORKVTESA-N 1 2 345.491 2.351 20 30 EEEDLO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cnnn2CC)C1 ZINC001132227362 1199467054 /nfs/dbraw/zinc/46/70/54/1199467054.db2.gz BYAUAKBZCJRQHO-SJORKVTESA-N 1 2 345.491 2.351 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nnc(Cc2ccccc2)o1 ZINC001132395558 1199651609 /nfs/dbraw/zinc/65/16/09/1199651609.db2.gz GAORFFUPGUKJRG-UHFFFAOYSA-N 1 2 328.416 2.078 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COCc2cccnc2)CC[C@@H]1C ZINC001132448110 1199736896 /nfs/dbraw/zinc/73/68/96/1199736896.db2.gz FIDNQUGXZVUELD-HOCLYGCPSA-N 1 2 337.851 2.320 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COCc2cccnc2)CC[C@@H]1C ZINC001132448110 1199736901 /nfs/dbraw/zinc/73/69/01/1199736901.db2.gz FIDNQUGXZVUELD-HOCLYGCPSA-N 1 2 337.851 2.320 20 30 EEEDLO Cc1cc(N2C[C@@H](NC(=O)C#CC3CC3)C(C)(C)C2)nc(C2CC2)[nH+]1 ZINC001114450466 1200225116 /nfs/dbraw/zinc/22/51/16/1200225116.db2.gz CJZSUVOSAQLLQJ-MRXNPFEDSA-N 1 2 338.455 2.407 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc([C@@H](O)C(F)(F)F)cc1 ZINC000869888278 1200340882 /nfs/dbraw/zinc/34/08/82/1200340882.db2.gz NLFCBBZXLLCOGP-UONOGXRCSA-N 1 2 326.318 2.318 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc([C@@H](O)C(F)(F)F)cc1 ZINC000869888278 1200340888 /nfs/dbraw/zinc/34/08/88/1200340888.db2.gz NLFCBBZXLLCOGP-UONOGXRCSA-N 1 2 326.318 2.318 20 30 EEEDLO COc1ccc([C@H]2CN(C(=O)c3ccc(C#N)c(O)c3)CC[NH2+]2)cc1 ZINC000870143548 1200505427 /nfs/dbraw/zinc/50/54/27/1200505427.db2.gz VOOVLJUMAONDGJ-QGZVFWFLSA-N 1 2 337.379 2.059 20 30 EEEDLO COc1cccc([C@H]2CN(C(=O)c3cc(C#N)ccc3F)CC[NH2+]2)c1 ZINC000870154294 1200517009 /nfs/dbraw/zinc/51/70/09/1200517009.db2.gz IYZHMPCIIPYXAS-GOSISDBHSA-N 1 2 339.370 2.493 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](c2n[nH]c(C)n2)C1)c1ccccc1 ZINC000878710638 1200632583 /nfs/dbraw/zinc/63/25/83/1200632583.db2.gz FZRJRVFMHTVFBJ-QFBILLFUSA-N 1 2 337.427 2.343 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@H](c2n[nH]c(C)n2)C1)c1ccccc1 ZINC000878710638 1200632586 /nfs/dbraw/zinc/63/25/86/1200632586.db2.gz FZRJRVFMHTVFBJ-QFBILLFUSA-N 1 2 337.427 2.343 20 30 EEEDLO Cc1cc(N2C[C@@H](NC(=O)[C@@H](C)C#N)C(C)(C)C2)nc(C(C)C)[nH+]1 ZINC001114440190 1201952579 /nfs/dbraw/zinc/95/25/79/1201952579.db2.gz SJJZQZOCJRWDMB-GXTWGEPZSA-N 1 2 329.448 2.399 20 30 EEEDLO C#CCCCC(=O)N1C[C@@H](C)OC2(CC[NH+](Cc3ccon3)CC2)C1 ZINC001111542439 1204910001 /nfs/dbraw/zinc/91/00/01/1204910001.db2.gz SFSPSRVBDZZRTN-MRXNPFEDSA-N 1 2 345.443 2.060 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C[C@H]2CC=CCC2)cc1C#N ZINC001275041146 1205242771 /nfs/dbraw/zinc/24/27/71/1205242771.db2.gz ZDKQYMRDBMBLOM-FFZOFVMBSA-N 1 2 340.471 2.138 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3C[C@H]2CC=CCC2)cc1C#N ZINC001275041146 1205242773 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EEEDLO C#CC1(O)CC[NH+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)CC1 ZINC000931146097 1206610879 /nfs/dbraw/zinc/61/08/79/1206610879.db2.gz UBLNXAGVRDOQBZ-INIZCTEOSA-N 1 2 334.485 2.412 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnnn1CC ZINC001111072775 1207942505 /nfs/dbraw/zinc/94/25/05/1207942505.db2.gz RXURMBGOGXMUHI-BMFZPTHFSA-N 1 2 331.464 2.122 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnnn1CC ZINC001111072775 1207942508 /nfs/dbraw/zinc/94/25/08/1207942508.db2.gz RXURMBGOGXMUHI-BMFZPTHFSA-N 1 2 331.464 2.122 20 30 EEEDLO C[N@@H+]1CCCC[C@H]1C(=O)O[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000778807856 1208360326 /nfs/dbraw/zinc/36/03/26/1208360326.db2.gz MWESRBIADKBGCD-IRXDYDNUSA-N 1 2 341.411 2.081 20 30 EEEDLO C[N@H+]1CCCC[C@H]1C(=O)O[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000778807856 1208360329 /nfs/dbraw/zinc/36/03/29/1208360329.db2.gz MWESRBIADKBGCD-IRXDYDNUSA-N 1 2 341.411 2.081 20 30 EEEDLO C=CCC(C)(C)C(=O)NCCCN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001095750004 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QSOZKNUWFIIDIE-ZIAGYGMSSA-N 1 2 337.345 2.433 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cn(CC)nn1 ZINC000960828862 1216929595 /nfs/dbraw/zinc/92/95/95/1216929595.db2.gz SOIWEYMQPXZBQA-AEFFLSMTSA-N 1 2 333.480 2.323 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cn(CC)nn1 ZINC000960828862 1216929598 /nfs/dbraw/zinc/92/95/98/1216929598.db2.gz SOIWEYMQPXZBQA-AEFFLSMTSA-N 1 2 333.480 2.323 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC001015819629 1225709332 /nfs/dbraw/zinc/70/93/32/1225709332.db2.gz MPXOLAMWXIUECI-INIZCTEOSA-N 1 2 342.830 2.227 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC001015819629 1225709336 /nfs/dbraw/zinc/70/93/36/1225709336.db2.gz MPXOLAMWXIUECI-INIZCTEOSA-N 1 2 342.830 2.227 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC2(C[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000964967145 1218766340 /nfs/dbraw/zinc/76/63/40/1218766340.db2.gz ARYPBCPRRCPIBI-KBXCAEBGSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000965239815 1218981275 /nfs/dbraw/zinc/98/12/75/1218981275.db2.gz XUPPFGAUAYOHSI-AWEZNQCLSA-N 1 2 332.448 2.052 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1NC(=O)c1cocn1 ZINC000965557184 1219143482 /nfs/dbraw/zinc/14/34/82/1219143482.db2.gz KIRNIFUEGCZCHG-LRDDRELGSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1NC(=O)c1cocn1 ZINC000965557184 1219143483 /nfs/dbraw/zinc/14/34/83/1219143483.db2.gz KIRNIFUEGCZCHG-LRDDRELGSA-N 1 2 342.374 2.326 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@@H]1C ZINC000966697775 1219955702 /nfs/dbraw/zinc/95/57/02/1219955702.db2.gz ZJVIBWULTIDDTG-RDJZCZTQSA-N 1 2 341.459 2.048 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1C[N@H+](Cc2ccn(C)n2)CC[C@@H]1C ZINC000966697775 1219955708 /nfs/dbraw/zinc/95/57/08/1219955708.db2.gz ZJVIBWULTIDDTG-RDJZCZTQSA-N 1 2 341.459 2.048 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c(c2)nnn3C)C1 ZINC000966911373 1220114688 /nfs/dbraw/zinc/11/46/88/1220114688.db2.gz AFWZEMZUCHMKKN-ABAIWWIYSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c(c2)nnn3C)C1 ZINC000966911373 1220114690 /nfs/dbraw/zinc/11/46/90/1220114690.db2.gz AFWZEMZUCHMKKN-ABAIWWIYSA-N 1 2 347.850 2.161 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2[nH]nc(C3CC3)c2Cl)C1 ZINC000967232038 1220349005 /nfs/dbraw/zinc/34/90/05/1220349005.db2.gz SJHACFBZZCLPKD-DGCLKSJQSA-N 1 2 334.851 2.404 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2[nH]nc(C3CC3)c2Cl)C1 ZINC000967232038 1220349011 /nfs/dbraw/zinc/34/90/11/1220349011.db2.gz SJHACFBZZCLPKD-DGCLKSJQSA-N 1 2 334.851 2.404 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)cc3F)C2)nc1 ZINC001016020790 1225965217 /nfs/dbraw/zinc/96/52/17/1225965217.db2.gz VZYMXJSYNJNZCY-INIZCTEOSA-N 1 2 341.361 2.345 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)cc3F)C2)nc1 ZINC001016020790 1225965220 /nfs/dbraw/zinc/96/52/20/1225965220.db2.gz VZYMXJSYNJNZCY-INIZCTEOSA-N 1 2 341.361 2.345 20 30 EEEDLO C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)C1 ZINC000967401833 1220483355 /nfs/dbraw/zinc/48/33/55/1220483355.db2.gz HWODHTVOVKSUJF-PWSUYJOCSA-N 1 2 342.365 2.200 20 30 EEEDLO C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)C1 ZINC000967401833 1220483358 /nfs/dbraw/zinc/48/33/58/1220483358.db2.gz HWODHTVOVKSUJF-PWSUYJOCSA-N 1 2 342.365 2.200 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000967629444 1220690166 /nfs/dbraw/zinc/69/01/66/1220690166.db2.gz BDDKLPQIXGZUEW-HNNXBMFYSA-N 1 2 346.475 2.394 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ncccc2OC)C1 ZINC000968036566 1221002245 /nfs/dbraw/zinc/00/22/45/1221002245.db2.gz RYVZPBLXVGLNQQ-DOMZBBRYSA-N 1 2 337.851 2.212 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ncccc2OC)C1 ZINC000968036566 1221002247 /nfs/dbraw/zinc/00/22/47/1221002247.db2.gz RYVZPBLXVGLNQQ-DOMZBBRYSA-N 1 2 337.851 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2nnn(C(C)C)c2C)C1 ZINC000968485217 1221342134 /nfs/dbraw/zinc/34/21/34/1221342134.db2.gz YEBGJYXILWAXPX-SMDDNHRTSA-N 1 2 339.871 2.360 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2nnn(C(C)C)c2C)C1 ZINC000968485217 1221342139 /nfs/dbraw/zinc/34/21/39/1221342139.db2.gz YEBGJYXILWAXPX-SMDDNHRTSA-N 1 2 339.871 2.360 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cn3nccc3nc2C)C1 ZINC000968488600 1221344776 /nfs/dbraw/zinc/34/47/76/1221344776.db2.gz LNAWGDJGATVJRB-NHYWBVRUSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cn3nccc3nc2C)C1 ZINC000968488600 1221344780 /nfs/dbraw/zinc/34/47/80/1221344780.db2.gz LNAWGDJGATVJRB-NHYWBVRUSA-N 1 2 347.850 2.230 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)[nH]1 ZINC001006940944 1222024908 /nfs/dbraw/zinc/02/49/08/1222024908.db2.gz TXSIYSGMYVFTNX-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)[nH]1 ZINC001006940944 1222024911 /nfs/dbraw/zinc/02/49/11/1222024911.db2.gz TXSIYSGMYVFTNX-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)cnn1 ZINC001007203442 1222128205 /nfs/dbraw/zinc/12/82/05/1222128205.db2.gz ABUOFHSVOGQNFO-GOSISDBHSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)cnn1 ZINC001007203442 1222128208 /nfs/dbraw/zinc/12/82/08/1222128208.db2.gz ABUOFHSVOGQNFO-GOSISDBHSA-N 1 2 335.411 2.051 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001007357128 1222188210 /nfs/dbraw/zinc/18/82/10/1222188210.db2.gz NQIOJXFNOGCUBL-NUJGCVRESA-N 1 2 347.459 2.353 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2nc(C)oc2C)C1 ZINC001007357128 1222188212 /nfs/dbraw/zinc/18/82/12/1222188212.db2.gz NQIOJXFNOGCUBL-NUJGCVRESA-N 1 2 347.459 2.353 20 30 EEEDLO CCc1n[nH]cc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001007755380 1222401933 /nfs/dbraw/zinc/40/19/33/1222401933.db2.gz HSHOHGYDHKGEMI-GFCCVEGCSA-N 1 2 343.456 2.300 20 30 EEEDLO CCc1n[nH]cc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001007755380 1222401937 /nfs/dbraw/zinc/40/19/37/1222401937.db2.gz HSHOHGYDHKGEMI-GFCCVEGCSA-N 1 2 343.456 2.300 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3cc(F)c[nH]3)C2)s1 ZINC001007978360 1222543492 /nfs/dbraw/zinc/54/34/92/1222543492.db2.gz MAABKYCXOLKLBC-LBPRGKRZSA-N 1 2 332.404 2.481 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3cc(F)c[nH]3)C2)s1 ZINC001007978360 1222543496 /nfs/dbraw/zinc/54/34/96/1222543496.db2.gz MAABKYCXOLKLBC-LBPRGKRZSA-N 1 2 332.404 2.481 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001008122885 1222635676 /nfs/dbraw/zinc/63/56/76/1222635676.db2.gz NQKUWWMFGFENJV-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001008122885 1222635681 /nfs/dbraw/zinc/63/56/81/1222635681.db2.gz NQKUWWMFGFENJV-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)c3cnccn3)C2)cc1 ZINC001008148959 1222653574 /nfs/dbraw/zinc/65/35/74/1222653574.db2.gz OVZIKXZFPZCVIW-YJBOKZPZSA-N 1 2 334.423 2.413 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)c3cnccn3)C2)cc1 ZINC001008148959 1222653576 /nfs/dbraw/zinc/65/35/76/1222653576.db2.gz OVZIKXZFPZCVIW-YJBOKZPZSA-N 1 2 334.423 2.413 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c3cnccc23)C1 ZINC001008305246 1222748930 /nfs/dbraw/zinc/74/89/30/1222748930.db2.gz RBDOFZCCFDHMSC-CQSZACIVSA-N 1 2 332.835 2.439 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c3cnccc23)C1 ZINC001008305246 1222748932 /nfs/dbraw/zinc/74/89/32/1222748932.db2.gz RBDOFZCCFDHMSC-CQSZACIVSA-N 1 2 332.835 2.439 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001008812687 1223048470 /nfs/dbraw/zinc/04/84/70/1223048470.db2.gz BDKSXJNPEXJMJI-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001008812687 1223048471 /nfs/dbraw/zinc/04/84/71/1223048471.db2.gz BDKSXJNPEXJMJI-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO C[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CCOC1 ZINC001009003127 1223109485 /nfs/dbraw/zinc/10/94/85/1223109485.db2.gz LBLFYYLQXFTSBM-HKUYNNGSSA-N 1 2 327.428 2.065 20 30 EEEDLO C[C@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CCOC1 ZINC001009003127 1223109487 /nfs/dbraw/zinc/10/94/87/1223109487.db2.gz LBLFYYLQXFTSBM-HKUYNNGSSA-N 1 2 327.428 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001009375654 1223225773 /nfs/dbraw/zinc/22/57/73/1223225773.db2.gz HIRTUNHCNVAXPI-HNNXBMFYSA-N 1 2 332.835 2.439 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001009375654 1223225774 /nfs/dbraw/zinc/22/57/74/1223225774.db2.gz HIRTUNHCNVAXPI-HNNXBMFYSA-N 1 2 332.835 2.439 20 30 EEEDLO C#CCO[C@H](C)C(=O)NCCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095921867 1223252190 /nfs/dbraw/zinc/25/21/90/1223252190.db2.gz RSABXVLFYDMUPM-OAHLLOKOSA-N 1 2 344.459 2.033 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccccc3O)C2)c(F)c1 ZINC001010272000 1223636659 /nfs/dbraw/zinc/63/66/59/1223636659.db2.gz PYGRVPSFNNITPI-HNNXBMFYSA-N 1 2 339.370 2.407 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccccc3O)C2)c(F)c1 ZINC001010272000 1223636660 /nfs/dbraw/zinc/63/66/60/1223636660.db2.gz PYGRVPSFNNITPI-HNNXBMFYSA-N 1 2 339.370 2.407 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001010348926 1223674704 /nfs/dbraw/zinc/67/47/04/1223674704.db2.gz YXCLJZMPRMXHLR-MRXNPFEDSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001010348926 1223674706 /nfs/dbraw/zinc/67/47/06/1223674706.db2.gz YXCLJZMPRMXHLR-MRXNPFEDSA-N 1 2 343.814 2.492 20 30 EEEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)c[nH]1 ZINC001010689794 1223852081 /nfs/dbraw/zinc/85/20/81/1223852081.db2.gz LWDULLDSIPUSKA-ZDUSSCGKSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(F)c3F)C2)c[nH]1 ZINC001010689794 1223852084 /nfs/dbraw/zinc/85/20/84/1223852084.db2.gz LWDULLDSIPUSKA-ZDUSSCGKSA-N 1 2 330.338 2.169 20 30 EEEDLO Cc1cnccc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010871847 1223950240 /nfs/dbraw/zinc/95/02/40/1223950240.db2.gz WQMMWAFJMPJVOQ-SFHVURJKSA-N 1 2 337.398 2.385 20 30 EEEDLO Cc1cnccc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010871847 1223950244 /nfs/dbraw/zinc/95/02/44/1223950244.db2.gz WQMMWAFJMPJVOQ-SFHVURJKSA-N 1 2 337.398 2.385 20 30 EEEDLO Cc1c[nH]cc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001016243388 1226245101 /nfs/dbraw/zinc/24/51/01/1226245101.db2.gz LVAPXZDFUCUJJU-KRWDZBQOSA-N 1 2 325.387 2.318 20 30 EEEDLO Cc1c[nH]cc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001016243388 1226245108 /nfs/dbraw/zinc/24/51/08/1226245108.db2.gz LVAPXZDFUCUJJU-KRWDZBQOSA-N 1 2 325.387 2.318 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CCCOC3)C2)c1 ZINC001016275952 1226287972 /nfs/dbraw/zinc/28/79/72/1226287972.db2.gz IEJPYJIAUKYEPH-DOTOQJQBSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)C[C@@H]3CCCOC3)C2)c1 ZINC001016275952 1226287976 /nfs/dbraw/zinc/28/79/76/1226287976.db2.gz IEJPYJIAUKYEPH-DOTOQJQBSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CCCOC3)C2)c(F)c1 ZINC001016276137 1226289804 /nfs/dbraw/zinc/28/98/04/1226289804.db2.gz JUMNPGAOPRJAJM-WBVHZDCISA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C[C@H]3CCCOC3)C2)c(F)c1 ZINC001016276137 1226289809 /nfs/dbraw/zinc/28/98/09/1226289809.db2.gz JUMNPGAOPRJAJM-WBVHZDCISA-N 1 2 345.418 2.205 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(N(CC)CC)nc2)C1 ZINC001016384103 1226420627 /nfs/dbraw/zinc/42/06/27/1226420627.db2.gz NTYDBRLHFUCNFX-HNNXBMFYSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N(CC)CC)nc2)C1 ZINC001016384103 1226420631 /nfs/dbraw/zinc/42/06/31/1226420631.db2.gz NTYDBRLHFUCNFX-HNNXBMFYSA-N 1 2 336.867 2.484 20 30 EEEDLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)c1C1CC1 ZINC001016404648 1226443899 /nfs/dbraw/zinc/44/38/99/1226443899.db2.gz GQQIRTRACSEBKK-SFHVURJKSA-N 1 2 348.450 2.153 20 30 EEEDLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1C1CC1 ZINC001016404648 1226443904 /nfs/dbraw/zinc/44/39/04/1226443904.db2.gz GQQIRTRACSEBKK-SFHVURJKSA-N 1 2 348.450 2.153 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3c(=O)o2)C1 ZINC001014581516 1226804062 /nfs/dbraw/zinc/80/40/62/1226804062.db2.gz CAGRZFZDQKIUCX-ZDUSSCGKSA-N 1 2 332.787 2.350 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3ccccc3c(=O)o2)C1 ZINC001014581516 1226804064 /nfs/dbraw/zinc/80/40/64/1226804064.db2.gz CAGRZFZDQKIUCX-ZDUSSCGKSA-N 1 2 332.787 2.350 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC23CC[NH+](Cc2cnn(CC)n2)CC3)C1 ZINC001016812502 1226896427 /nfs/dbraw/zinc/89/64/27/1226896427.db2.gz PEYFVVLNRCQCLF-MRXNPFEDSA-N 1 2 343.475 2.125 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H](C[N@@H+](C)Cc3nnc(C)[nH]3)C2)C1 ZINC001017209224 1227233238 /nfs/dbraw/zinc/23/32/38/1227233238.db2.gz ZLHVJBVKYOXBDZ-HNNXBMFYSA-N 1 2 331.464 2.140 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H](C[N@H+](C)Cc3nnc(C)[nH]3)C2)C1 ZINC001017209224 1227233241 /nfs/dbraw/zinc/23/32/41/1227233241.db2.gz ZLHVJBVKYOXBDZ-HNNXBMFYSA-N 1 2 331.464 2.140 20 30 EEEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc(-c2ncc[nH]2)n1 ZINC001017750943 1227698674 /nfs/dbraw/zinc/69/86/74/1227698674.db2.gz ZKWDLLMIYZLZPP-TXEJJXNPSA-N 1 2 329.429 2.008 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc(-c2ncc[nH]2)n1 ZINC001017750943 1227698677 /nfs/dbraw/zinc/69/86/77/1227698677.db2.gz ZKWDLLMIYZLZPP-TXEJJXNPSA-N 1 2 329.429 2.008 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(=O)c2ccccc12 ZINC001017789388 1227736838 /nfs/dbraw/zinc/73/68/38/1227736838.db2.gz OLRLESNBUPYZML-GASCZTMLSA-N 1 2 336.391 2.105 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(=O)c2ccccc12 ZINC001017789388 1227736845 /nfs/dbraw/zinc/73/68/45/1227736845.db2.gz OLRLESNBUPYZML-GASCZTMLSA-N 1 2 336.391 2.105 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001018909163 1228514797 /nfs/dbraw/zinc/51/47/97/1228514797.db2.gz NXRAVMHUPODINW-NSHDSACASA-N 1 2 326.828 2.101 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3csnn3)C2)cc1 ZINC001019224391 1228892473 /nfs/dbraw/zinc/89/24/73/1228892473.db2.gz OSBKSSYXEORJBR-WFASDCNBSA-N 1 2 326.425 2.085 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CCCc2c[nH]nc21 ZINC001038262427 1229709840 /nfs/dbraw/zinc/70/98/40/1229709840.db2.gz NEJSDBZCIWNBQQ-RBUKOAKNSA-N 1 2 348.450 2.072 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CCCc2c[nH]nc21 ZINC001038262427 1229709846 /nfs/dbraw/zinc/70/98/46/1229709846.db2.gz NEJSDBZCIWNBQQ-RBUKOAKNSA-N 1 2 348.450 2.072 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cn3c(n2)CCCC3)c1 ZINC001038313331 1229738679 /nfs/dbraw/zinc/73/86/79/1229738679.db2.gz COWYOYWLXBYOFR-KRWDZBQOSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cn3c(n2)CCCC3)c1 ZINC001038313331 1229738683 /nfs/dbraw/zinc/73/86/83/1229738683.db2.gz COWYOYWLXBYOFR-KRWDZBQOSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CCC2(F)F)cc1F ZINC001038399058 1229790929 /nfs/dbraw/zinc/79/09/29/1229790929.db2.gz SYJJNOLZNUOWTK-ZIAGYGMSSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CCC2(F)F)cc1F ZINC001038399058 1229790934 /nfs/dbraw/zinc/79/09/34/1229790934.db2.gz SYJJNOLZNUOWTK-ZIAGYGMSSA-N 1 2 337.345 2.433 20 30 EEEDLO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)c(=O)[nH]1 ZINC001038740949 1230013519 /nfs/dbraw/zinc/01/35/19/1230013519.db2.gz DLXKLEFVSRUDMJ-GFCCVEGCSA-N 1 2 342.424 2.033 20 30 EEEDLO Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)c(=O)[nH]1 ZINC001038740949 1230013523 /nfs/dbraw/zinc/01/35/23/1230013523.db2.gz DLXKLEFVSRUDMJ-GFCCVEGCSA-N 1 2 342.424 2.033 20 30 EEEDLO CCCn1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)cn1 ZINC001038767040 1230035292 /nfs/dbraw/zinc/03/52/92/1230035292.db2.gz KHECVVDMVQCXEC-GOSISDBHSA-N 1 2 337.427 2.169 20 30 EEEDLO CCCn1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)cn1 ZINC001038767040 1230035298 /nfs/dbraw/zinc/03/52/98/1230035298.db2.gz KHECVVDMVQCXEC-GOSISDBHSA-N 1 2 337.427 2.169 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038809213 1230072129 /nfs/dbraw/zinc/07/21/29/1230072129.db2.gz YAJGZBZSVVJNBK-UFYCRDLUSA-N 1 2 338.451 2.210 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038809213 1230072133 /nfs/dbraw/zinc/07/21/33/1230072133.db2.gz YAJGZBZSVVJNBK-UFYCRDLUSA-N 1 2 338.451 2.210 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cnn3c2CCCC3)cc1 ZINC001038891059 1230138647 /nfs/dbraw/zinc/13/86/47/1230138647.db2.gz NQBAUWMZNJPWMP-QGZVFWFLSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cnn3c2CCCC3)cc1 ZINC001038891059 1230138650 /nfs/dbraw/zinc/13/86/50/1230138650.db2.gz NQBAUWMZNJPWMP-QGZVFWFLSA-N 1 2 349.438 2.095 20 30 EEEDLO CO[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039523534 1230675250 /nfs/dbraw/zinc/67/52/50/1230675250.db2.gz FWKTVYGHQSJFJB-JCGIZDLHSA-N 1 2 327.428 2.158 20 30 EEEDLO CO[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039523534 1230675253 /nfs/dbraw/zinc/67/52/53/1230675253.db2.gz FWKTVYGHQSJFJB-JCGIZDLHSA-N 1 2 327.428 2.158 20 30 EEEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOc1ccccc1F ZINC001039531255 1230679951 /nfs/dbraw/zinc/67/99/51/1230679951.db2.gz KPRJTTUNGOHLCQ-HRCADAONSA-N 1 2 345.418 2.429 20 30 EEEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOc1ccccc1F ZINC001039531255 1230679953 /nfs/dbraw/zinc/67/99/53/1230679953.db2.gz KPRJTTUNGOHLCQ-HRCADAONSA-N 1 2 345.418 2.429 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3C[C@H](F)CC)cn1 ZINC001039979080 1230946730 /nfs/dbraw/zinc/94/67/30/1230946730.db2.gz JTSCVECQFPZONQ-NXHRZFHOSA-N 1 2 329.419 2.490 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C[C@H](F)CC)cn1 ZINC001039979080 1230946732 /nfs/dbraw/zinc/94/67/32/1230946732.db2.gz JTSCVECQFPZONQ-NXHRZFHOSA-N 1 2 329.419 2.490 20 30 EEEDLO CC(C)c1nnc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)o1 ZINC001040120058 1231035281 /nfs/dbraw/zinc/03/52/81/1231035281.db2.gz LQYWWDVQPFVOIH-RDTXWAMCSA-N 1 2 345.447 2.167 20 30 EEEDLO CC(C)c1nnc(C[N@H+]2CCC[C@@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)o1 ZINC001040120058 1231035284 /nfs/dbraw/zinc/03/52/84/1231035284.db2.gz LQYWWDVQPFVOIH-RDTXWAMCSA-N 1 2 345.447 2.167 20 30 EEEDLO Cc1nc(NC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C)cc[nH+]1 ZINC001040409146 1231215032 /nfs/dbraw/zinc/21/50/32/1231215032.db2.gz JLBJWPIRGIXMTN-JSGCOSHPSA-N 1 2 338.415 2.195 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@H+](Cc4nccs4)[C@@H]3C2)c1 ZINC001041999166 1231819054 /nfs/dbraw/zinc/81/90/54/1231819054.db2.gz DQTKUQIGFLLUNB-UKRRQHHQSA-N 1 2 341.440 2.079 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nccs4)[C@@H]3C2)c1 ZINC001041999166 1231819056 /nfs/dbraw/zinc/81/90/56/1231819056.db2.gz DQTKUQIGFLLUNB-UKRRQHHQSA-N 1 2 341.440 2.079 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4ncnn4CC)[C@@H]3C2)C1 ZINC001042224937 1231967013 /nfs/dbraw/zinc/96/70/13/1231967013.db2.gz SVXGCOPCHQEVTG-JKSUJKDBSA-N 1 2 343.475 2.077 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@H+](Cc4ncnn4CC)[C@@H]3C2)C1 ZINC001042224937 1231967016 /nfs/dbraw/zinc/96/70/16/1231967016.db2.gz SVXGCOPCHQEVTG-JKSUJKDBSA-N 1 2 343.475 2.077 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C1C[NH+](Cc2ccc(CO)cc2)C1 ZINC001042931169 1232201105 /nfs/dbraw/zinc/20/11/05/1232201105.db2.gz WABSSKCHQUNXGO-UHFFFAOYSA-N 1 2 339.439 2.123 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C1C[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001042930826 1232201344 /nfs/dbraw/zinc/20/13/44/1232201344.db2.gz OPTIVOGGTAFELV-LJQANCHMSA-N 1 2 339.439 2.164 20 30 EEEDLO CCN(CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccc(C#N)nc1 ZINC001095985643 1233101199 /nfs/dbraw/zinc/10/11/99/1233101199.db2.gz QGPKDXPZTBCLFE-UHFFFAOYSA-N 1 2 348.410 2.476 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000800362500 1234074496 /nfs/dbraw/zinc/07/44/96/1234074496.db2.gz PVRSWHCFYSABPW-MGPQQGTHSA-N 1 2 326.437 2.339 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000800362500 1234074499 /nfs/dbraw/zinc/07/44/99/1234074499.db2.gz PVRSWHCFYSABPW-MGPQQGTHSA-N 1 2 326.437 2.339 20 30 EEEDLO N#CCN1CC[C@@]2(C1)CCCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001045947637 1234211165 /nfs/dbraw/zinc/21/11/65/1234211165.db2.gz OIJOFARBWWFLHY-LJQANCHMSA-N 1 2 337.427 2.405 20 30 EEEDLO Cc1c(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cnn1CCC#N ZINC000900340802 1234239346 /nfs/dbraw/zinc/23/93/46/1234239346.db2.gz VHVYCPIJAOWVBP-HNNXBMFYSA-N 1 2 328.420 2.146 20 30 EEEDLO C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001046253380 1234596913 /nfs/dbraw/zinc/59/69/13/1234596913.db2.gz XHHZGNHXJVZBHQ-KRWDZBQOSA-N 1 2 343.818 2.329 20 30 EEEDLO C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001046253380 1234596914 /nfs/dbraw/zinc/59/69/14/1234596914.db2.gz XHHZGNHXJVZBHQ-KRWDZBQOSA-N 1 2 343.818 2.329 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001067711716 1249413546 /nfs/dbraw/zinc/41/35/46/1249413546.db2.gz AEVPDINPIXGOOH-BZUAXINKSA-N 1 2 346.475 2.422 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001067711716 1249413554 /nfs/dbraw/zinc/41/35/54/1249413554.db2.gz AEVPDINPIXGOOH-BZUAXINKSA-N 1 2 346.475 2.422 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001046845845 1235243610 /nfs/dbraw/zinc/24/36/10/1235243610.db2.gz OFVFBQGTSZSWMF-GOSISDBHSA-N 1 2 349.862 2.269 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001046845845 1235243612 /nfs/dbraw/zinc/24/36/12/1235243612.db2.gz OFVFBQGTSZSWMF-GOSISDBHSA-N 1 2 349.862 2.269 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096157991 1235539473 /nfs/dbraw/zinc/53/94/73/1235539473.db2.gz LQZMGWAQDYELFP-QGZVFWFLSA-N 1 2 346.475 2.470 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2csnn2)C3)C1 ZINC001047144372 1235579424 /nfs/dbraw/zinc/57/94/24/1235579424.db2.gz ZIAUIZKUICOFAF-GUTXKFCHSA-N 1 2 332.473 2.364 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2csnn2)C3)C1 ZINC001047144372 1235579430 /nfs/dbraw/zinc/57/94/30/1235579430.db2.gz ZIAUIZKUICOFAF-GUTXKFCHSA-N 1 2 332.473 2.364 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2nc(CC(C)C)no2)[C@@H](C)C1 ZINC001054976085 1249500622 /nfs/dbraw/zinc/50/06/22/1249500622.db2.gz ITUPNBWBMICCQZ-KBPBESRZSA-N 1 2 334.464 2.417 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001054975934 1249501083 /nfs/dbraw/zinc/50/10/83/1249501083.db2.gz HCLDBSWYLRLTFP-GXTWGEPZSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001047563291 1236207572 /nfs/dbraw/zinc/20/75/72/1236207572.db2.gz XQBQTAFZUZAELQ-HZMVEIRTSA-N 1 2 344.459 2.463 20 30 EEEDLO CN(C(=O)C(C)(C)C)[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001047606463 1236273823 /nfs/dbraw/zinc/27/38/23/1236273823.db2.gz HGPJLDJSSHTTND-IRXDYDNUSA-N 1 2 348.874 2.241 20 30 EEEDLO CN(C(=O)C(C)(C)C)[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC001047606463 1236273833 /nfs/dbraw/zinc/27/38/33/1236273833.db2.gz HGPJLDJSSHTTND-IRXDYDNUSA-N 1 2 348.874 2.241 20 30 EEEDLO CCC(CC)CC(=O)NCC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC001096287628 1237118120 /nfs/dbraw/zinc/11/81/20/1237118120.db2.gz YHQBQSPSJCWVSL-UHFFFAOYSA-N 1 2 343.475 2.018 20 30 EEEDLO Cc1ccc(C#N)c(N2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)n1 ZINC001056075160 1238682689 /nfs/dbraw/zinc/68/26/89/1238682689.db2.gz DDJDNXNJQLPAGY-UHFFFAOYSA-N 1 2 346.394 2.100 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056573947 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C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(Cl)cc(OC)c1 ZINC001051178775 1245091467 /nfs/dbraw/zinc/09/14/67/1245091467.db2.gz KIGDZRGUOCUSNB-OAHLLOKOSA-N 1 2 338.835 2.355 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(Cl)cc(OC)c1 ZINC001051178775 1245091474 /nfs/dbraw/zinc/09/14/74/1245091474.db2.gz KIGDZRGUOCUSNB-OAHLLOKOSA-N 1 2 338.835 2.355 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnn(CC2CCCC2)c1 ZINC001051182158 1245096747 /nfs/dbraw/zinc/09/67/47/1245096747.db2.gz BGCBXVUMFPIDAG-SFHVURJKSA-N 1 2 346.475 2.080 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnn(CC2CCCC2)c1 ZINC001051182158 1245096760 /nfs/dbraw/zinc/09/67/60/1245096760.db2.gz BGCBXVUMFPIDAG-SFHVURJKSA-N 1 2 346.475 2.080 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(Br)o1 ZINC001051218850 1245404936 /nfs/dbraw/zinc/40/49/36/1245404936.db2.gz JWBYQVSYCJOAIF-LLVKDONJSA-N 1 2 343.221 2.049 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(Br)o1 ZINC001051218850 1245404939 /nfs/dbraw/zinc/40/49/39/1245404939.db2.gz JWBYQVSYCJOAIF-LLVKDONJSA-N 1 2 343.221 2.049 20 30 EEEDLO C=CCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001051248863 1245438552 /nfs/dbraw/zinc/43/85/52/1245438552.db2.gz GCCMETIHHLPDEJ-KGLIPLIRSA-N 1 2 332.448 2.007 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001051323888 1245546395 /nfs/dbraw/zinc/54/63/95/1245546395.db2.gz WVMZEIFEMCSXAT-CVEARBPZSA-N 1 2 346.475 2.229 20 30 EEEDLO CC#CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C)s3)C[C@@]2(C)C1 ZINC001101333298 1245674407 /nfs/dbraw/zinc/67/44/07/1245674407.db2.gz OSTGMYSVVFKVAC-QAPCUYQASA-N 1 2 346.500 2.320 20 30 EEEDLO CC#CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C)s3)C[C@@]2(C)C1 ZINC001101333298 1245674416 /nfs/dbraw/zinc/67/44/16/1245674416.db2.gz OSTGMYSVVFKVAC-QAPCUYQASA-N 1 2 346.500 2.320 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H](C)[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053132509 1245961468 /nfs/dbraw/zinc/96/14/68/1245961468.db2.gz MXVIAVVXQZXRIU-GJZGRUSLSA-N 1 2 346.475 2.155 20 30 EEEDLO Cc1ccccc1[C@@H](C)[NH+]1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 ZINC001053190859 1246030406 /nfs/dbraw/zinc/03/04/06/1246030406.db2.gz HDOPFUDLMCPPMG-JKSUJKDBSA-N 1 2 327.428 2.129 20 30 EEEDLO C=CCCC1(C(=O)N(C)CCCN(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001068029192 1250225683 /nfs/dbraw/zinc/22/56/83/1250225683.db2.gz MUOWSXFNRKIHSU-UHFFFAOYSA-N 1 2 332.448 2.006 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc[nH]c1C1CCC1)CCO2 ZINC001053428369 1246322190 /nfs/dbraw/zinc/32/21/90/1246322190.db2.gz NSXRXACFDYHIPN-UHFFFAOYSA-N 1 2 329.444 2.385 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C=C3CCCCC3)C2)CC1 ZINC001051991672 1246351945 /nfs/dbraw/zinc/35/19/45/1246351945.db2.gz KQNHTEMNHXVMQJ-IBGZPJMESA-N 1 2 329.488 2.119 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)C2)CC1 ZINC001052031881 1246396005 /nfs/dbraw/zinc/39/60/05/1246396005.db2.gz ZUKMWNRDXXHXEZ-UXHICEINSA-N 1 2 343.515 2.365 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC=CCCC3)C2)CC1 ZINC001052040629 1246410109 /nfs/dbraw/zinc/41/01/09/1246410109.db2.gz ISUSYWFBXHFPNG-UXHICEINSA-N 1 2 343.515 2.365 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C)cc(Cl)c3)C2)CC1 ZINC001052052769 1246424283 /nfs/dbraw/zinc/42/42/83/1246424283.db2.gz XCQSNTYLXSMZRL-GOSISDBHSA-N 1 2 345.874 2.114 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)Cc1ccccc1)CCO2 ZINC001053539591 1246450706 /nfs/dbraw/zinc/45/07/06/1246450706.db2.gz VUXYDGIRNORHOC-KRWDZBQOSA-N 1 2 328.456 2.355 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1Cc3c1cccc3Cl)CCO2 ZINC001053547373 1246459167 /nfs/dbraw/zinc/45/91/67/1246459167.db2.gz REGCKZOUJNABRZ-MRXNPFEDSA-N 1 2 346.858 2.469 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@]1(C)CCc3ccccc31)CCO2 ZINC001053547471 1246459906 /nfs/dbraw/zinc/45/99/06/1246459906.db2.gz VMKYIZXFYMIGFU-FQEVSTJZSA-N 1 2 340.467 2.380 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(CF)cc3)C2)CC1 ZINC001052122023 1246507686 /nfs/dbraw/zinc/50/76/86/1246507686.db2.gz KWMJYEAHTVKDNF-IBGZPJMESA-N 1 2 343.446 2.012 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCC(C)(C)C3)C2)CC1 ZINC001052123469 1246509665 /nfs/dbraw/zinc/50/96/65/1246509665.db2.gz JFEQBFMWUGMMRN-RBUKOAKNSA-N 1 2 345.531 2.445 20 30 EEEDLO CC1=C(C)C[C@](C)(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)CC1 ZINC001052123730 1246511270 /nfs/dbraw/zinc/51/12/70/1246511270.db2.gz OISNQERYPNTRIR-AZUAARDMSA-N 1 2 344.503 2.255 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccoc1C(F)(F)F)O2 ZINC001053605358 1246520184 /nfs/dbraw/zinc/52/01/84/1246520184.db2.gz DSTKDCBTAGRWNX-NSHDSACASA-N 1 2 344.333 2.448 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3cc(C)cn3c1)O2 ZINC001053609410 1246528600 /nfs/dbraw/zinc/52/86/00/1246528600.db2.gz WKBFDNMDYFGDCF-SFHVURJKSA-N 1 2 339.439 2.397 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc(CC3CC3)s1)O2 ZINC001053628940 1246557926 /nfs/dbraw/zinc/55/79/26/1246557926.db2.gz BJNMKKVPUDATKY-AWEZNQCLSA-N 1 2 347.484 2.245 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(F)cc(F)cc1F)O2 ZINC001053656620 1246599670 /nfs/dbraw/zinc/59/96/70/1246599670.db2.gz YBQXUPAFKFTYCN-LBPRGKRZSA-N 1 2 340.345 2.253 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCOc3ccccc31)O2 ZINC001053675763 1246628563 /nfs/dbraw/zinc/62/85/63/1246628563.db2.gz RTDZCBKDKSTMLW-DOTOQJQBSA-N 1 2 342.439 2.088 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc3c([nH]1)CCC3)O2 ZINC001053686479 1246647204 /nfs/dbraw/zinc/64/72/04/1246647204.db2.gz QSIZLNTTZQYQGF-OAHLLOKOSA-N 1 2 329.444 2.043 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1coc(C3CCC3)n1)O2 ZINC001053688005 1246652170 /nfs/dbraw/zinc/65/21/70/1246652170.db2.gz HTQHSORZYDXQLN-CQSZACIVSA-N 1 2 331.416 2.091 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3ccncc3s1)CO2 ZINC001053829718 1246860667 /nfs/dbraw/zinc/86/06/67/1246860667.db2.gz IBVIKSSWOZBUCS-CQSZACIVSA-N 1 2 343.452 2.446 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccc(C)c(Cl)c1)CO2 ZINC001053844273 1246895968 /nfs/dbraw/zinc/89/59/68/1246895968.db2.gz FLKSOSFOYSFJLV-INIZCTEOSA-N 1 2 346.858 2.174 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccsc1COC)CO2 ZINC001053847335 1246902390 /nfs/dbraw/zinc/90/23/90/1246902390.db2.gz DKJVRDXLJGEJBS-ZDUSSCGKSA-N 1 2 336.457 2.044 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)ccc1OC)CO2 ZINC001053864813 1246932996 /nfs/dbraw/zinc/93/29/96/1246932996.db2.gz KGZMZUJJZVHIMV-OAHLLOKOSA-N 1 2 330.428 2.153 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2COC3(C[NH+](C[C@@H]4CC(C)(C)CO4)C3)C2)C1 ZINC001053919622 1247014506 /nfs/dbraw/zinc/01/45/06/1247014506.db2.gz PPXFIUJZIMMJTI-HOTGVXAUSA-N 1 2 348.487 2.117 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn([C@H](C)CC)c1C)CO2 ZINC001053977204 1247096654 /nfs/dbraw/zinc/09/66/54/1247096654.db2.gz PDQDNFUPQVUKBE-ZBFHGGJFSA-N 1 2 346.475 2.312 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3ccccc3c1)CO2 ZINC001053990721 1247117696 /nfs/dbraw/zinc/11/76/96/1247117696.db2.gz HICYOSCZOARYQY-IBGZPJMESA-N 1 2 334.419 2.436 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC001054037498 1247192337 /nfs/dbraw/zinc/19/23/37/1247192337.db2.gz HOVCCVLMNDYTEE-RTBURBONSA-N 1 2 326.440 2.122 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC001054037498 1247192339 /nfs/dbraw/zinc/19/23/39/1247192339.db2.gz HOVCCVLMNDYTEE-RTBURBONSA-N 1 2 326.440 2.122 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(CC)[nH]c(=O)c1 ZINC001054047624 1247228445 /nfs/dbraw/zinc/22/84/45/1247228445.db2.gz IMDFLLWQKOPRNX-LJQANCHMSA-N 1 2 349.434 2.140 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(CC)[nH]c(=O)c1 ZINC001054047624 1247228458 /nfs/dbraw/zinc/22/84/58/1247228458.db2.gz IMDFLLWQKOPRNX-LJQANCHMSA-N 1 2 349.434 2.140 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1csc(C)n1 ZINC001054049932 1247236179 /nfs/dbraw/zinc/23/61/79/1247236179.db2.gz NUPXOHAFOCPYQF-MRXNPFEDSA-N 1 2 325.437 2.241 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1csc(C)n1 ZINC001054049932 1247236185 /nfs/dbraw/zinc/23/61/85/1247236185.db2.gz NUPXOHAFOCPYQF-MRXNPFEDSA-N 1 2 325.437 2.241 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ncccc1OCC ZINC001054061052 1247275982 /nfs/dbraw/zinc/27/59/82/1247275982.db2.gz IKXQIQABQZAXOE-SFHVURJKSA-N 1 2 349.434 2.270 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ncccc1OCC ZINC001054061052 1247275997 /nfs/dbraw/zinc/27/59/97/1247275997.db2.gz IKXQIQABQZAXOE-SFHVURJKSA-N 1 2 349.434 2.270 20 30 EEEDLO C[C@@H](CC(=O)N1CCC[C@@H](Nc2ncccc2C#N)C1)n1cc[nH+]c1 ZINC001057763801 1247292403 /nfs/dbraw/zinc/29/24/03/1247292403.db2.gz GLJOJAZPTHXMGU-GOEBONIOSA-N 1 2 338.415 2.204 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[C@]2(CC[N@H+](Cc3ncc(Cl)n3C)C2)C1 ZINC001054101676 1247408014 /nfs/dbraw/zinc/40/80/14/1247408014.db2.gz CDXXHOBNGPNNBD-SUMWQHHRSA-N 1 2 349.866 2.048 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3ncc(Cl)n3C)C2)C1 ZINC001054101676 1247408021 /nfs/dbraw/zinc/40/80/21/1247408021.db2.gz CDXXHOBNGPNNBD-SUMWQHHRSA-N 1 2 349.866 2.048 20 30 EEEDLO 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/nfs/dbraw/zinc/46/68/09/1251466809.db2.gz CRYDLVFAIOWLQU-CYBMUJFWSA-N 1 2 341.459 2.251 20 30 EEEDLO C=CCCC(=O)N1CCC(CC)(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001069238899 1252541292 /nfs/dbraw/zinc/54/12/92/1252541292.db2.gz RYBKFGKEMJOIAH-UHFFFAOYSA-N 1 2 346.475 2.206 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001069755642 1253225388 /nfs/dbraw/zinc/22/53/88/1253225388.db2.gz GXYGLEKBKIFKQY-LJQANCHMSA-N 1 2 344.459 2.081 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2cncnc2)C[N@@H+]1Cc1ccccc1C#N ZINC001071447415 1254199193 /nfs/dbraw/zinc/19/91/93/1254199193.db2.gz MPXJPNLAOBPAPG-KBXCAEBGSA-N 1 2 335.411 2.131 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2cncnc2)C[N@H+]1Cc1ccccc1C#N ZINC001071447415 1254199194 /nfs/dbraw/zinc/19/91/94/1254199194.db2.gz MPXJPNLAOBPAPG-KBXCAEBGSA-N 1 2 335.411 2.131 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2scnc2C(F)(F)F)CC[C@H]1C ZINC001071581014 1254371709 /nfs/dbraw/zinc/37/17/09/1254371709.db2.gz YOZQBNFKBSHMHJ-ZJUUUORDSA-N 1 2 331.363 2.378 20 30 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1299769976 /nfs/dbraw/zinc/76/99/76/1299769976.db2.gz RBLFXNZDPMQGSC-OLZOCXBDSA-N 1 2 333.436 2.242 20 30 EEEDLO CCc1nnc(C[NH+]2CCC(CNC(=O)C#CC(C)(C)C)CC2)s1 ZINC001223142121 1299989845 /nfs/dbraw/zinc/98/98/45/1299989845.db2.gz FGVKDWGRXNBIBE-UHFFFAOYSA-N 1 2 348.516 2.478 20 30 EEEDLO C#CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2nn(C)cc2Cl)C[C@H]1C ZINC001101920767 1300025434 /nfs/dbraw/zinc/02/54/34/1300025434.db2.gz JLJFTDWXJGKBSG-ZIAGYGMSSA-N 1 2 336.867 2.061 20 30 EEEDLO C#CCCCC(=O)NC[C@@H]1C[N@H+](Cc2nn(C)cc2Cl)C[C@H]1C ZINC001101920767 1300025448 /nfs/dbraw/zinc/02/54/48/1300025448.db2.gz JLJFTDWXJGKBSG-ZIAGYGMSSA-N 1 2 336.867 2.061 20 30 EEEDLO C=C(C)CCC(=O)NCC1CC[NH+](CC(=O)Nc2cc(C)on2)CC1 ZINC001223353176 1300097617 /nfs/dbraw/zinc/09/76/17/1300097617.db2.gz LMGWQRLJNJGGFT-UHFFFAOYSA-N 1 2 348.447 2.106 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1C ZINC001102011707 1300138638 /nfs/dbraw/zinc/13/86/38/1300138638.db2.gz NAGSGZNSRYVMJP-UKRRQHHQSA-N 1 2 331.464 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1301129484 /nfs/dbraw/zinc/12/94/84/1301129484.db2.gz APHGSNFUBQWSKA-UHFFFAOYSA-N 1 2 345.491 2.280 20 30 EEEDLO C=CCCC(=O)NC1CC[NH+](Cc2nncn2-c2ccccc2)CC1 ZINC001226528005 1301449442 /nfs/dbraw/zinc/44/94/42/1301449442.db2.gz RNKBOMMVASIGST-UHFFFAOYSA-N 1 2 339.443 2.314 20 30 EEEDLO C=CCOCC(=O)NC1CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC001226571361 1301465803 /nfs/dbraw/zinc/46/58/03/1301465803.db2.gz SUCLXJCMQUZGEQ-UHFFFAOYSA-N 1 2 335.448 2.255 20 30 EEEDLO C[C@@H](C#N)C(=O)NC1CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC001226640265 1301490487 /nfs/dbraw/zinc/49/04/87/1301490487.db2.gz LJSRLFVABPKIST-HNNXBMFYSA-N 1 2 337.427 2.113 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N(C)[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102744686 1301537865 /nfs/dbraw/zinc/53/78/65/1301537865.db2.gz OMWWWILBRYYXOG-MAUKXSAKSA-N 1 2 332.448 2.051 20 30 EEEDLO CCN(C(=O)[C@@H](C)C#N)[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102787484 1301616739 /nfs/dbraw/zinc/61/67/39/1301616739.db2.gz XCBURAKOMBGIAU-SWLSCSKDSA-N 1 2 327.432 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EEEDLO C=C[C@H](O)CNc1ccc[nH+]c1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001253574818 1317885231 /nfs/dbraw/zinc/88/52/31/1317885231.db2.gz TXLKDTKUIGONFC-KGLIPLIRSA-N 1 2 348.447 2.144 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@H]2OCC[N@H+]([C@@H]3CC[C@@H](C#N)C3)[C@H]2C1 ZINC001254660186 1318158378 /nfs/dbraw/zinc/15/83/78/1318158378.db2.gz WFZODHNYCLCHAQ-LVQVYYBASA-N 1 2 335.448 2.389 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@H]2OCC[N@@H+]([C@@H]3CC[C@@H](C#N)C3)[C@H]2C1 ZINC001254660186 1318158383 /nfs/dbraw/zinc/15/83/83/1318158383.db2.gz WFZODHNYCLCHAQ-LVQVYYBASA-N 1 2 335.448 2.389 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2OCC[N@H+]([C@H]3CC[C@@H](C#N)C3)[C@H]2C1 ZINC001254660188 1318158708 /nfs/dbraw/zinc/15/87/08/1318158708.db2.gz WFZODHNYCLCHAQ-UGUYLWEFSA-N 1 2 335.448 2.389 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2OCC[N@@H+]([C@H]3CC[C@@H](C#N)C3)[C@H]2C1 ZINC001254660188 1318158714 /nfs/dbraw/zinc/15/87/14/1318158714.db2.gz WFZODHNYCLCHAQ-UGUYLWEFSA-N 1 2 335.448 2.389 20 30 EEEDLO COc1cc(N2CCN(c3ccc4[nH]c(C#N)cc4n3)CC2)cc[nH+]1 ZINC001158098661 1319011380 /nfs/dbraw/zinc/01/13/80/1319011380.db2.gz RKGYEHPJQIBVMC-UHFFFAOYSA-N 1 2 334.383 2.165 20 30 EEEDLO COC(=O)c1cnc2c(c1)CN(c1[nH+]ccc3[nH]cc(C#N)c31)CC2 ZINC001158992100 1319547857 /nfs/dbraw/zinc/54/78/57/1319547857.db2.gz ZEZRRAFYHUYQMI-UHFFFAOYSA-N 1 2 333.351 2.179 20 30 EEEDLO CCOC(=O)n1nc2c(c1Nc1nccc(F)c1C#N)C[NH2+]C2(C)C ZINC001159660095 1319938465 /nfs/dbraw/zinc/93/84/65/1319938465.db2.gz XKGFTJAWUVICEJ-UHFFFAOYSA-N 1 2 344.350 2.375 20 30 EEEDLO C#CCCCC(=O)NCCC1=CC[N@H+](Cc2nccc(C)n2)CC1 ZINC001159957545 1320032593 /nfs/dbraw/zinc/03/25/93/1320032593.db2.gz HJTNVKCMLKWVSZ-UHFFFAOYSA-N 1 2 326.444 2.227 20 30 EEEDLO C#CCCCC(=O)NCCC1=CC[N@@H+](Cc2nccc(C)n2)CC1 ZINC001159957545 1320032601 /nfs/dbraw/zinc/03/26/01/1320032601.db2.gz HJTNVKCMLKWVSZ-UHFFFAOYSA-N 1 2 326.444 2.227 20 30 EEEDLO C#CCCCC(=O)NCCC1=CC[N@H+](Cc2ncc(C)cn2)CC1 ZINC001159957738 1320033315 /nfs/dbraw/zinc/03/33/15/1320033315.db2.gz 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1321015911 /nfs/dbraw/zinc/01/59/11/1321015911.db2.gz XFNPHAOPTQAMDZ-UHFFFAOYSA-N 1 2 349.425 2.099 20 30 EEEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1nc(Cl)c2cccc(F)c2n1 ZINC001164642799 1321440059 /nfs/dbraw/zinc/44/00/59/1321440059.db2.gz YVQHIYHUACWHAR-MRVPVSSYSA-N 1 2 341.724 2.269 20 30 EEEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc(O)c(O)c1)CC2 ZINC001203877068 1321980455 /nfs/dbraw/zinc/98/04/55/1321980455.db2.gz LVJNYKCBIQDDSB-UHFFFAOYSA-N 1 2 329.400 2.092 20 30 EEEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc(O)c(O)c1)CC2 ZINC001203877068 1321980458 /nfs/dbraw/zinc/98/04/58/1321980458.db2.gz LVJNYKCBIQDDSB-UHFFFAOYSA-N 1 2 329.400 2.092 20 30 EEEDLO C=CCOC[C@H]1C[N@H+](Cc2ccc[nH]2)Cc2nnn(CC3CC3)c21 ZINC001204007306 1322013817 /nfs/dbraw/zinc/01/38/17/1322013817.db2.gz WAWSSWRWWRMLMP-OAHLLOKOSA-N 1 2 327.432 2.318 20 30 EEEDLO C=CCOC[C@H]1C[N@@H+](Cc2ccc[nH]2)Cc2nnn(CC3CC3)c21 ZINC001204007306 1322013825 /nfs/dbraw/zinc/01/38/25/1322013825.db2.gz WAWSSWRWWRMLMP-OAHLLOKOSA-N 1 2 327.432 2.318 20 30 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343.899 2.116 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CC(C)(C)C)C1 ZINC001210218449 1325203427 /nfs/dbraw/zinc/20/34/27/1325203427.db2.gz AVFWPPKOLCAKTM-KWCYVHTRSA-N 1 2 343.899 2.116 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H]([NH2+]Cc3nc(CCC)no3)C2)CCC1 ZINC001317306392 1332172412 /nfs/dbraw/zinc/17/24/12/1332172412.db2.gz XOTVUPDTQCYOPB-AWEZNQCLSA-N 1 2 332.448 2.459 20 30 EEEDLO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2scnc2C(C)C)C1 ZINC001317948178 1332449309 /nfs/dbraw/zinc/44/93/09/1332449309.db2.gz WMOGPWLFYIQRPH-CQSZACIVSA-N 1 2 335.473 2.111 20 30 EEEDLO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2scnc2C(C)C)C1 ZINC001317948178 1332449311 /nfs/dbraw/zinc/44/93/11/1332449311.db2.gz WMOGPWLFYIQRPH-CQSZACIVSA-N 1 2 335.473 2.111 20 30 EEEDLO C[C@H]([C@H](C)Nc1nc(Br)ccc1C#N)[NH+]1CCOCC1 ZINC001337027669 1336633091 /nfs/dbraw/zinc/63/30/91/1336633091.db2.gz XFZANGNXYXWJGI-WDEREUQCSA-N 1 2 339.237 2.237 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@H](c2ccco2)C1 ZINC001339090717 1336957366 /nfs/dbraw/zinc/95/73/66/1336957366.db2.gz DPAQLLNVNVHXFT-AWEZNQCLSA-N 1 2 338.415 2.375 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCn2cccc2C1 ZINC001339541719 1337024724 /nfs/dbraw/zinc/02/47/24/1337024724.db2.gz HCRMYHRXXPTYFZ-INIZCTEOSA-N 1 2 326.448 2.443 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCn2cccc2C1 ZINC001339541719 1337024728 /nfs/dbraw/zinc/02/47/28/1337024728.db2.gz HCRMYHRXXPTYFZ-INIZCTEOSA-N 1 2 326.448 2.443 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)c3ccsc3)n2CC=C)CC1 ZINC001339939115 1337100224 /nfs/dbraw/zinc/10/02/24/1337100224.db2.gz YIXQZTDWUBOYPO-OAHLLOKOSA-N 1 2 341.484 2.433 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@@H]1CC ZINC001340342062 1337163656 /nfs/dbraw/zinc/16/36/56/1337163656.db2.gz DWHWVFSXSJASMS-INIZCTEOSA-N 1 2 333.480 2.047 20 30 EEEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CCCCOC ZINC001342684727 1337319399 /nfs/dbraw/zinc/31/93/99/1337319399.db2.gz CFDKHVAQXGVCCV-UHFFFAOYSA-N 1 2 348.495 2.254 20 30 EEEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@@H](C)C1 ZINC001343007946 1337326366 /nfs/dbraw/zinc/32/63/66/1337326366.db2.gz XWDOYEDOWBIIMG-HZPDHXFCSA-N 1 2 333.480 2.482 20 30 EEEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@@H](C)C1 ZINC001343007946 1337326368 /nfs/dbraw/zinc/32/63/68/1337326368.db2.gz XWDOYEDOWBIIMG-HZPDHXFCSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCN(C)c1nnc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC(=C)C ZINC001343947206 1337358696 /nfs/dbraw/zinc/35/86/96/1337358696.db2.gz JESXQFWUTZJFAB-CVEARBPZSA-N 1 2 331.464 2.402 20 30 EEEDLO C=CCN(C)c1nnc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC(=C)C ZINC001343947206 1337358699 /nfs/dbraw/zinc/35/86/99/1337358699.db2.gz JESXQFWUTZJFAB-CVEARBPZSA-N 1 2 331.464 2.402 20 30 EEEDLO C=CCN(c1nnc(C[NH+]2CCCCC2)n1C[C@@H]1CCOC1)C1CC1 ZINC001344127913 1337366389 /nfs/dbraw/zinc/36/63/89/1337366389.db2.gz QPQFOSVFVLXUFY-INIZCTEOSA-N 1 2 345.491 2.455 20 30 EEEDLO C=C(C)CN(CC)c1nnc([C@@H]2CCC[N@@H+]2C)n1C[C@@H]1CCOC1 ZINC001345415135 1337444618 /nfs/dbraw/zinc/44/46/18/1337444618.db2.gz UXWKZKPBAQPIKF-HOTGVXAUSA-N 1 2 333.480 2.484 20 30 EEEDLO C=C(C)CN(CC)c1nnc([C@@H]2CCC[N@H+]2C)n1C[C@@H]1CCOC1 ZINC001345415135 1337444622 /nfs/dbraw/zinc/44/46/22/1337444622.db2.gz UXWKZKPBAQPIKF-HOTGVXAUSA-N 1 2 333.480 2.484 20 30 EEEDLO Clc1nc2ccccn2c1C=NOCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001348574472 1337560833 /nfs/dbraw/zinc/56/08/33/1337560833.db2.gz REWCUCZUOYNSLX-BETUJISGSA-N 1 2 334.807 2.201 20 30 EEEDLO Clc1nc2ccccn2c1C=NOCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001348574472 1337560834 /nfs/dbraw/zinc/56/08/34/1337560834.db2.gz REWCUCZUOYNSLX-BETUJISGSA-N 1 2 334.807 2.201 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)COC(C)(C)C)n2CC)CC1 ZINC001352967242 1338134531 /nfs/dbraw/zinc/13/45/31/1338134531.db2.gz RIHBEBCTWHKNBP-UHFFFAOYSA-N 1 2 347.507 2.146 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@H](CNC(=O)[C@@H](C)C#N)CC(C)C)c(C)[nH+]1 ZINC001433026115 1341470227 /nfs/dbraw/zinc/47/02/27/1341470227.db2.gz TYIDXNRNBOYBJL-BBRMVZONSA-N 1 2 344.459 2.427 20 30 EEEDLO C[C@H]1CCCC[C@@H]1OCC[NH+]1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001434856353 1341969790 /nfs/dbraw/zinc/96/97/90/1341969790.db2.gz FMWUYHWRVCVQMS-YJBOKZPZSA-N 1 2 344.459 2.239 20 30 EEEDLO C[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC001589966136 1349084738 /nfs/dbraw/zinc/08/47/38/1349084738.db2.gz XRIWUQKIVADCNI-LLVKDONJSA-N 1 2 349.354 2.497 20 30 EEEDLO C[C@H]([NH2+]Cc1nc(-c2nn[nH]n2)cs1)c1ccc(OCC#N)cc1 ZINC001589973257 1349087126 /nfs/dbraw/zinc/08/71/26/1349087126.db2.gz XQRVXYFHULGHET-JTQLQIEISA-N 1 2 341.400 2.076 20 30 EEEDLO Cn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1C(C)(C)CC#N ZINC001647680010 1353375906 /nfs/dbraw/zinc/37/59/06/1353375906.db2.gz UNLMGGBESNYSME-UHFFFAOYSA-N 1 2 339.447 2.482 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N[C@@H](C)CC)C2)CC1 ZINC001660842159 1354549022 /nfs/dbraw/zinc/54/90/22/1354549022.db2.gz PFMVGMZTFDPGEH-RDJZCZTQSA-N 1 2 335.492 2.228 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](CC(=O)N[C@@H](C)CC)C2)CC1 ZINC001660842159 1354549026 /nfs/dbraw/zinc/54/90/26/1354549026.db2.gz PFMVGMZTFDPGEH-RDJZCZTQSA-N 1 2 335.492 2.228 20 30 EEEDLO C=CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001187326737 1368236827 /nfs/dbraw/zinc/23/68/27/1368236827.db2.gz QQQDNCWNCNBURR-LSDHHAIUSA-N 1 2 333.432 2.033 20 30 EEEDLO C=CCOCC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C(C)C)o3)C[C@H]21 ZINC001187326737 1368236832 /nfs/dbraw/zinc/23/68/32/1368236832.db2.gz QQQDNCWNCNBURR-LSDHHAIUSA-N 1 2 333.432 2.033 20 30 EEEDLO N#Cc1ccc(C(=O)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)o1 ZINC001192677008 1368423057 /nfs/dbraw/zinc/42/30/57/1368423057.db2.gz XDMVXTLAPHHUFS-AWEZNQCLSA-N 1 2 340.383 2.047 20 30 EEEDLO C#CCN1CC2(CCC1=O)CC[NH+](CC(=O)c1cccs1)CC2 ZINC001273778233 1368658769 /nfs/dbraw/zinc/65/87/69/1368658769.db2.gz IRFBYXZXFVNZSJ-UHFFFAOYSA-N 1 2 330.453 2.269 20 30 EEEDLO Cc1cnc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3C#N)C2)cn1 ZINC001071324654 1370481196 /nfs/dbraw/zinc/48/11/96/1370481196.db2.gz OIAPPTVZMNHTNM-QAPCUYQASA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1cnc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ccccc3C#N)C2)cn1 ZINC001071324654 1370481199 /nfs/dbraw/zinc/48/11/99/1370481199.db2.gz OIAPPTVZMNHTNM-QAPCUYQASA-N 1 2 349.438 2.440 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001072196173 1370638242 /nfs/dbraw/zinc/63/82/42/1370638242.db2.gz PGZJUZDYWUHLCV-CVEARBPZSA-N 1 2 346.475 2.229 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)C1 ZINC001072591268 1370755288 /nfs/dbraw/zinc/75/52/88/1370755288.db2.gz NOGBIQDGMAPASM-WDNDVIMCSA-N 1 2 339.277 2.475 20 30 EEEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)C1 ZINC001072591268 1370755292 /nfs/dbraw/zinc/75/52/92/1370755292.db2.gz NOGBIQDGMAPASM-WDNDVIMCSA-N 1 2 339.277 2.475 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCC(C)(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001073206407 1370834259 /nfs/dbraw/zinc/83/42/59/1370834259.db2.gz 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Cc1cc(C[N@H+](C)CCNC(=O)CC#Cc2ccccc2)sn1 ZINC001753075862 1406668467 /nfs/dbraw/zinc/66/84/67/1406668467.db2.gz MHZSXANWVGQWMS-UHFFFAOYSA-N 1 2 327.453 2.441 20 30 EEEDLO Cc1cc(C[N@@H+](C)CCNC(=O)CC#Cc2ccccc2)sn1 ZINC001753075862 1406668475 /nfs/dbraw/zinc/66/84/75/1406668475.db2.gz MHZSXANWVGQWMS-UHFFFAOYSA-N 1 2 327.453 2.441 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)COc1cc(C)on1 ZINC001398742021 1394172522 /nfs/dbraw/zinc/17/25/22/1394172522.db2.gz QOAAVEGKNZCVCQ-ZDUSSCGKSA-N 1 2 327.812 2.085 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)COc1cc(C)on1 ZINC001398742021 1394172525 /nfs/dbraw/zinc/17/25/25/1394172525.db2.gz QOAAVEGKNZCVCQ-ZDUSSCGKSA-N 1 2 327.812 2.085 20 30 EEEDLO C#CC[NH2+][C@H](C)C1CCN(C(=O)c2c(Cl)[nH]nc2C2CC2)CC1 ZINC001753274070 1406728567 /nfs/dbraw/zinc/72/85/67/1406728567.db2.gz NXCDTGXDGJHDLT-LLVKDONJSA-N 1 2 334.851 2.404 20 30 EEEDLO C[C@H](C#N)C(=O)NCc1ccc(C[NH2+][C@@H](C)c2csnn2)cc1 ZINC001401061144 1396892411 /nfs/dbraw/zinc/89/24/11/1396892411.db2.gz ACDFWQXHXUAVOF-NEPJUHHUSA-N 1 2 329.429 2.165 20 30 EEEDLO C=CCCC(=O)N1CC[C@@]2(CC[N@@H+](Cc3cn(C(C)C)nn3)C2)C1 ZINC001754561838 1406923367 /nfs/dbraw/zinc/92/33/67/1406923367.db2.gz DXWFGKAPKGSGDJ-GOSISDBHSA-N 1 2 331.464 2.250 20 30 EEEDLO C=CCCC(=O)N1CC[C@@]2(CC[N@H+](Cc3cn(C(C)C)nn3)C2)C1 ZINC001754561838 1406923375 /nfs/dbraw/zinc/92/33/75/1406923375.db2.gz DXWFGKAPKGSGDJ-GOSISDBHSA-N 1 2 331.464 2.250 20 30 EEEDLO CC#CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1nncn1C ZINC001754659206 1406941258 /nfs/dbraw/zinc/94/12/58/1406941258.db2.gz HWJSOWIDHJPJIP-ZACQAIPSSA-N 1 2 343.475 2.135 20 30 EEEDLO CC#CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1nncn1C ZINC001754659206 1406941264 /nfs/dbraw/zinc/94/12/64/1406941264.db2.gz HWJSOWIDHJPJIP-ZACQAIPSSA-N 1 2 343.475 2.135 20 30 EEEDLO C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001754969100 1407014390 /nfs/dbraw/zinc/01/43/90/1407014390.db2.gz RBHYKGIMMYSRPP-CQSZACIVSA-N 1 2 334.464 2.104 20 30 EEEDLO C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001754969100 1407014401 /nfs/dbraw/zinc/01/44/01/1407014401.db2.gz RBHYKGIMMYSRPP-CQSZACIVSA-N 1 2 334.464 2.104 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](O)(CNC(=O)CC(C)(C)CC)C1 ZINC001423754257 1400785808 /nfs/dbraw/zinc/78/58/08/1400785808.db2.gz BIGMRKOQZHJPHO-OAHLLOKOSA-N 1 2 347.297 2.274 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](O)(CNC(=O)CC(C)(C)CC)C1 ZINC001423754257 1400785809 /nfs/dbraw/zinc/78/58/09/1400785809.db2.gz BIGMRKOQZHJPHO-OAHLLOKOSA-N 1 2 347.297 2.274 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@@H+](Cc2coc(C)n2)CC1(C)C ZINC001755139757 1407151603 /nfs/dbraw/zinc/15/16/03/1407151603.db2.gz KRYLZHBHJDCCJF-QAPCUYQASA-N 1 2 335.448 2.027 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@H+](Cc2coc(C)n2)CC1(C)C ZINC001755139757 1407151605 /nfs/dbraw/zinc/15/16/05/1407151605.db2.gz KRYLZHBHJDCCJF-QAPCUYQASA-N 1 2 335.448 2.027 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2nn(CC)nc2C)[C@@H](C)C1 ZINC001755161711 1407170845 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EEEDLO C#CCO[C@H](C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncc(C(C)C)o1 ZINC001755192996 1407201602 /nfs/dbraw/zinc/20/16/02/1407201602.db2.gz PCGODRXQQAPJKN-HZPDHXFCSA-N 1 2 347.459 2.259 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncc(C(C)C)o1 ZINC001755192996 1407201609 /nfs/dbraw/zinc/20/16/09/1407201609.db2.gz PCGODRXQQAPJKN-HZPDHXFCSA-N 1 2 347.459 2.259 20 30 EEEDLO C#Cc1cccc(NC(=O)C[NH+]2CC([C@H](C)NC(=O)CCCC)C2)c1 ZINC001755370142 1407374449 /nfs/dbraw/zinc/37/44/49/1407374449.db2.gz JGAYLPSGUATLDI-HNNXBMFYSA-N 1 2 341.455 2.233 20 30 EEEDLO C=CCCC(=O)N[C@H](C)C1C[NH+](CC(=O)NCc2cccc(C)c2)C1 ZINC001755374433 1407378688 /nfs/dbraw/zinc/37/86/88/1407378688.db2.gz KXDMAIQONLJLDA-MRXNPFEDSA-N 1 2 343.471 2.014 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)C1C[NH+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC001755383237 1407389862 /nfs/dbraw/zinc/38/98/62/1407389862.db2.gz UWXASXMOOBKFRW-LSDHHAIUSA-N 1 2 337.508 2.186 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CCC[N@H+](Cc2ccncc2Cl)C1 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ZINC001069549993 1411058746 /nfs/dbraw/zinc/05/87/46/1411058746.db2.gz WOVYVMKAUIOGIH-INIZCTEOSA-N 1 2 346.475 2.373 20 30 EEEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(C#N)c(C)n2)CC1 ZINC001164918986 721817614 /nfs/dbraw/zinc/81/76/14/721817614.db2.gz XXEXJOIVJVPAFG-UHFFFAOYSA-N 1 2 336.443 2.208 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCC[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC000946236345 790263270 /nfs/dbraw/zinc/26/32/70/790263270.db2.gz IJLZPFLFBHYNTF-IAGOWNOFSA-N 1 2 344.459 2.031 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2CC)[C@H]1CC ZINC001087788200 782245462 /nfs/dbraw/zinc/24/54/62/782245462.db2.gz ITUDHOVQGGPLSL-SOUVJXGZSA-N 1 2 341.883 2.109 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2CC)[C@H]1CC ZINC001087788200 782245473 /nfs/dbraw/zinc/24/54/73/782245473.db2.gz ITUDHOVQGGPLSL-SOUVJXGZSA-N 1 2 341.883 2.109 20 30 EEEDLO CC[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001211879748 782297639 /nfs/dbraw/zinc/29/76/39/782297639.db2.gz 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C#CCOCCC(=O)N(CCN(C)c1nc(C)[nH+]c(C)c1C)C(C)C ZINC001125583557 760301639 /nfs/dbraw/zinc/30/16/39/760301639.db2.gz FBJUCQHFRVNLRF-UHFFFAOYSA-N 1 2 346.475 2.115 20 30 EEEDLO N#Cc1ccc(NC2(CNC(=O)CCn3cc[nH+]c3)CCCC2)nc1 ZINC001104421878 760497102 /nfs/dbraw/zinc/49/71/02/760497102.db2.gz OVKASAANJJYFDI-UHFFFAOYSA-N 1 2 338.415 2.081 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001098573083 760871703 /nfs/dbraw/zinc/87/17/03/760871703.db2.gz HRSVUQCRYZLYDD-HIFRSBDPSA-N 1 2 346.479 2.109 20 30 EEEDLO CC1(C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]2CCCN(CC#N)[C@@H]21 ZINC001087292746 761497721 /nfs/dbraw/zinc/49/77/21/761497721.db2.gz QLEAPRCZWXISME-XKQJLSEDSA-N 1 2 337.427 2.305 20 30 EEEDLO C[C@H](CNc1cccc(F)c1C#N)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001104553325 761840448 /nfs/dbraw/zinc/84/04/48/761840448.db2.gz KYNPEFOOPDCTIX-GFCCVEGCSA-N 1 2 329.379 2.312 20 30 EEEDLO Cc1nsc(NC[C@@H](C)N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1C#N ZINC001104851770 765426867 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O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)c1ccncc1 ZINC001031514317 769301336 /nfs/dbraw/zinc/30/13/36/769301336.db2.gz LCSSXMUNMDPSNY-UHFFFAOYSA-N 1 2 339.826 2.448 20 30 EEEDLO Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)o1 ZINC001031535733 769449842 /nfs/dbraw/zinc/44/98/42/769449842.db2.gz QZIYRGBRIWANIV-UHFFFAOYSA-N 1 2 327.359 2.461 20 30 EEEDLO COC[C@@H](C#N)OC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000785317471 770256213 /nfs/dbraw/zinc/25/62/13/770256213.db2.gz QCQJJRNETYKWNV-MAUKXSAKSA-N 1 2 330.428 2.411 20 30 EEEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)c3ccns3)C2)ccc1F ZINC001031706881 773506224 /nfs/dbraw/zinc/50/62/24/773506224.db2.gz JRYCOSWGMMYAIK-UHFFFAOYSA-N 1 2 330.388 2.016 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[C@H]2n2cccn2)C1 ZINC001031738443 774165830 /nfs/dbraw/zinc/16/58/30/774165830.db2.gz VHDHXRXQOOJZLW-HZPDHXFCSA-N 1 2 336.867 2.415 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060756607 774429058 /nfs/dbraw/zinc/42/90/58/774429058.db2.gz XJFXJMSVXKRGER-ULQDDVLXSA-N 1 2 346.475 2.277 20 30 EEEDLO Cc1cc(N2CC=C(CNC(=O)[C@H](C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC001127582594 774492450 /nfs/dbraw/zinc/49/24/50/774492450.db2.gz QLUBPZDHCISXBD-CYBMUJFWSA-N 1 2 327.432 2.321 20 30 EEEDLO CCN(c1ccc(C#N)nc1)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001089758152 774912868 /nfs/dbraw/zinc/91/28/68/774912868.db2.gz YMIMJPAULVIZHK-HUUCEWRRSA-N 1 2 340.431 2.132 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000939006765 775169955 /nfs/dbraw/zinc/16/99/55/775169955.db2.gz OSQZNZRBUJICCP-OAHLLOKOSA-N 1 2 346.475 2.198 20 30 EEEDLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCN(C(=O)[C@@H](C)C#N)CC2)cc1 ZINC000980838536 775800750 /nfs/dbraw/zinc/80/07/50/775800750.db2.gz RWTKJUOXJLBSED-JKSUJKDBSA-N 1 2 342.443 2.016 20 30 EEEDLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCN(C(=O)[C@@H](C)C#N)CC2)cc1 ZINC000980838536 775800761 /nfs/dbraw/zinc/80/07/61/775800761.db2.gz RWTKJUOXJLBSED-JKSUJKDBSA-N 1 2 342.443 2.016 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(OC)nc(OC)c1 ZINC001027998892 775887987 /nfs/dbraw/zinc/88/79/87/775887987.db2.gz WGEDIULWKKAIQY-CYBMUJFWSA-N 1 2 339.823 2.046 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(OC)nc(OC)c1 ZINC001027998892 775887991 /nfs/dbraw/zinc/88/79/91/775887991.db2.gz WGEDIULWKKAIQY-CYBMUJFWSA-N 1 2 339.823 2.046 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCCN(C(=O)c3ncccc3O)CC2)c1 ZINC000981026659 776400548 /nfs/dbraw/zinc/40/05/48/776400548.db2.gz IGBTXFQLHJGOHJ-UHFFFAOYSA-N 1 2 336.395 2.007 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)c3ncccc3O)CC2)c1 ZINC000981026659 776400552 /nfs/dbraw/zinc/40/05/52/776400552.db2.gz IGBTXFQLHJGOHJ-UHFFFAOYSA-N 1 2 336.395 2.007 20 30 EEEDLO Cc1nnsc1C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C#N ZINC001098982516 790486261 /nfs/dbraw/zinc/48/62/61/790486261.db2.gz LDSIWKXWDWAODK-YPMHNXCESA-N 1 2 335.477 2.113 20 30 EEEDLO Cc1nnsc1C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C#N ZINC001098982516 790486270 /nfs/dbraw/zinc/48/62/70/790486270.db2.gz LDSIWKXWDWAODK-YPMHNXCESA-N 1 2 335.477 2.113 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncsc1C(F)(F)F ZINC001032518898 790525370 /nfs/dbraw/zinc/52/53/70/790525370.db2.gz FZRFORSUHDZJQG-UWVGGRQHSA-N 1 2 329.347 2.084 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncsc1C(F)(F)F ZINC001032518898 790525378 /nfs/dbraw/zinc/52/53/78/790525378.db2.gz FZRFORSUHDZJQG-UWVGGRQHSA-N 1 2 329.347 2.084 20 30 EEEDLO C[C@H]1CO[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(F)c(C#N)c3)CC2)C1 ZINC000981644379 777904086 /nfs/dbraw/zinc/90/40/86/777904086.db2.gz JYVPQIMPFVCDCY-RDTXWAMCSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@H]1CO[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)CC2)C1 ZINC000981644379 777904089 /nfs/dbraw/zinc/90/40/89/777904089.db2.gz JYVPQIMPFVCDCY-RDTXWAMCSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1CO[C@H](C(=O)N2CCC[N@H+](Cc3ccc(F)c(C#N)c3)CC2)C1 ZINC000981644378 777904096 /nfs/dbraw/zinc/90/40/96/777904096.db2.gz JYVPQIMPFVCDCY-KSSFIOAISA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1CO[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)CC2)C1 ZINC000981644378 777904100 /nfs/dbraw/zinc/90/41/00/777904100.db2.gz JYVPQIMPFVCDCY-KSSFIOAISA-N 1 2 345.418 2.157 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(OC)nn2)CC1 ZINC000981735448 778132132 /nfs/dbraw/zinc/13/21/32/778132132.db2.gz IIKCHJFKOMFFHP-UHFFFAOYSA-N 1 2 332.448 2.122 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(OC)nn2)CC1 ZINC000981735448 778132133 /nfs/dbraw/zinc/13/21/33/778132133.db2.gz IIKCHJFKOMFFHP-UHFFFAOYSA-N 1 2 332.448 2.122 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC3(F)F)C2)C1 ZINC000981755449 778142991 /nfs/dbraw/zinc/14/29/91/778142991.db2.gz IVLCADZOODNOOA-NSHDSACASA-N 1 2 349.219 2.475 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC3(F)F)C2)C1 ZINC000981755449 778142993 /nfs/dbraw/zinc/14/29/93/778142993.db2.gz IVLCADZOODNOOA-NSHDSACASA-N 1 2 349.219 2.475 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1)C(C)C ZINC000981877584 778465188 /nfs/dbraw/zinc/46/51/88/778465188.db2.gz HRKSIPGIJVKXGJ-GOSISDBHSA-N 1 2 347.434 2.403 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1)C(C)C ZINC000981877584 778465193 /nfs/dbraw/zinc/46/51/93/778465193.db2.gz HRKSIPGIJVKXGJ-GOSISDBHSA-N 1 2 347.434 2.403 20 30 EEEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](CCCCC)C(C)C)C2)nn1 ZINC001105359619 778931042 /nfs/dbraw/zinc/93/10/42/778931042.db2.gz OZXCESNSKZPBOI-SFHVURJKSA-N 1 2 345.491 2.237 20 30 EEEDLO C=C1CCC(C(=O)N(CC)CCNc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001106932984 779207822 /nfs/dbraw/zinc/20/78/22/779207822.db2.gz XKBIZCMHOPKJDM-UHFFFAOYSA-N 1 2 346.479 2.253 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H](CCNC(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001060368185 790692880 /nfs/dbraw/zinc/69/28/80/790692880.db2.gz NBMFQXJLNGJQIS-HNNXBMFYSA-N 1 2 344.459 2.053 20 30 EEEDLO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH+]1CCN(CC#N)CC1 ZINC000893991515 780370268 /nfs/dbraw/zinc/37/02/68/780370268.db2.gz BKSOOZWSODIHJF-UHFFFAOYSA-N 1 2 340.427 2.294 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cn1)OCCC2 ZINC001028290349 780378964 /nfs/dbraw/zinc/37/89/64/780378964.db2.gz KEMYSAUWZHVAHV-CQSZACIVSA-N 1 2 335.835 2.353 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cn1)OCCC2 ZINC001028290349 780378975 /nfs/dbraw/zinc/37/89/75/780378975.db2.gz KEMYSAUWZHVAHV-CQSZACIVSA-N 1 2 335.835 2.353 20 30 EEEDLO Cc1nocc1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001031945714 780413140 /nfs/dbraw/zinc/41/31/40/780413140.db2.gz RHMUEIJQBVSQLG-UHFFFAOYSA-N 1 2 343.814 2.350 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000941389935 780417567 /nfs/dbraw/zinc/41/75/67/780417567.db2.gz WDRAMSVRFGWFKF-SFHVURJKSA-N 1 2 332.448 2.006 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000941389935 780417571 /nfs/dbraw/zinc/41/75/71/780417571.db2.gz WDRAMSVRFGWFKF-SFHVURJKSA-N 1 2 332.448 2.006 20 30 EEEDLO Cc1c(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)ccn1C ZINC001031957108 780667397 /nfs/dbraw/zinc/66/73/97/780667397.db2.gz MTOASDUCRUTISA-UHFFFAOYSA-N 1 2 339.414 2.186 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)C3CC4(CC4)C3)C2)cc1F ZINC001031963592 780837090 /nfs/dbraw/zinc/83/70/90/780837090.db2.gz PMFNBRUNRWJNTP-UHFFFAOYSA-N 1 2 327.403 2.436 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001087456476 780871556 /nfs/dbraw/zinc/87/15/56/780871556.db2.gz ZHIOFBXLCNBUDB-NVXWUHKLSA-N 1 2 343.406 2.108 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001087456476 780871566 /nfs/dbraw/zinc/87/15/66/780871566.db2.gz ZHIOFBXLCNBUDB-NVXWUHKLSA-N 1 2 343.406 2.108 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001087456476 780871577 /nfs/dbraw/zinc/87/15/77/780871577.db2.gz ZHIOFBXLCNBUDB-NVXWUHKLSA-N 1 2 343.406 2.108 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001087456476 780871582 /nfs/dbraw/zinc/87/15/82/780871582.db2.gz ZHIOFBXLCNBUDB-NVXWUHKLSA-N 1 2 343.406 2.108 20 30 EEEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C(CC(C)C)CC(C)C)C2)nn1 ZINC001105379413 781211958 /nfs/dbraw/zinc/21/19/58/781211958.db2.gz VGGFYIMRPCMZCL-UHFFFAOYSA-N 1 2 345.491 2.093 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000941894819 781293042 /nfs/dbraw/zinc/29/30/42/781293042.db2.gz OFYKBSNEBSCUPL-IBGZPJMESA-N 1 2 346.475 2.016 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2nccc3[nH]ccc32)C1 ZINC001031983816 781474993 /nfs/dbraw/zinc/47/49/93/781474993.db2.gz NBQGUHISZSTHSN-UHFFFAOYSA-N 1 2 345.406 2.296 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)CC(C)(C)C ZINC001211866666 781571901 /nfs/dbraw/zinc/57/19/01/781571901.db2.gz BQRHWKHWPBHWRR-IAGOWNOFSA-N 1 2 347.434 2.449 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)CC(C)(C)C ZINC001211866666 781571908 /nfs/dbraw/zinc/57/19/08/781571908.db2.gz BQRHWKHWPBHWRR-IAGOWNOFSA-N 1 2 347.434 2.449 20 30 EEEDLO C=CCOc1ccccc1C(=O)NC1C[NH+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC001030541997 790904381 /nfs/dbraw/zinc/90/43/81/790904381.db2.gz IQRYNHXAKPAADK-ZBFHGGJFSA-N 1 2 330.428 2.233 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)no2)C[C@H]1C ZINC000942123222 781773703 /nfs/dbraw/zinc/77/37/03/781773703.db2.gz RKJSELFEXJRUCW-UKRRQHHQSA-N 1 2 343.431 2.006 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2nc(C)no2)C[C@H]1C ZINC000942123222 781773711 /nfs/dbraw/zinc/77/37/11/781773711.db2.gz RKJSELFEXJRUCW-UKRRQHHQSA-N 1 2 343.431 2.006 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2nnc(C)o2)C[C@H]1C ZINC000942131663 781792195 /nfs/dbraw/zinc/79/21/95/781792195.db2.gz XWDWSTHWYMYXEN-HIFRSBDPSA-N 1 2 343.431 2.006 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2nnc(C)o2)C[C@H]1C ZINC000942131663 781792199 /nfs/dbraw/zinc/79/21/99/781792199.db2.gz XWDWSTHWYMYXEN-HIFRSBDPSA-N 1 2 343.431 2.006 20 30 EEEDLO CCc1cnc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2CC)o1 ZINC001087548796 781801692 /nfs/dbraw/zinc/80/16/92/781801692.db2.gz 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C=C(C)C(C)(C)C(=O)N1CC(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000991850033 791007755 /nfs/dbraw/zinc/00/77/55/791007755.db2.gz XXMUSZZKIKMNND-UHFFFAOYSA-N 1 2 340.427 2.186 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)cc2OC)C1 ZINC001035489431 784575792 /nfs/dbraw/zinc/57/57/92/784575792.db2.gz DUOJGVBIMJPYAL-AWEZNQCLSA-N 1 2 338.835 2.355 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)cc2OC)C1 ZINC001035489431 784575797 /nfs/dbraw/zinc/57/57/97/784575797.db2.gz DUOJGVBIMJPYAL-AWEZNQCLSA-N 1 2 338.835 2.355 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001035466979 784591092 /nfs/dbraw/zinc/59/10/92/784591092.db2.gz OTGKLQYOCAHKFR-MRXNPFEDSA-N 1 2 327.428 2.483 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001035466979 784591098 /nfs/dbraw/zinc/59/10/98/784591098.db2.gz OTGKLQYOCAHKFR-MRXNPFEDSA-N 1 2 327.428 2.483 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc3cccc(C)c3o2)C1 ZINC001035616944 784856188 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/nfs/dbraw/zinc/06/95/66/788069566.db2.gz ZPOQZOXIFCMYIB-LJQANCHMSA-N 1 2 345.443 2.096 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cncc(F)c2)cc1 ZINC001032350867 788115281 /nfs/dbraw/zinc/11/52/81/788115281.db2.gz SBFLJNNQBIRNEB-ROUUACIJSA-N 1 2 336.370 2.191 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cncc(F)c2)cc1 ZINC001032350867 788115285 /nfs/dbraw/zinc/11/52/85/788115285.db2.gz SBFLJNNQBIRNEB-ROUUACIJSA-N 1 2 336.370 2.191 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001077678186 788248129 /nfs/dbraw/zinc/24/81/29/788248129.db2.gz CRFDZTOJBVFRET-ZDUSSCGKSA-N 1 2 332.448 2.018 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCC3)[C@@H](O)C1 ZINC001090793073 788292870 /nfs/dbraw/zinc/29/28/70/788292870.db2.gz HPKBMUCCLOOOTP-IRXDYDNUSA-N 1 2 334.847 2.093 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCC3)[C@@H](O)C1 ZINC001090793073 788292873 /nfs/dbraw/zinc/29/28/73/788292873.db2.gz HPKBMUCCLOOOTP-IRXDYDNUSA-N 1 2 334.847 2.093 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnnn2CC)CCC1 ZINC001109683697 805872652 /nfs/dbraw/zinc/87/26/52/805872652.db2.gz XWKQUMOKHFFTOV-PVAVHDDUSA-N 1 2 343.475 2.266 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnnn2CC)CCC1 ZINC001109683697 805872658 /nfs/dbraw/zinc/87/26/58/805872658.db2.gz XWKQUMOKHFFTOV-PVAVHDDUSA-N 1 2 343.475 2.266 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)CC)CCC1 ZINC001109683638 805872708 /nfs/dbraw/zinc/87/27/08/805872708.db2.gz VQRPNZVMWAVMDS-YVSFHVDLSA-N 1 2 347.503 2.369 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)CC)CCC1 ZINC001109683638 805872718 /nfs/dbraw/zinc/87/27/18/805872718.db2.gz VQRPNZVMWAVMDS-YVSFHVDLSA-N 1 2 347.503 2.369 20 30 EEEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)nc1 ZINC000780655059 805910042 /nfs/dbraw/zinc/91/00/42/805910042.db2.gz OIFCTBMSTOETPC-UHFFFAOYSA-N 1 2 341.440 2.042 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060795767 788997761 /nfs/dbraw/zinc/99/77/61/788997761.db2.gz VBIHGVRCXIOQEU-SHTZXODSSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060795643 789000969 /nfs/dbraw/zinc/00/09/69/789000969.db2.gz QXRPEJBNOBKSIO-BZUAXINKSA-N 1 2 346.475 2.346 20 30 EEEDLO C#CCCCC(=O)NC[C@]1(C)C[N@H+](CCc2csc(C)n2)CCO1 ZINC001107901752 789190740 /nfs/dbraw/zinc/19/07/40/789190740.db2.gz XCJMRMCVOTUXGZ-GOSISDBHSA-N 1 2 349.500 2.005 20 30 EEEDLO C#CCCCC(=O)NC[C@]1(C)C[N@@H+](CCc2csc(C)n2)CCO1 ZINC001107901752 789190746 /nfs/dbraw/zinc/19/07/46/789190746.db2.gz XCJMRMCVOTUXGZ-GOSISDBHSA-N 1 2 349.500 2.005 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC001006023777 789307943 /nfs/dbraw/zinc/30/79/43/789307943.db2.gz YOPFDGPNKTXHTL-OIISXLGYSA-N 1 2 344.459 2.052 20 30 EEEDLO Cc1cc(C[N@@H+]2CCO[C@](C)(CNC(=O)C#CC(C)C)C2)cs1 ZINC001107926547 789336844 /nfs/dbraw/zinc/33/68/44/789336844.db2.gz JVNREGIMDYYOQE-GOSISDBHSA-N 1 2 334.485 2.423 20 30 EEEDLO Cc1cc(C[N@H+]2CCO[C@](C)(CNC(=O)C#CC(C)C)C2)cs1 ZINC001107926547 789336849 /nfs/dbraw/zinc/33/68/49/789336849.db2.gz JVNREGIMDYYOQE-GOSISDBHSA-N 1 2 334.485 2.423 20 30 EEEDLO COC(=O)[C@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1cccc(C#N)c1 ZINC000845283752 789711259 /nfs/dbraw/zinc/71/12/59/789711259.db2.gz ZIYFHSZYYNKDSA-BLLLJJGKSA-N 1 2 327.340 2.163 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2[nH]c(C)c(C(C)=O)c2CCC)C1 ZINC000923583511 789819796 /nfs/dbraw/zinc/81/97/96/789819796.db2.gz CXHBKRZONTXIBP-HNNXBMFYSA-N 1 2 329.444 2.306 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]c(C)c(C(C)=O)c2CCC)C1 ZINC000923583511 789819799 /nfs/dbraw/zinc/81/97/99/789819799.db2.gz CXHBKRZONTXIBP-HNNXBMFYSA-N 1 2 329.444 2.306 20 30 EEEDLO C[C@H](CC(=O)O[C@H]1CCCN(c2cc(C#N)ccn2)C1)n1cc[nH+]c1 ZINC000845526976 789832290 /nfs/dbraw/zinc/83/22/90/789832290.db2.gz DQNDIPIRYAGRGW-ZBFHGGJFSA-N 1 2 339.399 2.313 20 30 EEEDLO C=C(C)CONC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000845595399 789885564 /nfs/dbraw/zinc/88/55/64/789885564.db2.gz GWOMARAMMNQPBN-QGZVFWFLSA-N 1 2 347.459 2.427 20 30 EEEDLO CC1(C(=O)NC[C@]2(C)C[N@H+](Cc3ccc(C#N)cc3)CCO2)CC1 ZINC001107958864 789913664 /nfs/dbraw/zinc/91/36/64/789913664.db2.gz AMLJOCQKDLAQTI-LJQANCHMSA-N 1 2 327.428 2.065 20 30 EEEDLO CC1(C(=O)NC[C@]2(C)C[N@@H+](Cc3ccc(C#N)cc3)CCO2)CC1 ZINC001107958864 789913668 /nfs/dbraw/zinc/91/36/68/789913668.db2.gz AMLJOCQKDLAQTI-LJQANCHMSA-N 1 2 327.428 2.065 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001107960153 789925352 /nfs/dbraw/zinc/92/53/52/789925352.db2.gz ZCDBWMUTAUEKDW-HXUWFJFHSA-N 1 2 344.455 2.156 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001107960153 789925355 /nfs/dbraw/zinc/92/53/55/789925355.db2.gz ZCDBWMUTAUEKDW-HXUWFJFHSA-N 1 2 344.455 2.156 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCN(C(C)(C)C)C1=O ZINC001032557242 791195367 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HRXYMMOEEKLWKH-HIFRSBDPSA-N 1 2 332.835 2.368 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)c(C)n1 ZINC001088927687 791581148 /nfs/dbraw/zinc/58/11/48/791581148.db2.gz PDHKCUBDJJGZDI-KUHUBIRLSA-N 1 2 349.438 2.358 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)c(C)n1 ZINC001088927687 791581152 /nfs/dbraw/zinc/58/11/52/791581152.db2.gz PDHKCUBDJJGZDI-KUHUBIRLSA-N 1 2 349.438 2.358 20 30 EEEDLO C#CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nc(C(C)C)no1)C2 ZINC001147428176 791814685 /nfs/dbraw/zinc/81/46/85/791814685.db2.gz MEACUDLPSGMLOD-UHFFFAOYSA-N 1 2 330.432 2.031 20 30 EEEDLO C#CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nc(C(C)C)no1)C2 ZINC001147428176 791814688 /nfs/dbraw/zinc/81/46/88/791814688.db2.gz MEACUDLPSGMLOD-UHFFFAOYSA-N 1 2 330.432 2.031 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(CC)o1)C2 ZINC001147630938 791890525 /nfs/dbraw/zinc/89/05/25/791890525.db2.gz INVCMACJRROPQZ-UHFFFAOYSA-N 1 2 332.448 2.269 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1nnc(CC)o1)C2 ZINC001147630938 791890533 /nfs/dbraw/zinc/89/05/33/791890533.db2.gz INVCMACJRROPQZ-UHFFFAOYSA-N 1 2 332.448 2.269 20 30 EEEDLO C#CCOCCC(=O)N1CCC[C@H](C)[C@@H]1CCNc1cc[nH+]c(C)n1 ZINC001091660064 791948123 /nfs/dbraw/zinc/94/81/23/791948123.db2.gz MVVGQNMHDKYOHJ-RDJZCZTQSA-N 1 2 344.459 2.254 20 30 EEEDLO C#CCCCCCC(=O)NCC1(NC(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001063923726 791953827 /nfs/dbraw/zinc/95/38/27/791953827.db2.gz CGNUCNAWBLRCBA-UHFFFAOYSA-N 1 2 344.459 2.081 20 30 EEEDLO C#CCCCCCC(=O)NCC1(NC(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001063923726 791953828 /nfs/dbraw/zinc/95/38/28/791953828.db2.gz CGNUCNAWBLRCBA-UHFFFAOYSA-N 1 2 344.459 2.081 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C)cn1)C2 ZINC001148087315 792171605 /nfs/dbraw/zinc/17/16/05/792171605.db2.gz BZNAGVXFEIOLQZ-HZPDHXFCSA-N 1 2 328.460 2.278 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C)cn1)C2 ZINC001148087315 792171608 /nfs/dbraw/zinc/17/16/08/792171608.db2.gz BZNAGVXFEIOLQZ-HZPDHXFCSA-N 1 2 328.460 2.278 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(C)n1CC)C2 ZINC001148087885 792173036 /nfs/dbraw/zinc/17/30/36/792173036.db2.gz HNPCUQMDLJZFBO-GJZGRUSLSA-N 1 2 345.491 2.099 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nnc(C)n1CC)C2 ZINC001148087885 792173041 /nfs/dbraw/zinc/17/30/41/792173041.db2.gz HNPCUQMDLJZFBO-GJZGRUSLSA-N 1 2 345.491 2.099 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079093992 792174869 /nfs/dbraw/zinc/17/48/69/792174869.db2.gz XIPVHORSWUAJLN-NVXWUHKLSA-N 1 2 346.475 2.394 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCC1(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001064107406 792417884 /nfs/dbraw/zinc/41/78/84/792417884.db2.gz KTNRQCDUOQZJBU-LSDHHAIUSA-N 1 2 346.475 2.346 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCC1(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001064107406 792417886 /nfs/dbraw/zinc/41/78/86/792417886.db2.gz 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CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)c1ccccc1)c1nccn12 ZINC001092407829 793955626 /nfs/dbraw/zinc/95/56/26/793955626.db2.gz USROQQAEGUHFCR-FUHWJXTLSA-N 1 2 348.450 2.282 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001030977737 794777099 /nfs/dbraw/zinc/77/70/99/794777099.db2.gz WLJWWEBOPXDGFI-MOPGFXCFSA-N 1 2 326.440 2.067 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079592656 794996887 /nfs/dbraw/zinc/99/68/87/794996887.db2.gz RJCMIKXEAOYFHS-IAQYHMDHSA-N 1 2 343.818 2.185 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079592656 794996894 /nfs/dbraw/zinc/99/68/94/794996894.db2.gz RJCMIKXEAOYFHS-IAQYHMDHSA-N 1 2 343.818 2.185 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]21 ZINC001093336896 795036190 /nfs/dbraw/zinc/03/61/90/795036190.db2.gz PXQFOEUKFQNUMD-VQFNDLOPSA-N 1 2 326.444 2.146 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC(N(CC)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001079695034 795111379 /nfs/dbraw/zinc/11/13/79/795111379.db2.gz SQERQUWSXLIISP-UHFFFAOYSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]1C ZINC001079719919 795134175 /nfs/dbraw/zinc/13/41/75/795134175.db2.gz KZGHAIJWBOWXRI-TUVASFSCSA-N 1 2 335.473 2.061 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2nccs2)C[C@H]1C ZINC001079719919 795134180 /nfs/dbraw/zinc/13/41/80/795134180.db2.gz KZGHAIJWBOWXRI-TUVASFSCSA-N 1 2 335.473 2.061 20 30 EEEDLO CC(C)n1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)cn1 ZINC001032727907 795274184 /nfs/dbraw/zinc/27/41/84/795274184.db2.gz ZJUZOWQBGQTPHY-OALUTQOASA-N 1 2 349.438 2.435 20 30 EEEDLO CC(C)n1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)cn1 ZINC001032727907 795274187 /nfs/dbraw/zinc/27/41/87/795274187.db2.gz ZJUZOWQBGQTPHY-OALUTQOASA-N 1 2 349.438 2.435 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ncccn2)C[C@H]1C ZINC001079855849 795285253 /nfs/dbraw/zinc/28/52/53/795285253.db2.gz 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2.044 20 30 EEEDLO C=CCCC(=O)N[C@@H](C)c1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001060605336 796890564 /nfs/dbraw/zinc/89/05/64/796890564.db2.gz SESFWXGOWIHSEQ-HNNXBMFYSA-N 1 2 340.427 2.343 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C(C)(C)C1CC1 ZINC001082042144 797115056 /nfs/dbraw/zinc/11/50/56/797115056.db2.gz BJDMNZYUXQOUDM-HZPDHXFCSA-N 1 2 347.484 2.371 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C(C)(C)C1CC1 ZINC001082042144 797115060 /nfs/dbraw/zinc/11/50/60/797115060.db2.gz BJDMNZYUXQOUDM-HZPDHXFCSA-N 1 2 347.484 2.371 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001082079561 797177293 /nfs/dbraw/zinc/17/72/93/797177293.db2.gz CXJWPNNBLNPFSF-HOTGVXAUSA-N 1 2 332.448 2.298 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001082186624 797304046 /nfs/dbraw/zinc/30/40/46/797304046.db2.gz BNXAQIVULCBEKP-INIZCTEOSA-N 1 2 332.448 2.127 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001082186743 797304179 /nfs/dbraw/zinc/30/41/79/797304179.db2.gz HPMXMIOAUDNEBD-SJORKVTESA-N 1 2 346.475 2.373 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn(CC3CC3)nn2)[C@@H]1C ZINC000994109315 797323729 /nfs/dbraw/zinc/32/37/29/797323729.db2.gz UNEIMBFXDPZLCU-GXTWGEPZSA-N 1 2 337.855 2.023 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(CC3CC3)nn2)[C@@H]1C ZINC000994109315 797323741 /nfs/dbraw/zinc/32/37/41/797323741.db2.gz UNEIMBFXDPZLCU-GXTWGEPZSA-N 1 2 337.855 2.023 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001082320514 797449096 /nfs/dbraw/zinc/44/90/96/797449096.db2.gz XDIIVYXBNCGJOR-HOCLYGCPSA-N 1 2 332.448 2.052 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3nocc3C)[C@H]2C)cn1 ZINC000994246293 797518827 /nfs/dbraw/zinc/51/88/27/797518827.db2.gz CVOALQLYNZTPGP-YOEHRIQHSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3nocc3C)[C@H]2C)cn1 ZINC000994246293 797518833 /nfs/dbraw/zinc/51/88/33/797518833.db2.gz CVOALQLYNZTPGP-YOEHRIQHSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](Cc2ccc(COC)cc2)C1 ZINC001031313204 797556731 /nfs/dbraw/zinc/55/67/31/797556731.db2.gz DZWJYRQMHQGUHF-UHFFFAOYSA-N 1 2 348.446 2.357 20 30 EEEDLO CC[C@H](C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001083006200 797823071 /nfs/dbraw/zinc/82/30/71/797823071.db2.gz YHUYFIYFNFSCSZ-DOPJRALCSA-N 1 2 345.418 2.155 20 30 EEEDLO CC[C@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001083006200 797823081 /nfs/dbraw/zinc/82/30/81/797823081.db2.gz YHUYFIYFNFSCSZ-DOPJRALCSA-N 1 2 345.418 2.155 20 30 EEEDLO C/C=C(\C)C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001083043441 797837215 /nfs/dbraw/zinc/83/72/15/797837215.db2.gz DTVRSWVDVQZGPZ-HZQXIFESSA-N 1 2 342.414 2.055 20 30 EEEDLO C/C=C(\C)C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001083043441 797837222 /nfs/dbraw/zinc/83/72/22/797837222.db2.gz DTVRSWVDVQZGPZ-HZQXIFESSA-N 1 2 342.414 2.055 20 30 EEEDLO O=C(c1cccnc1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084154411 798005116 /nfs/dbraw/zinc/00/51/16/798005116.db2.gz NLFSOKKTGOSFJV-WOJBJXKFSA-N 1 2 331.419 2.280 20 30 EEEDLO O=C(c1cccnc1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084154411 798005122 /nfs/dbraw/zinc/00/51/22/798005122.db2.gz NLFSOKKTGOSFJV-WOJBJXKFSA-N 1 2 331.419 2.280 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)o1 ZINC001084288441 798104580 /nfs/dbraw/zinc/10/45/80/798104580.db2.gz URXIVSATUULDND-XJKCOSOUSA-N 1 2 339.399 2.090 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)o1 ZINC001084288441 798104582 /nfs/dbraw/zinc/10/45/82/798104582.db2.gz URXIVSATUULDND-XJKCOSOUSA-N 1 2 339.399 2.090 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC4(F)F)[C@@H]3C2)c(F)c1 ZINC001084329372 798151321 /nfs/dbraw/zinc/15/13/21/798151321.db2.gz WNUAQYCYPXNOHW-IIAWOOMASA-N 1 2 349.356 2.385 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC4(F)F)[C@@H]3C2)c(F)c1 ZINC001084329372 798151326 /nfs/dbraw/zinc/15/13/26/798151326.db2.gz WNUAQYCYPXNOHW-IIAWOOMASA-N 1 2 349.356 2.385 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(OCC)nc3)[C@@H]2C1 ZINC001084387721 798189959 /nfs/dbraw/zinc/18/99/59/798189959.db2.gz VNDNXLXBRAXJRU-HUUCEWRRSA-N 1 2 335.835 2.379 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(OCC)nc3)[C@@H]2C1 ZINC001084387721 798189962 /nfs/dbraw/zinc/18/99/62/798189962.db2.gz VNDNXLXBRAXJRU-HUUCEWRRSA-N 1 2 335.835 2.379 20 30 EEEDLO Cc1nonc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000994521972 798208360 /nfs/dbraw/zinc/20/83/60/798208360.db2.gz BOBLSMHCLJMLPH-CJNGLKHVSA-N 1 2 339.399 2.033 20 30 EEEDLO Cc1nonc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000994521972 798208363 /nfs/dbraw/zinc/20/83/63/798208363.db2.gz BOBLSMHCLJMLPH-CJNGLKHVSA-N 1 2 339.399 2.033 20 30 EEEDLO C[C@H](C[C@@H](C)Nc1ccc(C#N)nc1)NC(=O)CCc1c[nH+]cn1C ZINC001089374366 798229736 /nfs/dbraw/zinc/22/97/36/798229736.db2.gz IPMAEKSPCRXYJS-ZIAGYGMSSA-N 1 2 340.431 2.015 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4cn[nH]c43)[C@@H]2C1 ZINC001084566500 798278132 /nfs/dbraw/zinc/27/81/32/798278132.db2.gz YRLAFCDUZPAMJM-UKRRQHHQSA-N 1 2 330.819 2.462 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4cn[nH]c43)[C@@H]2C1 ZINC001084566500 798278137 /nfs/dbraw/zinc/27/81/37/798278137.db2.gz YRLAFCDUZPAMJM-UKRRQHHQSA-N 1 2 330.819 2.462 20 30 EEEDLO CC[C@H](F)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084579516 798288661 /nfs/dbraw/zinc/28/86/61/798288661.db2.gz SLKDSYAPDKNUTQ-HLLBOEOZSA-N 1 2 333.382 2.478 20 30 EEEDLO CC[C@H](F)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084579516 798288664 /nfs/dbraw/zinc/28/86/64/798288664.db2.gz SLKDSYAPDKNUTQ-HLLBOEOZSA-N 1 2 333.382 2.478 20 30 EEEDLO C[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084585721 798293931 /nfs/dbraw/zinc/29/39/31/798293931.db2.gz VRUJRIBVRDFPOM-OBZJAWTPSA-N 1 2 327.403 2.386 20 30 EEEDLO C[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084585721 798293934 /nfs/dbraw/zinc/29/39/34/798293934.db2.gz VRUJRIBVRDFPOM-OBZJAWTPSA-N 1 2 327.403 2.386 20 30 EEEDLO C#CCOCCC(=O)N[C@H](C)C[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001089396629 798350826 /nfs/dbraw/zinc/35/08/26/798350826.db2.gz OWKGSMUXRXSATE-UONOGXRCSA-N 1 2 344.459 2.398 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ncc4n3CCCC4)[C@@H]2C1 ZINC001084841256 798497213 /nfs/dbraw/zinc/49/72/13/798497213.db2.gz NQAFYRNZMMVOER-UKRRQHHQSA-N 1 2 334.851 2.118 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ncc4n3CCCC4)[C@@H]2C1 ZINC001084841256 798497216 /nfs/dbraw/zinc/49/72/16/798497216.db2.gz NQAFYRNZMMVOER-UKRRQHHQSA-N 1 2 334.851 2.118 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC3CCCC3)C[C@@H]21 ZINC001176887559 798614489 /nfs/dbraw/zinc/61/44/89/798614489.db2.gz MGNXKIBUJSWPKK-ROUUACIJSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)CC3CCCC3)C[C@@H]21 ZINC001176887559 798614493 /nfs/dbraw/zinc/61/44/93/798614493.db2.gz MGNXKIBUJSWPKK-ROUUACIJSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001061147692 798621674 /nfs/dbraw/zinc/62/16/74/798621674.db2.gz XDKQOZQRULSZOM-HNNXBMFYSA-N 1 2 344.459 2.006 20 30 EEEDLO C=CCOCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cscn1 ZINC001098971608 798760780 /nfs/dbraw/zinc/76/07/80/798760780.db2.gz QGJHVIGCCQXYSS-OAHLLOKOSA-N 1 2 337.489 2.453 20 30 EEEDLO C=CCOCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cscn1 ZINC001098971608 798760784 /nfs/dbraw/zinc/76/07/84/798760784.db2.gz QGJHVIGCCQXYSS-OAHLLOKOSA-N 1 2 337.489 2.453 20 30 EEEDLO C[C@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCN(c2ncccc2C#N)C1 ZINC001065356927 798948694 /nfs/dbraw/zinc/94/86/94/798948694.db2.gz FBYKWMZSCYQASM-IBGZPJMESA-N 1 2 346.394 2.228 20 30 EEEDLO C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)CCCC)C1 ZINC001177512345 798995754 /nfs/dbraw/zinc/99/57/54/798995754.db2.gz DLAFVNLKUGDKNR-UHFFFAOYSA-N 1 2 328.456 2.275 20 30 EEEDLO C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)/C=C(\C)CC)C1 ZINC001177524696 799004720 /nfs/dbraw/zinc/00/47/20/799004720.db2.gz ANFBPPFIWHPGFZ-QGOAFFKASA-N 1 2 340.467 2.442 20 30 EEEDLO N=C(c1ccccc1N)N(O)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177622689 799053952 /nfs/dbraw/zinc/05/39/52/799053952.db2.gz QDKMGOIHZHITPH-HNNXBMFYSA-N 1 2 328.372 2.070 20 30 EEEDLO N=C(c1ccccc1N)N(O)C(=O)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177622689 799053955 /nfs/dbraw/zinc/05/39/55/799053955.db2.gz QDKMGOIHZHITPH-HNNXBMFYSA-N 1 2 328.372 2.070 20 30 EEEDLO CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C#N)Cc1cccs1 ZINC001177917667 799179314 /nfs/dbraw/zinc/17/93/14/799179314.db2.gz LGVUXKMSUQNHDO-GDBMZVCRSA-N 1 2 349.500 2.293 20 30 EEEDLO NC(=NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc2cc(O)ccc2c1 ZINC001178119364 799279184 /nfs/dbraw/zinc/27/91/84/799279184.db2.gz PISDOWNVMMRNFG-HNNXBMFYSA-N 1 2 334.379 2.236 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)C3CCC3)C2)CC1 ZINC001065677276 799328727 /nfs/dbraw/zinc/32/87/27/799328727.db2.gz QDBKOAVOUAHGDF-AEFFLSMTSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CCC(=C)C)CC2)C1 ZINC001065713491 799414488 /nfs/dbraw/zinc/41/44/88/799414488.db2.gz UQKHHSUMCOJIJB-GOSISDBHSA-N 1 2 347.503 2.444 20 30 EEEDLO C#Cc1ccc(C(=O)NC2CC[NH+](Cc3ncc(C)cn3)CC2)cc1 ZINC001003413425 799625246 /nfs/dbraw/zinc/62/52/46/799625246.db2.gz YIGSOUXAOKXVNK-UHFFFAOYSA-N 1 2 334.423 2.161 20 30 EEEDLO CC#CCCCC(=O)N1CC[C@H]([NH2+]Cc2nc(CC3CC3)no2)[C@@H]1C ZINC001179359803 799896151 /nfs/dbraw/zinc/89/61/51/799896151.db2.gz GUNVEHOJRMQSIC-HOCLYGCPSA-N 1 2 344.459 2.295 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]([NH2+]Cc2nc(CC3CC3)no2)[C@@H]1C ZINC001179463413 799936207 /nfs/dbraw/zinc/93/62/07/799936207.db2.gz GHJHWGKKKAISQJ-ZFWWWQNUSA-N 1 2 332.448 2.457 20 30 EEEDLO C=CCCC(=O)N(C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001078875664 800042650 /nfs/dbraw/zinc/04/26/50/800042650.db2.gz FQOXQWYHYDYWBT-KRWDZBQOSA-N 1 2 346.475 2.469 20 30 EEEDLO Cc1nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@H](C)C#N)c(C)c(C)[nH+]1 ZINC001066123952 800044067 /nfs/dbraw/zinc/04/40/67/800044067.db2.gz VAFSPWCDTWDUKO-XFBWCDHKSA-N 1 2 327.432 2.131 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001066213499 800206220 /nfs/dbraw/zinc/20/62/20/800206220.db2.gz LRQMOBASXJOUIT-CQSZACIVSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CN(C)C(=O)C2CCCCCC2)C1=O ZINC001085509835 800665351 /nfs/dbraw/zinc/66/53/51/800665351.db2.gz HWKPMOZQTFURDU-QZTJIDSGSA-N 1 2 347.503 2.276 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CN(C)C(=O)C2CCCCCC2)C1=O ZINC001085509835 800665357 /nfs/dbraw/zinc/66/53/57/800665357.db2.gz HWKPMOZQTFURDU-QZTJIDSGSA-N 1 2 347.503 2.276 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)c1cc[nH]c(=O)c1 ZINC001085543116 800730077 /nfs/dbraw/zinc/73/00/77/800730077.db2.gz PMPALIIXVRWGAG-KRWDZBQOSA-N 1 2 336.395 2.005 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)c1cc[nH]c(=O)c1 ZINC001085543116 800730082 /nfs/dbraw/zinc/73/00/82/800730082.db2.gz PMPALIIXVRWGAG-KRWDZBQOSA-N 1 2 336.395 2.005 20 30 EEEDLO CC(=O)C[C@H](C)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001181257280 800746135 /nfs/dbraw/zinc/74/61/35/800746135.db2.gz NWIXJHGRJUAUED-HNNXBMFYSA-N 1 2 327.428 2.276 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)C1=CCOCC1 ZINC001085562610 800788711 /nfs/dbraw/zinc/78/87/11/800788711.db2.gz PKJNTPXMTXCCPV-KRWDZBQOSA-N 1 2 343.402 2.077 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)C1=CCOCC1 ZINC001085562610 800788718 /nfs/dbraw/zinc/78/87/18/800788718.db2.gz PKJNTPXMTXCCPV-KRWDZBQOSA-N 1 2 343.402 2.077 20 30 EEEDLO Cn1cc(NC(=O)C23CC(C2)CC[N@@H+]3Cc2ccccc2)c(C#N)n1 ZINC001181484403 800814598 /nfs/dbraw/zinc/81/45/98/800814598.db2.gz JIOGWGLLCDRFFZ-UHFFFAOYSA-N 1 2 335.411 2.285 20 30 EEEDLO Cn1cc(NC(=O)C23CC(C2)CC[N@H+]3Cc2ccccc2)c(C#N)n1 ZINC001181484403 800814606 /nfs/dbraw/zinc/81/46/06/800814606.db2.gz JIOGWGLLCDRFFZ-UHFFFAOYSA-N 1 2 335.411 2.285 20 30 EEEDLO C=CCOCC[NH2+]C[C@]1(C)CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001181564656 800843278 /nfs/dbraw/zinc/84/32/78/800843278.db2.gz KYCHBEKPULWPDI-YRGRVCCFSA-N 1 2 340.361 2.164 20 30 EEEDLO C=CCOCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C ZINC001181564656 800843282 /nfs/dbraw/zinc/84/32/82/800843282.db2.gz KYCHBEKPULWPDI-YRGRVCCFSA-N 1 2 340.361 2.164 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001182112728 801028823 /nfs/dbraw/zinc/02/88/23/801028823.db2.gz BXHRFRSIQCNHQA-OAHLLOKOSA-N 1 2 330.432 2.221 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2nccnc2C)cc1 ZINC001085757281 801198030 /nfs/dbraw/zinc/19/80/30/801198030.db2.gz DHHJFJLWKKBFLT-SFHVURJKSA-N 1 2 334.423 2.113 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2nccnc2C)cc1 ZINC001085757281 801198035 /nfs/dbraw/zinc/19/80/35/801198035.db2.gz DHHJFJLWKKBFLT-SFHVURJKSA-N 1 2 334.423 2.113 20 30 EEEDLO CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110318727 801256737 /nfs/dbraw/zinc/25/67/37/801256737.db2.gz XROPGZXZDRHARV-QVDUIBETSA-N 1 2 345.418 2.344 20 30 EEEDLO CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110318727 801256744 /nfs/dbraw/zinc/25/67/44/801256744.db2.gz XROPGZXZDRHARV-QVDUIBETSA-N 1 2 345.418 2.344 20 30 EEEDLO CCc1ncoc1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001085809170 801327728 /nfs/dbraw/zinc/32/77/28/801327728.db2.gz WTBSNRIQGVMABD-INIZCTEOSA-N 1 2 338.411 2.455 20 30 EEEDLO CCc1ncoc1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001085809170 801327732 /nfs/dbraw/zinc/32/77/32/801327732.db2.gz WTBSNRIQGVMABD-INIZCTEOSA-N 1 2 338.411 2.455 20 30 EEEDLO C#CCC1(C(=O)N2CC[C@@H]([NH2+]Cc3nc(CC(C)C)no3)C2)CCC1 ZINC001183185153 801502212 /nfs/dbraw/zinc/50/22/12/801502212.db2.gz AGAIWNGNCPPGAD-OAHLLOKOSA-N 1 2 344.459 2.152 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001066348306 801751402 /nfs/dbraw/zinc/75/14/02/801751402.db2.gz SJQIRGYKNUDJMG-INIZCTEOSA-N 1 2 332.448 2.127 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000922732326 801784360 /nfs/dbraw/zinc/78/43/60/801784360.db2.gz XFPMXJRMVUDEKJ-CVEARBPZSA-N 1 2 330.432 2.401 20 30 EEEDLO CCCC#CC(=O)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001184268287 801956159 /nfs/dbraw/zinc/95/61/59/801956159.db2.gz SSSUZQNCLIXQDP-UHFFFAOYSA-N 1 2 327.428 2.083 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC001108234548 801986429 /nfs/dbraw/zinc/98/64/29/801986429.db2.gz LTKJKTFBGRGIHS-QGZVFWFLSA-N 1 2 346.456 2.145 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC001108234548 801986433 /nfs/dbraw/zinc/98/64/33/801986433.db2.gz LTKJKTFBGRGIHS-QGZVFWFLSA-N 1 2 346.456 2.145 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001066373207 802051645 /nfs/dbraw/zinc/05/16/45/802051645.db2.gz YLIXPFSZHRGTMX-OAHLLOKOSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)C1 ZINC001184784023 802186813 /nfs/dbraw/zinc/18/68/13/802186813.db2.gz WXQKKSWFTJSJFX-UHFFFAOYSA-N 1 2 331.464 2.207 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)C1 ZINC001184784023 802186817 /nfs/dbraw/zinc/18/68/17/802186817.db2.gz WXQKKSWFTJSJFX-UHFFFAOYSA-N 1 2 331.464 2.207 20 30 EEEDLO CC(C)(C)OC(=O)N(CCC#N)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001184849054 802197569 /nfs/dbraw/zinc/19/75/69/802197569.db2.gz VMKQJERINIDRCK-UHFFFAOYSA-N 1 2 343.387 2.424 20 30 EEEDLO CC(C)n1ccc(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004495988 802223942 /nfs/dbraw/zinc/22/39/42/802223942.db2.gz WYDOKIKJCPBYCP-SFHVURJKSA-N 1 2 343.475 2.233 20 30 EEEDLO CC(C)n1ccc(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004495988 802223947 /nfs/dbraw/zinc/22/39/47/802223947.db2.gz WYDOKIKJCPBYCP-SFHVURJKSA-N 1 2 343.475 2.233 20 30 EEEDLO COC1CCC(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)CC1 ZINC001004525309 802295520 /nfs/dbraw/zinc/29/55/20/802295520.db2.gz UXQKOIHYXRNACY-ABHNRTSZSA-N 1 2 333.476 2.418 20 30 EEEDLO COC1CCC(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)CC1 ZINC001004525309 802295524 /nfs/dbraw/zinc/29/55/24/802295524.db2.gz UXQKOIHYXRNACY-ABHNRTSZSA-N 1 2 333.476 2.418 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cccc3c2OCC3)CC1 ZINC001004552435 802375625 /nfs/dbraw/zinc/37/56/25/802375625.db2.gz OXMNVESGTAJARJ-GOSISDBHSA-N 1 2 339.439 2.462 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cccc3c2OCC3)CC1 ZINC001004552435 802375628 /nfs/dbraw/zinc/37/56/28/802375628.db2.gz OXMNVESGTAJARJ-GOSISDBHSA-N 1 2 339.439 2.462 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(CC)s2)[C@@H](O)C1 ZINC001090405983 802376649 /nfs/dbraw/zinc/37/66/49/802376649.db2.gz ACKHTDWJQKGEJF-STQMWFEESA-N 1 2 328.865 2.228 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)s2)[C@@H](O)C1 ZINC001090405983 802376659 /nfs/dbraw/zinc/37/66/59/802376659.db2.gz ACKHTDWJQKGEJF-STQMWFEESA-N 1 2 328.865 2.228 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2csc3cncn32)CC1 ZINC001004566614 802383353 /nfs/dbraw/zinc/38/33/53/802383353.db2.gz FQAKXJQTTWNGSE-AWEZNQCLSA-N 1 2 343.456 2.236 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2csc3cncn32)CC1 ZINC001004566614 802383360 /nfs/dbraw/zinc/38/33/60/802383360.db2.gz FQAKXJQTTWNGSE-AWEZNQCLSA-N 1 2 343.456 2.236 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001033146812 802442943 /nfs/dbraw/zinc/44/29/43/802442943.db2.gz QPXNFSUJDSJKEZ-QGZVFWFLSA-N 1 2 341.459 2.063 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001033146812 802442948 /nfs/dbraw/zinc/44/29/48/802442948.db2.gz QPXNFSUJDSJKEZ-QGZVFWFLSA-N 1 2 341.459 2.063 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)COc2ccccc2)CC1 ZINC001004599516 802457607 /nfs/dbraw/zinc/45/76/07/802457607.db2.gz HRHWESCQHFRMAB-GOSISDBHSA-N 1 2 327.428 2.292 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)COc2ccccc2)CC1 ZINC001004599516 802457614 /nfs/dbraw/zinc/45/76/14/802457614.db2.gz HRHWESCQHFRMAB-GOSISDBHSA-N 1 2 327.428 2.292 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001066442503 802505304 /nfs/dbraw/zinc/50/53/04/802505304.db2.gz AYFOEYSAYLDPAQ-CQSZACIVSA-N 1 2 332.448 2.052 20 30 EEEDLO C[C@H]([NH2+]Cc1noc(C2CC2)n1)[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001004857372 803091160 /nfs/dbraw/zinc/09/11/60/803091160.db2.gz YQTVFQJGBLSWAD-XJKSGUPXSA-N 1 2 342.443 2.220 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001066561533 803205507 /nfs/dbraw/zinc/20/55/07/803205507.db2.gz NRBWBLMQDHRZHB-AWEZNQCLSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)c(F)c2)[C@@H](O)C1 ZINC001090415262 803213738 /nfs/dbraw/zinc/21/37/38/803213738.db2.gz ZGDISTDUWYGVLH-CABCVRRESA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c(F)c2)[C@@H](O)C1 ZINC001090415262 803213743 /nfs/dbraw/zinc/21/37/43/803213743.db2.gz ZGDISTDUWYGVLH-CABCVRRESA-N 1 2 326.799 2.052 20 30 EEEDLO C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)c2n[nH]c3ccccc32)C1 ZINC001108377262 803399504 /nfs/dbraw/zinc/39/95/04/803399504.db2.gz YCLXPVKFMRUKIX-IBGZPJMESA-N 1 2 342.443 2.350 20 30 EEEDLO C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)c2n[nH]c3ccccc32)C1 ZINC001108377262 803399510 /nfs/dbraw/zinc/39/95/10/803399510.db2.gz YCLXPVKFMRUKIX-IBGZPJMESA-N 1 2 342.443 2.350 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2c(C)nn(C)c2Cl)C1 ZINC001033236609 803456993 /nfs/dbraw/zinc/45/69/93/803456993.db2.gz GLVSDUDZIFWXBK-LBPRGKRZSA-N 1 2 345.274 2.210 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c(C)nn(C)c2Cl)C1 ZINC001033236609 803456997 /nfs/dbraw/zinc/45/69/97/803456997.db2.gz GLVSDUDZIFWXBK-LBPRGKRZSA-N 1 2 345.274 2.210 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)Cc2ccccc2)C1 ZINC001108413133 803517907 /nfs/dbraw/zinc/51/79/07/803517907.db2.gz TZXDRLQCAZJVFT-YLJYHZDGSA-N 1 2 328.456 2.096 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)Cc2ccccc2)C1 ZINC001108413133 803517911 /nfs/dbraw/zinc/51/79/11/803517911.db2.gz TZXDRLQCAZJVFT-YLJYHZDGSA-N 1 2 328.456 2.096 20 30 EEEDLO C=CCOc1ccc(CC(=O)NC[C@]2(C)C[N@H+](CC=C)CCO2)cc1 ZINC001108426178 803526542 /nfs/dbraw/zinc/52/65/42/803526542.db2.gz KMIVXBBIWZENPU-HXUWFJFHSA-N 1 2 344.455 2.187 20 30 EEEDLO C=CCOc1ccc(CC(=O)NC[C@]2(C)C[N@@H+](CC=C)CCO2)cc1 ZINC001108426178 803526547 /nfs/dbraw/zinc/52/65/47/803526547.db2.gz KMIVXBBIWZENPU-HXUWFJFHSA-N 1 2 344.455 2.187 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001108427139 803528916 /nfs/dbraw/zinc/52/89/16/803528916.db2.gz VCXTVMZYNJKALK-IBGZPJMESA-N 1 2 343.427 2.183 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001108427139 803528919 /nfs/dbraw/zinc/52/89/19/803528919.db2.gz VCXTVMZYNJKALK-IBGZPJMESA-N 1 2 343.427 2.183 20 30 EEEDLO C=C[C@@H](CO)Nc1[nH+]cnc2c1CCN2Cc1ccc(OC)cc1 ZINC001169779414 804061735 /nfs/dbraw/zinc/06/17/35/804061735.db2.gz JHWYAHVFDPQLBV-AWEZNQCLSA-N 1 2 326.400 2.007 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)C3(CC(C)C)CCC3)CC2=O)C1 ZINC001108554994 804062220 /nfs/dbraw/zinc/06/22/20/804062220.db2.gz CLBSWRZUDLLZKU-INIZCTEOSA-N 1 2 347.503 2.180 20 30 EEEDLO CS(=O)(=O)C1CCC([NH+]2CCN(c3ccccc3C#N)CC2)CC1 ZINC001169870169 804169313 /nfs/dbraw/zinc/16/93/13/804169313.db2.gz INAFDNULTSNBHK-UHFFFAOYSA-N 1 2 347.484 2.036 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@H](CCCC)C(C)C)CC2=O)C1 ZINC001108591644 804261885 /nfs/dbraw/zinc/26/18/85/804261885.db2.gz AJTRYPCFPNNNKN-SJLPKXTDSA-N 1 2 349.519 2.426 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccco1)C2 ZINC001108861930 804610356 /nfs/dbraw/zinc/61/03/56/804610356.db2.gz FPBDWSDFVCVQJQ-PMPSAXMXSA-N 1 2 345.443 2.039 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccco1)C2 ZINC001108861930 804610359 /nfs/dbraw/zinc/61/03/59/804610359.db2.gz FPBDWSDFVCVQJQ-PMPSAXMXSA-N 1 2 345.443 2.039 20 30 EEEDLO CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N 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LWQQJAZFTXBXNW-COXVUDFISA-N 1 2 336.382 2.389 20 30 EEEDLO Cc1nc(N(C)C[C@H](C)NC(=O)c2cccc3[nH+]ccn32)ccc1C#N ZINC001109151777 805025783 /nfs/dbraw/zinc/02/57/83/805025783.db2.gz NWPNVABJRGLQLK-ZDUSSCGKSA-N 1 2 348.410 2.164 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)C)C3)cn1 ZINC001109248967 805163329 /nfs/dbraw/zinc/16/33/29/805163329.db2.gz YZQBLRFAIVOGFO-CBZIJGRNSA-N 1 2 326.444 2.227 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)C)C3)cn1 ZINC001109248967 805163333 /nfs/dbraw/zinc/16/33/33/805163333.db2.gz YZQBLRFAIVOGFO-CBZIJGRNSA-N 1 2 326.444 2.227 20 30 EEEDLO CCOc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC2CC2)C3)n1 ZINC001109251597 805194182 /nfs/dbraw/zinc/19/41/82/805194182.db2.gz BEHMJQLSOFCCQY-SQNIBIBYSA-N 1 2 339.439 2.115 20 30 EEEDLO CCOc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC2CC2)C3)n1 ZINC001109251597 805194186 /nfs/dbraw/zinc/19/41/86/805194186.db2.gz BEHMJQLSOFCCQY-SQNIBIBYSA-N 1 2 339.439 2.115 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CCCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001109343982 805331845 /nfs/dbraw/zinc/33/18/45/805331845.db2.gz IULWQJILINGFIQ-HOTGVXAUSA-N 1 2 332.448 2.465 20 30 EEEDLO CC(C)(C)OCC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001112776357 807216522 /nfs/dbraw/zinc/21/65/22/807216522.db2.gz ZEORVWKKYPKRRV-UHFFFAOYSA-N 1 2 345.443 2.048 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC001112869365 807505821 /nfs/dbraw/zinc/50/58/21/807505821.db2.gz ASGQALVZTTYCNQ-UHFFFAOYSA-N 1 2 346.324 2.203 20 30 EEEDLO C[C@H](NC(=O)CCCn1cc[nH+]c1)[C@H](C)Nc1ncc(C#N)cc1F ZINC001113077632 808059407 /nfs/dbraw/zinc/05/94/07/808059407.db2.gz QIHJAWHVAYKXGK-STQMWFEESA-N 1 2 344.394 2.074 20 30 EEEDLO C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@@H](C)Nc1ccc(C#N)nc1 ZINC001113220446 808468430 /nfs/dbraw/zinc/46/84/30/808468430.db2.gz QSHYBOKMLKAHCD-CHWSQXEVSA-N 1 2 334.383 2.220 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+](Cc2ccc(C(=O)NC)cc2)CC1 ZINC001113246825 808533086 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20 30 EEEDLO C=C(C)COc1cccc(NC(=O)N[C@H](C)C[NH+]2CCOCC2)c1 ZINC000067319445 215133021 /nfs/dbraw/zinc/13/30/21/215133021.db2.gz TZHRHUZTZBZHNV-OAHLLOKOSA-N 1 2 333.432 2.484 20 30 EEEDLO COCC[C@@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000101701750 237068719 /nfs/dbraw/zinc/06/87/19/237068719.db2.gz BOIVTBFRGXKFBU-GFCCVEGCSA-N 1 2 328.416 2.071 20 30 EEEDLO Cc1noc(C2CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000054679340 201131925 /nfs/dbraw/zinc/13/19/25/201131925.db2.gz VFQUIBSJURDTQF-UHFFFAOYSA-N 1 2 325.372 2.068 20 30 EEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000266967227 201221803 /nfs/dbraw/zinc/22/18/03/201221803.db2.gz YPKNVKOQLDINJX-UHFFFAOYSA-N 1 2 339.395 2.103 20 30 EEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000266967227 201221805 /nfs/dbraw/zinc/22/18/05/201221805.db2.gz YPKNVKOQLDINJX-UHFFFAOYSA-N 1 2 339.395 2.103 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000269586073 201231878 /nfs/dbraw/zinc/23/18/78/201231878.db2.gz 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ZEKBBWBLPOWRSD-GFCCVEGCSA-N 1 2 327.885 2.352 20 30 EEEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000175088271 207092300 /nfs/dbraw/zinc/09/23/00/207092300.db2.gz BHFMXGWHLPXUDZ-CQSZACIVSA-N 1 2 341.415 2.361 20 30 EEEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000175088271 207092303 /nfs/dbraw/zinc/09/23/03/207092303.db2.gz BHFMXGWHLPXUDZ-CQSZACIVSA-N 1 2 341.415 2.361 20 30 EEEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)c3ccsc3)CC2)cc1 ZINC000268607168 252063477 /nfs/dbraw/zinc/06/34/77/252063477.db2.gz JXVJGYFOYSUJGW-QGZVFWFLSA-N 1 2 341.436 2.111 20 30 EEEDLO C#CCn1ccc(CN(CCOC)Cc2c[nH+]c3c(C)cccn23)n1 ZINC000491728132 533219615 /nfs/dbraw/zinc/21/96/15/533219615.db2.gz AIBNFHAKXWDKLC-UHFFFAOYSA-N 1 2 337.427 2.121 20 30 EEEDLO CC1(C)C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)S1 ZINC000274255059 256368656 /nfs/dbraw/zinc/36/86/56/256368656.db2.gz YJXJWMYAHSPVDB-UHFFFAOYSA-N 1 2 345.428 2.470 20 30 EEEDLO C#C[C@H](CCC)NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000491568243 533311139 /nfs/dbraw/zinc/31/11/39/533311139.db2.gz PQVQWKDVLHQREB-MSOLQXFVSA-N 1 2 329.444 2.161 20 30 EEEDLO CS(=O)(=O)C[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000292202203 533367730 /nfs/dbraw/zinc/36/77/30/533367730.db2.gz LXPPFADEQUGEDN-CQSZACIVSA-N 1 2 345.386 2.423 20 30 EEEDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000292202203 533367736 /nfs/dbraw/zinc/36/77/36/533367736.db2.gz LXPPFADEQUGEDN-CQSZACIVSA-N 1 2 345.386 2.423 20 30 EEEDLO COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)cc1OCCCC#N ZINC000093055449 533564420 /nfs/dbraw/zinc/56/44/20/533564420.db2.gz RBRZAZKTWROINC-GOSISDBHSA-N 1 2 345.443 2.334 20 30 EEEDLO COc1ccc(C[N@H+]2CCNC(=O)[C@H]2C(C)C)cc1OCCCC#N ZINC000093055449 533564422 /nfs/dbraw/zinc/56/44/22/533564422.db2.gz RBRZAZKTWROINC-GOSISDBHSA-N 1 2 345.443 2.334 20 30 EEEDLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1C ZINC000249056488 160372022 /nfs/dbraw/zinc/37/20/22/160372022.db2.gz IYHFKYLEVJMXFP-UMVBOHGHSA-N 1 2 329.400 2.016 20 30 EEEDLO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1C ZINC000249056488 160372023 /nfs/dbraw/zinc/37/20/23/160372023.db2.gz IYHFKYLEVJMXFP-UMVBOHGHSA-N 1 2 329.400 2.016 20 30 EEEDLO CC[NH+]1CCN(C(=O)[C@@H](C)SCc2ccc(F)cc2C#N)CC1 ZINC000341927803 161024661 /nfs/dbraw/zinc/02/46/61/161024661.db2.gz OFHSSDYHNKJSDF-CYBMUJFWSA-N 1 2 335.448 2.483 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCCSC3)CC2)cc1 ZINC000332547957 270018907 /nfs/dbraw/zinc/01/89/07/270018907.db2.gz NZNHDBZWBOJBDA-KRWDZBQOSA-N 1 2 344.484 2.281 20 30 EEEDLO CCCNC(=O)C[N@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000298025448 266056628 /nfs/dbraw/zinc/05/66/28/266056628.db2.gz DSNACNPXMVVGGL-AWEZNQCLSA-N 1 2 330.432 2.123 20 30 EEEDLO CCCNC(=O)C[N@@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000298025448 266056630 /nfs/dbraw/zinc/05/66/30/266056630.db2.gz DSNACNPXMVVGGL-AWEZNQCLSA-N 1 2 330.432 2.123 20 30 EEEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C[C@@]2(CCOC2)O1 ZINC000331583655 266381003 /nfs/dbraw/zinc/38/10/03/266381003.db2.gz PFKNAPCRGHZCPX-IDHHARJASA-N 1 2 343.427 2.155 20 30 EEEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C[C@@]2(CCOC2)O1 ZINC000331583655 266381007 /nfs/dbraw/zinc/38/10/07/266381007.db2.gz PFKNAPCRGHZCPX-IDHHARJASA-N 1 2 343.427 2.155 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329462680 267144336 /nfs/dbraw/zinc/14/43/36/267144336.db2.gz SYJHJJNUNZCKEH-DOMZBBRYSA-N 1 2 348.834 2.205 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329462680 267144338 /nfs/dbraw/zinc/14/43/38/267144338.db2.gz SYJHJJNUNZCKEH-DOMZBBRYSA-N 1 2 348.834 2.205 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000180712573 267241954 /nfs/dbraw/zinc/24/19/54/267241954.db2.gz KOCWSVAIVXDZRZ-LBPRGKRZSA-N 1 2 343.818 2.418 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(Cl)c1O ZINC000180712573 267241957 /nfs/dbraw/zinc/24/19/57/267241957.db2.gz KOCWSVAIVXDZRZ-LBPRGKRZSA-N 1 2 343.818 2.418 20 30 EEEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000451932271 267258819 /nfs/dbraw/zinc/25/88/19/267258819.db2.gz SMULXDRKRQUVRN-JTQLQIEISA-N 1 2 338.820 2.468 20 30 EEEDLO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1nc2ccccc2o1 ZINC000431607376 267298169 /nfs/dbraw/zinc/29/81/69/267298169.db2.gz WIFIAOXHPMTJPX-UHFFFAOYSA-N 1 2 334.379 2.448 20 30 EEEDLO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1nc2ccccc2o1 ZINC000431607376 267298172 /nfs/dbraw/zinc/29/81/72/267298172.db2.gz WIFIAOXHPMTJPX-UHFFFAOYSA-N 1 2 334.379 2.448 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCc3occc3C2)cc1 ZINC000288725740 268187461 /nfs/dbraw/zinc/18/74/61/268187461.db2.gz GDIUNIYOZWUICS-UHFFFAOYSA-N 1 2 330.409 2.373 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCc3occc3C2)cc1 ZINC000288725740 268187465 /nfs/dbraw/zinc/18/74/65/268187465.db2.gz GDIUNIYOZWUICS-UHFFFAOYSA-N 1 2 330.409 2.373 20 30 EEEDLO N#Cc1cccc(-n2ccc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000281550037 268230248 /nfs/dbraw/zinc/23/02/48/268230248.db2.gz JGIAFWADRIEZCK-HNNXBMFYSA-N 1 2 346.394 2.487 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc4cccnc4[nH]3)CC2)cc1 ZINC000563178230 318980341 /nfs/dbraw/zinc/98/03/41/318980341.db2.gz GARCIIHMMMCOSX-UHFFFAOYSA-N 1 2 345.406 2.393 20 30 EEEDLO Cc1ccccc1[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000566245543 319264431 /nfs/dbraw/zinc/26/44/31/319264431.db2.gz NJYVZECTCLTKDP-GOSISDBHSA-N 1 2 333.395 2.483 20 30 EEEDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000566245543 319264433 /nfs/dbraw/zinc/26/44/33/319264433.db2.gz NJYVZECTCLTKDP-GOSISDBHSA-N 1 2 333.395 2.483 20 30 EEEDLO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000581048433 324173721 /nfs/dbraw/zinc/17/37/21/324173721.db2.gz JXYLPVDGTNCDPP-INIZCTEOSA-N 1 2 349.438 2.411 20 30 EEEDLO Cc1cc(NC(=O)C[NH+]2CCC(C#N)CC2)n(-c2ccccc2F)n1 ZINC000060893126 462568947 /nfs/dbraw/zinc/56/89/47/462568947.db2.gz KZUGGSGWVIGBIB-UHFFFAOYSA-N 1 2 341.390 2.494 20 30 EEEDLO N#Cc1ccnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1Cl ZINC000336818293 465048931 /nfs/dbraw/zinc/04/89/31/465048931.db2.gz UWWGSFDBDMWZGZ-MRXNPFEDSA-N 1 2 342.830 2.920 20 30 EEEDLO N#Cc1ccnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1Cl ZINC000336818293 465048941 /nfs/dbraw/zinc/04/89/41/465048941.db2.gz UWWGSFDBDMWZGZ-MRXNPFEDSA-N 1 2 342.830 2.920 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](CCOCC(F)(F)F)CC2)c(F)c1 ZINC000336870168 465063182 /nfs/dbraw/zinc/06/31/82/465063182.db2.gz HPCJAROKRSOBKY-UHFFFAOYSA-N 1 2 331.313 2.398 20 30 EEEDLO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cn(C)nn3)C2)cc1 ZINC000328895657 465159779 /nfs/dbraw/zinc/15/97/79/465159779.db2.gz VIRHRTUCQGNSPC-HNNXBMFYSA-N 1 2 342.447 2.362 20 30 EEEDLO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cn(C)nn3)C2)cc1 ZINC000328895657 465159782 /nfs/dbraw/zinc/15/97/82/465159782.db2.gz VIRHRTUCQGNSPC-HNNXBMFYSA-N 1 2 342.447 2.362 20 30 EEEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2COCCN2C)C[C@@H](C)O1 ZINC000329059907 465220040 /nfs/dbraw/zinc/22/00/40/465220040.db2.gz ULYJPZUHSPELTO-IIDMSEBBSA-N 1 2 347.459 2.214 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccccc2SC)C1=O ZINC000337224120 465252860 /nfs/dbraw/zinc/25/28/60/465252860.db2.gz NFUKCNJSAGSGOF-UKRRQHHQSA-N 1 2 347.484 2.454 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccccc2SC)C1=O ZINC000337224120 465252865 /nfs/dbraw/zinc/25/28/65/465252865.db2.gz NFUKCNJSAGSGOF-UKRRQHHQSA-N 1 2 347.484 2.454 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@@H]2CCN(c3ccccc3OC)C2=O)CC1 ZINC000341980727 465281585 /nfs/dbraw/zinc/28/15/85/465281585.db2.gz AXQDWEDABJVEJD-MRXNPFEDSA-N 1 2 343.427 2.053 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000534864215 468279297 /nfs/dbraw/zinc/27/92/97/468279297.db2.gz ZHESWXTXPVZVHJ-SFHVURJKSA-N 1 2 329.448 2.012 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCn3c[nH+]cc3C2)c1 ZINC000590599744 468283702 /nfs/dbraw/zinc/28/37/02/468283702.db2.gz NCDAANXADGJWRO-UHFFFAOYSA-N 1 2 337.427 2.262 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)N=c2nc(-c3sccc3C)[nH]s2)CC1 ZINC000491020662 468287399 /nfs/dbraw/zinc/28/73/99/468287399.db2.gz IDASENWTRNUVCY-UHFFFAOYSA-N 1 2 346.481 2.281 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)c(F)c3)n2CC)CC1 ZINC000491106144 468301651 /nfs/dbraw/zinc/30/16/51/468301651.db2.gz XIEMAPQDWUFLII-UHFFFAOYSA-N 1 2 327.407 2.168 20 30 EEEDLO N#Cc1c(Cl)nsc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000044975873 462548769 /nfs/dbraw/zinc/54/87/69/462548769.db2.gz PVBFCRFWPKLUHV-ZDUSSCGKSA-N 1 2 344.893 2.288 20 30 EEEDLO Cc1cc(NC(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)no1 ZINC000046086814 462645542 /nfs/dbraw/zinc/64/55/42/462645542.db2.gz FWAODZBYGWJWBZ-UHFFFAOYSA-N 1 2 339.399 2.006 20 30 EEEDLO Cc1cc(NC(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)no1 ZINC000046086814 462645548 /nfs/dbraw/zinc/64/55/48/462645548.db2.gz FWAODZBYGWJWBZ-UHFFFAOYSA-N 1 2 339.399 2.006 20 30 EEEDLO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000133752578 462966781 /nfs/dbraw/zinc/96/67/81/462966781.db2.gz HXMJUKXKTBJKAS-OAHLLOKOSA-N 1 2 346.500 2.138 20 30 EEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2cc(C#N)cs2)CC1 ZINC000133752578 462966787 /nfs/dbraw/zinc/96/67/87/462966787.db2.gz HXMJUKXKTBJKAS-OAHLLOKOSA-N 1 2 346.500 2.138 20 30 EEEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CN3CCOCC3)n2)C1 ZINC000051152100 463023345 /nfs/dbraw/zinc/02/33/45/463023345.db2.gz UUBYEGGHWVMDCR-CYBMUJFWSA-N 1 2 338.477 2.295 20 30 EEEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CN3CCOCC3)n2)C1 ZINC000051152100 463023351 /nfs/dbraw/zinc/02/33/51/463023351.db2.gz UUBYEGGHWVMDCR-CYBMUJFWSA-N 1 2 338.477 2.295 20 30 EEEDLO N#Cc1cc(SCC[NH+]2CCOCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000134875879 463090898 /nfs/dbraw/zinc/09/08/98/463090898.db2.gz YVEIMPAFDLUFPU-UHFFFAOYSA-N 1 2 344.396 2.439 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000134949290 463100405 /nfs/dbraw/zinc/10/04/05/463100405.db2.gz FWNZCYIOYRVBST-IBGZPJMESA-N 1 2 329.444 2.032 20 30 EEEDLO C=C(C)COCCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000135033694 463109679 /nfs/dbraw/zinc/10/96/79/463109679.db2.gz BJWREYONJHDNMW-UHFFFAOYSA-N 1 2 328.416 2.323 20 30 EEEDLO COC(=O)c1cccc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026325892 463159032 /nfs/dbraw/zinc/15/90/32/463159032.db2.gz SOSXRCNDPIJGKD-UHFFFAOYSA-N 1 2 337.379 2.415 20 30 EEEDLO COC(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026325892 463159040 /nfs/dbraw/zinc/15/90/40/463159040.db2.gz SOSXRCNDPIJGKD-UHFFFAOYSA-N 1 2 337.379 2.415 20 30 EEEDLO CC(C)(C#N)CCCON=C(N)C[NH+]1CCN(c2ccccc2)CC1 ZINC000135489702 463164450 /nfs/dbraw/zinc/16/44/50/463164450.db2.gz RHFLLPYZABFAMU-UHFFFAOYSA-N 1 2 343.475 2.427 20 30 EEEDLO C=C(C)COc1cc(C[NH+]2CCN(C(=O)NCC)CC2)ccc1OC ZINC000121613075 463167380 /nfs/dbraw/zinc/16/73/80/463167380.db2.gz FOZMFHITKXHNDH-UHFFFAOYSA-N 1 2 347.459 2.497 20 30 EEEDLO N#Cc1ccc(CCC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000027163279 463184013 /nfs/dbraw/zinc/18/40/13/463184013.db2.gz HHUPSULBTYSLKE-UHFFFAOYSA-N 1 2 334.423 2.230 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(NC(C)=O)cc2)n1 ZINC000491287897 468342458 /nfs/dbraw/zinc/34/24/58/468342458.db2.gz ORGPMRNBJMBQBM-UHFFFAOYSA-N 1 2 340.427 2.123 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(NC(C)=O)cc2)n1 ZINC000491287897 468342460 /nfs/dbraw/zinc/34/24/60/468342460.db2.gz ORGPMRNBJMBQBM-UHFFFAOYSA-N 1 2 340.427 2.123 20 30 EEEDLO Cc1nc(C2([NH2+]C[C@@H](O)COc3ccc(C#N)cc3)CCCC2)no1 ZINC000068957362 463194703 /nfs/dbraw/zinc/19/47/03/463194703.db2.gz HAJHKVPXFJGKBO-OAHLLOKOSA-N 1 2 342.399 2.049 20 30 EEEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000158762662 463251602 /nfs/dbraw/zinc/25/16/02/463251602.db2.gz LSYIZDNTBHWGPM-GFOMBABLSA-N 1 2 349.438 2.153 20 30 EEEDLO CC(C)N(C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1)C(C)C ZINC000029856657 463276476 /nfs/dbraw/zinc/27/64/76/463276476.db2.gz FKGIKTYVNGQARS-UHFFFAOYSA-N 1 2 346.450 2.465 20 30 EEEDLO NC(=[NH+]OCc1nc(C2CC2)no1)c1ccc(N2CCCCC2)nc1 ZINC000123403353 463338704 /nfs/dbraw/zinc/33/87/04/463338704.db2.gz VBPPJOFUQYEFEL-UHFFFAOYSA-N 1 2 342.403 2.169 20 30 EEEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000072689303 463533712 /nfs/dbraw/zinc/53/37/12/463533712.db2.gz BPSVNGQGFPJRRJ-UHFFFAOYSA-N 1 2 334.376 2.094 20 30 EEEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000072689303 463533716 /nfs/dbraw/zinc/53/37/16/463533716.db2.gz BPSVNGQGFPJRRJ-UHFFFAOYSA-N 1 2 334.376 2.094 20 30 EEEDLO CCOC(=O)C[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CCCC1 ZINC000083244287 463543117 /nfs/dbraw/zinc/54/31/17/463543117.db2.gz JWOKZHNDXAQDOW-UHFFFAOYSA-N 1 2 349.475 2.479 20 30 EEEDLO CCOC(=O)C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CCCC1 ZINC000083244287 463543121 /nfs/dbraw/zinc/54/31/21/463543121.db2.gz JWOKZHNDXAQDOW-UHFFFAOYSA-N 1 2 349.475 2.479 20 30 EEEDLO C=CCCOCC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000590919415 468373161 /nfs/dbraw/zinc/37/31/61/468373161.db2.gz GGZQTZGOHSEXKP-MRXNPFEDSA-N 1 2 332.444 2.493 20 30 EEEDLO C#CCOc1ccccc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000286992896 463766031 /nfs/dbraw/zinc/76/60/31/463766031.db2.gz CRLQAYABDMUXRJ-CVEARBPZSA-N 1 2 343.427 2.026 20 30 EEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O)c1C ZINC000185409534 463816834 /nfs/dbraw/zinc/81/68/34/463816834.db2.gz JQAGGWAREJLTSZ-MYYSRTQBSA-N 1 2 349.500 2.249 20 30 EEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)C[S@](C)=O)c1C ZINC000185409534 463816838 /nfs/dbraw/zinc/81/68/38/463816838.db2.gz JQAGGWAREJLTSZ-MYYSRTQBSA-N 1 2 349.500 2.249 20 30 EEEDLO N#Cc1ccc(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000194728412 463917653 /nfs/dbraw/zinc/91/76/53/463917653.db2.gz KUVHVZSUKISFJD-HXUWFJFHSA-N 1 2 349.434 2.290 20 30 EEEDLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000171955219 463955829 /nfs/dbraw/zinc/95/58/29/463955829.db2.gz LUJLYVPXYDAPHB-CYBMUJFWSA-N 1 2 346.431 2.342 20 30 EEEDLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000171955219 463955833 /nfs/dbraw/zinc/95/58/33/463955833.db2.gz LUJLYVPXYDAPHB-CYBMUJFWSA-N 1 2 346.431 2.342 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc3c(cc2Cl)OCCO3)C1=O ZINC000289508769 464082239 /nfs/dbraw/zinc/08/22/39/464082239.db2.gz UWZDNLSTHVIVSD-CQSZACIVSA-N 1 2 336.819 2.330 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2Cl)OCCO3)C1=O ZINC000289508769 464082246 /nfs/dbraw/zinc/08/22/46/464082246.db2.gz UWZDNLSTHVIVSD-CQSZACIVSA-N 1 2 336.819 2.330 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000188112313 464202562 /nfs/dbraw/zinc/20/25/62/464202562.db2.gz QWBSXJVIKBBZHG-QUCCMNQESA-N 1 2 346.471 2.405 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000280715904 464239171 /nfs/dbraw/zinc/23/91/71/464239171.db2.gz IIBDBXJYAZOISH-MPGHIAIKSA-N 1 2 332.448 2.221 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000280715904 464239178 /nfs/dbraw/zinc/23/91/78/464239178.db2.gz IIBDBXJYAZOISH-MPGHIAIKSA-N 1 2 332.448 2.221 20 30 EEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000280719446 464239368 /nfs/dbraw/zinc/23/93/68/464239368.db2.gz BYNMNMVNLXZXKX-YJBOKZPZSA-N 1 2 331.464 2.484 20 30 EEEDLO CN(C)[C@H](C(=O)Nc1cccc(OCCCC#N)c1)c1c[nH+]cn1C ZINC000280784017 464252912 /nfs/dbraw/zinc/25/29/12/464252912.db2.gz CTWSYYHGGRVCNR-KRWDZBQOSA-N 1 2 341.415 2.344 20 30 EEEDLO CC(=O)Nc1ccc(CC/[NH+]=C/c2c(CO)cnc(C)c2O)cc1 ZINC000264100084 464284090 /nfs/dbraw/zinc/28/40/90/464284090.db2.gz YTQVYRXYGHUIOP-VXLYETTFSA-N 1 2 327.384 2.208 20 30 EEEDLO N#CCCCC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000292856522 464364429 /nfs/dbraw/zinc/36/44/29/464364429.db2.gz CDURDQUACJOXOZ-HNNXBMFYSA-N 1 2 328.416 2.355 20 30 EEEDLO C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@H](C2CC2)O1 ZINC000329891142 465464316 /nfs/dbraw/zinc/46/43/16/465464316.db2.gz HKBXXBBNLSXVNF-RPVQJOFSSA-N 1 2 330.428 2.446 20 30 EEEDLO C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@H](C2CC2)O1 ZINC000329891142 465464322 /nfs/dbraw/zinc/46/43/22/465464322.db2.gz HKBXXBBNLSXVNF-RPVQJOFSSA-N 1 2 330.428 2.446 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000293031205 464383162 /nfs/dbraw/zinc/38/31/62/464383162.db2.gz GGBRIHUPVRCGIH-UHFFFAOYSA-N 1 2 329.263 2.424 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000293031205 464383170 /nfs/dbraw/zinc/38/31/70/464383170.db2.gz GGBRIHUPVRCGIH-UHFFFAOYSA-N 1 2 329.263 2.424 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(c3cccc(Cl)c3)C2=O)C1=O ZINC000281256659 464388842 /nfs/dbraw/zinc/38/88/42/464388842.db2.gz HERJWSJGDWXPTR-HOTGVXAUSA-N 1 2 347.846 2.164 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(c3cccc(Cl)c3)C2=O)C1=O ZINC000281256659 464388846 /nfs/dbraw/zinc/38/88/46/464388846.db2.gz HERJWSJGDWXPTR-HOTGVXAUSA-N 1 2 347.846 2.164 20 30 EEEDLO C#CCN(C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000293165675 464389964 /nfs/dbraw/zinc/38/99/64/464389964.db2.gz XKMQPONZKCBPIC-UHFFFAOYSA-N 1 2 349.232 2.222 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1=O ZINC000281265981 464393524 /nfs/dbraw/zinc/39/35/24/464393524.db2.gz HSPQQNBWLDOPTF-SWLSCSKDSA-N 1 2 335.835 2.386 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1=O ZINC000281265981 464393529 /nfs/dbraw/zinc/39/35/29/464393529.db2.gz HSPQQNBWLDOPTF-SWLSCSKDSA-N 1 2 335.835 2.386 20 30 EEEDLO CC(C)(C)c1nnc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)[nH]1 ZINC000293228665 464394717 /nfs/dbraw/zinc/39/47/17/464394717.db2.gz HCUVIAJTSLOGNA-ZDUSSCGKSA-N 1 2 326.404 2.022 20 30 EEEDLO CC(C)(C)c1nnc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)[nH]1 ZINC000293228665 464394723 /nfs/dbraw/zinc/39/47/23/464394723.db2.gz HCUVIAJTSLOGNA-ZDUSSCGKSA-N 1 2 326.404 2.022 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000293471774 464406568 /nfs/dbraw/zinc/40/65/68/464406568.db2.gz XKPUDWWOJIUYGU-MOPGFXCFSA-N 1 2 338.407 2.308 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000293471774 464406573 /nfs/dbraw/zinc/40/65/73/464406573.db2.gz XKPUDWWOJIUYGU-MOPGFXCFSA-N 1 2 338.407 2.308 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc3ccccc32)C1=O ZINC000281484884 464471883 /nfs/dbraw/zinc/47/18/83/464471883.db2.gz WVTOGBVEAOVAFD-GOSISDBHSA-N 1 2 337.423 2.497 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc3ccccc32)C1=O ZINC000281484884 464471890 /nfs/dbraw/zinc/47/18/90/464471890.db2.gz WVTOGBVEAOVAFD-GOSISDBHSA-N 1 2 337.423 2.497 20 30 EEEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2cccc(C#N)c2)C1 ZINC000285165523 464473655 /nfs/dbraw/zinc/47/36/55/464473655.db2.gz ATTQRXQARSHMAA-UHFFFAOYSA-N 1 2 341.436 2.063 20 30 EEEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2cccc(C#N)c2)C1 ZINC000285165523 464473663 /nfs/dbraw/zinc/47/36/63/464473663.db2.gz ATTQRXQARSHMAA-UHFFFAOYSA-N 1 2 341.436 2.063 20 30 EEEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCCC(C)(C)C#N)cn2)n1 ZINC000272140396 464493037 /nfs/dbraw/zinc/49/30/37/464493037.db2.gz UMHMGFPYKVEATN-UHFFFAOYSA-N 1 2 326.404 2.461 20 30 EEEDLO COc1cc(C[NH+]2CCN(C[C@H](C#N)CCC#N)CC2)cc(OC)c1 ZINC000175446350 464551303 /nfs/dbraw/zinc/55/13/03/464551303.db2.gz KOHUKXPTVPYULP-INIZCTEOSA-N 1 2 342.443 2.265 20 30 EEEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccccc2C#N)C1 ZINC000285423231 464558481 /nfs/dbraw/zinc/55/84/81/464558481.db2.gz VWLZYABFMNSNCU-UHFFFAOYSA-N 1 2 341.436 2.063 20 30 EEEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccccc2C#N)C1 ZINC000285423231 464558484 /nfs/dbraw/zinc/55/84/84/464558484.db2.gz VWLZYABFMNSNCU-UHFFFAOYSA-N 1 2 341.436 2.063 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000246219446 464559370 /nfs/dbraw/zinc/55/93/70/464559370.db2.gz YLKPZXWNWRYBAO-WFASDCNBSA-N 1 2 335.835 2.068 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000246219446 464559375 /nfs/dbraw/zinc/55/93/75/464559375.db2.gz YLKPZXWNWRYBAO-WFASDCNBSA-N 1 2 335.835 2.068 20 30 EEEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(Cc3ccc(OCC#N)cc3)n2)C1 ZINC000272683286 464685368 /nfs/dbraw/zinc/68/53/68/464685368.db2.gz SHQVLBWOPYVBTQ-MRXNPFEDSA-N 1 2 342.399 2.344 20 30 EEEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(Cc3ccc(OCC#N)cc3)n2)C1 ZINC000272683286 464685371 /nfs/dbraw/zinc/68/53/71/464685371.db2.gz SHQVLBWOPYVBTQ-MRXNPFEDSA-N 1 2 342.399 2.344 20 30 EEEDLO CCOCC[NH+]1CCN(C(=O)c2cccc(SCC#N)c2)CC1 ZINC000176048633 464686850 /nfs/dbraw/zinc/68/68/50/464686850.db2.gz PYBUABIYGPCPDR-UHFFFAOYSA-N 1 2 333.457 2.097 20 30 EEEDLO C[C@H](C#N)CNC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000182706055 464713293 /nfs/dbraw/zinc/71/32/93/464713293.db2.gz KVGSKASRBSLXQN-OAHLLOKOSA-N 1 2 325.416 2.475 20 30 EEEDLO C=CCOc1ccc(CC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000295169917 464731238 /nfs/dbraw/zinc/73/12/38/464731238.db2.gz AKCJMVWSAITQEH-SJLPKXTDSA-N 1 2 344.455 2.116 20 30 EEEDLO COc1ccc(C)cc1NC(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000266219632 464768868 /nfs/dbraw/zinc/76/88/68/464768868.db2.gz QXBJIJXGIWRAHH-CYBMUJFWSA-N 1 2 337.420 2.292 20 30 EEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCCCS(=O)(=O)c1ccccc1 ZINC000266205010 464769376 /nfs/dbraw/zinc/76/93/76/464769376.db2.gz MMLHOYYYMCGQSO-CQSZACIVSA-N 1 2 342.461 2.200 20 30 EEEDLO C=CCn1c(C)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000282320657 464776024 /nfs/dbraw/zinc/77/60/24/464776024.db2.gz QDYFCJMPZYXBRI-UHFFFAOYSA-N 1 2 345.422 2.242 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000248972253 464825221 /nfs/dbraw/zinc/82/52/21/464825221.db2.gz CUKJAYKWDJHPPM-HUUCEWRRSA-N 1 2 332.423 2.097 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000248972253 464825224 /nfs/dbraw/zinc/82/52/24/464825224.db2.gz CUKJAYKWDJHPPM-HUUCEWRRSA-N 1 2 332.423 2.097 20 30 EEEDLO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000250477075 464930560 /nfs/dbraw/zinc/93/05/60/464930560.db2.gz RRYWGTCFCJQYGO-CZUORRHYSA-N 1 2 344.415 2.096 20 30 EEEDLO CCOC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000250477075 464930563 /nfs/dbraw/zinc/93/05/63/464930563.db2.gz RRYWGTCFCJQYGO-CZUORRHYSA-N 1 2 344.415 2.096 20 30 EEEDLO CC#CC[N@@H+](C)[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000339765086 465498024 /nfs/dbraw/zinc/49/80/24/465498024.db2.gz ZYZYOKBCCZYNBZ-LLVKDONJSA-N 1 2 347.440 2.486 20 30 EEEDLO CC#CC[N@H+](C)[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000339765086 465498032 /nfs/dbraw/zinc/49/80/32/465498032.db2.gz ZYZYOKBCCZYNBZ-LLVKDONJSA-N 1 2 347.440 2.486 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329462683 465341617 /nfs/dbraw/zinc/34/16/17/465341617.db2.gz SYJHJJNUNZCKEH-WFASDCNBSA-N 1 2 348.834 2.205 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329462683 465341620 /nfs/dbraw/zinc/34/16/20/465341620.db2.gz SYJHJJNUNZCKEH-WFASDCNBSA-N 1 2 348.834 2.205 20 30 EEEDLO O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)N1CCn2c[nH+]cc2C1 ZINC000329545383 465366262 /nfs/dbraw/zinc/36/62/62/465366262.db2.gz GQLIDIHFWPNRGW-HNNXBMFYSA-N 1 2 343.406 2.421 20 30 EEEDLO Cc1cc2c(cc1NC(=O)N1CC[C@H](c3[nH+]ccn3C)C1)OCO2 ZINC000329714983 465413559 /nfs/dbraw/zinc/41/35/59/465413559.db2.gz UHTMFWOLENOQTK-LBPRGKRZSA-N 1 2 328.372 2.492 20 30 EEEDLO Cc1noc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n1 ZINC000348097416 465420101 /nfs/dbraw/zinc/42/01/01/465420101.db2.gz VIDHDSINIGSBQX-UDRCLVEDSA-N 1 2 333.436 2.348 20 30 EEEDLO C=C(C)CN(C)C(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000339663253 465428154 /nfs/dbraw/zinc/42/81/54/465428154.db2.gz CWWOHCFAZQSBPF-OAHLLOKOSA-N 1 2 337.851 2.093 20 30 EEEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cnn(C)c2C#N)c(C)c1 ZINC000356524207 465435555 /nfs/dbraw/zinc/43/55/55/465435555.db2.gz YLVSBJKSPWZLLV-KRWDZBQOSA-N 1 2 348.410 2.276 20 30 EEEDLO C[NH+](C)Cc1csc(NS(=O)(=O)c2cccc(CC#N)c2)n1 ZINC000591260802 468433970 /nfs/dbraw/zinc/43/39/70/468433970.db2.gz NJVRVLWBGSIDIU-UHFFFAOYSA-N 1 2 336.442 2.072 20 30 EEEDLO O=C(NC[C@H]1COc2ccccc2O1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329929167 465477012 /nfs/dbraw/zinc/47/70/12/465477012.db2.gz NFSNFNSVBVDRJN-AWEZNQCLSA-N 1 2 342.399 2.343 20 30 EEEDLO O=C(NC[C@H]1COc2ccccc2O1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329929167 465477015 /nfs/dbraw/zinc/47/70/15/465477015.db2.gz NFSNFNSVBVDRJN-AWEZNQCLSA-N 1 2 342.399 2.343 20 30 EEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)C1(O)CCCC1 ZINC000329980478 465495822 /nfs/dbraw/zinc/49/58/22/465495822.db2.gz LLSNRBLSCPBHDK-KBPBESRZSA-N 1 2 339.411 2.465 20 30 EEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)C1(O)CCCC1 ZINC000329980478 465495830 /nfs/dbraw/zinc/49/58/30/465495830.db2.gz LLSNRBLSCPBHDK-KBPBESRZSA-N 1 2 339.411 2.465 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)NCC2CCCCC2)cc1OC ZINC000298771557 465500066 /nfs/dbraw/zinc/50/00/66/465500066.db2.gz SZUDFZPHHQEQGB-UHFFFAOYSA-N 1 2 349.431 2.037 20 30 EEEDLO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C#N)CC3)C2=O)cc1Cl ZINC000352279763 465512694 /nfs/dbraw/zinc/51/26/94/465512694.db2.gz POYPVOVBNJEILJ-CQSZACIVSA-N 1 2 347.802 2.216 20 30 EEEDLO Cc1cccc(OCCNC(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352484852 465532862 /nfs/dbraw/zinc/53/28/62/465532862.db2.gz UXCUSIYCNVPSMY-HNNXBMFYSA-N 1 2 333.407 2.206 20 30 EEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000352818346 465558791 /nfs/dbraw/zinc/55/87/91/465558791.db2.gz UOMCAOAYYVFIDA-ZDUSSCGKSA-N 1 2 333.388 2.474 20 30 EEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000352818346 465558793 /nfs/dbraw/zinc/55/87/93/465558793.db2.gz UOMCAOAYYVFIDA-ZDUSSCGKSA-N 1 2 333.388 2.474 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548610338 468439977 /nfs/dbraw/zinc/43/99/77/468439977.db2.gz IEXFTLFAPXYIED-HNNXBMFYSA-N 1 2 326.400 2.262 20 30 EEEDLO CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000330337083 465618814 /nfs/dbraw/zinc/61/88/14/465618814.db2.gz SXYLWUMSNNHZSA-GRDNDAEWSA-N 1 2 343.431 2.396 20 30 EEEDLO Cc1c(C#N)cccc1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000337867508 465641669 /nfs/dbraw/zinc/64/16/69/465641669.db2.gz OTWDKZQDHBJNFU-KRWDZBQOSA-N 1 2 327.428 2.194 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000330684561 465761186 /nfs/dbraw/zinc/76/11/86/465761186.db2.gz SRMIBPXKOZTZTH-POAQFYNOSA-N 1 2 343.471 2.373 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000330684561 465761190 /nfs/dbraw/zinc/76/11/90/465761190.db2.gz SRMIBPXKOZTZTH-POAQFYNOSA-N 1 2 343.471 2.373 20 30 EEEDLO C=CCOc1cccc(CN2CC[NH+](Cc3cnn(C)c3)CC2)c1 ZINC000353433349 465878561 /nfs/dbraw/zinc/87/85/61/465878561.db2.gz GELCQIZOHOBPAK-UHFFFAOYSA-N 1 2 326.444 2.303 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000362808593 466044451 /nfs/dbraw/zinc/04/44/51/466044451.db2.gz LEFGDMOQOFRDMQ-MOPGFXCFSA-N 1 2 344.455 2.191 20 30 EEEDLO C=C(C)Cn1c(CC)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000555288569 468469452 /nfs/dbraw/zinc/46/94/52/468469452.db2.gz WARUVDHDROJIDE-UHFFFAOYSA-N 1 2 330.436 2.035 20 30 EEEDLO CC[C@H](C#N)N(C)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000594087962 468481685 /nfs/dbraw/zinc/48/16/85/468481685.db2.gz JSAHTTJIVQJDIG-MRXNPFEDSA-N 1 2 339.399 2.286 20 30 EEEDLO Cc1nc(NCc2cccc(C(=O)N[C@]3(C#N)CC3(C)C)c2)cc[nH+]1 ZINC000555625291 468487212 /nfs/dbraw/zinc/48/72/12/468487212.db2.gz JATFGIQOXGXEDW-IBGZPJMESA-N 1 2 335.411 2.819 20 30 EEEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)c1F ZINC000340875121 466403103 /nfs/dbraw/zinc/40/31/03/466403103.db2.gz QOQIXXZUHTZJRD-UHFFFAOYSA-N 1 2 338.386 2.118 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC3(C(F)F)CC3)CC2)cc1 ZINC000350252031 466439861 /nfs/dbraw/zinc/43/98/61/466439861.db2.gz MROPIOSZZDJHIB-UHFFFAOYSA-N 1 2 348.397 2.431 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NCC2CCC(C#N)CC2)CCO1 ZINC000333057888 466602719 /nfs/dbraw/zinc/60/27/19/466602719.db2.gz ICARONKDVSENOB-NDTCATRNSA-N 1 2 345.447 2.269 20 30 EEEDLO CCOC(=O)[C@@H](CC(C)C)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000374617100 466693171 /nfs/dbraw/zinc/69/31/71/466693171.db2.gz AQGFJVRNWXMIGD-QGZVFWFLSA-N 1 2 330.432 2.053 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369215307 466719327 /nfs/dbraw/zinc/71/93/27/466719327.db2.gz PBCVIIVCCJCKJL-UHFFFAOYSA-N 1 2 326.444 2.363 20 30 EEEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000416722785 466747358 /nfs/dbraw/zinc/74/73/58/466747358.db2.gz BGYRWGSBWNRMBK-UHFFFAOYSA-N 1 2 336.823 2.444 20 30 EEEDLO Cc1cc(C)c(NC(=O)C(=O)NCCc2cccc(C#N)c2)c(C)[nH+]1 ZINC000411497269 466836408 /nfs/dbraw/zinc/83/64/08/466836408.db2.gz ZTOMSGBBIFPASX-UHFFFAOYSA-N 1 2 336.395 2.176 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412033114 466971293 /nfs/dbraw/zinc/97/12/93/466971293.db2.gz IMERIRZJGFWELE-SDDRHHMPSA-N 1 2 333.457 2.138 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412033114 466971300 /nfs/dbraw/zinc/97/13/00/466971300.db2.gz IMERIRZJGFWELE-SDDRHHMPSA-N 1 2 333.457 2.138 20 30 EEEDLO Cc1cc(NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c(C#N)c[nH+]1 ZINC000425248618 467090420 /nfs/dbraw/zinc/09/04/20/467090420.db2.gz AJOVMVYDIYJTKW-UHFFFAOYSA-N 1 2 343.818 2.382 20 30 EEEDLO N#CCOc1ccc(CC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000377612871 467096158 /nfs/dbraw/zinc/09/61/58/467096158.db2.gz AKEFLWXWDJICJN-UHFFFAOYSA-N 1 2 347.378 2.029 20 30 EEEDLO C=CCC[C@H]1NC(=O)N(C[C@@H](c2cccs2)[NH+]2CCOCC2)C1=O ZINC000419912774 467265886 /nfs/dbraw/zinc/26/58/86/467265886.db2.gz KCBYHIBZOUUJHL-KGLIPLIRSA-N 1 2 349.456 2.008 20 30 EEEDLO C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+](C)CC(C)(C)C#N ZINC000433287578 467314741 /nfs/dbraw/zinc/31/47/41/467314741.db2.gz LSXDZGTVWLUAQB-HNNXBMFYSA-N 1 2 346.450 2.344 20 30 EEEDLO C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+](C)CC(C)(C)C#N ZINC000433287578 467314744 /nfs/dbraw/zinc/31/47/44/467314744.db2.gz LSXDZGTVWLUAQB-HNNXBMFYSA-N 1 2 346.450 2.344 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)OC(C)(C)CC2=O ZINC000414145555 467383105 /nfs/dbraw/zinc/38/31/05/467383105.db2.gz PJTLSRHDAQTEQD-CYBMUJFWSA-N 1 2 332.400 2.016 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc2c(c1)OC(C)(C)CC2=O ZINC000414145555 467383110 /nfs/dbraw/zinc/38/31/10/467383110.db2.gz PJTLSRHDAQTEQD-CYBMUJFWSA-N 1 2 332.400 2.016 20 30 EEEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000407990274 467491303 /nfs/dbraw/zinc/49/13/03/467491303.db2.gz MVYQARPPQHXCRA-VXGBXAGGSA-N 1 2 334.401 2.106 20 30 EEEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000408155729 467519463 /nfs/dbraw/zinc/51/94/63/467519463.db2.gz SYRXHFCDGVZKQA-RYUDHWBXSA-N 1 2 341.864 2.315 20 30 EEEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000408155729 467519464 /nfs/dbraw/zinc/51/94/64/467519464.db2.gz SYRXHFCDGVZKQA-RYUDHWBXSA-N 1 2 341.864 2.315 20 30 EEEDLO COC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000525251522 467641970 /nfs/dbraw/zinc/64/19/70/467641970.db2.gz BJCYZDDPTGHMKP-GOSISDBHSA-N 1 2 344.459 2.056 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)CCC1 ZINC000527127941 467654621 /nfs/dbraw/zinc/65/46/21/467654621.db2.gz DGKYJOGFEMCPBK-HNNXBMFYSA-N 1 2 341.411 2.157 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)CCC1 ZINC000527127941 467654626 /nfs/dbraw/zinc/65/46/26/467654626.db2.gz DGKYJOGFEMCPBK-HNNXBMFYSA-N 1 2 341.411 2.157 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)c(F)c2)C1=O ZINC000528494587 467687630 /nfs/dbraw/zinc/68/76/30/467687630.db2.gz KBYPETOLHRPUMR-CQSZACIVSA-N 1 2 339.798 2.136 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)c(F)c2)C1=O ZINC000528494587 467687632 /nfs/dbraw/zinc/68/76/32/467687632.db2.gz KBYPETOLHRPUMR-CQSZACIVSA-N 1 2 339.798 2.136 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528596329 467709835 /nfs/dbraw/zinc/70/98/35/467709835.db2.gz ZFEHINXWZJNPAZ-UHFFFAOYSA-N 1 2 328.460 2.333 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528596329 467709840 /nfs/dbraw/zinc/70/98/40/467709840.db2.gz ZFEHINXWZJNPAZ-UHFFFAOYSA-N 1 2 328.460 2.333 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1ccc(Br)o1 ZINC000493052769 467829228 /nfs/dbraw/zinc/82/92/28/467829228.db2.gz QJXBZQBOUJMWFZ-IYNGYCSASA-N 1 2 326.194 2.015 20 30 EEEDLO C=CCOc1ccc(/C=C\C(=O)NCCc2cn(C)c[nH+]2)cc1OC ZINC000493363425 467895983 /nfs/dbraw/zinc/89/59/83/467895983.db2.gz CEKOPYNJUHSNJZ-VURMDHGXSA-N 1 2 341.411 2.366 20 30 EEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)C1 ZINC000459004430 467935423 /nfs/dbraw/zinc/93/54/23/467935423.db2.gz GINQDWLLNVMIFS-JYJNAYRXSA-N 1 2 329.448 2.467 20 30 EEEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCn1cc[nH+]c1 ZINC000505754877 467939869 /nfs/dbraw/zinc/93/98/69/467939869.db2.gz BAKOKSJPUSNHEX-UHFFFAOYSA-N 1 2 330.436 2.448 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(NC(=O)c2ccco2)cc1 ZINC000516965930 468060468 /nfs/dbraw/zinc/06/04/68/468060468.db2.gz RIFFUNXUXRPUTH-INIZCTEOSA-N 1 2 342.399 2.150 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(NC(=O)c2ccco2)cc1 ZINC000516965930 468060470 /nfs/dbraw/zinc/06/04/70/468060470.db2.gz RIFFUNXUXRPUTH-INIZCTEOSA-N 1 2 342.399 2.150 20 30 EEEDLO C=CCn1c(C(C)C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000548948119 468162110 /nfs/dbraw/zinc/16/21/10/468162110.db2.gz QHLQZRRGKOEFGA-UHFFFAOYSA-N 1 2 330.436 2.206 20 30 EEEDLO N#CCc1cccc(S(=O)(=O)Nc2ccnn2-c2cc[nH+]cc2)c1 ZINC000589586923 468163893 /nfs/dbraw/zinc/16/38/93/468163893.db2.gz PQRACYANERJYII-UHFFFAOYSA-N 1 2 339.380 2.134 20 30 EEEDLO C=C(CC)CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000576561452 468168378 /nfs/dbraw/zinc/16/83/78/468168378.db2.gz JHIPKCFAPDDLHQ-HNNXBMFYSA-N 1 2 336.505 2.302 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000589827877 468186680 /nfs/dbraw/zinc/18/66/80/468186680.db2.gz VJXZXFUXMCOPHC-OAHLLOKOSA-N 1 2 332.385 2.383 20 30 EEEDLO C=CC1CC[NH+]([C@H]2CC(=O)N(c3ccsc3C(=O)OC)C2=O)CC1 ZINC000556582652 468535404 /nfs/dbraw/zinc/53/54/04/468535404.db2.gz TZGPTBNLBBXZJD-ZDUSSCGKSA-N 1 2 348.424 2.065 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000592140206 468635965 /nfs/dbraw/zinc/63/59/65/468635965.db2.gz UZYGAXQBLFMZGA-KRWDZBQOSA-N 1 2 341.436 2.216 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000592140206 468635968 /nfs/dbraw/zinc/63/59/68/468635968.db2.gz UZYGAXQBLFMZGA-KRWDZBQOSA-N 1 2 341.436 2.216 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147507 468638369 /nfs/dbraw/zinc/63/83/69/468638369.db2.gz PIACAYZKJWMGNC-NHYWBVRUSA-N 1 2 341.333 2.383 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147507 468638372 /nfs/dbraw/zinc/63/83/72/468638372.db2.gz PIACAYZKJWMGNC-NHYWBVRUSA-N 1 2 341.333 2.383 20 30 EEEDLO N#CCC1(Cn2cc(C[NH+]3CCN(c4ccccc4)CC3)nn2)CC1 ZINC000594651167 468643831 /nfs/dbraw/zinc/64/38/31/468643831.db2.gz GMEGXNRPGHSZOX-UHFFFAOYSA-N 1 2 336.443 2.294 20 30 EEEDLO COc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc(OC)c1C(C)C ZINC000583384375 468690261 /nfs/dbraw/zinc/69/02/61/468690261.db2.gz QPYHOQSHRWYRIP-GOSISDBHSA-N 1 2 333.432 2.401 20 30 EEEDLO Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592522978 468720036 /nfs/dbraw/zinc/72/00/36/468720036.db2.gz UYIMJIHCOIZQDC-HNNXBMFYSA-N 1 2 338.333 2.443 20 30 EEEDLO Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592522978 468720039 /nfs/dbraw/zinc/72/00/39/468720039.db2.gz UYIMJIHCOIZQDC-HNNXBMFYSA-N 1 2 338.333 2.443 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000560300225 468778866 /nfs/dbraw/zinc/77/88/66/468778866.db2.gz KMZAPTCNKPXKBE-UHFFFAOYSA-N 1 2 346.456 2.056 20 30 EEEDLO Cc1cc(NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C#N)c[nH+]1 ZINC000601258265 468802072 /nfs/dbraw/zinc/80/20/72/468802072.db2.gz BOVWKEAVVNDYEX-LBPRGKRZSA-N 1 2 329.425 2.303 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000571830750 468845384 /nfs/dbraw/zinc/84/53/84/468845384.db2.gz GUYBRRAPLVAAAX-UONOGXRCSA-N 1 2 346.406 2.015 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000571830750 468845389 /nfs/dbraw/zinc/84/53/89/468845389.db2.gz GUYBRRAPLVAAAX-UONOGXRCSA-N 1 2 346.406 2.015 20 30 EEEDLO CCN1CC[C@H]([NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000595470437 468866136 /nfs/dbraw/zinc/86/61/36/468866136.db2.gz VTWNNWOPQFKESE-DLBZAZTESA-N 1 2 346.862 2.143 20 30 EEEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000601431541 468869688 /nfs/dbraw/zinc/86/96/88/468869688.db2.gz PLXKJUXGXFKUGU-GWCFXTLKSA-N 1 2 334.376 2.187 20 30 EEEDLO C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1[nH+]ccn1C ZINC000598464680 468874805 /nfs/dbraw/zinc/87/48/05/468874805.db2.gz LIQXITPEDSWBFK-CYBMUJFWSA-N 1 2 339.399 2.278 20 30 EEEDLO Cc1ccc(Br)cc1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572367653 468923663 /nfs/dbraw/zinc/92/36/63/468923663.db2.gz DKFHGKJUKFLAEN-OAHLLOKOSA-N 1 2 338.249 2.260 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1F ZINC000562318254 468936192 /nfs/dbraw/zinc/93/61/92/468936192.db2.gz QWBLCBLSTSNQGD-UHFFFAOYSA-N 1 2 341.346 2.323 20 30 EEEDLO CC[C@@H](C#N)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000593424850 468973314 /nfs/dbraw/zinc/97/33/14/468973314.db2.gz SRKKPPLCAAYCAI-ZDUSSCGKSA-N 1 2 345.834 2.182 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)n1 ZINC000602706245 469023447 /nfs/dbraw/zinc/02/34/47/469023447.db2.gz JLCWMFJSLLFMAN-UXHICEINSA-N 1 2 334.423 2.038 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)n1 ZINC000602706245 469023455 /nfs/dbraw/zinc/02/34/55/469023455.db2.gz JLCWMFJSLLFMAN-UXHICEINSA-N 1 2 334.423 2.038 20 30 EEEDLO N#Cc1cccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)n1 ZINC000602706245 469023462 /nfs/dbraw/zinc/02/34/62/469023462.db2.gz JLCWMFJSLLFMAN-UXHICEINSA-N 1 2 334.423 2.038 20 30 EEEDLO N#Cc1cccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)n1 ZINC000602706245 469023469 /nfs/dbraw/zinc/02/34/69/469023469.db2.gz JLCWMFJSLLFMAN-UXHICEINSA-N 1 2 334.423 2.038 20 30 EEEDLO Cc1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)nn1CCC#N ZINC000572972223 469032806 /nfs/dbraw/zinc/03/28/06/469032806.db2.gz SAMFIAIMTCYYTK-MRXNPFEDSA-N 1 2 345.834 3.000 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000610777507 469068856 /nfs/dbraw/zinc/06/88/56/469068856.db2.gz NXSCUIIUBIFKFV-SFHVURJKSA-N 1 2 345.406 2.491 20 30 EEEDLO C[C@@H]1CN(c2ccc(CNC(=O)CCCCCC#N)c[nH+]2)CCO1 ZINC000588151783 469122930 /nfs/dbraw/zinc/12/29/30/469122930.db2.gz VUSCIBBTDQSPIE-OAHLLOKOSA-N 1 2 330.432 2.397 20 30 EEEDLO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@@H](C)CC#N)C[C@H](C)CC2 ZINC000602871187 469131372 /nfs/dbraw/zinc/13/13/72/469131372.db2.gz YXFHEIQXDVLEOE-MNOVXSKESA-N 1 2 349.456 2.490 20 30 EEEDLO C=C1CCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000564463273 469254163 /nfs/dbraw/zinc/25/41/63/469254163.db2.gz RLMKCTRSXJKQKL-QGZVFWFLSA-N 1 2 344.459 2.196 20 30 EEEDLO C=C1CCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000564463273 469254168 /nfs/dbraw/zinc/25/41/68/469254168.db2.gz RLMKCTRSXJKQKL-QGZVFWFLSA-N 1 2 344.459 2.196 20 30 EEEDLO CN(CC(C)(C)C#N)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000602401219 469304179 /nfs/dbraw/zinc/30/41/79/469304179.db2.gz KLASFMDFIQPKQE-UHFFFAOYSA-N 1 2 347.488 2.326 20 30 EEEDLO N#CCC[N@@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)CC1CC1 ZINC000602460726 469326103 /nfs/dbraw/zinc/32/61/03/469326103.db2.gz BIXWAIXLGHBZDP-UHFFFAOYSA-N 1 2 327.837 2.113 20 30 EEEDLO N#CCC[N@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)CC1CC1 ZINC000602460726 469326106 /nfs/dbraw/zinc/32/61/06/469326106.db2.gz BIXWAIXLGHBZDP-UHFFFAOYSA-N 1 2 327.837 2.113 20 30 EEEDLO C=CC[C@@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000604912292 469526202 /nfs/dbraw/zinc/52/62/02/469526202.db2.gz RQDGQVLELRXBGL-HUUCEWRRSA-N 1 2 336.505 2.300 20 30 EEEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2cccc(CC#N)c2)C1 ZINC000619493770 469624743 /nfs/dbraw/zinc/62/47/43/469624743.db2.gz TXBRZKHNTUUXRS-SFHVURJKSA-N 1 2 341.436 2.218 20 30 EEEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2cccc(CC#N)c2)C1 ZINC000619493770 469624746 /nfs/dbraw/zinc/62/47/46/469624746.db2.gz TXBRZKHNTUUXRS-SFHVURJKSA-N 1 2 341.436 2.218 20 30 EEEDLO C=C[C@H]([NH2+]CCCc1cc2c(cc(OC)cc2OC)[nH]1)C(=O)OC ZINC000619702331 469667073 /nfs/dbraw/zinc/66/70/73/469667073.db2.gz LDFYTKMBTHMLPW-HNNXBMFYSA-N 1 2 332.400 2.435 20 30 EEEDLO CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c[nH+]1 ZINC000609101150 469890064 /nfs/dbraw/zinc/89/00/64/469890064.db2.gz IZXWESFOIOBITF-SFHVURJKSA-N 1 2 349.438 2.304 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCO[C@@H](c2ccccc2)C1)C1CC1 ZINC000609234239 469904141 /nfs/dbraw/zinc/90/41/41/469904141.db2.gz NYXJFWXGTZNYLY-MJGOQNOKSA-N 1 2 327.428 2.258 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCO[C@@H](c2ccccc2)C1)C1CC1 ZINC000609234239 469904144 /nfs/dbraw/zinc/90/41/44/469904144.db2.gz NYXJFWXGTZNYLY-MJGOQNOKSA-N 1 2 327.428 2.258 20 30 EEEDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609485709 469932750 /nfs/dbraw/zinc/93/27/50/469932750.db2.gz VQBFHWPKIAGLDQ-KURKYZTESA-N 1 2 334.508 2.332 20 30 EEEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000610079695 469979745 /nfs/dbraw/zinc/97/97/45/469979745.db2.gz GGJMNJTTWSTWSG-ZDUSSCGKSA-N 1 2 327.306 2.150 20 30 EEEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000610079695 469979748 /nfs/dbraw/zinc/97/97/48/469979748.db2.gz GGJMNJTTWSTWSG-ZDUSSCGKSA-N 1 2 327.306 2.150 20 30 EEEDLO C[C@@H](C[NH+]1CCOCC1)Nc1c(C#N)cnc2ccc(Cl)cc21 ZINC000610274997 469998656 /nfs/dbraw/zinc/99/86/56/469998656.db2.gz SIQJOBDAYQOILT-LBPRGKRZSA-N 1 2 330.819 2.314 20 30 EEEDLO Cc1cccc(C[N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)n1 ZINC000625254088 470105935 /nfs/dbraw/zinc/10/59/35/470105935.db2.gz HYLVNDKRJIDKLM-UHFFFAOYSA-N 1 2 333.391 2.121 20 30 EEEDLO Cc1cccc(C[N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)n1 ZINC000625254088 470105938 /nfs/dbraw/zinc/10/59/38/470105938.db2.gz HYLVNDKRJIDKLM-UHFFFAOYSA-N 1 2 333.391 2.121 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ccc(SC)cc2)nn1 ZINC000640921595 471121242 /nfs/dbraw/zinc/12/12/42/471121242.db2.gz VYKHVZLORRNUKJ-ZDUSSCGKSA-N 1 2 343.456 2.313 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2coc(-c3ccc(OC)cc3)n2)nn1 ZINC000640933917 471128169 /nfs/dbraw/zinc/12/81/69/471128169.db2.gz YOQUHWVSOCTZKB-UHFFFAOYSA-N 1 2 337.383 2.103 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2cnc[nH]2)c(OC)c1 ZINC000661084510 471616535 /nfs/dbraw/zinc/61/65/35/471616535.db2.gz NZWWUZXJAYKRSV-MRXNPFEDSA-N 1 2 331.416 2.019 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)Cc2cnc[nH]2)c(OC)c1 ZINC000661084510 471616539 /nfs/dbraw/zinc/61/65/39/471616539.db2.gz NZWWUZXJAYKRSV-MRXNPFEDSA-N 1 2 331.416 2.019 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2c[nH]cn2)c(OC)c1 ZINC000661084510 471616541 /nfs/dbraw/zinc/61/65/41/471616541.db2.gz NZWWUZXJAYKRSV-MRXNPFEDSA-N 1 2 331.416 2.019 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)Cc2c[nH]cn2)c(OC)c1 ZINC000661084510 471616542 /nfs/dbraw/zinc/61/65/42/471616542.db2.gz NZWWUZXJAYKRSV-MRXNPFEDSA-N 1 2 331.416 2.019 20 30 EEEDLO C=CCCNC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000665946431 472246884 /nfs/dbraw/zinc/24/68/84/472246884.db2.gz YOPNIUQRVCCTID-KRWDZBQOSA-N 1 2 331.460 2.495 20 30 EEEDLO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000680106481 485891401 /nfs/dbraw/zinc/89/14/01/485891401.db2.gz ZFXIRVCPVWJYPL-APWZRJJASA-N 1 2 346.427 2.263 20 30 EEEDLO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000680106481 485891410 /nfs/dbraw/zinc/89/14/10/485891410.db2.gz ZFXIRVCPVWJYPL-APWZRJJASA-N 1 2 346.427 2.263 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)C1=O ZINC000685001478 486061117 /nfs/dbraw/zinc/06/11/17/486061117.db2.gz JDSIOEVBQTZNHD-KXUCPTDWSA-N 1 2 330.272 2.446 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)C1=O ZINC000685001478 486061122 /nfs/dbraw/zinc/06/11/22/486061122.db2.gz JDSIOEVBQTZNHD-KXUCPTDWSA-N 1 2 330.272 2.446 20 30 EEEDLO CC#CCCNC(=O)N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000681538615 486267958 /nfs/dbraw/zinc/26/79/58/486267958.db2.gz GQZVUXOIXKRTHD-QGZVFWFLSA-N 1 2 349.862 2.114 20 30 EEEDLO Cc1oc(NC(=O)C[N@@H+]2CCSC3(CCOCC3)C2)c(C#N)c1C ZINC000186824753 534546177 /nfs/dbraw/zinc/54/61/77/534546177.db2.gz GNNMYEQSTYIUON-UHFFFAOYSA-N 1 2 349.456 2.305 20 30 EEEDLO Cc1oc(NC(=O)C[N@H+]2CCSC3(CCOCC3)C2)c(C#N)c1C ZINC000186824753 534546181 /nfs/dbraw/zinc/54/61/81/534546181.db2.gz GNNMYEQSTYIUON-UHFFFAOYSA-N 1 2 349.456 2.305 20 30 EEEDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)o1 ZINC000039265431 521473856 /nfs/dbraw/zinc/47/38/56/521473856.db2.gz PBIBQIKKTKGVMR-UHFFFAOYSA-N 1 2 340.383 2.045 20 30 EEEDLO N#CCC[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000366225702 534656245 /nfs/dbraw/zinc/65/62/45/534656245.db2.gz SOZQMDUZCIKLBQ-QZTJIDSGSA-N 1 2 342.443 2.194 20 30 EEEDLO N#CCC[C@@H](NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000366225702 534656251 /nfs/dbraw/zinc/65/62/51/534656251.db2.gz SOZQMDUZCIKLBQ-QZTJIDSGSA-N 1 2 342.443 2.194 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1 ZINC000339004469 526771707 /nfs/dbraw/zinc/77/17/07/526771707.db2.gz XCWOJSNMPMPHRI-QGZVFWFLSA-N 1 2 332.444 2.109 20 30 EEEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245898897 536878708 /nfs/dbraw/zinc/87/87/08/536878708.db2.gz KWMGVULSEBSROI-DOTOQJQBSA-N 1 2 336.457 2.354 20 30 EEEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245898897 536878716 /nfs/dbraw/zinc/87/87/16/536878716.db2.gz KWMGVULSEBSROI-DOTOQJQBSA-N 1 2 336.457 2.354 20 30 EEEDLO Cc1ccc2[nH+]c(CNC(=O)Cc3ccc(OCC#N)cc3)cn2c1 ZINC000732062795 577144978 /nfs/dbraw/zinc/14/49/78/577144978.db2.gz WXFROWNSUGAEAQ-UHFFFAOYSA-N 1 2 334.379 2.404 20 30 EEEDLO C=CC[N@@H+](CN1C(=O)N[C@@](C)(Cc2ccc(OC)cc2)C1=O)C1CC1 ZINC000771640979 577223058 /nfs/dbraw/zinc/22/30/58/577223058.db2.gz LDQXTLIZIANYBT-IBGZPJMESA-N 1 2 343.427 2.156 20 30 EEEDLO C=CC[N@H+](CN1C(=O)N[C@@](C)(Cc2ccc(OC)cc2)C1=O)C1CC1 ZINC000771640979 577223059 /nfs/dbraw/zinc/22/30/59/577223059.db2.gz LDQXTLIZIANYBT-IBGZPJMESA-N 1 2 343.427 2.156 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)cn1 ZINC000734444631 577297565 /nfs/dbraw/zinc/29/75/65/577297565.db2.gz QLRHOLPGMDPPDX-MRXNPFEDSA-N 1 2 329.350 2.374 20 30 EEEDLO C#C[C@@H]([NH2+]Cc1nc(-c2cc(F)c(F)c(F)c2)no1)[C@@H]1CCCO1 ZINC000775801866 577446296 /nfs/dbraw/zinc/44/62/96/577446296.db2.gz ZNSSCNJQRZIUIK-OLZOCXBDSA-N 1 2 337.301 2.424 20 30 EEEDLO C=CCNC(=S)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000765518087 577502418 /nfs/dbraw/zinc/50/24/18/577502418.db2.gz KJNZJUWERQOECA-LSDHHAIUSA-N 1 2 339.892 2.362 20 30 EEEDLO C=CCNC(=S)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000765518087 577502419 /nfs/dbraw/zinc/50/24/19/577502419.db2.gz KJNZJUWERQOECA-LSDHHAIUSA-N 1 2 339.892 2.362 20 30 EEEDLO N#Cc1ccc(SCC(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000767534539 577539054 /nfs/dbraw/zinc/53/90/54/577539054.db2.gz OEHCBPNFJXSRIX-GASCZTMLSA-N 1 2 332.425 2.057 20 30 EEEDLO N#Cc1ccc(SCC(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000767534539 577539055 /nfs/dbraw/zinc/53/90/55/577539055.db2.gz OEHCBPNFJXSRIX-GASCZTMLSA-N 1 2 332.425 2.057 20 30 EEEDLO CC(C)(C)OC(=O)Nc1ccc(C[NH+]2CCN(CC#N)CC2)cn1 ZINC000769297701 577574366 /nfs/dbraw/zinc/57/43/66/577574366.db2.gz HZZWLALHENDHAH-UHFFFAOYSA-N 1 2 331.420 2.070 20 30 EEEDLO C#CCNC(=S)N1CC[NH+]([C@H](C)c2nc3ccccc3s2)CC1 ZINC000758185475 577617864 /nfs/dbraw/zinc/61/78/64/577617864.db2.gz SGAOFYOJPIANNX-CYBMUJFWSA-N 1 2 344.509 2.483 20 30 EEEDLO CSc1nnc(C(C)(C)C)c(=O)n1N=C1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000753956859 577797543 /nfs/dbraw/zinc/79/75/43/577797543.db2.gz XNNHABAGHORHIA-JTQLQIEISA-N 1 2 335.477 2.118 20 30 EEEDLO CSc1nnc(C(C)(C)C)c(=O)n1N=C1C[C@H](C)[N@H+](C2CC2)C1 ZINC000753956859 577797544 /nfs/dbraw/zinc/79/75/44/577797544.db2.gz XNNHABAGHORHIA-JTQLQIEISA-N 1 2 335.477 2.118 20 30 EEEDLO CCOC(=O)[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)C1CCOCC1 ZINC000755192568 577821579 /nfs/dbraw/zinc/82/15/79/577821579.db2.gz OTDLXWLIMBYONJ-KRWDZBQOSA-N 1 2 332.400 2.015 20 30 EEEDLO CC[C@@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)CCS1 ZINC000744424433 577897593 /nfs/dbraw/zinc/89/75/93/577897593.db2.gz LFIFHFSRBXHROK-CYBMUJFWSA-N 1 2 328.441 2.247 20 30 EEEDLO CC[C@@H]1C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)CCS1 ZINC000744424433 577897594 /nfs/dbraw/zinc/89/75/94/577897594.db2.gz LFIFHFSRBXHROK-CYBMUJFWSA-N 1 2 328.441 2.247 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000737966448 578274827 /nfs/dbraw/zinc/27/48/27/578274827.db2.gz XIPYYVVHLBNWEH-WMZOPIPTSA-N 1 2 342.414 2.345 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000737966448 578274828 /nfs/dbraw/zinc/27/48/28/578274828.db2.gz XIPYYVVHLBNWEH-WMZOPIPTSA-N 1 2 342.414 2.345 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCCC[N@@H+]2Cc2ncccn2)nc1 ZINC000969121843 674602825 /nfs/dbraw/zinc/60/28/25/674602825.db2.gz PCSNLSSVNDFMDG-KRWDZBQOSA-N 1 2 349.438 2.028 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCCC[N@H+]2Cc2ncccn2)nc1 ZINC000969121843 674602827 /nfs/dbraw/zinc/60/28/27/674602827.db2.gz PCSNLSSVNDFMDG-KRWDZBQOSA-N 1 2 349.438 2.028 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCCC[N@@H+]2Cc2ncccn2)nc1 ZINC000969121844 674602872 /nfs/dbraw/zinc/60/28/72/674602872.db2.gz PCSNLSSVNDFMDG-QGZVFWFLSA-N 1 2 349.438 2.028 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCCC[N@H+]2Cc2ncccn2)nc1 ZINC000969121844 674602874 /nfs/dbraw/zinc/60/28/74/674602874.db2.gz PCSNLSSVNDFMDG-QGZVFWFLSA-N 1 2 349.438 2.028 20 30 EEEDLO Cc1nc(C[NH+]2CC([C@@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)sc1C ZINC000969463854 675059406 /nfs/dbraw/zinc/05/94/06/675059406.db2.gz WKJIOZBPHSNSOL-LLVKDONJSA-N 1 2 343.456 2.210 20 30 EEEDLO Cc1nc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccc(C#N)cc3F)C2)co1 ZINC000969529674 675090799 /nfs/dbraw/zinc/09/07/99/675090799.db2.gz MJDWBWOKYTUIRS-NSHDSACASA-N 1 2 342.374 2.244 20 30 EEEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC000969526563 675092688 /nfs/dbraw/zinc/09/26/88/675092688.db2.gz NEZHUIKVWVLAQU-LLVKDONJSA-N 1 2 343.818 2.185 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC000969584939 675117023 /nfs/dbraw/zinc/11/70/23/675117023.db2.gz ONYMSIUGYXKGKR-CYBMUJFWSA-N 1 2 330.388 2.232 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c[nH]cc2-c2cnn(C)c2)C1 ZINC000969656248 675150849 /nfs/dbraw/zinc/15/08/49/675150849.db2.gz FGPJIAPSFCTARV-GFCCVEGCSA-N 1 2 347.850 2.218 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2nc(C)c(C)o2)C1 ZINC000969685616 675167829 /nfs/dbraw/zinc/16/78/29/675167829.db2.gz YEDSOMQEVBIDHM-XYPHTWIQSA-N 1 2 347.459 2.209 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)ns1 ZINC001038193000 676056542 /nfs/dbraw/zinc/05/65/42/676056542.db2.gz BLRINJXRIFBJIW-HNNXBMFYSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)ns1 ZINC001038193000 676056543 /nfs/dbraw/zinc/05/65/43/676056543.db2.gz BLRINJXRIFBJIW-HNNXBMFYSA-N 1 2 326.425 2.328 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c[nH]nc2-c2ccco2)C1 ZINC000970904652 676227733 /nfs/dbraw/zinc/22/77/33/676227733.db2.gz RKIKWXRZJSTTIM-LLVKDONJSA-N 1 2 334.807 2.472 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(C(F)F)n(C)n2)C1 ZINC000970158056 675596027 /nfs/dbraw/zinc/59/60/27/675596027.db2.gz OOYNBXWZMNZZFJ-VIFPVBQESA-N 1 2 332.782 2.160 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC000970342855 675798593 /nfs/dbraw/zinc/79/85/93/675798593.db2.gz FXYNKPOFEBSWKL-STQMWFEESA-N 1 2 349.853 2.153 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC3CCC(OC)CC3)C2)C1 ZINC000972699525 679663158 /nfs/dbraw/zinc/66/31/58/679663158.db2.gz GAOAZPGPWDGPTK-FAFZWHIHSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CC3CCC(OC)CC3)C2)C1 ZINC000972699525 679663159 /nfs/dbraw/zinc/66/31/59/679663159.db2.gz GAOAZPGPWDGPTK-FAFZWHIHSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2oc(C)nc2C)C1 ZINC000971267624 676464626 /nfs/dbraw/zinc/46/46/26/676464626.db2.gz ORXVZUXRRUXGHS-LBPRGKRZSA-N 1 2 342.237 2.346 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2oc(C)nc2C)C1 ZINC000971267624 676464628 /nfs/dbraw/zinc/46/46/28/676464628.db2.gz ORXVZUXRRUXGHS-LBPRGKRZSA-N 1 2 342.237 2.346 20 30 EEEDLO CC(C)c1ocnc1C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971364095 676503724 /nfs/dbraw/zinc/50/37/24/676503724.db2.gz ORNZFGWOLCKQPO-AWEZNQCLSA-N 1 2 341.415 2.344 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971364095 676503727 /nfs/dbraw/zinc/50/37/27/676503727.db2.gz ORNZFGWOLCKQPO-AWEZNQCLSA-N 1 2 341.415 2.344 20 30 EEEDLO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2cc(C#N)ccc2F)CC1 ZINC000891447497 676627262 /nfs/dbraw/zinc/62/72/62/676627262.db2.gz ACYJGAMITAJUIM-UHFFFAOYSA-N 1 2 341.390 2.282 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000891608076 676714501 /nfs/dbraw/zinc/71/45/01/676714501.db2.gz WYHVRLUOSZPROA-INIZCTEOSA-N 1 2 341.455 2.271 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000891608076 676714502 /nfs/dbraw/zinc/71/45/02/676714502.db2.gz WYHVRLUOSZPROA-INIZCTEOSA-N 1 2 341.455 2.271 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2nnc(C)o2)C1 ZINC000971686838 676740475 /nfs/dbraw/zinc/74/04/75/676740475.db2.gz GFQUOPGIPKKJMU-HIFRSBDPSA-N 1 2 343.431 2.273 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2nnc(C)o2)C1 ZINC000971686838 676740476 /nfs/dbraw/zinc/74/04/76/676740476.db2.gz GFQUOPGIPKKJMU-HIFRSBDPSA-N 1 2 343.431 2.273 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC000972182815 678364673 /nfs/dbraw/zinc/36/46/73/678364673.db2.gz MUQDGUKOFICZEP-BZUAXINKSA-N 1 2 344.459 2.106 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(OC)no3)C2)CC1 ZINC000972239674 678437029 /nfs/dbraw/zinc/43/70/29/678437029.db2.gz VCYBJUMHAPHMSD-OAHLLOKOSA-N 1 2 333.432 2.462 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]([N@H+](C)Cc3cc(OC)no3)C2)CC1 ZINC000972239674 678437030 /nfs/dbraw/zinc/43/70/30/678437030.db2.gz VCYBJUMHAPHMSD-OAHLLOKOSA-N 1 2 333.432 2.462 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2ocnc2CC)C1 ZINC000972285557 678495925 /nfs/dbraw/zinc/49/59/25/678495925.db2.gz SUPHVIZJPRSNPN-NSHDSACASA-N 1 2 342.237 2.292 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2ocnc2CC)C1 ZINC000972285557 678495927 /nfs/dbraw/zinc/49/59/27/678495927.db2.gz SUPHVIZJPRSNPN-NSHDSACASA-N 1 2 342.237 2.292 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3c(C)cccc3C)C2)C1 ZINC000972399869 678686979 /nfs/dbraw/zinc/68/69/79/678686979.db2.gz ORAHZODEGUVFLY-HXUWFJFHSA-N 1 2 328.456 2.335 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3c(C)cccc3C)C2)C1 ZINC000972399869 678686981 /nfs/dbraw/zinc/68/69/81/678686981.db2.gz ORAHZODEGUVFLY-HXUWFJFHSA-N 1 2 328.456 2.335 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cncc(Cl)c3C)C2)C1 ZINC000972421151 678717530 /nfs/dbraw/zinc/71/75/30/678717530.db2.gz DXAAVYVQVOOLNT-KRWDZBQOSA-N 1 2 335.835 2.146 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cncc(Cl)c3C)C2)C1 ZINC000972421151 678717535 /nfs/dbraw/zinc/71/75/35/678717535.db2.gz DXAAVYVQVOOLNT-KRWDZBQOSA-N 1 2 335.835 2.146 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(-c4ccco4)on3)C2)C1 ZINC000972486020 678870209 /nfs/dbraw/zinc/87/02/09/678870209.db2.gz DFRSIXKFRNAFPR-GOSISDBHSA-N 1 2 343.383 2.038 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(-c4ccco4)on3)C2)C1 ZINC000972486020 678870214 /nfs/dbraw/zinc/87/02/14/678870214.db2.gz DFRSIXKFRNAFPR-GOSISDBHSA-N 1 2 343.383 2.038 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(F)ccc3C)C2)C1 ZINC000972488770 678886556 /nfs/dbraw/zinc/88/65/56/678886556.db2.gz HXPFFKOCSBTAIP-IBGZPJMESA-N 1 2 330.403 2.074 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(F)ccc3C)C2)C1 ZINC000972488770 678886558 /nfs/dbraw/zinc/88/65/58/678886558.db2.gz HXPFFKOCSBTAIP-IBGZPJMESA-N 1 2 330.403 2.074 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(F)c(Cl)c3)C2)C1 ZINC000972528903 679181854 /nfs/dbraw/zinc/18/18/54/679181854.db2.gz VVZUWPAEFYPTJA-QGZVFWFLSA-N 1 2 336.794 2.029 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(F)c(Cl)c3)C2)C1 ZINC000972528903 679181855 /nfs/dbraw/zinc/18/18/55/679181855.db2.gz VVZUWPAEFYPTJA-QGZVFWFLSA-N 1 2 336.794 2.029 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)cccc3C)C2)C1 ZINC000972573392 679329730 /nfs/dbraw/zinc/32/97/30/679329730.db2.gz VQKULOLDLLICHE-HXUWFJFHSA-N 1 2 326.440 2.244 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)cccc3C)C2)C1 ZINC000972573392 679329732 /nfs/dbraw/zinc/32/97/32/679329732.db2.gz VQKULOLDLLICHE-HXUWFJFHSA-N 1 2 326.440 2.244 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)c3ccccc3F)C2)C1 ZINC000972598491 679400662 /nfs/dbraw/zinc/40/06/62/679400662.db2.gz GPDYMIKAPWXRCL-FQEVSTJZSA-N 1 2 344.430 2.040 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)c3ccccc3F)C2)C1 ZINC000972598491 679400664 /nfs/dbraw/zinc/40/06/64/679400664.db2.gz GPDYMIKAPWXRCL-FQEVSTJZSA-N 1 2 344.430 2.040 20 30 EEEDLO C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc4[nH]cnc43)C2)C1 ZINC000972607101 679420452 /nfs/dbraw/zinc/42/04/52/679420452.db2.gz CCWKEFTVQDQYDU-LJQANCHMSA-N 1 2 340.427 2.056 20 30 EEEDLO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc4[nH]cnc43)C2)C1 ZINC000972607101 679420455 /nfs/dbraw/zinc/42/04/55/679420455.db2.gz CCWKEFTVQDQYDU-LJQANCHMSA-N 1 2 340.427 2.056 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4sccc4c3)C2)C1 ZINC000972620910 679440199 /nfs/dbraw/zinc/44/01/99/679440199.db2.gz DEZWJGKDZNDQON-IBGZPJMESA-N 1 2 340.448 2.451 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4sccc4c3)C2)C1 ZINC000972620910 679440201 /nfs/dbraw/zinc/44/02/01/679440201.db2.gz DEZWJGKDZNDQON-IBGZPJMESA-N 1 2 340.448 2.451 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4cnccc4c3)C2)C1 ZINC000972624750 679447773 /nfs/dbraw/zinc/44/77/73/679447773.db2.gz VEPQWGKSOQDVKZ-NRFANRHFSA-N 1 2 349.434 2.175 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4cnccc4c3)C2)C1 ZINC000972624750 679447774 /nfs/dbraw/zinc/44/77/74/679447774.db2.gz VEPQWGKSOQDVKZ-NRFANRHFSA-N 1 2 349.434 2.175 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3c[nH]c4ccccc34)C2)C1 ZINC000972648414 679505489 /nfs/dbraw/zinc/50/54/89/679505489.db2.gz AJORTQYUHOHNFH-HXUWFJFHSA-N 1 2 339.439 2.200 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3c[nH]c4ccccc34)C2)C1 ZINC000972648414 679505492 /nfs/dbraw/zinc/50/54/92/679505492.db2.gz AJORTQYUHOHNFH-HXUWFJFHSA-N 1 2 339.439 2.200 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C)c4c3CCC4)C2)C1 ZINC000972692242 679613478 /nfs/dbraw/zinc/61/34/78/679613478.db2.gz MMLGHPAGYQUTSU-OAQYLSRUSA-N 1 2 338.451 2.034 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C)c4c3CCC4)C2)C1 ZINC000972692242 679613480 /nfs/dbraw/zinc/61/34/80/679613480.db2.gz MMLGHPAGYQUTSU-OAQYLSRUSA-N 1 2 338.451 2.034 20 30 EEEDLO CC1(C)C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1NC(=O)c1cnns1 ZINC000972833637 679813484 /nfs/dbraw/zinc/81/34/84/679813484.db2.gz BJYHFOXOUIVYOV-HNNXBMFYSA-N 1 2 341.440 2.050 20 30 EEEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1NC(=O)c1cnns1 ZINC000972833637 679813485 /nfs/dbraw/zinc/81/34/85/679813485.db2.gz BJYHFOXOUIVYOV-HNNXBMFYSA-N 1 2 341.440 2.050 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(OC)cc2C)n1 ZINC000894109244 681279833 /nfs/dbraw/zinc/27/98/33/681279833.db2.gz LCNAUFCVUHJPHY-UHFFFAOYSA-N 1 2 327.428 2.482 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(OC)cc2C)n1 ZINC000894109244 681279837 /nfs/dbraw/zinc/27/98/37/681279837.db2.gz LCNAUFCVUHJPHY-UHFFFAOYSA-N 1 2 327.428 2.482 20 30 EEEDLO Cc1nonc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024824228 681473140 /nfs/dbraw/zinc/47/31/40/681473140.db2.gz LVKQEPROIIVBFF-INIZCTEOSA-N 1 2 339.399 2.034 20 30 EEEDLO Cc1nonc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024824228 681473143 /nfs/dbraw/zinc/47/31/43/681473143.db2.gz LVKQEPROIIVBFF-INIZCTEOSA-N 1 2 339.399 2.034 20 30 EEEDLO C[C@@H]1C[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)CCO1 ZINC000982968917 681591600 /nfs/dbraw/zinc/59/16/00/681591600.db2.gz ZPBRFJLAOSCQKI-HUUCEWRRSA-N 1 2 347.484 2.469 20 30 EEEDLO C[C@@H]1C[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)CCO1 ZINC000982968917 681591603 /nfs/dbraw/zinc/59/16/03/681591603.db2.gz ZPBRFJLAOSCQKI-HUUCEWRRSA-N 1 2 347.484 2.469 20 30 EEEDLO C[C@]1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)CCCOC1 ZINC000983027365 681686939 /nfs/dbraw/zinc/68/69/39/681686939.db2.gz QUGLDFQSDXLBNT-SFHVURJKSA-N 1 2 347.484 2.471 20 30 EEEDLO C[C@]1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)CCCOC1 ZINC000983027365 681686941 /nfs/dbraw/zinc/68/69/41/681686941.db2.gz QUGLDFQSDXLBNT-SFHVURJKSA-N 1 2 347.484 2.471 20 30 EEEDLO C=C1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](Cc3ncnn3C)C2)CC1 ZINC001025524087 682951101 /nfs/dbraw/zinc/95/11/01/682951101.db2.gz RVGDBACEXKXUAP-WBVHZDCISA-N 1 2 345.491 2.278 20 30 EEEDLO C=C1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](Cc3ncnn3C)C2)CC1 ZINC001025524087 682951104 /nfs/dbraw/zinc/95/11/04/682951104.db2.gz RVGDBACEXKXUAP-WBVHZDCISA-N 1 2 345.491 2.278 20 30 EEEDLO C=CCCn1cc(C(=O)NC2C[NH+](Cc3ccccc3CC)C2)nn1 ZINC001031075630 683671505 /nfs/dbraw/zinc/67/15/05/683671505.db2.gz OLGSTNUMIJOYGZ-UHFFFAOYSA-N 1 2 339.443 2.031 20 30 EEEDLO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccccc1F ZINC001029300556 683918008 /nfs/dbraw/zinc/91/80/08/683918008.db2.gz KBXVIVAMOGPBAC-CALCHBBNSA-N 1 2 342.414 2.293 20 30 EEEDLO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccccc1F ZINC001029300556 683918011 /nfs/dbraw/zinc/91/80/11/683918011.db2.gz KBXVIVAMOGPBAC-CALCHBBNSA-N 1 2 342.414 2.293 20 30 EEEDLO C[N@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccc(C#N)cc1 ZINC000914788867 683970430 /nfs/dbraw/zinc/97/04/30/683970430.db2.gz GLYUKXQIDGJFSC-UHFFFAOYSA-N 1 2 335.367 2.211 20 30 EEEDLO C[N@@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccc(C#N)cc1 ZINC000914788867 683970431 /nfs/dbraw/zinc/97/04/31/683970431.db2.gz GLYUKXQIDGJFSC-UHFFFAOYSA-N 1 2 335.367 2.211 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccc(C)s3)C2)C1=O ZINC001006603297 684118942 /nfs/dbraw/zinc/11/89/42/684118942.db2.gz MMQPVFDWNQXDCE-CABCVRRESA-N 1 2 347.484 2.038 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ccc(C)s3)C2)C1=O ZINC001006603297 684118944 /nfs/dbraw/zinc/11/89/44/684118944.db2.gz MMQPVFDWNQXDCE-CABCVRRESA-N 1 2 347.484 2.038 20 30 EEEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000925572998 684519853 /nfs/dbraw/zinc/51/98/53/684519853.db2.gz LLDDRHAQZVJJCZ-ZDUSSCGKSA-N 1 2 336.823 2.444 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000984459080 684568019 /nfs/dbraw/zinc/56/80/19/684568019.db2.gz NUVCEYXGMOOJAL-HNNXBMFYSA-N 1 2 332.448 2.004 20 30 EEEDLO C=CCC[C@H](C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C)c1ccccc1 ZINC000896548136 685041002 /nfs/dbraw/zinc/04/10/02/685041002.db2.gz JUMGKHWIZWVGAX-WDSOQIARSA-N 1 2 329.488 2.487 20 30 EEEDLO C=CCC[C@H](C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C)c1ccccc1 ZINC000896548136 685041006 /nfs/dbraw/zinc/04/10/06/685041006.db2.gz JUMGKHWIZWVGAX-WDSOQIARSA-N 1 2 329.488 2.487 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2nn(C)cc2Cl)C(C)(C)C1 ZINC000974620458 685135851 /nfs/dbraw/zinc/13/58/51/685135851.db2.gz KTNQUUAAQAIVFR-NSHDSACASA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2nn(C)cc2Cl)C(C)(C)C1 ZINC000974620458 685135854 /nfs/dbraw/zinc/13/58/54/685135854.db2.gz KTNQUUAAQAIVFR-NSHDSACASA-N 1 2 331.247 2.266 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001060091680 693941550 /nfs/dbraw/zinc/94/15/50/693941550.db2.gz OSWCLECVGINEGH-XHSDSOJGSA-N 1 2 330.432 2.027 20 30 EEEDLO CCCc1nnc(C[N@H+](C)C2CCN(C(=O)[C@@H](C)C#N)CC2)s1 ZINC000985339099 686354280 /nfs/dbraw/zinc/35/42/80/686354280.db2.gz QQSWUTLBWPLONG-LBPRGKRZSA-N 1 2 335.477 2.073 20 30 EEEDLO CCCc1nnc(C[N@@H+](C)C2CCN(C(=O)[C@@H](C)C#N)CC2)s1 ZINC000985339099 686354285 /nfs/dbraw/zinc/35/42/85/686354285.db2.gz QQSWUTLBWPLONG-LBPRGKRZSA-N 1 2 335.477 2.073 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCC[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059562005 687111812 /nfs/dbraw/zinc/11/18/12/687111812.db2.gz CRMBJUZNGPORTA-JKSUJKDBSA-N 1 2 346.475 2.299 20 30 EEEDLO C[C@H]1[C@@H]([NH2+]Cc2nc(C3CCCC3)no2)CCN1C(=O)C#CC1CC1 ZINC000986291100 688464618 /nfs/dbraw/zinc/46/46/18/688464618.db2.gz ZZWNMGWZZBEGFJ-BBRMVZONSA-N 1 2 342.443 2.220 20 30 EEEDLO Cc1nccc(C(=O)N2CCC[N@H+](Cc3ccccc3C#N)CC2)n1 ZINC000989689828 692174895 /nfs/dbraw/zinc/17/48/95/692174895.db2.gz SXZZZCVLBYNFDP-UHFFFAOYSA-N 1 2 335.411 2.005 20 30 EEEDLO Cc1nccc(C(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)n1 ZINC000989689828 692174901 /nfs/dbraw/zinc/17/49/01/692174901.db2.gz SXZZZCVLBYNFDP-UHFFFAOYSA-N 1 2 335.411 2.005 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2ncc(C)o2)CC1(C)C ZINC000977323283 692486813 /nfs/dbraw/zinc/48/68/13/692486813.db2.gz FQZFQOVUSBWANM-ZOBUZTSGSA-N 1 2 347.459 2.291 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@@H+](Cc2ncc(C)o2)CC1(C)C ZINC000977323283 692486816 /nfs/dbraw/zinc/48/68/16/692486816.db2.gz FQZFQOVUSBWANM-ZOBUZTSGSA-N 1 2 347.459 2.291 20 30 EEEDLO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001027520383 692599530 /nfs/dbraw/zinc/59/95/30/692599530.db2.gz LTXIRWBJMWKFEV-MRXNPFEDSA-N 1 2 325.416 2.194 20 30 EEEDLO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001027520383 692599531 /nfs/dbraw/zinc/59/95/31/692599531.db2.gz LTXIRWBJMWKFEV-MRXNPFEDSA-N 1 2 325.416 2.194 20 30 EEEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C(C)(C)C1 ZINC000977421765 692612584 /nfs/dbraw/zinc/61/25/84/692612584.db2.gz OXJCHGICPCGKKI-OAHLLOKOSA-N 1 2 325.416 2.098 20 30 EEEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C(C)(C)C1 ZINC000977421765 692612588 /nfs/dbraw/zinc/61/25/88/692612588.db2.gz OXJCHGICPCGKKI-OAHLLOKOSA-N 1 2 325.416 2.098 20 30 EEEDLO Cc1cc(C[N@@H+]2CC[C@@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)no1 ZINC000990278079 692804047 /nfs/dbraw/zinc/80/40/47/692804047.db2.gz UMJXSQNDJJSREY-AEFFLSMTSA-N 1 2 339.399 2.110 20 30 EEEDLO Cc1cc(C[N@H+]2CC[C@@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)no1 ZINC000990278079 692804052 /nfs/dbraw/zinc/80/40/52/692804052.db2.gz UMJXSQNDJJSREY-AEFFLSMTSA-N 1 2 339.399 2.110 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](OC)C(C)C)C1 ZINC001027558577 692989422 /nfs/dbraw/zinc/98/94/22/692989422.db2.gz ZTIXAQBQDMHKRJ-UONOGXRCSA-N 1 2 347.297 2.489 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](OC)C(C)C)C1 ZINC001027558577 692989428 /nfs/dbraw/zinc/98/94/28/692989428.db2.gz ZTIXAQBQDMHKRJ-UONOGXRCSA-N 1 2 347.297 2.489 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H](CNc3cc[nH+]c(C)n3)C2)cn1 ZINC001060043600 693033327 /nfs/dbraw/zinc/03/33/27/693033327.db2.gz XRNSRKUTXNPSLX-OAHLLOKOSA-N 1 2 335.411 2.126 20 30 EEEDLO CC(C)(CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000898905219 693520987 /nfs/dbraw/zinc/52/09/87/693520987.db2.gz UEGNRJARLSLSQE-UHFFFAOYSA-N 1 2 326.400 2.464 20 30 EEEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)ccn1 ZINC001032063803 1192049828 /nfs/dbraw/zinc/04/98/28/1192049828.db2.gz QFWYWOKTPLGSOU-UHFFFAOYSA-N 1 2 338.386 2.263 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(O)c(F)c1F ZINC001272724354 1192276312 /nfs/dbraw/zinc/27/63/12/1192276312.db2.gz GJNGRSWATOPNOX-SFHVURJKSA-N 1 2 334.366 2.261 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(O)c(F)c1F ZINC001272724354 1192276315 /nfs/dbraw/zinc/27/63/15/1192276315.db2.gz GJNGRSWATOPNOX-SFHVURJKSA-N 1 2 334.366 2.261 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000943571764 1192362684 /nfs/dbraw/zinc/36/26/84/1192362684.db2.gz NVQUMWYWXPTMMG-RDTXWAMCSA-N 1 2 332.448 2.052 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cnccc2C(F)(F)F)C1=O ZINC001272731306 1192388571 /nfs/dbraw/zinc/38/85/71/1192388571.db2.gz FMJCLXCHLGDVFK-MRXNPFEDSA-N 1 2 337.345 2.301 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cnccc2C(F)(F)F)C1=O ZINC001272731306 1192388574 /nfs/dbraw/zinc/38/85/74/1192388574.db2.gz FMJCLXCHLGDVFK-MRXNPFEDSA-N 1 2 337.345 2.301 20 30 EEEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(F)cc3F)C2)nc1 ZINC001032135128 1192765410 /nfs/dbraw/zinc/76/54/10/1192765410.db2.gz KFSSYRQFILTHFW-UHFFFAOYSA-N 1 2 341.361 2.203 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cccc(NC(=O)NC)c1 ZINC001481012045 1179490933 /nfs/dbraw/zinc/49/09/33/1179490933.db2.gz SMNLFBKPYYECMI-UHFFFAOYSA-N 1 2 338.839 2.242 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cccc(NC(=O)NC)c1 ZINC001481012045 1179490934 /nfs/dbraw/zinc/49/09/34/1179490934.db2.gz SMNLFBKPYYECMI-UHFFFAOYSA-N 1 2 338.839 2.242 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2nn(CC)nc2C)C1 ZINC001481414983 1181265460 /nfs/dbraw/zinc/26/54/60/1181265460.db2.gz VQKSSUDIGFZYLH-AWEZNQCLSA-N 1 2 339.871 2.285 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2nn(CC)nc2C)C1 ZINC001481414983 1181265466 /nfs/dbraw/zinc/26/54/66/1181265466.db2.gz VQKSSUDIGFZYLH-AWEZNQCLSA-N 1 2 339.871 2.285 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)C(C)(F)F)[C@H]1C ZINC001088444409 1186895035 /nfs/dbraw/zinc/89/50/35/1186895035.db2.gz CADWSAQUMANPQB-RISCZKNCSA-N 1 2 337.370 2.301 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)C(C)(F)F)[C@H]1C ZINC001088444409 1186895041 /nfs/dbraw/zinc/89/50/41/1186895041.db2.gz CADWSAQUMANPQB-RISCZKNCSA-N 1 2 337.370 2.301 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)ncn1 ZINC001088528939 1187169084 /nfs/dbraw/zinc/16/90/84/1187169084.db2.gz WFZTZWGUAQGXBC-PBHICJAKSA-N 1 2 335.411 2.050 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)ncn1 ZINC001088528939 1187169085 /nfs/dbraw/zinc/16/90/85/1187169085.db2.gz WFZTZWGUAQGXBC-PBHICJAKSA-N 1 2 335.411 2.050 20 30 EEEDLO CC/C=C(\C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001211964252 1187484680 /nfs/dbraw/zinc/48/46/80/1187484680.db2.gz HSJKIFBJFSALCQ-HMGXEHOESA-N 1 2 344.430 2.349 20 30 EEEDLO CC/C=C(\C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001211964252 1187484682 /nfs/dbraw/zinc/48/46/82/1187484682.db2.gz HSJKIFBJFSALCQ-HMGXEHOESA-N 1 2 344.430 2.349 20 30 EEEDLO CC/C=C(\C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001211964679 1187494042 /nfs/dbraw/zinc/49/40/42/1187494042.db2.gz VFHXDRAIKNZZSI-SUKHSIIVSA-N 1 2 345.418 2.369 20 30 EEEDLO CC/C=C(\C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001211964679 1187494043 /nfs/dbraw/zinc/49/40/43/1187494043.db2.gz VFHXDRAIKNZZSI-SUKHSIIVSA-N 1 2 345.418 2.369 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)CCN(C)c2ncccc2C#N)c(C)[nH+]1 ZINC001105621062 1188341518 /nfs/dbraw/zinc/34/15/18/1188341518.db2.gz PKUMRVRQOYEKFC-UHFFFAOYSA-N 1 2 337.427 2.482 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)ncn4C)[C@@H]2C1 ZINC001075969254 1188439711 /nfs/dbraw/zinc/43/97/11/1188439711.db2.gz UWLMZBLNSBQJMA-WMLDXEAASA-N 1 2 344.846 2.472 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c(c3)ncn4C)[C@@H]2C1 ZINC001075969254 1188439715 /nfs/dbraw/zinc/43/97/15/1188439715.db2.gz UWLMZBLNSBQJMA-WMLDXEAASA-N 1 2 344.846 2.472 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4ccccn34)[C@@H]2C1 ZINC001075970359 1188445321 /nfs/dbraw/zinc/44/53/21/1188445321.db2.gz VWQORLOIOJBHSP-DZGCQCFKSA-N 1 2 330.819 2.233 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4ccccn34)[C@@H]2C1 ZINC001075970359 1188445323 /nfs/dbraw/zinc/44/53/23/1188445323.db2.gz VWQORLOIOJBHSP-DZGCQCFKSA-N 1 2 330.819 2.233 20 30 EEEDLO O=C(C#CC1CC1)NCC[NH2+]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC001126880965 1188547846 /nfs/dbraw/zinc/54/78/46/1188547846.db2.gz ILLWXQHCDGJKGZ-UHFFFAOYSA-N 1 2 344.802 2.009 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccn4ccnc34)[C@@H]2C1 ZINC001076355686 1188868904 /nfs/dbraw/zinc/86/89/04/1188868904.db2.gz AUGPJDMYPRAQPY-DZGCQCFKSA-N 1 2 330.819 2.233 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccn4ccnc34)[C@@H]2C1 ZINC001076355686 1188868907 /nfs/dbraw/zinc/86/89/07/1188868907.db2.gz AUGPJDMYPRAQPY-DZGCQCFKSA-N 1 2 330.819 2.233 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3nnn(C(C)C)c3C)[C@@H]2C1 ZINC001076409581 1188897497 /nfs/dbraw/zinc/89/74/97/1188897497.db2.gz RAQCQAVAZCMRAV-UONOGXRCSA-N 1 2 337.855 2.066 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3nnn(C(C)C)c3C)[C@@H]2C1 ZINC001076409581 1188897501 /nfs/dbraw/zinc/89/75/01/1188897501.db2.gz RAQCQAVAZCMRAV-UONOGXRCSA-N 1 2 337.855 2.066 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001076666617 1189091105 /nfs/dbraw/zinc/09/11/05/1189091105.db2.gz PMKLGONYDRYRSF-HNNXBMFYSA-N 1 2 346.475 2.132 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NCCN(CCC)c1nc(C)[nH+]c(C)c1C ZINC001101126955 1189197077 /nfs/dbraw/zinc/19/70/77/1189197077.db2.gz VHDPSZDOSAJWGA-GOSISDBHSA-N 1 2 334.464 2.062 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001077016036 1189288509 /nfs/dbraw/zinc/28/85/09/1189288509.db2.gz XYGCSMQVCQTAIE-AWEZNQCLSA-N 1 2 332.448 2.122 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001077016036 1189288513 /nfs/dbraw/zinc/28/85/13/1189288513.db2.gz XYGCSMQVCQTAIE-AWEZNQCLSA-N 1 2 332.448 2.122 20 30 EEEDLO C=CC1(CC(=O)N[C@@H](C)CCNC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001077182628 1189377775 /nfs/dbraw/zinc/37/77/75/1189377775.db2.gz YASRVDOPJAOMAX-INIZCTEOSA-N 1 2 346.475 2.421 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3C=CCCC3)C2)s1 ZINC001077215090 1189392494 /nfs/dbraw/zinc/39/24/94/1189392494.db2.gz KXILEXQMPHGBFF-IAOVAPTHSA-N 1 2 345.468 2.027 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3C=CCCC3)C2)s1 ZINC001077215090 1189392495 /nfs/dbraw/zinc/39/24/95/1189392495.db2.gz KXILEXQMPHGBFF-IAOVAPTHSA-N 1 2 345.468 2.027 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001077247102 1189423924 /nfs/dbraw/zinc/42/39/24/1189423924.db2.gz GXXDUMHOBYNGKR-LBPRGKRZSA-N 1 2 328.416 2.400 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)CCc2ccccn2)s1 ZINC001483670032 1190729790 /nfs/dbraw/zinc/72/97/90/1190729790.db2.gz IQCDHORYBPRJEA-HNNXBMFYSA-N 1 2 340.452 2.338 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)CCc2ccccn2)s1 ZINC001483670032 1190729793 /nfs/dbraw/zinc/72/97/93/1190729793.db2.gz IQCDHORYBPRJEA-HNNXBMFYSA-N 1 2 340.452 2.338 20 30 EEEDLO CCCCCCCCCC[NH+]1CC2(C1)CN(C1COC1)C(=O)CO2 ZINC001272478474 1190843558 /nfs/dbraw/zinc/84/35/58/1190843558.db2.gz LAKWKSVRXARRAD-UHFFFAOYSA-N 1 2 338.492 2.439 20 30 EEEDLO CC(C)Cc1noc(C[NH+]2CCC(C)(CNC(=O)[C@@H](C)C#N)CC2)n1 ZINC001484132851 1191231620 /nfs/dbraw/zinc/23/16/20/1191231620.db2.gz YEPPXDIHTPQYBE-AWEZNQCLSA-N 1 2 347.463 2.146 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3cc(Cl)ccn3)C2)OCC1=O ZINC001272965655 1194274567 /nfs/dbraw/zinc/27/45/67/1194274567.db2.gz HIDAVJJBNGTCGV-KRWDZBQOSA-N 1 2 335.835 2.114 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3cc(Cl)ccn3)C2)OCC1=O ZINC001272965655 1194274570 /nfs/dbraw/zinc/27/45/70/1194274570.db2.gz HIDAVJJBNGTCGV-KRWDZBQOSA-N 1 2 335.835 2.114 20 30 EEEDLO C#CCN1C[C@@]2(F)C[N@@H+](Cc3c(C)[nH]c4ccccc43)C[C@@]2(F)C1=O ZINC001272988989 1194297475 /nfs/dbraw/zinc/29/74/75/1194297475.db2.gz XVGNYEFYLPCFLR-RBUKOAKNSA-N 1 2 343.377 2.184 20 30 EEEDLO C#CCN1C[C@@]2(F)C[N@H+](Cc3c(C)[nH]c4ccccc43)C[C@@]2(F)C1=O ZINC001272988989 1194297478 /nfs/dbraw/zinc/29/74/78/1194297478.db2.gz XVGNYEFYLPCFLR-RBUKOAKNSA-N 1 2 343.377 2.184 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cc(C)n(C)n3)C2)cc1 ZINC001033323814 1194417711 /nfs/dbraw/zinc/41/77/11/1194417711.db2.gz YAPKILRNMWKWHV-LJQANCHMSA-N 1 2 336.439 2.056 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cc(C)n(C)n3)C2)cc1 ZINC001033323814 1194417713 /nfs/dbraw/zinc/41/77/13/1194417713.db2.gz YAPKILRNMWKWHV-LJQANCHMSA-N 1 2 336.439 2.056 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2C(F)(F)F)C1 ZINC001033414232 1194533621 /nfs/dbraw/zinc/53/36/21/1194533621.db2.gz ZIZUHGCVXLCWCL-NSHDSACASA-N 1 2 330.354 2.459 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2C(F)(F)F)C1 ZINC001033414232 1194533625 /nfs/dbraw/zinc/53/36/25/1194533625.db2.gz ZIZUHGCVXLCWCL-NSHDSACASA-N 1 2 330.354 2.459 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC001033433329 1194553381 /nfs/dbraw/zinc/55/33/81/1194553381.db2.gz USZGEEJPNVREOJ-XQQFMLRXSA-N 1 2 333.259 2.429 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001033433329 1194553384 /nfs/dbraw/zinc/55/33/84/1194553384.db2.gz USZGEEJPNVREOJ-XQQFMLRXSA-N 1 2 333.259 2.429 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cscn2)C1 ZINC001033477090 1194615598 /nfs/dbraw/zinc/61/55/98/1194615598.db2.gz GTOZIRCQLKMACE-GFCCVEGCSA-N 1 2 344.278 2.127 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cscn2)C1 ZINC001033477090 1194615600 /nfs/dbraw/zinc/61/56/00/1194615600.db2.gz GTOZIRCQLKMACE-GFCCVEGCSA-N 1 2 344.278 2.127 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H](C)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001005203026 1194705743 /nfs/dbraw/zinc/70/57/43/1194705743.db2.gz ZPTJQDOERBXFMV-GDBMZVCRSA-N 1 2 344.459 2.052 20 30 EEEDLO CCN(C(=O)c1cocn1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033773311 1195222657 /nfs/dbraw/zinc/22/26/57/1195222657.db2.gz SSTMCAWAJDHRMY-HNNXBMFYSA-N 1 2 342.374 2.422 20 30 EEEDLO CCN(C(=O)c1cocn1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033773311 1195222661 /nfs/dbraw/zinc/22/26/61/1195222661.db2.gz SSTMCAWAJDHRMY-HNNXBMFYSA-N 1 2 342.374 2.422 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC001033801075 1195302144 /nfs/dbraw/zinc/30/21/44/1195302144.db2.gz HKQKMIHMATWSNP-ZDUSSCGKSA-N 1 2 329.429 2.079 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001033801075 1195302148 /nfs/dbraw/zinc/30/21/48/1195302148.db2.gz HKQKMIHMATWSNP-ZDUSSCGKSA-N 1 2 329.429 2.079 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cnc3[nH]cnc3c2)C1 ZINC001033846960 1195378728 /nfs/dbraw/zinc/37/87/28/1195378728.db2.gz RZKFQCQXLZUSLO-CYBMUJFWSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnc3[nH]cnc3c2)C1 ZINC001033846960 1195378735 /nfs/dbraw/zinc/37/87/35/1195378735.db2.gz RZKFQCQXLZUSLO-CYBMUJFWSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001033875398 1195412156 /nfs/dbraw/zinc/41/21/56/1195412156.db2.gz SIWLURQHEMTDMS-HUUCEWRRSA-N 1 2 336.867 2.121 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001033875398 1195412157 /nfs/dbraw/zinc/41/21/57/1195412157.db2.gz SIWLURQHEMTDMS-HUUCEWRRSA-N 1 2 336.867 2.121 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001033881496 1195438408 /nfs/dbraw/zinc/43/84/08/1195438408.db2.gz RXFOGBBZYLXION-CABCVRRESA-N 1 2 336.867 2.121 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001033881496 1195438410 /nfs/dbraw/zinc/43/84/10/1195438410.db2.gz RXFOGBBZYLXION-CABCVRRESA-N 1 2 336.867 2.121 20 30 EEEDLO CCN(C(=O)c1cnco1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033911360 1195487225 /nfs/dbraw/zinc/48/72/25/1195487225.db2.gz VQTZZTXCMJPVOM-OAHLLOKOSA-N 1 2 342.374 2.422 20 30 EEEDLO CCN(C(=O)c1cnco1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033911360 1195487229 /nfs/dbraw/zinc/48/72/29/1195487229.db2.gz VQTZZTXCMJPVOM-OAHLLOKOSA-N 1 2 342.374 2.422 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnc3c(c2)ncn3C)C1 ZINC001033918367 1195499708 /nfs/dbraw/zinc/49/97/08/1195499708.db2.gz BYIDFOBLJIAEMS-AWEZNQCLSA-N 1 2 347.850 2.257 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnc3c(c2)ncn3C)C1 ZINC001033918367 1195499709 /nfs/dbraw/zinc/49/97/09/1195499709.db2.gz BYIDFOBLJIAEMS-AWEZNQCLSA-N 1 2 347.850 2.257 20 30 EEEDLO C[C@@H](CCCCNc1ncccc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001090156706 1195513012 /nfs/dbraw/zinc/51/30/12/1195513012.db2.gz KLOIRKXXXIADBR-ZDUSSCGKSA-N 1 2 326.404 2.006 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001034013063 1195631958 /nfs/dbraw/zinc/63/19/58/1195631958.db2.gz BBDNSUYQVGVREW-ZFWWWQNUSA-N 1 2 336.867 2.190 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001034013063 1195631959 /nfs/dbraw/zinc/63/19/59/1195631959.db2.gz BBDNSUYQVGVREW-ZFWWWQNUSA-N 1 2 336.867 2.190 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001034089114 1195753068 /nfs/dbraw/zinc/75/30/68/1195753068.db2.gz ZSRHAAZAKGKPES-QWHCGFSZSA-N 1 2 331.254 2.045 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001034089114 1195753070 /nfs/dbraw/zinc/75/30/70/1195753070.db2.gz ZSRHAAZAKGKPES-QWHCGFSZSA-N 1 2 331.254 2.045 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)cs1 ZINC001034166630 1195885931 /nfs/dbraw/zinc/88/59/31/1195885931.db2.gz ZWQVSNQVEOWWQU-CQSZACIVSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)cs1 ZINC001034166630 1195885938 /nfs/dbraw/zinc/88/59/38/1195885938.db2.gz ZWQVSNQVEOWWQU-CQSZACIVSA-N 1 2 343.456 2.436 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCCC[N@@H+]([C@@H](C)c3ncccn3)C2)c1 ZINC001034393167 1196182606 /nfs/dbraw/zinc/18/26/06/1196182606.db2.gz RWCTWGXRTLAWLQ-MAUKXSAKSA-N 1 2 349.438 2.198 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCCC[N@H+]([C@@H](C)c3ncccn3)C2)c1 ZINC001034393167 1196182607 /nfs/dbraw/zinc/18/26/07/1196182607.db2.gz RWCTWGXRTLAWLQ-MAUKXSAKSA-N 1 2 349.438 2.198 20 30 EEEDLO CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC001034529293 1196334160 /nfs/dbraw/zinc/33/41/60/1196334160.db2.gz ZZMRIZWOSOYMAU-OAHLLOKOSA-N 1 2 328.460 2.286 20 30 EEEDLO CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC001034529293 1196334163 /nfs/dbraw/zinc/33/41/63/1196334163.db2.gz ZZMRIZWOSOYMAU-OAHLLOKOSA-N 1 2 328.460 2.286 20 30 EEEDLO N#Cc1ccc(N2CC[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)nc1 ZINC001061773556 1196524675 /nfs/dbraw/zinc/52/46/75/1196524675.db2.gz GCFLHQMOLAWXOL-CQSZACIVSA-N 1 2 346.394 2.086 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)[C@@H]1C ZINC001090238604 1196533868 /nfs/dbraw/zinc/53/38/68/1196533868.db2.gz BWCFABDYALUXCY-IPYPFGDCSA-N 1 2 346.479 2.250 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(CC)no1 ZINC001034946539 1196907014 /nfs/dbraw/zinc/90/70/14/1196907014.db2.gz DSTITCLWQARNHI-GFCCVEGCSA-N 1 2 340.855 2.491 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn([C@@H](C)CC)c1C ZINC001018154538 1224401916 /nfs/dbraw/zinc/40/19/16/1224401916.db2.gz LDIWNWFCWUVJJI-BHYGNILZSA-N 1 2 328.460 2.475 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn([C@@H](C)CC)c1C ZINC001018154538 1224401920 /nfs/dbraw/zinc/40/19/20/1224401920.db2.gz LDIWNWFCWUVJJI-BHYGNILZSA-N 1 2 328.460 2.475 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C(C)C)c1C1CC1 ZINC001018158104 1224406083 /nfs/dbraw/zinc/40/60/83/1224406083.db2.gz UHKOSOHSAYBMDV-IYBDPMFKSA-N 1 2 326.444 2.263 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C(C)C)c1C1CC1 ZINC001018158104 1224406086 /nfs/dbraw/zinc/40/60/86/1224406086.db2.gz UHKOSOHSAYBMDV-IYBDPMFKSA-N 1 2 326.444 2.263 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3nc(C4CC4)no3)C[C@H]21 ZINC001114343113 1197840476 /nfs/dbraw/zinc/84/04/76/1197840476.db2.gz IJLXIPUJUNBRKN-UYHMYPTGSA-N 1 2 330.432 2.411 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3nc(C4CC4)no3)C[C@H]21 ZINC001114343113 1197840491 /nfs/dbraw/zinc/84/04/91/1197840491.db2.gz IJLXIPUJUNBRKN-UYHMYPTGSA-N 1 2 330.432 2.411 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4nc(C)c(C)o4)C[C@H]32)CCC1 ZINC001114394629 1197917458 /nfs/dbraw/zinc/91/74/58/1197917458.db2.gz GAXZXOZRZPRNFT-QLPKVWCKSA-N 1 2 327.428 2.031 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4nc(C)c(C)o4)C[C@H]32)CCC1 ZINC001114394629 1197917470 /nfs/dbraw/zinc/91/74/70/1197917470.db2.gz GAXZXOZRZPRNFT-QLPKVWCKSA-N 1 2 327.428 2.031 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccnc(Br)c1 ZINC001273391157 1198459856 /nfs/dbraw/zinc/45/98/56/1198459856.db2.gz ITLKKWBFBZQQIU-ZIAGYGMSSA-N 1 2 348.244 2.043 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccnc(Br)c1 ZINC001273391157 1198459858 /nfs/dbraw/zinc/45/98/58/1198459858.db2.gz ITLKKWBFBZQQIU-ZIAGYGMSSA-N 1 2 348.244 2.043 20 30 EEEDLO C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1Nc1ncccc1C#N ZINC001067222749 1224511949 /nfs/dbraw/zinc/51/19/49/1224511949.db2.gz NCJPRDDLYWVFIK-SJCJKPOMSA-N 1 2 346.394 2.402 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cnnn2C)C1 ZINC001132057014 1199244338 /nfs/dbraw/zinc/24/43/38/1199244338.db2.gz IUQWPIKPCINILL-GOEBONIOSA-N 1 2 331.464 2.053 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cnnn2C)C1 ZINC001132057014 1199244343 /nfs/dbraw/zinc/24/43/43/1199244343.db2.gz IUQWPIKPCINILL-GOEBONIOSA-N 1 2 331.464 2.053 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cncc(OC)n2)C1 ZINC001132234450 1199452524 /nfs/dbraw/zinc/45/25/24/1199452524.db2.gz CALDPPNXRYGFLS-HOTGVXAUSA-N 1 2 344.459 2.148 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cncc(OC)n2)C1 ZINC001132234450 1199452525 /nfs/dbraw/zinc/45/25/25/1199452525.db2.gz CALDPPNXRYGFLS-HOTGVXAUSA-N 1 2 344.459 2.148 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(OC)nn2)C1 ZINC001132235169 1199453933 /nfs/dbraw/zinc/45/39/33/1199453933.db2.gz JBHXMRNFAMNDPA-HZPDHXFCSA-N 1 2 344.459 2.148 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001132235169 1199453934 /nfs/dbraw/zinc/45/39/34/1199453934.db2.gz JBHXMRNFAMNDPA-HZPDHXFCSA-N 1 2 344.459 2.148 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCc2ccco2)C1 ZINC001132217996 1199456335 /nfs/dbraw/zinc/45/63/35/1199456335.db2.gz KDUMCHRKDNFMJT-LSDHHAIUSA-N 1 2 347.459 2.077 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCc2ccco2)C1 ZINC001132217996 1199456341 /nfs/dbraw/zinc/45/63/41/1199456341.db2.gz KDUMCHRKDNFMJT-LSDHHAIUSA-N 1 2 347.459 2.077 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3cnnn3C)C2)CC1 ZINC001132290156 1199542622 /nfs/dbraw/zinc/54/26/22/1199542622.db2.gz AVTZDYVTCPKYSO-LSDHHAIUSA-N 1 2 331.464 2.031 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3cnnn3C)C2)CC1 ZINC001132290156 1199542630 /nfs/dbraw/zinc/54/26/30/1199542630.db2.gz AVTZDYVTCPKYSO-LSDHHAIUSA-N 1 2 331.464 2.031 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2cn(C)nc2C)CC[C@H]1C ZINC001132339144 1199600112 /nfs/dbraw/zinc/60/01/12/1199600112.db2.gz CQDYIQWAABKRMT-CZUORRHYSA-N 1 2 338.883 2.383 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2cn(C)nc2C)CC[C@H]1C ZINC001132339144 1199600114 /nfs/dbraw/zinc/60/01/14/1199600114.db2.gz CQDYIQWAABKRMT-CZUORRHYSA-N 1 2 338.883 2.383 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2(CC)CCCCC2)CC[C@@H]1C ZINC001132509117 1199809457 /nfs/dbraw/zinc/80/94/57/1199809457.db2.gz RMQGFLOSTHEXBD-IRXDYDNUSA-N 1 2 347.503 2.065 20 30 EEEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C2(CC)CCCCC2)CC[C@@H]1C ZINC001132509117 1199809463 /nfs/dbraw/zinc/80/94/63/1199809463.db2.gz RMQGFLOSTHEXBD-IRXDYDNUSA-N 1 2 347.503 2.065 20 30 EEEDLO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1cnc3c(C#N)cnn3c1)CC2 ZINC000877816348 1200127888 /nfs/dbraw/zinc/12/78/88/1200127888.db2.gz CYXCLSJWGAGHLF-UHFFFAOYSA-N 1 2 346.394 2.118 20 30 EEEDLO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1cnc3c(C#N)cnn3c1)CC2 ZINC000877816348 1200127892 /nfs/dbraw/zinc/12/78/92/1200127892.db2.gz CYXCLSJWGAGHLF-UHFFFAOYSA-N 1 2 346.394 2.118 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cccc(OCC)c1 ZINC001018318316 1224603004 /nfs/dbraw/zinc/60/30/04/1224603004.db2.gz GJQQPTVFBKSDDC-HDICACEKSA-N 1 2 326.440 2.326 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cccc(OCC)c1 ZINC001018318316 1224603007 /nfs/dbraw/zinc/60/30/07/1224603007.db2.gz GJQQPTVFBKSDDC-HDICACEKSA-N 1 2 326.440 2.326 20 30 EEEDLO COc1cccc([C@H]2CN(C(=O)c3sccc3C#N)CC[NH2+]2)c1 ZINC000870149982 1200511990 /nfs/dbraw/zinc/51/19/90/1200511990.db2.gz PBIAWWHCXDZNEM-OAHLLOKOSA-N 1 2 327.409 2.415 20 30 EEEDLO COc1cccc([C@@H]2CN(C(=O)c3cc(C#N)oc3C)CC[NH2+]2)c1 ZINC000870152613 1200514345 /nfs/dbraw/zinc/51/43/45/1200514345.db2.gz KVJPBBCEKNWMOS-KRWDZBQOSA-N 1 2 325.368 2.255 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1)c1ccccc1 ZINC000878534982 1200525627 /nfs/dbraw/zinc/52/56/27/1200525627.db2.gz UYIGZRHAUOWKQE-MISYRCLQSA-N 1 2 342.439 2.307 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1)c1ccccc1 ZINC000878534982 1200525629 /nfs/dbraw/zinc/52/56/29/1200525629.db2.gz UYIGZRHAUOWKQE-MISYRCLQSA-N 1 2 342.439 2.307 20 30 EEEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000879138023 1200884199 /nfs/dbraw/zinc/88/41/99/1200884199.db2.gz ZSFFQLMIBDDNPB-GJZGRUSLSA-N 1 2 346.431 2.210 20 30 EEEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000879138023 1200884208 /nfs/dbraw/zinc/88/42/08/1200884208.db2.gz ZSFFQLMIBDDNPB-GJZGRUSLSA-N 1 2 346.431 2.210 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)N(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001018401163 1224678730 /nfs/dbraw/zinc/67/87/30/1224678730.db2.gz SSQKCRWZNYMPNU-ZFWWWQNUSA-N 1 2 344.459 2.113 20 30 EEEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1cc(C#N)c(F)cc1F ZINC000880707975 1201565036 /nfs/dbraw/zinc/56/50/36/1201565036.db2.gz AMWQEPSQCCXBHG-GFCCVEGCSA-N 1 2 338.358 2.069 20 30 EEEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1cc(C#N)c(F)cc1F ZINC000880707975 1201565038 /nfs/dbraw/zinc/56/50/38/1201565038.db2.gz AMWQEPSQCCXBHG-GFCCVEGCSA-N 1 2 338.358 2.069 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001095322547 1201806702 /nfs/dbraw/zinc/80/67/02/1201806702.db2.gz FZATUARYUISDPO-CQSZACIVSA-N 1 2 332.452 2.005 20 30 EEEDLO C[C@@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 ZINC000882615441 1201906996 /nfs/dbraw/zinc/90/69/96/1201906996.db2.gz UWONFAHDSLRFJZ-INIZCTEOSA-N 1 2 347.484 2.389 20 30 EEEDLO C#CC[C@@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000883123527 1202016394 /nfs/dbraw/zinc/01/63/94/1202016394.db2.gz AOZVXQMWLCPWOU-AWEZNQCLSA-N 1 2 347.415 2.441 20 30 EEEDLO C=CCOC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC001137189704 1202069833 /nfs/dbraw/zinc/06/98/33/1202069833.db2.gz CSZXKZNXIMPDQH-UHFFFAOYSA-N 1 2 327.384 2.381 20 30 EEEDLO C=CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2noc(C3CC3)n2)C12CCC2 ZINC001202624866 1202195807 /nfs/dbraw/zinc/19/58/07/1202195807.db2.gz JWJXCVALHHERCU-KGLIPLIRSA-N 1 2 330.432 2.430 20 30 EEEDLO C=CCc1ccc(OCC(=O)OCC[N@@H+]2CCO[C@@H](C)C2)c(OC)c1 ZINC000800077863 1202205040 /nfs/dbraw/zinc/20/50/40/1202205040.db2.gz DGKGVBFNQJXBAW-HNNXBMFYSA-N 1 2 349.427 2.066 20 30 EEEDLO C=CCc1ccc(OCC(=O)OCC[N@H+]2CCO[C@@H](C)C2)c(OC)c1 ZINC000800077863 1202205042 /nfs/dbraw/zinc/20/50/42/1202205042.db2.gz DGKGVBFNQJXBAW-HNNXBMFYSA-N 1 2 349.427 2.066 20 30 EEEDLO Cc1ccc([C@H](C)NC(=O)CO[NH+]=C(N)Cc2cccnc2)cc1C ZINC000137659581 1202492767 /nfs/dbraw/zinc/49/27/67/1202492767.db2.gz DPKJFPJNWGDHSQ-HNNXBMFYSA-N 1 2 340.427 2.407 20 30 EEEDLO CCc1cc(C[NH+]2CC3(C2)COCC(=O)N3[C@@H](C)CC)ccc1C#N ZINC001274602546 1205093528 /nfs/dbraw/zinc/09/35/28/1205093528.db2.gz PHXVXCRQGQOKRQ-HNNXBMFYSA-N 1 2 341.455 2.332 20 30 EEEDLO Cc1ncsc1C[N@@H+]1CCC12CN(Cc1cncc(C#N)c1)C2 ZINC001275027200 1205236046 /nfs/dbraw/zinc/23/60/46/1205236046.db2.gz HNAYMVJQYSWIEU-UHFFFAOYSA-N 1 2 325.441 2.179 20 30 EEEDLO Cc1ncsc1C[N@H+]1CCC12CN(Cc1cncc(C#N)c1)C2 ZINC001275027200 1205236049 /nfs/dbraw/zinc/23/60/49/1205236049.db2.gz HNAYMVJQYSWIEU-UHFFFAOYSA-N 1 2 325.441 2.179 20 30 EEEDLO CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)ccc1O ZINC001275551562 1205408532 /nfs/dbraw/zinc/40/85/32/1205408532.db2.gz XINNOALYMGVDCA-ALOPSCKCSA-N 1 2 342.443 2.467 20 30 EEEDLO CC(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)ccc1O ZINC001275551562 1205408533 /nfs/dbraw/zinc/40/85/33/1205408533.db2.gz XINNOALYMGVDCA-ALOPSCKCSA-N 1 2 342.443 2.467 20 30 EEEDLO N#Cc1cccc(CNC(=O)[C@H]2CC23CC[NH+](Cc2ncc[nH]2)CC3)c1 ZINC001275594853 1205436021 /nfs/dbraw/zinc/43/60/21/1205436021.db2.gz ASEPVILEDNSCLZ-QGZVFWFLSA-N 1 2 349.438 2.200 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC3(CCN3C(=O)CCc3ccc[nH]3)C2)cc1 ZINC001275828959 1205554266 /nfs/dbraw/zinc/55/42/66/1205554266.db2.gz OHIGDJWDFUZFFP-UHFFFAOYSA-N 1 2 334.423 2.306 20 30 EEEDLO N#Cc1c(F)cccc1N1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001066754251 1205796593 /nfs/dbraw/zinc/79/65/93/1205796593.db2.gz ZUHHTUHAKFTTTB-CQSZACIVSA-N 1 2 341.390 2.069 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NCCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001095527500 1205857721 /nfs/dbraw/zinc/85/77/21/1205857721.db2.gz AQFZQTBSEZFGSB-SFHVURJKSA-N 1 2 334.464 2.178 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCC ZINC001110933854 1206314413 /nfs/dbraw/zinc/31/44/13/1206314413.db2.gz SWLAEIBSOZYMQO-HZMVEIRTSA-N 1 2 335.492 2.227 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCC ZINC001110933854 1206314415 /nfs/dbraw/zinc/31/44/15/1206314415.db2.gz SWLAEIBSOZYMQO-HZMVEIRTSA-N 1 2 335.492 2.227 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@]2(C)CCCN(c3cc[nH+]c(C)n3)C2)cn1 ZINC001110941526 1206356701 /nfs/dbraw/zinc/35/67/01/1206356701.db2.gz DWDDXFGDITUQDH-FQEVSTJZSA-N 1 2 349.438 2.198 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(CC)CC ZINC001110967158 1206468279 /nfs/dbraw/zinc/46/82/79/1206468279.db2.gz VNWKXOVWCLZLMO-ZACQAIPSSA-N 1 2 335.492 2.369 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(CC)CC ZINC001110967158 1206468281 /nfs/dbraw/zinc/46/82/81/1206468281.db2.gz VNWKXOVWCLZLMO-ZACQAIPSSA-N 1 2 335.492 2.369 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)CCC1 ZINC001110987012 1206552505 /nfs/dbraw/zinc/55/25/05/1206552505.db2.gz FOXNJUVLJNKFLF-OAGGEKHMSA-N 1 2 347.503 2.369 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)C)CCC1 ZINC001110987012 1206552506 /nfs/dbraw/zinc/55/25/06/1206552506.db2.gz FOXNJUVLJNKFLF-OAGGEKHMSA-N 1 2 347.503 2.369 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nnn1CC ZINC001110989723 1206555801 /nfs/dbraw/zinc/55/58/01/1206555801.db2.gz UALQVYOIIVHCDI-OAFZBRQQSA-N 1 2 345.491 2.430 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nnn1CC ZINC001110989723 1206555802 /nfs/dbraw/zinc/55/58/02/1206555802.db2.gz UALQVYOIIVHCDI-OAFZBRQQSA-N 1 2 345.491 2.430 20 30 EEEDLO CC[C@@H]1C(=O)NCCC[N@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000933214250 1207742479 /nfs/dbraw/zinc/74/24/79/1207742479.db2.gz BXQJQTTWEDXYPL-IEBWSBKVSA-N 1 2 327.428 2.028 20 30 EEEDLO CC[C@@H]1C(=O)NCCC[N@@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000933214250 1207742482 /nfs/dbraw/zinc/74/24/82/1207742482.db2.gz BXQJQTTWEDXYPL-IEBWSBKVSA-N 1 2 327.428 2.028 20 30 EEEDLO Cc1nnc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)C)C2)o1 ZINC001111738639 1208342586 /nfs/dbraw/zinc/34/25/86/1208342586.db2.gz CJYGVRUXMXBDSK-YEWWUXTCSA-N 1 2 330.432 2.069 20 30 EEEDLO Cc1nnc([C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)C)C2)o1 ZINC001111738639 1208342589 /nfs/dbraw/zinc/34/25/89/1208342589.db2.gz CJYGVRUXMXBDSK-YEWWUXTCSA-N 1 2 330.432 2.069 20 30 EEEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccccc1C(N)=O ZINC000778996611 1208430759 /nfs/dbraw/zinc/43/07/59/1208430759.db2.gz SDTQTDBQYNEQNX-UHFFFAOYSA-N 1 2 327.384 2.048 20 30 EEEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccccc1C(N)=O ZINC000778996611 1208430762 /nfs/dbraw/zinc/43/07/62/1208430762.db2.gz SDTQTDBQYNEQNX-UHFFFAOYSA-N 1 2 327.384 2.048 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCN(C)c1cc[nH+]c(C)n1 ZINC001095754926 1208485610 /nfs/dbraw/zinc/48/56/10/1208485610.db2.gz CCKHOAOFZPZXDM-RDJZCZTQSA-N 1 2 332.448 2.099 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2CC)C1 ZINC000948588921 1209238993 /nfs/dbraw/zinc/23/89/93/1209238993.db2.gz BCAAUJMWTCGUHQ-GDBMZVCRSA-N 1 2 344.459 2.052 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnc2n1CCC2 ZINC000948929276 1209457955 /nfs/dbraw/zinc/45/79/55/1209457955.db2.gz NGVDVLQAPZPGHM-GOSISDBHSA-N 1 2 348.450 2.182 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnc2n1CCC2 ZINC000948929276 1209457957 /nfs/dbraw/zinc/45/79/57/1209457957.db2.gz NGVDVLQAPZPGHM-GOSISDBHSA-N 1 2 348.450 2.182 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc2nonc2c1 ZINC000948954983 1209472761 /nfs/dbraw/zinc/47/27/61/1209472761.db2.gz RKRPTFTYIDQOIK-IBGZPJMESA-N 1 2 346.390 2.185 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc2nonc2c1 ZINC000948954983 1209472763 /nfs/dbraw/zinc/47/27/63/1209472763.db2.gz RKRPTFTYIDQOIK-IBGZPJMESA-N 1 2 346.390 2.185 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1Cc2ccncc2C1 ZINC000948958498 1209474478 /nfs/dbraw/zinc/47/44/78/1209474478.db2.gz NKMOOLZZQQTCJH-NQIIRXRSSA-N 1 2 345.446 2.145 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1Cc2ccncc2C1 ZINC000948958498 1209474480 /nfs/dbraw/zinc/47/44/80/1209474480.db2.gz NKMOOLZZQQTCJH-NQIIRXRSSA-N 1 2 345.446 2.145 20 30 EEEDLO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1coc(COC)n1 ZINC000948974329 1209482735 /nfs/dbraw/zinc/48/27/35/1209482735.db2.gz DSAMQOHAOKJMQU-QGZVFWFLSA-N 1 2 341.411 2.336 20 30 EEEDLO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1coc(COC)n1 ZINC000948974329 1209482738 /nfs/dbraw/zinc/48/27/38/1209482738.db2.gz DSAMQOHAOKJMQU-QGZVFWFLSA-N 1 2 341.411 2.336 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)Cc3cccc(CC)c3)CC2)C1 ZINC000949398427 1209666764 /nfs/dbraw/zinc/66/67/64/1209666764.db2.gz MOJRLRVFSALMFH-UHFFFAOYSA-N 1 2 340.467 2.118 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)Cc3cccc(CC)c3)CC2)C1 ZINC000949398427 1209666765 /nfs/dbraw/zinc/66/67/65/1209666765.db2.gz MOJRLRVFSALMFH-UHFFFAOYSA-N 1 2 340.467 2.118 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3oc(C(C)C)nc3C)CC2)C1 ZINC000949489738 1209712085 /nfs/dbraw/zinc/71/20/85/1209712085.db2.gz OEZBJIQPMGRTGL-UHFFFAOYSA-N 1 2 345.443 2.047 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3oc(C(C)C)nc3C)CC2)C1 ZINC000949489738 1209712088 /nfs/dbraw/zinc/71/20/88/1209712088.db2.gz OEZBJIQPMGRTGL-UHFFFAOYSA-N 1 2 345.443 2.047 20 30 EEEDLO C[C@H]1CC[C@@H](CC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)O1 ZINC000950019024 1209984303 /nfs/dbraw/zinc/98/43/03/1209984303.db2.gz YPVONIOCZQEPPW-YJBOKZPZSA-N 1 2 327.428 2.160 20 30 EEEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(C)nn(C)c3s1)C2 ZINC001095836879 1210583088 /nfs/dbraw/zinc/58/30/88/1210583088.db2.gz CDKHBOOLFKVFPS-SNPRPXQTSA-N 1 2 342.468 2.302 20 30 EEEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(C)nn(C)c3s1)C2 ZINC001095836879 1210583090 /nfs/dbraw/zinc/58/30/90/1210583090.db2.gz CDKHBOOLFKVFPS-SNPRPXQTSA-N 1 2 342.468 2.302 20 30 EEEDLO CC(C)c1ccc([C@H](NC(=O)CO[NH+]=C(N)CCO)C(C)C)cc1 ZINC000193713674 1210950610 /nfs/dbraw/zinc/95/06/10/1210950610.db2.gz FSHJQUKTZNLQBX-GOSISDBHSA-N 1 2 335.448 2.295 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC001015457860 1225280645 /nfs/dbraw/zinc/28/06/45/1225280645.db2.gz ZCWASLSCLDBVMY-CYBMUJFWSA-N 1 2 331.803 2.497 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3ccccc3[nH]c2=O)C1 ZINC001015457860 1225280650 /nfs/dbraw/zinc/28/06/50/1225280650.db2.gz ZCWASLSCLDBVMY-CYBMUJFWSA-N 1 2 331.803 2.497 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000953186251 1211696526 /nfs/dbraw/zinc/69/65/26/1211696526.db2.gz YLTNYPRHYLZJKM-IBGZPJMESA-N 1 2 344.459 2.006 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000953186251 1211696527 /nfs/dbraw/zinc/69/65/27/1211696527.db2.gz YLTNYPRHYLZJKM-IBGZPJMESA-N 1 2 344.459 2.006 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc(C(C)C)s2)C1 ZINC000958758116 1213797030 /nfs/dbraw/zinc/79/70/30/1213797030.db2.gz BUUHFPAGJHAATI-RYUDHWBXSA-N 1 2 343.880 2.042 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc(C(C)C)s2)C1 ZINC000958758116 1213797031 /nfs/dbraw/zinc/79/70/31/1213797031.db2.gz BUUHFPAGJHAATI-RYUDHWBXSA-N 1 2 343.880 2.042 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C(C)(F)F ZINC001114853306 1213867865 /nfs/dbraw/zinc/86/78/65/1213867865.db2.gz BLWJWWOXUPSPBF-UKKRHICBSA-N 1 2 337.208 2.233 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C(C)(F)F ZINC001114853306 1213867871 /nfs/dbraw/zinc/86/78/71/1213867871.db2.gz BLWJWWOXUPSPBF-UKKRHICBSA-N 1 2 337.208 2.233 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)/C(C)=C\C)CC3)C2)C1 ZINC000956590721 1214112714 /nfs/dbraw/zinc/11/27/14/1214112714.db2.gz SBBYROMNGRCKEN-HFLUPCSWSA-N 1 2 345.487 2.054 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C1 ZINC001114653296 1214399675 /nfs/dbraw/zinc/39/96/75/1214399675.db2.gz CTHUCMDHSULWGP-GVDBMIGSSA-N 1 2 326.444 2.310 20 30 EEEDLO CCc1nocc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015666935 1225529688 /nfs/dbraw/zinc/52/96/88/1225529688.db2.gz DGJCUAADQJAMNT-INIZCTEOSA-N 1 2 341.386 2.232 20 30 EEEDLO CCc1nocc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015666935 1225529691 /nfs/dbraw/zinc/52/96/91/1225529691.db2.gz DGJCUAADQJAMNT-INIZCTEOSA-N 1 2 341.386 2.232 20 30 EEEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000092914232 1214691643 /nfs/dbraw/zinc/69/16/43/1214691643.db2.gz IJWDXOHYNPKGST-CVEARBPZSA-N 1 2 330.432 2.094 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001015690069 1225554730 /nfs/dbraw/zinc/55/47/30/1225554730.db2.gz LSJJPYVEVNYMOI-IAGOWNOFSA-N 1 2 349.438 2.092 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001015690069 1225554734 /nfs/dbraw/zinc/55/47/34/1225554734.db2.gz LSJJPYVEVNYMOI-IAGOWNOFSA-N 1 2 349.438 2.092 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCCN2C(=O)C(C)C)C1 ZINC000957416538 1215111258 /nfs/dbraw/zinc/11/12/58/1215111258.db2.gz YSGYNCPWHAGMCZ-QGZVFWFLSA-N 1 2 335.492 2.132 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C)n3CCC)C[C@H]21 ZINC001114726316 1215117705 /nfs/dbraw/zinc/11/77/05/1215117705.db2.gz KIAXHZFAWQZUPW-JEWRLFTDSA-N 1 2 345.491 2.145 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nnc(C)n3CCC)C[C@H]21 ZINC001114726316 1215117706 /nfs/dbraw/zinc/11/77/06/1215117706.db2.gz KIAXHZFAWQZUPW-JEWRLFTDSA-N 1 2 345.491 2.145 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2Cc3ccncc3C2)C1 ZINC001015709629 1225580404 /nfs/dbraw/zinc/58/04/04/1225580404.db2.gz AJMJRLZFGWZWJZ-UYAOXDASSA-N 1 2 346.434 2.059 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2Cc3ccncc3C2)C1 ZINC001015709629 1225580406 /nfs/dbraw/zinc/58/04/06/1225580406.db2.gz AJMJRLZFGWZWJZ-UYAOXDASSA-N 1 2 346.434 2.059 20 30 EEEDLO Cc1nc([C@@H](C)[NH+]2CCC3(CCN(C(=O)[C@@H](C)C#N)CC3)CC2)no1 ZINC000957520457 1215183414 /nfs/dbraw/zinc/18/34/14/1215183414.db2.gz VIBDSTALJRAAHU-UONOGXRCSA-N 1 2 345.447 2.303 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001015727474 1225599701 /nfs/dbraw/zinc/59/97/01/1225599701.db2.gz UTELZUXHAVYJJU-OLMNPRSZSA-N 1 2 346.858 2.307 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001015727474 1225599705 /nfs/dbraw/zinc/59/97/05/1225599705.db2.gz UTELZUXHAVYJJU-OLMNPRSZSA-N 1 2 346.858 2.307 20 30 EEEDLO C[N@@H+](Cc1cscn1)C[C@@H]1CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC000960564930 1216687690 /nfs/dbraw/zinc/68/76/90/1216687690.db2.gz RJDTWGVKMBBNCW-AWEZNQCLSA-N 1 2 329.429 2.079 20 30 EEEDLO C[N@H+](Cc1cscn1)C[C@@H]1CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC000960564930 1216687693 /nfs/dbraw/zinc/68/76/93/1216687693.db2.gz RJDTWGVKMBBNCW-AWEZNQCLSA-N 1 2 329.429 2.079 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001015829272 1225717494 /nfs/dbraw/zinc/71/74/94/1225717494.db2.gz PXPQLGPHULVLDY-VYDXJSESSA-N 1 2 347.459 2.470 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001015829272 1225717497 /nfs/dbraw/zinc/71/74/97/1225717497.db2.gz PXPQLGPHULVLDY-VYDXJSESSA-N 1 2 347.459 2.470 20 30 EEEDLO Cc1cocc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC000961474769 1217198837 /nfs/dbraw/zinc/19/88/37/1217198837.db2.gz BTSFTJGPFLCHRJ-VQFNDLOPSA-N 1 2 339.370 2.459 20 30 EEEDLO Cc1cocc1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC000961474769 1217198838 /nfs/dbraw/zinc/19/88/38/1217198838.db2.gz BTSFTJGPFLCHRJ-VQFNDLOPSA-N 1 2 339.370 2.459 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)ccn1 ZINC001015874692 1225775044 /nfs/dbraw/zinc/77/50/44/1225775044.db2.gz FFQRITLKWKVTAP-QGZVFWFLSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)ccn1 ZINC001015874692 1225775049 /nfs/dbraw/zinc/77/50/49/1225775049.db2.gz FFQRITLKWKVTAP-QGZVFWFLSA-N 1 2 338.386 2.405 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)Cc3ccco3)C2)c1 ZINC001015882155 1225782166 /nfs/dbraw/zinc/78/21/66/1225782166.db2.gz LANRZQVGXKTQNI-OAHLLOKOSA-N 1 2 327.359 2.224 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)Cc3ccco3)C2)c1 ZINC001015882155 1225782169 /nfs/dbraw/zinc/78/21/69/1225782169.db2.gz LANRZQVGXKTQNI-OAHLLOKOSA-N 1 2 327.359 2.224 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000963767480 1218025621 /nfs/dbraw/zinc/02/56/21/1218025621.db2.gz IVTNQOSHQFRSKF-GOEBONIOSA-N 1 2 344.459 2.004 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000963767480 1218025625 /nfs/dbraw/zinc/02/56/25/1218025625.db2.gz IVTNQOSHQFRSKF-GOEBONIOSA-N 1 2 344.459 2.004 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)c(C)o1 ZINC001015900092 1225804380 /nfs/dbraw/zinc/80/43/80/1225804380.db2.gz YWTTYCGQJGNEST-OAHLLOKOSA-N 1 2 342.374 2.307 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)c(C)o1 ZINC001015900092 1225804382 /nfs/dbraw/zinc/80/43/82/1225804382.db2.gz YWTTYCGQJGNEST-OAHLLOKOSA-N 1 2 342.374 2.307 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1NC(=O)c1ccon1 ZINC000965287046 1219006664 /nfs/dbraw/zinc/00/66/64/1219006664.db2.gz BAPRNJJSVDYFSP-SJCJKPOMSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1NC(=O)c1ccon1 ZINC000965287046 1219006667 /nfs/dbraw/zinc/00/66/67/1219006667.db2.gz BAPRNJJSVDYFSP-SJCJKPOMSA-N 1 2 342.374 2.326 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@H]2C)[nH]1 ZINC000965622318 1219175995 /nfs/dbraw/zinc/17/59/95/1219175995.db2.gz IRDIYGCRGHSTRG-ACJLOTCBSA-N 1 2 337.427 2.230 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3C#N)CC[C@H]2C)[nH]1 ZINC000965622318 1219175998 /nfs/dbraw/zinc/17/59/98/1219175998.db2.gz IRDIYGCRGHSTRG-ACJLOTCBSA-N 1 2 337.427 2.230 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](Nc2cccc(F)c2C#N)[C@@H](C)C1 ZINC001067127569 1225877877 /nfs/dbraw/zinc/87/78/77/1225877877.db2.gz QDSXNBWMBOAJAB-GTNSWQLSSA-N 1 2 341.390 2.230 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@@H](C)[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)s1 ZINC000965899147 1219337847 /nfs/dbraw/zinc/33/78/47/1219337847.db2.gz DZTGKXIMDIVIMM-ABAIWWIYSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@@H](C)[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)s1 ZINC000965899147 1219337848 /nfs/dbraw/zinc/33/78/48/1219337848.db2.gz DZTGKXIMDIVIMM-ABAIWWIYSA-N 1 2 343.456 2.292 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(C3CC3)n(C)n2)C1 ZINC000966567238 1219851750 /nfs/dbraw/zinc/85/17/50/1219851750.db2.gz QXDSQONPAYPTMN-IAQYHMDHSA-N 1 2 336.867 2.490 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(C3CC3)n(C)n2)C1 ZINC000966567238 1219851754 /nfs/dbraw/zinc/85/17/54/1219851754.db2.gz QXDSQONPAYPTMN-IAQYHMDHSA-N 1 2 336.867 2.490 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C)C1 ZINC000966604958 1219882619 /nfs/dbraw/zinc/88/26/19/1219882619.db2.gz AUXSEOIYFRWWNS-KGLIPLIRSA-N 1 2 344.459 2.007 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ncccc2F)C1 ZINC000968017584 1220987523 /nfs/dbraw/zinc/98/75/23/1220987523.db2.gz QHCNESHKYJVRLK-ABAIWWIYSA-N 1 2 325.815 2.342 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ncccc2F)C1 ZINC000968017584 1220987528 /nfs/dbraw/zinc/98/75/28/1220987528.db2.gz QHCNESHKYJVRLK-ABAIWWIYSA-N 1 2 325.815 2.342 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)c3cc(Cl)no3)C2)ccc1F ZINC001016064951 1226021856 /nfs/dbraw/zinc/02/18/56/1226021856.db2.gz ALDLHNMKCCBDPW-LBPRGKRZSA-N 1 2 348.765 2.343 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3cc(Cl)no3)C2)ccc1F ZINC001016064951 1226021858 /nfs/dbraw/zinc/02/18/58/1226021858.db2.gz ALDLHNMKCCBDPW-LBPRGKRZSA-N 1 2 348.765 2.343 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc3c(cnn3C)c2)C1 ZINC000968476545 1221335439 /nfs/dbraw/zinc/33/54/39/1221335439.db2.gz NIYPPADTENLBNV-IAQYHMDHSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc3c(cnn3C)c2)C1 ZINC000968476545 1221335442 /nfs/dbraw/zinc/33/54/42/1221335442.db2.gz NIYPPADTENLBNV-IAQYHMDHSA-N 1 2 347.850 2.161 20 30 EEEDLO Cc1cnc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)cn1 ZINC001006651859 1221880222 /nfs/dbraw/zinc/88/02/22/1221880222.db2.gz OXEHNSCVDLZHJH-CYBMUJFWSA-N 1 2 341.440 2.113 20 30 EEEDLO Cc1cnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)cn1 ZINC001006651859 1221880227 /nfs/dbraw/zinc/88/02/27/1221880227.db2.gz OXEHNSCVDLZHJH-CYBMUJFWSA-N 1 2 341.440 2.113 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc[nH]3)C2)c1 ZINC001006745301 1221920174 /nfs/dbraw/zinc/92/01/74/1221920174.db2.gz ZXUVXFUGXUKZTR-OAHLLOKOSA-N 1 2 326.375 2.420 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)c3ccc[nH]3)C2)c1 ZINC001006745301 1221920176 /nfs/dbraw/zinc/92/01/76/1221920176.db2.gz ZXUVXFUGXUKZTR-OAHLLOKOSA-N 1 2 326.375 2.420 20 30 EEEDLO CCc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)[nH]n1 ZINC001006797687 1221949732 /nfs/dbraw/zinc/94/97/32/1221949732.db2.gz NDJQRZMMPDQIPC-ZDUSSCGKSA-N 1 2 343.456 2.300 20 30 EEEDLO CCc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)[nH]n1 ZINC001006797687 1221949736 /nfs/dbraw/zinc/94/97/36/1221949736.db2.gz NDJQRZMMPDQIPC-ZDUSSCGKSA-N 1 2 343.456 2.300 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCCOC1 ZINC001006881304 1221997019 /nfs/dbraw/zinc/99/70/19/1221997019.db2.gz MRJPDGHVJXMEPY-HKUYNNGSSA-N 1 2 344.430 2.184 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCCOC1 ZINC001006881304 1221997023 /nfs/dbraw/zinc/99/70/23/1221997023.db2.gz MRJPDGHVJXMEPY-HKUYNNGSSA-N 1 2 344.430 2.184 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2ccnc(F)c2)C1 ZINC001006904811 1222005375 /nfs/dbraw/zinc/00/53/75/1222005375.db2.gz KSVBUTJIXVVQJN-KRWDZBQOSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2ccnc(F)c2)C1 ZINC001006904811 1222005380 /nfs/dbraw/zinc/00/53/80/1222005380.db2.gz KSVBUTJIXVVQJN-KRWDZBQOSA-N 1 2 338.386 2.487 20 30 EEEDLO CCn1nccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001007198558 1222127110 /nfs/dbraw/zinc/12/71/10/1222127110.db2.gz HAOZJASBLDMNIV-KRWDZBQOSA-N 1 2 337.427 2.169 20 30 EEEDLO CCn1nccc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001007198558 1222127112 /nfs/dbraw/zinc/12/71/12/1222127112.db2.gz HAOZJASBLDMNIV-KRWDZBQOSA-N 1 2 337.427 2.169 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)Cc2cncs2)C1 ZINC001007539091 1222284522 /nfs/dbraw/zinc/28/45/22/1222284522.db2.gz OQKVLWBCQWANQI-MRXNPFEDSA-N 1 2 340.452 2.338 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)Cc2cncs2)C1 ZINC001007539091 1222284524 /nfs/dbraw/zinc/28/45/24/1222284524.db2.gz OQKVLWBCQWANQI-MRXNPFEDSA-N 1 2 340.452 2.338 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnc(C)nc3)C2)cc1 ZINC001008147402 1222651964 /nfs/dbraw/zinc/65/19/64/1222651964.db2.gz KNZAEVMLYALFKV-IBGZPJMESA-N 1 2 334.423 2.161 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cnc(C)nc3)C2)cc1 ZINC001008147402 1222651968 /nfs/dbraw/zinc/65/19/68/1222651968.db2.gz KNZAEVMLYALFKV-IBGZPJMESA-N 1 2 334.423 2.161 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001008158828 1222660304 /nfs/dbraw/zinc/66/03/04/1222660304.db2.gz BZBCHQPNLOTIMD-LIRRHRJNSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001008558075 1222925420 /nfs/dbraw/zinc/92/54/20/1222925420.db2.gz GZEQNMZINUJHKU-OAGGEKHMSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001008558075 1222925423 /nfs/dbraw/zinc/92/54/23/1222925423.db2.gz GZEQNMZINUJHKU-OAGGEKHMSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001008581181 1222941800 /nfs/dbraw/zinc/94/18/00/1222941800.db2.gz JEGPVHVPDVTTJQ-UXLLHSPISA-N 1 2 347.459 2.470 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001008581181 1222941802 /nfs/dbraw/zinc/94/18/02/1222941802.db2.gz JEGPVHVPDVTTJQ-UXLLHSPISA-N 1 2 347.459 2.470 20 30 EEEDLO CCc1nc[nH]c1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001009364826 1223223349 /nfs/dbraw/zinc/22/33/49/1223223349.db2.gz QQWCVXYLAPGLCY-INIZCTEOSA-N 1 2 337.427 2.238 20 30 EEEDLO CCc1nc[nH]c1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001009364826 1223223352 /nfs/dbraw/zinc/22/33/52/1223223352.db2.gz QQWCVXYLAPGLCY-INIZCTEOSA-N 1 2 337.427 2.238 20 30 EEEDLO Cc1nccc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)n1 ZINC001009556502 1223284341 /nfs/dbraw/zinc/28/43/41/1223284341.db2.gz BJVDEYNUDLPXBR-GOSISDBHSA-N 1 2 334.423 2.031 20 30 EEEDLO Cc1nccc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)n1 ZINC001009556502 1223284344 /nfs/dbraw/zinc/28/43/44/1223284344.db2.gz BJVDEYNUDLPXBR-GOSISDBHSA-N 1 2 334.423 2.031 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001010049147 1223523813 /nfs/dbraw/zinc/52/38/13/1223523813.db2.gz HUAHQSWPWLLCGI-INIZCTEOSA-N 1 2 339.395 2.473 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001010049147 1223523815 /nfs/dbraw/zinc/52/38/15/1223523815.db2.gz HUAHQSWPWLLCGI-INIZCTEOSA-N 1 2 339.395 2.473 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)cn1 ZINC001010177624 1223589515 /nfs/dbraw/zinc/58/95/15/1223589515.db2.gz LFMBDUOXQASLNT-CQSZACIVSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)cn1 ZINC001010177624 1223589517 /nfs/dbraw/zinc/58/95/17/1223589517.db2.gz LFMBDUOXQASLNT-CQSZACIVSA-N 1 2 326.425 2.328 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)c1ccccc1O ZINC001010265924 1223634424 /nfs/dbraw/zinc/63/44/24/1223634424.db2.gz DKUWCLZFGDHZQB-QGZVFWFLSA-N 1 2 338.382 2.387 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1ccccc1O ZINC001010265924 1223634427 /nfs/dbraw/zinc/63/44/27/1223634427.db2.gz DKUWCLZFGDHZQB-QGZVFWFLSA-N 1 2 338.382 2.387 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(F)nc3)C2)ccc1F ZINC001010383854 1223692674 /nfs/dbraw/zinc/69/26/74/1223692674.db2.gz HSPOARABVWUPTJ-OAHLLOKOSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(F)nc3)C2)ccc1F ZINC001010383854 1223692676 /nfs/dbraw/zinc/69/26/76/1223692676.db2.gz HSPOARABVWUPTJ-OAHLLOKOSA-N 1 2 342.349 2.236 20 30 EEEDLO Cc1ccncc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010425628 1223714639 /nfs/dbraw/zinc/71/46/39/1223714639.db2.gz BGNJKUBFUZPSNV-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1ccncc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010425628 1223714641 /nfs/dbraw/zinc/71/46/41/1223714641.db2.gz BGNJKUBFUZPSNV-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(F)ccc3F)C2)[nH]1 ZINC001010652888 1223834634 /nfs/dbraw/zinc/83/46/34/1223834634.db2.gz WPMRHOJBBGIHEO-CQSZACIVSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(F)ccc3F)C2)[nH]1 ZINC001010652888 1223834638 /nfs/dbraw/zinc/83/46/38/1223834638.db2.gz WPMRHOJBBGIHEO-CQSZACIVSA-N 1 2 330.338 2.169 20 30 EEEDLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1C1CC1 ZINC001016406960 1226445391 /nfs/dbraw/zinc/44/53/91/1226445391.db2.gz RSDHBEPEMOBKMH-KRWDZBQOSA-N 1 2 349.438 2.173 20 30 EEEDLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1C1CC1 ZINC001016406960 1226445397 /nfs/dbraw/zinc/44/53/97/1226445397.db2.gz RSDHBEPEMOBKMH-KRWDZBQOSA-N 1 2 349.438 2.173 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001014463887 1226647450 /nfs/dbraw/zinc/64/74/50/1226647450.db2.gz UIKVIIQBNFKUMJ-OAGGEKHMSA-N 1 2 335.835 2.102 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001014463887 1226647452 /nfs/dbraw/zinc/64/74/52/1226647452.db2.gz UIKVIIQBNFKUMJ-OAGGEKHMSA-N 1 2 335.835 2.102 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccnn2C(F)F)C1 ZINC001014575599 1226796864 /nfs/dbraw/zinc/79/68/64/1226796864.db2.gz BEKZUSIJPZCTJG-AWEZNQCLSA-N 1 2 345.353 2.154 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccnn2C(F)F)C1 ZINC001014575599 1226796870 /nfs/dbraw/zinc/79/68/70/1226796870.db2.gz BEKZUSIJPZCTJG-AWEZNQCLSA-N 1 2 345.353 2.154 20 30 EEEDLO N#Cc1cnccc1N1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001058267335 1248780423 /nfs/dbraw/zinc/78/04/23/1248780423.db2.gz UZHZSKWOEHOKNQ-OAHLLOKOSA-N 1 2 346.394 2.228 20 30 EEEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc[nH]c(=O)c2s1 ZINC001017686551 1227639448 /nfs/dbraw/zinc/63/94/48/1227639448.db2.gz KJOMFELICOZMOY-OKILXGFUSA-N 1 2 343.452 2.455 20 30 EEEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc[nH]c(=O)c2s1 ZINC001017686551 1227639451 /nfs/dbraw/zinc/63/94/51/1227639451.db2.gz KJOMFELICOZMOY-OKILXGFUSA-N 1 2 343.452 2.455 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nc(C(C)C)no3)C2)cc1 ZINC001019224543 1228892645 /nfs/dbraw/zinc/89/26/45/1228892645.db2.gz WAPFSIQRQTWHKJ-INIZCTEOSA-N 1 2 338.411 2.179 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH2+]Cc3nc(CCCC)no3)C2)C1 ZINC001019353737 1229022068 /nfs/dbraw/zinc/02/20/68/1229022068.db2.gz YZXDZUXWVGXFDO-AWEZNQCLSA-N 1 2 332.448 2.459 20 30 EEEDLO CCCc1nc(C)c(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001038156316 1229669077 /nfs/dbraw/zinc/66/90/77/1229669077.db2.gz YUHTXCGMGHHOHG-AWEZNQCLSA-N 1 2 341.415 2.140 20 30 EEEDLO CCCc1nc(C)c(C[N@H+]2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001038156316 1229669079 /nfs/dbraw/zinc/66/90/79/1229669079.db2.gz YUHTXCGMGHHOHG-AWEZNQCLSA-N 1 2 341.415 2.140 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc3cc[nH]c3n2)c1 ZINC001038375439 1229777507 /nfs/dbraw/zinc/77/75/07/1229777507.db2.gz BUFVGHLUIMKRTR-QGZVFWFLSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc3cc[nH]c3n2)c1 ZINC001038375439 1229777511 /nfs/dbraw/zinc/77/75/11/1229777511.db2.gz BUFVGHLUIMKRTR-QGZVFWFLSA-N 1 2 345.406 2.439 20 30 EEEDLO CC(C)n1cnc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)c1 ZINC001038550554 1229911011 /nfs/dbraw/zinc/91/10/11/1229911011.db2.gz GHVWLHGSWCHWOK-KRWDZBQOSA-N 1 2 337.427 2.340 20 30 EEEDLO CC(C)n1cnc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)c1 ZINC001038550554 1229911015 /nfs/dbraw/zinc/91/10/15/1229911015.db2.gz GHVWLHGSWCHWOK-KRWDZBQOSA-N 1 2 337.427 2.340 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]2[C@H](C)c2ccccc2F)nn1 ZINC001038780514 1230048824 /nfs/dbraw/zinc/04/88/24/1230048824.db2.gz DJPLPVCCKAHRNT-ZIAGYGMSSA-N 1 2 343.406 2.169 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+]2[C@H](C)c2ccccc2F)nn1 ZINC001038780514 1230048827 /nfs/dbraw/zinc/04/88/27/1230048827.db2.gz DJPLPVCCKAHRNT-ZIAGYGMSSA-N 1 2 343.406 2.169 20 30 EEEDLO N#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039211180 1230437980 /nfs/dbraw/zinc/43/79/80/1230437980.db2.gz DIGBUHHKUIUSNJ-KSSFIOAISA-N 1 2 337.427 2.403 20 30 EEEDLO COc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)sn1 ZINC001039374028 1230560760 /nfs/dbraw/zinc/56/07/60/1230560760.db2.gz ZOBWDGVNFWTAQY-CABCVRRESA-N 1 2 345.468 2.130 20 30 EEEDLO COc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)sn1 ZINC001039374028 1230560763 /nfs/dbraw/zinc/56/07/63/1230560763.db2.gz ZOBWDGVNFWTAQY-CABCVRRESA-N 1 2 345.468 2.130 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH]ncc21 ZINC001039375816 1230562373 /nfs/dbraw/zinc/56/23/73/1230562373.db2.gz YSMSSUQJAWPWPH-PMPSAXMXSA-N 1 2 328.460 2.471 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH]ncc21 ZINC001039375816 1230562376 /nfs/dbraw/zinc/56/23/76/1230562376.db2.gz YSMSSUQJAWPWPH-PMPSAXMXSA-N 1 2 328.460 2.471 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001067300083 1230674589 /nfs/dbraw/zinc/67/45/89/1230674589.db2.gz YKZJSQCUTWXLFU-GJZGRUSLSA-N 1 2 334.464 2.107 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@H]2CCCN(C)C2=O)C1 ZINC001039906164 1230900610 /nfs/dbraw/zinc/90/06/10/1230900610.db2.gz HKQYWZGTFBMFPU-BBWFWOEESA-N 1 2 345.487 2.029 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@H]2CCCN(C)C2=O)C1 ZINC001039906164 1230900613 /nfs/dbraw/zinc/90/06/13/1230900613.db2.gz HKQYWZGTFBMFPU-BBWFWOEESA-N 1 2 345.487 2.029 20 30 EEEDLO C[C@H](CC(=O)N1CC[C@H](Nc2ccc(C#N)nc2)[C@@H]1C)n1cc[nH+]c1 ZINC001040260496 1231138584 /nfs/dbraw/zinc/13/85/84/1231138584.db2.gz LQAPRMCUCRVIAH-KEYYUXOJSA-N 1 2 338.415 2.202 20 30 EEEDLO Cc1[nH]ccc1C(=O)N(C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001042594467 1232115333 /nfs/dbraw/zinc/11/53/33/1232115333.db2.gz HMURGSNFOBTYJM-UHFFFAOYSA-N 1 2 338.411 2.182 20 30 EEEDLO Cc1nc(N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)c2c([nH+]1)CCCC2 ZINC001043095143 1232261173 /nfs/dbraw/zinc/26/11/73/1232261173.db2.gz IZXNHMWEDAQVCG-XHBSWPGZSA-N 1 2 327.432 2.082 20 30 EEEDLO C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1c1cccc(F)c1C#N ZINC001067550954 1249210902 /nfs/dbraw/zinc/21/09/02/1249210902.db2.gz ZUOXEVGEIZTDAQ-STQMWFEESA-N 1 2 341.390 2.137 20 30 EEEDLO C=C(C)CC[NH+]1CC(N(C)C(=O)c2nnc3ccccc3c2O)C1 ZINC001043992390 1232655723 /nfs/dbraw/zinc/65/57/23/1232655723.db2.gz MIQSKSARZAJAER-UHFFFAOYSA-N 1 2 326.400 2.058 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](CCOc3cccc(C)c3)C2)cn1 ZINC001044203958 1232786218 /nfs/dbraw/zinc/78/62/18/1232786218.db2.gz NUBSQTUJBKTDIN-UHFFFAOYSA-N 1 2 349.434 2.207 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@@]2(CC[N@@H+](Cc3ncnn3C)C2)C1 ZINC001045958387 1234231385 /nfs/dbraw/zinc/23/13/85/1234231385.db2.gz RNPOGJGVMJEPNH-IBGZPJMESA-N 1 2 345.491 2.232 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@@]2(CC[N@H+](Cc3ncnn3C)C2)C1 ZINC001045958387 1234231389 /nfs/dbraw/zinc/23/13/89/1234231389.db2.gz RNPOGJGVMJEPNH-IBGZPJMESA-N 1 2 345.491 2.232 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ncc(C)s3)C2)c1 ZINC001046605724 1234988492 /nfs/dbraw/zinc/98/84/92/1234988492.db2.gz XBJKUCWTZXLURN-SFHVURJKSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ncc(C)s3)C2)c1 ZINC001046605724 1234988495 /nfs/dbraw/zinc/98/84/95/1234988495.db2.gz XBJKUCWTZXLURN-SFHVURJKSA-N 1 2 340.452 2.222 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001046631303 1235014475 /nfs/dbraw/zinc/01/44/75/1235014475.db2.gz FKSVBPNHLJFHRY-ZRGWGRIASA-N 1 2 345.443 2.224 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001046631303 1235014481 /nfs/dbraw/zinc/01/44/81/1235014481.db2.gz FKSVBPNHLJFHRY-ZRGWGRIASA-N 1 2 345.443 2.224 20 30 EEEDLO CC(=O)NC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCC1(F)F ZINC001046903056 1235291757 /nfs/dbraw/zinc/29/17/57/1235291757.db2.gz YIIFHILIKTVHPJ-CQSZACIVSA-N 1 2 325.334 2.291 20 30 EEEDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCC1(F)F ZINC001046903056 1235291759 /nfs/dbraw/zinc/29/17/59/1235291759.db2.gz YIIFHILIKTVHPJ-CQSZACIVSA-N 1 2 325.334 2.291 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096184882 1236019848 /nfs/dbraw/zinc/01/98/48/1236019848.db2.gz CCWGOUIOWMGMKE-GDBMZVCRSA-N 1 2 344.459 2.339 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001054975941 1249502198 /nfs/dbraw/zinc/50/21/98/1249502198.db2.gz HCLDBSWYLRLTFP-TZMCWYRMSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001096228074 1236361219 /nfs/dbraw/zinc/36/12/19/1236361219.db2.gz HCEXZEFOEJUUGD-UGSOOPFHSA-N 1 2 342.447 2.051 20 30 EEEDLO CCC1(C(=O)NCC[NH+]2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC001096298185 1237196589 /nfs/dbraw/zinc/19/65/89/1237196589.db2.gz VJNZYLFVZQXGRO-UHFFFAOYSA-N 1 2 344.434 2.126 20 30 EEEDLO C=CCCCC(=O)N(C)CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001067832570 1249725541 /nfs/dbraw/zinc/72/55/41/1249725541.db2.gz DLRVRHGWYLASFZ-UHFFFAOYSA-N 1 2 334.464 2.351 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CCn1cc[nH+]c1 ZINC001056536952 1239434226 /nfs/dbraw/zinc/43/42/26/1239434226.db2.gz DELFGNDBSYTEIF-IRXDYDNUSA-N 1 2 344.459 2.221 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096456510 1239611447 /nfs/dbraw/zinc/61/14/47/1239611447.db2.gz HSADIKRQMZCGLX-APWZRJJASA-N 1 2 346.475 2.326 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C)s3)C[C@@H]2C1 ZINC001049025004 1239788359 /nfs/dbraw/zinc/78/83/59/1239788359.db2.gz CRCGTBWBPUTBAS-JKIFEVAISA-N 1 2 334.489 2.339 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C)s3)C[C@@H]2C1 ZINC001049025004 1239788363 /nfs/dbraw/zinc/78/83/63/1239788363.db2.gz CRCGTBWBPUTBAS-JKIFEVAISA-N 1 2 334.489 2.339 20 30 EEEDLO 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LYMKDJLTNJPQLA-FOGDFJRCSA-N 1 2 344.793 2.445 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnn1C1CCCC1 ZINC001050939057 1244668059 /nfs/dbraw/zinc/66/80/59/1244668059.db2.gz CGONVZZBHYFISI-MRXNPFEDSA-N 1 2 332.448 2.005 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnn1C1CCCC1 ZINC001050939057 1244668070 /nfs/dbraw/zinc/66/80/70/1244668070.db2.gz CGONVZZBHYFISI-MRXNPFEDSA-N 1 2 332.448 2.005 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001052691577 1244763115 /nfs/dbraw/zinc/76/31/15/1244763115.db2.gz SMRQUOAZEIRYSA-CABCVRRESA-N 1 2 346.475 2.155 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC001051026217 1244871974 /nfs/dbraw/zinc/87/19/74/1244871974.db2.gz NZAROGPXZFDYSJ-IEBWSBKVSA-N 1 2 344.455 2.082 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC001051026217 1244871982 /nfs/dbraw/zinc/87/19/82/1244871982.db2.gz NZAROGPXZFDYSJ-IEBWSBKVSA-N 1 2 344.455 2.082 20 30 EEEDLO 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/nfs/dbraw/zinc/37/10/32/1245371032.db2.gz UWALWDLCXYXOOK-KRWDZBQOSA-N 1 2 343.402 2.381 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CCCC2CCC2)nc1 ZINC001051215611 1245401206 /nfs/dbraw/zinc/40/12/06/1245401206.db2.gz XGQDIZDIXSMLDV-SFHVURJKSA-N 1 2 341.455 2.074 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CCCC2CCC2)nc1 ZINC001051215611 1245401214 /nfs/dbraw/zinc/40/12/14/1245401214.db2.gz XGQDIZDIXSMLDV-SFHVURJKSA-N 1 2 341.455 2.074 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cccnc1OC(C)C ZINC001051277297 1245468174 /nfs/dbraw/zinc/46/81/74/1245468174.db2.gz PKRCNWXPCNDLOG-MRXNPFEDSA-N 1 2 347.459 2.266 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccnc1OC(C)C ZINC001051277297 1245468176 /nfs/dbraw/zinc/46/81/76/1245468176.db2.gz PKRCNWXPCNDLOG-MRXNPFEDSA-N 1 2 347.459 2.266 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001053136543 1245965869 /nfs/dbraw/zinc/96/58/69/1245965869.db2.gz BWFRKDLUCAXHLG-JKSUJKDBSA-N 1 2 346.475 2.086 20 30 EEEDLO 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/nfs/dbraw/zinc/00/11/43/1306001143.db2.gz PFRGODPMSZZPRB-XHDPSFHLSA-N 1 2 338.333 2.341 20 30 EEEDLO C[C@H]1C[N@@H+](Cc2cn3cc(C#N)ccc3n2)CC[C@]1(O)C(F)(F)F ZINC001237609270 1306001152 /nfs/dbraw/zinc/00/11/52/1306001152.db2.gz PFRGODPMSZZPRB-XHDPSFHLSA-N 1 2 338.333 2.341 20 30 EEEDLO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@@H]4C[C@@]43C(=O)NCC(F)F)c2c1 ZINC001278285520 1308971270 /nfs/dbraw/zinc/97/12/70/1308971270.db2.gz KNCAUOCFKUQDBN-ACJLOTCBSA-N 1 2 344.365 2.385 20 30 EEEDLO N#Cc1ccc2[nH]cc(C[N@@H+]3CC[C@@H]4C[C@@]43C(=O)NCC(F)F)c2c1 ZINC001278285520 1308971272 /nfs/dbraw/zinc/97/12/72/1308971272.db2.gz KNCAUOCFKUQDBN-ACJLOTCBSA-N 1 2 344.365 2.385 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001120163910 1309357941 /nfs/dbraw/zinc/35/79/41/1309357941.db2.gz IJFOMVGJSUXCPY-CQSZACIVSA-N 1 2 331.464 2.080 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001120163910 1309357948 /nfs/dbraw/zinc/35/79/48/1309357948.db2.gz IJFOMVGJSUXCPY-CQSZACIVSA-N 1 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/nfs/dbraw/zinc/75/94/26/1314759426.db2.gz LLCGDASIPKUANZ-UHFFFAOYSA-N 1 2 347.846 2.471 20 30 EEEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccnc(NC)n1)CCO2 ZINC001140041958 1314803640 /nfs/dbraw/zinc/80/36/40/1314803640.db2.gz QPIHPFPQQUJJAT-MAUKXSAKSA-N 1 2 332.448 2.092 20 30 EEEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccnc(NC)n1)CCO2 ZINC001140041958 1314803642 /nfs/dbraw/zinc/80/36/42/1314803642.db2.gz QPIHPFPQQUJJAT-MAUKXSAKSA-N 1 2 332.448 2.092 20 30 EEEDLO C#CCO[C@H](C)C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000834644971 1314857801 /nfs/dbraw/zinc/85/78/01/1314857801.db2.gz WBPMVBVRTWJJPV-QGZVFWFLSA-N 1 2 337.423 2.243 20 30 EEEDLO CC(C)[C@H]1N(C[N@H+](C)Cc2cccc(C#N)c2)C(=O)[C@]12CCCO2 ZINC000839959043 1315264892 /nfs/dbraw/zinc/26/48/92/1315264892.db2.gz IYGZMOVCLAKAQI-MJGOQNOKSA-N 1 2 327.428 2.364 20 30 EEEDLO CC(C)[C@H]1N(C[N@@H+](C)Cc2cccc(C#N)c2)C(=O)[C@]12CCCO2 ZINC000839959043 1315264897 /nfs/dbraw/zinc/26/48/97/1315264897.db2.gz IYGZMOVCLAKAQI-MJGOQNOKSA-N 1 2 327.428 2.364 20 30 EEEDLO CC(C)[C@H]1N(C[N@H+](C)Cc2cccc(C#N)c2)C(=O)[C@@]12CCCO2 ZINC000839959041 1315265250 /nfs/dbraw/zinc/26/52/50/1315265250.db2.gz IYGZMOVCLAKAQI-IEBWSBKVSA-N 1 2 327.428 2.364 20 30 EEEDLO CC(C)[C@H]1N(C[N@@H+](C)Cc2cccc(C#N)c2)C(=O)[C@@]12CCCO2 ZINC000839959041 1315265253 /nfs/dbraw/zinc/26/52/53/1315265253.db2.gz IYGZMOVCLAKAQI-IEBWSBKVSA-N 1 2 327.428 2.364 20 30 EEEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000839961762 1315265828 /nfs/dbraw/zinc/26/58/28/1315265828.db2.gz YDCOQVRZWMOVOE-HKUYNNGSSA-N 1 2 325.412 2.118 20 30 EEEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000839961762 1315265833 /nfs/dbraw/zinc/26/58/33/1315265833.db2.gz YDCOQVRZWMOVOE-HKUYNNGSSA-N 1 2 325.412 2.118 20 30 EEEDLO N#Cc1cnc(NC(=O)/C=C/c2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC001142367599 1315585392 /nfs/dbraw/zinc/58/53/92/1315585392.db2.gz HRFWBVVZJAZVQX-AATRIKPKSA-N 1 2 330.351 2.245 20 30 EEEDLO C[C@@H](O)CN(C)[NH+]=Cc1nc(N(C)C)n(-c2ccccc2)c1Cl ZINC000841656500 1315591675 /nfs/dbraw/zinc/59/16/75/1315591675.db2.gz VGHCMACPAWMZLE-GFCCVEGCSA-N 1 2 335.839 2.238 20 30 EEEDLO CC(C)[C@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)C(=O)NC1CCCC1 ZINC000842034915 1315653140 /nfs/dbraw/zinc/65/31/40/1315653140.db2.gz DJDNXCRALVHKDF-KRWDZBQOSA-N 1 2 345.443 2.342 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@H]1C[N@H+](Cc2cc(C)n(C)n2)CCCO1 ZINC001150159559 1316184448 /nfs/dbraw/zinc/18/44/48/1316184448.db2.gz KLHRWHLDIJPHPC-AEFFLSMTSA-N 1 2 348.491 2.038 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@H]1C[N@@H+](Cc2cc(C)n(C)n2)CCCO1 ZINC001150159559 1316184452 /nfs/dbraw/zinc/18/44/52/1316184452.db2.gz KLHRWHLDIJPHPC-AEFFLSMTSA-N 1 2 348.491 2.038 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C(C2CC2)C2CC2)C1 ZINC001150562910 1316301030 /nfs/dbraw/zinc/30/10/30/1316301030.db2.gz TZZFFEQVUGEMFS-HNNXBMFYSA-N 1 2 326.868 2.382 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C(C2CC2)C2CC2)C1 ZINC001150562910 1316301034 /nfs/dbraw/zinc/30/10/34/1316301034.db2.gz TZZFFEQVUGEMFS-HNNXBMFYSA-N 1 2 326.868 2.382 20 30 EEEDLO C#CCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1noc2c1COCC2 ZINC001152842159 1316733184 /nfs/dbraw/zinc/73/31/84/1316733184.db2.gz PFXNUSBMMZRRIN-OAHLLOKOSA-N 1 2 347.459 2.268 20 30 EEEDLO C#CCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1noc2c1COCC2 ZINC001152842159 1316733187 /nfs/dbraw/zinc/73/31/87/1316733187.db2.gz PFXNUSBMMZRRIN-OAHLLOKOSA-N 1 2 347.459 2.268 20 30 EEEDLO CC[N@H+](Cc1nc(-c2ccco2)no1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207361 1316791432 /nfs/dbraw/zinc/79/14/32/1316791432.db2.gz GTCMLBKXRNGMHG-CQSZACIVSA-N 1 2 344.415 2.316 20 30 EEEDLO CC[N@@H+](Cc1nc(-c2ccco2)no1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207361 1316791435 /nfs/dbraw/zinc/79/14/35/1316791435.db2.gz GTCMLBKXRNGMHG-CQSZACIVSA-N 1 2 344.415 2.316 20 30 EEEDLO C=CCC1(C(=O)NCC[NH2+][C@H](C)c2nc(COC)no2)CCCC1 ZINC001153809226 1316888493 /nfs/dbraw/zinc/88/84/93/1316888493.db2.gz GJOUZDRXWRURPM-CYBMUJFWSA-N 1 2 336.436 2.119 20 30 EEEDLO C[N@H+](Cc1cnn2ccc(C#N)cc12)C1CN(C(=O)OC(C)(C)C)C1 ZINC001249113099 1317004923 /nfs/dbraw/zinc/00/49/23/1317004923.db2.gz DWLKDONQWAOAJZ-UHFFFAOYSA-N 1 2 341.415 2.257 20 30 EEEDLO C[N@@H+](Cc1cnn2ccc(C#N)cc12)C1CN(C(=O)OC(C)(C)C)C1 ZINC001249113099 1317004928 /nfs/dbraw/zinc/00/49/28/1317004928.db2.gz DWLKDONQWAOAJZ-UHFFFAOYSA-N 1 2 341.415 2.257 20 30 EEEDLO C#CCOC[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001251857758 1317509930 /nfs/dbraw/zinc/50/99/30/1317509930.db2.gz JNAQYDYEFKBEJN-HOTGVXAUSA-N 1 2 343.345 2.089 20 30 EEEDLO C#CCOC[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001251857758 1317509935 /nfs/dbraw/zinc/50/99/35/1317509935.db2.gz JNAQYDYEFKBEJN-HOTGVXAUSA-N 1 2 343.345 2.089 20 30 EEEDLO N#C[C@H]1C[NH2+]CCN1[C@H](F)Oc1cccc(-c2ccc(Cl)nn2)c1 ZINC001156333203 1317968823 /nfs/dbraw/zinc/96/88/23/1317968823.db2.gz WPHNLODVKKDXGK-LRDDRELGSA-N 1 2 347.781 2.226 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2OCC[N@H+]([C@H]3CC[C@H](C#N)C3)[C@H]2C1 ZINC001254660189 1318158141 /nfs/dbraw/zinc/15/81/41/1318158141.db2.gz WFZODHNYCLCHAQ-VGWMRTNUSA-N 1 2 335.448 2.389 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2OCC[N@@H+]([C@H]3CC[C@H](C#N)C3)[C@H]2C1 ZINC001254660189 1318158155 /nfs/dbraw/zinc/15/81/55/1318158155.db2.gz WFZODHNYCLCHAQ-VGWMRTNUSA-N 1 2 335.448 2.389 20 30 EEEDLO C=CCOCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC001157978743 1318956639 /nfs/dbraw/zinc/95/66/39/1318956639.db2.gz XHTAKWMBXGLPNV-OLZOCXBDSA-N 1 2 340.361 2.402 20 30 EEEDLO C=CCOCC[N@H+](C)C[C@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC001157978743 1318956640 /nfs/dbraw/zinc/95/66/40/1318956640.db2.gz XHTAKWMBXGLPNV-OLZOCXBDSA-N 1 2 340.361 2.402 20 30 EEEDLO C=CCOCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)C(F)(F)F ZINC001157978743 1318956642 /nfs/dbraw/zinc/95/66/42/1318956642.db2.gz XHTAKWMBXGLPNV-OLZOCXBDSA-N 1 2 340.361 2.402 20 30 EEEDLO C=CCOCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)C(F)(F)F ZINC001157978743 1318956644 /nfs/dbraw/zinc/95/66/44/1318956644.db2.gz XHTAKWMBXGLPNV-OLZOCXBDSA-N 1 2 340.361 2.402 20 30 EEEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cn(CC)nn1 ZINC001158011584 1318970967 /nfs/dbraw/zinc/97/09/67/1318970967.db2.gz FDFONKKLLXZMGA-QGZVFWFLSA-N 1 2 333.480 2.467 20 30 EEEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cn(CC)nn1 ZINC001158011584 1318970968 /nfs/dbraw/zinc/97/09/68/1318970968.db2.gz FDFONKKLLXZMGA-QGZVFWFLSA-N 1 2 333.480 2.467 20 30 EEEDLO C#CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1)C(=O)OC ZINC001257582173 1319028636 /nfs/dbraw/zinc/02/86/36/1319028636.db2.gz UUBSXLKGQCKJLS-XGUBFFRZSA-N 1 2 338.448 2.317 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(=O)Nc1ccon1 ZINC001158425710 1319233816 /nfs/dbraw/zinc/23/38/16/1319233816.db2.gz CNAPZCDVZSDDCC-OAHLLOKOSA-N 1 2 348.447 2.282 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(=O)Nc1ccon1 ZINC001158425710 1319233822 /nfs/dbraw/zinc/23/38/22/1319233822.db2.gz CNAPZCDVZSDDCC-OAHLLOKOSA-N 1 2 348.447 2.282 20 30 EEEDLO Cc1ccc([C@H](C#N)c2ccc(NC[C@H]3COCC[N@H+]3C)nn2)cc1 ZINC001158700873 1319384837 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EEEDLO C=CCCC1(C(=O)NCCC2=CC[N@H+](Cc3cn(C)nn3)CC2)CC1 ZINC001161116960 1320392072 /nfs/dbraw/zinc/39/20/72/1320392072.db2.gz WNAOGLLSRFACRJ-UHFFFAOYSA-N 1 2 343.475 2.200 20 30 EEEDLO C=CCCC1(C(=O)NCCC2=CC[N@@H+](Cc3cn(C)nn3)CC2)CC1 ZINC001161116960 1320392077 /nfs/dbraw/zinc/39/20/77/1320392077.db2.gz WNAOGLLSRFACRJ-UHFFFAOYSA-N 1 2 343.475 2.200 20 30 EEEDLO COc1ccc(Cn2c[nH+]cc2CNc2cnc(C#N)c(C#N)n2)cc1 ZINC001161512671 1320522532 /nfs/dbraw/zinc/52/25/32/1320522532.db2.gz UGZBRBJADHYRJP-UHFFFAOYSA-N 1 2 345.366 2.085 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206613919 1323546342 /nfs/dbraw/zinc/54/63/42/1323546342.db2.gz KAGGWPQBHUVGAO-CRAIPNDOSA-N 1 2 346.858 2.331 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206613919 1323546347 /nfs/dbraw/zinc/54/63/47/1323546347.db2.gz KAGGWPQBHUVGAO-CRAIPNDOSA-N 1 2 346.858 2.331 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc3n(n2)CCCC3)C[C@H]1C ZINC001206886192 1323667171 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EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccn(CC)n2)cc1 ZINC001028067207 776967212 /nfs/dbraw/zinc/96/72/12/776967212.db2.gz PVWRNUXQWNRNGP-IBGZPJMESA-N 1 2 336.439 2.279 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031865747 777903513 /nfs/dbraw/zinc/90/35/13/777903513.db2.gz HCCATYOCSCFBNO-AEFFLSMTSA-N 1 2 345.418 2.060 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000940035202 777912629 /nfs/dbraw/zinc/91/26/29/777912629.db2.gz CUNFIAQBMIOZLC-VNHYZAJKSA-N 1 2 344.459 2.005 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3cnc(C)nc3)CC2)cc1 ZINC000981730790 778115027 /nfs/dbraw/zinc/11/50/27/778115027.db2.gz QOJHTGGQNRYCTD-UHFFFAOYSA-N 1 2 334.423 2.114 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](Cc3cnc(C)nc3)CC2)cc1 ZINC000981730790 778115029 /nfs/dbraw/zinc/11/50/29/778115029.db2.gz QOJHTGGQNRYCTD-UHFFFAOYSA-N 1 2 334.423 2.114 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2C[C@H](C)Cc3cn[nH]c32)CC1 ZINC000981814506 778241891 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ZINC001032531748 790698788 /nfs/dbraw/zinc/69/87/88/790698788.db2.gz HTQPWTBLJKZKPT-OKYOBFRVSA-N 1 2 339.439 2.158 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@]2(C)C[N@@H+]([C@H](C)c3nncn3C)C[C@]2(C)C1 ZINC000982432090 780169081 /nfs/dbraw/zinc/16/90/81/780169081.db2.gz MMKDDAGCTCZGFI-ZMYBRWDISA-N 1 2 345.491 2.259 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@]2(C)C[N@H+]([C@H](C)c3nncn3C)C[C@]2(C)C1 ZINC000982432090 780169084 /nfs/dbraw/zinc/16/90/84/780169084.db2.gz MMKDDAGCTCZGFI-ZMYBRWDISA-N 1 2 345.491 2.259 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000941271365 780246089 /nfs/dbraw/zinc/24/60/89/780246089.db2.gz JKSQKJFAPNDUPN-OAHLLOKOSA-N 1 2 344.459 2.000 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCO2)[C@H]1CC ZINC001087494712 781452224 /nfs/dbraw/zinc/45/22/24/781452224.db2.gz DRQXPCDKLDFDBL-YNEHKIRRSA-N 1 2 331.254 2.043 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCO2)[C@H]1CC ZINC001087494712 781452229 /nfs/dbraw/zinc/45/22/29/781452229.db2.gz 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CC[C@@H]1[C@@H](NC(=O)c2ncccc2O)CC[N@H+]1CC#Cc1ccccc1 ZINC001087552176 781813548 /nfs/dbraw/zinc/81/35/48/781813548.db2.gz QGSJENIIYDVQCB-ZWKOTPCHSA-N 1 2 349.434 2.422 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCCCC[C@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001088280870 783349435 /nfs/dbraw/zinc/34/94/35/783349435.db2.gz CROIVNOKJIPOFE-HIFRSBDPSA-N 1 2 345.447 2.358 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[NH2+][C@H](C)c2nc(COC)no2)C1 ZINC001035044675 783609135 /nfs/dbraw/zinc/60/91/35/783609135.db2.gz MJXCHHJNPSQBFO-ZIAGYGMSSA-N 1 2 348.447 2.214 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000991848879 790992653 /nfs/dbraw/zinc/99/26/53/790992653.db2.gz QOCLANNBILVSLI-IBGZPJMESA-N 1 2 340.427 2.186 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCc3cc(C)ccc3O2)C1 ZINC001035444411 784540174 /nfs/dbraw/zinc/54/01/74/784540174.db2.gz RDILJSFBXPNPKU-MJGOQNOKSA-N 1 2 344.455 2.082 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCc3cc(C)ccc3O2)C1 ZINC001035444411 784540183 /nfs/dbraw/zinc/54/01/83/784540183.db2.gz RDILJSFBXPNPKU-MJGOQNOKSA-N 1 2 344.455 2.082 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC001035518789 784657772 /nfs/dbraw/zinc/65/77/72/784657772.db2.gz IHDIGMVHDUVRGG-ZDUSSCGKSA-N 1 2 346.456 2.145 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC001035518789 784657776 /nfs/dbraw/zinc/65/77/76/784657776.db2.gz IHDIGMVHDUVRGG-ZDUSSCGKSA-N 1 2 346.456 2.145 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 ZINC001035602352 784762812 /nfs/dbraw/zinc/76/28/12/784762812.db2.gz GYHPSMGMCRDQLM-INIZCTEOSA-N 1 2 327.428 2.401 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 ZINC001035602352 784762818 /nfs/dbraw/zinc/76/28/18/784762818.db2.gz GYHPSMGMCRDQLM-INIZCTEOSA-N 1 2 327.428 2.401 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001035620278 784810773 /nfs/dbraw/zinc/81/07/73/784810773.db2.gz RJFXFXUKBFBDFX-BBRMVZONSA-N 1 2 334.847 2.373 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001035620278 784810780 /nfs/dbraw/zinc/81/07/80/784810780.db2.gz RJFXFXUKBFBDFX-BBRMVZONSA-N 1 2 334.847 2.373 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c(Cl)cccc2OC)C1 ZINC001035613144 784851167 /nfs/dbraw/zinc/85/11/67/784851167.db2.gz DRMNJDSLFSDXSJ-ZDUSSCGKSA-N 1 2 338.835 2.355 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c(Cl)cccc2OC)C1 ZINC001035613144 784851170 /nfs/dbraw/zinc/85/11/70/784851170.db2.gz DRMNJDSLFSDXSJ-ZDUSSCGKSA-N 1 2 338.835 2.355 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCOC1)CC2 ZINC001035681132 784930236 /nfs/dbraw/zinc/93/02/36/784930236.db2.gz RGOBXBPOIUSOPQ-HNNXBMFYSA-N 1 2 326.868 2.480 20 30 EEEDLO C=CC[NH+]1CC2(C1)CCN(C(=O)c1c(C)n[nH]c1C(F)(F)F)CC2 ZINC001035750968 785110151 /nfs/dbraw/zinc/11/01/51/785110151.db2.gz IVVCRMOQZMBHIB-UHFFFAOYSA-N 1 2 342.365 2.461 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ncccc1OC)CC2 ZINC001035843462 785273210 /nfs/dbraw/zinc/27/32/10/785273210.db2.gz SADAMYGTNKUYPT-UHFFFAOYSA-N 1 2 335.835 2.381 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1c(C)nn(C)c1F)CC2 ZINC001035845551 785278026 /nfs/dbraw/zinc/27/80/26/785278026.db2.gz REAPINVACZMQOI-UHFFFAOYSA-N 1 2 340.830 2.158 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000819227078 785479644 /nfs/dbraw/zinc/47/96/44/785479644.db2.gz FAAMXSXXEITGOQ-OWCLPIDISA-N 1 2 331.416 2.069 20 30 EEEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000908669519 785620480 /nfs/dbraw/zinc/62/04/80/785620480.db2.gz RKEOZVUIEQRHIF-CVEARBPZSA-N 1 2 330.432 2.316 20 30 EEEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000908669519 785620491 /nfs/dbraw/zinc/62/04/91/785620491.db2.gz RKEOZVUIEQRHIF-CVEARBPZSA-N 1 2 330.432 2.316 20 30 EEEDLO CCCCc1noc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)n1 ZINC000995790764 785717624 /nfs/dbraw/zinc/71/76/24/785717624.db2.gz DTJCRMFXIHMXAP-OAHLLOKOSA-N 1 2 344.459 2.152 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)c(Cl)c2)[C@@H](O)C1 ZINC001090532088 785834770 /nfs/dbraw/zinc/83/47/70/785834770.db2.gz QZOVHZGPHWBTJV-KBPBESRZSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(F)c(Cl)c2)[C@@H](O)C1 ZINC001090532088 785834781 /nfs/dbraw/zinc/83/47/81/785834781.db2.gz QZOVHZGPHWBTJV-KBPBESRZSA-N 1 2 347.217 2.397 20 30 EEEDLO C#C[C@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Cl)cc1 ZINC000820560418 785973372 /nfs/dbraw/zinc/97/33/72/785973372.db2.gz UWHQYFBVTCUZKT-BBWFWOEESA-N 1 2 347.846 2.177 20 30 EEEDLO C#C[C@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Cl)cc1 ZINC000820560418 785973379 /nfs/dbraw/zinc/97/33/79/785973379.db2.gz UWHQYFBVTCUZKT-BBWFWOEESA-N 1 2 347.846 2.177 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001015955102 786372278 /nfs/dbraw/zinc/37/22/78/786372278.db2.gz ASIDHYGPFFJESL-INIZCTEOSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001015955102 786372282 /nfs/dbraw/zinc/37/22/82/786372282.db2.gz ASIDHYGPFFJESL-INIZCTEOSA-N 1 2 343.814 2.492 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@H](CC)C(C)C)nn2)C1 ZINC001107230547 786528104 /nfs/dbraw/zinc/52/81/04/786528104.db2.gz MXGDWDDTNMQFHC-HNNXBMFYSA-N 1 2 333.480 2.399 20 30 EEEDLO Cc1nc(NC/C=C\CNC(=O)CCCn2cc[nH+]c2)ccc1C#N ZINC001107237739 786588069 /nfs/dbraw/zinc/58/80/69/786588069.db2.gz UKFISQCGKSPTNN-IHWYPQMZSA-N 1 2 338.415 2.023 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000821331469 786687118 /nfs/dbraw/zinc/68/71/18/786687118.db2.gz UKJWAPOIMFRWSG-ZIAGYGMSSA-N 1 2 349.406 2.068 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000821331469 786687123 /nfs/dbraw/zinc/68/71/23/786687123.db2.gz UKJWAPOIMFRWSG-ZIAGYGMSSA-N 1 2 349.406 2.068 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cc(C)ccc2C)[C@H](O)C1 ZINC001090538696 786811508 /nfs/dbraw/zinc/81/15/08/786811508.db2.gz KLEFNJCMGBDQHF-DLBZAZTESA-N 1 2 336.863 2.150 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cc(C)ccc2C)[C@H](O)C1 ZINC001090538696 786811517 /nfs/dbraw/zinc/81/15/17/786811517.db2.gz KLEFNJCMGBDQHF-DLBZAZTESA-N 1 2 336.863 2.150 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1 ZINC001109634760 805783187 /nfs/dbraw/zinc/78/31/87/805783187.db2.gz WOFCKTOBCMPHTJ-RANZSIQMSA-N 1 2 347.503 2.227 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1 ZINC001109634760 805783197 /nfs/dbraw/zinc/78/31/97/805783197.db2.gz WOFCKTOBCMPHTJ-RANZSIQMSA-N 1 2 347.503 2.227 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H](C)SC)CC2(CCOCC2)C1 ZINC001099566303 787473858 /nfs/dbraw/zinc/47/38/58/787473858.db2.gz OCYNJCQUAFVOKC-KBPBESRZSA-N 1 2 346.924 2.478 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)SC)CC2(CCOCC2)C1 ZINC001099566303 787473860 /nfs/dbraw/zinc/47/38/60/787473860.db2.gz OCYNJCQUAFVOKC-KBPBESRZSA-N 1 2 346.924 2.478 20 30 EEEDLO Cc1ccc(C#N)c(NCCCN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001109644164 805818701 /nfs/dbraw/zinc/81/87/01/805818701.db2.gz UPMHLQJXJSJYIJ-ZDUSSCGKSA-N 1 2 340.431 2.124 20 30 EEEDLO Cc1ccc(C#N)c(NCCCN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001109644164 805818710 /nfs/dbraw/zinc/81/87/10/805818710.db2.gz UPMHLQJXJSJYIJ-ZDUSSCGKSA-N 1 2 340.431 2.124 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001062301038 787835161 /nfs/dbraw/zinc/83/51/61/787835161.db2.gz ZOTOHYNBFRQGKK-MRXNPFEDSA-N 1 2 346.475 2.206 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3ccn(C)c3c2)[C@H](O)C1 ZINC001090706110 787888678 /nfs/dbraw/zinc/88/86/78/787888678.db2.gz UBOPNBQLJRKPSX-DOTOQJQBSA-N 1 2 347.846 2.096 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3ccn(C)c3c2)[C@H](O)C1 ZINC001090706110 787888688 /nfs/dbraw/zinc/88/86/88/787888688.db2.gz UBOPNBQLJRKPSX-DOTOQJQBSA-N 1 2 347.846 2.096 20 30 EEEDLO CC(C)(F)C(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107687121 788049722 /nfs/dbraw/zinc/04/97/22/788049722.db2.gz IENCZKMGBNNFTI-SFHVURJKSA-N 1 2 333.407 2.013 20 30 EEEDLO CC(C)(F)C(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107687121 788049732 /nfs/dbraw/zinc/04/97/32/788049732.db2.gz IENCZKMGBNNFTI-SFHVURJKSA-N 1 2 333.407 2.013 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001060775451 788120210 /nfs/dbraw/zinc/12/02/10/788120210.db2.gz JRCDSKGBYXPIHG-WKILWMFISA-N 1 2 346.475 2.110 20 30 EEEDLO O=C(C#Cc1cccs1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000824829234 788330631 /nfs/dbraw/zinc/33/06/31/788330631.db2.gz PZSSJYAGYQKWOT-UHFFFAOYSA-N 1 2 339.464 2.038 20 30 EEEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000824872460 788347420 /nfs/dbraw/zinc/34/74/20/788347420.db2.gz SSPXOAJTSYDJJA-UHFFFAOYSA-N 1 2 330.432 2.205 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)C(C)C)C1 ZINC001109696735 805878769 /nfs/dbraw/zinc/87/87/69/805878769.db2.gz KNYWDFVFSYNLCX-NCOADZHNSA-N 1 2 347.503 2.225 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)C(C)C)C1 ZINC001109696735 805878778 /nfs/dbraw/zinc/87/87/78/805878778.db2.gz KNYWDFVFSYNLCX-NCOADZHNSA-N 1 2 347.503 2.225 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccoc2C(C)C)[C@@H](O)C1 ZINC001090839347 788516806 /nfs/dbraw/zinc/51/68/06/788516806.db2.gz KUCFNWXKOSFPHH-KGLIPLIRSA-N 1 2 326.824 2.321 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2C(C)C)[C@@H](O)C1 ZINC001090839347 788516815 /nfs/dbraw/zinc/51/68/15/788516815.db2.gz KUCFNWXKOSFPHH-KGLIPLIRSA-N 1 2 326.824 2.321 20 30 EEEDLO C=CCC1(C(=O)N[C@H](C)CNc2nc(N(C)C)nc(C)[nH+]2)CCCC1 ZINC001107832677 788642658 /nfs/dbraw/zinc/64/26/58/788642658.db2.gz LZXPUFCRXRIEQG-CYBMUJFWSA-N 1 2 346.479 2.299 20 30 EEEDLO Cc1cc(NC[C@H](NC(=O)CSCC#N)C2CC2)nc(C2CC2)[nH+]1 ZINC001109763382 805945060 /nfs/dbraw/zinc/94/50/60/805945060.db2.gz KFBADRSVLMXLGJ-AWEZNQCLSA-N 1 2 345.472 2.226 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001060265673 789236096 /nfs/dbraw/zinc/23/60/96/789236096.db2.gz VGGJPWLQDKJDGU-ARFHVFGLSA-N 1 2 344.459 2.224 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001060265673 789236107 /nfs/dbraw/zinc/23/61/07/789236107.db2.gz VGGJPWLQDKJDGU-ARFHVFGLSA-N 1 2 344.459 2.224 20 30 EEEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001091018989 789421260 /nfs/dbraw/zinc/42/12/60/789421260.db2.gz UUVDUNCIMGPROX-RHSMWYFYSA-N 1 2 343.475 2.080 20 30 EEEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001091018989 789421263 /nfs/dbraw/zinc/42/12/63/789421263.db2.gz UUVDUNCIMGPROX-RHSMWYFYSA-N 1 2 343.475 2.080 20 30 EEEDLO C=CCCC(=O)N1CCO[C@@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@@H]21 ZINC001091038714 789507182 /nfs/dbraw/zinc/50/71/82/789507182.db2.gz WWJCMKMVOKQXPJ-JKSUJKDBSA-N 1 2 344.459 2.291 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)c2nc(C)c[nH]2)CC1 ZINC001006108578 789637571 /nfs/dbraw/zinc/63/75/71/789637571.db2.gz PDMDNZCGPYDGAW-UHFFFAOYSA-N 1 2 341.253 2.163 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC2C[NH+](CCc3ccc(Cl)cc3)C2)c1 ZINC001030196710 789759355 /nfs/dbraw/zinc/75/93/55/789759355.db2.gz PBXORYTXPMIEQZ-UHFFFAOYSA-N 1 2 328.803 2.196 20 30 EEEDLO C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)C1CCN(CC#N)CC1 ZINC000997375599 789870730 /nfs/dbraw/zinc/87/07/30/789870730.db2.gz MUNAXDBUHMPHOP-OAHLLOKOSA-N 1 2 337.427 2.226 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1O ZINC001091179317 790005717 /nfs/dbraw/zinc/00/57/17/790005717.db2.gz QICOEADVMUGNDO-VCBZYWHSSA-N 1 2 346.475 2.176 20 30 EEEDLO CCn1nnc2c1CC[N@H+]([C@H](C)Cc1cccc(C#N)c1)[C@@H]2COC ZINC001171210200 790048455 /nfs/dbraw/zinc/04/84/55/790048455.db2.gz QJCXULVOTKUHLM-RDTXWAMCSA-N 1 2 339.443 2.346 20 30 EEEDLO CCn1nnc2c1CC[N@@H+]([C@H](C)Cc1cccc(C#N)c1)[C@@H]2COC ZINC001171210200 790048459 /nfs/dbraw/zinc/04/84/59/790048459.db2.gz QJCXULVOTKUHLM-RDTXWAMCSA-N 1 2 339.443 2.346 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001030332296 790064695 /nfs/dbraw/zinc/06/46/95/790064695.db2.gz GDCYJJYQFUVZIU-UXHICEINSA-N 1 2 340.467 2.457 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001063506368 791176683 /nfs/dbraw/zinc/17/66/83/791176683.db2.gz WQQVPCNIECTRRV-GOSISDBHSA-N 1 2 334.423 2.412 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CC[N@@H+](CC=C(Cl)Cl)C[C@H]2O)CCC1 ZINC001099876818 791180169 /nfs/dbraw/zinc/18/01/69/791180169.db2.gz KVDOWQURMAXDIZ-QWHCGFSZSA-N 1 2 345.270 2.050 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CC[N@H+](CC=C(Cl)Cl)C[C@H]2O)CCC1 ZINC001099876818 791180175 /nfs/dbraw/zinc/18/01/75/791180175.db2.gz KVDOWQURMAXDIZ-QWHCGFSZSA-N 1 2 345.270 2.050 20 30 EEEDLO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)c2c[nH]c(C)cc2=O)CC1 ZINC000997820559 791220092 /nfs/dbraw/zinc/22/00/92/791220092.db2.gz OGLSAQNEIRVNAQ-ZDUSSCGKSA-N 1 2 337.851 2.266 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(C)o2)[C@@H]1C ZINC001088908623 791489321 /nfs/dbraw/zinc/48/93/21/791489321.db2.gz IMAPFELABHURDB-CVYDXHPNSA-N 1 2 347.459 2.433 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)o2)[C@@H]1C ZINC001088908623 791489325 /nfs/dbraw/zinc/48/93/25/791489325.db2.gz IMAPFELABHURDB-CVYDXHPNSA-N 1 2 347.459 2.433 20 30 EEEDLO C=C(C)CCC(=O)NC[C@]1(C)C[N@H+](CCc2ccns2)CCO1 ZINC001107976517 791666986 /nfs/dbraw/zinc/66/69/86/791666986.db2.gz OBTDAIYXDVCJPA-QGZVFWFLSA-N 1 2 337.489 2.249 20 30 EEEDLO C=C(C)CCC(=O)NC[C@]1(C)C[N@@H+](CCc2ccns2)CCO1 ZINC001107976517 791666992 /nfs/dbraw/zinc/66/69/92/791666992.db2.gz OBTDAIYXDVCJPA-QGZVFWFLSA-N 1 2 337.489 2.249 20 30 EEEDLO C=CCOCC(=O)N1CC2(C1)CC[N@@H+](Cc1csc(CCC)n1)C2 ZINC001147261401 791776724 /nfs/dbraw/zinc/77/67/24/791776724.db2.gz YUBDSYMUNVXMJM-UHFFFAOYSA-N 1 2 349.500 2.333 20 30 EEEDLO C=CCOCC(=O)N1CC2(C1)CC[N@H+](Cc1csc(CCC)n1)C2 ZINC001147261401 791776728 /nfs/dbraw/zinc/77/67/28/791776728.db2.gz YUBDSYMUNVXMJM-UHFFFAOYSA-N 1 2 349.500 2.333 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn3c2C[C@@H](C)CC3)[C@H]1C ZINC001089010302 791884920 /nfs/dbraw/zinc/88/49/20/791884920.db2.gz UMKHXFUWTNSWQZ-LNSITVRQSA-N 1 2 336.867 2.411 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn3c2C[C@@H](C)CC3)[C@H]1C ZINC001089010302 791884927 /nfs/dbraw/zinc/88/49/27/791884927.db2.gz UMKHXFUWTNSWQZ-LNSITVRQSA-N 1 2 336.867 2.411 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2COc3ccccc3O2)[C@H]1C ZINC001089020043 791898425 /nfs/dbraw/zinc/89/84/25/791898425.db2.gz PLEZXUAIPWOUIE-DVOMOZLQSA-N 1 2 336.819 2.158 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COc3ccccc3O2)[C@H]1C ZINC001089020043 791898431 /nfs/dbraw/zinc/89/84/31/791898431.db2.gz PLEZXUAIPWOUIE-DVOMOZLQSA-N 1 2 336.819 2.158 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nccc(C)n1)C2 ZINC001148138342 792184700 /nfs/dbraw/zinc/18/47/00/792184700.db2.gz SSYZNCWGPBPNMZ-GDBMZVCRSA-N 1 2 328.460 2.278 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nccc(C)n1)C2 ZINC001148138342 792184702 /nfs/dbraw/zinc/18/47/02/792184702.db2.gz SSYZNCWGPBPNMZ-GDBMZVCRSA-N 1 2 328.460 2.278 20 30 EEEDLO COCC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC001089096595 792282121 /nfs/dbraw/zinc/28/21/21/792282121.db2.gz UBRBMLHZBGESKT-KRWDZBQOSA-N 1 2 333.407 2.157 20 30 EEEDLO COCC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001089096595 792282125 /nfs/dbraw/zinc/28/21/25/792282125.db2.gz UBRBMLHZBGESKT-KRWDZBQOSA-N 1 2 333.407 2.157 20 30 EEEDLO C=CC[N@@H+]1CC[C@@]2(NC(=O)c3cccc(-c4nnc[nH]4)c3)CCC[C@@H]12 ZINC000992107211 792735019 /nfs/dbraw/zinc/73/50/19/792735019.db2.gz JUBVMLDBFWMJIV-APWZRJJASA-N 1 2 337.427 2.385 20 30 EEEDLO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(-c4nnc[nH]4)c3)CCC[C@@H]12 ZINC000992107211 792735029 /nfs/dbraw/zinc/73/50/29/792735029.db2.gz JUBVMLDBFWMJIV-APWZRJJASA-N 1 2 337.427 2.385 20 30 EEEDLO Cc1noc([C@H](C)[N@H+](C)C[C@@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC001089175145 793092781 /nfs/dbraw/zinc/09/27/81/793092781.db2.gz QSWPNVCITBBAPG-BBRMVZONSA-N 1 2 330.432 2.165 20 30 EEEDLO Cc1noc([C@H](C)[N@@H+](C)C[C@@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC001089175145 793092788 /nfs/dbraw/zinc/09/27/88/793092788.db2.gz QSWPNVCITBBAPG-BBRMVZONSA-N 1 2 330.432 2.165 20 30 EEEDLO Cc1nc(N2CCC3(CCN(C(=O)[C@H](C)C#N)C3)CC2)c(C)c(C)[nH+]1 ZINC001064578080 793405127 /nfs/dbraw/zinc/40/51/27/793405127.db2.gz FUBKHPZPFAQYIK-CYBMUJFWSA-N 1 2 341.459 2.380 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CCCCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091920149 793408628 /nfs/dbraw/zinc/40/86/28/793408628.db2.gz NKUAFYOIJOKTRB-HOCLYGCPSA-N 1 2 330.432 2.006 20 30 EEEDLO C=C1CCC(C(=O)NC2CN(C(=O)c3cccc4[nH+]ccn43)C2)CC1 ZINC000999108295 793813628 /nfs/dbraw/zinc/81/36/28/793813628.db2.gz OYBLTYSPSVKXNT-UHFFFAOYSA-N 1 2 338.411 2.021 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1[C@@H]3CCCC[C@@H]31)c1nccn12 ZINC001092359554 793832696 /nfs/dbraw/zinc/83/26/96/793832696.db2.gz QOJGQKZBSDRBFZ-QXSJWSMHSA-N 1 2 326.444 2.077 20 30 EEEDLO Cc1nc(N2C[C@@H](CNC(=O)[C@H](C)C#N)[C@H](C)C2)c2c([nH+]1)CCCC2 ZINC001092337070 793858816 /nfs/dbraw/zinc/85/88/16/793858816.db2.gz YODRRJQRXKMUDV-UMVBOHGHSA-N 1 2 341.459 2.012 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c[nH]c3ccccc13)c1nccn12 ZINC001092379045 793873685 /nfs/dbraw/zinc/87/36/85/793873685.db2.gz BPGYYNXZSUPNIT-QGZVFWFLSA-N 1 2 347.422 2.436 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC1(C)C)c1nccn12 ZINC001092387182 793882981 /nfs/dbraw/zinc/88/29/81/793882981.db2.gz SYVKIDNJQXRQDM-HOTGVXAUSA-N 1 2 340.471 2.305 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccsc1C)c1nccn12 ZINC001092399534 793898984 /nfs/dbraw/zinc/89/89/84/793898984.db2.gz CULSHHRUSRTNBN-OAHLLOKOSA-N 1 2 342.468 2.254 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)cc(C)c1)c1nccn12 ZINC001092409082 793957394 /nfs/dbraw/zinc/95/73/94/793957394.db2.gz HPMBHAFFVDLWMM-SFHVURJKSA-N 1 2 348.450 2.409 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1cccc(F)c1)c1nccn12 ZINC001092410435 793959836 /nfs/dbraw/zinc/95/98/36/793959836.db2.gz LNANPJYKSXTYCZ-INIZCTEOSA-N 1 2 340.402 2.023 20 30 EEEDLO C#Cc1cncc(C(=O)NC2C[NH+](CCc3ccccc3CC)C2)c1 ZINC001030928581 793978609 /nfs/dbraw/zinc/97/86/09/793978609.db2.gz ZSDRJQNWIKJXPP-UHFFFAOYSA-N 1 2 333.435 2.282 20 30 EEEDLO C#CCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C/C=C\Cl)cc1 ZINC001032670366 794034290 /nfs/dbraw/zinc/03/42/90/794034290.db2.gz WPHBUPSLKMDPKV-JRYHNUQDSA-N 1 2 330.815 2.350 20 30 EEEDLO C#CCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C/C=C\Cl)cc1 ZINC001032670366 794034295 /nfs/dbraw/zinc/03/42/95/794034295.db2.gz WPHBUPSLKMDPKV-JRYHNUQDSA-N 1 2 330.815 2.350 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2CC)[C@H](O)C1 ZINC001090357794 794182530 /nfs/dbraw/zinc/18/25/30/794182530.db2.gz GMOOMTQXDXEWMW-IAGOWNOFSA-N 1 2 336.863 2.095 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2CC)[C@H](O)C1 ZINC001090357794 794182534 /nfs/dbraw/zinc/18/25/34/794182534.db2.gz GMOOMTQXDXEWMW-IAGOWNOFSA-N 1 2 336.863 2.095 20 30 EEEDLO C=CCCC(=O)NC[C@@]1(C)CN(c2cc(C)[nH+]c(C3CC3)n2)CCO1 ZINC001092733982 794274759 /nfs/dbraw/zinc/27/47/59/794274759.db2.gz PBFXEHHVMJGCCH-IBGZPJMESA-N 1 2 344.459 2.340 20 30 EEEDLO CC(C)C(=O)N1CC[NH+]([C@@H]2CCN(c3cccc(F)c3C#N)C2)CC1 ZINC001065187803 794309481 /nfs/dbraw/zinc/30/94/81/794309481.db2.gz LIBSOBHTUWBRMN-OAHLLOKOSA-N 1 2 344.434 2.076 20 30 EEEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccsc2)C1 ZINC001079122749 794354401 /nfs/dbraw/zinc/35/44/01/794354401.db2.gz RABQTFPJIVDCQY-QZTJIDSGSA-N 1 2 340.448 2.069 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccsc2)C1 ZINC001079122749 794354410 /nfs/dbraw/zinc/35/44/10/794354410.db2.gz RABQTFPJIVDCQY-QZTJIDSGSA-N 1 2 340.448 2.069 20 30 EEEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)CC(C)(C)C#N)c1C ZINC000914014051 794736357 /nfs/dbraw/zinc/73/63/57/794736357.db2.gz LLOYQLIISSVDSS-UHFFFAOYSA-N 1 2 325.434 2.018 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)c1cccn1C ZINC001079431525 794766702 /nfs/dbraw/zinc/76/67/02/794766702.db2.gz SNPRGMLIBYZSTC-CXAGYDPISA-N 1 2 340.402 2.286 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)c1cccn1C ZINC001079431525 794766705 /nfs/dbraw/zinc/76/67/05/794766705.db2.gz SNPRGMLIBYZSTC-CXAGYDPISA-N 1 2 340.402 2.286 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001110005401 806365869 /nfs/dbraw/zinc/36/58/69/806365869.db2.gz RNSODVOXOZHRET-QGZVFWFLSA-N 1 2 341.390 2.360 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001110005401 806365884 /nfs/dbraw/zinc/36/58/84/806365884.db2.gz RNSODVOXOZHRET-QGZVFWFLSA-N 1 2 341.390 2.360 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CC1(F)F ZINC001079667481 795071643 /nfs/dbraw/zinc/07/16/43/795071643.db2.gz YDOMNFDWHLTZJJ-WKPIXPDZSA-N 1 2 337.345 2.289 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CC1(F)F ZINC001079667481 795071653 /nfs/dbraw/zinc/07/16/53/795071653.db2.gz YDOMNFDWHLTZJJ-WKPIXPDZSA-N 1 2 337.345 2.289 20 30 EEEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C3CC3)s1)C2 ZINC001110012617 806384942 /nfs/dbraw/zinc/38/49/42/806384942.db2.gz YXHBECAJYWSMEF-ILXRZTDVSA-N 1 2 345.468 2.005 20 30 EEEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C3CC3)s1)C2 ZINC001110012617 806384949 /nfs/dbraw/zinc/38/49/49/806384949.db2.gz YXHBECAJYWSMEF-ILXRZTDVSA-N 1 2 345.468 2.005 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ncc(CC)o2)C[C@H]1C ZINC001079720003 795133905 /nfs/dbraw/zinc/13/39/05/795133905.db2.gz OPASDRXYLMSWQY-DZUCGIPZSA-N 1 2 347.459 2.155 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ncc(CC)o2)C[C@H]1C ZINC001079720003 795133906 /nfs/dbraw/zinc/13/39/06/795133906.db2.gz OPASDRXYLMSWQY-DZUCGIPZSA-N 1 2 347.459 2.155 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCCCCC)C2)nn1 ZINC001098780799 795211058 /nfs/dbraw/zinc/21/10/58/795211058.db2.gz ZLCMSPOJNNYJIT-KRWDZBQOSA-N 1 2 331.464 2.135 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCCCCC)C2)nn1 ZINC001098780802 795211385 /nfs/dbraw/zinc/21/13/85/795211385.db2.gz ZLCMSPOJNNYJIT-QGZVFWFLSA-N 1 2 331.464 2.135 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nc3c2cccc3OC)C1 ZINC001079782904 795214591 /nfs/dbraw/zinc/21/45/91/795214591.db2.gz PMVSMYYHVLJEHW-ZWNOBZJWSA-N 1 2 348.834 2.374 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]nc3c2cccc3OC)C1 ZINC001079782904 795214594 /nfs/dbraw/zinc/21/45/94/795214594.db2.gz PMVSMYYHVLJEHW-ZWNOBZJWSA-N 1 2 348.834 2.374 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C3CC(F)(F)C3)CC2)C1 ZINC001093524862 795311781 /nfs/dbraw/zinc/31/17/81/795311781.db2.gz OQAJHNXDSHMWSH-UHFFFAOYSA-N 1 2 328.403 2.300 20 30 EEEDLO C[C@H](CCNc1cccc(F)c1C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001106309400 795383783 /nfs/dbraw/zinc/38/37/83/795383783.db2.gz GLFKJRHJJOFNSJ-GFCCVEGCSA-N 1 2 329.379 2.360 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)C1 ZINC001093574022 795384004 /nfs/dbraw/zinc/38/40/04/795384004.db2.gz IHUDIXDJNFQDHZ-UHFFFAOYSA-N 1 2 342.439 2.113 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3CC4(C3)CCOCC4)CC2)C1 ZINC001093590872 795404421 /nfs/dbraw/zinc/40/44/21/795404421.db2.gz URVFZUORRIAZHD-UHFFFAOYSA-N 1 2 348.487 2.071 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3c(C)onc3CC)CC2)C1 ZINC001093595652 795435327 /nfs/dbraw/zinc/43/53/27/795435327.db2.gz NBQRFSXLGYSZJK-UHFFFAOYSA-N 1 2 347.459 2.427 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CCc3cscn3)CC2)C1 ZINC001093599999 795440713 /nfs/dbraw/zinc/44/07/13/795440713.db2.gz KSKYOODHMRMDEK-UHFFFAOYSA-N 1 2 349.500 2.344 20 30 EEEDLO Cc1nsc(NCC[C@@H](C)NC(=O)CCCn2cc[nH+]c2)c1C#N ZINC001106363101 795456769 /nfs/dbraw/zinc/45/67/69/795456769.db2.gz YDHUXQJLHMRGHZ-GFCCVEGCSA-N 1 2 346.460 2.307 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2nc(C(C)(C)C)cs2)C1 ZINC001108006894 795485639 /nfs/dbraw/zinc/48/56/39/795485639.db2.gz GQDWTAOBYPODSB-QGZVFWFLSA-N 1 2 337.489 2.447 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2nc(C(C)(C)C)cs2)C1 ZINC001108006894 795485644 /nfs/dbraw/zinc/48/56/44/795485644.db2.gz GQDWTAOBYPODSB-QGZVFWFLSA-N 1 2 337.489 2.447 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC(N(CC)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001080140213 795616688 /nfs/dbraw/zinc/61/66/88/795616688.db2.gz LVTVSRUCUFYTOD-KBPBESRZSA-N 1 2 346.475 2.205 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001080237116 795743334 /nfs/dbraw/zinc/74/33/34/795743334.db2.gz QMAPJMRPJJHNGZ-IUODEOHRSA-N 1 2 347.850 2.013 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001080237116 795743338 /nfs/dbraw/zinc/74/33/38/795743338.db2.gz QMAPJMRPJJHNGZ-IUODEOHRSA-N 1 2 347.850 2.013 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3snnc3C)C[C@H]2C)cc1 ZINC001080244638 795752412 /nfs/dbraw/zinc/75/24/12/795752412.db2.gz DQOOSHCKIFLZDN-MLGOLLRUSA-N 1 2 340.452 2.078 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3snnc3C)C[C@H]2C)cc1 ZINC001080244638 795752417 /nfs/dbraw/zinc/75/24/17/795752417.db2.gz DQOOSHCKIFLZDN-MLGOLLRUSA-N 1 2 340.452 2.078 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ncccn3)C[C@H]2C)cc1 ZINC001080244961 795753688 /nfs/dbraw/zinc/75/36/88/795753688.db2.gz UBBIIBOUJSIBQR-RVKKMQEKSA-N 1 2 334.423 2.269 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ncccn3)C[C@H]2C)cc1 ZINC001080244961 795753694 /nfs/dbraw/zinc/75/36/94/795753694.db2.gz UBBIIBOUJSIBQR-RVKKMQEKSA-N 1 2 334.423 2.269 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC(N(CC)C(=O)CCc2c[nH+]cn2C)C1 ZINC001080247293 795755713 /nfs/dbraw/zinc/75/57/13/795755713.db2.gz XWXCBGOLAURJMQ-HNNXBMFYSA-N 1 2 346.475 2.014 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001080249067 795780603 /nfs/dbraw/zinc/78/06/03/795780603.db2.gz XURAUFLXKYQAMO-IAQYHMDHSA-N 1 2 345.834 2.274 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001080249067 795780609 /nfs/dbraw/zinc/78/06/09/795780609.db2.gz XURAUFLXKYQAMO-IAQYHMDHSA-N 1 2 345.834 2.274 20 30 EEEDLO C=C1CCC(C(=O)N[C@H](C)CCNc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001106553029 795815973 /nfs/dbraw/zinc/81/59/73/795815973.db2.gz JPQPRBVCARXBFA-CYBMUJFWSA-N 1 2 346.479 2.299 20 30 EEEDLO C[C@@H](CCNc1ccc(C#N)nc1)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001106582555 795883040 /nfs/dbraw/zinc/88/30/40/795883040.db2.gz NCUZBJLAIQYAKP-WFASDCNBSA-N 1 2 338.415 2.103 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001080374688 795954999 /nfs/dbraw/zinc/95/49/99/795954999.db2.gz IXTOLINZTATQCC-PIGZYNQJSA-N 1 2 342.374 2.244 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001080374688 795955006 /nfs/dbraw/zinc/95/50/06/795955006.db2.gz IXTOLINZTATQCC-PIGZYNQJSA-N 1 2 342.374 2.244 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)NCCNc2cccc(F)c2C#N)c[nH+]1 ZINC001094222380 796005548 /nfs/dbraw/zinc/00/55/48/796005548.db2.gz DFIBWVXFKIOUCK-UHFFFAOYSA-N 1 2 329.379 2.166 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ccc4c(c3)C=CCC4)nn2)C1 ZINC001094325703 796132437 /nfs/dbraw/zinc/13/24/37/796132437.db2.gz PVOOFXLMGHJTSX-UHFFFAOYSA-N 1 2 349.438 2.210 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C34CCC(CC3)C4(C)C)nn2)C1 ZINC001094326068 796133787 /nfs/dbraw/zinc/13/37/87/796133787.db2.gz WALFYHIAISWZBV-UHFFFAOYSA-N 1 2 343.475 2.153 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC001080541379 796134225 /nfs/dbraw/zinc/13/42/25/796134225.db2.gz QONHEJFMTHRHBP-HQQWDMGQSA-N 1 2 338.810 2.318 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC001080541379 796134226 /nfs/dbraw/zinc/13/42/26/796134226.db2.gz QONHEJFMTHRHBP-HQQWDMGQSA-N 1 2 338.810 2.318 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3nsnc32)C1 ZINC001080698750 796331765 /nfs/dbraw/zinc/33/17/65/796331765.db2.gz GZFBOGGHQGPKIP-NOZJJQNGSA-N 1 2 336.848 2.494 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3nsnc32)C1 ZINC001080698750 796331772 /nfs/dbraw/zinc/33/17/72/796331772.db2.gz GZFBOGGHQGPKIP-NOZJJQNGSA-N 1 2 336.848 2.494 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc3n[nH]nc32)[C@@H]1C ZINC000993373137 796488009 /nfs/dbraw/zinc/48/80/09/796488009.db2.gz FJZBRQAHVQPPAY-WCQYABFASA-N 1 2 333.823 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc3n[nH]nc32)[C@@H]1C ZINC000993373137 796488012 /nfs/dbraw/zinc/48/80/12/796488012.db2.gz FJZBRQAHVQPPAY-WCQYABFASA-N 1 2 333.823 2.293 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001078530252 796580728 /nfs/dbraw/zinc/58/07/28/796580728.db2.gz IYIQEBBQJWPZRS-RRFJBIMHSA-N 1 2 346.475 2.137 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2nc3cccnc3s2)[C@H]1C ZINC000993419017 796605127 /nfs/dbraw/zinc/60/51/27/796605127.db2.gz GTAYVUYIESFYSC-OLZOCXBDSA-N 1 2 328.441 2.297 20 30 EEEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2nc3cccnc3s2)[C@H]1C ZINC000993419017 796605130 /nfs/dbraw/zinc/60/51/30/796605130.db2.gz GTAYVUYIESFYSC-OLZOCXBDSA-N 1 2 328.441 2.297 20 30 EEEDLO C=C(C)CCC(=O)N(CC)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001081096048 796628939 /nfs/dbraw/zinc/62/89/39/796628939.db2.gz HSLNNQNWXIFKTC-UHFFFAOYSA-N 1 2 346.475 2.327 20 30 EEEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1 ZINC001081296218 796720801 /nfs/dbraw/zinc/72/08/01/796720801.db2.gz FHVRPMXDUGHLAM-WOJBJXKFSA-N 1 2 334.419 2.167 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1 ZINC001081296218 796720804 /nfs/dbraw/zinc/72/08/04/796720804.db2.gz FHVRPMXDUGHLAM-WOJBJXKFSA-N 1 2 334.419 2.167 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cncn2C)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993563357 796823903 /nfs/dbraw/zinc/82/39/03/796823903.db2.gz DDAHSAJSISBRHF-WMLDXEAASA-N 1 2 337.427 2.075 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cncn2C)CCC[N@H+]1Cc1ccccc1C#N ZINC000993563357 796823908 /nfs/dbraw/zinc/82/39/08/796823908.db2.gz DDAHSAJSISBRHF-WMLDXEAASA-N 1 2 337.427 2.075 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cc(CC)nn2C)[C@@H]1C ZINC000993623184 796878390 /nfs/dbraw/zinc/87/83/90/796878390.db2.gz NYAJQRHVWQIDJF-XJKSGUPXSA-N 1 2 338.883 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cc(CC)nn2C)[C@@H]1C ZINC000993623184 796878392 /nfs/dbraw/zinc/87/83/92/796878392.db2.gz NYAJQRHVWQIDJF-XJKSGUPXSA-N 1 2 338.883 2.247 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2csnn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993630611 796885556 /nfs/dbraw/zinc/88/55/56/796885556.db2.gz HYBHGPHEJMCQNU-SWLSCSKDSA-N 1 2 341.440 2.193 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2csnn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993630611 796885559 /nfs/dbraw/zinc/88/55/59/796885559.db2.gz HYBHGPHEJMCQNU-SWLSCSKDSA-N 1 2 341.440 2.193 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2n[nH]cc2F)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993740513 796965979 /nfs/dbraw/zinc/96/59/79/796965979.db2.gz IWVSLICVDWADTP-LRDDRELGSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2n[nH]cc2F)CCC[N@H+]1Cc1ccccc1C#N ZINC000993740513 796965981 /nfs/dbraw/zinc/96/59/81/796965981.db2.gz IWVSLICVDWADTP-LRDDRELGSA-N 1 2 341.390 2.203 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ncccc2F)[C@@H]1C ZINC000993734951 796995286 /nfs/dbraw/zinc/99/52/86/796995286.db2.gz VPHWKODTOFRVKG-GXTWGEPZSA-N 1 2 325.815 2.485 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ncccc2F)[C@@H]1C ZINC000993734951 796995288 /nfs/dbraw/zinc/99/52/88/796995288.db2.gz VPHWKODTOFRVKG-GXTWGEPZSA-N 1 2 325.815 2.485 20 30 EEEDLO CCOC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)[C@@H](C)CCCC#N ZINC001172501163 797011617 /nfs/dbraw/zinc/01/16/17/797011617.db2.gz PNOKCUYUUUUAMC-AWEZNQCLSA-N 1 2 341.452 2.459 20 30 EEEDLO CCOC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H](C)CCCC#N ZINC001172501163 797011624 /nfs/dbraw/zinc/01/16/24/797011624.db2.gz PNOKCUYUUUUAMC-AWEZNQCLSA-N 1 2 341.452 2.459 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2nnn(CC)c2CC)[C@H]1C ZINC000993803370 797030778 /nfs/dbraw/zinc/03/07/78/797030778.db2.gz IYUKWQYDQQIBSJ-CHWSQXEVSA-N 1 2 339.871 2.196 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2nnn(CC)c2CC)[C@H]1C ZINC000993803370 797030786 /nfs/dbraw/zinc/03/07/86/797030786.db2.gz IYUKWQYDQQIBSJ-CHWSQXEVSA-N 1 2 339.871 2.196 20 30 EEEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC1(C)C ZINC001082043669 797116257 /nfs/dbraw/zinc/11/62/57/797116257.db2.gz LGGPKRLPCKBRKK-GUDVDZBRSA-N 1 2 340.467 2.290 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC1(C)C ZINC001082043669 797116261 /nfs/dbraw/zinc/11/62/61/797116261.db2.gz LGGPKRLPCKBRKK-GUDVDZBRSA-N 1 2 340.467 2.290 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cccnn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000994057582 797266555 /nfs/dbraw/zinc/26/65/55/797266555.db2.gz JBMGFUPKLUBLFO-YOEHRIQHSA-N 1 2 335.411 2.131 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cccnn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000994057582 797266557 /nfs/dbraw/zinc/26/65/57/797266557.db2.gz JBMGFUPKLUBLFO-YOEHRIQHSA-N 1 2 335.411 2.131 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001095121991 797392353 /nfs/dbraw/zinc/39/23/53/797392353.db2.gz AIKJWWUGEAUMRF-GDBMZVCRSA-N 1 2 332.448 2.030 20 30 EEEDLO Cc1ccc(S(=O)(=O)NN=C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000915936110 797458698 /nfs/dbraw/zinc/45/86/98/797458698.db2.gz AZNKFDLCZHTAQC-UHFFFAOYSA-N 1 2 344.440 2.325 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](Cc2ccccc2N(C)C)C1 ZINC001031312644 797530144 /nfs/dbraw/zinc/53/01/44/797530144.db2.gz OGLVITKIRIHQHX-UHFFFAOYSA-N 1 2 347.462 2.277 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(=O)ccoc3c2)[C@@H]1C ZINC000994265375 797676986 /nfs/dbraw/zinc/67/69/86/797676986.db2.gz GZWIFLLBHFWMEH-WMLDXEAASA-N 1 2 338.407 2.399 20 30 EEEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(=O)ccoc3c2)[C@@H]1C ZINC000994265375 797676988 /nfs/dbraw/zinc/67/69/88/797676988.db2.gz GZWIFLLBHFWMEH-WMLDXEAASA-N 1 2 338.407 2.399 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C2(C(F)(F)F)CC2)C1 ZINC001150357041 797726017 /nfs/dbraw/zinc/72/60/17/797726017.db2.gz JYVLAXHHCNVWMM-NSHDSACASA-N 1 2 340.773 2.289 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C2(C(F)(F)F)CC2)C1 ZINC001150357041 797726019 /nfs/dbraw/zinc/72/60/19/797726019.db2.gz JYVLAXHHCNVWMM-NSHDSACASA-N 1 2 340.773 2.289 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2c(C)nn(C)c2F)[C@H]1C ZINC000994344749 797827553 /nfs/dbraw/zinc/82/75/53/797827553.db2.gz HMYDXSXOGKAWLX-NEPJUHHUSA-N 1 2 328.819 2.203 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2c(C)nn(C)c2F)[C@H]1C ZINC000994344749 797827560 /nfs/dbraw/zinc/82/75/60/797827560.db2.gz HMYDXSXOGKAWLX-NEPJUHHUSA-N 1 2 328.819 2.203 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)n([C@H](C)CC)n2)C1 ZINC001108042344 797832924 /nfs/dbraw/zinc/83/29/24/797832924.db2.gz MSRWYSINDUBCML-KDOFPFPSSA-N 1 2 334.464 2.169 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)n([C@H](C)CC)n2)C1 ZINC001108042344 797832931 /nfs/dbraw/zinc/83/29/31/797832931.db2.gz MSRWYSINDUBCML-KDOFPFPSSA-N 1 2 334.464 2.169 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(Cl)c3C)[C@H]2C1 ZINC001083090443 797865082 /nfs/dbraw/zinc/86/50/82/797865082.db2.gz ZPOQIXBCUKKGGN-DLBZAZTESA-N 1 2 332.831 2.197 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(Cl)c3C)[C@H]2C1 ZINC001083090443 797865092 /nfs/dbraw/zinc/86/50/92/797865092.db2.gz ZPOQIXBCUKKGGN-DLBZAZTESA-N 1 2 332.831 2.197 20 30 EEEDLO O=C(c1cccnc1)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084154495 798005382 /nfs/dbraw/zinc/00/53/82/798005382.db2.gz QVZOKHZKUXGKEV-UYAOXDASSA-N 1 2 349.409 2.419 20 30 EEEDLO O=C(c1cccnc1)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084154495 798005389 /nfs/dbraw/zinc/00/53/89/798005389.db2.gz QVZOKHZKUXGKEV-UYAOXDASSA-N 1 2 349.409 2.419 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc[nH]4)[C@@H]3C2)c(F)c1 ZINC001084184257 798035738 /nfs/dbraw/zinc/03/57/38/798035738.db2.gz AIDBMDRVZVAZHQ-CRAIPNDOSA-N 1 2 338.386 2.372 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccc[nH]4)[C@@H]3C2)c(F)c1 ZINC001084184257 798035746 /nfs/dbraw/zinc/03/57/46/798035746.db2.gz AIDBMDRVZVAZHQ-CRAIPNDOSA-N 1 2 338.386 2.372 20 30 EEEDLO CO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084218463 798079155 /nfs/dbraw/zinc/07/91/55/798079155.db2.gz UNQBJMYIFTTWRU-QGPMSJSTSA-N 1 2 346.858 2.259 20 30 EEEDLO CO[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC001084218463 798079161 /nfs/dbraw/zinc/07/91/61/798079161.db2.gz UNQBJMYIFTTWRU-QGPMSJSTSA-N 1 2 346.858 2.259 20 30 EEEDLO CCn1cc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)cn1 ZINC001084238892 798101951 /nfs/dbraw/zinc/10/19/51/798101951.db2.gz SEAWRNYRCWIEJC-UYAOXDASSA-N 1 2 348.450 2.101 20 30 EEEDLO CCn1cc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)cn1 ZINC001084238892 798101953 /nfs/dbraw/zinc/10/19/53/798101953.db2.gz SEAWRNYRCWIEJC-UYAOXDASSA-N 1 2 348.450 2.101 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)CC2CCOCC2)CC1 ZINC001002492011 798170624 /nfs/dbraw/zinc/17/06/24/798170624.db2.gz HUHNPTXQXKEAMI-UHFFFAOYSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(-c4ccn(C)c4)[nH]n3)[C@@H]2C1 ZINC001084395909 798194675 /nfs/dbraw/zinc/19/46/75/798194675.db2.gz KVTLBZTUVBGLQI-CRAIPNDOSA-N 1 2 339.443 2.138 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(-c4ccn(C)c4)[nH]n3)[C@@H]2C1 ZINC001084395909 798194679 /nfs/dbraw/zinc/19/46/79/798194679.db2.gz KVTLBZTUVBGLQI-CRAIPNDOSA-N 1 2 339.443 2.138 20 30 EEEDLO Cc1nnccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084488630 798234620 /nfs/dbraw/zinc/23/46/20/798234620.db2.gz DUJXRCKDOGLWKV-IEBWSBKVSA-N 1 2 347.422 2.003 20 30 EEEDLO Cc1nnccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084488630 798234625 /nfs/dbraw/zinc/23/46/25/798234625.db2.gz DUJXRCKDOGLWKV-IEBWSBKVSA-N 1 2 347.422 2.003 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)c3cnn(C)c3)[C@@H]2C1 ZINC001084542979 798264561 /nfs/dbraw/zinc/26/45/61/798264561.db2.gz KROQAFAIRQSKAB-JGGQBBKZSA-N 1 2 336.867 2.199 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)c3cnn(C)c3)[C@@H]2C1 ZINC001084542979 798264565 /nfs/dbraw/zinc/26/45/65/798264565.db2.gz KROQAFAIRQSKAB-JGGQBBKZSA-N 1 2 336.867 2.199 20 30 EEEDLO N#Cc1cc(C(=O)NC2CC[NH+](Cc3cnc(Cl)s3)CC2)c[nH]1 ZINC001002639566 798369371 /nfs/dbraw/zinc/36/93/71/798369371.db2.gz SZDUCYUKJRXGSM-UHFFFAOYSA-N 1 2 349.847 2.391 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(-c3ccccc3)no2)C1 ZINC001108048477 798372269 /nfs/dbraw/zinc/37/22/69/798372269.db2.gz VQFUFYZFCTYYJO-LJQANCHMSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(-c3ccccc3)no2)C1 ZINC001108048477 798372276 /nfs/dbraw/zinc/37/22/76/798372276.db2.gz VQFUFYZFCTYYJO-LJQANCHMSA-N 1 2 341.411 2.348 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3n[nH]c(C(F)(F)F)c3C)[C@@H]2C1 ZINC001084701862 798391090 /nfs/dbraw/zinc/39/10/90/798391090.db2.gz VMWVFLCKYNLKIY-VXGBXAGGSA-N 1 2 342.365 2.459 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3n[nH]c(C(F)(F)F)c3C)[C@@H]2C1 ZINC001084701862 798391098 /nfs/dbraw/zinc/39/10/98/798391098.db2.gz VMWVFLCKYNLKIY-VXGBXAGGSA-N 1 2 342.365 2.459 20 30 EEEDLO C=CCCC(=O)NCc1cnn2c1C[N@H+](CC1CC(F)(F)C1)CC2 ZINC001128259350 798572882 /nfs/dbraw/zinc/57/28/82/798572882.db2.gz AAYCUQZBMGFTPT-UHFFFAOYSA-N 1 2 338.402 2.326 20 30 EEEDLO C=CCCC(=O)NCc1cnn2c1C[N@@H+](CC1CC(F)(F)C1)CC2 ZINC001128259350 798572886 /nfs/dbraw/zinc/57/28/86/798572886.db2.gz AAYCUQZBMGFTPT-UHFFFAOYSA-N 1 2 338.402 2.326 20 30 EEEDLO O=C(CC#Cc1ccccc1)NCCC[NH2+]CC(F)(F)C(F)F ZINC001176768413 798575714 /nfs/dbraw/zinc/57/57/14/798575714.db2.gz VYLNSEDHEHPYGB-UHFFFAOYSA-N 1 2 330.325 2.425 20 30 EEEDLO C=CCCC(=O)NCc1cnn2c1C[N@H+](CCC[C@H]1CCOC1)CC2 ZINC001128259830 798576141 /nfs/dbraw/zinc/57/61/41/798576141.db2.gz VIRVGUKGJFPLCW-INIZCTEOSA-N 1 2 346.475 2.098 20 30 EEEDLO C=CCCC(=O)NCc1cnn2c1C[N@@H+](CCC[C@H]1CCOC1)CC2 ZINC001128259830 798576143 /nfs/dbraw/zinc/57/61/43/798576143.db2.gz VIRVGUKGJFPLCW-INIZCTEOSA-N 1 2 346.475 2.098 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C)oc3C)C[C@H]21 ZINC001176899908 798640872 /nfs/dbraw/zinc/64/08/72/798640872.db2.gz DNWSZKJEDYNPAK-MSOLQXFVSA-N 1 2 348.443 2.014 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C)oc3C)C[C@H]21 ZINC001176899908 798640875 /nfs/dbraw/zinc/64/08/75/798640875.db2.gz DNWSZKJEDYNPAK-MSOLQXFVSA-N 1 2 348.443 2.014 20 30 EEEDLO CCCCCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccn[nH]3)C[C@H]21 ZINC001176969917 798664764 /nfs/dbraw/zinc/66/47/64/798664764.db2.gz PUELNROORCOIFI-QZTJIDSGSA-N 1 2 348.491 2.224 20 30 EEEDLO CCCCCCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccn[nH]3)C[C@H]21 ZINC001176969917 798664766 /nfs/dbraw/zinc/66/47/66/798664766.db2.gz PUELNROORCOIFI-QZTJIDSGSA-N 1 2 348.491 2.224 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)COCC3CCCC3)C[C@H]21 ZINC001177034946 798680941 /nfs/dbraw/zinc/68/09/41/798680941.db2.gz GQSMLAGBEYJSJE-MSOLQXFVSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)COCC3CCCC3)C[C@H]21 ZINC001177034946 798680943 /nfs/dbraw/zinc/68/09/43/798680943.db2.gz GQSMLAGBEYJSJE-MSOLQXFVSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@@H+](CCOCC(C)C)[C@H]2C1 ZINC001177025890 798702451 /nfs/dbraw/zinc/70/24/51/798702451.db2.gz UTNILAGBDBCCKW-ZWKOTPCHSA-N 1 2 338.492 2.317 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@H+](CCOCC(C)C)[C@H]2C1 ZINC001177025890 798702454 /nfs/dbraw/zinc/70/24/54/798702454.db2.gz UTNILAGBDBCCKW-ZWKOTPCHSA-N 1 2 338.492 2.317 20 30 EEEDLO CCCCCCCCCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001177137752 798766682 /nfs/dbraw/zinc/76/66/82/798766682.db2.gz GDDRQGMKYOIPEJ-ROUUACIJSA-N 1 2 340.508 2.421 20 30 EEEDLO CCCCCCCCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001177137752 798766688 /nfs/dbraw/zinc/76/66/88/798766688.db2.gz GDDRQGMKYOIPEJ-ROUUACIJSA-N 1 2 340.508 2.421 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CC#Cc3ccccc3)C[C@@H]21 ZINC001177150141 798774992 /nfs/dbraw/zinc/77/49/92/798774992.db2.gz IJYJWPFXFKMWEA-VQTJNVASSA-N 1 2 338.451 2.306 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CC#Cc3ccccc3)C[C@@H]21 ZINC001177150141 798774993 /nfs/dbraw/zinc/77/49/93/798774993.db2.gz IJYJWPFXFKMWEA-VQTJNVASSA-N 1 2 338.451 2.306 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(CC)CC)C[C@H]21 ZINC001177151278 798776488 /nfs/dbraw/zinc/77/64/88/798776488.db2.gz UMXVBTPGAXHPSD-SJORKVTESA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(CC)CC)C[C@H]21 ZINC001177151278 798776493 /nfs/dbraw/zinc/77/64/93/798776493.db2.gz UMXVBTPGAXHPSD-SJORKVTESA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCCC(=O)N(Cc1ccccc1)CC1(O)C[NH+]([C@H](C)COC)C1 ZINC001177520384 799001731 /nfs/dbraw/zinc/00/17/31/799001731.db2.gz LTHRBFCXTRDHLB-QGZVFWFLSA-N 1 2 346.471 2.063 20 30 EEEDLO CC#CCCCC(=O)N(Cc1ccccc1)CC1(O)C[NH+](CC)C1 ZINC001177541517 799021331 /nfs/dbraw/zinc/02/13/31/799021331.db2.gz UHQBCNDGRSDRLY-UHFFFAOYSA-N 1 2 328.456 2.275 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2ccsn2)CC1 ZINC001003117471 799249532 /nfs/dbraw/zinc/24/95/32/799249532.db2.gz SXOGWPBDWDHVOW-UHFFFAOYSA-N 1 2 330.251 2.246 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC001065680689 799334401 /nfs/dbraw/zinc/33/44/01/799334401.db2.gz MFCBLFMSEWXUJL-SFHVURJKSA-N 1 2 347.503 2.278 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@H]3CC3(C)C)CC2)C1 ZINC001065704983 799352926 /nfs/dbraw/zinc/35/29/26/799352926.db2.gz UCXGYGOJDJLUQX-DLBZAZTESA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)CCCCC1 ZINC001065705373 799353230 /nfs/dbraw/zinc/35/32/30/799353230.db2.gz YFBALDOAAYONPP-GOSISDBHSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)/C(C)=C/CC)C2)CC1 ZINC001065691512 799365794 /nfs/dbraw/zinc/36/57/94/799365794.db2.gz KWOGCXBPQREZCG-BNSMALCHSA-N 1 2 333.476 2.054 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)/C(C)=C/CC)C2)CC1 ZINC001065693137 799370070 /nfs/dbraw/zinc/37/00/70/799370070.db2.gz YAOPZIBSHNIESF-BDBSJLECSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C/C=C(/C)C=C)CC2)C1 ZINC001065693563 799370829 /nfs/dbraw/zinc/37/08/29/799370829.db2.gz DNPKIPCMIPOVDK-QGEBHBTGSA-N 1 2 345.487 2.220 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CCC3CC3)C2)CC1 ZINC001065693383 799371303 /nfs/dbraw/zinc/37/13/03/799371303.db2.gz CDIIWFGULSJWMA-GOSISDBHSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H](C)CC)C2)CC1 ZINC001065699456 799386097 /nfs/dbraw/zinc/38/60/97/799386097.db2.gz KKIKQSBBXUXLRR-DLBZAZTESA-N 1 2 349.519 2.380 20 30 EEEDLO C=C(C)CCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)C(C)C)C2)CC1 ZINC001065716336 799421546 /nfs/dbraw/zinc/42/15/46/799421546.db2.gz SEJMDNPCRDTJGC-MSOLQXFVSA-N 1 2 349.519 2.380 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(COC)no2)[C@@H]1C ZINC001178805357 799629710 /nfs/dbraw/zinc/62/97/10/799629710.db2.gz CTYSMRPYWFJLBV-RDBSUJKOSA-N 1 2 336.436 2.212 20 30 EEEDLO C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001179589780 799996216 /nfs/dbraw/zinc/99/62/16/799996216.db2.gz IWLQKPSTVIBTTC-HNNXBMFYSA-N 1 2 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CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)c2c(C)noc2C)C1 ZINC001108280029 803066282 /nfs/dbraw/zinc/06/62/82/803066282.db2.gz MIFNROPGHULREM-APWZRJJASA-N 1 2 347.459 2.015 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2csc(C(F)(F)F)n2)C1 ZINC001108324743 803291584 /nfs/dbraw/zinc/29/15/84/803291584.db2.gz DFJPMSZSSRLTSS-CYBMUJFWSA-N 1 2 349.378 2.169 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2csc(C(F)(F)F)n2)C1 ZINC001108324743 803291589 /nfs/dbraw/zinc/29/15/89/803291589.db2.gz DFJPMSZSSRLTSS-CYBMUJFWSA-N 1 2 349.378 2.169 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)Cc2ccccc2)C1 ZINC001108328801 803299988 /nfs/dbraw/zinc/29/99/88/803299988.db2.gz KLJOCMPQSSGYQQ-OAQYLSRUSA-N 1 2 342.483 2.486 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)Cc2ccccc2)C1 ZINC001108328801 803299993 /nfs/dbraw/zinc/29/99/93/803299993.db2.gz KLJOCMPQSSGYQQ-OAQYLSRUSA-N 1 2 342.483 2.486 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001108352001 803353624 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EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)COc2ccccc2)C1 ZINC001108400148 803468358 /nfs/dbraw/zinc/46/83/58/803468358.db2.gz FAHPIBKXRVQODC-QFBILLFUSA-N 1 2 332.444 2.095 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)COc2ccccc2)C1 ZINC001108400148 803468362 /nfs/dbraw/zinc/46/83/62/803468362.db2.gz FAHPIBKXRVQODC-QFBILLFUSA-N 1 2 332.444 2.095 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CC(c3ccccc3)C2)C1 ZINC001108437234 803589762 /nfs/dbraw/zinc/58/97/62/803589762.db2.gz KQIMOUQAPRHUIL-GZNCHQMQSA-N 1 2 340.467 2.411 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2CC(c3ccccc3)C2)C1 ZINC001108437234 803589766 /nfs/dbraw/zinc/58/97/66/803589766.db2.gz KQIMOUQAPRHUIL-GZNCHQMQSA-N 1 2 340.467 2.411 20 30 EEEDLO C#CC[C@H]([NH2+]C1CCC(OC(=O)c2ccccc2)CC1)C(=O)OC ZINC001169282099 803679042 /nfs/dbraw/zinc/67/90/42/803679042.db2.gz SRRFJVCOGTYJRL-JCYILVPMSA-N 1 2 329.396 2.309 20 30 EEEDLO Cc1nc(N(C)C[C@H](C)NC(=O)C#CC(C)C)c2c([nH+]1)CCCC2 ZINC001108937497 804690312 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C=CCOc1ccccc1C(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001113024086 807881517 /nfs/dbraw/zinc/88/15/17/807881517.db2.gz FERNNBIVLQYWCI-UHFFFAOYSA-N 1 2 344.455 2.436 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+](C[C@@H](O)COc2cccc(C)c2)CC1 ZINC001113283338 808618659 /nfs/dbraw/zinc/61/86/59/808618659.db2.gz GVNUBCKFRHSWNE-GOSISDBHSA-N 1 2 346.471 2.235 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(C#N)cn2)c[nH+]1 ZINC001113362060 808808035 /nfs/dbraw/zinc/80/80/35/808808035.db2.gz OLVNKJGMNFBVHH-KGLIPLIRSA-N 1 2 340.431 2.199 20 30 EEEDLO C=C(C)CCC(=O)N(C)CC(C)(C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001113440269 808977323 /nfs/dbraw/zinc/97/73/23/808977323.db2.gz RILGQKCLTROEOU-UHFFFAOYSA-N 1 2 348.495 2.499 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnc3ccc(F)cc3c2)CC1 ZINC001113492270 809091339 /nfs/dbraw/zinc/09/13/39/809091339.db2.gz PJQNZSNSKGLHGY-UHFFFAOYSA-N 1 2 343.402 2.334 20 30 EEEDLO C=CCCOCC(=O)N1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC001113710002 809613961 /nfs/dbraw/zinc/61/39/61/809613961.db2.gz BDGCXAVEOHGTRE-UHFFFAOYSA-N 1 2 346.471 2.419 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3ccsc3[nH]2)[C@@H](O)C1 ZINC001090474424 810246465 /nfs/dbraw/zinc/24/64/65/810246465.db2.gz CRXAVSGBIPBKTQ-YPMHNXCESA-N 1 2 339.848 2.147 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3ccsc3[nH]2)[C@@H](O)C1 ZINC001090474424 810246472 /nfs/dbraw/zinc/24/64/72/810246472.db2.gz CRXAVSGBIPBKTQ-YPMHNXCESA-N 1 2 339.848 2.147 20 30 EEEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@](C)(F)CCCC)CC1 ZINC001131367276 812724777 /nfs/dbraw/zinc/72/47/77/812724777.db2.gz PINXNFBYNCEQGA-SFHVURJKSA-N 1 2 341.471 2.131 20 30 EEEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@](C)(F)CCCC)CC1 ZINC001131367276 812724781 /nfs/dbraw/zinc/72/47/81/812724781.db2.gz PINXNFBYNCEQGA-SFHVURJKSA-N 1 2 341.471 2.131 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@@H](C)O[C@]2(CC[N@H+](Cc3ccon3)C2)C1 ZINC001131660621 813087097 /nfs/dbraw/zinc/08/70/97/813087097.db2.gz BEMYUCZHRBJMIU-QAPCUYQASA-N 1 2 333.432 2.223 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@@H](C)O[C@]2(CC[N@@H+](Cc3ccon3)C2)C1 ZINC001131660621 813087106 /nfs/dbraw/zinc/08/71/06/813087106.db2.gz BEMYUCZHRBJMIU-QAPCUYQASA-N 1 2 333.432 2.223 20 30 EEEDLO C[N@H+](CCNC(=O)[C@]1(C)CCCOC1)Cc1cc(C#N)ccc1F ZINC001437542465 1089994116 /nfs/dbraw/zinc/99/41/16/1089994116.db2.gz UHVNXAFWEQWEFK-GOSISDBHSA-N 1 2 333.407 2.062 20 30 EEEDLO C[N@@H+](CCNC(=O)[C@]1(C)CCCOC1)Cc1cc(C#N)ccc1F ZINC001437542465 1089994136 /nfs/dbraw/zinc/99/41/36/1089994136.db2.gz UHVNXAFWEQWEFK-GOSISDBHSA-N 1 2 333.407 2.062 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc(Cn2cccn2)o1 ZINC001437594536 1090096270 /nfs/dbraw/zinc/09/62/70/1090096270.db2.gz RYVQOPFYGTVHEC-UHFFFAOYSA-N 1 2 336.823 2.329 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc(Cn2cccn2)o1 ZINC001437594536 1090096280 /nfs/dbraw/zinc/09/62/80/1090096280.db2.gz RYVQOPFYGTVHEC-UHFFFAOYSA-N 1 2 336.823 2.329 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001437895567 1090474475 /nfs/dbraw/zinc/47/44/75/1090474475.db2.gz WZCMZKNCFNVOCD-GFCCVEGCSA-N 1 2 326.828 2.103 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001437895567 1090474476 /nfs/dbraw/zinc/47/44/76/1090474476.db2.gz WZCMZKNCFNVOCD-GFCCVEGCSA-N 1 2 326.828 2.103 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cn(CC(F)F)nc1C ZINC001442683789 1097049945 /nfs/dbraw/zinc/04/99/45/1097049945.db2.gz ZCLRJXSVTUOUBC-UHFFFAOYSA-N 1 2 334.798 2.261 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cn(CC(F)F)nc1C ZINC001442683789 1097049949 /nfs/dbraw/zinc/04/99/49/1097049949.db2.gz ZCLRJXSVTUOUBC-UHFFFAOYSA-N 1 2 334.798 2.261 20 30 EEEDLO CC[C@H](C)C(=O)N(C)CC[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC001443278268 1097764407 /nfs/dbraw/zinc/76/44/07/1097764407.db2.gz MRVMAQHEJNHEKA-KRWDZBQOSA-N 1 2 342.487 2.180 20 30 EEEDLO COCC1(CC(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001443584365 1098078254 /nfs/dbraw/zinc/07/82/54/1098078254.db2.gz UTIMIVSLEQMADO-UHFFFAOYSA-N 1 2 345.418 2.062 20 30 EEEDLO CO[C@@H](C)CCC(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001443589861 1098080958 /nfs/dbraw/zinc/08/09/58/1098080958.db2.gz ZXHDPSREYJGXDE-ZDUSSCGKSA-N 1 2 333.407 2.060 20 30 EEEDLO Cc1cc(C(=O)N(C)CC[N@H+](C)Cc2ccc(C#N)cc2F)no1 ZINC001496653581 1101257281 /nfs/dbraw/zinc/25/72/81/1101257281.db2.gz XJIMKAWFQAIUMK-UHFFFAOYSA-N 1 2 330.363 2.198 20 30 EEEDLO Cc1cc(C(=O)N(C)CC[N@@H+](C)Cc2ccc(C#N)cc2F)no1 ZINC001496653581 1101257285 /nfs/dbraw/zinc/25/72/85/1101257285.db2.gz XJIMKAWFQAIUMK-UHFFFAOYSA-N 1 2 330.363 2.198 20 30 EEEDLO Cc1ncc(C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)s1 ZINC001480846455 1107255290 /nfs/dbraw/zinc/25/52/90/1107255290.db2.gz LIOCQVVHSOSKMD-UHFFFAOYSA-N 1 2 332.404 2.324 20 30 EEEDLO Cc1ncc(C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)s1 ZINC001480846455 1107255297 /nfs/dbraw/zinc/25/52/97/1107255297.db2.gz LIOCQVVHSOSKMD-UHFFFAOYSA-N 1 2 332.404 2.324 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CCOC(C)C)cc1C#N ZINC001498927142 1108331645 /nfs/dbraw/zinc/33/16/45/1108331645.db2.gz OGCFFXAWBINUKN-QGZVFWFLSA-N 1 2 345.443 2.072 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CCOC(C)C)cc1C#N ZINC001498927142 1108331661 /nfs/dbraw/zinc/33/16/61/1108331661.db2.gz OGCFFXAWBINUKN-QGZVFWFLSA-N 1 2 345.443 2.072 20 30 EEEDLO COCC1(CC(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001498977796 1108405261 /nfs/dbraw/zinc/40/52/61/1108405261.db2.gz RLTCLINGFXORJH-CYBMUJFWSA-N 1 2 333.457 2.127 20 30 EEEDLO COCC1(CC(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001498977796 1108405264 /nfs/dbraw/zinc/40/52/64/1108405264.db2.gz RLTCLINGFXORJH-CYBMUJFWSA-N 1 2 333.457 2.127 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@H](CNC(=O)[C@@H](C)C#N)C(C)(C)C)c(C)[nH+]1 ZINC001511805571 1118268205 /nfs/dbraw/zinc/26/82/05/1118268205.db2.gz QEBJPKITGSKUHJ-SWLSCSKDSA-N 1 2 344.459 2.427 20 30 EEEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC(OCC)CC1 ZINC001515032308 1118929641 /nfs/dbraw/zinc/92/96/41/1118929641.db2.gz ULOBLZWGBLFWAQ-UHFFFAOYSA-N 1 2 344.463 2.184 20 30 EEEDLO C=CCN(CC=C)c1nnc([C@@H]2CCC[N@H+]2C)n1C[C@H]1CCOC1 ZINC001519747899 1119103187 /nfs/dbraw/zinc/10/31/87/1119103187.db2.gz AFOFBKAFAFONMK-CVEARBPZSA-N 1 2 331.464 2.260 20 30 EEEDLO C=CCN(CC=C)c1nnc([C@@H]2CCC[N@@H+]2C)n1C[C@H]1CCOC1 ZINC001519747899 1119103188 /nfs/dbraw/zinc/10/31/88/1119103188.db2.gz AFOFBKAFAFONMK-CVEARBPZSA-N 1 2 331.464 2.260 20 30 EEEDLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554693 219136443 /nfs/dbraw/zinc/13/64/43/219136443.db2.gz SLUDBEYPMGVUQV-KRWDZBQOSA-N 1 2 340.471 2.471 20 30 EEEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000101554979 219136902 /nfs/dbraw/zinc/13/69/02/219136902.db2.gz MPAOGNLBAUQRHE-UHFFFAOYSA-N 1 2 326.444 2.129 20 30 EEEDLO Cc1nc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)ccc1C#N ZINC000178347418 232142441 /nfs/dbraw/zinc/14/24/41/232142441.db2.gz SATMASJWNZNANM-UHFFFAOYSA-N 1 2 337.383 2.054 20 30 EEEDLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328683341 539758610 /nfs/dbraw/zinc/75/86/10/539758610.db2.gz PEULZKLZMPSVRM-OCGHMNHXSA-N 1 2 334.460 2.400 20 30 EEEDLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328683341 539758613 /nfs/dbraw/zinc/75/86/13/539758613.db2.gz PEULZKLZMPSVRM-OCGHMNHXSA-N 1 2 334.460 2.400 20 30 EEEDLO O=C(Nc1ccc(C(F)(F)F)nc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000328909995 539763647 /nfs/dbraw/zinc/76/36/47/539763647.db2.gz NDHJBNIIFJHWCX-LBPRGKRZSA-N 1 2 344.337 2.052 20 30 EEEDLO Cc1cc2ncc(C(=O)NCCc3cn4c([nH+]3)CCCC4)c(C)n2n1 ZINC000329007875 539765668 /nfs/dbraw/zinc/76/56/68/539765668.db2.gz ZLWDKACMVXKBFX-UHFFFAOYSA-N 1 2 338.415 2.426 20 30 EEEDLO CC(C)(CNC(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCOCC1 ZINC000040526451 213336348 /nfs/dbraw/zinc/33/63/48/213336348.db2.gz ZTIKORWMTOLGKS-UHFFFAOYSA-N 1 2 336.823 2.444 20 30 EEEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)c1 ZINC000361922182 283161121 /nfs/dbraw/zinc/16/11/21/283161121.db2.gz KOIOPTASZVHBGA-CYBMUJFWSA-N 1 2 336.233 2.232 20 30 EEEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCCCCCCO)cn2)n1 ZINC000131632122 237206920 /nfs/dbraw/zinc/20/69/20/237206920.db2.gz GKZBSSXKCPJJBX-UHFFFAOYSA-N 1 2 331.420 2.074 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351928317 238207950 /nfs/dbraw/zinc/20/79/50/238207950.db2.gz SFVWQSPFIJLFDV-NFAWXSAZSA-N 1 2 333.457 2.332 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351928317 238207953 /nfs/dbraw/zinc/20/79/53/238207953.db2.gz SFVWQSPFIJLFDV-NFAWXSAZSA-N 1 2 333.457 2.332 20 30 EEEDLO Cn1cc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cc1C#N ZINC000191440036 239113795 /nfs/dbraw/zinc/11/37/95/239113795.db2.gz LGQREFSURNZVSJ-CVEARBPZSA-N 1 2 331.441 2.283 20 30 EEEDLO Cn1cc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)cc1C#N ZINC000191440036 239113797 /nfs/dbraw/zinc/11/37/97/239113797.db2.gz LGQREFSURNZVSJ-CVEARBPZSA-N 1 2 331.441 2.283 20 30 EEEDLO C#C[C@H]1COCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000491375947 246010402 /nfs/dbraw/zinc/01/04/02/246010402.db2.gz YDERTBUJNNJPRT-AWEZNQCLSA-N 1 2 327.340 2.126 20 30 EEEDLO C#C[C@H]1COCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000491375947 246010405 /nfs/dbraw/zinc/01/04/05/246010405.db2.gz YDERTBUJNNJPRT-AWEZNQCLSA-N 1 2 327.340 2.126 20 30 EEEDLO COc1cc(NC(=O)C[N@H+](C)Cc2ccc(C#N)o2)cc(OC)c1 ZINC000091889377 218083738 /nfs/dbraw/zinc/08/37/38/218083738.db2.gz XTSHYEVZJSWFMQ-UHFFFAOYSA-N 1 2 329.356 2.239 20 30 EEEDLO COc1cc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)o2)cc(OC)c1 ZINC000091889377 218083741 /nfs/dbraw/zinc/08/37/41/218083741.db2.gz XTSHYEVZJSWFMQ-UHFFFAOYSA-N 1 2 329.356 2.239 20 30 EEEDLO C=CCc1cc(C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc(OC)c1O ZINC000093420548 218224669 /nfs/dbraw/zinc/22/46/69/218224669.db2.gz ZEPDSNVYQHOCJY-CHWSQXEVSA-N 1 2 341.473 2.383 20 30 EEEDLO C=CCc1cc(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc(OC)c1O ZINC000093420548 218224670 /nfs/dbraw/zinc/22/46/70/218224670.db2.gz ZEPDSNVYQHOCJY-CHWSQXEVSA-N 1 2 341.473 2.383 20 30 EEEDLO C#CC[N@@H+](Cc1cccc2c(OC)cccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000491764584 533136816 /nfs/dbraw/zinc/13/68/16/533136816.db2.gz AUHOFRYJMNDTQU-MRXNPFEDSA-N 1 2 343.448 2.471 20 30 EEEDLO C#CC[N@H+](Cc1cccc2c(OC)cccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000491764584 533136823 /nfs/dbraw/zinc/13/68/23/533136823.db2.gz AUHOFRYJMNDTQU-MRXNPFEDSA-N 1 2 343.448 2.471 20 30 EEEDLO N#Cc1ccc(NCc2ccc[nH+]c2N2CCOCC2)cc1[N+](=O)[O-] ZINC000267985055 256102230 /nfs/dbraw/zinc/10/22/30/256102230.db2.gz YZJLIWHBCXWAFD-UHFFFAOYSA-N 1 2 339.355 2.310 20 30 EEEDLO Cc1oc(NC(=O)C[NH2+][C@@H](CO)c2c(F)cccc2F)c(C#N)c1C ZINC000273161231 256271223 /nfs/dbraw/zinc/27/12/23/256271223.db2.gz ZLOLXZOGPDEPLB-AWEZNQCLSA-N 1 2 349.337 2.308 20 30 EEEDLO C#C[C@@H]1COCCN1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000491715712 533274502 /nfs/dbraw/zinc/27/45/02/533274502.db2.gz QNULIJQOIYEYPD-DZGCQCFKSA-N 1 2 348.472 2.241 20 30 EEEDLO C#C[C@@H]1COCCN1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000491715712 533274507 /nfs/dbraw/zinc/27/45/07/533274507.db2.gz QNULIJQOIYEYPD-DZGCQCFKSA-N 1 2 348.472 2.241 20 30 EEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000491404473 533286104 /nfs/dbraw/zinc/28/61/04/533286104.db2.gz CAIDXOQMPVAQCK-ZDUSSCGKSA-N 1 2 330.819 2.477 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000491404473 533286108 /nfs/dbraw/zinc/28/61/08/533286108.db2.gz CAIDXOQMPVAQCK-ZDUSSCGKSA-N 1 2 330.819 2.477 20 30 EEEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)C(N)=O)cc1 ZINC000115599304 152032749 /nfs/dbraw/zinc/03/27/49/152032749.db2.gz VFKJUWSBPHWKGQ-GOSISDBHSA-N 1 2 337.379 2.036 20 30 EEEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CNc2cccc(C#N)c2)C1 ZINC000121251735 292262760 /nfs/dbraw/zinc/26/27/60/292262760.db2.gz KRLNUIKPCAVVCC-MRXNPFEDSA-N 1 2 337.427 2.185 20 30 EEEDLO C[C@H]1C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1O ZINC000351950697 161996624 /nfs/dbraw/zinc/99/66/24/161996624.db2.gz GYBDSTQLJBWWEN-FZMZJTMJSA-N 1 2 333.457 2.140 20 30 EEEDLO C[C@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1O ZINC000351950697 161996626 /nfs/dbraw/zinc/99/66/26/161996626.db2.gz GYBDSTQLJBWWEN-FZMZJTMJSA-N 1 2 333.457 2.140 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCCO3)[C@H]1CC ZINC001087653611 782014669 /nfs/dbraw/zinc/01/46/69/782014669.db2.gz IGNHQUYASIFVPY-GXTWGEPZSA-N 1 2 338.839 2.001 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCCO3)[C@H]1CC ZINC001087653611 782014674 /nfs/dbraw/zinc/01/46/74/782014674.db2.gz IGNHQUYASIFVPY-GXTWGEPZSA-N 1 2 338.839 2.001 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nnc3ccccc3n2)[C@H]1CC ZINC001087660993 782023442 /nfs/dbraw/zinc/02/34/42/782023442.db2.gz NSJNQMDGXIWJGS-LSDHHAIUSA-N 1 2 345.834 2.360 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nnc3ccccc3n2)[C@H]1CC ZINC001087660993 782023449 /nfs/dbraw/zinc/02/34/49/782023449.db2.gz NSJNQMDGXIWJGS-LSDHHAIUSA-N 1 2 345.834 2.360 20 30 EEEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000331649022 266382261 /nfs/dbraw/zinc/38/22/61/266382261.db2.gz VZAOWPKBXKHULW-POZUXBRTSA-N 1 2 343.427 2.155 20 30 EEEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000331649022 266382264 /nfs/dbraw/zinc/38/22/64/266382264.db2.gz VZAOWPKBXKHULW-POZUXBRTSA-N 1 2 343.427 2.155 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000374311231 267112157 /nfs/dbraw/zinc/11/21/57/267112157.db2.gz OBSFPTINRMNQFG-FQEVSTJZSA-N 1 2 334.423 2.456 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000374311231 267112162 /nfs/dbraw/zinc/11/21/62/267112162.db2.gz OBSFPTINRMNQFG-FQEVSTJZSA-N 1 2 334.423 2.456 20 30 EEEDLO COC(=O)c1ccc2c(c1)C[N@@H+](CC(=O)Nc1cccc(C#N)c1)CC2 ZINC000271391143 274128578 /nfs/dbraw/zinc/12/85/78/274128578.db2.gz VKORLZQKFCPJNC-UHFFFAOYSA-N 1 2 349.390 2.342 20 30 EEEDLO COC(=O)c1ccc2c(c1)C[N@H+](CC(=O)Nc1cccc(C#N)c1)CC2 ZINC000271391143 274128581 /nfs/dbraw/zinc/12/85/81/274128581.db2.gz VKORLZQKFCPJNC-UHFFFAOYSA-N 1 2 349.390 2.342 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000115604659 277771200 /nfs/dbraw/zinc/77/12/00/277771200.db2.gz NEMVQHOTOISEMS-HUUCEWRRSA-N 1 2 342.447 2.126 20 30 EEEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)[C@H]1CC ZINC001087683339 782062238 /nfs/dbraw/zinc/06/22/38/782062238.db2.gz XPJQPKAKCIJAFF-JKSUJKDBSA-N 1 2 325.416 2.240 20 30 EEEDLO CCc1cnc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 ZINC000569060188 319541403 /nfs/dbraw/zinc/54/14/03/319541403.db2.gz AELYABXZHQUHTM-MRXNPFEDSA-N 1 2 340.452 2.468 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)nc1 ZINC000574384233 320020175 /nfs/dbraw/zinc/02/01/75/320020175.db2.gz WOSCXXLQJSRGJB-UHFFFAOYSA-N 1 2 326.425 2.363 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)nc1 ZINC000574384233 320020178 /nfs/dbraw/zinc/02/01/78/320020178.db2.gz WOSCXXLQJSRGJB-UHFFFAOYSA-N 1 2 326.425 2.363 20 30 EEEDLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000111250731 463673225 /nfs/dbraw/zinc/67/32/25/463673225.db2.gz ZWVRSVTZTQUPRM-OAHLLOKOSA-N 1 2 337.464 2.192 20 30 EEEDLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000111250731 463673228 /nfs/dbraw/zinc/67/32/28/463673228.db2.gz ZWVRSVTZTQUPRM-OAHLLOKOSA-N 1 2 337.464 2.192 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[N@@H+]2CCO[C@H](CC)C2)cc1OC ZINC000347584020 465105563 /nfs/dbraw/zinc/10/55/63/465105563.db2.gz LFHVRWXKIYOMJE-MRXNPFEDSA-N 1 2 348.443 2.101 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[N@H+]2CCO[C@H](CC)C2)cc1OC ZINC000347584020 465105568 /nfs/dbraw/zinc/10/55/68/465105568.db2.gz LFHVRWXKIYOMJE-MRXNPFEDSA-N 1 2 348.443 2.101 20 30 EEEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328733396 465113671 /nfs/dbraw/zinc/11/36/71/465113671.db2.gz HSUSXCAWXXEZKW-CHWSQXEVSA-N 1 2 331.420 2.306 20 30 EEEDLO O=C(COc1ccsc1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000328804108 465134756 /nfs/dbraw/zinc/13/47/56/465134756.db2.gz LMSKCBDUVDPJPJ-HNNXBMFYSA-N 1 2 342.486 2.291 20 30 EEEDLO CC[C@@H](C(=O)N(C)Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339245896 465164186 /nfs/dbraw/zinc/16/41/86/465164186.db2.gz IIFJDPHTVGUIRD-ROUUACIJSA-N 1 2 329.444 2.406 20 30 EEEDLO CC[C@@H](C(=O)N(C)Cc1ccc(C#N)cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339245896 465164190 /nfs/dbraw/zinc/16/41/90/465164190.db2.gz IIFJDPHTVGUIRD-ROUUACIJSA-N 1 2 329.444 2.406 20 30 EEEDLO C[C@H](C(=O)N(C)CC(=O)NCc1cccs1)[NH+]1CCSCC1 ZINC000328998663 465197831 /nfs/dbraw/zinc/19/78/31/465197831.db2.gz VDDWJULEKGDEQF-GFCCVEGCSA-N 1 2 341.502 2.100 20 30 EEEDLO C=CC[C@@H](CO)CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000341764563 465259171 /nfs/dbraw/zinc/25/91/71/465259171.db2.gz RMOGCGNWFVEOQN-JKSUJKDBSA-N 1 2 347.459 2.386 20 30 EEEDLO C=CCCCCCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000297604371 465263084 /nfs/dbraw/zinc/26/30/84/465263084.db2.gz BQQCCZRKGWMHEQ-IAGOWNOFSA-N 1 2 346.475 2.497 20 30 EEEDLO COCC1(C#N)CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000341986662 465281619 /nfs/dbraw/zinc/28/16/19/465281619.db2.gz ZWJHZYSHZVPNPB-UHFFFAOYSA-N 1 2 337.351 2.495 20 30 EEEDLO Cc1ccc(C2CCN(C([O-])=[NH+][C@H]3CCc4ncnn4C3)CC2)c[nH+]1 ZINC000329349638 465307605 /nfs/dbraw/zinc/30/76/05/465307605.db2.gz WMJFQKNCYRVNDT-INIZCTEOSA-N 1 2 340.431 2.090 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1C#N ZINC000329375469 465315442 /nfs/dbraw/zinc/31/54/42/465315442.db2.gz LJUWAADXTGICOG-WCQYABFASA-N 1 2 346.456 2.080 20 30 EEEDLO Cc1cccc2c1OC[C@H]([NH+]=C([O-])N[C@H]1CCc3[nH]c[nH+]c3C1)C2 ZINC000329698894 465409592 /nfs/dbraw/zinc/40/95/92/465409592.db2.gz CVNCHLWTPRVGSW-UONOGXRCSA-N 1 2 326.400 2.083 20 30 EEEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@H]1C[C@@]12CCOC2 ZINC000329695336 465409965 /nfs/dbraw/zinc/40/99/65/465409965.db2.gz BJODJXYPHAWNNN-FZKQIMNGSA-N 1 2 342.399 2.414 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCSc1ccccc1 ZINC000060633994 462561868 /nfs/dbraw/zinc/56/18/68/462561868.db2.gz HCLMMXKJYBWJRD-UHFFFAOYSA-N 1 2 347.484 2.243 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)Cc1[nH+]ccn1C ZINC000153440009 462651702 /nfs/dbraw/zinc/65/17/02/462651702.db2.gz NUXWCENKRPFIHE-AWEZNQCLSA-N 1 2 343.406 2.326 20 30 EEEDLO CCc1cccc(OCCN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000130713310 462772324 /nfs/dbraw/zinc/77/23/24/462772324.db2.gz NJSAOVVXSRILTP-UHFFFAOYSA-N 1 2 331.460 2.176 20 30 EEEDLO C=CCCOCC[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F ZINC000155636865 462921429 /nfs/dbraw/zinc/92/14/29/462921429.db2.gz GUAPAQNYQOBAOQ-ZDUSSCGKSA-N 1 2 345.212 2.297 20 30 EEEDLO N#Cc1nnc2ccccc2c1N1CC[NH+](Cc2ccncc2)CC1 ZINC000077486307 462994215 /nfs/dbraw/zinc/99/42/15/462994215.db2.gz NOQNUDSHGVMFJW-UHFFFAOYSA-N 1 2 330.395 2.219 20 30 EEEDLO COc1cccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000017843416 463001841 /nfs/dbraw/zinc/00/18/41/463001841.db2.gz LWHLYDPFAHIHAE-UHFFFAOYSA-N 1 2 349.434 2.454 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000051185118 463025125 /nfs/dbraw/zinc/02/51/25/463025125.db2.gz HTSWDLFBTKULSK-OAHLLOKOSA-N 1 2 348.878 2.470 20 30 EEEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N1CCCCC1)Cc1cccs1 ZINC000051262418 463028462 /nfs/dbraw/zinc/02/84/62/463028462.db2.gz LHBBWZWTRZFEAP-HNNXBMFYSA-N 1 2 349.500 2.253 20 30 EEEDLO C=CC[N@H+](CC(=O)N[C@@H](C)C(=O)N1CCCCC1)Cc1cccs1 ZINC000051262418 463028467 /nfs/dbraw/zinc/02/84/67/463028467.db2.gz LHBBWZWTRZFEAP-HNNXBMFYSA-N 1 2 349.500 2.253 20 30 EEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000078616158 463134984 /nfs/dbraw/zinc/13/49/84/463134984.db2.gz UDHKHZAFCIKJII-VQIMIIECSA-N 1 2 340.471 2.316 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)CCn3cc[nH+]c3)C2)c(F)c1 ZINC000068531769 463148095 /nfs/dbraw/zinc/14/80/95/463148095.db2.gz JYOLQEMQHYZIEZ-OAHLLOKOSA-N 1 2 341.390 2.069 20 30 EEEDLO C#C[C@@H](C)N(C)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000491278590 468340059 /nfs/dbraw/zinc/34/00/59/468340059.db2.gz UJCCMEZSLUXXKE-AEFFLSMTSA-N 1 2 329.444 2.031 20 30 EEEDLO CCOc1ccccc1NC(=O)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000054391084 463232914 /nfs/dbraw/zinc/23/29/14/463232914.db2.gz PXGZVTNDOLGBTQ-UHFFFAOYSA-N 1 2 348.428 2.320 20 30 EEEDLO Cn1cc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cn1 ZINC000123050244 463313269 /nfs/dbraw/zinc/31/32/69/463313269.db2.gz NGPQCZJNHUYVDB-UHFFFAOYSA-N 1 2 345.834 2.452 20 30 EEEDLO Cn1cc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cn1 ZINC000123050244 463313273 /nfs/dbraw/zinc/31/32/73/463313273.db2.gz NGPQCZJNHUYVDB-UHFFFAOYSA-N 1 2 345.834 2.452 20 30 EEEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)C2CCOCC2)CC1 ZINC000160246198 463323206 /nfs/dbraw/zinc/32/32/06/463323206.db2.gz FRAIECNWOUVMKZ-UHFFFAOYSA-N 1 2 345.418 2.205 20 30 EEEDLO C#CC[N@@H+](C[C@@H](C)c1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000491515636 468359579 /nfs/dbraw/zinc/35/95/79/468359579.db2.gz ORUGEVCEKKQMIE-WBMJQRKESA-N 1 2 327.396 2.191 20 30 EEEDLO C#CC[N@H+](C[C@@H](C)c1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000491515636 468359582 /nfs/dbraw/zinc/35/95/82/468359582.db2.gz ORUGEVCEKKQMIE-WBMJQRKESA-N 1 2 327.396 2.191 20 30 EEEDLO CCCCCNC(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000124756589 463460760 /nfs/dbraw/zinc/46/07/60/463460760.db2.gz LSMXEZNFKHNTRO-SFHVURJKSA-N 1 2 328.460 2.175 20 30 EEEDLO COCC[N@H+](CCC#N)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000072690393 463534432 /nfs/dbraw/zinc/53/44/32/463534432.db2.gz CAKSGMCQEHIYLI-GOSISDBHSA-N 1 2 328.412 2.442 20 30 EEEDLO COCC[N@@H+](CCC#N)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000072690393 463534437 /nfs/dbraw/zinc/53/44/37/463534437.db2.gz CAKSGMCQEHIYLI-GOSISDBHSA-N 1 2 328.412 2.442 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000084116645 463579606 /nfs/dbraw/zinc/57/96/06/463579606.db2.gz VGGDZXKCIAHBJG-QGZVFWFLSA-N 1 2 339.443 2.472 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000084116645 463579609 /nfs/dbraw/zinc/57/96/09/463579609.db2.gz VGGDZXKCIAHBJG-QGZVFWFLSA-N 1 2 339.443 2.472 20 30 EEEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3cccc(CC#N)c3)CC2)S1 ZINC000073117260 463586051 /nfs/dbraw/zinc/58/60/51/463586051.db2.gz WCSVMQNOZNHCMU-CYBMUJFWSA-N 1 2 328.441 2.002 20 30 EEEDLO N#CC1(C(=O)N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)CCCC1 ZINC000084538986 463610773 /nfs/dbraw/zinc/61/07/73/463610773.db2.gz UXINQEUBXGOEGU-ZWKOTPCHSA-N 1 2 339.439 2.182 20 30 EEEDLO N#CC1(C(=O)N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)CCCC1 ZINC000084538986 463610779 /nfs/dbraw/zinc/61/07/79/463610779.db2.gz UXINQEUBXGOEGU-ZWKOTPCHSA-N 1 2 339.439 2.182 20 30 EEEDLO COc1ccc([C@H]([NH2+]CC(=O)NCC#N)c2ccccc2OC)cc1 ZINC000152200996 463659690 /nfs/dbraw/zinc/65/96/90/463659690.db2.gz XZFSQQABQKYRPK-IBGZPJMESA-N 1 2 339.395 2.023 20 30 EEEDLO COc1ccc(C[NH2+][C@@H](C)c2ncnn2C)cc1OCCCC#N ZINC000276747342 463742124 /nfs/dbraw/zinc/74/21/24/463742124.db2.gz SLWKLAXWTRXQCZ-ZDUSSCGKSA-N 1 2 329.404 2.357 20 30 EEEDLO CCCCNC(=O)[C@H](C)O[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000178149681 463853260 /nfs/dbraw/zinc/85/32/60/463853260.db2.gz AXCIINOVMMJBRT-AWEZNQCLSA-N 1 2 347.463 2.014 20 30 EEEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000590958912 468383692 /nfs/dbraw/zinc/38/36/92/468383692.db2.gz SXQQNNFHMHLYHY-JJRVBVJISA-N 1 2 340.427 2.422 20 30 EEEDLO C[C@@H](C(=O)N1CCCC1)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186281128 463967117 /nfs/dbraw/zinc/96/71/17/463967117.db2.gz DWFXQHSNMLGKEN-IRXDYDNUSA-N 1 2 340.471 2.248 20 30 EEEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186281128 463967123 /nfs/dbraw/zinc/96/71/23/463967123.db2.gz DWFXQHSNMLGKEN-IRXDYDNUSA-N 1 2 340.471 2.248 20 30 EEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000172150045 464001500 /nfs/dbraw/zinc/00/15/00/464001500.db2.gz VIBZIRZGFBATQP-INIZCTEOSA-N 1 2 334.423 2.401 20 30 EEEDLO C#C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1)C(C)(C)C ZINC000289115797 464068075 /nfs/dbraw/zinc/06/80/75/464068075.db2.gz QKTLVPOQHSLDCV-ZBFHGGJFSA-N 1 2 349.500 2.469 20 30 EEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1ccc(C#N)cc1F ZINC000289719519 464092913 /nfs/dbraw/zinc/09/29/13/464092913.db2.gz RZBCVMBZCPXPOK-HOCLYGCPSA-N 1 2 345.397 2.480 20 30 EEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1ccc(C#N)cc1F ZINC000289719519 464092918 /nfs/dbraw/zinc/09/29/18/464092918.db2.gz RZBCVMBZCPXPOK-HOCLYGCPSA-N 1 2 345.397 2.480 20 30 EEEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1CCc2ccccc21 ZINC000290152736 464108919 /nfs/dbraw/zinc/10/89/19/464108919.db2.gz CSRCGMLRJAGCSN-QGZVFWFLSA-N 1 2 341.436 2.346 20 30 EEEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1CCc2ccccc21 ZINC000290152736 464108931 /nfs/dbraw/zinc/10/89/31/464108931.db2.gz CSRCGMLRJAGCSN-QGZVFWFLSA-N 1 2 341.436 2.346 20 30 EEEDLO C[C@H](c1cccs1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290350126 464116176 /nfs/dbraw/zinc/11/61/76/464116176.db2.gz QBGLFEKGOCCPRC-GFCCVEGCSA-N 1 2 335.454 2.481 20 30 EEEDLO C[C@H](c1cccs1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290350126 464116179 /nfs/dbraw/zinc/11/61/79/464116179.db2.gz QBGLFEKGOCCPRC-GFCCVEGCSA-N 1 2 335.454 2.481 20 30 EEEDLO Cc1cc(OCC(=O)NC(N)=O)ccc1[NH2+]CC(C)(C)CCC#N ZINC000280621901 464222616 /nfs/dbraw/zinc/22/26/16/464222616.db2.gz LDOVQSOTPUEVBQ-UHFFFAOYSA-N 1 2 332.404 2.311 20 30 EEEDLO N#C[C@@H]1CN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCO1 ZINC000270318772 464250818 /nfs/dbraw/zinc/25/08/18/464250818.db2.gz KFTHBJMPFQRDGK-OAHLLOKOSA-N 1 2 349.394 2.358 20 30 EEEDLO C[C@@H]1CC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@H]1C ZINC000271025568 464276144 /nfs/dbraw/zinc/27/61/44/464276144.db2.gz KBYAPHRXKIVSIW-UMVBOHGHSA-N 1 2 338.411 2.490 20 30 EEEDLO C[C@@H]1CC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@H]1C ZINC000271025568 464276150 /nfs/dbraw/zinc/27/61/50/464276150.db2.gz KBYAPHRXKIVSIW-UMVBOHGHSA-N 1 2 338.411 2.490 20 30 EEEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1cc(F)c(F)c(F)c1 ZINC000180511891 464326670 /nfs/dbraw/zinc/32/66/70/464326670.db2.gz KKZGXVSDSWAOKB-UHFFFAOYSA-N 1 2 338.333 2.192 20 30 EEEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1cc(F)c(F)c(F)c1 ZINC000180511891 464326676 /nfs/dbraw/zinc/32/66/76/464326676.db2.gz KKZGXVSDSWAOKB-UHFFFAOYSA-N 1 2 338.333 2.192 20 30 EEEDLO CCn1cnc2c(c1=O)CC[N@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC000281110472 464334985 /nfs/dbraw/zinc/33/49/85/464334985.db2.gz WSALBQIBGJQFQL-UHFFFAOYSA-N 1 2 327.815 2.326 20 30 EEEDLO CCn1cnc2c(c1=O)CC[N@@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC000281110472 464334991 /nfs/dbraw/zinc/33/49/91/464334991.db2.gz WSALBQIBGJQFQL-UHFFFAOYSA-N 1 2 327.815 2.326 20 30 EEEDLO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](F)C(F)(F)F ZINC000293260334 464395298 /nfs/dbraw/zinc/39/52/98/464395298.db2.gz MPRVVRCGBZWXFK-CYBMUJFWSA-N 1 2 331.313 2.349 20 30 EEEDLO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C(F)C(F)(F)F ZINC000293260334 464395314 /nfs/dbraw/zinc/39/53/14/464395314.db2.gz MPRVVRCGBZWXFK-CYBMUJFWSA-N 1 2 331.313 2.349 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000293292576 464397650 /nfs/dbraw/zinc/39/76/50/464397650.db2.gz WDCGJHZDNYTUAY-HZPDHXFCSA-N 1 2 329.444 2.194 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000293292576 464397659 /nfs/dbraw/zinc/39/76/59/464397659.db2.gz WDCGJHZDNYTUAY-HZPDHXFCSA-N 1 2 329.444 2.194 20 30 EEEDLO COCCc1ccc(OC[C@H](O)C[N@H+](CC#N)C2CCCC2)cc1 ZINC000293301045 464399102 /nfs/dbraw/zinc/39/91/02/464399102.db2.gz ZLSIFDOAXZCDLO-GOSISDBHSA-N 1 2 332.444 2.383 20 30 EEEDLO COCCc1ccc(OC[C@H](O)C[N@@H+](CC#N)C2CCCC2)cc1 ZINC000293301045 464399107 /nfs/dbraw/zinc/39/91/07/464399107.db2.gz ZLSIFDOAXZCDLO-GOSISDBHSA-N 1 2 332.444 2.383 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2c3ccccc3CC[C@H]2C)C1=O ZINC000281301508 464406621 /nfs/dbraw/zinc/40/66/21/464406621.db2.gz JXJJCCZTYSJPLR-QAPCUYQASA-N 1 2 341.455 2.073 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2c3ccccc3CC[C@H]2C)C1=O ZINC000281301508 464406628 /nfs/dbraw/zinc/40/66/28/464406628.db2.gz JXJJCCZTYSJPLR-QAPCUYQASA-N 1 2 341.455 2.073 20 30 EEEDLO CN(C)c1ccc(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c[nH+]1 ZINC000294082344 464432347 /nfs/dbraw/zinc/43/23/47/464432347.db2.gz NVIUJEXQEGQICE-UHFFFAOYSA-N 1 2 349.316 2.363 20 30 EEEDLO C=CCC[C@@H](C(=O)N[C@H](C)C[NH+]1CCN(C)CC1)c1ccccc1 ZINC000189312874 464474133 /nfs/dbraw/zinc/47/41/33/464474133.db2.gz GLHUNEWAOKWRDO-IEBWSBKVSA-N 1 2 329.488 2.489 20 30 EEEDLO C#CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000181995936 464546953 /nfs/dbraw/zinc/54/69/53/464546953.db2.gz SZCZJXUZAXOECA-UHFFFAOYSA-N 1 2 336.413 2.246 20 30 EEEDLO C#CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000181995936 464546962 /nfs/dbraw/zinc/54/69/62/464546962.db2.gz SZCZJXUZAXOECA-UHFFFAOYSA-N 1 2 336.413 2.246 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1CO ZINC000246291255 464568769 /nfs/dbraw/zinc/56/87/69/464568769.db2.gz DGHMJKTYGVUYTK-KGLIPLIRSA-N 1 2 333.457 2.334 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1CO ZINC000246291255 464568773 /nfs/dbraw/zinc/56/87/73/464568773.db2.gz DGHMJKTYGVUYTK-KGLIPLIRSA-N 1 2 333.457 2.334 20 30 EEEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000175556994 464573783 /nfs/dbraw/zinc/57/37/83/464573783.db2.gz LWXYISUIQFKBQQ-HNNXBMFYSA-N 1 2 345.418 2.351 20 30 EEEDLO N#Cc1cccc(OC2CCN(c3nc[nH+]c4c3OCCN4)CC2)c1 ZINC000591145001 468414918 /nfs/dbraw/zinc/41/49/18/468414918.db2.gz JMROEOIJNNTEGA-UHFFFAOYSA-N 1 2 337.383 2.200 20 30 EEEDLO N#Cc1cccc(OC2CCN(c3[nH+]cnc4c3OCCN4)CC2)c1 ZINC000591145001 468414921 /nfs/dbraw/zinc/41/49/21/468414921.db2.gz JMROEOIJNNTEGA-UHFFFAOYSA-N 1 2 337.383 2.200 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)[nH]1 ZINC000272788273 464689708 /nfs/dbraw/zinc/68/97/08/464689708.db2.gz XKNTYHWNYJVBLU-GOSISDBHSA-N 1 2 338.411 2.184 20 30 EEEDLO C=CCOc1ccc(CC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000295169920 464731139 /nfs/dbraw/zinc/73/11/39/464731139.db2.gz AKCJMVWSAITQEH-WMZOPIPTSA-N 1 2 344.455 2.116 20 30 EEEDLO CN1CCN(S(=O)(=O)CC2(C#N)CCCCC2)c2ccc[nH+]c21 ZINC000547795063 468421741 /nfs/dbraw/zinc/42/17/41/468421741.db2.gz HCPDFZQQNCLKHL-UHFFFAOYSA-N 1 2 334.445 2.142 20 30 EEEDLO COc1ccc(C)cc1NC(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000266219636 464769412 /nfs/dbraw/zinc/76/94/12/464769412.db2.gz QXBJIJXGIWRAHH-ZDUSSCGKSA-N 1 2 337.420 2.292 20 30 EEEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000191120021 464781123 /nfs/dbraw/zinc/78/11/23/464781123.db2.gz DUGLYGVWTUOAPQ-LBPRGKRZSA-N 1 2 337.376 2.065 20 30 EEEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000191120021 464781130 /nfs/dbraw/zinc/78/11/30/464781130.db2.gz DUGLYGVWTUOAPQ-LBPRGKRZSA-N 1 2 337.376 2.065 20 30 EEEDLO CC[C@](C)(C#N)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000286069419 464792320 /nfs/dbraw/zinc/79/23/20/464792320.db2.gz VCHIWISSCXBYRV-ZIFCJYIRSA-N 1 2 327.428 2.038 20 30 EEEDLO CC[C@](C)(C#N)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000286069419 464792324 /nfs/dbraw/zinc/79/23/24/464792324.db2.gz VCHIWISSCXBYRV-ZIFCJYIRSA-N 1 2 327.428 2.038 20 30 EEEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(C#N)cc3Cl)C[C@H]21 ZINC000286163368 464823705 /nfs/dbraw/zinc/82/37/05/464823705.db2.gz YWUKWNNUIBYAEG-CABCVRRESA-N 1 2 334.807 2.148 20 30 EEEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(C#N)cc3Cl)C[C@H]21 ZINC000286163368 464823707 /nfs/dbraw/zinc/82/37/07/464823707.db2.gz YWUKWNNUIBYAEG-CABCVRRESA-N 1 2 334.807 2.148 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000249152382 464848143 /nfs/dbraw/zinc/84/81/43/464848143.db2.gz XYXJPOPGUDCMAC-JKSUJKDBSA-N 1 2 346.450 2.344 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000249152382 464848149 /nfs/dbraw/zinc/84/81/49/464848149.db2.gz XYXJPOPGUDCMAC-JKSUJKDBSA-N 1 2 346.450 2.344 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2Cc2cc(F)ccc2C#N)O1 ZINC000282552165 464862243 /nfs/dbraw/zinc/86/22/43/464862243.db2.gz XGEUWYOCBJGRAF-JKEMJCCQSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2Cc2cc(F)ccc2C#N)O1 ZINC000282552165 464862248 /nfs/dbraw/zinc/86/22/48/464862248.db2.gz XGEUWYOCBJGRAF-JKEMJCCQSA-N 1 2 332.375 2.381 20 30 EEEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cs1 ZINC000267489015 464934529 /nfs/dbraw/zinc/93/45/29/464934529.db2.gz ZBNNXAFSPFGPIN-MISXGVKJSA-N 1 2 338.477 2.366 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000253358136 464992854 /nfs/dbraw/zinc/99/28/54/464992854.db2.gz LJIKXYIGEJJMEV-DOTOQJQBSA-N 1 2 333.432 2.269 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000253358136 464992860 /nfs/dbraw/zinc/99/28/60/464992860.db2.gz LJIKXYIGEJJMEV-DOTOQJQBSA-N 1 2 333.432 2.269 20 30 EEEDLO C[C@H](C(=O)NCC[C@H]1c2ccccc2NC1=O)[NH+]1CCN(C)CC1 ZINC000329416185 465326437 /nfs/dbraw/zinc/32/64/37/465326437.db2.gz FPSDNAULLFMZNF-HIFRSBDPSA-N 1 2 330.432 2.354 20 30 EEEDLO N#Cc1ccc(NC(=O)C[NH2+][C@H](CO)c2c(F)cccc2F)cc1 ZINC000359518440 465427202 /nfs/dbraw/zinc/42/72/02/465427202.db2.gz BWJTZQGANAOCKQ-OAHLLOKOSA-N 1 2 331.322 2.098 20 30 EEEDLO CN(Cc1nccn1C(F)F)C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329898072 465467109 /nfs/dbraw/zinc/46/71/09/465467109.db2.gz DLQZBVCJNQKPNL-LLVKDONJSA-N 1 2 338.362 2.083 20 30 EEEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)NCCc1ccc(F)cc1)CCO2 ZINC000329923021 465475005 /nfs/dbraw/zinc/47/50/05/465475005.db2.gz GSTOUJFLZBFPMG-KBXCAEBGSA-N 1 2 336.407 2.205 20 30 EEEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)NCCc1ccc(F)cc1)CCO2 ZINC000329923021 465475012 /nfs/dbraw/zinc/47/50/12/465475012.db2.gz GSTOUJFLZBFPMG-KBXCAEBGSA-N 1 2 336.407 2.205 20 30 EEEDLO CCN1CCN(C(=O)NCCc2cccs2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329932737 465477846 /nfs/dbraw/zinc/47/78/46/465477846.db2.gz PRMPSDKUVZBJSZ-CQSZACIVSA-N 1 2 333.461 2.307 20 30 EEEDLO COCC1(C#N)CC[NH+](Cc2cn(-c3ccccc3C)nn2)CC1 ZINC000348286327 465532393 /nfs/dbraw/zinc/53/23/93/465532393.db2.gz ZBYOUQLKYGDMRM-UHFFFAOYSA-N 1 2 325.416 2.328 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000352670661 465545094 /nfs/dbraw/zinc/54/50/94/465545094.db2.gz HTBWXJVZJRAHNE-HBFSDRIKSA-N 1 2 347.455 2.035 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000352670661 465545100 /nfs/dbraw/zinc/54/51/00/465545100.db2.gz HTBWXJVZJRAHNE-HBFSDRIKSA-N 1 2 347.455 2.035 20 30 EEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000352801106 465557146 /nfs/dbraw/zinc/55/71/46/465557146.db2.gz QVAPXEORQYHIJE-CQSZACIVSA-N 1 2 331.416 2.101 20 30 EEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000352801106 465557150 /nfs/dbraw/zinc/55/71/50/465557150.db2.gz QVAPXEORQYHIJE-CQSZACIVSA-N 1 2 331.416 2.101 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)Cc1cnn(C(C)C)c1 ZINC000352905615 465567974 /nfs/dbraw/zinc/56/79/74/465567974.db2.gz YXABBBPPZYHNEN-CALCHBBNSA-N 1 2 348.491 2.478 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)Cc1cnn(C(C)C)c1 ZINC000352905615 465567980 /nfs/dbraw/zinc/56/79/80/465567980.db2.gz YXABBBPPZYHNEN-CALCHBBNSA-N 1 2 348.491 2.478 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)NC[C@@H]1CCCO1)Cc1cnn(C(C)C)c1 ZINC000352915936 465569105 /nfs/dbraw/zinc/56/91/05/465569105.db2.gz QKUJSFSEZBDYNS-KRWDZBQOSA-N 1 2 334.464 2.137 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)NC[C@@H]1CCCO1)Cc1cnn(C(C)C)c1 ZINC000352915936 465569110 /nfs/dbraw/zinc/56/91/10/465569110.db2.gz QKUJSFSEZBDYNS-KRWDZBQOSA-N 1 2 334.464 2.137 20 30 EEEDLO CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330265921 465591622 /nfs/dbraw/zinc/59/16/22/465591622.db2.gz ZXTGCKZKPNOMMF-NWDGAFQWSA-N 1 2 336.461 2.102 20 30 EEEDLO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330292262 465601751 /nfs/dbraw/zinc/60/17/51/465601751.db2.gz DEUYRTSIBPRRGF-LLVKDONJSA-N 1 2 329.404 2.304 20 30 EEEDLO CCN1CCN(C(=O)Nc2c(F)cccc2OC)C[C@H]1c1[nH]cc[nH+]1 ZINC000330323214 465611566 /nfs/dbraw/zinc/61/15/66/465611566.db2.gz HKLAKLAYOCCZSC-ZDUSSCGKSA-N 1 2 347.394 2.482 20 30 EEEDLO CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330328015 465613411 /nfs/dbraw/zinc/61/34/11/465613411.db2.gz LISNMFMCCBEKCM-IIAWOOMASA-N 1 2 348.447 2.388 20 30 EEEDLO Cn1ncc2c1nc[nH+]c2NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000337845240 465624152 /nfs/dbraw/zinc/62/41/52/465624152.db2.gz CSIYBDAZNLLSMP-UHFFFAOYSA-N 1 2 330.355 2.237 20 30 EEEDLO CC(C)c1[nH+]c2c(n1C)CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000330668894 465754685 /nfs/dbraw/zinc/75/46/85/465754685.db2.gz ZMBKIYUNCFUWBK-AUUYWEPGSA-N 1 2 345.491 2.345 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)CCCCC1 ZINC000340202434 465872660 /nfs/dbraw/zinc/87/26/60/465872660.db2.gz VRHSQGWHANKIID-JSGCOSHPSA-N 1 2 347.381 2.107 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)CCCCC1 ZINC000340202434 465872666 /nfs/dbraw/zinc/87/26/66/465872666.db2.gz VRHSQGWHANKIID-JSGCOSHPSA-N 1 2 347.381 2.107 20 30 EEEDLO N#CCCCOc1cccnc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000366711533 465891197 /nfs/dbraw/zinc/89/11/97/465891197.db2.gz RVECVAHVMKBDLE-ZDUSSCGKSA-N 1 2 325.372 2.162 20 30 EEEDLO COc1cc(OC)cc(-n2nnnc2C[N@H+](C)CCC(C)(C)C#N)c1 ZINC000345712844 465894114 /nfs/dbraw/zinc/89/41/14/465894114.db2.gz ORXMUSPGYPUQKK-UHFFFAOYSA-N 1 2 344.419 2.051 20 30 EEEDLO COc1cc(OC)cc(-n2nnnc2C[N@@H+](C)CCC(C)(C)C#N)c1 ZINC000345712844 465894119 /nfs/dbraw/zinc/89/41/19/465894119.db2.gz ORXMUSPGYPUQKK-UHFFFAOYSA-N 1 2 344.419 2.051 20 30 EEEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000594023345 468464205 /nfs/dbraw/zinc/46/42/05/468464205.db2.gz QXZUBNLDQFKIMR-GJYPPUQNSA-N 1 2 341.455 2.058 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC([C@H]3CCOC3)CC2)cc1 ZINC000371753205 465979724 /nfs/dbraw/zinc/97/97/24/465979724.db2.gz NNAFVDYTAATEFP-KRWDZBQOSA-N 1 2 348.468 2.080 20 30 EEEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000331338328 466039875 /nfs/dbraw/zinc/03/98/75/466039875.db2.gz LPPJRFMZQHPGGH-LLVKDONJSA-N 1 2 337.468 2.356 20 30 EEEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000331338328 466039884 /nfs/dbraw/zinc/03/98/84/466039884.db2.gz LPPJRFMZQHPGGH-LLVKDONJSA-N 1 2 337.468 2.356 20 30 EEEDLO CCOCCOCC[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000346631828 466121692 /nfs/dbraw/zinc/12/16/92/466121692.db2.gz COHHTWYUWJOUHH-UHFFFAOYSA-N 1 2 330.388 2.093 20 30 EEEDLO CCOCCOCC[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000346631828 466121700 /nfs/dbraw/zinc/12/17/00/466121700.db2.gz COHHTWYUWJOUHH-UHFFFAOYSA-N 1 2 330.388 2.093 20 30 EEEDLO N#CC1(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)CCCCC1 ZINC000331851192 466273890 /nfs/dbraw/zinc/27/38/90/466273890.db2.gz WJOKLZAAOLQPFJ-UHFFFAOYSA-N 1 2 327.428 2.475 20 30 EEEDLO COCC[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(C)o1 ZINC000349947822 466322268 /nfs/dbraw/zinc/32/22/68/466322268.db2.gz FVYJTGVFDPZPEE-NVXWUHKLSA-N 1 2 327.384 2.354 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000340921972 466436764 /nfs/dbraw/zinc/43/67/64/466436764.db2.gz FREJJADGOKMKSG-RDBSUJKOSA-N 1 2 333.457 2.332 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000340921972 466436773 /nfs/dbraw/zinc/43/67/73/466436773.db2.gz FREJJADGOKMKSG-RDBSUJKOSA-N 1 2 333.457 2.332 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000581433071 468494050 /nfs/dbraw/zinc/49/40/50/468494050.db2.gz VWMJXFKVGNXETE-ZDUSSCGKSA-N 1 2 344.293 2.187 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000332304980 466498050 /nfs/dbraw/zinc/49/80/50/466498050.db2.gz QWHAEHPKAJFOSP-HLLBOEOZSA-N 1 2 327.432 2.162 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc(F)c(Br)c1 ZINC000581827160 468499438 /nfs/dbraw/zinc/49/94/38/468499438.db2.gz FULMRQACEWJRSY-CQSZACIVSA-N 1 2 342.212 2.091 20 30 EEEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NS(=O)(=O)[C@H](C)C#N)c(C)c1 ZINC000416439392 466733530 /nfs/dbraw/zinc/73/35/30/466733530.db2.gz BVFAMWSXTGTEQY-ZBFHGGJFSA-N 1 2 332.429 2.073 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)cc1F ZINC000365240718 466754912 /nfs/dbraw/zinc/75/49/12/466754912.db2.gz JMESFMFOQRCERY-UHFFFAOYSA-N 1 2 326.375 2.374 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)cc1F ZINC000365240718 466754921 /nfs/dbraw/zinc/75/49/21/466754921.db2.gz JMESFMFOQRCERY-UHFFFAOYSA-N 1 2 326.375 2.374 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000411767572 466897769 /nfs/dbraw/zinc/89/77/69/466897769.db2.gz FYRNDNWBDCCCTA-IBGZPJMESA-N 1 2 330.428 2.226 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000411767572 466897773 /nfs/dbraw/zinc/89/77/73/466897773.db2.gz FYRNDNWBDCCCTA-IBGZPJMESA-N 1 2 330.428 2.226 20 30 EEEDLO C#Cc1ccc(C[N@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)cc1 ZINC000377548589 467084932 /nfs/dbraw/zinc/08/49/32/467084932.db2.gz HWMFSJGVMGRMRP-UHFFFAOYSA-N 1 2 340.448 2.450 20 30 EEEDLO C#Cc1ccc(C[N@@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)cc1 ZINC000377548589 467084935 /nfs/dbraw/zinc/08/49/35/467084935.db2.gz HWMFSJGVMGRMRP-UHFFFAOYSA-N 1 2 340.448 2.450 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CCCCC1 ZINC000377773601 467137857 /nfs/dbraw/zinc/13/78/57/467137857.db2.gz XNZXLXAGGADVKQ-WBVHZDCISA-N 1 2 331.460 2.363 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CCCCC1 ZINC000377773601 467137858 /nfs/dbraw/zinc/13/78/58/467137858.db2.gz XNZXLXAGGADVKQ-WBVHZDCISA-N 1 2 331.460 2.363 20 30 EEEDLO COC[C@@]1(CO)CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000451923190 467283518 /nfs/dbraw/zinc/28/35/18/467283518.db2.gz BBTMOFDGHAWBRC-HNNXBMFYSA-N 1 2 339.233 2.152 20 30 EEEDLO COC[C@@]1(CO)CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000451923190 467283521 /nfs/dbraw/zinc/28/35/21/467283521.db2.gz BBTMOFDGHAWBRC-HNNXBMFYSA-N 1 2 339.233 2.152 20 30 EEEDLO C[N@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)CC(C)(C)C#N ZINC000433285885 467314338 /nfs/dbraw/zinc/31/43/38/467314338.db2.gz IPYIJOSJGJWYDE-UHFFFAOYSA-N 1 2 339.386 2.428 20 30 EEEDLO C[N@@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)CC(C)(C)C#N ZINC000433285885 467314341 /nfs/dbraw/zinc/31/43/41/467314341.db2.gz IPYIJOSJGJWYDE-UHFFFAOYSA-N 1 2 339.386 2.428 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(F)cc1Br ZINC000414141977 467382749 /nfs/dbraw/zinc/38/27/49/467382749.db2.gz IUMLWUPLXMAUAP-LLVKDONJSA-N 1 2 331.185 2.173 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(F)cc1Br ZINC000414141977 467382751 /nfs/dbraw/zinc/38/27/51/467382751.db2.gz IUMLWUPLXMAUAP-LLVKDONJSA-N 1 2 331.185 2.173 20 30 EEEDLO C=CCNC(=O)C[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430252571 467411719 /nfs/dbraw/zinc/41/17/19/467411719.db2.gz GOCUVRCGCONNOQ-UHFFFAOYSA-N 1 2 332.835 2.378 20 30 EEEDLO C=CCNC(=O)C[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430252571 467411721 /nfs/dbraw/zinc/41/17/21/467411721.db2.gz GOCUVRCGCONNOQ-UHFFFAOYSA-N 1 2 332.835 2.378 20 30 EEEDLO C=CC[C@@H]1N(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CCCC1(C)C ZINC000445088360 467584042 /nfs/dbraw/zinc/58/40/42/467584042.db2.gz GDSBDSMQFFYQMG-IRXDYDNUSA-N 1 2 336.524 2.399 20 30 EEEDLO C=C(C)CCNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000458361340 467815536 /nfs/dbraw/zinc/81/55/36/467815536.db2.gz GXDMVXROUUPZSY-GOSISDBHSA-N 1 2 331.460 2.195 20 30 EEEDLO C=CCOc1ccc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1OC ZINC000493294209 467880453 /nfs/dbraw/zinc/88/04/53/467880453.db2.gz VXGKKOJQCJHRBX-QIBOZCLASA-N 1 2 343.427 2.233 20 30 EEEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc(F)ccc3F)CC2)c1C#N ZINC000471826431 467976973 /nfs/dbraw/zinc/97/69/73/467976973.db2.gz NEFAQGZPDMWABS-UHFFFAOYSA-N 1 2 331.370 2.201 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ccc(C#N)c(C)n3)CC2)no1 ZINC000487740282 468052337 /nfs/dbraw/zinc/05/23/37/468052337.db2.gz PBONZDHRJKWPTN-INIZCTEOSA-N 1 2 340.431 2.444 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ccc(C#N)c(C)n3)CC2)no1 ZINC000487740282 468052341 /nfs/dbraw/zinc/05/23/41/468052341.db2.gz PBONZDHRJKWPTN-INIZCTEOSA-N 1 2 340.431 2.444 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(NC(=O)c2ccco2)cc1 ZINC000516965931 468060476 /nfs/dbraw/zinc/06/04/76/468060476.db2.gz RIFFUNXUXRPUTH-MRXNPFEDSA-N 1 2 342.399 2.150 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(NC(=O)c2ccco2)cc1 ZINC000516965931 468060478 /nfs/dbraw/zinc/06/04/78/468060478.db2.gz RIFFUNXUXRPUTH-MRXNPFEDSA-N 1 2 342.399 2.150 20 30 EEEDLO CC(C)[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1nc(-c2nc[nH]n2)no1 ZINC000494636750 468075426 /nfs/dbraw/zinc/07/54/26/468075426.db2.gz ZBFUEOMQAYWBQF-CYBMUJFWSA-N 1 2 341.350 2.352 20 30 EEEDLO CC(C)CN1C[C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)CCN2C1=O ZINC000488733888 468100121 /nfs/dbraw/zinc/10/01/21/468100121.db2.gz MQQVYADPWZACNL-MRXNPFEDSA-N 1 2 330.407 2.275 20 30 EEEDLO CC(C)CN1C[C@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)CCN2C1=O ZINC000488733888 468100123 /nfs/dbraw/zinc/10/01/23/468100123.db2.gz MQQVYADPWZACNL-MRXNPFEDSA-N 1 2 330.407 2.275 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(C#N)n1)c1ccc(F)cc1 ZINC000589266327 468139460 /nfs/dbraw/zinc/13/94/60/468139460.db2.gz KLSNZYOOFNINKJ-INIZCTEOSA-N 1 2 335.342 2.345 20 30 EEEDLO COC(=O)c1ccc([C@@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)o1 ZINC000590013938 468206484 /nfs/dbraw/zinc/20/64/84/468206484.db2.gz IECXNWJCIMJTLN-CYBMUJFWSA-N 1 2 340.383 2.216 20 30 EEEDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149068 468639026 /nfs/dbraw/zinc/63/90/26/468639026.db2.gz IBONEEWEPVXIRC-MEDUHNTESA-N 1 2 343.343 2.056 20 30 EEEDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149068 468639030 /nfs/dbraw/zinc/63/90/30/468639030.db2.gz IBONEEWEPVXIRC-MEDUHNTESA-N 1 2 343.343 2.056 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+]([C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000592150493 468639670 /nfs/dbraw/zinc/63/96/70/468639670.db2.gz FJYJMUJUBVEQDQ-RDJZCZTQSA-N 1 2 333.819 2.186 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+]([C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000592150493 468639674 /nfs/dbraw/zinc/63/96/74/468639674.db2.gz FJYJMUJUBVEQDQ-RDJZCZTQSA-N 1 2 333.819 2.186 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000592152890 468641235 /nfs/dbraw/zinc/64/12/35/468641235.db2.gz GGNINDIYLXAECH-CQSZACIVSA-N 1 2 336.189 2.441 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000592152890 468641241 /nfs/dbraw/zinc/64/12/41/468641241.db2.gz GGNINDIYLXAECH-CQSZACIVSA-N 1 2 336.189 2.441 20 30 EEEDLO N#C[C@H](CCc1ccccc1)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597707030 468645777 /nfs/dbraw/zinc/64/57/77/468645777.db2.gz MIESQNRWHWMLIL-RBUKOAKNSA-N 1 2 341.455 2.082 20 30 EEEDLO C=CC[N@H+](Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1)[C@H](C)COC ZINC000595639285 468935270 /nfs/dbraw/zinc/93/52/70/468935270.db2.gz RNLUTLCZFYWDAI-GFCCVEGCSA-N 1 2 345.399 2.145 20 30 EEEDLO C=CC[N@@H+](Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1)[C@H](C)COC ZINC000595639285 468935274 /nfs/dbraw/zinc/93/52/74/468935274.db2.gz RNLUTLCZFYWDAI-GFCCVEGCSA-N 1 2 345.399 2.145 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(c3cc[nH+]c(C(=O)[O-])c3)CC2)cc1 ZINC000593324630 468939234 /nfs/dbraw/zinc/93/92/34/468939234.db2.gz LSCNVKNOOIRFFW-UHFFFAOYSA-N 1 2 336.395 2.364 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(c3cc[nH+]c(C(=O)[O-])c3)CC2)cc1 ZINC000593324630 468939236 /nfs/dbraw/zinc/93/92/36/468939236.db2.gz LSCNVKNOOIRFFW-UHFFFAOYSA-N 1 2 336.395 2.364 20 30 EEEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000610432770 468966268 /nfs/dbraw/zinc/96/62/68/468966268.db2.gz QQCNFPRBPQFIGM-IWUURBKTSA-N 1 2 346.475 2.405 20 30 EEEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000610432770 468966272 /nfs/dbraw/zinc/96/62/72/468966272.db2.gz QQCNFPRBPQFIGM-IWUURBKTSA-N 1 2 346.475 2.405 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000562511995 468972483 /nfs/dbraw/zinc/97/24/83/468972483.db2.gz GQTHEKXIBCQGCE-PMPSAXMXSA-N 1 2 329.375 2.356 20 30 EEEDLO COCC[N@H+](CCC#N)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000610511741 468990785 /nfs/dbraw/zinc/99/07/85/468990785.db2.gz RJTGTERIRBPYDF-SFHVURJKSA-N 1 2 329.444 2.432 20 30 EEEDLO COCC[N@@H+](CCC#N)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000610511741 468990789 /nfs/dbraw/zinc/99/07/89/468990789.db2.gz RJTGTERIRBPYDF-SFHVURJKSA-N 1 2 329.444 2.432 20 30 EEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000602704516 469022408 /nfs/dbraw/zinc/02/24/08/469022408.db2.gz GUXDKTPYSKKWGO-NSHDSACASA-N 1 2 327.837 2.113 20 30 EEEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000602704516 469022409 /nfs/dbraw/zinc/02/24/09/469022409.db2.gz GUXDKTPYSKKWGO-NSHDSACASA-N 1 2 327.837 2.113 20 30 EEEDLO CC[C@H](C#N)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000593571291 469040665 /nfs/dbraw/zinc/04/06/65/469040665.db2.gz REGJLTBUGGULCC-KCXAZCMYSA-N 1 2 335.835 2.378 20 30 EEEDLO CC[C@H](C#N)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000593571291 469040672 /nfs/dbraw/zinc/04/06/72/469040672.db2.gz REGJLTBUGGULCC-KCXAZCMYSA-N 1 2 335.835 2.378 20 30 EEEDLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000610861975 469093565 /nfs/dbraw/zinc/09/35/65/469093565.db2.gz KSKVJXSNZYZLOG-SFHVURJKSA-N 1 2 337.427 2.272 20 30 EEEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCN(CCC#N)CC2)c1 ZINC000602828718 469103249 /nfs/dbraw/zinc/10/32/49/469103249.db2.gz GFVUGZMANRQKDJ-UHFFFAOYSA-N 1 2 338.415 2.150 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000573657828 469178381 /nfs/dbraw/zinc/17/83/81/469178381.db2.gz VORYXBMQQUVROC-ZBFHGGJFSA-N 1 2 330.363 2.154 20 30 EEEDLO Cc1nn(C)c(N2CCN(c3[nH+]ccc4c(N)cccc43)CC2)c1C#N ZINC000596205232 469201190 /nfs/dbraw/zinc/20/11/90/469201190.db2.gz HFTJDQITIIJMSY-UHFFFAOYSA-N 1 2 347.426 2.057 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)nc1 ZINC000611430606 469247835 /nfs/dbraw/zinc/24/78/35/469247835.db2.gz MDYXXUNLDOFITN-UHFFFAOYSA-N 1 2 339.399 2.149 20 30 EEEDLO COc1ccc(Br)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000564872750 469261705 /nfs/dbraw/zinc/26/17/05/469261705.db2.gz QXLOHHMKTJUDNN-CQSZACIVSA-N 1 2 340.221 2.031 20 30 EEEDLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H](CCC#N)c2ccccc2)[C@@H](C)CO1 ZINC000596503564 469285724 /nfs/dbraw/zinc/28/57/24/469285724.db2.gz NAPCCZUKVAILQN-JZXOWHBKSA-N 1 2 344.459 2.440 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](CCC#N)c2ccccc2)[C@@H](C)CO1 ZINC000596503564 469285729 /nfs/dbraw/zinc/28/57/29/469285729.db2.gz NAPCCZUKVAILQN-JZXOWHBKSA-N 1 2 344.459 2.440 20 30 EEEDLO CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000599689845 469339418 /nfs/dbraw/zinc/33/94/18/469339418.db2.gz KOOGYZQOYMSFGP-CQSZACIVSA-N 1 2 348.472 2.166 20 30 EEEDLO CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000599689845 469339419 /nfs/dbraw/zinc/33/94/19/469339419.db2.gz KOOGYZQOYMSFGP-CQSZACIVSA-N 1 2 348.472 2.166 20 30 EEEDLO Cc1cccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@](C)(C#N)C3)CC2)c1 ZINC000612158027 469407679 /nfs/dbraw/zinc/40/76/79/469407679.db2.gz GXPKCFIQVBVIFI-FQEVSTJZSA-N 1 2 340.471 2.269 20 30 EEEDLO Cc1cccc(N2CCN(C(=O)C[N@H+]3CCC[C@@](C)(C#N)C3)CC2)c1 ZINC000612158027 469407681 /nfs/dbraw/zinc/40/76/81/469407681.db2.gz GXPKCFIQVBVIFI-FQEVSTJZSA-N 1 2 340.471 2.269 20 30 EEEDLO COc1cccc(OC)c1OC[C@@H](O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612164777 469408997 /nfs/dbraw/zinc/40/89/97/469408997.db2.gz IXYOCEBERIXWHX-KBXCAEBGSA-N 1 2 334.416 2.069 20 30 EEEDLO COc1cccc(OC)c1OC[C@@H](O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612164777 469409000 /nfs/dbraw/zinc/40/90/00/469409000.db2.gz IXYOCEBERIXWHX-KBXCAEBGSA-N 1 2 334.416 2.069 20 30 EEEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3cccc(CC#N)c3)cn2c1 ZINC000619478224 469620513 /nfs/dbraw/zinc/62/05/13/469620513.db2.gz RBHMCBBVDFNDJW-UHFFFAOYSA-N 1 2 340.408 2.187 20 30 EEEDLO CC(C)CNC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647535 469658112 /nfs/dbraw/zinc/65/81/12/469658112.db2.gz XJSZSEMSISEPSN-MAUKXSAKSA-N 1 2 346.450 2.169 20 30 EEEDLO C=CCCOCC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000620189654 469785567 /nfs/dbraw/zinc/78/55/67/469785567.db2.gz WGQZOTPCIBUCLE-SFHVURJKSA-N 1 2 332.444 2.077 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCO[C@H](c2ccccc2)C1)C1CC1 ZINC000609234229 469904358 /nfs/dbraw/zinc/90/43/58/469904358.db2.gz NYXJFWXGTZNYLY-HKUYNNGSSA-N 1 2 327.428 2.258 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCO[C@H](c2ccccc2)C1)C1CC1 ZINC000609234229 469904362 /nfs/dbraw/zinc/90/43/62/469904362.db2.gz NYXJFWXGTZNYLY-HKUYNNGSSA-N 1 2 327.428 2.258 20 30 EEEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)CCOCC1 ZINC000633899407 470627270 /nfs/dbraw/zinc/62/72/70/470627270.db2.gz XCMUEVVYBMZHES-UHFFFAOYSA-N 1 2 344.455 2.409 20 30 EEEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)NCC#CCO)c1 ZINC000639829158 470690105 /nfs/dbraw/zinc/69/01/05/470690105.db2.gz UFMMVSFMAOGRJZ-UHFFFAOYSA-N 1 2 326.400 2.467 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000649830745 470712333 /nfs/dbraw/zinc/71/23/33/470712333.db2.gz JKYXXUQWJLZVNL-IBGZPJMESA-N 1 2 329.488 2.270 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000649830745 470712337 /nfs/dbraw/zinc/71/23/37/470712337.db2.gz JKYXXUQWJLZVNL-IBGZPJMESA-N 1 2 329.488 2.270 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)nn1 ZINC000640907731 471112188 /nfs/dbraw/zinc/11/21/88/471112188.db2.gz 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C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](CC)CC(=O)N(C)C ZINC000677884080 486514178 /nfs/dbraw/zinc/51/41/78/486514178.db2.gz JAEJSQLRAWYABF-CQSZACIVSA-N 1 2 337.489 2.061 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](CC)CC(=O)N(C)C ZINC000677884080 486514181 /nfs/dbraw/zinc/51/41/81/486514181.db2.gz JAEJSQLRAWYABF-CQSZACIVSA-N 1 2 337.489 2.061 20 30 EEEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)c1 ZINC000181282480 533769416 /nfs/dbraw/zinc/76/94/16/533769416.db2.gz YJZJMCMSVUJMBI-AWEZNQCLSA-N 1 2 338.411 2.414 20 30 EEEDLO CC#CCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000365700891 526376169 /nfs/dbraw/zinc/37/61/69/526376169.db2.gz AFMFDPAUXJFCRV-CVEARBPZSA-N 1 2 335.835 2.034 20 30 EEEDLO CC#CCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000365700891 526376177 /nfs/dbraw/zinc/37/61/77/526376177.db2.gz AFMFDPAUXJFCRV-CVEARBPZSA-N 1 2 335.835 2.034 20 30 EEEDLO C=CC[C@]1(C(=O)NCc2c[nH+]cn2C)CCCN1C(=O)OC(C)(C)C ZINC000291767630 527228120 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C=CCN1CC(=O)N(C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1=O ZINC000761505373 577685042 /nfs/dbraw/zinc/68/50/42/577685042.db2.gz UOUBQNCRBFFNSP-UHFFFAOYSA-N 1 2 342.443 2.172 20 30 EEEDLO CCCCCCCC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000761708875 577687981 /nfs/dbraw/zinc/68/79/81/577687981.db2.gz VWOUCBQCTKVVER-KRWDZBQOSA-N 1 2 326.481 2.297 20 30 EEEDLO O=C(NC1CC1)c1ccc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000761830712 577689649 /nfs/dbraw/zinc/68/96/49/577689649.db2.gz JAYSRUDGBOHOSV-UHFFFAOYSA-N 1 2 347.382 2.001 20 30 EEEDLO CCOC(=O)[C@H]1CCC(N=Nc2ccc(-n3cc[nH+]c3)nn2)[C@@H](C)C1 ZINC000761858281 577690261 /nfs/dbraw/zinc/69/02/61/577690261.db2.gz RUAWXCVWDZWCNC-STQMWFEESA-N 1 2 342.403 2.430 20 30 EEEDLO CC1(C)C[N@H+](CCNC(=O)c2ccccc2SCC#N)CCO1 ZINC000750759729 577742503 /nfs/dbraw/zinc/74/25/03/577742503.db2.gz ULWGSYUOPMTZFS-UHFFFAOYSA-N 1 2 333.457 2.143 20 30 EEEDLO CC1(C)C[N@@H+](CCNC(=O)c2ccccc2SCC#N)CCO1 ZINC000750759729 577742504 /nfs/dbraw/zinc/74/25/04/577742504.db2.gz 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678668336 /nfs/dbraw/zinc/66/83/36/678668336.db2.gz BLGLOPBQILPDQY-HNAYVOBHSA-N 1 2 348.418 2.082 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)c3ccncc3)C2)C1 ZINC000972435744 678738212 /nfs/dbraw/zinc/73/82/12/678738212.db2.gz QIFWVLKGVZLNCM-VQIMIIECSA-N 1 2 329.444 2.065 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)c3ccncc3)C2)C1 ZINC000972435744 678738214 /nfs/dbraw/zinc/73/82/14/678738214.db2.gz QIFWVLKGVZLNCM-VQIMIIECSA-N 1 2 329.444 2.065 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cc(C)ccc3OC)C2)C1 ZINC000972456249 678783123 /nfs/dbraw/zinc/78/31/23/678783123.db2.gz VDNOYCCEDCITIA-HXUWFJFHSA-N 1 2 344.455 2.035 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cc(C)ccc3OC)C2)C1 ZINC000972456249 678783124 /nfs/dbraw/zinc/78/31/24/678783124.db2.gz VDNOYCCEDCITIA-HXUWFJFHSA-N 1 2 344.455 2.035 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3ccc(C)cc3C)C2)C1 ZINC000972488625 678886042 /nfs/dbraw/zinc/88/60/42/678886042.db2.gz CXQSCAGJOXTNOT-OAQYLSRUSA-N 1 2 340.467 2.173 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3ccc(C)cc3C)C2)C1 ZINC000972488625 678886045 /nfs/dbraw/zinc/88/60/45/678886045.db2.gz CXQSCAGJOXTNOT-OAQYLSRUSA-N 1 2 340.467 2.173 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2cscn2)C1 ZINC000972490149 678897172 /nfs/dbraw/zinc/89/71/72/678897172.db2.gz VRTQCLKKNJKJBW-LBPRGKRZSA-N 1 2 344.278 2.127 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)Cc2cscn2)C1 ZINC000972490149 678897177 /nfs/dbraw/zinc/89/71/77/678897177.db2.gz VRTQCLKKNJKJBW-LBPRGKRZSA-N 1 2 344.278 2.127 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc4c[nH]nc43)C2)C1 ZINC000972493386 678910760 /nfs/dbraw/zinc/91/07/60/678910760.db2.gz XXQKTVIMEGPTID-LJQANCHMSA-N 1 2 340.427 2.056 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc4c[nH]nc43)C2)C1 ZINC000972493386 678910762 /nfs/dbraw/zinc/91/07/62/678910762.db2.gz XXQKTVIMEGPTID-LJQANCHMSA-N 1 2 340.427 2.056 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](c3ccncc3)C(C)C)C2)C1 ZINC000972518867 679143375 /nfs/dbraw/zinc/14/33/75/679143375.db2.gz PMXKIBMLVQRVJM-QUCCMNQESA-N 1 2 343.471 2.311 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](c3ccncc3)C(C)C)C2)C1 ZINC000972518867 679143377 /nfs/dbraw/zinc/14/33/77/679143377.db2.gz PMXKIBMLVQRVJM-QUCCMNQESA-N 1 2 343.471 2.311 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nccc4ccccc43)C2)C1 ZINC000972525169 679162622 /nfs/dbraw/zinc/16/26/22/679162622.db2.gz ZNZATJFVIMMIIT-FQEVSTJZSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nccc4ccccc43)C2)C1 ZINC000972525169 679162625 /nfs/dbraw/zinc/16/26/25/679162625.db2.gz ZNZATJFVIMMIIT-FQEVSTJZSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(F)c(COC)c3)C2)C1 ZINC000972542823 679233813 /nfs/dbraw/zinc/23/38/13/679233813.db2.gz DIVILPHZAWZIHS-IBGZPJMESA-N 1 2 348.418 2.075 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(F)c(COC)c3)C2)C1 ZINC000972542823 679233816 /nfs/dbraw/zinc/23/38/16/679233816.db2.gz DIVILPHZAWZIHS-IBGZPJMESA-N 1 2 348.418 2.075 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(CC)cc3)C2)C1 ZINC000972573963 679333965 /nfs/dbraw/zinc/33/39/65/679333965.db2.gz UZWKLZIUKLHOBH-HXUWFJFHSA-N 1 2 328.456 2.281 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(CC)cc3)C2)C1 ZINC000972573963 679333966 /nfs/dbraw/zinc/33/39/66/679333966.db2.gz UZWKLZIUKLHOBH-HXUWFJFHSA-N 1 2 328.456 2.281 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](F)c3ccccc3)C2)C1 ZINC000972577316 679339639 /nfs/dbraw/zinc/33/96/39/679339639.db2.gz KADBXBHAQOWQSR-HKUYNNGSSA-N 1 2 330.403 2.024 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](F)c3ccccc3)C2)C1 ZINC000972577316 679339641 /nfs/dbraw/zinc/33/96/41/679339641.db2.gz KADBXBHAQOWQSR-HKUYNNGSSA-N 1 2 330.403 2.024 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3noc4c3CCCCC4)C2)C1 ZINC000972578823 679342090 /nfs/dbraw/zinc/34/20/90/679342090.db2.gz UZDAMAVOADSNQA-LJQANCHMSA-N 1 2 345.443 2.046 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3noc4c3CCCCC4)C2)C1 ZINC000972578823 679342092 /nfs/dbraw/zinc/34/20/92/679342092.db2.gz UZDAMAVOADSNQA-LJQANCHMSA-N 1 2 345.443 2.046 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3ccccc3)C2)C1 ZINC000972641276 679484071 /nfs/dbraw/zinc/48/40/71/679484071.db2.gz SAFNZLNFSKKQIP-FXAWDEMLSA-N 1 2 326.440 2.117 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3ccccc3)C2)C1 ZINC000972641276 679484072 /nfs/dbraw/zinc/48/40/72/679484072.db2.gz SAFNZLNFSKKQIP-FXAWDEMLSA-N 1 2 326.440 2.117 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C=C)c3ccccc3)C2)C1 ZINC000972685715 679600268 /nfs/dbraw/zinc/60/02/68/679600268.db2.gz SHTIYNWMOFYMOH-ICSRJNTNSA-N 1 2 326.440 2.446 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C=C)c3ccccc3)C2)C1 ZINC000972685715 679600269 /nfs/dbraw/zinc/60/02/69/679600269.db2.gz SHTIYNWMOFYMOH-ICSRJNTNSA-N 1 2 326.440 2.446 20 30 EEEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1cn[nH]c1 ZINC000972834757 679813800 /nfs/dbraw/zinc/81/38/00/679813800.db2.gz LJOYFKPKALJWCC-MRXNPFEDSA-N 1 2 341.390 2.061 20 30 EEEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1cn[nH]c1 ZINC000972834757 679813801 /nfs/dbraw/zinc/81/38/01/679813801.db2.gz LJOYFKPKALJWCC-MRXNPFEDSA-N 1 2 341.390 2.061 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnc2n[nH]cc2c1 ZINC001024503698 679992989 /nfs/dbraw/zinc/99/29/89/679992989.db2.gz BWMDYNFNYWZWSV-CQSZACIVSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnc2n[nH]cc2c1 ZINC001024503698 679992986 /nfs/dbraw/zinc/99/29/86/679992986.db2.gz BWMDYNFNYWZWSV-CQSZACIVSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001024514491 680015603 /nfs/dbraw/zinc/01/56/03/680015603.db2.gz ZRIRLQPVWJCHGQ-CABCVRRESA-N 1 2 336.867 2.169 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001024514491 680015609 /nfs/dbraw/zinc/01/56/09/680015609.db2.gz ZRIRLQPVWJCHGQ-CABCVRRESA-N 1 2 336.867 2.169 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnn(CCF)c2)C(C)(C)C1 ZINC000974746718 685371293 /nfs/dbraw/zinc/37/12/93/685371293.db2.gz PSOITYCMCWWIEQ-ZDUSSCGKSA-N 1 2 328.819 2.045 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnn(CCF)c2)C(C)(C)C1 ZINC000974746718 685371294 /nfs/dbraw/zinc/37/12/94/685371294.db2.gz PSOITYCMCWWIEQ-ZDUSSCGKSA-N 1 2 328.819 2.045 20 30 EEEDLO Cc1nonc1C(=O)NC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC001024824470 681474295 /nfs/dbraw/zinc/47/42/95/681474295.db2.gz QERQHDHCWMKSEZ-QGZVFWFLSA-N 1 2 338.411 2.014 20 30 EEEDLO Cc1nonc1C(=O)NC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC001024824470 681474297 /nfs/dbraw/zinc/47/42/97/681474297.db2.gz QERQHDHCWMKSEZ-QGZVFWFLSA-N 1 2 338.411 2.014 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C/C(Cl)=C\Cl)C2)c1 ZINC001028469619 681510133 /nfs/dbraw/zinc/51/01/33/681510133.db2.gz BQJNRHOKCKDYJT-CDLVRLLZSA-N 1 2 327.215 2.257 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+](C/C(Cl)=C\Cl)C2)c1 ZINC001028469619 681510136 /nfs/dbraw/zinc/51/01/36/681510136.db2.gz BQJNRHOKCKDYJT-CDLVRLLZSA-N 1 2 327.215 2.257 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC001028809623 682268678 /nfs/dbraw/zinc/26/86/78/682268678.db2.gz LOUKBYMBTMEIFD-ZBPUCYDFSA-N 1 2 333.259 2.335 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC001028809623 682268680 /nfs/dbraw/zinc/26/86/80/682268680.db2.gz LOUKBYMBTMEIFD-ZBPUCYDFSA-N 1 2 333.259 2.335 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+]1Cc1nncn1C ZINC001025258116 682336356 /nfs/dbraw/zinc/33/63/56/682336356.db2.gz IPHFXHLXPWGCRX-HZPDHXFCSA-N 1 2 345.491 2.373 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1nncn1C ZINC001025258116 682336359 /nfs/dbraw/zinc/33/63/59/682336359.db2.gz IPHFXHLXPWGCRX-HZPDHXFCSA-N 1 2 345.491 2.373 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C/C(Cl)=C\Cl)C2)cn1 ZINC001028941181 682521315 /nfs/dbraw/zinc/52/13/15/682521315.db2.gz URFLOKGBPFAMQY-CWZJEYLYSA-N 1 2 338.238 2.434 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C/C(Cl)=C\Cl)C2)cn1 ZINC001028941181 682521316 /nfs/dbraw/zinc/52/13/16/682521316.db2.gz URFLOKGBPFAMQY-CWZJEYLYSA-N 1 2 338.238 2.434 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H](F)C1 ZINC001025778547 683269364 /nfs/dbraw/zinc/26/93/64/683269364.db2.gz UUWLRJBXMUOKNJ-MEBFFEOJSA-N 1 2 345.256 2.470 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H](F)C1 ZINC001025778547 683269369 /nfs/dbraw/zinc/26/93/69/683269369.db2.gz UUWLRJBXMUOKNJ-MEBFFEOJSA-N 1 2 345.256 2.470 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](NC(=O)C(C)C)[C@H]2C)c1 ZINC000993068915 683831461 /nfs/dbraw/zinc/83/14/61/683831461.db2.gz JSVLLROFROJNTJ-CRAIPNDOSA-N 1 2 341.455 2.232 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](NC(=O)C(C)C)[C@H]2C)c1 ZINC000993068915 683831467 /nfs/dbraw/zinc/83/14/67/683831467.db2.gz JSVLLROFROJNTJ-CRAIPNDOSA-N 1 2 341.455 2.232 20 30 EEEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC1CCN(CC#N)CC1 ZINC000329023763 683916493 /nfs/dbraw/zinc/91/64/93/683916493.db2.gz NBMPSYQIFNBVPS-NVXWUHKLSA-N 1 2 341.459 2.346 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)CC2(C)C)co1 ZINC000974491460 684981483 /nfs/dbraw/zinc/98/14/83/684981483.db2.gz PYFAPHWHIANPTN-GOSISDBHSA-N 1 2 337.423 2.475 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC2(C)C)co1 ZINC000974491460 684981486 /nfs/dbraw/zinc/98/14/86/684981486.db2.gz PYFAPHWHIANPTN-GOSISDBHSA-N 1 2 337.423 2.475 20 30 EEEDLO N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)s1 ZINC001026855387 685190571 /nfs/dbraw/zinc/19/05/71/685190571.db2.gz GIOCFXHJJGVQMX-CABZTGNLSA-N 1 2 349.353 2.458 20 30 EEEDLO N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)s1 ZINC001026855387 685190574 /nfs/dbraw/zinc/19/05/74/685190574.db2.gz GIOCFXHJJGVQMX-CABZTGNLSA-N 1 2 349.353 2.458 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3cn(CC)nn3)[C@H](C)C2)C1 ZINC000947701626 685701030 /nfs/dbraw/zinc/70/10/30/685701030.db2.gz DNBUZJFTTSZPOT-CABCVRRESA-N 1 2 331.464 2.123 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cn(CC)nn3)[C@H](C)C2)C1 ZINC000947701626 685701032 /nfs/dbraw/zinc/70/10/32/685701032.db2.gz DNBUZJFTTSZPOT-CABCVRRESA-N 1 2 331.464 2.123 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)s2)CC1(C)C ZINC000975062435 686091110 /nfs/dbraw/zinc/09/11/10/686091110.db2.gz HSRWGQZYQSJSHD-QLFBSQMISA-N 1 2 349.500 2.369 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ncc(C)s2)CC1(C)C ZINC000975062435 686091111 /nfs/dbraw/zinc/09/11/11/686091111.db2.gz HSRWGQZYQSJSHD-QLFBSQMISA-N 1 2 349.500 2.369 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C(C)(C)C1 ZINC000975100803 686114779 /nfs/dbraw/zinc/11/47/79/686114779.db2.gz HQYHZTKXVVQQNH-CQSZACIVSA-N 1 2 348.834 2.461 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C(C)(C)C1 ZINC000975100803 686114781 /nfs/dbraw/zinc/11/47/81/686114781.db2.gz HQYHZTKXVVQQNH-CQSZACIVSA-N 1 2 348.834 2.461 20 30 EEEDLO C[C@@H](c1csnn1)[N@H+](C)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000985380805 686450443 /nfs/dbraw/zinc/45/04/43/686450443.db2.gz PAKYBFVHOBPWRV-NSHDSACASA-N 1 2 344.444 2.035 20 30 EEEDLO C[C@@H](c1csnn1)[N@@H+](C)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000985380805 686450445 /nfs/dbraw/zinc/45/04/45/686450445.db2.gz PAKYBFVHOBPWRV-NSHDSACASA-N 1 2 344.444 2.035 20 30 EEEDLO Cc1nnsc1C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001006697969 687301590 /nfs/dbraw/zinc/30/15/90/687301590.db2.gz JLUHUOZMBVLMLT-OAHLLOKOSA-N 1 2 341.440 2.113 20 30 EEEDLO Cc1nnsc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001006697969 687301592 /nfs/dbraw/zinc/30/15/92/687301592.db2.gz JLUHUOZMBVLMLT-OAHLLOKOSA-N 1 2 341.440 2.113 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001059700328 688313964 /nfs/dbraw/zinc/31/39/64/688313964.db2.gz OSLYXLGOKDOGHM-HNNXBMFYSA-N 1 2 344.459 2.075 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC(C[N@H+](C)Cc2nnc(C3CC3)s2)CC1 ZINC001029946295 688656463 /nfs/dbraw/zinc/65/64/63/688656463.db2.gz KQPFWLZBQLICNL-LBPRGKRZSA-N 1 2 347.488 2.246 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC(C[N@@H+](C)Cc2nnc(C3CC3)s2)CC1 ZINC001029946295 688656466 /nfs/dbraw/zinc/65/64/66/688656466.db2.gz KQPFWLZBQLICNL-LBPRGKRZSA-N 1 2 347.488 2.246 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nc(CC)no3)[C@@H]2C)CC1 ZINC000986857586 688980291 /nfs/dbraw/zinc/98/02/91/688980291.db2.gz VLYJHWBCWUXILZ-DZGCQCFKSA-N 1 2 332.448 2.457 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059745632 688985822 /nfs/dbraw/zinc/98/58/22/688985822.db2.gz DOWVPVHDQJECLA-OAHLLOKOSA-N 1 2 332.448 2.053 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000987093852 689340336 /nfs/dbraw/zinc/34/03/36/689340336.db2.gz ADZROOHOXBTXDV-HNNXBMFYSA-N 1 2 346.475 2.062 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000987093853 689340750 /nfs/dbraw/zinc/34/07/50/689340750.db2.gz ADZROOHOXBTXDV-OAHLLOKOSA-N 1 2 346.475 2.062 20 30 EEEDLO Cc1nnsc1C(=O)NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC001027746854 694287707 /nfs/dbraw/zinc/28/77/07/694287707.db2.gz FEOSNGMACBPZTA-INIZCTEOSA-N 1 2 340.452 2.092 20 30 EEEDLO Cc1nnsc1C(=O)NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC001027746854 694287713 /nfs/dbraw/zinc/28/77/13/694287713.db2.gz FEOSNGMACBPZTA-INIZCTEOSA-N 1 2 340.452 2.092 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)C[C@H]2CCN(C(=O)[C@H](C)C#N)C2)c(C)[nH+]1 ZINC000988282350 690459804 /nfs/dbraw/zinc/45/98/04/690459804.db2.gz CSBKCEMTEWZRGS-CZUORRHYSA-N 1 2 342.443 2.087 20 30 EEEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000347481674 694373153 /nfs/dbraw/zinc/37/31/53/694373153.db2.gz JZGSHQYOFUMTDJ-HOCLYGCPSA-N 1 2 338.411 2.465 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCn2cc(Cl)cn2)CC1 ZINC000989728841 692236298 /nfs/dbraw/zinc/23/62/98/692236298.db2.gz XTRPFSMPTWJZHL-UHFFFAOYSA-N 1 2 331.247 2.213 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCn2cc(Cl)cn2)CC1 ZINC000989728841 692236300 /nfs/dbraw/zinc/23/63/00/692236300.db2.gz XTRPFSMPTWJZHL-UHFFFAOYSA-N 1 2 331.247 2.213 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000943480810 1192303661 /nfs/dbraw/zinc/30/36/61/1192303661.db2.gz LNJAQKYSDHILIG-CQSZACIVSA-N 1 2 332.448 2.052 20 30 EEEDLO COc1ccccc1S(=O)(=O)CCCO[NH+]=C(N)c1ccccc1 ZINC000185064357 1192563949 /nfs/dbraw/zinc/56/39/49/1192563949.db2.gz ZGKICYOFNSVRLX-UHFFFAOYSA-N 1 2 348.424 2.196 20 30 EEEDLO CCn1cccc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001032189543 1192926724 /nfs/dbraw/zinc/92/67/24/1192926724.db2.gz WFSNFXSCQBEKSH-UHFFFAOYSA-N 1 2 339.414 2.360 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C ZINC001480978139 1179412535 /nfs/dbraw/zinc/41/25/35/1179412535.db2.gz QFCLUEFXILTOHW-AWEZNQCLSA-N 1 2 343.899 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C ZINC001480978139 1179412542 /nfs/dbraw/zinc/41/25/42/1179412542.db2.gz QFCLUEFXILTOHW-AWEZNQCLSA-N 1 2 343.899 2.214 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(C)nc2cc(C)nn21 ZINC001481018202 1179506476 /nfs/dbraw/zinc/50/64/76/1179506476.db2.gz XYIGTCPZXPLKAF-UHFFFAOYSA-N 1 2 335.839 2.150 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(C)nc2cc(C)nn21 ZINC001481018202 1179506480 /nfs/dbraw/zinc/50/64/80/1179506480.db2.gz XYIGTCPZXPLKAF-UHFFFAOYSA-N 1 2 335.839 2.150 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CCC)C1 ZINC001267949186 1180811050 /nfs/dbraw/zinc/81/10/50/1180811050.db2.gz CCUVZGTXRVSGKD-QGZVFWFLSA-N 1 2 343.471 2.136 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CCC)C1 ZINC001267949186 1180811060 /nfs/dbraw/zinc/81/10/60/1180811060.db2.gz CCUVZGTXRVSGKD-QGZVFWFLSA-N 1 2 343.471 2.136 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC23CCOCC3)C1 ZINC001034060995 1195714290 /nfs/dbraw/zinc/71/42/90/1195714290.db2.gz ZZOLQGCNVFDMRK-CABCVRRESA-N 1 2 326.868 2.478 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC23CCOCC3)C1 ZINC001034060995 1195714294 /nfs/dbraw/zinc/71/42/94/1195714294.db2.gz ZZOLQGCNVFDMRK-CABCVRRESA-N 1 2 326.868 2.478 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc(NC(C)=O)ccc2C)C1 ZINC001032231528 1193348023 /nfs/dbraw/zinc/34/80/23/1193348023.db2.gz OJZAGYBKSHMHLS-UHFFFAOYSA-N 1 2 335.835 2.368 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC3(C(F)(F)F)CC3)C2)C1 ZINC001755402709 1185402777 /nfs/dbraw/zinc/40/27/77/1185402777.db2.gz ZBKKRCRPGALJPL-INIZCTEOSA-N 1 2 344.377 2.046 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC3(C(F)(F)F)CC3)C2)C1 ZINC001755402709 1185402782 /nfs/dbraw/zinc/40/27/82/1185402782.db2.gz ZBKKRCRPGALJPL-INIZCTEOSA-N 1 2 344.377 2.046 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)[C@@H]4CC45CCCC5)C3)C2)cc1C#N ZINC001271897928 1186592083 /nfs/dbraw/zinc/59/20/83/1186592083.db2.gz RITFFXVFXMFQOX-KRWDZBQOSA-N 1 2 338.455 2.121 20 30 EEEDLO CCC(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001211903752 1186770879 /nfs/dbraw/zinc/77/08/79/1186770879.db2.gz PYVHNBKUFXIYLO-HZPDHXFCSA-N 1 2 335.473 2.371 20 30 EEEDLO CCC(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001211903752 1186770888 /nfs/dbraw/zinc/77/08/88/1186770888.db2.gz PYVHNBKUFXIYLO-HZPDHXFCSA-N 1 2 335.473 2.371 20 30 EEEDLO C[C@@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1cc(-c2cccs2)on1 ZINC001482587081 1187004583 /nfs/dbraw/zinc/00/45/83/1187004583.db2.gz XOLDTWRUEWTTLW-LBPRGKRZSA-N 1 2 332.429 2.453 20 30 EEEDLO C[C@@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1cc(-c2cccs2)on1 ZINC001482587081 1187004585 /nfs/dbraw/zinc/00/45/85/1187004585.db2.gz XOLDTWRUEWTTLW-LBPRGKRZSA-N 1 2 332.429 2.453 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H](n2cc(C[NH2+]Cc3ccsc3)nn2)C1 ZINC001098637287 1187136289 /nfs/dbraw/zinc/13/62/89/1187136289.db2.gz JNSQIXWXWCTZNP-MRXNPFEDSA-N 1 2 345.472 2.369 20 30 EEEDLO N#Cc1ccccc1CCC(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001272062059 1187353715 /nfs/dbraw/zinc/35/37/15/1187353715.db2.gz USTQMKBRLPESHX-UHFFFAOYSA-N 1 2 334.423 2.163 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](C)N(C)CC(F)(F)F ZINC001482624571 1187450206 /nfs/dbraw/zinc/45/02/06/1187450206.db2.gz WRMIVGPNZUPAFU-NSHDSACASA-N 1 2 329.794 2.012 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](C)N(C)CC(F)(F)F ZINC001482624571 1187450207 /nfs/dbraw/zinc/45/02/07/1187450207.db2.gz WRMIVGPNZUPAFU-NSHDSACASA-N 1 2 329.794 2.012 20 30 EEEDLO O=C(C#CC1CCCCC1)N1CCCC2(C[NH+](Cc3cn[nH]c3)C2)C1 ZINC001272149069 1187957494 /nfs/dbraw/zinc/95/74/94/1187957494.db2.gz QNVYQRRNWPBFRN-UHFFFAOYSA-N 1 2 340.471 2.418 20 30 EEEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1c[nH]c3cccc(F)c13)C2 ZINC001272854201 1193577492 /nfs/dbraw/zinc/57/74/92/1193577492.db2.gz ZISPSZNAYQQTBI-UHFFFAOYSA-N 1 2 343.402 2.296 20 30 EEEDLO C=C(C)CCC(=O)NCC[C@H](C)NC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001076798687 1189168923 /nfs/dbraw/zinc/16/89/23/1189168923.db2.gz LXLVQEDTQLQFFY-MAUKXSAKSA-N 1 2 346.475 2.052 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC001105685662 1189280748 /nfs/dbraw/zinc/28/07/48/1189280748.db2.gz FGGFYMXONMDRMW-UHFFFAOYSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCC1(C(=O)NCC[C@H](C)NC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001077310567 1189461825 /nfs/dbraw/zinc/46/18/25/1189461825.db2.gz QPOBPSYRFNEHDL-HNNXBMFYSA-N 1 2 332.448 2.031 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CC(F)(F)F)cc1C#N ZINC001483635465 1190697708 /nfs/dbraw/zinc/69/77/08/1190697708.db2.gz KEPIIQHQGHAOQB-CYBMUJFWSA-N 1 2 341.333 2.210 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CC(F)(F)F)cc1C#N ZINC001483635465 1190697709 /nfs/dbraw/zinc/69/77/09/1190697709.db2.gz KEPIIQHQGHAOQB-CYBMUJFWSA-N 1 2 341.333 2.210 20 30 EEEDLO N#Cc1cccc(CN2C[C@@]3(F)C[N@@H+](CC4CC4)C[C@@]3(F)C2=O)c1 ZINC001272484081 1190845606 /nfs/dbraw/zinc/84/56/06/1190845606.db2.gz POHBKBPRWAGEEM-ZWKOTPCHSA-N 1 2 331.366 2.043 20 30 EEEDLO N#Cc1cccc(CN2C[C@@]3(F)C[N@H+](CC4CC4)C[C@@]3(F)C2=O)c1 ZINC001272484081 1190845609 /nfs/dbraw/zinc/84/56/09/1190845609.db2.gz POHBKBPRWAGEEM-ZWKOTPCHSA-N 1 2 331.366 2.043 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001011320987 1224128598 /nfs/dbraw/zinc/12/85/98/1224128598.db2.gz YZJJEMFLYPNUHD-LJQANCHMSA-N 1 2 346.475 2.200 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001014675301 1224162208 /nfs/dbraw/zinc/16/22/08/1224162208.db2.gz XGCKHAWQQNCFDA-GFCCVEGCSA-N 1 2 331.807 2.028 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001014675301 1224162213 /nfs/dbraw/zinc/16/22/13/1224162213.db2.gz XGCKHAWQQNCFDA-GFCCVEGCSA-N 1 2 331.807 2.028 20 30 EEEDLO Cn1ncc(C2CC2)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001014676525 1224163966 /nfs/dbraw/zinc/16/39/66/1224163966.db2.gz HJIQBEFQZBFVEZ-KRWDZBQOSA-N 1 2 349.438 2.173 20 30 EEEDLO Cn1ncc(C2CC2)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001014676525 1224163970 /nfs/dbraw/zinc/16/39/70/1224163970.db2.gz HJIQBEFQZBFVEZ-KRWDZBQOSA-N 1 2 349.438 2.173 20 30 EEEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1cc3ccccc3o1)C2 ZINC001272964430 1194272530 /nfs/dbraw/zinc/27/25/30/1194272530.db2.gz HGDMZTSPTBTMNG-UHFFFAOYSA-N 1 2 326.396 2.422 20 30 EEEDLO CCc1nocc1C(=O)N(C)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033401635 1194544989 /nfs/dbraw/zinc/54/49/89/1194544989.db2.gz WIOBMYMCGGRBFY-QGZVFWFLSA-N 1 2 337.423 2.435 20 30 EEEDLO CCc1nocc1C(=O)N(C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033401635 1194544990 /nfs/dbraw/zinc/54/49/90/1194544990.db2.gz WIOBMYMCGGRBFY-QGZVFWFLSA-N 1 2 337.423 2.435 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(CCC(N)=O)cc2)C1 ZINC001033404659 1194548781 /nfs/dbraw/zinc/54/87/81/1194548781.db2.gz FFTVMUBLLWOXHL-INIZCTEOSA-N 1 2 349.862 2.003 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CCC(N)=O)cc2)C1 ZINC001033404659 1194548784 /nfs/dbraw/zinc/54/87/84/1194548784.db2.gz FFTVMUBLLWOXHL-INIZCTEOSA-N 1 2 349.862 2.003 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001014725529 1224241981 /nfs/dbraw/zinc/24/19/81/1224241981.db2.gz PWHRBPZLWMYRBO-AWEZNQCLSA-N 1 2 330.457 2.443 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001014725529 1224241986 /nfs/dbraw/zinc/24/19/86/1224241986.db2.gz PWHRBPZLWMYRBO-AWEZNQCLSA-N 1 2 330.457 2.443 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3nc(C)c(C)o3)C2)cn1 ZINC001033597947 1194929605 /nfs/dbraw/zinc/92/96/05/1194929605.db2.gz BMMLLYRDJDKUOP-KRWDZBQOSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3nc(C)c(C)o3)C2)cn1 ZINC001033597947 1194929609 /nfs/dbraw/zinc/92/96/09/1194929609.db2.gz BMMLLYRDJDKUOP-KRWDZBQOSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001033620320 1194962674 /nfs/dbraw/zinc/96/26/74/1194962674.db2.gz PKSFLCAYWNBOEU-SFHVURJKSA-N 1 2 337.423 2.240 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001033620320 1194962675 /nfs/dbraw/zinc/96/26/75/1194962675.db2.gz PKSFLCAYWNBOEU-SFHVURJKSA-N 1 2 337.423 2.240 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001014731010 1224254594 /nfs/dbraw/zinc/25/45/94/1224254594.db2.gz HGXFMLCRLPYDAI-HNNXBMFYSA-N 1 2 328.416 2.283 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001014731010 1224254602 /nfs/dbraw/zinc/25/46/02/1224254602.db2.gz HGXFMLCRLPYDAI-HNNXBMFYSA-N 1 2 328.416 2.283 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)OCCO3)C1 ZINC001033658628 1195044296 /nfs/dbraw/zinc/04/42/96/1195044296.db2.gz HTBGAGNGFLDPSC-CQSZACIVSA-N 1 2 336.819 2.357 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)OCCO3)C1 ZINC001033658628 1195044301 /nfs/dbraw/zinc/04/43/01/1195044301.db2.gz HTBGAGNGFLDPSC-CQSZACIVSA-N 1 2 336.819 2.357 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001014731856 1224256315 /nfs/dbraw/zinc/25/63/15/1224256315.db2.gz NRXWLGMZFQHPRU-INIZCTEOSA-N 1 2 328.391 2.213 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001014731856 1224256318 /nfs/dbraw/zinc/25/63/18/1224256318.db2.gz NRXWLGMZFQHPRU-INIZCTEOSA-N 1 2 328.391 2.213 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2csc3nccn23)C1 ZINC001033659776 1195045380 /nfs/dbraw/zinc/04/53/80/1195045380.db2.gz BLEXIKVHDRKHMT-GFCCVEGCSA-N 1 2 338.864 2.224 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2csc3nccn23)C1 ZINC001033659776 1195045385 /nfs/dbraw/zinc/04/53/85/1195045385.db2.gz BLEXIKVHDRKHMT-GFCCVEGCSA-N 1 2 338.864 2.224 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2c3ccccc3NC2=O)C1 ZINC001033703402 1195097488 /nfs/dbraw/zinc/09/74/88/1195097488.db2.gz ZIXWGJNGUFYWMO-DZGCQCFKSA-N 1 2 347.846 2.398 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2c3ccccc3NC2=O)C1 ZINC001033703402 1195097492 /nfs/dbraw/zinc/09/74/92/1195097492.db2.gz ZIXWGJNGUFYWMO-DZGCQCFKSA-N 1 2 347.846 2.398 20 30 EEEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1CC[NH+](Cc2cscn2)CC1 ZINC001005290716 1195102167 /nfs/dbraw/zinc/10/21/67/1195102167.db2.gz SEFBEUVCHDWJAE-UHFFFAOYSA-N 1 2 329.429 2.079 20 30 EEEDLO CN(C(=O)c1ncccc1O)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001005301251 1195150379 /nfs/dbraw/zinc/15/03/79/1195150379.db2.gz BHXQQQPQFCYRAN-UHFFFAOYSA-N 1 2 349.434 2.375 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@H+](Cc2nccs2)C1 ZINC001033795521 1195285991 /nfs/dbraw/zinc/28/59/91/1195285991.db2.gz NEEDBYZLPUREPD-CYBMUJFWSA-N 1 2 329.429 2.079 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001033795521 1195285994 /nfs/dbraw/zinc/28/59/94/1195285994.db2.gz NEEDBYZLPUREPD-CYBMUJFWSA-N 1 2 329.429 2.079 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001033801274 1195302057 /nfs/dbraw/zinc/30/20/57/1195302057.db2.gz NYPGHZHTMNNAAD-CQSZACIVSA-N 1 2 343.456 2.388 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001033801274 1195302061 /nfs/dbraw/zinc/30/20/61/1195302061.db2.gz NYPGHZHTMNNAAD-CQSZACIVSA-N 1 2 343.456 2.388 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnc3ccsc3c2)C1 ZINC001108120086 1195903435 /nfs/dbraw/zinc/90/34/35/1195903435.db2.gz WAQZYHNTPQQZCQ-SFHVURJKSA-N 1 2 343.452 2.140 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnc3ccsc3c2)C1 ZINC001108120086 1195903437 /nfs/dbraw/zinc/90/34/37/1195903437.db2.gz WAQZYHNTPQQZCQ-SFHVURJKSA-N 1 2 343.452 2.140 20 30 EEEDLO C=CCOCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001090200693 1196005228 /nfs/dbraw/zinc/00/52/28/1196005228.db2.gz QIPUZNGUTPAVMP-ZFWWWQNUSA-N 1 2 330.432 2.266 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001078962060 1196011650 /nfs/dbraw/zinc/01/16/50/1196011650.db2.gz KBTJGDCHIKNVTP-INIZCTEOSA-N 1 2 346.475 2.325 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnn3cccnc23)C1 ZINC001034337423 1196109732 /nfs/dbraw/zinc/10/97/32/1196109732.db2.gz WTRUVPATGCKVQG-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnn3cccnc23)C1 ZINC001034337423 1196109733 /nfs/dbraw/zinc/10/97/33/1196109733.db2.gz WTRUVPATGCKVQG-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cn3nccc3nc2C)C1 ZINC001034465542 1196245440 /nfs/dbraw/zinc/24/54/40/1196245440.db2.gz RAZOUEKABYASAJ-AWEZNQCLSA-N 1 2 347.850 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cn3nccc3nc2C)C1 ZINC001034465542 1196245442 /nfs/dbraw/zinc/24/54/42/1196245442.db2.gz RAZOUEKABYASAJ-AWEZNQCLSA-N 1 2 347.850 2.375 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3ncc(C)o3)C2)nc1 ZINC001034492341 1196282002 /nfs/dbraw/zinc/28/20/02/1196282002.db2.gz CDMYTDUDVYTLRJ-MRXNPFEDSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](Cc3ncc(C)o3)C2)nc1 ZINC001034492341 1196282005 /nfs/dbraw/zinc/28/20/05/1196282005.db2.gz CDMYTDUDVYTLRJ-MRXNPFEDSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+]([C@@H](C)c3ncccn3)C2)nc1 ZINC001034498702 1196290053 /nfs/dbraw/zinc/29/00/53/1196290053.db2.gz NHUNLILVKBRYFY-DOTOQJQBSA-N 1 2 349.438 2.198 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+]([C@@H](C)c3ncccn3)C2)nc1 ZINC001034498702 1196290056 /nfs/dbraw/zinc/29/00/56/1196290056.db2.gz NHUNLILVKBRYFY-DOTOQJQBSA-N 1 2 349.438 2.198 20 30 EEEDLO Cc1nc(N[C@H](C)C2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)cc[nH+]1 ZINC001061827454 1196964285 /nfs/dbraw/zinc/96/42/85/1196964285.db2.gz RRTVHTHEEHPPDX-GFCCVEGCSA-N 1 2 338.415 2.338 20 30 EEEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Cl)nc1F)CC2 ZINC001273206735 1197537078 /nfs/dbraw/zinc/53/70/78/1197537078.db2.gz XDWOZHHKPJJZKT-CYBMUJFWSA-N 1 2 335.810 2.226 20 30 EEEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3cccc(Cl)c3F)C2)OCC1=O ZINC001273290945 1197962131 /nfs/dbraw/zinc/96/21/31/1197962131.db2.gz KTRDMUHIPCLNBM-QGZVFWFLSA-N 1 2 338.810 2.468 20 30 EEEDLO C=CCN1C[C@]2(CC[N@H+](Cc3cccc(Cl)c3F)C2)OCC1=O ZINC001273290945 1197962139 /nfs/dbraw/zinc/96/21/39/1197962139.db2.gz KTRDMUHIPCLNBM-QGZVFWFLSA-N 1 2 338.810 2.468 20 30 EEEDLO C=CCN1C(=O)COCC12C[NH+](Cc1coc3ccc(F)cc13)C2 ZINC001273321299 1198117251 /nfs/dbraw/zinc/11/72/51/1198117251.db2.gz VMOFKTVTSXDEHC-UHFFFAOYSA-N 1 2 330.359 2.171 20 30 EEEDLO CCCc1ccc(C[NH+]2CC3(C2)COCC(=O)N3CCCC#N)s1 ZINC001273340732 1198240474 /nfs/dbraw/zinc/24/04/74/1198240474.db2.gz IVMPCJFGSWGRQY-UHFFFAOYSA-N 1 2 347.484 2.418 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)=C1CCCC1)C2 ZINC001109147316 1199052769 /nfs/dbraw/zinc/05/27/69/1199052769.db2.gz ZHZSLTPYNNTEBJ-OJLVUWQFSA-N 1 2 349.450 2.196 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)=C1CCCC1)C2 ZINC001109147316 1199052775 /nfs/dbraw/zinc/05/27/75/1199052775.db2.gz ZHZSLTPYNNTEBJ-OJLVUWQFSA-N 1 2 349.450 2.196 20 30 EEEDLO C=CC[C@@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1CC)c1ccncc1 ZINC000875299825 1199203160 /nfs/dbraw/zinc/20/31/60/1199203160.db2.gz QQGJHYOGZZJEMB-DLBZAZTESA-N 1 2 332.448 2.109 20 30 EEEDLO C=CC[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC)c1ccncc1 ZINC000875299825 1199203166 /nfs/dbraw/zinc/20/31/66/1199203166.db2.gz QQGJHYOGZZJEMB-DLBZAZTESA-N 1 2 332.448 2.109 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3cc(OC)no3)C2)CCC1 ZINC001132101967 1199294740 /nfs/dbraw/zinc/29/47/40/1199294740.db2.gz PYLHHXLVYOUOCJ-CABCVRRESA-N 1 2 345.443 2.346 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3cc(OC)no3)C2)CCC1 ZINC001132101967 1199294746 /nfs/dbraw/zinc/29/47/46/1199294746.db2.gz PYLHHXLVYOUOCJ-CABCVRRESA-N 1 2 345.443 2.346 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2cc(C)sc2C)CC[C@H]1C ZINC001132158186 1199372292 /nfs/dbraw/zinc/37/22/92/1199372292.db2.gz YMFFFMXXLHULIQ-IUODEOHRSA-N 1 2 349.500 2.250 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2cc(C)sc2C)CC[C@H]1C ZINC001132158186 1199372295 /nfs/dbraw/zinc/37/22/95/1199372295.db2.gz YMFFFMXXLHULIQ-IUODEOHRSA-N 1 2 349.500 2.250 20 30 EEEDLO CC(=[NH+]Nc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)c(N)c1 ZINC000814680820 1199662010 /nfs/dbraw/zinc/66/20/10/1199662010.db2.gz JVPRBCAKPFTCDS-UHFFFAOYSA-N 1 2 338.820 2.406 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114457039 1200596161 /nfs/dbraw/zinc/59/61/61/1200596161.db2.gz IVGAKWSVDBDFAB-GOEBONIOSA-N 1 2 346.475 2.324 20 30 EEEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@H](c2n[nH]c(C)n2)C1)c1ccccc1 ZINC000878710636 1200633621 /nfs/dbraw/zinc/63/36/21/1200633621.db2.gz FZRJRVFMHTVFBJ-LPHOPBHVSA-N 1 2 337.427 2.343 20 30 EEEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@H](c2n[nH]c(C)n2)C1)c1ccccc1 ZINC000878710636 1200633632 /nfs/dbraw/zinc/63/36/32/1200633632.db2.gz FZRJRVFMHTVFBJ-LPHOPBHVSA-N 1 2 337.427 2.343 20 30 EEEDLO CCc1nnc(C)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001014992391 1224624282 /nfs/dbraw/zinc/62/42/82/1224624282.db2.gz VJBJYKIPUULZIE-QGZVFWFLSA-N 1 2 349.438 2.223 20 30 EEEDLO CCc1nnc(C)cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001014992391 1224624286 /nfs/dbraw/zinc/62/42/86/1224624286.db2.gz VJBJYKIPUULZIE-QGZVFWFLSA-N 1 2 349.438 2.223 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3[nH]nc4c3CCCC4)C2)cc1 ZINC001015072983 1224711315 /nfs/dbraw/zinc/71/13/15/1224711315.db2.gz IKIWLMAXWLEXQH-MRXNPFEDSA-N 1 2 349.438 2.164 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3[nH]nc4c3CCCC4)C2)cc1 ZINC001015072983 1224711318 /nfs/dbraw/zinc/71/13/18/1224711318.db2.gz 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COCCOCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001275005523 1205230747 /nfs/dbraw/zinc/23/07/47/1205230747.db2.gz FAKSVVYKXYSUJD-ZBFHGGJFSA-N 1 2 349.862 2.338 20 30 EEEDLO CC(C)NC(=O)N1CCC12C[NH+](Cc1c[nH]c3c1cccc3C#N)C2 ZINC001275368579 1205323179 /nfs/dbraw/zinc/32/31/79/1205323179.db2.gz WJOOWMDWIMAWJC-UHFFFAOYSA-N 1 2 337.427 2.418 20 30 EEEDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(F)cc1C#N)C2 ZINC001275424649 1205354518 /nfs/dbraw/zinc/35/45/18/1205354518.db2.gz ANNKMLWKFYFXOV-GUYCJALGSA-N 1 2 330.407 2.321 20 30 EEEDLO CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(F)cc1C#N)C2 ZINC001275424649 1205354520 /nfs/dbraw/zinc/35/45/20/1205354520.db2.gz ANNKMLWKFYFXOV-GUYCJALGSA-N 1 2 330.407 2.321 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925582851 1206131884 /nfs/dbraw/zinc/13/18/84/1206131884.db2.gz HYGRKSJYIXOIDJ-OAHLLOKOSA-N 1 2 346.431 2.189 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110917067 1206234444 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C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC000960504452 1216636456 /nfs/dbraw/zinc/63/64/56/1216636456.db2.gz VCFGQYUGQQWDHW-KGLIPLIRSA-N 1 2 330.432 2.136 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC000960504452 1216636458 /nfs/dbraw/zinc/63/64/58/1216636458.db2.gz VCFGQYUGQQWDHW-KGLIPLIRSA-N 1 2 330.432 2.136 20 30 EEEDLO C[N@@H+](Cc1cscn1)C[C@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 ZINC000960540644 1216670495 /nfs/dbraw/zinc/67/04/95/1216670495.db2.gz OZCHDGSMMIFGFE-CQSZACIVSA-N 1 2 329.429 2.079 20 30 EEEDLO C[N@H+](Cc1cscn1)C[C@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 ZINC000960540644 1216670498 /nfs/dbraw/zinc/67/04/98/1216670498.db2.gz OZCHDGSMMIFGFE-CQSZACIVSA-N 1 2 329.429 2.079 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccccc1 ZINC000960631546 1216752061 /nfs/dbraw/zinc/75/20/61/1216752061.db2.gz UAIVSIPIDNHSNT-FOLVSLTJSA-N 1 2 335.245 2.184 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccccc1 ZINC000960631546 1216752064 /nfs/dbraw/zinc/75/20/64/1216752064.db2.gz UAIVSIPIDNHSNT-FOLVSLTJSA-N 1 2 335.245 2.184 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nccn1C ZINC000960666578 1216776343 /nfs/dbraw/zinc/77/63/43/1216776343.db2.gz CLNJDIGQVXBMFV-INIZCTEOSA-N 1 2 341.459 2.144 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nccn1C ZINC000960666578 1216776346 /nfs/dbraw/zinc/77/63/46/1216776346.db2.gz CLNJDIGQVXBMFV-INIZCTEOSA-N 1 2 341.459 2.144 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]12C[C@H]1CCC2 ZINC000961289242 1217129956 /nfs/dbraw/zinc/12/99/56/1217129956.db2.gz UFLCGWUSIGICMK-DGMCESFYSA-N 1 2 325.250 2.132 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]12C[C@H]1CCC2 ZINC000961289242 1217129958 /nfs/dbraw/zinc/12/99/58/1217129958.db2.gz UFLCGWUSIGICMK-DGMCESFYSA-N 1 2 325.250 2.132 20 30 EEEDLO CC(C)(C(=O)N1CCC([C@H]2CCCN(CC#N)C2)CC1)c1c[nH+]c[nH]1 ZINC000961430238 1217186975 /nfs/dbraw/zinc/18/69/75/1217186975.db2.gz BBSGTVHNIRGUQU-INIZCTEOSA-N 1 2 343.475 2.161 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4nccc(C)n4)C[C@H]32)CC1 ZINC000961678763 1217271495 /nfs/dbraw/zinc/27/14/95/1217271495.db2.gz UDMDDKXKVWNLQN-VQFNDLOPSA-N 1 2 326.444 2.078 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4nccc(C)n4)C[C@H]32)CC1 ZINC000961678763 1217271499 /nfs/dbraw/zinc/27/14/99/1217271499.db2.gz UDMDDKXKVWNLQN-VQFNDLOPSA-N 1 2 326.444 2.078 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC000963526978 1217844770 /nfs/dbraw/zinc/84/47/70/1217844770.db2.gz MSAGSBRFFNZIED-QMTMVMCOSA-N 1 2 344.459 2.146 20 30 EEEDLO C[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1NC(=O)c1ccon1 ZINC000965292095 1219009966 /nfs/dbraw/zinc/00/99/66/1219009966.db2.gz KJVYFJNXJHWLJB-KDOFPFPSSA-N 1 2 341.386 2.306 20 30 EEEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1NC(=O)c1ccon1 ZINC000965292095 1219009970 /nfs/dbraw/zinc/00/99/70/1219009970.db2.gz KJVYFJNXJHWLJB-KDOFPFPSSA-N 1 2 341.386 2.306 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c(C)o1 ZINC000965850353 1219289421 /nfs/dbraw/zinc/28/94/21/1219289421.db2.gz BZABMAYMRANSJU-BDJLRTHQSA-N 1 2 341.415 2.132 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c(C)o1 ZINC000965850353 1219289426 /nfs/dbraw/zinc/28/94/26/1219289426.db2.gz BZABMAYMRANSJU-BDJLRTHQSA-N 1 2 341.415 2.132 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2=CCOCC2)C1 ZINC000965934897 1219374578 /nfs/dbraw/zinc/37/45/78/1219374578.db2.gz ASPCHGVIIMJUNC-RISCZKNCSA-N 1 2 343.265 2.068 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2=CCOCC2)C1 ZINC000965934897 1219374582 /nfs/dbraw/zinc/37/45/82/1219374582.db2.gz ASPCHGVIIMJUNC-RISCZKNCSA-N 1 2 343.265 2.068 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@H]2C)co1 ZINC000965940280 1219381410 /nfs/dbraw/zinc/38/14/10/1219381410.db2.gz DZOYYQBGDOLZIB-CRAIPNDOSA-N 1 2 337.423 2.475 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)CC[C@H]2C)co1 ZINC000965940280 1219381414 /nfs/dbraw/zinc/38/14/14/1219381414.db2.gz DZOYYQBGDOLZIB-CRAIPNDOSA-N 1 2 337.423 2.475 20 30 EEEDLO CC(C)n1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)cn1 ZINC001015980208 1225917555 /nfs/dbraw/zinc/91/75/55/1225917555.db2.gz BOZNHCCYCXBDHO-IBGZPJMESA-N 1 2 336.439 2.320 20 30 EEEDLO CC(C)n1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cn1 ZINC001015980208 1225917557 /nfs/dbraw/zinc/91/75/57/1225917557.db2.gz BOZNHCCYCXBDHO-IBGZPJMESA-N 1 2 336.439 2.320 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cncc3ncn(C)c32)C1 ZINC000966875016 1220085929 /nfs/dbraw/zinc/08/59/29/1220085929.db2.gz NJXRCXMRCDZZBD-IAQYHMDHSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cncc3ncn(C)c32)C1 ZINC000966875016 1220085935 /nfs/dbraw/zinc/08/59/35/1220085935.db2.gz NJXRCXMRCDZZBD-IAQYHMDHSA-N 1 2 347.850 2.161 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc4ccccc4o3)C2)nc1 ZINC001016024828 1225970516 /nfs/dbraw/zinc/97/05/16/1225970516.db2.gz SAASRAYGSNBXKP-HNNXBMFYSA-N 1 2 346.390 2.208 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc4ccccc4o3)C2)nc1 ZINC001016024828 1225970523 /nfs/dbraw/zinc/97/05/23/1225970523.db2.gz SAASRAYGSNBXKP-HNNXBMFYSA-N 1 2 346.390 2.208 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H](N(C)C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000967578889 1220644836 /nfs/dbraw/zinc/64/48/36/1220644836.db2.gz APVKUIUHUKIGMD-INIZCTEOSA-N 1 2 344.459 2.079 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cccc(NC(C)=O)c2)C1 ZINC001016048707 1226002079 /nfs/dbraw/zinc/00/20/79/1226002079.db2.gz FYIMMAFOFLWFEI-MRXNPFEDSA-N 1 2 335.835 2.131 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(NC(C)=O)c2)C1 ZINC001016048707 1226002087 /nfs/dbraw/zinc/00/20/87/1226002087.db2.gz FYIMMAFOFLWFEI-MRXNPFEDSA-N 1 2 335.835 2.131 20 30 EEEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc(-c3ccoc3)s2)C1 ZINC000968386682 1221263950 /nfs/dbraw/zinc/26/39/50/1221263950.db2.gz NXKCJIYUOJRKQG-TZMCWYRMSA-N 1 2 329.425 2.477 20 30 EEEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc(-c3ccoc3)s2)C1 ZINC000968386682 1221263955 /nfs/dbraw/zinc/26/39/55/1221263955.db2.gz NXKCJIYUOJRKQG-TZMCWYRMSA-N 1 2 329.425 2.477 20 30 EEEDLO CC(C)c1cnc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC000968410622 1221284130 /nfs/dbraw/zinc/28/41/30/1221284130.db2.gz KOLSXLDUVJDRNB-CYBMUJFWSA-N 1 2 327.388 2.002 20 30 EEEDLO C[C@H](CCCNc1ncccc1C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001114917233 1221349702 /nfs/dbraw/zinc/34/97/02/1221349702.db2.gz ZDDQPSPKNXMLCS-CYBMUJFWSA-N 1 2 326.404 2.006 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC000968653055 1221465250 /nfs/dbraw/zinc/46/52/50/1221465250.db2.gz YKOLREYUEILYCK-ZUZCIYMTSA-N 1 2 347.850 2.459 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC000968653055 1221465253 /nfs/dbraw/zinc/46/52/53/1221465253.db2.gz YKOLREYUEILYCK-ZUZCIYMTSA-N 1 2 347.850 2.459 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)cc1F ZINC000968752759 1221539244 /nfs/dbraw/zinc/53/92/44/1221539244.db2.gz SGKKDUIJCKAOEA-YPMHNXCESA-N 1 2 347.287 2.288 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)cc1F ZINC000968752759 1221539246 /nfs/dbraw/zinc/53/92/46/1221539246.db2.gz SGKKDUIJCKAOEA-YPMHNXCESA-N 1 2 347.287 2.288 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCCCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)o1 ZINC000968822064 1221598302 /nfs/dbraw/zinc/59/83/02/1221598302.db2.gz NMXOGNBTQWGAHG-OAHLLOKOSA-N 1 2 341.415 2.357 20 30 EEEDLO Cc1cnc(C[N@H+]2CCCCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)o1 ZINC000968822064 1221598305 /nfs/dbraw/zinc/59/83/05/1221598305.db2.gz NMXOGNBTQWGAHG-OAHLLOKOSA-N 1 2 341.415 2.357 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cccc(OCC)n2)C1 ZINC001008002252 1222558292 /nfs/dbraw/zinc/55/82/92/1222558292.db2.gz ZXZHBFLATCTXTI-HNNXBMFYSA-N 1 2 337.851 2.356 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cccc(OCC)n2)C1 ZINC001008002252 1222558296 /nfs/dbraw/zinc/55/82/96/1222558296.db2.gz ZXZHBFLATCTXTI-HNNXBMFYSA-N 1 2 337.851 2.356 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(C)nnn3CC)C2)C1 ZINC001008438505 1222837443 /nfs/dbraw/zinc/83/74/43/1222837443.db2.gz ZSOUDSXUACECBV-OAHLLOKOSA-N 1 2 331.464 2.043 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3c(C)nnn3CC)C2)C1 ZINC001008438505 1222837446 /nfs/dbraw/zinc/83/74/46/1222837446.db2.gz ZSOUDSXUACECBV-OAHLLOKOSA-N 1 2 331.464 2.043 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001008812719 1223048667 /nfs/dbraw/zinc/04/86/67/1223048667.db2.gz CINVZUOVAMTIIG-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001008812719 1223048671 /nfs/dbraw/zinc/04/86/71/1223048671.db2.gz CINVZUOVAMTIIG-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC001009257532 1223190936 /nfs/dbraw/zinc/19/09/36/1223190936.db2.gz FAXCFUCYHLSPJS-LHRNQBEKSA-N 1 2 333.819 2.040 20 30 EEEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC001009257532 1223190938 /nfs/dbraw/zinc/19/09/38/1223190938.db2.gz FAXCFUCYHLSPJS-LHRNQBEKSA-N 1 2 333.819 2.040 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)Cc3ccc[nH]3)C2)c1 ZINC001009570287 1223288581 /nfs/dbraw/zinc/28/85/81/1223288581.db2.gz FFEJRYLGPZYEHW-QGZVFWFLSA-N 1 2 340.402 2.349 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)Cc3ccc[nH]3)C2)c1 ZINC001009570287 1223288585 /nfs/dbraw/zinc/28/85/85/1223288585.db2.gz FFEJRYLGPZYEHW-QGZVFWFLSA-N 1 2 340.402 2.349 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001009737536 1223350370 /nfs/dbraw/zinc/35/03/70/1223350370.db2.gz TWRIWLPGQIGLTI-WFASDCNBSA-N 1 2 338.883 2.474 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001009737536 1223350373 /nfs/dbraw/zinc/35/03/73/1223350373.db2.gz TWRIWLPGQIGLTI-WFASDCNBSA-N 1 2 338.883 2.474 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001009758437 1223357887 /nfs/dbraw/zinc/35/78/87/1223357887.db2.gz GFUMYRZCMGPQIN-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001009758437 1223357890 /nfs/dbraw/zinc/35/78/90/1223357890.db2.gz GFUMYRZCMGPQIN-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)o1 ZINC001010432039 1223717055 /nfs/dbraw/zinc/71/70/55/1223717055.db2.gz LSAOVWGICDDFDC-HNNXBMFYSA-N 1 2 342.374 2.307 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)o1 ZINC001010432039 1223717058 /nfs/dbraw/zinc/71/70/58/1223717058.db2.gz LSAOVWGICDDFDC-HNNXBMFYSA-N 1 2 342.374 2.307 20 30 EEEDLO CCc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)co1 ZINC001010701239 1223857827 /nfs/dbraw/zinc/85/78/27/1223857827.db2.gz SLDGEPXYISBCOP-CQSZACIVSA-N 1 2 342.374 2.252 20 30 EEEDLO CCc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)co1 ZINC001010701239 1223857830 /nfs/dbraw/zinc/85/78/30/1223857830.db2.gz SLDGEPXYISBCOP-CQSZACIVSA-N 1 2 342.374 2.252 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001010810732 1223919198 /nfs/dbraw/zinc/91/91/98/1223919198.db2.gz GZWHWTJOKBVRFI-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccnn1C1CCC1 ZINC001014469352 1226653166 /nfs/dbraw/zinc/65/31/66/1226653166.db2.gz IBDIXRLOEPEXCQ-SFHVURJKSA-N 1 2 348.450 2.464 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccnn1C1CCC1 ZINC001014469352 1226653171 /nfs/dbraw/zinc/65/31/71/1226653171.db2.gz IBDIXRLOEPEXCQ-SFHVURJKSA-N 1 2 348.450 2.464 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001058251448 1248759753 /nfs/dbraw/zinc/75/97/53/1248759753.db2.gz GIEUGCPYFKLDAK-RYRKJORJSA-N 1 2 344.459 2.241 20 30 EEEDLO Cn1nc(C2CC2)cc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001014597904 1226824381 /nfs/dbraw/zinc/82/43/81/1226824381.db2.gz WKVGFXHXIDDVTG-SFHVURJKSA-N 1 2 348.450 2.153 20 30 EEEDLO Cn1nc(C2CC2)cc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001014597904 1226824384 /nfs/dbraw/zinc/82/43/84/1226824384.db2.gz WKVGFXHXIDDVTG-SFHVURJKSA-N 1 2 348.450 2.153 20 30 EEEDLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1Nc1cccc(F)c1C#N ZINC001067173868 1227151180 /nfs/dbraw/zinc/15/11/80/1227151180.db2.gz BGDJXOODABOIRP-SUMWQHHRSA-N 1 2 341.390 2.243 20 30 EEEDLO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(C)C)cc1C#N ZINC001017364540 1227364356 /nfs/dbraw/zinc/36/43/56/1227364356.db2.gz IYWFZLGHKQJJER-CALCHBBNSA-N 1 2 327.428 2.398 20 30 EEEDLO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(C)C)cc1C#N ZINC001017364540 1227364363 /nfs/dbraw/zinc/36/43/63/1227364363.db2.gz IYWFZLGHKQJJER-CALCHBBNSA-N 1 2 327.428 2.398 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCCCO2)cc1 ZINC001017482202 1227456981 /nfs/dbraw/zinc/45/69/81/1227456981.db2.gz IMVRLMIWRDRUCW-OTWHNJEPSA-N 1 2 339.439 2.303 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCCCO2)cc1 ZINC001017482202 1227456988 /nfs/dbraw/zinc/45/69/88/1227456988.db2.gz IMVRLMIWRDRUCW-OTWHNJEPSA-N 1 2 339.439 2.303 20 30 EEEDLO N#Cc1ccccc1CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001017780461 1227724899 /nfs/dbraw/zinc/72/48/99/1227724899.db2.gz MZOSTIAUTRJKEG-KDURUIRLSA-N 1 2 349.438 2.020 20 30 EEEDLO CC(C)(C)c1cnc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001018748094 1228363959 /nfs/dbraw/zinc/36/39/59/1228363959.db2.gz RBPZAMJUGYQJAO-ZDUSSCGKSA-N 1 2 341.415 2.176 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ncc(C(C)C)o3)C2)nc1 ZINC001019676769 1229247656 /nfs/dbraw/zinc/24/76/56/1229247656.db2.gz CMOQJXGTMHWPNY-HNNXBMFYSA-N 1 2 338.411 2.179 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001020155015 1229517514 /nfs/dbraw/zinc/51/75/14/1229517514.db2.gz TYHBXFZCGUQNMO-ULQDDVLXSA-N 1 2 349.438 2.138 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001020344453 1229635606 /nfs/dbraw/zinc/63/56/06/1229635606.db2.gz SVLCLTMVYAPSIY-WKILWMFISA-N 1 2 349.438 2.211 20 30 EEEDLO C=C(Cl)CN1CC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001038267458 1229713413 /nfs/dbraw/zinc/71/34/13/1229713413.db2.gz UXWZUTGOKCHEFO-VNQPRFMTSA-N 1 2 348.878 2.097 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001038762683 1230032205 /nfs/dbraw/zinc/03/22/05/1230032205.db2.gz LYMRDXFDYRFNTH-IAGOWNOFSA-N 1 2 339.439 2.448 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001038762683 1230032209 /nfs/dbraw/zinc/03/22/09/1230032209.db2.gz LYMRDXFDYRFNTH-IAGOWNOFSA-N 1 2 339.439 2.448 20 30 EEEDLO Cc1ccc(C#N)c(NC2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001067269671 1230045866 /nfs/dbraw/zinc/04/58/66/1230045866.db2.gz MVDBKUODMHNJNY-UHFFFAOYSA-N 1 2 338.415 2.021 20 30 EEEDLO C=CCOc1cccnc1C(=O)NC[C@H]1CC[N@H+]1CCC(F)(F)F ZINC001038905692 1230152318 /nfs/dbraw/zinc/15/23/18/1230152318.db2.gz QOAZKWVMAFCJET-GFCCVEGCSA-N 1 2 343.349 2.403 20 30 EEEDLO C=CCOc1cccnc1C(=O)NC[C@H]1CC[N@@H+]1CCC(F)(F)F ZINC001038905692 1230152320 /nfs/dbraw/zinc/15/23/20/1230152320.db2.gz QOAZKWVMAFCJET-GFCCVEGCSA-N 1 2 343.349 2.403 20 30 EEEDLO Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC001039347045 1230543537 /nfs/dbraw/zinc/54/35/37/1230543537.db2.gz QYZSOEFBVSREGX-YUTCNCBUSA-N 1 2 349.866 2.107 20 30 EEEDLO Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC001039347045 1230543541 /nfs/dbraw/zinc/54/35/41/1230543541.db2.gz QYZSOEFBVSREGX-YUTCNCBUSA-N 1 2 349.866 2.107 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H]1CCN(CC)C1=O ZINC001039895960 1230894473 /nfs/dbraw/zinc/89/44/73/1230894473.db2.gz AYQLLGHLIMRDMP-PFRQMTDMSA-N 1 2 347.503 2.275 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H]1CCN(CC)C1=O ZINC001039895960 1230894478 /nfs/dbraw/zinc/89/44/78/1230894478.db2.gz AYQLLGHLIMRDMP-PFRQMTDMSA-N 1 2 347.503 2.275 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H]1CCN(CC)C1=O ZINC001039895958 1230894692 /nfs/dbraw/zinc/89/46/92/1230894692.db2.gz AYQLLGHLIMRDMP-CLWJZODNSA-N 1 2 347.503 2.275 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H]1CCN(CC)C1=O ZINC001039895958 1230894695 /nfs/dbraw/zinc/89/46/95/1230894695.db2.gz AYQLLGHLIMRDMP-CLWJZODNSA-N 1 2 347.503 2.275 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H](CNc3cc[nH+]c(C)n3)[C@@H](C)C2)cn1 ZINC001040424569 1231223805 /nfs/dbraw/zinc/22/38/05/1231223805.db2.gz PQROOSDDUIEYCC-GOEBONIOSA-N 1 2 349.438 2.372 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC2(C1)CC[NH+](Cc1nn(C)cc1Cl)CC2 ZINC001040642841 1231324676 /nfs/dbraw/zinc/32/46/76/1231324676.db2.gz DPNIULMCANKJIY-CYBMUJFWSA-N 1 2 349.866 2.048 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC2(C1)CC[NH+](Cc1nnc(C)[nH]1)CC2 ZINC001040800735 1231372843 /nfs/dbraw/zinc/37/28/43/1231372843.db2.gz MOFBPVPYEKQZKX-UHFFFAOYSA-N 1 2 331.464 2.140 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H](Nc3cc[nH+]c(C)n3)C23CCC3)c1 ZINC001041622287 1231627432 /nfs/dbraw/zinc/62/74/32/1231627432.db2.gz UCQXKZGWKMABBN-IRXDYDNUSA-N 1 2 347.422 2.314 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](Cc4cscn4)[C@H]3C2)[nH]1 ZINC001042015938 1231832574 /nfs/dbraw/zinc/83/25/74/1231832574.db2.gz MLYBAZWGJHPDJD-LRDDRELGSA-N 1 2 341.440 2.079 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4cscn4)[C@H]3C2)[nH]1 ZINC001042015938 1231832575 /nfs/dbraw/zinc/83/25/75/1231832575.db2.gz MLYBAZWGJHPDJD-LRDDRELGSA-N 1 2 341.440 2.079 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@H+](Cc4ncccn4)[C@@H]3C2)C1 ZINC001042225078 1231968014 /nfs/dbraw/zinc/96/80/14/1231968014.db2.gz VKEAKDDJNCQTAN-JKSUJKDBSA-N 1 2 326.444 2.256 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4ncccn4)[C@@H]3C2)C1 ZINC001042225078 1231968015 /nfs/dbraw/zinc/96/80/15/1231968015.db2.gz VKEAKDDJNCQTAN-JKSUJKDBSA-N 1 2 326.444 2.256 20 30 EEEDLO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3[nH]nnc3-c3ccccc3)C[C@H]21 ZINC001042368382 1232050210 /nfs/dbraw/zinc/05/02/10/1232050210.db2.gz PXYDMSDHMDNMKR-GOEBONIOSA-N 1 2 337.427 2.194 20 30 EEEDLO C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3[nH]nnc3-c3ccccc3)C[C@H]21 ZINC001042368382 1232050212 /nfs/dbraw/zinc/05/02/12/1232050212.db2.gz PXYDMSDHMDNMKR-GOEBONIOSA-N 1 2 337.427 2.194 20 30 EEEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001042590245 1232114234 /nfs/dbraw/zinc/11/42/34/1232114234.db2.gz ZPUMWMCWNDYLLU-NSHDSACASA-N 1 2 341.242 2.226 20 30 EEEDLO Cc1cc(NC[C@H]2CCN(C(=O)CSCC#N)C2)nc(C(C)C)[nH+]1 ZINC001098507901 1232854933 /nfs/dbraw/zinc/85/49/33/1232854933.db2.gz HINKZBKTMQXAHK-CQSZACIVSA-N 1 2 347.488 2.426 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@]2(CC[N@@H+](Cc3ncnn3C)C2)C1 ZINC001045958388 1234231165 /nfs/dbraw/zinc/23/11/65/1234231165.db2.gz RNPOGJGVMJEPNH-LJQANCHMSA-N 1 2 345.491 2.232 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@]2(CC[N@H+](Cc3ncnn3C)C2)C1 ZINC001045958388 1234231171 /nfs/dbraw/zinc/23/11/71/1234231171.db2.gz RNPOGJGVMJEPNH-LJQANCHMSA-N 1 2 345.491 2.232 20 30 EEEDLO CC1(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)CCCCC1 ZINC001046044048 1234366889 /nfs/dbraw/zinc/36/68/89/1234366889.db2.gz IMIDKWKWOFRESN-QGZVFWFLSA-N 1 2 332.492 2.089 20 30 EEEDLO C[C@]1(NC(=O)c2ccon2)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046156609 1234498849 /nfs/dbraw/zinc/49/88/49/1234498849.db2.gz RBOLZUSIUHYEFR-SFHVURJKSA-N 1 2 327.359 2.060 20 30 EEEDLO C[C@]1(NC(=O)c2ccon2)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046156609 1234498851 /nfs/dbraw/zinc/49/88/51/1234498851.db2.gz RBOLZUSIUHYEFR-SFHVURJKSA-N 1 2 327.359 2.060 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001046327937 1234671897 /nfs/dbraw/zinc/67/18/97/1234671897.db2.gz SLCMBTHIUWSECT-AYBZRNKSSA-N 1 2 347.459 2.353 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001046327937 1234671898 /nfs/dbraw/zinc/67/18/98/1234671898.db2.gz SLCMBTHIUWSECT-AYBZRNKSSA-N 1 2 347.459 2.353 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001046374580 1234723518 /nfs/dbraw/zinc/72/35/18/1234723518.db2.gz QHDCGPUOKISLPL-IBGZPJMESA-N 1 2 341.459 2.110 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001046374580 1234723520 /nfs/dbraw/zinc/72/35/20/1234723520.db2.gz QHDCGPUOKISLPL-IBGZPJMESA-N 1 2 341.459 2.110 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@@H+]([C@H](C)c2nc(C)no2)C1 ZINC001046377163 1234727982 /nfs/dbraw/zinc/72/79/82/1234727982.db2.gz GIBSPKDNZGJKNN-ACJLOTCBSA-N 1 2 343.431 2.321 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@H+]([C@H](C)c2nc(C)no2)C1 ZINC001046377163 1234727986 /nfs/dbraw/zinc/72/79/86/1234727986.db2.gz GIBSPKDNZGJKNN-ACJLOTCBSA-N 1 2 343.431 2.321 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001046509083 1234885415 /nfs/dbraw/zinc/88/54/15/1234885415.db2.gz YYPPNIIQYFGKMB-INIZCTEOSA-N 1 2 333.823 2.213 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001046509083 1234885417 /nfs/dbraw/zinc/88/54/17/1234885417.db2.gz YYPPNIIQYFGKMB-INIZCTEOSA-N 1 2 333.823 2.213 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001054929383 1249400819 /nfs/dbraw/zinc/40/08/19/1249400819.db2.gz LASQGJICJNHAOK-QAQDUYKDSA-N 1 2 346.475 2.278 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@@]2(C)CC[N@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001046686801 1235073652 /nfs/dbraw/zinc/07/36/52/1235073652.db2.gz BZMASUABAGAEBJ-SFHVURJKSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001046686801 1235073655 /nfs/dbraw/zinc/07/36/55/1235073655.db2.gz BZMASUABAGAEBJ-SFHVURJKSA-N 1 2 341.390 2.123 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](Cc3nc(C)cs3)C2)nc1 ZINC001046781527 1235179555 /nfs/dbraw/zinc/17/95/55/1235179555.db2.gz IQHNILBXOZSURK-GOSISDBHSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](Cc3nc(C)cs3)C2)nc1 ZINC001046781527 1235179557 /nfs/dbraw/zinc/17/95/57/1235179557.db2.gz IQHNILBXOZSURK-GOSISDBHSA-N 1 2 340.452 2.222 20 30 EEEDLO N#Cc1cccnc1N[C@H]1C[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001046960157 1235359570 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WFJDUXLTJXCBHJ-ZNMIVQPWSA-N 1 2 344.459 2.050 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001096218910 1236238691 /nfs/dbraw/zinc/23/86/91/1236238691.db2.gz PSZWXKMHDIRCLA-ZDUSSCGKSA-N 1 2 342.447 2.051 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001096271908 1236937322 /nfs/dbraw/zinc/93/73/22/1236937322.db2.gz GOKXJMBGBLIUON-IKGGRYGDSA-N 1 2 336.395 2.390 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001096271908 1236937323 /nfs/dbraw/zinc/93/73/23/1236937323.db2.gz GOKXJMBGBLIUON-IKGGRYGDSA-N 1 2 336.395 2.390 20 30 EEEDLO C=C(C)CCC(=O)NCC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC001096288153 1237126270 /nfs/dbraw/zinc/12/62/70/1237126270.db2.gz AVHYVWKTQWSSCJ-UHFFFAOYSA-N 1 2 344.434 2.292 20 30 EEEDLO CC(C)CCCC(=O)NCC[NH+]1CCN(c2ccncc2C#N)CC1 ZINC001096304276 1237253433 /nfs/dbraw/zinc/25/34/33/1237253433.db2.gz KGICTUKMRWKJKN-UHFFFAOYSA-N 1 2 343.475 2.018 20 30 EEEDLO 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C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(F)ccc1OC ZINC001051053827 1244917001 /nfs/dbraw/zinc/91/70/01/1244917001.db2.gz VYRTVJWKHMLMMU-HNNXBMFYSA-N 1 2 336.407 2.231 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(F)ccc1OC ZINC001051053827 1244917008 /nfs/dbraw/zinc/91/70/08/1244917008.db2.gz VYRTVJWKHMLMMU-HNNXBMFYSA-N 1 2 336.407 2.231 20 30 EEEDLO C=CCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001051102942 1244983517 /nfs/dbraw/zinc/98/35/17/1244983517.db2.gz CUZILOBEUXCJQC-ZIAGYGMSSA-N 1 2 340.427 2.496 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)C(F)F)c2)C1 ZINC001101085692 1245379278 /nfs/dbraw/zinc/37/92/78/1245379278.db2.gz WZPBAMVDYGPCDZ-CYBMUJFWSA-N 1 2 345.777 2.169 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](Oc2ccnc(CNC(=O)C(F)F)c2)C1 ZINC001101085692 1245379282 /nfs/dbraw/zinc/37/92/82/1245379282.db2.gz WZPBAMVDYGPCDZ-CYBMUJFWSA-N 1 2 345.777 2.169 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(F)cc1Cl ZINC001051232591 1245420434 /nfs/dbraw/zinc/42/04/34/1245420434.db2.gz QLXCEICMQHEYLV-ZDUSSCGKSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(F)cc1Cl ZINC001051232591 1245420436 /nfs/dbraw/zinc/42/04/36/1245420436.db2.gz QLXCEICMQHEYLV-ZDUSSCGKSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001051247354 1245436208 /nfs/dbraw/zinc/43/62/08/1245436208.db2.gz BCUWVQNZPDZMQV-AWEZNQCLSA-N 1 2 325.840 2.168 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)cn1CC ZINC001051247354 1245436210 /nfs/dbraw/zinc/43/62/10/1245436210.db2.gz BCUWVQNZPDZMQV-AWEZNQCLSA-N 1 2 325.840 2.168 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)n(C(C)(C)C)n1 ZINC001051247320 1245436343 /nfs/dbraw/zinc/43/63/43/1245436343.db2.gz ALBHVHZZTKYJBG-INIZCTEOSA-N 1 2 348.491 2.343 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)n(C(C)(C)C)n1 ZINC001051247320 1245436345 /nfs/dbraw/zinc/43/63/45/1245436345.db2.gz ALBHVHZZTKYJBG-INIZCTEOSA-N 1 2 348.491 2.343 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001051262408 1245452109 /nfs/dbraw/zinc/45/21/09/1245452109.db2.gz AAGDPWQAGIHFQF-FGTMMUONSA-N 1 2 332.419 2.322 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001051262408 1245452113 /nfs/dbraw/zinc/45/21/13/1245452113.db2.gz AAGDPWQAGIHFQF-FGTMMUONSA-N 1 2 332.419 2.322 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1Cc2c1cccc2Cl ZINC001051264905 1245455119 /nfs/dbraw/zinc/45/51/19/1245455119.db2.gz YXQOQIDJGIKPFW-CJNGLKHVSA-N 1 2 334.847 2.373 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1Cc2c1cccc2Cl ZINC001051264905 1245455121 /nfs/dbraw/zinc/45/51/21/1245455121.db2.gz YXQOQIDJGIKPFW-CJNGLKHVSA-N 1 2 334.847 2.373 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nc(CC)no3)C[C@@]2(C)C1 ZINC001101254254 1245578024 /nfs/dbraw/zinc/57/80/24/1245578024.db2.gz IFBOXKAJDXFZSR-KDOFPFPSSA-N 1 2 332.448 2.269 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](Cc3nc(CC)no3)C[C@@]2(C)C1 ZINC001101254254 1245578028 /nfs/dbraw/zinc/57/80/28/1245578028.db2.gz IFBOXKAJDXFZSR-KDOFPFPSSA-N 1 2 332.448 2.269 20 30 EEEDLO Cc1nc(NCCN(C)C(=O)c2cc(C#N)c[nH]2)c2c([nH+]1)CCCC2 ZINC001101571900 1245976929 /nfs/dbraw/zinc/97/69/29/1245976929.db2.gz XHHGYDSLFFZCFO-UHFFFAOYSA-N 1 2 338.415 2.048 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCOC2(C[NH+](Cc3cccc4ccccc43)C2)C1 ZINC001053191007 1246030421 /nfs/dbraw/zinc/03/04/21/1246030421.db2.gz JDPSDHNJMBRLQK-INIZCTEOSA-N 1 2 349.434 2.413 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)Oc1ccccc1F)CCO2 ZINC001053265838 1246113792 /nfs/dbraw/zinc/11/37/92/1246113792.db2.gz JYZOGLCMUFLTEN-HNNXBMFYSA-N 1 2 348.418 2.082 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc3c(c1)C[C@@H](C)O3)CCO2 ZINC001053471172 1246370471 /nfs/dbraw/zinc/37/04/71/1246370471.db2.gz AEYCIGJZKPWLOC-OAHLLOKOSA-N 1 2 342.439 2.113 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)C3CC(C)(C)C3)C2)CC1 ZINC001052023015 1246385839 /nfs/dbraw/zinc/38/58/39/1246385839.db2.gz PRZIDYMGEWAUMU-MRXNPFEDSA-N 1 2 339.911 2.394 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccsc3)C2)CC1 ZINC001052037562 1246406304 /nfs/dbraw/zinc/40/63/04/1246406304.db2.gz NOWTYBBDEIJLGD-GOSISDBHSA-N 1 2 347.528 2.475 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)C3CCC3)C2)CC1 ZINC001052042493 1246411733 /nfs/dbraw/zinc/41/17/33/1246411733.db2.gz CGCGJNGKUYDFRH-WBVHZDCISA-N 1 2 339.911 2.394 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc(CC(C)C)c[nH]1)CCO2 ZINC001053510718 1246412764 /nfs/dbraw/zinc/41/27/64/1246412764.db2.gz WPSGZIPCSURUEH-UHFFFAOYSA-N 1 2 331.460 2.316 20 30 EEEDLO Cc1cc(Cl)cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c1 ZINC001052052035 1246423238 /nfs/dbraw/zinc/42/32/38/1246423238.db2.gz GGQWBSJXAJVQPP-KRWDZBQOSA-N 1 2 346.862 2.004 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C3CC4(CCC4)C3)C2)CC1 ZINC001052064000 1246433917 /nfs/dbraw/zinc/43/39/17/1246433917.db2.gz AMDIZPZRHQZCFH-GOSISDBHSA-N 1 2 331.504 2.361 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@]3(C)C=CCC3)C2)CC1 ZINC001052067848 1246440021 /nfs/dbraw/zinc/44/00/21/1246440021.db2.gz PTQYSCLGIPTRQN-FUHWJXTLSA-N 1 2 337.895 2.314 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@]3(C)C=CCC3)C2)CC1 ZINC001052067847 1246440200 /nfs/dbraw/zinc/44/02/00/1246440200.db2.gz PTQYSCLGIPTRQN-AEFFLSMTSA-N 1 2 337.895 2.314 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)c1cccc(F)c1)CCO2 ZINC001053536596 1246445669 /nfs/dbraw/zinc/44/56/69/1246445669.db2.gz XQQPHRYFCIDDPC-OAHLLOKOSA-N 1 2 332.419 2.419 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)CC3CCCC3)C2)CC1 ZINC001052094840 1246474420 /nfs/dbraw/zinc/47/44/20/1246474420.db2.gz ZTUKIYDOMZUECR-IEBWSBKVSA-N 1 2 331.504 2.055 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(Cl)c3)C2)CC1 ZINC001052112207 1246494278 /nfs/dbraw/zinc/49/42/78/1246494278.db2.gz PBPKXIVBXILJNP-SFHVURJKSA-N 1 2 345.874 2.195 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC2(C[NH+](CC=C(C)C)C2)O1 ZINC001053675020 1246628913 /nfs/dbraw/zinc/62/89/13/1246628913.db2.gz CAJIAXCWFPFRFZ-SQNIBIBYSA-N 1 2 348.487 2.283 20 30 EEEDLO C=CCOc1ccccc1C(=O)N[C@H]1COC2(C[NH+](CC(=C)C)C2)C1 ZINC001053849162 1246905257 /nfs/dbraw/zinc/90/52/57/1246905257.db2.gz CPHJCONBDYIGRV-MRXNPFEDSA-N 1 2 342.439 2.401 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(-c3ccco3)o1)CO2 ZINC001053867401 1246937777 /nfs/dbraw/zinc/93/77/77/1246937777.db2.gz JTZXUHBRYVPFKX-CQSZACIVSA-N 1 2 340.379 2.136 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(-c3ccco3)on1)CO2 ZINC001053886403 1246967672 /nfs/dbraw/zinc/96/76/72/1246967672.db2.gz JRPYZRAFIGUWLA-CYBMUJFWSA-N 1 2 343.383 2.084 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)cc(F)cc1C)CO2 ZINC001053889131 1246970894 /nfs/dbraw/zinc/97/08/94/1246970894.db2.gz BODPJRFSBVRFIY-MRXNPFEDSA-N 1 2 330.403 2.039 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)c1ccc(Cl)cc1)CO2 ZINC001053915769 1247009946 /nfs/dbraw/zinc/00/99/46/1247009946.db2.gz RWRYBPCOIGAJRX-YOEHRIQHSA-N 1 2 346.858 2.426 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(F)ccc1Cl)CO2 ZINC001053937402 1247034262 /nfs/dbraw/zinc/03/42/62/1247034262.db2.gz DDBHDPUMCHICBO-CYBMUJFWSA-N 1 2 336.794 2.076 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCC(F)(F)CC1)CO2 ZINC001053938407 1247037280 /nfs/dbraw/zinc/03/72/80/1247037280.db2.gz SRWAIOPEUXSCNS-CQSZACIVSA-N 1 2 328.403 2.348 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)nn(CCC)c1C)CO2 ZINC001053976624 1247094959 /nfs/dbraw/zinc/09/49/59/1247094959.db2.gz WTUPAFIJXYRFDK-MRXNPFEDSA-N 1 2 346.475 2.059 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1nccc2[nH]ccc21 ZINC001054052755 1247245010 /nfs/dbraw/zinc/24/50/10/1247245010.db2.gz GTJMJJPWYOTLTG-KRWDZBQOSA-N 1 2 344.418 2.353 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1nccc2[nH]ccc21 ZINC001054052755 1247245017 /nfs/dbraw/zinc/24/50/17/1247245017.db2.gz GTJMJJPWYOTLTG-KRWDZBQOSA-N 1 2 344.418 2.353 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccccc1OC ZINC001054058607 1247264179 /nfs/dbraw/zinc/26/41/79/1247264179.db2.gz QZZNDPJXUKCTBK-GOSISDBHSA-N 1 2 334.419 2.485 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccccc1OC ZINC001054058607 1247264190 /nfs/dbraw/zinc/26/41/90/1247264190.db2.gz QZZNDPJXUKCTBK-GOSISDBHSA-N 1 2 334.419 2.485 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@]2(CC[N@H+](Cc3cnon3)C2)C1 ZINC001054192061 1247668616 /nfs/dbraw/zinc/66/86/16/1247668616.db2.gz QOMQPURPOQDCAH-ZWKOTPCHSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3cnon3)C2)C1 ZINC001054192061 1247668626 /nfs/dbraw/zinc/66/86/26/1247668626.db2.gz QOMQPURPOQDCAH-ZWKOTPCHSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@]2(CC[N@H+](Cc3cnn(C)n3)C2)C1 ZINC001054192257 1247670288 /nfs/dbraw/zinc/67/02/88/1247670288.db2.gz SORCLMRRYIVGRQ-RBUKOAKNSA-N 1 2 345.491 2.232 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3cnn(C)n3)C2)C1 ZINC001054192257 1247670297 /nfs/dbraw/zinc/67/02/97/1247670297.db2.gz SORCLMRRYIVGRQ-RBUKOAKNSA-N 1 2 345.491 2.232 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(C4CC4)nn3C)cc2C1 ZINC001054267248 1247941642 /nfs/dbraw/zinc/94/16/42/1247941642.db2.gz JOKFRCMMBCVZHB-UHFFFAOYSA-N 1 2 334.423 2.176 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(C4CC4)nn3C)cc2C1 ZINC001054267248 1247941650 /nfs/dbraw/zinc/94/16/50/1247941650.db2.gz JOKFRCMMBCVZHB-UHFFFAOYSA-N 1 2 334.423 2.176 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCn4cc(C)nc4C3)cc2C1 ZINC001054270202 1247958594 /nfs/dbraw/zinc/95/85/94/1247958594.db2.gz DWNCKLNIVZXZHC-QGZVFWFLSA-N 1 2 348.450 2.019 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCn4cc(C)nc4C3)cc2C1 ZINC001054270202 1247958609 /nfs/dbraw/zinc/95/86/09/1247958609.db2.gz DWNCKLNIVZXZHC-QGZVFWFLSA-N 1 2 348.450 2.019 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001058092728 1248435627 /nfs/dbraw/zinc/43/56/27/1248435627.db2.gz AHXPCXJRJAZLRA-WMZOPIPTSA-N 1 2 344.459 2.193 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@@H]1C ZINC001068877391 1251837377 /nfs/dbraw/zinc/83/73/77/1251837377.db2.gz HCMYRRFOUQSLDI-KBXCAEBGSA-N 1 2 334.423 2.410 20 30 EEEDLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CC(Nc2cccc(F)c2C#N)C1 ZINC001069797603 1253278096 /nfs/dbraw/zinc/27/80/96/1253278096.db2.gz AXSOUPNLWITPDJ-UHFFFAOYSA-N 1 2 327.363 2.064 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001070792619 1253797865 /nfs/dbraw/zinc/79/78/65/1253797865.db2.gz CNXGHASTGPXJAA-OAHLLOKOSA-N 1 2 346.475 2.062 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001070932825 1253864282 /nfs/dbraw/zinc/86/42/82/1253864282.db2.gz IAQUCAYYASTURD-VQIMIIECSA-N 1 2 346.475 2.373 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001071071314 1253936012 /nfs/dbraw/zinc/93/60/12/1253936012.db2.gz IOHZBERHFZIFBK-HUUCEWRRSA-N 1 2 332.448 2.154 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cncc3ncn(C)c32)CC[C@H]1C ZINC001071579867 1254369803 /nfs/dbraw/zinc/36/98/03/1254369803.db2.gz 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/nfs/dbraw/zinc/71/52/36/1301715236.db2.gz SXSVIRHDAQPMBK-PUNAFYOISA-N 1 2 328.727 2.379 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NCC[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001102901275 1301883191 /nfs/dbraw/zinc/88/31/91/1301883191.db2.gz SJRMLENUUAJWMY-WBVHZDCISA-N 1 2 346.475 2.489 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)C2(COCC)CC2)CC1 ZINC001228047052 1302073557 /nfs/dbraw/zinc/07/35/57/1302073557.db2.gz VVMMXVPXQZPRKC-UHFFFAOYSA-N 1 2 345.281 2.292 20 30 EEEDLO COc1cccc(F)c1C[NH+]1CC2(C[C@@H]2C(=O)NC2(C#N)CCC2)C1 ZINC001277295127 1302234028 /nfs/dbraw/zinc/23/40/28/1302234028.db2.gz BXRINGWGXFLBAZ-CQSZACIVSA-N 1 2 343.402 2.219 20 30 EEEDLO CC[C@H](CNC(=O)CCCn1cc[nH+]c1)Nc1nc(C)ccc1C#N ZINC001103121129 1302266172 /nfs/dbraw/zinc/26/61/72/1302266172.db2.gz QMSWQOBUNOTCDO-MRXNPFEDSA-N 1 2 340.431 2.245 20 30 EEEDLO C#CCOCCC(=O)NC[C@@H](CC)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001103192760 1302432541 /nfs/dbraw/zinc/43/25/41/1302432541.db2.gz FEUVQUWMFQAFFE-OAHLLOKOSA-N 1 2 344.459 2.010 20 30 EEEDLO C=CCCCC(=O)NC1CC[NH+](CC(=O)NCc2cccs2)CC1 ZINC001228928145 1302529736 /nfs/dbraw/zinc/52/97/36/1302529736.db2.gz WPGHNCZGUTXTEX-UHFFFAOYSA-N 1 2 349.500 2.301 20 30 EEEDLO CC[C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)Nc1nccnc1C#N ZINC001103378357 1302869538 /nfs/dbraw/zinc/86/95/38/1302869538.db2.gz UENLKBFGIZITFQ-CQSZACIVSA-N 1 2 338.415 2.289 20 30 EEEDLO C=C(Cl)C[N@@H+](CCCNC(=O)CCOC)Cc1cccnc1 ZINC001230640524 1303349412 /nfs/dbraw/zinc/34/94/12/1303349412.db2.gz RUVYXMKHKJNZHZ-UHFFFAOYSA-N 1 2 325.840 2.179 20 30 EEEDLO C=C(Cl)C[N@H+](CCCNC(=O)CCOC)Cc1cccnc1 ZINC001230640524 1303349414 /nfs/dbraw/zinc/34/94/14/1303349414.db2.gz RUVYXMKHKJNZHZ-UHFFFAOYSA-N 1 2 325.840 2.179 20 30 EEEDLO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)n1cccn1 ZINC001230848885 1303499819 /nfs/dbraw/zinc/49/98/19/1303499819.db2.gz MHJCVMLUIYYLLP-KBPBESRZSA-N 1 2 343.456 2.110 20 30 EEEDLO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)n1cccn1 ZINC001230848885 1303499824 /nfs/dbraw/zinc/49/98/24/1303499824.db2.gz MHJCVMLUIYYLLP-KBPBESRZSA-N 1 2 343.456 2.110 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F)C(=O)C[C@@H]1CCCO1 ZINC001230867323 1303513128 /nfs/dbraw/zinc/51/31/28/1303513128.db2.gz VNMODOFOJHWDJL-SJORKVTESA-N 1 2 345.418 2.299 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1F)C(=O)C[C@@H]1CCCO1 ZINC001230867323 1303513133 /nfs/dbraw/zinc/51/31/33/1303513133.db2.gz VNMODOFOJHWDJL-SJORKVTESA-N 1 2 345.418 2.299 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC001231177303 1303667094 /nfs/dbraw/zinc/66/70/94/1303667094.db2.gz CLEFPNXOTWVZFM-MAUKXSAKSA-N 1 2 347.503 2.275 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC001231177303 1303667099 /nfs/dbraw/zinc/66/70/99/1303667099.db2.gz CLEFPNXOTWVZFM-MAUKXSAKSA-N 1 2 347.503 2.275 20 30 EEEDLO CCCCOCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001231367719 1303755807 /nfs/dbraw/zinc/75/58/07/1303755807.db2.gz DFGYZQZGDIRTNW-CQSZACIVSA-N 1 2 335.473 2.469 20 30 EEEDLO CCCCOCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001231367719 1303755812 /nfs/dbraw/zinc/75/58/12/1303755812.db2.gz DFGYZQZGDIRTNW-CQSZACIVSA-N 1 2 335.473 2.469 20 30 EEEDLO C[C@@]1(c2ccccc2F)NC(=O)N(C[NH+]2CCC(CC#N)CC2)C1=O ZINC000781571275 1303820687 /nfs/dbraw/zinc/82/06/87/1303820687.db2.gz AIKUGLIKAGIDSK-SFHVURJKSA-N 1 2 344.390 2.176 20 30 EEEDLO C#CC[NH+]1CCN(Cc2nc(Cl)ccc2Br)CC1 ZINC001232061773 1303986580 /nfs/dbraw/zinc/98/65/80/1303986580.db2.gz IMZIMWISRJMDSG-UHFFFAOYSA-N 1 2 328.641 2.248 20 30 EEEDLO N#Cc1c(N)sc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CC=CC2)c1Cl ZINC001277644159 1304069430 /nfs/dbraw/zinc/06/94/30/1304069430.db2.gz XDTYVYFZZWZQDJ-MGPLVRAMSA-N 1 2 348.859 2.218 20 30 EEEDLO N#Cc1c(N)sc(C[N@H+]2CC[C@H]3C[C@]32C(=O)N2CC=CC2)c1Cl ZINC001277644159 1304069431 /nfs/dbraw/zinc/06/94/31/1304069431.db2.gz XDTYVYFZZWZQDJ-MGPLVRAMSA-N 1 2 348.859 2.218 20 30 EEEDLO CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3cc(C#N)ccc3O)CC[C@H]21 ZINC001232676502 1304212417 /nfs/dbraw/zinc/21/24/17/1304212417.db2.gz KQHZEXTYTJSXDR-NVXWUHKLSA-N 1 2 327.428 2.343 20 30 EEEDLO CC(C)C(=O)N1CC[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3O)CC[C@H]21 ZINC001232676502 1304212424 /nfs/dbraw/zinc/21/24/24/1304212424.db2.gz KQHZEXTYTJSXDR-NVXWUHKLSA-N 1 2 327.428 2.343 20 30 EEEDLO N#Cc1cccc(C[NH+]2CCN(c3cccc4c3OCCO4)CC2)n1 ZINC001232925338 1304295538 /nfs/dbraw/zinc/29/55/38/1304295538.db2.gz BVJCTJYGCCJJBV-UHFFFAOYSA-N 1 2 336.395 2.047 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)c3ccccc3)C2)c(O)c1 ZINC001233386180 1304453752 /nfs/dbraw/zinc/45/37/52/1304453752.db2.gz IYPGZULPQZHCEY-KRWDZBQOSA-N 1 2 342.420 2.312 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)c3ccccc3)C2)c(O)c1 ZINC001233386180 1304453754 /nfs/dbraw/zinc/45/37/54/1304453754.db2.gz IYPGZULPQZHCEY-KRWDZBQOSA-N 1 2 342.420 2.312 20 30 EEEDLO Cc1nc(N2CC[C@H](NC(=O)CSCC#N)C[C@@H]2C)c(C)c(C)[nH+]1 ZINC001112465059 1304563437 /nfs/dbraw/zinc/56/34/37/1304563437.db2.gz MNEFXTIKIWTJES-NHYWBVRUSA-N 1 2 347.488 2.132 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(OC)ccn1 ZINC001233760941 1304581561 /nfs/dbraw/zinc/58/15/61/1304581561.db2.gz FNMMGSSICRSYAJ-QGZVFWFLSA-N 1 2 329.444 2.317 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(OC)ccn1 ZINC001233760941 1304581563 /nfs/dbraw/zinc/58/15/63/1304581563.db2.gz FNMMGSSICRSYAJ-QGZVFWFLSA-N 1 2 329.444 2.317 20 30 EEEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cn(C)nc1C(F)F ZINC001233947530 1304652019 /nfs/dbraw/zinc/65/20/19/1304652019.db2.gz NBTVOUCKDBUUTR-CQSZACIVSA-N 1 2 338.402 2.194 20 30 EEEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cn(C)nc1C(F)F ZINC001233947530 1304652025 /nfs/dbraw/zinc/65/20/25/1304652025.db2.gz NBTVOUCKDBUUTR-CQSZACIVSA-N 1 2 338.402 2.194 20 30 EEEDLO C[C@@H](CCCNc1cccc(F)c1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001115088249 1304667465 /nfs/dbraw/zinc/66/74/65/1304667465.db2.gz FCHAIVSTYREBJV-LBPRGKRZSA-N 1 2 329.379 2.360 20 30 EEEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCOc1ccccc1F ZINC001234170755 1304780203 /nfs/dbraw/zinc/78/02/03/1304780203.db2.gz MLJALBCCLWXKBQ-INIZCTEOSA-N 1 2 332.419 2.397 20 30 EEEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1CCOc1ccccc1F ZINC001234170755 1304780208 /nfs/dbraw/zinc/78/02/08/1304780208.db2.gz MLJALBCCLWXKBQ-INIZCTEOSA-N 1 2 332.419 2.397 20 30 EEEDLO CC(C)N(C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C)C(C)C ZINC001234197220 1304794497 /nfs/dbraw/zinc/79/44/97/1304794497.db2.gz ZCZKIYWSKRAKSR-QGZVFWFLSA-N 1 2 349.519 2.214 20 30 EEEDLO CC(C)N(C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C)C(C)C ZINC001234197220 1304794501 /nfs/dbraw/zinc/79/45/01/1304794501.db2.gz ZCZKIYWSKRAKSR-QGZVFWFLSA-N 1 2 349.519 2.214 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCOCCN(C)c1nc(C)[nH+]c(C)c1C ZINC001115250972 1304864601 /nfs/dbraw/zinc/86/46/01/1304864601.db2.gz IZXPGOXULBZAQT-UONOGXRCSA-N 1 2 348.491 2.429 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NCCC[N@H+](C)CC(=C)Br ZINC001235245187 1305163087 /nfs/dbraw/zinc/16/30/87/1305163087.db2.gz LIVQUYYQGINFQU-ZDUSSCGKSA-N 1 2 333.270 2.314 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NCCC[N@@H+](C)CC(=C)Br ZINC001235245187 1305163089 /nfs/dbraw/zinc/16/30/89/1305163089.db2.gz LIVQUYYQGINFQU-ZDUSSCGKSA-N 1 2 333.270 2.314 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NCC3(NCC#N)CCCCC3)ccn12 ZINC001115538601 1305299578 /nfs/dbraw/zinc/29/95/78/1305299578.db2.gz OTWLIYGUIVLWPZ-UHFFFAOYSA-N 1 2 325.416 2.189 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C1CCC1 ZINC001235777093 1305382907 /nfs/dbraw/zinc/38/29/07/1305382907.db2.gz IYPZSMSNWMCSLH-SJLPKXTDSA-N 1 2 347.503 2.156 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C1CCC1 ZINC001235777093 1305382922 /nfs/dbraw/zinc/38/29/22/1305382922.db2.gz IYPZSMSNWMCSLH-SJLPKXTDSA-N 1 2 347.503 2.156 20 30 EEEDLO Cc1ccc(C#N)c(NC(=O)[C@H]2CC23C[NH+](Cc2cncn2C)C3)c1 ZINC001278248169 1308908802 /nfs/dbraw/zinc/90/88/02/1308908802.db2.gz VDHPKMRUGITUCI-MRXNPFEDSA-N 1 2 335.411 2.061 20 30 EEEDLO N#CCC1CN(C(=O)[C@]23C[C@H]2CC[N@H+]3Cc2ccc(O)cc2Cl)C1 ZINC001278272638 1308942341 /nfs/dbraw/zinc/94/23/41/1308942341.db2.gz MRTOFTRGQMGZOA-KDOFPFPSSA-N 1 2 345.830 2.382 20 30 EEEDLO N#CCC1CN(C(=O)[C@]23C[C@H]2CC[N@@H+]3Cc2ccc(O)cc2Cl)C1 ZINC001278272638 1308942346 /nfs/dbraw/zinc/94/23/46/1308942346.db2.gz MRTOFTRGQMGZOA-KDOFPFPSSA-N 1 2 345.830 2.382 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC3(C[C@H]3C(=O)NC3(C#N)CCC3)C2)c(F)c1 ZINC001278305079 1309218018 /nfs/dbraw/zinc/21/80/18/1309218018.db2.gz FLJLPUZGXFDEMG-HNNXBMFYSA-N 1 2 338.386 2.082 20 30 EEEDLO C[C@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)Nc1ccc(C#N)cn1 ZINC001120878079 1309808302 /nfs/dbraw/zinc/80/83/02/1309808302.db2.gz HFBKPPTULOEULH-GFCCVEGCSA-N 1 2 334.383 2.402 20 30 EEEDLO Cc1nc(N[C@@H]2CCC[C@@H]3CN(C(=O)C#CC(C)C)C[C@@H]32)cc[nH+]1 ZINC001123477369 1310581680 /nfs/dbraw/zinc/58/16/80/1310581680.db2.gz BXKYUAZVTRULRK-IXDOHACOSA-N 1 2 326.444 2.483 20 30 EEEDLO C=CCCC(=O)N1C[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C(C)(C)C1 ZINC001123908895 1310758148 /nfs/dbraw/zinc/75/81/48/1310758148.db2.gz UUEUTWNHNTYTIG-INIZCTEOSA-N 1 2 343.475 2.080 20 30 EEEDLO C=CCCC(=O)N1C[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C(C)(C)C1 ZINC001123908895 1310758160 /nfs/dbraw/zinc/75/81/60/1310758160.db2.gz UUEUTWNHNTYTIG-INIZCTEOSA-N 1 2 343.475 2.080 20 30 EEEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cnc(N3CCOCC3)s1)CC2 ZINC001139043395 1314693808 /nfs/dbraw/zinc/69/38/08/1314693808.db2.gz AWJUJJSFJWNEBQ-UHFFFAOYSA-N 1 2 340.452 2.410 20 30 EEEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cnc(N3CCOCC3)s1)CC2 ZINC001139043395 1314693812 /nfs/dbraw/zinc/69/38/12/1314693812.db2.gz AWJUJJSFJWNEBQ-UHFFFAOYSA-N 1 2 340.452 2.410 20 30 EEEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1nc(Br)cnc1N ZINC001140265062 1314850517 /nfs/dbraw/zinc/85/05/17/1314850517.db2.gz LJWDUZAWLQIENR-UHFFFAOYSA-N 1 2 332.205 2.325 20 30 EEEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1nc(Br)cnc1N ZINC001140265062 1314850521 /nfs/dbraw/zinc/85/05/21/1314850521.db2.gz LJWDUZAWLQIENR-UHFFFAOYSA-N 1 2 332.205 2.325 20 30 EEEDLO C=CCN(C(=O)C(=O)N1CC[NH+](Cc2ccccc2C)CC1)C(C)C ZINC000839247179 1315205288 /nfs/dbraw/zinc/20/52/88/1315205288.db2.gz CUKNUJJXABBOFY-UHFFFAOYSA-N 1 2 343.471 2.062 20 30 EEEDLO CCO[C@H]1C[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1 ZINC000840705357 1315400644 /nfs/dbraw/zinc/40/06/44/1315400644.db2.gz VDGNOAKRPIXCLI-BETUJISGSA-N 1 2 340.427 2.214 20 30 EEEDLO C=CCCC(=O)NC[C@H]1C[N@H+](Cc2noc3c2CCCC3)CCCO1 ZINC001149331317 1315947569 /nfs/dbraw/zinc/94/75/69/1315947569.db2.gz RTARLXRXBJFNJO-HNNXBMFYSA-N 1 2 347.459 2.227 20 30 EEEDLO C=CCCC(=O)NC[C@H]1C[N@@H+](Cc2noc3c2CCCC3)CCCO1 ZINC001149331317 1315947571 /nfs/dbraw/zinc/94/75/71/1315947571.db2.gz RTARLXRXBJFNJO-HNNXBMFYSA-N 1 2 347.459 2.227 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)c2cc(-c3ccn(C)n3)n3ccccc23)CC1 ZINC001150316892 1316233805 /nfs/dbraw/zinc/23/38/05/1316233805.db2.gz LVLHAZGIZCSSLY-UHFFFAOYSA-N 1 2 349.438 2.284 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C2(C(C)(F)F)CC2)C1 ZINC001150356957 1316242617 /nfs/dbraw/zinc/24/26/17/1316242617.db2.gz ITKPIHDEGDKULE-GFCCVEGCSA-N 1 2 336.810 2.381 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C2(C(C)(F)F)CC2)C1 ZINC001150356957 1316242620 /nfs/dbraw/zinc/24/26/20/1316242620.db2.gz ITKPIHDEGDKULE-GFCCVEGCSA-N 1 2 336.810 2.381 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)C2CCOCC2)C1 ZINC001150841625 1316390922 /nfs/dbraw/zinc/39/09/22/1316390922.db2.gz LHIMVBHVZVSPPK-HOCLYGCPSA-N 1 2 344.883 2.009 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)C2CCOCC2)C1 ZINC001150841625 1316390927 /nfs/dbraw/zinc/39/09/27/1316390927.db2.gz LHIMVBHVZVSPPK-HOCLYGCPSA-N 1 2 344.883 2.009 20 30 EEEDLO C=CCCC(=O)NC1(CCOC)CC[NH+](Cc2ccn(CC)n2)CC1 ZINC001151013980 1316429376 /nfs/dbraw/zinc/42/93/76/1316429376.db2.gz CZVHKHADKFBRPF-UHFFFAOYSA-N 1 2 348.491 2.357 20 30 EEEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1ccon1 ZINC001152102284 1316631977 /nfs/dbraw/zinc/63/19/77/1316631977.db2.gz AXFIAJRFTDIRGM-GFCCVEGCSA-N 1 2 330.363 2.326 20 30 EEEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1ccon1 ZINC001152102284 1316631979 /nfs/dbraw/zinc/63/19/79/1316631979.db2.gz AXFIAJRFTDIRGM-GFCCVEGCSA-N 1 2 330.363 2.326 20 30 EEEDLO CC[N@H+](Cc1cn(C(C)(C)C)nn1)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153265896 1316801406 /nfs/dbraw/zinc/80/14/06/1316801406.db2.gz BFQCLZXZHCMELO-OAHLLOKOSA-N 1 2 347.507 2.409 20 30 EEEDLO CC[N@@H+](Cc1cn(C(C)(C)C)nn1)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153265896 1316801408 /nfs/dbraw/zinc/80/14/08/1316801408.db2.gz BFQCLZXZHCMELO-OAHLLOKOSA-N 1 2 347.507 2.409 20 30 EEEDLO C=CCCCC(=O)NC[C@@H](C)[N@H+](CC)CC(=O)Nc1nccs1 ZINC001154957392 1317400875 /nfs/dbraw/zinc/40/08/75/1317400875.db2.gz FQRMYPINLOLAHF-CYBMUJFWSA-N 1 2 338.477 2.265 20 30 EEEDLO C=CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)Nc1nccs1 ZINC001154957392 1317400880 /nfs/dbraw/zinc/40/08/80/1317400880.db2.gz FQRMYPINLOLAHF-CYBMUJFWSA-N 1 2 338.477 2.265 20 30 EEEDLO CCCCCCCC[C@H](O)CN[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001252140263 1317561208 /nfs/dbraw/zinc/56/12/08/1317561208.db2.gz OHRIIVTWKOGQST-DLBZAZTESA-N 1 2 339.480 2.205 20 30 EEEDLO COc1c(F)cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)cc1F ZINC001206659234 1317821733 /nfs/dbraw/zinc/82/17/33/1317821733.db2.gz GRAAZEIJITUDSI-UEKVPHQBSA-N 1 2 337.370 2.070 20 30 EEEDLO COc1c(F)cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)cc1F ZINC001206659234 1317821743 /nfs/dbraw/zinc/82/17/43/1317821743.db2.gz GRAAZEIJITUDSI-UEKVPHQBSA-N 1 2 337.370 2.070 20 30 EEEDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1[C@@H]1CC[C@H](C#N)C1 ZINC001254677247 1318165668 /nfs/dbraw/zinc/16/56/68/1318165668.db2.gz RLHQKKWHRZLWLX-IPMKNSEASA-N 1 2 341.455 2.428 20 30 EEEDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1[C@@H]1CC[C@H](C#N)C1 ZINC001254677247 1318165673 /nfs/dbraw/zinc/16/56/73/1318165673.db2.gz RLHQKKWHRZLWLX-IPMKNSEASA-N 1 2 341.455 2.428 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccon1 ZINC001157648522 1318767154 /nfs/dbraw/zinc/76/71/54/1318767154.db2.gz LECLGJGJCRAOMC-NVXWUHKLSA-N 1 2 335.448 2.469 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccon1 ZINC001157648522 1318767160 /nfs/dbraw/zinc/76/71/60/1318767160.db2.gz LECLGJGJCRAOMC-NVXWUHKLSA-N 1 2 335.448 2.469 20 30 EEEDLO CSc1ccc([C@H](O)[C@H](CO)Nc2cc(CC#N)cc[nH+]2)cc1 ZINC001158221021 1319088575 /nfs/dbraw/zinc/08/85/75/1319088575.db2.gz QVUSKWXJLSEITA-RDJZCZTQSA-N 1 2 329.425 2.376 20 30 EEEDLO C=CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(F)c(F)cc1F ZINC001259043807 1319423147 /nfs/dbraw/zinc/42/31/47/1319423147.db2.gz CRYVAKARQWCPRS-JTQLQIEISA-N 1 2 334.363 2.033 20 30 EEEDLO C=CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(F)c(F)cc1F ZINC001259043807 1319423154 /nfs/dbraw/zinc/42/31/54/1319423154.db2.gz CRYVAKARQWCPRS-JTQLQIEISA-N 1 2 334.363 2.033 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N2CC([NH+]3CCCCC3)C2)c(Cl)c1 ZINC001259111047 1319446069 /nfs/dbraw/zinc/44/60/69/1319446069.db2.gz XSDKTVJYRNUSOZ-UHFFFAOYSA-N 1 2 339.848 2.070 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nocc1C ZINC001158950032 1319525002 /nfs/dbraw/zinc/52/50/02/1319525002.db2.gz YPOFBVQBHKITDF-JKSUJKDBSA-N 1 2 335.448 2.387 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nocc1C ZINC001158950032 1319525006 /nfs/dbraw/zinc/52/50/06/1319525006.db2.gz YPOFBVQBHKITDF-JKSUJKDBSA-N 1 2 335.448 2.387 20 30 EEEDLO C[C@@H](C#N)C(=O)NCCC1=CC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001159587661 1319902643 /nfs/dbraw/zinc/90/26/43/1319902643.db2.gz WFRADQHRBSTKRM-AWEZNQCLSA-N 1 2 340.402 2.495 20 30 EEEDLO C[C@@H](C#N)C(=O)NCCC1=CC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001159587661 1319902647 /nfs/dbraw/zinc/90/26/47/1319902647.db2.gz WFRADQHRBSTKRM-AWEZNQCLSA-N 1 2 340.402 2.495 20 30 EEEDLO C[C@@H](C#N)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC001159593860 1319906363 /nfs/dbraw/zinc/90/63/63/1319906363.db2.gz KMBVKWDWTILSQN-STQMWFEESA-N 1 2 343.431 2.306 20 30 EEEDLO C[C@@H](C#N)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC001159593860 1319906367 /nfs/dbraw/zinc/90/63/67/1319906367.db2.gz KMBVKWDWTILSQN-STQMWFEESA-N 1 2 343.431 2.306 20 30 EEEDLO COc1nscc1C[N@H+]1CC=C(CCNC(=O)C#CC2CC2)CC1 ZINC001160083991 1320066898 /nfs/dbraw/zinc/06/68/98/1320066898.db2.gz CROJHMPIUNRJDM-UHFFFAOYSA-N 1 2 345.468 2.204 20 30 EEEDLO COc1nscc1C[N@@H+]1CC=C(CCNC(=O)C#CC2CC2)CC1 ZINC001160083991 1320066903 /nfs/dbraw/zinc/06/69/03/1320066903.db2.gz CROJHMPIUNRJDM-UHFFFAOYSA-N 1 2 345.468 2.204 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2nc(C)no2)CC1 ZINC001160940304 1320323753 /nfs/dbraw/zinc/32/37/53/1320323753.db2.gz BRGBEQFMEXNQLG-KBPBESRZSA-N 1 2 332.448 2.475 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nc(C)no2)CC1 ZINC001160940304 1320323759 /nfs/dbraw/zinc/32/37/59/1320323759.db2.gz BRGBEQFMEXNQLG-KBPBESRZSA-N 1 2 332.448 2.475 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2ncc(C)o2)CC1 ZINC001161972817 1320702198 /nfs/dbraw/zinc/70/21/98/1320702198.db2.gz MYOMLMHWDANNFN-OAHLLOKOSA-N 1 2 333.432 2.213 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2ncc(C)o2)CC1 ZINC001161972817 1320702201 /nfs/dbraw/zinc/70/22/01/1320702201.db2.gz MYOMLMHWDANNFN-OAHLLOKOSA-N 1 2 333.432 2.213 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2nnc(C)o2)CC1 ZINC001161978502 1320705902 /nfs/dbraw/zinc/70/59/02/1320705902.db2.gz WPANMMBOXNPMSO-KGLIPLIRSA-N 1 2 348.447 2.169 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCCC1=CC[N@H+]([C@H](C)c2nnc(C)o2)CC1 ZINC001161978502 1320705904 /nfs/dbraw/zinc/70/59/04/1320705904.db2.gz WPANMMBOXNPMSO-KGLIPLIRSA-N 1 2 348.447 2.169 20 30 EEEDLO C#Cc1ccc(C(=O)NCCC[NH2+]Cc2noc(C(C)C)n2)cc1 ZINC001163733748 1321205952 /nfs/dbraw/zinc/20/59/52/1321205952.db2.gz AMZZDBXUSLIXCT-UHFFFAOYSA-N 1 2 326.400 2.084 20 30 EEEDLO COc1cc2c[nH+]c(N3CCN(CCC#N)CC3)cc2cc1OC ZINC001165056970 1321448192 /nfs/dbraw/zinc/44/81/92/1321448192.db2.gz RWHMPTCRJRJVPL-UHFFFAOYSA-N 1 2 326.400 2.288 20 30 EEEDLO C=CCOCc1nn(C)c2c1CN(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001165787953 1321584694 /nfs/dbraw/zinc/58/46/94/1321584694.db2.gz NXBAQGWQLNERML-UHFFFAOYSA-N 1 2 327.432 2.401 20 30 EEEDLO Cc1[nH+]c(N2CCC(NC(=O)C(F)(F)F)CC2)ccc1CC#N ZINC001166895714 1321812153 /nfs/dbraw/zinc/81/21/53/1321812153.db2.gz WCGIDAAHZLEYFO-UHFFFAOYSA-N 1 2 326.322 2.103 20 30 EEEDLO Cc1cc(N2CCN(c3nccnc3C#N)CC2)nc(C(C)(C)C)[nH+]1 ZINC001166921188 1321817603 /nfs/dbraw/zinc/81/76/03/1321817603.db2.gz AMXTZVMPDFJQEN-UHFFFAOYSA-N 1 2 337.431 2.071 20 30 EEEDLO Cc1ccc(C[NH+]2CC3(CCN3Cc3cc(C#N)n(C)c3)C2)c(C)n1 ZINC001276420720 1321960792 /nfs/dbraw/zinc/96/07/92/1321960792.db2.gz NMWZBUWJNISKMK-UHFFFAOYSA-N 1 2 335.455 2.369 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc4ccncc43)n2CC)CC1 ZINC001263030197 1322425016 /nfs/dbraw/zinc/42/50/16/1322425016.db2.gz JPXGTERRMNJPLY-UHFFFAOYSA-N 1 2 346.438 2.268 20 30 EEEDLO CCOC(=O)C1CCC(O)(C[N@H+](CCC#N)Cc2cccnc2)CC1 ZINC000393162748 1323352036 /nfs/dbraw/zinc/35/20/36/1323352036.db2.gz JTHBJCGTAKXLNN-UHFFFAOYSA-N 1 2 345.443 2.282 20 30 EEEDLO CCOC(=O)C1CCC(O)(C[N@@H+](CCC#N)Cc2cccnc2)CC1 ZINC000393162748 1323352042 /nfs/dbraw/zinc/35/20/42/1323352042.db2.gz JTHBJCGTAKXLNN-UHFFFAOYSA-N 1 2 345.443 2.282 20 30 EEEDLO C#CCOc1ccc(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)cc1OC ZINC001206229407 1323432490 /nfs/dbraw/zinc/43/24/90/1323432490.db2.gz KKENXEFZZGIRAA-OAHLLOKOSA-N 1 2 328.334 2.173 20 30 EEEDLO C#CCOc1ccc(C[N@H+]2CC[C@](N)(C(F)(F)F)C2)cc1OC ZINC001206229407 1323432493 /nfs/dbraw/zinc/43/24/93/1323432493.db2.gz KKENXEFZZGIRAA-OAHLLOKOSA-N 1 2 328.334 2.173 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=C)Br)C[C@H]1C ZINC001206479856 1323506654 /nfs/dbraw/zinc/50/66/54/1323506654.db2.gz YFYBOKRFVULFSW-MRVWCRGKSA-N 1 2 345.281 2.313 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=C)Br)C[C@H]1C ZINC001206479856 1323506662 /nfs/dbraw/zinc/50/66/62/1323506662.db2.gz YFYBOKRFVULFSW-MRVWCRGKSA-N 1 2 345.281 2.313 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@@H](C)c2cccs2)C[C@H]1C ZINC001206544498 1323529090 /nfs/dbraw/zinc/52/90/90/1323529090.db2.gz JZTIHGFJBZMDII-QLFBSQMISA-N 1 2 349.500 2.328 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)c2cccs2)C[C@H]1C ZINC001206544498 1323529095 /nfs/dbraw/zinc/52/90/95/1323529095.db2.gz JZTIHGFJBZMDII-QLFBSQMISA-N 1 2 349.500 2.328 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nnc(CC)o2)C[C@H]1C ZINC001206887020 1323668751 /nfs/dbraw/zinc/66/87/51/1323668751.db2.gz RQXYYFCEOJKRAH-QLFBSQMISA-N 1 2 332.448 2.323 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nnc(CC)o2)C[C@H]1C ZINC001206887020 1323668761 /nfs/dbraw/zinc/66/87/61/1323668761.db2.gz RQXYYFCEOJKRAH-QLFBSQMISA-N 1 2 332.448 2.323 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C(F)F)CC2)C1 ZINC001206972524 1323758912 /nfs/dbraw/zinc/75/89/12/1323758912.db2.gz NVLQINHZHVPBCO-PSASIEDQSA-N 1 2 337.208 2.377 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C(F)F)CC2)C1 ZINC001206972524 1323758916 /nfs/dbraw/zinc/75/89/16/1323758916.db2.gz NVLQINHZHVPBCO-PSASIEDQSA-N 1 2 337.208 2.377 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C)s2)C1 ZINC001266210001 1323776235 /nfs/dbraw/zinc/77/62/35/1323776235.db2.gz UBGPGFUEZNOOCJ-HNNXBMFYSA-N 1 2 349.500 2.220 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C)s2)C1 ZINC001266210001 1323776240 /nfs/dbraw/zinc/77/62/40/1323776240.db2.gz UBGPGFUEZNOOCJ-HNNXBMFYSA-N 1 2 349.500 2.220 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001316597770 1323975005 /nfs/dbraw/zinc/97/50/05/1323975005.db2.gz SERWOGDAXJMAHB-HUUCEWRRSA-N 1 2 348.495 2.301 20 30 EEEDLO C=CCOC[C@@H]1C[N@H+](C[C@H]2CCCCO2)Cc2nnn(CC3CC3)c21 ZINC001207959426 1324233728 /nfs/dbraw/zinc/23/37/28/1324233728.db2.gz LEOLDCDGCMNNID-DLBZAZTESA-N 1 2 346.475 2.359 20 30 EEEDLO C=CCOC[C@@H]1C[N@@H+](C[C@H]2CCCCO2)Cc2nnn(CC3CC3)c21 ZINC001207959426 1324233735 /nfs/dbraw/zinc/23/37/35/1324233735.db2.gz LEOLDCDGCMNNID-DLBZAZTESA-N 1 2 346.475 2.359 20 30 EEEDLO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@H](C)C(=O)NCCC)CCC1 ZINC001316603824 1324257949 /nfs/dbraw/zinc/25/79/49/1324257949.db2.gz KVEDTYKLFUEUSU-CVEARBPZSA-N 1 2 335.492 2.180 20 30 EEEDLO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2[C@H](C)C(=O)NCCC)CCC1 ZINC001316603824 1324257956 /nfs/dbraw/zinc/25/79/56/1324257956.db2.gz KVEDTYKLFUEUSU-CVEARBPZSA-N 1 2 335.492 2.180 20 30 EEEDLO C=CCOC[C@@H]1C[N@H+](C[C@H]2CCC=CO2)Cc2nnn(CC3CC3)c21 ZINC001208877724 1324702040 /nfs/dbraw/zinc/70/20/40/1324702040.db2.gz CANJDLLQHXYWOP-DLBZAZTESA-N 1 2 344.459 2.483 20 30 EEEDLO C=CCOC[C@@H]1C[N@@H+](C[C@H]2CCC=CO2)Cc2nnn(CC3CC3)c21 ZINC001208877724 1324702044 /nfs/dbraw/zinc/70/20/44/1324702044.db2.gz CANJDLLQHXYWOP-DLBZAZTESA-N 1 2 344.459 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C1 ZINC001210218450 1325203521 /nfs/dbraw/zinc/20/35/21/1325203521.db2.gz AVFWPPKOLCAKTM-MRVWCRGKSA-N 1 2 343.899 2.116 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C1 ZINC001210218450 1325203527 /nfs/dbraw/zinc/20/35/27/1325203527.db2.gz AVFWPPKOLCAKTM-MRVWCRGKSA-N 1 2 343.899 2.116 20 30 EEEDLO C[N@H+](CCNC(=O)c1cccc2nccnc21)Cc1ccccc1C#N ZINC001492466530 1331274673 /nfs/dbraw/zinc/27/46/73/1331274673.db2.gz KEKVVCZCZWMFFO-UHFFFAOYSA-N 1 2 345.406 2.363 20 30 EEEDLO C[N@@H+](CCNC(=O)c1cccc2nccnc21)Cc1ccccc1C#N ZINC001492466530 1331274675 /nfs/dbraw/zinc/27/46/75/1331274675.db2.gz KEKVVCZCZWMFFO-UHFFFAOYSA-N 1 2 345.406 2.363 20 30 EEEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)c1 ZINC001307653663 1331544262 /nfs/dbraw/zinc/54/42/62/1331544262.db2.gz KAGSQVSCRFGWQH-CQSZACIVSA-N 1 2 336.395 2.404 20 30 EEEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@H+](C)[C@H](C)c2cccnc2)c1 ZINC001307653663 1331544265 /nfs/dbraw/zinc/54/42/65/1331544265.db2.gz KAGSQVSCRFGWQH-CQSZACIVSA-N 1 2 336.395 2.404 20 30 EEEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c[nH+]cc2C1 ZINC001334725117 1336289224 /nfs/dbraw/zinc/28/92/24/1336289224.db2.gz FDGCKUVHDXBCTQ-HNNXBMFYSA-N 1 2 348.447 2.475 20 30 EEEDLO C=CC1CCN(c2nnc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)n2C)CC1 ZINC001338507727 1336870210 /nfs/dbraw/zinc/87/02/10/1336870210.db2.gz WMHHYDDAJAUNQL-HZPDHXFCSA-N 1 2 331.464 2.143 20 30 EEEDLO C=CC1CCN(c2nnc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)n2C)CC1 ZINC001338507727 1336870214 /nfs/dbraw/zinc/87/02/14/1336870214.db2.gz WMHHYDDAJAUNQL-HZPDHXFCSA-N 1 2 331.464 2.143 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H]2COC[C@@H]21 ZINC001338795615 1336909127 /nfs/dbraw/zinc/90/91/27/1336909127.db2.gz OIZCYZWNWDQSGG-CVEARBPZSA-N 1 2 331.464 2.065 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@H](COCC)C1 ZINC001339566259 1337030146 /nfs/dbraw/zinc/03/01/46/1337030146.db2.gz DDBKQGUVCZNSSC-MRXNPFEDSA-N 1 2 333.480 2.313 20 30 EEEDLO C=CC(C)(C)C(=O)NCC1CC([NH2+]Cc2noc(CC(C)C)n2)C1 ZINC001100570208 1338515466 /nfs/dbraw/zinc/51/54/66/1338515466.db2.gz JFQIMBQKPUIDPY-UHFFFAOYSA-N 1 2 334.464 2.465 20 30 EEEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H](OCC)C1 ZINC001355978688 1338777916 /nfs/dbraw/zinc/77/79/16/1338777916.db2.gz YFOPYAYAJHPOBB-OAHLLOKOSA-N 1 2 344.463 2.184 20 30 EEEDLO CCCCCCCCNC(=O)[C@@]1(C(=O)OC(C)(C)C)C[NH2+]CCO1 ZINC001577430166 1344149037 /nfs/dbraw/zinc/14/90/37/1344149037.db2.gz RYKTYHSKNSEEFO-GOSISDBHSA-N 1 2 342.480 2.163 20 30 EEEDLO COc1ncc(NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)cc1C#N ZINC001595367747 1349884756 /nfs/dbraw/zinc/88/47/56/1349884756.db2.gz ZQCOTQZHHOZPGM-UHFFFAOYSA-N 1 2 335.323 2.105 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H](NC(=O)CCn3cc[nH+]c3)[C@H]2C)CC1 ZINC001680485920 1357842549 /nfs/dbraw/zinc/84/25/49/1357842549.db2.gz DIQFHDUZSDFSSB-WBVHZDCISA-N 1 2 344.459 2.125 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCCC(=O)N(CC)CC)C1 ZINC001400727636 1396557959 /nfs/dbraw/zinc/55/79/59/1396557959.db2.gz BBOSVDVDLZXARI-OAHLLOKOSA-N 1 2 343.899 2.310 20 30 EEEDLO C[N@H+](CC#Cc1ccc(F)cc1)[C@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC001189420348 1368355961 /nfs/dbraw/zinc/35/59/61/1368355961.db2.gz UTHNLCGAMSWAQX-KRWDZBQOSA-N 1 2 344.430 2.325 20 30 EEEDLO C[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC001189420348 1368355970 /nfs/dbraw/zinc/35/59/70/1368355970.db2.gz UTHNLCGAMSWAQX-KRWDZBQOSA-N 1 2 344.430 2.325 20 30 EEEDLO C=CCCC(=O)N1CCC[N@H+](Cc2cnnn2-c2ccccc2)CC1 ZINC001195225718 1368511351 /nfs/dbraw/zinc/51/13/51/1368511351.db2.gz IKXZABPXTQEMER-UHFFFAOYSA-N 1 2 339.443 2.268 20 30 EEEDLO C=CCCC(=O)N1CCC[N@@H+](Cc2cnnn2-c2ccccc2)CC1 ZINC001195225718 1368511357 /nfs/dbraw/zinc/51/13/57/1368511357.db2.gz IKXZABPXTQEMER-UHFFFAOYSA-N 1 2 339.443 2.268 20 30 EEEDLO C=CCOCCCC(=O)N1CCC[N@@H+](Cc2cncc(F)c2)CC1 ZINC001195451515 1368532497 /nfs/dbraw/zinc/53/24/97/1368532497.db2.gz CACZTPAJWPXQKB-UHFFFAOYSA-N 1 2 335.423 2.238 20 30 EEEDLO C=CCOCCCC(=O)N1CCC[N@H+](Cc2cncc(F)c2)CC1 ZINC001195451515 1368532502 /nfs/dbraw/zinc/53/25/02/1368532502.db2.gz CACZTPAJWPXQKB-UHFFFAOYSA-N 1 2 335.423 2.238 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C2(CC(C)C)CCC2)CC1 ZINC001196471451 1368592056 /nfs/dbraw/zinc/59/20/56/1368592056.db2.gz YNLYQTAHULIIJC-QGZVFWFLSA-N 1 2 349.519 2.428 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C2(CC(C)C)CCC2)CC1 ZINC001196471451 1368592063 /nfs/dbraw/zinc/59/20/63/1368592063.db2.gz YNLYQTAHULIIJC-QGZVFWFLSA-N 1 2 349.519 2.428 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCC[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001110560347 1368788752 /nfs/dbraw/zinc/78/87/52/1368788752.db2.gz HYXUYZBIDDIYSS-KGLIPLIRSA-N 1 2 342.447 2.369 20 30 EEEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000852346260 1369263399 /nfs/dbraw/zinc/26/33/99/1369263399.db2.gz CHAHACSMMZXOBE-DLBZAZTESA-N 1 2 347.846 2.130 20 30 EEEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc(C3CC3)n(CCC(N)=O)c2=S)C1 ZINC000853536567 1369349087 /nfs/dbraw/zinc/34/90/87/1369349087.db2.gz DRYWABTYHIZJBJ-CYBMUJFWSA-N 1 2 349.504 2.412 20 30 EEEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc(C3CC3)n(CCC(N)=O)c2=S)C1 ZINC000853536567 1369349092 /nfs/dbraw/zinc/34/90/92/1369349092.db2.gz DRYWABTYHIZJBJ-CYBMUJFWSA-N 1 2 349.504 2.412 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001069509813 1370162430 /nfs/dbraw/zinc/16/24/30/1370162430.db2.gz CPRRCSUOMDTNPV-STQMWFEESA-N 1 2 341.390 2.360 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cn(C(C)(C)C)nn2)CC[C@@H]1C ZINC001071556580 1370523632 /nfs/dbraw/zinc/52/36/32/1370523632.db2.gz NAZPKVMWCFVLAP-QWHCGFSZSA-N 1 2 339.871 2.368 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cn(C(C)(C)C)nn2)CC[C@@H]1C ZINC001071556580 1370523636 /nfs/dbraw/zinc/52/36/36/1370523636.db2.gz NAZPKVMWCFVLAP-QWHCGFSZSA-N 1 2 339.871 2.368 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(Cl)n(C)n2)CC[C@H]1C ZINC001071667236 1370549245 /nfs/dbraw/zinc/54/92/45/1370549245.db2.gz VKLIHLJBCGCMTR-MNOVXSKESA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)n(C)n2)CC[C@H]1C ZINC001071667236 1370549251 /nfs/dbraw/zinc/54/92/51/1370549251.db2.gz VKLIHLJBCGCMTR-MNOVXSKESA-N 1 2 331.247 2.409 20 30 EEEDLO C=CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001072641347 1370770161 /nfs/dbraw/zinc/77/01/61/1370770161.db2.gz NTXODDQYHGVQTK-LSDHHAIUSA-N 1 2 340.427 2.267 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(CC)o1)C2 ZINC001072945154 1370789746 /nfs/dbraw/zinc/78/97/46/1370789746.db2.gz VHCBNNWKKLTEIA-KRWDZBQOSA-N 1 2 332.448 2.269 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](Cc1nnc(CC)o1)C2 ZINC001072945154 1370789755 /nfs/dbraw/zinc/78/97/55/1370789755.db2.gz VHCBNNWKKLTEIA-KRWDZBQOSA-N 1 2 332.448 2.269 20 30 EEEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)o1)C2 ZINC001111711159 1371229930 /nfs/dbraw/zinc/22/99/30/1371229930.db2.gz FIDSHDAGGXPGMB-YJBOKZPZSA-N 1 2 330.432 2.042 20 30 EEEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)o1)C2 ZINC001111711159 1371229933 /nfs/dbraw/zinc/22/99/33/1371229933.db2.gz FIDSHDAGGXPGMB-YJBOKZPZSA-N 1 2 330.432 2.042 20 30 EEEDLO C#Cc1ccccc1CC(=O)NCC1(Nc2cc[nH+]c(C)n2)CCC1 ZINC001111828854 1371261902 /nfs/dbraw/zinc/26/19/02/1371261902.db2.gz FSEPXXFDCQSXCQ-UHFFFAOYSA-N 1 2 334.423 2.460 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N(C)C[C@H](C)Nc2ccc(C#N)cn2)c[nH+]1 ZINC001120923829 1371838734 /nfs/dbraw/zinc/83/87/34/1371838734.db2.gz WACRFUYDNIQQJY-AWEZNQCLSA-N 1 2 340.431 2.152 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Cl)ccc3F)n2C)CC1 ZINC001121492945 1371888458 /nfs/dbraw/zinc/88/84/58/1371888458.db2.gz KUSXHJXIECUZDX-UHFFFAOYSA-N 1 2 333.798 2.030 20 30 EEEDLO C#CC[NH+]1CCN(Cc2cc(Cl)ncc2Br)CC1 ZINC001139807664 1372530225 /nfs/dbraw/zinc/53/02/25/1372530225.db2.gz GOHGISMZGXOJKV-UHFFFAOYSA-N 1 2 328.641 2.248 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)cn1 ZINC001140546921 1372600267 /nfs/dbraw/zinc/60/02/67/1372600267.db2.gz ZXFXVBSXIZIFQD-GOSISDBHSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)cn1 ZINC001140546921 1372600270 /nfs/dbraw/zinc/60/02/70/1372600270.db2.gz ZXFXVBSXIZIFQD-GOSISDBHSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccc3cc(F)ccc3n2)CC1 ZINC001141649071 1372911706 /nfs/dbraw/zinc/91/17/06/1372911706.db2.gz NNLSWDSGDZSITA-UHFFFAOYSA-N 1 2 348.385 2.358 20 30 EEEDLO Cc1noc(C)c1CN1CC[NH+](C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001364358785 1373596054 /nfs/dbraw/zinc/59/60/54/1373596054.db2.gz QDJAVATUEXHRFK-IBGZPJMESA-N 1 2 340.427 2.014 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001364358785 1373596060 /nfs/dbraw/zinc/59/60/60/1373596060.db2.gz QDJAVATUEXHRFK-IBGZPJMESA-N 1 2 340.427 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCC(=O)N(CC)CC)[C@H]1C ZINC001369435072 1374537601 /nfs/dbraw/zinc/53/76/01/1374537601.db2.gz QXHUNENVYFJZJN-HUUCEWRRSA-N 1 2 343.899 2.357 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCC(=O)N(CC)CC)[C@H]1C ZINC001369435072 1374537594 /nfs/dbraw/zinc/53/75/94/1374537594.db2.gz QXHUNENVYFJZJN-HUUCEWRRSA-N 1 2 343.899 2.357 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCC(=O)N(CC)CC)C1 ZINC001369854114 1374684008 /nfs/dbraw/zinc/68/40/08/1374684008.db2.gz MYDLJRLHWOKRPO-OAHLLOKOSA-N 1 2 343.899 2.358 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCC(=O)N(CC)CC)C1 ZINC001369854114 1374684009 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ZINC001087973304 782673305 /nfs/dbraw/zinc/67/33/05/782673305.db2.gz SIYZWTJRWROYNI-OUAUKWLOSA-N 1 2 328.737 2.420 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@@H]2C1 ZINC001087973304 782673311 /nfs/dbraw/zinc/67/33/11/782673311.db2.gz SIYZWTJRWROYNI-OUAUKWLOSA-N 1 2 328.737 2.420 20 30 EEEDLO C=CCCC(=O)N1CC(n2cc(C[NH2+]Cc3ccccc3F)nn2)C1 ZINC001105185444 769285641 /nfs/dbraw/zinc/28/56/41/769285641.db2.gz MYXNZYJNTQZZBE-UHFFFAOYSA-N 1 2 343.406 2.057 20 30 EEEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2ccc(C)o2)C1 ZINC001031534428 769440324 /nfs/dbraw/zinc/44/03/24/769440324.db2.gz ABCZEOHMWXVYBN-UHFFFAOYSA-N 1 2 339.395 2.330 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccn3C)[C@@H]2C1 ZINC001075557408 769773347 /nfs/dbraw/zinc/77/33/47/769773347.db2.gz XHDOCIRWVAYLOW-GXTWGEPZSA-N 1 2 338.249 2.080 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccn3C)[C@@H]2C1 ZINC001075557408 769773358 /nfs/dbraw/zinc/77/33/58/769773358.db2.gz XHDOCIRWVAYLOW-GXTWGEPZSA-N 1 2 338.249 2.080 20 30 EEEDLO C[C@H](c1nc2ccccc2o1)[NH+]1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001031603561 770098458 /nfs/dbraw/zinc/09/84/58/770098458.db2.gz SOWYSYMKUCCPBF-GFCCVEGCSA-N 1 2 349.394 2.450 20 30 EEEDLO Cc1cccnc1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031606800 770143298 /nfs/dbraw/zinc/14/32/98/770143298.db2.gz WPZYBJZINMCZBR-UHFFFAOYSA-N 1 2 338.386 2.263 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1CCCCO1 ZINC001031610479 770208146 /nfs/dbraw/zinc/20/81/46/770208146.db2.gz LWJNIPOGFCXTHR-GOSISDBHSA-N 1 2 346.858 2.309 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2nc(C)sc2C)C1 ZINC001031680064 770917490 /nfs/dbraw/zinc/91/74/90/770917490.db2.gz QQYDYCZSSPJFMZ-WBVHZDCISA-N 1 2 349.500 2.289 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)cs1 ZINC001027832701 773230948 /nfs/dbraw/zinc/23/09/48/773230948.db2.gz HHSNXNWSEYGQOT-CQSZACIVSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)cs1 ZINC001027832701 773230954 /nfs/dbraw/zinc/23/09/54/773230954.db2.gz HHSNXNWSEYGQOT-CQSZACIVSA-N 1 2 329.429 2.046 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3c(F)cncc3F)C2)s1 ZINC001031700216 773431406 /nfs/dbraw/zinc/43/14/06/773431406.db2.gz NYNVTROXSKFTRW-UHFFFAOYSA-N 1 2 348.378 2.155 20 30 EEEDLO CC1(C)CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)[N@H+](Cc2ccon2)C1 ZINC001089627340 773574838 /nfs/dbraw/zinc/57/48/38/773574838.db2.gz XGKDTPYCLUJFMM-OAHLLOKOSA-N 1 2 341.415 2.295 20 30 EEEDLO CC1(C)CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)[N@@H+](Cc2ccon2)C1 ZINC001089627340 773574840 /nfs/dbraw/zinc/57/48/40/773574840.db2.gz XGKDTPYCLUJFMM-OAHLLOKOSA-N 1 2 341.415 2.295 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC000938587430 774168725 /nfs/dbraw/zinc/16/87/25/774168725.db2.gz RHRULSKGESZVFL-GOEBONIOSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC000938587430 774168731 /nfs/dbraw/zinc/16/87/31/774168731.db2.gz RHRULSKGESZVFL-GOEBONIOSA-N 1 2 344.459 2.004 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccns2)C1 ZINC001087429695 774316890 /nfs/dbraw/zinc/31/68/90/774316890.db2.gz YMYATEYFYNRMNQ-HZPDHXFCSA-N 1 2 325.437 2.364 20 30 EEEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccns2)C1 ZINC001087429695 774316898 /nfs/dbraw/zinc/31/68/98/774316898.db2.gz YMYATEYFYNRMNQ-HZPDHXFCSA-N 1 2 325.437 2.364 20 30 EEEDLO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1)c1ccns1 ZINC001027914977 774335747 /nfs/dbraw/zinc/33/57/47/774335747.db2.gz ZTFMUYBLAMQBQO-MRXNPFEDSA-N 1 2 325.437 2.389 20 30 EEEDLO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1)c1ccns1 ZINC001027914977 774335754 /nfs/dbraw/zinc/33/57/54/774335754.db2.gz ZTFMUYBLAMQBQO-MRXNPFEDSA-N 1 2 325.437 2.389 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1-c1ccccn1 ZINC001027926350 774514956 /nfs/dbraw/zinc/51/49/56/774514956.db2.gz QPTKYEFXIICRJI-CYBMUJFWSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1-c1ccccn1 ZINC001027926350 774514960 /nfs/dbraw/zinc/51/49/60/774514960.db2.gz QPTKYEFXIICRJI-CYBMUJFWSA-N 1 2 345.834 2.418 20 30 EEEDLO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](O)CC#N ZINC000809571316 783193674 /nfs/dbraw/zinc/19/36/74/783193674.db2.gz NRQIZMYEVBNYCF-LLVKDONJSA-N 1 2 329.322 2.240 20 30 EEEDLO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](O)CC#N ZINC000809571316 783193678 /nfs/dbraw/zinc/19/36/78/783193678.db2.gz NRQIZMYEVBNYCF-LLVKDONJSA-N 1 2 329.322 2.240 20 30 EEEDLO Cn1cccc1C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000980715912 775301175 /nfs/dbraw/zinc/30/11/75/775301175.db2.gz WGOJSQZMBLVCBU-UHFFFAOYSA-N 1 2 340.402 2.384 20 30 EEEDLO Cn1cccc1C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000980715912 775301184 /nfs/dbraw/zinc/30/11/84/775301184.db2.gz WGOJSQZMBLVCBU-UHFFFAOYSA-N 1 2 340.402 2.384 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2ccns2)C[C@H]1OC ZINC001212321105 775704969 /nfs/dbraw/zinc/70/49/69/775704969.db2.gz RNLBEYMWPNIVOO-HZPDHXFCSA-N 1 2 335.473 2.227 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2ccns2)C[C@H]1OC ZINC001212321105 775704976 /nfs/dbraw/zinc/70/49/76/775704976.db2.gz RNLBEYMWPNIVOO-HZPDHXFCSA-N 1 2 335.473 2.227 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCCO3)CC2)cc1F ZINC000980981986 776253911 /nfs/dbraw/zinc/25/39/11/776253911.db2.gz QXKLYTNITKEMQC-GOSISDBHSA-N 1 2 345.418 2.301 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCCO3)CC2)cc1F ZINC000980981986 776253918 /nfs/dbraw/zinc/25/39/18/776253918.db2.gz QXKLYTNITKEMQC-GOSISDBHSA-N 1 2 345.418 2.301 20 30 EEEDLO N#Cc1c(F)cccc1N1CCCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001063234702 790443534 /nfs/dbraw/zinc/44/35/34/790443534.db2.gz KFXSBVDKGRDGLS-CYBMUJFWSA-N 1 2 341.390 2.138 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1)C1CC1 ZINC000981076025 776484624 /nfs/dbraw/zinc/48/46/24/776484624.db2.gz PGOSZTOCDQKFNY-LJQANCHMSA-N 1 2 344.430 2.137 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1)C1CC1 ZINC000981076025 776484629 /nfs/dbraw/zinc/48/46/29/776484629.db2.gz PGOSZTOCDQKFNY-LJQANCHMSA-N 1 2 344.430 2.137 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)[C@@H]3CC3(F)F)CC2)c1 ZINC000981115776 776526857 /nfs/dbraw/zinc/52/68/57/776526857.db2.gz CYWJRSPTDDMCLM-AWEZNQCLSA-N 1 2 337.345 2.387 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)[C@@H]3CC3(F)F)CC2)c1 ZINC000981115776 776526863 /nfs/dbraw/zinc/52/68/63/776526863.db2.gz CYWJRSPTDDMCLM-AWEZNQCLSA-N 1 2 337.345 2.387 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C#CC3CC3)CC2)cc1F ZINC000981126444 776600713 /nfs/dbraw/zinc/60/07/13/776600713.db2.gz WDFZGDKODQYWIM-UHFFFAOYSA-N 1 2 325.387 2.145 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C#CC3CC3)CC2)cc1F ZINC000981126444 776600721 /nfs/dbraw/zinc/60/07/21/776600721.db2.gz WDFZGDKODQYWIM-UHFFFAOYSA-N 1 2 325.387 2.145 20 30 EEEDLO O=C(c1cc[nH]c1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981211417 776827092 /nfs/dbraw/zinc/82/70/92/776827092.db2.gz SNAZACYZQDMERT-UHFFFAOYSA-N 1 2 325.387 2.353 20 30 EEEDLO O=C(c1cc[nH]c1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981211417 776827103 /nfs/dbraw/zinc/82/71/03/776827103.db2.gz SNAZACYZQDMERT-UHFFFAOYSA-N 1 2 325.387 2.353 20 30 EEEDLO Cc1nc(NCC[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)cc[nH+]1 ZINC001063270325 790529233 /nfs/dbraw/zinc/52/92/33/790529233.db2.gz IEOWQGDKBPDTAT-CQSZACIVSA-N 1 2 338.415 2.339 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3cccc(OC)n3)CC2)cc1 ZINC000981731469 778115857 /nfs/dbraw/zinc/11/58/57/778115857.db2.gz KJQVVCJACQFQBO-UHFFFAOYSA-N 1 2 349.434 2.420 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](Cc3cccc(OC)n3)CC2)cc1 ZINC000981731469 778115861 /nfs/dbraw/zinc/11/58/61/778115861.db2.gz KJQVVCJACQFQBO-UHFFFAOYSA-N 1 2 349.434 2.420 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H](C)Cc3cn[nH]c32)CC1 ZINC000981814508 778241579 /nfs/dbraw/zinc/24/15/79/778241579.db2.gz HQVLZASUEDHTOP-IUODEOHRSA-N 1 2 336.867 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H](C)Cc3cn[nH]c32)CC1 ZINC000981814508 778241584 /nfs/dbraw/zinc/24/15/84/778241584.db2.gz HQVLZASUEDHTOP-IUODEOHRSA-N 1 2 336.867 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cncc(N2CCCC2)n1 ZINC001028184556 778753614 /nfs/dbraw/zinc/75/36/14/778753614.db2.gz MCKVLCICONMLAV-CQSZACIVSA-N 1 2 349.866 2.024 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cncc(N2CCCC2)n1 ZINC001028184556 778753621 /nfs/dbraw/zinc/75/36/21/778753621.db2.gz MCKVLCICONMLAV-CQSZACIVSA-N 1 2 349.866 2.024 20 30 EEEDLO Cc1cc(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)nc(C)n1 ZINC000982205547 779270875 /nfs/dbraw/zinc/27/08/75/779270875.db2.gz YHUQZDPFJDZOPP-UHFFFAOYSA-N 1 2 348.450 2.293 20 30 EEEDLO Cc1cc(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)nc(C)n1 ZINC000982205547 779270880 /nfs/dbraw/zinc/27/08/80/779270880.db2.gz YHUQZDPFJDZOPP-UHFFFAOYSA-N 1 2 348.450 2.293 20 30 EEEDLO Cc1nc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)cs1 ZINC001031920962 779719648 /nfs/dbraw/zinc/71/96/48/779719648.db2.gz UQVXLRGVAMMUEY-UHFFFAOYSA-N 1 2 343.427 2.304 20 30 EEEDLO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(-c4ccccc4)[nH]n3)C[C@@]2(C)C1 ZINC000982352289 779839776 /nfs/dbraw/zinc/83/97/76/779839776.db2.gz GMPKIMZHQKNVNL-OYRHEFFESA-N 1 2 348.450 2.494 20 30 EEEDLO N#Cc1cccnc1N1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893916032 780303875 /nfs/dbraw/zinc/30/38/75/780303875.db2.gz COTVWGOENWICDU-UHFFFAOYSA-N 1 2 330.338 2.259 20 30 EEEDLO CCCCCCCCC(=O)N1CC(n2cc(C[NH2+]CCF)nn2)C1 ZINC001105366609 780850486 /nfs/dbraw/zinc/85/04/86/780850486.db2.gz ZWILJVAPDVESNI-UHFFFAOYSA-N 1 2 339.459 2.471 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(C)c3)[C@@H]2C1 ZINC001075683705 781088351 /nfs/dbraw/zinc/08/83/51/781088351.db2.gz HWWHHMGEEZWQJB-GXTWGEPZSA-N 1 2 338.249 2.080 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(C)c3)[C@@H]2C1 ZINC001075683705 781088358 /nfs/dbraw/zinc/08/83/58/781088358.db2.gz HWWHHMGEEZWQJB-GXTWGEPZSA-N 1 2 338.249 2.080 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CC(C)(C)C ZINC001211867332 781579432 /nfs/dbraw/zinc/57/94/32/781579432.db2.gz QKRBOQQROBLWNL-HUUCEWRRSA-N 1 2 335.473 2.371 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CC(C)(C)C ZINC001211867332 781579437 /nfs/dbraw/zinc/57/94/37/781579437.db2.gz QKRBOQQROBLWNL-HUUCEWRRSA-N 1 2 335.473 2.371 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)no2)C[C@H]1C ZINC000942123221 781772656 /nfs/dbraw/zinc/77/26/56/781772656.db2.gz RKJSELFEXJRUCW-HIFRSBDPSA-N 1 2 343.431 2.006 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2nc(C)no2)C[C@H]1C ZINC000942123221 781772666 /nfs/dbraw/zinc/77/26/66/781772666.db2.gz RKJSELFEXJRUCW-HIFRSBDPSA-N 1 2 343.431 2.006 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001032049991 783264311 /nfs/dbraw/zinc/26/43/11/783264311.db2.gz FEASGMZKYGUHOL-UHFFFAOYSA-N 1 2 330.819 2.491 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCCCC[C@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001088281462 783352403 /nfs/dbraw/zinc/35/24/03/783352403.db2.gz NMYSRGJNODHUSH-ZFWWWQNUSA-N 1 2 345.447 2.043 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nccn2CC)C1 ZINC001131939001 783495591 /nfs/dbraw/zinc/49/55/91/783495591.db2.gz MTKRSASHDIDKOH-IRXDYDNUSA-N 1 2 348.491 2.355 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nccn2CC)C1 ZINC001131939001 783495597 /nfs/dbraw/zinc/49/55/97/783495597.db2.gz MTKRSASHDIDKOH-IRXDYDNUSA-N 1 2 348.491 2.355 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccncc2Cl)C1 ZINC001131945804 783507515 /nfs/dbraw/zinc/50/75/15/783507515.db2.gz BCXCGPKTFVQQFJ-ZFWWWQNUSA-N 1 2 337.851 2.407 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccncc2Cl)C1 ZINC001131945804 783507522 /nfs/dbraw/zinc/50/75/22/783507522.db2.gz BCXCGPKTFVQQFJ-ZFWWWQNUSA-N 1 2 337.851 2.407 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001035527381 784677223 /nfs/dbraw/zinc/67/72/23/784677223.db2.gz WPGHGBAVZCKGPA-RTBURBONSA-N 1 2 328.456 2.185 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001035527381 784677231 /nfs/dbraw/zinc/67/72/31/784677231.db2.gz WPGHGBAVZCKGPA-RTBURBONSA-N 1 2 328.456 2.185 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(O[C@@H](C)CC)cc2)C1 ZINC001035566332 784693366 /nfs/dbraw/zinc/69/33/66/784693366.db2.gz CNNBFIKWXCTRNX-YJBOKZPZSA-N 1 2 332.444 2.481 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(O[C@@H](C)CC)cc2)C1 ZINC001035566332 784693369 /nfs/dbraw/zinc/69/33/69/784693369.db2.gz CNNBFIKWXCTRNX-YJBOKZPZSA-N 1 2 332.444 2.481 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnn(CCCC)c2CC)C1 ZINC001035571998 784705717 /nfs/dbraw/zinc/70/57/17/784705717.db2.gz OCYRZKWKDHKSAN-MRXNPFEDSA-N 1 2 348.491 2.252 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnn(CCCC)c2CC)C1 ZINC001035571998 784705721 /nfs/dbraw/zinc/70/57/21/784705721.db2.gz OCYRZKWKDHKSAN-MRXNPFEDSA-N 1 2 348.491 2.252 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC001035564600 784742045 /nfs/dbraw/zinc/74/20/45/784742045.db2.gz XTKQGHPZOWVXJU-HNNXBMFYSA-N 1 2 327.428 2.401 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC001035564600 784742049 /nfs/dbraw/zinc/74/20/49/784742049.db2.gz XTKQGHPZOWVXJU-HNNXBMFYSA-N 1 2 327.428 2.401 20 30 EEEDLO Cc1nn(C)c(C)c1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032549419 791052335 /nfs/dbraw/zinc/05/23/35/791052335.db2.gz GQPMNXBZTZNOGG-ROUUACIJSA-N 1 2 349.438 2.008 20 30 EEEDLO Cc1nn(C)c(C)c1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032549419 791052349 /nfs/dbraw/zinc/05/23/49/791052349.db2.gz GQPMNXBZTZNOGG-ROUUACIJSA-N 1 2 349.438 2.008 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2csc3c2CC[C@H](C)C3)C1 ZINC001035602339 784762987 /nfs/dbraw/zinc/76/29/87/784762987.db2.gz ZRIIJCZFSOXMJS-GJZGRUSLSA-N 1 2 346.496 2.327 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2csc3c2CC[C@H](C)C3)C1 ZINC001035602339 784762989 /nfs/dbraw/zinc/76/29/89/784762989.db2.gz ZRIIJCZFSOXMJS-GJZGRUSLSA-N 1 2 346.496 2.327 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(OC3CCC3)cc2)C1 ZINC001035612432 784849633 /nfs/dbraw/zinc/84/96/33/784849633.db2.gz ZGZXQCVAQSHREF-GOSISDBHSA-N 1 2 330.428 2.235 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(OC3CCC3)cc2)C1 ZINC001035612432 784849642 /nfs/dbraw/zinc/84/96/42/784849642.db2.gz ZGZXQCVAQSHREF-GOSISDBHSA-N 1 2 330.428 2.235 20 30 EEEDLO C=CCCCC(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001067512947 785767084 /nfs/dbraw/zinc/76/70/84/785767084.db2.gz BSYXKBHONHQMCB-HNNXBMFYSA-N 1 2 334.464 2.252 20 30 EEEDLO C=CCCCC(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001067512947 785767102 /nfs/dbraw/zinc/76/71/02/785767102.db2.gz BSYXKBHONHQMCB-HNNXBMFYSA-N 1 2 334.464 2.252 20 30 EEEDLO C=CCCCC(=O)N(C)CCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001067512948 785768040 /nfs/dbraw/zinc/76/80/40/785768040.db2.gz BSYXKBHONHQMCB-OAHLLOKOSA-N 1 2 334.464 2.252 20 30 EEEDLO C=CCCCC(=O)N(C)CCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001067512948 785768043 /nfs/dbraw/zinc/76/80/43/785768043.db2.gz BSYXKBHONHQMCB-OAHLLOKOSA-N 1 2 334.464 2.252 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001078995611 785931958 /nfs/dbraw/zinc/93/19/58/785931958.db2.gz VCNFBDYEXGCEKA-SJORKVTESA-N 1 2 346.475 2.325 20 30 EEEDLO C[C@@H]1CC(N=Nc2oc(C(C)(C)C)nc2-c2nn[nH]n2)C[N@@H+]1C1CC1 ZINC000820643004 786001711 /nfs/dbraw/zinc/00/17/11/786001711.db2.gz ONPKACUTOUKWLJ-SECBINFHSA-N 1 2 344.423 2.177 20 30 EEEDLO C[C@@H]1CC(N=Nc2oc(C(C)(C)C)nc2-c2nn[nH]n2)C[N@H+]1C1CC1 ZINC000820643004 786001720 /nfs/dbraw/zinc/00/17/20/786001720.db2.gz ONPKACUTOUKWLJ-SECBINFHSA-N 1 2 344.423 2.177 20 30 EEEDLO O=C(NCC[NH2+]CC#Cc1cccc(Cl)c1)C(F)C(F)(F)F ZINC001127731357 786207106 /nfs/dbraw/zinc/20/71/06/786207106.db2.gz NVSUIOHSWPYKEL-GFCCVEGCSA-N 1 2 336.716 2.298 20 30 EEEDLO O=C(NCC[NH2+]CC#Cc1cccc(Cl)c1)[C@@H](F)C(F)(F)F ZINC001127731357 786207110 /nfs/dbraw/zinc/20/71/10/786207110.db2.gz NVSUIOHSWPYKEL-GFCCVEGCSA-N 1 2 336.716 2.298 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@H]3CC[C@@H](C)C3)nn2)C1 ZINC001107192305 786314274 /nfs/dbraw/zinc/31/42/74/786314274.db2.gz FZMAQNAMLFAEJD-CABCVRRESA-N 1 2 331.464 2.153 20 30 EEEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)CCC(C)(C)C)nn2)C1 ZINC001107229353 786563023 /nfs/dbraw/zinc/56/30/23/786563023.db2.gz IECVDOZPDIZIHP-OAHLLOKOSA-N 1 2 345.491 2.237 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CCCC[C@H]3C)nn2)C1 ZINC001107241536 786567495 /nfs/dbraw/zinc/56/74/95/786567495.db2.gz YKPPEKXQSPBQSW-CABCVRRESA-N 1 2 331.464 2.153 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2CC[NH+](Cc3nc(C)no3)CC2)cc1 ZINC001005805978 786730844 /nfs/dbraw/zinc/73/08/44/786730844.db2.gz SZECAVYPXZYDIN-UHFFFAOYSA-N 1 2 338.411 2.096 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc(OCC)c2)[C@H](O)C1 ZINC001090601245 787208545 /nfs/dbraw/zinc/20/85/45/787208545.db2.gz PIKQVUFHATUGAE-HZPDHXFCSA-N 1 2 338.835 2.003 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(OCC)c2)[C@H](O)C1 ZINC001090601245 787208552 /nfs/dbraw/zinc/20/85/52/787208552.db2.gz PIKQVUFHATUGAE-HZPDHXFCSA-N 1 2 338.835 2.003 20 30 EEEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(-c2ccccc2)no1 ZINC001032318135 787220970 /nfs/dbraw/zinc/22/09/70/787220970.db2.gz HEEMVCCOFWRQGH-BPUTZDHNSA-N 1 2 336.395 2.286 20 30 EEEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(-c2ccccc2)no1 ZINC001032318135 787220978 /nfs/dbraw/zinc/22/09/78/787220978.db2.gz HEEMVCCOFWRQGH-BPUTZDHNSA-N 1 2 336.395 2.286 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC/C=C/CNc1[nH+]cnc2c1cnn2C ZINC001107464767 787316748 /nfs/dbraw/zinc/31/67/48/787316748.db2.gz XNHGDFCQOQWBOP-KTRBRXNASA-N 1 2 328.420 2.050 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001062135271 787447078 /nfs/dbraw/zinc/44/70/78/787447078.db2.gz JBIVCYCDDRGFKH-QGZVFWFLSA-N 1 2 348.450 2.294 20 30 EEEDLO CN(CCCNc1ncc(C#N)cc1Cl)C(=O)CCc1c[nH]c[nH+]1 ZINC001109652948 805829953 /nfs/dbraw/zinc/82/99/53/805829953.db2.gz IRHSXBULXVSJNK-UHFFFAOYSA-N 1 2 346.822 2.223 20 30 EEEDLO CN(CCCNc1ncc(C#N)cc1Cl)C(=O)CCc1c[nH+]c[nH]1 ZINC001109652948 805829964 /nfs/dbraw/zinc/82/99/64/805829964.db2.gz IRHSXBULXVSJNK-UHFFFAOYSA-N 1 2 346.822 2.223 20 30 EEEDLO C[C@]1(CNC(=O)C2CCCC2)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107680190 788039860 /nfs/dbraw/zinc/03/98/60/788039860.db2.gz QQGZAEJMAYCTDG-FQEVSTJZSA-N 1 2 341.455 2.456 20 30 EEEDLO C[C@]1(CNC(=O)C2CCCC2)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107680190 788039867 /nfs/dbraw/zinc/03/98/67/788039867.db2.gz QQGZAEJMAYCTDG-FQEVSTJZSA-N 1 2 341.455 2.456 20 30 EEEDLO CCCCC(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107744620 788216535 /nfs/dbraw/zinc/21/65/35/788216535.db2.gz HENVAIGGARCOSE-IBGZPJMESA-N 1 2 329.444 2.456 20 30 EEEDLO CCCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107744620 788216540 /nfs/dbraw/zinc/21/65/40/788216540.db2.gz HENVAIGGARCOSE-IBGZPJMESA-N 1 2 329.444 2.456 20 30 EEEDLO CS[C@@H](C)C(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107764290 788285691 /nfs/dbraw/zinc/28/56/91/788285691.db2.gz VBJDEARQFNOCEA-KSSFIOAISA-N 1 2 347.484 2.017 20 30 EEEDLO CS[C@@H](C)C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107764290 788285696 /nfs/dbraw/zinc/28/56/96/788285696.db2.gz VBJDEARQFNOCEA-KSSFIOAISA-N 1 2 347.484 2.017 20 30 EEEDLO CCc1nc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)co1 ZINC001032366915 788446816 /nfs/dbraw/zinc/44/68/16/788446816.db2.gz ZDUALRQNGOWGGJ-HOTGVXAUSA-N 1 2 336.395 2.208 20 30 EEEDLO CCc1nc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)co1 ZINC001032366915 788446818 /nfs/dbraw/zinc/44/68/18/788446818.db2.gz ZDUALRQNGOWGGJ-HOTGVXAUSA-N 1 2 336.395 2.208 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)CCC)C1 ZINC001109696632 805879416 /nfs/dbraw/zinc/87/94/16/805879416.db2.gz IGWNBFLYGQNIHK-NCOADZHNSA-N 1 2 347.503 2.369 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)CCC)C1 ZINC001109696632 805879428 /nfs/dbraw/zinc/87/94/28/805879428.db2.gz IGWNBFLYGQNIHK-NCOADZHNSA-N 1 2 347.503 2.369 20 30 EEEDLO C=CC[N@H+]1C[C@H](NC(=O)C(F)C(F)(F)F)CC2(CCOCC2)C1 ZINC001099581098 788619411 /nfs/dbraw/zinc/61/94/11/788619411.db2.gz KMGPAOREJAJXLK-VXGBXAGGSA-N 1 2 338.345 2.060 20 30 EEEDLO C=CC[N@@H+]1C[C@H](NC(=O)C(F)C(F)(F)F)CC2(CCOCC2)C1 ZINC001099581098 788619418 /nfs/dbraw/zinc/61/94/18/788619418.db2.gz KMGPAOREJAJXLK-VXGBXAGGSA-N 1 2 338.345 2.060 20 30 EEEDLO C[C@@]1(CNC(=O)CC2CCC2)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107841058 788707294 /nfs/dbraw/zinc/70/72/94/788707294.db2.gz HFKFTRDZYPZTGF-HXUWFJFHSA-N 1 2 341.455 2.456 20 30 EEEDLO C[C@@]1(CNC(=O)CC2CCC2)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107841058 788707299 /nfs/dbraw/zinc/70/72/99/788707299.db2.gz HFKFTRDZYPZTGF-HXUWFJFHSA-N 1 2 341.455 2.456 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)c2conc2C)CC1 ZINC001005920055 788825113 /nfs/dbraw/zinc/82/51/13/788825113.db2.gz HZBKWPYFESMOEI-UHFFFAOYSA-N 1 2 342.237 2.428 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1OC ZINC001090917888 788974616 /nfs/dbraw/zinc/97/46/16/788974616.db2.gz BVTZMCPZRFDENZ-HZPDHXFCSA-N 1 2 346.475 2.324 20 30 EEEDLO C#CCCCC(=O)NC[C@]1(C)C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC001107901459 789190802 /nfs/dbraw/zinc/19/08/02/789190802.db2.gz QETPPIFDWGQTBJ-LJQANCHMSA-N 1 2 332.419 2.336 20 30 EEEDLO C#CCCCC(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC001107901459 789190805 /nfs/dbraw/zinc/19/08/05/789190805.db2.gz QETPPIFDWGQTBJ-LJQANCHMSA-N 1 2 332.419 2.336 20 30 EEEDLO COc1ccc(NC(=O)[C@@H](C#N)C(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000845443677 789780407 /nfs/dbraw/zinc/78/04/07/789780407.db2.gz RXVXRGRTLVTHCJ-WFASDCNBSA-N 1 2 326.356 2.190 20 30 EEEDLO Cc1nc(NC[C@H](NC(=O)[C@H](C)C#N)C2CC2)c2c([nH+]1)CCCC2 ZINC001109796115 806003441 /nfs/dbraw/zinc/00/34/41/806003441.db2.gz OUXFOMXUPMRHPV-BZNIZROVSA-N 1 2 327.432 2.130 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1O ZINC001091169967 789966612 /nfs/dbraw/zinc/96/66/12/789966612.db2.gz NXUAQLLOVNNXAJ-OAGGEKHMSA-N 1 2 346.475 2.176 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](CCOc2cccc(C)c2)C1 ZINC001030332343 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C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000998014957 791841092 /nfs/dbraw/zinc/84/10/92/791841092.db2.gz MBGUZJFXKCEYOL-CVEARBPZSA-N 1 2 328.460 2.166 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000998014957 791841095 /nfs/dbraw/zinc/84/10/95/791841095.db2.gz MBGUZJFXKCEYOL-CVEARBPZSA-N 1 2 328.460 2.166 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC1(CNC(=O)CCc2c[nH+]cn2C)CCC1 ZINC001063983531 792060229 /nfs/dbraw/zinc/06/02/29/792060229.db2.gz MGMUNUJVXWPYDA-OAHLLOKOSA-N 1 2 346.475 2.110 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nccn1CC)C2 ZINC001148138088 792183551 /nfs/dbraw/zinc/18/35/51/792183551.db2.gz NRJHFMIIVYYAID-CVEARBPZSA-N 1 2 330.476 2.396 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nccn1CC)C2 ZINC001148138088 792183556 /nfs/dbraw/zinc/18/35/56/792183556.db2.gz NRJHFMIIVYYAID-CVEARBPZSA-N 1 2 330.476 2.396 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C)cn1)C2 ZINC001148147007 792187276 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20 30 EEEDLO C=CCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001080506992 796090052 /nfs/dbraw/zinc/09/00/52/796090052.db2.gz RVQAGQDQQHGIOU-OAHLLOKOSA-N 1 2 344.459 2.245 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnnc3ccccc32)C1 ZINC001080511026 796095384 /nfs/dbraw/zinc/09/53/84/796095384.db2.gz DKMZDRAKIBBJON-BDJLRTHQSA-N 1 2 330.819 2.432 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnnc3ccccc32)C1 ZINC001080511026 796095390 /nfs/dbraw/zinc/09/53/90/796095390.db2.gz DKMZDRAKIBBJON-BDJLRTHQSA-N 1 2 330.819 2.432 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ccc(C(F)F)cc3)nn2)C1 ZINC001094325371 796132596 /nfs/dbraw/zinc/13/25/96/796132596.db2.gz LLAHSQJTPKGXHT-UHFFFAOYSA-N 1 2 347.369 2.188 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001078308204 796254146 /nfs/dbraw/zinc/25/41/46/796254146.db2.gz YZYTVRIGLQRPRR-KBPBESRZSA-N 1 2 346.475 2.443 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C(C)(C)C3CCCC3)CC2=O)C1 ZINC001094745732 796558465 /nfs/dbraw/zinc/55/84/65/796558465.db2.gz KYRHNTDUIHSXCE-MRXNPFEDSA-N 1 2 347.503 2.180 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2Cc3cccc(C)c3O2)C1 ZINC001081069557 796585162 /nfs/dbraw/zinc/58/51/62/796585162.db2.gz HIRCSGGORHTIFO-WQVCFCJDSA-N 1 2 334.847 2.488 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2Cc3cccc(C)c3O2)C1 ZINC001081069557 796585169 /nfs/dbraw/zinc/58/51/69/796585169.db2.gz HIRCSGGORHTIFO-WQVCFCJDSA-N 1 2 334.847 2.488 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3ccc(C(C)C)cc3)CC2=O)C1 ZINC001094808807 796604647 /nfs/dbraw/zinc/60/46/47/796604647.db2.gz NPIFNZCCUONGKT-KRWDZBQOSA-N 1 2 341.455 2.011 20 30 EEEDLO C=C(Cl)CN1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC000993519523 796777337 /nfs/dbraw/zinc/77/73/37/796777337.db2.gz KPNZYLHMBLGMBF-OCCSQVGLSA-N 1 2 340.855 2.071 20 30 EEEDLO Cc1nnccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)[C@H]1C ZINC000993546983 796798621 /nfs/dbraw/zinc/79/86/21/796798621.db2.gz 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C=CCCC(=O)N[C@H](C)c1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001060616889 797058542 /nfs/dbraw/zinc/05/85/42/797058542.db2.gz ZFVLGVXGQYMUCZ-CQSZACIVSA-N 1 2 340.427 2.412 20 30 EEEDLO N#CCN[C@H](C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C1CCCC1 ZINC001098848413 797075532 /nfs/dbraw/zinc/07/55/32/797075532.db2.gz AJDVWEUYMAQECY-FUHWJXTLSA-N 1 2 343.475 2.184 20 30 EEEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C ZINC001082027231 797125384 /nfs/dbraw/zinc/12/53/84/797125384.db2.gz SIVWBUBDUHIQAZ-BNEJOLLZSA-N 1 2 346.858 2.163 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]1C ZINC001082027231 797125386 /nfs/dbraw/zinc/12/53/86/797125386.db2.gz SIVWBUBDUHIQAZ-BNEJOLLZSA-N 1 2 346.858 2.163 20 30 EEEDLO COc1ccc(CN2CC[C@H]([N@@H+]3CCC[C@H]3C#N)CC2=O)c(OC)c1 ZINC001173026925 797200227 /nfs/dbraw/zinc/20/02/27/797200227.db2.gz KVZTYSWQXLRYSH-HOTGVXAUSA-N 1 2 343.427 2.183 20 30 EEEDLO COc1ccc(CN2CC[C@H]([N@H+]3CCC[C@H]3C#N)CC2=O)c(OC)c1 ZINC001173026925 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336.867 2.244 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2c3c(nn2C)CCC3)[C@@H]1C ZINC000994212464 797394367 /nfs/dbraw/zinc/39/43/67/797394367.db2.gz PSMCGBCFCBTWLH-JSGCOSHPSA-N 1 2 336.867 2.244 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn(C)nc2Cl)[C@@H]1C ZINC000994220370 797399247 /nfs/dbraw/zinc/39/92/47/797399247.db2.gz NUTHTLYPWUJMOT-JQWIXIFHSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C)nc2Cl)[C@@H]1C ZINC000994220370 797399254 /nfs/dbraw/zinc/39/92/54/797399254.db2.gz NUTHTLYPWUJMOT-JQWIXIFHSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001082320505 797448765 /nfs/dbraw/zinc/44/87/65/797448765.db2.gz XAJKJVDYTKMWGY-HOCLYGCPSA-N 1 2 332.448 2.052 20 30 EEEDLO Cc1cc(C#N)c(Nc2cnn(CC[NH+]3CCOCC3)c2)cc1F ZINC001174494306 797770730 /nfs/dbraw/zinc/77/07/30/797770730.db2.gz SUJAPVWTZCUIEO-UHFFFAOYSA-N 1 2 329.379 2.278 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@H+](Cc2ccon2)[C@@H]1C ZINC000994294390 797776710 /nfs/dbraw/zinc/77/67/10/797776710.db2.gz FEYUADHQVPTTAW-BEFAXECRSA-N 1 2 337.423 2.368 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccon2)[C@@H]1C ZINC000994294390 797776712 /nfs/dbraw/zinc/77/67/12/797776712.db2.gz FEYUADHQVPTTAW-BEFAXECRSA-N 1 2 337.423 2.368 20 30 EEEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@H+](Cc4cncs4)C[C@@H]32)CC1 ZINC001083184204 797930484 /nfs/dbraw/zinc/93/04/84/797930484.db2.gz YIDQMDJGHQAOFF-DLBZAZTESA-N 1 2 347.484 2.301 20 30 EEEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4cncs4)C[C@@H]32)CC1 ZINC001083184204 797930487 /nfs/dbraw/zinc/93/04/87/797930487.db2.gz YIDQMDJGHQAOFF-DLBZAZTESA-N 1 2 347.484 2.301 20 30 EEEDLO CS[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084196483 798047184 /nfs/dbraw/zinc/04/71/84/798047184.db2.gz LBAFJMBYBLLNFP-SRCQZFHVSA-N 1 2 347.459 2.482 20 30 EEEDLO CS[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001084196483 798047189 /nfs/dbraw/zinc/04/71/89/798047189.db2.gz 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ZINC001084604768 798304074 /nfs/dbraw/zinc/30/40/74/798304074.db2.gz ROPHHESGTQLLCK-ZIAGYGMSSA-N 1 2 335.835 2.300 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](Cc4cccnc4OC)C[C@H]32)C1 ZINC001084645713 798336483 /nfs/dbraw/zinc/33/64/83/798336483.db2.gz AYODMUMEOVKTQT-NVXWUHKLSA-N 1 2 341.455 2.479 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](Cc4cccnc4OC)C[C@H]32)C1 ZINC001084645713 798336490 /nfs/dbraw/zinc/33/64/90/798336490.db2.gz AYODMUMEOVKTQT-NVXWUHKLSA-N 1 2 341.455 2.479 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(CC)nn3)[C@H]2C1 ZINC001085024222 798617313 /nfs/dbraw/zinc/61/73/13/798617313.db2.gz DVLJKRLNFPBPKW-HHXXYDBFSA-N 1 2 345.491 2.323 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(CC)nn3)[C@H]2C1 ZINC001085024222 798617316 /nfs/dbraw/zinc/61/73/16/798617316.db2.gz DVLJKRLNFPBPKW-HHXXYDBFSA-N 1 2 345.491 2.323 20 30 EEEDLO C#CCCOc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](CC)[C@@H]3C2)cc1 ZINC001177013255 798695449 /nfs/dbraw/zinc/69/54/49/798695449.db2.gz QJMWYQPEJXGBAX-MOPGFXCFSA-N 1 2 342.439 2.024 20 30 EEEDLO C#CCCOc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](CC)[C@@H]3C2)cc1 ZINC001177013255 798695452 /nfs/dbraw/zinc/69/54/52/798695452.db2.gz QJMWYQPEJXGBAX-MOPGFXCFSA-N 1 2 342.439 2.024 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCC(F)(F)F)C[C@H]21 ZINC001177100571 798749636 /nfs/dbraw/zinc/74/96/36/798749636.db2.gz GCIAJROFEJUAOV-KGLIPLIRSA-N 1 2 332.366 2.044 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCC(F)(F)F)C[C@H]21 ZINC001177100571 798749638 /nfs/dbraw/zinc/74/96/38/798749638.db2.gz GCIAJROFEJUAOV-KGLIPLIRSA-N 1 2 332.366 2.044 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCCCCOCC)C[C@@H]21 ZINC001177156994 798780428 /nfs/dbraw/zinc/78/04/28/798780428.db2.gz OZYCEADZYAVOQP-ROUUACIJSA-N 1 2 338.492 2.461 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCCCCOCC)C[C@@H]21 ZINC001177156994 798780430 /nfs/dbraw/zinc/78/04/30/798780430.db2.gz OZYCEADZYAVOQP-ROUUACIJSA-N 1 2 338.492 2.461 20 30 EEEDLO N#CCOc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cncs2)cc1 ZINC001038085964 798860778 /nfs/dbraw/zinc/86/07/78/798860778.db2.gz FTDHUIPGLOKGAW-AWEZNQCLSA-N 1 2 342.424 2.050 20 30 EEEDLO N#CCOc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cncs2)cc1 ZINC001038085964 798860785 /nfs/dbraw/zinc/86/07/85/798860785.db2.gz FTDHUIPGLOKGAW-AWEZNQCLSA-N 1 2 342.424 2.050 20 30 EEEDLO C[C@@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCN(c2ccc(C#N)nc2)C1 ZINC001065357972 798949342 /nfs/dbraw/zinc/94/93/42/798949342.db2.gz UNRLVIUOJPIKSG-LJQANCHMSA-N 1 2 346.394 2.228 20 30 EEEDLO N#Cc1cc(N)c(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)cc1C#N ZINC001177623263 799053702 /nfs/dbraw/zinc/05/37/02/799053702.db2.gz ZZTPSMMZYORBNY-KRWDZBQOSA-N 1 2 335.367 2.208 20 30 EEEDLO N#Cc1cc(N)c(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)cc1C#N ZINC001177623263 799053710 /nfs/dbraw/zinc/05/37/10/799053710.db2.gz ZZTPSMMZYORBNY-KRWDZBQOSA-N 1 2 335.367 2.208 20 30 EEEDLO CCCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)c2[nH]ncc2F)C1 ZINC001108196174 799134743 /nfs/dbraw/zinc/13/47/43/799134743.db2.gz UGYAFKKMMVVKPK-QGZVFWFLSA-N 1 2 340.443 2.340 20 30 EEEDLO CCCCCCC[N@H+]1CCO[C@](C)(CNC(=O)c2[nH]ncc2F)C1 ZINC001108196174 799134746 /nfs/dbraw/zinc/13/47/46/799134746.db2.gz UGYAFKKMMVVKPK-QGZVFWFLSA-N 1 2 340.443 2.340 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C=C(C)C)C2)CC1 ZINC001065682564 799339452 /nfs/dbraw/zinc/33/94/52/799339452.db2.gz JPMGSCVMSZMJBI-QGZVFWFLSA-N 1 2 333.476 2.054 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H](C)CC)CC2)C1 ZINC001065704559 799351159 /nfs/dbraw/zinc/35/11/59/799351159.db2.gz NDJOBZRMQWSZJP-DLBZAZTESA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@H](C)CCC)CC2)C1 ZINC001065691730 799366814 /nfs/dbraw/zinc/36/68/14/799366814.db2.gz LMLDINKHBVRXHI-IAGOWNOFSA-N 1 2 335.492 2.134 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC3(C)C)C2)CC1 ZINC001065700530 799389663 /nfs/dbraw/zinc/38/96/63/799389663.db2.gz UHCLIXIELFSZTA-DLBZAZTESA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C3(C)CCC3)CC2)C1 ZINC001065713408 799414711 /nfs/dbraw/zinc/41/47/11/799414711.db2.gz RPXMUBCVFZVZCO-QGZVFWFLSA-N 1 2 347.503 2.278 20 30 EEEDLO CCc1nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)[C@@H](C)C#N)cc(C)[nH+]1 ZINC001066122647 800041292 /nfs/dbraw/zinc/04/12/92/800041292.db2.gz JXWCPLOGLKIJGP-NWANDNLSSA-N 1 2 327.432 2.077 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCc1cnn2c1C[N@H+](C[C@@H](CC)OC)CC2 ZINC001128480708 800066347 /nfs/dbraw/zinc/06/63/47/800066347.db2.gz FVKOHAQACMGYQD-APWZRJJASA-N 1 2 348.491 2.342 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCc1cnn2c1C[N@@H+](C[C@@H](CC)OC)CC2 ZINC001128480708 800066354 /nfs/dbraw/zinc/06/63/54/800066354.db2.gz FVKOHAQACMGYQD-APWZRJJASA-N 1 2 348.491 2.342 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001066205684 800195886 /nfs/dbraw/zinc/19/58/86/800195886.db2.gz WKVRNIKMEDHCFS-MRXNPFEDSA-N 1 2 344.459 2.218 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)on1 ZINC001032899629 800310520 /nfs/dbraw/zinc/31/05/20/800310520.db2.gz KYTMYBISVKPRBM-OAHLLOKOSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)on1 ZINC001032899629 800310524 /nfs/dbraw/zinc/31/05/24/800310524.db2.gz KYTMYBISVKPRBM-OAHLLOKOSA-N 1 2 342.374 2.340 20 30 EEEDLO C[C@@]1(C(=O)NC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)CCOC1 ZINC001003857693 800341947 /nfs/dbraw/zinc/34/19/47/800341947.db2.gz UNVSULSFGLZFRM-LJQANCHMSA-N 1 2 345.418 2.205 20 30 EEEDLO Cc1nc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)c[nH]1 ZINC001032959037 800550254 /nfs/dbraw/zinc/55/02/54/800550254.db2.gz COWVPPQMZAIJRE-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1nc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)c[nH]1 ZINC001032959037 800550257 /nfs/dbraw/zinc/55/02/57/800550257.db2.gz COWVPPQMZAIJRE-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001066261482 800560535 /nfs/dbraw/zinc/56/05/35/800560535.db2.gz QHHPFFGLJYRULE-OAHLLOKOSA-N 1 2 332.448 2.196 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001066261482 800560541 /nfs/dbraw/zinc/56/05/41/800560541.db2.gz QHHPFFGLJYRULE-OAHLLOKOSA-N 1 2 332.448 2.196 20 30 EEEDLO CCOC1CC(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)C1 ZINC001085573577 800794823 /nfs/dbraw/zinc/79/48/23/800794823.db2.gz AFLHNNZSMQBGNH-SLTAFYQDSA-N 1 2 347.484 2.468 20 30 EEEDLO CCOC1CC(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)C1 ZINC001085573577 800794827 /nfs/dbraw/zinc/79/48/27/800794827.db2.gz AFLHNNZSMQBGNH-SLTAFYQDSA-N 1 2 347.484 2.468 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CC1(F)F ZINC001085586523 800827748 /nfs/dbraw/zinc/82/77/48/800827748.db2.gz WNQYPULUOSQODJ-KGLIPLIRSA-N 1 2 337.345 2.385 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CC1(F)F ZINC001085586523 800827751 /nfs/dbraw/zinc/82/77/51/800827751.db2.gz WNQYPULUOSQODJ-KGLIPLIRSA-N 1 2 337.345 2.385 20 30 EEEDLO Cc1c[nH]nc1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085590034 800838713 /nfs/dbraw/zinc/83/87/13/800838713.db2.gz AWRFSONBMCUMNP-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1c[nH]nc1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085590034 800838719 /nfs/dbraw/zinc/83/87/19/800838719.db2.gz AWRFSONBMCUMNP-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)c1cc[nH]c1 ZINC001085612675 800888081 /nfs/dbraw/zinc/88/80/81/800888081.db2.gz XEZFJPMCOWJYPO-SFHVURJKSA-N 1 2 325.387 2.352 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)c1cc[nH]c1 ZINC001085612675 800888087 /nfs/dbraw/zinc/88/80/87/800888087.db2.gz XEZFJPMCOWJYPO-SFHVURJKSA-N 1 2 325.387 2.352 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC001182112862 801028727 /nfs/dbraw/zinc/02/87/27/801028727.db2.gz HPGWVTHUKLQEHR-CQSZACIVSA-N 1 2 332.448 2.251 20 30 EEEDLO COc1ncccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085796345 801301540 /nfs/dbraw/zinc/30/15/40/801301540.db2.gz OVUMFZIICUDFED-SFHVURJKSA-N 1 2 349.434 2.288 20 30 EEEDLO COc1ncccc1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085796345 801301546 /nfs/dbraw/zinc/30/15/46/801301546.db2.gz OVUMFZIICUDFED-SFHVURJKSA-N 1 2 349.434 2.288 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001004219645 801334191 /nfs/dbraw/zinc/33/41/91/801334191.db2.gz DMQJHSTYAVHTMB-CQSZACIVSA-N 1 2 344.459 2.007 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(COC)no2)C1 ZINC001182904890 801394691 /nfs/dbraw/zinc/39/46/91/801394691.db2.gz REXNQTBGBKQZBK-QWHCGFSZSA-N 1 2 336.436 2.070 20 30 EEEDLO Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2ccccc2)c(=O)[nH]1 ZINC001085843348 801415586 /nfs/dbraw/zinc/41/55/86/801415586.db2.gz JWTCNEMPCRDCOR-GOSISDBHSA-N 1 2 349.434 2.294 20 30 EEEDLO Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2ccccc2)c(=O)[nH]1 ZINC001085843348 801415589 /nfs/dbraw/zinc/41/55/89/801415589.db2.gz JWTCNEMPCRDCOR-GOSISDBHSA-N 1 2 349.434 2.294 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001033085354 801521634 /nfs/dbraw/zinc/52/16/34/801521634.db2.gz SRDHDDHFTYDPCY-ZACQAIPSSA-N 1 2 349.862 2.444 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001033085354 801521637 /nfs/dbraw/zinc/52/16/37/801521637.db2.gz SRDHDDHFTYDPCY-ZACQAIPSSA-N 1 2 349.862 2.444 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001066335990 801554377 /nfs/dbraw/zinc/55/43/77/801554377.db2.gz BEAWWYVVPIPTHL-HZPDHXFCSA-N 1 2 346.475 2.062 20 30 EEEDLO N#Cc1cnc(NC(=O)C23CCC[NH+]2CCC3)c(Br)c1 ZINC001183555449 801640545 /nfs/dbraw/zinc/64/05/45/801640545.db2.gz IDKJKPPSJXQXOK-UHFFFAOYSA-N 1 2 335.205 2.283 20 30 EEEDLO C=C1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N(CC)C2C[NH+](C)C2)C1 ZINC001183623661 801682243 /nfs/dbraw/zinc/68/22/43/801682243.db2.gz NOFUECQFINNULC-SFHVURJKSA-N 1 2 337.464 2.105 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2ccccc2)cn1 ZINC001085932871 801690259 /nfs/dbraw/zinc/69/02/59/801690259.db2.gz KHNQDQYXDFQFRV-OAQYLSRUSA-N 1 2 343.430 2.261 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2ccccc2)cn1 ZINC001085932871 801690262 /nfs/dbraw/zinc/69/02/62/801690262.db2.gz KHNQDQYXDFQFRV-OAQYLSRUSA-N 1 2 343.430 2.261 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H](NC(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001066347670 801744484 /nfs/dbraw/zinc/74/44/84/801744484.db2.gz FDUFZUJZKXNOSR-INIZCTEOSA-N 1 2 344.459 2.127 20 30 EEEDLO CCN(C(=O)[C@H]1CCCCN1Cc1ccccc1C#N)C1C[NH+](C)C1 ZINC001183834542 801763985 /nfs/dbraw/zinc/76/39/85/801763985.db2.gz GVABGBVFIMMKPC-LJQANCHMSA-N 1 2 340.471 2.075 20 30 EEEDLO C[C@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183838473 801767063 /nfs/dbraw/zinc/76/70/63/801767063.db2.gz ILWSHEIUNDAOJA-AYBZRNKSSA-N 1 2 341.455 2.454 20 30 EEEDLO C[C@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183838473 801767070 /nfs/dbraw/zinc/76/70/70/801767070.db2.gz ILWSHEIUNDAOJA-AYBZRNKSSA-N 1 2 341.455 2.454 20 30 EEEDLO C=CCC(C)(C)C(=O)NCc1cnn2c1C[N@H+](CCCCOC)CC2 ZINC001128509315 801810039 /nfs/dbraw/zinc/81/00/39/801810039.db2.gz IMKFJZYFNLVVEF-UHFFFAOYSA-N 1 2 348.491 2.344 20 30 EEEDLO C=CCC(C)(C)C(=O)NCc1cnn2c1C[N@@H+](CCCCOC)CC2 ZINC001128509315 801810044 /nfs/dbraw/zinc/81/00/44/801810044.db2.gz IMKFJZYFNLVVEF-UHFFFAOYSA-N 1 2 348.491 2.344 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)C2(c3ccc(OC)cc3OC)CC2)CC1 ZINC001184142717 801890785 /nfs/dbraw/zinc/89/07/85/801890785.db2.gz ZZFJBVOCKLFGOG-UHFFFAOYSA-N 1 2 330.428 2.066 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001066361107 801924125 /nfs/dbraw/zinc/92/41/25/801924125.db2.gz CVCCZLGYHWYDEI-ZBFHGGJFSA-N 1 2 346.475 2.360 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C[C@@H]1O ZINC001100021096 801949979 /nfs/dbraw/zinc/94/99/79/801949979.db2.gz XQNYVFDPMRJLGS-KGLIPLIRSA-N 1 2 337.489 2.105 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2ncc(C)s2)C[C@@H]1O ZINC001100021096 801949985 /nfs/dbraw/zinc/94/99/85/801949985.db2.gz XQNYVFDPMRJLGS-KGLIPLIRSA-N 1 2 337.489 2.105 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ncc(F)cc2F)CC1 ZINC001004471587 802159639 /nfs/dbraw/zinc/15/96/39/802159639.db2.gz XLPNQYSDJNNRRJ-OAHLLOKOSA-N 1 2 334.370 2.200 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ncc(F)cc2F)CC1 ZINC001004471587 802159645 /nfs/dbraw/zinc/15/96/45/802159645.db2.gz XLPNQYSDJNNRRJ-OAHLLOKOSA-N 1 2 334.370 2.200 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 ZINC001004477606 802179653 /nfs/dbraw/zinc/17/96/53/802179653.db2.gz SDUMJZDMFDGFMG-PKOBYXMFSA-N 1 2 339.439 2.217 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 ZINC001004477606 802179656 /nfs/dbraw/zinc/17/96/56/802179656.db2.gz SDUMJZDMFDGFMG-PKOBYXMFSA-N 1 2 339.439 2.217 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnc3ccccc3c2)C1 ZINC001108244620 802291206 /nfs/dbraw/zinc/29/12/06/802291206.db2.gz MVPOPUBPPKQUOO-IBGZPJMESA-N 1 2 325.412 2.242 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnc3ccccc3c2)C1 ZINC001108244620 802291212 /nfs/dbraw/zinc/29/12/12/802291212.db2.gz MVPOPUBPPKQUOO-IBGZPJMESA-N 1 2 325.412 2.242 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001066431908 802401489 /nfs/dbraw/zinc/40/14/89/802401489.db2.gz NMTRVAXDYNDYPY-SJORKVTESA-N 1 2 346.475 2.373 20 30 EEEDLO C[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)c1cccnc1 ZINC001004597003 802452291 /nfs/dbraw/zinc/45/22/91/802452291.db2.gz PUYTYFLEEWBTMH-CRAIPNDOSA-N 1 2 326.444 2.412 20 30 EEEDLO C[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)c1cccnc1 ZINC001004597003 802452296 /nfs/dbraw/zinc/45/22/96/802452296.db2.gz PUYTYFLEEWBTMH-CRAIPNDOSA-N 1 2 326.444 2.412 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2nccs2)CC1 ZINC001004623063 802485026 /nfs/dbraw/zinc/48/50/26/802485026.db2.gz PGXUHQUXHXSCIB-OAHLLOKOSA-N 1 2 332.473 2.302 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2nccs2)CC1 ZINC001004623063 802485033 /nfs/dbraw/zinc/48/50/33/802485033.db2.gz PGXUHQUXHXSCIB-OAHLLOKOSA-N 1 2 332.473 2.302 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2COc3ccccc32)CC1 ZINC001004623424 802485067 /nfs/dbraw/zinc/48/50/67/802485067.db2.gz HHVOJVFHFBYWOT-ROUUACIJSA-N 1 2 339.439 2.389 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2COc3ccccc32)CC1 ZINC001004623424 802485071 /nfs/dbraw/zinc/48/50/71/802485071.db2.gz HHVOJVFHFBYWOT-ROUUACIJSA-N 1 2 339.439 2.389 20 30 EEEDLO C=CCC1(C(=O)N2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)CCC1 ZINC001066443820 802503624 /nfs/dbraw/zinc/50/36/24/802503624.db2.gz SOKVNAQBKZRSCX-HNNXBMFYSA-N 1 2 344.459 2.196 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001108268320 802786462 /nfs/dbraw/zinc/78/64/62/802786462.db2.gz YOAVIMNDQGQSKL-SQGPQFPESA-N 1 2 344.430 2.160 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001108268320 802786465 /nfs/dbraw/zinc/78/64/65/802786465.db2.gz YOAVIMNDQGQSKL-SQGPQFPESA-N 1 2 344.430 2.160 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001066527939 802937827 /nfs/dbraw/zinc/93/78/27/802937827.db2.gz WXVXBJFWMGWTOA-GJZGRUSLSA-N 1 2 344.459 2.293 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccc(-c3cnco3)c2)C1 ZINC001108319479 803272269 /nfs/dbraw/zinc/27/22/69/803272269.db2.gz XCYUEQYMSWSIFP-LJQANCHMSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccc(-c3cnco3)c2)C1 ZINC001108319479 803272275 /nfs/dbraw/zinc/27/22/75/803272275.db2.gz XCYUEQYMSWSIFP-LJQANCHMSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnn(CCC)c2C2CC2)C1 ZINC001108331032 803303109 /nfs/dbraw/zinc/30/31/09/803303109.db2.gz KCSIOSYSJNAYIJ-LJQANCHMSA-N 1 2 346.475 2.177 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnn(CCC)c2C2CC2)C1 ZINC001108331032 803303111 /nfs/dbraw/zinc/30/31/11/803303111.db2.gz KCSIOSYSJNAYIJ-LJQANCHMSA-N 1 2 346.475 2.177 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(F)cc2Cl)C1 ZINC001108376492 803397967 /nfs/dbraw/zinc/39/79/67/803397967.db2.gz MTCJUXYNXWGSOC-MRXNPFEDSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(F)cc2Cl)C1 ZINC001108376492 803397970 /nfs/dbraw/zinc/39/79/70/803397970.db2.gz MTCJUXYNXWGSOC-MRXNPFEDSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2ccc3ccccc32)C1 ZINC001108407803 803494650 /nfs/dbraw/zinc/49/46/50/803494650.db2.gz BSLXIAHISPCOJF-IBGZPJMESA-N 1 2 327.428 2.034 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2ccc3ccccc32)C1 ZINC001108407803 803494651 /nfs/dbraw/zinc/49/46/51/803494651.db2.gz BSLXIAHISPCOJF-IBGZPJMESA-N 1 2 327.428 2.034 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001108411035 803502465 /nfs/dbraw/zinc/50/24/65/803502465.db2.gz WCTFSUMZAAJLDW-SCLBCKFNSA-N 1 2 338.398 2.461 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001108411035 803502469 /nfs/dbraw/zinc/50/24/69/803502469.db2.gz WCTFSUMZAAJLDW-SCLBCKFNSA-N 1 2 338.398 2.461 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001108427028 803529019 /nfs/dbraw/zinc/52/90/19/803529019.db2.gz UGPDRJLUTGOVFZ-OAQYLSRUSA-N 1 2 340.467 2.328 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001108427028 803529025 /nfs/dbraw/zinc/52/90/25/803529025.db2.gz UGPDRJLUTGOVFZ-OAQYLSRUSA-N 1 2 340.467 2.328 20 30 EEEDLO CCOC(=O)Cn1ccc2c1nc[nH+]c2NC=CC(=O)C(F)(F)F ZINC001169473299 803788743 /nfs/dbraw/zinc/78/87/43/803788743.db2.gz IYVLEXQCDUQIFJ-HWKANZROSA-N 1 2 342.277 2.051 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C)C ZINC001109334862 805315205 /nfs/dbraw/zinc/31/52/05/805315205.db2.gz BLTUZGUTFXDLHE-RDBSUJKOSA-N 1 2 341.883 2.011 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C)C ZINC001109334862 805315214 /nfs/dbraw/zinc/31/52/14/805315214.db2.gz BLTUZGUTFXDLHE-RDBSUJKOSA-N 1 2 341.883 2.011 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C(C)C ZINC001109350708 805338552 /nfs/dbraw/zinc/33/85/52/805338552.db2.gz BSKKMMVDBCDDDG-YVSFHVDLSA-N 1 2 335.492 2.225 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C(C)C ZINC001109350708 805338562 /nfs/dbraw/zinc/33/85/62/805338562.db2.gz BSKKMMVDBCDDDG-YVSFHVDLSA-N 1 2 335.492 2.225 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CCCCCC1)C2 ZINC001109411919 805424415 /nfs/dbraw/zinc/42/44/15/805424415.db2.gz WARHRXDJOVYDJP-IKGGRYGDSA-N 1 2 347.503 2.371 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CCCCCC1)C2 ZINC001109411919 805424419 /nfs/dbraw/zinc/42/44/19/805424419.db2.gz WARHRXDJOVYDJP-IKGGRYGDSA-N 1 2 347.503 2.371 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC001112814307 807329068 /nfs/dbraw/zinc/32/90/68/807329068.db2.gz NAYJGPZVDBFFFO-IEBWSBKVSA-N 1 2 332.419 2.284 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001112814328 807329492 /nfs/dbraw/zinc/32/94/92/807329492.db2.gz NGEYEMFXOMJHEI-OCCSQVGLSA-N 1 2 335.275 2.042 20 30 EEEDLO C=CC(C)(C)CC(=O)NC1CC(CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001112855763 807454889 /nfs/dbraw/zinc/45/48/89/807454889.db2.gz JXIIPAKYPCMMDX-UHFFFAOYSA-N 1 2 346.479 2.155 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2c(F)ccc3ccncc32)CC1 ZINC001112867627 807497227 /nfs/dbraw/zinc/49/72/27/807497227.db2.gz ZJGHZCXKTDHRJR-UHFFFAOYSA-N 1 2 343.402 2.334 20 30 EEEDLO Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)nc(C2CC2)[nH+]1 ZINC001112973024 807738915 /nfs/dbraw/zinc/73/89/15/807738915.db2.gz DOXRHUSMUACFHT-NWDGAFQWSA-N 1 2 338.415 2.481 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001113253424 808573383 /nfs/dbraw/zinc/57/33/83/808573383.db2.gz KLVVVOKXBIELDN-KGLIPLIRSA-N 1 2 345.491 2.372 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001113253424 808573386 /nfs/dbraw/zinc/57/33/86/808573386.db2.gz KLVVVOKXBIELDN-KGLIPLIRSA-N 1 2 345.491 2.372 20 30 EEEDLO C=C1CCC(C(=O)N[C@H](C)[C@H](C)Nc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001113315155 808711219 /nfs/dbraw/zinc/71/12/19/808711219.db2.gz XZYFQFODUZENBX-OLZOCXBDSA-N 1 2 346.479 2.298 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@H](C)Nc2ncccc2C#N)c[nH+]1 ZINC001113361483 808807399 /nfs/dbraw/zinc/80/73/99/808807399.db2.gz IKNJFLMBRPRCJA-UONOGXRCSA-N 1 2 340.431 2.199 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC001113710104 809614180 /nfs/dbraw/zinc/61/41/80/809614180.db2.gz GPTYPMBPGAHQJL-INIZCTEOSA-N 1 2 339.439 2.470 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)N(C)c3ccncc3C#N)ccn12 ZINC001113720265 809641238 /nfs/dbraw/zinc/64/12/38/809641238.db2.gz ONBQBFCVUANJHP-CYBMUJFWSA-N 1 2 348.410 2.164 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)N(C)c3ccc(C#N)cn3)ccn12 ZINC001113720317 809641697 /nfs/dbraw/zinc/64/16/97/809641697.db2.gz PKINPMBWDFLAOH-CYBMUJFWSA-N 1 2 348.410 2.164 20 30 EEEDLO N#CCn1c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)nc2ccccc2c1=O ZINC000792921379 810071115 /nfs/dbraw/zinc/07/11/15/810071115.db2.gz KIXXWPJEKISCKG-SJORKVTESA-N 1 2 338.411 2.063 20 30 EEEDLO N#CCn1c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)nc2ccccc2c1=O ZINC000792921379 810071117 /nfs/dbraw/zinc/07/11/17/810071117.db2.gz KIXXWPJEKISCKG-SJORKVTESA-N 1 2 338.411 2.063 20 30 EEEDLO COCCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001113935325 810095126 /nfs/dbraw/zinc/09/51/26/810095126.db2.gz NHPQGWSVBPLUCI-MNZLEMJZSA-N 1 2 346.858 2.165 20 30 EEEDLO COCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001113935325 810095131 /nfs/dbraw/zinc/09/51/31/810095131.db2.gz NHPQGWSVBPLUCI-MNZLEMJZSA-N 1 2 346.858 2.165 20 30 EEEDLO Cc1ccc(C#N)c(N(C)[C@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)n1 ZINC001113970075 810130503 /nfs/dbraw/zinc/13/05/03/810130503.db2.gz IEJVPIOKTXPXCH-CYBMUJFWSA-N 1 2 348.410 2.393 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001113998733 810169409 /nfs/dbraw/zinc/16/94/09/810169409.db2.gz CHRAVOLWUGWFIH-UTXMOHQDSA-N 1 2 349.500 2.233 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(CC)n3)C[C@H]21 ZINC001113998733 810169411 /nfs/dbraw/zinc/16/94/11/810169411.db2.gz CHRAVOLWUGWFIH-UTXMOHQDSA-N 1 2 349.500 2.233 20 30 EEEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(-c4ccsc4)no3)C[C@H]21 ZINC001114024458 810204051 /nfs/dbraw/zinc/20/40/51/810204051.db2.gz AIODBQMJELIQLN-VIKVFOODSA-N 1 2 344.440 2.311 20 30 EEEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(-c4ccsc4)no3)C[C@H]21 ZINC001114024458 810204054 /nfs/dbraw/zinc/20/40/54/810204054.db2.gz AIODBQMJELIQLN-VIKVFOODSA-N 1 2 344.440 2.311 20 30 EEEDLO CC[C@@H](SC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114151030 810461161 /nfs/dbraw/zinc/46/11/61/810461161.db2.gz CKNUMCSXIPFTQF-TWMKSMIVSA-N 1 2 347.459 2.385 20 30 EEEDLO CC[C@@H](SC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114151030 810461170 /nfs/dbraw/zinc/46/11/70/810461170.db2.gz CKNUMCSXIPFTQF-TWMKSMIVSA-N 1 2 347.459 2.385 20 30 EEEDLO CCCCc1noc([C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)C)n1 ZINC001114233946 810650103 /nfs/dbraw/zinc/65/01/03/810650103.db2.gz BUHVAMUCZPFLHX-OIPACUDHSA-N 1 2 344.459 2.179 20 30 EEEDLO CCCCc1noc([C@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)C)n1 ZINC001114233946 810650108 /nfs/dbraw/zinc/65/01/08/810650108.db2.gz BUHVAMUCZPFLHX-OIPACUDHSA-N 1 2 344.459 2.179 20 30 EEEDLO C[C@H](NC(=O)c1ccc(C#N)o1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000794345593 810782421 /nfs/dbraw/zinc/78/24/21/810782421.db2.gz FNGVVCZGOBKGAU-KBXCAEBGSA-N 1 2 339.395 2.171 20 30 EEEDLO C[C@H](NC(=O)c1ccc(C#N)o1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000794345593 810782429 /nfs/dbraw/zinc/78/24/29/810782429.db2.gz FNGVVCZGOBKGAU-KBXCAEBGSA-N 1 2 339.395 2.171 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCCC2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129418652 810831485 /nfs/dbraw/zinc/83/14/85/810831485.db2.gz WIERAXYKSRWGMW-MSOLQXFVSA-N 1 2 343.475 2.003 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCCC2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129418652 810831493 /nfs/dbraw/zinc/83/14/93/810831493.db2.gz WIERAXYKSRWGMW-MSOLQXFVSA-N 1 2 343.475 2.003 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CCCC)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129466025 810856831 /nfs/dbraw/zinc/85/68/31/810856831.db2.gz VVUNEGDWILLVBJ-KSZLIROESA-N 1 2 345.491 2.105 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CCCC)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129466025 810856840 /nfs/dbraw/zinc/85/68/40/810856840.db2.gz VVUNEGDWILLVBJ-KSZLIROESA-N 1 2 345.491 2.105 20 30 EEEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)CCc1cnccn1)C1CC1 ZINC001437808751 1090401094 /nfs/dbraw/zinc/40/10/94/1090401094.db2.gz SOMQKXLXKHAQTI-UHFFFAOYSA-N 1 2 349.438 2.062 20 30 EEEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)CCc1cnccn1)C1CC1 ZINC001437808751 1090401098 /nfs/dbraw/zinc/40/10/98/1090401098.db2.gz SOMQKXLXKHAQTI-UHFFFAOYSA-N 1 2 349.438 2.062 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)COc2ccsc2)C1 ZINC001438163733 1090677034 /nfs/dbraw/zinc/67/70/34/1090677034.db2.gz VMFVOQIZTVDBQJ-UHFFFAOYSA-N 1 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EEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)CCOC(C)C)C1 ZINC001446522438 1100975532 /nfs/dbraw/zinc/97/55/32/1100975532.db2.gz DBIHTXNUKQWRBE-CQSZACIVSA-N 1 2 333.270 2.291 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@](F)(C#N)C1 ZINC001515996699 1118992779 /nfs/dbraw/zinc/99/27/79/1118992779.db2.gz IFPLPNZXKRHUHU-PBHICJAKSA-N 1 2 332.427 2.453 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@](F)(C#N)C1 ZINC001515996699 1118992783 /nfs/dbraw/zinc/99/27/83/1118992783.db2.gz IFPLPNZXKRHUHU-PBHICJAKSA-N 1 2 332.427 2.453 20 30 EEEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001521353245 1119243600 /nfs/dbraw/zinc/24/36/00/1119243600.db2.gz NWGZCOPIBHRORY-CYBMUJFWSA-N 1 2 335.371 2.234 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H](C)C#N)CC2)c(C)[nH+]1 ZINC001531908001 1122601474 /nfs/dbraw/zinc/60/14/74/1122601474.db2.gz CBXPIICQEDFLNQ-RCBQFDQVSA-N 1 2 342.443 2.324 20 30 EEEDLO CCC(CC)[C@H](C(=O)NCc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000173055605 282255682 /nfs/dbraw/zinc/25/56/82/282255682.db2.gz MLQTUUYQBZSKCV-GOSISDBHSA-N 1 2 329.444 2.311 20 30 EEEDLO COC(=O)C(C)(C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000066496135 215048835 /nfs/dbraw/zinc/04/88/35/215048835.db2.gz QAFKMIDUQQBCQO-UHFFFAOYSA-N 1 2 349.456 2.368 20 30 EEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(C(F)(F)F)cnc1C#N ZINC000334028072 539806091 /nfs/dbraw/zinc/80/60/91/539806091.db2.gz IWYJQWJMZGSZDW-AAEUAGOBSA-N 1 2 340.349 2.271 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C/c3nccs3)CC2)cc1 ZINC000040554902 213349476 /nfs/dbraw/zinc/34/94/76/213349476.db2.gz RMFRCGQQKRHREY-AATRIKPKSA-N 1 2 338.436 2.372 20 30 EEEDLO Cc1ccc([C@H](CNC(=O)N2CCO[C@@H](C#N)C2)[NH+]2CCCC2)cc1 ZINC000106336528 237112344 /nfs/dbraw/zinc/11/23/44/237112344.db2.gz NXROGHQKKSFQNE-ROUUACIJSA-N 1 2 342.443 2.066 20 30 EEEDLO C=CCn1c(=O)[nH]nc1SCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421837421 240030858 /nfs/dbraw/zinc/03/08/58/240030858.db2.gz QROCBDAAHUOCMV-UHFFFAOYSA-N 1 2 346.456 2.294 20 30 EEEDLO C=CCN1C(=O)N=NC1SCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421837421 240030863 /nfs/dbraw/zinc/03/08/63/240030863.db2.gz QROCBDAAHUOCMV-UHFFFAOYSA-N 1 2 346.456 2.294 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCc3ccsc3C2)cc1 ZINC000132577162 223344106 /nfs/dbraw/zinc/34/41/06/223344106.db2.gz NUKWEPFADWPQSK-UHFFFAOYSA-N 1 2 332.450 2.452 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCc3ccsc3C2)cc1 ZINC000132577162 223344108 /nfs/dbraw/zinc/34/41/08/223344108.db2.gz NUKWEPFADWPQSK-UHFFFAOYSA-N 1 2 332.450 2.452 20 30 EEEDLO C#CCN(C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1)C1CC1 ZINC000491440936 246031753 /nfs/dbraw/zinc/03/17/53/246031753.db2.gz RZKPCBDTFOPIJY-INIZCTEOSA-N 1 2 326.375 2.456 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)CCN(C)c2ccccc2)n1 ZINC000491462316 246037293 /nfs/dbraw/zinc/03/72/93/246037293.db2.gz IBWZQMBALIDLGG-UHFFFAOYSA-N 1 2 326.444 2.101 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)CCN(C)c2ccccc2)n1 ZINC000491462316 246037297 /nfs/dbraw/zinc/03/72/97/246037297.db2.gz IBWZQMBALIDLGG-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/15/93/23/533159323.db2.gz SWEPOCQWDIVPNS-UHFFFAOYSA-N 1 2 345.491 2.118 20 30 EEEDLO CCc1nnc(N2CC[NH+](Cc3ccco3)CC2)c(C#N)c1CC ZINC000268134033 256117699 /nfs/dbraw/zinc/11/76/99/256117699.db2.gz GBDWIHTXQIZIKG-UHFFFAOYSA-N 1 2 325.416 2.388 20 30 EEEDLO CC[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000119284102 221284177 /nfs/dbraw/zinc/28/41/77/221284177.db2.gz YIRHXBRHCYTHKL-CYBMUJFWSA-N 1 2 338.249 2.214 20 30 EEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)[C@@H](C)C1 ZINC000451527834 285328609 /nfs/dbraw/zinc/32/86/09/285328609.db2.gz DSDOYYMBCGUCMJ-LBPRGKRZSA-N 1 2 341.864 2.121 20 30 EEEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)[C@@H](C)C1 ZINC000451527834 285328616 /nfs/dbraw/zinc/32/86/16/285328616.db2.gz DSDOYYMBCGUCMJ-LBPRGKRZSA-N 1 2 341.864 2.121 20 30 EEEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000491662526 533276320 /nfs/dbraw/zinc/27/63/20/533276320.db2.gz RCMBJUPHEWGUBL-GFCCVEGCSA-N 1 2 326.318 2.368 20 30 EEEDLO 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GTKQTNDIIBOLFV-UHFFFAOYSA-N 1 2 334.177 2.339 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(C(N)=O)cs3)CC2)c(F)c1 ZINC000092612877 159224053 /nfs/dbraw/zinc/22/40/53/159224053.db2.gz NFAKQMFBJXBKRQ-UHFFFAOYSA-N 1 2 344.415 2.180 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)c1 ZINC000104090857 159282668 /nfs/dbraw/zinc/28/26/68/159282668.db2.gz KZWCYSNDNLBQSR-INIZCTEOSA-N 1 2 333.432 2.237 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2C(=O)N2CCSCC2)c1 ZINC000104090857 159282669 /nfs/dbraw/zinc/28/26/69/159282669.db2.gz KZWCYSNDNLBQSR-INIZCTEOSA-N 1 2 333.432 2.237 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCSC[C@@H]2CO)c(Br)c1 ZINC000343692185 161159342 /nfs/dbraw/zinc/15/93/42/161159342.db2.gz BDDCXDSIOONECT-LBPRGKRZSA-N 1 2 327.247 2.230 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCSC[C@@H]2CO)c(Br)c1 ZINC000343692185 161159343 /nfs/dbraw/zinc/15/93/43/161159343.db2.gz BDDCXDSIOONECT-LBPRGKRZSA-N 1 2 327.247 2.230 20 30 EEEDLO C[N@H+](CCOCc1ccc(C#N)cc1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000344107189 161198928 /nfs/dbraw/zinc/19/89/28/161198928.db2.gz IXQPPNNXYNWTCF-GOSISDBHSA-N 1 2 341.386 2.372 20 30 EEEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000344107189 161198929 /nfs/dbraw/zinc/19/89/29/161198929.db2.gz IXQPPNNXYNWTCF-GOSISDBHSA-N 1 2 341.386 2.372 20 30 EEEDLO COC(=O)c1ccc([C@@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)o1 ZINC000345094141 161270774 /nfs/dbraw/zinc/27/07/74/161270774.db2.gz BHJUTUHOJOFZJJ-CYBMUJFWSA-N 1 2 340.383 2.216 20 30 EEEDLO COC(=O)c1cc(C#N)c(=O)n(Cc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC000356045537 163313872 /nfs/dbraw/zinc/31/38/72/163313872.db2.gz RSIUSJXJRFQWAC-UHFFFAOYSA-N 1 2 348.362 2.049 20 30 EEEDLO CCN1CCN(C(=O)c2cc(C#N)ccc2Cl)C[C@@H]1c1[nH]cc[nH+]1 ZINC000376006980 167244120 /nfs/dbraw/zinc/24/41/20/167244120.db2.gz GAZLJGYLLCPTMB-OAHLLOKOSA-N 1 2 343.818 2.454 20 30 EEEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)[C@H]1CC ZINC001087660612 782030570 /nfs/dbraw/zinc/03/05/70/782030570.db2.gz ULCKKVMPGPKXFC-NWDGAFQWSA-N 1 2 342.365 2.343 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)[C@H]1CC ZINC001087660612 782030578 /nfs/dbraw/zinc/03/05/78/782030578.db2.gz ULCKKVMPGPKXFC-NWDGAFQWSA-N 1 2 342.365 2.343 20 30 EEEDLO N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000332406299 270018895 /nfs/dbraw/zinc/01/88/95/270018895.db2.gz HYXCOXZPEKNNFL-CYBMUJFWSA-N 1 2 348.403 2.130 20 30 EEEDLO CC[NH+]1CCN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)CC1 ZINC000296049055 266147288 /nfs/dbraw/zinc/14/72/88/266147288.db2.gz PMXDZFOPAFSHKF-UHFFFAOYSA-N 1 2 348.472 2.020 20 30 EEEDLO CC[NH+]1CCN(C(=O)[C@@H](C)SCCOc2cccc(C#N)c2)CC1 ZINC000289473534 266148219 /nfs/dbraw/zinc/14/82/19/266148219.db2.gz WLRLSRDZSMISEO-OAHLLOKOSA-N 1 2 347.484 2.223 20 30 EEEDLO C[C@H]1C[NH+](CCC(=O)Nc2sccc2C#N)C[C@H](C)S1=O ZINC000330103595 267229444 /nfs/dbraw/zinc/22/94/44/267229444.db2.gz HAIZFBFOCOMHAI-QWRGUYRKSA-N 1 2 325.459 2.439 20 30 EEEDLO N#Cc1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000425231917 268291890 /nfs/dbraw/zinc/29/18/90/268291890.db2.gz VBAIFLRJTACXQX-UHFFFAOYSA-N 1 2 338.367 2.494 20 30 EEEDLO CCOC(=O)Nc1ccc(NC(=O)NCc2[nH+]ccn2C)cc1C#N ZINC000269798935 268740392 /nfs/dbraw/zinc/74/03/92/268740392.db2.gz ACBYXOZVJPCYNI-UHFFFAOYSA-N 1 2 342.359 2.182 20 30 EEEDLO CC(C)[N@H+](Cc1nnnn1C1CCOCC1)Cc1ccc(C#N)cc1 ZINC000575738889 320109326 /nfs/dbraw/zinc/10/93/26/320109326.db2.gz TYOXKFOEYKVRFP-UHFFFAOYSA-N 1 2 340.431 2.307 20 30 EEEDLO CC(C)[N@@H+](Cc1nnnn1C1CCOCC1)Cc1ccc(C#N)cc1 ZINC000575738889 320109329 /nfs/dbraw/zinc/10/93/29/320109329.db2.gz TYOXKFOEYKVRFP-UHFFFAOYSA-N 1 2 340.431 2.307 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(F)c1 ZINC000577758735 320274541 /nfs/dbraw/zinc/27/45/41/320274541.db2.gz NRMSTPLUEHOUCM-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C[C@@H](CN=Nc1ccc(-n2cc[nH+]c2)nn1)CNC(=O)OC(C)(C)C ZINC000497053495 448160035 /nfs/dbraw/zinc/16/00/35/448160035.db2.gz JTVPJYSDUXXPOK-GFCCVEGCSA-N 1 2 345.407 2.221 20 30 EEEDLO COC[C@@](C)(C#N)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000541723837 448688358 /nfs/dbraw/zinc/68/83/58/448688358.db2.gz GGJCKPHBRSJRNZ-GOSISDBHSA-N 1 2 339.399 2.056 20 30 EEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cccnc3-c3ccccc3)C[C@H]21 ZINC000328725896 465110337 /nfs/dbraw/zinc/11/03/37/465110337.db2.gz BQOTUYFEDOGEHE-SJORKVTESA-N 1 2 338.411 2.309 20 30 EEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cccnc3-c3ccccc3)C[C@H]21 ZINC000328725896 465110342 /nfs/dbraw/zinc/11/03/42/465110342.db2.gz BQOTUYFEDOGEHE-SJORKVTESA-N 1 2 338.411 2.309 20 30 EEEDLO N#Cc1ccc(C(=O)NCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000339166685 465119887 /nfs/dbraw/zinc/11/98/87/465119887.db2.gz QXAWNOVVUOSUNA-UHFFFAOYSA-N 1 2 345.362 2.112 20 30 EEEDLO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328902171 465161831 /nfs/dbraw/zinc/16/18/31/465161831.db2.gz GHIYGQNFMPWYLK-OCCSQVGLSA-N 1 2 334.420 2.298 20 30 EEEDLO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328902171 465161836 /nfs/dbraw/zinc/16/18/36/465161836.db2.gz GHIYGQNFMPWYLK-OCCSQVGLSA-N 1 2 334.420 2.298 20 30 EEEDLO Cc1[nH]c(C(=O)NC[C@@H]2CCn3ncc(C(=O)NC(C)C)c3C2)c[nH+]1 ZINC000329121391 465239694 /nfs/dbraw/zinc/23/96/94/465239694.db2.gz WBDPEMYQBSHTBE-GFCCVEGCSA-N 1 2 344.419 2.195 20 30 EEEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000297713174 465266898 /nfs/dbraw/zinc/26/68/98/465266898.db2.gz BAERWHBWMXFOMN-QGZVFWFLSA-N 1 2 340.402 2.108 20 30 EEEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000297713174 465266902 /nfs/dbraw/zinc/26/69/02/465266902.db2.gz BAERWHBWMXFOMN-QGZVFWFLSA-N 1 2 340.402 2.108 20 30 EEEDLO Cc1cc(C)cc(NC(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000060481872 462553144 /nfs/dbraw/zinc/55/31/44/462553144.db2.gz SBBCYWKXVZNZMD-UHFFFAOYSA-N 1 2 349.438 2.331 20 30 EEEDLO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000112995991 462561231 /nfs/dbraw/zinc/56/12/31/462561231.db2.gz GSQQCLYUKSASBW-GOSISDBHSA-N 1 2 339.395 2.171 20 30 EEEDLO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000112995991 462561235 /nfs/dbraw/zinc/56/12/35/462561235.db2.gz GSQQCLYUKSASBW-GOSISDBHSA-N 1 2 339.395 2.171 20 30 EEEDLO C#C[C@@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)C(C)(C)C ZINC000491147960 468309010 /nfs/dbraw/zinc/30/90/10/468309010.db2.gz UBAGNGJCIWRDQA-MRXNPFEDSA-N 1 2 331.441 2.258 20 30 EEEDLO CSC[C@@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000129486786 462709471 /nfs/dbraw/zinc/70/94/71/462709471.db2.gz ZJPDKUNSMBUJBK-LLVKDONJSA-N 1 2 330.457 2.398 20 30 EEEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCSCC2)cc1 ZINC000047988140 462846804 /nfs/dbraw/zinc/84/68/04/462846804.db2.gz HESUVKMQMRLTPF-UHFFFAOYSA-N 1 2 333.457 2.381 20 30 EEEDLO CCN(CCC#N)C(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000076454139 462862599 /nfs/dbraw/zinc/86/25/99/462862599.db2.gz ZBCUSQQZZXQNFV-UXBLZVDNSA-N 1 2 340.471 2.080 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000076454139 462862603 /nfs/dbraw/zinc/86/26/03/462862603.db2.gz ZBCUSQQZZXQNFV-UXBLZVDNSA-N 1 2 340.471 2.080 20 30 EEEDLO C[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000133003011 462893270 /nfs/dbraw/zinc/89/32/70/462893270.db2.gz MEGRPNBTBFPVLF-BQFCYCMXSA-N 1 2 344.459 2.440 20 30 EEEDLO COc1ccsc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000091936585 462914487 /nfs/dbraw/zinc/91/44/87/462914487.db2.gz FRNYYXNQFDKNLN-GFCCVEGCSA-N 1 2 329.429 2.129 20 30 EEEDLO COc1ccsc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000091936585 462914494 /nfs/dbraw/zinc/91/44/94/462914494.db2.gz FRNYYXNQFDKNLN-GFCCVEGCSA-N 1 2 329.429 2.129 20 30 EEEDLO C#CC[N@H+](Cc1cccc(-c2ccncc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092193970 462933219 /nfs/dbraw/zinc/93/32/19/462933219.db2.gz CGNZMYUCBRAWNT-IBGZPJMESA-N 1 2 340.448 2.371 20 30 EEEDLO C#CC[N@@H+](Cc1cccc(-c2ccncc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092193970 462933225 /nfs/dbraw/zinc/93/32/25/462933225.db2.gz CGNZMYUCBRAWNT-IBGZPJMESA-N 1 2 340.448 2.371 20 30 EEEDLO C#CCOc1ccccc1C[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000120604061 463017028 /nfs/dbraw/zinc/01/70/28/463017028.db2.gz XDDYXKLOJLTPAA-UHFFFAOYSA-N 1 2 325.412 2.313 20 30 EEEDLO Cc1oc(NC(=O)CN2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000156432691 463024385 /nfs/dbraw/zinc/02/43/85/463024385.db2.gz LHUCUYOWCOGRQK-BLLLJJGKSA-N 1 2 341.415 2.486 20 30 EEEDLO N#CCC[C@@H](C#N)CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000024097492 463078330 /nfs/dbraw/zinc/07/83/30/463078330.db2.gz XQNHHRYIQYZZGM-KRWDZBQOSA-N 1 2 340.427 2.019 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000052635847 463096444 /nfs/dbraw/zinc/09/64/44/463096444.db2.gz PRIWQSWUXPIDHW-CQSZACIVSA-N 1 2 334.851 2.223 20 30 EEEDLO C[C@@H](OCC1CC1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000068288991 463116461 /nfs/dbraw/zinc/11/64/61/463116461.db2.gz ZZOJPFKTUVGCPD-OAHLLOKOSA-N 1 2 327.428 2.018 20 30 EEEDLO CC(C)(C#N)c1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000135100578 463118200 /nfs/dbraw/zinc/11/82/00/463118200.db2.gz KFTSTHOEGYZTMX-GOSISDBHSA-N 1 2 341.455 2.311 20 30 EEEDLO C#CCNC(=O)[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000026333544 463158484 /nfs/dbraw/zinc/15/84/84/463158484.db2.gz SOMWMCSHWFOMMB-JTQLQIEISA-N 1 2 342.226 2.002 20 30 EEEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000026333544 463158489 /nfs/dbraw/zinc/15/84/89/463158489.db2.gz SOMWMCSHWFOMMB-JTQLQIEISA-N 1 2 342.226 2.002 20 30 EEEDLO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000121570943 463160573 /nfs/dbraw/zinc/16/05/73/463160573.db2.gz WBXIEPZUVNOFBH-AEFFLSMTSA-N 1 2 328.460 2.124 20 30 EEEDLO C=CCOCCCC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000079337519 463207509 /nfs/dbraw/zinc/20/75/09/463207509.db2.gz ZMGZUZKFIZNWIY-LJQANCHMSA-N 1 2 346.471 2.467 20 30 EEEDLO C[C@H]1CCC[C@H](C)N1C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158158336 463210975 /nfs/dbraw/zinc/21/09/75/463210975.db2.gz OUANKCWHKJYSKO-STQMWFEESA-N 1 2 331.416 2.048 20 30 EEEDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000031254903 463330961 /nfs/dbraw/zinc/33/09/61/463330961.db2.gz RPITVHYVDKPJDI-ZDUSSCGKSA-N 1 2 335.429 2.366 20 30 EEEDLO CCOC(=O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000031254903 463330966 /nfs/dbraw/zinc/33/09/66/463330966.db2.gz RPITVHYVDKPJDI-ZDUSSCGKSA-N 1 2 335.429 2.366 20 30 EEEDLO CCOC(=O)c1cccc(OC[C@H](O)C[N@H+](CC#N)C2CCCC2)c1 ZINC000151122946 463479259 /nfs/dbraw/zinc/47/92/59/463479259.db2.gz UXKRLIINSXVUKO-QGZVFWFLSA-N 1 2 346.427 2.371 20 30 EEEDLO CCOC(=O)c1cccc(OC[C@H](O)C[N@@H+](CC#N)C2CCCC2)c1 ZINC000151122946 463479263 /nfs/dbraw/zinc/47/92/63/463479263.db2.gz UXKRLIINSXVUKO-QGZVFWFLSA-N 1 2 346.427 2.371 20 30 EEEDLO Cc1cccc(S(=O)(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C#N ZINC000151281886 463507174 /nfs/dbraw/zinc/50/71/74/463507174.db2.gz CEZBMNSAMHLPMC-GOEBONIOSA-N 1 2 344.440 2.335 20 30 EEEDLO N#CC1CC[NH+](CC(=O)NCC2(c3ccccc3)CCOCC2)CC1 ZINC000057874728 463526114 /nfs/dbraw/zinc/52/61/14/463526114.db2.gz UVTXJDJEJBTSMK-UHFFFAOYSA-N 1 2 341.455 2.087 20 30 EEEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1C ZINC000058506853 463605521 /nfs/dbraw/zinc/60/55/21/463605521.db2.gz IQBYHNDBMGUVIB-UHFFFAOYSA-N 1 2 345.424 2.399 20 30 EEEDLO CCc1nc(CN2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)no1 ZINC000126509951 463642654 /nfs/dbraw/zinc/64/26/54/463642654.db2.gz DNAMPRNYWXHVLK-UHFFFAOYSA-N 1 2 344.846 2.455 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c1C ZINC000177555821 463735819 /nfs/dbraw/zinc/73/58/19/463735819.db2.gz LPIXGUUCQQJGNC-KRWDZBQOSA-N 1 2 329.444 2.217 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c1C ZINC000177555821 463735821 /nfs/dbraw/zinc/73/58/21/463735821.db2.gz LPIXGUUCQQJGNC-KRWDZBQOSA-N 1 2 329.444 2.217 20 30 EEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000287134795 463811089 /nfs/dbraw/zinc/81/10/89/463811089.db2.gz BAGZHTYTPDYEMJ-CYBMUJFWSA-N 1 2 334.401 2.284 20 30 EEEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1ccc(C#N)o1 ZINC000287372980 463882627 /nfs/dbraw/zinc/88/26/27/463882627.db2.gz MZQUHOAGLHRIME-UHFFFAOYSA-N 1 2 336.417 2.011 20 30 EEEDLO Cc1c(Br)cc(C#N)c(=O)n1Cc1[nH+]cc(Cl)n1C ZINC000185926709 463906788 /nfs/dbraw/zinc/90/67/88/463906788.db2.gz UKQDSVAPYIXOJD-UHFFFAOYSA-N 1 2 341.596 2.226 20 30 EEEDLO Cc1c(Br)cc(C#N)c(=O)n1Cc1[nH+]ccn1C(F)F ZINC000185932946 463907728 /nfs/dbraw/zinc/90/77/28/463907728.db2.gz UWXPBERTWNKPEF-UHFFFAOYSA-N 1 2 343.131 2.431 20 30 EEEDLO NC(=[NH+]OCc1nnc2n1CCCC2)c1cccc(C(F)(F)F)c1 ZINC000278187172 463958321 /nfs/dbraw/zinc/95/83/21/463958321.db2.gz DFWUGCAORPIDGJ-UHFFFAOYSA-N 1 2 339.321 2.470 20 30 EEEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000287655633 463959395 /nfs/dbraw/zinc/95/93/95/463959395.db2.gz WSDXROFNGNDXEI-UHFFFAOYSA-N 1 2 336.399 2.319 20 30 EEEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(c2nccc(C#N)c2Cl)C1 ZINC000342994854 465441768 /nfs/dbraw/zinc/44/17/68/465441768.db2.gz PRGLQPDPZAWZKP-ZDUSSCGKSA-N 1 2 328.807 2.107 20 30 EEEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(c2nccc(C#N)c2Cl)C1 ZINC000342994854 465441775 /nfs/dbraw/zinc/44/17/75/465441775.db2.gz PRGLQPDPZAWZKP-ZDUSSCGKSA-N 1 2 328.807 2.107 20 30 EEEDLO COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000179129775 464063921 /nfs/dbraw/zinc/06/39/21/464063921.db2.gz CKLMQGPNJVJTJC-ZDUSSCGKSA-N 1 2 335.791 2.178 20 30 EEEDLO COC(=O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000179129775 464063928 /nfs/dbraw/zinc/06/39/28/464063928.db2.gz CKLMQGPNJVJTJC-ZDUSSCGKSA-N 1 2 335.791 2.178 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cn1 ZINC000289619518 464086930 /nfs/dbraw/zinc/08/69/30/464086930.db2.gz YWNPEODADWHPAO-UHFFFAOYSA-N 1 2 329.429 2.049 20 30 EEEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000198733475 464093196 /nfs/dbraw/zinc/09/31/96/464093196.db2.gz TYSGCMDQRQKMQG-UHFFFAOYSA-N 1 2 347.484 2.175 20 30 EEEDLO C=C[C@@H](CO)[NH2+]Cc1ncc(Br)cc1Br ZINC000290003923 464103523 /nfs/dbraw/zinc/10/35/23/464103523.db2.gz YJVWBTZHOCBOAP-QMMMGPOBSA-N 1 2 336.027 2.243 20 30 EEEDLO CCCCCNC(=O)C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000591025979 468396421 /nfs/dbraw/zinc/39/64/21/468396421.db2.gz PBINEQTUUQJSMC-GOSISDBHSA-N 1 2 346.450 2.314 20 30 EEEDLO Cc1nsc(N2CC[NH+](Cc3cccc4c3OCO4)CC2)c1C#N ZINC000291656619 464157898 /nfs/dbraw/zinc/15/78/98/464157898.db2.gz VBXMMVBPHGEVRI-UHFFFAOYSA-N 1 2 342.424 2.374 20 30 EEEDLO C=C(C)CS(=O)(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000280490050 464213211 /nfs/dbraw/zinc/21/32/11/464213211.db2.gz BMLAVDUESVUPHY-HNNXBMFYSA-N 1 2 338.473 2.280 20 30 EEEDLO C=C(C)CS(=O)(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000280539911 464217554 /nfs/dbraw/zinc/21/75/54/464217554.db2.gz HUEYJTBVLPNRQP-INIZCTEOSA-N 1 2 340.514 2.100 20 30 EEEDLO C=C(C)CS(=O)(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000280539911 464217556 /nfs/dbraw/zinc/21/75/56/464217556.db2.gz HUEYJTBVLPNRQP-INIZCTEOSA-N 1 2 340.514 2.100 20 30 EEEDLO C#CC[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000270402509 464254270 /nfs/dbraw/zinc/25/42/70/464254270.db2.gz JVKQDSKOYMOICG-QGZVFWFLSA-N 1 2 329.444 2.161 20 30 EEEDLO C#CC[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000270402509 464254277 /nfs/dbraw/zinc/25/42/77/464254277.db2.gz JVKQDSKOYMOICG-QGZVFWFLSA-N 1 2 329.444 2.161 20 30 EEEDLO N#Cc1c(F)cccc1N1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000188560462 464311702 /nfs/dbraw/zinc/31/17/02/464311702.db2.gz ANOXPEBCNQHEEW-NSHDSACASA-N 1 2 331.313 2.133 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000281122041 464339065 /nfs/dbraw/zinc/33/90/65/464339065.db2.gz WYEQFAMKECNGBJ-PBHICJAKSA-N 1 2 328.416 2.423 20 30 EEEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC3(CC2)OCCCO3)c(C#N)c1C ZINC000292908687 464377048 /nfs/dbraw/zinc/37/70/48/464377048.db2.gz FEYPXRLKLVRTCV-ZDUSSCGKSA-N 1 2 347.415 2.324 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1=O ZINC000281258640 464390981 /nfs/dbraw/zinc/39/09/81/464390981.db2.gz HHTLHHPLTLQGOQ-DOTOQJQBSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1=O ZINC000281258640 464390983 /nfs/dbraw/zinc/39/09/83/464390983.db2.gz HHTLHHPLTLQGOQ-DOTOQJQBSA-N 1 2 329.444 2.349 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245481223 464486462 /nfs/dbraw/zinc/48/64/62/464486462.db2.gz YBPINFMHIOUNEX-NMCNPDOESA-N 1 2 349.500 2.471 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245481223 464486467 /nfs/dbraw/zinc/48/64/67/464486467.db2.gz YBPINFMHIOUNEX-NMCNPDOESA-N 1 2 349.500 2.471 20 30 EEEDLO N#CCN(CC#N)C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000182272970 464616519 /nfs/dbraw/zinc/61/65/19/464616519.db2.gz PJTRMWZQVUILDS-UHFFFAOYSA-N 1 2 349.394 2.033 20 30 EEEDLO CC(C)(C)[C@](C)(C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000272459355 464620367 /nfs/dbraw/zinc/62/03/67/464620367.db2.gz YABLFFJPXSKBRE-APWZRJJASA-N 1 2 329.444 2.332 20 30 EEEDLO CC(C)(C)[C@](C)(C#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000272459355 464620375 /nfs/dbraw/zinc/62/03/75/464620375.db2.gz YABLFFJPXSKBRE-APWZRJJASA-N 1 2 329.444 2.332 20 30 EEEDLO C=CC[N@@H+](CCC(=O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000182652759 464702231 /nfs/dbraw/zinc/70/22/31/464702231.db2.gz JYPOHWWSJUGRLH-HNNXBMFYSA-N 1 2 325.405 2.074 20 30 EEEDLO C=CC[N@H+](CCC(=O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000182652759 464702234 /nfs/dbraw/zinc/70/22/34/464702234.db2.gz JYPOHWWSJUGRLH-HNNXBMFYSA-N 1 2 325.405 2.074 20 30 EEEDLO C[N@H+](CCOc1ccc(C#N)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265896111 464724181 /nfs/dbraw/zinc/72/41/81/464724181.db2.gz SSAQAYDEEGPLIL-UHFFFAOYSA-N 1 2 344.436 2.473 20 30 EEEDLO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265896111 464724189 /nfs/dbraw/zinc/72/41/89/464724189.db2.gz SSAQAYDEEGPLIL-UHFFFAOYSA-N 1 2 344.436 2.473 20 30 EEEDLO C#CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)C1CC1 ZINC000274015729 464732827 /nfs/dbraw/zinc/73/28/27/464732827.db2.gz BIXZDKCCERBLEV-KRWDZBQOSA-N 1 2 342.439 2.465 20 30 EEEDLO C#CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)C1CC1 ZINC000274015729 464732830 /nfs/dbraw/zinc/73/28/30/464732830.db2.gz BIXZDKCCERBLEV-KRWDZBQOSA-N 1 2 342.439 2.465 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)s3)n2CC=C)CC1 ZINC000282377854 464795160 /nfs/dbraw/zinc/79/51/60/464795160.db2.gz UVNJEMPMEANPGE-UHFFFAOYSA-N 1 2 327.457 2.256 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2Cc2cc(C#N)ccc2F)O1 ZINC000282495877 464840802 /nfs/dbraw/zinc/84/08/02/464840802.db2.gz QICSSVAZQFPDIJ-AHBIMHKDSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2Cc2cc(C#N)ccc2F)O1 ZINC000282495877 464840807 /nfs/dbraw/zinc/84/08/07/464840807.db2.gz QICSSVAZQFPDIJ-AHBIMHKDSA-N 1 2 332.375 2.381 20 30 EEEDLO C=C1CC[NH+](CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000358921356 465365012 /nfs/dbraw/zinc/36/50/12/465365012.db2.gz DLGXTKKBOMDDGV-UHFFFAOYSA-N 1 2 336.457 2.461 20 30 EEEDLO O=C1NCCCN1c1cccc([NH+]=C([O-])N2CCn3c[nH+]cc3C2)c1 ZINC000329545085 465366215 /nfs/dbraw/zinc/36/62/15/465366215.db2.gz ZEEHAPZTLHDPCE-UHFFFAOYSA-N 1 2 340.387 2.069 20 30 EEEDLO CCc1nnc([C@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000348061929 465400058 /nfs/dbraw/zinc/40/00/58/465400058.db2.gz XZEOZCFDNVIOBG-AWEZNQCLSA-N 1 2 325.416 2.382 20 30 EEEDLO C[C@H](NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)c1cc2ccccc2o1 ZINC000329804059 465439620 /nfs/dbraw/zinc/43/96/20/465439620.db2.gz LUDFZUKODIGROO-JDFRZJQESA-N 1 2 329.400 2.423 20 30 EEEDLO C[C@H](NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1cc2ccccc2o1 ZINC000329804059 465439626 /nfs/dbraw/zinc/43/96/26/465439626.db2.gz LUDFZUKODIGROO-JDFRZJQESA-N 1 2 329.400 2.423 20 30 EEEDLO C[C@H](C[C@@H]1CCCO1)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000329876245 465460239 /nfs/dbraw/zinc/46/02/39/465460239.db2.gz HRSPDBDYDUHLNI-CVEARBPZSA-N 1 2 332.448 2.118 20 30 EEEDLO C[C@@H]1C(=O)NCCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000329902631 465468850 /nfs/dbraw/zinc/46/88/50/465468850.db2.gz HUOVHFVGCWOILC-CYBMUJFWSA-N 1 2 327.388 2.337 20 30 EEEDLO COc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1OCC(=O)N1CCCC1 ZINC000352103050 465475537 /nfs/dbraw/zinc/47/55/37/465475537.db2.gz XMCYTAQROGDCAQ-HNNXBMFYSA-N 1 2 345.443 2.288 20 30 EEEDLO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1OCC(=O)N1CCCC1 ZINC000352103050 465475542 /nfs/dbraw/zinc/47/55/42/465475542.db2.gz XMCYTAQROGDCAQ-HNNXBMFYSA-N 1 2 345.443 2.288 20 30 EEEDLO CC(C)n1ncc2ccc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)cc21 ZINC000329928346 465476359 /nfs/dbraw/zinc/47/63/59/465476359.db2.gz MHQRNILBFCUYRL-DLBZAZTESA-N 1 2 343.431 2.178 20 30 EEEDLO CC(C)n1ncc2ccc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)cc21 ZINC000329928346 465476365 /nfs/dbraw/zinc/47/63/65/465476365.db2.gz MHQRNILBFCUYRL-DLBZAZTESA-N 1 2 343.431 2.178 20 30 EEEDLO CCN1CCN(C(=O)NCc2sc(C)nc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330000059 465501702 /nfs/dbraw/zinc/50/17/02/465501702.db2.gz VWFHEIGYHOWNAJ-CYBMUJFWSA-N 1 2 348.476 2.276 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000352325512 465516575 /nfs/dbraw/zinc/51/65/75/465516575.db2.gz SZBWMHQZIYEISM-AEFFLSMTSA-N 1 2 343.471 2.363 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000352325512 465516577 /nfs/dbraw/zinc/51/65/77/465516577.db2.gz SZBWMHQZIYEISM-AEFFLSMTSA-N 1 2 343.471 2.363 20 30 EEEDLO CCN1CCN(C(=O)Nc2cccc(OC)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330066228 465521624 /nfs/dbraw/zinc/52/16/24/465521624.db2.gz SQWIMDCILQIPPG-OAHLLOKOSA-N 1 2 329.404 2.343 20 30 EEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(Cl)cc2C)CC1 ZINC000352560444 465538308 /nfs/dbraw/zinc/53/83/08/465538308.db2.gz FORXUKZQVPUVDO-HNNXBMFYSA-N 1 2 335.879 2.457 20 30 EEEDLO C=CCNC(=O)[C@H](C)N1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000352560444 465538309 /nfs/dbraw/zinc/53/83/09/465538309.db2.gz FORXUKZQVPUVDO-HNNXBMFYSA-N 1 2 335.879 2.457 20 30 EEEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000330131364 465543550 /nfs/dbraw/zinc/54/35/50/465543550.db2.gz FPVFIBPNEQSSSM-CJNGLKHVSA-N 1 2 348.447 2.092 20 30 EEEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000330131364 465543556 /nfs/dbraw/zinc/54/35/56/465543556.db2.gz FPVFIBPNEQSSSM-CJNGLKHVSA-N 1 2 348.447 2.092 20 30 EEEDLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC000348324183 465550335 /nfs/dbraw/zinc/55/03/35/465550335.db2.gz REPKUXOVVSLMMJ-INIZCTEOSA-N 1 2 325.416 2.394 20 30 EEEDLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC000348324183 465550338 /nfs/dbraw/zinc/55/03/38/465550338.db2.gz REPKUXOVVSLMMJ-INIZCTEOSA-N 1 2 325.416 2.394 20 30 EEEDLO C[N@H+](C[C@@H]1OCCc2ccccc21)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360293064 465554241 /nfs/dbraw/zinc/55/42/41/465554241.db2.gz PDGVRUXQRDVPHP-RBUKOAKNSA-N 1 2 335.407 2.330 20 30 EEEDLO C[N@@H+](C[C@@H]1OCCc2ccccc21)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360293064 465554245 /nfs/dbraw/zinc/55/42/45/465554245.db2.gz PDGVRUXQRDVPHP-RBUKOAKNSA-N 1 2 335.407 2.330 20 30 EEEDLO CCc1onc(C)c1NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000330326775 465613287 /nfs/dbraw/zinc/61/32/87/465613287.db2.gz KHUMRRUZOPCAOZ-LBPRGKRZSA-N 1 2 332.408 2.193 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccco1)C[C@H]1CCCO1)C1CC1 ZINC000299131409 465616573 /nfs/dbraw/zinc/61/65/73/465616573.db2.gz LVBXKXXHAGOIJK-SJLPKXTDSA-N 1 2 331.416 2.069 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccco1)C[C@H]1CCCO1)C1CC1 ZINC000299131409 465616579 /nfs/dbraw/zinc/61/65/79/465616579.db2.gz LVBXKXXHAGOIJK-SJLPKXTDSA-N 1 2 331.416 2.069 20 30 EEEDLO COc1cc(OC)cc([C@H](Nc2ccnc(C#N)c2)c2[nH+]ccn2C)c1 ZINC000339969164 465647467 /nfs/dbraw/zinc/64/74/67/465647467.db2.gz NEHNHZTWBAWIOP-SFHVURJKSA-N 1 2 349.394 2.327 20 30 EEEDLO CC[C@H](CC#N)[NH2+]CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000594009486 468458402 /nfs/dbraw/zinc/45/84/02/468458402.db2.gz VURHSQZXSLHYJM-QGZVFWFLSA-N 1 2 348.878 2.266 20 30 EEEDLO CCN1CCN(C(=O)N[C@H](C)CC(C)(C)OC)C[C@H]1c1[nH]cc[nH+]1 ZINC000331049130 465912241 /nfs/dbraw/zinc/91/22/41/465912241.db2.gz WTCOQEMTTSSRFS-KGLIPLIRSA-N 1 2 337.468 2.206 20 30 EEEDLO COc1cc(C[NH2+][C@H](C)c2nnnn2-c2ccccc2)ccc1C#N ZINC000357296570 465923939 /nfs/dbraw/zinc/92/39/39/465923939.db2.gz LHSAEZKJFGZSQM-CYBMUJFWSA-N 1 2 334.383 2.393 20 30 EEEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ccc(C#N)nn2)c2ccc(Cl)cc2)C1 ZINC000301971618 466071473 /nfs/dbraw/zinc/07/14/73/466071473.db2.gz SMTUOOADSHCJMA-WBVHZDCISA-N 1 2 343.818 2.485 20 30 EEEDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2ccc(C#N)nn2)c2ccc(Cl)cc2)C1 ZINC000301971618 466071477 /nfs/dbraw/zinc/07/14/77/466071477.db2.gz SMTUOOADSHCJMA-WBVHZDCISA-N 1 2 343.818 2.485 20 30 EEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367065159 466104795 /nfs/dbraw/zinc/10/47/95/466104795.db2.gz HCFPKUNHCQLVLL-INIZCTEOSA-N 1 2 326.444 2.340 20 30 EEEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)cn1C ZINC000597184698 468475263 /nfs/dbraw/zinc/47/52/63/468475263.db2.gz ZARNQLAOJMNPMS-UHFFFAOYSA-N 1 2 344.440 2.067 20 30 EEEDLO N#CCOc1ccc(/C=C/C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1 ZINC000367082711 466117596 /nfs/dbraw/zinc/11/75/96/466117596.db2.gz ABEYLRGEBVCSGA-MTGFJVSHSA-N 1 2 348.406 2.170 20 30 EEEDLO Cc1onc(CC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1C#N ZINC000353889228 466234664 /nfs/dbraw/zinc/23/46/64/466234664.db2.gz GGXFHTIMVZPEER-UHFFFAOYSA-N 1 2 349.394 2.001 20 30 EEEDLO Cn1cc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)nn1 ZINC000597210307 468480865 /nfs/dbraw/zinc/48/08/65/468480865.db2.gz KZLFGSFBNQNXBC-UHFFFAOYSA-N 1 2 335.415 2.224 20 30 EEEDLO Cn1cc(C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)nn1 ZINC000597210307 468480868 /nfs/dbraw/zinc/48/08/68/468480868.db2.gz KZLFGSFBNQNXBC-UHFFFAOYSA-N 1 2 335.415 2.224 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000346975950 466293874 /nfs/dbraw/zinc/29/38/74/466293874.db2.gz GLCLYCWZKDOQRJ-MRXNPFEDSA-N 1 2 348.244 2.423 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000346975950 466293880 /nfs/dbraw/zinc/29/38/80/466293880.db2.gz GLCLYCWZKDOQRJ-MRXNPFEDSA-N 1 2 348.244 2.423 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@H+](CCC(=O)Nc3cccnc3)CCO2)c1 ZINC000361861881 466357824 /nfs/dbraw/zinc/35/78/24/466357824.db2.gz IVFCYMGDYINIOI-GOSISDBHSA-N 1 2 336.395 2.355 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@@H+](CCC(=O)Nc3cccnc3)CCO2)c1 ZINC000361861881 466357828 /nfs/dbraw/zinc/35/78/28/466357828.db2.gz IVFCYMGDYINIOI-GOSISDBHSA-N 1 2 336.395 2.355 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000354211877 466383190 /nfs/dbraw/zinc/38/31/90/466383190.db2.gz YSWFJZTVYOBOTN-ACJLOTCBSA-N 1 2 338.398 2.373 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000354211877 466383198 /nfs/dbraw/zinc/38/31/98/466383198.db2.gz YSWFJZTVYOBOTN-ACJLOTCBSA-N 1 2 338.398 2.373 20 30 EEEDLO N#Cc1ccnc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000350363787 466472457 /nfs/dbraw/zinc/47/24/57/466472457.db2.gz ODMQCLKBGWHSMC-UHFFFAOYSA-N 1 2 331.379 2.171 20 30 EEEDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000362186809 466611644 /nfs/dbraw/zinc/61/16/44/466611644.db2.gz CCZOATUKFNHOQE-YJBOKZPZSA-N 1 2 343.427 2.138 20 30 EEEDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000362186809 466611649 /nfs/dbraw/zinc/61/16/49/466611649.db2.gz CCZOATUKFNHOQE-YJBOKZPZSA-N 1 2 343.427 2.138 20 30 EEEDLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CCC(=O)N(C)CCC#N ZINC000376507720 466916781 /nfs/dbraw/zinc/91/67/81/466916781.db2.gz PYTTXLPJQRLERT-CQSZACIVSA-N 1 2 344.463 2.074 20 30 EEEDLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000376507720 466916784 /nfs/dbraw/zinc/91/67/84/466916784.db2.gz PYTTXLPJQRLERT-CQSZACIVSA-N 1 2 344.463 2.074 20 30 EEEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1n[nH]c(C3CC3)c1C#N)C2 ZINC000377134081 467038412 /nfs/dbraw/zinc/03/84/12/467038412.db2.gz ZPKWAGCHBGFVAD-LLVKDONJSA-N 1 2 338.415 2.749 20 30 EEEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1n[nH]c(C3CC3)c1C#N)CC2 ZINC000377134081 467038417 /nfs/dbraw/zinc/03/84/17/467038417.db2.gz ZPKWAGCHBGFVAD-LLVKDONJSA-N 1 2 338.415 2.749 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000374324656 467039443 /nfs/dbraw/zinc/03/94/43/467039443.db2.gz BQVRHDGXTGOKPA-RRGWEWPQSA-N 1 2 336.395 2.352 20 30 EEEDLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(C#N)c(F)c3)[nH+]cn2)C1 ZINC000413311471 467212846 /nfs/dbraw/zinc/21/28/46/467212846.db2.gz DPOXSRUPLRTKJO-SWLSCSKDSA-N 1 2 341.390 2.307 20 30 EEEDLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(C#N)c(F)c3)nc[nH+]2)C1 ZINC000413311471 467212851 /nfs/dbraw/zinc/21/28/51/467212851.db2.gz DPOXSRUPLRTKJO-SWLSCSKDSA-N 1 2 341.390 2.307 20 30 EEEDLO C=CCOc1ccccc1C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000433106300 467292511 /nfs/dbraw/zinc/29/25/11/467292511.db2.gz UIZMUMDXXIPJMP-MRXNPFEDSA-N 1 2 340.427 2.494 20 30 EEEDLO C=CC(C)(C)CNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000452778805 467422853 /nfs/dbraw/zinc/42/28/53/467422853.db2.gz ZIENKXPDDPTDEV-MRXNPFEDSA-N 1 2 346.475 2.346 20 30 EEEDLO C=CC(C)(C)CNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000452778805 467422857 /nfs/dbraw/zinc/42/28/57/467422857.db2.gz ZIENKXPDDPTDEV-MRXNPFEDSA-N 1 2 346.475 2.346 20 30 EEEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000408042793 467499390 /nfs/dbraw/zinc/49/93/90/467499390.db2.gz SWKUPHQMMUZNRY-RYUDHWBXSA-N 1 2 341.864 2.315 20 30 EEEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000408042793 467499394 /nfs/dbraw/zinc/49/93/94/467499394.db2.gz SWKUPHQMMUZNRY-RYUDHWBXSA-N 1 2 341.864 2.315 20 30 EEEDLO CC[C@@H](NC(=O)CCc1c(C)nn(CCC#N)c1C)c1[nH]cc[nH+]1 ZINC000442810815 467577921 /nfs/dbraw/zinc/57/79/21/467577921.db2.gz NHDOWCCSNKRNEH-OAHLLOKOSA-N 1 2 328.420 2.337 20 30 EEEDLO C[C@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000448588998 467594680 /nfs/dbraw/zinc/59/46/80/467594680.db2.gz YGOLJBZIAMMVSB-KSSFIOAISA-N 1 2 347.846 2.413 20 30 EEEDLO Cc1ccn(C[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)c(=O)c1C#N ZINC000496605509 467671919 /nfs/dbraw/zinc/67/19/19/467671919.db2.gz PDRPCGMDTFIVSZ-UHFFFAOYSA-N 1 2 348.447 2.175 20 30 EEEDLO Cc1ccn(C[N@H+](C)CCCN(C)C(=O)OC(C)(C)C)c(=O)c1C#N ZINC000496605509 467671922 /nfs/dbraw/zinc/67/19/22/467671922.db2.gz PDRPCGMDTFIVSZ-UHFFFAOYSA-N 1 2 348.447 2.175 20 30 EEEDLO C=C(CC)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000455533795 467688564 /nfs/dbraw/zinc/68/85/64/467688564.db2.gz JXQVHFGIPNERSX-MSOLQXFVSA-N 1 2 329.444 2.247 20 30 EEEDLO C=C(CC)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000455533795 467688568 /nfs/dbraw/zinc/68/85/68/467688568.db2.gz JXQVHFGIPNERSX-MSOLQXFVSA-N 1 2 329.444 2.247 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)/C=C\c2cccc(C#N)c2)CCO1 ZINC000492671745 467709235 /nfs/dbraw/zinc/70/92/35/467709235.db2.gz NKOSQUIDBAFQNR-CKBPIOJVSA-N 1 2 336.395 2.341 20 30 EEEDLO C[C@H]([C@H](C)Nc1ncc(Br)cc1C#N)[NH+]1CCOCC1 ZINC000450311511 467823301 /nfs/dbraw/zinc/82/33/01/467823301.db2.gz HWAFDKKUJFEYIQ-WDEREUQCSA-N 1 2 339.237 2.237 20 30 EEEDLO COc1cc2c(cc1OC)C[N@@H+]([C@H](C)C(=O)NC1(C#N)CCC1)CC2 ZINC000530337533 467977066 /nfs/dbraw/zinc/97/70/66/467977066.db2.gz KHQCCYYZCOPWRJ-CYBMUJFWSA-N 1 2 343.427 2.013 20 30 EEEDLO COc1cc2c(cc1OC)C[N@H+]([C@H](C)C(=O)NC1(C#N)CCC1)CC2 ZINC000530337533 467977068 /nfs/dbraw/zinc/97/70/68/467977068.db2.gz KHQCCYYZCOPWRJ-CYBMUJFWSA-N 1 2 343.427 2.013 20 30 EEEDLO CCOC(=O)C1([N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)CCCCC1 ZINC000478042524 467994929 /nfs/dbraw/zinc/99/49/29/467994929.db2.gz QKFZPDWZRUYUFT-QGZVFWFLSA-N 1 2 337.464 2.239 20 30 EEEDLO CCOC(=O)C1([N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)CCCCC1 ZINC000478042524 467994931 /nfs/dbraw/zinc/99/49/31/467994931.db2.gz QKFZPDWZRUYUFT-QGZVFWFLSA-N 1 2 337.464 2.239 20 30 EEEDLO CCOC(=O)N(C)C1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000493873297 468001305 /nfs/dbraw/zinc/00/13/05/468001305.db2.gz LYNWBDCIQZCASK-UHFFFAOYSA-N 1 2 344.415 2.049 20 30 EEEDLO CC(C)(C)OC(=O)N1CCC(CN=NC2=[NH+][C@@H]3CCCC[C@H]3N2)CC1 ZINC000493994648 468015383 /nfs/dbraw/zinc/01/53/83/468015383.db2.gz FSSMFQRMAHNJSW-HUUCEWRRSA-N 1 2 349.479 2.479 20 30 EEEDLO C=CCn1cccc1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000488470886 468087917 /nfs/dbraw/zinc/08/79/17/468087917.db2.gz RWUFEZIWVYMIHN-HNNXBMFYSA-N 1 2 340.427 2.224 20 30 EEEDLO CC(C)CN1C[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CCN2C1=O ZINC000488793009 468105059 /nfs/dbraw/zinc/10/50/59/468105059.db2.gz HNOOCSVOBFJYCM-SFHVURJKSA-N 1 2 329.419 2.255 20 30 EEEDLO CC(C)CN1C[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CCN2C1=O ZINC000488793009 468105062 /nfs/dbraw/zinc/10/50/62/468105062.db2.gz HNOOCSVOBFJYCM-SFHVURJKSA-N 1 2 329.419 2.255 20 30 EEEDLO Cc1nc(N2CCN(c3cccc(-n4cccn4)c3C#N)CC2)cc[nH+]1 ZINC000594571306 468624309 /nfs/dbraw/zinc/62/43/09/468624309.db2.gz UVPIEUZNGJZOME-UHFFFAOYSA-N 1 2 345.410 2.169 20 30 EEEDLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150677 468639894 /nfs/dbraw/zinc/63/98/94/468639894.db2.gz GGLWUTGOQMUZEP-KUHUBIRLSA-N 1 2 341.411 2.303 20 30 EEEDLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150677 468639901 /nfs/dbraw/zinc/63/99/01/468639901.db2.gz GGLWUTGOQMUZEP-KUHUBIRLSA-N 1 2 341.411 2.303 20 30 EEEDLO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150518 468640287 /nfs/dbraw/zinc/64/02/87/468640287.db2.gz FVCNFQIDPXJUMM-IQUTYRLHSA-N 1 2 341.411 2.349 20 30 EEEDLO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150518 468640290 /nfs/dbraw/zinc/64/02/90/468640290.db2.gz FVCNFQIDPXJUMM-IQUTYRLHSA-N 1 2 341.411 2.349 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000592151133 468640302 /nfs/dbraw/zinc/64/03/02/468640302.db2.gz MLLXZSNKWDMVJM-KRWDZBQOSA-N 1 2 343.408 2.389 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000592151133 468640304 /nfs/dbraw/zinc/64/03/04/468640304.db2.gz MLLXZSNKWDMVJM-KRWDZBQOSA-N 1 2 343.408 2.389 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(C#N)ccc1Cl)C(C)(C)CO ZINC000597849046 468692396 /nfs/dbraw/zinc/69/23/96/468692396.db2.gz ZDQATMISUFGIDU-AWEZNQCLSA-N 1 2 346.818 2.435 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595631831 468932091 /nfs/dbraw/zinc/93/20/91/468932091.db2.gz JDRFTINOTZXTMQ-OAHLLOKOSA-N 1 2 344.484 2.331 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c1C#N ZINC000595728776 468972442 /nfs/dbraw/zinc/97/24/42/468972442.db2.gz OUHGRWLGJMVIFM-YJBOKZPZSA-N 1 2 349.438 2.153 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c1C#N ZINC000595728776 468972449 /nfs/dbraw/zinc/97/24/49/468972449.db2.gz OUHGRWLGJMVIFM-YJBOKZPZSA-N 1 2 349.438 2.153 20 30 EEEDLO N#CCc1ccc(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)cc1 ZINC000601729933 468990849 /nfs/dbraw/zinc/99/08/49/468990849.db2.gz QOLJEGGZNONGMF-UHFFFAOYSA-N 1 2 335.407 2.416 20 30 EEEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000614924737 469096372 /nfs/dbraw/zinc/09/63/72/469096372.db2.gz LGVMJMIXILGCHB-AEGPPILISA-N 1 2 349.397 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/nfs/dbraw/zinc/70/56/52/676705652.db2.gz RITURDJADVFXDX-UONOGXRCSA-N 1 2 333.457 2.127 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2[nH]cnc2C(F)(F)F)C1 ZINC000971689412 676741439 /nfs/dbraw/zinc/74/14/39/676741439.db2.gz HEIWKFMFXHBATL-VIFPVBQESA-N 1 2 336.745 2.327 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2[nH]cnc2C(F)(F)F)C1 ZINC000971689412 676741440 /nfs/dbraw/zinc/74/14/40/676741440.db2.gz HEIWKFMFXHBATL-VIFPVBQESA-N 1 2 336.745 2.327 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2nc[nH]c2C(F)(F)F)C1 ZINC000971689412 676741441 /nfs/dbraw/zinc/74/14/41/676741441.db2.gz HEIWKFMFXHBATL-VIFPVBQESA-N 1 2 336.745 2.327 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2nc[nH]c2C(F)(F)F)C1 ZINC000971689412 676741443 /nfs/dbraw/zinc/74/14/43/676741443.db2.gz HEIWKFMFXHBATL-VIFPVBQESA-N 1 2 336.745 2.327 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3noc(CCC)n3)C2)cc1 ZINC001022527480 677825690 /nfs/dbraw/zinc/82/56/90/677825690.db2.gz YVMZAYJKGAZBFC-IYBDPMFKSA-N 1 2 338.411 2.054 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2noc3c2COCC3)C1 ZINC000972072885 678208617 /nfs/dbraw/zinc/20/86/17/678208617.db2.gz MMFNQLWGJHVIIP-AWEZNQCLSA-N 1 2 347.459 2.382 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2noc3c2COCC3)C1 ZINC000972072885 678208619 /nfs/dbraw/zinc/20/86/19/678208619.db2.gz MMFNQLWGJHVIIP-AWEZNQCLSA-N 1 2 347.459 2.382 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([N@H+](C)Cc2noc3c2COCC3)C1 ZINC000972246998 678445614 /nfs/dbraw/zinc/44/56/14/678445614.db2.gz RMYFNLZKWVIFHA-LIRRHRJNSA-N 1 2 347.459 2.382 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)Cc2noc3c2COCC3)C1 ZINC000972246998 678445617 /nfs/dbraw/zinc/44/56/17/678445617.db2.gz RMYFNLZKWVIFHA-LIRRHRJNSA-N 1 2 347.459 2.382 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3coc(C(C)(C)C)n3)C2)C1 ZINC000972379899 678630618 /nfs/dbraw/zinc/63/06/18/678630618.db2.gz BZQDHDVWKLGJMZ-SFHVURJKSA-N 1 2 333.432 2.075 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3coc(C(C)(C)C)n3)C2)C1 ZINC000972379899 678630620 /nfs/dbraw/zinc/63/06/20/678630620.db2.gz BZQDHDVWKLGJMZ-SFHVURJKSA-N 1 2 333.432 2.075 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 ZINC000972454757 678777787 /nfs/dbraw/zinc/77/77/87/678777787.db2.gz XXCJCFALJMPFCS-OAQYLSRUSA-N 1 2 349.434 2.027 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 ZINC000972454757 678777791 /nfs/dbraw/zinc/77/77/91/678777791.db2.gz XXCJCFALJMPFCS-OAQYLSRUSA-N 1 2 349.434 2.027 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)[nH]c4ccccc43)C2)C1 ZINC000972456072 678779802 /nfs/dbraw/zinc/77/98/02/678779802.db2.gz QTWNNJNANXXFQL-HXUWFJFHSA-N 1 2 337.423 2.026 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)[nH]c4ccccc43)C2)C1 ZINC000972456072 678779804 /nfs/dbraw/zinc/77/98/04/678779804.db2.gz QTWNNJNANXXFQL-HXUWFJFHSA-N 1 2 337.423 2.026 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc4c3O[C@@H](C)C4)C2)C1 ZINC000972467500 678811360 /nfs/dbraw/zinc/81/13/60/678811360.db2.gz ZCBLHCBQKOQOBG-MGPUTAFESA-N 1 2 342.439 2.113 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc4c3O[C@@H](C)C4)C2)C1 ZINC000972467500 678811365 /nfs/dbraw/zinc/81/13/65/678811365.db2.gz ZCBLHCBQKOQOBG-MGPUTAFESA-N 1 2 342.439 2.113 20 30 EEEDLO CC1(C)C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cocn1 ZINC000972860716 679822301 /nfs/dbraw/zinc/82/23/01/679822301.db2.gz SJIONLOJSVIRRO-QGZVFWFLSA-N 1 2 341.386 2.306 20 30 EEEDLO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cocn1 ZINC000972860716 679822302 /nfs/dbraw/zinc/82/23/02/679822302.db2.gz SJIONLOJSVIRRO-QGZVFWFLSA-N 1 2 341.386 2.306 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)c3cccnc3)C2)C1 ZINC000972580778 679346001 /nfs/dbraw/zinc/34/60/01/679346001.db2.gz BFAKYHRSTYJKMY-LPHOPBHVSA-N 1 2 329.444 2.065 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)c3cccnc3)C2)C1 ZINC000972580778 679346002 /nfs/dbraw/zinc/34/60/02/679346002.db2.gz BFAKYHRSTYJKMY-LPHOPBHVSA-N 1 2 329.444 2.065 20 30 EEEDLO CCN(C(=O)C1=COCCC1)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000949773652 679410611 /nfs/dbraw/zinc/41/06/11/679410611.db2.gz UMKFQEYAZJWIGG-UHFFFAOYSA-N 1 2 325.412 2.285 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4cccnc4s3)C2)C1 ZINC000972624363 679446780 /nfs/dbraw/zinc/44/67/80/679446780.db2.gz NIRIIVCRCUNIHF-SFHVURJKSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4cccnc4s3)C2)C1 ZINC000972624363 679446781 /nfs/dbraw/zinc/44/67/81/679446781.db2.gz NIRIIVCRCUNIHF-SFHVURJKSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4ccncc4c3)C2)C1 ZINC000972628101 679454293 /nfs/dbraw/zinc/45/42/93/679454293.db2.gz NRPRYOCPPVGEKL-FQEVSTJZSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4ccncc4c3)C2)C1 ZINC000972628101 679454295 /nfs/dbraw/zinc/45/42/95/679454295.db2.gz NRPRYOCPPVGEKL-FQEVSTJZSA-N 1 2 337.423 2.338 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C)c(C)c3)C2)C1 ZINC000972662524 679531467 /nfs/dbraw/zinc/53/14/67/679531467.db2.gz QKWPMWMSOJRZEO-FQEVSTJZSA-N 1 2 326.440 2.244 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C)c(C)c3)C2)C1 ZINC000972662524 679531470 /nfs/dbraw/zinc/53/14/70/679531470.db2.gz QKWPMWMSOJRZEO-FQEVSTJZSA-N 1 2 326.440 2.244 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2cnns2)c1 ZINC001024347982 679877888 /nfs/dbraw/zinc/87/78/88/679877888.db2.gz CNHJJPBBBCDBRM-OAHLLOKOSA-N 1 2 341.440 2.194 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2cnns2)c1 ZINC001024347982 679877889 /nfs/dbraw/zinc/87/78/89/679877889.db2.gz CNHJJPBBBCDBRM-OAHLLOKOSA-N 1 2 341.440 2.194 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cncc3C2)C(C)(C)C1 ZINC000974741555 685383778 /nfs/dbraw/zinc/38/37/78/685383778.db2.gz IPBRXZZPCIDRCL-DZGCQCFKSA-N 1 2 336.867 2.025 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3cncc3C2)C(C)(C)C1 ZINC000974741555 685383785 /nfs/dbraw/zinc/38/37/85/685383785.db2.gz IPBRXZZPCIDRCL-DZGCQCFKSA-N 1 2 336.867 2.025 20 30 EEEDLO Cc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c1C ZINC001028453159 681454418 /nfs/dbraw/zinc/45/44/18/681454418.db2.gz VVOQIOLFECZWOA-CYBMUJFWSA-N 1 2 343.456 2.212 20 30 EEEDLO Cc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c1C ZINC001028453159 681454422 /nfs/dbraw/zinc/45/44/22/681454422.db2.gz VVOQIOLFECZWOA-CYBMUJFWSA-N 1 2 343.456 2.212 20 30 EEEDLO Cc1cnc(C[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)s1 ZINC000973046152 681931045 /nfs/dbraw/zinc/93/10/45/681931045.db2.gz ARFVOZYXNONQBS-CQSZACIVSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1cnc(C[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)s1 ZINC000973046152 681931047 /nfs/dbraw/zinc/93/10/47/681931047.db2.gz ARFVOZYXNONQBS-CQSZACIVSA-N 1 2 343.456 2.292 20 30 EEEDLO CCCCNC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782948955 682031803 /nfs/dbraw/zinc/03/18/03/682031803.db2.gz ACOVBQOUIZBKFT-UHFFFAOYSA-N 1 2 328.210 2.002 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@@H]2CCN(c3ccncc3C#N)C2)c(C)[nH+]1 ZINC001058614912 682072186 /nfs/dbraw/zinc/07/21/86/682072186.db2.gz YUEBZCJILLJZFO-MRXNPFEDSA-N 1 2 335.411 2.282 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+]1Cc1nncn1C ZINC001025258115 682336142 /nfs/dbraw/zinc/33/61/42/682336142.db2.gz IPHFXHLXPWGCRX-HOTGVXAUSA-N 1 2 345.491 2.373 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1nncn1C ZINC001025258115 682336145 /nfs/dbraw/zinc/33/61/45/682336145.db2.gz IPHFXHLXPWGCRX-HOTGVXAUSA-N 1 2 345.491 2.373 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C/C(Cl)=C\Cl)C2)cn1 ZINC001028941182 682521301 /nfs/dbraw/zinc/52/13/01/682521301.db2.gz URFLOKGBPFAMQY-FUEWVNAISA-N 1 2 338.238 2.434 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C/C(Cl)=C\Cl)C2)cn1 ZINC001028941182 682521303 /nfs/dbraw/zinc/52/13/03/682521303.db2.gz URFLOKGBPFAMQY-FUEWVNAISA-N 1 2 338.238 2.434 20 30 EEEDLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc(C)cc(C#N)c2)C1 ZINC000909405491 682585075 /nfs/dbraw/zinc/58/50/75/682585075.db2.gz WRJJZCKHQAJGJZ-HNNXBMFYSA-N 1 2 329.400 2.080 20 30 EEEDLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C)cc(C#N)c2)C1 ZINC000909405491 682585079 /nfs/dbraw/zinc/58/50/79/682585079.db2.gz WRJJZCKHQAJGJZ-HNNXBMFYSA-N 1 2 329.400 2.080 20 30 EEEDLO C#CC[C@H]([NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC ZINC000894854248 683200182 /nfs/dbraw/zinc/20/01/82/683200182.db2.gz GJNUUHARKKNEHA-KSSFIOAISA-N 1 2 338.448 2.178 20 30 EEEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000914298098 683460643 /nfs/dbraw/zinc/46/06/43/683460643.db2.gz ONCDZRPTVZXVRL-INIZCTEOSA-N 1 2 347.465 2.226 20 30 EEEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000914298098 683460649 /nfs/dbraw/zinc/46/06/49/683460649.db2.gz ONCDZRPTVZXVRL-INIZCTEOSA-N 1 2 347.465 2.226 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccon2)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000993044750 683793347 /nfs/dbraw/zinc/79/33/47/683793347.db2.gz AXRDOVOKNFBMCR-WBMJQRKESA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccon2)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000993044750 683793352 /nfs/dbraw/zinc/79/33/52/683793352.db2.gz AXRDOVOKNFBMCR-WBMJQRKESA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cn[nH]c2)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000993111597 683936977 /nfs/dbraw/zinc/93/69/77/683936977.db2.gz KSETWDZKQGJKCN-PXAZEXFGSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cn[nH]c2)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000993111597 683936978 /nfs/dbraw/zinc/93/69/78/683936978.db2.gz KSETWDZKQGJKCN-PXAZEXFGSA-N 1 2 341.390 2.203 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3nocc3C)C2)nc1 ZINC001027656033 693810815 /nfs/dbraw/zinc/81/08/15/693810815.db2.gz IVTYALVWGWLBJF-MRXNPFEDSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3nocc3C)C2)nc1 ZINC001027656033 693810818 /nfs/dbraw/zinc/81/08/18/693810818.db2.gz IVTYALVWGWLBJF-MRXNPFEDSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)[C@H](C)c3ncccn3)C2)nc1 ZINC001027656334 693813164 /nfs/dbraw/zinc/81/31/64/693813164.db2.gz NNYCNIZAEIDSSJ-WBVHZDCISA-N 1 2 349.438 2.151 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)[C@H](C)c3ncccn3)C2)nc1 ZINC001027656334 693813169 /nfs/dbraw/zinc/81/31/69/693813169.db2.gz NNYCNIZAEIDSSJ-WBVHZDCISA-N 1 2 349.438 2.151 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@H](Nc4ncccc4C#N)C3)ccn12 ZINC001059311577 684104744 /nfs/dbraw/zinc/10/47/44/684104744.db2.gz NNOILYWKUHGOQX-WKILWMFISA-N 1 2 346.394 2.282 20 30 EEEDLO O=C1[C@H]([NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)CCCN1O ZINC000895158658 684147358 /nfs/dbraw/zinc/14/73/58/684147358.db2.gz LZEPTLAIGVFEKB-SECBINFHSA-N 1 2 329.187 2.111 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC001027664573 693847460 /nfs/dbraw/zinc/84/74/60/693847460.db2.gz WPKAAFVGMKGOPM-IBGZPJMESA-N 1 2 348.450 2.123 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC001027664573 693847464 /nfs/dbraw/zinc/84/74/64/693847464.db2.gz WPKAAFVGMKGOPM-IBGZPJMESA-N 1 2 348.450 2.123 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc3c([nH]2)CCOC3)C(C)(C)C1 ZINC000974660871 685171922 /nfs/dbraw/zinc/17/19/22/685171922.db2.gz FGVYOXWALLUKPD-HNNXBMFYSA-N 1 2 337.851 2.280 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc3c([nH]2)CCOC3)C(C)(C)C1 ZINC000974660871 685171923 /nfs/dbraw/zinc/17/19/23/685171923.db2.gz FGVYOXWALLUKPD-HNNXBMFYSA-N 1 2 337.851 2.280 20 30 EEEDLO C=CCCCC(=O)NCC[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001060094940 693964021 /nfs/dbraw/zinc/96/40/21/693964021.db2.gz QACDIKARAGYDDU-MRXNPFEDSA-N 1 2 346.475 2.064 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2nnn(CC)c2CC)C(C)(C)C1 ZINC000975029048 686080320 /nfs/dbraw/zinc/08/03/20/686080320.db2.gz AOJYXGGZAQKPGU-ZDUSSCGKSA-N 1 2 339.871 2.053 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2nnn(CC)c2CC)C(C)(C)C1 ZINC000975029048 686080322 /nfs/dbraw/zinc/08/03/22/686080322.db2.gz AOJYXGGZAQKPGU-ZDUSSCGKSA-N 1 2 339.871 2.053 20 30 EEEDLO Cc1nc[nH]c1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029609929 686503539 /nfs/dbraw/zinc/50/35/39/686503539.db2.gz DPHJDYUAPUVGKA-HDICACEKSA-N 1 2 334.423 2.059 20 30 EEEDLO Cc1nc[nH]c1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029609929 686503546 /nfs/dbraw/zinc/50/35/46/686503546.db2.gz DPHJDYUAPUVGKA-HDICACEKSA-N 1 2 334.423 2.059 20 30 EEEDLO COc1ccc2c(c1OC)O/C(=C/c1c[nH+]c(N(C)C)n1C)C2=O ZINC000840721070 686915479 /nfs/dbraw/zinc/91/54/79/686915479.db2.gz WCEIKJRHDPHBGD-MDWZMJQESA-N 1 2 329.356 2.120 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001027335685 687529569 /nfs/dbraw/zinc/52/95/69/687529569.db2.gz IQPHTLDCHLBJQE-DYVFJYSZSA-N 1 2 328.391 2.280 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001027335685 687529574 /nfs/dbraw/zinc/52/95/74/687529574.db2.gz IQPHTLDCHLBJQE-DYVFJYSZSA-N 1 2 328.391 2.280 20 30 EEEDLO C[N@H+](Cc1nccs1)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001027354317 687646903 /nfs/dbraw/zinc/64/69/03/687646903.db2.gz CJGNANVJTZAOMW-CYBMUJFWSA-N 1 2 329.429 2.079 20 30 EEEDLO C[N@@H+](Cc1nccs1)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001027354317 687646910 /nfs/dbraw/zinc/64/69/10/687646910.db2.gz CJGNANVJTZAOMW-CYBMUJFWSA-N 1 2 329.429 2.079 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)c2cc(C)[nH]n2)C1 ZINC001029916810 688283244 /nfs/dbraw/zinc/28/32/44/688283244.db2.gz CYJYPSWPBWIXKK-GOSISDBHSA-N 1 2 336.439 2.458 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)c2cc(C)[nH]n2)C1 ZINC001029916810 688283249 /nfs/dbraw/zinc/28/32/49/688283249.db2.gz CYJYPSWPBWIXKK-GOSISDBHSA-N 1 2 336.439 2.458 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H]2C[C@@H](NC(=O)c3cccc4[nH+]ccn43)C2)n1 ZINC001059767318 689360676 /nfs/dbraw/zinc/36/06/76/689360676.db2.gz TUZLNPPUQMMNLI-GASCZTMLSA-N 1 2 346.394 2.282 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001059849987 690237762 /nfs/dbraw/zinc/23/77/62/690237762.db2.gz OYXKNPBIPXIFQR-IVSAIRAKSA-N 1 2 330.432 2.215 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc(Br)[nH]n2)C1 ZINC000988911549 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ZINC001481003625 1179462954 /nfs/dbraw/zinc/46/29/54/1179462954.db2.gz HVAAXQMKYJFRIS-ZDUSSCGKSA-N 1 2 343.269 2.181 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)n1 ZINC001088530012 1187171742 /nfs/dbraw/zinc/17/17/42/1187171742.db2.gz ZXRPLLVCPOIGEA-CJNGLKHVSA-N 1 2 340.431 2.057 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)n1 ZINC001088530012 1187171745 /nfs/dbraw/zinc/17/17/45/1187171745.db2.gz ZXRPLLVCPOIGEA-CJNGLKHVSA-N 1 2 340.431 2.057 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1ccncc1Cl ZINC001088533241 1187175015 /nfs/dbraw/zinc/17/50/15/1187175015.db2.gz HINCPTQOVPHOQN-BZNIZROVSA-N 1 2 343.818 2.328 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1ccncc1Cl ZINC001088533241 1187175017 /nfs/dbraw/zinc/17/50/17/1187175017.db2.gz HINCPTQOVPHOQN-BZNIZROVSA-N 1 2 343.818 2.328 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nccs2)[C@@H]1C ZINC001088575784 1187434668 /nfs/dbraw/zinc/43/46/68/1187434668.db2.gz GZOXGVHEGQNQLT-KBXIAJHMSA-N 1 2 335.473 2.203 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nccs2)[C@@H]1C ZINC001088575784 1187434672 /nfs/dbraw/zinc/43/46/72/1187434672.db2.gz GZOXGVHEGQNQLT-KBXIAJHMSA-N 1 2 335.473 2.203 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccn(C)n4)C[C@H]32)CC1 ZINC001076208930 1188783407 /nfs/dbraw/zinc/78/34/07/1188783407.db2.gz QTXTWZPFVYPFRK-FUHWJXTLSA-N 1 2 328.460 2.199 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4ccn(C)n4)C[C@H]32)CC1 ZINC001076208930 1188783408 /nfs/dbraw/zinc/78/34/08/1188783408.db2.gz QTXTWZPFVYPFRK-FUHWJXTLSA-N 1 2 328.460 2.199 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC3(C)CCCC3)C2)nn1 ZINC001098666666 1189145493 /nfs/dbraw/zinc/14/54/93/1189145493.db2.gz CZUPBWFIWFGQCI-QGZVFWFLSA-N 1 2 343.475 2.135 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001077141661 1189355940 /nfs/dbraw/zinc/35/59/40/1189355940.db2.gz 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CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001108107169 1194486651 /nfs/dbraw/zinc/48/66/51/1194486651.db2.gz RZMJVLOERLKWJR-HNNXBMFYSA-N 1 2 344.242 2.166 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001108107169 1194486652 /nfs/dbraw/zinc/48/66/52/1194486652.db2.gz RZMJVLOERLKWJR-HNNXBMFYSA-N 1 2 344.242 2.166 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cc(OC)no3)C2)CC1 ZINC001033388779 1194522230 /nfs/dbraw/zinc/52/22/30/1194522230.db2.gz DWIGUSNAYQVEAR-OAHLLOKOSA-N 1 2 333.432 2.462 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cc(OC)no3)C2)CC1 ZINC001033388779 1194522231 /nfs/dbraw/zinc/52/22/31/1194522231.db2.gz DWIGUSNAYQVEAR-OAHLLOKOSA-N 1 2 333.432 2.462 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3cccn3)n2)C1 ZINC001033413096 1194531325 /nfs/dbraw/zinc/53/13/25/1194531325.db2.gz MCWYITZDYBVOOZ-CQSZACIVSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3cccn3)n2)C1 ZINC001033413096 1194531327 /nfs/dbraw/zinc/53/13/27/1194531327.db2.gz MCWYITZDYBVOOZ-CQSZACIVSA-N 1 2 345.834 2.166 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3nc(C)cs3)C2)c1 ZINC001033405995 1194550364 /nfs/dbraw/zinc/55/03/64/1194550364.db2.gz RAGOWMHCHWBMBU-MRXNPFEDSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3nc(C)cs3)C2)c1 ZINC001033405995 1194550366 /nfs/dbraw/zinc/55/03/66/1194550366.db2.gz RAGOWMHCHWBMBU-MRXNPFEDSA-N 1 2 340.452 2.174 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nc(C)ncc2Cl)C1 ZINC001033467896 1194607390 /nfs/dbraw/zinc/60/73/90/1194607390.db2.gz SNAHJJPVAISRRX-LLVKDONJSA-N 1 2 329.231 2.337 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2nc(C)ncc2Cl)C1 ZINC001033467896 1194607388 /nfs/dbraw/zinc/60/73/88/1194607388.db2.gz SNAHJJPVAISRRX-LLVKDONJSA-N 1 2 329.231 2.337 20 30 EEEDLO CCn1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001033472206 1194629875 /nfs/dbraw/zinc/62/98/75/1194629875.db2.gz UBDOBOARRCNFGH-QGZVFWFLSA-N 1 2 337.427 2.121 20 30 EEEDLO CCn1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001033472206 1194629877 /nfs/dbraw/zinc/62/98/77/1194629877.db2.gz UBDOBOARRCNFGH-QGZVFWFLSA-N 1 2 337.427 2.121 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001005406065 1195385242 /nfs/dbraw/zinc/38/52/42/1195385242.db2.gz IDDTXYMWYVZHPT-SJORKVTESA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnn3ccncc23)C1 ZINC001033859183 1195402067 /nfs/dbraw/zinc/40/20/67/1195402067.db2.gz QGTFINIXFFCHAW-ZDUSSCGKSA-N 1 2 333.823 2.018 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn3ccncc23)C1 ZINC001033859183 1195402069 /nfs/dbraw/zinc/40/20/69/1195402069.db2.gz QGTFINIXFFCHAW-ZDUSSCGKSA-N 1 2 333.823 2.018 20 30 EEEDLO C=C(Cl)CN1CC[C@H](N(CC)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033879605 1195435454 /nfs/dbraw/zinc/43/54/54/1195435454.db2.gz RCEYAQOBXULGNQ-ZDUSSCGKSA-N 1 2 340.855 2.025 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001034126188 1195781049 /nfs/dbraw/zinc/78/10/49/1195781049.db2.gz UYRLMHULEIMNRJ-UONOGXRCSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001034126188 1195781050 /nfs/dbraw/zinc/78/10/50/1195781050.db2.gz UYRLMHULEIMNRJ-UONOGXRCSA-N 1 2 345.281 2.292 20 30 EEEDLO C[C@@H](c1ncccn1)[N@@H+]1CCCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171336 1195894449 /nfs/dbraw/zinc/89/44/49/1195894449.db2.gz NNRLHKJOZGIZFC-ZFWWWQNUSA-N 1 2 338.415 2.022 20 30 EEEDLO C[C@@H](c1ncccn1)[N@H+]1CCCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171336 1195894452 /nfs/dbraw/zinc/89/44/52/1195894452.db2.gz NNRLHKJOZGIZFC-ZFWWWQNUSA-N 1 2 338.415 2.022 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2nccs2)C1 ZINC001034404246 1196197322 /nfs/dbraw/zinc/19/73/22/1196197322.db2.gz QJHHVEYTQMUVEI-ZNMIVQPWSA-N 1 2 335.473 2.205 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2nccs2)C1 ZINC001034404246 1196197324 /nfs/dbraw/zinc/19/73/24/1196197324.db2.gz QJHHVEYTQMUVEI-ZNMIVQPWSA-N 1 2 335.473 2.205 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC001034554316 1196385911 /nfs/dbraw/zinc/38/59/11/1196385911.db2.gz UNYNQTJPHIRYIN-LBPRGKRZSA-N 1 2 341.253 2.211 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC001034554316 1196385916 /nfs/dbraw/zinc/38/59/16/1196385916.db2.gz UNYNQTJPHIRYIN-LBPRGKRZSA-N 1 2 341.253 2.211 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001078970477 1196435796 /nfs/dbraw/zinc/43/57/96/1196435796.db2.gz VKFPHDQSKPOFDD-MRXNPFEDSA-N 1 2 346.475 2.394 20 30 EEEDLO C[C@H](CNc1ncc(C#N)cc1Cl)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001108148759 1196634462 /nfs/dbraw/zinc/63/44/62/1196634462.db2.gz UDEIQCBNZTVWGH-GHMZBOCLSA-N 1 2 346.822 2.125 20 30 EEEDLO C[C@H](CNc1ncc(C#N)cc1Cl)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001108148759 1196634464 /nfs/dbraw/zinc/63/44/64/1196634464.db2.gz UDEIQCBNZTVWGH-GHMZBOCLSA-N 1 2 346.822 2.125 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2C[C@H](C)CO2)CC1 ZINC001005737019 1196779126 /nfs/dbraw/zinc/77/91/26/1196779126.db2.gz WDNCGXUBVYHYBV-SMDDNHRTSA-N 1 2 345.281 2.243 20 30 EEEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)cc(F)cc1F)CC2 ZINC001273174121 1197328600 /nfs/dbraw/zinc/32/86/00/1197328600.db2.gz MIWNSSYIOJVDPL-AWEZNQCLSA-N 1 2 336.357 2.455 20 30 EEEDLO COc1ncc(C[N@@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)s1 ZINC001273223439 1197567764 /nfs/dbraw/zinc/56/77/64/1197567764.db2.gz GQHWRQGSFFFSRN-INIZCTEOSA-N 1 2 334.445 2.022 20 30 EEEDLO COc1ncc(C[N@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)s1 ZINC001273223439 1197567768 /nfs/dbraw/zinc/56/77/68/1197567768.db2.gz GQHWRQGSFFFSRN-INIZCTEOSA-N 1 2 334.445 2.022 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CC2(O)CCC2)CC[C@@H]1C ZINC001132016771 1199211570 /nfs/dbraw/zinc/21/15/70/1199211570.db2.gz JPVKNVCQZPELRH-QWHCGFSZSA-N 1 2 345.281 2.169 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CC2(O)CCC2)CC[C@@H]1C ZINC001132016771 1199211572 /nfs/dbraw/zinc/21/15/72/1199211572.db2.gz JPVKNVCQZPELRH-QWHCGFSZSA-N 1 2 345.281 2.169 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C)CC1 ZINC001011703793 1224534344 /nfs/dbraw/zinc/53/43/44/1224534344.db2.gz GWDURBVONBSVSO-GOEBONIOSA-N 1 2 344.459 2.194 20 30 EEEDLO CC(C)C#CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nnsc1Cl ZINC001134345210 1199507100 /nfs/dbraw/zinc/50/71/00/1199507100.db2.gz RELLPVMVVIZYKV-WDEREUQCSA-N 1 2 328.869 2.224 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cncc(OC)n2)C1 ZINC001132255940 1199514229 /nfs/dbraw/zinc/51/42/29/1199514229.db2.gz HQOHDVUEDLSVQG-CABCVRRESA-N 1 2 332.448 2.311 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cncc(OC)n2)C1 ZINC001132255940 1199514234 /nfs/dbraw/zinc/51/42/34/1199514234.db2.gz HQOHDVUEDLSVQG-CABCVRRESA-N 1 2 332.448 2.311 20 30 EEEDLO CN(C)c1ncc(C=[NH+]NCc2ccc(Br)cc2)cn1 ZINC000814829051 1199755844 /nfs/dbraw/zinc/75/58/44/1199755844.db2.gz HOHRWWHYGDPCII-UHFFFAOYSA-N 1 2 334.221 2.429 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCc2nc(C)no2)CC[C@H]1C ZINC001132488948 1199789233 /nfs/dbraw/zinc/78/92/33/1199789233.db2.gz DJVCWESZOZDDGC-OCCSQVGLSA-N 1 2 340.855 2.422 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCc2nc(C)no2)CC[C@H]1C ZINC001132488948 1199789235 /nfs/dbraw/zinc/78/92/35/1199789235.db2.gz DJVCWESZOZDDGC-OCCSQVGLSA-N 1 2 340.855 2.422 20 30 EEEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc([C@@H](C)OCC(C)C)no1 ZINC001133145296 1200518734 /nfs/dbraw/zinc/51/87/34/1200518734.db2.gz UHJJOIYYUVDKQI-CQSZACIVSA-N 1 2 338.452 2.365 20 30 EEEDLO COc1cccc(C[NH+]2CCN(C(=O)C3(C#N)CC(C)C3)CC2)c1 ZINC000870157472 1200521142 /nfs/dbraw/zinc/52/11/42/1200521142.db2.gz ZCFIHVOOQBWRGF-UHFFFAOYSA-N 1 2 327.428 2.279 20 30 EEEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000878818632 1200695768 /nfs/dbraw/zinc/69/57/68/1200695768.db2.gz TYHXEGSEWHMESM-SOUVJXGZSA-N 1 2 330.432 2.130 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001018396082 1224672088 /nfs/dbraw/zinc/67/20/88/1224672088.db2.gz ADYFEFYFBPYQAN-HUUCEWRRSA-N 1 2 344.459 2.194 20 30 EEEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1nc3ccc(C)cc3[nH]1)CC2 ZINC001273971986 1201867211 /nfs/dbraw/zinc/86/72/11/1201867211.db2.gz ADGJZSGMEJZNBB-OAHLLOKOSA-N 1 2 336.439 2.223 20 30 EEEDLO C[C@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 ZINC000882615442 1201907386 /nfs/dbraw/zinc/90/73/86/1201907386.db2.gz UWONFAHDSLRFJZ-MRXNPFEDSA-N 1 2 347.484 2.389 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NCC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001095343639 1202538993 /nfs/dbraw/zinc/53/89/93/1202538993.db2.gz MJXOWZBRCRPNEH-CQSZACIVSA-N 1 2 332.448 2.099 20 30 EEEDLO C#CCN1CC[C@@]2(CC[N@@H+](Cc3cc(F)c(O)c(Cl)c3)C2)C1=O ZINC001274083866 1204362397 /nfs/dbraw/zinc/36/23/97/1204362397.db2.gz GMZZZEIUGVUZED-QGZVFWFLSA-N 1 2 336.794 2.242 20 30 EEEDLO C#CCN1CC[C@@]2(CC[N@H+](Cc3cc(F)c(O)c(Cl)c3)C2)C1=O ZINC001274083866 1204362399 /nfs/dbraw/zinc/36/23/99/1204362399.db2.gz GMZZZEIUGVUZED-QGZVFWFLSA-N 1 2 336.794 2.242 20 30 EEEDLO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]c1)c1ccc(C#N)cc1 ZINC001274172725 1204435476 /nfs/dbraw/zinc/43/54/76/1204435476.db2.gz MWVZXKGZUOEPHJ-ZOCIIQOWSA-N 1 2 349.438 2.260 20 30 EEEDLO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]c1)c1ccc(C#N)cc1 ZINC001274172725 1204435479 /nfs/dbraw/zinc/43/54/79/1204435479.db2.gz MWVZXKGZUOEPHJ-ZOCIIQOWSA-N 1 2 349.438 2.260 20 30 EEEDLO C#CCCN(CCOC)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890243161 1204812147 /nfs/dbraw/zinc/81/21/47/1204812147.db2.gz BZFMJBDUTTXYNB-GOSISDBHSA-N 1 2 340.427 2.306 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCC1(C)CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110880325 1204957868 /nfs/dbraw/zinc/95/78/68/1204957868.db2.gz HXMACMKEFLHGLR-AWEZNQCLSA-N 1 2 332.448 2.099 20 30 EEEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(Cl)ccnc1F)CC2 ZINC001274651762 1205115406 /nfs/dbraw/zinc/11/54/06/1205115406.db2.gz JTEKNEDFSQQHGS-ZDUSSCGKSA-N 1 2 335.810 2.226 20 30 EEEDLO CC(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(C#N)ccc3O)C2)C1=O 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MEXUAOAWDLDJDB-KURKYZTESA-N 1 2 328.460 2.225 20 30 EEEDLO COc1cc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)on1 ZINC000926277308 1206210311 /nfs/dbraw/zinc/21/03/11/1206210311.db2.gz ZIFUBRUEMINRRQ-DOMZBBRYSA-N 1 2 340.383 2.007 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(CC)CC ZINC001110928834 1206296414 /nfs/dbraw/zinc/29/64/14/1206296414.db2.gz HQBJAOGQVNGPKL-KURKYZTESA-N 1 2 347.503 2.206 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(CC)CC ZINC001110928834 1206296415 /nfs/dbraw/zinc/29/64/15/1206296415.db2.gz HQBJAOGQVNGPKL-KURKYZTESA-N 1 2 347.503 2.206 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)C ZINC001110934915 1206315513 /nfs/dbraw/zinc/31/55/13/1206315513.db2.gz QXWDLBHXONHQBE-HZMVEIRTSA-N 1 2 335.492 2.082 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)C ZINC001110934915 1206315515 /nfs/dbraw/zinc/31/55/15/1206315515.db2.gz QXWDLBHXONHQBE-HZMVEIRTSA-N 1 2 335.492 2.082 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/nfs/dbraw/zinc/61/59/40/1217615940.db2.gz PWVBNIVALXLMIX-VCOFHXOESA-N 1 2 336.222 2.042 20 30 EEEDLO C#Cc1ccc(C(=O)NC2[C@H]3C[N@H+](C/C(Cl)=C\Cl)C[C@@H]23)cn1 ZINC000962326877 1217615943 /nfs/dbraw/zinc/61/59/43/1217615943.db2.gz PWVBNIVALXLMIX-VCOFHXOESA-N 1 2 336.222 2.042 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001015862183 1225760135 /nfs/dbraw/zinc/76/01/35/1225760135.db2.gz KVNADYSYWCIUHO-OAHLLOKOSA-N 1 2 341.390 2.042 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001015862183 1225760143 /nfs/dbraw/zinc/76/01/43/1225760143.db2.gz KVNADYSYWCIUHO-OAHLLOKOSA-N 1 2 341.390 2.042 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1ncccc1F ZINC001015903807 1225809122 /nfs/dbraw/zinc/80/91/22/1225809122.db2.gz ZNNUMEJTXDFORS-MRXNPFEDSA-N 1 2 341.361 2.216 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)c1ncccc1F ZINC001015903807 1225809126 /nfs/dbraw/zinc/80/91/26/1225809126.db2.gz ZNNUMEJTXDFORS-MRXNPFEDSA-N 1 2 341.361 2.216 20 30 EEEDLO Cc1cc(C)c(C(=O)NC[C@H]2CCCCN2C(=O)[C@@H](C)C#N)c(C)[nH+]1 ZINC000964579827 1218464261 /nfs/dbraw/zinc/46/42/61/1218464261.db2.gz MGSQIMQGSGZDCE-XJKSGUPXSA-N 1 2 342.443 2.277 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC000965032795 1218835704 /nfs/dbraw/zinc/83/57/04/1218835704.db2.gz JUELJRMPDBOKQU-KXBFYZLASA-N 1 2 346.475 2.062 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C)ncn1 ZINC000965915503 1219353694 /nfs/dbraw/zinc/35/36/94/1219353694.db2.gz CGCXNVDBULWWRR-LIRRHRJNSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3C#N)CC[C@@H]2C)ncn1 ZINC000965915503 1219353699 /nfs/dbraw/zinc/35/36/99/1219353699.db2.gz CGCXNVDBULWWRR-LIRRHRJNSA-N 1 2 349.438 2.297 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@H]21 ZINC001114896206 1219417032 /nfs/dbraw/zinc/41/70/32/1219417032.db2.gz LAPYOWLXJFCNDI-RMRHIDDWSA-N 1 2 331.464 2.077 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@H]21 ZINC001114896206 1219417034 /nfs/dbraw/zinc/41/70/34/1219417034.db2.gz LAPYOWLXJFCNDI-RMRHIDDWSA-N 1 2 331.464 2.077 20 30 EEEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC001015969780 1225905081 /nfs/dbraw/zinc/90/50/81/1225905081.db2.gz XMMCAPCKPLTWNP-ZDUSSCGKSA-N 1 2 344.440 2.107 20 30 EEEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001015969780 1225905085 /nfs/dbraw/zinc/90/50/85/1225905085.db2.gz XMMCAPCKPLTWNP-ZDUSSCGKSA-N 1 2 344.440 2.107 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)nc1 ZINC001016023701 1225968601 /nfs/dbraw/zinc/96/86/01/1225968601.db2.gz KRJASKMIRDEOSZ-KRWDZBQOSA-N 1 2 348.381 2.078 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)nc1 ZINC001016023701 1225968606 /nfs/dbraw/zinc/96/86/06/1225968606.db2.gz KRJASKMIRDEOSZ-KRWDZBQOSA-N 1 2 348.381 2.078 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn(C(C)C)nn2)C1 ZINC000968483266 1221340916 /nfs/dbraw/zinc/34/09/16/1221340916.db2.gz FRGLSQILUZKDDP-YPMHNXCESA-N 1 2 325.844 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn(C(C)C)nn2)C1 ZINC000968483266 1221340919 /nfs/dbraw/zinc/34/09/19/1221340919.db2.gz FRGLSQILUZKDDP-YPMHNXCESA-N 1 2 325.844 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc3nnn(C)c32)C1 ZINC000968712586 1221509129 /nfs/dbraw/zinc/50/91/29/1221509129.db2.gz ACGBNTDQQJMMIU-IAQYHMDHSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc3nnn(C)c32)C1 ZINC000968712586 1221509132 /nfs/dbraw/zinc/50/91/32/1221509132.db2.gz ACGBNTDQQJMMIU-IAQYHMDHSA-N 1 2 347.850 2.161 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001006834719 1221968005 /nfs/dbraw/zinc/96/80/05/1221968005.db2.gz VDZCZDSUDNVNQG-GXTWGEPZSA-N 1 2 344.459 2.005 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CCCOC3)C2)c(F)c1 ZINC001006905378 1222004935 /nfs/dbraw/zinc/00/49/35/1222004935.db2.gz KZONUILBIDEPOA-IRXDYDNUSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3CCCOC3)C2)c(F)c1 ZINC001006905378 1222004939 /nfs/dbraw/zinc/00/49/39/1222004939.db2.gz KZONUILBIDEPOA-IRXDYDNUSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)CC2CCOCC2)C1 ZINC001006970295 1222042548 /nfs/dbraw/zinc/04/25/48/1222042548.db2.gz GIMZMZFRVSSVGN-IBGZPJMESA-N 1 2 341.455 2.456 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)CC2CCOCC2)C1 ZINC001006970295 1222042549 /nfs/dbraw/zinc/04/25/49/1222042549.db2.gz GIMZMZFRVSSVGN-IBGZPJMESA-N 1 2 341.455 2.456 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)C[C@@H]3CCOC3)C2)c1 ZINC001006979508 1222048132 /nfs/dbraw/zinc/04/81/32/1222048132.db2.gz DCOCNFXPDCMSFL-RDJZCZTQSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)C[C@@H]3CCOC3)C2)c1 ZINC001006979508 1222048135 /nfs/dbraw/zinc/04/81/35/1222048135.db2.gz DCOCNFXPDCMSFL-RDJZCZTQSA-N 1 2 345.418 2.205 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001007481871 1222251663 /nfs/dbraw/zinc/25/16/63/1222251663.db2.gz XJWGQZVHAQZRNH-CYBMUJFWSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001007481871 1222251665 /nfs/dbraw/zinc/25/16/65/1222251665.db2.gz XJWGQZVHAQZRNH-CYBMUJFWSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC3CCCC3)C2)CC1 ZINC001008410701 1222817081 /nfs/dbraw/zinc/81/70/81/1222817081.db2.gz KRPFZCUJXUCJHM-GOSISDBHSA-N 1 2 347.503 2.372 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC3CCCC3)C2)CC1 ZINC001008410701 1222817087 /nfs/dbraw/zinc/81/70/87/1222817087.db2.gz KRPFZCUJXUCJHM-GOSISDBHSA-N 1 2 347.503 2.372 20 30 EEEDLO CCn1ccc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)n1 ZINC001008756433 1223025149 /nfs/dbraw/zinc/02/51/49/1223025149.db2.gz VGLOKJGLXQEJGM-GOSISDBHSA-N 1 2 336.439 2.149 20 30 EEEDLO CCn1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)n1 ZINC001008756433 1223025153 /nfs/dbraw/zinc/02/51/53/1223025153.db2.gz VGLOKJGLXQEJGM-GOSISDBHSA-N 1 2 336.439 2.149 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001009007948 1223111436 /nfs/dbraw/zinc/11/14/36/1223111436.db2.gz DQYAKSRDHMQZJD-CYBMUJFWSA-N 1 2 347.850 2.223 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001009007948 1223111439 /nfs/dbraw/zinc/11/14/39/1223111439.db2.gz DQYAKSRDHMQZJD-CYBMUJFWSA-N 1 2 347.850 2.223 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3conc3CC)C2)nc1 ZINC001009244309 1223186572 /nfs/dbraw/zinc/18/65/72/1223186572.db2.gz CKARAXDFXGNLRE-INIZCTEOSA-N 1 2 338.411 2.008 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3conc3CC)C2)nc1 ZINC001009244309 1223186573 /nfs/dbraw/zinc/18/65/73/1223186573.db2.gz CKARAXDFXGNLRE-INIZCTEOSA-N 1 2 338.411 2.008 20 30 EEEDLO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001010227140 1223615281 /nfs/dbraw/zinc/61/52/81/1223615281.db2.gz ORICLIPJOTZGIG-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001010227140 1223615282 /nfs/dbraw/zinc/61/52/82/1223615282.db2.gz ORICLIPJOTZGIG-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO Cn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010239657 1223622523 /nfs/dbraw/zinc/62/25/23/1223622523.db2.gz CKNOSTXDMHJIJA-OAHLLOKOSA-N 1 2 326.375 2.040 20 30 EEEDLO Cn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010239657 1223622525 /nfs/dbraw/zinc/62/25/25/1223622525.db2.gz CKNOSTXDMHJIJA-OAHLLOKOSA-N 1 2 326.375 2.040 20 30 EEEDLO Cc1ncsc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010319472 1223659433 /nfs/dbraw/zinc/65/94/33/1223659433.db2.gz IVZLIBPKJRVYQQ-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1ncsc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010319472 1223659434 /nfs/dbraw/zinc/65/94/34/1223659434.db2.gz IVZLIBPKJRVYQQ-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)s1 ZINC001010355891 1223678519 /nfs/dbraw/zinc/67/85/19/1223678519.db2.gz WNOQZUPCSAUVLQ-MRXNPFEDSA-N 1 2 325.437 2.307 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)s1 ZINC001010355891 1223678520 /nfs/dbraw/zinc/67/85/20/1223678520.db2.gz WNOQZUPCSAUVLQ-MRXNPFEDSA-N 1 2 325.437 2.307 20 30 EEEDLO Cc1ccncc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010425629 1223715119 /nfs/dbraw/zinc/71/51/19/1223715119.db2.gz BGNJKUBFUZPSNV-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1ccncc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010425629 1223715121 /nfs/dbraw/zinc/71/51/21/1223715121.db2.gz BGNJKUBFUZPSNV-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1ccn(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010765639 1223896695 /nfs/dbraw/zinc/89/66/95/1223896695.db2.gz FILQCKMKSZKXMR-INIZCTEOSA-N 1 2 340.402 2.349 20 30 EEEDLO Cc1ccn(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010765639 1223896698 /nfs/dbraw/zinc/89/66/98/1223896698.db2.gz FILQCKMKSZKXMR-INIZCTEOSA-N 1 2 340.402 2.349 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCOCC2)C1 ZINC001010809299 1223917827 /nfs/dbraw/zinc/91/78/27/1223917827.db2.gz RPWUSEHCCDHLIX-QAPCUYQASA-N 1 2 327.428 2.065 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCOCC2)C1 ZINC001010809299 1223917829 /nfs/dbraw/zinc/91/78/29/1223917829.db2.gz RPWUSEHCCDHLIX-QAPCUYQASA-N 1 2 327.428 2.065 20 30 EEEDLO Cc1cnccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010867755 1223947977 /nfs/dbraw/zinc/94/79/77/1223947977.db2.gz CXWOOTAEAQEWRQ-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cnccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010867755 1223947978 /nfs/dbraw/zinc/94/79/78/1223947978.db2.gz CXWOOTAEAQEWRQ-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(NC(C)=O)c(F)c2)C1 ZINC001016420113 1226459344 /nfs/dbraw/zinc/45/93/44/1226459344.db2.gz KVOURLDQQWEORF-CYBMUJFWSA-N 1 2 339.798 2.341 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(NC(C)=O)c(F)c2)C1 ZINC001016420113 1226459350 /nfs/dbraw/zinc/45/93/50/1226459350.db2.gz KVOURLDQQWEORF-CYBMUJFWSA-N 1 2 339.798 2.341 20 30 EEEDLO Cc1nc([C@@H](C)[N@H+](C)C[C@H]2CCCN(C(=O)C#CC3CC3)C2)no1 ZINC001017128727 1227151818 /nfs/dbraw/zinc/15/18/18/1227151818.db2.gz UWNKZBGJBPFEGC-CZUORRHYSA-N 1 2 330.432 2.023 20 30 EEEDLO Cc1nc([C@@H](C)[N@@H+](C)C[C@H]2CCCN(C(=O)C#CC3CC3)C2)no1 ZINC001017128727 1227151820 /nfs/dbraw/zinc/15/18/20/1227151820.db2.gz UWNKZBGJBPFEGC-CZUORRHYSA-N 1 2 330.432 2.023 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N2CC=CC2)cc1 ZINC001017934000 1227888402 /nfs/dbraw/zinc/88/84/02/1227888402.db2.gz BFWWULXSYMISJK-BGYRXZFFSA-N 1 2 335.451 2.375 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N2CC=CC2)cc1 ZINC001017934000 1227888408 /nfs/dbraw/zinc/88/84/08/1227888408.db2.gz BFWWULXSYMISJK-BGYRXZFFSA-N 1 2 335.451 2.375 20 30 EEEDLO C=C(Br)C[NH2+][C@H]1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC001019411442 1229080210 /nfs/dbraw/zinc/08/02/10/1229080210.db2.gz KLHCBDAUFDUYMC-NSHDSACASA-N 1 2 341.253 2.246 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)cc1F ZINC001038178751 1229677933 /nfs/dbraw/zinc/67/79/33/1229677933.db2.gz CFDRGBDYYMMTJK-OAHLLOKOSA-N 1 2 342.374 2.038 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)cc1F ZINC001038178751 1229677935 /nfs/dbraw/zinc/67/79/35/1229677935.db2.gz CFDRGBDYYMMTJK-OAHLLOKOSA-N 1 2 342.374 2.038 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CCCOCC2)cc1F ZINC001038219018 1229692139 /nfs/dbraw/zinc/69/21/39/1229692139.db2.gz VDOAAYJXDWDCQP-WBVHZDCISA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CCCOCC2)cc1F ZINC001038219018 1229692140 /nfs/dbraw/zinc/69/21/40/1229692140.db2.gz VDOAAYJXDWDCQP-WBVHZDCISA-N 1 2 345.418 2.205 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]1Cc1cnc(C)s1 ZINC001038344153 1229758175 /nfs/dbraw/zinc/75/81/75/1229758175.db2.gz FAQHTAKMZHYYOS-CQSZACIVSA-N 1 2 330.457 2.443 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]1Cc1cnc(C)s1 ZINC001038344153 1229758178 /nfs/dbraw/zinc/75/81/78/1229758178.db2.gz FAQHTAKMZHYYOS-CQSZACIVSA-N 1 2 330.457 2.443 20 30 EEEDLO CC1(Nc2ccc(C#N)cn2)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001067258207 1229848326 /nfs/dbraw/zinc/84/83/26/1229848326.db2.gz JDDSMDUXFXIYBF-UHFFFAOYSA-N 1 2 338.415 2.102 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)c1cccc2n[nH]cc21 ZINC001038580329 1229926838 /nfs/dbraw/zinc/92/68/38/1229926838.db2.gz YDAYOAOGHYIEHA-KRWDZBQOSA-N 1 2 344.418 2.419 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)c1cccc2n[nH]cc21 ZINC001038580329 1229926842 /nfs/dbraw/zinc/92/68/42/1229926842.db2.gz YDAYOAOGHYIEHA-KRWDZBQOSA-N 1 2 344.418 2.419 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2[C@H](C)C(=O)N2CCCCC2)CC1 ZINC001038664952 1229961153 /nfs/dbraw/zinc/96/11/53/1229961153.db2.gz BKQCKZTZTCLROA-AEFFLSMTSA-N 1 2 347.503 2.324 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2[C@H](C)C(=O)N2CCCCC2)CC1 ZINC001038664952 1229961154 /nfs/dbraw/zinc/96/11/54/1229961154.db2.gz BKQCKZTZTCLROA-AEFFLSMTSA-N 1 2 347.503 2.324 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CC23CC3)cc1C#N ZINC001038746678 1230017988 /nfs/dbraw/zinc/01/79/88/1230017988.db2.gz SMVFGWZCPIWWPM-CVEARBPZSA-N 1 2 325.412 2.057 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CC23CC3)cc1C#N ZINC001038746678 1230017994 /nfs/dbraw/zinc/01/79/94/1230017994.db2.gz SMVFGWZCPIWWPM-CVEARBPZSA-N 1 2 325.412 2.057 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)c1c[nH]c2ncccc12 ZINC001039026899 1230246724 /nfs/dbraw/zinc/24/67/24/1230246724.db2.gz ZBJYZFVXJLRHNM-QGZVFWFLSA-N 1 2 344.418 2.419 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)c1c[nH]c2ncccc12 ZINC001039026899 1230246728 /nfs/dbraw/zinc/24/67/28/1230246728.db2.gz ZBJYZFVXJLRHNM-QGZVFWFLSA-N 1 2 344.418 2.419 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC(C)(Nc3cc[nH+]c(C)n3)CC2)c1 ZINC001067293760 1230528156 /nfs/dbraw/zinc/52/81/56/1230528156.db2.gz CXVOLYGNMXEPDV-UHFFFAOYSA-N 1 2 335.411 2.268 20 30 EEEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sc2nccn2c1C ZINC001039387464 1230572171 /nfs/dbraw/zinc/57/21/71/1230572171.db2.gz PANZPABJLKUXDK-KGLIPLIRSA-N 1 2 328.441 2.016 20 30 EEEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sc2nccn2c1C ZINC001039387464 1230572173 /nfs/dbraw/zinc/57/21/73/1230572173.db2.gz PANZPABJLKUXDK-KGLIPLIRSA-N 1 2 328.441 2.016 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnccc1OC ZINC001039392507 1230575938 /nfs/dbraw/zinc/57/59/38/1230575938.db2.gz SKZIVZUPISVUPL-CVEARBPZSA-N 1 2 349.862 2.451 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnccc1OC ZINC001039392507 1230575943 /nfs/dbraw/zinc/57/59/43/1230575943.db2.gz SKZIVZUPISVUPL-CVEARBPZSA-N 1 2 349.862 2.451 20 30 EEEDLO C=CCC1(C(=O)N(C)CCCN(C)C(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001067299188 1230654694 /nfs/dbraw/zinc/65/46/94/1230654694.db2.gz MIGQZMSAOCBFRU-UHFFFAOYSA-N 1 2 346.475 2.396 20 30 EEEDLO Cn1cncc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039731285 1230771220 /nfs/dbraw/zinc/77/12/20/1230771220.db2.gz IMUDGLBSABVZGJ-HDICACEKSA-N 1 2 349.438 2.171 20 30 EEEDLO Cn1cncc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039731285 1230771223 /nfs/dbraw/zinc/77/12/23/1230771223.db2.gz IMUDGLBSABVZGJ-HDICACEKSA-N 1 2 349.438 2.171 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H]1CCCN(C)C1=O ZINC001039822648 1230835540 /nfs/dbraw/zinc/83/55/40/1230835540.db2.gz HKYMUJJZWRVDOG-BBWFWOEESA-N 1 2 347.503 2.275 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H]1CCCN(C)C1=O ZINC001039822648 1230835545 /nfs/dbraw/zinc/83/55/45/1230835545.db2.gz HKYMUJJZWRVDOG-BBWFWOEESA-N 1 2 347.503 2.275 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H]1CCCN(C)C1=O ZINC001039895985 1230894655 /nfs/dbraw/zinc/89/46/55/1230894655.db2.gz BJMXYSMUCQTHPE-CLWJZODNSA-N 1 2 347.503 2.275 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H]1CCCN(C)C1=O ZINC001039895985 1230894659 /nfs/dbraw/zinc/89/46/59/1230894659.db2.gz BJMXYSMUCQTHPE-CLWJZODNSA-N 1 2 347.503 2.275 20 30 EEEDLO C=CCCn1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3C[C@H](F)CC)nn1 ZINC001039942032 1230919175 /nfs/dbraw/zinc/91/91/75/1230919175.db2.gz SXMTZLOGTDORPV-OAGGEKHMSA-N 1 2 349.454 2.281 20 30 EEEDLO C=CCCn1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C[C@H](F)CC)nn1 ZINC001039942032 1230919180 /nfs/dbraw/zinc/91/91/80/1230919180.db2.gz SXMTZLOGTDORPV-OAGGEKHMSA-N 1 2 349.454 2.281 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCCC[C@@H]2CN(C)c2cc[nH+]c(C)n2)nc1 ZINC001039965690 1230936738 /nfs/dbraw/zinc/93/67/38/1230936738.db2.gz LETIMDFQMWZIHA-QGZVFWFLSA-N 1 2 349.438 2.292 20 30 EEEDLO CCCc1nnc(C[N@@H+]2CC[C@@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)s1 ZINC001041147895 1231453067 /nfs/dbraw/zinc/45/30/67/1231453067.db2.gz VSUQRTCKTWIUNC-CXAGYDPISA-N 1 2 347.488 2.075 20 30 EEEDLO CCCc1nnc(C[N@H+]2CC[C@@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)s1 ZINC001041147895 1231453068 /nfs/dbraw/zinc/45/30/68/1231453068.db2.gz VSUQRTCKTWIUNC-CXAGYDPISA-N 1 2 347.488 2.075 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](Cc3nnc(C4CC4)[nH]3)C2)C1 ZINC001041542805 1231588786 /nfs/dbraw/zinc/58/87/86/1231588786.db2.gz FIKFAHOAQADFFR-LJQANCHMSA-N 1 2 343.475 2.319 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3nnc(C4CC4)[nH]3)C2)C1 ZINC001041542805 1231588787 /nfs/dbraw/zinc/58/87/87/1231588787.db2.gz FIKFAHOAQADFFR-LJQANCHMSA-N 1 2 343.475 2.319 20 30 EEEDLO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)C[C@@H]21 ZINC001042142762 1231915765 /nfs/dbraw/zinc/91/57/65/1231915765.db2.gz QHZQAJZMFRUEQH-APWZRJJASA-N 1 2 334.423 2.246 20 30 EEEDLO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)C[C@@H]21 ZINC001042142762 1231915768 /nfs/dbraw/zinc/91/57/68/1231915768.db2.gz QHZQAJZMFRUEQH-APWZRJJASA-N 1 2 334.423 2.246 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001042186173 1231944200 /nfs/dbraw/zinc/94/42/00/1231944200.db2.gz DPVTXBZGLBHCNM-HOTGVXAUSA-N 1 2 345.491 2.494 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001042186173 1231944202 /nfs/dbraw/zinc/94/42/02/1231944202.db2.gz DPVTXBZGLBHCNM-HOTGVXAUSA-N 1 2 345.491 2.494 20 30 EEEDLO C[C@@H]1CCCC[C@@H]1OCC[NH+]1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001042630752 1232125639 /nfs/dbraw/zinc/12/56/39/1232125639.db2.gz NIJUANXUDNYPOX-KDOFPFPSSA-N 1 2 344.459 2.238 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](Cc2ccc(OC)cc2)C1 ZINC001042742524 1232153842 /nfs/dbraw/zinc/15/38/42/1232153842.db2.gz UCVPLSUUUVZBAK-MOPGFXCFSA-N 1 2 344.455 2.319 20 30 EEEDLO C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CCN1c1cccc(F)c1C#N ZINC001067542842 1249196334 /nfs/dbraw/zinc/19/63/34/1249196334.db2.gz OGSJLNAZGYDIGN-UONOGXRCSA-N 1 2 341.390 2.068 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCCCN(CC)c1[nH+]cnc2c1cnn2C ZINC001095946344 1232470143 /nfs/dbraw/zinc/47/01/43/1232470143.db2.gz BBVOKJQHLIUNET-CQSZACIVSA-N 1 2 344.463 2.298 20 30 EEEDLO C=CCCn1cc(C(=O)N(C)C2C[NH+](Cc3ccc(C)cc3)C2)nn1 ZINC001044028333 1232678906 /nfs/dbraw/zinc/67/89/06/1232678906.db2.gz OYPJVURLSWCBOH-UHFFFAOYSA-N 1 2 339.443 2.119 20 30 EEEDLO C#Cc1ccc(C(=O)NC2(C)CC[NH+](Cc3cscn3)CC2)cn1 ZINC001045623005 1233865283 /nfs/dbraw/zinc/86/52/83/1233865283.db2.gz AMPOLZKKXUOQNM-UHFFFAOYSA-N 1 2 340.452 2.304 20 30 EEEDLO C#Cc1ccc(C(=O)NC2(C)CC[NH+]([C@H](C)c3ncccn3)CC2)nc1 ZINC001045625576 1233867141 /nfs/dbraw/zinc/86/71/41/1233867141.db2.gz UDEJWUAJOMJQLD-OAHLLOKOSA-N 1 2 349.438 2.198 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)c2nncn2C)C1 ZINC001045843504 1234059677 /nfs/dbraw/zinc/05/96/77/1234059677.db2.gz GKJGIIJSQSITNX-OAGGEKHMSA-N 1 2 343.475 2.298 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)c2nncn2C)C1 ZINC001045843504 1234059681 /nfs/dbraw/zinc/05/96/81/1234059681.db2.gz GKJGIIJSQSITNX-OAGGEKHMSA-N 1 2 343.475 2.298 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000800362499 1234074520 /nfs/dbraw/zinc/07/45/20/1234074520.db2.gz PVRSWHCFYSABPW-MELADBBJSA-N 1 2 326.437 2.339 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000800362499 1234074521 /nfs/dbraw/zinc/07/45/21/1234074521.db2.gz PVRSWHCFYSABPW-MELADBBJSA-N 1 2 326.437 2.339 20 30 EEEDLO Cc1cc(Cl)cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c1 ZINC001046044378 1234368114 /nfs/dbraw/zinc/36/81/14/1234368114.db2.gz VKRHFNNVUAVVML-QGZVFWFLSA-N 1 2 346.862 2.004 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001046248378 1234592883 /nfs/dbraw/zinc/59/28/83/1234592883.db2.gz OONRXFMICQJKAD-YVEFUNNKSA-N 1 2 327.388 2.138 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001046248378 1234592886 /nfs/dbraw/zinc/59/28/86/1234592886.db2.gz OONRXFMICQJKAD-YVEFUNNKSA-N 1 2 327.388 2.138 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)c2ccncc2C)C1 ZINC001046295272 1234639217 /nfs/dbraw/zinc/63/92/17/1234639217.db2.gz MXYISFYQVGSKRG-OAHLLOKOSA-N 1 2 338.249 2.493 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccncc2C)C1 ZINC001046295272 1234639220 /nfs/dbraw/zinc/63/92/20/1234639220.db2.gz MXYISFYQVGSKRG-OAHLLOKOSA-N 1 2 338.249 2.493 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001046778784 1235177249 /nfs/dbraw/zinc/17/72/49/1235177249.db2.gz IZJMGRGGCGXATD-SFHVURJKSA-N 1 2 349.862 2.335 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001046778784 1235177253 /nfs/dbraw/zinc/17/72/53/1235177253.db2.gz IZJMGRGGCGXATD-SFHVURJKSA-N 1 2 349.862 2.335 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccn(C)c2)C1 ZINC001046930427 1235316662 /nfs/dbraw/zinc/31/66/62/1235316662.db2.gz AHXBQRITXCIRCO-ZDUSSCGKSA-N 1 2 331.794 2.465 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccn(C)c2)C1 ZINC001046930427 1235316665 /nfs/dbraw/zinc/31/66/65/1235316665.db2.gz AHXBQRITXCIRCO-ZDUSSCGKSA-N 1 2 331.794 2.465 20 30 EEEDLO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001046949707 1235345187 /nfs/dbraw/zinc/34/51/87/1235345187.db2.gz ARSVMBHEKUVTAV-LBPRGKRZSA-N 1 2 338.402 2.162 20 30 EEEDLO C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001046949707 1235345190 /nfs/dbraw/zinc/34/51/90/1235345190.db2.gz ARSVMBHEKUVTAV-LBPRGKRZSA-N 1 2 338.402 2.162 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001046991487 1235402622 /nfs/dbraw/zinc/40/26/22/1235402622.db2.gz HUXPFGHPKAFONB-LBPRGKRZSA-N 1 2 345.777 2.227 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001046991487 1235402625 /nfs/dbraw/zinc/40/26/25/1235402625.db2.gz HUXPFGHPKAFONB-LBPRGKRZSA-N 1 2 345.777 2.227 20 30 EEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](C2CCN(CC#N)CC2)C1 ZINC001047258192 1235764402 /nfs/dbraw/zinc/76/44/02/1235764402.db2.gz WVQGIDBPXXXWOQ-RDJZCZTQSA-N 1 2 343.475 2.062 20 30 EEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](C2CCN(CC#N)CC2)C1 ZINC001047258192 1235764414 /nfs/dbraw/zinc/76/44/14/1235764414.db2.gz WVQGIDBPXXXWOQ-RDJZCZTQSA-N 1 2 343.475 2.062 20 30 EEEDLO CCn1c[nH+]cc1/C=C\C(=O)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000901467640 1235842292 /nfs/dbraw/zinc/84/22/92/1235842292.db2.gz VKQSOTLZZBXLJU-SREVYHEPSA-N 1 2 334.397 2.211 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096184885 1236020409 /nfs/dbraw/zinc/02/04/09/1236020409.db2.gz CCWGOUIOWMGMKE-HOCLYGCPSA-N 1 2 344.459 2.339 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096346228 1237504265 /nfs/dbraw/zinc/50/42/65/1237504265.db2.gz QFVPGCHNIIVGOZ-INIZCTEOSA-N 1 2 344.459 2.340 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)c3cnc(CC(C)C)[nH]3)C[C@H]2C1 ZINC001048818540 1238731886 /nfs/dbraw/zinc/73/18/86/1238731886.db2.gz OHYOAAWBXQXLBM-OKILXGFUSA-N 1 2 336.867 2.365 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)c3cnc(CC(C)C)[nH]3)C[C@H]2C1 ZINC001048818540 1238731897 /nfs/dbraw/zinc/73/18/97/1238731897.db2.gz OHYOAAWBXQXLBM-OKILXGFUSA-N 1 2 336.867 2.365 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001056299538 1239156103 /nfs/dbraw/zinc/15/61/03/1239156103.db2.gz ZCDGRTOXZDKBOW-SRABZTEZSA-N 1 2 342.443 2.071 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001056299538 1239156110 /nfs/dbraw/zinc/15/61/10/1239156110.db2.gz ZCDGRTOXZDKBOW-SRABZTEZSA-N 1 2 342.443 2.071 20 30 EEEDLO CCS(=O)(=O)NC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000903006069 1239317404 /nfs/dbraw/zinc/31/74/04/1239317404.db2.gz INGMDTZNWIAHTM-UHFFFAOYSA-N 1 2 340.876 2.095 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C(C)(C)C)no3)C[C@@H]2C1 ZINC001048980209 1239647023 /nfs/dbraw/zinc/64/70/23/1239647023.db2.gz LRVCLNLPHWHIDM-OKILXGFUSA-N 1 2 346.475 2.470 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C(C)(C)C)no3)C[C@@H]2C1 ZINC001048980209 1239647029 /nfs/dbraw/zinc/64/70/29/1239647029.db2.gz LRVCLNLPHWHIDM-OKILXGFUSA-N 1 2 346.475 2.470 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001056703410 1239685386 /nfs/dbraw/zinc/68/53/86/1239685386.db2.gz APXXQDHYOXVEQE-OWCLPIDISA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)c2ncoc2C)CC1 ZINC001000487593 1240398484 /nfs/dbraw/zinc/39/84/84/1240398484.db2.gz AQIADRYYFKJXFA-UHFFFAOYSA-N 1 2 340.221 2.254 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)c2ncoc2C)CC1 ZINC001000487593 1240398488 /nfs/dbraw/zinc/39/84/88/1240398488.db2.gz AQIADRYYFKJXFA-UHFFFAOYSA-N 1 2 340.221 2.254 20 30 EEEDLO Cc1nc(C[N@H+]2CC=C(CNC(=O)c3cc(C#N)c[nH]3)CC2)cs1 ZINC001000560270 1240516720 /nfs/dbraw/zinc/51/67/20/1240516720.db2.gz OQCXYVAHASFGNF-UHFFFAOYSA-N 1 2 341.440 2.213 20 30 EEEDLO Cc1nc(C[N@@H+]2CC=C(CNC(=O)c3cc(C#N)c[nH]3)CC2)cs1 ZINC001000560270 1240516725 /nfs/dbraw/zinc/51/67/25/1240516725.db2.gz OQCXYVAHASFGNF-UHFFFAOYSA-N 1 2 341.440 2.213 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)OC ZINC001049371226 1240705118 /nfs/dbraw/zinc/70/51/18/1240705118.db2.gz BIMMVXJLTKQAIA-MGPQQGTHSA-N 1 2 345.281 2.385 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)OC ZINC001049371226 1240705124 /nfs/dbraw/zinc/70/51/24/1240705124.db2.gz BIMMVXJLTKQAIA-MGPQQGTHSA-N 1 2 345.281 2.385 20 30 EEEDLO Cc1ncc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC#Cc2ccccc2)[nH]1 ZINC001049376716 1240723445 /nfs/dbraw/zinc/72/34/45/1240723445.db2.gz MBMAVTZTDQMETL-PMACEKPBSA-N 1 2 348.450 2.449 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)co1 ZINC001049432506 1240898060 /nfs/dbraw/zinc/89/80/60/1240898060.db2.gz VEIGGOMQTCYZIU-DLBZAZTESA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)co1 ZINC001049432506 1240898064 /nfs/dbraw/zinc/89/80/64/1240898064.db2.gz VEIGGOMQTCYZIU-DLBZAZTESA-N 1 2 339.399 2.062 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cc(CC)[nH]c(=O)c2)CC1 ZINC001000957779 1241308507 /nfs/dbraw/zinc/30/85/07/1241308507.db2.gz LSJBPJQBTWKSIV-UHFFFAOYSA-N 1 2 335.835 2.464 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cc(CC)[nH]c(=O)c2)CC1 ZINC001000957779 1241308518 /nfs/dbraw/zinc/30/85/18/1241308518.db2.gz LSJBPJQBTWKSIV-UHFFFAOYSA-N 1 2 335.835 2.464 20 30 EEEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sc(Cl)nc1Cl)C2 ZINC001096555373 1241321178 /nfs/dbraw/zinc/32/11/78/1241321178.db2.gz ISZIRFKSRXFTOA-VGMNWLOBSA-N 1 2 330.240 2.418 20 30 EEEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sc(Cl)nc1Cl)C2 ZINC001096555373 1241321187 /nfs/dbraw/zinc/32/11/87/1241321187.db2.gz ISZIRFKSRXFTOA-VGMNWLOBSA-N 1 2 330.240 2.418 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCCc3nn(C)cc32)CC1 ZINC001001088322 1241612464 /nfs/dbraw/zinc/61/24/64/1241612464.db2.gz UVANQUPWMFGVII-OAHLLOKOSA-N 1 2 348.878 2.341 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCc3nn(C)cc32)CC1 ZINC001001088322 1241612474 /nfs/dbraw/zinc/61/24/74/1241612474.db2.gz UVANQUPWMFGVII-OAHLLOKOSA-N 1 2 348.878 2.341 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001067918100 1249971021 /nfs/dbraw/zinc/97/10/21/1249971021.db2.gz XPKMUAAFJWRPSY-MRXNPFEDSA-N 1 2 348.491 2.262 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001073439926 1242479704 /nfs/dbraw/zinc/47/97/04/1242479704.db2.gz AOWNGFUAZBRNNX-MRXNPFEDSA-N 1 2 346.475 2.373 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c(C)nn(C)c1F ZINC001049871728 1242485555 /nfs/dbraw/zinc/48/55/55/1242485555.db2.gz SFJUAWZUBDTZRE-OLZOCXBDSA-N 1 2 340.830 2.299 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c(C)nn(C)c1F ZINC001049871728 1242485564 /nfs/dbraw/zinc/48/55/64/1242485564.db2.gz SFJUAWZUBDTZRE-OLZOCXBDSA-N 1 2 340.830 2.299 20 30 EEEDLO N#Cc1cc(C(=O)N2CCC[C@H]3C[N@H+](Cc4cscn4)C[C@H]32)c[nH]1 ZINC001050025606 1242644034 /nfs/dbraw/zinc/64/40/34/1242644034.db2.gz AXVLSRZSFVNSBE-BLLLJJGKSA-N 1 2 341.440 2.079 20 30 EEEDLO N#Cc1cc(C(=O)N2CCC[C@H]3C[N@@H+](Cc4cscn4)C[C@H]32)c[nH]1 ZINC001050025606 1242644047 /nfs/dbraw/zinc/64/40/47/1242644047.db2.gz AXVLSRZSFVNSBE-BLLLJJGKSA-N 1 2 341.440 2.079 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(OC)cs2)C1 ZINC001073724445 1242691456 /nfs/dbraw/zinc/69/14/56/1242691456.db2.gz WCAXOQKDEGGTDL-ZDUSSCGKSA-N 1 2 344.864 2.330 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cc(OC)cs2)C1 ZINC001073724445 1242691468 /nfs/dbraw/zinc/69/14/68/1242691468.db2.gz WCAXOQKDEGGTDL-ZDUSSCGKSA-N 1 2 344.864 2.330 20 30 EEEDLO Cc1cnc(C[N@H+](C)C[C@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)o1 ZINC001073995455 1242886000 /nfs/dbraw/zinc/88/60/00/1242886000.db2.gz SIANZQLDLYCWSI-OAHLLOKOSA-N 1 2 341.415 2.310 20 30 EEEDLO Cc1cnc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)o1 ZINC001073995455 1242886015 /nfs/dbraw/zinc/88/60/15/1242886015.db2.gz SIANZQLDLYCWSI-OAHLLOKOSA-N 1 2 341.415 2.310 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](Cc4nccn4C)C[C@H]32)cc1 ZINC001050107819 1242893556 /nfs/dbraw/zinc/89/35/56/1242893556.db2.gz ALGKHLILPZNOBY-RBUKOAKNSA-N 1 2 348.450 2.138 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](Cc4nccn4C)C[C@H]32)cc1 ZINC001050107819 1242893566 /nfs/dbraw/zinc/89/35/66/1242893566.db2.gz ALGKHLILPZNOBY-RBUKOAKNSA-N 1 2 348.450 2.138 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCCO2)C3)c1 ZINC001096769689 1243300797 /nfs/dbraw/zinc/30/07/97/1243300797.db2.gz BXBFXFMLWQEWHZ-BGTYHANMSA-N 1 2 343.402 2.098 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCCO2)C3)c1 ZINC001096769689 1243300807 /nfs/dbraw/zinc/30/08/07/1243300807.db2.gz BXBFXFMLWQEWHZ-BGTYHANMSA-N 1 2 343.402 2.098 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC001057350464 1243403976 /nfs/dbraw/zinc/40/39/76/1243403976.db2.gz RKMVWGHIBREASW-UHFFFAOYSA-N 1 2 334.423 2.412 20 30 EEEDLO Cc1csc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(C#N)[nH]2)C3)n1 ZINC001096971841 1243508516 /nfs/dbraw/zinc/50/85/16/1243508516.db2.gz XUMBVJXSHSDQFE-YUELXQCFSA-N 1 2 341.440 2.187 20 30 EEEDLO Cc1csc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(C#N)[nH]2)C3)n1 ZINC001096971841 1243508525 /nfs/dbraw/zinc/50/85/25/1243508525.db2.gz XUMBVJXSHSDQFE-YUELXQCFSA-N 1 2 341.440 2.187 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC1(F)F)C2 ZINC001097043400 1243614496 /nfs/dbraw/zinc/61/44/96/1243614496.db2.gz SUHPPKRPBBBKDP-QXSJWSMHSA-N 1 2 331.366 2.435 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC1(F)F)C2 ZINC001097043400 1243614505 /nfs/dbraw/zinc/61/45/05/1243614505.db2.gz SUHPPKRPBBBKDP-QXSJWSMHSA-N 1 2 331.366 2.435 20 30 EEEDLO Cc1cc(N[C@H]2C[C@@H](NC(=O)CSCC#N)C2)nc(C(C)C)[nH+]1 ZINC001097151765 1243764367 /nfs/dbraw/zinc/76/43/67/1243764367.db2.gz IUFODKWNTSFLEP-BETUJISGSA-N 1 2 333.461 2.224 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C3CC3)nn1C)C2 ZINC001097159045 1243772107 /nfs/dbraw/zinc/77/21/07/1243772107.db2.gz GDQFGPYJQUESQH-YUELXQCFSA-N 1 2 334.851 2.385 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C3CC3)nn1C)C2 ZINC001097159045 1243772113 /nfs/dbraw/zinc/77/21/13/1243772113.db2.gz GDQFGPYJQUESQH-YUELXQCFSA-N 1 2 334.851 2.385 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097194087 1243808278 /nfs/dbraw/zinc/80/82/78/1243808278.db2.gz XTKAFOFSXJEGQZ-GASCZTMLSA-N 1 2 330.432 2.314 20 30 EEEDLO C=CCOCCCC(=O)NC[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097289364 1243953110 /nfs/dbraw/zinc/95/31/10/1243953110.db2.gz KYHMWVHHBWZPDF-INIZCTEOSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097419085 1244141481 /nfs/dbraw/zinc/14/14/81/1244141481.db2.gz DFNWNPXWSBXWDH-LPHOPBHVSA-N 1 2 346.475 2.204 20 30 EEEDLO Cc1nc(N2CCCC[C@H]2CNC(=O)C#CC2CC2)c(C)c(C)[nH+]1 ZINC001097423627 1244149167 /nfs/dbraw/zinc/14/91/67/1244149167.db2.gz ODUPTOWXIYWFIS-KRWDZBQOSA-N 1 2 326.444 2.290 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)n1 ZINC001057630793 1244488942 /nfs/dbraw/zinc/48/89/42/1244488942.db2.gz FADLZPQOOAQSQL-OAHLLOKOSA-N 1 2 338.415 2.021 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CCC2=CCCCC2)[nH]1 ZINC001050872709 1244528297 /nfs/dbraw/zinc/52/82/97/1244528297.db2.gz RQUWPKIFFRQFFZ-KRWDZBQOSA-N 1 2 342.443 2.207 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CCC2=CCCCC2)[nH]1 ZINC001050872709 1244528304 /nfs/dbraw/zinc/52/83/04/1244528304.db2.gz RQUWPKIFFRQFFZ-KRWDZBQOSA-N 1 2 342.443 2.207 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C(C)(C)C)cn1 ZINC001050920052 1244629181 /nfs/dbraw/zinc/62/91/81/1244629181.db2.gz BWIKHPTYAMSRRB-INIZCTEOSA-N 1 2 331.460 2.386 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C(C)(C)C)cn1 ZINC001050920052 1244629189 /nfs/dbraw/zinc/62/91/89/1244629189.db2.gz BWIKHPTYAMSRRB-INIZCTEOSA-N 1 2 331.460 2.386 20 30 EEEDLO Cc1nsc(N[C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)c1C#N ZINC001057675062 1244652326 /nfs/dbraw/zinc/65/23/26/1244652326.db2.gz XUCNWGVQJMIWEH-LBPRGKRZSA-N 1 2 344.444 2.000 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2cc(OC)ccc21 ZINC001050946997 1244690436 /nfs/dbraw/zinc/69/04/36/1244690436.db2.gz NABPOASMDKQLJE-VQIMIIECSA-N 1 2 344.455 2.118 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2cc(OC)ccc21 ZINC001050946997 1244690453 /nfs/dbraw/zinc/69/04/53/1244690453.db2.gz NABPOASMDKQLJE-VQIMIIECSA-N 1 2 344.455 2.118 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC001050956659 1244722491 /nfs/dbraw/zinc/72/24/91/1244722491.db2.gz WSVVHNXZAMYBKA-FUHWJXTLSA-N 1 2 344.455 2.118 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC001050956659 1244722495 /nfs/dbraw/zinc/72/24/95/1244722495.db2.gz WSVVHNXZAMYBKA-FUHWJXTLSA-N 1 2 344.455 2.118 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3[nH]ncc3F)CC2)s1 ZINC001052688160 1244754420 /nfs/dbraw/zinc/75/44/20/1244754420.db2.gz NAOZZDBAQIYZPM-LLVKDONJSA-N 1 2 347.419 2.266 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3[nH]ncc3F)CC2)s1 ZINC001052688160 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EEEDLO N#Cc1cc(CN2CCc3onc(Cn4cc[nH+]c4)c3C2)ccc1F ZINC001205466899 1323150173 /nfs/dbraw/zinc/15/01/73/1323150173.db2.gz AMDDUPHKRMQJIS-UHFFFAOYSA-N 1 2 337.358 2.488 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)c(F)c2)C[C@H]1C ZINC001206509650 1323516446 /nfs/dbraw/zinc/51/64/46/1323516446.db2.gz QUPUCMDWQRIWKK-RHSMWYFYSA-N 1 2 347.434 2.475 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)c(F)c2)C[C@H]1C ZINC001206509650 1323516451 /nfs/dbraw/zinc/51/64/51/1323516451.db2.gz QUPUCMDWQRIWKK-RHSMWYFYSA-N 1 2 347.434 2.475 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C(F)C(F)(F)F ZINC001207023787 1323797402 /nfs/dbraw/zinc/79/74/02/1323797402.db2.gz YRFIHAAJDAGCFV-LERXQTSPSA-N 1 2 343.324 2.395 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C(F)C(F)(F)F ZINC001207023787 1323797407 /nfs/dbraw/zinc/79/74/07/1323797407.db2.gz YRFIHAAJDAGCFV-LERXQTSPSA-N 1 2 343.324 2.395 20 30 EEEDLO CC(C)COC[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)Cc2ncn(C)c21 ZINC001207104079 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ZINC001208261829 1324384761 /nfs/dbraw/zinc/38/47/61/1324384761.db2.gz SNVGUSNBIYRUTH-ZDUSSCGKSA-N 1 2 338.477 2.374 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cncc(OC)n2)C[C@H]1C ZINC001208393751 1324472850 /nfs/dbraw/zinc/47/28/50/1324472850.db2.gz YAQDLNCQRJIIMA-IIAWOOMASA-N 1 2 332.448 2.024 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cncc(OC)n2)C[C@H]1C ZINC001208393751 1324472854 /nfs/dbraw/zinc/47/28/54/1324472854.db2.gz YAQDLNCQRJIIMA-IIAWOOMASA-N 1 2 332.448 2.024 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)c(OC)co2)C[C@H]1C ZINC001208395682 1324473585 /nfs/dbraw/zinc/47/35/85/1324473585.db2.gz BIVRQZFFJCNOGD-IIAWOOMASA-N 1 2 348.443 2.187 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)c(OC)co2)C[C@H]1C ZINC001208395682 1324473589 /nfs/dbraw/zinc/47/35/89/1324473589.db2.gz BIVRQZFFJCNOGD-IIAWOOMASA-N 1 2 348.443 2.187 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(c2ccccc2C)CC1 ZINC001316611463 1325174139 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330.392 2.056 20 30 EEEDLO COc1ccc(C[NH2+]Cc2nnc(C)n2C)cc1OCCCC#N ZINC001322610572 1333293401 /nfs/dbraw/zinc/29/34/01/1333293401.db2.gz HUKYORCBJBPJNB-UHFFFAOYSA-N 1 2 329.404 2.105 20 30 EEEDLO C=CC[C@@H]([NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)C(=O)OCC ZINC001327869474 1334357928 /nfs/dbraw/zinc/35/79/28/1334357928.db2.gz WOULUBKHFZHUCG-GXTWGEPZSA-N 1 2 326.437 2.339 20 30 EEEDLO COc1c(C)c[nH+]c(CN(C)c2c(C#N)cccc2-c2nn[nH]n2)c1C ZINC001609333144 1351935950 /nfs/dbraw/zinc/93/59/50/1351935950.db2.gz OLZKCZVNUJYTDL-UHFFFAOYSA-N 1 2 349.398 2.395 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001340194392 1337135652 /nfs/dbraw/zinc/13/56/52/1337135652.db2.gz AUXFYAZZEHMYEH-NXOAAHMSSA-N 1 2 343.475 2.236 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001340194392 1337135655 /nfs/dbraw/zinc/13/56/55/1337135655.db2.gz AUXFYAZZEHMYEH-NXOAAHMSSA-N 1 2 343.475 2.236 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCS[C@@H](C(C)C)C1 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HONXWRFUGICNDE-ZWKOTPCHSA-N 1 2 348.874 2.289 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2cc3sccc3s2)C1 ZINC001566666497 1342596168 /nfs/dbraw/zinc/59/61/68/1342596168.db2.gz HOCXARWTYQHKQU-LBPRGKRZSA-N 1 2 334.466 2.417 20 30 EEEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2cc3sccc3s2)C1 ZINC001566666497 1342596171 /nfs/dbraw/zinc/59/61/71/1342596171.db2.gz HOCXARWTYQHKQU-LBPRGKRZSA-N 1 2 334.466 2.417 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1Cc2cccc(-c3nn[nH]n3)c2C1 ZINC001579969188 1344441521 /nfs/dbraw/zinc/44/15/21/1344441521.db2.gz GLLLVBPJLBFBMO-UHFFFAOYSA-N 1 2 332.367 2.263 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1Cc2cccc(-c3nn[nH]n3)c2C1 ZINC001579969188 1344441527 /nfs/dbraw/zinc/44/15/27/1344441527.db2.gz GLLLVBPJLBFBMO-UHFFFAOYSA-N 1 2 332.367 2.263 20 30 EEEDLO C[C@@H](CC#N)N(C)c1nnc(C[NH+]2CCCCC2)n1C[C@H]1CCOC1 ZINC001646889571 1353027890 /nfs/dbraw/zinc/02/78/90/1353027890.db2.gz YTTWMZOEBBVOAQ-JKSUJKDBSA-N 1 2 346.479 2.039 20 30 EEEDLO C[N@H+](Cc1nc2ccccc2o1)Cc1cc(=O)n2ncc(C#N)c2[nH]1 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/nfs/dbraw/zinc/79/13/46/784791346.db2.gz AAJNIXGAHIYQHV-CYBMUJFWSA-N 1 2 338.810 2.241 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3nc(C)ccc3o2)C1 ZINC001035589639 784800212 /nfs/dbraw/zinc/80/02/12/784800212.db2.gz RUHTXYYZKLXTSN-AWEZNQCLSA-N 1 2 329.400 2.143 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc3nc(C)ccc3o2)C1 ZINC001035589639 784800221 /nfs/dbraw/zinc/80/02/21/784800221.db2.gz RUHTXYYZKLXTSN-AWEZNQCLSA-N 1 2 329.400 2.143 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)c1ccnn1C)CC2 ZINC001035708652 784991449 /nfs/dbraw/zinc/99/14/49/784991449.db2.gz GSEWMFWOIYHCCB-AWEZNQCLSA-N 1 2 336.867 2.201 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1ccnn1C)CC2 ZINC001035756132 785065171 /nfs/dbraw/zinc/06/51/71/785065171.db2.gz SGLSKSLZHHNEBO-HUUCEWRRSA-N 1 2 348.878 2.201 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC2(C[NH+](Cc3snnc3C)C2)CC1 ZINC001035765495 785084268 /nfs/dbraw/zinc/08/42/68/785084268.db2.gz ATEIFJMFEGTPIC-UHFFFAOYSA-N 1 2 334.489 2.483 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000946328044 791081661 /nfs/dbraw/zinc/08/16/61/791081661.db2.gz CEVFIFZBKKXDIU-WBVHZDCISA-N 1 2 344.459 2.100 20 30 EEEDLO CN(C)c1nc(C=[NH+]N2CCOCC2)c(Cl)n1-c1ccccc1 ZINC000818208504 785220174 /nfs/dbraw/zinc/22/01/74/785220174.db2.gz JTKZZRKGWFJQEW-UHFFFAOYSA-N 1 2 333.823 2.258 20 30 EEEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC000908669522 785622050 /nfs/dbraw/zinc/62/20/50/785622050.db2.gz RKEOZVUIEQRHIF-JKSUJKDBSA-N 1 2 330.432 2.316 20 30 EEEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC000908669522 785622057 /nfs/dbraw/zinc/62/20/57/785622057.db2.gz RKEOZVUIEQRHIF-JKSUJKDBSA-N 1 2 330.432 2.316 20 30 EEEDLO CC(C)(C)c1noc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)n1 ZINC000995797514 785687070 /nfs/dbraw/zinc/68/70/70/785687070.db2.gz KWICFTYWOVXHIN-CQSZACIVSA-N 1 2 344.459 2.107 20 30 EEEDLO CCc1nnc(C[NH+]2CCC3(CCN(C(=O)[C@@H](C)C#N)C3)CC2)s1 ZINC001040644083 785767531 /nfs/dbraw/zinc/76/75/31/785767531.db2.gz LUVLFUDBENHUNR-ZDUSSCGKSA-N 1 2 347.488 2.075 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)c(Cl)c2)[C@@H](O)C1 ZINC001090532089 785834971 /nfs/dbraw/zinc/83/49/71/785834971.db2.gz QZOVHZGPHWBTJV-KGLIPLIRSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)c(Cl)c2)[C@@H](O)C1 ZINC001090532089 785834982 /nfs/dbraw/zinc/83/49/82/785834982.db2.gz QZOVHZGPHWBTJV-KGLIPLIRSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001078995592 785930822 /nfs/dbraw/zinc/93/08/22/785930822.db2.gz UWNKXXISWXXPMB-INIZCTEOSA-N 1 2 332.448 2.079 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2nnc(C3CC3)o2)C(C)(C)C1 ZINC000996136712 786055744 /nfs/dbraw/zinc/05/57/44/786055744.db2.gz JWJCYRPWFFPATN-ZDUSSCGKSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCc1cn(C2C[NH+](CC=C(C)C)C2)nn1 ZINC001107198528 786363551 /nfs/dbraw/zinc/36/35/51/786363551.db2.gz JWZBEXWQYIMDGT-HNNXBMFYSA-N 1 2 331.464 2.320 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CC3CCCCCC3)nn2)C1 ZINC001107215056 786453653 /nfs/dbraw/zinc/45/36/53/786453653.db2.gz ARTQBSJIELSNIT-UHFFFAOYSA-N 1 2 331.464 2.298 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c(F)ccc(C)c2F)[C@@H](O)C1 ZINC001090548955 786834919 /nfs/dbraw/zinc/83/49/19/786834919.db2.gz FOBKNWAUHREHDT-OLZOCXBDSA-N 1 2 344.789 2.191 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c(F)ccc(C)c2F)[C@@H](O)C1 ZINC001090548955 786834926 /nfs/dbraw/zinc/83/49/26/786834926.db2.gz FOBKNWAUHREHDT-OLZOCXBDSA-N 1 2 344.789 2.191 20 30 EEEDLO Cc1cc(C#N)cnc1C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910776383 787036945 /nfs/dbraw/zinc/03/69/45/787036945.db2.gz GIFZUMLHXPPMNM-UHFFFAOYSA-N 1 2 332.407 2.362 20 30 EEEDLO Cc1cc(C#N)cnc1C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910776383 787036953 /nfs/dbraw/zinc/03/69/53/787036953.db2.gz GIFZUMLHXPPMNM-UHFFFAOYSA-N 1 2 332.407 2.362 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001111539491 787617944 /nfs/dbraw/zinc/61/79/44/787617944.db2.gz JLDMRCHCWVFEJI-UKRRQHHQSA-N 1 2 346.475 2.353 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001062293089 787803274 /nfs/dbraw/zinc/80/32/74/787803274.db2.gz SSAYDDZLDIWFSS-OAHLLOKOSA-N 1 2 346.475 2.360 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001062300659 787834029 /nfs/dbraw/zinc/83/40/29/787834029.db2.gz QPWIAEPBGCPDDQ-OAHLLOKOSA-N 1 2 346.475 2.062 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3nc(C)ccc3o2)[C@@H](O)C1 ZINC001090737500 787971154 /nfs/dbraw/zinc/97/11/54/787971154.db2.gz PTCPCOYFTRHLLA-JSGCOSHPSA-N 1 2 349.818 2.054 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3nc(C)ccc3o2)[C@@H](O)C1 ZINC001090737500 787971158 /nfs/dbraw/zinc/97/11/58/787971158.db2.gz PTCPCOYFTRHLLA-JSGCOSHPSA-N 1 2 349.818 2.054 20 30 EEEDLO C#CCOc1ccccc1C[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000824977704 788386008 /nfs/dbraw/zinc/38/60/08/788386008.db2.gz OOMHGPYEBNCXAK-GOSISDBHSA-N 1 2 333.453 2.099 20 30 EEEDLO C#CCOc1ccccc1C[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000824977704 788386014 /nfs/dbraw/zinc/38/60/14/788386014.db2.gz OOMHGPYEBNCXAK-GOSISDBHSA-N 1 2 333.453 2.099 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060783416 788452335 /nfs/dbraw/zinc/45/23/35/788452335.db2.gz GBHKYHLLQUJCRY-VGWMRTNUSA-N 1 2 346.475 2.202 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001060783578 788458837 /nfs/dbraw/zinc/45/88/37/788458837.db2.gz KDLASBKPHKZMNE-QAETUUGQSA-N 1 2 346.475 2.133 20 30 EEEDLO C=CCCC(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(OC)c2)CCO1 ZINC001107802412 788503420 /nfs/dbraw/zinc/50/34/20/788503420.db2.gz RAZKFCCVCVRIJM-IBGZPJMESA-N 1 2 332.444 2.369 20 30 EEEDLO C=CCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(OC)c2)CCO1 ZINC001107802412 788503428 /nfs/dbraw/zinc/50/34/28/788503428.db2.gz RAZKFCCVCVRIJM-IBGZPJMESA-N 1 2 332.444 2.369 20 30 EEEDLO C[C@H](CC(=O)N(C)C1CC(Nc2ncccc2C#N)C1)n1cc[nH+]c1 ZINC001127080600 788776794 /nfs/dbraw/zinc/77/67/94/788776794.db2.gz SXPCFQRFQJBYOR-IUDNXUCKSA-N 1 2 338.415 2.202 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844357587 789041208 /nfs/dbraw/zinc/04/12/08/789041208.db2.gz PEJZDEGRYBYZLG-DEYYWGMASA-N 1 2 338.448 2.341 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844357587 789041218 /nfs/dbraw/zinc/04/12/18/789041218.db2.gz PEJZDEGRYBYZLG-DEYYWGMASA-N 1 2 338.448 2.341 20 30 EEEDLO C#CCCCC(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(OC)c2)CCO1 ZINC001107901220 789189874 /nfs/dbraw/zinc/18/98/74/789189874.db2.gz LFVIQVWNUIGAHS-FQEVSTJZSA-N 1 2 344.455 2.206 20 30 EEEDLO C#CCCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(OC)c2)CCO1 ZINC001107901220 789189882 /nfs/dbraw/zinc/18/98/82/789189882.db2.gz LFVIQVWNUIGAHS-FQEVSTJZSA-N 1 2 344.455 2.206 20 30 EEEDLO C#CC[NH+]1CCN(Cc2ccc(OC)cc2OC(F)(F)F)CC1 ZINC001144055156 789201963 /nfs/dbraw/zinc/20/19/63/789201963.db2.gz CBLSSELASIWVFE-UHFFFAOYSA-N 1 2 328.334 2.345 20 30 EEEDLO N#Cc1cncc(C[N@H+]2CCCN(C(=O)Cc3ccccc3)CC2)c1 ZINC001144083636 789223246 /nfs/dbraw/zinc/22/32/46/789223246.db2.gz MCQXTRCVNUOGGY-UHFFFAOYSA-N 1 2 334.423 2.230 20 30 EEEDLO N#Cc1cncc(C[N@@H+]2CCCN(C(=O)Cc3ccccc3)CC2)c1 ZINC001144083636 789223254 /nfs/dbraw/zinc/22/32/54/789223254.db2.gz MCQXTRCVNUOGGY-UHFFFAOYSA-N 1 2 334.423 2.230 20 30 EEEDLO Cc1ncccc1C[N@@H+]1CCO[C@](C)(CNC(=O)C#CC(C)(C)C)C1 ZINC001107935211 789356516 /nfs/dbraw/zinc/35/65/16/789356516.db2.gz XCIRGRJSXJWGNY-HXUWFJFHSA-N 1 2 343.471 2.147 20 30 EEEDLO Cc1ncccc1C[N@H+]1CCO[C@](C)(CNC(=O)C#CC(C)(C)C)C1 ZINC001107935211 789356523 /nfs/dbraw/zinc/35/65/23/789356523.db2.gz XCIRGRJSXJWGNY-HXUWFJFHSA-N 1 2 343.471 2.147 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](OCC)C2=CCCC2)C1 ZINC001107945301 789674470 /nfs/dbraw/zinc/67/44/70/789674470.db2.gz DABQFXGJFVMZSD-QUCCMNQESA-N 1 2 348.487 2.122 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](OCC)C2=CCCC2)C1 ZINC001107945301 789674476 /nfs/dbraw/zinc/67/44/76/789674476.db2.gz DABQFXGJFVMZSD-QUCCMNQESA-N 1 2 348.487 2.122 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000923561307 789772707 /nfs/dbraw/zinc/77/27/07/789772707.db2.gz XMGKDUXOLCNPJG-INIZCTEOSA-N 1 2 334.379 2.041 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000923561307 789772710 /nfs/dbraw/zinc/77/27/10/789772710.db2.gz XMGKDUXOLCNPJG-INIZCTEOSA-N 1 2 334.379 2.041 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)CC(=O)c2ccc(OC)cc2)C1 ZINC000923566860 789778163 /nfs/dbraw/zinc/77/81/63/789778163.db2.gz UBJNXDKGVIVUDT-WBVHZDCISA-N 1 2 342.439 2.118 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CC(=O)c2ccc(OC)cc2)C1 ZINC000923566860 789778165 /nfs/dbraw/zinc/77/81/65/789778165.db2.gz UBJNXDKGVIVUDT-WBVHZDCISA-N 1 2 342.439 2.118 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(F)(F)c2c(F)cccc2F)C1 ZINC000923565687 789787607 /nfs/dbraw/zinc/78/76/07/789787607.db2.gz DOEOREDBJJHJCY-NSHDSACASA-N 1 2 328.309 2.270 20 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RJLVWSQNJYKDHS-LJQANCHMSA-N 1 2 327.428 2.065 20 30 EEEDLO CC1(C(=O)NC[C@]2(C)C[N@@H+](Cc3cccc(C#N)c3)CCO2)CC1 ZINC001107959837 789939154 /nfs/dbraw/zinc/93/91/54/789939154.db2.gz RJLVWSQNJYKDHS-LJQANCHMSA-N 1 2 327.428 2.065 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](CNC(=O)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001060832655 789961983 /nfs/dbraw/zinc/96/19/83/789961983.db2.gz LOOARHICKIOATH-SHTZXODSSA-N 1 2 344.459 2.100 20 30 EEEDLO C=CC(C)(C)CC(=O)NC1(CNC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001062878203 789968808 /nfs/dbraw/zinc/96/88/08/789968808.db2.gz XRMVTGYFTGBWOS-UHFFFAOYSA-N 1 2 332.448 2.100 20 30 EEEDLO Cc1nc(NCC[C@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001063824827 791793445 /nfs/dbraw/zinc/79/34/45/791793445.db2.gz CAFFYNBIYIUXLW-MRXNPFEDSA-N 1 2 338.415 2.482 20 30 EEEDLO N#Cc1ccc(NCC[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)cn1 ZINC001063836459 791810910 /nfs/dbraw/zinc/81/09/10/791810910.db2.gz UPAXTUKEQUQASR-KRWDZBQOSA-N 1 2 338.415 2.033 20 30 EEEDLO 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CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cc(C)co1 ZINC001082046218 797119166 /nfs/dbraw/zinc/11/91/66/797119166.db2.gz MFPBBCLCSXCWNQ-SJLPKXTDSA-N 1 2 339.395 2.089 20 30 EEEDLO Cn1cnc2c1C[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)CC2 ZINC001172992846 797202690 /nfs/dbraw/zinc/20/26/90/797202690.db2.gz GHEITLKHVIFTNC-KGLIPLIRSA-N 1 2 345.447 2.070 20 30 EEEDLO Cn1cnc2c1C[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)CC2 ZINC001172992846 797202696 /nfs/dbraw/zinc/20/26/96/797202696.db2.gz GHEITLKHVIFTNC-KGLIPLIRSA-N 1 2 345.447 2.070 20 30 EEEDLO C=CCC(CC=C)C(=O)NC[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001082147975 797239476 /nfs/dbraw/zinc/23/94/76/797239476.db2.gz BYXGWCWXOHURMZ-KRWDZBQOSA-N 1 2 344.459 2.149 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001082197736 797289475 /nfs/dbraw/zinc/28/94/75/797289475.db2.gz FDHPQKTWBHWDML-HNAYVOBHSA-N 1 2 346.475 2.360 20 30 EEEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC12CCC2 ZINC001082183335 797298675 /nfs/dbraw/zinc/29/86/75/797298675.db2.gz BLWNTTLAAUASEJ-IPMKNSEASA-N 1 2 338.451 2.044 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC12CCC2 ZINC001082183335 797298681 /nfs/dbraw/zinc/29/86/81/797298681.db2.gz BLWNTTLAAUASEJ-IPMKNSEASA-N 1 2 338.451 2.044 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001082187118 797305450 /nfs/dbraw/zinc/30/54/50/797305450.db2.gz SERXFYIXNUCPCZ-INIZCTEOSA-N 1 2 346.475 2.373 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001082262481 797382134 /nfs/dbraw/zinc/38/21/34/797382134.db2.gz NCOHQTSOPJVYHF-ARFHVFGLSA-N 1 2 344.459 2.367 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001082262481 797382138 /nfs/dbraw/zinc/38/21/38/797382138.db2.gz NCOHQTSOPJVYHF-ARFHVFGLSA-N 1 2 344.459 2.367 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn(C)nc2Cl)[C@H]1C ZINC000994220380 797399558 /nfs/dbraw/zinc/39/95/58/797399558.db2.gz NUTHTLYPWUJMOT-ZYHUDNBSSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)nc2Cl)[C@H]1C ZINC000994220380 797399563 /nfs/dbraw/zinc/39/95/63/797399563.db2.gz NUTHTLYPWUJMOT-ZYHUDNBSSA-N 1 2 331.247 2.409 20 30 EEEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)[nH]n1 ZINC001095192855 797503498 /nfs/dbraw/zinc/50/34/98/797503498.db2.gz WRIBKXMYTWDCLJ-AOIWGVFYSA-N 1 2 349.438 2.379 20 30 EEEDLO CCc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)[nH]n1 ZINC001095192855 797503504 /nfs/dbraw/zinc/50/35/04/797503504.db2.gz WRIBKXMYTWDCLJ-AOIWGVFYSA-N 1 2 349.438 2.379 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C2(C(F)(F)F)CC2)C1 ZINC001150357036 797725936 /nfs/dbraw/zinc/72/59/36/797725936.db2.gz JYVLAXHHCNVWMM-LLVKDONJSA-N 1 2 340.773 2.289 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C2(C(F)(F)F)CC2)C1 ZINC001150357036 797725942 /nfs/dbraw/zinc/72/59/42/797725942.db2.gz JYVLAXHHCNVWMM-LLVKDONJSA-N 1 2 340.773 2.289 20 30 EEEDLO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2n[nH]c3ccc(C)cc32)[C@@H](O)C1 ZINC001090390447 797763532 /nfs/dbraw/zinc/76/35/32/797763532.db2.gz HCRPMKTUAQBJLT-IRXDYDNUSA-N 1 2 342.443 2.003 20 30 EEEDLO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2n[nH]c3ccc(C)cc32)[C@@H](O)C1 ZINC001090390447 797763536 /nfs/dbraw/zinc/76/35/36/797763536.db2.gz HCRPMKTUAQBJLT-IRXDYDNUSA-N 1 2 342.443 2.003 20 30 EEEDLO N#Cc1c(F)ccc(F)c1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001174493351 797770059 /nfs/dbraw/zinc/77/00/59/797770059.db2.gz AAQOBSQVUFGEQV-UHFFFAOYSA-N 1 2 333.342 2.109 20 30 EEEDLO C=C(C)CCC(=O)N1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001061065610 797830731 /nfs/dbraw/zinc/83/07/31/797830731.db2.gz ZEQOPIJONGXAPS-UHFFFAOYSA-N 1 2 344.459 2.068 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CCCCCC2=O)[C@@H]1C ZINC000994365411 797853175 /nfs/dbraw/zinc/85/31/75/797853175.db2.gz PKSSFLROOGYYMH-LSDHHAIUSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCCCCC2=O)[C@@H]1C ZINC000994365411 797853182 /nfs/dbraw/zinc/85/31/82/797853182.db2.gz PKSSFLROOGYYMH-LSDHHAIUSA-N 1 2 341.883 2.111 20 30 EEEDLO C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]cn1C)Nc1ccc(C#N)nc1 ZINC001089374364 798229773 /nfs/dbraw/zinc/22/97/73/798229773.db2.gz IPMAEKSPCRXYJS-KGLIPLIRSA-N 1 2 340.431 2.015 20 30 EEEDLO C[C@H](C[C@H](C)Nc1cccc(F)c1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001089381476 798276566 /nfs/dbraw/zinc/27/65/66/798276566.db2.gz SHOKGHPEFTXHDK-NWDGAFQWSA-N 1 2 329.379 2.358 20 30 EEEDLO C=C(C)CCC(=O)N[C@H](C)C[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001089400952 798380682 /nfs/dbraw/zinc/38/06/82/798380682.db2.gz QYQHRSDUMVBICH-OLZOCXBDSA-N 1 2 334.468 2.298 20 30 EEEDLO Cc1nccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)n1 ZINC001084837109 798493667 /nfs/dbraw/zinc/49/36/67/798493667.db2.gz ZVKFNBCDWYNWAC-IEBWSBKVSA-N 1 2 347.422 2.003 20 30 EEEDLO Cc1nccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)n1 ZINC001084837109 798493668 /nfs/dbraw/zinc/49/36/68/798493668.db2.gz ZVKFNBCDWYNWAC-IEBWSBKVSA-N 1 2 347.422 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/nfs/dbraw/zinc/63/31/84/798633184.db2.gz RCGWJRCCHWXXQX-IRXDYDNUSA-N 1 2 334.464 2.295 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)CC(CC)CC)C[C@@H]21 ZINC001177124119 798738441 /nfs/dbraw/zinc/73/84/41/798738441.db2.gz GWSOOZYVQUSYDU-ROUUACIJSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC(CC)CC)C[C@@H]21 ZINC001177124119 798738445 /nfs/dbraw/zinc/73/84/45/798738445.db2.gz GWSOOZYVQUSYDU-ROUUACIJSA-N 1 2 338.492 2.317 20 30 EEEDLO N#Cc1ccc(CNC(=O)N2CCC(Nc3cccc[nH+]3)CC2)nc1 ZINC000922103073 798942913 /nfs/dbraw/zinc/94/29/13/798942913.db2.gz AVAIAZVIIKALHF-UHFFFAOYSA-N 1 2 336.399 2.134 20 30 EEEDLO C=CCn1cccc1C(=O)NC1CC[NH+](Cc2nccc(C)n2)CC1 ZINC001003029541 799076052 /nfs/dbraw/zinc/07/60/52/799076052.db2.gz GLFRPZBIDWQTAI-UHFFFAOYSA-N 1 2 339.443 2.167 20 30 EEEDLO C=C(C)CCC(=O)NCc1cnn2c1C[N@H+](CC[C@H]1CCCO1)CC2 ZINC001128371656 799108866 /nfs/dbraw/zinc/10/88/66/799108866.db2.gz AJBBWBLPZAFRAT-QGZVFWFLSA-N 1 2 346.475 2.240 20 30 EEEDLO C=C(C)CCC(=O)NCc1cnn2c1C[N@@H+](CC[C@H]1CCCO1)CC2 ZINC001128371656 799108869 /nfs/dbraw/zinc/10/88/69/799108869.db2.gz AJBBWBLPZAFRAT-QGZVFWFLSA-N 1 2 346.475 2.240 20 30 EEEDLO C=C(C)CCC(=O)NCc1cnn2c1C[N@H+](C[C@@H](CC)OC)CC2 ZINC001128371721 799109609 /nfs/dbraw/zinc/10/96/09/799109609.db2.gz DSABDHNTOUFKBB-MRXNPFEDSA-N 1 2 334.464 2.096 20 30 EEEDLO C=C(C)CCC(=O)NCc1cnn2c1C[N@@H+](C[C@@H](CC)OC)CC2 ZINC001128371721 799109611 /nfs/dbraw/zinc/10/96/11/799109611.db2.gz DSABDHNTOUFKBB-MRXNPFEDSA-N 1 2 334.464 2.096 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C=C(C)C)C2)CC1 ZINC001065683144 799340585 /nfs/dbraw/zinc/34/05/85/799340585.db2.gz UWSTYBILTZHZDW-ZWKOTPCHSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CC1(CC(=O)N2CC[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)CCCCC1 ZINC001065707192 799357274 /nfs/dbraw/zinc/35/72/74/799357274.db2.gz QVOZGLSMTFGMTD-GOSISDBHSA-N 1 2 347.503 2.278 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001065712353 799411096 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346.475 2.397 20 30 EEEDLO Cc1nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)C#CC2CC2)c(C)c(C)[nH+]1 ZINC001066148972 800069667 /nfs/dbraw/zinc/06/96/67/800069667.db2.gz VRNBAHJRBOPDLY-ZWKOTPCHSA-N 1 2 338.455 2.385 20 30 EEEDLO C=CCCC[N@@H+](CCO)C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001098371594 800330753 /nfs/dbraw/zinc/33/07/53/800330753.db2.gz ZZKDHMVCONVRSG-ZDUSSCGKSA-N 1 2 340.361 2.138 20 30 EEEDLO C=CCCC[N@H+](CCO)C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001098371594 800330762 /nfs/dbraw/zinc/33/07/62/800330762.db2.gz ZZKDHMVCONVRSG-ZDUSSCGKSA-N 1 2 340.361 2.138 20 30 EEEDLO C=CCCC[N@@H+](CCO)C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001098371594 800330767 /nfs/dbraw/zinc/33/07/67/800330767.db2.gz ZZKDHMVCONVRSG-ZDUSSCGKSA-N 1 2 340.361 2.138 20 30 EEEDLO C=CCCC[N@H+](CCO)C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001098371594 800330775 /nfs/dbraw/zinc/33/07/75/800330775.db2.gz ZZKDHMVCONVRSG-ZDUSSCGKSA-N 1 2 340.361 2.138 20 30 EEEDLO CN(C(=O)c1cocn1)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032949485 800487546 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C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCCCO2)C1 ZINC001032991441 800708785 /nfs/dbraw/zinc/70/87/85/800708785.db2.gz FVINVZBKIUAEAH-KGLIPLIRSA-N 1 2 345.281 2.387 20 30 EEEDLO C#Cc1ccc(C(=O)NC2CC[NH+](CC(=C)Br)CC2)cn1 ZINC001003997001 800750412 /nfs/dbraw/zinc/75/04/12/800750412.db2.gz AMMCBCJITSTAAA-UHFFFAOYSA-N 1 2 348.244 2.166 20 30 EEEDLO C=CCCC1(C(=O)N2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001066284777 800904609 /nfs/dbraw/zinc/90/46/09/800904609.db2.gz GNDWOTJQDISMHL-MRXNPFEDSA-N 1 2 344.459 2.127 20 30 EEEDLO CSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110263223 801078421 /nfs/dbraw/zinc/07/84/21/801078421.db2.gz QMLGKFVTCJWUGZ-BMFZPTHFSA-N 1 2 333.432 2.282 20 30 EEEDLO CSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110263223 801078426 /nfs/dbraw/zinc/07/84/26/801078426.db2.gz QMLGKFVTCJWUGZ-BMFZPTHFSA-N 1 2 333.432 2.282 20 30 EEEDLO COc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)cn1 ZINC001085710921 801107218 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C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@@H](C)c2cnccn2)cc1 ZINC001085756833 801196387 /nfs/dbraw/zinc/19/63/87/801196387.db2.gz RLCPOXXARUGXKL-YJBOKZPZSA-N 1 2 334.423 2.365 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2[C@@H](C)c2cnccn2)cc1 ZINC001085756833 801196390 /nfs/dbraw/zinc/19/63/90/801196390.db2.gz RLCPOXXARUGXKL-YJBOKZPZSA-N 1 2 334.423 2.365 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)c1 ZINC001085809992 801331076 /nfs/dbraw/zinc/33/10/76/801331076.db2.gz SAQHXUQKGAWAQR-NRFANRHFSA-N 1 2 343.430 2.261 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C[C@@H]2CC[N@H+]2CC#Cc2ccccc2)c1 ZINC001085809992 801331084 /nfs/dbraw/zinc/33/10/84/801331084.db2.gz SAQHXUQKGAWAQR-NRFANRHFSA-N 1 2 343.430 2.261 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccnc1C(F)(F)F ZINC001085843352 801415214 /nfs/dbraw/zinc/41/52/14/801415214.db2.gz KBPJRNGKQSCFJO-GFCCVEGCSA-N 1 2 325.334 2.270 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccnc1C(F)(F)F ZINC001085843352 801415219 /nfs/dbraw/zinc/41/52/19/801415219.db2.gz KBPJRNGKQSCFJO-GFCCVEGCSA-N 1 2 325.334 2.270 20 30 EEEDLO C#CCC1(C(=O)N2CC[C@@H]([NH2+]Cc3nc(C4CCC4)no3)C2)CCC1 ZINC001183193020 801507032 /nfs/dbraw/zinc/50/70/32/801507032.db2.gz BPVZDMOXDBSEHK-OAHLLOKOSA-N 1 2 342.443 2.221 20 30 EEEDLO N#Cc1cccnc1N1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001061477263 801706034 /nfs/dbraw/zinc/70/60/34/801706034.db2.gz GUEKEUPRXYGSHO-HNNXBMFYSA-N 1 2 346.394 2.228 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3cccnc32)[C@@H](O)C1 ZINC001090403614 802057035 /nfs/dbraw/zinc/05/70/35/802057035.db2.gz NBFIVYPZXQMUHZ-CVEARBPZSA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc3cccnc32)[C@@H](O)C1 ZINC001090403614 802057040 /nfs/dbraw/zinc/05/70/40/802057040.db2.gz NBFIVYPZXQMUHZ-CVEARBPZSA-N 1 2 345.830 2.152 20 30 EEEDLO CC(C)Cn1nccc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004445805 802060528 /nfs/dbraw/zinc/06/05/28/802060528.db2.gz IGXNYNSALHXPFS-KRWDZBQOSA-N 1 2 343.475 2.379 20 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C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3oc(=O)[nH]c3c2)C1 ZINC001033172238 802737814 /nfs/dbraw/zinc/73/78/14/802737814.db2.gz FEENMCVNJKSBBW-LBPRGKRZSA-N 1 2 335.791 2.432 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC001108266249 802767364 /nfs/dbraw/zinc/76/73/64/802767364.db2.gz KSEYLXVKDLTUFB-UZLBHIALSA-N 1 2 344.455 2.118 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCc3cccc(OC)c32)C1 ZINC001108266249 802767367 /nfs/dbraw/zinc/76/73/67/802767367.db2.gz KSEYLXVKDLTUFB-UZLBHIALSA-N 1 2 344.455 2.118 20 30 EEEDLO NC(Cc1cccnc1)=[NH+]OCc1nc(-c2ccccc2F)no1 ZINC000186778428 802811304 /nfs/dbraw/zinc/81/13/04/802811304.db2.gz LEIBJMXDEKSBRO-UHFFFAOYSA-N 1 2 327.319 2.302 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001108093573 802960112 /nfs/dbraw/zinc/96/01/12/802960112.db2.gz XTLITDMUTUELJJ-FQEVSTJZSA-N 1 2 328.456 2.500 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001108093573 802960116 /nfs/dbraw/zinc/96/01/16/802960116.db2.gz XTLITDMUTUELJJ-FQEVSTJZSA-N 1 2 328.456 2.500 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccnc(OC3CCC3)c2)C1 ZINC001108312972 803283271 /nfs/dbraw/zinc/28/32/71/803283271.db2.gz UYKZGDQFIVJPSU-LJQANCHMSA-N 1 2 345.443 2.020 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccnc(OC3CCC3)c2)C1 ZINC001108312972 803283277 /nfs/dbraw/zinc/28/32/77/803283277.db2.gz UYKZGDQFIVJPSU-LJQANCHMSA-N 1 2 345.443 2.020 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@H](CC)CCCC)CC2=O)C1 ZINC001108509797 803875400 /nfs/dbraw/zinc/87/54/00/803875400.db2.gz KSKVXGSWILDWPN-CVEARBPZSA-N 1 2 335.492 2.180 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CCC[C@H](C)CCC)CC2=O)C1 ZINC001108550075 804038827 /nfs/dbraw/zinc/03/88/27/804038827.db2.gz WEQKDEWUXGZUKK-CVEARBPZSA-N 1 2 335.492 2.180 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)CC2=O)C1 ZINC001108586705 804213667 /nfs/dbraw/zinc/21/36/67/804213667.db2.gz BHEFQKVFQKPYEL-JKSUJKDBSA-N 1 2 349.519 2.426 20 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C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnn(C(C)(C)C)c1 ZINC001109088535 804949682 /nfs/dbraw/zinc/94/96/82/804949682.db2.gz OFQYBHIZOYLFCZ-UKMLZYKCSA-N 1 2 329.448 2.019 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001109121780 804994492 /nfs/dbraw/zinc/99/44/92/804994492.db2.gz JNSOJSJQOAKSKQ-RYRKJORJSA-N 1 2 347.459 2.496 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001109121780 804994497 /nfs/dbraw/zinc/99/44/97/804994497.db2.gz JNSOJSJQOAKSKQ-RYRKJORJSA-N 1 2 347.459 2.496 20 30 EEEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nn(C)c1Cl ZINC001109212093 805126424 /nfs/dbraw/zinc/12/64/24/805126424.db2.gz VASZAAIPWKHODH-KBMXLJTQSA-N 1 2 348.878 2.407 20 30 EEEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nn(C)c1Cl ZINC001109212093 805126430 /nfs/dbraw/zinc/12/64/30/805126430.db2.gz VASZAAIPWKHODH-KBMXLJTQSA-N 1 2 348.878 2.407 20 30 EEEDLO Cc1cc(N(C)C[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)c(C#N)cn1 ZINC001109312029 805299860 /nfs/dbraw/zinc/29/98/60/805299860.db2.gz DEULSTSNECUIER-CYBMUJFWSA-N 1 2 348.410 2.393 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(C)CCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001109430755 805451035 /nfs/dbraw/zinc/45/10/35/805451035.db2.gz IMVANEOAQHYVHD-LJQANCHMSA-N 1 2 346.475 2.251 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CC[NH+](CCOCc2ccccc2)CC1 ZINC001112836951 807380837 /nfs/dbraw/zinc/38/08/37/807380837.db2.gz NHQUVKBXJGTCEB-UHFFFAOYSA-N 1 2 328.456 2.397 20 30 EEEDLO C[C@@H](CC(=O)NC1CC(CNc2ccc(C#N)cn2)C1)n1cc[nH+]c1 ZINC001112871774 807517619 /nfs/dbraw/zinc/51/76/19/807517619.db2.gz LMFSWNXIXULYHW-JEYLPNPQSA-N 1 2 338.415 2.108 20 30 EEEDLO Cc1nc(N[C@@H](C)[C@@H](C)NC(=O)CSCC#N)c2c([nH+]1)CCCC2 ZINC001112910895 807594371 /nfs/dbraw/zinc/59/43/71/807594371.db2.gz KWFGFHDIBIXDHV-NEPJUHHUSA-N 1 2 347.488 2.226 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H](C)Nc1cccc(F)c1C#N ZINC001113138397 808248635 /nfs/dbraw/zinc/24/86/35/808248635.db2.gz PXKBUXWVANYPMR-WDEREUQCSA-N 1 2 329.379 2.277 20 30 EEEDLO C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@H](C)Nc1ncccc1C#N ZINC001113220168 808467495 /nfs/dbraw/zinc/46/74/95/808467495.db2.gz MMRXDADWJLCTHP-QWHCGFSZSA-N 1 2 334.383 2.220 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](Cc2ccc3c(c2)nnn3C)CC1 ZINC001113241515 808526496 /nfs/dbraw/zinc/52/64/96/808526496.db2.gz IZYMJVCAUYRPMR-OAHLLOKOSA-N 1 2 341.459 2.215 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@H](C)[C@H](C)Nc2ccc(C#N)nn2)c(C)[nH+]1 ZINC001113381586 808865058 /nfs/dbraw/zinc/86/50/58/808865058.db2.gz BZIRBKFLNNZDKA-QWHCGFSZSA-N 1 2 338.415 2.287 20 30 EEEDLO C=CCC1(C(=O)N2CC[NH+](CCOC3CCC3)CC2)CCOCC1 ZINC001113593803 809313166 /nfs/dbraw/zinc/31/31/66/809313166.db2.gz WBCPWJAXFKBVMT-UHFFFAOYSA-N 1 2 336.476 2.073 20 30 EEEDLO C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001086608061 809776377 /nfs/dbraw/zinc/77/63/77/809776377.db2.gz LSBSAQRYESJWPG-GOEBONIOSA-N 1 2 328.391 2.323 20 30 EEEDLO C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001086608061 809776381 /nfs/dbraw/zinc/77/63/81/809776381.db2.gz LSBSAQRYESJWPG-GOEBONIOSA-N 1 2 328.391 2.323 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H](C)N(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001113851527 809956321 /nfs/dbraw/zinc/95/63/21/809956321.db2.gz MNYJKSIIAJVSOZ-IFXJQAMLSA-N 1 2 345.491 2.008 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H](C)N(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001113851527 809956326 /nfs/dbraw/zinc/95/63/26/809956326.db2.gz MNYJKSIIAJVSOZ-IFXJQAMLSA-N 1 2 345.491 2.008 20 30 EEEDLO Cc1ccc(C#N)c(N(C)[C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC001113902931 810040128 /nfs/dbraw/zinc/04/01/28/810040128.db2.gz QYDXMLIIWJQKEQ-HUUCEWRRSA-N 1 2 340.431 2.050 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@]2(CC[N@H+](Cc3coc(C)n3)C2)C1 ZINC001131646264 813071353 /nfs/dbraw/zinc/07/13/53/813071353.db2.gz SKYXAPBQPHICGV-KDOFPFPSSA-N 1 2 333.432 2.141 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@]2(CC[N@@H+](Cc3coc(C)n3)C2)C1 ZINC001131646264 813071363 /nfs/dbraw/zinc/07/13/63/813071363.db2.gz SKYXAPBQPHICGV-KDOFPFPSSA-N 1 2 333.432 2.141 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)O[C@]2(CC[N@H+](Cc3ccon3)C2)C1 ZINC001131661251 813088145 /nfs/dbraw/zinc/08/81/45/813088145.db2.gz LNJQVJBZANXLCX-BEFAXECRSA-N 1 2 347.459 2.469 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)O[C@]2(CC[N@@H+](Cc3ccon3)C2)C1 ZINC001131661251 813088157 /nfs/dbraw/zinc/08/81/57/813088157.db2.gz LNJQVJBZANXLCX-BEFAXECRSA-N 1 2 347.459 2.469 20 30 EEEDLO CC(C)SCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001438155590 1090669489 /nfs/dbraw/zinc/66/94/89/1090669489.db2.gz MGBCDRPVVWJEHE-IRXDYDNUSA-N 1 2 329.469 2.485 20 30 EEEDLO CC(C)SCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001438155590 1090669491 /nfs/dbraw/zinc/66/94/91/1090669491.db2.gz MGBCDRPVVWJEHE-IRXDYDNUSA-N 1 2 329.469 2.485 20 30 EEEDLO CN(CC[N@H+](C)Cc1cnc(Cl)s1)C(=O)c1cc(C#N)c[nH]1 ZINC001438868802 1091506869 /nfs/dbraw/zinc/50/68/69/1091506869.db2.gz RBRDKRQSNJCMQE-UHFFFAOYSA-N 1 2 337.836 2.200 20 30 EEEDLO 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C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(C(F)(F)F)n(C)n1 ZINC001498293338 1107232105 /nfs/dbraw/zinc/23/21/05/1107232105.db2.gz KYIQZWRQCZJWNR-VIFPVBQESA-N 1 2 338.761 2.242 20 30 EEEDLO N#Cc1ccc(C[N@H+](CCNC(=O)[C@@H]2CCCOC2)C2CC2)c(F)c1 ZINC001493356041 1107978571 /nfs/dbraw/zinc/97/85/71/1107978571.db2.gz CPMMDNWGQKSMEV-MRXNPFEDSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@@H+](CCNC(=O)[C@@H]2CCCOC2)C2CC2)c(F)c1 ZINC001493356041 1107978580 /nfs/dbraw/zinc/97/85/80/1107978580.db2.gz CPMMDNWGQKSMEV-MRXNPFEDSA-N 1 2 345.418 2.205 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccoc1 ZINC001498966205 1108388794 /nfs/dbraw/zinc/38/87/94/1108388794.db2.gz ILROJIDBOCTGNC-QGZVFWFLSA-N 1 2 339.395 2.093 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)Cc1ccoc1 ZINC001498966205 1108388807 /nfs/dbraw/zinc/38/88/07/1108388807.db2.gz ILROJIDBOCTGNC-QGZVFWFLSA-N 1 2 339.395 2.093 20 30 EEEDLO CC[C@@H](C(=O)[C@H](C#N)C(=O)Nc1ccccc1OC)[NH+](CC)CC ZINC001523875044 1119905960 /nfs/dbraw/zinc/90/59/60/1119905960.db2.gz NSUPNRGQIXNQPD-ZFWWWQNUSA-N 1 2 331.416 2.463 20 30 EEEDLO CC(C)[C@H]1C(=O)NCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000160118240 539520624 /nfs/dbraw/zinc/52/06/24/539520624.db2.gz SEGIRXUAWATRAJ-HNNXBMFYSA-N 1 2 340.345 2.393 20 30 EEEDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000160118240 539520629 /nfs/dbraw/zinc/52/06/29/539520629.db2.gz SEGIRXUAWATRAJ-HNNXBMFYSA-N 1 2 340.345 2.393 20 30 EEEDLO C=CC[N@H+](Cc1ccc(-n2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000067400012 215140321 /nfs/dbraw/zinc/14/03/21/215140321.db2.gz SWYYTGQAOYAMQG-QGZVFWFLSA-N 1 2 331.441 2.047 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(-n2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000067400012 215140324 /nfs/dbraw/zinc/14/03/24/215140324.db2.gz SWYYTGQAOYAMQG-QGZVFWFLSA-N 1 2 331.441 2.047 20 30 EEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@@H]2CC2(C)C)CC1 ZINC000329355063 539772403 /nfs/dbraw/zinc/77/24/03/539772403.db2.gz YUHYNRDOCVTCIB-HNNXBMFYSA-N 1 2 333.480 2.115 20 30 EEEDLO C[C@H](CNS(=O)(=O)CCCCC#N)[N@@H+]1CCc2sccc2C1 ZINC000109338034 237131208 /nfs/dbraw/zinc/13/12/08/237131208.db2.gz LUWAOYZCZGQKAT-CYBMUJFWSA-N 1 2 341.502 2.108 20 30 EEEDLO C[C@H](CNS(=O)(=O)CCCCC#N)[N@H+]1CCc2sccc2C1 ZINC000109338034 237131218 /nfs/dbraw/zinc/13/12/18/237131218.db2.gz LUWAOYZCZGQKAT-CYBMUJFWSA-N 1 2 341.502 2.108 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)C1=O ZINC000491355156 246003242 /nfs/dbraw/zinc/00/32/42/246003242.db2.gz OAKRHTCANUWCFA-QLFBSQMISA-N 1 2 337.464 2.103 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)C1=O ZINC000491355156 246003246 /nfs/dbraw/zinc/00/32/46/246003246.db2.gz OAKRHTCANUWCFA-QLFBSQMISA-N 1 2 337.464 2.103 20 30 EEEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000491785538 246150881 /nfs/dbraw/zinc/15/08/81/246150881.db2.gz RPKDBXPXDVITEF-ZDUSSCGKSA-N 1 2 347.846 2.128 20 30 EEEDLO C[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000264209248 246184983 /nfs/dbraw/zinc/18/49/83/246184983.db2.gz GPAMBTBOWKFQAR-KKUMJFAQSA-N 1 2 330.432 2.028 20 30 EEEDLO Cc1ccc2[nH+]cc(CN3CCN(c4nccnc4C#N)C[C@@H]3C)n2c1 ZINC000091936924 218092392 /nfs/dbraw/zinc/09/23/92/218092392.db2.gz GVSJFBVWLRWBTJ-HNNXBMFYSA-N 1 2 347.426 2.015 20 30 EEEDLO Cc1ccc2ncc(C[N@H+]3CCN(c4nccnc4C#N)C[C@@H]3C)n2c1 ZINC000091936924 218092396 /nfs/dbraw/zinc/09/23/96/218092396.db2.gz GVSJFBVWLRWBTJ-HNNXBMFYSA-N 1 2 347.426 2.015 20 30 EEEDLO Cc1ccc2ncc(C[N@@H+]3CCN(c4nccnc4C#N)C[C@@H]3C)n2c1 ZINC000091936924 218092399 /nfs/dbraw/zinc/09/23/99/218092399.db2.gz GVSJFBVWLRWBTJ-HNNXBMFYSA-N 1 2 347.426 2.015 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2C2CC2)CC1 ZINC000491483374 533158434 /nfs/dbraw/zinc/15/84/34/533158434.db2.gz BLWKUCYRLPFGRY-UHFFFAOYSA-N 1 2 339.418 2.098 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3SCCS3)CC2)cc1 ZINC000270511431 256142562 /nfs/dbraw/zinc/14/25/62/256142562.db2.gz OSQDQGYLVNIGJC-UHFFFAOYSA-N 1 2 333.482 2.009 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)c1 ZINC000271023230 256199824 /nfs/dbraw/zinc/19/98/24/256199824.db2.gz CETYJININGEIBH-UHFFFAOYSA-N 1 2 348.454 2.271 20 30 EEEDLO CN(Cc1cccc(C#N)c1)c1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000273168519 256272449 /nfs/dbraw/zinc/27/24/49/256272449.db2.gz LXGMPMPITQXBKU-QGZVFWFLSA-N 1 2 337.427 2.336 20 30 EEEDLO CN(Cc1cccc(C#N)c1)c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000273168519 256272450 /nfs/dbraw/zinc/27/24/50/256272450.db2.gz LXGMPMPITQXBKU-QGZVFWFLSA-N 1 2 337.427 2.336 20 30 EEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000491729861 533285542 /nfs/dbraw/zinc/28/55/42/533285542.db2.gz OIEWXANJXZSECT-VIFPVBQESA-N 1 2 340.177 2.249 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000491729861 533285546 /nfs/dbraw/zinc/28/55/46/533285546.db2.gz OIEWXANJXZSECT-VIFPVBQESA-N 1 2 340.177 2.249 20 30 EEEDLO C#C[C@H](CC)NC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000491760594 533302849 /nfs/dbraw/zinc/30/28/49/533302849.db2.gz RRPUIWCXGPXXDX-MSOLQXFVSA-N 1 2 329.444 2.079 20 30 EEEDLO COc1cc(C#N)ccc1C[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000179653349 533497145 /nfs/dbraw/zinc/49/71/45/533497145.db2.gz MJBXJVOKBYBZJW-UHFFFAOYSA-N 1 2 326.400 2.181 20 30 EEEDLO Cc1noc(C2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC000193544518 160182823 /nfs/dbraw/zinc/18/28/23/160182823.db2.gz HHWHJQYOYNOYMT-UHFFFAOYSA-N 1 2 325.372 2.068 20 30 EEEDLO CN(C)c1ccc(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)c[nH+]1 ZINC000342577703 161075607 /nfs/dbraw/zinc/07/56/07/161075607.db2.gz XPRJZAYHSQIOQN-UHFFFAOYSA-N 1 2 346.394 2.135 20 30 EEEDLO Cc1nc(SCC(=O)NCCc2[nH]cc[nH+]2)c(C#N)c(C)c1C ZINC000345158579 161277519 /nfs/dbraw/zinc/27/75/19/161277519.db2.gz CTAMMPMYQPBMIE-UHFFFAOYSA-N 1 2 329.429 2.053 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnc(C4CC4)nc3)CC2)cc1 ZINC000294448239 270018232 /nfs/dbraw/zinc/01/82/32/270018232.db2.gz SSLJDHBTCYMARE-UHFFFAOYSA-N 1 2 347.422 2.184 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c(F)c1 ZINC000296068130 270018275 /nfs/dbraw/zinc/01/82/75/270018275.db2.gz QZVVVVBVYJCUMG-UHFFFAOYSA-N 1 2 341.346 2.323 20 30 EEEDLO CCC[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC000297012869 266076968 /nfs/dbraw/zinc/07/69/68/266076968.db2.gz VTCQOHAHBVNYHT-GOSISDBHSA-N 1 2 344.459 2.201 20 30 EEEDLO CC[N@H+](CCc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290487284 266130983 /nfs/dbraw/zinc/13/09/83/266130983.db2.gz XNNVNHFIJJITOB-UHFFFAOYSA-N 1 2 343.452 2.292 20 30 EEEDLO CC[N@@H+](CCc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290487284 266130992 /nfs/dbraw/zinc/13/09/92/266130992.db2.gz XNNVNHFIJJITOB-UHFFFAOYSA-N 1 2 343.452 2.292 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000279655532 267143101 /nfs/dbraw/zinc/14/31/01/267143101.db2.gz CDHSCWYYMYFVPL-GPINWOSQSA-N 1 2 343.427 2.154 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000279655532 267143103 /nfs/dbraw/zinc/14/31/03/267143103.db2.gz CDHSCWYYMYFVPL-GPINWOSQSA-N 1 2 343.427 2.154 20 30 EEEDLO Cc1nsc(N2CCN(C(=O)Nc3cc[nH+]c(C)c3)CC2)c1C#N ZINC000290027811 267691398 /nfs/dbraw/zinc/69/13/98/267691398.db2.gz FTVVCBGEHGIIGR-UHFFFAOYSA-N 1 2 342.428 2.381 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000287842738 268266598 /nfs/dbraw/zinc/26/65/98/268266598.db2.gz QSRVGQBWPUFJFH-GOSISDBHSA-N 1 2 336.395 2.183 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000287842738 268266600 /nfs/dbraw/zinc/26/66/00/268266600.db2.gz QSRVGQBWPUFJFH-GOSISDBHSA-N 1 2 336.395 2.183 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(S(=O)(=O)CCC3CCC3)CC2)cc1 ZINC000289050212 275097166 /nfs/dbraw/zinc/09/71/66/275097166.db2.gz FNRXKNYAWBDIFY-UHFFFAOYSA-N 1 2 347.484 2.196 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccccc2-n2cccn2)C1 ZINC001032004483 782055645 /nfs/dbraw/zinc/05/56/45/782055645.db2.gz GWESSOVWKLYZFT-UHFFFAOYSA-N 1 2 330.819 2.286 20 30 EEEDLO CC[C@H]1CN(C)CC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000565578051 319194857 /nfs/dbraw/zinc/19/48/57/319194857.db2.gz WMDYILFJIZEHEY-WMZOPIPTSA-N 1 2 326.444 2.080 20 30 EEEDLO CC[C@H]1CN(C)CC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000565578051 319194859 /nfs/dbraw/zinc/19/48/59/319194859.db2.gz WMDYILFJIZEHEY-WMZOPIPTSA-N 1 2 326.444 2.080 20 30 EEEDLO COC(=O)[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)[C@H]1CCC[C@@H](OC)C1 ZINC000572008339 319807558 /nfs/dbraw/zinc/80/75/58/319807558.db2.gz UZLBMIZCIRAPGH-YXJHDRRASA-N 1 2 346.427 2.403 20 30 EEEDLO COc1ccc(F)cc1C[NH+]1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000573338190 319926073 /nfs/dbraw/zinc/92/60/73/319926073.db2.gz GTFQHJCSCJUPQS-UHFFFAOYSA-N 1 2 341.390 2.005 20 30 EEEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2ccc(Cl)s2)c1=O ZINC000576122954 320143674 /nfs/dbraw/zinc/14/36/74/320143674.db2.gz UYIFTNLTJOHOTL-UHFFFAOYSA-N 1 2 349.843 2.315 20 30 EEEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1F)CCC2 ZINC000576143638 320144792 /nfs/dbraw/zinc/14/47/92/320144792.db2.gz DOBNJDSLNFUTFJ-CYBMUJFWSA-N 1 2 348.403 2.058 20 30 EEEDLO Cc1cc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)nn1CCC#N ZINC000611266850 449243728 /nfs/dbraw/zinc/24/37/28/449243728.db2.gz HJSVTXBRUYFXAN-UHFFFAOYSA-N 1 2 327.392 2.171 20 30 EEEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)cn1C ZINC000347646298 465145592 /nfs/dbraw/zinc/14/55/92/465145592.db2.gz FCOCACRGKVCQIB-UHFFFAOYSA-N 1 2 338.411 2.006 20 30 EEEDLO Cc1ccnc(CN2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)n1 ZINC000328882337 465156343 /nfs/dbraw/zinc/15/63/43/465156343.db2.gz XAYLEOOUVBFFIY-HNNXBMFYSA-N 1 2 331.464 2.190 20 30 EEEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC(N2CCCNC2=O)CC1 ZINC000329232149 465274809 /nfs/dbraw/zinc/27/48/09/465274809.db2.gz FTRXJRHRBHMMFI-UHFFFAOYSA-N 1 2 331.420 2.328 20 30 EEEDLO C=CCOCCCSCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000359140079 465380722 /nfs/dbraw/zinc/38/07/22/465380722.db2.gz WZRFBSYRGVBCQA-UHFFFAOYSA-N 1 2 349.500 2.446 20 30 EEEDLO C=CC[N@H+](Cc1ccc(Cl)s1)CC1(O)CCS(=O)(=O)CC1 ZINC000348076899 465408443 /nfs/dbraw/zinc/40/84/43/465408443.db2.gz QHFGAAWMGOVTNK-UHFFFAOYSA-N 1 2 349.905 2.329 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)CC1(O)CCS(=O)(=O)CC1 ZINC000348076899 465408448 /nfs/dbraw/zinc/40/84/48/465408448.db2.gz QHFGAAWMGOVTNK-UHFFFAOYSA-N 1 2 349.905 2.329 20 30 EEEDLO CCOC(=O)C1CC[NH+](Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000535220551 468303324 /nfs/dbraw/zinc/30/33/24/468303324.db2.gz PZVMMWHSUVJIAR-UHFFFAOYSA-N 1 2 330.384 2.120 20 30 EEEDLO COc1ccc(OCC[N@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000152652467 462565176 /nfs/dbraw/zinc/56/51/76/462565176.db2.gz PPURMMURSUZEFO-GOSISDBHSA-N 1 2 339.395 2.104 20 30 EEEDLO COc1ccc(OCC[N@@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000152652467 462565178 /nfs/dbraw/zinc/56/51/78/462565178.db2.gz PPURMMURSUZEFO-GOSISDBHSA-N 1 2 339.395 2.104 20 30 EEEDLO COc1ccc([C@@H](NC(=O)N(C)C[C@@H](C)C#N)c2[nH+]ccn2C)cc1 ZINC000045312276 462576454 /nfs/dbraw/zinc/57/64/54/462576454.db2.gz XLDMSSVZDAGLDE-XJKSGUPXSA-N 1 2 341.415 2.319 20 30 EEEDLO NC(=[NH+]OCC(=O)NC1CC1)c1ccc(OCc2ccccc2)cc1 ZINC000064430557 462702655 /nfs/dbraw/zinc/70/26/55/462702655.db2.gz ZBANWDBKWSOAKK-UHFFFAOYSA-N 1 2 339.395 2.181 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCCCO2)CC1 ZINC000491167612 468312912 /nfs/dbraw/zinc/31/29/12/468312912.db2.gz YYGUGHLSNJBGRH-DLBZAZTESA-N 1 2 345.491 2.116 20 30 EEEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000046834564 462709003 /nfs/dbraw/zinc/70/90/03/462709003.db2.gz ZHMYJMVLBWAPQL-QGZVFWFLSA-N 1 2 337.354 2.461 20 30 EEEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000046834564 462709009 /nfs/dbraw/zinc/70/90/09/462709009.db2.gz ZHMYJMVLBWAPQL-QGZVFWFLSA-N 1 2 337.354 2.461 20 30 EEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCn2cccc2)CC1=O ZINC000154006898 462718699 /nfs/dbraw/zinc/71/86/99/462718699.db2.gz QAGNFMKJROWTEE-UHFFFAOYSA-N 1 2 335.411 2.148 20 30 EEEDLO CC[N@@H+](CC(=O)N1CCN(c2cccc(C)c2)CC1)C[C@@H](C)C#N ZINC000049982412 462983189 /nfs/dbraw/zinc/98/31/89/462983189.db2.gz YDHHWCNJZBYPCL-KRWDZBQOSA-N 1 2 328.460 2.125 20 30 EEEDLO CC[N@H+](CC(=O)N1CCN(c2cccc(C)c2)CC1)C[C@@H](C)C#N ZINC000049982412 462983193 /nfs/dbraw/zinc/98/31/93/462983193.db2.gz YDHHWCNJZBYPCL-KRWDZBQOSA-N 1 2 328.460 2.125 20 30 EEEDLO COc1cccc2c1C[N@H+](CC(=O)NC1(C#N)CCCCC1)CC2 ZINC000590759902 468330614 /nfs/dbraw/zinc/33/06/14/468330614.db2.gz LRPASGBMWGNWFK-UHFFFAOYSA-N 1 2 327.428 2.396 20 30 EEEDLO COc1cccc2c1C[N@@H+](CC(=O)NC1(C#N)CCCCC1)CC2 ZINC000590759902 468330617 /nfs/dbraw/zinc/33/06/17/468330617.db2.gz LRPASGBMWGNWFK-UHFFFAOYSA-N 1 2 327.428 2.396 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000017291435 462997131 /nfs/dbraw/zinc/99/71/31/462997131.db2.gz VBRRSAUMGAOCGF-LLVKDONJSA-N 1 2 332.429 2.301 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000017291435 462997135 /nfs/dbraw/zinc/99/71/35/462997135.db2.gz VBRRSAUMGAOCGF-LLVKDONJSA-N 1 2 332.429 2.301 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ncccc1C(F)(F)F ZINC000156418460 463022091 /nfs/dbraw/zinc/02/20/91/463022091.db2.gz RKSNKRPKHWBRNZ-UHFFFAOYSA-N 1 2 342.365 2.148 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(Cl)cc1 ZINC000078385445 463112551 /nfs/dbraw/zinc/11/25/51/463112551.db2.gz WOFTZHNPXYRNAK-UHFFFAOYSA-N 1 2 336.823 2.420 20 30 EEEDLO COc1ccc(C[N@@H+]2CCO[C@](C)(c3cnn(C)c3)C2)cc1C#N ZINC000135153249 463124158 /nfs/dbraw/zinc/12/41/58/463124158.db2.gz QESRGLIGYZEAKX-SFHVURJKSA-N 1 2 326.400 2.048 20 30 EEEDLO COc1ccc(C[N@H+]2CCO[C@](C)(c3cnn(C)c3)C2)cc1C#N ZINC000135153249 463124161 /nfs/dbraw/zinc/12/41/61/463124161.db2.gz QESRGLIGYZEAKX-SFHVURJKSA-N 1 2 326.400 2.048 20 30 EEEDLO C=C(C)COc1cc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)ccc1OC ZINC000157660834 463154683 /nfs/dbraw/zinc/15/46/83/463154683.db2.gz WVARUNQCOGHCHT-HNNXBMFYSA-N 1 2 339.457 2.269 20 30 EEEDLO C=C(C)COc1cc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)ccc1OC ZINC000157660834 463154687 /nfs/dbraw/zinc/15/46/87/463154687.db2.gz WVARUNQCOGHCHT-HNNXBMFYSA-N 1 2 339.457 2.269 20 30 EEEDLO C#C[C@@H]1COCC[N@H+]1Cn1ccc(=O)c2cccc(Br)c21 ZINC000491298604 468345012 /nfs/dbraw/zinc/34/50/12/468345012.db2.gz WFFIEZAVYQRAFA-GFCCVEGCSA-N 1 2 347.212 2.056 20 30 EEEDLO C#C[C@@H]1COCC[N@@H+]1Cn1ccc(=O)c2cccc(Br)c21 ZINC000491298604 468345014 /nfs/dbraw/zinc/34/50/14/468345014.db2.gz WFFIEZAVYQRAFA-GFCCVEGCSA-N 1 2 347.212 2.056 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1)C1CC1 ZINC000054530182 463240868 /nfs/dbraw/zinc/24/08/68/463240868.db2.gz MVRQDUNEHUGYHH-FQEVSTJZSA-N 1 2 339.439 2.390 20 30 EEEDLO N#CC1CC[NH+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000142013507 463357549 /nfs/dbraw/zinc/35/75/49/463357549.db2.gz VPLKJPZSESPFMU-UHFFFAOYSA-N 1 2 341.333 2.437 20 30 EEEDLO C#CC[NH+]1CCN(CN2C(=O)C3(CCCC3)[C@H]2c2ccccc2)CC1 ZINC000491638614 468361798 /nfs/dbraw/zinc/36/17/98/468361798.db2.gz XUSUMIZIUGJFDX-LJQANCHMSA-N 1 2 337.467 2.339 20 30 EEEDLO C#Cc1cccc(NC(=O)C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000072291112 463501476 /nfs/dbraw/zinc/50/14/76/463501476.db2.gz IRZLVTKTUFVQJO-UHFFFAOYSA-N 1 2 336.395 2.010 20 30 EEEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000151346662 463515663 /nfs/dbraw/zinc/51/56/63/463515663.db2.gz RJFFKVFQYHSJDZ-LPHOPBHVSA-N 1 2 342.395 2.159 20 30 EEEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000151346662 463515669 /nfs/dbraw/zinc/51/56/69/463515669.db2.gz RJFFKVFQYHSJDZ-LPHOPBHVSA-N 1 2 342.395 2.159 20 30 EEEDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC000057908040 463528711 /nfs/dbraw/zinc/52/87/11/463528711.db2.gz ZRWIVSRICYYSGX-LLVKDONJSA-N 1 2 332.360 2.166 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000058397896 463592490 /nfs/dbraw/zinc/59/24/90/463592490.db2.gz MNIGNOINIUDDPK-UHFFFAOYSA-N 1 2 329.444 2.431 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000058397896 463592492 /nfs/dbraw/zinc/59/24/92/463592492.db2.gz MNIGNOINIUDDPK-UHFFFAOYSA-N 1 2 329.444 2.431 20 30 EEEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126499653 463642007 /nfs/dbraw/zinc/64/20/07/463642007.db2.gz FXALBBWOIBJSNF-LLVKDONJSA-N 1 2 328.199 2.086 20 30 EEEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126499653 463642012 /nfs/dbraw/zinc/64/20/12/463642012.db2.gz FXALBBWOIBJSNF-LLVKDONJSA-N 1 2 328.199 2.086 20 30 EEEDLO Cn1cc[nH+]c1[C@H](CC(=O)NCC(F)(F)C(F)F)C(F)(F)F ZINC000553556056 468372635 /nfs/dbraw/zinc/37/26/35/468372635.db2.gz FVVFXVKOOGCDQD-LURJTMIESA-N 1 2 335.223 2.473 20 30 EEEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000178140570 463850723 /nfs/dbraw/zinc/85/07/23/463850723.db2.gz QAEFFPKHMDPQNF-ZENOOKHLSA-N 1 2 333.432 2.416 20 30 EEEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)NCCc2cccs2)cc1 ZINC000178141273 463851039 /nfs/dbraw/zinc/85/10/39/463851039.db2.gz XDBYALSCMGSCEI-GFCCVEGCSA-N 1 2 347.440 2.141 20 30 EEEDLO N#CCc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000269290173 463943756 /nfs/dbraw/zinc/94/37/56/463943756.db2.gz AMIWLJXEDKLMDE-KRWDZBQOSA-N 1 2 328.416 2.081 20 30 EEEDLO CC(C)(C)[C@H](NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1)c1cccs1 ZINC000283759630 463999139 /nfs/dbraw/zinc/99/91/39/463999139.db2.gz ATLYZIGFYYFRMC-SMDDNHRTSA-N 1 2 339.461 2.419 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000287819398 464011072 /nfs/dbraw/zinc/01/10/72/464011072.db2.gz POJCMWPXDHELFO-NSHDSACASA-N 1 2 336.233 2.408 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000287819398 464011074 /nfs/dbraw/zinc/01/10/74/464011074.db2.gz POJCMWPXDHELFO-NSHDSACASA-N 1 2 336.233 2.408 20 30 EEEDLO CSC[C@](C)(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000289974926 464102370 /nfs/dbraw/zinc/10/23/70/464102370.db2.gz RIMKKDVMPGTMJV-HNNXBMFYSA-N 1 2 345.384 2.156 20 30 EEEDLO CC1(C)C[NH+]=C(N2CCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)S1 ZINC000290732773 464130179 /nfs/dbraw/zinc/13/01/79/464130179.db2.gz GFAORPIIEVMGEK-UHFFFAOYSA-N 1 2 345.428 2.470 20 30 EEEDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292152927 464167285 /nfs/dbraw/zinc/16/72/85/464167285.db2.gz KJGXPTUKPUPRNX-KRWDZBQOSA-N 1 2 336.395 2.354 20 30 EEEDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292152927 464167291 /nfs/dbraw/zinc/16/72/91/464167291.db2.gz KJGXPTUKPUPRNX-KRWDZBQOSA-N 1 2 336.395 2.354 20 30 EEEDLO Cc1oc(NC(=O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c(C#N)c1C ZINC000292189438 464168518 /nfs/dbraw/zinc/16/85/18/464168518.db2.gz RIASXPHJNLATTE-HNNXBMFYSA-N 1 2 331.416 2.455 20 30 EEEDLO Cc1oc(NC(=O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)c(C#N)c1C ZINC000292189438 464168525 /nfs/dbraw/zinc/16/85/25/464168525.db2.gz RIASXPHJNLATTE-HNNXBMFYSA-N 1 2 331.416 2.455 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000270831873 464268891 /nfs/dbraw/zinc/26/88/91/464268891.db2.gz CTVVOXFZTZRTOJ-OAHLLOKOSA-N 1 2 334.439 2.156 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000180582814 464341923 /nfs/dbraw/zinc/34/19/23/464341923.db2.gz UVAIKUKYFOLVKL-WBVHZDCISA-N 1 2 341.521 2.238 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(C(C)C)c2)C1=O ZINC000281182029 464363402 /nfs/dbraw/zinc/36/34/02/464363402.db2.gz AYKUGUIWRJKCOV-KRWDZBQOSA-N 1 2 329.444 2.467 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(C(C)C)c2)C1=O ZINC000281182029 464363408 /nfs/dbraw/zinc/36/34/08/464363408.db2.gz AYKUGUIWRJKCOV-KRWDZBQOSA-N 1 2 329.444 2.467 20 30 EEEDLO CC(C)[C@@H](C)NC(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000174572637 464424718 /nfs/dbraw/zinc/42/47/18/464424718.db2.gz FVJQPXCBMBUCMU-AEFFLSMTSA-N 1 2 328.460 2.030 20 30 EEEDLO C#CCCOc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000294799764 464607506 /nfs/dbraw/zinc/60/75/06/464607506.db2.gz BXNHJKXDOJPHNU-SFHVURJKSA-N 1 2 342.439 2.026 20 30 EEEDLO C=C(C)COc1cc(C[NH2+][C@H](C(N)=O)c2ccccn2)ccc1OC ZINC000295025851 464681776 /nfs/dbraw/zinc/68/17/76/464681776.db2.gz CQVNOISDDUQIII-SFHVURJKSA-N 1 2 341.411 2.361 20 30 EEEDLO N#Cc1ccc(CN2CCC[N@@H+](CC(=O)NC3CCCC3)CC2)cc1 ZINC000247694830 464702828 /nfs/dbraw/zinc/70/28/28/464702828.db2.gz ZDTNHIJOBQRJJV-UHFFFAOYSA-N 1 2 340.471 2.125 20 30 EEEDLO N#Cc1ccc(CN2CCC[N@H+](CC(=O)NC3CCCC3)CC2)cc1 ZINC000247694830 464702835 /nfs/dbraw/zinc/70/28/35/464702835.db2.gz ZDTNHIJOBQRJJV-UHFFFAOYSA-N 1 2 340.471 2.125 20 30 EEEDLO C=C(C)COc1cc(C[NH2+]Cc2cc(C(N)=O)no2)ccc1OC ZINC000273366378 464713911 /nfs/dbraw/zinc/71/39/11/464713911.db2.gz DXLJHUPQOAJVRL-UHFFFAOYSA-N 1 2 331.372 2.027 20 30 EEEDLO C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000275632847 464782834 /nfs/dbraw/zinc/78/28/34/464782834.db2.gz CJWJIJNIQFGGOD-NSHDSACASA-N 1 2 339.399 2.007 20 30 EEEDLO N#CCN1CC[NH+]([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000266698052 464791418 /nfs/dbraw/zinc/79/14/18/464791418.db2.gz GIVMFWFEVXFXKP-HXUWFJFHSA-N 1 2 348.450 2.185 20 30 EEEDLO C#CCN(C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)C1CC1 ZINC000275912796 464792485 /nfs/dbraw/zinc/79/24/85/464792485.db2.gz BPKHSOGWTITBJM-UHFFFAOYSA-N 1 2 336.395 2.013 20 30 EEEDLO CC(C)n1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000276165088 464831552 /nfs/dbraw/zinc/83/15/52/464831552.db2.gz UGHDNTSLEZGMKD-UHFFFAOYSA-N 1 2 337.427 2.294 20 30 EEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000266890096 464859133 /nfs/dbraw/zinc/85/91/33/464859133.db2.gz CHZULYTXUJBWGW-HZPDHXFCSA-N 1 2 329.444 2.194 20 30 EEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000266890096 464859141 /nfs/dbraw/zinc/85/91/41/464859141.db2.gz CHZULYTXUJBWGW-HZPDHXFCSA-N 1 2 329.444 2.194 20 30 EEEDLO CC(=O)N1CC[NH+](CCNc2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000267046167 464914220 /nfs/dbraw/zinc/91/42/20/464914220.db2.gz OBLGRSZZLLQXBJ-UHFFFAOYSA-N 1 2 340.349 2.153 20 30 EEEDLO C#CC[N@@H+](CC)Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000267320950 464925840 /nfs/dbraw/zinc/92/58/40/464925840.db2.gz OMGDBYODUUAPOH-UHFFFAOYSA-N 1 2 331.372 2.218 20 30 EEEDLO C#CC[N@H+](CC)Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000267320950 464925850 /nfs/dbraw/zinc/92/58/50/464925850.db2.gz OMGDBYODUUAPOH-UHFFFAOYSA-N 1 2 331.372 2.218 20 30 EEEDLO C=CCC[N@H+](C)CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000276519252 464963533 /nfs/dbraw/zinc/96/35/33/464963533.db2.gz YOWZQBWNCPPFSP-UHFFFAOYSA-N 1 2 332.372 2.129 20 30 EEEDLO C=CCC[N@@H+](C)CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000276519252 464963528 /nfs/dbraw/zinc/96/35/28/464963528.db2.gz YOWZQBWNCPPFSP-UHFFFAOYSA-N 1 2 332.372 2.129 20 30 EEEDLO Cc1noc(C)c1CCNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000329463145 465342651 /nfs/dbraw/zinc/34/26/51/465342651.db2.gz QLACXRWZRCLIRD-UHFFFAOYSA-N 1 2 343.431 2.274 20 30 EEEDLO O=C(CN1CCCC1=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000329905215 465469685 /nfs/dbraw/zinc/46/96/85/465469685.db2.gz ANWLUJCSBPJQHH-STQMWFEESA-N 1 2 339.436 2.239 20 30 EEEDLO O=C(CN1CCCC1=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000329905215 465469690 /nfs/dbraw/zinc/46/96/90/465469690.db2.gz ANWLUJCSBPJQHH-STQMWFEESA-N 1 2 339.436 2.239 20 30 EEEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)NC(=O)c1ccc(OC)cc1 ZINC000298794768 465507357 /nfs/dbraw/zinc/50/73/57/465507357.db2.gz DQKYWGHFHDDQPR-UHFFFAOYSA-N 1 2 342.395 2.275 20 30 EEEDLO C=CC[N@H+](CCc1ccco1)CC(=O)NC(=O)c1ccc(OC)cc1 ZINC000298794768 465507359 /nfs/dbraw/zinc/50/73/59/465507359.db2.gz DQKYWGHFHDDQPR-UHFFFAOYSA-N 1 2 342.395 2.275 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000343659715 465540222 /nfs/dbraw/zinc/54/02/22/465540222.db2.gz DPJLGKVTXQJWDS-LHHMISFZSA-N 1 2 329.444 2.251 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621939 465543136 /nfs/dbraw/zinc/54/31/36/465543136.db2.gz VLORNFLFLGPQBA-AWEZNQCLSA-N 1 2 345.399 2.378 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621939 465543141 /nfs/dbraw/zinc/54/31/41/465543141.db2.gz VLORNFLFLGPQBA-AWEZNQCLSA-N 1 2 345.399 2.378 20 30 EEEDLO Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000579946320 468438832 /nfs/dbraw/zinc/43/88/32/468438832.db2.gz IARQQCZZOQIWTM-UHFFFAOYSA-N 1 2 349.438 2.289 20 30 EEEDLO CCN1CCN(C(=O)NCCOC2CCCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330329335 465614980 /nfs/dbraw/zinc/61/49/80/465614980.db2.gz MLHPTYCZPJFGBD-MRXNPFEDSA-N 1 2 349.479 2.352 20 30 EEEDLO C[C@@H]1CCCC[C@@H]1CNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000330338194 465620476 /nfs/dbraw/zinc/62/04/76/465620476.db2.gz VBZCVFOFCAGNJU-OAGGEKHMSA-N 1 2 333.480 2.449 20 30 EEEDLO CCc1onc(C)c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000330471628 465673282 /nfs/dbraw/zinc/67/32/82/465673282.db2.gz XSJUZCNKUNCUJD-UHFFFAOYSA-N 1 2 338.411 2.375 20 30 EEEDLO CC[C@]1(C)COCC[N@@H+]1CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000330521297 465690931 /nfs/dbraw/zinc/69/09/31/465690931.db2.gz OCTGEUHSXWGWOG-GOSISDBHSA-N 1 2 333.432 2.466 20 30 EEEDLO CC[C@]1(C)COCC[N@H+]1CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000330521297 465690935 /nfs/dbraw/zinc/69/09/35/465690935.db2.gz OCTGEUHSXWGWOG-GOSISDBHSA-N 1 2 333.432 2.466 20 30 EEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366401662 465704906 /nfs/dbraw/zinc/70/49/06/465704906.db2.gz LVWUPTJXCFIOOE-BYNSBNAKSA-N 1 2 345.468 2.047 20 30 EEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366401662 465704912 /nfs/dbraw/zinc/70/49/12/465704912.db2.gz LVWUPTJXCFIOOE-BYNSBNAKSA-N 1 2 345.468 2.047 20 30 EEEDLO COC(=O)CN(CC#N)C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000348797682 465799311 /nfs/dbraw/zinc/79/93/11/465799311.db2.gz KHQLLBYSMQKKDN-UHFFFAOYSA-N 1 2 339.351 2.321 20 30 EEEDLO COC(=O)CN(CC#N)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000348804835 465805974 /nfs/dbraw/zinc/80/59/74/465805974.db2.gz ZBIXYLLHOSPMMN-UHFFFAOYSA-N 1 2 325.324 2.013 20 30 EEEDLO O=C(NCC#Cc1cccc(F)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000338082141 465806135 /nfs/dbraw/zinc/80/61/35/465806135.db2.gz DXBCEFDJHMTRRK-UHFFFAOYSA-N 1 2 338.386 2.104 20 30 EEEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000338246816 465942805 /nfs/dbraw/zinc/94/28/05/465942805.db2.gz WCAWSUZOKUQINS-DGCLKSJQSA-N 1 2 327.222 2.280 20 30 EEEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000338246816 465942816 /nfs/dbraw/zinc/94/28/16/465942816.db2.gz WCAWSUZOKUQINS-DGCLKSJQSA-N 1 2 327.222 2.280 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000361375727 465944873 /nfs/dbraw/zinc/94/48/73/465944873.db2.gz DOHLYXNAKQABIU-AEFFLSMTSA-N 1 2 338.411 2.385 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000361375727 465944880 /nfs/dbraw/zinc/94/48/80/465944880.db2.gz DOHLYXNAKQABIU-AEFFLSMTSA-N 1 2 338.411 2.385 20 30 EEEDLO CC(=O)Nc1ccc(C)c(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1 ZINC000331333631 466035744 /nfs/dbraw/zinc/03/57/44/466035744.db2.gz IFANWAQZEXDBQN-UHFFFAOYSA-N 1 2 333.432 2.369 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000346412179 466095809 /nfs/dbraw/zinc/09/58/09/466095809.db2.gz LFGKXFNTHNJENE-IBGZPJMESA-N 1 2 331.460 2.474 20 30 EEEDLO Cc1csc(=O)n1CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367128415 466147879 /nfs/dbraw/zinc/14/78/79/466147879.db2.gz ANMWNGIEMXCXKI-INIZCTEOSA-N 1 2 329.425 2.163 20 30 EEEDLO Cc1csc(=O)n1CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367128415 466147883 /nfs/dbraw/zinc/14/78/83/466147883.db2.gz ANMWNGIEMXCXKI-INIZCTEOSA-N 1 2 329.425 2.163 20 30 EEEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000357918914 466319406 /nfs/dbraw/zinc/31/94/06/466319406.db2.gz BTAVOHIQULYFJX-KBPBESRZSA-N 1 2 331.416 2.259 20 30 EEEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000357918914 466319411 /nfs/dbraw/zinc/31/94/11/466319411.db2.gz BTAVOHIQULYFJX-KBPBESRZSA-N 1 2 331.416 2.259 20 30 EEEDLO C=CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)OC)[C@@H]2C(=O)OC)c1 ZINC000354034010 466333888 /nfs/dbraw/zinc/33/38/88/466333888.db2.gz OGEHFHYTPDUCOJ-IAGOWNOFSA-N 1 2 347.411 2.178 20 30 EEEDLO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)OC)[C@@H]2C(=O)OC)c1 ZINC000354034010 466333895 /nfs/dbraw/zinc/33/38/95/466333895.db2.gz OGEHFHYTPDUCOJ-IAGOWNOFSA-N 1 2 347.411 2.178 20 30 EEEDLO Cc1cc(NC(=O)C(=O)N(C)CCC#N)ccc1Oc1cc[nH+]cc1 ZINC000338828902 466408061 /nfs/dbraw/zinc/40/80/61/466408061.db2.gz HQVTWNDWEJPVDK-UHFFFAOYSA-N 1 2 338.367 2.493 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000305756780 466450459 /nfs/dbraw/zinc/45/04/59/466450459.db2.gz BEZYJMFZRXGIES-PELKAZGASA-N 1 2 349.740 2.394 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000305756780 466450466 /nfs/dbraw/zinc/45/04/66/466450466.db2.gz BEZYJMFZRXGIES-PELKAZGASA-N 1 2 349.740 2.394 20 30 EEEDLO N#Cc1ccc(CNC(=O)NCCNc2ccc3ccccc3[nH+]2)cc1 ZINC000338937870 466501288 /nfs/dbraw/zinc/50/12/88/466501288.db2.gz HCKGPFPCGYJZPI-UHFFFAOYSA-N 1 2 345.406 3.018 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)c2c(F)cc(C#N)cc2F)CCO1 ZINC000332408584 466541159 /nfs/dbraw/zinc/54/11/59/466541159.db2.gz IRQQPMUTDSGSQB-IAQYHMDHSA-N 1 2 346.337 2.220 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000365012763 466726468 /nfs/dbraw/zinc/72/64/68/466726468.db2.gz AZBFKWMASKVVBZ-IBGZPJMESA-N 1 2 327.472 2.371 20 30 EEEDLO CCOC(=O)c1cnn(C2CCN(c3cc(C)[nH+]cc3C#N)CC2)c1 ZINC000425257424 467090677 /nfs/dbraw/zinc/09/06/77/467090677.db2.gz CNSLUYUKPQNDOQ-UHFFFAOYSA-N 1 2 339.399 2.476 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000425481796 467097647 /nfs/dbraw/zinc/09/76/47/467097647.db2.gz GHWMQHUQUGIPQJ-NEPJUHHUSA-N 1 2 339.461 2.393 20 30 EEEDLO Cc1nc(C(C)C)oc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000428225309 467214340 /nfs/dbraw/zinc/21/43/40/467214340.db2.gz SATVIOVNTCELTF-CYBMUJFWSA-N 1 2 340.431 2.479 20 30 EEEDLO Cc1nc(C(C)C)oc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000428225309 467214346 /nfs/dbraw/zinc/21/43/46/467214346.db2.gz SATVIOVNTCELTF-CYBMUJFWSA-N 1 2 340.431 2.479 20 30 EEEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433323539 467317184 /nfs/dbraw/zinc/31/71/84/467317184.db2.gz WZJHVUNXKDPTBT-OAHLLOKOSA-N 1 2 344.459 2.228 20 30 EEEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433323539 467317189 /nfs/dbraw/zinc/31/71/89/467317189.db2.gz WZJHVUNXKDPTBT-OAHLLOKOSA-N 1 2 344.459 2.228 20 30 EEEDLO Cc1cc(F)cc(Br)c1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414127150 467380385 /nfs/dbraw/zinc/38/03/85/467380385.db2.gz PRUFEDLMGXGYRE-GFCCVEGCSA-N 1 2 345.212 2.482 20 30 EEEDLO Cc1cc(F)cc(Br)c1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414127150 467380389 /nfs/dbraw/zinc/38/03/89/467380389.db2.gz PRUFEDLMGXGYRE-GFCCVEGCSA-N 1 2 345.212 2.482 20 30 EEEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000408042791 467499372 /nfs/dbraw/zinc/49/93/72/467499372.db2.gz SWKUPHQMMUZNRY-NEPJUHHUSA-N 1 2 341.864 2.315 20 30 EEEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000408042791 467499373 /nfs/dbraw/zinc/49/93/73/467499373.db2.gz SWKUPHQMMUZNRY-NEPJUHHUSA-N 1 2 341.864 2.315 20 30 EEEDLO COCCN(CC#N)Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000453603696 467501892 /nfs/dbraw/zinc/50/18/92/467501892.db2.gz YKHIDMDEDYQQTA-UHFFFAOYSA-N 1 2 337.221 2.377 20 30 EEEDLO C=CCOc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000453971749 467559776 /nfs/dbraw/zinc/55/97/76/467559776.db2.gz JIVPYTXOQUYTPP-DOMZBBRYSA-N 1 2 340.383 2.209 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)C=Cc3c[nH]c[nH+]3)C2)c(F)c1 ZINC000492896989 467787951 /nfs/dbraw/zinc/78/79/51/467787951.db2.gz JSXYDSTUWKXOAG-VOKGJARPSA-N 1 2 339.374 2.219 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1ccc(Br)s1 ZINC000493016891 467820312 /nfs/dbraw/zinc/82/03/12/467820312.db2.gz IHRFLQUKNFKWNR-VGVVRCBHSA-N 1 2 342.262 2.484 20 30 EEEDLO Cc1c(C#N)c(N2CC[NH+](Cc3cnn(C)c3)CC2)nc2ccccc12 ZINC000450316522 467824076 /nfs/dbraw/zinc/82/40/76/467824076.db2.gz HLJQCGPWAUQXOJ-UHFFFAOYSA-N 1 2 346.438 2.471 20 30 EEEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000497155955 467862197 /nfs/dbraw/zinc/86/21/97/467862197.db2.gz UDBIFUFSLAYYJO-CQSZACIVSA-N 1 2 332.360 2.129 20 30 EEEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000497155955 467862200 /nfs/dbraw/zinc/86/22/00/467862200.db2.gz UDBIFUFSLAYYJO-CQSZACIVSA-N 1 2 332.360 2.129 20 30 EEEDLO C=CC[N@H+](C[C@H]1COCCO1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000450807417 467912097 /nfs/dbraw/zinc/91/20/97/467912097.db2.gz GFDYXACAHMFHOU-ZWKOTPCHSA-N 1 2 333.428 2.064 20 30 EEEDLO C=CC[N@@H+](C[C@H]1COCCO1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000450807417 467912100 /nfs/dbraw/zinc/91/21/00/467912100.db2.gz GFDYXACAHMFHOU-ZWKOTPCHSA-N 1 2 333.428 2.064 20 30 EEEDLO C[C@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2C#N)c2[nH+]ccn21 ZINC000517072157 468070074 /nfs/dbraw/zinc/07/00/74/468070074.db2.gz JIUWIDDERQUSPY-CABZTGNLSA-N 1 2 336.804 2.392 20 30 EEEDLO CCCCOc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1OC ZINC000517650749 468091919 /nfs/dbraw/zinc/09/19/19/468091919.db2.gz QKGKSDNBFCLJAE-SFHVURJKSA-N 1 2 333.432 2.448 20 30 EEEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OC[C@H]2CCOC2)cc1 ZINC000496245330 468121682 /nfs/dbraw/zinc/12/16/82/468121682.db2.gz ODFJIGVICNLORK-AWEZNQCLSA-N 1 2 349.431 2.385 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(C#N)n1)c1ccccc1F ZINC000589272581 468139237 /nfs/dbraw/zinc/13/92/37/468139237.db2.gz VLUHHCJFQPHDJW-INIZCTEOSA-N 1 2 335.342 2.345 20 30 EEEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1-c1c(F)cccc1F ZINC000576588362 468169201 /nfs/dbraw/zinc/16/92/01/468169201.db2.gz SVFBDKHTXUWADX-KRWDZBQOSA-N 1 2 347.369 2.033 20 30 EEEDLO N#CCCCC(=O)N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000589844633 468189526 /nfs/dbraw/zinc/18/95/26/468189526.db2.gz DEHFNJIPPVMVEQ-INIZCTEOSA-N 1 2 335.835 2.211 20 30 EEEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC(C#N)C2)C[C@@H](C)O1 ZINC000590106247 468215108 /nfs/dbraw/zinc/21/51/08/468215108.db2.gz JBEPKJOFSINKKL-ZIAGYGMSSA-N 1 2 328.416 2.283 20 30 EEEDLO C#CCN(CC#CC)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000490698211 468237243 /nfs/dbraw/zinc/23/72/43/468237243.db2.gz MUFCOPLOQLGRDB-UHFFFAOYSA-N 1 2 334.423 2.142 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cnc(-c2ccccn2)s1 ZINC000490875659 468260663 /nfs/dbraw/zinc/26/06/63/468260663.db2.gz QYDYJAHSBZOBCM-ZDUSSCGKSA-N 1 2 327.409 2.460 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cnc(-c2ccccn2)s1 ZINC000490875659 468260666 /nfs/dbraw/zinc/26/06/66/468260666.db2.gz QYDYJAHSBZOBCM-ZDUSSCGKSA-N 1 2 327.409 2.460 20 30 EEEDLO CC(C)(C#N)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000591759342 468516001 /nfs/dbraw/zinc/51/60/01/468516001.db2.gz IFJMPGCDJJBLGL-UHFFFAOYSA-N 1 2 345.262 2.362 20 30 EEEDLO Cc1nn(-c2ccccc2Cl)cc1C[NH+]1CCN(CC#N)CC1 ZINC000594602990 468633112 /nfs/dbraw/zinc/63/31/12/468633112.db2.gz QRABIZVAHQDFFP-UHFFFAOYSA-N 1 2 329.835 2.475 20 30 EEEDLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148465 468638413 /nfs/dbraw/zinc/63/84/13/468638413.db2.gz YSVJWJOQFDOMGB-KUHUBIRLSA-N 1 2 329.444 2.489 20 30 EEEDLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148465 468638416 /nfs/dbraw/zinc/63/84/16/468638416.db2.gz YSVJWJOQFDOMGB-KUHUBIRLSA-N 1 2 329.444 2.489 20 30 EEEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597710439 468647269 /nfs/dbraw/zinc/64/72/69/468647269.db2.gz UNOUNRQXDXMPTQ-VQIMIIECSA-N 1 2 341.455 2.060 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CC1(C#N)CCCCC1)C(C)(C)CO ZINC000597848143 468692381 /nfs/dbraw/zinc/69/23/81/468692381.db2.gz UULPUVHFEXXBEU-OAHLLOKOSA-N 1 2 332.448 2.460 20 30 EEEDLO C[C@H](C#N)N(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000598138606 468776365 /nfs/dbraw/zinc/77/63/65/468776365.db2.gz ZAMGBTJKDRHDIZ-LLVKDONJSA-N 1 2 325.328 2.297 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)Cc1[nH]cc[nH+]1 ZINC000595401699 468840634 /nfs/dbraw/zinc/84/06/34/468840634.db2.gz MRTXBPHUPBCZNI-ZDUSSCGKSA-N 1 2 329.379 2.316 20 30 EEEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000584334530 468846443 /nfs/dbraw/zinc/84/64/43/468846443.db2.gz BPLRWHRLBFIXKB-UHFFFAOYSA-N 1 2 336.399 2.319 20 30 EEEDLO COc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(Br)c1 ZINC000593154259 468888641 /nfs/dbraw/zinc/88/86/41/468888641.db2.gz BFBNYVXHVZMVKR-CQSZACIVSA-N 1 2 340.221 2.031 20 30 EEEDLO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000562374000 468945163 /nfs/dbraw/zinc/94/51/63/468945163.db2.gz BURMLEAJNWSHJP-AWEZNQCLSA-N 1 2 326.400 2.387 20 30 EEEDLO C[C@@H](C#N)[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000595712175 468965626 /nfs/dbraw/zinc/96/56/26/468965626.db2.gz HLIRYXMQZGMFCG-NSHDSACASA-N 1 2 330.344 2.269 20 30 EEEDLO C[C@@H](C#N)[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000595712175 468965630 /nfs/dbraw/zinc/96/56/30/468965630.db2.gz HLIRYXMQZGMFCG-NSHDSACASA-N 1 2 330.344 2.269 20 30 EEEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598947252 469062706 /nfs/dbraw/zinc/06/27/06/469062706.db2.gz LBEWNOICJYXGPU-MAUKXSAKSA-N 1 2 338.411 2.289 20 30 EEEDLO CN(C(=O)C[N@@H+]1CCO[C@@H](C(F)F)CC1)C1(C#N)CCCCC1 ZINC000601978038 469124894 /nfs/dbraw/zinc/12/48/94/469124894.db2.gz WROVDHRZVSHFKU-CYBMUJFWSA-N 1 2 329.391 2.027 20 30 EEEDLO CN(C(=O)C[N@H+]1CCO[C@@H](C(F)F)CC1)C1(C#N)CCCCC1 ZINC000601978038 469124900 /nfs/dbraw/zinc/12/49/00/469124900.db2.gz WROVDHRZVSHFKU-CYBMUJFWSA-N 1 2 329.391 2.027 20 30 EEEDLO N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000611233366 469201670 /nfs/dbraw/zinc/20/16/70/469201670.db2.gz WRBAMAKWVXUWMF-OAHLLOKOSA-N 1 2 348.403 2.061 20 30 EEEDLO CCOC(=O)c1ccc(N2CCC[N@H+](CC3(C#N)CC3)CC2)nc1 ZINC000611430649 469248486 /nfs/dbraw/zinc/24/84/86/469248486.db2.gz VYWYMHAYEHDEMQ-UHFFFAOYSA-N 1 2 328.416 2.074 20 30 EEEDLO CCOC(=O)c1ccc(N2CCC[N@@H+](CC3(C#N)CC3)CC2)nc1 ZINC000611430649 469248492 /nfs/dbraw/zinc/24/84/92/469248492.db2.gz VYWYMHAYEHDEMQ-UHFFFAOYSA-N 1 2 328.416 2.074 20 30 EEEDLO CC[NH+]1CCN(C(=O)[C@@H](C)SCCc2ccc(C#N)cc2)CC1 ZINC000596383368 469254586 /nfs/dbraw/zinc/25/45/86/469254586.db2.gz DJGSSCMADUBSBI-OAHLLOKOSA-N 1 2 331.485 2.387 20 30 EEEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1Cc1ccc(F)c(C#N)c1 ZINC000599446070 469261573 /nfs/dbraw/zinc/26/15/73/469261573.db2.gz YVTUIZUWBLGGEB-GOSISDBHSA-N 1 2 336.374 2.302 20 30 EEEDLO C[NH+](C)[C@H](CNC(=O)N1CC[C@](F)(C#N)C1)c1c(F)cccc1F ZINC000615547192 469263107 /nfs/dbraw/zinc/26/31/07/469263107.db2.gz XMQSYVIMTDREAR-CJNGLKHVSA-N 1 2 340.349 2.215 20 30 EEEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000611566529 469281990 /nfs/dbraw/zinc/28/19/90/469281990.db2.gz SEVFPARDAMHWRV-HOCLYGCPSA-N 1 2 328.416 2.333 20 30 EEEDLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H](CCC#N)c2ccccc2)[C@H](C)CO1 ZINC000596503567 469286101 /nfs/dbraw/zinc/28/61/01/469286101.db2.gz NAPCCZUKVAILQN-NUJGCVRESA-N 1 2 344.459 2.440 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](CCC#N)c2ccccc2)[C@H](C)CO1 ZINC000596503567 469286106 /nfs/dbraw/zinc/28/61/06/469286106.db2.gz NAPCCZUKVAILQN-NUJGCVRESA-N 1 2 344.459 2.440 20 30 EEEDLO COc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc1Br ZINC000602331626 469286234 /nfs/dbraw/zinc/28/62/34/469286234.db2.gz GMRDYCYAPWCAPL-CQSZACIVSA-N 1 2 340.221 2.031 20 30 EEEDLO C=CCCC(C)(C)CNC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000602393428 469302383 /nfs/dbraw/zinc/30/23/83/469302383.db2.gz YMTLUAFESJUAFQ-KRWDZBQOSA-N 1 2 336.524 2.400 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C(=O)OC(C)C)cc2)nn1 ZINC000603247149 469323510 /nfs/dbraw/zinc/32/35/10/469323510.db2.gz RCNVDMPFUJOROG-UHFFFAOYSA-N 1 2 326.400 2.005 20 30 EEEDLO C[C@@]1(C#N)CCCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000612367035 469447861 /nfs/dbraw/zinc/44/78/61/469447861.db2.gz ACHSEPJGIIMFJW-IBGZPJMESA-N 1 2 327.428 2.285 20 30 EEEDLO CCNC(=O)COc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1OC ZINC000612407119 469456770 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CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)nn1 ZINC000640910803 471114170 /nfs/dbraw/zinc/11/41/70/471114170.db2.gz BBKWBWYHRXDKLI-HOTGVXAUSA-N 1 2 339.443 2.138 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(c3ccccc3Cl)C2=O)nn1 ZINC000641039792 471174622 /nfs/dbraw/zinc/17/46/22/471174622.db2.gz QTQJMLFNSMCCAF-INIZCTEOSA-N 1 2 343.818 2.022 20 30 EEEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1C[C@H]2CCC[C@@H]2C1 ZINC000669355917 471466914 /nfs/dbraw/zinc/46/69/14/471466914.db2.gz RPRZHQTZVJFBSO-HZMVEIRTSA-N 1 2 345.491 2.482 20 30 EEEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1C[C@H]2CCC[C@@H]2C1 ZINC000669355917 471466915 /nfs/dbraw/zinc/46/69/15/471466915.db2.gz RPRZHQTZVJFBSO-HZMVEIRTSA-N 1 2 345.491 2.482 20 30 EEEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2cnc[nH]2)c(OC)c1 ZINC000661084506 471616032 /nfs/dbraw/zinc/61/60/32/471616032.db2.gz NZWWUZXJAYKRSV-INIZCTEOSA-N 1 2 331.416 2.019 20 30 EEEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2cnc[nH]2)c(OC)c1 ZINC000661084506 471616037 /nfs/dbraw/zinc/61/60/37/471616037.db2.gz NZWWUZXJAYKRSV-INIZCTEOSA-N 1 2 331.416 2.019 20 30 EEEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2c[nH]cn2)c(OC)c1 ZINC000661084506 471616041 /nfs/dbraw/zinc/61/60/41/471616041.db2.gz NZWWUZXJAYKRSV-INIZCTEOSA-N 1 2 331.416 2.019 20 30 EEEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2c[nH]cn2)c(OC)c1 ZINC000661084506 471616048 /nfs/dbraw/zinc/61/60/48/471616048.db2.gz NZWWUZXJAYKRSV-INIZCTEOSA-N 1 2 331.416 2.019 20 30 EEEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000661376963 471733366 /nfs/dbraw/zinc/73/33/66/471733366.db2.gz IEVAPVDYVLTBOU-UHFFFAOYSA-N 1 2 328.243 2.418 20 30 EEEDLO C=C[C@](C)(O)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000665615056 472111904 /nfs/dbraw/zinc/11/19/04/472111904.db2.gz ZGFWUQROOORMOK-INIZCTEOSA-N 1 2 342.361 2.287 20 30 EEEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCn1cc[nH+]c1 ZINC000673734419 485512703 /nfs/dbraw/zinc/51/27/03/485512703.db2.gz BWGHAPMFKSVERQ-UHFFFAOYSA-N 1 2 337.383 2.064 20 30 EEEDLO C=CCCCCCN(C)C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673282067 486306099 /nfs/dbraw/zinc/30/60/99/486306099.db2.gz LMBCEPYREOYKAW-GOSISDBHSA-N 1 2 343.471 2.494 20 30 EEEDLO C=CCCCCCN(C)C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673282067 486306104 /nfs/dbraw/zinc/30/61/04/486306104.db2.gz LMBCEPYREOYKAW-GOSISDBHSA-N 1 2 343.471 2.494 20 30 EEEDLO C[C@@H]1CCN(C(=O)Cc2cccc(OCC#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000089852209 533953781 /nfs/dbraw/zinc/95/37/81/533953781.db2.gz YOFABXBNBKKIRL-CRAIPNDOSA-N 1 2 338.411 2.438 20 30 EEEDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(C#N)c(F)c3)[nH+]cn2)C1 ZINC000413311470 518178649 /nfs/dbraw/zinc/17/86/49/518178649.db2.gz DPOXSRUPLRTKJO-IUODEOHRSA-N 1 2 341.390 2.307 20 30 EEEDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(C#N)c(F)c3)nc[nH+]2)C1 ZINC000413311470 518178650 /nfs/dbraw/zinc/17/86/50/518178650.db2.gz DPOXSRUPLRTKJO-IUODEOHRSA-N 1 2 341.390 2.307 20 30 EEEDLO N#CCSCC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000110979589 534703605 /nfs/dbraw/zinc/70/36/05/534703605.db2.gz BRQMJDVEYRDKCI-LBPRGKRZSA-N 1 2 339.411 2.302 20 30 EEEDLO N#CCSCC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000110979589 534703606 /nfs/dbraw/zinc/70/36/06/534703606.db2.gz BRQMJDVEYRDKCI-LBPRGKRZSA-N 1 2 339.411 2.302 20 30 EEEDLO C=CC[N@H+](Cc1c[nH]nc1-c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000092361176 526332480 /nfs/dbraw/zinc/33/24/80/526332480.db2.gz AQSLTMIOVXCQQZ-ZDUSSCGKSA-N 1 2 337.470 2.313 20 30 EEEDLO C=CC[N@@H+](Cc1c[nH]nc1-c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000092361176 526332481 /nfs/dbraw/zinc/33/24/81/526332481.db2.gz AQSLTMIOVXCQQZ-ZDUSSCGKSA-N 1 2 337.470 2.313 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000111858398 526943984 /nfs/dbraw/zinc/94/39/84/526943984.db2.gz GUKVYVMDHGOMEF-JKSUJKDBSA-N 1 2 347.459 2.160 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000171533532 528380241 /nfs/dbraw/zinc/38/02/41/528380241.db2.gz MLFSMMSRNACJER-UONOGXRCSA-N 1 2 346.431 2.188 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000426202073 536883820 /nfs/dbraw/zinc/88/38/20/536883820.db2.gz RPBRESCSMUYLLU-OAHLLOKOSA-N 1 2 345.443 2.134 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000426202073 536883822 /nfs/dbraw/zinc/88/38/22/536883822.db2.gz RPBRESCSMUYLLU-OAHLLOKOSA-N 1 2 345.443 2.134 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)cn1 ZINC000728802648 576530418 /nfs/dbraw/zinc/53/04/18/576530418.db2.gz CGTYFRQGZHJVEY-QGZVFWFLSA-N 1 2 334.354 2.455 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000732066885 577145456 /nfs/dbraw/zinc/14/54/56/577145456.db2.gz KDVWKVXPZJUEMJ-KRWDZBQOSA-N 1 2 348.406 2.370 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000732066885 577145458 /nfs/dbraw/zinc/14/54/58/577145458.db2.gz KDVWKVXPZJUEMJ-KRWDZBQOSA-N 1 2 348.406 2.370 20 30 EEEDLO CCC[N@H+](CC(=O)NCCC#N)CC(=O)Nc1ccc(Cl)cc1 ZINC000732807972 577193255 /nfs/dbraw/zinc/19/32/55/577193255.db2.gz AHBKMXVIUJHXHL-UHFFFAOYSA-N 1 2 336.823 2.020 20 30 EEEDLO CCC[N@@H+](CC(=O)NCCC#N)CC(=O)Nc1ccc(Cl)cc1 ZINC000732807972 577193256 /nfs/dbraw/zinc/19/32/56/577193256.db2.gz AHBKMXVIUJHXHL-UHFFFAOYSA-N 1 2 336.823 2.020 20 30 EEEDLO Cc1cccc2[nH]c([C@H](C#N)C(=O)C[N@@H+](C)[C@H]3CCSC3)nc21 ZINC000774106179 577383792 /nfs/dbraw/zinc/38/37/92/577383792.db2.gz VZJARJCPQJUGFZ-QWHCGFSZSA-N 1 2 328.441 2.485 20 30 EEEDLO Cc1cccc2[nH]c([C@H](C#N)C(=O)C[N@H+](C)[C@H]3CCSC3)nc21 ZINC000774106179 577383795 /nfs/dbraw/zinc/38/37/95/577383795.db2.gz VZJARJCPQJUGFZ-QWHCGFSZSA-N 1 2 328.441 2.485 20 30 EEEDLO C[C@@H](C(=O)OCCCOc1cccc(C#N)c1)[NH+]1CCSCC1 ZINC000774985895 577425429 /nfs/dbraw/zinc/42/54/29/577425429.db2.gz DZHMJQLBGGXDDL-AWEZNQCLSA-N 1 2 334.441 2.308 20 30 EEEDLO C=CCN(C(=O)C(=O)NCCCn1c(C)[nH+]c2ccccc21)C(C)C ZINC000775100099 577429791 /nfs/dbraw/zinc/42/97/91/577429791.db2.gz RLWIZWNPPLCXEW-UHFFFAOYSA-N 1 2 342.443 2.274 20 30 EEEDLO C#CCOc1cccc(-c2noc(-c3ccc(-n4cc[nH+]c4)nn3)n2)c1 ZINC000761782996 577689305 /nfs/dbraw/zinc/68/93/05/577689305.db2.gz KBSPMUUVBUPAJM-UHFFFAOYSA-N 1 2 344.334 2.391 20 30 EEEDLO CCC1(C)CCC(=NNC(=S)NCC[NH+]2CCOCC2)CC1 ZINC000751517188 577754656 /nfs/dbraw/zinc/75/46/56/577754656.db2.gz VNJLKFMBABFMLV-UHFFFAOYSA-N 1 2 326.510 2.129 20 30 EEEDLO C#CCOCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000753384737 577786406 /nfs/dbraw/zinc/78/64/06/577786406.db2.gz RQBRMJHMAFTSKI-MSOLQXFVSA-N 1 2 338.411 2.061 20 30 EEEDLO COC(=O)c1cccc(CO[NH+]=C(N)COc2ccccc2)c1C#N ZINC000755813622 577832222 /nfs/dbraw/zinc/83/22/22/577832222.db2.gz FBVIASGGWDNXOA-UHFFFAOYSA-N 1 2 339.351 2.422 20 30 EEEDLO CCc1ccc(N2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000744422316 577897581 /nfs/dbraw/zinc/89/75/81/577897581.db2.gz APTQCRBKXVMBBU-HXUWFJFHSA-N 1 2 348.450 2.469 20 30 EEEDLO C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000750503483 577993398 /nfs/dbraw/zinc/99/33/98/577993398.db2.gz LHPGPQWPPMUVSG-BBRMVZONSA-N 1 2 334.391 2.024 20 30 EEEDLO C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000750503483 577993399 /nfs/dbraw/zinc/99/33/99/577993399.db2.gz LHPGPQWPPMUVSG-BBRMVZONSA-N 1 2 334.391 2.024 20 30 EEEDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc(CC#N)cc1 ZINC000741146903 578113512 /nfs/dbraw/zinc/11/35/12/578113512.db2.gz FALYDHBQIDYFQJ-INIZCTEOSA-N 1 2 329.400 2.109 20 30 EEEDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc(CC#N)cc1 ZINC000741146903 578113513 /nfs/dbraw/zinc/11/35/13/578113513.db2.gz FALYDHBQIDYFQJ-INIZCTEOSA-N 1 2 329.400 2.109 20 30 EEEDLO C=CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000833376776 605299693 /nfs/dbraw/zinc/29/96/93/605299693.db2.gz BPDRJPQSBOKVGY-AWEZNQCLSA-N 1 2 345.443 2.342 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3noc(CCC)n3)C2)cc1 ZINC001020456630 674828629 /nfs/dbraw/zinc/82/86/29/674828629.db2.gz YVMZAYJKGAZBFC-WKILWMFISA-N 1 2 338.411 2.054 20 30 EEEDLO Cc1ncoc1C(=O)N[C@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969456440 675048583 /nfs/dbraw/zinc/04/85/83/675048583.db2.gz MIQUXQIWVWWTPI-LLVKDONJSA-N 1 2 342.374 2.244 20 30 EEEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2ccc(F)cc2F)C1 ZINC000969462355 675058154 /nfs/dbraw/zinc/05/81/54/675058154.db2.gz FQUNJGSFWRQJFS-LLVKDONJSA-N 1 2 344.365 2.415 20 30 EEEDLO C[C@@H](NC(=O)[C@H]1CCCCO1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969483428 675067223 /nfs/dbraw/zinc/06/72/23/675067223.db2.gz NYFYAXVGMOJKFR-FZKQIMNGSA-N 1 2 345.418 2.203 20 30 EEEDLO Cc1nc(C[NH+]2CC([C@H](C)NC(=O)c3c[nH]c(C#N)c3)C2)c(C)s1 ZINC000969526750 675089361 /nfs/dbraw/zinc/08/93/61/675089361.db2.gz OVMXYIAYKNEEFN-JTQLQIEISA-N 1 2 343.456 2.210 20 30 EEEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969526243 675092361 /nfs/dbraw/zinc/09/23/61/675092361.db2.gz LRBGNVDWBLMZIQ-ZDUSSCGKSA-N 1 2 333.395 2.008 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC000969569877 675110294 /nfs/dbraw/zinc/11/02/94/675110294.db2.gz DAVGMHYDZQLZLD-SNVBAGLBSA-N 1 2 328.363 2.300 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ncc(C)s2)C1 ZINC000969693943 675169478 /nfs/dbraw/zinc/16/94/78/675169478.db2.gz YUFRLHNBOIIFGZ-BMFZPTHFSA-N 1 2 349.500 2.369 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ncnc3ccsc32)C1 ZINC000969813192 675222816 /nfs/dbraw/zinc/22/28/16/675222816.db2.gz LNNDNXJUAGZQFT-SNVBAGLBSA-N 1 2 336.848 2.494 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@@H]([NH2+]Cc3ncc(C(C)C)o3)C2)c1 ZINC000969892392 675288432 /nfs/dbraw/zinc/28/84/32/675288432.db2.gz ZDOAOZVFGZEZEU-MRXNPFEDSA-N 1 2 338.411 2.179 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)C(C)(F)F)C1 ZINC000970951015 676264218 /nfs/dbraw/zinc/26/42/18/676264218.db2.gz SZICBEGSKWDBFB-CQSZACIVSA-N 1 2 325.334 2.385 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)C(C)(F)F)C1 ZINC000970951015 676264219 /nfs/dbraw/zinc/26/42/19/676264219.db2.gz SZICBEGSKWDBFB-CQSZACIVSA-N 1 2 325.334 2.385 20 30 EEEDLO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001067568734 676316005 /nfs/dbraw/zinc/31/60/05/676316005.db2.gz QEZIOUVUJHAQBN-HZPDHXFCSA-N 1 2 346.475 2.187 20 30 EEEDLO CCn1c[nH+]c2c1CCN(CCOc1ccc(C#N)cc1OC)C2 ZINC000933259914 676532105 /nfs/dbraw/zinc/53/21/05/676532105.db2.gz UHUDGXSGLBWJFP-UHFFFAOYSA-N 1 2 326.400 2.220 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)c(C)o2)C1 ZINC000971556802 676624089 /nfs/dbraw/zinc/62/40/89/676624089.db2.gz VGPBJQMUMUJXEH-BBWFWOEESA-N 1 2 347.459 2.305 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)c(C)o2)C1 ZINC000971556802 676624090 /nfs/dbraw/zinc/62/40/90/676624090.db2.gz VGPBJQMUMUJXEH-BBWFWOEESA-N 1 2 347.459 2.305 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC000971663506 676725940 /nfs/dbraw/zinc/72/59/40/676725940.db2.gz RBXDTYQWQUDGHF-VIFPVBQESA-N 1 2 336.745 2.327 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC000971663506 676725941 /nfs/dbraw/zinc/72/59/41/676725941.db2.gz RBXDTYQWQUDGHF-VIFPVBQESA-N 1 2 336.745 2.327 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC000972714197 679711123 /nfs/dbraw/zinc/71/11/23/679711123.db2.gz QLTOGQJFHUJLCC-OAHLLOKOSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC000972714197 679711126 /nfs/dbraw/zinc/71/11/26/679711126.db2.gz QLTOGQJFHUJLCC-OAHLLOKOSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2cnc3ccccc3c2O)C1 ZINC000971855207 676893010 /nfs/dbraw/zinc/89/30/10/676893010.db2.gz XYMFKATXLLLANB-ZDUSSCGKSA-N 1 2 345.830 2.427 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2cnc3ccccc3c2O)C1 ZINC000971855207 676893011 /nfs/dbraw/zinc/89/30/11/676893011.db2.gz XYMFKATXLLLANB-ZDUSSCGKSA-N 1 2 345.830 2.427 20 30 EEEDLO CNc1cc(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)nc[nH+]1 ZINC000892174124 678201931 /nfs/dbraw/zinc/20/19/31/678201931.db2.gz WSROBIPDCRJBHG-UHFFFAOYSA-N 1 2 336.399 2.245 20 30 EEEDLO CNc1cc(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[nH+]cn1 ZINC000892174124 678201933 /nfs/dbraw/zinc/20/19/33/678201933.db2.gz WSROBIPDCRJBHG-UHFFFAOYSA-N 1 2 336.399 2.245 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C)c3F)C2)C1 ZINC000972391181 678669382 /nfs/dbraw/zinc/66/93/82/678669382.db2.gz LSOKBSKJWFAGTD-IBGZPJMESA-N 1 2 330.403 2.074 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C)c3F)C2)C1 ZINC000972391181 678669383 /nfs/dbraw/zinc/66/93/83/678669383.db2.gz LSOKBSKJWFAGTD-IBGZPJMESA-N 1 2 330.403 2.074 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccccc3CC)C2)C1 ZINC000972432269 678731870 /nfs/dbraw/zinc/73/18/70/678731870.db2.gz ZKNBLEZUUJVFME-NRFANRHFSA-N 1 2 340.467 2.118 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccccc3CC)C2)C1 ZINC000972432269 678731871 /nfs/dbraw/zinc/73/18/71/678731871.db2.gz ZKNBLEZUUJVFME-NRFANRHFSA-N 1 2 340.467 2.118 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cc4ccccc4o3)C2)C1 ZINC000972490043 678895000 /nfs/dbraw/zinc/89/50/00/678895000.db2.gz SASUDWAYAIAQEX-HXUWFJFHSA-N 1 2 340.423 2.465 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cc4ccccc4o3)C2)C1 ZINC000972490043 678895004 /nfs/dbraw/zinc/89/50/04/678895004.db2.gz SASUDWAYAIAQEX-HXUWFJFHSA-N 1 2 340.423 2.465 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000972518957 679143654 /nfs/dbraw/zinc/14/36/54/679143654.db2.gz WEAYVQPKUVXUDJ-HZSPNIEDSA-N 1 2 327.266 2.474 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000972518957 679143656 /nfs/dbraw/zinc/14/36/56/679143656.db2.gz WEAYVQPKUVXUDJ-HZSPNIEDSA-N 1 2 327.266 2.474 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](CNC(=O)c2ccon2)C1 ZINC001023246086 679202927 /nfs/dbraw/zinc/20/29/27/679202927.db2.gz CHDGJPJJDXDJEI-CYBMUJFWSA-N 1 2 342.374 2.327 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](CNC(=O)c2ccon2)C1 ZINC001023246086 679202929 /nfs/dbraw/zinc/20/29/29/679202929.db2.gz CHDGJPJJDXDJEI-CYBMUJFWSA-N 1 2 342.374 2.327 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC(F)(F)C3)C2)C1 ZINC000972550555 679258272 /nfs/dbraw/zinc/25/82/72/679258272.db2.gz YHPWOXJWTCCPLR-GOEBONIOSA-N 1 2 328.403 2.301 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC(F)(F)C3)C2)C1 ZINC000972550555 679258274 /nfs/dbraw/zinc/25/82/74/679258274.db2.gz YHPWOXJWTCCPLR-GOEBONIOSA-N 1 2 328.403 2.301 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4ccccc4C3)C2)C1 ZINC000972568925 679317898 /nfs/dbraw/zinc/31/78/98/679317898.db2.gz DWDFDDBDYREOKV-TZIWHRDSSA-N 1 2 340.467 2.281 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4ccccc4C3)C2)C1 ZINC000972568925 679317900 /nfs/dbraw/zinc/31/79/00/679317900.db2.gz DWDFDDBDYREOKV-TZIWHRDSSA-N 1 2 340.467 2.281 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccc(C)o3)C2)C1 ZINC000972586314 679364104 /nfs/dbraw/zinc/36/41/04/679364104.db2.gz WGALPTSOEVNYCM-VQIMIIECSA-N 1 2 330.428 2.018 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccc(C)o3)C2)C1 ZINC000972586314 679364107 /nfs/dbraw/zinc/36/41/07/679364107.db2.gz WGALPTSOEVNYCM-VQIMIIECSA-N 1 2 330.428 2.018 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3ccc(CC)cc3)C2)C1 ZINC000972599723 679402629 /nfs/dbraw/zinc/40/26/29/679402629.db2.gz XZPMGTCGRZGAGS-LAUBAEHRSA-N 1 2 340.467 2.289 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3ccc(CC)cc3)C2)C1 ZINC000972599723 679402632 /nfs/dbraw/zinc/40/26/32/679402632.db2.gz XZPMGTCGRZGAGS-LAUBAEHRSA-N 1 2 340.467 2.289 20 30 EEEDLO C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3[nH]nc4ccccc43)C2)C1 ZINC000972663097 679532086 /nfs/dbraw/zinc/53/20/86/679532086.db2.gz YIMLWXFBSCAWLZ-IBGZPJMESA-N 1 2 340.427 2.056 20 30 EEEDLO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3[nH]nc4ccccc43)C2)C1 ZINC000972663097 679532089 /nfs/dbraw/zinc/53/20/89/679532089.db2.gz YIMLWXFBSCAWLZ-IBGZPJMESA-N 1 2 340.427 2.056 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3cccc(Cl)c3)C2)C1 ZINC000972683006 679597179 /nfs/dbraw/zinc/59/71/79/679597179.db2.gz KUKLSGSFQVJDIH-DNVCBOLYSA-N 1 2 346.858 2.380 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3cccc(Cl)c3)C2)C1 ZINC000972683006 679597181 /nfs/dbraw/zinc/59/71/81/679597181.db2.gz KUKLSGSFQVJDIH-DNVCBOLYSA-N 1 2 346.858 2.380 20 30 EEEDLO Cc1conc1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000972684966 679599776 /nfs/dbraw/zinc/59/97/76/679599776.db2.gz SJSSMHBPBBDKFJ-INIZCTEOSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1conc1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000972684966 679599778 /nfs/dbraw/zinc/59/97/78/679599778.db2.gz SJSSMHBPBBDKFJ-INIZCTEOSA-N 1 2 342.374 2.340 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3cccc(F)c3)C2)C1 ZINC000972684741 679599883 /nfs/dbraw/zinc/59/98/83/679599883.db2.gz WPCCWKFKIAAUDC-KXBFYZLASA-N 1 2 332.419 2.419 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3cccc(F)c3)C2)C1 ZINC000972684741 679599884 /nfs/dbraw/zinc/59/98/84/679599884.db2.gz WPCCWKFKIAAUDC-KXBFYZLASA-N 1 2 332.419 2.419 20 30 EEEDLO Cc1cnc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3C#N)CC2(C)C)cn1 ZINC000972776326 679765980 /nfs/dbraw/zinc/76/59/80/679765980.db2.gz MGLUEPUGUSBSNI-SFHVURJKSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1cnc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3C#N)CC2(C)C)cn1 ZINC000972776326 679765982 /nfs/dbraw/zinc/76/59/82/679765982.db2.gz MGLUEPUGUSBSNI-SFHVURJKSA-N 1 2 349.438 2.297 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cncc(F)c2)[nH]1 ZINC001024394642 679888725 /nfs/dbraw/zinc/88/87/25/679888725.db2.gz LGPCBNVMJVSZBE-MRXNPFEDSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cncc(F)c2)[nH]1 ZINC001024394642 679888726 /nfs/dbraw/zinc/88/87/26/679888726.db2.gz LGPCBNVMJVSZBE-MRXNPFEDSA-N 1 2 341.390 2.205 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001024649167 681319745 /nfs/dbraw/zinc/31/97/45/681319745.db2.gz QRIBYIKZJLEAET-ZDUSSCGKSA-N 1 2 339.871 2.370 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001024649167 681319748 /nfs/dbraw/zinc/31/97/48/681319748.db2.gz QRIBYIKZJLEAET-ZDUSSCGKSA-N 1 2 339.871 2.370 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(C)on1 ZINC001024660404 681324164 /nfs/dbraw/zinc/32/41/64/681324164.db2.gz NVYFTDOETZBWLG-ZACQAIPSSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C)on1 ZINC001024660404 681324172 /nfs/dbraw/zinc/32/41/72/681324172.db2.gz NVYFTDOETZBWLG-ZACQAIPSSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@]2(C)C[N@H+](Cc3nncn3C)C[C@]2(C)C1 ZINC000982508273 681394781 /nfs/dbraw/zinc/39/47/81/681394781.db2.gz TWXOAINSLZXKKV-GBESFXJTSA-N 1 2 345.491 2.088 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@]2(C)C[N@@H+](Cc3nncn3C)C[C@]2(C)C1 ZINC000982508273 681394783 /nfs/dbraw/zinc/39/47/83/681394783.db2.gz TWXOAINSLZXKKV-GBESFXJTSA-N 1 2 345.491 2.088 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)c2cc(C)nc3c2cnn3C)CC1 ZINC000982965805 681588595 /nfs/dbraw/zinc/58/85/95/681588595.db2.gz CXFLMGFCHCNBCU-UHFFFAOYSA-N 1 2 347.850 2.177 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)c2cc(C)nc3c2cnn3C)CC1 ZINC000982965805 681588602 /nfs/dbraw/zinc/58/86/02/681588602.db2.gz CXFLMGFCHCNBCU-UHFFFAOYSA-N 1 2 347.850 2.177 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)CC2(C)C)ncn1 ZINC000973052112 681944517 /nfs/dbraw/zinc/94/45/17/681944517.db2.gz OOLANTAFTNSDFS-GOSISDBHSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC2(C)C)ncn1 ZINC000973052112 681944520 /nfs/dbraw/zinc/94/45/20/681944520.db2.gz OOLANTAFTNSDFS-GOSISDBHSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1nn(C)cc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001006932510 681961042 /nfs/dbraw/zinc/96/10/42/681961042.db2.gz KJAWFLMHISNOGC-ZDUSSCGKSA-N 1 2 343.456 2.056 20 30 EEEDLO Cc1nn(C)cc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001006932510 681961048 /nfs/dbraw/zinc/96/10/48/681961048.db2.gz KJAWFLMHISNOGC-ZDUSSCGKSA-N 1 2 343.456 2.056 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cccc2nn[nH]c21 ZINC001025232379 682267058 /nfs/dbraw/zinc/26/70/58/682267058.db2.gz LUOMMAHCTIOFBC-IAGOWNOFSA-N 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/nfs/dbraw/zinc/89/33/72/1195893372.db2.gz GAFVPGXAUKFBES-AWEZNQCLSA-N 1 2 341.415 2.221 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@H+](Cc2cccnc2C)CCO1 ZINC001108118968 1195897751 /nfs/dbraw/zinc/89/77/51/1195897751.db2.gz GOJSJWQCBFTPQU-LJQANCHMSA-N 1 2 331.460 2.309 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@@H+](Cc2cccnc2C)CCO1 ZINC001108118968 1195897754 /nfs/dbraw/zinc/89/77/54/1195897754.db2.gz GOJSJWQCBFTPQU-LJQANCHMSA-N 1 2 331.460 2.309 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccn(CC(F)F)n2)C1 ZINC001034269065 1196021678 /nfs/dbraw/zinc/02/16/78/1196021678.db2.gz SRGUIFCYQAKAJN-GFCCVEGCSA-N 1 2 346.809 2.485 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccn(CC(F)F)n2)C1 ZINC001034269065 1196021679 /nfs/dbraw/zinc/02/16/79/1196021679.db2.gz SRGUIFCYQAKAJN-GFCCVEGCSA-N 1 2 346.809 2.485 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2coc(C)n2)C1 ZINC001034409480 1196180673 /nfs/dbraw/zinc/18/06/73/1196180673.db2.gz UTKSXUTZDNRJLI-OIISXLGYSA-N 1 2 333.432 2.045 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330.388 2.158 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC3(F)F)C2)c(F)c1 ZINC001014889951 1224499102 /nfs/dbraw/zinc/49/91/02/1224499102.db2.gz LIJCOEKSUQBYFZ-KGLIPLIRSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC3(F)F)C2)c(F)c1 ZINC001014889951 1224499107 /nfs/dbraw/zinc/49/91/07/1224499107.db2.gz LIJCOEKSUQBYFZ-KGLIPLIRSA-N 1 2 337.345 2.433 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001132042072 1199227175 /nfs/dbraw/zinc/22/71/75/1199227175.db2.gz PLNFFHTVKKJYHQ-GOEBONIOSA-N 1 2 349.862 2.244 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001132042072 1199227178 /nfs/dbraw/zinc/22/71/78/1199227178.db2.gz PLNFFHTVKKJYHQ-GOEBONIOSA-N 1 2 349.862 2.244 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC=C(Cl)Cl)C1 ZINC001132029383 1199232107 /nfs/dbraw/zinc/23/21/07/1199232107.db2.gz LJYJSEZFPNGKNY-QWHCGFSZSA-N 1 2 333.259 2.314 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC=C(Cl)Cl)C1 ZINC001132029383 1199232110 /nfs/dbraw/zinc/23/21/10/1199232110.db2.gz LJYJSEZFPNGKNY-QWHCGFSZSA-N 1 2 333.259 2.314 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2nc(C)sc2C)C1 ZINC001132030874 1199235188 /nfs/dbraw/zinc/23/51/88/1199235188.db2.gz ZPMZRVDUNJDFDT-BBRMVZONSA-N 1 2 349.500 2.269 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2nc(C)sc2C)C1 ZINC001132030874 1199235191 /nfs/dbraw/zinc/23/51/91/1199235191.db2.gz ZPMZRVDUNJDFDT-BBRMVZONSA-N 1 2 349.500 2.269 20 30 EEEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000875409462 1199240455 /nfs/dbraw/zinc/24/04/55/1199240455.db2.gz ZRXYSXYMFGGNDB-MSOLQXFVSA-N 1 2 344.459 2.441 20 30 EEEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000875409462 1199240460 /nfs/dbraw/zinc/24/04/60/1199240460.db2.gz ZRXYSXYMFGGNDB-MSOLQXFVSA-N 1 2 344.459 2.441 20 30 EEEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2nc(Cl)cs2)CC[C@H]1C ZINC001132238848 1199487353 /nfs/dbraw/zinc/48/73/53/1199487353.db2.gz WAJFELAIJNSIQT-NEPJUHHUSA-N 1 2 341.864 2.029 20 30 EEEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2nc(Cl)cs2)CC[C@H]1C ZINC001132238848 1199487356 /nfs/dbraw/zinc/48/73/56/1199487356.db2.gz WAJFELAIJNSIQT-NEPJUHHUSA-N 1 2 341.864 2.029 20 30 EEEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2nc(Cl)cs2)CC[C@@H]1C ZINC001132238850 1199487456 /nfs/dbraw/zinc/48/74/56/1199487456.db2.gz WAJFELAIJNSIQT-RYUDHWBXSA-N 1 2 341.864 2.029 20 30 EEEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2nc(Cl)cs2)CC[C@@H]1C ZINC001132238850 1199487457 /nfs/dbraw/zinc/48/74/57/1199487457.db2.gz WAJFELAIJNSIQT-RYUDHWBXSA-N 1 2 341.864 2.029 20 30 EEEDLO Cc1cccc(CCCOCCOC(=O)c2cccc(C#N)n2)[nH+]1 ZINC000810583098 1199607214 /nfs/dbraw/zinc/60/72/14/1199607214.db2.gz MWIGPQYUCNCIFG-UHFFFAOYSA-N 1 2 325.368 2.463 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)CCC3CCC3)C2)CC1 ZINC001018367200 1224651186 /nfs/dbraw/zinc/65/11/86/1224651186.db2.gz QBWYNPIDGUCBMU-GOSISDBHSA-N 1 2 347.503 2.136 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2cc(C(=O)OC)ccc2C1 ZINC000880349293 1201467413 /nfs/dbraw/zinc/46/74/13/1201467413.db2.gz CFGPGFKXACEWPC-UHFFFAOYSA-N 1 2 330.428 2.256 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2cc(C(=O)OC)ccc2C1 ZINC000880349293 1201467415 /nfs/dbraw/zinc/46/74/15/1201467415.db2.gz CFGPGFKXACEWPC-UHFFFAOYSA-N 1 2 330.428 2.256 20 30 EEEDLO COc1ccc(C[N@H+](CCO)CC(=O)Nc2sccc2C#N)cc1 ZINC000880571325 1201526052 /nfs/dbraw/zinc/52/60/52/1201526052.db2.gz SGJUBTKDSRCMFF-UHFFFAOYSA-N 1 2 345.424 2.061 20 30 EEEDLO COc1ccc(C[N@@H+](CCO)CC(=O)Nc2sccc2C#N)cc1 ZINC000880571325 1201526058 /nfs/dbraw/zinc/52/60/58/1201526058.db2.gz SGJUBTKDSRCMFF-UHFFFAOYSA-N 1 2 345.424 2.061 20 30 EEEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccccc1SC)C2 ZINC001274198988 1204451455 /nfs/dbraw/zinc/45/14/55/1204451455.db2.gz YWDBQTMZYTWNCF-UHFFFAOYSA-N 1 2 332.469 2.398 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cnc(OCC)c(F)c2)C1=O ZINC001274469909 1205049127 /nfs/dbraw/zinc/04/91/27/1205049127.db2.gz 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N#Cc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccc[nH]4)C[C@H](C2)O3)c(F)c1 ZINC001275956344 1205602292 /nfs/dbraw/zinc/60/22/92/1205602292.db2.gz IDKYWHAYZWBZTR-HDICACEKSA-N 1 2 340.402 2.111 20 30 EEEDLO N#Cc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccc[nH]4)C[C@H](C2)O3)c(F)c1 ZINC001275956344 1205602293 /nfs/dbraw/zinc/60/22/93/1205602293.db2.gz IDKYWHAYZWBZTR-HDICACEKSA-N 1 2 340.402 2.111 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)on2)C[C@@H]1C ZINC000947002208 1206096505 /nfs/dbraw/zinc/09/65/05/1206096505.db2.gz YCFKWSQRYOLHQT-CMPLNLGQSA-N 1 2 342.237 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)on2)C[C@@H]1C ZINC000947002208 1206096508 /nfs/dbraw/zinc/09/65/08/1206096508.db2.gz YCFKWSQRYOLHQT-CMPLNLGQSA-N 1 2 342.237 2.474 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C(C)C ZINC001110924947 1206275084 /nfs/dbraw/zinc/27/50/84/1206275084.db2.gz AAFUIEFHABEHAY-MLHJIOFPSA-N 1 2 347.503 2.062 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C(C)C ZINC001110924947 1206275085 /nfs/dbraw/zinc/27/50/85/1206275085.db2.gz AAFUIEFHABEHAY-MLHJIOFPSA-N 1 2 347.503 2.062 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928644100 1206406333 /nfs/dbraw/zinc/40/63/33/1206406333.db2.gz OQKPMIHALVBJOB-OAHLLOKOSA-N 1 2 348.443 2.101 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(CCC)CCC)C2 ZINC001110953680 1206434281 /nfs/dbraw/zinc/43/42/81/1206434281.db2.gz CZGFNZGEHSIPFW-ZACQAIPSSA-N 1 2 335.492 2.227 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(CCC)CCC)C2 ZINC001110953680 1206434283 /nfs/dbraw/zinc/43/42/83/1206434283.db2.gz CZGFNZGEHSIPFW-ZACQAIPSSA-N 1 2 335.492 2.227 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCCCC)CC1 ZINC001110987748 1206554478 /nfs/dbraw/zinc/55/44/78/1206554478.db2.gz DAONNEJJDNBMJN-ZACQAIPSSA-N 1 2 347.503 2.371 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCCCC)CC1 ZINC001110987748 1206554479 /nfs/dbraw/zinc/55/44/79/1206554479.db2.gz DAONNEJJDNBMJN-ZACQAIPSSA-N 1 2 347.503 2.371 20 30 EEEDLO CCOC(=O)[C@@H]1CC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000932643902 1207643267 /nfs/dbraw/zinc/64/32/67/1207643267.db2.gz FBQNWKOQNBARTR-OAHLLOKOSA-N 1 2 338.411 2.437 20 30 EEEDLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000932643902 1207643272 /nfs/dbraw/zinc/64/32/72/1207643272.db2.gz FBQNWKOQNBARTR-OAHLLOKOSA-N 1 2 338.411 2.437 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cnns2)C[C@@H]1C ZINC000947094136 1207725679 /nfs/dbraw/zinc/72/56/79/1207725679.db2.gz IQVHTGIKVGUJBM-UWVGGRQHSA-N 1 2 345.266 2.029 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cnns2)C[C@@H]1C ZINC000947094136 1207725682 /nfs/dbraw/zinc/72/56/82/1207725682.db2.gz IQVHTGIKVGUJBM-UWVGGRQHSA-N 1 2 345.266 2.029 20 30 EEEDLO C[N@H+](Cc1cccc(=O)[nH]1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000933399148 1207766225 /nfs/dbraw/zinc/76/62/25/1207766225.db2.gz RPSLCDUNVPFRQJ-QGZVFWFLSA-N 1 2 336.395 2.286 20 30 EEEDLO C[N@@H+](Cc1cccc(=O)[nH]1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000933399148 1207766228 /nfs/dbraw/zinc/76/62/28/1207766228.db2.gz RPSLCDUNVPFRQJ-QGZVFWFLSA-N 1 2 336.395 2.286 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(OC)n1 ZINC001111072617 1207941987 /nfs/dbraw/zinc/94/19/87/1207941987.db2.gz OTTATIXRPYYTLK-OAGGEKHMSA-N 1 2 344.459 2.309 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(OC)n1 ZINC001111072617 1207941989 /nfs/dbraw/zinc/94/19/89/1207941989.db2.gz OTTATIXRPYYTLK-OAGGEKHMSA-N 1 2 344.459 2.309 20 30 EEEDLO C=CCCCC(=O)N1C[C@H](C)[C@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001111256336 1208481766 /nfs/dbraw/zinc/48/17/66/1208481766.db2.gz BNETWKJYGQSOJH-DZGCQCFKSA-N 1 2 346.479 2.109 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(C)o3)[C@@H](C)C2)cc1 ZINC000947612713 1208644991 /nfs/dbraw/zinc/64/49/91/1208644991.db2.gz XMEAUAKWMSXLHY-SUMWQHHRSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(C)o3)[C@@H](C)C2)cc1 ZINC000947612713 1208644993 /nfs/dbraw/zinc/64/49/93/1208644993.db2.gz XMEAUAKWMSXLHY-SUMWQHHRSA-N 1 2 338.411 2.142 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3nncn3C)[C@H](C)C2)CC1 ZINC000947690048 1208674690 /nfs/dbraw/zinc/67/46/90/1208674690.db2.gz PWPBSUDHQWQQCC-GDBMZVCRSA-N 1 2 331.464 2.031 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3nncn3C)[C@H](C)C2)CC1 ZINC000947690048 1208674693 /nfs/dbraw/zinc/67/46/93/1208674693.db2.gz PWPBSUDHQWQQCC-GDBMZVCRSA-N 1 2 331.464 2.031 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2n(n1)CCC2 ZINC000948923941 1209455798 /nfs/dbraw/zinc/45/57/98/1209455798.db2.gz XXIORVAULFORJX-HXUWFJFHSA-N 1 2 348.450 2.182 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2n(n1)CCC2 ZINC000948923941 1209455800 /nfs/dbraw/zinc/45/58/00/1209455800.db2.gz XXIORVAULFORJX-HXUWFJFHSA-N 1 2 348.450 2.182 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccnc(C)n1 ZINC000948986720 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2.078 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2C[N@@H+](Cc3ccn(C)n3)CC[C@@H]2C)CC1 ZINC000968192401 1221117402 /nfs/dbraw/zinc/11/74/02/1221117402.db2.gz RGRRHOOLOIGBFX-YJBOKZPZSA-N 1 2 330.476 2.493 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2C[N@H+](Cc3ccn(C)n3)CC[C@@H]2C)CC1 ZINC000968192401 1221117404 /nfs/dbraw/zinc/11/74/04/1221117404.db2.gz RGRRHOOLOIGBFX-YJBOKZPZSA-N 1 2 330.476 2.493 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3ccc(OC)nn3)CC[C@H]2C)C1 ZINC000968272760 1221168400 /nfs/dbraw/zinc/16/84/00/1221168400.db2.gz GJJGGVAQEFFWCT-ZBFHGGJFSA-N 1 2 344.459 2.168 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3ccc(OC)nn3)CC[C@H]2C)C1 ZINC000968272760 1221168402 /nfs/dbraw/zinc/16/84/02/1221168402.db2.gz GJJGGVAQEFFWCT-ZBFHGGJFSA-N 1 2 344.459 2.168 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnn3c2CCCC3)C1 ZINC000968509713 1221364670 /nfs/dbraw/zinc/36/46/70/1221364670.db2.gz NZGTYXSKSRUBLN-DOMZBBRYSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnn3c2CCCC3)C1 ZINC000968509713 1221364673 /nfs/dbraw/zinc/36/46/73/1221364673.db2.gz NZGTYXSKSRUBLN-DOMZBBRYSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3n[nH]nc3c2)C1 ZINC000968633298 1221450326 /nfs/dbraw/zinc/45/03/26/1221450326.db2.gz WKAMEALGLYWPIE-MEBBXXQBSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3n[nH]nc3c2)C1 ZINC000968633298 1221450327 /nfs/dbraw/zinc/45/03/27/1221450327.db2.gz WKAMEALGLYWPIE-MEBBXXQBSA-N 1 2 333.823 2.151 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)no1 ZINC001006639910 1221875212 /nfs/dbraw/zinc/87/52/12/1221875212.db2.gz BHRAVJWKKDMQCC-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)no1 ZINC001006639910 1221875219 /nfs/dbraw/zinc/87/52/19/1221875219.db2.gz BHRAVJWKKDMQCC-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc[nH]3)C2)cc1F ZINC001006742461 1221918610 /nfs/dbraw/zinc/91/86/10/1221918610.db2.gz NLFCNSMIBZNDNZ-OAHLLOKOSA-N 1 2 326.375 2.420 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc[nH]3)C2)cc1F ZINC001006742461 1221918614 /nfs/dbraw/zinc/91/86/14/1221918614.db2.gz NLFCNSMIBZNDNZ-OAHLLOKOSA-N 1 2 326.375 2.420 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1ccc(F)nc1 ZINC001006919443 1222013926 /nfs/dbraw/zinc/01/39/26/1222013926.db2.gz LELOJZDLLQDJFO-SFHVURJKSA-N 1 2 337.398 2.467 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1ccc(F)nc1 ZINC001006919443 1222013933 /nfs/dbraw/zinc/01/39/33/1222013933.db2.gz LELOJZDLLQDJFO-SFHVURJKSA-N 1 2 337.398 2.467 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)c1C ZINC001006944074 1222026718 /nfs/dbraw/zinc/02/67/18/1222026718.db2.gz GZUTULQPWRDROL-GOSISDBHSA-N 1 2 336.439 2.272 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)c1C ZINC001006944074 1222026722 /nfs/dbraw/zinc/02/67/22/1222026722.db2.gz GZUTULQPWRDROL-GOSISDBHSA-N 1 2 336.439 2.272 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)[nH]1 ZINC001006949505 1222030604 /nfs/dbraw/zinc/03/06/04/1222030604.db2.gz YNTLNQQQBODKJW-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)[nH]1 ZINC001006949505 1222030605 /nfs/dbraw/zinc/03/06/05/1222030605.db2.gz YNTLNQQQBODKJW-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1ncoc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001007012101 1222062071 /nfs/dbraw/zinc/06/20/71/1222062071.db2.gz HUZDBLWYDNFRMD-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ncoc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001007012101 1222062074 /nfs/dbraw/zinc/06/20/74/1222062074.db2.gz HUZDBLWYDNFRMD-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001016113669 1226096915 /nfs/dbraw/zinc/09/69/15/1226096915.db2.gz LFWKNGGITSITBB-SFHVURJKSA-N 1 2 337.423 2.206 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001016113669 1226096919 /nfs/dbraw/zinc/09/69/19/1226096919.db2.gz LFWKNGGITSITBB-SFHVURJKSA-N 1 2 337.423 2.206 20 30 EEEDLO CCn1ccnc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001007234601 1222140643 /nfs/dbraw/zinc/14/06/43/1222140643.db2.gz NPXBIHRRZXLHJH-ZDUSSCGKSA-N 1 2 343.456 2.231 20 30 EEEDLO CCn1ccnc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001007234601 1222140647 /nfs/dbraw/zinc/14/06/47/1222140647.db2.gz NPXBIHRRZXLHJH-ZDUSSCGKSA-N 1 2 343.456 2.231 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001007411912 1222213610 /nfs/dbraw/zinc/21/36/10/1222213610.db2.gz MBGWODPSQPMNGR-LBPRGKRZSA-N 1 2 346.809 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001007411912 1222213613 /nfs/dbraw/zinc/21/36/13/1222213613.db2.gz MBGWODPSQPMNGR-LBPRGKRZSA-N 1 2 346.809 2.462 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCC[C@H](C)C3)C2)C1 ZINC001008464314 1222859727 /nfs/dbraw/zinc/85/97/27/1222859727.db2.gz MMWQHSYUAQSRMS-RDJZCZTQSA-N 1 2 347.503 2.182 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC[C@H](C)C3)C2)C1 ZINC001008464314 1222859731 /nfs/dbraw/zinc/85/97/31/1222859731.db2.gz MMWQHSYUAQSRMS-RDJZCZTQSA-N 1 2 347.503 2.182 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001008857109 1223058352 /nfs/dbraw/zinc/05/83/52/1223058352.db2.gz VPWGJPXLNQVKJD-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001008857109 1223058353 /nfs/dbraw/zinc/05/83/53/1223058353.db2.gz VPWGJPXLNQVKJD-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)CCOC1 ZINC001008986805 1223103917 /nfs/dbraw/zinc/10/39/17/1223103917.db2.gz RNFIXLROUVEJSZ-UYAOXDASSA-N 1 2 344.430 2.184 20 30 EEEDLO C[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)CCOC1 ZINC001008986805 1223103919 /nfs/dbraw/zinc/10/39/19/1223103919.db2.gz RNFIXLROUVEJSZ-UYAOXDASSA-N 1 2 344.430 2.184 20 30 EEEDLO COc1cccc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)n1 ZINC001009054070 1223125272 /nfs/dbraw/zinc/12/52/72/1223125272.db2.gz YRZAOGFWWKKCLD-GOSISDBHSA-N 1 2 349.434 2.336 20 30 EEEDLO COc1cccc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)n1 ZINC001009054070 1223125273 /nfs/dbraw/zinc/12/52/73/1223125273.db2.gz YRZAOGFWWKKCLD-GOSISDBHSA-N 1 2 349.434 2.336 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001009165950 1223162426 /nfs/dbraw/zinc/16/24/26/1223162426.db2.gz CRMAVNIMEUCWPK-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001009165950 1223162427 /nfs/dbraw/zinc/16/24/27/1223162427.db2.gz CRMAVNIMEUCWPK-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001009650501 1223321022 /nfs/dbraw/zinc/32/10/22/1223321022.db2.gz ONCIWRVWHBIXKM-AWEZNQCLSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001009650501 1223321024 /nfs/dbraw/zinc/32/10/24/1223321024.db2.gz ONCIWRVWHBIXKM-AWEZNQCLSA-N 1 2 345.834 2.418 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@@H]1n1cccn1 ZINC001017628912 1227584835 /nfs/dbraw/zinc/58/48/35/1227584835.db2.gz TVUPTKMNSRRSLB-RDGPPVDQSA-N 1 2 340.471 2.313 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@@H]1n1cccn1 ZINC001017628912 1227584838 /nfs/dbraw/zinc/58/48/38/1227584838.db2.gz TVUPTKMNSRRSLB-RDGPPVDQSA-N 1 2 340.471 2.313 20 30 EEEDLO C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC001017746364 1227696243 /nfs/dbraw/zinc/69/62/43/1227696243.db2.gz CLQOFYZVIKKSJU-ZXFNITATSA-N 1 2 328.460 2.327 20 30 EEEDLO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC001017746364 1227696247 /nfs/dbraw/zinc/69/62/47/1227696247.db2.gz CLQOFYZVIKKSJU-ZXFNITATSA-N 1 2 328.460 2.327 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccn(C(F)F)n2)cc1 ZINC001038304199 1229732591 /nfs/dbraw/zinc/73/25/91/1229732591.db2.gz SIBQTJIIIOADSW-CQSZACIVSA-N 1 2 345.353 2.154 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccn(C(F)F)n2)cc1 ZINC001038304199 1229732593 /nfs/dbraw/zinc/73/25/93/1229732593.db2.gz SIBQTJIIIOADSW-CQSZACIVSA-N 1 2 345.353 2.154 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc3cc[nH]c3n2)cc1 ZINC001038379862 1229779626 /nfs/dbraw/zinc/77/96/26/1229779626.db2.gz YJCYAAUYDOKYII-QGZVFWFLSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc3cc[nH]c3n2)cc1 ZINC001038379862 1229779628 /nfs/dbraw/zinc/77/96/28/1229779628.db2.gz YJCYAAUYDOKYII-QGZVFWFLSA-N 1 2 345.406 2.439 20 30 EEEDLO COCc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)o1 ZINC001038487507 1229864146 /nfs/dbraw/zinc/86/41/46/1229864146.db2.gz XCWQJXUILUTWQL-MRXNPFEDSA-N 1 2 339.395 2.302 20 30 EEEDLO COCc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)o1 ZINC001038487507 1229864151 /nfs/dbraw/zinc/86/41/51/1229864151.db2.gz XCWQJXUILUTWQL-MRXNPFEDSA-N 1 2 339.395 2.302 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(C3CC3)on2)cc1 ZINC001038574165 1229923063 /nfs/dbraw/zinc/92/30/63/1229923063.db2.gz GKXSCAXYRIFZEV-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(C3CC3)on2)cc1 ZINC001038574165 1229923065 /nfs/dbraw/zinc/92/30/65/1229923065.db2.gz GKXSCAXYRIFZEV-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1Cc2ccncc2C1 ZINC001038703052 1229985579 /nfs/dbraw/zinc/98/55/79/1229985579.db2.gz HZLGATMKHYLSFD-CTNGQTDRSA-N 1 2 345.446 2.039 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1Cc2ccncc2C1 ZINC001038703052 1229985580 /nfs/dbraw/zinc/98/55/80/1229985580.db2.gz HZLGATMKHYLSFD-CTNGQTDRSA-N 1 2 345.446 2.039 20 30 EEEDLO CC(C)n1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)n1 ZINC001038760180 1230030345 /nfs/dbraw/zinc/03/03/45/1230030345.db2.gz GMUBPABFMXOGSW-QGZVFWFLSA-N 1 2 337.427 2.340 20 30 EEEDLO CC(C)n1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)n1 ZINC001038760180 1230030350 /nfs/dbraw/zinc/03/03/50/1230030350.db2.gz GMUBPABFMXOGSW-QGZVFWFLSA-N 1 2 337.427 2.340 20 30 EEEDLO CC(C)n1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)cn1 ZINC001038916011 1230161619 /nfs/dbraw/zinc/16/16/19/1230161619.db2.gz XPBFYCSYXBPZMM-GOSISDBHSA-N 1 2 337.427 2.340 20 30 EEEDLO CC(C)n1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)cn1 ZINC001038916011 1230161622 /nfs/dbraw/zinc/16/16/22/1230161622.db2.gz XPBFYCSYXBPZMM-GOSISDBHSA-N 1 2 337.427 2.340 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(O)CC1 ZINC001039367726 1230556667 /nfs/dbraw/zinc/55/66/67/1230556667.db2.gz PCFWYKFNVQBVSA-FYRZTWFESA-N 1 2 326.868 2.355 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(O)CC1 ZINC001039367726 1230556668 /nfs/dbraw/zinc/55/66/68/1230556668.db2.gz PCFWYKFNVQBVSA-FYRZTWFESA-N 1 2 326.868 2.355 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccn2)c1 ZINC001039539788 1230684036 /nfs/dbraw/zinc/68/40/36/1230684036.db2.gz GOTWNUQEYFRYJL-CALCHBBNSA-N 1 2 335.411 2.160 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccn2)c1 ZINC001039539788 1230684040 /nfs/dbraw/zinc/68/40/40/1230684040.db2.gz GOTWNUQEYFRYJL-CALCHBBNSA-N 1 2 335.411 2.160 20 30 EEEDLO Cc1n[nH]cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001039810394 1230823876 /nfs/dbraw/zinc/82/38/76/1230823876.db2.gz CCYGUNWUUGKJSR-HDICACEKSA-N 1 2 349.438 2.469 20 30 EEEDLO Cc1n[nH]cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001039810394 1230823880 /nfs/dbraw/zinc/82/38/80/1230823880.db2.gz CCYGUNWUUGKJSR-HDICACEKSA-N 1 2 349.438 2.469 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ncnn1C)C2 ZINC001040330431 1231173524 /nfs/dbraw/zinc/17/35/24/1231173524.db2.gz CNNNTKLMIVDBSU-LJQANCHMSA-N 1 2 345.491 2.232 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ncnn1C)C2 ZINC001040330431 1231173526 /nfs/dbraw/zinc/17/35/26/1231173526.db2.gz CNNNTKLMIVDBSU-LJQANCHMSA-N 1 2 345.491 2.232 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](Cc3nnc(C)o3)C2)C1 ZINC001041537541 1231586659 /nfs/dbraw/zinc/58/66/59/1231586659.db2.gz YRRBFAIEYZLVCU-GOSISDBHSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3nnc(C)o3)C2)C1 ZINC001041537541 1231586660 /nfs/dbraw/zinc/58/66/60/1231586660.db2.gz YRRBFAIEYZLVCU-GOSISDBHSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(C)[nH]4)[C@H]3C2)CC1 ZINC001042215704 1231960563 /nfs/dbraw/zinc/96/05/63/1231960563.db2.gz GASCEMWLARJTER-WBVHZDCISA-N 1 2 343.475 2.282 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(C)[nH]4)[C@H]3C2)CC1 ZINC001042215704 1231960567 /nfs/dbraw/zinc/96/05/67/1231960567.db2.gz GASCEMWLARJTER-WBVHZDCISA-N 1 2 343.475 2.282 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4cnn(CC)n4)[C@@H]3C2)C1 ZINC001042225107 1231967497 /nfs/dbraw/zinc/96/74/97/1231967497.db2.gz VWMNPZLOHBYLHM-DOTOQJQBSA-N 1 2 343.475 2.077 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@H+](Cc4cnn(CC)n4)[C@@H]3C2)C1 ZINC001042225107 1231967500 /nfs/dbraw/zinc/96/75/00/1231967500.db2.gz VWMNPZLOHBYLHM-DOTOQJQBSA-N 1 2 343.475 2.077 20 30 EEEDLO C[C@@H]1CCCC[C@H]1OCC[NH+]1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001042630754 1232125554 /nfs/dbraw/zinc/12/55/54/1232125554.db2.gz NIJUANXUDNYPOX-RDTXWAMCSA-N 1 2 344.459 2.238 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C1C[NH+](CCc2ccns2)C1 ZINC001042930045 1232200435 /nfs/dbraw/zinc/20/04/35/1232200435.db2.gz BHHUFNIADVEMPH-UHFFFAOYSA-N 1 2 330.457 2.130 20 30 EEEDLO Cc1cc(N2CC[C@@H]3CCN(C(=O)[C@H](C)C#N)C[C@@H]32)nc(C2CC2)[nH+]1 ZINC001044948487 1233396619 /nfs/dbraw/zinc/39/66/19/1233396619.db2.gz FOPMYRYKRKRERM-INWMFGNUSA-N 1 2 339.443 2.249 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC001045603008 1233849991 /nfs/dbraw/zinc/84/99/91/1233849991.db2.gz ODWOBPHWWDLFTO-QWHCGFSZSA-N 1 2 345.281 2.291 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1nncn1C ZINC001045826657 1234040825 /nfs/dbraw/zinc/04/08/25/1234040825.db2.gz CCWCXTZLBKRANX-KFWWJZLASA-N 1 2 331.464 2.154 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1nncn1C ZINC001045826657 1234040829 /nfs/dbraw/zinc/04/08/29/1234040829.db2.gz CCWCXTZLBKRANX-KFWWJZLASA-N 1 2 331.464 2.154 20 30 EEEDLO Cc1cccc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c1Cl ZINC001046070741 1234404858 /nfs/dbraw/zinc/40/48/58/1234404858.db2.gz AYJUIRMSCJFMPX-HNNXBMFYSA-N 1 2 346.862 2.004 20 30 EEEDLO C[C@@]1(NC(=O)c2cn[nH]c2)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046159959 1234502025 /nfs/dbraw/zinc/50/20/25/1234502025.db2.gz CHFUKECOMHCVHR-GOSISDBHSA-N 1 2 342.830 2.309 20 30 EEEDLO C[C@@]1(NC(=O)c2cn[nH]c2)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046159959 1234502030 /nfs/dbraw/zinc/50/20/30/1234502030.db2.gz CHFUKECOMHCVHR-GOSISDBHSA-N 1 2 342.830 2.309 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccnn2CC(F)F)C1 ZINC001046314917 1234659800 /nfs/dbraw/zinc/65/98/00/1234659800.db2.gz PGCAGLOAULDNSQ-AWEZNQCLSA-N 1 2 332.782 2.095 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccnn2CC(F)F)C1 ZINC001046314917 1234659803 /nfs/dbraw/zinc/65/98/03/1234659803.db2.gz PGCAGLOAULDNSQ-AWEZNQCLSA-N 1 2 332.782 2.095 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001046374388 1234723580 /nfs/dbraw/zinc/72/35/80/1234723580.db2.gz NWOSVXJBPBJWKH-KXBFYZLASA-N 1 2 339.443 2.420 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001046374388 1234723586 /nfs/dbraw/zinc/72/35/86/1234723586.db2.gz NWOSVXJBPBJWKH-KXBFYZLASA-N 1 2 339.443 2.420 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001046632057 1235015136 /nfs/dbraw/zinc/01/51/36/1235015136.db2.gz QJCOZXZHRZFITI-RVKKMQEKSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001046632057 1235015138 /nfs/dbraw/zinc/01/51/38/1235015138.db2.gz QJCOZXZHRZFITI-RVKKMQEKSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2scc3c2OCCO3)C1 ZINC001046746397 1235142149 /nfs/dbraw/zinc/14/21/49/1235142149.db2.gz JDRLQOCZGMPCLK-HNNXBMFYSA-N 1 2 342.848 2.466 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2scc3c2OCCO3)C1 ZINC001046746397 1235142151 /nfs/dbraw/zinc/14/21/51/1235142151.db2.gz JDRLQOCZGMPCLK-HNNXBMFYSA-N 1 2 342.848 2.466 20 30 EEEDLO Cc1cc(N2CCC[C@H](NC(=O)CSCC#N)C2)nc(C(C)C)[nH+]1 ZINC001096168440 1235666822 /nfs/dbraw/zinc/66/68/22/1235666822.db2.gz OIJBKHHWHRWFGN-AWEZNQCLSA-N 1 2 347.488 2.250 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[C@H](C2CC[NH+](Cc3csnn3)CC2)C1 ZINC001047232592 1235711132 /nfs/dbraw/zinc/71/11/32/1235711132.db2.gz VGTWCSYYYZYXEA-ZFWWWQNUSA-N 1 2 347.488 2.148 20 30 EEEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000901458984 1235829427 /nfs/dbraw/zinc/82/94/27/1235829427.db2.gz LKQCHLXLPHEBTF-CMDGGOBGSA-N 1 2 333.413 2.049 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001054977155 1249503029 /nfs/dbraw/zinc/50/30/29/1249503029.db2.gz VDLOOAOXYVOQBV-NXEZZACHSA-N 1 2 328.363 2.156 20 30 EEEDLO CCC[C@@H](CC)C(=O)NCC[NH+]1CCN(c2ccncc2C#N)CC1 ZINC001096289709 1237161323 /nfs/dbraw/zinc/16/13/23/1237161323.db2.gz MTYWXMHJWHYCCC-MRXNPFEDSA-N 1 2 343.475 2.018 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC3CC3)c1)C2 ZINC001096298131 1237196778 /nfs/dbraw/zinc/19/67/78/1237196778.db2.gz OVXGGDIYHQATDD-PMPSAXMXSA-N 1 2 334.851 2.381 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC3CC3)c1)C2 ZINC001096298131 1237196781 /nfs/dbraw/zinc/19/67/81/1237196781.db2.gz OVXGGDIYHQATDD-PMPSAXMXSA-N 1 2 334.851 2.381 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001056535614 1239433705 /nfs/dbraw/zinc/43/37/05/1239433705.db2.gz SGILJMUSCQXEFO-JKSUJKDBSA-N 1 2 344.459 2.291 20 30 EEEDLO Cc1ncc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2ccccc2C#N)[nH]1 ZINC001049375231 1240719190 /nfs/dbraw/zinc/71/91/90/1240719190.db2.gz DWXNJFBKPBLZSY-OALUTQOASA-N 1 2 349.438 2.469 20 30 EEEDLO Cc1ncc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2ccccc2C#N)[nH]1 ZINC001049375231 1240719192 /nfs/dbraw/zinc/71/91/92/1240719192.db2.gz DWXNJFBKPBLZSY-OALUTQOASA-N 1 2 349.438 2.469 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cc(N(C)C)ccn2)CC1 ZINC001001484893 1242360164 /nfs/dbraw/zinc/36/01/64/1242360164.db2.gz RUWPHKFCWNSFQG-UHFFFAOYSA-N 1 2 334.851 2.262 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cc(N(C)C)ccn2)CC1 ZINC001001484893 1242360174 /nfs/dbraw/zinc/36/01/74/1242360174.db2.gz RUWPHKFCWNSFQG-UHFFFAOYSA-N 1 2 334.851 2.262 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001073403413 1242435294 /nfs/dbraw/zinc/43/52/94/1242435294.db2.gz RFQPSLOWPWZOQP-GOEBONIOSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001073403413 1242435303 /nfs/dbraw/zinc/43/53/03/1242435303.db2.gz RFQPSLOWPWZOQP-GOEBONIOSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(CC)o2)C1 ZINC001073661156 1242614066 /nfs/dbraw/zinc/61/40/66/1242614066.db2.gz XHGFXLQZEBEASQ-AWEZNQCLSA-N 1 2 326.824 2.415 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(CC)o2)C1 ZINC001073661156 1242614082 /nfs/dbraw/zinc/61/40/82/1242614082.db2.gz XHGFXLQZEBEASQ-AWEZNQCLSA-N 1 2 326.824 2.415 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2c(C)cncc2C)C1 ZINC001073697046 1242666493 /nfs/dbraw/zinc/66/64/93/1242666493.db2.gz XEDSLHNAHOWKPN-HNNXBMFYSA-N 1 2 337.851 2.272 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2c(C)cncc2C)C1 ZINC001073697046 1242666507 /nfs/dbraw/zinc/66/65/07/1242666507.db2.gz XEDSLHNAHOWKPN-HNNXBMFYSA-N 1 2 337.851 2.272 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001050063338 1242757961 /nfs/dbraw/zinc/75/79/61/1242757961.db2.gz GVXHFKKGTSRJMJ-MAUKXSAKSA-N 1 2 340.427 2.399 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001050063338 1242757973 /nfs/dbraw/zinc/75/79/73/1242757973.db2.gz GVXHFKKGTSRJMJ-MAUKXSAKSA-N 1 2 340.427 2.399 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001074000004 1242898052 /nfs/dbraw/zinc/89/80/52/1242898052.db2.gz UAGZFAJLDVQYEF-HUUCEWRRSA-N 1 2 346.475 2.397 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]2C[N@H+](Cc3cnc(Cl)s3)C[C@H]21 ZINC001049998141 1243000942 /nfs/dbraw/zinc/00/09/42/1243000942.db2.gz CJTKOKMKIAYXSC-GMXVVIOVSA-N 1 2 338.864 2.379 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](Cc3cnc(Cl)s3)C[C@H]21 ZINC001049998141 1243000949 /nfs/dbraw/zinc/00/09/49/1243000949.db2.gz CJTKOKMKIAYXSC-GMXVVIOVSA-N 1 2 338.864 2.379 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001097382839 1244115902 /nfs/dbraw/zinc/11/59/02/1244115902.db2.gz XEEHEWASCNPYAE-AWEZNQCLSA-N 1 2 342.447 2.370 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2cccnc2n1 ZINC001050927540 1244644295 /nfs/dbraw/zinc/64/42/95/1244644295.db2.gz MZBGGXLZDKYCJS-INIZCTEOSA-N 1 2 340.427 2.027 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2cccnc2n1 ZINC001050927540 1244644299 /nfs/dbraw/zinc/64/42/99/1244644299.db2.gz MZBGGXLZDKYCJS-INIZCTEOSA-N 1 2 340.427 2.027 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(N(C)C)cc1F ZINC001050951386 1244707459 /nfs/dbraw/zinc/70/74/59/1244707459.db2.gz GMGDLKLESGGZOM-MRXNPFEDSA-N 1 2 349.450 2.289 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(N(C)C)cc1F ZINC001050951386 1244707467 /nfs/dbraw/zinc/70/74/67/1244707467.db2.gz GMGDLKLESGGZOM-MRXNPFEDSA-N 1 2 349.450 2.289 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OC)c(F)c1 ZINC001050961983 1244740062 /nfs/dbraw/zinc/74/00/62/1244740062.db2.gz ZCDXCJXGRUUBDA-HNNXBMFYSA-N 1 2 336.407 2.231 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OC)c(F)c1 ZINC001050961983 1244740069 /nfs/dbraw/zinc/74/00/69/1244740069.db2.gz ZCDXCJXGRUUBDA-HNNXBMFYSA-N 1 2 336.407 2.231 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001051248853 1245438564 /nfs/dbraw/zinc/43/85/64/1245438564.db2.gz GAAYYGGUFFWXRS-GJZGRUSLSA-N 1 2 346.475 2.397 20 30 EEEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4cnon4)C[C@@]3(C)C2)CCCC1 ZINC001101494746 1245899704 /nfs/dbraw/zinc/89/97/04/1245899704.db2.gz DXIIMQQSMWWGSF-QAPCUYQASA-N 1 2 344.459 2.486 20 30 EEEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4cnon4)C[C@@]3(C)C2)CCCC1 ZINC001101494746 1245899710 /nfs/dbraw/zinc/89/97/10/1245899710.db2.gz DXIIMQQSMWWGSF-QAPCUYQASA-N 1 2 344.459 2.486 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001053109839 1245931914 /nfs/dbraw/zinc/93/19/14/1245931914.db2.gz VWNJPQRQZLEBFI-UKRRQHHQSA-N 1 2 346.475 2.074 20 30 EEEDLO CC[C@@H](c1ccccc1)[NH+]1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 ZINC001053187245 1246026273 /nfs/dbraw/zinc/02/62/73/1246026273.db2.gz HXYVSTMRDPMDBW-WBVHZDCISA-N 1 2 327.428 2.211 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CCc1cccc(C)c1)CCO2 ZINC001053360873 1246231301 /nfs/dbraw/zinc/23/13/01/1246231301.db2.gz FBWTYECCTCPVCL-UHFFFAOYSA-N 1 2 328.456 2.417 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(F)c(F)c1F)CCO2 ZINC001053401481 1246288379 /nfs/dbraw/zinc/28/83/79/1246288379.db2.gz YJLXXPCUICSQKB-UHFFFAOYSA-N 1 2 340.345 2.207 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(F)cc3)C2)CC1 ZINC001051970088 1246325117 /nfs/dbraw/zinc/32/51/17/1246325117.db2.gz WLCQUYGPIKRGAI-GOSISDBHSA-N 1 2 331.435 2.234 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)Cc1cccs1)CCO2 ZINC001053451992 1246345758 /nfs/dbraw/zinc/34/57/58/1246345758.db2.gz MUAGGJPZKGWXPE-HNNXBMFYSA-N 1 2 334.485 2.416 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnc(C3CC3)s1)CCO2 ZINC001053513570 1246416363 /nfs/dbraw/zinc/41/63/63/1246416363.db2.gz MLIVBUSAZCYSDM-UHFFFAOYSA-N 1 2 333.457 2.123 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001053522806 1246429137 /nfs/dbraw/zinc/42/91/37/1246429137.db2.gz SYPFLCKXQYUOBG-DZUCGIPZSA-N 1 2 344.459 2.273 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccoc3C3CC3)C2)CC1 ZINC001052070207 1246443769 /nfs/dbraw/zinc/44/37/69/1246443769.db2.gz DSEXBLQXQGXISI-MRXNPFEDSA-N 1 2 329.444 2.175 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)c3ccco3)C2)CC1 ZINC001052080659 1246457571 /nfs/dbraw/zinc/45/75/71/1246457571.db2.gz FRXMSLXECOAMFY-DLBZAZTESA-N 1 2 331.460 2.178 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(C)c(F)c3F)C2)CC1 ZINC001052087146 1246466433 /nfs/dbraw/zinc/46/64/33/1246466433.db2.gz ZSZOUOVKVNEGHS-OAHLLOKOSA-N 1 2 349.425 2.291 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)CC3CCCCC3)C2)CC1 ZINC001052094460 1246474894 /nfs/dbraw/zinc/47/48/94/1246474894.db2.gz TULOVRFSKMFVOZ-QUCCMNQESA-N 1 2 345.531 2.445 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC34CCCC4)C2)CC1 ZINC001052103497 1246481731 /nfs/dbraw/zinc/48/17/31/1246481731.db2.gz RBTKCDSBFLNCSI-MSOLQXFVSA-N 1 2 331.504 2.361 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H](C)c3ccco3)C2)CC1 ZINC001052107101 1246487486 /nfs/dbraw/zinc/48/74/86/1246487486.db2.gz BFHNGHLIZRROMW-QZTJIDSGSA-N 1 2 343.471 2.015 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(C)c3C)C2)CC1 ZINC001052114504 1246497485 /nfs/dbraw/zinc/49/74/85/1246497485.db2.gz LYTCMIWEZOWMQN-IBGZPJMESA-N 1 2 339.483 2.159 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C)cc3C)C2)CC1 ZINC001052114747 1246497537 /nfs/dbraw/zinc/49/75/37/1246497537.db2.gz OMHUGKVDXZORPY-IBGZPJMESA-N 1 2 339.483 2.159 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCC(C)(C)C3)C2)CC1 ZINC001052123069 1246509943 /nfs/dbraw/zinc/50/99/43/1246509943.db2.gz ATJDZTXWXTUOQH-ROUUACIJSA-N 1 2 331.504 2.055 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccnn1C(C)C)O2 ZINC001053604352 1246519650 /nfs/dbraw/zinc/51/96/50/1246519650.db2.gz CUULLTLLWFGYAB-OAHLLOKOSA-N 1 2 332.448 2.003 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccnc(CCC)c1)O2 ZINC001053610677 1246530115 /nfs/dbraw/zinc/53/01/15/1246530115.db2.gz XKHSXZAOBDDUEZ-QGZVFWFLSA-N 1 2 329.444 2.183 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)O2 ZINC001053629186 1246558898 /nfs/dbraw/zinc/55/88/98/1246558898.db2.gz INMSLSYBTTYOKO-CMKODMSKSA-N 1 2 340.467 2.500 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(F)c(F)c1F)O2 ZINC001053655256 1246598296 /nfs/dbraw/zinc/59/82/96/1246598296.db2.gz GGYBLLDRTHNJAR-NSHDSACASA-N 1 2 340.345 2.253 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C(C)C)[nH]c1=O)O2 ZINC001053672467 1246622198 /nfs/dbraw/zinc/62/21/98/1246622198.db2.gz NBTKRMVMWFQXMF-AWEZNQCLSA-N 1 2 345.443 2.060 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1scnc1C1CC1)O2 ZINC001053677494 1246630582 /nfs/dbraw/zinc/63/05/82/1246630582.db2.gz ZSPSNMIQOJXSRQ-CYBMUJFWSA-N 1 2 333.457 2.170 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(OC)c(C)c1)O2 ZINC001053678958 1246633095 /nfs/dbraw/zinc/63/30/95/1246633095.db2.gz QAGZEZQECOIGHQ-MRXNPFEDSA-N 1 2 330.428 2.153 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(C)onc1CC)O2 ZINC001053695741 1246668002 /nfs/dbraw/zinc/66/80/02/1246668002.db2.gz QWGCQWDZUYZDOJ-CQSZACIVSA-N 1 2 333.432 2.085 20 30 EEEDLO Cc1cc(N2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@]3(C)C2)nc(C(C)C)[nH+]1 ZINC001052234957 1246706012 /nfs/dbraw/zinc/70/60/12/1246706012.db2.gz ZRWZVNQXDVPRHE-MUKKUYKPSA-N 1 2 341.459 2.353 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1sc(Cl)nc1C)CO2 ZINC001053815321 1246829834 /nfs/dbraw/zinc/82/98/34/1246829834.db2.gz KTRMUAZQYPTNAC-LLVKDONJSA-N 1 2 341.864 2.254 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1scc(C)c1Cl)CO2 ZINC001053817411 1246832634 /nfs/dbraw/zinc/83/26/34/1246832634.db2.gz LQVUZNAIBJVHHP-LBPRGKRZSA-N 1 2 338.860 2.306 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)n([C@H](C)CC)n1)CO2 ZINC001053853603 1246912386 /nfs/dbraw/zinc/91/23/86/1246912386.db2.gz JMVIIOLFUDHSMP-ZBFHGGJFSA-N 1 2 346.475 2.312 20 30 EEEDLO N#Cc1c(F)cccc1N[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001057728367 1246972480 /nfs/dbraw/zinc/97/24/80/1246972480.db2.gz NAOXUFXIEAOLHJ-CQSZACIVSA-N 1 2 341.390 2.387 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)c1ccccc1)CO2 ZINC001054003583 1247137397 /nfs/dbraw/zinc/13/73/97/1247137397.db2.gz WIALJUSSZFTSTK-KRWDZBQOSA-N 1 2 328.456 2.500 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)c1ccc(F)c(F)c1)CO2 ZINC001054014108 1247149182 /nfs/dbraw/zinc/14/91/82/1247149182.db2.gz IHYKNKJTYISTDQ-DZGCQCFKSA-N 1 2 348.393 2.051 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)c1cccc(OC)c1)CO2 ZINC001054017788 1247154906 /nfs/dbraw/zinc/15/49/06/1247154906.db2.gz LQNLYLNOQLECTI-DOTOQJQBSA-N 1 2 344.455 2.334 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccnc(OC)c1 ZINC001054045035 1247218052 /nfs/dbraw/zinc/21/80/52/1247218052.db2.gz JWAINJZMYRKCRD-IBGZPJMESA-N 1 2 349.434 2.270 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccnc(OC)c1 ZINC001054045035 1247218062 /nfs/dbraw/zinc/21/80/62/1247218062.db2.gz JWAINJZMYRKCRD-IBGZPJMESA-N 1 2 349.434 2.270 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccn2ccnc2c1 ZINC001054046148 1247224081 /nfs/dbraw/zinc/22/40/81/1247224081.db2.gz CZTKDZHLEMIHDL-LJQANCHMSA-N 1 2 344.418 2.124 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccn2ccnc2c1 ZINC001054046148 1247224088 /nfs/dbraw/zinc/22/40/88/1247224088.db2.gz CZTKDZHLEMIHDL-LJQANCHMSA-N 1 2 344.418 2.124 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cnn(C(F)F)c1 ZINC001054058189 1247261210 /nfs/dbraw/zinc/26/12/10/1247261210.db2.gz XUKWSSAITHUHMU-INIZCTEOSA-N 1 2 344.365 2.068 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cnn(C(F)F)c1 ZINC001054058189 1247261215 /nfs/dbraw/zinc/26/12/15/1247261215.db2.gz XUKWSSAITHUHMU-INIZCTEOSA-N 1 2 344.365 2.068 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001054059494 1247268283 /nfs/dbraw/zinc/26/82/83/1247268283.db2.gz QHPAZKLEPNKQOL-LJQANCHMSA-N 1 2 335.451 2.432 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001054059494 1247268298 /nfs/dbraw/zinc/26/82/98/1247268298.db2.gz QHPAZKLEPNKQOL-LJQANCHMSA-N 1 2 335.451 2.432 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@]2(CC[N@H+](Cc3cnon3)C2)C1 ZINC001054192059 1247669747 /nfs/dbraw/zinc/66/97/47/1247669747.db2.gz QOMQPURPOQDCAH-QZTJIDSGSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3cnon3)C2)C1 ZINC001054192059 1247669756 /nfs/dbraw/zinc/66/97/56/1247669756.db2.gz QOMQPURPOQDCAH-QZTJIDSGSA-N 1 2 332.448 2.486 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3csc4cncn43)cc2C1 ZINC001054284557 1248004356 /nfs/dbraw/zinc/00/43/56/1248004356.db2.gz XMBHJRSVVRMKFZ-UHFFFAOYSA-N 1 2 336.420 2.275 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3csc4cncn43)cc2C1 ZINC001054284557 1248004372 /nfs/dbraw/zinc/00/43/72/1248004372.db2.gz XMBHJRSVVRMKFZ-UHFFFAOYSA-N 1 2 336.420 2.275 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cnn4c3CCCC4)cc2C1 ZINC001054288339 1248016419 /nfs/dbraw/zinc/01/64/19/1248016419.db2.gz RPQHXPOYSSQYAH-UHFFFAOYSA-N 1 2 334.423 2.098 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cnn4c3CCCC4)cc2C1 ZINC001054288339 1248016431 /nfs/dbraw/zinc/01/64/31/1248016431.db2.gz RPQHXPOYSSQYAH-UHFFFAOYSA-N 1 2 334.423 2.098 20 30 EEEDLO C[C@@H](Nc1ncccc1C#N)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001058023864 1248309205 /nfs/dbraw/zinc/30/92/05/1248309205.db2.gz NFOCVYYHJNCWNG-CZUORRHYSA-N 1 2 338.415 2.101 20 30 EEEDLO C[C@@H](Nc1ccc(C#N)nc1)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001058024246 1248310852 /nfs/dbraw/zinc/31/08/52/1248310852.db2.gz TUHHHBCJJBPUQM-CXAGYDPISA-N 1 2 338.415 2.101 20 30 EEEDLO C[C@@H]1C[C@@H](CNc2cccc(F)c2C#N)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001068376530 1250927612 /nfs/dbraw/zinc/92/76/12/1250927612.db2.gz VZPUTDFAKNANCQ-OLZOCXBDSA-N 1 2 341.390 2.312 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NC[C@H](C)Nc3ccc(C#N)cn3)ccn12 ZINC001098070669 1251320111 /nfs/dbraw/zinc/32/01/11/1251320111.db2.gz BRHWWNLJZOFFDO-LBPRGKRZSA-N 1 2 334.383 2.140 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)NC1(CC)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001069646757 1253087161 /nfs/dbraw/zinc/08/71/61/1253087161.db2.gz RTFOLEXNQPWFHK-HUUCEWRRSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)CCC1 ZINC001070675127 1253722048 /nfs/dbraw/zinc/72/20/48/1253722048.db2.gz PNMMQZOHCPYJDH-OAHLLOKOSA-N 1 2 344.459 2.196 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001070792706 1253798191 /nfs/dbraw/zinc/79/81/91/1253798191.db2.gz GJNLPUWFAFLDTF-CQSZACIVSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001071066605 1253933028 /nfs/dbraw/zinc/93/30/28/1253933028.db2.gz WDRIYGFNYFGBFS-OAHLLOKOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001071066605 1253933039 /nfs/dbraw/zinc/93/30/39/1253933039.db2.gz WDRIYGFNYFGBFS-OAHLLOKOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1cccnc1)C[C@H](C)O2 ZINC001071123871 1253968524 /nfs/dbraw/zinc/96/85/24/1253968524.db2.gz 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1 2 337.508 2.426 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NCc1ccccc1 ZINC001234593618 1304979159 /nfs/dbraw/zinc/97/91/59/1304979159.db2.gz INAQKAOHSYRGEQ-GOSISDBHSA-N 1 2 343.471 2.192 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NCc1ccccc1 ZINC001234593618 1304979161 /nfs/dbraw/zinc/97/91/61/1304979161.db2.gz INAQKAOHSYRGEQ-GOSISDBHSA-N 1 2 343.471 2.192 20 30 EEEDLO COC(=O)c1cc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)ccc1OC ZINC001234959243 1305063153 /nfs/dbraw/zinc/06/31/53/1305063153.db2.gz FAWFMRKYMGVCFD-OAHLLOKOSA-N 1 2 333.409 2.256 20 30 EEEDLO COC(=O)c1cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)ccc1OC ZINC001234959243 1305063155 /nfs/dbraw/zinc/06/31/55/1305063155.db2.gz FAWFMRKYMGVCFD-OAHLLOKOSA-N 1 2 333.409 2.256 20 30 EEEDLO C=CCOCC(=O)NCC1([NH2+]CC(F)(F)C(F)F)CCCCC1 ZINC001115447748 1305133050 /nfs/dbraw/zinc/13/30/50/1305133050.db2.gz AXDOSXWASVMBSR-UHFFFAOYSA-N 1 2 340.361 2.498 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NCCC[N@H+](C)[C@@H](C)c1nnc(C)s1 ZINC001235215361 1305153094 /nfs/dbraw/zinc/15/30/94/1305153094.db2.gz OOWRUSAEZRROLQ-STQMWFEESA-N 1 2 340.493 2.327 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NCCC[N@@H+](C)[C@@H](C)c1nnc(C)s1 ZINC001235215361 1305153098 /nfs/dbraw/zinc/15/30/98/1305153098.db2.gz OOWRUSAEZRROLQ-STQMWFEESA-N 1 2 340.493 2.327 20 30 EEEDLO COC(=O)c1cc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cc(OC)c1 ZINC001236757453 1305661332 /nfs/dbraw/zinc/66/13/32/1305661332.db2.gz AMMVWIBGBLHOLY-HNNXBMFYSA-N 1 2 333.409 2.256 20 30 EEEDLO COC(=O)c1cc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cc(OC)c1 ZINC001236757453 1305661336 /nfs/dbraw/zinc/66/13/36/1305661336.db2.gz AMMVWIBGBLHOLY-HNNXBMFYSA-N 1 2 333.409 2.256 20 30 EEEDLO Cn1cc2c(n1)C[N@@H+](Cc1ccnc(C#N)c1)C[C@H]2COCC1CC1 ZINC001237463068 1305944997 /nfs/dbraw/zinc/94/49/97/1305944997.db2.gz LYEPCJHBYVHPBL-INIZCTEOSA-N 1 2 337.427 2.213 20 30 EEEDLO Cn1cc2c(n1)C[N@H+](Cc1ccnc(C#N)c1)C[C@H]2COCC1CC1 ZINC001237463068 1305945005 /nfs/dbraw/zinc/94/50/05/1305945005.db2.gz LYEPCJHBYVHPBL-INIZCTEOSA-N 1 2 337.427 2.213 20 30 EEEDLO CN(Cc1ccnc(C#N)c1)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001237469377 1305947949 /nfs/dbraw/zinc/94/79/49/1305947949.db2.gz TVEPDRFSYAEHSR-HXUWFJFHSA-N 1 2 336.439 2.286 20 30 EEEDLO CN(Cc1ccnc(C#N)c1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001237469377 1305947951 /nfs/dbraw/zinc/94/79/51/1305947951.db2.gz TVEPDRFSYAEHSR-HXUWFJFHSA-N 1 2 336.439 2.286 20 30 EEEDLO N#Cc1ccc2nc(C[NH+]3CCN(c4ccc(O)cc4)CC3)cn2c1 ZINC001237609385 1306000832 /nfs/dbraw/zinc/00/08/32/1306000832.db2.gz QNDQMQXPIBLISN-UHFFFAOYSA-N 1 2 333.395 2.234 20 30 EEEDLO C[C@@H]1CN(C(=O)[C@H]2CC23C[NH+](Cc2ccccc2C#N)C3)C[C@H](C)O1 ZINC001278239536 1308894469 /nfs/dbraw/zinc/89/44/69/1308894469.db2.gz UFRVQMRPVDMACR-RVKKMQEKSA-N 1 2 339.439 2.016 20 30 EEEDLO COC(=O)c1ccc(-c2ccc(C[NH+]3CCOCC3)nc2)cc1C#N ZINC001239584998 1309138572 /nfs/dbraw/zinc/13/85/72/1309138572.db2.gz XJYGFTWJKUNGNG-UHFFFAOYSA-N 1 2 337.379 2.239 20 30 EEEDLO C=CCOc1cccnc1C(=O)N(C)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001120067453 1309304674 /nfs/dbraw/zinc/30/46/74/1309304674.db2.gz GDZPTOYRWGUGGZ-CYBMUJFWSA-N 1 2 341.415 2.317 20 30 EEEDLO C[C@H](CN(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21)Nc1ccc(C#N)nc1 ZINC001120644253 1309663492 /nfs/dbraw/zinc/66/34/92/1309663492.db2.gz WFVRNIFTLPYRST-DOMZBBRYSA-N 1 2 338.415 2.055 20 30 EEEDLO C[C@@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)Nc1ncccc1C#N ZINC001120760191 1309734257 /nfs/dbraw/zinc/73/42/57/1309734257.db2.gz XSLGUWICACQHAY-KBPBESRZSA-N 1 2 326.404 2.060 20 30 EEEDLO N#Cc1c[nH]c2nc(-c3cc(F)ccc3C[NH+]3CCOCC3)ncc12 ZINC001243073440 1309760692 /nfs/dbraw/zinc/76/06/92/1309760692.db2.gz SYNNTHDVLAQMSS-UHFFFAOYSA-N 1 2 337.358 2.468 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC2(CCO2)CC1 ZINC001121509938 1310034688 /nfs/dbraw/zinc/03/46/88/1310034688.db2.gz PXIBCBWYUDJAFF-HNNXBMFYSA-N 1 2 331.464 2.380 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC2(CCO2)CC1 ZINC001121509938 1310034694 /nfs/dbraw/zinc/03/46/94/1310034694.db2.gz PXIBCBWYUDJAFF-HNNXBMFYSA-N 1 2 331.464 2.380 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@@H]2COC[C@@H]21 ZINC001122440879 1310286587 /nfs/dbraw/zinc/28/65/87/1310286587.db2.gz LMPFBZHQYVKOBA-OAGGEKHMSA-N 1 2 331.464 2.236 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@H]2COC[C@@H]21 ZINC001122440879 1310286590 /nfs/dbraw/zinc/28/65/90/1310286590.db2.gz LMPFBZHQYVKOBA-OAGGEKHMSA-N 1 2 331.464 2.236 20 30 EEEDLO Cc1noc2ccc(C[NH+]3CCN(c4nccnc4C#N)CC3)cc12 ZINC001248706261 1310927325 /nfs/dbraw/zinc/92/73/25/1310927325.db2.gz PVJBVIYMDVNBTM-UHFFFAOYSA-N 1 2 334.383 2.120 20 30 EEEDLO C=CCC1(C(=O)N(C)C[C@@H](O)CN(C)c2cc[nH+]c(C)n2)CCCC1 ZINC001125114943 1310988071 /nfs/dbraw/zinc/98/80/71/1310988071.db2.gz LABNDDNKQXNGDH-INIZCTEOSA-N 1 2 346.475 2.177 20 30 EEEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000831486104 1314594549 /nfs/dbraw/zinc/59/45/49/1314594549.db2.gz MPTOXXAFMIWCCX-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1nc(Br)cs1 ZINC000834762046 1314871137 /nfs/dbraw/zinc/87/11/37/1314871137.db2.gz ZHDAFSHMUDFJID-QMMMGPOBSA-N 1 2 339.280 2.157 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922381 1315801159 /nfs/dbraw/zinc/80/11/59/1315801159.db2.gz GDBQJSBOTBVIEK-MKZZRHPPSA-N 1 2 339.395 2.192 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922381 1315801161 /nfs/dbraw/zinc/80/11/61/1315801161.db2.gz GDBQJSBOTBVIEK-MKZZRHPPSA-N 1 2 339.395 2.192 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C2(c3ccccn3)CC2)C1 ZINC001149721833 1316025853 /nfs/dbraw/zinc/02/58/53/1316025853.db2.gz SHOKRYKBXOHUFH-OAHLLOKOSA-N 1 2 349.862 2.073 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C2(c3ccccn3)CC2)C1 ZINC001149721833 1316025855 /nfs/dbraw/zinc/02/58/55/1316025855.db2.gz SHOKRYKBXOHUFH-OAHLLOKOSA-N 1 2 349.862 2.073 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1C[N@H+]([C@@H](C)c2ncc(C)o2)CCCO1 ZINC001150084259 1316149247 /nfs/dbraw/zinc/14/92/47/1316149247.db2.gz AERGHBZRQRRXEZ-GJZGRUSLSA-N 1 2 335.448 2.463 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1C[N@@H+]([C@@H](C)c2ncc(C)o2)CCCO1 ZINC001150084259 1316149251 /nfs/dbraw/zinc/14/92/51/1316149251.db2.gz AERGHBZRQRRXEZ-GJZGRUSLSA-N 1 2 335.448 2.463 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2cnc(C)cn2)CCCO1 ZINC001150138788 1316174049 /nfs/dbraw/zinc/17/40/49/1316174049.db2.gz FJDYSCIQYWSQAY-MAUKXSAKSA-N 1 2 346.475 2.094 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2cnc(C)cn2)CCCO1 ZINC001150138788 1316174052 /nfs/dbraw/zinc/17/40/52/1316174052.db2.gz FJDYSCIQYWSQAY-MAUKXSAKSA-N 1 2 346.475 2.094 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](OC)C2CCCC2)C1 ZINC001150646165 1316328107 /nfs/dbraw/zinc/32/81/07/1316328107.db2.gz MTNOBFGUOPNHCQ-JKSUJKDBSA-N 1 2 344.883 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](OC)C2CCCC2)C1 ZINC001150646165 1316328112 /nfs/dbraw/zinc/32/81/12/1316328112.db2.gz MTNOBFGUOPNHCQ-JKSUJKDBSA-N 1 2 344.883 2.151 20 30 EEEDLO C=CC[C@H](Cc1ccccc1)C(=O)NCC[NH2+]Cc1nonc1C ZINC001151923324 1316609521 /nfs/dbraw/zinc/60/95/21/1316609521.db2.gz VWURXPSFVCPRLU-MRXNPFEDSA-N 1 2 328.416 2.019 20 30 EEEDLO CC[N@H+](Cc1ncc(C)s1)[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 ZINC001152794478 1316725622 /nfs/dbraw/zinc/72/56/22/1316725622.db2.gz VQJJAOPARLEESO-LLVKDONJSA-N 1 2 331.445 2.292 20 30 EEEDLO CC[N@@H+](Cc1ncc(C)s1)[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 ZINC001152794478 1316725624 /nfs/dbraw/zinc/72/56/24/1316725624.db2.gz VQJJAOPARLEESO-LLVKDONJSA-N 1 2 331.445 2.292 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(C)cs1 ZINC001153013164 1316759558 /nfs/dbraw/zinc/75/95/58/1316759558.db2.gz ZMQNARBOKPOYFR-CZUORRHYSA-N 1 2 325.478 2.105 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(C)cs1 ZINC001153013164 1316759559 /nfs/dbraw/zinc/75/95/59/1316759559.db2.gz ZMQNARBOKPOYFR-CZUORRHYSA-N 1 2 325.478 2.105 20 30 EEEDLO C#CCOC[C@H](O)C[N@@H+]1CCn2nc(-c3ccc(Cl)cc3)cc2C1 ZINC001251857334 1317510022 /nfs/dbraw/zinc/51/00/22/1317510022.db2.gz ALFVLIYINYAUDS-QGZVFWFLSA-N 1 2 345.830 2.030 20 30 EEEDLO C#CCOC[C@H](O)C[N@H+]1CCn2nc(-c3ccc(Cl)cc3)cc2C1 ZINC001251857334 1317510029 /nfs/dbraw/zinc/51/00/29/1317510029.db2.gz ALFVLIYINYAUDS-QGZVFWFLSA-N 1 2 345.830 2.030 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1nccn1C ZINC001155724397 1317714918 /nfs/dbraw/zinc/71/49/18/1317714918.db2.gz KTLZCHXRKIWJSV-RYRKJORJSA-N 1 2 348.491 2.118 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccn1C ZINC001155724397 1317714924 /nfs/dbraw/zinc/71/49/24/1317714924.db2.gz KTLZCHXRKIWJSV-RYRKJORJSA-N 1 2 348.491 2.118 20 30 EEEDLO C=C[C@@H](O)CNc1cncnc1[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001253569408 1317883815 /nfs/dbraw/zinc/88/38/15/1317883815.db2.gz YHYONHPWROYYNW-SJLPKXTDSA-N 1 2 340.427 2.009 20 30 EEEDLO C=C[C@@H](O)CNc1cncnc1[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001253569408 1317883821 /nfs/dbraw/zinc/88/38/21/1317883821.db2.gz YHYONHPWROYYNW-SJLPKXTDSA-N 1 2 340.427 2.009 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nc(C)cs2)nc1 ZINC001156475457 1318029607 /nfs/dbraw/zinc/02/96/07/1318029607.db2.gz GRJMLDXCXXMWTL-CQSZACIVSA-N 1 2 342.468 2.468 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nc(C)cs2)nc1 ZINC001156475457 1318029613 /nfs/dbraw/zinc/02/96/13/1318029613.db2.gz GRJMLDXCXXMWTL-CQSZACIVSA-N 1 2 342.468 2.468 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC001254670036 1318163969 /nfs/dbraw/zinc/16/39/69/1318163969.db2.gz YESMSVUETJTUGC-FUHWJXTLSA-N 1 2 327.428 2.283 20 30 EEEDLO CC[C@H](CC#N)[N@H+]1CCc2nc(C(=O)N3CCCC3)sc2CC1 ZINC001255166710 1318307966 /nfs/dbraw/zinc/30/79/66/1318307966.db2.gz PHSWMSNOIVFIRW-CYBMUJFWSA-N 1 2 332.473 2.472 20 30 EEEDLO CC[C@H](CC#N)[N@@H+]1CCc2nc(C(=O)N3CCCC3)sc2CC1 ZINC001255166710 1318307975 /nfs/dbraw/zinc/30/79/75/1318307975.db2.gz PHSWMSNOIVFIRW-CYBMUJFWSA-N 1 2 332.473 2.472 20 30 EEEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@@H](Oc2ncc(Br)cn2)C1 ZINC001255172431 1318311242 /nfs/dbraw/zinc/31/12/42/1318311242.db2.gz AGRJNVVFPKAVAV-NWDGAFQWSA-N 1 2 325.210 2.384 20 30 EEEDLO CC[C@@H](CC#N)[N@H+]1CC[C@@H](Oc2ncc(Br)cn2)C1 ZINC001255172431 1318311252 /nfs/dbraw/zinc/31/12/52/1318311252.db2.gz AGRJNVVFPKAVAV-NWDGAFQWSA-N 1 2 325.210 2.384 20 30 EEEDLO C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001158697287 1319382258 /nfs/dbraw/zinc/38/22/58/1319382258.db2.gz ZOCZGJRURUHIBK-QGZVFWFLSA-N 1 2 337.427 2.031 20 30 EEEDLO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001158697287 1319382263 /nfs/dbraw/zinc/38/22/63/1319382263.db2.gz ZOCZGJRURUHIBK-QGZVFWFLSA-N 1 2 337.427 2.031 20 30 EEEDLO C=CCCOCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nccn1CC ZINC001158936088 1319518283 /nfs/dbraw/zinc/51/82/83/1319518283.db2.gz SWBBWVJHVKCDIV-QGZVFWFLSA-N 1 2 348.491 2.309 20 30 EEEDLO C=CCCOCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nccn1CC ZINC001158936088 1319518291 /nfs/dbraw/zinc/51/82/91/1319518291.db2.gz SWBBWVJHVKCDIV-QGZVFWFLSA-N 1 2 348.491 2.309 20 30 EEEDLO Cc1nnc([C@H](C)[N@@H+]2CC=C(CCNC(=O)[C@H](C)C#N)CC2)s1 ZINC001159586900 1319902028 /nfs/dbraw/zinc/90/20/28/1319902028.db2.gz DVEKJQNYZNRVLG-NEPJUHHUSA-N 1 2 333.461 2.206 20 30 EEEDLO Cc1nnc([C@H](C)[N@H+]2CC=C(CCNC(=O)[C@H](C)C#N)CC2)s1 ZINC001159586900 1319902030 /nfs/dbraw/zinc/90/20/30/1319902030.db2.gz DVEKJQNYZNRVLG-NEPJUHHUSA-N 1 2 333.461 2.206 20 30 EEEDLO C#CCCCCC(=O)NCCC1=CC[N@H+]([C@H](C)c2nncn2C)CC1 ZINC001159860003 1320006582 /nfs/dbraw/zinc/00/65/82/1320006582.db2.gz ZXDPFDAZSAUBHC-MRXNPFEDSA-N 1 2 343.475 2.208 20 30 EEEDLO C#CCCCCC(=O)NCCC1=CC[N@@H+]([C@H](C)c2nncn2C)CC1 ZINC001159860003 1320006587 /nfs/dbraw/zinc/00/65/87/1320006587.db2.gz ZXDPFDAZSAUBHC-MRXNPFEDSA-N 1 2 343.475 2.208 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@@H+]([C@H](C)c2nnnn2C)CC1 ZINC001160991523 1320346172 /nfs/dbraw/zinc/34/61/72/1320346172.db2.gz PFWCJPHZGXUNTQ-HUUCEWRRSA-N 1 2 346.479 2.012 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@H+]([C@H](C)c2nnnn2C)CC1 ZINC001160991523 1320346177 /nfs/dbraw/zinc/34/61/77/1320346177.db2.gz PFWCJPHZGXUNTQ-HUUCEWRRSA-N 1 2 346.479 2.012 20 30 EEEDLO C=CCOc1ccc(C(=O)NCCC[NH2+][C@@H](C)c2noc(C)n2)cc1 ZINC001161155849 1320403874 /nfs/dbraw/zinc/40/38/74/1320403874.db2.gz JDPAYSJWBAHQSP-ZDUSSCGKSA-N 1 2 344.415 2.414 20 30 EEEDLO N#Cc1cnc2cnc(Cl)cc2c1NC1CN(c2cccc[nH+]2)C1 ZINC001161319699 1320456703 /nfs/dbraw/zinc/45/67/03/1320456703.db2.gz ZYOFZUZXNCIXLB-UHFFFAOYSA-N 1 2 336.786 2.272 20 30 EEEDLO C#Cc1ccc(C(=O)NCCC[NH2+]Cc2nnsc2Cl)cc1 ZINC001163739743 1321206929 /nfs/dbraw/zinc/20/69/29/1321206929.db2.gz CWPJJYMQPOAABZ-UHFFFAOYSA-N 1 2 334.832 2.083 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001204367252 1322130390 /nfs/dbraw/zinc/13/03/90/1322130390.db2.gz DQRLXKQBQIIMIM-XUVXKRRUSA-N 1 2 335.407 2.369 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001204367252 1322130393 /nfs/dbraw/zinc/13/03/93/1322130393.db2.gz DQRLXKQBQIIMIM-XUVXKRRUSA-N 1 2 335.407 2.369 20 30 EEEDLO C#CCCN(CCOC)c1nnc([C@@H]2CCC[N@@H+]2C)n1CC(=C)C ZINC001263301392 1322455130 /nfs/dbraw/zinc/45/51/30/1322455130.db2.gz OSHOLZYBTFGDAQ-INIZCTEOSA-N 1 2 331.464 2.097 20 30 EEEDLO C#CCCN(CCOC)c1nnc([C@@H]2CCC[N@H+]2C)n1CC(=C)C ZINC001263301392 1322455132 /nfs/dbraw/zinc/45/51/32/1322455132.db2.gz OSHOLZYBTFGDAQ-INIZCTEOSA-N 1 2 331.464 2.097 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC)C2)c1 ZINC001206075780 1323387307 /nfs/dbraw/zinc/38/73/07/1323387307.db2.gz DABLUFXBVFDDCH-HDMKZQKVSA-N 1 2 341.455 2.089 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC)C2)c1 ZINC001206075780 1323387314 /nfs/dbraw/zinc/38/73/14/1323387314.db2.gz DABLUFXBVFDDCH-HDMKZQKVSA-N 1 2 341.455 2.089 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCCO2)C1 ZINC001206142356 1323404324 /nfs/dbraw/zinc/40/43/24/1323404324.db2.gz KLACASLLMQXNQG-KWCYVHTRSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCCO2)C1 ZINC001206142356 1323404329 /nfs/dbraw/zinc/40/43/29/1323404329.db2.gz KLACASLLMQXNQG-KWCYVHTRSA-N 1 2 345.281 2.291 20 30 EEEDLO COC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206599805 1323541982 /nfs/dbraw/zinc/54/19/82/1323541982.db2.gz VJCKQRBIERAOJY-IIDMSEBBSA-N 1 2 348.874 2.411 20 30 EEEDLO COC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206599805 1323541987 /nfs/dbraw/zinc/54/19/87/1323541987.db2.gz VJCKQRBIERAOJY-IIDMSEBBSA-N 1 2 348.874 2.411 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC001206913296 1323696756 /nfs/dbraw/zinc/69/67/56/1323696756.db2.gz FIEVUAJMUKQYCX-GDBMZVCRSA-N 1 2 329.444 2.293 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC001206913296 1323696761 /nfs/dbraw/zinc/69/67/61/1323696761.db2.gz FIEVUAJMUKQYCX-GDBMZVCRSA-N 1 2 329.444 2.293 20 30 EEEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)CC(C)(C)O ZINC001206924875 1323709275 /nfs/dbraw/zinc/70/92/75/1323709275.db2.gz WEJRRYCJSXVRCI-RHSMWYFYSA-N 1 2 348.874 2.289 20 30 EEEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)CC(C)(C)O ZINC001206924875 1323709280 /nfs/dbraw/zinc/70/92/80/1323709280.db2.gz WEJRRYCJSXVRCI-RHSMWYFYSA-N 1 2 348.874 2.289 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC001207657142 1324073828 /nfs/dbraw/zinc/07/38/28/1324073828.db2.gz RZNSFGBZLJMRST-CQSZACIVSA-N 1 2 330.388 2.376 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CCC2(C[C@H]2C(=O)NCc2cnc[nH]2)CC1 ZINC001280288852 1324143531 /nfs/dbraw/zinc/14/35/31/1324143531.db2.gz WWIAFLVUGWQOSD-SFHVURJKSA-N 1 2 349.438 2.200 20 30 EEEDLO CN(C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2)c1ccccc1 ZINC001280314116 1324153389 /nfs/dbraw/zinc/15/33/89/1324153389.db2.gz ILDKFNHQZPBDLK-UHFFFAOYSA-N 1 2 349.438 2.271 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2coc(C)n2)C[C@H]1C ZINC001208151013 1324338958 /nfs/dbraw/zinc/33/89/58/1324338958.db2.gz WVWMKGHTHHAYSB-QBIMZIAESA-N 1 2 335.448 2.148 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2coc(C)n2)C[C@H]1C ZINC001208151013 1324338966 /nfs/dbraw/zinc/33/89/66/1324338966.db2.gz WVWMKGHTHHAYSB-QBIMZIAESA-N 1 2 335.448 2.148 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2nn(CC)nc2C)C[C@H]1C ZINC001208315160 1324416646 /nfs/dbraw/zinc/41/66/46/1324416646.db2.gz MUGSODWOAPGMBH-NVXWUHKLSA-N 1 2 345.491 2.127 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nn(CC)nc2C)C[C@H]1C ZINC001208315160 1324416650 /nfs/dbraw/zinc/41/66/50/1324416650.db2.gz MUGSODWOAPGMBH-NVXWUHKLSA-N 1 2 345.491 2.127 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cn(CC3CC3)nn2)C[C@H]1C ZINC001208392940 1324472797 /nfs/dbraw/zinc/47/27/97/1324472797.db2.gz GNJHTJIUYFAVGG-IIDMSEBBSA-N 1 2 345.491 2.227 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cn(CC3CC3)nn2)C[C@H]1C ZINC001208392940 1324472800 /nfs/dbraw/zinc/47/28/00/1324472800.db2.gz GNJHTJIUYFAVGG-IIDMSEBBSA-N 1 2 345.491 2.227 20 30 EEEDLO CC[C@@H](CC(F)(F)F)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001316608115 1324716263 /nfs/dbraw/zinc/71/62/63/1324716263.db2.gz WTSYSLUVJCPVNJ-UONOGXRCSA-N 1 2 334.382 2.148 20 30 EEEDLO CC[C@@H](CC(F)(F)F)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001316608115 1324716268 /nfs/dbraw/zinc/71/62/68/1324716268.db2.gz WTSYSLUVJCPVNJ-UONOGXRCSA-N 1 2 334.382 2.148 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=S)NCC3CCC3)CC2)cc1 ZINC001318378064 1332519223 /nfs/dbraw/zinc/51/92/23/1332519223.db2.gz AWHCQCPXAUCFAC-UHFFFAOYSA-N 1 2 328.485 2.350 20 30 EEEDLO NS(=O)(=O)c1ccccc1N[NH+]=Cc1ccc(N2CCCC2)cc1 ZINC001322092249 1333207848 /nfs/dbraw/zinc/20/78/48/1333207848.db2.gz MIXQMNWUHWCOIE-UHFFFAOYSA-N 1 2 344.440 2.380 20 30 EEEDLO C=CCN(C(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(C)C ZINC001334946432 1336315880 /nfs/dbraw/zinc/31/58/80/1336315880.db2.gz SPLKPIDLHWQXJI-KRWDZBQOSA-N 1 2 343.471 2.315 20 30 EEEDLO N#Cc1ccc(Br)nc1N1CCN(c2cccc[nH+]2)CC1 ZINC001337697841 1336728373 /nfs/dbraw/zinc/72/83/73/1336728373.db2.gz HXEKXKZBFQPKSS-UHFFFAOYSA-N 1 2 344.216 2.437 20 30 EEEDLO C=CC1CCN(c2nnc([C@H]3C[N@@H+](C(C)C)CCO3)n2CC)CC1 ZINC001339690141 1337053851 /nfs/dbraw/zinc/05/38/51/1337053851.db2.gz RWVBDRWPGGXVQX-MRXNPFEDSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CC1CCN(c2nnc([C@H]3C[N@H+](C(C)C)CCO3)n2CC)CC1 ZINC001339690141 1337053855 /nfs/dbraw/zinc/05/38/55/1337053855.db2.gz RWVBDRWPGGXVQX-MRXNPFEDSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC(C)(COC)CC1 ZINC001340734033 1337237461 /nfs/dbraw/zinc/23/74/61/1337237461.db2.gz YIEBITQCCQQXLB-UHFFFAOYSA-N 1 2 344.463 2.041 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(C3(c4ccccc4)CC3)n2CC)CC1 ZINC001343544224 1337336254 /nfs/dbraw/zinc/33/62/54/1337336254.db2.gz XOWIEMLRPRNYPF-UHFFFAOYSA-N 1 2 335.455 2.133 20 30 EEEDLO C#CCN(CC)c1nnc([C@H]2CCC[N@@H+]2C)n1C[C@@H]1CCCCO1 ZINC001344256979 1337386052 /nfs/dbraw/zinc/38/60/52/1337386052.db2.gz NSDBHKOEOMUCPM-JKSUJKDBSA-N 1 2 331.464 2.073 20 30 EEEDLO C#CCN(CC)c1nnc([C@H]2CCC[N@H+]2C)n1C[C@@H]1CCCCO1 ZINC001344256979 1337386054 /nfs/dbraw/zinc/38/60/54/1337386054.db2.gz NSDBHKOEOMUCPM-JKSUJKDBSA-N 1 2 331.464 2.073 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)C3CCC3)n2CC2CC2)CC1 ZINC001348074011 1337535573 /nfs/dbraw/zinc/53/55/73/1337535573.db2.gz VJODAWHDNXPJFV-OAHLLOKOSA-N 1 2 327.476 2.347 20 30 EEEDLO C=C[C@H](CC(=O)N(C)CCC[NH2+]Cc1c[nH]nn1)c1ccccc1 ZINC001575071983 1343728521 /nfs/dbraw/zinc/72/85/21/1343728521.db2.gz CZXCIHUIOPNBTC-OAHLLOKOSA-N 1 2 327.432 2.103 20 30 EEEDLO C=C[C@H](CC(=O)N(C)CCC[NH2+]Cc1cn[nH]n1)c1ccccc1 ZINC001575071983 1343728523 /nfs/dbraw/zinc/72/85/23/1343728523.db2.gz CZXCIHUIOPNBTC-OAHLLOKOSA-N 1 2 327.432 2.103 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC=C(C(=O)[O-])C3)CC2)cc1 ZINC001601099813 1350209396 /nfs/dbraw/zinc/20/93/96/1350209396.db2.gz CWEWZWMAARVVPX-GOSISDBHSA-N 1 2 325.412 2.286 20 30 EEEDLO CN(C)c1ccc(-c2nn[nH]n2)cc1C=[NH+]OCCC(F)(F)F ZINC001604696345 1350986655 /nfs/dbraw/zinc/98/66/55/1350986655.db2.gz DHWIIEMYSYCNHU-UHFFFAOYSA-N 1 2 328.298 2.236 20 30 EEEDLO N#C[C@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2CC2CC2)C1 ZINC001646923425 1353049550 /nfs/dbraw/zinc/04/95/50/1353049550.db2.gz YSNKQLVGGLIWAJ-MRXNPFEDSA-N 1 2 328.464 2.414 20 30 EEEDLO Cc1ncsc1C[NH+]1CC2(CN(C(=O)c3ccc(C#N)s3)C2)C1 ZINC001273699104 1368525195 /nfs/dbraw/zinc/52/51/95/1368525195.db2.gz JMLHSTJXHGNPAO-UHFFFAOYSA-N 1 2 344.465 2.343 20 30 EEEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1Cl)C2 ZINC001110582330 1368942169 /nfs/dbraw/zinc/94/21/69/1368942169.db2.gz BMIJRCMIODSIFY-BNOWGMLFSA-N 1 2 338.860 2.386 20 30 EEEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1Cl)C2 ZINC001110582330 1368942173 /nfs/dbraw/zinc/94/21/73/1368942173.db2.gz BMIJRCMIODSIFY-BNOWGMLFSA-N 1 2 338.860 2.386 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cn(C(C)(C)C)nn3)C[C@H]21 ZINC001114341104 1369569958 /nfs/dbraw/zinc/56/99/58/1369569958.db2.gz STXDMDKGLUFZRV-QLPKVWCKSA-N 1 2 345.491 2.182 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(C(C)(C)C)nn3)C[C@H]21 ZINC001114341104 1369569961 /nfs/dbraw/zinc/56/99/61/1369569961.db2.gz STXDMDKGLUFZRV-QLPKVWCKSA-N 1 2 345.491 2.182 20 30 EEEDLO C=CCC1(O)CC[NH+](CC(=O)c2c(C)[nH]c(C(=O)OCC)c2C)CC1 ZINC000886771518 1369667193 /nfs/dbraw/zinc/66/71/93/1369667193.db2.gz JGTMPRZACQVUMA-UHFFFAOYSA-N 1 2 348.443 2.394 20 30 EEEDLO CO[C@H](C)c1nc(C[N@@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)cs1 ZINC001072544718 1370736469 /nfs/dbraw/zinc/73/64/69/1370736469.db2.gz VIJLJVXFMSTZDK-CHWSQXEVSA-N 1 2 348.472 2.044 20 30 EEEDLO CO[C@H](C)c1nc(C[N@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)cs1 ZINC001072544718 1370736473 /nfs/dbraw/zinc/73/64/73/1370736473.db2.gz VIJLJVXFMSTZDK-CHWSQXEVSA-N 1 2 348.472 2.044 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@@H+]([C@H](C)c2nnc(C)[nH]2)C3)C1 ZINC001072963894 1370794128 /nfs/dbraw/zinc/79/41/28/1370794128.db2.gz AATOCLSTHPYIRV-CYBMUJFWSA-N 1 2 329.448 2.065 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@H+]([C@H](C)c2nnc(C)[nH]2)C3)C1 ZINC001072963894 1370794130 /nfs/dbraw/zinc/79/41/30/1370794130.db2.gz AATOCLSTHPYIRV-CYBMUJFWSA-N 1 2 329.448 2.065 20 30 EEEDLO C[C@H](CCCNc1cncc(C#N)n1)NC(=O)c1cccc2[nH+]ccn21 ZINC001115025228 1371488948 /nfs/dbraw/zinc/48/89/48/1371488948.db2.gz AXRUPSCWYCDRIT-CYBMUJFWSA-N 1 2 349.398 2.007 20 30 EEEDLO CC(C)Cc1nc(C[NH2+]C2(CNC(=O)[C@H](C)C#N)CCCCC2)no1 ZINC001115454522 1371626597 /nfs/dbraw/zinc/62/65/97/1371626597.db2.gz REEFAZALCISMOK-CQSZACIVSA-N 1 2 347.463 2.336 20 30 EEEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC001116401065 1371725404 /nfs/dbraw/zinc/72/54/04/1371725404.db2.gz BSFGPGVOTSJHRR-UHFFFAOYSA-N 1 2 335.454 2.392 20 30 EEEDLO C#CCOCC[N@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC001116401065 1371725408 /nfs/dbraw/zinc/72/54/08/1371725408.db2.gz BSFGPGVOTSJHRR-UHFFFAOYSA-N 1 2 335.454 2.392 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@@H](C)C1 ZINC001121594606 1371904562 /nfs/dbraw/zinc/90/45/62/1371904562.db2.gz UGMYVIZNYJAREV-OAGGEKHMSA-N 1 2 331.464 2.236 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@@H](C)C1 ZINC001121594606 1371904563 /nfs/dbraw/zinc/90/45/63/1371904563.db2.gz UGMYVIZNYJAREV-OAGGEKHMSA-N 1 2 331.464 2.236 20 30 EEEDLO Cc1nc(N[C@H](CCNC(=O)[C@@H](C)C#N)Cc2ccccc2)cc[nH+]1 ZINC001123694499 1372174383 /nfs/dbraw/zinc/17/43/83/1372174383.db2.gz YAQZQXXPUXXHBG-WMLDXEAASA-N 1 2 337.427 2.474 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001139525704 1372513020 /nfs/dbraw/zinc/51/30/20/1372513020.db2.gz ILOGYAKLMRYPSN-HUUCEWRRSA-N 1 2 349.406 2.157 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001139525704 1372513029 /nfs/dbraw/zinc/51/30/29/1372513029.db2.gz ILOGYAKLMRYPSN-HUUCEWRRSA-N 1 2 349.406 2.157 20 30 EEEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C(=O)OCC)[nH]2)C1 ZINC001140695110 1372646158 /nfs/dbraw/zinc/64/61/58/1372646158.db2.gz UBCUZAQPZSOZSY-ZDUSSCGKSA-N 1 2 335.404 2.068 20 30 EEEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C(=O)OCC)[nH]2)C1 ZINC001140695110 1372646162 /nfs/dbraw/zinc/64/61/62/1372646162.db2.gz UBCUZAQPZSOZSY-ZDUSSCGKSA-N 1 2 335.404 2.068 20 30 EEEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)CC[C@H]1CCOC1 ZINC001367505258 1374189031 /nfs/dbraw/zinc/18/90/31/1374189031.db2.gz GEGUPANXUGGTJD-HNNXBMFYSA-N 1 2 347.434 2.404 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)CC[C@H]1CCOC1 ZINC001367505258 1374189033 /nfs/dbraw/zinc/18/90/33/1374189033.db2.gz GEGUPANXUGGTJD-HNNXBMFYSA-N 1 2 347.434 2.404 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnc2cc(C)nn2c1C ZINC001367822074 1374274901 /nfs/dbraw/zinc/27/49/01/1374274901.db2.gz QCWGKKAZGMVWIM-GFCCVEGCSA-N 1 2 335.839 2.149 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnc2cc(C)nn2c1C ZINC001367822074 1374274903 /nfs/dbraw/zinc/27/49/03/1374274903.db2.gz QCWGKKAZGMVWIM-GFCCVEGCSA-N 1 2 335.839 2.149 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)COC3CCCC3)C2)c1 ZINC001369955687 1374734530 /nfs/dbraw/zinc/73/45/30/1374734530.db2.gz GBFMZSLHBXDLKD-MRXNPFEDSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)COC3CCCC3)C2)c1 ZINC001369955687 1374734537 /nfs/dbraw/zinc/73/45/37/1374734537.db2.gz GBFMZSLHBXDLKD-MRXNPFEDSA-N 1 2 345.418 2.347 20 30 EEEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)C1(C)CCOCC1 ZINC001374542360 1376920027 /nfs/dbraw/zinc/92/00/27/1376920027.db2.gz AEWNKZPFIVYJKE-UHFFFAOYSA-N 1 2 347.434 2.404 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)C1(C)CCOCC1 ZINC001374542360 1376920032 /nfs/dbraw/zinc/92/00/32/1376920032.db2.gz AEWNKZPFIVYJKE-UHFFFAOYSA-N 1 2 347.434 2.404 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)COCC3CC3)C2)c(F)c1 ZINC001376029433 1378246521 /nfs/dbraw/zinc/24/65/21/1378246521.db2.gz GYYHYWKGMSMBJT-KRWDZBQOSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)COCC3CC3)C2)c(F)c1 ZINC001376029433 1378246528 /nfs/dbraw/zinc/24/65/28/1378246528.db2.gz GYYHYWKGMSMBJT-KRWDZBQOSA-N 1 2 345.418 2.205 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cn3cccnc3n2)C1 ZINC001377650202 1379408715 /nfs/dbraw/zinc/40/87/15/1379408715.db2.gz LAVIJJJHGKMRIT-AWEZNQCLSA-N 1 2 347.850 2.408 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cn3cccnc3n2)C1 ZINC001377650202 1379408719 /nfs/dbraw/zinc/40/87/19/1379408719.db2.gz LAVIJJJHGKMRIT-AWEZNQCLSA-N 1 2 347.850 2.408 20 30 EEEDLO Cc1cc(C(=O)N(C)CC[N@H+](C)Cc2cc(C#N)ccc2F)on1 ZINC001379010512 1380386645 /nfs/dbraw/zinc/38/66/45/1380386645.db2.gz HHTZFISZFAZNIG-UHFFFAOYSA-N 1 2 330.363 2.198 20 30 EEEDLO Cc1cc(C(=O)N(C)CC[N@@H+](C)Cc2cc(C#N)ccc2F)on1 ZINC001379010512 1380386646 /nfs/dbraw/zinc/38/66/46/1380386646.db2.gz HHTZFISZFAZNIG-UHFFFAOYSA-N 1 2 330.363 2.198 20 30 EEEDLO C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[N@H+](C)Cc1cnc(Cl)s1 ZINC001381508414 1381631399 /nfs/dbraw/zinc/63/13/99/1381631399.db2.gz OLUSMHGJDIFRII-SECBINFHSA-N 1 2 337.836 2.247 20 30 EEEDLO C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[N@@H+](C)Cc1cnc(Cl)s1 ZINC001381508414 1381631401 /nfs/dbraw/zinc/63/14/01/1381631401.db2.gz OLUSMHGJDIFRII-SECBINFHSA-N 1 2 337.836 2.247 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2cnn3ccccc23)C1 ZINC001381788875 1381801286 /nfs/dbraw/zinc/80/12/86/1381801286.db2.gz QBDDCELGVAPYOS-ZDUSSCGKSA-N 1 2 332.835 2.066 20 30 EEEDLO Cc1cc(C)c(C(=O)N2CCC(CNC(=O)[C@H](C)C#N)CC2)c(C)[nH+]1 ZINC001385446800 1385578337 /nfs/dbraw/zinc/57/83/37/1385578337.db2.gz ALVZVIUTJBRZDP-CYBMUJFWSA-N 1 2 342.443 2.135 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC001752390649 1406292462 /nfs/dbraw/zinc/29/24/62/1406292462.db2.gz HGMMYVWTLALFBJ-AWEZNQCLSA-N 1 2 327.384 2.429 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC001752390649 1406292466 /nfs/dbraw/zinc/29/24/66/1406292466.db2.gz HGMMYVWTLALFBJ-AWEZNQCLSA-N 1 2 327.384 2.429 20 30 EEEDLO Cc1c[nH]c(C(=O)NCC[N@H+](Cc2cc(C#N)ccc2F)C2CC2)n1 ZINC001391182581 1389103739 /nfs/dbraw/zinc/10/37/39/1389103739.db2.gz JUFFYVLHMPBUDV-UHFFFAOYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1c[nH]c(C(=O)NCC[N@@H+](Cc2cc(C#N)ccc2F)C2CC2)n1 ZINC001391182581 1389103744 /nfs/dbraw/zinc/10/37/44/1389103744.db2.gz JUFFYVLHMPBUDV-UHFFFAOYSA-N 1 2 341.390 2.123 20 30 EEEDLO CC#CCCCC(=O)NC[C@H]1CCC[N@H+](Cc2nnc(C)s2)C1 ZINC001752784838 1406403592 /nfs/dbraw/zinc/40/35/92/1406403592.db2.gz KPVXKADBQRMSPZ-OAHLLOKOSA-N 1 2 334.489 2.368 20 30 EEEDLO CC#CCCCC(=O)NC[C@H]1CCC[N@@H+](Cc2nnc(C)s2)C1 ZINC001752784838 1406403595 /nfs/dbraw/zinc/40/35/95/1406403595.db2.gz KPVXKADBQRMSPZ-OAHLLOKOSA-N 1 2 334.489 2.368 20 30 EEEDLO C[C@@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)c1[nH]nc2c1CCC2 ZINC001392675079 1390148931 /nfs/dbraw/zinc/14/89/31/1390148931.db2.gz FCDQLENFPMWWIP-ZDUSSCGKSA-N 1 2 337.427 2.020 20 30 EEEDLO C[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)c1[nH]nc2c1CCC2 ZINC001392675079 1390148933 /nfs/dbraw/zinc/14/89/33/1390148933.db2.gz FCDQLENFPMWWIP-ZDUSSCGKSA-N 1 2 337.427 2.020 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)CC2CCOCC2)C1 ZINC001393108595 1390324267 /nfs/dbraw/zinc/32/42/67/1390324267.db2.gz VLHBMTOAVZZUGJ-HNNXBMFYSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)CC2CCOCC2)C1 ZINC001393108595 1390324270 /nfs/dbraw/zinc/32/42/70/1390324270.db2.gz VLHBMTOAVZZUGJ-HNNXBMFYSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C)CC(=O)Nc1ccnn1C(C)C ZINC001753059849 1406653135 /nfs/dbraw/zinc/65/31/35/1406653135.db2.gz XIVFQPQQBHEXGO-UHFFFAOYSA-N 1 2 349.479 2.053 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)CC(=O)Nc1ccnn1C(C)C ZINC001753059849 1406653143 /nfs/dbraw/zinc/65/31/43/1406653143.db2.gz XIVFQPQQBHEXGO-UHFFFAOYSA-N 1 2 349.479 2.053 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1F ZINC001753102442 1406688909 /nfs/dbraw/zinc/68/89/09/1406688909.db2.gz KEEKCSXCNSXISI-XJKSGUPXSA-N 1 2 336.382 2.084 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1F ZINC001753102442 1406688920 /nfs/dbraw/zinc/68/89/20/1406688920.db2.gz KEEKCSXCNSXISI-XJKSGUPXSA-N 1 2 336.382 2.084 20 30 EEEDLO Cc1cc(CCC(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)no1 ZINC001401382322 1397213292 /nfs/dbraw/zinc/21/32/92/1397213292.db2.gz GQXBTGUFIVXXSO-UHFFFAOYSA-N 1 2 340.427 2.378 20 30 EEEDLO Cc1cc(CCC(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)no1 ZINC001401382322 1397213294 /nfs/dbraw/zinc/21/32/94/1397213294.db2.gz GQXBTGUFIVXXSO-UHFFFAOYSA-N 1 2 340.427 2.378 20 30 EEEDLO CC(C)C#CC(=O)N[C@H](C)C[N@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC001754311825 1406888594 /nfs/dbraw/zinc/88/85/94/1406888594.db2.gz SJLJTMMZSWFDOT-OAHLLOKOSA-N 1 2 340.427 2.333 20 30 EEEDLO CC(C)C#CC(=O)N[C@H](C)C[N@@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC001754311825 1406888601 /nfs/dbraw/zinc/88/86/01/1406888601.db2.gz SJLJTMMZSWFDOT-OAHLLOKOSA-N 1 2 340.427 2.333 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CCc2ccncn2)C1 ZINC001402084578 1397755420 /nfs/dbraw/zinc/75/54/20/1397755420.db2.gz UXLGWAMSYNSGJY-LJQANCHMSA-N 1 2 349.438 2.062 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)CCc2ccncn2)C1 ZINC001402084578 1397755434 /nfs/dbraw/zinc/75/54/34/1397755434.db2.gz UXLGWAMSYNSGJY-LJQANCHMSA-N 1 2 349.438 2.062 20 30 EEEDLO C=CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(CC)cc1)CO2 ZINC001755065228 1407074653 /nfs/dbraw/zinc/07/46/53/1407074653.db2.gz GYMGZBYBTAJKDZ-GOSISDBHSA-N 1 2 344.455 2.025 20 30 EEEDLO CCN(CC#N)CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001755184118 1407189606 /nfs/dbraw/zinc/18/96/06/1407189606.db2.gz XBJYFINUWXFOSO-UHFFFAOYSA-N 1 2 331.464 2.011 20 30 EEEDLO C#CCCCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1noc(-c2ccoc2)n1 ZINC001755234739 1407243072 /nfs/dbraw/zinc/24/30/72/1407243072.db2.gz TVODLFZBHQZSMA-STQMWFEESA-N 1 2 330.388 2.116 20 30 EEEDLO C=CCCC(=O)NC[C@H](C)[N@H+](C)Cc1cc(C(F)(F)F)n(C)n1 ZINC001755294766 1407298642 /nfs/dbraw/zinc/29/86/42/1407298642.db2.gz JZQMXPHTWCHSRA-NSHDSACASA-N 1 2 332.370 2.342 20 30 EEEDLO C=CCCC(=O)NC[C@H](C)[N@@H+](C)Cc1cc(C(F)(F)F)n(C)n1 ZINC001755294766 1407298648 /nfs/dbraw/zinc/29/86/48/1407298648.db2.gz JZQMXPHTWCHSRA-NSHDSACASA-N 1 2 332.370 2.342 20 30 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1409333506 /nfs/dbraw/zinc/33/35/06/1409333506.db2.gz DLFGRRNUHRZXTJ-KGLIPLIRSA-N 1 2 332.448 2.050 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001757289501 1409627646 /nfs/dbraw/zinc/62/76/46/1409627646.db2.gz UVAIAHJEWAFKIC-JKSUJKDBSA-N 1 2 346.475 2.496 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H](C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001104163196 1410799124 /nfs/dbraw/zinc/79/91/24/1410799124.db2.gz HMIQRBTVQGZLQO-GJZGRUSLSA-N 1 2 345.491 2.231 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H](C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001104163196 1410799129 /nfs/dbraw/zinc/79/91/29/1410799129.db2.gz HMIQRBTVQGZLQO-GJZGRUSLSA-N 1 2 345.491 2.231 20 30 EEEDLO CCc1oncc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001032018393 782397809 /nfs/dbraw/zinc/39/78/09/782397809.db2.gz HTKOYYNVBXRORX-UHFFFAOYSA-N 1 2 341.386 2.089 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001112000573 761989925 /nfs/dbraw/zinc/98/99/25/761989925.db2.gz RVQBYKHOOPDJTG-AWEZNQCLSA-N 1 2 342.447 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/nfs/dbraw/zinc/72/50/18/791725018.db2.gz IQXILAHHMQGTQV-WBMJQRKESA-N 1 2 342.374 2.387 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001088954946 791725021 /nfs/dbraw/zinc/72/50/21/791725021.db2.gz IQXILAHHMQGTQV-WBMJQRKESA-N 1 2 342.374 2.387 20 30 EEEDLO CC(C)C[C@H](C(=O)N[C@H](C)CNc1ccc(C#N)nc1)n1cc[nH+]c1 ZINC001107978788 791787840 /nfs/dbraw/zinc/78/78/40/791787840.db2.gz OTGABMOBHXBEAD-RHSMWYFYSA-N 1 2 340.431 2.354 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC2(C1)CC[N@H+](Cc1coc(C)n1)C2 ZINC001147992116 792111149 /nfs/dbraw/zinc/11/11/49/792111149.db2.gz HPRUVUKQQFYSMQ-SFHVURJKSA-N 1 2 347.459 2.246 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC2(C1)CC[N@@H+](Cc1coc(C)n1)C2 ZINC001147992116 792111151 /nfs/dbraw/zinc/11/11/51/792111151.db2.gz HPRUVUKQQFYSMQ-SFHVURJKSA-N 1 2 347.459 2.246 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(C)n1CC)C2 ZINC001148087886 792172702 /nfs/dbraw/zinc/17/27/02/792172702.db2.gz HNPCUQMDLJZFBO-HUUCEWRRSA-N 1 2 345.491 2.099 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nnc(C)n1CC)C2 ZINC001148087886 792172708 /nfs/dbraw/zinc/17/27/08/792172708.db2.gz HNPCUQMDLJZFBO-HUUCEWRRSA-N 1 2 345.491 2.099 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nn(CC)nc1C)C2 ZINC001148147521 792188949 /nfs/dbraw/zinc/18/89/49/792188949.db2.gz VIRHQGWGJHGYTK-OAHLLOKOSA-N 1 2 345.491 2.243 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nn(CC)nc1C)C2 ZINC001148147521 792188955 /nfs/dbraw/zinc/18/89/55/792188955.db2.gz VIRHQGWGJHGYTK-OAHLLOKOSA-N 1 2 345.491 2.243 20 30 EEEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2ncccn2)C3)CC1 ZINC001148262021 792289473 /nfs/dbraw/zinc/28/94/73/792289473.db2.gz CTIBJGWNRHSWRR-UHFFFAOYSA-N 1 2 326.444 2.257 20 30 EEEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2ncccn2)C3)CC1 ZINC001148262021 792289479 /nfs/dbraw/zinc/28/94/79/792289479.db2.gz CTIBJGWNRHSWRR-UHFFFAOYSA-N 1 2 326.444 2.257 20 30 EEEDLO Cc1nc(N2C[C@@H](NC(=O)CSCC#N)CC[C@H]2C)c(C)c(C)[nH+]1 ZINC001089121407 792480884 /nfs/dbraw/zinc/48/08/84/792480884.db2.gz BEXJRSGVWQWFPK-ABAIWWIYSA-N 1 2 347.488 2.132 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CC[C@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089142471 792654632 /nfs/dbraw/zinc/65/46/32/792654632.db2.gz YKOVPPATPYDDFZ-SUMWQHHRSA-N 1 2 346.475 2.468 20 30 EEEDLO C[C@H]1CC2(CN1C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)CCN(CC#N)CC2 ZINC001086942057 793033516 /nfs/dbraw/zinc/03/35/16/793033516.db2.gz HWGTWDIOQLPZMK-LSDHHAIUSA-N 1 2 341.459 2.056 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H](C)[C@@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001089178377 793131891 /nfs/dbraw/zinc/13/18/91/793131891.db2.gz VERPTBSJLMFWHZ-KGLIPLIRSA-N 1 2 342.447 2.226 20 30 EEEDLO COCC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110123780 793268846 /nfs/dbraw/zinc/26/88/46/793268846.db2.gz QFJCTKXQSWYQRG-OAOYMFHYSA-N 1 2 341.455 2.452 20 30 EEEDLO COCC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110123780 793268856 /nfs/dbraw/zinc/26/88/56/793268856.db2.gz QFJCTKXQSWYQRG-OAOYMFHYSA-N 1 2 341.455 2.452 20 30 EEEDLO Cc1nc(N2CCC[C@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)c(C)c(C)[nH+]1 ZINC001064557570 793345368 /nfs/dbraw/zinc/34/53/68/793345368.db2.gz MWHFHMMTRNTVRG-DJJJIMSYSA-N 1 2 341.459 2.380 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1O ZINC001092163781 793618729 /nfs/dbraw/zinc/61/87/29/793618729.db2.gz HAZRUMPMQZKHSN-HOTGVXAUSA-N 1 2 344.459 2.075 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1O ZINC001092164294 793619449 /nfs/dbraw/zinc/61/94/49/793619449.db2.gz MDZXFOBAQQDERJ-CVEARBPZSA-N 1 2 346.475 2.321 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](Nc2ccc(C#N)nc2)C[C@@H]1C ZINC001064789276 793764020 /nfs/dbraw/zinc/76/40/20/793764020.db2.gz USTDHTZOHLGYDM-JSGCOSHPSA-N 1 2 338.415 2.019 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)C1(C3CC3)CCC1)c1nccn12 ZINC001092384370 793879203 /nfs/dbraw/zinc/87/92/03/793879203.db2.gz GMOLYHKEHDOAGH-INIZCTEOSA-N 1 2 338.455 2.059 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)c1ccco1)c1nccn12 ZINC001092399671 793899845 /nfs/dbraw/zinc/89/98/45/793899845.db2.gz UQKAMBBSDWUAII-KGLIPLIRSA-N 1 2 326.400 2.038 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1sccc1F)c1nccn12 ZINC001092365254 793909767 /nfs/dbraw/zinc/90/97/67/793909767.db2.gz GARSBONXMDCRDX-LBPRGKRZSA-N 1 2 332.404 2.155 20 30 EEEDLO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC001032670254 794034848 /nfs/dbraw/zinc/03/48/48/794034848.db2.gz RIQRQKGVGBGWMA-IHRRRGAJSA-N 1 2 333.457 2.469 20 30 EEEDLO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC001032670254 794034855 /nfs/dbraw/zinc/03/48/55/794034855.db2.gz RIQRQKGVGBGWMA-IHRRRGAJSA-N 1 2 333.457 2.469 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOC1CCOCC1)C2 ZINC001109957797 806294642 /nfs/dbraw/zinc/29/46/42/806294642.db2.gz PTZZSUMDJGIVSV-KBMXLJTQSA-N 1 2 342.867 2.046 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOC1CCOCC1)C2 ZINC001109957797 806294652 /nfs/dbraw/zinc/29/46/52/806294652.db2.gz PTZZSUMDJGIVSV-KBMXLJTQSA-N 1 2 342.867 2.046 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)CN(c2cc(C)[nH+]c(CC)n2)CCO1 ZINC001092765768 794318504 /nfs/dbraw/zinc/31/85/04/794318504.db2.gz XOVIDHCLWRXTSA-IBGZPJMESA-N 1 2 346.475 2.271 20 30 EEEDLO C#CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1c1cccc(F)c1 ZINC001079183676 794463068 /nfs/dbraw/zinc/46/30/68/794463068.db2.gz OCGXSIDPHZECON-BFHYXJOUSA-N 1 2 346.299 2.243 20 30 EEEDLO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1c1cccc(F)c1 ZINC001079183676 794463074 /nfs/dbraw/zinc/46/30/74/794463074.db2.gz OCGXSIDPHZECON-BFHYXJOUSA-N 1 2 346.299 2.243 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001092984414 794501629 /nfs/dbraw/zinc/50/16/29/794501629.db2.gz XWQOQBORQZMPGI-OAGGEKHMSA-N 1 2 344.459 2.166 20 30 EEEDLO N#Cc1ccc(NC2(CNC(=O)Cn3cc[nH+]c3)CCCCC2)nc1 ZINC001093395264 795167470 /nfs/dbraw/zinc/16/74/70/795167470.db2.gz FTIUOPAVZBWVES-UHFFFAOYSA-N 1 2 338.415 2.081 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC(N(CC)C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001079855384 795284010 /nfs/dbraw/zinc/28/40/10/795284010.db2.gz XWBDLGCGFLPYPJ-AWEZNQCLSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC(N(CC)C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001079855384 795284012 /nfs/dbraw/zinc/28/40/12/795284012.db2.gz XWBDLGCGFLPYPJ-AWEZNQCLSA-N 1 2 344.459 2.004 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cc(CC)ccn3)CC2)C1 ZINC001093539571 795343174 /nfs/dbraw/zinc/34/31/74/795343174.db2.gz UVAQKBVCCJDYFM-UHFFFAOYSA-N 1 2 329.444 2.135 20 30 EEEDLO C=CCN1CC(OC2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001093546120 795360234 /nfs/dbraw/zinc/36/02/34/795360234.db2.gz HEXYWRXLAHDYHG-UHFFFAOYSA-N 1 2 340.427 2.054 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cc4c[nH]ccc-4n3)CC2)C1 ZINC001093546120 795360243 /nfs/dbraw/zinc/36/02/43/795360243.db2.gz HEXYWRXLAHDYHG-UHFFFAOYSA-N 1 2 340.427 2.054 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H](C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106305329 795372498 /nfs/dbraw/zinc/37/24/98/795372498.db2.gz YXHKZJLQLWNNIN-YJYMSZOUSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001077928318 795378413 /nfs/dbraw/zinc/37/84/13/795378413.db2.gz DRSOQLNIQMLEJY-CABCVRRESA-N 1 2 347.459 2.246 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3oc(CC)nc3C)CC2)C1 ZINC001093590858 795404465 /nfs/dbraw/zinc/40/44/65/795404465.db2.gz UALACIJSDBYLID-UHFFFAOYSA-N 1 2 333.432 2.037 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C)oc1C ZINC000993167793 795580201 /nfs/dbraw/zinc/58/02/01/795580201.db2.gz FZHMVDMFASQPIB-WFASDCNBSA-N 1 2 341.415 2.274 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C)oc1C ZINC000993167793 795580206 /nfs/dbraw/zinc/58/02/06/795580206.db2.gz FZHMVDMFASQPIB-WFASDCNBSA-N 1 2 341.415 2.274 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106443478 795598359 /nfs/dbraw/zinc/59/83/59/795598359.db2.gz YHUTWXDHRGEJOD-DZGCQCFKSA-N 1 2 332.448 2.253 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3nnc(C)o3)C[C@H]2C)cc1 ZINC001080244786 795752727 /nfs/dbraw/zinc/75/27/27/795752727.db2.gz MLRDMRDWIQOFLU-PBFPGSCMSA-N 1 2 338.411 2.171 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3nnc(C)o3)C[C@H]2C)cc1 ZINC001080244786 795752731 /nfs/dbraw/zinc/75/27/31/795752731.db2.gz MLRDMRDWIQOFLU-PBFPGSCMSA-N 1 2 338.411 2.171 20 30 EEEDLO C=C(C)CCC(=O)NCCNc1[nH+]c(C)nc(-n2cccn2)c1C ZINC001093906230 795799551 /nfs/dbraw/zinc/79/95/51/795799551.db2.gz QYQPVGUZEXISEP-UHFFFAOYSA-N 1 2 328.420 2.164 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CCN(CC(F)F)CC2)C1 ZINC001080335412 795858337 /nfs/dbraw/zinc/85/83/37/795858337.db2.gz GFPHUCMRAGKBHF-BXUZGUMPSA-N 1 2 349.853 2.153 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCN(CC(F)F)CC2)C1 ZINC001080335412 795858342 /nfs/dbraw/zinc/85/83/42/795858342.db2.gz GFPHUCMRAGKBHF-BXUZGUMPSA-N 1 2 349.853 2.153 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001108029677 795926712 /nfs/dbraw/zinc/92/67/12/795926712.db2.gz YKAUUSFXVCJIFI-PZJWPPBQSA-N 1 2 340.467 2.337 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001108029677 795926714 /nfs/dbraw/zinc/92/67/14/795926714.db2.gz YKAUUSFXVCJIFI-PZJWPPBQSA-N 1 2 340.467 2.337 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CCC3(CC3)CC2)[C@H](O)C1 ZINC001090435809 806462519 /nfs/dbraw/zinc/46/25/19/806462519.db2.gz KOVTTYBXZPHTHI-LSDHHAIUSA-N 1 2 326.868 2.261 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CCC3(CC3)CC2)[C@H](O)C1 ZINC001090435809 806462522 /nfs/dbraw/zinc/46/25/22/806462522.db2.gz KOVTTYBXZPHTHI-LSDHHAIUSA-N 1 2 326.868 2.261 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3CCCC[C@@H]3C)nn2)C1 ZINC001094314043 796079620 /nfs/dbraw/zinc/07/96/20/796079620.db2.gz MUVHIJZEFMIRIV-YOEHRIQHSA-N 1 2 331.464 2.153 20 30 EEEDLO C=CCCC1(C(=O)NCC[C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001078218892 796096705 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CC#CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2ccc(C)cc2Cl)C1 ZINC001108036479 796799377 /nfs/dbraw/zinc/79/93/77/796799377.db2.gz SQTPHOKOQMODQK-LJQANCHMSA-N 1 2 348.874 2.421 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1CC(C)(C)C1 ZINC001081622195 796816283 /nfs/dbraw/zinc/81/62/83/796816283.db2.gz CKFOAWSZNFRPOS-QZTJIDSGSA-N 1 2 341.455 2.310 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1CC(C)(C)C1 ZINC001081622195 796816287 /nfs/dbraw/zinc/81/62/87/796816287.db2.gz CKFOAWSZNFRPOS-QZTJIDSGSA-N 1 2 341.455 2.310 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C(C)=C1CCC1 ZINC001081647920 796832933 /nfs/dbraw/zinc/83/29/33/796832933.db2.gz JNNGEVALOXHNSO-RTBURBONSA-N 1 2 339.439 2.374 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C(C)=C1CCC1 ZINC001081647920 796832936 /nfs/dbraw/zinc/83/29/36/796832936.db2.gz JNNGEVALOXHNSO-RTBURBONSA-N 1 2 339.439 2.374 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1C=CC=CC=C1 ZINC001081748706 796889478 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EEEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccnc1)C2 ZINC001095101003 797349444 /nfs/dbraw/zinc/34/94/44/797349444.db2.gz ZASGXRZCXIXELD-QYZOEREBSA-N 1 2 332.407 2.489 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H](N(C)c2[nH+]cnc3c2cnn3C)C1 ZINC001095151319 797432306 /nfs/dbraw/zinc/43/23/06/797432306.db2.gz UHIIEYJBCSRDCF-KGLIPLIRSA-N 1 2 342.447 2.003 20 30 EEEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@H+](CC(=C)Cl)[C@@H]1C ZINC000994237050 797438627 /nfs/dbraw/zinc/43/86/27/797438627.db2.gz DTYUTEFRTYALBP-ZBFHGGJFSA-N 1 2 347.846 2.429 20 30 EEEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@@H+](CC(=C)Cl)[C@@H]1C ZINC000994237050 797438633 /nfs/dbraw/zinc/43/86/33/797438633.db2.gz DTYUTEFRTYALBP-ZBFHGGJFSA-N 1 2 347.846 2.429 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)on1 ZINC001095170103 797458576 /nfs/dbraw/zinc/45/85/76/797458576.db2.gz KJPDPTDUFYBUAO-UGFHNGPFSA-N 1 2 342.424 2.452 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)on1 ZINC001095170103 797458580 /nfs/dbraw/zinc/45/85/80/797458580.db2.gz KJPDPTDUFYBUAO-UGFHNGPFSA-N 1 2 342.424 2.452 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001002067345 797514344 /nfs/dbraw/zinc/51/43/44/797514344.db2.gz SLOHAAPGMTVHOC-UHFFFAOYSA-N 1 2 340.427 2.043 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001095207775 797516583 /nfs/dbraw/zinc/51/65/83/797516583.db2.gz WZYWUZLAFHIDQP-UHFFFAOYSA-N 1 2 342.447 2.004 20 30 EEEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001082524732 797577160 /nfs/dbraw/zinc/57/71/60/797577160.db2.gz IROBPFFUGASCHO-FXAINCCUSA-N 1 2 349.353 2.457 20 30 EEEDLO C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001082524732 797577165 /nfs/dbraw/zinc/57/71/65/797577165.db2.gz IROBPFFUGASCHO-FXAINCCUSA-N 1 2 349.353 2.457 20 30 EEEDLO N#Cc1ccc(Nc2cnn(CC[NH+]3CCOCC3)c2)cc1Cl ZINC001174491356 797767742 /nfs/dbraw/zinc/76/77/42/797767742.db2.gz GGOJOBKDBINSTD-UHFFFAOYSA-N 1 2 331.807 2.484 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(CCCC)cc3)[C@H]2C1 ZINC001083133079 797883645 /nfs/dbraw/zinc/88/36/45/797883645.db2.gz BLUYVSADTSJAKA-VQTJNVASSA-N 1 2 340.467 2.117 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(CCCC)cc3)[C@H]2C1 ZINC001083133079 797883653 /nfs/dbraw/zinc/88/36/53/797883653.db2.gz BLUYVSADTSJAKA-VQTJNVASSA-N 1 2 340.467 2.117 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)no1 ZINC001084175775 798026638 /nfs/dbraw/zinc/02/66/38/798026638.db2.gz WZWXBHYATIMAFG-MLGOLLRUSA-N 1 2 342.424 2.263 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)no1 ZINC001084175775 798026645 /nfs/dbraw/zinc/02/66/45/798026645.db2.gz WZWXBHYATIMAFG-MLGOLLRUSA-N 1 2 342.424 2.263 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(C(N)=O)cc2)[C@@H]1C ZINC000994501654 798099354 /nfs/dbraw/zinc/09/93/54/798099354.db2.gz BYRMMZODYQQMEK-XJKSGUPXSA-N 1 2 349.862 2.050 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(C(N)=O)cc2)[C@@H]1C ZINC000994501654 798099361 /nfs/dbraw/zinc/09/93/61/798099361.db2.gz BYRMMZODYQQMEK-XJKSGUPXSA-N 1 2 349.862 2.050 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@@H+](CC=C(Cl)Cl)C[C@H]32)c1 ZINC001084261420 798112184 /nfs/dbraw/zinc/11/21/84/798112184.db2.gz JIBLDWHSDVSSSJ-DGCLKSJQSA-N 1 2 339.226 2.352 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[N@H+](CC=C(Cl)Cl)C[C@H]32)c1 ZINC001084261420 798112188 /nfs/dbraw/zinc/11/21/88/798112188.db2.gz JIBLDWHSDVSSSJ-DGCLKSJQSA-N 1 2 339.226 2.352 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2ncccc2C)CC1 ZINC001002558229 798250291 /nfs/dbraw/zinc/25/02/91/798250291.db2.gz BQZCZKRVACRABJ-UHFFFAOYSA-N 1 2 338.249 2.493 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC001084577494 798286855 /nfs/dbraw/zinc/28/68/55/798286855.db2.gz OCNIWGHLUPXAMM-NVXWUHKLSA-N 1 2 347.503 2.180 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCCCC3)C[C@H]21 ZINC001084577494 798286857 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/nfs/dbraw/zinc/76/20/59/808762059.db2.gz VXPOANDWIVTUBS-VXGBXAGGSA-N 1 2 334.383 2.448 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(OCC)c(C)c2)CC1 ZINC001113392540 808879251 /nfs/dbraw/zinc/87/92/51/808879251.db2.gz IJJZOJXQIPQYQL-UHFFFAOYSA-N 1 2 332.444 2.354 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnn(CCCC)c2CC)CC1 ZINC001113517146 809118249 /nfs/dbraw/zinc/11/82/49/809118249.db2.gz IJQOKCPERXJOPO-UHFFFAOYSA-N 1 2 348.491 2.206 20 30 EEEDLO Cc1nc(N(C)[C@@H](C)CNC(=O)C#CC2CC2)c2c([nH+]1)CCCC2 ZINC001113585844 809282233 /nfs/dbraw/zinc/28/22/33/809282233.db2.gz OXXNXUONYQBHSG-ZDUSSCGKSA-N 1 2 326.444 2.018 20 30 EEEDLO C=CCCOCC(=O)N1CC[NH+](CCOc2cccc(C)c2)CC1 ZINC001113710198 809614225 /nfs/dbraw/zinc/61/42/25/809614225.db2.gz IMPVTPQMILWTJI-UHFFFAOYSA-N 1 2 332.444 2.111 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001113714461 809621556 /nfs/dbraw/zinc/62/15/56/809621556.db2.gz FQJSGEPFRWAFIY-MRXNPFEDSA-N 1 2 332.444 2.239 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(=O)Nc1cc(C)on1 ZINC001157705808 809831382 /nfs/dbraw/zinc/83/13/82/809831382.db2.gz KJCOEEBZRMUGFH-OAHLLOKOSA-N 1 2 348.447 2.201 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(=O)Nc1cc(C)on1 ZINC001157705808 809831384 /nfs/dbraw/zinc/83/13/84/809831384.db2.gz KJCOEEBZRMUGFH-OAHLLOKOSA-N 1 2 348.447 2.201 20 30 EEEDLO CC(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001113860983 809973462 /nfs/dbraw/zinc/97/34/62/809973462.db2.gz SEPIYQMWVFNDSW-MNZLEMJZSA-N 1 2 343.402 2.003 20 30 EEEDLO CC(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001113860983 809973464 /nfs/dbraw/zinc/97/34/64/809973464.db2.gz SEPIYQMWVFNDSW-MNZLEMJZSA-N 1 2 343.402 2.003 20 30 EEEDLO Cc1nc(N2CC[C@@H](C)[C@@H](NC(=O)C#CC(C)C)C2)c(C)c(C)[nH+]1 ZINC001114019211 810195089 /nfs/dbraw/zinc/19/50/89/810195089.db2.gz RBVLVJVXVJEOSV-DYVFJYSZSA-N 1 2 328.460 2.392 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cn3cnc(-c4ccccc4)n3)C2)nc1 ZINC000793590940 810422584 /nfs/dbraw/zinc/42/25/84/810422584.db2.gz NEZUZVIMQGFAAI-QGZVFWFLSA-N 1 2 346.394 2.323 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cn3cnc(-c4ccccc4)n3)C2)nc1 ZINC000793590940 810422590 /nfs/dbraw/zinc/42/25/90/810422590.db2.gz NEZUZVIMQGFAAI-QGZVFWFLSA-N 1 2 346.394 2.323 20 30 EEEDLO C=CC1(CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4nc(C)no4)C[C@H]32)CCCCC1 ZINC001114964953 810445723 /nfs/dbraw/zinc/44/57/23/810445723.db2.gz BVKLHEQCVHBTEJ-HWWDLCQESA-N 1 2 344.459 2.451 20 30 EEEDLO C=CC1(CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4nc(C)no4)C[C@H]32)CCCCC1 ZINC001114964953 810445731 /nfs/dbraw/zinc/44/57/31/810445731.db2.gz BVKLHEQCVHBTEJ-HWWDLCQESA-N 1 2 344.459 2.451 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCc2cc(Br)no2)cc1 ZINC000793833528 810555953 /nfs/dbraw/zinc/55/59/53/810555953.db2.gz XNECOAMNPGKBKD-UHFFFAOYSA-N 1 2 326.150 2.283 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@](C)(CC)CCCCC)[C@@H](n2ccnn2)C1 ZINC001129471012 810858937 /nfs/dbraw/zinc/85/89/37/810858937.db2.gz SDECYUPCRLBSPG-ZIFCJYIRSA-N 1 2 345.491 2.249 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@](C)(CC)CCCCC)[C@@H](n2ccnn2)C1 ZINC001129471012 810858944 /nfs/dbraw/zinc/85/89/44/810858944.db2.gz SDECYUPCRLBSPG-ZIFCJYIRSA-N 1 2 345.491 2.249 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@@H+](Cc3ccn(CC)n3)C2)C1 ZINC001131645602 813070227 /nfs/dbraw/zinc/07/02/27/813070227.db2.gz HRPYPLYMRIFDPB-VQIMIIECSA-N 1 2 346.475 2.061 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@H+](Cc3ccn(CC)n3)C2)C1 ZINC001131645602 813070236 /nfs/dbraw/zinc/07/02/36/813070236.db2.gz HRPYPLYMRIFDPB-VQIMIIECSA-N 1 2 346.475 2.061 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@](C)(OC)c1ccccc1F ZINC001437470451 1089801613 /nfs/dbraw/zinc/80/16/13/1089801613.db2.gz GPILRMORAWASNS-MRXNPFEDSA-N 1 2 328.815 2.488 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@](C)(OC)c1ccccc1F ZINC001437470451 1089801625 /nfs/dbraw/zinc/80/16/25/1089801625.db2.gz GPILRMORAWASNS-MRXNPFEDSA-N 1 2 328.815 2.488 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cnc2n[nH]c(C)c2c1)C1CC1 ZINC001437817963 1090411332 /nfs/dbraw/zinc/41/13/32/1090411332.db2.gz JGGZZZDVABADNF-UHFFFAOYSA-N 1 2 333.823 2.213 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cnc2n[nH]c(C)c2c1)C1CC1 ZINC001437817963 1090411334 /nfs/dbraw/zinc/41/13/34/1090411334.db2.gz JGGZZZDVABADNF-UHFFFAOYSA-N 1 2 333.823 2.213 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CCOC2CCOCC2)C1 ZINC001438265281 1090746714 /nfs/dbraw/zinc/74/67/14/1090746714.db2.gz GXNYLHXTZXEQLQ-OAHLLOKOSA-N 1 2 344.883 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCOC2CCOCC2)C1 ZINC001438265281 1090746717 /nfs/dbraw/zinc/74/67/17/1090746717.db2.gz GXNYLHXTZXEQLQ-OAHLLOKOSA-N 1 2 344.883 2.247 20 30 EEEDLO C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F)n1cccn1 ZINC001438853964 1091490513 /nfs/dbraw/zinc/49/05/13/1091490513.db2.gz GNZQXZOIYLDCIZ-AWEZNQCLSA-N 1 2 343.406 2.045 20 30 EEEDLO C[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F)n1cccn1 ZINC001438853964 1091490518 /nfs/dbraw/zinc/49/05/18/1091490518.db2.gz GNZQXZOIYLDCIZ-AWEZNQCLSA-N 1 2 343.406 2.045 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@H]1Cc2ccccc2O1 ZINC001438890109 1091534285 /nfs/dbraw/zinc/53/42/85/1091534285.db2.gz BOBORMVHVNEJRF-HXUWFJFHSA-N 1 2 349.434 2.452 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@H]1Cc2ccccc2O1 ZINC001438890109 1091534289 /nfs/dbraw/zinc/53/42/89/1091534289.db2.gz BOBORMVHVNEJRF-HXUWFJFHSA-N 1 2 349.434 2.452 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cccc(-n2cccn2)n1 ZINC001445828124 1091716636 /nfs/dbraw/zinc/71/66/36/1091716636.db2.gz WYTCCCDYKMKJKI-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cccc(-n2cccn2)n1 ZINC001445828124 1091716640 /nfs/dbraw/zinc/71/66/40/1091716640.db2.gz WYTCCCDYKMKJKI-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1ccn(C)c1 ZINC001502172442 1113626532 /nfs/dbraw/zinc/62/65/32/1113626532.db2.gz WURGKBAEMDZFBV-UHFFFAOYSA-N 1 2 328.254 2.328 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1ccn(C)c1 ZINC001502172442 1113626537 /nfs/dbraw/zinc/62/65/37/1113626537.db2.gz WURGKBAEMDZFBV-UHFFFAOYSA-N 1 2 328.254 2.328 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(-c2cnn(C)c2)o1 ZINC001506036605 1114363771 /nfs/dbraw/zinc/36/37/71/1114363771.db2.gz OJAJHURHEHHDQU-GFCCVEGCSA-N 1 2 336.823 2.483 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(-c2cnn(C)c2)o1 ZINC001506036605 1114363776 /nfs/dbraw/zinc/36/37/76/1114363776.db2.gz OJAJHURHEHHDQU-GFCCVEGCSA-N 1 2 336.823 2.483 20 30 EEEDLO C#CC[C@@H](CC)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC(=C)C ZINC001523763195 1119853962 /nfs/dbraw/zinc/85/39/62/1119853962.db2.gz XRLPZLOXNAUZIW-QGZVFWFLSA-N 1 2 345.491 2.140 20 30 EEEDLO N#Cc1ccc2nc(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)[nH]c2c1 ZINC001534357097 1123318956 /nfs/dbraw/zinc/31/89/56/1123318956.db2.gz APEJAGQYEXDQTD-UHFFFAOYSA-N 1 2 329.323 2.268 20 30 EEEDLO CC[N@@H+](CC(=O)N1CCc2cc(OC)c(OC)cc2C1)C[C@@H](C)C#N ZINC000049982454 214039156 /nfs/dbraw/zinc/03/91/56/214039156.db2.gz JGIJETHVIFSXEA-AWEZNQCLSA-N 1 2 345.443 2.070 20 30 EEEDLO CC[N@H+](CC(=O)N1CCc2cc(OC)c(OC)cc2C1)C[C@@H](C)C#N ZINC000049982454 214039159 /nfs/dbraw/zinc/03/91/59/214039159.db2.gz JGIJETHVIFSXEA-AWEZNQCLSA-N 1 2 345.443 2.070 20 30 EEEDLO C[N@@H+]1CCO[C@H](CNC(=O)CSc2nccn2C(C)(C)C)C1 ZINC000328685968 539758356 /nfs/dbraw/zinc/75/83/56/539758356.db2.gz FZPHRBUORCXNHJ-GFCCVEGCSA-N 1 2 326.466 2.017 20 30 EEEDLO C[N@H+]1CCO[C@H](CNC(=O)CSc2nccn2C(C)(C)C)C1 ZINC000328685968 539758362 /nfs/dbraw/zinc/75/83/62/539758362.db2.gz FZPHRBUORCXNHJ-GFCCVEGCSA-N 1 2 326.466 2.017 20 30 EEEDLO N#CCC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccco1 ZINC000081517803 237000959 /nfs/dbraw/zinc/00/09/59/237000959.db2.gz NOUZAISZDSRSLB-UHFFFAOYSA-N 1 2 340.383 2.123 20 30 EEEDLO N#CCC[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccco1 ZINC000081517803 237000970 /nfs/dbraw/zinc/00/09/70/237000970.db2.gz NOUZAISZDSRSLB-UHFFFAOYSA-N 1 2 340.383 2.123 20 30 EEEDLO Cc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c(Cl)c1 ZINC000191200917 237248247 /nfs/dbraw/zinc/24/82/47/237248247.db2.gz VQXRZACQRJHGIS-UHFFFAOYSA-N 1 2 335.835 2.337 20 30 EEEDLO N#CCCN(C(=O)C[NH+]1CCC(O)(C(F)F)CC1)c1ccccc1 ZINC000426250726 241247804 /nfs/dbraw/zinc/24/78/04/241247804.db2.gz JMIUTHDRQUDHFI-UHFFFAOYSA-N 1 2 337.370 2.025 20 30 EEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000438841081 242052905 /nfs/dbraw/zinc/05/29/05/242052905.db2.gz ONDSRJUFORGZTK-NVXWUHKLSA-N 1 2 330.432 2.051 20 30 EEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000438841081 242052912 /nfs/dbraw/zinc/05/29/12/242052912.db2.gz ONDSRJUFORGZTK-NVXWUHKLSA-N 1 2 330.432 2.051 20 30 EEEDLO Cc1nc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)sc1C ZINC000246304787 243226827 /nfs/dbraw/zinc/22/68/27/243226827.db2.gz DIZBFOQRQFMLNZ-LLVKDONJSA-N 1 2 328.445 2.132 20 30 EEEDLO Cc1nc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)sc1C ZINC000246304787 243226831 /nfs/dbraw/zinc/22/68/31/243226831.db2.gz DIZBFOQRQFMLNZ-LLVKDONJSA-N 1 2 328.445 2.132 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000491554985 246073255 /nfs/dbraw/zinc/07/32/55/246073255.db2.gz NWXXABGPUCQAMN-YESZJQIVSA-N 1 2 330.476 2.231 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000491554985 246073259 /nfs/dbraw/zinc/07/32/59/246073259.db2.gz NWXXABGPUCQAMN-YESZJQIVSA-N 1 2 330.476 2.231 20 30 EEEDLO N#CCOc1ccc(/C=C\C(=O)NC[C@H]2CCCn3cc[nH+]c32)cc1 ZINC000492217285 246353406 /nfs/dbraw/zinc/35/34/06/246353406.db2.gz BLKKDMCTPQYQMS-KQQSKNTNSA-N 1 2 336.395 2.492 20 30 EEEDLO C#CCOc1ccccc1C[NH+]1CCN(c2nc(C)ns2)CC1 ZINC000093663554 218240894 /nfs/dbraw/zinc/24/08/94/218240894.db2.gz HPLSMZLZBAOAMP-UHFFFAOYSA-N 1 2 328.441 2.181 20 30 EEEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)[nH]1 ZINC000268535999 252003582 /nfs/dbraw/zinc/00/35/82/252003582.db2.gz ZVFFUUIDPLTUIP-IUODEOHRSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)[nH]1 ZINC000268535999 252003585 /nfs/dbraw/zinc/00/35/85/252003585.db2.gz ZVFFUUIDPLTUIP-IUODEOHRSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000268535999 252003586 /nfs/dbraw/zinc/00/35/86/252003586.db2.gz ZVFFUUIDPLTUIP-IUODEOHRSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000268535999 252003588 /nfs/dbraw/zinc/00/35/88/252003588.db2.gz ZVFFUUIDPLTUIP-IUODEOHRSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)n[nH]1 ZINC000268535999 252003591 /nfs/dbraw/zinc/00/35/91/252003591.db2.gz ZVFFUUIDPLTUIP-IUODEOHRSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)n[nH]1 ZINC000268535999 252003594 /nfs/dbraw/zinc/00/35/94/252003594.db2.gz ZVFFUUIDPLTUIP-IUODEOHRSA-N 1 2 338.415 2.191 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)C[C@H]2CN(c3ccccc3)CCO2)n1 ZINC000491735198 533215299 /nfs/dbraw/zinc/21/52/99/533215299.db2.gz LUSICSYAUCMNGY-FQEVSTJZSA-N 1 2 338.455 2.244 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)C[C@H]2CN(c3ccccc3)CCO2)n1 ZINC000491735198 533215302 /nfs/dbraw/zinc/21/53/02/533215302.db2.gz LUSICSYAUCMNGY-FQEVSTJZSA-N 1 2 338.455 2.244 20 30 EEEDLO CN(C)c1ncc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000271046239 256202720 /nfs/dbraw/zinc/20/27/20/256202720.db2.gz RHOUZSLGIHVGOP-UHFFFAOYSA-N 1 2 341.484 2.399 20 30 EEEDLO CN(C)c1ncc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000271046239 256202721 /nfs/dbraw/zinc/20/27/21/256202721.db2.gz RHOUZSLGIHVGOP-UHFFFAOYSA-N 1 2 341.484 2.399 20 30 EEEDLO C#C[C@H](C)N(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000491816374 533282007 /nfs/dbraw/zinc/28/20/07/533282007.db2.gz SEDBETFBEMCRNJ-XJKSGUPXSA-N 1 2 326.400 2.181 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](C[C@@H](O)c3c(F)cccc3F)CC2)c1 ZINC000051877500 132182548 /nfs/dbraw/zinc/18/25/48/132182548.db2.gz USAUGZNYZLPKLL-MRXNPFEDSA-N 1 2 344.365 2.087 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057289894 132199366 /nfs/dbraw/zinc/19/93/66/132199366.db2.gz XCJVZSJQYQKWCC-GOSISDBHSA-N 1 2 332.423 2.002 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000121434931 292263968 /nfs/dbraw/zinc/26/39/68/292263968.db2.gz FCLKBSLXTHIZJX-ZDUSSCGKSA-N 1 2 334.376 2.336 20 30 EEEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](COC(F)F)C2)c(C#N)c1C ZINC000353021911 162396665 /nfs/dbraw/zinc/39/66/65/162396665.db2.gz KXSFLMQKUIUSBE-LLVKDONJSA-N 1 2 327.331 2.268 20 30 EEEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](COC(F)F)C2)c(C#N)c1C ZINC000353021911 162396668 /nfs/dbraw/zinc/39/66/68/162396668.db2.gz KXSFLMQKUIUSBE-LLVKDONJSA-N 1 2 327.331 2.268 20 30 EEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356146243 163349087 /nfs/dbraw/zinc/34/90/87/163349087.db2.gz FJDOGGHEMMAAIJ-AWEZNQCLSA-N 1 2 346.431 2.188 20 30 EEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356146243 163349090 /nfs/dbraw/zinc/34/90/90/163349090.db2.gz FJDOGGHEMMAAIJ-AWEZNQCLSA-N 1 2 346.431 2.188 20 30 EEEDLO CC(C)(C)NC(=O)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000360301286 164279437 /nfs/dbraw/zinc/27/94/37/164279437.db2.gz RUOQHCLZDWCKEL-UHFFFAOYSA-N 1 2 330.432 2.063 20 30 EEEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCN(c3ccccc3)C(=O)C2)c1 ZINC000360627570 164354699 /nfs/dbraw/zinc/35/46/99/164354699.db2.gz LTGRTHONYGYWQK-UHFFFAOYSA-N 1 2 348.406 2.236 20 30 EEEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCN(c3ccccc3)C(=O)C2)c1 ZINC000360627570 164354700 /nfs/dbraw/zinc/35/47/00/164354700.db2.gz LTGRTHONYGYWQK-UHFFFAOYSA-N 1 2 348.406 2.236 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000368090674 166048980 /nfs/dbraw/zinc/04/89/80/166048980.db2.gz SIHPMLFRWSJAST-OAHLLOKOSA-N 1 2 329.791 2.294 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000368090674 166048981 /nfs/dbraw/zinc/04/89/81/166048981.db2.gz SIHPMLFRWSJAST-OAHLLOKOSA-N 1 2 329.791 2.294 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCOCC3)CC2)cc1 ZINC000369693804 166314545 /nfs/dbraw/zinc/31/45/45/166314545.db2.gz VLROLUGRBMHPTI-GOSISDBHSA-N 1 2 327.428 2.019 20 30 EEEDLO COC(=O)C1=C(C)O[C@H](C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000374865618 167054960 /nfs/dbraw/zinc/05/49/60/167054960.db2.gz RVJSSDNVCCLILT-FUHWJXTLSA-N 1 2 342.395 2.167 20 30 EEEDLO COC(=O)C1=C(C)O[C@H](C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000374865618 167054962 /nfs/dbraw/zinc/05/49/62/167054962.db2.gz RVJSSDNVCCLILT-FUHWJXTLSA-N 1 2 342.395 2.167 20 30 EEEDLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527688342 269896997 /nfs/dbraw/zinc/89/69/97/269896997.db2.gz YEZYKGNCARTYJQ-YYAJDYIMSA-N 1 2 341.455 2.262 20 30 EEEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000332028826 267012215 /nfs/dbraw/zinc/01/22/15/267012215.db2.gz HGDZVQHBRWPRIL-SJLPKXTDSA-N 1 2 340.471 2.375 20 30 EEEDLO C[C@@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000288340291 267022411 /nfs/dbraw/zinc/02/24/11/267022411.db2.gz MDVJHQLDXCXLMV-PBHICJAKSA-N 1 2 344.440 2.168 20 30 EEEDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000451930507 267230663 /nfs/dbraw/zinc/23/06/63/267230663.db2.gz JKFONMYDGFQZCT-LBPRGKRZSA-N 1 2 341.864 2.316 20 30 EEEDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000451930507 267230665 /nfs/dbraw/zinc/23/06/65/267230665.db2.gz JKFONMYDGFQZCT-LBPRGKRZSA-N 1 2 341.864 2.316 20 30 EEEDLO Cc1cc(C[NH+]2CCN(c3nc4c(cc3C#N)CCCC4)CC2)on1 ZINC000291526889 267324741 /nfs/dbraw/zinc/32/47/41/267324741.db2.gz ZBIQOWWZQUJFIG-UHFFFAOYSA-N 1 2 337.427 2.451 20 30 EEEDLO Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000277506596 267355211 /nfs/dbraw/zinc/35/52/11/267355211.db2.gz BEGUUMIQHMTIKE-DYVFJYSZSA-N 1 2 344.440 2.335 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)c(N)n3)CC2)cc1F ZINC000517587814 267624276 /nfs/dbraw/zinc/62/42/76/267624276.db2.gz HNKQMUNLBPCKBS-UHFFFAOYSA-N 1 2 341.390 2.005 20 30 EEEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)c1cnn(C)c1C#N ZINC000527002648 268080663 /nfs/dbraw/zinc/08/06/63/268080663.db2.gz XSCQJJYCKHTTBI-CQSZACIVSA-N 1 2 348.410 2.255 20 30 EEEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCO[C@H](C4CCC4)C3)C2=O)cc1 ZINC000333687594 268124325 /nfs/dbraw/zinc/12/43/25/268124325.db2.gz AOJHPFKYMZNDNU-MSOLQXFVSA-N 1 2 325.412 2.164 20 30 EEEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCO[C@H](C4CCC4)C3)C2=O)cc1 ZINC000333687594 268124328 /nfs/dbraw/zinc/12/43/28/268124328.db2.gz AOJHPFKYMZNDNU-MSOLQXFVSA-N 1 2 325.412 2.164 20 30 EEEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCOC[C@H](C3CCC3)C2)C1=O ZINC000292042429 268304295 /nfs/dbraw/zinc/30/42/95/268304295.db2.gz AROPIZGPZAYTTB-HZPDHXFCSA-N 1 2 345.468 2.474 20 30 EEEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCOC[C@H](C3CCC3)C2)C1=O ZINC000292042429 268304297 /nfs/dbraw/zinc/30/42/97/268304297.db2.gz AROPIZGPZAYTTB-HZPDHXFCSA-N 1 2 345.468 2.474 20 30 EEEDLO COCC1(C#N)CCN(c2nc(N(C)C)c3ccccc3[nH+]2)CC1 ZINC000450519483 277197473 /nfs/dbraw/zinc/19/74/73/277197473.db2.gz SKLWSHUNLSKIDB-UHFFFAOYSA-N 1 2 325.416 2.452 20 30 EEEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000151248853 279726307 /nfs/dbraw/zinc/72/63/07/279726307.db2.gz XYHFXEFKNNWYCR-WFASDCNBSA-N 1 2 348.403 2.166 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3O)CC2)cc1 ZINC000299678641 294802392 /nfs/dbraw/zinc/80/23/92/294802392.db2.gz QSWPWPVCFBXOBV-UHFFFAOYSA-N 1 2 335.407 2.151 20 30 EEEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCOC4(CCCC4)C3)C2=O)cc1 ZINC000139804569 303194694 /nfs/dbraw/zinc/19/46/94/303194694.db2.gz YGDYEUDBKNILTE-KRWDZBQOSA-N 1 2 325.412 2.309 20 30 EEEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCOC4(CCCC4)C3)C2=O)cc1 ZINC000139804569 303194697 /nfs/dbraw/zinc/19/46/97/303194697.db2.gz YGDYEUDBKNILTE-KRWDZBQOSA-N 1 2 325.412 2.309 20 30 EEEDLO CN1CC[N@H+](C)C[C@@H]1c1noc(CSc2ccc(C#N)cc2)n1 ZINC000545081046 318201954 /nfs/dbraw/zinc/20/19/54/318201954.db2.gz FYOYOFKCYHDXBV-CQSZACIVSA-N 1 2 329.429 2.152 20 30 EEEDLO CN1CC[N@@H+](C)C[C@@H]1c1noc(CSc2ccc(C#N)cc2)n1 ZINC000545081046 318201956 /nfs/dbraw/zinc/20/19/56/318201956.db2.gz FYOYOFKCYHDXBV-CQSZACIVSA-N 1 2 329.429 2.152 20 30 EEEDLO N#Cc1nccc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)n1 ZINC000563898234 319054046 /nfs/dbraw/zinc/05/40/46/319054046.db2.gz GGENHQCCJCGDHZ-UHFFFAOYSA-N 1 2 336.424 2.280 20 30 EEEDLO COc1c(N)[nH+]cnc1N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000567249713 319363639 /nfs/dbraw/zinc/36/36/39/319363639.db2.gz QPOBCTWWBMQPKT-LBPRGKRZSA-N 1 2 342.378 2.159 20 30 EEEDLO COc1c(N)nc[nH+]c1N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000567249713 319363641 /nfs/dbraw/zinc/36/36/41/319363641.db2.gz QPOBCTWWBMQPKT-LBPRGKRZSA-N 1 2 342.378 2.159 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ccccc2O)CC1 ZINC000042251209 463553163 /nfs/dbraw/zinc/55/31/63/463553163.db2.gz QUKSMJQXSZLKJO-INIZCTEOSA-N 1 2 331.460 2.327 20 30 EEEDLO CC[C@H]1C[N@H+](CCNC(=O)c2cccc(SCC#N)c2)CCO1 ZINC000347588695 465108263 /nfs/dbraw/zinc/10/82/63/465108263.db2.gz AZQZWBNAXBMVIW-HNNXBMFYSA-N 1 2 333.457 2.143 20 30 EEEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cccc(SCC#N)c2)CCO1 ZINC000347588695 465108270 /nfs/dbraw/zinc/10/82/70/465108270.db2.gz AZQZWBNAXBMVIW-HNNXBMFYSA-N 1 2 333.457 2.143 20 30 EEEDLO N#Cc1ccc(NCC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000339180198 465129100 /nfs/dbraw/zinc/12/91/00/465129100.db2.gz FJCXPBVPMHCOER-UHFFFAOYSA-N 1 2 335.411 2.282 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@@H]2C)cc1 ZINC000355446734 465249286 /nfs/dbraw/zinc/24/92/86/465249286.db2.gz VFCZZLZFJJWJGX-MAUKXSAKSA-N 1 2 330.428 2.187 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](CCC)c2ccccc2)C1=O ZINC000337227598 465255426 /nfs/dbraw/zinc/25/54/26/465255426.db2.gz QGNVGJIYFVPNSP-QZTJIDSGSA-N 1 2 343.471 2.363 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](CCC)c2ccccc2)C1=O ZINC000337227598 465255427 /nfs/dbraw/zinc/25/54/27/465255427.db2.gz QGNVGJIYFVPNSP-QZTJIDSGSA-N 1 2 343.471 2.363 20 30 EEEDLO C=CC[C@H](CO)CNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000341685919 465253686 /nfs/dbraw/zinc/25/36/86/465253686.db2.gz UIPXVISCPGTABU-BBRMVZONSA-N 1 2 346.406 2.132 20 30 EEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1scnc1C1CC1 ZINC000329229794 465275316 /nfs/dbraw/zinc/27/53/16/465275316.db2.gz CXTAMNAGWHHFSZ-AAEUAGOBSA-N 1 2 336.461 2.361 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000341997240 465284283 /nfs/dbraw/zinc/28/42/83/465284283.db2.gz WNRWTUJIHZDORA-GFCCVEGCSA-N 1 2 336.823 2.314 20 30 EEEDLO O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000329341243 465304792 /nfs/dbraw/zinc/30/47/92/465304792.db2.gz RZIFUXQXJZYOHS-ZBFHGGJFSA-N 1 2 340.489 2.253 20 30 EEEDLO Cc1cc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)c(C)s1 ZINC000521394995 468309336 /nfs/dbraw/zinc/30/93/36/468309336.db2.gz MNRPSVFYORQFCU-UHFFFAOYSA-N 1 2 343.452 2.279 20 30 EEEDLO C#CCNC(=O)C1CC[NH+](Cc2csc([C@H](C)OCC)n2)CC1 ZINC000491154552 468310006 /nfs/dbraw/zinc/31/00/06/468310006.db2.gz JYAQJYXPWMPTQC-ZDUSSCGKSA-N 1 2 335.473 2.202 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCCOCC)CC1 ZINC000491153735 468310058 /nfs/dbraw/zinc/31/00/58/468310058.db2.gz CVTQANNNVLKNIW-UHFFFAOYSA-N 1 2 347.507 2.049 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ncccc3C)n2CC(C)C)CC1 ZINC000491154588 468311188 /nfs/dbraw/zinc/31/11/88/468311188.db2.gz KJCNQTDENUSFOX-UHFFFAOYSA-N 1 2 338.459 2.060 20 30 EEEDLO COc1cc(C#N)ccc1OCCCC(=O)NCCCn1cc[nH+]c1 ZINC000046728185 462698969 /nfs/dbraw/zinc/69/89/69/462698969.db2.gz UXHBDYITOHWEAT-UHFFFAOYSA-N 1 2 342.399 2.129 20 30 EEEDLO CN(C)c1[nH+]cccc1CNC(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000076229205 462827713 /nfs/dbraw/zinc/82/77/13/462827713.db2.gz PDHRYNASQBJUMU-YFHOEESVSA-N 1 2 336.395 2.380 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000134949275 463100249 /nfs/dbraw/zinc/10/02/49/463100249.db2.gz FWNZCYIOYRVBST-LJQANCHMSA-N 1 2 329.444 2.032 20 30 EEEDLO C=CC[N@@H+](C)[C@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000121283773 463110308 /nfs/dbraw/zinc/11/03/08/463110308.db2.gz APQAGIPQTXXQBI-SNVBAGLBSA-N 1 2 341.333 2.497 20 30 EEEDLO C=CC[N@H+](C)[C@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000121283773 463110312 /nfs/dbraw/zinc/11/03/12/463110312.db2.gz APQAGIPQTXXQBI-SNVBAGLBSA-N 1 2 341.333 2.497 20 30 EEEDLO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)c1ccccc1C#N)C2 ZINC000157539474 463141264 /nfs/dbraw/zinc/14/12/64/463141264.db2.gz ZECFPIJZWKNCML-UHFFFAOYSA-N 1 2 344.440 2.162 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000121951544 463223002 /nfs/dbraw/zinc/22/30/02/463223002.db2.gz APJRLWJBZGAXJO-MRXNPFEDSA-N 1 2 331.416 2.144 20 30 EEEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1 ZINC000030002733 463284114 /nfs/dbraw/zinc/28/41/14/463284114.db2.gz JBNQAEXKVPSOMR-UHFFFAOYSA-N 1 2 349.390 2.245 20 30 EEEDLO CCc1ccccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000080165120 463290515 /nfs/dbraw/zinc/29/05/15/463290515.db2.gz VAFPLOHOJGUGLS-UHFFFAOYSA-N 1 2 330.432 2.329 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000030699424 463309762 /nfs/dbraw/zinc/30/97/62/463309762.db2.gz WRHYGLNWBXOHHA-LJQANCHMSA-N 1 2 335.407 2.362 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)C1=O ZINC000491355157 468356710 /nfs/dbraw/zinc/35/67/10/468356710.db2.gz OAKRHTCANUWCFA-ZNMIVQPWSA-N 1 2 337.464 2.103 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)C1=O ZINC000491355157 468356716 /nfs/dbraw/zinc/35/67/16/468356716.db2.gz OAKRHTCANUWCFA-ZNMIVQPWSA-N 1 2 337.464 2.103 20 30 EEEDLO C#CCN(CC)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000056583025 463410856 /nfs/dbraw/zinc/41/08/56/463410856.db2.gz PDJCRUZBFRENAH-INIZCTEOSA-N 1 2 326.400 2.183 20 30 EEEDLO Cc1ccc([C@H](CNC(=O)N(C)C[C@@H](C)C#N)[NH+]2CCOCC2)cc1 ZINC000057011797 463443614 /nfs/dbraw/zinc/44/36/14/463443614.db2.gz LCUMKTVEZOIFND-WMZOPIPTSA-N 1 2 344.459 2.169 20 30 EEEDLO N#Cc1nc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[nH]c1C#N ZINC000057155946 463459080 /nfs/dbraw/zinc/45/90/80/463459080.db2.gz OWXVTDANMQOEBS-CQSZACIVSA-N 1 2 334.383 2.004 20 30 EEEDLO N#Cc1nc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH]c1C#N ZINC000057155946 463459086 /nfs/dbraw/zinc/45/90/86/463459086.db2.gz OWXVTDANMQOEBS-CQSZACIVSA-N 1 2 334.383 2.004 20 30 EEEDLO C=CCc1cc(C[N@@H+](CC(=O)OC)C2CCOCC2)cc(OC)c1O ZINC000537647237 468362440 /nfs/dbraw/zinc/36/24/40/468362440.db2.gz JUVIKCQNKZTBIT-UHFFFAOYSA-N 1 2 349.427 2.283 20 30 EEEDLO C=CCc1cc(C[N@H+](CC(=O)OC)C2CCOCC2)cc(OC)c1O ZINC000537647237 468362446 /nfs/dbraw/zinc/36/24/46/468362446.db2.gz JUVIKCQNKZTBIT-UHFFFAOYSA-N 1 2 349.427 2.283 20 30 EEEDLO Cc1ccc(C(=O)N2CCN(CC#N)CC2)cc1Oc1cc[nH+]cc1 ZINC000073100595 463583673 /nfs/dbraw/zinc/58/36/73/463583673.db2.gz HUBDHVFKLKEMFW-UHFFFAOYSA-N 1 2 336.395 2.464 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184886655 463712042 /nfs/dbraw/zinc/71/20/42/463712042.db2.gz CNHHLUDRMIHGOE-OLZOCXBDSA-N 1 2 342.399 2.393 20 30 EEEDLO Cc1ccc([C@H](CNS(=O)(=O)c2ccc(C#N)o2)[NH+]2CCCC2)o1 ZINC000287102630 463800886 /nfs/dbraw/zinc/80/08/86/463800886.db2.gz ZBCXTUTZJNFPEU-AWEZNQCLSA-N 1 2 349.412 2.168 20 30 EEEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)Nc3cccc(C#N)c3C)C2)CC1 ZINC000178579469 463924651 /nfs/dbraw/zinc/92/46/51/463924651.db2.gz KNKHEWVTMQLZIA-KRWDZBQOSA-N 1 2 341.459 2.110 20 30 EEEDLO COc1cccc(OCC[NH+]2CCN(C(=O)CC(C)(C)C#N)CC2)c1 ZINC000278268578 463959967 /nfs/dbraw/zinc/95/99/67/463959967.db2.gz AMGIRBVWXSKFRS-UHFFFAOYSA-N 1 2 345.443 2.158 20 30 EEEDLO C[N@H+](CCCOc1cccc(C#N)c1)Cc1ncnn1CC(F)F ZINC000278956305 464014241 /nfs/dbraw/zinc/01/42/41/464014241.db2.gz OXNMJPVLCSSXAS-UHFFFAOYSA-N 1 2 335.358 2.316 20 30 EEEDLO C[N@@H+](CCCOc1cccc(C#N)c1)Cc1ncnn1CC(F)F ZINC000278956305 464014246 /nfs/dbraw/zinc/01/42/46/464014246.db2.gz OXNMJPVLCSSXAS-UHFFFAOYSA-N 1 2 335.358 2.316 20 30 EEEDLO Cc1cccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1Cl ZINC000179030519 464040599 /nfs/dbraw/zinc/04/05/99/464040599.db2.gz SMNMNCOZMCVKKL-UHFFFAOYSA-N 1 2 335.835 2.337 20 30 EEEDLO C#Cc1ccc(C[N@H+]2CCc3c(cccc3S(=O)(=O)NC)C2)cc1 ZINC000289070777 464066210 /nfs/dbraw/zinc/06/62/10/464066210.db2.gz AHIDRXNHMRKYKJ-UHFFFAOYSA-N 1 2 340.448 2.134 20 30 EEEDLO C#Cc1ccc(C[N@@H+]2CCc3c(cccc3S(=O)(=O)NC)C2)cc1 ZINC000289070777 464066217 /nfs/dbraw/zinc/06/62/17/464066217.db2.gz AHIDRXNHMRKYKJ-UHFFFAOYSA-N 1 2 340.448 2.134 20 30 EEEDLO CN(C)c1ccc(C[NH+]2CCN(CC#N)CC2)c(C(F)(F)F)c1 ZINC000279735616 464136737 /nfs/dbraw/zinc/13/67/37/464136737.db2.gz WLADVVIYACYERK-UHFFFAOYSA-N 1 2 326.366 2.413 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NC2CCC(C)CC2)n1 ZINC000279755344 464143464 /nfs/dbraw/zinc/14/34/64/464143464.db2.gz QVDVRCCBTYASDG-AQFXKWCLSA-N 1 2 330.476 2.422 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NC2CCC(C)CC2)n1 ZINC000279755344 464143468 /nfs/dbraw/zinc/14/34/68/464143468.db2.gz QVDVRCCBTYASDG-AQFXKWCLSA-N 1 2 330.476 2.422 20 30 EEEDLO C#CCOc1ccccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000188076992 464193741 /nfs/dbraw/zinc/19/37/41/464193741.db2.gz NCAMQNABHCVGIA-UHFFFAOYSA-N 1 2 336.395 2.448 20 30 EEEDLO C#CCOc1ccccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000188123965 464206624 /nfs/dbraw/zinc/20/66/24/464206624.db2.gz NKCWZIRNPZQGGF-MRXNPFEDSA-N 1 2 343.427 2.027 20 30 EEEDLO Cc1nnc(N2CCC[N@H+](Cc3cscn3)CC2)c(C#N)c1C ZINC000263890613 464230059 /nfs/dbraw/zinc/23/00/59/464230059.db2.gz SFLUTSQRWGXJFU-UHFFFAOYSA-N 1 2 328.445 2.134 20 30 EEEDLO Cc1nnc(N2CCC[N@@H+](Cc3cscn3)CC2)c(C#N)c1C ZINC000263890613 464230063 /nfs/dbraw/zinc/23/00/63/464230063.db2.gz SFLUTSQRWGXJFU-UHFFFAOYSA-N 1 2 328.445 2.134 20 30 EEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284527549 464230147 /nfs/dbraw/zinc/23/01/47/464230147.db2.gz UXQIWJSCMWDEIO-JTQLQIEISA-N 1 2 340.336 2.353 20 30 EEEDLO COc1ccc([NH2+]CCCC2(C#N)CCOCC2)cc1-n1cnnn1 ZINC000281193058 464365513 /nfs/dbraw/zinc/36/55/13/464365513.db2.gz MSZQROHQYQEWEL-UHFFFAOYSA-N 1 2 342.403 2.183 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cc(F)ccc2C)C1=O ZINC000281233292 464380160 /nfs/dbraw/zinc/38/01/60/464380160.db2.gz FOMAVPBXYPTGSL-BBRMVZONSA-N 1 2 333.407 2.180 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2cc(F)ccc2C)C1=O ZINC000281233292 464380163 /nfs/dbraw/zinc/38/01/63/464380163.db2.gz FOMAVPBXYPTGSL-BBRMVZONSA-N 1 2 333.407 2.180 20 30 EEEDLO C=CCN1CC[C@H]([NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)C1=O ZINC000281294603 464403439 /nfs/dbraw/zinc/40/34/39/464403439.db2.gz JLPHFGIBSRHZSL-ZFWWWQNUSA-N 1 2 326.400 2.098 20 30 EEEDLO C=CCN1CC[C@H]([NH2+][C@H](C)c2nc(Cc3ccccc3)no2)C1=O ZINC000281294596 464404383 /nfs/dbraw/zinc/40/43/83/464404383.db2.gz JLPHFGIBSRHZSL-HIFRSBDPSA-N 1 2 326.400 2.098 20 30 EEEDLO CC[N@H+](CC(=O)NC1(C#N)CCOCC1)Cc1ccccc1Cl ZINC000241515713 464453286 /nfs/dbraw/zinc/45/32/86/464453286.db2.gz OHJMGPREUABPOO-UHFFFAOYSA-N 1 2 335.835 2.351 20 30 EEEDLO CC[N@@H+](CC(=O)NC1(C#N)CCOCC1)Cc1ccccc1Cl ZINC000241515713 464453293 /nfs/dbraw/zinc/45/32/93/464453293.db2.gz OHJMGPREUABPOO-UHFFFAOYSA-N 1 2 335.835 2.351 20 30 EEEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)[C@H](Cc2ccccc2)C1 ZINC000593849802 468407699 /nfs/dbraw/zinc/40/76/99/468407699.db2.gz QOKLXRGJQKVICN-GOSISDBHSA-N 1 2 335.407 2.263 20 30 EEEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)[C@H](Cc2ccccc2)C1 ZINC000593849802 468407703 /nfs/dbraw/zinc/40/77/03/468407703.db2.gz QOKLXRGJQKVICN-GOSISDBHSA-N 1 2 335.407 2.263 20 30 EEEDLO C=CCOc1cccnc1-c1nc([C@@H]2C[N@@H+](C3CC3)CCO2)no1 ZINC000545796230 468404821 /nfs/dbraw/zinc/40/48/21/468404821.db2.gz IMCNHWLLCVMMLN-AWEZNQCLSA-N 1 2 328.372 2.232 20 30 EEEDLO C=CCOc1cccnc1-c1nc([C@@H]2C[N@H+](C3CC3)CCO2)no1 ZINC000545796230 468404826 /nfs/dbraw/zinc/40/48/26/468404826.db2.gz IMCNHWLLCVMMLN-AWEZNQCLSA-N 1 2 328.372 2.232 20 30 EEEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000245777604 464514912 /nfs/dbraw/zinc/51/49/12/464514912.db2.gz LSMPZQQQZWTIRI-LSDHHAIUSA-N 1 2 347.459 2.233 20 30 EEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000245777604 464514917 /nfs/dbraw/zinc/51/49/17/464514917.db2.gz LSMPZQQQZWTIRI-LSDHHAIUSA-N 1 2 347.459 2.233 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245895391 464523925 /nfs/dbraw/zinc/52/39/25/464523925.db2.gz KHYMEPBGZPZMPY-GTNSWQLSSA-N 1 2 333.457 2.282 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@](C)(O)C1 ZINC000245895391 464523930 /nfs/dbraw/zinc/52/39/30/464523930.db2.gz KHYMEPBGZPZMPY-GTNSWQLSSA-N 1 2 333.457 2.282 20 30 EEEDLO CC#CCCCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000546633981 468408372 /nfs/dbraw/zinc/40/83/72/468408372.db2.gz FCNFAIUSWMTLEN-UHFFFAOYSA-N 1 2 342.439 2.296 20 30 EEEDLO C[C@](O)(C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1)C(F)(F)F ZINC000281894909 464625773 /nfs/dbraw/zinc/62/57/73/464625773.db2.gz OXLCJQNVTGYUON-GJZGRUSLSA-N 1 2 327.350 2.182 20 30 EEEDLO C=CCN1CC[C@H]([NH+]2CCN(C/C=C/c3ccccc3)CC2)C1=O ZINC000281942586 464643490 /nfs/dbraw/zinc/64/34/90/464643490.db2.gz IXAVLDHEMMUREY-AIADIJKESA-N 1 2 325.456 2.104 20 30 EEEDLO C=CCN1CC[C@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C1=O ZINC000281942586 464643499 /nfs/dbraw/zinc/64/34/99/464643499.db2.gz IXAVLDHEMMUREY-AIADIJKESA-N 1 2 325.456 2.104 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000275764932 464787716 /nfs/dbraw/zinc/78/77/16/464787716.db2.gz VIGPGWWTTNQIFW-GOSISDBHSA-N 1 2 335.448 2.164 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2Cl)C1=O ZINC000295422770 464826467 /nfs/dbraw/zinc/82/64/67/464826467.db2.gz UHGQNWPHFXLTHW-CQSZACIVSA-N 1 2 336.819 2.345 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)OC)c2Cl)C1=O ZINC000295422770 464826474 /nfs/dbraw/zinc/82/64/74/464826474.db2.gz UHGQNWPHFXLTHW-CQSZACIVSA-N 1 2 336.819 2.345 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000177082787 464925127 /nfs/dbraw/zinc/92/51/27/464925127.db2.gz DHLWNVJVUVFBGW-XJKSGUPXSA-N 1 2 344.440 2.335 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCc4n[nH]cc43)CC2)cc1 ZINC000268168447 464953418 /nfs/dbraw/zinc/95/34/18/464953418.db2.gz RSKNRPWPUCYYAP-KRWDZBQOSA-N 1 2 349.438 2.046 20 30 EEEDLO Cc1nc([C@@H]2CCCN2C(=O)NCc2ccc(N(C)C)[nH+]c2)no1 ZINC000329394034 465320071 /nfs/dbraw/zinc/32/00/71/465320071.db2.gz SRUJCZPOFVSFPP-ZDUSSCGKSA-N 1 2 330.392 2.090 20 30 EEEDLO Cc1noc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n1 ZINC000348097414 465420135 /nfs/dbraw/zinc/42/01/35/465420135.db2.gz VIDHDSINIGSBQX-SBUZTJRASA-N 1 2 333.436 2.348 20 30 EEEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CCCc2n[nH]cc21 ZINC000329831653 465447232 /nfs/dbraw/zinc/44/72/32/465447232.db2.gz KPGWCUACEHLBSE-CQSZACIVSA-N 1 2 341.415 2.218 20 30 EEEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H](C2CCOCC2)C1 ZINC000329909294 465471530 /nfs/dbraw/zinc/47/15/30/465471530.db2.gz UYEJDLWQYAEWGE-GOEBONIOSA-N 1 2 332.448 2.108 20 30 EEEDLO CC[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)O1 ZINC000329965146 465489868 /nfs/dbraw/zinc/48/98/68/465489868.db2.gz UXKQXIYLBXVMJM-BYNSBNAKSA-N 1 2 338.427 2.247 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000339763426 465496483 /nfs/dbraw/zinc/49/64/83/465496483.db2.gz MJJQWNAMOAHZNR-QGZVFWFLSA-N 1 2 330.428 2.322 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000339763426 465496486 /nfs/dbraw/zinc/49/64/86/465496486.db2.gz MJJQWNAMOAHZNR-QGZVFWFLSA-N 1 2 330.428 2.322 20 30 EEEDLO Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000554642957 468435568 /nfs/dbraw/zinc/43/55/68/468435568.db2.gz YYKZMIGQAQWBRI-UHFFFAOYSA-N 1 2 345.410 2.075 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000352232550 465507924 /nfs/dbraw/zinc/50/79/24/465507924.db2.gz SVZKXDNJKYFSTI-KRWDZBQOSA-N 1 2 343.471 2.192 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000352239271 465509499 /nfs/dbraw/zinc/50/94/99/465509499.db2.gz UMCYNRDSKJJUFF-HIFRSBDPSA-N 1 2 332.448 2.046 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000352314404 465514976 /nfs/dbraw/zinc/51/49/76/465514976.db2.gz JSYDBWWMXLCVEI-JYJNAYRXSA-N 1 2 332.448 2.154 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000352325968 465517216 /nfs/dbraw/zinc/51/72/16/465517216.db2.gz ZHLQWTMEGNXDAQ-JKSUJKDBSA-N 1 2 346.475 2.062 20 30 EEEDLO N#CC1(F)CC[NH+](CC(=O)NCCOc2cccc(Cl)c2)CC1 ZINC000352462048 465531613 /nfs/dbraw/zinc/53/16/13/465531613.db2.gz BIVGXZJRRDWOTQ-UHFFFAOYSA-N 1 2 339.798 2.163 20 30 EEEDLO COc1c(O)cccc1C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000352618080 465543070 /nfs/dbraw/zinc/54/30/70/465543070.db2.gz LTLKIFGUZCWEAY-VLIAUNLRSA-N 1 2 349.390 2.246 20 30 EEEDLO COc1c(O)cccc1C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000352618080 465543076 /nfs/dbraw/zinc/54/30/76/465543076.db2.gz LTLKIFGUZCWEAY-VLIAUNLRSA-N 1 2 349.390 2.246 20 30 EEEDLO CC(C)N(C)C(=O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348311523 465544565 /nfs/dbraw/zinc/54/45/65/465544565.db2.gz ZESQTQLPXARIOL-KRWDZBQOSA-N 1 2 348.878 2.389 20 30 EEEDLO CC(C)N(C)C(=O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348311525 465544953 /nfs/dbraw/zinc/54/49/53/465544953.db2.gz ZESQTQLPXARIOL-QGZVFWFLSA-N 1 2 348.878 2.389 20 30 EEEDLO Cc1cc(C(=O)N(C)CCCn2cc[nH+]c2)nn1-c1cccc(C#N)c1 ZINC000356804726 465550240 /nfs/dbraw/zinc/55/02/40/465550240.db2.gz OLEGRBKFXCSCFZ-UHFFFAOYSA-N 1 2 348.410 2.411 20 30 EEEDLO CCN1CC[N@H+](Cc2ccc(C#N)cc2OC)C[C@@H]1c1ncc[nH]1 ZINC000348368943 465570553 /nfs/dbraw/zinc/57/05/53/465570553.db2.gz KZKDSHGFIPRAMS-MRXNPFEDSA-N 1 2 325.416 2.169 20 30 EEEDLO CCN1CC[N@@H+](Cc2ccc(C#N)cc2OC)C[C@@H]1c1ncc[nH]1 ZINC000348368943 465570557 /nfs/dbraw/zinc/57/05/57/465570557.db2.gz KZKDSHGFIPRAMS-MRXNPFEDSA-N 1 2 325.416 2.169 20 30 EEEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000352954552 465574991 /nfs/dbraw/zinc/57/49/91/465574991.db2.gz UFTOPDHTBNRQDR-CQSZACIVSA-N 1 2 347.463 2.219 20 30 EEEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000352954552 465574997 /nfs/dbraw/zinc/57/49/97/465574997.db2.gz UFTOPDHTBNRQDR-CQSZACIVSA-N 1 2 347.463 2.219 20 30 EEEDLO C[C@H]1CC[S@@](=O)CCN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000330247638 465585028 /nfs/dbraw/zinc/58/50/28/465585028.db2.gz LVODHXBVIXWOCP-RKNYENMMSA-N 1 2 346.456 2.476 20 30 EEEDLO C=C(C)C[NH+]1CCC(NC(=O)c2cn[nH]c2-c2cnn(CC)c2)CC1 ZINC000548631730 468440746 /nfs/dbraw/zinc/44/07/46/468440746.db2.gz UVCORAAEUYIMGX-UHFFFAOYSA-N 1 2 342.447 2.063 20 30 EEEDLO COc1cc(OC)cc([C@@H](Nc2ccnc(C#N)c2)c2[nH+]ccn2C)c1 ZINC000339969162 465647499 /nfs/dbraw/zinc/64/74/99/465647499.db2.gz NEHNHZTWBAWIOP-GOSISDBHSA-N 1 2 349.394 2.327 20 30 EEEDLO CN(CC(F)(F)F)C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000330532949 465696142 /nfs/dbraw/zinc/69/61/42/465696142.db2.gz OBRNNPXMWNDOLP-LLVKDONJSA-N 1 2 334.342 2.296 20 30 EEEDLO Cc1sc(NC(=O)C[N@@H+](C)CCNC(=O)N(C)C)c(C)c1C ZINC000330616579 465734770 /nfs/dbraw/zinc/73/47/70/465734770.db2.gz DUDPVBLDOHYHNJ-UHFFFAOYSA-N 1 2 326.466 2.019 20 30 EEEDLO Cc1sc(NC(=O)C[N@H+](C)CCNC(=O)N(C)C)c(C)c1C ZINC000330616579 465734775 /nfs/dbraw/zinc/73/47/75/465734775.db2.gz DUDPVBLDOHYHNJ-UHFFFAOYSA-N 1 2 326.466 2.019 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000340189222 465859477 /nfs/dbraw/zinc/85/94/77/465859477.db2.gz XEIZFCRLTXXMMV-SFHVURJKSA-N 1 2 337.464 2.095 20 30 EEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000594009485 468458243 /nfs/dbraw/zinc/45/82/43/468458243.db2.gz VURHSQZXSLHYJM-KRWDZBQOSA-N 1 2 348.878 2.266 20 30 EEEDLO C=CCOc1cccc(C[N@H+]2CCN(S(=O)(=O)CC)C[C@@H]2C)c1 ZINC000349001735 465914708 /nfs/dbraw/zinc/91/47/08/465914708.db2.gz HRTALILIIVEGSD-HNNXBMFYSA-N 1 2 338.473 2.107 20 30 EEEDLO C=CCOc1cccc(C[N@@H+]2CCN(S(=O)(=O)CC)C[C@@H]2C)c1 ZINC000349001735 465914711 /nfs/dbraw/zinc/91/47/11/465914711.db2.gz HRTALILIIVEGSD-HNNXBMFYSA-N 1 2 338.473 2.107 20 30 EEEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)CC3(C#N)CCCCC3)C2)CC1 ZINC000597165746 468466690 /nfs/dbraw/zinc/46/66/90/468466690.db2.gz MXWRNHHPSMCUMI-KRWDZBQOSA-N 1 2 332.492 2.089 20 30 EEEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1occc1Br ZINC000331353766 466045505 /nfs/dbraw/zinc/04/55/05/466045505.db2.gz PDMGVHBBIDZZNH-UHFFFAOYSA-N 1 2 331.210 2.458 20 30 EEEDLO N#Cc1cc(NCc2ccc(N3CCOCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000361591752 466125537 /nfs/dbraw/zinc/12/55/37/466125537.db2.gz QTTNPVRMYMGKQQ-UHFFFAOYSA-N 1 2 339.355 2.310 20 30 EEEDLO CCC(=O)N1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000580184918 468473174 /nfs/dbraw/zinc/47/31/74/468473174.db2.gz DIHPTIIVBVQCFR-UHFFFAOYSA-N 1 2 337.427 2.475 20 30 EEEDLO CCC(=O)N1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000580184918 468473180 /nfs/dbraw/zinc/47/31/80/468473180.db2.gz DIHPTIIVBVQCFR-UHFFFAOYSA-N 1 2 337.427 2.475 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)CCC1 ZINC000346895279 466231419 /nfs/dbraw/zinc/23/14/19/466231419.db2.gz WUTZLISNAHNYDT-AWEZNQCLSA-N 1 2 333.457 2.292 20 30 EEEDLO N#CC1(NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)CCC1 ZINC000346895279 466231428 /nfs/dbraw/zinc/23/14/28/466231428.db2.gz WUTZLISNAHNYDT-AWEZNQCLSA-N 1 2 333.457 2.292 20 30 EEEDLO Cc1c(Br)scc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000580650336 468480924 /nfs/dbraw/zinc/48/09/24/468480924.db2.gz WQVOQRVCHRHDCT-GFCCVEGCSA-N 1 2 330.251 2.393 20 30 EEEDLO C=CCn1c(SCC[N@H+]2CCOC[C@@H]2C)nnc1-c1ccccn1 ZINC000340715339 466285749 /nfs/dbraw/zinc/28/57/49/466285749.db2.gz SPEPZNSRGKXEGP-AWEZNQCLSA-N 1 2 345.472 2.339 20 30 EEEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@@H]2C)nnc1-c1ccccn1 ZINC000340715339 466285756 /nfs/dbraw/zinc/28/57/56/466285756.db2.gz SPEPZNSRGKXEGP-AWEZNQCLSA-N 1 2 345.472 2.339 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2C)c1C#N ZINC000340884221 466408797 /nfs/dbraw/zinc/40/87/97/466408797.db2.gz BNWSGLYACBIPEP-LRDDRELGSA-N 1 2 344.459 2.485 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1C#N ZINC000340884221 466408808 /nfs/dbraw/zinc/40/88/08/466408808.db2.gz BNWSGLYACBIPEP-LRDDRELGSA-N 1 2 344.459 2.485 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000363528341 466459216 /nfs/dbraw/zinc/45/92/16/466459216.db2.gz JTZNYSGXKNSVAO-UHFFFAOYSA-N 1 2 349.500 2.321 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000363528341 466459224 /nfs/dbraw/zinc/45/92/24/466459224.db2.gz JTZNYSGXKNSVAO-UHFFFAOYSA-N 1 2 349.500 2.321 20 30 EEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Cc1c(F)cccc1C#N)CCC2 ZINC000354344696 466491676 /nfs/dbraw/zinc/49/16/76/466491676.db2.gz WHRUONMASSGFIN-CQSZACIVSA-N 1 2 326.375 2.439 20 30 EEEDLO C=CCCCN(C)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000354447575 466575289 /nfs/dbraw/zinc/57/52/89/466575289.db2.gz GTRSQBHOVDJUAD-QGZVFWFLSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCCCN(C)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000354447575 466575296 /nfs/dbraw/zinc/57/52/96/466575296.db2.gz GTRSQBHOVDJUAD-QGZVFWFLSA-N 1 2 346.475 2.442 20 30 EEEDLO N#CC1(NC(=O)C[NH+]2CCC(O)(c3ccccc3Cl)CC2)CCC1 ZINC000373104931 466694369 /nfs/dbraw/zinc/69/43/69/466694369.db2.gz SNKBGMZOIWGAJA-UHFFFAOYSA-N 1 2 347.846 2.186 20 30 EEEDLO COc1cc(OC)cc(N2CC[C@@H](Nc3cc(C)[nH+]cc3C#N)C2)c1 ZINC000425222744 467089244 /nfs/dbraw/zinc/08/92/44/467089244.db2.gz BATSYAJMSZKUEF-OAHLLOKOSA-N 1 2 338.411 2.392 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(OCc2ccncc2)cc1 ZINC000414118718 467379253 /nfs/dbraw/zinc/37/92/53/467379253.db2.gz BPJFJWCGOISICE-QGZVFWFLSA-N 1 2 341.411 2.246 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(OCc2ccncc2)cc1 ZINC000414118718 467379254 /nfs/dbraw/zinc/37/92/54/467379254.db2.gz BPJFJWCGOISICE-QGZVFWFLSA-N 1 2 341.411 2.246 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cc(Br)ccc1F ZINC000414140390 467382401 /nfs/dbraw/zinc/38/24/01/467382401.db2.gz GVSYZCCMDCNAIB-LLVKDONJSA-N 1 2 331.185 2.173 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cc(Br)ccc1F ZINC000414140390 467382404 /nfs/dbraw/zinc/38/24/04/467382404.db2.gz GVSYZCCMDCNAIB-LLVKDONJSA-N 1 2 331.185 2.173 20 30 EEEDLO COCC1(C#N)CC[NH+](Cc2cnnn2Cc2ccccc2)CC1 ZINC000430061735 467396031 /nfs/dbraw/zinc/39/60/31/467396031.db2.gz RALKHEDQQBMGMG-UHFFFAOYSA-N 1 2 325.416 2.079 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)CCC1 ZINC000527377419 467660253 /nfs/dbraw/zinc/66/02/53/467660253.db2.gz MZKSENNMQALDIP-ZDUSSCGKSA-N 1 2 331.441 2.348 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)CCC1 ZINC000527377419 467660255 /nfs/dbraw/zinc/66/02/55/467660255.db2.gz MZKSENNMQALDIP-ZDUSSCGKSA-N 1 2 331.441 2.348 20 30 EEEDLO CCC(C#N)(CC)C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000527746571 467664520 /nfs/dbraw/zinc/66/45/20/467664520.db2.gz QPXGNWAWWNXOQG-UHFFFAOYSA-N 1 2 339.443 2.308 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C\c1ccc(F)c(F)c1 ZINC000492871563 467780797 /nfs/dbraw/zinc/78/07/97/467780797.db2.gz QNOJIRXNFCKRTR-HYXAFXHYSA-N 1 2 349.381 2.052 20 30 EEEDLO C[C@H]1C[N@H+](Cc2ncc(C#N)cn2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000497020733 467789575 /nfs/dbraw/zinc/78/95/75/467789575.db2.gz WLMCEKVBDYVFTA-GXTWGEPZSA-N 1 2 331.420 2.083 20 30 EEEDLO C[C@H]1C[N@@H+](Cc2ncc(C#N)cn2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000497020733 467789579 /nfs/dbraw/zinc/78/95/79/467789579.db2.gz WLMCEKVBDYVFTA-GXTWGEPZSA-N 1 2 331.420 2.083 20 30 EEEDLO C[N@H+](Cc1ncc(C#N)cn1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000497159843 467863570 /nfs/dbraw/zinc/86/35/70/467863570.db2.gz HKLBTWNXIGSLIJ-CQSZACIVSA-N 1 2 331.420 2.083 20 30 EEEDLO C[N@@H+](Cc1ncc(C#N)cn1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000497159843 467863573 /nfs/dbraw/zinc/86/35/73/467863573.db2.gz HKLBTWNXIGSLIJ-CQSZACIVSA-N 1 2 331.420 2.083 20 30 EEEDLO CN(C[C@@H]1CCC[N@H+](Cc2ncc(C#N)cn2)C1)C(=O)OC(C)(C)C ZINC000497171845 467869252 /nfs/dbraw/zinc/86/92/52/467869252.db2.gz WQLIHJMARHYXFL-AWEZNQCLSA-N 1 2 345.447 2.427 20 30 EEEDLO CN(C[C@@H]1CCC[N@@H+](Cc2ncc(C#N)cn2)C1)C(=O)OC(C)(C)C ZINC000497171845 467869254 /nfs/dbraw/zinc/86/92/54/467869254.db2.gz WQLIHJMARHYXFL-AWEZNQCLSA-N 1 2 345.447 2.427 20 30 EEEDLO C#CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC ZINC000497260740 467910316 /nfs/dbraw/zinc/91/03/16/467910316.db2.gz CICBNSQJRBREKU-KKUMJFAQSA-N 1 2 338.448 2.319 20 30 EEEDLO N#CCc1ccccc1NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000515309145 467984965 /nfs/dbraw/zinc/98/49/65/467984965.db2.gz AOALSHDHWROMBX-UHFFFAOYSA-N 1 2 336.395 2.232 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+](CCO)Cc2cccc(F)c2)cc1 ZINC000494282254 468042426 /nfs/dbraw/zinc/04/24/26/468042426.db2.gz MEYMGRSURDUCPY-UHFFFAOYSA-N 1 2 327.359 2.130 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+](CCO)Cc2cccc(F)c2)cc1 ZINC000494282254 468042430 /nfs/dbraw/zinc/04/24/30/468042430.db2.gz MEYMGRSURDUCPY-UHFFFAOYSA-N 1 2 327.359 2.130 20 30 EEEDLO CCC(=O)C1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000517498445 468086595 /nfs/dbraw/zinc/08/65/95/468086595.db2.gz NVIODRRMMAJONH-UHFFFAOYSA-N 1 2 339.439 2.352 20 30 EEEDLO CCC(=O)C1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000517498445 468086596 /nfs/dbraw/zinc/08/65/96/468086596.db2.gz NVIODRRMMAJONH-UHFFFAOYSA-N 1 2 339.439 2.352 20 30 EEEDLO Cc1ccc([C@H](CNC(=O)C2(C#N)CC(C)C2)[NH+]2CCOCC2)cc1 ZINC000532323361 468111496 /nfs/dbraw/zinc/11/14/96/468111496.db2.gz UBYSZQDDWJBEJV-IPCDKGFNSA-N 1 2 341.455 2.424 20 30 EEEDLO COc1ccccc1[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1ccco1 ZINC000575040730 468134998 /nfs/dbraw/zinc/13/49/98/468134998.db2.gz ISKNIRQORSORFS-DNVCBOLYSA-N 1 2 343.427 2.174 20 30 EEEDLO COc1ccccc1[C@@H](NC[C@@H](O)C[N@H+](C)CCC#N)c1ccco1 ZINC000575040730 468135003 /nfs/dbraw/zinc/13/50/03/468135003.db2.gz ISKNIRQORSORFS-DNVCBOLYSA-N 1 2 343.427 2.174 20 30 EEEDLO COc1ccccc1[C@@H](NC[C@@H](O)C[N@@H+](C)CCC#N)c1ccco1 ZINC000575040730 468135008 /nfs/dbraw/zinc/13/50/08/468135008.db2.gz ISKNIRQORSORFS-DNVCBOLYSA-N 1 2 343.427 2.174 20 30 EEEDLO COc1ccc(OC(F)(F)F)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000575128078 468136871 /nfs/dbraw/zinc/13/68/71/468136871.db2.gz ZRWDHCGVGIFCPW-CQSZACIVSA-N 1 2 345.321 2.167 20 30 EEEDLO COC(=O)c1ccc2ccccc2c1OC[C@H](O)C[N@H+](C)CCC#N ZINC000577203849 468180740 /nfs/dbraw/zinc/18/07/40/468180740.db2.gz WUHBBGKSPTXLBF-OAHLLOKOSA-N 1 2 342.395 2.212 20 30 EEEDLO COC(=O)c1ccc2ccccc2c1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000577203849 468180743 /nfs/dbraw/zinc/18/07/43/468180743.db2.gz WUHBBGKSPTXLBF-OAHLLOKOSA-N 1 2 342.395 2.212 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000578446602 468202989 /nfs/dbraw/zinc/20/29/89/468202989.db2.gz XKWPNVPXIGWLBJ-GOSISDBHSA-N 1 2 331.416 2.216 20 30 EEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000490594633 468223614 /nfs/dbraw/zinc/22/36/14/468223614.db2.gz UNIUPYLQETZXJU-UHFFFAOYSA-N 1 2 335.342 2.077 20 30 EEEDLO C#CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C(=O)OC ZINC000496432577 468243212 /nfs/dbraw/zinc/24/32/12/468243212.db2.gz DFIZWOAYKZNBOD-ZNMIVQPWSA-N 1 2 338.448 2.177 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(OCc2cccnc2)c1 ZINC000591772605 468519652 /nfs/dbraw/zinc/51/96/52/468519652.db2.gz QUKFNYGHRRYXNZ-GOSISDBHSA-N 1 2 340.427 2.279 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(OCc2cccnc2)c1 ZINC000591772605 468519653 /nfs/dbraw/zinc/51/96/53/468519653.db2.gz QUKFNYGHRRYXNZ-GOSISDBHSA-N 1 2 340.427 2.279 20 30 EEEDLO CC(C)(C#N)CCS(=O)(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000569888279 468557942 /nfs/dbraw/zinc/55/79/42/468557942.db2.gz GZDVPTQQTLEJGI-UHFFFAOYSA-N 1 2 346.456 2.291 20 30 EEEDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000582847923 468605439 /nfs/dbraw/zinc/60/54/39/468605439.db2.gz CKALSPPWUNUYLJ-YOEHRIQHSA-N 1 2 332.404 2.124 20 30 EEEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148809 468637992 /nfs/dbraw/zinc/63/79/92/468637992.db2.gz CFHCGQCFWVUDHQ-BZNIZROVSA-N 1 2 337.807 2.026 20 30 EEEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148809 468637999 /nfs/dbraw/zinc/63/79/99/468637999.db2.gz CFHCGQCFWVUDHQ-BZNIZROVSA-N 1 2 337.807 2.026 20 30 EEEDLO COc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@](O)(CC#N)C3)n2)cc1 ZINC000592149149 468638034 /nfs/dbraw/zinc/63/80/34/468638034.db2.gz JOCVFYGYKJRKIE-YVEFUNNKSA-N 1 2 328.372 2.157 20 30 EEEDLO COc1ccc(-c2noc([C@H](C)[N@H+]3CC[C@](O)(CC#N)C3)n2)cc1 ZINC000592149149 468638043 /nfs/dbraw/zinc/63/80/43/468638043.db2.gz JOCVFYGYKJRKIE-YVEFUNNKSA-N 1 2 328.372 2.157 20 30 EEEDLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cnc3c(C#N)cnn3c1)C2 ZINC000592499946 468713131 /nfs/dbraw/zinc/71/31/31/468713131.db2.gz FGCJLNNZOATOOV-UHFFFAOYSA-N 1 2 346.394 2.118 20 30 EEEDLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cnc3c(C#N)cnn3c1)C2 ZINC000592499946 468713136 /nfs/dbraw/zinc/71/31/36/468713136.db2.gz FGCJLNNZOATOOV-UHFFFAOYSA-N 1 2 346.394 2.118 20 30 EEEDLO Cc1ccc(-c2ccc(OCC[N@@H+]3CCNC(=O)C3)cc2)c(C#N)c1 ZINC000592988626 468834244 /nfs/dbraw/zinc/83/42/44/468834244.db2.gz MCJOCUJCQNBHLE-UHFFFAOYSA-N 1 2 335.407 2.344 20 30 EEEDLO Cc1ccc(-c2ccc(OCC[N@H+]3CCNC(=O)C3)cc2)c(C#N)c1 ZINC000592988626 468834250 /nfs/dbraw/zinc/83/42/50/468834250.db2.gz MCJOCUJCQNBHLE-UHFFFAOYSA-N 1 2 335.407 2.344 20 30 EEEDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c([N+](=O)[O-])c1 ZINC000595613149 468921589 /nfs/dbraw/zinc/92/15/89/468921589.db2.gz ADAXMXPGCYKORP-GFCCVEGCSA-N 1 2 332.360 2.168 20 30 EEEDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)c([N+](=O)[O-])c1 ZINC000595613149 468921594 /nfs/dbraw/zinc/92/15/94/468921594.db2.gz ADAXMXPGCYKORP-GFCCVEGCSA-N 1 2 332.360 2.168 20 30 EEEDLO COC(=O)C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598590446 468925185 /nfs/dbraw/zinc/92/51/85/468925185.db2.gz YULWHOWMDACWOA-ZDUSSCGKSA-N 1 2 340.370 2.241 20 30 EEEDLO COC(=O)C[N@H+](Cc1ccc(F)c(F)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598590446 468925189 /nfs/dbraw/zinc/92/51/89/468925189.db2.gz YULWHOWMDACWOA-ZDUSSCGKSA-N 1 2 340.370 2.241 20 30 EEEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000610656922 469028580 /nfs/dbraw/zinc/02/85/80/469028580.db2.gz RJFFKVFQYHSJDZ-APWZRJJASA-N 1 2 342.395 2.159 20 30 EEEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000610656922 469028583 /nfs/dbraw/zinc/02/85/83/469028583.db2.gz RJFFKVFQYHSJDZ-APWZRJJASA-N 1 2 342.395 2.159 20 30 EEEDLO N#CCC1(C[NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CC1 ZINC000602788802 469075828 /nfs/dbraw/zinc/07/58/28/469075828.db2.gz VGCAOFGAGBCMKU-SFHVURJKSA-N 1 2 338.455 2.103 20 30 EEEDLO CC(C)[C@@H](NC(=O)C[NH2+][C@H](C)CC#N)c1ccc2c(c1)OCCO2 ZINC000602861055 469126244 /nfs/dbraw/zinc/12/62/44/469126244.db2.gz FFDFLAKJBMNRKY-FZKQIMNGSA-N 1 2 331.416 2.163 20 30 EEEDLO COc1cccc([C@@H](NC(=O)c2ccc(C#N)[nH]2)c2[nH+]ccn2C)c1 ZINC000611028536 469143660 /nfs/dbraw/zinc/14/36/60/469143660.db2.gz PJZDTTDTMAYYEX-MRXNPFEDSA-N 1 2 335.367 2.148 20 30 EEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C ZINC000563364246 469236746 /nfs/dbraw/zinc/23/67/46/469236746.db2.gz GRFGPJHNRAMBOB-KGLIPLIRSA-N 1 2 333.432 2.471 20 30 EEEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000563366580 469237835 /nfs/dbraw/zinc/23/78/35/469237835.db2.gz JFVKHDDALRXMIU-DGCLKSJQSA-N 1 2 332.404 2.262 20 30 EEEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1Cc1ccc(C#N)cc1F ZINC000599445856 469260931 /nfs/dbraw/zinc/26/09/31/469260931.db2.gz VVESUNOSBSFXDT-GOSISDBHSA-N 1 2 336.374 2.302 20 30 EEEDLO C[NH+](C)[C@@H](CNC(=O)N1CC[C@@](F)(C#N)C1)c1c(F)cccc1F ZINC000615547195 469262591 /nfs/dbraw/zinc/26/25/91/469262591.db2.gz XMQSYVIMTDREAR-XJKSGUPXSA-N 1 2 340.349 2.215 20 30 EEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1ccc(C#N)cc1Cl ZINC000596798017 469362100 /nfs/dbraw/zinc/36/21/00/469362100.db2.gz YAXOICVWIOWQBI-NEPJUHHUSA-N 1 2 336.823 2.442 20 30 EEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1ccc(C#N)cc1Cl ZINC000596798017 469362104 /nfs/dbraw/zinc/36/21/04/469362104.db2.gz YAXOICVWIOWQBI-NEPJUHHUSA-N 1 2 336.823 2.442 20 30 EEEDLO C[C@]1(C#N)CCCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000612154671 469406306 /nfs/dbraw/zinc/40/63/06/469406306.db2.gz AEMNJLTUDPBKON-GOSISDBHSA-N 1 2 346.500 2.018 20 30 EEEDLO Cc1nccc([C@@H]2CCC[N@H+](CC(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000603833997 469434662 /nfs/dbraw/zinc/43/46/62/469434662.db2.gz CFBLDIPLMWJBJC-MRXNPFEDSA-N 1 2 335.411 2.475 20 30 EEEDLO Cc1nccc([C@@H]2CCC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000603833997 469434666 /nfs/dbraw/zinc/43/46/66/469434666.db2.gz CFBLDIPLMWJBJC-MRXNPFEDSA-N 1 2 335.411 2.475 20 30 EEEDLO Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609538759 469937156 /nfs/dbraw/zinc/93/71/56/469937156.db2.gz XPSBNLUXXQLBKP-MJGOQNOKSA-N 1 2 342.487 2.166 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccc(C)cc2C)nn1 ZINC000640879378 471089912 /nfs/dbraw/zinc/08/99/12/471089912.db2.gz FELZQJSKOWHRPF-OAHLLOKOSA-N 1 2 325.416 2.208 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1CC[C@H]2CCC[C@H]21 ZINC000669011063 471347679 /nfs/dbraw/zinc/34/76/79/471347679.db2.gz IOYXSJLHMZVZMW-JJXSEGSLSA-N 1 2 331.464 2.235 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1CC[C@H]2CCC[C@H]21 ZINC000669011063 471347681 /nfs/dbraw/zinc/34/76/81/471347681.db2.gz IOYXSJLHMZVZMW-JJXSEGSLSA-N 1 2 331.464 2.235 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000655621831 471411784 /nfs/dbraw/zinc/41/17/84/471411784.db2.gz WSLVTYAQIZCTQL-DLBZAZTESA-N 1 2 342.443 2.330 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663870158 471557284 /nfs/dbraw/zinc/55/72/84/471557284.db2.gz PLESFIAIJDOTGT-YOEHRIQHSA-N 1 2 332.448 2.221 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663870158 471557291 /nfs/dbraw/zinc/55/72/91/471557291.db2.gz PLESFIAIJDOTGT-YOEHRIQHSA-N 1 2 332.448 2.221 20 30 EEEDLO C=CCCn1cc(CN2CCC[N@H+](Cc3cscn3)CC2)nn1 ZINC000653539894 471657830 /nfs/dbraw/zinc/65/78/30/471657830.db2.gz PNEMBZIANYUQTO-UHFFFAOYSA-N 1 2 332.477 2.019 20 30 EEEDLO C=CCCn1cc(CN2CCC[N@@H+](Cc3cscn3)CC2)nn1 ZINC000653539894 471657834 /nfs/dbraw/zinc/65/78/34/471657834.db2.gz PNEMBZIANYUQTO-UHFFFAOYSA-N 1 2 332.477 2.019 20 30 EEEDLO C=CCCn1cc(C[N@@H+]2CCCN(Cc3cscn3)CC2)nn1 ZINC000653539894 471657837 /nfs/dbraw/zinc/65/78/37/471657837.db2.gz PNEMBZIANYUQTO-UHFFFAOYSA-N 1 2 332.477 2.019 20 30 EEEDLO C=CCCn1cc(C[N@H+]2CCCN(Cc3cscn3)CC2)nn1 ZINC000653539894 471657839 /nfs/dbraw/zinc/65/78/39/471657839.db2.gz PNEMBZIANYUQTO-UHFFFAOYSA-N 1 2 332.477 2.019 20 30 EEEDLO CCC#C[C@H](C)[NH+]1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000677047465 486368131 /nfs/dbraw/zinc/36/81/31/486368131.db2.gz BNLVCFZXEPUAMT-HKUYNNGSSA-N 1 2 325.456 2.211 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)NC3CCCCC3)CC2)s1 ZINC000131293699 534781038 /nfs/dbraw/zinc/78/10/38/534781038.db2.gz OGZRYKUZPKTHDV-UHFFFAOYSA-N 1 2 346.500 2.186 20 30 EEEDLO C=CC[N@@H+](CCOC)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000191121822 526304088 /nfs/dbraw/zinc/30/40/88/526304088.db2.gz ZNDFFXPCECCYHN-ZDUSSCGKSA-N 1 2 327.222 2.110 20 30 EEEDLO C=CC[N@H+](CCOC)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000191121822 526304093 /nfs/dbraw/zinc/30/40/93/526304093.db2.gz ZNDFFXPCECCYHN-ZDUSSCGKSA-N 1 2 327.222 2.110 20 30 EEEDLO C#CCCCCNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000154897679 526698697 /nfs/dbraw/zinc/69/86/97/526698697.db2.gz WDAAKQSKJLHHCA-UHFFFAOYSA-N 1 2 329.444 2.196 20 30 EEEDLO C=CC1CCN(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CC1 ZINC000111465468 526966682 /nfs/dbraw/zinc/96/66/82/526966682.db2.gz SWPYPRYYTVTILL-HNNXBMFYSA-N 1 2 344.459 2.414 20 30 EEEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726253415 576249308 /nfs/dbraw/zinc/24/93/08/576249308.db2.gz NCJBJHUPYUNEFU-INIZCTEOSA-N 1 2 347.459 2.114 20 30 EEEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726253415 576249311 /nfs/dbraw/zinc/24/93/11/576249311.db2.gz NCJBJHUPYUNEFU-INIZCTEOSA-N 1 2 347.459 2.114 20 30 EEEDLO C#CC[N@@H+](CCCS(=O)(=O)CCOC)[C@@H]1CCc2ccccc21 ZINC000727828600 576452064 /nfs/dbraw/zinc/45/20/64/576452064.db2.gz WZVGOZLMLMZMMZ-GOSISDBHSA-N 1 2 335.469 2.060 20 30 EEEDLO C#CC[N@H+](CCCS(=O)(=O)CCOC)[C@@H]1CCc2ccccc21 ZINC000727828600 576452066 /nfs/dbraw/zinc/45/20/66/576452066.db2.gz WZVGOZLMLMZMMZ-GOSISDBHSA-N 1 2 335.469 2.060 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(OC)c2)cn1 ZINC000728803125 576530904 /nfs/dbraw/zinc/53/09/04/576530904.db2.gz QAJUVBQHBLSTBL-SFHVURJKSA-N 1 2 346.390 2.324 20 30 EEEDLO C[C@H](OC(=O)c1ccc2[nH+]ccn2c1)C(=O)Nc1ccccc1C#N ZINC000731907657 577132241 /nfs/dbraw/zinc/13/22/41/577132241.db2.gz KCWJTSMIAZRICI-LBPRGKRZSA-N 1 2 334.335 2.390 20 30 EEEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](C(C)C)CC1=O ZINC000733294954 577220440 /nfs/dbraw/zinc/22/04/40/577220440.db2.gz RUXCNXHAQHANAH-SFHVURJKSA-N 1 2 329.444 2.469 20 30 EEEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](C(C)C)CC1=O ZINC000733294954 577220441 /nfs/dbraw/zinc/22/04/41/577220441.db2.gz RUXCNXHAQHANAH-SFHVURJKSA-N 1 2 329.444 2.469 20 30 EEEDLO C=C(CC)COC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000773533777 577348651 /nfs/dbraw/zinc/34/86/51/577348651.db2.gz FETMQNQXURSRCS-UHFFFAOYSA-N 1 2 331.416 2.020 20 30 EEEDLO C#C[C@@H]([NH2+]Cc1nc(-c2ccc(OCC)cc2)no1)[C@H]1CCCO1 ZINC000775795716 577445978 /nfs/dbraw/zinc/44/59/78/577445978.db2.gz YZUVQHZIWPVAIL-HZPDHXFCSA-N 1 2 327.384 2.406 20 30 EEEDLO CC#CCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000776106255 577452257 /nfs/dbraw/zinc/45/22/57/577452257.db2.gz HVHOVURIJYQTCQ-INIZCTEOSA-N 1 2 326.400 2.231 20 30 EEEDLO Cc1[nH+]cc(CN=Nc2ncnc3c2cnn3C)n1-c1ccccc1 ZINC000755644630 577828498 /nfs/dbraw/zinc/82/84/98/577828498.db2.gz MBTJAOUUPICPGR-UHFFFAOYSA-N 1 2 332.371 2.303 20 30 EEEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1cc(F)cc(F)c1 ZINC000755661105 577828753 /nfs/dbraw/zinc/82/87/53/577828753.db2.gz NEAPLPWEGJRDRY-UHFFFAOYSA-N 1 2 335.358 2.289 20 30 EEEDLO CCn1cc[nH+]c1CN=Nc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000755660456 577828760 /nfs/dbraw/zinc/82/87/60/577828760.db2.gz CABWUPUZOAVQAT-UHFFFAOYSA-N 1 2 349.460 2.426 20 30 EEEDLO Cc1ccc2[nH+]cc(C=NNC(=S)NCCc3ccccn3)n2c1 ZINC000755683494 577829154 /nfs/dbraw/zinc/82/91/54/577829154.db2.gz RVUFVYGDEBXVHE-UHFFFAOYSA-N 1 2 338.440 2.078 20 30 EEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCOC2CCC2)CC1=O ZINC000742267575 577870302 /nfs/dbraw/zinc/87/03/02/577870302.db2.gz STWSLEZKGGQVHQ-UHFFFAOYSA-N 1 2 340.427 2.215 20 30 EEEDLO Cc1noc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)n1 ZINC000742356573 577871576 /nfs/dbraw/zinc/87/15/76/577871576.db2.gz DRBPUCMFADSGHG-UHFFFAOYSA-N 1 2 339.355 2.189 20 30 EEEDLO COC(=O)c1cccc(OCC(N)=[NH+]OCc2ccccc2C#N)c1 ZINC000747837185 577951227 /nfs/dbraw/zinc/95/12/27/577951227.db2.gz KEURTOWVRZRLIG-UHFFFAOYSA-N 1 2 339.351 2.422 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000741784669 578124062 /nfs/dbraw/zinc/12/40/62/578124062.db2.gz LDJQYURACQMEQK-ROUUACIJSA-N 1 2 342.443 2.178 20 30 EEEDLO C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970444780 675900528 /nfs/dbraw/zinc/90/05/28/675900528.db2.gz LHFHDUCCTHUWBS-FHSNZYRGSA-N 1 2 345.418 2.201 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2nn(C)c(C)c2Cl)C1 ZINC000970512846 675951384 /nfs/dbraw/zinc/95/13/84/675951384.db2.gz KWRCXCFXYSOFCN-SECBINFHSA-N 1 2 331.247 2.185 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnn3cccc(OC)c23)C1 ZINC000970598994 676012445 /nfs/dbraw/zinc/01/24/45/676012445.db2.gz BQPKQZIKVOWIKR-LBPRGKRZSA-N 1 2 348.834 2.146 20 30 EEEDLO C=CCOc1cccnc1C(=O)N[C@H](C)C1C[NH+](CC(=C)Cl)C1 ZINC000970713886 676096612 /nfs/dbraw/zinc/09/66/12/676096612.db2.gz MILFLDOVCORWKF-CYBMUJFWSA-N 1 2 335.835 2.449 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nc(CC4CC4)no3)C2)CC1 ZINC000969830581 675236012 /nfs/dbraw/zinc/23/60/12/675236012.db2.gz NLMWIPDBXXLZQZ-MRXNPFEDSA-N 1 2 344.459 2.459 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(C)cc2=O)C[C@H]1C ZINC000947414950 676229309 /nfs/dbraw/zinc/22/93/09/676229309.db2.gz BCIICKXZTGLDNC-KGLIPLIRSA-N 1 2 337.851 2.029 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(C)cc2=O)C[C@H]1C ZINC000947414950 676229311 /nfs/dbraw/zinc/22/93/11/676229311.db2.gz BCIICKXZTGLDNC-KGLIPLIRSA-N 1 2 337.851 2.029 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cn(C)nc2C2CCC2)C1 ZINC000969998843 675373630 /nfs/dbraw/zinc/37/36/30/675373630.db2.gz VUYAIJHPMOYIIS-GFCCVEGCSA-N 1 2 336.867 2.490 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccccc2N(C)C(C)=O)C1 ZINC000970236903 675732701 /nfs/dbraw/zinc/73/27/01/675732701.db2.gz JHTWGPMOBZFLES-CYBMUJFWSA-N 1 2 349.862 2.472 20 30 EEEDLO CC#CCCCC(=O)N(C)CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001067450294 676230780 /nfs/dbraw/zinc/23/07/80/676230780.db2.gz LXCQXRWOPDGHPB-KRWDZBQOSA-N 1 2 346.475 2.335 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC000970934507 676252892 /nfs/dbraw/zinc/25/28/92/676252892.db2.gz SUTYQMIIOFFULD-NSHDSACASA-N 1 2 347.850 2.079 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(-c3ccco3)on2)C1 ZINC000971221220 676445027 /nfs/dbraw/zinc/44/50/27/676445027.db2.gz NJIVCZCOTBYOSX-OCCSQVGLSA-N 1 2 328.372 2.127 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(-c3ccco3)on2)C1 ZINC000971221220 676445028 /nfs/dbraw/zinc/44/50/28/676445028.db2.gz NJIVCZCOTBYOSX-OCCSQVGLSA-N 1 2 328.372 2.127 20 30 EEEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CC(=O)NC[C@@H]2c2ccccc2)c1 ZINC000933326131 676591943 /nfs/dbraw/zinc/59/19/43/676591943.db2.gz YAPKOAYOXIILBI-GOSISDBHSA-N 1 2 348.406 2.060 20 30 EEEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CC(=O)NC[C@@H]2c2ccccc2)c1 ZINC000933326131 676591946 /nfs/dbraw/zinc/59/19/46/676591946.db2.gz YAPKOAYOXIILBI-GOSISDBHSA-N 1 2 348.406 2.060 20 30 EEEDLO NC(CCO)=[NH+]OCc1coc(-c2ccc(Br)cc2)n1 ZINC000121425925 676625505 /nfs/dbraw/zinc/62/55/05/676625505.db2.gz MOSKLYVHRDUIGA-UHFFFAOYSA-N 1 2 340.177 2.275 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2nc(C)no2)C1 ZINC000971688682 676739008 /nfs/dbraw/zinc/73/90/08/676739008.db2.gz ZRAQPBKUGLQJGH-ZFWWWQNUSA-N 1 2 343.431 2.273 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2nc(C)no2)C1 ZINC000971688682 676739011 /nfs/dbraw/zinc/73/90/11/676739011.db2.gz ZRAQPBKUGLQJGH-ZFWWWQNUSA-N 1 2 343.431 2.273 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccon3)C[C@H]21 ZINC001041951671 678021286 /nfs/dbraw/zinc/02/12/86/678021286.db2.gz DQEWIZUUHHSTEM-DGCLKSJQSA-N 1 2 340.221 2.120 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccon3)C[C@H]21 ZINC001041951671 678021289 /nfs/dbraw/zinc/02/12/89/678021289.db2.gz DQEWIZUUHHSTEM-DGCLKSJQSA-N 1 2 340.221 2.120 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccon3)C[C@@H]21 ZINC001041951670 678021331 /nfs/dbraw/zinc/02/13/31/678021331.db2.gz DQEWIZUUHHSTEM-AAEUAGOBSA-N 1 2 340.221 2.120 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccon3)C[C@@H]21 ZINC001041951670 678021334 /nfs/dbraw/zinc/02/13/34/678021334.db2.gz DQEWIZUUHHSTEM-AAEUAGOBSA-N 1 2 340.221 2.120 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([N@H+](C)Cc2cc3n(n2)CCC3)C1 ZINC000972248169 678448465 /nfs/dbraw/zinc/44/84/65/678448465.db2.gz WXKCECNLCCHJCU-HKUYNNGSSA-N 1 2 330.476 2.464 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc3n(n2)CCC3)C1 ZINC000972248169 678448470 /nfs/dbraw/zinc/44/84/70/678448470.db2.gz WXKCECNLCCHJCU-HKUYNNGSSA-N 1 2 330.476 2.464 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Oc3ccccc3F)C2)C1 ZINC000972389101 678666656 /nfs/dbraw/zinc/66/66/56/678666656.db2.gz DOZYNWCQYQQBEI-BEFAXECRSA-N 1 2 348.418 2.082 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Oc3ccccc3F)C2)C1 ZINC000972389101 678666659 /nfs/dbraw/zinc/66/66/59/678666659.db2.gz DOZYNWCQYQQBEI-BEFAXECRSA-N 1 2 348.418 2.082 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)c3c(C)n[nH]c3C)C2)C1 ZINC000972440691 678743855 /nfs/dbraw/zinc/74/38/55/678743855.db2.gz JNQVCULZNCEYBI-AUUYWEPGSA-N 1 2 346.475 2.009 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)c3c(C)n[nH]c3C)C2)C1 ZINC000972440691 678743859 /nfs/dbraw/zinc/74/38/59/678743859.db2.gz JNQVCULZNCEYBI-AUUYWEPGSA-N 1 2 346.475 2.009 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C(C)C)n3)C2)C1 ZINC000972452647 678770876 /nfs/dbraw/zinc/77/08/76/678770876.db2.gz DPDOYDGHCIYWIU-FQEVSTJZSA-N 1 2 341.455 2.145 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C(C)C)n3)C2)C1 ZINC000972452647 678770881 /nfs/dbraw/zinc/77/08/81/678770881.db2.gz DPDOYDGHCIYWIU-FQEVSTJZSA-N 1 2 341.455 2.145 20 30 EEEDLO C#CCOc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccon3)C2)cc1 ZINC000972494578 678917941 /nfs/dbraw/zinc/91/79/41/678917941.db2.gz FBPXGDSCAUGOOG-QGZVFWFLSA-N 1 2 339.395 2.033 20 30 EEEDLO C#CCOc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccon3)C2)cc1 ZINC000972494578 678917943 /nfs/dbraw/zinc/91/79/43/678917943.db2.gz FBPXGDSCAUGOOG-QGZVFWFLSA-N 1 2 339.395 2.033 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)OC3CCCC3)C2)C1 ZINC000972578250 679340265 /nfs/dbraw/zinc/34/02/65/679340265.db2.gz RIUIKHWSSPDGCJ-HKUYNNGSSA-N 1 2 336.476 2.214 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)OC3CCCC3)C2)C1 ZINC000972578250 679340267 /nfs/dbraw/zinc/34/02/67/679340267.db2.gz RIUIKHWSSPDGCJ-HKUYNNGSSA-N 1 2 336.476 2.214 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(F)F)cc3)C2)C1 ZINC000972596404 679389796 /nfs/dbraw/zinc/38/97/96/679389796.db2.gz LUOSQGRFORZBRB-SFHVURJKSA-N 1 2 334.366 2.174 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(F)F)cc3)C2)C1 ZINC000972596404 679389799 /nfs/dbraw/zinc/38/97/99/679389799.db2.gz LUOSQGRFORZBRB-SFHVURJKSA-N 1 2 334.366 2.174 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3cc(C)oc3C)C2)C1 ZINC000972599609 679403527 /nfs/dbraw/zinc/40/35/27/679403527.db2.gz UPKPJUCORSBUDM-JXFKEZNVSA-N 1 2 344.455 2.327 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3cc(C)oc3C)C2)C1 ZINC000972599609 679403530 /nfs/dbraw/zinc/40/35/30/679403530.db2.gz UPKPJUCORSBUDM-JXFKEZNVSA-N 1 2 344.455 2.327 20 30 EEEDLO C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3[nH]nc4ccccc43)C2)C1 ZINC000972663098 679532146 /nfs/dbraw/zinc/53/21/46/679532146.db2.gz YIMLWXFBSCAWLZ-LJQANCHMSA-N 1 2 340.427 2.056 20 30 EEEDLO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3[nH]nc4ccccc43)C2)C1 ZINC000972663098 679532147 /nfs/dbraw/zinc/53/21/47/679532147.db2.gz YIMLWXFBSCAWLZ-LJQANCHMSA-N 1 2 340.427 2.056 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c4ccc(C)cc43)C2)C1 ZINC000972694655 679618741 /nfs/dbraw/zinc/61/87/41/679618741.db2.gz PAIVNZIVSDCCDF-HXUWFJFHSA-N 1 2 337.423 2.026 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c4ccc(C)cc43)C2)C1 ZINC000972694655 679618742 /nfs/dbraw/zinc/61/87/42/679618742.db2.gz PAIVNZIVSDCCDF-HXUWFJFHSA-N 1 2 337.423 2.026 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3csc(C)n3)C2)cn1 ZINC000972756092 679749495 /nfs/dbraw/zinc/74/94/95/679749495.db2.gz ISQVZKZSIXKNTG-QGZVFWFLSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3csc(C)n3)C2)cn1 ZINC000972756092 679749496 /nfs/dbraw/zinc/74/94/96/679749496.db2.gz ISQVZKZSIXKNTG-QGZVFWFLSA-N 1 2 340.452 2.174 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)c1cocn1 ZINC000972864076 679825903 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30 EEEDLO Cc1cnoc1C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001482642056 1187470108 /nfs/dbraw/zinc/47/01/08/1187470108.db2.gz VBNJSMXFZDXIQJ-UHFFFAOYSA-N 1 2 330.363 2.198 20 30 EEEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)c(O)c(F)c1)CC2 ZINC001272784592 1193497004 /nfs/dbraw/zinc/49/70/04/1193497004.db2.gz WHLGUNAQFQXULV-ZDUSSCGKSA-N 1 2 334.366 2.022 20 30 EEEDLO C#CCCCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001076211644 1188779100 /nfs/dbraw/zinc/77/91/00/1188779100.db2.gz QNVVNLBWDFRPMN-GJZGRUSLSA-N 1 2 344.459 2.034 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Oc3cccnc3)[C@@H]2C1 ZINC001076224111 1188792501 /nfs/dbraw/zinc/79/25/01/1188792501.db2.gz DVKQDEOWJJPXIA-IJEWVQPXSA-N 1 2 335.835 2.134 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Oc3cccnc3)[C@@H]2C1 ZINC001076224111 1188792505 /nfs/dbraw/zinc/79/25/05/1188792505.db2.gz DVKQDEOWJJPXIA-IJEWVQPXSA-N 1 2 335.835 2.134 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3n[nH]c4c3C[C@@H](C)CC4)[C@@H]2C1 ZINC001076415548 1188900896 /nfs/dbraw/zinc/90/08/96/1188900896.db2.gz TZAXACVIGGJLHV-DETPVDSQSA-N 1 2 348.878 2.433 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3n[nH]c4c3C[C@@H](C)CC4)[C@@H]2C1 ZINC001076415548 1188900900 /nfs/dbraw/zinc/90/09/00/1188900900.db2.gz TZAXACVIGGJLHV-DETPVDSQSA-N 1 2 348.878 2.433 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001076532177 1188972735 /nfs/dbraw/zinc/97/27/35/1188972735.db2.gz VLVBKKHWFPLPEB-RRFJBIMHSA-N 1 2 346.475 2.137 20 30 EEEDLO C#CCCCCC(=O)N[C@@H](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001076546302 1188987900 /nfs/dbraw/zinc/98/79/00/1188987900.db2.gz XNFHNBSTNVTLMM-JKSUJKDBSA-N 1 2 332.448 2.039 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001076640617 1189068563 /nfs/dbraw/zinc/06/85/63/1189068563.db2.gz ILUIZGIXIGIIBF-ZDUSSCGKSA-N 1 2 342.443 2.480 20 30 EEEDLO CCn1ncnc1C[N@H+](CCNC(=O)[C@H](C)C#N)C1CCCCCC1 ZINC001483814264 1191059411 /nfs/dbraw/zinc/05/94/11/1191059411.db2.gz GHMCTGFCNNMSLV-OAHLLOKOSA-N 1 2 346.479 2.099 20 30 EEEDLO CCn1ncnc1C[N@@H+](CCNC(=O)[C@H](C)C#N)C1CCCCCC1 ZINC001483814264 1191059414 /nfs/dbraw/zinc/05/94/14/1191059414.db2.gz GHMCTGFCNNMSLV-OAHLLOKOSA-N 1 2 346.479 2.099 20 30 EEEDLO Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001014674056 1224160563 /nfs/dbraw/zinc/16/05/63/1224160563.db2.gz QGXOYLNIFUZFAZ-CQSZACIVSA-N 1 2 343.818 2.248 20 30 EEEDLO Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001014674056 1224160567 /nfs/dbraw/zinc/16/05/67/1224160567.db2.gz QGXOYLNIFUZFAZ-CQSZACIVSA-N 1 2 343.818 2.248 20 30 EEEDLO N#CCCCN1C(=O)COCC12C[NH+](Cc1cc3ccccc3o1)C2 ZINC001272964198 1194272821 /nfs/dbraw/zinc/27/28/21/1194272821.db2.gz BMUYQOONELXJKC-UHFFFAOYSA-N 1 2 339.395 2.150 20 30 EEEDLO C=CCN1CC2(C[NH+](CCCc3ccc(Cl)cc3)C2)OCC1=O ZINC001273045775 1194350326 /nfs/dbraw/zinc/35/03/26/1194350326.db2.gz VZQRBBHIHBPKQD-UHFFFAOYSA-N 1 2 334.847 2.372 20 30 EEEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nnc2ccccc2c1O ZINC001018015243 1224215122 /nfs/dbraw/zinc/21/51/22/1224215122.db2.gz TZDSCNXXGRSXKD-OKILXGFUSA-N 1 2 338.411 2.200 20 30 EEEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nnc2ccccc2c1O ZINC001018015243 1224215129 /nfs/dbraw/zinc/21/51/29/1224215129.db2.gz TZDSCNXXGRSXKD-OKILXGFUSA-N 1 2 338.411 2.200 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001078939921 1194419912 /nfs/dbraw/zinc/41/99/12/1194419912.db2.gz XAFUCAXUBWGWNP-OAHLLOKOSA-N 1 2 346.475 2.394 20 30 EEEDLO CCC[N@@H+]1CCn2ncc(CNC(=O)CC#Cc3ccccc3)c2C1 ZINC001128586866 1194421108 /nfs/dbraw/zinc/42/11/08/1194421108.db2.gz PLZYVUXHBVLEQU-UHFFFAOYSA-N 1 2 336.439 2.167 20 30 EEEDLO CCC[N@H+]1CCn2ncc(CNC(=O)CC#Cc3ccccc3)c2C1 ZINC001128586866 1194421109 /nfs/dbraw/zinc/42/11/09/1194421109.db2.gz PLZYVUXHBVLEQU-UHFFFAOYSA-N 1 2 336.439 2.167 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cncc(OC)n3)C2)CC1 ZINC001033388610 1194521368 /nfs/dbraw/zinc/52/13/68/1194521368.db2.gz DPVUYGMKBDXIBW-QGZVFWFLSA-N 1 2 344.459 2.264 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cncc(OC)n3)C2)CC1 ZINC001033388610 1194521369 /nfs/dbraw/zinc/52/13/69/1194521369.db2.gz DPVUYGMKBDXIBW-QGZVFWFLSA-N 1 2 344.459 2.264 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cn(CCC(C)C)nn2)C1 ZINC001033409101 1194527455 /nfs/dbraw/zinc/52/74/55/1194527455.db2.gz HZWGKUWXMSUMRD-AWEZNQCLSA-N 1 2 339.871 2.223 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn(CCC(C)C)nn2)C1 ZINC001033409101 1194527459 /nfs/dbraw/zinc/52/74/59/1194527459.db2.gz HZWGKUWXMSUMRD-AWEZNQCLSA-N 1 2 339.871 2.223 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001033404363 1194547822 /nfs/dbraw/zinc/54/78/22/1194547822.db2.gz CGRWYKZVSKZQFR-FQEVSTJZSA-N 1 2 344.418 2.281 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001033404363 1194547825 /nfs/dbraw/zinc/54/78/25/1194547825.db2.gz CGRWYKZVSKZQFR-FQEVSTJZSA-N 1 2 344.418 2.281 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001033431484 1194568158 /nfs/dbraw/zinc/56/81/58/1194568158.db2.gz DPKJVLVFTNFUEF-OAGGEKHMSA-N 1 2 349.862 2.359 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001033431484 1194568161 /nfs/dbraw/zinc/56/81/61/1194568161.db2.gz DPKJVLVFTNFUEF-OAGGEKHMSA-N 1 2 349.862 2.359 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCOC2)CC1 ZINC001005174290 1194654673 /nfs/dbraw/zinc/65/46/73/1194654673.db2.gz KBMXMAMLSZYMMA-ZDUSSCGKSA-N 1 2 345.281 2.244 20 30 EEEDLO CN(C(=O)c1ncccc1F)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033530678 1194683642 /nfs/dbraw/zinc/68/36/42/1194683642.db2.gz FSDZNVCEZWHGAU-INIZCTEOSA-N 1 2 338.386 2.439 20 30 EEEDLO CN(C(=O)c1ncccc1F)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033530678 1194683644 /nfs/dbraw/zinc/68/36/44/1194683644.db2.gz FSDZNVCEZWHGAU-INIZCTEOSA-N 1 2 338.386 2.439 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)nc1C(C)C ZINC001018030222 1224234031 /nfs/dbraw/zinc/23/40/31/1224234031.db2.gz WWWNZWRCFUMPDE-IYBDPMFKSA-N 1 2 326.444 2.221 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(C)nc1C(C)C ZINC001018030222 1224234038 /nfs/dbraw/zinc/23/40/38/1224234038.db2.gz WWWNZWRCFUMPDE-IYBDPMFKSA-N 1 2 326.444 2.221 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn(C)c2C(F)F)C1 ZINC001033574077 1194897713 /nfs/dbraw/zinc/89/77/13/1194897713.db2.gz PYQYGBFDCVPJEV-JTQLQIEISA-N 1 2 332.782 2.257 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(C)c2C(F)F)C1 ZINC001033574077 1194897721 /nfs/dbraw/zinc/89/77/21/1194897721.db2.gz PYQYGBFDCVPJEV-JTQLQIEISA-N 1 2 332.782 2.257 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001033955039 1195556814 /nfs/dbraw/zinc/55/68/14/1195556814.db2.gz WDMKSUJRNQFOJE-OAGGEKHMSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001033955039 1195556817 /nfs/dbraw/zinc/55/68/17/1195556817.db2.gz WDMKSUJRNQFOJE-OAGGEKHMSA-N 1 2 349.500 2.465 20 30 EEEDLO C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC001034005783 1195649342 /nfs/dbraw/zinc/64/93/42/1195649342.db2.gz WHYZISLLGLNIQM-INIZCTEOSA-N 1 2 325.416 2.194 20 30 EEEDLO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC001034005783 1195649344 /nfs/dbraw/zinc/64/93/44/1195649344.db2.gz WHYZISLLGLNIQM-INIZCTEOSA-N 1 2 325.416 2.194 20 30 EEEDLO CCc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001034172411 1195897243 /nfs/dbraw/zinc/89/72/43/1195897243.db2.gz GGKHYSRMGUJDSP-AWEZNQCLSA-N 1 2 341.415 2.221 20 30 EEEDLO CCc1cnc(C[N@H+]2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001034172411 1195897248 /nfs/dbraw/zinc/89/72/48/1195897248.db2.gz GGKHYSRMGUJDSP-AWEZNQCLSA-N 1 2 341.415 2.221 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)C2=CCOCC2)C1 ZINC001034177153 1195915631 /nfs/dbraw/zinc/91/56/31/1195915631.db2.gz PMNRCRBEOQRUKT-CQSZACIVSA-N 1 2 343.265 2.212 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)C2=CCOCC2)C1 ZINC001034177153 1195915632 /nfs/dbraw/zinc/91/56/32/1195915632.db2.gz PMNRCRBEOQRUKT-CQSZACIVSA-N 1 2 343.265 2.212 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC001034360246 1196148295 /nfs/dbraw/zinc/14/82/95/1196148295.db2.gz OOGFSOQACCMQBH-CYBMUJFWSA-N 1 2 342.237 2.096 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC001034360246 1196148300 /nfs/dbraw/zinc/14/83/00/1196148300.db2.gz OOGFSOQACCMQBH-CYBMUJFWSA-N 1 2 342.237 2.096 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCCC[N@@H+](Cc3nocc3C)C2)c1 ZINC001034392526 1196159277 /nfs/dbraw/zinc/15/92/77/1196159277.db2.gz LGYLTEQCUUGVOK-KRWDZBQOSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCCC[N@H+](Cc3nocc3C)C2)c1 ZINC001034392526 1196159278 /nfs/dbraw/zinc/15/92/78/1196159278.db2.gz LGYLTEQCUUGVOK-KRWDZBQOSA-N 1 2 338.411 2.144 20 30 EEEDLO C[C@H](CNc1cccc(F)c1C#N)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001108148983 1196635953 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347.503 2.065 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132227173 1199466797 /nfs/dbraw/zinc/46/67/97/1199466797.db2.gz AKQHYPOBCYDIBY-GJZGRUSLSA-N 1 2 337.508 2.330 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132227173 1199466803 /nfs/dbraw/zinc/46/68/03/1199466803.db2.gz AKQHYPOBCYDIBY-GJZGRUSLSA-N 1 2 337.508 2.330 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(OC)nn2)C1 ZINC001132255614 1199513815 /nfs/dbraw/zinc/51/38/15/1199513815.db2.gz BWEUBTYRKZAVQW-HUUCEWRRSA-N 1 2 332.448 2.311 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001132255614 1199513822 /nfs/dbraw/zinc/51/38/22/1199513822.db2.gz BWEUBTYRKZAVQW-HUUCEWRRSA-N 1 2 332.448 2.311 20 30 EEEDLO C#C[C@@H](C)N(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000812058639 1200498674 /nfs/dbraw/zinc/49/86/74/1200498674.db2.gz GTWPRJWLEMOUHO-OAHLLOKOSA-N 1 2 328.460 2.385 20 30 EEEDLO 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C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nccs3)[C@@H](C)C2)cn1 ZINC000947949506 1208790393 /nfs/dbraw/zinc/79/03/93/1208790393.db2.gz WNIQFCKAFVDOEU-XJKSGUPXSA-N 1 2 340.452 2.302 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nccs3)[C@@H](C)C2)cn1 ZINC000947949506 1208790396 /nfs/dbraw/zinc/79/03/96/1208790396.db2.gz WNIQFCKAFVDOEU-XJKSGUPXSA-N 1 2 340.452 2.302 20 30 EEEDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCN(CC#N)CC1 ZINC000948652521 1209275349 /nfs/dbraw/zinc/27/53/49/1209275349.db2.gz VJYSXJYCQVBVQJ-KRWDZBQOSA-N 1 2 337.427 2.322 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(OC)nc1 ZINC000948934957 1209461642 /nfs/dbraw/zinc/46/16/42/1209461642.db2.gz AHJOSFKBEQVADC-IBGZPJMESA-N 1 2 349.434 2.443 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(OC)nc1 ZINC000948934957 1209461643 /nfs/dbraw/zinc/46/16/43/1209461643.db2.gz AHJOSFKBEQVADC-IBGZPJMESA-N 1 2 349.434 2.443 20 30 EEEDLO N#CCN1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000948957429 1209473909 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20 30 EEEDLO Cc1ccc([C@H](O)C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 ZINC000779339856 1210008339 /nfs/dbraw/zinc/00/83/39/1210008339.db2.gz GCDKBMUDOXYSMY-BRWVUGGUSA-N 1 2 345.443 2.377 20 30 EEEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occ3c1CCCC3)C2 ZINC001111320088 1210382069 /nfs/dbraw/zinc/38/20/69/1210382069.db2.gz VEVKJPAKDRPUOE-NXHRZFHOSA-N 1 2 342.439 2.143 20 30 EEEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occ3c1CCCC3)C2 ZINC001111320088 1210382072 /nfs/dbraw/zinc/38/20/72/1210382072.db2.gz VEVKJPAKDRPUOE-NXHRZFHOSA-N 1 2 342.439 2.143 20 30 EEEDLO COc1ccccc1CN(C)C(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000079862205 1210734319 /nfs/dbraw/zinc/73/43/19/1210734319.db2.gz BLPNHTTWMABSLM-UHFFFAOYSA-N 1 2 341.411 2.185 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1COCCN1c1cc(CC)[nH+]c(C)n1 ZINC001111722453 1210834609 /nfs/dbraw/zinc/83/46/09/1210834609.db2.gz LDLCAOILHDNPAC-INIZCTEOSA-N 1 2 346.475 2.271 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1COCCN1c1cc(CC)[nH+]c(C)n1 ZINC001111722454 1210843846 /nfs/dbraw/zinc/84/38/46/1210843846.db2.gz LDLCAOILHDNPAC-MRXNPFEDSA-N 1 2 346.475 2.271 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cn(C)nc2C2CCCC2)C1 ZINC000951722781 1210994893 /nfs/dbraw/zinc/99/48/93/1210994893.db2.gz MKSXFZDMKJQHOU-UHFFFAOYSA-N 1 2 328.460 2.247 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C1 ZINC000953371750 1211784563 /nfs/dbraw/zinc/78/45/63/1211784563.db2.gz BJSWDNXTFFFYQS-GJZGRUSLSA-N 1 2 344.459 2.004 20 30 EEEDLO Cc1nc(N2C[C@@H]3[C@@H](CNC(=O)C#CC(C)(C)C)[C@@H]3C2)c(C)c(C)[nH+]1 ZINC001114543725 1211973185 /nfs/dbraw/zinc/97/31/85/1211973185.db2.gz BIQAJHIOSRLQHE-OSYLJGHBSA-N 1 2 340.471 2.250 20 30 EEEDLO C=C1CCC(C(=O)N(C)C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC000954441683 1212255551 /nfs/dbraw/zinc/25/55/51/1212255551.db2.gz ZDYIASRRJAQRGE-UHFFFAOYSA-N 1 2 344.459 2.148 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000956137522 1213555104 /nfs/dbraw/zinc/55/51/04/1213555104.db2.gz IUOLRNAFJAKRJZ-KBPBESRZSA-N 1 2 344.459 2.149 20 30 EEEDLO Cc1nocc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001015644516 1225501999 /nfs/dbraw/zinc/50/19/99/1225501999.db2.gz SMTHEUNWYVQMII-INIZCTEOSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1nocc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001015644516 1225502002 /nfs/dbraw/zinc/50/20/02/1225502002.db2.gz SMTHEUNWYVQMII-INIZCTEOSA-N 1 2 343.814 2.492 20 30 EEEDLO C#CCC1(C(=O)N2CCO[C@H]([C@H](C)Nc3cc[nH+]c(C)n3)C2)CCC1 ZINC001114642803 1214373875 /nfs/dbraw/zinc/37/38/75/1214373875.db2.gz DFVRIUQTWUWSBJ-HOCLYGCPSA-N 1 2 342.443 2.006 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccncc3Cl)C2)c1 ZINC001015678929 1225542051 /nfs/dbraw/zinc/54/20/51/1225542051.db2.gz QOIPZCZPQLIRQQ-INIZCTEOSA-N 1 2 340.814 2.116 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccncc3Cl)C2)c1 ZINC001015678929 1225542054 /nfs/dbraw/zinc/54/20/54/1225542054.db2.gz QOIPZCZPQLIRQQ-INIZCTEOSA-N 1 2 340.814 2.116 20 30 EEEDLO CC1CCC(N(C(=O)CO[NH+]=C(N)Cc2cccnc2)C2CC2)CC1 ZINC000092915619 1214693513 /nfs/dbraw/zinc/69/35/13/1214693513.db2.gz QDCNJQYMNCTOIL-UHFFFAOYSA-N 1 2 344.459 2.483 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCN2CC(F)(F)F)C1 ZINC000957422069 1215114930 /nfs/dbraw/zinc/11/49/30/1215114930.db2.gz HZRFVKNHQITQRW-AWEZNQCLSA-N 1 2 333.398 2.122 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)c4ncccn4)C[C@H]32)CCC1 ZINC001114783466 1215285777 /nfs/dbraw/zinc/28/57/77/1215285777.db2.gz QASHCJOSOFIQGK-WCVJEAGWSA-N 1 2 326.444 2.330 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)c4ncccn4)C[C@H]32)CCC1 ZINC001114783466 1215285780 /nfs/dbraw/zinc/28/57/80/1215285780.db2.gz QASHCJOSOFIQGK-WCVJEAGWSA-N 1 2 326.444 2.330 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001015721161 1225593578 /nfs/dbraw/zinc/59/35/78/1225593578.db2.gz CRVZZFQLPGFVKJ-ZNMIVQPWSA-N 1 2 335.835 2.017 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001015721161 1225593582 /nfs/dbraw/zinc/59/35/82/1225593582.db2.gz CRVZZFQLPGFVKJ-ZNMIVQPWSA-N 1 2 335.835 2.017 20 30 EEEDLO N#Cc1cccc([C@@H](O)C[N@@H+]2CCNC(=O)[C@H]2CC2CCCCC2)c1 ZINC001413006706 1216468152 /nfs/dbraw/zinc/46/81/52/1216468152.db2.gz FXHFHRFXUCTSNP-MOPGFXCFSA-N 1 2 341.455 2.362 20 30 EEEDLO N#Cc1cccc([C@@H](O)C[N@H+]2CCNC(=O)[C@H]2CC2CCCCC2)c1 ZINC001413006706 1216468156 /nfs/dbraw/zinc/46/81/56/1216468156.db2.gz FXHFHRFXUCTSNP-MOPGFXCFSA-N 1 2 341.455 2.362 20 30 EEEDLO C[N@@H+](Cc1coc(C2CC2)n1)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000960615310 1216737645 /nfs/dbraw/zinc/73/76/45/1216737645.db2.gz WRMUEISZRBQPDV-QGZVFWFLSA-N 1 2 327.428 2.388 20 30 EEEDLO C[N@H+](Cc1coc(C2CC2)n1)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000960615310 1216737651 /nfs/dbraw/zinc/73/76/51/1216737651.db2.gz WRMUEISZRBQPDV-QGZVFWFLSA-N 1 2 327.428 2.388 20 30 EEEDLO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccns3)C2)cc1 ZINC001015809873 1225697293 /nfs/dbraw/zinc/69/72/93/1225697293.db2.gz WEDHXCNWTNMCKI-OAHLLOKOSA-N 1 2 341.436 2.159 20 30 EEEDLO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccns3)C2)cc1 ZINC001015809873 1225697298 /nfs/dbraw/zinc/69/72/98/1225697298.db2.gz WEDHXCNWTNMCKI-OAHLLOKOSA-N 1 2 341.436 2.159 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C)CC=CC1 ZINC000961672182 1217268905 /nfs/dbraw/zinc/26/89/05/1217268905.db2.gz ANNITGAQYXNRAD-ITGUQSILSA-N 1 2 325.250 2.298 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C)CC=CC1 ZINC000961672182 1217268908 /nfs/dbraw/zinc/26/89/08/1217268908.db2.gz ANNITGAQYXNRAD-ITGUQSILSA-N 1 2 325.250 2.298 20 30 EEEDLO O=C(C#CC1CC1)N1CCC[C@H]([C@@H]2CCC[N@@H+]2Cc2cnsn2)C1 ZINC000963300466 1217490339 /nfs/dbraw/zinc/49/03/39/1217490339.db2.gz CDTSZOSNVKGCAB-RDJZCZTQSA-N 1 2 344.484 2.155 20 30 EEEDLO O=C(C#CC1CC1)N1CCC[C@H]([C@@H]2CCC[N@H+]2Cc2cnsn2)C1 ZINC000963300466 1217490342 /nfs/dbraw/zinc/49/03/42/1217490342.db2.gz CDTSZOSNVKGCAB-RDJZCZTQSA-N 1 2 344.484 2.155 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000964594322 1218474702 /nfs/dbraw/zinc/47/47/02/1218474702.db2.gz JJBCBFUIKHETKE-QGZVFWFLSA-N 1 2 344.459 2.196 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](NC(=O)C(C)C)C2)c1 ZINC000965244668 1218984722 /nfs/dbraw/zinc/98/47/22/1218984722.db2.gz IVVISJLNAOVHFP-MAUKXSAKSA-N 1 2 341.455 2.089 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](NC(=O)C(C)C)C2)c1 ZINC000965244668 1218984724 /nfs/dbraw/zinc/98/47/24/1218984724.db2.gz IVVISJLNAOVHFP-MAUKXSAKSA-N 1 2 341.455 2.089 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)c1ncc[nH]1 ZINC000966000772 1219435685 /nfs/dbraw/zinc/43/56/85/1219435685.db2.gz RRWGDCJMUXBGTJ-WBMJQRKESA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)c1ncc[nH]1 ZINC000966000772 1219435688 /nfs/dbraw/zinc/43/56/88/1219435688.db2.gz RRWGDCJMUXBGTJ-WBMJQRKESA-N 1 2 341.390 2.061 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc3n[nH]cc3c2)C1 ZINC000966899499 1220106114 /nfs/dbraw/zinc/10/61/14/1220106114.db2.gz JMZUMHVYIFCASJ-HZMBPMFUSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc3n[nH]cc3c2)C1 ZINC000966899499 1220106118 /nfs/dbraw/zinc/10/61/18/1220106118.db2.gz JMZUMHVYIFCASJ-HZMBPMFUSA-N 1 2 333.823 2.151 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)nc1 ZINC001016025418 1225971079 /nfs/dbraw/zinc/97/10/79/1225971079.db2.gz WUIIHTXUMGMYJR-OAHLLOKOSA-N 1 2 341.361 2.345 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(F)c3F)C2)nc1 ZINC001016025418 1225971080 /nfs/dbraw/zinc/97/10/80/1225971080.db2.gz WUIIHTXUMGMYJR-OAHLLOKOSA-N 1 2 341.361 2.345 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(Cl)n3)C2)cn1 ZINC001016026038 1225971104 /nfs/dbraw/zinc/97/11/04/1225971104.db2.gz CGMXNCRWFLDQET-INIZCTEOSA-N 1 2 340.814 2.116 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(Cl)n3)C2)cn1 ZINC001016026038 1225971107 /nfs/dbraw/zinc/97/11/07/1225971107.db2.gz CGMXNCRWFLDQET-INIZCTEOSA-N 1 2 340.814 2.116 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(Cl)no3)C2)cc1F ZINC001016068735 1226027170 /nfs/dbraw/zinc/02/71/70/1226027170.db2.gz UNFIEFQJIWKZNT-GFCCVEGCSA-N 1 2 348.765 2.343 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cc(Cl)no3)C2)cc1F ZINC001016068735 1226027174 /nfs/dbraw/zinc/02/71/74/1226027174.db2.gz UNFIEFQJIWKZNT-GFCCVEGCSA-N 1 2 348.765 2.343 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCCCC[N@@H+]2Cc2ncccn2)c1 ZINC000969022670 1221747734 /nfs/dbraw/zinc/74/77/34/1221747734.db2.gz HCSIFLWYMPXYKC-SFHVURJKSA-N 1 2 349.438 2.028 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCCCC[N@H+]2Cc2ncccn2)c1 ZINC000969022670 1221747739 /nfs/dbraw/zinc/74/77/39/1221747739.db2.gz HCSIFLWYMPXYKC-SFHVURJKSA-N 1 2 349.438 2.028 20 30 EEEDLO C#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC000969093363 1221802014 /nfs/dbraw/zinc/80/20/14/1221802014.db2.gz LNVXARHEWWKEEE-GJZGRUSLSA-N 1 2 328.460 2.142 20 30 EEEDLO C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC000969093363 1221802021 /nfs/dbraw/zinc/80/20/21/1221802021.db2.gz LNVXARHEWWKEEE-GJZGRUSLSA-N 1 2 328.460 2.142 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3cccnc3)C2)cc1F ZINC001006593189 1221851291 /nfs/dbraw/zinc/85/12/91/1221851291.db2.gz YJPQAIDCHRLOLL-KRWDZBQOSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3cccnc3)C2)cc1F ZINC001006593189 1221851296 /nfs/dbraw/zinc/85/12/96/1221851296.db2.gz YJPQAIDCHRLOLL-KRWDZBQOSA-N 1 2 338.386 2.487 20 30 EEEDLO Cc1nnsc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001006698019 1221900737 /nfs/dbraw/zinc/90/07/37/1221900737.db2.gz JRHSNZWJYWZCOZ-OAHLLOKOSA-N 1 2 341.440 2.113 20 30 EEEDLO Cc1nnsc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001006698019 1221900739 /nfs/dbraw/zinc/90/07/39/1221900739.db2.gz JRHSNZWJYWZCOZ-OAHLLOKOSA-N 1 2 341.440 2.113 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)sc1C ZINC001007027442 1222065999 /nfs/dbraw/zinc/06/59/99/1222065999.db2.gz DZAOVPUCQLCROR-CQSZACIVSA-N 1 2 343.456 2.354 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)sc1C ZINC001007027442 1222066002 /nfs/dbraw/zinc/06/60/02/1222066002.db2.gz DZAOVPUCQLCROR-CQSZACIVSA-N 1 2 343.456 2.354 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+](Cc3nc4ccccc4o3)C2)c1 ZINC001007054728 1222076441 /nfs/dbraw/zinc/07/64/41/1222076441.db2.gz FUIDFNRFWWFYMG-AWEZNQCLSA-N 1 2 349.394 2.422 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](Cc3nc4ccccc4o3)C2)c1 ZINC001007054728 1222076444 /nfs/dbraw/zinc/07/64/44/1222076444.db2.gz FUIDFNRFWWFYMG-AWEZNQCLSA-N 1 2 349.394 2.422 20 30 EEEDLO CCn1ccnc1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001007232752 1222139837 /nfs/dbraw/zinc/13/98/37/1222139837.db2.gz ICICYQVZMKXLOP-SFHVURJKSA-N 1 2 336.439 2.149 20 30 EEEDLO CCn1ccnc1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001007232752 1222139839 /nfs/dbraw/zinc/13/98/39/1222139839.db2.gz ICICYQVZMKXLOP-SFHVURJKSA-N 1 2 336.439 2.149 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001007531148 1222279186 /nfs/dbraw/zinc/27/91/86/1222279186.db2.gz FDZCBSMUCLWQBY-HNNXBMFYSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001007531148 1222279191 /nfs/dbraw/zinc/27/91/91/1222279191.db2.gz FDZCBSMUCLWQBY-HNNXBMFYSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001007531149 1222279392 /nfs/dbraw/zinc/27/93/92/1222279392.db2.gz FDZCBSMUCLWQBY-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001007531149 1222279395 /nfs/dbraw/zinc/27/93/95/1222279395.db2.gz FDZCBSMUCLWQBY-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(OC)nn3)C2)CC1 ZINC001008408602 1222815972 /nfs/dbraw/zinc/81/59/72/1222815972.db2.gz CGXYFEWDLWMGGE-MRXNPFEDSA-N 1 2 344.459 2.312 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(OC)nn3)C2)CC1 ZINC001008408602 1222815979 /nfs/dbraw/zinc/81/59/79/1222815979.db2.gz CGXYFEWDLWMGGE-MRXNPFEDSA-N 1 2 344.459 2.312 20 30 EEEDLO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CCOC1 ZINC001008987541 1223104726 /nfs/dbraw/zinc/10/47/26/1223104726.db2.gz VRLZYDRAEUWQDZ-APWZRJJASA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CCOC1 ZINC001008987541 1223104728 /nfs/dbraw/zinc/10/47/28/1223104728.db2.gz VRLZYDRAEUWQDZ-APWZRJJASA-N 1 2 345.418 2.205 20 30 EEEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC001009257528 1223190960 /nfs/dbraw/zinc/19/09/60/1223190960.db2.gz FAXCFUCYHLSPJS-BMWLXYDHSA-N 1 2 333.819 2.040 20 30 EEEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC001009257528 1223190962 /nfs/dbraw/zinc/19/09/62/1223190962.db2.gz FAXCFUCYHLSPJS-BMWLXYDHSA-N 1 2 333.819 2.040 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001009354312 1223219668 /nfs/dbraw/zinc/21/96/68/1223219668.db2.gz RLXVMNQVCSPPOM-FQEVSTJZSA-N 1 2 348.450 2.090 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@H+](Cc2cnc(C)nc2)C1 ZINC001009354312 1223219670 /nfs/dbraw/zinc/21/96/70/1223219670.db2.gz RLXVMNQVCSPPOM-FQEVSTJZSA-N 1 2 348.450 2.090 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)Cc3ccc[nH]3)C2)c(F)c1 ZINC001009569853 1223288549 /nfs/dbraw/zinc/28/85/49/1223288549.db2.gz BVDMNRONNBZZLY-KRWDZBQOSA-N 1 2 340.402 2.349 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)Cc3ccc[nH]3)C2)c(F)c1 ZINC001009569853 1223288550 /nfs/dbraw/zinc/28/85/50/1223288550.db2.gz BVDMNRONNBZZLY-KRWDZBQOSA-N 1 2 340.402 2.349 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001009747458 1223353858 /nfs/dbraw/zinc/35/38/58/1223353858.db2.gz CKQCNQIRQQIIFN-KRWDZBQOSA-N 1 2 340.402 2.103 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001009747458 1223353861 /nfs/dbraw/zinc/35/38/61/1223353861.db2.gz CKQCNQIRQQIIFN-KRWDZBQOSA-N 1 2 340.402 2.103 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)[nH]1 ZINC001010386153 1223693810 /nfs/dbraw/zinc/69/38/10/1223693810.db2.gz RTEXDVIILTULPW-INIZCTEOSA-N 1 2 342.830 2.227 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)[nH]1 ZINC001010386153 1223693811 /nfs/dbraw/zinc/69/38/11/1223693811.db2.gz RTEXDVIILTULPW-INIZCTEOSA-N 1 2 342.830 2.227 20 30 EEEDLO Cc1ccncc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010422173 1223713370 /nfs/dbraw/zinc/71/33/70/1223713370.db2.gz VLWQERUTHLRYPS-GOSISDBHSA-N 1 2 337.398 2.385 20 30 EEEDLO Cc1ccncc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010422173 1223713371 /nfs/dbraw/zinc/71/33/71/1223713371.db2.gz VLWQERUTHLRYPS-GOSISDBHSA-N 1 2 337.398 2.385 20 30 EEEDLO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1)n1cccc1 ZINC001010564507 1223785083 /nfs/dbraw/zinc/78/50/83/1223785083.db2.gz DQCCIRBLKBUANL-YOEHRIQHSA-N 1 2 340.402 2.451 20 30 EEEDLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1)n1cccc1 ZINC001010564507 1223785084 /nfs/dbraw/zinc/78/50/84/1223785084.db2.gz DQCCIRBLKBUANL-YOEHRIQHSA-N 1 2 340.402 2.451 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(O)ccc3Cl)C2)[nH]1 ZINC001010660470 1223839323 /nfs/dbraw/zinc/83/93/23/1223839323.db2.gz ZPIYVWLXVADWSD-ZDUSSCGKSA-N 1 2 344.802 2.250 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(O)ccc3Cl)C2)[nH]1 ZINC001010660470 1223839325 /nfs/dbraw/zinc/83/93/25/1223839325.db2.gz ZPIYVWLXVADWSD-ZDUSSCGKSA-N 1 2 344.802 2.250 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)ns1 ZINC001010771846 1223899638 /nfs/dbraw/zinc/89/96/38/1223899638.db2.gz DDJFYEFKVRKWHB-OAHLLOKOSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)ns1 ZINC001010771846 1223899641 /nfs/dbraw/zinc/89/96/41/1223899641.db2.gz DDJFYEFKVRKWHB-OAHLLOKOSA-N 1 2 326.425 2.328 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCOCC3)C2)c1 ZINC001010809679 1223918223 /nfs/dbraw/zinc/91/82/23/1223918223.db2.gz UDRDXEMGPBHLOQ-RDJZCZTQSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCCOCC3)C2)c1 ZINC001010809679 1223918226 /nfs/dbraw/zinc/91/82/26/1223918226.db2.gz UDRDXEMGPBHLOQ-RDJZCZTQSA-N 1 2 345.418 2.205 20 30 EEEDLO CCc1noc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001016228365 1226228862 /nfs/dbraw/zinc/22/88/62/1226228862.db2.gz GTBAPFWRVTVARU-LBPRGKRZSA-N 1 2 344.440 2.483 20 30 EEEDLO CCc1noc(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001016228365 1226228864 /nfs/dbraw/zinc/22/88/64/1226228864.db2.gz GTBAPFWRVTVARU-LBPRGKRZSA-N 1 2 344.440 2.483 20 30 EEEDLO CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)cn1 ZINC001014609468 1226839093 /nfs/dbraw/zinc/83/90/93/1226839093.db2.gz FFEUNFDGNQOQMI-LJQANCHMSA-N 1 2 349.434 2.336 20 30 EEEDLO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cn1 ZINC001014609468 1226839096 /nfs/dbraw/zinc/83/90/96/1226839096.db2.gz FFEUNFDGNQOQMI-LJQANCHMSA-N 1 2 349.434 2.336 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2(F)F)c1 ZINC001017533544 1227497656 /nfs/dbraw/zinc/49/76/56/1227497656.db2.gz OWCXUTULQOKPFM-XHSDSOJGSA-N 1 2 331.366 2.389 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2(F)F)c1 ZINC001017533544 1227497660 /nfs/dbraw/zinc/49/76/60/1227497660.db2.gz OWCXUTULQOKPFM-XHSDSOJGSA-N 1 2 331.366 2.389 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001019029824 1228653401 /nfs/dbraw/zinc/65/34/01/1228653401.db2.gz JYJJCXYJGYPYID-HNNXBMFYSA-N 1 2 344.459 2.107 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH2+]Cc3csc(NC(C)=O)n3)C2)C1 ZINC001019352215 1229020281 /nfs/dbraw/zinc/02/02/81/1229020281.db2.gz HTOBTWCBBSSEOH-ZDUSSCGKSA-N 1 2 348.472 2.148 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001038174759 1229677197 /nfs/dbraw/zinc/67/71/97/1229677197.db2.gz OPWVTYDSHYYVJE-HZPDHXFCSA-N 1 2 327.428 2.303 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001038174759 1229677199 /nfs/dbraw/zinc/67/71/99/1229677199.db2.gz OPWVTYDSHYYVJE-HZPDHXFCSA-N 1 2 327.428 2.303 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCCn2nccc21 ZINC001038433583 1229816458 /nfs/dbraw/zinc/81/64/58/1229816458.db2.gz UNCYAJSCAJLBMB-MOPGFXCFSA-N 1 2 348.450 2.003 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCCn2nccc21 ZINC001038433583 1229816460 /nfs/dbraw/zinc/81/64/60/1229816460.db2.gz UNCYAJSCAJLBMB-MOPGFXCFSA-N 1 2 348.450 2.003 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@]23C[C@H]2CCC3)cc1C#N ZINC001038527287 1229896943 /nfs/dbraw/zinc/89/69/43/1229896943.db2.gz JHCRNPITVFPYLQ-FUHIMQAGSA-N 1 2 339.439 2.448 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@]23C[C@H]2CCC3)cc1C#N ZINC001038527287 1229896945 /nfs/dbraw/zinc/89/69/45/1229896945.db2.gz JHCRNPITVFPYLQ-FUHIMQAGSA-N 1 2 339.439 2.448 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1Cc2ccncc2C1 ZINC001038703054 1229985399 /nfs/dbraw/zinc/98/53/99/1229985399.db2.gz HZLGATMKHYLSFD-PZJWPPBQSA-N 1 2 345.446 2.039 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1Cc2ccncc2C1 ZINC001038703054 1229985401 /nfs/dbraw/zinc/98/54/01/1229985401.db2.gz HZLGATMKHYLSFD-PZJWPPBQSA-N 1 2 345.446 2.039 20 30 EEEDLO CCn1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)c(C)n1 ZINC001038755005 1230026121 /nfs/dbraw/zinc/02/61/21/1230026121.db2.gz UMLYPDPDADHCLY-QGZVFWFLSA-N 1 2 337.427 2.087 20 30 EEEDLO CCn1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)c(C)n1 ZINC001038755005 1230026124 /nfs/dbraw/zinc/02/61/24/1230026124.db2.gz UMLYPDPDADHCLY-QGZVFWFLSA-N 1 2 337.427 2.087 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(Cl)no2)cc1 ZINC001038945514 1230183046 /nfs/dbraw/zinc/18/30/46/1230183046.db2.gz RTEVZYWFPUMECT-ZDUSSCGKSA-N 1 2 330.775 2.204 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(Cl)no2)cc1 ZINC001038945514 1230183050 /nfs/dbraw/zinc/18/30/50/1230183050.db2.gz RTEVZYWFPUMECT-ZDUSSCGKSA-N 1 2 330.775 2.204 20 30 EEEDLO CC(C)[C@@H](O)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039567805 1230697794 /nfs/dbraw/zinc/69/77/94/1230697794.db2.gz LCACRCVELVYQBM-CEXWTWQISA-N 1 2 341.455 2.140 20 30 EEEDLO CC(C)[C@@H](O)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039567805 1230697797 /nfs/dbraw/zinc/69/77/97/1230697797.db2.gz LCACRCVELVYQBM-CEXWTWQISA-N 1 2 341.455 2.140 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cnn(C)c2)C1 ZINC001039906036 1230900773 /nfs/dbraw/zinc/90/07/73/1230900773.db2.gz DANSJGGXSQGKFB-CALCHBBNSA-N 1 2 328.460 2.342 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cnn(C)c2)C1 ZINC001039906036 1230900776 /nfs/dbraw/zinc/90/07/76/1230900776.db2.gz DANSJGGXSQGKFB-CALCHBBNSA-N 1 2 328.460 2.342 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1nncn1C)C2 ZINC001040322293 1231169026 /nfs/dbraw/zinc/16/90/26/1231169026.db2.gz JHMOIPNOFJKBGW-IBGZPJMESA-N 1 2 345.491 2.232 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1nncn1C)C2 ZINC001040322293 1231169031 /nfs/dbraw/zinc/16/90/31/1231169031.db2.gz JHMOIPNOFJKBGW-IBGZPJMESA-N 1 2 345.491 2.232 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1nncn1C)C2 ZINC001040370761 1231190644 /nfs/dbraw/zinc/19/06/44/1231190644.db2.gz DHJSXPDNCZMJFN-RBUKOAKNSA-N 1 2 345.491 2.232 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1nncn1C)C2 ZINC001040370761 1231190645 /nfs/dbraw/zinc/19/06/45/1231190645.db2.gz DHJSXPDNCZMJFN-RBUKOAKNSA-N 1 2 345.491 2.232 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@H](CNc3cc[nH+]c(C)n3)[C@@H](C)C2)c1 ZINC001040446591 1231238469 /nfs/dbraw/zinc/23/84/69/1231238469.db2.gz IDYIXBVKSAGEDV-WMLDXEAASA-N 1 2 349.438 2.372 20 30 EEEDLO Cc1nc(N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2ccc(C#N)[nH]2)C3)cc[nH+]1 ZINC001054810989 1249126037 /nfs/dbraw/zinc/12/60/37/1249126037.db2.gz AJEQOXOGNSGLON-CFVMTHIKSA-N 1 2 336.399 2.090 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ncnn4CC)C3)C2)C1 ZINC001041654388 1231639077 /nfs/dbraw/zinc/63/90/77/1231639077.db2.gz ZVVZMVFHSDRQAC-IBGZPJMESA-N 1 2 343.475 2.079 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@]3(CC[N@H+](Cc4ncnn4CC)C3)C2)C1 ZINC001041654388 1231639081 /nfs/dbraw/zinc/63/90/81/1231639081.db2.gz ZVVZMVFHSDRQAC-IBGZPJMESA-N 1 2 343.475 2.079 20 30 EEEDLO CC(C)C#CC(=O)N(C)CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001067365510 1231649053 /nfs/dbraw/zinc/64/90/53/1231649053.db2.gz LMBWHDPJXAMPEE-UHFFFAOYSA-N 1 2 340.427 2.143 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3cn(CC)nn3)[C@@H]2C1 ZINC001042182344 1231941637 /nfs/dbraw/zinc/94/16/37/1231941637.db2.gz DSLJVODBTQDDIE-DOTOQJQBSA-N 1 2 345.491 2.323 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3cn(CC)nn3)[C@@H]2C1 ZINC001042182344 1231941638 /nfs/dbraw/zinc/94/16/38/1231941638.db2.gz DSLJVODBTQDDIE-DOTOQJQBSA-N 1 2 345.491 2.323 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](CCc2ccccc2F)C1 ZINC001043924090 1232626138 /nfs/dbraw/zinc/62/61/38/1232626138.db2.gz RPEUQTRHSHGEBC-AEFFLSMTSA-N 1 2 332.419 2.102 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2cccc(OC)c2)C1 ZINC001043921843 1232626247 /nfs/dbraw/zinc/62/62/47/1232626247.db2.gz BMWVODCRAYUGFI-KYNGSXCRSA-N 1 2 344.455 2.490 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001045053059 1233469416 /nfs/dbraw/zinc/46/94/16/1233469416.db2.gz DMQSMHULDYOPJK-LBPRGKRZSA-N 1 2 326.828 2.237 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncnn1CC ZINC001045824805 1234039010 /nfs/dbraw/zinc/03/90/10/1234039010.db2.gz CJCRPMBIDWARIO-CVEARBPZSA-N 1 2 345.491 2.466 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncnn1CC ZINC001045824805 1234039014 /nfs/dbraw/zinc/03/90/14/1234039014.db2.gz CJCRPMBIDWARIO-CVEARBPZSA-N 1 2 345.491 2.466 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnn(CC)n1 ZINC001045840800 1234055953 /nfs/dbraw/zinc/05/59/53/1234055953.db2.gz PWKSSOBCDWKBEM-ZIFCJYIRSA-N 1 2 345.491 2.466 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnn(CC)n1 ZINC001045840800 1234055956 /nfs/dbraw/zinc/05/59/56/1234055956.db2.gz PWKSSOBCDWKBEM-ZIFCJYIRSA-N 1 2 345.491 2.466 20 30 EEEDLO Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cc1Cl ZINC001046056153 1234385860 /nfs/dbraw/zinc/38/58/60/1234385860.db2.gz AMIAUYDGHXQCOX-INIZCTEOSA-N 1 2 346.862 2.004 20 30 EEEDLO Cc1ccc(Cl)cc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046071975 1234405844 /nfs/dbraw/zinc/40/58/44/1234405844.db2.gz PCURZQMCTUJHST-MRXNPFEDSA-N 1 2 346.862 2.004 20 30 EEEDLO C=CCCCC(=O)NCCCN(c1[nH+]cnc2c1cnn2C)C1CC1 ZINC001096070473 1234413707 /nfs/dbraw/zinc/41/37/07/1234413707.db2.gz BXMJLERZGLXBSB-UHFFFAOYSA-N 1 2 342.447 2.195 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+]1CC[C@@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046253418 1234598112 /nfs/dbraw/zinc/59/81/12/1234598112.db2.gz YFXHZIHUNOCJSD-GOSISDBHSA-N 1 2 341.415 2.392 20 30 EEEDLO CC(C)c1ocnc1C[N@H+]1CC[C@@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046253418 1234598115 /nfs/dbraw/zinc/59/81/15/1234598115.db2.gz YFXHZIHUNOCJSD-GOSISDBHSA-N 1 2 341.415 2.392 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001046318081 1234663245 /nfs/dbraw/zinc/66/32/45/1234663245.db2.gz APJITLAVKNNMAH-JTDSTZFVSA-N 1 2 347.459 2.353 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001046318081 1234663246 /nfs/dbraw/zinc/66/32/46/1234663246.db2.gz APJITLAVKNNMAH-JTDSTZFVSA-N 1 2 347.459 2.353 20 30 EEEDLO C[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)Nc1ccc(C#N)cn1 ZINC001098038557 1249383147 /nfs/dbraw/zinc/38/31/47/1249383147.db2.gz XAIZLSGFKGHVLW-CQSZACIVSA-N 1 2 346.394 2.369 20 30 EEEDLO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2nccn21 ZINC001413205425 1234743759 /nfs/dbraw/zinc/74/37/59/1234743759.db2.gz MZAHTTFSXYXOIT-COXVUDFISA-N 1 2 335.411 2.151 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046526654 1234907023 /nfs/dbraw/zinc/90/70/23/1234907023.db2.gz YVYLIICMHYQPAH-SFHVURJKSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046526654 1234907027 /nfs/dbraw/zinc/90/70/27/1234907027.db2.gz YVYLIICMHYQPAH-SFHVURJKSA-N 1 2 341.390 2.123 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001046632130 1235015001 /nfs/dbraw/zinc/01/50/01/1235015001.db2.gz RYGDRZFPXJFGEA-KEYYUXOJSA-N 1 2 335.473 2.123 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2nc(C)cs2)C1 ZINC001046632130 1235015004 /nfs/dbraw/zinc/01/50/04/1235015004.db2.gz RYGDRZFPXJFGEA-KEYYUXOJSA-N 1 2 335.473 2.123 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)CCCN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001067712825 1249414811 /nfs/dbraw/zinc/41/48/11/1249414811.db2.gz SGFLTXMSUMLAIV-UHFFFAOYSA-N 1 2 347.459 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001046872362 1235269698 /nfs/dbraw/zinc/26/96/98/1235269698.db2.gz DGSDAXKQALYTRD-KRWDZBQOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001046872362 1235269701 /nfs/dbraw/zinc/26/97/01/1235269701.db2.gz DGSDAXKQALYTRD-KRWDZBQOSA-N 1 2 345.834 2.214 20 30 EEEDLO CCn1c[nH+]cc1/C=C/C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000901429417 1235784395 /nfs/dbraw/zinc/78/43/95/1235784395.db2.gz VMVLOYPTNBNBSC-JXMROGBWSA-N 1 2 333.413 2.049 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096184883 1236020000 /nfs/dbraw/zinc/02/00/00/1236020000.db2.gz CCWGOUIOWMGMKE-GOEBONIOSA-N 1 2 344.459 2.339 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001096236814 1236474592 /nfs/dbraw/zinc/47/45/92/1236474592.db2.gz VIFQYSWFTKAOBY-ZDUSSCGKSA-N 1 2 342.447 2.051 20 30 EEEDLO CCC[C@H](C)CC(=O)NCC[NH+]1CCN(c2ccncc2C#N)CC1 ZINC001096278344 1237017260 /nfs/dbraw/zinc/01/72/60/1237017260.db2.gz HTAJYUPWDGKPOR-INIZCTEOSA-N 1 2 343.475 2.018 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[NH+]1CCN(c2cccc(F)n2)CC1 ZINC001096290917 1237145612 /nfs/dbraw/zinc/14/56/12/1237145612.db2.gz VXHNSZBXPANGNA-UHFFFAOYSA-N 1 2 334.439 2.061 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001056371626 1239270578 /nfs/dbraw/zinc/27/05/78/1239270578.db2.gz ZNMVHFQKAFHRKU-HZPDHXFCSA-N 1 2 344.459 2.291 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056516528 1239425727 /nfs/dbraw/zinc/42/57/27/1239425727.db2.gz UMCDKUZMGYDODP-ARFHVFGLSA-N 1 2 344.459 2.146 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C4CCC4)no3)C[C@@H]2C1 ZINC001048979817 1239645419 /nfs/dbraw/zinc/64/54/19/1239645419.db2.gz CNYLSRDZKCONDY-GASCZTMLSA-N 1 2 344.459 2.440 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C4CCC4)no3)C[C@@H]2C1 ZINC001048979817 1239645434 /nfs/dbraw/zinc/64/54/34/1239645434.db2.gz CNYLSRDZKCONDY-GASCZTMLSA-N 1 2 344.459 2.440 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@H]([NH2+]Cc3nnc(CC)o3)C2)CC1 ZINC001000078440 1239905917 /nfs/dbraw/zinc/90/59/17/1239905917.db2.gz QBAYNTGCIFXULV-HNNXBMFYSA-N 1 2 332.448 2.459 20 30 EEEDLO COc1nscc1C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C#CC1CC1 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OXTOSQHEWBXKGW-CQSZACIVSA-N 1 2 332.448 2.052 20 30 EEEDLO C#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(-c4ccccc4)[nH]n3)[C@@H]2C1 ZINC001050088689 1242828322 /nfs/dbraw/zinc/82/83/22/1242828322.db2.gz LHEWVQPJWSZEBO-QFBILLFUSA-N 1 2 334.423 2.246 20 30 EEEDLO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(-c4ccccc4)[nH]n3)[C@@H]2C1 ZINC001050088689 1242828337 /nfs/dbraw/zinc/82/83/37/1242828337.db2.gz LHEWVQPJWSZEBO-QFBILLFUSA-N 1 2 334.423 2.246 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc[nH]3)[C@@H]2C1 ZINC001049970407 1242928339 /nfs/dbraw/zinc/92/83/39/1242928339.db2.gz BXHCVQNJSJIQBB-GXTWGEPZSA-N 1 2 338.249 2.460 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc[nH]3)[C@@H]2C1 ZINC001049970407 1242928347 /nfs/dbraw/zinc/92/83/47/1242928347.db2.gz BXHCVQNJSJIQBB-GXTWGEPZSA-N 1 2 338.249 2.460 20 30 EEEDLO N#Cc1cccnc1N[C@@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001049972183 1242935045 /nfs/dbraw/zinc/93/50/45/1242935045.db2.gz KSRORVGQMNVYSK-OAHLLOKOSA-N 1 2 338.415 2.102 20 30 EEEDLO C=CCC1(C(=O)NC[C@@H](Nc2cc[nH+]c(C)n2)C2CC2)CCOCC1 ZINC001096703160 1243127388 /nfs/dbraw/zinc/12/73/88/1243127388.db2.gz GSWSUPGEEXQBQW-MRXNPFEDSA-N 1 2 344.459 2.465 20 30 EEEDLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(F)F)C3)cc1C#N ZINC001096704029 1243128296 /nfs/dbraw/zinc/12/82/96/1243128296.db2.gz IGHXJTYGFXKGTI-MCIONIFRSA-N 1 2 335.354 2.053 20 30 EEEDLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(F)F)C3)cc1C#N ZINC001096704029 1243128299 /nfs/dbraw/zinc/12/82/99/1243128299.db2.gz IGHXJTYGFXKGTI-MCIONIFRSA-N 1 2 335.354 2.053 20 30 EEEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)[nH]n1 ZINC001096822756 1243388264 /nfs/dbraw/zinc/38/82/64/1243388264.db2.gz WRIBKXMYTWDCLJ-LMMKCTJWSA-N 1 2 349.438 2.379 20 30 EEEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)[nH]n1 ZINC001096822756 1243388273 /nfs/dbraw/zinc/38/82/73/1243388273.db2.gz WRIBKXMYTWDCLJ-LMMKCTJWSA-N 1 2 349.438 2.379 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)NC(=O)C3)C2 ZINC001097125755 1243737358 /nfs/dbraw/zinc/73/73/58/1243737358.db2.gz WVVIOUFPZDCLSY-BMFZPTHFSA-N 1 2 345.830 2.269 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)NC(=O)C3)C2 ZINC001097125755 1243737372 /nfs/dbraw/zinc/73/73/72/1243737372.db2.gz WVVIOUFPZDCLSY-BMFZPTHFSA-N 1 2 345.830 2.269 20 30 EEEDLO CC(C)c1noc(C[NH+]2CCC3(CN(C(=O)C#CC4CC4)C3)CC2)n1 ZINC001050515614 1243766618 /nfs/dbraw/zinc/76/66/18/1243766618.db2.gz GLUCSINUOQKLMJ-UHFFFAOYSA-N 1 2 342.443 2.031 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3nc[nH]c3n1)C2 ZINC001097309536 1243970835 /nfs/dbraw/zinc/97/08/35/1243970835.db2.gz XRCVYMROXPWBBF-HONMWMINSA-N 1 2 331.807 2.046 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3nc[nH]c3n1)C2 ZINC001097309536 1243970849 /nfs/dbraw/zinc/97/08/49/1243970849.db2.gz XRCVYMROXPWBBF-HONMWMINSA-N 1 2 331.807 2.046 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc(C3CC3)cn1)C2 ZINC001097377971 1244073678 /nfs/dbraw/zinc/07/36/78/1244073678.db2.gz IKXVTCUVWUNHQI-OAGGEKHMSA-N 1 2 334.851 2.235 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc(C3CC3)cn1)C2 ZINC001097377971 1244073685 /nfs/dbraw/zinc/07/36/85/1244073685.db2.gz IKXVTCUVWUNHQI-OAGGEKHMSA-N 1 2 334.851 2.235 20 30 EEEDLO C=CCCC(=O)N[C@@H](C)[C@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001097525600 1244309577 /nfs/dbraw/zinc/30/95/77/1244309577.db2.gz WPZQBVORUGINDL-KBPBESRZSA-N 1 2 342.447 2.051 20 30 EEEDLO Cc1nsc(N[C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)c1C#N ZINC001057631420 1244491257 /nfs/dbraw/zinc/49/12/57/1244491257.db2.gz QOXIZEJIKMGIMN-GFCCVEGCSA-N 1 2 344.444 2.082 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2c(C)nnn2CC)C1 ZINC001097805716 1244608326 /nfs/dbraw/zinc/60/83/26/1244608326.db2.gz TVZKFJINDYQRRW-OAGGEKHMSA-N 1 2 343.475 2.184 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2c(C)nnn2CC)C1 ZINC001097805716 1244608333 /nfs/dbraw/zinc/60/83/33/1244608333.db2.gz TVZKFJINDYQRRW-OAGGEKHMSA-N 1 2 343.475 2.184 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H](C)[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001052691060 1244762600 /nfs/dbraw/zinc/76/26/00/1244762600.db2.gz OZQWZNSIVJCKNN-LSDHHAIUSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H](C)[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001052691060 1244762610 /nfs/dbraw/zinc/76/26/10/1244762610.db2.gz OZQWZNSIVJCKNN-LSDHHAIUSA-N 1 2 346.475 2.155 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001051033046 1244883159 /nfs/dbraw/zinc/88/31/59/1244883159.db2.gz DMVRABWAFNGBRL-RDJZCZTQSA-N 1 2 344.455 2.407 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001051033046 1244883164 /nfs/dbraw/zinc/88/31/64/1244883164.db2.gz DMVRABWAFNGBRL-RDJZCZTQSA-N 1 2 344.455 2.407 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001051061713 1244927750 /nfs/dbraw/zinc/92/77/50/1244927750.db2.gz UTDPLTWYUADZDY-HZPDHXFCSA-N 1 2 346.475 2.229 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001051130013 1245016241 /nfs/dbraw/zinc/01/62/41/1245016241.db2.gz OHSYPTQHWJGCTF-CQSZACIVSA-N 1 2 344.415 2.067 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001051130013 1245016248 /nfs/dbraw/zinc/01/62/48/1245016248.db2.gz OHSYPTQHWJGCTF-CQSZACIVSA-N 1 2 344.415 2.067 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccccc1 ZINC001051162539 1245067744 /nfs/dbraw/zinc/06/77/44/1245067744.db2.gz WEEJDYHSHXNSGM-OTWHNJEPSA-N 1 2 344.455 2.157 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccccc1 ZINC001051162539 1245067749 /nfs/dbraw/zinc/06/77/49/1245067749.db2.gz WEEJDYHSHXNSGM-OTWHNJEPSA-N 1 2 344.455 2.157 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001051167529 1245075597 /nfs/dbraw/zinc/07/55/97/1245075597.db2.gz VUOQYVUPJDHTRQ-RHSMWYFYSA-N 1 2 330.428 2.017 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001051167529 1245075607 /nfs/dbraw/zinc/07/56/07/1245075607.db2.gz VUOQYVUPJDHTRQ-RHSMWYFYSA-N 1 2 330.428 2.017 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2c(cccc2OC)[nH]1 ZINC001051242970 1245432326 /nfs/dbraw/zinc/43/23/26/1245432326.db2.gz ZBQNPZJRGBOMIY-CQSZACIVSA-N 1 2 343.427 2.183 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2c(cccc2OC)[nH]1 ZINC001051242970 1245432330 /nfs/dbraw/zinc/43/23/30/1245432330.db2.gz ZBQNPZJRGBOMIY-CQSZACIVSA-N 1 2 343.427 2.183 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1csc(C2CC2)n1 ZINC001051263869 1245453253 /nfs/dbraw/zinc/45/32/53/1245453253.db2.gz AUWFKENQJQRASO-AWEZNQCLSA-N 1 2 335.473 2.417 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1csc(C2CC2)n1 ZINC001051263869 1245453256 /nfs/dbraw/zinc/45/32/56/1245453256.db2.gz AUWFKENQJQRASO-AWEZNQCLSA-N 1 2 335.473 2.417 20 30 EEEDLO Cc1nc(N(CCNC(=O)C#CC2CC2)C2CC2)c2c([nH+]1)CCCC2 ZINC001101333566 1245674324 /nfs/dbraw/zinc/67/43/24/1245674324.db2.gz AJFTUJGPQKATOD-UHFFFAOYSA-N 1 2 338.455 2.162 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCCN(c1[nH+]cnc2c1cnn2C)C1CC1 ZINC001101420791 1245799650 /nfs/dbraw/zinc/79/96/50/1245799650.db2.gz BTJBTNRBUUPXGZ-UHFFFAOYSA-N 1 2 342.447 2.051 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001053076521 1245835344 /nfs/dbraw/zinc/83/53/44/1245835344.db2.gz ZPDFAIQJMFJMPF-HOTGVXAUSA-N 1 2 346.475 2.086 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCOC2(C[NH+]([C@@H]3CCCc4ccccc43)C2)C1 ZINC001053190612 1246029719 /nfs/dbraw/zinc/02/97/19/1246029719.db2.gz AOHMDAIOYXICHL-MAUKXSAKSA-N 1 2 339.439 2.137 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)/C=C\C(C)(C)C)c1nccn12 ZINC001101616981 1246042436 /nfs/dbraw/zinc/04/24/36/1246042436.db2.gz IQTZZXVIPZMCAS-ZPIQOJFGSA-N 1 2 326.444 2.081 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H](C)c1ccco1)c1nccn12 ZINC001101649863 1246080477 /nfs/dbraw/zinc/08/04/77/1246080477.db2.gz WUOJNGIFCIMASL-GJZGRUSLSA-N 1 2 340.427 2.428 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCC(F)(F)C1)CCO2 ZINC001053424137 1246316687 /nfs/dbraw/zinc/31/66/87/1246316687.db2.gz BBNOBAOTHWZCCZ-CQSZACIVSA-N 1 2 328.403 2.301 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc3cccnc3s1)CCO2 ZINC001053495693 1246396166 /nfs/dbraw/zinc/39/61/66/1246396166.db2.gz CKCOAKBTGXITIK-UHFFFAOYSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccc(C)c3F)C2)CC1 ZINC001052031587 1246396915 /nfs/dbraw/zinc/39/69/15/1246396915.db2.gz RJFHCWNQEUMAMX-INIZCTEOSA-N 1 2 331.435 2.152 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)CC1 ZINC001052057450 1246427676 /nfs/dbraw/zinc/42/76/76/1246427676.db2.gz PIINBZCXPCVAKG-ZGXWSNOMSA-N 1 2 343.515 2.055 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(C)cc3F)C2)CC1 ZINC001052087198 1246467005 /nfs/dbraw/zinc/46/70/05/1246467005.db2.gz ONKKRABMFSSGBD-MRXNPFEDSA-N 1 2 331.435 2.152 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)CC3CCCC3)C2)CC1 ZINC001052094842 1246474556 /nfs/dbraw/zinc/47/45/56/1246474556.db2.gz ZTUKIYDOMZUECR-PKOBYXMFSA-N 1 2 331.504 2.055 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(C)cc3)C2)CC1 ZINC001052111907 1246494445 /nfs/dbraw/zinc/49/44/45/1246494445.db2.gz GXEMEHQGWBPINC-LJQANCHMSA-N 1 2 327.472 2.403 20 30 EEEDLO CC(C)c1ccsc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052119370 1246502936 /nfs/dbraw/zinc/50/29/36/1246502936.db2.gz PZNIBUKVEQXACZ-HNNXBMFYSA-N 1 2 346.500 2.227 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc(C(C)C)n1)O2 ZINC001053627485 1246555248 /nfs/dbraw/zinc/55/52/48/1246555248.db2.gz YKUHRBWVBGKEAG-HNNXBMFYSA-N 1 2 329.444 2.354 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C3CC3)on1)O2 ZINC001053634039 1246566401 /nfs/dbraw/zinc/56/64/01/1246566401.db2.gz ILUYCHWJZDFCHO-CQSZACIVSA-N 1 2 331.416 2.091 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc3ccsc3c1)O2 ZINC001053636223 1246569028 /nfs/dbraw/zinc/56/90/28/1246569028.db2.gz ZHBYEEBPWAOUCE-CQSZACIVSA-N 1 2 343.452 2.446 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc3cc[nH]c31)O2 ZINC001053664685 1246611079 /nfs/dbraw/zinc/61/10/79/1246611079.db2.gz AYEWBQXQQORZMO-HNNXBMFYSA-N 1 2 325.412 2.317 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3ccncc3c1)O2 ZINC001053685068 1246645819 /nfs/dbraw/zinc/64/58/19/1246645819.db2.gz IGHCPIHJCBLJMP-SFHVURJKSA-N 1 2 337.423 2.384 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(CCC)on1)O2 ZINC001053685331 1246646080 /nfs/dbraw/zinc/64/60/80/1246646080.db2.gz MOYLCJCMOOIFOZ-OAHLLOKOSA-N 1 2 333.432 2.166 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(OCC)cc1)O2 ZINC001053694726 1246666200 /nfs/dbraw/zinc/66/62/00/1246666200.db2.gz XZBWTHXLLKQTTJ-QGZVFWFLSA-N 1 2 330.428 2.235 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc3ncsc3c1)O2 ZINC001053694373 1246666235 /nfs/dbraw/zinc/66/62/35/1246666235.db2.gz MUJKTJOFCGJYIJ-CQSZACIVSA-N 1 2 343.452 2.446 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]cc[nH+]1 ZINC001053826146 1246852559 /nfs/dbraw/zinc/85/25/59/1246852559.db2.gz MLXMIZBDUAXJGJ-MUJYYYPQSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1coc(C(F)F)c1)CO2 ZINC001053907011 1246996640 /nfs/dbraw/zinc/99/66/40/1246996640.db2.gz MQMNAPJHSLCMQE-LBPRGKRZSA-N 1 2 326.343 2.366 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1Cc3ccc(F)cc31)CO2 ZINC001053908075 1246996782 /nfs/dbraw/zinc/99/67/82/1246996782.db2.gz JYGWTLWJGMVJLM-RDJZCZTQSA-N 1 2 330.403 2.001 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(F)ccc1Cl)CO2 ZINC001053937403 1247034637 /nfs/dbraw/zinc/03/46/37/1247034637.db2.gz DDBHDPUMCHICBO-ZDUSSCGKSA-N 1 2 336.794 2.076 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1[C@@H]3CCCCCC[C@@H]13)CO2 ZINC001053938624 1247037678 /nfs/dbraw/zinc/03/76/78/1247037678.db2.gz WGYPUZRNNXZFIB-GVDBMIGSSA-N 1 2 330.472 2.186 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3ccn(C)c3c1)CO2 ZINC001053974005 1247089920 /nfs/dbraw/zinc/08/99/20/1247089920.db2.gz FDMFUAKLEOJUTG-QGZVFWFLSA-N 1 2 339.439 2.328 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1COC2(C[NH+](CC=C(C)C)C2)C1 ZINC001053993520 1247124006 /nfs/dbraw/zinc/12/40/06/1247124006.db2.gz NXQKIBGDFXLJEF-IBGZPJMESA-N 1 2 338.451 2.136 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001097919792 1247145670 /nfs/dbraw/zinc/14/56/70/1247145670.db2.gz OCFLZFVHQRKNRF-CHWSQXEVSA-N 1 2 332.448 2.172 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)c1ccc(F)c(F)c1)CO2 ZINC001054014110 1247148970 /nfs/dbraw/zinc/14/89/70/1247148970.db2.gz IHYKNKJTYISTDQ-UKRRQHHQSA-N 1 2 348.393 2.051 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc(C(C)C)s1)CO2 ZINC001054025835 1247167283 /nfs/dbraw/zinc/16/72/83/1247167283.db2.gz JOMNVKZWEWVGJZ-CYBMUJFWSA-N 1 2 335.473 2.416 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001052470507 1247361936 /nfs/dbraw/zinc/36/19/36/1247361936.db2.gz DJYUURAHVQRZMR-LSDHHAIUSA-N 1 2 346.475 2.155 20 30 EEEDLO C[C@H](Nc1ccc(C#N)cn1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001058026178 1248317447 /nfs/dbraw/zinc/31/74/47/1248317447.db2.gz SSLKKAZZUXJXTD-BBRMVZONSA-N 1 2 338.415 2.101 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@H](CNc3cc[nH+]c(C)n3)C[C@@H]2C)c1 ZINC001068373250 1250916427 /nfs/dbraw/zinc/91/64/27/1250916427.db2.gz LNWCJOFAKCICNT-BBRMVZONSA-N 1 2 335.411 2.124 20 30 EEEDLO C[C@H]1[C@H](Nc2ccc(C#N)nc2)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001068925496 1251929562 /nfs/dbraw/zinc/92/95/62/1251929562.db2.gz BWDCWHUVEMHRJP-XJKSGUPXSA-N 1 2 346.394 2.316 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC(CC)(NC(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001069609454 1253057021 /nfs/dbraw/zinc/05/70/21/1253057021.db2.gz KSPGQAPOZNREAK-UHFFFAOYSA-N 1 2 344.459 2.127 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001070821426 1253815387 /nfs/dbraw/zinc/81/53/87/1253815387.db2.gz YFWBNYFFFBMCIG-MRXNPFEDSA-N 1 2 345.443 2.096 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2csnn2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001071712682 1254550579 /nfs/dbraw/zinc/55/05/79/1254550579.db2.gz SFHKKCSFILVBFX-WDEREUQCSA-N 1 2 347.469 2.254 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2csnn2)C[N@H+]1Cc1ccc(C#N)s1 ZINC001071712682 1254550590 /nfs/dbraw/zinc/55/05/90/1254550590.db2.gz SFHKKCSFILVBFX-WDEREUQCSA-N 1 2 347.469 2.254 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001071886472 1254749090 /nfs/dbraw/zinc/74/90/90/1254749090.db2.gz DUHJIHRUZOGNLB-RHSMWYFYSA-N 1 2 337.427 2.373 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001071886472 1254749113 /nfs/dbraw/zinc/74/91/13/1254749113.db2.gz DUHJIHRUZOGNLB-RHSMWYFYSA-N 1 2 337.427 2.373 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001071886474 1254750503 /nfs/dbraw/zinc/75/05/03/1254750503.db2.gz DUHJIHRUZOGNLB-YOEHRIQHSA-N 1 2 337.427 2.373 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001071886474 1254750519 /nfs/dbraw/zinc/75/05/19/1254750519.db2.gz DUHJIHRUZOGNLB-YOEHRIQHSA-N 1 2 337.427 2.373 20 30 EEEDLO CCCCc1noc([C@H](C)[N@@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC001072544272 1255229540 /nfs/dbraw/zinc/22/95/40/1255229540.db2.gz GWUZYPJHUVEGNN-KBPBESRZSA-N 1 2 345.447 2.167 20 30 EEEDLO CCCCc1noc([C@H](C)[N@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC001072544272 1255229551 /nfs/dbraw/zinc/22/95/51/1255229551.db2.gz GWUZYPJHUVEGNN-KBPBESRZSA-N 1 2 345.447 2.167 20 30 EEEDLO C#CCCCCC(=O)N1CCC(C)(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001072960689 1255520950 /nfs/dbraw/zinc/52/09/50/1255520950.db2.gz PCAHMIYXLRBJDG-UHFFFAOYSA-N 1 2 344.459 2.033 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001074169064 1256767092 /nfs/dbraw/zinc/76/70/92/1256767092.db2.gz SQTUVSCGWKPIJW-WBVHZDCISA-N 1 2 346.475 2.062 20 30 EEEDLO 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/nfs/dbraw/zinc/50/79/74/1298507974.db2.gz BOTDEGZUHQLHMH-ZCNNSNEGSA-N 1 2 342.483 2.272 20 30 EEEDLO C=CCOCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nccn1CC ZINC001098971827 1298795106 /nfs/dbraw/zinc/79/51/06/1298795106.db2.gz SGDXDCVMBTYFSU-INIZCTEOSA-N 1 2 348.491 2.212 20 30 EEEDLO C=CCOCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nccn1CC ZINC001098971827 1298795117 /nfs/dbraw/zinc/79/51/17/1298795117.db2.gz SGDXDCVMBTYFSU-INIZCTEOSA-N 1 2 348.491 2.212 20 30 EEEDLO COC[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221440246 1298857182 /nfs/dbraw/zinc/85/71/82/1298857182.db2.gz VFNWETKTJQGUCT-JCKWVBRZSA-N 1 2 345.418 2.013 20 30 EEEDLO COC[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001221440246 1298857193 /nfs/dbraw/zinc/85/71/93/1298857193.db2.gz VFNWETKTJQGUCT-JCKWVBRZSA-N 1 2 345.418 2.013 20 30 EEEDLO C#CCOCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ncc(C)o1 ZINC001099075222 1298860276 /nfs/dbraw/zinc/86/02/76/1298860276.db2.gz XHQSNYAVGYRZHR-INIZCTEOSA-N 1 2 347.459 2.130 20 30 EEEDLO C#CCOCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ncc(C)o1 ZINC001099075222 1298860281 /nfs/dbraw/zinc/86/02/81/1298860281.db2.gz XHQSNYAVGYRZHR-INIZCTEOSA-N 1 2 347.459 2.130 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(F)c3F)C[C@H]21 ZINC001221541265 1298929674 /nfs/dbraw/zinc/92/96/74/1298929674.db2.gz UFZMLKOISTXDHA-JJRVBVJISA-N 1 2 348.393 2.036 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(F)c3F)C[C@H]21 ZINC001221541265 1298929687 /nfs/dbraw/zinc/92/96/87/1298929687.db2.gz UFZMLKOISTXDHA-JJRVBVJISA-N 1 2 348.393 2.036 20 30 EEEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C[C@H]21 ZINC001221544926 1298932073 /nfs/dbraw/zinc/93/20/73/1298932073.db2.gz NSOJQTZGUJMJNN-CRAIPNDOSA-N 1 2 348.393 2.037 20 30 EEEDLO C#CCOCCC(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C[C@H]21 ZINC001221544926 1298932074 /nfs/dbraw/zinc/93/20/74/1298932074.db2.gz NSOJQTZGUJMJNN-CRAIPNDOSA-N 1 2 348.393 2.037 20 30 EEEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(OC)no3)C[C@H]21 ZINC001221573704 1298944284 /nfs/dbraw/zinc/94/42/84/1298944284.db2.gz STQRTCRURYEOTL-NVXWUHKLSA-N 1 2 345.443 2.484 20 30 EEEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(OC)no3)C[C@H]21 ZINC001221573704 1298944294 /nfs/dbraw/zinc/94/42/94/1298944294.db2.gz STQRTCRURYEOTL-NVXWUHKLSA-N 1 2 345.443 2.484 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@](C)(CC)CCC)[C@@H]2C1 ZINC001221894927 1299167803 /nfs/dbraw/zinc/16/78/03/1299167803.db2.gz ODKPTIQKELDCDE-GPMSIDNRSA-N 1 2 335.492 2.038 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)(CC)CCC)[C@@H]2C1 ZINC001221894927 1299167811 /nfs/dbraw/zinc/16/78/11/1299167811.db2.gz ODKPTIQKELDCDE-GPMSIDNRSA-N 1 2 335.492 2.038 20 30 EEEDLO C=C1CC(C)(C(=O)NCC[C@@H](C)Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001099670682 1299336471 /nfs/dbraw/zinc/33/64/71/1299336471.db2.gz SLLIYXJUGLLXLH-CQSZACIVSA-N 1 2 343.475 2.128 20 30 EEEDLO C=C1CC(C)(C(=O)NCC[C@@H](C)Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001099670682 1299336481 /nfs/dbraw/zinc/33/64/81/1299336481.db2.gz SLLIYXJUGLLXLH-CQSZACIVSA-N 1 2 343.475 2.128 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)CC(C)(C)CC)c1nccn12 ZINC001101629749 1299703809 /nfs/dbraw/zinc/70/38/09/1299703809.db2.gz ZZLMQEIHWUVTRZ-HNNXBMFYSA-N 1 2 328.460 2.305 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001222635805 1299745481 /nfs/dbraw/zinc/74/54/81/1299745481.db2.gz BTGDXMCPAFSGGT-JTQLQIEISA-N 1 2 326.853 2.284 20 30 EEEDLO C=CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C[C@@H]21 ZINC001222724704 1299812773 /nfs/dbraw/zinc/81/27/73/1299812773.db2.gz BNUAALCLEUTIRO-FRRDWIJNSA-N 1 2 338.345 2.012 20 30 EEEDLO C=CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C[C@@H]21 ZINC001222724704 1299812783 /nfs/dbraw/zinc/81/27/83/1299812783.db2.gz BNUAALCLEUTIRO-FRRDWIJNSA-N 1 2 338.345 2.012 20 30 EEEDLO C#CCOCCC(=O)NCC1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC001223174589 1299998864 /nfs/dbraw/zinc/99/88/64/1299998864.db2.gz ITMMSXGMSCTZRK-GXDHUFHOSA-N 1 2 333.259 2.174 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)[nH]3)[C@H]2C1 ZINC001223345321 1300094825 /nfs/dbraw/zinc/09/48/25/1300094825.db2.gz ZSAXNYPBGDOXOJ-IMJJTQAJSA-N 1 2 331.464 2.138 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)[nH]3)[C@H]2C1 ZINC001223345321 1300094836 /nfs/dbraw/zinc/09/48/36/1300094836.db2.gz ZSAXNYPBGDOXOJ-IMJJTQAJSA-N 1 2 331.464 2.138 20 30 EEEDLO C[C@H](CC(=O)N(C)CCNc1cccc(F)c1C#N)n1cc[nH+]c1 ZINC001101975803 1300095863 /nfs/dbraw/zinc/09/58/63/1300095863.db2.gz QZXVDSZLXAEZKF-CYBMUJFWSA-N 1 2 329.379 2.415 20 30 EEEDLO C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(CC)[nH+]c(C)n1 ZINC001102193937 1300541361 /nfs/dbraw/zinc/54/13/61/1300541361.db2.gz AIYNPIDUTMAXGI-CALCHBBNSA-N 1 2 326.444 2.331 20 30 EEEDLO CCCCCCCCS(=O)(=O)N1CCC[C@]2(C1)C[N@H+](C)CCO2 ZINC001276997914 1300740758 /nfs/dbraw/zinc/74/07/58/1300740758.db2.gz XOXYGEWLINHHQY-QGZVFWFLSA-N 1 2 346.537 2.473 20 30 EEEDLO CCCCCCCCS(=O)(=O)N1CCC[C@]2(C1)C[N@@H+](C)CCO2 ZINC001276997914 1300740763 /nfs/dbraw/zinc/74/07/63/1300740763.db2.gz XOXYGEWLINHHQY-QGZVFWFLSA-N 1 2 346.537 2.473 20 30 EEEDLO Cc1cc(N2CC[C@@H](CCNC(=O)[C@@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001102302463 1300777134 /nfs/dbraw/zinc/77/71/34/1300777134.db2.gz VNNFIYMWOSZOLV-GXTWGEPZSA-N 1 2 327.432 2.155 20 30 EEEDLO C=CCOCC(=O)NCC[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102314921 1300800241 /nfs/dbraw/zinc/80/02/41/1300800241.db2.gz FNLSFRKMAOKDTG-OAHLLOKOSA-N 1 2 344.459 2.198 20 30 EEEDLO C#Cc1ccc(C(=O)NCC[C@@H]2CCN(c3cc[nH+]c(C)n3)C2)cc1 ZINC001102378377 1300959057 /nfs/dbraw/zinc/95/90/57/1300959057.db2.gz SBEJECCXJLJNKX-QGZVFWFLSA-N 1 2 334.423 2.413 20 30 EEEDLO C=CCOCC(=O)N1CC[C@H](CN(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001102435203 1301045937 /nfs/dbraw/zinc/04/59/37/1301045937.db2.gz SKLHOAIKHWJQOE-OAHLLOKOSA-N 1 2 344.459 2.150 20 30 EEEDLO C#Cc1cccc(NC(=O)C[NH+]2CCC(NC(=O)/C(C)=C\C)CC2)c1 ZINC001226818248 1301567441 /nfs/dbraw/zinc/56/74/41/1301567441.db2.gz IPKJKZGRYAELDY-TVPGTPATSA-N 1 2 339.439 2.153 20 30 EEEDLO CCN(C(=O)C#CC(C)C)[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102800575 1301650942 /nfs/dbraw/zinc/65/09/42/1301650942.db2.gz LLSYVWGTUAYIES-KRWDZBQOSA-N 1 2 328.460 2.488 20 30 EEEDLO O=C(NO)c1ccccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001227011695 1301651419 /nfs/dbraw/zinc/65/14/19/1301651419.db2.gz LFNBERQSWJIZAK-INIZCTEOSA-N 1 2 342.395 2.085 20 30 EEEDLO O=C(NO)c1ccccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001227011695 1301651429 /nfs/dbraw/zinc/65/14/29/1301651429.db2.gz LFNBERQSWJIZAK-INIZCTEOSA-N 1 2 342.395 2.085 20 30 EEEDLO Cc1ccc(C#N)c(NC(=O)[C@H]2CC23C[NH+](Cc2ccnnc2)C3)c1 ZINC001277211844 1301839934 /nfs/dbraw/zinc/83/99/34/1301839934.db2.gz QVSIYMUUJVYBAS-MRXNPFEDSA-N 1 2 333.395 2.117 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](CC)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001103073247 1302166260 /nfs/dbraw/zinc/16/62/60/1302166260.db2.gz CACJIIMDWRYQSY-KDOFPFPSSA-N 1 2 332.448 2.296 20 30 EEEDLO COc1cc([C@H]2OC[C@@H](C)O2)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001228231391 1302166471 /nfs/dbraw/zinc/16/64/71/1302166471.db2.gz XCJLXCYJZVAMLG-ZMWSXHAUSA-N 1 2 347.411 2.120 20 30 EEEDLO COc1cc([C@H]2OC[C@@H](C)O2)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001228231391 1302166473 /nfs/dbraw/zinc/16/64/73/1302166473.db2.gz XCJLXCYJZVAMLG-ZMWSXHAUSA-N 1 2 347.411 2.120 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC1CC[NH+](Cc2cc(=O)c(OC)co2)CC1 ZINC001228595871 1302328820 /nfs/dbraw/zinc/32/88/20/1302328820.db2.gz AYCNCLCEZIHKOB-UHFFFAOYSA-N 1 2 348.443 2.331 20 30 EEEDLO C=CCOc1cccnc1C(=O)NC[C@H](CC)Nc1cc[nH+]c(C)n1 ZINC001103186750 1302417052 /nfs/dbraw/zinc/41/70/52/1302417052.db2.gz QAPIKHIGUCSQMY-AWEZNQCLSA-N 1 2 341.415 2.365 20 30 EEEDLO CC[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)Nc1ccc(C#N)nc1 ZINC001103326859 1302741419 /nfs/dbraw/zinc/74/14/19/1302741419.db2.gz OYJYRKMLHXPGGQ-KGLIPLIRSA-N 1 2 326.404 2.108 20 30 EEEDLO C=CCCCNC(=S)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1nccn1CC ZINC001277406547 1302900596 /nfs/dbraw/zinc/90/05/96/1302900596.db2.gz MPNHTYITAPUJBJ-HOTGVXAUSA-N 1 2 347.532 2.392 20 30 EEEDLO C=CCCCNC(=S)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1nccn1CC ZINC001277406547 1302900598 /nfs/dbraw/zinc/90/05/98/1302900598.db2.gz MPNHTYITAPUJBJ-HOTGVXAUSA-N 1 2 347.532 2.392 20 30 EEEDLO Cc1nc(OC2COCOC2)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229766512 1302939324 /nfs/dbraw/zinc/93/93/24/1302939324.db2.gz PRFVXLHUHNOGTG-UHFFFAOYSA-N 1 2 336.351 2.328 20 30 EEEDLO Cc1nsc(NCC2(NC(=O)Cc3[nH]cc[nH+]3)CCCC2)c1C#N ZINC001103440130 1302964614 /nfs/dbraw/zinc/96/46/14/1302964614.db2.gz NGYYXBBTUYWBPL-UHFFFAOYSA-N 1 2 344.444 2.130 20 30 EEEDLO Cc1nc(N2CCC(CCNC(=O)[C@H](C)C#N)CC2)c(C)c(C)[nH+]1 ZINC001103677904 1303214836 /nfs/dbraw/zinc/21/48/36/1303214836.db2.gz UBAYYAIJABIMAT-GFCCVEGCSA-N 1 2 329.448 2.284 20 30 EEEDLO C=C(Cl)C[N@H+](CCCNC(=O)c1cncnc1)Cc1cccnc1 ZINC001230741466 1303424905 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COc1ccc(-c2nc(C[N@@H+](C)CCNC(=O)[C@H](C)C#N)co2)cc1 ZINC001492217461 1331092745 /nfs/dbraw/zinc/09/27/45/1331092745.db2.gz QWXKNBLZBOTXPO-CYBMUJFWSA-N 1 2 342.399 2.058 20 30 EEEDLO COc1cc(-c2noc(C[NH2+][C@@H](C)c3cccc(C#N)c3)n2)ncn1 ZINC001308066014 1331561085 /nfs/dbraw/zinc/56/10/85/1331561085.db2.gz KKHBUUVXQCWDNB-NSHDSACASA-N 1 2 336.355 2.258 20 30 EEEDLO C=CC[C@@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC ZINC001320785256 1332952818 /nfs/dbraw/zinc/95/28/18/1332952818.db2.gz BYRXSXDFQHINBO-CQSZACIVSA-N 1 2 326.437 2.483 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001338926656 1336932840 /nfs/dbraw/zinc/93/28/40/1336932840.db2.gz GIQXVYVVHIQUMS-SFHVURJKSA-N 1 2 331.464 2.067 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@H](CC)C1 ZINC001339484959 1337013145 /nfs/dbraw/zinc/01/31/45/1337013145.db2.gz IWLNUMYDOGFYKA-JKSUJKDBSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@H](CC)C1 ZINC001339484959 1337013147 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EEEDLO C=C1CC(C)(C(=O)N(CC)CCNc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001106940704 779288566 /nfs/dbraw/zinc/28/85/66/779288566.db2.gz DNUOAPBXTNYYBR-UHFFFAOYSA-N 1 2 343.475 2.081 20 30 EEEDLO C=C1CC(C)(C(=O)N(CC)CCNc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001106940704 779288570 /nfs/dbraw/zinc/28/85/70/779288570.db2.gz DNUOAPBXTNYYBR-UHFFFAOYSA-N 1 2 343.475 2.081 20 30 EEEDLO CC1(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)CCOCC1 ZINC000982222468 779313789 /nfs/dbraw/zinc/31/37/89/779313789.db2.gz XATKIJVENQEWSP-UHFFFAOYSA-N 1 2 340.467 2.389 20 30 EEEDLO CC1(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)CCOCC1 ZINC000982222468 779313793 /nfs/dbraw/zinc/31/37/93/779313793.db2.gz XATKIJVENQEWSP-UHFFFAOYSA-N 1 2 340.467 2.389 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001028231860 779447820 /nfs/dbraw/zinc/44/78/20/779447820.db2.gz XWYLMMMQTUWHOL-WCQYABFASA-N 1 2 336.867 2.481 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001028231860 779447826 /nfs/dbraw/zinc/44/78/26/779447826.db2.gz XWYLMMMQTUWHOL-WCQYABFASA-N 1 2 336.867 2.481 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC000941074074 779791826 /nfs/dbraw/zinc/79/18/26/779791826.db2.gz KRMDIDRJPSNZBV-INIZCTEOSA-N 1 2 344.459 2.251 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@]2(C)C[N@H+](Cc3ncccn3)C[C@]2(C)C1 ZINC000982427859 780102328 /nfs/dbraw/zinc/10/23/28/780102328.db2.gz CQUIOQGVIJWHFQ-KDURUIRLSA-N 1 2 328.460 2.359 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@]2(C)C[N@@H+](Cc3ncccn3)C[C@]2(C)C1 ZINC000982427859 780102332 /nfs/dbraw/zinc/10/23/32/780102332.db2.gz CQUIOQGVIJWHFQ-KDURUIRLSA-N 1 2 328.460 2.359 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H](C)[C@H]2CCCN(c3cc[nH+]c(C)n3)C2)c1 ZINC001060369932 790771004 /nfs/dbraw/zinc/77/10/04/790771004.db2.gz PZQBHEDEAICSNT-YOEHRIQHSA-N 1 2 349.438 2.196 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2CC[NH+](Cc3cnon3)CC2)cc1 ZINC000997701137 790792050 /nfs/dbraw/zinc/79/20/50/790792050.db2.gz VBSPWVVEROGEBK-AWEZNQCLSA-N 1 2 338.411 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O=C([C@@H]1CCCOC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029237718 781551801 /nfs/dbraw/zinc/55/18/01/781551801.db2.gz DIKFGHZBZDPBOG-AQNXPRMDSA-N 1 2 338.451 2.140 20 30 EEEDLO CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001211868296 781584993 /nfs/dbraw/zinc/58/49/93/781584993.db2.gz IWILXMNLQJRQBY-IAGOWNOFSA-N 1 2 333.407 2.203 20 30 EEEDLO CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001211868296 781584997 /nfs/dbraw/zinc/58/49/97/781584997.db2.gz IWILXMNLQJRQBY-IAGOWNOFSA-N 1 2 333.407 2.203 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)c2cc(C)on2)CC1 ZINC001005075775 783311998 /nfs/dbraw/zinc/31/19/98/783311998.db2.gz DWTTUCLKSGTSOS-UHFFFAOYSA-N 1 2 342.237 2.428 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C4CC4)n(C)n3)[C@@H]2C1 ZINC001075860242 783328567 /nfs/dbraw/zinc/32/85/67/783328567.db2.gz VWCKEXIIJWAVKA-XJKSGUPXSA-N 1 2 334.851 2.196 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C4CC4)n(C)n3)[C@@H]2C1 ZINC001075860242 783328577 /nfs/dbraw/zinc/32/85/77/783328577.db2.gz VWCKEXIIJWAVKA-XJKSGUPXSA-N 1 2 334.851 2.196 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCc2cccs2)C1 ZINC001131894699 783422033 /nfs/dbraw/zinc/42/20/33/783422033.db2.gz BMJNTACAVZHGLH-CABCVRRESA-N 1 2 349.500 2.300 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCc2cccs2)C1 ZINC001131894699 783422039 /nfs/dbraw/zinc/42/20/39/783422039.db2.gz BMJNTACAVZHGLH-CABCVRRESA-N 1 2 349.500 2.300 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C)C1 ZINC000945375876 783986371 /nfs/dbraw/zinc/98/63/71/783986371.db2.gz QMTFDWNGZGGYOU-ZBFHGGJFSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C)C1 ZINC000945375876 783986375 /nfs/dbraw/zinc/98/63/75/783986375.db2.gz QMTFDWNGZGGYOU-ZBFHGGJFSA-N 1 2 344.459 2.052 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2coc3c2cccc3C)C1 ZINC001035397057 784441394 /nfs/dbraw/zinc/44/13/94/784441394.db2.gz VBZVXCQGGWMCEW-HNNXBMFYSA-N 1 2 326.396 2.195 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2coc3c2cccc3C)C1 ZINC001035397057 784441400 /nfs/dbraw/zinc/44/14/00/784441400.db2.gz VBZVXCQGGWMCEW-HNNXBMFYSA-N 1 2 326.396 2.195 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cccc3ccc(C)nc32)C1 ZINC001035408068 784480119 /nfs/dbraw/zinc/48/01/19/784480119.db2.gz FQYOITFLMMQFFD-MRXNPFEDSA-N 1 2 325.412 2.160 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cccc3ccc(C)nc32)C1 ZINC001035408068 784480124 /nfs/dbraw/zinc/48/01/24/784480124.db2.gz FQYOITFLMMQFFD-MRXNPFEDSA-N 1 2 325.412 2.160 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(F)c(C)c2)[C@@H](O)C1 ZINC001090525033 784496654 /nfs/dbraw/zinc/49/66/54/784496654.db2.gz JQBISLKSTNLRLU-GJZGRUSLSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)c(C)c2)[C@@H](O)C1 ZINC001090525033 784496657 /nfs/dbraw/zinc/49/66/57/784496657.db2.gz JQBISLKSTNLRLU-GJZGRUSLSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001035528821 784680345 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C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2csc(C(F)(F)F)n2)C1 ZINC001035564429 784742267 /nfs/dbraw/zinc/74/22/67/784742267.db2.gz QVCKVKLJAYPKLD-JTQLQIEISA-N 1 2 349.378 2.169 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2csc(C(F)(F)F)n2)C1 ZINC001035564429 784742274 /nfs/dbraw/zinc/74/22/74/784742274.db2.gz QVCKVKLJAYPKLD-JTQLQIEISA-N 1 2 349.378 2.169 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(Cl)c2Cl)C1 ZINC001035583328 784786320 /nfs/dbraw/zinc/78/63/20/784786320.db2.gz HYZOCIAZNUNNPH-LBPRGKRZSA-N 1 2 341.238 2.447 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cccc(Cl)c2Cl)C1 ZINC001035583328 784786328 /nfs/dbraw/zinc/78/63/28/784786328.db2.gz HYZOCIAZNUNNPH-LBPRGKRZSA-N 1 2 341.238 2.447 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@@H](C)SC)CC2)C1 ZINC001105703065 785595390 /nfs/dbraw/zinc/59/53/90/785595390.db2.gz MSFHTOLOWGFRRC-CQSZACIVSA-N 1 2 326.506 2.396 20 30 EEEDLO C#C[C@H](CCC)NC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000820639438 785999159 /nfs/dbraw/zinc/99/91/59/785999159.db2.gz BGVSWEQPRFPIST-QGZVFWFLSA-N 1 2 329.444 2.324 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@H]3C=CCCC3)nn2)C1 ZINC001107182123 786242159 /nfs/dbraw/zinc/24/21/59/786242159.db2.gz PAIVXVGEEGHSMW-HNNXBMFYSA-N 1 2 329.448 2.074 20 30 EEEDLO Cc1nc(N(C)[C@H]2CCCN(C(=O)CSCC#N)C2)c(C)c(C)[nH+]1 ZINC001098672549 786438040 /nfs/dbraw/zinc/43/80/40/786438040.db2.gz JFUVNCNWGSVZQT-HNNXBMFYSA-N 1 2 347.488 2.086 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)c3ccccc3)nn2)C1 ZINC001107229303 786562371 /nfs/dbraw/zinc/56/23/71/786562371.db2.gz GUKGDQQSGGJONI-HNNXBMFYSA-N 1 2 339.443 2.131 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@@H](CC)C(C)(C)C)nn2)C1 ZINC001107229762 786563579 /nfs/dbraw/zinc/56/35/79/786563579.db2.gz QSUXROLMEFZYOD-CQSZACIVSA-N 1 2 333.480 2.399 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)CCC(C)(C)C)nn2)C1 ZINC001107229922 786564742 /nfs/dbraw/zinc/56/47/42/786564742.db2.gz WNWOYRZKKQGGTG-AWEZNQCLSA-N 1 2 333.480 2.399 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N(C)CCCNc1[nH+]cnc2c1cnn2C ZINC001109586893 805719815 /nfs/dbraw/zinc/71/98/15/805719815.db2.gz OBUROTJUAVFNTN-OLZOCXBDSA-N 1 2 330.436 2.082 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)s3)C[C@H]2O)CC1 ZINC001090545956 786813308 /nfs/dbraw/zinc/81/33/08/786813308.db2.gz KUAHOEYTCOPVEI-JKSUJKDBSA-N 1 2 349.500 2.249 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)s3)C[C@H]2O)CC1 ZINC001090545956 786813318 /nfs/dbraw/zinc/81/33/18/786813318.db2.gz KUAHOEYTCOPVEI-JKSUJKDBSA-N 1 2 349.500 2.249 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(F)ccc(C)c2F)[C@H](O)C1 ZINC001090548956 786833869 /nfs/dbraw/zinc/83/38/69/786833869.db2.gz FOBKNWAUHREHDT-QWHCGFSZSA-N 1 2 344.789 2.191 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(F)ccc(C)c2F)[C@H](O)C1 ZINC001090548956 786833878 /nfs/dbraw/zinc/83/38/78/786833878.db2.gz FOBKNWAUHREHDT-QWHCGFSZSA-N 1 2 344.789 2.191 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC/C=C\CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001107345868 786975384 /nfs/dbraw/zinc/97/53/84/786975384.db2.gz JLZKERXSRQLRPV-ZPIQOJFGSA-N 1 2 330.432 2.031 20 30 EEEDLO COC(=O)c1ccc(C(=[NH2+])Nc2ccc(CC#N)c([N+](=O)[O-])c2)cc1 ZINC001170984744 787129384 /nfs/dbraw/zinc/12/93/84/787129384.db2.gz YXNIGVDOODDMKA-UHFFFAOYSA-N 1 2 338.323 2.484 20 30 EEEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cc(C(=O)OC)cnc2C)cc1 ZINC001170989051 787243157 /nfs/dbraw/zinc/24/31/57/787243157.db2.gz JGFZUIXLHDKUMO-UHFFFAOYSA-N 1 2 327.340 2.000 20 30 EEEDLO Cc1cc(N(C)C[C@H]2CCN(C(=O)[C@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001062095946 787377040 /nfs/dbraw/zinc/37/70/40/787377040.db2.gz DMQVTYCRSXKHAZ-UKRRQHHQSA-N 1 2 329.448 2.353 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C(C)C ZINC001109627108 805788635 /nfs/dbraw/zinc/78/86/35/805788635.db2.gz AAFUIEFHABEHAY-MHORFTMASA-N 1 2 347.503 2.062 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C(C)C ZINC001109627108 805788644 /nfs/dbraw/zinc/78/86/44/805788644.db2.gz AAFUIEFHABEHAY-MHORFTMASA-N 1 2 347.503 2.062 20 30 EEEDLO Cc1nc(NCCCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)ccc1C#N ZINC001109637040 805812867 /nfs/dbraw/zinc/81/28/67/805812867.db2.gz DLRJHDFXJVBKOX-AWEZNQCLSA-N 1 2 340.431 2.370 20 30 EEEDLO Cc1nc(NCCCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)ccc1C#N ZINC001109637041 805812908 /nfs/dbraw/zinc/81/29/08/805812908.db2.gz DLRJHDFXJVBKOX-CQSZACIVSA-N 1 2 340.431 2.370 20 30 EEEDLO Cc1nc(NCCCN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)ccc1C#N ZINC001109644049 805817045 /nfs/dbraw/zinc/81/70/45/805817045.db2.gz OPBIABJCNUBZPN-ZDUSSCGKSA-N 1 2 340.431 2.124 20 30 EEEDLO Cc1nc(NCCCN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)ccc1C#N ZINC001109644049 805817055 /nfs/dbraw/zinc/81/70/55/805817055.db2.gz OPBIABJCNUBZPN-ZDUSSCGKSA-N 1 2 340.431 2.124 20 30 EEEDLO Cc1nc(N2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)c2c([nH+]1)CCCC2 ZINC001090704082 787883198 /nfs/dbraw/zinc/88/31/98/787883198.db2.gz NAENOHNAHRNCGK-RDTXWAMCSA-N 1 2 340.471 2.264 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)c(CC)o2)[C@@H](O)C1 ZINC001090722394 787911858 /nfs/dbraw/zinc/91/18/58/787911858.db2.gz LAMFGYQEGMFKAX-OLZOCXBDSA-N 1 2 326.824 2.068 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)c(CC)o2)[C@@H](O)C1 ZINC001090722394 787911865 /nfs/dbraw/zinc/91/18/65/787911865.db2.gz LAMFGYQEGMFKAX-OLZOCXBDSA-N 1 2 326.824 2.068 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(CC)c(CC)o2)[C@@H](O)C1 ZINC001090731411 787947966 /nfs/dbraw/zinc/94/79/66/787947966.db2.gz RQYMOQRLKMCKKD-KBPBESRZSA-N 1 2 340.851 2.322 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(CC)c(CC)o2)[C@@H](O)C1 ZINC001090731411 787947973 /nfs/dbraw/zinc/94/79/73/787947973.db2.gz RQYMOQRLKMCKKD-KBPBESRZSA-N 1 2 340.851 2.322 20 30 EEEDLO CS[C@@H](C)C(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107763233 788278898 /nfs/dbraw/zinc/27/88/98/788278898.db2.gz CNSNUMXCGDXYGY-KSSFIOAISA-N 1 2 347.484 2.017 20 30 EEEDLO CS[C@@H](C)C(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107763233 788278905 /nfs/dbraw/zinc/27/89/05/788278905.db2.gz CNSNUMXCGDXYGY-KSSFIOAISA-N 1 2 347.484 2.017 20 30 EEEDLO CS[C@H](C)C(=O)NC[C@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107763234 788279021 /nfs/dbraw/zinc/27/90/21/788279021.db2.gz CNSNUMXCGDXYGY-RDTXWAMCSA-N 1 2 347.484 2.017 20 30 EEEDLO CS[C@H](C)C(=O)NC[C@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107763234 788279026 /nfs/dbraw/zinc/27/90/26/788279026.db2.gz CNSNUMXCGDXYGY-RDTXWAMCSA-N 1 2 347.484 2.017 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(F)cn2)c1 ZINC001032367662 788455992 /nfs/dbraw/zinc/45/59/92/788455992.db2.gz ILEMZEZMLFUQEU-IRXDYDNUSA-N 1 2 336.370 2.191 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(F)cn2)c1 ZINC001032367662 788455993 /nfs/dbraw/zinc/45/59/93/788455993.db2.gz ILEMZEZMLFUQEU-IRXDYDNUSA-N 1 2 336.370 2.191 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001077720907 788665688 /nfs/dbraw/zinc/66/56/88/788665688.db2.gz YMVLPVRVFPMTKV-AWEZNQCLSA-N 1 2 347.459 2.246 20 30 EEEDLO NC(=[NH+]OCC(=O)NCc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000029464257 788678674 /nfs/dbraw/zinc/67/86/74/788678674.db2.gz JNXCVEDPILEBQV-UHFFFAOYSA-N 1 2 335.766 2.432 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001060795677 789002540 /nfs/dbraw/zinc/00/25/40/789002540.db2.gz RRJRIGYQOZBPMF-SHTZXODSSA-N 1 2 344.459 2.100 20 30 EEEDLO C=CC[C@@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1CC(=O)OC ZINC001144016978 789156784 /nfs/dbraw/zinc/15/67/84/789156784.db2.gz DHMICCDLSLOOOZ-SJLPKXTDSA-N 1 2 344.455 2.475 20 30 EEEDLO C=CC[C@@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1CC(=O)OC ZINC001144016978 789156791 /nfs/dbraw/zinc/15/67/91/789156791.db2.gz DHMICCDLSLOOOZ-SJLPKXTDSA-N 1 2 344.455 2.475 20 30 EEEDLO Cc1cc(C)c(C(=O)NCC[C@H](C)NC(=O)C#CC2CC2)c(C)[nH+]1 ZINC001077774454 789229082 /nfs/dbraw/zinc/22/90/82/789229082.db2.gz BHWZEAKEHWOKNM-ZDUSSCGKSA-N 1 2 327.428 2.045 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)[C@@]3(C)C=CCC3)CC2)C1 ZINC001105720391 789241811 /nfs/dbraw/zinc/24/18/11/789241811.db2.gz ZZVJGLMSRDVUSH-FQEVSTJZSA-N 1 2 348.487 2.237 20 30 EEEDLO CC#CC[NH+]1CCC(N(C)C(=O)c2n[nH]c(C(F)(F)F)c2C)CC1 ZINC001006085565 789568541 /nfs/dbraw/zinc/56/85/41/789568541.db2.gz XHOJXDSFXXHAIW-UHFFFAOYSA-N 1 2 342.365 2.297 20 30 EEEDLO Cc1cc(C)c(C(=O)NCC[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)c(C)[nH+]1 ZINC001060286837 789625202 /nfs/dbraw/zinc/62/52/02/789625202.db2.gz UAGSFGFEWFXIBQ-CZUORRHYSA-N 1 2 342.443 2.135 20 30 EEEDLO CC(C)n1nccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032422823 789675295 /nfs/dbraw/zinc/67/52/95/789675295.db2.gz NDBPTFGXWUQEKK-ROUUACIJSA-N 1 2 349.438 2.435 20 30 EEEDLO CC(C)n1nccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032422823 789675300 /nfs/dbraw/zinc/67/53/00/789675300.db2.gz NDBPTFGXWUQEKK-ROUUACIJSA-N 1 2 349.438 2.435 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2coc3c2cccc3OC)C1 ZINC001107948714 789716486 /nfs/dbraw/zinc/71/64/86/789716486.db2.gz WLDAUDIQPLCHDC-LJQANCHMSA-N 1 2 344.411 2.448 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2coc3c2cccc3OC)C1 ZINC001107948714 789716490 /nfs/dbraw/zinc/71/64/90/789716490.db2.gz WLDAUDIQPLCHDC-LJQANCHMSA-N 1 2 344.411 2.448 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079041577 789890234 /nfs/dbraw/zinc/89/02/34/789890234.db2.gz OZUJWNFLQOHPCG-WBVHZDCISA-N 1 2 346.475 2.394 20 30 EEEDLO C#CCCCCCC(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000846096039 790048798 /nfs/dbraw/zinc/04/87/98/790048798.db2.gz TZMLOHVHWINVRE-UHFFFAOYSA-N 1 2 327.432 2.229 20 30 EEEDLO C=CCCCC(=O)N(C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001079052047 790160761 /nfs/dbraw/zinc/16/07/61/790160761.db2.gz JJXNYSJMWSFTGY-MRXNPFEDSA-N 1 2 332.448 2.079 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CC[N@@H+](CC=C(Cl)Cl)C[C@H]2O)CCC1 ZINC001099876816 791176276 /nfs/dbraw/zinc/17/62/76/791176276.db2.gz KVDOWQURMAXDIZ-CHWSQXEVSA-N 1 2 345.270 2.050 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CC[N@H+](CC=C(Cl)Cl)C[C@H]2O)CCC1 ZINC001099876816 791176282 /nfs/dbraw/zinc/17/62/82/791176282.db2.gz KVDOWQURMAXDIZ-CHWSQXEVSA-N 1 2 345.270 2.050 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC1(CNC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001063512069 791193410 /nfs/dbraw/zinc/19/34/10/791193410.db2.gz OJBHDTNCCYKRPZ-INIZCTEOSA-N 1 2 346.475 2.421 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc[nH]2)CC2(CCOCC2)C1 ZINC001089924454 791500560 /nfs/dbraw/zinc/50/05/60/791500560.db2.gz QEEROOKTQKCCLY-AWEZNQCLSA-N 1 2 337.851 2.368 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc[nH]2)CC2(CCOCC2)C1 ZINC001089924454 791500568 /nfs/dbraw/zinc/50/05/68/791500568.db2.gz QEEROOKTQKCCLY-AWEZNQCLSA-N 1 2 337.851 2.368 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(C)o2)[C@@H]1C ZINC001088914136 791511902 /nfs/dbraw/zinc/51/19/02/791511902.db2.gz LJOJBOZMWJMUFU-AESZEHBQSA-N 1 2 333.432 2.043 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)o2)[C@@H]1C ZINC001088914136 791511906 /nfs/dbraw/zinc/51/19/06/791511906.db2.gz LJOJBOZMWJMUFU-AESZEHBQSA-N 1 2 333.432 2.043 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(N)=O)Cc1cccc(C#N)c1 ZINC000063300315 791830812 /nfs/dbraw/zinc/83/08/12/791830812.db2.gz XGEZGKALILDMAL-UHFFFAOYSA-N 1 2 348.406 2.284 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(N)=O)Cc1cccc(C#N)c1 ZINC000063300315 791830817 /nfs/dbraw/zinc/83/08/17/791830817.db2.gz XGEZGKALILDMAL-UHFFFAOYSA-N 1 2 348.406 2.284 20 30 EEEDLO Cc1ccc(CNC(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)cc1 ZINC000063457755 791860303 /nfs/dbraw/zinc/86/03/03/791860303.db2.gz GGOXKVRLWLLLKW-UHFFFAOYSA-N 1 2 329.375 2.396 20 30 EEEDLO Cc1ncccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032594731 791867031 /nfs/dbraw/zinc/86/70/31/791867031.db2.gz NRLPJTGBZRPTHJ-ROUUACIJSA-N 1 2 332.407 2.361 20 30 EEEDLO Cc1ncccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032594731 791867037 /nfs/dbraw/zinc/86/70/37/791867037.db2.gz NRLPJTGBZRPTHJ-ROUUACIJSA-N 1 2 332.407 2.361 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000173788428 791907985 /nfs/dbraw/zinc/90/79/85/791907985.db2.gz TWUXEURMTSZXST-UHFFFAOYSA-N 1 2 349.406 2.070 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000173788428 791907987 /nfs/dbraw/zinc/90/79/87/791907987.db2.gz TWUXEURMTSZXST-UHFFFAOYSA-N 1 2 349.406 2.070 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CCC(NC(C)=O)CC2)[C@H]1C ZINC001089077108 792121508 /nfs/dbraw/zinc/12/15/08/792121508.db2.gz NWTCIPUXOQYRHR-KKOFPSKJSA-N 1 2 341.883 2.013 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CCC(NC(C)=O)CC2)[C@H]1C ZINC001089077108 792121512 /nfs/dbraw/zinc/12/15/12/792121512.db2.gz NWTCIPUXOQYRHR-KKOFPSKJSA-N 1 2 341.883 2.013 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC2=CCOCC2)s1 ZINC001032606942 792194204 /nfs/dbraw/zinc/19/42/04/792194204.db2.gz ORJWRXZWGFMQBQ-GJZGRUSLSA-N 1 2 343.452 2.142 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC2=CCOCC2)s1 ZINC001032606942 792194210 /nfs/dbraw/zinc/19/42/10/792194210.db2.gz ORJWRXZWGFMQBQ-GJZGRUSLSA-N 1 2 343.452 2.142 20 30 EEEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2cn(CC)nn2)C3)CCC1 ZINC001148249828 792279098 /nfs/dbraw/zinc/27/90/98/792279098.db2.gz OQIOMQPTWFQJGI-UHFFFAOYSA-N 1 2 343.475 2.079 20 30 EEEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2cn(CC)nn2)C3)CCC1 ZINC001148249828 792279108 /nfs/dbraw/zinc/27/91/08/792279108.db2.gz OQIOMQPTWFQJGI-UHFFFAOYSA-N 1 2 343.475 2.079 20 30 EEEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2nccn2C)C3)CC1 ZINC001148262425 792291207 /nfs/dbraw/zinc/29/12/07/792291207.db2.gz MVJRUZVUANVTMY-UHFFFAOYSA-N 1 2 328.460 2.201 20 30 EEEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2nccn2C)C3)CC1 ZINC001148262425 792291220 /nfs/dbraw/zinc/29/12/20/792291220.db2.gz MVJRUZVUANVTMY-UHFFFAOYSA-N 1 2 328.460 2.201 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001107981813 792353135 /nfs/dbraw/zinc/35/31/35/792353135.db2.gz GTESEAFNJOEZNB-LJQANCHMSA-N 1 2 344.430 2.088 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2(c3ccc(F)cc3)CC2)C1 ZINC001107981813 792353147 /nfs/dbraw/zinc/35/31/47/792353147.db2.gz GTESEAFNJOEZNB-LJQANCHMSA-N 1 2 344.430 2.088 20 30 EEEDLO CN(CCCCCCNc1ccc(C#N)nc1)C(=O)Cn1cc[nH+]c1 ZINC001091740504 792606480 /nfs/dbraw/zinc/60/64/80/792606480.db2.gz SAAGGLMUSILXLH-UHFFFAOYSA-N 1 2 340.431 2.281 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]23CCC[C@H]2[N@H+](Cc2nccn2C)CC3)cc1 ZINC000992100232 792700260 /nfs/dbraw/zinc/70/02/60/792700260.db2.gz QBXLVFPDYLUXCS-WIYYLYMNSA-N 1 2 348.450 2.328 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](Cc2nccn2C)CC3)cc1 ZINC000992100232 792700268 /nfs/dbraw/zinc/70/02/68/792700268.db2.gz QBXLVFPDYLUXCS-WIYYLYMNSA-N 1 2 348.450 2.328 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1csc(CC)n1)C2 ZINC001148899801 792770482 /nfs/dbraw/zinc/77/04/82/792770482.db2.gz FFVGBXNGBUYDBV-CQSZACIVSA-N 1 2 349.500 2.331 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1csc(CC)n1)C2 ZINC001148899801 792770491 /nfs/dbraw/zinc/77/04/91/792770491.db2.gz FFVGBXNGBUYDBV-CQSZACIVSA-N 1 2 349.500 2.331 20 30 EEEDLO C=C1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@H+](Cc2cn(C)nn2)CC3)CC1 ZINC000992150138 792932995 /nfs/dbraw/zinc/93/29/95/792932995.db2.gz HFZXCUZSVPNTCF-PKOBYXMFSA-N 1 2 343.475 2.175 20 30 EEEDLO C=C1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](Cc2cn(C)nn2)CC3)CC1 ZINC000992150138 792933002 /nfs/dbraw/zinc/93/30/02/792933002.db2.gz HFZXCUZSVPNTCF-PKOBYXMFSA-N 1 2 343.475 2.175 20 30 EEEDLO CC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@H]1Nc1cc[nH+]c(C)n1 ZINC001064390900 792945761 /nfs/dbraw/zinc/94/57/61/792945761.db2.gz XKGRZUMVTBYVPY-LSDHHAIUSA-N 1 2 338.415 2.338 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)CCOCCN(C)c1cc[nH+]c(C)n1 ZINC001091894783 793423796 /nfs/dbraw/zinc/42/37/96/793423796.db2.gz LMFUOYUERWFGAC-UHFFFAOYSA-N 1 2 334.464 2.299 20 30 EEEDLO Cc1nc(N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001092123493 793590016 /nfs/dbraw/zinc/59/00/16/793590016.db2.gz LMMFHNKWJXJZGS-XSLAGTTESA-N 1 2 338.455 2.118 20 30 EEEDLO C#CCCCCC(=O)N[C@H](C)C[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001089267495 793854781 /nfs/dbraw/zinc/85/47/81/793854781.db2.gz IKPVHRXBQFYQGJ-ZIAGYGMSSA-N 1 2 346.479 2.135 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1C(C)(C)C)c1nccn12 ZINC001092381173 793875621 /nfs/dbraw/zinc/87/56/21/793875621.db2.gz RCQYRITWTFNYNF-KFWWJZLASA-N 1 2 328.460 2.323 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccsc1C)c1nccn12 ZINC001092399532 793899130 /nfs/dbraw/zinc/89/91/30/793899130.db2.gz CULSHHRUSRTNBN-HNNXBMFYSA-N 1 2 342.468 2.254 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)C1CCCC1)c1nccn12 ZINC001092407484 793955762 /nfs/dbraw/zinc/95/57/62/793955762.db2.gz MBGYDUKCAWQYCH-HOCLYGCPSA-N 1 2 328.460 2.467 20 30 EEEDLO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cnn(C)n2)ccc1OC ZINC000925396029 793957094 /nfs/dbraw/zinc/95/70/94/793957094.db2.gz GNAOLKFOGJNUSO-GXTWGEPZSA-N 1 2 329.404 2.355 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)noc2C(C)C)[C@@H](O)C1 ZINC001090332711 793964919 /nfs/dbraw/zinc/96/49/19/793964919.db2.gz CPEPALAIECLLCF-STQMWFEESA-N 1 2 341.839 2.024 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)noc2C(C)C)[C@@H](O)C1 ZINC001090332711 793964925 /nfs/dbraw/zinc/96/49/25/793964925.db2.gz CPEPALAIECLLCF-STQMWFEESA-N 1 2 341.839 2.024 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ncccc2F)c1 ZINC001032699912 794145391 /nfs/dbraw/zinc/14/53/91/794145391.db2.gz BXSNJXKYNKBEIJ-HOTGVXAUSA-N 1 2 336.370 2.191 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ncccc2F)c1 ZINC001032699912 794145397 /nfs/dbraw/zinc/14/53/97/794145397.db2.gz BXSNJXKYNKBEIJ-HOTGVXAUSA-N 1 2 336.370 2.191 20 30 EEEDLO Cc1cc(N2C[C@@H]3CCC[C@]3(NC(=O)[C@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001093081976 794592208 /nfs/dbraw/zinc/59/22/08/794592208.db2.gz GHSICRWABHYRLR-YFROIQMUSA-N 1 2 339.443 2.297 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNc2cc[nH+]c(C)n2)C1 ZINC001093124236 794656104 /nfs/dbraw/zinc/65/61/04/794656104.db2.gz VLBUVIFMASUPEW-ALKREAHSSA-N 1 2 344.459 2.417 20 30 EEEDLO C=CCC(C)(C)C(=O)N(CC)C1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079788569 795194744 /nfs/dbraw/zinc/19/47/44/795194744.db2.gz KJNOJMITSRMEGL-CQSZACIVSA-N 1 2 346.475 2.250 20 30 EEEDLO C=CCC(C)(C)C(=O)N(CC)C1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079788569 795194748 /nfs/dbraw/zinc/19/47/48/795194748.db2.gz KJNOJMITSRMEGL-CQSZACIVSA-N 1 2 346.475 2.250 20 30 EEEDLO CC#CCCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001077900337 795272873 /nfs/dbraw/zinc/27/28/73/795272873.db2.gz UWLHMJFYUZTPNM-LSDHHAIUSA-N 1 2 344.459 2.034 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cnn(C(C)C)c3C)CC2)C1 ZINC001093590454 795403140 /nfs/dbraw/zinc/40/31/40/795403140.db2.gz LHXHSGVEIMGDSA-UHFFFAOYSA-N 1 2 346.475 2.264 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)Cc3ccccc3C)CC2)C1 ZINC001093596913 795436805 /nfs/dbraw/zinc/43/68/05/795436805.db2.gz QWJGVXRHRHKYNP-UHFFFAOYSA-N 1 2 328.456 2.415 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1oc(C)nc1C ZINC001032752093 795443327 /nfs/dbraw/zinc/44/33/27/795443327.db2.gz AIWWHWZBSGKKEH-OALUTQOASA-N 1 2 349.434 2.301 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1oc(C)nc1C ZINC001032752093 795443332 /nfs/dbraw/zinc/44/33/32/795443332.db2.gz AIWWHWZBSGKKEH-OALUTQOASA-N 1 2 349.434 2.301 20 30 EEEDLO C[C@@H](CCNc1ncc(C#N)cc1F)NC(=O)CCCn1cc[nH+]c1 ZINC001106361647 795452838 /nfs/dbraw/zinc/45/28/38/795452838.db2.gz DFDIIWGPSDIRLC-ZDUSSCGKSA-N 1 2 344.394 2.076 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001080061952 795550870 /nfs/dbraw/zinc/55/08/70/795550870.db2.gz UCTLEVSFDXXUIX-SJKOYZFVSA-N 1 2 349.862 2.125 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001080061952 795550873 /nfs/dbraw/zinc/55/08/73/795550873.db2.gz UCTLEVSFDXXUIX-SJKOYZFVSA-N 1 2 349.862 2.125 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H](C)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106451595 795612090 /nfs/dbraw/zinc/61/20/90/795612090.db2.gz XAZNSWYNIHPZPQ-ZDUSSCGKSA-N 1 2 346.479 2.321 20 30 EEEDLO C=CCC1(C(=O)NCCNc2ncnc3c2C[N@H+](C)CC3)CCCC1 ZINC001093716705 795624233 /nfs/dbraw/zinc/62/42/33/795624233.db2.gz PUJSXWYHIUNERO-UHFFFAOYSA-N 1 2 343.475 2.129 20 30 EEEDLO C=CCC1(C(=O)NCCNc2ncnc3c2C[N@@H+](C)CC3)CCCC1 ZINC001093716705 795624237 /nfs/dbraw/zinc/62/42/37/795624237.db2.gz PUJSXWYHIUNERO-UHFFFAOYSA-N 1 2 343.475 2.129 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3ccccc3nn2)C1 ZINC001080235595 795742175 /nfs/dbraw/zinc/74/21/75/795742175.db2.gz FOPDYLSENWEJTG-BDJLRTHQSA-N 1 2 330.819 2.432 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3ccccc3nn2)C1 ZINC001080235595 795742180 /nfs/dbraw/zinc/74/21/80/795742180.db2.gz FOPDYLSENWEJTG-BDJLRTHQSA-N 1 2 330.819 2.432 20 30 EEEDLO C=CCC1(C(=O)N[C@@H](C)CCNc2nc(N(C)C)nc(C)[nH+]2)CCC1 ZINC001106562301 795838999 /nfs/dbraw/zinc/83/89/99/795838999.db2.gz PEBOEMOULDCZJJ-ZDUSSCGKSA-N 1 2 346.479 2.299 20 30 EEEDLO C[C@H](CNc1ncccc1C#N)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001108033176 796016266 /nfs/dbraw/zinc/01/62/66/796016266.db2.gz JVKMEHGYWNQSPS-CQSZACIVSA-N 1 2 346.394 2.369 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3c(C)cc(F)cc3C)nn2)C1 ZINC001094309653 796077035 /nfs/dbraw/zinc/07/70/35/796077035.db2.gz JITNQZFQRWDLQN-UHFFFAOYSA-N 1 2 343.406 2.007 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@]3(C)C(C)C)nn2)C1 ZINC001094329780 796103073 /nfs/dbraw/zinc/10/30/73/796103073.db2.gz MFYLQPUDIHEYIY-FUHWJXTLSA-N 1 2 331.464 2.009 20 30 EEEDLO C=CCC1(C(=O)NCC[C@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001078232182 796117230 /nfs/dbraw/zinc/11/72/30/796117230.db2.gz XLUQZDHXAGEYGS-CABCVRRESA-N 1 2 346.475 2.346 20 30 EEEDLO C=CCC1(C(=O)NCC[C@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001078232182 796117231 /nfs/dbraw/zinc/11/72/31/796117231.db2.gz XLUQZDHXAGEYGS-CABCVRRESA-N 1 2 346.475 2.346 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)c2c(C)noc2C)C1 ZINC001108034573 796176385 /nfs/dbraw/zinc/17/63/85/796176385.db2.gz ZZEQOFSMLIIMSP-SCLBCKFNSA-N 1 2 335.448 2.178 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H](C)c2c(C)noc2C)C1 ZINC001108034573 796176388 /nfs/dbraw/zinc/17/63/88/796176388.db2.gz ZZEQOFSMLIIMSP-SCLBCKFNSA-N 1 2 335.448 2.178 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cscn2)C1 ZINC001080566602 796197940 /nfs/dbraw/zinc/19/79/40/796197940.db2.gz CDYOPKGLBDDNDU-BXKDBHETSA-N 1 2 344.278 2.031 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cscn2)C1 ZINC001080566602 796197943 /nfs/dbraw/zinc/19/79/43/796197943.db2.gz CDYOPKGLBDDNDU-BXKDBHETSA-N 1 2 344.278 2.031 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001080862183 796441035 /nfs/dbraw/zinc/44/10/35/796441035.db2.gz WISOVHIESNYXQL-YWPYICTPSA-N 1 2 336.867 2.268 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001080862183 796441037 /nfs/dbraw/zinc/44/10/37/796441037.db2.gz WISOVHIESNYXQL-YWPYICTPSA-N 1 2 336.867 2.268 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC001080963155 796522698 /nfs/dbraw/zinc/52/26/98/796522698.db2.gz UPWHXHMDIISSRW-IUODEOHRSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC001080963155 796522700 /nfs/dbraw/zinc/52/27/00/796522700.db2.gz UPWHXHMDIISSRW-IUODEOHRSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CC=C(C)C)C3)C2)CC1 ZINC001094778215 796573286 /nfs/dbraw/zinc/57/32/86/796573286.db2.gz AIVWVFRANPJGIR-QGZVFWFLSA-N 1 2 345.487 2.100 20 30 EEEDLO C#CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1c1ccccc1 ZINC001081119602 796660054 /nfs/dbraw/zinc/66/00/54/796660054.db2.gz DZDNWJIQPGJMIO-MJBXVCDLSA-N 1 2 328.309 2.104 20 30 EEEDLO C#CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1c1ccccc1 ZINC001081119602 796660055 /nfs/dbraw/zinc/66/00/55/796660055.db2.gz DZDNWJIQPGJMIO-MJBXVCDLSA-N 1 2 328.309 2.104 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(C(N)=O)c2)[C@H]1C ZINC000993521641 796778863 /nfs/dbraw/zinc/77/88/63/796778863.db2.gz 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C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ncccc2F)[C@H]1C ZINC000993734964 796995418 /nfs/dbraw/zinc/99/54/18/796995418.db2.gz VPHWKODTOFRVKG-TZMCWYRMSA-N 1 2 325.815 2.485 20 30 EEEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cocc1C ZINC001082025878 797084652 /nfs/dbraw/zinc/08/46/52/797084652.db2.gz IVOVZQKCEVCNFB-RTBURBONSA-N 1 2 338.407 2.069 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cocc1C ZINC001082025878 797084655 /nfs/dbraw/zinc/08/46/55/797084655.db2.gz IVOVZQKCEVCNFB-RTBURBONSA-N 1 2 338.407 2.069 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2ccnnc2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993869937 797130789 /nfs/dbraw/zinc/13/07/89/797130789.db2.gz FFRUDAPKHBPOTN-RDTXWAMCSA-N 1 2 335.411 2.131 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2ccnnc2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993869937 797130791 /nfs/dbraw/zinc/13/07/91/797130791.db2.gz FFRUDAPKHBPOTN-RDTXWAMCSA-N 1 2 335.411 2.131 20 30 EEEDLO N#Cc1cnn2c1[nH]c(=O)cc2Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693101 797153475 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/nfs/dbraw/zinc/53/74/44/803537444.db2.gz UDGMUYCOVUWHNW-IBGZPJMESA-N 1 2 328.456 2.420 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001108422467 803537447 /nfs/dbraw/zinc/53/74/47/803537447.db2.gz UDGMUYCOVUWHNW-IBGZPJMESA-N 1 2 328.456 2.420 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C[C@H](CC)CCCC)CC2=O)C1 ZINC001108558115 804071970 /nfs/dbraw/zinc/07/19/70/804071970.db2.gz AFXLYUZAQXRAKT-HZPDHXFCSA-N 1 2 335.492 2.180 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C(CC)(CC)CC)CC2=O)C1 ZINC001108582872 804201318 /nfs/dbraw/zinc/20/13/18/804201318.db2.gz FOYDCKQZNPGADD-OAHLLOKOSA-N 1 2 335.492 2.180 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](CCCCC)C(C)C)CC2=O)C1 ZINC001108586103 804228420 /nfs/dbraw/zinc/22/84/20/804228420.db2.gz ZUCKUJWBIUVXTF-WMZOPIPTSA-N 1 2 349.519 2.426 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H](CCCC)C(C)C)CC2=O)C1 ZINC001108591743 804263621 /nfs/dbraw/zinc/26/36/21/804263621.db2.gz DDXICPPIJQVOEJ-WBVHZDCISA-N 1 2 335.492 2.036 20 30 EEEDLO Cc1nc(NC[C@H](C)NC(=O)c2cccc3[nH+]ccn32)ccc1C#N ZINC001108602829 804274312 /nfs/dbraw/zinc/27/43/12/804274312.db2.gz BYMJVNVUZLPDQX-LBPRGKRZSA-N 1 2 334.383 2.140 20 30 EEEDLO COC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109058089 804899385 /nfs/dbraw/zinc/89/93/85/804899385.db2.gz ZLTXOOOXHNVRDP-ZSGPHXLJSA-N 1 2 327.428 2.062 20 30 EEEDLO COC[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109058089 804899391 /nfs/dbraw/zinc/89/93/91/804899391.db2.gz ZLTXOOOXHNVRDP-ZSGPHXLJSA-N 1 2 327.428 2.062 20 30 EEEDLO Cc1cc(N(C)C[C@@H](C)NC(=O)c2cccc3[nH+]ccn32)c(C#N)cn1 ZINC001109151787 805025905 /nfs/dbraw/zinc/02/59/05/805025905.db2.gz ODAGRQQJBRCYAE-CQSZACIVSA-N 1 2 348.410 2.164 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[C@H](C)CC)C2 ZINC001109332806 805311338 /nfs/dbraw/zinc/31/13/38/805311338.db2.gz DFQTWCUUAMVQSQ-BDXSIMOUSA-N 1 2 347.503 2.064 20 30 EEEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[C@H](C)CC)C2 ZINC001109332806 805311349 /nfs/dbraw/zinc/31/13/49/805311349.db2.gz DFQTWCUUAMVQSQ-BDXSIMOUSA-N 1 2 347.503 2.064 20 30 EEEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)noc1C(C)C)C2 ZINC001109422909 805439211 /nfs/dbraw/zinc/43/92/11/805439211.db2.gz PFNMIGUHRUKBOQ-PMPSAXMXSA-N 1 2 345.443 2.091 20 30 EEEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)noc1C(C)C)C2 ZINC001109422909 805439215 /nfs/dbraw/zinc/43/92/15/805439215.db2.gz PFNMIGUHRUKBOQ-PMPSAXMXSA-N 1 2 345.443 2.091 20 30 EEEDLO CCc1nc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H](C)C#N)C2)cs1 ZINC001111670811 805557039 /nfs/dbraw/zinc/55/70/39/805557039.db2.gz WHLKTWFDLVBXNF-IGCXYCKISA-N 1 2 332.473 2.336 20 30 EEEDLO CCc1nc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H](C)C#N)C2)cs1 ZINC001111670811 805557044 /nfs/dbraw/zinc/55/70/44/805557044.db2.gz WHLKTWFDLVBXNF-IGCXYCKISA-N 1 2 332.473 2.336 20 30 EEEDLO C=CCOCC(=O)N1CC[NH+](Cc2cccc(OCCC)c2)CC1 ZINC001112708681 807055451 /nfs/dbraw/zinc/05/54/51/807055451.db2.gz SEDCDVGYZBWGTK-UHFFFAOYSA-N 1 2 332.444 2.322 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC1CC(CNc2[nH+]cnc3c2cnn3C)C1 ZINC001112863281 807478353 /nfs/dbraw/zinc/47/83/53/807478353.db2.gz RNJQJDIBWRHBEP-UHFFFAOYSA-N 1 2 342.447 2.272 20 30 EEEDLO CN(C)c1nc(C=[NH+]N[C@H]2CCOC2)c(Cl)n1-c1ccccc1 ZINC000788438200 807513368 /nfs/dbraw/zinc/51/33/68/807513368.db2.gz BFRWYSXEZUNKKP-LBPRGKRZSA-N 1 2 333.823 2.304 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(Cl)ccc2F)CC1 ZINC001113081230 808064868 /nfs/dbraw/zinc/06/48/68/808064868.db2.gz YPIFUURRJXLKJG-UHFFFAOYSA-N 1 2 326.799 2.440 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001086576617 808074746 /nfs/dbraw/zinc/07/47/46/808074746.db2.gz VUCXJTSFCFLHAJ-GOEBONIOSA-N 1 2 330.819 2.360 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001086576617 808074753 /nfs/dbraw/zinc/07/47/53/808074753.db2.gz VUCXJTSFCFLHAJ-GOEBONIOSA-N 1 2 330.819 2.360 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC001113246394 808533005 /nfs/dbraw/zinc/53/30/05/808533005.db2.gz LXHAQDKUPAFUDW-OAHLLOKOSA-N 1 2 329.444 2.032 20 30 EEEDLO C=CCCC1(C(=O)N2CC[NH+](CCc3cnn(CC)c3)CC2)CC1 ZINC001113310560 808701385 /nfs/dbraw/zinc/70/13/85/808701385.db2.gz KNYREDBUOCEACS-UHFFFAOYSA-N 1 2 330.476 2.336 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](C[C@H](O)c2ccc(CC)cc2)CC1 ZINC001113712691 809618213 /nfs/dbraw/zinc/61/82/13/809618213.db2.gz CSHHRPCVRYTDTA-LPHOPBHVSA-N 1 2 346.471 2.018 20 30 EEEDLO C=CCC(CC=C)C(=O)NC[C@H](C)N(C)c1[nH+]cnc2c1cnn2C ZINC001113726591 809668999 /nfs/dbraw/zinc/66/89/99/809668999.db2.gz MIZITVYGWIVELC-ZDUSSCGKSA-N 1 2 342.447 2.073 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H](C)N(C)c2[nH+]cnc3c2cnn3C)CC1 ZINC001113850951 809955781 /nfs/dbraw/zinc/95/57/81/809955781.db2.gz DDWYYNGZJDSJPT-ZDUSSCGKSA-N 1 2 342.447 2.051 20 30 EEEDLO N#Cc1c(=O)n(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc2c1CCCC2 ZINC000793515460 810378473 /nfs/dbraw/zinc/37/84/73/810378473.db2.gz JSNIIMKWNGHRNI-QZTJIDSGSA-N 1 2 327.428 2.200 20 30 EEEDLO N#Cc1c(=O)n(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc2c1CCCC2 ZINC000793515460 810378478 /nfs/dbraw/zinc/37/84/78/810378478.db2.gz JSNIIMKWNGHRNI-QZTJIDSGSA-N 1 2 327.428 2.200 20 30 EEEDLO CCCCCCC[C@@H](C)CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000793792747 810526281 /nfs/dbraw/zinc/52/62/81/810526281.db2.gz QRNMDEAIVOKENU-CVEARBPZSA-N 1 2 348.491 2.427 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001114238103 810657808 /nfs/dbraw/zinc/65/78/08/810657808.db2.gz ZSVBVYPAIAWWIK-QLPKVWCKSA-N 1 2 329.469 2.226 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(C4CC4)n3)C[C@H]21 ZINC001114238103 810657811 /nfs/dbraw/zinc/65/78/11/810657811.db2.gz ZSVBVYPAIAWWIK-QLPKVWCKSA-N 1 2 329.469 2.226 20 30 EEEDLO CCCC[C@@H](CNc1snc(C)c1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001114264429 810710398 /nfs/dbraw/zinc/71/03/98/810710398.db2.gz RZLYFTKESXMSAV-ZDUSSCGKSA-N 1 2 346.460 2.307 20 30 EEEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3cnccc3C#N)CC2)cc1 ZINC000805186062 811175998 /nfs/dbraw/zinc/17/59/98/811175998.db2.gz XVFDJHNCPGEATO-UHFFFAOYSA-N 1 2 349.438 2.418 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](c2nnc(C)[nH]2)C2(C[NH+](C/C=C\Cl)C2)C1 ZINC001130460832 811701297 /nfs/dbraw/zinc/70/12/97/811701297.db2.gz ACDUBIAVHOIGBC-VSKVDJIOSA-N 1 2 349.866 2.060 20 30 EEEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)Cc2ccc(C#N)cc2)c1C ZINC000808287295 812561417 /nfs/dbraw/zinc/56/14/17/812561417.db2.gz LESUMKGLCYQHPY-UHFFFAOYSA-N 1 2 345.424 2.198 20 30 EEEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)CC(C)(C)C)CC1 ZINC001131385604 812746229 /nfs/dbraw/zinc/74/62/29/812746229.db2.gz HENBSCARVQUMAN-MRXNPFEDSA-N 1 2 337.508 2.285 20 30 EEEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)CC(C)(C)C)CC1 ZINC001131385604 812746236 /nfs/dbraw/zinc/74/62/36/812746236.db2.gz HENBSCARVQUMAN-MRXNPFEDSA-N 1 2 337.508 2.285 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@]2(CC[N@@H+](Cc3ccn(CC)n3)C2)C1 ZINC001131645599 813070270 /nfs/dbraw/zinc/07/02/70/813070270.db2.gz HRPYPLYMRIFDPB-APWZRJJASA-N 1 2 346.475 2.061 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@]2(CC[N@H+](Cc3ccn(CC)n3)C2)C1 ZINC001131645599 813070278 /nfs/dbraw/zinc/07/02/78/813070278.db2.gz HRPYPLYMRIFDPB-APWZRJJASA-N 1 2 346.475 2.061 20 30 EEEDLO C#CCCCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@H+](Cc3nccs3)C2)C1 ZINC001131657328 813108064 /nfs/dbraw/zinc/10/80/64/813108064.db2.gz IMSAEKMQRKDONR-CRAIPNDOSA-N 1 2 347.484 2.138 20 30 EEEDLO C#CCCCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@@H+](Cc3nccs3)C2)C1 ZINC001131657328 813108066 /nfs/dbraw/zinc/10/80/66/813108066.db2.gz IMSAEKMQRKDONR-CRAIPNDOSA-N 1 2 347.484 2.138 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)COC)C[C@H](C)O2 ZINC001131673571 813125422 /nfs/dbraw/zinc/12/54/22/813125422.db2.gz OZMDTSOLQIRDHC-YOEHRIQHSA-N 1 2 344.883 2.103 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)COC)C[C@H](C)O2 ZINC001131673571 813125424 /nfs/dbraw/zinc/12/54/24/813125424.db2.gz OZMDTSOLQIRDHC-YOEHRIQHSA-N 1 2 344.883 2.103 20 30 EEEDLO C=CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)C(=O)[O-] ZINC001588745569 984053506 /nfs/dbraw/zinc/05/35/06/984053506.db2.gz KSGNCFASFFZRHR-GOSISDBHSA-N 1 2 345.443 2.228 20 30 EEEDLO C[C@H](CC(=O)NCC[N@H+](C)Cc1ccccc1C#N)c1cnn(C)c1 ZINC001437498799 1089879385 /nfs/dbraw/zinc/87/93/85/1089879385.db2.gz KLHYNPINKCJVJS-OAHLLOKOSA-N 1 2 339.443 2.034 20 30 EEEDLO C[C@H](CC(=O)NCC[N@@H+](C)Cc1ccccc1C#N)c1cnn(C)c1 ZINC001437498799 1089879405 /nfs/dbraw/zinc/87/94/05/1089879405.db2.gz KLHYNPINKCJVJS-OAHLLOKOSA-N 1 2 339.443 2.034 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccco1 ZINC001446093549 1092120166 /nfs/dbraw/zinc/12/01/66/1092120166.db2.gz MFHHKFRWCFDDTQ-MRXNPFEDSA-N 1 2 339.395 2.093 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)Cc1ccco1 ZINC001446093549 1092120171 /nfs/dbraw/zinc/12/01/71/1092120171.db2.gz MFHHKFRWCFDDTQ-MRXNPFEDSA-N 1 2 339.395 2.093 20 30 EEEDLO C[C@@]1(CNC(=O)c2cc(C#N)c[nH]2)CCC[N@H+](Cc2cscn2)C1 ZINC001439933420 1093020816 /nfs/dbraw/zinc/02/08/16/1093020816.db2.gz KUKOYJWOIYKYPB-KRWDZBQOSA-N 1 2 343.456 2.375 20 30 EEEDLO C[C@@]1(CNC(=O)c2cc(C#N)c[nH]2)CCC[N@@H+](Cc2cscn2)C1 ZINC001439933420 1093020819 /nfs/dbraw/zinc/02/08/19/1093020819.db2.gz KUKOYJWOIYKYPB-KRWDZBQOSA-N 1 2 343.456 2.375 20 30 EEEDLO C[N@H+](CCNC(=O)c1cc(Cl)no1)Cc1cc(C#N)ccc1F ZINC001442584563 1096951485 /nfs/dbraw/zinc/95/14/85/1096951485.db2.gz SZPBACBRIKORBQ-UHFFFAOYSA-N 1 2 336.754 2.201 20 30 EEEDLO C[N@@H+](CCNC(=O)c1cc(Cl)no1)Cc1cc(C#N)ccc1F ZINC001442584563 1096951490 /nfs/dbraw/zinc/95/14/90/1096951490.db2.gz SZPBACBRIKORBQ-UHFFFAOYSA-N 1 2 336.754 2.201 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCCc2nc(C3CC3)no2)C1 ZINC001443625332 1098121010 /nfs/dbraw/zinc/12/10/10/1098121010.db2.gz XHTQIIOTKOYDGC-UHFFFAOYSA-N 1 2 338.839 2.070 20 30 EEEDLO CCc1nnc([C@H](C)[NH2+]Cc2ccc(CNC(=O)[C@H](C)C#N)cc2)o1 ZINC001444198213 1098753444 /nfs/dbraw/zinc/75/34/44/1098753444.db2.gz GNLXCIYALMDBGZ-OLZOCXBDSA-N 1 2 341.415 2.259 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cnc3n[nH]nc3c2)C1 ZINC001493957480 1103194055 /nfs/dbraw/zinc/19/40/55/1103194055.db2.gz UJUPKSOHDPEHHE-CYBMUJFWSA-N 1 2 348.838 2.032 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cnc3n[nH]nc3c2)C1 ZINC001493957480 1103194068 /nfs/dbraw/zinc/19/40/68/1103194068.db2.gz UJUPKSOHDPEHHE-CYBMUJFWSA-N 1 2 348.838 2.032 20 30 EEEDLO CSC[C@H](C)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001494538901 1104130037 /nfs/dbraw/zinc/13/00/37/1104130037.db2.gz PYPQYFBVSJVKGR-LBPRGKRZSA-N 1 2 335.448 2.244 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](C(=O)OCC)C1 ZINC001520304771 1119144715 /nfs/dbraw/zinc/14/47/15/1119144715.db2.gz BEXIFAQCFYDBKW-GJZGRUSLSA-N 1 2 347.463 2.010 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](C(=O)OCC)C1 ZINC001520304771 1119144716 /nfs/dbraw/zinc/14/47/16/1119144716.db2.gz BEXIFAQCFYDBKW-GJZGRUSLSA-N 1 2 347.463 2.010 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H](CO)[C@@H]1C ZINC001520331164 1119146870 /nfs/dbraw/zinc/14/68/70/1119146870.db2.gz MOEAGAGFMSIPCB-HOTGVXAUSA-N 1 2 333.480 2.047 20 30 EEEDLO COc1cccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001524028407 1119963080 /nfs/dbraw/zinc/96/30/80/1119963080.db2.gz BQIKEIINZUJBOH-CVEARBPZSA-N 1 2 329.400 2.215 20 30 EEEDLO COc1cccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001524028407 1119963084 /nfs/dbraw/zinc/96/30/84/1119963084.db2.gz BQIKEIINZUJBOH-CVEARBPZSA-N 1 2 329.400 2.215 20 30 EEEDLO N#Cc1nnn(Cc2ccccc2)c1NC(=O)c1cccc2[nH+]ccn21 ZINC001531527219 1122440102 /nfs/dbraw/zinc/44/01/02/1122440102.db2.gz NZYFJFSHFPUQEZ-UHFFFAOYSA-N 1 2 343.350 2.098 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1[C@@H](/N=C\c2ccccc2O)CCC(=O)N1C1CC1 ZINC001548917873 1124594772 /nfs/dbraw/zinc/59/47/72/1124594772.db2.gz YZTLPGCLRNRJOI-RKWFDUNTSA-N 1 2 338.411 2.439 20 30 EEEDLO Cc1cc([C@@H]2CCCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)C2)n[nH]1 ZINC000328663098 539757825 /nfs/dbraw/zinc/75/78/25/539757825.db2.gz AYIKIDLSNSYPHL-KGLIPLIRSA-N 1 2 328.420 2.023 20 30 EEEDLO Cc1cc([C@@H]2CCCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)C2)[nH]n1 ZINC000328663098 539757830 /nfs/dbraw/zinc/75/78/30/539757830.db2.gz AYIKIDLSNSYPHL-KGLIPLIRSA-N 1 2 328.420 2.023 20 30 EEEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CCC2(CCOCC2)CC1 ZINC000328883112 539763104 /nfs/dbraw/zinc/76/31/04/539763104.db2.gz NDBOTUCKCKUKIZ-HNNXBMFYSA-N 1 2 332.448 2.252 20 30 EEEDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1CCc2cccnc21 ZINC000329333344 539771546 /nfs/dbraw/zinc/77/15/46/539771546.db2.gz XAASKPVGJFYBIJ-INIZCTEOSA-N 1 2 338.411 2.500 20 30 EEEDLO Cc1cnc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000181207414 234118412 /nfs/dbraw/zinc/11/84/12/234118412.db2.gz FFVMAAAMMWOPLS-LBPRGKRZSA-N 1 2 335.454 2.448 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CCc4c(F)cccc4C3)C2=O)cc1 ZINC000154843948 283152209 /nfs/dbraw/zinc/15/22/09/283152209.db2.gz VDFWFZORKVWELW-GOSISDBHSA-N 1 2 349.365 2.388 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCc4c(F)cccc4C3)C2=O)cc1 ZINC000154843948 283152208 /nfs/dbraw/zinc/15/22/08/283152208.db2.gz VDFWFZORKVWELW-GOSISDBHSA-N 1 2 349.365 2.388 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC(C)(C)C#N)c1ccc(F)cc1 ZINC000349699388 238192065 /nfs/dbraw/zinc/19/20/65/238192065.db2.gz ALYTWVRJLAGNAE-CQSZACIVSA-N 1 2 329.379 2.498 20 30 EEEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000438841084 242053247 /nfs/dbraw/zinc/05/32/47/242053247.db2.gz ONDSRJUFORGZTK-RDJZCZTQSA-N 1 2 330.432 2.051 20 30 EEEDLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000438841084 242053251 /nfs/dbraw/zinc/05/32/51/242053251.db2.gz ONDSRJUFORGZTK-RDJZCZTQSA-N 1 2 330.432 2.051 20 30 EEEDLO N#Cc1ccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1F ZINC000459127569 245002226 /nfs/dbraw/zinc/00/22/26/245002226.db2.gz SJNCHENNNOBKHV-UHFFFAOYSA-N 1 2 327.363 2.441 20 30 EEEDLO Cc1ncc(C[NH+]2CCN(C(=O)c3ccc(C#N)cc3)CC2)s1 ZINC000110942191 220083177 /nfs/dbraw/zinc/08/31/77/220083177.db2.gz WFRRJZKZZFZXOZ-UHFFFAOYSA-N 1 2 326.425 2.281 20 30 EEEDLO COC(=O)N1CCN(c2ccc(N[C@@H]3CC[C@H](C#N)C3)c[nH+]2)CC1 ZINC000495674423 247216364 /nfs/dbraw/zinc/21/63/64/247216364.db2.gz YSLPBWCUZYZGOA-UONOGXRCSA-N 1 2 329.404 2.074 20 30 EEEDLO CCc1nsc(N2CC[NH+](CCOc3ccccc3C#N)CC2)n1 ZINC000266521086 248343053 /nfs/dbraw/zinc/34/30/53/248343053.db2.gz CFEFTJKGEICJMC-UHFFFAOYSA-N 1 2 343.456 2.173 20 30 EEEDLO C#C[C@@H](C)N(C)C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000491767570 533221773 /nfs/dbraw/zinc/22/17/73/533221773.db2.gz IXZSPJGFHZRJNF-AEFFLSMTSA-N 1 2 329.444 2.031 20 30 EEEDLO Cc1ccccc1N1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115531875 152027114 /nfs/dbraw/zinc/02/71/14/152027114.db2.gz ZZQPBVNHDIDJSP-LJQANCHMSA-N 1 2 334.423 2.215 20 30 EEEDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1CCOc1ccccc1C#N ZINC000354023097 153060604 /nfs/dbraw/zinc/06/06/04/153060604.db2.gz ADLGNBKKIXMFBN-LJQANCHMSA-N 1 2 335.407 2.419 20 30 EEEDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1CCOc1ccccc1C#N ZINC000354023097 153060608 /nfs/dbraw/zinc/06/06/08/153060608.db2.gz ADLGNBKKIXMFBN-LJQANCHMSA-N 1 2 335.407 2.419 20 30 EEEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000374240974 154015679 /nfs/dbraw/zinc/01/56/79/154015679.db2.gz ZDNSVQHYAPODBH-SFHVURJKSA-N 1 2 335.407 2.240 20 30 EEEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000374240974 154015681 /nfs/dbraw/zinc/01/56/81/154015681.db2.gz ZDNSVQHYAPODBH-SFHVURJKSA-N 1 2 335.407 2.240 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000125828625 292301223 /nfs/dbraw/zinc/30/12/23/292301223.db2.gz CAYAUNXPNXVEMJ-WBVHZDCISA-N 1 2 336.457 2.354 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000125828625 292301224 /nfs/dbraw/zinc/30/12/24/292301224.db2.gz CAYAUNXPNXVEMJ-WBVHZDCISA-N 1 2 336.457 2.354 20 30 EEEDLO CCOC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000194870168 160201850 /nfs/dbraw/zinc/20/18/50/160201850.db2.gz GGYSWOMSACXNFD-AWEZNQCLSA-N 1 2 344.415 2.049 20 30 EEEDLO CCOC(=O)N1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000194870168 160201852 /nfs/dbraw/zinc/20/18/52/160201852.db2.gz GGYSWOMSACXNFD-AWEZNQCLSA-N 1 2 344.415 2.049 20 30 EEEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nnc2n1CCCC2 ZINC000344066813 161195469 /nfs/dbraw/zinc/19/54/69/161195469.db2.gz HRMJWPVSFWOBQD-UHFFFAOYSA-N 1 2 325.416 2.135 20 30 EEEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nnc2n1CCCC2 ZINC000344066813 161195470 /nfs/dbraw/zinc/19/54/70/161195470.db2.gz HRMJWPVSFWOBQD-UHFFFAOYSA-N 1 2 325.416 2.135 20 30 EEEDLO Cc1ccc2c(c1)nc(C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)n2C ZINC000345737794 161327434 /nfs/dbraw/zinc/32/74/34/161327434.db2.gz LDXMXIGSWAWCDG-GOSISDBHSA-N 1 2 333.395 2.070 20 30 EEEDLO CCN1CCN(C(=O)c2cc(C#N)ccc2Cl)C[C@H]1c1[nH]cc[nH+]1 ZINC000376006975 167243803 /nfs/dbraw/zinc/24/38/03/167243803.db2.gz GAZLJGYLLCPTMB-HNNXBMFYSA-N 1 2 343.818 2.454 20 30 EEEDLO CCN1CCN(C(=O)Nc2ccc(F)cc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330357555 266148111 /nfs/dbraw/zinc/14/81/11/266148111.db2.gz SXQXZZYKDOGGTF-OAHLLOKOSA-N 1 2 342.378 2.331 20 30 EEEDLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1ccc(C#N)o1 ZINC000432283549 267327248 /nfs/dbraw/zinc/32/72/48/267327248.db2.gz IIJIWGCOUKTYFT-HNNXBMFYSA-N 1 2 342.380 2.284 20 30 EEEDLO Cc1[nH]c(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c[nH+]1 ZINC000526121703 268081824 /nfs/dbraw/zinc/08/18/24/268081824.db2.gz JZEAFAQOSQWYOZ-UHFFFAOYSA-N 1 2 325.372 2.105 20 30 EEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000279250137 268092571 /nfs/dbraw/zinc/09/25/71/268092571.db2.gz ACKXLPKOEBYZJE-QZTJIDSGSA-N 1 2 345.406 2.031 20 30 EEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000528352257 268296007 /nfs/dbraw/zinc/29/60/07/268296007.db2.gz SVHVUEFGVSKZRD-AZUAARDMSA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000528352257 268296010 /nfs/dbraw/zinc/29/60/10/268296010.db2.gz SVHVUEFGVSKZRD-AZUAARDMSA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH+]1CCC(CF)CC1 ZINC000295048859 268316469 /nfs/dbraw/zinc/31/64/69/268316469.db2.gz BFQVIKKDXDDEJB-UHFFFAOYSA-N 1 2 341.390 2.364 20 30 EEEDLO N#Cc1ccc(N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000288584269 275072842 /nfs/dbraw/zinc/07/28/42/275072842.db2.gz XHTTYQDBLKCALH-UHFFFAOYSA-N 1 2 343.818 2.216 20 30 EEEDLO CCN1CCN(c2cc(C#N)ccc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000359991944 279373041 /nfs/dbraw/zinc/37/30/41/279373041.db2.gz IWKYCVYLKMGVLV-HNNXBMFYSA-N 1 2 326.360 2.073 20 30 EEEDLO CC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)C[C@@H](O)C(F)(F)F ZINC000548294028 318371905 /nfs/dbraw/zinc/37/19/05/318371905.db2.gz LSDDEWQYEWHQFL-CYBMUJFWSA-N 1 2 330.306 2.090 20 30 EEEDLO CC[N@H+](Cc1cccc(C(=O)OC)c1C#N)C[C@@H](O)C(F)(F)F ZINC000548294028 318371906 /nfs/dbraw/zinc/37/19/06/318371906.db2.gz LSDDEWQYEWHQFL-CYBMUJFWSA-N 1 2 330.306 2.090 20 30 EEEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ccnc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000563548580 319022459 /nfs/dbraw/zinc/02/24/59/319022459.db2.gz ITHOLTDXHGIBCD-PBHICJAKSA-N 1 2 343.818 2.485 20 30 EEEDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2ccnc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000563548580 319022461 /nfs/dbraw/zinc/02/24/61/319022461.db2.gz ITHOLTDXHGIBCD-PBHICJAKSA-N 1 2 343.818 2.485 20 30 EEEDLO CCc1nnc(NC(=O)[C@H](C)[C@H](C)Nc2cc(C)[nH+]cc2C#N)s1 ZINC000568742933 319514996 /nfs/dbraw/zinc/51/49/96/319514996.db2.gz YHDROXMLIYVDBO-MNOVXSKESA-N 1 2 344.444 2.173 20 30 EEEDLO C[C@@H](CC(=O)N1CCN(c2cccc(F)c2C#N)CC1)n1cc[nH+]c1 ZINC000574695723 320048865 /nfs/dbraw/zinc/04/88/65/320048865.db2.gz XYQBYPNCTQZFAU-AWEZNQCLSA-N 1 2 341.390 2.194 20 30 EEEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)c1 ZINC000576804048 320204886 /nfs/dbraw/zinc/20/48/86/320204886.db2.gz GTJMGSYYZHEOIE-IPMKNSEASA-N 1 2 332.407 2.230 20 30 EEEDLO C[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000328724477 465110120 /nfs/dbraw/zinc/11/01/20/465110120.db2.gz SWBVRFFWRMRYQV-QPSCCSFWSA-N 1 2 337.443 2.025 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000328844322 465145727 /nfs/dbraw/zinc/14/57/27/465145727.db2.gz RAGAJJJSTMGRCB-OLMNPRSZSA-N 1 2 344.459 2.242 20 30 EEEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)NCCCCC#N)cc1 ZINC000351540118 465209527 /nfs/dbraw/zinc/20/95/27/465209527.db2.gz CNQZZKWIWSVSLY-GOSISDBHSA-N 1 2 344.459 2.361 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)c1C ZINC000296707528 465230719 /nfs/dbraw/zinc/23/07/19/465230719.db2.gz MWFHNAKOEQWVQY-HNNXBMFYSA-N 1 2 333.432 2.246 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)c1C ZINC000296707528 465230726 /nfs/dbraw/zinc/23/07/26/465230726.db2.gz MWFHNAKOEQWVQY-HNNXBMFYSA-N 1 2 333.432 2.246 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(F)cc2F)C1=O ZINC000337199748 465240137 /nfs/dbraw/zinc/24/01/37/465240137.db2.gz BFGORDPVKJHQLS-IAQYHMDHSA-N 1 2 337.370 2.011 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(F)cc2F)C1=O ZINC000337199748 465240145 /nfs/dbraw/zinc/24/01/45/465240145.db2.gz BFGORDPVKJHQLS-IAQYHMDHSA-N 1 2 337.370 2.011 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@H](C)C(=O)NCc2ccccc2F)CC1 ZINC000341982998 465281718 /nfs/dbraw/zinc/28/17/18/465281718.db2.gz BGFJXTCLIPNJET-CQSZACIVSA-N 1 2 333.407 2.083 20 30 EEEDLO C=CCNc1ncc(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)s1 ZINC000342030155 465286465 /nfs/dbraw/zinc/28/64/65/465286465.db2.gz URQIOERCQOZIJZ-UHFFFAOYSA-N 1 2 339.424 3.061 20 30 EEEDLO C=CCCN(C)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000355965865 465283589 /nfs/dbraw/zinc/28/35/89/465283589.db2.gz XADSEUGIOLFEOZ-INIZCTEOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCN(C)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000355965865 465283593 /nfs/dbraw/zinc/28/35/93/465283593.db2.gz XADSEUGIOLFEOZ-INIZCTEOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCC1(C(=O)N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)CC1 ZINC000356113610 465293867 /nfs/dbraw/zinc/29/38/67/465293867.db2.gz QOZJIWFGZBLOQN-UHFFFAOYSA-N 1 2 335.492 2.136 20 30 EEEDLO C=CCCC1(C(=O)N2CCC[N@H+](CC(=O)N(CC)CC)CC2)CC1 ZINC000356113610 465293872 /nfs/dbraw/zinc/29/38/72/465293872.db2.gz QOZJIWFGZBLOQN-UHFFFAOYSA-N 1 2 335.492 2.136 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cccc3c2OCCC3=O)C1 ZINC000329317227 465298193 /nfs/dbraw/zinc/29/81/93/465298193.db2.gz DCBDUDWOXHVGQH-LBPRGKRZSA-N 1 2 340.383 2.420 20 30 EEEDLO CC(C)(C)OC(=O)N1CC([N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000496503522 468291031 /nfs/dbraw/zinc/29/10/31/468291031.db2.gz BQENZBJFDMCVPL-HNNXBMFYSA-N 1 2 344.415 2.026 20 30 EEEDLO CC(C)(C)OC(=O)N1CC([N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000496503522 468291034 /nfs/dbraw/zinc/29/10/34/468291034.db2.gz BQENZBJFDMCVPL-HNNXBMFYSA-N 1 2 344.415 2.026 20 30 EEEDLO C#C[C@H](NC(=O)[C@H](c1c[nH+]cn1C)N(C)C)c1ccc(Cl)cc1F ZINC000491094156 468299014 /nfs/dbraw/zinc/29/90/14/468299014.db2.gz HLSLELWFLHVTLK-HOCLYGCPSA-N 1 2 348.809 2.306 20 30 EEEDLO CCOC(=O)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000063512910 462651167 /nfs/dbraw/zinc/65/11/67/462651167.db2.gz FTVVDJHHODHSFO-UHFFFAOYSA-N 1 2 349.456 2.322 20 30 EEEDLO CCOC(=O)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000063512910 462651169 /nfs/dbraw/zinc/65/11/69/462651169.db2.gz FTVVDJHHODHSFO-UHFFFAOYSA-N 1 2 349.456 2.322 20 30 EEEDLO COCC[N@H+](CC(=O)Nc1nc(C)cs1)Cc1ccc(C#N)cc1 ZINC000063753835 462669259 /nfs/dbraw/zinc/66/92/59/462669259.db2.gz FRAWELOFPJNQIZ-UHFFFAOYSA-N 1 2 344.440 2.410 20 30 EEEDLO COCC[N@@H+](CC(=O)Nc1nc(C)cs1)Cc1ccc(C#N)cc1 ZINC000063753835 462669261 /nfs/dbraw/zinc/66/92/61/462669261.db2.gz FRAWELOFPJNQIZ-UHFFFAOYSA-N 1 2 344.440 2.410 20 30 EEEDLO CC[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117777580 462813172 /nfs/dbraw/zinc/81/31/72/462813172.db2.gz QXOOXQHOTOJOIU-KDOFPFPSSA-N 1 2 332.423 2.145 20 30 EEEDLO COC(=O)[C@@]1(C)CC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091072081 462829443 /nfs/dbraw/zinc/82/94/43/462829443.db2.gz YBCOYLGTZDHSGF-IBGZPJMESA-N 1 2 338.411 2.437 20 30 EEEDLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091072081 462829447 /nfs/dbraw/zinc/82/94/47/462829447.db2.gz YBCOYLGTZDHSGF-IBGZPJMESA-N 1 2 338.411 2.437 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(F)cc1F ZINC000119192318 462880994 /nfs/dbraw/zinc/88/09/94/462880994.db2.gz HDAXVKSAAJHCIC-UHFFFAOYSA-N 1 2 338.358 2.045 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2cccc(CC#N)c2)CC1(C)C ZINC000590759278 468330891 /nfs/dbraw/zinc/33/08/91/468330891.db2.gz LAUJRMRDDBNLIE-OAHLLOKOSA-N 1 2 344.440 2.258 20 30 EEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000156483409 463030203 /nfs/dbraw/zinc/03/02/03/463030203.db2.gz ACXWCXQGZWQVSC-GOSISDBHSA-N 1 2 332.411 2.112 20 30 EEEDLO CCCNC(=O)C[NH+]1CCC(Nc2snc(Cl)c2C#N)CC1 ZINC000052036929 463059003 /nfs/dbraw/zinc/05/90/03/463059003.db2.gz DMOZHFQKBCNBTH-UHFFFAOYSA-N 1 2 341.868 2.071 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068271907 463114634 /nfs/dbraw/zinc/11/46/34/463114634.db2.gz IMAGLQCLVNTTAV-CQSZACIVSA-N 1 2 347.440 2.243 20 30 EEEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000121451207 463138933 /nfs/dbraw/zinc/13/89/33/463138933.db2.gz KWMGVULSEBSROI-RDJZCZTQSA-N 1 2 336.457 2.354 20 30 EEEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000121451207 463138935 /nfs/dbraw/zinc/13/89/35/463138935.db2.gz KWMGVULSEBSROI-RDJZCZTQSA-N 1 2 336.457 2.354 20 30 EEEDLO Cc1cccc(OC[C@@H](O)C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000158584380 463241149 /nfs/dbraw/zinc/24/11/49/463241149.db2.gz UZORZSNFAUMJIL-KRWDZBQOSA-N 1 2 338.407 2.370 20 30 EEEDLO CCc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000080162838 463289212 /nfs/dbraw/zinc/28/92/12/463289212.db2.gz GLDNQVISIIILJH-UHFFFAOYSA-N 1 2 330.432 2.329 20 30 EEEDLO CC(C)N(C)C(=O)C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000030271555 463291662 /nfs/dbraw/zinc/29/16/62/463291662.db2.gz YMSTVNASGVNCEV-UHFFFAOYSA-N 1 2 348.472 2.137 20 30 EEEDLO N#Cc1ccccc1OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000030540799 463302840 /nfs/dbraw/zinc/30/28/40/463302840.db2.gz NNNPVXVHBSXHSW-UHFFFAOYSA-N 1 2 341.436 2.343 20 30 EEEDLO C#C[C@@H]1COCCN1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000491339400 468353780 /nfs/dbraw/zinc/35/37/80/468353780.db2.gz PPLWDZDIDWENJI-MRXNPFEDSA-N 1 2 348.406 2.468 20 30 EEEDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc(C#N)c2)c2ccccc2C1 ZINC000103498085 463403525 /nfs/dbraw/zinc/40/35/25/463403525.db2.gz JFGASEDYZKWSMW-UHFFFAOYSA-N 1 2 327.409 2.199 20 30 EEEDLO C[N@H+]1CCN(S(=O)(=O)c2cccc(C#N)c2)c2ccccc2C1 ZINC000103498085 463403531 /nfs/dbraw/zinc/40/35/31/463403531.db2.gz JFGASEDYZKWSMW-UHFFFAOYSA-N 1 2 327.409 2.199 20 30 EEEDLO C#CC[N@@H+](CCCOc1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000104094420 463409757 /nfs/dbraw/zinc/40/97/57/463409757.db2.gz BCKYENFAPOBMDV-KRWDZBQOSA-N 1 2 335.469 2.195 20 30 EEEDLO C#CC[N@H+](CCCOc1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000104094420 463409761 /nfs/dbraw/zinc/40/97/61/463409761.db2.gz BCKYENFAPOBMDV-KRWDZBQOSA-N 1 2 335.469 2.195 20 30 EEEDLO CCCOCc1ccccc1CNC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057874362 463525454 /nfs/dbraw/zinc/52/54/54/463525454.db2.gz GAXVEVJNGAKCKI-UHFFFAOYSA-N 1 2 329.444 2.465 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000106870640 463544584 /nfs/dbraw/zinc/54/45/84/463544584.db2.gz AJUFDZPJLBVGEG-OAHLLOKOSA-N 1 2 344.415 2.096 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000106870640 463544587 /nfs/dbraw/zinc/54/45/87/463544587.db2.gz AJUFDZPJLBVGEG-OAHLLOKOSA-N 1 2 344.415 2.096 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)O[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000177477802 463715205 /nfs/dbraw/zinc/71/52/05/463715205.db2.gz JEVALDSSUGWJDM-CQSZACIVSA-N 1 2 333.432 2.340 20 30 EEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170875194 463730025 /nfs/dbraw/zinc/73/00/25/463730025.db2.gz WYWIQDIKSDZQBF-UHFFFAOYSA-N 1 2 347.463 2.347 20 30 EEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170875194 463730030 /nfs/dbraw/zinc/73/00/30/463730030.db2.gz WYWIQDIKSDZQBF-UHFFFAOYSA-N 1 2 347.463 2.347 20 30 EEEDLO C=CCn1c(N2CCN(c3cc[nH+]c(C)n3)CC2)nnc1C(C)(C)C ZINC000283474115 463897717 /nfs/dbraw/zinc/89/77/17/463897717.db2.gz JZHHUNGOBWQBKK-UHFFFAOYSA-N 1 2 341.463 2.187 20 30 EEEDLO C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)c1ccc(C#N)cc1 ZINC000287615517 463946308 /nfs/dbraw/zinc/94/63/08/463946308.db2.gz PHGDDIRNJAEPAF-RDTXWAMCSA-N 1 2 327.428 2.236 20 30 EEEDLO C[C@@H](NC(=O)[C@H]1COCC[N@H+]1CC1CCC1)c1ccc(C#N)cc1 ZINC000287615517 463946316 /nfs/dbraw/zinc/94/63/16/463946316.db2.gz PHGDDIRNJAEPAF-RDTXWAMCSA-N 1 2 327.428 2.236 20 30 EEEDLO Cc1cc(NC(=O)C2CC[NH+](CC(F)F)CC2)nn1CCC#N ZINC000288622320 464052526 /nfs/dbraw/zinc/05/25/26/464052526.db2.gz VSNCINTYYJHNOD-UHFFFAOYSA-N 1 2 325.363 2.021 20 30 EEEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000195434911 464054198 /nfs/dbraw/zinc/05/41/98/464054198.db2.gz ICOGQWZKTKWYKZ-SJORKVTESA-N 1 2 328.460 2.205 20 30 EEEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000195434911 464054202 /nfs/dbraw/zinc/05/42/02/464054202.db2.gz ICOGQWZKTKWYKZ-SJORKVTESA-N 1 2 328.460 2.205 20 30 EEEDLO NC(=[NH+]OCc1nn(-c2ccc(F)cc2)c2c1CCC2)[C@H]1CCCO1 ZINC000284101824 464086620 /nfs/dbraw/zinc/08/66/20/464086620.db2.gz LGDYFRPSBJLUNU-QGZVFWFLSA-N 1 2 344.390 2.468 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000289884695 464100657 /nfs/dbraw/zinc/10/06/57/464100657.db2.gz SBCPGJWDVVLSMS-OAQYLSRUSA-N 1 2 348.446 2.400 20 30 EEEDLO N#Cc1ccc(C[NH2+]C2CC([N@H+](CC(=O)[O-])CC3CC3)C2)c(F)c1 ZINC000263466698 464110679 /nfs/dbraw/zinc/11/06/79/464110679.db2.gz CTYLVMYKEACMEI-UHFFFAOYSA-N 1 2 331.391 2.115 20 30 EEEDLO N#Cc1ccc(C[NH2+]C2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)c(F)c1 ZINC000263466698 464110684 /nfs/dbraw/zinc/11/06/84/464110684.db2.gz CTYLVMYKEACMEI-UHFFFAOYSA-N 1 2 331.391 2.115 20 30 EEEDLO C=CCN(C)C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000187520766 464137623 /nfs/dbraw/zinc/13/76/23/464137623.db2.gz JTOHHPFNZYYPCI-UHFFFAOYSA-N 1 2 338.411 2.469 20 30 EEEDLO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000263700097 464158925 /nfs/dbraw/zinc/15/89/25/464158925.db2.gz LKVAUYOOXRFJDW-KRWDZBQOSA-N 1 2 340.471 2.327 20 30 EEEDLO C[C@H](NC(=O)[C@H](C)O[NH+]=C(N)[C@H]1CCCO1)c1cc2ccccc2o1 ZINC000284405960 464180636 /nfs/dbraw/zinc/18/06/36/464180636.db2.gz NFYMZTOTKWWPOB-SLEUVZQESA-N 1 2 345.399 2.466 20 30 EEEDLO CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000188574531 464314788 /nfs/dbraw/zinc/31/47/88/464314788.db2.gz XXRFGVGECJOSPV-SFHVURJKSA-N 1 2 327.428 2.160 20 30 EEEDLO CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000188574531 464314794 /nfs/dbraw/zinc/31/47/94/464314794.db2.gz XXRFGVGECJOSPV-SFHVURJKSA-N 1 2 327.428 2.160 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000180582798 464342047 /nfs/dbraw/zinc/34/20/47/464342047.db2.gz UVAIKUKYFOLVKL-RDJZCZTQSA-N 1 2 341.521 2.238 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1O ZINC000188684228 464342672 /nfs/dbraw/zinc/34/26/72/464342672.db2.gz WLAFUFOTYLVGKB-UHFFFAOYSA-N 1 2 339.370 2.361 20 30 EEEDLO CCCOc1ccc(OCCO[NH+]=C(N)C(C)(C)NC(C)=O)cc1 ZINC000264775308 464460537 /nfs/dbraw/zinc/46/05/37/464460537.db2.gz HBRFMYRZNVNSIT-UHFFFAOYSA-N 1 2 337.420 2.058 20 30 EEEDLO NC(COc1cccc(F)c1)=[NH+]OCCOCC(F)(F)C(F)F ZINC000189377707 464488867 /nfs/dbraw/zinc/48/88/67/464488867.db2.gz IBXACUWZIXBUQX-UHFFFAOYSA-N 1 2 342.264 2.410 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000245735929 464511089 /nfs/dbraw/zinc/51/10/89/464511089.db2.gz USYIRLKTRNEEFV-UONOGXRCSA-N 1 2 335.414 2.368 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000245735929 464511096 /nfs/dbraw/zinc/51/10/96/464511096.db2.gz USYIRLKTRNEEFV-UONOGXRCSA-N 1 2 335.414 2.368 20 30 EEEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000175389524 464537196 /nfs/dbraw/zinc/53/71/96/464537196.db2.gz UVHFDKXVYGXNFJ-VUSMEJPJSA-N 1 2 347.484 2.225 20 30 EEEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000175389524 464537200 /nfs/dbraw/zinc/53/72/00/464537200.db2.gz UVHFDKXVYGXNFJ-VUSMEJPJSA-N 1 2 347.484 2.225 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000272270141 464544106 /nfs/dbraw/zinc/54/41/06/464544106.db2.gz RSIJVKVWNJPADS-OAHLLOKOSA-N 1 2 331.464 2.334 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000272270141 464544108 /nfs/dbraw/zinc/54/41/08/464544108.db2.gz RSIJVKVWNJPADS-OAHLLOKOSA-N 1 2 331.464 2.334 20 30 EEEDLO CC(C)CN1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)CC1=O ZINC000190099465 464595922 /nfs/dbraw/zinc/59/59/22/464595922.db2.gz QEKSNTAHGNHWHB-UHFFFAOYSA-N 1 2 328.460 2.337 20 30 EEEDLO CC(C)CN1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CC1=O ZINC000190099465 464595929 /nfs/dbraw/zinc/59/59/29/464595929.db2.gz QEKSNTAHGNHWHB-UHFFFAOYSA-N 1 2 328.460 2.337 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCCN(CC)C(=O)C1 ZINC000190189986 464607252 /nfs/dbraw/zinc/60/72/52/464607252.db2.gz HVDHJSAKMLOMJG-OAHLLOKOSA-N 1 2 349.500 2.205 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCCN(CC)C(=O)C1 ZINC000190189986 464607259 /nfs/dbraw/zinc/60/72/59/464607259.db2.gz HVDHJSAKMLOMJG-OAHLLOKOSA-N 1 2 349.500 2.205 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](CCC)CC(=O)Nc2ccccc2OC)C1=O ZINC000281901035 464627741 /nfs/dbraw/zinc/62/77/41/464627741.db2.gz FQPYXEBVXPXUIG-INIZCTEOSA-N 1 2 345.443 2.133 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](CCC)CC(=O)Nc2ccccc2OC)C1=O ZINC000281901035 464627748 /nfs/dbraw/zinc/62/77/48/464627748.db2.gz FQPYXEBVXPXUIG-INIZCTEOSA-N 1 2 345.443 2.133 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000285620153 464632255 /nfs/dbraw/zinc/63/22/55/464632255.db2.gz CMRQCXGTFOYCNR-QAPCUYQASA-N 1 2 341.455 2.423 20 30 EEEDLO COc1cc(CN2CC[NH+](Cc3cc(C)no3)CC2)ccc1C#N ZINC000282114745 464702979 /nfs/dbraw/zinc/70/29/79/464702979.db2.gz ALROAGNGEUXIQI-UHFFFAOYSA-N 1 2 326.400 2.181 20 30 EEEDLO COc1cc(C[NH+]2CCN(Cc3cc(C)no3)CC2)ccc1C#N ZINC000282114745 464702987 /nfs/dbraw/zinc/70/29/87/464702987.db2.gz ALROAGNGEUXIQI-UHFFFAOYSA-N 1 2 326.400 2.181 20 30 EEEDLO C=CCN(CCOC)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000190781827 464719801 /nfs/dbraw/zinc/71/98/01/464719801.db2.gz GXKIKDCXKPGBPR-UHFFFAOYSA-N 1 2 332.448 2.416 20 30 EEEDLO CCOc1ccc(C[NH+]2CCN(C(=O)NCCCC#N)CC2)cc1 ZINC000273621417 464722732 /nfs/dbraw/zinc/72/27/32/464722732.db2.gz VUKVMDBQTQPFKU-UHFFFAOYSA-N 1 2 330.432 2.216 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000597020883 468418785 /nfs/dbraw/zinc/41/87/85/468418785.db2.gz KGPWCNPNTYLTEZ-PIIMJCKOSA-N 1 2 333.476 2.277 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000275661639 464784285 /nfs/dbraw/zinc/78/42/85/464784285.db2.gz OXVKZISWPBJAQG-OLZOCXBDSA-N 1 2 333.461 2.131 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)Cc2ccc(C#N)cc2)CC1(C)C ZINC000295342393 464795413 /nfs/dbraw/zinc/79/54/13/464795413.db2.gz QXJOJNDYWGWGIU-OAHLLOKOSA-N 1 2 344.440 2.205 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2ccccc2C#N)CC1(C)C ZINC000295344748 464796749 /nfs/dbraw/zinc/79/67/49/464796749.db2.gz QYDDCGBGAIMFJX-AWEZNQCLSA-N 1 2 330.413 2.064 20 30 EEEDLO C[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](CO)O1 ZINC000191526706 464818492 /nfs/dbraw/zinc/81/84/92/464818492.db2.gz WIIGKVDGXCSFPS-MAUKXSAKSA-N 1 2 340.427 2.045 20 30 EEEDLO C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](CO)O1 ZINC000191526706 464818494 /nfs/dbraw/zinc/81/84/94/464818494.db2.gz WIIGKVDGXCSFPS-MAUKXSAKSA-N 1 2 340.427 2.045 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000249406137 464872219 /nfs/dbraw/zinc/87/22/19/464872219.db2.gz WRIHJBODZNTBNA-BEFAXECRSA-N 1 2 347.459 2.152 20 30 EEEDLO COCCCn1nccc1C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000282744903 464929924 /nfs/dbraw/zinc/92/99/24/464929924.db2.gz GGHIDTNXMABRJY-UHFFFAOYSA-N 1 2 342.443 2.440 20 30 EEEDLO COCCCn1nccc1C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000282744903 464929929 /nfs/dbraw/zinc/92/99/29/464929929.db2.gz GGHIDTNXMABRJY-UHFFFAOYSA-N 1 2 342.443 2.440 20 30 EEEDLO COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H](C)O1 ZINC000251854949 464943391 /nfs/dbraw/zinc/94/33/91/464943391.db2.gz NUOOQZNMLBMMSV-RYRKJORJSA-N 1 2 345.443 2.057 20 30 EEEDLO COC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H](C)O1 ZINC000251854949 464943395 /nfs/dbraw/zinc/94/33/95/464943395.db2.gz NUOOQZNMLBMMSV-RYRKJORJSA-N 1 2 345.443 2.057 20 30 EEEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@](O)(C(F)(F)F)C3)o2)cc1 ZINC000177285743 464977947 /nfs/dbraw/zinc/97/79/47/464977947.db2.gz UKUCTHATICYTFK-AWEZNQCLSA-N 1 2 338.289 2.107 20 30 EEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@](O)(C(F)(F)F)C3)o2)cc1 ZINC000177285743 464977958 /nfs/dbraw/zinc/97/79/58/464977958.db2.gz UKUCTHATICYTFK-AWEZNQCLSA-N 1 2 338.289 2.107 20 30 EEEDLO C[C@@]1(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CCOC1 ZINC000329399407 465322026 /nfs/dbraw/zinc/32/20/26/465322026.db2.gz ARFMNNKGTCIMIF-QGZVFWFLSA-N 1 2 330.388 2.414 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2nncn2C)c1 ZINC000358789960 465324085 /nfs/dbraw/zinc/32/40/85/465324085.db2.gz JWDBDPQXTNCFDO-HNNXBMFYSA-N 1 2 340.431 2.029 20 30 EEEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@@H]2CCCCS2)CC1 ZINC000329586799 465378200 /nfs/dbraw/zinc/37/82/00/465378200.db2.gz WYGLVFKCDUAHPX-LBPRGKRZSA-N 1 2 328.482 2.118 20 30 EEEDLO C=C(C)CC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000351863047 465404831 /nfs/dbraw/zinc/40/48/31/465404831.db2.gz VMADWVRIVGVDHH-UHFFFAOYSA-N 1 2 348.390 2.376 20 30 EEEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329753858 465423838 /nfs/dbraw/zinc/42/38/38/465423838.db2.gz KJUNEXWZTVTVQS-ULQDDVLXSA-N 1 2 344.459 2.189 20 30 EEEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1cc2ccccc2o1 ZINC000329804062 465440011 /nfs/dbraw/zinc/44/00/11/465440011.db2.gz LUDFZUKODIGROO-QEORTHHSSA-N 1 2 329.400 2.423 20 30 EEEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1cc2ccccc2o1 ZINC000329804062 465440019 /nfs/dbraw/zinc/44/00/19/465440019.db2.gz LUDFZUKODIGROO-QEORTHHSSA-N 1 2 329.400 2.423 20 30 EEEDLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329858049 465454371 /nfs/dbraw/zinc/45/43/71/465454371.db2.gz ZUHOQKMYMCGQRT-APIJFGDWSA-N 1 2 332.400 2.035 20 30 EEEDLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000329858049 465454378 /nfs/dbraw/zinc/45/43/78/465454378.db2.gz ZUHOQKMYMCGQRT-APIJFGDWSA-N 1 2 332.400 2.035 20 30 EEEDLO N#CC1(F)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000343230475 465492654 /nfs/dbraw/zinc/49/26/54/465492654.db2.gz VDEDBUZNYRXJCL-UHFFFAOYSA-N 1 2 348.378 2.259 20 30 EEEDLO CC(C)C[C@H](C)n1nccc1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000330071286 465522969 /nfs/dbraw/zinc/52/29/69/465522969.db2.gz ISSNXPGNTFUGFP-LSDHHAIUSA-N 1 2 336.484 2.062 20 30 EEEDLO CC(C)C[C@H](C)n1nccc1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000330071286 465522971 /nfs/dbraw/zinc/52/29/71/465522971.db2.gz ISSNXPGNTFUGFP-LSDHHAIUSA-N 1 2 336.484 2.062 20 30 EEEDLO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352458612 465530816 /nfs/dbraw/zinc/53/08/16/465530816.db2.gz MWLGOEXLOWKEDC-ZDUSSCGKSA-N 1 2 347.390 2.436 20 30 EEEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3ccc(C#N)s3)cn2c1 ZINC000356890289 465604355 /nfs/dbraw/zinc/60/43/55/465604355.db2.gz BTPFEKZUSMLNBN-UHFFFAOYSA-N 1 2 332.410 2.054 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](CC)CC(=O)N1CCCCCC1 ZINC000353176595 465696495 /nfs/dbraw/zinc/69/64/95/465696495.db2.gz UOOQDPXDNQOGMP-QGZVFWFLSA-N 1 2 335.492 2.300 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](CC)CC(=O)N1CCCCCC1 ZINC000353176595 465696501 /nfs/dbraw/zinc/69/65/01/465696501.db2.gz UOOQDPXDNQOGMP-QGZVFWFLSA-N 1 2 335.492 2.300 20 30 EEEDLO C/C(=C\C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000299517310 465785274 /nfs/dbraw/zinc/78/52/74/465785274.db2.gz KMNJBSLOIKDDGR-FOCLMDBBSA-N 1 2 345.418 2.303 20 30 EEEDLO Cc1cc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)nn1CCC#N ZINC000348825252 465821833 /nfs/dbraw/zinc/82/18/33/465821833.db2.gz GTHMJGCDYFEVTD-UHFFFAOYSA-N 1 2 334.383 2.602 20 30 EEEDLO CC(=O)N(C)C1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000331278087 466008803 /nfs/dbraw/zinc/00/88/03/466008803.db2.gz SGNZHPWRZXDZPL-UHFFFAOYSA-N 1 2 339.399 2.051 20 30 EEEDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC000301950284 466066741 /nfs/dbraw/zinc/06/67/41/466066741.db2.gz ZLROZKXDPRGRFK-UHFFFAOYSA-N 1 2 343.818 2.332 20 30 EEEDLO N#CC1(NC(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)CCC1 ZINC000346840287 466190264 /nfs/dbraw/zinc/19/02/64/466190264.db2.gz IJBKGRHCGRPMHN-UHFFFAOYSA-N 1 2 332.835 2.024 20 30 EEEDLO Cc1cc(CNC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)cc(C)[nH+]1 ZINC000591554863 468482654 /nfs/dbraw/zinc/48/26/54/468482654.db2.gz GPXNMICOXKIAIZ-CQSZACIVSA-N 1 2 336.395 2.064 20 30 EEEDLO CCCCC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000374504926 466656125 /nfs/dbraw/zinc/65/61/25/466656125.db2.gz LWHGPJLPCKBSSN-MRXNPFEDSA-N 1 2 343.475 2.160 20 30 EEEDLO COc1cc(OC)cc(C(=O)N2CC[NH+]([C@@H](C)CCC#N)CC2)c1 ZINC000411120563 466770572 /nfs/dbraw/zinc/77/05/72/466770572.db2.gz PVWHAUJEPQSQEY-AWEZNQCLSA-N 1 2 331.416 2.154 20 30 EEEDLO N#Cc1ccsc1NC(=O)CN1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365681896 466906937 /nfs/dbraw/zinc/90/69/37/466906937.db2.gz TZVVCFGRGDAOEF-CQSZACIVSA-N 1 2 328.397 2.107 20 30 EEEDLO C=C(C)CS(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000373822584 466931928 /nfs/dbraw/zinc/93/19/28/466931928.db2.gz JSRUDVIKKKQTSQ-OAHLLOKOSA-N 1 2 335.429 2.014 20 30 EEEDLO C=CCn1cc(C[NH2+]Cc2c(C(C)C)nc3sc(C)nn32)nn1 ZINC000424173058 466997358 /nfs/dbraw/zinc/99/73/58/466997358.db2.gz OVPYIFNRQZNSLR-UHFFFAOYSA-N 1 2 331.449 2.290 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000377010085 466997667 /nfs/dbraw/zinc/99/76/67/466997667.db2.gz PNSBJQNEWALWRN-QGZVFWFLSA-N 1 2 337.489 2.406 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000377010085 466997671 /nfs/dbraw/zinc/99/76/71/466997671.db2.gz PNSBJQNEWALWRN-QGZVFWFLSA-N 1 2 337.489 2.406 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429232331 467314232 /nfs/dbraw/zinc/31/42/32/467314232.db2.gz JOOJNMXJIDCUAG-GJZGRUSLSA-N 1 2 344.434 2.287 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429232331 467314235 /nfs/dbraw/zinc/31/42/35/467314235.db2.gz JOOJNMXJIDCUAG-GJZGRUSLSA-N 1 2 344.434 2.287 20 30 EEEDLO CN(C(=O)C(C)(C)C)c1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000414160849 467384889 /nfs/dbraw/zinc/38/48/89/467384889.db2.gz JNNNYOVMGXCTBG-MRXNPFEDSA-N 1 2 347.459 2.281 20 30 EEEDLO CN(C(=O)C(C)(C)C)c1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000414160849 467384893 /nfs/dbraw/zinc/38/48/93/467384893.db2.gz JNNNYOVMGXCTBG-MRXNPFEDSA-N 1 2 347.459 2.281 20 30 EEEDLO N#Cc1cccc(C2(C(=O)N3CC[NH+](Cc4ccncc4)CC3)CC2)c1 ZINC000435041897 467443408 /nfs/dbraw/zinc/44/34/08/467443408.db2.gz RRTFCGPCRMLTME-UHFFFAOYSA-N 1 2 346.434 2.329 20 30 EEEDLO Cc1cccn2cc(CNS(=O)(=O)c3ccc(C#N)s3)[nH+]c12 ZINC000435447865 467470406 /nfs/dbraw/zinc/47/04/06/467470406.db2.gz RPZXKUVKQXQGNY-UHFFFAOYSA-N 1 2 332.410 2.054 20 30 EEEDLO Cc1cc(N2CCN(C(=O)[C@@]3(C#N)C[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000448612659 467596315 /nfs/dbraw/zinc/59/63/15/467596315.db2.gz KMFWYEHJFNHIBE-SCLBCKFNSA-N 1 2 327.432 2.107 20 30 EEEDLO C[C@]1(c2ccccc2)C[C@@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000448836974 467603357 /nfs/dbraw/zinc/60/33/57/467603357.db2.gz QZJLTLWTQWKVOT-UYAOXDASSA-N 1 2 341.455 2.039 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000448978313 467610030 /nfs/dbraw/zinc/61/00/30/467610030.db2.gz BZZQQWQMOGZOLM-UHFFFAOYSA-N 1 2 335.492 2.039 20 30 EEEDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ncc(C#N)cn2)C1 ZINC000496789806 467715557 /nfs/dbraw/zinc/71/55/57/467715557.db2.gz HHPXKTDTEHADQI-ZFWWWQNUSA-N 1 2 345.447 2.473 20 30 EEEDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ncc(C#N)cn2)C1 ZINC000496789806 467715560 /nfs/dbraw/zinc/71/55/60/467715560.db2.gz HHPXKTDTEHADQI-ZFWWWQNUSA-N 1 2 345.447 2.473 20 30 EEEDLO N#CCOc1ccc(/C=C\C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1 ZINC000492852832 467773646 /nfs/dbraw/zinc/77/36/46/467773646.db2.gz ABEYLRGEBVCSGA-WSGSOLELSA-N 1 2 348.406 2.170 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)C1=O ZINC000492968079 467808413 /nfs/dbraw/zinc/80/84/13/467808413.db2.gz HNCKKQYXDGGCOR-ZNMIVQPWSA-N 1 2 337.464 2.103 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)C1=O ZINC000492968079 467808416 /nfs/dbraw/zinc/80/84/16/467808416.db2.gz HNCKKQYXDGGCOR-ZNMIVQPWSA-N 1 2 337.464 2.103 20 30 EEEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OC[C@H]2C[C@@H](O)C2)cc1 ZINC000497072739 467820039 /nfs/dbraw/zinc/82/00/39/467820039.db2.gz OVTGDLXPLKGCGV-OTVXOJSOSA-N 1 2 349.431 2.119 20 30 EEEDLO COCc1ccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1C#N ZINC000529211572 467829154 /nfs/dbraw/zinc/82/91/54/467829154.db2.gz JWLMLEGLTWFEKG-HNNXBMFYSA-N 1 2 325.372 2.038 20 30 EEEDLO C[C@@H](SCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1nc2ccccc2[nH]1 ZINC000514604372 467942976 /nfs/dbraw/zinc/94/29/76/467942976.db2.gz DVLHHJYSRLQDGM-PXAZEXFGSA-N 1 2 345.472 2.317 20 30 EEEDLO C=CCOc1cccc(NC(=O)NCC[N@@H+]2CCO[C@@H](CC)C2)c1 ZINC000488350975 468082430 /nfs/dbraw/zinc/08/24/30/468082430.db2.gz PUAUGPMNPSIELK-INIZCTEOSA-N 1 2 333.432 2.484 20 30 EEEDLO C=CCOc1cccc(NC(=O)NCC[N@H+]2CCO[C@@H](CC)C2)c1 ZINC000488350975 468082433 /nfs/dbraw/zinc/08/24/33/468082433.db2.gz PUAUGPMNPSIELK-INIZCTEOSA-N 1 2 333.432 2.484 20 30 EEEDLO C[C@H](CCC#N)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496255886 468126460 /nfs/dbraw/zinc/12/64/60/468126460.db2.gz RJLHKFLEMWTXOP-CVEARBPZSA-N 1 2 336.480 2.306 20 30 EEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000575427037 468143878 /nfs/dbraw/zinc/14/38/78/468143878.db2.gz HNHHCMYJWLVFAE-UONOGXRCSA-N 1 2 328.416 2.422 20 30 EEEDLO Cc1cccn2cc(CNS(=O)(=O)c3ccc(C#N)c(F)c3)[nH+]c12 ZINC000489672707 468158931 /nfs/dbraw/zinc/15/89/31/468158931.db2.gz MDBVPWKGXAOBLK-UHFFFAOYSA-N 1 2 344.371 2.132 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1nn(C)cc1Cl ZINC000576936849 468175564 /nfs/dbraw/zinc/17/55/64/468175564.db2.gz RULMHWTUIABFHB-AWEZNQCLSA-N 1 2 335.835 2.332 20 30 EEEDLO C[C@H](CC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)n1cc[nH+]c1 ZINC000577114557 468178321 /nfs/dbraw/zinc/17/83/21/468178321.db2.gz KOXDUMFSWCHHEC-SJLPKXTDSA-N 1 2 337.427 2.243 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)Nc2ccnn2-c2cc[nH+]cc2)cc1F ZINC000589976769 468200465 /nfs/dbraw/zinc/20/04/65/468200465.db2.gz XHXZUJJQXBZAFZ-UHFFFAOYSA-N 1 2 343.343 2.079 20 30 EEEDLO C=C(C)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000556714604 468554851 /nfs/dbraw/zinc/55/48/51/468554851.db2.gz WFTQIJGICDJZJR-HNNXBMFYSA-N 1 2 336.505 2.302 20 30 EEEDLO C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c2ccccc2S1 ZINC000592145460 468636675 /nfs/dbraw/zinc/63/66/75/468636675.db2.gz VXJOOWCDRMLGQY-RDTXWAMCSA-N 1 2 345.468 2.254 20 30 EEEDLO C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c2ccccc2S1 ZINC000592145460 468636680 /nfs/dbraw/zinc/63/66/80/468636680.db2.gz VXJOOWCDRMLGQY-RDTXWAMCSA-N 1 2 345.468 2.254 20 30 EEEDLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149830 468639595 /nfs/dbraw/zinc/63/95/95/468639595.db2.gz XLACIVDVULWLJD-LPHOPBHVSA-N 1 2 345.443 2.003 20 30 EEEDLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149830 468639600 /nfs/dbraw/zinc/63/96/00/468639600.db2.gz XLACIVDVULWLJD-LPHOPBHVSA-N 1 2 345.443 2.003 20 30 EEEDLO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000600828633 468666743 /nfs/dbraw/zinc/66/67/43/468666743.db2.gz CIRADQQXXYPGMS-MPGHIAIKSA-N 1 2 346.450 2.311 20 30 EEEDLO N#CCCN(C(=O)c1ccc(-n2cc[nH+]c2)nn1)c1ccc(F)cc1 ZINC000558137526 468667636 /nfs/dbraw/zinc/66/76/36/468667636.db2.gz BOCOBWMDJCGJCX-UHFFFAOYSA-N 1 2 336.330 2.362 20 30 EEEDLO COCc1noc([C@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)n1 ZINC000570809472 468696530 /nfs/dbraw/zinc/69/65/30/468696530.db2.gz CBNXNQPYRFSCNM-ZDUSSCGKSA-N 1 2 327.388 2.229 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000592521921 468719351 /nfs/dbraw/zinc/71/93/51/468719351.db2.gz DVALNIJYDCLGDZ-HNNXBMFYSA-N 1 2 337.217 2.234 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000592521921 468719355 /nfs/dbraw/zinc/71/93/55/468719355.db2.gz DVALNIJYDCLGDZ-HNNXBMFYSA-N 1 2 337.217 2.234 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000592521726 468719625 /nfs/dbraw/zinc/71/96/25/468719625.db2.gz BOJMOQKUZXKIKP-CQSZACIVSA-N 1 2 327.287 2.047 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000592521726 468719627 /nfs/dbraw/zinc/71/96/27/468719627.db2.gz BOJMOQKUZXKIKP-CQSZACIVSA-N 1 2 327.287 2.047 20 30 EEEDLO CC(C)(C)n1nnc(C[NH2+]CCSCc2ccccc2C#N)n1 ZINC000594917799 468721329 /nfs/dbraw/zinc/72/13/29/468721329.db2.gz KLIQUBMYKAFCAX-UHFFFAOYSA-N 1 2 330.461 2.323 20 30 EEEDLO CSc1nc(C2CC2)cc(C(=O)N2CCn3c[nH+]cc3C2)c1C#N ZINC000583729469 468746034 /nfs/dbraw/zinc/74/60/34/468746034.db2.gz SXGOMVDCHFBZMG-UHFFFAOYSA-N 1 2 339.424 2.405 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000571214350 468755740 /nfs/dbraw/zinc/75/57/40/468755740.db2.gz GIQGQUVTVMUXOF-QGZVFWFLSA-N 1 2 346.431 2.447 20 30 EEEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(Br)s1 ZINC000584235578 468826042 /nfs/dbraw/zinc/82/60/42/468826042.db2.gz YXYWQKFAYZUQLJ-GFCCVEGCSA-N 1 2 330.251 2.393 20 30 EEEDLO N#Cc1ccc(-c2ccc(OCC[N@@H+]3CCNC(=O)C3)cc2)s1 ZINC000592989349 468833981 /nfs/dbraw/zinc/83/39/81/468833981.db2.gz SJNKEZOCJJYKIR-UHFFFAOYSA-N 1 2 327.409 2.097 20 30 EEEDLO N#Cc1ccc(-c2ccc(OCC[N@H+]3CCNC(=O)C3)cc2)s1 ZINC000592989349 468833988 /nfs/dbraw/zinc/83/39/88/468833988.db2.gz SJNKEZOCJJYKIR-UHFFFAOYSA-N 1 2 327.409 2.097 20 30 EEEDLO CCN1CC[C@@H]([NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000595470443 468866296 /nfs/dbraw/zinc/86/62/96/468866296.db2.gz VTWNNWOPQFKESE-SJORKVTESA-N 1 2 346.862 2.143 20 30 EEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000595611899 468921315 /nfs/dbraw/zinc/92/13/15/468921315.db2.gz OUANNZZEJQJUDV-AWEZNQCLSA-N 1 2 337.445 2.190 20 30 EEEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000595611899 468921317 /nfs/dbraw/zinc/92/13/17/468921317.db2.gz OUANNZZEJQJUDV-AWEZNQCLSA-N 1 2 337.445 2.190 20 30 EEEDLO C=CC(C)(C)C(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601645777 468949589 /nfs/dbraw/zinc/94/95/89/468949589.db2.gz QZHUCIYGPRRELH-UHFFFAOYSA-N 1 2 334.485 2.079 20 30 EEEDLO Cc1nnc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000595703702 468961972 /nfs/dbraw/zinc/96/19/72/468961972.db2.gz GLQKBUUFARRYOD-UHFFFAOYSA-N 1 2 333.779 2.364 20 30 EEEDLO Cc1nnc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000595703702 468961976 /nfs/dbraw/zinc/96/19/76/468961976.db2.gz GLQKBUUFARRYOD-UHFFFAOYSA-N 1 2 333.779 2.364 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602791685 469077396 /nfs/dbraw/zinc/07/73/96/469077396.db2.gz RRAWYQUSXYNBBU-OAHLLOKOSA-N 1 2 344.434 2.464 20 30 EEEDLO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[NH2+][C@H](C)CC#N)c1 ZINC000602860609 469126323 /nfs/dbraw/zinc/12/63/23/469126323.db2.gz CMJHGFSOGRBZAI-CZUORRHYSA-N 1 2 331.416 2.259 20 30 EEEDLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CCN(CC#N)CC1 ZINC000615117700 469156566 /nfs/dbraw/zinc/15/65/66/469156566.db2.gz GDHXUNUPKRNAGH-MRXNPFEDSA-N 1 2 335.835 2.002 20 30 EEEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H](C)CO1 ZINC000596453758 469270846 /nfs/dbraw/zinc/27/08/46/469270846.db2.gz NDCKXVQYJRWQLN-ZIAGYGMSSA-N 1 2 347.463 2.345 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H](C)CO1 ZINC000596453758 469270850 /nfs/dbraw/zinc/27/08/50/469270850.db2.gz NDCKXVQYJRWQLN-ZIAGYGMSSA-N 1 2 347.463 2.345 20 30 EEEDLO N#Cc1ccccc1N1CC[NH+](Cc2cc3c(cn2)OCCO3)CC1 ZINC000602437004 469316251 /nfs/dbraw/zinc/31/62/51/469316251.db2.gz CKIKUTAYWWZPQZ-UHFFFAOYSA-N 1 2 336.395 2.047 20 30 EEEDLO CCc1ccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000596658248 469324981 /nfs/dbraw/zinc/32/49/81/469324981.db2.gz VGQZJLMLYIJDRV-UHFFFAOYSA-N 1 2 348.450 2.403 20 30 EEEDLO Cc1nc2ccccn2c1[C@@H]1C(=O)NCC[N@H+]1C[C@H](C)CCC#N ZINC000602474784 469331819 /nfs/dbraw/zinc/33/18/19/469331819.db2.gz RQQKTACEMVXESM-CXAGYDPISA-N 1 2 325.416 2.056 20 30 EEEDLO Cc1nc2ccccn2c1[C@@H]1C(=O)NCC[N@@H+]1C[C@H](C)CCC#N ZINC000602474784 469331821 /nfs/dbraw/zinc/33/18/21/469331821.db2.gz RQQKTACEMVXESM-CXAGYDPISA-N 1 2 325.416 2.056 20 30 EEEDLO N#Cc1ccc(N2CCN(c3cc(CO)cc[nH+]3)CC2)c(Cl)c1 ZINC000603359695 469360711 /nfs/dbraw/zinc/36/07/11/469360711.db2.gz SOYBBGNDDGTVNY-UHFFFAOYSA-N 1 2 328.803 2.426 20 30 EEEDLO C[C@@H]1C[N@H+](CCNc2c(C#N)cnn2-c2ccccc2)[C@H](C)CO1 ZINC000603407581 469382901 /nfs/dbraw/zinc/38/29/01/469382901.db2.gz GRZYCWZNXVQADH-HUUCEWRRSA-N 1 2 325.416 2.265 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNc2c(C#N)cnn2-c2ccccc2)[C@H](C)CO1 ZINC000603407581 469382905 /nfs/dbraw/zinc/38/29/05/469382905.db2.gz GRZYCWZNXVQADH-HUUCEWRRSA-N 1 2 325.416 2.265 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000609485315 469932023 /nfs/dbraw/zinc/93/20/23/469932023.db2.gz MZGMXFNEZGNCMY-QRVBRYPASA-N 1 2 346.519 2.333 20 30 EEEDLO N#CCC[C@H](C#N)CN1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609574999 469942139 /nfs/dbraw/zinc/94/21/39/469942139.db2.gz QUUOFZXRVFCWOK-QAPCUYQASA-N 1 2 346.862 2.435 20 30 EEEDLO C=CCn1c(C)cc(C(=O)Cn2cc[nH+]c2CN2CCOCC2)c1C ZINC000641723015 470459022 /nfs/dbraw/zinc/45/90/22/470459022.db2.gz UBSGWBLPRBHQIG-UHFFFAOYSA-N 1 2 342.443 2.203 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccc(C)c(F)c2)nn1 ZINC000640885971 471094241 /nfs/dbraw/zinc/09/42/41/471094241.db2.gz FVGSVHBOEBFHLY-CYBMUJFWSA-N 1 2 329.379 2.038 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2nnc(-c3cccc(Cl)c3)o2)nn1 ZINC000641029470 471168823 /nfs/dbraw/zinc/16/88/23/471168823.db2.gz GHDDPFMEENIBIB-UHFFFAOYSA-N 1 2 342.790 2.143 20 30 EEEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000669234073 471426627 /nfs/dbraw/zinc/42/66/27/471426627.db2.gz LEUQKFOCXBUWAX-FUHWJXTLSA-N 1 2 338.398 2.497 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1nnc(CC(C)C)s1)[C@H](C)COC ZINC000661241581 471685361 /nfs/dbraw/zinc/68/53/61/471685361.db2.gz BROLAFYAWJVGJP-GFCCVEGCSA-N 1 2 326.466 2.198 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1nnc(CC(C)C)s1)[C@H](C)COC ZINC000661241581 471685365 /nfs/dbraw/zinc/68/53/65/471685365.db2.gz BROLAFYAWJVGJP-GFCCVEGCSA-N 1 2 326.466 2.198 20 30 EEEDLO C=C[C@H](CO)[NH2+]Cc1nc(Cc2cccc(Br)c2)no1 ZINC000662165841 472017006 /nfs/dbraw/zinc/01/70/06/472017006.db2.gz RESPRLGJEHQOLW-GFCCVEGCSA-N 1 2 338.205 2.059 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496020394 534660620 /nfs/dbraw/zinc/66/06/20/534660620.db2.gz KPFWPNWOXRANQY-AWEZNQCLSA-N 1 2 325.453 2.010 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496020394 534660624 /nfs/dbraw/zinc/66/06/24/534660624.db2.gz KPFWPNWOXRANQY-AWEZNQCLSA-N 1 2 325.453 2.010 20 30 EEEDLO C=CC[N@H+](Cc1cccc(-n2cccn2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361004 526342566 /nfs/dbraw/zinc/34/25/66/526342566.db2.gz FDYABKARDAJXEX-KRWDZBQOSA-N 1 2 331.441 2.047 20 30 EEEDLO C=CC[N@@H+](Cc1cccc(-n2cccn2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361004 526342570 /nfs/dbraw/zinc/34/25/70/526342570.db2.gz FDYABKARDAJXEX-KRWDZBQOSA-N 1 2 331.441 2.047 20 30 EEEDLO C=C(CNC(=O)C[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000360206957 526865916 /nfs/dbraw/zinc/86/59/16/526865916.db2.gz DGUSLWNEXRPHEQ-UHFFFAOYSA-N 1 2 336.439 2.033 20 30 EEEDLO C=CC1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000111796763 526967154 /nfs/dbraw/zinc/96/71/54/526967154.db2.gz XYDGKUVXUOHHQX-IBGZPJMESA-N 1 2 343.471 2.495 20 30 EEEDLO C=CC1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000111796763 526967158 /nfs/dbraw/zinc/96/71/58/526967158.db2.gz XYDGKUVXUOHHQX-IBGZPJMESA-N 1 2 343.471 2.495 20 30 EEEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCC[NH+]1CCOCC1 ZINC000281013778 536296411 /nfs/dbraw/zinc/29/64/11/536296411.db2.gz RDNSMVWACYBYNX-UHFFFAOYSA-N 1 2 336.317 2.268 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)cn1 ZINC000729922229 576692696 /nfs/dbraw/zinc/69/26/96/576692696.db2.gz GOSYWIAHJSRUOP-UHFFFAOYSA-N 1 2 340.452 2.176 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)cn1 ZINC000729922229 576692699 /nfs/dbraw/zinc/69/26/99/576692699.db2.gz GOSYWIAHJSRUOP-UHFFFAOYSA-N 1 2 340.452 2.176 20 30 EEEDLO C#C[C@@H](NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1)[C@@H]1CCCO1 ZINC000773215872 577323702 /nfs/dbraw/zinc/32/37/02/577323702.db2.gz VJVBCMVLITYKFN-SJORKVTESA-N 1 2 342.443 2.052 20 30 EEEDLO C=CC[N@@H+](CCc1ccco1)CN1C[C@](C)(C(=O)OCC)CC1=O ZINC000774557248 577403875 /nfs/dbraw/zinc/40/38/75/577403875.db2.gz CPTQFGHGHGVVBG-GOSISDBHSA-N 1 2 334.416 2.069 20 30 EEEDLO C=CC[N@H+](CCc1ccco1)CN1C[C@](C)(C(=O)OCC)CC1=O ZINC000774557248 577403876 /nfs/dbraw/zinc/40/38/76/577403876.db2.gz CPTQFGHGHGVVBG-GOSISDBHSA-N 1 2 334.416 2.069 20 30 EEEDLO C#C[C@H]([NH2+]Cc1ccc(OC)c(O)c1Br)[C@@H]1CCCO1 ZINC000775351731 577435786 /nfs/dbraw/zinc/43/57/86/577435786.db2.gz UEBGIEFFGBBSFH-RYUDHWBXSA-N 1 2 340.217 2.434 20 30 EEEDLO Nc1[nH+]cccc1C=NN1C(=S)N=NC1COc1ccc(F)cc1 ZINC000764676650 577486530 /nfs/dbraw/zinc/48/65/30/577486530.db2.gz SNOIFCOSZXCQDG-UHFFFAOYSA-N 1 2 344.375 2.144 20 30 EEEDLO CCC[C@@H](C=NNC(=S)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000769566688 577580633 /nfs/dbraw/zinc/58/06/33/577580633.db2.gz HFYBETQJDIWHFI-KRWDZBQOSA-N 1 2 348.516 2.352 20 30 EEEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc(C#N)cn1 ZINC000759202400 577638930 /nfs/dbraw/zinc/63/89/30/577638930.db2.gz ZORPGPWBRBVHBS-UHFFFAOYSA-N 1 2 340.431 2.334 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1c(F)cccc1OC(F)F ZINC000752429804 577770910 /nfs/dbraw/zinc/77/09/10/577770910.db2.gz HMPJTLBZVYRPDK-ZDUSSCGKSA-N 1 2 326.318 2.141 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1c(F)cccc1OC(F)F ZINC000752429804 577770911 /nfs/dbraw/zinc/77/09/11/577770911.db2.gz HMPJTLBZVYRPDK-ZDUSSCGKSA-N 1 2 326.318 2.141 20 30 EEEDLO CN1CCc2cc(C=[NH+]Nc3nc4ccccc4c(=O)n3C)ccc21 ZINC000752721250 577775036 /nfs/dbraw/zinc/77/50/36/577775036.db2.gz TYQWTLYMPSQXIH-UHFFFAOYSA-N 1 2 333.395 2.372 20 30 EEEDLO Cc1[nH+]cc(C=NNS(=O)(=O)c2ccccc2)n1-c1ccccc1 ZINC000755471561 577825553 /nfs/dbraw/zinc/82/55/53/577825553.db2.gz JFHDVDVDRLJFDW-UHFFFAOYSA-N 1 2 340.408 2.493 20 30 EEEDLO COc1cc(F)cc(N[NH+]=Cc2c(C)nn(C)c2N2CCOCC2)c1 ZINC000755769169 577830736 /nfs/dbraw/zinc/83/07/36/577830736.db2.gz LWPVPWODRSMRKA-UHFFFAOYSA-N 1 2 347.394 2.159 20 30 EEEDLO CC[N@H+](C)[C@H](C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000745097717 577908979 /nfs/dbraw/zinc/90/89/79/577908979.db2.gz JNPFMWCXLVCLBA-HKUYNNGSSA-N 1 2 343.427 2.031 20 30 EEEDLO CC[N@@H+](C)[C@H](C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000745097717 577908980 /nfs/dbraw/zinc/90/89/80/577908980.db2.gz JNPFMWCXLVCLBA-HKUYNNGSSA-N 1 2 343.427 2.031 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826386556 608066917 /nfs/dbraw/zinc/06/69/17/608066917.db2.gz JOUFTINWYRUODE-GOSISDBHSA-N 1 2 346.394 2.312 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826386556 608066918 /nfs/dbraw/zinc/06/69/18/608066918.db2.gz JOUFTINWYRUODE-GOSISDBHSA-N 1 2 346.394 2.312 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c3c(nn2C)CCCC3)C1 ZINC000969757946 675188012 /nfs/dbraw/zinc/18/80/12/675188012.db2.gz UWJJIQJKSAGJQU-LBPRGKRZSA-N 1 2 336.867 2.102 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c(Cl)cnn2CC)C1 ZINC000969745441 675183486 /nfs/dbraw/zinc/18/34/86/675183486.db2.gz UKEADVJDCQEWKO-SNVBAGLBSA-N 1 2 331.247 2.359 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000970980977 676291806 /nfs/dbraw/zinc/29/18/06/676291806.db2.gz IFGGQZNASUWCES-ZDUSSCGKSA-N 1 2 345.834 2.070 20 30 EEEDLO CC(C)n1ccc(C[N@H+](C)[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000971364373 676503633 /nfs/dbraw/zinc/50/36/33/676503633.db2.gz VHTYYFSBHVRUEW-INIZCTEOSA-N 1 2 340.431 2.010 20 30 EEEDLO CC(C)n1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000971364373 676503634 /nfs/dbraw/zinc/50/36/34/676503634.db2.gz VHTYYFSBHVRUEW-INIZCTEOSA-N 1 2 340.431 2.010 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC000971500434 676601003 /nfs/dbraw/zinc/60/10/03/676601003.db2.gz KKZVDRWSGKOCMM-CABCVRRESA-N 1 2 337.345 2.385 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC000971500434 676601004 /nfs/dbraw/zinc/60/10/04/676601004.db2.gz KKZVDRWSGKOCMM-CABCVRRESA-N 1 2 337.345 2.385 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2cc3n(n2)CCC3)C1 ZINC000972073764 678209630 /nfs/dbraw/zinc/20/96/30/678209630.db2.gz VKECICDKCGGVCC-KRWDZBQOSA-N 1 2 330.476 2.464 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc3n(n2)CCC3)C1 ZINC000972073764 678209632 /nfs/dbraw/zinc/20/96/32/678209632.db2.gz VKECICDKCGGVCC-KRWDZBQOSA-N 1 2 330.476 2.464 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC3(c4ccccc4)CC3)C2)C1 ZINC000972404338 678692945 /nfs/dbraw/zinc/69/29/45/678692945.db2.gz CLXSEBDMKCCZRH-OAQYLSRUSA-N 1 2 338.451 2.045 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CC3(c4ccccc4)CC3)C2)C1 ZINC000972404338 678692948 /nfs/dbraw/zinc/69/29/48/678692948.db2.gz CLXSEBDMKCCZRH-OAQYLSRUSA-N 1 2 338.451 2.045 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(F)ccc3CC)C2)C1 ZINC000972449268 678765004 /nfs/dbraw/zinc/76/50/04/678765004.db2.gz JAJXBKAIGGGHCN-FQEVSTJZSA-N 1 2 344.430 2.328 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(F)ccc3CC)C2)C1 ZINC000972449268 678765005 /nfs/dbraw/zinc/76/50/05/678765005.db2.gz JAJXBKAIGGGHCN-FQEVSTJZSA-N 1 2 344.430 2.328 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccc(F)cc3)C2)C1 ZINC000972452352 678769692 /nfs/dbraw/zinc/76/96/92/678769692.db2.gz BIRUYZMPMDVMGR-IBGZPJMESA-N 1 2 332.419 2.248 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccc(F)cc3)C2)C1 ZINC000972452352 678769695 /nfs/dbraw/zinc/76/96/95/678769695.db2.gz BIRUYZMPMDVMGR-IBGZPJMESA-N 1 2 332.419 2.248 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c4ccccc34)C2)C1 ZINC000972456122 678779717 /nfs/dbraw/zinc/77/97/17/678779717.db2.gz RXORCDBHAXCTID-LJQANCHMSA-N 1 2 325.412 2.271 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c4ccccc34)C2)C1 ZINC000972456122 678779721 /nfs/dbraw/zinc/77/97/21/678779721.db2.gz RXORCDBHAXCTID-LJQANCHMSA-N 1 2 325.412 2.271 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccc(C)cc3)C2)C1 ZINC000972458707 678789372 /nfs/dbraw/zinc/78/93/72/678789372.db2.gz MVIGPKBAKQNKGL-NRFANRHFSA-N 1 2 340.467 2.254 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccc(C)cc3)C2)C1 ZINC000972458707 678789376 /nfs/dbraw/zinc/78/93/76/678789376.db2.gz MVIGPKBAKQNKGL-NRFANRHFSA-N 1 2 340.467 2.254 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccnc3C(F)F)C2)C1 ZINC000972460923 678793045 /nfs/dbraw/zinc/79/30/45/678793045.db2.gz MEZJSWBZTYDDLK-QGZVFWFLSA-N 1 2 337.370 2.122 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccnc3C(F)F)C2)C1 ZINC000972460923 678793048 /nfs/dbraw/zinc/79/30/48/678793048.db2.gz MEZJSWBZTYDDLK-QGZVFWFLSA-N 1 2 337.370 2.122 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cccc(Cl)c3)C2)C1 ZINC000972486383 678873687 /nfs/dbraw/zinc/87/36/87/678873687.db2.gz GWOCSHHZDFIZQO-IBGZPJMESA-N 1 2 346.858 2.209 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cccc(Cl)c3)C2)C1 ZINC000972486383 678873688 /nfs/dbraw/zinc/87/36/88/678873688.db2.gz GWOCSHHZDFIZQO-IBGZPJMESA-N 1 2 346.858 2.209 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3coc(C(F)F)c3)C2)C1 ZINC000972519145 679144154 /nfs/dbraw/zinc/14/41/54/679144154.db2.gz REXKQITUUYEMAF-INIZCTEOSA-N 1 2 326.343 2.320 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3coc(C(F)F)c3)C2)C1 ZINC000972519145 679144155 /nfs/dbraw/zinc/14/41/55/679144155.db2.gz REXKQITUUYEMAF-INIZCTEOSA-N 1 2 326.343 2.320 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cc(C)ccc3C)C2)C1 ZINC000972529050 679183239 /nfs/dbraw/zinc/18/32/39/679183239.db2.gz WRFYMKBYIXDOIW-HXUWFJFHSA-N 1 2 328.456 2.335 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cc(C)ccc3C)C2)C1 ZINC000972529050 679183241 /nfs/dbraw/zinc/18/32/41/679183241.db2.gz WRFYMKBYIXDOIW-HXUWFJFHSA-N 1 2 328.456 2.335 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4nc(C)ccc4c3)C2)C1 ZINC000972608996 679421864 /nfs/dbraw/zinc/42/18/64/679421864.db2.gz NMKKLWBGQIRSRS-OAQYLSRUSA-N 1 2 349.434 2.093 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4nc(C)ccc4c3)C2)C1 ZINC000972608996 679421866 /nfs/dbraw/zinc/42/18/66/679421866.db2.gz NMKKLWBGQIRSRS-OAQYLSRUSA-N 1 2 349.434 2.093 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](F)CC3CCCCC3)C2)C1 ZINC000972639160 679479543 /nfs/dbraw/zinc/47/95/43/679479543.db2.gz PXHIUEULSDUDQT-IEBWSBKVSA-N 1 2 336.451 2.231 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](F)CC3CCCCC3)C2)C1 ZINC000972639160 679479544 /nfs/dbraw/zinc/47/95/44/679479544.db2.gz PXHIUEULSDUDQT-IEBWSBKVSA-N 1 2 336.451 2.231 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cscn3)C2)cn1 ZINC001023711415 679489257 /nfs/dbraw/zinc/48/92/57/679489257.db2.gz ZKAXTXAJVFQMJE-CQSZACIVSA-N 1 2 340.452 2.161 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cscn3)C2)cn1 ZINC001023711415 679489258 /nfs/dbraw/zinc/48/92/58/679489258.db2.gz ZKAXTXAJVFQMJE-CQSZACIVSA-N 1 2 340.452 2.161 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3nc(C)cs3)C2)nc1 ZINC000972753172 679747261 /nfs/dbraw/zinc/74/72/61/679747261.db2.gz RFFKEEAIHCOESB-OAHLLOKOSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3nc(C)cs3)C2)nc1 ZINC000972753172 679747262 /nfs/dbraw/zinc/74/72/62/679747262.db2.gz RFFKEEAIHCOESB-OAHLLOKOSA-N 1 2 340.452 2.174 20 30 EEEDLO Cc1ncncc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024339489 679877055 /nfs/dbraw/zinc/87/70/55/679877055.db2.gz JZKYXKFLZMTUJP-GOSISDBHSA-N 1 2 349.438 2.441 20 30 EEEDLO Cc1ncncc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024339489 679877056 /nfs/dbraw/zinc/87/70/56/679877056.db2.gz JZKYXKFLZMTUJP-GOSISDBHSA-N 1 2 349.438 2.441 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1nnc2ccccc2n1 ZINC001024555327 680088502 /nfs/dbraw/zinc/08/85/02/680088502.db2.gz UNXZLUDPBAJQTL-ZDUSSCGKSA-N 1 2 345.834 2.362 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1nnc2ccccc2n1 ZINC001024555327 680088508 /nfs/dbraw/zinc/08/85/08/680088508.db2.gz UNXZLUDPBAJQTL-ZDUSSCGKSA-N 1 2 345.834 2.362 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N(C)[C@@H](C)CC(C)C)cc1 ZINC000177477864 681310665 /nfs/dbraw/zinc/31/06/65/681310665.db2.gz IBZKGTPUAPLOMP-AWEZNQCLSA-N 1 2 335.448 2.420 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cn(CCC)nn1 ZINC001024733071 681395589 /nfs/dbraw/zinc/39/55/89/681395589.db2.gz HMNFLEDDCKWPSK-ZDUSSCGKSA-N 1 2 325.844 2.025 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(CCC)nn1 ZINC001024733071 681395594 /nfs/dbraw/zinc/39/55/94/681395594.db2.gz HMNFLEDDCKWPSK-ZDUSSCGKSA-N 1 2 325.844 2.025 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cnsn2)cc1 ZINC001025036398 681791620 /nfs/dbraw/zinc/79/16/20/681791620.db2.gz ANLLASGUHXGODG-QGZVFWFLSA-N 1 2 340.452 2.304 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)o1 ZINC000973049018 681935601 /nfs/dbraw/zinc/93/56/01/681935601.db2.gz WNSJRXLVPORZJD-SWLSCSKDSA-N 1 2 341.415 2.384 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)o1 ZINC000973049018 681935606 /nfs/dbraw/zinc/93/56/06/681935606.db2.gz WNSJRXLVPORZJD-SWLSCSKDSA-N 1 2 341.415 2.384 20 30 EEEDLO C=C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1)c1ccccc1 ZINC001019804927 683455248 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341.390 2.203 20 30 EEEDLO Cc1cnc(C[N@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C)s1 ZINC000993172562 684040587 /nfs/dbraw/zinc/04/05/87/684040587.db2.gz RYCRHNBVXUVFRO-GXTWGEPZSA-N 1 2 343.456 2.434 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C)s1 ZINC000993172562 684040589 /nfs/dbraw/zinc/04/05/89/684040589.db2.gz RYCRHNBVXUVFRO-GXTWGEPZSA-N 1 2 343.456 2.434 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC001027663910 693854967 /nfs/dbraw/zinc/85/49/67/693854967.db2.gz LXZWTZAOELJQLQ-LJQANCHMSA-N 1 2 337.423 2.321 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC001027663910 693854970 /nfs/dbraw/zinc/85/49/70/693854970.db2.gz LXZWTZAOELJQLQ-LJQANCHMSA-N 1 2 337.423 2.321 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@H]2C[C@H](Nc3ccncc3C#N)C2)c(C)[nH+]1 ZINC001059476861 685662947 /nfs/dbraw/zinc/66/29/47/685662947.db2.gz CDBVMZQSPIWXTF-WKILWMFISA-N 1 2 335.411 2.068 20 30 EEEDLO 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345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001033580931 1194907595 /nfs/dbraw/zinc/90/75/95/1194907595.db2.gz VYIMHWINTZCWRM-INIZCTEOSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2nn(C)c3ccccc23)C1 ZINC001033588047 1194916865 /nfs/dbraw/zinc/91/68/65/1194916865.db2.gz BSMDGKCEUDCIER-ZDUSSCGKSA-N 1 2 332.835 2.472 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2nn(C)c3ccccc23)C1 ZINC001033588047 1194916867 /nfs/dbraw/zinc/91/68/67/1194916867.db2.gz BSMDGKCEUDCIER-ZDUSSCGKSA-N 1 2 332.835 2.472 20 30 EEEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc([C@H]2CCCO2)s1 ZINC001018042548 1224250234 /nfs/dbraw/zinc/25/02/34/1224250234.db2.gz IOUKBXZRGFIVLS-QLFBSQMISA-N 1 2 345.468 2.307 20 30 EEEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc([C@H]2CCCO2)s1 ZINC001018042548 1224250237 /nfs/dbraw/zinc/25/02/37/1224250237.db2.gz IOUKBXZRGFIVLS-QLFBSQMISA-N 1 2 345.468 2.307 20 30 EEEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC001018042553 1224250284 /nfs/dbraw/zinc/25/02/84/1224250284.db2.gz IOUKBXZRGFIVLS-ZNMIVQPWSA-N 1 2 345.468 2.307 20 30 EEEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC001018042553 1224250287 /nfs/dbraw/zinc/25/02/87/1224250287.db2.gz IOUKBXZRGFIVLS-ZNMIVQPWSA-N 1 2 345.468 2.307 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001033854202 1195367580 /nfs/dbraw/zinc/36/75/80/1195367580.db2.gz PCXAYNSPUPFECR-ZBFHGGJFSA-N 1 2 348.878 2.257 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001033854202 1195367583 /nfs/dbraw/zinc/36/75/83/1195367583.db2.gz PCXAYNSPUPFECR-ZBFHGGJFSA-N 1 2 348.878 2.257 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(N(C)C)nc2)C1 ZINC001033882873 1195439991 /nfs/dbraw/zinc/43/99/91/1195439991.db2.gz UNLMNDLIHPMLAI-HNNXBMFYSA-N 1 2 336.867 2.437 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(N(C)C)nc2)C1 ZINC001033882873 1195439994 /nfs/dbraw/zinc/43/99/94/1195439994.db2.gz UNLMNDLIHPMLAI-HNNXBMFYSA-N 1 2 336.867 2.437 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001033963364 1195588167 /nfs/dbraw/zinc/58/81/67/1195588167.db2.gz JGUPOBNMUSBGAN-HRCADAONSA-N 1 2 336.867 2.199 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001033963364 1195588170 /nfs/dbraw/zinc/58/81/70/1195588170.db2.gz JGUPOBNMUSBGAN-HRCADAONSA-N 1 2 336.867 2.199 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H](NC(=O)c2cnsn2)C1 ZINC001034114436 1195796467 /nfs/dbraw/zinc/79/64/67/1195796467.db2.gz OKBCNWCKTHDQAF-HNNXBMFYSA-N 1 2 341.440 2.194 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H](NC(=O)c2cnsn2)C1 ZINC001034114436 1195796470 /nfs/dbraw/zinc/79/64/70/1195796470.db2.gz OKBCNWCKTHDQAF-HNNXBMFYSA-N 1 2 341.440 2.194 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@H+](CCOc2ccccc2)CCO1 ZINC001108122375 1195997602 /nfs/dbraw/zinc/99/76/02/1195997602.db2.gz 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CC#CCCCC(=O)NC[C@@]1(C)C[N@H+](Cc2ncccc2C)CCO1 ZINC001108142722 1196533403 /nfs/dbraw/zinc/53/34/03/1196533403.db2.gz ZOIGHRMSPJXNFP-FQEVSTJZSA-N 1 2 343.471 2.291 20 30 EEEDLO CC#CCCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2ncccc2C)CCO1 ZINC001108142722 1196533406 /nfs/dbraw/zinc/53/34/06/1196533406.db2.gz ZOIGHRMSPJXNFP-FQEVSTJZSA-N 1 2 343.471 2.291 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001108152166 1196681724 /nfs/dbraw/zinc/68/17/24/1196681724.db2.gz AWCXVAGQRASDKU-MGPUTAFESA-N 1 2 342.439 2.027 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001108152166 1196681728 /nfs/dbraw/zinc/68/17/28/1196681728.db2.gz AWCXVAGQRASDKU-MGPUTAFESA-N 1 2 342.439 2.027 20 30 EEEDLO COCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(C#N)ccc2F)C1=O ZINC001273206088 1197536088 /nfs/dbraw/zinc/53/60/88/1197536088.db2.gz NVUFYWGSAUWXJI-LJQANCHMSA-N 1 2 345.418 2.301 20 30 EEEDLO COCCCN1CC[C@]2(CCC[N@H+]2Cc2cc(C#N)ccc2F)C1=O ZINC001273206088 1197536092 /nfs/dbraw/zinc/53/60/92/1197536092.db2.gz NVUFYWGSAUWXJI-LJQANCHMSA-N 1 2 345.418 2.301 20 30 EEEDLO C[C@H]1CSC[C@H]1N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000794713201 1197909142 /nfs/dbraw/zinc/90/91/42/1197909142.db2.gz LEBJWXYYXHNQNS-SMDDNHRTSA-N 1 2 342.468 2.398 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)c2ccsn2)C1 ZINC001014875005 1224476487 /nfs/dbraw/zinc/47/64/87/1224476487.db2.gz NTDLGQHIJUCPKS-CQSZACIVSA-N 1 2 342.424 2.028 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)c2ccsn2)C1 ZINC001014875005 1224476493 /nfs/dbraw/zinc/47/64/93/1224476493.db2.gz NTDLGQHIJUCPKS-CQSZACIVSA-N 1 2 342.424 2.028 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)CCOC(C)C ZINC001493078284 1198840846 /nfs/dbraw/zinc/84/08/46/1198840846.db2.gz HSGWVKLMBIDKRH-CYBMUJFWSA-N 1 2 333.270 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)CCOC(C)C ZINC001493078284 1198840848 /nfs/dbraw/zinc/84/08/48/1198840848.db2.gz HSGWVKLMBIDKRH-CYBMUJFWSA-N 1 2 333.270 2.291 20 30 EEEDLO CC[C@H](C)N1CC2(C[NH+](CCCc3cccc(C#N)c3)C2)OCC1=O ZINC001273439405 1198965075 /nfs/dbraw/zinc/96/50/75/1198965075.db2.gz ICKVFRNIMBBTEN-INIZCTEOSA-N 1 2 341.455 2.203 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)CC(C)(C)O)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001132009250 1199201656 /nfs/dbraw/zinc/20/16/56/1199201656.db2.gz IHHCETGOEZIJTQ-GUYCJALGSA-N 1 2 347.434 2.327 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)CC(C)(C)O)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001132009250 1199201661 /nfs/dbraw/zinc/20/16/61/1199201661.db2.gz IHHCETGOEZIJTQ-GUYCJALGSA-N 1 2 347.434 2.327 20 30 EEEDLO CN(C)c1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc1F ZINC000814177381 1199328284 /nfs/dbraw/zinc/32/82/84/1199328284.db2.gz ZXYOVUJTDUNFEU-UHFFFAOYSA-N 1 2 339.418 2.481 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccnc(OC)n2)C1 ZINC001132218326 1199456838 /nfs/dbraw/zinc/45/68/38/1199456838.db2.gz PBHXFSJMCKULPP-KGLIPLIRSA-N 1 2 332.448 2.167 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccnc(OC)n2)C1 ZINC001132218326 1199456840 /nfs/dbraw/zinc/45/68/40/1199456840.db2.gz PBHXFSJMCKULPP-KGLIPLIRSA-N 1 2 332.448 2.167 20 30 EEEDLO COCC#CC[N@@H+]1C[C@H](NC(=O)c2scnc2C2CC2)CC[C@@H]1C ZINC001132340176 1199601414 /nfs/dbraw/zinc/60/14/14/1199601414.db2.gz NZENOABZXVVTTL-DZGCQCFKSA-N 1 2 347.484 2.253 20 30 EEEDLO COCC#CC[N@H+]1C[C@H](NC(=O)c2scnc2C2CC2)CC[C@@H]1C ZINC001132340176 1199601416 /nfs/dbraw/zinc/60/14/16/1199601416.db2.gz NZENOABZXVVTTL-DZGCQCFKSA-N 1 2 347.484 2.253 20 30 EEEDLO CCOC(=O)n1nc2c(c1Nc1cncc(CC#N)c1)C[NH2+]C2(C)C ZINC001170759468 1199672489 /nfs/dbraw/zinc/67/24/89/1199672489.db2.gz CKELOCPZVFRMCE-UHFFFAOYSA-N 1 2 340.387 2.431 20 30 EEEDLO C#CCOc1ccc(C[N@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cc1 ZINC000877774453 1200089237 /nfs/dbraw/zinc/08/92/37/1200089237.db2.gz CLJSPEPVNUODLT-MRXNPFEDSA-N 1 2 340.345 2.342 20 30 EEEDLO C#CCOc1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cc1 ZINC000877774453 1200089242 /nfs/dbraw/zinc/08/92/42/1200089242.db2.gz CLJSPEPVNUODLT-MRXNPFEDSA-N 1 2 340.345 2.342 20 30 EEEDLO C=C(C)[C@H](CC(=O)NCCCN(CC)c1cc[nH+]c(C)n1)OCC ZINC001095922743 1224592807 /nfs/dbraw/zinc/59/28/07/1224592807.db2.gz XYJGWASHAIPKEB-INIZCTEOSA-N 1 2 334.464 2.489 20 30 EEEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C(=O)C(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000811732426 1200275077 /nfs/dbraw/zinc/27/50/77/1200275077.db2.gz RLNLCSHUXGFFCK-DLBZAZTESA-N 1 2 327.428 2.364 20 30 EEEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C(=O)C(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000811732426 1200275081 /nfs/dbraw/zinc/27/50/81/1200275081.db2.gz RLNLCSHUXGFFCK-DLBZAZTESA-N 1 2 327.428 2.364 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114457040 1200596767 /nfs/dbraw/zinc/59/67/67/1200596767.db2.gz IVGAKWSVDBDFAB-HOCLYGCPSA-N 1 2 346.475 2.324 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)N(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001018400522 1224677699 /nfs/dbraw/zinc/67/76/99/1224677699.db2.gz QKHKUDBRPQFZMK-HOTGVXAUSA-N 1 2 344.459 2.125 20 30 EEEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Nc1cc(C#N)c(F)cc1F ZINC000880707976 1201564906 /nfs/dbraw/zinc/56/49/06/1201564906.db2.gz AMWQEPSQCCXBHG-LBPRGKRZSA-N 1 2 338.358 2.069 20 30 EEEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1cc(C#N)c(F)cc1F ZINC000880707976 1201564911 /nfs/dbraw/zinc/56/49/11/1201564911.db2.gz AMWQEPSQCCXBHG-LBPRGKRZSA-N 1 2 338.358 2.069 20 30 EEEDLO C[C@@H](NC(=O)Nc1cc(C#N)c(F)cc1F)[C@@H](C)[NH+]1CCOCC1 ZINC000880714990 1201566514 /nfs/dbraw/zinc/56/65/14/1201566514.db2.gz GPFLAZHRXJYPPO-GHMZBOCLSA-N 1 2 338.358 2.067 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCCN(c3ccc(C)cc3)C2=O)nn1 ZINC000881316649 1201676410 /nfs/dbraw/zinc/67/64/10/1201676410.db2.gz XPDPKKNGPSFVRX-GOSISDBHSA-N 1 2 337.427 2.068 20 30 EEEDLO C[C@](O)(C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1)C(F)F ZINC000886173080 1202479387 /nfs/dbraw/zinc/47/93/87/1202479387.db2.gz FOCDEVAXILUTKX-HNNXBMFYSA-N 1 2 329.778 2.350 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cncc3[nH]ccc32)C1 ZINC001015103491 1224750109 /nfs/dbraw/zinc/75/01/09/1224750109.db2.gz OQUGGBNOFUCRIY-MRXNPFEDSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cncc3[nH]ccc32)C1 ZINC001015103491 1224750110 /nfs/dbraw/zinc/75/01/10/1224750110.db2.gz OQUGGBNOFUCRIY-MRXNPFEDSA-N 1 2 345.406 2.439 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)nc1 ZINC000826563533 1204261619 /nfs/dbraw/zinc/26/16/19/1204261619.db2.gz GUFATFBJUFTYOO-LJQANCHMSA-N 1 2 349.434 2.002 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)nc1 ZINC000826563533 1204261621 /nfs/dbraw/zinc/26/16/21/1204261621.db2.gz GUFATFBJUFTYOO-LJQANCHMSA-N 1 2 349.434 2.002 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C#N)cc2Cl)C1=O ZINC001274103843 1204373602 /nfs/dbraw/zinc/37/36/02/1204373602.db2.gz KTUUNTCIJBURJN-SFHVURJKSA-N 1 2 327.815 2.412 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C#N)cc2Cl)C1=O ZINC001274103843 1204373604 /nfs/dbraw/zinc/37/36/04/1204373604.db2.gz KTUUNTCIJBURJN-SFHVURJKSA-N 1 2 327.815 2.412 20 30 EEEDLO C=C(C)C[C@@H](CO)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890242491 1204812069 /nfs/dbraw/zinc/81/20/69/1204812069.db2.gz QHUJDULLLGEJDO-IRXDYDNUSA-N 1 2 328.416 2.251 20 30 EEEDLO C=C(C)CN1CC2(C[NH+](Cc3cccc4ccoc43)C2)OCC1=O ZINC001274625345 1205103347 /nfs/dbraw/zinc/10/33/47/1205103347.db2.gz HSEYAEMKODOBSR-UHFFFAOYSA-N 1 2 326.396 2.422 20 30 EEEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(Cl)ccnc1F)CC2 ZINC001274651761 1205115378 /nfs/dbraw/zinc/11/53/78/1205115378.db2.gz JTEKNEDFSQQHGS-CYBMUJFWSA-N 1 2 335.810 2.226 20 30 EEEDLO CC[C@H](C)N1C[C@]2(CC[N@H+](Cc3cc(F)ccc3C#N)C2)OCC1=O ZINC001274774715 1205159464 /nfs/dbraw/zinc/15/94/64/1205159464.db2.gz XEPROLSGKGCPPF-IFXJQAMLSA-N 1 2 345.418 2.299 20 30 EEEDLO CC[C@H](C)N1C[C@]2(CC[N@@H+](Cc3cc(F)ccc3C#N)C2)OCC1=O ZINC001274774715 1205159465 /nfs/dbraw/zinc/15/94/65/1205159465.db2.gz XEPROLSGKGCPPF-IFXJQAMLSA-N 1 2 345.418 2.299 20 30 EEEDLO COc1ccccc1C[NH+]1CC2(CCN2Cc2cc(C#N)n(C)c2)C1 ZINC001275253226 1205291991 /nfs/dbraw/zinc/29/19/91/1205291991.db2.gz YJRZLUORFAOHJW-UHFFFAOYSA-N 1 2 336.439 2.366 20 30 EEEDLO COCc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)o1 ZINC001015190752 1224882459 /nfs/dbraw/zinc/88/24/59/1224882459.db2.gz WWWGPVKQSGJGQA-INIZCTEOSA-N 1 2 339.395 2.302 20 30 EEEDLO COCc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)o1 ZINC001015190752 1224882462 /nfs/dbraw/zinc/88/24/62/1224882462.db2.gz WWWGPVKQSGJGQA-INIZCTEOSA-N 1 2 339.395 2.302 20 30 EEEDLO Cc1ncn(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095573159 1205878383 /nfs/dbraw/zinc/87/83/83/1205878383.db2.gz XAAJLONKBCDIQI-SQNIBIBYSA-N 1 2 349.438 2.136 20 30 EEEDLO Cc1ncn(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095573159 1205878385 /nfs/dbraw/zinc/87/83/85/1205878385.db2.gz XAAJLONKBCDIQI-SQNIBIBYSA-N 1 2 349.438 2.136 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCCCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001095580876 1205880854 /nfs/dbraw/zinc/88/08/54/1205880854.db2.gz VUHRSQHVIIELAT-CQSZACIVSA-N 1 2 346.475 2.197 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)(C)C ZINC001110898402 1206063884 /nfs/dbraw/zinc/06/38/84/1206063884.db2.gz DSNWIYGWNQLYGA-KFWWJZLASA-N 1 2 335.492 2.082 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)(C)C ZINC001110898402 1206063888 /nfs/dbraw/zinc/06/38/88/1206063888.db2.gz DSNWIYGWNQLYGA-KFWWJZLASA-N 1 2 335.492 2.082 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)C ZINC001110934808 1206314936 /nfs/dbraw/zinc/31/49/36/1206314936.db2.gz NYHIEUDRJWBDKS-VQHPVUNQSA-N 1 2 335.492 2.082 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)C ZINC001110934808 1206314938 /nfs/dbraw/zinc/31/49/38/1206314938.db2.gz NYHIEUDRJWBDKS-VQHPVUNQSA-N 1 2 335.492 2.082 20 30 EEEDLO Cc1nc(N2CCC[C@@](C)(CNC(=O)c3c[nH]c(C#N)c3)C2)cc[nH+]1 ZINC001110937302 1206322422 /nfs/dbraw/zinc/32/24/22/1206322422.db2.gz RRWRIFZSXBQQGK-SFHVURJKSA-N 1 2 338.415 2.021 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)no2)C[C@H]1C ZINC000947039911 1206349176 /nfs/dbraw/zinc/34/91/76/1206349176.db2.gz BPYMMPIZUXBPJR-NEPJUHHUSA-N 1 2 342.237 2.474 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc(C)no2)C[C@H]1C ZINC000947039911 1206349174 /nfs/dbraw/zinc/34/91/74/1206349174.db2.gz BPYMMPIZUXBPJR-NEPJUHHUSA-N 1 2 342.237 2.474 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)C ZINC001110985409 1206545156 /nfs/dbraw/zinc/54/51/56/1206545156.db2.gz YGAWHVWLFOXSNP-OAFZBRQQSA-N 1 2 335.492 2.082 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)C ZINC001110985409 1206545157 /nfs/dbraw/zinc/54/51/57/1206545157.db2.gz YGAWHVWLFOXSNP-OAFZBRQQSA-N 1 2 335.492 2.082 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnnn1CC ZINC001110989033 1206555505 /nfs/dbraw/zinc/55/55/05/1206555505.db2.gz DOGXTCKNQQKKEF-KBEGMRNHSA-N 1 2 331.464 2.122 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnnn1CC ZINC001110989033 1206555506 /nfs/dbraw/zinc/55/55/06/1206555506.db2.gz DOGXTCKNQQKKEF-KBEGMRNHSA-N 1 2 331.464 2.122 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NCC1(Nc2cc[nH+]c(C)n2)CCOCC1 ZINC001110996691 1206582296 /nfs/dbraw/zinc/58/22/96/1206582296.db2.gz BUBBSICQWULLKA-KBPBESRZSA-N 1 2 332.448 2.321 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(=O)CC(C)C)C2 ZINC001111510124 1207410516 /nfs/dbraw/zinc/41/05/16/1207410516.db2.gz JFDCQMRNHWCMDO-KFWWJZLASA-N 1 2 341.883 2.013 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCNC(=O)CC(C)C)C2 ZINC001111510124 1207410518 /nfs/dbraw/zinc/41/05/18/1207410518.db2.gz JFDCQMRNHWCMDO-KFWWJZLASA-N 1 2 341.883 2.013 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@]1(O)CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001111116602 1208267833 /nfs/dbraw/zinc/26/78/33/1208267833.db2.gz KPDBTDFAYMJCRK-IBGZPJMESA-N 1 2 346.475 2.178 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@@]1(O)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001111119479 1208269175 /nfs/dbraw/zinc/26/91/75/1208269175.db2.gz HJIPXEFGEAVRCU-APWZRJJASA-N 1 2 346.475 2.062 20 30 EEEDLO C=CCOCC(=O)N1C[C@H](C)[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001111245542 1208419422 /nfs/dbraw/zinc/41/94/22/1208419422.db2.gz LBVSFNFVEYPIIW-XJKSGUPXSA-N 1 2 344.459 2.371 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2n(n1)CCC2 ZINC000948923940 1209455790 /nfs/dbraw/zinc/45/57/90/1209455790.db2.gz XXIORVAULFORJX-FQEVSTJZSA-N 1 2 348.450 2.182 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2n(n1)CCC2 ZINC000948923940 1209455792 /nfs/dbraw/zinc/45/57/92/1209455792.db2.gz XXIORVAULFORJX-FQEVSTJZSA-N 1 2 348.450 2.182 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1c2ccccc2CC[N@H+]1CCF ZINC000948957798 1209473694 /nfs/dbraw/zinc/47/36/94/1209473694.db2.gz IXFMISFUSDRFIL-SQNIBIBYSA-N 1 2 332.419 2.263 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1c2ccccc2CC[N@@H+]1CCF ZINC000948957798 1209473695 /nfs/dbraw/zinc/47/36/95/1209473695.db2.gz IXFMISFUSDRFIL-SQNIBIBYSA-N 1 2 332.419 2.263 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ncccc1OC ZINC000948982434 1209487913 /nfs/dbraw/zinc/48/79/13/1209487913.db2.gz LJUDDDGLRWEGOR-KRWDZBQOSA-N 1 2 335.407 2.053 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ncccc1OC ZINC000948982434 1209487914 /nfs/dbraw/zinc/48/79/14/1209487914.db2.gz LJUDDDGLRWEGOR-KRWDZBQOSA-N 1 2 335.407 2.053 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cncnc1CC ZINC000948987060 1209491137 /nfs/dbraw/zinc/49/11/37/1209491137.db2.gz SNDFKGBUZYVDJO-HXUWFJFHSA-N 1 2 348.450 2.392 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cncnc1CC ZINC000948987060 1209491141 /nfs/dbraw/zinc/49/11/41/1209491141.db2.gz SNDFKGBUZYVDJO-HXUWFJFHSA-N 1 2 348.450 2.392 20 30 EEEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(Cc2ccccc2C#N)C1 ZINC000950550061 1210270836 /nfs/dbraw/zinc/27/08/36/1210270836.db2.gz USQMLCDRNQULFI-QZTJIDSGSA-N 1 2 349.438 2.118 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC000950832180 1210453085 /nfs/dbraw/zinc/45/30/85/1210453085.db2.gz SOGRYOSQSBOQCL-CVEARBPZSA-N 1 2 344.459 2.298 20 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/nfs/dbraw/zinc/00/02/71/1212000271.db2.gz LZVHQIBKRIMFLU-UHFFFAOYSA-N 1 2 330.413 2.274 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)CC1 ZINC000955793517 1213339239 /nfs/dbraw/zinc/33/92/39/1213339239.db2.gz CCRUTHVHGKPZTN-GDBMZVCRSA-N 1 2 344.459 2.194 20 30 EEEDLO Cc1cc(C2(C(=O)N[C@@H]3CC[N@H+](CC#Cc4ccccc4)C3)CC2)on1 ZINC001015608955 1225459755 /nfs/dbraw/zinc/45/97/55/1225459755.db2.gz WFGYSVLSKMOELH-GOSISDBHSA-N 1 2 349.434 2.257 20 30 EEEDLO Cc1cc(C2(C(=O)N[C@@H]3CC[N@@H+](CC#Cc4ccccc4)C3)CC2)on1 ZINC001015608955 1225459759 /nfs/dbraw/zinc/45/97/59/1225459759.db2.gz WFGYSVLSKMOELH-GOSISDBHSA-N 1 2 349.434 2.257 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C(C)(C)C)C2)CC1 ZINC000956605899 1214127374 /nfs/dbraw/zinc/12/73/74/1214127374.db2.gz NFITXYHSOPYGTG-UZLBHIALSA-N 1 2 349.519 2.380 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cc4n(n3)CCC4)C2)CC1 ZINC001015659621 1225520889 /nfs/dbraw/zinc/52/08/89/1225520889.db2.gz FUPYKKKBGACTDJ-INIZCTEOSA-N 1 2 328.460 2.266 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc4n(n3)CCC4)C2)CC1 ZINC001015659621 1225520891 /nfs/dbraw/zinc/52/08/91/1225520891.db2.gz FUPYKKKBGACTDJ-INIZCTEOSA-N 1 2 328.460 2.266 20 30 EEEDLO CC#CCCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001114645513 1214389647 /nfs/dbraw/zinc/38/96/47/1214389647.db2.gz BDXUVMYGZPBZRY-GDBMZVCRSA-N 1 2 330.432 2.006 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn3cccc(OC)c23)C1 ZINC000956962713 1214709268 /nfs/dbraw/zinc/70/92/68/1214709268.db2.gz IDLCOMMDBCEMDI-UHFFFAOYSA-N 1 2 328.416 2.065 20 30 EEEDLO C=CCCC(=O)N1C[C@H](CNc2ncnc3c2C[N@H+](C)CC3)C[C@@H]1C ZINC001114674593 1214791782 /nfs/dbraw/zinc/79/17/82/1214791782.db2.gz MMWPXAJPPFWQQS-GJZGRUSLSA-N 1 2 343.475 2.080 20 30 EEEDLO C=CCCC(=O)N1C[C@H](CNc2ncnc3c2C[N@@H+](C)CC3)C[C@@H]1C ZINC001114674593 1214791787 /nfs/dbraw/zinc/79/17/87/1214791787.db2.gz MMWPXAJPPFWQQS-GJZGRUSLSA-N 1 2 343.475 2.080 20 30 EEEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](C[C@@H]3CC(C)(C)CO3)C2)cn1 ZINC000957290343 1215027768 /nfs/dbraw/zinc/02/77/68/1215027768.db2.gz UKIHNVZIXVJUGA-SFHVURJKSA-N 1 2 341.455 2.024 20 30 EEEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)c3c[nH]c4cccnc34)CC2)c1 ZINC000957337102 1215058254 /nfs/dbraw/zinc/05/82/54/1215058254.db2.gz JFCPCFGJRCKGSA-UHFFFAOYSA-N 1 2 345.406 2.393 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(CF)cc3)CC2)nc1 ZINC000957378673 1215088671 /nfs/dbraw/zinc/08/86/71/1215088671.db2.gz BPQQUIWMUUYNFV-UHFFFAOYSA-N 1 2 337.398 2.490 20 30 EEEDLO CCc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)ccn1C ZINC001015707852 1225578328 /nfs/dbraw/zinc/57/83/28/1225578328.db2.gz UGBFYQSJPZEWHZ-QGZVFWFLSA-N 1 2 336.439 2.463 20 30 EEEDLO CCc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)ccn1C ZINC001015707852 1225578334 /nfs/dbraw/zinc/57/83/34/1225578334.db2.gz UGBFYQSJPZEWHZ-QGZVFWFLSA-N 1 2 336.439 2.463 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N[C@H]1C[C@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001114806909 1215409173 /nfs/dbraw/zinc/40/91/73/1215409173.db2.gz HVXVHNXHKPJTMF-JURCDPSOSA-N 1 2 346.479 2.011 20 30 EEEDLO CC(C)n1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001015784231 1225665887 /nfs/dbraw/zinc/66/58/87/1225665887.db2.gz DSYXWGBQDZCWPN-QGZVFWFLSA-N 1 2 337.427 2.340 20 30 EEEDLO CC(C)n1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001015784231 1225665892 /nfs/dbraw/zinc/66/58/92/1225665892.db2.gz DSYXWGBQDZCWPN-QGZVFWFLSA-N 1 2 337.427 2.340 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C2CC2)CC1 ZINC000960451465 1216590236 /nfs/dbraw/zinc/59/02/36/1216590236.db2.gz JLIZKRBCRNVGED-PIIMJCKOSA-N 1 2 339.414 2.434 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C2CC2)CC1 ZINC000960451465 1216590241 /nfs/dbraw/zinc/59/02/41/1216590241.db2.gz JLIZKRBCRNVGED-PIIMJCKOSA-N 1 2 339.414 2.434 20 30 EEEDLO COc1nc(C)ccc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015798900 1225683211 /nfs/dbraw/zinc/68/32/11/1225683211.db2.gz AJKQDFPWWRQZCF-GOSISDBHSA-N 1 2 349.434 2.254 20 30 EEEDLO COc1nc(C)ccc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015798900 1225683213 /nfs/dbraw/zinc/68/32/13/1225683213.db2.gz AJKQDFPWWRQZCF-GOSISDBHSA-N 1 2 349.434 2.254 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2ccn(C)n2)cc1 ZINC000960784781 1216894725 /nfs/dbraw/zinc/89/47/25/1216894725.db2.gz YHTZYGBFLIHIQU-LJQANCHMSA-N 1 2 336.439 2.138 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ccn(C)n2)cc1 ZINC000960784781 1216894730 /nfs/dbraw/zinc/89/47/30/1216894730.db2.gz YHTZYGBFLIHIQU-LJQANCHMSA-N 1 2 336.439 2.138 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cn(CC2CC2)nn1 ZINC000960793069 1216900513 /nfs/dbraw/zinc/90/05/13/1216900513.db2.gz XSLQEPMTJZYSPL-KRWDZBQOSA-N 1 2 345.491 2.323 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cn(CC2CC2)nn1 ZINC000960793069 1216900517 /nfs/dbraw/zinc/90/05/17/1216900517.db2.gz XSLQEPMTJZYSPL-KRWDZBQOSA-N 1 2 345.491 2.323 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccon1 ZINC000960926609 1216977493 /nfs/dbraw/zinc/97/74/93/1216977493.db2.gz GHUYJQRJOIEPJK-ULQDDVLXSA-N 1 2 333.432 2.079 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccon1 ZINC000960926609 1216977494 /nfs/dbraw/zinc/97/74/94/1216977494.db2.gz GHUYJQRJOIEPJK-ULQDDVLXSA-N 1 2 333.432 2.079 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001066795682 1217094412 /nfs/dbraw/zinc/09/44/12/1217094412.db2.gz AQDPJDXMAMQJFB-ZACQAIPSSA-N 1 2 344.459 2.241 20 30 EEEDLO CC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)CCOCC1 ZINC001015847047 1225739539 /nfs/dbraw/zinc/73/95/39/1225739539.db2.gz SFRKEKHIGNRWIO-QGZVFWFLSA-N 1 2 327.428 2.065 20 30 EEEDLO CC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CCOCC1 ZINC001015847047 1225739547 /nfs/dbraw/zinc/73/95/47/1225739547.db2.gz SFRKEKHIGNRWIO-QGZVFWFLSA-N 1 2 327.428 2.065 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000965166716 1218935938 /nfs/dbraw/zinc/93/59/38/1218935938.db2.gz SEYVOMDKZOBFSB-HNNXBMFYSA-N 1 2 344.459 2.114 20 30 EEEDLO C[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cocn1 ZINC000965554604 1219141793 /nfs/dbraw/zinc/14/17/93/1219141793.db2.gz DDIILKSCCCAHSU-WMLDXEAASA-N 1 2 341.386 2.306 20 30 EEEDLO C[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cocn1 ZINC000965554604 1219141794 /nfs/dbraw/zinc/14/17/94/1219141794.db2.gz DDIILKSCCCAHSU-WMLDXEAASA-N 1 2 341.386 2.306 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001067127568 1225877896 /nfs/dbraw/zinc/87/78/96/1225877896.db2.gz QDSXNBWMBOAJAB-DIFFPNOSSA-N 1 2 341.390 2.230 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C)n3CCC)C[C@H]21 ZINC001114898970 1219943342 /nfs/dbraw/zinc/94/33/42/1219943342.db2.gz KBBSBKSBYRMAKA-QLPKVWCKSA-N 1 2 345.491 2.145 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nnc(C)n3CCC)C[C@H]21 ZINC001114898970 1219943346 /nfs/dbraw/zinc/94/33/46/1219943346.db2.gz KBBSBKSBYRMAKA-QLPKVWCKSA-N 1 2 345.491 2.145 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@@H]1C ZINC000966697770 1219955353 /nfs/dbraw/zinc/95/53/53/1219955353.db2.gz ZJVIBWULTIDDTG-DOTOQJQBSA-N 1 2 341.459 2.048 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)CC[C@@H]1C ZINC000966697770 1219955354 /nfs/dbraw/zinc/95/53/54/1219955354.db2.gz ZJVIBWULTIDDTG-DOTOQJQBSA-N 1 2 341.459 2.048 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2cn3ccccc3n2)C1 ZINC000966915636 1220116849 /nfs/dbraw/zinc/11/68/49/1220116849.db2.gz QOJAYOTZLAUPES-XJKSGUPXSA-N 1 2 346.862 2.456 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2cn3ccccc3n2)C1 ZINC000966915636 1220116851 /nfs/dbraw/zinc/11/68/51/1220116851.db2.gz QOJAYOTZLAUPES-XJKSGUPXSA-N 1 2 346.862 2.456 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)c1cnco1 ZINC000967560954 1220628985 /nfs/dbraw/zinc/62/89/85/1220628985.db2.gz OMXJCSIPUYUSAV-LRDDRELGSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)c1cnco1 ZINC000967560954 1220628987 /nfs/dbraw/zinc/62/89/87/1220628987.db2.gz OMXJCSIPUYUSAV-LRDDRELGSA-N 1 2 342.374 2.326 20 30 EEEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cnc(-c3ccco3)s2)C1 ZINC000968566550 1221407716 /nfs/dbraw/zinc/40/77/16/1221407716.db2.gz UQVRFBREUOQDNH-QWHCGFSZSA-N 1 2 329.425 2.477 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cnc(-c3ccco3)s2)C1 ZINC000968566550 1221407717 /nfs/dbraw/zinc/40/77/17/1221407717.db2.gz UQVRFBREUOQDNH-QWHCGFSZSA-N 1 2 329.425 2.477 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC000968653052 1221465281 /nfs/dbraw/zinc/46/52/81/1221465281.db2.gz YKOLREYUEILYCK-BMIGLBTASA-N 1 2 347.850 2.459 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC000968653052 1221465283 /nfs/dbraw/zinc/46/52/83/1221465283.db2.gz YKOLREYUEILYCK-BMIGLBTASA-N 1 2 347.850 2.459 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2c(C)nn3cccnc23)C1 ZINC000968663787 1221473498 /nfs/dbraw/zinc/47/34/98/1221473498.db2.gz AYZBHQOTSWLMCX-SMDDNHRTSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2c(C)nn3cccnc23)C1 ZINC000968663787 1221473500 /nfs/dbraw/zinc/47/35/00/1221473500.db2.gz AYZBHQOTSWLMCX-SMDDNHRTSA-N 1 2 347.850 2.230 20 30 EEEDLO C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC000968684631 1221489357 /nfs/dbraw/zinc/48/93/57/1221489357.db2.gz FVRLJTCYYYZBCI-ZFWWWQNUSA-N 1 2 325.416 2.098 20 30 EEEDLO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC000968684631 1221489361 /nfs/dbraw/zinc/48/93/61/1221489361.db2.gz FVRLJTCYYYZBCI-ZFWWWQNUSA-N 1 2 325.416 2.098 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)[nH]n1 ZINC001006846178 1221975751 /nfs/dbraw/zinc/97/57/51/1221975751.db2.gz KNHXSYNYWQOLCZ-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)[nH]n1 ZINC001006846178 1221975752 /nfs/dbraw/zinc/97/57/52/1221975752.db2.gz KNHXSYNYWQOLCZ-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1ocnc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001006871886 1221992014 /nfs/dbraw/zinc/99/20/14/1221992014.db2.gz ONWCAXDXJVJVDQ-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ocnc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001006871886 1221992019 /nfs/dbraw/zinc/99/20/19/1221992019.db2.gz ONWCAXDXJVJVDQ-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1ccnc(F)c1 ZINC001006902613 1222003554 /nfs/dbraw/zinc/00/35/54/1222003554.db2.gz CQQXMKLVFRBTRH-SFHVURJKSA-N 1 2 337.398 2.467 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1ccnc(F)c1 ZINC001006902613 1222003558 /nfs/dbraw/zinc/00/35/58/1222003558.db2.gz CQQXMKLVFRBTRH-SFHVURJKSA-N 1 2 337.398 2.467 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)nn1 ZINC001007313330 1222165632 /nfs/dbraw/zinc/16/56/32/1222165632.db2.gz SNPFEGRRAKVHSJ-ZDUSSCGKSA-N 1 2 341.440 2.113 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)nn1 ZINC001007313330 1222165634 /nfs/dbraw/zinc/16/56/34/1222165634.db2.gz SNPFEGRRAKVHSJ-ZDUSSCGKSA-N 1 2 341.440 2.113 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC001007460102 1222240608 /nfs/dbraw/zinc/24/06/08/1222240608.db2.gz RNJATXQOXPWUFC-GOSISDBHSA-N 1 2 348.450 2.075 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC001007460102 1222240611 /nfs/dbraw/zinc/24/06/11/1222240611.db2.gz RNJATXQOXPWUFC-GOSISDBHSA-N 1 2 348.450 2.075 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)Cc2cscn2)C1 ZINC001008769001 1223030494 /nfs/dbraw/zinc/03/04/94/1223030494.db2.gz YIYHOROOHQETGX-MRXNPFEDSA-N 1 2 340.452 2.338 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)Cc2cscn2)C1 ZINC001008769001 1223030499 /nfs/dbraw/zinc/03/04/99/1223030499.db2.gz YIYHOROOHQETGX-MRXNPFEDSA-N 1 2 340.452 2.338 20 30 EEEDLO C[C@@]1(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)CCOC1 ZINC001008986802 1223104132 /nfs/dbraw/zinc/10/41/32/1223104132.db2.gz RNFIXLROUVEJSZ-AZUAARDMSA-N 1 2 344.430 2.184 20 30 EEEDLO C[C@@]1(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)CCOC1 ZINC001008986802 1223104133 /nfs/dbraw/zinc/10/41/33/1223104133.db2.gz RNFIXLROUVEJSZ-AZUAARDMSA-N 1 2 344.430 2.184 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001009059668 1223127578 /nfs/dbraw/zinc/12/75/78/1223127578.db2.gz RTLFIMHYTBWFFC-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001009059668 1223127579 /nfs/dbraw/zinc/12/75/79/1223127579.db2.gz RTLFIMHYTBWFFC-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)c3cnc(C)cn3)C2)nc1 ZINC001009268825 1223194441 /nfs/dbraw/zinc/19/44/41/1223194441.db2.gz LBKDWDKEIZYOKF-NVXWUHKLSA-N 1 2 349.438 2.117 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)c3cnc(C)cn3)C2)nc1 ZINC001009268825 1223194442 /nfs/dbraw/zinc/19/44/42/1223194442.db2.gz LBKDWDKEIZYOKF-NVXWUHKLSA-N 1 2 349.438 2.117 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(C)ns3)C2)nc1 ZINC001009272028 1223195482 /nfs/dbraw/zinc/19/54/82/1223195482.db2.gz WZIDIYWUUGXIKG-OAHLLOKOSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(C)ns3)C2)nc1 ZINC001009272028 1223195484 /nfs/dbraw/zinc/19/54/84/1223195484.db2.gz WZIDIYWUUGXIKG-OAHLLOKOSA-N 1 2 340.452 2.222 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)c1cocn1 ZINC001010372097 1223687325 /nfs/dbraw/zinc/68/73/25/1223687325.db2.gz AHAMIJIKNXJTMN-OAHLLOKOSA-N 1 2 329.787 2.184 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)c1cocn1 ZINC001010372097 1223687327 /nfs/dbraw/zinc/68/73/27/1223687327.db2.gz AHAMIJIKNXJTMN-OAHLLOKOSA-N 1 2 329.787 2.184 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCOCC3)C2)c(F)c1 ZINC001010804043 1223913975 /nfs/dbraw/zinc/91/39/75/1223913975.db2.gz BIUGZJGXAZQKIC-RDJZCZTQSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCCOCC3)C2)c(F)c1 ZINC001010804043 1223913981 /nfs/dbraw/zinc/91/39/81/1223913981.db2.gz BIUGZJGXAZQKIC-RDJZCZTQSA-N 1 2 345.418 2.205 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@H]12 ZINC001014370685 1226536250 /nfs/dbraw/zinc/53/62/50/1226536250.db2.gz OBCCUMOTGDZPRD-KXBFYZLASA-N 1 2 344.459 2.113 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001014435262 1226613991 /nfs/dbraw/zinc/61/39/91/1226613991.db2.gz NNSZUTBGXLOZQJ-DLBZAZTESA-N 1 2 349.438 2.092 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001014435262 1226613994 /nfs/dbraw/zinc/61/39/94/1226613994.db2.gz NNSZUTBGXLOZQJ-DLBZAZTESA-N 1 2 349.438 2.092 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001014473380 1226658872 /nfs/dbraw/zinc/65/88/72/1226658872.db2.gz ZJCXHIYZOGKIGB-OTWHNJEPSA-N 1 2 339.439 2.230 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001014473380 1226658875 /nfs/dbraw/zinc/65/88/75/1226658875.db2.gz ZJCXHIYZOGKIGB-OTWHNJEPSA-N 1 2 339.439 2.230 20 30 EEEDLO Cc1nc([C@@H](C)[N@H+](C)C[C@@H]2CCCN(C(=O)C#CC3CC3)C2)no1 ZINC001017128725 1227152092 /nfs/dbraw/zinc/15/20/92/1227152092.db2.gz UWNKZBGJBPFEGC-CJNGLKHVSA-N 1 2 330.432 2.023 20 30 EEEDLO Cc1nc([C@@H](C)[N@@H+](C)C[C@@H]2CCCN(C(=O)C#CC3CC3)C2)no1 ZINC001017128725 1227152094 /nfs/dbraw/zinc/15/20/94/1227152094.db2.gz UWNKZBGJBPFEGC-CJNGLKHVSA-N 1 2 330.432 2.023 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C(C)(C)C)C1=O ZINC001017664768 1227616196 /nfs/dbraw/zinc/61/61/96/1227616196.db2.gz JPCKVKDVHSZEEL-NXOAAHMSSA-N 1 2 347.503 2.131 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C(C)(C)C)C1=O ZINC001017664768 1227616201 /nfs/dbraw/zinc/61/62/01/1227616201.db2.gz JPCKVKDVHSZEEL-NXOAAHMSSA-N 1 2 347.503 2.131 20 30 EEEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C2CC2)c1Cl ZINC001017703843 1227656477 /nfs/dbraw/zinc/65/64/77/1227656477.db2.gz GIMQZNQKEWHGRD-BETUJISGSA-N 1 2 332.835 2.253 20 30 EEEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(C2CC2)c1Cl ZINC001017703843 1227656481 /nfs/dbraw/zinc/65/64/81/1227656481.db2.gz GIMQZNQKEWHGRD-BETUJISGSA-N 1 2 332.835 2.253 20 30 EEEDLO C=C(Cl)CN1CC[C@@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001038267456 1229713657 /nfs/dbraw/zinc/71/36/57/1229713657.db2.gz UXWZUTGOKCHEFO-FVQBIDKESA-N 1 2 348.878 2.097 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)C2)nc1 ZINC001058407683 1248999201 /nfs/dbraw/zinc/99/92/01/1248999201.db2.gz SFMQWYIMHKPVTO-INIZCTEOSA-N 1 2 349.438 2.293 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)C2)cn1 ZINC001058407645 1249000162 /nfs/dbraw/zinc/00/01/62/1249000162.db2.gz RJTADZXUYLJHJN-KRWDZBQOSA-N 1 2 347.422 2.047 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]2[C@H](C)c2ccc(F)cc2)nn1 ZINC001038782990 1230051711 /nfs/dbraw/zinc/05/17/11/1230051711.db2.gz NLCJNTVHAJHGQL-CZUORRHYSA-N 1 2 343.406 2.169 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+]2[C@H](C)c2ccc(F)cc2)nn1 ZINC001038782990 1230051713 /nfs/dbraw/zinc/05/17/13/1230051713.db2.gz NLCJNTVHAJHGQL-CZUORRHYSA-N 1 2 343.406 2.169 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1c(C)noc1C ZINC001038797374 1230064055 /nfs/dbraw/zinc/06/40/55/1230064055.db2.gz SFNOZIGSECAIAZ-BQFCYCMXSA-N 1 2 347.459 2.353 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1c(C)noc1C ZINC001038797374 1230064058 /nfs/dbraw/zinc/06/40/58/1230064058.db2.gz SFNOZIGSECAIAZ-BQFCYCMXSA-N 1 2 347.459 2.353 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC(C)(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001067284681 1230265174 /nfs/dbraw/zinc/26/51/74/1230265174.db2.gz CJIZAQVTUZQTHB-UHFFFAOYSA-N 1 2 342.447 2.369 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1c1cccc(F)c1C#N ZINC001039819615 1230833266 /nfs/dbraw/zinc/83/32/66/1230833266.db2.gz WDBQIEQEXDMPNJ-QWHCGFSZSA-N 1 2 341.390 2.137 20 30 EEEDLO Cc1nc(NC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC[C@@H]2C)cc[nH+]1 ZINC001039862150 1230865209 /nfs/dbraw/zinc/86/52/09/1230865209.db2.gz NSNGGQVJVAIZBK-GXTWGEPZSA-N 1 2 338.415 2.195 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccnc2)c1 ZINC001039905849 1230900538 /nfs/dbraw/zinc/90/05/38/1230900538.db2.gz YOEKYPNXBZXGFH-BGYRXZFFSA-N 1 2 346.434 2.337 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccnc2)c1 ZINC001039905849 1230900541 /nfs/dbraw/zinc/90/05/41/1230900541.db2.gz YOEKYPNXBZXGFH-BGYRXZFFSA-N 1 2 346.434 2.337 20 30 EEEDLO C[C@H]1[C@@H](Nc2cccc(F)c2C#N)CCN1C(=O)Cc1c[nH+]cn1C ZINC001040154644 1231061297 /nfs/dbraw/zinc/06/12/97/1231061297.db2.gz BXDKGUSZQITKDO-LRDDRELGSA-N 1 2 341.390 2.075 20 30 EEEDLO C[C@@H](CC(=O)N1CC[C@H](Nc2ccc(C#N)cn2)[C@@H]1C)n1cc[nH+]c1 ZINC001040260365 1231138127 /nfs/dbraw/zinc/13/81/27/1231138127.db2.gz LBKOBMKRLROZKI-DZKIICNBSA-N 1 2 338.415 2.202 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C)n1 ZINC001040271539 1231145224 /nfs/dbraw/zinc/14/52/24/1231145224.db2.gz LIWVRKJNPAIIDD-BBRMVZONSA-N 1 2 338.415 2.019 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C)n1 ZINC001040271539 1231145228 /nfs/dbraw/zinc/14/52/28/1231145228.db2.gz LIWVRKJNPAIIDD-BBRMVZONSA-N 1 2 338.415 2.019 20 30 EEEDLO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(-c4nnc[nH]4)c3)C2)C1 ZINC001041531123 1231583833 /nfs/dbraw/zinc/58/38/33/1231583833.db2.gz DKXQTBJZFSNSSR-IBGZPJMESA-N 1 2 337.427 2.196 20 30 EEEDLO C=CC[N@H+]1CC[C@]2(CCN(C(=O)c3cccc(-c4nnc[nH]4)c3)C2)C1 ZINC001041531123 1231583836 /nfs/dbraw/zinc/58/38/36/1231583836.db2.gz DKXQTBJZFSNSSR-IBGZPJMESA-N 1 2 337.427 2.196 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@]3(CC[N@@H+](Cc4nnc(C)o4)C3)C2)C1 ZINC001041653721 1231638891 /nfs/dbraw/zinc/63/88/91/1231638891.db2.gz VHZLOIHGFMTDAI-SFHVURJKSA-N 1 2 330.432 2.159 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@]3(CC[N@H+](Cc4nnc(C)o4)C3)C2)C1 ZINC001041653721 1231638892 /nfs/dbraw/zinc/63/88/92/1231638892.db2.gz VHZLOIHGFMTDAI-SFHVURJKSA-N 1 2 330.432 2.159 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001067514304 1249152651 /nfs/dbraw/zinc/15/26/51/1249152651.db2.gz LTOKEPJVMDRIEO-AWEZNQCLSA-N 1 2 334.464 2.107 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001067514304 1249152654 /nfs/dbraw/zinc/15/26/54/1249152654.db2.gz LTOKEPJVMDRIEO-AWEZNQCLSA-N 1 2 334.464 2.107 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[C@@H]3CC[N@H+](Cc4nccs4)[C@@H]3C2)c[nH]1 ZINC001042020544 1231835506 /nfs/dbraw/zinc/83/55/06/1231835506.db2.gz WXNGCHNVBTYRCA-SWLSCSKDSA-N 1 2 341.440 2.079 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4nccs4)[C@@H]3C2)c[nH]1 ZINC001042020544 1231835512 /nfs/dbraw/zinc/83/55/12/1231835512.db2.gz WXNGCHNVBTYRCA-SWLSCSKDSA-N 1 2 341.440 2.079 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[C@@H]3CC[N@H+](Cc4nccs4)[C@H]3C2)c[nH]1 ZINC001042020547 1231835826 /nfs/dbraw/zinc/83/58/26/1231835826.db2.gz WXNGCHNVBTYRCA-WFASDCNBSA-N 1 2 341.440 2.079 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4nccs4)[C@H]3C2)c[nH]1 ZINC001042020547 1231835828 /nfs/dbraw/zinc/83/58/28/1231835828.db2.gz WXNGCHNVBTYRCA-WFASDCNBSA-N 1 2 341.440 2.079 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@@H]2CC[N@H+](Cc3coc(C4CC4)n3)[C@H]2C1 ZINC001042057077 1231858701 /nfs/dbraw/zinc/85/87/01/1231858701.db2.gz FUHZZOLRXDYAFM-YJBOKZPZSA-N 1 2 339.439 2.388 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@@H]2CC[N@@H+](Cc3coc(C4CC4)n3)[C@H]2C1 ZINC001042057077 1231858706 /nfs/dbraw/zinc/85/87/06/1231858706.db2.gz FUHZZOLRXDYAFM-YJBOKZPZSA-N 1 2 339.439 2.388 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4nnc(C)[nH]4)[C@H]3C2)CC1 ZINC001042215703 1231960500 /nfs/dbraw/zinc/96/05/00/1231960500.db2.gz GASCEMWLARJTER-RDJZCZTQSA-N 1 2 343.475 2.282 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]3CC[N@H+](Cc4nnc(C)[nH]4)[C@H]3C2)CC1 ZINC001042215703 1231960503 /nfs/dbraw/zinc/96/05/03/1231960503.db2.gz GASCEMWLARJTER-RDJZCZTQSA-N 1 2 343.475 2.282 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4cnns4)[C@H]3C2)C1 ZINC001042223309 1231965476 /nfs/dbraw/zinc/96/54/76/1231965476.db2.gz DDGUUVCPMPWBFH-HIFRSBDPSA-N 1 2 332.473 2.317 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cnns4)[C@H]3C2)C1 ZINC001042223309 1231965478 /nfs/dbraw/zinc/96/54/78/1231965478.db2.gz DDGUUVCPMPWBFH-HIFRSBDPSA-N 1 2 332.473 2.317 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCCCN(CC)c1[nH+]cnc2c1cnn2C ZINC001095946865 1232491970 /nfs/dbraw/zinc/49/19/70/1232491970.db2.gz OWSNEAYCJKIHJA-CQSZACIVSA-N 1 2 344.463 2.298 20 30 EEEDLO C[C@H]1C[C@@H]1CC(=O)N(C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001043738798 1232559999 /nfs/dbraw/zinc/55/99/99/1232559999.db2.gz QTLYIXPJBSTGIM-GOEBONIOSA-N 1 2 327.428 2.278 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](Cc2ccc(OC)c(C)c2)C1 ZINC001043921871 1232626187 /nfs/dbraw/zinc/62/61/87/1232626187.db2.gz CAWNLGXRXPTGAG-MSOLQXFVSA-N 1 2 344.455 2.237 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@H](OC)c3ccccc3)C2)nc1 ZINC001044203649 1232786072 /nfs/dbraw/zinc/78/60/72/1232786072.db2.gz RVSBSCRBPBCIQU-FQEVSTJZSA-N 1 2 349.434 2.207 20 30 EEEDLO Cc1cc(N(CCCNC(=O)[C@@H](C)C#N)C2CC2)nc(C2CC2)[nH+]1 ZINC001096016286 1233606034 /nfs/dbraw/zinc/60/60/34/1233606034.db2.gz KEBQROQXVBIHJX-LBPRGKRZSA-N 1 2 327.432 2.297 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001045564513 1233819967 /nfs/dbraw/zinc/81/99/67/1233819967.db2.gz CTDDWZSJQFWCTK-CHWSQXEVSA-N 1 2 345.281 2.433 20 30 EEEDLO C#Cc1ccc(C(=O)NC2(C)CC[NH+]([C@H](C)c3ncccn3)CC2)cn1 ZINC001045623195 1233865555 /nfs/dbraw/zinc/86/55/55/1233865555.db2.gz IBMGZQQWISKNKG-OAHLLOKOSA-N 1 2 349.438 2.198 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nn(CC)nc1C ZINC001045826543 1234041019 /nfs/dbraw/zinc/04/10/19/1234041019.db2.gz AHGRODLNYCGMLF-CVEARBPZSA-N 1 2 345.491 2.384 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nn(CC)nc1C ZINC001045826543 1234041026 /nfs/dbraw/zinc/04/10/26/1234041026.db2.gz AHGRODLNYCGMLF-CVEARBPZSA-N 1 2 345.491 2.384 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC001046239551 1234584856 /nfs/dbraw/zinc/58/48/56/1234584856.db2.gz LRNJDUPWESLKIQ-INIZCTEOSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC001046239551 1234584859 /nfs/dbraw/zinc/58/48/59/1234584859.db2.gz LRNJDUPWESLKIQ-INIZCTEOSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)s1 ZINC001046253250 1234597036 /nfs/dbraw/zinc/59/70/36/1234597036.db2.gz SRMAQMHNPVLMTI-INIZCTEOSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)s1 ZINC001046253250 1234597041 /nfs/dbraw/zinc/59/70/41/1234597041.db2.gz SRMAQMHNPVLMTI-INIZCTEOSA-N 1 2 329.429 2.046 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001046338103 1234680377 /nfs/dbraw/zinc/68/03/77/1234680377.db2.gz PQKPJZYBFCJIOY-QGZVFWFLSA-N 1 2 348.834 2.471 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001046338103 1234680385 /nfs/dbraw/zinc/68/03/85/1234680385.db2.gz PQKPJZYBFCJIOY-QGZVFWFLSA-N 1 2 348.834 2.471 20 30 EEEDLO Cc1nocc1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046589383 1234969280 /nfs/dbraw/zinc/96/92/80/1234969280.db2.gz BNCNKVIWYJRZFO-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nocc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046589383 1234969284 /nfs/dbraw/zinc/96/92/84/1234969284.db2.gz BNCNKVIWYJRZFO-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001046872363 1235269432 /nfs/dbraw/zinc/26/94/32/1235269432.db2.gz DGSDAXKQALYTRD-QGZVFWFLSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001046872363 1235269435 /nfs/dbraw/zinc/26/94/35/1235269435.db2.gz DGSDAXKQALYTRD-QGZVFWFLSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCCO2)C1 ZINC001046926769 1235314935 /nfs/dbraw/zinc/31/49/35/1235314935.db2.gz CKZIDRYNBDURIP-QWHCGFSZSA-N 1 2 336.810 2.381 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCCO2)C1 ZINC001046926769 1235314937 /nfs/dbraw/zinc/31/49/37/1235314937.db2.gz CKZIDRYNBDURIP-QWHCGFSZSA-N 1 2 336.810 2.381 20 30 EEEDLO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001046949706 1235345105 /nfs/dbraw/zinc/34/51/05/1235345105.db2.gz ARSVMBHEKUVTAV-GFCCVEGCSA-N 1 2 338.402 2.162 20 30 EEEDLO C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001046949706 1235345108 /nfs/dbraw/zinc/34/51/08/1235345108.db2.gz ARSVMBHEKUVTAV-GFCCVEGCSA-N 1 2 338.402 2.162 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001046973002 1235375515 /nfs/dbraw/zinc/37/55/15/1235375515.db2.gz JGBMZUYFHGNACX-RTXFEEFZSA-N 1 2 336.810 2.237 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001046973002 1235375519 /nfs/dbraw/zinc/37/55/19/1235375519.db2.gz JGBMZUYFHGNACX-RTXFEEFZSA-N 1 2 336.810 2.237 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2nncs2)C3)C1 ZINC001047144367 1235578385 /nfs/dbraw/zinc/57/83/85/1235578385.db2.gz ZGRBIXOVBMMKIQ-MJBXVCDLSA-N 1 2 332.473 2.364 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2nncs2)C3)C1 ZINC001047144367 1235578387 /nfs/dbraw/zinc/57/83/87/1235578387.db2.gz ZGRBIXOVBMMKIQ-MJBXVCDLSA-N 1 2 332.473 2.364 20 30 EEEDLO CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2c[nH+]cn2C)cc1 ZINC000901428173 1235782901 /nfs/dbraw/zinc/78/29/01/1235782901.db2.gz HXWSQGROIGUQSX-DHZHZOJOSA-N 1 2 347.440 2.347 20 30 EEEDLO CCn1c[nH+]cc1/C=C\C(=O)c1ccc(OCC(=O)N(C)C)cc1 ZINC000901435469 1235794068 /nfs/dbraw/zinc/79/40/68/1235794068.db2.gz ATVUAEONLJCLPD-YFHOEESVSA-N 1 2 327.384 2.266 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[C@@H](Nc3cc[nH+]c(C)n3)C2)nc1 ZINC001047349615 1235899988 /nfs/dbraw/zinc/89/99/88/1235899988.db2.gz VFMNTOCDMANJOT-JKSUJKDBSA-N 1 2 335.411 2.172 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001096207435 1236164714 /nfs/dbraw/zinc/16/47/14/1236164714.db2.gz UNDZMTJXZXPFSJ-ZDUSSCGKSA-N 1 2 342.447 2.051 20 30 EEEDLO Cc1nc(N2CC[C@H]([C@@H]3CCCN(C(=O)C#CC4CC4)C3)C2)cc[nH+]1 ZINC001067816438 1249688231 /nfs/dbraw/zinc/68/82/31/1249688231.db2.gz AWCIDEPNYANXTR-MSOLQXFVSA-N 1 2 338.455 2.263 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056406542 1239330471 /nfs/dbraw/zinc/33/04/71/1239330471.db2.gz YANAHFSLQUDXQJ-HOTGVXAUSA-N 1 2 344.459 2.146 20 30 EEEDLO Cc1nc(N[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C2)ccc1C#N ZINC001056733435 1239741541 /nfs/dbraw/zinc/74/15/41/1239741541.db2.gz NCASTUPQXHXJLZ-OAHLLOKOSA-N 1 2 346.394 2.236 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001056767693 1239773408 /nfs/dbraw/zinc/77/34/08/1239773408.db2.gz JMSGCNZIIHXUOH-AUUYWEPGSA-N 1 2 343.475 2.080 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001056767693 1239773418 /nfs/dbraw/zinc/77/34/18/1239773418.db2.gz JMSGCNZIIHXUOH-AUUYWEPGSA-N 1 2 343.475 2.080 20 30 EEEDLO C#CCSCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000903300444 1240204804 /nfs/dbraw/zinc/20/48/04/1240204804.db2.gz IGWMKOWFHZZNEE-UHFFFAOYSA-N 1 2 329.425 2.435 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)[C@H](C)C#N)n1 ZINC001049372692 1240711530 /nfs/dbraw/zinc/71/15/30/1240711530.db2.gz NCSICRDLQHKUPG-DJIMGWMZSA-N 1 2 329.448 2.189 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)[C@H](C)C#N)n1 ZINC001049372692 1240711536 /nfs/dbraw/zinc/71/15/36/1240711536.db2.gz NCSICRDLQHKUPG-DJIMGWMZSA-N 1 2 329.448 2.189 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncc(C2CC2)o1 ZINC001049380341 1240738924 /nfs/dbraw/zinc/73/89/24/1240738924.db2.gz DFHVAXDMRKSSGK-BPLDGKMQSA-N 1 2 328.416 2.277 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ncc(C2CC2)o1 ZINC001049380341 1240738929 /nfs/dbraw/zinc/73/89/29/1240738929.db2.gz DFHVAXDMRKSSGK-BPLDGKMQSA-N 1 2 328.416 2.277 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cnc3nccnc3c2)CC1 ZINC001000784879 1240933732 /nfs/dbraw/zinc/93/37/32/1240933732.db2.gz LKKCOECZAQEIRM-UHFFFAOYSA-N 1 2 343.818 2.139 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cnc3nccnc3c2)CC1 ZINC001000784879 1240933744 /nfs/dbraw/zinc/93/37/44/1240933744.db2.gz LKKCOECZAQEIRM-UHFFFAOYSA-N 1 2 343.818 2.139 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)c2cc(F)c[nH]2)CC1 ZINC001000960715 1241316548 /nfs/dbraw/zinc/31/65/48/1241316548.db2.gz INTABJXVLOIMCW-UHFFFAOYSA-N 1 2 342.212 2.424 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)c2cc(F)c[nH]2)CC1 ZINC001000960715 1241316559 /nfs/dbraw/zinc/31/65/59/1241316559.db2.gz INTABJXVLOIMCW-UHFFFAOYSA-N 1 2 342.212 2.424 20 30 EEEDLO C=C[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)o2)C1)c1ccccc1 ZINC001000977514 1241360889 /nfs/dbraw/zinc/36/08/89/1241360889.db2.gz FVWUIALAIFCYMG-SJORKVTESA-N 1 2 340.427 2.428 20 30 EEEDLO C#Cc1ccc(C(=O)NCC2=CC[N@H+](Cc3nccn3CC)CC2)cc1 ZINC001001029218 1241477710 /nfs/dbraw/zinc/47/77/10/1241477710.db2.gz KLRCSJZZJGECBW-UHFFFAOYSA-N 1 2 348.450 2.446 20 30 EEEDLO C#Cc1ccc(C(=O)NCC2=CC[N@@H+](Cc3nccn3CC)CC2)cc1 ZINC001001029218 1241477720 /nfs/dbraw/zinc/47/77/20/1241477720.db2.gz KLRCSJZZJGECBW-UHFFFAOYSA-N 1 2 348.450 2.446 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cnn(CC)n1 ZINC001049635966 1241719897 /nfs/dbraw/zinc/71/98/97/1241719897.db2.gz XKCFPKKLHINVTQ-IAGOWNOFSA-N 1 2 345.491 2.466 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnn(CC)n1 ZINC001049635966 1241719910 /nfs/dbraw/zinc/71/99/10/1241719910.db2.gz XKCFPKKLHINVTQ-IAGOWNOFSA-N 1 2 345.491 2.466 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2nccn2C)C1 ZINC001049710903 1241952927 /nfs/dbraw/zinc/95/29/27/1241952927.db2.gz ZEFYAAPZHIAESE-JKSUJKDBSA-N 1 2 328.460 2.342 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2nccn2C)C1 ZINC001049710903 1241952933 /nfs/dbraw/zinc/95/29/33/1241952933.db2.gz ZEFYAAPZHIAESE-JKSUJKDBSA-N 1 2 328.460 2.342 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cscn1 ZINC001049733633 1242032702 /nfs/dbraw/zinc/03/27/02/1242032702.db2.gz ZDMXVIBKDUGZTI-TWMKSMIVSA-N 1 2 347.484 2.300 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cscn1 ZINC001049733633 1242032711 /nfs/dbraw/zinc/03/27/11/1242032711.db2.gz ZDMXVIBKDUGZTI-TWMKSMIVSA-N 1 2 347.484 2.300 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@H]3C[N@H+](Cc4cnon4)C[C@H]32)CC1 ZINC001050130985 1242943566 /nfs/dbraw/zinc/94/35/66/1242943566.db2.gz NNANCPZXPUPVFC-DOTOQJQBSA-N 1 2 330.432 2.239 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@H]3C[N@@H+](Cc4cnon4)C[C@H]32)CC1 ZINC001050130985 1242943573 /nfs/dbraw/zinc/94/35/73/1242943573.db2.gz NNANCPZXPUPVFC-DOTOQJQBSA-N 1 2 330.432 2.239 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001050258894 1243199650 /nfs/dbraw/zinc/19/96/50/1243199650.db2.gz FCPJSNRZKZBJOC-KGLIPLIRSA-N 1 2 340.427 2.496 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001096781443 1243252672 /nfs/dbraw/zinc/25/26/72/1243252672.db2.gz RFMOLJWJZNBYEL-CQSZACIVSA-N 1 2 346.479 2.155 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)[nH]n1 ZINC001096848062 1243363294 /nfs/dbraw/zinc/36/32/94/1243363294.db2.gz VQPSFKHANYGVRV-XFJVYGCCSA-N 1 2 341.440 2.187 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)[nH]n1 ZINC001096848062 1243363296 /nfs/dbraw/zinc/36/32/96/1243363296.db2.gz VQPSFKHANYGVRV-XFJVYGCCSA-N 1 2 341.440 2.187 20 30 EEEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1scnc1C(F)(F)F)C2 ZINC001097242807 1243869141 /nfs/dbraw/zinc/86/91/41/1243869141.db2.gz RQGMCBAWKADLLR-BBBLOLIVSA-N 1 2 329.347 2.130 20 30 EEEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1scnc1C(F)(F)F)C2 ZINC001097242807 1243869147 /nfs/dbraw/zinc/86/91/47/1243869147.db2.gz RQGMCBAWKADLLR-BBBLOLIVSA-N 1 2 329.347 2.130 20 30 EEEDLO Cc1nc(NCC2CCN(C(=O)[C@@H](C)C#N)CC2)c2c([nH+]1)CCCC2 ZINC001057479538 1243921343 /nfs/dbraw/zinc/92/13/43/1243921343.db2.gz SSIRYKXKYYXODJ-ZDUSSCGKSA-N 1 2 341.459 2.474 20 30 EEEDLO Cc1nc(N2CCCC[C@@H]2CNC(=O)[C@@H](C)C#N)c2c([nH+]1)CCCC2 ZINC001097402001 1244107417 /nfs/dbraw/zinc/10/74/17/1244107417.db2.gz WGGYVTUXUIPUEL-DZGCQCFKSA-N 1 2 341.459 2.299 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001050892006 1244562198 /nfs/dbraw/zinc/56/21/98/1244562198.db2.gz NCMVYBGBVQUTQJ-DLBZAZTESA-N 1 2 346.475 2.373 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(CC(C)C)c1CC ZINC001050914685 1244615115 /nfs/dbraw/zinc/61/51/15/1244615115.db2.gz OUYWTHNYXLJEBG-MRXNPFEDSA-N 1 2 348.491 2.108 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(CC(C)C)c1CC ZINC001050914685 1244615128 /nfs/dbraw/zinc/61/51/28/1244615128.db2.gz OUYWTHNYXLJEBG-MRXNPFEDSA-N 1 2 348.491 2.108 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1coc2c1cccc2OC ZINC001050918470 1244623832 /nfs/dbraw/zinc/62/38/32/1244623832.db2.gz VOWYOZLRDPFNRB-CQSZACIVSA-N 1 2 344.411 2.448 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1coc2c1cccc2OC ZINC001050918470 1244623834 /nfs/dbraw/zinc/62/38/34/1244623834.db2.gz VOWYOZLRDPFNRB-CQSZACIVSA-N 1 2 344.411 2.448 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3nc(CC)no3)CC2)C1 ZINC001052693791 1244768579 /nfs/dbraw/zinc/76/85/79/1244768579.db2.gz ZEJDHRQUTONJGD-AWEZNQCLSA-N 1 2 332.448 2.459 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3nc(CC)no3)CC2)C1 ZINC001052693791 1244768584 /nfs/dbraw/zinc/76/85/84/1244768584.db2.gz ZEJDHRQUTONJGD-AWEZNQCLSA-N 1 2 332.448 2.459 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC001051020586 1244860980 /nfs/dbraw/zinc/86/09/80/1244860980.db2.gz ADGWPVSETIDKHX-AWEZNQCLSA-N 1 2 335.448 2.369 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC001051020586 1244860994 /nfs/dbraw/zinc/86/09/94/1244860994.db2.gz ADGWPVSETIDKHX-AWEZNQCLSA-N 1 2 335.448 2.369 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1noc2c1CC(C)(C)CC2 ZINC001051044319 1244900711 /nfs/dbraw/zinc/90/07/11/1244900711.db2.gz OKBGAVHTHIVVGG-AWEZNQCLSA-N 1 2 347.459 2.196 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1noc2c1CC(C)(C)CC2 ZINC001051044319 1244900722 /nfs/dbraw/zinc/90/07/22/1244900722.db2.gz OKBGAVHTHIVVGG-AWEZNQCLSA-N 1 2 347.459 2.196 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc2ccsc2c1 ZINC001051062685 1244927947 /nfs/dbraw/zinc/92/79/47/1244927947.db2.gz YTEVVABQZSCSEJ-AWEZNQCLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc2ccsc2c1 ZINC001051062685 1244927958 /nfs/dbraw/zinc/92/79/58/1244927958.db2.gz YTEVVABQZSCSEJ-AWEZNQCLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(CC2CCCC2)c1 ZINC001051182156 1245097785 /nfs/dbraw/zinc/09/77/85/1245097785.db2.gz BGCBXVUMFPIDAG-GOSISDBHSA-N 1 2 346.475 2.080 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(CC2CCCC2)c1 ZINC001051182156 1245097804 /nfs/dbraw/zinc/09/78/04/1245097804.db2.gz BGCBXVUMFPIDAG-GOSISDBHSA-N 1 2 346.475 2.080 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C(F)(F)F)ccn1 ZINC001051193600 1245371830 /nfs/dbraw/zinc/37/18/30/1245371830.db2.gz JAFQEYZBVPDGER-ZDUSSCGKSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C(F)(F)F)ccn1 ZINC001051193600 1245371837 /nfs/dbraw/zinc/37/18/37/1245371837.db2.gz JAFQEYZBVPDGER-ZDUSSCGKSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)C1CCC(C(F)F)CC1 ZINC001051228533 1245415758 /nfs/dbraw/zinc/41/57/58/1245415758.db2.gz JQVYVARPGCNDRV-NRXISQOPSA-N 1 2 330.419 2.451 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CCC(C(F)F)CC1 ZINC001051228533 1245415763 /nfs/dbraw/zinc/41/57/63/1245415763.db2.gz JQVYVARPGCNDRV-NRXISQOPSA-N 1 2 330.419 2.451 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001051313862 1245527012 /nfs/dbraw/zinc/52/70/12/1245527012.db2.gz GEEYRBUKJQVOMS-HIFRSBDPSA-N 1 2 346.475 2.216 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@@]2(C)C1 ZINC001101234012 1245550497 /nfs/dbraw/zinc/55/04/97/1245550497.db2.gz XBERKVRPULJPBC-LCJPTQFJSA-N 1 2 345.270 2.124 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@@]2(C)C1 ZINC001101234012 1245550501 /nfs/dbraw/zinc/55/05/01/1245550501.db2.gz XBERKVRPULJPBC-LCJPTQFJSA-N 1 2 345.270 2.124 20 30 EEEDLO C=CCCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001051333003 1245564077 /nfs/dbraw/zinc/56/40/77/1245564077.db2.gz WCBDQVWWXUBHHL-HZPDHXFCSA-N 1 2 346.475 2.062 20 30 EEEDLO CCCN(CCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccncc1C#N ZINC001101263346 1245589205 /nfs/dbraw/zinc/58/92/05/1245589205.db2.gz VLDHTCMHDVQKOP-UHFFFAOYSA-N 1 2 348.410 2.476 20 30 EEEDLO C=CCCC(=O)N(C)CCNc1[nH+]c(C)nc(-n2cccn2)c1C ZINC001101542364 1245944649 /nfs/dbraw/zinc/94/46/49/1245944649.db2.gz ODWYHMNJJBIYKE-UHFFFAOYSA-N 1 2 328.420 2.116 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1CC2(C[NH+](C[C@H](F)CC)C2)n2ccnc21 ZINC001101624493 1246057474 /nfs/dbraw/zinc/05/74/74/1246057474.db2.gz WRGTVXVICYHVPA-CVEARBPZSA-N 1 2 346.450 2.397 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)Cc1ccco1)c1nccn12 ZINC001101647614 1246077560 /nfs/dbraw/zinc/07/75/60/1246077560.db2.gz FUWFJCKVHQNYHU-HOCLYGCPSA-N 1 2 340.427 2.113 20 30 EEEDLO CN(CCNc1ncc(C#N)cc1Cl)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001101695236 1246136381 /nfs/dbraw/zinc/13/63/81/1246136381.db2.gz VEMKRBPAEWRJGA-UHFFFAOYSA-N 1 2 346.822 2.178 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)CCNc2cc(C)[nH+]c(C3CC3)n2)cn1 ZINC001101709194 1246156455 /nfs/dbraw/zinc/15/64/55/1246156455.db2.gz VCWNDVVKKZIKIW-UHFFFAOYSA-N 1 2 335.411 2.223 20 30 EEEDLO CN(CCNc1ncccc1C#N)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001101758947 1246177275 /nfs/dbraw/zinc/17/72/75/1246177275.db2.gz UVXODODXNNTZHD-UHFFFAOYSA-N 1 2 346.394 2.323 20 30 EEEDLO C#CCCCCC(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2noc(C)n2)C[C@H]1C ZINC001101893771 1246240771 /nfs/dbraw/zinc/24/07/71/1246240771.db2.gz QYDCCMRMYLAFGY-IJEWVQPXSA-N 1 2 332.448 2.317 20 30 EEEDLO C#CCCCCC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2noc(C)n2)C[C@H]1C ZINC001101893771 1246240778 /nfs/dbraw/zinc/24/07/78/1246240778.db2.gz QYDCCMRMYLAFGY-IJEWVQPXSA-N 1 2 332.448 2.317 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc3ccccc3n1C)CCO2 ZINC001053393287 1246276320 /nfs/dbraw/zinc/27/63/20/1246276320.db2.gz JFZNUANFXMMFGB-UHFFFAOYSA-N 1 2 339.439 2.281 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1c(F)cc(F)cc1F)CCO2 ZINC001053398745 1246284360 /nfs/dbraw/zinc/28/43/60/1246284360.db2.gz RUHZNLYVGWASSJ-UHFFFAOYSA-N 1 2 340.345 2.207 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC=CCC3)C2)CC1 ZINC001051980707 1246339154 /nfs/dbraw/zinc/33/91/54/1246339154.db2.gz JBNVPDSUJCWSMW-IRXDYDNUSA-N 1 2 337.895 2.314 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)C2)CC1 ZINC001052031374 1246396899 /nfs/dbraw/zinc/39/68/99/1246396899.db2.gz LYSBZEIZCBOYTI-IPMKNSEASA-N 1 2 345.531 2.301 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)c3ccsc3)C2)CC1 ZINC001052080926 1246458841 /nfs/dbraw/zinc/45/88/41/1246458841.db2.gz IAAFJRKJXXAGRC-FUHWJXTLSA-N 1 2 345.512 2.093 20 30 EEEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)C3CCCC3)C2)CC1 ZINC001052106923 1246486311 /nfs/dbraw/zinc/48/63/11/1246486311.db2.gz WWIMPQTYWSDOQQ-MJGOQNOKSA-N 1 2 331.504 2.055 20 30 EEEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)C3(C4CCCCC4)CC3)C2)CC1 ZINC001052113329 1246495366 /nfs/dbraw/zinc/49/53/66/1246495366.db2.gz RRAMYXYRCAJMJQ-GOSISDBHSA-N 1 2 344.503 2.089 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C)c(CC)s3)C2)CC1 ZINC001052114438 1246496675 /nfs/dbraw/zinc/49/66/75/1246496675.db2.gz KMINYMZEZRACIR-MRXNPFEDSA-N 1 2 345.512 2.084 20 30 EEEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C)c(CC)s3)C2)CC1 ZINC001052114438 1246496679 /nfs/dbraw/zinc/49/66/79/1246496679.db2.gz KMINYMZEZRACIR-MRXNPFEDSA-N 1 2 345.512 2.084 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)O2 ZINC001053602849 1246517011 /nfs/dbraw/zinc/51/70/11/1246517011.db2.gz MUMYZRRSPLMUOY-FGTMMUONSA-N 1 2 341.455 2.111 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ncc(Cl)s1)O2 ZINC001053631406 1246561698 /nfs/dbraw/zinc/56/16/98/1246561698.db2.gz WNEWUMUEJHYUQW-NSHDSACASA-N 1 2 341.864 2.336 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3cc(F)ccc3[nH]1)O2 ZINC001053635346 1246566750 /nfs/dbraw/zinc/56/67/50/1246566750.db2.gz AREOOGVGYYOBND-HNNXBMFYSA-N 1 2 343.402 2.456 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cncc(OC(C)C)c1)O2 ZINC001053636011 1246568553 /nfs/dbraw/zinc/56/85/53/1246568553.db2.gz SQKOQRVJPMZQLJ-MRXNPFEDSA-N 1 2 345.443 2.018 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C13CC(C(F)(F)F)(C1)C3)O2 ZINC001053701391 1246678279 /nfs/dbraw/zinc/67/82/79/1246678279.db2.gz UOIZEVZHKKQSFO-LRVUVFPRSA-N 1 2 344.377 2.255 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3ccc(C)cc3[nH]1)CO2 ZINC001053884833 1246964514 /nfs/dbraw/zinc/96/45/14/1246964514.db2.gz WANORJYPNGILRO-INIZCTEOSA-N 1 2 337.423 2.073 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(F)c(Cl)c1)CO2 ZINC001053908855 1246998062 /nfs/dbraw/zinc/99/80/62/1246998062.db2.gz BZHXJAMZWRBAAM-ZDUSSCGKSA-N 1 2 336.794 2.076 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C)c(F)c1F)CO2 ZINC001053935704 1247031913 /nfs/dbraw/zinc/03/19/13/1247031913.db2.gz VSEYFZHEVGJVOH-ZDUSSCGKSA-N 1 2 336.382 2.422 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1oc(C3CC3)nc1C)CO2 ZINC001053951280 1247057126 /nfs/dbraw/zinc/05/71/26/1247057126.db2.gz TVFNHJQNMWRQAO-CQSZACIVSA-N 1 2 331.416 2.010 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc3[nH]c(C)nc31)CO2 ZINC001053973759 1247090694 /nfs/dbraw/zinc/09/06/94/1247090694.db2.gz WDLMOHDFQKPNBS-AWEZNQCLSA-N 1 2 340.427 2.021 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3cccc(C)c3o1)CO2 ZINC001054018025 1247155457 /nfs/dbraw/zinc/15/54/57/1247155457.db2.gz SEKCXAJJOLZJFX-MRXNPFEDSA-N 1 2 338.407 2.338 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(CC)c(CC)c1)CO2 ZINC001054027145 1247168931 /nfs/dbraw/zinc/16/89/31/1247168931.db2.gz KOOJPICVSDMQLS-LJQANCHMSA-N 1 2 340.467 2.408 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccnn1CC ZINC001054039683 1247198039 /nfs/dbraw/zinc/19/80/39/1247198039.db2.gz FYUAWFKERRDZQE-GOSISDBHSA-N 1 2 336.439 2.083 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccnn1CC ZINC001054039683 1247198042 /nfs/dbraw/zinc/19/80/42/1247198042.db2.gz FYUAWFKERRDZQE-GOSISDBHSA-N 1 2 336.439 2.083 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001054056586 1247255721 /nfs/dbraw/zinc/25/57/21/1247255721.db2.gz LWZZUDXBPQUDQV-UFYCRDLUSA-N 1 2 338.451 2.144 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001054056586 1247255729 /nfs/dbraw/zinc/25/57/29/1247255729.db2.gz LWZZUDXBPQUDQV-UFYCRDLUSA-N 1 2 338.451 2.144 20 30 EEEDLO Cc1nsc(N[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C)c1C#N ZINC001068829707 1251751281 /nfs/dbraw/zinc/75/12/81/1251751281.db2.gz OYWCDMJZYWMZCV-WCQYABFASA-N 1 2 344.444 2.080 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1323306114 /nfs/dbraw/zinc/30/61/14/1323306114.db2.gz CDWHPDYFBOSXDI-CRAIPNDOSA-N 1 2 341.455 2.089 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2c(F)cccc2F)C[C@H]1NC(=O)CSCC#N ZINC001206090373 1323391074 /nfs/dbraw/zinc/39/10/74/1323391074.db2.gz RAKIYFVTXUWWKG-IAQYHMDHSA-N 1 2 339.411 2.158 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2c(F)cccc2F)C[C@H]1NC(=O)CSCC#N ZINC001206090373 1323391078 /nfs/dbraw/zinc/39/10/78/1323391078.db2.gz RAKIYFVTXUWWKG-IAQYHMDHSA-N 1 2 339.411 2.158 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)OCC)C1 ZINC001206377766 1323473445 /nfs/dbraw/zinc/47/34/45/1323473445.db2.gz CQPFGEICVZASLT-RAIGVLPGSA-N 1 2 333.270 2.147 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)OCC)C1 ZINC001206377766 1323473451 /nfs/dbraw/zinc/47/34/51/1323473451.db2.gz CQPFGEICVZASLT-RAIGVLPGSA-N 1 2 333.270 2.147 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001206489907 1323510947 /nfs/dbraw/zinc/51/09/47/1323510947.db2.gz BSSURLBRQUMNNR-NVXWUHKLSA-N 1 2 329.444 2.336 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001206489907 1323510951 /nfs/dbraw/zinc/51/09/51/1323510951.db2.gz BSSURLBRQUMNNR-NVXWUHKLSA-N 1 2 329.444 2.336 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCC[N@H+](Cc2cnc(C)cn2)C1 ZINC001266230728 1323809895 /nfs/dbraw/zinc/80/98/95/1323809895.db2.gz RIPAQRLAUZSHJY-VQIMIIECSA-N 1 2 346.475 2.094 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001266230728 1323809903 /nfs/dbraw/zinc/80/99/03/1323809903.db2.gz RIPAQRLAUZSHJY-VQIMIIECSA-N 1 2 346.475 2.094 20 30 EEEDLO Cn1cc(C[N@H+]2Cc3nccn3C[C@H](COCC3CC3)C2)cc1C#N ZINC001207104939 1323850573 /nfs/dbraw/zinc/85/05/73/1323850573.db2.gz LIUPBENGLJGCNI-QGZVFWFLSA-N 1 2 339.443 2.152 20 30 EEEDLO Cn1cc(C[N@@H+]2Cc3nccn3C[C@H](COCC3CC3)C2)cc1C#N ZINC001207104939 1323850577 /nfs/dbraw/zinc/85/05/77/1323850577.db2.gz LIUPBENGLJGCNI-QGZVFWFLSA-N 1 2 339.443 2.152 20 30 EEEDLO Cn1cc(C[N@@H+]2CC[C@](F)(CNC(=O)OC(C)(C)C)C2)cc1C#N 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KGBJYNZJIQVLGP-SQWLQELKSA-N 1 2 347.459 2.286 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2noc3c2COCC3)C[C@H]1C ZINC001208512103 1324537011 /nfs/dbraw/zinc/53/70/11/1324537011.db2.gz WOANKUIWSPUVTP-MUKKUYKPSA-N 1 2 347.459 2.286 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2noc3c2COCC3)C[C@H]1C ZINC001208512103 1324537015 /nfs/dbraw/zinc/53/70/15/1324537015.db2.gz WOANKUIWSPUVTP-MUKKUYKPSA-N 1 2 347.459 2.286 20 30 EEEDLO Cn1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccns2)cc1C#N ZINC001276591250 1324666863 /nfs/dbraw/zinc/66/68/63/1324666863.db2.gz FLWWXLMYIYPUBV-GASCZTMLSA-N 1 2 327.457 2.202 20 30 EEEDLO Cn1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccns2)cc1C#N ZINC001276591250 1324666866 /nfs/dbraw/zinc/66/68/66/1324666866.db2.gz FLWWXLMYIYPUBV-GASCZTMLSA-N 1 2 327.457 2.202 20 30 EEEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1CC(C)(C)C(=O)CC ZINC001208915132 1324717342 /nfs/dbraw/zinc/71/73/42/1324717342.db2.gz DKWBUGMPRYZFFQ-HNNXBMFYSA-N 1 2 334.464 2.405 20 30 EEEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1CC(C)(C)C(=O)CC ZINC001208915132 1324717348 /nfs/dbraw/zinc/71/73/48/1324717348.db2.gz DKWBUGMPRYZFFQ-HNNXBMFYSA-N 1 2 334.464 2.405 20 30 EEEDLO CC#CCCCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nc(CC)no2)C1 ZINC001209110621 1324802809 /nfs/dbraw/zinc/80/28/09/1324802809.db2.gz CGUYQYYYQBUVGW-HUUCEWRRSA-N 1 2 332.448 2.467 20 30 EEEDLO N#CCCn1cc(C[NH2+]Cc2csnn2)c(-c2ccncc2)n1 ZINC001329733114 1334704812 /nfs/dbraw/zinc/70/48/12/1334704812.db2.gz QHKCFWDEUBOWBA-UHFFFAOYSA-N 1 2 325.401 2.000 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)C[NH2+]Cc2ncc(C)o2)c(OC)c1 ZINC001336765777 1336592100 /nfs/dbraw/zinc/59/21/00/1336592100.db2.gz SAYASAGYTVOGHO-OAHLLOKOSA-N 1 2 332.400 2.250 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)CC(C)C ZINC001338691288 1336894557 /nfs/dbraw/zinc/89/45/57/1336894557.db2.gz SRGMZPCKSWGOOA-CVEARBPZSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)CC(C)C ZINC001338691288 1336894559 /nfs/dbraw/zinc/89/45/59/1336894559.db2.gz SRGMZPCKSWGOOA-CVEARBPZSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](COCC)C1 ZINC001340389044 1337174536 /nfs/dbraw/zinc/17/45/36/1337174536.db2.gz AKAOQFHHYPIQCR-CVEARBPZSA-N 1 2 333.480 2.484 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](COCC)C1 ZINC001340389044 1337174538 /nfs/dbraw/zinc/17/45/38/1337174538.db2.gz AKAOQFHHYPIQCR-CVEARBPZSA-N 1 2 333.480 2.484 20 30 EEEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1cccc(NS(C)(=O)=O)c1 ZINC001342255368 1337312069 /nfs/dbraw/zinc/31/20/69/1337312069.db2.gz QESBJYZLCPRCBU-MDZDMXLPSA-N 1 2 345.424 2.415 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001351616913 1337832171 /nfs/dbraw/zinc/83/21/71/1337832171.db2.gz UQFKDBGVMRANFM-IKGGRYGDSA-N 1 2 345.491 2.484 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001351616913 1337832176 /nfs/dbraw/zinc/83/21/76/1337832176.db2.gz UQFKDBGVMRANFM-IKGGRYGDSA-N 1 2 345.491 2.484 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2cc(C3CC3)no2)C[C@H]1O ZINC001100019821 1337936058 /nfs/dbraw/zinc/93/60/58/1337936058.db2.gz IHSSBEZUCROPGY-DOTOQJQBSA-N 1 2 347.459 2.206 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1O ZINC001100019821 1337936062 /nfs/dbraw/zinc/93/60/62/1337936062.db2.gz IHSSBEZUCROPGY-DOTOQJQBSA-N 1 2 347.459 2.206 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CC[N@@H+](CC(=C)Cl)C[C@H]2O)CCCCC1 ZINC001100137454 1338058353 /nfs/dbraw/zinc/05/83/53/1338058353.db2.gz ZZQBIMFRIIRRHJ-JKSUJKDBSA-N 1 2 338.879 2.264 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CC[N@H+](CC(=C)Cl)C[C@H]2O)CCCCC1 ZINC001100137454 1338058356 /nfs/dbraw/zinc/05/83/56/1338058356.db2.gz ZZQBIMFRIIRRHJ-JKSUJKDBSA-N 1 2 338.879 2.264 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3C[C@H]3Cc3ccccc3)n2CC)CC1 ZINC001356319659 1338814461 /nfs/dbraw/zinc/81/44/61/1338814461.db2.gz FDBMHLLBLAKSTA-RTBURBONSA-N 1 2 349.482 2.399 20 30 EEEDLO N#Cc1cccc([C@H](O)CN2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC001434462153 1341849257 /nfs/dbraw/zinc/84/92/57/1341849257.db2.gz VMNQCKYIQZUXKE-HXUWFJFHSA-N 1 2 337.423 2.115 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccn(CC(F)(F)F)n1 ZINC001392667930 1390143532 /nfs/dbraw/zinc/14/35/32/1390143532.db2.gz RMQNGILPURSFPQ-JTQLQIEISA-N 1 2 338.761 2.248 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccn(CC(F)(F)F)n1 ZINC001392667930 1390143536 /nfs/dbraw/zinc/14/35/36/1390143536.db2.gz RMQNGILPURSFPQ-JTQLQIEISA-N 1 2 338.761 2.248 20 30 EEEDLO C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]21 ZINC001187472224 1368244954 /nfs/dbraw/zinc/24/49/54/1368244954.db2.gz CZTDBOMDWQVWEE-DOTOQJQBSA-N 1 2 349.500 2.467 20 30 EEEDLO C=CCOCCCC(=O)N1CC[C@H]2C[N@H+](Cc3csc(C)n3)C[C@H]21 ZINC001187472224 1368244961 /nfs/dbraw/zinc/24/49/61/1368244961.db2.gz CZTDBOMDWQVWEE-DOTOQJQBSA-N 1 2 349.500 2.467 20 30 EEEDLO N#CCc1cccc(C(=O)N2CC[NH+](CCc3ccccn3)CC2)c1 ZINC001188676981 1368310777 /nfs/dbraw/zinc/31/07/77/1368310777.db2.gz XPWLSWWMEPHTSA-UHFFFAOYSA-N 1 2 334.423 2.148 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C)cn3)C[C@H]21 ZINC001188909696 1368329682 /nfs/dbraw/zinc/32/96/82/1368329682.db2.gz WWAIDWOAXPDDRR-YESZJQIVSA-N 1 2 328.460 2.420 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C)cn3)C[C@H]21 ZINC001188909696 1368329687 /nfs/dbraw/zinc/32/96/87/1368329687.db2.gz WWAIDWOAXPDDRR-YESZJQIVSA-N 1 2 328.460 2.420 20 30 EEEDLO C=CCCC(=O)N1CCC[N@@H+](CC(=O)N(C)Cc2ccc(C)o2)CC1 ZINC001195233520 1368507141 /nfs/dbraw/zinc/50/71/41/1368507141.db2.gz VZJNZBKONOVKPN-UHFFFAOYSA-N 1 2 347.459 2.047 20 30 EEEDLO C=CCCC(=O)N1CCC[N@H+](CC(=O)N(C)Cc2ccc(C)o2)CC1 ZINC001195233520 1368507143 /nfs/dbraw/zinc/50/71/43/1368507143.db2.gz VZJNZBKONOVKPN-UHFFFAOYSA-N 1 2 347.459 2.047 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3c(C)nsc3C)C[C@H]2O)CCC1 ZINC001195897188 1368574099 /nfs/dbraw/zinc/57/40/99/1368574099.db2.gz SQOFRYZWDNOADR-HZPDHXFCSA-N 1 2 349.500 2.168 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3c(C)nsc3C)C[C@H]2O)CCC1 ZINC001195897188 1368574102 /nfs/dbraw/zinc/57/41/02/1368574102.db2.gz SQOFRYZWDNOADR-HZPDHXFCSA-N 1 2 349.500 2.168 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)C2CCCCC2)CC1 ZINC001197379944 1368616278 /nfs/dbraw/zinc/61/62/78/1368616278.db2.gz UBRNCOTVEWMFEX-UHFFFAOYSA-N 1 2 349.519 2.429 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)C2CCCCC2)CC1 ZINC001197379944 1368616282 /nfs/dbraw/zinc/61/62/82/1368616282.db2.gz UBRNCOTVEWMFEX-UHFFFAOYSA-N 1 2 349.519 2.429 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C[C@H]1C ZINC001110525820 1368660448 /nfs/dbraw/zinc/66/04/48/1368660448.db2.gz SWIJSBFVGOKAAD-HIFRSBDPSA-N 1 2 346.479 2.394 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCc2nc(CC(C)C)no2)cc1OC ZINC000112969564 1369385930 /nfs/dbraw/zinc/38/59/30/1369385930.db2.gz KLZPYHVMHOQXSR-UHFFFAOYSA-N 1 2 348.403 2.317 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)CCc2ccon2)C1 ZINC001389377358 1388085575 /nfs/dbraw/zinc/08/55/75/1388085575.db2.gz KLPDYODNTFUFED-SFHVURJKSA-N 1 2 338.411 2.260 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)CCc2ccon2)C1 ZINC001389377358 1388085583 /nfs/dbraw/zinc/08/55/83/1388085583.db2.gz KLPDYODNTFUFED-SFHVURJKSA-N 1 2 338.411 2.260 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001072454454 1370707878 /nfs/dbraw/zinc/70/78/78/1370707878.db2.gz XSEXZVVWWDKRIU-DOTOQJQBSA-N 1 2 344.459 2.005 20 30 EEEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CCCN(C(=O)C4CC4)CC3)n2)cc1 ZINC000780473549 1371162215 /nfs/dbraw/zinc/16/22/15/1371162215.db2.gz QSRPVLQFSLAVJJ-UHFFFAOYSA-N 1 2 349.438 2.324 20 30 EEEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CCCN(C(=O)C4CC4)CC3)n2)cc1 ZINC000780473549 1371162219 /nfs/dbraw/zinc/16/22/19/1371162219.db2.gz QSRPVLQFSLAVJJ-UHFFFAOYSA-N 1 2 349.438 2.324 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnon1)C2 ZINC001111759712 1371246792 /nfs/dbraw/zinc/24/67/92/1371246792.db2.gz FEKMSNKYMHEQBT-YJBOKZPZSA-N 1 2 330.432 2.309 20 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ZINC001122629079 1372066319 /nfs/dbraw/zinc/06/63/19/1372066319.db2.gz GMZWOAPBPCXKCN-OAHLLOKOSA-N 1 2 339.459 2.432 20 30 EEEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)CCCF ZINC001122629079 1372066323 /nfs/dbraw/zinc/06/63/23/1372066323.db2.gz GMZWOAPBPCXKCN-OAHLLOKOSA-N 1 2 339.459 2.432 20 30 EEEDLO C[C@@H]1C[C@@H](Nc2ccc(C#N)nc2)CN1C(=O)CCCn1cc[nH+]c1 ZINC001123243374 1372112649 /nfs/dbraw/zinc/11/26/49/1372112649.db2.gz OBUSALCCKMCABU-RHSMWYFYSA-N 1 2 338.415 2.031 20 30 EEEDLO COC(=O)[C@@H]1COCCC12C[NH+](Cc1cc(C#N)ccc1Cl)C2 ZINC001140602674 1372613646 /nfs/dbraw/zinc/61/36/46/1372613646.db2.gz NVCWXPYAQZZKLZ-AWEZNQCLSA-N 1 2 334.803 2.223 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1ccn(C)n1 ZINC001343926949 1372961657 /nfs/dbraw/zinc/96/16/57/1372961657.db2.gz CYRLNXBLJJUZJC-INIZCTEOSA-N 1 2 343.479 2.381 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)Cc1ccn(C)n1 ZINC001343926949 1372961665 /nfs/dbraw/zinc/96/16/65/1372961665.db2.gz CYRLNXBLJJUZJC-INIZCTEOSA-N 1 2 343.479 2.381 20 30 EEEDLO C[C@H](C#N)C(=O)NCC[N@H+](C)CC(=O)Nc1ccccc1C(C)(C)C ZINC001366517224 1373931418 /nfs/dbraw/zinc/93/14/18/1373931418.db2.gz DJPAABLMCHKNNW-CQSZACIVSA-N 1 2 344.459 2.130 20 30 EEEDLO C[C@H](C#N)C(=O)NCC[N@@H+](C)CC(=O)Nc1ccccc1C(C)(C)C ZINC001366517224 1373931422 /nfs/dbraw/zinc/93/14/22/1373931422.db2.gz DJPAABLMCHKNNW-CQSZACIVSA-N 1 2 344.459 2.130 20 30 EEEDLO CCCCc1noc([C@H](C)[NH2+]C[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)n1 ZINC001367669263 1374226332 /nfs/dbraw/zinc/22/63/32/1374226332.db2.gz RHKXSPPZUJZNKQ-NEPJUHHUSA-N 1 2 344.419 2.081 20 30 EEEDLO COc1nc(C)ccc1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001372138605 1375801594 /nfs/dbraw/zinc/80/15/94/1375801594.db2.gz BPWQHLTYZKPMBB-UHFFFAOYSA-N 1 2 338.411 2.132 20 30 EEEDLO COc1nc(C)ccc1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001372138605 1375801601 /nfs/dbraw/zinc/80/16/01/1375801601.db2.gz BPWQHLTYZKPMBB-UHFFFAOYSA-N 1 2 338.411 2.132 20 30 EEEDLO CCn1ncc(C(=O)NCC[N@H+](C)Cc2cc(C#N)ccc2F)c1C ZINC001372163497 1375823460 /nfs/dbraw/zinc/82/34/60/1375823460.db2.gz DXOZBDQMNAPGRO-UHFFFAOYSA-N 1 2 343.406 2.084 20 30 EEEDLO CCn1ncc(C(=O)NCC[N@@H+](C)Cc2cc(C#N)ccc2F)c1C ZINC001372163497 1375823462 /nfs/dbraw/zinc/82/34/62/1375823462.db2.gz DXOZBDQMNAPGRO-UHFFFAOYSA-N 1 2 343.406 2.084 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)c1 ZINC001374269313 1376634109 /nfs/dbraw/zinc/63/41/09/1376634109.db2.gz UNCQZJHOYGZEMR-SFHVURJKSA-N 1 2 338.386 2.471 20 30 EEEDLO Cc1nc([C@H](C)[NH2+]C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C)no1 ZINC001380062006 1381031886 /nfs/dbraw/zinc/03/18/86/1381031886.db2.gz OPEALANACALFBF-IINYFYTJSA-N 1 2 344.419 2.073 20 30 EEEDLO C[C@H](C#N)C(=O)NC1(C)CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC001380296938 1381159638 /nfs/dbraw/zinc/15/96/38/1381159638.db2.gz DSINTVWDIYKSLI-NEPJUHHUSA-N 1 2 331.420 2.138 20 30 EEEDLO C[C@H](C#N)C(=O)NCC1(O)C[NH+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC001380579760 1381301056 /nfs/dbraw/zinc/30/10/56/1381301056.db2.gz CMHOWLFVOAGWFE-HUUCEWRRSA-N 1 2 337.423 2.223 20 30 EEEDLO C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[N@H+](C)Cc1cc(O)ccc1Cl ZINC001381501811 1381628358 /nfs/dbraw/zinc/62/83/58/1381628358.db2.gz CNHIGZHCTYTDKZ-LLVKDONJSA-N 1 2 346.818 2.496 20 30 EEEDLO C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[N@@H+](C)Cc1cc(O)ccc1Cl ZINC001381501811 1381628363 /nfs/dbraw/zinc/62/83/63/1381628363.db2.gz CNHIGZHCTYTDKZ-LLVKDONJSA-N 1 2 346.818 2.496 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC12CC[NH+](Cc1ncnn1C(C)(C)C)CC2 ZINC001752423165 1406305069 /nfs/dbraw/zinc/30/50/69/1406305069.db2.gz PCRMGHJRZHHPGM-OAHLLOKOSA-N 1 2 345.491 2.470 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1(NC(C)=O)CCCCC1 ZINC001391055705 1389002634 /nfs/dbraw/zinc/00/26/34/1389002634.db2.gz OMTQMRZJNLYSDT-HNNXBMFYSA-N 1 2 341.883 2.159 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1(NC(C)=O)CCCCC1 ZINC001391055705 1389002638 /nfs/dbraw/zinc/00/26/38/1389002638.db2.gz OMTQMRZJNLYSDT-HNNXBMFYSA-N 1 2 341.883 2.159 20 30 EEEDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N)c(C)c1 ZINC001392264000 1389937274 /nfs/dbraw/zinc/93/72/74/1389937274.db2.gz AOXYYZZALPLKRZ-INIZCTEOSA-N 1 2 344.459 2.100 20 30 EEEDLO Cc1cc(C)c(NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N)c(C)c1 ZINC001392264000 1389937279 /nfs/dbraw/zinc/93/72/79/1389937279.db2.gz AOXYYZZALPLKRZ-INIZCTEOSA-N 1 2 344.459 2.100 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc1nc(Cc2ccccc2)no1 ZINC001752891620 1406520251 /nfs/dbraw/zinc/52/02/51/1406520251.db2.gz NRIDDGNJTWCOOO-CQSZACIVSA-N 1 2 342.443 2.467 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](NC(C)=O)[C@@H](C)CC ZINC001398775657 1394183704 /nfs/dbraw/zinc/18/37/04/1394183704.db2.gz RCQFTOCVNHAIAQ-RCBQFDQVSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](NC(C)=O)[C@@H](C)CC ZINC001398775657 1394183706 /nfs/dbraw/zinc/18/37/06/1394183706.db2.gz RCQFTOCVNHAIAQ-RCBQFDQVSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCCN(CC(F)F)C1 ZINC001399756826 1395487549 /nfs/dbraw/zinc/48/75/49/1395487549.db2.gz YTNLVTOQDIOXMT-CYBMUJFWSA-N 1 2 337.842 2.154 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCCN(CC(F)F)C1 ZINC001399756826 1395487551 /nfs/dbraw/zinc/48/75/51/1395487551.db2.gz YTNLVTOQDIOXMT-CYBMUJFWSA-N 1 2 337.842 2.154 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(F)c(C#N)c1)C(=O)C(F)C(F)(F)F ZINC001401376133 1397205479 /nfs/dbraw/zinc/20/54/79/1397205479.db2.gz OZQUEOZHRBQGKC-ZDUSSCGKSA-N 1 2 349.303 2.488 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(F)c(C#N)c1)C(=O)C(F)C(F)(F)F ZINC001401376133 1397205481 /nfs/dbraw/zinc/20/54/81/1397205481.db2.gz OZQUEOZHRBQGKC-ZDUSSCGKSA-N 1 2 349.303 2.488 20 30 EEEDLO C[C@@H](CC#N)N(C)c1nnc(C2CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001401395466 1397231587 /nfs/dbraw/zinc/23/15/87/1397231587.db2.gz BSRKHHMTLKKONC-ZDUSSCGKSA-N 1 2 339.447 2.403 20 30 EEEDLO Cc1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001401418300 1397262608 /nfs/dbraw/zinc/26/26/08/1397262608.db2.gz UMCMDPYXZJLGFO-GOSISDBHSA-N 1 2 339.447 2.226 20 30 EEEDLO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cc2csc(C3CC3)n2)CCO1 ZINC001755012008 1407032520 /nfs/dbraw/zinc/03/25/20/1407032520.db2.gz GBNJCRDHJACVNM-INIZCTEOSA-N 1 2 349.500 2.346 20 30 EEEDLO C=CCOCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCC13CC3)O2 ZINC001755054192 1407060205 /nfs/dbraw/zinc/06/02/05/1407060205.db2.gz JRDJWWOMPWMPBY-SJORKVTESA-N 1 2 348.487 2.119 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H](F)Cc1ccccc1)O2 ZINC001755056490 1407063099 /nfs/dbraw/zinc/06/30/99/1407063099.db2.gz CXIXXPPOORMXTN-SJORKVTESA-N 1 2 332.419 2.103 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnn(-c2ccccn2)c1 ZINC001422581648 1400046977 /nfs/dbraw/zinc/04/69/77/1400046977.db2.gz VWCPHLCYOATXNK-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnn(-c2ccccn2)c1 ZINC001422581648 1400046982 /nfs/dbraw/zinc/04/69/82/1400046982.db2.gz VWCPHLCYOATXNK-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC1(OC)CCC1 ZINC001755075620 1407085971 /nfs/dbraw/zinc/08/59/71/1407085971.db2.gz KHHVFBPBLZKPQR-SFHVURJKSA-N 1 2 326.440 2.122 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC1(OC)CCC1 ZINC001755075620 1407085977 /nfs/dbraw/zinc/08/59/77/1407085977.db2.gz KHHVFBPBLZKPQR-SFHVURJKSA-N 1 2 326.440 2.122 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnn[nH]1 ZINC001575038333 1403530936 /nfs/dbraw/zinc/53/09/36/1403530936.db2.gz BNBVCUVHEXLGJX-RBVVOMGSSA-N 1 2 331.464 2.266 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnn[nH]1 ZINC001575038333 1403530939 /nfs/dbraw/zinc/53/09/39/1403530939.db2.gz BNBVCUVHEXLGJX-RBVVOMGSSA-N 1 2 331.464 2.266 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]nn1 ZINC001575038333 1403530941 /nfs/dbraw/zinc/53/09/41/1403530941.db2.gz BNBVCUVHEXLGJX-RBVVOMGSSA-N 1 2 331.464 2.266 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]nn1 ZINC001575038333 1403530943 /nfs/dbraw/zinc/53/09/43/1403530943.db2.gz BNBVCUVHEXLGJX-RBVVOMGSSA-N 1 2 331.464 2.266 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]n1 ZINC001575038333 1403530945 /nfs/dbraw/zinc/53/09/45/1403530945.db2.gz BNBVCUVHEXLGJX-RBVVOMGSSA-N 1 2 331.464 2.266 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]n1 ZINC001575038333 1403530948 /nfs/dbraw/zinc/53/09/48/1403530948.db2.gz BNBVCUVHEXLGJX-RBVVOMGSSA-N 1 2 331.464 2.266 20 30 EEEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2ccc(CC)c(CC)c2)C1 ZINC001755344705 1407344989 /nfs/dbraw/zinc/34/49/89/1407344989.db2.gz RGRDZWOMTWGGLB-UHFFFAOYSA-N 1 2 328.456 2.001 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1C[C@]2(C)C[N@H+](Cc3nncn3C)C[C@]2(C)C1 ZINC001755462257 1407496024 /nfs/dbraw/zinc/49/60/24/1407496024.db2.gz SJTCNZMIPKTIHM-LZQZEXGQSA-N 1 2 345.491 2.088 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1C[C@]2(C)C[N@@H+](Cc3nncn3C)C[C@]2(C)C1 ZINC001755462257 1407496030 /nfs/dbraw/zinc/49/60/30/1407496030.db2.gz SJTCNZMIPKTIHM-LZQZEXGQSA-N 1 2 345.491 2.088 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@]3(NC(=O)CSCC#N)CCC[C@@H]23)oc1C ZINC001755696160 1407742826 /nfs/dbraw/zinc/74/28/26/1407742826.db2.gz WRZVUUQWDNFDDB-RHSMWYFYSA-N 1 2 348.472 2.161 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@]3(NC(=O)CSCC#N)CCC[C@@H]23)oc1C ZINC001755696160 1407742829 /nfs/dbraw/zinc/74/28/29/1407742829.db2.gz WRZVUUQWDNFDDB-RHSMWYFYSA-N 1 2 348.472 2.161 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1nc(C)cs1 ZINC001755805371 1407858433 /nfs/dbraw/zinc/85/84/33/1407858433.db2.gz VCKBIGICCOFWQG-AWEZNQCLSA-N 1 2 339.505 2.305 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1nc(C)cs1 ZINC001755805371 1407858437 /nfs/dbraw/zinc/85/84/37/1407858437.db2.gz VCKBIGICCOFWQG-AWEZNQCLSA-N 1 2 339.505 2.305 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H](C)Cc2cnn(C)c2)CC1 ZINC001755897094 1407968346 /nfs/dbraw/zinc/96/83/46/1407968346.db2.gz NAXRJSWBKJIHDU-CYBMUJFWSA-N 1 2 336.867 2.100 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H](C)Cc2cnn(C)c2)CC1 ZINC001755897094 1407968352 /nfs/dbraw/zinc/96/83/52/1407968352.db2.gz NAXRJSWBKJIHDU-CYBMUJFWSA-N 1 2 336.867 2.100 20 30 EEEDLO C=CCC1(C(=O)NCC2CC(NC(=O)Cn3cc[nH+]c3)C2)CCCC1 ZINC001755938170 1408013712 /nfs/dbraw/zinc/01/37/12/1408013712.db2.gz PIMMWHMJGDHRBX-UHFFFAOYSA-N 1 2 344.459 2.031 20 30 EEEDLO C=CCCCC(=O)N1CC([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001756147021 1408177020 /nfs/dbraw/zinc/17/70/20/1408177020.db2.gz HPAKSLRCIVPNFT-HNNXBMFYSA-N 1 2 346.475 2.246 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001756596791 1409120808 /nfs/dbraw/zinc/12/08/08/1409120808.db2.gz BJNRHUGXNIJHAZ-LSDHHAIUSA-N 1 2 346.475 2.061 20 30 EEEDLO C=C(C)CCC(=O)N[C@]12CCC[C@@H]1N(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001756609380 1409134118 /nfs/dbraw/zinc/13/41/18/1409134118.db2.gz INBVCGREXOWKBK-KXBFYZLASA-N 1 2 344.459 2.338 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001756723181 1409257386 /nfs/dbraw/zinc/25/73/86/1409257386.db2.gz KQQNDMCQHSJOMU-KSSFIOAISA-N 1 2 334.464 2.202 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001756944596 1409536270 /nfs/dbraw/zinc/53/62/70/1409536270.db2.gz JECAQKDQWIIDTG-CVEARBPZSA-N 1 2 346.475 2.086 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]21 ZINC001756964916 1409545666 /nfs/dbraw/zinc/54/56/66/1409545666.db2.gz PQJJJGICUGXTII-DLBZAZTESA-N 1 2 344.459 2.079 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001757552982 1409760679 /nfs/dbraw/zinc/76/06/79/1409760679.db2.gz VTKMRUJANCYOKC-OAHLLOKOSA-N 1 2 346.475 2.442 20 30 EEEDLO Cc1nc(N2CCC[C@H](NC(=O)CSCC#N)CC2)c(C)c(C)[nH+]1 ZINC001111980431 761910739 /nfs/dbraw/zinc/91/07/39/761910739.db2.gz XFVDHIKRPABKSZ-HNNXBMFYSA-N 1 2 347.488 2.134 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N(CCN(C)c1cc[nH+]c(C)n1)C(C)C ZINC001125405556 758040972 /nfs/dbraw/zinc/04/09/72/758040972.db2.gz XOSICEZKMKPVKX-HNNXBMFYSA-N 1 2 334.464 2.439 20 30 EEEDLO C=CCCC(=O)N(CCN(C)c1ncnc2c1C[N@H+](C)CC2)C(C)C ZINC001125416069 758102372 /nfs/dbraw/zinc/10/23/72/758102372.db2.gz JVLSTWUVDVYZSN-UHFFFAOYSA-N 1 2 345.491 2.104 20 30 EEEDLO C=CCCC(=O)N(CCN(C)c1ncnc2c1C[N@@H+](C)CC2)C(C)C ZINC001125416069 758102376 /nfs/dbraw/zinc/10/23/76/758102376.db2.gz JVLSTWUVDVYZSN-UHFFFAOYSA-N 1 2 345.491 2.104 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N(C)CCCNc3ccc(C#N)nc3)ccn12 ZINC001109534487 805635881 /nfs/dbraw/zinc/63/58/81/805635881.db2.gz XPAQWJWFSUUNKV-UHFFFAOYSA-N 1 2 348.410 2.484 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(CC)n2)CCO1 ZINC001104339893 759565268 /nfs/dbraw/zinc/56/52/68/759565268.db2.gz PPDNFLGPKZQWKH-JKSUJKDBSA-N 1 2 346.475 2.271 20 30 EEEDLO N#C/N=C1\SCCN1Cc1ccc(NCc2cc[nH+]c(N)c2)nc1 ZINC001167615026 760739472 /nfs/dbraw/zinc/73/94/72/760739472.db2.gz VXGHMZCGIUGRPK-JWGURIENSA-N 1 2 339.428 2.057 20 30 EEEDLO CC(F)(F)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001075484421 761247134 /nfs/dbraw/zinc/24/71/34/761247134.db2.gz KQZWVIUIONJHMX-DZGCQCFKSA-N 1 2 337.345 2.385 20 30 EEEDLO CC(F)(F)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001075484421 761247135 /nfs/dbraw/zinc/24/71/35/761247135.db2.gz KQZWVIUIONJHMX-DZGCQCFKSA-N 1 2 337.345 2.385 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ncc[nH]2)c1 ZINC001024433423 761349948 /nfs/dbraw/zinc/34/99/48/761349948.db2.gz HSFUSUKCYVGLOL-OAHLLOKOSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ncc[nH]2)c1 ZINC001024433423 761349955 /nfs/dbraw/zinc/34/99/55/761349955.db2.gz HSFUSUKCYVGLOL-OAHLLOKOSA-N 1 2 341.390 2.205 20 30 EEEDLO Cc1nc(NC[C@@H](C)N(C)C(=O)C#CC2CC2)c2c([nH+]1)CCCC2 ZINC001104554856 761847462 /nfs/dbraw/zinc/84/74/62/761847462.db2.gz JLBZNLPKOYKWEU-CYBMUJFWSA-N 1 2 326.444 2.336 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCC[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001098606240 765206381 /nfs/dbraw/zinc/20/63/81/765206381.db2.gz LDCGQFIYDIFIHT-KBPBESRZSA-N 1 2 332.452 2.052 20 30 EEEDLO C=CCC1(C(=O)N(C)[C@H](C)CNc2nc(N(C)C)nc(C)[nH+]2)CCC1 ZINC001104788482 765288360 /nfs/dbraw/zinc/28/83/60/765288360.db2.gz LGZOJNYOLCZPER-CYBMUJFWSA-N 1 2 346.479 2.251 20 30 EEEDLO C[C@H](CNc1ccc(C#N)cn1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001104834626 765391461 /nfs/dbraw/zinc/39/14/61/765391461.db2.gz YFWVKJZFJATIAV-ZIAGYGMSSA-N 1 2 326.404 2.060 20 30 EEEDLO C=CCCOCC(=O)N1CCC(CCN(C)c2cc[nH+]c(C)n2)CC1 ZINC001105099774 769066118 /nfs/dbraw/zinc/06/61/18/769066118.db2.gz KVCZREGVEIWDLK-UHFFFAOYSA-N 1 2 346.475 2.443 20 30 EEEDLO CC(C)[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)Nc1ccncc1C#N ZINC001105309432 769671445 /nfs/dbraw/zinc/67/14/45/769671445.db2.gz RUQOKMGIJRTUOR-GOSISDBHSA-N 1 2 348.410 2.118 20 30 EEEDLO C=CCCC1(C(=O)N2CC(n3cc(C[NH2+]C/C=C/Cl)nn3)C2)CC1 ZINC001105322339 769710008 /nfs/dbraw/zinc/71/00/08/769710008.db2.gz KZYVLZOWAGHGKY-XBXARRHUSA-N 1 2 349.866 2.250 20 30 EEEDLO Cc1cccnc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031602033 770061716 /nfs/dbraw/zinc/06/17/16/770061716.db2.gz VFWPSHDLVKJKSQ-UHFFFAOYSA-N 1 2 337.398 2.242 20 30 EEEDLO CCc1[nH]ccc1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031650619 770628804 /nfs/dbraw/zinc/62/88/04/770628804.db2.gz UZGLCRNLXGYQCX-UHFFFAOYSA-N 1 2 340.402 2.450 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccncc2Cl)c[nH]1 ZINC001027833979 773218908 /nfs/dbraw/zinc/21/89/08/773218908.db2.gz WZNGQXVSJOEXCN-OAHLLOKOSA-N 1 2 343.818 2.329 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccncc2Cl)c[nH]1 ZINC001027833979 773218909 /nfs/dbraw/zinc/21/89/09/773218909.db2.gz WZNGQXVSJOEXCN-OAHLLOKOSA-N 1 2 343.818 2.329 20 30 EEEDLO CC[C@@H]1CC[C@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)O1 ZINC001031708266 773526216 /nfs/dbraw/zinc/52/62/16/773526216.db2.gz NCFSYDIGFCZZAJ-SJLPKXTDSA-N 1 2 345.418 2.203 20 30 EEEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1OCCO[C@H]1C ZINC001089655686 773944561 /nfs/dbraw/zinc/94/45/61/773944561.db2.gz URBDVJQWEAGTBW-ZNMIVQPWSA-N 1 2 344.883 2.150 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1OCCO[C@H]1C ZINC001089655686 773944564 /nfs/dbraw/zinc/94/45/64/773944564.db2.gz URBDVJQWEAGTBW-ZNMIVQPWSA-N 1 2 344.883 2.150 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)c1nnc(C)o1 ZINC001027936238 774656661 /nfs/dbraw/zinc/65/66/61/774656661.db2.gz FNJGWFFDLNGACN-DZGCQCFKSA-N 1 2 343.431 2.321 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)c1nnc(C)o1 ZINC001027936238 774656664 /nfs/dbraw/zinc/65/66/64/774656664.db2.gz FNJGWFFDLNGACN-DZGCQCFKSA-N 1 2 343.431 2.321 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)N(CC)c1[nH+]cnc2c1cnn2C ZINC001089722714 774732047 /nfs/dbraw/zinc/73/20/47/774732047.db2.gz GBDFRVHTQUAQNZ-UONOGXRCSA-N 1 2 344.463 2.297 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)C[C@@H]3CCCO3)CC2)ccc1F ZINC000980733677 775328284 /nfs/dbraw/zinc/32/82/84/775328284.db2.gz AJGLEYITRYGOOC-KRWDZBQOSA-N 1 2 345.418 2.301 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)C[C@@H]3CCCO3)CC2)ccc1F ZINC000980733677 775328291 /nfs/dbraw/zinc/32/82/91/775328291.db2.gz AJGLEYITRYGOOC-KRWDZBQOSA-N 1 2 345.418 2.301 20 30 EEEDLO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)n(C)n1 ZINC000980783937 775589226 /nfs/dbraw/zinc/58/92/26/775589226.db2.gz PEYTYTDMQLRESK-UHFFFAOYSA-N 1 2 343.456 2.010 20 30 EEEDLO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)n(C)n1 ZINC000980783937 775589237 /nfs/dbraw/zinc/58/92/37/775589237.db2.gz PEYTYTDMQLRESK-UHFFFAOYSA-N 1 2 343.456 2.010 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000980850424 775808290 /nfs/dbraw/zinc/80/82/90/775808290.db2.gz UASKMALSCFYMIL-OAHLLOKOSA-N 1 2 329.831 2.385 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000980850424 775808294 /nfs/dbraw/zinc/80/82/94/775808294.db2.gz UASKMALSCFYMIL-OAHLLOKOSA-N 1 2 329.831 2.385 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@@H]3CCOC3)CC2)c(F)c1 ZINC000980880045 775917093 /nfs/dbraw/zinc/91/70/93/775917093.db2.gz UULZZAVYHNIPPH-INIZCTEOSA-N 1 2 345.418 2.158 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@@H]3CCOC3)CC2)c(F)c1 ZINC000980880045 775917104 /nfs/dbraw/zinc/91/71/04/775917104.db2.gz UULZZAVYHNIPPH-INIZCTEOSA-N 1 2 345.418 2.158 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)c1 ZINC000980917740 776048248 /nfs/dbraw/zinc/04/82/48/776048248.db2.gz XSFMCGXPPTWBBV-UHFFFAOYSA-N 1 2 332.407 2.086 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)c1 ZINC000980917740 776048256 /nfs/dbraw/zinc/04/82/56/776048256.db2.gz XSFMCGXPPTWBBV-UHFFFAOYSA-N 1 2 332.407 2.086 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn2c1nc(C)cc2C ZINC001028066408 776960424 /nfs/dbraw/zinc/96/04/24/776960424.db2.gz XIKUOXFKNOPCET-CQSZACIVSA-N 1 2 347.850 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn2c1nc(C)cc2C ZINC001028066408 776960431 /nfs/dbraw/zinc/96/04/31/776960431.db2.gz XIKUOXFKNOPCET-CQSZACIVSA-N 1 2 347.850 2.293 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(CC)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106915878 777218464 /nfs/dbraw/zinc/21/84/64/777218464.db2.gz YRDFKVIOMMWLII-ZDUSSCGKSA-N 1 2 334.468 2.109 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCCOCC(F)(F)F)cc1OC ZINC000181609235 777227401 /nfs/dbraw/zinc/22/74/01/777227401.db2.gz QJEQOLPVXNULBI-UHFFFAOYSA-N 1 2 336.310 2.114 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)c1cnsn1 ZINC001010318821 777245813 /nfs/dbraw/zinc/24/58/13/777245813.db2.gz ORHAKZSZRXFKHK-AWEZNQCLSA-N 1 2 346.843 2.047 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)c1cnsn1 ZINC001010318821 777245821 /nfs/dbraw/zinc/24/58/21/777245821.db2.gz ORHAKZSZRXFKHK-AWEZNQCLSA-N 1 2 346.843 2.047 20 30 EEEDLO COC1CC(C(=O)N2CCC[N@H+](Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000981409277 777337851 /nfs/dbraw/zinc/33/78/51/777337851.db2.gz XYKSIPXYFRDUFW-UHFFFAOYSA-N 1 2 345.418 2.157 20 30 EEEDLO COC1CC(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000981409277 777337857 /nfs/dbraw/zinc/33/78/57/777337857.db2.gz XYKSIPXYFRDUFW-UHFFFAOYSA-N 1 2 345.418 2.157 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)NC[C@H]1C[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091392286 790584913 /nfs/dbraw/zinc/58/49/13/790584913.db2.gz XJMPZOOXCAMXTK-GBOPCIDUSA-N 1 2 346.479 2.011 20 30 EEEDLO CO[C@H](C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1)C(C)C ZINC000981878808 778467267 /nfs/dbraw/zinc/46/72/67/778467267.db2.gz XZSWSIXGLFRHEE-IBGZPJMESA-N 1 2 346.446 2.383 20 30 EEEDLO CO[C@H](C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1)C(C)C ZINC000981878808 778467270 /nfs/dbraw/zinc/46/72/70/778467270.db2.gz XZSWSIXGLFRHEE-IBGZPJMESA-N 1 2 346.446 2.383 20 30 EEEDLO CC[C@H](OC)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001075606151 778699059 /nfs/dbraw/zinc/69/90/59/778699059.db2.gz GQCRPLPJEJTHKJ-QGTPRVQTSA-N 1 2 345.418 2.155 20 30 EEEDLO CC[C@H](OC)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001075606151 778699063 /nfs/dbraw/zinc/69/90/63/778699063.db2.gz GQCRPLPJEJTHKJ-QGTPRVQTSA-N 1 2 345.418 2.155 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC001028179050 778715607 /nfs/dbraw/zinc/71/56/07/778715607.db2.gz UXBGZYKGTUDOJP-GOEBONIOSA-N 1 2 338.810 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC001028179050 778715611 /nfs/dbraw/zinc/71/56/11/778715611.db2.gz UXBGZYKGTUDOJP-GOEBONIOSA-N 1 2 338.810 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1scc2c1OCCO2 ZINC001028241279 779575716 /nfs/dbraw/zinc/57/57/16/779575716.db2.gz IQOKVXAHXMPHKL-NSHDSACASA-N 1 2 342.848 2.466 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1scc2c1OCCO2 ZINC001028241279 779575723 /nfs/dbraw/zinc/57/57/23/779575723.db2.gz IQOKVXAHXMPHKL-NSHDSACASA-N 1 2 342.848 2.466 20 30 EEEDLO COc1c(F)cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)cc1F ZINC001075621065 779649709 /nfs/dbraw/zinc/64/97/09/779649709.db2.gz NHONHUDIRQWFAP-DETPVDSQSA-N 1 2 349.381 2.166 20 30 EEEDLO COc1c(F)cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)cc1F ZINC001075621065 779649716 /nfs/dbraw/zinc/64/97/16/779649716.db2.gz NHONHUDIRQWFAP-DETPVDSQSA-N 1 2 349.381 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@H]2NC(=O)c3ccccc32)CC1 ZINC000982335200 779760172 /nfs/dbraw/zinc/76/01/72/779760172.db2.gz JZIFJPUTYSVGFK-MRXNPFEDSA-N 1 2 347.846 2.148 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@H]2NC(=O)c3ccccc32)CC1 ZINC000982335200 779760175 /nfs/dbraw/zinc/76/01/75/779760175.db2.gz JZIFJPUTYSVGFK-MRXNPFEDSA-N 1 2 347.846 2.148 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000941073987 779790833 /nfs/dbraw/zinc/79/08/33/779790833.db2.gz GBNJFAJBKZDSNJ-QFBILLFUSA-N 1 2 346.475 2.497 20 30 EEEDLO C#CCCCC(=O)N(C)CCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001105378466 781160377 /nfs/dbraw/zinc/16/03/77/781160377.db2.gz JDHSJZBVNOYJPZ-UHFFFAOYSA-N 1 2 328.460 2.362 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)c3ncccc3O)[C@@H]2C1 ZINC001075722008 781211455 /nfs/dbraw/zinc/21/14/55/781211455.db2.gz DROHAEZVFWDFGE-DLBZAZTESA-N 1 2 348.406 2.005 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3ncccc3O)[C@@H]2C1 ZINC001075722008 781211463 /nfs/dbraw/zinc/21/14/63/781211463.db2.gz DROHAEZVFWDFGE-DLBZAZTESA-N 1 2 348.406 2.005 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(C)CCCN(C)c1[nH+]cnc2c1cnn2C ZINC001112155090 781546110 /nfs/dbraw/zinc/54/61/10/781546110.db2.gz KQNYBVUCCWJLTL-ZIAGYGMSSA-N 1 2 344.463 2.106 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(F)c2)C1 ZINC001031987730 781569991 /nfs/dbraw/zinc/56/99/91/781569991.db2.gz YDQUJHDPICAWFP-PBHICJAKSA-N 1 2 336.382 2.104 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ccsn2)[C@H](C)C1 ZINC000942171781 781886330 /nfs/dbraw/zinc/88/63/30/781886330.db2.gz DVJDZAUVXKLLHD-MWLCHTKSSA-N 1 2 344.278 2.492 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ccsn2)[C@H](C)C1 ZINC000942171781 781886333 /nfs/dbraw/zinc/88/63/33/781886333.db2.gz DVJDZAUVXKLLHD-MWLCHTKSSA-N 1 2 344.278 2.492 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCCCC[C@@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001088281960 783353702 /nfs/dbraw/zinc/35/37/02/783353702.db2.gz WXSXAROXIBKTLV-ZIAGYGMSSA-N 1 2 347.463 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001033290332 783385427 /nfs/dbraw/zinc/38/54/27/783385427.db2.gz QPUMLOGSJUEIDF-GFCCVEGCSA-N 1 2 347.850 2.419 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001033290332 783385436 /nfs/dbraw/zinc/38/54/36/783385436.db2.gz QPUMLOGSJUEIDF-GFCCVEGCSA-N 1 2 347.850 2.419 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001131971855 783534123 /nfs/dbraw/zinc/53/41/23/783534123.db2.gz NUVYHSBWPWGUTH-NVXWUHKLSA-N 1 2 330.476 2.391 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001131971855 783534129 /nfs/dbraw/zinc/53/41/29/783534129.db2.gz NUVYHSBWPWGUTH-NVXWUHKLSA-N 1 2 330.476 2.391 20 30 EEEDLO C=C[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C)no1)c1ccccc1 ZINC001035130796 783858460 /nfs/dbraw/zinc/85/84/60/783858460.db2.gz CLNZATPVHCCGKQ-IAGOWNOFSA-N 1 2 340.427 2.428 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001035386274 784424480 /nfs/dbraw/zinc/42/44/80/784424480.db2.gz XSMVHTFVBCBDRO-MRXNPFEDSA-N 1 2 325.412 2.160 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001035386274 784424485 /nfs/dbraw/zinc/42/44/85/784424485.db2.gz XSMVHTFVBCBDRO-MRXNPFEDSA-N 1 2 325.412 2.160 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)n([C@@H](C)CC)n2)C1 ZINC001035423914 784467653 /nfs/dbraw/zinc/46/76/53/784467653.db2.gz MWTBTISYJFXKRN-GOEBONIOSA-N 1 2 334.464 2.169 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(C)n([C@@H](C)CC)n2)C1 ZINC001035423914 784467659 /nfs/dbraw/zinc/46/76/59/784467659.db2.gz MWTBTISYJFXKRN-GOEBONIOSA-N 1 2 334.464 2.169 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001035414093 784491083 /nfs/dbraw/zinc/49/10/83/784491083.db2.gz MWOWKRYXKMWLON-PKOBYXMFSA-N 1 2 328.456 2.500 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001035414093 784491089 /nfs/dbraw/zinc/49/10/89/784491089.db2.gz MWOWKRYXKMWLON-PKOBYXMFSA-N 1 2 328.456 2.500 20 30 EEEDLO C#Cc1ccc(C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)nc1 ZINC000817182745 784561692 /nfs/dbraw/zinc/56/16/92/784561692.db2.gz DCZWNONMFAASBJ-UHFFFAOYSA-N 1 2 336.391 2.252 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001035482402 784562419 /nfs/dbraw/zinc/56/24/19/784562419.db2.gz WNASCAMDUUKRKW-ZBFHGGJFSA-N 1 2 330.428 2.189 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001035482402 784562426 /nfs/dbraw/zinc/56/24/26/784562426.db2.gz WNASCAMDUUKRKW-ZBFHGGJFSA-N 1 2 330.428 2.189 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001035464770 784587493 /nfs/dbraw/zinc/58/74/93/784587493.db2.gz ZPQOMINYGBWWNF-HNNXBMFYSA-N 1 2 331.391 2.314 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001035464770 784587501 /nfs/dbraw/zinc/58/75/01/784587501.db2.gz ZPQOMINYGBWWNF-HNNXBMFYSA-N 1 2 331.391 2.314 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2C[N@H+](CCOC3CCC3)CCO2)CC1 ZINC001035502039 784601106 /nfs/dbraw/zinc/60/11/06/784601106.db2.gz JIMDVDPMAYECAH-GOSISDBHSA-N 1 2 336.476 2.119 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2C[N@@H+](CCOC3CCC3)CCO2)CC1 ZINC001035502039 784601110 /nfs/dbraw/zinc/60/11/10/784601110.db2.gz JIMDVDPMAYECAH-GOSISDBHSA-N 1 2 336.476 2.119 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C(F)F)c(F)c2)C1 ZINC001035506652 784608917 /nfs/dbraw/zinc/60/89/17/784608917.db2.gz VTDPEVHCMFYZGW-LBPRGKRZSA-N 1 2 328.334 2.380 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C(F)F)c(F)c2)C1 ZINC001035506652 784608919 /nfs/dbraw/zinc/60/89/19/784608919.db2.gz VTDPEVHCMFYZGW-LBPRGKRZSA-N 1 2 328.334 2.380 20 30 EEEDLO C=C(C)CCC(=O)N(C)C1CC(Nc2[nH+]cnc3c2cnn3C)C1 ZINC001127009873 784631111 /nfs/dbraw/zinc/63/11/11/784631111.db2.gz NMGCPVXTBBVGPO-UHFFFAOYSA-N 1 2 328.420 2.121 20 30 EEEDLO C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2ccc(C#N)cn2)C1)n1cc[nH+]c1 ZINC001091517435 791049638 /nfs/dbraw/zinc/04/96/38/791049638.db2.gz JEJFAKUPFRFPQN-FVQBIDKESA-N 1 2 338.415 2.108 20 30 EEEDLO Cc1noc(C)c1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032272355 784732816 /nfs/dbraw/zinc/73/28/16/784732816.db2.gz UXUJKVAYWADJLD-IRXDYDNUSA-N 1 2 336.395 2.262 20 30 EEEDLO Cc1noc(C)c1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032272355 784732823 /nfs/dbraw/zinc/73/28/23/784732823.db2.gz UXUJKVAYWADJLD-IRXDYDNUSA-N 1 2 336.395 2.262 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC2(C[NH+](Cc3cnnn3CC)C2)CC1 ZINC001035782983 785119675 /nfs/dbraw/zinc/11/96/75/785119675.db2.gz XRDQOYDCPHJTLF-GOSISDBHSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(C)s2)[C@@H]1C ZINC001088868781 791108634 /nfs/dbraw/zinc/10/86/34/791108634.db2.gz YCAIJPOFGHGTBY-KBXIAJHMSA-N 1 2 335.473 2.122 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)s2)[C@@H]1C ZINC001088868781 791108639 /nfs/dbraw/zinc/10/86/39/791108639.db2.gz YCAIJPOFGHGTBY-KBXIAJHMSA-N 1 2 335.473 2.122 20 30 EEEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000908660382 785613751 /nfs/dbraw/zinc/61/37/51/785613751.db2.gz SHSGDFJMFUUTAL-MRXNPFEDSA-N 1 2 331.416 2.410 20 30 EEEDLO C#CCCCc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC=C ZINC000908721633 785651759 /nfs/dbraw/zinc/65/17/59/785651759.db2.gz SJRFQALDJOTXDG-UHFFFAOYSA-N 1 2 336.443 2.142 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CC[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001091548891 791143091 /nfs/dbraw/zinc/14/30/91/791143091.db2.gz MLXIYZZFBTVMCL-LSDHHAIUSA-N 1 2 343.475 2.128 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CC[C@@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001091548891 791143100 /nfs/dbraw/zinc/14/31/00/791143100.db2.gz MLXIYZZFBTVMCL-LSDHHAIUSA-N 1 2 343.475 2.128 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(F)ccc(F)c2F)[C@@H](O)C1 ZINC001090532964 785925063 /nfs/dbraw/zinc/92/50/63/785925063.db2.gz UVWWAZISFGFKSJ-RYUDHWBXSA-N 1 2 348.752 2.021 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(F)ccc(F)c2F)[C@@H](O)C1 ZINC001090532964 785925071 /nfs/dbraw/zinc/92/50/71/785925071.db2.gz UVWWAZISFGFKSJ-RYUDHWBXSA-N 1 2 348.752 2.021 20 30 EEEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(S(N)(=O)=O)c1 ZINC000820624266 785992984 /nfs/dbraw/zinc/99/29/84/785992984.db2.gz MHTJAFLCWBSQBP-UHFFFAOYSA-N 1 2 345.424 2.133 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CC[C@@H](C)C3)nn2)C1 ZINC001107192307 786314992 /nfs/dbraw/zinc/31/49/92/786314992.db2.gz FZMAQNAMLFAEJD-HUUCEWRRSA-N 1 2 331.464 2.153 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CC3CC(C)(C)C3)nn2)C1 ZINC001107198952 786368801 /nfs/dbraw/zinc/36/88/01/786368801.db2.gz YZLYANLFEDNORO-UHFFFAOYSA-N 1 2 331.464 2.153 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(Cl)c2)[C@@H](O)C1 ZINC001090538283 786790591 /nfs/dbraw/zinc/79/05/91/786790591.db2.gz GSNZVEIRGJHQGB-CABCVRRESA-N 1 2 343.254 2.186 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cccc(Cl)c2)[C@@H](O)C1 ZINC001090538283 786790596 /nfs/dbraw/zinc/79/05/96/786790596.db2.gz GSNZVEIRGJHQGB-CABCVRRESA-N 1 2 343.254 2.186 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)c(C)o3)C[C@H]2O)CC1 ZINC001090548597 786835081 /nfs/dbraw/zinc/83/50/81/786835081.db2.gz ZYITVYJKKUUFGC-IAGOWNOFSA-N 1 2 347.459 2.089 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C)c(C)o3)C[C@H]2O)CC1 ZINC001090548597 786835091 /nfs/dbraw/zinc/83/50/91/786835091.db2.gz ZYITVYJKKUUFGC-IAGOWNOFSA-N 1 2 347.459 2.089 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cccc(Cl)n3)C[C@@H]2O)C1 ZINC001090552475 786851844 /nfs/dbraw/zinc/85/18/44/786851844.db2.gz DAMXZTDRFURYOE-GJZGRUSLSA-N 1 2 349.862 2.143 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(Cl)n3)C[C@@H]2O)C1 ZINC001090552475 786851851 /nfs/dbraw/zinc/85/18/51/786851851.db2.gz DAMXZTDRFURYOE-GJZGRUSLSA-N 1 2 349.862 2.143 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001062060301 787300599 /nfs/dbraw/zinc/30/05/99/787300599.db2.gz PHVGQCMPZNBCBP-GDBMZVCRSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001062060301 787300610 /nfs/dbraw/zinc/30/06/10/787300610.db2.gz PHVGQCMPZNBCBP-GDBMZVCRSA-N 1 2 332.448 2.052 20 30 EEEDLO Cc1cc(NC2(CNC(=O)c3c[nH]c(C#N)c3)CC2)nc(C(C)C)[nH+]1 ZINC001110105622 787371974 /nfs/dbraw/zinc/37/19/74/787371974.db2.gz KQCHFAISYYGKPY-UHFFFAOYSA-N 1 2 338.415 2.483 20 30 EEEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001062244691 787690260 /nfs/dbraw/zinc/69/02/60/787690260.db2.gz SMXPZHHOVXZDEG-MRXNPFEDSA-N 1 2 332.448 2.196 20 30 EEEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001062244691 787690263 /nfs/dbraw/zinc/69/02/63/787690263.db2.gz SMXPZHHOVXZDEG-MRXNPFEDSA-N 1 2 332.448 2.196 20 30 EEEDLO C=C(C)[C@@H](Cc1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1)OCC ZINC000823389999 787727126 /nfs/dbraw/zinc/72/71/26/787727126.db2.gz UKAVIAXYSXSWFF-NWDGAFQWSA-N 1 2 325.409 2.325 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2Cl)[C@@H](O)C1 ZINC001090748667 788034472 /nfs/dbraw/zinc/03/44/72/788034472.db2.gz YLIZVADBIJSGAT-KBPBESRZSA-N 1 2 329.227 2.258 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2Cl)[C@@H](O)C1 ZINC001090748667 788034481 /nfs/dbraw/zinc/03/44/81/788034481.db2.gz YLIZVADBIJSGAT-KBPBESRZSA-N 1 2 329.227 2.258 20 30 EEEDLO C[C@]1(CNC(=O)c2ccoc2)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107735691 788190412 /nfs/dbraw/zinc/19/04/12/788190412.db2.gz GCTWCTNKVXJWFG-IBGZPJMESA-N 1 2 339.395 2.172 20 30 EEEDLO C[C@]1(CNC(=O)c2ccoc2)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107735691 788190419 /nfs/dbraw/zinc/19/04/19/788190419.db2.gz GCTWCTNKVXJWFG-IBGZPJMESA-N 1 2 339.395 2.172 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)s2)[C@H](O)C1 ZINC001090782854 788236880 /nfs/dbraw/zinc/23/68/80/788236880.db2.gz IQUHNQWJBVGYSS-VHSXEESVSA-N 1 2 335.256 2.319 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)s2)[C@H](O)C1 ZINC001090782854 788236886 /nfs/dbraw/zinc/23/68/86/788236886.db2.gz IQUHNQWJBVGYSS-VHSXEESVSA-N 1 2 335.256 2.319 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3cnccc32)[C@H](O)C1 ZINC001090816037 788414733 /nfs/dbraw/zinc/41/47/33/788414733.db2.gz ONJCPZIKEOWFMY-IAGOWNOFSA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc3cnccc32)[C@H](O)C1 ZINC001090816037 788414738 /nfs/dbraw/zinc/41/47/38/788414738.db2.gz ONJCPZIKEOWFMY-IAGOWNOFSA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C23CCC(CC2)CC3)[C@@H](O)C1 ZINC001090830410 788486924 /nfs/dbraw/zinc/48/69/24/788486924.db2.gz MIVIFWAJPBFNAU-DGNOSDGRSA-N 1 2 326.868 2.261 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C23CCC(CC2)CC3)[C@@H](O)C1 ZINC001090830410 788486929 /nfs/dbraw/zinc/48/69/29/788486929.db2.gz MIVIFWAJPBFNAU-DGNOSDGRSA-N 1 2 326.868 2.261 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)[C@H](O)C1 ZINC001090835728 788498419 /nfs/dbraw/zinc/49/84/19/788498419.db2.gz IHRRUMFCTFZMPQ-IAGOWNOFSA-N 1 2 334.847 2.482 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)[C@H](O)C1 ZINC001090835728 788498425 /nfs/dbraw/zinc/49/84/25/788498425.db2.gz IHRRUMFCTFZMPQ-IAGOWNOFSA-N 1 2 334.847 2.482 20 30 EEEDLO C=CCOCC(=O)NC[C@]1(C)C[N@H+](C/C=C\c2ccccc2)CCO1 ZINC001107811707 788532545 /nfs/dbraw/zinc/53/25/45/788532545.db2.gz QHRACTCJPBNKDF-ROFLEHJCSA-N 1 2 344.455 2.110 20 30 EEEDLO C=CCOCC(=O)NC[C@]1(C)C[N@@H+](C/C=C\c2ccccc2)CCO1 ZINC001107811707 788532554 /nfs/dbraw/zinc/53/25/54/788532554.db2.gz QHRACTCJPBNKDF-ROFLEHJCSA-N 1 2 344.455 2.110 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060787312 788633683 /nfs/dbraw/zinc/63/36/83/788633683.db2.gz HMTGSTYMNLDCKC-BZUAXINKSA-N 1 2 346.475 2.346 20 30 EEEDLO C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)c2cncc3nc[nH]c32)CC1 ZINC000997102011 788796527 /nfs/dbraw/zinc/79/65/27/788796527.db2.gz UMCPLYAXLCEYBQ-CYBMUJFWSA-N 1 2 327.432 2.364 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCCc3ncc(C)o3)CC2)C1 ZINC001105713791 789138595 /nfs/dbraw/zinc/13/85/95/789138595.db2.gz VRXLHEVDFANZFS-UHFFFAOYSA-N 1 2 347.459 2.184 20 30 EEEDLO N#Cc1ccccc1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000156800474 789308583 /nfs/dbraw/zinc/30/85/83/789308583.db2.gz RSISKRVZTZKAIU-UHFFFAOYSA-N 1 2 338.392 2.222 20 30 EEEDLO C=CCCOCCCCC(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001127129572 789589358 /nfs/dbraw/zinc/58/93/58/789589358.db2.gz VDKYJOAZVRHHOH-AWEZNQCLSA-N 1 2 338.452 2.162 20 30 EEEDLO C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001107945204 789669710 /nfs/dbraw/zinc/66/97/10/789669710.db2.gz AZELZRSODGUPIC-DNVCBOLYSA-N 1 2 346.475 2.003 20 30 EEEDLO C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001107945204 789669715 /nfs/dbraw/zinc/66/97/15/789669715.db2.gz AZELZRSODGUPIC-DNVCBOLYSA-N 1 2 346.475 2.003 20 30 EEEDLO C=CCOCCCC(=O)N1CC[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001111600356 789915369 /nfs/dbraw/zinc/91/53/69/789915369.db2.gz PQQDZSAUXILWGV-INIZCTEOSA-N 1 2 332.448 2.418 20 30 EEEDLO O=C(Cc1ccc(F)cn1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032481073 790052024 /nfs/dbraw/zinc/05/20/24/790052024.db2.gz PVVAZWUVFYZUCT-PMACEKPBSA-N 1 2 349.409 2.100 20 30 EEEDLO O=C(Cc1ccc(F)cn1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032481073 790052028 /nfs/dbraw/zinc/05/20/28/790052028.db2.gz PVVAZWUVFYZUCT-PMACEKPBSA-N 1 2 349.409 2.100 20 30 EEEDLO N#Cc1ccc(F)c(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000888361865 790208187 /nfs/dbraw/zinc/20/81/87/790208187.db2.gz KPIWLXJUYSAPKX-CQSZACIVSA-N 1 2 332.379 2.026 20 30 EEEDLO N#Cc1ccc(N[C@@H]2CC[C@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)nc1 ZINC001091563085 791260036 /nfs/dbraw/zinc/26/00/36/791260036.db2.gz USIHBMVUGNCJRW-DZGCQCFKSA-N 1 2 338.415 2.006 20 30 EEEDLO C#CCCCC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nc(CC)no1)C2 ZINC001147461880 791830198 /nfs/dbraw/zinc/83/01/98/791830198.db2.gz FHVMYQWKZZVIIX-AWEZNQCLSA-N 1 2 330.432 2.031 20 30 EEEDLO C#CCCCC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nc(CC)no1)C2 ZINC001147461880 791830202 /nfs/dbraw/zinc/83/02/02/791830202.db2.gz FHVMYQWKZZVIIX-AWEZNQCLSA-N 1 2 330.432 2.031 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC1(CNC(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001063864028 791851598 /nfs/dbraw/zinc/85/15/98/791851598.db2.gz PVSMMIUTUZQQJE-CYBMUJFWSA-N 1 2 332.448 2.018 20 30 EEEDLO Cc1nc(NCC[C@H]2[C@@H](C)CCCN2C(=O)CSCC#N)cc[nH+]1 ZINC001091658084 791966505 /nfs/dbraw/zinc/96/65/05/791966505.db2.gz KBSXTDBHPBOYFX-ZFWWWQNUSA-N 1 2 347.488 2.471 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079092255 792034786 /nfs/dbraw/zinc/03/47/86/792034786.db2.gz CLNLOAZYOIYWLF-NVXWUHKLSA-N 1 2 346.475 2.394 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079093866 792104365 /nfs/dbraw/zinc/10/43/65/792104365.db2.gz VLNOIOIPGRHTEL-INIZCTEOSA-N 1 2 346.475 2.394 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C(N)=O)c1 ZINC001032606266 792164546 /nfs/dbraw/zinc/16/45/46/792164546.db2.gz QTZUJHZAOBTLLL-ZWOKBUDYSA-N 1 2 341.455 2.173 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C(N)=O)c1 ZINC001032606266 792164550 /nfs/dbraw/zinc/16/45/50/792164550.db2.gz QTZUJHZAOBTLLL-ZWOKBUDYSA-N 1 2 341.455 2.173 20 30 EEEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2nnc(C)o2)C3)CC1 ZINC001148262975 792291540 /nfs/dbraw/zinc/29/15/40/792291540.db2.gz RWTBVTVIAUMXBG-UHFFFAOYSA-N 1 2 330.432 2.159 20 30 EEEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2nnc(C)o2)C3)CC1 ZINC001148262975 792291545 /nfs/dbraw/zinc/29/15/45/792291545.db2.gz RWTBVTVIAUMXBG-UHFFFAOYSA-N 1 2 330.432 2.159 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC001107985412 792710990 /nfs/dbraw/zinc/71/09/90/792710990.db2.gz KKAXFMRRQCLFPH-AZUAARDMSA-N 1 2 344.455 2.118 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC001107985412 792710997 /nfs/dbraw/zinc/71/09/97/792710997.db2.gz KKAXFMRRQCLFPH-AZUAARDMSA-N 1 2 344.455 2.118 20 30 EEEDLO CN(CCCCCCNc1ccc(C#N)cn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001091748572 792718894 /nfs/dbraw/zinc/71/88/94/792718894.db2.gz IPKXIKSHTZWKNH-UHFFFAOYSA-N 1 2 340.431 2.350 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)N(c2[nH+]cnc3c2cnn3C)C1 ZINC001089150812 792804199 /nfs/dbraw/zinc/80/41/99/792804199.db2.gz VCXQNYWRENBSFZ-KBPBESRZSA-N 1 2 342.447 2.193 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](CNc1[nH+]cnc2c1cnn2C)C1CC1 ZINC001109916180 806191003 /nfs/dbraw/zinc/19/10/03/806191003.db2.gz TZVNESBKYKUHMR-AWEZNQCLSA-N 1 2 328.420 2.026 20 30 EEEDLO C=C(C)CCC(=O)NC1(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCC1 ZINC001064472198 793192550 /nfs/dbraw/zinc/19/25/50/793192550.db2.gz ORCPEQPFRPPGAZ-CQSZACIVSA-N 1 2 344.459 2.341 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCCC1(C[NH2+]CC(F)(F)C(F)F)CC1 ZINC001168435188 793307692 /nfs/dbraw/zinc/30/76/92/793307692.db2.gz RSNIBVAGUYACET-LLVKDONJSA-N 1 2 340.361 2.354 20 30 EEEDLO C#CC[N@@H+](C[C@H](O)CC#N)[C@@H]1CCOc2ccc(Br)cc21 ZINC000929638333 793407632 /nfs/dbraw/zinc/40/76/32/793407632.db2.gz IWPKWFPWJREHLH-UKRRQHHQSA-N 1 2 349.228 2.482 20 30 EEEDLO C#CC[N@H+](C[C@H](O)CC#N)[C@@H]1CCOc2ccc(Br)cc21 ZINC000929638333 793407638 /nfs/dbraw/zinc/40/76/38/793407638.db2.gz IWPKWFPWJREHLH-UKRRQHHQSA-N 1 2 349.228 2.482 20 30 EEEDLO Cc1nc(NC2CC(CNC(=O)[C@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001092205530 793671809 /nfs/dbraw/zinc/67/18/09/793671809.db2.gz DVTASRABOUEZSA-LMWSTFAQSA-N 1 2 327.432 2.130 20 30 EEEDLO N#Cc1c(F)cccc1NC1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001092250548 793759329 /nfs/dbraw/zinc/75/93/29/793759329.db2.gz XHJOFJWYRLNZEX-UHFFFAOYSA-N 1 2 341.390 2.291 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](Nc2ccc(C#N)nc2)C[C@H]1C ZINC001064789279 793764439 /nfs/dbraw/zinc/76/44/39/793764439.db2.gz USTDHTZOHLGYDM-TZMCWYRMSA-N 1 2 338.415 2.019 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H](CNc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001109951288 806272164 /nfs/dbraw/zinc/27/21/64/806272164.db2.gz QMNLYTBXEHEOJZ-HIFRSBDPSA-N 1 2 346.479 2.155 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC(C)(C)C1)c1nccn12 ZINC001092393158 793892321 /nfs/dbraw/zinc/89/23/21/793892321.db2.gz VFPPYGFQVMGSLB-GJZGRUSLSA-N 1 2 328.460 2.467 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)c1ccccc1)c1nccn12 ZINC001092409850 793958397 /nfs/dbraw/zinc/95/83/97/793958397.db2.gz YQOMYUBZWRTCTN-NVXWUHKLSA-N 1 2 336.439 2.445 20 30 EEEDLO C=CCOCC(=O)NCC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001092480333 794006177 /nfs/dbraw/zinc/00/61/77/794006177.db2.gz ZNDBPUXXNXUTEY-CXAGYDPISA-N 1 2 346.475 2.183 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2nc(CC)no2)C1 ZINC000999252616 794088034 /nfs/dbraw/zinc/08/80/34/794088034.db2.gz YEYNUMVPDJNBPY-LBPRGKRZSA-N 1 2 340.855 2.491 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3oc(C)nc3c2)[C@H](O)C1 ZINC001090353129 794132492 /nfs/dbraw/zinc/13/24/92/794132492.db2.gz XJMRFSWMJYECNV-UKRRQHHQSA-N 1 2 349.818 2.054 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3oc(C)nc3c2)[C@H](O)C1 ZINC001090353129 794132497 /nfs/dbraw/zinc/13/24/97/794132497.db2.gz XJMRFSWMJYECNV-UKRRQHHQSA-N 1 2 349.818 2.054 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001092983342 794500718 /nfs/dbraw/zinc/50/07/18/794500718.db2.gz BLSUGNDNQRFGNA-DXEWXGHRSA-N 1 2 344.459 2.164 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-c4nnc[nH]4)c3)CC[C@H]21 ZINC001036788832 795011316 /nfs/dbraw/zinc/01/13/16/795011316.db2.gz IDPDCKCXQAOKMH-QZTJIDSGSA-N 1 2 349.438 2.031 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(-c4nnc[nH]4)c3)CC[C@H]21 ZINC001036788832 795011320 /nfs/dbraw/zinc/01/13/20/795011320.db2.gz IDPDCKCXQAOKMH-QZTJIDSGSA-N 1 2 349.438 2.031 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3Cc3csnn3)C2)C1 ZINC001036815281 795233638 /nfs/dbraw/zinc/23/36/38/795233638.db2.gz BRRMFDLALPRPGR-UKRRQHHQSA-N 1 2 332.473 2.317 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3Cc3csnn3)C2)C1 ZINC001036815281 795233643 /nfs/dbraw/zinc/23/36/43/795233643.db2.gz BRRMFDLALPRPGR-UKRRQHHQSA-N 1 2 332.473 2.317 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3Cc3cnsn3)C2)C1 ZINC001036816148 795237162 /nfs/dbraw/zinc/23/71/62/795237162.db2.gz 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C=CC[N@@H+]1C[C@@H](NC(=O)c2scnc2C2CCCC2)[C@H](OC)C1 ZINC001081903715 796972331 /nfs/dbraw/zinc/97/23/31/796972331.db2.gz KLQWMJRGTRWACK-ZIAGYGMSSA-N 1 2 335.473 2.416 20 30 EEEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2scnc2C2CCCC2)[C@H](OC)C1 ZINC001081903715 796972337 /nfs/dbraw/zinc/97/23/37/796972337.db2.gz KLQWMJRGTRWACK-ZIAGYGMSSA-N 1 2 335.473 2.416 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2csc(C(F)(F)F)c2)[C@H](OC)C1 ZINC001081893552 796999753 /nfs/dbraw/zinc/99/97/53/796999753.db2.gz WOKHQLJRQXNMMI-VXGBXAGGSA-N 1 2 346.374 2.219 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2csc(C(F)(F)F)c2)[C@H](OC)C1 ZINC001081893552 796999756 /nfs/dbraw/zinc/99/97/56/796999756.db2.gz WOKHQLJRQXNMMI-VXGBXAGGSA-N 1 2 346.374 2.219 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001095063582 797299261 /nfs/dbraw/zinc/29/92/61/797299261.db2.gz ZOCSZSQKDQDNAT-OAHLLOKOSA-N 1 2 344.463 2.027 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001082187097 797305282 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EEEDLO C#CCCCCCC(=O)N1CC[C@H]2OCC[N@H+](CCOCC=C)[C@H]2C1 ZINC001177060017 798721010 /nfs/dbraw/zinc/72/10/10/798721010.db2.gz ACPFCLVYKUVCSI-RBUKOAKNSA-N 1 2 348.487 2.074 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)CCC)C[C@H]21 ZINC001177080119 798731917 /nfs/dbraw/zinc/73/19/17/798731917.db2.gz JJSFZTHTEIYCAY-SJORKVTESA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)CCC)C[C@H]21 ZINC001177080119 798731921 /nfs/dbraw/zinc/73/19/21/798731921.db2.gz JJSFZTHTEIYCAY-SJORKVTESA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(CC=C)CCC3)C[C@@H]21 ZINC001177100771 798749907 /nfs/dbraw/zinc/74/99/07/798749907.db2.gz HRSPAPJJEKDXGS-ZWKOTPCHSA-N 1 2 348.487 2.237 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3(CC=C)CCC3)C[C@@H]21 ZINC001177100771 798749912 /nfs/dbraw/zinc/74/99/12/798749912.db2.gz HRSPAPJJEKDXGS-ZWKOTPCHSA-N 1 2 348.487 2.237 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC(C)(C)C)C[C@H]21 ZINC001177113401 798757958 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/nfs/dbraw/zinc/03/81/59/804038159.db2.gz OLPANMIPFQUTNC-CVEARBPZSA-N 1 2 335.492 2.180 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H](CCC)CC(C)C)CC2=O)C1 ZINC001108591702 804263112 /nfs/dbraw/zinc/26/31/12/804263112.db2.gz CHOLKBXPTRBTRN-CVEARBPZSA-N 1 2 335.492 2.036 20 30 EEEDLO Cc1cc(N(C)C[C@H](C)NC(=O)CSCC#N)nc(C(C)C)[nH+]1 ZINC001108869509 804628234 /nfs/dbraw/zinc/62/82/34/804628234.db2.gz QSDBCFJLKCSZLC-ZDUSSCGKSA-N 1 2 335.477 2.106 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001108922942 804678870 /nfs/dbraw/zinc/67/88/70/804678870.db2.gz FOXZUXLCQWJLLC-KDOFPFPSSA-N 1 2 334.464 2.176 20 30 EEEDLO CO[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109054035 804891986 /nfs/dbraw/zinc/89/19/86/804891986.db2.gz RDYVPCUHIJXGLI-ZYUBPSHWSA-N 1 2 345.418 2.344 20 30 EEEDLO CO[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109054035 804891995 /nfs/dbraw/zinc/89/19/95/804891995.db2.gz RDYVPCUHIJXGLI-ZYUBPSHWSA-N 1 2 345.418 2.344 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)s1 ZINC001109214165 805131291 /nfs/dbraw/zinc/13/12/91/805131291.db2.gz XXNFKWJPUKDSTA-LLDVTBCESA-N 1 2 349.500 2.309 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)s1 ZINC001109214165 805131294 /nfs/dbraw/zinc/13/12/94/805131294.db2.gz XXNFKWJPUKDSTA-LLDVTBCESA-N 1 2 349.500 2.309 20 30 EEEDLO C#CCOCCC(=O)N1CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC001112843213 807414888 /nfs/dbraw/zinc/41/48/88/807414888.db2.gz OPFLJIKUFSYKDF-UHFFFAOYSA-N 1 2 344.455 2.158 20 30 EEEDLO C=C(C)CCC(=O)N1CC[NH+](C[C@H](O)COc2cccc(C)c2)CC1 ZINC001112904125 807570395 /nfs/dbraw/zinc/57/03/95/807570395.db2.gz GSWMYZBBZPQPMS-SFHVURJKSA-N 1 2 346.471 2.235 20 30 EEEDLO C=C(C)CCC(=O)N1CC[NH+](Cc2ccc(C(=O)NC)cc2)CC1 ZINC001112901337 807582265 /nfs/dbraw/zinc/58/22/65/807582265.db2.gz IYGKEOPWFFBFIO-UHFFFAOYSA-N 1 2 329.444 2.047 20 30 EEEDLO C#CCC1(C(=O)N2CC[NH+](Cc3ccc(CO)cc3)CC2)CCC1 ZINC001112953195 807702378 /nfs/dbraw/zinc/70/23/78/807702378.db2.gz JVGIOYKLIUYGJA-UHFFFAOYSA-N 1 2 326.440 2.017 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccccc2OCC=C)CC1 ZINC001113024490 807881184 /nfs/dbraw/zinc/88/11/84/807881184.db2.gz RQJBJKOSGLOAPT-UHFFFAOYSA-N 1 2 330.428 2.212 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2ccc(C)s2)[C@H](O)C1 ZINC001100146336 808074453 /nfs/dbraw/zinc/07/44/53/808074453.db2.gz ZOGBLPKUGZBEQK-LSDHHAIUSA-N 1 2 342.892 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2ccc(C)s2)[C@H](O)C1 ZINC001100146336 808074461 /nfs/dbraw/zinc/07/44/61/808074461.db2.gz ZOGBLPKUGZBEQK-LSDHHAIUSA-N 1 2 342.892 2.293 20 30 EEEDLO COc1cc(C=NNc2[nH+]ccn2C)cc(Br)c1O ZINC000790301837 808597709 /nfs/dbraw/zinc/59/77/09/808597709.db2.gz JNQVNGZZHDBLON-UHFFFAOYSA-N 1 2 325.166 2.343 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@@H](C)[C@@H](C)Nc2cnc(C#N)cn2)c(C)[nH+]1 ZINC001113382206 808865880 /nfs/dbraw/zinc/86/58/80/808865880.db2.gz PSHQYGXXJHILEV-OLZOCXBDSA-N 1 2 338.415 2.287 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](CC)Oc2ccccc2C)CC1 ZINC001113390746 808876583 /nfs/dbraw/zinc/87/65/83/808876583.db2.gz QYPFJKAIBKPUOL-SFHVURJKSA-N 1 2 346.471 2.499 20 30 EEEDLO C[C@@H](CNC(=O)CCCn1cc[nH+]c1)N(C)c1cccc(F)c1C#N ZINC001113634898 809398491 /nfs/dbraw/zinc/39/84/91/809398491.db2.gz BAMIECPOHMABOF-AWEZNQCLSA-N 1 2 343.406 2.315 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC[C@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001113639834 809423308 /nfs/dbraw/zinc/42/33/08/809423308.db2.gz LNUYUHYPGYMERJ-KBPBESRZSA-N 1 2 346.475 2.196 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](CCOc2c(C)cccc2C)CC1 ZINC001113714696 809621485 /nfs/dbraw/zinc/62/14/85/809621485.db2.gz LHPXGXUEHCUOJV-GOSISDBHSA-N 1 2 346.471 2.418 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H](C)N(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001113895465 810047202 /nfs/dbraw/zinc/04/72/02/810047202.db2.gz DKUQTZAIFCDPIA-AWEZNQCLSA-N 1 2 345.491 2.008 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H](C)N(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001113895465 810047206 /nfs/dbraw/zinc/04/72/06/810047206.db2.gz DKUQTZAIFCDPIA-AWEZNQCLSA-N 1 2 345.491 2.008 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)OCCCC ZINC001113999403 810170464 /nfs/dbraw/zinc/17/04/64/810170464.db2.gz OTDZODUESUCBGV-MQYQWHSLSA-N 1 2 345.281 2.147 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)OCCCC ZINC001113999403 810170468 /nfs/dbraw/zinc/17/04/68/810170468.db2.gz OTDZODUESUCBGV-MQYQWHSLSA-N 1 2 345.281 2.147 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CN(c3cc[nH+]c(C)n3)CC[C@H]2C)CCC1 ZINC001114039909 810249606 /nfs/dbraw/zinc/24/96/06/810249606.db2.gz ORPUSRYHWHPHEM-GDBMZVCRSA-N 1 2 326.444 2.310 20 30 EEEDLO CC(C)[C@H](CCN(C)C(=O)Cc1c[nH+]c[nH]1)Nc1ccc(C#N)nc1 ZINC001114118868 810377587 /nfs/dbraw/zinc/37/75/87/810377587.db2.gz JLEFEADAQRBIBL-KRWDZBQOSA-N 1 2 340.431 2.204 20 30 EEEDLO C=CCCC(=O)NC1(CNc2nc(N(C)C)nc(C)[nH+]2)CCCCC1 ZINC001114147764 810473420 /nfs/dbraw/zinc/47/34/20/810473420.db2.gz NBUPMRXFPYZXGA-UHFFFAOYSA-N 1 2 346.479 2.443 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[NH2+][C@H](C)c2nnc(C)o2)cc1 ZINC001130371340 811520935 /nfs/dbraw/zinc/52/09/35/811520935.db2.gz NUJIZLHTJOKDSC-GFCCVEGCSA-N 1 2 330.388 2.023 20 30 EEEDLO N#Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)C(F)C(F)(F)F)C2)ccc1F ZINC001436896459 1088547634 /nfs/dbraw/zinc/54/76/34/1088547634.db2.gz XVUXDRIGLOCDOM-GVXVVHGQSA-N 1 2 347.287 2.335 20 30 EEEDLO N#Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](F)C(F)(F)F)C2)ccc1F ZINC001436896459 1088547643 /nfs/dbraw/zinc/54/76/43/1088547643.db2.gz XVUXDRIGLOCDOM-GVXVVHGQSA-N 1 2 347.287 2.335 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)c1cn[nH]c1-c1ccccn1 ZINC001438303618 1090781686 /nfs/dbraw/zinc/78/16/86/1090781686.db2.gz RWYJWEIRUBXHQC-LBPRGKRZSA-N 1 2 333.823 2.322 20 30 EEEDLO C[C@H](C#N)C(=O)N(CC[NH2+][C@H](C)c1csnn1)Cc1ccccc1 ZINC001440130038 1093194215 /nfs/dbraw/zinc/19/42/15/1093194215.db2.gz XCUXVDXTNLWATN-ZIAGYGMSSA-N 1 2 343.456 2.377 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnn2cc(OC)ccc12 ZINC001441009648 1094285612 /nfs/dbraw/zinc/28/56/12/1094285612.db2.gz WQCQVELYNLOUTN-LBPRGKRZSA-N 1 2 336.823 2.146 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnn2cc(OC)ccc12 ZINC001441009648 1094285620 /nfs/dbraw/zinc/28/56/20/1094285620.db2.gz WQCQVELYNLOUTN-LBPRGKRZSA-N 1 2 336.823 2.146 20 30 EEEDLO N#CCSCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC001479898355 1099281282 /nfs/dbraw/zinc/28/12/82/1099281282.db2.gz ZPFBAJZZCWBXJA-HNNXBMFYSA-N 1 2 339.411 2.302 20 30 EEEDLO N#CCSCC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC001479898355 1099281285 /nfs/dbraw/zinc/28/12/85/1099281285.db2.gz ZPFBAJZZCWBXJA-HNNXBMFYSA-N 1 2 339.411 2.302 20 30 EEEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@@]1(C)CCCOC1 ZINC001445067529 1100266383 /nfs/dbraw/zinc/26/63/83/1100266383.db2.gz HFJPQHHMMTUZOG-IBGZPJMESA-N 1 2 347.434 2.404 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@@]1(C)CCCOC1 ZINC001445067529 1100266391 /nfs/dbraw/zinc/26/63/91/1100266391.db2.gz HFJPQHHMMTUZOG-IBGZPJMESA-N 1 2 347.434 2.404 20 30 EEEDLO Cc1noc([C@H](C)[NH2+]C[C@H](CC(C)C)NC(=O)c2cc(C#N)c[nH]2)n1 ZINC001496261814 1100832799 /nfs/dbraw/zinc/83/27/99/1100832799.db2.gz GZNYCDJIGGJVGO-FZMZJTMJSA-N 1 2 344.419 2.073 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cnc3n[nH]nc3c2)C1 ZINC001493957481 1103193357 /nfs/dbraw/zinc/19/33/57/1103193357.db2.gz UJUPKSOHDPEHHE-ZDUSSCGKSA-N 1 2 348.838 2.032 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cnc3n[nH]nc3c2)C1 ZINC001493957481 1103193361 /nfs/dbraw/zinc/19/33/61/1103193361.db2.gz UJUPKSOHDPEHHE-ZDUSSCGKSA-N 1 2 348.838 2.032 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC001494320206 1103892505 /nfs/dbraw/zinc/89/25/05/1103892505.db2.gz QUCIKOGVDUNDHT-HOTGVXAUSA-N 1 2 337.508 2.330 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC001494320206 1103892512 /nfs/dbraw/zinc/89/25/12/1103892512.db2.gz QUCIKOGVDUNDHT-HOTGVXAUSA-N 1 2 337.508 2.330 20 30 EEEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC001459338085 1110149478 /nfs/dbraw/zinc/14/94/78/1110149478.db2.gz VNKKJEZXXKMGBH-IAGOWNOFSA-N 1 2 340.427 2.095 20 30 EEEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC001459338085 1110149480 /nfs/dbraw/zinc/14/94/80/1110149480.db2.gz VNKKJEZXXKMGBH-IAGOWNOFSA-N 1 2 340.427 2.095 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2noc(-c3ccccc3)n2)CCC1 ZINC001501928787 1113527368 /nfs/dbraw/zinc/52/73/68/1113527368.db2.gz YVZOBJHLISDWKU-ZDUSSCGKSA-N 1 2 339.399 2.025 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn(-c2ccccc2)nn1 ZINC001505952840 1114297340 /nfs/dbraw/zinc/29/73/40/1114297340.db2.gz IWFSSAFEUZMINX-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cn(-c2ccccc2)nn1 ZINC001505952840 1114297341 /nfs/dbraw/zinc/29/73/41/1114297341.db2.gz IWFSSAFEUZMINX-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@H]2CCCC[N@@H+]2C)n1CCCOCC ZINC001516322868 1119001309 /nfs/dbraw/zinc/00/13/09/1119001309.db2.gz RIRUSTJNNBEIJX-JKSUJKDBSA-N 1 2 333.480 2.319 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@H]2CCCC[N@H+]2C)n1CCCOCC ZINC001516322868 1119001318 /nfs/dbraw/zinc/00/13/18/1119001318.db2.gz RIRUSTJNNBEIJX-JKSUJKDBSA-N 1 2 333.480 2.319 20 30 EEEDLO C=C(C)Cn1c(CCC)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001524061080 1119975532 /nfs/dbraw/zinc/97/55/32/1119975532.db2.gz HBIAGEYDTALKRZ-UHFFFAOYSA-N 1 2 344.463 2.425 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@]3(C)CCC=CO3)n2CC(C)C)CC1 ZINC001524978302 1120251081 /nfs/dbraw/zinc/25/10/81/1120251081.db2.gz LPHAERUIQJODCZ-IBGZPJMESA-N 1 2 343.475 2.229 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccn(CC(F)(F)F)n2)C1 ZINC001567891851 1124160313 /nfs/dbraw/zinc/16/03/13/1124160313.db2.gz WKUJWRKSDHQLKZ-CYBMUJFWSA-N 1 2 344.381 2.492 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccn(CC(F)(F)F)n2)C1 ZINC001567891851 1124160318 /nfs/dbraw/zinc/16/03/18/1124160318.db2.gz WKUJWRKSDHQLKZ-CYBMUJFWSA-N 1 2 344.381 2.492 20 30 EEEDLO CN(C)S(=O)(=O)c1ccccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000343139510 282165143 /nfs/dbraw/zinc/16/51/43/282165143.db2.gz GNVKDQQNQKSWDY-UHFFFAOYSA-N 1 2 347.415 2.237 20 30 EEEDLO CN1CC[C@@H](O[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)C1=O ZINC000116267655 529796292 /nfs/dbraw/zinc/79/62/92/529796292.db2.gz YYCDHARJZYHSLE-QGZVFWFLSA-N 1 2 339.395 2.133 20 30 EEEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC2(CCOCC2)CC1 ZINC000328901286 539764205 /nfs/dbraw/zinc/76/42/05/539764205.db2.gz YWXWHAMWUWXZCD-MRXNPFEDSA-N 1 2 344.459 2.467 20 30 EEEDLO Cc1cccc(N2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)c1C ZINC000069302873 215375090 /nfs/dbraw/zinc/37/50/90/215375090.db2.gz ZHNZMOSFDJSMTH-HXUWFJFHSA-N 1 2 342.487 2.480 20 30 EEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291783502 238178654 /nfs/dbraw/zinc/17/86/54/238178654.db2.gz MISBSDVEDGABQI-AWEZNQCLSA-N 1 2 341.440 2.384 20 30 EEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291783502 238178656 /nfs/dbraw/zinc/17/86/56/238178656.db2.gz MISBSDVEDGABQI-AWEZNQCLSA-N 1 2 341.440 2.384 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC(C)(C)C#N)c1ccc(F)cc1 ZINC000349699386 238192507 /nfs/dbraw/zinc/19/25/07/238192507.db2.gz ALYTWVRJLAGNAE-AWEZNQCLSA-N 1 2 329.379 2.498 20 30 EEEDLO N#CCCn1cc(CNc2ccc(CO)c[nH+]2)c(-c2ccncc2)n1 ZINC000356312355 238211832 /nfs/dbraw/zinc/21/18/32/238211832.db2.gz CEQITRLPTOURSY-UHFFFAOYSA-N 1 2 334.383 2.358 20 30 EEEDLO CC(C)[C@@H](C(=O)NCc1ccc(C#N)s1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000421926138 240060147 /nfs/dbraw/zinc/06/01/47/240060147.db2.gz WTWPMZZUMSGIJZ-IOASZLSFSA-N 1 2 335.473 2.370 20 30 EEEDLO C=C(C)C(C)(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000424757794 241035419 /nfs/dbraw/zinc/03/54/19/241035419.db2.gz RIOAZOYVJCGUEB-UHFFFAOYSA-N 1 2 330.432 2.010 20 30 EEEDLO C[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000426152237 241223446 /nfs/dbraw/zinc/22/34/46/241223446.db2.gz HMFYGFIDERIIHY-NEPJUHHUSA-N 1 2 336.823 2.442 20 30 EEEDLO C[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)Cn1cc[nH+]c1 ZINC000447508508 242282596 /nfs/dbraw/zinc/28/25/96/242282596.db2.gz KRQNFNDQUUVDEN-CYBMUJFWSA-N 1 2 335.367 2.476 20 30 EEEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000455776137 244076211 /nfs/dbraw/zinc/07/62/11/244076211.db2.gz OLMJSICMSUJHHJ-SFHVURJKSA-N 1 2 341.455 2.060 20 30 EEEDLO CC(C)(CC#N)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000459259228 245051722 /nfs/dbraw/zinc/05/17/22/245051722.db2.gz NMWUBXIQKWXKNG-UHFFFAOYSA-N 1 2 339.443 2.325 20 30 EEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC(C)(C)CC#N ZINC000459473412 245137606 /nfs/dbraw/zinc/13/76/06/245137606.db2.gz WVNZPIIPZAPFPF-UHFFFAOYSA-N 1 2 331.420 2.288 20 30 EEEDLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000268712034 252162794 /nfs/dbraw/zinc/16/27/94/252162794.db2.gz UCVBEYSDPHVGNS-SFHVURJKSA-N 1 2 344.436 2.127 20 30 EEEDLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000268712034 252162795 /nfs/dbraw/zinc/16/27/95/252162795.db2.gz UCVBEYSDPHVGNS-SFHVURJKSA-N 1 2 344.436 2.127 20 30 EEEDLO C#CCNC(=O)c1cccc(-c2noc(Cc3ccc[nH+]c3C)n2)c1 ZINC000491694954 533177927 /nfs/dbraw/zinc/17/79/27/533177927.db2.gz WJWFILNXJVUZPU-UHFFFAOYSA-N 1 2 332.363 2.394 20 30 EEEDLO CCN1CCN(c2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000359990175 285337967 /nfs/dbraw/zinc/33/79/67/285337967.db2.gz BYWXEZDMXXNAFU-HNNXBMFYSA-N 1 2 326.360 2.073 20 30 EEEDLO C[C@H]1CCN(C(=O)Cc2cccc(OCC#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000089852208 533596954 /nfs/dbraw/zinc/59/69/54/533596954.db2.gz YOFABXBNBKKIRL-YJBOKZPZSA-N 1 2 338.411 2.438 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1C#N ZINC000077539492 292189128 /nfs/dbraw/zinc/18/91/28/292189128.db2.gz VYYIPNVVVRMBNU-UHFFFAOYSA-N 1 2 348.472 2.375 20 30 EEEDLO COc1cc(C#N)ccc1OCCSc1[nH+]cnc2c1cnn2C ZINC000077491068 159102303 /nfs/dbraw/zinc/10/23/03/159102303.db2.gz IAGCGSXAQXQAKY-UHFFFAOYSA-N 1 2 341.396 2.415 20 30 EEEDLO C[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000247294141 160318367 /nfs/dbraw/zinc/31/83/67/160318367.db2.gz FEYXYLNJVXHJDU-DZGCQCFKSA-N 1 2 330.413 2.027 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000358944037 164020755 /nfs/dbraw/zinc/02/07/55/164020755.db2.gz BQQKCUKXTGDCEX-MRXNPFEDSA-N 1 2 349.438 2.271 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC([C@H](C)NC(C)=O)CC1 ZINC000360310682 164281795 /nfs/dbraw/zinc/28/17/95/164281795.db2.gz PPGQKENRNRBMTL-SCLBCKFNSA-N 1 2 343.427 2.009 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCCS3)CC2)cc1 ZINC000329776318 270018926 /nfs/dbraw/zinc/01/89/26/270018926.db2.gz NZCYONKGEGVQND-QGZVFWFLSA-N 1 2 344.484 2.485 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000337628018 270019070 /nfs/dbraw/zinc/01/90/70/270019070.db2.gz BLAKZNMVNNIWAK-UHFFFAOYSA-N 1 2 344.434 2.244 20 30 EEEDLO N#Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ccc1F ZINC000532344141 270022409 /nfs/dbraw/zinc/02/24/09/270022409.db2.gz OROBVKSVNWWRQP-UHFFFAOYSA-N 1 2 341.346 2.323 20 30 EEEDLO CCOC(=O)[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@H](C)CC ZINC000411475733 267133499 /nfs/dbraw/zinc/13/34/99/267133499.db2.gz FNVWPAPMFMUNFH-CXAGYDPISA-N 1 2 331.416 2.454 20 30 EEEDLO Cc1cc(S(=O)(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)ccc1C#N ZINC000295312507 267354112 /nfs/dbraw/zinc/35/41/12/267354112.db2.gz OZRIKBNTPXYIMB-HNNXBMFYSA-N 1 2 344.440 2.372 20 30 EEEDLO Cc1ccc([C@@H]2COCC[N@@H+]2C[C@@H](O)COc2ccccc2C#N)o1 ZINC000528385076 268043874 /nfs/dbraw/zinc/04/38/74/268043874.db2.gz VVZYDJWNTKKOKD-SJORKVTESA-N 1 2 342.395 2.273 20 30 EEEDLO Cc1ccc([C@@H]2COCC[N@H+]2C[C@@H](O)COc2ccccc2C#N)o1 ZINC000528385076 268043876 /nfs/dbraw/zinc/04/38/76/268043876.db2.gz VVZYDJWNTKKOKD-SJORKVTESA-N 1 2 342.395 2.273 20 30 EEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(Oc3ccccn3)CC2)cc1 ZINC000437883094 268241540 /nfs/dbraw/zinc/24/15/40/268241540.db2.gz UKWCOBCXANNNOC-UHFFFAOYSA-N 1 2 336.395 2.435 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000521944018 268263440 /nfs/dbraw/zinc/26/34/40/268263440.db2.gz CGZKRJHJCQIRJR-ZACQAIPSSA-N 1 2 325.412 2.118 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000521944018 268263441 /nfs/dbraw/zinc/26/34/41/268263441.db2.gz CGZKRJHJCQIRJR-ZACQAIPSSA-N 1 2 325.412 2.118 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)Cc1[nH+]ccn1C ZINC000536608319 318004328 /nfs/dbraw/zinc/00/43/28/318004328.db2.gz PUVQHOYZARGUIH-LLVKDONJSA-N 1 2 343.456 2.301 20 30 EEEDLO N#Cc1ccc(C(=O)NCC(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)cc1 ZINC000546031355 318242056 /nfs/dbraw/zinc/24/20/56/318242056.db2.gz WPYBXWDWZXNRAY-UHFFFAOYSA-N 1 2 345.362 2.317 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1C#N ZINC000565872598 319221809 /nfs/dbraw/zinc/22/18/09/319221809.db2.gz DKDPPYODTPRHAA-KSMMKXTCSA-N 1 2 344.411 2.113 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1C#N ZINC000565872598 319221812 /nfs/dbraw/zinc/22/18/12/319221812.db2.gz DKDPPYODTPRHAA-KSMMKXTCSA-N 1 2 344.411 2.113 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COCC3CCCC3)CC2)cc1 ZINC000576112265 320142307 /nfs/dbraw/zinc/14/23/07/320142307.db2.gz SAPHTGXRWLEIES-UHFFFAOYSA-N 1 2 341.455 2.409 20 30 EEEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000184803646 323427367 /nfs/dbraw/zinc/42/73/67/323427367.db2.gz BGZIVTOBDGBIPE-ZDUSSCGKSA-N 1 2 334.383 2.393 20 30 EEEDLO C=CCN(CCOC)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000358286266 465039285 /nfs/dbraw/zinc/03/92/85/465039285.db2.gz GSGKBDJFGGQQND-INIZCTEOSA-N 1 2 346.406 2.493 20 30 EEEDLO CO[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1(C)C ZINC000296079880 465074710 /nfs/dbraw/zinc/07/47/10/465074710.db2.gz PVKXTWPJVFTFCP-MRXNPFEDSA-N 1 2 336.457 2.079 20 30 EEEDLO CO[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1(C)C ZINC000296079880 465074714 /nfs/dbraw/zinc/07/47/14/465074714.db2.gz PVKXTWPJVFTFCP-MRXNPFEDSA-N 1 2 336.457 2.079 20 30 EEEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2coc(C3CCCC3)n2)CC1 ZINC000328713940 465108123 /nfs/dbraw/zinc/10/81/23/465108123.db2.gz SESJPUJVKSIRMJ-UHFFFAOYSA-N 1 2 348.447 2.457 20 30 EEEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2coc(C3CCCC3)n2)CC1 ZINC000328713940 465108128 /nfs/dbraw/zinc/10/81/28/465108128.db2.gz SESJPUJVKSIRMJ-UHFFFAOYSA-N 1 2 348.447 2.457 20 30 EEEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC(OCC2CC2)CC1 ZINC000328777978 465125755 /nfs/dbraw/zinc/12/57/55/465125755.db2.gz GAJPZHHTHFTWQS-MRXNPFEDSA-N 1 2 344.459 2.465 20 30 EEEDLO C[C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CCO1 ZINC000328802521 465133690 /nfs/dbraw/zinc/13/36/90/465133690.db2.gz ZZPBQOYRVHGCAI-CJNGLKHVSA-N 1 2 348.447 2.105 20 30 EEEDLO C[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CCO1 ZINC000328802521 465133698 /nfs/dbraw/zinc/13/36/98/465133698.db2.gz ZZPBQOYRVHGCAI-CJNGLKHVSA-N 1 2 348.447 2.105 20 30 EEEDLO CCCCn1cc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c(C)n1 ZINC000358649485 465241133 /nfs/dbraw/zinc/24/11/33/465241133.db2.gz MBOZIAZXKOKWEM-KRWDZBQOSA-N 1 2 325.416 2.180 20 30 EEEDLO Cn1c[nH+]cc1COc1ccc(C#N)cc1I ZINC000337223053 465252847 /nfs/dbraw/zinc/25/28/47/465252847.db2.gz MIIMVESBIGDHGW-UHFFFAOYSA-N 1 2 339.136 2.475 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000337232875 465258386 /nfs/dbraw/zinc/25/83/86/465258386.db2.gz VYCIUYPJLXPKAD-BXUZGUMPSA-N 1 2 341.814 2.110 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2[C@@H](C(=O)OC)CC[C@@H]2c2ccccc2)C1=O ZINC000337248647 465266901 /nfs/dbraw/zinc/26/69/01/465266901.db2.gz PRPIYZNKWJDPFK-IXDOHACOSA-N 1 2 328.412 2.152 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2[C@@H](C(=O)OC)CC[C@@H]2c2ccccc2)C1=O ZINC000337248647 465266907 /nfs/dbraw/zinc/26/69/07/465266907.db2.gz PRPIYZNKWJDPFK-IXDOHACOSA-N 1 2 328.412 2.152 20 30 EEEDLO O=C(NC[C@@H]1CCCn2ccnc21)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329315130 465297006 /nfs/dbraw/zinc/29/70/06/465297006.db2.gz CQNLJQLALYHEJH-HOCLYGCPSA-N 1 2 332.448 2.360 20 30 EEEDLO O=C(NC[C@@H]1CCCn2ccnc21)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329315130 465297009 /nfs/dbraw/zinc/29/70/09/465297009.db2.gz CQNLJQLALYHEJH-HOCLYGCPSA-N 1 2 332.448 2.360 20 30 EEEDLO Cc1c(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cnn1C1CCCCC1 ZINC000329362112 465311929 /nfs/dbraw/zinc/31/19/29/465311929.db2.gz YTTRRJPCXCCJRF-MRXNPFEDSA-N 1 2 331.464 2.001 20 30 EEEDLO O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329448738 465336822 /nfs/dbraw/zinc/33/68/22/465336822.db2.gz MMHKXUSWIIFQKN-HZPDHXFCSA-N 1 2 346.427 2.426 20 30 EEEDLO O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329448738 465336827 /nfs/dbraw/zinc/33/68/27/465336827.db2.gz MMHKXUSWIIFQKN-HZPDHXFCSA-N 1 2 346.427 2.426 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000358838718 465351052 /nfs/dbraw/zinc/35/10/52/465351052.db2.gz RFKBLOYBTXGESF-UHFFFAOYSA-N 1 2 339.380 2.248 20 30 EEEDLO Cc1cc(S(=O)(=O)N2CC[NH+](CCCCC#N)CC2)c(C)s1 ZINC000060366494 462543726 /nfs/dbraw/zinc/54/37/26/462543726.db2.gz HZMUEOOHRGZWTF-UHFFFAOYSA-N 1 2 341.502 2.365 20 30 EEEDLO C[C@H](C#N)CN(C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000045532785 462595922 /nfs/dbraw/zinc/59/59/22/462595922.db2.gz MGCTTZTWINIABG-OAHLLOKOSA-N 1 2 325.416 2.275 20 30 EEEDLO COCC[N@H+](CCC#N)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000154259414 462747030 /nfs/dbraw/zinc/74/70/30/462747030.db2.gz UKDHQYYUGSVGFC-HNNXBMFYSA-N 1 2 330.350 2.471 20 30 EEEDLO COCC[N@@H+](CCC#N)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000154259414 462747031 /nfs/dbraw/zinc/74/70/31/462747031.db2.gz UKDHQYYUGSVGFC-HNNXBMFYSA-N 1 2 330.350 2.471 20 30 EEEDLO N#CCCn1ccc(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000118893791 462861288 /nfs/dbraw/zinc/86/12/88/462861288.db2.gz XXTXNZPWSHDXHQ-UHFFFAOYSA-N 1 2 339.403 2.114 20 30 EEEDLO COc1ccc([C@@H](CNc2ccc(C#N)cn2)[NH+]2CCOCC2)cc1 ZINC000012773392 462867279 /nfs/dbraw/zinc/86/72/79/462867279.db2.gz ADUIBACOYGCGNO-GOSISDBHSA-N 1 2 338.411 2.447 20 30 EEEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000155276822 462868884 /nfs/dbraw/zinc/86/88/84/462868884.db2.gz PUCREDDZLZPKKR-SUMWQHHRSA-N 1 2 331.416 2.291 20 30 EEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000155276822 462868886 /nfs/dbraw/zinc/86/88/86/462868886.db2.gz PUCREDDZLZPKKR-SUMWQHHRSA-N 1 2 331.416 2.291 20 30 EEEDLO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c2[nH+]ccn21 ZINC000590763368 468332204 /nfs/dbraw/zinc/33/22/04/468332204.db2.gz NQUZVEANKYNGQN-ZANVPECISA-N 1 2 336.804 2.392 20 30 EEEDLO Cc1oc(NC(=O)CN2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000156432825 463024214 /nfs/dbraw/zinc/02/42/14/463024214.db2.gz LHUCUYOWCOGRQK-MLGOLLRUSA-N 1 2 341.415 2.486 20 30 EEEDLO CC(C)Cc1noc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000022843285 463057289 /nfs/dbraw/zinc/05/72/89/463057289.db2.gz FOSRQSXKUYMKAF-UHFFFAOYSA-N 1 2 339.443 2.458 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2cccs2)CC1 ZINC000121259626 463105469 /nfs/dbraw/zinc/10/54/69/463105469.db2.gz SEPYLOVFPWZHON-PBHICJAKSA-N 1 2 334.489 2.313 20 30 EEEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000590782627 468337284 /nfs/dbraw/zinc/33/72/84/468337284.db2.gz JEOJNROJFADRQO-GOSISDBHSA-N 1 2 348.406 2.108 20 30 EEEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000590782627 468337286 /nfs/dbraw/zinc/33/72/86/468337286.db2.gz JEOJNROJFADRQO-GOSISDBHSA-N 1 2 348.406 2.108 20 30 EEEDLO CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000025509278 463128552 /nfs/dbraw/zinc/12/85/52/463128552.db2.gz GZMWUJJNTUKZEO-LBPRGKRZSA-N 1 2 347.415 2.370 20 30 EEEDLO C[C@H](NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000158164210 463211845 /nfs/dbraw/zinc/21/18/45/463211845.db2.gz DHOBCNYPDVJXAC-ZDUSSCGKSA-N 1 2 339.395 2.136 20 30 EEEDLO N#Cc1ccc(CCC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000028694143 463230765 /nfs/dbraw/zinc/23/07/65/463230765.db2.gz QWDWCKXFFOFQNT-UHFFFAOYSA-N 1 2 334.423 2.230 20 30 EEEDLO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029859746 463275732 /nfs/dbraw/zinc/27/57/32/463275732.db2.gz RLPCYRFNNUUYHB-UONOGXRCSA-N 1 2 332.423 2.123 20 30 EEEDLO Cc1noc([C@@H](C)N2CC[NH+](CCOc3ccccc3C#N)CC2)n1 ZINC000069630552 463291076 /nfs/dbraw/zinc/29/10/76/463291076.db2.gz VADYFPNAFWCEKX-CQSZACIVSA-N 1 2 341.415 2.007 20 30 EEEDLO O=C(C#Cc1ccccc1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000080499996 463325899 /nfs/dbraw/zinc/32/58/99/463325899.db2.gz DBHMCWUYSQWQGI-HXUWFJFHSA-N 1 2 334.419 2.055 20 30 EEEDLO O=C(C#Cc1ccccc1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000080499996 463325901 /nfs/dbraw/zinc/32/59/01/463325901.db2.gz DBHMCWUYSQWQGI-HXUWFJFHSA-N 1 2 334.419 2.055 20 30 EEEDLO N#CC1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCC1 ZINC000032250942 463368491 /nfs/dbraw/zinc/36/84/91/463368491.db2.gz PGOXYWPFKXCQGB-KRWDZBQOSA-N 1 2 327.428 2.088 20 30 EEEDLO N#CC1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCC1 ZINC000032250942 463368496 /nfs/dbraw/zinc/36/84/96/463368496.db2.gz PGOXYWPFKXCQGB-KRWDZBQOSA-N 1 2 327.428 2.088 20 30 EEEDLO N#Cc1cccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000032248471 463368815 /nfs/dbraw/zinc/36/88/15/463368815.db2.gz WNSMASIZXMVTJS-LJQANCHMSA-N 1 2 335.407 2.189 20 30 EEEDLO N#Cc1cccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000032248471 463368818 /nfs/dbraw/zinc/36/88/18/463368818.db2.gz WNSMASIZXMVTJS-LJQANCHMSA-N 1 2 335.407 2.189 20 30 EEEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000032797568 463395295 /nfs/dbraw/zinc/39/52/95/463395295.db2.gz IJSGRUJQLSRZPB-UHFFFAOYSA-N 1 2 341.436 2.065 20 30 EEEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000081512515 463451145 /nfs/dbraw/zinc/45/11/45/463451145.db2.gz NFGLLFKOQZVKIM-UHFFFAOYSA-N 1 2 339.420 2.336 20 30 EEEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000081512515 463451149 /nfs/dbraw/zinc/45/11/49/463451149.db2.gz NFGLLFKOQZVKIM-UHFFFAOYSA-N 1 2 339.420 2.336 20 30 EEEDLO C=CC[N@@H+](C[C@@H](O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000072629674 463526562 /nfs/dbraw/zinc/52/65/62/463526562.db2.gz DNCPMKHVMIXNFW-HUUCEWRRSA-N 1 2 329.849 2.049 20 30 EEEDLO C=CC[N@H+](C[C@@H](O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000072629674 463526567 /nfs/dbraw/zinc/52/65/67/463526567.db2.gz DNCPMKHVMIXNFW-HUUCEWRRSA-N 1 2 329.849 2.049 20 30 EEEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3nc(C)no3)CC2)cc1 ZINC000125299597 463527614 /nfs/dbraw/zinc/52/76/14/463527614.db2.gz IAPPNCFOKTUUCF-UHFFFAOYSA-N 1 2 328.416 2.261 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000083216946 463541047 /nfs/dbraw/zinc/54/10/47/463541047.db2.gz GZICZUJDAHHEKD-QAPCUYQASA-N 1 2 338.411 2.070 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000083216946 463541050 /nfs/dbraw/zinc/54/10/50/463541050.db2.gz GZICZUJDAHHEKD-QAPCUYQASA-N 1 2 338.411 2.070 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(NC=O)cc3)CC2)cc1 ZINC000072813345 463547921 /nfs/dbraw/zinc/54/79/21/463547921.db2.gz DSMSRILBGHVENN-UHFFFAOYSA-N 1 2 348.406 2.085 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000164730155 463630945 /nfs/dbraw/zinc/63/09/45/463630945.db2.gz WPDCYKSOLMJBRA-QGZVFWFLSA-N 1 2 342.487 2.434 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COC3CCCC3)CC2)cc1 ZINC000044315009 463674534 /nfs/dbraw/zinc/67/45/34/463674534.db2.gz SBJRUHFYQRVTAG-UHFFFAOYSA-N 1 2 327.428 2.162 20 30 EEEDLO N#CCCCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000170886549 463732384 /nfs/dbraw/zinc/73/23/84/463732384.db2.gz YTIXSHKPDDGRGO-AWEZNQCLSA-N 1 2 336.461 2.114 20 30 EEEDLO C=CCN1CC[C@@H](N(C)c2[nH+]cnc3c2cnn3-c2ccccc2)C1=O ZINC000540985252 468374079 /nfs/dbraw/zinc/37/40/79/468374079.db2.gz RTWMIODPWIZLSV-MRXNPFEDSA-N 1 2 348.410 2.039 20 30 EEEDLO C[NH+](C)CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000171178981 463804290 /nfs/dbraw/zinc/80/42/90/463804290.db2.gz ZKKMQWDIBCMQKK-UHFFFAOYSA-N 1 2 333.442 2.202 20 30 EEEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000268937764 463815457 /nfs/dbraw/zinc/81/54/57/463815457.db2.gz CUXOAJCCUCVJPP-PCRVIDNCSA-N 1 2 333.388 2.097 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000579583912 468380272 /nfs/dbraw/zinc/38/02/72/468380272.db2.gz RKWJKWMMHWLWIE-AWEZNQCLSA-N 1 2 339.399 2.441 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000579583912 468380274 /nfs/dbraw/zinc/38/02/74/468380274.db2.gz RKWJKWMMHWLWIE-AWEZNQCLSA-N 1 2 339.399 2.441 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000579583912 468380278 /nfs/dbraw/zinc/38/02/78/468380278.db2.gz RKWJKWMMHWLWIE-AWEZNQCLSA-N 1 2 339.399 2.441 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000579583912 468380280 /nfs/dbraw/zinc/38/02/80/468380280.db2.gz RKWJKWMMHWLWIE-AWEZNQCLSA-N 1 2 339.399 2.441 20 30 EEEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000178140597 463851295 /nfs/dbraw/zinc/85/12/95/463851295.db2.gz QAEFFPKHMDPQNF-WOSRLPQWSA-N 1 2 333.432 2.416 20 30 EEEDLO CN(Cc1ccco1)C(=O)CO[NH+]=C(N)Cc1ccccc1Cl ZINC000178148560 463853719 /nfs/dbraw/zinc/85/37/19/463853719.db2.gz NISGLJDXFBOHNZ-UHFFFAOYSA-N 1 2 335.791 2.423 20 30 EEEDLO CCC1(CC)C[N@@H+]([C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CCS1 ZINC000329784258 465434502 /nfs/dbraw/zinc/43/45/02/465434502.db2.gz VUMQDTHOPZTCTF-CHWSQXEVSA-N 1 2 348.534 2.126 20 30 EEEDLO CCC1(CC)C[N@H+]([C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CCS1 ZINC000329784258 465434506 /nfs/dbraw/zinc/43/45/06/465434506.db2.gz VUMQDTHOPZTCTF-CHWSQXEVSA-N 1 2 348.534 2.126 20 30 EEEDLO CCc1cc(N)nc(S[C@H](C)C(=O)NC2(C#N)CCCCC2)[nH+]1 ZINC000279089618 464036707 /nfs/dbraw/zinc/03/67/07/464036707.db2.gz NGYUHUQEJDIDIK-LLVKDONJSA-N 1 2 333.461 2.444 20 30 EEEDLO C#C[C@H](NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)C(C)(C)C ZINC000288453796 464045725 /nfs/dbraw/zinc/04/57/25/464045725.db2.gz FWEJCIYXRYOTTQ-HOCLYGCPSA-N 1 2 344.459 2.154 20 30 EEEDLO N#CCOc1cccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000269869862 464117204 /nfs/dbraw/zinc/11/72/04/464117204.db2.gz RPUFWKISNFMBIQ-HNNXBMFYSA-N 1 2 337.383 2.384 20 30 EEEDLO C[C@@H]([NH2+][C@H](C)c1nnc2ccccn21)C(=O)NC1(C#N)CCCCC1 ZINC000172613678 464117431 /nfs/dbraw/zinc/11/74/31/464117431.db2.gz CYOJWHFMTNXJHV-ZIAGYGMSSA-N 1 2 340.431 2.111 20 30 EEEDLO C=CCCCCNC(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000284257257 464126988 /nfs/dbraw/zinc/12/69/88/464126988.db2.gz QGFJKZIXJYJLAK-UHFFFAOYSA-N 1 2 344.459 2.161 20 30 EEEDLO NC(=[NH+]OCC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000284418446 464184643 /nfs/dbraw/zinc/18/46/43/464184643.db2.gz OAPWTTVSBHOXDM-NSHDSACASA-N 1 2 331.294 2.112 20 30 EEEDLO C#CC[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000270232408 464227073 /nfs/dbraw/zinc/22/70/73/464227073.db2.gz INTUNBIRVRFWRW-RBUKOAKNSA-N 1 2 341.455 2.257 20 30 EEEDLO C[C@@H](c1cccc(NC(=O)N2CC(C)(C#N)C2)c1)[NH+]1CCOCC1 ZINC000284877648 464377662 /nfs/dbraw/zinc/37/76/62/464377662.db2.gz QJNWBKMDDYUNIZ-AWEZNQCLSA-N 1 2 328.416 2.457 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2O)CC1 ZINC000271874784 464397624 /nfs/dbraw/zinc/39/76/24/464397624.db2.gz OZWYUMXWWJWJEL-UHFFFAOYSA-N 1 2 326.318 2.192 20 30 EEEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000293917163 464426477 /nfs/dbraw/zinc/42/64/77/464426477.db2.gz XNHGPEMOPZDKAR-XJKSGUPXSA-N 1 2 328.372 2.045 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2c(C)cccc2C)C1=O ZINC000281370424 464430562 /nfs/dbraw/zinc/43/05/62/464430562.db2.gz OMOYDVWVXGHOMY-JKSUJKDBSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2c(C)cccc2C)C1=O ZINC000281370424 464430566 /nfs/dbraw/zinc/43/05/66/464430566.db2.gz OMOYDVWVXGHOMY-JKSUJKDBSA-N 1 2 329.444 2.349 20 30 EEEDLO C[C@@H](Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000272067154 464465963 /nfs/dbraw/zinc/46/59/63/464465963.db2.gz UUCXDBSODCWWKP-OAHLLOKOSA-N 1 2 325.416 2.260 20 30 EEEDLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)nn1CCC#N ZINC000272070134 464467135 /nfs/dbraw/zinc/46/71/35/464467135.db2.gz KGOOCTPPWNIQHN-HIFRSBDPSA-N 1 2 341.419 2.417 20 30 EEEDLO C=CCNC(=O)CNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000181652372 464517752 /nfs/dbraw/zinc/51/77/52/464517752.db2.gz BXKMMAWFEQQQAM-UHFFFAOYSA-N 1 2 325.368 2.214 20 30 EEEDLO CCn1ncnc1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285475025 464578876 /nfs/dbraw/zinc/57/88/76/464578876.db2.gz KXZKRYAOEFMAAR-UHFFFAOYSA-N 1 2 329.379 2.352 20 30 EEEDLO C=CCOc1ccc(CC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000295169912 464730776 /nfs/dbraw/zinc/73/07/76/464730776.db2.gz AKCJMVWSAITQEH-FUHWJXTLSA-N 1 2 344.455 2.116 20 30 EEEDLO C#CC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)C1CC1 ZINC000274148765 464735462 /nfs/dbraw/zinc/73/54/62/464735462.db2.gz KRGRJUNHIPROQL-UHFFFAOYSA-N 1 2 326.375 2.356 20 30 EEEDLO C#CC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)C1CC1 ZINC000274148765 464735468 /nfs/dbraw/zinc/73/54/68/464735468.db2.gz KRGRJUNHIPROQL-UHFFFAOYSA-N 1 2 326.375 2.356 20 30 EEEDLO CC(C)(CC#N)CS(=O)(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000295212759 464747518 /nfs/dbraw/zinc/74/75/18/464747518.db2.gz POBRMMSDEGOMBY-UHFFFAOYSA-N 1 2 336.461 2.041 20 30 EEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1nc2c(cc1C#N)CCCC2 ZINC000286188345 464832988 /nfs/dbraw/zinc/83/29/88/464832988.db2.gz AVYKDQKARRMFMC-YOEHRIQHSA-N 1 2 326.444 2.131 20 30 EEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@@]1(C)CCCOC1 ZINC000329955027 465487344 /nfs/dbraw/zinc/48/73/44/465487344.db2.gz ORNQUVIYLFMKRM-ZQIUZPCESA-N 1 2 338.427 2.106 20 30 EEEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)C1=O ZINC000177016578 464907441 /nfs/dbraw/zinc/90/74/41/464907441.db2.gz YDCMXMJWMDTJPL-UKRRQHHQSA-N 1 2 341.440 2.328 20 30 EEEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](c3cc[nH]n3)C2)C1=O ZINC000177016578 464907448 /nfs/dbraw/zinc/90/74/48/464907448.db2.gz YDCMXMJWMDTJPL-UKRRQHHQSA-N 1 2 341.440 2.328 20 30 EEEDLO N#C[C@H](C(=O)C[N@@H+]1CCC2(CCC2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000268202628 464970245 /nfs/dbraw/zinc/97/02/45/464970245.db2.gz IFPFMAPQZAIWNA-CQSZACIVSA-N 1 2 336.395 2.388 20 30 EEEDLO N#C[C@H](C(=O)C[N@H+]1CCC2(CCC2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000268202628 464970252 /nfs/dbraw/zinc/97/02/52/464970252.db2.gz IFPFMAPQZAIWNA-CQSZACIVSA-N 1 2 336.395 2.388 20 30 EEEDLO C=C(C)CS(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000184395456 464972237 /nfs/dbraw/zinc/97/22/37/464972237.db2.gz QDUZIKUYODLOCA-UHFFFAOYSA-N 1 2 344.427 2.425 20 30 EEEDLO C#CC[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccccc1 ZINC000286698314 465008981 /nfs/dbraw/zinc/00/89/81/465008981.db2.gz LKUDKXCPCZPEDX-UHOSZYNNSA-N 1 2 341.455 2.256 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1C(=O)OCC ZINC000184686830 465018851 /nfs/dbraw/zinc/01/88/51/465018851.db2.gz IBJRBSLKPQULGR-DLBZAZTESA-N 1 2 333.428 2.182 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(=O)OCC ZINC000184686830 465018853 /nfs/dbraw/zinc/01/88/53/465018853.db2.gz IBJRBSLKPQULGR-DLBZAZTESA-N 1 2 333.428 2.182 20 30 EEEDLO CC(C)Oc1cc(F)ccc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329434399 465332010 /nfs/dbraw/zinc/33/20/10/465332010.db2.gz LCVGPWFREUORQN-GOEBONIOSA-N 1 2 337.395 2.173 20 30 EEEDLO CC(C)Oc1cc(F)ccc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329434399 465332018 /nfs/dbraw/zinc/33/20/18/465332018.db2.gz LCVGPWFREUORQN-GOEBONIOSA-N 1 2 337.395 2.173 20 30 EEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC000329918844 465473660 /nfs/dbraw/zinc/47/36/60/465473660.db2.gz CXTYEJNOVWYDPJ-YDHLFZDLSA-N 1 2 325.384 2.339 20 30 EEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC000329918844 465473668 /nfs/dbraw/zinc/47/36/68/465473668.db2.gz CXTYEJNOVWYDPJ-YDHLFZDLSA-N 1 2 325.384 2.339 20 30 EEEDLO O=C(NCCNc1cccc[nH+]1)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000330218228 465573906 /nfs/dbraw/zinc/57/39/06/465573906.db2.gz JDECJPXHYYCEDV-CZUORRHYSA-N 1 2 336.461 2.052 20 30 EEEDLO O=C(N[C@@H]1CCOC2(CCOCC2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330234087 465580097 /nfs/dbraw/zinc/58/00/97/465580097.db2.gz SKXZZQCDRGQETQ-HUUCEWRRSA-N 1 2 348.447 2.231 20 30 EEEDLO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330322527 465612119 /nfs/dbraw/zinc/61/21/19/465612119.db2.gz SNWFJJLPWITZGH-SOUVJXGZSA-N 1 2 332.448 2.439 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CCO1 ZINC000330336977 465618438 /nfs/dbraw/zinc/61/84/38/465618438.db2.gz SVLHJZOQYDWVKL-GUTXKFCHSA-N 1 2 348.447 2.244 20 30 EEEDLO C[C@@H]1CCC[C@H](CNC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C1 ZINC000330334782 465618768 /nfs/dbraw/zinc/61/87/68/465618768.db2.gz QYZSWGBSGSJNSS-PMPSAXMXSA-N 1 2 333.480 2.449 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000330685934 465761456 /nfs/dbraw/zinc/76/14/56/465761456.db2.gz AMDSBUUTIQVXBG-UHFFFAOYSA-N 1 2 330.432 2.145 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000330685934 465761461 /nfs/dbraw/zinc/76/14/61/465761461.db2.gz AMDSBUUTIQVXBG-UHFFFAOYSA-N 1 2 330.432 2.145 20 30 EEEDLO CCc1ccccc1NC(=O)C[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000299679886 465854091 /nfs/dbraw/zinc/85/40/91/465854091.db2.gz RCUZGFOOECGSEL-UHFFFAOYSA-N 1 2 349.438 2.276 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)CCC2 ZINC000366707597 465890695 /nfs/dbraw/zinc/89/06/95/465890695.db2.gz YAXZVMMMCDLDFE-INIZCTEOSA-N 1 2 344.440 2.060 20 30 EEEDLO COc1cccc(C(=O)N2CC[NH+](CCC(C)(C)C#N)CC2)c1OC ZINC000345703902 465894259 /nfs/dbraw/zinc/89/42/59/465894259.db2.gz CBOOVELUPKQAGE-UHFFFAOYSA-N 1 2 345.443 2.401 20 30 EEEDLO CCC(CC)[C@@H](C(=O)NCC#Cc1cccc(F)c1)[NH+]1CCOCC1 ZINC000338239186 465930738 /nfs/dbraw/zinc/93/07/38/465930738.db2.gz GSKUZDPIZMUIJM-IBGZPJMESA-N 1 2 346.446 2.430 20 30 EEEDLO Cc1sc(NC(=O)C[NH+]2CCC(O)(C(F)F)CC2)c(C#N)c1C ZINC000331138240 465951672 /nfs/dbraw/zinc/95/16/72/465951672.db2.gz JIPYQKIIVSXRBA-UHFFFAOYSA-N 1 2 343.399 2.267 20 30 EEEDLO COCC[N@@H+](Cc1cn2ccccc2c1C#N)C[C@@H](O)C(F)(F)F ZINC000594018077 468463035 /nfs/dbraw/zinc/46/30/35/468463035.db2.gz QWSPMUSZEAZJJT-OAHLLOKOSA-N 1 2 341.333 2.183 20 30 EEEDLO COCC[N@H+](Cc1cn2ccccc2c1C#N)C[C@@H](O)C(F)(F)F ZINC000594018077 468463039 /nfs/dbraw/zinc/46/30/39/468463039.db2.gz QWSPMUSZEAZJJT-OAHLLOKOSA-N 1 2 341.333 2.183 20 30 EEEDLO Cn1cc(C[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1C#N ZINC000361507493 466056110 /nfs/dbraw/zinc/05/61/10/466056110.db2.gz DXWZOGXDBAUOTP-UHFFFAOYSA-N 1 2 344.365 2.133 20 30 EEEDLO C#C[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1)C(C)C ZINC000366991924 466059671 /nfs/dbraw/zinc/05/96/71/466059671.db2.gz VCEAUSVUDPASIX-IRXDYDNUSA-N 1 2 340.427 2.475 20 30 EEEDLO N#CCCOCC[NH+]1CCN(Cc2nc3ccccc3s2)CC1 ZINC000555404669 468474853 /nfs/dbraw/zinc/47/48/53/468474853.db2.gz JGQOSQKNVJGGKI-UHFFFAOYSA-N 1 2 330.457 2.344 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)c3ccncc3)CC2)c1 ZINC000362990102 466162853 /nfs/dbraw/zinc/16/28/53/466162853.db2.gz RXGCWORXUGLICZ-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)c3ccncc3)CC2)c1 ZINC000362990102 466162857 /nfs/dbraw/zinc/16/28/57/466162857.db2.gz RXGCWORXUGLICZ-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1-c1cccc(Cl)c1 ZINC000580452612 468477855 /nfs/dbraw/zinc/47/78/55/468477855.db2.gz AHMMIETVKMLFRT-QGZVFWFLSA-N 1 2 345.834 2.408 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1nc(-c2ccc(F)cc2)cs1 ZINC000580650249 468480886 /nfs/dbraw/zinc/48/08/86/468480886.db2.gz UZUFYQQDANRGJW-KRWDZBQOSA-N 1 2 346.431 2.452 20 30 EEEDLO CSc1ccccc1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000347423454 466625825 /nfs/dbraw/zinc/62/58/25/466625825.db2.gz OMBPGKRFNQVAGU-UHFFFAOYSA-N 1 2 347.484 2.025 20 30 EEEDLO CCc1[nH+]c2cc(CNS(=O)(=O)[C@H](C)C#N)ccc2n1C1CC1 ZINC000416478477 466737363 /nfs/dbraw/zinc/73/73/63/466737363.db2.gz BLQHIMKIPQUXCS-LLVKDONJSA-N 1 2 332.429 2.265 20 30 EEEDLO Cn1cccc1[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000411549538 466843755 /nfs/dbraw/zinc/84/37/55/466843755.db2.gz HIZKVECDJVIZSD-SFHVURJKSA-N 1 2 338.411 2.299 20 30 EEEDLO Cn1cccc1[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000411549538 466843757 /nfs/dbraw/zinc/84/37/57/466843757.db2.gz HIZKVECDJVIZSD-SFHVURJKSA-N 1 2 338.411 2.299 20 30 EEEDLO COC(=O)[C@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000412059504 466988729 /nfs/dbraw/zinc/98/87/29/466988729.db2.gz CPCCTRWDKUCERH-KZULUSFZSA-N 1 2 347.415 2.370 20 30 EEEDLO COC(=O)[C@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000412059504 466988733 /nfs/dbraw/zinc/98/87/33/466988733.db2.gz CPCCTRWDKUCERH-KZULUSFZSA-N 1 2 347.415 2.370 20 30 EEEDLO CCN1CCN(C(=O)NCC(C)(C)CCC#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000377035541 467004313 /nfs/dbraw/zinc/00/43/13/467004313.db2.gz SFCFZETXVKCHQX-AWEZNQCLSA-N 1 2 332.452 2.128 20 30 EEEDLO N#Cc1cnc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c(F)c1 ZINC000413032913 467158457 /nfs/dbraw/zinc/15/84/57/467158457.db2.gz LFJWVFXEEFYOCX-UHFFFAOYSA-N 1 2 336.374 2.062 20 30 EEEDLO COC1(C(F)(F)F)CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000419327517 467189313 /nfs/dbraw/zinc/18/93/13/467189313.db2.gz MUAUJETVICTPGO-ZDUSSCGKSA-N 1 2 335.370 2.084 20 30 EEEDLO N#Cc1ccc(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)cc1F ZINC000450903475 467202605 /nfs/dbraw/zinc/20/26/05/467202605.db2.gz CRUOXHZXCQGZQG-AWEZNQCLSA-N 1 2 341.390 2.308 20 30 EEEDLO N#Cc1ccc(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)cc1F ZINC000450903475 467202608 /nfs/dbraw/zinc/20/26/08/467202608.db2.gz CRUOXHZXCQGZQG-AWEZNQCLSA-N 1 2 341.390 2.308 20 30 EEEDLO CCN1CCN(c2cc(C)c([N+](=O)[O-])cc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000413273542 467203312 /nfs/dbraw/zinc/20/33/12/467203312.db2.gz VNFYQYSPRGINOI-INIZCTEOSA-N 1 2 340.387 2.381 20 30 EEEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000451021579 467227753 /nfs/dbraw/zinc/22/77/53/467227753.db2.gz DZCJWHPYQJFCOZ-UHFFFAOYSA-N 1 2 332.407 2.359 20 30 EEEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000451021579 467227757 /nfs/dbraw/zinc/22/77/57/467227757.db2.gz DZCJWHPYQJFCOZ-UHFFFAOYSA-N 1 2 332.407 2.359 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000378272568 467248696 /nfs/dbraw/zinc/24/86/96/467248696.db2.gz YKPZJSCCQXCAHM-HNNXBMFYSA-N 1 2 338.411 2.465 20 30 EEEDLO CCN1CCN(C(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433108948 467293177 /nfs/dbraw/zinc/29/31/77/467293177.db2.gz IWRPRKYCXJMNAG-CQSZACIVSA-N 1 2 345.353 2.079 20 30 EEEDLO CCN1CCN(C(=O)CCc2ccc(C#N)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433118340 467294629 /nfs/dbraw/zinc/29/46/29/467294629.db2.gz WUKSEKVRUMIZMZ-QGZVFWFLSA-N 1 2 337.427 2.119 20 30 EEEDLO C[N@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)CC(C)(C)C#N ZINC000433294102 467315954 /nfs/dbraw/zinc/31/59/54/467315954.db2.gz JROCMKNPNWNTJP-INIZCTEOSA-N 1 2 328.460 2.111 20 30 EEEDLO C[N@@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)CC(C)(C)C#N ZINC000433294102 467315956 /nfs/dbraw/zinc/31/59/56/467315956.db2.gz JROCMKNPNWNTJP-INIZCTEOSA-N 1 2 328.460 2.111 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1nncn1C(C)C ZINC000429293688 467321812 /nfs/dbraw/zinc/32/18/12/467321812.db2.gz OCXCAKOQAVAVRY-KRWDZBQOSA-N 1 2 344.459 2.459 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1nncn1C(C)C ZINC000429293688 467321815 /nfs/dbraw/zinc/32/18/15/467321815.db2.gz OCXCAKOQAVAVRY-KRWDZBQOSA-N 1 2 344.459 2.459 20 30 EEEDLO Cc1ccccc1-n1ccnc1SC[C@H](O)C[N@H+](C)CCC#N ZINC000414092812 467376317 /nfs/dbraw/zinc/37/63/17/467376317.db2.gz GUIURFSVUUBHHI-OAHLLOKOSA-N 1 2 330.457 2.479 20 30 EEEDLO Cc1ccccc1-n1ccnc1SC[C@H](O)C[N@@H+](C)CCC#N ZINC000414092812 467376320 /nfs/dbraw/zinc/37/63/20/467376320.db2.gz GUIURFSVUUBHHI-OAHLLOKOSA-N 1 2 330.457 2.479 20 30 EEEDLO Cc1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1Br ZINC000414153286 467384161 /nfs/dbraw/zinc/38/41/61/467384161.db2.gz ZBTKMAADNOWQQF-LBPRGKRZSA-N 1 2 327.222 2.343 20 30 EEEDLO Cc1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1Br ZINC000414153286 467384163 /nfs/dbraw/zinc/38/41/63/467384163.db2.gz ZBTKMAADNOWQQF-LBPRGKRZSA-N 1 2 327.222 2.343 20 30 EEEDLO N#Cc1csc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000453582016 467499596 /nfs/dbraw/zinc/49/95/96/467499596.db2.gz WJXCAUJWOXDNMJ-UHFFFAOYSA-N 1 2 329.385 2.245 20 30 EEEDLO C=C(CC)CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000454362288 467587976 /nfs/dbraw/zinc/58/79/76/467587976.db2.gz BYJGTSQFLKZLSN-UHFFFAOYSA-N 1 2 347.459 2.163 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000497016840 467787750 /nfs/dbraw/zinc/78/77/50/467787750.db2.gz NCMQNMKYFYYEEF-UHFFFAOYSA-N 1 2 339.480 2.258 20 30 EEEDLO N#Cc1cc2c(nc1NCCCc1[nH]c3ccccc3[nH+]1)CCOC2 ZINC000450274969 467815436 /nfs/dbraw/zinc/81/54/36/467815436.db2.gz CZAJIUPQVHTITB-UHFFFAOYSA-N 1 2 333.395 2.947 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000458384559 467821075 /nfs/dbraw/zinc/82/10/75/467821075.db2.gz ACDVIIUONDOTSD-WFASDCNBSA-N 1 2 341.402 2.194 20 30 EEEDLO COCc1ccc(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1C#N ZINC000529818288 467913981 /nfs/dbraw/zinc/91/39/81/467913981.db2.gz WEBAVRXVTOMKOS-GOSISDBHSA-N 1 2 343.427 2.287 20 30 EEEDLO COCc1ccc(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1C#N ZINC000529818288 467913985 /nfs/dbraw/zinc/91/39/85/467913985.db2.gz WEBAVRXVTOMKOS-GOSISDBHSA-N 1 2 343.427 2.287 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1cccc(Br)c1 ZINC000493543617 467934196 /nfs/dbraw/zinc/93/41/96/467934196.db2.gz HCMVPAOMSYYRJP-MVGZEHJDSA-N 1 2 336.233 2.422 20 30 EEEDLO N#CCNC(=O)C[NH2+][C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000507280194 467940836 /nfs/dbraw/zinc/94/08/36/467940836.db2.gz NXYKYPOLFFACOX-LJQANCHMSA-N 1 2 346.390 2.321 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCOc1ccc(F)cc1F ZINC000515655429 468000800 /nfs/dbraw/zinc/00/08/00/468000800.db2.gz IHIXWSUVOFWDGB-MRXNPFEDSA-N 1 2 325.359 2.084 20 30 EEEDLO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+]CCC#N)c1 ZINC000567690753 468185447 /nfs/dbraw/zinc/18/54/47/468185447.db2.gz IPWNYZKQHNDPQS-UHFFFAOYSA-N 1 2 331.397 2.281 20 30 EEEDLO C[C@@H](C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[NH+]1CC(C)C1 ZINC000578641665 468232198 /nfs/dbraw/zinc/23/21/98/468232198.db2.gz HRDYVDSHUQIRGF-LBPRGKRZSA-N 1 2 343.818 2.676 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CS[C@@H](C)c2ccccc2OC)CC1 ZINC000490760272 468247716 /nfs/dbraw/zinc/24/77/16/468247716.db2.gz KJQRCYMLMFPCNS-HNNXBMFYSA-N 1 2 332.469 2.267 20 30 EEEDLO C[C@H](O)CCO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000496462958 468264534 /nfs/dbraw/zinc/26/45/34/468264534.db2.gz ZMKIHEAKURAIRW-LBPRGKRZSA-N 1 2 337.420 2.119 20 30 EEEDLO CCN1CCN(C(=O)NCC2CCC(C#N)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000582704653 468579403 /nfs/dbraw/zinc/57/94/03/468579403.db2.gz YCODEMKVVRFOBM-UYSNPLJNSA-N 1 2 344.463 2.128 20 30 EEEDLO N#CC1(CC(=O)NC[C@H]2CCC[N@H+](Cc3ncon3)C2)CCCCC1 ZINC000597639905 468623143 /nfs/dbraw/zinc/62/31/43/468623143.db2.gz HDVJFECAIUPBHP-OAHLLOKOSA-N 1 2 345.447 2.262 20 30 EEEDLO N#CC1(CC(=O)NC[C@H]2CCC[N@@H+](Cc3ncon3)C2)CCCCC1 ZINC000597639905 468623149 /nfs/dbraw/zinc/62/31/49/468623149.db2.gz HDVJFECAIUPBHP-OAHLLOKOSA-N 1 2 345.447 2.262 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1Br ZINC000592146222 468637489 /nfs/dbraw/zinc/63/74/89/468637489.db2.gz AMRLWCLZNFCBNJ-AWEZNQCLSA-N 1 2 325.206 2.308 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1Br ZINC000592146222 468637493 /nfs/dbraw/zinc/63/74/93/468637493.db2.gz AMRLWCLZNFCBNJ-AWEZNQCLSA-N 1 2 325.206 2.308 20 30 EEEDLO N#Cc1ccccc1-n1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000594652609 468643414 /nfs/dbraw/zinc/64/34/14/468643414.db2.gz UNXYVHWFLVSUNV-UHFFFAOYSA-N 1 2 344.422 2.461 20 30 EEEDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)c2[nH+]ccn21 ZINC000570790503 468691977 /nfs/dbraw/zinc/69/19/77/468691977.db2.gz WBJYHQOOOMWKNC-BXKDBHETSA-N 1 2 336.804 2.392 20 30 EEEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cnn1-c1cccc(Cl)c1 ZINC000570847949 468704185 /nfs/dbraw/zinc/70/41/85/468704185.db2.gz IHUSKMFFOSPNAB-QGZVFWFLSA-N 1 2 345.834 2.408 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000592521725 468719832 /nfs/dbraw/zinc/71/98/32/468719832.db2.gz BOJMOQKUZXKIKP-AWEZNQCLSA-N 1 2 327.287 2.047 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000592521725 468719838 /nfs/dbraw/zinc/71/98/38/468719838.db2.gz BOJMOQKUZXKIKP-AWEZNQCLSA-N 1 2 327.287 2.047 20 30 EEEDLO CC[N@H+](Cc1nnnn1C1CCOCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000571501522 468795755 /nfs/dbraw/zinc/79/57/55/468795755.db2.gz REQQQQUTHGGORN-AWEZNQCLSA-N 1 2 340.431 2.479 20 30 EEEDLO CC[N@@H+](Cc1nnnn1C1CCOCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000571501522 468795759 /nfs/dbraw/zinc/79/57/59/468795759.db2.gz REQQQQUTHGGORN-AWEZNQCLSA-N 1 2 340.431 2.479 20 30 EEEDLO N#CCCN(CCc1nsc2ccccc12)CC[NH+]1CCOCC1 ZINC000595335666 468815681 /nfs/dbraw/zinc/81/56/81/468815681.db2.gz WTPJEYCXBZPHSE-UHFFFAOYSA-N 1 2 344.484 2.387 20 30 EEEDLO N#CCC[N@@H+](CCc1nsc2ccccc12)CCN1CCOCC1 ZINC000595335666 468815684 /nfs/dbraw/zinc/81/56/84/468815684.db2.gz WTPJEYCXBZPHSE-UHFFFAOYSA-N 1 2 344.484 2.387 20 30 EEEDLO N#CCC[N@H+](CCc1nsc2ccccc12)CCN1CCOCC1 ZINC000595335666 468815686 /nfs/dbraw/zinc/81/56/86/468815686.db2.gz WTPJEYCXBZPHSE-UHFFFAOYSA-N 1 2 344.484 2.387 20 30 EEEDLO CC(C)(CC#N)CS(=O)(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000601450708 468879151 /nfs/dbraw/zinc/87/91/51/468879151.db2.gz GVLGRLDNYFWHJH-UHFFFAOYSA-N 1 2 347.484 2.216 20 30 EEEDLO CC(C)(CC#N)CS(=O)(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000601450708 468879152 /nfs/dbraw/zinc/87/91/52/468879152.db2.gz GVLGRLDNYFWHJH-UHFFFAOYSA-N 1 2 347.484 2.216 20 30 EEEDLO CCOc1ccc(N(CCC#N)C(=O)CN(C)Cc2c[nH+]c[nH]2)cc1 ZINC000595595413 468915292 /nfs/dbraw/zinc/91/52/92/468915292.db2.gz GZLFVMTVTRQNNZ-UHFFFAOYSA-N 1 2 341.415 2.187 20 30 EEEDLO CCOc1ccc(N(CCC#N)C(=O)CN(C)Cc2c[nH]c[nH+]2)cc1 ZINC000595595413 468915296 /nfs/dbraw/zinc/91/52/96/468915296.db2.gz GZLFVMTVTRQNNZ-UHFFFAOYSA-N 1 2 341.415 2.187 20 30 EEEDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595618204 468924576 /nfs/dbraw/zinc/92/45/76/468924576.db2.gz YVQFEGSPUFHFHX-GFCCVEGCSA-N 1 2 332.360 2.168 20 30 EEEDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595618204 468924580 /nfs/dbraw/zinc/92/45/80/468924580.db2.gz YVQFEGSPUFHFHX-GFCCVEGCSA-N 1 2 332.360 2.168 20 30 EEEDLO N#Cc1ccc(CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000595683025 468953616 /nfs/dbraw/zinc/95/36/16/468953616.db2.gz DVPVLVRKHGBNPL-UHFFFAOYSA-N 1 2 335.411 2.028 20 30 EEEDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1cccc(C#N)n1 ZINC000602658543 468993754 /nfs/dbraw/zinc/99/37/54/468993754.db2.gz KPEVBYQSFBBRIP-UHFFFAOYSA-N 1 2 328.441 2.462 20 30 EEEDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1cccc(C#N)n1 ZINC000602658543 468993762 /nfs/dbraw/zinc/99/37/62/468993762.db2.gz KPEVBYQSFBBRIP-UHFFFAOYSA-N 1 2 328.441 2.462 20 30 EEEDLO N#Cc1ccc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)cn1 ZINC000610541725 468998669 /nfs/dbraw/zinc/99/86/69/468998669.db2.gz YVXNOXZFZNGTEU-GOSISDBHSA-N 1 2 342.830 2.462 20 30 EEEDLO C=C(C)COc1cc(C[N@@H+]2C[C@H](C)O[C@H](C(=O)OC)C2)ccc1OC ZINC000593679239 469091310 /nfs/dbraw/zinc/09/13/10/469091310.db2.gz UHTIEBQFSZNQEH-KSSFIOAISA-N 1 2 349.427 2.412 20 30 EEEDLO C=C(C)COc1cc(C[N@H+]2C[C@H](C)O[C@H](C(=O)OC)C2)ccc1OC ZINC000593679239 469091315 /nfs/dbraw/zinc/09/13/15/469091315.db2.gz UHTIEBQFSZNQEH-KSSFIOAISA-N 1 2 349.427 2.412 20 30 EEEDLO COC(=O)[C@H]([NH2+]CCOc1ccc(C#N)cc1)[C@H]1CCC[C@H](OC)C1 ZINC000573690145 469188364 /nfs/dbraw/zinc/18/83/64/469188364.db2.gz WPYFHCATCBTJLL-RYQLBKOJSA-N 1 2 346.427 2.273 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000563219967 469203999 /nfs/dbraw/zinc/20/39/99/469203999.db2.gz CRXBDXDXTYNCOT-GOSISDBHSA-N 1 2 341.415 2.019 20 30 EEEDLO CCCOc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1OCC ZINC000563583242 469241691 /nfs/dbraw/zinc/24/16/91/469241691.db2.gz DOTKKWVJPLIOMU-GOSISDBHSA-N 1 2 333.432 2.448 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCN(C(=O)C2CC2)CC1(C)C ZINC000611462901 469254255 /nfs/dbraw/zinc/25/42/55/469254255.db2.gz HRUCTVUYISFGLY-UHFFFAOYSA-N 1 2 327.428 2.400 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CCN(C(=O)C2CC2)CC1(C)C ZINC000611462901 469254262 /nfs/dbraw/zinc/25/42/62/469254262.db2.gz HRUCTVUYISFGLY-UHFFFAOYSA-N 1 2 327.428 2.400 20 30 EEEDLO N#C[C@@]1(F)CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000615530508 469256051 /nfs/dbraw/zinc/25/60/51/469256051.db2.gz AQYXBYWXXFTEDE-KRWDZBQOSA-N 1 2 331.395 2.219 20 30 EEEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1CCOc1cccc(C#N)c1 ZINC000599443557 469257846 /nfs/dbraw/zinc/25/78/46/469257846.db2.gz AUXLARHYJAUHBL-LJQANCHMSA-N 1 2 348.410 2.041 20 30 EEEDLO CC(C)N1CC[C@@H]([NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1=O ZINC000611553049 469277317 /nfs/dbraw/zinc/27/73/17/469277317.db2.gz PNIPBUYQBSZEEE-MSOLQXFVSA-N 1 2 344.434 2.017 20 30 EEEDLO N#C[C@]1(F)CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000615662251 469294728 /nfs/dbraw/zinc/29/47/28/469294728.db2.gz UMUCVLDQROYWNG-DOTOQJQBSA-N 1 2 333.432 2.241 20 30 EEEDLO C[C@H](CCC#N)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000602448428 469319789 /nfs/dbraw/zinc/31/97/89/469319789.db2.gz TWFUUYSGCHUFSW-GFCCVEGCSA-N 1 2 336.417 2.354 20 30 EEEDLO C[C@@H](CCC#N)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000602448429 469320246 /nfs/dbraw/zinc/32/02/46/469320246.db2.gz TWFUUYSGCHUFSW-LBPRGKRZSA-N 1 2 336.417 2.354 20 30 EEEDLO C[C@@H]1C[N@H+](CCNc2c(C#N)cnn2-c2ccccc2)[C@@H](C)CO1 ZINC000603407583 469383505 /nfs/dbraw/zinc/38/35/05/469383505.db2.gz GRZYCWZNXVQADH-LSDHHAIUSA-N 1 2 325.416 2.265 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNc2c(C#N)cnn2-c2ccccc2)[C@@H](C)CO1 ZINC000603407583 469383510 /nfs/dbraw/zinc/38/35/10/469383510.db2.gz GRZYCWZNXVQADH-LSDHHAIUSA-N 1 2 325.416 2.265 20 30 EEEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000619450176 469611203 /nfs/dbraw/zinc/61/12/03/469611203.db2.gz SXZPWIIIJIJVTD-RTBURBONSA-N 1 2 339.439 2.305 20 30 EEEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000619450176 469611207 /nfs/dbraw/zinc/61/12/07/469611207.db2.gz SXZPWIIIJIJVTD-RTBURBONSA-N 1 2 339.439 2.305 20 30 EEEDLO C=CCc1ccc(OCC(=O)N2CCc3[nH]c[nH+]c3C2)c(OC)c1 ZINC000647735026 470971964 /nfs/dbraw/zinc/97/19/64/470971964.db2.gz OEJSVPXACOHSDX-UHFFFAOYSA-N 1 2 327.384 2.111 20 30 EEEDLO C=CCc1ccc(OCC(=O)N2CCc3[nH+]c[nH]c3C2)c(OC)c1 ZINC000647735026 470971969 /nfs/dbraw/zinc/97/19/69/470971969.db2.gz OEJSVPXACOHSDX-UHFFFAOYSA-N 1 2 327.384 2.111 20 30 EEEDLO CC(=O)c1[nH]c(CC[NH+]2CCC(C#N)(c3ccccn3)CC2)nc1C ZINC000660481604 471360350 /nfs/dbraw/zinc/36/03/50/471360350.db2.gz SEJRKYDVBFAHAC-UHFFFAOYSA-N 1 2 337.427 2.416 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCn2c[nH+]cc2C1 ZINC000660580841 471401172 /nfs/dbraw/zinc/40/11/72/471401172.db2.gz PCRJTYCWKVJWIU-CQSZACIVSA-N 1 2 330.457 2.364 20 30 EEEDLO C#CCNC(=O)c1ccc(NCc2cccc(-c3[nH]cc[nH+]3)c2)nc1 ZINC000491817498 486695232 /nfs/dbraw/zinc/69/52/32/486695232.db2.gz UUPAQSJGHHCBHR-UHFFFAOYSA-N 1 2 331.379 2.447 20 30 EEEDLO C=CCCOCCCCC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000678834718 485516279 /nfs/dbraw/zinc/51/62/79/485516279.db2.gz LUOHGUPDUIOYNX-UHFFFAOYSA-N 1 2 348.491 2.217 20 30 EEEDLO C=CCCOCCCCC(=O)N1CCC[N@@H+](Cc2nccn2C)CC1 ZINC000678834718 485516285 /nfs/dbraw/zinc/51/62/85/485516285.db2.gz LUOHGUPDUIOYNX-UHFFFAOYSA-N 1 2 348.491 2.217 20 30 EEEDLO C=CCCOCCCCC(=O)N1CCC[N@H+](Cc2nccn2C)CC1 ZINC000678834718 485516292 /nfs/dbraw/zinc/51/62/92/485516292.db2.gz LUOHGUPDUIOYNX-UHFFFAOYSA-N 1 2 348.491 2.217 20 30 EEEDLO COCC#CC[NH+]1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000677817638 486500035 /nfs/dbraw/zinc/50/00/35/486500035.db2.gz OFGCWRAMAREDCV-CQSZACIVSA-N 1 2 346.456 2.127 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)[C@H]1CC ZINC001087733025 782154304 /nfs/dbraw/zinc/15/43/04/782154304.db2.gz CZFBXJDEHHZZAN-XJFOESAGSA-N 1 2 345.281 2.432 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)[C@H]1CC ZINC001087733025 782154307 /nfs/dbraw/zinc/15/43/07/782154307.db2.gz CZFBXJDEHHZZAN-XJFOESAGSA-N 1 2 345.281 2.432 20 30 EEEDLO C#CCCCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000159035845 526700794 /nfs/dbraw/zinc/70/07/94/526700794.db2.gz ZERRXJCAKQOXRF-HNNXBMFYSA-N 1 2 335.473 2.224 20 30 EEEDLO CS(=O)(=O)c1cccc(Cl)c1C=NNCC[NH+]1CCCCC1 ZINC000773202423 577322772 /nfs/dbraw/zinc/32/27/72/577322772.db2.gz WYVPJJYZJFDDNJ-UHFFFAOYSA-N 1 2 343.880 2.153 20 30 EEEDLO C#CCNC(=O)C[N@H+]1Cc2cccc(Br)c2C[C@@H]1CC ZINC000773927516 577373316 /nfs/dbraw/zinc/37/33/16/577373316.db2.gz RMZYUPNDCLPZNN-ZDUSSCGKSA-N 1 2 335.245 2.335 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1Cc2cccc(Br)c2C[C@@H]1CC ZINC000773927516 577373318 /nfs/dbraw/zinc/37/33/18/577373318.db2.gz RMZYUPNDCLPZNN-ZDUSSCGKSA-N 1 2 335.245 2.335 20 30 EEEDLO CCOC(=O)N1CCC([C@H](C)/[NH+]=C\c2ccc(O)c(O)c2O)CC1 ZINC000777401778 577478147 /nfs/dbraw/zinc/47/81/47/577478147.db2.gz QZGGVGHEUPMHPA-TZQXVGBESA-N 1 2 336.388 2.479 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@](CC)(c2ccc(Cl)cc2)C1=O ZINC000766666609 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20 30 EEEDLO C=CCc1cc(OCC)cc(C[N@@H+]2CCO[C@H](CC(=O)OC)C2)c1O ZINC000751951981 577763108 /nfs/dbraw/zinc/76/31/08/577763108.db2.gz ACEYXLFHBVOWIR-QGZVFWFLSA-N 1 2 349.427 2.283 20 30 EEEDLO C=CCc1cc(OCC)cc(C[N@H+]2CCO[C@H](CC(=O)OC)C2)c1O ZINC000751951981 577763109 /nfs/dbraw/zinc/76/31/09/577763109.db2.gz ACEYXLFHBVOWIR-QGZVFWFLSA-N 1 2 349.427 2.283 20 30 EEEDLO COc1cc(C)nc(N=NCc2c(-n3cc[nH+]c3)nc3ccccn32)n1 ZINC000755752230 577830471 /nfs/dbraw/zinc/83/04/71/577830471.db2.gz BMZDMGKGUNUJPE-UHFFFAOYSA-N 1 2 348.370 2.073 20 30 EEEDLO C=CCCCC(=O)N(C)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000748309179 577959046 /nfs/dbraw/zinc/95/90/46/577959046.db2.gz FLLKLYPCNUIAPI-UHFFFAOYSA-N 1 2 339.480 2.354 20 30 EEEDLO C[C@@H]1CN(c2ccccc2C=[NH+]Nc2ccnc(N(C)C)n2)CCO1 ZINC000739410835 578052498 /nfs/dbraw/zinc/05/24/98/578052498.db2.gz CDVGFRIZRZSBQZ-CQSZACIVSA-N 1 2 340.431 2.214 20 30 EEEDLO C=CC[N@@H+](CC(=O)OCC)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741783176 578124033 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ZINC001014726956 1224237795 /nfs/dbraw/zinc/23/77/95/1224237795.db2.gz AIGBJNLBRQRVPA-MRXNPFEDSA-N 1 2 328.391 2.213 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001033588536 1194917409 /nfs/dbraw/zinc/91/74/09/1194917409.db2.gz JMJNYSZBOSWRGO-AWEZNQCLSA-N 1 2 349.862 2.287 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001033588536 1194917410 /nfs/dbraw/zinc/91/74/10/1194917410.db2.gz JMJNYSZBOSWRGO-AWEZNQCLSA-N 1 2 349.862 2.287 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2c3ccccc3NC2=O)C1 ZINC001033703404 1195097369 /nfs/dbraw/zinc/09/73/69/1195097369.db2.gz ZIXWGJNGUFYWMO-UKRRQHHQSA-N 1 2 347.846 2.398 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2c3ccccc3NC2=O)C1 ZINC001033703404 1195097374 /nfs/dbraw/zinc/09/73/74/1195097374.db2.gz ZIXWGJNGUFYWMO-UKRRQHHQSA-N 1 2 347.846 2.398 20 30 EEEDLO CCN(C(=O)c1cn[nH]c1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033759273 1195214630 /nfs/dbraw/zinc/21/46/30/1195214630.db2.gz QQVDDFDGYNPGFT-MRXNPFEDSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1cn[nH]c1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033759273 1195214633 /nfs/dbraw/zinc/21/46/33/1195214633.db2.gz QQVDDFDGYNPGFT-MRXNPFEDSA-N 1 2 341.390 2.157 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001033960533 1195586540 /nfs/dbraw/zinc/58/65/40/1195586540.db2.gz WIOXXQPBASBKAP-ZACQAIPSSA-N 1 2 347.459 2.305 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001033960533 1195586544 /nfs/dbraw/zinc/58/65/44/1195586544.db2.gz WIOXXQPBASBKAP-ZACQAIPSSA-N 1 2 347.459 2.305 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC001034166122 1195885340 /nfs/dbraw/zinc/88/53/40/1195885340.db2.gz ZVQBZKNUSYNRRJ-CQSZACIVSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC001034166122 1195885343 /nfs/dbraw/zinc/88/53/43/1195885343.db2.gz ZVQBZKNUSYNRRJ-CQSZACIVSA-N 1 2 343.456 2.436 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCCC[N@H+](Cc3nccs3)C2)c1 ZINC001034392439 1196159436 /nfs/dbraw/zinc/15/94/36/1196159436.db2.gz KFFIHFASPTWDLI-INIZCTEOSA-N 1 2 340.452 2.304 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCCC[N@@H+](Cc3nccs3)C2)c1 ZINC001034392439 1196159438 /nfs/dbraw/zinc/15/94/38/1196159438.db2.gz KFFIHFASPTWDLI-INIZCTEOSA-N 1 2 340.452 2.304 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC001034462654 1196241178 /nfs/dbraw/zinc/24/11/78/1196241178.db2.gz LANULOZNSIKEOX-DZGCQCFKSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC001034462654 1196241182 /nfs/dbraw/zinc/24/11/82/1196241182.db2.gz LANULOZNSIKEOX-DZGCQCFKSA-N 1 2 345.281 2.292 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](Cc3cc(C)on3)C2)nc1 ZINC001034493022 1196282956 /nfs/dbraw/zinc/28/29/56/1196282956.db2.gz KLVNDCXMEJYALJ-INIZCTEOSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](Cc3cc(C)on3)C2)nc1 ZINC001034493022 1196282960 /nfs/dbraw/zinc/28/29/60/1196282960.db2.gz KLVNDCXMEJYALJ-INIZCTEOSA-N 1 2 338.411 2.144 20 30 EEEDLO CC1(C(=O)NC[C@@]2(C)C[N@H+](Cc3cccc(C#N)c3)CCO2)CCC1 ZINC001108129883 1196336804 /nfs/dbraw/zinc/33/68/04/1196336804.db2.gz PQZDYQZULWMDSX-FQEVSTJZSA-N 1 2 341.455 2.456 20 30 EEEDLO CC1(C(=O)NC[C@@]2(C)C[N@@H+](Cc3cccc(C#N)c3)CCO2)CCC1 ZINC001108129883 1196336805 /nfs/dbraw/zinc/33/68/05/1196336805.db2.gz PQZDYQZULWMDSX-FQEVSTJZSA-N 1 2 341.455 2.456 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001090256819 1196664276 /nfs/dbraw/zinc/66/42/76/1196664276.db2.gz VVRZMDIUHGMRIB-HBUWYVDXSA-N 1 2 332.448 2.273 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001078988946 1196743202 /nfs/dbraw/zinc/74/32/02/1196743202.db2.gz VIKSLKZGLIYCIQ-MRXNPFEDSA-N 1 2 346.475 2.394 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001078988946 1196743206 /nfs/dbraw/zinc/74/32/06/1196743206.db2.gz VIKSLKZGLIYCIQ-MRXNPFEDSA-N 1 2 346.475 2.394 20 30 EEEDLO C#Cc1ccc(C(=O)NCc2ccc(C[NH2+]Cc3cnon3)cc2)cc1 ZINC001034822223 1196785774 /nfs/dbraw/zinc/78/57/74/1196785774.db2.gz KKMMIYFVFJTBQZ-UHFFFAOYSA-N 1 2 346.390 2.271 20 30 EEEDLO C#Cc1ccc(C(=O)NCc2ccc(C[NH2+]Cc3ccon3)cc2)nc1 ZINC001034827841 1196789784 /nfs/dbraw/zinc/78/97/84/1196789784.db2.gz IXZFPKZUHLNPIZ-UHFFFAOYSA-N 1 2 346.390 2.271 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CCC[C@H](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129020699 1196805397 /nfs/dbraw/zinc/80/53/97/1196805397.db2.gz ZLYNGBYUHKBFRW-KURKYZTESA-N 1 2 345.491 2.249 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CCC[C@H](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129020699 1196805403 /nfs/dbraw/zinc/80/54/03/1196805403.db2.gz ZLYNGBYUHKBFRW-KURKYZTESA-N 1 2 345.491 2.249 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)Nc3ccc(F)cc3)C[C@H]21 ZINC001114348330 1197920712 /nfs/dbraw/zinc/92/07/12/1197920712.db2.gz LFAOCJMECBGQLM-MNZLEMJZSA-N 1 2 345.418 2.167 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)Nc3ccc(F)cc3)C[C@H]21 ZINC001114348330 1197920721 /nfs/dbraw/zinc/92/07/21/1197920721.db2.gz LFAOCJMECBGQLM-MNZLEMJZSA-N 1 2 345.418 2.167 20 30 EEEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1cnc(Cl)nc1)CC2 ZINC001273274922 1197943186 /nfs/dbraw/zinc/94/31/86/1197943186.db2.gz OZFDBSJBZXHBLW-CQSZACIVSA-N 1 2 334.851 2.424 20 30 EEEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cnc(Cl)nc1NC)CC2 ZINC001273373695 1198386727 /nfs/dbraw/zinc/38/67/27/1198386727.db2.gz FRNNMMNKZOBBBT-ZDUSSCGKSA-N 1 2 349.866 2.076 20 30 EEEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cnc(SC)nc2)C1=O ZINC001273384457 1198430035 /nfs/dbraw/zinc/43/00/35/1198430035.db2.gz POKOQLJUWPHHTF-KRWDZBQOSA-N 1 2 332.473 2.342 20 30 EEEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cnc(SC)nc2)C1=O ZINC001273384457 1198430037 /nfs/dbraw/zinc/43/00/37/1198430037.db2.gz POKOQLJUWPHHTF-KRWDZBQOSA-N 1 2 332.473 2.342 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(OC)ns2)C1 ZINC001132002055 1199188113 /nfs/dbraw/zinc/18/81/13/1199188113.db2.gz GMKDFAUYRNZUEG-KGLIPLIRSA-N 1 2 335.473 2.424 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(OC)ns2)C1 ZINC001132002055 1199188118 /nfs/dbraw/zinc/18/81/18/1199188118.db2.gz GMKDFAUYRNZUEG-KGLIPLIRSA-N 1 2 335.473 2.424 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875269189 1199193737 /nfs/dbraw/zinc/19/37/37/1199193737.db2.gz LQQKRTUPWISHFT-KRWDZBQOSA-N 1 2 347.459 2.161 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875269189 1199193742 /nfs/dbraw/zinc/19/37/42/1199193742.db2.gz LQQKRTUPWISHFT-KRWDZBQOSA-N 1 2 347.459 2.161 20 30 EEEDLO COc1ncccc1C[N@@H+]1C[C@H](NC(=O)C#CC(C)C)CC[C@H]1C ZINC001132017006 1199212971 /nfs/dbraw/zinc/21/29/71/1199212971.db2.gz LXYDDBKWZQHMAR-NVXWUHKLSA-N 1 2 329.444 2.219 20 30 EEEDLO COc1ncccc1C[N@H+]1C[C@H](NC(=O)C#CC(C)C)CC[C@H]1C ZINC001132017006 1199212974 /nfs/dbraw/zinc/21/29/74/1199212974.db2.gz LXYDDBKWZQHMAR-NVXWUHKLSA-N 1 2 329.444 2.219 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@@H+]1CC(=O)Nc1ccccc1 ZINC001132046239 1199252016 /nfs/dbraw/zinc/25/20/16/1199252016.db2.gz NJPQTVIJCHGYLW-CRAIPNDOSA-N 1 2 339.439 2.008 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@H+]1CC(=O)Nc1ccccc1 ZINC001132046239 1199252019 /nfs/dbraw/zinc/25/20/19/1199252019.db2.gz NJPQTVIJCHGYLW-CRAIPNDOSA-N 1 2 339.439 2.008 20 30 EEEDLO C#CCCCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nnsc1Cl ZINC001134200458 1199397884 /nfs/dbraw/zinc/39/78/84/1199397884.db2.gz FEXJWNJOACIQOK-WDEREUQCSA-N 1 2 328.869 2.368 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)c(OC)cc1C ZINC001018295668 1224577815 /nfs/dbraw/zinc/57/78/15/1224577815.db2.gz RRTCPXSUYFLMLO-IYBDPMFKSA-N 1 2 342.439 2.324 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)c(OC)cc1C ZINC001018295668 1224577819 /nfs/dbraw/zinc/57/78/19/1224577819.db2.gz RRTCPXSUYFLMLO-IYBDPMFKSA-N 1 2 342.439 2.324 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1)c1ccccc1 ZINC000878534983 1200526440 /nfs/dbraw/zinc/52/64/40/1200526440.db2.gz UYIGZRHAUOWKQE-RLLQIKCJSA-N 1 2 342.439 2.307 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1)c1ccccc1 ZINC000878534983 1200526449 /nfs/dbraw/zinc/52/64/49/1200526449.db2.gz UYIGZRHAUOWKQE-RLLQIKCJSA-N 1 2 342.439 2.307 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(NC(C)=O)c(F)c1 ZINC001018346920 1224631630 /nfs/dbraw/zinc/63/16/30/1224631630.db2.gz OXOGKKBLFKDZAQ-IYBDPMFKSA-N 1 2 343.402 2.096 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(NC(C)=O)c(F)c1 ZINC001018346920 1224631636 /nfs/dbraw/zinc/63/16/36/1224631636.db2.gz OXOGKKBLFKDZAQ-IYBDPMFKSA-N 1 2 343.402 2.096 20 30 EEEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2nc(-c3ccsc3)no2)C1 ZINC001133565704 1201055789 /nfs/dbraw/zinc/05/57/89/1201055789.db2.gz HVVMUHSPIUIVHO-UHFFFAOYSA-N 1 2 332.429 2.360 20 30 EEEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000879764486 1201247523 /nfs/dbraw/zinc/24/75/23/1201247523.db2.gz XXWMVCTWXVSCKJ-HNNXBMFYSA-N 1 2 341.333 2.080 20 30 EEEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000879764486 1201247528 /nfs/dbraw/zinc/24/75/28/1201247528.db2.gz XXWMVCTWXVSCKJ-HNNXBMFYSA-N 1 2 341.333 2.080 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)[nH]1 ZINC001095328101 1202269505 /nfs/dbraw/zinc/26/95/05/1202269505.db2.gz VGOAAABWLSCVEZ-NEWSRXKRSA-N 1 2 345.406 2.293 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)[nH]1 ZINC001095328101 1202269507 /nfs/dbraw/zinc/26/95/07/1202269507.db2.gz VGOAAABWLSCVEZ-NEWSRXKRSA-N 1 2 345.406 2.293 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2sccc2C(=O)OCC)C1=O ZINC001274836997 1205180154 /nfs/dbraw/zinc/18/01/54/1205180154.db2.gz RMUBKOZCAVQFNF-GOSISDBHSA-N 1 2 346.452 2.125 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2sccc2C(=O)OCC)C1=O ZINC001274836997 1205180156 /nfs/dbraw/zinc/18/01/56/1205180156.db2.gz RMUBKOZCAVQFNF-GOSISDBHSA-N 1 2 346.452 2.125 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(O)c1F)C2 ZINC001274859302 1205190256 /nfs/dbraw/zinc/19/02/56/1205190256.db2.gz GYKDBJHYBXAHMT-LJQANCHMSA-N 1 2 348.418 2.158 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccc(O)c1F)C2 ZINC001274859302 1205190258 /nfs/dbraw/zinc/19/02/58/1205190258.db2.gz GYKDBJHYBXAHMT-LJQANCHMSA-N 1 2 348.418 2.158 20 30 EEEDLO Cn1cnc(C[N@@H+]2CCC[C@]23CCN(Cc2cccc(C#N)c2)C3=O)c1 ZINC001275365576 1205323602 /nfs/dbraw/zinc/32/36/02/1205323602.db2.gz PDOQWTZYDXTHFX-HXUWFJFHSA-N 1 2 349.438 2.059 20 30 EEEDLO Cn1cnc(C[N@H+]2CCC[C@]23CCN(Cc2cccc(C#N)c2)C3=O)c1 ZINC001275365576 1205323604 /nfs/dbraw/zinc/32/36/04/1205323604.db2.gz PDOQWTZYDXTHFX-HXUWFJFHSA-N 1 2 349.438 2.059 20 30 EEEDLO Cc1ccc(CN2CC3(C2)C[NH+](Cc2cccc(=O)[nH]2)C3)cc1C#N ZINC001275374201 1205327287 /nfs/dbraw/zinc/32/72/87/1205327287.db2.gz UWWIIFINBFGLMJ-UHFFFAOYSA-N 1 2 334.423 2.285 20 30 EEEDLO C#CCNC(=O)CC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000931797667 1207465572 /nfs/dbraw/zinc/46/55/72/1207465572.db2.gz XNQONAYMBDLRJJ-GOSISDBHSA-N 1 2 342.830 2.150 20 30 EEEDLO C#CCNC(=O)CC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000931797667 1207465574 /nfs/dbraw/zinc/46/55/74/1207465574.db2.gz XNQONAYMBDLRJJ-GOSISDBHSA-N 1 2 342.830 2.150 20 30 EEEDLO C=C(C)CCC(=O)NC[C@]1(O)CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001111101359 1208189770 /nfs/dbraw/zinc/18/97/70/1208189770.db2.gz ASZZPXDSFWJFTL-LJQANCHMSA-N 1 2 344.459 2.076 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC000948941139 1209465559 /nfs/dbraw/zinc/46/55/59/1209465559.db2.gz TVUHDJMVBJGILG-LJQANCHMSA-N 1 2 336.439 2.426 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC000948941139 1209465561 /nfs/dbraw/zinc/46/55/61/1209465561.db2.gz TVUHDJMVBJGILG-LJQANCHMSA-N 1 2 336.439 2.426 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC000948958922 1209474340 /nfs/dbraw/zinc/47/43/40/1209474340.db2.gz RNDMEQTZVBOQHP-IEBWSBKVSA-N 1 2 348.450 2.178 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC000948958922 1209474342 /nfs/dbraw/zinc/47/43/42/1209474342.db2.gz RNDMEQTZVBOQHP-IEBWSBKVSA-N 1 2 348.450 2.178 20 30 EEEDLO C=C(Br)CN1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000949274141 1209602868 /nfs/dbraw/zinc/60/28/68/1209602868.db2.gz BASZIUAZUWOGSU-UHFFFAOYSA-N 1 2 349.232 2.001 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)c3ccc(C)o3)CC2)C1 ZINC000949486392 1209710201 /nfs/dbraw/zinc/71/02/01/1209710201.db2.gz CLMPCANGIBXKPE-MRXNPFEDSA-N 1 2 330.428 2.018 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)c3ccc(C)o3)CC2)C1 ZINC000949486392 1209710203 /nfs/dbraw/zinc/71/02/03/1209710203.db2.gz CLMPCANGIBXKPE-MRXNPFEDSA-N 1 2 330.428 2.018 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)c3ccc(C)o3)CC2)C1 ZINC000949486391 1209710278 /nfs/dbraw/zinc/71/02/78/1209710278.db2.gz CLMPCANGIBXKPE-INIZCTEOSA-N 1 2 330.428 2.018 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)c3ccc(C)o3)CC2)C1 ZINC000949486391 1209710281 /nfs/dbraw/zinc/71/02/81/1209710281.db2.gz CLMPCANGIBXKPE-INIZCTEOSA-N 1 2 330.428 2.018 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2c2nccs2)C1 ZINC001015392810 1225191486 /nfs/dbraw/zinc/19/14/86/1225191486.db2.gz QKVKVHXMNDTOPP-QWHCGFSZSA-N 1 2 340.880 2.055 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2c2nccs2)C1 ZINC001015392810 1225191490 /nfs/dbraw/zinc/19/14/90/1225191490.db2.gz QKVKVHXMNDTOPP-QWHCGFSZSA-N 1 2 340.880 2.055 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CCOc2ccc(C)cc2)CC1 ZINC000950590289 1210292763 /nfs/dbraw/zinc/29/27/63/1210292763.db2.gz JBJCWSWJNSGKJT-MOPGFXCFSA-N 1 2 344.455 2.109 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)cc(C)[nH]c1=O)C2 ZINC001095836292 1210569757 /nfs/dbraw/zinc/56/97/57/1210569757.db2.gz SNRXQXFRIZHDKS-RDBSUJKOSA-N 1 2 335.835 2.492 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)cc(C)[nH]c1=O)C2 ZINC001095836292 1210569758 /nfs/dbraw/zinc/56/97/58/1210569758.db2.gz SNRXQXFRIZHDKS-RDBSUJKOSA-N 1 2 335.835 2.492 20 30 EEEDLO C=CCCn1cc(C(=O)N2CC[NH+](Cc3ccc(C)cc3)CC2)nn1 ZINC000951604911 1210913383 /nfs/dbraw/zinc/91/33/83/1210913383.db2.gz UJHROKRIXARVFM-UHFFFAOYSA-N 1 2 339.443 2.121 20 30 EEEDLO CC(=NNC1=[NH+]C[C@H](C)N1)c1cc(Br)cc(Cl)c1O ZINC000779795272 1210971949 /nfs/dbraw/zinc/97/19/49/1210971949.db2.gz RHUXYNIVHPEHKB-LURJTMIESA-N 1 2 345.628 2.469 20 30 EEEDLO COC(=O)c1ccccc1-c1ccc(C=NNC2=[NH+]C[C@@H](C)N2)o1 ZINC000779802575 1211012729 /nfs/dbraw/zinc/01/27/29/1211012729.db2.gz IVMVPYIWSDXSRC-LLVKDONJSA-N 1 2 326.356 2.004 20 30 EEEDLO C=CCOCCCC(=O)N1CCC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001111402136 1211603793 /nfs/dbraw/zinc/60/37/93/1211603793.db2.gz HFXRPUIQOWBDED-DLBZAZTESA-N 1 2 344.459 2.195 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC000956587801 1214109801 /nfs/dbraw/zinc/10/98/01/1214109801.db2.gz MPLUUMFYWQERDP-JSIMBTCTSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)C3(C)CCC3)CC2)C1 ZINC000956600477 1214122740 /nfs/dbraw/zinc/12/27/40/1214122740.db2.gz YPSPLSCULXLIQC-INIZCTEOSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001114806681 1215408844 /nfs/dbraw/zinc/40/88/44/1215408844.db2.gz AULMQEZCXMYVNT-IHRRRGAJSA-N 1 2 342.447 2.272 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cccc3c2OCC3)C1 ZINC001015740822 1225612296 /nfs/dbraw/zinc/61/22/96/1225612296.db2.gz CBBHHPGSTZPOIC-GOSISDBHSA-N 1 2 347.418 2.497 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cccc3c2OCC3)C1 ZINC001015740822 1225612302 /nfs/dbraw/zinc/61/23/02/1225612302.db2.gz CBBHHPGSTZPOIC-GOSISDBHSA-N 1 2 347.418 2.497 20 30 EEEDLO CC(C)n1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001015784211 1225665138 /nfs/dbraw/zinc/66/51/38/1225665138.db2.gz DGLPKERKCWPWCE-ZDUSSCGKSA-N 1 2 343.456 2.401 20 30 EEEDLO CC(C)n1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001015784211 1225665140 /nfs/dbraw/zinc/66/51/40/1225665140.db2.gz DGLPKERKCWPWCE-ZDUSSCGKSA-N 1 2 343.456 2.401 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3cscn3)C2)c(F)c1 ZINC001015801596 1225686444 /nfs/dbraw/zinc/68/64/44/1225686444.db2.gz SHNHUWFZOWDWFJ-CQSZACIVSA-N 1 2 344.415 2.087 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cc3cscn3)C2)c(F)c1 ZINC001015801596 1225686447 /nfs/dbraw/zinc/68/64/47/1225686447.db2.gz SHNHUWFZOWDWFJ-CQSZACIVSA-N 1 2 344.415 2.087 20 30 EEEDLO Cc1nc(C[N@H+](C)C[C@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)c(C)o1 ZINC000960563278 1216686435 /nfs/dbraw/zinc/68/64/35/1216686435.db2.gz KCIIDEMICDEQJG-OAHLLOKOSA-N 1 2 341.415 2.228 20 30 EEEDLO Cc1nc(C[N@@H+](C)C[C@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)c(C)o1 ZINC000960563278 1216686440 /nfs/dbraw/zinc/68/64/40/1216686440.db2.gz KCIIDEMICDEQJG-OAHLLOKOSA-N 1 2 341.415 2.228 20 30 EEEDLO CCc1nnc([C@H](C)[N@H+](C)C[C@H]2CCCN2C(=O)C#CC2CC2)o1 ZINC000960612135 1216734402 /nfs/dbraw/zinc/73/44/02/1216734402.db2.gz FPVRTUHBGBWJIS-DZGCQCFKSA-N 1 2 330.432 2.029 20 30 EEEDLO CCc1nnc([C@H](C)[N@@H+](C)C[C@H]2CCCN2C(=O)C#CC2CC2)o1 ZINC000960612135 1216734406 /nfs/dbraw/zinc/73/44/06/1216734406.db2.gz FPVRTUHBGBWJIS-DZGCQCFKSA-N 1 2 330.432 2.029 20 30 EEEDLO C[C@]1(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)CCOC1 ZINC001015906442 1225811779 /nfs/dbraw/zinc/81/17/79/1225811779.db2.gz BCMJHNDKGXYEIX-HKUYNNGSSA-N 1 2 346.858 2.309 20 30 EEEDLO C[C@]1(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)CCOC1 ZINC001015906442 1225811785 /nfs/dbraw/zinc/81/17/85/1225811785.db2.gz BCMJHNDKGXYEIX-HKUYNNGSSA-N 1 2 346.858 2.309 20 30 EEEDLO C[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CCCOC1 ZINC001015910634 1225815212 /nfs/dbraw/zinc/81/52/12/1225815212.db2.gz FLWWBZIQRBMHGV-APWZRJJASA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CCCOC1 ZINC001015910634 1225815219 /nfs/dbraw/zinc/81/52/19/1225815219.db2.gz FLWWBZIQRBMHGV-APWZRJJASA-N 1 2 345.418 2.205 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC000965037071 1218842706 /nfs/dbraw/zinc/84/27/06/1218842706.db2.gz XONKJGRXPIZNQZ-HNNXBMFYSA-N 1 2 346.475 2.062 20 30 EEEDLO CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001016008782 1225952881 /nfs/dbraw/zinc/95/28/81/1225952881.db2.gz MEXOARKWFBVCFO-KRWDZBQOSA-N 1 2 349.438 2.024 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cnc3n2CCCC3)C1 ZINC000967997511 1220974721 /nfs/dbraw/zinc/97/47/21/1220974721.db2.gz VGWPJOCPPROMQM-GXTWGEPZSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cnc3n2CCCC3)C1 ZINC000967997511 1220974725 /nfs/dbraw/zinc/97/47/25/1220974725.db2.gz VGWPJOCPPROMQM-GXTWGEPZSA-N 1 2 336.867 2.412 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cc(Cl)no1 ZINC001016065974 1226024326 /nfs/dbraw/zinc/02/43/26/1226024326.db2.gz JPPYUYAAIISGIJ-AWEZNQCLSA-N 1 2 329.787 2.184 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cc(Cl)no1 ZINC001016065974 1226024327 /nfs/dbraw/zinc/02/43/27/1226024327.db2.gz JPPYUYAAIISGIJ-AWEZNQCLSA-N 1 2 329.787 2.184 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(P(C)(C)=O)cc2)C1 ZINC000968669025 1221478247 /nfs/dbraw/zinc/47/82/47/1221478247.db2.gz HDVSRTBCXBOQJL-YJBOKZPZSA-N 1 2 346.411 2.398 20 30 EEEDLO CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(P(C)(C)=O)cc2)C1 ZINC000968669025 1221478248 /nfs/dbraw/zinc/47/82/48/1221478248.db2.gz HDVSRTBCXBOQJL-YJBOKZPZSA-N 1 2 346.411 2.398 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCCCCN3CC#N)ccn12 ZINC000968859904 1221629107 /nfs/dbraw/zinc/62/91/07/1221629107.db2.gz TWVBOVQMELQSBZ-INIZCTEOSA-N 1 2 325.416 2.141 20 30 EEEDLO C[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CCCOC1 ZINC001008995784 1223107495 /nfs/dbraw/zinc/10/74/95/1223107495.db2.gz SLPLQDUJRYASOL-ICSRJNTNSA-N 1 2 341.455 2.456 20 30 EEEDLO C[C@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CCCOC1 ZINC001008995784 1223107497 /nfs/dbraw/zinc/10/74/97/1223107497.db2.gz SLPLQDUJRYASOL-ICSRJNTNSA-N 1 2 341.455 2.456 20 30 EEEDLO C#CCO[C@H](C)C(=O)NCCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001095921714 1223156783 /nfs/dbraw/zinc/15/67/83/1223156783.db2.gz IZPLGDIYRCTVGK-MRXNPFEDSA-N 1 2 346.475 2.279 20 30 EEEDLO Cn1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC001010558234 1223781445 /nfs/dbraw/zinc/78/14/45/1223781445.db2.gz GUDDMFYHINDSJB-INIZCTEOSA-N 1 2 326.375 2.040 20 30 EEEDLO Cn1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC001010558234 1223781448 /nfs/dbraw/zinc/78/14/48/1223781448.db2.gz GUDDMFYHINDSJB-INIZCTEOSA-N 1 2 326.375 2.040 20 30 EEEDLO CCOC1CC(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001010864750 1223945750 /nfs/dbraw/zinc/94/57/50/1223945750.db2.gz CQQBOQOCNUPYQK-WIHSUSGWSA-N 1 2 345.418 2.203 20 30 EEEDLO CCOC1CC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001010864750 1223945753 /nfs/dbraw/zinc/94/57/53/1223945753.db2.gz CQQBOQOCNUPYQK-WIHSUSGWSA-N 1 2 345.418 2.203 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2nn(C)c3ccccc23)C1 ZINC001014448465 1226627536 /nfs/dbraw/zinc/62/75/36/1226627536.db2.gz WZCVJSXFFVOOLA-ZDUSSCGKSA-N 1 2 332.835 2.059 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2nn(C)c3ccccc23)C1 ZINC001014448465 1226627540 /nfs/dbraw/zinc/62/75/40/1226627540.db2.gz WZCVJSXFFVOOLA-ZDUSSCGKSA-N 1 2 332.835 2.059 20 30 EEEDLO Cn1nc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)cc1C1CC1 ZINC001014641711 1226871466 /nfs/dbraw/zinc/87/14/66/1226871466.db2.gz YJKSDTBTMYASQD-SFHVURJKSA-N 1 2 348.450 2.153 20 30 EEEDLO Cn1nc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cc1C1CC1 ZINC001014641711 1226871468 /nfs/dbraw/zinc/87/14/68/1226871468.db2.gz YJKSDTBTMYASQD-SFHVURJKSA-N 1 2 348.450 2.153 20 30 EEEDLO CCCc1nnc(C[N@H+](C)C[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)s1 ZINC001017070663 1227091046 /nfs/dbraw/zinc/09/10/46/1227091046.db2.gz IHOWYLFTVZCAFS-KGLIPLIRSA-N 1 2 349.504 2.321 20 30 EEEDLO CCCc1nnc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)s1 ZINC001017070663 1227091049 /nfs/dbraw/zinc/09/10/49/1227091049.db2.gz IHOWYLFTVZCAFS-KGLIPLIRSA-N 1 2 349.504 2.321 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ncnn2C)C1 ZINC001017201298 1227222972 /nfs/dbraw/zinc/22/29/72/1227222972.db2.gz GXFVRQFLDPXOKC-YJBOKZPZSA-N 1 2 333.480 2.088 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ncnn2C)C1 ZINC001017201298 1227222974 /nfs/dbraw/zinc/22/29/74/1227222974.db2.gz GXFVRQFLDPXOKC-YJBOKZPZSA-N 1 2 333.480 2.088 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cccc(=O)[nH]2)c1 ZINC001017447500 1227427779 /nfs/dbraw/zinc/42/77/79/1227427779.db2.gz YLNIWYTZJTUKGZ-CALCHBBNSA-N 1 2 348.406 2.148 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cccc(=O)[nH]2)c1 ZINC001017447500 1227427782 /nfs/dbraw/zinc/42/77/82/1227427782.db2.gz YLNIWYTZJTUKGZ-CALCHBBNSA-N 1 2 348.406 2.148 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCN(C)c2ccccc21 ZINC001017628494 1227584518 /nfs/dbraw/zinc/58/45/18/1227584518.db2.gz NAMJJLVSFNLJDN-ZIFCJYIRSA-N 1 2 337.467 2.309 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCN(C)c2ccccc21 ZINC001017628494 1227584524 /nfs/dbraw/zinc/58/45/24/1227584524.db2.gz NAMJJLVSFNLJDN-ZIFCJYIRSA-N 1 2 337.467 2.309 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COc2ccc(Cl)cc21 ZINC001017734345 1227687927 /nfs/dbraw/zinc/68/79/27/1227687927.db2.gz PMGQVJWFTWFNSL-IJEWVQPXSA-N 1 2 330.815 2.124 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COc2ccc(Cl)cc21 ZINC001017734345 1227687933 /nfs/dbraw/zinc/68/79/33/1227687933.db2.gz PMGQVJWFTWFNSL-IJEWVQPXSA-N 1 2 330.815 2.124 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1-c1ccccc1 ZINC001017777257 1227721359 /nfs/dbraw/zinc/72/13/59/1227721359.db2.gz SOOQAXKQNUVHBC-CALCHBBNSA-N 1 2 334.423 2.389 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1-c1ccccc1 ZINC001017777257 1227721362 /nfs/dbraw/zinc/72/13/62/1227721362.db2.gz SOOQAXKQNUVHBC-CALCHBBNSA-N 1 2 334.423 2.389 20 30 EEEDLO N#Cc1cccc(C[NH2+][C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)c1 ZINC001018878395 1228481300 /nfs/dbraw/zinc/48/13/00/1228481300.db2.gz MTPJSHGAPMOFRR-QWHCGFSZSA-N 1 2 329.297 2.149 20 30 EEEDLO N#Cc1cccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)c1 ZINC001018878395 1228481302 /nfs/dbraw/zinc/48/13/02/1228481302.db2.gz MTPJSHGAPMOFRR-QWHCGFSZSA-N 1 2 329.297 2.149 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC001018908935 1228513649 /nfs/dbraw/zinc/51/36/49/1228513649.db2.gz DSQXOWNTXHCAPH-SKDRFNHKSA-N 1 2 326.828 2.408 20 30 EEEDLO CCOC1CC(C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)C1 ZINC001038214913 1229691061 /nfs/dbraw/zinc/69/10/61/1229691061.db2.gz BXGVVLZMIZXGAL-XBMUEBEBSA-N 1 2 326.440 2.044 20 30 EEEDLO CCOC1CC(C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)C1 ZINC001038214913 1229691063 /nfs/dbraw/zinc/69/10/63/1229691063.db2.gz BXGVVLZMIZXGAL-XBMUEBEBSA-N 1 2 326.440 2.044 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCCc2c[nH]nc21 ZINC001038262425 1229709942 /nfs/dbraw/zinc/70/99/42/1229709942.db2.gz NEJSDBZCIWNBQQ-OALUTQOASA-N 1 2 348.450 2.072 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCCc2c[nH]nc21 ZINC001038262425 1229709946 /nfs/dbraw/zinc/70/99/46/1229709946.db2.gz NEJSDBZCIWNBQQ-OALUTQOASA-N 1 2 348.450 2.072 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001038528480 1229898552 /nfs/dbraw/zinc/89/85/52/1229898552.db2.gz QNIFNDSIDJBNES-FUHIMQAGSA-N 1 2 339.439 2.448 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001038528480 1229898558 /nfs/dbraw/zinc/89/85/58/1229898558.db2.gz QNIFNDSIDJBNES-FUHIMQAGSA-N 1 2 339.439 2.448 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2[C@H]2CCN(C3CCC3)C2=O)CC1 ZINC001038668927 1229963717 /nfs/dbraw/zinc/96/37/17/1229963717.db2.gz XXYBUTAQPCOHIR-MSOLQXFVSA-N 1 2 345.487 2.077 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2[C@H]2CCN(C3CCC3)C2=O)CC1 ZINC001038668927 1229963721 /nfs/dbraw/zinc/96/37/21/1229963721.db2.gz XXYBUTAQPCOHIR-MSOLQXFVSA-N 1 2 345.487 2.077 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1oc(C(C)C)nc1C ZINC001038711115 1229990538 /nfs/dbraw/zinc/99/05/38/1229990538.db2.gz UURINMUVDFSCBS-OAGGEKHMSA-N 1 2 347.459 2.388 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1oc(C(C)C)nc1C ZINC001038711115 1229990540 /nfs/dbraw/zinc/99/05/40/1229990540.db2.gz UURINMUVDFSCBS-OAGGEKHMSA-N 1 2 347.459 2.388 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(C3CC3)n[nH]2)c1 ZINC001038735938 1230008657 /nfs/dbraw/zinc/00/86/57/1230008657.db2.gz RMDAXPYBRFEVGJ-INIZCTEOSA-N 1 2 335.411 2.163 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(C3CC3)n[nH]2)c1 ZINC001038735938 1230008661 /nfs/dbraw/zinc/00/86/61/1230008661.db2.gz RMDAXPYBRFEVGJ-INIZCTEOSA-N 1 2 335.411 2.163 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)c1cccc2[nH]cnc21 ZINC001038835202 1230096805 /nfs/dbraw/zinc/09/68/05/1230096805.db2.gz BOXNRJQPXWWVGH-QGZVFWFLSA-N 1 2 344.418 2.419 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)c1cccc2[nH]cnc21 ZINC001038835202 1230096811 /nfs/dbraw/zinc/09/68/11/1230096811.db2.gz BOXNRJQPXWWVGH-QGZVFWFLSA-N 1 2 344.418 2.419 20 30 EEEDLO C=CCOc1cccnc1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccnc1 ZINC001038905009 1230151598 /nfs/dbraw/zinc/15/15/98/1230151598.db2.gz LYAOWQYBYVFESK-MRXNPFEDSA-N 1 2 338.411 2.046 20 30 EEEDLO C=CCOc1cccnc1C(=O)NC[C@H]1CC[N@H+]1Cc1cccnc1 ZINC001038905009 1230151600 /nfs/dbraw/zinc/15/16/00/1230151600.db2.gz LYAOWQYBYVFESK-MRXNPFEDSA-N 1 2 338.411 2.046 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnnc1 ZINC001039442660 1230612223 /nfs/dbraw/zinc/61/22/23/1230612223.db2.gz NDVJOMZFKNBNFY-MOPGFXCFSA-N 1 2 347.422 2.227 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnnc1 ZINC001039442660 1230612225 /nfs/dbraw/zinc/61/22/25/1230612225.db2.gz NDVJOMZFKNBNFY-MOPGFXCFSA-N 1 2 347.422 2.227 20 30 EEEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOc1ccccc1F ZINC001039531256 1230679807 /nfs/dbraw/zinc/67/98/07/1230679807.db2.gz KPRJTTUNGOHLCQ-OAGGEKHMSA-N 1 2 345.418 2.429 20 30 EEEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOc1ccccc1F ZINC001039531256 1230679809 /nfs/dbraw/zinc/67/98/09/1230679809.db2.gz KPRJTTUNGOHLCQ-OAGGEKHMSA-N 1 2 345.418 2.429 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCCO[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001041525595 1231581247 /nfs/dbraw/zinc/58/12/47/1231581247.db2.gz NXMDDBYJKOLNPY-QAPCUYQASA-N 1 2 332.448 2.417 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ncnn3CCC)C2)C1 ZINC001041543338 1231588469 /nfs/dbraw/zinc/58/84/69/1231588469.db2.gz ISHOXWJAAHQZMB-IBGZPJMESA-N 1 2 345.491 2.325 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@H+](Cc3ncnn3CCC)C2)C1 ZINC001041543338 1231588471 /nfs/dbraw/zinc/58/84/71/1231588471.db2.gz ISHOXWJAAHQZMB-IBGZPJMESA-N 1 2 345.491 2.325 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nn(CC)nc3C)[C@@H]2C1 ZINC001042181359 1231941170 /nfs/dbraw/zinc/94/11/70/1231941170.db2.gz GCYQRANQCRCWHV-NVXWUHKLSA-N 1 2 345.491 2.241 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nn(CC)nc3C)[C@@H]2C1 ZINC001042181359 1231941173 /nfs/dbraw/zinc/94/11/73/1231941173.db2.gz GCYQRANQCRCWHV-NVXWUHKLSA-N 1 2 345.491 2.241 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C)cn3)[C@@H]2C1 ZINC001042184099 1231942612 /nfs/dbraw/zinc/94/26/12/1231942612.db2.gz UAMTVOKXZBBGJV-HZPDHXFCSA-N 1 2 328.460 2.420 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C)cn3)[C@@H]2C1 ZINC001042184099 1231942615 /nfs/dbraw/zinc/94/26/15/1231942615.db2.gz UAMTVOKXZBBGJV-HZPDHXFCSA-N 1 2 328.460 2.420 20 30 EEEDLO Cc1ccc(OCC[NH+]2CC(N(C)C(=O)c3cc(C#N)c[nH]3)C2)cc1 ZINC001042589697 1232113754 /nfs/dbraw/zinc/11/37/54/1232113754.db2.gz MJNSRXUCDMLIIY-UHFFFAOYSA-N 1 2 338.411 2.030 20 30 EEEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001042589492 1232113811 /nfs/dbraw/zinc/11/38/11/1232113811.db2.gz HLLFBSWDYBHXLV-GOSISDBHSA-N 1 2 338.386 2.469 20 30 EEEDLO CN(C(=O)C1=CCCC1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001042611254 1232120222 /nfs/dbraw/zinc/12/02/22/1232120222.db2.gz XSYNXDMYEUZQFB-UHFFFAOYSA-N 1 2 325.412 2.342 20 30 EEEDLO CO[C@H](C[NH+]1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1)c1ccccc1 ZINC001042638480 1232126903 /nfs/dbraw/zinc/12/69/03/1232126903.db2.gz KDBAASJRHRDVGK-GOSISDBHSA-N 1 2 338.411 2.030 20 30 EEEDLO Cc1cc(N(CCCNC(=O)[C@H](C)C#N)C2CC2)nc(C2CC2)[nH+]1 ZINC001096016285 1233606107 /nfs/dbraw/zinc/60/61/07/1233606107.db2.gz KEBQROQXVBIHJX-GFCCVEGCSA-N 1 2 327.432 2.297 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2coc(C)n2)CC1 ZINC001045442669 1233748014 /nfs/dbraw/zinc/74/80/14/1233748014.db2.gz LAHRFZCPNANAAI-SJORKVTESA-N 1 2 347.459 2.435 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001045575098 1233829260 /nfs/dbraw/zinc/82/92/60/1233829260.db2.gz OUIPFWZBRQYWFG-HUUCEWRRSA-N 1 2 338.415 2.067 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CCCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC001067611755 1249310763 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/nfs/dbraw/zinc/42/03/30/1245420330.db2.gz QLXCEICMQHEYLV-CYBMUJFWSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(C)no3)C[C@@]2(C)C1 ZINC001101331475 1245672566 /nfs/dbraw/zinc/67/25/66/1245672566.db2.gz FXTVZBFCPAJDLY-JOQOYGCGSA-N 1 2 332.448 2.261 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(C)no3)C[C@@]2(C)C1 ZINC001101331475 1245672571 /nfs/dbraw/zinc/67/25/71/1245672571.db2.gz FXTVZBFCPAJDLY-JOQOYGCGSA-N 1 2 332.448 2.261 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC2(C[NH+](CC#CC)C2)n2ccnc21 ZINC001101630192 1246060711 /nfs/dbraw/zinc/06/07/11/1246060711.db2.gz AAAVBYKVMVTJPS-AWEZNQCLSA-N 1 2 346.862 2.257 20 30 EEEDLO Cc1cccn2cc(CC(=O)N(C)CCNc3ccc(C#N)cn3)[nH+]c12 ZINC001101685129 1246120877 /nfs/dbraw/zinc/12/08/77/1246120877.db2.gz ONAJIVLZVHIWJO-UHFFFAOYSA-N 1 2 348.410 2.022 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(C(F)F)nc1)CCO2 ZINC001053282009 1246138006 /nfs/dbraw/zinc/13/80/06/1246138006.db2.gz FUVQRSHGLHFQTJ-UHFFFAOYSA-N 1 2 337.370 2.122 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc3ccsc3[nH]1)CCO2 ZINC001053365025 1246239190 /nfs/dbraw/zinc/23/91/90/1246239190.db2.gz HSDPMLGMWUQEED-UHFFFAOYSA-N 1 2 331.441 2.332 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)C(CC)CC)C2)CC1 ZINC001051985497 1246344515 /nfs/dbraw/zinc/34/45/15/1246344515.db2.gz YLJYNEWWVFULMJ-MRXNPFEDSA-N 1 2 327.900 2.394 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)C3CCC3)C2)CC1 ZINC001052042488 1246411545 /nfs/dbraw/zinc/41/15/45/1246411545.db2.gz CGCGJNGKUYDFRH-NVXWUHKLSA-N 1 2 339.911 2.394 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)CC3(C)CC3)C2)CC1 ZINC001052052038 1246422846 /nfs/dbraw/zinc/42/28/46/1246422846.db2.gz GHJKYHLHHJKTMM-OAHLLOKOSA-N 1 2 325.884 2.148 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@]3(C)C=CCC3)C2)CC1 ZINC001052067849 1246440367 /nfs/dbraw/zinc/44/03/67/1246440367.db2.gz PTQYSCLGIPTRQN-SJLPKXTDSA-N 1 2 337.895 2.314 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(CCC)cc3)C2)CC1 ZINC001052073159 1246447682 /nfs/dbraw/zinc/44/76/82/1246447682.db2.gz FTVKWBVBYZHNQP-FQEVSTJZSA-N 1 2 339.483 2.104 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC(C)(C)C3)C2)CC1 ZINC001052077276 1246453925 /nfs/dbraw/zinc/45/39/25/1246453925.db2.gz QGANCHFGBPACRS-QZTJIDSGSA-N 1 2 331.504 2.055 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H](C)n3cccc3)C2)CC1 ZINC001052109827 1246490480 /nfs/dbraw/zinc/49/04/80/1246490480.db2.gz HYWVXMOSDVRHCW-MOPGFXCFSA-N 1 2 344.503 2.234 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C)c(C)c3)C2)CC1 ZINC001052114582 1246497551 /nfs/dbraw/zinc/49/75/51/1246497551.db2.gz NMMQQAKMBFXLAX-FQEVSTJZSA-N 1 2 339.483 2.159 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccnc1C1CC1)O2 ZINC001053623960 1246549309 /nfs/dbraw/zinc/54/93/09/1246549309.db2.gz FQKVOWIRTSUMND-MRXNPFEDSA-N 1 2 341.455 2.498 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(COC)cs1)O2 ZINC001053627064 1246554671 /nfs/dbraw/zinc/55/46/71/1246554671.db2.gz MDVWOFRIGPTAGA-CQSZACIVSA-N 1 2 336.457 2.044 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C)n(CC)c1C)O2 ZINC001053626770 1246555060 /nfs/dbraw/zinc/55/50/60/1246555060.db2.gz DNNXQYOQEOILIY-MRXNPFEDSA-N 1 2 331.460 2.274 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(C)onc1C1CC1)O2 ZINC001053629324 1246559003 /nfs/dbraw/zinc/55/90/03/1246559003.db2.gz MCPYCDOENJHCFT-AWEZNQCLSA-N 1 2 331.416 2.010 20 30 EEEDLO Cc1nc(NC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)c2c([nH+]1)CCCC2 ZINC001053653106 1246594521 /nfs/dbraw/zinc/59/45/21/1246594521.db2.gz GOJZMUZSVFAZBW-GZBFAFLISA-N 1 2 341.459 2.330 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(OC)cc1)O2 ZINC001053690104 1246657051 /nfs/dbraw/zinc/65/70/51/1246657051.db2.gz HNGSUZSRFDSJKR-QGZVFWFLSA-N 1 2 330.428 2.235 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccnc1OCC)O2 ZINC001053693982 1246664101 /nfs/dbraw/zinc/66/41/01/1246664101.db2.gz HLBHCAOQVPQATO-HNNXBMFYSA-N 1 2 345.443 2.020 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccccc1N(C)C)O2 ZINC001053703805 1246683776 /nfs/dbraw/zinc/68/37/76/1246683776.db2.gz MZUGKFPLNIMUTE-INIZCTEOSA-N 1 2 343.471 2.292 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccccc1CC)CO2 ZINC001053844755 1246894854 /nfs/dbraw/zinc/89/48/54/1246894854.db2.gz MFYBYYWMVVPFCS-GOSISDBHSA-N 1 2 328.456 2.327 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1Cc3ccc(F)cc31)CO2 ZINC001053908074 1246997419 /nfs/dbraw/zinc/99/74/19/1246997419.db2.gz JYGWTLWJGMVJLM-NVXWUHKLSA-N 1 2 330.403 2.001 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3ccccc3n1C)CO2 ZINC001053909134 1246999573 /nfs/dbraw/zinc/99/95/73/1246999573.db2.gz ICILUPCEFAYIGE-MRXNPFEDSA-N 1 2 339.439 2.328 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1OCc3ccccc31)CO2 ZINC001053996913 1247126920 /nfs/dbraw/zinc/12/69/20/1247126920.db2.gz RMQKVKCSMIWDBH-WMZOPIPTSA-N 1 2 342.439 2.184 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccccc1Cl)CO2 ZINC001054001725 1247133715 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EEEDLO C#CCN1Cc2ccccc2C[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001054044161 1247214669 /nfs/dbraw/zinc/21/46/69/1247214669.db2.gz TWUOBGFYZJBFOT-SFHVURJKSA-N 1 2 344.418 2.353 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001054044161 1247214679 /nfs/dbraw/zinc/21/46/79/1247214679.db2.gz TWUOBGFYZJBFOT-SFHVURJKSA-N 1 2 344.418 2.353 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001054044161 1247214693 /nfs/dbraw/zinc/21/46/93/1247214693.db2.gz TWUOBGFYZJBFOT-SFHVURJKSA-N 1 2 344.418 2.353 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccc2[nH]cnc21 ZINC001054057541 1247257678 /nfs/dbraw/zinc/25/76/78/1247257678.db2.gz OCMXZIXHDBAVPH-KRWDZBQOSA-N 1 2 344.418 2.353 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccc2[nH]cnc21 ZINC001054057541 1247257683 /nfs/dbraw/zinc/25/76/83/1247257683.db2.gz OCMXZIXHDBAVPH-KRWDZBQOSA-N 1 2 344.418 2.353 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1c[nH]c2cccnc12 ZINC001054057592 1247259267 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C=CCOCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(OC)nc1 ZINC001233490609 1304481957 /nfs/dbraw/zinc/48/19/57/1304481957.db2.gz SJNRPAMVPFUPLG-KRWDZBQOSA-N 1 2 347.459 2.106 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1nc2ccccc2o1 ZINC001233976503 1304663335 /nfs/dbraw/zinc/66/33/35/1304663335.db2.gz FYMWQKTZJYFIDK-AUUYWEPGSA-N 1 2 343.427 2.188 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1nc2ccccc2o1 ZINC001233976503 1304663338 /nfs/dbraw/zinc/66/33/38/1304663338.db2.gz FYMWQKTZJYFIDK-AUUYWEPGSA-N 1 2 343.427 2.188 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CCCNc1ncccc1C#N ZINC001115100123 1304678013 /nfs/dbraw/zinc/67/80/13/1304678013.db2.gz RWABOBIESMCLGL-KGLIPLIRSA-N 1 2 340.431 2.252 20 30 EEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CCCNc1ncccc1C#N ZINC001115100123 1304678022 /nfs/dbraw/zinc/67/80/22/1304678022.db2.gz RWABOBIESMCLGL-KGLIPLIRSA-N 1 2 340.431 2.252 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)C(C)C ZINC001234508459 1304945684 /nfs/dbraw/zinc/94/56/84/1304945684.db2.gz ALERSCUGUWSWGU-KRWDZBQOSA-N 1 2 335.492 2.154 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)C(C)C ZINC001234508459 1304945688 /nfs/dbraw/zinc/94/56/88/1304945688.db2.gz ALERSCUGUWSWGU-KRWDZBQOSA-N 1 2 335.492 2.154 20 30 EEEDLO C=CCN1CC[C@H](OC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1=O ZINC000798624949 1305043060 /nfs/dbraw/zinc/04/30/60/1305043060.db2.gz OIGBIPMWESSHHH-MSOLQXFVSA-N 1 2 342.439 2.371 20 30 EEEDLO C=CCN1CC[C@H](OC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1=O ZINC000798624949 1305043068 /nfs/dbraw/zinc/04/30/68/1305043068.db2.gz OIGBIPMWESSHHH-MSOLQXFVSA-N 1 2 342.439 2.371 20 30 EEEDLO Cn1c[nH+]cc1CN1C[C@]2(CC1=O)CCCCN2c1ccccc1C#N ZINC001278018758 1305699317 /nfs/dbraw/zinc/69/93/17/1305699317.db2.gz GKBOCRLBDJXPPC-HXUWFJFHSA-N 1 2 349.438 2.453 20 30 EEEDLO Cn1c[nH+]cc1CNC(=O)[C@H]1CC12CCN(c1ccc(C#N)cc1)CC2 ZINC001278023308 1305712354 /nfs/dbraw/zinc/71/23/54/1305712354.db2.gz RMSLMEBXPMYJNY-GOSISDBHSA-N 1 2 349.438 2.215 20 30 EEEDLO Cc1nccnc1O[C@H]1CCC[N@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237611835 1306002929 /nfs/dbraw/zinc/00/29/29/1306002929.db2.gz SRTCBYCZMAASCV-KRWDZBQOSA-N 1 2 348.410 2.348 20 30 EEEDLO Cc1nccnc1O[C@H]1CCC[N@@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237611835 1306002936 /nfs/dbraw/zinc/00/29/36/1306002936.db2.gz SRTCBYCZMAASCV-KRWDZBQOSA-N 1 2 348.410 2.348 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(C)C[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001120475867 1309568866 /nfs/dbraw/zinc/56/88/66/1309568866.db2.gz HNYXCKAYTGIGCV-OLZOCXBDSA-N 1 2 334.468 2.107 20 30 EEEDLO C[C@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)Nc1ncccc1C#N ZINC001120760192 1309734437 /nfs/dbraw/zinc/73/44/37/1309734437.db2.gz XSLGUWICACQHAY-KGLIPLIRSA-N 1 2 326.404 2.060 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)c4cccnc34)n2C)CC1 ZINC001121517312 1310039130 /nfs/dbraw/zinc/03/91/30/1310039130.db2.gz ZQTAZRWYLJWZNF-UHFFFAOYSA-N 1 2 346.438 2.094 20 30 EEEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@H](C)CC#N ZINC001121685134 1310103174 /nfs/dbraw/zinc/10/31/74/1310103174.db2.gz ZWMBVIYVXWMWMY-OAHLLOKOSA-N 1 2 341.463 2.296 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)CCOC(C)(C)C ZINC001121714669 1310117548 /nfs/dbraw/zinc/11/75/48/1310117548.db2.gz ABBKTOOEVNZWAK-UHFFFAOYSA-N 1 2 332.452 2.040 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+][C@H](C)c1nc(CCCC)no1 ZINC001124495470 1310910062 /nfs/dbraw/zinc/91/00/62/1310910062.db2.gz PDSIDHGGGDLMNG-ZIAGYGMSSA-N 1 2 338.452 2.160 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(CC3CCCC3)n2CC2CC2)CC1 ZINC000830872852 1314553442 /nfs/dbraw/zinc/55/34/42/1314553442.db2.gz FUBZOBWMLRDWFR-UHFFFAOYSA-N 1 2 327.476 2.176 20 30 EEEDLO C=CCOC(=O)N1CC[NH+](Cc2cc(OC)c(OC)cc2C)CC1 ZINC001138439975 1314611939 /nfs/dbraw/zinc/61/19/39/1314611939.db2.gz ABQWFCNOIYWKON-UHFFFAOYSA-N 1 2 334.416 2.452 20 30 EEEDLO C#CCCCC(=O)NC[C@H]1C[N@H+](Cc2ccc(Cl)nc2)CCCO1 ZINC001149638627 1316002933 /nfs/dbraw/zinc/00/29/33/1316002933.db2.gz HNEKRLJSTXPDBM-INIZCTEOSA-N 1 2 349.862 2.246 20 30 EEEDLO C#CCCCC(=O)NC[C@H]1C[N@@H+](Cc2ccc(Cl)nc2)CCCO1 ZINC001149638627 1316002935 /nfs/dbraw/zinc/00/29/35/1316002935.db2.gz HNEKRLJSTXPDBM-INIZCTEOSA-N 1 2 349.862 2.246 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCO[C@H](CNC(=O)C#CC(C)C)C2)sc1C ZINC001149674506 1316012089 /nfs/dbraw/zinc/01/20/89/1316012089.db2.gz XDBHGKUJFVOHCA-MRXNPFEDSA-N 1 2 349.500 2.126 20 30 EEEDLO Cc1nc(C[N@H+]2CCCO[C@H](CNC(=O)C#CC(C)C)C2)sc1C ZINC001149674506 1316012093 /nfs/dbraw/zinc/01/20/93/1316012093.db2.gz XDBHGKUJFVOHCA-MRXNPFEDSA-N 1 2 349.500 2.126 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](OCC)C(C)C)C1 ZINC001149721876 1316025865 /nfs/dbraw/zinc/02/58/65/1316025865.db2.gz UCKJRFGCBMHPOR-CABCVRRESA-N 1 2 332.872 2.007 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](OCC)C(C)C)C1 ZINC001149721876 1316025871 /nfs/dbraw/zinc/02/58/71/1316025871.db2.gz UCKJRFGCBMHPOR-CABCVRRESA-N 1 2 332.872 2.007 20 30 EEEDLO CC#CCCCC(=O)NC[C@@H]1C[N@H+](Cc2ncc(C)s2)CCCO1 ZINC001150165140 1316186113 /nfs/dbraw/zinc/18/61/13/1316186113.db2.gz ICOXZVQCJRRHTO-MRXNPFEDSA-N 1 2 349.500 2.352 20 30 EEEDLO CC#CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ncc(C)s2)CCCO1 ZINC001150165140 1316186115 /nfs/dbraw/zinc/18/61/15/1316186115.db2.gz ICOXZVQCJRRHTO-MRXNPFEDSA-N 1 2 349.500 2.352 20 30 EEEDLO C=CCCC(=O)NC1(CCOC)CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC001151014435 1316430124 /nfs/dbraw/zinc/43/01/24/1316430124.db2.gz MKCMNFGSXRRLMA-MRXNPFEDSA-N 1 2 346.475 2.491 20 30 EEEDLO CC[N@H+](Cc1nc(C)cs1)[C@H](C)CNC(=O)CSCC#N ZINC001151966208 1316614512 /nfs/dbraw/zinc/61/45/12/1316614512.db2.gz XYKSJXNNEGLIIX-GFCCVEGCSA-N 1 2 326.491 2.035 20 30 EEEDLO CC[N@@H+](Cc1nc(C)cs1)[C@H](C)CNC(=O)CSCC#N ZINC001151966208 1316614514 /nfs/dbraw/zinc/61/45/14/1316614514.db2.gz XYKSJXNNEGLIIX-GFCCVEGCSA-N 1 2 326.491 2.035 20 30 EEEDLO C=C[C@@H](C(=O)NCC[NH2+]Cc1nnc(C(C)C)o1)c1ccccc1 ZINC001151990904 1316617807 /nfs/dbraw/zinc/61/78/07/1316617807.db2.gz SAGWLNYDGMDFNN-OAHLLOKOSA-N 1 2 328.416 2.369 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCCO1 ZINC001152750486 1316717624 /nfs/dbraw/zinc/71/76/24/1316717624.db2.gz ZGWVXESSVINABE-CHWSQXEVSA-N 1 2 333.270 2.291 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCCO1 ZINC001152750486 1316717629 /nfs/dbraw/zinc/71/76/29/1316717629.db2.gz ZGWVXESSVINABE-CHWSQXEVSA-N 1 2 333.270 2.291 20 30 EEEDLO CCc1cnc(C[N@@H+](CC)[C@H](C)CNC(=O)c2ccc(C#N)[nH]2)o1 ZINC001152789508 1316724362 /nfs/dbraw/zinc/72/43/62/1316724362.db2.gz JBDVCGYGBGOZFC-GFCCVEGCSA-N 1 2 329.404 2.077 20 30 EEEDLO CCc1cnc(C[N@H+](CC)[C@H](C)CNC(=O)c2ccc(C#N)[nH]2)o1 ZINC001152789508 1316724363 /nfs/dbraw/zinc/72/43/63/1316724363.db2.gz JBDVCGYGBGOZFC-GFCCVEGCSA-N 1 2 329.404 2.077 20 30 EEEDLO CC[N@H+](Cc1nc(C)c(C)o1)[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 ZINC001152855235 1316734511 /nfs/dbraw/zinc/73/45/11/1316734511.db2.gz ZEINUGJFRCBCKK-LLVKDONJSA-N 1 2 329.404 2.132 20 30 EEEDLO CC[N@@H+](Cc1nc(C)c(C)o1)[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 ZINC001152855235 1316734514 /nfs/dbraw/zinc/73/45/14/1316734514.db2.gz ZEINUGJFRCBCKK-LLVKDONJSA-N 1 2 329.404 2.132 20 30 EEEDLO CC[N@H+](Cc1nc(-c2ccoc2)no1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153233183 1316795151 /nfs/dbraw/zinc/79/51/51/1316795151.db2.gz WYJKLJYOFMDVDX-CYBMUJFWSA-N 1 2 342.399 2.070 20 30 EEEDLO CC[N@@H+](Cc1nc(-c2ccoc2)no1)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153233183 1316795154 /nfs/dbraw/zinc/79/51/54/1316795154.db2.gz WYJKLJYOFMDVDX-CYBMUJFWSA-N 1 2 342.399 2.070 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cn(CC)nn1 ZINC001153588240 1316847657 /nfs/dbraw/zinc/84/76/57/1316847657.db2.gz PWRFULYWUMXMFZ-GFCCVEGCSA-N 1 2 341.887 2.403 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1cn(CC)nn1 ZINC001153588240 1316847658 /nfs/dbraw/zinc/84/76/58/1316847658.db2.gz PWRFULYWUMXMFZ-GFCCVEGCSA-N 1 2 341.887 2.403 20 30 EEEDLO C#CC[C@H](CC(=O)NCC[NH2+]Cc1nnc(CC)o1)c1ccccc1 ZINC001153714319 1316868037 /nfs/dbraw/zinc/86/80/37/1316868037.db2.gz JGNFOFIEEBUPIF-MRXNPFEDSA-N 1 2 340.427 2.035 20 30 EEEDLO C=CCOC[C@@H](O)C[NH2+][C@@H](CC(C)C)C(=O)OCc1ccccc1 ZINC001252450830 1317603957 /nfs/dbraw/zinc/60/39/57/1317603957.db2.gz IQSCMNDNAJJZPN-ROUUACIJSA-N 1 2 335.444 2.298 20 30 EEEDLO C=C[C@@H](O)CNc1ccc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)[nH+]c1 ZINC001253572621 1317885086 /nfs/dbraw/zinc/88/50/86/1317885086.db2.gz BUGFYRZWGZZGQP-HUUCEWRRSA-N 1 2 348.447 2.144 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1csnc1OC ZINC001157217293 1318495572 /nfs/dbraw/zinc/49/55/72/1318495572.db2.gz MQLPYERXQJDGHM-CHWSQXEVSA-N 1 2 341.477 2.069 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1csnc1OC ZINC001157217293 1318495579 /nfs/dbraw/zinc/49/55/79/1318495579.db2.gz MQLPYERXQJDGHM-CHWSQXEVSA-N 1 2 341.477 2.069 20 30 EEEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001256450452 1318741716 /nfs/dbraw/zinc/74/17/16/1318741716.db2.gz VLHGAWHMQMMILJ-AGIUHOORSA-N 1 2 346.493 2.226 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc(C)oc1C ZINC001157876772 1318913087 /nfs/dbraw/zinc/91/30/87/1318913087.db2.gz YUYDTAYRGZHHBX-APWZRJJASA-N 1 2 349.475 2.431 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc(C)oc1C ZINC001157876772 1318913091 /nfs/dbraw/zinc/91/30/91/1318913091.db2.gz YUYDTAYRGZHHBX-APWZRJJASA-N 1 2 349.475 2.431 20 30 EEEDLO CCOC(=O)[C@@H]([NH2+]C1CCC(c2ccc(C#N)cc2)CC1)[C@@H](C)O ZINC001257011709 1318917506 /nfs/dbraw/zinc/91/75/06/1318917506.db2.gz ZBZHTCPGXVSLCU-BQPQTXTPSA-N 1 2 330.428 2.487 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cnnn1C ZINC001158370564 1319208279 /nfs/dbraw/zinc/20/82/79/1319208279.db2.gz VGMOXSNPSSAYHK-HZPDHXFCSA-N 1 2 333.480 2.230 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cnnn1C ZINC001158370564 1319208284 /nfs/dbraw/zinc/20/82/84/1319208284.db2.gz VGMOXSNPSSAYHK-HZPDHXFCSA-N 1 2 333.480 2.230 20 30 EEEDLO Cc1ccc([C@H](C#N)c2ccc(NC[C@@H]3COCC[N@H+]3C)nn2)cc1 ZINC001158700877 1319385261 /nfs/dbraw/zinc/38/52/61/1319385261.db2.gz SHMRQFHADRAYMZ-SJORKVTESA-N 1 2 337.427 2.183 20 30 EEEDLO Cc1ccc([C@H](C#N)c2ccc(NC[C@@H]3COCC[N@@H+]3C)nn2)cc1 ZINC001158700877 1319385271 /nfs/dbraw/zinc/38/52/71/1319385271.db2.gz SHMRQFHADRAYMZ-SJORKVTESA-N 1 2 337.427 2.183 20 30 EEEDLO C=CCCC(=O)NCCC1=CC[N@H+]([C@@H](C)c2nc(COC)no2)CC1 ZINC001159544209 1319873269 /nfs/dbraw/zinc/87/32/69/1319873269.db2.gz LGVCGZRXFIBVSE-AWEZNQCLSA-N 1 2 348.447 2.382 20 30 EEEDLO C=CCCC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nc(COC)no2)CC1 ZINC001159544209 1319873279 /nfs/dbraw/zinc/87/32/79/1319873279.db2.gz LGVCGZRXFIBVSE-AWEZNQCLSA-N 1 2 348.447 2.382 20 30 EEEDLO C#CCC1(C(=O)NCCC[NH2+]Cc2noc(C(C)(C)C)n2)CCC1 ZINC001159638169 1319929148 /nfs/dbraw/zinc/92/91/48/1319929148.db2.gz KBJYLPHIPKKKNC-UHFFFAOYSA-N 1 2 332.448 2.157 20 30 EEEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cc(Cl)nc3nc[nH]c32)cc1 ZINC001159856785 1320005930 /nfs/dbraw/zinc/00/59/30/1320005930.db2.gz XOCXSFJWYMZJRZ-UHFFFAOYSA-N 1 2 329.747 2.435 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NCCC1=CC[N@H+](Cc2ncc(CC)o2)CC1 ZINC001159979966 1320040367 /nfs/dbraw/zinc/04/03/67/1320040367.db2.gz YPWJRKGHUMNTNG-IBGZPJMESA-N 1 2 347.459 2.203 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NCCC1=CC[N@@H+](Cc2ncc(CC)o2)CC1 ZINC001159979966 1320040371 /nfs/dbraw/zinc/04/03/71/1320040371.db2.gz YPWJRKGHUMNTNG-IBGZPJMESA-N 1 2 347.459 2.203 20 30 EEEDLO C=CCC(CC=C)C(=O)NCCC1=CC[N@H+](Cc2cnon2)CC1 ZINC001160253414 1320112428 /nfs/dbraw/zinc/11/24/28/1320112428.db2.gz SLVYOMGZUYLZCS-UHFFFAOYSA-N 1 2 330.432 2.476 20 30 EEEDLO C=CCC(CC=C)C(=O)NCCC1=CC[N@@H+](Cc2cnon2)CC1 ZINC001160253414 1320112433 /nfs/dbraw/zinc/11/24/33/1320112433.db2.gz SLVYOMGZUYLZCS-UHFFFAOYSA-N 1 2 330.432 2.476 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001161978503 1320705624 /nfs/dbraw/zinc/70/56/24/1320705624.db2.gz WPANMMBOXNPMSO-UONOGXRCSA-N 1 2 348.447 2.169 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001161978503 1320705628 /nfs/dbraw/zinc/70/56/28/1320705628.db2.gz WPANMMBOXNPMSO-UONOGXRCSA-N 1 2 348.447 2.169 20 30 EEEDLO C=CCOC(=O)N1CCC2(CN(c3cc(COC)cc[nH+]3)C2)CC1 ZINC001163863712 1321234711 /nfs/dbraw/zinc/23/47/11/1321234711.db2.gz IUYDGQLBWWEEDM-UHFFFAOYSA-N 1 2 331.416 2.453 20 30 EEEDLO Cc1cnc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C#N)c1 ZINC001163895511 1321241640 /nfs/dbraw/zinc/24/16/40/1321241640.db2.gz MSLPZCNSLRKHOQ-UHFFFAOYSA-N 1 2 336.395 2.313 20 30 EEEDLO C=CCN(C)c1nnc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC(C)C ZINC001263395470 1322475229 /nfs/dbraw/zinc/47/52/29/1322475229.db2.gz YLBYJKRXVUVESG-CVEARBPZSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCN(C)c1nnc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC(C)C ZINC001263395470 1322475233 /nfs/dbraw/zinc/47/52/33/1322475233.db2.gz YLBYJKRXVUVESG-CVEARBPZSA-N 1 2 333.480 2.482 20 30 EEEDLO CC#CCCCC(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001209145880 1324820854 /nfs/dbraw/zinc/82/08/54/1324820854.db2.gz IUXDSJHYVITGAU-HNNXBMFYSA-N 1 2 330.432 2.221 20 30 EEEDLO C=CCCCC[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C(=O)OC ZINC001209207109 1324853863 /nfs/dbraw/zinc/85/38/63/1324853863.db2.gz MBGWGOAVUSKHAV-KBPBESRZSA-N 1 2 326.437 2.483 20 30 EEEDLO C=CCCCC[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C(=O)OC ZINC001209207109 1324853870 /nfs/dbraw/zinc/85/38/70/1324853870.db2.gz MBGWGOAVUSKHAV-KBPBESRZSA-N 1 2 326.437 2.483 20 30 EEEDLO N#Cc1ccc(Nc2ccc(N3CC[NH+](C4COC4)CC3)cc2)cn1 ZINC001209645776 1324998515 /nfs/dbraw/zinc/99/85/15/1324998515.db2.gz AMUBUHHPDWBTSH-UHFFFAOYSA-N 1 2 335.411 2.218 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001296655425 1329907620 /nfs/dbraw/zinc/90/76/20/1329907620.db2.gz HCXGYVNYFNLCQH-HUUCEWRRSA-N 1 2 346.475 2.298 20 30 EEEDLO C[N@H+](CCNC(=O)c1c(F)cncc1F)Cc1ccc(C#N)cc1F ZINC001492262998 1331124416 /nfs/dbraw/zinc/12/44/16/1331124416.db2.gz VQOPMQPSIXUSTB-UHFFFAOYSA-N 1 2 348.328 2.232 20 30 EEEDLO C[N@@H+](CCNC(=O)c1c(F)cncc1F)Cc1ccc(C#N)cc1F ZINC001492262998 1331124419 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C=C(C)C[NH+]1CC(OC2CCN(C(=O)/C=C\c3ccc[nH]3)CC2)C1 ZINC001093531202 1368117194 /nfs/dbraw/zinc/11/71/94/1368117194.db2.gz QDYCKOMXQSISJI-WAYWQWQTSA-N 1 2 329.444 2.296 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cc(F)cc(F)c2OC)C1=O ZINC001273556622 1368288977 /nfs/dbraw/zinc/28/89/77/1368288977.db2.gz FXVLSVYDUFFBDQ-GOSISDBHSA-N 1 2 334.366 2.174 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)cc(F)c2OC)C1=O ZINC001273556622 1368288982 /nfs/dbraw/zinc/28/89/82/1368288982.db2.gz FXVLSVYDUFFBDQ-GOSISDBHSA-N 1 2 334.366 2.174 20 30 EEEDLO C=C(Cl)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)CCC(C)C)n1 ZINC001489070837 1369123407 /nfs/dbraw/zinc/12/34/07/1369123407.db2.gz MEKVNFHQQXZAMC-UHFFFAOYSA-N 1 2 326.828 2.077 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCCN1c1cccc(F)c1C#N ZINC001069376383 1370098493 /nfs/dbraw/zinc/09/84/93/1370098493.db2.gz WPNXXMZRWKUACP-BBRMVZONSA-N 1 2 341.390 2.068 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)C)CCCC1 ZINC001111518109 1371163350 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336.395 2.064 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCCO[C@@H](C)C1 ZINC001122536597 1372057591 /nfs/dbraw/zinc/05/75/91/1372057591.db2.gz HVEADWGIRJCDDN-INIZCTEOSA-N 1 2 333.480 2.455 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000830189268 1372318188 /nfs/dbraw/zinc/31/81/88/1372318188.db2.gz DFUGKZQFMUDUGZ-HZSPNIEDSA-N 1 2 325.453 2.007 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000830189268 1372318191 /nfs/dbraw/zinc/31/81/91/1372318191.db2.gz DFUGKZQFMUDUGZ-HZSPNIEDSA-N 1 2 325.453 2.007 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)cc1F ZINC001139530285 1372512888 /nfs/dbraw/zinc/51/28/88/1372512888.db2.gz BVNGJTQAAUWGHY-MRXNPFEDSA-N 1 2 330.407 2.467 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)cc1F ZINC001139530285 1372512892 /nfs/dbraw/zinc/51/28/92/1372512892.db2.gz BVNGJTQAAUWGHY-MRXNPFEDSA-N 1 2 330.407 2.467 20 30 EEEDLO CCOc1ncccc1C(=O)NCC[N@H+](C)Cc1ccccc1C#N 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TZDTWWFKCFUDDS-QGZVFWFLSA-N 1 2 327.428 2.065 20 30 EEEDLO COCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CCC1 ZINC001370005530 1374747518 /nfs/dbraw/zinc/74/75/18/1374747518.db2.gz TZDTWWFKCFUDDS-QGZVFWFLSA-N 1 2 327.428 2.065 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ncn(-c2ccccc2)n1 ZINC001372357348 1375959483 /nfs/dbraw/zinc/95/94/83/1375959483.db2.gz JIKMZOVZQWAHCE-UHFFFAOYSA-N 1 2 333.823 2.072 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ncn(-c2ccccc2)n1 ZINC001372357348 1375959486 /nfs/dbraw/zinc/95/94/86/1375959486.db2.gz JIKMZOVZQWAHCE-UHFFFAOYSA-N 1 2 333.823 2.072 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnn2c1nc(C)cc2C ZINC001372389553 1375976544 /nfs/dbraw/zinc/97/65/44/1375976544.db2.gz JUVHKMCQUQNWCO-UHFFFAOYSA-N 1 2 335.839 2.150 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnn2c1nc(C)cc2C ZINC001372389553 1375976547 /nfs/dbraw/zinc/97/65/47/1375976547.db2.gz JUVHKMCQUQNWCO-UHFFFAOYSA-N 1 2 335.839 2.150 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)c1cccn1C ZINC001374465915 1376842983 /nfs/dbraw/zinc/84/29/83/1376842983.db2.gz WQNLRAIXPYWKKF-UHFFFAOYSA-N 1 2 328.391 2.240 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)c1cccn1C ZINC001374465915 1376842988 /nfs/dbraw/zinc/84/29/88/1376842988.db2.gz WQNLRAIXPYWKKF-UHFFFAOYSA-N 1 2 328.391 2.240 20 30 EEEDLO C[N@H+](CCNC(=O)c1cc(C(F)F)n[nH]1)Cc1ccccc1C#N ZINC001377214111 1379042230 /nfs/dbraw/zinc/04/22/30/1379042230.db2.gz JESVXSROWFMMJS-UHFFFAOYSA-N 1 2 333.342 2.081 20 30 EEEDLO C[N@@H+](CCNC(=O)c1cc(C(F)F)n[nH]1)Cc1ccccc1C#N ZINC001377214111 1379042236 /nfs/dbraw/zinc/04/22/36/1379042236.db2.gz JESVXSROWFMMJS-UHFFFAOYSA-N 1 2 333.342 2.081 20 30 EEEDLO COCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001377823010 1379532813 /nfs/dbraw/zinc/53/28/13/1379532813.db2.gz FBZZDBFYXYANFP-QGZVFWFLSA-N 1 2 329.444 2.311 20 30 EEEDLO COCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001377823010 1379532819 /nfs/dbraw/zinc/53/28/19/1379532819.db2.gz FBZZDBFYXYANFP-QGZVFWFLSA-N 1 2 329.444 2.311 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)CCOC)C1 ZINC001378204837 1379785269 /nfs/dbraw/zinc/78/52/69/1379785269.db2.gz RHDJMTTUQDIFPN-CYBMUJFWSA-N 1 2 347.297 2.490 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)CCOC)C1 ZINC001378204837 1379785272 /nfs/dbraw/zinc/78/52/72/1379785272.db2.gz RHDJMTTUQDIFPN-CYBMUJFWSA-N 1 2 347.297 2.490 20 30 EEEDLO COCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1cc(F)ccc1Cl ZINC001382544229 1382130860 /nfs/dbraw/zinc/13/08/60/1382130860.db2.gz NGBKOQOPOWAWJE-GFCCVEGCSA-N 1 2 341.814 2.203 20 30 EEEDLO COCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1cc(F)ccc1Cl ZINC001382544229 1382130862 /nfs/dbraw/zinc/13/08/62/1382130862.db2.gz NGBKOQOPOWAWJE-GFCCVEGCSA-N 1 2 341.814 2.203 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N(C)C1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001752299962 1406269586 /nfs/dbraw/zinc/26/95/86/1406269586.db2.gz QTIXUOJHWDTOSZ-AWEZNQCLSA-N 1 2 345.443 2.013 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1c(F)cccc1F ZINC001753102265 1406688764 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770340990 /nfs/dbraw/zinc/34/09/90/770340990.db2.gz LPBLPDGWENNCPY-SJLPKXTDSA-N 1 2 340.402 2.444 20 30 EEEDLO C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031637854 770523816 /nfs/dbraw/zinc/52/38/16/770523816.db2.gz OHLQFNLOCOXRDB-HNAYVOBHSA-N 1 2 344.430 2.040 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001027827911 770846249 /nfs/dbraw/zinc/84/62/49/770846249.db2.gz BSBLMRPVHBAOJJ-STQMWFEESA-N 1 2 331.254 2.045 20 30 EEEDLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)Nc1ccc(C#N)cn1 ZINC001098175250 783032597 /nfs/dbraw/zinc/03/25/97/783032597.db2.gz MTFXAZHELGYQRQ-AWEZNQCLSA-N 1 2 346.394 2.369 20 30 EEEDLO CCN(c1nc(C)[nH+]c2c1CCCC2)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001089623986 773557411 /nfs/dbraw/zinc/55/74/11/773557411.db2.gz YAZMGYVPKGZYFH-CHWSQXEVSA-N 1 2 329.448 2.155 20 30 EEEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1nnn(C)c1C ZINC001089624798 773566272 /nfs/dbraw/zinc/56/62/72/773566272.db2.gz HSXIIZOZTXUGPE-CYBMUJFWSA-N 1 2 339.871 2.096 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1nnn(C)c1C ZINC001089624798 773566280 /nfs/dbraw/zinc/56/62/80/773566280.db2.gz HSXIIZOZTXUGPE-CYBMUJFWSA-N 1 2 339.871 2.096 20 30 EEEDLO CCc1ncsc1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031715682 773588387 /nfs/dbraw/zinc/58/83/87/773588387.db2.gz ZNFFEVKBVYOCKI-UHFFFAOYSA-N 1 2 340.452 2.439 20 30 EEEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cnnn1CC ZINC001089637839 773643035 /nfs/dbraw/zinc/64/30/35/773643035.db2.gz PWGGANMMSVBSPV-CYBMUJFWSA-N 1 2 339.871 2.271 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cnnn1CC ZINC001089637839 773643037 /nfs/dbraw/zinc/64/30/37/773643037.db2.gz PWGGANMMSVBSPV-CYBMUJFWSA-N 1 2 339.871 2.271 20 30 EEEDLO C[C@H](CCCCNc1ncccc1C#N)NC(=O)CCn1cc[nH+]c1 ZINC001090124891 783121002 /nfs/dbraw/zinc/12/10/02/783121002.db2.gz AVJMJVSCNQTBAU-OAHLLOKOSA-N 1 2 340.431 2.327 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC000938694767 774420859 /nfs/dbraw/zinc/42/08/59/774420859.db2.gz DEVDTWAVTWAWKR-AWEZNQCLSA-N 1 2 338.411 2.021 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc2[nH]c(C)nc2c1 ZINC001027924308 774466551 /nfs/dbraw/zinc/46/65/51/774466551.db2.gz GZDFLFWZYYRXHX-CYBMUJFWSA-N 1 2 333.823 2.213 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2[nH]c(C)nc2c1 ZINC001027924308 774466553 /nfs/dbraw/zinc/46/65/53/774466553.db2.gz GZDFLFWZYYRXHX-CYBMUJFWSA-N 1 2 333.823 2.213 20 30 EEEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cn(CC)nn1 ZINC001089718069 774679314 /nfs/dbraw/zinc/67/93/14/774679314.db2.gz JUYXHZIBHMBETE-ZDUSSCGKSA-N 1 2 339.871 2.271 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cn(CC)nn1 ZINC001089718069 774679320 /nfs/dbraw/zinc/67/93/20/774679320.db2.gz JUYXHZIBHMBETE-ZDUSSCGKSA-N 1 2 339.871 2.271 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CCOCC3)CC2)c(F)c1 ZINC000980613346 774997295 /nfs/dbraw/zinc/99/72/95/774997295.db2.gz VJMLQUSVVCNWKA-UHFFFAOYSA-N 1 2 345.418 2.158 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3CCOCC3)CC2)c(F)c1 ZINC000980613346 774997299 /nfs/dbraw/zinc/99/72/99/774997299.db2.gz VJMLQUSVVCNWKA-UHFFFAOYSA-N 1 2 345.418 2.158 20 30 EEEDLO Cc1nnsc1C(=O)N1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC000980688617 775193185 /nfs/dbraw/zinc/19/31/85/775193185.db2.gz JXYUDIQMFAZHEO-UHFFFAOYSA-N 1 2 341.440 2.066 20 30 EEEDLO Cc1nnsc1C(=O)N1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC000980688617 775193193 /nfs/dbraw/zinc/19/31/93/775193193.db2.gz JXYUDIQMFAZHEO-UHFFFAOYSA-N 1 2 341.440 2.066 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)C3=COCCC3)CC2)c1 ZINC000980819531 775721379 /nfs/dbraw/zinc/72/13/79/775721379.db2.gz VTWYZUHWVOBWGE-UHFFFAOYSA-N 1 2 343.402 2.426 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)C3=COCCC3)CC2)c1 ZINC000980819531 775721383 /nfs/dbraw/zinc/72/13/83/775721383.db2.gz VTWYZUHWVOBWGE-UHFFFAOYSA-N 1 2 343.402 2.426 20 30 EEEDLO C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000939178355 775845324 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335.473 2.123 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1nc(C)cs1 ZINC001028142866 778403017 /nfs/dbraw/zinc/40/30/17/778403017.db2.gz SBOXEUFFEQAWEW-KFWWJZLASA-N 1 2 335.473 2.123 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091407955 790619635 /nfs/dbraw/zinc/61/96/35/790619635.db2.gz DFFAIJUFNAYHGU-OKILXGFUSA-N 1 2 346.479 2.155 20 30 EEEDLO C[C@@H]1COCC[C@@H]1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981905285 778513323 /nfs/dbraw/zinc/51/33/23/778513323.db2.gz LJDGMMLYPMIKEQ-QUCCMNQESA-N 1 2 340.467 2.245 20 30 EEEDLO C[C@@H]1COCC[C@@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981905285 778513328 /nfs/dbraw/zinc/51/33/28/778513328.db2.gz LJDGMMLYPMIKEQ-QUCCMNQESA-N 1 2 340.467 2.245 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1nc(C)oc1C ZINC001028195751 778831301 /nfs/dbraw/zinc/83/13/01/778831301.db2.gz URNFHBVFDABLFX-BQFCYCMXSA-N 1 2 347.459 2.353 20 30 EEEDLO 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C=C1CCC(C(=O)N2C[C@H]([NH2+]Cc3nc(C)no3)C(C)(C)C2)CC1 ZINC000996230300 786152350 /nfs/dbraw/zinc/15/23/50/786152350.db2.gz AJKUETZMBRSWJT-HNNXBMFYSA-N 1 2 332.448 2.451 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2F)[C@@H](O)C1 ZINC001090534019 786428146 /nfs/dbraw/zinc/42/81/46/786428146.db2.gz LOSVJCXCOQJHIK-STQMWFEESA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2F)[C@@H](O)C1 ZINC001090534019 786428154 /nfs/dbraw/zinc/42/81/54/786428154.db2.gz LOSVJCXCOQJHIK-STQMWFEESA-N 1 2 347.217 2.397 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3(CC=C)CCCCC3)nn2)C1 ZINC001107238029 786589268 /nfs/dbraw/zinc/58/92/68/786589268.db2.gz DFPPDWIWHRXYKS-UHFFFAOYSA-N 1 2 343.475 2.464 20 30 EEEDLO CN(CCCNc1ncc(C#N)cc1Cl)C(=O)CCn1cc[nH+]c1 ZINC001109581624 805712044 /nfs/dbraw/zinc/71/20/44/805712044.db2.gz ITYWQPFKJKSHCX-UHFFFAOYSA-N 1 2 346.822 2.154 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCCC1 ZINC001109601507 805732175 /nfs/dbraw/zinc/73/21/75/805732175.db2.gz BQKPRQHZKCJRLT-IKGGRYGDSA-N 1 2 347.503 2.369 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCCC1 ZINC001109601507 805732182 /nfs/dbraw/zinc/73/21/82/805732182.db2.gz BQKPRQHZKCJRLT-IKGGRYGDSA-N 1 2 347.503 2.369 20 30 EEEDLO Cc1ccc(C(=O)/C=C/C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)cc1 ZINC000910572939 786881597 /nfs/dbraw/zinc/88/15/97/786881597.db2.gz MJYIEUDHSJSRNV-MDZDMXLPSA-N 1 2 344.455 2.303 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)ccc2F)[C@H](O)C1 ZINC001090595117 787175153 /nfs/dbraw/zinc/17/51/53/787175153.db2.gz NSISGRAPBRNKJU-LSDHHAIUSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)ccc2F)[C@H](O)C1 ZINC001090595117 787175158 /nfs/dbraw/zinc/17/51/58/787175158.db2.gz NSISGRAPBRNKJU-LSDHHAIUSA-N 1 2 326.799 2.052 20 30 EEEDLO CC(C)n1c[nH+]cc1CN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000822470723 787222342 /nfs/dbraw/zinc/22/23/42/787222342.db2.gz XVSRGQXUEXKLBS-UKRRQHHQSA-N 1 2 333.436 2.313 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787861849 /nfs/dbraw/zinc/86/18/49/787861849.db2.gz KEZZBDDULZGFEK-IRXDYDNUSA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2oc(CC)cc2C)[C@@H](O)C1 ZINC001090726274 787927656 /nfs/dbraw/zinc/92/76/56/787927656.db2.gz UYLVKQKFIVAALG-KGLIPLIRSA-N 1 2 326.824 2.068 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2oc(CC)cc2C)[C@@H](O)C1 ZINC001090726274 787927660 /nfs/dbraw/zinc/92/76/60/787927660.db2.gz UYLVKQKFIVAALG-KGLIPLIRSA-N 1 2 326.824 2.068 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[C@@H]2CCOC2)s1 ZINC001032345522 788080098 /nfs/dbraw/zinc/08/00/98/788080098.db2.gz BIDBYTBMYMINML-ILXRZTDVSA-N 1 2 345.468 2.222 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[C@@H]2CCOC2)s1 ZINC001032345522 788080106 /nfs/dbraw/zinc/08/01/06/788080106.db2.gz BIDBYTBMYMINML-ILXRZTDVSA-N 1 2 345.468 2.222 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N(C)CCCNc2ncccc2C#N)c[nH+]1 ZINC001109660384 805848439 /nfs/dbraw/zinc/84/84/39/805848439.db2.gz LTVLLDDPHNVTEF-UHFFFAOYSA-N 1 2 340.431 2.154 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(c3ccccc3)CC2)[C@@H](O)C1 ZINC001090780603 788234137 /nfs/dbraw/zinc/23/41/37/788234137.db2.gz MFXMYMWDOPAPRP-HOTGVXAUSA-N 1 2 334.847 2.022 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(c3ccccc3)CC2)[C@@H](O)C1 ZINC001090780603 788234142 /nfs/dbraw/zinc/23/41/42/788234142.db2.gz MFXMYMWDOPAPRP-HOTGVXAUSA-N 1 2 334.847 2.022 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)CCC3)[C@H](O)C1 ZINC001090793071 788293419 /nfs/dbraw/zinc/29/34/19/788293419.db2.gz HPKBMUCCLOOOTP-IAGOWNOFSA-N 1 2 334.847 2.093 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)CCC3)[C@H](O)C1 ZINC001090793071 788293420 /nfs/dbraw/zinc/29/34/20/788293420.db2.gz HPKBMUCCLOOOTP-IAGOWNOFSA-N 1 2 334.847 2.093 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(CC)CC)C1 ZINC001109696438 805879318 /nfs/dbraw/zinc/87/93/18/805879318.db2.gz AYQXGTGEUOJYPT-IKGGRYGDSA-N 1 2 347.503 2.369 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(CC)CC)C1 ZINC001109696438 805879324 /nfs/dbraw/zinc/87/93/24/805879324.db2.gz AYQXGTGEUOJYPT-IKGGRYGDSA-N 1 2 347.503 2.369 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(CCC)cc2)C1 ZINC001108167796 788562136 /nfs/dbraw/zinc/56/21/36/788562136.db2.gz QQTAMHXOKJBQQF-HXUWFJFHSA-N 1 2 328.456 2.483 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(CCC)cc2)C1 ZINC001108167796 788562142 /nfs/dbraw/zinc/56/21/42/788562142.db2.gz QQTAMHXOKJBQQF-HXUWFJFHSA-N 1 2 328.456 2.483 20 30 EEEDLO C#CCCCC(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC001107901458 789190592 /nfs/dbraw/zinc/19/05/92/789190592.db2.gz QETPPIFDWGQTBJ-IBGZPJMESA-N 1 2 332.419 2.336 20 30 EEEDLO C#CCCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC001107901458 789190596 /nfs/dbraw/zinc/19/05/96/789190596.db2.gz QETPPIFDWGQTBJ-IBGZPJMESA-N 1 2 332.419 2.336 20 30 EEEDLO C#CCCCC(=O)NC[C@]1(C)C[N@H+](CCOc2ccccc2)CCO1 ZINC001107901924 789196373 /nfs/dbraw/zinc/19/63/73/789196373.db2.gz AIYMSHYKWXRRMA-HXUWFJFHSA-N 1 2 344.455 2.076 20 30 EEEDLO C#CCCCC(=O)NC[C@]1(C)C[N@@H+](CCOc2ccccc2)CCO1 ZINC001107901924 789196377 /nfs/dbraw/zinc/19/63/77/789196377.db2.gz AIYMSHYKWXRRMA-HXUWFJFHSA-N 1 2 344.455 2.076 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1CNc1ccc(C#N)nc1 ZINC001060263779 789212649 /nfs/dbraw/zinc/21/26/49/789212649.db2.gz AZYWQHXDXHYSDJ-INIZCTEOSA-N 1 2 338.415 2.021 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC(OC2C[NH+](CCOCC)C2)CC1 ZINC001105719889 789237388 /nfs/dbraw/zinc/23/73/88/789237388.db2.gz QJRUCXBZQSCJJU-HZPDHXFCSA-N 1 2 338.492 2.173 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)CNc3ccc(C#N)cn3)ccn12 ZINC001107943891 789607227 /nfs/dbraw/zinc/60/72/27/789607227.db2.gz YMNQQHHOQCNKBO-GFCCVEGCSA-N 1 2 334.383 2.140 20 30 EEEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H](CC)CCCC)CC2 ZINC001127944660 789721683 /nfs/dbraw/zinc/72/16/83/789721683.db2.gz VNEAENWKQHDXSI-JKSUJKDBSA-N 1 2 345.491 2.038 20 30 EEEDLO CC(C)C#CC(=O)NC[C@@H](O)CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001105811776 789767071 /nfs/dbraw/zinc/76/70/71/789767071.db2.gz IMWYXTUJSVJSPL-HNNXBMFYSA-N 1 2 346.475 2.272 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCCC(C)C)C2 ZINC001109803051 806015297 /nfs/dbraw/zinc/01/52/97/806015297.db2.gz VTZUCKZHUOUKMF-SQNIBIBYSA-N 1 2 347.503 2.064 20 30 EEEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCCC(C)C)C2 ZINC001109803051 806015305 /nfs/dbraw/zinc/01/53/05/806015305.db2.gz VTZUCKZHUOUKMF-SQNIBIBYSA-N 1 2 347.503 2.064 20 30 EEEDLO N#Cc1cccnc1NC[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001060318090 790027669 /nfs/dbraw/zinc/02/76/69/790027669.db2.gz WELDQJRILYUAOS-MRXNPFEDSA-N 1 2 338.415 2.102 20 30 EEEDLO N#Cc1cccnc1NC[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001060318090 790027675 /nfs/dbraw/zinc/02/76/75/790027675.db2.gz WELDQJRILYUAOS-MRXNPFEDSA-N 1 2 338.415 2.102 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001067666913 791625733 /nfs/dbraw/zinc/62/57/33/791625733.db2.gz CKLVKLSDLPHTPA-HNNXBMFYSA-N 1 2 334.464 2.252 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001067666913 791625741 /nfs/dbraw/zinc/62/57/41/791625741.db2.gz CKLVKLSDLPHTPA-HNNXBMFYSA-N 1 2 334.464 2.252 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001067666916 791627066 /nfs/dbraw/zinc/62/70/66/791627066.db2.gz CKLVKLSDLPHTPA-OAHLLOKOSA-N 1 2 334.464 2.252 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001067666916 791627070 /nfs/dbraw/zinc/62/70/70/791627070.db2.gz CKLVKLSDLPHTPA-OAHLLOKOSA-N 1 2 334.464 2.252 20 30 EEEDLO C#CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(C(C)C)o1)C2 ZINC001147441148 791838222 /nfs/dbraw/zinc/83/82/22/791838222.db2.gz RRTKFJGWVFLOKF-UHFFFAOYSA-N 1 2 330.432 2.031 20 30 EEEDLO C#CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nnc(C(C)C)o1)C2 ZINC001147441148 791838226 /nfs/dbraw/zinc/83/82/26/791838226.db2.gz RRTKFJGWVFLOKF-UHFFFAOYSA-N 1 2 330.432 2.031 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC1(NC(=O)CCc2[nH+]ccn2C)CCC1 ZINC001063894980 791898499 /nfs/dbraw/zinc/89/84/99/791898499.db2.gz LDKYYBCTMNMDTN-UHFFFAOYSA-N 1 2 346.475 2.110 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccon2)CC2(CCOCC2)C1 ZINC001089927044 792251492 /nfs/dbraw/zinc/25/14/92/792251492.db2.gz OSGJRWNXEQMWSZ-CYBMUJFWSA-N 1 2 339.823 2.028 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccon2)CC2(CCOCC2)C1 ZINC001089927044 792251497 /nfs/dbraw/zinc/25/14/97/792251497.db2.gz OSGJRWNXEQMWSZ-CYBMUJFWSA-N 1 2 339.823 2.028 20 30 EEEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2nonc2C)C3)CCC1 ZINC001148226963 792263342 /nfs/dbraw/zinc/26/33/42/792263342.db2.gz ZKJSCGYVXPZYPA-UHFFFAOYSA-N 1 2 330.432 2.159 20 30 EEEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2nonc2C)C3)CCC1 ZINC001148226963 792263349 /nfs/dbraw/zinc/26/33/49/792263349.db2.gz ZKJSCGYVXPZYPA-UHFFFAOYSA-N 1 2 330.432 2.159 20 30 EEEDLO Cc1c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)ccn1C ZINC001032613615 792331065 /nfs/dbraw/zinc/33/10/65/792331065.db2.gz KXIPMMNORXAWHJ-ROUUACIJSA-N 1 2 334.423 2.304 20 30 EEEDLO Cc1c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)ccn1C ZINC001032613615 792331074 /nfs/dbraw/zinc/33/10/74/792331074.db2.gz KXIPMMNORXAWHJ-ROUUACIJSA-N 1 2 334.423 2.304 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)c1 ZINC001032617751 792414094 /nfs/dbraw/zinc/41/40/94/792414094.db2.gz QZLGQYBVMFKBSZ-PMACEKPBSA-N 1 2 342.402 2.033 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)c1 ZINC001032617751 792414100 /nfs/dbraw/zinc/41/41/00/792414100.db2.gz QZLGQYBVMFKBSZ-PMACEKPBSA-N 1 2 342.402 2.033 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC001098302116 792455520 /nfs/dbraw/zinc/45/55/20/792455520.db2.gz DKWGMQGMRDSJML-KGLIPLIRSA-N 1 2 326.404 2.026 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC001107985416 792711154 /nfs/dbraw/zinc/71/11/54/792711154.db2.gz KKAXFMRRQCLFPH-ICSRJNTNSA-N 1 2 344.455 2.118 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC001107985416 792711157 /nfs/dbraw/zinc/71/11/57/792711157.db2.gz KKAXFMRRQCLFPH-ICSRJNTNSA-N 1 2 344.455 2.118 20 30 EEEDLO C=CC[N@@H+]1CC[C@]2(NC(=O)c3cccc(-c4nnc[nH]4)c3)CCC[C@@H]12 ZINC000992107214 792735108 /nfs/dbraw/zinc/73/51/08/792735108.db2.gz JUBVMLDBFWMJIV-VQIMIIECSA-N 1 2 337.427 2.385 20 30 EEEDLO C=CC[N@H+]1CC[C@]2(NC(=O)c3cccc(-c4nnc[nH]4)c3)CCC[C@@H]12 ZINC000992107214 792735117 /nfs/dbraw/zinc/73/51/17/792735117.db2.gz JUBVMLDBFWMJIV-VQIMIIECSA-N 1 2 337.427 2.385 20 30 EEEDLO CC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@@H]1Nc1cc[nH+]c(C)n1 ZINC001064395422 793025144 /nfs/dbraw/zinc/02/51/44/793025144.db2.gz KNQJWQODLDGFQN-HIFRSBDPSA-N 1 2 338.415 2.338 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC1(NC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001064401623 793045626 /nfs/dbraw/zinc/04/56/26/793045626.db2.gz DJHOQBWSPVFDOI-GOSISDBHSA-N 1 2 346.475 2.421 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H](CNc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001109920784 806210579 /nfs/dbraw/zinc/21/05/79/806210579.db2.gz RGCQIVKZBFOHGH-AWEZNQCLSA-N 1 2 346.479 2.155 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1O ZINC001092163783 793618635 /nfs/dbraw/zinc/61/86/35/793618635.db2.gz HAZRUMPMQZKHSN-JKSUJKDBSA-N 1 2 344.459 2.075 20 30 EEEDLO C[C@H]1C[C@@H](Nc2cccc(F)c2C#N)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001064832821 793824807 /nfs/dbraw/zinc/82/48/07/793824807.db2.gz STWSRJFQNLLGIP-STQMWFEESA-N 1 2 341.390 2.455 20 30 EEEDLO C#CCCCCC(=O)N[C@@H](C)C[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001089267490 793855320 /nfs/dbraw/zinc/85/53/20/793855320.db2.gz IKPVHRXBQFYQGJ-KBPBESRZSA-N 1 2 346.479 2.135 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccn3ccccc13)c1nccn12 ZINC001092381828 793876627 /nfs/dbraw/zinc/87/66/27/793876627.db2.gz ZSNCNOWEXKKDRP-INIZCTEOSA-N 1 2 347.422 2.208 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC13CCCC3)c1nccn12 ZINC001092406737 793877865 /nfs/dbraw/zinc/87/78/65/793877865.db2.gz YJLHPBHJRSDJOK-GJZGRUSLSA-N 1 2 326.444 2.221 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(F)ccc1C)c1nccn12 ZINC001092385694 793880553 /nfs/dbraw/zinc/88/05/53/793880553.db2.gz WKPWNFFBAFATSP-INIZCTEOSA-N 1 2 340.402 2.402 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1nccn12 ZINC001092401640 793903218 /nfs/dbraw/zinc/90/32/18/793903218.db2.gz DQGUAEDGQMNCEN-SQNIBIBYSA-N 1 2 348.450 2.445 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3nc(C)oc3c2)[C@H](O)C1 ZINC001090332740 793965000 /nfs/dbraw/zinc/96/50/00/793965000.db2.gz DGENIXZXPKZRCN-DZGCQCFKSA-N 1 2 349.818 2.054 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3nc(C)oc3c2)[C@H](O)C1 ZINC001090332740 793965006 /nfs/dbraw/zinc/96/50/06/793965006.db2.gz DGENIXZXPKZRCN-DZGCQCFKSA-N 1 2 349.818 2.054 20 30 EEEDLO CC(C)(C(=O)N1CCC[C@H]1CNc1ccc(C#N)cn1)c1c[nH+]c[nH]1 ZINC001064933314 793988466 /nfs/dbraw/zinc/98/84/66/793988466.db2.gz YWQLNYOORSHWGR-AWEZNQCLSA-N 1 2 338.415 2.057 20 30 EEEDLO C=C(Br)C[NH2+][C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC000999206705 794017024 /nfs/dbraw/zinc/01/70/24/794017024.db2.gz GTTQGWPQHIDIEY-DTWKUNHWSA-N 1 2 347.150 2.376 20 30 EEEDLO C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000999206705 794017034 /nfs/dbraw/zinc/01/70/34/794017034.db2.gz GTTQGWPQHIDIEY-DTWKUNHWSA-N 1 2 347.150 2.376 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(F)c(C)cc2F)[C@H](O)C1 ZINC001090337023 794017892 /nfs/dbraw/zinc/01/78/92/794017892.db2.gz BOFLDXDKKKFEFE-LSDHHAIUSA-N 1 2 344.789 2.191 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)c(C)cc2F)[C@H](O)C1 ZINC001090337023 794017900 /nfs/dbraw/zinc/01/79/00/794017900.db2.gz BOFLDXDKKKFEFE-LSDHHAIUSA-N 1 2 344.789 2.191 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000913714673 794157392 /nfs/dbraw/zinc/15/73/92/794157392.db2.gz YFTBQEZBSUVFHD-RDJZCZTQSA-N 1 2 347.484 2.232 20 30 EEEDLO CCCC(=O)N1CC[NH+]([C@@H]2CCN(c3cccc(F)c3C#N)C2)CC1 ZINC001065185501 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EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C[C@H](C)C(C)C)C2)CC1 ZINC001065695467 799374730 /nfs/dbraw/zinc/37/47/30/799374730.db2.gz WPUSZRMYDFIHSC-ZWKOTPCHSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)/C=C(/C)CC)C2)CC1 ZINC001065699490 799386211 /nfs/dbraw/zinc/38/62/11/799386211.db2.gz KOUVLDVSEJVJPP-WAIALKQBSA-N 1 2 333.476 2.054 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC001065710877 799407447 /nfs/dbraw/zinc/40/74/47/799407447.db2.gz FFPZZBCRVSNGTI-HSWUNZQFSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)CC(=C)C)C2)CC1 ZINC001065711171 799407657 /nfs/dbraw/zinc/40/76/57/799407657.db2.gz IWUIFAYBCNUGPL-MSOLQXFVSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001108055183 799450330 /nfs/dbraw/zinc/45/03/30/799450330.db2.gz JIPGYJXDLPOVPJ-HXUWFJFHSA-N 1 2 339.439 2.484 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001108055183 799450333 /nfs/dbraw/zinc/45/03/33/799450333.db2.gz JIPGYJXDLPOVPJ-HXUWFJFHSA-N 1 2 339.439 2.484 20 30 EEEDLO CC#CCCCC(=O)NCc1cnn2c1C[N@H+](CC[C@H](C)F)CC2 ZINC001128448740 799573485 /nfs/dbraw/zinc/57/34/85/799573485.db2.gz WKIWCSVAOFDSDS-HNNXBMFYSA-N 1 2 334.439 2.257 20 30 EEEDLO CC#CCCCC(=O)NCc1cnn2c1C[N@@H+](CC[C@H](C)F)CC2 ZINC001128448740 799573489 /nfs/dbraw/zinc/57/34/89/799573489.db2.gz WKIWCSVAOFDSDS-HNNXBMFYSA-N 1 2 334.439 2.257 20 30 EEEDLO N#Cc1c(F)cccc1NCC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001090003975 799664914 /nfs/dbraw/zinc/66/49/14/799664914.db2.gz UUTROIREYMKUNY-UHFFFAOYSA-N 1 2 341.390 2.362 20 30 EEEDLO C#CC1(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC001178997902 799738351 /nfs/dbraw/zinc/73/83/51/799738351.db2.gz WEJHXASJYVWZLP-SFHVURJKSA-N 1 2 326.440 2.340 20 30 EEEDLO C#CC1(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC001178997902 799738355 /nfs/dbraw/zinc/73/83/55/799738355.db2.gz WEJHXASJYVWZLP-SFHVURJKSA-N 1 2 326.440 2.340 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)CC2=CCOCC2)CC1 ZINC001003564034 799828309 /nfs/dbraw/zinc/82/83/09/799828309.db2.gz PICVOPCTXZAKHG-UHFFFAOYSA-N 1 2 343.265 2.212 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)Cc3cccc(C)c3)c2C1 ZINC001128475473 799924256 /nfs/dbraw/zinc/92/42/56/799924256.db2.gz ADZDDAJMFHZJND-UHFFFAOYSA-N 1 2 338.455 2.442 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)Cc3cccc(C)c3)c2C1 ZINC001128475473 799924259 /nfs/dbraw/zinc/92/42/59/799924259.db2.gz ADZDDAJMFHZJND-UHFFFAOYSA-N 1 2 338.455 2.442 20 30 EEEDLO C#CCOc1ccc(C(=O)NC2CC[NH+](Cc3ccon3)CC2)cc1 ZINC001003743523 800094835 /nfs/dbraw/zinc/09/48/35/800094835.db2.gz YFJGSKZCRBSPOH-UHFFFAOYSA-N 1 2 339.395 2.081 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001066185367 800160130 /nfs/dbraw/zinc/16/01/30/800160130.db2.gz ZKTJIQRWACTZQG-MRXNPFEDSA-N 1 2 346.475 2.373 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001066209625 800201207 /nfs/dbraw/zinc/20/12/07/800201207.db2.gz 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/nfs/dbraw/zinc/87/55/50/806875550.db2.gz DXGRCYDRVQIDJU-UHFFFAOYSA-N 1 2 347.484 2.029 20 30 EEEDLO CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110318165 801249608 /nfs/dbraw/zinc/24/96/08/801249608.db2.gz ICOVHWHKKFPGCO-AXUOBQJMSA-N 1 2 344.430 2.324 20 30 EEEDLO CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110318165 801249612 /nfs/dbraw/zinc/24/96/12/801249612.db2.gz ICOVHWHKKFPGCO-AXUOBQJMSA-N 1 2 344.430 2.324 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CN(C)C(=O)[C@H]2CC23CC3)cc1C#N ZINC001085841886 801412300 /nfs/dbraw/zinc/41/23/00/801412300.db2.gz KIGYWFHQHPHYJE-DLBZAZTESA-N 1 2 339.439 2.400 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CN(C)C(=O)[C@H]2CC23CC3)cc1C#N ZINC001085841886 801412305 /nfs/dbraw/zinc/41/23/05/801412305.db2.gz KIGYWFHQHPHYJE-DLBZAZTESA-N 1 2 339.439 2.400 20 30 EEEDLO C=C(C)[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1)OCC ZINC001182974009 801427741 /nfs/dbraw/zinc/42/77/41/801427741.db2.gz 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C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CN(C)C(=O)C2CCC=CCC2)C1=O ZINC001085975599 801815960 /nfs/dbraw/zinc/81/59/60/801815960.db2.gz BAYVOLFTKBJOGW-ZWKOTPCHSA-N 1 2 345.487 2.052 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CN(C)C(=O)C2CCC=CCC2)C1=O ZINC001085975599 801815971 /nfs/dbraw/zinc/81/59/71/801815971.db2.gz BAYVOLFTKBJOGW-ZWKOTPCHSA-N 1 2 345.487 2.052 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001066361744 801927236 /nfs/dbraw/zinc/92/72/36/801927236.db2.gz QSDQVKVGEKSNSL-OAHLLOKOSA-N 1 2 346.475 2.360 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001066362082 801930275 /nfs/dbraw/zinc/93/02/75/801930275.db2.gz XUYHYMMJDHXFMC-OAHLLOKOSA-N 1 2 332.448 2.114 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001108238867 802041948 /nfs/dbraw/zinc/04/19/48/802041948.db2.gz UQSCEKZHSNNZIH-INIZCTEOSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001108238867 802041952 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CC(C)C[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793608125 810431259 /nfs/dbraw/zinc/43/12/59/810431259.db2.gz UWJZDVGXBIUHKG-SJORKVTESA-N 1 2 342.443 2.258 20 30 EEEDLO CCCCCCC[C@H](C)CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000793792751 810526292 /nfs/dbraw/zinc/52/62/92/810526292.db2.gz QRNMDEAIVOKENU-JKSUJKDBSA-N 1 2 348.491 2.427 20 30 EEEDLO C=C(Br)C[NH2+]CCNC(=O)c1n[nH]c2ccc(C)cc21 ZINC001130786450 812024587 /nfs/dbraw/zinc/02/45/87/812024587.db2.gz HPRMJLHJDVWOCO-UHFFFAOYSA-N 1 2 337.221 2.099 20 30 EEEDLO CCCC[C@H](CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001130920853 812202886 /nfs/dbraw/zinc/20/28/86/812202886.db2.gz KIRDAEXAABJNHT-ARFHVFGLSA-N 1 2 331.464 2.044 20 30 EEEDLO CCC[C@@H](C)CCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131004031 812283475 /nfs/dbraw/zinc/28/34/75/812283475.db2.gz XRSMYMPPOGWULG-BRWVUGGUSA-N 1 2 345.491 2.434 20 30 EEEDLO COCCCCC(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001494747439 1104330341 /nfs/dbraw/zinc/33/03/41/1104330341.db2.gz NUQHZZDYBRPNCL-MRXNPFEDSA-N 1 2 333.407 2.205 20 30 EEEDLO COCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001494747439 1104330349 /nfs/dbraw/zinc/33/03/49/1104330349.db2.gz NUQHZZDYBRPNCL-MRXNPFEDSA-N 1 2 333.407 2.205 20 30 EEEDLO COCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001479227904 1110663030 /nfs/dbraw/zinc/66/30/30/1110663030.db2.gz MFLQRTUPMKZVBJ-KRWDZBQOSA-N 1 2 327.428 2.018 20 30 EEEDLO COCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001479227904 1110663032 /nfs/dbraw/zinc/66/30/32/1110663032.db2.gz MFLQRTUPMKZVBJ-KRWDZBQOSA-N 1 2 327.428 2.018 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H]1C ZINC001507381354 1115240458 /nfs/dbraw/zinc/24/04/58/1115240458.db2.gz BCCSFEGVUILKKC-KGLIPLIRSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H]1C ZINC001507381354 1115240460 /nfs/dbraw/zinc/24/04/60/1115240460.db2.gz BCCSFEGVUILKKC-KGLIPLIRSA-N 1 2 343.899 2.260 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1CC(=C)C ZINC001524367210 1120078369 /nfs/dbraw/zinc/07/83/69/1120078369.db2.gz BVUKAMLDUQOION-HOTGVXAUSA-N 1 2 331.464 2.094 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1CC(=C)C ZINC001524367210 1120078376 /nfs/dbraw/zinc/07/83/76/1120078376.db2.gz BVUKAMLDUQOION-HOTGVXAUSA-N 1 2 331.464 2.094 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000189207137 236792849 /nfs/dbraw/zinc/79/28/49/236792849.db2.gz ORSHUZDJJWBGOC-SFHVURJKSA-N 1 2 348.468 2.223 20 30 EEEDLO CN(C)c1[nH+]cc(CN2CCC(Oc3cccc(C#N)c3)CC2)n1C ZINC000425322606 241124829 /nfs/dbraw/zinc/12/48/29/241124829.db2.gz HQIIENOFLMTFOT-UHFFFAOYSA-N 1 2 339.443 2.401 20 30 EEEDLO N#Cc1ncc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000455785381 244077468 /nfs/dbraw/zinc/07/74/68/244077468.db2.gz LXIGXVNJMJZDGL-NSHDSACASA-N 1 2 342.790 2.402 20 30 EEEDLO N#Cc1ccc(CN2CC[NH+](CCn3cc(Cl)cn3)CC2)cc1 ZINC000459315946 245076230 /nfs/dbraw/zinc/07/62/30/245076230.db2.gz SMJXKPFTZYGDRN-UHFFFAOYSA-N 1 2 329.835 2.226 20 30 EEEDLO C#CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)C1CC1 ZINC000491697580 246115103 /nfs/dbraw/zinc/11/51/03/246115103.db2.gz ADVKWLIWHCRFEX-SFHVURJKSA-N 1 2 342.439 2.465 20 30 EEEDLO C#CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)C1CC1 ZINC000491697580 246115108 /nfs/dbraw/zinc/11/51/08/246115108.db2.gz ADVKWLIWHCRFEX-SFHVURJKSA-N 1 2 342.439 2.465 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(COC)cc2)n1 ZINC000491805848 246160941 /nfs/dbraw/zinc/16/09/41/246160941.db2.gz PGHRFIDHTUDTDO-UHFFFAOYSA-N 1 2 327.428 2.311 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(COC)cc2)n1 ZINC000491805848 246160946 /nfs/dbraw/zinc/16/09/46/246160946.db2.gz PGHRFIDHTUDTDO-UHFFFAOYSA-N 1 2 327.428 2.311 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(CCOCC)[C@@H](CC)C1 ZINC000264278241 246281693 /nfs/dbraw/zinc/28/16/93/246281693.db2.gz FMZGDNLLGMHOHK-MSOLQXFVSA-N 1 2 337.508 2.008 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(CCOCC)[C@@H](CC)C1 ZINC000264278241 246281706 /nfs/dbraw/zinc/28/17/06/246281706.db2.gz FMZGDNLLGMHOHK-MSOLQXFVSA-N 1 2 337.508 2.008 20 30 EEEDLO C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000265178418 247274368 /nfs/dbraw/zinc/27/43/68/247274368.db2.gz IKIWSUWEKLOGRX-GHMZBOCLSA-N 1 2 328.338 2.493 20 30 EEEDLO N#Cc1ccc(CN[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)o1 ZINC000266128222 248116482 /nfs/dbraw/zinc/11/64/82/248116482.db2.gz CBOQUIRDARQWGW-QFBILLFUSA-N 1 2 325.412 2.124 20 30 EEEDLO N#Cc1ccc(CN[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)o1 ZINC000266128222 248116487 /nfs/dbraw/zinc/11/64/87/248116487.db2.gz CBOQUIRDARQWGW-QFBILLFUSA-N 1 2 325.412 2.124 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccccc1F ZINC000108992615 533184383 /nfs/dbraw/zinc/18/43/83/533184383.db2.gz VHHLRDKYQJBEDA-OAHLLOKOSA-N 1 2 333.407 2.004 20 30 EEEDLO CCOC(=O)CC1CC[NH+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000267697712 256079800 /nfs/dbraw/zinc/07/98/00/256079800.db2.gz PMQMLUGQVFGOPC-SFHVURJKSA-N 1 2 344.411 2.438 20 30 EEEDLO CC(C)OCCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000273135514 256268612 /nfs/dbraw/zinc/26/86/12/256268612.db2.gz RRGOZYHVRJUNER-UHFFFAOYSA-N 1 2 329.444 2.408 20 30 EEEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc(C)[nH+]c1C)c1ccc(F)cc1 ZINC000491453143 533245198 /nfs/dbraw/zinc/24/51/98/533245198.db2.gz PQXJBCUZFHYHIG-OAHLLOKOSA-N 1 2 325.343 2.267 20 30 EEEDLO C#C[C@H](C)[N@H+](C)Cn1c2cc(Br)c(F)cc2oc1=O ZINC000491555111 533285597 /nfs/dbraw/zinc/28/55/97/533285597.db2.gz OUFZWJXOGZIPKR-QMMMGPOBSA-N 1 2 327.153 2.407 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)Cn1c2cc(Br)c(F)cc2oc1=O ZINC000491555111 533285607 /nfs/dbraw/zinc/28/56/07/533285607.db2.gz OUFZWJXOGZIPKR-QMMMGPOBSA-N 1 2 327.153 2.407 20 30 EEEDLO C#C[C@H](CC)NC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000491815741 533303394 /nfs/dbraw/zinc/30/33/94/533303394.db2.gz LMFKUDOXBSDXBH-OAHLLOKOSA-N 1 2 333.407 2.073 20 30 EEEDLO C#C[C@H](CC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000491675546 533304680 /nfs/dbraw/zinc/30/46/80/533304680.db2.gz UONNKKAWXOHMAS-GDBMZVCRSA-N 1 2 326.400 2.229 20 30 EEEDLO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)cc1OCCCC#N ZINC000093055451 533563179 /nfs/dbraw/zinc/56/31/79/533563179.db2.gz RBRZAZKTWROINC-SFHVURJKSA-N 1 2 345.443 2.334 20 30 EEEDLO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)cc1OCCCC#N ZINC000093055451 533563186 /nfs/dbraw/zinc/56/31/86/533563186.db2.gz RBRZAZKTWROINC-SFHVURJKSA-N 1 2 345.443 2.334 20 30 EEEDLO CCOC(=O)c1coc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000354084834 153096767 /nfs/dbraw/zinc/09/67/67/153096767.db2.gz YMATVGCGUVYAIK-UHFFFAOYSA-N 1 2 340.383 2.045 20 30 EEEDLO N#Cc1ccc(F)c(CNC(=O)C2CC[NH+](CC(F)F)CC2)c1 ZINC000354170921 153151339 /nfs/dbraw/zinc/15/13/39/153151339.db2.gz DDYHGWOOAGSNAJ-UHFFFAOYSA-N 1 2 325.334 2.291 20 30 EEEDLO COC(=O)[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]1C ZINC000249073841 160372620 /nfs/dbraw/zinc/37/26/20/160372620.db2.gz LKEUWQXHEKUMAS-SWLSCSKDSA-N 1 2 340.383 2.239 20 30 EEEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]1C ZINC000249073841 160372621 /nfs/dbraw/zinc/37/26/21/160372621.db2.gz LKEUWQXHEKUMAS-SWLSCSKDSA-N 1 2 340.383 2.239 20 30 EEEDLO COCc1noc([C@@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344078063 161196731 /nfs/dbraw/zinc/19/67/31/161196731.db2.gz XVGTXTFWLIZASU-CYBMUJFWSA-N 1 2 330.388 2.297 20 30 EEEDLO COCc1noc([C@@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344078063 161196732 /nfs/dbraw/zinc/19/67/32/161196732.db2.gz XVGTXTFWLIZASU-CYBMUJFWSA-N 1 2 330.388 2.297 20 30 EEEDLO CN(C(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1)c1nccs1 ZINC000344113309 161199675 /nfs/dbraw/zinc/19/96/75/161199675.db2.gz LRUOPEGFUJSULF-UHFFFAOYSA-N 1 2 344.440 2.126 20 30 EEEDLO CN(C(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1)c1nccs1 ZINC000344113309 161199676 /nfs/dbraw/zinc/19/96/76/161199676.db2.gz LRUOPEGFUJSULF-UHFFFAOYSA-N 1 2 344.440 2.126 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)Cc2c(F)cccc2C#N)CCO1 ZINC000354900838 163008435 /nfs/dbraw/zinc/00/84/35/163008435.db2.gz MXHATLYNNIDDHE-SUMWQHHRSA-N 1 2 342.374 2.010 20 30 EEEDLO Cc1nc(N2CCN(C(=O)[C@H](C)c3cccc(C#N)c3)CC2)cc[nH+]1 ZINC000360762233 164375748 /nfs/dbraw/zinc/37/57/48/164375748.db2.gz KGRUKRVHKCCJBW-CQSZACIVSA-N 1 2 335.411 2.109 20 30 EEEDLO CC(C)OCC[NH+]1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000122826116 222166415 /nfs/dbraw/zinc/16/64/15/222166415.db2.gz XTNGPGHMYOADSD-UHFFFAOYSA-N 1 2 337.370 2.019 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C)nc2)C1 ZINC000971088285 676362313 /nfs/dbraw/zinc/36/23/13/676362313.db2.gz KNMROQHIOKKZDD-AWEZNQCLSA-N 1 2 338.249 2.445 20 30 EEEDLO CCCNC(=O)C[N@H+](CCC)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000298084628 266057316 /nfs/dbraw/zinc/05/73/16/266057316.db2.gz KHQXWEDQYRQHIS-CYBMUJFWSA-N 1 2 348.447 2.333 20 30 EEEDLO CCCNC(=O)C[N@@H+](CCC)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000298084628 266057321 /nfs/dbraw/zinc/05/73/21/266057321.db2.gz KHQXWEDQYRQHIS-CYBMUJFWSA-N 1 2 348.447 2.333 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C#N)cn3)C[C@@H]2C1 ZINC000496840081 266856378 /nfs/dbraw/zinc/85/63/78/266856378.db2.gz OOHUZMUAEHGTFW-LSDHHAIUSA-N 1 2 343.431 2.037 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C#N)cn3)C[C@@H]2C1 ZINC000496840081 266856381 /nfs/dbraw/zinc/85/63/81/266856381.db2.gz OOHUZMUAEHGTFW-LSDHHAIUSA-N 1 2 343.431 2.037 20 30 EEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000328774908 267122189 /nfs/dbraw/zinc/12/21/89/267122189.db2.gz SFIBPKPEADPEMJ-CYBMUJFWSA-N 1 2 339.443 2.071 20 30 EEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000528352270 268296215 /nfs/dbraw/zinc/29/62/15/268296215.db2.gz SVHVUEFGVSKZRD-ICSRJNTNSA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000528352270 268296217 /nfs/dbraw/zinc/29/62/17/268296217.db2.gz SVHVUEFGVSKZRD-ICSRJNTNSA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286540716 268308835 /nfs/dbraw/zinc/30/88/35/268308835.db2.gz OFGAFRRXCUOXTH-GHMZBOCLSA-N 1 2 347.362 2.051 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286540716 268308836 /nfs/dbraw/zinc/30/88/36/268308836.db2.gz OFGAFRRXCUOXTH-GHMZBOCLSA-N 1 2 347.362 2.051 20 30 EEEDLO Cc1cc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1C#N ZINC000277822477 269186956 /nfs/dbraw/zinc/18/69/56/269186956.db2.gz IWIOPPCWJAQKHK-AWEZNQCLSA-N 1 2 330.413 2.158 20 30 EEEDLO C=C[C@@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000292650475 277897738 /nfs/dbraw/zinc/89/77/38/277897738.db2.gz YMRALKRUQZAJCC-UONOGXRCSA-N 1 2 334.807 2.009 20 30 EEEDLO Cc1nc(N2CCN(c3nccnc3C#N)C[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000272903829 293404353 /nfs/dbraw/zinc/40/43/53/293404353.db2.gz QEBUMDZOWPYRSJ-ZDUSSCGKSA-N 1 2 349.442 2.041 20 30 EEEDLO N#Cc1ccccc1N1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000171170455 311402540 /nfs/dbraw/zinc/40/25/40/311402540.db2.gz PADIWZPCMRQZGN-UHFFFAOYSA-N 1 2 331.379 2.168 20 30 EEEDLO Cc1noc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000543509861 318160518 /nfs/dbraw/zinc/16/05/18/318160518.db2.gz ZPTUYTPUKHAYKL-IUCAKERBSA-N 1 2 345.428 2.478 20 30 EEEDLO Cc1csc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1C#N ZINC000565163395 319154938 /nfs/dbraw/zinc/15/49/38/319154938.db2.gz PZFPLLMUKANCOZ-ZDUSSCGKSA-N 1 2 334.445 2.257 20 30 EEEDLO Cc1nsc(N2CCN(Cc3c[nH+]cn3C(C)C)CC2)c1C#N ZINC000576866990 320211087 /nfs/dbraw/zinc/21/10/87/320211087.db2.gz SCTIVGXIZYBDFL-UHFFFAOYSA-N 1 2 330.461 2.423 20 30 EEEDLO COc1ccc([C@@H](CNc2cnccc2C#N)[NH+]2CCOCC2)cc1 ZINC000339047379 465049849 /nfs/dbraw/zinc/04/98/49/465049849.db2.gz ZICCOVKUVLKVBK-LJQANCHMSA-N 1 2 338.411 2.447 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CCCc3c1cnn3C)CCC2 ZINC000328640033 465085109 /nfs/dbraw/zinc/08/51/09/465085109.db2.gz CIGKTIHLFFYUAU-DZGCQCFKSA-N 1 2 342.447 2.384 20 30 EEEDLO N#Cc1ccc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c(Br)c1 ZINC000341292410 465096851 /nfs/dbraw/zinc/09/68/51/465096851.db2.gz CJZWGNPQRHIYQJ-UHFFFAOYSA-N 1 2 346.232 2.366 20 30 EEEDLO N#Cc1cccc(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000341424142 465159202 /nfs/dbraw/zinc/15/92/02/465159202.db2.gz LNZBUPZRVTZWHQ-UHFFFAOYSA-N 1 2 338.392 2.427 20 30 EEEDLO CC(C)N1CCC[C@@H]([N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1=O ZINC000328912510 465164740 /nfs/dbraw/zinc/16/47/40/465164740.db2.gz PAWYEJRLQNOYNP-QZTJIDSGSA-N 1 2 327.428 2.331 20 30 EEEDLO CC(C)N1CCC[C@@H]([N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1=O ZINC000328912510 465164746 /nfs/dbraw/zinc/16/47/46/465164746.db2.gz PAWYEJRLQNOYNP-QZTJIDSGSA-N 1 2 327.428 2.331 20 30 EEEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000328962739 465184267 /nfs/dbraw/zinc/18/42/67/465184267.db2.gz QTFHELKRFQYKRS-UKRRQHHQSA-N 1 2 345.447 2.464 20 30 EEEDLO CCn1nc(C)c(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1C ZINC000355183719 465231596 /nfs/dbraw/zinc/23/15/96/465231596.db2.gz GMVHCZTZOHOSHP-QRWLVFNGSA-N 1 2 349.438 2.365 20 30 EEEDLO CCn1nc(C)c(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1C ZINC000355183719 465231597 /nfs/dbraw/zinc/23/15/97/465231597.db2.gz GMVHCZTZOHOSHP-QRWLVFNGSA-N 1 2 349.438 2.365 20 30 EEEDLO C=CC[C@H](CO)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000341702725 465255024 /nfs/dbraw/zinc/25/50/24/465255024.db2.gz KTKFQAFVTRPBNO-BBRMVZONSA-N 1 2 346.406 2.132 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cc(C)ccc2OC)C1=O ZINC000337230840 465256719 /nfs/dbraw/zinc/25/67/19/465256719.db2.gz TWXKFYHGCUEJQB-GOEBONIOSA-N 1 2 345.443 2.049 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2cc(C)ccc2OC)C1=O ZINC000337230840 465256723 /nfs/dbraw/zinc/25/67/23/465256723.db2.gz TWXKFYHGCUEJQB-GOEBONIOSA-N 1 2 345.443 2.049 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(Oc3ccccc3)nn2)C1=O ZINC000337226711 465253991 /nfs/dbraw/zinc/25/39/91/465253991.db2.gz PNYLKYIPTDPBAD-KRWDZBQOSA-N 1 2 338.411 2.488 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(Oc3ccccc3)nn2)C1=O ZINC000337226711 465253997 /nfs/dbraw/zinc/25/39/97/465253997.db2.gz PNYLKYIPTDPBAD-KRWDZBQOSA-N 1 2 338.411 2.488 20 30 EEEDLO C=CC[C@H](CO)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000341685830 465254229 /nfs/dbraw/zinc/25/42/29/465254229.db2.gz SUZRLUDNPXXLIR-BBRMVZONSA-N 1 2 346.406 2.132 20 30 EEEDLO C=CC[C@@H](CO)CNC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000341808022 465262151 /nfs/dbraw/zinc/26/21/51/465262151.db2.gz NJTRUCJFMPIRCC-OAHLLOKOSA-N 1 2 330.432 2.219 20 30 EEEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000297700960 465266771 /nfs/dbraw/zinc/26/67/71/465266771.db2.gz AHNXJDIZSRYHTO-SFHVURJKSA-N 1 2 335.411 2.085 20 30 EEEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000297700960 465266776 /nfs/dbraw/zinc/26/67/76/465266776.db2.gz AHNXJDIZSRYHTO-SFHVURJKSA-N 1 2 335.411 2.085 20 30 EEEDLO CCOc1ccc(NC(=O)C[NH+]2CCC(C#N)(COC)CC2)cc1 ZINC000342022368 465286943 /nfs/dbraw/zinc/28/69/43/465286943.db2.gz RVCZJQYHJHDRQS-UHFFFAOYSA-N 1 2 331.416 2.276 20 30 EEEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1OC ZINC000298087681 465296799 /nfs/dbraw/zinc/29/67/99/465296799.db2.gz PIIWBOOFHBEZSQ-LLVKDONJSA-N 1 2 339.233 2.027 20 30 EEEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1OC ZINC000298087681 465296804 /nfs/dbraw/zinc/29/68/04/465296804.db2.gz PIIWBOOFHBEZSQ-LLVKDONJSA-N 1 2 339.233 2.027 20 30 EEEDLO CC1CCN(c2ccc(CNC(=O)NCC3(C#N)CC3)c[nH+]2)CC1 ZINC000568159043 468280015 /nfs/dbraw/zinc/28/00/15/468280015.db2.gz CFBASNUGPYOBGH-UHFFFAOYSA-N 1 2 327.432 2.421 20 30 EEEDLO CC(C)C[C@H](C#N)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000590628782 468291391 /nfs/dbraw/zinc/29/13/91/468291391.db2.gz HHZCYAQDEIXSNG-CYBMUJFWSA-N 1 2 327.344 2.449 20 30 EEEDLO O=C(N[C@@H]1CC[C@@H](F)C1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000329699926 465409383 /nfs/dbraw/zinc/40/93/83/465409383.db2.gz GIXHOQZYVCAKSH-HUUCEWRRSA-N 1 2 345.422 2.257 20 30 EEEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000046480439 462683312 /nfs/dbraw/zinc/68/33/12/462683312.db2.gz JKEHTAPXQWZADQ-INIZCTEOSA-N 1 2 344.459 2.201 20 30 EEEDLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000006612821 462693637 /nfs/dbraw/zinc/69/36/37/462693637.db2.gz NAXAVEBEGJKJAH-CYBMUJFWSA-N 1 2 349.818 2.425 20 30 EEEDLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000006612821 462693642 /nfs/dbraw/zinc/69/36/42/462693642.db2.gz NAXAVEBEGJKJAH-CYBMUJFWSA-N 1 2 349.818 2.425 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089970050 462758006 /nfs/dbraw/zinc/75/80/06/462758006.db2.gz KLVHSWHZMHMEKF-LLVKDONJSA-N 1 2 341.333 2.274 20 30 EEEDLO CCOC(=O)C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC(C)C ZINC000065542936 462794895 /nfs/dbraw/zinc/79/48/95/462794895.db2.gz FLHQRJRBAMCBJW-UHFFFAOYSA-N 1 2 337.464 2.192 20 30 EEEDLO CCOC(=O)C[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC(C)C ZINC000065542936 462794900 /nfs/dbraw/zinc/79/49/00/462794900.db2.gz FLHQRJRBAMCBJW-UHFFFAOYSA-N 1 2 337.464 2.192 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@H+](CCC)CC(=O)NC ZINC000118832335 462855720 /nfs/dbraw/zinc/85/57/20/462855720.db2.gz QALURXZUCANVRG-UHFFFAOYSA-N 1 2 335.473 2.361 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](CCC)CC(=O)NC ZINC000118832335 462855722 /nfs/dbraw/zinc/85/57/22/462855722.db2.gz QALURXZUCANVRG-UHFFFAOYSA-N 1 2 335.473 2.361 20 30 EEEDLO C=CCCOCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000155382482 462883592 /nfs/dbraw/zinc/88/35/92/462883592.db2.gz CHPCUEINLQRIEA-INIZCTEOSA-N 1 2 349.450 2.045 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000155705777 462931030 /nfs/dbraw/zinc/93/10/30/462931030.db2.gz QKAODCGKEQMIOP-ZDUSSCGKSA-N 1 2 336.374 2.070 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000155705777 462931034 /nfs/dbraw/zinc/93/10/34/462931034.db2.gz QKAODCGKEQMIOP-ZDUSSCGKSA-N 1 2 336.374 2.070 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000092704253 462974888 /nfs/dbraw/zinc/97/48/88/462974888.db2.gz HUBXEFBCEKNYGH-CQSZACIVSA-N 1 2 341.415 2.305 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000092704253 462974892 /nfs/dbraw/zinc/97/48/92/462974892.db2.gz HUBXEFBCEKNYGH-CQSZACIVSA-N 1 2 341.415 2.305 20 30 EEEDLO Cc1cc(C[NH+]2CCN(c3c(C#N)nnc4ccccc43)CC2)on1 ZINC000077486991 462993811 /nfs/dbraw/zinc/99/38/11/462993811.db2.gz FLDGSTLRBQEERM-UHFFFAOYSA-N 1 2 334.383 2.120 20 30 EEEDLO C#CC[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000491241023 468331781 /nfs/dbraw/zinc/33/17/81/468331781.db2.gz FXCNOKXMYUBMMG-UHFFFAOYSA-N 1 2 330.369 2.222 20 30 EEEDLO C#CC[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000491241023 468331787 /nfs/dbraw/zinc/33/17/87/468331787.db2.gz FXCNOKXMYUBMMG-UHFFFAOYSA-N 1 2 330.369 2.222 20 30 EEEDLO CC#CCC[NH+]1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000156593276 463046085 /nfs/dbraw/zinc/04/60/85/463046085.db2.gz TUDBJXHCIATEKC-UHFFFAOYSA-N 1 2 326.487 2.085 20 30 EEEDLO C=CCOc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000552717295 468335935 /nfs/dbraw/zinc/33/59/35/468335935.db2.gz FAWHSKLJJGQODJ-UHFFFAOYSA-N 1 2 335.367 2.157 20 30 EEEDLO CCOc1cc(C[N@H+](C)[C@H](C)CC#N)nc2nc(C(F)(F)F)nn21 ZINC000138170991 463303882 /nfs/dbraw/zinc/30/38/82/463303882.db2.gz NDKZJLGYKZEMLE-SECBINFHSA-N 1 2 342.325 2.276 20 30 EEEDLO CCOc1cc(C[N@@H+](C)[C@H](C)CC#N)nc2nc(C(F)(F)F)nn21 ZINC000138170991 463303886 /nfs/dbraw/zinc/30/38/86/463303886.db2.gz NDKZJLGYKZEMLE-SECBINFHSA-N 1 2 342.325 2.276 20 30 EEEDLO CCc1noc([C@H](C)O[NH+]=C(N)c2ccc(N3CCCCC3)nc2)n1 ZINC000123403714 463338933 /nfs/dbraw/zinc/33/89/33/463338933.db2.gz BERTVLHKJAEVEG-LBPRGKRZSA-N 1 2 344.419 2.415 20 30 EEEDLO NC(=NOC/C(Cl)=C/Cl)c1cccc(C[NH+]2CCOCC2)c1 ZINC000124119786 463391882 /nfs/dbraw/zinc/39/18/82/463391882.db2.gz NAZQKPHCURWQDI-ZROIWOOFSA-N 1 2 344.242 2.475 20 30 EEEDLO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000071090457 463406945 /nfs/dbraw/zinc/40/69/45/463406945.db2.gz BKSVRMGHMUIXPW-HXUWFJFHSA-N 1 2 347.422 2.417 20 30 EEEDLO CC[C@@H](COC)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000150723244 463417537 /nfs/dbraw/zinc/41/75/37/463417537.db2.gz XYMKAYLPRAGUOU-LBPRGKRZSA-N 1 2 328.416 2.071 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000329736940 465420861 /nfs/dbraw/zinc/42/08/61/465420861.db2.gz LUPGZCLYRFGVIJ-CKEIUWERSA-N 1 2 344.390 2.128 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000329736940 465420868 /nfs/dbraw/zinc/42/08/68/465420868.db2.gz LUPGZCLYRFGVIJ-CKEIUWERSA-N 1 2 344.390 2.128 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000072774492 463543841 /nfs/dbraw/zinc/54/38/41/463543841.db2.gz LGZBWIMRCUEFCB-INIZCTEOSA-N 1 2 339.443 2.124 20 30 EEEDLO CCCCCNC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354493 463559498 /nfs/dbraw/zinc/55/94/98/463559498.db2.gz OZZAGSINZBQKPW-KRWDZBQOSA-N 1 2 342.487 2.371 20 30 EEEDLO CCCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000042354493 463559503 /nfs/dbraw/zinc/55/95/03/463559503.db2.gz OZZAGSINZBQKPW-KRWDZBQOSA-N 1 2 342.487 2.371 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cnn(C)c1 ZINC000073642666 463637484 /nfs/dbraw/zinc/63/74/84/463637484.db2.gz RFLRHZCPAFFGKQ-AWEZNQCLSA-N 1 2 343.406 2.326 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1cnn(C)c1 ZINC000073642666 463637487 /nfs/dbraw/zinc/63/74/87/463637487.db2.gz RFLRHZCPAFFGKQ-AWEZNQCLSA-N 1 2 343.406 2.326 20 30 EEEDLO Cc1nnc([C@H]2CCC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)[nH]1 ZINC000268471537 463757205 /nfs/dbraw/zinc/75/72/05/463757205.db2.gz MKFJKTDZGHQULN-HNNXBMFYSA-N 1 2 349.398 2.414 20 30 EEEDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)[nH]1 ZINC000268471537 463757210 /nfs/dbraw/zinc/75/72/10/463757210.db2.gz MKFJKTDZGHQULN-HNNXBMFYSA-N 1 2 349.398 2.414 20 30 EEEDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)n1 ZINC000268471537 463757215 /nfs/dbraw/zinc/75/72/15/463757215.db2.gz MKFJKTDZGHQULN-HNNXBMFYSA-N 1 2 349.398 2.414 20 30 EEEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)n1 ZINC000268471537 463757218 /nfs/dbraw/zinc/75/72/18/463757218.db2.gz MKFJKTDZGHQULN-HNNXBMFYSA-N 1 2 349.398 2.414 20 30 EEEDLO Cc1nc([C@H]2CCC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)n[nH]1 ZINC000268471537 463757223 /nfs/dbraw/zinc/75/72/23/463757223.db2.gz MKFJKTDZGHQULN-HNNXBMFYSA-N 1 2 349.398 2.414 20 30 EEEDLO Cc1nc([C@H]2CCC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)n[nH]1 ZINC000268471537 463757228 /nfs/dbraw/zinc/75/72/28/463757228.db2.gz MKFJKTDZGHQULN-HNNXBMFYSA-N 1 2 349.398 2.414 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](Cc3cccc4nsnc43)CC2)c1 ZINC000268955600 463825207 /nfs/dbraw/zinc/82/52/07/463825207.db2.gz WMWGGQDWNSVJBK-UHFFFAOYSA-N 1 2 336.424 2.280 20 30 EEEDLO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](F)C(F)(F)F ZINC000277401156 463914109 /nfs/dbraw/zinc/91/41/09/463914109.db2.gz LAPKTWQVTALPJZ-CYBMUJFWSA-N 1 2 331.313 2.349 20 30 EEEDLO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(F)C(F)(F)F ZINC000277401156 463914117 /nfs/dbraw/zinc/91/41/17/463914117.db2.gz LAPKTWQVTALPJZ-CYBMUJFWSA-N 1 2 331.313 2.349 20 30 EEEDLO CCCCCCCS(=O)(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000195312832 464037796 /nfs/dbraw/zinc/03/77/96/464037796.db2.gz XWNIMTPJFPTDGN-INIZCTEOSA-N 1 2 332.510 2.083 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000289549943 464084605 /nfs/dbraw/zinc/08/46/05/464084605.db2.gz UJEGBSBWLFWIMD-SECBINFHSA-N 1 2 329.160 2.286 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000289549943 464084611 /nfs/dbraw/zinc/08/46/11/464084611.db2.gz UJEGBSBWLFWIMD-SECBINFHSA-N 1 2 329.160 2.286 20 30 EEEDLO COc1ccc(C[N@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000591019735 468393627 /nfs/dbraw/zinc/39/36/27/468393627.db2.gz ZPZHIDVDKIWGLD-KRWDZBQOSA-N 1 2 336.395 2.199 20 30 EEEDLO COc1ccc(C[N@@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000591019735 468393630 /nfs/dbraw/zinc/39/36/30/468393630.db2.gz ZPZHIDVDKIWGLD-KRWDZBQOSA-N 1 2 336.395 2.199 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NCCc2cccs2)n1 ZINC000279650154 464120133 /nfs/dbraw/zinc/12/01/33/464120133.db2.gz BIHAFKAJKAWGTG-OAHLLOKOSA-N 1 2 344.484 2.147 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NCCc2cccs2)n1 ZINC000279650154 464120140 /nfs/dbraw/zinc/12/01/40/464120140.db2.gz BIHAFKAJKAWGTG-OAHLLOKOSA-N 1 2 344.484 2.147 20 30 EEEDLO C#CCCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000179488325 464144459 /nfs/dbraw/zinc/14/44/59/464144459.db2.gz KQGOQSKIQRCMAG-DLBZAZTESA-N 1 2 349.862 2.424 20 30 EEEDLO C#CCCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000179488325 464144460 /nfs/dbraw/zinc/14/44/60/464144460.db2.gz KQGOQSKIQRCMAG-DLBZAZTESA-N 1 2 349.862 2.424 20 30 EEEDLO N#Cc1cnc(NCc2cc[nH+]c(N3CCOCC3)c2)c(Cl)c1 ZINC000263734177 464171572 /nfs/dbraw/zinc/17/15/72/464171572.db2.gz DDENDHHOXNZRQS-UHFFFAOYSA-N 1 2 329.791 2.450 20 30 EEEDLO C[C@@H](O[NH+]=C(N)[C@@H]1CCCO1)C(=O)Nc1ccccc1OC(F)F ZINC000284441959 464192321 /nfs/dbraw/zinc/19/23/21/464192321.db2.gz PJGCPFGTQBFSTF-SKDRFNHKSA-N 1 2 343.330 2.083 20 30 EEEDLO C=CCOCCCC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000173135340 464196271 /nfs/dbraw/zinc/19/62/71/464196271.db2.gz FVPNUFNQUHLJOR-GOSISDBHSA-N 1 2 332.444 2.159 20 30 EEEDLO CCc1ccc(C#CC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000292708749 464316361 /nfs/dbraw/zinc/31/63/61/464316361.db2.gz LZXDIROMRTUDEB-UHFFFAOYSA-N 1 2 349.434 2.149 20 30 EEEDLO COc1cccc(C(N)=[NH+]OCC(=O)NCCC2=CCCCC2)c1 ZINC000174215888 464378025 /nfs/dbraw/zinc/37/80/25/464378025.db2.gz OVNKWJWBFGQMHY-UHFFFAOYSA-N 1 2 331.416 2.339 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(CC)cc2)C1=O ZINC000281228903 464379288 /nfs/dbraw/zinc/37/92/88/464379288.db2.gz FHLQOXQJBKBDCI-WMLDXEAASA-N 1 2 329.444 2.295 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(CC)cc2)C1=O ZINC000281228903 464379294 /nfs/dbraw/zinc/37/92/94/464379294.db2.gz FHLQOXQJBKBDCI-WMLDXEAASA-N 1 2 329.444 2.295 20 30 EEEDLO CC1(C)[C@H]([NH+]=C([O-])NC[C@@H]2CCc3[nH+]ccn3C2)[C@@H]2CCCO[C@H]21 ZINC000329893532 465465794 /nfs/dbraw/zinc/46/57/94/465465794.db2.gz AWFSRZRBTJKZQK-WMHQRMGPSA-N 1 2 332.448 2.153 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc3ccccc3c2)C1=O ZINC000281498630 464479545 /nfs/dbraw/zinc/47/95/45/464479545.db2.gz XYDAZRJBTKDGEL-GOSISDBHSA-N 1 2 337.423 2.497 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc3ccccc3c2)C1=O ZINC000281498630 464479553 /nfs/dbraw/zinc/47/95/53/464479553.db2.gz XYDAZRJBTKDGEL-GOSISDBHSA-N 1 2 337.423 2.497 20 30 EEEDLO COc1ccc([C@@H](NC(=O)c2cc(C#N)c[nH]2)c2[nH+]ccn2C)cc1 ZINC000175206948 464504360 /nfs/dbraw/zinc/50/43/60/464504360.db2.gz LIOAWAOCIBBWPG-MRXNPFEDSA-N 1 2 335.367 2.148 20 30 EEEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000281932671 464639238 /nfs/dbraw/zinc/63/92/38/464639238.db2.gz HYVYLKDZNFYDNN-UHFFFAOYSA-N 1 2 347.267 2.323 20 30 EEEDLO N#CC1(NC(=O)C2CCN(c3ccc4cccc(O)c4[nH+]3)CC2)CC1 ZINC000182451423 464657963 /nfs/dbraw/zinc/65/79/63/464657963.db2.gz QPDWQZMCIHJHKN-UHFFFAOYSA-N 1 2 336.395 2.329 20 30 EEEDLO C=CC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1ccc(OC)cc1 ZINC000273047087 464700580 /nfs/dbraw/zinc/70/05/80/464700580.db2.gz QDNCEIOEKOZNMU-UHFFFAOYSA-N 1 2 348.443 2.141 20 30 EEEDLO C=CC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1ccc(OC)cc1 ZINC000273047087 464700584 /nfs/dbraw/zinc/70/05/84/464700584.db2.gz QDNCEIOEKOZNMU-UHFFFAOYSA-N 1 2 348.443 2.141 20 30 EEEDLO COC(=O)N1CCN(c2ccc(N[C@H]3CCC[C@@H](C#N)C3)c[nH+]2)CC1 ZINC000295123512 464713514 /nfs/dbraw/zinc/71/35/14/464713514.db2.gz YWRGZQFPVGIVIY-CABCVRRESA-N 1 2 343.431 2.464 20 30 EEEDLO C#CC[N@@H+](Cc1nc2sc(C(=O)OCC)c(C)c2c(N)n1)C1CC1 ZINC000274120740 464735635 /nfs/dbraw/zinc/73/56/35/464735635.db2.gz GSVXQLFMUWTKAU-UHFFFAOYSA-N 1 2 344.440 2.356 20 30 EEEDLO C#CC[N@H+](Cc1nc2sc(C(=O)OCC)c(C)c2c(N)n1)C1CC1 ZINC000274120740 464735642 /nfs/dbraw/zinc/73/56/42/464735642.db2.gz GSVXQLFMUWTKAU-UHFFFAOYSA-N 1 2 344.440 2.356 20 30 EEEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NC[C@@H](C)C#N)CC2)c1 ZINC000182840239 464739562 /nfs/dbraw/zinc/73/95/62/464739562.db2.gz YOMWKGCXIVUYKC-LSDHHAIUSA-N 1 2 330.432 2.243 20 30 EEEDLO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2nncn2C)c1C ZINC000275154961 464765849 /nfs/dbraw/zinc/76/58/49/464765849.db2.gz HKZIHKZQFHSBAJ-OAHLLOKOSA-N 1 2 340.431 2.029 20 30 EEEDLO COCC[NH+](CCOC)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000282380623 464796608 /nfs/dbraw/zinc/79/66/08/464796608.db2.gz NPOOEPIJHWSYPN-UHFFFAOYSA-N 1 2 347.459 2.145 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](CO)C1 ZINC000249352997 464865354 /nfs/dbraw/zinc/86/53/54/464865354.db2.gz XLUZNIXGODSEIV-VXGBXAGGSA-N 1 2 333.457 2.140 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](CO)C1 ZINC000249352997 464865360 /nfs/dbraw/zinc/86/53/60/464865360.db2.gz XLUZNIXGODSEIV-VXGBXAGGSA-N 1 2 333.457 2.140 20 30 EEEDLO C[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](CO)O1 ZINC000249497135 464880468 /nfs/dbraw/zinc/88/04/68/464880468.db2.gz WIIGKVDGXCSFPS-YJBOKZPZSA-N 1 2 340.427 2.045 20 30 EEEDLO C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](CO)O1 ZINC000249497135 464880469 /nfs/dbraw/zinc/88/04/69/464880469.db2.gz WIIGKVDGXCSFPS-YJBOKZPZSA-N 1 2 340.427 2.045 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000298739394 465489084 /nfs/dbraw/zinc/48/90/84/465489084.db2.gz RWEMNCFYIZSSJE-UHFFFAOYSA-N 1 2 337.427 2.369 20 30 EEEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000295675773 464926472 /nfs/dbraw/zinc/92/64/72/464926472.db2.gz RNJJLFLRHKZLTE-HNNXBMFYSA-N 1 2 326.400 2.474 20 30 EEEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000295675773 464926480 /nfs/dbraw/zinc/92/64/80/464926480.db2.gz RNJJLFLRHKZLTE-HNNXBMFYSA-N 1 2 326.400 2.474 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/SCc1ccco1 ZINC000267847693 464943361 /nfs/dbraw/zinc/94/33/61/464943361.db2.gz DLLVNVBADIYZLU-LNKIKWGQSA-N 1 2 349.456 2.101 20 30 EEEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000192636075 464964434 /nfs/dbraw/zinc/96/44/34/464964434.db2.gz MFTMYNVHYKUWSL-UHFFFAOYSA-N 1 2 330.388 2.369 20 30 EEEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000192636075 464964436 /nfs/dbraw/zinc/96/44/36/464964436.db2.gz MFTMYNVHYKUWSL-UHFFFAOYSA-N 1 2 330.388 2.369 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184599877 465005011 /nfs/dbraw/zinc/00/50/11/465005011.db2.gz QGBQHDFIJXEGGK-IBGZPJMESA-N 1 2 342.418 2.439 20 30 EEEDLO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000329412233 465325025 /nfs/dbraw/zinc/32/50/25/465325025.db2.gz FCKZHBCULWSJEP-NRKLIOEPSA-N 1 2 346.475 2.373 20 30 EEEDLO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000329412233 465325027 /nfs/dbraw/zinc/32/50/27/465325027.db2.gz FCKZHBCULWSJEP-NRKLIOEPSA-N 1 2 346.475 2.373 20 30 EEEDLO Cc1cccc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)c1C ZINC000298186559 465326272 /nfs/dbraw/zinc/32/62/72/465326272.db2.gz ARFKSKYUUMXYPA-UHFFFAOYSA-N 1 2 343.452 2.476 20 30 EEEDLO Cc1cccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)c1C ZINC000298186559 465326276 /nfs/dbraw/zinc/32/62/76/465326276.db2.gz ARFKSKYUUMXYPA-UHFFFAOYSA-N 1 2 343.452 2.476 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCOCC2(CC2)C1 ZINC000329438935 465333969 /nfs/dbraw/zinc/33/39/69/465333969.db2.gz JOIXQCHLUAIPQU-UHFFFAOYSA-N 1 2 328.416 2.371 20 30 EEEDLO C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)[C@@H](c2ccccc2)C1 ZINC000330073578 465524913 /nfs/dbraw/zinc/52/49/13/465524913.db2.gz ZYWRTSKDTOYFKG-PMPSAXMXSA-N 1 2 336.457 2.008 20 30 EEEDLO C[N@H+]1C[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)[C@@H](c2ccccc2)C1 ZINC000330073578 465524915 /nfs/dbraw/zinc/52/49/15/465524915.db2.gz ZYWRTSKDTOYFKG-PMPSAXMXSA-N 1 2 336.457 2.008 20 30 EEEDLO CC[C@@H](C(=O)OC)[NH+]1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000352657452 465545435 /nfs/dbraw/zinc/54/54/35/465545435.db2.gz ARMKZRFAARXZQV-KRWDZBQOSA-N 1 2 334.847 2.261 20 30 EEEDLO CC[C@@H](NC(=O)N1CCn2cc[nH+]c2C1)c1nnc2n1CCCCC2 ZINC000330197926 465565617 /nfs/dbraw/zinc/56/56/17/465565617.db2.gz SMMRHZKMEMPZTO-CYBMUJFWSA-N 1 2 343.435 2.082 20 30 EEEDLO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1nc(C(C)(C)C)no1 ZINC000348572891 465693527 /nfs/dbraw/zinc/69/35/27/465693527.db2.gz GIXWRLAKXSCGAY-GFCCVEGCSA-N 1 2 341.415 2.206 20 30 EEEDLO N#CCC[N@H+](CCN1CCOCC1)C[C@H]1CCOc2ccccc21 ZINC000371321209 465712965 /nfs/dbraw/zinc/71/29/65/465712965.db2.gz OTIGVZYFNSVHCH-QGZVFWFLSA-N 1 2 329.444 2.101 20 30 EEEDLO N#CCC[N@@H+](CCN1CCOCC1)C[C@H]1CCOc2ccccc21 ZINC000371321209 465712970 /nfs/dbraw/zinc/71/29/70/465712970.db2.gz OTIGVZYFNSVHCH-QGZVFWFLSA-N 1 2 329.444 2.101 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H]1CCOc2ccccc21 ZINC000371321209 465712971 /nfs/dbraw/zinc/71/29/71/465712971.db2.gz OTIGVZYFNSVHCH-QGZVFWFLSA-N 1 2 329.444 2.101 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CCC(C)(C)C#N)c1ccccc1 ZINC000554897825 468449888 /nfs/dbraw/zinc/44/98/88/468449888.db2.gz CRWBANKTDONVQA-HNNXBMFYSA-N 1 2 346.456 2.369 20 30 EEEDLO N#Cc1cccc(CCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000340103298 465769532 /nfs/dbraw/zinc/76/95/32/465769532.db2.gz BQWFDHZGLIWVKJ-UHFFFAOYSA-N 1 2 349.434 2.363 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cccc(O)c3)CC2)cc1 ZINC000338055549 465786358 /nfs/dbraw/zinc/78/63/58/465786358.db2.gz RTKICHLJPKDKKH-UHFFFAOYSA-N 1 2 335.407 2.151 20 30 EEEDLO C=CC[N@@H+](Cc1nc(N)nc(Nc2ccccc2OC)n1)C1CC1 ZINC000299709157 465864440 /nfs/dbraw/zinc/86/44/40/465864440.db2.gz QBKAHVFVLDBXNT-UHFFFAOYSA-N 1 2 326.404 2.356 20 30 EEEDLO C=CC[N@H+](Cc1nc(N)nc(Nc2ccccc2OC)n1)C1CC1 ZINC000299709157 465864447 /nfs/dbraw/zinc/86/44/47/465864447.db2.gz QBKAHVFVLDBXNT-UHFFFAOYSA-N 1 2 326.404 2.356 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)Nc2c[nH+]ccc2N2CCCC2)cc1 ZINC000555193566 468462774 /nfs/dbraw/zinc/46/27/74/468462774.db2.gz YTQOMUYRYCUQHU-UHFFFAOYSA-N 1 2 328.397 2.354 20 30 EEEDLO CC(C)[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)CC[N@@H+]1C ZINC000362894901 466105264 /nfs/dbraw/zinc/10/52/64/466105264.db2.gz FZMUSTFOWATQPO-CQSZACIVSA-N 1 2 341.864 2.172 20 30 EEEDLO CC(C)[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)CC[N@H+]1C ZINC000362894901 466105265 /nfs/dbraw/zinc/10/52/65/466105265.db2.gz FZMUSTFOWATQPO-CQSZACIVSA-N 1 2 341.864 2.172 20 30 EEEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(C#N)ccc1OC ZINC000372188520 466213903 /nfs/dbraw/zinc/21/39/03/466213903.db2.gz XBZDLWYIJCVIEP-SFHVURJKSA-N 1 2 335.407 2.240 20 30 EEEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(C#N)ccc1OC ZINC000372188520 466213914 /nfs/dbraw/zinc/21/39/14/466213914.db2.gz XBZDLWYIJCVIEP-SFHVURJKSA-N 1 2 335.407 2.240 20 30 EEEDLO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000372194961 466217629 /nfs/dbraw/zinc/21/76/29/466217629.db2.gz DMTKZWRXIDNIRY-SJORKVTESA-N 1 2 335.473 2.088 20 30 EEEDLO CCS(=O)(=O)NCCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000372194961 466217634 /nfs/dbraw/zinc/21/76/34/466217634.db2.gz DMTKZWRXIDNIRY-SJORKVTESA-N 1 2 335.473 2.088 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Br)cc1F ZINC000555482572 468479042 /nfs/dbraw/zinc/47/90/42/468479042.db2.gz DYECKFPWWJCBFF-CYBMUJFWSA-N 1 2 328.185 2.162 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@](F)(CO)C2)c1 ZINC000338588049 466238916 /nfs/dbraw/zinc/23/89/16/466238916.db2.gz SCWNYXZXXSTATB-APWZRJJASA-N 1 2 347.434 2.345 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@](F)(CO)C2)c1 ZINC000338588049 466238922 /nfs/dbraw/zinc/23/89/22/466238922.db2.gz SCWNYXZXXSTATB-APWZRJJASA-N 1 2 347.434 2.345 20 30 EEEDLO CCC(C#N)(CC)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000311678024 466525612 /nfs/dbraw/zinc/52/56/12/466525612.db2.gz LHALOMVXCCPUKJ-KRWDZBQOSA-N 1 2 329.444 2.334 20 30 EEEDLO CCC(C#N)(CC)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000311678024 466525619 /nfs/dbraw/zinc/52/56/19/466525619.db2.gz LHALOMVXCCPUKJ-KRWDZBQOSA-N 1 2 329.444 2.334 20 30 EEEDLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+](CCC#N)CCC(C)C ZINC000362174027 466603179 /nfs/dbraw/zinc/60/31/79/466603179.db2.gz RXBVQQFWUVGPOV-MRXNPFEDSA-N 1 2 337.464 2.192 20 30 EEEDLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000362174027 466603186 /nfs/dbraw/zinc/60/31/86/466603186.db2.gz RXBVQQFWUVGPOV-MRXNPFEDSA-N 1 2 337.464 2.192 20 30 EEEDLO N#CCC1(CS(=O)(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000333383578 466617831 /nfs/dbraw/zinc/61/78/31/466617831.db2.gz FUIYWDQYRNLWGO-UHFFFAOYSA-N 1 2 348.472 2.185 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000423698427 466806669 /nfs/dbraw/zinc/80/66/69/466806669.db2.gz NFHRZSQYLJNGHV-LBPRGKRZSA-N 1 2 340.370 2.235 20 30 EEEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000376595803 466920796 /nfs/dbraw/zinc/92/07/96/466920796.db2.gz QXPIPHNRAZGXGS-UHFFFAOYSA-N 1 2 326.444 2.341 20 30 EEEDLO N#CCOc1ccc(/C=C/C(=O)Nc2c[nH+]ccc2-n2ccnn2)cc1 ZINC000377444080 467059397 /nfs/dbraw/zinc/05/93/97/467059397.db2.gz YZHCOPMCGZAYLE-ZZXKWVIFSA-N 1 2 346.350 2.217 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000424499151 467061364 /nfs/dbraw/zinc/06/13/64/467061364.db2.gz DGTNHOLHMYGDMD-SJORKVTESA-N 1 2 349.500 2.467 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000424499151 467061366 /nfs/dbraw/zinc/06/13/66/467061366.db2.gz DGTNHOLHMYGDMD-SJORKVTESA-N 1 2 349.500 2.467 20 30 EEEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000425478337 467096913 /nfs/dbraw/zinc/09/69/13/467096913.db2.gz OUPNECSKYACDQF-HNNXBMFYSA-N 1 2 344.459 2.371 20 30 EEEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000425478337 467096915 /nfs/dbraw/zinc/09/69/15/467096915.db2.gz OUPNECSKYACDQF-HNNXBMFYSA-N 1 2 344.459 2.371 20 30 EEEDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000377937679 467167765 /nfs/dbraw/zinc/16/77/65/467167765.db2.gz GYDODWKDZSTORG-UHFFFAOYSA-N 1 2 341.371 2.243 20 30 EEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000413111349 467171955 /nfs/dbraw/zinc/17/19/55/467171955.db2.gz TYBPZJLIVSFLRX-AEFFLSMTSA-N 1 2 331.460 2.194 20 30 EEEDLO CN(C(=O)Nc1ccn(CCC#N)n1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000432943338 467278454 /nfs/dbraw/zinc/27/84/54/467278454.db2.gz LNQDVPUICXHOLO-MRXNPFEDSA-N 1 2 349.398 2.773 20 30 EEEDLO C=CCc1cc(C(=O)N2CC(n3cc[nH+]c3)C2)cc(OC)c1OC ZINC000524399354 467638921 /nfs/dbraw/zinc/63/89/21/467638921.db2.gz RMEJAAOZIURFQG-UHFFFAOYSA-N 1 2 327.384 2.326 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000527297620 467657935 /nfs/dbraw/zinc/65/79/35/467657935.db2.gz YKBBOLIHCAUXMW-MAUKXSAKSA-N 1 2 327.428 2.185 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000527297620 467657938 /nfs/dbraw/zinc/65/79/38/467657938.db2.gz YKBBOLIHCAUXMW-MAUKXSAKSA-N 1 2 327.428 2.185 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000455438870 467682746 /nfs/dbraw/zinc/68/27/46/467682746.db2.gz WJISFSFRMAYBJV-CVEARBPZSA-N 1 2 335.473 2.309 20 30 EEEDLO N#CCc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c(Cl)c1 ZINC000455731971 467696592 /nfs/dbraw/zinc/69/65/92/467696592.db2.gz LWZOPOZBNFJNTI-CQSZACIVSA-N 1 2 348.834 2.391 20 30 EEEDLO N#CCc1ccc(NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c(Cl)c1 ZINC000455731971 467696598 /nfs/dbraw/zinc/69/65/98/467696598.db2.gz LWZOPOZBNFJNTI-CQSZACIVSA-N 1 2 348.834 2.391 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1csc(Br)c1 ZINC000493162938 467852670 /nfs/dbraw/zinc/85/26/70/467852670.db2.gz VHHKLSSYVGQHKQ-ZFDPJTLLSA-N 1 2 342.262 2.484 20 30 EEEDLO COC(=O)N1CC[NH+](Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000494349682 468047628 /nfs/dbraw/zinc/04/76/28/468047628.db2.gz ONHLWRKVXURTIF-UHFFFAOYSA-N 1 2 347.415 2.262 20 30 EEEDLO CCOC(=O)[C@@H]1CSCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000531912185 468084517 /nfs/dbraw/zinc/08/45/17/468084517.db2.gz RGEYAXCQCZDFSI-INIZCTEOSA-N 1 2 334.441 2.308 20 30 EEEDLO CCOC(=O)[C@@H]1CSCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000531912185 468084520 /nfs/dbraw/zinc/08/45/20/468084520.db2.gz RGEYAXCQCZDFSI-INIZCTEOSA-N 1 2 334.441 2.308 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3ccc(F)cc3)C2)nc1 ZINC000518355633 468112937 /nfs/dbraw/zinc/11/29/37/468112937.db2.gz XYSJCWALJPLTAQ-INIZCTEOSA-N 1 2 340.358 2.184 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3ccc(F)cc3)C2)nc1 ZINC000518355633 468112939 /nfs/dbraw/zinc/11/29/39/468112939.db2.gz XYSJCWALJPLTAQ-INIZCTEOSA-N 1 2 340.358 2.184 20 30 EEEDLO Cc1ccc(-c2nc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)cs2)o1 ZINC000518462719 468116651 /nfs/dbraw/zinc/11/66/51/468116651.db2.gz RWDHLOOWJWIDDE-MRXNPFEDSA-N 1 2 332.429 2.214 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(C#N)n1)c1cccc(F)c1 ZINC000589272560 468140195 /nfs/dbraw/zinc/14/01/95/468140195.db2.gz SJMNHSQIWMUNPT-INIZCTEOSA-N 1 2 335.342 2.345 20 30 EEEDLO C[C@H](O)[C@H]1CCN(c2cc(N3CCC(CCC#N)CC3)[nH+]cn2)C1 ZINC000576034090 468158770 /nfs/dbraw/zinc/15/87/70/468158770.db2.gz LMLZHMBRNAVMOE-HOCLYGCPSA-N 1 2 329.448 2.204 20 30 EEEDLO C[C@H](O)[C@H]1CCN(c2cc(N3CCC(CCC#N)CC3)nc[nH+]2)C1 ZINC000576034090 468158773 /nfs/dbraw/zinc/15/87/73/468158773.db2.gz LMLZHMBRNAVMOE-HOCLYGCPSA-N 1 2 329.448 2.204 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000567545409 468172873 /nfs/dbraw/zinc/17/28/73/468172873.db2.gz FFZPPPJFSSPKSM-IYBDPMFKSA-N 1 2 337.508 2.378 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000567545409 468172876 /nfs/dbraw/zinc/17/28/76/468172876.db2.gz FFZPPPJFSSPKSM-IYBDPMFKSA-N 1 2 337.508 2.378 20 30 EEEDLO COc1c(N)[nH+]cnc1N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000519767975 468207036 /nfs/dbraw/zinc/20/70/36/468207036.db2.gz GYJJDNMYJQYWIU-UHFFFAOYSA-N 1 2 343.362 2.126 20 30 EEEDLO COc1c(N)nc[nH+]c1N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000519767975 468207040 /nfs/dbraw/zinc/20/70/40/468207040.db2.gz GYJJDNMYJQYWIU-UHFFFAOYSA-N 1 2 343.362 2.126 20 30 EEEDLO C#CCN(C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C)C1CCCC1 ZINC000490740785 468244562 /nfs/dbraw/zinc/24/45/62/468244562.db2.gz QYYAHHLRFAPRCX-UHFFFAOYSA-N 1 2 338.411 2.225 20 30 EEEDLO CC(C)CSCCCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000582677281 468577407 /nfs/dbraw/zinc/57/74/07/468577407.db2.gz MULRTNFHGXTAAE-UHFFFAOYSA-N 1 2 349.500 2.331 20 30 EEEDLO CN(CC[NH+]1CCOCC1)c1cc(Br)c(C#N)cc1F ZINC000570243846 468609342 /nfs/dbraw/zinc/60/93/42/468609342.db2.gz HSASYJBSYMXMGS-UHFFFAOYSA-N 1 2 342.212 2.228 20 30 EEEDLO C[C@@H](NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccc2ccccc2c1 ZINC000592144581 468637035 /nfs/dbraw/zinc/63/70/35/468637035.db2.gz BBUOKIWACOFNFZ-FOIQADDNSA-N 1 2 337.423 2.367 20 30 EEEDLO C[C@@H](NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccc2ccccc2c1 ZINC000592144581 468637040 /nfs/dbraw/zinc/63/70/40/468637040.db2.gz BBUOKIWACOFNFZ-FOIQADDNSA-N 1 2 337.423 2.367 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149659 468639822 /nfs/dbraw/zinc/63/98/22/468639822.db2.gz SZXMMOBZAHVNSV-WMLDXEAASA-N 1 2 333.457 2.002 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149659 468639827 /nfs/dbraw/zinc/63/98/27/468639827.db2.gz SZXMMOBZAHVNSV-WMLDXEAASA-N 1 2 333.457 2.002 20 30 EEEDLO N#C[C@@H](CCc1ccccc1)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597707033 468646014 /nfs/dbraw/zinc/64/60/14/468646014.db2.gz MIESQNRWHWMLIL-RTBURBONSA-N 1 2 341.455 2.082 20 30 EEEDLO N#CC[C@@H]1CCCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000597908855 468708382 /nfs/dbraw/zinc/70/83/82/468708382.db2.gz CWXHUONQHXFSEM-INIZCTEOSA-N 1 2 327.428 2.285 20 30 EEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000597998710 468735084 /nfs/dbraw/zinc/73/50/84/468735084.db2.gz VJUWBKKPWPHQDS-KGLIPLIRSA-N 1 2 347.434 2.200 20 30 EEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000597998710 468735090 /nfs/dbraw/zinc/73/50/90/468735090.db2.gz VJUWBKKPWPHQDS-KGLIPLIRSA-N 1 2 347.434 2.200 20 30 EEEDLO COC(=O)c1ccc(NCCCCNc2cccc[nH+]2)c(C#N)n1 ZINC000584018889 468786005 /nfs/dbraw/zinc/78/60/05/468786005.db2.gz CGKQOXFIHCJERP-UHFFFAOYSA-N 1 2 325.372 2.439 20 30 EEEDLO N#Cc1ccc2c(c1)CCN2C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000561065429 468861366 /nfs/dbraw/zinc/86/13/66/468861366.db2.gz YQDXQVZEUQHZDX-HXUWFJFHSA-N 1 2 347.418 2.348 20 30 EEEDLO N#Cc1ccc2c(c1)CCN2C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000561065429 468861371 /nfs/dbraw/zinc/86/13/71/468861371.db2.gz YQDXQVZEUQHZDX-HXUWFJFHSA-N 1 2 347.418 2.348 20 30 EEEDLO Cc1nsc(N2CC[NH+](Cc3cc(C)nc(C)n3)CC2)c1C#N ZINC000595495859 468875726 /nfs/dbraw/zinc/87/57/26/468875726.db2.gz UVWPTIVDGILUMQ-UHFFFAOYSA-N 1 2 328.445 2.052 20 30 EEEDLO Cc1[nH+]cn(-c2ccc(NC[C@@H](O)CN(C)CCC#N)cc2)c1C ZINC000584716420 468919590 /nfs/dbraw/zinc/91/95/90/468919590.db2.gz OBTMVDDYNDQIHI-GOSISDBHSA-N 1 2 327.432 2.107 20 30 EEEDLO CC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H](C)C(=O)OC(C)(C)C ZINC000595603526 468919661 /nfs/dbraw/zinc/91/96/61/468919661.db2.gz NZPAHFJLPUXSCE-ZBFHGGJFSA-N 1 2 348.443 2.350 20 30 EEEDLO CC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H](C)C(=O)OC(C)(C)C ZINC000595603526 468919666 /nfs/dbraw/zinc/91/96/66/468919666.db2.gz NZPAHFJLPUXSCE-ZBFHGGJFSA-N 1 2 348.443 2.350 20 30 EEEDLO N#Cc1ccc(CSCC(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000598946341 469060514 /nfs/dbraw/zinc/06/05/14/469060514.db2.gz HEKJWISDWCOPIE-OAHLLOKOSA-N 1 2 326.425 2.119 20 30 EEEDLO Cc1noc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)n1 ZINC000586788689 469066634 /nfs/dbraw/zinc/06/66/34/469066634.db2.gz JZTUQFLPCIQRGM-NVXWUHKLSA-N 1 2 342.399 2.021 20 30 EEEDLO Cc1noc([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)n1 ZINC000586788689 469066639 /nfs/dbraw/zinc/06/66/39/469066639.db2.gz JZTUQFLPCIQRGM-NVXWUHKLSA-N 1 2 342.399 2.021 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(OCc2ccccc2)nc1 ZINC000573568497 469163438 /nfs/dbraw/zinc/16/34/38/469163438.db2.gz WSXIGNHODHINBI-LJQANCHMSA-N 1 2 338.411 2.234 20 30 EEEDLO CCN1CCN(C(=O)Nc2cccc(CC#N)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000573800289 469208865 /nfs/dbraw/zinc/20/88/65/469208865.db2.gz PNLUWZMPHXNOMG-MRXNPFEDSA-N 1 2 338.415 2.386 20 30 EEEDLO Cc1n[nH]c(C)c1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000611260181 469211331 /nfs/dbraw/zinc/21/13/31/469211331.db2.gz WJRBCFWTHIILIT-UHFFFAOYSA-N 1 2 326.404 2.086 20 30 EEEDLO CCc1nc(C#N)cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)n1 ZINC000596350612 469248497 /nfs/dbraw/zinc/24/84/97/469248497.db2.gz YSDPHRLFFKVEOB-MSOLQXFVSA-N 1 2 349.438 2.000 20 30 EEEDLO CCc1nc(C#N)cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)n1 ZINC000596350612 469248501 /nfs/dbraw/zinc/24/85/01/469248501.db2.gz YSDPHRLFFKVEOB-MSOLQXFVSA-N 1 2 349.438 2.000 20 30 EEEDLO C=C1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000564463269 469254454 /nfs/dbraw/zinc/25/44/54/469254454.db2.gz RLMKCTRSXJKQKL-KRWDZBQOSA-N 1 2 344.459 2.196 20 30 EEEDLO C=C1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000564463269 469254459 /nfs/dbraw/zinc/25/44/59/469254459.db2.gz RLMKCTRSXJKQKL-KRWDZBQOSA-N 1 2 344.459 2.196 20 30 EEEDLO CC(C)[C@@H](C)NC(=O)C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551843 469278028 /nfs/dbraw/zinc/27/80/28/469278028.db2.gz VPIATOCMCGOCDI-CRAIPNDOSA-N 1 2 346.450 2.169 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1CCC(C#N)CC1)C(C)(C)CO ZINC000596596766 469309250 /nfs/dbraw/zinc/30/92/50/469309250.db2.gz UTIWVQXOQDCWBJ-NRXISQOPSA-N 1 2 347.463 2.109 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2cc(C#N)ccc2Br)nn1 ZINC000603241342 469320768 /nfs/dbraw/zinc/32/07/68/469320768.db2.gz KOHQPWRZKUJUDB-UHFFFAOYSA-N 1 2 344.216 2.073 20 30 EEEDLO N#CCCN(CCC#N)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602581450 469370847 /nfs/dbraw/zinc/37/08/47/469370847.db2.gz KPUBHHXYLWBMGH-UHFFFAOYSA-N 1 2 342.443 2.027 20 30 EEEDLO COc1cc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c(F)cc1C#N ZINC000599816061 469380619 /nfs/dbraw/zinc/38/06/19/469380619.db2.gz JWWCFOPBXWNCDO-LLVKDONJSA-N 1 2 343.362 2.461 20 30 EEEDLO COc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@](C)(C#N)C2)cc1OC ZINC000612161009 469408162 /nfs/dbraw/zinc/40/81/62/469408162.db2.gz NSQPJULWPKEOEZ-AUUYWEPGSA-N 1 2 345.443 2.334 20 30 EEEDLO COc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@](C)(C#N)C2)cc1OC ZINC000612161009 469408164 /nfs/dbraw/zinc/40/81/64/469408164.db2.gz NSQPJULWPKEOEZ-AUUYWEPGSA-N 1 2 345.443 2.334 20 30 EEEDLO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612164864 469408915 /nfs/dbraw/zinc/40/89/15/469408915.db2.gz HMNGGDQKEYKFEO-FUHWJXTLSA-N 1 2 331.416 2.010 20 30 EEEDLO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612164864 469408916 /nfs/dbraw/zinc/40/89/16/469408916.db2.gz HMNGGDQKEYKFEO-FUHWJXTLSA-N 1 2 331.416 2.010 20 30 EEEDLO C[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000604402037 469477242 /nfs/dbraw/zinc/47/72/42/469477242.db2.gz NNZBACMVKQCSIQ-HNNXBMFYSA-N 1 2 326.444 2.432 20 30 EEEDLO C[C@@H](CC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)n1cc[nH+]c1 ZINC000604448258 469479713 /nfs/dbraw/zinc/47/97/13/469479713.db2.gz NNMNTANMCGLMSC-INIZCTEOSA-N 1 2 337.427 2.050 20 30 EEEDLO C=CCC1(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CCCC1 ZINC000619109969 469529809 /nfs/dbraw/zinc/52/98/09/469529809.db2.gz ADMSPXOMALUKOU-MRXNPFEDSA-N 1 2 346.475 2.488 20 30 EEEDLO C=CCC1(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CCCC1 ZINC000619109969 469529813 /nfs/dbraw/zinc/52/98/13/469529813.db2.gz ADMSPXOMALUKOU-MRXNPFEDSA-N 1 2 346.475 2.488 20 30 EEEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCCn1cc[nH+]c1 ZINC000613124195 469634558 /nfs/dbraw/zinc/63/45/58/469634558.db2.gz UUFHPXXMJADRQG-UHFFFAOYSA-N 1 2 335.371 2.063 20 30 EEEDLO COc1ccc(C[N@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000609671266 469953957 /nfs/dbraw/zinc/95/39/57/469953957.db2.gz ZIGVOJGBOCINGV-SFHVURJKSA-N 1 2 339.395 2.234 20 30 EEEDLO COc1ccc(C[N@@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000609671266 469953961 /nfs/dbraw/zinc/95/39/61/469953961.db2.gz ZIGVOJGBOCINGV-SFHVURJKSA-N 1 2 339.395 2.234 20 30 EEEDLO Cc1nccc([C@@H]2CCC[N@@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C2)n1 ZINC000609671589 469954087 /nfs/dbraw/zinc/95/40/87/469954087.db2.gz IXKAXXFSEBTQIE-AEFFLSMTSA-N 1 2 335.411 2.063 20 30 EEEDLO Cc1nccc([C@@H]2CCC[N@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C2)n1 ZINC000609671589 469954091 /nfs/dbraw/zinc/95/40/91/469954091.db2.gz IXKAXXFSEBTQIE-AEFFLSMTSA-N 1 2 335.411 2.063 20 30 EEEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000610422464 470013948 /nfs/dbraw/zinc/01/39/48/470013948.db2.gz GPNWBMDCAQUQLW-MRXNPFEDSA-N 1 2 338.367 2.015 20 30 EEEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000610422464 470013952 /nfs/dbraw/zinc/01/39/52/470013952.db2.gz GPNWBMDCAQUQLW-MRXNPFEDSA-N 1 2 338.367 2.015 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635889190 470798833 /nfs/dbraw/zinc/79/88/33/470798833.db2.gz IJNTZOWWEBQSJJ-DYVFJYSZSA-N 1 2 327.384 2.289 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(OC)cc2Br)nn1 ZINC000641118681 471211078 /nfs/dbraw/zinc/21/10/78/471211078.db2.gz RASOTBJYWFUVIU-UHFFFAOYSA-N 1 2 349.232 2.210 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000682164364 486430318 /nfs/dbraw/zinc/43/03/18/486430318.db2.gz OBJMYQWFOYGVGH-YJBOKZPZSA-N 1 2 335.448 2.245 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000682164364 486430321 /nfs/dbraw/zinc/43/03/21/486430321.db2.gz OBJMYQWFOYGVGH-YJBOKZPZSA-N 1 2 335.448 2.245 20 30 EEEDLO N#CC1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCOCC1 ZINC000109140371 534543996 /nfs/dbraw/zinc/54/39/96/534543996.db2.gz ZSIWZHSFWIHIJX-UHFFFAOYSA-N 1 2 328.416 2.008 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F ZINC000451605187 534610569 /nfs/dbraw/zinc/61/05/69/534610569.db2.gz CNYPAXIHFMHVIH-AGIUHOORSA-N 1 2 343.196 2.048 20 30 EEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000191109499 526301232 /nfs/dbraw/zinc/30/12/32/526301232.db2.gz YBKAQVSFHHUVPI-UHFFFAOYSA-N 1 2 327.768 2.321 20 30 EEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000191109499 526301237 /nfs/dbraw/zinc/30/12/37/526301237.db2.gz YBKAQVSFHHUVPI-UHFFFAOYSA-N 1 2 327.768 2.321 20 30 EEEDLO C=C(C)C[N@@H+](CC)Cc1nnc2n1c1ccccc1c(=O)n2CC ZINC000102681404 526549593 /nfs/dbraw/zinc/54/95/93/526549593.db2.gz AUQDBAOXOQUCDN-UHFFFAOYSA-N 1 2 325.416 2.462 20 30 EEEDLO C=C(C)C[N@H+](CC)Cc1nnc2n1c1ccccc1c(=O)n2CC ZINC000102681404 526549597 /nfs/dbraw/zinc/54/95/97/526549597.db2.gz AUQDBAOXOQUCDN-UHFFFAOYSA-N 1 2 325.416 2.462 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](C)Oc2cccc(C)c2)CC1 ZINC000339003865 526770504 /nfs/dbraw/zinc/77/05/04/526770504.db2.gz RIHGOOMDDLTIFG-KRWDZBQOSA-N 1 2 332.444 2.109 20 30 EEEDLO C=CCOc1ccc(C[N@H+](C)[C@H](C)CS(C)(=O)=O)cc1OC ZINC000093384729 526862676 /nfs/dbraw/zinc/86/26/76/526862676.db2.gz FJSADBZVMGDKGO-CYBMUJFWSA-N 1 2 327.446 2.125 20 30 EEEDLO C=CCOc1ccc(C[N@@H+](C)[C@H](C)CS(C)(=O)=O)cc1OC ZINC000093384729 526862681 /nfs/dbraw/zinc/86/26/81/526862681.db2.gz FJSADBZVMGDKGO-CYBMUJFWSA-N 1 2 327.446 2.125 20 30 EEEDLO C=CC[C@H](C)NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000116950435 527130090 /nfs/dbraw/zinc/13/00/90/527130090.db2.gz PLAMZTJNLVXOME-INIZCTEOSA-N 1 2 347.459 2.161 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)nc1 ZINC000728803381 576530989 /nfs/dbraw/zinc/53/09/89/576530989.db2.gz YWSRGEJJWNNCME-KRWDZBQOSA-N 1 2 334.354 2.455 20 30 EEEDLO COc1cccc([C@@H](C#N)NC(=O)CCCn2cc[nH+]c2)c1OC ZINC000729431095 576653981 /nfs/dbraw/zinc/65/39/81/576653981.db2.gz ARLQXJBOJCVKAF-CQSZACIVSA-N 1 2 328.372 2.062 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000730275944 577014678 /nfs/dbraw/zinc/01/46/78/577014678.db2.gz CQLXGBULZOCVJD-KRWDZBQOSA-N 1 2 325.412 2.240 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000730275944 577014679 /nfs/dbraw/zinc/01/46/79/577014679.db2.gz CQLXGBULZOCVJD-KRWDZBQOSA-N 1 2 325.412 2.240 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000734465343 577300811 /nfs/dbraw/zinc/30/08/11/577300811.db2.gz GVMOUOAKFUEXCV-OYHNWAKOSA-N 1 2 338.860 2.255 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000734465343 577300812 /nfs/dbraw/zinc/30/08/12/577300812.db2.gz GVMOUOAKFUEXCV-OYHNWAKOSA-N 1 2 338.860 2.255 20 30 EEEDLO Cc1cccc(NC(=O)[C@H](C#N)C(=O)C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000773972789 577375885 /nfs/dbraw/zinc/37/58/85/577375885.db2.gz ACLXSOLZAALYIO-LSDHHAIUSA-N 1 2 331.441 2.080 20 30 EEEDLO Cc1cccc(NC(=O)[C@H](C#N)C(=O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000773972789 577375886 /nfs/dbraw/zinc/37/58/86/577375886.db2.gz ACLXSOLZAALYIO-LSDHHAIUSA-N 1 2 331.441 2.080 20 30 EEEDLO C#C[C@@H]([NH2+]Cc1ccc(OC)c(O)c1Br)[C@H]1CCCO1 ZINC000775351732 577435811 /nfs/dbraw/zinc/43/58/11/577435811.db2.gz UEBGIEFFGBBSFH-VXGBXAGGSA-N 1 2 340.217 2.434 20 30 EEEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)Cc2[nH+]ccn2C)c1 ZINC000775435830 577437255 /nfs/dbraw/zinc/43/72/55/577437255.db2.gz OPEFUDNERRRVPJ-HNNXBMFYSA-N 1 2 341.415 2.443 20 30 EEEDLO C=CCCOCCCCC(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000775756531 577444893 /nfs/dbraw/zinc/44/48/93/577444893.db2.gz LGRFKOMZXJCJGA-OAHLLOKOSA-N 1 2 339.505 2.385 20 30 EEEDLO C#C[C@@H]([NH2+]Cc1cc(O)c(OC)cc1Br)[C@H]1CCCO1 ZINC000776001661 577450458 /nfs/dbraw/zinc/45/04/58/577450458.db2.gz QLKDTROPNUHTGB-TZMCWYRMSA-N 1 2 340.217 2.434 20 30 EEEDLO N#Cc1ccc(-c2ccn(C[NH+]3CCC(O)(C(F)F)CC3)n2)cc1 ZINC000777574145 577482117 /nfs/dbraw/zinc/48/21/17/577482117.db2.gz GXAWCFCOJGTVIW-UHFFFAOYSA-N 1 2 332.354 2.471 20 30 EEEDLO Cn1ncc2c1nc(N=NC1CCCC[C@@H]1[NH+]1CCCCC1)[nH]c2=O ZINC000769818046 577585236 /nfs/dbraw/zinc/58/52/36/577585236.db2.gz DWQDWBQZAFDNOQ-AWEZNQCLSA-N 1 2 343.435 2.265 20 30 EEEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)Cn1cccc(C#N)c1=O ZINC000758228897 577619241 /nfs/dbraw/zinc/61/92/41/577619241.db2.gz CQIBWFRNIMTHQG-UHFFFAOYSA-N 1 2 333.395 2.054 20 30 EEEDLO N#Cc1cccn(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1=O ZINC000758233797 577619388 /nfs/dbraw/zinc/61/93/88/577619388.db2.gz WTACNTLLCHVEED-LJQANCHMSA-N 1 2 337.423 2.401 20 30 EEEDLO N#Cc1cccn(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1=O ZINC000758233797 577619389 /nfs/dbraw/zinc/61/93/89/577619389.db2.gz WTACNTLLCHVEED-LJQANCHMSA-N 1 2 337.423 2.401 20 30 EEEDLO CC(C)[N@H+](CCS(C)(=O)=O)Cc1ccc(C#N)cc1OC(F)F ZINC000759231167 577639508 /nfs/dbraw/zinc/63/95/08/577639508.db2.gz ICZIPJQWHHGZIU-UHFFFAOYSA-N 1 2 346.399 2.415 20 30 EEEDLO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1ccc(C#N)cc1OC(F)F ZINC000759231167 577639509 /nfs/dbraw/zinc/63/95/09/577639509.db2.gz ICZIPJQWHHGZIU-UHFFFAOYSA-N 1 2 346.399 2.415 20 30 EEEDLO C=CC[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000759849438 577651984 /nfs/dbraw/zinc/65/19/84/577651984.db2.gz FKTFAOIANGYEMO-WFASDCNBSA-N 1 2 347.839 2.188 20 30 EEEDLO C=CC[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000759849438 577651985 /nfs/dbraw/zinc/65/19/85/577651985.db2.gz FKTFAOIANGYEMO-WFASDCNBSA-N 1 2 347.839 2.188 20 30 EEEDLO C#CCN1CC[NH+]([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000760899150 577671612 /nfs/dbraw/zinc/67/16/12/577671612.db2.gz XVVLDSSSNHYMJD-OAQYLSRUSA-N 1 2 347.462 2.295 20 30 EEEDLO C#CC[NH+]1CCN([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000760899150 577671613 /nfs/dbraw/zinc/67/16/13/577671613.db2.gz XVVLDSSSNHYMJD-OAQYLSRUSA-N 1 2 347.462 2.295 20 30 EEEDLO Cc1cccn2cc(COC(=O)C#Cc3ccc4c(c3)OCO4)[nH+]c12 ZINC000761210855 577679286 /nfs/dbraw/zinc/67/92/86/577679286.db2.gz AHNNORUSVSOLAF-UHFFFAOYSA-N 1 2 334.331 2.466 20 30 EEEDLO O=[N+]([O-])c1ccc(O)c(/C=N\[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000763098479 577714918 /nfs/dbraw/zinc/71/49/18/577714918.db2.gz XTWMNGMFZGDQDO-JFNRVDGVSA-N 1 2 333.388 2.363 20 30 EEEDLO COc1ccc(C(N)=[NH+]O[C@H]2CCCN(CC(C)(C)C)C2=O)cc1 ZINC000763426835 577721004 /nfs/dbraw/zinc/72/10/04/577721004.db2.gz OATVONJTRWKNMC-HNNXBMFYSA-N 1 2 333.432 2.369 20 30 EEEDLO Cc1ccc2[nH+]cc(C=NN3C(=O)NC4(CCCCC4)C3=O)n2c1 ZINC000755542727 577826573 /nfs/dbraw/zinc/82/65/73/577826573.db2.gz HMLRFWIPYUZWOA-UHFFFAOYSA-N 1 2 325.372 2.231 20 30 EEEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)CN1C[C@@]2(CCOC2)CC1=O ZINC000756848441 577851166 /nfs/dbraw/zinc/85/11/66/577851166.db2.gz NQAUBLVYRAOGLL-LJQANCHMSA-N 1 2 325.412 2.143 20 30 EEEDLO C=CC[N@H+](Cc1cccc(C#N)c1)CN1C[C@@]2(CCOC2)CC1=O ZINC000756848441 577851167 /nfs/dbraw/zinc/85/11/67/577851167.db2.gz NQAUBLVYRAOGLL-LJQANCHMSA-N 1 2 325.412 2.143 20 30 EEEDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000745080154 577907921 /nfs/dbraw/zinc/90/79/21/577907921.db2.gz SLQXBAHSJSFIJZ-AWEZNQCLSA-N 1 2 326.356 2.136 20 30 EEEDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000745080154 577907922 /nfs/dbraw/zinc/90/79/22/577907922.db2.gz SLQXBAHSJSFIJZ-AWEZNQCLSA-N 1 2 326.356 2.136 20 30 EEEDLO C=CC[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccncc1 ZINC000745827499 577919212 /nfs/dbraw/zinc/91/92/12/577919212.db2.gz KXQHWGJPHDAUQZ-ZWKOTPCHSA-N 1 2 344.459 2.205 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CN2CC[C@@H](C)Sc3ccccc32)CC1 ZINC000748809525 577966984 /nfs/dbraw/zinc/96/69/84/577966984.db2.gz BJRLMPNTNZOIQC-MRXNPFEDSA-N 1 2 343.496 2.155 20 30 EEEDLO C[C@H](O[NH+]=C(N)c1ccc(F)cc1)C(=O)NCCc1cccs1 ZINC000749787702 577981589 /nfs/dbraw/zinc/98/15/89/577981589.db2.gz VXPUMTCHFPCIRT-NSHDSACASA-N 1 2 335.404 2.272 20 30 EEEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C[C@H]1CCOC1 ZINC000749847061 577982958 /nfs/dbraw/zinc/98/29/58/577982958.db2.gz JYONSMKNXAXYKW-OLZOCXBDSA-N 1 2 329.425 2.441 20 30 EEEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C[C@H]1CCOC1 ZINC000749847061 577982959 /nfs/dbraw/zinc/98/29/59/577982959.db2.gz JYONSMKNXAXYKW-OLZOCXBDSA-N 1 2 329.425 2.441 20 30 EEEDLO CC(=[NH+]Nc1ccnc(N(C)C)n1)c1cccc(N2CCOCC2)c1 ZINC000739413178 578052627 /nfs/dbraw/zinc/05/26/27/578052627.db2.gz JCEHCIFIFZQCDJ-UHFFFAOYSA-N 1 2 340.431 2.215 20 30 EEEDLO Cc1nc(N(C)C)sc1C=[NH+]Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826327149 607886295 /nfs/dbraw/zinc/88/62/95/607886295.db2.gz UVMINVMQRHAEQA-UHFFFAOYSA-N 1 2 328.405 2.144 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826384779 608070685 /nfs/dbraw/zinc/07/06/85/608070685.db2.gz JPHNRUJFBWRHAZ-GOSISDBHSA-N 1 2 346.394 2.312 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826384779 608070686 /nfs/dbraw/zinc/07/06/86/608070686.db2.gz JPHNRUJFBWRHAZ-GOSISDBHSA-N 1 2 346.394 2.312 20 30 EEEDLO C#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2nnc(C)[nH]2)cc1 ZINC001021341610 675990825 /nfs/dbraw/zinc/99/08/25/675990825.db2.gz AKSQUICOGYENLJ-AYHJJNSGSA-N 1 2 349.438 2.020 20 30 EEEDLO C#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nnc(C)[nH]2)cc1 ZINC001021341610 675990826 /nfs/dbraw/zinc/99/08/26/675990826.db2.gz AKSQUICOGYENLJ-AYHJJNSGSA-N 1 2 349.438 2.020 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC000970778528 676147098 /nfs/dbraw/zinc/14/70/98/676147098.db2.gz GZEIVXZEHZGSDA-LLVKDONJSA-N 1 2 346.818 2.138 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nc(C4CC4)no3)C2)CC1 ZINC000969830867 675236148 /nfs/dbraw/zinc/23/61/48/675236148.db2.gz URNOHKZPDDKQAF-OAHLLOKOSA-N 1 2 330.432 2.384 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000970261217 675752740 /nfs/dbraw/zinc/75/27/40/675752740.db2.gz FUKAQILJWALHPO-GFCCVEGCSA-N 1 2 345.834 2.274 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C)nc2)C1 ZINC000971088285 676362311 /nfs/dbraw/zinc/36/23/11/676362311.db2.gz KNMROQHIOKKZDD-AWEZNQCLSA-N 1 2 338.249 2.445 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2ccnc2C)C1 ZINC001021737512 676395342 /nfs/dbraw/zinc/39/53/42/676395342.db2.gz VADIEHYUWSJRJP-HZPDHXFCSA-N 1 2 336.867 2.257 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2ccnc2C)C1 ZINC001021737512 676395345 /nfs/dbraw/zinc/39/53/45/676395345.db2.gz VADIEHYUWSJRJP-HZPDHXFCSA-N 1 2 336.867 2.257 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+](C)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC000971364510 676503812 /nfs/dbraw/zinc/50/38/12/676503812.db2.gz ZSEJBHKULSZYHK-TZMCWYRMSA-N 1 2 327.388 2.090 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC000971364510 676503813 /nfs/dbraw/zinc/50/38/13/676503813.db2.gz ZSEJBHKULSZYHK-TZMCWYRMSA-N 1 2 327.388 2.090 20 30 EEEDLO Cc1c[nH]nc1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971516000 676607584 /nfs/dbraw/zinc/60/75/84/676607584.db2.gz FANNHLINCRTVJK-INIZCTEOSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1c[nH]nc1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971516000 676607586 /nfs/dbraw/zinc/60/75/86/676607586.db2.gz FANNHLINCRTVJK-INIZCTEOSA-N 1 2 341.390 2.075 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccon3)C[C@H]21 ZINC001041951672 678021385 /nfs/dbraw/zinc/02/13/85/678021385.db2.gz DQEWIZUUHHSTEM-WCQYABFASA-N 1 2 340.221 2.120 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccon3)C[C@H]21 ZINC001041951672 678021387 /nfs/dbraw/zinc/02/13/87/678021387.db2.gz DQEWIZUUHHSTEM-WCQYABFASA-N 1 2 340.221 2.120 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)[C@H](C)c3nnc(C)o3)C2)cc1 ZINC000972059907 678186009 /nfs/dbraw/zinc/18/60/09/678186009.db2.gz YFEWCOKUECGFCG-DYVFJYSZSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@H](C)c3nnc(C)o3)C2)cc1 ZINC000972059907 678186012 /nfs/dbraw/zinc/18/60/12/678186012.db2.gz YFEWCOKUECGFCG-DYVFJYSZSA-N 1 2 338.411 2.267 20 30 EEEDLO CO[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1)C(C)C ZINC000972243662 678447359 /nfs/dbraw/zinc/44/73/59/678447359.db2.gz XPOFFJMHKCIJNZ-ROUUACIJSA-N 1 2 347.434 2.401 20 30 EEEDLO CO[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1)C(C)C ZINC000972243662 678447362 /nfs/dbraw/zinc/44/73/62/678447362.db2.gz XPOFFJMHKCIJNZ-ROUUACIJSA-N 1 2 347.434 2.401 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+]2CCc2c(F)cccc2F)c1 ZINC001038140584 678492475 /nfs/dbraw/zinc/49/24/75/678492475.db2.gz QFPMGWQSRWBRET-CYBMUJFWSA-N 1 2 344.365 2.211 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+]2CCc2c(F)cccc2F)c1 ZINC001038140584 678492478 /nfs/dbraw/zinc/49/24/78/678492478.db2.gz QFPMGWQSRWBRET-CYBMUJFWSA-N 1 2 344.365 2.211 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4cc(F)ccc43)C2)C1 ZINC000972462507 678794389 /nfs/dbraw/zinc/79/43/89/678794389.db2.gz GGJYMMGCIHQADA-AZUAARDMSA-N 1 2 344.430 2.345 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4cc(F)ccc43)C2)C1 ZINC000972462507 678794392 /nfs/dbraw/zinc/79/43/92/678794392.db2.gz GGJYMMGCIHQADA-AZUAARDMSA-N 1 2 344.430 2.345 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4ccsc4[nH]3)C2)C1 ZINC000972488617 678886172 /nfs/dbraw/zinc/88/61/72/678886172.db2.gz CSRSXJRHOIYXAR-SFHVURJKSA-N 1 2 343.452 2.170 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4ccsc4[nH]3)C2)C1 ZINC000972488617 678886174 /nfs/dbraw/zinc/88/61/74/678886174.db2.gz CSRSXJRHOIYXAR-SFHVURJKSA-N 1 2 343.452 2.170 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001067441596 679109706 /nfs/dbraw/zinc/10/97/06/679109706.db2.gz JSPCMCVOADRNOY-UHFFFAOYSA-N 1 2 334.464 2.252 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001067441596 679109709 /nfs/dbraw/zinc/10/97/09/679109709.db2.gz JSPCMCVOADRNOY-UHFFFAOYSA-N 1 2 334.464 2.252 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)c3c(C)noc3C)C2)C1 ZINC000972515556 679134172 /nfs/dbraw/zinc/13/41/72/679134172.db2.gz YJOCWGROZYUCLO-IBGZPJMESA-N 1 2 347.459 2.058 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)c3c(C)noc3C)C2)C1 ZINC000972515556 679134175 /nfs/dbraw/zinc/13/41/75/679134175.db2.gz YJOCWGROZYUCLO-IBGZPJMESA-N 1 2 347.459 2.058 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nccc4ccccc43)C2)C1 ZINC000972524707 679162048 /nfs/dbraw/zinc/16/20/48/679162048.db2.gz VVPQJTNXNBAXEA-NRFANRHFSA-N 1 2 349.434 2.175 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nccc4ccccc43)C2)C1 ZINC000972524707 679162049 /nfs/dbraw/zinc/16/20/49/679162049.db2.gz VVPQJTNXNBAXEA-NRFANRHFSA-N 1 2 349.434 2.175 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(F)ccc(C)c3F)C2)C1 ZINC000972530591 679190159 /nfs/dbraw/zinc/19/01/59/679190159.db2.gz DQAQQYZAJBHBIN-IBGZPJMESA-N 1 2 348.393 2.213 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(F)ccc(C)c3F)C2)C1 ZINC000972530591 679190161 /nfs/dbraw/zinc/19/01/61/679190161.db2.gz DQAQQYZAJBHBIN-IBGZPJMESA-N 1 2 348.393 2.213 20 30 EEEDLO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000052580718 679254306 /nfs/dbraw/zinc/25/43/06/679254306.db2.gz HIUHJFZBVNLXAT-UHFFFAOYSA-N 1 2 333.413 2.034 20 30 EEEDLO CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000052580718 679254307 /nfs/dbraw/zinc/25/43/07/679254307.db2.gz HIUHJFZBVNLXAT-UHFFFAOYSA-N 1 2 333.413 2.034 20 30 EEEDLO CC1(C)C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1NC(=O)c1cocn1 ZINC000972860714 679822327 /nfs/dbraw/zinc/82/23/27/679822327.db2.gz SJIONLOJSVIRRO-KRWDZBQOSA-N 1 2 341.386 2.306 20 30 EEEDLO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1NC(=O)c1cocn1 ZINC000972860714 679822328 /nfs/dbraw/zinc/82/23/28/679822328.db2.gz SJIONLOJSVIRRO-KRWDZBQOSA-N 1 2 341.386 2.306 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2nccs2)C1 ZINC000972600856 679406577 /nfs/dbraw/zinc/40/65/77/679406577.db2.gz FCHSTOZYTGQJST-SNVBAGLBSA-N 1 2 330.251 2.198 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2nccs2)C1 ZINC000972600856 679406579 /nfs/dbraw/zinc/40/65/79/679406579.db2.gz FCHSTOZYTGQJST-SNVBAGLBSA-N 1 2 330.251 2.198 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1CCOC1 ZINC001006881116 679422246 /nfs/dbraw/zinc/42/22/46/679422246.db2.gz MAXZTYYYSFKJAH-SJLPKXTDSA-N 1 2 346.858 2.309 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1CCOC1 ZINC001006881116 679422249 /nfs/dbraw/zinc/42/22/49/679422249.db2.gz MAXZTYYYSFKJAH-SJLPKXTDSA-N 1 2 346.858 2.309 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](c3cccnc3)C(C)C)C2)C1 ZINC000972613059 679426215 /nfs/dbraw/zinc/42/62/15/679426215.db2.gz ZYRXVUCBHVNWMA-AZUAARDMSA-N 1 2 343.471 2.311 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](c3cccnc3)C(C)C)C2)C1 ZINC000972613059 679426216 /nfs/dbraw/zinc/42/62/16/679426216.db2.gz ZYRXVUCBHVNWMA-AZUAARDMSA-N 1 2 343.471 2.311 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)c3ccco3)C2)C1 ZINC000972641821 679481751 /nfs/dbraw/zinc/48/17/51/679481751.db2.gz YCFMIXJPWFUMJI-VQIMIIECSA-N 1 2 330.428 2.100 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)c3ccco3)C2)C1 ZINC000972641821 679481754 /nfs/dbraw/zinc/48/17/54/679481754.db2.gz YCFMIXJPWFUMJI-VQIMIIECSA-N 1 2 330.428 2.100 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)c3ccco3)C2)C1 ZINC000972641818 679481860 /nfs/dbraw/zinc/48/18/60/679481860.db2.gz YCFMIXJPWFUMJI-APWZRJJASA-N 1 2 330.428 2.100 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)c3ccco3)C2)C1 ZINC000972641818 679481861 /nfs/dbraw/zinc/48/18/61/679481861.db2.gz YCFMIXJPWFUMJI-APWZRJJASA-N 1 2 330.428 2.100 20 30 EEEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)[C@H]1CCOC1 ZINC000972845095 679817880 /nfs/dbraw/zinc/81/78/80/679817880.db2.gz ATEVIKONUQVRLN-YOEHRIQHSA-N 1 2 345.418 2.060 20 30 EEEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)[C@H]1CCOC1 ZINC000972845095 679817881 /nfs/dbraw/zinc/81/78/81/679817881.db2.gz ATEVIKONUQVRLN-YOEHRIQHSA-N 1 2 345.418 2.060 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c([nH]1)CCOC2 ZINC001024475604 679955824 /nfs/dbraw/zinc/95/58/24/679955824.db2.gz SNKZCSMICLYEBT-CQSZACIVSA-N 1 2 337.851 2.424 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2c([nH]1)CCOC2 ZINC001024475604 679955833 /nfs/dbraw/zinc/95/58/33/679955833.db2.gz SNKZCSMICLYEBT-CQSZACIVSA-N 1 2 337.851 2.424 20 30 EEEDLO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1nc2cccnc2s1 ZINC001024482170 679957311 /nfs/dbraw/zinc/95/73/11/679957311.db2.gz AGIKXEJNDNALKJ-ZDUSSCGKSA-N 1 2 328.441 2.299 20 30 EEEDLO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1nc2cccnc2s1 ZINC001024482170 679957306 /nfs/dbraw/zinc/95/73/06/679957306.db2.gz AGIKXEJNDNALKJ-ZDUSSCGKSA-N 1 2 328.441 2.299 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2Cl)C(C)(C)C1 ZINC000974728548 685338808 /nfs/dbraw/zinc/33/88/08/685338808.db2.gz GAVJRKSOJBPQBC-LLVKDONJSA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2Cl)C(C)(C)C1 ZINC000974728548 685338817 /nfs/dbraw/zinc/33/88/17/685338817.db2.gz GAVJRKSOJBPQBC-LLVKDONJSA-N 1 2 331.247 2.266 20 30 EEEDLO C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000982824915 681334999 /nfs/dbraw/zinc/33/49/99/681334999.db2.gz KDOQMWINPDOCKT-WMLDXEAASA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000982824915 681335002 /nfs/dbraw/zinc/33/50/02/681335002.db2.gz KDOQMWINPDOCKT-WMLDXEAASA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000982824916 681335268 /nfs/dbraw/zinc/33/52/68/681335268.db2.gz KDOQMWINPDOCKT-YOEHRIQHSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000982824916 681335271 /nfs/dbraw/zinc/33/52/71/681335271.db2.gz KDOQMWINPDOCKT-YOEHRIQHSA-N 1 2 345.418 2.157 20 30 EEEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)N[C@H]1CCOc2ccccc21 ZINC000177558127 681365552 /nfs/dbraw/zinc/36/55/52/681365552.db2.gz ITTYDFYPAUOFJY-INIZCTEOSA-N 1 2 339.395 2.158 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1CNC(=O)c1ccncn1 ZINC001024718580 681380933 /nfs/dbraw/zinc/38/09/33/681380933.db2.gz WNNWOGUCZXGBPS-KRWDZBQOSA-N 1 2 335.411 2.133 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccncn1 ZINC001024718580 681380939 /nfs/dbraw/zinc/38/09/39/681380939.db2.gz WNNWOGUCZXGBPS-KRWDZBQOSA-N 1 2 335.411 2.133 20 30 EEEDLO Cc1cccc(OCCCNC(=O)CO[NH+]=C(N)c2ccccc2)c1 ZINC000178150698 681718420 /nfs/dbraw/zinc/71/84/20/681718420.db2.gz SZKFUHIDOITLBE-UHFFFAOYSA-N 1 2 341.411 2.217 20 30 EEEDLO Cc1nn(C)cc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001006932508 681960363 /nfs/dbraw/zinc/96/03/63/681960363.db2.gz KJAWFLMHISNOGC-CYBMUJFWSA-N 1 2 343.456 2.056 20 30 EEEDLO Cc1nn(C)cc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001006932508 681960367 /nfs/dbraw/zinc/96/03/67/681960367.db2.gz KJAWFLMHISNOGC-CYBMUJFWSA-N 1 2 343.456 2.056 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@@H]2CCN(c3ccc(C#N)nc3)C2)c(C)[nH+]1 ZINC001058614938 682073067 /nfs/dbraw/zinc/07/30/67/682073067.db2.gz ZMPWIRMVEYPUFP-MRXNPFEDSA-N 1 2 335.411 2.282 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](NC(=O)C(C)(F)F)C1 ZINC001006566597 682688058 /nfs/dbraw/zinc/68/80/58/682688058.db2.gz NRAHEKRZMXVAGU-CQSZACIVSA-N 1 2 337.370 2.303 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](NC(=O)C(C)(F)F)C1 ZINC001006566597 682688061 /nfs/dbraw/zinc/68/80/61/682688061.db2.gz NRAHEKRZMXVAGU-CQSZACIVSA-N 1 2 337.370 2.303 20 30 EEEDLO C=C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1)c1ccccc1 ZINC001019805164 683455825 /nfs/dbraw/zinc/45/58/25/683455825.db2.gz VDGUTTJCQSWVHE-GJZGRUSLSA-N 1 2 328.441 2.198 20 30 EEEDLO CO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029228691 683615793 /nfs/dbraw/zinc/61/57/93/683615793.db2.gz AAPVXELGLCIHMK-OLMNPRSZSA-N 1 2 346.858 2.402 20 30 EEEDLO CO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029228691 683615794 /nfs/dbraw/zinc/61/57/94/683615794.db2.gz AAPVXELGLCIHMK-OLMNPRSZSA-N 1 2 346.858 2.402 20 30 EEEDLO Cc1ncc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)s1 ZINC001038102530 683653958 /nfs/dbraw/zinc/65/39/58/683653958.db2.gz KXTDDMPIZQUHPU-OAHLLOKOSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1ncc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)s1 ZINC001038102530 683653961 /nfs/dbraw/zinc/65/39/61/683653961.db2.gz KXTDDMPIZQUHPU-OAHLLOKOSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1cc(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)no1 ZINC001029248424 683686332 /nfs/dbraw/zinc/68/63/32/683686332.db2.gz VTHLAOCPVJCOPT-BGYRXZFFSA-N 1 2 349.434 2.252 20 30 EEEDLO Cc1cc(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)no1 ZINC001029248424 683686337 /nfs/dbraw/zinc/68/63/37/683686337.db2.gz VTHLAOCPVJCOPT-BGYRXZFFSA-N 1 2 349.434 2.252 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@H](Nc4ccc(C#N)nc4)C3)ccn12 ZINC001059311545 684104412 /nfs/dbraw/zinc/10/44/12/684104412.db2.gz MQDWWJIBFCUNOA-QAQDUYKDSA-N 1 2 346.394 2.282 20 30 EEEDLO COc1ccc(-c2nc(C[NH2+][C@H]3CCCN(O)C3=O)cs2)cc1 ZINC000895166544 684175220 /nfs/dbraw/zinc/17/52/20/684175220.db2.gz RNOBDCSHKPKGQU-AWEZNQCLSA-N 1 2 333.413 2.289 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H]2C[C@H](NC(=O)c3cccc4[nH+]ccn43)C2)n1 ZINC001059349142 684303015 /nfs/dbraw/zinc/30/30/15/684303015.db2.gz TUZLNPPUQMMNLI-SHTZXODSSA-N 1 2 346.394 2.282 20 30 EEEDLO CO[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1)C(C)C ZINC001029457129 684730931 /nfs/dbraw/zinc/73/09/31/684730931.db2.gz FYPMSMJHTLVDHI-JKIFEVAISA-N 1 2 347.484 2.466 20 30 EEEDLO CO[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1)C(C)C ZINC001029457129 684730932 /nfs/dbraw/zinc/73/09/32/684730932.db2.gz FYPMSMJHTLVDHI-JKIFEVAISA-N 1 2 347.484 2.466 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)C(C)(C)C1 ZINC000974582334 685096396 /nfs/dbraw/zinc/09/63/96/685096396.db2.gz KWHZPEVQIFEFTC-DOMZBBRYSA-N 1 2 336.867 2.409 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)C(C)(C)C1 ZINC000974582334 685096401 /nfs/dbraw/zinc/09/64/01/685096401.db2.gz KWHZPEVQIFEFTC-DOMZBBRYSA-N 1 2 336.867 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cncc3[nH]cnc32)C(C)(C)C1 ZINC000974621873 685137494 /nfs/dbraw/zinc/13/74/94/685137494.db2.gz PMSMIHMTOSOAIA-CYBMUJFWSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cncc3[nH]cnc32)C(C)(C)C1 ZINC000974621873 685137496 /nfs/dbraw/zinc/13/74/96/685137496.db2.gz PMSMIHMTOSOAIA-CYBMUJFWSA-N 1 2 333.823 2.151 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1F ZINC001038133891 694001190 /nfs/dbraw/zinc/00/11/90/694001190.db2.gz PFGVUASQAOJDBM-LISAXSMJSA-N 1 2 327.403 2.434 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1F ZINC001038133891 694001194 /nfs/dbraw/zinc/00/11/94/694001194.db2.gz PFGVUASQAOJDBM-LISAXSMJSA-N 1 2 327.403 2.434 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000305056787 687037949 /nfs/dbraw/zinc/03/79/49/687037949.db2.gz CUHIDDHTMRXSHU-IBGZPJMESA-N 1 2 333.391 2.143 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000305056787 687037953 /nfs/dbraw/zinc/03/79/53/687037953.db2.gz CUHIDDHTMRXSHU-IBGZPJMESA-N 1 2 333.391 2.143 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC000975983561 687239468 /nfs/dbraw/zinc/23/94/68/687239468.db2.gz KWXOMQFNMAXLAG-URLQWDBASA-N 1 2 344.459 2.004 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCCCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000987124135 689389440 /nfs/dbraw/zinc/38/94/40/689389440.db2.gz AMYGBXUUSAIBLW-HNNXBMFYSA-N 1 2 344.459 2.196 20 30 EEEDLO C=C1CCC(C(=O)N(C)C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000988389187 690580576 /nfs/dbraw/zinc/58/05/76/690580576.db2.gz RGUOCWJQFZGVSK-OAHLLOKOSA-N 1 2 344.459 2.006 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]Cc3nc(CC)no3)C[C@@H]2C)cc1 ZINC000989280344 691572794 /nfs/dbraw/zinc/57/27/94/691572794.db2.gz GUZPMBQQTNLXHD-BBRMVZONSA-N 1 2 338.411 2.006 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC(OC)C2)C1 ZINC001027456422 692165601 /nfs/dbraw/zinc/16/56/01/692165601.db2.gz ZCFIOAWFDJXHNV-ROKHWSDSSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C2CC(OC)C2)C1 ZINC001027456422 692165604 /nfs/dbraw/zinc/16/56/04/692165604.db2.gz ZCFIOAWFDJXHNV-ROKHWSDSSA-N 1 2 345.281 2.243 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2[N@H+](Cc2nccs2)CC3)[nH]1 ZINC000990275775 692801727 /nfs/dbraw/zinc/80/17/27/692801727.db2.gz IZTPADXRJXDKFE-WMLDXEAASA-N 1 2 341.440 2.270 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](Cc2nccs2)CC3)[nH]1 ZINC000990275775 692801730 /nfs/dbraw/zinc/80/17/30/692801730.db2.gz IZTPADXRJXDKFE-WMLDXEAASA-N 1 2 341.440 2.270 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2c(C)nn3cccnc23)C(C)(C)C1 ZINC000977608168 692818476 /nfs/dbraw/zinc/81/84/76/692818476.db2.gz YPDGWYCZXZIRFC-CYBMUJFWSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2c(C)nn3cccnc23)C(C)(C)C1 ZINC000977608168 692818480 /nfs/dbraw/zinc/81/84/80/692818480.db2.gz YPDGWYCZXZIRFC-CYBMUJFWSA-N 1 2 347.850 2.230 20 30 EEEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2n[nH]nc2-c2ccccc2)C(C)(C)C1 ZINC000977625275 692862210 /nfs/dbraw/zinc/86/22/10/692862210.db2.gz CIMVMRYOJNGEHU-CQSZACIVSA-N 1 2 325.416 2.098 20 30 EEEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2n[nH]nc2-c2ccccc2)C(C)(C)C1 ZINC000977625275 692862216 /nfs/dbraw/zinc/86/22/16/692862216.db2.gz CIMVMRYOJNGEHU-CQSZACIVSA-N 1 2 325.416 2.098 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060041564 693006549 /nfs/dbraw/zinc/00/65/49/693006549.db2.gz AGWOLJHWUCGCIG-GOEBONIOSA-N 1 2 346.475 2.218 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060042026 693008589 /nfs/dbraw/zinc/00/85/89/693008589.db2.gz KNUNWUCDQDJWOV-OAHLLOKOSA-N 1 2 346.475 2.218 20 30 EEEDLO C=CCSc1ccccc1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899062757 693591022 /nfs/dbraw/zinc/59/10/22/693591022.db2.gz YYKDTANOZDAEAB-UHFFFAOYSA-N 1 2 348.468 2.143 20 30 EEEDLO C=CCSc1ccccc1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899062757 693591027 /nfs/dbraw/zinc/59/10/27/693591027.db2.gz YYKDTANOZDAEAB-UHFFFAOYSA-N 1 2 348.468 2.143 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cnn2ccccc12 ZINC001032057449 1191985140 /nfs/dbraw/zinc/98/51/40/1191985140.db2.gz MMVSCTNZBDTROH-UHFFFAOYSA-N 1 2 344.418 2.048 20 30 EEEDLO C=CCC(F)(F)C(=O)N1CC2(C1)C[NH+](Cc1scnc1C)C2 ZINC001269001444 1183887598 /nfs/dbraw/zinc/88/75/98/1183887598.db2.gz AFKJBHBIGSMAIN-UHFFFAOYSA-N 1 2 327.400 2.307 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC001269121296 1183978798 /nfs/dbraw/zinc/97/87/98/1183978798.db2.gz AHEGDIXFUMHXMN-OAHLLOKOSA-N 1 2 329.444 2.438 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001269121296 1183978803 /nfs/dbraw/zinc/97/88/03/1183978803.db2.gz AHEGDIXFUMHXMN-OAHLLOKOSA-N 1 2 329.444 2.438 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001269387163 1184225635 /nfs/dbraw/zinc/22/56/35/1184225635.db2.gz XRGOSTYPQIFSJG-IBGZPJMESA-N 1 2 338.411 2.346 20 30 EEEDLO C=C(C)CN1CC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1=O ZINC001269388006 1184226447 /nfs/dbraw/zinc/22/64/47/1184226447.db2.gz VRMDOFFBBFWODJ-IBGZPJMESA-N 1 2 338.411 2.204 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)c4sccc4F)C3)C2)cc1C#N ZINC001270167482 1184895713 /nfs/dbraw/zinc/89/57/13/1184895713.db2.gz NFGQSDZPEHETLY-UHFFFAOYSA-N 1 2 344.415 2.055 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1cccc(Cl)n1 ZINC001088529348 1187169849 /nfs/dbraw/zinc/16/98/49/1187169849.db2.gz RJXKPTQLLWNHNN-RISCZKNCSA-N 1 2 343.818 2.328 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1cccc(Cl)n1 ZINC001088529348 1187169850 /nfs/dbraw/zinc/16/98/50/1187169850.db2.gz RJXKPTQLLWNHNN-RISCZKNCSA-N 1 2 343.818 2.328 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)N(C(CC)CC)C1 ZINC001482601710 1187341793 /nfs/dbraw/zinc/34/17/93/1187341793.db2.gz XFIQLAHNXCIIJU-CQSZACIVSA-N 1 2 343.899 2.166 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC(=O)N(C(CC)CC)C1 ZINC001482601710 1187341795 /nfs/dbraw/zinc/34/17/95/1187341795.db2.gz XFIQLAHNXCIIJU-CQSZACIVSA-N 1 2 343.899 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCCN1C(=O)CCC ZINC001482650111 1187480581 /nfs/dbraw/zinc/48/05/81/1187480581.db2.gz OAUJNSNWBAZFBX-OAHLLOKOSA-N 1 2 343.899 2.310 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCCN1C(=O)CCC ZINC001482650111 1187480584 /nfs/dbraw/zinc/48/05/84/1187480584.db2.gz OAUJNSNWBAZFBX-OAHLLOKOSA-N 1 2 343.899 2.310 20 30 EEEDLO CC/C=C(\C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001211964872 1187494770 /nfs/dbraw/zinc/49/47/70/1187494770.db2.gz YXKMAJONGTYOEB-SUKHSIIVSA-N 1 2 345.418 2.369 20 30 EEEDLO CC/C=C(\C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001211964872 1187494772 /nfs/dbraw/zinc/49/47/72/1187494772.db2.gz YXKMAJONGTYOEB-SUKHSIIVSA-N 1 2 345.418 2.369 20 30 EEEDLO C=CCCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001077117880 1189344757 /nfs/dbraw/zinc/34/47/57/1189344757.db2.gz SZIFRUUALIRBJW-DZGCQCFKSA-N 1 2 346.475 2.190 20 30 EEEDLO C=CCCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001077117880 1189344760 /nfs/dbraw/zinc/34/47/60/1189344760.db2.gz SZIFRUUALIRBJW-DZGCQCFKSA-N 1 2 346.475 2.190 20 30 EEEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)ncc1F)CC2 ZINC001272621318 1190935037 /nfs/dbraw/zinc/93/50/37/1190935037.db2.gz KVQSCWVXIKITPL-CYBMUJFWSA-N 1 2 335.810 2.226 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC(=O)NCC ZINC001483812213 1191056881 /nfs/dbraw/zinc/05/68/81/1191056881.db2.gz MBJHSEGQNMCUAO-CABCVRRESA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC(=O)NCC ZINC001483812213 1191056883 /nfs/dbraw/zinc/05/68/83/1191056883.db2.gz MBJHSEGQNMCUAO-CABCVRRESA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1CCOCC1 ZINC001485048072 1191630210 /nfs/dbraw/zinc/63/02/10/1191630210.db2.gz SJPXYECWNIIYLY-AWEZNQCLSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CCOCC1 ZINC001485048072 1191630212 /nfs/dbraw/zinc/63/02/12/1191630212.db2.gz SJPXYECWNIIYLY-AWEZNQCLSA-N 1 2 345.281 2.244 20 30 EEEDLO CN(C(=O)c1cocn1)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001005162742 1194640534 /nfs/dbraw/zinc/64/05/34/1194640534.db2.gz MRUMVESOJOGNBO-UHFFFAOYSA-N 1 2 342.374 2.422 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncc(CC)o2)C1 ZINC001033496955 1194648200 /nfs/dbraw/zinc/64/82/00/1194648200.db2.gz JFUYLDSTKBWIMB-HFTRVMKXSA-N 1 2 347.459 2.251 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ncc(CC)o2)C1 ZINC001033496955 1194648203 /nfs/dbraw/zinc/64/82/03/1194648203.db2.gz JFUYLDSTKBWIMB-HFTRVMKXSA-N 1 2 347.459 2.251 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCCO2)CC1 ZINC001005260143 1195002018 /nfs/dbraw/zinc/00/20/18/1195002018.db2.gz DBNQIVKMOFXXCM-CQSZACIVSA-N 1 2 345.281 2.387 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001014731011 1224255274 /nfs/dbraw/zinc/25/52/74/1224255274.db2.gz HGXFMLCRLPYDAI-OAHLLOKOSA-N 1 2 328.416 2.283 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001014731011 1224255281 /nfs/dbraw/zinc/25/52/81/1224255281.db2.gz HGXFMLCRLPYDAI-OAHLLOKOSA-N 1 2 328.416 2.283 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001033670433 1195037944 /nfs/dbraw/zinc/03/79/44/1195037944.db2.gz BXVQGZFCLWTVAU-HIFRSBDPSA-N 1 2 338.810 2.414 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001033670433 1195037950 /nfs/dbraw/zinc/03/79/50/1195037950.db2.gz BXVQGZFCLWTVAU-HIFRSBDPSA-N 1 2 338.810 2.414 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)OCCO3)C1 ZINC001033658627 1195043529 /nfs/dbraw/zinc/04/35/29/1195043529.db2.gz HTBGAGNGFLDPSC-AWEZNQCLSA-N 1 2 336.819 2.357 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)OCCO3)C1 ZINC001033658627 1195043533 /nfs/dbraw/zinc/04/35/33/1195043533.db2.gz HTBGAGNGFLDPSC-AWEZNQCLSA-N 1 2 336.819 2.357 20 30 EEEDLO C=CCCn1cc(C(=O)N(CC)[C@@H]2CC[N@H+](CC(=C)Cl)C2)nn1 ZINC001033980589 1195599342 /nfs/dbraw/zinc/59/93/42/1195599342.db2.gz VWNLBMBWLUMAKR-CQSZACIVSA-N 1 2 337.855 2.143 20 30 EEEDLO C=CCCn1cc(C(=O)N(CC)[C@@H]2CC[N@@H+](CC(=C)Cl)C2)nn1 ZINC001033980589 1195599344 /nfs/dbraw/zinc/59/93/44/1195599344.db2.gz VWNLBMBWLUMAKR-CQSZACIVSA-N 1 2 337.855 2.143 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cnc(C4CC4)o3)C2)s1 ZINC001014762667 1224306527 /nfs/dbraw/zinc/30/65/27/1224306527.db2.gz XETZRDXXEOZDPV-LBPRGKRZSA-N 1 2 342.424 2.489 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cnc(C4CC4)o3)C2)s1 ZINC001014762667 1224306532 /nfs/dbraw/zinc/30/65/32/1224306532.db2.gz XETZRDXXEOZDPV-LBPRGKRZSA-N 1 2 342.424 2.489 20 30 EEEDLO C[C@H](c1ncccn1)[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001034165832 1195885249 /nfs/dbraw/zinc/88/52/49/1195885249.db2.gz RALKEDWNUXHJMP-UKRRQHHQSA-N 1 2 338.415 2.022 20 30 EEEDLO C[C@H](c1ncccn1)[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001034165832 1195885255 /nfs/dbraw/zinc/88/52/55/1195885255.db2.gz RALKEDWNUXHJMP-UKRRQHHQSA-N 1 2 338.415 2.022 20 30 EEEDLO Cc1csc(C[N@@H+]2CCCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001034172717 1195897677 /nfs/dbraw/zinc/89/76/77/1195897677.db2.gz NEFMAMWZBUVJQZ-CQSZACIVSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1csc(C[N@H+]2CCCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001034172717 1195897682 /nfs/dbraw/zinc/89/76/82/1195897682.db2.gz NEFMAMWZBUVJQZ-CQSZACIVSA-N 1 2 343.456 2.436 20 30 EEEDLO C[C@H]1[C@@H](Nc2ccc(C#N)cn2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001090220575 1196360162 /nfs/dbraw/zinc/36/01/62/1196360162.db2.gz RIGYPFPGQLTVAA-HOCLYGCPSA-N 1 2 338.415 2.031 20 30 EEEDLO C#CCOCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001090231847 1196495891 /nfs/dbraw/zinc/49/58/91/1196495891.db2.gz WZWARQKFXHJNBD-HOCLYGCPSA-N 1 2 342.443 2.104 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H](C)CO2)CC1 ZINC001005737014 1196778707 /nfs/dbraw/zinc/77/87/07/1196778707.db2.gz WDNCGXUBVYHYBV-FZMZJTMJSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ncc(C)s1)C2 ZINC001273222459 1197565627 /nfs/dbraw/zinc/56/56/27/1197565627.db2.gz TZSSSCIICVMYEF-KRWDZBQOSA-N 1 2 335.473 2.079 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ncc(C)s1)C2 ZINC001273222459 1197565629 /nfs/dbraw/zinc/56/56/29/1197565629.db2.gz TZSSSCIICVMYEF-KRWDZBQOSA-N 1 2 335.473 2.079 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)C[C@H](C)OC)C2)C1 ZINC001410189031 1197594129 /nfs/dbraw/zinc/59/41/29/1197594129.db2.gz XFCPXNXWJBCAJH-ZDUSSCGKSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)C[C@H](C)OC)C2)C1 ZINC001410189031 1197594131 /nfs/dbraw/zinc/59/41/31/1197594131.db2.gz XFCPXNXWJBCAJH-ZDUSSCGKSA-N 1 2 345.281 2.244 20 30 EEEDLO C=CCN1CC2(C[NH+](Cc3c[nH]c4c3cccc4CC)C2)OCC1=O ZINC001273321183 1198111561 /nfs/dbraw/zinc/11/15/61/1198111561.db2.gz QPVQJFJWJDTPHQ-UHFFFAOYSA-N 1 2 339.439 2.330 20 30 EEEDLO C#CCN1CC2(C[NH+](Cc3sc4ccccc4c3C)C2)OCC1=O ZINC001273333094 1198218453 /nfs/dbraw/zinc/21/84/53/1198218453.db2.gz WIKGUYRIKXIIMN-UHFFFAOYSA-N 1 2 340.448 2.256 20 30 EEEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Cl)nn1)CC2 ZINC001273346346 1198262142 /nfs/dbraw/zinc/26/21/42/1198262142.db2.gz HOTIYCCKUKZEON-CQSZACIVSA-N 1 2 334.851 2.424 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC3(F)F)C2)c(F)c1 ZINC001014889953 1224499702 /nfs/dbraw/zinc/49/97/02/1224499702.db2.gz LIJCOEKSUQBYFZ-UONOGXRCSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC3(F)F)C2)c(F)c1 ZINC001014889953 1224499706 /nfs/dbraw/zinc/49/97/06/1224499706.db2.gz LIJCOEKSUQBYFZ-UONOGXRCSA-N 1 2 337.345 2.433 20 30 EEEDLO C[C@@H](O[NH+]=C(N)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020887374 1199169071 /nfs/dbraw/zinc/16/90/71/1199169071.db2.gz GGWONKFPGYOYFW-LLVKDONJSA-N 1 2 328.328 2.259 20 30 EEEDLO C#CCCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nnsc1Cl ZINC001134200455 1199397433 /nfs/dbraw/zinc/39/74/33/1199397433.db2.gz FEXJWNJOACIQOK-GHMZBOCLSA-N 1 2 328.869 2.368 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2occc2C(C)C)CC[C@@H]1C ZINC001132236017 1199483567 /nfs/dbraw/zinc/48/35/67/1199483567.db2.gz WYKGRAJGNGKYRQ-GJZGRUSLSA-N 1 2 347.459 2.288 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2occc2C(C)C)CC[C@@H]1C ZINC001132236017 1199483569 /nfs/dbraw/zinc/48/35/69/1199483569.db2.gz WYKGRAJGNGKYRQ-GJZGRUSLSA-N 1 2 347.459 2.288 20 30 EEEDLO COc1cncc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)c1C ZINC001014936773 1224557691 /nfs/dbraw/zinc/55/76/91/1224557691.db2.gz YNVNUXSXJADXEK-GOSISDBHSA-N 1 2 349.434 2.254 20 30 EEEDLO COc1cncc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1C ZINC001014936773 1224557696 /nfs/dbraw/zinc/55/76/96/1224557696.db2.gz YNVNUXSXJADXEK-GOSISDBHSA-N 1 2 349.434 2.254 20 30 EEEDLO C#CC[N@@H+](Cc1ccc(S(N)(=O)=O)o1)[C@H]1CCc2ccccc21 ZINC000876513768 1199652748 /nfs/dbraw/zinc/65/27/48/1199652748.db2.gz PKLSSWOABPAJDS-INIZCTEOSA-N 1 2 330.409 2.050 20 30 EEEDLO C#CC[N@H+](Cc1ccc(S(N)(=O)=O)o1)[C@H]1CCc2ccccc21 ZINC000876513768 1199652749 /nfs/dbraw/zinc/65/27/49/1199652749.db2.gz PKLSSWOABPAJDS-INIZCTEOSA-N 1 2 330.409 2.050 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]Cc1nc(Cc2ccccc2)no1 ZINC001132667235 1199915833 /nfs/dbraw/zinc/91/58/33/1199915833.db2.gz HQPURBBTCDCTSP-OAHLLOKOSA-N 1 2 342.443 2.469 20 30 EEEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]NC[C@H]1CCSC1 ZINC000811660544 1200192728 /nfs/dbraw/zinc/19/27/28/1200192728.db2.gz PDONOOLCNGFYDQ-GFCCVEGCSA-N 1 2 341.440 2.161 20 30 EEEDLO COc1cccc([C@@H]2CN(C(=O)c3ccc(F)c(C#N)c3)CC[NH2+]2)c1 ZINC000870151608 1200513381 /nfs/dbraw/zinc/51/33/81/1200513381.db2.gz AXERCFCVFKGYRL-SFHVURJKSA-N 1 2 339.370 2.493 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1)c1ccccc1 ZINC000878544857 1200533005 /nfs/dbraw/zinc/53/30/05/1200533005.db2.gz NMPLQSCBGHZSKG-LSTHTHJFSA-N 1 2 342.439 2.307 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1)c1ccccc1 ZINC000878544857 1200533010 /nfs/dbraw/zinc/53/30/10/1200533010.db2.gz NMPLQSCBGHZSKG-LSTHTHJFSA-N 1 2 342.439 2.307 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc(C3CC3)cn2)C1 ZINC001015015996 1224647349 /nfs/dbraw/zinc/64/73/49/1224647349.db2.gz VHDPQBSUGATERT-LJQANCHMSA-N 1 2 349.438 2.023 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc(C3CC3)cn2)C1 ZINC001015015996 1224647353 /nfs/dbraw/zinc/64/73/53/1224647353.db2.gz 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CC(C)[C@@H](C(=O)Nc1cccc(CC#N)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000882477039 1201877650 /nfs/dbraw/zinc/87/76/50/1201877650.db2.gz LTRHMGGHYDJEQS-VBQJREDUSA-N 1 2 330.432 2.220 20 30 EEEDLO CC(C)[C@@H](C(=O)Nc1cccc(CC#N)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000882477039 1201877652 /nfs/dbraw/zinc/87/76/52/1201877652.db2.gz LTRHMGGHYDJEQS-VBQJREDUSA-N 1 2 330.432 2.220 20 30 EEEDLO N#CC1CCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC1 ZINC000868950137 1201910796 /nfs/dbraw/zinc/91/07/96/1201910796.db2.gz FPBQULVFAWZKRA-UHFFFAOYSA-N 1 2 345.472 2.080 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000826563437 1204261465 /nfs/dbraw/zinc/26/14/65/1204261465.db2.gz FZUVCEJTOOBTQR-PKOBYXMFSA-N 1 2 346.471 2.293 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000826563437 1204261467 /nfs/dbraw/zinc/26/14/67/1204261467.db2.gz FZUVCEJTOOBTQR-PKOBYXMFSA-N 1 2 346.471 2.293 20 30 EEEDLO N#Cc1ccnc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)c1 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ZINC001015743836 1225616905 /nfs/dbraw/zinc/61/69/05/1225616905.db2.gz OIBBEAZCGJDHNS-IBGZPJMESA-N 1 2 347.418 2.497 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC000959946379 1216250653 /nfs/dbraw/zinc/25/06/53/1216250653.db2.gz NWTYZORUYPMEDR-ZTIMZJHKSA-N 1 2 345.270 2.333 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC000959946379 1216250654 /nfs/dbraw/zinc/25/06/54/1216250654.db2.gz NWTYZORUYPMEDR-ZTIMZJHKSA-N 1 2 345.270 2.333 20 30 EEEDLO Cc1nc(C[N@H+](C)C[C@@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)oc1C ZINC000960543538 1216672535 /nfs/dbraw/zinc/67/25/35/1216672535.db2.gz ZWYDRMJUHVRFMP-HNNXBMFYSA-N 1 2 341.415 2.228 20 30 EEEDLO Cc1nc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)oc1C ZINC000960543538 1216672539 /nfs/dbraw/zinc/67/25/39/1216672539.db2.gz ZWYDRMJUHVRFMP-HNNXBMFYSA-N 1 2 341.415 2.228 20 30 EEEDLO Cc1cnc(C[N@H+](C)C[C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)s1 ZINC000960573219 1216696497 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ZINC001010420137 1223712923 /nfs/dbraw/zinc/71/29/23/1223712923.db2.gz WEEXOONCQXMZHZ-AWEZNQCLSA-N 1 2 342.349 2.236 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)ns1 ZINC001010775276 1223901158 /nfs/dbraw/zinc/90/11/58/1223901158.db2.gz XHVDMKMMHKWNNP-INIZCTEOSA-N 1 2 325.437 2.307 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)ns1 ZINC001010775276 1223901161 /nfs/dbraw/zinc/90/11/61/1223901161.db2.gz XHVDMKMMHKWNNP-INIZCTEOSA-N 1 2 325.437 2.307 20 30 EEEDLO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)C1CCOCC1 ZINC001016428130 1226468082 /nfs/dbraw/zinc/46/80/82/1226468082.db2.gz SEHVGYSLNIUUFI-BEFAXECRSA-N 1 2 341.455 2.311 20 30 EEEDLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1)C1CCOCC1 ZINC001016428130 1226468085 /nfs/dbraw/zinc/46/80/85/1226468085.db2.gz SEHVGYSLNIUUFI-BEFAXECRSA-N 1 2 341.455 2.311 20 30 EEEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)N(C)c2ccccc2)cc1 ZINC000113249072 1226727892 /nfs/dbraw/zinc/72/78/92/1226727892.db2.gz IAIJQEJIXCWTSZ-CYBMUJFWSA-N 1 2 327.384 2.384 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccn(C(F)F)n1 ZINC001014572662 1226792449 /nfs/dbraw/zinc/79/24/49/1226792449.db2.gz QHIJBPLNKSLNGP-OAHLLOKOSA-N 1 2 344.365 2.134 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccn(C(F)F)n1 ZINC001014572662 1226792453 /nfs/dbraw/zinc/79/24/53/1226792453.db2.gz QHIJBPLNKSLNGP-OAHLLOKOSA-N 1 2 344.365 2.134 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC23CC[NH+](Cc2nncs2)CC3)C1 ZINC001016816774 1226900848 /nfs/dbraw/zinc/90/08/48/1226900848.db2.gz IBZJZLHRWPPQOB-ZDUSSCGKSA-N 1 2 332.473 2.365 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2CCCCC2)C1=O ZINC001017310794 1227322872 /nfs/dbraw/zinc/32/28/72/1227322872.db2.gz CVRHXADKAGYSOO-FGTMMUONSA-N 1 2 345.487 2.029 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2CCCCC2)C1=O ZINC001017310794 1227322875 /nfs/dbraw/zinc/32/28/75/1227322875.db2.gz CVRHXADKAGYSOO-FGTMMUONSA-N 1 2 345.487 2.029 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC2CCCC2)C1=O ZINC001017312719 1227324318 /nfs/dbraw/zinc/32/43/18/1227324318.db2.gz RDBQACBPTZGKLQ-FGTMMUONSA-N 1 2 345.487 2.029 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC2CCCC2)C1=O ZINC001017312719 1227324323 /nfs/dbraw/zinc/32/43/23/1227324323.db2.gz RDBQACBPTZGKLQ-FGTMMUONSA-N 1 2 345.487 2.029 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(C)c(Cl)cn1 ZINC001017657837 1227610424 /nfs/dbraw/zinc/61/04/24/1227610424.db2.gz FYGDZGJMRDNBSU-IYBDPMFKSA-N 1 2 331.847 2.284 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(C)c(Cl)cn1 ZINC001017657837 1227610429 /nfs/dbraw/zinc/61/04/29/1227610429.db2.gz FYGDZGJMRDNBSU-IYBDPMFKSA-N 1 2 331.847 2.284 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(C(C)C)cc1 ZINC001017715280 1227668905 /nfs/dbraw/zinc/66/89/05/1227668905.db2.gz XHYHXQAULGKAMS-HDICACEKSA-N 1 2 326.440 2.497 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(C(C)C)cc1 ZINC001017715280 1227668907 /nfs/dbraw/zinc/66/89/07/1227668907.db2.gz XHYHXQAULGKAMS-HDICACEKSA-N 1 2 326.440 2.497 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(CF)CC2)cc1 ZINC001017932544 1227885268 /nfs/dbraw/zinc/88/52/68/1227885268.db2.gz LGYNDJKKVGBIGD-CALCHBBNSA-N 1 2 327.403 2.483 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(CF)CC2)cc1 ZINC001017932544 1227885272 /nfs/dbraw/zinc/88/52/72/1227885272.db2.gz LGYNDJKKVGBIGD-CALCHBBNSA-N 1 2 327.403 2.483 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCc2cccnc21 ZINC001038638783 1228391041 /nfs/dbraw/zinc/39/10/41/1228391041.db2.gz QKDQEOMYVIAPRU-UXHICEINSA-N 1 2 345.446 2.354 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCc2cccnc21 ZINC001038638783 1228391043 /nfs/dbraw/zinc/39/10/43/1228391043.db2.gz QKDQEOMYVIAPRU-UXHICEINSA-N 1 2 345.446 2.354 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nc(COC)no3)C2)CC1 ZINC001019330936 1228997097 /nfs/dbraw/zinc/99/70/97/1228997097.db2.gz FECUODAYOWNUEJ-ZFWWWQNUSA-N 1 2 348.447 2.214 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc[nH]c2C)cc1C#N ZINC001038146369 1229665756 /nfs/dbraw/zinc/66/57/56/1229665756.db2.gz YQGOUFWQGKSBAG-INIZCTEOSA-N 1 2 338.411 2.208 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc[nH]c2C)cc1C#N ZINC001038146369 1229665757 /nfs/dbraw/zinc/66/57/57/1229665757.db2.gz YQGOUFWQGKSBAG-INIZCTEOSA-N 1 2 338.411 2.208 20 30 EEEDLO Cc1nscc1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038181893 1229679389 /nfs/dbraw/zinc/67/93/89/1229679389.db2.gz VKJQDISYBJPBIJ-OAHLLOKOSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1nscc1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038181893 1229679391 /nfs/dbraw/zinc/67/93/91/1229679391.db2.gz VKJQDISYBJPBIJ-OAHLLOKOSA-N 1 2 326.425 2.328 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccnn2C2CCC2)c1 ZINC001038247653 1229702072 /nfs/dbraw/zinc/70/20/72/1229702072.db2.gz JMNJTMNCKMAZSU-GOSISDBHSA-N 1 2 349.438 2.484 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccnn2C2CCC2)c1 ZINC001038247653 1229702073 /nfs/dbraw/zinc/70/20/73/1229702073.db2.gz JMNJTMNCKMAZSU-GOSISDBHSA-N 1 2 349.438 2.484 20 30 EEEDLO C=C(Br)CN1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038414326 1229798052 /nfs/dbraw/zinc/79/80/52/1229798052.db2.gz CGRIPFKQLWOXNN-LBPRGKRZSA-N 1 2 349.232 2.276 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccn3ccnc3c2)c1 ZINC001038505185 1229877327 /nfs/dbraw/zinc/87/73/27/1229877327.db2.gz IFAGPZSZODJNQP-SFHVURJKSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccn3ccnc3c2)c1 ZINC001038505185 1229877333 /nfs/dbraw/zinc/87/73/33/1229877333.db2.gz IFAGPZSZODJNQP-SFHVURJKSA-N 1 2 345.406 2.210 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)c1cccc2n[nH]cc21 ZINC001038580330 1229926795 /nfs/dbraw/zinc/92/67/95/1229926795.db2.gz YDAYOAOGHYIEHA-QGZVFWFLSA-N 1 2 344.418 2.419 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)c1cccc2n[nH]cc21 ZINC001038580330 1229926798 /nfs/dbraw/zinc/92/67/98/1229926798.db2.gz YDAYOAOGHYIEHA-QGZVFWFLSA-N 1 2 344.418 2.419 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ncoc2C2CC2)cc1 ZINC001038881825 1230131320 /nfs/dbraw/zinc/13/13/20/1230131320.db2.gz JKOCEMHZTPVNCL-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ncoc2C2CC2)cc1 ZINC001038881825 1230131321 /nfs/dbraw/zinc/13/13/21/1230131321.db2.gz JKOCEMHZTPVNCL-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2c[nH]cc2C)cc1C#N ZINC001039009409 1230232584 /nfs/dbraw/zinc/23/25/84/1230232584.db2.gz RXLKJKUXCWLBQQ-MRXNPFEDSA-N 1 2 338.411 2.208 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2c[nH]cc2C)cc1C#N ZINC001039009409 1230232586 /nfs/dbraw/zinc/23/25/86/1230232586.db2.gz RXLKJKUXCWLBQQ-MRXNPFEDSA-N 1 2 338.411 2.208 20 30 EEEDLO CN(C)c1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)nc1 ZINC001039059043 1230271062 /nfs/dbraw/zinc/27/10/62/1230271062.db2.gz AQTJRBHFJUTLRA-SFHVURJKSA-N 1 2 349.438 2.024 20 30 EEEDLO CN(C)c1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)nc1 ZINC001039059043 1230271065 /nfs/dbraw/zinc/27/10/65/1230271065.db2.gz AQTJRBHFJUTLRA-SFHVURJKSA-N 1 2 349.438 2.024 20 30 EEEDLO C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001039228156 1230460483 /nfs/dbraw/zinc/46/04/83/1230460483.db2.gz DYNJVDIKYWIAAY-SWLSCSKDSA-N 1 2 336.386 2.297 20 30 EEEDLO C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001039228156 1230460485 /nfs/dbraw/zinc/46/04/85/1230460485.db2.gz DYNJVDIKYWIAAY-SWLSCSKDSA-N 1 2 336.386 2.297 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2nncn2c1 ZINC001039452951 1230619793 /nfs/dbraw/zinc/61/97/93/1230619793.db2.gz YVLGRNMEBUHACM-CABCVRRESA-N 1 2 345.834 2.161 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2nncn2c1 ZINC001039452951 1230619796 /nfs/dbraw/zinc/61/97/96/1230619796.db2.gz YVLGRNMEBUHACM-CABCVRRESA-N 1 2 345.834 2.161 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccnc2)cn1 ZINC001039978895 1230946621 /nfs/dbraw/zinc/94/66/21/1230946621.db2.gz GPJJRFOZUWOUBG-BGYRXZFFSA-N 1 2 346.434 2.337 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccnc2)cn1 ZINC001039978895 1230946622 /nfs/dbraw/zinc/94/66/22/1230946622.db2.gz GPJJRFOZUWOUBG-BGYRXZFFSA-N 1 2 346.434 2.337 20 30 EEEDLO Cc1nc(NC[C@]2(C)CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)cc[nH+]1 ZINC001040315143 1231165832 /nfs/dbraw/zinc/16/58/32/1231165832.db2.gz OSPSFXDOOQQTIR-KZULUSFZSA-N 1 2 338.415 2.195 20 30 EEEDLO Cc1nc(N[C@@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C23CCC3)cc[nH+]1 ZINC001041573086 1231602516 /nfs/dbraw/zinc/60/25/16/1231602516.db2.gz FTMUGWPUHGJCMD-CABCVRRESA-N 1 2 336.399 2.138 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3coc(OCC)n3)C[C@H]21 ZINC001042134764 1231910608 /nfs/dbraw/zinc/91/06/08/1231910608.db2.gz QJDHWGUZHZDWKE-GXTWGEPZSA-N 1 2 339.823 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3coc(OCC)n3)C[C@H]21 ZINC001042134764 1231910612 /nfs/dbraw/zinc/91/06/12/1231910612.db2.gz QJDHWGUZHZDWKE-GXTWGEPZSA-N 1 2 339.823 2.362 20 30 EEEDLO C[C@H](C(=O)N(C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1)C1CC1 ZINC001042584098 1232112795 /nfs/dbraw/zinc/11/27/95/1232112795.db2.gz VNKIRXNCWVIQTG-AWEZNQCLSA-N 1 2 327.428 2.278 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](Cc2ccc(CF)cc2)C1 ZINC001043897139 1232618019 /nfs/dbraw/zinc/61/80/19/1232618019.db2.gz XPCRTINJBDSDOS-MSOLQXFVSA-N 1 2 332.419 2.390 20 30 EEEDLO CCN(CCCNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(C#N)cn1 ZINC001095973414 1232844788 /nfs/dbraw/zinc/84/47/88/1232844788.db2.gz XLFWOZBXAUXFLZ-HNNXBMFYSA-N 1 2 340.431 2.134 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1cnsn1 ZINC001045052329 1233469067 /nfs/dbraw/zinc/46/90/67/1233469067.db2.gz SQFFPXZXTLTIRM-LBPRGKRZSA-N 1 2 328.869 2.397 20 30 EEEDLO Cc1ccc(C(=O)/C=C\C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000900060298 1233992565 /nfs/dbraw/zinc/99/25/65/1233992565.db2.gz DOWKLOYPYWHHDG-GIFJBRJJSA-N 1 2 344.455 2.207 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000800362497 1234074430 /nfs/dbraw/zinc/07/44/30/1234074430.db2.gz PVRSWHCFYSABPW-BFHYXJOUSA-N 1 2 326.437 2.339 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000800362497 1234074433 /nfs/dbraw/zinc/07/44/33/1234074433.db2.gz PVRSWHCFYSABPW-BFHYXJOUSA-N 1 2 326.437 2.339 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000800384262 1234091800 /nfs/dbraw/zinc/09/18/00/1234091800.db2.gz VTXKZZYSFHPBNC-KGLIPLIRSA-N 1 2 326.437 2.341 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000800384262 1234091803 /nfs/dbraw/zinc/09/18/03/1234091803.db2.gz VTXKZZYSFHPBNC-KGLIPLIRSA-N 1 2 326.437 2.341 20 30 EEEDLO CC1(C)CCCC[C@@H]1CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046086510 1234422973 /nfs/dbraw/zinc/42/29/73/1234422973.db2.gz JIMDGPFYYIBWEF-QZTJIDSGSA-N 1 2 346.519 2.335 20 30 EEEDLO C[C@]1(NC(=O)c2ccncc2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046100099 1234438108 /nfs/dbraw/zinc/43/81/08/1234438108.db2.gz ACSBIQGIDRHPPV-IBGZPJMESA-N 1 2 338.386 2.487 20 30 EEEDLO C[C@]1(NC(=O)c2ccncc2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046100099 1234438111 /nfs/dbraw/zinc/43/81/11/1234438111.db2.gz ACSBIQGIDRHPPV-IBGZPJMESA-N 1 2 338.386 2.487 20 30 EEEDLO C[C@@]1(NC(=O)c2ccccn2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046100753 1234438836 /nfs/dbraw/zinc/43/88/36/1234438836.db2.gz MTTHAZRXNOJZHY-LJQANCHMSA-N 1 2 338.386 2.487 20 30 EEEDLO C[C@@]1(NC(=O)c2ccccn2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046100753 1234438838 /nfs/dbraw/zinc/43/88/38/1234438838.db2.gz MTTHAZRXNOJZHY-LJQANCHMSA-N 1 2 338.386 2.487 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC001046220329 1234567640 /nfs/dbraw/zinc/56/76/40/1234567640.db2.gz JHVQTDOFQPGVAZ-MRXNPFEDSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC001046220329 1234567642 /nfs/dbraw/zinc/56/76/42/1234567642.db2.gz JHVQTDOFQPGVAZ-MRXNPFEDSA-N 1 2 329.429 2.046 20 30 EEEDLO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@H+](CC=C(Cl)Cl)C1 ZINC001046222764 1234569636 /nfs/dbraw/zinc/56/96/36/1234569636.db2.gz CVBAVBVWPCEBEC-AWEZNQCLSA-N 1 2 327.215 2.400 20 30 EEEDLO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001046222764 1234569637 /nfs/dbraw/zinc/56/96/37/1234569637.db2.gz CVBAVBVWPCEBEC-AWEZNQCLSA-N 1 2 327.215 2.400 20 30 EEEDLO Cc1csc(C[N@@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001046253245 1234596960 /nfs/dbraw/zinc/59/69/60/1234596960.db2.gz SQKCOFMGHWJKAU-MRXNPFEDSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1csc(C[N@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001046253245 1234596961 /nfs/dbraw/zinc/59/69/61/1234596961.db2.gz SQKCOFMGHWJKAU-MRXNPFEDSA-N 1 2 329.429 2.046 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N(C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001096112694 1234975162 /nfs/dbraw/zinc/97/51/62/1234975162.db2.gz FURBKXURSBWQOV-HNNXBMFYSA-N 1 2 346.475 2.420 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2scc3c2OCCO3)C1 ZINC001046746398 1235141933 /nfs/dbraw/zinc/14/19/33/1235141933.db2.gz JDRLQOCZGMPCLK-OAHLLOKOSA-N 1 2 342.848 2.466 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2scc3c2OCCO3)C1 ZINC001046746398 1235141936 /nfs/dbraw/zinc/14/19/36/1235141936.db2.gz JDRLQOCZGMPCLK-OAHLLOKOSA-N 1 2 342.848 2.466 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CCOCC2)C1 ZINC001046911832 1235299101 /nfs/dbraw/zinc/29/91/01/1235299101.db2.gz GWWNWXPNLUZMTM-ZDUSSCGKSA-N 1 2 336.810 2.239 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CCOCC2)C1 ZINC001046911832 1235299104 /nfs/dbraw/zinc/29/91/04/1235299104.db2.gz GWWNWXPNLUZMTM-ZDUSSCGKSA-N 1 2 336.810 2.239 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096155178 1235492946 /nfs/dbraw/zinc/49/29/46/1235492946.db2.gz FLFQSDASLGLZFC-HNNXBMFYSA-N 1 2 332.448 2.196 20 30 EEEDLO C[C@H](C(=O)N(C)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O)C1CCC1 ZINC001047424427 1235998672 /nfs/dbraw/zinc/99/86/72/1235998672.db2.gz KPOUQGQIGXLGDK-ZLIFDBKOSA-N 1 2 347.484 2.059 20 30 EEEDLO C[C@H](C(=O)N(C)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O)C1CCC1 ZINC001047424427 1235998679 /nfs/dbraw/zinc/99/86/79/1235998679.db2.gz KPOUQGQIGXLGDK-ZLIFDBKOSA-N 1 2 347.484 2.059 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001054977157 1249502768 /nfs/dbraw/zinc/50/27/68/1249502768.db2.gz VDLOOAOXYVOQBV-VHSXEESVSA-N 1 2 328.363 2.156 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2nc(C(F)F)no2)[C@@H](C)C1 ZINC001054977156 1249503360 /nfs/dbraw/zinc/50/33/60/1249503360.db2.gz VDLOOAOXYVOQBV-UWVGGRQHSA-N 1 2 328.363 2.156 20 30 EEEDLO CCC[C@H](CC)C(=O)NCC[NH+]1CCN(c2ccncc2C#N)CC1 ZINC001096289708 1237160978 /nfs/dbraw/zinc/16/09/78/1237160978.db2.gz MTYWXMHJWHYCCC-INIZCTEOSA-N 1 2 343.475 2.018 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056457123 1239390896 /nfs/dbraw/zinc/39/08/96/1239390896.db2.gz 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338.455 2.114 20 30 EEEDLO CCc1nc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)[C@H](C)C#N)cs1 ZINC001049372783 1240713675 /nfs/dbraw/zinc/71/36/75/1240713675.db2.gz NQSHDHZVEXQNKT-BPLDGKMQSA-N 1 2 332.473 2.430 20 30 EEEDLO CCc1nc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)[C@H](C)C#N)cs1 ZINC001049372783 1240713681 /nfs/dbraw/zinc/71/36/81/1240713681.db2.gz NQSHDHZVEXQNKT-BPLDGKMQSA-N 1 2 332.473 2.430 20 30 EEEDLO Cc1nc(N2CCC3(C[C@@H]3NC(=O)C#CC3CC3)CC2)c(C)c(C)[nH+]1 ZINC001096522202 1240861433 /nfs/dbraw/zinc/86/14/33/1240861433.db2.gz YZHFTZWJVCIDDP-KRWDZBQOSA-N 1 2 338.455 2.290 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001056947429 1240869417 /nfs/dbraw/zinc/86/94/17/1240869417.db2.gz CRGJJOMVHVBPAV-SFHVURJKSA-N 1 2 334.423 2.046 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C#CC2CC2)n1 ZINC001049456892 1240972747 /nfs/dbraw/zinc/97/27/47/1240972747.db2.gz PPBIWWXLRBEIMD-MOPGFXCFSA-N 1 2 340.471 2.443 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C#CC2CC2)n1 ZINC001049456892 1240972752 /nfs/dbraw/zinc/97/27/52/1240972752.db2.gz PPBIWWXLRBEIMD-MOPGFXCFSA-N 1 2 340.471 2.443 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ccc3c(c2)nnn3C)CC1 ZINC001000843005 1241027061 /nfs/dbraw/zinc/02/70/61/1241027061.db2.gz UJTDRSGQPIFFOS-UHFFFAOYSA-N 1 2 345.834 2.083 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ccc3c(c2)nnn3C)CC1 ZINC001000843005 1241027068 /nfs/dbraw/zinc/02/70/68/1241027068.db2.gz UJTDRSGQPIFFOS-UHFFFAOYSA-N 1 2 345.834 2.083 20 30 EEEDLO C=C[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C)o2)C1)c1ccccc1 ZINC001000977504 1241360383 /nfs/dbraw/zinc/36/03/83/1241360383.db2.gz FVWUIALAIFCYMG-IRXDYDNUSA-N 1 2 340.427 2.428 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1nnc(C)n1CC ZINC001049636268 1241722321 /nfs/dbraw/zinc/72/23/21/1241722321.db2.gz QQTXZSBGTMEHRZ-JKSUJKDBSA-N 1 2 345.491 2.384 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1nnc(C)n1CC ZINC001049636268 1241722326 /nfs/dbraw/zinc/72/23/26/1241722326.db2.gz QQTXZSBGTMEHRZ-JKSUJKDBSA-N 1 2 345.491 2.384 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cnc(C3CC3)nc2)CC1 ZINC001001235824 1241882376 /nfs/dbraw/zinc/88/23/76/1241882376.db2.gz ZIAYICUDRQGLTO-UHFFFAOYSA-N 1 2 332.835 2.468 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cnc(C3CC3)nc2)CC1 ZINC001001235824 1241882388 /nfs/dbraw/zinc/88/23/88/1241882388.db2.gz ZIAYICUDRQGLTO-UHFFFAOYSA-N 1 2 332.835 2.468 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cc3c([nH]c2=O)CCC3)CC1 ZINC001001439575 1242271126 /nfs/dbraw/zinc/27/11/26/1242271126.db2.gz QLUDLEFXXVXNAF-UHFFFAOYSA-N 1 2 347.846 2.390 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cc3c([nH]c2=O)CCC3)CC1 ZINC001001439575 1242271134 /nfs/dbraw/zinc/27/11/34/1242271134.db2.gz QLUDLEFXXVXNAF-UHFFFAOYSA-N 1 2 347.846 2.390 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001049821323 1242308446 /nfs/dbraw/zinc/30/84/46/1242308446.db2.gz VZVYCWHGUOCVNQ-MSOLQXFVSA-N 1 2 349.438 2.174 20 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ZINC001097180598 1243792197 /nfs/dbraw/zinc/79/21/97/1243792197.db2.gz UJNLFELNPMFUSE-GASCZTMLSA-N 1 2 326.444 2.382 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)[nH]c(C3CC3)n1)C2 ZINC001097286882 1243928802 /nfs/dbraw/zinc/92/88/02/1243928802.db2.gz LGSPPRFHMYMYIZ-BZPMIXESSA-N 1 2 348.834 2.147 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)[nH]c(C3CC3)n1)C2 ZINC001097286882 1243928805 /nfs/dbraw/zinc/92/88/05/1243928805.db2.gz LGSPPRFHMYMYIZ-BZPMIXESSA-N 1 2 348.834 2.147 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3n[nH]cc3c1)C2 ZINC001097303427 1243937671 /nfs/dbraw/zinc/93/76/71/1243937671.db2.gz LRJZGHWYGOBJEP-MCIONIFRSA-N 1 2 331.807 2.046 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3n[nH]cc3c1)C2 ZINC001097303427 1243937679 /nfs/dbraw/zinc/93/76/79/1243937679.db2.gz LRJZGHWYGOBJEP-MCIONIFRSA-N 1 2 331.807 2.046 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097311542 1243974991 /nfs/dbraw/zinc/97/49/91/1243974991.db2.gz LXXYWYJMOHHTSS-RDJZCZTQSA-N 1 2 346.475 2.326 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001097376473 1244070641 /nfs/dbraw/zinc/07/06/41/1244070641.db2.gz LWYQCSCZCZRXAP-AWEZNQCLSA-N 1 2 342.447 2.370 20 30 EEEDLO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c3ccccc3c1=O)C2 ZINC001097414852 1244134233 /nfs/dbraw/zinc/13/42/33/1244134233.db2.gz QBZDZXUEXSWWIO-XWIAVFTESA-N 1 2 337.423 2.439 20 30 EEEDLO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c3ccccc3c1=O)C2 ZINC001097414852 1244134241 /nfs/dbraw/zinc/13/42/41/1244134241.db2.gz QBZDZXUEXSWWIO-XWIAVFTESA-N 1 2 337.423 2.439 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)n1 ZINC001057630792 1244488802 /nfs/dbraw/zinc/48/88/02/1244488802.db2.gz FADLZPQOOAQSQL-HNNXBMFYSA-N 1 2 338.415 2.021 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CN(c3cc[nH+]c(C)n3)CC[C@@H]2C)cc1 ZINC001067984302 1250133055 /nfs/dbraw/zinc/13/30/55/1250133055.db2.gz ASDGKJVKXAUODD-KBXCAEBGSA-N 1 2 334.423 2.411 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](Nc2cccc(F)c2C#N)C1 ZINC001057676368 1244657489 /nfs/dbraw/zinc/65/74/89/1244657489.db2.gz MVRWWZJFFKUKSV-ZDUSSCGKSA-N 1 2 341.390 2.375 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCN(C)c2ccccc21 ZINC001050956989 1244722326 /nfs/dbraw/zinc/72/23/26/1244722326.db2.gz HXEWQBCWRLKNNT-AEFFLSMTSA-N 1 2 343.471 2.003 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCN(C)c2ccccc21 ZINC001050956989 1244722330 /nfs/dbraw/zinc/72/23/30/1244722330.db2.gz HXEWQBCWRLKNNT-AEFFLSMTSA-N 1 2 343.471 2.003 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)CC1)c1[nH]ncc1F ZINC001052688213 1244755440 /nfs/dbraw/zinc/75/54/40/1244755440.db2.gz OKDJVQNOJVDTAF-MRXNPFEDSA-N 1 2 340.402 2.185 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1)c1[nH]ncc1F ZINC001052688213 1244755444 /nfs/dbraw/zinc/75/54/44/1244755444.db2.gz OKDJVQNOJVDTAF-MRXNPFEDSA-N 1 2 340.402 2.185 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001052689438 1244758297 /nfs/dbraw/zinc/75/82/97/1244758297.db2.gz CYQQQPFJWQMDHU-HZPDHXFCSA-N 1 2 346.475 2.086 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC001051158723 1245063107 /nfs/dbraw/zinc/06/31/07/1245063107.db2.gz YZFGJLJRCHAJEM-BPQIPLTHSA-N 1 2 344.455 2.192 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC001051158723 1245063113 /nfs/dbraw/zinc/06/31/13/1245063113.db2.gz YZFGJLJRCHAJEM-BPQIPLTHSA-N 1 2 344.455 2.192 20 30 EEEDLO C=CCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001051169701 1245081180 /nfs/dbraw/zinc/08/11/80/1245081180.db2.gz YRKUPJVNELAMQM-LSDHHAIUSA-N 1 2 340.427 2.267 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnn(CCC(C)C)c1C ZINC001051203215 1245384181 /nfs/dbraw/zinc/38/41/81/1245384181.db2.gz OYYVKUUMAQDGDK-KRWDZBQOSA-N 1 2 348.491 2.244 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnn(CCC(C)C)c1C ZINC001051203215 1245384185 /nfs/dbraw/zinc/38/41/85/1245384185.db2.gz OYYVKUUMAQDGDK-KRWDZBQOSA-N 1 2 348.491 2.244 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001051228666 1245415682 /nfs/dbraw/zinc/41/56/82/1245415682.db2.gz MOIVPOODNGOWMX-RDJZCZTQSA-N 1 2 334.847 2.373 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001051228666 1245415686 /nfs/dbraw/zinc/41/56/86/1245415686.db2.gz MOIVPOODNGOWMX-RDJZCZTQSA-N 1 2 334.847 2.373 20 30 EEEDLO C=CCCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001051249429 1245438226 /nfs/dbraw/zinc/43/82/26/1245438226.db2.gz HXIPNBYACDWOEQ-GJZGRUSLSA-N 1 2 346.475 2.397 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(N(C)CC)cc1 ZINC001051269897 1245460959 /nfs/dbraw/zinc/46/09/59/1245460959.db2.gz ZQNOOQJSQLLNIC-GOSISDBHSA-N 1 2 331.460 2.149 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(N(C)CC)cc1 ZINC001051269897 1245460961 /nfs/dbraw/zinc/46/09/61/1245460961.db2.gz ZQNOOQJSQLLNIC-GOSISDBHSA-N 1 2 331.460 2.149 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001101167381 1245474562 /nfs/dbraw/zinc/47/45/62/1245474562.db2.gz AYPFCIWGHKCCRJ-DYVFJYSZSA-N 1 2 336.867 2.320 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001101167381 1245474565 /nfs/dbraw/zinc/47/45/65/1245474565.db2.gz AYPFCIWGHKCCRJ-DYVFJYSZSA-N 1 2 336.867 2.320 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NCCN(CCC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001101184731 1245493015 /nfs/dbraw/zinc/49/30/15/1245493015.db2.gz FONGCFRKCOHZGO-INIZCTEOSA-N 1 2 346.475 2.279 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001051333250 1245564365 /nfs/dbraw/zinc/56/43/65/1245564365.db2.gz ZKXYXJOBNMLFDR-HOTGVXAUSA-N 1 2 346.475 2.062 20 30 EEEDLO CCCN(CCNC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccncc1C#N ZINC001101247168 1245567854 /nfs/dbraw/zinc/56/78/54/1245567854.db2.gz WXVGSTUDKJCIFS-OAHLLOKOSA-N 1 2 340.431 2.134 20 30 EEEDLO C#Cc1ccc(C(=O)NCCN(c2nc(C)[nH+]c(C)c2C)C2CC2)nc1 ZINC001101367100 1245722776 /nfs/dbraw/zinc/72/27/76/1245722776.db2.gz DNCCPFOPUCFPDP-UHFFFAOYSA-N 1 2 349.438 2.177 20 30 EEEDLO CC(C)(C(=O)N1CCC[C@H]([C@H]2CCCN(CC#N)C2)C1)c1c[nH+]c[nH]1 ZINC001053049387 1245766881 /nfs/dbraw/zinc/76/68/81/1245766881.db2.gz CJRKVOUBKLICDA-HOTGVXAUSA-N 1 2 343.475 2.161 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C1(CC=C)CCC1)c1nccn12 ZINC001101642372 1246073760 /nfs/dbraw/zinc/07/37/60/1246073760.db2.gz AFJMHCKCPFAQCU-HNNXBMFYSA-N 1 2 326.444 2.387 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CCC[C@@H](OC)C1)CCO2 ZINC001053280089 1246136422 /nfs/dbraw/zinc/13/64/22/1246136422.db2.gz APAHEPZACVALCU-IAGOWNOFSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CCCC1(F)F)CCO2 ZINC001053394456 1246277285 /nfs/dbraw/zinc/27/72/85/1246277285.db2.gz XSLDYWKRUCTZFU-CQSZACIVSA-N 1 2 328.403 2.301 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1sc(CC)nc1C)CCO2 ZINC001053470429 1246369047 /nfs/dbraw/zinc/36/90/47/1246369047.db2.gz PXVGHAGZUZIOTJ-UHFFFAOYSA-N 1 2 335.473 2.117 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)C2)CC1 ZINC001052031883 1246396157 /nfs/dbraw/zinc/39/61/57/1246396157.db2.gz ZUKMWNRDXXHXEZ-WOJBJXKFSA-N 1 2 343.515 2.365 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC(C)=C(C)C3)C2)CC1 ZINC001052031882 1246396866 /nfs/dbraw/zinc/39/68/66/1246396866.db2.gz ZUKMWNRDXXHXEZ-VQTJNVASSA-N 1 2 343.515 2.365 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C)sc3C)C2)CC1 ZINC001052046691 1246417318 /nfs/dbraw/zinc/41/73/18/1246417318.db2.gz CISYGXOJSYKTLH-MRXNPFEDSA-N 1 2 333.501 2.383 20 30 EEEDLO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c(Cl)c1 ZINC001052087218 1246467059 /nfs/dbraw/zinc/46/70/59/1246467059.db2.gz PJBMOOUKSIGCNK-OAHLLOKOSA-N 1 2 346.862 2.004 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(C4CC4)c3)C2)CC1 ZINC001052121886 1246506622 /nfs/dbraw/zinc/50/66/22/1246506622.db2.gz JKRXAFYFMDJHRB-HXUWFJFHSA-N 1 2 337.467 2.029 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1coc(C(C)(C)C)n1)O2 ZINC001053598790 1246512927 /nfs/dbraw/zinc/51/29/27/1246512927.db2.gz FAIKAAFRIYKVAM-CYBMUJFWSA-N 1 2 333.432 2.121 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1[nH]ccc1C1CC1)O2 ZINC001053605604 1246522221 /nfs/dbraw/zinc/52/22/21/1246522221.db2.gz AQYMLACTBYOECK-HNNXBMFYSA-N 1 2 329.444 2.431 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccn(CC(C)C)n1)O2 ZINC001053606449 1246523064 /nfs/dbraw/zinc/52/30/64/1246523064.db2.gz UASJRGWCBPZMLP-INIZCTEOSA-N 1 2 346.475 2.078 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C)n([C@@H](C)CC)n1)O2 ZINC001053619542 1246543940 /nfs/dbraw/zinc/54/39/40/1246543940.db2.gz CHMBNKUDWDWOGG-HOCLYGCPSA-N 1 2 346.475 2.312 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc(C(C)C)n1)O2 ZINC001053627486 1246555140 /nfs/dbraw/zinc/55/51/40/1246555140.db2.gz YKUHRBWVBGKEAG-OAHLLOKOSA-N 1 2 329.444 2.354 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1[C@@H]3Cc4ccccc4[C@@H]31)O2 ZINC001053674308 1246625498 /nfs/dbraw/zinc/62/54/98/1246625498.db2.gz LCSNOBUNPQFOLC-OQIJWPOYSA-N 1 2 338.451 2.108 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc3c1CCC3)O2 ZINC001053702066 1246681205 /nfs/dbraw/zinc/68/12/05/1246681205.db2.gz NKFAPGOWAAOBON-MRXNPFEDSA-N 1 2 326.440 2.325 20 30 EEEDLO C[C@@H](CNC(=O)CCCn1cc[nH+]c1)Nc1ncc(C#N)cc1Cl ZINC001097911264 1246942289 /nfs/dbraw/zinc/94/22/89/1246942289.db2.gz IZFLLIHLIFDJGD-LBPRGKRZSA-N 1 2 346.822 2.200 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3cccnc3s1)CO2 ZINC001053973476 1247088205 /nfs/dbraw/zinc/08/82/05/1247088205.db2.gz DMVSFUOBILLIHH-CQSZACIVSA-N 1 2 343.452 2.446 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc3ccsc31)CO2 ZINC001053973854 1247090416 /nfs/dbraw/zinc/09/04/16/1247090416.db2.gz AHRFWUJJCNSHPO-OAHLLOKOSA-N 1 2 340.448 2.498 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccccc1OC(C)C)CO2 ZINC001053986273 1247108957 /nfs/dbraw/zinc/10/89/57/1247108957.db2.gz LAOOBGAAIVMYCM-MRXNPFEDSA-N 1 2 342.439 2.070 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3nc(C)ccc3o1)CO2 ZINC001053987345 1247110705 /nfs/dbraw/zinc/11/07/05/1247110705.db2.gz MDVNYEOIPGGUGT-AWEZNQCLSA-N 1 2 341.411 2.285 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(CC)on1 ZINC001054058701 1247262827 /nfs/dbraw/zinc/26/28/27/1247262827.db2.gz ULOUEMMBBGSLRQ-KRWDZBQOSA-N 1 2 337.423 2.417 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(CC)on1 ZINC001054058701 1247262836 /nfs/dbraw/zinc/26/28/36/1247262836.db2.gz ULOUEMMBBGSLRQ-KRWDZBQOSA-N 1 2 337.423 2.417 20 30 EEEDLO C[C@@H](c1csnn1)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001054130560 1247476941 /nfs/dbraw/zinc/47/69/41/1247476941.db2.gz SGRUEWDXRGQYGO-KBXCAEBGSA-N 1 2 344.484 2.327 20 30 EEEDLO C[C@@H](c1csnn1)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001054130560 1247476947 /nfs/dbraw/zinc/47/69/47/1247476947.db2.gz SGRUEWDXRGQYGO-KBXCAEBGSA-N 1 2 344.484 2.327 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3c(C4CC4)cnn3C)cc2C1 ZINC001054268266 1247945511 /nfs/dbraw/zinc/94/55/11/1247945511.db2.gz KBPGIENDRJSYSM-UHFFFAOYSA-N 1 2 334.423 2.176 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3c(C4CC4)cnn3C)cc2C1 ZINC001054268266 1247945517 /nfs/dbraw/zinc/94/55/17/1247945517.db2.gz KBPGIENDRJSYSM-UHFFFAOYSA-N 1 2 334.423 2.176 20 30 EEEDLO N#CCN1Cc2ccc(CNC(=O)c3cccc4[nH+]ccn43)cc2C1 ZINC001054273868 1247974334 /nfs/dbraw/zinc/97/43/34/1247974334.db2.gz FTRJFBFNKMDYQF-UHFFFAOYSA-N 1 2 331.379 2.103 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3nnn(C(C)C)c3C)cc2C1 ZINC001054288386 1248016460 /nfs/dbraw/zinc/01/64/60/1248016460.db2.gz UZKBBYGQERWDEO-UHFFFAOYSA-N 1 2 337.427 2.046 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3nnn(C(C)C)c3C)cc2C1 ZINC001054288386 1248016466 /nfs/dbraw/zinc/01/64/66/1248016466.db2.gz UZKBBYGQERWDEO-UHFFFAOYSA-N 1 2 337.427 2.046 20 30 EEEDLO Cc1cc(N(C)C2CCN(C(=O)[C@H](C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC001068654286 1251469279 /nfs/dbraw/zinc/46/92/79/1251469279.db2.gz ZQYYIMDOJFURJY-CYBMUJFWSA-N 1 2 329.448 2.495 20 30 EEEDLO 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C=C[C@H](C)[C@@H](C)C(=O)NCC1CC[NH+](Cc2cnn(CC)n2)CC1 ZINC001224165178 1300460949 /nfs/dbraw/zinc/46/09/49/1300460949.db2.gz HJMMLRUBEJGKCN-LSDHHAIUSA-N 1 2 333.480 2.084 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3OCCN(Cc4ccc[nH]4)[C@H]3C2)c1F ZINC001277007260 1300784867 /nfs/dbraw/zinc/78/48/67/1300784867.db2.gz MUQQDFJGCFFMIJ-ROUUACIJSA-N 1 2 340.402 2.111 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3OCCN(Cc4ccc[nH]4)[C@H]3C2)c1F ZINC001277007260 1300784875 /nfs/dbraw/zinc/78/48/75/1300784875.db2.gz MUQQDFJGCFFMIJ-ROUUACIJSA-N 1 2 340.402 2.111 20 30 EEEDLO N#CC1(NC(=O)[C@H]2CC23C[NH+](Cc2cc(F)cc(F)c2)C3)CCC1 ZINC001277169962 1301626235 /nfs/dbraw/zinc/62/62/35/1301626235.db2.gz KCAVMFBCICNVLM-OAHLLOKOSA-N 1 2 331.366 2.349 20 30 EEEDLO C=CCOCCCC(=O)N(CC)[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102793153 1301631709 /nfs/dbraw/zinc/63/17/09/1301631709.db2.gz UUOFIFBDTMJMTF-INIZCTEOSA-N 1 2 332.448 2.195 20 30 EEEDLO C#CCCCC(=O)NC1CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC001227108434 1301691257 /nfs/dbraw/zinc/69/12/57/1301691257.db2.gz QHSCTAOUQQAMST-UHFFFAOYSA-N 1 2 328.460 2.104 20 30 EEEDLO Cc1cc(N2CCCC[C@H](NC(=O)[C@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001102856750 1301776498 /nfs/dbraw/zinc/77/64/98/1301776498.db2.gz ZFNNGUBEYLUUIO-DOMZBBRYSA-N 1 2 327.432 2.297 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC001227332157 1301784733 /nfs/dbraw/zinc/78/47/33/1301784733.db2.gz JSPROOHHLAXWQL-ZDUSSCGKSA-N 1 2 347.484 2.139 20 30 EEEDLO C#CCC1(C(=O)NC2CC[NH+]([C@@H](C)c3ncccn3)CC2)CCC1 ZINC001227754991 1301955102 /nfs/dbraw/zinc/95/51/02/1301955102.db2.gz VXRWGVYAKBTMGO-HNNXBMFYSA-N 1 2 326.444 2.312 20 30 EEEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc([N+](=O)[O-])cc4cccnc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229344181 1302737801 /nfs/dbraw/zinc/73/78/01/1302737801.db2.gz RTGJTSVHJGOYMT-DZZGSBJMSA-N 1 2 327.340 2.134 20 30 EEEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc([N+](=O)[O-])cc4cccnc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229344181 1302737804 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20 30 EEEDLO C=C(Cl)C[N@@H+](CCCNC(=O)[C@@H](C)OC)Cc1cccnc1 ZINC001230695958 1303396100 /nfs/dbraw/zinc/39/61/00/1303396100.db2.gz MEERVDPLNFFBHI-CQSZACIVSA-N 1 2 325.840 2.177 20 30 EEEDLO C=C(Cl)C[N@H+](CCCNC(=O)[C@@H](C)OC)Cc1cccnc1 ZINC001230695958 1303396106 /nfs/dbraw/zinc/39/61/06/1303396106.db2.gz MEERVDPLNFFBHI-CQSZACIVSA-N 1 2 325.840 2.177 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CN(C)C(=O)CC2CCCCC2)C1=O ZINC001230702547 1303402185 /nfs/dbraw/zinc/40/21/85/1303402185.db2.gz NJRSJABKXAESQZ-QZTJIDSGSA-N 1 2 347.503 2.276 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CN(C)C(=O)CC2CCCCC2)C1=O ZINC001230702547 1303402188 /nfs/dbraw/zinc/40/21/88/1303402188.db2.gz NJRSJABKXAESQZ-QZTJIDSGSA-N 1 2 347.503 2.276 20 30 EEEDLO Cc1ncc(C[N@@H+](CCCNC(=O)[C@@H](C)C#N)Cc2cccnc2)o1 ZINC001230713622 1303408555 /nfs/dbraw/zinc/40/85/55/1303408555.db2.gz HEBCJJHKTDHPNJ-AWEZNQCLSA-N 1 2 341.415 2.046 20 30 EEEDLO Cc1ncc(C[N@H+](CCCNC(=O)[C@@H](C)C#N)Cc2cccnc2)o1 ZINC001230713622 1303408556 /nfs/dbraw/zinc/40/85/56/1303408556.db2.gz HEBCJJHKTDHPNJ-AWEZNQCLSA-N 1 2 341.415 2.046 20 30 EEEDLO Cc1nsc(C)c1C[N@H+]1CC[C@@H]1CN(C)C(=O)CSCC#N ZINC001230815073 1303478327 /nfs/dbraw/zinc/47/83/27/1303478327.db2.gz JYRSRVUOVJWNFS-CYBMUJFWSA-N 1 2 338.502 2.049 20 30 EEEDLO Cc1nsc(C)c1C[N@@H+]1CC[C@@H]1CN(C)C(=O)CSCC#N ZINC001230815073 1303478329 /nfs/dbraw/zinc/47/83/29/1303478329.db2.gz JYRSRVUOVJWNFS-CYBMUJFWSA-N 1 2 338.502 2.049 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)SC ZINC001230844685 1303496228 /nfs/dbraw/zinc/49/62/28/1303496228.db2.gz PEVBUUBIVRFEOQ-CJNGLKHVSA-N 1 2 347.484 2.351 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)SC ZINC001230844685 1303496231 /nfs/dbraw/zinc/49/62/31/1303496231.db2.gz PEVBUUBIVRFEOQ-CJNGLKHVSA-N 1 2 347.484 2.351 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001104209052 1303647970 /nfs/dbraw/zinc/64/79/70/1303647970.db2.gz OMTSOMIUAZPLLC-KUHUBIRLSA-N 1 2 345.491 2.231 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001104209052 1303647973 /nfs/dbraw/zinc/64/79/73/1303647973.db2.gz OMTSOMIUAZPLLC-KUHUBIRLSA-N 1 2 345.491 2.231 20 30 EEEDLO CCCCc1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H](C)C#N)C2)n1 ZINC001111667275 1303764566 /nfs/dbraw/zinc/76/45/66/1303764566.db2.gz YXZIGMPQQBMKAK-GLJUWKHASA-N 1 2 345.447 2.043 20 30 EEEDLO CCCCc1noc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@H](C)C#N)C2)n1 ZINC001111667275 1303764570 /nfs/dbraw/zinc/76/45/70/1303764570.db2.gz YXZIGMPQQBMKAK-GLJUWKHASA-N 1 2 345.447 2.043 20 30 EEEDLO N#Cc1ccc(NC2(CNC(=O)CCCn3cc[nH+]c3)CCC2)cn1 ZINC001111821746 1303942237 /nfs/dbraw/zinc/94/22/37/1303942237.db2.gz QAEBYVBMSITLHW-UHFFFAOYSA-N 1 2 338.415 2.081 20 30 EEEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(CC)o1)C2 ZINC001111845978 1303988366 /nfs/dbraw/zinc/98/83/66/1303988366.db2.gz KXIFYHANONLNRL-KXBFYZLASA-N 1 2 344.459 2.296 20 30 EEEDLO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(CC)o1)C2 ZINC001111845978 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/nfs/dbraw/zinc/56/46/64/1317564664.db2.gz CZKUXHXCOAEWGH-SYQHCUMBSA-N 1 2 345.281 2.289 20 30 EEEDLO Cc1oc(-c2ccco2)nc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001206659330 1317827796 /nfs/dbraw/zinc/82/77/96/1317827796.db2.gz JTJQFYMFUHFQPC-OUCADQQQSA-N 1 2 342.399 2.339 20 30 EEEDLO Cc1oc(-c2ccco2)nc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001206659330 1317827806 /nfs/dbraw/zinc/82/78/06/1317827806.db2.gz JTJQFYMFUHFQPC-OUCADQQQSA-N 1 2 342.399 2.339 20 30 EEEDLO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[NH2+]C[C@@H]2C#N)cc1F ZINC001156320185 1317963858 /nfs/dbraw/zinc/96/38/58/1317963858.db2.gz TXNAESZRKANANK-NSHDSACASA-N 1 2 342.765 2.110 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(C)cs1 ZINC001157214156 1318493342 /nfs/dbraw/zinc/49/33/42/1318493342.db2.gz YVAMABLHUMBAGH-ZIAGYGMSSA-N 1 2 325.478 2.369 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(C)cs1 ZINC001157214156 1318493350 /nfs/dbraw/zinc/49/33/50/1318493350.db2.gz YVAMABLHUMBAGH-ZIAGYGMSSA-N 1 2 325.478 2.369 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cnnn1C ZINC001157994686 1318963825 /nfs/dbraw/zinc/96/38/25/1318963825.db2.gz SAJOWPJQBUJBFI-QGZVFWFLSA-N 1 2 345.491 2.396 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cnnn1C ZINC001157994686 1318963826 /nfs/dbraw/zinc/96/38/26/1318963826.db2.gz SAJOWPJQBUJBFI-QGZVFWFLSA-N 1 2 345.491 2.396 20 30 EEEDLO C[N@@H+]1CCOC[C@H]1CNc1ccc([C@@H](C#N)c2ccccc2F)nn1 ZINC001158706871 1319389658 /nfs/dbraw/zinc/38/96/58/1319389658.db2.gz DYHIHUKJSFLHGF-HIFRSBDPSA-N 1 2 341.390 2.014 20 30 EEEDLO C[N@H+]1CCOC[C@H]1CNc1ccc([C@@H](C#N)c2ccccc2F)nn1 ZINC001158706871 1319389663 /nfs/dbraw/zinc/38/96/63/1319389663.db2.gz DYHIHUKJSFLHGF-HIFRSBDPSA-N 1 2 341.390 2.014 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2ncccn2)CC1 ZINC001159481136 1319830112 /nfs/dbraw/zinc/83/01/12/1319830112.db2.gz WSBKQUVFXVPZDK-MRXNPFEDSA-N 1 2 344.459 2.096 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2ncccn2)CC1 ZINC001159481136 1319830118 /nfs/dbraw/zinc/83/01/18/1319830118.db2.gz WSBKQUVFXVPZDK-MRXNPFEDSA-N 1 2 344.459 2.096 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@H+](Cc2cnn(C)n2)CC1 ZINC001160856798 1320293502 /nfs/dbraw/zinc/29/35/02/1320293502.db2.gz QYJAHHGLKCZBLU-UHFFFAOYSA-N 1 2 331.464 2.056 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2cnn(C)n2)CC1 ZINC001160856798 1320293504 /nfs/dbraw/zinc/29/35/04/1320293504.db2.gz QYJAHHGLKCZBLU-UHFFFAOYSA-N 1 2 331.464 2.056 20 30 EEEDLO C=CCC1(C(=O)NCCC2=CC[N@H+](Cc3cnon3)CC2)CCC1 ZINC001161126192 1320395673 /nfs/dbraw/zinc/39/56/73/1320395673.db2.gz SNYJJVDEGIPADI-UHFFFAOYSA-N 1 2 330.432 2.454 20 30 EEEDLO C=CCC1(C(=O)NCCC2=CC[N@@H+](Cc3cnon3)CC2)CCC1 ZINC001161126192 1320395677 /nfs/dbraw/zinc/39/56/77/1320395677.db2.gz SNYJJVDEGIPADI-UHFFFAOYSA-N 1 2 330.432 2.454 20 30 EEEDLO CC#CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H](F)CC)cc2)CC1 ZINC001163029602 1321019588 /nfs/dbraw/zinc/01/95/88/1321019588.db2.gz DCTHFVSTQIQHHE-LJQANCHMSA-N 1 2 345.462 2.192 20 30 EEEDLO C#CCCC1(CCNc2ccc(CN3C(=O)CCC3=O)c[nH+]2)N=N1 ZINC001163380043 1321110385 /nfs/dbraw/zinc/11/03/85/1321110385.db2.gz PEVVMYJJNCZLJR-UHFFFAOYSA-N 1 2 325.372 2.108 20 30 EEEDLO N#Cc1ccc2cc[nH+]c(N3CCN(C(=O)C(F)(F)F)CC3)c2c1 ZINC001164595009 1321428382 /nfs/dbraw/zinc/42/83/82/1321428382.db2.gz MEIQZMZUPORNSJ-UHFFFAOYSA-N 1 2 334.301 2.317 20 30 EEEDLO N#Cc1cc(Cl)cnc1N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001165547580 1321543965 /nfs/dbraw/zinc/54/39/65/1321543965.db2.gz MSWBDEAPZMZCIH-UHFFFAOYSA-N 1 2 340.774 2.402 20 30 EEEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cccc(OC)c2OC)CC1 ZINC001203452109 1321883757 /nfs/dbraw/zinc/88/37/57/1321883757.db2.gz MBDGXZAJBQSWAC-UHFFFAOYSA-N 1 2 332.400 2.373 20 30 EEEDLO N#Cc1ccc(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)nc1 ZINC001263475120 1322481507 /nfs/dbraw/zinc/48/15/07/1322481507.db2.gz WNAXQHPEKGJATL-UHFFFAOYSA-N 1 2 332.363 2.484 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2nc(C)oc2C)C[C@H]1C ZINC001206429341 1323490606 /nfs/dbraw/zinc/49/06/06/1323490606.db2.gz XWNKUUYRWHQWBJ-IVMMDQJWSA-N 1 2 335.448 2.209 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)oc2C)C[C@H]1C ZINC001206429341 1323490609 /nfs/dbraw/zinc/49/06/09/1323490609.db2.gz XWNKUUYRWHQWBJ-IVMMDQJWSA-N 1 2 335.448 2.209 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(CC(F)(F)F)n2)C[C@H]1C ZINC001206537315 1323526143 /nfs/dbraw/zinc/52/61/43/1323526143.db2.gz QVOWQRRLUPPKGW-TZMCWYRMSA-N 1 2 344.381 2.348 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(CC(F)(F)F)n2)C[C@H]1C ZINC001206537315 1323526149 /nfs/dbraw/zinc/52/61/49/1323526149.db2.gz QVOWQRRLUPPKGW-TZMCWYRMSA-N 1 2 344.381 2.348 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001206912299 1323694931 /nfs/dbraw/zinc/69/49/31/1323694931.db2.gz DYJBTTRWXCZLJS-SJLPKXTDSA-N 1 2 341.455 2.174 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C)C[C@H]1C ZINC001206912299 1323694937 /nfs/dbraw/zinc/69/49/37/1323694937.db2.gz DYJBTTRWXCZLJS-SJLPKXTDSA-N 1 2 341.455 2.174 20 30 EEEDLO CC(C)[C@@H](O)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206929581 1323714115 /nfs/dbraw/zinc/71/41/15/1323714115.db2.gz REGCDKYVSHQTRA-ZTFGCOKTSA-N 1 2 348.874 2.145 20 30 EEEDLO CC(C)[C@@H](O)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206929581 1323714123 /nfs/dbraw/zinc/71/41/23/1323714123.db2.gz REGCDKYVSHQTRA-ZTFGCOKTSA-N 1 2 348.874 2.145 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(Cc4ccc(C#N)cc4F)C3)C2)cc1C#N ZINC001279227132 1323852565 /nfs/dbraw/zinc/85/25/65/1323852565.db2.gz VAFRRXFCHDDBPN-UHFFFAOYSA-N 1 2 349.413 2.225 20 30 EEEDLO Cn1cc(C[N@@H+]2CCC23CN(Cc2ccc(F)c(C#N)c2)C3)cc1C#N ZINC001279372917 1323889657 /nfs/dbraw/zinc/88/96/57/1323889657.db2.gz MAMQKCOIBGYHKD-UHFFFAOYSA-N 1 2 349.413 2.368 20 30 EEEDLO Cn1cc(C[N@H+]2CCC23CN(Cc2ccc(F)c(C#N)c2)C3)cc1C#N ZINC001279372917 1323889663 /nfs/dbraw/zinc/88/96/63/1323889663.db2.gz MAMQKCOIBGYHKD-UHFFFAOYSA-N 1 2 349.413 2.368 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3nc(C)no3)C[C@H]2C)CCC1 ZINC001207521988 1324004127 /nfs/dbraw/zinc/00/41/27/1324004127.db2.gz QFIXGWKIIBDSQW-VNHYZAJKSA-N 1 2 330.432 2.069 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3nc(C)no3)C[C@H]2C)CCC1 ZINC001207521988 1324004131 /nfs/dbraw/zinc/00/41/31/1324004131.db2.gz QFIXGWKIIBDSQW-VNHYZAJKSA-N 1 2 330.432 2.069 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ncccn3)C[C@H]2C)CCC1 ZINC001207522078 1324004537 /nfs/dbraw/zinc/00/45/37/1324004537.db2.gz UYJPBRUZUILUJR-OWCLPIDISA-N 1 2 326.444 2.168 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ncccn3)C[C@H]2C)CCC1 ZINC001207522078 1324004544 /nfs/dbraw/zinc/00/45/44/1324004544.db2.gz UYJPBRUZUILUJR-OWCLPIDISA-N 1 2 326.444 2.168 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2ncc(CC)o2)C[C@H]1C ZINC001208129651 1324328725 /nfs/dbraw/zinc/32/87/25/1324328725.db2.gz ZKUFFGWRBBYEED-IDHHARJASA-N 1 2 349.475 2.402 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(CC)o2)C[C@H]1C ZINC001208129651 1324328732 /nfs/dbraw/zinc/32/87/32/1324328732.db2.gz ZKUFFGWRBBYEED-IDHHARJASA-N 1 2 349.475 2.402 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cncc2sccc21 ZINC001316605301 1324404900 /nfs/dbraw/zinc/40/49/00/1324404900.db2.gz KAKLNJVLFIIMKN-AWEZNQCLSA-N 1 2 343.452 2.092 20 30 EEEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cncc2sccc21 ZINC001316605301 1324404903 /nfs/dbraw/zinc/40/49/03/1324404903.db2.gz KAKLNJVLFIIMKN-AWEZNQCLSA-N 1 2 343.452 2.092 20 30 EEEDLO CC[C@H](CC(F)(F)F)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001316608113 1324698040 /nfs/dbraw/zinc/69/80/40/1324698040.db2.gz WTSYSLUVJCPVNJ-KGLIPLIRSA-N 1 2 334.382 2.148 20 30 EEEDLO CC[C@H](CC(F)(F)F)C(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001316608113 1324698048 /nfs/dbraw/zinc/69/80/48/1324698048.db2.gz WTSYSLUVJCPVNJ-KGLIPLIRSA-N 1 2 334.382 2.148 20 30 EEEDLO C#CCN1CC2(CCC1=O)CC[NH+](CC(=O)c1ccc(C#N)cc1)CC2 ZINC001276628008 1324875420 /nfs/dbraw/zinc/87/54/20/1324875420.db2.gz TWEZVMUKCHQDKV-UHFFFAOYSA-N 1 2 349.434 2.079 20 30 EEEDLO CN(C)c1nc(N)nc(C[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC001307797879 1331547553 /nfs/dbraw/zinc/54/75/53/1331547553.db2.gz CVQLBMSMFWOCKC-CQSZACIVSA-N 1 2 325.420 2.045 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)c(C#N)c3)n2CC=C)CC1 ZINC001340463015 1337190067 /nfs/dbraw/zinc/19/00/67/1337190067.db2.gz PFFIKGKEUPWORO-UHFFFAOYSA-N 1 2 346.438 2.066 20 30 EEEDLO CC[C@H](C(=O)[C@H](C#N)C(=O)Nc1cccc(OC)c1)[NH+](CC)CC ZINC001343365275 1337332985 /nfs/dbraw/zinc/33/29/85/1337332985.db2.gz HPOBCOWZSASCEY-JKSUJKDBSA-N 1 2 331.416 2.463 20 30 EEEDLO CC[C@H](C(=O)C(C#N)C(=O)Nc1cccc(OC)c1)[NH+](CC)CC ZINC001343365275 1337332988 /nfs/dbraw/zinc/33/29/88/1337332988.db2.gz HPOBCOWZSASCEY-JKSUJKDBSA-N 1 2 331.416 2.463 20 30 EEEDLO C=CCn1c(Nc2ccn(CC)n2)nnc1[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001355887449 1338763840 /nfs/dbraw/zinc/76/38/40/1338763840.db2.gz ZMVRFDALIPURPE-CQSZACIVSA-N 1 2 345.451 2.206 20 30 EEEDLO C=CCn1c(Nc2ccn(CC)n2)nnc1[C@H]1C[N@H+](C(C)C)CCO1 ZINC001355887449 1338763844 /nfs/dbraw/zinc/76/38/44/1338763844.db2.gz ZMVRFDALIPURPE-CQSZACIVSA-N 1 2 345.451 2.206 20 30 EEEDLO COc1ncc(NC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1C#N ZINC001434750049 1341934412 /nfs/dbraw/zinc/93/44/12/1341934412.db2.gz UJBLHIYTLJTLAS-UHFFFAOYSA-N 1 2 341.371 2.304 20 30 EEEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001566827326 1342637992 /nfs/dbraw/zinc/63/79/92/1342637992.db2.gz RAMJNAWPNUDOCD-UHFFFAOYSA-N 1 2 326.747 2.302 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2nsc3ccccc23)C1 ZINC001660988471 1354569313 /nfs/dbraw/zinc/56/93/13/1354569313.db2.gz PMLZKRABBYYAGT-KGLIPLIRSA-N 1 2 343.452 2.025 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2nsc3ccccc23)C1 ZINC001660988471 1354569315 /nfs/dbraw/zinc/56/93/15/1354569315.db2.gz PMLZKRABBYYAGT-KGLIPLIRSA-N 1 2 343.452 2.025 20 30 EEEDLO Cc1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001492778537 1387359656 /nfs/dbraw/zinc/35/96/56/1387359656.db2.gz BFPXJLFURBNLCJ-AWEZNQCLSA-N 1 2 335.415 2.416 20 30 EEEDLO C=CCCC[N@H+]1C[C@]2(F)CN(COC(=O)C(C)(C)C)C(=O)[C@]2(F)C1 ZINC001273486487 1368146039 /nfs/dbraw/zinc/14/60/39/1368146039.db2.gz IKWNWWBKXSSHGY-DLBZAZTESA-N 1 2 344.402 2.074 20 30 EEEDLO C=CCCC[N@@H+]1C[C@]2(F)CN(COC(=O)C(C)(C)C)C(=O)[C@]2(F)C1 ZINC001273486487 1368146043 /nfs/dbraw/zinc/14/60/43/1368146043.db2.gz IKWNWWBKXSSHGY-DLBZAZTESA-N 1 2 344.402 2.074 20 30 EEEDLO C=C(C)CN1CC[C@@]2(CC[N@H+](CC(=O)c3cc(F)ccc3O)C2)C1=O ZINC001273780010 1368662249 /nfs/dbraw/zinc/66/22/49/1368662249.db2.gz PZBQFLFSFZHZBU-LJQANCHMSA-N 1 2 346.402 2.215 20 30 EEEDLO C=C(C)CN1CC[C@@]2(CC[N@@H+](CC(=O)c3cc(F)ccc3O)C2)C1=O ZINC001273780010 1368662256 /nfs/dbraw/zinc/66/22/56/1368662256.db2.gz PZBQFLFSFZHZBU-LJQANCHMSA-N 1 2 346.402 2.215 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)c1nc(C)c[nH]1 ZINC001424718334 1401238431 /nfs/dbraw/zinc/23/84/31/1401238431.db2.gz ZOQFVSVMTYGDCM-GFCCVEGCSA-N 1 2 341.253 2.163 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1nc(C)c[nH]1 ZINC001424718334 1401238433 /nfs/dbraw/zinc/23/84/33/1401238433.db2.gz ZOQFVSVMTYGDCM-GFCCVEGCSA-N 1 2 341.253 2.163 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001488299455 1368962929 /nfs/dbraw/zinc/96/29/29/1368962929.db2.gz PGZXJPBOVVQQDF-LSDHHAIUSA-N 1 2 332.448 2.018 20 30 EEEDLO CC(C)n1ncnc1CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000853685156 1369367733 /nfs/dbraw/zinc/36/77/33/1369367733.db2.gz RDZWJLABNRLVOC-UHFFFAOYSA-N 1 2 338.209 2.459 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@H]21 ZINC001114340679 1369570253 /nfs/dbraw/zinc/57/02/53/1369570253.db2.gz KJUFFDQMGLDOHJ-BCUIYNNISA-N 1 2 331.464 2.077 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@H]21 ZINC001114340679 1369570256 /nfs/dbraw/zinc/57/02/56/1369570256.db2.gz KJUFFDQMGLDOHJ-BCUIYNNISA-N 1 2 331.464 2.077 20 30 EEEDLO C=CC(C)(C)CC(=O)NC1(CC)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001069566452 1370181155 /nfs/dbraw/zinc/18/11/55/1370181155.db2.gz KNMINSFCFPQIBB-UHFFFAOYSA-N 1 2 346.475 2.442 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)C(F)F)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001071288528 1370457653 /nfs/dbraw/zinc/45/76/53/1370457653.db2.gz NOVMPTUDVYSMRN-GXFFZTMASA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)C(F)F)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001071288528 1370457656 /nfs/dbraw/zinc/45/76/56/1370457656.db2.gz NOVMPTUDVYSMRN-GXFFZTMASA-N 1 2 325.334 2.432 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cn(CCC)nn2)CC[C@H]1C ZINC001071944673 1370584454 /nfs/dbraw/zinc/58/44/54/1370584454.db2.gz BBPMUKMQTCUNMG-OLZOCXBDSA-N 1 2 325.844 2.023 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn(CCC)nn2)CC[C@H]1C ZINC001071944673 1370584458 /nfs/dbraw/zinc/58/44/58/1370584458.db2.gz BBPMUKMQTCUNMG-OLZOCXBDSA-N 1 2 325.844 2.023 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCn2cc(Cl)cn2)C1 ZINC001389390126 1388093822 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ZINC001367549378 1374209081 /nfs/dbraw/zinc/20/90/81/1374209081.db2.gz CUIDUYZBIJZEGA-INIZCTEOSA-N 1 2 347.434 2.404 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)C[C@@H]1CCCOC1 ZINC001367549378 1374209085 /nfs/dbraw/zinc/20/90/85/1374209085.db2.gz CUIDUYZBIJZEGA-INIZCTEOSA-N 1 2 347.434 2.404 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC2(O)CCC2)C[C@H]1C ZINC001368695273 1374449956 /nfs/dbraw/zinc/44/99/56/1374449956.db2.gz OSLGNWWBISBDIO-OLZOCXBDSA-N 1 2 345.281 2.169 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC2(O)CCC2)C[C@H]1C ZINC001368695273 1374449958 /nfs/dbraw/zinc/44/99/58/1374449958.db2.gz OSLGNWWBISBDIO-OLZOCXBDSA-N 1 2 345.281 2.169 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCC(=O)N(CC)CC)[C@H]1C ZINC001369435068 1374537859 /nfs/dbraw/zinc/53/78/59/1374537859.db2.gz QXHUNENVYFJZJN-CABCVRRESA-N 1 2 343.899 2.357 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCC(=O)N(CC)CC)[C@H]1C ZINC001369435068 1374537865 /nfs/dbraw/zinc/53/78/65/1374537865.db2.gz QXHUNENVYFJZJN-CABCVRRESA-N 1 2 343.899 2.357 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC001375124924 1377393731 /nfs/dbraw/zinc/39/37/31/1377393731.db2.gz BMCYNKDPSWFAKU-GFCCVEGCSA-N 1 2 337.851 2.469 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC001375124924 1377393737 /nfs/dbraw/zinc/39/37/37/1377393737.db2.gz BMCYNKDPSWFAKU-GFCCVEGCSA-N 1 2 337.851 2.469 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CNC(=O)CCC2CCCC2)C1 ZINC001376147411 1378328291 /nfs/dbraw/zinc/32/82/91/1378328291.db2.gz MTMPIEVDIKRWBL-HNNXBMFYSA-N 1 2 341.883 2.016 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CNC(=O)CCC2CCCC2)C1 ZINC001376147411 1378328300 /nfs/dbraw/zinc/32/83/00/1378328300.db2.gz MTMPIEVDIKRWBL-HNNXBMFYSA-N 1 2 341.883 2.016 20 30 EEEDLO CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001377128226 1378991841 /nfs/dbraw/zinc/99/18/41/1378991841.db2.gz GUDKTVCEUWDGEC-GJZGRUSLSA-N 1 2 344.459 2.345 20 30 EEEDLO CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001377128226 1378991844 /nfs/dbraw/zinc/99/18/44/1378991844.db2.gz GUDKTVCEUWDGEC-GJZGRUSLSA-N 1 2 344.459 2.345 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cn(CC(F)F)nc1C ZINC001378070376 1379681709 /nfs/dbraw/zinc/68/17/09/1379681709.db2.gz WGNVWYMHEAMTNH-SNVBAGLBSA-N 1 2 334.798 2.259 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cn(CC(F)F)nc1C ZINC001378070376 1379681715 /nfs/dbraw/zinc/68/17/15/1379681715.db2.gz WGNVWYMHEAMTNH-SNVBAGLBSA-N 1 2 334.798 2.259 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cccnc1N1CCCC1 ZINC001381552045 1381648523 /nfs/dbraw/zinc/64/85/23/1381648523.db2.gz NKCJZGMXPAKICL-AWEZNQCLSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cccnc1N1CCCC1 ZINC001381552045 1381648524 /nfs/dbraw/zinc/64/85/24/1381648524.db2.gz NKCJZGMXPAKICL-AWEZNQCLSA-N 1 2 336.867 2.484 20 30 EEEDLO C[C@H](OCC1CC1)C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001390744159 1388759916 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CC(C)C#CC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC001752781363 1406397235 /nfs/dbraw/zinc/39/72/35/1406397235.db2.gz PXEQMLPNOJFCDL-CABCVRRESA-N 1 2 344.459 2.496 20 30 EEEDLO CC(C)C#CC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC001752781363 1406397248 /nfs/dbraw/zinc/39/72/48/1406397248.db2.gz PXEQMLPNOJFCDL-CABCVRRESA-N 1 2 344.459 2.496 20 30 EEEDLO C[C@H](C#N)C(=O)N(C)CC[N@H+](C)[C@H](C)c1nnc(-c2cccs2)o1 ZINC001392264107 1389937239 /nfs/dbraw/zinc/93/72/39/1389937239.db2.gz BTOJLVXTBISLPA-VXGBXAGGSA-N 1 2 347.444 2.409 20 30 EEEDLO C[C@H](C#N)C(=O)N(C)CC[N@@H+](C)[C@H](C)c1nnc(-c2cccs2)o1 ZINC001392264107 1389937244 /nfs/dbraw/zinc/93/72/44/1389937244.db2.gz BTOJLVXTBISLPA-VXGBXAGGSA-N 1 2 347.444 2.409 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)CC1(C)CC1 ZINC001392840290 1390217138 /nfs/dbraw/zinc/21/71/38/1390217138.db2.gz MZZXMVVRTIUICC-INIZCTEOSA-N 1 2 327.428 2.448 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)CC1(C)CC1 ZINC001392840290 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C[C@@H](C[N@@H+](C)CC#Cc1ccc(F)cc1)NC(=O)C(=O)C(C)(C)C ZINC001754305100 1406880579 /nfs/dbraw/zinc/88/05/79/1406880579.db2.gz HWWLVHWPMZYUKL-AWEZNQCLSA-N 1 2 332.419 2.229 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CCC2(C[NH+](CCc3ccns3)C2)O1 ZINC001755053550 1407059594 /nfs/dbraw/zinc/05/95/94/1407059594.db2.gz WBDPVUKEVOGBHP-CQSZACIVSA-N 1 2 335.473 2.001 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cccc(-n2cccn2)n1 ZINC001422562535 1400023437 /nfs/dbraw/zinc/02/34/37/1400023437.db2.gz LZJGCAGQPRKWFT-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cccc(-n2cccn2)n1 ZINC001422562535 1400023444 /nfs/dbraw/zinc/02/34/44/1400023444.db2.gz LZJGCAGQPRKWFT-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2nncn2C)CC1(C)C ZINC001755137622 1407147006 /nfs/dbraw/zinc/14/70/06/1407147006.db2.gz AQTLFIJEUPJHCK-GJZGRUSLSA-N 1 2 333.480 2.449 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2nncn2C)CC1(C)C ZINC001755137622 1407147009 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COCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H]1C ZINC001772308350 1410124538 /nfs/dbraw/zinc/12/45/38/1410124538.db2.gz MJDZVPJXDQYYDD-HNNXBMFYSA-N 1 2 346.479 2.006 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001122377597 1410275793 /nfs/dbraw/zinc/27/57/93/1410275793.db2.gz BAOIUAXXGHPCAB-DZGCQCFKSA-N 1 2 332.448 2.154 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NCC1CC([NH2+]Cc2noc(CC)n2)C1 ZINC001100362260 1410554218 /nfs/dbraw/zinc/55/42/18/1410554218.db2.gz ZNUVQLUQLQUSED-UHFFFAOYSA-N 1 2 340.855 2.395 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCCN(CC)c1ncnc2c1C[N@H+](C)CC2 ZINC001100676093 1410693879 /nfs/dbraw/zinc/69/38/79/1410693879.db2.gz BRTGIAGOJYTFLQ-UHFFFAOYSA-N 1 2 345.491 2.009 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCCN(CC)c1ncnc2c1C[N@@H+](C)CC2 ZINC001100676093 1410693886 /nfs/dbraw/zinc/69/38/86/1410693886.db2.gz BRTGIAGOJYTFLQ-UHFFFAOYSA-N 1 2 345.491 2.009 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001104161724 1410797922 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2.250 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)NC[C@@H](C)CNc2ccc(C#N)nc2)c[nH+]1 ZINC001104260683 757759718 /nfs/dbraw/zinc/75/97/18/757759718.db2.gz XRILUHMHQXYNSQ-ZDUSSCGKSA-N 1 2 340.431 2.058 20 30 EEEDLO C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)CNc1ccc(C#N)cn1 ZINC001104263397 757770428 /nfs/dbraw/zinc/77/04/28/757770428.db2.gz IUEMQXITXJACPU-GFCCVEGCSA-N 1 2 334.383 2.308 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@@H](C)C1 ZINC001112502927 759594783 /nfs/dbraw/zinc/59/47/83/759594783.db2.gz WFEUHECJSXDZIM-STQMWFEESA-N 1 2 342.447 2.049 20 30 EEEDLO Cc1ccnc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)n1 ZINC001024412890 761337834 /nfs/dbraw/zinc/33/78/34/761337834.db2.gz SSLOAVBMCRPEED-GOSISDBHSA-N 1 2 349.438 2.441 20 30 EEEDLO Cc1ccnc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)n1 ZINC001024412890 761337845 /nfs/dbraw/zinc/33/78/45/761337845.db2.gz SSLOAVBMCRPEED-GOSISDBHSA-N 1 2 349.438 2.441 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ncc[nH]2)c(F)c1 ZINC001024434358 761351996 /nfs/dbraw/zinc/35/19/96/761351996.db2.gz ZGFOCGNXXUGIGM-HNNXBMFYSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ncc[nH]2)c(F)c1 ZINC001024434358 761352004 /nfs/dbraw/zinc/35/20/04/761352004.db2.gz ZGFOCGNXXUGIGM-HNNXBMFYSA-N 1 2 341.390 2.205 20 30 EEEDLO C=CCCC1(C(=O)N(C)[C@H](C)CNc2[nH+]cnc3c2cnn3C)CC1 ZINC001104787022 765286071 /nfs/dbraw/zinc/28/60/71/765286071.db2.gz RWCFWFXHKBGNPM-CYBMUJFWSA-N 1 2 342.447 2.369 20 30 EEEDLO C[C@H](CNc1ccc(C#N)nc1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001104865289 765456733 /nfs/dbraw/zinc/45/67/33/765456733.db2.gz AEOAMGNWNZULQO-GFCCVEGCSA-N 1 2 334.383 2.402 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)c2nnc(C)[nH]2)C1 ZINC001112068298 765698679 /nfs/dbraw/zinc/69/86/79/765698679.db2.gz RMAILCIARDJXJN-YUSALJHKSA-N 1 2 345.369 2.119 20 30 EEEDLO C=CCOCCCC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001105035954 768919715 /nfs/dbraw/zinc/91/97/15/768919715.db2.gz VPSWVWGLGXYBPM-GOEBONIOSA-N 1 2 332.448 2.417 20 30 EEEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)c3ccncc3F)C2)ccc1F ZINC001031587298 769887412 /nfs/dbraw/zinc/88/74/12/769887412.db2.gz XRWKMJWFGBBKQV-UHFFFAOYSA-N 1 2 342.349 2.093 20 30 EEEDLO CCc1ocnc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031591936 769946588 /nfs/dbraw/zinc/94/65/88/769946588.db2.gz POQKMLDBQLJPHW-UHFFFAOYSA-N 1 2 342.374 2.110 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(CC)o4)CC[C@@H]3C2)C1 ZINC001088098517 782910645 /nfs/dbraw/zinc/91/06/45/782910645.db2.gz NXDRLOAUKADMRD-CABCVRRESA-N 1 2 344.459 2.269 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(CC)o4)CC[C@@H]3C2)C1 ZINC001088098517 782910648 /nfs/dbraw/zinc/91/06/48/782910648.db2.gz NXDRLOAUKADMRD-CABCVRRESA-N 1 2 344.459 2.269 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000840762238 782952125 /nfs/dbraw/zinc/95/21/25/782952125.db2.gz NEOFAVGPKDEBLI-SECBINFHSA-N 1 2 348.186 2.487 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000840762238 782952131 /nfs/dbraw/zinc/95/21/31/782952131.db2.gz NEOFAVGPKDEBLI-SECBINFHSA-N 1 2 348.186 2.487 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC001027888437 774055564 /nfs/dbraw/zinc/05/55/64/774055564.db2.gz OYKWSZQQMDKYEQ-ZACQAIPSSA-N 1 2 349.862 2.492 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC001027888437 774055568 /nfs/dbraw/zinc/05/55/68/774055568.db2.gz OYKWSZQQMDKYEQ-ZACQAIPSSA-N 1 2 349.862 2.492 20 30 EEEDLO CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC001089663990 774071233 /nfs/dbraw/zinc/07/12/33/774071233.db2.gz YQTAWPJHEDYEGR-AWEZNQCLSA-N 1 2 328.460 2.142 20 30 EEEDLO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC001089663990 774071241 /nfs/dbraw/zinc/07/12/41/774071241.db2.gz YQTAWPJHEDYEGR-AWEZNQCLSA-N 1 2 328.460 2.142 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC000938656752 774340598 /nfs/dbraw/zinc/34/05/98/774340598.db2.gz JNZUHSNMJOXGBN-RDJZCZTQSA-N 1 2 344.459 2.298 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001067513897 790329591 /nfs/dbraw/zinc/32/95/91/790329591.db2.gz AIHORKCKCNRDDR-HOTGVXAUSA-N 1 2 348.491 2.498 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001067513897 790329606 /nfs/dbraw/zinc/32/96/06/790329606.db2.gz AIHORKCKCNRDDR-HOTGVXAUSA-N 1 2 348.491 2.498 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000939007436 775170126 /nfs/dbraw/zinc/17/01/26/775170126.db2.gz YRFCWTMDBNUEPV-AWEZNQCLSA-N 1 2 340.427 2.448 20 30 EEEDLO COc1cncc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c1C ZINC001031770848 775268507 /nfs/dbraw/zinc/26/85/07/775268507.db2.gz SOTHWHSQDBGFTM-UHFFFAOYSA-N 1 2 349.434 2.112 20 30 EEEDLO CCO[C@H]1C[C@@H]1C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000980750486 775445246 /nfs/dbraw/zinc/44/52/46/775445246.db2.gz IOXZLWNRARSQCX-WMZOPIPTSA-N 1 2 345.418 2.157 20 30 EEEDLO CCO[C@H]1C[C@@H]1C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 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/nfs/dbraw/zinc/80/24/17/777802417.db2.gz VDAJTFJMQJFFBM-UHFFFAOYSA-N 1 2 338.249 2.461 20 30 EEEDLO CC(C)c1cnc(C[N@@H+]2CCCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)o1 ZINC000981668804 777947201 /nfs/dbraw/zinc/94/72/01/777947201.db2.gz DZIGTGBXNYCYTA-AWEZNQCLSA-N 1 2 330.432 2.382 20 30 EEEDLO CC(C)c1cnc(C[N@H+]2CCCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)o1 ZINC000981668804 777947212 /nfs/dbraw/zinc/94/72/12/777947212.db2.gz DZIGTGBXNYCYTA-AWEZNQCLSA-N 1 2 330.432 2.382 20 30 EEEDLO Cc1nocc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001028113833 777950193 /nfs/dbraw/zinc/95/01/93/777950193.db2.gz UJKBWFFFGSLSFF-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nocc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001028113833 777950199 /nfs/dbraw/zinc/95/01/99/777950199.db2.gz UJKBWFFFGSLSFF-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001212347053 778047194 /nfs/dbraw/zinc/04/71/94/778047194.db2.gz QJYVXTVDFUJQSJ-RTBURBONSA-N 1 2 344.430 2.349 20 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/nfs/dbraw/zinc/20/64/76/778206476.db2.gz HCTRINICWXJQON-UHFFFAOYSA-N 1 2 345.834 2.248 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)C3=COCCC3)[C@@H]2C1 ZINC001075601871 778394897 /nfs/dbraw/zinc/39/48/97/778394897.db2.gz YZSJCBGVOMBBRS-GXTWGEPZSA-N 1 2 341.249 2.122 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)C3=COCCC3)[C@@H]2C1 ZINC001075601871 778394904 /nfs/dbraw/zinc/39/49/04/778394904.db2.gz YZSJCBGVOMBBRS-GXTWGEPZSA-N 1 2 341.249 2.122 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1nn(C)c2c1CCCC2 ZINC001028151729 778521282 /nfs/dbraw/zinc/52/12/82/778521282.db2.gz HIRWMXBVLQZOSP-CYBMUJFWSA-N 1 2 336.867 2.246 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nn(C)c2c1CCCC2 ZINC001028151729 778521286 /nfs/dbraw/zinc/52/12/86/778521286.db2.gz HIRWMXBVLQZOSP-CYBMUJFWSA-N 1 2 336.867 2.246 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC3(C2)CCC[N@@H+]([C@@H](C)c2nnc(C)[nH]2)C3)C1 ZINC000982001158 778832101 /nfs/dbraw/zinc/83/21/01/778832101.db2.gz UQAUAIHWYBKWQD-AWEZNQCLSA-N 1 2 343.475 2.455 20 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ZINC001083326983 780231740 /nfs/dbraw/zinc/23/17/40/780231740.db2.gz XLLOLTNAGWVSRU-SJORKVTESA-N 1 2 347.484 2.251 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)CC3CCCCC3)[C@@H](O)C2)s1 ZINC001083326983 780231749 /nfs/dbraw/zinc/23/17/49/780231749.db2.gz XLLOLTNAGWVSRU-SJORKVTESA-N 1 2 347.484 2.251 20 30 EEEDLO CCOC(=O)Cn1cc(C[N@H+](C)C[C@H](C)C#N)c(-c2cccnc2)n1 ZINC000893995802 780373411 /nfs/dbraw/zinc/37/34/11/780373411.db2.gz SRINECFQOVNJTJ-CQSZACIVSA-N 1 2 341.415 2.100 20 30 EEEDLO CCOC(=O)Cn1cc(C[N@@H+](C)C[C@H](C)C#N)c(-c2cccnc2)n1 ZINC000893995802 780373419 /nfs/dbraw/zinc/37/34/19/780373419.db2.gz SRINECFQOVNJTJ-CQSZACIVSA-N 1 2 341.415 2.100 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)C=C2CCCCC2)[C@@H](O)C1 ZINC001083361939 780999301 /nfs/dbraw/zinc/99/93/01/780999301.db2.gz MGIBSQPUWYYSJZ-MOPGFXCFSA-N 1 2 339.439 2.110 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)C=C2CCCCC2)[C@@H](O)C1 ZINC001083361939 780999306 /nfs/dbraw/zinc/99/93/06/780999306.db2.gz 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CC[C@@H]1[C@@H](NC(=O)c2cnns2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001087512028 781615817 /nfs/dbraw/zinc/61/58/17/781615817.db2.gz WAQZSLTYCHQGPB-QWHCGFSZSA-N 1 2 347.469 2.254 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)c2cnns2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001087512028 781615819 /nfs/dbraw/zinc/61/58/19/781615819.db2.gz WAQZSLTYCHQGPB-QWHCGFSZSA-N 1 2 347.469 2.254 20 30 EEEDLO Cc1nc(C[N@H+]2C[C@H](NC(=O)CSCC#N)CC[C@@H]2C)c(C)o1 ZINC001131831092 783327478 /nfs/dbraw/zinc/32/74/78/783327478.db2.gz YDYQWEHGLGIGFT-SMDDNHRTSA-N 1 2 336.461 2.017 20 30 EEEDLO Cc1nc(C[N@@H+]2C[C@H](NC(=O)CSCC#N)CC[C@@H]2C)c(C)o1 ZINC001131831092 783327482 /nfs/dbraw/zinc/32/74/82/783327482.db2.gz YDYQWEHGLGIGFT-SMDDNHRTSA-N 1 2 336.461 2.017 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3[nH]ncc3C(F)(F)F)[C@@H]2C1 ZINC001075867937 783488855 /nfs/dbraw/zinc/48/88/55/783488855.db2.gz PAZRFPKEPRYXSL-GXSJLCMTSA-N 1 2 348.756 2.327 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3[nH]ncc3C(F)(F)F)[C@@H]2C1 ZINC001075867937 783488861 /nfs/dbraw/zinc/48/88/61/783488861.db2.gz PAZRFPKEPRYXSL-GXSJLCMTSA-N 1 2 348.756 2.327 20 30 EEEDLO Cc1nc(N[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)ccc1C#N ZINC001063406862 790947434 /nfs/dbraw/zinc/94/74/34/790947434.db2.gz OOBRAQIXMRPTRG-SHTZXODSSA-N 1 2 338.415 2.067 20 30 EEEDLO C=CCOCC(=O)N1CCC(OC2C[NH+](Cc3ccccc3)C2)CC1 ZINC001105697014 783965870 /nfs/dbraw/zinc/96/58/70/783965870.db2.gz KRWADQNBUNKEGX-UHFFFAOYSA-N 1 2 344.455 2.081 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2sc(Cl)nc2C)C1 ZINC001035382115 784415767 /nfs/dbraw/zinc/41/57/67/784415767.db2.gz YGJGJTORSUUGRT-NSHDSACASA-N 1 2 329.853 2.112 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2sc(Cl)nc2C)C1 ZINC001035382115 784415774 /nfs/dbraw/zinc/41/57/74/784415774.db2.gz YGJGJTORSUUGRT-NSHDSACASA-N 1 2 329.853 2.112 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C3CCCCC3)n[nH]2)C1 ZINC001035400079 784445713 /nfs/dbraw/zinc/44/57/13/784445713.db2.gz YLUZAKDGTCQIOY-HNNXBMFYSA-N 1 2 332.448 2.074 20 30 EEEDLO 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784686101 /nfs/dbraw/zinc/68/61/01/784686101.db2.gz QFYJOKZMVVKKST-QGZVFWFLSA-N 1 2 332.444 2.400 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C)c(OCC)c2)C1 ZINC001035531152 784686104 /nfs/dbraw/zinc/68/61/04/784686104.db2.gz QFYJOKZMVVKKST-QGZVFWFLSA-N 1 2 332.444 2.400 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Br)co2)C1 ZINC001035532585 784688017 /nfs/dbraw/zinc/68/80/17/784688017.db2.gz HLYBIDHSRNNNGO-GFCCVEGCSA-N 1 2 343.221 2.049 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(Br)co2)C1 ZINC001035532585 784688024 /nfs/dbraw/zinc/68/80/24/784688024.db2.gz HLYBIDHSRNNNGO-GFCCVEGCSA-N 1 2 343.221 2.049 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2OCC(C)C)C1 ZINC001035550058 784719261 /nfs/dbraw/zinc/71/92/61/784719261.db2.gz JMKWZGKYGBZZOZ-QGZVFWFLSA-N 1 2 344.455 2.175 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccccc2OCC(C)C)C1 ZINC001035550058 784719269 /nfs/dbraw/zinc/71/92/69/784719269.db2.gz JMKWZGKYGBZZOZ-QGZVFWFLSA-N 1 2 344.455 2.175 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001035555409 784725969 /nfs/dbraw/zinc/72/59/69/784725969.db2.gz HXKKOUHXUKWIQZ-QGZVFWFLSA-N 1 2 325.412 2.160 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001035555409 784725976 /nfs/dbraw/zinc/72/59/76/784725976.db2.gz HXKKOUHXUKWIQZ-QGZVFWFLSA-N 1 2 325.412 2.160 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2sc(CC3CC3)nc2C)C1 ZINC001035561931 784735849 /nfs/dbraw/zinc/73/58/49/784735849.db2.gz FQZRRRITAKVNED-AWEZNQCLSA-N 1 2 335.473 2.021 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2sc(CC3CC3)nc2C)C1 ZINC001035561931 784735856 /nfs/dbraw/zinc/73/58/56/784735856.db2.gz FQZRRRITAKVNED-AWEZNQCLSA-N 1 2 335.473 2.021 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cccc(OCC(C)C)c2)C1 ZINC001035598341 784754082 /nfs/dbraw/zinc/75/40/82/784754082.db2.gz WHAAAYKTHQMRED-GOSISDBHSA-N 1 2 332.444 2.338 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cccc(OCC(C)C)c2)C1 ZINC001035598341 784754086 /nfs/dbraw/zinc/75/40/86/784754086.db2.gz 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CN(C)C(=O)COc1ccc(C(=O)/C=C\c2ccc(N)[nH+]c2)cc1 ZINC000821032404 786566512 /nfs/dbraw/zinc/56/65/12/786566512.db2.gz TYVJZNBDFLMMCJ-OQFOIZHKSA-N 1 2 325.368 2.027 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)s3)C[C@@H]2O)CC1 ZINC001090545954 786812808 /nfs/dbraw/zinc/81/28/08/786812808.db2.gz KUAHOEYTCOPVEI-HOTGVXAUSA-N 1 2 349.500 2.249 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)s3)C[C@@H]2O)CC1 ZINC001090545954 786812815 /nfs/dbraw/zinc/81/28/15/786812815.db2.gz KUAHOEYTCOPVEI-HOTGVXAUSA-N 1 2 349.500 2.249 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cc(C)cc(C)c2)[C@@H](O)C1 ZINC001090543865 786828955 /nfs/dbraw/zinc/82/89/55/786828955.db2.gz OZNNDDBJKAEEEZ-SJORKVTESA-N 1 2 336.863 2.150 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc(C)cc(C)c2)[C@@H](O)C1 ZINC001090543865 786828967 /nfs/dbraw/zinc/82/89/67/786828967.db2.gz OZNNDDBJKAEEEZ-SJORKVTESA-N 1 2 336.863 2.150 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2Cl)[C@H](O)C1 ZINC001090588032 787097550 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787843855 /nfs/dbraw/zinc/84/38/55/787843855.db2.gz JJTIHBYGMPVVJS-SNAWJCMRSA-N 1 2 335.411 2.094 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001090733584 787939400 /nfs/dbraw/zinc/93/94/00/787939400.db2.gz RDDJOCAKWYHONX-XNRPHZJLSA-N 1 2 344.459 2.194 20 30 EEEDLO C=CCCC(=O)N[C@H]1C[N@@H+](Cc2cc(C)on2)CC2(CCOCC2)C1 ZINC001099570746 787974125 /nfs/dbraw/zinc/97/41/25/787974125.db2.gz URAYVSYQPOPFSZ-QGZVFWFLSA-N 1 2 347.459 2.437 20 30 EEEDLO C=CCCC(=O)N[C@H]1C[N@H+](Cc2cc(C)on2)CC2(CCOCC2)C1 ZINC001099570746 787974132 /nfs/dbraw/zinc/97/41/32/787974132.db2.gz URAYVSYQPOPFSZ-QGZVFWFLSA-N 1 2 347.459 2.437 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c3ccccc23)[C@H](O)C1 ZINC001090752431 788073889 /nfs/dbraw/zinc/07/38/89/788073889.db2.gz UHFDLIKSTDAZIQ-IAGOWNOFSA-N 1 2 347.846 2.014 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c3ccccc23)[C@H](O)C1 ZINC001090752431 788073901 /nfs/dbraw/zinc/07/39/01/788073901.db2.gz 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C[C@H](C#N)C(=O)NC[C@@]1(C)C[N@@H+](Cc2cc3ccccc3o2)CCO1 ZINC001107818561 788563912 /nfs/dbraw/zinc/56/39/12/788563912.db2.gz BTRQSVZFVVLVAB-KUHUBIRLSA-N 1 2 341.411 2.300 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CF)CCOCC1)C2 ZINC001109719919 805903366 /nfs/dbraw/zinc/90/33/66/805903366.db2.gz QUGNKSZFHFBMTG-RDBSUJKOSA-N 1 2 330.831 2.227 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CF)CCOCC1)C2 ZINC001109719919 805903371 /nfs/dbraw/zinc/90/33/71/805903371.db2.gz QUGNKSZFHFBMTG-RDBSUJKOSA-N 1 2 330.831 2.227 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2c(F)cc(F)cc2F)C1 ZINC001108171429 788846349 /nfs/dbraw/zinc/84/63/49/788846349.db2.gz IHCRNPNIBCPEEN-MRXNPFEDSA-N 1 2 328.334 2.111 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2c(F)cc(F)cc2F)C1 ZINC001108171429 788846358 /nfs/dbraw/zinc/84/63/58/788846358.db2.gz IHCRNPNIBCPEEN-MRXNPFEDSA-N 1 2 328.334 2.111 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(C)c(C)s2)C[C@H]1OC ZINC001212143294 788993991 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C=CCS(=O)(=O)CC[NH2+][C@H](c1ccc(OC)cc1)c1ccccn1 ZINC000846163018 790067614 /nfs/dbraw/zinc/06/76/14/790067614.db2.gz KDACPHIKSYJDCP-GOSISDBHSA-N 1 2 346.452 2.370 20 30 EEEDLO Cc1nc(N2CC[C@@H]3CCN(C(=O)C#CC(C)C)C[C@@H]32)c(C)c(C)[nH+]1 ZINC001091212299 790124157 /nfs/dbraw/zinc/12/41/57/790124157.db2.gz BNBKZHFZEYITBX-ROUUACIJSA-N 1 2 340.471 2.488 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CC[N@H+](CC=C(Cl)Cl)C[C@@H]2O)CCC1 ZINC001099876817 791179102 /nfs/dbraw/zinc/17/91/02/791179102.db2.gz KVDOWQURMAXDIZ-OLZOCXBDSA-N 1 2 345.270 2.050 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CC[N@@H+](CC=C(Cl)Cl)C[C@@H]2O)CCC1 ZINC001099876817 791179095 /nfs/dbraw/zinc/17/90/95/791179095.db2.gz KVDOWQURMAXDIZ-OLZOCXBDSA-N 1 2 345.270 2.050 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001106067392 791276474 /nfs/dbraw/zinc/27/64/74/791276474.db2.gz VYCBVHJYSLXLCK-ZFWWWQNUSA-N 1 2 346.475 2.155 20 30 EEEDLO Cc1nc(NCC[C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001063831656 791801552 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2.014 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(CC)n1C)C2 ZINC001148131895 792179211 /nfs/dbraw/zinc/17/92/11/792179211.db2.gz WNMYMZBTQOCZIN-OAHLLOKOSA-N 1 2 345.491 2.014 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3cnon3)C[C@@]2(C)C1 ZINC001091702297 792290173 /nfs/dbraw/zinc/29/01/73/792290173.db2.gz VRUMHMZYTLXBLP-WBMJQRKESA-N 1 2 338.839 2.129 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3cnon3)C[C@@]2(C)C1 ZINC001091702297 792290177 /nfs/dbraw/zinc/29/01/77/792290177.db2.gz VRUMHMZYTLXBLP-WBMJQRKESA-N 1 2 338.839 2.129 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nncn1C)C2 ZINC001148372712 792400836 /nfs/dbraw/zinc/40/08/36/792400836.db2.gz ZZLIJZLVPZZNNK-CQSZACIVSA-N 1 2 331.464 2.013 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nncn1C)C2 ZINC001148372712 792400841 /nfs/dbraw/zinc/40/08/41/792400841.db2.gz ZZLIJZLVPZZNNK-CQSZACIVSA-N 1 2 331.464 2.013 20 30 EEEDLO C=CC[NH2+][C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)CC[C@H]1C(F)(F)F 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C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ncccc1Cl)c1nccn12 ZINC001092409547 793958743 /nfs/dbraw/zinc/95/87/43/793958743.db2.gz UKRACJRHDYYRHT-CYBMUJFWSA-N 1 2 343.818 2.003 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(F)c(C)cc2F)[C@@H](O)C1 ZINC001090337021 794017978 /nfs/dbraw/zinc/01/79/78/794017978.db2.gz BOFLDXDKKKFEFE-GJZGRUSLSA-N 1 2 344.789 2.191 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)c(C)cc2F)[C@@H](O)C1 ZINC001090337021 794017987 /nfs/dbraw/zinc/01/79/87/794017987.db2.gz BOFLDXDKKKFEFE-GJZGRUSLSA-N 1 2 344.789 2.191 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnoc1C ZINC001032673314 794055918 /nfs/dbraw/zinc/05/59/18/794055918.db2.gz KDJPYLQCFGJOKU-XSLAGTTESA-N 1 2 345.443 2.139 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnoc1C ZINC001032673314 794055924 /nfs/dbraw/zinc/05/59/24/794055924.db2.gz KDJPYLQCFGJOKU-XSLAGTTESA-N 1 2 345.443 2.139 20 30 EEEDLO CCC1(C(=O)NC[C@]2(C)C[N@H+](Cc3ccc(C#N)cc3)CCO2)CC1 ZINC001108191375 794063320 /nfs/dbraw/zinc/06/33/20/794063320.db2.gz DFIOMFQLYMJTEI-LJQANCHMSA-N 1 2 341.455 2.456 20 30 EEEDLO CCC1(C(=O)NC[C@]2(C)C[N@@H+](Cc3ccc(C#N)cc3)CCO2)CC1 ZINC001108191375 794063328 /nfs/dbraw/zinc/06/33/28/794063328.db2.gz DFIOMFQLYMJTEI-LJQANCHMSA-N 1 2 341.455 2.456 20 30 EEEDLO C=C(C)CCC(=O)NC[C@]1(C)CN(c2nc(C)[nH+]c(C)c2C)CCO1 ZINC001092760348 794311042 /nfs/dbraw/zinc/31/10/42/794311042.db2.gz JLFMDIGQGPZBRN-LJQANCHMSA-N 1 2 346.475 2.470 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CC=CCC3)[C@@H](O)C2)s1 ZINC001083702430 794383946 /nfs/dbraw/zinc/38/39/46/794383946.db2.gz GAYHPIZUXDFAOL-XYPHTWIQSA-N 1 2 345.468 2.027 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CC=CCC3)[C@@H](O)C2)s1 ZINC001083702430 794383954 /nfs/dbraw/zinc/38/39/54/794383954.db2.gz GAYHPIZUXDFAOL-XYPHTWIQSA-N 1 2 345.468 2.027 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2C)on1 ZINC001079412965 794710190 /nfs/dbraw/zinc/71/01/90/794710190.db2.gz JAVWYGJBKOADQD-BDJLRTHQSA-N 1 2 342.374 2.244 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2C)on1 ZINC001079412965 794710195 /nfs/dbraw/zinc/71/01/95/794710195.db2.gz JAVWYGJBKOADQD-BDJLRTHQSA-N 1 2 342.374 2.244 20 30 EEEDLO C=CCCC(=O)N(CC)C1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001079470937 794807982 /nfs/dbraw/zinc/80/79/82/794807982.db2.gz IEHBJWKTOXKDDH-UHFFFAOYSA-N 1 2 340.427 2.282 20 30 EEEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@@H]1CCOC1 ZINC001079477661 794818434 /nfs/dbraw/zinc/81/84/34/794818434.db2.gz NVQKCHQWZHAJEE-QGPMSJSTSA-N 1 2 346.858 2.165 20 30 EEEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@@H]1CCOC1 ZINC001079477661 794818442 /nfs/dbraw/zinc/81/84/42/794818442.db2.gz NVQKCHQWZHAJEE-QGPMSJSTSA-N 1 2 346.858 2.165 20 30 EEEDLO C[C@@H](C[C@H](C)Nc1ccc(C#N)cn1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001089306164 795151516 /nfs/dbraw/zinc/15/15/16/795151516.db2.gz OBODTMDAIHSNFZ-STQMWFEESA-N 1 2 326.404 2.004 20 30 EEEDLO 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ZINC001110180834 798004119 /nfs/dbraw/zinc/00/41/19/798004119.db2.gz DHELHGDKDORJHF-ILXRZTDVSA-N 1 2 335.473 2.266 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCOC3)[C@@H]2C1 ZINC001084228855 798090274 /nfs/dbraw/zinc/09/02/74/798090274.db2.gz UIWVKPNFRQBVPI-GUDVDZBRSA-N 1 2 339.439 2.018 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCOC3)[C@@H]2C1 ZINC001084228855 798090282 /nfs/dbraw/zinc/09/02/82/798090282.db2.gz UIWVKPNFRQBVPI-GUDVDZBRSA-N 1 2 339.439 2.018 20 30 EEEDLO Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)s1 ZINC001002620861 798333906 /nfs/dbraw/zinc/33/39/06/798333906.db2.gz QKECXCRMCYZCAI-JTQLQIEISA-N 1 2 344.444 2.002 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(C)n(C)n4)C[C@H]32)C1 ZINC001084646132 798336810 /nfs/dbraw/zinc/33/68/10/798336810.db2.gz UZEZGXIPDXYJQS-NVXWUHKLSA-N 1 2 328.460 2.118 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](Cc4cc(C)n(C)n4)C[C@H]32)C1 ZINC001084646132 798336817 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/nfs/dbraw/zinc/63/33/52/798633352.db2.gz RCGWJRCCHWXXQX-IAGOWNOFSA-N 1 2 334.464 2.295 20 30 EEEDLO N#Cc1cc(N)c(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1C#N ZINC001176967583 798662536 /nfs/dbraw/zinc/66/25/36/798662536.db2.gz QAQVDUATFMZYKT-CYBMUJFWSA-N 1 2 346.394 2.262 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)C=C(CC)CC)C[C@@H]21 ZINC001176983456 798673294 /nfs/dbraw/zinc/67/32/94/798673294.db2.gz UFRDMZMPTZWSDV-ZWKOTPCHSA-N 1 2 336.476 2.237 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C=C(CC)CC)C[C@@H]21 ZINC001176983456 798673295 /nfs/dbraw/zinc/67/32/95/798673295.db2.gz UFRDMZMPTZWSDV-ZWKOTPCHSA-N 1 2 336.476 2.237 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](CCOCCCC)[C@H]2C1 ZINC001177061226 798721949 /nfs/dbraw/zinc/72/19/49/798721949.db2.gz JRYVOYNKJMQVTO-IRXDYDNUSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](CCOCCCC)[C@H]2C1 ZINC001177061226 798721952 /nfs/dbraw/zinc/72/19/52/798721952.db2.gz JRYVOYNKJMQVTO-IRXDYDNUSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC(C)=C(C)C)C[C@H]21 ZINC001177072287 798727021 /nfs/dbraw/zinc/72/70/21/798727021.db2.gz CRGUZFANQWKEGB-QZTJIDSGSA-N 1 2 336.476 2.237 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC(C)=C(C)C)C[C@H]21 ZINC001177072287 798727023 /nfs/dbraw/zinc/72/70/23/798727023.db2.gz CRGUZFANQWKEGB-QZTJIDSGSA-N 1 2 336.476 2.237 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@@H]3OCC[N@@H+](CC(=C)C)[C@@H]3C2)CCOCC1 ZINC001177138490 798767646 /nfs/dbraw/zinc/76/76/46/798767646.db2.gz LWBMUAAIINMWIY-MSOLQXFVSA-N 1 2 348.487 2.237 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@@H]3OCC[N@H+](CC(=C)C)[C@@H]3C2)CCOCC1 ZINC001177138490 798767649 /nfs/dbraw/zinc/76/76/49/798767649.db2.gz LWBMUAAIINMWIY-MSOLQXFVSA-N 1 2 348.487 2.237 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCCCC)C[C@@H]21 ZINC001177143572 798769999 /nfs/dbraw/zinc/76/99/99/798769999.db2.gz GATJRBXYCPGOCE-ZWKOTPCHSA-N 1 2 338.492 2.461 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCCCC)C[C@@H]21 ZINC001177143572 798770003 /nfs/dbraw/zinc/77/00/03/798770003.db2.gz GATJRBXYCPGOCE-ZWKOTPCHSA-N 1 2 338.492 2.461 20 30 EEEDLO C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)[C@@H](C)CC)C1 ZINC001177506989 798992330 /nfs/dbraw/zinc/99/23/30/798992330.db2.gz BQKHWYNBFVLOOT-KRWDZBQOSA-N 1 2 328.456 2.131 20 30 EEEDLO C=CCC1(C(=O)N2CC[NH+]([C@H]3CCN(C(=O)C(C)C)C3)CC2)CCC1 ZINC001065686872 799305494 /nfs/dbraw/zinc/30/54/94/799305494.db2.gz URZQXCNDPFNUDR-KRWDZBQOSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C(C)CCC(=O)NCC[NH2+][C@H](C)c1ncc(Br)cn1 ZINC001128409066 799310043 /nfs/dbraw/zinc/31/00/43/799310043.db2.gz RPEVMNZGSBACEN-LLVKDONJSA-N 1 2 341.253 2.362 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H](C)C(C)(C)C)CC2)C1 ZINC001065695121 799374789 /nfs/dbraw/zinc/37/47/89/799374789.db2.gz REGXXJROMQZTOC-SJORKVTESA-N 1 2 349.519 2.380 20 30 EEEDLO C[C@H](Nc1cccc(F)c1C#N)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001065723269 799398738 /nfs/dbraw/zinc/39/87/38/799398738.db2.gz MNZVIPUSKPZGGZ-KBPBESRZSA-N 1 2 341.390 2.243 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)C(F)(F)F)c2C1 ZINC001128443852 799533513 /nfs/dbraw/zinc/53/35/13/799533513.db2.gz QSRMETWLRJQADI-LLVKDONJSA-N 1 2 330.354 2.089 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)C(F)(F)F)c2C1 ZINC001128443852 799533516 /nfs/dbraw/zinc/53/35/16/799533516.db2.gz QSRMETWLRJQADI-LLVKDONJSA-N 1 2 330.354 2.089 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001065972383 799819898 /nfs/dbraw/zinc/81/98/98/799819898.db2.gz NCHSHIZCIVJKNG-HUUCEWRRSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001065972383 799819905 /nfs/dbraw/zinc/81/99/05/799819905.db2.gz NCHSHIZCIVJKNG-HUUCEWRRSA-N 1 2 332.448 2.052 20 30 EEEDLO C#Cc1cncc(C(=O)NC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1 ZINC001003595038 799860467 /nfs/dbraw/zinc/86/04/67/799860467.db2.gz ZQPJKEVVBADOGS-UHFFFAOYSA-N 1 2 338.411 2.062 20 30 EEEDLO C#CCCCCC(=O)N1CCC[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001066113469 800022818 /nfs/dbraw/zinc/02/28/18/800022818.db2.gz NIVKDNUSTGJELW-INIZCTEOSA-N 1 2 344.459 2.033 20 30 EEEDLO C=CCCC(=O)N(C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001078875413 800034060 /nfs/dbraw/zinc/03/40/60/800034060.db2.gz BHCILXOHZOHODM-MRXNPFEDSA-N 1 2 332.448 2.079 20 30 EEEDLO CN(C(=O)C[C@@H]1CCOC1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032967230 800583296 /nfs/dbraw/zinc/58/32/96/800583296.db2.gz LHLHODWUYSYZGQ-KSSFIOAISA-N 1 2 345.418 2.157 20 30 EEEDLO CN(C(=O)C[C@@H]1CCOC1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032967230 800583300 /nfs/dbraw/zinc/58/33/00/800583300.db2.gz LHLHODWUYSYZGQ-KSSFIOAISA-N 1 2 345.418 2.157 20 30 EEEDLO CCc1ocnc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001032971457 800588162 /nfs/dbraw/zinc/58/81/62/800588162.db2.gz ZQOVAWDHTMAVEN-MRXNPFEDSA-N 1 2 338.411 2.455 20 30 EEEDLO CCc1ocnc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001032971457 800588168 /nfs/dbraw/zinc/58/81/68/800588168.db2.gz ZQOVAWDHTMAVEN-MRXNPFEDSA-N 1 2 338.411 2.455 20 30 EEEDLO CCc1nc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)co1 ZINC001085555131 800758766 /nfs/dbraw/zinc/75/87/66/800758766.db2.gz MQYQJPGRFYOPEV-MRXNPFEDSA-N 1 2 338.411 2.455 20 30 EEEDLO CCc1nc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)co1 ZINC001085555131 800758773 /nfs/dbraw/zinc/75/87/73/800758773.db2.gz MQYQJPGRFYOPEV-MRXNPFEDSA-N 1 2 338.411 2.455 20 30 EEEDLO N#Cc1ccccc1CC(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001181800054 800909140 /nfs/dbraw/zinc/90/91/40/800909140.db2.gz TWIKJFRZXXMHAN-MRXNPFEDSA-N 1 2 333.382 2.433 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-c2cc[nH]n2)s1 ZINC001085657248 800981614 /nfs/dbraw/zinc/98/16/14/800981614.db2.gz MIIVFGBNUMRMSR-CYBMUJFWSA-N 1 2 328.441 2.308 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-c2cc[nH]n2)s1 ZINC001085657248 800981619 /nfs/dbraw/zinc/98/16/19/800981619.db2.gz MIIVFGBNUMRMSR-CYBMUJFWSA-N 1 2 328.441 2.308 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001033087281 801546057 /nfs/dbraw/zinc/54/60/57/801546057.db2.gz ULKFKEOHESATRJ-OAGGEKHMSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001033087281 801546060 /nfs/dbraw/zinc/54/60/60/801546060.db2.gz ULKFKEOHESATRJ-OAGGEKHMSA-N 1 2 349.500 2.465 20 30 EEEDLO Cc1[nH]nc(Cl)c1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004445273 802058705 /nfs/dbraw/zinc/05/87/05/802058705.db2.gz GBJNJKCJNYBASZ-ZDUSSCGKSA-N 1 2 335.839 2.212 20 30 EEEDLO Cc1[nH]nc(Cl)c1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004445273 802058711 /nfs/dbraw/zinc/05/87/11/802058711.db2.gz GBJNJKCJNYBASZ-ZDUSSCGKSA-N 1 2 335.839 2.212 20 30 EEEDLO CCCn1nccc1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004447035 802067072 /nfs/dbraw/zinc/06/70/72/802067072.db2.gz OEVXEMHOHOERLX-MRXNPFEDSA-N 1 2 329.448 2.133 20 30 EEEDLO CCCn1nccc1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004447035 802067075 /nfs/dbraw/zinc/06/70/75/802067075.db2.gz OEVXEMHOHOERLX-MRXNPFEDSA-N 1 2 329.448 2.133 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnc3ccccn23)CC1 ZINC001004472565 802161729 /nfs/dbraw/zinc/16/17/29/802161729.db2.gz GKABJAHXDBTDSR-MRXNPFEDSA-N 1 2 337.427 2.174 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnc3ccccn23)CC1 ZINC001004472565 802161733 /nfs/dbraw/zinc/16/17/33/802161733.db2.gz GKABJAHXDBTDSR-MRXNPFEDSA-N 1 2 337.427 2.174 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001185056741 802306868 /nfs/dbraw/zinc/30/68/68/802306868.db2.gz UCHIMWUMXFIYNM-GHMZBOCLSA-N 1 2 328.363 2.300 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2noc3c2CCCC3)CC1 ZINC001004546450 802344545 /nfs/dbraw/zinc/34/45/45/802344545.db2.gz JJGVVXBZLRYFIV-INIZCTEOSA-N 1 2 342.443 2.394 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2noc3c2CCCC3)CC1 ZINC001004546450 802344552 /nfs/dbraw/zinc/34/45/52/802344552.db2.gz JJGVVXBZLRYFIV-INIZCTEOSA-N 1 2 342.443 2.394 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001066422551 802350928 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N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@H]2CCCOC2)CC1 ZINC001004588630 802408139 /nfs/dbraw/zinc/40/81/39/802408139.db2.gz AZEPVGUVINDSMO-AEFFLSMTSA-N 1 2 333.476 2.420 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3oc(=O)[nH]c3c2)C1 ZINC001033172236 802737672 /nfs/dbraw/zinc/73/76/72/802737672.db2.gz FEENMCVNJKSBBW-GFCCVEGCSA-N 1 2 335.791 2.432 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3oc(=O)[nH]c3c2)C1 ZINC001033172236 802737674 /nfs/dbraw/zinc/73/76/74/802737674.db2.gz FEENMCVNJKSBBW-GFCCVEGCSA-N 1 2 335.791 2.432 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2scnc2C(C)(C)C)C1 ZINC001108265506 802770984 /nfs/dbraw/zinc/77/09/84/802770984.db2.gz DXYXFBWDVMDSKR-KRWDZBQOSA-N 1 2 337.489 2.447 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2scnc2C(C)(C)C)C1 ZINC001108265506 802770988 /nfs/dbraw/zinc/77/09/88/802770988.db2.gz DXYXFBWDVMDSKR-KRWDZBQOSA-N 1 2 337.489 2.447 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)c3cccnc3)c2C1 ZINC001128554976 802994580 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C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-c3cn[nH]c3)cn2)C1 ZINC001033201456 803196765 /nfs/dbraw/zinc/19/67/65/803196765.db2.gz DCSITEMBSBVMRR-OAHLLOKOSA-N 1 2 345.834 2.371 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-c3cn[nH]c3)cn2)C1 ZINC001033201456 803196771 /nfs/dbraw/zinc/19/67/71/803196771.db2.gz DCSITEMBSBVMRR-OAHLLOKOSA-N 1 2 345.834 2.371 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001066560941 803203891 /nfs/dbraw/zinc/20/38/91/803203891.db2.gz BIBNFJZSWUIXJN-CABCVRRESA-N 1 2 332.448 2.052 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnn(C3CCCCC3)c2)C1 ZINC001108327626 803297316 /nfs/dbraw/zinc/29/73/16/803297316.db2.gz OSRYEJBJXHIVEM-LJQANCHMSA-N 1 2 346.475 2.395 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnn(C3CCCCC3)c2)C1 ZINC001108327626 803297321 /nfs/dbraw/zinc/29/73/21/803297321.db2.gz OSRYEJBJXHIVEM-LJQANCHMSA-N 1 2 346.475 2.395 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCOc2cc(C)ccc2C)C1 ZINC001108378897 803402469 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/nfs/dbraw/zinc/36/05/99/1107360599.db2.gz YYCJFKPAHLPCDJ-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO Cc1nc[nH]c1C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001493451692 1108178983 /nfs/dbraw/zinc/17/89/83/1108178983.db2.gz BNWCERCXDVXMMY-UHFFFAOYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1nc[nH]c1C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001493451692 1108178991 /nfs/dbraw/zinc/17/89/91/1108178991.db2.gz BNWCERCXDVXMMY-UHFFFAOYSA-N 1 2 341.390 2.123 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001520252083 1119140188 /nfs/dbraw/zinc/14/01/88/1119140188.db2.gz HCRPXUZDPUDMDD-OWCLPIDISA-N 1 2 345.491 2.338 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001520252083 1119140190 /nfs/dbraw/zinc/14/01/90/1119140190.db2.gz HCRPXUZDPUDMDD-OWCLPIDISA-N 1 2 345.491 2.338 20 30 EEEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1CC(C)C ZINC001524837632 1120231973 /nfs/dbraw/zinc/23/19/73/1120231973.db2.gz NHTYECHGODJUSX-HZPDHXFCSA-N 1 2 333.480 2.174 20 30 EEEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1CC(C)C ZINC001524837632 1120231978 /nfs/dbraw/zinc/23/19/78/1120231978.db2.gz NHTYECHGODJUSX-HZPDHXFCSA-N 1 2 333.480 2.174 20 30 EEEDLO Cn1c[nH+]cc1CCCOC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC001525848463 1120364373 /nfs/dbraw/zinc/36/43/73/1120364373.db2.gz XVCHXGLRIIMQEE-GOSISDBHSA-N 1 2 338.411 2.437 20 30 EEEDLO Cc1noc(C2CC[NH+](CC(=O)Nc3oc(C)c(C)c3C#N)CC2)n1 ZINC000054677906 214250720 /nfs/dbraw/zinc/25/07/20/214250720.db2.gz ONNYAZBZQSHYJJ-UHFFFAOYSA-N 1 2 343.387 2.278 20 30 EEEDLO O=C(Nc1ccc(C(F)(F)F)nc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000328909994 539764195 /nfs/dbraw/zinc/76/41/95/539764195.db2.gz NDHJBNIIFJHWCX-GFCCVEGCSA-N 1 2 344.337 2.052 20 30 EEEDLO COCC[N@H+](Cc1cncs1)Cc1cnc2ccc(C#N)cn12 ZINC000448362886 242396612 /nfs/dbraw/zinc/39/66/12/242396612.db2.gz AKIYQZHNMLZPQC-UHFFFAOYSA-N 1 2 327.413 2.311 20 30 EEEDLO COCC[N@@H+](Cc1cncs1)Cc1cnc2ccc(C#N)cn12 ZINC000448362886 242396617 /nfs/dbraw/zinc/39/66/17/242396617.db2.gz AKIYQZHNMLZPQC-UHFFFAOYSA-N 1 2 327.413 2.311 20 30 EEEDLO COCCN(Cc1cncs1)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000448362886 242396619 /nfs/dbraw/zinc/39/66/19/242396619.db2.gz AKIYQZHNMLZPQC-UHFFFAOYSA-N 1 2 327.413 2.311 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)CC1(CC#N)CC1 ZINC000451221400 243037494 /nfs/dbraw/zinc/03/74/94/243037494.db2.gz YQZXCUATKXWRCG-MRXNPFEDSA-N 1 2 347.484 2.216 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)CC1(CC#N)CC1 ZINC000451221400 243037500 /nfs/dbraw/zinc/03/75/00/243037500.db2.gz YQZXCUATKXWRCG-MRXNPFEDSA-N 1 2 347.484 2.216 20 30 EEEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1nc2c(s1)CCC2 ZINC000459631947 245194158 /nfs/dbraw/zinc/19/41/58/245194158.db2.gz MLFDLZDQBDWRSE-BONVTDFDSA-N 1 2 326.425 2.381 20 30 EEEDLO C#C[C@@H](CCC)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000491633155 246091247 /nfs/dbraw/zinc/09/12/47/246091247.db2.gz INLVWQRDFRLEDT-INIZCTEOSA-N 1 2 338.411 2.444 20 30 EEEDLO C#CCOc1ccc(C[NH+]2CCN(c3nc(C)ns3)CC2)cc1 ZINC000093663533 218240807 /nfs/dbraw/zinc/24/08/07/218240807.db2.gz FLLBIUDFIVLUCD-UHFFFAOYSA-N 1 2 328.441 2.181 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000435024886 269703483 /nfs/dbraw/zinc/70/34/83/269703483.db2.gz UREXRKJPLSXUFQ-ZWKOTPCHSA-N 1 2 344.411 2.042 20 30 EEEDLO COc1ccc([C@@H](CNc2ccc(C#N)nc2)[NH+]2CCOCC2)cc1 ZINC000267325558 256049518 /nfs/dbraw/zinc/04/95/18/256049518.db2.gz AYXQOMMYKHOPHR-LJQANCHMSA-N 1 2 338.411 2.447 20 30 EEEDLO C#C[C@H](CC)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000491651019 533304207 /nfs/dbraw/zinc/30/42/07/533304207.db2.gz CUWGTLJPHJBMLG-IXDOHACOSA-N 1 2 349.862 2.423 20 30 EEEDLO C#C[C@H](CC)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000491651019 533304213 /nfs/dbraw/zinc/30/42/13/533304213.db2.gz CUWGTLJPHJBMLG-IXDOHACOSA-N 1 2 349.862 2.423 20 30 EEEDLO N#Cc1ccc(SCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000071940048 159037522 /nfs/dbraw/zinc/03/75/22/159037522.db2.gz SAQUVGNHMAGREB-UHFFFAOYSA-N 1 2 338.436 2.394 20 30 EEEDLO N#Cc1cccc(NC(=O)C[NH+]2CCN(c3cccc(O)c3)CC2)c1 ZINC000120702814 159395140 /nfs/dbraw/zinc/39/51/40/159395140.db2.gz KHTQUNCAVVXPAR-UHFFFAOYSA-N 1 2 336.395 2.025 20 30 EEEDLO C[C@H](c1nnnn1C1CC1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344116053 161200015 /nfs/dbraw/zinc/20/00/15/161200015.db2.gz AUVNDUUJUAXYJL-CYBMUJFWSA-N 1 2 326.404 2.089 20 30 EEEDLO C[C@H](c1nnnn1C1CC1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344116053 161200016 /nfs/dbraw/zinc/20/00/16/161200016.db2.gz AUVNDUUJUAXYJL-CYBMUJFWSA-N 1 2 326.404 2.089 20 30 EEEDLO N#Cc1ccc(SCC(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1 ZINC000374373350 167028029 /nfs/dbraw/zinc/02/80/29/167028029.db2.gz IAENJWJAQWUXAD-QGZVFWFLSA-N 1 2 338.436 2.218 20 30 EEEDLO C#CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000490593534 270020978 /nfs/dbraw/zinc/02/09/78/270020978.db2.gz BSHZRGOESSSTTA-UHFFFAOYSA-N 1 2 335.382 2.449 20 30 EEEDLO C#CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000490593534 270020979 /nfs/dbraw/zinc/02/09/79/270020979.db2.gz BSHZRGOESSSTTA-UHFFFAOYSA-N 1 2 335.382 2.449 20 30 EEEDLO CC(C)OCC[NH+]1CCN(C(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000285942270 265869560 /nfs/dbraw/zinc/86/95/60/265869560.db2.gz DLIIDGAETNXXGA-UHFFFAOYSA-N 1 2 335.835 2.394 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329462681 267144191 /nfs/dbraw/zinc/14/41/91/267144191.db2.gz SYJHJJNUNZCKEH-IUODEOHRSA-N 1 2 348.834 2.205 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329462681 267144192 /nfs/dbraw/zinc/14/41/92/267144192.db2.gz SYJHJJNUNZCKEH-IUODEOHRSA-N 1 2 348.834 2.205 20 30 EEEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000299033727 268282209 /nfs/dbraw/zinc/28/22/09/268282209.db2.gz ILRAHTVTLHHXQF-UHFFFAOYSA-N 1 2 335.407 2.395 20 30 EEEDLO N#Cc1cccc([N+](=O)[O-])c1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000425206748 268294283 /nfs/dbraw/zinc/29/42/83/268294283.db2.gz KDIDOFBHYSLUNB-UHFFFAOYSA-N 1 2 325.328 2.442 20 30 EEEDLO CCc1cncc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000279023267 269256608 /nfs/dbraw/zinc/25/66/08/269256608.db2.gz VBZFFOXZEBNOFP-UHFFFAOYSA-N 1 2 334.423 2.474 20 30 EEEDLO CCc1cc(N)nc(SC[C@@H](O)COc2ccc(C#N)cc2)[nH+]1 ZINC000279031479 269257830 /nfs/dbraw/zinc/25/78/30/269257830.db2.gz DLWGZQHJXHMIIX-ZDUSSCGKSA-N 1 2 330.413 2.025 20 30 EEEDLO Cc1oc(C#N)cc1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000280852670 269393833 /nfs/dbraw/zinc/39/38/33/269393833.db2.gz YQZREPBTWXFLJW-UHFFFAOYSA-N 1 2 338.411 2.459 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2C)[C@H]1CC ZINC001087678930 782048748 /nfs/dbraw/zinc/04/87/48/782048748.db2.gz MLPZMJJNYUGZTH-QWHCGFSZSA-N 1 2 341.253 2.209 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2C)[C@H]1CC ZINC001087678930 782048755 /nfs/dbraw/zinc/04/87/55/782048755.db2.gz MLPZMJJNYUGZTH-QWHCGFSZSA-N 1 2 341.253 2.209 20 30 EEEDLO CC(=O)N1CC[C@@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c2ccccc21 ZINC000339761988 275465895 /nfs/dbraw/zinc/46/58/95/275465895.db2.gz VGZBGNUHMGHXIC-IEBWSBKVSA-N 1 2 348.406 2.172 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000352033879 303200518 /nfs/dbraw/zinc/20/05/18/303200518.db2.gz WPXHJHLNZZEBBY-UYAOXDASSA-N 1 2 333.391 2.216 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000352033879 303200519 /nfs/dbraw/zinc/20/05/19/303200519.db2.gz WPXHJHLNZZEBBY-UYAOXDASSA-N 1 2 333.391 2.216 20 30 EEEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2nnc3ccccn32)c1C#N ZINC000542582946 318132882 /nfs/dbraw/zinc/13/28/82/318132882.db2.gz PRIJXPREZQLOOH-GFCCVEGCSA-N 1 2 335.367 2.238 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cccc(C#N)n2)CC1 ZINC000566198075 319258931 /nfs/dbraw/zinc/25/89/31/319258931.db2.gz GGQPZHCMVQHSNR-CQSZACIVSA-N 1 2 336.399 2.259 20 30 EEEDLO COC(=O)c1cccc(C[NH2+][C@@H](CO)c2ccc(F)cc2)c1C#N ZINC000581745749 324314893 /nfs/dbraw/zinc/31/48/93/324314893.db2.gz QYQPDKNSLSBBJX-KRWDZBQOSA-N 1 2 328.343 2.307 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2F)[C@H]1CC ZINC001087715544 782116354 /nfs/dbraw/zinc/11/63/54/782116354.db2.gz OGGSURAHKMXTFU-WDEREUQCSA-N 1 2 345.216 2.040 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2F)[C@H]1CC ZINC001087715544 782116360 /nfs/dbraw/zinc/11/63/60/782116360.db2.gz OGGSURAHKMXTFU-WDEREUQCSA-N 1 2 345.216 2.040 20 30 EEEDLO CN(Cc1[nH]cc[nH+]1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000347495065 465056879 /nfs/dbraw/zinc/05/68/79/465056879.db2.gz JRSQIGUGWYEIHM-UHFFFAOYSA-N 1 2 339.399 2.095 20 30 EEEDLO O=C(N[C@H]1CCCNC1=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000328850844 465146323 /nfs/dbraw/zinc/14/63/23/465146323.db2.gz UVBSFAVHOLXAFA-JKSUJKDBSA-N 1 2 331.416 2.260 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000297417522 465255235 /nfs/dbraw/zinc/25/52/35/465255235.db2.gz MBTXFGRGHKIDNP-ZDUSSCGKSA-N 1 2 346.431 2.342 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000297417522 465255242 /nfs/dbraw/zinc/25/52/42/465255242.db2.gz MBTXFGRGHKIDNP-ZDUSSCGKSA-N 1 2 346.431 2.342 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1=O ZINC000337231774 465258021 /nfs/dbraw/zinc/25/80/21/465258021.db2.gz UXHQBYGTFPLXLZ-DOTOQJQBSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1=O ZINC000337231774 465258026 /nfs/dbraw/zinc/25/80/26/465258026.db2.gz UXHQBYGTFPLXLZ-DOTOQJQBSA-N 1 2 329.444 2.349 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000342021286 465285429 /nfs/dbraw/zinc/28/54/29/465285429.db2.gz QWHZCGAFUQVDKW-AWEZNQCLSA-N 1 2 333.407 2.255 20 30 EEEDLO C=C[C@H]1CCCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000356058550 465289424 /nfs/dbraw/zinc/28/94/24/465289424.db2.gz OZDLLHFYLVWPLW-HOTGVXAUSA-N 1 2 332.448 2.050 20 30 EEEDLO C=C[C@H]1CCCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000356058550 465289426 /nfs/dbraw/zinc/28/94/26/465289426.db2.gz OZDLLHFYLVWPLW-HOTGVXAUSA-N 1 2 332.448 2.050 20 30 EEEDLO CCc1cnccc1[C@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000329310492 465296321 /nfs/dbraw/zinc/29/63/21/465296321.db2.gz ZLICCYQFMMNYEZ-HLLBOEOZSA-N 1 2 346.475 2.414 20 30 EEEDLO CC(=O)[C@@H](NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)C(C)C ZINC000347996242 465358887 /nfs/dbraw/zinc/35/88/87/465358887.db2.gz SGEQXPJMSSFMBS-FQEVSTJZSA-N 1 2 339.439 2.377 20 30 EEEDLO CC(=O)[C@@H](NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)C(C)C ZINC000347996242 465358893 /nfs/dbraw/zinc/35/88/93/465358893.db2.gz SGEQXPJMSSFMBS-FQEVSTJZSA-N 1 2 339.439 2.377 20 30 EEEDLO Nc1nc(C2CCCC2)ncc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329513612 465359402 /nfs/dbraw/zinc/35/94/02/465359402.db2.gz CPFSYDURUUXJLW-NSHDSACASA-N 1 2 326.404 2.302 20 30 EEEDLO Nc1nc(C2CCCC2)ncc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329513612 465359406 /nfs/dbraw/zinc/35/94/06/465359406.db2.gz CPFSYDURUUXJLW-NSHDSACASA-N 1 2 326.404 2.302 20 30 EEEDLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000329537946 465365557 /nfs/dbraw/zinc/36/55/57/465365557.db2.gz VFEOFLWJSMXWNA-OAHLLOKOSA-N 1 2 330.388 2.150 20 30 EEEDLO CC[N@H+](CC(=O)NC1(C#N)CCCCC1)CC(=O)N1CCCCCC1 ZINC000552028719 468300224 /nfs/dbraw/zinc/30/02/24/468300224.db2.gz HPDKXDLXLQVLDT-UHFFFAOYSA-N 1 2 348.491 2.054 20 30 EEEDLO CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)CC(=O)N1CCCCCC1 ZINC000552028719 468300229 /nfs/dbraw/zinc/30/02/29/468300229.db2.gz HPDKXDLXLQVLDT-UHFFFAOYSA-N 1 2 348.491 2.054 20 30 EEEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000060464931 462551950 /nfs/dbraw/zinc/55/19/50/462551950.db2.gz ZKRLWKVQZSJFHV-UHFFFAOYSA-N 1 2 341.436 2.457 20 30 EEEDLO N#Cc1cc(F)c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(F)c1 ZINC000152620845 462558130 /nfs/dbraw/zinc/55/81/30/462558130.db2.gz FFPHBKWPUKOWSL-GFCCVEGCSA-N 1 2 328.322 2.240 20 30 EEEDLO C=CC[N@@H+](CC(=O)NC(=O)NCC(C)C)Cc1cccc(C#N)c1 ZINC000063300831 462639702 /nfs/dbraw/zinc/63/97/02/462639702.db2.gz FJEGRLSHEMHWJW-UHFFFAOYSA-N 1 2 328.416 2.028 20 30 EEEDLO C=CC[N@H+](CC(=O)NC(=O)NCC(C)C)Cc1cccc(C#N)c1 ZINC000063300831 462639707 /nfs/dbraw/zinc/63/97/07/462639707.db2.gz FJEGRLSHEMHWJW-UHFFFAOYSA-N 1 2 328.416 2.028 20 30 EEEDLO N#Cc1ccc(OCC[NH+]2CCN(CC(F)(F)C(F)F)CC2)cc1 ZINC000114490663 462656033 /nfs/dbraw/zinc/65/60/33/462656033.db2.gz ZYXSLVJKRKKKKB-UHFFFAOYSA-N 1 2 345.340 2.455 20 30 EEEDLO C=CCN(C(=O)C[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000066863216 462937444 /nfs/dbraw/zinc/93/74/44/462937444.db2.gz LGZZECJAOIULJB-UHFFFAOYSA-N 1 2 336.439 2.423 20 30 EEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1cn2ccccc2[nH+]1 ZINC000156173765 462989929 /nfs/dbraw/zinc/98/99/29/462989929.db2.gz BHYPAWKGLQRYBY-UHFFFAOYSA-N 1 2 346.799 2.338 20 30 EEEDLO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c2[nH+]ccn21 ZINC000590763366 468331491 /nfs/dbraw/zinc/33/14/91/468331491.db2.gz NQUZVEANKYNGQN-RNCFNFMXSA-N 1 2 336.804 2.392 20 30 EEEDLO C=C(Cl)CNC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000077790260 463048575 /nfs/dbraw/zinc/04/85/75/463048575.db2.gz UMAHODBCBORJAS-MRXNPFEDSA-N 1 2 337.851 2.420 20 30 EEEDLO COCCc1noc(C[N@H+](C)CCCOc2cccc(C#N)c2)n1 ZINC000156706686 463059267 /nfs/dbraw/zinc/05/92/67/463059267.db2.gz ACPOSCIAOIJQOO-UHFFFAOYSA-N 1 2 330.388 2.031 20 30 EEEDLO COCCc1noc(C[N@@H+](C)CCCOc2cccc(C#N)c2)n1 ZINC000156706686 463059270 /nfs/dbraw/zinc/05/92/70/463059270.db2.gz ACPOSCIAOIJQOO-UHFFFAOYSA-N 1 2 330.388 2.031 20 30 EEEDLO COc1ccc(Cl)cc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078719905 463142778 /nfs/dbraw/zinc/14/27/78/463142778.db2.gz UBVUFMFYBWVSRW-UHFFFAOYSA-N 1 2 337.851 2.396 20 30 EEEDLO CCOc1ccc(NC(=O)CO[NH+]=C(N)Cc2csc(C)n2)cc1 ZINC000054391113 463232499 /nfs/dbraw/zinc/23/24/99/463232499.db2.gz UZKGRHSPXCGVEW-UHFFFAOYSA-N 1 2 348.428 2.320 20 30 EEEDLO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029858375 463276684 /nfs/dbraw/zinc/27/66/84/463276684.db2.gz SVTRJBUKSAQQPJ-ZDUSSCGKSA-N 1 2 332.423 2.123 20 30 EEEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Br)o1 ZINC000030215287 463290368 /nfs/dbraw/zinc/29/03/68/463290368.db2.gz ZRCLVDIIIBNVHT-CQSZACIVSA-N 1 2 340.221 2.282 20 30 EEEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Br)o1 ZINC000030215287 463290373 /nfs/dbraw/zinc/29/03/73/463290373.db2.gz ZRCLVDIIIBNVHT-CQSZACIVSA-N 1 2 340.221 2.282 20 30 EEEDLO CC(C)[C@@H](C#N)N1CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000071897194 463460985 /nfs/dbraw/zinc/46/09/85/463460985.db2.gz GCOQLQIWRWNXLE-CYBMUJFWSA-N 1 2 329.370 2.111 20 30 EEEDLO N#Cc1csc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000084069490 463575496 /nfs/dbraw/zinc/57/54/96/463575496.db2.gz AOTZNGDSHSKOLU-UHFFFAOYSA-N 1 2 333.457 2.385 20 30 EEEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000108846729 463625625 /nfs/dbraw/zinc/62/56/25/463625625.db2.gz ZIFCICDXDRJWPV-AEFFLSMTSA-N 1 2 340.471 2.375 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2csc(C)n2)CC1 ZINC000073741025 463651157 /nfs/dbraw/zinc/65/11/57/463651157.db2.gz HAZZVLNYSGLPLM-HNNXBMFYSA-N 1 2 348.516 2.158 20 30 EEEDLO CN1CC[NH+]([C@@H](C(=O)N2CCC(CC#N)CC2)c2ccccc2)CC1 ZINC000541050143 468375990 /nfs/dbraw/zinc/37/59/90/468375990.db2.gz ZSKVOEPPJOHBJO-LJQANCHMSA-N 1 2 340.471 2.127 20 30 EEEDLO Cn1ccc(/C=C/C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000276871150 463788860 /nfs/dbraw/zinc/78/88/60/463788860.db2.gz HFVVILHESUUATP-VOTSOKGWSA-N 1 2 334.423 2.254 20 30 EEEDLO C=C(C)Cn1c(C)nnc1N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000283304327 463838519 /nfs/dbraw/zinc/83/85/19/463838519.db2.gz PEJHGWKXPDKBAD-UHFFFAOYSA-N 1 2 334.493 2.166 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCc2cc(-c3cnn(C)c3C)no2)cs1 ZINC000185796508 463880950 /nfs/dbraw/zinc/88/09/50/463880950.db2.gz OZMAVXANHKEBEM-UHFFFAOYSA-N 1 2 346.416 2.180 20 30 EEEDLO C=CCOc1ccc(CNC(=O)NCC[N@H+]2CCOCC2(C)C)cc1 ZINC000287372938 463882332 /nfs/dbraw/zinc/88/23/32/463882332.db2.gz IZNZMJBSVVOLBA-UHFFFAOYSA-N 1 2 347.459 2.161 20 30 EEEDLO C=CCOc1ccc(CNC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1 ZINC000287372938 463882340 /nfs/dbraw/zinc/88/23/40/463882340.db2.gz IZNZMJBSVVOLBA-UHFFFAOYSA-N 1 2 347.459 2.161 20 30 EEEDLO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cscn1 ZINC000277226947 463905948 /nfs/dbraw/zinc/90/59/48/463905948.db2.gz LTXKJRXXKVNKII-WFASDCNBSA-N 1 2 326.425 2.466 20 30 EEEDLO N#CCC[C@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000277654040 463925131 /nfs/dbraw/zinc/92/51/31/463925131.db2.gz YOSUQYXPICCAMK-KRWDZBQOSA-N 1 2 342.443 2.195 20 30 EEEDLO N#CC1(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CCOCC1 ZINC000172011203 463967940 /nfs/dbraw/zinc/96/79/40/463967940.db2.gz ZLNSLLIGROYVSN-QPJJXVBHSA-N 1 2 339.439 2.164 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000278488529 463968259 /nfs/dbraw/zinc/96/82/59/463968259.db2.gz LEFGDMOQOFRDMQ-RTBURBONSA-N 1 2 344.455 2.191 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186681167 464048169 /nfs/dbraw/zinc/04/81/69/464048169.db2.gz XWRNYJJNIPISBV-RBUKOAKNSA-N 1 2 327.428 2.172 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186681167 464048170 /nfs/dbraw/zinc/04/81/70/464048170.db2.gz XWRNYJJNIPISBV-RBUKOAKNSA-N 1 2 327.428 2.172 20 30 EEEDLO COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000269665807 464052384 /nfs/dbraw/zinc/05/23/84/464052384.db2.gz QAIDXZQWEXJPPS-ZDUSSCGKSA-N 1 2 347.440 2.268 20 30 EEEDLO COC(=O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000269665807 464052387 /nfs/dbraw/zinc/05/23/87/464052387.db2.gz QAIDXZQWEXJPPS-ZDUSSCGKSA-N 1 2 347.440 2.268 20 30 EEEDLO Cc1ccccc1C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289240846 464071466 /nfs/dbraw/zinc/07/14/66/464071466.db2.gz MVLWNYIAQZFUCD-UHFFFAOYSA-N 1 2 329.425 2.167 20 30 EEEDLO Cc1ccccc1C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289240846 464071471 /nfs/dbraw/zinc/07/14/71/464071471.db2.gz MVLWNYIAQZFUCD-UHFFFAOYSA-N 1 2 329.425 2.167 20 30 EEEDLO C[C@@H](NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1)c1ccc2ccccc2c1 ZINC000284036666 464072974 /nfs/dbraw/zinc/07/29/74/464072974.db2.gz ITBDVGTWZCIIED-DYVFJYSZSA-N 1 2 341.411 2.485 20 30 EEEDLO C=CCOc1ccc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1OC ZINC000279258844 464081900 /nfs/dbraw/zinc/08/19/00/464081900.db2.gz IBBUMYSCJYLGAR-OAHLLOKOSA-N 1 2 348.443 2.053 20 30 EEEDLO CC1(CO)CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000186961779 464084239 /nfs/dbraw/zinc/08/42/39/464084239.db2.gz ZUGBUNXPJIQXIK-UHFFFAOYSA-N 1 2 333.457 2.335 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc([N+](=O)[O-])c(OC)c2O)n1 ZINC000279407751 464099780 /nfs/dbraw/zinc/09/97/80/464099780.db2.gz NJTLKZPNDPPCTM-UHFFFAOYSA-N 1 2 344.371 2.161 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc([N+](=O)[O-])c(OC)c2O)n1 ZINC000279407751 464099784 /nfs/dbraw/zinc/09/97/84/464099784.db2.gz NJTLKZPNDPPCTM-UHFFFAOYSA-N 1 2 344.371 2.161 20 30 EEEDLO C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)C(=O)NC1(C#N)CCCCC1 ZINC000172613674 464117951 /nfs/dbraw/zinc/11/79/51/464117951.db2.gz CYOJWHFMTNXJHV-UONOGXRCSA-N 1 2 340.431 2.111 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000591020238 468394722 /nfs/dbraw/zinc/39/47/22/468394722.db2.gz YVYCRAGRRMCNIB-QZTJIDSGSA-N 1 2 326.444 2.106 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000270121872 464192442 /nfs/dbraw/zinc/19/24/42/464192442.db2.gz GUPZAVLPGAVKHA-UHFFFAOYSA-N 1 2 342.830 2.307 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)nc1 ZINC000179986829 464218773 /nfs/dbraw/zinc/21/87/73/464218773.db2.gz ODFMEYQKLTVXPE-UHFFFAOYSA-N 1 2 348.454 2.271 20 30 EEEDLO CCc1nocc1C[N@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000293341370 464401894 /nfs/dbraw/zinc/40/18/94/464401894.db2.gz HDCJAOXGQYGTRW-CQSZACIVSA-N 1 2 330.413 2.407 20 30 EEEDLO CCc1nocc1C[N@@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000293341370 464401895 /nfs/dbraw/zinc/40/18/95/464401895.db2.gz HDCJAOXGQYGTRW-CQSZACIVSA-N 1 2 330.413 2.407 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2c2nc(C(=O)OC)c(C)s2)C1=O ZINC000281294563 464403561 /nfs/dbraw/zinc/40/35/61/464403561.db2.gz JLGVCUBIXYWMFH-STQMWFEESA-N 1 2 349.456 2.162 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2nc(C(=O)OC)c(C)s2)C1=O ZINC000281294563 464403570 /nfs/dbraw/zinc/40/35/70/464403570.db2.gz JLGVCUBIXYWMFH-STQMWFEESA-N 1 2 349.456 2.162 20 30 EEEDLO C=CCOCC[N@@H+](CC(=O)NC)Cc1cccc(C(F)(F)F)c1 ZINC000293787984 464421618 /nfs/dbraw/zinc/42/16/18/464421618.db2.gz MGMVPCOCUIVEOL-UHFFFAOYSA-N 1 2 330.350 2.456 20 30 EEEDLO C=CCOCC[N@H+](CC(=O)NC)Cc1cccc(C(F)(F)F)c1 ZINC000293787984 464421620 /nfs/dbraw/zinc/42/16/20/464421620.db2.gz MGMVPCOCUIVEOL-UHFFFAOYSA-N 1 2 330.350 2.456 20 30 EEEDLO CC#CCCCC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000546645568 468408149 /nfs/dbraw/zinc/40/81/49/468408149.db2.gz YMUJNEWQEULSLY-MRXNPFEDSA-N 1 2 333.501 2.346 20 30 EEEDLO CC(C)(C)[C@@](C)(C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000272459358 464620552 /nfs/dbraw/zinc/62/05/52/464620552.db2.gz YABLFFJPXSKBRE-VQIMIIECSA-N 1 2 329.444 2.332 20 30 EEEDLO CC(C)(C)[C@@](C)(C#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000272459358 464620557 /nfs/dbraw/zinc/62/05/57/464620557.db2.gz YABLFFJPXSKBRE-VQIMIIECSA-N 1 2 329.444 2.332 20 30 EEEDLO N#Cc1nnc2ccccc2c1N1CC[NH+](Cc2cccnc2)CC1 ZINC000265829172 464701491 /nfs/dbraw/zinc/70/14/91/464701491.db2.gz YLMYKFGQJWHONU-UHFFFAOYSA-N 1 2 330.395 2.219 20 30 EEEDLO CN1CCC[C@H]([NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000547771195 468420309 /nfs/dbraw/zinc/42/03/09/468420309.db2.gz RKCNZGQVKYGFHN-DLBZAZTESA-N 1 2 346.862 2.143 20 30 EEEDLO C=CC[NH+]1CCC(NCc2c(Cl)cccc2S(C)(=O)=O)CC1 ZINC000273381615 464713170 /nfs/dbraw/zinc/71/31/70/464713170.db2.gz FZXBHTNJJOJXQC-UHFFFAOYSA-N 1 2 342.892 2.484 20 30 EEEDLO COc1cccc2c1CC[N@H+](CC(=O)NC1(C#N)CCCCC1)C2 ZINC000182718699 464715949 /nfs/dbraw/zinc/71/59/49/464715949.db2.gz KITJCMZEXVJHFX-UHFFFAOYSA-N 1 2 327.428 2.396 20 30 EEEDLO COc1cccc2c1CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)C2 ZINC000182718699 464715954 /nfs/dbraw/zinc/71/59/54/464715954.db2.gz KITJCMZEXVJHFX-UHFFFAOYSA-N 1 2 327.428 2.396 20 30 EEEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nnnn1CC(F)(F)F ZINC000190838908 464731094 /nfs/dbraw/zinc/73/10/94/464731094.db2.gz QMJKNGZNHZGEPE-UHFFFAOYSA-N 1 2 325.338 2.466 20 30 EEEDLO C=CC[N@H+](CCc1ccccc1)Cc1nnnn1CC(F)(F)F ZINC000190838908 464731099 /nfs/dbraw/zinc/73/10/99/464731099.db2.gz QMJKNGZNHZGEPE-UHFFFAOYSA-N 1 2 325.338 2.466 20 30 EEEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000191076340 464773765 /nfs/dbraw/zinc/77/37/65/464773765.db2.gz NDMARQWQMYXDEA-HNNXBMFYSA-N 1 2 345.443 2.275 20 30 EEEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000191076340 464773770 /nfs/dbraw/zinc/77/37/70/464773770.db2.gz NDMARQWQMYXDEA-HNNXBMFYSA-N 1 2 345.443 2.275 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000554565018 468422455 /nfs/dbraw/zinc/42/24/55/468422455.db2.gz SZCJGFPNNLFPJE-GOSISDBHSA-N 1 2 345.406 2.037 20 30 EEEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356372609 465343187 /nfs/dbraw/zinc/34/31/87/465343187.db2.gz YJKYTMPOCFLJCU-MRXNPFEDSA-N 1 2 344.459 2.201 20 30 EEEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356372609 465343191 /nfs/dbraw/zinc/34/31/91/465343191.db2.gz YJKYTMPOCFLJCU-MRXNPFEDSA-N 1 2 344.459 2.201 20 30 EEEDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCOCC2(CC2)C1 ZINC000329479502 465346435 /nfs/dbraw/zinc/34/64/35/465346435.db2.gz VEKZGAFONJQKSW-UHFFFAOYSA-N 1 2 330.432 2.208 20 30 EEEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCOC[C@H]1C)C1CCOCC1 ZINC000329482480 465348256 /nfs/dbraw/zinc/34/82/56/465348256.db2.gz PXLODUFJJZWOEN-UKRRQHHQSA-N 1 2 336.436 2.005 20 30 EEEDLO CCn1cc[nH+]c1[C@@H](NC(=O)N1CCOC[C@H]1C)C1CCOCC1 ZINC000329482479 465348665 /nfs/dbraw/zinc/34/86/65/465348665.db2.gz PXLODUFJJZWOEN-HIFRSBDPSA-N 1 2 336.436 2.005 20 30 EEEDLO C=CC[N@@H+](CCOc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000343036237 465468278 /nfs/dbraw/zinc/46/82/78/465468278.db2.gz ZQEKZTDSBBTZPX-CYBMUJFWSA-N 1 2 329.849 2.394 20 30 EEEDLO C=CC[N@H+](CCOc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000343036237 465468283 /nfs/dbraw/zinc/46/82/83/465468283.db2.gz ZQEKZTDSBBTZPX-CYBMUJFWSA-N 1 2 329.849 2.394 20 30 EEEDLO Cn1c[nH+]cc1CCC(=O)NC1CCN(C(=O)NC(C)(C)C)CC1 ZINC000330046590 465516204 /nfs/dbraw/zinc/51/62/04/465516204.db2.gz HBHHGIUBRQBVFS-UHFFFAOYSA-N 1 2 335.452 2.486 20 30 EEEDLO N#CC1(F)CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000352462967 465532272 /nfs/dbraw/zinc/53/22/72/465532272.db2.gz HAXVPRNURZCGSS-CQSZACIVSA-N 1 2 332.335 2.028 20 30 EEEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C[C@H](C)[S@@]1=O ZINC000330101495 465533412 /nfs/dbraw/zinc/53/34/12/465533412.db2.gz FNGMBSQSTAYKGP-SSVBQZQLSA-N 1 2 338.429 2.235 20 30 EEEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C[C@H](C)[S@@]1=O ZINC000330101495 465533416 /nfs/dbraw/zinc/53/34/16/465533416.db2.gz FNGMBSQSTAYKGP-SSVBQZQLSA-N 1 2 338.429 2.235 20 30 EEEDLO CC[C@]1(O)CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000330277793 465594917 /nfs/dbraw/zinc/59/49/17/465594917.db2.gz OUIVWKFIPLZEOZ-ACJLOTCBSA-N 1 2 334.464 2.256 20 30 EEEDLO N#Cc1cccc(CCNc2[nH+]cnc3c2cnn3-c2ncccn2)c1 ZINC000344580994 465693061 /nfs/dbraw/zinc/69/30/61/465693061.db2.gz JAGYYORYYKYZGM-UHFFFAOYSA-N 1 2 342.366 2.132 20 30 EEEDLO CCC(C#N)(CC)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000600089834 468454914 /nfs/dbraw/zinc/45/49/14/468454914.db2.gz MKJNSSPPZXQMAC-MSOLQXFVSA-N 1 2 341.455 2.428 20 30 EEEDLO CCC(C#N)(CC)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000600089834 468454915 /nfs/dbraw/zinc/45/49/15/468454915.db2.gz MKJNSSPPZXQMAC-MSOLQXFVSA-N 1 2 341.455 2.428 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC3CCSCC3)CC2)cc1 ZINC000299639871 465835916 /nfs/dbraw/zinc/83/59/16/465835916.db2.gz PYGJYYZUQSPBDD-UHFFFAOYSA-N 1 2 344.484 2.281 20 30 EEEDLO COc1ccc(C(=O)N2CC[NH+](CCC(C)(C)C#N)CC2)c(OC)c1 ZINC000345706669 465895274 /nfs/dbraw/zinc/89/52/74/465895274.db2.gz GKLFTDDJQMTVJO-UHFFFAOYSA-N 1 2 345.443 2.401 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000345756243 465897986 /nfs/dbraw/zinc/89/79/86/465897986.db2.gz AGNBRWPWYXBDFR-AWEZNQCLSA-N 1 2 346.862 2.413 20 30 EEEDLO N#CC1(c2ccc(C(=O)N3CC[NH2+][C@@H](c4ccncc4)C3)cc2)CC1 ZINC000367093848 466126855 /nfs/dbraw/zinc/12/68/55/466126855.db2.gz VIHWJZFKOWPIRV-GOSISDBHSA-N 1 2 332.407 2.423 20 30 EEEDLO CCc1ccccc1O[C@H](C)C(=O)N1CC[NH+](CCCC#N)CC1 ZINC000346999689 466306762 /nfs/dbraw/zinc/30/67/62/466306762.db2.gz ZLJGXTPTOJEBAZ-MRXNPFEDSA-N 1 2 329.444 2.464 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000309732490 466502469 /nfs/dbraw/zinc/50/24/69/466502469.db2.gz PNKNXKYQIMISGZ-AWEZNQCLSA-N 1 2 347.465 2.173 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309732490 466502477 /nfs/dbraw/zinc/50/24/77/466502477.db2.gz PNKNXKYQIMISGZ-AWEZNQCLSA-N 1 2 347.465 2.173 20 30 EEEDLO C=CCCCCCNC(=O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000569472690 468496854 /nfs/dbraw/zinc/49/68/54/468496854.db2.gz QFIVDFBOHROWCK-HNNXBMFYSA-N 1 2 332.448 2.048 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000581701791 468497653 /nfs/dbraw/zinc/49/76/53/468497653.db2.gz CNWZRWSSZAOBEO-KRWDZBQOSA-N 1 2 332.404 2.466 20 30 EEEDLO COc1cc(OC)cc(C(=O)N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000332470718 466543422 /nfs/dbraw/zinc/54/34/22/466543422.db2.gz SQHALHOAPMUDFM-HOCLYGCPSA-N 1 2 343.427 2.154 20 30 EEEDLO Cc1nsc(N2CC[NH+]([C@@H](C)c3cnc(C)cn3)CC2)c1C#N ZINC000332465361 466543845 /nfs/dbraw/zinc/54/38/45/466543845.db2.gz QMSXLUHYBGHCEO-ZDUSSCGKSA-N 1 2 328.445 2.305 20 30 EEEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccccc2C#N)C1 ZINC000362132210 466577854 /nfs/dbraw/zinc/57/78/54/466577854.db2.gz SNSXWDJIBISQQY-MRXNPFEDSA-N 1 2 327.409 2.023 20 30 EEEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccccc2C#N)C1 ZINC000362132210 466577860 /nfs/dbraw/zinc/57/78/60/466577860.db2.gz SNSXWDJIBISQQY-MRXNPFEDSA-N 1 2 327.409 2.023 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372993518 466657606 /nfs/dbraw/zinc/65/76/06/466657606.db2.gz SLZMEYIMNPLYJA-HNNXBMFYSA-N 1 2 343.475 2.382 20 30 EEEDLO N#C[C@H](NC(=O)C1CC[NH+](CC(F)F)CC1)c1ccccc1F ZINC000410646205 466722605 /nfs/dbraw/zinc/72/26/05/466722605.db2.gz YIGUYYUXHANELV-AWEZNQCLSA-N 1 2 325.334 2.484 20 30 EEEDLO COC(=O)[C@@H]1CC[N@H+](CCC2(C#N)CCCCC2)[C@H](C(=O)OC)C1 ZINC000411496271 466835994 /nfs/dbraw/zinc/83/59/94/466835994.db2.gz LLWAQVMKUWWCEP-CABCVRRESA-N 1 2 336.432 2.277 20 30 EEEDLO COC(=O)[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)[C@H](C(=O)OC)C1 ZINC000411496271 466835996 /nfs/dbraw/zinc/83/59/96/466835996.db2.gz LLWAQVMKUWWCEP-CABCVRRESA-N 1 2 336.432 2.277 20 30 EEEDLO COC(=O)[C@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000412059503 466988016 /nfs/dbraw/zinc/98/80/16/466988016.db2.gz CPCCTRWDKUCERH-KPZWWZAWSA-N 1 2 347.415 2.370 20 30 EEEDLO COC(=O)[C@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000412059503 466988022 /nfs/dbraw/zinc/98/80/22/466988022.db2.gz CPCCTRWDKUCERH-KPZWWZAWSA-N 1 2 347.415 2.370 20 30 EEEDLO C=CCn1cc(C[NH2+]Cc2cc(OC)c(OCC)c(OC)c2)nn1 ZINC000424171561 466995317 /nfs/dbraw/zinc/99/53/17/466995317.db2.gz LWHXNLJQJOQZPF-UHFFFAOYSA-N 1 2 332.404 2.170 20 30 EEEDLO N#Cc1ncn(-c2ccccc2NC(=O)c2ccc3[nH+]ccn3c2)n1 ZINC000366049743 467041275 /nfs/dbraw/zinc/04/12/75/467041275.db2.gz WNCQEDXKXXULKU-UHFFFAOYSA-N 1 2 329.323 2.039 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000425413218 467093168 /nfs/dbraw/zinc/09/31/68/467093168.db2.gz GGQIOBWKHNIPPC-ROUUACIJSA-N 1 2 340.427 2.322 20 30 EEEDLO CCCc1[nH+]c(C)cc(OCC(=O)NC2(C#N)CCC2)c1C(=O)OC ZINC000419042333 467163489 /nfs/dbraw/zinc/16/34/89/467163489.db2.gz HKUFNCYYLITCHP-UHFFFAOYSA-N 1 2 345.399 2.070 20 30 EEEDLO C[C@@H](O)[C@H]1CCN(c2cc(NCCc3cccc(C#N)c3)[nH+]cn2)C1 ZINC000413263389 467200813 /nfs/dbraw/zinc/20/08/13/467200813.db2.gz HDFMYKCLEBSMRV-PBHICJAKSA-N 1 2 337.427 2.210 20 30 EEEDLO C[C@@H](O)[C@H]1CCN(c2cc(NCCc3cccc(C#N)c3)nc[nH+]2)C1 ZINC000413263389 467200814 /nfs/dbraw/zinc/20/08/14/467200814.db2.gz HDFMYKCLEBSMRV-PBHICJAKSA-N 1 2 337.427 2.210 20 30 EEEDLO CCCc1nc(C)c(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)o1 ZINC000428223019 467213755 /nfs/dbraw/zinc/21/37/55/467213755.db2.gz OJZNJJFNGKLHFF-ZDUSSCGKSA-N 1 2 340.431 2.308 20 30 EEEDLO CCCc1nc(C)c(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)o1 ZINC000428223019 467213760 /nfs/dbraw/zinc/21/37/60/467213760.db2.gz OJZNJJFNGKLHFF-ZDUSSCGKSA-N 1 2 340.431 2.308 20 30 EEEDLO CC(C)n1cnnc1C[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000429268925 467319186 /nfs/dbraw/zinc/31/91/86/467319186.db2.gz ALDAKUOGKRKIDJ-UHFFFAOYSA-N 1 2 326.404 2.191 20 30 EEEDLO CC(C)n1cnnc1C[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000429268925 467319189 /nfs/dbraw/zinc/31/91/89/467319189.db2.gz ALDAKUOGKRKIDJ-UHFFFAOYSA-N 1 2 326.404 2.191 20 30 EEEDLO CC(C)O[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000404685988 467476667 /nfs/dbraw/zinc/47/66/67/467476667.db2.gz GHENGXONJRUACV-INIZCTEOSA-N 1 2 336.457 2.221 20 30 EEEDLO CC(C)O[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000404685988 467476669 /nfs/dbraw/zinc/47/66/69/467476669.db2.gz GHENGXONJRUACV-INIZCTEOSA-N 1 2 336.457 2.221 20 30 EEEDLO C=C(C)CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000453883339 467551906 /nfs/dbraw/zinc/55/19/06/467551906.db2.gz STVIILCTQADMPH-UHFFFAOYSA-N 1 2 326.400 2.472 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000454301925 467582696 /nfs/dbraw/zinc/58/26/96/467582696.db2.gz KOFHWIXMXGUZBX-WBVHZDCISA-N 1 2 328.416 2.378 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000457566417 467653099 /nfs/dbraw/zinc/65/30/99/467653099.db2.gz ZUDMQZVELILYTK-HZPDHXFCSA-N 1 2 346.406 2.275 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000457586281 467657169 /nfs/dbraw/zinc/65/71/69/467657169.db2.gz TVGLGTWORPQVMR-HOTGVXAUSA-N 1 2 346.406 2.275 20 30 EEEDLO C[C@@H]1C[C@]1(C#N)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000450045558 467767357 /nfs/dbraw/zinc/76/73/57/467767357.db2.gz QPQMFRJHCNKQCK-VMUDFCTBSA-N 1 2 333.457 2.176 20 30 EEEDLO C[C@@H]1C[C@]1(C#N)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000450045558 467767358 /nfs/dbraw/zinc/76/73/58/467767358.db2.gz QPQMFRJHCNKQCK-VMUDFCTBSA-N 1 2 333.457 2.176 20 30 EEEDLO C[C@@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCO1 ZINC000457390262 467813717 /nfs/dbraw/zinc/81/37/17/467813717.db2.gz PLRICXJWNSCFLQ-IBGZPJMESA-N 1 2 327.428 2.162 20 30 EEEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)[C@H](CC)CN1C(C)=O ZINC000472325162 467985512 /nfs/dbraw/zinc/98/55/12/467985512.db2.gz IZZHTGLAGHFPGE-QZTJIDSGSA-N 1 2 342.443 2.218 20 30 EEEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)[C@H](CC)CN1C(C)=O ZINC000472325162 467985513 /nfs/dbraw/zinc/98/55/13/467985513.db2.gz IZZHTGLAGHFPGE-QZTJIDSGSA-N 1 2 342.443 2.218 20 30 EEEDLO CCCCOc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1OC ZINC000517650748 468092080 /nfs/dbraw/zinc/09/20/80/468092080.db2.gz QKGKSDNBFCLJAE-GOSISDBHSA-N 1 2 333.432 2.448 20 30 EEEDLO CN(C)C(=O)OC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000496371466 468201582 /nfs/dbraw/zinc/20/15/82/468201582.db2.gz ZWRGARMBJKLWJV-UHFFFAOYSA-N 1 2 332.360 2.129 20 30 EEEDLO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCN(CCC#N)CC2)C1=O ZINC000590168781 468221317 /nfs/dbraw/zinc/22/13/17/468221317.db2.gz DUTXTMXKADGUSD-YJBOKZPZSA-N 1 2 344.434 2.019 20 30 EEEDLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccc2ccccc2c1 ZINC000592144583 468636807 /nfs/dbraw/zinc/63/68/07/468636807.db2.gz BBUOKIWACOFNFZ-QRWLVFNGSA-N 1 2 337.423 2.367 20 30 EEEDLO C[C@@H](NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccc2ccccc2c1 ZINC000592144583 468636812 /nfs/dbraw/zinc/63/68/12/468636812.db2.gz BBUOKIWACOFNFZ-QRWLVFNGSA-N 1 2 337.423 2.367 20 30 EEEDLO N#C[C@H]1CC[C@H](n2cc(C[NH+]3CCN(c4ccccc4)CC3)nn2)C1 ZINC000600972729 468701765 /nfs/dbraw/zinc/70/17/65/468701765.db2.gz DGQLYYWOTYOWAU-LPHOPBHVSA-N 1 2 336.443 2.465 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)Cc1[nH]cc[nH+]1 ZINC000595401698 468840247 /nfs/dbraw/zinc/84/02/47/468840247.db2.gz MRTXBPHUPBCZNI-CYBMUJFWSA-N 1 2 329.379 2.316 20 30 EEEDLO Cc1oc(NC(=O)C[NH2+]C(C)(C)c2nc(C)cc(=O)[nH]2)c(C#N)c1C ZINC000595520168 468886963 /nfs/dbraw/zinc/88/69/63/468886963.db2.gz NJOAPFWHUCAQGJ-UHFFFAOYSA-N 1 2 343.387 2.036 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595631830 468931931 /nfs/dbraw/zinc/93/19/31/468931931.db2.gz JDRFTINOTZXTMQ-HNNXBMFYSA-N 1 2 344.484 2.331 20 30 EEEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000598622571 468936944 /nfs/dbraw/zinc/93/69/44/468936944.db2.gz PTWLEBXSYCMPIY-HONMWMINSA-N 1 2 338.354 2.090 20 30 EEEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000598622571 468936948 /nfs/dbraw/zinc/93/69/48/468936948.db2.gz PTWLEBXSYCMPIY-HONMWMINSA-N 1 2 338.354 2.090 20 30 EEEDLO Cn1c[nH+]c(CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1 ZINC000595731018 468975090 /nfs/dbraw/zinc/97/50/90/468975090.db2.gz GAZQGWLAMYBZIN-UHFFFAOYSA-N 1 2 347.426 2.004 20 30 EEEDLO Cn1cnc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1 ZINC000595731018 468975093 /nfs/dbraw/zinc/97/50/93/468975093.db2.gz GAZQGWLAMYBZIN-UHFFFAOYSA-N 1 2 347.426 2.004 20 30 EEEDLO N#Cc1ccc([C@@H]([NH2+][C@H]2COc3c2cccc3Cl)C(N)=O)cc1 ZINC000610706383 469045616 /nfs/dbraw/zinc/04/56/16/469045616.db2.gz LKUCZVBCWJPKHI-LSDHHAIUSA-N 1 2 327.771 2.461 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000595866154 469052749 /nfs/dbraw/zinc/05/27/49/469052749.db2.gz FKJQRXGKCXUESU-UXEPBGEESA-N 1 2 339.386 2.031 20 30 EEEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598947256 469061936 /nfs/dbraw/zinc/06/19/36/469061936.db2.gz LBEWNOICJYXGPU-YJBOKZPZSA-N 1 2 338.411 2.289 20 30 EEEDLO N#Cc1cc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)ccn1 ZINC000587977205 469097475 /nfs/dbraw/zinc/09/74/75/469097475.db2.gz WJUGTUIVNXXPPQ-GOSISDBHSA-N 1 2 342.830 2.462 20 30 EEEDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000573610154 469170041 /nfs/dbraw/zinc/17/00/41/469170041.db2.gz ZDNYNKGWJZKYHT-UHFFFAOYSA-N 1 2 348.410 2.288 20 30 EEEDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000573610154 469170043 /nfs/dbraw/zinc/17/00/43/469170043.db2.gz ZDNYNKGWJZKYHT-UHFFFAOYSA-N 1 2 348.410 2.288 20 30 EEEDLO N#Cc1c(F)cccc1C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000602201286 469239732 /nfs/dbraw/zinc/23/97/32/469239732.db2.gz WVMZXEUDTYXCTI-UHFFFAOYSA-N 1 2 338.386 2.093 20 30 EEEDLO C[C@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1cccc(C#N)c1 ZINC000611389088 469239759 /nfs/dbraw/zinc/23/97/59/469239759.db2.gz QKLJKGVKLGBEBQ-LBPRGKRZSA-N 1 2 328.441 2.496 20 30 EEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC=CCC1 ZINC000611517587 469270667 /nfs/dbraw/zinc/27/06/67/469270667.db2.gz UGCRNTCZSFEHMW-UHFFFAOYSA-N 1 2 330.432 2.214 20 30 EEEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC=CCC1 ZINC000611517587 469270670 /nfs/dbraw/zinc/27/06/70/469270670.db2.gz UGCRNTCZSFEHMW-UHFFFAOYSA-N 1 2 330.432 2.214 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@](F)(C#N)C1)c1ccccc1F ZINC000615577784 469272428 /nfs/dbraw/zinc/27/24/28/469272428.db2.gz NDJQEIZUNMDQLW-PBHICJAKSA-N 1 2 345.353 2.296 20 30 EEEDLO Cc1cccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1Br ZINC000602334501 469286766 /nfs/dbraw/zinc/28/67/66/469286766.db2.gz SKJUZCRVQGBVBC-OAHLLOKOSA-N 1 2 338.249 2.260 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599649058 469322549 /nfs/dbraw/zinc/32/25/49/469322549.db2.gz XHVIVLONQUQKSP-CQSZACIVSA-N 1 2 327.428 2.481 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599649058 469322554 /nfs/dbraw/zinc/32/25/54/469322554.db2.gz XHVIVLONQUQKSP-CQSZACIVSA-N 1 2 327.428 2.481 20 30 EEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1c(C#N)cnn1-c1ccccc1 ZINC000603373798 469366423 /nfs/dbraw/zinc/36/64/23/469366423.db2.gz GEVVFSXGUVLWNG-YJBOKZPZSA-N 1 2 337.427 2.043 20 30 EEEDLO C[C@@]1(C#N)CCCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000612163668 469408886 /nfs/dbraw/zinc/40/88/86/469408886.db2.gz YSAJXMVJLLENOQ-SFHVURJKSA-N 1 2 346.500 2.018 20 30 EEEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2cccc(CC#N)c2)C1 ZINC000619493769 469625110 /nfs/dbraw/zinc/62/51/10/469625110.db2.gz TXBRZKHNTUUXRS-GOSISDBHSA-N 1 2 341.436 2.218 20 30 EEEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2cccc(CC#N)c2)C1 ZINC000619493769 469625114 /nfs/dbraw/zinc/62/51/14/469625114.db2.gz TXBRZKHNTUUXRS-GOSISDBHSA-N 1 2 341.436 2.218 20 30 EEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000619716290 469668926 /nfs/dbraw/zinc/66/89/26/469668926.db2.gz HOYQZUFULJHDLL-QGZVFWFLSA-N 1 2 348.418 2.190 20 30 EEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000619717154 469668995 /nfs/dbraw/zinc/66/89/95/469668995.db2.gz BYVZNVNWJDPLTN-CQSZACIVSA-N 1 2 328.372 2.039 20 30 EEEDLO C=C[C@H](C(=O)OC)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000619715935 469669006 /nfs/dbraw/zinc/66/90/06/469669006.db2.gz BSFDDQKPZQBIQG-OAHLLOKOSA-N 1 2 338.835 2.064 20 30 EEEDLO C=CCC[C@@H]1NC(=O)N(Cc2cc[nH+]c(N3CCSCC3)c2)C1=O ZINC000630998559 470046131 /nfs/dbraw/zinc/04/61/31/470046131.db2.gz XOFFANADKJNEBQ-AWEZNQCLSA-N 1 2 346.456 2.021 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634304255 470243287 /nfs/dbraw/zinc/24/32/87/470243287.db2.gz ZIUWVRDEXRHQLK-GOSISDBHSA-N 1 2 349.500 2.480 20 30 EEEDLO C=CCNS(=O)(=O)c1ccccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000641344363 470319398 /nfs/dbraw/zinc/31/93/98/470319398.db2.gz VBRRJSQHNWSJFW-HNNXBMFYSA-N 1 2 346.456 2.189 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(-n3nc(C)cc3C)cc2)nn1 ZINC000640960672 471139787 /nfs/dbraw/zinc/13/97/87/471139787.db2.gz OZZKDLBHQUVFEP-UHFFFAOYSA-N 1 2 334.427 2.242 20 30 EEEDLO C=CC[C@@H](C(=O)N1CC[NH+](CCOCCOC)CC1)c1ccccc1 ZINC000652998566 471446105 /nfs/dbraw/zinc/44/61/05/471446105.db2.gz RMSUVKLJPBFEJX-LJQANCHMSA-N 1 2 346.471 2.154 20 30 EEEDLO Cc1ccc(C(=O)N2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)s1 ZINC000598586792 485619815 /nfs/dbraw/zinc/61/98/15/485619815.db2.gz ZVPXECCWLOKYPK-CQSZACIVSA-N 1 2 335.473 2.115 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000131867845 534062332 /nfs/dbraw/zinc/06/23/32/534062332.db2.gz DXBSWSFZVYAQCY-NVXWUHKLSA-N 1 2 330.432 2.051 20 30 EEEDLO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000041106021 524165626 /nfs/dbraw/zinc/16/56/26/524165626.db2.gz QHSMBVTXTDNHMB-INIZCTEOSA-N 1 2 340.471 2.123 20 30 EEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000041106021 524165636 /nfs/dbraw/zinc/16/56/36/524165636.db2.gz QHSMBVTXTDNHMB-INIZCTEOSA-N 1 2 340.471 2.123 20 30 EEEDLO C=CC[NH+](CC=C)CCCS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000265163176 534828634 /nfs/dbraw/zinc/82/86/34/534828634.db2.gz WMKQBRLGTDYCKU-UHFFFAOYSA-N 1 2 336.457 2.483 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000174330148 526627921 /nfs/dbraw/zinc/62/79/21/526627921.db2.gz OSRKEOJTAZAKKG-VXGBXAGGSA-N 1 2 330.388 2.087 20 30 EEEDLO C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cc[nH+]cc2C)c1 ZINC000112496624 526659685 /nfs/dbraw/zinc/65/96/85/526659685.db2.gz WKWIVMUHNDFWHN-UHFFFAOYSA-N 1 2 331.397 2.107 20 30 EEEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(c3nnc[nH]3)CC2)c(C#N)c1C ZINC000363365089 526776708 /nfs/dbraw/zinc/77/67/08/526776708.db2.gz FMCSXOCOSAKVED-LLVKDONJSA-N 1 2 342.403 2.093 20 30 EEEDLO C=CC[C@@H](C)NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000117049288 527027733 /nfs/dbraw/zinc/02/77/33/527027733.db2.gz GCYIIZIPVZHWAL-SJLPKXTDSA-N 1 2 331.460 2.194 20 30 EEEDLO CC[N@@H+](CC(=O)N[C@H](C)c1cc(OC)ccc1OC)C[C@@H](C)C#N ZINC000353282650 527917386 /nfs/dbraw/zinc/91/73/86/527917386.db2.gz LATAMLFHQCORNC-UONOGXRCSA-N 1 2 333.432 2.363 20 30 EEEDLO CC[N@H+](CC(=O)N[C@H](C)c1cc(OC)ccc1OC)C[C@@H](C)C#N ZINC000353282650 527917391 /nfs/dbraw/zinc/91/73/91/527917391.db2.gz LATAMLFHQCORNC-UONOGXRCSA-N 1 2 333.432 2.363 20 30 EEEDLO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cc(Br)cc(Cl)c1O ZINC000779795275 575990694 /nfs/dbraw/zinc/99/06/94/575990694.db2.gz RHUXYNIVHPEHKB-ZCFIWIBFSA-N 1 2 345.628 2.469 20 30 EEEDLO C=CCNC(=S)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000728177423 576480097 /nfs/dbraw/zinc/48/00/97/576480097.db2.gz DGOZRSFLMRSMMW-INIZCTEOSA-N 1 2 333.501 2.270 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)nc1 ZINC000728803094 576531005 /nfs/dbraw/zinc/53/10/05/576531005.db2.gz OUNNWTCAGSFPQR-KRWDZBQOSA-N 1 2 334.354 2.455 20 30 EEEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cccc(-n2cnnn2)c1 ZINC000730148591 576721001 /nfs/dbraw/zinc/72/10/01/576721001.db2.gz YLALWOFOGJAVNO-UHFFFAOYSA-N 1 2 329.367 2.469 20 30 EEEDLO CCC(Cc1ccc(C)cc1)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000731924336 577135485 /nfs/dbraw/zinc/13/54/85/577135485.db2.gz DZQNLDRGKKAIAU-UHFFFAOYSA-N 1 2 348.516 2.100 20 30 EEEDLO CC[NH+](CC)[C@@H](C(=O)OCC(=O)N(C)C(C)(C)C#N)c1ccccc1 ZINC000732351229 577173950 /nfs/dbraw/zinc/17/39/50/577173950.db2.gz YBHLNYMBLBEHIG-QGZVFWFLSA-N 1 2 345.443 2.373 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)OC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000732356972 577175040 /nfs/dbraw/zinc/17/50/40/577175040.db2.gz TXTSBGMRKBUIMV-HNNXBMFYSA-N 1 2 341.411 2.318 20 30 EEEDLO C#C[C@@H]([NH2+]Cc1ccc(OC)c(O)c1Br)[C@@H]1CCCO1 ZINC000775351729 577435804 /nfs/dbraw/zinc/43/58/04/577435804.db2.gz UEBGIEFFGBBSFH-NEPJUHHUSA-N 1 2 340.217 2.434 20 30 EEEDLO CN(C)c1ccc2c(c1)NC(=O)C2=NNc1cc[nH+]c2ccccc12 ZINC000761806473 577689424 /nfs/dbraw/zinc/68/94/24/577689424.db2.gz BLHMOUILOABYPK-UHFFFAOYSA-N 1 2 331.379 2.491 20 30 EEEDLO CC(=O)c1cc(F)cc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)c1O ZINC000750820322 577743214 /nfs/dbraw/zinc/74/32/14/577743214.db2.gz OVDNFLHOIAMBFA-QGZVFWFLSA-N 1 2 333.407 2.400 20 30 EEEDLO C#CCOCCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000752758365 577775674 /nfs/dbraw/zinc/77/56/74/577775674.db2.gz PLVPILYJWAPRQQ-UHFFFAOYSA-N 1 2 336.395 2.373 20 30 EEEDLO COc1ccc(NC(=O)NC(=O)C[N@H+](CCC#N)CC(C)C)cc1 ZINC000755669718 577828926 /nfs/dbraw/zinc/82/89/26/577828926.db2.gz KVZSIWBFJVTVEF-UHFFFAOYSA-N 1 2 332.404 2.215 20 30 EEEDLO COc1ccc(NC(=O)NC(=O)C[N@@H+](CCC#N)CC(C)C)cc1 ZINC000755669718 577828927 /nfs/dbraw/zinc/82/89/27/577828927.db2.gz KVZSIWBFJVTVEF-UHFFFAOYSA-N 1 2 332.404 2.215 20 30 EEEDLO Cc1ccnc(N[NH+]=Cc2c(Cl)nc(N)nc2N2CCCC2)c1 ZINC000755907118 577833930 /nfs/dbraw/zinc/83/39/30/577833930.db2.gz UGNYHRYIHLNSRL-UHFFFAOYSA-N 1 2 331.811 2.462 20 30 EEEDLO CC(C)[C@H](C(=O)OCc1ccnc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000747065222 577938641 /nfs/dbraw/zinc/93/86/41/577938641.db2.gz UZZLMVIGZNNCBB-JKIFEVAISA-N 1 2 331.416 2.130 20 30 EEEDLO CC(C)[C@H](C(=O)OCc1ccnc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000747065222 577938642 /nfs/dbraw/zinc/93/86/42/577938642.db2.gz UZZLMVIGZNNCBB-JKIFEVAISA-N 1 2 331.416 2.130 20 30 EEEDLO C=C(Cl)C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000747812055 577950460 /nfs/dbraw/zinc/95/04/60/577950460.db2.gz PWPFCLPKKZPYTR-SNVBAGLBSA-N 1 2 338.260 2.047 20 30 EEEDLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000741148018 578113766 /nfs/dbraw/zinc/11/37/66/578113766.db2.gz NSGIWJGWKSFQPE-BBRMVZONSA-N 1 2 329.400 2.303 20 30 EEEDLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000741148018 578113767 /nfs/dbraw/zinc/11/37/67/578113767.db2.gz NSGIWJGWKSFQPE-BBRMVZONSA-N 1 2 329.400 2.303 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3cnsn3)C2)cc1 ZINC000969119727 674596223 /nfs/dbraw/zinc/59/62/23/674596223.db2.gz PQRNRSRPMAKXMS-CQSZACIVSA-N 1 2 344.440 2.107 20 30 EEEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](CC=C(Cl)Cl)C1 ZINC000969514539 675081327 /nfs/dbraw/zinc/08/13/27/675081327.db2.gz QEWHSHLRTQKYAD-SECBINFHSA-N 1 2 327.215 2.255 20 30 EEEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](Cc2c(F)cccc2F)C1 ZINC000969514251 675085631 /nfs/dbraw/zinc/08/56/31/675085631.db2.gz MEFYFUKRIVJVGQ-NSHDSACASA-N 1 2 344.365 2.415 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H](C)C1C[NH+]([C@@H](C)c2ncccn2)C1 ZINC000969836441 675239272 /nfs/dbraw/zinc/23/92/72/675239272.db2.gz MODPEDMAVJCPQS-GJZGRUSLSA-N 1 2 339.443 2.275 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cn(C)nc2C(F)F)C1 ZINC000969855333 675257515 /nfs/dbraw/zinc/25/75/15/675257515.db2.gz OPEMIYNXSBWQKK-VIFPVBQESA-N 1 2 332.782 2.160 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(N3CCCC3)ccn2)C1 ZINC000970089221 675464978 /nfs/dbraw/zinc/46/49/78/675464978.db2.gz JPHAGVBBPAZDES-CQSZACIVSA-N 1 2 348.878 2.484 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(-n3cccn3)nc2)C1 ZINC000970245305 675739700 /nfs/dbraw/zinc/73/97/00/675739700.db2.gz QZXMYMQZQILEAG-ZDUSSCGKSA-N 1 2 345.834 2.070 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001067500255 676295921 /nfs/dbraw/zinc/29/59/21/676295921.db2.gz PMKZLNSVBANGCA-UHFFFAOYSA-N 1 2 348.491 2.262 20 30 EEEDLO CS[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971106311 676376573 /nfs/dbraw/zinc/37/65/73/676376573.db2.gz COYIZFSQXBOTHG-BLLLJJGKSA-N 1 2 335.448 2.482 20 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348.495 2.137 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001059746555 688999586 /nfs/dbraw/zinc/99/95/86/688999586.db2.gz ZGQVPXUAQWDDII-INIZCTEOSA-N 1 2 346.475 2.064 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059819569 689931987 /nfs/dbraw/zinc/93/19/87/689931987.db2.gz LCGQOQJKNBDWGJ-HNNXBMFYSA-N 1 2 346.475 2.299 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059819569 689931991 /nfs/dbraw/zinc/93/19/91/689931991.db2.gz LCGQOQJKNBDWGJ-HNNXBMFYSA-N 1 2 346.475 2.299 20 30 EEEDLO Cc1ocnc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001027780243 694465974 /nfs/dbraw/zinc/46/59/74/694465974.db2.gz MPZXMPBTTWFBQU-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ocnc1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001027780243 694465982 /nfs/dbraw/zinc/46/59/82/694465982.db2.gz MPZXMPBTTWFBQU-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)[C@@H]1CCOC1 ZINC001027783637 694484459 /nfs/dbraw/zinc/48/44/59/694484459.db2.gz FZJCOGQNLZXQTB-SJORKVTESA-N 1 2 346.858 2.309 20 30 EEEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)[C@@H]1CCOC1 ZINC001027783637 694484462 /nfs/dbraw/zinc/48/44/62/694484462.db2.gz FZJCOGQNLZXQTB-SJORKVTESA-N 1 2 346.858 2.309 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2cc(C)on2)CC1(C)C ZINC000977323468 692487496 /nfs/dbraw/zinc/48/74/96/692487496.db2.gz GGACPIZIBJZTLJ-ULQDDVLXSA-N 1 2 347.459 2.291 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@@H+](Cc2cc(C)on2)CC1(C)C ZINC000977323468 692487498 /nfs/dbraw/zinc/48/74/98/692487498.db2.gz GGACPIZIBJZTLJ-ULQDDVLXSA-N 1 2 347.459 2.291 20 30 EEEDLO Cc1cc(NC[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001060002949 692515756 /nfs/dbraw/zinc/51/57/56/692515756.db2.gz GVSLMFXNNBGLAS-OCCSQVGLSA-N 1 2 327.432 2.473 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn3nccc3nc2C)C(C)(C)C1 ZINC000977425933 692617826 /nfs/dbraw/zinc/61/78/26/692617826.db2.gz SIEGRSXPFKSOQC-CQSZACIVSA-N 1 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C=C1CC(C)(C(=O)N2CCCC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000943408396 1192234834 /nfs/dbraw/zinc/23/48/34/1192234834.db2.gz JPAVRACXOXSNSI-HNNXBMFYSA-N 1 2 344.459 2.114 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3c[nH]nc3C3CC3)C2)s1 ZINC001032097516 1192459375 /nfs/dbraw/zinc/45/93/75/1192459375.db2.gz BQCNASUERNUFLG-UHFFFAOYSA-N 1 2 341.440 2.082 20 30 EEEDLO CC[C@H]1C[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CCO1 ZINC001032110949 1192585742 /nfs/dbraw/zinc/58/57/42/1192585742.db2.gz VBYWPBYLMTVLQB-LPHOPBHVSA-N 1 2 341.455 2.311 20 30 EEEDLO C=CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1)c1ccccc1 ZINC001266567797 1176860739 /nfs/dbraw/zinc/86/07/39/1176860739.db2.gz SOXNIXVLSRBZBY-DLBZAZTESA-N 1 2 340.427 2.428 20 30 EEEDLO COCCC1(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001481628260 1181934103 /nfs/dbraw/zinc/93/41/03/1181934103.db2.gz GTVUXTCLXBMCKG-UHFFFAOYSA-N 1 2 345.418 2.062 20 30 EEEDLO C[C@H](CNC(=O)C(F)C(F)(F)F)C[NH2+]Cc1ccc(C#N)cc1 ZINC001482103513 1183337470 /nfs/dbraw/zinc/33/74/70/1183337470.db2.gz VPOKNQZOIPQHEN-GXFFZTMASA-N 1 2 331.313 2.301 20 30 EEEDLO C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C[NH2+]Cc1ccc(C#N)cc1 ZINC001482103513 1183337476 /nfs/dbraw/zinc/33/74/76/1183337476.db2.gz VPOKNQZOIPQHEN-GXFFZTMASA-N 1 2 331.313 2.301 20 30 EEEDLO Cc1ccc(C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)cc1 ZINC001269803379 1184630710 /nfs/dbraw/zinc/63/07/10/1184630710.db2.gz UVGLPBBTXVMVPW-UHFFFAOYSA-N 1 2 334.423 2.163 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC001088529401 1187169550 /nfs/dbraw/zinc/16/95/50/1187169550.db2.gz UOLQGTCSCJSPJT-OCCSQVGLSA-N 1 2 341.415 2.391 20 30 EEEDLO CC(C)c1ocnc1C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC001088529401 1187169553 /nfs/dbraw/zinc/16/95/53/1187169553.db2.gz UOLQGTCSCJSPJT-OCCSQVGLSA-N 1 2 341.415 2.391 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)s1 ZINC001088533341 1187175270 /nfs/dbraw/zinc/17/52/70/1187175270.db2.gz NCKVKJHJCCKSPL-RISCZKNCSA-N 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C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001033837675 1195356306 /nfs/dbraw/zinc/35/63/06/1195356306.db2.gz NIYQZHQYFVDPTI-JZXOWHBKSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001033843858 1195372172 /nfs/dbraw/zinc/37/21/72/1195372172.db2.gz NCMOPJZYKDVOMH-HNNXBMFYSA-N 1 2 347.846 2.470 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001033843858 1195372177 /nfs/dbraw/zinc/37/21/77/1195372177.db2.gz NCMOPJZYKDVOMH-HNNXBMFYSA-N 1 2 347.846 2.470 20 30 EEEDLO C[C@@H](CCCCNc1ncc(C#N)cc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001090156700 1195513390 /nfs/dbraw/zinc/51/33/90/1195513390.db2.gz KHHJPEVDFLOUCF-LBPRGKRZSA-N 1 2 344.394 2.145 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2nccs2)C1 ZINC001033953310 1195553926 /nfs/dbraw/zinc/55/39/26/1195553926.db2.gz BKPNJFJQFIZGRX-KFWWJZLASA-N 1 2 335.473 2.157 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001033953310 1195553928 /nfs/dbraw/zinc/55/39/28/1195553928.db2.gz BKPNJFJQFIZGRX-KFWWJZLASA-N 1 2 335.473 2.157 20 30 EEEDLO C#Cc1ccc(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3nocc3C)C2)cn1 ZINC001034023201 1195677841 /nfs/dbraw/zinc/67/78/41/1195677841.db2.gz OKWHKRRWXRLJHA-QGZVFWFLSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3nocc3C)C2)cn1 ZINC001034023201 1195677844 /nfs/dbraw/zinc/67/78/44/1195677844.db2.gz OKWHKRRWXRLJHA-QGZVFWFLSA-N 1 2 338.411 2.096 20 30 EEEDLO CCN(C(=O)c1ccnc(C)n1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001034046107 1195697873 /nfs/dbraw/zinc/69/78/73/1195697873.db2.gz XIGBQMTYRIGXJG-GOSISDBHSA-N 1 2 349.438 2.393 20 30 EEEDLO CCN(C(=O)c1ccnc(C)n1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001034046107 1195697877 /nfs/dbraw/zinc/69/78/77/1195697877.db2.gz XIGBQMTYRIGXJG-GOSISDBHSA-N 1 2 349.438 2.393 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cn(C3CCC3)nn2)C1 ZINC001034210585 1195949830 /nfs/dbraw/zinc/94/98/30/1195949830.db2.gz PXWBAPIVBRXRSY-CYBMUJFWSA-N 1 2 337.855 2.340 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cn(C3CCC3)nn2)C1 ZINC001034210585 1195949833 /nfs/dbraw/zinc/94/98/33/1195949833.db2.gz PXWBAPIVBRXRSY-CYBMUJFWSA-N 1 2 337.855 2.340 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H](NC(=O)c2csnn2)C1 ZINC001034333308 1196103089 /nfs/dbraw/zinc/10/30/89/1196103089.db2.gz FXANFHIVLCNQIL-OAHLLOKOSA-N 1 2 341.440 2.194 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H](NC(=O)c2csnn2)C1 ZINC001034333308 1196103092 /nfs/dbraw/zinc/10/30/92/1196103092.db2.gz FXANFHIVLCNQIL-OAHLLOKOSA-N 1 2 341.440 2.194 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cn(CCC)nn2)C1 ZINC001034461533 1196240346 /nfs/dbraw/zinc/24/03/46/1196240346.db2.gz DDOIZKSLBPPBJN-ZDUSSCGKSA-N 1 2 325.844 2.025 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cn(CCC)nn2)C1 ZINC001034461533 1196240350 /nfs/dbraw/zinc/24/03/50/1196240350.db2.gz DDOIZKSLBPPBJN-ZDUSSCGKSA-N 1 2 325.844 2.025 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cc3cncs3)C2)ccc1F ZINC001014822365 1224402525 /nfs/dbraw/zinc/40/25/25/1224402525.db2.gz SJCINWWHQNXVLB-CQSZACIVSA-N 1 2 344.415 2.087 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cc3cncs3)C2)ccc1F ZINC001014822365 1224402532 /nfs/dbraw/zinc/40/25/32/1224402532.db2.gz SJCINWWHQNXVLB-CQSZACIVSA-N 1 2 344.415 2.087 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)cnc1OC ZINC001273216334 1197562310 /nfs/dbraw/zinc/56/23/10/1197562310.db2.gz RUWOUGUHKVJFDO-GOSISDBHSA-N 1 2 347.846 2.334 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)cnc1OC ZINC001273216334 1197562312 /nfs/dbraw/zinc/56/23/12/1197562312.db2.gz RUWOUGUHKVJFDO-GOSISDBHSA-N 1 2 347.846 2.334 20 30 EEEDLO Cc1cc(C[N@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)nn1C ZINC001132034800 1199219156 /nfs/dbraw/zinc/21/91/56/1199219156.db2.gz VLBUUTMOVDVRMU-HOCLYGCPSA-N 1 2 330.476 2.247 20 30 EEEDLO Cc1cc(C[N@@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)nn1C ZINC001132034800 1199219157 /nfs/dbraw/zinc/21/91/57/1199219157.db2.gz VLBUUTMOVDVRMU-HOCLYGCPSA-N 1 2 330.476 2.247 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001132041857 1199226984 /nfs/dbraw/zinc/22/69/84/1199226984.db2.gz LMSZQXIFKQYSAH-HOCLYGCPSA-N 1 2 349.862 2.244 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001132041857 1199226988 /nfs/dbraw/zinc/22/69/88/1199226988.db2.gz LMSZQXIFKQYSAH-HOCLYGCPSA-N 1 2 349.862 2.244 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC2CC2)C1 ZINC001132057279 1199244084 /nfs/dbraw/zinc/24/40/84/1199244084.db2.gz MJSFUYOUQJTHNE-QAPCUYQASA-N 1 2 347.503 2.250 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCC2CC2)C1 ZINC001132057279 1199244091 /nfs/dbraw/zinc/24/40/91/1199244091.db2.gz MJSFUYOUQJTHNE-QAPCUYQASA-N 1 2 347.503 2.250 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(COC)CCOCC2)CC[C@@H]1C ZINC001132101028 1199293797 /nfs/dbraw/zinc/29/37/97/1199293797.db2.gz GCAWYFFGLKZXTJ-GJZGRUSLSA-N 1 2 344.883 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(COC)CCOCC2)CC[C@@H]1C ZINC001132101028 1199293801 /nfs/dbraw/zinc/29/38/01/1199293801.db2.gz GCAWYFFGLKZXTJ-GJZGRUSLSA-N 1 2 344.883 2.151 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCc2ccco2)C1 ZINC001132257066 1199496317 /nfs/dbraw/zinc/49/63/17/1199496317.db2.gz SWHAJGARCKCZIV-HZPDHXFCSA-N 1 2 347.459 2.221 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCc2ccco2)C1 ZINC001132257066 1199496320 /nfs/dbraw/zinc/49/63/20/1199496320.db2.gz SWHAJGARCKCZIV-HZPDHXFCSA-N 1 2 347.459 2.221 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cncc(OC)n2)C1 ZINC001132255941 1199513886 /nfs/dbraw/zinc/51/38/86/1199513886.db2.gz HQOHDVUEDLSVQG-GJZGRUSLSA-N 1 2 332.448 2.311 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cncc(OC)n2)C1 ZINC001132255941 1199513888 /nfs/dbraw/zinc/51/38/88/1199513888.db2.gz HQOHDVUEDLSVQG-GJZGRUSLSA-N 1 2 332.448 2.311 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)NCC3CCC3)C2)C1 ZINC001132273805 1199521592 /nfs/dbraw/zinc/52/15/92/1199521592.db2.gz KEMHFWAYERPDLS-WBVHZDCISA-N 1 2 347.503 2.228 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)NCC3CCC3)C2)C1 ZINC001132273805 1199521599 /nfs/dbraw/zinc/52/15/99/1199521599.db2.gz KEMHFWAYERPDLS-WBVHZDCISA-N 1 2 347.503 2.228 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nn(CC)c1Cl ZINC001018287363 1224569424 /nfs/dbraw/zinc/56/94/24/1224569424.db2.gz YYVAKGVTDJJVEU-OKILXGFUSA-N 1 2 334.851 2.177 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nn(CC)c1Cl ZINC001018287363 1224569428 /nfs/dbraw/zinc/56/94/28/1224569428.db2.gz YYVAKGVTDJJVEU-OKILXGFUSA-N 1 2 334.851 2.177 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)C(CC)CC)CC[C@H]1C ZINC001132546874 1199844696 /nfs/dbraw/zinc/84/46/96/1199844696.db2.gz TUORWUPUCKZHBM-HIFRSBDPSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CNC(=O)C(CC)CC)CC[C@H]1C ZINC001132546874 1199844698 /nfs/dbraw/zinc/84/46/98/1199844698.db2.gz TUORWUPUCKZHBM-HIFRSBDPSA-N 1 2 343.899 2.260 20 30 EEEDLO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ncnn2CC)ccc1OC ZINC000877029706 1199848770 /nfs/dbraw/zinc/84/87/70/1199848770.db2.gz KYLQOKWEDCQLQF-AWEZNQCLSA-N 1 2 329.404 2.277 20 30 EEEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC000878502373 1200508873 /nfs/dbraw/zinc/50/88/73/1200508873.db2.gz BRZQEGAJWJQXSN-LBPRGKRZSA-N 1 2 340.445 2.305 20 30 EEEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC000878502373 1200508877 /nfs/dbraw/zinc/50/88/77/1200508877.db2.gz BRZQEGAJWJQXSN-LBPRGKRZSA-N 1 2 340.445 2.305 20 30 EEEDLO O=C(C#Cc1ccccc1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000870992855 1200995758 /nfs/dbraw/zinc/99/57/58/1200995758.db2.gz RGIQDJLIPUEHBK-UHFFFAOYSA-N 1 2 337.448 2.303 20 30 EEEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2nnc(Cc3ccccc3)o2)C1 ZINC001133565442 1201055720 /nfs/dbraw/zinc/05/57/20/1201055720.db2.gz BSOTVKTXLKJTCW-UHFFFAOYSA-N 1 2 340.427 2.223 20 30 EEEDLO C[NH+]1CCN(N=Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000884370726 1202303706 /nfs/dbraw/zinc/30/37/06/1202303706.db2.gz SWIADKFSDVSFAH-UHFFFAOYSA-N 1 2 332.629 2.389 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@H]2C)CC1 ZINC001011929270 1224736610 /nfs/dbraw/zinc/73/66/10/1224736610.db2.gz GVPRUXJWXXIWNR-RDJZCZTQSA-N 1 2 344.459 2.125 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cnc(C(F)(F)F)s1 ZINC001274067921 1204353385 /nfs/dbraw/zinc/35/33/85/1204353385.db2.gz UUNHEBBHPZWPSU-VXGBXAGGSA-N 1 2 343.374 2.360 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnc(C(F)(F)F)s1 ZINC001274067921 1204353388 /nfs/dbraw/zinc/35/33/88/1204353388.db2.gz UUNHEBBHPZWPSU-VXGBXAGGSA-N 1 2 343.374 2.360 20 30 EEEDLO C#CCN1CC[C@]2(CC[N@@H+](Cc3cc(F)c(O)c(Cl)c3)C2)C1=O ZINC001274083865 1204362309 /nfs/dbraw/zinc/36/23/09/1204362309.db2.gz GMZZZEIUGVUZED-KRWDZBQOSA-N 1 2 336.794 2.242 20 30 EEEDLO C#CCN1CC[C@]2(CC[N@H+](Cc3cc(F)c(O)c(Cl)c3)C2)C1=O ZINC001274083865 1204362313 /nfs/dbraw/zinc/36/23/13/1204362313.db2.gz GMZZZEIUGVUZED-KRWDZBQOSA-N 1 2 336.794 2.242 20 30 EEEDLO C=CCN1C(=O)COCC12C[NH+](Cc1cc(C)ccc1OC(C)C)C2 ZINC001274547742 1205078044 /nfs/dbraw/zinc/07/80/44/1205078044.db2.gz WRMIGXXRWRJDSF-UHFFFAOYSA-N 1 2 344.455 2.381 20 30 EEEDLO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001274774056 1205158868 /nfs/dbraw/zinc/15/88/68/1205158868.db2.gz CPOAHYAMBHDCBD-QZTJIDSGSA-N 1 2 345.418 2.299 20 30 EEEDLO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001274774056 1205158870 /nfs/dbraw/zinc/15/88/70/1205158870.db2.gz CPOAHYAMBHDCBD-QZTJIDSGSA-N 1 2 345.418 2.299 20 30 EEEDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C)cc1C#N ZINC001274807825 1205173255 /nfs/dbraw/zinc/17/32/55/1205173255.db2.gz IHIGVOAQCRMDBW-NIKGAXFTSA-N 1 2 339.439 2.410 20 30 EEEDLO CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C)cc1C#N ZINC001274807825 1205173256 /nfs/dbraw/zinc/17/32/56/1205173256.db2.gz IHIGVOAQCRMDBW-NIKGAXFTSA-N 1 2 339.439 2.410 20 30 EEEDLO 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337.851 2.212 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)nc1 ZINC001016025416 1225971146 /nfs/dbraw/zinc/97/11/46/1225971146.db2.gz WUIIHTXUMGMYJR-HNNXBMFYSA-N 1 2 341.361 2.345 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(F)c3F)C2)nc1 ZINC001016025416 1225971151 /nfs/dbraw/zinc/97/11/51/1225971151.db2.gz WUIIHTXUMGMYJR-HNNXBMFYSA-N 1 2 341.361 2.345 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ncccc2F)C1 ZINC000968017586 1220987239 /nfs/dbraw/zinc/98/72/39/1220987239.db2.gz QHCNESHKYJVRLK-NHYWBVRUSA-N 1 2 325.815 2.342 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ncccc2F)C1 ZINC000968017586 1220987241 /nfs/dbraw/zinc/98/72/41/1220987241.db2.gz QHCNESHKYJVRLK-NHYWBVRUSA-N 1 2 325.815 2.342 20 30 EEEDLO Cc1cc(C[N@@H+]2CCCCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)no1 ZINC000968815887 1221594358 /nfs/dbraw/zinc/59/43/58/1221594358.db2.gz HSKYRACHYCZPTE-KRWDZBQOSA-N 1 2 341.415 2.357 20 30 EEEDLO Cc1cc(C[N@H+]2CCCCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)no1 ZINC000968815887 1221594359 /nfs/dbraw/zinc/59/43/59/1221594359.db2.gz HSKYRACHYCZPTE-KRWDZBQOSA-N 1 2 341.415 2.357 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)c3ccncc3)C2)c1 ZINC001006573574 1221842439 /nfs/dbraw/zinc/84/24/39/1221842439.db2.gz BITJDXZEBHEWAT-QGZVFWFLSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)c3ccncc3)C2)c1 ZINC001006573574 1221842443 /nfs/dbraw/zinc/84/24/43/1221842443.db2.gz BITJDXZEBHEWAT-QGZVFWFLSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(C4CC4)no3)C2)[nH]1 ZINC001007153920 1222112379 /nfs/dbraw/zinc/11/23/79/1222112379.db2.gz YEFGGGNOGSKJRA-CQSZACIVSA-N 1 2 339.399 2.146 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(C4CC4)no3)C2)[nH]1 ZINC001007153920 1222112381 /nfs/dbraw/zinc/11/23/81/1222112381.db2.gz YEFGGGNOGSKJRA-CQSZACIVSA-N 1 2 339.399 2.146 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001007357126 1222188148 /nfs/dbraw/zinc/18/81/48/1222188148.db2.gz NQIOJXFNOGCUBL-JZXOWHBKSA-N 1 2 347.459 2.353 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nc(C)oc2C)C1 ZINC001007357126 1222188151 /nfs/dbraw/zinc/18/81/51/1222188151.db2.gz NQIOJXFNOGCUBL-JZXOWHBKSA-N 1 2 347.459 2.353 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)c3cnccn3)C2)cc1 ZINC001008148952 1222653752 /nfs/dbraw/zinc/65/37/52/1222653752.db2.gz OVZIKXZFPZCVIW-MAUKXSAKSA-N 1 2 334.423 2.413 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)c3cnccn3)C2)cc1 ZINC001008148952 1222653754 /nfs/dbraw/zinc/65/37/54/1222653754.db2.gz OVZIKXZFPZCVIW-MAUKXSAKSA-N 1 2 334.423 2.413 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001009060493 1223127851 /nfs/dbraw/zinc/12/78/51/1223127851.db2.gz VIXBDZNEZKPLTP-QGZVFWFLSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001009060493 1223127853 /nfs/dbraw/zinc/12/78/53/1223127853.db2.gz VIXBDZNEZKPLTP-QGZVFWFLSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1noc(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010119571 1223561085 /nfs/dbraw/zinc/56/10/85/1223561085.db2.gz BDRMHZNYLFRVPW-OAHLLOKOSA-N 1 2 342.374 2.307 20 30 EEEDLO Cc1noc(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010119571 1223561089 /nfs/dbraw/zinc/56/10/89/1223561089.db2.gz BDRMHZNYLFRVPW-OAHLLOKOSA-N 1 2 342.374 2.307 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)c1ccccc1O ZINC001010265923 1223634451 /nfs/dbraw/zinc/63/44/51/1223634451.db2.gz DKUWCLZFGDHZQB-KRWDZBQOSA-N 1 2 338.382 2.387 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1ccccc1O ZINC001010265923 1223634453 /nfs/dbraw/zinc/63/44/53/1223634453.db2.gz DKUWCLZFGDHZQB-KRWDZBQOSA-N 1 2 338.382 2.387 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)o1 ZINC001010425098 1223714937 /nfs/dbraw/zinc/71/49/37/1223714937.db2.gz ARMBKVKLFGABOW-OAHLLOKOSA-N 1 2 342.374 2.307 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)o1 ZINC001010425098 1223714939 /nfs/dbraw/zinc/71/49/39/1223714939.db2.gz ARMBKVKLFGABOW-OAHLLOKOSA-N 1 2 342.374 2.307 20 30 EEEDLO Cc1ncoc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001010442285 1223721327 /nfs/dbraw/zinc/72/13/27/1223721327.db2.gz NNVUIIKYVCWHKZ-MRXNPFEDSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1ncoc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001010442285 1223721330 /nfs/dbraw/zinc/72/13/30/1223721330.db2.gz NNVUIIKYVCWHKZ-MRXNPFEDSA-N 1 2 343.814 2.492 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)c[nH]1 ZINC001010689792 1223852007 /nfs/dbraw/zinc/85/20/07/1223852007.db2.gz LWDULLDSIPUSKA-CYBMUJFWSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(F)c3F)C2)c[nH]1 ZINC001010689792 1223852008 /nfs/dbraw/zinc/85/20/08/1223852008.db2.gz LWDULLDSIPUSKA-CYBMUJFWSA-N 1 2 330.338 2.169 20 30 EEEDLO Cc1nc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cs1 ZINC001016194936 1226191582 /nfs/dbraw/zinc/19/15/82/1226191582.db2.gz BPEPCNJTTCNOQV-MRXNPFEDSA-N 1 2 340.452 2.256 20 30 EEEDLO Cc1nc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cs1 ZINC001016194936 1226191587 /nfs/dbraw/zinc/19/15/87/1226191587.db2.gz BPEPCNJTTCNOQV-MRXNPFEDSA-N 1 2 340.452 2.256 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001014435266 1226613875 /nfs/dbraw/zinc/61/38/75/1226613875.db2.gz NNSZUTBGXLOZQJ-IRXDYDNUSA-N 1 2 349.438 2.092 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001014435266 1226613880 /nfs/dbraw/zinc/61/38/80/1226613880.db2.gz NNSZUTBGXLOZQJ-IRXDYDNUSA-N 1 2 349.438 2.092 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001018877692 1228480548 /nfs/dbraw/zinc/48/05/48/1228480548.db2.gz DPBFDYPILKRGKH-STQMWFEESA-N 1 2 329.297 2.149 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cn3c(n2)CCCC3)c1 ZINC001038313333 1229738666 /nfs/dbraw/zinc/73/86/66/1229738666.db2.gz COWYOYWLXBYOFR-QGZVFWFLSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cn3c(n2)CCCC3)c1 ZINC001038313333 1229738669 /nfs/dbraw/zinc/73/86/69/1229738669.db2.gz COWYOYWLXBYOFR-QGZVFWFLSA-N 1 2 349.438 2.095 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2[C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC001038668929 1229963518 /nfs/dbraw/zinc/96/35/18/1229963518.db2.gz XXYBUTAQPCOHIR-QZTJIDSGSA-N 1 2 345.487 2.077 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2[C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC001038668929 1229963520 /nfs/dbraw/zinc/96/35/20/1229963520.db2.gz XXYBUTAQPCOHIR-QZTJIDSGSA-N 1 2 345.487 2.077 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]2[C@@H](C)c2ccc(F)cc2)nn1 ZINC001038782995 1230051773 /nfs/dbraw/zinc/05/17/73/1230051773.db2.gz NLCJNTVHAJHGQL-XJKSGUPXSA-N 1 2 343.406 2.169 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+]2[C@@H](C)c2ccc(F)cc2)nn1 ZINC001038782995 1230051778 /nfs/dbraw/zinc/05/17/78/1230051778.db2.gz NLCJNTVHAJHGQL-XJKSGUPXSA-N 1 2 343.406 2.169 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc3cccnn32)c1 ZINC001038784069 1230053272 /nfs/dbraw/zinc/05/32/72/1230053272.db2.gz DHWUHBKHVHXIKV-GOSISDBHSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc3cccnn32)c1 ZINC001038784069 1230053276 /nfs/dbraw/zinc/05/32/76/1230053276.db2.gz DHWUHBKHVHXIKV-GOSISDBHSA-N 1 2 345.406 2.210 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2Cl)nn1 ZINC001038792480 1230061016 /nfs/dbraw/zinc/06/10/16/1230061016.db2.gz VTQKXZOZTBJZMC-CQSZACIVSA-N 1 2 345.834 2.122 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2Cl)nn1 ZINC001038792480 1230061019 /nfs/dbraw/zinc/06/10/19/1230061019.db2.gz VTQKXZOZTBJZMC-CQSZACIVSA-N 1 2 345.834 2.122 20 30 EEEDLO CCc1noc(C)c1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001039007757 1230231531 /nfs/dbraw/zinc/23/15/31/1230231531.db2.gz SOUHJCZNLBXYLG-INIZCTEOSA-N 1 2 338.411 2.421 20 30 EEEDLO CCc1noc(C)c1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001039007757 1230231533 /nfs/dbraw/zinc/23/15/33/1230231533.db2.gz SOUHJCZNLBXYLG-INIZCTEOSA-N 1 2 338.411 2.421 20 30 EEEDLO CN(C)c1ccnc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)c1 ZINC001039073016 1230282532 /nfs/dbraw/zinc/28/25/32/1230282532.db2.gz IPOOXZVKUZYWRU-GOSISDBHSA-N 1 2 349.438 2.024 20 30 EEEDLO CN(C)c1ccnc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)c1 ZINC001039073016 1230282534 /nfs/dbraw/zinc/28/25/34/1230282534.db2.gz IPOOXZVKUZYWRU-GOSISDBHSA-N 1 2 349.438 2.024 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)o1 ZINC001039358446 1230551272 /nfs/dbraw/zinc/55/12/72/1230551272.db2.gz MQIQBAMBGNVDJN-CVEARBPZSA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)o1 ZINC001039358446 1230551273 /nfs/dbraw/zinc/55/12/73/1230551273.db2.gz MQIQBAMBGNVDJN-CVEARBPZSA-N 1 2 339.399 2.062 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1nc(C)cc1C ZINC001039402574 1230584996 /nfs/dbraw/zinc/58/49/96/1230584996.db2.gz DSGZSRDZIJJQAF-CVEARBPZSA-N 1 2 336.867 2.318 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1nc(C)cc1C ZINC001039402574 1230584998 /nfs/dbraw/zinc/58/49/98/1230584998.db2.gz DSGZSRDZIJJQAF-CVEARBPZSA-N 1 2 336.867 2.318 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001039458580 1230624839 /nfs/dbraw/zinc/62/48/39/1230624839.db2.gz CYUQAIAWIIXQIK-BMFZPTHFSA-N 1 2 348.878 2.332 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001039458580 1230624842 /nfs/dbraw/zinc/62/48/42/1230624842.db2.gz CYUQAIAWIIXQIK-BMFZPTHFSA-N 1 2 348.878 2.332 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1c1cccc(F)c1C#N ZINC001039819611 1230832897 /nfs/dbraw/zinc/83/28/97/1230832897.db2.gz WDBQIEQEXDMPNJ-CHWSQXEVSA-N 1 2 341.390 2.137 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C)n1 ZINC001040112202 1231029570 /nfs/dbraw/zinc/02/95/70/1231029570.db2.gz CVTWMUJJZQNGFQ-ZFWWWQNUSA-N 1 2 338.415 2.019 20 30 EEEDLO Cc1nc(NC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)cc[nH+]1 ZINC001040394916 1231205773 /nfs/dbraw/zinc/20/57/73/1231205773.db2.gz PBVVHQXXDXHGFI-TZMCWYRMSA-N 1 2 338.415 2.195 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC2(C1)CC[NH+](Cc1ncc(Cl)n1C)CC2 ZINC001040642700 1231324831 /nfs/dbraw/zinc/32/48/31/1231324831.db2.gz BRQZXSCGAYHSTQ-CYBMUJFWSA-N 1 2 349.866 2.048 20 30 EEEDLO C[C@@H](c1csnn1)[NH+]1CCC2(CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001040696871 1231339531 /nfs/dbraw/zinc/33/95/31/1231339531.db2.gz JVQDMLNUXWPZRX-AWEZNQCLSA-N 1 2 344.484 2.327 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC2(C1)CC[NH+](Cc1ncnn1C)CC2 ZINC001040829390 1231382024 /nfs/dbraw/zinc/38/20/24/1231382024.db2.gz CEQXYMNXKOJCNP-GOSISDBHSA-N 1 2 345.491 2.232 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]2C)cn1 ZINC001042079806 1231873156 /nfs/dbraw/zinc/87/31/56/1231873156.db2.gz AZCSSYMXUOFITQ-KZULUSFZSA-N 1 2 349.438 2.033 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(CC)no3)[C@@H]2C1 ZINC001042182825 1231941692 /nfs/dbraw/zinc/94/16/92/1231941692.db2.gz MTAMJKLMFQFTCS-ZIAGYGMSSA-N 1 2 332.448 2.267 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(CC)no3)[C@@H]2C1 ZINC001042182825 1231941695 /nfs/dbraw/zinc/94/16/95/1231941695.db2.gz MTAMJKLMFQFTCS-ZIAGYGMSSA-N 1 2 332.448 2.267 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3nnc(CC)o3)[C@@H]2C1 ZINC001042183364 1231941996 /nfs/dbraw/zinc/94/19/96/1231941996.db2.gz PBAWRZVAFIHCHO-UONOGXRCSA-N 1 2 332.448 2.267 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3nnc(CC)o3)[C@@H]2C1 ZINC001042183364 1231941998 /nfs/dbraw/zinc/94/19/98/1231941998.db2.gz PBAWRZVAFIHCHO-UONOGXRCSA-N 1 2 332.448 2.267 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3coc(COC)n3)C[C@@H]21 ZINC001042294444 1232010566 /nfs/dbraw/zinc/01/05/66/1232010566.db2.gz NMYGJPPBIXLGOI-OCCSQVGLSA-N 1 2 339.823 2.110 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3coc(COC)n3)C[C@@H]21 ZINC001042294444 1232010567 /nfs/dbraw/zinc/01/05/67/1232010567.db2.gz NMYGJPPBIXLGOI-OCCSQVGLSA-N 1 2 339.823 2.110 20 30 EEEDLO CN(C(=O)C=C1CCC1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001042602148 1232118043 /nfs/dbraw/zinc/11/80/43/1232118043.db2.gz LWHROUCNAFKFCO-UHFFFAOYSA-N 1 2 325.412 2.342 20 30 EEEDLO CN(C(=O)[C@]12C[C@H]1CCC2)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001043402906 1232421366 /nfs/dbraw/zinc/42/13/66/1232421366.db2.gz VQPLQAAISQACJY-OXQOHEQNSA-N 1 2 339.439 2.422 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCN(CC)c1cc[nH+]c(C)n1 ZINC001095977172 1232919444 /nfs/dbraw/zinc/91/94/44/1232919444.db2.gz OXAHOIYLESHBAS-RDJZCZTQSA-N 1 2 332.448 2.099 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cscn2)[nH]1 ZINC001045753882 1233947687 /nfs/dbraw/zinc/94/76/87/1233947687.db2.gz XOJQVHBOFYZJSG-CABCVRRESA-N 1 2 341.440 2.222 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2cscn2)[nH]1 ZINC001045753882 1233947691 /nfs/dbraw/zinc/94/76/91/1233947691.db2.gz XOJQVHBOFYZJSG-CABCVRRESA-N 1 2 341.440 2.222 20 30 EEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000800342912 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/nfs/dbraw/zinc/68/59/76/1244685976.db2.gz FVWHVKQBSQIBGG-QGZVFWFLSA-N 1 2 345.443 2.042 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(NC(=O)CC)c1 ZINC001050944893 1244685988 /nfs/dbraw/zinc/68/59/88/1244685988.db2.gz FVWHVKQBSQIBGG-QGZVFWFLSA-N 1 2 345.443 2.042 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H](C)[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001052691578 1244763271 /nfs/dbraw/zinc/76/32/71/1244763271.db2.gz SMRQUOAZEIRYSA-GJZGRUSLSA-N 1 2 346.475 2.155 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccnc1C1CC1 ZINC001051003295 1244827179 /nfs/dbraw/zinc/82/71/79/1244827179.db2.gz MCZJZPNUGKJEFZ-INIZCTEOSA-N 1 2 329.444 2.356 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccnc1C1CC1 ZINC001051003295 1244827187 /nfs/dbraw/zinc/82/71/87/1244827187.db2.gz MCZJZPNUGKJEFZ-INIZCTEOSA-N 1 2 329.444 2.356 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1noc2c1C[C@@H](C)CC2 ZINC001051188513 1245365604 /nfs/dbraw/zinc/36/56/04/1245365604.db2.gz DPZCOVJJQKHCNS-GJZGRUSLSA-N 1 2 347.459 2.196 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1noc2c1C[C@@H](C)CC2 ZINC001051188513 1245365609 /nfs/dbraw/zinc/36/56/09/1245365609.db2.gz DPZCOVJJQKHCNS-GJZGRUSLSA-N 1 2 347.459 2.196 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2[nH]c(C)nc2c1 ZINC001051189076 1245367560 /nfs/dbraw/zinc/36/75/60/1245367560.db2.gz MWUBJXPUCISEBP-MRXNPFEDSA-N 1 2 342.443 2.268 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2[nH]c(C)nc2c1 ZINC001051189076 1245367566 /nfs/dbraw/zinc/36/75/66/1245367566.db2.gz MWUBJXPUCISEBP-MRXNPFEDSA-N 1 2 342.443 2.268 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001051201200 1245381016 /nfs/dbraw/zinc/38/10/16/1245381016.db2.gz AWFVTAKHIOSZCV-HNNXBMFYSA-N 1 2 333.432 2.339 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001051201200 1245381022 /nfs/dbraw/zinc/38/10/22/1245381022.db2.gz AWFVTAKHIOSZCV-HNNXBMFYSA-N 1 2 333.432 2.339 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001051211015 1245395374 /nfs/dbraw/zinc/39/53/74/1245395374.db2.gz SMXTXLPOQUJUIG-APWZRJJASA-N 1 2 344.455 2.082 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001051211015 1245395378 /nfs/dbraw/zinc/39/53/78/1245395378.db2.gz SMXTXLPOQUJUIG-APWZRJJASA-N 1 2 344.455 2.082 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1Cc2c(cccc2C)O1 ZINC001051211018 1245395967 /nfs/dbraw/zinc/39/59/67/1245395967.db2.gz SMXTXLPOQUJUIG-VQIMIIECSA-N 1 2 344.455 2.082 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1Cc2c(cccc2C)O1 ZINC001051211018 1245395972 /nfs/dbraw/zinc/39/59/72/1245395972.db2.gz SMXTXLPOQUJUIG-VQIMIIECSA-N 1 2 344.455 2.082 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc(C)nc1C1CC1 ZINC001051230901 1245418011 /nfs/dbraw/zinc/41/80/11/1245418011.db2.gz MPKXSVHFIOGPNX-INIZCTEOSA-N 1 2 344.459 2.059 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc(C)nc1C1CC1 ZINC001051230901 1245418016 /nfs/dbraw/zinc/41/80/16/1245418016.db2.gz MPKXSVHFIOGPNX-INIZCTEOSA-N 1 2 344.459 2.059 20 30 EEEDLO C=CCCCC(=O)NCCN(CCC)c1ncnc2c1C[N@H+](C)CC2 ZINC001101233591 1245550665 /nfs/dbraw/zinc/55/06/65/1245550665.db2.gz CAQJYHUJWUFEFN-UHFFFAOYSA-N 1 2 345.491 2.153 20 30 EEEDLO C=CCCCC(=O)NCCN(CCC)c1ncnc2c1C[N@@H+](C)CC2 ZINC001101233591 1245550670 /nfs/dbraw/zinc/55/06/70/1245550670.db2.gz CAQJYHUJWUFEFN-UHFFFAOYSA-N 1 2 345.491 2.153 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001053032121 1245722548 /nfs/dbraw/zinc/72/25/48/1245722548.db2.gz JLLIGDHUSOXVII-HUUCEWRRSA-N 1 2 346.475 2.254 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H]([C@@H](C)NC(=O)Cc3[nH]cc[nH+]3)C2)CCC1 ZINC001051532803 1245842520 /nfs/dbraw/zinc/84/25/20/1245842520.db2.gz KWHMHBGOAWPKEJ-CABCVRRESA-N 1 2 344.459 2.052 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@H]1[C@@H]1CCC[N@H+](Cc2cnon2)C1 ZINC001053086771 1245863242 /nfs/dbraw/zinc/86/32/42/1245863242.db2.gz OHJKDZIRXSMHQH-AEFFLSMTSA-N 1 2 342.443 2.076 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@H]1[C@@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC001053086771 1245863251 /nfs/dbraw/zinc/86/32/51/1245863251.db2.gz OHJKDZIRXSMHQH-AEFFLSMTSA-N 1 2 342.443 2.076 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H](C)[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053131615 1245959493 /nfs/dbraw/zinc/95/94/93/1245959493.db2.gz GKMPIPUMUHPOHP-LSDHHAIUSA-N 1 2 346.475 2.155 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H](C)[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053131615 1245959499 /nfs/dbraw/zinc/95/94/99/1245959499.db2.gz GKMPIPUMUHPOHP-LSDHHAIUSA-N 1 2 346.475 2.155 20 30 EEEDLO CCCC(=O)N[C@@H]1CC2(C[NH+](Cc3ccc(C#N)cc3)C2)n2ccnc21 ZINC001101602987 1246015291 /nfs/dbraw/zinc/01/52/91/1246015291.db2.gz VNVDPPDRNZJCSQ-QGZVFWFLSA-N 1 2 349.438 2.327 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H](C)c1ccco1)c1nccn12 ZINC001101649864 1246080643 /nfs/dbraw/zinc/08/06/43/1246080643.db2.gz WUOJNGIFCIMASL-HUUCEWRRSA-N 1 2 340.427 2.428 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1conc1C1CCCC1)CCO2 ZINC001053284967 1246141598 /nfs/dbraw/zinc/14/15/98/1246141598.db2.gz IKIWRBLWLYSRPZ-UHFFFAOYSA-N 1 2 345.443 2.435 20 30 EEEDLO C=CCOc1ccccc1C(=O)N1CCOC2(C[NH+](CCC)C2)C1 ZINC001053311891 1246172090 /nfs/dbraw/zinc/17/20/90/1246172090.db2.gz DRYLICJBYFJPSG-UHFFFAOYSA-N 1 2 330.428 2.188 20 30 EEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCNc1cccc(F)c1C#N ZINC001101991549 1246289944 /nfs/dbraw/zinc/28/99/44/1246289944.db2.gz AAMDZIQXNGXYRO-LBPRGKRZSA-N 1 2 329.379 2.170 20 30 EEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCNc1cccc(F)c1C#N ZINC001101991549 1246289947 /nfs/dbraw/zinc/28/99/47/1246289947.db2.gz AAMDZIQXNGXYRO-LBPRGKRZSA-N 1 2 329.379 2.170 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)/C=C/c3ccco3)C2)CC1 ZINC001051969578 1246323689 /nfs/dbraw/zinc/32/36/89/1246323689.db2.gz LWJBEYXFLIFBQK-APHBUQMISA-N 1 2 349.862 2.264 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C3CCCCCC3)C2)CC1 ZINC001051991861 1246351438 /nfs/dbraw/zinc/35/14/38/1246351438.db2.gz NJSZLGGNOKKVKT-IBGZPJMESA-N 1 2 331.504 2.199 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1F)CCO2 ZINC001053464633 1246365224 /nfs/dbraw/zinc/36/52/24/1246365224.db2.gz VAQAWZSQPVOBGG-DLBZAZTESA-N 1 2 344.430 2.419 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)C3CC(C)C3)C2)CC1 ZINC001052009724 1246372643 /nfs/dbraw/zinc/37/26/43/1246372643.db2.gz OCGIRXVGBOLEEK-AVVWSFFYSA-N 1 2 325.884 2.004 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C)ccc3OC)C2)CC1 ZINC001052046539 1246417885 /nfs/dbraw/zinc/41/78/85/1246417885.db2.gz AAKOVPFEAFKNAS-KRWDZBQOSA-N 1 2 343.471 2.022 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4C[C@@H]4CC3)C2)CC1 ZINC001052055346 1246426505 /nfs/dbraw/zinc/42/65/05/1246426505.db2.gz LGEFQBDCDNKEMP-YSTOQKLRSA-N 1 2 343.515 2.055 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1ccc(Cl)cc1)CCO2 ZINC001053522325 1246428682 /nfs/dbraw/zinc/42/86/82/1246428682.db2.gz ZYSXONHBSIJZJR-UHFFFAOYSA-N 1 2 334.847 2.372 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C3(C(F)F)CCC3)C2)CC1 ZINC001052069971 1246443672 /nfs/dbraw/zinc/44/36/72/1246443672.db2.gz ABJGQELWMUXYCA-OAHLLOKOSA-N 1 2 341.446 2.216 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C34CC(C(C)(C)C)(C3)C4)C2)CC1 ZINC001052123747 1246511157 /nfs/dbraw/zinc/51/11/57/1246511157.db2.gz OPGWCKAUGBSUSY-RPCJCACASA-N 1 2 343.515 2.055 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccnn1[C@@H](C)CC)O2 ZINC001053605498 1246520914 /nfs/dbraw/zinc/52/09/14/1246520914.db2.gz IBWNATQRLKVKSK-HOTGVXAUSA-N 1 2 346.475 2.393 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3oc(C)nc3c1)O2 ZINC001053616327 1246539087 /nfs/dbraw/zinc/53/90/87/1246539087.db2.gz ZQBJKVLUJFRWLN-HNNXBMFYSA-N 1 2 341.411 2.285 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ncccc1CC)O2 ZINC001053618728 1246542514 /nfs/dbraw/zinc/54/25/14/1246542514.db2.gz DFXCIJVZVGNWHX-MRXNPFEDSA-N 1 2 329.444 2.183 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c[nH]nc1C(C)C)O2 ZINC001053622194 1246546972 /nfs/dbraw/zinc/54/69/72/1246546972.db2.gz OXQWNAGAMVNEQN-CQSZACIVSA-N 1 2 332.448 2.072 20 30 EEEDLO C=CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC001053647661 1246585048 /nfs/dbraw/zinc/58/50/48/1246585048.db2.gz APPARUGTFZUIGB-MUJYYYPQSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C3CC3)no1)O2 ZINC001053673460 1246625109 /nfs/dbraw/zinc/62/51/09/1246625109.db2.gz VCIGCFWBMBZNOJ-AWEZNQCLSA-N 1 2 331.416 2.091 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn(CCCC)nc1C)O2 ZINC001053687493 1246651330 /nfs/dbraw/zinc/65/13/30/1246651330.db2.gz RLYRZWJMIIWXGD-INIZCTEOSA-N 1 2 346.475 2.141 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C13CC(C(F)(F)F)(C1)C3)O2 ZINC001053701390 1246678735 /nfs/dbraw/zinc/67/87/35/1246678735.db2.gz UOIZEVZHKKQSFO-GRTSSRMGSA-N 1 2 344.377 2.255 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)noc1C(C)C)CO2 ZINC001053835427 1246873209 /nfs/dbraw/zinc/87/32/09/1246873209.db2.gz JBSOIVIXUKWVIC-AWEZNQCLSA-N 1 2 333.432 2.256 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1cc(C)c(Cl)cn1)CO2 ZINC001053844391 1246895425 /nfs/dbraw/zinc/89/54/25/1246895425.db2.gz HXGIHKSWOBFBMK-OAHLLOKOSA-N 1 2 349.862 2.122 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1cc(C)ccc1OC)CO2 ZINC001053862866 1246929098 /nfs/dbraw/zinc/92/90/98/1246929098.db2.gz CKAQLMACVFXHMJ-KRWDZBQOSA-N 1 2 344.455 2.082 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cncc(OC(C)C)c1)CO2 ZINC001053891937 1246975101 /nfs/dbraw/zinc/97/51/01/1246975101.db2.gz ZYBGQAULZMUTTP-MRXNPFEDSA-N 1 2 345.443 2.018 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(F)cc(F)cc1F)CO2 ZINC001053910854 1247002719 /nfs/dbraw/zinc/00/27/19/1247002719.db2.gz SRYLEZFTPHYEMV-GFCCVEGCSA-N 1 2 340.345 2.253 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(F)c3occc31)CO2 ZINC001054012818 1247147374 /nfs/dbraw/zinc/14/73/74/1247147374.db2.gz IPUZGYJUNSMSQZ-CYBMUJFWSA-N 1 2 342.370 2.168 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1sccc1C(C)C)CO2 ZINC001054015853 1247152134 /nfs/dbraw/zinc/15/21/34/1247152134.db2.gz RANGFNVPRIDLGH-AWEZNQCLSA-N 1 2 332.469 2.468 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc(C(C)(C)C)s1)CO2 ZINC001054017645 1247153811 /nfs/dbraw/zinc/15/38/11/1247153811.db2.gz IAMJCBXXQDGHJW-ZDUSSCGKSA-N 1 2 347.484 2.037 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cncc(COC)c1 ZINC001054042567 1247206766 /nfs/dbraw/zinc/20/67/66/1247206766.db2.gz BOERBFAHMMVCPJ-HXUWFJFHSA-N 1 2 349.434 2.018 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cncc(COC)c1 ZINC001054042567 1247206784 /nfs/dbraw/zinc/20/67/84/1247206784.db2.gz BOERBFAHMMVCPJ-HXUWFJFHSA-N 1 2 349.434 2.018 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccc(OC)n1 ZINC001054057627 1247258125 /nfs/dbraw/zinc/25/81/25/1247258125.db2.gz BDNMAYKPLWSWBF-SFHVURJKSA-N 1 2 349.434 2.270 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccc(OC)n1 ZINC001054057627 1247258133 /nfs/dbraw/zinc/25/81/33/1247258133.db2.gz BDNMAYKPLWSWBF-SFHVURJKSA-N 1 2 349.434 2.270 20 30 EEEDLO 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/nfs/dbraw/zinc/69/73/34/1247697334.db2.gz YCMIAEQJDDHYBF-INIZCTEOSA-N 1 2 340.452 2.304 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccnn3CC(F)F)cc2C1 ZINC001054265601 1247936801 /nfs/dbraw/zinc/93/68/01/1247936801.db2.gz RJTQDMAHGPKIDH-UHFFFAOYSA-N 1 2 344.365 2.027 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccnn3CC(F)F)cc2C1 ZINC001054265601 1247936809 /nfs/dbraw/zinc/93/68/09/1247936809.db2.gz RJTQDMAHGPKIDH-UHFFFAOYSA-N 1 2 344.365 2.027 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3c4c[nH]nc4CC[C@H]3C)cc2C1 ZINC001054274974 1247976604 /nfs/dbraw/zinc/97/66/04/1247976604.db2.gz XNTWWUJGBQEZSI-JLTOFOAXSA-N 1 2 348.450 2.341 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3c4c[nH]nc4CC[C@H]3C)cc2C1 ZINC001054274974 1247976617 /nfs/dbraw/zinc/97/66/17/1247976617.db2.gz XNTWWUJGBQEZSI-JLTOFOAXSA-N 1 2 348.450 2.341 20 30 EEEDLO Cc1nc(N[C@H](C)[C@@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001058002368 1248242579 /nfs/dbraw/zinc/24/25/79/1248242579.db2.gz NEWFPXLNNOLNMJ-WBMJQRKESA-N 1 2 338.415 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ZINC001099847697 1258417426 /nfs/dbraw/zinc/41/74/26/1258417426.db2.gz PDFKCOFJMOIPJB-QZTJIDSGSA-N 1 2 347.434 2.041 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2F)C[C@H]1O ZINC001099855327 1258423328 /nfs/dbraw/zinc/42/33/28/1258423328.db2.gz GIUWRLSQIYVEMZ-JKSUJKDBSA-N 1 2 338.398 2.373 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C[C@H]1O ZINC001099855327 1258423334 /nfs/dbraw/zinc/42/33/34/1258423334.db2.gz GIUWRLSQIYVEMZ-JKSUJKDBSA-N 1 2 338.398 2.373 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1O ZINC001099856050 1258423545 /nfs/dbraw/zinc/42/35/45/1258423545.db2.gz RAJWLWLWGLLUHT-IRXDYDNUSA-N 1 2 338.398 2.373 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C[C@@H]1O ZINC001099856050 1258423550 /nfs/dbraw/zinc/42/35/50/1258423550.db2.gz RAJWLWLWGLLUHT-IRXDYDNUSA-N 1 2 338.398 2.373 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC001100864327 1259364003 /nfs/dbraw/zinc/36/40/03/1259364003.db2.gz 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CC#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@H](C)CC(C)C)C2)nn1 ZINC001186019002 1278912245 /nfs/dbraw/zinc/91/22/45/1278912245.db2.gz MGOGLLNPQUODBK-SJLPKXTDSA-N 1 2 345.491 2.237 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)CCCCCC)C2)nn1 ZINC001186028684 1278916004 /nfs/dbraw/zinc/91/60/04/1278916004.db2.gz BHOHSBGPIRMBBK-KRWDZBQOSA-N 1 2 331.464 2.135 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(C)on3)C[C@H]21)OCC ZINC001188095417 1279763109 /nfs/dbraw/zinc/76/31/09/1279763109.db2.gz KXJPCARSFLPONN-CGTJXYLNSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]21)OCC ZINC001188095417 1279763114 /nfs/dbraw/zinc/76/31/14/1279763114.db2.gz KXJPCARSFLPONN-CGTJXYLNSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)OCc3ccncc3)[C@@H]2C1 ZINC001189167140 1280177543 /nfs/dbraw/zinc/17/75/43/1280177543.db2.gz CEBAFHWSIXPWJM-HYVNUMGLSA-N 1 2 349.862 2.272 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)OCc3ccncc3)[C@@H]2C1 ZINC001189167140 1280177545 /nfs/dbraw/zinc/17/75/45/1280177545.db2.gz CEBAFHWSIXPWJM-HYVNUMGLSA-N 1 2 349.862 2.272 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2cc3n(n2)CCCC3)C1 ZINC001189744062 1280474322 /nfs/dbraw/zinc/47/43/22/1280474322.db2.gz LQJNAOPXPSATCT-IBGZPJMESA-N 1 2 342.487 2.446 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc3n(n2)CCCC3)C1 ZINC001189744062 1280474328 /nfs/dbraw/zinc/47/43/28/1280474328.db2.gz LQJNAOPXPSATCT-IBGZPJMESA-N 1 2 342.487 2.446 20 30 EEEDLO Cc1nc(NC2C[C@H]3CCC[C@@H](C2)N3C(=O)CSCC#N)cc[nH+]1 ZINC001110415482 1280476165 /nfs/dbraw/zinc/47/61/65/1280476165.db2.gz MRXQNTKVVWFFNV-GOOCMWNKSA-N 1 2 345.472 2.366 20 30 EEEDLO CCc1nnc([C@H](C)[N@H+](C)[C@@H]2CCN(C(=O)C#CC(C)(C)C)C2)o1 ZINC001190083669 1280666454 /nfs/dbraw/zinc/66/64/54/1280666454.db2.gz FBWSHZOKUPIYAA-UONOGXRCSA-N 1 2 332.448 2.275 20 30 EEEDLO CCc1nnc([C@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)C#CC(C)(C)C)C2)o1 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/nfs/dbraw/zinc/38/24/32/1305382432.db2.gz IYPZSMSNWMCSLH-FUHWJXTLSA-N 1 2 347.503 2.156 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C1CCC1 ZINC001235777092 1305382445 /nfs/dbraw/zinc/38/24/45/1305382445.db2.gz IYPZSMSNWMCSLH-FUHWJXTLSA-N 1 2 347.503 2.156 20 30 EEEDLO Cc1nsc(N[C@H](C)CN(C)C(=O)CCCn2cc[nH+]c2)c1C#N ZINC001115761693 1305741137 /nfs/dbraw/zinc/74/11/37/1305741137.db2.gz FERQKWQXNDPBFA-GFCCVEGCSA-N 1 2 346.460 2.259 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)c2cccs2)CC1 ZINC001119593063 1309135948 /nfs/dbraw/zinc/13/59/48/1309135948.db2.gz PAKHOIDYKIZPKJ-HNNXBMFYSA-N 1 2 330.453 2.267 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)c2cccs2)CC1 ZINC001119593063 1309135952 /nfs/dbraw/zinc/13/59/52/1309135952.db2.gz PAKHOIDYKIZPKJ-HNNXBMFYSA-N 1 2 330.453 2.267 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001120435385 1309537174 /nfs/dbraw/zinc/53/71/74/1309537174.db2.gz VIVGTHDTFBOOTG-GFCCVEGCSA-N 1 2 334.468 2.107 20 30 EEEDLO C=C(C)CN(CC)c1nnc(C[NH+]2CCC(CO)CC2)n1CC(=C)C ZINC001122566066 1310333812 /nfs/dbraw/zinc/33/38/12/1310333812.db2.gz AIXNACTZFKNQNV-UHFFFAOYSA-N 1 2 347.507 2.461 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)[C@@H]1C ZINC001123066596 1310463585 /nfs/dbraw/zinc/46/35/85/1310463585.db2.gz FJWGZSRUMVMSFM-GXTWGEPZSA-N 1 2 328.420 2.121 20 30 EEEDLO CCCCCCCCNC(=S)N1CC[N@@H+](C)C[C@@H]1C(=O)OC ZINC001247159271 1310539230 /nfs/dbraw/zinc/53/92/30/1310539230.db2.gz QQNPWVONAJCORI-CQSZACIVSA-N 1 2 329.510 2.010 20 30 EEEDLO CCCCCCCCNC(=S)N1CC[N@H+](C)C[C@@H]1C(=O)OC ZINC001247159271 1310539220 /nfs/dbraw/zinc/53/92/20/1310539220.db2.gz QQNPWVONAJCORI-CQSZACIVSA-N 1 2 329.510 2.010 20 30 EEEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)[C@]2(CCCO2)[C@H]1C1CC1 ZINC000839961770 1315265611 /nfs/dbraw/zinc/26/56/11/1315265611.db2.gz YDCOQVRZWMOVOE-MJGOQNOKSA-N 1 2 325.412 2.118 20 30 EEEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)[C@]2(CCCO2)[C@H]1C1CC1 ZINC000839961770 1315265612 /nfs/dbraw/zinc/26/56/12/1315265612.db2.gz YDCOQVRZWMOVOE-MJGOQNOKSA-N 1 2 325.412 2.118 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C2(CC)CCOCC2)C1 ZINC001150516974 1316285953 /nfs/dbraw/zinc/28/59/53/1316285953.db2.gz IVPVKYUUTLLBEJ-OAHLLOKOSA-N 1 2 344.883 2.153 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C2(CC)CCOCC2)C1 ZINC001150516974 1316285955 /nfs/dbraw/zinc/28/59/55/1316285955.db2.gz IVPVKYUUTLLBEJ-OAHLLOKOSA-N 1 2 344.883 2.153 20 30 EEEDLO C=C[C@H](C(=O)NCC[NH2+]Cc1nc(C(C)C)no1)c1ccccc1 ZINC001151990833 1316617991 /nfs/dbraw/zinc/61/79/91/1316617991.db2.gz PZANSEYALAERMQ-HNNXBMFYSA-N 1 2 328.416 2.369 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1csc(CC)n1 ZINC001153306607 1316807815 /nfs/dbraw/zinc/80/78/15/1316807815.db2.gz MJNFDTPDJRTZAR-KGLIPLIRSA-N 1 2 337.489 2.070 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1csc(CC)n1 ZINC001153306607 1316807819 /nfs/dbraw/zinc/80/78/19/1316807819.db2.gz MJNFDTPDJRTZAR-KGLIPLIRSA-N 1 2 337.489 2.070 20 30 EEEDLO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2ncc(C)o2)CCOCC1 ZINC001153779648 1316880792 /nfs/dbraw/zinc/88/07/92/1316880792.db2.gz DURZOAKWIWKDMY-OAHLLOKOSA-N 1 2 347.459 2.130 20 30 EEEDLO C#CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ncc(C)o2)CCOCC1 ZINC001153779648 1316880793 /nfs/dbraw/zinc/88/07/93/1316880793.db2.gz DURZOAKWIWKDMY-OAHLLOKOSA-N 1 2 347.459 2.130 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncccn1 ZINC001154477366 1317153074 /nfs/dbraw/zinc/15/30/74/1317153074.db2.gz NDFZVOBZYGOAHF-QAPCUYQASA-N 1 2 334.464 2.032 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncccn1 ZINC001154477366 1317153076 /nfs/dbraw/zinc/15/30/76/1317153076.db2.gz NDFZVOBZYGOAHF-QAPCUYQASA-N 1 2 334.464 2.032 20 30 EEEDLO C=Cc1ccc(C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)cc1 ZINC001278629650 1317417367 /nfs/dbraw/zinc/41/73/67/1317417367.db2.gz MIJFEKFGTNPIKT-UHFFFAOYSA-N 1 2 346.434 2.498 20 30 EEEDLO C=CCOC[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(F)F ZINC001252497914 1317617615 /nfs/dbraw/zinc/61/76/15/1317617615.db2.gz BQHJEQCOTDEKTQ-IAGOWNOFSA-N 1 2 340.414 2.049 20 30 EEEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)Oc1ccc2c(Cl)ncnc2c1 ZINC001156327749 1317966530 /nfs/dbraw/zinc/96/65/30/1317966530.db2.gz KIRCMNYYLAAEMS-VIFPVBQESA-N 1 2 339.733 2.010 20 30 EEEDLO C[NH+](C)Cc1nc(CSCCNc2cncc(CC#N)n2)cs1 ZINC001157337307 1318572910 /nfs/dbraw/zinc/57/29/10/1318572910.db2.gz UCSGJYYZBMNWJH-UHFFFAOYSA-N 1 2 348.501 2.406 20 30 EEEDLO Cc1noc([C@@H](C)[N@@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)C)n1 ZINC001157931245 1318936363 /nfs/dbraw/zinc/93/63/63/1318936363.db2.gz YZFJUZKYFAVYAL-GDBMZVCRSA-N 1 2 332.448 2.411 20 30 EEEDLO Cc1noc([C@@H](C)[N@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)C)n1 ZINC001157931245 1318936367 /nfs/dbraw/zinc/93/63/67/1318936367.db2.gz YZFJUZKYFAVYAL-GDBMZVCRSA-N 1 2 332.448 2.411 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1csc(C)n1 ZINC001157950674 1318944464 /nfs/dbraw/zinc/94/44/64/1318944464.db2.gz DUPHJHCHKOZSTF-WMLDXEAASA-N 1 2 349.500 2.303 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1csc(C)n1 ZINC001157950674 1318944466 /nfs/dbraw/zinc/94/44/66/1318944466.db2.gz DUPHJHCHKOZSTF-WMLDXEAASA-N 1 2 349.500 2.303 20 30 EEEDLO COc1ccc(C#Cc2nnc(CC[NH+]3C[C@H](C)O[C@@H](C)C3)o2)cc1 ZINC001258082237 1319168822 /nfs/dbraw/zinc/16/88/22/1319168822.db2.gz ZFTZJWCJOUVTDL-GJZGRUSLSA-N 1 2 341.411 2.130 20 30 EEEDLO N#Cc1ccccc1S(=O)(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001258221618 1319217386 /nfs/dbraw/zinc/21/73/86/1319217386.db2.gz XFHPLBSJCYCVSQ-UHFFFAOYSA-N 1 2 343.408 2.185 20 30 EEEDLO C=CCCOCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nocc1C ZINC001158966355 1319536296 /nfs/dbraw/zinc/53/62/96/1319536296.db2.gz GQJGEHPVJVKHIL-MRXNPFEDSA-N 1 2 335.448 2.389 20 30 EEEDLO C=CCCOCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nocc1C ZINC001158966355 1319536303 /nfs/dbraw/zinc/53/63/03/1319536303.db2.gz GQJGEHPVJVKHIL-MRXNPFEDSA-N 1 2 335.448 2.389 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2CC=C(CCNC(=O)[C@H](C)C#N)CC2)n1 ZINC001159594770 1319905606 /nfs/dbraw/zinc/90/56/06/1319905606.db2.gz SBYDUPGDEYLTTA-OAHLLOKOSA-N 1 2 329.448 2.262 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CC=C(CCNC(=O)[C@H](C)C#N)CC2)n1 ZINC001159594770 1319905607 /nfs/dbraw/zinc/90/56/07/1319905607.db2.gz SBYDUPGDEYLTTA-OAHLLOKOSA-N 1 2 329.448 2.262 20 30 EEEDLO COC(=O)c1ccc(C(=N)Nc2cc(N3CCCC3)[nH+]c(C)n2)cc1 ZINC001159848229 1320003823 /nfs/dbraw/zinc/00/38/23/1320003823.db2.gz VGKZDPWQKUSPNN-UHFFFAOYSA-N 1 2 339.399 2.209 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2nonc2C)CC1 ZINC001160940589 1320324407 /nfs/dbraw/zinc/32/44/07/1320324407.db2.gz DNDHGTYBFHZYDK-KGLIPLIRSA-N 1 2 332.448 2.475 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nonc2C)CC1 ZINC001160940589 1320324410 /nfs/dbraw/zinc/32/44/10/1320324410.db2.gz DNDHGTYBFHZYDK-KGLIPLIRSA-N 1 2 332.448 2.475 20 30 EEEDLO COC(=O)c1cc(C#N)cnc1NCc1c[nH+]cn1CC1CCC1 ZINC001161535521 1320529649 /nfs/dbraw/zinc/52/96/49/1320529649.db2.gz DBFFXHVTTNAXOZ-UHFFFAOYSA-N 1 2 325.372 2.349 20 30 EEEDLO C=CCCOCC(=O)NCCC1=CC[N@H+](Cc2cc(C)on2)CC1 ZINC001161978549 1320705808 /nfs/dbraw/zinc/70/58/08/1320705808.db2.gz YWUJWVVRAKHEAN-UHFFFAOYSA-N 1 2 333.432 2.214 20 30 EEEDLO C=CCCOCC(=O)NCCC1=CC[N@@H+](Cc2cc(C)on2)CC1 ZINC001161978549 1320705812 /nfs/dbraw/zinc/70/58/12/1320705812.db2.gz YWUJWVVRAKHEAN-UHFFFAOYSA-N 1 2 333.432 2.214 20 30 EEEDLO N#Cc1cc(F)cnc1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC001163897793 1321242500 /nfs/dbraw/zinc/24/25/00/1321242500.db2.gz ZCLKVUVFCOJMJD-UHFFFAOYSA-N 1 2 340.358 2.143 20 30 EEEDLO CCCc1nc(C[NH2+]CC2(CCNC(=O)C#CC(C)C)CC2)no1 ZINC001164461603 1321386943 /nfs/dbraw/zinc/38/69/43/1321386943.db2.gz ZXBKKMOBDSUTKQ-UHFFFAOYSA-N 1 2 332.448 2.058 20 30 EEEDLO C[Si](C)(C)c1ccc(C(F)(F)N2CC[NH2+]C[C@H]2C#N)nc1Cl ZINC001164651690 1321442052 /nfs/dbraw/zinc/44/20/52/1321442052.db2.gz KLZLJDLKGSNFGM-SNVBAGLBSA-N 1 2 344.869 2.127 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCCn3nnc(COCC4CC4)c3C2)c1 ZINC001203756955 1321954692 /nfs/dbraw/zinc/95/46/92/1321954692.db2.gz FYIHMNZUVVJJFG-UHFFFAOYSA-N 1 2 337.427 2.482 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCCn3nnc(COCC4CC4)c3C2)c1 ZINC001203756955 1321954695 /nfs/dbraw/zinc/95/46/95/1321954695.db2.gz FYIHMNZUVVJJFG-UHFFFAOYSA-N 1 2 337.427 2.482 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001265223060 1322994632 /nfs/dbraw/zinc/99/46/32/1322994632.db2.gz PNNZWEJIXHUYMU-SFHVURJKSA-N 1 2 343.471 2.136 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001265223060 1322994634 /nfs/dbraw/zinc/99/46/34/1322994634.db2.gz PNNZWEJIXHUYMU-SFHVURJKSA-N 1 2 343.471 2.136 20 30 EEEDLO N#Cc1cncc(C[N@H+]2CCC[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC001276486890 1323393314 /nfs/dbraw/zinc/39/33/14/1323393314.db2.gz FYKPXVUQWJOYHE-HXUWFJFHSA-N 1 2 347.422 2.115 20 30 EEEDLO N#Cc1cncc(C[N@@H+]2CCC[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC001276486890 1323393322 /nfs/dbraw/zinc/39/33/22/1323393322.db2.gz FYKPXVUQWJOYHE-HXUWFJFHSA-N 1 2 347.422 2.115 20 30 EEEDLO 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785118133 /nfs/dbraw/zinc/11/81/33/785118133.db2.gz HWVIJODAXXMVAC-SFHVURJKSA-N 1 2 330.476 2.447 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC3(C[NH+](Cc4cnnn4CC)C3)CC2)C1 ZINC001035792438 785139930 /nfs/dbraw/zinc/13/99/30/785139930.db2.gz WMHKWGBHNALVMV-UHFFFAOYSA-N 1 2 343.475 2.079 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2O)cc1 ZINC001032287405 785456586 /nfs/dbraw/zinc/45/65/86/785456586.db2.gz HBHFQJVMWAJJBY-IRXDYDNUSA-N 1 2 333.391 2.363 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2O)cc1 ZINC001032287405 785456592 /nfs/dbraw/zinc/45/65/92/785456592.db2.gz HBHFQJVMWAJJBY-IRXDYDNUSA-N 1 2 333.391 2.363 20 30 EEEDLO C=CCn1c(COC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000908645995 785601617 /nfs/dbraw/zinc/60/16/17/785601617.db2.gz QSULUHBIYNAAAX-UHFFFAOYSA-N 1 2 328.420 2.086 20 30 EEEDLO CC1(C)CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]Cc1nc(C2CCC2)no1 ZINC000995790164 785716652 /nfs/dbraw/zinc/71/66/52/785716652.db2.gz BESGEYZFTVWYQC-HNNXBMFYSA-N 1 2 342.443 2.077 20 30 EEEDLO C=CCCC(=O)NCc1cn(C2C[NH+](Cc3csc(C)c3)C2)nn1 ZINC001107142895 786071613 /nfs/dbraw/zinc/07/16/13/786071613.db2.gz UZXPOQCJOJDNRX-UHFFFAOYSA-N 1 2 345.472 2.287 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccnc(C)n1)C2 ZINC001109555593 805677352 /nfs/dbraw/zinc/67/73/52/805677352.db2.gz WVZPBOYFDUUNHZ-PMPSAXMXSA-N 1 2 334.851 2.192 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccnc(C)n1)C2 ZINC001109555593 805677356 /nfs/dbraw/zinc/67/73/56/805677356.db2.gz WVZPBOYFDUUNHZ-PMPSAXMXSA-N 1 2 334.851 2.192 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)CC3CCCC3)nn2)C1 ZINC001107217346 786468908 /nfs/dbraw/zinc/46/89/08/786468908.db2.gz HLENVENAPDBMOS-AWEZNQCLSA-N 1 2 331.464 2.153 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC/C=C/CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107235614 786584013 /nfs/dbraw/zinc/58/40/13/786584013.db2.gz KGOYSJGNBIYIKT-GJBLVYBDSA-N 1 2 330.432 2.338 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](CCC)CC(C)C)nn2)C1 ZINC001107238717 786590729 /nfs/dbraw/zinc/59/07/29/786590729.db2.gz MNOBDFVKVGUHCS-OAHLLOKOSA-N 1 2 333.480 2.399 20 30 EEEDLO C=CC(C)(C)CC(=O)NC/C=C\CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107361551 786993932 /nfs/dbraw/zinc/99/39/32/786993932.db2.gz MKHDCPSAVYARRO-SREVYHEPSA-N 1 2 343.475 2.151 20 30 EEEDLO C=CC(C)(C)CC(=O)NC/C=C\CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107361551 786993936 /nfs/dbraw/zinc/99/39/36/786993936.db2.gz MKHDCPSAVYARRO-SREVYHEPSA-N 1 2 343.475 2.151 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2Cl)[C@@H](O)C1 ZINC001090588030 787097697 /nfs/dbraw/zinc/09/76/97/787097697.db2.gz AQEBZWFDIHTMEC-KGLIPLIRSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2Cl)[C@@H](O)C1 ZINC001090588030 787097704 /nfs/dbraw/zinc/09/77/04/787097704.db2.gz AQEBZWFDIHTMEC-KGLIPLIRSA-N 1 2 347.217 2.397 20 30 EEEDLO CCOC(=O)Cc1ccncc1NC(=[NH2+])c1ccc(C(=O)OC)cc1 ZINC001170983589 787107659 /nfs/dbraw/zinc/10/76/59/787107659.db2.gz AYRULDOZIBHACL-UHFFFAOYSA-N 1 2 341.367 2.011 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C12CCC2 ZINC001090598872 787189277 /nfs/dbraw/zinc/18/92/77/787189277.db2.gz IDGIPYYSFCOMKC-ZIAGYGMSSA-N 1 2 344.463 2.052 20 30 EEEDLO C#Cc1cncc(C(=O)NC/C=C\CNc2cc(C)[nH+]c(C3CC3)n2)c1 ZINC001107500147 787441118 /nfs/dbraw/zinc/44/11/18/787441118.db2.gz YOJSDFBXBIXYPO-PLNGDYQASA-N 1 2 347.422 2.437 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001062216704 787604408 /nfs/dbraw/zinc/60/44/08/787604408.db2.gz CXJWPNNBLNPFSF-JKSUJKDBSA-N 1 2 332.448 2.298 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079020152 788302300 /nfs/dbraw/zinc/30/23/00/788302300.db2.gz ZBWFOFJLHMNDSN-INIZCTEOSA-N 1 2 346.475 2.394 20 30 EEEDLO CCOc1ccc(C[NH+]2CCC(C#N)(C(=O)OC)CC2)cc1OC ZINC000824860949 788325239 /nfs/dbraw/zinc/32/52/39/788325239.db2.gz AKETZDYOGWNLOW-UHFFFAOYSA-N 1 2 332.400 2.373 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)CCCNc2cnc(C#N)cn2)c(C)[nH+]1 ZINC001109688716 805876920 /nfs/dbraw/zinc/87/69/20/805876920.db2.gz CFWZAKJZKVFJST-UHFFFAOYSA-N 1 2 338.415 2.243 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079021966 788388952 /nfs/dbraw/zinc/38/89/52/788388952.db2.gz WKWSITQYLYHFBM-AWEZNQCLSA-N 1 2 332.448 2.004 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)CCCNc2ccc(C#N)nn2)c(C)[nH+]1 ZINC001109688930 805877038 /nfs/dbraw/zinc/87/70/38/805877038.db2.gz LOUPQXAGEPJFNU-UHFFFAOYSA-N 1 2 338.415 2.243 20 30 EEEDLO C[C@@H](CC(=O)N(C)C1CC(Nc2ccc(C#N)nc2)C1)n1cc[nH+]c1 ZINC001127080209 788739309 /nfs/dbraw/zinc/73/93/09/788739309.db2.gz NGDFQPQLGOXTHN-IGEOTXOUSA-N 1 2 338.415 2.202 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[C@@H]2C(F)F)c1 ZINC001032381981 788862751 /nfs/dbraw/zinc/86/27/51/788862751.db2.gz PMSHRCLYCIBZDN-VGWMRTNUSA-N 1 2 331.366 2.245 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[C@@H]2C(F)F)c1 ZINC001032381981 788862764 /nfs/dbraw/zinc/86/27/64/788862764.db2.gz PMSHRCLYCIBZDN-VGWMRTNUSA-N 1 2 331.366 2.245 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C2CC[NH+](Cc3cscn3)CC2)c1 ZINC001005968300 789065991 /nfs/dbraw/zinc/06/59/91/789065991.db2.gz JQSBVCYYRZTWRY-UHFFFAOYSA-N 1 2 340.452 2.256 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCC(OC2C[NH+](CCOCC)C2)CC1 ZINC001105721313 789244332 /nfs/dbraw/zinc/24/43/32/789244332.db2.gz XTVQUZOHPCUZHY-MRXNPFEDSA-N 1 2 338.492 2.317 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ncc(CC)o2)CC1 ZINC001006019700 789304737 /nfs/dbraw/zinc/30/47/37/789304737.db2.gz QSCXSJZLYGWYDY-SJORKVTESA-N 1 2 347.459 2.251 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2ccc(F)cc2Cl)C1 ZINC001108182771 789673481 /nfs/dbraw/zinc/67/34/81/789673481.db2.gz PBDWIFCXFXCKBU-QGZVFWFLSA-N 1 2 340.826 2.415 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2ccc(F)cc2Cl)C1 ZINC001108182771 789673485 /nfs/dbraw/zinc/67/34/85/789673485.db2.gz PBDWIFCXFXCKBU-QGZVFWFLSA-N 1 2 340.826 2.415 20 30 EEEDLO COC(=O)[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1cccc(C#N)c1 ZINC000845283753 789711179 /nfs/dbraw/zinc/71/11/79/789711179.db2.gz ZIYFHSZYYNKDSA-LRDDRELGSA-N 1 2 327.340 2.163 20 30 EEEDLO COc1ccccc1NC(=O)[C@@H](C#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845443567 789780327 /nfs/dbraw/zinc/78/03/27/789780327.db2.gz ZGLZBVHNTDBLCX-OLZOCXBDSA-N 1 2 326.356 2.190 20 30 EEEDLO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)c2c[nH]c(C)cc2=O)CC1 ZINC000997376143 789870225 /nfs/dbraw/zinc/87/02/25/789870225.db2.gz OGLSAQNEIRVNAQ-CYBMUJFWSA-N 1 2 337.851 2.266 20 30 EEEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2c(Cn3cccn3)cnc2C1 ZINC001171213147 790060909 /nfs/dbraw/zinc/06/09/09/790060909.db2.gz VSGPGZNHTYXBCJ-MRXNPFEDSA-N 1 2 346.438 2.446 20 30 EEEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCn2c(Cn3cccn3)cnc2C1 ZINC001171213147 790060912 /nfs/dbraw/zinc/06/09/12/790060912.db2.gz VSGPGZNHTYXBCJ-MRXNPFEDSA-N 1 2 346.438 2.446 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001109819224 806025697 /nfs/dbraw/zinc/02/56/97/806025697.db2.gz ZVODIYREXHFHNF-DNVCBOLYSA-N 1 2 344.459 2.296 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060330510 790137311 /nfs/dbraw/zinc/13/73/11/790137311.db2.gz DYLZKTIITAXFQZ-DNVCBOLYSA-N 1 2 346.475 2.218 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCN(C(C)(C)C)C1=O ZINC001032557241 791195259 /nfs/dbraw/zinc/19/52/59/791195259.db2.gz DASYGYFMEKQVHJ-HRCADAONSA-N 1 2 347.503 2.273 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCN(C(C)(C)C)C1=O ZINC001032557241 791195262 /nfs/dbraw/zinc/19/52/62/791195262.db2.gz DASYGYFMEKQVHJ-HRCADAONSA-N 1 2 347.503 2.273 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccccc23)[C@@H](O)C1 ZINC001090401149 791779077 /nfs/dbraw/zinc/77/90/77/791779077.db2.gz ATDXPNOUZAEYKH-CVEARBPZSA-N 1 2 333.819 2.085 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccccc23)[C@@H](O)C1 ZINC001090401149 791779079 /nfs/dbraw/zinc/77/90/79/791779079.db2.gz ATDXPNOUZAEYKH-CVEARBPZSA-N 1 2 333.819 2.085 20 30 EEEDLO Cc1nnc([C@@H](C)[N@@H+]2CCC3(CN(C(=O)C#CC(C)(C)C)C3)C2)s1 ZINC001147541122 791859175 /nfs/dbraw/zinc/85/91/75/791859175.db2.gz IVKFRQRAOVCNKK-CYBMUJFWSA-N 1 2 346.500 2.491 20 30 EEEDLO Cc1nnc([C@@H](C)[N@H+]2CCC3(CN(C(=O)C#CC(C)(C)C)C3)C2)s1 ZINC001147541122 791859179 /nfs/dbraw/zinc/85/91/79/791859179.db2.gz IVKFRQRAOVCNKK-CYBMUJFWSA-N 1 2 346.500 2.491 20 30 EEEDLO Cc1nc(N[C@H](C)[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)cc[nH+]1 ZINC001063882574 791879361 /nfs/dbraw/zinc/87/93/61/791879361.db2.gz IXQNICGQUAPZAA-DOMZBBRYSA-N 1 2 338.415 2.338 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3[nH]c(=O)oc3c2)[C@H]1C ZINC001089061842 792036554 /nfs/dbraw/zinc/03/65/54/792036554.db2.gz OJCKKPQRULBBMN-PWSUYJOCSA-N 1 2 335.791 2.479 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]c(=O)oc3c2)[C@H]1C ZINC001089061842 792036558 /nfs/dbraw/zinc/03/65/58/792036558.db2.gz OJCKKPQRULBBMN-PWSUYJOCSA-N 1 2 335.791 2.479 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)[C@H]1C 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/nfs/dbraw/zinc/08/50/16/802085016.db2.gz VCFJAADVLJBLCH-YJBOKZPZSA-N 1 2 343.475 2.054 20 30 EEEDLO Cc1ccn(C[C@H](C)C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004452926 802085027 /nfs/dbraw/zinc/08/50/27/802085027.db2.gz VCFJAADVLJBLCH-YJBOKZPZSA-N 1 2 343.475 2.054 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001108243573 802183711 /nfs/dbraw/zinc/18/37/11/802183711.db2.gz UTVOMNJJGMCQJC-PZJWPPBQSA-N 1 2 340.467 2.022 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001108243573 802183716 /nfs/dbraw/zinc/18/37/16/802183716.db2.gz UTVOMNJJGMCQJC-PZJWPPBQSA-N 1 2 340.467 2.022 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc(C3CC3)no2)CC1 ZINC001004567598 802384685 /nfs/dbraw/zinc/38/46/85/802384685.db2.gz ITHITXKRTHDIAU-MRXNPFEDSA-N 1 2 328.416 2.392 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc(C3CC3)no2)CC1 ZINC001004567598 802384691 /nfs/dbraw/zinc/38/46/91/802384691.db2.gz ITHITXKRTHDIAU-MRXNPFEDSA-N 1 2 328.416 2.392 20 30 EEEDLO CCc1nc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c(C)o1 ZINC001004576553 802400325 /nfs/dbraw/zinc/40/03/25/802400325.db2.gz NVGVGISBNHEUDQ-HNNXBMFYSA-N 1 2 330.432 2.386 20 30 EEEDLO CCc1nc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c(C)o1 ZINC001004576553 802400330 /nfs/dbraw/zinc/40/03/30/802400330.db2.gz NVGVGISBNHEUDQ-HNNXBMFYSA-N 1 2 330.432 2.386 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001066431862 802401984 /nfs/dbraw/zinc/40/19/84/802401984.db2.gz MZFGSRCVPNZNQR-HOTGVXAUSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnc(CC3CC3)s2)C1 ZINC001108094229 802979524 /nfs/dbraw/zinc/97/95/24/802979524.db2.gz PLEGJRQTUCOGQU-QGZVFWFLSA-N 1 2 335.473 2.102 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnc(CC3CC3)s2)C1 ZINC001108094229 802979528 /nfs/dbraw/zinc/97/95/28/802979528.db2.gz PLEGJRQTUCOGQU-QGZVFWFLSA-N 1 2 335.473 2.102 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)c2ccccc2)C1 ZINC001108386936 803433984 /nfs/dbraw/zinc/43/39/84/803433984.db2.gz LHHXNSNRCCPTOR-HXUWFJFHSA-N 1 2 328.456 2.195 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)c2ccccc2)C1 ZINC001108386936 803433989 /nfs/dbraw/zinc/43/39/89/803433989.db2.gz LHHXNSNRCCPTOR-HXUWFJFHSA-N 1 2 328.456 2.195 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)C#N)c(C)[nH+]1 ZINC001005012648 803455965 /nfs/dbraw/zinc/45/59/65/803455965.db2.gz XDIRHEBPFIEQIK-MPESAESLSA-N 1 2 340.427 2.028 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@](C)(CC)CCC)CC2=O)C1 ZINC001108582675 804201340 /nfs/dbraw/zinc/20/13/40/804201340.db2.gz BMUYVBWAPZZYBS-HNAYVOBHSA-N 1 2 335.492 2.180 20 30 EEEDLO C[NH+]1CCN(C(=O)c2ccnc(NC3=CC(=O)CC(C)(C)C3)c2)CC1 ZINC001169950522 804243567 /nfs/dbraw/zinc/24/35/67/804243567.db2.gz AUZHGKZNVCJDID-UHFFFAOYSA-N 1 2 342.443 2.154 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H](C)CNc1[nH+]c(C)nc(-n2cccn2)c1C ZINC001108635616 804303507 /nfs/dbraw/zinc/30/35/07/804303507.db2.gz MZJRQLNNNVUNDB-LBPRGKRZSA-N 1 2 342.447 2.408 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC001112676805 806984443 /nfs/dbraw/zinc/98/44/43/806984443.db2.gz YSKNCIJSLCZJBF-QGZVFWFLSA-N 1 2 346.471 2.458 20 30 EEEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCCCC1 ZINC001109058852 804900289 /nfs/dbraw/zinc/90/02/89/804900289.db2.gz MYYJRWBEFRZKIL-SQNIBIBYSA-N 1 2 347.503 2.371 20 30 EEEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCCCC1 ZINC001109058852 804900291 /nfs/dbraw/zinc/90/02/91/804900291.db2.gz MYYJRWBEFRZKIL-SQNIBIBYSA-N 1 2 347.503 2.371 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001109271179 805220433 /nfs/dbraw/zinc/22/04/33/805220433.db2.gz HLUFYNOWTFEKDD-ZLIFDBKOSA-N 1 2 346.475 2.324 20 30 EEEDLO Cc1nc(NCCCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)ccc1C#N ZINC001109489502 805547092 /nfs/dbraw/zinc/54/70/92/805547092.db2.gz BAUDCSWXKYICIC-UHFFFAOYSA-N 1 2 340.431 2.223 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(C)n([C@H](C)CC)n2)CC1 ZINC001113053462 807971859 /nfs/dbraw/zinc/97/18/59/807971859.db2.gz IJEYLPIQPYPKDT-OAHLLOKOSA-N 1 2 334.464 2.123 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H](C)[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001113185815 808405102 /nfs/dbraw/zinc/40/51/02/808405102.db2.gz OHPVVTURQLGIJG-VXGBXAGGSA-N 1 2 334.468 2.153 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000790148110 808445943 /nfs/dbraw/zinc/44/59/43/808445943.db2.gz QESKRBVAMFVWDG-SFHVURJKSA-N 1 2 342.414 2.345 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000790148110 808445949 /nfs/dbraw/zinc/44/59/49/808445949.db2.gz QESKRBVAMFVWDG-SFHVURJKSA-N 1 2 342.414 2.345 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](Cc2ccc3c(c2)nnn3C)CC1 ZINC001113246105 808532390 /nfs/dbraw/zinc/53/23/90/808532390.db2.gz GWOWWUBHWLXBBH-OAHLLOKOSA-N 1 2 341.459 2.215 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1 ZINC001113272983 808593513 /nfs/dbraw/zinc/59/35/13/808593513.db2.gz KPIUBDZOMHRJII-UHFFFAOYSA-N 1 2 343.427 2.137 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc3ccn(C)c3c2)CC1 ZINC001113492090 809091901 /nfs/dbraw/zinc/09/19/01/809091901.db2.gz CXWBKICWFLPOAB-UHFFFAOYSA-N 1 2 327.428 2.139 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001113639837 809423427 /nfs/dbraw/zinc/42/34/27/809423427.db2.gz LNUYUHYPGYMERJ-ZIAGYGMSSA-N 1 2 346.475 2.196 20 30 EEEDLO CSCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001113840403 809951135 /nfs/dbraw/zinc/95/11/35/809951135.db2.gz YFJLCNYFHMBHNA-HWWDLCQESA-N 1 2 348.899 2.491 20 30 EEEDLO CSCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001113840403 809951141 /nfs/dbraw/zinc/95/11/41/809951141.db2.gz YFJLCNYFHMBHNA-HWWDLCQESA-N 1 2 348.899 2.491 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)C1CC1 ZINC000792906358 810062319 /nfs/dbraw/zinc/06/23/19/810062319.db2.gz JSCYNFUURPMBMS-KWCYVHTRSA-N 1 2 330.259 2.311 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)C1CC1 ZINC000792906358 810062322 /nfs/dbraw/zinc/06/23/22/810062322.db2.gz JSCYNFUURPMBMS-KWCYVHTRSA-N 1 2 330.259 2.311 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(CCO)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001111554686 810677374 /nfs/dbraw/zinc/67/73/74/810677374.db2.gz BROXIJLHNKHXMB-IBGZPJMESA-N 1 2 346.475 2.498 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](c2nnc(C)[nH]2)C2(C[NH+](C[C@H](F)CC)C2)C1 ZINC001130460947 811701986 /nfs/dbraw/zinc/70/19/86/811701986.db2.gz CZMVPXYGZUMWHC-CABCVRRESA-N 1 2 349.454 2.055 20 30 EEEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)[C@H](C)C2CCC2)CC1 ZINC001437958553 1090555677 /nfs/dbraw/zinc/55/56/77/1090555677.db2.gz ZAOQQNATDBHWFU-OAHLLOKOSA-N 1 2 327.900 2.251 20 30 EEEDLO Cc1cncc(CCC(=O)NCC[N@@H+](C)Cc2ccccc2C#N)c1 ZINC001442462283 1096789602 /nfs/dbraw/zinc/78/96/02/1096789602.db2.gz KRIGGEAUUXWIRU-UHFFFAOYSA-N 1 2 336.439 2.443 20 30 EEEDLO Cc1cncc(CCC(=O)NCC[N@H+](C)Cc2ccccc2C#N)c1 ZINC001442462283 1096789608 /nfs/dbraw/zinc/78/96/08/1096789608.db2.gz KRIGGEAUUXWIRU-UHFFFAOYSA-N 1 2 336.439 2.443 20 30 EEEDLO C[C@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)c1cc(C(F)F)[nH]n1 ZINC001444661293 1099499359 /nfs/dbraw/zinc/49/93/59/1099499359.db2.gz DPQFZAVSRANHDQ-LLVKDONJSA-N 1 2 347.369 2.469 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](C)OCc1ccncc1 ZINC001445033410 1100205107 /nfs/dbraw/zinc/20/51/07/1100205107.db2.gz XAZTWTXKOHINSV-AWEZNQCLSA-N 1 2 325.840 2.129 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](C)OCc1ccncc1 ZINC001445033410 1100205098 /nfs/dbraw/zinc/20/50/98/1100205098.db2.gz XAZTWTXKOHINSV-AWEZNQCLSA-N 1 2 325.840 2.129 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccsc2)C1 ZINC001494256755 1103764335 /nfs/dbraw/zinc/76/43/35/1103764335.db2.gz CNNNIWMYLNXAKB-MRXNPFEDSA-N 1 2 349.500 2.367 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccsc2)C1 ZINC001494256755 1103764346 /nfs/dbraw/zinc/76/43/46/1103764346.db2.gz CNNNIWMYLNXAKB-MRXNPFEDSA-N 1 2 349.500 2.367 20 30 EEEDLO N#C[C@H](CCc1ccccc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001463571756 1110376594 /nfs/dbraw/zinc/37/65/94/1110376594.db2.gz YQJOXGZEZMLQER-RBUKOAKNSA-N 1 2 341.455 2.082 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)[C@H](C)OCC)C2)C1 ZINC001506860666 1114926985 /nfs/dbraw/zinc/92/69/85/1114926985.db2.gz XWYHXXDSJPSDMB-ZDUSSCGKSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)[C@H](C)OCC)C2)C1 ZINC001506860666 1114926986 /nfs/dbraw/zinc/92/69/86/1114926986.db2.gz XWYHXXDSJPSDMB-ZDUSSCGKSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(NC(C)=O)CCCC2)[C@@H]1C ZINC001507380927 1115239784 /nfs/dbraw/zinc/23/97/84/1115239784.db2.gz GQBVBZFOWDTINX-ZFWWWQNUSA-N 1 2 341.883 2.157 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(NC(C)=O)CCCC2)[C@@H]1C ZINC001507380927 1115239786 /nfs/dbraw/zinc/23/97/86/1115239786.db2.gz GQBVBZFOWDTINX-ZFWWWQNUSA-N 1 2 341.883 2.157 20 30 EEEDLO Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCN(c3cccc(F)c3C#N)CC2)n1 ZINC000177917579 232031822 /nfs/dbraw/zinc/03/18/22/232031822.db2.gz OEBBIGJKGXRRRO-CYBMUJFWSA-N 1 2 341.390 2.385 20 30 EEEDLO N#CCSc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1 ZINC000038335196 213207127 /nfs/dbraw/zinc/20/71/27/213207127.db2.gz MICCDUKSWVEHQD-UHFFFAOYSA-N 1 2 347.419 2.032 20 30 EEEDLO C[C@H](C(=O)N[C@@]1(C#N)CC1(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000292630585 238185501 /nfs/dbraw/zinc/18/55/01/238185501.db2.gz YTTSSXAXMRCYNC-AUUYWEPGSA-N 1 2 344.434 2.145 20 30 EEEDLO N#CCC1(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)CC1 ZINC000362338162 238224895 /nfs/dbraw/zinc/22/48/95/238224895.db2.gz BPHZZEZMVDSVHO-AWEZNQCLSA-N 1 2 348.472 2.114 20 30 EEEDLO CC(C)[C@@H](C(=O)NCc1ccc(C#N)s1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000421926142 240060046 /nfs/dbraw/zinc/06/00/46/240060046.db2.gz WTWPMZZUMSGIJZ-ZENOOKHLSA-N 1 2 335.473 2.370 20 30 EEEDLO CC(C)[C@@H](C(=O)NCc1ccc(C#N)s1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000421926142 240060050 /nfs/dbraw/zinc/06/00/50/240060050.db2.gz WTWPMZZUMSGIJZ-ZENOOKHLSA-N 1 2 335.473 2.370 20 30 EEEDLO C=CCc1cc(CNC(=O)[C@H]([NH3+])c2cscn2)cc(OC)c1OC ZINC000423136905 240380272 /nfs/dbraw/zinc/38/02/72/240380272.db2.gz ZSCGFGICIYHZHJ-OAHLLOKOSA-N 1 2 347.440 2.205 20 30 EEEDLO C[C@@H](NC(=O)c1ccc(C#N)s1)C1([NH+]2CCOCC2)CCCC1 ZINC000489001188 296104755 /nfs/dbraw/zinc/10/47/55/296104755.db2.gz IDYKCIXMUVKESU-CYBMUJFWSA-N 1 2 333.457 2.383 20 30 EEEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000456037781 244135706 /nfs/dbraw/zinc/13/57/06/244135706.db2.gz XRJNMSRFZKZWHB-INIZCTEOSA-N 1 2 343.471 2.306 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2sc(C(=O)OCC)c(C)c2c(N)n1 ZINC000491643244 246093688 /nfs/dbraw/zinc/09/36/88/246093688.db2.gz ZYHPZZLTCWETKN-SECBINFHSA-N 1 2 332.429 2.212 20 30 EEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2sc(C(=O)OCC)c(C)c2c(N)n1 ZINC000491643244 246093696 /nfs/dbraw/zinc/09/36/96/246093696.db2.gz ZYHPZZLTCWETKN-SECBINFHSA-N 1 2 332.429 2.212 20 30 EEEDLO C#CCNC(=O)C1CCN(c2[nH+]ccc3cc(OC)c(F)cc32)CC1 ZINC000491657541 246100428 /nfs/dbraw/zinc/10/04/28/246100428.db2.gz GLIQRRMDEUVFRK-UHFFFAOYSA-N 1 2 341.386 2.348 20 30 EEEDLO C#C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000491786360 246151160 /nfs/dbraw/zinc/15/11/60/246151160.db2.gz SYWBUMSXMSLUDY-QGZVFWFLSA-N 1 2 338.386 2.427 20 30 EEEDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000495617136 247213876 /nfs/dbraw/zinc/21/38/76/247213876.db2.gz OZWFGGXUQMOBAH-MRXNPFEDSA-N 1 2 344.415 2.097 20 30 EEEDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000495617136 247213882 /nfs/dbraw/zinc/21/38/82/247213882.db2.gz OZWFGGXUQMOBAH-MRXNPFEDSA-N 1 2 344.415 2.097 20 30 EEEDLO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000266395436 248280666 /nfs/dbraw/zinc/28/06/66/248280666.db2.gz NUCWSUBPFSVLSB-GFCCVEGCSA-N 1 2 342.321 2.029 20 30 EEEDLO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000266395436 248280667 /nfs/dbraw/zinc/28/06/67/248280667.db2.gz NUCWSUBPFSVLSB-GFCCVEGCSA-N 1 2 342.321 2.029 20 30 EEEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)[nH]1 ZINC000268532738 252000749 /nfs/dbraw/zinc/00/07/49/252000749.db2.gz ZAWKOPIMUOMPER-WFASDCNBSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1nnc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)[nH]1 ZINC000268532738 252000753 /nfs/dbraw/zinc/00/07/53/252000753.db2.gz ZAWKOPIMUOMPER-WFASDCNBSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000268532738 252000755 /nfs/dbraw/zinc/00/07/55/252000755.db2.gz ZAWKOPIMUOMPER-WFASDCNBSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000268532738 252000760 /nfs/dbraw/zinc/00/07/60/252000760.db2.gz ZAWKOPIMUOMPER-WFASDCNBSA-N 1 2 338.415 2.191 20 30 EEEDLO COc1ccc([C@H](CNc2cccnc2C#N)[NH+]2CCOCC2)cc1 ZINC000274008519 256345680 /nfs/dbraw/zinc/34/56/80/256345680.db2.gz KOMJEYUOUFTQEL-IBGZPJMESA-N 1 2 338.411 2.447 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186832206 533366801 /nfs/dbraw/zinc/36/68/01/533366801.db2.gz TZIVWLFDJUUJGI-INIZCTEOSA-N 1 2 346.452 2.370 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCSC2(CCOCC2)C1 ZINC000186832206 533366804 /nfs/dbraw/zinc/36/68/04/533366804.db2.gz TZIVWLFDJUUJGI-INIZCTEOSA-N 1 2 346.452 2.370 20 30 EEEDLO N#Cc1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cn1 ZINC000115326202 152020636 /nfs/dbraw/zinc/02/06/36/152020636.db2.gz PYIMEVYITIDLQK-UHFFFAOYSA-N 1 2 331.379 2.171 20 30 EEEDLO CCn1nccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000343518332 161143223 /nfs/dbraw/zinc/14/32/23/161143223.db2.gz LZJKBLPKDUUSJH-UHFFFAOYSA-N 1 2 338.415 2.124 20 30 EEEDLO N#Cc1ccc(C(=O)CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000356180906 163359709 /nfs/dbraw/zinc/35/97/09/163359709.db2.gz MJDAPOSUMBLIMO-UHFFFAOYSA-N 1 2 330.347 2.357 20 30 EEEDLO Cc1cc(C)nc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)n1 ZINC000123237737 222240271 /nfs/dbraw/zinc/24/02/71/222240271.db2.gz XWAWHZPSMNPMEB-UHFFFAOYSA-N 1 2 325.391 2.426 20 30 EEEDLO CC(C)(C)CS(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000331269754 270018942 /nfs/dbraw/zinc/01/89/42/270018942.db2.gz KELVERFUXBDXNY-UHFFFAOYSA-N 1 2 335.473 2.052 20 30 EEEDLO CCC1(CC)CN(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C(=O)O1 ZINC000496005325 270021539 /nfs/dbraw/zinc/02/15/39/270021539.db2.gz GNXMRJSTVLETQH-HNNXBMFYSA-N 1 2 344.415 2.375 20 30 EEEDLO CCC1(CC)CN(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C(=O)O1 ZINC000496005325 270021540 /nfs/dbraw/zinc/02/15/40/270021540.db2.gz GNXMRJSTVLETQH-HNNXBMFYSA-N 1 2 344.415 2.375 20 30 EEEDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000516182002 270021591 /nfs/dbraw/zinc/02/15/91/270021591.db2.gz DVPLKISUNKPUMQ-SFHVURJKSA-N 1 2 341.415 2.299 20 30 EEEDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000516182002 270021592 /nfs/dbraw/zinc/02/15/92/270021592.db2.gz DVPLKISUNKPUMQ-SFHVURJKSA-N 1 2 341.415 2.299 20 30 EEEDLO C[C@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000288340310 267216666 /nfs/dbraw/zinc/21/66/66/267216666.db2.gz MDVJHQLDXCXLMV-YOEHRIQHSA-N 1 2 344.440 2.168 20 30 EEEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2cc(C)c([N+](=O)[O-])cc2C#N)C1 ZINC000413312151 267363121 /nfs/dbraw/zinc/36/31/21/267363121.db2.gz PWTDWOIHTDWUAP-ZDUSSCGKSA-N 1 2 346.387 2.072 20 30 EEEDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2cc(C)c([N+](=O)[O-])cc2C#N)C1 ZINC000413312151 267363122 /nfs/dbraw/zinc/36/31/22/267363122.db2.gz PWTDWOIHTDWUAP-ZDUSSCGKSA-N 1 2 346.387 2.072 20 30 EEEDLO Cn1ncc2c1CCC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000515494061 268134851 /nfs/dbraw/zinc/13/48/51/268134851.db2.gz QYQOUJHVLXDUTQ-UHFFFAOYSA-N 1 2 343.818 2.332 20 30 EEEDLO Cn1ncc2c1CCC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000515494061 268134852 /nfs/dbraw/zinc/13/48/52/268134852.db2.gz QYQOUJHVLXDUTQ-UHFFFAOYSA-N 1 2 343.818 2.332 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nnc(-c4ccco4)o3)C2)nc1 ZINC000292208611 268183318 /nfs/dbraw/zinc/18/33/18/268183318.db2.gz OFOYZNFDAPGJRE-CYBMUJFWSA-N 1 2 337.339 2.250 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nnc(-c4ccco4)o3)C2)nc1 ZINC000292208611 268183321 /nfs/dbraw/zinc/18/33/21/268183321.db2.gz OFOYZNFDAPGJRE-CYBMUJFWSA-N 1 2 337.339 2.250 20 30 EEEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000046480440 273925335 /nfs/dbraw/zinc/92/53/35/273925335.db2.gz JKEHTAPXQWZADQ-MRXNPFEDSA-N 1 2 344.459 2.201 20 30 EEEDLO N#Cc1cccc(/C=C\C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000255602117 292712803 /nfs/dbraw/zinc/71/28/03/292712803.db2.gz NIMYLUFKFVTKOG-PLNGDYQASA-N 1 2 348.406 2.119 20 30 EEEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000071909052 303152575 /nfs/dbraw/zinc/15/25/75/303152575.db2.gz ONCPWJDCFLYRKQ-QGZVFWFLSA-N 1 2 342.468 2.432 20 30 EEEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000071909052 303152577 /nfs/dbraw/zinc/15/25/77/303152577.db2.gz ONCPWJDCFLYRKQ-QGZVFWFLSA-N 1 2 342.468 2.432 20 30 EEEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)c1 ZINC000181282496 533703185 /nfs/dbraw/zinc/70/31/85/533703185.db2.gz YJZJMCMSVUJMBI-CQSZACIVSA-N 1 2 338.411 2.414 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548320103 318374926 /nfs/dbraw/zinc/37/49/26/318374926.db2.gz IYXHGMPHUBKXRT-CYBMUJFWSA-N 1 2 325.372 2.290 20 30 EEEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000568051683 319449185 /nfs/dbraw/zinc/44/91/85/319449185.db2.gz YDBKHGNENGPEQA-INIZCTEOSA-N 1 2 338.411 2.376 20 30 EEEDLO Cc1cc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c(C#N)cn1 ZINC000581186986 324202887 /nfs/dbraw/zinc/20/28/87/324202887.db2.gz PXMHVGSBDFDLGG-INIZCTEOSA-N 1 2 328.441 2.231 20 30 EEEDLO C=CCC(C)(C)C(=O)N(CC)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106968028 782103148 /nfs/dbraw/zinc/10/31/48/782103148.db2.gz HQGCGCVXYGZXOE-UHFFFAOYSA-N 1 2 334.468 2.109 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nnc(CC)o3)[C@@H]2CC)C1 ZINC001087717945 782120802 /nfs/dbraw/zinc/12/08/02/782120802.db2.gz TXVUHBVREXHIJO-UONOGXRCSA-N 1 2 332.448 2.457 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(CC)o3)[C@@H]2CC)C1 ZINC001087717945 782120809 /nfs/dbraw/zinc/12/08/09/782120809.db2.gz TXVUHBVREXHIJO-UONOGXRCSA-N 1 2 332.448 2.457 20 30 EEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000049001225 462949122 /nfs/dbraw/zinc/94/91/22/462949122.db2.gz CDRHNPKJVLVAFK-JTQLQIEISA-N 1 2 335.205 2.048 20 30 EEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000049001225 462949126 /nfs/dbraw/zinc/94/91/26/462949126.db2.gz CDRHNPKJVLVAFK-JTQLQIEISA-N 1 2 335.205 2.048 20 30 EEEDLO N#Cc1ccccc1OCC[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000358380011 465090251 /nfs/dbraw/zinc/09/02/51/465090251.db2.gz FKLBHQDPVHKZNX-UHFFFAOYSA-N 1 2 345.340 2.455 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNC([O-])=[NH+][C@H]1c3ccccc3C[C@H]1O)CCC2 ZINC000328665726 465094474 /nfs/dbraw/zinc/09/44/74/465094474.db2.gz ZLTFEBVCSJGWQU-UAGQMJEPSA-N 1 2 340.427 2.231 20 30 EEEDLO Cc1c[nH+]c(CNc2ccn(-c3ccc(C#N)cc3Cl)n2)n1C ZINC000341297054 465098110 /nfs/dbraw/zinc/09/81/10/465098110.db2.gz YAFBHHUMCWYKTA-UHFFFAOYSA-N 1 2 326.791 3.051 20 30 EEEDLO COCC1(CNC(=O)N2CCN(c3c[nH+]ccc3C)CC2)CCC1 ZINC000328839191 465144291 /nfs/dbraw/zinc/14/42/91/465144291.db2.gz UEQRDPYERYIATJ-UHFFFAOYSA-N 1 2 332.448 2.243 20 30 EEEDLO C[C@@H](C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)N1CCOCC1 ZINC000328877264 465154822 /nfs/dbraw/zinc/15/48/22/465154822.db2.gz TXLOOCQHYHRCOO-ZDUSSCGKSA-N 1 2 338.477 2.438 20 30 EEEDLO N#CC1(N(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C2CC2)CCC1 ZINC000328884578 465156910 /nfs/dbraw/zinc/15/69/10/465156910.db2.gz NYCOBARSTSEWBI-GOSISDBHSA-N 1 2 339.439 2.325 20 30 EEEDLO N#CC1(N(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C2CC2)CCC1 ZINC000328884578 465156915 /nfs/dbraw/zinc/15/69/15/465156915.db2.gz NYCOBARSTSEWBI-GOSISDBHSA-N 1 2 339.439 2.325 20 30 EEEDLO O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328927573 465171260 /nfs/dbraw/zinc/17/12/60/465171260.db2.gz XDYPOISVKIQKMS-UONOGXRCSA-N 1 2 346.362 2.062 20 30 EEEDLO O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328927573 465171267 /nfs/dbraw/zinc/17/12/67/465171267.db2.gz XDYPOISVKIQKMS-UONOGXRCSA-N 1 2 346.362 2.062 20 30 EEEDLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000328938575 465174748 /nfs/dbraw/zinc/17/47/48/465174748.db2.gz DKBNRQZBQVUZGX-MJBXVCDLSA-N 1 2 333.436 2.328 20 30 EEEDLO C=C(C)CN(C)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000339342967 465215748 /nfs/dbraw/zinc/21/57/48/465215748.db2.gz ITNKUTYATMJZRI-INIZCTEOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(C)CN(C)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000339342967 465215756 /nfs/dbraw/zinc/21/57/56/465215756.db2.gz ITNKUTYATMJZRI-INIZCTEOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296679372 465229481 /nfs/dbraw/zinc/22/94/81/465229481.db2.gz BFKKWPKORYYBOG-SOUVJXGZSA-N 1 2 332.448 2.494 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2c(C)cccc2Cl)C1=O ZINC000337201915 465241605 /nfs/dbraw/zinc/24/16/05/465241605.db2.gz DMKKEKLBOXWHKJ-CQSZACIVSA-N 1 2 335.835 2.306 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2Cl)C1=O ZINC000337201915 465241614 /nfs/dbraw/zinc/24/16/14/465241614.db2.gz DMKKEKLBOXWHKJ-CQSZACIVSA-N 1 2 335.835 2.306 20 30 EEEDLO CCn1cc[nH+]c1[C@H](NC(=O)[C@H]1CCCN1C(C)=O)C1CCOCC1 ZINC000329193746 465263127 /nfs/dbraw/zinc/26/31/27/465263127.db2.gz RNIPNLLVSWPNLQ-HZPDHXFCSA-N 1 2 348.447 2.338 20 30 EEEDLO C[C@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000297931921 465274303 /nfs/dbraw/zinc/27/43/03/465274303.db2.gz RGRXJIWGWOQAED-CYBMUJFWSA-N 1 2 341.864 2.339 20 30 EEEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2OC)CC1)C(C)C ZINC000297942945 465275717 /nfs/dbraw/zinc/27/57/17/465275717.db2.gz KFRWAHTVYQKSED-KRWDZBQOSA-N 1 2 329.444 2.180 20 30 EEEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000329350185 465308469 /nfs/dbraw/zinc/30/84/69/465308469.db2.gz DEWDMULVSDCDRR-CYBMUJFWSA-N 1 2 338.477 2.211 20 30 EEEDLO C#C[C@@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)C(C)C ZINC000490963639 468276986 /nfs/dbraw/zinc/27/69/86/468276986.db2.gz WUHGADZJIODAAZ-HLLBOEOZSA-N 1 2 344.459 2.152 20 30 EEEDLO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)Nc2sccc2C#N)cc1 ZINC000112995917 462560905 /nfs/dbraw/zinc/56/09/05/462560905.db2.gz ZXBLOUNNISOPBX-OAHLLOKOSA-N 1 2 345.424 2.232 20 30 EEEDLO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)Nc2sccc2C#N)cc1 ZINC000112995917 462560908 /nfs/dbraw/zinc/56/09/08/462560908.db2.gz ZXBLOUNNISOPBX-OAHLLOKOSA-N 1 2 345.424 2.232 20 30 EEEDLO C=CCN(CC=C)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000045876898 462627031 /nfs/dbraw/zinc/62/70/31/462627031.db2.gz KWSPQNNXLPSMGB-OAHLLOKOSA-N 1 2 330.432 2.190 20 30 EEEDLO C#CCNC(=O)C1CC[NH+](CC(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000491154343 468309960 /nfs/dbraw/zinc/30/99/60/468309960.db2.gz IPOVKTMDYCUVPV-UHFFFAOYSA-N 1 2 347.846 2.048 20 30 EEEDLO N#CCOc1cccc(CC(=O)N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000089636523 462701750 /nfs/dbraw/zinc/70/17/50/462701750.db2.gz YLYFQRCUIBJOLH-UHFFFAOYSA-N 1 2 339.395 2.069 20 30 EEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCSCc1ccccc1C#N ZINC000048106017 462861861 /nfs/dbraw/zinc/86/18/61/462861861.db2.gz IDONYMREDFQGIY-CQSZACIVSA-N 1 2 343.456 2.376 20 30 EEEDLO CCN(CC)C(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000119619920 462917038 /nfs/dbraw/zinc/91/70/38/462917038.db2.gz AINJUYXYGPYQIN-WMZOPIPTSA-N 1 2 328.460 2.126 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000051227052 463026109 /nfs/dbraw/zinc/02/61/09/463026109.db2.gz MTHOKYWJLOGOSY-MRXNPFEDSA-N 1 2 342.487 2.434 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C#N)c(Cl)c1 ZINC000552640607 468334732 /nfs/dbraw/zinc/33/47/32/468334732.db2.gz OZBAYVHFLXLMSG-DOMZBBRYSA-N 1 2 333.819 2.147 20 30 EEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C#N)c(Cl)c1 ZINC000552640609 468335284 /nfs/dbraw/zinc/33/52/84/468335284.db2.gz OZBAYVHFLXLMSG-SWLSCSKDSA-N 1 2 333.819 2.147 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cccnc2SC(F)(F)F)CC1 ZINC000068444195 463138253 /nfs/dbraw/zinc/13/82/53/463138253.db2.gz RFCCXOQCSWJOST-UHFFFAOYSA-N 1 2 343.374 2.475 20 30 EEEDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)on1 ZINC000157600326 463148138 /nfs/dbraw/zinc/14/81/38/463148138.db2.gz QQPJHIPSGSBVQG-UHFFFAOYSA-N 1 2 327.344 2.085 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1cnn(C)c1 ZINC000027216033 463184731 /nfs/dbraw/zinc/18/47/31/463184731.db2.gz YWTHCWYQGHZOJA-NSHDSACASA-N 1 2 343.456 2.301 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1cnn(C)c1 ZINC000027216033 463184738 /nfs/dbraw/zinc/18/47/38/463184738.db2.gz YWTHCWYQGHZOJA-NSHDSACASA-N 1 2 343.456 2.301 20 30 EEEDLO CCNc1nc(N[C@@H](C)c2ccc(C#N)cc2)nc(NC(C)(C)C)[nH+]1 ZINC000552975038 468343454 /nfs/dbraw/zinc/34/34/54/468343454.db2.gz JIVKKVMFVKPQJQ-LBPRGKRZSA-N 1 2 339.447 2.402 20 30 EEEDLO CCNc1nc(NC(C)(C)C)nc(N[C@@H](C)c2ccc(C#N)cc2)[nH+]1 ZINC000552975038 468343470 /nfs/dbraw/zinc/34/34/70/468343470.db2.gz JIVKKVMFVKPQJQ-LBPRGKRZSA-N 1 2 339.447 2.402 20 30 EEEDLO CCNc1nc(N[C@@H](C)c2ccc(C#N)cc2)[nH+]c(NC(C)(C)C)n1 ZINC000552975038 468343475 /nfs/dbraw/zinc/34/34/75/468343475.db2.gz JIVKKVMFVKPQJQ-LBPRGKRZSA-N 1 2 339.447 2.402 20 30 EEEDLO CC#CCNC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000136050141 463215393 /nfs/dbraw/zinc/21/53/93/463215393.db2.gz BJLGDFKXMOYKHK-UHFFFAOYSA-N 1 2 335.835 2.069 20 30 EEEDLO C#C[C@@H]1COCCN1C(=O)CCn1c(CCC)[nH+]c2ccccc21 ZINC000491297889 468344285 /nfs/dbraw/zinc/34/42/85/468344285.db2.gz SGGOOUMHVMZMJO-OAHLLOKOSA-N 1 2 325.412 2.240 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COCc3ccccc3)CC2)cc1 ZINC000069369480 463236041 /nfs/dbraw/zinc/23/60/41/463236041.db2.gz XEEYWUAAZVMHSM-UHFFFAOYSA-N 1 2 349.434 2.419 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1)C1CC1 ZINC000141772028 463355249 /nfs/dbraw/zinc/35/52/49/463355249.db2.gz LVBXKXXHAGOIJK-FUHWJXTLSA-N 1 2 331.416 2.069 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccco1)C[C@@H]1CCCO1)C1CC1 ZINC000141772028 463355257 /nfs/dbraw/zinc/35/52/57/463355257.db2.gz LVBXKXXHAGOIJK-FUHWJXTLSA-N 1 2 331.416 2.069 20 30 EEEDLO CCC[C@H](C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000568558552 468355378 /nfs/dbraw/zinc/35/53/78/468355378.db2.gz ZXACLSGSOVKAQS-GOEBONIOSA-N 1 2 332.423 2.145 20 30 EEEDLO O=C(NCC[NH+]1CCOCC1)c1ccc(C#Cc2ccccc2)cc1 ZINC000032656309 463385803 /nfs/dbraw/zinc/38/58/03/463385803.db2.gz OWBIIDKBVABRRX-UHFFFAOYSA-N 1 2 334.419 2.148 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(-c2ccccc2)no1 ZINC000081158317 463399536 /nfs/dbraw/zinc/39/95/36/463399536.db2.gz LWZAXZMUYPMHIW-UHFFFAOYSA-N 1 2 340.427 2.389 20 30 EEEDLO N#Cc1ccc(NCCCCN2CC[NH+](CCO)CC2)cc1Cl ZINC000071907730 463466233 /nfs/dbraw/zinc/46/62/33/463466233.db2.gz QAWFREFMBYXLBY-UHFFFAOYSA-N 1 2 336.867 2.014 20 30 EEEDLO C=CC[N@@H+](CCOc1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000072629714 463527247 /nfs/dbraw/zinc/52/72/47/463527247.db2.gz PBMRHWLLYMMTAQ-AWEZNQCLSA-N 1 2 341.498 2.462 20 30 EEEDLO C=CC[N@H+](CCOc1ccc(SC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000072629714 463527253 /nfs/dbraw/zinc/52/72/53/463527253.db2.gz PBMRHWLLYMMTAQ-AWEZNQCLSA-N 1 2 341.498 2.462 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc4c3OCCO4)CC2)nc1 ZINC000058185026 463550209 /nfs/dbraw/zinc/55/02/09/463550209.db2.gz UZRNZIHRTXFLEW-UHFFFAOYSA-N 1 2 336.395 2.047 20 30 EEEDLO C[C@@H](C#N)CN(C)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000083751660 463561490 /nfs/dbraw/zinc/56/14/90/463561490.db2.gz CWWMNDDXHAAJSK-HNNXBMFYSA-N 1 2 325.416 2.427 20 30 EEEDLO Cc1[nH+]c2cc(C)ccn2c1CN1CCN(C(=O)C(C)(C)C#N)CC1 ZINC000193726728 463732670 /nfs/dbraw/zinc/73/26/70/463732670.db2.gz JQYHOKSODAULCU-UHFFFAOYSA-N 1 2 339.443 2.145 20 30 EEEDLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(C(=O)C(C)(C)C#N)CC1 ZINC000193726728 463732674 /nfs/dbraw/zinc/73/26/74/463732674.db2.gz JQYHOKSODAULCU-UHFFFAOYSA-N 1 2 339.443 2.145 20 30 EEEDLO C=CCN(Cc1ccccc1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171225080 463819270 /nfs/dbraw/zinc/81/92/70/463819270.db2.gz ORJYTBKFWMRTKT-UHFFFAOYSA-N 1 2 331.460 2.495 20 30 EEEDLO C=CCN(Cc1ccccc1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171225080 463819274 /nfs/dbraw/zinc/81/92/74/463819274.db2.gz ORJYTBKFWMRTKT-UHFFFAOYSA-N 1 2 331.460 2.495 20 30 EEEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)NC2CCC(C)CC2)cs1 ZINC000178144737 463852188 /nfs/dbraw/zinc/85/21/88/463852188.db2.gz GXRFAPAHDKSJCU-AKJDGMEZSA-N 1 2 338.477 2.366 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3ccn(-c4ccccc4)n3)CC2)nc1 ZINC000195410690 464051287 /nfs/dbraw/zinc/05/12/87/464051287.db2.gz MGDPJEXQISQSCG-UHFFFAOYSA-N 1 2 344.422 2.461 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)CCCCC1 ZINC000186700922 464053558 /nfs/dbraw/zinc/05/35/58/464053558.db2.gz JOMWZFMSJSIXNG-FQEVSTJZSA-N 1 2 339.439 2.460 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)CCCCC1 ZINC000186700922 464053559 /nfs/dbraw/zinc/05/35/59/464053559.db2.gz JOMWZFMSJSIXNG-FQEVSTJZSA-N 1 2 339.439 2.460 20 30 EEEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H]1OCCc2ccccc21 ZINC000263682345 464152598 /nfs/dbraw/zinc/15/25/98/464152598.db2.gz IMSUYVIJPMYRDS-MJGOQNOKSA-N 1 2 327.428 2.041 20 30 EEEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H]1OCCc2ccccc21 ZINC000263682345 464152604 /nfs/dbraw/zinc/15/26/04/464152604.db2.gz IMSUYVIJPMYRDS-MJGOQNOKSA-N 1 2 327.428 2.041 20 30 EEEDLO CC(C)Cc1noc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292191678 464168859 /nfs/dbraw/zinc/16/88/59/464168859.db2.gz NFBAZUNUHNQAOS-AWEZNQCLSA-N 1 2 327.388 2.188 20 30 EEEDLO CC(C)Cc1noc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292191678 464168861 /nfs/dbraw/zinc/16/88/61/464168861.db2.gz NFBAZUNUHNQAOS-AWEZNQCLSA-N 1 2 327.388 2.188 20 30 EEEDLO CC(C)[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1nc(C2CC2)no1 ZINC000179819267 464193672 /nfs/dbraw/zinc/19/36/72/464193672.db2.gz XRXQMDFQDHFKTM-RHSMWYFYSA-N 1 2 331.420 2.042 20 30 EEEDLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000284462870 464200958 /nfs/dbraw/zinc/20/09/58/464200958.db2.gz QVSDNUOYVBUXGY-WOSRLPQWSA-N 1 2 333.432 2.283 20 30 EEEDLO CCc1ccc([C@H](C)NC(=O)[C@H](C)O[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000284462876 464201247 /nfs/dbraw/zinc/20/12/47/464201247.db2.gz QVSDNUOYVBUXGY-XEZPLFJOSA-N 1 2 333.432 2.283 20 30 EEEDLO CN(C)c1ccc(CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c[nH+]1 ZINC000280784434 464253020 /nfs/dbraw/zinc/25/30/20/464253020.db2.gz KMAJMZRWFSLSQU-KRWDZBQOSA-N 1 2 333.395 2.018 20 30 EEEDLO C=CC[C@H](CC)NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000280892352 464267436 /nfs/dbraw/zinc/26/74/36/464267436.db2.gz DBGVOSQRQWITBU-HOCLYGCPSA-N 1 2 332.448 2.461 20 30 EEEDLO Cc1cccn2cc(CNS(=O)(=O)c3ccc(F)cc3C#N)[nH+]c12 ZINC000180252067 464273751 /nfs/dbraw/zinc/27/37/51/464273751.db2.gz NBDDJVVCAANORS-UHFFFAOYSA-N 1 2 344.371 2.132 20 30 EEEDLO C[C@H]1C[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CCO1 ZINC000271229672 464288737 /nfs/dbraw/zinc/28/87/37/464288737.db2.gz SXMMVTVLCDNLOJ-QWHCGFSZSA-N 1 2 340.427 2.214 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1CC1 ZINC000271399930 464299041 /nfs/dbraw/zinc/29/90/41/464299041.db2.gz LJRLTSZQMSGOOM-UHFFFAOYSA-N 1 2 333.457 2.315 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1CC1 ZINC000271399930 464299047 /nfs/dbraw/zinc/29/90/47/464299047.db2.gz LJRLTSZQMSGOOM-UHFFFAOYSA-N 1 2 333.457 2.315 20 30 EEEDLO N#Cc1c(F)cccc1N1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000188560447 464311556 /nfs/dbraw/zinc/31/15/56/464311556.db2.gz ANOXPEBCNQHEEW-LLVKDONJSA-N 1 2 331.313 2.133 20 30 EEEDLO C=CCN(C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1)C1CC1 ZINC000271465602 464318732 /nfs/dbraw/zinc/31/87/32/464318732.db2.gz QGVYLXDLKJKNQN-SFHVURJKSA-N 1 2 329.444 2.420 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NCc2ccc(Cl)cc2)C1=O ZINC000281237197 464381419 /nfs/dbraw/zinc/38/14/19/464381419.db2.gz FTNPDZBLEUOFTK-XJKSGUPXSA-N 1 2 349.862 2.063 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NCc2ccc(Cl)cc2)C1=O ZINC000281237197 464381423 /nfs/dbraw/zinc/38/14/23/464381423.db2.gz FTNPDZBLEUOFTK-XJKSGUPXSA-N 1 2 349.862 2.063 20 30 EEEDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000293286424 464396858 /nfs/dbraw/zinc/39/68/58/464396858.db2.gz KAEOPPVUIWTLAL-OAHLLOKOSA-N 1 2 325.861 2.448 20 30 EEEDLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000293286424 464396866 /nfs/dbraw/zinc/39/68/66/464396866.db2.gz KAEOPPVUIWTLAL-OAHLLOKOSA-N 1 2 325.861 2.448 20 30 EEEDLO C=CCN1CC[C@@H]([NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)C1=O ZINC000281367067 464429173 /nfs/dbraw/zinc/42/91/73/464429173.db2.gz YEEICTMIHRQJHN-IAGOWNOFSA-N 1 2 328.391 2.025 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)C1=O ZINC000281403417 464442133 /nfs/dbraw/zinc/44/21/33/464442133.db2.gz QQFXOHLQUOIYCM-NWDGAFQWSA-N 1 2 342.365 2.395 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)C1=O ZINC000281403417 464442142 /nfs/dbraw/zinc/44/21/42/464442142.db2.gz QQFXOHLQUOIYCM-NWDGAFQWSA-N 1 2 342.365 2.395 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(C)cc2C)C1=O ZINC000281407995 464443378 /nfs/dbraw/zinc/44/33/78/464443378.db2.gz QZWFQKUDYGNSQD-WBVHZDCISA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(C)cc2C)C1=O ZINC000281407995 464443383 /nfs/dbraw/zinc/44/33/83/464443383.db2.gz QZWFQKUDYGNSQD-WBVHZDCISA-N 1 2 329.444 2.349 20 30 EEEDLO Cc1nn(C(C)C)cc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000281475999 464469746 /nfs/dbraw/zinc/46/97/46/464469746.db2.gz FLPMCGRKKVPOQK-AWEZNQCLSA-N 1 2 339.447 2.145 20 30 EEEDLO Cc1nn(C(C)C)cc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000281475999 464469752 /nfs/dbraw/zinc/46/97/52/464469752.db2.gz FLPMCGRKKVPOQK-AWEZNQCLSA-N 1 2 339.447 2.145 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1=O ZINC000281525628 464491089 /nfs/dbraw/zinc/49/10/89/464491089.db2.gz ZSJZXBWTPBMLLW-RKVPGOIHSA-N 1 2 341.455 2.071 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1=O ZINC000281525628 464491095 /nfs/dbraw/zinc/49/10/95/464491095.db2.gz ZSJZXBWTPBMLLW-RKVPGOIHSA-N 1 2 341.455 2.071 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1c1nncn1C ZINC000245598404 464498103 /nfs/dbraw/zinc/49/81/03/464498103.db2.gz LXJSQPDCVGURNQ-IAGOWNOFSA-N 1 2 342.443 2.120 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000245598404 464498107 /nfs/dbraw/zinc/49/81/07/464498107.db2.gz LXJSQPDCVGURNQ-IAGOWNOFSA-N 1 2 342.443 2.120 20 30 EEEDLO N#Cc1ccc(C(=O)NCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000175321478 464525390 /nfs/dbraw/zinc/52/53/90/464525390.db2.gz TYAXVWRLZFMMOY-UHFFFAOYSA-N 1 2 345.362 2.112 20 30 EEEDLO CC(C)(C)OC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)[C@H](C#N)C1 ZINC000285447712 464568573 /nfs/dbraw/zinc/56/85/73/464568573.db2.gz IUGMDDHZNFBNMD-OAHLLOKOSA-N 1 2 341.415 2.279 20 30 EEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1cccnc1C#N ZINC000281836673 464603772 /nfs/dbraw/zinc/60/37/72/464603772.db2.gz XMYKRCMUUROPAC-AWEZNQCLSA-N 1 2 345.428 2.086 20 30 EEEDLO C#C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1)C(C)C ZINC000282124056 464705844 /nfs/dbraw/zinc/70/58/44/464705844.db2.gz FUNFMNHWZBJEIH-CABCVRRESA-N 1 2 335.473 2.078 20 30 EEEDLO C[C@H](O)[C@@H]1CCN(c2cc(NCC3CCC(C#N)CC3)[nH+]cn2)C1 ZINC000591160144 468417972 /nfs/dbraw/zinc/41/79/72/468417972.db2.gz VTWCKVSHKOOABG-SLTXQBBLSA-N 1 2 329.448 2.426 20 30 EEEDLO C[C@H](O)[C@@H]1CCN(c2cc(NCC3CCC(C#N)CC3)nc[nH+]2)C1 ZINC000591160144 468417977 /nfs/dbraw/zinc/41/79/77/468417977.db2.gz VTWCKVSHKOOABG-SLTXQBBLSA-N 1 2 329.448 2.426 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(-c3cncnc3)cc2F)CC1 ZINC000275010187 464762299 /nfs/dbraw/zinc/76/22/99/464762299.db2.gz REMRLAMRUCTUKF-UHFFFAOYSA-N 1 2 338.386 2.064 20 30 EEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC(=O)N(C)Cc1cccs1 ZINC000266182537 464767559 /nfs/dbraw/zinc/76/75/59/464767559.db2.gz GLWUBDQPIWFCEI-LBPRGKRZSA-N 1 2 327.450 2.056 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCOC4(CCC4)C3)C2=O)cc1 ZINC000182976299 464769115 /nfs/dbraw/zinc/76/91/15/464769115.db2.gz QMYQLZSWFQFUMY-QGZVFWFLSA-N 1 2 325.412 2.309 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCOC4(CCC4)C3)C2=O)cc1 ZINC000182976299 464769120 /nfs/dbraw/zinc/76/91/20/464769120.db2.gz QMYQLZSWFQFUMY-QGZVFWFLSA-N 1 2 325.412 2.309 20 30 EEEDLO Cn1cc(C[NH+]2CCN(C(=O)NC3CCCCC3)CC2)cc1C#N ZINC000191222594 464801593 /nfs/dbraw/zinc/80/15/93/464801593.db2.gz OQMAFKOHMAVLME-UHFFFAOYSA-N 1 2 329.448 2.057 20 30 EEEDLO Cc1csc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 ZINC000192242800 464892317 /nfs/dbraw/zinc/89/23/17/464892317.db2.gz HOVNQTGJWBAIKH-HNNXBMFYSA-N 1 2 326.425 2.214 20 30 EEEDLO C=CCCN(C)C(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000276362969 464903028 /nfs/dbraw/zinc/90/30/28/464903028.db2.gz FZUSLYZFBOPLFW-HNNXBMFYSA-N 1 2 345.443 2.053 20 30 EEEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000249802140 464916728 /nfs/dbraw/zinc/91/67/28/464916728.db2.gz AIISDGXSHCBHQK-UONOGXRCSA-N 1 2 333.432 2.190 20 30 EEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000249802140 464916734 /nfs/dbraw/zinc/91/67/34/464916734.db2.gz AIISDGXSHCBHQK-UONOGXRCSA-N 1 2 333.432 2.190 20 30 EEEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c(C#N)c1C ZINC000177104637 464931720 /nfs/dbraw/zinc/93/17/20/464931720.db2.gz XCMMHVLBBRPMCH-ZDUSSCGKSA-N 1 2 348.472 2.153 20 30 EEEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c(C#N)c1C ZINC000177104637 464931722 /nfs/dbraw/zinc/93/17/22/464931722.db2.gz XCMMHVLBBRPMCH-ZDUSSCGKSA-N 1 2 348.472 2.153 20 30 EEEDLO CCOC(=O)[C@H]1CCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192785877 464997945 /nfs/dbraw/zinc/99/79/45/464997945.db2.gz CAXUQEGCQNOOBJ-DLBZAZTESA-N 1 2 341.411 2.081 20 30 EEEDLO CCOC(=O)[C@H]1CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192785877 464997949 /nfs/dbraw/zinc/99/79/49/464997949.db2.gz CAXUQEGCQNOOBJ-DLBZAZTESA-N 1 2 341.411 2.081 20 30 EEEDLO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356424761 465373831 /nfs/dbraw/zinc/37/38/31/465373831.db2.gz XGVWUCREDFYOMA-LBPRGKRZSA-N 1 2 326.322 2.080 20 30 EEEDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356424761 465373837 /nfs/dbraw/zinc/37/38/37/465373837.db2.gz XGVWUCREDFYOMA-LBPRGKRZSA-N 1 2 326.322 2.080 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@@H](c2ccccc2)C1 ZINC000329620291 465388344 /nfs/dbraw/zinc/38/83/44/465388344.db2.gz RDQMSNYJGVKDDA-RHSMWYFYSA-N 1 2 326.400 2.255 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@@H](c2ccccc2)C1 ZINC000329620291 465388349 /nfs/dbraw/zinc/38/83/49/465388349.db2.gz RDQMSNYJGVKDDA-RHSMWYFYSA-N 1 2 326.400 2.255 20 30 EEEDLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000329946293 465483557 /nfs/dbraw/zinc/48/35/57/465483557.db2.gz GHKGNUBJCDLZNI-JEBQAFNWSA-N 1 2 340.427 2.226 20 30 EEEDLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000329946293 465483560 /nfs/dbraw/zinc/48/35/60/465483560.db2.gz GHKGNUBJCDLZNI-JEBQAFNWSA-N 1 2 340.427 2.226 20 30 EEEDLO C[C@H](C(=O)Nc1cccc2ncccc21)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329946293 465483564 /nfs/dbraw/zinc/48/35/64/465483564.db2.gz GHKGNUBJCDLZNI-JEBQAFNWSA-N 1 2 340.427 2.226 20 30 EEEDLO C[C@H](C(=O)Nc1cccc2ncccc21)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329946293 465483569 /nfs/dbraw/zinc/48/35/69/465483569.db2.gz GHKGNUBJCDLZNI-JEBQAFNWSA-N 1 2 340.427 2.226 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000330069201 465523394 /nfs/dbraw/zinc/52/33/94/465523394.db2.gz GYYWZQVRGZCBMV-IIDMSEBBSA-N 1 2 335.448 2.438 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000330069201 465523396 /nfs/dbraw/zinc/52/33/96/465523396.db2.gz GYYWZQVRGZCBMV-IIDMSEBBSA-N 1 2 335.448 2.438 20 30 EEEDLO C[N@H+](C[C@H]1OCCc2ccccc21)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360293062 465554430 /nfs/dbraw/zinc/55/44/30/465554430.db2.gz PDGVRUXQRDVPHP-MOPGFXCFSA-N 1 2 335.407 2.330 20 30 EEEDLO C[N@@H+](C[C@H]1OCCc2ccccc21)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360293062 465554435 /nfs/dbraw/zinc/55/44/35/465554435.db2.gz PDGVRUXQRDVPHP-MOPGFXCFSA-N 1 2 335.407 2.330 20 30 EEEDLO O=C(N[C@H]1CCN(c2ccccc2F)C1)N1CCn2cc[nH+]c2C1 ZINC000330206268 465568796 /nfs/dbraw/zinc/56/87/96/465568796.db2.gz DCTUJGSTSQSORR-ZDUSSCGKSA-N 1 2 329.379 2.031 20 30 EEEDLO C[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)Cc2ccccc2O1 ZINC000330220306 465573260 /nfs/dbraw/zinc/57/32/60/465573260.db2.gz QDALUVULSAAKSQ-OCCSQVGLSA-N 1 2 326.400 2.464 20 30 EEEDLO C[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)Cc2ccccc2O1 ZINC000330220306 465573264 /nfs/dbraw/zinc/57/32/64/465573264.db2.gz QDALUVULSAAKSQ-OCCSQVGLSA-N 1 2 326.400 2.464 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000348580266 465698227 /nfs/dbraw/zinc/69/82/27/465698227.db2.gz XUZOWXXRTKZPFY-PRXAMGSTSA-N 1 2 335.452 2.461 20 30 EEEDLO CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299727482 465871401 /nfs/dbraw/zinc/87/14/01/465871401.db2.gz VHHNVXBBHNCAOD-UHFFFAOYSA-N 1 2 327.388 2.061 20 30 EEEDLO CC1CCN(S(=O)(=O)Cc2ccccc2C[NH2+]CCC#N)CC1 ZINC000580064154 468460250 /nfs/dbraw/zinc/46/02/50/468460250.db2.gz NMLMKCGHWMXDGB-UHFFFAOYSA-N 1 2 335.473 2.252 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3coc(C)n3)[C@@H]2CC)c1 ZINC001087718985 782123975 /nfs/dbraw/zinc/12/39/75/782123975.db2.gz UNZKNXCRURSMKP-ZWKOTPCHSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3coc(C)n3)[C@@H]2CC)c1 ZINC001087718985 782123982 /nfs/dbraw/zinc/12/39/82/782123982.db2.gz UNZKNXCRURSMKP-ZWKOTPCHSA-N 1 2 338.411 2.142 20 30 EEEDLO COC(C)(C)C[C@H](C)NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000331195079 465975699 /nfs/dbraw/zinc/97/56/99/465975699.db2.gz NAZASPKWMJCMJX-GUTXKFCHSA-N 1 2 338.452 2.347 20 30 EEEDLO CCc1nc(C)c(NC(=O)NCC(C)(C)[NH+]2CCOCC2)s1 ZINC000331202990 465977863 /nfs/dbraw/zinc/97/78/63/465977863.db2.gz RCHVBUYNNRGNEC-UHFFFAOYSA-N 1 2 326.466 2.451 20 30 EEEDLO Cc1noc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000594052866 468473389 /nfs/dbraw/zinc/47/33/89/468473389.db2.gz IJRQBRNBCHGQAV-UHFFFAOYSA-N 1 2 333.779 2.364 20 30 EEEDLO Cc1noc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000594052866 468473393 /nfs/dbraw/zinc/47/33/93/468473393.db2.gz IJRQBRNBCHGQAV-UHFFFAOYSA-N 1 2 333.779 2.364 20 30 EEEDLO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C[C@@H](C)O1 ZINC000363173442 466261706 /nfs/dbraw/zinc/26/17/06/466261706.db2.gz DSRNUOJHUMCIGK-ZAWLATJESA-N 1 2 341.455 2.394 20 30 EEEDLO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C[C@@H](C)O1 ZINC000363173442 466261709 /nfs/dbraw/zinc/26/17/09/466261709.db2.gz DSRNUOJHUMCIGK-ZAWLATJESA-N 1 2 341.455 2.394 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000367462838 466356229 /nfs/dbraw/zinc/35/62/29/466356229.db2.gz DYUQFZAKMPICHV-INIZCTEOSA-N 1 2 344.440 2.001 20 30 EEEDLO C=C(C)Cn1c(N2CC[C@H]([NH+]3CCOCC3)C2)nnc1C(C)(C)C ZINC000338843674 466420622 /nfs/dbraw/zinc/42/06/22/466420622.db2.gz FICFXEZPRFMPPD-HNNXBMFYSA-N 1 2 333.480 2.063 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000340991228 466495327 /nfs/dbraw/zinc/49/53/27/466495327.db2.gz UNSNHYTYUHVCLP-UHFFFAOYSA-N 1 2 330.428 2.263 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000340991228 466495331 /nfs/dbraw/zinc/49/53/31/466495331.db2.gz UNSNHYTYUHVCLP-UHFFFAOYSA-N 1 2 330.428 2.263 20 30 EEEDLO COc1cccc(C(=O)N2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)c1OC ZINC000338940764 466506649 /nfs/dbraw/zinc/50/66/49/466506649.db2.gz GLYIALGWLMAWRE-HUUCEWRRSA-N 1 2 343.427 2.154 20 30 EEEDLO N#Cc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)s1 ZINC000347288888 466539357 /nfs/dbraw/zinc/53/93/57/466539357.db2.gz KWNOKXHRCVMAMV-UHFFFAOYSA-N 1 2 333.457 2.385 20 30 EEEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1S(=O)(=O)[C@H](C)C#N ZINC000416442232 466734286 /nfs/dbraw/zinc/73/42/86/466734286.db2.gz SOMTXAAMBQMEML-TZMCWYRMSA-N 1 2 332.429 2.051 20 30 EEEDLO CC(C)OC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)C(C)C ZINC000411789345 466902505 /nfs/dbraw/zinc/90/25/05/466902505.db2.gz NFQWVRPTQMRLLK-KRWDZBQOSA-N 1 2 331.416 2.453 20 30 EEEDLO C[C@@H]1CCCN(C(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000376595693 466920889 /nfs/dbraw/zinc/92/08/89/466920889.db2.gz QBRPJQKHQNKXMS-MRXNPFEDSA-N 1 2 326.444 2.197 20 30 EEEDLO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1csnn1 ZINC000412042254 466977515 /nfs/dbraw/zinc/97/75/15/466977515.db2.gz OGMSMOXYULCRNH-RISCZKNCSA-N 1 2 327.413 2.256 20 30 EEEDLO Cc1cc(N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c(C#N)c[nH+]1 ZINC000425219685 467088739 /nfs/dbraw/zinc/08/87/39/467088739.db2.gz CEZRLEZUAZRIOI-ZDUSSCGKSA-N 1 2 344.440 2.107 20 30 EEEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000429237113 467315065 /nfs/dbraw/zinc/31/50/65/467315065.db2.gz JXPAPQWWGMMDQU-IFXJQAMLSA-N 1 2 344.434 2.145 20 30 EEEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000429237113 467315067 /nfs/dbraw/zinc/31/50/67/467315067.db2.gz JXPAPQWWGMMDQU-IFXJQAMLSA-N 1 2 344.434 2.145 20 30 EEEDLO COc1ccc(CN(C)C(=O)C[N@H+](C)CC(C)(C)C#N)cc1OC ZINC000433322195 467317310 /nfs/dbraw/zinc/31/73/10/467317310.db2.gz XAXRGTSMIFIBOD-UHFFFAOYSA-N 1 2 333.432 2.144 20 30 EEEDLO COc1ccc(CN(C)C(=O)C[N@@H+](C)CC(C)(C)C#N)cc1OC ZINC000433322195 467317315 /nfs/dbraw/zinc/31/73/15/467317315.db2.gz XAXRGTSMIFIBOD-UHFFFAOYSA-N 1 2 333.432 2.144 20 30 EEEDLO C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+](C)CC(C)(C)C#N ZINC000433322312 467317402 /nfs/dbraw/zinc/31/74/02/467317402.db2.gz ZVTNLIFHVZIJJQ-GJZGRUSLSA-N 1 2 345.443 2.155 20 30 EEEDLO C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+](C)CC(C)(C)C#N ZINC000433322312 467317407 /nfs/dbraw/zinc/31/74/07/467317407.db2.gz ZVTNLIFHVZIJJQ-GJZGRUSLSA-N 1 2 345.443 2.155 20 30 EEEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC3=NO[C@H](C)C3)c2C1 ZINC000378518005 467329149 /nfs/dbraw/zinc/32/91/49/467329149.db2.gz IXKIEHZMAIMZNM-GFCCVEGCSA-N 1 2 338.411 2.465 20 30 EEEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC3=NO[C@H](C)C3)c2C1 ZINC000378518005 467329153 /nfs/dbraw/zinc/32/91/53/467329153.db2.gz IXKIEHZMAIMZNM-GFCCVEGCSA-N 1 2 338.411 2.465 20 30 EEEDLO CN(C(=O)[C@@H](C#N)CCc1ccccc1)C(C)(C)C[NH+]1CCOCC1 ZINC000414042720 467367749 /nfs/dbraw/zinc/36/77/49/467367749.db2.gz OSAPBNUSCUEEPP-GOSISDBHSA-N 1 2 343.471 2.328 20 30 EEEDLO C=C(CC)CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000454026025 467564202 /nfs/dbraw/zinc/56/42/02/467564202.db2.gz IABRKSIRLGSFDB-UHFFFAOYSA-N 1 2 326.400 2.472 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000448907687 467605332 /nfs/dbraw/zinc/60/53/32/467605332.db2.gz IBDQFSLMBJRBFT-IPELMVKDSA-N 1 2 344.455 2.492 20 30 EEEDLO N#CC1(NC(=O)C[NH2+][C@@H](c2nccs2)c2ccccc2)CCC1 ZINC000527117849 467655109 /nfs/dbraw/zinc/65/51/09/467655109.db2.gz XOIHFOWNFIAJKL-OAHLLOKOSA-N 1 2 326.425 2.385 20 30 EEEDLO C=CCC1(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCCC1 ZINC000449839173 467725730 /nfs/dbraw/zinc/72/57/30/467725730.db2.gz LABWOTYJRGPIQJ-UHFFFAOYSA-N 1 2 332.448 2.290 20 30 EEEDLO N#Cc1cccc(NC(=O)C2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)c1 ZINC000492894596 467787048 /nfs/dbraw/zinc/78/70/48/467787048.db2.gz HIQYRJLIAURWHI-PLNGDYQASA-N 1 2 349.394 2.172 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1cc(Cl)c2c(c1)OCCO2 ZINC000493325478 467886927 /nfs/dbraw/zinc/88/69/27/467886927.db2.gz RRMRWQYMSCKUBY-VGOKWCNXSA-N 1 2 349.818 2.084 20 30 EEEDLO CCCOc1ccc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1OC ZINC000493330674 467887906 /nfs/dbraw/zinc/88/79/06/467887906.db2.gz YPMJDWROZLUSCE-IBHIWXBSSA-N 1 2 345.443 2.457 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccnc(OC2CCCCC2)c1 ZINC000516476530 468029438 /nfs/dbraw/zinc/02/94/38/468029438.db2.gz SMZVJHZLEYLUOJ-SFHVURJKSA-N 1 2 330.432 2.367 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000531988391 468089007 /nfs/dbraw/zinc/08/90/07/468089007.db2.gz RYJXMCBHHAZSOX-KYOSRNDESA-N 1 2 349.397 2.065 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000565658991 468135481 /nfs/dbraw/zinc/13/54/81/468135481.db2.gz BQRCBHYMFBNXHG-CQSZACIVSA-N 1 2 329.322 2.201 20 30 EEEDLO C[NH+](C)[C@@H](CNC(=O)c1cccc(C#N)n1)c1c(F)cccc1F ZINC000589421245 468149689 /nfs/dbraw/zinc/14/96/89/468149689.db2.gz DLGWYBVOQCHXAJ-HNNXBMFYSA-N 1 2 330.338 2.264 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)c1 ZINC000582337313 468524579 /nfs/dbraw/zinc/52/45/79/468524579.db2.gz XSVDAMCHBALJLU-UHFFFAOYSA-N 1 2 336.432 2.488 20 30 EEEDLO Cc1nc(N2CCN(C(=O)[C@H](C)Cc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000594340139 468556604 /nfs/dbraw/zinc/55/66/04/468556604.db2.gz SNUPCYMXXZRRGV-OAHLLOKOSA-N 1 2 349.438 2.184 20 30 EEEDLO C[C@@H]1SCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000592054586 468607408 /nfs/dbraw/zinc/60/74/08/468607408.db2.gz VYRBFTXNYRKZIC-YOEHRIQHSA-N 1 2 344.484 2.279 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc(C2CC2)c1 ZINC000570410710 468635690 /nfs/dbraw/zinc/63/56/90/468635690.db2.gz YDXXYMOFWXONTD-UHFFFAOYSA-N 1 2 327.428 2.252 20 30 EEEDLO COc1ccc(-c2noc([C@@H](C)[N@@H+]3CC[C@](O)(CC#N)C3)n2)cc1 ZINC000592149148 468638193 /nfs/dbraw/zinc/63/81/93/468638193.db2.gz JOCVFYGYKJRKIE-SJKOYZFVSA-N 1 2 328.372 2.157 20 30 EEEDLO COc1ccc(-c2noc([C@@H](C)[N@H+]3CC[C@](O)(CC#N)C3)n2)cc1 ZINC000592149148 468638198 /nfs/dbraw/zinc/63/81/98/468638198.db2.gz JOCVFYGYKJRKIE-SJKOYZFVSA-N 1 2 328.372 2.157 20 30 EEEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148810 468638965 /nfs/dbraw/zinc/63/89/65/468638965.db2.gz CFHCGQCFWVUDHQ-MEDUHNTESA-N 1 2 337.807 2.026 20 30 EEEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148810 468638969 /nfs/dbraw/zinc/63/89/69/468638969.db2.gz CFHCGQCFWVUDHQ-MEDUHNTESA-N 1 2 337.807 2.026 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(C#N)ccc1Cl)C(C)(C)CO ZINC000597849047 468692430 /nfs/dbraw/zinc/69/24/30/468692430.db2.gz ZDQATMISUFGIDU-CQSZACIVSA-N 1 2 346.818 2.435 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1C#N ZINC000597854974 468694069 /nfs/dbraw/zinc/69/40/69/468694069.db2.gz OCYNQFMUGXAVSV-LLVKDONJSA-N 1 2 348.472 2.231 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1C#N ZINC000597854974 468694075 /nfs/dbraw/zinc/69/40/75/468694075.db2.gz OCYNQFMUGXAVSV-LLVKDONJSA-N 1 2 348.472 2.231 20 30 EEEDLO N#Cc1ccc(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)cc1Cl ZINC000598342018 468836591 /nfs/dbraw/zinc/83/65/91/468836591.db2.gz BHFFDCQNAITPRB-UHFFFAOYSA-N 1 2 347.846 2.396 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)Cc1[nH]cc[nH+]1 ZINC000595399649 468839354 /nfs/dbraw/zinc/83/93/54/468839354.db2.gz NYZWKDUMARIUHE-JTQLQIEISA-N 1 2 329.429 2.291 20 30 EEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000595596195 468915936 /nfs/dbraw/zinc/91/59/36/468915936.db2.gz LSOCSHOVFZEDAN-CQSZACIVSA-N 1 2 341.415 2.185 20 30 EEEDLO CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632689 468931765 /nfs/dbraw/zinc/93/17/65/468931765.db2.gz PFVDKFXAHYLIHN-ZDUSSCGKSA-N 1 2 334.489 2.435 20 30 EEEDLO CSc1ccc(NC(=O)[C@H](C)[NH+]2CCN(CCC#N)CC2)cc1 ZINC000611175483 469182188 /nfs/dbraw/zinc/18/21/88/469182188.db2.gz GMVPBJYGDIBMRI-AWEZNQCLSA-N 1 2 332.473 2.267 20 30 EEEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599309031 469203580 /nfs/dbraw/zinc/20/35/80/469203580.db2.gz CVDZAPMZMVGPHL-CVEARBPZSA-N 1 2 346.427 2.104 20 30 EEEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599309031 469203590 /nfs/dbraw/zinc/20/35/90/469203590.db2.gz CVDZAPMZMVGPHL-CVEARBPZSA-N 1 2 346.427 2.104 20 30 EEEDLO N#Cc1cc(F)cc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000603071929 469251403 /nfs/dbraw/zinc/25/14/03/469251403.db2.gz GJYIJZWBFXISPA-UHFFFAOYSA-N 1 2 339.374 2.442 20 30 EEEDLO CC1(C)C[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1c1ccncc1 ZINC000596590813 469307921 /nfs/dbraw/zinc/30/79/21/469307921.db2.gz GSZHQPHOZOVHDD-QGZVFWFLSA-N 1 2 325.416 2.120 20 30 EEEDLO CC1(C)C[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1c1ccncc1 ZINC000596590813 469307923 /nfs/dbraw/zinc/30/79/23/469307923.db2.gz GSZHQPHOZOVHDD-QGZVFWFLSA-N 1 2 325.416 2.120 20 30 EEEDLO N#Cc1cncc(N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)n1 ZINC000603418217 469388089 /nfs/dbraw/zinc/38/80/89/469388089.db2.gz DNGOZWPCJPXKKX-UHFFFAOYSA-N 1 2 334.305 2.089 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)cc1 ZINC000603560173 469411919 /nfs/dbraw/zinc/41/19/19/469411919.db2.gz JRYMWPNJHHVWKL-UHFFFAOYSA-N 1 2 349.438 2.118 20 30 EEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC1CCN(CC#N)CC1 ZINC000619528844 469632439 /nfs/dbraw/zinc/63/24/39/469632439.db2.gz HOKMMZDNDAUTJH-INIZCTEOSA-N 1 2 344.463 2.128 20 30 EEEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1ccc(C#N)cc1 ZINC000609443087 469927259 /nfs/dbraw/zinc/92/72/59/469927259.db2.gz IJMZZQOFYWDTHE-IBGZPJMESA-N 1 2 345.406 2.188 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000609485316 469932055 /nfs/dbraw/zinc/93/20/55/469932055.db2.gz MZGMXFNEZGNCMY-QYZOEREBSA-N 1 2 346.519 2.333 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000609486514 469933220 /nfs/dbraw/zinc/93/32/20/469933220.db2.gz LMOBEQARTZZWRH-RBUKOAKNSA-N 1 2 340.471 2.172 20 30 EEEDLO COc1ccc(C[N@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000609671265 469953971 /nfs/dbraw/zinc/95/39/71/469953971.db2.gz ZIGVOJGBOCINGV-GOSISDBHSA-N 1 2 339.395 2.234 20 30 EEEDLO COc1ccc(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000609671265 469953973 /nfs/dbraw/zinc/95/39/73/469953973.db2.gz ZIGVOJGBOCINGV-GOSISDBHSA-N 1 2 339.395 2.234 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2ccccc2OCC(F)(F)F)nn1 ZINC000641132262 471218123 /nfs/dbraw/zinc/21/81/23/471218123.db2.gz HOEUJGVTLVJFFZ-UHFFFAOYSA-N 1 2 338.333 2.380 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000661121112 471632108 /nfs/dbraw/zinc/63/21/08/471632108.db2.gz UZRHILOPJDAQAE-WBVHZDCISA-N 1 2 344.459 2.462 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1nnc(CC(C)C)s1)[C@@H](C)COC ZINC000661241582 471685196 /nfs/dbraw/zinc/68/51/96/471685196.db2.gz BROLAFYAWJVGJP-LBPRGKRZSA-N 1 2 326.466 2.198 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1nnc(CC(C)C)s1)[C@@H](C)COC ZINC000661241582 471685201 /nfs/dbraw/zinc/68/52/01/471685201.db2.gz BROLAFYAWJVGJP-LBPRGKRZSA-N 1 2 326.466 2.198 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000662163038 472016352 /nfs/dbraw/zinc/01/63/52/472016352.db2.gz UICUTTOGWRNOJM-LRDDRELGSA-N 1 2 326.387 2.401 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000685783792 486184748 /nfs/dbraw/zinc/18/47/48/486184748.db2.gz YBZHAIOVLKGEPD-KBXCAEBGSA-N 1 2 335.448 2.158 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000685783792 486184755 /nfs/dbraw/zinc/18/47/55/486184755.db2.gz YBZHAIOVLKGEPD-KBXCAEBGSA-N 1 2 335.448 2.158 20 30 EEEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CCCC#N ZINC000291534302 533856031 /nfs/dbraw/zinc/85/60/31/533856031.db2.gz RJYNKZDEHJCKOI-KRWDZBQOSA-N 1 2 329.444 2.430 20 30 EEEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000192243019 534642787 /nfs/dbraw/zinc/64/27/87/534642787.db2.gz UYATWTBOTONACE-UHFFFAOYSA-N 1 2 330.819 2.354 20 30 EEEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000192243019 534642788 /nfs/dbraw/zinc/64/27/88/534642788.db2.gz UYATWTBOTONACE-UHFFFAOYSA-N 1 2 330.819 2.354 20 30 EEEDLO C=CCCCN(C)C(=O)C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000459856570 534698926 /nfs/dbraw/zinc/69/89/26/534698926.db2.gz MYEHCROVYYNJEL-UHFFFAOYSA-N 1 2 343.471 2.064 20 30 EEEDLO CC(C)[C@H](C(=O)NCc1ccc(C#N)s1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000421926137 534901500 /nfs/dbraw/zinc/90/15/00/534901500.db2.gz WTWPMZZUMSGIJZ-DVOMOZLQSA-N 1 2 335.473 2.370 20 30 EEEDLO CC(C)[C@H](C(=O)NCc1ccc(C#N)s1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000421926137 534901506 /nfs/dbraw/zinc/90/15/06/534901506.db2.gz WTWPMZZUMSGIJZ-DVOMOZLQSA-N 1 2 335.473 2.370 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2C)CC1 ZINC000338999046 526770551 /nfs/dbraw/zinc/77/05/51/526770551.db2.gz AXZLJDAWSFCKLV-SFHVURJKSA-N 1 2 346.471 2.418 20 30 EEEDLO C=CC1CC[NH+](CC(=O)Nc2nc(CC(=O)OCC)cs2)CC1 ZINC000111259476 526978520 /nfs/dbraw/zinc/97/85/20/526978520.db2.gz CXLLZZHGVXKVIR-UHFFFAOYSA-N 1 2 337.445 2.085 20 30 EEEDLO C=CC[N@@H+](CCC#N)CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000292159439 527658464 /nfs/dbraw/zinc/65/84/64/527658464.db2.gz KVWILGWLIYCFMX-UHFFFAOYSA-N 1 2 344.434 2.266 20 30 EEEDLO C=CC[N@H+](CCC#N)CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000292159439 527658469 /nfs/dbraw/zinc/65/84/69/527658469.db2.gz KVWILGWLIYCFMX-UHFFFAOYSA-N 1 2 344.434 2.266 20 30 EEEDLO CC[C@H](C)[C@H](O)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000112405044 529260547 /nfs/dbraw/zinc/26/05/47/529260547.db2.gz SSQYVYOAEFNDCD-SWLSCSKDSA-N 1 2 342.443 2.053 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)nn(C)c2OC)[C@H]1CC ZINC001087747258 782176117 /nfs/dbraw/zinc/17/61/17/782176117.db2.gz PSBYIDRAPLWXKW-QWHCGFSZSA-N 1 2 340.855 2.072 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)nn(C)c2OC)[C@H]1CC ZINC001087747258 782176123 /nfs/dbraw/zinc/17/61/23/782176123.db2.gz PSBYIDRAPLWXKW-QWHCGFSZSA-N 1 2 340.855 2.072 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000730275377 577014642 /nfs/dbraw/zinc/01/46/42/577014642.db2.gz BZLRTRFENXIACF-ROUUACIJSA-N 1 2 328.412 2.281 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000730275377 577014644 /nfs/dbraw/zinc/01/46/44/577014644.db2.gz BZLRTRFENXIACF-ROUUACIJSA-N 1 2 328.412 2.281 20 30 EEEDLO C[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732198202 577158314 /nfs/dbraw/zinc/15/83/14/577158314.db2.gz XOYBDPKIECAFFN-CYBMUJFWSA-N 1 2 329.297 2.292 20 30 EEEDLO C[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732198202 577158315 /nfs/dbraw/zinc/15/83/15/577158315.db2.gz XOYBDPKIECAFFN-CYBMUJFWSA-N 1 2 329.297 2.292 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CC(O)(C(C)C)C2)cc1 ZINC000773891254 577371688 /nfs/dbraw/zinc/37/16/88/577371688.db2.gz RWXZVJMQDJLXNO-MRXNPFEDSA-N 1 2 329.444 2.333 20 30 EEEDLO Cc1cc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)nc2)ccc1C#N ZINC000775047884 577427806 /nfs/dbraw/zinc/42/78/06/577427806.db2.gz FSTRKGSBRYBWCJ-UHFFFAOYSA-N 1 2 339.380 2.248 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000775856475 577447289 /nfs/dbraw/zinc/44/72/89/577447289.db2.gz VVGCWBMAONTBCZ-ABAIWWIYSA-N 1 2 347.381 2.273 20 30 EEEDLO COC(=O)c1ccc2c(c1)C(=O)N(C[NH+]1CCC(CC#N)CC1)C2 ZINC000776764674 577467401 /nfs/dbraw/zinc/46/74/01/577467401.db2.gz QKTVSPZRSIMPMY-UHFFFAOYSA-N 1 2 327.384 2.012 20 30 EEEDLO Nc1[nH+]cccc1C=Nn1cnc2sc3c(c2c1=O)CCCC3 ZINC000764657350 577486164 /nfs/dbraw/zinc/48/61/64/577486164.db2.gz IFOZBGOARRHRST-UHFFFAOYSA-N 1 2 325.397 2.196 20 30 EEEDLO C[C@@H](C(=O)OCc1cn2ccccc2c1C#N)[NH+]1CCSCC1 ZINC000759807379 577650703 /nfs/dbraw/zinc/65/07/03/577650703.db2.gz DWMFPKNOTFRNCZ-ZDUSSCGKSA-N 1 2 329.425 2.291 20 30 EEEDLO Cc1ccc(-c2n[nH]cc2C=NNc2ccc(-n3cc[nH+]c3)nn2)o1 ZINC000761854220 577690134 /nfs/dbraw/zinc/69/01/34/577690134.db2.gz BWLSDJGUSDITJV-UHFFFAOYSA-N 1 2 334.343 2.400 20 30 EEEDLO Cc1ccc(-c2n[nH]cc2CN=Nc2ccc(-n3cc[nH+]c3)nn2)o1 ZINC000761854220 577690135 /nfs/dbraw/zinc/69/01/35/577690135.db2.gz BWLSDJGUSDITJV-UHFFFAOYSA-N 1 2 334.343 2.400 20 30 EEEDLO CCc1ccccc1NC(=O)CNC(=O)C[N@H+](CCC#N)CC(C)C ZINC000755671010 577828951 /nfs/dbraw/zinc/82/89/51/577828951.db2.gz TZVZSSFMUUGNEN-UHFFFAOYSA-N 1 2 344.459 2.175 20 30 EEEDLO CCc1ccccc1NC(=O)CNC(=O)C[N@@H+](CCC#N)CC(C)C ZINC000755671010 577828952 /nfs/dbraw/zinc/82/89/52/577828952.db2.gz TZVZSSFMUUGNEN-UHFFFAOYSA-N 1 2 344.459 2.175 20 30 EEEDLO COCCC1N=NC(=S)N1N=Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000755755042 577830474 /nfs/dbraw/zinc/83/04/74/577830474.db2.gz WPLPJQMPENZUEM-UHFFFAOYSA-N 1 2 342.428 2.132 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000758034174 577868696 /nfs/dbraw/zinc/86/86/96/577868696.db2.gz FJFPOTNMPLQQCR-RISCZKNCSA-N 1 2 332.429 2.468 20 30 EEEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000823919322 607490258 /nfs/dbraw/zinc/49/02/58/607490258.db2.gz CBAAXEZYRWHQSL-UHFFFAOYSA-N 1 2 331.383 2.322 20 30 EEEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000823919322 607490259 /nfs/dbraw/zinc/49/02/59/607490259.db2.gz CBAAXEZYRWHQSL-UHFFFAOYSA-N 1 2 331.383 2.322 20 30 EEEDLO C[C@H](NC(=O)C1CCOCC1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969196195 674683408 /nfs/dbraw/zinc/68/34/08/674683408.db2.gz PWGSSDJSXIMOIZ-ZDUSSCGKSA-N 1 2 345.418 2.060 20 30 EEEDLO C[C@H](NC(=O)c1cscn1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969399121 674943384 /nfs/dbraw/zinc/94/33/84/674943384.db2.gz SKJRWMNXCURKAJ-NSHDSACASA-N 1 2 344.415 2.404 20 30 EEEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2c(F)cccc2F)C1 ZINC000969525745 675092229 /nfs/dbraw/zinc/09/22/29/675092229.db2.gz FBRBPEGNFMRLCI-LLVKDONJSA-N 1 2 344.365 2.415 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c3c(nn2C)CCCC3)C1 ZINC000969757944 675188044 /nfs/dbraw/zinc/18/80/44/675188044.db2.gz UWJJIQJKSAGJQU-GFCCVEGCSA-N 1 2 336.867 2.102 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2scnc2COC)C1 ZINC000970544454 675973676 /nfs/dbraw/zinc/97/36/76/675973676.db2.gz MXGWMYDAXBLURG-SNVBAGLBSA-N 1 2 329.853 2.092 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2snnc2C(C)C)C1 ZINC000970633990 676039108 /nfs/dbraw/zinc/03/91/08/676039108.db2.gz GRRQFDJBNZHOCF-SNVBAGLBSA-N 1 2 328.869 2.464 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2scc3c2OCCO3)C1 ZINC000970683038 676074767 /nfs/dbraw/zinc/07/47/67/676074767.db2.gz FMWAPWIVDOQYPD-JTQLQIEISA-N 1 2 342.848 2.322 20 30 EEEDLO Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)cc1F ZINC001038171996 675278796 /nfs/dbraw/zinc/27/87/96/675278796.db2.gz DCIWUQRGJOEHLY-OAHLLOKOSA-N 1 2 326.375 2.338 20 30 EEEDLO Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)cc1F ZINC001038171996 675278797 /nfs/dbraw/zinc/27/87/97/675278797.db2.gz DCIWUQRGJOEHLY-OAHLLOKOSA-N 1 2 326.375 2.338 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ncoc2C(F)(F)F)C1 ZINC000969999903 675371571 /nfs/dbraw/zinc/37/15/71/675371571.db2.gz HDKNPCDSUFDVKA-QMMMGPOBSA-N 1 2 337.729 2.496 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC000970047911 675420258 /nfs/dbraw/zinc/42/02/58/675420258.db2.gz QBHJRFFFLGLJOB-LBPRGKRZSA-N 1 2 345.834 2.274 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CC2(C)C)cc1C#N ZINC001038176155 675487138 /nfs/dbraw/zinc/48/71/38/675487138.db2.gz WBRLJIFHKOJBHW-HZPDHXFCSA-N 1 2 327.428 2.303 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CC2(C)C)cc1C#N ZINC001038176155 675487140 /nfs/dbraw/zinc/48/71/40/675487140.db2.gz WBRLJIFHKOJBHW-HZPDHXFCSA-N 1 2 327.428 2.303 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C(F)F)n(C)n2)C1 ZINC000970158055 675595938 /nfs/dbraw/zinc/59/59/38/675595938.db2.gz OOYNBXWZMNZZFJ-SECBINFHSA-N 1 2 332.782 2.160 20 30 EEEDLO Cc1nscc1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001038179339 675607717 /nfs/dbraw/zinc/60/77/17/675607717.db2.gz GXOXUOFJNISWJH-OAHLLOKOSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1nscc1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001038179339 675607718 /nfs/dbraw/zinc/60/77/18/675607718.db2.gz GXOXUOFJNISWJH-OAHLLOKOSA-N 1 2 326.425 2.328 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4cnn(CC)n4)C3)C2)C1 ZINC001041657635 675786009 /nfs/dbraw/zinc/78/60/09/675786009.db2.gz QXBIVYJPKBUTAB-LJQANCHMSA-N 1 2 343.475 2.079 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(CC[N@H+](Cc4cnn(CC)n4)C3)C2)C1 ZINC001041657635 675786011 /nfs/dbraw/zinc/78/60/11/675786011.db2.gz QXBIVYJPKBUTAB-LJQANCHMSA-N 1 2 343.475 2.079 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccn3cc(C)nc3c2)C1 ZINC000970422362 675873188 /nfs/dbraw/zinc/87/31/88/675873188.db2.gz AXGMFNWYLJPGQN-CYBMUJFWSA-N 1 2 332.835 2.445 20 30 EEEDLO Cc1ocnc1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971174512 676427295 /nfs/dbraw/zinc/42/72/95/676427295.db2.gz ZXWCBPSYKPNJJU-INIZCTEOSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1ocnc1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971174512 676427296 /nfs/dbraw/zinc/42/72/96/676427296.db2.gz ZXWCBPSYKPNJJU-INIZCTEOSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1c[nH]nc1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971516004 676607610 /nfs/dbraw/zinc/60/76/10/676607610.db2.gz FANNHLINCRTVJK-MRXNPFEDSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1c[nH]nc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971516004 676607611 /nfs/dbraw/zinc/60/76/11/676607611.db2.gz FANNHLINCRTVJK-MRXNPFEDSA-N 1 2 341.390 2.075 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC(O)(CNc2cc[nH+]c(C)n2)CC1 ZINC001067483993 678232686 /nfs/dbraw/zinc/23/26/86/678232686.db2.gz PZEFHOUDUATYJP-UHFFFAOYSA-N 1 2 332.448 2.153 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@@]2(C1)C[N@H+](C/C=C/c1ccccc1)CCO2 ZINC000972297862 678510236 /nfs/dbraw/zinc/51/02/36/678510236.db2.gz NKIGNFCUOJWAEK-IFKDRHBRSA-N 1 2 339.439 2.163 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@@]2(C1)C[N@@H+](C/C=C/c1ccccc1)CCO2 ZINC000972297862 678510237 /nfs/dbraw/zinc/51/02/37/678510237.db2.gz NKIGNFCUOJWAEK-IFKDRHBRSA-N 1 2 339.439 2.163 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)COc3cc(C)ccc3F)C2)C1 ZINC000972387726 678638908 /nfs/dbraw/zinc/63/89/08/678638908.db2.gz WKORIVZAPCEWIH-LJQANCHMSA-N 1 2 348.418 2.002 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)COc3cc(C)ccc3F)C2)C1 ZINC000972387726 678638909 /nfs/dbraw/zinc/63/89/09/678638909.db2.gz WKORIVZAPCEWIH-LJQANCHMSA-N 1 2 348.418 2.002 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Oc3ccccc3F)C2)C1 ZINC000972389104 678666536 /nfs/dbraw/zinc/66/65/36/678666536.db2.gz DOZYNWCQYQQBEI-KXBFYZLASA-N 1 2 348.418 2.082 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Oc3ccccc3F)C2)C1 ZINC000972389104 678666539 /nfs/dbraw/zinc/66/65/39/678666539.db2.gz DOZYNWCQYQQBEI-KXBFYZLASA-N 1 2 348.418 2.082 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cccc(Cl)c3)C2)C1 ZINC000972535577 679204502 /nfs/dbraw/zinc/20/45/02/679204502.db2.gz XMCHOUVIHYJTPR-SFHVURJKSA-N 1 2 334.847 2.372 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cccc(Cl)c3)C2)C1 ZINC000972535577 679204505 /nfs/dbraw/zinc/20/45/05/679204505.db2.gz XMCHOUVIHYJTPR-SFHVURJKSA-N 1 2 334.847 2.372 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3[C@H]4CCCCCC[C@H]34)C2)C1 ZINC000972572255 679327939 /nfs/dbraw/zinc/32/79/39/679327939.db2.gz PDUOFAQNCFXIJY-ABSDTBQOSA-N 1 2 330.472 2.139 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3[C@H]4CCCCCC[C@H]34)C2)C1 ZINC000972572255 679327940 /nfs/dbraw/zinc/32/79/40/679327940.db2.gz PDUOFAQNCFXIJY-ABSDTBQOSA-N 1 2 330.472 2.139 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cc(C)ccc3F)C2)C1 ZINC000972646439 679502079 /nfs/dbraw/zinc/50/20/79/679502079.db2.gz GGUZEGCNPFBWQC-FQEVSTJZSA-N 1 2 344.430 2.003 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cc(C)ccc3F)C2)C1 ZINC000972646439 679502081 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C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](F)C(C)C)[C@@H]2C1 ZINC001076145908 1188742093 /nfs/dbraw/zinc/74/20/93/1188742093.db2.gz APFILCOWBXPWMA-YNEHKIRRSA-N 1 2 333.245 2.422 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](F)C(C)C)[C@@H]2C1 ZINC001076145908 1188742096 /nfs/dbraw/zinc/74/20/96/1188742096.db2.gz APFILCOWBXPWMA-YNEHKIRRSA-N 1 2 333.245 2.422 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001105688840 1189335990 /nfs/dbraw/zinc/33/59/90/1189335990.db2.gz IHLWQKYDAZDJLZ-UONOGXRCSA-N 1 2 346.479 2.155 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCNC(=O)C1CCCCC1 ZINC001483397527 1190443093 /nfs/dbraw/zinc/44/30/93/1190443093.db2.gz WZAFWMVEJMRAKI-AWEZNQCLSA-N 1 2 343.899 2.262 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCNC(=O)C1CCCCC1 ZINC001483397527 1190443094 /nfs/dbraw/zinc/44/30/94/1190443094.db2.gz WZAFWMVEJMRAKI-AWEZNQCLSA-N 1 2 343.899 2.262 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](O)(CNC(=O)C(C)(CC)CC)C1 ZINC001484250351 1191288923 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349.862 2.359 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001033492847 1194645575 /nfs/dbraw/zinc/64/55/75/1194645575.db2.gz SINWOBCJZPJPBK-HZSPNIEDSA-N 1 2 327.266 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001033492847 1194645578 /nfs/dbraw/zinc/64/55/78/1194645578.db2.gz SINWOBCJZPJPBK-HZSPNIEDSA-N 1 2 327.266 2.474 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccc3ncccc32)C1 ZINC001108107604 1194925953 /nfs/dbraw/zinc/92/59/53/1194925953.db2.gz ZRUQWTAYZJCIFI-LJQANCHMSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccc3ncccc32)C1 ZINC001108107604 1194925956 /nfs/dbraw/zinc/92/59/56/1194925956.db2.gz ZRUQWTAYZJCIFI-LJQANCHMSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)OCCCO3)C1 ZINC001014729893 1224250928 /nfs/dbraw/zinc/25/09/28/1224250928.db2.gz SWAPRXCVPQZDTF-AWEZNQCLSA-N 1 2 336.819 2.405 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)OCCCO3)C1 ZINC001014729893 1224250935 /nfs/dbraw/zinc/25/09/35/1224250935.db2.gz SWAPRXCVPQZDTF-AWEZNQCLSA-N 1 2 336.819 2.405 20 30 EEEDLO CCc1cnc(C[N@H+]2CC[C@@H](N(CC)C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001033806203 1195312807 /nfs/dbraw/zinc/31/28/07/1195312807.db2.gz LCDRUQBEFJPPEA-OAHLLOKOSA-N 1 2 341.415 2.173 20 30 EEEDLO CCc1cnc(C[N@@H+]2CC[C@@H](N(CC)C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001033806203 1195312811 /nfs/dbraw/zinc/31/28/11/1195312811.db2.gz LCDRUQBEFJPPEA-OAHLLOKOSA-N 1 2 341.415 2.173 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2nnc3ccccc3n2)C1 ZINC001033902779 1195455086 /nfs/dbraw/zinc/45/50/86/1195455086.db2.gz QTIKVYNKHGUSPE-ZDUSSCGKSA-N 1 2 345.834 2.314 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2nnc3ccccc3n2)C1 ZINC001033902779 1195455088 /nfs/dbraw/zinc/45/50/88/1195455088.db2.gz QTIKVYNKHGUSPE-ZDUSSCGKSA-N 1 2 345.834 2.314 20 30 EEEDLO Cc1nsc(NCCCC[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)c1C#N ZINC001090156539 1195512681 /nfs/dbraw/zinc/51/26/81/1195512681.db2.gz 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C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+]([C@@H](C)c3nncn3C)C2)C1 ZINC001034389721 1196175989 /nfs/dbraw/zinc/17/59/89/1196175989.db2.gz UZPPXPGHADKXJH-GJZGRUSLSA-N 1 2 331.464 2.203 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+]([C@@H](C)c3nncn3C)C2)C1 ZINC001034389721 1196175992 /nfs/dbraw/zinc/17/59/92/1196175992.db2.gz UZPPXPGHADKXJH-GJZGRUSLSA-N 1 2 331.464 2.203 20 30 EEEDLO C=C(C)CCC(=O)N(C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001078976502 1196548373 /nfs/dbraw/zinc/54/83/73/1196548373.db2.gz WNCWRYAPCMAWBS-HNNXBMFYSA-N 1 2 332.448 2.148 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cncc3sccc32)C1 ZINC001108157554 1196709192 /nfs/dbraw/zinc/70/91/92/1196709192.db2.gz ZIACTCXCYNRACK-QGZVFWFLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cncc3sccc32)C1 ZINC001108157554 1196709196 /nfs/dbraw/zinc/70/91/96/1196709196.db2.gz ZIACTCXCYNRACK-QGZVFWFLSA-N 1 2 331.441 2.303 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](c2ccncc2)C(C)C)C1 ZINC001108160875 1196739691 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Cc1csc(C[N@H+]2CC[C@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000965917048 1219355470 /nfs/dbraw/zinc/35/54/70/1219355470.db2.gz PBNPCJNKOXCFQS-XHDPSFHLSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1csc(C[N@@H+]2CC[C@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000965917048 1219355473 /nfs/dbraw/zinc/35/54/73/1219355473.db2.gz PBNPCJNKOXCFQS-XHDPSFHLSA-N 1 2 343.456 2.292 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2C[N@@H+](Cc3ccns3)CC[C@@H]2C)c1 ZINC000968317263 1221204047 /nfs/dbraw/zinc/20/40/47/1221204047.db2.gz IQKXJCZLBPTOTE-GUYCJALGSA-N 1 2 340.452 2.160 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2C[N@H+](Cc3ccns3)CC[C@@H]2C)c1 ZINC000968317263 1221204052 /nfs/dbraw/zinc/20/40/52/1221204052.db2.gz IQKXJCZLBPTOTE-GUYCJALGSA-N 1 2 340.452 2.160 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnn(C(F)F)c2)C1 ZINC000968475101 1221334503 /nfs/dbraw/zinc/33/45/03/1221334503.db2.gz DZTLDJOJTYTVFI-SKDRFNHKSA-N 1 2 332.782 2.471 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnn(C(F)F)c2)C1 ZINC000968475101 1221334507 /nfs/dbraw/zinc/33/45/07/1221334507.db2.gz DZTLDJOJTYTVFI-SKDRFNHKSA-N 1 2 332.782 2.471 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC000968656086 1221468780 /nfs/dbraw/zinc/46/87/80/1221468780.db2.gz WRLPEMIYVKQMNC-WMLDXEAASA-N 1 2 328.460 2.142 20 30 EEEDLO CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC000968656086 1221468782 /nfs/dbraw/zinc/46/87/82/1221468782.db2.gz WRLPEMIYVKQMNC-WMLDXEAASA-N 1 2 328.460 2.142 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1cc(OC)no1 ZINC000968822404 1221599181 /nfs/dbraw/zinc/59/91/81/1221599181.db2.gz WFSHKTREUUPKAP-LBPRGKRZSA-N 1 2 327.812 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1cc(OC)no1 ZINC000968822404 1221599184 /nfs/dbraw/zinc/59/91/84/1221599184.db2.gz WFSHKTREUUPKAP-LBPRGKRZSA-N 1 2 327.812 2.410 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2Cc2nncn2C)CC1 ZINC000969013938 1221739190 /nfs/dbraw/zinc/73/91/90/1221739190.db2.gz KZRLGPHVSSXTFM-KRWDZBQOSA-N 1 2 345.491 2.422 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2Cc2nncn2C)CC1 ZINC000969013938 1221739192 /nfs/dbraw/zinc/73/91/92/1221739192.db2.gz KZRLGPHVSSXTFM-KRWDZBQOSA-N 1 2 345.491 2.422 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1coc(C)n1 ZINC000969038102 1221758349 /nfs/dbraw/zinc/75/83/49/1221758349.db2.gz VXEWDKSEOXQLNP-KSZLIROESA-N 1 2 347.459 2.435 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1coc(C)n1 ZINC000969038102 1221758353 /nfs/dbraw/zinc/75/83/53/1221758353.db2.gz VXEWDKSEOXQLNP-KSZLIROESA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001007402121 1222208476 /nfs/dbraw/zinc/20/84/76/1222208476.db2.gz UGXKEUCOTYHYTA-AWEZNQCLSA-N 1 2 333.819 2.128 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001007402121 1222208481 /nfs/dbraw/zinc/20/84/81/1222208481.db2.gz UGXKEUCOTYHYTA-AWEZNQCLSA-N 1 2 333.819 2.128 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(C)o2)C1 ZINC001007501911 1222264357 /nfs/dbraw/zinc/26/43/57/1222264357.db2.gz FBKQXFZPNLDHQU-OAHLLOKOSA-N 1 2 328.416 2.365 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@H+](Cc2cnc(C)o2)C1 ZINC001007501911 1222264360 /nfs/dbraw/zinc/26/43/60/1222264360.db2.gz FBKQXFZPNLDHQU-OAHLLOKOSA-N 1 2 328.416 2.365 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2c(C)[nH]cc2NC(C)=O)C1 ZINC001007713075 1222378120 /nfs/dbraw/zinc/37/81/20/1222378120.db2.gz PEIVBLZHAPUBGH-CYBMUJFWSA-N 1 2 338.839 2.228 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2c(C)[nH]cc2NC(C)=O)C1 ZINC001007713075 1222378122 /nfs/dbraw/zinc/37/81/22/1222378122.db2.gz PEIVBLZHAPUBGH-CYBMUJFWSA-N 1 2 338.839 2.228 20 30 EEEDLO CCc1n[nH]cc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001007755386 1222401704 /nfs/dbraw/zinc/40/17/04/1222401704.db2.gz HSHOHGYDHKGEMI-LBPRGKRZSA-N 1 2 343.456 2.300 20 30 EEEDLO CCc1n[nH]cc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001007755386 1222401705 /nfs/dbraw/zinc/40/17/05/1222401705.db2.gz HSHOHGYDHKGEMI-LBPRGKRZSA-N 1 2 343.456 2.300 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cccnc3OC)C2)cc1 ZINC001008143309 1222648437 /nfs/dbraw/zinc/64/84/37/1222648437.db2.gz BWPPBPJQOLHXJX-IBGZPJMESA-N 1 2 349.434 2.466 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cccnc3OC)C2)cc1 ZINC001008143309 1222648441 /nfs/dbraw/zinc/64/84/41/1222648441.db2.gz BWPPBPJQOLHXJX-IBGZPJMESA-N 1 2 349.434 2.466 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)c(C)[nH+]1 ZINC001008422071 1222825608 /nfs/dbraw/zinc/82/56/08/1222825608.db2.gz XRWRXZKGEXPNSN-SWLSCSKDSA-N 1 2 342.443 2.133 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)c3cnc(C)cn3)C2)c1 ZINC001008470675 1222865389 /nfs/dbraw/zinc/86/53/89/1222865389.db2.gz VEAQRKMXTSDJQR-MAUKXSAKSA-N 1 2 349.438 2.117 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)c3cnc(C)cn3)C2)c1 ZINC001008470675 1222865394 /nfs/dbraw/zinc/86/53/94/1222865394.db2.gz VEAQRKMXTSDJQR-MAUKXSAKSA-N 1 2 349.438 2.117 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NCCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095921866 1223252222 /nfs/dbraw/zinc/25/22/22/1223252222.db2.gz RSABXVLFYDMUPM-HNNXBMFYSA-N 1 2 344.459 2.033 20 30 EEEDLO Cc1nccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001009549029 1223282554 /nfs/dbraw/zinc/28/25/54/1223282554.db2.gz BZLJCILYGSWSDN-KRWDZBQOSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1nccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001009549029 1223282557 /nfs/dbraw/zinc/28/25/57/1223282557.db2.gz BZLJCILYGSWSDN-KRWDZBQOSA-N 1 2 335.411 2.051 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccnc(F)c3)C2)c(F)c1 ZINC001010357935 1223679679 /nfs/dbraw/zinc/67/96/79/1223679679.db2.gz NCHDOMNFYPBPIC-OAHLLOKOSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccnc(F)c3)C2)c(F)c1 ZINC001010357935 1223679681 /nfs/dbraw/zinc/67/96/81/1223679681.db2.gz NCHDOMNFYPBPIC-OAHLLOKOSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(F)nc3)C2)c(F)c1 ZINC001010383840 1223692688 /nfs/dbraw/zinc/69/26/88/1223692688.db2.gz HRZALHJGBPFYEF-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(F)nc3)C2)c(F)c1 ZINC001010383840 1223692689 /nfs/dbraw/zinc/69/26/89/1223692689.db2.gz HRZALHJGBPFYEF-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CCCCO1 ZINC001010629567 1223820797 /nfs/dbraw/zinc/82/07/97/1223820797.db2.gz MQFIYNPJHHMOHG-ROUUACIJSA-N 1 2 346.858 2.451 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CCCCO1 ZINC001010629567 1223820798 /nfs/dbraw/zinc/82/07/98/1223820798.db2.gz MQFIYNPJHHMOHG-ROUUACIJSA-N 1 2 346.858 2.451 20 30 EEEDLO COc1ccc(F)cc1C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010656663 1223836041 /nfs/dbraw/zinc/83/60/41/1223836041.db2.gz MURPVVPJFWSKRH-HNNXBMFYSA-N 1 2 342.374 2.038 20 30 EEEDLO COc1ccc(F)cc1C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010656663 1223836043 /nfs/dbraw/zinc/83/60/43/1223836043.db2.gz MURPVVPJFWSKRH-HNNXBMFYSA-N 1 2 342.374 2.038 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(F)cn3)C2)ccc1F ZINC001010718022 1223868017 /nfs/dbraw/zinc/86/80/17/1223868017.db2.gz MKUWKQAMKLEYMF-OAHLLOKOSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(F)cn3)C2)ccc1F ZINC001010718022 1223868020 /nfs/dbraw/zinc/86/80/20/1223868020.db2.gz MKUWKQAMKLEYMF-OAHLLOKOSA-N 1 2 342.349 2.236 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001010900666 1223962493 /nfs/dbraw/zinc/96/24/93/1223962493.db2.gz ZIAFUEFHVWIODO-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001014456361 1226637966 /nfs/dbraw/zinc/63/79/66/1226637966.db2.gz CDQONBPTUQQRSW-UXLLHSPISA-N 1 2 349.862 2.407 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001014456361 1226637971 /nfs/dbraw/zinc/63/79/71/1226637971.db2.gz CDQONBPTUQQRSW-UXLLHSPISA-N 1 2 349.862 2.407 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H](C[N@@H+](C)Cc3nnc(C)[nH]3)C2)C1 ZINC001017209227 1227233191 /nfs/dbraw/zinc/23/31/91/1227233191.db2.gz ZLHVJBVKYOXBDZ-OAHLLOKOSA-N 1 2 331.464 2.140 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H](C[N@H+](C)Cc3nnc(C)[nH]3)C2)C1 ZINC001017209227 1227233193 /nfs/dbraw/zinc/23/31/93/1227233193.db2.gz ZLHVJBVKYOXBDZ-OAHLLOKOSA-N 1 2 331.464 2.140 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2CCOCC2)c1 ZINC001017286266 1227301273 /nfs/dbraw/zinc/30/12/73/1227301273.db2.gz LIWBWWOBEBJFIE-KDURUIRLSA-N 1 2 339.439 2.160 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2CCOCC2)c1 ZINC001017286266 1227301278 /nfs/dbraw/zinc/30/12/78/1227301278.db2.gz LIWBWWOBEBJFIE-KDURUIRLSA-N 1 2 339.439 2.160 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2cc(OC)ccc21 ZINC001017603223 1227563991 /nfs/dbraw/zinc/56/39/91/1227563991.db2.gz KMPWKAWOSCNXJZ-FUHIMQAGSA-N 1 2 338.451 2.424 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2cc(OC)ccc21 ZINC001017603223 1227564000 /nfs/dbraw/zinc/56/40/00/1227564000.db2.gz KMPWKAWOSCNXJZ-FUHIMQAGSA-N 1 2 338.451 2.424 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1c1ccccc1 ZINC001017606588 1227566635 /nfs/dbraw/zinc/56/66/35/1227566635.db2.gz SNRCIYSADDZDNY-ZCNNSNEGSA-N 1 2 337.467 2.354 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1c1ccccc1 ZINC001017606588 1227566644 /nfs/dbraw/zinc/56/66/44/1227566644.db2.gz SNRCIYSADDZDNY-ZCNNSNEGSA-N 1 2 337.467 2.354 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncnc2ccsc21 ZINC001017607805 1227567059 /nfs/dbraw/zinc/56/70/59/1227567059.db2.gz GGLAGBXLGABXAX-BETUJISGSA-N 1 2 326.425 2.003 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncnc2ccsc21 ZINC001017607805 1227567066 /nfs/dbraw/zinc/56/70/66/1227567066.db2.gz GGLAGBXLGABXAX-BETUJISGSA-N 1 2 326.425 2.003 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C(C)(C)C)C1=O ZINC001017664610 1227616057 /nfs/dbraw/zinc/61/60/57/1227616057.db2.gz JPCKVKDVHSZEEL-MWDXBVQZSA-N 1 2 347.503 2.131 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C(C)(C)C)C1=O ZINC001017664610 1227616061 /nfs/dbraw/zinc/61/60/61/1227616061.db2.gz JPCKVKDVHSZEEL-MWDXBVQZSA-N 1 2 347.503 2.131 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccn(C(F)F)n2)c1 ZINC001038295893 1229728454 /nfs/dbraw/zinc/72/84/54/1229728454.db2.gz KRIKSVVDKVSTJY-AWEZNQCLSA-N 1 2 345.353 2.154 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccn(C(F)F)n2)c1 ZINC001038295893 1229728456 /nfs/dbraw/zinc/72/84/56/1229728456.db2.gz KRIKSVVDKVSTJY-AWEZNQCLSA-N 1 2 345.353 2.154 20 30 EEEDLO Cn1nc(C2CC2)cc1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038301618 1229731141 /nfs/dbraw/zinc/73/11/41/1229731141.db2.gz PACVYHMULIVNOK-QGZVFWFLSA-N 1 2 349.438 2.173 20 30 EEEDLO Cn1nc(C2CC2)cc1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038301618 1229731143 /nfs/dbraw/zinc/73/11/43/1229731143.db2.gz PACVYHMULIVNOK-QGZVFWFLSA-N 1 2 349.438 2.173 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2c[nH]cc2C)cc1C#N ZINC001039009408 1230233060 /nfs/dbraw/zinc/23/30/60/1230233060.db2.gz RXLKJKUXCWLBQQ-INIZCTEOSA-N 1 2 338.411 2.208 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2c[nH]cc2C)cc1C#N ZINC001039009408 1230233062 /nfs/dbraw/zinc/23/30/62/1230233062.db2.gz RXLKJKUXCWLBQQ-INIZCTEOSA-N 1 2 338.411 2.208 20 30 EEEDLO Cc1csc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)n1 ZINC001039373793 1230560360 /nfs/dbraw/zinc/56/03/60/1230560360.db2.gz OEURMICKPAOJAH-CVEARBPZSA-N 1 2 329.469 2.430 20 30 EEEDLO Cc1csc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)n1 ZINC001039373793 1230560363 /nfs/dbraw/zinc/56/03/63/1230560363.db2.gz OEURMICKPAOJAH-CVEARBPZSA-N 1 2 329.469 2.430 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccnn1C ZINC001039376427 1230562414 /nfs/dbraw/zinc/56/24/14/1230562414.db2.gz UUBBYRUALUIRAQ-KFWWJZLASA-N 1 2 336.867 2.341 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccnn1C ZINC001039376427 1230562417 /nfs/dbraw/zinc/56/24/17/1230562417.db2.gz UUBBYRUALUIRAQ-KFWWJZLASA-N 1 2 336.867 2.341 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c2c1CCC2 ZINC001039400130 1230582688 /nfs/dbraw/zinc/58/26/88/1230582688.db2.gz LNKAHWKMJHTRCA-OLZOCXBDSA-N 1 2 334.851 2.330 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c2c1CCC2 ZINC001039400130 1230582693 /nfs/dbraw/zinc/58/26/93/1230582693.db2.gz LNKAHWKMJHTRCA-OLZOCXBDSA-N 1 2 334.851 2.330 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@]3(CC[N@H+](Cc4cnon4)C3)C2)CC1 ZINC001041636834 1231632772 /nfs/dbraw/zinc/63/27/72/1231632772.db2.gz WJGDOPGPZPKTMA-GOSISDBHSA-N 1 2 330.432 2.240 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4cnon4)C3)C2)CC1 ZINC001041636834 1231632773 /nfs/dbraw/zinc/63/27/73/1231632773.db2.gz WJGDOPGPZPKTMA-GOSISDBHSA-N 1 2 330.432 2.240 20 30 EEEDLO C[C@H](CC(=O)N(C)CCCN(C)C(=O)C#CC(C)(C)C)n1cc[nH+]c1 ZINC001067382580 1231847099 /nfs/dbraw/zinc/84/70/99/1231847099.db2.gz QMRKGHJKSXKYGY-MRXNPFEDSA-N 1 2 346.475 2.191 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4nc(CC)no4)[C@H]3C2)C1 ZINC001042223992 1231966550 /nfs/dbraw/zinc/96/65/50/1231966550.db2.gz IGEBIOBLLHOODV-GJZGRUSLSA-N 1 2 344.459 2.411 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@H+](Cc4nc(CC)no4)[C@H]3C2)C1 ZINC001042223992 1231966552 /nfs/dbraw/zinc/96/65/52/1231966552.db2.gz IGEBIOBLLHOODV-GJZGRUSLSA-N 1 2 344.459 2.411 20 30 EEEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001042628467 1232124639 /nfs/dbraw/zinc/12/46/39/1232124639.db2.gz JBUCZSQTXKKWQC-SNVBAGLBSA-N 1 2 341.242 2.226 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](CCOc2cccc(C)c2)C1 ZINC001043914490 1232623361 /nfs/dbraw/zinc/62/33/61/1232623361.db2.gz CUOBZNGLHCHDFK-MOPGFXCFSA-N 1 2 344.455 2.108 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3ncn(C)c3n1)C2 ZINC001096006929 1233462040 /nfs/dbraw/zinc/46/20/40/1233462040.db2.gz YGEDUTKZNFYUOO-UGFHNGPFSA-N 1 2 345.834 2.056 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3ncn(C)c3n1)C2 ZINC001096006929 1233462042 /nfs/dbraw/zinc/46/20/42/1233462042.db2.gz YGEDUTKZNFYUOO-UGFHNGPFSA-N 1 2 345.834 2.056 20 30 EEEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cccc4ccccc43)CC2)C1 ZINC001046081094 1234416150 /nfs/dbraw/zinc/41/61/50/1234416150.db2.gz FTFAPMMBYDDJSR-GOSISDBHSA-N 1 2 348.450 2.195 20 30 EEEDLO Cc1ncoc1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046215647 1234564394 /nfs/dbraw/zinc/56/43/94/1234564394.db2.gz FSZDDJBDAHWNFU-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ncoc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046215647 1234564397 /nfs/dbraw/zinc/56/43/97/1234564397.db2.gz FSZDDJBDAHWNFU-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)c2ccncc2C)C1 ZINC001046295271 1234639246 /nfs/dbraw/zinc/63/92/46/1234639246.db2.gz MXYISFYQVGSKRG-HNNXBMFYSA-N 1 2 338.249 2.493 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)c2ccncc2C)C1 ZINC001046295271 1234639248 /nfs/dbraw/zinc/63/92/48/1234639248.db2.gz MXYISFYQVGSKRG-HNNXBMFYSA-N 1 2 338.249 2.493 20 30 EEEDLO CCOC(=O)c1cnn2cc(C[N@H+](CCC#N)CC(C)C)cnc12 ZINC001413196095 1234684393 /nfs/dbraw/zinc/68/43/93/1234684393.db2.gz NZAPIEQFMWOQMD-UHFFFAOYSA-N 1 2 329.404 2.278 20 30 EEEDLO CCOC(=O)c1cnn2cc(C[N@@H+](CCC#N)CC(C)C)cnc12 ZINC001413196095 1234684395 /nfs/dbraw/zinc/68/43/95/1234684395.db2.gz NZAPIEQFMWOQMD-UHFFFAOYSA-N 1 2 329.404 2.278 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cn3c(n2)C[C@H](C)CC3)C1 ZINC001046418079 1234780128 /nfs/dbraw/zinc/78/01/28/1234780128.db2.gz NDRGBJVUCPXKJM-SJKOYZFVSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cn3c(n2)C[C@H](C)CC3)C1 ZINC001046418079 1234780132 /nfs/dbraw/zinc/78/01/32/1234780132.db2.gz NDRGBJVUCPXKJM-SJKOYZFVSA-N 1 2 336.867 2.412 20 30 EEEDLO C[C@]1(NC(=O)c2nccs2)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046724661 1235115411 /nfs/dbraw/zinc/11/54/11/1235115411.db2.gz NXSATCPZGSMUSA-SFHVURJKSA-N 1 2 325.437 2.389 20 30 EEEDLO C[C@]1(NC(=O)c2nccs2)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046724661 1235115415 /nfs/dbraw/zinc/11/54/15/1235115415.db2.gz NXSATCPZGSMUSA-SFHVURJKSA-N 1 2 325.437 2.389 20 30 EEEDLO Cc1cc(C)c(C(=O)NC[C@@H]2CN(CC#N)CCC2(F)F)c(C)[nH+]1 ZINC001046962545 1235362985 /nfs/dbraw/zinc/36/29/85/1235362985.db2.gz MWSMXKOVVCXILV-CQSZACIVSA-N 1 2 336.386 2.217 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2[nH]c(C)nc2C)C1 ZINC001046974379 1235377614 /nfs/dbraw/zinc/37/76/14/1235377614.db2.gz LJLKUHMCMKGOML-LBPRGKRZSA-N 1 2 346.809 2.466 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2[nH]c(C)nc2C)C1 ZINC001046974379 1235377616 /nfs/dbraw/zinc/37/76/16/1235377616.db2.gz LJLKUHMCMKGOML-LBPRGKRZSA-N 1 2 346.809 2.466 20 30 EEEDLO C[C@@H](C#N)OCC[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000801912826 1236409533 /nfs/dbraw/zinc/40/95/33/1236409533.db2.gz FQCSEWQBOGKEDH-NSHDSACASA-N 1 2 329.231 2.439 20 30 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C=C(C)CCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001056430299 1239369252 /nfs/dbraw/zinc/36/92/52/1239369252.db2.gz PAAUNJDVNIFSHJ-JKSUJKDBSA-N 1 2 344.459 2.291 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056526459 1239430405 /nfs/dbraw/zinc/43/04/05/1239430405.db2.gz FOQNAMWUPUZDNR-ARFHVFGLSA-N 1 2 344.459 2.146 20 30 EEEDLO CC(C)(C(=O)N1CC[C@@H](Nc2cccc(F)c2C#N)C1)c1c[nH+]c[nH]1 ZINC001056670508 1239610841 /nfs/dbraw/zinc/61/08/41/1239610841.db2.gz DLXBVHVWGVVNGG-GFCCVEGCSA-N 1 2 341.390 2.411 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C)s4)C[C@@H]3C2)CC1 ZINC001049028349 1239794736 /nfs/dbraw/zinc/79/47/36/1239794736.db2.gz ZIOOAYBTOIYMRZ-IYBDPMFKSA-N 1 2 346.500 2.483 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C)s4)C[C@@H]3C2)CC1 ZINC001049028349 1239794742 /nfs/dbraw/zinc/79/47/42/1239794742.db2.gz ZIOOAYBTOIYMRZ-IYBDPMFKSA-N 1 2 346.500 2.483 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N 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/nfs/dbraw/zinc/08/80/62/1241088062.db2.gz XRKXFSZYXIUYMR-BDXSIMOUSA-N 1 2 345.443 2.221 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn[nH]c1-c1ccccn1 ZINC001049519846 1241221044 /nfs/dbraw/zinc/22/10/44/1241221044.db2.gz USJXDQOBRDAADX-ROUUACIJSA-N 1 2 349.438 2.174 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn[nH]c1-c1ccccn1 ZINC001049519846 1241221054 /nfs/dbraw/zinc/22/10/54/1241221054.db2.gz USJXDQOBRDAADX-ROUUACIJSA-N 1 2 349.438 2.174 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ccn3ccnc3c2)CC1 ZINC001000945373 1241274827 /nfs/dbraw/zinc/27/48/27/1241274827.db2.gz BFYVGZOATBIQDG-UHFFFAOYSA-N 1 2 330.819 2.449 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ccn3ccnc3c2)CC1 ZINC001000945373 1241274834 /nfs/dbraw/zinc/27/48/34/1241274834.db2.gz BFYVGZOATBIQDG-UHFFFAOYSA-N 1 2 330.819 2.449 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2nonc2C)C1 ZINC001049707649 1241942524 /nfs/dbraw/zinc/94/25/24/1241942524.db2.gz NPVWCYGMPRTNEA-HZPDHXFCSA-N 1 2 330.432 2.300 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2nonc2C)C1 ZINC001049707649 1241942534 /nfs/dbraw/zinc/94/25/34/1241942534.db2.gz NPVWCYGMPRTNEA-HZPDHXFCSA-N 1 2 330.432 2.300 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001073406521 1242443138 /nfs/dbraw/zinc/44/31/38/1242443138.db2.gz YIIFOVMXHVWMPH-CQSZACIVSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cccc3n[nH]cc32)C1 ZINC001073724593 1242692899 /nfs/dbraw/zinc/69/28/99/1242692899.db2.gz YGNXOMKBCDFQCL-CYBMUJFWSA-N 1 2 348.834 2.136 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cccc3n[nH]cc32)C1 ZINC001073724593 1242692909 /nfs/dbraw/zinc/69/29/09/1242692909.db2.gz YGNXOMKBCDFQCL-CYBMUJFWSA-N 1 2 348.834 2.136 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)CCc3[nH]cc[nH+]3)[C@H](C)C2)C1 ZINC001073926925 1242777231 /nfs/dbraw/zinc/77/72/31/1242777231.db2.gz MKFFZAWVBPOXIA-CABCVRRESA-N 1 2 344.459 2.052 20 30 EEEDLO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(-c4nnc[nH]4)c3)[C@@H]2C1 ZINC001050111331 1242901149 /nfs/dbraw/zinc/90/11/49/1242901149.db2.gz DTJSHRDKKIJUBQ-DLBZAZTESA-N 1 2 337.427 2.194 20 30 EEEDLO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc(-c4nnc[nH]4)c3)[C@@H]2C1 ZINC001050111331 1242901158 /nfs/dbraw/zinc/90/11/58/1242901158.db2.gz DTJSHRDKKIJUBQ-DLBZAZTESA-N 1 2 337.427 2.194 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)nn1 ZINC001097054874 1243665561 /nfs/dbraw/zinc/66/55/61/1243665561.db2.gz CYBVHNMZUCCTCB-QRQLOZEOSA-N 1 2 347.422 2.192 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)nn1 ZINC001097054874 1243665567 /nfs/dbraw/zinc/66/55/67/1243665567.db2.gz CYBVHNMZUCCTCB-QRQLOZEOSA-N 1 2 347.422 2.192 20 30 EEEDLO C[C@@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)Nc1ncccc1C#N ZINC001098023527 1243678617 /nfs/dbraw/zinc/67/86/17/1243678617.db2.gz KUEACUYYXXJPIK-AWEZNQCLSA-N 1 2 346.394 2.369 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001097098334 1243696618 /nfs/dbraw/zinc/69/66/18/1243696618.db2.gz JWBLWONLRRNQPO-PRXAMGSTSA-N 1 2 328.420 2.025 20 30 EEEDLO Cc1cc(N2CCC[C@H](CNC(=O)[C@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001097297988 1243929465 /nfs/dbraw/zinc/92/94/65/1243929465.db2.gz LQNJZQNPXYEDCP-UKRRQHHQSA-N 1 2 329.448 2.401 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)nnn3C)C2 ZINC001097338331 1244014473 /nfs/dbraw/zinc/01/44/73/1244014473.db2.gz HVFOEVJBJHJMBX-IOASZLSFSA-N 1 2 345.834 2.056 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)nnn3C)C2 ZINC001097338331 1244014482 /nfs/dbraw/zinc/01/44/82/1244014482.db2.gz HVFOEVJBJHJMBX-IOASZLSFSA-N 1 2 345.834 2.056 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC(CNc2[nH+]cnc3c2cnn3C)CC1 ZINC001057529772 1244137371 /nfs/dbraw/zinc/13/73/71/1244137371.db2.gz SEXKQWVPBLQMRP-UHFFFAOYSA-N 1 2 342.447 2.226 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc2cc(C)ccn21 ZINC001050930771 1244650715 /nfs/dbraw/zinc/65/07/15/1244650715.db2.gz DZCHACNDHHEAQR-INIZCTEOSA-N 1 2 342.443 2.040 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc2cc(C)ccn21 ZINC001050930771 1244650718 /nfs/dbraw/zinc/65/07/18/1244650718.db2.gz DZCHACNDHHEAQR-INIZCTEOSA-N 1 2 342.443 2.040 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2cc(OC)ccc21 ZINC001050946994 1244690704 /nfs/dbraw/zinc/69/07/04/1244690704.db2.gz NABPOASMDKQLJE-APWZRJJASA-N 1 2 344.455 2.118 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2cc(OC)ccc21 ZINC001050946994 1244690713 /nfs/dbraw/zinc/69/07/13/1244690713.db2.gz NABPOASMDKQLJE-APWZRJJASA-N 1 2 344.455 2.118 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050991625 1244797545 /nfs/dbraw/zinc/79/75/45/1244797545.db2.gz BZOAMTTULHPUFI-GJZGRUSLSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050991625 1244797552 /nfs/dbraw/zinc/79/75/52/1244797552.db2.gz BZOAMTTULHPUFI-GJZGRUSLSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc2cccnc21 ZINC001051002999 1244826732 /nfs/dbraw/zinc/82/67/32/1244826732.db2.gz KDVOISUBJWANNQ-MRXNPFEDSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc2cccnc21 ZINC001051002999 1244826743 /nfs/dbraw/zinc/82/67/43/1244826743.db2.gz KDVOISUBJWANNQ-MRXNPFEDSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C)cc(OC)c1C ZINC001051005081 1244830435 /nfs/dbraw/zinc/83/04/35/1244830435.db2.gz UQEQQAIJGYZCKY-MRXNPFEDSA-N 1 2 332.444 2.319 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C)cc(OC)c1C ZINC001051005081 1244830452 /nfs/dbraw/zinc/83/04/52/1244830452.db2.gz UQEQQAIJGYZCKY-MRXNPFEDSA-N 1 2 332.444 2.319 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2c(c1)[C@@H](C)CO2 ZINC001051078190 1244944544 /nfs/dbraw/zinc/94/45/44/1244944544.db2.gz JXLBJQRNPQFOME-HOCLYGCPSA-N 1 2 330.428 2.189 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2c(c1)[C@@H](C)CO2 ZINC001051078190 1244944553 /nfs/dbraw/zinc/94/45/53/1244944553.db2.gz JXLBJQRNPQFOME-HOCLYGCPSA-N 1 2 330.428 2.189 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ncsc1C1CC1 ZINC001051117741 1245000111 /nfs/dbraw/zinc/00/01/11/1245000111.db2.gz IBUNOUDKKALXTM-AWEZNQCLSA-N 1 2 335.473 2.417 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ncsc1C1CC1 ZINC001051117741 1245000117 /nfs/dbraw/zinc/00/01/17/1245000117.db2.gz IBUNOUDKKALXTM-AWEZNQCLSA-N 1 2 335.473 2.417 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1[nH]c2ccccc2c1OC ZINC001051262759 1245452138 /nfs/dbraw/zinc/45/21/38/1245452138.db2.gz IWQMGUKCFSJYIF-CQSZACIVSA-N 1 2 343.427 2.183 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1[nH]c2ccccc2c1OC ZINC001051262759 1245452140 /nfs/dbraw/zinc/45/21/40/1245452140.db2.gz IWQMGUKCFSJYIF-CQSZACIVSA-N 1 2 343.427 2.183 20 30 EEEDLO N#CCN1CCc2c(CNC(=O)c3cccc4[nH+]ccn43)cccc2C1 ZINC001051293711 1245492063 /nfs/dbraw/zinc/49/20/63/1245492063.db2.gz WCMHQTQJERNYTE-UHFFFAOYSA-N 1 2 345.406 2.146 20 30 EEEDLO CCc1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)C#CC(C)C)C[C@]3(C)C2)s1 ZINC001101229671 1245545238 /nfs/dbraw/zinc/54/52/38/1245545238.db2.gz ISZOWDOIGJCBNT-KDOFPFPSSA-N 1 2 346.500 2.040 20 30 EEEDLO CCc1nnc(C[N@H+]2C[C@@H]3CN(C(=O)C#CC(C)C)C[C@]3(C)C2)s1 ZINC001101229671 1245545242 /nfs/dbraw/zinc/54/52/42/1245545242.db2.gz ISZOWDOIGJCBNT-KDOFPFPSSA-N 1 2 346.500 2.040 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H](C)[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001051673434 1246010439 /nfs/dbraw/zinc/01/04/39/1246010439.db2.gz ZTYYGEXAEJVPHW-GJZGRUSLSA-N 1 2 344.459 2.052 20 30 EEEDLO Cc1cccc(CCC[NH+]2CC3(C2)CN(C(=O)[C@@H](C)C#N)CCO3)c1 ZINC001053191671 1246031620 /nfs/dbraw/zinc/03/16/20/1246031620.db2.gz SHROSCUXEJTZDA-KRWDZBQOSA-N 1 2 341.455 2.001 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CC2(C[NH+](CC#CC)C2)n2ccnc21 ZINC001101637257 1246069686 /nfs/dbraw/zinc/06/96/86/1246069686.db2.gz ICWGGXQQJQWKKZ-HOTGVXAUSA-N 1 2 326.444 2.081 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCOC2(C[NH+](CC[C@@H](C)F)C2)C1 ZINC001053272357 1246124519 /nfs/dbraw/zinc/12/45/19/1246124519.db2.gz HQAZLRKTWIOBBX-GFCCVEGCSA-N 1 2 332.847 2.426 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cn(CC)nc1C(C)C)CCO2 ZINC001053450378 1246343315 /nfs/dbraw/zinc/34/33/15/1246343315.db2.gz HSGVUXIKDCHMNP-UHFFFAOYSA-N 1 2 346.475 2.129 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)c1cccc(F)c1)CCO2 ZINC001053536595 1246445655 /nfs/dbraw/zinc/44/56/55/1246445655.db2.gz XQQPHRYFCIDDPC-HNNXBMFYSA-N 1 2 332.419 2.419 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3[C@@H]4CCCCCC[C@@H]43)C2)CC1 ZINC001052087210 1246466300 /nfs/dbraw/zinc/46/63/00/1246466300.db2.gz OSXAEQZBGWIAAH-ZRNYENFQSA-N 1 2 343.515 2.055 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(C)cc3OC)C2)CC1 ZINC001052110943 1246492357 /nfs/dbraw/zinc/49/23/57/1246492357.db2.gz ZZSMMGQCIMOZSK-QGZVFWFLSA-N 1 2 343.471 2.022 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1occ3c1CCC3)O2 ZINC001053638560 1246572641 /nfs/dbraw/zinc/57/26/41/1246572641.db2.gz PHGAXGYWDMTYEK-HNNXBMFYSA-N 1 2 330.428 2.308 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1Cc3ccc(F)cc31)O2 ZINC001053652350 1246593424 /nfs/dbraw/zinc/59/34/24/1246593424.db2.gz URAMLYBSBAWMSD-SJLPKXTDSA-N 1 2 344.430 2.391 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(F)c(F)cc1F)O2 ZINC001053654823 1246597069 /nfs/dbraw/zinc/59/70/69/1246597069.db2.gz XFWDSJMWTJRSGS-LLVKDONJSA-N 1 2 340.345 2.253 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc(OC)c1F)O2 ZINC001053683396 1246641557 /nfs/dbraw/zinc/64/15/57/1246641557.db2.gz DFFXAFFXNHJPPS-CQSZACIVSA-N 1 2 348.418 2.374 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)O2 ZINC001053691113 1246658789 /nfs/dbraw/zinc/65/87/89/1246658789.db2.gz RDRQBNYHXPAYAI-OKZBNKHCSA-N 1 2 326.440 2.326 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1sc(C3CC3)nc1C)CO2 ZINC001053797776 1246801152 /nfs/dbraw/zinc/80/11/52/1246801152.db2.gz IHJZCXVTTBIVHJ-CQSZACIVSA-N 1 2 347.484 2.478 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3ccsc3[nH]1)CO2 ZINC001053887692 1246969069 /nfs/dbraw/zinc/96/90/69/1246969069.db2.gz OCZQLDVOPBIETJ-ZDUSSCGKSA-N 1 2 331.441 2.379 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1(c3cccc(F)c3)CC1)CO2 ZINC001053944030 1247046240 /nfs/dbraw/zinc/04/62/40/1247046240.db2.gz BRCWXJGCAOHOGL-KRWDZBQOSA-N 1 2 344.430 2.393 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1sccc1C(F)F)CO2 ZINC001053995819 1247125346 /nfs/dbraw/zinc/12/53/46/1247125346.db2.gz GJTBSADXMZYOJK-NSHDSACASA-N 1 2 340.395 2.282 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccncc1F ZINC001054037996 1247193542 /nfs/dbraw/zinc/19/35/42/1247193542.db2.gz SOZUGRPUMMYPFG-QGZVFWFLSA-N 1 2 337.398 2.401 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccncc1F ZINC001054037996 1247193545 /nfs/dbraw/zinc/19/35/45/1247193545.db2.gz SOZUGRPUMMYPFG-QGZVFWFLSA-N 1 2 337.398 2.401 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cncc(OC)c1C ZINC001054044768 1247218658 /nfs/dbraw/zinc/21/86/58/1247218658.db2.gz CDNWISUBSZQZBP-SFHVURJKSA-N 1 2 349.434 2.189 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cncc(OC)c1C ZINC001054044768 1247218664 /nfs/dbraw/zinc/21/86/64/1247218664.db2.gz CDNWISUBSZQZBP-SFHVURJKSA-N 1 2 349.434 2.189 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccnc(OCC)c1 ZINC001054052001 1247243932 /nfs/dbraw/zinc/24/39/32/1247243932.db2.gz MNEQHXIPMXOCJP-LJQANCHMSA-N 1 2 349.434 2.270 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccnc(OCC)c1 ZINC001054052001 1247243941 /nfs/dbraw/zinc/24/39/41/1247243941.db2.gz MNEQHXIPMXOCJP-LJQANCHMSA-N 1 2 349.434 2.270 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cn(CC)nc1C ZINC001054054327 1247247083 /nfs/dbraw/zinc/24/70/83/1247247083.db2.gz NUHGDJUTHBDFHD-GOSISDBHSA-N 1 2 336.439 2.001 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cn(CC)nc1C ZINC001054054327 1247247095 /nfs/dbraw/zinc/24/70/95/1247247095.db2.gz NUHGDJUTHBDFHD-GOSISDBHSA-N 1 2 336.439 2.001 20 30 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C#CCCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccns2)CCCO1 ZINC001149580583 1315993722 /nfs/dbraw/zinc/99/37/22/1315993722.db2.gz WAJGFPXDVOAGMN-OAHLLOKOSA-N 1 2 335.473 2.044 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@H+](Cc2nocc2C)CCCO1 ZINC001149772829 1316042554 /nfs/dbraw/zinc/04/25/54/1316042554.db2.gz RRAKWRMYKIYISC-OAHLLOKOSA-N 1 2 335.448 2.292 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2nocc2C)CCCO1 ZINC001149772829 1316042563 /nfs/dbraw/zinc/04/25/63/1316042563.db2.gz RRAKWRMYKIYISC-OAHLLOKOSA-N 1 2 335.448 2.292 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[N@H+](Cc2cc(C)n(C)n2)CCCO1 ZINC001150247866 1316215306 /nfs/dbraw/zinc/21/53/06/1316215306.db2.gz QZYKILIAYPYBOU-HKUYNNGSSA-N 1 2 348.491 2.038 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[N@@H+](Cc2cc(C)n(C)n2)CCCO1 ZINC001150247866 1316215310 /nfs/dbraw/zinc/21/53/10/1316215310.db2.gz QZYKILIAYPYBOU-HKUYNNGSSA-N 1 2 348.491 2.038 20 30 EEEDLO COCCC1(NC(=O)C#CC(C)C)CC[NH+](Cc2nccs2)CC1 ZINC001151114566 1316452514 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EEEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccncc1Cl ZINC001153327629 1316811893 /nfs/dbraw/zinc/81/18/93/1316811893.db2.gz QKCIHZGWWHEUQO-KGLIPLIRSA-N 1 2 337.851 2.100 20 30 EEEDLO C=CCC[C@H](C(=O)NCC[NH2+]Cc1nonc1C)c1ccccc1 ZINC001153817514 1316890817 /nfs/dbraw/zinc/89/08/17/1316890817.db2.gz PVWXQNDYAITTOE-INIZCTEOSA-N 1 2 328.416 2.334 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CC(=O)Nc1ccon1 ZINC001154589236 1317220782 /nfs/dbraw/zinc/22/07/82/1317220782.db2.gz WPMWWVSVLWCPFR-CYBMUJFWSA-N 1 2 336.436 2.042 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccon1 ZINC001154589236 1317220789 /nfs/dbraw/zinc/22/07/89/1317220789.db2.gz WPMWWVSVLWCPFR-CYBMUJFWSA-N 1 2 336.436 2.042 20 30 EEEDLO C#CCOC[C@H](O)C[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001251857759 1317510338 /nfs/dbraw/zinc/51/03/38/1317510338.db2.gz JNAQYDYEFKBEJN-HZPDHXFCSA-N 1 2 343.345 2.089 20 30 EEEDLO C#CCOC[C@H](O)C[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001251857759 1317510341 /nfs/dbraw/zinc/51/03/41/1317510341.db2.gz JNAQYDYEFKBEJN-HZPDHXFCSA-N 1 2 343.345 2.089 20 30 EEEDLO C=CCOC[C@H]1C[N@@H+](C[C@@H](O)CCCC)Cc2nnn(CC3CC3)c21 ZINC001252091117 1317553933 /nfs/dbraw/zinc/55/39/33/1317553933.db2.gz VDUCQOCABRMWDC-SJORKVTESA-N 1 2 348.491 2.341 20 30 EEEDLO C=CCOC[C@H]1C[N@H+](C[C@@H](O)CCCC)Cc2nnn(CC3CC3)c21 ZINC001252091117 1317553937 /nfs/dbraw/zinc/55/39/37/1317553937.db2.gz VDUCQOCABRMWDC-SJORKVTESA-N 1 2 348.491 2.341 20 30 EEEDLO C=CCOC[C@H](O)C[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC(C)(C)C ZINC001252473804 1317611396 /nfs/dbraw/zinc/61/13/96/1317611396.db2.gz QFMDLGGYHSTLQX-MSOLQXFVSA-N 1 2 347.455 2.319 20 30 EEEDLO C=CCOC[C@H](O)C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC(C)(C)C ZINC001252473804 1317611403 /nfs/dbraw/zinc/61/14/03/1317611403.db2.gz QFMDLGGYHSTLQX-MSOLQXFVSA-N 1 2 347.455 2.319 20 30 EEEDLO C=C[C@H](O)CNc1ccc[nH+]c1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253568291 1317884247 /nfs/dbraw/zinc/88/42/47/1317884247.db2.gz DIAYQKDJYYSUKJ-AWEZNQCLSA-N 1 2 348.447 2.098 20 30 EEEDLO CC[C@@H](CC#N)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001255168558 1318309271 /nfs/dbraw/zinc/30/92/71/1318309271.db2.gz SIBRRLZLKQFVOR-HOTGVXAUSA-N 1 2 325.416 2.481 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)Cc1ccc[nH]1 ZINC001157030647 1318356148 /nfs/dbraw/zinc/35/61/48/1318356148.db2.gz GSFYEZXAKOJLJA-GFCCVEGCSA-N 1 2 328.254 2.292 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)Cc1ccc[nH]1 ZINC001157030647 1318356157 /nfs/dbraw/zinc/35/61/57/1318356157.db2.gz GSFYEZXAKOJLJA-GFCCVEGCSA-N 1 2 328.254 2.292 20 30 EEEDLO C=CCOCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccon1 ZINC001157783366 1318857837 /nfs/dbraw/zinc/85/78/37/1318857837.db2.gz BQCMZHYYEILWAU-QGZVFWFLSA-N 1 2 335.448 2.470 20 30 EEEDLO C=CCOCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccon1 ZINC001157783366 1318857846 /nfs/dbraw/zinc/85/78/46/1318857846.db2.gz BQCMZHYYEILWAU-QGZVFWFLSA-N 1 2 335.448 2.470 20 30 EEEDLO C=CCOCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncccn1 ZINC001157784811 1318859424 /nfs/dbraw/zinc/85/94/24/1318859424.db2.gz SUWAGUYNKMNOFW-QGZVFWFLSA-N 1 2 346.475 2.272 20 30 EEEDLO C=CCOCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncccn1 ZINC001157784811 1318859431 /nfs/dbraw/zinc/85/94/31/1318859431.db2.gz SUWAGUYNKMNOFW-QGZVFWFLSA-N 1 2 346.475 2.272 20 30 EEEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nccn1C ZINC001157850418 1318904384 /nfs/dbraw/zinc/90/43/84/1318904384.db2.gz PKXRNMHDVZDPSU-QGZVFWFLSA-N 1 2 330.476 2.427 20 30 EEEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nccn1C ZINC001157850418 1318904385 /nfs/dbraw/zinc/90/43/85/1318904385.db2.gz PKXRNMHDVZDPSU-QGZVFWFLSA-N 1 2 330.476 2.427 20 30 EEEDLO N#Cc1ccc(C[NH2+]CCCNC(=O)C(F)C(F)(F)F)cc1F ZINC001158471396 1319256744 /nfs/dbraw/zinc/25/67/44/1319256744.db2.gz JUQFZLDNYQIRHU-GFCCVEGCSA-N 1 2 335.276 2.194 20 30 EEEDLO Cc1cccn2cc(CC(=O)N3CCCC[C@@H]3CN(C)CC#N)[nH+]c12 ZINC001158611829 1319333834 /nfs/dbraw/zinc/33/38/34/1319333834.db2.gz NKTPLFKRMGUEFD-QGZVFWFLSA-N 1 2 339.443 2.022 20 30 EEEDLO C=CCOC(=O)N[C@@H]1CCCN(c2nc(N3CCCC3)c(C)c[nH+]2)C1 ZINC001158907481 1319500294 /nfs/dbraw/zinc/50/02/94/1319500294.db2.gz RYPWXDKEEFAJAX-OAHLLOKOSA-N 1 2 345.447 2.266 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccn(CC)n1 ZINC001158949412 1319524499 /nfs/dbraw/zinc/52/44/99/1319524499.db2.gz NZTMTALFNAAOFE-FUHWJXTLSA-N 1 2 348.491 2.307 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccn(CC)n1 ZINC001158949412 1319524505 /nfs/dbraw/zinc/52/45/05/1319524505.db2.gz NZTMTALFNAAOFE-FUHWJXTLSA-N 1 2 348.491 2.307 20 30 EEEDLO C=CCCC(=O)NCCC1=CC[N@H+](Cc2noc3c2COCC3)CC1 ZINC001159544467 1319872478 /nfs/dbraw/zinc/87/24/78/1319872478.db2.gz QAKDBMMZAWXADB-UHFFFAOYSA-N 1 2 345.443 2.352 20 30 EEEDLO C=CCCC(=O)NCCC1=CC[N@@H+](Cc2noc3c2COCC3)CC1 ZINC001159544467 1319872488 /nfs/dbraw/zinc/87/24/88/1319872488.db2.gz QAKDBMMZAWXADB-UHFFFAOYSA-N 1 2 345.443 2.352 20 30 EEEDLO C#CCCCC(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC001159964453 1320035326 /nfs/dbraw/zinc/03/53/26/1320035326.db2.gz MEWNTRRZEDTIRF-HNNXBMFYSA-N 1 2 343.475 2.370 20 30 EEEDLO C#CCCCC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC001159964453 1320035332 /nfs/dbraw/zinc/03/53/32/1320035332.db2.gz MEWNTRRZEDTIRF-HNNXBMFYSA-N 1 2 343.475 2.370 20 30 EEEDLO CCc1nnc([C@@H](C)[N@H+]2CC=C(CCNC(=O)C#CC(C)C)CC2)[nH]1 ZINC001160054629 1320058696 /nfs/dbraw/zinc/05/86/96/1320058696.db2.gz DSEKSWFQJFXUBP-OAHLLOKOSA-N 1 2 343.475 2.226 20 30 EEEDLO CCc1nnc([C@@H](C)[N@@H+]2CC=C(CCNC(=O)C#CC(C)C)CC2)[nH]1 ZINC001160054629 1320058701 /nfs/dbraw/zinc/05/87/01/1320058701.db2.gz DSEKSWFQJFXUBP-OAHLLOKOSA-N 1 2 343.475 2.226 20 30 EEEDLO C#CCCCNc1ccc(CN2C(=O)NC3(CCCC3)C2=O)c[nH+]1 ZINC001162440316 1320857586 /nfs/dbraw/zinc/85/75/86/1320857586.db2.gz XVJNZJYQSSDHOZ-UHFFFAOYSA-N 1 2 326.400 2.272 20 30 EEEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCN(c4nccnc4Cl)CC3)c12 ZINC001164204216 1321315633 /nfs/dbraw/zinc/31/56/33/1321315633.db2.gz CPYRWFHOUJASLP-UHFFFAOYSA-N 1 2 339.790 2.205 20 30 EEEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC001203531698 1321906005 /nfs/dbraw/zinc/90/60/05/1321906005.db2.gz HUWGKWXTVPPXPC-UHFFFAOYSA-N 1 2 332.400 2.373 20 30 EEEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1Cc1ccccc1O ZINC001203551841 1321910595 /nfs/dbraw/zinc/91/05/95/1321910595.db2.gz QBPOQPHBFQKGQS-INIZCTEOSA-N 1 2 328.416 2.306 20 30 EEEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1Cc1ccccc1O ZINC001203551841 1321910598 /nfs/dbraw/zinc/91/05/98/1321910598.db2.gz QBPOQPHBFQKGQS-INIZCTEOSA-N 1 2 328.416 2.306 20 30 EEEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CCCOC ZINC001262977917 1322413421 /nfs/dbraw/zinc/41/34/21/1322413421.db2.gz RKRJPZOYSYCKKI-UHFFFAOYSA-N 1 2 346.479 2.030 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCOC2(CCC2)C1 ZINC001263301638 1322455157 /nfs/dbraw/zinc/45/51/57/1322455157.db2.gz VBSYFOSQXHEBTJ-OAHLLOKOSA-N 1 2 331.464 2.380 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCOC2(CCC2)C1 ZINC001263301638 1322455159 /nfs/dbraw/zinc/45/51/59/1322455159.db2.gz VBSYFOSQXHEBTJ-OAHLLOKOSA-N 1 2 331.464 2.380 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@H](CC)OCC)n2CC(=C)C)CC1 ZINC001263318993 1322459990 /nfs/dbraw/zinc/45/99/90/1322459990.db2.gz BIEVFPBWSRLCED-INIZCTEOSA-N 1 2 331.464 2.097 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CCCCc1c[nH]nn1 ZINC001265649187 1323294516 /nfs/dbraw/zinc/29/45/16/1323294516.db2.gz OSPZTEWSASIUPB-HNNXBMFYSA-N 1 2 339.871 2.241 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CCCCc1c[nH]nn1 ZINC001265649187 1323294524 /nfs/dbraw/zinc/29/45/24/1323294524.db2.gz OSPZTEWSASIUPB-HNNXBMFYSA-N 1 2 339.871 2.241 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C)s2)C[C@H]1C ZINC001206544765 1323528978 /nfs/dbraw/zinc/52/89/78/1323528978.db2.gz MBEHXGQEHHCFHH-CZUORRHYSA-N 1 2 349.500 2.075 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NCc2ccc(C)s2)C[C@H]1C ZINC001206544765 1323528982 /nfs/dbraw/zinc/52/89/82/1323528982.db2.gz MBEHXGQEHHCFHH-CZUORRHYSA-N 1 2 349.500 2.075 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2csc(CCC)n2)C[C@H]1C ZINC001206963712 1323751724 /nfs/dbraw/zinc/75/17/24/1323751724.db2.gz MDABPEIYCNRMSQ-IIAWOOMASA-N 1 2 349.500 2.070 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2csc(CCC)n2)C[C@H]1C ZINC001206963712 1323751730 /nfs/dbraw/zinc/75/17/30/1323751730.db2.gz MDABPEIYCNRMSQ-IIAWOOMASA-N 1 2 349.500 2.070 20 30 EEEDLO Cn1cc(C[N@@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cc1C#N ZINC001207104874 1323850870 /nfs/dbraw/zinc/85/08/70/1323850870.db2.gz ZQMHDMQAQDVQHG-YQVWRLOYSA-N 1 2 338.411 2.103 20 30 EEEDLO Cn1cc(C[N@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cc1C#N ZINC001207104874 1323850879 /nfs/dbraw/zinc/85/08/79/1323850879.db2.gz ZQMHDMQAQDVQHG-YQVWRLOYSA-N 1 2 338.411 2.103 20 30 EEEDLO C=CCN(CC[N@H+]1CCC[C@]1(C)C(=O)OC)C(=O)OC(C)(C)C ZINC001207198572 1323901752 /nfs/dbraw/zinc/90/17/52/1323901752.db2.gz HSCVXBXXIOMKAH-QGZVFWFLSA-N 1 2 326.437 2.437 20 30 EEEDLO C=CCN(CC[N@@H+]1CCC[C@]1(C)C(=O)OC)C(=O)OC(C)(C)C ZINC001207198572 1323901754 /nfs/dbraw/zinc/90/17/54/1323901754.db2.gz HSCVXBXXIOMKAH-QGZVFWFLSA-N 1 2 326.437 2.437 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2ncc(C)o2)C[C@H]1C)OCC ZINC001207255821 1323916699 /nfs/dbraw/zinc/91/66/99/1323916699.db2.gz QAYQAWRILOXXHM-FVQBIDKESA-N 1 2 335.448 2.291 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)o2)C[C@H]1C)OCC ZINC001207255821 1323916701 /nfs/dbraw/zinc/91/67/01/1323916701.db2.gz QAYQAWRILOXXHM-FVQBIDKESA-N 1 2 335.448 2.291 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)NCCCC ZINC001316599730 1324032318 /nfs/dbraw/zinc/03/23/18/1324032318.db2.gz FNLBORGWQHNSRR-CVEARBPZSA-N 1 2 337.508 2.426 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NCCCC ZINC001316599730 1324032323 /nfs/dbraw/zinc/03/23/23/1324032323.db2.gz FNLBORGWQHNSRR-CVEARBPZSA-N 1 2 337.508 2.426 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(Cl)cc1 ZINC001316604470 1324303602 /nfs/dbraw/zinc/30/36/02/1324303602.db2.gz GTIBEFMVELVYFS-CJNGLKHVSA-N 1 2 349.862 2.177 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(Cl)cc1 ZINC001316604470 1324303606 /nfs/dbraw/zinc/30/36/06/1324303606.db2.gz GTIBEFMVELVYFS-CJNGLKHVSA-N 1 2 349.862 2.177 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(OC)nn3)C[C@H]2C)CC1 ZINC001208500513 1324529427 /nfs/dbraw/zinc/52/94/27/1324529427.db2.gz RQACXZJTTVELHP-GDBMZVCRSA-N 1 2 344.459 2.168 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OC)nn3)C[C@H]2C)CC1 ZINC001208500513 1324529434 /nfs/dbraw/zinc/52/94/34/1324529434.db2.gz RQACXZJTTVELHP-GDBMZVCRSA-N 1 2 344.459 2.168 20 30 EEEDLO C=CCN(CC[NH+]1CCN(C(=O)CC(C)(C)C)CC1)C(=O)OCC ZINC001209020261 1324765092 /nfs/dbraw/zinc/76/50/92/1324765092.db2.gz FNLGKAUFDBZGSU-UHFFFAOYSA-N 1 2 339.480 2.211 20 30 EEEDLO COC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001209896119 1325088727 /nfs/dbraw/zinc/08/87/27/1325088727.db2.gz JMEFFXKWTPKHOM-PMUMKWKESA-N 1 2 347.434 2.306 20 30 EEEDLO COC[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001209896119 1325088738 /nfs/dbraw/zinc/08/87/38/1325088738.db2.gz JMEFFXKWTPKHOM-PMUMKWKESA-N 1 2 347.434 2.306 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2noc(CC(C)C)n2)C1 ZINC001316619574 1325701551 /nfs/dbraw/zinc/70/15/51/1325701551.db2.gz JFQIMBQKPUIDPY-OKILXGFUSA-N 1 2 334.464 2.465 20 30 EEEDLO C=C[C@@H](COC)NC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC001324020956 1333589885 /nfs/dbraw/zinc/58/98/85/1333589885.db2.gz CSNSYKGNUJATPG-KRWDZBQOSA-N 1 2 347.459 2.114 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@@H]1C ZINC001340315702 1337157893 /nfs/dbraw/zinc/15/78/93/1337157893.db2.gz JAEPSRGHRKINNU-JYJNAYRXSA-N 1 2 331.464 2.379 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@@H]1C ZINC001340315702 1337157896 /nfs/dbraw/zinc/15/78/96/1337157896.db2.gz JAEPSRGHRKINNU-JYJNAYRXSA-N 1 2 331.464 2.379 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@H]1CC ZINC001342127586 1337309688 /nfs/dbraw/zinc/30/96/88/1337309688.db2.gz BJRJYJPREFTAON-QGZVFWFLSA-N 1 2 347.507 2.437 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CCC#N)n2CC(=C)C)CC1 ZINC001342950903 1337324816 /nfs/dbraw/zinc/32/48/16/1337324816.db2.gz LRYFOPYLUUIHOE-MRXNPFEDSA-N 1 2 326.448 2.017 20 30 EEEDLO CC[C@@H](C(=O)[C@@H](C#N)C(=O)Nc1cccc(OC)c1)[NH+](CC)CC ZINC001343365267 1337333174 /nfs/dbraw/zinc/33/31/74/1337333174.db2.gz HPOBCOWZSASCEY-CVEARBPZSA-N 1 2 331.416 2.463 20 30 EEEDLO CC[C@@H](C(=O)C(C#N)C(=O)Nc1cccc(OC)c1)[NH+](CC)CC ZINC001343365267 1337333177 /nfs/dbraw/zinc/33/31/77/1337333177.db2.gz HPOBCOWZSASCEY-CVEARBPZSA-N 1 2 331.416 2.463 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](O)C1 ZINC001100061561 1337965613 /nfs/dbraw/zinc/96/56/13/1337965613.db2.gz DJWMQUVXYAEFFN-GHMZBOCLSA-N 1 2 342.789 2.269 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](O)C1 ZINC001100061561 1337965616 /nfs/dbraw/zinc/96/56/16/1337965616.db2.gz DJWMQUVXYAEFFN-GHMZBOCLSA-N 1 2 342.789 2.269 20 30 EEEDLO CCCCc1nc(C[NH2+]C2CC(CNC(=O)C#CC(C)C)C2)no1 ZINC001100309142 1338261702 /nfs/dbraw/zinc/26/17/02/1338261702.db2.gz JJDSLNLGLGTOAN-UHFFFAOYSA-N 1 2 332.448 2.056 20 30 EEEDLO Cc1cc(C)c(C(=O)NCCN(C)c2ccc(C#N)c(C)n2)c(C)[nH+]1 ZINC001100417823 1338350611 /nfs/dbraw/zinc/35/06/11/1338350611.db2.gz LQCJKLMDMFWNNV-UHFFFAOYSA-N 1 2 337.427 2.448 20 30 EEEDLO C=C(C)CCC(=O)N1CCCO[C@H](C[NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001200626754 1338479597 /nfs/dbraw/zinc/47/95/97/1338479597.db2.gz AEGPPLKZJVJICA-OAHLLOKOSA-N 1 2 348.447 2.010 20 30 EEEDLO COc1cc[nH+]cc1Cn1c(C2CC2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001555123300 1342404078 /nfs/dbraw/zinc/40/40/78/1342404078.db2.gz WMXFHIJKPDIKGW-QGZVFWFLSA-N 1 2 342.378 2.049 20 30 EEEDLO C[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589959590 1349080183 /nfs/dbraw/zinc/08/01/83/1349080183.db2.gz ZPCYXPSMTWBDTC-IAQYHMDHSA-N 1 2 346.394 2.262 20 30 EEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H](CC)C(=O)OCC ZINC001602858213 1350597139 /nfs/dbraw/zinc/59/71/39/1350597139.db2.gz JYIFHIICOQNPMQ-HNNXBMFYSA-N 1 2 329.404 2.196 20 30 EEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H](CC)C(=O)OCC ZINC001602858213 1350597143 /nfs/dbraw/zinc/59/71/43/1350597143.db2.gz JYIFHIICOQNPMQ-HNNXBMFYSA-N 1 2 329.404 2.196 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](CCOc2cc(C)ccc2C)C1 ZINC001030979436 1367488407 /nfs/dbraw/zinc/48/84/07/1367488407.db2.gz NUGJCQWEHBHIIW-MSOLQXFVSA-N 1 2 344.455 2.074 20 30 EEEDLO C=CCOCCCC(=O)N1CC[C@H]2C[N@H+](Cc3cscn3)C[C@H]21 ZINC001187472603 1368244827 /nfs/dbraw/zinc/24/48/27/1368244827.db2.gz MEBOUZMBOYCMIR-GOEBONIOSA-N 1 2 335.473 2.159 20 30 EEEDLO C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cscn3)C[C@H]21 ZINC001187472603 1368244831 /nfs/dbraw/zinc/24/48/31/1368244831.db2.gz MEBOUZMBOYCMIR-GOEBONIOSA-N 1 2 335.473 2.159 20 30 EEEDLO CC(=O)CCCC(=O)N1CC[C@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001188877750 1368321308 /nfs/dbraw/zinc/32/13/08/1368321308.db2.gz IEHRPBBGUHQERH-IBGZPJMESA-N 1 2 344.430 2.469 20 30 EEEDLO CC(=O)CCCC(=O)N1CC[C@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001188877750 1368321314 /nfs/dbraw/zinc/32/13/14/1368321314.db2.gz IEHRPBBGUHQERH-IBGZPJMESA-N 1 2 344.430 2.469 20 30 EEEDLO CCCOCC(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001195158642 1368504390 /nfs/dbraw/zinc/50/43/90/1368504390.db2.gz BBVYGAUJPAJXBZ-UHFFFAOYSA-N 1 2 332.419 2.138 20 30 EEEDLO CCCOCC(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001195158642 1368504394 /nfs/dbraw/zinc/50/43/94/1368504394.db2.gz BBVYGAUJPAJXBZ-UHFFFAOYSA-N 1 2 332.419 2.138 20 30 EEEDLO C#CCCCCC(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)CC)CC1 ZINC001195541575 1368551318 /nfs/dbraw/zinc/55/13/18/1368551318.db2.gz XQTUPXSVEQRATJ-UHFFFAOYSA-N 1 2 335.492 2.019 20 30 EEEDLO C#CCCCCC(=O)N1CCC[N@H+](CC(=O)NC(C)(C)CC)CC1 ZINC001195541575 1368551320 /nfs/dbraw/zinc/55/13/20/1368551320.db2.gz XQTUPXSVEQRATJ-UHFFFAOYSA-N 1 2 335.492 2.019 20 30 EEEDLO C=C(C)CN1CC[C@]2(CC[N@H+](CC(=O)c3cc(F)ccc3O)C2)C1=O ZINC001273780009 1368662188 /nfs/dbraw/zinc/66/21/88/1368662188.db2.gz PZBQFLFSFZHZBU-IBGZPJMESA-N 1 2 346.402 2.215 20 30 EEEDLO C=C(C)CN1CC[C@]2(CC[N@@H+](CC(=O)c3cc(F)ccc3O)C2)C1=O ZINC001273780009 1368662194 /nfs/dbraw/zinc/66/21/94/1368662194.db2.gz PZBQFLFSFZHZBU-IBGZPJMESA-N 1 2 346.402 2.215 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2c(O)cccc2Br)C1=O ZINC000862352995 1369531922 /nfs/dbraw/zinc/53/19/22/1369531922.db2.gz PXPKLTSURTXPSF-ZDUSSCGKSA-N 1 2 339.233 2.373 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2c(O)cccc2Br)C1=O ZINC000862352995 1369531926 /nfs/dbraw/zinc/53/19/26/1369531926.db2.gz PXPKLTSURTXPSF-ZDUSSCGKSA-N 1 2 339.233 2.373 20 30 EEEDLO CCO[C@H](C)c1noc(CO[NH+]=C(N)Cc2ccc(OC)cc2)n1 ZINC000120030857 1369597866 /nfs/dbraw/zinc/59/78/66/1369597866.db2.gz UASMVSAZODPYBZ-LLVKDONJSA-N 1 2 334.376 2.207 20 30 EEEDLO C=CCCC(=O)NC[C@@]1(C)CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001110919906 1369859456 /nfs/dbraw/zinc/85/94/56/1369859456.db2.gz KSXVJDOJBMEJON-GOSISDBHSA-N 1 2 342.447 2.052 20 30 EEEDLO CC(C)C[C@H](C(=O)NC[C@@H](C)Nc1ncccc1C#N)n1cc[nH+]c1 ZINC001098107695 1370298308 /nfs/dbraw/zinc/29/83/08/1370298308.db2.gz OGNCIHYRLWTHCC-GDBMZVCRSA-N 1 2 340.431 2.354 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(Cl)n(C)n2)CC[C@@H]1C ZINC001071667238 1370549280 /nfs/dbraw/zinc/54/92/80/1370549280.db2.gz VKLIHLJBCGCMTR-WDEREUQCSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(Cl)n(C)n2)CC[C@@H]1C ZINC001071667238 1370549287 /nfs/dbraw/zinc/54/92/87/1370549287.db2.gz VKLIHLJBCGCMTR-WDEREUQCSA-N 1 2 331.247 2.409 20 30 EEEDLO C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001073732401 1370916088 /nfs/dbraw/zinc/91/60/88/1370916088.db2.gz NWDJRMRJNYOFQH-XOKHGSTOSA-N 1 2 345.418 2.060 20 30 EEEDLO C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001073732401 1370916093 /nfs/dbraw/zinc/91/60/93/1370916093.db2.gz NWDJRMRJNYOFQH-XOKHGSTOSA-N 1 2 345.418 2.060 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCC(CCNc2cc[nH+]c(C)n2)CC1 ZINC001103621567 1371040786 /nfs/dbraw/zinc/04/07/86/1371040786.db2.gz SXVOHZPZFRXMIT-GOSISDBHSA-N 1 2 332.448 2.153 20 30 EEEDLO COCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)CCCC1 ZINC001389457137 1388133323 /nfs/dbraw/zinc/13/33/23/1388133323.db2.gz PVXAOLRQJFOALL-SFHVURJKSA-N 1 2 341.455 2.456 20 30 EEEDLO COCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CCCC1 ZINC001389457137 1388133329 /nfs/dbraw/zinc/13/33/29/1388133329.db2.gz PVXAOLRQJFOALL-SFHVURJKSA-N 1 2 341.455 2.456 20 30 EEEDLO C#CCOCCC(=O)N1C[C@H](C)[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001112327117 1371396201 /nfs/dbraw/zinc/39/62/01/1371396201.db2.gz LNBYTWPJKTZXNZ-GOEBONIOSA-N 1 2 344.459 2.207 20 30 EEEDLO C[C@@H](CCCNc1ccc(C#N)cn1)NC(=O)CCc1c[nH+]cn1C ZINC001114977148 1371467784 /nfs/dbraw/zinc/46/77/84/1371467784.db2.gz SXFDVEYITFRZEM-AWEZNQCLSA-N 1 2 340.431 2.016 20 30 EEEDLO C[C@H](CCCNc1ncc(C#N)cc1F)NC(=O)CCc1c[nH]c[nH+]1 ZINC001115106781 1371523177 /nfs/dbraw/zinc/52/31/77/1371523177.db2.gz ITVOOVBCJHEWQU-GFCCVEGCSA-N 1 2 344.394 2.145 20 30 EEEDLO C[C@H](CCCNc1ncc(C#N)cc1F)NC(=O)CCc1c[nH+]c[nH]1 ZINC001115106781 1371523180 /nfs/dbraw/zinc/52/31/80/1371523180.db2.gz ITVOOVBCJHEWQU-GFCCVEGCSA-N 1 2 344.394 2.145 20 30 EEEDLO C[C@H](C#N)C(=O)NC1CC2(C1)CC([NH2+]Cc1noc(C(C)(C)C)n1)C2 ZINC001120834219 1371831241 /nfs/dbraw/zinc/83/12/41/1371831241.db2.gz GERZHOXSJRLRNK-AZTHMUBRSA-N 1 2 345.447 2.044 20 30 EEEDLO C#CCOCCC(=O)N1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001123280451 1372115668 /nfs/dbraw/zinc/11/56/68/1372115668.db2.gz OIAFDPNVQRVSAD-ZBFHGGJFSA-N 1 2 342.443 2.104 20 30 EEEDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001139525705 1372512669 /nfs/dbraw/zinc/51/26/69/1372512669.db2.gz ILOGYAKLMRYPSN-LSDHHAIUSA-N 1 2 349.406 2.157 20 30 EEEDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001139525705 1372512674 /nfs/dbraw/zinc/51/26/74/1372512674.db2.gz ILOGYAKLMRYPSN-LSDHHAIUSA-N 1 2 349.406 2.157 20 30 EEEDLO O=C1C=C2C[N@H+](Cc3ccc(N4CCOCC4)cc3F)CC[C@@H]2S1 ZINC001140665337 1372629465 /nfs/dbraw/zinc/62/94/65/1372629465.db2.gz LNOKBYGOOFIJCB-KRWDZBQOSA-N 1 2 348.443 2.436 20 30 EEEDLO O=C1C=C2C[N@@H+](Cc3ccc(N4CCOCC4)cc3F)CC[C@@H]2S1 ZINC001140665337 1372629472 /nfs/dbraw/zinc/62/94/72/1372629472.db2.gz LNOKBYGOOFIJCB-KRWDZBQOSA-N 1 2 348.443 2.436 20 30 EEEDLO N#Cc1c(F)cc(C[N@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)cc1F ZINC001140755873 1372665115 /nfs/dbraw/zinc/66/51/15/1372665115.db2.gz WNPOCMFGMVNXIK-GFCCVEGCSA-N 1 2 334.301 2.419 20 30 EEEDLO N#Cc1c(F)cc(C[N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)cc1F ZINC001140755873 1372665118 /nfs/dbraw/zinc/66/51/18/1372665118.db2.gz WNPOCMFGMVNXIK-GFCCVEGCSA-N 1 2 334.301 2.419 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001100722125 1373136882 /nfs/dbraw/zinc/13/68/82/1373136882.db2.gz VLCWFWYTBIMNHK-CVEARBPZSA-N 1 2 344.459 2.196 20 30 EEEDLO COCC[N@H+](CCNC(=O)[C@H](C)C#N)[C@@H](C)c1ccc(F)cc1F ZINC001369550379 1374566416 /nfs/dbraw/zinc/56/64/16/1374566416.db2.gz OKLYILGZVFZVNF-OLZOCXBDSA-N 1 2 339.386 2.250 20 30 EEEDLO COCC[N@@H+](CCNC(=O)[C@H](C)C#N)[C@@H](C)c1ccc(F)cc1F ZINC001369550379 1374566420 /nfs/dbraw/zinc/56/64/20/1374566420.db2.gz OKLYILGZVFZVNF-OLZOCXBDSA-N 1 2 339.386 2.250 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C(F)C(F)(F)F)C2)c(F)c1 ZINC001370471712 1374953400 /nfs/dbraw/zinc/95/34/00/1374953400.db2.gz GXHADDDFSUJJOU-GVXVVHGQSA-N 1 2 347.287 2.335 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](F)C(F)(F)F)C2)c(F)c1 ZINC001370471712 1374953404 /nfs/dbraw/zinc/95/34/04/1374953404.db2.gz GXHADDDFSUJJOU-GVXVVHGQSA-N 1 2 347.287 2.335 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccnn1CC(F)F)C1CC1 ZINC001372801544 1376216723 /nfs/dbraw/zinc/21/67/23/1376216723.db2.gz CKSKLXVDLFFHEH-UHFFFAOYSA-N 1 2 332.782 2.095 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccnn1CC(F)F)C1CC1 ZINC001372801544 1376216728 /nfs/dbraw/zinc/21/67/28/1376216728.db2.gz CKSKLXVDLFFHEH-UHFFFAOYSA-N 1 2 332.782 2.095 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cccn(CC(C)C)c1=O ZINC001375119913 1377388229 /nfs/dbraw/zinc/38/82/29/1377388229.db2.gz PHTKYJNWNWCPSO-CQSZACIVSA-N 1 2 339.867 2.307 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cccn(CC(C)C)c1=O ZINC001375119913 1377388233 /nfs/dbraw/zinc/38/82/33/1377388233.db2.gz PHTKYJNWNWCPSO-CQSZACIVSA-N 1 2 339.867 2.307 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCCO1 ZINC001376927393 1378858944 /nfs/dbraw/zinc/85/89/44/1378858944.db2.gz QDXILUMJXZMPMC-CYBMUJFWSA-N 1 2 333.270 2.244 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCCCO1 ZINC001376927393 1378858945 /nfs/dbraw/zinc/85/89/45/1378858945.db2.gz QDXILUMJXZMPMC-CYBMUJFWSA-N 1 2 333.270 2.244 20 30 EEEDLO CCc1cccc(C)c1NC(=O)C[N@H+](CC)CCNC(=O)[C@H](C)C#N ZINC001377291291 1379109240 /nfs/dbraw/zinc/10/92/40/1379109240.db2.gz DWKASWSUEPMISG-OAHLLOKOSA-N 1 2 344.459 2.094 20 30 EEEDLO CCc1cccc(C)c1NC(=O)C[N@@H+](CC)CCNC(=O)[C@H](C)C#N ZINC001377291291 1379109242 /nfs/dbraw/zinc/10/92/42/1379109242.db2.gz DWKASWSUEPMISG-OAHLLOKOSA-N 1 2 344.459 2.094 20 30 EEEDLO CCCc1noc(C[NH2+]Cc2ccc(CNC(=O)[C@@H](C)C#N)cc2)n1 ZINC001378458852 1380002325 /nfs/dbraw/zinc/00/23/25/1380002325.db2.gz FRPWPQMZWHYOGQ-ZDUSSCGKSA-N 1 2 341.415 2.088 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)C1(C)CCOCC1 ZINC001379107647 1380521718 /nfs/dbraw/zinc/52/17/18/1380521718.db2.gz MRFPTDMJXKHIPU-UHFFFAOYSA-N 1 2 347.434 2.404 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)C1(C)CCOCC1 ZINC001379107647 1380521721 /nfs/dbraw/zinc/52/17/21/1380521721.db2.gz MRFPTDMJXKHIPU-UHFFFAOYSA-N 1 2 347.434 2.404 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cccn1 ZINC001380183125 1381098594 /nfs/dbraw/zinc/09/85/94/1381098594.db2.gz IYDRPBSQPJLLNG-CVEARBPZSA-N 1 2 336.867 2.481 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cccn1 ZINC001380183125 1381098599 /nfs/dbraw/zinc/09/85/99/1381098599.db2.gz IYDRPBSQPJLLNG-CVEARBPZSA-N 1 2 336.867 2.481 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1cccc(NC(C)=O)c1 ZINC001381631487 1381700534 /nfs/dbraw/zinc/70/05/34/1381700534.db2.gz UVMVGBVAVJKXJO-ZDUSSCGKSA-N 1 2 337.851 2.377 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1cccc(NC(C)=O)c1 ZINC001381631487 1381700537 /nfs/dbraw/zinc/70/05/37/1381700537.db2.gz UVMVGBVAVJKXJO-ZDUSSCGKSA-N 1 2 337.851 2.377 20 30 EEEDLO Cc1nnc([C@@H](C)[NH+]2CCC(N(C)C(=O)C#CC3CC3)CC2)s1 ZINC001752300027 1406269953 /nfs/dbraw/zinc/26/99/53/1406269953.db2.gz TUSAXPBKQXSDIH-GFCCVEGCSA-N 1 2 332.473 2.244 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)CCc2cnccn2)C1 ZINC001391398008 1389341658 /nfs/dbraw/zinc/34/16/58/1389341658.db2.gz AXBLPCWRESZIMC-IBGZPJMESA-N 1 2 349.438 2.062 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)CCc2cnccn2)C1 ZINC001391398008 1389341663 /nfs/dbraw/zinc/34/16/63/1389341663.db2.gz AXBLPCWRESZIMC-IBGZPJMESA-N 1 2 349.438 2.062 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)nn2C)C1 ZINC001752784825 1406403439 /nfs/dbraw/zinc/40/34/39/1406403439.db2.gz KIBFHUSGZUBZAW-AWEZNQCLSA-N 1 2 345.491 2.233 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2nc(C3CC3)nn2C)C1 ZINC001752784825 1406403443 /nfs/dbraw/zinc/40/34/43/1406403443.db2.gz KIBFHUSGZUBZAW-AWEZNQCLSA-N 1 2 345.491 2.233 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1nn(C)c2ccccc12 ZINC001394067669 1390602153 /nfs/dbraw/zinc/60/21/53/1390602153.db2.gz LRCVGNGLEXMLNB-ZDUSSCGKSA-N 1 2 334.851 2.305 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1nn(C)c2ccccc12 ZINC001394067669 1390602156 /nfs/dbraw/zinc/60/21/56/1390602156.db2.gz LRCVGNGLEXMLNB-ZDUSSCGKSA-N 1 2 334.851 2.305 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@H](C)[NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC001752898095 1406526614 /nfs/dbraw/zinc/52/66/14/1406526614.db2.gz AYUVGFUZAAQGCJ-HNNXBMFYSA-N 1 2 339.443 2.218 20 30 EEEDLO C=CCCC(=O)N(CC)[C@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccco2)C1 ZINC001753452895 1406744348 /nfs/dbraw/zinc/74/43/48/1406744348.db2.gz HHCZZKSJGCRBDP-HOTGVXAUSA-N 1 2 347.459 2.346 20 30 EEEDLO C=CCCC(=O)N(CC)[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2ccco2)C1 ZINC001753452895 1406744351 /nfs/dbraw/zinc/74/43/51/1406744351.db2.gz HHCZZKSJGCRBDP-HOTGVXAUSA-N 1 2 347.459 2.346 20 30 EEEDLO CO[C@@H](C)CC(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001399992367 1395780854 /nfs/dbraw/zinc/78/08/54/1395780854.db2.gz MBXHKAPAXCXFAG-ZDUSSCGKSA-N 1 2 333.407 2.203 20 30 EEEDLO CO[C@@H](C)CC(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001399992367 1395780857 /nfs/dbraw/zinc/78/08/57/1395780857.db2.gz MBXHKAPAXCXFAG-ZDUSSCGKSA-N 1 2 333.407 2.203 20 30 EEEDLO CO[C@H](C)c1nc(C[NH2+]C/C=C\CNC(=O)C#CC(C)C)cs1 ZINC001754131492 1406846442 /nfs/dbraw/zinc/84/64/42/1406846442.db2.gz JSLRUJONXHUFLL-GEXIGZQTSA-N 1 2 335.473 2.272 20 30 EEEDLO Cc1nn(C)c(Cl)c1C[N@@H+](C)C[C@H](C)NC(=O)C#CC(C)(C)C ZINC001754311427 1406888229 /nfs/dbraw/zinc/88/82/29/1406888229.db2.gz PFJUMISONXBYBN-LBPRGKRZSA-N 1 2 338.883 2.368 20 30 EEEDLO Cc1nn(C)c(Cl)c1C[N@H+](C)C[C@H](C)NC(=O)C#CC(C)(C)C ZINC001754311427 1406888237 /nfs/dbraw/zinc/88/82/37/1406888237.db2.gz PFJUMISONXBYBN-LBPRGKRZSA-N 1 2 338.883 2.368 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CC2CCCCC2)C1 ZINC001402227576 1397878790 /nfs/dbraw/zinc/87/87/90/1397878790.db2.gz DBQAWMJGPLTBSB-OAHLLOKOSA-N 1 2 341.883 2.016 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)CC2CCCCC2)C1 ZINC001402227576 1397878799 /nfs/dbraw/zinc/87/87/99/1397878799.db2.gz DBQAWMJGPLTBSB-OAHLLOKOSA-N 1 2 341.883 2.016 20 30 EEEDLO C=CC[C@H](C(=O)NCC1([NH2+]Cc2cnon2)CC1)c1ccccc1 ZINC001754534008 1406921420 /nfs/dbraw/zinc/92/14/20/1406921420.db2.gz BWMMZQSMXLBBNC-INIZCTEOSA-N 1 2 326.400 2.168 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ncnn1CCC ZINC001754861556 1406967287 /nfs/dbraw/zinc/96/72/87/1406967287.db2.gz GDNQOUVFXLZZDN-CVEARBPZSA-N 1 2 331.464 2.220 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ncnn1CCC ZINC001754861556 1406967292 /nfs/dbraw/zinc/96/72/92/1406967292.db2.gz GDNQOUVFXLZZDN-CVEARBPZSA-N 1 2 331.464 2.220 20 30 EEEDLO C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001754969099 1407014675 /nfs/dbraw/zinc/01/46/75/1407014675.db2.gz RBHYKGIMMYSRPP-AWEZNQCLSA-N 1 2 334.464 2.104 20 30 EEEDLO C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001754969099 1407014685 /nfs/dbraw/zinc/01/46/85/1407014685.db2.gz RBHYKGIMMYSRPP-AWEZNQCLSA-N 1 2 334.464 2.104 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H]([NH+]2CCN(CC(=C)C)CC2)C1 ZINC001755019266 1407038288 /nfs/dbraw/zinc/03/82/88/1407038288.db2.gz IOKOFIJCCNCWQW-QUCCMNQESA-N 1 2 349.519 2.010 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)[C@@H](C)COC)C2)C1 ZINC001403396703 1399792372 /nfs/dbraw/zinc/79/23/72/1399792372.db2.gz DJFBJRAAWAJPTP-LBPRGKRZSA-N 1 2 345.281 2.102 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)COC)C2)C1 ZINC001403396703 1399792380 /nfs/dbraw/zinc/79/23/80/1399792380.db2.gz DJFBJRAAWAJPTP-LBPRGKRZSA-N 1 2 345.281 2.102 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H](C)Cc1ccccc1)O2 ZINC001755056375 1407063142 /nfs/dbraw/zinc/06/31/42/1407063142.db2.gz BAQQEZIOVUNNLN-FUHWJXTLSA-N 1 2 328.456 2.401 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)COCC2CC2)C[C@@H]1C ZINC001424546404 1401165928 /nfs/dbraw/zinc/16/59/28/1401165928.db2.gz SQKFQJNTGNATIK-GXTWGEPZSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)COCC2CC2)C[C@@H]1C ZINC001424546404 1401165930 /nfs/dbraw/zinc/16/59/30/1401165930.db2.gz SQKFQJNTGNATIK-GXTWGEPZSA-N 1 2 345.281 2.291 20 30 EEEDLO C#CCCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1noc(-c2ccoc2)n1 ZINC001755234737 1407243016 /nfs/dbraw/zinc/24/30/16/1407243016.db2.gz TVODLFZBHQZSMA-OLZOCXBDSA-N 1 2 330.388 2.116 20 30 EEEDLO C#CCCCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1noc(-c2ccoc2)n1 ZINC001755234738 1407243656 /nfs/dbraw/zinc/24/36/56/1407243656.db2.gz TVODLFZBHQZSMA-QWHCGFSZSA-N 1 2 330.388 2.116 20 30 EEEDLO C=C(C)CCC(=O)N(C)CC[NH+]1CCN(Cc2nccs2)CC1 ZINC001753342141 1406050398 /nfs/dbraw/zinc/05/03/98/1406050398.db2.gz MOZUBSQKJGJYBM-UHFFFAOYSA-N 1 2 336.505 2.075 20 30 EEEDLO C=CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)C(F)C(F)(F)F)CC2 ZINC001755464980 1407499589 /nfs/dbraw/zinc/49/95/89/1407499589.db2.gz USNZWNOLTICBJJ-RYUDHWBXSA-N 1 2 338.345 2.060 20 30 EEEDLO C=CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H](F)C(F)(F)F)CC2 ZINC001755464980 1407499593 /nfs/dbraw/zinc/49/95/93/1407499593.db2.gz USNZWNOLTICBJJ-RYUDHWBXSA-N 1 2 338.345 2.060 20 30 EEEDLO Cc1nnc([C@@H](C)[N@@H+]2CC=C(CNC(=O)C#CC(C)(C)C)CC2)o1 ZINC001755886783 1407947593 /nfs/dbraw/zinc/94/75/93/1407947593.db2.gz SQBZVEZMXWOBFP-CYBMUJFWSA-N 1 2 330.432 2.237 20 30 EEEDLO Cc1nnc([C@@H](C)[N@H+]2CC=C(CNC(=O)C#CC(C)(C)C)CC2)o1 ZINC001755886783 1407947587 /nfs/dbraw/zinc/94/75/87/1407947587.db2.gz SQBZVEZMXWOBFP-CYBMUJFWSA-N 1 2 330.432 2.237 20 30 EEEDLO C=CC(C)(C)C(=O)NCC(C)(C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001755994033 1408064162 /nfs/dbraw/zinc/06/41/62/1408064162.db2.gz DTGQIUAFAGKOCZ-UHFFFAOYSA-N 1 2 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C=C(C)CCC(=O)N[C@@]12CCC[C@H]1N(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001756609378 1409134615 /nfs/dbraw/zinc/13/46/15/1409134615.db2.gz INBVCGREXOWKBK-DNVCBOLYSA-N 1 2 344.459 2.338 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001756868348 1409420998 /nfs/dbraw/zinc/42/09/98/1409420998.db2.gz QQIHKIGOBAPSHL-NVXWUHKLSA-N 1 2 346.475 2.394 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001756944599 1409536010 /nfs/dbraw/zinc/53/60/10/1409536010.db2.gz JECAQKDQWIIDTG-JKSUJKDBSA-N 1 2 346.475 2.086 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001757549585 1409756925 /nfs/dbraw/zinc/75/69/25/1409756925.db2.gz NNOVOEZFVANSMV-INIZCTEOSA-N 1 2 346.475 2.456 20 30 EEEDLO C[C@H](CC#N)N(C)c1nnc([C@H]2CCC[N@@H+]2C)n1C[C@@H]1CCCCO1 ZINC001772369898 1410154870 /nfs/dbraw/zinc/15/48/70/1410154870.db2.gz MPLKRPGCYCDVJR-OWCLPIDISA-N 1 2 346.479 2.352 20 30 EEEDLO C[C@H](CC#N)N(C)c1nnc([C@H]2CCC[N@H+]2C)n1C[C@@H]1CCCCO1 ZINC001772369898 1410154875 /nfs/dbraw/zinc/15/48/75/1410154875.db2.gz MPLKRPGCYCDVJR-OWCLPIDISA-N 1 2 346.479 2.352 20 30 EEEDLO C=CCOCC(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091317610 790276682 /nfs/dbraw/zinc/27/66/82/790276682.db2.gz QALREKPRMTWGKK-OTVXOJSOSA-N 1 2 330.432 2.172 20 30 EEEDLO Cc1nc(N2CCC[C@H]([C@H](C)NC(=O)c3c[nH]c(C#N)c3)C2)cc[nH+]1 ZINC001060352854 790312273 /nfs/dbraw/zinc/31/22/73/790312273.db2.gz ZDTOAHWKOMWNHZ-JSGCOSHPSA-N 1 2 338.415 2.020 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CCO1 ZINC001104331914 759507018 /nfs/dbraw/zinc/50/70/18/759507018.db2.gz PJNWOSNMJVLCNN-MRXNPFEDSA-N 1 2 332.448 2.080 20 30 EEEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782634139 761555381 /nfs/dbraw/zinc/55/53/81/761555381.db2.gz QQMOPLIQFVIGGH-CSYUUCHJSA-N 1 2 326.440 2.181 20 30 EEEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782634139 761555385 /nfs/dbraw/zinc/55/53/85/761555385.db2.gz 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N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cncs3)C2)c(F)c1 ZINC001031567182 769712520 /nfs/dbraw/zinc/71/25/20/769712520.db2.gz LJTYPNOAVMHUES-UHFFFAOYSA-N 1 2 330.388 2.016 20 30 EEEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)c3ccc(F)cn3)C2)ccc1F ZINC001031625920 770417148 /nfs/dbraw/zinc/41/71/48/770417148.db2.gz QDCFRVHWSURWEQ-UHFFFAOYSA-N 1 2 342.349 2.093 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2CC=C(Cl)Cl)c1 ZINC001027814658 770485568 /nfs/dbraw/zinc/48/55/68/770485568.db2.gz PITCZRJQYGVHGR-NSHDSACASA-N 1 2 327.215 2.400 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2CC=C(Cl)Cl)c1 ZINC001027814658 770485573 /nfs/dbraw/zinc/48/55/73/770485573.db2.gz PITCZRJQYGVHGR-NSHDSACASA-N 1 2 327.215 2.400 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCCOCC3)C2)cc1F ZINC001031640602 770546565 /nfs/dbraw/zinc/54/65/65/770546565.db2.gz DFMJABUFNKITIB-INIZCTEOSA-N 1 2 345.418 2.062 20 30 EEEDLO Cc1c[nH]c(C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC001032040340 782924287 /nfs/dbraw/zinc/92/42/87/782924287.db2.gz YGZOQTIMDZJDIN-UHFFFAOYSA-N 1 2 342.830 2.085 20 30 EEEDLO C=C(Cl)CN1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC001088173094 783034882 /nfs/dbraw/zinc/03/48/82/783034882.db2.gz RWRXJDJFSFYETN-CABCVRRESA-N 1 2 348.878 2.294 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212254410 773288430 /nfs/dbraw/zinc/28/84/30/773288430.db2.gz WBGVTQLKOYMHTE-IAGOWNOFSA-N 1 2 332.419 2.191 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212254410 773288433 /nfs/dbraw/zinc/28/84/33/773288433.db2.gz WBGVTQLKOYMHTE-IAGOWNOFSA-N 1 2 332.419 2.191 20 30 EEEDLO Cc1ccnc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)n1 ZINC001027849867 773509666 /nfs/dbraw/zinc/50/96/66/773509666.db2.gz FYJVGJBBXQFJGN-KRWDZBQOSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1ccnc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2C#N)n1 ZINC001027849867 773509668 /nfs/dbraw/zinc/50/96/68/773509668.db2.gz FYJVGJBBXQFJGN-KRWDZBQOSA-N 1 2 335.411 2.051 20 30 EEEDLO C[C@@H](CCCCNc1ccc(C#N)cn1)NC(=O)CCn1cc[nH+]c1 ZINC001090125632 783152976 /nfs/dbraw/zinc/15/29/76/783152976.db2.gz GYEGRJNXZTYFMQ-HNNXBMFYSA-N 1 2 340.431 2.327 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@H+]1[C@@H](C)c1nc(C)no1 ZINC001027937930 774679744 /nfs/dbraw/zinc/67/97/44/774679744.db2.gz XYAZCSSHPJLGGR-ZFWWWQNUSA-N 1 2 343.431 2.321 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)c1nc(C)no1 ZINC001027937930 774679745 /nfs/dbraw/zinc/67/97/45/774679745.db2.gz XYAZCSSHPJLGGR-ZFWWWQNUSA-N 1 2 343.431 2.321 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2oncc2C)C[C@@H]1C ZINC000947881462 774992215 /nfs/dbraw/zinc/99/22/15/774992215.db2.gz CFZJSAXCTLGPDY-NWDGAFQWSA-N 1 2 342.237 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2oncc2C)C[C@@H]1C ZINC000947881462 774992217 /nfs/dbraw/zinc/99/22/17/774992217.db2.gz CFZJSAXCTLGPDY-NWDGAFQWSA-N 1 2 342.237 2.474 20 30 EEEDLO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)no1 ZINC000980675803 775164474 /nfs/dbraw/zinc/16/44/74/775164474.db2.gz XWFBVGMDALCOLU-UHFFFAOYSA-N 1 2 330.413 2.264 20 30 EEEDLO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)no1 ZINC000980675803 775164477 /nfs/dbraw/zinc/16/44/77/775164477.db2.gz XWFBVGMDALCOLU-UHFFFAOYSA-N 1 2 330.413 2.264 20 30 EEEDLO CCc1cc(C(=O)N2CCC[N@H+](Cc3cccc(C#N)c3)CC2)n[nH]1 ZINC000980724187 775342500 /nfs/dbraw/zinc/34/25/00/775342500.db2.gz VXLNGHVTVKFPAG-UHFFFAOYSA-N 1 2 337.427 2.192 20 30 EEEDLO CCc1cc(C(=O)N2CCC[N@@H+](Cc3cccc(C#N)c3)CC2)n[nH]1 ZINC000980724187 775342505 /nfs/dbraw/zinc/34/25/05/775342505.db2.gz VXLNGHVTVKFPAG-UHFFFAOYSA-N 1 2 337.427 2.192 20 30 EEEDLO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)c(F)c3)CC2)[nH]n1 ZINC000980772995 775530974 /nfs/dbraw/zinc/53/09/74/775530974.db2.gz COBCDBZSEJNLLJ-UHFFFAOYSA-N 1 2 341.390 2.077 20 30 EEEDLO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)[nH]n1 ZINC000980772995 775530983 /nfs/dbraw/zinc/53/09/83/775530983.db2.gz COBCDBZSEJNLLJ-UHFFFAOYSA-N 1 2 341.390 2.077 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)Nc2cc(F)ccc2F)cc1 ZINC000060455338 790369432 /nfs/dbraw/zinc/36/94/32/790369432.db2.gz NDXHPTQUMNXKQA-UHFFFAOYSA-N 1 2 349.337 2.443 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccn2)C[C@H]1OC ZINC001212324729 775761916 /nfs/dbraw/zinc/76/19/16/775761916.db2.gz CQUASVUUOGBNPV-IAGOWNOFSA-N 1 2 347.459 2.008 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccn2)C[C@H]1OC ZINC001212324729 775761925 /nfs/dbraw/zinc/76/19/25/775761925.db2.gz CQUASVUUOGBNPV-IAGOWNOFSA-N 1 2 347.459 2.008 20 30 EEEDLO C=CCn1cccc1C(=O)NC1C[NH+](C[C@@H](OC)c2ccccc2)C1 ZINC001030448062 790408901 /nfs/dbraw/zinc/40/89/01/790408901.db2.gz ZVQRHGOSMGEJRD-LJQANCHMSA-N 1 2 339.439 2.476 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccns2)C[C@H]1OC ZINC001212337372 776138781 /nfs/dbraw/zinc/13/87/81/776138781.db2.gz KFFBUZJRCXIHHL-CHWSQXEVSA-N 1 2 343.880 2.237 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccns2)C[C@H]1OC ZINC001212337372 776138796 /nfs/dbraw/zinc/13/87/96/776138796.db2.gz KFFBUZJRCXIHHL-CHWSQXEVSA-N 1 2 343.880 2.237 20 30 EEEDLO CCc1nc(N2CC=C(CCNC(=O)[C@@H](C)C#N)CC2)cc(C)[nH+]1 ZINC001089814350 776268601 /nfs/dbraw/zinc/26/86/01/776268601.db2.gz AFGAWGPMYVZCNS-ZDUSSCGKSA-N 1 2 327.432 2.150 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cccn2nccc12 ZINC001031813746 776290556 /nfs/dbraw/zinc/29/05/56/776290556.db2.gz BYTIJFPBIIEJKH-UHFFFAOYSA-N 1 2 344.418 2.048 20 30 EEEDLO C[C@@](O)(CC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1)C1CC1 ZINC000981000066 776299761 /nfs/dbraw/zinc/29/97/61/776299761.db2.gz SSDDPLWCRAZUQV-HXUWFJFHSA-N 1 2 341.455 2.144 20 30 EEEDLO C[C@@](O)(CC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1)C1CC1 ZINC000981000066 776299765 /nfs/dbraw/zinc/29/97/65/776299765.db2.gz SSDDPLWCRAZUQV-HXUWFJFHSA-N 1 2 341.455 2.144 20 30 EEEDLO Cc1nnsc1C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001098982510 790484593 /nfs/dbraw/zinc/48/45/93/790484593.db2.gz LDSIWKXWDWAODK-AAEUAGOBSA-N 1 2 335.477 2.113 20 30 EEEDLO Cc1nnsc1C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001098982510 790484600 /nfs/dbraw/zinc/48/46/00/790484600.db2.gz LDSIWKXWDWAODK-AAEUAGOBSA-N 1 2 335.477 2.113 20 30 EEEDLO COCc1ccc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)o1 ZINC001031830645 776862828 /nfs/dbraw/zinc/86/28/28/776862828.db2.gz HJCFJOQFRQHCMA-UHFFFAOYSA-N 1 2 338.407 2.139 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc2onc(C)c2c1 ZINC001028062866 776920857 /nfs/dbraw/zinc/92/08/57/776920857.db2.gz BYLXCVVGQPQGCY-CYBMUJFWSA-N 1 2 334.807 2.478 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2onc(C)c2c1 ZINC001028062866 776920860 /nfs/dbraw/zinc/92/08/60/776920860.db2.gz BYLXCVVGQPQGCY-CYBMUJFWSA-N 1 2 334.807 2.478 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccn(CC)n2)cc1 ZINC001028067208 776966806 /nfs/dbraw/zinc/96/68/06/776966806.db2.gz PVWRNUXQWNRNGP-LJQANCHMSA-N 1 2 336.439 2.279 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccn(CC)n2)cc1 ZINC001028067208 776966811 /nfs/dbraw/zinc/96/68/11/776966811.db2.gz PVWRNUXQWNRNGP-LJQANCHMSA-N 1 2 336.439 2.279 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ncoc1[C@H]1CCCO1 ZINC001028073411 777016991 /nfs/dbraw/zinc/01/69/91/777016991.db2.gz UDKSSYFOBCZBRD-CHWSQXEVSA-N 1 2 339.823 2.473 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ncoc1[C@H]1CCCO1 ZINC001028073411 777016993 /nfs/dbraw/zinc/01/69/93/777016993.db2.gz UDKSSYFOBCZBRD-CHWSQXEVSA-N 1 2 339.823 2.473 20 30 EEEDLO Cc1nocc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001028113280 777928199 /nfs/dbraw/zinc/92/81/99/777928199.db2.gz KFGAZWJHUGCDGB-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nocc1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001028113280 777928208 /nfs/dbraw/zinc/92/82/08/777928208.db2.gz KFGAZWJHUGCDGB-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000981754911 778141269 /nfs/dbraw/zinc/14/12/69/778141269.db2.gz SHHGLCUZDBZFTA-SJORKVTESA-N 1 2 349.519 2.428 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](CC(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000981754911 778141272 /nfs/dbraw/zinc/14/12/72/778141272.db2.gz SHHGLCUZDBZFTA-SJORKVTESA-N 1 2 349.519 2.428 20 30 EEEDLO Cc1cnn(C)c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000981786148 778193059 /nfs/dbraw/zinc/19/30/59/778193059.db2.gz QHCVLXUWHFRVFB-UHFFFAOYSA-N 1 2 343.456 2.010 20 30 EEEDLO Cc1cnn(C)c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000981786148 778193063 /nfs/dbraw/zinc/19/30/63/778193063.db2.gz QHCVLXUWHFRVFB-UHFFFAOYSA-N 1 2 343.456 2.010 20 30 EEEDLO CCCc1cc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)[nH]n1 ZINC001031889431 778703433 /nfs/dbraw/zinc/70/34/33/778703433.db2.gz BCYNPZNLKFTIMZ-UHFFFAOYSA-N 1 2 336.439 2.076 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccon1 ZINC001028190422 778797536 /nfs/dbraw/zinc/79/75/36/778797536.db2.gz UPJBZRPLCXLHAF-ULQDDVLXSA-N 1 2 333.432 2.127 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccon1 ZINC001028190422 778797540 /nfs/dbraw/zinc/79/75/40/778797540.db2.gz UPJBZRPLCXLHAF-ULQDDVLXSA-N 1 2 333.432 2.127 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncc(C)o1 ZINC001028197842 778855285 /nfs/dbraw/zinc/85/52/85/778855285.db2.gz RVAXEUAZRJQRJS-ZOBUZTSGSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ncc(C)o1 ZINC001028197842 778855292 /nfs/dbraw/zinc/85/52/92/778855292.db2.gz RVAXEUAZRJQRJS-ZOBUZTSGSA-N 1 2 333.432 2.045 20 30 EEEDLO C[C@]12CN(C(=O)C#CC3CC3)C[C@@]1(C)C[N@H+](Cc1nccs1)C2 ZINC000982278391 779501253 /nfs/dbraw/zinc/50/12/53/779501253.db2.gz AMLAQWPVOSEEOM-HDICACEKSA-N 1 2 329.469 2.227 20 30 EEEDLO C[C@]12CN(C(=O)C#CC3CC3)C[C@@]1(C)C[N@@H+](Cc1nccs1)C2 ZINC000982278391 779501256 /nfs/dbraw/zinc/50/12/56/779501256.db2.gz AMLAQWPVOSEEOM-HDICACEKSA-N 1 2 329.469 2.227 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000946292508 790807397 /nfs/dbraw/zinc/80/73/97/790807397.db2.gz JXKPQQDQOPFNMJ-HOTGVXAUSA-N 1 2 344.459 2.100 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1Cc2cccc(F)c2O1 ZINC001028325425 780739267 /nfs/dbraw/zinc/73/92/67/780739267.db2.gz FLEWFNVFWSFKGV-UKRRQHHQSA-N 1 2 338.810 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1Cc2cccc(F)c2O1 ZINC001028325425 780739268 /nfs/dbraw/zinc/73/92/68/780739268.db2.gz FLEWFNVFWSFKGV-UKRRQHHQSA-N 1 2 338.810 2.462 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N(C)CCCN(C)c1cc[nH+]c(C)n1 ZINC001112147186 781328783 /nfs/dbraw/zinc/32/87/83/781328783.db2.gz INNSBWBJMDNLCT-SFHVURJKSA-N 1 2 334.464 2.299 20 30 EEEDLO CCc1c(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)ccn1C ZINC001031979723 781369741 /nfs/dbraw/zinc/36/97/41/781369741.db2.gz LVNPCEGZFIPNLR-UHFFFAOYSA-N 1 2 336.439 2.321 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)O1 ZINC001031986811 781543962 /nfs/dbraw/zinc/54/39/62/781543962.db2.gz FRAUKIJYCZVTFH-RDTXWAMCSA-N 1 2 346.858 2.307 20 30 EEEDLO CCN(CCNc1ncccc1C#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001106965242 781634934 /nfs/dbraw/zinc/63/49/34/781634934.db2.gz XHNRRLCUOLVSQA-AWEZNQCLSA-N 1 2 326.404 2.061 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccsn2)[C@@H](C)C1 ZINC000942171782 781885776 /nfs/dbraw/zinc/88/57/76/781885776.db2.gz DVJDZAUVXKLLHD-ONGXEEELSA-N 1 2 344.278 2.492 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccsn2)[C@@H](C)C1 ZINC000942171782 781885784 /nfs/dbraw/zinc/88/57/84/781885784.db2.gz DVJDZAUVXKLLHD-ONGXEEELSA-N 1 2 344.278 2.492 20 30 EEEDLO CC(C)c1nc(C[NH2+][C@@H]2CCCCCN(C(=O)C#CC3CC3)C2)no1 ZINC001088312272 783469807 /nfs/dbraw/zinc/46/98/07/783469807.db2.gz SKMJTGNHFMOQAQ-MRXNPFEDSA-N 1 2 344.459 2.467 20 30 EEEDLO CCCc1nc(C[NH2+][C@H]2CCCCCN(C(=O)C#CC3CC3)C2)no1 ZINC001088312155 783471973 /nfs/dbraw/zinc/47/19/73/783471973.db2.gz PPVWWIKBMMLLKJ-INIZCTEOSA-N 1 2 344.459 2.296 20 30 EEEDLO Cc1n[nH]cc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033308106 783488891 /nfs/dbraw/zinc/48/88/91/783488891.db2.gz HOYZUKNRJGJYBT-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1n[nH]cc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033308106 783488898 /nfs/dbraw/zinc/48/88/98/783488898.db2.gz HOYZUKNRJGJYBT-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091498926 790986384 /nfs/dbraw/zinc/98/63/84/790986384.db2.gz FUCZHOARZGCWGD-MGPQQGTHSA-N 1 2 342.447 2.272 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001035378632 784455680 /nfs/dbraw/zinc/45/56/80/784455680.db2.gz YWIXLGQVBZFIMO-QGZVFWFLSA-N 1 2 332.444 2.319 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001035378632 784455683 /nfs/dbraw/zinc/45/56/83/784455683.db2.gz YWIXLGQVBZFIMO-QGZVFWFLSA-N 1 2 332.444 2.319 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C3CC3)oc2C2CC2)C1 ZINC001035450123 784549115 /nfs/dbraw/zinc/54/91/15/784549115.db2.gz POSJWQJZQNOKKV-MRXNPFEDSA-N 1 2 342.439 2.488 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc(C3CC3)oc2C2CC2)C1 ZINC001035450123 784549116 /nfs/dbraw/zinc/54/91/16/784549116.db2.gz POSJWQJZQNOKKV-MRXNPFEDSA-N 1 2 342.439 2.488 20 30 EEEDLO CC(C)=CC(=O)NC[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC001149116775 791051482 /nfs/dbraw/zinc/05/14/82/791051482.db2.gz OZPGZPRSSYCAEB-KRWDZBQOSA-N 1 2 345.418 2.371 20 30 EEEDLO CC(C)=CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC001149116775 791051493 /nfs/dbraw/zinc/05/14/93/791051493.db2.gz OZPGZPRSSYCAEB-KRWDZBQOSA-N 1 2 345.418 2.371 20 30 EEEDLO CN(C)c1nc(C=[NH+]N2CCN(C)CC2)c(Cl)n1-c1ccccc1 ZINC000818196089 785219147 /nfs/dbraw/zinc/21/91/47/785219147.db2.gz JDUFZNGWUSVJEL-UHFFFAOYSA-N 1 2 346.866 2.173 20 30 EEEDLO Cc1cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc1OC1CCOCC1 ZINC000819448232 785549509 /nfs/dbraw/zinc/54/95/09/785549509.db2.gz UPDSFKFMYSTFSB-KRWDZBQOSA-N 1 2 347.459 2.171 20 30 EEEDLO Cc1cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc1OC1CCOCC1 ZINC000819448232 785549510 /nfs/dbraw/zinc/54/95/10/785549510.db2.gz UPDSFKFMYSTFSB-KRWDZBQOSA-N 1 2 347.459 2.171 20 30 EEEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000908669521 785622131 /nfs/dbraw/zinc/62/21/31/785622131.db2.gz RKEOZVUIEQRHIF-HZPDHXFCSA-N 1 2 330.432 2.316 20 30 EEEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000908669521 785622136 /nfs/dbraw/zinc/62/21/36/785622136.db2.gz RKEOZVUIEQRHIF-HZPDHXFCSA-N 1 2 330.432 2.316 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001078995340 785759348 /nfs/dbraw/zinc/75/93/48/785759348.db2.gz OCUSPBKFWSBGTO-INIZCTEOSA-N 1 2 346.475 2.325 20 30 EEEDLO C=CC(C)(C)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001063489246 791143502 /nfs/dbraw/zinc/14/35/02/791143502.db2.gz CUOBPPCKXHVIHS-ZIAGYGMSSA-N 1 2 344.459 2.271 20 30 EEEDLO C=CC(C)(C)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001063489246 791143513 /nfs/dbraw/zinc/14/35/13/791143513.db2.gz CUOBPPCKXHVIHS-ZIAGYGMSSA-N 1 2 344.459 2.271 20 30 EEEDLO C#CCCCC(=O)N1CCC(OC2C[NH+](CCOC3CCC3)C2)CC1 ZINC001105706486 785844086 /nfs/dbraw/zinc/84/40/86/785844086.db2.gz WORBVVKMKUKETH-UHFFFAOYSA-N 1 2 348.487 2.051 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC/C=C\CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107236780 786586273 /nfs/dbraw/zinc/58/62/73/786586273.db2.gz XRASAYHOHXHGDQ-WBTMPAOCSA-N 1 2 344.459 2.339 20 30 EEEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C(C)(C)CC(C)(C)C)nn2)C1 ZINC001107238371 786590172 /nfs/dbraw/zinc/59/01/72/786590172.db2.gz TZHWEBYMUDJJRY-UHFFFAOYSA-N 1 2 345.491 2.237 20 30 EEEDLO Cn1c[nH+]cc1CCC(=O)NC/C=C\CNc1cccc(F)c1C#N ZINC001107297856 786757933 /nfs/dbraw/zinc/75/79/33/786757933.db2.gz OKVKBYIYMKGSMF-IHWYPQMZSA-N 1 2 341.390 2.148 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C(C)C ZINC001109601758 805733586 /nfs/dbraw/zinc/73/35/86/805733586.db2.gz NYCXNMOQYDHOGM-WCVJEAGWSA-N 1 2 335.492 2.081 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C(C)C ZINC001109601758 805733595 /nfs/dbraw/zinc/73/35/95/805733595.db2.gz NYCXNMOQYDHOGM-WCVJEAGWSA-N 1 2 335.492 2.081 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC/C=C/CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107463155 787313360 /nfs/dbraw/zinc/31/33/60/787313360.db2.gz DSAMTOJHAYYLPW-LFAOLKIESA-N 1 2 343.475 2.151 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC/C=C/CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107463155 787313368 /nfs/dbraw/zinc/31/33/68/787313368.db2.gz DSAMTOJHAYYLPW-LFAOLKIESA-N 1 2 343.475 2.151 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001062173804 787539395 /nfs/dbraw/zinc/53/93/95/787539395.db2.gz UAWVCZIDTVBVPJ-OAHLLOKOSA-N 1 2 344.459 2.196 20 30 EEEDLO Cc1nc(NCc2ccc(CNC(=O)[C@H](C)C#N)c(F)c2)cc[nH+]1 ZINC001127795761 787632786 /nfs/dbraw/zinc/63/27/86/787632786.db2.gz BFJRXGVGTLKWFR-LLVKDONJSA-N 1 2 327.363 2.312 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001090682825 787695025 /nfs/dbraw/zinc/69/50/25/787695025.db2.gz DQFVBZSDCBLBPY-CXAGYDPISA-N 1 2 346.475 2.326 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001062255735 787726653 /nfs/dbraw/zinc/72/66/53/787726653.db2.gz HEGRDILEBLBGKE-MRXNPFEDSA-N 1 2 332.448 2.196 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001062255735 787726656 /nfs/dbraw/zinc/72/66/56/787726656.db2.gz HEGRDILEBLBGKE-MRXNPFEDSA-N 1 2 332.448 2.196 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001062292573 787802007 /nfs/dbraw/zinc/80/20/07/787802007.db2.gz HDXNIBIXLVFTRO-GOEBONIOSA-N 1 2 346.475 2.360 20 30 EEEDLO C=CCCC1(C(=O)NC[C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001062325250 787893992 /nfs/dbraw/zinc/89/39/92/787893992.db2.gz GAEVIHQKCCKMDT-OAHLLOKOSA-N 1 2 344.459 2.196 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001062325286 787894136 /nfs/dbraw/zinc/89/41/36/787894136.db2.gz HJVWZVIPRRIOMX-CQSZACIVSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C1CCC(C(=O)N2CCCC[C@@H]2CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001062338925 787927041 /nfs/dbraw/zinc/92/70/41/787927041.db2.gz GDYTWGNRHAAPBD-QGZVFWFLSA-N 1 2 344.459 2.196 20 30 EEEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)(C)C ZINC001109658247 805839923 /nfs/dbraw/zinc/83/99/23/805839923.db2.gz YPLDSPPWXUILNL-PMPSAXMXSA-N 1 2 335.492 2.227 20 30 EEEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)(C)C ZINC001109658247 805839926 /nfs/dbraw/zinc/83/99/26/805839926.db2.gz YPLDSPPWXUILNL-PMPSAXMXSA-N 1 2 335.492 2.227 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001079011633 788056094 /nfs/dbraw/zinc/05/60/94/788056094.db2.gz QWECWILYQAJJPU-MRXNPFEDSA-N 1 2 346.475 2.325 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N(C)CCCNc2ccc(C#N)nc2)c[nH+]1 ZINC001109660641 805850038 /nfs/dbraw/zinc/85/00/38/805850038.db2.gz YVWUTUNHSSHSKY-UHFFFAOYSA-N 1 2 340.431 2.154 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3cccc(OC)c3o2)C1 ZINC001108167810 788546520 /nfs/dbraw/zinc/54/65/20/788546520.db2.gz RGLWPMOHKTZSDT-LJQANCHMSA-N 1 2 344.411 2.448 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3cccc(OC)c3o2)C1 ZINC001108167810 788546530 /nfs/dbraw/zinc/54/65/30/788546530.db2.gz RGLWPMOHKTZSDT-LJQANCHMSA-N 1 2 344.411 2.448 20 30 EEEDLO COc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(F)cc2)cc1OC ZINC000029464379 788678626 /nfs/dbraw/zinc/67/86/26/788678626.db2.gz HKFFELFFRAMTFB-UHFFFAOYSA-N 1 2 347.346 2.119 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CCc2ccco2)C1 ZINC001149143497 788738387 /nfs/dbraw/zinc/73/83/87/788738387.db2.gz JBKJUAJVMGBMSS-OAHLLOKOSA-N 1 2 326.824 2.172 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CCc2ccco2)C1 ZINC001149143497 788738392 /nfs/dbraw/zinc/73/83/92/788738392.db2.gz JBKJUAJVMGBMSS-OAHLLOKOSA-N 1 2 326.824 2.172 20 30 EEEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC(N2CCOCC2=O)CC1 ZINC001143732209 788805231 /nfs/dbraw/zinc/80/52/31/788805231.db2.gz NSGOZQDIURMPNJ-UHFFFAOYSA-N 1 2 333.819 2.035 20 30 EEEDLO Cn1cc([C@@H]2CN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC[NH2+]2)cn1 ZINC000913459869 788891663 /nfs/dbraw/zinc/89/16/63/788891663.db2.gz BRJIIJRCBZKRNJ-KRWDZBQOSA-N 1 2 337.427 2.008 20 30 EEEDLO C=CCCC(=O)NCC1(NC(=O)c2cccc3[nH+]ccn32)CCC1 ZINC001062686131 788893315 /nfs/dbraw/zinc/89/33/15/788893315.db2.gz CPUVOLDOBHLIFE-UHFFFAOYSA-N 1 2 326.400 2.069 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1OC ZINC001090932919 789034085 /nfs/dbraw/zinc/03/40/85/789034085.db2.gz XLPBECKHPDIPDP-GVDBMIGSSA-N 1 2 346.475 2.324 20 30 EEEDLO C#CCCCC(=O)NC[C@]1(C)C[N@H+](Cc2ccc(OC)cc2)CCO1 ZINC001107901057 789189197 /nfs/dbraw/zinc/18/91/97/789189197.db2.gz IEESMMVENUPBDO-HXUWFJFHSA-N 1 2 344.455 2.206 20 30 EEEDLO C#CCCCC(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(OC)cc2)CCO1 ZINC001107901057 789189204 /nfs/dbraw/zinc/18/92/04/789189204.db2.gz IEESMMVENUPBDO-HXUWFJFHSA-N 1 2 344.455 2.206 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001060262874 789208375 /nfs/dbraw/zinc/20/83/75/789208375.db2.gz FXDIJGHNWUESNY-MRXNPFEDSA-N 1 2 346.475 2.064 20 30 EEEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(C)CC2)cc1C#N ZINC001032414927 789383376 /nfs/dbraw/zinc/38/33/76/789383376.db2.gz MVSQFJJXLKKVLY-HOTGVXAUSA-N 1 2 325.412 2.152 20 30 EEEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(C)CC2)cc1C#N ZINC001032414927 789383382 /nfs/dbraw/zinc/38/33/82/789383382.db2.gz MVSQFJJXLKKVLY-HOTGVXAUSA-N 1 2 325.412 2.152 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc3ncccc3c2)C1 ZINC001108181661 789604408 /nfs/dbraw/zinc/60/44/08/789604408.db2.gz ZGFHDMMKYUPLLJ-HXUWFJFHSA-N 1 2 337.423 2.079 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc3ncccc3c2)C1 ZINC001108181661 789604417 /nfs/dbraw/zinc/60/44/17/789604417.db2.gz ZGFHDMMKYUPLLJ-HXUWFJFHSA-N 1 2 337.423 2.079 20 30 EEEDLO Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)c(C)nn1 ZINC001032422418 789673874 /nfs/dbraw/zinc/67/38/74/789673874.db2.gz BEUYAYQLAARMNF-ROUUACIJSA-N 1 2 347.422 2.064 20 30 EEEDLO Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)c(C)nn1 ZINC001032422418 789673879 /nfs/dbraw/zinc/67/38/79/789673879.db2.gz BEUYAYQLAARMNF-ROUUACIJSA-N 1 2 347.422 2.064 20 30 EEEDLO COC(=O)c1cccc(COC(=O)C[C@@H](C)n2cc[nH+]c2)c1C#N ZINC000845280736 789708828 /nfs/dbraw/zinc/70/88/28/789708828.db2.gz DIBCRWNVTJPRHY-GFCCVEGCSA-N 1 2 327.340 2.236 20 30 EEEDLO Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CSCC#N)C2)oc1C ZINC001111600334 789923327 /nfs/dbraw/zinc/92/33/27/789923327.db2.gz SRZJBKDJVBBTKE-YOEHRIQHSA-N 1 2 348.472 2.019 20 30 EEEDLO Cc1nc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CSCC#N)C2)oc1C ZINC001111600334 789923331 /nfs/dbraw/zinc/92/33/31/789923331.db2.gz SRZJBKDJVBBTKE-YOEHRIQHSA-N 1 2 348.472 2.019 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](CC)CC(C)C)C2)nn1 ZINC001098766702 791654589 /nfs/dbraw/zinc/65/45/89/791654589.db2.gz FSILFBNMDYOVGF-FUHWJXTLSA-N 1 2 345.491 2.237 20 30 EEEDLO C=CCC(CC=C)C(=O)NC1(CNC(=O)CCn2cc[nH+]c2)CCC1 ZINC001063786655 791728848 /nfs/dbraw/zinc/72/88/48/791728848.db2.gz GUDDNXAPJAPPMJ-UHFFFAOYSA-N 1 2 344.459 2.197 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)CCC(C)(C)C)C2)nn1 ZINC001098768436 791774426 /nfs/dbraw/zinc/77/44/26/791774426.db2.gz TWHNZEMNKNANSE-WBVHZDCISA-N 1 2 345.491 2.237 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)oc3C)[C@@H]2C)nc1 ZINC001088990961 791834876 /nfs/dbraw/zinc/83/48/76/791834876.db2.gz ZKTWSHWYMXEILS-WBMJQRKESA-N 1 2 338.411 2.061 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)oc3C)[C@@H]2C)nc1 ZINC001088990961 791834880 /nfs/dbraw/zinc/83/48/80/791834880.db2.gz ZKTWSHWYMXEILS-WBMJQRKESA-N 1 2 338.411 2.061 20 30 EEEDLO C#CCC1(C(=O)N2CC3(C2)CC[N@@H+]([C@@H](C)c2nnc(C)o2)C3)CCC1 ZINC001147711269 791921071 /nfs/dbraw/zinc/92/10/71/791921071.db2.gz LUNKZQQDCNYBFX-AWEZNQCLSA-N 1 2 342.443 2.167 20 30 EEEDLO C#CCC1(C(=O)N2CC3(C2)CC[N@H+]([C@@H](C)c2nnc(C)o2)C3)CCC1 ZINC001147711269 791921075 /nfs/dbraw/zinc/92/10/75/791921075.db2.gz LUNKZQQDCNYBFX-AWEZNQCLSA-N 1 2 342.443 2.167 20 30 EEEDLO C=CC(C)(C)C(=O)NCC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001063924271 791954305 /nfs/dbraw/zinc/95/43/05/791954305.db2.gz KLOKAKHMWIFOGX-CQSZACIVSA-N 1 2 332.448 2.202 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2nc(C)c(Cl)c2C)[C@H]1C ZINC001089043580 791963531 /nfs/dbraw/zinc/96/35/31/791963531.db2.gz KTIZLIYKZAFEKF-YPMHNXCESA-N 1 2 345.274 2.485 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)c(Cl)c2C)[C@H]1C ZINC001089043580 791963533 /nfs/dbraw/zinc/96/35/33/791963533.db2.gz KTIZLIYKZAFEKF-YPMHNXCESA-N 1 2 345.274 2.485 20 30 EEEDLO C=CCOCC(=O)N1CCC[C@H](C)[C@H]1CCNc1cc[nH+]c(C)n1 ZINC001091658554 791969289 /nfs/dbraw/zinc/96/92/89/791969289.db2.gz RFHIKFKPJOTOLU-GOEBONIOSA-N 1 2 332.448 2.417 20 30 EEEDLO Cc1nc(NC[C@@H]2[C@@H](C)CCCN2C(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001063931444 791982492 /nfs/dbraw/zinc/98/24/92/791982492.db2.gz HNHCDWOCALXJIR-BLLLJJGKSA-N 1 2 338.415 2.338 20 30 EEEDLO CCN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@H]1CCCN(CC#N)CC1 ZINC000998114241 791994685 /nfs/dbraw/zinc/99/46/85/791994685.db2.gz FDQPEEISEUVHFX-GJZGRUSLSA-N 1 2 329.448 2.056 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C)o1)C2 ZINC001147992846 792113880 /nfs/dbraw/zinc/11/38/80/792113880.db2.gz OTRUOFDCZVSSLV-GOSISDBHSA-N 1 2 347.459 2.246 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C)o1)C2 ZINC001147992846 792113888 /nfs/dbraw/zinc/11/38/88/792113888.db2.gz OTRUOFDCZVSSLV-GOSISDBHSA-N 1 2 347.459 2.246 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nc(CC)no1)C2 ZINC001148131514 792208198 /nfs/dbraw/zinc/20/81/98/792208198.db2.gz UNPXFZAHPOCTNU-AWEZNQCLSA-N 1 2 332.448 2.269 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nc(CC)no1)C2 ZINC001148131514 792208209 /nfs/dbraw/zinc/20/82/09/792208209.db2.gz UNPXFZAHPOCTNU-AWEZNQCLSA-N 1 2 332.448 2.269 20 30 EEEDLO C=CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nc(C3CC3)no1)C2 ZINC001148194366 792209910 /nfs/dbraw/zinc/20/99/10/792209910.db2.gz XEQFPBGINQPXGR-UHFFFAOYSA-N 1 2 330.432 2.338 20 30 EEEDLO C=CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nc(C3CC3)no1)C2 ZINC001148194366 792209919 /nfs/dbraw/zinc/20/99/19/792209919.db2.gz XEQFPBGINQPXGR-UHFFFAOYSA-N 1 2 330.432 2.338 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCC1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001064110220 792428565 /nfs/dbraw/zinc/42/85/65/792428565.db2.gz USBXUEDKZCYCFX-GJZGRUSLSA-N 1 2 346.475 2.346 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCC1(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001064110220 792428571 /nfs/dbraw/zinc/42/85/71/792428571.db2.gz USBXUEDKZCYCFX-GJZGRUSLSA-N 1 2 346.475 2.346 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC001098302117 792456582 /nfs/dbraw/zinc/45/65/82/792456582.db2.gz DKWGMQGMRDSJML-UONOGXRCSA-N 1 2 326.404 2.026 20 30 EEEDLO C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)CC[C@H]1C(F)(F)F ZINC000998296035 792498085 /nfs/dbraw/zinc/49/80/85/792498085.db2.gz PEZAMUYJEMJLLP-BXUZGUMPSA-N 1 2 342.365 2.456 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001064139406 792552060 /nfs/dbraw/zinc/55/20/60/792552060.db2.gz DUQLOFNTAPVYRO-MLGOLLRUSA-N 1 2 341.390 2.360 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCO[C@H](CNC(=O)CC3CC3)C2)c(F)c1 ZINC001149037556 792865394 /nfs/dbraw/zinc/86/53/94/792865394.db2.gz BAZFADVMHRHCOI-QGZVFWFLSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCO[C@H](CNC(=O)CC3CC3)C2)c(F)c1 ZINC001149037556 792865404 /nfs/dbraw/zinc/86/54/04/792865404.db2.gz BAZFADVMHRHCOI-QGZVFWFLSA-N 1 2 345.418 2.205 20 30 EEEDLO C=C1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@H+](Cc2ncnn2C)CC3)CC1 ZINC000992150958 792934932 /nfs/dbraw/zinc/93/49/32/792934932.db2.gz ITRCVGBJMLGHND-QFBILLFUSA-N 1 2 343.475 2.175 20 30 EEEDLO C=C1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](Cc2ncnn2C)CC3)CC1 ZINC000992150958 792934941 /nfs/dbraw/zinc/93/49/41/792934941.db2.gz ITRCVGBJMLGHND-QFBILLFUSA-N 1 2 343.475 2.175 20 30 EEEDLO Cc1nc(N2CC[C@@H](C3CCN(C(=O)[C@@H](C)C#N)CC3)C2)cc[nH+]1 ZINC001064422542 793061835 /nfs/dbraw/zinc/06/18/35/793061835.db2.gz OUWFNPMNBWWYDS-XJKSGUPXSA-N 1 2 327.432 2.010 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CCN(c3cc[nH+]c(C)n3)C[C@H]2C1 ZINC001091851624 793323762 /nfs/dbraw/zinc/32/37/62/793323762.db2.gz RUTKJWPYBFYPJI-UAGQMJEPSA-N 1 2 344.459 2.051 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CC)C[C@@]2(C)C1 ZINC001091910958 793397269 /nfs/dbraw/zinc/39/72/69/793397269.db2.gz LDVGTYULTBYGML-BEFAXECRSA-N 1 2 345.491 2.181 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CC)C[C@@]2(C)C1 ZINC001091910958 793397278 /nfs/dbraw/zinc/39/72/78/793397278.db2.gz LDVGTYULTBYGML-BEFAXECRSA-N 1 2 345.491 2.181 20 30 EEEDLO Cc1cc(N2CC[C@H](NC(=O)C#CC(C)C)[C@H]2C)nc(C2CC2)[nH+]1 ZINC001091961235 793431878 /nfs/dbraw/zinc/43/18/78/793431878.db2.gz IWMAYLCHBZPMND-ZBFHGGJFSA-N 1 2 326.444 2.405 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001091955699 793460928 /nfs/dbraw/zinc/46/09/28/793460928.db2.gz GCQDKPZBCDEAGW-FRIZHTMISA-N 1 2 344.459 2.073 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001109936940 806245825 /nfs/dbraw/zinc/24/58/25/806245825.db2.gz LIHOBQIBGKSNEC-YJBOKZPZSA-N 1 2 332.448 2.321 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1O ZINC001092172816 793636609 /nfs/dbraw/zinc/63/66/09/793636609.db2.gz HZVFKNIDNXAYDR-CVEARBPZSA-N 1 2 346.475 2.321 20 30 EEEDLO C[C@@H]1C[C@H](Nc2ccc(C#N)nc2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001064834227 793829051 /nfs/dbraw/zinc/82/90/51/793829051.db2.gz BJUJLWQRJKUDGH-ZIAGYGMSSA-N 1 2 338.415 2.101 20 30 EEEDLO C[C@@H]1C[C@H](Nc2ccc(C#N)nc2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001064834227 793829056 /nfs/dbraw/zinc/82/90/56/793829056.db2.gz BJUJLWQRJKUDGH-ZIAGYGMSSA-N 1 2 338.415 2.101 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccccc1C)c1nccn12 ZINC001092341815 793865415 /nfs/dbraw/zinc/86/54/15/793865415.db2.gz CXACLJIVMKGJAW-KRWDZBQOSA-N 1 2 334.423 2.101 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001106129116 793877360 /nfs/dbraw/zinc/87/73/60/793877360.db2.gz CDKRZHXMUXFGTP-CQSZACIVSA-N 1 2 346.475 2.155 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@]1(C)CC=CCC1)c1nccn12 ZINC001092369451 793913694 /nfs/dbraw/zinc/91/36/94/793913694.db2.gz BAMHOPUPTBSEHC-LPHOPBHVSA-N 1 2 338.455 2.225 20 30 EEEDLO C#Cc1cncc(C(=O)NC2C[NH+](Cc3cccc4cccnc43)C2)c1 ZINC001030927827 793958840 /nfs/dbraw/zinc/95/88/40/793958840.db2.gz ASHXYMGFBFTOOM-UHFFFAOYSA-N 1 2 342.402 2.225 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001065000179 794068164 /nfs/dbraw/zinc/06/81/64/794068164.db2.gz IWIUOBUNFOABAR-SCLBCKFNSA-N 1 2 342.447 2.369 20 30 EEEDLO Cc1nc(N2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)cc[nH+]1 ZINC001093084656 794594811 /nfs/dbraw/zinc/59/48/11/794594811.db2.gz RXNJLZAMBSRAKS-KXBFYZLASA-N 1 2 326.444 2.310 20 30 EEEDLO C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)Nc1ncc(C#N)cc1Cl ZINC001098303503 794607021 /nfs/dbraw/zinc/60/70/21/794607021.db2.gz UPSQMCJUVSCTFW-VXGBXAGGSA-N 1 2 346.822 2.371 20 30 EEEDLO C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2(CNc2cc[nH+]c(C)n2)C1 ZINC001093124476 794656764 /nfs/dbraw/zinc/65/67/64/794656764.db2.gz DDMKALDYUPDFKV-LPHOPBHVSA-N 1 2 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C=CC[NH+]1CC(OC2CCN(C(=O)c3ncoc3C3CC3)CC2)C1 ZINC001093589991 795403197 /nfs/dbraw/zinc/40/31/97/795403197.db2.gz BCBZPHMLABEJQH-UHFFFAOYSA-N 1 2 331.416 2.043 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)CCNc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001106553030 795815959 /nfs/dbraw/zinc/81/59/59/795815959.db2.gz JPQPRBVCARXBFA-ZDUSSCGKSA-N 1 2 346.479 2.299 20 30 EEEDLO Cc1nsc(NCC[C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)c1C#N ZINC001106593793 795907051 /nfs/dbraw/zinc/90/70/51/795907051.db2.gz USKKOVPDDLXXEL-NEPJUHHUSA-N 1 2 346.460 2.478 20 30 EEEDLO CC#CCCCC(=O)NCCNc1[nH+]c(C)nc(-n2cccn2)c1C ZINC001094065798 795908877 /nfs/dbraw/zinc/90/88/77/795908877.db2.gz WBFUTCGCGKPVAA-UHFFFAOYSA-N 1 2 340.431 2.001 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccon1)C2 ZINC001111634812 795931168 /nfs/dbraw/zinc/93/11/68/795931168.db2.gz KXAIUPQDLUYZGB-MPGHIAIKSA-N 1 2 333.432 2.127 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccon1)C2 ZINC001111634812 795931171 /nfs/dbraw/zinc/93/11/71/795931171.db2.gz KXAIUPQDLUYZGB-MPGHIAIKSA-N 1 2 333.432 2.127 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3CCCC4(CC4)C3)nn2)C1 ZINC001094292032 796094392 /nfs/dbraw/zinc/09/43/92/796094392.db2.gz YKSORMYLRHYHIR-HNNXBMFYSA-N 1 2 343.475 2.298 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@@]3(C)C(C)C)nn2)C1 ZINC001094329784 796103812 /nfs/dbraw/zinc/10/38/12/796103812.db2.gz MFYLQPUDIHEYIY-WMZOPIPTSA-N 1 2 331.464 2.009 20 30 EEEDLO C=CCC1(C(=O)NCC[C@H](C)NC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001078226030 796130529 /nfs/dbraw/zinc/13/05/29/796130529.db2.gz JJJLPTXCMCKASF-INIZCTEOSA-N 1 2 346.475 2.421 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001078307586 796252214 /nfs/dbraw/zinc/25/22/14/796252214.db2.gz CVROUSNWAMEYFB-QWHCGFSZSA-N 1 2 332.448 2.053 20 30 EEEDLO C[C@H](C[C@H](C)Nc1ccc(C#N)nc1)NC(=O)CCCn1cc[nH+]c1 ZINC001089347842 796402504 /nfs/dbraw/zinc/40/25/04/796402504.db2.gz ZGGPLJGBJYKQIN-LSDHHAIUSA-N 1 2 340.431 2.325 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798124162 /nfs/dbraw/zinc/12/41/62/798124162.db2.gz YCENVGGXGXIECG-ZFWWWQNUSA-N 1 2 336.867 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc(N(C)C)ccn2)[C@@H]1C ZINC000994513191 798124164 /nfs/dbraw/zinc/12/41/64/798124164.db2.gz YCENVGGXGXIECG-ZFWWWQNUSA-N 1 2 336.867 2.483 20 30 EEEDLO CCn1ccnc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084310240 798139066 /nfs/dbraw/zinc/13/90/66/798139066.db2.gz OPQYYUSTGHVFBL-RTBURBONSA-N 1 2 348.450 2.101 20 30 EEEDLO CCn1ccnc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084310240 798139069 /nfs/dbraw/zinc/13/90/69/798139069.db2.gz OPQYYUSTGHVFBL-RTBURBONSA-N 1 2 348.450 2.101 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C(F)F)[C@@H]2C1 ZINC001084314535 798141644 /nfs/dbraw/zinc/14/16/44/798141644.db2.gz QZKCYWAXVLVDIW-LTIDMASMSA-N 1 2 345.393 2.492 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C(F)F)[C@@H]2C1 ZINC001084314535 798141645 /nfs/dbraw/zinc/14/16/45/798141645.db2.gz 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C=CCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCOCCC(C)C)[C@@H]2C1 ZINC001176955519 798656118 /nfs/dbraw/zinc/65/61/18/798656118.db2.gz UYZWRAAVZXQLGP-MSOLQXFVSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@H+](CCOCCC(C)C)[C@@H]2C1 ZINC001176955519 798656120 /nfs/dbraw/zinc/65/61/20/798656120.db2.gz UYZWRAAVZXQLGP-MSOLQXFVSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)c3oc(C)cc3C)C[C@H]21 ZINC001176969679 798663850 /nfs/dbraw/zinc/66/38/50/798663850.db2.gz NKGYRPURVCRONG-SJORKVTESA-N 1 2 348.443 2.014 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3oc(C)cc3C)C[C@H]21 ZINC001176969679 798663855 /nfs/dbraw/zinc/66/38/55/798663855.db2.gz NKGYRPURVCRONG-SJORKVTESA-N 1 2 348.443 2.014 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@@H+](CC(=C)C)[C@@H]3C2)CCOCC1 ZINC001177138491 798767704 /nfs/dbraw/zinc/76/77/04/798767704.db2.gz LWBMUAAIINMWIY-QZTJIDSGSA-N 1 2 348.487 2.237 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@H+](CC(=C)C)[C@@H]3C2)CCOCC1 ZINC001177138491 798767706 /nfs/dbraw/zinc/76/77/06/798767706.db2.gz LWBMUAAIINMWIY-QZTJIDSGSA-N 1 2 348.487 2.237 20 30 EEEDLO CCCCCCCCC(=O)N1CC[C@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001177140162 798768718 /nfs/dbraw/zinc/76/87/18/798768718.db2.gz WNASJKXHOOEXFR-ZWKOTPCHSA-N 1 2 340.508 2.421 20 30 EEEDLO CCCCCCCCC(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001177140162 798768723 /nfs/dbraw/zinc/76/87/23/798768723.db2.gz WNASJKXHOOEXFR-ZWKOTPCHSA-N 1 2 340.508 2.421 20 30 EEEDLO C=CCOCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1ncc(C)o1 ZINC001098972270 798775847 /nfs/dbraw/zinc/77/58/47/798775847.db2.gz YRJNFYJBPPKCAN-HNNXBMFYSA-N 1 2 335.448 2.292 20 30 EEEDLO C=CCOCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1ncc(C)o1 ZINC001098972270 798775850 /nfs/dbraw/zinc/77/58/50/798775850.db2.gz YRJNFYJBPPKCAN-HNNXBMFYSA-N 1 2 335.448 2.292 20 30 EEEDLO C[C@@]1(CNc2cccc(F)c2C#N)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001065446508 799076425 /nfs/dbraw/zinc/07/64/25/799076425.db2.gz HHEYRFZJJMGPJS-SFHVURJKSA-N 1 2 341.390 2.314 20 30 EEEDLO N#C[C@H](Cc1cccs1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001177917796 799179153 /nfs/dbraw/zinc/17/91/53/799179153.db2.gz MJLWAWJSGTWVGA-UONOGXRCSA-N 1 2 326.425 2.220 20 30 EEEDLO Cc1nc(NC[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)ccc1C#N ZINC001108196621 799247834 /nfs/dbraw/zinc/24/78/34/799247834.db2.gz NVIMJXLGOKBNEJ-LLVKDONJSA-N 1 2 334.383 2.368 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)CC)C2)CC1 ZINC001065689029 799361884 /nfs/dbraw/zinc/36/18/84/799361884.db2.gz TWDBFAKMMLWDDK-IRXDYDNUSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CCC(=C)C)CC2)C1 ZINC001065693399 799370670 /nfs/dbraw/zinc/37/06/70/799370670.db2.gz CFSUDBVBINRMHG-QGZVFWFLSA-N 1 2 333.476 2.054 20 30 EEEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1noc(-c2ccc(OC)cc2)n1 ZINC001128418229 799377233 /nfs/dbraw/zinc/37/72/33/799377233.db2.gz KCXWNNSLWWEESA-UHFFFAOYSA-N 1 2 344.415 2.307 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)C[C@H](C)CC)CC2)C1 ZINC001065709728 799404635 /nfs/dbraw/zinc/40/46/35/799404635.db2.gz ZMJRJGJQYCFEDG-SJORKVTESA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C(C)(C)CC)C2)CC1 ZINC001065711036 799407568 /nfs/dbraw/zinc/40/75/68/799407568.db2.gz IBXQJMPPRBSNET-MRXNPFEDSA-N 1 2 335.492 2.134 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)/C=C/C3CC3)CC2)C1 ZINC001065711929 799409629 /nfs/dbraw/zinc/40/96/29/799409629.db2.gz RKWVFQMPVXRZPP-BLGFXRMMSA-N 1 2 345.487 2.054 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)CCC)CC3)C2)CCC1 ZINC001065712834 799412279 /nfs/dbraw/zinc/41/22/79/799412279.db2.gz GFRTUWBPVREBNF-QGZVFWFLSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001065713487 799414762 /nfs/dbraw/zinc/41/47/62/799414762.db2.gz UPZUTQLRBZHEJY-INIZCTEOSA-N 1 2 335.492 2.134 20 30 EEEDLO C[C@H]1[C@@H]([NH2+]Cc2nc(C3CC3)no2)CCN1C(=O)C#CC(C)(C)C ZINC001178672076 799571250 /nfs/dbraw/zinc/57/12/50/799571250.db2.gz YOGNWIGPHOEHJE-JSGCOSHPSA-N 1 2 330.432 2.076 20 30 EEEDLO C=CCCC1(C(=O)NCc2cnn3c2C[N@H+](CCCF)CC3)CC1 ZINC001128475889 799930335 /nfs/dbraw/zinc/93/03/35/799930335.db2.gz JVXHNKOPJJDBMA-UHFFFAOYSA-N 1 2 334.439 2.421 20 30 EEEDLO C=CCCC1(C(=O)NCc2cnn3c2C[N@@H+](CCCF)CC3)CC1 ZINC001128475889 799930339 /nfs/dbraw/zinc/93/03/39/799930339.db2.gz JVXHNKOPJJDBMA-UHFFFAOYSA-N 1 2 334.439 2.421 20 30 EEEDLO C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001179586226 799994299 /nfs/dbraw/zinc/99/42/99/799994299.db2.gz RTPNWNUOLGLPAH-KBPBESRZSA-N 1 2 346.431 2.032 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001066112846 800022582 /nfs/dbraw/zinc/02/25/82/800022582.db2.gz HQWXMWGRHJVYKT-BEFAXECRSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001066113941 800023719 /nfs/dbraw/zinc/02/37/19/800023719.db2.gz WRKCFUSDQQUJDM-HNNXBMFYSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)Cc2ccccc2OC(F)(F)F)CC1 ZINC001179915663 800186747 /nfs/dbraw/zinc/18/67/47/800186747.db2.gz VGRCBPMEODVEMR-UHFFFAOYSA-N 1 2 328.334 2.458 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)on1 ZINC001032900185 800294412 /nfs/dbraw/zinc/29/44/12/800294412.db2.gz PZTOURAXGIQUAW-GFCCVEGCSA-N 1 2 330.413 2.263 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)on1 ZINC001032900185 800294419 /nfs/dbraw/zinc/29/44/19/800294419.db2.gz PZTOURAXGIQUAW-GFCCVEGCSA-N 1 2 330.413 2.263 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)c2nocc2C)CC1 ZINC001006253465 800485832 /nfs/dbraw/zinc/48/58/32/800485832.db2.gz APBSGNVZCMXQFN-UHFFFAOYSA-N 1 2 342.237 2.428 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@H]1CCCOC1 ZINC001085514400 800680102 /nfs/dbraw/zinc/68/01/02/800680102.db2.gz JXUXUOWCUUDCGV-RDJZCZTQSA-N 1 2 345.418 2.157 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@H]1CCCOC1 ZINC001085514400 800680104 /nfs/dbraw/zinc/68/01/04/800680104.db2.gz JXUXUOWCUUDCGV-RDJZCZTQSA-N 1 2 345.418 2.157 20 30 EEEDLO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)ncn1 ZINC001085543475 800730366 /nfs/dbraw/zinc/73/03/66/800730366.db2.gz YCGDUTLUCBIHJQ-ZDUSSCGKSA-N 1 2 341.440 2.065 20 30 EEEDLO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)ncn1 ZINC001085543475 800730368 /nfs/dbraw/zinc/73/03/68/800730368.db2.gz YCGDUTLUCBIHJQ-ZDUSSCGKSA-N 1 2 341.440 2.065 20 30 EEEDLO CN(C(=O)c1ccn(C)c1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033004346 800730712 /nfs/dbraw/zinc/73/07/12/800730712.db2.gz KLQTWMOGXPFNTM-SFHVURJKSA-N 1 2 340.402 2.382 20 30 EEEDLO CN(C(=O)c1ccn(C)c1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033004346 800730715 /nfs/dbraw/zinc/73/07/15/800730715.db2.gz KLQTWMOGXPFNTM-SFHVURJKSA-N 1 2 340.402 2.382 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@H]1CCCOCC1 ZINC001085572444 800803323 /nfs/dbraw/zinc/80/33/23/800803323.db2.gz YJNQWNLDUAHNDS-PMACEKPBSA-N 1 2 340.467 2.388 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@H]1CCCOCC1 ZINC001085572444 800803333 /nfs/dbraw/zinc/80/33/33/800803333.db2.gz YJNQWNLDUAHNDS-PMACEKPBSA-N 1 2 340.467 2.388 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1csc([C@@H]2CCCO2)n1 ZINC001085594811 800851360 /nfs/dbraw/zinc/85/13/60/800851360.db2.gz PYCAZIIJFCTIPV-ZFWWWQNUSA-N 1 2 333.457 2.164 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1csc([C@@H]2CCCO2)n1 ZINC001085594811 800851365 /nfs/dbraw/zinc/85/13/65/800851365.db2.gz PYCAZIIJFCTIPV-ZFWWWQNUSA-N 1 2 333.457 2.164 20 30 EEEDLO C=CCOCCCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(C3CC3)no2)C1 ZINC001181832506 800924523 /nfs/dbraw/zinc/92/45/23/800924523.db2.gz IDJUNDLNGASZPD-DZGCQCFKSA-N 1 2 348.447 2.181 20 30 EEEDLO C=C(Cl)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001085681647 801035820 /nfs/dbraw/zinc/03/58/20/801035820.db2.gz CJWHIKDWJNMZCV-KBPBESRZSA-N 1 2 336.867 2.108 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2cc(OC)ccn2)cc1 ZINC001085757006 801197922 /nfs/dbraw/zinc/19/79/22/801197922.db2.gz WPYIGIRFLKCLKK-IBGZPJMESA-N 1 2 349.434 2.418 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2cc(OC)ccn2)cc1 ZINC001085757006 801197924 /nfs/dbraw/zinc/19/79/24/801197924.db2.gz WPYIGIRFLKCLKK-IBGZPJMESA-N 1 2 349.434 2.418 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC001108067240 801379681 /nfs/dbraw/zinc/37/96/81/801379681.db2.gz VUKDRONBCCRSOI-FQEVSTJZSA-N 1 2 344.455 2.363 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc3c(c2)C(C)(C)CO3)C1 ZINC001108067240 801379689 /nfs/dbraw/zinc/37/96/89/801379689.db2.gz VUKDRONBCCRSOI-FQEVSTJZSA-N 1 2 344.455 2.363 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(C2CCCC2)n1 ZINC001085899999 801590357 /nfs/dbraw/zinc/59/03/57/801590357.db2.gz STSGFEZCSABJPL-INIZCTEOSA-N 1 2 326.444 2.304 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccnc(C2CCCC2)n1 ZINC001085899999 801590361 /nfs/dbraw/zinc/59/03/61/801590361.db2.gz STSGFEZCSABJPL-INIZCTEOSA-N 1 2 326.444 2.304 20 30 EEEDLO C[C@@H](CCCCNc1ccc(C#N)cn1)NC(=O)Cc1c[nH+]cn1C ZINC001090099896 801592591 /nfs/dbraw/zinc/59/25/91/801592591.db2.gz OJQFTUZAPRCSEP-AWEZNQCLSA-N 1 2 340.431 2.016 20 30 EEEDLO Cc1nc[nH]c1C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001004281752 801603817 /nfs/dbraw/zinc/60/38/17/801603817.db2.gz MAFCQXMNTAAHJB-UHFFFAOYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1nccc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)n1 ZINC001085978708 801828465 /nfs/dbraw/zinc/82/84/65/801828465.db2.gz ZONSYUXRCJKBCJ-CYBMUJFWSA-N 1 2 341.440 2.065 20 30 EEEDLO Cc1nccc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)n1 ZINC001085978708 801828469 /nfs/dbraw/zinc/82/84/69/801828469.db2.gz ZONSYUXRCJKBCJ-CYBMUJFWSA-N 1 2 341.440 2.065 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001066387534 802130992 /nfs/dbraw/zinc/13/09/92/802130992.db2.gz WOOPTHPOVMITOP-INIZCTEOSA-N 1 2 346.475 2.206 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cnc3cc[nH]c3c2)CC1 ZINC001004469818 802156142 /nfs/dbraw/zinc/15/61/42/802156142.db2.gz PWSHUBPLXXLASY-SFHVURJKSA-N 1 2 337.427 2.403 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cnc3cc[nH]c3c2)CC1 ZINC001004469818 802156146 /nfs/dbraw/zinc/15/61/46/802156146.db2.gz PWSHUBPLXXLASY-SFHVURJKSA-N 1 2 337.427 2.403 20 30 EEEDLO CC1(C)CO[C@H](CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004488279 802194347 /nfs/dbraw/zinc/19/43/47/802194347.db2.gz HKEMYRDQJJKDCQ-SJORKVTESA-N 1 2 333.476 2.418 20 30 EEEDLO CC1(C)CO[C@H](CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004488279 802194351 /nfs/dbraw/zinc/19/43/51/802194351.db2.gz HKEMYRDQJJKDCQ-SJORKVTESA-N 1 2 333.476 2.418 20 30 EEEDLO CC(C)(C)OC(=O)N(CCC#N)CC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001184849117 802197596 /nfs/dbraw/zinc/19/75/96/802197596.db2.gz XOYXFJLTDCIFGE-UHFFFAOYSA-N 1 2 344.415 2.081 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(-c3ccn(C)c3)[nH]n2)C1 ZINC001033133237 802250239 /nfs/dbraw/zinc/25/02/39/802250239.db2.gz CXIDEXMREUEZOM-HNNXBMFYSA-N 1 2 327.432 2.138 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(-c3ccn(C)c3)[nH]n2)C1 ZINC001033133237 802250244 /nfs/dbraw/zinc/25/02/44/802250244.db2.gz CXIDEXMREUEZOM-HNNXBMFYSA-N 1 2 327.432 2.138 20 30 EEEDLO C=CCCC1(C(=O)N2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001066442973 802498297 /nfs/dbraw/zinc/49/82/97/802498297.db2.gz JDTWTUFGJZFZFQ-OAHLLOKOSA-N 1 2 344.459 2.196 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001066503186 802803921 /nfs/dbraw/zinc/80/39/21/802803921.db2.gz DIDVGKXYOUZGSD-INIZCTEOSA-N 1 2 344.459 2.127 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C(C)(C)C(F)(F)F)c2C1 ZINC001128555342 803009203 /nfs/dbraw/zinc/00/92/03/803009203.db2.gz VNEOFPOYENWWMM-UHFFFAOYSA-N 1 2 344.381 2.480 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C(C)(C)C(F)(F)F)c2C1 ZINC001128555342 803009210 /nfs/dbraw/zinc/00/92/10/803009210.db2.gz VNEOFPOYENWWMM-UHFFFAOYSA-N 1 2 344.381 2.480 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2sc(CC3CC3)nc2C)C1 ZINC001108305926 803251019 /nfs/dbraw/zinc/25/10/19/803251019.db2.gz CTIKTBGDAXEXMV-SFHVURJKSA-N 1 2 349.500 2.411 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2sc(CC3CC3)nc2C)C1 ZINC001108305926 803251023 /nfs/dbraw/zinc/25/10/23/803251023.db2.gz CTIKTBGDAXEXMV-SFHVURJKSA-N 1 2 349.500 2.411 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2coc(C3CCCC3)n2)C1 ZINC001108313061 803285003 /nfs/dbraw/zinc/28/50/03/803285003.db2.gz XEIXASVLWSJCCS-GOSISDBHSA-N 1 2 333.432 2.339 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2coc(C3CCCC3)n2)C1 ZINC001108313061 803285005 /nfs/dbraw/zinc/28/50/05/803285005.db2.gz XEIXASVLWSJCCS-GOSISDBHSA-N 1 2 333.432 2.339 20 30 EEEDLO C=CCC1(C(=O)NCc2cnn3c2C[N@H+](CCC)CC3)CCOCC1 ZINC001128570894 803419267 /nfs/dbraw/zinc/41/92/67/803419267.db2.gz BRXQEUWUQMLMQM-UHFFFAOYSA-N 1 2 346.475 2.098 20 30 EEEDLO C=CCC1(C(=O)NCc2cnn3c2C[N@@H+](CCC)CC3)CCOCC1 ZINC001128570894 803419270 /nfs/dbraw/zinc/41/92/70/803419270.db2.gz BRXQEUWUQMLMQM-UHFFFAOYSA-N 1 2 346.475 2.098 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(OC)c(OC)cc2C)C1 ZINC001108412416 803514957 /nfs/dbraw/zinc/51/49/57/803514957.db2.gz KPSKZTHCNQOYIL-LJQANCHMSA-N 1 2 348.443 2.019 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(OC)c(OC)cc2C)C1 ZINC001108412416 803514958 /nfs/dbraw/zinc/51/49/58/803514958.db2.gz KPSKZTHCNQOYIL-LJQANCHMSA-N 1 2 348.443 2.019 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001108434656 803566618 /nfs/dbraw/zinc/56/66/18/803566618.db2.gz UUYIXEYAOFSTEV-JXFKEZNVSA-N 1 2 346.446 2.235 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)Cc2cccc(F)c2)C1 ZINC001108434656 803566620 /nfs/dbraw/zinc/56/66/20/803566620.db2.gz UUYIXEYAOFSTEV-JXFKEZNVSA-N 1 2 346.446 2.235 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(N(C)CC)cc2)C1 ZINC001108435970 803583966 /nfs/dbraw/zinc/58/39/66/803583966.db2.gz HDPWGUSMXXWPGL-LJQANCHMSA-N 1 2 331.460 2.149 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(N(C)CC)cc2)C1 ZINC001108435970 803583971 /nfs/dbraw/zinc/58/39/71/803583971.db2.gz HDPWGUSMXXWPGL-LJQANCHMSA-N 1 2 331.460 2.149 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H](CCC)CC(C)C)CC2=O)C1 ZINC001108591704 804262962 /nfs/dbraw/zinc/26/29/62/804262962.db2.gz CHOLKBXPTRBTRN-HZPDHXFCSA-N 1 2 335.492 2.036 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109080127 804921231 /nfs/dbraw/zinc/92/12/31/804921231.db2.gz MGFYHTPRJUCFQU-OFIKQIQMSA-N 1 2 326.375 2.079 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109080127 804921232 /nfs/dbraw/zinc/92/12/32/804921232.db2.gz MGFYHTPRJUCFQU-OFIKQIQMSA-N 1 2 326.375 2.079 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001109343406 805328874 /nfs/dbraw/zinc/32/88/74/805328874.db2.gz XHMYQRHDHBJIGU-SIXLDLHFSA-N 1 2 347.503 2.225 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001109343406 805328890 /nfs/dbraw/zinc/32/88/90/805328890.db2.gz XHMYQRHDHBJIGU-SIXLDLHFSA-N 1 2 347.503 2.225 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)C(C)(C)c2cc(C)ccn2)CC1 ZINC001113008510 807826405 /nfs/dbraw/zinc/82/64/05/807826405.db2.gz SBGTYHZUKOCLIE-UHFFFAOYSA-N 1 2 331.460 2.014 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001113164652 808319082 /nfs/dbraw/zinc/31/90/82/808319082.db2.gz VUVUSQGACVYNOL-SFHVURJKSA-N 1 2 326.481 2.032 20 30 EEEDLO C#CCCCCCC(=O)N1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC001113205050 808427812 /nfs/dbraw/zinc/42/78/12/808427812.db2.gz IXSFNNFMBPDCLZ-UHFFFAOYSA-N 1 2 340.427 2.451 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001086583578 808450840 /nfs/dbraw/zinc/45/08/40/808450840.db2.gz UICBJPIVBHSCBY-JKSUJKDBSA-N 1 2 344.846 2.370 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001086583578 808450847 /nfs/dbraw/zinc/45/08/47/808450847.db2.gz UICBJPIVBHSCBY-JKSUJKDBSA-N 1 2 344.846 2.370 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C(=O)NC)cc2)CC1 ZINC001113226585 808484547 /nfs/dbraw/zinc/48/45/47/808484547.db2.gz HNWNNCPFXXHHJX-HOTGVXAUSA-N 1 2 343.471 2.149 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](Cc2ccc3c(c2)nnn3C)CC1 ZINC001113241514 808526757 /nfs/dbraw/zinc/52/67/57/808526757.db2.gz IZYMJVCAUYRPMR-HNNXBMFYSA-N 1 2 341.459 2.215 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001113316290 808714140 /nfs/dbraw/zinc/71/41/40/808714140.db2.gz GIHSTFNEVSMCCR-VXGBXAGGSA-N 1 2 334.468 2.153 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H]2CCCc3sc(C)nc32)CC1 ZINC001113529565 809149837 /nfs/dbraw/zinc/14/98/37/809149837.db2.gz VVOBOGWHULPDMN-HNNXBMFYSA-N 1 2 349.500 2.218 20 30 EEEDLO CCCCCCCCCC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113578649 809263908 /nfs/dbraw/zinc/26/39/08/809263908.db2.gz MXPHQHJDGPGZCD-UHFFFAOYSA-N 1 2 328.497 2.280 20 30 EEEDLO CCCC[C@@H](CNc1ccc(C#N)cn1)NC(=O)Cc1[nH]c[nH+]c1C ZINC001114269540 810718629 /nfs/dbraw/zinc/71/86/29/810718629.db2.gz IGAHDZVZJRXRML-HNNXBMFYSA-N 1 2 340.431 2.314 20 30 EEEDLO N#Cc1ccc(N2CC[C@@H](C(=O)OCCCn3cc[nH+]c3)C2)c(F)c1 ZINC000805590786 811386347 /nfs/dbraw/zinc/38/63/47/811386347.db2.gz GYAWUONPPBMQJU-OAHLLOKOSA-N 1 2 342.374 2.354 20 30 EEEDLO CCCC[C@@H](CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001130920854 812202694 /nfs/dbraw/zinc/20/26/94/812202694.db2.gz KIRDAEXAABJNHT-BZUAXINKSA-N 1 2 331.464 2.044 20 30 EEEDLO Nc1ccc(C=[NH+]Nc2ccc(S(=O)(=O)C(F)F)cc2)cn1 ZINC000807967787 812391151 /nfs/dbraw/zinc/39/11/51/812391151.db2.gz CVFYYHNGKMRBFB-UHFFFAOYSA-N 1 2 326.328 2.106 20 30 EEEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C2(CC(C)C)CCCC2)CC1 ZINC001131388794 812774988 /nfs/dbraw/zinc/77/49/88/812774988.db2.gz YGZLBAGZWBDEFM-UHFFFAOYSA-N 1 2 349.519 2.429 20 30 EEEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C2(CC(C)C)CCCC2)CC1 ZINC001131388794 812774991 /nfs/dbraw/zinc/77/49/91/812774991.db2.gz YGZLBAGZWBDEFM-UHFFFAOYSA-N 1 2 349.519 2.429 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C#CC(C)(C)C)C[C@@H](C)O2 ZINC001131656826 813106820 /nfs/dbraw/zinc/10/68/20/813106820.db2.gz ADXJNRIXPCXJJF-QAPCUYQASA-N 1 2 338.879 2.480 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C#CC(C)(C)C)C[C@@H](C)O2 ZINC001131656826 813106825 /nfs/dbraw/zinc/10/68/25/813106825.db2.gz ADXJNRIXPCXJJF-QAPCUYQASA-N 1 2 338.879 2.480 20 30 EEEDLO C#CCCCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@H+](Cc3cscn3)C2)C1 ZINC001131658636 813109176 /nfs/dbraw/zinc/10/91/76/813109176.db2.gz VMOKWJCSVPXLHD-CRAIPNDOSA-N 1 2 347.484 2.138 20 30 EEEDLO C#CCCCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@@H+](Cc3cscn3)C2)C1 ZINC001131658636 813109179 /nfs/dbraw/zinc/10/91/79/813109179.db2.gz VMOKWJCSVPXLHD-CRAIPNDOSA-N 1 2 347.484 2.138 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnn(-c2ccccn2)c1 ZINC001437626602 1090141882 /nfs/dbraw/zinc/14/18/82/1090141882.db2.gz UZXXZDAEYANLQA-UHFFFAOYSA-N 1 2 333.823 2.072 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnn(-c2ccccn2)c1 ZINC001437626602 1090141885 /nfs/dbraw/zinc/14/18/85/1090141885.db2.gz UZXXZDAEYANLQA-UHFFFAOYSA-N 1 2 333.823 2.072 20 30 EEEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)[C@@H](C)C2CCC2)CC1 ZINC001437958550 1090555858 /nfs/dbraw/zinc/55/58/58/1090555858.db2.gz ZAOQQNATDBHWFU-HNNXBMFYSA-N 1 2 327.900 2.251 20 30 EEEDLO Cc1noc([C@H](C)[NH2+]Cc2ccc(CNC(=O)[C@@H](C)C#N)cc2)n1 ZINC001438447615 1090952658 /nfs/dbraw/zinc/95/26/58/1090952658.db2.gz URCYLWHXGUAYSZ-RYUDHWBXSA-N 1 2 327.388 2.005 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(=O)[nH]c2c1CCCC2 ZINC001445869247 1091792166 /nfs/dbraw/zinc/79/21/66/1091792166.db2.gz BKFLYMOMCONSML-GFCCVEGCSA-N 1 2 337.851 2.469 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(=O)[nH]c2c1CCCC2 ZINC001445869247 1091792172 /nfs/dbraw/zinc/79/21/72/1091792172.db2.gz BKFLYMOMCONSML-GFCCVEGCSA-N 1 2 337.851 2.469 20 30 EEEDLO C[C@]1(CNC(=O)c2cc(C#N)c[nH]2)CCC[N@H+](Cc2cscn2)C1 ZINC001439933424 1093020075 /nfs/dbraw/zinc/02/00/75/1093020075.db2.gz KUKOYJWOIYKYPB-QGZVFWFLSA-N 1 2 343.456 2.375 20 30 EEEDLO C[C@]1(CNC(=O)c2cc(C#N)c[nH]2)CCC[N@@H+](Cc2cscn2)C1 ZINC001439933424 1093020078 /nfs/dbraw/zinc/02/00/78/1093020078.db2.gz KUKOYJWOIYKYPB-QGZVFWFLSA-N 1 2 343.456 2.375 20 30 EEEDLO C[C@H](C#N)C(=O)N(CC[NH2+][C@@H](C)c1csnn1)Cc1ccccc1 ZINC001440130034 1093194343 /nfs/dbraw/zinc/19/43/43/1093194343.db2.gz XCUXVDXTNLWATN-KGLIPLIRSA-N 1 2 343.456 2.377 20 30 EEEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001443295011 1097778977 /nfs/dbraw/zinc/77/89/77/1097778977.db2.gz AQUQHMQXHLQOJJ-DLBZAZTESA-N 1 2 339.911 2.251 20 30 EEEDLO CO[C@H](C)CCC(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001443589859 1098080978 /nfs/dbraw/zinc/08/09/78/1098080978.db2.gz ZXHDPSREYJGXDE-CYBMUJFWSA-N 1 2 333.407 2.060 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cnnn2CC)C1 ZINC001479904285 1099289889 /nfs/dbraw/zinc/28/98/89/1099289889.db2.gz CEXMEOPTIPIWNV-MRXNPFEDSA-N 1 2 331.464 2.147 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@H+](Cc2cnnn2CC)C1 ZINC001479904285 1099289894 /nfs/dbraw/zinc/28/98/94/1099289894.db2.gz CEXMEOPTIPIWNV-MRXNPFEDSA-N 1 2 331.464 2.147 20 30 EEEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)COCC1CC1 ZINC001496668104 1101269651 /nfs/dbraw/zinc/26/96/51/1101269651.db2.gz VJYDMVLNZJNRBX-UHFFFAOYSA-N 1 2 333.407 2.014 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)COCC1CC1 ZINC001496668104 1101269655 /nfs/dbraw/zinc/26/96/55/1101269655.db2.gz VJYDMVLNZJNRBX-UHFFFAOYSA-N 1 2 333.407 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnn2cc(OC)ccc12 ZINC001496804726 1101500589 /nfs/dbraw/zinc/50/05/89/1101500589.db2.gz MICMWLRMEURUDC-UHFFFAOYSA-N 1 2 336.823 2.099 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnn2cc(OC)ccc12 ZINC001496804726 1101500599 /nfs/dbraw/zinc/50/05/99/1101500599.db2.gz MICMWLRMEURUDC-UHFFFAOYSA-N 1 2 336.823 2.099 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC001496819620 1101531069 /nfs/dbraw/zinc/53/10/69/1101531069.db2.gz SAODGVJNRBIXRL-CYBMUJFWSA-N 1 2 331.888 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC001496819620 1101531072 /nfs/dbraw/zinc/53/10/72/1101531072.db2.gz SAODGVJNRBIXRL-CYBMUJFWSA-N 1 2 331.888 2.070 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H](C)c1ccc(CNC(=O)Cc2nnc[nH]2)cc1 ZINC001501681397 1113431864 /nfs/dbraw/zinc/43/18/64/1113431864.db2.gz IHJJHAOOCOYYCY-LBPRGKRZSA-N 1 2 333.823 2.067 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@H](CNC(=O)[C@H](C)C#N)C(C)(C)C)c(C)[nH+]1 ZINC001511805569 1118268585 /nfs/dbraw/zinc/26/85/85/1118268585.db2.gz QEBJPKITGSKUHJ-IUODEOHRSA-N 1 2 344.459 2.427 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)CC1CCOCC1 ZINC001520325286 1119146343 /nfs/dbraw/zinc/14/63/43/1119146343.db2.gz DVPOPBKJKQFOEM-UHFFFAOYSA-N 1 2 333.480 2.313 20 30 EEEDLO Cn1cc[nH+]c1CCC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001548642114 1124407791 /nfs/dbraw/zinc/40/77/91/1124407791.db2.gz TZUTWZBABIEXCL-UHFFFAOYSA-N 1 2 338.411 2.294 20 30 EEEDLO C=CC1CCN(C(=O)NC[C@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC000173431188 539547779 /nfs/dbraw/zinc/54/77/79/539547779.db2.gz XPZWDANUZJAWRC-OAHLLOKOSA-N 1 2 344.463 2.095 20 30 EEEDLO C=CC1CCN(C(=O)NC[C@H]2CCCN2c2cc(NC)nc[nH+]2)CC1 ZINC000173431188 539547781 /nfs/dbraw/zinc/54/77/81/539547781.db2.gz XPZWDANUZJAWRC-OAHLLOKOSA-N 1 2 344.463 2.095 20 30 EEEDLO C[C@H](c1nccs1)N1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000184603145 235443871 /nfs/dbraw/zinc/44/38/71/235443871.db2.gz SGLBNRYBWVGZRP-RHSMWYFYSA-N 1 2 342.468 2.427 20 30 EEEDLO Cc1nc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)sc1SCC#N ZINC000160071449 237233029 /nfs/dbraw/zinc/23/30/29/237233029.db2.gz PATPRWLGKMVULI-JTQLQIEISA-N 1 2 333.442 2.465 20 30 EEEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000438841077 242052526 /nfs/dbraw/zinc/05/25/26/242052526.db2.gz ONDSRJUFORGZTK-DOTOQJQBSA-N 1 2 330.432 2.051 20 30 EEEDLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000438841077 242052533 /nfs/dbraw/zinc/05/25/33/242052533.db2.gz ONDSRJUFORGZTK-DOTOQJQBSA-N 1 2 330.432 2.051 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C(C)(C)C(N)=O ZINC000451135755 243009629 /nfs/dbraw/zinc/00/96/29/243009629.db2.gz NEOHESWZGRQGSK-GFCCVEGCSA-N 1 2 348.472 2.073 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C(C)(C)C(N)=O ZINC000451135755 243009636 /nfs/dbraw/zinc/00/96/36/243009636.db2.gz NEOHESWZGRQGSK-GFCCVEGCSA-N 1 2 348.472 2.073 20 30 EEEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452053368 243337157 /nfs/dbraw/zinc/33/71/57/243337157.db2.gz PCBVUXNGHDPSNW-GJZGRUSLSA-N 1 2 337.427 2.199 20 30 EEEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452053368 243337163 /nfs/dbraw/zinc/33/71/63/243337163.db2.gz PCBVUXNGHDPSNW-GJZGRUSLSA-N 1 2 337.427 2.199 20 30 EEEDLO N#Cc1ccc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000455549098 244024991 /nfs/dbraw/zinc/02/49/91/244024991.db2.gz UONFPGPVUWNHSD-UHFFFAOYSA-N 1 2 339.374 2.124 20 30 EEEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455708356 244063926 /nfs/dbraw/zinc/06/39/26/244063926.db2.gz TVYKCYQXZIFJFS-CYBMUJFWSA-N 1 2 349.866 2.163 20 30 EEEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000491703285 246119520 /nfs/dbraw/zinc/11/95/20/246119520.db2.gz SJMPSAOMQFOHKR-OTYXRUKQSA-N 1 2 325.821 2.080 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000491703285 246119525 /nfs/dbraw/zinc/11/95/25/246119525.db2.gz SJMPSAOMQFOHKR-OTYXRUKQSA-N 1 2 325.821 2.080 20 30 EEEDLO C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000265178424 247273535 /nfs/dbraw/zinc/27/35/35/247273535.db2.gz IKIWSUWEKLOGRX-QWRGUYRKSA-N 1 2 328.338 2.493 20 30 EEEDLO C=CCc1cc(C[N@@H+](C)Cc2nc(CCOC)no2)cc(OC)c1O ZINC000093587167 218233454 /nfs/dbraw/zinc/23/34/54/218233454.db2.gz CEJIEDMNJMTOFT-UHFFFAOYSA-N 1 2 347.415 2.333 20 30 EEEDLO C=CCc1cc(C[N@H+](C)Cc2nc(CCOC)no2)cc(OC)c1O ZINC000093587167 218233455 /nfs/dbraw/zinc/23/34/55/218233455.db2.gz CEJIEDMNJMTOFT-UHFFFAOYSA-N 1 2 347.415 2.333 20 30 EEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(O)CC1 ZINC000108356624 533152908 /nfs/dbraw/zinc/15/29/08/533152908.db2.gz ISXIQOCYPKANNV-ZDUSSCGKSA-N 1 2 333.457 2.334 20 30 EEEDLO C[C@@H]1CN(CC[N@H+](C)Cc2cn3ccccc3c2C#N)C[C@H](C)O1 ZINC000195304380 256010018 /nfs/dbraw/zinc/01/00/18/256010018.db2.gz SHNFDPGJFJVPSK-IYBDPMFKSA-N 1 2 326.444 2.352 20 30 EEEDLO C[C@@H]1CN(CC[N@@H+](C)Cc2cn3ccccc3c2C#N)C[C@H](C)O1 ZINC000195304380 256010019 /nfs/dbraw/zinc/01/00/19/256010019.db2.gz SHNFDPGJFJVPSK-IYBDPMFKSA-N 1 2 326.444 2.352 20 30 EEEDLO C[C@@H](c1ccc(C#N)cc1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000118391653 221146526 /nfs/dbraw/zinc/14/65/26/221146526.db2.gz BLNMDGFZISQJPJ-KRWDZBQOSA-N 1 2 340.471 2.249 20 30 EEEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)S1 ZINC000267859724 256091996 /nfs/dbraw/zinc/09/19/96/256091996.db2.gz GGAIGIJGLBUTRQ-UHFFFAOYSA-N 1 2 342.468 2.126 20 30 EEEDLO CCOCC[NH+]1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000270535105 256145218 /nfs/dbraw/zinc/14/52/18/256145218.db2.gz WCTCRTMFCIPKJX-UHFFFAOYSA-N 1 2 338.249 2.479 20 30 EEEDLO C#C[C@@H](C)N(C)C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000491767572 533221799 /nfs/dbraw/zinc/22/17/99/533221799.db2.gz IXZSPJGFHZRJNF-SJLPKXTDSA-N 1 2 329.444 2.031 20 30 EEEDLO COCC(C)(C)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000291732023 269723887 /nfs/dbraw/zinc/72/38/87/269723887.db2.gz ILSXBUMCDSEZSQ-UHFFFAOYSA-N 1 2 344.459 2.058 20 30 EEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000120815620 142397894 /nfs/dbraw/zinc/39/78/94/142397894.db2.gz ZWYWNJRNDBIWDR-INIZCTEOSA-N 1 2 345.468 2.107 20 30 EEEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000120815620 142397898 /nfs/dbraw/zinc/39/78/98/142397898.db2.gz ZWYWNJRNDBIWDR-INIZCTEOSA-N 1 2 345.468 2.107 20 30 EEEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000247783188 160332350 /nfs/dbraw/zinc/33/23/50/160332350.db2.gz XYHFXEFKNNWYCR-SWLSCSKDSA-N 1 2 348.403 2.166 20 30 EEEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000359986621 164209938 /nfs/dbraw/zinc/20/99/38/164209938.db2.gz KODBJOLXRWVDOM-UHFFFAOYSA-N 1 2 349.387 2.075 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000369353998 166243597 /nfs/dbraw/zinc/24/35/97/166243597.db2.gz PPVBHMAHWJZWHX-HNNXBMFYSA-N 1 2 344.440 2.169 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)CC1 ZINC000283068606 270016931 /nfs/dbraw/zinc/01/69/31/270016931.db2.gz QDXCUIUPDLZQPL-UHFFFAOYSA-N 1 2 348.454 2.228 20 30 EEEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000292950412 270017920 /nfs/dbraw/zinc/01/79/20/270017920.db2.gz KMCDJMYPUSIUAO-MRXNPFEDSA-N 1 2 331.807 2.133 20 30 EEEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000292950412 270017921 /nfs/dbraw/zinc/01/79/21/270017921.db2.gz KMCDJMYPUSIUAO-MRXNPFEDSA-N 1 2 331.807 2.133 20 30 EEEDLO Cc1cc(C)nc(N2CC[NH+](Cc3cccc(C#N)c3F)CC2)n1 ZINC000332382660 270019036 /nfs/dbraw/zinc/01/90/36/270019036.db2.gz HNKWNGVODWRMCR-UHFFFAOYSA-N 1 2 325.391 2.426 20 30 EEEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ns1 ZINC000277509383 267319306 /nfs/dbraw/zinc/31/93/06/267319306.db2.gz BMMNNPPWKOUWHS-UHFFFAOYSA-N 1 2 326.425 2.281 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)CCO1 ZINC000332408586 267834783 /nfs/dbraw/zinc/83/47/83/267834783.db2.gz IRQQPMUTDSGSQB-XHDPSFHLSA-N 1 2 346.337 2.220 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nnc(-c4ccco4)o3)C2)nc1 ZINC000292208615 268186076 /nfs/dbraw/zinc/18/60/76/268186076.db2.gz OFOYZNFDAPGJRE-ZDUSSCGKSA-N 1 2 337.339 2.250 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nnc(-c4ccco4)o3)C2)nc1 ZINC000292208615 268186079 /nfs/dbraw/zinc/18/60/79/268186079.db2.gz OFOYZNFDAPGJRE-ZDUSSCGKSA-N 1 2 337.339 2.250 20 30 EEEDLO N#Cc1cccc(C#N)c1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000302457989 268235327 /nfs/dbraw/zinc/23/53/27/268235327.db2.gz QVXQKYKQXASUFO-UHFFFAOYSA-N 1 2 342.406 2.400 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc4cc[nH]c4n3)CC2)cc1 ZINC000540928632 318084515 /nfs/dbraw/zinc/08/45/15/318084515.db2.gz OGRFTQCAVIUQTQ-UHFFFAOYSA-N 1 2 345.406 2.393 20 30 EEEDLO Cc1ccc(C)c(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)c1 ZINC000576141272 320144854 /nfs/dbraw/zinc/14/48/54/320144854.db2.gz DRCJETZDYFEAPI-UHFFFAOYSA-N 1 2 337.423 2.217 20 30 EEEDLO C[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1nc(C(C)(C)C)no1 ZINC000577063301 320228912 /nfs/dbraw/zinc/22/89/12/320228912.db2.gz ZQLSPJVZCCNWDZ-JTQLQIEISA-N 1 2 325.376 2.132 20 30 EEEDLO N#Cc1cnc(C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)nc1 ZINC000580541055 324084182 /nfs/dbraw/zinc/08/41/82/324084182.db2.gz NKAAOGHIMPSDNR-UHFFFAOYSA-N 1 2 334.379 2.409 20 30 EEEDLO N#Cc1cnc(C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)nc1 ZINC000580541055 324084186 /nfs/dbraw/zinc/08/41/86/324084186.db2.gz NKAAOGHIMPSDNR-UHFFFAOYSA-N 1 2 334.379 2.409 20 30 EEEDLO CCc1nnc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)[nH]1 ZINC000295938470 465029572 /nfs/dbraw/zinc/02/95/72/465029572.db2.gz GFHBUBITQLTCQK-UHFFFAOYSA-N 1 2 335.415 2.434 20 30 EEEDLO C=CCN(CCOC)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000358286267 465039365 /nfs/dbraw/zinc/03/93/65/465039365.db2.gz GSGKBDJFGGQQND-MRXNPFEDSA-N 1 2 346.406 2.493 20 30 EEEDLO CCC[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1nnc2ccccn21 ZINC000347638354 465140051 /nfs/dbraw/zinc/14/00/51/465140051.db2.gz PEUURIRWRYHSIX-DOTOQJQBSA-N 1 2 348.410 2.258 20 30 EEEDLO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000329007420 465201709 /nfs/dbraw/zinc/20/17/09/465201709.db2.gz YHNWKKYHDLCRQM-KANFNMMFSA-N 1 2 344.459 2.425 20 30 EEEDLO Cn1nccc1[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000329007420 465201713 /nfs/dbraw/zinc/20/17/13/465201713.db2.gz YHNWKKYHDLCRQM-KANFNMMFSA-N 1 2 344.459 2.425 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@@H]2CCCS2)CCC(=O)N1C1CC1 ZINC000329043205 465213834 /nfs/dbraw/zinc/21/38/34/465213834.db2.gz UCRGSESMUSODFN-IVMMDQJWSA-N 1 2 348.472 2.467 20 30 EEEDLO C=CCOc1cccnc1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000341559454 465232504 /nfs/dbraw/zinc/23/25/04/465232504.db2.gz GAHBERCURANNQS-HNNXBMFYSA-N 1 2 340.427 2.475 20 30 EEEDLO Cc1cn2cc(NC(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)ccc2[nH+]1 ZINC000329106766 465235419 /nfs/dbraw/zinc/23/54/19/465235419.db2.gz HPIJPTKKUOGJBY-CXAGYDPISA-N 1 2 330.388 2.307 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CCN(Cc3ccccc3)[C@@H](CC)C2)C1=O ZINC000337205795 465243260 /nfs/dbraw/zinc/24/32/60/465243260.db2.gz LGAZEOTWRDMEKT-RBUKOAKNSA-N 1 2 327.472 2.370 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(Cc3ccccc3)[C@@H](CC)C2)C1=O ZINC000337205795 465243267 /nfs/dbraw/zinc/24/32/67/465243267.db2.gz LGAZEOTWRDMEKT-RBUKOAKNSA-N 1 2 327.472 2.370 20 30 EEEDLO C=CCN(CC=C)C(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000297658950 465265849 /nfs/dbraw/zinc/26/58/49/465265849.db2.gz YTVMCGAVVOFZFV-HNNXBMFYSA-N 1 2 347.484 2.154 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)Nc2ccccc2OC)CC1 ZINC000341986639 465280971 /nfs/dbraw/zinc/28/09/71/465280971.db2.gz ZRNFHCCAUQUIIQ-AWEZNQCLSA-N 1 2 331.416 2.274 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000341983722 465281479 /nfs/dbraw/zinc/28/14/79/465281479.db2.gz UTNSGFNYNZWWPX-QGZVFWFLSA-N 1 2 345.418 2.398 20 30 EEEDLO C=CCCCCCN(C)C(=O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000342268745 465306159 /nfs/dbraw/zinc/30/61/59/465306159.db2.gz OJQHQAYEUMWWJR-INIZCTEOSA-N 1 2 346.475 2.390 20 30 EEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)[C@]12CCCO2 ZINC000329606316 465384951 /nfs/dbraw/zinc/38/49/51/465384951.db2.gz ZSWKRZNVTRQIPL-OIPACUDHSA-N 1 2 348.447 2.230 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@@H](c2ccsc2)C1 ZINC000329604985 465385007 /nfs/dbraw/zinc/38/50/07/465385007.db2.gz LYLVFYDEHSWOGZ-IUODEOHRSA-N 1 2 332.429 2.316 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@@H](c2ccsc2)C1 ZINC000329604985 465385013 /nfs/dbraw/zinc/38/50/13/465385013.db2.gz LYLVFYDEHSWOGZ-IUODEOHRSA-N 1 2 332.429 2.316 20 30 EEEDLO C[C@@H]1C(NNc2[nH+]cncc2Cl)=CC(=O)N1C(=O)OC(C)(C)C ZINC000496508685 468294809 /nfs/dbraw/zinc/29/48/09/468294809.db2.gz RZWDCEMQHPECAH-MRVPVSSYSA-N 1 2 339.783 2.454 20 30 EEEDLO C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)[nH+]c2C)cc1 ZINC000127592879 462567205 /nfs/dbraw/zinc/56/72/05/462567205.db2.gz LVQTXSUFJUUWKY-UHFFFAOYSA-N 1 2 345.424 2.415 20 30 EEEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000088757807 462643741 /nfs/dbraw/zinc/64/37/41/462643741.db2.gz PGSUUVDWWOIUBL-AWEZNQCLSA-N 1 2 346.862 2.345 20 30 EEEDLO CCc1nsc(N2CC[NH+](Cc3cc(C#N)ccc3OC)CC2)n1 ZINC000154150335 462734546 /nfs/dbraw/zinc/73/45/46/462734546.db2.gz GPMPDRWIHPMBQC-UHFFFAOYSA-N 1 2 343.456 2.303 20 30 EEEDLO CC#CCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000155041697 462839849 /nfs/dbraw/zinc/83/98/49/462839849.db2.gz UCRMEMXWGQRJDV-UHFFFAOYSA-N 1 2 326.849 2.060 20 30 EEEDLO CC[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)C[C@H](C)C#N ZINC000066424883 462888119 /nfs/dbraw/zinc/88/81/19/462888119.db2.gz FDVWSXCQUALWCU-QGZVFWFLSA-N 1 2 343.471 2.333 20 30 EEEDLO CC[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)C[C@H](C)C#N ZINC000066424883 462888126 /nfs/dbraw/zinc/88/81/26/462888126.db2.gz FDVWSXCQUALWCU-QGZVFWFLSA-N 1 2 343.471 2.333 20 30 EEEDLO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N)c1 ZINC000066469270 462892938 /nfs/dbraw/zinc/89/29/38/462892938.db2.gz PQISQUZTELGBQE-RDBSUJKOSA-N 1 2 333.432 2.361 20 30 EEEDLO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N)c1 ZINC000066469270 462892942 /nfs/dbraw/zinc/89/29/42/462892942.db2.gz PQISQUZTELGBQE-RDBSUJKOSA-N 1 2 333.432 2.361 20 30 EEEDLO C=CCCS(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000119451118 462901933 /nfs/dbraw/zinc/90/19/33/462901933.db2.gz CUXBYUDUPKYEQM-HNNXBMFYSA-N 1 2 335.429 2.014 20 30 EEEDLO C=CCCS(=O)(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000119474288 462904199 /nfs/dbraw/zinc/90/41/99/462904199.db2.gz FCNUVVCVGIKURQ-UHFFFAOYSA-N 1 2 326.437 2.239 20 30 EEEDLO C=CCCS(=O)(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000119474288 462904202 /nfs/dbraw/zinc/90/42/02/462904202.db2.gz FCNUVVCVGIKURQ-UHFFFAOYSA-N 1 2 326.437 2.239 20 30 EEEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000016628959 462984419 /nfs/dbraw/zinc/98/44/19/462984419.db2.gz SJPOQPSVGWOSQS-INIZCTEOSA-N 1 2 337.379 2.269 20 30 EEEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000016628959 462984424 /nfs/dbraw/zinc/98/44/24/462984424.db2.gz SJPOQPSVGWOSQS-INIZCTEOSA-N 1 2 337.379 2.269 20 30 EEEDLO C#CC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000135193359 463128307 /nfs/dbraw/zinc/12/83/07/463128307.db2.gz VDFUJZOXVXQTDR-MRXNPFEDSA-N 1 2 330.453 2.110 20 30 EEEDLO C#CC[N@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000135193359 463128310 /nfs/dbraw/zinc/12/83/10/463128310.db2.gz VDFUJZOXVXQTDR-MRXNPFEDSA-N 1 2 330.453 2.110 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000078754112 463146524 /nfs/dbraw/zinc/14/65/24/463146524.db2.gz RKVYKLZUJSFISQ-SFHVURJKSA-N 1 2 341.455 2.314 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000078754112 463146530 /nfs/dbraw/zinc/14/65/30/463146530.db2.gz RKVYKLZUJSFISQ-SFHVURJKSA-N 1 2 341.455 2.314 20 30 EEEDLO N#Cc1csc(C[NH+]2CCN(CC(=O)N3CCCCCC3)CC2)c1 ZINC000121680650 463176750 /nfs/dbraw/zinc/17/67/50/463176750.db2.gz USCVVCWSIVXFSL-UHFFFAOYSA-N 1 2 346.500 2.140 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000069341214 463232950 /nfs/dbraw/zinc/23/29/50/463232950.db2.gz DCMLCTFKTYHUMM-SJLPKXTDSA-N 1 2 332.444 2.157 20 30 EEEDLO N#Cc1ccccc1S(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000029394246 463256177 /nfs/dbraw/zinc/25/61/77/463256177.db2.gz YBJWTPUISTUDSW-UHFFFAOYSA-N 1 2 342.424 2.032 20 30 EEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029856831 463275826 /nfs/dbraw/zinc/27/58/26/463275826.db2.gz HHBRXLXREGPBCQ-CQSZACIVSA-N 1 2 344.434 2.267 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000159854180 463308393 /nfs/dbraw/zinc/30/83/93/463308393.db2.gz VSWIADXSJLNWGL-MRXNPFEDSA-N 1 2 333.432 2.237 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000159854180 463308397 /nfs/dbraw/zinc/30/83/97/463308397.db2.gz VSWIADXSJLNWGL-MRXNPFEDSA-N 1 2 333.432 2.237 20 30 EEEDLO N#Cc1nccnc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000097049836 463311952 /nfs/dbraw/zinc/31/19/52/463311952.db2.gz LFJMUCFAGXRGAU-UHFFFAOYSA-N 1 2 330.395 2.350 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2ccccn2)CC1 ZINC000042643131 463583394 /nfs/dbraw/zinc/58/33/94/463583394.db2.gz GUIWFRMJJBVKDN-KRWDZBQOSA-N 1 2 330.476 2.012 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[NH+](Cc2ccccn2)CC1 ZINC000042643131 463583401 /nfs/dbraw/zinc/58/34/01/463583401.db2.gz GUIWFRMJJBVKDN-KRWDZBQOSA-N 1 2 330.476 2.012 20 30 EEEDLO CCCNC(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000058499317 463604088 /nfs/dbraw/zinc/60/40/88/463604088.db2.gz ICOYVKMYZHVXFN-UHFFFAOYSA-N 1 2 341.411 2.429 20 30 EEEDLO Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000164129210 463615017 /nfs/dbraw/zinc/61/50/17/463615017.db2.gz PPQCNTMDSBNUBR-HOTGVXAUSA-N 1 2 347.484 2.235 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000073606505 463631577 /nfs/dbraw/zinc/63/15/77/463631577.db2.gz YSQJAQLFGUNIFJ-AWEZNQCLSA-N 1 2 333.407 2.285 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000073606505 463631581 /nfs/dbraw/zinc/63/15/81/463631581.db2.gz YSQJAQLFGUNIFJ-AWEZNQCLSA-N 1 2 333.407 2.285 20 30 EEEDLO C=C[C@H](CC(=O)N1CCC[N@@H+](CC(=O)NCC)CC1)c1ccccc1 ZINC000152426371 463688883 /nfs/dbraw/zinc/68/88/83/463688883.db2.gz WXJRIEQGBUBABI-QGZVFWFLSA-N 1 2 343.471 2.017 20 30 EEEDLO C=C[C@H](CC(=O)N1CCC[N@H+](CC(=O)NCC)CC1)c1ccccc1 ZINC000152426371 463688885 /nfs/dbraw/zinc/68/88/85/463688885.db2.gz WXJRIEQGBUBABI-QGZVFWFLSA-N 1 2 343.471 2.017 20 30 EEEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000276663811 463709469 /nfs/dbraw/zinc/70/94/69/463709469.db2.gz UCJAWRPWTDXBIO-INIZCTEOSA-N 1 2 341.415 2.445 20 30 EEEDLO COC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000177457569 463709794 /nfs/dbraw/zinc/70/97/94/463709794.db2.gz GCBKSRKUMWZMMG-INIZCTEOSA-N 1 2 335.791 2.035 20 30 EEEDLO COC(=O)[C@@]1(C)CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000177457569 463709800 /nfs/dbraw/zinc/70/98/00/463709800.db2.gz GCBKSRKUMWZMMG-INIZCTEOSA-N 1 2 335.791 2.035 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2Cc2cccs2)CC1 ZINC000283019748 463735263 /nfs/dbraw/zinc/73/52/63/463735263.db2.gz ORBJZOFUQUCHRX-UHFFFAOYSA-N 1 2 343.500 2.342 20 30 EEEDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)[nH]1 ZINC000268471538 463757097 /nfs/dbraw/zinc/75/70/97/463757097.db2.gz MKFJKTDZGHQULN-OAHLLOKOSA-N 1 2 349.398 2.414 20 30 EEEDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)[nH]1 ZINC000268471538 463757103 /nfs/dbraw/zinc/75/71/03/463757103.db2.gz MKFJKTDZGHQULN-OAHLLOKOSA-N 1 2 349.398 2.414 20 30 EEEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)n1 ZINC000268471538 463757109 /nfs/dbraw/zinc/75/71/09/463757109.db2.gz MKFJKTDZGHQULN-OAHLLOKOSA-N 1 2 349.398 2.414 20 30 EEEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)n1 ZINC000268471538 463757115 /nfs/dbraw/zinc/75/71/15/463757115.db2.gz MKFJKTDZGHQULN-OAHLLOKOSA-N 1 2 349.398 2.414 20 30 EEEDLO Cc1nc([C@@H]2CCC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)n[nH]1 ZINC000268471538 463757122 /nfs/dbraw/zinc/75/71/22/463757122.db2.gz MKFJKTDZGHQULN-OAHLLOKOSA-N 1 2 349.398 2.414 20 30 EEEDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)n[nH]1 ZINC000268471538 463757126 /nfs/dbraw/zinc/75/71/26/463757126.db2.gz MKFJKTDZGHQULN-OAHLLOKOSA-N 1 2 349.398 2.414 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000177787754 463791038 /nfs/dbraw/zinc/79/10/38/463791038.db2.gz PWMKVRNKFAQEIW-KRWDZBQOSA-N 1 2 345.487 2.323 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000177787754 463791040 /nfs/dbraw/zinc/79/10/40/463791040.db2.gz PWMKVRNKFAQEIW-KRWDZBQOSA-N 1 2 345.487 2.323 20 30 EEEDLO C=C(C)COCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177795670 463793732 /nfs/dbraw/zinc/79/37/32/463793732.db2.gz VCYOEIRBGBPRAG-UHFFFAOYSA-N 1 2 330.344 2.103 20 30 EEEDLO N#Cc1ccc(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000194728430 463916537 /nfs/dbraw/zinc/91/65/37/463916537.db2.gz KUVHVZSUKISFJD-FQEVSTJZSA-N 1 2 349.434 2.290 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000194860454 463944884 /nfs/dbraw/zinc/94/48/84/463944884.db2.gz YPXSMMZCUQJUAH-UHFFFAOYSA-N 1 2 338.411 2.050 20 30 EEEDLO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000298584498 465441302 /nfs/dbraw/zinc/44/13/02/465441302.db2.gz WDYJTNDQEZSJBY-AWEZNQCLSA-N 1 2 331.441 2.068 20 30 EEEDLO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000298584498 465441309 /nfs/dbraw/zinc/44/13/09/465441309.db2.gz WDYJTNDQEZSJBY-AWEZNQCLSA-N 1 2 331.441 2.068 20 30 EEEDLO CCN(C(=O)CO[NH+]=C(N)[C@@H]1CCCO1)[C@@H](C)c1ccc(F)cc1 ZINC000283890989 464032069 /nfs/dbraw/zinc/03/20/69/464032069.db2.gz CYOZKDFANPQTSD-WFASDCNBSA-N 1 2 337.395 2.203 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3O)CC2)cc1 ZINC000269692256 464059885 /nfs/dbraw/zinc/05/98/85/464059885.db2.gz HKQPHMHZDYTONE-UHFFFAOYSA-N 1 2 339.370 2.361 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1Cc2ccccc2OC(C)(C)C1)C1CC1 ZINC000289151656 464069203 /nfs/dbraw/zinc/06/92/03/464069203.db2.gz ZPJHFBVOPZMUAK-LJQANCHMSA-N 1 2 327.428 2.468 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@H+]1Cc2ccccc2OC(C)(C)C1)C1CC1 ZINC000289151656 464069210 /nfs/dbraw/zinc/06/92/10/464069210.db2.gz ZPJHFBVOPZMUAK-LJQANCHMSA-N 1 2 327.428 2.468 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000289708368 464091837 /nfs/dbraw/zinc/09/18/37/464091837.db2.gz WNVUPRHLPOLQLE-UHFFFAOYSA-N 1 2 337.423 2.160 20 30 EEEDLO Cc1ccc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)s1 ZINC000290288726 464113700 /nfs/dbraw/zinc/11/37/00/464113700.db2.gz MQSUDPIBUATYCG-UHFFFAOYSA-N 1 2 335.454 2.229 20 30 EEEDLO Cc1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)s1 ZINC000290288726 464113704 /nfs/dbraw/zinc/11/37/04/464113704.db2.gz MQSUDPIBUATYCG-UHFFFAOYSA-N 1 2 335.454 2.229 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)NCc2ccccc2F)n1 ZINC000279659952 464122463 /nfs/dbraw/zinc/12/24/63/464122463.db2.gz CPVJLDRDTJZXQK-HNNXBMFYSA-N 1 2 342.418 2.182 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NCc2ccccc2F)n1 ZINC000279659952 464122467 /nfs/dbraw/zinc/12/24/67/464122467.db2.gz CPVJLDRDTJZXQK-HNNXBMFYSA-N 1 2 342.418 2.182 20 30 EEEDLO CC(C)(C)[C@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000279734299 464136416 /nfs/dbraw/zinc/13/64/16/464136416.db2.gz JXVAPNYJCSSERM-IAGOWNOFSA-N 1 2 327.428 2.410 20 30 EEEDLO CC(C)(C)[C@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000279734299 464136422 /nfs/dbraw/zinc/13/64/22/464136422.db2.gz JXVAPNYJCSSERM-IAGOWNOFSA-N 1 2 327.428 2.410 20 30 EEEDLO C=C(C)[C@H](CC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1)OCC ZINC000270095389 464186105 /nfs/dbraw/zinc/18/61/05/464186105.db2.gz YKPKULVMGRLSOF-INIZCTEOSA-N 1 2 337.489 2.467 20 30 EEEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1S(=O)(=O)CCCC#N ZINC000270177459 464210361 /nfs/dbraw/zinc/21/03/61/464210361.db2.gz MGJFASFENWBRBE-HNNXBMFYSA-N 1 2 346.456 2.443 20 30 EEEDLO Cc1cc(C(O)=CONC(=[NH2+])[C@H]2CCCO2)c(C)n1Cc1ccco1 ZINC000284575037 464248177 /nfs/dbraw/zinc/24/81/77/464248177.db2.gz XBWBBHSZKQHXIT-QGZVFWFLSA-N 1 2 345.399 2.397 20 30 EEEDLO CC(C)n1cnnc1C[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000292512803 464257606 /nfs/dbraw/zinc/25/76/06/464257606.db2.gz VPAXDSZNXINPKG-UHFFFAOYSA-N 1 2 326.404 2.191 20 30 EEEDLO CC(C)n1cnnc1C[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000292512803 464257614 /nfs/dbraw/zinc/25/76/14/464257614.db2.gz VPAXDSZNXINPKG-UHFFFAOYSA-N 1 2 326.404 2.191 20 30 EEEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)N(C)C2CCCCC2)cs1 ZINC000174113736 464363802 /nfs/dbraw/zinc/36/38/02/464363802.db2.gz SOOJAMWNJUZMPI-NSHDSACASA-N 1 2 338.477 2.462 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nc3ccc(Cl)cc3n2C)C1=O ZINC000281206616 464370868 /nfs/dbraw/zinc/37/08/68/464370868.db2.gz JKDYZOPARMDZFM-AWEZNQCLSA-N 1 2 332.835 2.445 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nc3ccc(Cl)cc3n2C)C1=O ZINC000281206616 464370871 /nfs/dbraw/zinc/37/08/71/464370871.db2.gz JKDYZOPARMDZFM-AWEZNQCLSA-N 1 2 332.835 2.445 20 30 EEEDLO CC(C)(CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[NH+]1CCOCC1 ZINC000284904483 464385159 /nfs/dbraw/zinc/38/51/59/464385159.db2.gz APXDMIKMKZRGTF-UHFFFAOYSA-N 1 2 347.434 2.202 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000293314606 464399122 /nfs/dbraw/zinc/39/91/22/464399122.db2.gz XEOGXKCZLBQSIF-MRXNPFEDSA-N 1 2 330.428 2.322 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000293314606 464399128 /nfs/dbraw/zinc/39/91/28/464399128.db2.gz XEOGXKCZLBQSIF-MRXNPFEDSA-N 1 2 330.428 2.322 20 30 EEEDLO C=CCN1CC[C@H]([NH2+][C@@H](C)c2nc(-c3cccc(OC)c3)no2)C1=O ZINC000281305202 464408035 /nfs/dbraw/zinc/40/80/35/464408035.db2.gz UGTCIDWTODOXJC-WFASDCNBSA-N 1 2 342.399 2.183 20 30 EEEDLO N#CCC[N@@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)CC1CC1 ZINC000174697335 464438944 /nfs/dbraw/zinc/43/89/44/464438944.db2.gz AHOGQDKDLOMCER-SFHVURJKSA-N 1 2 345.418 2.351 20 30 EEEDLO N#CCC[N@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)CC1CC1 ZINC000174697335 464438951 /nfs/dbraw/zinc/43/89/51/464438951.db2.gz AHOGQDKDLOMCER-SFHVURJKSA-N 1 2 345.418 2.351 20 30 EEEDLO CC[C@](C)(C#N)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000285053266 464439273 /nfs/dbraw/zinc/43/92/73/464439273.db2.gz KNPRMYVOMLTXNO-IEBWSBKVSA-N 1 2 329.444 2.424 20 30 EEEDLO COC(=O)C[NH+]1CCC(Nc2cccc(OCCCC#N)c2)CC1 ZINC000181141251 464450512 /nfs/dbraw/zinc/45/05/12/464450512.db2.gz FNAQTZASZZJNQQ-UHFFFAOYSA-N 1 2 331.416 2.418 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)N(CC)Cc2ccccc2)C1=O ZINC000281432762 464453937 /nfs/dbraw/zinc/45/39/37/464453937.db2.gz SPQYPTWKJAMREJ-FUHWJXTLSA-N 1 2 343.471 2.142 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)N(CC)Cc2ccccc2)C1=O ZINC000281432762 464453944 /nfs/dbraw/zinc/45/39/44/464453944.db2.gz SPQYPTWKJAMREJ-FUHWJXTLSA-N 1 2 343.471 2.142 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)N2CCCc3ccccc32)C1=O ZINC000281509622 464484158 /nfs/dbraw/zinc/48/41/58/464484158.db2.gz YPHYFHOGFHDKBY-MAUKXSAKSA-N 1 2 341.455 2.073 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)N2CCCc3ccccc32)C1=O ZINC000281509622 464484162 /nfs/dbraw/zinc/48/41/62/464484162.db2.gz YPHYFHOGFHDKBY-MAUKXSAKSA-N 1 2 341.455 2.073 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2cc(F)ccc2F)C1=O ZINC000281511787 464485981 /nfs/dbraw/zinc/48/59/81/464485981.db2.gz YUIGDKHAGCQIDE-ABAIWWIYSA-N 1 2 337.370 2.011 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2cc(F)ccc2F)C1=O ZINC000281511787 464485986 /nfs/dbraw/zinc/48/59/86/464485986.db2.gz YUIGDKHAGCQIDE-ABAIWWIYSA-N 1 2 337.370 2.011 20 30 EEEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000245804451 464516515 /nfs/dbraw/zinc/51/65/15/464516515.db2.gz PUCREDDZLZPKKR-DYVFJYSZSA-N 1 2 331.416 2.291 20 30 EEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000245804451 464516518 /nfs/dbraw/zinc/51/65/18/464516518.db2.gz PUCREDDZLZPKKR-DYVFJYSZSA-N 1 2 331.416 2.291 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000272270136 464545117 /nfs/dbraw/zinc/54/51/17/464545117.db2.gz RSIJVKVWNJPADS-HNNXBMFYSA-N 1 2 331.464 2.334 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000272270136 464545125 /nfs/dbraw/zinc/54/51/25/464545125.db2.gz RSIJVKVWNJPADS-HNNXBMFYSA-N 1 2 331.464 2.334 20 30 EEEDLO C=CCN(CCc1ccco1)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000272369603 464581251 /nfs/dbraw/zinc/58/12/51/464581251.db2.gz RRGKKEUPQMXLMK-CVEARBPZSA-N 1 2 335.448 2.129 20 30 EEEDLO Cc1noc([C@@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000285628024 464633827 /nfs/dbraw/zinc/63/38/27/464633827.db2.gz LDRZRDOYUMTFHQ-WBVHZDCISA-N 1 2 342.399 2.217 20 30 EEEDLO Cc1noc([C@@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000285628024 464633829 /nfs/dbraw/zinc/63/38/29/464633829.db2.gz LDRZRDOYUMTFHQ-WBVHZDCISA-N 1 2 342.399 2.217 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)C1=O ZINC000281940583 464642814 /nfs/dbraw/zinc/64/28/14/464642814.db2.gz ITVGHCJHKQASTN-INIZCTEOSA-N 1 2 333.407 2.262 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)C1=O ZINC000281940583 464642817 /nfs/dbraw/zinc/64/28/17/464642817.db2.gz ITVGHCJHKQASTN-INIZCTEOSA-N 1 2 333.407 2.262 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000568964448 468414178 /nfs/dbraw/zinc/41/41/78/468414178.db2.gz RMJHTINEGPIFMO-JKSUJKDBSA-N 1 2 328.416 2.136 20 30 EEEDLO CC(C)CO[C@H]1CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000247452731 464681843 /nfs/dbraw/zinc/68/18/43/464681843.db2.gz JIFCZNQHSZXBPV-GJZGRUSLSA-N 1 2 333.457 2.472 20 30 EEEDLO CC(C)CO[C@H]1CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000247452731 464681851 /nfs/dbraw/zinc/68/18/51/464681851.db2.gz JIFCZNQHSZXBPV-GJZGRUSLSA-N 1 2 333.457 2.472 20 30 EEEDLO C=CCN(CCOC)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000190638652 464692559 /nfs/dbraw/zinc/69/25/59/464692559.db2.gz APBQXUYFUXZVJX-MRXNPFEDSA-N 1 2 346.406 2.493 20 30 EEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC(=O)N[C@H](C)c1cccs1 ZINC000266170832 464767423 /nfs/dbraw/zinc/76/74/23/464767423.db2.gz CINBCKWEXTVEFS-NEPJUHHUSA-N 1 2 327.450 2.275 20 30 EEEDLO COc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)[C@H](C)OCC(C)C)cc1 ZINC000266195249 464768108 /nfs/dbraw/zinc/76/81/08/464768108.db2.gz JWRYMJDEAFQRKR-QWHCGFSZSA-N 1 2 337.420 2.372 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000248594091 464769253 /nfs/dbraw/zinc/76/92/53/464769253.db2.gz LUAGNLJZZNTKKD-AEFFLSMTSA-N 1 2 329.444 2.081 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000248594091 464769259 /nfs/dbraw/zinc/76/92/59/464769259.db2.gz LUAGNLJZZNTKKD-AEFFLSMTSA-N 1 2 329.444 2.081 20 30 EEEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000191087810 464775191 /nfs/dbraw/zinc/77/51/91/464775191.db2.gz WUIMFRZRYVDDJH-LBPRGKRZSA-N 1 2 337.376 2.065 20 30 EEEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000191087810 464775196 /nfs/dbraw/zinc/77/51/96/464775196.db2.gz WUIMFRZRYVDDJH-LBPRGKRZSA-N 1 2 337.376 2.065 20 30 EEEDLO CCn1cnc2c(c1=O)CC[N@H+](CC#Cc1cccc(Cl)c1)C2 ZINC000286146614 464818624 /nfs/dbraw/zinc/81/86/24/464818624.db2.gz NKLCOTPZNOSVJW-UHFFFAOYSA-N 1 2 327.815 2.326 20 30 EEEDLO CCn1cnc2c(c1=O)CC[N@@H+](CC#Cc1cccc(Cl)c1)C2 ZINC000286146614 464818632 /nfs/dbraw/zinc/81/86/32/464818632.db2.gz NKLCOTPZNOSVJW-UHFFFAOYSA-N 1 2 327.815 2.326 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](CO)O1 ZINC000249497131 464880421 /nfs/dbraw/zinc/88/04/21/464880421.db2.gz WIIGKVDGXCSFPS-QAPCUYQASA-N 1 2 340.427 2.045 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](CO)O1 ZINC000249497131 464880424 /nfs/dbraw/zinc/88/04/24/464880424.db2.gz WIIGKVDGXCSFPS-QAPCUYQASA-N 1 2 340.427 2.045 20 30 EEEDLO C[C@@H](CCC#N)[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000276341987 464897513 /nfs/dbraw/zinc/89/75/13/464897513.db2.gz UFNILRAXYYELCE-JTQLQIEISA-N 1 2 325.210 2.407 20 30 EEEDLO C[C@@H](CCC#N)[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000276341987 464897519 /nfs/dbraw/zinc/89/75/19/464897519.db2.gz UFNILRAXYYELCE-JTQLQIEISA-N 1 2 325.210 2.407 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ccc(F)c(OC)c2)CC1 ZINC000282658759 464900268 /nfs/dbraw/zinc/90/02/68/464900268.db2.gz BJFGVCKFWJCOOJ-UHFFFAOYSA-N 1 2 347.434 2.157 20 30 EEEDLO CCOc1ccccc1OCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000267105213 464916340 /nfs/dbraw/zinc/91/63/40/464916340.db2.gz VNOSBLUNNXEKOO-UHFFFAOYSA-N 1 2 347.459 2.012 20 30 EEEDLO C=CCOc1ccc(CNc2cc(N3CCOCC3)nc[nH+]2)cc1 ZINC000286675524 465001271 /nfs/dbraw/zinc/00/12/71/465001271.db2.gz WKIPVHQCXFHXJD-UHFFFAOYSA-N 1 2 326.400 2.490 20 30 EEEDLO C=CCOc1ccc(CNc2cc(N3CCOCC3)[nH+]cn2)cc1 ZINC000286675524 465001277 /nfs/dbraw/zinc/00/12/77/465001277.db2.gz WKIPVHQCXFHXJD-UHFFFAOYSA-N 1 2 326.400 2.490 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@](F)(CO)C2)cc1 ZINC000286769734 465023734 /nfs/dbraw/zinc/02/37/34/465023734.db2.gz GLNDMFZXZIPMKQ-LPHOPBHVSA-N 1 2 347.434 2.427 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@@](F)(CO)C2)cc1 ZINC000286769734 465023736 /nfs/dbraw/zinc/02/37/36/465023736.db2.gz GLNDMFZXZIPMKQ-LPHOPBHVSA-N 1 2 347.434 2.427 20 30 EEEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3c(C)nn(C)c3C)C2)[nH]1 ZINC000329441837 465335737 /nfs/dbraw/zinc/33/57/37/465335737.db2.gz LBXMZODNVKSBRP-GXTWGEPZSA-N 1 2 345.451 2.320 20 30 EEEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3c(C)nn(C)c3C)C2)[nH]1 ZINC000329441837 465335744 /nfs/dbraw/zinc/33/57/44/465335744.db2.gz LBXMZODNVKSBRP-GXTWGEPZSA-N 1 2 345.451 2.320 20 30 EEEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3c(C)nn(C)c3C)C2)n1 ZINC000329441837 465335750 /nfs/dbraw/zinc/33/57/50/465335750.db2.gz LBXMZODNVKSBRP-GXTWGEPZSA-N 1 2 345.451 2.320 20 30 EEEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3c(C)nn(C)c3C)C2)n1 ZINC000329441837 465335755 /nfs/dbraw/zinc/33/57/55/465335755.db2.gz LBXMZODNVKSBRP-GXTWGEPZSA-N 1 2 345.451 2.320 20 30 EEEDLO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329472133 465345715 /nfs/dbraw/zinc/34/57/15/465345715.db2.gz ZJZNHNOOWIOUPM-GJZGRUSLSA-N 1 2 333.432 2.078 20 30 EEEDLO CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329472133 465345722 /nfs/dbraw/zinc/34/57/22/465345722.db2.gz ZJZNHNOOWIOUPM-GJZGRUSLSA-N 1 2 333.432 2.078 20 30 EEEDLO CNC(=O)Cc1nc(C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)cs1 ZINC000329483404 465348636 /nfs/dbraw/zinc/34/86/36/465348636.db2.gz RVUBHMVCBBXDGN-LLVKDONJSA-N 1 2 334.449 2.078 20 30 EEEDLO CNC(=O)Cc1nc(C[N@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)cs1 ZINC000329483404 465348639 /nfs/dbraw/zinc/34/86/39/465348639.db2.gz RVUBHMVCBBXDGN-LLVKDONJSA-N 1 2 334.449 2.078 20 30 EEEDLO CNC(=O)Cc1nc(C[N@@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)cs1 ZINC000329483404 465348642 /nfs/dbraw/zinc/34/86/42/465348642.db2.gz RVUBHMVCBBXDGN-LLVKDONJSA-N 1 2 334.449 2.078 20 30 EEEDLO CNC(=O)Cc1nc(C[N@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)cs1 ZINC000329483404 465348646 /nfs/dbraw/zinc/34/86/46/465348646.db2.gz RVUBHMVCBBXDGN-LLVKDONJSA-N 1 2 334.449 2.078 20 30 EEEDLO CCOc1ccccc1C[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000358926709 465364688 /nfs/dbraw/zinc/36/46/88/465364688.db2.gz AXRREUUZTUYWQZ-UHFFFAOYSA-N 1 2 328.416 2.173 20 30 EEEDLO CCOc1ccccc1C[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000358926709 465364693 /nfs/dbraw/zinc/36/46/93/465364693.db2.gz AXRREUUZTUYWQZ-UHFFFAOYSA-N 1 2 328.416 2.173 20 30 EEEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCOCC2(CCC2)C1 ZINC000329557374 465371360 /nfs/dbraw/zinc/37/13/60/465371360.db2.gz HRKCUBQNEPGDGY-OAHLLOKOSA-N 1 2 330.432 2.077 20 30 EEEDLO O=C(CN1CC[NH+](C2CCC2)CC1)NCc1ccc2c(c1)OCO2 ZINC000329712741 465412605 /nfs/dbraw/zinc/41/26/05/465412605.db2.gz QLWVUNQJYOAULD-UHFFFAOYSA-N 1 2 331.416 2.042 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000339733568 465475446 /nfs/dbraw/zinc/47/54/46/465475446.db2.gz PFULDSPSSSPEJW-CQSZACIVSA-N 1 2 342.443 2.322 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000330020135 465508813 /nfs/dbraw/zinc/50/88/13/465508813.db2.gz WFGBWFYYRFPFOL-AWEZNQCLSA-N 1 2 336.461 2.013 20 30 EEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCC(F)(F)F ZINC000352799753 465557375 /nfs/dbraw/zinc/55/73/75/465557375.db2.gz GFTKMSRLHVAHTL-NSHDSACASA-N 1 2 334.338 2.217 20 30 EEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCC(F)(F)F ZINC000352799753 465557380 /nfs/dbraw/zinc/55/73/80/465557380.db2.gz GFTKMSRLHVAHTL-NSHDSACASA-N 1 2 334.338 2.217 20 30 EEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(=O)n2ccsc2n1 ZINC000352796706 465557489 /nfs/dbraw/zinc/55/74/89/465557489.db2.gz HKNKOMABTFITOG-UHFFFAOYSA-N 1 2 345.424 2.420 20 30 EEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(=O)n2ccsc2n1 ZINC000352796706 465557491 /nfs/dbraw/zinc/55/74/91/465557491.db2.gz HKNKOMABTFITOG-UHFFFAOYSA-N 1 2 345.424 2.420 20 30 EEEDLO C=CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000343968407 465570358 /nfs/dbraw/zinc/57/03/58/465570358.db2.gz NCBQVAPZLKTJRL-UHFFFAOYSA-N 1 2 341.436 2.415 20 30 EEEDLO C=CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000343968407 465570369 /nfs/dbraw/zinc/57/03/69/465570369.db2.gz NCBQVAPZLKTJRL-UHFFFAOYSA-N 1 2 341.436 2.415 20 30 EEEDLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000330283575 465598276 /nfs/dbraw/zinc/59/82/76/465598276.db2.gz WGPVNZPTLXBHKF-DNUAJFIVSA-N 1 2 347.459 2.116 20 30 EEEDLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000330283575 465598284 /nfs/dbraw/zinc/59/82/84/465598284.db2.gz WGPVNZPTLXBHKF-DNUAJFIVSA-N 1 2 347.459 2.116 20 30 EEEDLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000330521298 465690844 /nfs/dbraw/zinc/69/08/44/465690844.db2.gz OCTGEUHSXWGWOG-SFHVURJKSA-N 1 2 333.432 2.466 20 30 EEEDLO CC[C@@]1(C)COCC[N@H+]1CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000330521298 465690849 /nfs/dbraw/zinc/69/08/49/465690849.db2.gz OCTGEUHSXWGWOG-SFHVURJKSA-N 1 2 333.432 2.466 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000348634413 465720694 /nfs/dbraw/zinc/72/06/94/465720694.db2.gz LWSVHVZLLUXBJI-AWEZNQCLSA-N 1 2 337.427 3.019 20 30 EEEDLO C=C(C)CN(C)C(=O)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000344904016 465799704 /nfs/dbraw/zinc/79/97/04/465799704.db2.gz VHJMSGSGPVKCKB-AWEZNQCLSA-N 1 2 326.400 2.084 20 30 EEEDLO N#Cc1cnn(-c2ccc(C(=O)N3CCC[C@@H]3c3[nH]cc[nH+]3)cc2)c1N ZINC000371443208 465799737 /nfs/dbraw/zinc/79/97/37/465799737.db2.gz OMOMVXHEWZBDRV-OAHLLOKOSA-N 1 2 347.382 2.027 20 30 EEEDLO O=C(NCC#Cc1cccc(F)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000555213020 468463723 /nfs/dbraw/zinc/46/37/23/468463723.db2.gz OLXBLGHONDXKLU-UHFFFAOYSA-N 1 2 326.375 2.490 20 30 EEEDLO O=C(NCC#Cc1cccc(F)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000555213020 468463729 /nfs/dbraw/zinc/46/37/29/468463729.db2.gz OLXBLGHONDXKLU-UHFFFAOYSA-N 1 2 326.375 2.490 20 30 EEEDLO N#Cc1ncn(CCNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)n1 ZINC000349343053 466075767 /nfs/dbraw/zinc/07/57/67/466075767.db2.gz BWPDWRIEVSTYMD-UHFFFAOYSA-N 1 2 349.354 2.159 20 30 EEEDLO C=CCCS(=O)(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000371977402 466098887 /nfs/dbraw/zinc/09/88/87/466098887.db2.gz DDCZJQCNVGFGHW-HNNXBMFYSA-N 1 2 335.429 2.014 20 30 EEEDLO Cc1cc(C)c(C#N)c(NC[C@@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000363216146 466287799 /nfs/dbraw/zinc/28/77/99/466287799.db2.gz CJGVJZZKAQDYPZ-KRWDZBQOSA-N 1 2 332.473 2.190 20 30 EEEDLO COc1cc2nc(NCC(C)(C)CCC#N)[nH+]c(N)c2cc1OC ZINC000340897179 466417141 /nfs/dbraw/zinc/41/71/41/466417141.db2.gz LOXKMWTWZWWRNB-UHFFFAOYSA-N 1 2 329.404 2.393 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@H+](CCCNC(=O)C(F)(F)F)CCO2)c1 ZINC000367679555 466487537 /nfs/dbraw/zinc/48/75/37/466487537.db2.gz URZVGVRBKNRFPI-CQSZACIVSA-N 1 2 341.333 2.000 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@@H+](CCCNC(=O)C(F)(F)F)CCO2)c1 ZINC000367679555 466487545 /nfs/dbraw/zinc/48/75/45/466487545.db2.gz URZVGVRBKNRFPI-CQSZACIVSA-N 1 2 341.333 2.000 20 30 EEEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000365105555 466731859 /nfs/dbraw/zinc/73/18/59/466731859.db2.gz AEFQWUCYMWRREN-SFHVURJKSA-N 1 2 330.403 2.041 20 30 EEEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000365105555 466731862 /nfs/dbraw/zinc/73/18/62/466731862.db2.gz AEFQWUCYMWRREN-SFHVURJKSA-N 1 2 330.403 2.041 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411991707 466961685 /nfs/dbraw/zinc/96/16/85/466961685.db2.gz UURVCIOKJDYGBB-HXUWFJFHSA-N 1 2 340.423 2.297 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411991707 466961687 /nfs/dbraw/zinc/96/16/87/466961687.db2.gz UURVCIOKJDYGBB-HXUWFJFHSA-N 1 2 340.423 2.297 20 30 EEEDLO Cc1cc(N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)c(C#N)c[nH+]1 ZINC000425240590 467089809 /nfs/dbraw/zinc/08/98/09/467089809.db2.gz YRKSXZYGUMPSHE-ZIFCJYIRSA-N 1 2 332.407 2.253 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425553639 467109838 /nfs/dbraw/zinc/10/98/38/467109838.db2.gz UAOFMKDAFCDTPM-MZMPZRCHSA-N 1 2 349.862 2.456 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425553639 467109840 /nfs/dbraw/zinc/10/98/40/467109840.db2.gz UAOFMKDAFCDTPM-MZMPZRCHSA-N 1 2 349.862 2.456 20 30 EEEDLO Cc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c(C#N)cc1[N+](=O)[O-] ZINC000413282717 467206339 /nfs/dbraw/zinc/20/63/39/467206339.db2.gz QHDBUFNYUCPKNR-ZFWWWQNUSA-N 1 2 330.388 2.074 20 30 EEEDLO Cc1ccnc(N(CC[NH+]2CCOCC2)Cc2ccco2)c1C#N ZINC000450946753 467212796 /nfs/dbraw/zinc/21/27/96/467212796.db2.gz ZPXLDUCNXBQZDK-UHFFFAOYSA-N 1 2 326.400 2.194 20 30 EEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000413561710 467266630 /nfs/dbraw/zinc/26/66/30/467266630.db2.gz ZLVVEWIEDXPMDK-PKOBYXMFSA-N 1 2 343.471 2.336 20 30 EEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000413561710 467266631 /nfs/dbraw/zinc/26/66/31/467266631.db2.gz ZLVVEWIEDXPMDK-PKOBYXMFSA-N 1 2 343.471 2.336 20 30 EEEDLO CCn1nccc1C[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000429712429 467361245 /nfs/dbraw/zinc/36/12/45/467361245.db2.gz HGYMRSNGLYQYKT-SFHVURJKSA-N 1 2 337.427 2.402 20 30 EEEDLO CCn1nccc1C[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000429712429 467361249 /nfs/dbraw/zinc/36/12/49/467361249.db2.gz HGYMRSNGLYQYKT-SFHVURJKSA-N 1 2 337.427 2.402 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)CSc1ncnc2sc3c(c21)CCC3 ZINC000414089649 467375865 /nfs/dbraw/zinc/37/58/65/467375865.db2.gz AQOQYYCLLWZDBH-NSHDSACASA-N 1 2 348.497 2.478 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1ncnc2sc3c(c21)CCC3 ZINC000414089649 467375869 /nfs/dbraw/zinc/37/58/69/467375869.db2.gz AQOQYYCLLWZDBH-NSHDSACASA-N 1 2 348.497 2.478 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000437470025 467556525 /nfs/dbraw/zinc/55/65/25/467556525.db2.gz FTKUEYPLBBEUKZ-KSZLIROESA-N 1 2 338.492 2.221 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc2c(cccc2F)[nH]1 ZINC000437583196 467556890 /nfs/dbraw/zinc/55/68/90/467556890.db2.gz ZYUBUIVMQIJEOK-UHFFFAOYSA-N 1 2 330.407 2.355 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C/c3cncc(O)c3)CC2)cc1 ZINC000492471989 467647058 /nfs/dbraw/zinc/64/70/58/467647058.db2.gz JBJVZBOAIQULBH-AATRIKPKSA-N 1 2 348.406 2.016 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ncc(C#N)cn3)CC[C@@H]2C1 ZINC000496756220 467711449 /nfs/dbraw/zinc/71/14/49/467711449.db2.gz IOXGLAMDXVLKBW-CABCVRRESA-N 1 2 343.431 2.037 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ncc(C#N)cn3)CC[C@@H]2C1 ZINC000496756220 467711452 /nfs/dbraw/zinc/71/14/52/467711452.db2.gz IOXGLAMDXVLKBW-CABCVRRESA-N 1 2 343.431 2.037 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)CCCC1 ZINC000450121627 467781233 /nfs/dbraw/zinc/78/12/33/467781233.db2.gz XBXONTWZMJKWSU-KRWDZBQOSA-N 1 2 336.476 2.073 20 30 EEEDLO N#Cc1cccc(NC[C@]2([NH+]3CCOCC3)CCSC2)c1[N+](=O)[O-] ZINC000450268730 467813967 /nfs/dbraw/zinc/81/39/67/467813967.db2.gz ILIWTUYUCWWDNJ-MRXNPFEDSA-N 1 2 348.428 2.086 20 30 EEEDLO COC(=O)Nc1cccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000497248082 467904342 /nfs/dbraw/zinc/90/43/42/467904342.db2.gz WJTODSLWOMOKNS-INIZCTEOSA-N 1 2 338.367 2.053 20 30 EEEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)/C=C\c2[nH]cc[nH+]2)ccc1OC ZINC000493623364 467951595 /nfs/dbraw/zinc/95/15/95/467951595.db2.gz UDSPCYMMESNZTD-AFNCTOJWSA-N 1 2 340.383 2.429 20 30 EEEDLO CC(C)(C)OC(=O)N1CCN(Cc2c[nH+]c3ccccn23)[C@H](C#N)C1 ZINC000495689381 468099763 /nfs/dbraw/zinc/09/97/63/468099763.db2.gz SQURACMRKPRTPS-CQSZACIVSA-N 1 2 341.415 2.279 20 30 EEEDLO NC(=[NH+]OC[C@@H]1CNC(=O)O1)c1ccc(OCc2ccccc2)cc1 ZINC000495718541 468101003 /nfs/dbraw/zinc/10/10/03/468101003.db2.gz PEGIUYHZYPCPGG-INIZCTEOSA-N 1 2 341.367 2.011 20 30 EEEDLO CCc1[nH+]c2cc(CNC(=O)c3cnn(C)c3C#N)ccc2n1C1CC1 ZINC000549031376 468166830 /nfs/dbraw/zinc/16/68/30/468166830.db2.gz WCPGMDUNQMYSPB-UHFFFAOYSA-N 1 2 348.410 2.469 20 30 EEEDLO Cc1cc(C[NH+]2CCN(C(=O)/C=C\c3ccc(C#N)cc3)CC2)on1 ZINC000490822959 468254011 /nfs/dbraw/zinc/25/40/11/468254011.db2.gz PWBYNSHXCNCSDP-SREVYHEPSA-N 1 2 336.395 2.212 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1C#N ZINC000591851641 468531395 /nfs/dbraw/zinc/53/13/95/468531395.db2.gz VNJCJTHTRXMHPB-KRWDZBQOSA-N 1 2 347.426 2.481 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](n3ccnn3)C2)c1C#N ZINC000591851641 468531401 /nfs/dbraw/zinc/53/14/01/468531401.db2.gz VNJCJTHTRXMHPB-KRWDZBQOSA-N 1 2 347.426 2.481 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000556523630 468531844 /nfs/dbraw/zinc/53/18/44/468531844.db2.gz LFACCWKTIRNKEE-CVEARBPZSA-N 1 2 330.432 2.215 20 30 EEEDLO Cc1sc2nc([C@H](C)[N@@H+]3CC[C@@](O)(CC#N)C3)nc(N)c2c1C ZINC000592151484 468640071 /nfs/dbraw/zinc/64/00/71/468640071.db2.gz MJXOLMDOBCKLHI-QFYYESIMSA-N 1 2 331.445 2.302 20 30 EEEDLO Cc1sc2nc([C@H](C)[N@H+]3CC[C@@](O)(CC#N)C3)nc(N)c2c1C ZINC000592151484 468640073 /nfs/dbraw/zinc/64/00/73/468640073.db2.gz MJXOLMDOBCKLHI-QFYYESIMSA-N 1 2 331.445 2.302 20 30 EEEDLO N#CCc1ccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(Cl)c1 ZINC000570488611 468644594 /nfs/dbraw/zinc/64/45/94/468644594.db2.gz ALIMXGMQGXTDOD-OKILXGFUSA-N 1 2 348.834 2.391 20 30 EEEDLO N#CCc1ccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(Cl)c1 ZINC000570488611 468644599 /nfs/dbraw/zinc/64/45/99/468644599.db2.gz ALIMXGMQGXTDOD-OKILXGFUSA-N 1 2 348.834 2.391 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ncc4ccccn43)CC2)cc1 ZINC000600945531 468692676 /nfs/dbraw/zinc/69/26/76/468692676.db2.gz LKCNQADTASNMCX-UHFFFAOYSA-N 1 2 345.406 2.164 20 30 EEEDLO C=CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](C)COC ZINC000597952698 468723107 /nfs/dbraw/zinc/72/31/07/468723107.db2.gz VOZTUDBPQMPKDQ-CYBMUJFWSA-N 1 2 344.371 2.444 20 30 EEEDLO N#Cc1ccccc1N1CC[NH+]([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000595301088 468805387 /nfs/dbraw/zinc/80/53/87/468805387.db2.gz IMKNTHUUPVJHGR-HHXXYDBFSA-N 1 2 338.455 2.128 20 30 EEEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)sn1 ZINC000595301355 468806879 /nfs/dbraw/zinc/80/68/79/468806879.db2.gz JBKUPLYZAUJTBY-UHFFFAOYSA-N 1 2 332.404 2.485 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cc(F)ccc1Br ZINC000572044328 468877085 /nfs/dbraw/zinc/87/70/85/468877085.db2.gz DMXASFIMAXQDKK-AWEZNQCLSA-N 1 2 342.212 2.091 20 30 EEEDLO CC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H](C)C(=O)OC(C)(C)C ZINC000595603525 468919208 /nfs/dbraw/zinc/91/92/08/468919208.db2.gz NZPAHFJLPUXSCE-HOCLYGCPSA-N 1 2 348.443 2.350 20 30 EEEDLO CC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H](C)C(=O)OC(C)(C)C ZINC000595603525 468919211 /nfs/dbraw/zinc/91/92/11/468919211.db2.gz NZPAHFJLPUXSCE-HOCLYGCPSA-N 1 2 348.443 2.350 20 30 EEEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000595613144 468922356 /nfs/dbraw/zinc/92/23/56/468922356.db2.gz AAQJSQNBDCSTFC-LLVKDONJSA-N 1 2 337.221 2.408 20 30 EEEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000595613144 468922362 /nfs/dbraw/zinc/92/23/62/468922362.db2.gz AAQJSQNBDCSTFC-LLVKDONJSA-N 1 2 337.221 2.408 20 30 EEEDLO N#Cc1sccc1N1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000595632310 468931965 /nfs/dbraw/zinc/93/19/65/468931965.db2.gz NDRCSIHAZJIDKL-UHFFFAOYSA-N 1 2 326.425 2.041 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)s1 ZINC000601729021 468989202 /nfs/dbraw/zinc/98/92/02/468989202.db2.gz PCTULEKNKWPHRA-UHFFFAOYSA-N 1 2 327.409 2.283 20 30 EEEDLO N#Cc1ccc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)cn1 ZINC000610541726 468998425 /nfs/dbraw/zinc/99/84/25/468998425.db2.gz YVXNOXZFZNGTEU-SFHVURJKSA-N 1 2 342.830 2.462 20 30 EEEDLO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[NH2+][C@@H](C)CC#N ZINC000602860954 469125961 /nfs/dbraw/zinc/12/59/61/469125961.db2.gz FARWOVMMWCRJQE-HNNXBMFYSA-N 1 2 330.432 2.064 20 30 EEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000602866200 469129526 /nfs/dbraw/zinc/12/95/26/469129526.db2.gz ZBVDXBXOMSJXNV-HOCLYGCPSA-N 1 2 343.427 2.403 20 30 EEEDLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611175929 469181880 /nfs/dbraw/zinc/18/18/80/469181880.db2.gz PAJIHUZNNJJAFO-DLBZAZTESA-N 1 2 328.460 2.092 20 30 EEEDLO Cc1ccc([C@H](NC(=O)C[NH+]2CCN(CCC#N)CC2)C2CC2)cc1 ZINC000611175260 469182321 /nfs/dbraw/zinc/18/23/21/469182321.db2.gz WGHCWISORAYRRT-FQEVSTJZSA-N 1 2 340.471 2.094 20 30 EEEDLO Cc1nc(NCc2cccc(C(=O)N[C@@H]3CC[C@H](C#N)C3)c2)cc[nH+]1 ZINC000564875626 469261466 /nfs/dbraw/zinc/26/14/66/469261466.db2.gz DULMLSUIBJPISS-WMLDXEAASA-N 1 2 335.411 2.819 20 30 EEEDLO C[C@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1cccc(C#N)c1 ZINC000596437494 469265676 /nfs/dbraw/zinc/26/56/76/469265676.db2.gz OPZQNZBUHRMFQI-KFWWJZLASA-N 1 2 330.432 2.028 20 30 EEEDLO C[C@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1cccc(C#N)c1 ZINC000596437494 469265679 /nfs/dbraw/zinc/26/56/79/469265679.db2.gz OPZQNZBUHRMFQI-KFWWJZLASA-N 1 2 330.432 2.028 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(CO)cc3)CC2)cc1 ZINC000603448164 469396303 /nfs/dbraw/zinc/39/63/03/469396303.db2.gz OTLYOBXAXGXKCU-UHFFFAOYSA-N 1 2 335.407 2.009 20 30 EEEDLO C[C@@H](NC(=O)c1cc2ccccc2n1CC#N)[C@@H](C)[NH+]1CCOCC1 ZINC000609191903 469900918 /nfs/dbraw/zinc/90/09/18/469900918.db2.gz MKXPPLJFKRNTJK-HUUCEWRRSA-N 1 2 340.427 2.004 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N(C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000609537963 469937130 /nfs/dbraw/zinc/93/71/30/469937130.db2.gz GNLQKZVCNBITDK-KURKYZTESA-N 1 2 334.508 2.189 20 30 EEEDLO COc1cccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 ZINC000609577986 469942351 /nfs/dbraw/zinc/94/23/51/469942351.db2.gz BZBINEXLBDJGSZ-UHFFFAOYSA-N 1 2 339.399 2.149 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nnc(-c3cccs3)o2)nn1 ZINC000640859670 471073926 /nfs/dbraw/zinc/07/39/26/471073926.db2.gz KONUQUDFXFVOOU-LLVKDONJSA-N 1 2 328.401 2.112 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2cccc(SC)c2)nn1 ZINC000640903504 471107587 /nfs/dbraw/zinc/10/75/87/471107587.db2.gz NPGLWQRVIIRDSM-CYBMUJFWSA-N 1 2 343.456 2.313 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccccc2CC)nn1 ZINC000640915188 471116792 /nfs/dbraw/zinc/11/67/92/471116792.db2.gz UANUIZSECXIJTF-CQSZACIVSA-N 1 2 325.416 2.153 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccc(SC)cc2)nn1 ZINC000640921594 471121802 /nfs/dbraw/zinc/12/18/02/471121802.db2.gz VYKHVZLORRNUKJ-CYBMUJFWSA-N 1 2 343.456 2.313 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)o2)C1)OCC ZINC000677319198 486413561 /nfs/dbraw/zinc/41/35/61/486413561.db2.gz RVQJMOUQFPCGBX-JKSUJKDBSA-N 1 2 335.448 2.387 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1)OCC ZINC000677319198 486413564 /nfs/dbraw/zinc/41/35/64/486413564.db2.gz RVQJMOUQFPCGBX-JKSUJKDBSA-N 1 2 335.448 2.387 20 30 EEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378067910 526905559 /nfs/dbraw/zinc/90/55/59/526905559.db2.gz JBIZDBPIDSVXNV-HNNXBMFYSA-N 1 2 326.375 2.251 20 30 EEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378067910 526905564 /nfs/dbraw/zinc/90/55/64/526905564.db2.gz JBIZDBPIDSVXNV-HNNXBMFYSA-N 1 2 326.375 2.251 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000171907116 526941925 /nfs/dbraw/zinc/94/19/25/526941925.db2.gz ZUJIGHHLSQNWBZ-UHFFFAOYSA-N 1 2 347.459 2.161 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000171907116 526941934 /nfs/dbraw/zinc/94/19/34/526941934.db2.gz ZUJIGHHLSQNWBZ-UHFFFAOYSA-N 1 2 347.459 2.161 20 30 EEEDLO C#CCOc1ccccc1C[NH+]1CCN(C(=O)c2cccnc2)CC1 ZINC000179493650 527125587 /nfs/dbraw/zinc/12/55/87/527125587.db2.gz VZLUFOAZSSYEAZ-UHFFFAOYSA-N 1 2 335.407 2.052 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000292044546 527614229 /nfs/dbraw/zinc/61/42/29/527614229.db2.gz AJXZZUHLBPEAFX-IYBDPMFKSA-N 1 2 335.492 2.154 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000292044546 527614232 /nfs/dbraw/zinc/61/42/32/527614232.db2.gz AJXZZUHLBPEAFX-IYBDPMFKSA-N 1 2 335.492 2.154 20 30 EEEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245898902 536877711 /nfs/dbraw/zinc/87/77/11/536877711.db2.gz KWMGVULSEBSROI-NVXWUHKLSA-N 1 2 336.457 2.354 20 30 EEEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245898902 536877714 /nfs/dbraw/zinc/87/77/14/536877714.db2.gz KWMGVULSEBSROI-NVXWUHKLSA-N 1 2 336.457 2.354 20 30 EEEDLO C=CC[N@H+](CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)C(C)C ZINC000725769976 576019957 /nfs/dbraw/zinc/01/99/57/576019957.db2.gz ODLQEKCWYXBHQT-GOSISDBHSA-N 1 2 326.400 2.179 20 30 EEEDLO C=CC[N@@H+](CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)C(C)C ZINC000725769976 576019960 /nfs/dbraw/zinc/01/99/60/576019960.db2.gz ODLQEKCWYXBHQT-GOSISDBHSA-N 1 2 326.400 2.179 20 30 EEEDLO C=CC[N@@H+](CN1C(=O)N[C@](C)(Cc2ccc(OC)cc2)C1=O)C1CC1 ZINC000771640980 577223095 /nfs/dbraw/zinc/22/30/95/577223095.db2.gz LDQXTLIZIANYBT-LJQANCHMSA-N 1 2 343.427 2.156 20 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/nfs/dbraw/zinc/62/29/23/577622923.db2.gz WKMZLZVUHXXWEW-UHFFFAOYSA-N 1 2 348.497 2.032 20 30 EEEDLO Brc1cncc(C=NNc2ccc(-n3cc[nH+]c3)nn2)c1 ZINC000761854397 577690117 /nfs/dbraw/zinc/69/01/17/577690117.db2.gz DLTKDTJIDQPCGC-UHFFFAOYSA-N 1 2 344.176 2.266 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)OCC)c(C#N)c1 ZINC000752193416 577767208 /nfs/dbraw/zinc/76/72/08/577767208.db2.gz FHBRDNVRDVDRPA-INIZCTEOSA-N 1 2 340.383 2.163 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)OCC)c(C#N)c1 ZINC000752193416 577767209 /nfs/dbraw/zinc/76/72/09/577767209.db2.gz FHBRDNVRDVDRPA-INIZCTEOSA-N 1 2 340.383 2.163 20 30 EEEDLO C#CCSCCNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000755392953 577824608 /nfs/dbraw/zinc/82/46/08/577824608.db2.gz OCODIHRFOWJDTI-UHFFFAOYSA-N 1 2 340.452 2.493 20 30 EEEDLO Cn1c[nH+]cc1C=NN1C(=S)N=NC1SCc1ccccc1 ZINC000755589907 577827389 /nfs/dbraw/zinc/82/73/89/577827389.db2.gz GNGJBOCIZDXXLW-UHFFFAOYSA-N 1 2 330.442 2.475 20 30 EEEDLO CCCNC(=S)NN=C(C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735611832 578161376 /nfs/dbraw/zinc/16/13/76/578161376.db2.gz DTBVNINVQHSZHD-INIZCTEOSA-N 1 2 334.489 2.137 20 30 EEEDLO CCCNC(=S)NN=C(C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735611832 578161377 /nfs/dbraw/zinc/16/13/77/578161377.db2.gz DTBVNINVQHSZHD-INIZCTEOSA-N 1 2 334.489 2.137 20 30 EEEDLO Cc1cc(C(=O)N[C@H](C)C2C[NH+](Cc3ccc(F)c(C#N)c3)C2)on1 ZINC000969269623 674771948 /nfs/dbraw/zinc/77/19/48/674771948.db2.gz JIEMTSNJKRFVGD-GFCCVEGCSA-N 1 2 342.374 2.244 20 30 EEEDLO Oc1ccc(/C=N\C[C@@H](c2ccccc2)[NH+]2CCOCC2)c(O)c1O ZINC000254917451 674941032 /nfs/dbraw/zinc/94/10/32/674941032.db2.gz WPIRTKWOOAANRC-DEFALTHMSA-N 1 2 342.395 2.296 20 30 EEEDLO CC(C)c1ocnc1C[NH+]1CC([C@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000969513732 675085150 /nfs/dbraw/zinc/08/51/50/675085150.db2.gz GLACJOQKVCDUPC-LBPRGKRZSA-N 1 2 341.415 2.248 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC000970446468 675901573 /nfs/dbraw/zinc/90/15/73/675901573.db2.gz FJUILSIGBLLMOK-WQVCFCJDSA-N 1 2 349.862 2.263 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccncc2Cl)C1 ZINC000970447155 675901750 /nfs/dbraw/zinc/90/17/50/675901750.db2.gz NRANWGTZPSZSHB-MJEQTWJJSA-N 1 2 349.862 2.263 20 30 EEEDLO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001067450478 676230716 /nfs/dbraw/zinc/23/07/16/676230716.db2.gz UAZCKRVLBRPTTB-INIZCTEOSA-N 1 2 334.464 2.497 20 30 EEEDLO C[C@@H](NC(=O)c1cc(Cl)no1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970776629 676144734 /nfs/dbraw/zinc/14/47/34/676144734.db2.gz HHNYWGIALPDBGY-LLVKDONJSA-N 1 2 344.802 2.450 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C(C)C)o2)C1 ZINC000970242382 675746894 /nfs/dbraw/zinc/74/68/94/675746894.db2.gz XJJWBMHEKNZNJZ-VKJFTORMSA-N 1 2 347.459 2.470 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ncoc2[C@H]2CCCO2)C1 ZINC000970264399 675754505 /nfs/dbraw/zinc/75/45/05/675754505.db2.gz HVZCGYWLKIITLK-DGCLKSJQSA-N 1 2 339.823 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/nfs/dbraw/zinc/97/32/23/1187973223.db2.gz FSYZFFKMWSRXSO-UHFFFAOYSA-N 1 2 348.410 2.034 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)c1ccc2[nH]nnc2c1 ZINC001272171815 1187973226 /nfs/dbraw/zinc/97/32/26/1187973226.db2.gz FSYZFFKMWSRXSO-UHFFFAOYSA-N 1 2 348.410 2.034 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(CC(F)F)nc2C)[C@H]1C ZINC001088643271 1188032962 /nfs/dbraw/zinc/03/29/62/1188032962.db2.gz AQHMJDZGUONTCU-YPMHNXCESA-N 1 2 346.809 2.402 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC(F)F)nc2C)[C@H]1C ZINC001088643271 1188032967 /nfs/dbraw/zinc/03/29/67/1188032967.db2.gz AQHMJDZGUONTCU-YPMHNXCESA-N 1 2 346.809 2.402 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCN(C)c1nc(C)[nH+]c(C)c1C ZINC001105586001 1188199099 /nfs/dbraw/zinc/19/90/99/1188199099.db2.gz CZMRJRFKVCCMHW-IRXDYDNUSA-N 1 2 346.475 2.278 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001111604959 1188236716 /nfs/dbraw/zinc/23/67/16/1188236716.db2.gz JOJHZJFCINVIQY-ZBFHGGJFSA-N 1 2 332.448 2.417 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2ncc3cc(C)cnc32)[C@H]1C ZINC001088751611 1188429227 /nfs/dbraw/zinc/42/92/27/1188429227.db2.gz WROJAOQWSNCDIR-HIFRSBDPSA-N 1 2 347.850 2.071 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2ncc3cc(C)cnc32)[C@H]1C ZINC001088751611 1188429228 /nfs/dbraw/zinc/42/92/28/1188429228.db2.gz WROJAOQWSNCDIR-HIFRSBDPSA-N 1 2 347.850 2.071 20 30 EEEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cnc(CCCC)[nH]1)CC2 ZINC001272834377 1193570584 /nfs/dbraw/zinc/57/05/84/1193570584.db2.gz XMTJQMJAHPOQFB-MRXNPFEDSA-N 1 2 328.460 2.104 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCC2CC2)cc1C#N ZINC001272261687 1189570451 /nfs/dbraw/zinc/57/04/51/1189570451.db2.gz MPKQKHOVHJGRIM-CALCHBBNSA-N 1 2 326.444 2.262 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCC2CC2)cc1C#N ZINC001272261687 1189570454 /nfs/dbraw/zinc/57/04/54/1189570454.db2.gz MPKQKHOVHJGRIM-CALCHBBNSA-N 1 2 326.444 2.262 20 30 EEEDLO Cc1[nH]nc(Cl)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001014673989 1224160616 /nfs/dbraw/zinc/16/06/16/1224160616.db2.gz OUOHRXCKQDOLSW-JTQLQIEISA-N 1 2 349.847 2.309 20 30 EEEDLO Cc1[nH]nc(Cl)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001014673989 1224160619 /nfs/dbraw/zinc/16/06/19/1224160619.db2.gz OUOHRXCKQDOLSW-JTQLQIEISA-N 1 2 349.847 2.309 20 30 EEEDLO Cc1cc(C[NH2+]Cc2ccc(CNC(=O)[C@H](C)C#N)c(F)c2)no1 ZINC001486522620 1194045041 /nfs/dbraw/zinc/04/50/41/1194045041.db2.gz HRRUBIZBSYDHTD-LLVKDONJSA-N 1 2 330.363 2.188 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(F)cc1F)C2 ZINC001272974321 1194283791 /nfs/dbraw/zinc/28/37/91/1194283791.db2.gz OIZNRBXJBXUQFL-SFHVURJKSA-N 1 2 336.382 2.202 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(F)cc1F)C2 ZINC001272974321 1194283793 /nfs/dbraw/zinc/28/37/93/1194283793.db2.gz OIZNRBXJBXUQFL-SFHVURJKSA-N 1 2 336.382 2.202 20 30 EEEDLO C=C(C)CN1CC2(C[NH+](Cc3c[nH]c4cccc(C)c34)C2)OCC1=O ZINC001273005675 1194311455 /nfs/dbraw/zinc/31/14/55/1194311455.db2.gz LBYRPGXPCTUMDN-UHFFFAOYSA-N 1 2 339.439 2.466 20 30 EEEDLO Cc1nocc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033377904 1194503812 /nfs/dbraw/zinc/50/38/12/1194503812.db2.gz DWEKDISOIXLXNW-OAHLLOKOSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1nocc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033377904 1194503815 /nfs/dbraw/zinc/50/38/15/1194503815.db2.gz DWEKDISOIXLXNW-OAHLLOKOSA-N 1 2 342.374 2.340 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001033500204 1194651139 /nfs/dbraw/zinc/65/11/39/1194651139.db2.gz XVNNYDAZXIKGNE-ULQDDVLXSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001033500204 1194651140 /nfs/dbraw/zinc/65/11/40/1194651140.db2.gz XVNNYDAZXIKGNE-ULQDDVLXSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ncoc2-c2ccon2)C1 ZINC001033589265 1194918080 /nfs/dbraw/zinc/91/80/80/1194918080.db2.gz QFOIGNHATJLAPL-NSHDSACASA-N 1 2 336.779 2.228 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ncoc2-c2ccon2)C1 ZINC001033589265 1194918082 /nfs/dbraw/zinc/91/80/82/1194918082.db2.gz QFOIGNHATJLAPL-NSHDSACASA-N 1 2 336.779 2.228 20 30 EEEDLO CCN(C(=O)c1cnns1)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033760749 1195195601 /nfs/dbraw/zinc/19/56/01/1195195601.db2.gz VGJHPNRDLAPLTC-LLVKDONJSA-N 1 2 347.469 2.208 20 30 EEEDLO CCN(C(=O)c1cnns1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033760749 1195195603 /nfs/dbraw/zinc/19/56/03/1195195603.db2.gz VGJHPNRDLAPLTC-LLVKDONJSA-N 1 2 347.469 2.208 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCCO2)C1 ZINC001033792259 1195277907 /nfs/dbraw/zinc/27/79/07/1195277907.db2.gz OMEUYEYLWNJQGG-ZIAGYGMSSA-N 1 2 345.281 2.387 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCCO2)C1 ZINC001033792259 1195277910 /nfs/dbraw/zinc/27/79/10/1195277910.db2.gz OMEUYEYLWNJQGG-ZIAGYGMSSA-N 1 2 345.281 2.387 20 30 EEEDLO COc1cc(C)cnc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001014764752 1224310581 /nfs/dbraw/zinc/31/05/81/1224310581.db2.gz RVYGBVWIXBWNCQ-SFHVURJKSA-N 1 2 349.434 2.254 20 30 EEEDLO COc1cc(C)cnc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001014764752 1224310589 /nfs/dbraw/zinc/31/05/89/1224310589.db2.gz RVYGBVWIXBWNCQ-SFHVURJKSA-N 1 2 349.434 2.254 20 30 EEEDLO C=CCCn1cc(C(=O)N[C@H]2CCCC[N@@H+](CC(=C)Cl)C2)nn1 ZINC001034433113 1196228494 /nfs/dbraw/zinc/22/84/94/1196228494.db2.gz NAMREOACXDVANZ-AWEZNQCLSA-N 1 2 337.855 2.191 20 30 EEEDLO C=CCCn1cc(C(=O)N[C@H]2CCCC[N@H+](CC(=C)Cl)C2)nn1 ZINC001034433113 1196228498 /nfs/dbraw/zinc/22/84/98/1196228498.db2.gz NAMREOACXDVANZ-AWEZNQCLSA-N 1 2 337.855 2.191 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccn(C(C)C)c2C)C1 ZINC001108152692 1196683937 /nfs/dbraw/zinc/68/39/37/1196683937.db2.gz FNHXQSGMQDRPFG-LJQANCHMSA-N 1 2 331.460 2.221 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccn(C(C)C)c2C)C1 ZINC001108152692 1196683940 /nfs/dbraw/zinc/68/39/40/1196683940.db2.gz FNHXQSGMQDRPFG-LJQANCHMSA-N 1 2 331.460 2.221 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001108160578 1196745842 /nfs/dbraw/zinc/74/58/42/1196745842.db2.gz OSVAXBGPJRUPKC-ZBFHGGJFSA-N 1 2 328.403 2.042 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001108160578 1196745844 /nfs/dbraw/zinc/74/58/44/1196745844.db2.gz OSVAXBGPJRUPKC-ZBFHGGJFSA-N 1 2 328.403 2.042 20 30 EEEDLO C[C@@H](C[C@H](C)[NH2+]CC(F)(F)C(F)F)NC(=O)c1ccc(C#N)[nH]1 ZINC001134156555 1199363943 /nfs/dbraw/zinc/36/39/43/1199363943.db2.gz MJYHNARAKOHAFQ-IUCAKERBSA-N 1 2 334.317 2.273 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2noc3c2COCC3)C1 ZINC001132228330 1199469410 /nfs/dbraw/zinc/46/94/10/1199469410.db2.gz PDRIXPQCWIDUMR-ZIAGYGMSSA-N 1 2 347.459 2.429 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2noc3c2COCC3)C1 ZINC001132228330 1199469413 /nfs/dbraw/zinc/46/94/13/1199469413.db2.gz PDRIXPQCWIDUMR-ZIAGYGMSSA-N 1 2 347.459 2.429 20 30 EEEDLO C#CC[C@@H](CCOC)NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000876073536 1199493551 /nfs/dbraw/zinc/49/35/51/1199493551.db2.gz QZWNPBGEXVUIPH-ZWKOTPCHSA-N 1 2 346.496 2.321 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCc2ccco2)C1 ZINC001132257067 1199496403 /nfs/dbraw/zinc/49/64/03/1199496403.db2.gz SWHAJGARCKCZIV-JKSUJKDBSA-N 1 2 347.459 2.221 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCc2ccco2)C1 ZINC001132257067 1199496406 /nfs/dbraw/zinc/49/64/06/1199496406.db2.gz SWHAJGARCKCZIV-JKSUJKDBSA-N 1 2 347.459 2.221 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(-c2ccc(C)cc2)no1 ZINC001132395776 1199652558 /nfs/dbraw/zinc/65/25/58/1199652558.db2.gz ORWVWRJJCGDWOA-UHFFFAOYSA-N 1 2 328.416 2.463 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2cc(C)c(C)s2)CC[C@H]1C ZINC001132463168 1199750318 /nfs/dbraw/zinc/75/03/18/1199750318.db2.gz CLZLKFJGWCSXMM-HIFRSBDPSA-N 1 2 349.500 2.250 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(C)s2)CC[C@H]1C ZINC001132463168 1199750322 /nfs/dbraw/zinc/75/03/22/1199750322.db2.gz CLZLKFJGWCSXMM-HIFRSBDPSA-N 1 2 349.500 2.250 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCCCNC(C)=O)CC[C@H]1C ZINC001132472869 1199762041 /nfs/dbraw/zinc/76/20/41/1199762041.db2.gz NLVPNTBTHZWUKK-GDBMZVCRSA-N 1 2 343.899 2.405 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCCCNC(C)=O)CC[C@H]1C ZINC001132472869 1199762045 /nfs/dbraw/zinc/76/20/45/1199762045.db2.gz NLVPNTBTHZWUKK-GDBMZVCRSA-N 1 2 343.899 2.405 20 30 EEEDLO C=CCC(F)(F)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000814979151 1199817822 /nfs/dbraw/zinc/81/78/22/1199817822.db2.gz JMTYROOWKXIAOF-UHFFFAOYSA-N 1 2 337.370 2.224 20 30 EEEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000877981075 1200197040 /nfs/dbraw/zinc/19/70/40/1200197040.db2.gz PKPDHUVJBIPQON-CQSZACIVSA-N 1 2 336.823 2.444 20 30 EEEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000877981075 1200197041 /nfs/dbraw/zinc/19/70/41/1200197041.db2.gz PKPDHUVJBIPQON-CQSZACIVSA-N 1 2 336.823 2.444 20 30 EEEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000811732154 1200274537 /nfs/dbraw/zinc/27/45/37/1200274537.db2.gz NHOSDZOYSZUAKZ-IRXDYDNUSA-N 1 2 327.428 2.364 20 30 EEEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000811732154 1200274543 /nfs/dbraw/zinc/27/45/43/1200274543.db2.gz NHOSDZOYSZUAKZ-IRXDYDNUSA-N 1 2 327.428 2.364 20 30 EEEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000812044470 1200477953 /nfs/dbraw/zinc/47/79/53/1200477953.db2.gz JSJBPZPPKDNJHV-MRXNPFEDSA-N 1 2 339.399 2.289 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@H](C)C[C@H]1C(N)=O)c1ccccc1 ZINC000878467398 1200487867 /nfs/dbraw/zinc/48/78/67/1200487867.db2.gz WKTDVKUJUDZCHG-UCLAIMLFSA-N 1 2 327.428 2.013 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O)c1ccccc1 ZINC000878467398 1200487873 /nfs/dbraw/zinc/48/78/73/1200487873.db2.gz WKTDVKUJUDZCHG-UCLAIMLFSA-N 1 2 327.428 2.013 20 30 EEEDLO N#CCc1ccccc1CC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000870133949 1200493846 /nfs/dbraw/zinc/49/38/46/1200493846.db2.gz HBIGHAORCSFOCX-UHFFFAOYSA-N 1 2 349.434 2.345 20 30 EEEDLO COCC[C@H]1COCC[N@@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878638134 1200590023 /nfs/dbraw/zinc/59/00/23/1200590023.db2.gz YRPRURASOBXODN-OALUTQOASA-N 1 2 330.428 2.164 20 30 EEEDLO COCC[C@H]1COCC[N@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878638134 1200590031 /nfs/dbraw/zinc/59/00/31/1200590031.db2.gz YRPRURASOBXODN-OALUTQOASA-N 1 2 330.428 2.164 20 30 EEEDLO C#Cc1cccc(NC(=S)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000795134067 1200758322 /nfs/dbraw/zinc/75/83/22/1200758322.db2.gz YAPMXIZQBVWTPL-YOEHRIQHSA-N 1 2 329.469 2.160 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)C(C)(C)C(=C)C)C2)CC1 ZINC001018366240 1224649934 /nfs/dbraw/zinc/64/99/34/1224649934.db2.gz BUWZLIKTDJOPGC-KRWDZBQOSA-N 1 2 347.503 2.158 20 30 EEEDLO Cc1ccnc(C(N)=NOCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000883053769 1202003885 /nfs/dbraw/zinc/00/38/85/1202003885.db2.gz KXEAHXKMEACRLN-UHFFFAOYSA-N 1 2 340.427 2.059 20 30 EEEDLO N#CCC[NH+]1CCC2(C[C@@H]2C(=O)NCc2nc3ccccc3[nH]2)CC1 ZINC001274031110 1204336907 /nfs/dbraw/zinc/33/69/07/1204336907.db2.gz HVAZOBPFOLXBBK-CQSZACIVSA-N 1 2 337.427 2.195 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)c[nH]2)C1 ZINC001015160274 1224838210 /nfs/dbraw/zinc/83/82/10/1224838210.db2.gz JSTHRXJGKMTSSD-JTQLQIEISA-N 1 2 332.629 2.334 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(Br)c[nH]2)C1 ZINC001015160274 1224838216 /nfs/dbraw/zinc/83/82/16/1224838216.db2.gz JSTHRXJGKMTSSD-JTQLQIEISA-N 1 2 332.629 2.334 20 30 EEEDLO CCc1cccc(C)c1C[NH+]1CC2(C1)CN(CCCC#N)C(=O)CO2 ZINC001274227940 1204901888 /nfs/dbraw/zinc/90/18/88/1204901888.db2.gz NFGVECVRNCYIAB-UHFFFAOYSA-N 1 2 341.455 2.274 20 30 EEEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1nccnc1Cl)CC2 ZINC001274443009 1205039856 /nfs/dbraw/zinc/03/98/56/1205039856.db2.gz BYMMDHHUKUKMNH-CYBMUJFWSA-N 1 2 334.851 2.424 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cnc(OCC)c(F)c1 ZINC001274469971 1205049271 /nfs/dbraw/zinc/04/92/71/1205049271.db2.gz GCTGRHVBOIGXDL-LJQANCHMSA-N 1 2 345.418 2.210 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cnc(OCC)c(F)c1 ZINC001274469971 1205049273 /nfs/dbraw/zinc/04/92/73/1205049273.db2.gz GCTGRHVBOIGXDL-LJQANCHMSA-N 1 2 345.418 2.210 20 30 EEEDLO N#Cc1cc[nH]c1C[N@H+]1CCCC[C@]12CC(=O)N(Cc1cnoc1)C2 ZINC001274854752 1205187675 /nfs/dbraw/zinc/18/76/75/1205187675.db2.gz GGLYTEHWQSPOMG-GOSISDBHSA-N 1 2 339.399 2.032 20 30 EEEDLO N#Cc1cc[nH]c1C[N@@H+]1CCCC[C@]12CC(=O)N(Cc1cnoc1)C2 ZINC001274854752 1205187677 /nfs/dbraw/zinc/18/76/77/1205187677.db2.gz GGLYTEHWQSPOMG-GOSISDBHSA-N 1 2 339.399 2.032 20 30 EEEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1[nH]ccc1C#N ZINC001274854404 1205187948 /nfs/dbraw/zinc/18/79/48/1205187948.db2.gz IPFYFNWUCXVOOU-SFHVURJKSA-N 1 2 325.416 2.147 20 30 EEEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1[nH]ccc1C#N ZINC001274854404 1205187950 /nfs/dbraw/zinc/18/79/50/1205187950.db2.gz IPFYFNWUCXVOOU-SFHVURJKSA-N 1 2 325.416 2.147 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3Cc2ccc[nH]2)c1 ZINC001275357469 1205319393 /nfs/dbraw/zinc/31/93/93/1205319393.db2.gz GPAJFJYAZDYFFW-HDICACEKSA-N 1 2 340.402 2.111 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3COC[C@H](C2)N3Cc2ccc[nH]2)c1 ZINC001275357469 1205319396 /nfs/dbraw/zinc/31/93/96/1205319396.db2.gz GPAJFJYAZDYFFW-HDICACEKSA-N 1 2 340.402 2.111 20 30 EEEDLO N#Cc1cc(Cl)cc(C(=O)N2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)c1 ZINC001275773290 1205520522 /nfs/dbraw/zinc/52/05/22/1205520522.db2.gz IFGNNNLKOYVKMR-UHFFFAOYSA-N 1 2 340.814 2.498 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ccc(C(F)F)n1)C2 ZINC001095514302 1205848847 /nfs/dbraw/zinc/84/88/47/1205848847.db2.gz JIMGEEMSGRREOW-WXHSDQCUSA-N 1 2 344.793 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ccc(C(F)F)n1)C2 ZINC001095514302 1205848848 /nfs/dbraw/zinc/84/88/48/1205848848.db2.gz JIMGEEMSGRREOW-WXHSDQCUSA-N 1 2 344.793 2.295 20 30 EEEDLO Cc1cc(N(C)CCCNC(=O)c2cc(C#N)c[nH]2)nc(C(C)C)[nH+]1 ZINC001095524969 1205856572 /nfs/dbraw/zinc/85/65/72/1205856572.db2.gz VXOBLVHRASXQIZ-UHFFFAOYSA-N 1 2 340.431 2.365 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(OC)nc1C ZINC001110897759 1206056311 /nfs/dbraw/zinc/05/63/11/1206056311.db2.gz VZYOCIWTEWRPQE-OAGGEKHMSA-N 1 2 344.459 2.227 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(OC)nc1C ZINC001110897759 1206056313 /nfs/dbraw/zinc/05/63/13/1206056313.db2.gz VZYOCIWTEWRPQE-OAGGEKHMSA-N 1 2 344.459 2.227 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)(C)C ZINC001110929021 1206297108 /nfs/dbraw/zinc/29/71/08/1206297108.db2.gz OWYPDBJKMXUPSV-ZACQAIPSSA-N 1 2 347.503 2.064 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)(C)C ZINC001110929021 1206297109 /nfs/dbraw/zinc/29/71/09/1206297109.db2.gz OWYPDBJKMXUPSV-ZACQAIPSSA-N 1 2 347.503 2.064 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)c(OC)co1 ZINC001110966980 1206467910 /nfs/dbraw/zinc/46/79/10/1206467910.db2.gz MXHKKERTHAPUOG-BMFZPTHFSA-N 1 2 346.427 2.226 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(=O)c(OC)co1 ZINC001110966980 1206467911 /nfs/dbraw/zinc/46/79/11/1206467911.db2.gz MXHKKERTHAPUOG-BMFZPTHFSA-N 1 2 346.427 2.226 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@]1(O)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001111119480 1208269265 /nfs/dbraw/zinc/26/92/65/1208269265.db2.gz HJIPXEFGEAVRCU-LPHOPBHVSA-N 1 2 346.475 2.062 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@]1(O)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001111120317 1208269504 /nfs/dbraw/zinc/26/95/04/1208269504.db2.gz SMFOFULCWNNKMK-BFUOFWGJSA-N 1 2 346.475 2.062 20 30 EEEDLO C=C(C)CCC(=O)N(CCO)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001111511981 1208394065 /nfs/dbraw/zinc/39/40/65/1208394065.db2.gz OQJARWJWRWMBNP-UHFFFAOYSA-N 1 2 334.464 2.498 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ocnc2C)C[C@@H]1C ZINC000947174061 1208401772 /nfs/dbraw/zinc/40/17/72/1208401772.db2.gz DTGOWTMXAOFKMB-CMPLNLGQSA-N 1 2 342.237 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ocnc2C)C[C@@H]1C ZINC000947174061 1208401775 /nfs/dbraw/zinc/40/17/75/1208401775.db2.gz DTGOWTMXAOFKMB-CMPLNLGQSA-N 1 2 342.237 2.474 20 30 EEEDLO Cc1nc(N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@H](C)C#N)C3)c(C)c(C)[nH+]1 ZINC001111263691 1208507680 /nfs/dbraw/zinc/50/76/80/1208507680.db2.gz CCTMWXWAHLGWJX-KLWIRTJPSA-N 1 2 341.459 2.425 20 30 EEEDLO C#CCOCCC(=O)N1CCCC[C@H]1[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001095799716 1208530734 /nfs/dbraw/zinc/53/07/34/1208530734.db2.gz HCXHGBAHPHXKRB-HOCLYGCPSA-N 1 2 330.432 2.006 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3nnc(C)[nH]3)CC2)C1 ZINC000948753545 1209348722 /nfs/dbraw/zinc/34/87/22/1209348722.db2.gz NCKJIZSPSAGXDX-OAHLLOKOSA-N 1 2 331.464 2.282 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3nnc(C)[nH]3)CC2)C1 ZINC000948753545 1209348724 /nfs/dbraw/zinc/34/87/24/1209348724.db2.gz NCKJIZSPSAGXDX-OAHLLOKOSA-N 1 2 331.464 2.282 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000076835012 1209407100 /nfs/dbraw/zinc/40/71/00/1209407100.db2.gz IIVJBXWYLGRKJO-UHFFFAOYSA-N 1 2 331.416 2.490 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1coc(OCC)n1 ZINC000948935276 1209462195 /nfs/dbraw/zinc/46/21/95/1209462195.db2.gz DPZRFKKEZHOPFO-QGZVFWFLSA-N 1 2 339.395 2.036 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1coc(OCC)n1 ZINC000948935276 1209462197 /nfs/dbraw/zinc/46/21/97/1209462197.db2.gz DPZRFKKEZHOPFO-QGZVFWFLSA-N 1 2 339.395 2.036 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccnc(C2CC2)n1 ZINC000948965491 1209477048 /nfs/dbraw/zinc/47/70/48/1209477048.db2.gz MDGKVLPLAMYFKY-IBGZPJMESA-N 1 2 346.434 2.316 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccnc(C2CC2)n1 ZINC000948965491 1209477049 /nfs/dbraw/zinc/47/70/49/1209477049.db2.gz MDGKVLPLAMYFKY-IBGZPJMESA-N 1 2 346.434 2.316 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(C)cc(F)c3)CC2)C1 ZINC000949474981 1209705602 /nfs/dbraw/zinc/70/56/02/1209705602.db2.gz RFPKLWYHIDOHPS-UHFFFAOYSA-N 1 2 330.403 2.074 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc(C)cc(F)c3)CC2)C1 ZINC000949474981 1209705604 /nfs/dbraw/zinc/70/56/04/1209705604.db2.gz RFPKLWYHIDOHPS-UHFFFAOYSA-N 1 2 330.403 2.074 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)c3ccccc3C)CC2)C1 ZINC000949528878 1209729688 /nfs/dbraw/zinc/72/96/88/1209729688.db2.gz DHASVTJSMKOTCX-SFHVURJKSA-N 1 2 340.467 2.425 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)c3ccccc3C)CC2)C1 ZINC000949528878 1209729690 /nfs/dbraw/zinc/72/96/90/1209729690.db2.gz DHASVTJSMKOTCX-SFHVURJKSA-N 1 2 340.467 2.425 20 30 EEEDLO C=CCC(CC=C)C(=O)N1C[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C1 ZINC001111301559 1209958204 /nfs/dbraw/zinc/95/82/04/1209958204.db2.gz KNFACJUMNZNAEF-CALCHBBNSA-N 1 2 326.444 2.448 20 30 EEEDLO CCc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(C)nn1 ZINC001015389388 1225186006 /nfs/dbraw/zinc/18/60/06/1225186006.db2.gz QGAGXRYSAKTNPN-GOSISDBHSA-N 1 2 349.438 2.223 20 30 EEEDLO CCc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(C)nn1 ZINC001015389388 1225186009 /nfs/dbraw/zinc/18/60/09/1225186009.db2.gz QGAGXRYSAKTNPN-GOSISDBHSA-N 1 2 349.438 2.223 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](CCc2ccns2)C1 ZINC000950353303 1210167679 /nfs/dbraw/zinc/16/76/79/1210167679.db2.gz PIICSRJVQBCPFF-SJORKVTESA-N 1 2 349.500 2.200 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC(=O)N[C@H](CC(C)C)C2)C1 ZINC000950687380 1210352547 /nfs/dbraw/zinc/35/25/47/1210352547.db2.gz MZUNATQHXPTLCC-JKSUJKDBSA-N 1 2 335.492 2.036 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC000951065664 1210598785 /nfs/dbraw/zinc/59/87/85/1210598785.db2.gz GRZAMBMBNOWZBQ-AWEZNQCLSA-N 1 2 340.427 2.267 20 30 EEEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccccc3o1)C2 ZINC001111354904 1210613140 /nfs/dbraw/zinc/61/31/40/1210613140.db2.gz WCIGHJXTKSSODA-ZACQAIPSSA-N 1 2 338.407 2.418 20 30 EEEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccccc3o1)C2 ZINC001111354904 1210613142 /nfs/dbraw/zinc/61/31/42/1210613142.db2.gz WCIGHJXTKSSODA-ZACQAIPSSA-N 1 2 338.407 2.418 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC000951458461 1210829182 /nfs/dbraw/zinc/82/91/82/1210829182.db2.gz IXXUEDITYXORRI-QGZVFWFLSA-N 1 2 344.459 2.127 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](CCOc2ccccc2)C1 ZINC000951785205 1211024551 /nfs/dbraw/zinc/02/45/51/1211024551.db2.gz CNHVAWAWQWVKCF-MOPGFXCFSA-N 1 2 344.455 2.189 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC000952791855 1211582026 /nfs/dbraw/zinc/58/20/26/1211582026.db2.gz VYQYWFXWKQRAGA-FCEWJHQRSA-N 1 2 344.459 2.146 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000952941726 1211629813 /nfs/dbraw/zinc/62/98/13/1211629813.db2.gz VUCXRPRGSJOCPW-IBGZPJMESA-N 1 2 344.459 2.006 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(F)F ZINC001114582115 1212416597 /nfs/dbraw/zinc/41/65/97/1212416597.db2.gz RUEHTAUTPWQESE-QAHWYCSRSA-N 1 2 337.208 2.233 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(F)F ZINC001114582115 1212416600 /nfs/dbraw/zinc/41/66/00/1212416600.db2.gz RUEHTAUTPWQESE-QAHWYCSRSA-N 1 2 337.208 2.233 20 30 EEEDLO CC1(CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cc(F)ccc4C#N)C[C@H]32)CC1 ZINC001114595497 1212761431 /nfs/dbraw/zinc/76/14/31/1212761431.db2.gz FDQMQVBYSWVDQO-VQFNDLOPSA-N 1 2 327.403 2.434 20 30 EEEDLO CC1(CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cc(F)ccc4C#N)C[C@H]32)CC1 ZINC001114595497 1212761434 /nfs/dbraw/zinc/76/14/34/1212761434.db2.gz FDQMQVBYSWVDQO-VQFNDLOPSA-N 1 2 327.403 2.434 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cc4n(n3)CCC4)C2)CC1 ZINC001015659622 1225520703 /nfs/dbraw/zinc/52/07/03/1225520703.db2.gz FUPYKKKBGACTDJ-MRXNPFEDSA-N 1 2 328.460 2.266 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cc4n(n3)CCC4)C2)CC1 ZINC001015659622 1225520709 /nfs/dbraw/zinc/52/07/09/1225520709.db2.gz FUPYKKKBGACTDJ-MRXNPFEDSA-N 1 2 328.460 2.266 20 30 EEEDLO Cc1nsc(N2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)n1 ZINC000093663438 1214918101 /nfs/dbraw/zinc/91/81/01/1214918101.db2.gz NXIYRNTTZVAYIF-ZDUSSCGKSA-N 1 2 343.456 2.460 20 30 EEEDLO C#CCOc1ncccc1C(=O)N(CC)C1C[NH+](Cc2ccccc2)C1 ZINC000957292846 1215028746 /nfs/dbraw/zinc/02/87/46/1215028746.db2.gz OHOWQBFUCCQNIZ-UHFFFAOYSA-N 1 2 349.434 2.440 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C(F)(F)F ZINC001114703417 1215041357 /nfs/dbraw/zinc/04/13/57/1215041357.db2.gz QWEZFYWMYRKSPP-AXTSPUMRSA-N 1 2 341.171 2.140 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C(F)(F)F ZINC001114703417 1215041359 /nfs/dbraw/zinc/04/13/59/1215041359.db2.gz QWEZFYWMYRKSPP-AXTSPUMRSA-N 1 2 341.171 2.140 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(CC(C)C)no3)C[C@H]21 ZINC001114723377 1215104267 /nfs/dbraw/zinc/10/42/67/1215104267.db2.gz XLQBCUQHKYVKEC-BSXFFOKHSA-N 1 2 346.475 2.417 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(CC(C)C)no3)C[C@H]21 ZINC001114723377 1215104270 /nfs/dbraw/zinc/10/42/70/1215104270.db2.gz XLQBCUQHKYVKEC-BSXFFOKHSA-N 1 2 346.475 2.417 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(N(C)C(C)=O)cc2)C1 ZINC000957437749 1215126222 /nfs/dbraw/zinc/12/62/22/1215126222.db2.gz ATVLOCVNEVWDMX-UHFFFAOYSA-N 1 2 329.444 2.392 20 30 EEEDLO C[C@H](CC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H]1CCCO1 ZINC000957463101 1215142092 /nfs/dbraw/zinc/14/20/92/1215142092.db2.gz WKOBPBBVLIDCGH-VQIMIIECSA-N 1 2 341.455 2.408 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4nccn4CC)C[C@H]32)CC1 ZINC001114778904 1215270920 /nfs/dbraw/zinc/27/09/20/1215270920.db2.gz UDFIYNHCROOGCX-QLPKVWCKSA-N 1 2 328.460 2.196 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4nccn4CC)C[C@H]32)CC1 ZINC001114778904 1215270924 /nfs/dbraw/zinc/27/09/24/1215270924.db2.gz UDFIYNHCROOGCX-QLPKVWCKSA-N 1 2 328.460 2.196 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccs1 ZINC000958138768 1215582734 /nfs/dbraw/zinc/58/27/34/1215582734.db2.gz LEVHHIUBVMDNPI-IAZYJMLFSA-N 1 2 327.247 2.317 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccs1 ZINC000958138768 1215582736 /nfs/dbraw/zinc/58/27/36/1215582736.db2.gz LEVHHIUBVMDNPI-IAZYJMLFSA-N 1 2 327.247 2.317 20 30 EEEDLO N#CC[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC001412977034 1216340773 /nfs/dbraw/zinc/34/07/73/1216340773.db2.gz IOKSSFTXTPEVMZ-QZTJIDSGSA-N 1 2 327.428 2.007 20 30 EEEDLO N#Cc1cccc([C@H](O)C[N@@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)c1 ZINC001413006716 1216468223 /nfs/dbraw/zinc/46/82/23/1216468223.db2.gz FXHFHRFXUCTSNP-RBUKOAKNSA-N 1 2 341.455 2.362 20 30 EEEDLO N#Cc1cccc([C@H](O)C[N@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)c1 ZINC001413006716 1216468227 /nfs/dbraw/zinc/46/82/27/1216468227.db2.gz FXHFHRFXUCTSNP-RBUKOAKNSA-N 1 2 341.455 2.362 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1noc2c1COCC2 ZINC000960790756 1216898509 /nfs/dbraw/zinc/89/85/09/1216898509.db2.gz NIDRDLGSLXAJEX-CQSZACIVSA-N 1 2 347.459 2.382 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1noc2c1COCC2 ZINC000960790756 1216898513 /nfs/dbraw/zinc/89/85/13/1216898513.db2.gz NIDRDLGSLXAJEX-CQSZACIVSA-N 1 2 347.459 2.382 20 30 EEEDLO CCc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c(C)o1 ZINC001015830361 1225718345 /nfs/dbraw/zinc/71/83/45/1225718345.db2.gz RZDSUTHRIMAMND-LBPRGKRZSA-N 1 2 344.440 2.483 20 30 EEEDLO CCc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c(C)o1 ZINC001015830361 1225718347 /nfs/dbraw/zinc/71/83/47/1225718347.db2.gz RZDSUTHRIMAMND-LBPRGKRZSA-N 1 2 344.440 2.483 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2nc(C)sc2C)C1 ZINC001015829609 1225717470 /nfs/dbraw/zinc/71/74/70/1225717470.db2.gz WMPWDPYGZDHUDL-VYDXJSESSA-N 1 2 349.500 2.432 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001015829609 1225717474 /nfs/dbraw/zinc/71/74/74/1225717474.db2.gz WMPWDPYGZDHUDL-VYDXJSESSA-N 1 2 349.500 2.432 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N2CCC[C@H]([C@@H]3CCN(CC#N)C3)C2)c[nH+]1 ZINC000961187163 1217076510 /nfs/dbraw/zinc/07/65/10/1217076510.db2.gz BDDUJXREQMCFTR-DLBZAZTESA-N 1 2 343.475 2.011 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC000964984895 1218779919 /nfs/dbraw/zinc/77/99/19/1218779919.db2.gz ANNDGWNANSZLIZ-QGZVFWFLSA-N 1 2 344.459 2.127 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000965058099 1218862605 /nfs/dbraw/zinc/86/26/05/1218862605.db2.gz IFSSBSRMQPRAIO-OAHLLOKOSA-N 1 2 346.475 2.360 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2=CCOCC2)C1 ZINC000965934895 1219374018 /nfs/dbraw/zinc/37/40/18/1219374018.db2.gz ASPCHGVIIMJUNC-BXUZGUMPSA-N 1 2 343.265 2.068 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2=CCOCC2)C1 ZINC000965934895 1219374023 /nfs/dbraw/zinc/37/40/23/1219374023.db2.gz ASPCHGVIIMJUNC-BXUZGUMPSA-N 1 2 343.265 2.068 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn(C)nc2C2CC2)C1 ZINC000966451832 1219761751 /nfs/dbraw/zinc/76/17/51/1219761751.db2.gz BJJOTMDZLAVPSF-ABAIWWIYSA-N 1 2 336.867 2.490 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn(C)nc2C2CC2)C1 ZINC000966451832 1219761754 /nfs/dbraw/zinc/76/17/54/1219761754.db2.gz BJJOTMDZLAVPSF-ABAIWWIYSA-N 1 2 336.867 2.490 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2ccc(C(F)F)n2)C1 ZINC000966628910 1219903060 /nfs/dbraw/zinc/90/30/60/1219903060.db2.gz ACXQUPQGBBJXIZ-MFKMUULPSA-N 1 2 346.809 2.400 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2ccc(C(F)F)n2)C1 ZINC000966628910 1219903065 /nfs/dbraw/zinc/90/30/65/1219903065.db2.gz ACXQUPQGBBJXIZ-MFKMUULPSA-N 1 2 346.809 2.400 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cnn(CCF)c2)C1 ZINC000967064568 1220241701 /nfs/dbraw/zinc/24/17/01/1220241701.db2.gz UUWDODBVEHMVDH-SMDDNHRTSA-N 1 2 328.819 2.045 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cnn(CCF)c2)C1 ZINC000967064568 1220241704 /nfs/dbraw/zinc/24/17/04/1220241704.db2.gz UUWDODBVEHMVDH-SMDDNHRTSA-N 1 2 328.819 2.045 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3nnc(C)n3c2)C1 ZINC000967089183 1220264561 /nfs/dbraw/zinc/26/45/61/1220264561.db2.gz QQGRCFOCIWYQQN-ABAIWWIYSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3nnc(C)n3c2)C1 ZINC000967089183 1220264563 /nfs/dbraw/zinc/26/45/63/1220264563.db2.gz QQGRCFOCIWYQQN-ABAIWWIYSA-N 1 2 347.850 2.230 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000967629634 1220690132 /nfs/dbraw/zinc/69/01/32/1220690132.db2.gz QQUCKKPWWCJACR-FZKQIMNGSA-N 1 2 337.427 2.230 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000967629634 1220690135 /nfs/dbraw/zinc/69/01/35/1220690135.db2.gz QQUCKKPWWCJACR-FZKQIMNGSA-N 1 2 337.427 2.230 20 30 EEEDLO CC[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@@H]1NCC#N ZINC001037955388 1220720784 /nfs/dbraw/zinc/72/07/84/1220720784.db2.gz AQHIGWYVPYVEPD-QAPCUYQASA-N 1 2 337.427 2.226 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccns3)CC[C@H]2C)nc1 ZINC000968548407 1221393969 /nfs/dbraw/zinc/39/39/69/1221393969.db2.gz GGBWGVINTXHIGL-DYVFJYSZSA-N 1 2 340.452 2.160 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccns3)CC[C@H]2C)nc1 ZINC000968548407 1221393973 /nfs/dbraw/zinc/39/39/73/1221393973.db2.gz GGBWGVINTXHIGL-DYVFJYSZSA-N 1 2 340.452 2.160 20 30 EEEDLO Cc1cc(C[N@@H+]2CCCCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)no1 ZINC000968821819 1221598525 /nfs/dbraw/zinc/59/85/25/1221598525.db2.gz FXSNJEVKFMMZII-INIZCTEOSA-N 1 2 341.415 2.357 20 30 EEEDLO Cc1cc(C[N@H+]2CCCCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)no1 ZINC000968821819 1221598528 /nfs/dbraw/zinc/59/85/28/1221598528.db2.gz FXSNJEVKFMMZII-INIZCTEOSA-N 1 2 341.415 2.357 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)Cc3ccon3)C2)ccc1F ZINC001006960864 1222037475 /nfs/dbraw/zinc/03/74/75/1222037475.db2.gz YGQZABIDMFRERV-MRXNPFEDSA-N 1 2 342.374 2.009 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)Cc3ccon3)C2)ccc1F ZINC001006960864 1222037478 /nfs/dbraw/zinc/03/74/78/1222037478.db2.gz YGQZABIDMFRERV-MRXNPFEDSA-N 1 2 342.374 2.009 20 30 EEEDLO CCn1nccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001007198560 1222126984 /nfs/dbraw/zinc/12/69/84/1222126984.db2.gz HAOZJASBLDMNIV-QGZVFWFLSA-N 1 2 337.427 2.169 20 30 EEEDLO CCn1nccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001007198560 1222126988 /nfs/dbraw/zinc/12/69/88/1222126988.db2.gz HAOZJASBLDMNIV-QGZVFWFLSA-N 1 2 337.427 2.169 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)C2CCC(O)CC2)C1 ZINC001007229424 1222138429 /nfs/dbraw/zinc/13/84/29/1222138429.db2.gz XAYMGZUUQWNNML-OBONGRFPSA-N 1 2 341.455 2.190 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)C2CCC(O)CC2)C1 ZINC001007229424 1222138433 /nfs/dbraw/zinc/13/84/33/1222138433.db2.gz XAYMGZUUQWNNML-OBONGRFPSA-N 1 2 341.455 2.190 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1cnc2n1CCC2 ZINC001007523396 1222275927 /nfs/dbraw/zinc/27/59/27/1222275927.db2.gz RFYWFWQPEQQDCC-GOSISDBHSA-N 1 2 348.450 2.075 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1cnc2n1CCC2 ZINC001007523396 1222275929 /nfs/dbraw/zinc/27/59/29/1222275929.db2.gz RFYWFWQPEQQDCC-GOSISDBHSA-N 1 2 348.450 2.075 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001008497835 1222887178 /nfs/dbraw/zinc/88/71/78/1222887178.db2.gz QJSACLHJBDCMKM-KYNGSXCRSA-N 1 2 344.459 2.052 20 30 EEEDLO CCn1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001008755498 1223024876 /nfs/dbraw/zinc/02/48/76/1223024876.db2.gz RIEQNTLYBQFLQI-CYBMUJFWSA-N 1 2 343.456 2.231 20 30 EEEDLO CCn1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001008755498 1223024880 /nfs/dbraw/zinc/02/48/80/1223024880.db2.gz RIEQNTLYBQFLQI-CYBMUJFWSA-N 1 2 343.456 2.231 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001008812653 1223048561 /nfs/dbraw/zinc/04/85/61/1223048561.db2.gz ATXGVHAKZLWGRB-GFCCVEGCSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001008812653 1223048565 /nfs/dbraw/zinc/04/85/65/1223048565.db2.gz ATXGVHAKZLWGRB-GFCCVEGCSA-N 1 2 329.429 2.046 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCCCN2C(C)=O)C1 ZINC001008826150 1223051654 /nfs/dbraw/zinc/05/16/54/1223051654.db2.gz HATZQERUEXNNEL-HOTGVXAUSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCCCN2C(C)=O)C1 ZINC001008826150 1223051658 /nfs/dbraw/zinc/05/16/58/1223051658.db2.gz HATZQERUEXNNEL-HOTGVXAUSA-N 1 2 341.883 2.111 20 30 EEEDLO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CCCOC1 ZINC001008995788 1223107620 /nfs/dbraw/zinc/10/76/20/1223107620.db2.gz SLPLQDUJRYASOL-QUCCMNQESA-N 1 2 341.455 2.456 20 30 EEEDLO C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CCCOC1 ZINC001008995788 1223107621 /nfs/dbraw/zinc/10/76/21/1223107621.db2.gz SLPLQDUJRYASOL-QUCCMNQESA-N 1 2 341.455 2.456 20 30 EEEDLO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)CCOC1 ZINC001008998673 1223108502 /nfs/dbraw/zinc/10/85/02/1223108502.db2.gz BKCGFKDYFOAHOJ-APWZRJJASA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)CCOC1 ZINC001008998673 1223108505 /nfs/dbraw/zinc/10/85/05/1223108505.db2.gz BKCGFKDYFOAHOJ-APWZRJJASA-N 1 2 345.418 2.205 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccns2)C1 ZINC001009352547 1223218880 /nfs/dbraw/zinc/21/88/80/1223218880.db2.gz LDSSTIAXICBNMN-QGZVFWFLSA-N 1 2 339.464 2.448 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC001009352547 1223218882 /nfs/dbraw/zinc/21/88/82/1223218882.db2.gz LDSSTIAXICBNMN-QGZVFWFLSA-N 1 2 339.464 2.448 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)Cc3ccc[nH]3)C2)c(F)c1 ZINC001009569857 1223288628 /nfs/dbraw/zinc/28/86/28/1223288628.db2.gz BVDMNRONNBZZLY-QGZVFWFLSA-N 1 2 340.402 2.349 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)Cc3ccc[nH]3)C2)c(F)c1 ZINC001009569857 1223288630 /nfs/dbraw/zinc/28/86/30/1223288630.db2.gz BVDMNRONNBZZLY-QGZVFWFLSA-N 1 2 340.402 2.349 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001009720846 1223344664 /nfs/dbraw/zinc/34/46/64/1223344664.db2.gz SDIDRQSRTUMNGB-GPANFISMSA-N 1 2 341.883 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001009720846 1223344665 /nfs/dbraw/zinc/34/46/65/1223344665.db2.gz SDIDRQSRTUMNGB-GPANFISMSA-N 1 2 341.883 2.014 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001009757684 1223358058 /nfs/dbraw/zinc/35/80/58/1223358058.db2.gz FJJLFUYTISPWNF-GFCCVEGCSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001009757684 1223358061 /nfs/dbraw/zinc/35/80/61/1223358061.db2.gz FJJLFUYTISPWNF-GFCCVEGCSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)cn1 ZINC001010175739 1223588559 /nfs/dbraw/zinc/58/85/59/1223588559.db2.gz GGPNEXGACUQVPD-QGZVFWFLSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)cn1 ZINC001010175739 1223588560 /nfs/dbraw/zinc/58/85/60/1223588560.db2.gz GGPNEXGACUQVPD-QGZVFWFLSA-N 1 2 338.386 2.405 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nc(CCC)no2)C1 ZINC001018909776 1228515446 /nfs/dbraw/zinc/51/54/46/1228515446.db2.gz CCIKMYOOBDPNBF-LBPRGKRZSA-N 1 2 340.855 2.491 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001019332651 1228998803 /nfs/dbraw/zinc/99/88/03/1228998803.db2.gz UMAAIKBFXZYWJY-KBXCAEBGSA-N 1 2 332.448 2.315 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH2+]Cc3nc(CC(C)C)no3)C2)C1 ZINC001019353404 1229021784 /nfs/dbraw/zinc/02/17/84/1229021784.db2.gz IXOKLIMVEJFGKK-AWEZNQCLSA-N 1 2 332.448 2.315 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)ns1 ZINC001038200224 1229686380 /nfs/dbraw/zinc/68/63/80/1229686380.db2.gz YAHGLRJBYDPISD-OAHLLOKOSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)ns1 ZINC001038200224 1229686381 /nfs/dbraw/zinc/68/63/81/1229686381.db2.gz YAHGLRJBYDPISD-OAHLLOKOSA-N 1 2 326.425 2.328 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+]1Cc1c(C)noc1C ZINC001038345217 1229759223 /nfs/dbraw/zinc/75/92/23/1229759223.db2.gz NTNQCPVLAHIQBY-HNNXBMFYSA-N 1 2 328.416 2.283 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1c(C)noc1C ZINC001038345217 1229759225 /nfs/dbraw/zinc/75/92/25/1229759225.db2.gz NTNQCPVLAHIQBY-HNNXBMFYSA-N 1 2 328.416 2.283 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ncc3ccccn32)cc1 ZINC001038512112 1229883040 /nfs/dbraw/zinc/88/30/40/1229883040.db2.gz VWXXLSATTGIYFP-KRWDZBQOSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ncc3ccccn32)cc1 ZINC001038512112 1229883047 /nfs/dbraw/zinc/88/30/47/1229883047.db2.gz VWXXLSATTGIYFP-KRWDZBQOSA-N 1 2 345.406 2.210 20 30 EEEDLO CCc1cc(C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)cc(=O)[nH]1 ZINC001038518871 1229889640 /nfs/dbraw/zinc/88/96/40/1229889640.db2.gz TVANUQSZWSTPND-LJQANCHMSA-N 1 2 349.434 2.205 20 30 EEEDLO CCc1cc(C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)cc(=O)[nH]1 ZINC001038518871 1229889647 /nfs/dbraw/zinc/88/96/47/1229889647.db2.gz TVANUQSZWSTPND-LJQANCHMSA-N 1 2 349.434 2.205 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCn2cc(Cl)cn2)CC1 ZINC001038668226 1229963128 /nfs/dbraw/zinc/96/31/28/1229963128.db2.gz SOMXSSKQXZKESC-MRXNPFEDSA-N 1 2 336.867 2.473 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2CCn2cc(Cl)cn2)CC1 ZINC001038668226 1229963125 /nfs/dbraw/zinc/96/31/25/1229963125.db2.gz SOMXSSKQXZKESC-MRXNPFEDSA-N 1 2 336.867 2.473 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2[C@H]2CCN(C3CCC3)C2=O)CC1 ZINC001038668931 1229963996 /nfs/dbraw/zinc/96/39/96/1229963996.db2.gz XXYBUTAQPCOHIR-ROUUACIJSA-N 1 2 345.487 2.077 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2[C@H]2CCN(C3CCC3)C2=O)CC1 ZINC001038668931 1229963998 /nfs/dbraw/zinc/96/39/98/1229963998.db2.gz XXYBUTAQPCOHIR-ROUUACIJSA-N 1 2 345.487 2.077 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1c(C)nsc1C ZINC001038713757 1229992474 /nfs/dbraw/zinc/99/24/74/1229992474.db2.gz GCLDVUYYIIKHCR-LZWOXQAQSA-N 1 2 335.473 2.042 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1c(C)nsc1C ZINC001038713757 1229992479 /nfs/dbraw/zinc/99/24/79/1229992479.db2.gz GCLDVUYYIIKHCR-LZWOXQAQSA-N 1 2 335.473 2.042 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)[C@H]2CC[C@H](CC)CC2)C1=O ZINC001038941535 1230180784 /nfs/dbraw/zinc/18/07/84/1230180784.db2.gz ALWMHOHNDKMIMN-XLAORIBOSA-N 1 2 347.503 2.180 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)[C@H]2CC[C@H](CC)CC2)C1=O ZINC001038941535 1230180788 /nfs/dbraw/zinc/18/07/88/1230180788.db2.gz ALWMHOHNDKMIMN-XLAORIBOSA-N 1 2 347.503 2.180 20 30 EEEDLO C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131840 1230340895 /nfs/dbraw/zinc/34/08/95/1230340895.db2.gz XGKCXKOOVJCNAG-ZIAGYGMSSA-N 1 2 334.357 2.471 20 30 EEEDLO C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131840 1230340898 /nfs/dbraw/zinc/34/08/98/1230340898.db2.gz XGKCXKOOVJCNAG-ZIAGYGMSSA-N 1 2 334.357 2.471 20 30 EEEDLO C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC001039131840 1230340900 /nfs/dbraw/zinc/34/09/00/1230340900.db2.gz XGKCXKOOVJCNAG-ZIAGYGMSSA-N 1 2 334.357 2.471 20 30 EEEDLO C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC001039131840 1230340904 /nfs/dbraw/zinc/34/09/04/1230340904.db2.gz XGKCXKOOVJCNAG-ZIAGYGMSSA-N 1 2 334.357 2.471 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@](C)(O)C1CC1 ZINC001039358943 1230551533 /nfs/dbraw/zinc/55/15/33/1230551533.db2.gz UUVOITSGRFHNMH-VYDXJSESSA-N 1 2 326.868 2.355 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@](C)(O)C1CC1 ZINC001039358943 1230551538 /nfs/dbraw/zinc/55/15/38/1230551538.db2.gz UUVOITSGRFHNMH-VYDXJSESSA-N 1 2 326.868 2.355 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn2cccnc2n1 ZINC001039399887 1230582295 /nfs/dbraw/zinc/58/22/95/1230582295.db2.gz ZEYUBOPATJEKSN-KGLIPLIRSA-N 1 2 345.834 2.161 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn2cccnc2n1 ZINC001039399887 1230582297 /nfs/dbraw/zinc/58/22/97/1230582297.db2.gz ZEYUBOPATJEKSN-KGLIPLIRSA-N 1 2 345.834 2.161 20 30 EEEDLO Cn1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)cn1 ZINC001039510943 1230666174 /nfs/dbraw/zinc/66/61/74/1230666174.db2.gz ZRJHRDCCQXVRKE-KDURUIRLSA-N 1 2 349.438 2.171 20 30 EEEDLO Cn1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)cn1 ZINC001039510943 1230666179 /nfs/dbraw/zinc/66/61/79/1230666179.db2.gz ZRJHRDCCQXVRKE-KDURUIRLSA-N 1 2 349.438 2.171 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H](CC)C(N)=O)CC1 ZINC001039892030 1230890853 /nfs/dbraw/zinc/89/08/53/1230890853.db2.gz RYWQZLKJRPPSGM-BBWFWOEESA-N 1 2 333.476 2.062 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H](CC)C(N)=O)CC1 ZINC001039892030 1230890855 /nfs/dbraw/zinc/89/08/55/1230890855.db2.gz RYWQZLKJRPPSGM-BBWFWOEESA-N 1 2 333.476 2.062 20 30 EEEDLO Cc1nc(NC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C)cc[nH+]1 ZINC001040394912 1231206120 /nfs/dbraw/zinc/20/61/20/1231206120.db2.gz PBVVHQXXDXHGFI-JSGCOSHPSA-N 1 2 338.415 2.195 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001067339331 1231468671 /nfs/dbraw/zinc/46/86/71/1231468671.db2.gz OHYCPWVWYOBNCX-PMPSAXMXSA-N 1 2 344.459 2.097 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ncnn3CC)C2)C1 ZINC001041537566 1231586859 /nfs/dbraw/zinc/58/68/59/1231586859.db2.gz ZBLWENVDFAZXHQ-IBGZPJMESA-N 1 2 345.491 2.325 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(CC[N@H+](Cc3ncnn3CC)C2)C1 ZINC001041537566 1231586861 /nfs/dbraw/zinc/58/68/61/1231586861.db2.gz ZBLWENVDFAZXHQ-IBGZPJMESA-N 1 2 345.491 2.325 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@@H+]([C@@H](C)c3nnc(C)[nH]3)C2)C1 ZINC001041542841 1231588832 /nfs/dbraw/zinc/58/88/32/1231588832.db2.gz GJUROBJZYAXWOI-SCLBCKFNSA-N 1 2 331.464 2.311 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@H+]([C@@H](C)c3nnc(C)[nH]3)C2)C1 ZINC001041542841 1231588833 /nfs/dbraw/zinc/58/88/33/1231588833.db2.gz GJUROBJZYAXWOI-SCLBCKFNSA-N 1 2 331.464 2.311 20 30 EEEDLO CCc1cnc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)o1 ZINC001042057828 1231859279 /nfs/dbraw/zinc/85/92/79/1231859279.db2.gz NBXPALWOKYULQH-WBVHZDCISA-N 1 2 327.428 2.073 20 30 EEEDLO CCc1cnc(C[N@H+]2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)o1 ZINC001042057828 1231859281 /nfs/dbraw/zinc/85/92/81/1231859281.db2.gz NBXPALWOKYULQH-WBVHZDCISA-N 1 2 327.428 2.073 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccon3)[C@H]2C1 ZINC001042093935 1231883472 /nfs/dbraw/zinc/88/34/72/1231883472.db2.gz BWYHLYXBADQVPS-QAPCUYQASA-N 1 2 340.427 2.399 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccon3)[C@H]2C1 ZINC001042093935 1231883474 /nfs/dbraw/zinc/88/34/74/1231883474.db2.gz BWYHLYXBADQVPS-QAPCUYQASA-N 1 2 340.427 2.399 20 30 EEEDLO C[C@@H]([NH2+][C@@H](CO)c1cc(F)ccc1F)C(=O)Nc1cccc(C#N)c1 ZINC001413075348 1231998434 /nfs/dbraw/zinc/99/84/34/1231998434.db2.gz BYLNLLNUXOZWKR-DIFFPNOSSA-N 1 2 345.349 2.487 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](CCc2ccccc2F)C1 ZINC001044038571 1232683367 /nfs/dbraw/zinc/68/33/67/1232683367.db2.gz CVNDTZGBFCXIQU-HKUYNNGSSA-N 1 2 346.446 2.492 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](Cc3ccccc3N(C)C)C2)cn1 ZINC001044206015 1232787784 /nfs/dbraw/zinc/78/77/84/1232787784.db2.gz RLGSUMNMYNDOJS-UHFFFAOYSA-N 1 2 348.450 2.085 20 30 EEEDLO CCN(CCCNC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccc(C#N)nc1 ZINC001095973389 1232843620 /nfs/dbraw/zinc/84/36/20/1232843620.db2.gz XAFMKUYWKYFPEL-OAHLLOKOSA-N 1 2 340.431 2.134 20 30 EEEDLO C=C(Cl)CN1CC(N(C)C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001044327068 1232873462 /nfs/dbraw/zinc/87/34/62/1232873462.db2.gz WKLUWADWXREVKT-UHFFFAOYSA-N 1 2 339.892 2.001 20 30 EEEDLO C=C(Cl)CN1CC(N(C)C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001044327068 1232873468 /nfs/dbraw/zinc/87/34/68/1232873468.db2.gz WKLUWADWXREVKT-UHFFFAOYSA-N 1 2 339.892 2.001 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[NH2+]Cc2nc([C@H](C)OC)no2)C1 ZINC001045191527 1233569888 /nfs/dbraw/zinc/56/98/88/1233569888.db2.gz ZAKOWIHJJJNUEY-KBPBESRZSA-N 1 2 348.447 2.214 20 30 EEEDLO Cc1nc(N(CCCNC(=O)[C@@H](C)C#N)C2CC2)c2c([nH+]1)CCCC2 ZINC001096016368 1233656723 /nfs/dbraw/zinc/65/67/23/1233656723.db2.gz NRGDQDGLMBGLSR-ZDUSSCGKSA-N 1 2 341.459 2.299 20 30 EEEDLO CC(C)c1cccc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c1 ZINC001046076861 1234410996 /nfs/dbraw/zinc/41/09/96/1234410996.db2.gz HTXGLZLGLIKCQB-IBGZPJMESA-N 1 2 340.471 2.166 20 30 EEEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CCC3CCCCC3)CC2)C1 ZINC001046080352 1234415609 /nfs/dbraw/zinc/41/56/09/1234415609.db2.gz FRLDBZUQUQPJKV-SFHVURJKSA-N 1 2 332.492 2.089 20 30 EEEDLO C[C@]1(NC(=O)[C@H]2CCOC2)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046176521 1234517973 /nfs/dbraw/zinc/51/79/73/1234517973.db2.gz FNBRXNWNLUZRNH-LPHOPBHVSA-N 1 2 346.858 2.309 20 30 EEEDLO C[C@]1(NC(=O)[C@H]2CCOC2)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046176521 1234517975 /nfs/dbraw/zinc/51/79/75/1234517975.db2.gz FNBRXNWNLUZRNH-LPHOPBHVSA-N 1 2 346.858 2.309 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)C2=COCCC2)C1 ZINC001046185214 1234527519 /nfs/dbraw/zinc/52/75/19/1234527519.db2.gz ZXFAWRBQUBZTKF-AWEZNQCLSA-N 1 2 329.238 2.170 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)C2=COCCC2)C1 ZINC001046185214 1234527521 /nfs/dbraw/zinc/52/75/21/1234527521.db2.gz ZXFAWRBQUBZTKF-AWEZNQCLSA-N 1 2 329.238 2.170 20 30 EEEDLO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001046252617 1234596410 /nfs/dbraw/zinc/59/64/10/1234596410.db2.gz FCSXPGVXCFWCCZ-QGZVFWFLSA-N 1 2 343.818 2.329 20 30 EEEDLO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001046252617 1234596414 /nfs/dbraw/zinc/59/64/14/1234596414.db2.gz FCSXPGVXCFWCCZ-QGZVFWFLSA-N 1 2 343.818 2.329 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cncc(N3CCCC3)n2)C1 ZINC001046682381 1235071001 /nfs/dbraw/zinc/07/10/01/1235071001.db2.gz WZRRKJDDUMAUHR-KRWDZBQOSA-N 1 2 349.866 2.024 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cncc(N3CCCC3)n2)C1 ZINC001046682381 1235071003 /nfs/dbraw/zinc/07/10/03/1235071003.db2.gz WZRRKJDDUMAUHR-KRWDZBQOSA-N 1 2 349.866 2.024 20 30 EEEDLO C[C@]1(NC(=O)c2nccs2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046724789 1235115263 /nfs/dbraw/zinc/11/52/63/1235115263.db2.gz OSBPQDKHHPPZBE-KRWDZBQOSA-N 1 2 326.425 2.409 20 30 EEEDLO C[C@]1(NC(=O)c2nccs2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046724789 1235115265 /nfs/dbraw/zinc/11/52/65/1235115265.db2.gz OSBPQDKHHPPZBE-KRWDZBQOSA-N 1 2 326.425 2.409 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2n[nH]c3c2C[C@@H](C)CC3)C1 ZINC001046740497 1235134556 /nfs/dbraw/zinc/13/45/56/1235134556.db2.gz UZZLMMQEROTCDZ-GTNSWQLSSA-N 1 2 336.867 2.481 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2n[nH]c3c2C[C@@H](C)CC3)C1 ZINC001046740497 1235134558 /nfs/dbraw/zinc/13/45/58/1235134558.db2.gz UZZLMMQEROTCDZ-GTNSWQLSSA-N 1 2 336.867 2.481 20 30 EEEDLO Cc1cc([N-][NH+]=Cc2ccc(C(F)(F)F)nc2N(C)C)nc(N)[nH+]1 ZINC000901270903 1235461941 /nfs/dbraw/zinc/46/19/41/1235461941.db2.gz DESXSBVRWVNRFI-UHFFFAOYSA-N 1 2 339.325 2.293 20 30 EEEDLO Cc1cc(C)c(C(=O)NC[C@H]2C[C@H](Nc3ccncc3C#N)C2)c(C)[nH+]1 ZINC001047101835 1235519009 /nfs/dbraw/zinc/51/90/09/1235519009.db2.gz RNLRVPUQNANIAX-JCNLHEQBSA-N 1 2 349.438 2.316 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096176404 1235812098 /nfs/dbraw/zinc/81/20/98/1235812098.db2.gz CCAXZDSVAROUNF-KXBFYZLASA-N 1 2 344.459 2.075 20 30 EEEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC001047598361 1236260358 /nfs/dbraw/zinc/26/03/58/1236260358.db2.gz IZROOAFOIBZQGE-IRXDYDNUSA-N 1 2 340.423 2.190 20 30 EEEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC001047598361 1236260371 /nfs/dbraw/zinc/26/03/71/1236260371.db2.gz IZROOAFOIBZQGE-IRXDYDNUSA-N 1 2 340.423 2.190 20 30 EEEDLO C#CCC[N@@H+]1C[C@H]2CN(C(=O)c3cc(C4CCCCC4)[nH]n3)C[C@H]2C1 ZINC001048867233 1239085414 /nfs/dbraw/zinc/08/54/14/1239085414.db2.gz DNVKBBXQWOBUEU-CALCHBBNSA-N 1 2 340.471 2.485 20 30 EEEDLO C#CCC[N@H+]1C[C@H]2CN(C(=O)c3cc(C4CCCCC4)[nH]n3)C[C@H]2C1 ZINC001048867233 1239085423 /nfs/dbraw/zinc/08/54/23/1239085423.db2.gz DNVKBBXQWOBUEU-CALCHBBNSA-N 1 2 340.471 2.485 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001067853235 1239342264 /nfs/dbraw/zinc/34/22/64/1239342264.db2.gz RXRNTZHSLDVABB-HZPDHXFCSA-N 1 2 334.464 2.038 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001056423474 1239356914 /nfs/dbraw/zinc/35/69/14/1239356914.db2.gz OCVJNCJKQNMLRD-HZPDHXFCSA-N 1 2 344.459 2.077 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001056725640 1239733003 /nfs/dbraw/zinc/73/30/03/1239733003.db2.gz YTLQLKVNMRWSMM-HLLBOEOZSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001067881586 1249867071 /nfs/dbraw/zinc/86/70/71/1249867071.db2.gz HAYDVNFBHZHVIA-AWEZNQCLSA-N 1 2 334.464 2.170 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(CCC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001096544896 1241356636 /nfs/dbraw/zinc/35/66/36/1241356636.db2.gz NLFTZAYCRVTKOE-LJQANCHMSA-N 1 2 346.475 2.320 20 30 EEEDLO C#Cc1ccc(C(=O)NCC2=CC[N@H+](Cc3cc(C)n(C)n3)CC2)cc1 ZINC001001028617 1241476975 /nfs/dbraw/zinc/47/69/75/1241476975.db2.gz BQLBZYSSNAZGPX-UHFFFAOYSA-N 1 2 348.450 2.272 20 30 EEEDLO C#Cc1ccc(C(=O)NCC2=CC[N@@H+](Cc3cc(C)n(C)n3)CC2)cc1 ZINC001001028617 1241476979 /nfs/dbraw/zinc/47/69/79/1241476979.db2.gz BQLBZYSSNAZGPX-UHFFFAOYSA-N 1 2 348.450 2.272 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1nc(CC)no1 ZINC001049638248 1241722239 /nfs/dbraw/zinc/72/22/39/1241722239.db2.gz ACOLUFWODUIAGZ-UONOGXRCSA-N 1 2 332.448 2.410 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1nc(CC)no1 ZINC001049638248 1241722249 /nfs/dbraw/zinc/72/22/49/1241722249.db2.gz ACOLUFWODUIAGZ-UONOGXRCSA-N 1 2 332.448 2.410 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2ncccn2)C1 ZINC001049713302 1241962124 /nfs/dbraw/zinc/96/21/24/1241962124.db2.gz XODZUHZGBRJYKK-HZPDHXFCSA-N 1 2 326.444 2.398 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2ncccn2)C1 ZINC001049713302 1241962133 /nfs/dbraw/zinc/96/21/33/1241962133.db2.gz XODZUHZGBRJYKK-HZPDHXFCSA-N 1 2 326.444 2.398 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1coc(C)n1 ZINC001049732661 1242028012 /nfs/dbraw/zinc/02/80/12/1242028012.db2.gz PLQITSNTTQIQLQ-TVFCKZIOSA-N 1 2 345.443 2.139 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1coc(C)n1 ZINC001049732661 1242028018 /nfs/dbraw/zinc/02/80/18/1242028018.db2.gz PLQITSNTTQIQLQ-TVFCKZIOSA-N 1 2 345.443 2.139 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001073442546 1242485944 /nfs/dbraw/zinc/48/59/44/1242485944.db2.gz NCNGADXEJQPLJC-INIZCTEOSA-N 1 2 346.475 2.360 20 30 EEEDLO C=C[C@H](C(=O)N1CC2(C1)CC[N@H+](Cc1cnon1)C2)c1ccccc1 ZINC001073450995 1242496708 /nfs/dbraw/zinc/49/67/08/1242496708.db2.gz PKTVESKJRFQVKL-KRWDZBQOSA-N 1 2 338.411 2.074 20 30 EEEDLO C=C[C@H](C(=O)N1CC2(C1)CC[N@@H+](Cc1cnon1)C2)c1ccccc1 ZINC001073450995 1242496729 /nfs/dbraw/zinc/49/67/29/1242496729.db2.gz PKTVESKJRFQVKL-KRWDZBQOSA-N 1 2 338.411 2.074 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001073518668 1242550200 /nfs/dbraw/zinc/55/02/00/1242550200.db2.gz UXAMOXPXZFAWOE-HOCLYGCPSA-N 1 2 346.475 2.298 20 30 EEEDLO CCc1cnc(C[N@@H+]2C[C@@H]3CCCN(C(=O)C#CC4CC4)[C@@H]3C2)o1 ZINC001050044902 1242709484 /nfs/dbraw/zinc/70/94/84/1242709484.db2.gz SPEPFZRRNYIDQX-DOTOQJQBSA-N 1 2 327.428 2.073 20 30 EEEDLO CCc1cnc(C[N@H+]2C[C@@H]3CCCN(C(=O)C#CC4CC4)[C@@H]3C2)o1 ZINC001050044902 1242709494 /nfs/dbraw/zinc/70/94/94/1242709494.db2.gz SPEPFZRRNYIDQX-DOTOQJQBSA-N 1 2 327.428 2.073 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2C[C@@H]3CCCN(C(=O)C#CC4CC4)[C@@H]3C2)n1 ZINC001050046372 1242712349 /nfs/dbraw/zinc/71/23/49/1242712349.db2.gz ZQFACPVAFDXPAK-PKOBYXMFSA-N 1 2 340.471 2.300 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2C[C@@H]3CCCN(C(=O)C#CC4CC4)[C@@H]3C2)n1 ZINC001050046372 1242712357 /nfs/dbraw/zinc/71/23/57/1242712357.db2.gz ZQFACPVAFDXPAK-PKOBYXMFSA-N 1 2 340.471 2.300 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2nccc3[nH]ccc32)C1 ZINC001073772749 1242714223 /nfs/dbraw/zinc/71/42/23/1242714223.db2.gz XDNXGNOMZHJXOQ-ZDUSSCGKSA-N 1 2 348.834 2.136 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2nccc3[nH]ccc32)C1 ZINC001073772749 1242714234 /nfs/dbraw/zinc/71/42/34/1242714234.db2.gz XDNXGNOMZHJXOQ-ZDUSSCGKSA-N 1 2 348.834 2.136 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001073999823 1242896909 /nfs/dbraw/zinc/89/69/09/1242896909.db2.gz RKJWHEYRIOXCIP-HOTGVXAUSA-N 1 2 346.475 2.062 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccon2)C3)s1 ZINC001096843005 1243357376 /nfs/dbraw/zinc/35/73/76/1243357376.db2.gz IVSKTXFHZYVVGH-KMUNFCNLSA-N 1 2 328.397 2.143 20 30 EEEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccon2)C3)s1 ZINC001096843005 1243357385 /nfs/dbraw/zinc/35/73/85/1243357385.db2.gz IVSKTXFHZYVVGH-KMUNFCNLSA-N 1 2 328.397 2.143 20 30 EEEDLO C[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)Nc1ncccc1C#N ZINC001098023528 1243678988 /nfs/dbraw/zinc/67/89/88/1243678988.db2.gz KUEACUYYXXJPIK-CQSZACIVSA-N 1 2 346.394 2.369 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001097218132 1243840690 /nfs/dbraw/zinc/84/06/90/1243840690.db2.gz JPPLLANHUWSVDO-GASCZTMLSA-N 1 2 330.432 2.007 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1Cc3ccccc3O1)C2 ZINC001097471795 1244224784 /nfs/dbraw/zinc/22/47/84/1244224784.db2.gz PMIOXEUQVQUJDH-AIANPOQGSA-N 1 2 332.831 2.464 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1Cc3ccccc3O1)C2 ZINC001097471795 1244224795 /nfs/dbraw/zinc/22/47/95/1244224795.db2.gz PMIOXEUQVQUJDH-AIANPOQGSA-N 1 2 332.831 2.464 20 30 EEEDLO C=CCOCC(=O)N1CC[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001098512556 1244397975 /nfs/dbraw/zinc/39/79/75/1244397975.db2.gz FHOMBKRHXZKJPX-OAHLLOKOSA-N 1 2 332.448 2.371 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001050844500 1244479061 /nfs/dbraw/zinc/47/90/61/1244479061.db2.gz NVSGDGBOBXUHLA-UKRRQHHQSA-N 1 2 346.475 2.216 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3nc(COC)no3)CC2)C1 ZINC001052690595 1244760245 /nfs/dbraw/zinc/76/02/45/1244760245.db2.gz OLNDYEMCGUVOCQ-CQSZACIVSA-N 1 2 348.447 2.043 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3nc(COC)no3)CC2)C1 ZINC001052690595 1244760253 /nfs/dbraw/zinc/76/02/53/1244760253.db2.gz OLNDYEMCGUVOCQ-CQSZACIVSA-N 1 2 348.447 2.043 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnoc1-c1ccco1 ZINC001050986632 1244787967 /nfs/dbraw/zinc/78/79/67/1244787967.db2.gz MYXZWVRLKRYMIB-CQSZACIVSA-N 1 2 345.399 2.331 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnoc1-c1ccco1 ZINC001050986632 1244787974 /nfs/dbraw/zinc/78/79/74/1244787974.db2.gz MYXZWVRLKRYMIB-CQSZACIVSA-N 1 2 345.399 2.331 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050993747 1244809704 /nfs/dbraw/zinc/80/97/04/1244809704.db2.gz OORDIGGVIFIKLQ-LSDHHAIUSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050993747 1244809712 /nfs/dbraw/zinc/80/97/12/1244809712.db2.gz OORDIGGVIFIKLQ-LSDHHAIUSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001051130012 1245016150 /nfs/dbraw/zinc/01/61/50/1245016150.db2.gz OHSYPTQHWJGCTF-AWEZNQCLSA-N 1 2 344.415 2.067 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001051130012 1245016162 /nfs/dbraw/zinc/01/61/62/1245016162.db2.gz OHSYPTQHWJGCTF-AWEZNQCLSA-N 1 2 344.415 2.067 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnn([C@H](C)CC)c1C ZINC001051202186 1245382893 /nfs/dbraw/zinc/38/28/93/1245382893.db2.gz GERKRDCKYDLYFT-ZBFHGGJFSA-N 1 2 334.464 2.169 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnn([C@H](C)CC)c1C ZINC001051202186 1245382895 /nfs/dbraw/zinc/38/28/95/1245382895.db2.gz GERKRDCKYDLYFT-ZBFHGGJFSA-N 1 2 334.464 2.169 20 30 EEEDLO C=CCOCC(=O)NCCN(CCC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001101106368 1245412376 /nfs/dbraw/zinc/41/23/76/1245412376.db2.gz IAAONCPRENRROJ-UHFFFAOYSA-N 1 2 334.464 2.444 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCCN(CCC)c1[nH+]cnc2c1cnn2C ZINC001101222238 1245535602 /nfs/dbraw/zinc/53/56/02/1245535602.db2.gz DBNXVWUBBZDGPJ-CQSZACIVSA-N 1 2 344.463 2.298 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCCC[C@H]2CN(C)c2cc[nH+]c(C)n2)nc1 ZINC001051336401 1245570847 /nfs/dbraw/zinc/57/08/47/1245570847.db2.gz LETIMDFQMWZIHA-KRWDZBQOSA-N 1 2 349.438 2.292 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CC)C[C@@]2(C)C1 ZINC001101336417 1245678616 /nfs/dbraw/zinc/67/86/16/1245678616.db2.gz BFHGRUOYSIHKQK-MDZRGWNJSA-N 1 2 345.491 2.181 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CC)C[C@@]2(C)C1 ZINC001101336417 1245678621 /nfs/dbraw/zinc/67/86/21/1245678621.db2.gz BFHGRUOYSIHKQK-MDZRGWNJSA-N 1 2 345.491 2.181 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001053131614 1245959382 /nfs/dbraw/zinc/95/93/82/1245959382.db2.gz GKMPIPUMUHPOHP-HUUCEWRRSA-N 1 2 346.475 2.155 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001053131614 1245959389 /nfs/dbraw/zinc/95/93/89/1245959389.db2.gz GKMPIPUMUHPOHP-HUUCEWRRSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)CCc1ccsc1)c1nccn12 ZINC001101632220 1246061922 /nfs/dbraw/zinc/06/19/22/1246061922.db2.gz CJSHMFZOTWWVRR-HNNXBMFYSA-N 1 2 342.468 2.335 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CCc1ccc(F)cc1)CCO2 ZINC001053330798 1246191624 /nfs/dbraw/zinc/19/16/24/1246191624.db2.gz XUMIWYJDSBOPMC-UHFFFAOYSA-N 1 2 332.419 2.248 20 30 EEEDLO C=CCC1(C(=O)N(C)CCNc2ncnc3c2C[N@H+](C)CC3)CCC1 ZINC001101929837 1246254444 /nfs/dbraw/zinc/25/44/44/1246254444.db2.gz QLFCLAZCWDADGF-UHFFFAOYSA-N 1 2 343.475 2.081 20 30 EEEDLO C=CCC1(C(=O)N(C)CCNc2ncnc3c2C[N@@H+](C)CC3)CCC1 ZINC001101929837 1246254454 /nfs/dbraw/zinc/25/44/54/1246254454.db2.gz QLFCLAZCWDADGF-UHFFFAOYSA-N 1 2 343.475 2.081 20 30 EEEDLO C[C@H](c1csnn1)[N@H+]1C[C@@H](CNC(=O)C#CC(C)(C)C)[C@H](C)C1 ZINC001101954890 1246268940 /nfs/dbraw/zinc/26/89/40/1246268940.db2.gz IOVIZTWTJWYGOM-MGPQQGTHSA-N 1 2 334.489 2.333 20 30 EEEDLO C[C@H](c1csnn1)[N@@H+]1C[C@@H](CNC(=O)C#CC(C)(C)C)[C@H](C)C1 ZINC001101954890 1246268946 /nfs/dbraw/zinc/26/89/46/1246268946.db2.gz IOVIZTWTJWYGOM-MGPQQGTHSA-N 1 2 334.489 2.333 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(OC)cc1C)CCO2 ZINC001053403449 1246290284 /nfs/dbraw/zinc/29/02/84/1246290284.db2.gz NYGTXQTZTOKMIX-UHFFFAOYSA-N 1 2 330.428 2.107 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1sc(C)cc1OC)CCO2 ZINC001053459213 1246357124 /nfs/dbraw/zinc/35/71/24/1246357124.db2.gz KAAOQEIODQWQIG-UHFFFAOYSA-N 1 2 336.457 2.168 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CCO[C@H](CC)C1)CCO2 ZINC001053501030 1246403362 /nfs/dbraw/zinc/40/33/62/1246403362.db2.gz INHZDKMXMIVLKW-IAGOWNOFSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc3c(C)cccn3c1)CCO2 ZINC001053506805 1246410261 /nfs/dbraw/zinc/41/02/61/1246410261.db2.gz QUTIUJDSNBFHHQ-UHFFFAOYSA-N 1 2 339.439 2.351 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(Cl)[nH]3)C2)CC1 ZINC001052076669 1246452740 /nfs/dbraw/zinc/45/27/40/1246452740.db2.gz KOMNGJJKIHLYBC-CQSZACIVSA-N 1 2 336.867 2.076 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(Cl)ccc3C)C2)CC1 ZINC001052098962 1246479148 /nfs/dbraw/zinc/47/91/48/1246479148.db2.gz SCJCNVKBLZZXDB-QGZVFWFLSA-N 1 2 345.874 2.114 20 30 EEEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C3CC(C(C)(C)C)C3)C2)CC1 ZINC001052121865 1246506472 /nfs/dbraw/zinc/50/64/72/1246506472.db2.gz IYLUYJOHCMIUBJ-ACBHZAAOSA-N 1 2 345.531 2.301 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C(C)C)nn1CC)O2 ZINC001053624660 1246550683 /nfs/dbraw/zinc/55/06/83/1246550683.db2.gz ZDXSODOSNGCJIY-OAHLLOKOSA-N 1 2 346.475 2.176 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccn3ccccc13)O2 ZINC001053630641 1246560864 /nfs/dbraw/zinc/56/08/64/1246560864.db2.gz LIDXPRDQQPGMHZ-INIZCTEOSA-N 1 2 339.439 2.479 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccn3ccccc13)O2 ZINC001053630117 1246560878 /nfs/dbraw/zinc/56/08/78/1246560878.db2.gz GXKLZQIVYZMFCP-OAHLLOKOSA-N 1 2 325.412 2.089 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc3[nH]nc(C)c3c1)O2 ZINC001053631048 1246561162 /nfs/dbraw/zinc/56/11/62/1246561162.db2.gz QBGFNUAIJSUFHJ-OAHLLOKOSA-N 1 2 340.427 2.021 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC2(C[NH+](CC=C(C)C)C2)O1 ZINC001053675019 1246629595 /nfs/dbraw/zinc/62/95/95/1246629595.db2.gz CAJIAXCWFPFRFZ-BZSNNMDCSA-N 1 2 348.487 2.283 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(OCC)c1)CO2 ZINC001053941498 1247040238 /nfs/dbraw/zinc/04/02/38/1247040238.db2.gz WISHXNQZIBKNIZ-INIZCTEOSA-N 1 2 330.428 2.235 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc(C3CC3)s1)CO2 ZINC001053988056 1247112438 /nfs/dbraw/zinc/11/24/38/1247112438.db2.gz XWVWAPBVBBPMCQ-CYBMUJFWSA-N 1 2 333.457 2.170 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3cccc(F)c3o1)CO2 ZINC001054012492 1247146879 /nfs/dbraw/zinc/14/68/79/1247146879.db2.gz FAIUUPFRLVVUTR-AWEZNQCLSA-N 1 2 342.370 2.168 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001054057471 1247258029 /nfs/dbraw/zinc/25/80/29/1247258029.db2.gz MUYCGBFFSPVLSH-KRWDZBQOSA-N 1 2 334.423 2.077 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001054057471 1247258040 /nfs/dbraw/zinc/25/80/40/1247258040.db2.gz MUYCGBFFSPVLSH-KRWDZBQOSA-N 1 2 334.423 2.077 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(OC)cc1 ZINC001054059850 1247268909 /nfs/dbraw/zinc/26/89/09/1247268909.db2.gz ZCONLPCGXPLELL-LJQANCHMSA-N 1 2 334.419 2.485 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(OC)cc1 ZINC001054059850 1247268922 /nfs/dbraw/zinc/26/89/22/1247268922.db2.gz ZCONLPCGXPLELL-LJQANCHMSA-N 1 2 334.419 2.485 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001052470503 1247361961 /nfs/dbraw/zinc/36/19/61/1247361961.db2.gz DJYUURAHVQRZMR-CABCVRRESA-N 1 2 346.475 2.155 20 30 EEEDLO C#Cc1ccc(C(=O)NCC2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC001057808462 1247890201 /nfs/dbraw/zinc/89/02/01/1247890201.db2.gz XQPJEPNFWFEWPJ-UHFFFAOYSA-N 1 2 334.423 2.413 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(C(C)C)nn3C)cc2C1 ZINC001054288004 1248014158 /nfs/dbraw/zinc/01/41/58/1248014158.db2.gz GVLKUIOJKKCDAX-UHFFFAOYSA-N 1 2 336.439 2.422 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(C(C)C)nn3C)cc2C1 ZINC001054288004 1248014168 /nfs/dbraw/zinc/01/41/68/1248014168.db2.gz GVLKUIOJKKCDAX-UHFFFAOYSA-N 1 2 336.439 2.422 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3c(C)n(C)nc3Cl)cc2C1 ZINC001054290458 1248025509 /nfs/dbraw/zinc/02/55/09/1248025509.db2.gz CACOPHPVMWPVET-UHFFFAOYSA-N 1 2 342.830 2.261 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3c(C)n(C)nc3Cl)cc2C1 ZINC001054290458 1248025513 /nfs/dbraw/zinc/02/55/13/1248025513.db2.gz CACOPHPVMWPVET-UHFFFAOYSA-N 1 2 342.830 2.261 20 30 EEEDLO Cc1nc(N2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c(C)c(C)[nH+]1 ZINC001058142463 1248533138 /nfs/dbraw/zinc/53/31/38/1248533138.db2.gz FGYQOIAJOHONMA-HNNXBMFYSA-N 1 2 338.415 2.000 20 30 EEEDLO C[C@H]1C[C@H](CNc2cccc(F)c2C#N)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001068376531 1250927812 /nfs/dbraw/zinc/92/78/12/1250927812.db2.gz VZPUTDFAKNANCQ-QWHCGFSZSA-N 1 2 341.390 2.312 20 30 EEEDLO C[C@@H]1[C@@H](Nc2cccc(F)c2C#N)CCN1C(=O)Cc1c[nH+]cn1C ZINC001068871972 1251824850 /nfs/dbraw/zinc/82/48/50/1251824850.db2.gz BXDKGUSZQITKDO-WBMJQRKESA-N 1 2 341.390 2.075 20 30 EEEDLO C=CCCCC(=O)NC1(CC)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001069645254 1253084403 /nfs/dbraw/zinc/08/44/03/1253084403.db2.gz QRGYVUQMBSZFKA-UHFFFAOYSA-N 1 2 332.448 2.196 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001069759710 1253232192 /nfs/dbraw/zinc/23/21/92/1253232192.db2.gz GJVJNFHRTIOXNX-IBGZPJMESA-N 1 2 344.459 2.081 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001070932788 1253865703 /nfs/dbraw/zinc/86/57/03/1253865703.db2.gz GYBSKUVWZMILCG-IAGOWNOFSA-N 1 2 346.475 2.373 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2C)CC[C@@H]1C ZINC001071515573 1254304741 /nfs/dbraw/zinc/30/47/41/1254304741.db2.gz VQFQDYVPZWENME-QWRGUYRKSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2C)CC[C@@H]1C ZINC001071515573 1254304746 /nfs/dbraw/zinc/30/47/46/1254304746.db2.gz VQFQDYVPZWENME-QWRGUYRKSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnn3ccncc23)CC[C@H]1C ZINC001071571932 1254352505 /nfs/dbraw/zinc/35/25/05/1254352505.db2.gz NVBCRFNEWSNNPR-OLZOCXBDSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnn3ccncc23)CC[C@H]1C ZINC001071571932 1254352516 /nfs/dbraw/zinc/35/25/16/1254352516.db2.gz NVBCRFNEWSNNPR-OLZOCXBDSA-N 1 2 333.823 2.065 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3nocc3C)C2)cn1 ZINC001072002531 1254864041 /nfs/dbraw/zinc/86/40/41/1254864041.db2.gz LTTCZPGJPJTDCL-PBHICJAKSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3nocc3C)C2)cn1 ZINC001072002531 1254864052 /nfs/dbraw/zinc/86/40/52/1254864052.db2.gz LTTCZPGJPJTDCL-PBHICJAKSA-N 1 2 338.411 2.142 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC(C)(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001073034194 1255592036 /nfs/dbraw/zinc/59/20/36/1255592036.db2.gz IAIVQEXKKSKXAJ-UHFFFAOYSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC(C)(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001073034194 1255592043 /nfs/dbraw/zinc/59/20/43/1255592043.db2.gz IAIVQEXKKSKXAJ-UHFFFAOYSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001073169920 1255744201 /nfs/dbraw/zinc/74/42/01/1255744201.db2.gz MOPGLATVEYHWIV-MRXNPFEDSA-N 1 2 346.475 2.373 20 30 EEEDLO C=CCCC1(C(=O)N2CCC(C)(NC(=O)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001073241969 1255801843 /nfs/dbraw/zinc/80/18/43/1255801843.db2.gz QQVFDKFAZUDPTP-UHFFFAOYSA-N 1 2 344.459 2.196 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001074099019 1256708370 /nfs/dbraw/zinc/70/83/70/1256708370.db2.gz OPBFTTCDNNGLLH-HIFRSBDPSA-N 1 2 346.475 2.216 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc4cccnc43)C[C@H]21 ZINC001074289937 1256862747 /nfs/dbraw/zinc/86/27/47/1256862747.db2.gz UNNHZCWRRHCIQO-MOPGFXCFSA-N 1 2 349.434 2.173 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc4cccnc43)C[C@H]21 ZINC001074289937 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C=CCN(C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000840980990 1315450933 /nfs/dbraw/zinc/45/09/33/1315450933.db2.gz NOTCLYOVPGQKEB-QGZVFWFLSA-N 1 2 343.471 2.142 20 30 EEEDLO C=CCN(C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000840980990 1315450938 /nfs/dbraw/zinc/45/09/38/1315450938.db2.gz NOTCLYOVPGQKEB-QGZVFWFLSA-N 1 2 343.471 2.142 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)n2cccc2)C1 ZINC001149588521 1315994700 /nfs/dbraw/zinc/99/47/00/1315994700.db2.gz MENQZZPPSWXMSO-LSDHHAIUSA-N 1 2 325.840 2.009 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)n2cccc2)C1 ZINC001149588521 1315994704 /nfs/dbraw/zinc/99/47/04/1315994704.db2.gz MENQZZPPSWXMSO-LSDHHAIUSA-N 1 2 325.840 2.009 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[N@H+](Cc2nocc2C)CCCO1 ZINC001150080369 1316148038 /nfs/dbraw/zinc/14/80/38/1316148038.db2.gz ZXNOXKNRXIYZGX-HNNXBMFYSA-N 1 2 335.448 2.292 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[N@@H+](Cc2nocc2C)CCCO1 ZINC001150080369 1316148044 /nfs/dbraw/zinc/14/80/44/1316148044.db2.gz ZXNOXKNRXIYZGX-HNNXBMFYSA-N 1 2 335.448 2.292 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccn(CC)n2)CCCO1 ZINC001150371097 1316245784 /nfs/dbraw/zinc/24/57/84/1316245784.db2.gz GDZNUZNSPBBVCK-QGZVFWFLSA-N 1 2 348.491 2.212 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccn(CC)n2)CCCO1 ZINC001150371097 1316245788 /nfs/dbraw/zinc/24/57/88/1316245788.db2.gz GDZNUZNSPBBVCK-QGZVFWFLSA-N 1 2 348.491 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CCc2nccs2)C1 ZINC001150752953 1316364761 /nfs/dbraw/zinc/36/47/61/1316364761.db2.gz ODPSFODNHULGDH-CYBMUJFWSA-N 1 2 343.880 2.035 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CCc2nccs2)C1 ZINC001150752953 1316364762 /nfs/dbraw/zinc/36/47/62/1316364762.db2.gz ODPSFODNHULGDH-CYBMUJFWSA-N 1 2 343.880 2.035 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)CCc2ccc(C)o2)C1 ZINC001150771828 1316369538 /nfs/dbraw/zinc/36/95/38/1316369538.db2.gz PBKWZMKTHSWJKS-INIZCTEOSA-N 1 2 340.851 2.480 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)CCc2ccc(C)o2)C1 ZINC001150771828 1316369542 /nfs/dbraw/zinc/36/95/42/1316369542.db2.gz PBKWZMKTHSWJKS-INIZCTEOSA-N 1 2 340.851 2.480 20 30 EEEDLO C#CCCCCC(=O)NC1(CCOC)CC[NH+](Cc2ccon2)CC1 ZINC001151079929 1316444970 /nfs/dbraw/zinc/44/49/70/1316444970.db2.gz IWSYSZBQSPTPLB-UHFFFAOYSA-N 1 2 347.459 2.356 20 30 EEEDLO C=CC[C@@H](Cc1ccccc1)C(=O)NCC[NH2+]Cc1csnn1 ZINC001151922503 1316609061 /nfs/dbraw/zinc/60/90/61/1316609061.db2.gz AOSJBGXRKCBRGA-HNNXBMFYSA-N 1 2 330.457 2.179 20 30 EEEDLO C=CC[C@@H](Cc1ccccc1)C(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001151923368 1316609462 /nfs/dbraw/zinc/60/94/62/1316609462.db2.gz XMYGMHVXEJCYAR-INIZCTEOSA-N 1 2 342.443 2.273 20 30 EEEDLO C=C[C@@H](C(=O)NCC[NH2+]Cc1nc(C(F)F)no1)c1ccccc1 ZINC001151989884 1316617104 /nfs/dbraw/zinc/61/71/04/1316617104.db2.gz APYYDBICRWAVBJ-GFCCVEGCSA-N 1 2 336.342 2.183 20 30 EEEDLO CN(C)[C@H](C(=O)NCC[NH2+]Cc1ccccc1C#N)c1ccccc1 ZINC001152529024 1316683640 /nfs/dbraw/zinc/68/36/40/1316683640.db2.gz OGZOMDHZFWBMQR-IBGZPJMESA-N 1 2 336.439 2.067 20 30 EEEDLO C#CCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1nnc(-c2ccco2)o1 ZINC001153031043 1316763258 /nfs/dbraw/zinc/76/32/58/1316763258.db2.gz UBIZYVDZAUNQCC-CQSZACIVSA-N 1 2 344.415 2.460 20 30 EEEDLO C#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nnc(-c2ccco2)o1 ZINC001153031043 1316763261 /nfs/dbraw/zinc/76/32/61/1316763261.db2.gz UBIZYVDZAUNQCC-CQSZACIVSA-N 1 2 344.415 2.460 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccn3)C2)c1F ZINC001249694103 1317155149 /nfs/dbraw/zinc/15/51/49/1317155149.db2.gz WJVGRDYWVZTRNP-MRXNPFEDSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccccn3)C2)c1F ZINC001249694103 1317155151 /nfs/dbraw/zinc/15/51/51/1317155151.db2.gz WJVGRDYWVZTRNP-MRXNPFEDSA-N 1 2 338.386 2.487 20 30 EEEDLO CCOC(=O)[C@H](CO)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254346602 1318049696 /nfs/dbraw/zinc/04/96/96/1318049696.db2.gz RPWTWVWRYVRMPT-PQUAAJSLSA-N 1 2 334.391 2.043 20 30 EEEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257572830 1319025045 /nfs/dbraw/zinc/02/50/45/1319025045.db2.gz WWNJDCDOHOPOKT-RNJOBUHISA-N 1 2 346.493 2.224 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nccc(C)n1 ZINC001158966274 1319534645 /nfs/dbraw/zinc/53/46/45/1319534645.db2.gz CLYJHFAPXJLUMK-DLBZAZTESA-N 1 2 346.475 2.189 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nccc(C)n1 ZINC001158966274 1319534650 /nfs/dbraw/zinc/53/46/50/1319534650.db2.gz CLYJHFAPXJLUMK-DLBZAZTESA-N 1 2 346.475 2.189 20 30 EEEDLO C#CCC1(C(=O)NCCC2=CC[N@H+](Cc3nccn3C)CC2)CCC1 ZINC001160330915 1320135424 /nfs/dbraw/zinc/13/54/24/1320135424.db2.gz NPHZANKYYNGUTQ-UHFFFAOYSA-N 1 2 340.471 2.252 20 30 EEEDLO C#CCC1(C(=O)NCCC2=CC[N@@H+](Cc3nccn3C)CC2)CCC1 ZINC001160330915 1320135425 /nfs/dbraw/zinc/13/54/25/1320135425.db2.gz NPHZANKYYNGUTQ-UHFFFAOYSA-N 1 2 340.471 2.252 20 30 EEEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@H+]([C@H](C)c2nncn2C)CC1 ZINC001160888409 1320306278 /nfs/dbraw/zinc/30/62/78/1320306278.db2.gz XAQMOKLJCQVHPY-CQSZACIVSA-N 1 2 331.464 2.227 20 30 EEEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2nncn2C)CC1 ZINC001160888409 1320306283 /nfs/dbraw/zinc/30/62/83/1320306283.db2.gz XAQMOKLJCQVHPY-CQSZACIVSA-N 1 2 331.464 2.227 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nc(C)no2)CC1 ZINC001161977972 1320704845 /nfs/dbraw/zinc/70/48/45/1320704845.db2.gz IUCGKVSIAUIKRH-UONOGXRCSA-N 1 2 348.447 2.169 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2nc(C)no2)CC1 ZINC001161977972 1320704846 /nfs/dbraw/zinc/70/48/46/1320704846.db2.gz IUCGKVSIAUIKRH-UONOGXRCSA-N 1 2 348.447 2.169 20 30 EEEDLO Cc1cnc(C[NH2+]CCN(CCc2ccccc2)C(=O)[C@@H](C)C#N)o1 ZINC001162740949 1320946433 /nfs/dbraw/zinc/94/64/33/1320946433.db2.gz BPMLLNNNODFDJN-HNNXBMFYSA-N 1 2 340.427 2.304 20 30 EEEDLO CC(C)(C)[C@H](C[NH+]1CCOCC1)Nc1nc(C#N)ccc1[N+](=O)[O-] ZINC001162875446 1320979123 /nfs/dbraw/zinc/97/91/23/1320979123.db2.gz DEKQHZUGEFMUPJ-AWEZNQCLSA-N 1 2 333.392 2.020 20 30 EEEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCn4nc(C(F)(F)F)nc4C3)c12 ZINC001163717428 1321201572 /nfs/dbraw/zinc/20/15/72/1321201572.db2.gz REFXLSKJGLHLQB-UHFFFAOYSA-N 1 2 333.277 2.065 20 30 EEEDLO N#C[C@@H]1C[NH2+]CCN1c1cc(-c2nc(-c3cccs3)no2)ccn1 ZINC001164662549 1321443475 /nfs/dbraw/zinc/44/34/75/1321443475.db2.gz ZWMDNNNQLIFMLR-GFCCVEGCSA-N 1 2 338.396 2.162 20 30 EEEDLO C=CCOC[C@H]1CN(Cc2[nH]c[nH+]c2C)Cc2nnn(CC3CC3)c21 ZINC001204594318 1322192365 /nfs/dbraw/zinc/19/23/65/1322192365.db2.gz WLCGRJIJLLIWOE-OAHLLOKOSA-N 1 2 342.447 2.022 20 30 EEEDLO C#CCN(CC)c1nnc(C[NH+]2CCCCC2)n1CCCOCC ZINC001263357922 1322469426 /nfs/dbraw/zinc/46/94/26/1322469426.db2.gz UZKWBSFNDNRSCQ-UHFFFAOYSA-N 1 2 333.480 2.150 20 30 EEEDLO Cn1cc(CN2CCC23C[NH+](Cc2cc4cc[nH]c4cn2)C3)cc1C#N ZINC001279305182 1323870043 /nfs/dbraw/zinc/87/00/43/1323870043.db2.gz OGAPYTIFKLSIGL-UHFFFAOYSA-N 1 2 346.438 2.233 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cncc(OC)n2)C[C@H]1C ZINC001207172231 1323895493 /nfs/dbraw/zinc/89/54/93/1323895493.db2.gz RVMSTNRJEQWPMR-UKRRQHHQSA-N 1 2 332.448 2.024 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cncc(OC)n2)C[C@H]1C ZINC001207172231 1323895498 /nfs/dbraw/zinc/89/54/98/1323895498.db2.gz RVMSTNRJEQWPMR-UKRRQHHQSA-N 1 2 332.448 2.024 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)cccc1C ZINC001316601555 1324097095 /nfs/dbraw/zinc/09/70/95/1324097095.db2.gz CUQPBKITMRUGOB-SJORKVTESA-N 1 2 343.471 2.140 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)cccc1C ZINC001316601555 1324097102 /nfs/dbraw/zinc/09/71/02/1324097102.db2.gz CUQPBKITMRUGOB-SJORKVTESA-N 1 2 343.471 2.140 20 30 EEEDLO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2CC(=O)N(CC)C2CC2)CCC1 ZINC001316601645 1324101361 /nfs/dbraw/zinc/10/13/61/1324101361.db2.gz DCEAUWQCXNXJJU-KRWDZBQOSA-N 1 2 347.503 2.276 20 30 EEEDLO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC(=O)N(CC)C2CC2)CCC1 ZINC001316601645 1324101363 /nfs/dbraw/zinc/10/13/63/1324101363.db2.gz DCEAUWQCXNXJJU-KRWDZBQOSA-N 1 2 347.503 2.276 20 30 EEEDLO C=CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC001316602479 1324138847 /nfs/dbraw/zinc/13/88/47/1324138847.db2.gz AJUWLAGBLTUGGC-IRXDYDNUSA-N 1 2 335.492 2.134 20 30 EEEDLO C=CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC001316602479 1324138853 /nfs/dbraw/zinc/13/88/53/1324138853.db2.gz AJUWLAGBLTUGGC-IRXDYDNUSA-N 1 2 335.492 2.134 20 30 EEEDLO C#CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001207934277 1324220284 /nfs/dbraw/zinc/22/02/84/1324220284.db2.gz AYZNPYGGYHCDQP-OAHLLOKOSA-N 1 2 330.432 2.221 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nnc(C)o2)C[C@H]1C ZINC001208315176 1324416725 /nfs/dbraw/zinc/41/67/25/1324416725.db2.gz NLMCMJLJQVMURU-IIAWOOMASA-N 1 2 332.448 2.459 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nnc(C)o2)C[C@H]1C ZINC001208315176 1324416729 /nfs/dbraw/zinc/41/67/29/1324416729.db2.gz NLMCMJLJQVMURU-IIAWOOMASA-N 1 2 332.448 2.459 20 30 EEEDLO Cc1coc(Nc2ccc(NCC[NH+]3CCN(C)CC3)nc2)c1C#N ZINC001209815464 1325058132 /nfs/dbraw/zinc/05/81/32/1325058132.db2.gz CFLDQOPEJMPBIW-UHFFFAOYSA-N 1 2 340.431 2.258 20 30 EEEDLO CC#CC[N@@H+]1CCC2(CN(C(=O)c3cc(-c4ccccc4)[nH]n3)C2)C1 ZINC001313440949 1331803813 /nfs/dbraw/zinc/80/38/13/1331803813.db2.gz MFNQIVZNXNPWDY-UHFFFAOYSA-N 1 2 334.423 2.248 20 30 EEEDLO CC#CC[N@H+]1CCC2(CN(C(=O)c3cc(-c4ccccc4)[nH]n3)C2)C1 ZINC001313440949 1331803818 /nfs/dbraw/zinc/80/38/18/1331803818.db2.gz MFNQIVZNXNPWDY-UHFFFAOYSA-N 1 2 334.423 2.248 20 30 EEEDLO C#CCOCC[N@@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC001320282724 1332856275 /nfs/dbraw/zinc/85/62/75/1332856275.db2.gz WXVKIKLNPZCPBD-UHFFFAOYSA-N 1 2 340.177 2.174 20 30 EEEDLO C#CCOCC[N@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC001320282724 1332856277 /nfs/dbraw/zinc/85/62/77/1332856277.db2.gz WXVKIKLNPZCPBD-UHFFFAOYSA-N 1 2 340.177 2.174 20 30 EEEDLO C=C[C@@H](COC)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC001324589846 1333716501 /nfs/dbraw/zinc/71/65/01/1333716501.db2.gz ZZRWLBUYRRBJMI-NSHDSACASA-N 1 2 337.221 2.320 20 30 EEEDLO C=CCC[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC001337318395 1336682843 /nfs/dbraw/zinc/68/28/43/1336682843.db2.gz SOSJOYALCICCGJ-AWEZNQCLSA-N 1 2 330.432 2.352 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc(Cc2[nH+]ccn2Cc2ccccc2)n1C ZINC001338717468 1336898738 /nfs/dbraw/zinc/89/87/38/1336898738.db2.gz LWXHXERGDCRCSN-HNNXBMFYSA-N 1 2 334.427 2.109 20 30 EEEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](C)C1 ZINC001338995527 1336942494 /nfs/dbraw/zinc/94/24/94/1336942494.db2.gz QWFXTCTTXSMDPC-OAHLLOKOSA-N 1 2 328.464 2.403 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3C)n2C)CC1 ZINC001339834380 1337081921 /nfs/dbraw/zinc/08/19/21/1337081921.db2.gz SCJBLNIWDPVBKF-UHFFFAOYSA-N 1 2 329.835 2.199 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NCCN(C)c1nc(C)[nH+]c(C)c1C ZINC001100238853 1338199073 /nfs/dbraw/zinc/19/90/73/1338199073.db2.gz UWFNJHCSNZOEEP-GOSISDBHSA-N 1 2 334.464 2.183 20 30 EEEDLO N#Cc1ccc(C[NH2+]C2CC(CNC(=O)C(F)C(F)(F)F)C2)cc1 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C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N(C)Cc1ccn(C)n1 ZINC001342342862 1372946890 /nfs/dbraw/zinc/94/68/90/1372946890.db2.gz WVSGNSHEIITDNE-UHFFFAOYSA-N 1 2 343.479 2.210 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@H](COC)C1 ZINC001357134454 1373209380 /nfs/dbraw/zinc/20/93/80/1373209380.db2.gz IDQNWFWJWRSNML-MRXNPFEDSA-N 1 2 333.480 2.313 20 30 EEEDLO C[N@H+](CCNC(=O)Cc1ccc(F)cn1)Cc1cc(C#N)ccc1F ZINC001366541720 1373942479 /nfs/dbraw/zinc/94/24/79/1373942479.db2.gz DPMPUNBOEWTUCA-UHFFFAOYSA-N 1 2 344.365 2.022 20 30 EEEDLO C[N@@H+](CCNC(=O)Cc1ccc(F)cn1)Cc1cc(C#N)ccc1F ZINC001366541720 1373942482 /nfs/dbraw/zinc/94/24/82/1373942482.db2.gz DPMPUNBOEWTUCA-UHFFFAOYSA-N 1 2 344.365 2.022 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)CSC(C)C)C1 ZINC001367022172 1374082744 /nfs/dbraw/zinc/08/27/44/1374082744.db2.gz GYSYCPNCWOHTGM-MRXNPFEDSA-N 1 2 347.484 2.399 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)CSC(C)C)C1 ZINC001367022172 1374082746 /nfs/dbraw/zinc/08/27/46/1374082746.db2.gz GYSYCPNCWOHTGM-MRXNPFEDSA-N 1 2 347.484 2.399 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001368225736 1374351863 /nfs/dbraw/zinc/35/18/63/1374351863.db2.gz CPVSCQCRBGQLJF-KRWDZBQOSA-N 1 2 337.851 2.268 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001368225736 1374351870 /nfs/dbraw/zinc/35/18/70/1374351870.db2.gz CPVSCQCRBGQLJF-KRWDZBQOSA-N 1 2 337.851 2.268 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC2(O)CCC2)C[C@@H]1C ZINC001368695275 1374450478 /nfs/dbraw/zinc/45/04/78/1374450478.db2.gz OSLGNWWBISBDIO-STQMWFEESA-N 1 2 345.281 2.169 20 30 EEEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)C[C@@H]3CCCOC3)C2)ccc1F ZINC001378026014 1379651070 /nfs/dbraw/zinc/65/10/70/1379651070.db2.gz OBZWVRJLGWFQBW-HNNXBMFYSA-N 1 2 345.418 2.062 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1cccc(OCC)n1 ZINC001381559680 1381653520 /nfs/dbraw/zinc/65/35/20/1381653520.db2.gz UKZHWGPJQGQGFT-ZDUSSCGKSA-N 1 2 325.840 2.212 20 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2.017 20 30 EEEDLO CC[C@@H](C)C(=O)N(C)CC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001400189656 1396031342 /nfs/dbraw/zinc/03/13/42/1396031342.db2.gz BXQDVUBNVMBOKM-QGZVFWFLSA-N 1 2 342.487 2.180 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC1C[NH+](Cc2ccc(Br)s2)C1 ZINC001400459998 1396359011 /nfs/dbraw/zinc/35/90/11/1396359011.db2.gz CJMBHWKGZGZDBL-VIFPVBQESA-N 1 2 342.262 2.218 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccsc1 ZINC001754472166 1406915431 /nfs/dbraw/zinc/91/54/31/1406915431.db2.gz LDYYVEZUNYLIOW-GOEBONIOSA-N 1 2 349.500 2.365 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1ccsc1 ZINC001754472166 1406915432 /nfs/dbraw/zinc/91/54/32/1406915432.db2.gz LDYYVEZUNYLIOW-GOEBONIOSA-N 1 2 349.500 2.365 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(C)C1C[NH+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC001754580546 1406930174 /nfs/dbraw/zinc/93/01/74/1406930174.db2.gz DIIDNJITGGCDAP-ICSRJNTNSA-N 1 2 348.462 2.474 20 30 EEEDLO C#CCCCCCC(=O)N1C[C@H]([NH2+]Cc2nnc(C3CC3)o2)[C@@H](C)C1 ZINC001755114172 1407124750 /nfs/dbraw/zinc/12/47/50/1407124750.db2.gz LXLUHTFTJJVAFR-HOCLYGCPSA-N 1 2 344.459 2.467 20 30 EEEDLO C=C(Cl)C[NH2+][C@H](C)[C@@H]1CN(C(=O)c2cccc3n[nH]cc32)CCO1 ZINC001425353182 1401545717 /nfs/dbraw/zinc/54/57/17/1401545717.db2.gz HDTOVVCZXHDSIF-WBMJQRKESA-N 1 2 348.834 2.135 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC2CCCCC2)C1 ZINC001755377560 1407382302 /nfs/dbraw/zinc/38/23/02/1407382302.db2.gz VTHRXJJNRLMICT-INIZCTEOSA-N 1 2 349.519 2.476 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2noc3c2CCCC3)CC1(C)C ZINC001755405011 1407410691 /nfs/dbraw/zinc/41/06/91/1407410691.db2.gz DFDUELMDACVEKK-QGZVFWFLSA-N 1 2 347.459 2.083 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2noc3c2CCCC3)CC1(C)C ZINC001755405011 1407410697 /nfs/dbraw/zinc/41/06/97/1407410697.db2.gz DFDUELMDACVEKK-QGZVFWFLSA-N 1 2 347.459 2.083 20 30 EEEDLO COc1ccc(Br)cc1NC[C@H](O)C[N@H+](C)CCC#N ZINC001645858105 1404866774 /nfs/dbraw/zinc/86/67/74/1404866774.db2.gz XOEBRBYNZLAYDL-LBPRGKRZSA-N 1 2 342.237 2.076 20 30 EEEDLO COc1ccc(Br)cc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC001645858105 1404866783 /nfs/dbraw/zinc/86/67/83/1404866783.db2.gz XOEBRBYNZLAYDL-LBPRGKRZSA-N 1 2 342.237 2.076 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2cccs2)C1 ZINC001692119512 1404982037 /nfs/dbraw/zinc/98/20/37/1404982037.db2.gz YCFDBTVVKGUGTF-GJZGRUSLSA-N 1 2 349.500 2.472 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2cccs2)C1 ZINC001692119512 1404982045 /nfs/dbraw/zinc/98/20/45/1404982045.db2.gz YCFDBTVVKGUGTF-GJZGRUSLSA-N 1 2 349.500 2.472 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC001732091869 1405928086 /nfs/dbraw/zinc/92/80/86/1405928086.db2.gz GKERWUFJNUDNNP-INIZCTEOSA-N 1 2 335.492 2.228 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC001732091869 1405928097 /nfs/dbraw/zinc/92/80/97/1405928097.db2.gz GKERWUFJNUDNNP-INIZCTEOSA-N 1 2 335.492 2.228 20 30 EEEDLO C=CCCC(=O)N1CC2(C1)CCC[N@@H+](Cc1cn(C(C)C)nn1)C2 ZINC001755454549 1407475968 /nfs/dbraw/zinc/47/59/68/1407475968.db2.gz IJTZZJJHCKNKLT-UHFFFAOYSA-N 1 2 331.464 2.250 20 30 EEEDLO C=CCCC(=O)N1CC2(C1)CCC[N@H+](Cc1cn(C(C)C)nn1)C2 ZINC001755454549 1407475971 /nfs/dbraw/zinc/47/59/71/1407475971.db2.gz IJTZZJJHCKNKLT-UHFFFAOYSA-N 1 2 331.464 2.250 20 30 EEEDLO CC#CCCCC(=O)N1CC[C@H]([NH2+]Cc2nc(C(C)C)no2)[C@H]1C ZINC001755660072 1407711097 /nfs/dbraw/zinc/71/10/97/1407711097.db2.gz XNTGNTACSKIQAJ-CABCVRRESA-N 1 2 332.448 2.466 20 30 EEEDLO Cc1ncc(C[N@H+]2CCC[C@@H](NC(=O)C#CC(C)(C)C)[C@H]2C)cn1 ZINC001755718972 1407778428 /nfs/dbraw/zinc/77/84/28/1407778428.db2.gz SDMOFASLPBAUOV-RHSMWYFYSA-N 1 2 328.460 2.304 20 30 EEEDLO Cc1ncc(C[N@@H+]2CCC[C@@H](NC(=O)C#CC(C)(C)C)[C@H]2C)cn1 ZINC001755718972 1407778432 /nfs/dbraw/zinc/77/84/32/1407778432.db2.gz SDMOFASLPBAUOV-RHSMWYFYSA-N 1 2 328.460 2.304 20 30 EEEDLO C=CCCC(=O)NCC1=CC[N@H+](Cc2cc3n(n2)CCCC3)CC1 ZINC001755882390 1407938829 /nfs/dbraw/zinc/93/88/29/1407938829.db2.gz FUOYOULBCLOYFZ-UHFFFAOYSA-N 1 2 328.460 2.434 20 30 EEEDLO C=CCCC(=O)NCC1=CC[N@@H+](Cc2cc3n(n2)CCCC3)CC1 ZINC001755882390 1407938832 /nfs/dbraw/zinc/93/88/32/1407938832.db2.gz FUOYOULBCLOYFZ-UHFFFAOYSA-N 1 2 328.460 2.434 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NCC1=CC[N@H+](Cc2coc(C)n2)CC1 ZINC001755882791 1407940109 /nfs/dbraw/zinc/94/01/09/1407940109.db2.gz RLDLHIXZHMQUGX-AWEZNQCLSA-N 1 2 333.432 2.213 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NCC1=CC[N@@H+](Cc2coc(C)n2)CC1 ZINC001755882791 1407940113 /nfs/dbraw/zinc/94/01/13/1407940113.db2.gz RLDLHIXZHMQUGX-AWEZNQCLSA-N 1 2 333.432 2.213 20 30 EEEDLO C=CCCOCC(=O)NCC1=CC[N@H+](Cc2csc(C)n2)CC1 ZINC001755899382 1407973854 /nfs/dbraw/zinc/97/38/54/1407973854.db2.gz NFACBGSLIXLJNI-UHFFFAOYSA-N 1 2 335.473 2.293 20 30 EEEDLO C=CCCOCC(=O)NCC1=CC[N@@H+](Cc2csc(C)n2)CC1 ZINC001755899382 1407973862 /nfs/dbraw/zinc/97/38/62/1407973862.db2.gz NFACBGSLIXLJNI-UHFFFAOYSA-N 1 2 335.473 2.293 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H](C)N(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001756066576 1408115845 /nfs/dbraw/zinc/11/58/45/1408115845.db2.gz OCDXQEIDOQTNIC-HNAYVOBHSA-N 1 2 348.491 2.492 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H](C)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001756475860 1408723255 /nfs/dbraw/zinc/72/32/55/1408723255.db2.gz MDDGNBALNIISLA-HUUCEWRRSA-N 1 2 346.475 2.011 20 30 EEEDLO C=CCCC(=O)N[C@@]12CCC[C@@H]1N(C(=O)C(C)(C)c1c[nH+]c[nH]1)CC2 ZINC001756609671 1409135297 /nfs/dbraw/zinc/13/52/97/1409135297.db2.gz SGRHXWLGVJHFCD-HNAYVOBHSA-N 1 2 344.459 2.293 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@@]2(NC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001756616507 1409145189 /nfs/dbraw/zinc/14/51/89/1409145189.db2.gz PJCJUTTZGPPHMT-OGWOLHLISA-N 1 2 344.459 2.194 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001756867304 1409420221 /nfs/dbraw/zinc/42/02/21/1409420221.db2.gz GMIOOXGIOUUOGZ-JKSUJKDBSA-N 1 2 346.475 2.394 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001757265904 1409605041 /nfs/dbraw/zinc/60/50/41/1409605041.db2.gz LPKKPMNWQTVGDY-KLHDSHLOSA-N 1 2 344.459 2.413 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001757265904 1409605044 /nfs/dbraw/zinc/60/50/44/1409605044.db2.gz LPKKPMNWQTVGDY-KLHDSHLOSA-N 1 2 344.459 2.413 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@H]21 ZINC001757425737 1409708546 /nfs/dbraw/zinc/70/85/46/1409708546.db2.gz XIJQNVSNHSWRMY-XWIAVFTESA-N 1 2 344.459 2.050 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](CNc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001123758727 1410311403 /nfs/dbraw/zinc/31/14/03/1410311403.db2.gz BGQNXGHBAYZCPN-HUUCEWRRSA-N 1 2 343.475 2.128 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](CNc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001123758727 1410311409 /nfs/dbraw/zinc/31/14/09/1410311409.db2.gz BGQNXGHBAYZCPN-HUUCEWRRSA-N 1 2 343.475 2.128 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001112378062 1410890581 /nfs/dbraw/zinc/89/05/81/1410890581.db2.gz LDTBFXPJDXQBBK-ZFWWWQNUSA-N 1 2 332.448 2.097 20 30 EEEDLO Cc1ccnc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1C#N ZINC001165007985 721696355 /nfs/dbraw/zinc/69/63/55/721696355.db2.gz HXESETWCBGVECC-UHFFFAOYSA-N 1 2 339.447 2.104 20 30 EEEDLO Cc1ccnc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1C#N ZINC001165007985 721696359 /nfs/dbraw/zinc/69/63/59/721696359.db2.gz HXESETWCBGVECC-UHFFFAOYSA-N 1 2 339.447 2.104 20 30 EEEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2[nH]nc3c2C[C@@H](C)CC3)[C@H]1CC ZINC001087780335 782237811 /nfs/dbraw/zinc/23/78/11/782237811.db2.gz BTJBAQYZRDVAKY-RRQGHBQHSA-N 1 2 328.460 2.141 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3c2C[C@@H](C)CC3)[C@H]1CC ZINC001087780335 782237815 /nfs/dbraw/zinc/23/78/15/782237815.db2.gz BTJBAQYZRDVAKY-RRQGHBQHSA-N 1 2 328.460 2.141 20 30 EEEDLO Cc1cc(N2CCC[C@@H](NC(=O)[C@H](C)C#N)CC2)nc(C2CC2)[nH+]1 ZINC001111980532 761910798 /nfs/dbraw/zinc/91/07/98/761910798.db2.gz YUQSHMXMCMPLTO-IUODEOHRSA-N 1 2 327.432 2.297 20 30 EEEDLO Cc1nsc(NC[C@H](C)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1C#N ZINC001104233887 757369026 /nfs/dbraw/zinc/36/90/26/757369026.db2.gz JEYPMZJJSAUBHY-GHMZBOCLSA-N 1 2 346.460 2.089 20 30 EEEDLO Cc1nsc(NC[C@H](C)CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1C#N ZINC001104233887 757369037 /nfs/dbraw/zinc/36/90/37/757369037.db2.gz JEYPMZJJSAUBHY-GHMZBOCLSA-N 1 2 346.460 2.089 20 30 EEEDLO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CNc1cccc(F)c1C#N ZINC001104258831 757758776 /nfs/dbraw/zinc/75/87/76/757758776.db2.gz QQSGKDAFKLGGLW-YNEHKIRRSA-N 1 2 341.390 2.388 20 30 EEEDLO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CNc1cccc(F)c1C#N ZINC001104258831 757758777 /nfs/dbraw/zinc/75/87/77/757758777.db2.gz QQSGKDAFKLGGLW-YNEHKIRRSA-N 1 2 341.390 2.388 20 30 EEEDLO C[C@@H](CCCNc1ccc(C#N)cn1)NC(=O)CCCn1cc[nH+]c1 ZINC001114956818 757763986 /nfs/dbraw/zinc/76/39/86/757763986.db2.gz CUFGHYWTPZOVAR-HNNXBMFYSA-N 1 2 340.431 2.327 20 30 EEEDLO C#CCOCCC(=O)N1CC[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001098550849 759606715 /nfs/dbraw/zinc/60/67/15/759606715.db2.gz CSCCTAMXRDBMNS-MRXNPFEDSA-N 1 2 344.459 2.209 20 30 EEEDLO Cc1cc(NC2(CNC(=O)CSCC#N)CCC2)nc(C2CC2)[nH+]1 ZINC001111765565 760412292 /nfs/dbraw/zinc/41/22/92/760412292.db2.gz VVLKIHSXKQBUPC-UHFFFAOYSA-N 1 2 345.472 2.370 20 30 EEEDLO N#Cc1ccc(NC2(CNC(=O)CCn3cc[nH+]c3)CCCC2)cn1 ZINC001104421944 760497939 /nfs/dbraw/zinc/49/79/39/760497939.db2.gz REDRHYOURNLPPS-UHFFFAOYSA-N 1 2 338.415 2.081 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2C1 ZINC001083256217 760928696 /nfs/dbraw/zinc/92/86/96/760928696.db2.gz MFLXDXCUYCVUCL-LSDHHAIUSA-N 1 2 339.222 2.152 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(Cl)c(Cl)c3)[C@H]2C1 ZINC001083256217 760928701 /nfs/dbraw/zinc/92/87/01/760928701.db2.gz MFLXDXCUYCVUCL-LSDHHAIUSA-N 1 2 339.222 2.152 20 30 EEEDLO C=CCCC(=O)N1CCO[C@H](CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001111939016 761594527 /nfs/dbraw/zinc/59/45/27/761594527.db2.gz OFTROSFNPLBGNS-OAHLLOKOSA-N 1 2 344.459 2.269 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3n[nH]c4ccccc43)C(C)(C)[C@@H]21 ZINC001087316088 761607085 /nfs/dbraw/zinc/60/70/85/761607085.db2.gz MLAWJEZBUUMXBA-ZTFGCOKTSA-N 1 2 336.439 2.415 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3n[nH]c4ccccc43)C(C)(C)[C@@H]21 ZINC001087316088 761607089 /nfs/dbraw/zinc/60/70/89/761607089.db2.gz MLAWJEZBUUMXBA-ZTFGCOKTSA-N 1 2 336.439 2.415 20 30 EEEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc(C(C)(C)C)s3)[C@H]2C1 ZINC001083284729 764996719 /nfs/dbraw/zinc/99/67/19/764996719.db2.gz MKXDOJAPYASSCN-QWHCGFSZSA-N 1 2 335.473 2.152 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc(C(C)(C)C)s3)[C@H]2C1 ZINC001083284729 764996721 /nfs/dbraw/zinc/99/67/21/764996721.db2.gz MKXDOJAPYASSCN-QWHCGFSZSA-N 1 2 335.473 2.152 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(C)[C@@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001104769878 765253356 /nfs/dbraw/zinc/25/33/56/765253356.db2.gz GXUUNTTUVCUESC-OLZOCXBDSA-N 1 2 334.468 2.107 20 30 EEEDLO C=CCCC(=O)N[C@@H](CNc1ncnc2c1C[N@H+](C)CC2)C(C)(C)C ZINC001125867831 765270956 /nfs/dbraw/zinc/27/09/56/765270956.db2.gz NWUSULPZQURBCO-INIZCTEOSA-N 1 2 345.491 2.374 20 30 EEEDLO C=CCCC(=O)N[C@@H](CNc1ncnc2c1C[N@@H+](C)CC2)C(C)(C)C ZINC001125867831 765270959 /nfs/dbraw/zinc/27/09/59/765270959.db2.gz NWUSULPZQURBCO-INIZCTEOSA-N 1 2 345.491 2.374 20 30 EEEDLO C[C@@H](CNc1ncccc1C#N)N(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001104801512 765315835 /nfs/dbraw/zinc/31/58/35/765315835.db2.gz JFKJJXHEUQKHPJ-JSGCOSHPSA-N 1 2 338.415 2.055 20 30 EEEDLO CC(C)C[C@@H](CNc1ncccc1C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001104941525 765624080 /nfs/dbraw/zinc/62/40/80/765624080.db2.gz CGOLCHLARUCCCU-HNNXBMFYSA-N 1 2 340.431 2.252 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](CNc2cc[nH+]c(C)n2)CC(C)C)cn1 ZINC001104955631 765659141 /nfs/dbraw/zinc/65/91/41/765659141.db2.gz FNFJZJPHADLFCQ-QGZVFWFLSA-N 1 2 337.427 2.418 20 30 EEEDLO C=CCCC(=O)N1CC[C@H](Nc2ncnc3c2C[N@H+](C)CC3)[C@@H](C)C1 ZINC001105038623 768923525 /nfs/dbraw/zinc/92/35/25/768923525.db2.gz PTWFGFWJIBIZHP-HOCLYGCPSA-N 1 2 343.475 2.080 20 30 EEEDLO C=CCCC(=O)N1CC[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)[C@@H](C)C1 ZINC001105038623 768923530 /nfs/dbraw/zinc/92/35/30/768923530.db2.gz PTWFGFWJIBIZHP-HOCLYGCPSA-N 1 2 343.475 2.080 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001089438379 769179181 /nfs/dbraw/zinc/17/91/81/769179181.db2.gz FVMREOUZJMBPAN-RYUDHWBXSA-N 1 2 330.436 2.271 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)c1cccnc1 ZINC001031512645 769284526 /nfs/dbraw/zinc/28/45/26/769284526.db2.gz XKZIGEFCEICJRN-UHFFFAOYSA-N 1 2 339.826 2.448 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCCC[C@H](C)CC)C2)nn1 ZINC001105252612 769474098 /nfs/dbraw/zinc/47/40/98/769474098.db2.gz ZQEZELJKZHFXNO-MRXNPFEDSA-N 1 2 345.491 2.381 20 30 EEEDLO Cc1cc(C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)[nH]n1 ZINC001031561862 769678087 /nfs/dbraw/zinc/67/80/87/769678087.db2.gz CTJFEVRWGCZUMW-UHFFFAOYSA-N 1 2 342.830 2.085 20 30 EEEDLO Cc1nsc(NC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C)c1C#N ZINC001125943559 769691455 /nfs/dbraw/zinc/69/14/55/769691455.db2.gz ZYSAZUFEHFFQPV-ZDUSSCGKSA-N 1 2 346.460 2.163 20 30 EEEDLO Cc1conc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C(F)(F)F ZINC001112099742 769695748 /nfs/dbraw/zinc/69/57/48/769695748.db2.gz IPDAEAMKCRHNGJ-TZMCWYRMSA-N 1 2 343.349 2.121 20 30 EEEDLO C[C@@H](C[C@H](C)Nc1ncc(C#N)cc1F)NC(=O)CCc1c[nH]c[nH+]1 ZINC001089499130 769914670 /nfs/dbraw/zinc/91/46/70/769914670.db2.gz LABXSBFCYMBXBE-RYUDHWBXSA-N 1 2 344.394 2.143 20 30 EEEDLO C[C@@H](C[C@H](C)Nc1ncc(C#N)cc1F)NC(=O)CCc1c[nH+]c[nH]1 ZINC001089499130 769914678 /nfs/dbraw/zinc/91/46/78/769914678.db2.gz LABXSBFCYMBXBE-RYUDHWBXSA-N 1 2 344.394 2.143 20 30 EEEDLO Cc1cccnc1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031606531 770164639 /nfs/dbraw/zinc/16/46/39/770164639.db2.gz MFKQXZNPHHEOCM-UHFFFAOYSA-N 1 2 338.386 2.263 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)no3)C[C@H]2C)CC1 ZINC000942599755 782821485 /nfs/dbraw/zinc/82/14/85/782821485.db2.gz FBXDRMZHRBRSLQ-CJNGLKHVSA-N 1 2 332.448 2.451 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)no3)C[C@H]2C)CC1 ZINC000942599755 782821493 /nfs/dbraw/zinc/82/14/93/782821493.db2.gz FBXDRMZHRBRSLQ-CJNGLKHVSA-N 1 2 332.448 2.451 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)c(C)s1 ZINC001027811827 770447006 /nfs/dbraw/zinc/44/70/06/770447006.db2.gz AOBPWMGTIIMILI-CQSZACIVSA-N 1 2 343.456 2.354 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)c(C)s1 ZINC001027811827 770447010 /nfs/dbraw/zinc/44/70/10/770447010.db2.gz AOBPWMGTIIMILI-CQSZACIVSA-N 1 2 343.456 2.354 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(CC)no3)CC[C@@H]2C1 ZINC001088066728 782844062 /nfs/dbraw/zinc/84/40/62/782844062.db2.gz XAGQAEWRERTLHD-KGLIPLIRSA-N 1 2 332.448 2.125 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(CC)no3)CC[C@@H]2C1 ZINC001088066728 782844068 /nfs/dbraw/zinc/84/40/68/782844068.db2.gz XAGQAEWRERTLHD-KGLIPLIRSA-N 1 2 332.448 2.125 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001089691925 774384619 /nfs/dbraw/zinc/38/46/19/774384619.db2.gz BYAJOBJSRDQZCC-CABCVRRESA-N 1 2 344.459 2.032 20 30 EEEDLO CCN(c1snc(C)c1C#N)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001089767626 774955631 /nfs/dbraw/zinc/95/56/31/774955631.db2.gz NUNASMSFWXHCTL-LLVKDONJSA-N 1 2 346.460 2.010 20 30 EEEDLO CCN(c1snc(C)c1C#N)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001089767626 774955637 /nfs/dbraw/zinc/95/56/37/774955637.db2.gz NUNASMSFWXHCTL-LLVKDONJSA-N 1 2 346.460 2.010 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn(C)nc2-c2ccco2)C1 ZINC000950048357 775527038 /nfs/dbraw/zinc/52/70/38/775527038.db2.gz JTONSLXSLYLEHE-UHFFFAOYSA-N 1 2 328.416 2.403 20 30 EEEDLO Cn1ccc(C(=O)N2CCC[N@H+](Cc3cc(C#N)ccc3F)CC2)c1 ZINC000980969753 776227997 /nfs/dbraw/zinc/22/79/97/776227997.db2.gz ZURRHEZNDSTERV-UHFFFAOYSA-N 1 2 340.402 2.384 20 30 EEEDLO Cn1ccc(C(=O)N2CCC[N@@H+](Cc3cc(C#N)ccc3F)CC2)c1 ZINC000980969753 776227999 /nfs/dbraw/zinc/22/79/99/776227999.db2.gz ZURRHEZNDSTERV-UHFFFAOYSA-N 1 2 340.402 2.384 20 30 EEEDLO C[C@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981034241 776375123 /nfs/dbraw/zinc/37/51/23/776375123.db2.gz ZHTNHXZMADKSPM-QUCCMNQESA-N 1 2 340.467 2.388 20 30 EEEDLO C[C@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981034241 776375130 /nfs/dbraw/zinc/37/51/30/776375130.db2.gz ZHTNHXZMADKSPM-QUCCMNQESA-N 1 2 340.467 2.388 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2cnn3c2CCCC3)CC1 ZINC000981376354 777286739 /nfs/dbraw/zinc/28/67/39/777286739.db2.gz STVKOBGOGAOXPB-UHFFFAOYSA-N 1 2 336.867 2.049 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2cnn3c2CCCC3)CC1 ZINC000981376354 777286748 /nfs/dbraw/zinc/28/67/48/777286748.db2.gz STVKOBGOGAOXPB-UHFFFAOYSA-N 1 2 336.867 2.049 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OCC)n2)C[C@H]1OC ZINC001212347000 777936599 /nfs/dbraw/zinc/93/65/99/777936599.db2.gz NEOYACSUVDWQPX-IAGOWNOFSA-N 1 2 347.459 2.152 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(OCC)n2)C[C@H]1OC ZINC001212347000 777936607 /nfs/dbraw/zinc/93/66/07/777936607.db2.gz NEOYACSUVDWQPX-IAGOWNOFSA-N 1 2 347.459 2.152 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ncc(C)s2)c1 ZINC001028127658 778277471 /nfs/dbraw/zinc/27/74/71/778277471.db2.gz XJYKHYJBITWDJM-INIZCTEOSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ncc(C)s2)c1 ZINC001028127658 778277475 /nfs/dbraw/zinc/27/74/75/778277475.db2.gz XJYKHYJBITWDJM-INIZCTEOSA-N 1 2 340.452 2.222 20 30 EEEDLO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1)[C@H]1CCCO1 ZINC000981913549 778542581 /nfs/dbraw/zinc/54/25/81/778542581.db2.gz VFRNSWBQQHYDNR-VQIMIIECSA-N 1 2 341.455 2.408 20 30 EEEDLO C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1)[C@H]1CCCO1 ZINC000981913549 778542587 /nfs/dbraw/zinc/54/25/87/778542587.db2.gz VFRNSWBQQHYDNR-VQIMIIECSA-N 1 2 341.455 2.408 20 30 EEEDLO C#CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccon2)cc1 ZINC001028182903 778746019 /nfs/dbraw/zinc/74/60/19/778746019.db2.gz HQNBNPXQHCAPFT-QGZVFWFLSA-N 1 2 339.395 2.081 20 30 EEEDLO C#CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccon2)cc1 ZINC001028182903 778746023 /nfs/dbraw/zinc/74/60/23/778746023.db2.gz HQNBNPXQHCAPFT-QGZVFWFLSA-N 1 2 339.395 2.081 20 30 EEEDLO CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCc4[nH]ncc43)C[C@@]2(C)C1 ZINC000982281332 779528052 /nfs/dbraw/zinc/52/80/52/779528052.db2.gz TUBSGGGPBWKNCT-RYGJVYDSSA-N 1 2 340.471 2.023 20 30 EEEDLO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCc4[nH]ncc43)C[C@@]2(C)C1 ZINC000982281332 779528056 /nfs/dbraw/zinc/52/80/56/779528056.db2.gz TUBSGGGPBWKNCT-RYGJVYDSSA-N 1 2 340.471 2.023 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1nc2ccccn2c1F ZINC001028242057 779583288 /nfs/dbraw/zinc/58/32/88/779583288.db2.gz AJJDGGDTKNAOIZ-LBPRGKRZSA-N 1 2 336.798 2.420 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1nc2ccccn2c1F ZINC001028242057 779583293 /nfs/dbraw/zinc/58/32/93/779583293.db2.gz AJJDGGDTKNAOIZ-LBPRGKRZSA-N 1 2 336.798 2.420 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000941386740 780441013 /nfs/dbraw/zinc/44/10/13/780441013.db2.gz RMFNTBXAXMZCNK-KUHUBIRLSA-N 1 2 340.427 2.496 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC001028294983 780563132 /nfs/dbraw/zinc/56/31/32/780563132.db2.gz KTKZPNVQUPPGHG-IRXDYDNUSA-N 1 2 334.847 2.461 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC001028294983 780563141 /nfs/dbraw/zinc/56/31/41/780563141.db2.gz KTKZPNVQUPPGHG-IRXDYDNUSA-N 1 2 334.847 2.461 20 30 EEEDLO O=C(NC1CN(CC#Cc2ccccc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001030527979 790830373 /nfs/dbraw/zinc/83/03/73/790830373.db2.gz YXTUZAFUFICGQS-UHFFFAOYSA-N 1 2 330.391 2.029 20 30 EEEDLO C=CCC1(C(=O)N2CC(n3cc(C[NH2+]CCF)nn3)C2)CCCCC1 ZINC001105375485 781049718 /nfs/dbraw/zinc/04/97/18/781049718.db2.gz FTFAWECHPBMVRJ-UHFFFAOYSA-N 1 2 349.454 2.247 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](CC)CCCCC)C2)nn1 ZINC001105375839 781053929 /nfs/dbraw/zinc/05/39/29/781053929.db2.gz RJYAJKWITYQKAH-MRXNPFEDSA-N 1 2 345.491 2.381 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc(C)n[nH]2)[C@H]1CC ZINC001087512639 781619789 /nfs/dbraw/zinc/61/97/89/781619789.db2.gz CRUUOUCFZWCXQR-WCQYABFASA-N 1 2 341.253 2.209 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)n[nH]2)[C@H]1CC ZINC001087512639 781619796 /nfs/dbraw/zinc/61/97/96/781619796.db2.gz CRUUOUCFZWCXQR-WCQYABFASA-N 1 2 341.253 2.209 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2ncccn2)C[C@@H]1C ZINC000942130749 781790778 /nfs/dbraw/zinc/79/07/78/781790778.db2.gz QLSINHXSTDCHTB-HOTGVXAUSA-N 1 2 339.443 2.105 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2ncccn2)C[C@@H]1C ZINC000942130749 781790784 /nfs/dbraw/zinc/79/07/84/781790784.db2.gz QLSINHXSTDCHTB-HOTGVXAUSA-N 1 2 339.443 2.105 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCCCC[C@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001088280809 783348492 /nfs/dbraw/zinc/34/84/92/783348492.db2.gz AYTCBNZIJJETTP-QWRGUYRKSA-N 1 2 341.362 2.028 20 30 EEEDLO CC(C)Cc1noc(C[NH2+][C@H]2CCCCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001088281280 783351870 /nfs/dbraw/zinc/35/18/70/783351870.db2.gz KIYPDZKDUZRGDZ-GJZGRUSLSA-N 1 2 347.463 2.289 20 30 EEEDLO CCCc1noc(C[NH2+][C@@H]2CCCCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001088281539 783352800 /nfs/dbraw/zinc/35/28/00/783352800.db2.gz PCGGNPMSIWMCRD-UONOGXRCSA-N 1 2 333.436 2.043 20 30 EEEDLO CN(C(=O)c1cnco1)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033301750 783434802 /nfs/dbraw/zinc/43/48/02/783434802.db2.gz BZNYXTMICVNOMH-AWEZNQCLSA-N 1 2 328.347 2.032 20 30 EEEDLO CN(C(=O)c1cnco1)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033301750 783434807 /nfs/dbraw/zinc/43/48/07/783434807.db2.gz BZNYXTMICVNOMH-AWEZNQCLSA-N 1 2 328.347 2.032 20 30 EEEDLO Cc1cccc(OC[C@H](O)C[N@H+](C)CCC#N)c1Br ZINC000905981751 783616205 /nfs/dbraw/zinc/61/62/05/783616205.db2.gz YNSXIXCKVBQFOE-GFCCVEGCSA-N 1 2 327.222 2.343 20 30 EEEDLO Cc1cccc(OC[C@H](O)C[N@@H+](C)CCC#N)c1Br ZINC000905981751 783616210 /nfs/dbraw/zinc/61/62/10/783616210.db2.gz YNSXIXCKVBQFOE-GFCCVEGCSA-N 1 2 327.222 2.343 20 30 EEEDLO C#CCOCCC(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001091481047 790963994 /nfs/dbraw/zinc/96/39/94/790963994.db2.gz GLYOMUXWSHEKGP-WKILWMFISA-N 1 2 344.459 2.255 20 30 EEEDLO CC(C)=CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC001149116776 791050454 /nfs/dbraw/zinc/05/04/54/791050454.db2.gz OZPGZPRSSYCAEB-QGZVFWFLSA-N 1 2 345.418 2.371 20 30 EEEDLO CC(C)=CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC001149116776 791050468 /nfs/dbraw/zinc/05/04/68/791050468.db2.gz OZPGZPRSSYCAEB-QGZVFWFLSA-N 1 2 345.418 2.371 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(COC(C)C)cc2)C1 ZINC001035601740 784762103 /nfs/dbraw/zinc/76/21/03/784762103.db2.gz ZWRZSXCHILMPLN-SFHVURJKSA-N 1 2 332.444 2.228 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(COC(C)C)cc2)C1 ZINC001035601740 784762108 /nfs/dbraw/zinc/76/21/08/784762108.db2.gz ZWRZSXCHILMPLN-SFHVURJKSA-N 1 2 332.444 2.228 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC001035585052 784790345 /nfs/dbraw/zinc/79/03/45/784790345.db2.gz CAJIDEODCIAQNU-CYBMUJFWSA-N 1 2 341.238 2.447 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC001035585052 784790350 /nfs/dbraw/zinc/79/03/50/784790350.db2.gz CAJIDEODCIAQNU-CYBMUJFWSA-N 1 2 341.238 2.447 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2c(C)csc2Cl)C1 ZINC001035588756 784797598 /nfs/dbraw/zinc/79/75/98/784797598.db2.gz FOWDVTXIEQMBHA-GFCCVEGCSA-N 1 2 326.849 2.164 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2c(C)csc2Cl)C1 ZINC001035588756 784797603 /nfs/dbraw/zinc/79/76/03/784797603.db2.gz FOWDVTXIEQMBHA-GFCCVEGCSA-N 1 2 326.849 2.164 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(OC)c(OC)cc2C)C1 ZINC001035606874 784841165 /nfs/dbraw/zinc/84/11/65/784841165.db2.gz JVHXLRPIWYRELT-OAHLLOKOSA-N 1 2 348.443 2.019 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(OC)c(OC)cc2C)C1 ZINC001035606874 784841173 /nfs/dbraw/zinc/84/11/73/784841173.db2.gz JVHXLRPIWYRELT-OAHLLOKOSA-N 1 2 348.443 2.019 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]([NH2+]Cc2nc(C)no2)C(C)(C)C1 ZINC000995856183 785773649 /nfs/dbraw/zinc/77/36/49/785773649.db2.gz XLUWALKTWSKBKD-LBPRGKRZSA-N 1 2 340.855 2.483 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3cnsn3)C(C)(C)C2)cc1 ZINC000996117230 786058371 /nfs/dbraw/zinc/05/83/71/786058371.db2.gz XOMMPZVAUOTTRP-INIZCTEOSA-N 1 2 340.452 2.160 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC(OC2C[NH+](CCOCC)C2)CC1 ZINC001105709326 786377456 /nfs/dbraw/zinc/37/74/56/786377456.db2.gz HCBKWNHHXMJVKH-UHFFFAOYSA-N 1 2 338.492 2.317 20 30 EEEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)[C@H](C)C(C)(C)C)nn2)C1 ZINC001107219247 786476096 /nfs/dbraw/zinc/47/60/96/786476096.db2.gz MZIVTDGCJWIDRO-GJZGRUSLSA-N 1 2 345.491 2.093 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](F)CC3CCCCC3)nn2)C1 ZINC001107229079 786561594 /nfs/dbraw/zinc/56/15/94/786561594.db2.gz BBFCZVRMECVKJP-QGZVFWFLSA-N 1 2 349.454 2.246 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cc(C)ccc2C)[C@@H](O)C1 ZINC001090538698 786812292 /nfs/dbraw/zinc/81/22/92/786812292.db2.gz KLEFNJCMGBDQHF-IRXDYDNUSA-N 1 2 336.863 2.150 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cc(C)ccc2C)[C@@H](O)C1 ZINC001090538698 786812299 /nfs/dbraw/zinc/81/22/99/786812299.db2.gz KLEFNJCMGBDQHF-IRXDYDNUSA-N 1 2 336.863 2.150 20 30 EEEDLO C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncc(Cl)n1C)CC2 ZINC001107336290 786928480 /nfs/dbraw/zinc/92/84/80/786928480.db2.gz KGVGGMIIOCMKGS-OGHNNQOOSA-N 1 2 349.866 2.094 20 30 EEEDLO C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncc(Cl)n1C)CC2 ZINC001107336290 786928485 /nfs/dbraw/zinc/92/84/85/786928485.db2.gz KGVGGMIIOCMKGS-OGHNNQOOSA-N 1 2 349.866 2.094 20 30 EEEDLO C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ncc(Cl)n1C)CC2 ZINC001107336291 786929892 /nfs/dbraw/zinc/92/98/92/786929892.db2.gz KGVGGMIIOCMKGS-PBFPGSCMSA-N 1 2 349.866 2.094 20 30 EEEDLO C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ncc(Cl)n1C)CC2 ZINC001107336291 786929898 /nfs/dbraw/zinc/92/98/98/786929898.db2.gz KGVGGMIIOCMKGS-PBFPGSCMSA-N 1 2 349.866 2.094 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)c(F)c2)[C@@H](O)C1 ZINC001090588089 787097934 /nfs/dbraw/zinc/09/79/34/787097934.db2.gz BWSBEKKABRMNBY-KBPBESRZSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)c(F)c2)[C@@H](O)C1 ZINC001090588089 787097942 /nfs/dbraw/zinc/09/79/42/787097942.db2.gz BWSBEKKABRMNBY-KBPBESRZSA-N 1 2 347.217 2.397 20 30 EEEDLO N#Cc1c(F)cccc1NC/C=C/CNC(=O)CCn1cc[nH+]c1 ZINC001107445261 787258126 /nfs/dbraw/zinc/25/81/26/787258126.db2.gz GBLKXGRVSARQFG-OWOJBTEDSA-N 1 2 327.363 2.068 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1 ZINC001109632073 805798657 /nfs/dbraw/zinc/79/86/57/805798657.db2.gz YZLNGCXZNHRBLM-RANZSIQMSA-N 1 2 347.503 2.227 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1 ZINC001109632073 805798665 /nfs/dbraw/zinc/79/86/65/805798665.db2.gz YZLNGCXZNHRBLM-RANZSIQMSA-N 1 2 347.503 2.227 20 30 EEEDLO Cc1nc(NC/C=C/CNC(=O)C[C@H](C)n2cc[nH+]c2)ccc1C#N ZINC001107545645 787569993 /nfs/dbraw/zinc/56/99/93/787569993.db2.gz JWGSNNBWBNZXOC-XGACYXMMSA-N 1 2 338.415 2.194 20 30 EEEDLO CC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)CCCCC1 ZINC001077617920 787576050 /nfs/dbraw/zinc/57/60/50/787576050.db2.gz RHBFZMFVZGJXEE-RTBURBONSA-N 1 2 340.467 2.170 20 30 EEEDLO CC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)CCCCC1 ZINC001077617920 787576052 /nfs/dbraw/zinc/57/60/52/787576052.db2.gz RHBFZMFVZGJXEE-RTBURBONSA-N 1 2 340.467 2.170 20 30 EEEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)C2CC2)cc1C#N ZINC001032335105 787872027 /nfs/dbraw/zinc/87/20/27/787872027.db2.gz JRYFDPNMQGFOAQ-KKXDTOCCSA-N 1 2 339.439 2.398 20 30 EEEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)C2CC2)cc1C#N ZINC001032335105 787872039 /nfs/dbraw/zinc/87/20/39/787872039.db2.gz JRYFDPNMQGFOAQ-KKXDTOCCSA-N 1 2 339.439 2.398 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001062316873 787880921 /nfs/dbraw/zinc/88/09/21/787880921.db2.gz LPQIIQCKIKJTCO-GOEBONIOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2oc(CC)cc2C)[C@H](O)C1 ZINC001090726276 787928038 /nfs/dbraw/zinc/92/80/38/787928038.db2.gz UYLVKQKFIVAALG-ZIAGYGMSSA-N 1 2 326.824 2.068 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2oc(CC)cc2C)[C@H](O)C1 ZINC001090726276 787928043 /nfs/dbraw/zinc/92/80/43/787928043.db2.gz UYLVKQKFIVAALG-ZIAGYGMSSA-N 1 2 326.824 2.068 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2C)[C@@H](O)C1 ZINC001090745339 788023316 /nfs/dbraw/zinc/02/33/16/788023316.db2.gz AOEVAKOAUXTIRZ-CABCVRRESA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2C)[C@@H](O)C1 ZINC001090745339 788023320 /nfs/dbraw/zinc/02/33/20/788023320.db2.gz AOEVAKOAUXTIRZ-CABCVRRESA-N 1 2 326.799 2.052 20 30 EEEDLO CC(C)CC(=O)NC[C@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107700505 788081092 /nfs/dbraw/zinc/08/10/92/788081092.db2.gz NBIVKBXERUIJBF-LJQANCHMSA-N 1 2 329.444 2.311 20 30 EEEDLO CC(C)CC(=O)NC[C@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107700505 788081101 /nfs/dbraw/zinc/08/11/01/788081101.db2.gz NBIVKBXERUIJBF-LJQANCHMSA-N 1 2 329.444 2.311 20 30 EEEDLO O=C(CC[C@@H]1CCOC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032345803 788084265 /nfs/dbraw/zinc/08/42/65/788084265.db2.gz KPFWKFADNAINDD-AABGKKOBSA-N 1 2 338.451 2.140 20 30 EEEDLO O=C(CC[C@@H]1CCOC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032345803 788084272 /nfs/dbraw/zinc/08/42/72/788084272.db2.gz KPFWKFADNAINDD-AABGKKOBSA-N 1 2 338.451 2.140 20 30 EEEDLO Cc1nsc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 ZINC001032362630 788327358 /nfs/dbraw/zinc/32/73/58/788327358.db2.gz LIMZNOLLKIYFLV-KBPBESRZSA-N 1 2 341.440 2.059 20 30 EEEDLO Cc1nsc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 ZINC001032362630 788327364 /nfs/dbraw/zinc/32/73/64/788327364.db2.gz LIMZNOLLKIYFLV-KBPBESRZSA-N 1 2 341.440 2.059 20 30 EEEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001137803892 788348533 /nfs/dbraw/zinc/34/85/33/788348533.db2.gz DOCVQTBLNIAXAC-UHFFFAOYSA-N 1 2 326.747 2.302 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(OC)n1 ZINC001109682030 805870934 /nfs/dbraw/zinc/87/09/34/805870934.db2.gz QWOSRNIYWURMMK-DRMAHVMPSA-N 1 2 344.459 2.309 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(OC)n1 ZINC001109682030 805870942 /nfs/dbraw/zinc/87/09/42/805870942.db2.gz QWOSRNIYWURMMK-DRMAHVMPSA-N 1 2 344.459 2.309 20 30 EEEDLO Cc1cc(NC2(CNC(=O)c3ccc(C#N)[nH]3)CC2)nc(C2CC2)[nH+]1 ZINC001110109193 788545589 /nfs/dbraw/zinc/54/55/89/788545589.db2.gz GMFILRPLMXQXRA-UHFFFAOYSA-N 1 2 336.399 2.237 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001060787446 788635534 /nfs/dbraw/zinc/63/55/34/788635534.db2.gz LUOLTHXGYLBEFK-BRWVUGGUSA-N 1 2 346.475 2.277 20 30 EEEDLO C[C@H]1CCCC[C@@H]1OCCNC(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000151214260 788722314 /nfs/dbraw/zinc/72/23/14/788722314.db2.gz AJPKCZCBLOAORD-RDJZCZTQSA-N 1 2 347.459 2.229 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@H](OCC)C(C)C)CC2)C1 ZINC001105713787 789138857 /nfs/dbraw/zinc/13/88/57/789138857.db2.gz VMYIZQZQYNGDRN-SFHVURJKSA-N 1 2 338.492 2.315 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cscn2)CC1 ZINC001006022745 789307389 /nfs/dbraw/zinc/30/73/89/789307389.db2.gz PPHXDESHYWDMSH-CVEARBPZSA-N 1 2 335.473 2.157 20 30 EEEDLO Cc1nc(C)c(C[N@@H+]2CCO[C@](C)(CNC(=O)C#CC(C)C)C2)s1 ZINC001107927367 789322427 /nfs/dbraw/zinc/32/24/27/789322427.db2.gz UXCJFAHJDGVCGV-GOSISDBHSA-N 1 2 349.500 2.126 20 30 EEEDLO Cc1nc(C)c(C[N@H+]2CCO[C@](C)(CNC(=O)C#CC(C)C)C2)s1 ZINC001107927367 789322438 /nfs/dbraw/zinc/32/24/38/789322438.db2.gz UXCJFAHJDGVCGV-GOSISDBHSA-N 1 2 349.500 2.126 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](N3Cc4c(cccc4F)C3=O)C2)nc1 ZINC001144169580 789337906 /nfs/dbraw/zinc/33/79/06/789337906.db2.gz MWDFFRDBFUFSMM-OAHLLOKOSA-N 1 2 336.370 2.323 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](N3Cc4c(cccc4F)C3=O)C2)nc1 ZINC001144169580 789337914 /nfs/dbraw/zinc/33/79/14/789337914.db2.gz MWDFFRDBFUFSMM-OAHLLOKOSA-N 1 2 336.370 2.323 20 30 EEEDLO C[C@H](CC(=O)[C@H](C#N)C(=O)NCc1ccc(F)c(F)c1)n1cc[nH+]c1 ZINC000845527886 789833771 /nfs/dbraw/zinc/83/37/71/789833771.db2.gz VWWAVAVGRJHOCK-YPMHNXCESA-N 1 2 346.337 2.138 20 30 EEEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2c(Cn3cccn3)cnc2C1 ZINC001171213146 790060807 /nfs/dbraw/zinc/06/08/07/790060807.db2.gz VSGPGZNHTYXBCJ-INIZCTEOSA-N 1 2 346.438 2.446 20 30 EEEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCn2c(Cn3cccn3)cnc2C1 ZINC001171213146 790060813 /nfs/dbraw/zinc/06/08/13/790060813.db2.gz VSGPGZNHTYXBCJ-INIZCTEOSA-N 1 2 346.438 2.446 20 30 EEEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccc3scnc3c2)CC1 ZINC001144738850 790087901 /nfs/dbraw/zinc/08/79/01/790087901.db2.gz ISPYXOLQEZUOMM-UHFFFAOYSA-N 1 2 336.424 2.280 20 30 EEEDLO NC(=[NH+]OCC(=O)NC1CCCCCCC1)c1ccc2c(c1)CCO2 ZINC000158188878 790202767 /nfs/dbraw/zinc/20/27/67/790202767.db2.gz AWUUPBYJGPCYSV-UHFFFAOYSA-N 1 2 345.443 2.488 20 30 EEEDLO Cc1nc(NC[C@H]2[C@H](C)CCCN2C(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001063928802 791971790 /nfs/dbraw/zinc/97/17/90/791971790.db2.gz GBLVACULIUCITI-WBMJQRKESA-N 1 2 338.415 2.338 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nn(CC)nc1C)C2 ZINC001148095056 792145504 /nfs/dbraw/zinc/14/55/04/792145504.db2.gz DBKPCZWOWUJGCB-GJZGRUSLSA-N 1 2 345.491 2.099 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nn(CC)nc1C)C2 ZINC001148095056 792145512 /nfs/dbraw/zinc/14/55/12/792145512.db2.gz DBKPCZWOWUJGCB-GJZGRUSLSA-N 1 2 345.491 2.099 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncnn1C(C)C)C2 ZINC001148087859 792173197 /nfs/dbraw/zinc/17/31/97/792173197.db2.gz GZUABTIAQPXYJA-CVEARBPZSA-N 1 2 345.491 2.352 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncnn1C(C)C)C2 ZINC001148087859 792173199 /nfs/dbraw/zinc/17/31/99/792173199.db2.gz GZUABTIAQPXYJA-CVEARBPZSA-N 1 2 345.491 2.352 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(CC)n1C)C2 ZINC001148146842 792187803 /nfs/dbraw/zinc/18/78/03/792187803.db2.gz 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EEEDLO CN(C(=O)C1=COCCC1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032940398 800472238 /nfs/dbraw/zinc/47/22/38/800472238.db2.gz JQKFZIDZMZHVJW-SFHVURJKSA-N 1 2 343.402 2.424 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)[C@H]1CCCOC1 ZINC001085514694 800681252 /nfs/dbraw/zinc/68/12/52/800681252.db2.gz NRMDXDFAMMASIJ-DLBZAZTESA-N 1 2 345.418 2.157 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)[C@H]1CCCOC1 ZINC001085514694 800681256 /nfs/dbraw/zinc/68/12/56/800681256.db2.gz NRMDXDFAMMASIJ-DLBZAZTESA-N 1 2 345.418 2.157 20 30 EEEDLO Cc1nc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(F)c(C#N)c2)c[nH]1 ZINC001085520751 800692763 /nfs/dbraw/zinc/69/27/63/800692763.db2.gz WVPGZGMTNZDNJU-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1nc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(F)c(C#N)c2)c[nH]1 ZINC001085520751 800692765 /nfs/dbraw/zinc/69/27/65/800692765.db2.gz WVPGZGMTNZDNJU-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)c1ccn(C)c1 ZINC001085548993 800751000 /nfs/dbraw/zinc/75/10/00/800751000.db2.gz JWNHOWKRLQFJRC-CQSZACIVSA-N 1 2 328.441 2.305 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)c1ccn(C)c1 ZINC001085548993 800751004 /nfs/dbraw/zinc/75/10/04/800751004.db2.gz JWNHOWKRLQFJRC-CQSZACIVSA-N 1 2 328.441 2.305 20 30 EEEDLO CCc1nc(C)c(C[N@@H+]2CC[C@H]2CN(C)C(=O)c2c[nH]c(C#N)c2)o1 ZINC001085556644 800770179 /nfs/dbraw/zinc/77/01/79/800770179.db2.gz WQXBBXIAHYOVCP-HNNXBMFYSA-N 1 2 341.415 2.092 20 30 EEEDLO CCc1nc(C)c(C[N@H+]2CC[C@H]2CN(C)C(=O)c2c[nH]c(C#N)c2)o1 ZINC001085556644 800770183 /nfs/dbraw/zinc/77/01/83/800770183.db2.gz WQXBBXIAHYOVCP-HNNXBMFYSA-N 1 2 341.415 2.092 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@H]1CC1(F)F ZINC001085585100 800824335 /nfs/dbraw/zinc/82/43/35/800824335.db2.gz SRRFBGYTAIRLAU-UONOGXRCSA-N 1 2 337.345 2.385 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[C@H]1CC1(F)F ZINC001085585100 800824342 /nfs/dbraw/zinc/82/43/42/800824342.db2.gz SRRFBGYTAIRLAU-UONOGXRCSA-N 1 2 337.345 2.385 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)c1cnccn1 ZINC001085641158 800954874 /nfs/dbraw/zinc/95/48/74/800954874.db2.gz FKVRWAWOJHMPBI-JKSUJKDBSA-N 1 2 339.443 2.372 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)c1cnccn1 ZINC001085641158 800954877 /nfs/dbraw/zinc/95/48/77/800954877.db2.gz FKVRWAWOJHMPBI-JKSUJKDBSA-N 1 2 339.443 2.372 20 30 EEEDLO N#CCSCC(=O)N1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC001112629871 806875265 /nfs/dbraw/zinc/87/52/65/806875265.db2.gz DTWBLAKMIWGRNN-MRXNPFEDSA-N 1 2 333.432 2.214 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC001085684755 801042990 /nfs/dbraw/zinc/04/29/90/801042990.db2.gz APSNWDFBZXGZGD-RDJZCZTQSA-N 1 2 328.460 2.332 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC001085684755 801042995 /nfs/dbraw/zinc/04/29/95/801042995.db2.gz APSNWDFBZXGZGD-RDJZCZTQSA-N 1 2 328.460 2.332 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)CCCC)C2 ZINC001110313121 801205710 /nfs/dbraw/zinc/20/57/10/801205710.db2.gz AHXROMKEGJDWMX-HZMVEIRTSA-N 1 2 335.492 2.227 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)CCCC)C2 ZINC001110313121 801205716 /nfs/dbraw/zinc/20/57/16/801205716.db2.gz AHXROMKEGJDWMX-HZMVEIRTSA-N 1 2 335.492 2.227 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)c1csc(=O)[nH]1 ZINC001085775566 801224208 /nfs/dbraw/zinc/22/42/08/801224208.db2.gz XRJBTKJIJZIYQA-AWEZNQCLSA-N 1 2 342.424 2.067 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)c1csc(=O)[nH]1 ZINC001085775566 801224218 /nfs/dbraw/zinc/22/42/18/801224218.db2.gz XRJBTKJIJZIYQA-AWEZNQCLSA-N 1 2 342.424 2.067 20 30 EEEDLO Cc1cnn(C)c1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085773836 801233799 /nfs/dbraw/zinc/23/37/99/801233799.db2.gz OLBIDMJQJJQHCA-CYBMUJFWSA-N 1 2 343.456 2.008 20 30 EEEDLO Cc1cnn(C)c1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085773836 801233805 /nfs/dbraw/zinc/23/38/05/801233805.db2.gz OLBIDMJQJJQHCA-CYBMUJFWSA-N 1 2 343.456 2.008 20 30 EEEDLO C[C@@H](C(=O)N1CC[NH+](CCc2ccccn2)CC1)c1ccc(C#N)cc1 ZINC001182792996 801338633 /nfs/dbraw/zinc/33/86/33/801338633.db2.gz WGUDARMJRTYDOD-QGZVFWFLSA-N 1 2 348.450 2.444 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccnn2CC(F)F)C1 ZINC001033085113 801518013 /nfs/dbraw/zinc/51/80/13/801518013.db2.gz PSMXOWNDNJSXBN-NSHDSACASA-N 1 2 332.782 2.047 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccnn2CC(F)F)C1 ZINC001033085113 801518018 /nfs/dbraw/zinc/51/80/18/801518018.db2.gz PSMXOWNDNJSXBN-NSHDSACASA-N 1 2 332.782 2.047 20 30 EEEDLO CCSCCC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001112645018 806920682 /nfs/dbraw/zinc/92/06/82/806920682.db2.gz GMDWBGRWWJUEIB-UHFFFAOYSA-N 1 2 347.484 2.376 20 30 EEEDLO C[C@H]1CC[C@@H](CO)N1C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183828796 801759950 /nfs/dbraw/zinc/75/99/50/801759950.db2.gz MRPSUVGVNUBVJE-ZYSHUDEJSA-N 1 2 341.455 2.285 20 30 EEEDLO C[C@H]1CC[C@@H](CO)N1C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183828796 801759954 /nfs/dbraw/zinc/75/99/54/801759954.db2.gz MRPSUVGVNUBVJE-ZYSHUDEJSA-N 1 2 341.455 2.285 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C)n(C(F)F)n2)C1 ZINC001033116036 801998934 /nfs/dbraw/zinc/99/89/34/801998934.db2.gz DIPXUWRABOHMNO-LLVKDONJSA-N 1 2 332.782 2.485 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)n(C(F)F)n2)C1 ZINC001033116036 801998943 /nfs/dbraw/zinc/99/89/43/801998943.db2.gz DIPXUWRABOHMNO-LLVKDONJSA-N 1 2 332.782 2.485 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001066369164 802030763 /nfs/dbraw/zinc/03/07/63/802030763.db2.gz MFSNHBDANCHTHN-MRXNPFEDSA-N 1 2 346.475 2.373 20 30 EEEDLO CC(C)(C)n1ccc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004449919 802070764 /nfs/dbraw/zinc/07/07/64/802070764.db2.gz KWANXPASDCQPRN-KRWDZBQOSA-N 1 2 343.475 2.478 20 30 EEEDLO CC(C)(C)n1ccc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004449919 802070769 /nfs/dbraw/zinc/07/07/69/802070769.db2.gz KWANXPASDCQPRN-KRWDZBQOSA-N 1 2 343.475 2.478 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cnc3[nH]ccc3c2)CC1 ZINC001004462085 802134598 /nfs/dbraw/zinc/13/45/98/802134598.db2.gz DAGGQSDCBCDYQT-KRWDZBQOSA-N 1 2 337.427 2.355 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cnc3[nH]ccc3c2)CC1 ZINC001004462085 802134606 /nfs/dbraw/zinc/13/46/06/802134606.db2.gz DAGGQSDCBCDYQT-KRWDZBQOSA-N 1 2 337.427 2.355 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2noc(C)n2)C1 ZINC001086108058 802186659 /nfs/dbraw/zinc/18/66/59/802186659.db2.gz BHLHQZBVYGDKEQ-AEGPPILISA-N 1 2 343.431 2.225 20 30 EEEDLO CCc1cnccc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004482682 802204685 /nfs/dbraw/zinc/20/46/85/802204685.db2.gz QTNCNFYSEUSEJI-SFHVURJKSA-N 1 2 326.444 2.484 20 30 EEEDLO CCc1cnccc1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004482682 802204689 /nfs/dbraw/zinc/20/46/89/802204689.db2.gz QTNCNFYSEUSEJI-SFHVURJKSA-N 1 2 326.444 2.484 20 30 EEEDLO Cc1ccn([C@@H](C)CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004497841 802229059 /nfs/dbraw/zinc/22/90/59/802229059.db2.gz DVHIROSYNAMVTF-WMZOPIPTSA-N 1 2 343.475 2.369 20 30 EEEDLO Cc1ccn([C@@H](C)CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004497841 802229063 /nfs/dbraw/zinc/22/90/63/802229063.db2.gz DVHIROSYNAMVTF-WMZOPIPTSA-N 1 2 343.475 2.369 20 30 EEEDLO Cc1nn(C)c(Cl)c1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004500448 802250597 /nfs/dbraw/zinc/25/05/97/802250597.db2.gz PDBVPJXSPRXKSQ-CQSZACIVSA-N 1 2 349.866 2.222 20 30 EEEDLO Cc1nn(C)c(Cl)c1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004500448 802250603 /nfs/dbraw/zinc/25/06/03/802250603.db2.gz PDBVPJXSPRXKSQ-CQSZACIVSA-N 1 2 349.866 2.222 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCc2ccc3[nH]ccc3c2)C1 ZINC001108075780 802255094 /nfs/dbraw/zinc/25/50/94/802255094.db2.gz DSRFXTRBUMBOFY-FQEVSTJZSA-N 1 2 341.455 2.494 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCc2ccc3[nH]ccc3c2)C1 ZINC001108075780 802255100 /nfs/dbraw/zinc/25/51/00/802255100.db2.gz DSRFXTRBUMBOFY-FQEVSTJZSA-N 1 2 341.455 2.494 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004601935 802432226 /nfs/dbraw/zinc/43/22/26/802432226.db2.gz SFNXGLKFZFNLAS-HXUWFJFHSA-N 1 2 335.451 2.437 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004601935 802432229 /nfs/dbraw/zinc/43/22/29/802432229.db2.gz SFNXGLKFZFNLAS-HXUWFJFHSA-N 1 2 335.451 2.437 20 30 EEEDLO C[C@H](Oc1ccccn1)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004594678 802445796 /nfs/dbraw/zinc/44/57/96/802445796.db2.gz CFMQUMZGYRSMAU-RDJZCZTQSA-N 1 2 342.443 2.075 20 30 EEEDLO C[C@H](Oc1ccccn1)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004594678 802445801 /nfs/dbraw/zinc/44/58/01/802445801.db2.gz CFMQUMZGYRSMAU-RDJZCZTQSA-N 1 2 342.443 2.075 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cn3ccccc3n2)CC1 ZINC001004609418 802477111 /nfs/dbraw/zinc/47/71/11/802477111.db2.gz HXBSNNDHMSMNAP-KRWDZBQOSA-N 1 2 337.427 2.174 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cn3ccccc3n2)CC1 ZINC001004609418 802477117 /nfs/dbraw/zinc/47/71/17/802477117.db2.gz HXBSNNDHMSMNAP-KRWDZBQOSA-N 1 2 337.427 2.174 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC23CCOCC3)CC1 ZINC001004634587 802515760 /nfs/dbraw/zinc/51/57/60/802515760.db2.gz OQTVKGFEENBICV-IAGOWNOFSA-N 1 2 331.460 2.030 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC23CCOCC3)CC1 ZINC001004634587 802515765 /nfs/dbraw/zinc/51/57/65/802515765.db2.gz OQTVKGFEENBICV-IAGOWNOFSA-N 1 2 331.460 2.030 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)COc2ccsc2Cl)C1 ZINC001108274515 802947933 /nfs/dbraw/zinc/94/79/33/802947933.db2.gz HDXRAZLVKNXXGC-HNNXBMFYSA-N 1 2 344.864 2.173 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)COc2ccsc2Cl)C1 ZINC001108274515 802947938 /nfs/dbraw/zinc/94/79/38/802947938.db2.gz HDXRAZLVKNXXGC-HNNXBMFYSA-N 1 2 344.864 2.173 20 30 EEEDLO C[C@H]([NH2+]Cc1noc(C2CC2)n1)[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC001004857369 803090892 /nfs/dbraw/zinc/09/08/92/803090892.db2.gz YQTVFQJGBLSWAD-BBRMVZONSA-N 1 2 342.443 2.220 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccccc2OC(C)C)C1 ZINC001108357073 803362798 /nfs/dbraw/zinc/36/27/98/803362798.db2.gz XAGVZZVJMTXZJM-LJQANCHMSA-N 1 2 332.444 2.481 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccccc2OC(C)C)C1 ZINC001108357073 803362806 /nfs/dbraw/zinc/36/28/06/803362806.db2.gz XAGVZZVJMTXZJM-LJQANCHMSA-N 1 2 332.444 2.481 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)COc2ccc(Cl)cc2)C1 ZINC001108374971 803414079 /nfs/dbraw/zinc/41/40/79/803414079.db2.gz SKWUNWXIVOYSOD-KRWDZBQOSA-N 1 2 338.835 2.112 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)COc2ccc(Cl)cc2)C1 ZINC001108374971 803414086 /nfs/dbraw/zinc/41/40/86/803414086.db2.gz SKWUNWXIVOYSOD-KRWDZBQOSA-N 1 2 338.835 2.112 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2c(Cl)cccc2OC)C1 ZINC001108419756 803510050 /nfs/dbraw/zinc/51/00/50/803510050.db2.gz QOTHZTBLHQPFLZ-QGZVFWFLSA-N 1 2 338.835 2.355 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2c(Cl)cccc2OC)C1 ZINC001108419756 803510052 /nfs/dbraw/zinc/51/00/52/803510052.db2.gz QOTHZTBLHQPFLZ-QGZVFWFLSA-N 1 2 338.835 2.355 20 30 EEEDLO COC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109067890 804884525 /nfs/dbraw/zinc/88/45/25/804884525.db2.gz LBPOIQXMNNUIMU-FXBSTXGRSA-N 1 2 345.418 2.201 20 30 EEEDLO COC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109067890 804884533 /nfs/dbraw/zinc/88/45/33/804884533.db2.gz LBPOIQXMNNUIMU-FXBSTXGRSA-N 1 2 345.418 2.201 20 30 EEEDLO CO[C@@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109053376 804891079 /nfs/dbraw/zinc/89/10/79/804891079.db2.gz MAAHXHNADNRYCG-FXBSTXGRSA-N 1 2 345.418 2.344 20 30 EEEDLO CO[C@@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109053376 804891082 /nfs/dbraw/zinc/89/10/82/804891082.db2.gz MAAHXHNADNRYCG-FXBSTXGRSA-N 1 2 345.418 2.344 20 30 EEEDLO CC(C)(C)C(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001109091778 804952575 /nfs/dbraw/zinc/95/25/75/804952575.db2.gz WGJNCIQLIPACSN-IKGGRYGDSA-N 1 2 339.439 2.395 20 30 EEEDLO CC(C)(C)C(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001109091778 804952582 /nfs/dbraw/zinc/95/25/82/804952582.db2.gz WGJNCIQLIPACSN-IKGGRYGDSA-N 1 2 339.439 2.395 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](CCOc2cccc(C)c2)CC1 ZINC001112671654 806994170 /nfs/dbraw/zinc/99/41/70/806994170.db2.gz NXTNCAXYXQDEAC-SFHVURJKSA-N 1 2 346.471 2.499 20 30 EEEDLO C=CCOCC(=O)N1CCC[C@@H]([C@H]2CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112811581 807336290 /nfs/dbraw/zinc/33/62/90/807336290.db2.gz RBBWQQDHYKYUSA-SJORKVTESA-N 1 2 344.459 2.053 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnc(-c3ccccc3)o2)CC1 ZINC001112990059 807781927 /nfs/dbraw/zinc/78/19/27/807781927.db2.gz XKSODYVLERCUEA-UHFFFAOYSA-N 1 2 341.411 2.302 20 30 EEEDLO C=C[C@@H](CC(=O)N1CCN(Cc2c[nH+]cn2C)CC1)c1ccccc1 ZINC001113666923 809491712 /nfs/dbraw/zinc/49/17/12/809491712.db2.gz HUXRQZHEWHJQTM-KRWDZBQOSA-N 1 2 338.455 2.424 20 30 EEEDLO C=CCCOCC(=O)N1CC[NH+](Cc2ccc(COC)cc2)CC1 ZINC001113708094 809607837 /nfs/dbraw/zinc/60/78/37/809607837.db2.gz VJROZEZVKIREIV-UHFFFAOYSA-N 1 2 332.444 2.070 20 30 EEEDLO Cc1cc(N2CC[C@@H](C)[C@H](NC(=O)C#CC3CC3)C2)nc(C2CC2)[nH+]1 ZINC001114022814 810201181 /nfs/dbraw/zinc/20/11/81/810201181.db2.gz YUYXOGQZZUNWFE-CXAGYDPISA-N 1 2 338.455 2.407 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC[C@@H]1C ZINC001114026492 810211244 /nfs/dbraw/zinc/21/12/44/810211244.db2.gz CXMNJWCYACJHOQ-BBRMVZONSA-N 1 2 344.459 2.196 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CN(c2[nH+]cnc3c2cnn3C)CC[C@H]1C ZINC001114052022 810243106 /nfs/dbraw/zinc/24/31/06/810243106.db2.gz GHMSSVZBUJNLDW-HIFRSBDPSA-N 1 2 342.447 2.051 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001114162578 810482552 /nfs/dbraw/zinc/48/25/52/810482552.db2.gz UVVHBPOPPNTBEO-VQFNDLOPSA-N 1 2 327.428 2.292 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001114162578 810482555 /nfs/dbraw/zinc/48/25/55/810482555.db2.gz UVVHBPOPPNTBEO-VQFNDLOPSA-N 1 2 327.428 2.292 20 30 EEEDLO CCCC[C@H](CNc1ccc(C#N)cn1)NC(=O)Cc1c[nH+]cn1C ZINC001114267204 810738974 /nfs/dbraw/zinc/73/89/74/810738974.db2.gz HXMDYVSFQSCNHV-OAHLLOKOSA-N 1 2 340.431 2.016 20 30 EEEDLO C=CCn1cccc1C(=O)NCC[NH2+]Cc1nc(C2CCCC2)no1 ZINC001129503119 810868000 /nfs/dbraw/zinc/86/80/00/810868000.db2.gz WRXLNRRPNCNQMB-UHFFFAOYSA-N 1 2 343.431 2.234 20 30 EEEDLO C=CCn1cccc1C(=O)NCC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC001129523025 810890421 /nfs/dbraw/zinc/89/04/21/810890421.db2.gz QJEXPEAPPQAMTI-ZDUSSCGKSA-N 1 2 345.447 2.435 20 30 EEEDLO CCCC[C@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)C(C)C ZINC001131130431 812421412 /nfs/dbraw/zinc/42/14/12/812421412.db2.gz MIOPIMSGFVOBMN-GVDBMIGSSA-N 1 2 345.491 2.290 20 30 EEEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C2(CCCC)CC2)CC1 ZINC001131378637 812759850 /nfs/dbraw/zinc/75/98/50/812759850.db2.gz IERRPLNWBGTDSD-UHFFFAOYSA-N 1 2 335.492 2.183 20 30 EEEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C2(CCCC)CC2)CC1 ZINC001131378637 812759854 /nfs/dbraw/zinc/75/98/54/812759854.db2.gz IERRPLNWBGTDSD-UHFFFAOYSA-N 1 2 335.492 2.183 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](OC)c1cccc(OC)c1 ZINC001437498636 1089880156 /nfs/dbraw/zinc/88/01/56/1089880156.db2.gz MDHMHIQCDPEJLE-HNNXBMFYSA-N 1 2 326.824 2.183 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](OC)c1cccc(OC)c1 ZINC001437498636 1089880165 /nfs/dbraw/zinc/88/01/65/1089880165.db2.gz MDHMHIQCDPEJLE-HNNXBMFYSA-N 1 2 326.824 2.183 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2nn(C)c3ccccc23)C1 ZINC001441161148 1094507699 /nfs/dbraw/zinc/50/76/99/1094507699.db2.gz ABXJEXWOZSSXBJ-ZDUSSCGKSA-N 1 2 346.862 2.305 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2ccccc2NC(C)=O)C1 ZINC001441202441 1094564644 /nfs/dbraw/zinc/56/46/44/1094564644.db2.gz XOWJLVOQVWOPAN-CYBMUJFWSA-N 1 2 349.862 2.377 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cn(C)nc1C(F)(F)F ZINC001442723151 1097095526 /nfs/dbraw/zinc/09/55/26/1097095526.db2.gz JEIYUIRISKIHDJ-UHFFFAOYSA-N 1 2 338.761 2.243 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cn(C)nc1C(F)(F)F ZINC001442723151 1097095533 /nfs/dbraw/zinc/09/55/33/1097095533.db2.gz JEIYUIRISKIHDJ-UHFFFAOYSA-N 1 2 338.761 2.243 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cc3ncccn3n2)C1 ZINC001443194899 1097644129 /nfs/dbraw/zinc/64/41/29/1097644129.db2.gz FFHPQUUGJWJZDS-AWEZNQCLSA-N 1 2 347.850 2.408 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc3ncccn3n2)C1 ZINC001443194899 1097644132 /nfs/dbraw/zinc/64/41/32/1097644132.db2.gz FFHPQUUGJWJZDS-AWEZNQCLSA-N 1 2 347.850 2.408 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)OCc1ccncc1 ZINC001445033414 1100204486 /nfs/dbraw/zinc/20/44/86/1100204486.db2.gz XAZTWTXKOHINSV-CQSZACIVSA-N 1 2 325.840 2.129 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](C)OCc1ccncc1 ZINC001445033414 1100204494 /nfs/dbraw/zinc/20/44/94/1100204494.db2.gz XAZTWTXKOHINSV-CQSZACIVSA-N 1 2 325.840 2.129 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1cncnc1C1CC1 ZINC001445067606 1100266170 /nfs/dbraw/zinc/26/61/70/1100266170.db2.gz CBFNASKPIPYKLP-UHFFFAOYSA-N 1 2 349.438 2.430 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1cncnc1C1CC1 ZINC001445067606 1100266175 /nfs/dbraw/zinc/26/61/75/1100266175.db2.gz CBFNASKPIPYKLP-UHFFFAOYSA-N 1 2 349.438 2.430 20 30 EEEDLO Cc1cc(C)c(C(=O)N2CC[C@@](C)(CNC(=O)[C@@H](C)C#N)C2)c(C)[nH+]1 ZINC001453964626 1106621052 /nfs/dbraw/zinc/62/10/52/1106621052.db2.gz SDXTYCOKEFTKPN-DJJJIMSYSA-N 1 2 342.443 2.135 20 30 EEEDLO Cc1nnc(N(CCC#N)CCC(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001460397236 1110273884 /nfs/dbraw/zinc/27/38/84/1110273884.db2.gz MCLCUHASXYOZEC-MRXNPFEDSA-N 1 2 348.495 2.073 20 30 EEEDLO Cc1nnc(N(CCC#N)CCC(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001460397236 1110273885 /nfs/dbraw/zinc/27/38/85/1110273885.db2.gz MCLCUHASXYOZEC-MRXNPFEDSA-N 1 2 348.495 2.073 20 30 EEEDLO C=C(Cl)C[NH2+][C@H](C)c1ccc(CNC(=O)Cc2nnc[nH]2)cc1 ZINC001501681396 1113431974 /nfs/dbraw/zinc/43/19/74/1113431974.db2.gz IHJJHAOOCOYYCY-GFCCVEGCSA-N 1 2 333.823 2.067 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@](F)(C#N)C1 ZINC001515996702 1118992490 /nfs/dbraw/zinc/99/24/90/1118992490.db2.gz IFPLPNZXKRHUHU-WMLDXEAASA-N 1 2 332.427 2.453 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@](F)(C#N)C1 ZINC001515996702 1118992495 /nfs/dbraw/zinc/99/24/95/1118992495.db2.gz IFPLPNZXKRHUHU-WMLDXEAASA-N 1 2 332.427 2.453 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001520252136 1119140115 /nfs/dbraw/zinc/14/01/15/1119140115.db2.gz HXOXUOZMYKBNIA-JYJNAYRXSA-N 1 2 333.480 2.481 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001520252136 1119140119 /nfs/dbraw/zinc/14/01/19/1119140119.db2.gz HXOXUOZMYKBNIA-JYJNAYRXSA-N 1 2 333.480 2.481 20 30 EEEDLO CC(=O)Nc1cccc2c1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000054389966 214235233 /nfs/dbraw/zinc/23/52/33/214235233.db2.gz QQQQYAMFOIBDLP-IBGZPJMESA-N 1 2 342.443 2.058 20 30 EEEDLO CC(=O)Nc1cccc2c1CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000054389966 214235236 /nfs/dbraw/zinc/23/52/36/214235236.db2.gz QQQQYAMFOIBDLP-IBGZPJMESA-N 1 2 342.443 2.058 20 30 EEEDLO O=C(C#Cc1ccccc1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000174957775 231354189 /nfs/dbraw/zinc/35/41/89/231354189.db2.gz SNWBEOPYRCOBNG-FQEVSTJZSA-N 1 2 334.419 2.228 20 30 EEEDLO CN(CC(C)(C)C#N)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000457743035 282362212 /nfs/dbraw/zinc/36/22/12/282362212.db2.gz PSROGNFLBGDQGB-QGZVFWFLSA-N 1 2 344.459 2.251 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000042242842 213487910 /nfs/dbraw/zinc/48/79/10/213487910.db2.gz KKYJWFFWSFZPHJ-QGZVFWFLSA-N 1 2 343.471 2.406 20 30 EEEDLO Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@H]3C#N)CC2)s1 ZINC000329680733 539780198 /nfs/dbraw/zinc/78/01/98/539780198.db2.gz WOZXQWBMDBBSEC-DZGCQCFKSA-N 1 2 333.461 2.175 20 30 EEEDLO Cc1nc2ccccn2c1[C@@H]1C(=O)NCC[N@H+]1CCCC(C)(C)C#N ZINC000370002249 238253736 /nfs/dbraw/zinc/25/37/36/238253736.db2.gz NHCWMCWXEHXXTQ-QGZVFWFLSA-N 1 2 339.443 2.446 20 30 EEEDLO Cc1nc2ccccn2c1[C@@H]1C(=O)NCC[N@@H+]1CCCC(C)(C)C#N ZINC000370002249 238253741 /nfs/dbraw/zinc/25/37/41/238253741.db2.gz NHCWMCWXEHXXTQ-QGZVFWFLSA-N 1 2 339.443 2.446 20 30 EEEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1CCCC(C)(C)C#N ZINC000370002249 238253745 /nfs/dbraw/zinc/25/37/45/238253745.db2.gz NHCWMCWXEHXXTQ-QGZVFWFLSA-N 1 2 339.443 2.446 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000456760313 244349984 /nfs/dbraw/zinc/34/99/84/244349984.db2.gz UDYTYGDPOPEADH-AWEZNQCLSA-N 1 2 333.457 2.319 20 30 EEEDLO Cc1ncc(C[NH+]2CCN(C(=O)c3cccc(C#N)c3)CC2)s1 ZINC000110940757 220082883 /nfs/dbraw/zinc/08/28/83/220082883.db2.gz PJDQVLUMTPTAON-UHFFFAOYSA-N 1 2 326.425 2.281 20 30 EEEDLO C[C@@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc(C#N)cc1 ZINC000264089048 246054275 /nfs/dbraw/zinc/05/42/75/246054275.db2.gz ZPSFBGZIDSJSDR-CQSZACIVSA-N 1 2 330.432 2.029 20 30 EEEDLO C[C@@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc(C#N)cc1 ZINC000264089048 246054276 /nfs/dbraw/zinc/05/42/76/246054276.db2.gz ZPSFBGZIDSJSDR-CQSZACIVSA-N 1 2 330.432 2.029 20 30 EEEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)c1ccc(Cl)cc1 ZINC000491637095 246093208 /nfs/dbraw/zinc/09/32/08/246093208.db2.gz XYTRCWPWEZNJID-XJKSGUPXSA-N 1 2 335.835 2.034 20 30 EEEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)c1ccc(Cl)cc1 ZINC000491637095 246093212 /nfs/dbraw/zinc/09/32/12/246093212.db2.gz XYTRCWPWEZNJID-XJKSGUPXSA-N 1 2 335.835 2.034 20 30 EEEDLO COC(=O)N1CCN(c2ccc(N[C@H]3CC[C@@H](C#N)C3)c[nH+]2)CC1 ZINC000495674421 247216568 /nfs/dbraw/zinc/21/65/68/247216568.db2.gz YSLPBWCUZYZGOA-KGLIPLIRSA-N 1 2 329.404 2.074 20 30 EEEDLO C#CC[C@@H]([NH2+][C@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)OC ZINC000497070997 247758888 /nfs/dbraw/zinc/75/88/88/247758888.db2.gz IJRUMTRAZRZJKG-KFWWJZLASA-N 1 2 338.448 2.319 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)s3)n2C2CC2)CC1 ZINC000491454268 533159346 /nfs/dbraw/zinc/15/93/46/533159346.db2.gz XJZODZGSGIUFNE-UHFFFAOYSA-N 1 2 327.457 2.405 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000267640448 256075331 /nfs/dbraw/zinc/07/53/31/256075331.db2.gz VRGZXBDVHLUEEM-JKSUJKDBSA-N 1 2 342.395 2.047 20 30 EEEDLO C[C@H](c1ccc(C#N)cc1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000118391658 221145707 /nfs/dbraw/zinc/14/57/07/221145707.db2.gz BLNMDGFZISQJPJ-QGZVFWFLSA-N 1 2 340.471 2.249 20 30 EEEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccncc1 ZINC000270990342 256195984 /nfs/dbraw/zinc/19/59/84/256195984.db2.gz ICELSKBPGWPXHM-UHFFFAOYSA-N 1 2 329.425 2.249 20 30 EEEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccncc1 ZINC000270990342 256195985 /nfs/dbraw/zinc/19/59/85/256195985.db2.gz ICELSKBPGWPXHM-UHFFFAOYSA-N 1 2 329.425 2.249 20 30 EEEDLO CC[C@H]1OCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000277176537 256503964 /nfs/dbraw/zinc/50/39/64/256503964.db2.gz SOAUSOLBMMYXEJ-RBUKOAKNSA-N 1 2 341.455 2.408 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2Cc2ccc(F)c(C#N)c2)O1 ZINC000282396252 257937229 /nfs/dbraw/zinc/93/72/29/257937229.db2.gz HHTQXQPOUQVRNQ-JKEMJCCQSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2Cc2ccc(F)c(C#N)c2)O1 ZINC000282396252 257937231 /nfs/dbraw/zinc/93/72/31/257937231.db2.gz HHTQXQPOUQVRNQ-JKEMJCCQSA-N 1 2 332.375 2.381 20 30 EEEDLO C#C[C@H](CC)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000491651017 533304584 /nfs/dbraw/zinc/30/45/84/533304584.db2.gz CUWGTLJPHJBMLG-IKGGRYGDSA-N 1 2 349.862 2.423 20 30 EEEDLO C#C[C@H](CC)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000491651017 533304589 /nfs/dbraw/zinc/30/45/89/533304589.db2.gz CUWGTLJPHJBMLG-IKGGRYGDSA-N 1 2 349.862 2.423 20 30 EEEDLO CCOC(=O)c1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115598102 152032652 /nfs/dbraw/zinc/03/26/52/152032652.db2.gz AXVJHAQZIGCEMO-KRWDZBQOSA-N 1 2 337.379 2.051 20 30 EEEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1C ZINC000249071926 160372998 /nfs/dbraw/zinc/37/29/98/160372998.db2.gz LCINRKWMOVTJCT-SMDDNHRTSA-N 1 2 349.818 2.281 20 30 EEEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1C ZINC000249071926 160372999 /nfs/dbraw/zinc/37/29/99/160372999.db2.gz LCINRKWMOVTJCT-SMDDNHRTSA-N 1 2 349.818 2.281 20 30 EEEDLO C[N@H+](CCOc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512278 159153858 /nfs/dbraw/zinc/15/38/58/159153858.db2.gz XVBGIQAPUGOVSK-UHFFFAOYSA-N 1 2 344.436 2.343 20 30 EEEDLO C[N@@H+](CCOc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512278 159153859 /nfs/dbraw/zinc/15/38/59/159153859.db2.gz XVBGIQAPUGOVSK-UHFFFAOYSA-N 1 2 344.436 2.343 20 30 EEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)C1=O ZINC000246611472 160286926 /nfs/dbraw/zinc/28/69/26/160286926.db2.gz YDCMXMJWMDTJPL-HIFRSBDPSA-N 1 2 341.440 2.328 20 30 EEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](c3cc[nH]n3)C2)C1=O ZINC000246611472 160286928 /nfs/dbraw/zinc/28/69/28/160286928.db2.gz YDCMXMJWMDTJPL-HIFRSBDPSA-N 1 2 341.440 2.328 20 30 EEEDLO Cc1noc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000355326315 163146965 /nfs/dbraw/zinc/14/69/65/163146965.db2.gz TXTGNRDBZDFMAH-ABAIWWIYSA-N 1 2 325.372 2.096 20 30 EEEDLO C[C@@H](C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1)c1cccc(C#N)c1 ZINC000360046097 164223097 /nfs/dbraw/zinc/22/30/97/164223097.db2.gz FSXDDHPNEFPADS-GFCCVEGCSA-N 1 2 341.415 2.158 20 30 EEEDLO Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000374113829 167020413 /nfs/dbraw/zinc/02/04/13/167020413.db2.gz HWMVOGBOGVWVSJ-HXUWFJFHSA-N 1 2 349.434 2.498 20 30 EEEDLO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000374113829 167020415 /nfs/dbraw/zinc/02/04/15/167020415.db2.gz HWMVOGBOGVWVSJ-HXUWFJFHSA-N 1 2 349.434 2.498 20 30 EEEDLO C=CCCOCCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000122243706 222044835 /nfs/dbraw/zinc/04/48/35/222044835.db2.gz QAJFYKLPFCLLDE-UHFFFAOYSA-N 1 2 332.448 2.464 20 30 EEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1nc(C(F)(F)F)ccc1C#N ZINC000286217382 267080174 /nfs/dbraw/zinc/08/01/74/267080174.db2.gz CUBKAIFYDPJVJA-DGCLKSJQSA-N 1 2 340.349 2.271 20 30 EEEDLO Cc1cc(NC[C@H]2CN3CC[NH+]2CC3)n2c3ccccc3nc2c1C#N ZINC000301806206 267348292 /nfs/dbraw/zinc/34/82/92/267348292.db2.gz YMOGSOKUWQNHQU-HNNXBMFYSA-N 1 2 346.438 2.079 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000326535647 268139362 /nfs/dbraw/zinc/13/93/62/268139362.db2.gz PJRUBWGEEPHVKG-HNNXBMFYSA-N 1 2 341.333 2.276 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000326535647 268139364 /nfs/dbraw/zinc/13/93/64/268139364.db2.gz PJRUBWGEEPHVKG-HNNXBMFYSA-N 1 2 341.333 2.276 20 30 EEEDLO N#Cc1ccc(CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000548333097 318376869 /nfs/dbraw/zinc/37/68/69/318376869.db2.gz HMXCYUWWOXBEQU-INIZCTEOSA-N 1 2 335.411 2.444 20 30 EEEDLO Cc1nc(C#N)c(N2CCC(C(=O)Nc3cc(C)[nH+]cc3C)CC2)o1 ZINC000555281268 318586763 /nfs/dbraw/zinc/58/67/63/318586763.db2.gz BQJMNRWVECDNSY-UHFFFAOYSA-N 1 2 339.399 2.144 20 30 EEEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000574769488 320056234 /nfs/dbraw/zinc/05/62/34/320056234.db2.gz YWCYQEIHYUPXKK-CQSZACIVSA-N 1 2 326.400 2.135 20 30 EEEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000574769488 320056235 /nfs/dbraw/zinc/05/62/35/320056235.db2.gz YWCYQEIHYUPXKK-CQSZACIVSA-N 1 2 326.400 2.135 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)nc1 ZINC000580338157 324044891 /nfs/dbraw/zinc/04/48/91/324044891.db2.gz LIJXRNWKWRLXFW-UHFFFAOYSA-N 1 2 336.424 2.280 20 30 EEEDLO Cc1onc(CC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)c1C#N ZINC000580668646 324107354 /nfs/dbraw/zinc/10/73/54/324107354.db2.gz ABQFFYDBKBQHEQ-QGZVFWFLSA-N 1 2 335.367 2.037 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccn(CCC#N)n1)c1ccccc1 ZINC000525746224 448020090 /nfs/dbraw/zinc/02/00/90/448020090.db2.gz JWZLCMMRVRKNDW-INIZCTEOSA-N 1 2 349.398 2.441 20 30 EEEDLO N#CC1(CNC(=O)N2CCC[N@H+](Cc3cscn3)CC2)CCC1 ZINC000333884720 465034305 /nfs/dbraw/zinc/03/43/05/465034305.db2.gz FMNBUYLWOHXMDD-UHFFFAOYSA-N 1 2 333.461 2.054 20 30 EEEDLO N#CC1(CNC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)CCC1 ZINC000333884720 465034314 /nfs/dbraw/zinc/03/43/14/465034314.db2.gz FMNBUYLWOHXMDD-UHFFFAOYSA-N 1 2 333.461 2.054 20 30 EEEDLO N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000296046990 465063424 /nfs/dbraw/zinc/06/34/24/465063424.db2.gz AURODSRQEUSOES-GFCCVEGCSA-N 1 2 348.403 2.130 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1COCCN1C)c1ccc(Cl)cc1 ZINC000328934923 465173554 /nfs/dbraw/zinc/17/35/54/465173554.db2.gz FJPXXDHGJPGYGU-CABCVRRESA-N 1 2 348.834 2.450 20 30 EEEDLO C=CCN1CC[C@H](N(C)C(=O)c2cc(C)ccc2-n2cc[nH+]c2)C1=O ZINC000337094332 465189220 /nfs/dbraw/zinc/18/92/20/465189220.db2.gz OTTCWEUUYOSEDT-KRWDZBQOSA-N 1 2 338.411 2.040 20 30 EEEDLO O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329000739 465198299 /nfs/dbraw/zinc/19/82/99/465198299.db2.gz VRWPHSIDIUVBHC-DOTOQJQBSA-N 1 2 338.411 2.203 20 30 EEEDLO C[NH+](C)[C@@H](C(=O)Nc1ccn(CCC#N)n1)c1cccc(Cl)c1 ZINC000355585710 465259123 /nfs/dbraw/zinc/25/91/23/465259123.db2.gz MPJPLHCXZBIWCP-OAHLLOKOSA-N 1 2 331.807 2.692 20 30 EEEDLO C[NH+](C)[C@H](C(=O)Nc1ccn(CCC#N)n1)c1cccc(Cl)c1 ZINC000355585709 465259197 /nfs/dbraw/zinc/25/91/97/465259197.db2.gz MPJPLHCXZBIWCP-HNNXBMFYSA-N 1 2 331.807 2.692 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(CC)cc2)C1=O ZINC000337235659 465259349 /nfs/dbraw/zinc/25/93/49/465259349.db2.gz XPURMHJQUSQHOX-CRAIPNDOSA-N 1 2 343.471 2.145 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(CC)cc2)C1=O ZINC000337235659 465259355 /nfs/dbraw/zinc/25/93/55/465259355.db2.gz XPURMHJQUSQHOX-CRAIPNDOSA-N 1 2 343.471 2.145 20 30 EEEDLO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C[C@H](C)C#N ZINC000355608382 465259995 /nfs/dbraw/zinc/25/99/95/465259995.db2.gz PQTGNAGKVKPNOU-GFCCVEGCSA-N 1 2 335.360 2.128 20 30 EEEDLO CC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C[C@H](C)C#N ZINC000355608382 465259999 /nfs/dbraw/zinc/25/99/99/465259999.db2.gz PQTGNAGKVKPNOU-GFCCVEGCSA-N 1 2 335.360 2.128 20 30 EEEDLO C[C@H]1CCCN1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329228040 465272915 /nfs/dbraw/zinc/27/29/15/465272915.db2.gz ILSTXJWQDTVJFO-DXCKQFNASA-N 1 2 345.447 2.013 20 30 EEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cnc2c(c1)CCCC2 ZINC000329240519 465277328 /nfs/dbraw/zinc/27/73/28/465277328.db2.gz MTLHHBBQFUFJIE-WMLDXEAASA-N 1 2 344.459 2.301 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@H](C)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000341980729 465280578 /nfs/dbraw/zinc/28/05/78/465280578.db2.gz BAFLUDVOFFVFSF-CQSZACIVSA-N 1 2 331.416 2.274 20 30 EEEDLO COCCn1c(C)cc(C(=O)C[NH+]2CCC(C#N)(COC)CC2)c1C ZINC000341980919 465281340 /nfs/dbraw/zinc/28/13/40/465281340.db2.gz QCAANCSQKRHNHH-UHFFFAOYSA-N 1 2 347.459 2.186 20 30 EEEDLO O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)C1([NH+]2CCOCC2)CCC1 ZINC000329276663 465286650 /nfs/dbraw/zinc/28/66/50/465286650.db2.gz CCUJZLDQRCIDMN-OAHLLOKOSA-N 1 2 331.416 2.376 20 30 EEEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329259024 465282985 /nfs/dbraw/zinc/28/29/85/465282985.db2.gz AJUGOHQCAZYCAX-HZPDHXFCSA-N 1 2 339.399 2.337 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C[C@H](CC#N)c1ccccc1 ZINC000356046256 465289096 /nfs/dbraw/zinc/28/90/96/465289096.db2.gz MYGZODSGBQSTBQ-NEWSRXKRSA-N 1 2 341.455 2.396 20 30 EEEDLO C=C(C)COc1cccc(NC(=O)NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC000356039915 465289474 /nfs/dbraw/zinc/28/94/74/465289474.db2.gz WGRJUUKVUVQBDY-HNNXBMFYSA-N 1 2 333.432 2.484 20 30 EEEDLO C=C(C)COc1cccc(NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000356039915 465289477 /nfs/dbraw/zinc/28/94/77/465289477.db2.gz WGRJUUKVUVQBDY-HNNXBMFYSA-N 1 2 333.432 2.484 20 30 EEEDLO CCc1ncnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1F ZINC000347899749 465295244 /nfs/dbraw/zinc/29/52/44/465295244.db2.gz KUZPYAYLBJJAKE-UHFFFAOYSA-N 1 2 325.391 2.372 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCn2cc[nH+]c2C1 ZINC000329358985 465310850 /nfs/dbraw/zinc/31/08/50/465310850.db2.gz XHBCILLUOMZZSR-LBPRGKRZSA-N 1 2 328.372 2.147 20 30 EEEDLO C[C@@H]1CN(c2ccc(CNc3nc(C#N)c(Cl)s3)c[nH+]2)CCO1 ZINC000590572771 468275657 /nfs/dbraw/zinc/27/56/57/468275657.db2.gz RVEHMWYGSHXDSC-SNVBAGLBSA-N 1 2 349.847 2.900 20 30 EEEDLO C#CCNC(=O)c1cccc(-c2noc(Cc3ccc(C)[nH+]c3)n2)c1 ZINC000491014719 468286415 /nfs/dbraw/zinc/28/64/15/468286415.db2.gz RRBWRZWLZTUROE-UHFFFAOYSA-N 1 2 332.363 2.394 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(CC(F)F)CC1 ZINC000061040613 462575381 /nfs/dbraw/zinc/57/53/81/462575381.db2.gz HXDOBAXDJCGZLK-INIZCTEOSA-N 1 2 340.414 2.038 20 30 EEEDLO C=CC[N@@H+](CC(=O)NCCCC(=O)OCC)Cc1cccc(C#N)c1 ZINC000063300623 462639046 /nfs/dbraw/zinc/63/90/46/462639046.db2.gz DGSCPRVDOBYWMO-UHFFFAOYSA-N 1 2 343.427 2.006 20 30 EEEDLO C=CC[N@H+](CC(=O)NCCCC(=O)OCC)Cc1cccc(C#N)c1 ZINC000063300623 462639052 /nfs/dbraw/zinc/63/90/52/462639052.db2.gz DGSCPRVDOBYWMO-UHFFFAOYSA-N 1 2 343.427 2.006 20 30 EEEDLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046527008 462686715 /nfs/dbraw/zinc/68/67/15/462686715.db2.gz RSFURTLGUCXZMA-HXUWFJFHSA-N 1 2 349.434 2.307 20 30 EEEDLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046527008 462686720 /nfs/dbraw/zinc/68/67/20/462686720.db2.gz RSFURTLGUCXZMA-HXUWFJFHSA-N 1 2 349.434 2.307 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000047591981 462802090 /nfs/dbraw/zinc/80/20/90/462802090.db2.gz ISFPTOMNLUSOKN-HNNXBMFYSA-N 1 2 342.443 2.288 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000047591981 462802095 /nfs/dbraw/zinc/80/20/95/462802095.db2.gz ISFPTOMNLUSOKN-HNNXBMFYSA-N 1 2 342.443 2.288 20 30 EEEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000066469243 462893067 /nfs/dbraw/zinc/89/30/67/462893067.db2.gz QHOZXQHXCQNGQW-RDBSUJKOSA-N 1 2 331.416 2.115 20 30 EEEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000066469243 462893069 /nfs/dbraw/zinc/89/30/69/462893069.db2.gz QHOZXQHXCQNGQW-RDBSUJKOSA-N 1 2 331.416 2.115 20 30 EEEDLO C[C@H]1CCc2nc(CN(CCC#N)CC[NH+]3CCOCC3)sc2C1 ZINC000156421387 463023527 /nfs/dbraw/zinc/02/35/27/463023527.db2.gz YZZXMLACRFJXQP-HNNXBMFYSA-N 1 2 348.516 2.316 20 30 EEEDLO C#CCCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000156549290 463039824 /nfs/dbraw/zinc/03/98/24/463039824.db2.gz YTJSZBXNTGNVNW-MRXNPFEDSA-N 1 2 331.435 2.256 20 30 EEEDLO CC(C)(C)[C@H]([NH2+]Cc1ccc(C#N)o1)c1nc(-c2nc[nH]n2)no1 ZINC000121041515 463069631 /nfs/dbraw/zinc/06/96/31/463069631.db2.gz LIFMCUDNSMSHKR-LLVKDONJSA-N 1 2 327.348 2.196 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000052240259 463070958 /nfs/dbraw/zinc/07/09/58/463070958.db2.gz YIUSTPYZEOFYQW-HNNXBMFYSA-N 1 2 349.500 2.319 20 30 EEEDLO COC(=O)c1cccc(CN2CC[NH+](Cc3ccco3)CC2)c1C#N ZINC000535977261 468338612 /nfs/dbraw/zinc/33/86/12/468338612.db2.gz DGUMBVFMSWNBQH-UHFFFAOYSA-N 1 2 339.395 2.256 20 30 EEEDLO C[C@@H](C#N)CN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000079010153 463178749 /nfs/dbraw/zinc/17/87/49/463178749.db2.gz URANHTPSOPDQRB-SWLSCSKDSA-N 1 2 329.379 2.450 20 30 EEEDLO N#CCCCCS(=O)(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000068900771 463188660 /nfs/dbraw/zinc/18/86/60/463188660.db2.gz ZXQFXYJPNAGGLX-UHFFFAOYSA-N 1 2 336.392 2.125 20 30 EEEDLO NC(=[NH+]OCC(=O)N(C1CC1)C1CCCC1)c1ccc2c(c1)CCO2 ZINC000158156091 463210955 /nfs/dbraw/zinc/21/09/55/463210955.db2.gz XFBPAIQASVENSI-UHFFFAOYSA-N 1 2 343.427 2.192 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)c1 ZINC000029445742 463257531 /nfs/dbraw/zinc/25/75/31/463257531.db2.gz JNBWELDHHFEMQN-UHFFFAOYSA-N 1 2 346.394 2.325 20 30 EEEDLO C=CCCOCCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000122492305 463267785 /nfs/dbraw/zinc/26/77/85/463267785.db2.gz PNCSKGDGYCITJY-UHFFFAOYSA-N 1 2 328.416 2.323 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000030151862 463288380 /nfs/dbraw/zinc/28/83/80/463288380.db2.gz JHKINIXMYLPJFF-WFASDCNBSA-N 1 2 331.416 2.379 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000030151862 463288385 /nfs/dbraw/zinc/28/83/85/463288385.db2.gz JHKINIXMYLPJFF-WFASDCNBSA-N 1 2 331.416 2.379 20 30 EEEDLO CCOc1cc(C[N@H+](C)[C@@H](C)CC#N)nc2nc(C(F)(F)F)nn21 ZINC000138170873 463304408 /nfs/dbraw/zinc/30/44/08/463304408.db2.gz NDKZJLGYKZEMLE-VIFPVBQESA-N 1 2 342.325 2.276 20 30 EEEDLO CCOc1cc(C[N@@H+](C)[C@@H](C)CC#N)nc2nc(C(F)(F)F)nn21 ZINC000138170873 463304413 /nfs/dbraw/zinc/30/44/13/463304413.db2.gz NDKZJLGYKZEMLE-VIFPVBQESA-N 1 2 342.325 2.276 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000590844791 468355948 /nfs/dbraw/zinc/35/59/48/468355948.db2.gz LWWTXXBGWSNMFG-JTQLQIEISA-N 1 2 330.779 2.362 20 30 EEEDLO Cc1cccc(S(=O)(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C#N ZINC000151281976 463506887 /nfs/dbraw/zinc/50/68/87/463506887.db2.gz CEZBMNSAMHLPMC-GDBMZVCRSA-N 1 2 344.440 2.335 20 30 EEEDLO N#CCCCCCC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000590888440 468366808 /nfs/dbraw/zinc/36/68/08/468366808.db2.gz HDIRHGWEXIDKOY-UHFFFAOYSA-N 1 2 333.432 2.414 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)Cn1ncc2c1nc[nH+]c2NC ZINC000193758956 463738043 /nfs/dbraw/zinc/73/80/43/463738043.db2.gz ISRYJQUSRAKSAQ-AWEZNQCLSA-N 1 2 339.399 2.036 20 30 EEEDLO CC(C)N(CCC#N)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000522762146 468374897 /nfs/dbraw/zinc/37/48/97/468374897.db2.gz SLNGHBJJTOMMFS-MRXNPFEDSA-N 1 2 346.450 2.487 20 30 EEEDLO C[C@H](c1ccsc1)N1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000185491784 463831462 /nfs/dbraw/zinc/83/14/62/463831462.db2.gz LLFFTARLFXPERK-CABCVRRESA-N 1 2 334.489 2.187 20 30 EEEDLO C=CC[C@]1(C(=O)NCc2[nH+]ccn2C)CCCN1C(=O)OC(C)(C)C ZINC000277269891 463907586 /nfs/dbraw/zinc/90/75/86/463907586.db2.gz OKXFOZQQKLSQNH-GOSISDBHSA-N 1 2 348.447 2.382 20 30 EEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000178808877 463979848 /nfs/dbraw/zinc/97/98/48/463979848.db2.gz NFLOXOWLSHBGTA-KRWDZBQOSA-N 1 2 344.459 2.441 20 30 EEEDLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000178808877 463979851 /nfs/dbraw/zinc/97/98/51/463979851.db2.gz NFLOXOWLSHBGTA-KRWDZBQOSA-N 1 2 344.459 2.441 20 30 EEEDLO Cc1cc(C(O)=CONC(=[NH2+])[C@@H]2CCCO2)c(C)n1CC(F)(F)F ZINC000283932346 464047128 /nfs/dbraw/zinc/04/71/28/464047128.db2.gz FDJKCBBTMWWYLC-ZDUSSCGKSA-N 1 2 347.337 2.318 20 30 EEEDLO Cc1cc(C(=O)CO[NH+]=C(N)[C@@H]2CCCO2)c(C)n1CC(F)(F)F ZINC000283932346 464047135 /nfs/dbraw/zinc/04/71/35/464047135.db2.gz FDJKCBBTMWWYLC-ZDUSSCGKSA-N 1 2 347.337 2.318 20 30 EEEDLO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccccc2C#N)c1 ZINC000179084659 464052898 /nfs/dbraw/zinc/05/28/98/464052898.db2.gz ZZTPIPHVFSMBMX-ZDUSSCGKSA-N 1 2 329.425 2.317 20 30 EEEDLO COCCOCC[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000288998588 464064582 /nfs/dbraw/zinc/06/45/82/464064582.db2.gz MDNRQURKNZJZIZ-UHFFFAOYSA-N 1 2 343.427 2.332 20 30 EEEDLO COCCOCC[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000288998588 464064591 /nfs/dbraw/zinc/06/45/91/464064591.db2.gz MDNRQURKNZJZIZ-UHFFFAOYSA-N 1 2 343.427 2.332 20 30 EEEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000279348905 464090721 /nfs/dbraw/zinc/09/07/21/464090721.db2.gz CKMGYEBOYLVCBY-FUHWJXTLSA-N 1 2 344.459 2.394 20 30 EEEDLO CCCCCNC(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000591025980 468396449 /nfs/dbraw/zinc/39/64/49/468396449.db2.gz PBINEQTUUQJSMC-SFHVURJKSA-N 1 2 346.450 2.314 20 30 EEEDLO Cc1nsc(N2CC[NH+](Cc3cnc(N(C)C)s3)CC2)c1C#N ZINC000291533694 464155775 /nfs/dbraw/zinc/15/57/75/464155775.db2.gz KMVPLFUTXOPIFT-UHFFFAOYSA-N 1 2 348.501 2.168 20 30 EEEDLO C=CCC[C@H]([NH2+]Cc1nc(CS(C)(=O)=O)no1)c1ccccc1 ZINC000180048557 464231416 /nfs/dbraw/zinc/23/14/16/464231416.db2.gz WRJVPBAAPJJGSQ-AWEZNQCLSA-N 1 2 335.429 2.411 20 30 EEEDLO CCc1ccc(C#CC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000292539784 464267516 /nfs/dbraw/zinc/26/75/16/464267516.db2.gz IUVPEXRZSMQNMD-UHFFFAOYSA-N 1 2 333.435 2.340 20 30 EEEDLO C#CCCOc1ccc(C[NH+]2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000271061587 464277639 /nfs/dbraw/zinc/27/76/39/464277639.db2.gz GBGBJQCCUGVWJV-UHFFFAOYSA-N 1 2 349.434 2.442 20 30 EEEDLO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H](F)C(F)(F)F ZINC000293260341 464396433 /nfs/dbraw/zinc/39/64/33/464396433.db2.gz MPRVVRCGBZWXFK-ZDUSSCGKSA-N 1 2 331.313 2.349 20 30 EEEDLO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C(F)C(F)(F)F ZINC000293260341 464396438 /nfs/dbraw/zinc/39/64/38/464396438.db2.gz MPRVVRCGBZWXFK-ZDUSSCGKSA-N 1 2 331.313 2.349 20 30 EEEDLO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271875268 464396851 /nfs/dbraw/zinc/39/68/51/464396851.db2.gz XJCJSBSLTKTQIG-KBPBESRZSA-N 1 2 334.445 2.031 20 30 EEEDLO CC(C)[C@H](C)NC(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000174572649 464423995 /nfs/dbraw/zinc/42/39/95/464423995.db2.gz FVJQPXCBMBUCMU-WMZOPIPTSA-N 1 2 328.460 2.030 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245759587 464513353 /nfs/dbraw/zinc/51/33/53/464513353.db2.gz PQXQNAPRUQZCGO-GDBMZVCRSA-N 1 2 343.475 2.451 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245759587 464513358 /nfs/dbraw/zinc/51/33/58/464513358.db2.gz PQXQNAPRUQZCGO-GDBMZVCRSA-N 1 2 343.475 2.451 20 30 EEEDLO C#CC[NH+]1CCN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC1 ZINC000265322231 464517273 /nfs/dbraw/zinc/51/72/73/464517273.db2.gz IVGOUFLPPOAWCN-UHFFFAOYSA-N 1 2 347.344 2.313 20 30 EEEDLO C[N@@H+]1CCN(C(=O)c2cc(O)cc(C#N)c2)[C@@H](Cc2ccccc2)C1 ZINC000593850314 468407311 /nfs/dbraw/zinc/40/73/11/468407311.db2.gz TYGZEEJWNLFZKT-SFHVURJKSA-N 1 2 335.407 2.263 20 30 EEEDLO C[N@H+]1CCN(C(=O)c2cc(O)cc(C#N)c2)[C@@H](Cc2ccccc2)C1 ZINC000593850314 468407317 /nfs/dbraw/zinc/40/73/17/468407317.db2.gz TYGZEEJWNLFZKT-SFHVURJKSA-N 1 2 335.407 2.263 20 30 EEEDLO C[C@](O)(C[NH+]1CCN(c2cccc(F)c2C#N)CC1)C(F)(F)F ZINC000281752245 464571232 /nfs/dbraw/zinc/57/12/32/464571232.db2.gz FRLNYNKSOWTKNP-AWEZNQCLSA-N 1 2 331.313 2.133 20 30 EEEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)C3(C#N)CCC3)CC2)c1 ZINC000265472905 464571931 /nfs/dbraw/zinc/57/19/31/464571931.db2.gz YQAUPQFUBQUUGF-UHFFFAOYSA-N 1 2 343.427 2.042 20 30 EEEDLO C#CCNC(=O)CC[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000294706598 464581846 /nfs/dbraw/zinc/58/18/46/464581846.db2.gz UXEDFLGKMRTPLG-UHFFFAOYSA-N 1 2 339.208 2.086 20 30 EEEDLO C#CCNC(=O)CC[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000294706598 464581852 /nfs/dbraw/zinc/58/18/52/464581852.db2.gz UXEDFLGKMRTPLG-UHFFFAOYSA-N 1 2 339.208 2.086 20 30 EEEDLO COc1ccc([C@H](CNc2cc(C#N)ccn2)[NH+]2CCOCC2)cc1 ZINC000285662446 464648713 /nfs/dbraw/zinc/64/87/13/464648713.db2.gz OXDNCSQTIWYTPM-SFHVURJKSA-N 1 2 338.411 2.447 20 30 EEEDLO COc1cc(C#N)ccc1OCCN1CC[NH+](Cc2ccco2)CC1 ZINC000265830944 464703198 /nfs/dbraw/zinc/70/31/98/464703198.db2.gz KTOFKGBBXKHUKP-UHFFFAOYSA-N 1 2 341.411 2.356 20 30 EEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(Cc2ccco2)CC1 ZINC000265830944 464703201 /nfs/dbraw/zinc/70/32/01/464703201.db2.gz KTOFKGBBXKHUKP-UHFFFAOYSA-N 1 2 341.411 2.356 20 30 EEEDLO CSc1ccc(OCCN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000176265703 464734665 /nfs/dbraw/zinc/73/46/65/464734665.db2.gz IBACNCLVZLOGAT-UHFFFAOYSA-N 1 2 349.500 2.335 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000248594095 464769680 /nfs/dbraw/zinc/76/96/80/464769680.db2.gz LUAGNLJZZNTKKD-WMZOPIPTSA-N 1 2 329.444 2.081 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000248594095 464769681 /nfs/dbraw/zinc/76/96/81/464769681.db2.gz LUAGNLJZZNTKKD-WMZOPIPTSA-N 1 2 329.444 2.081 20 30 EEEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)C2(C#N)CCCC2)C1 ZINC000275572196 464780638 /nfs/dbraw/zinc/78/06/38/464780638.db2.gz IXVRGPASNKOOCT-CQSZACIVSA-N 1 2 328.416 2.211 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(Br)s2)C1=O ZINC000295366396 464805337 /nfs/dbraw/zinc/80/53/37/464805337.db2.gz OYLDYVLJCGVZGI-SNVBAGLBSA-N 1 2 330.251 2.124 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(Br)s2)C1=O ZINC000295366396 464805340 /nfs/dbraw/zinc/80/53/40/464805340.db2.gz OYLDYVLJCGVZGI-SNVBAGLBSA-N 1 2 330.251 2.124 20 30 EEEDLO CC[C@]1(CO)CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000249558007 464890831 /nfs/dbraw/zinc/89/08/31/464890831.db2.gz KNVCXZDQQAOZHR-YOEHRIQHSA-N 1 2 333.457 2.210 20 30 EEEDLO CC[C@]1(CO)CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000249558007 464890834 /nfs/dbraw/zinc/89/08/34/464890834.db2.gz KNVCXZDQQAOZHR-YOEHRIQHSA-N 1 2 333.457 2.210 20 30 EEEDLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000192245789 464893493 /nfs/dbraw/zinc/89/34/93/464893493.db2.gz SUIHYDHEMAIYRA-QGZVFWFLSA-N 1 2 349.394 2.184 20 30 EEEDLO COC(=O)c1ccc(CO[NH+]=C(N)[C@@H](C)OCC(C)C)cc1F ZINC000268060262 464948680 /nfs/dbraw/zinc/94/86/80/464948680.db2.gz CZFADACYHIHQNI-LLVKDONJSA-N 1 2 326.368 2.462 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329439812 465334410 /nfs/dbraw/zinc/33/44/10/465334410.db2.gz MRLUJINVPURJJY-LSDHHAIUSA-N 1 2 340.427 2.228 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329439812 465334416 /nfs/dbraw/zinc/33/44/16/465334416.db2.gz MRLUJINVPURJJY-LSDHHAIUSA-N 1 2 340.427 2.228 20 30 EEEDLO CCC[C@@H](C(=O)OCC)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000348036974 465385796 /nfs/dbraw/zinc/38/57/96/465385796.db2.gz BCKPLZMXTIINCP-SFHVURJKSA-N 1 2 329.444 2.408 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[C@H](F)C3)CC2)cc1 ZINC000348039703 465388468 /nfs/dbraw/zinc/38/84/68/465388468.db2.gz LHIURNJHKKPEOF-IRXDYDNUSA-N 1 2 330.407 2.276 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2nc(C)no2)c(OC)c1 ZINC000348076830 465408107 /nfs/dbraw/zinc/40/81/07/465408107.db2.gz KGYSYUAXVDKTME-SWLSCSKDSA-N 1 2 347.415 2.206 20 30 EEEDLO Cc1cc([C@@H]2CCCN2C(=O)NC[C@H]2CCc3[nH+]ccn3C2)on1 ZINC000329927331 465477158 /nfs/dbraw/zinc/47/71/58/465477158.db2.gz WWFOYDZSGUWUTN-KGLIPLIRSA-N 1 2 329.404 2.493 20 30 EEEDLO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CCOc2ccc(F)cc2C1 ZINC000329972859 465493394 /nfs/dbraw/zinc/49/33/94/465493394.db2.gz YICZBKTWPGWHRD-ZDUSSCGKSA-N 1 2 344.390 2.393 20 30 EEEDLO C=CCc1cc(C[N@H+]2CC[C@H](OC)C[C@H]2C(=O)OC)cc(OC)c1O ZINC000360002016 465517865 /nfs/dbraw/zinc/51/78/65/465517865.db2.gz XFSIRPSQXUYADL-HOTGVXAUSA-N 1 2 349.427 2.282 20 30 EEEDLO C=CCc1cc(C[N@@H+]2CC[C@H](OC)C[C@H]2C(=O)OC)cc(OC)c1O ZINC000360002016 465517870 /nfs/dbraw/zinc/51/78/70/465517870.db2.gz XFSIRPSQXUYADL-HOTGVXAUSA-N 1 2 349.427 2.282 20 30 EEEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000348317561 465548070 /nfs/dbraw/zinc/54/80/70/465548070.db2.gz KKYIWLWPMXCYRQ-DLBZAZTESA-N 1 2 346.862 2.191 20 30 EEEDLO O=C(C[N@@H+]1CCc2n[nH]c(=O)cc2C1)N[C@@H]1CCOc2ccccc21 ZINC000330165516 465555902 /nfs/dbraw/zinc/55/59/02/465555902.db2.gz UNJSDJFCTRXZFW-OAHLLOKOSA-N 1 2 340.383 2.021 20 30 EEEDLO O=C(C[N@H+]1CCc2n[nH]c(=O)cc2C1)N[C@@H]1CCOc2ccccc21 ZINC000330165516 465555908 /nfs/dbraw/zinc/55/59/08/465555908.db2.gz UNJSDJFCTRXZFW-OAHLLOKOSA-N 1 2 340.383 2.021 20 30 EEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000352792399 465556212 /nfs/dbraw/zinc/55/62/12/465556212.db2.gz MDHSMJQUVAQJKE-AWEZNQCLSA-N 1 2 346.349 2.313 20 30 EEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000352792399 465556214 /nfs/dbraw/zinc/55/62/14/465556214.db2.gz MDHSMJQUVAQJKE-AWEZNQCLSA-N 1 2 346.349 2.313 20 30 EEEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NC(=O)NCC ZINC000352913973 465569381 /nfs/dbraw/zinc/56/93/81/465569381.db2.gz JJTFHPGAYWQXIY-AWEZNQCLSA-N 1 2 335.452 2.076 20 30 EEEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NC(=O)NCC ZINC000352913973 465569385 /nfs/dbraw/zinc/56/93/85/465569385.db2.gz JJTFHPGAYWQXIY-AWEZNQCLSA-N 1 2 335.452 2.076 20 30 EEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCOC[C@H](C2CCC2)C1 ZINC000330229207 465578834 /nfs/dbraw/zinc/57/88/34/465578834.db2.gz VSHMDYSJRFUHPS-JKSUJKDBSA-N 1 2 332.448 2.423 20 30 EEEDLO C=CCSc1ccccc1C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000362399825 465707293 /nfs/dbraw/zinc/70/72/93/465707293.db2.gz DCRNDWQYBBCUGO-HNNXBMFYSA-N 1 2 333.501 2.330 20 30 EEEDLO O=C([C@@H]1CCCO1)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000366471501 465747756 /nfs/dbraw/zinc/74/77/56/465747756.db2.gz VUHMWORZVIAESG-SFHVURJKSA-N 1 2 346.858 2.405 20 30 EEEDLO O=C([C@@H]1CCCO1)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000366471501 465747760 /nfs/dbraw/zinc/74/77/60/465747760.db2.gz VUHMWORZVIAESG-SFHVURJKSA-N 1 2 346.858 2.405 20 30 EEEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)CCC2 ZINC000366704831 465888144 /nfs/dbraw/zinc/88/81/44/465888144.db2.gz SYAFWTJDDPLNGG-GFCCVEGCSA-N 1 2 348.403 2.058 20 30 EEEDLO COc1cc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)cc(OC)c1 ZINC000353457436 465898423 /nfs/dbraw/zinc/89/84/23/465898423.db2.gz ZCJGNUHQCFNWMN-SFHVURJKSA-N 1 2 333.432 2.190 20 30 EEEDLO COc1cc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)cc(OC)c1 ZINC000353457436 465898427 /nfs/dbraw/zinc/89/84/27/465898427.db2.gz ZCJGNUHQCFNWMN-SFHVURJKSA-N 1 2 333.432 2.190 20 30 EEEDLO Cc1nn(CC(F)(F)F)cc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000331056283 465914650 /nfs/dbraw/zinc/91/46/50/465914650.db2.gz LAXKSHTUTXPRCG-UHFFFAOYSA-N 1 2 348.369 2.169 20 30 EEEDLO Cc1nn(CC(F)(F)F)cc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000331056283 465914655 /nfs/dbraw/zinc/91/46/55/465914655.db2.gz LAXKSHTUTXPRCG-UHFFFAOYSA-N 1 2 348.369 2.169 20 30 EEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC(F)(F)[C@H](CO)C3)o2)cc1 ZINC000361426905 465988083 /nfs/dbraw/zinc/98/80/83/465988083.db2.gz QXLYSFQQSFVNBQ-ZDUSSCGKSA-N 1 2 334.326 2.058 20 30 EEEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC(F)(F)[C@H](CO)C3)o2)cc1 ZINC000361426905 465988089 /nfs/dbraw/zinc/98/80/89/465988089.db2.gz QXLYSFQQSFVNBQ-ZDUSSCGKSA-N 1 2 334.326 2.058 20 30 EEEDLO CC[C@@H](C)c1nc(C)c(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c(C)n1 ZINC000594024125 468466063 /nfs/dbraw/zinc/46/60/63/468466063.db2.gz CGCBHWRUMMDETD-KZULUSFZSA-N 1 2 331.464 2.110 20 30 EEEDLO CCS(=O)(=O)N(C)CCCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331329067 466033659 /nfs/dbraw/zinc/03/36/59/466033659.db2.gz NVXGUYHAJNARGL-UHFFFAOYSA-N 1 2 342.465 2.004 20 30 EEEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000580657742 468481711 /nfs/dbraw/zinc/48/17/11/468481711.db2.gz WYJBWACNZLDTBT-QGZVFWFLSA-N 1 2 329.444 2.133 20 30 EEEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(F)(c2cccnc2)CC1)C1CC1 ZINC000367464507 466357343 /nfs/dbraw/zinc/35/73/43/466357343.db2.gz TYKJGCJDBDUTGR-QGZVFWFLSA-N 1 2 330.407 2.151 20 30 EEEDLO CCCCCCCS(=O)(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000375624830 466850673 /nfs/dbraw/zinc/85/06/73/466850673.db2.gz QWQVTAGZVJXREO-HOTGVXAUSA-N 1 2 332.510 2.082 20 30 EEEDLO C#CCCOc1ccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C(=O)OC)cc1 ZINC000376823407 466935881 /nfs/dbraw/zinc/93/58/81/466935881.db2.gz PHDACNFZANHJRY-ZWKOTPCHSA-N 1 2 331.412 2.241 20 30 EEEDLO C#CCCOc1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C(=O)OC)cc1 ZINC000376823407 466935883 /nfs/dbraw/zinc/93/58/83/466935883.db2.gz PHDACNFZANHJRY-ZWKOTPCHSA-N 1 2 331.412 2.241 20 30 EEEDLO COc1ccc(C(=O)N2CCN(c3cc(C)[nH+]cc3C#N)CC2)cc1 ZINC000425212415 467088687 /nfs/dbraw/zinc/08/86/87/467088687.db2.gz VYHRXZLRGUNXTC-UHFFFAOYSA-N 1 2 336.395 2.233 20 30 EEEDLO Cc1cc(NCCCCN2C(=O)c3ccccc3C2=O)c(C#N)c[nH+]1 ZINC000425226101 467089176 /nfs/dbraw/zinc/08/91/76/467089176.db2.gz MOAZZHNUMPJMRX-UHFFFAOYSA-N 1 2 334.379 2.172 20 30 EEEDLO Cc1cc(N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000425247460 467090231 /nfs/dbraw/zinc/09/02/31/467090231.db2.gz ZPXUDNFSSKBNBN-GOSISDBHSA-N 1 2 334.423 2.329 20 30 EEEDLO COC(=O)c1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)s1 ZINC000425481254 467097934 /nfs/dbraw/zinc/09/79/34/467097934.db2.gz FYIJQIRTDRLODO-SNVBAGLBSA-N 1 2 344.396 2.091 20 30 EEEDLO COC(=O)c1cnc([C@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)s1 ZINC000425492981 467098284 /nfs/dbraw/zinc/09/82/84/467098284.db2.gz UOTFWBPVTLLRGZ-JTQLQIEISA-N 1 2 344.396 2.091 20 30 EEEDLO C=CCC(C)(C)CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000432081287 467212960 /nfs/dbraw/zinc/21/29/60/467212960.db2.gz QRQZHNFDNGEPCB-QGZVFWFLSA-N 1 2 341.521 2.096 20 30 EEEDLO N#CC1(CNC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CCC1 ZINC000419618758 467226345 /nfs/dbraw/zinc/22/63/45/467226345.db2.gz ADLRLWYTXZQOLD-UHFFFAOYSA-N 1 2 330.407 2.347 20 30 EEEDLO C=CCC[C@@H]1NC(=O)N(C[C@@H](c2cccs2)[NH+]2CCOCC2)C1=O ZINC000419912773 467266266 /nfs/dbraw/zinc/26/62/66/467266266.db2.gz KCBYHIBZOUUJHL-KBPBESRZSA-N 1 2 349.456 2.008 20 30 EEEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000429237111 467315083 /nfs/dbraw/zinc/31/50/83/467315083.db2.gz JXPAPQWWGMMDQU-AUUYWEPGSA-N 1 2 344.434 2.145 20 30 EEEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000429237111 467315084 /nfs/dbraw/zinc/31/50/84/467315084.db2.gz JXPAPQWWGMMDQU-AUUYWEPGSA-N 1 2 344.434 2.145 20 30 EEEDLO CC(C)OCC[NH+]1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)CC1 ZINC000433361399 467323638 /nfs/dbraw/zinc/32/36/38/467323638.db2.gz HRWZDXJTMUDRKV-LJQANCHMSA-N 1 2 343.471 2.328 20 30 EEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429712261 467360745 /nfs/dbraw/zinc/36/07/45/467360745.db2.gz BCERBIFVHFHDEU-HNNXBMFYSA-N 1 2 348.410 2.479 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(Oc2cccnc2)cc1 ZINC000414125556 467380206 /nfs/dbraw/zinc/38/02/06/467380206.db2.gz NAHIMHPPKLCFLM-HNNXBMFYSA-N 1 2 327.384 2.459 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(Oc2cccnc2)cc1 ZINC000414125556 467380209 /nfs/dbraw/zinc/38/02/09/467380209.db2.gz NAHIMHPPKLCFLM-HNNXBMFYSA-N 1 2 327.384 2.459 20 30 EEEDLO Cc1cc(OC[C@@H](O)C[N@@H+](C)CCC#N)ccc1Br ZINC000414149876 467383903 /nfs/dbraw/zinc/38/39/03/467383903.db2.gz VERXMYZNUJUTOH-LBPRGKRZSA-N 1 2 327.222 2.343 20 30 EEEDLO Cc1cc(OC[C@@H](O)C[N@H+](C)CCC#N)ccc1Br ZINC000414149876 467383898 /nfs/dbraw/zinc/38/38/98/467383898.db2.gz VERXMYZNUJUTOH-LBPRGKRZSA-N 1 2 327.222 2.343 20 30 EEEDLO N#CCc1ccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1 ZINC000436832747 467555227 /nfs/dbraw/zinc/55/52/27/467555227.db2.gz IIFPURBERYRIIV-UHFFFAOYSA-N 1 2 335.407 2.416 20 30 EEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000442843570 467578009 /nfs/dbraw/zinc/57/80/09/467578009.db2.gz KEICCYYXFFCXMC-IBGZPJMESA-N 1 2 343.427 2.094 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(Oc2cccc(F)c2)CC1)C1CC1 ZINC000528572847 467706206 /nfs/dbraw/zinc/70/62/06/467706206.db2.gz JFGMDZXJBXRJTG-IBGZPJMESA-N 1 2 345.418 2.477 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000496954090 467751875 /nfs/dbraw/zinc/75/18/75/467751875.db2.gz DJOAIGSDHVLRHP-ZDUSSCGKSA-N 1 2 344.415 2.048 20 30 EEEDLO C=CCc1cc(CNC(=O)C=Cc2c[nH]c[nH+]2)cc(OC)c1OC ZINC000492905344 467790644 /nfs/dbraw/zinc/79/06/44/467790644.db2.gz ZYJUPGNJKHKTFG-SREVYHEPSA-N 1 2 327.384 2.485 20 30 EEEDLO C#CC[C@H]([NH2+][C@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)OC ZINC000497070996 467818632 /nfs/dbraw/zinc/81/86/32/467818632.db2.gz IJRUMTRAZRZJKG-ILXRZTDVSA-N 1 2 338.448 2.319 20 30 EEEDLO CC[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)[C@H](CC)CN1C(C)=O ZINC000472354857 467987847 /nfs/dbraw/zinc/98/78/47/467987847.db2.gz ZQURADDOEXDTJU-IAGOWNOFSA-N 1 2 348.491 2.050 20 30 EEEDLO CC[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)[C@H](CC)CN1C(C)=O ZINC000472354857 467987848 /nfs/dbraw/zinc/98/78/48/467987848.db2.gz ZQURADDOEXDTJU-IAGOWNOFSA-N 1 2 348.491 2.050 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000516654670 468040380 /nfs/dbraw/zinc/04/03/80/468040380.db2.gz QWGVUBWVZVDRGE-UVWXRNBGSA-N 1 2 325.334 2.167 20 30 EEEDLO N#CCCCC(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000518271973 468110919 /nfs/dbraw/zinc/11/09/19/468110919.db2.gz IXQPTZCEUVZOFS-UHFFFAOYSA-N 1 2 326.322 2.443 20 30 EEEDLO CC[N@@H+](CCC#N)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532566623 468124320 /nfs/dbraw/zinc/12/43/20/468124320.db2.gz FBJJLKWRBZBGDM-UHFFFAOYSA-N 1 2 335.205 2.193 20 30 EEEDLO CC[N@H+](CCC#N)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532566623 468124317 /nfs/dbraw/zinc/12/43/17/468124317.db2.gz FBJJLKWRBZBGDM-UHFFFAOYSA-N 1 2 335.205 2.193 20 30 EEEDLO COc1ccc(Br)c(C[NH+]2CCN(CCC#N)CC2)c1 ZINC000589257470 468138607 /nfs/dbraw/zinc/13/86/07/468138607.db2.gz APMGXYRJXMMXHY-UHFFFAOYSA-N 1 2 338.249 2.489 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CC(=O)NCc1ccccc1 ZINC000576744372 468171221 /nfs/dbraw/zinc/17/12/21/468171221.db2.gz JJAAIXUBZGRQBC-MRXNPFEDSA-N 1 2 331.460 2.048 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000576744372 468171226 /nfs/dbraw/zinc/17/12/26/468171226.db2.gz JJAAIXUBZGRQBC-MRXNPFEDSA-N 1 2 331.460 2.048 20 30 EEEDLO COC(=O)c1ccc2ccccc2c1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000577203845 468180618 /nfs/dbraw/zinc/18/06/18/468180618.db2.gz WUHBBGKSPTXLBF-HNNXBMFYSA-N 1 2 342.395 2.212 20 30 EEEDLO COC(=O)c1ccc2ccccc2c1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000577203845 468180622 /nfs/dbraw/zinc/18/06/22/468180622.db2.gz WUHBBGKSPTXLBF-HNNXBMFYSA-N 1 2 342.395 2.212 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccc(Cl)cc3)n[nH]2)CC1 ZINC000490617588 468225737 /nfs/dbraw/zinc/22/57/37/468225737.db2.gz RJPPHYNWFPZVJS-UHFFFAOYSA-N 1 2 343.818 2.409 20 30 EEEDLO C=CC1CC[NH+]([C@@H]2CC(=O)N(c3ccsc3C(=O)OC)C2=O)CC1 ZINC000556582650 468535336 /nfs/dbraw/zinc/53/53/36/468535336.db2.gz TZGPTBNLBBXZJD-CYBMUJFWSA-N 1 2 348.424 2.065 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1C#N ZINC000594422327 468580243 /nfs/dbraw/zinc/58/02/43/468580243.db2.gz XQSAEXRWOSZMNO-UONOGXRCSA-N 1 2 346.456 2.127 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1C#N ZINC000594422327 468580249 /nfs/dbraw/zinc/58/02/49/468580249.db2.gz XQSAEXRWOSZMNO-UONOGXRCSA-N 1 2 346.456 2.127 20 30 EEEDLO CCOc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@H](CC#N)C3)C2=O)cc1 ZINC000594659552 468645781 /nfs/dbraw/zinc/64/57/81/468645781.db2.gz DWONBCRULHTFGP-RHSMWYFYSA-N 1 2 341.411 2.343 20 30 EEEDLO CCOc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@H](CC#N)C3)C2=O)cc1 ZINC000594659552 468645788 /nfs/dbraw/zinc/64/57/88/468645788.db2.gz DWONBCRULHTFGP-RHSMWYFYSA-N 1 2 341.411 2.343 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)C(C)(C)CO ZINC000597846378 468691436 /nfs/dbraw/zinc/69/14/36/468691436.db2.gz KZWOPPCDOORTMD-AWEZNQCLSA-N 1 2 346.818 2.435 20 30 EEEDLO CC[N@H+](Cc1nnnn1C1CCOCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000571501523 468795712 /nfs/dbraw/zinc/79/57/12/468795712.db2.gz REQQQQUTHGGORN-CQSZACIVSA-N 1 2 340.431 2.479 20 30 EEEDLO CC[N@@H+](Cc1nnnn1C1CCOCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000571501523 468795716 /nfs/dbraw/zinc/79/57/16/468795716.db2.gz REQQQQUTHGGORN-CQSZACIVSA-N 1 2 340.431 2.479 20 30 EEEDLO N#Cc1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601258109 468801469 /nfs/dbraw/zinc/80/14/69/468801469.db2.gz XBQGJMQFVGWSOS-UHFFFAOYSA-N 1 2 338.367 2.494 20 30 EEEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000595611900 468922011 /nfs/dbraw/zinc/92/20/11/468922011.db2.gz OUANNZZEJQJUDV-CQSZACIVSA-N 1 2 337.445 2.190 20 30 EEEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000595611900 468922015 /nfs/dbraw/zinc/92/20/15/468922015.db2.gz OUANNZZEJQJUDV-CQSZACIVSA-N 1 2 337.445 2.190 20 30 EEEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000598593132 468926120 /nfs/dbraw/zinc/92/61/20/468926120.db2.gz QPFCZJXZFAPTML-INIZCTEOSA-N 1 2 349.862 2.285 20 30 EEEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000598593132 468926123 /nfs/dbraw/zinc/92/61/23/468926123.db2.gz QPFCZJXZFAPTML-INIZCTEOSA-N 1 2 349.862 2.285 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc(Br)cc1F ZINC000598837598 469020000 /nfs/dbraw/zinc/02/00/00/469020000.db2.gz XDJFPLWPFDGVJJ-AWEZNQCLSA-N 1 2 342.212 2.091 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000595822628 469027749 /nfs/dbraw/zinc/02/77/49/469027749.db2.gz YISGHOZEZAYNQR-UHFFFAOYSA-N 1 2 325.412 2.388 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000595822628 469027755 /nfs/dbraw/zinc/02/77/55/469027755.db2.gz YISGHOZEZAYNQR-UHFFFAOYSA-N 1 2 325.412 2.388 20 30 EEEDLO Cc1cc(C[N@@H+]2CCc3c(cccc3S(N)(=O)=O)C2)ccc1C#N ZINC000602751605 469054002 /nfs/dbraw/zinc/05/40/02/469054002.db2.gz PTAVFBBUXNGXAK-UHFFFAOYSA-N 1 2 341.436 2.072 20 30 EEEDLO Cc1cc(C[N@H+]2CCc3c(cccc3S(N)(=O)=O)C2)ccc1C#N ZINC000602751605 469054007 /nfs/dbraw/zinc/05/40/07/469054007.db2.gz PTAVFBBUXNGXAK-UHFFFAOYSA-N 1 2 341.436 2.072 20 30 EEEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3ccccn3)CC2)c1 ZINC000602771862 469064813 /nfs/dbraw/zinc/06/48/13/469064813.db2.gz HMLFFHMYEPYHCF-UHFFFAOYSA-N 1 2 336.395 2.435 20 30 EEEDLO N#CC1(NC(=O)C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CCC1 ZINC000615227724 469185821 /nfs/dbraw/zinc/18/58/21/469185821.db2.gz IOURJZDFFZHWJD-RKDXNWHRSA-N 1 2 343.271 2.221 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000563220466 469203468 /nfs/dbraw/zinc/20/34/68/469203468.db2.gz OOZFHMMDVITIPQ-KRWDZBQOSA-N 1 2 346.431 2.447 20 30 EEEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599309033 469203868 /nfs/dbraw/zinc/20/38/68/469203868.db2.gz CVDZAPMZMVGPHL-HZPDHXFCSA-N 1 2 346.427 2.104 20 30 EEEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599309033 469203871 /nfs/dbraw/zinc/20/38/71/469203871.db2.gz CVDZAPMZMVGPHL-HZPDHXFCSA-N 1 2 346.427 2.104 20 30 EEEDLO N#Cc1cc(O)cc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000589189713 469209260 /nfs/dbraw/zinc/20/92/60/469209260.db2.gz HQYDDAPWGCXHJT-UHFFFAOYSA-N 1 2 339.370 2.361 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000611432298 469249570 /nfs/dbraw/zinc/24/95/70/469249570.db2.gz RUQQTCBAKPAFOU-XDNAFOTISA-N 1 2 334.508 2.330 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000564660782 469256100 /nfs/dbraw/zinc/25/61/00/469256100.db2.gz MDOAKRLBYRQQOD-CQSZACIVSA-N 1 2 340.214 2.215 20 30 EEEDLO N#Cc1cccc(NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)c1 ZINC000596481980 469280201 /nfs/dbraw/zinc/28/02/01/469280201.db2.gz NXYOUDMBPRGURW-UHFFFAOYSA-N 1 2 328.416 2.134 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2cc([N+](=O)[O-])ccc2OC(C)C)nn1 ZINC000603216066 469312791 /nfs/dbraw/zinc/31/27/91/469312791.db2.gz RZYGEDNBWSOMEM-UHFFFAOYSA-N 1 2 343.387 2.135 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000609484634 469932046 /nfs/dbraw/zinc/93/20/46/469932046.db2.gz DIBGMUQGKOMMLB-XMTFNYHQSA-N 1 2 334.508 2.045 20 30 EEEDLO COc1ccc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000609484951 469932105 /nfs/dbraw/zinc/93/21/05/469932105.db2.gz SOSSPVBPFODVPL-MRXNPFEDSA-N 1 2 332.404 2.269 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634302421 470242462 /nfs/dbraw/zinc/24/24/62/470242462.db2.gz CZFXLIORSVOOSO-CQSZACIVSA-N 1 2 335.473 2.232 20 30 EEEDLO C=CCn1cc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)nn1 ZINC000648737867 470330470 /nfs/dbraw/zinc/33/04/70/470330470.db2.gz NGCIFORZNUIGEF-UHFFFAOYSA-N 1 2 340.431 2.170 20 30 EEEDLO C=CCn1cc(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)nn1 ZINC000648768068 470341168 /nfs/dbraw/zinc/34/11/68/470341168.db2.gz OEERBYMHFNAUCT-CQSZACIVSA-N 1 2 343.406 2.122 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)C(CC)CC)CC1 ZINC000642099402 470523512 /nfs/dbraw/zinc/52/35/12/470523512.db2.gz SLYBJKGVZBKTQO-INIZCTEOSA-N 1 2 337.508 2.380 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633898131 470627053 /nfs/dbraw/zinc/62/70/53/470627053.db2.gz UILYJFKEUZFJOK-IBGZPJMESA-N 1 2 332.444 2.265 20 30 EEEDLO C(#CC[N@@H+]1CCC[C@@H]1c1ncccn1)CN1CCC[C@H]1c1ncccn1 ZINC000639867504 470702207 /nfs/dbraw/zinc/70/22/07/470702207.db2.gz KOJCCAQPRYFMNT-HDICACEKSA-N 1 2 348.454 2.244 20 30 EEEDLO C(#CC[N@H+]1CCC[C@@H]1c1ncccn1)CN1CCC[C@H]1c1ncccn1 ZINC000639867504 470702210 /nfs/dbraw/zinc/70/22/10/470702210.db2.gz KOJCCAQPRYFMNT-HDICACEKSA-N 1 2 348.454 2.244 20 30 EEEDLO C(#CC[N@@H+]1CCC[C@H]1c1ncccn1)CN1CCC[C@@H]1c1ncccn1 ZINC000639867504 470702214 /nfs/dbraw/zinc/70/22/14/470702214.db2.gz KOJCCAQPRYFMNT-HDICACEKSA-N 1 2 348.454 2.244 20 30 EEEDLO C(#CC[N@H+]1CCC[C@H]1c1ncccn1)CN1CCC[C@@H]1c1ncccn1 ZINC000639867504 470702216 /nfs/dbraw/zinc/70/22/16/470702216.db2.gz KOJCCAQPRYFMNT-HDICACEKSA-N 1 2 348.454 2.244 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2cn3cc(Cl)cc(Cl)c3n2)nn1 ZINC000641019787 471164750 /nfs/dbraw/zinc/16/47/50/471164750.db2.gz XFMJHJKNVOEGDX-UHFFFAOYSA-N 1 2 349.225 2.394 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000684783202 485996822 /nfs/dbraw/zinc/99/68/22/485996822.db2.gz UUHCLSHAOKBYKD-RTBURBONSA-N 1 2 344.455 2.230 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)C1=O ZINC000685003254 486062584 /nfs/dbraw/zinc/06/25/84/486062584.db2.gz RVEORBRWFNHLTO-LSDHHAIUSA-N 1 2 342.361 2.199 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)C1=O ZINC000685003254 486062589 /nfs/dbraw/zinc/06/25/89/486062589.db2.gz RVEORBRWFNHLTO-LSDHHAIUSA-N 1 2 342.361 2.199 20 30 EEEDLO C=CC[C@H](C(=O)N1CCN(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000427097047 534325677 /nfs/dbraw/zinc/32/56/77/534325677.db2.gz NWMNRQZJUQUAIP-SFHVURJKSA-N 1 2 338.455 2.424 20 30 EEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000191100727 526300555 /nfs/dbraw/zinc/30/05/55/526300555.db2.gz VKVHUZQQFUZRJW-UHFFFAOYSA-N 1 2 332.448 2.145 20 30 EEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000191100727 526300559 /nfs/dbraw/zinc/30/05/59/526300559.db2.gz VKVHUZQQFUZRJW-UHFFFAOYSA-N 1 2 332.448 2.145 20 30 EEEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 ZINC000132358139 527326008 /nfs/dbraw/zinc/32/60/08/527326008.db2.gz YONCNWBPCIJAKY-UHFFFAOYSA-N 1 2 338.458 2.295 20 30 EEEDLO Cc1nc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000725793038 576028587 /nfs/dbraw/zinc/02/85/87/576028587.db2.gz TVIOXRWGDGZWSL-UHFFFAOYSA-N 1 2 346.456 2.121 20 30 EEEDLO CCCC[C@@H]1CCCC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000727253709 576415517 /nfs/dbraw/zinc/41/55/17/576415517.db2.gz GSGVTQUHJALEBF-CQSZACIVSA-N 1 2 326.510 2.129 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)nc1 ZINC000728802817 576530388 /nfs/dbraw/zinc/53/03/88/576530388.db2.gz FSAJNMNYNJDXIQ-KRWDZBQOSA-N 1 2 334.354 2.455 20 30 EEEDLO C[NH+]1CCN(c2ccc(C=[NH+][N-]c3ccc(Cl)nn3)cc2)CC1 ZINC000771553296 577217887 /nfs/dbraw/zinc/21/78/87/577217887.db2.gz NDYMIBYYLJKKRO-UHFFFAOYSA-N 1 2 330.823 2.328 20 30 EEEDLO C#C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CCCO1 ZINC000773201322 577322594 /nfs/dbraw/zinc/32/25/94/577322594.db2.gz VLKJUNAVHVOHTA-SJORKVTESA-N 1 2 342.443 2.052 20 30 EEEDLO N#Cc1c2c(cn(C[NH+]3CCC([C@H]4CCCO4)CC3)c1=O)CCC2 ZINC000766633607 577522459 /nfs/dbraw/zinc/52/24/59/577522459.db2.gz HGHOIDGFKKTNJJ-GOSISDBHSA-N 1 2 327.428 2.057 20 30 EEEDLO CN(C)c1cc(COC(=O)c2ccc(NC(=O)CC#N)cc2)cc[nH+]1 ZINC000767424703 577536754 /nfs/dbraw/zinc/53/67/54/577536754.db2.gz CDXSFSJHMJDRQR-UHFFFAOYSA-N 1 2 338.367 2.357 20 30 EEEDLO C#CCNC(=S)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000758922720 577633600 /nfs/dbraw/zinc/63/36/00/577633600.db2.gz LEXFJKXJBGODGD-UHFFFAOYSA-N 1 2 337.246 2.003 20 30 EEEDLO C[C@H](C(=O)OCc1cn2ccccc2c1C#N)[NH+]1CCSCC1 ZINC000759807377 577650719 /nfs/dbraw/zinc/65/07/19/577650719.db2.gz DWMFPKNOTFRNCZ-CYBMUJFWSA-N 1 2 329.425 2.291 20 30 EEEDLO C#CCOCCNC(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000753377893 577786207 /nfs/dbraw/zinc/78/62/07/577786207.db2.gz JJVMFMCHXAYHPF-HNNXBMFYSA-N 1 2 349.862 2.378 20 30 EEEDLO Cc1nc(C#N)c(N=NCc2c(-n3cc[nH+]c3)nc3ccccn32)o1 ZINC000755660537 577828706 /nfs/dbraw/zinc/82/87/06/577828706.db2.gz GMVKIQXCIBPWPN-UHFFFAOYSA-N 1 2 332.327 2.134 20 30 EEEDLO C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000745104521 577909084 /nfs/dbraw/zinc/90/90/84/577909084.db2.gz NCUGYDFFFNSRHH-DOTOQJQBSA-N 1 2 330.428 2.275 20 30 EEEDLO C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000745104521 577909085 /nfs/dbraw/zinc/90/90/85/577909085.db2.gz NCUGYDFFFNSRHH-DOTOQJQBSA-N 1 2 330.428 2.275 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2csc(Nc3ccccn3)n2)CC1 ZINC000736073883 578179479 /nfs/dbraw/zinc/17/94/79/578179479.db2.gz KSNYDCSHUIFXQX-UHFFFAOYSA-N 1 2 341.440 2.063 20 30 EEEDLO N#Cc1c(F)cccc1N1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001058490750 674612455 /nfs/dbraw/zinc/61/24/55/674612455.db2.gz PNNXTIYLBRJJIE-ZDUSSCGKSA-N 1 2 349.369 2.354 20 30 EEEDLO Cc1ncoc1C(=O)N[C@@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969456441 675048510 /nfs/dbraw/zinc/04/85/10/675048510.db2.gz MIQUXQIWVWWTPI-NSHDSACASA-N 1 2 342.374 2.244 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nnc(CC)o3)C2)cc1 ZINC000969548059 675096029 /nfs/dbraw/zinc/09/60/29/675096029.db2.gz FGFNGTRQDNMZRI-XJKSGUPXSA-N 1 2 338.411 2.179 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2nc3ccccn3c2F)C1 ZINC000970688425 676079212 /nfs/dbraw/zinc/07/92/12/676079212.db2.gz ZOUIBOOEKXKHOE-LLVKDONJSA-N 1 2 336.798 2.276 20 30 EEEDLO C=C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1)c1ccccc1 ZINC000970777074 676142627 /nfs/dbraw/zinc/14/26/27/676142627.db2.gz LMVSLQHUWFOVRY-GDBMZVCRSA-N 1 2 328.441 2.198 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2COc3ccccc3O2)C1 ZINC000970834310 676189166 /nfs/dbraw/zinc/18/91/66/676189166.db2.gz YCVCAJJJKHDSTR-BLLLJJGKSA-N 1 2 336.819 2.015 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnn3c2cccc3OC)C1 ZINC000969782476 675203013 /nfs/dbraw/zinc/20/30/13/675203013.db2.gz LLXWUZJHUASUJK-GFCCVEGCSA-N 1 2 348.834 2.146 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC000970236890 675732907 /nfs/dbraw/zinc/73/29/07/675732907.db2.gz JBPJSEVNXGIFBP-IUODEOHRSA-N 1 2 347.846 2.301 20 30 EEEDLO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001067567428 676283137 /nfs/dbraw/zinc/28/31/37/676283137.db2.gz IZCSOGFLJFBTOE-UHFFFAOYSA-N 1 2 334.464 2.016 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001067501383 676373118 /nfs/dbraw/zinc/37/31/18/676373118.db2.gz AFMVMARYIKMTGB-UHFFFAOYSA-N 1 2 334.464 2.252 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001067501383 676373119 /nfs/dbraw/zinc/37/31/19/676373119.db2.gz AFMVMARYIKMTGB-UHFFFAOYSA-N 1 2 334.464 2.252 20 30 EEEDLO CC[C@H](OC)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971191582 676435602 /nfs/dbraw/zinc/43/56/02/676435602.db2.gz NLAJKKIYBPMOSE-IRXDYDNUSA-N 1 2 333.407 2.155 20 30 EEEDLO CC[C@H](OC)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971191582 676435603 /nfs/dbraw/zinc/43/56/03/676435603.db2.gz NLAJKKIYBPMOSE-IRXDYDNUSA-N 1 2 333.407 2.155 20 30 EEEDLO CC(C)c1ocnc1C[N@H+](C)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971287448 676471350 /nfs/dbraw/zinc/47/13/50/676471350.db2.gz DMBWUEBGIIWCEB-AWEZNQCLSA-N 1 2 341.415 2.344 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971287448 676471352 /nfs/dbraw/zinc/47/13/52/676471352.db2.gz DMBWUEBGIIWCEB-AWEZNQCLSA-N 1 2 341.415 2.344 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2nnc(C)o2)C1 ZINC000971686839 676740501 /nfs/dbraw/zinc/74/05/01/676740501.db2.gz GFQUOPGIPKKJMU-UKRRQHHQSA-N 1 2 343.431 2.273 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2nnc(C)o2)C1 ZINC000971686839 676740502 /nfs/dbraw/zinc/74/05/02/676740502.db2.gz GFQUOPGIPKKJMU-UKRRQHHQSA-N 1 2 343.431 2.273 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(C(C)(C)C)nc3C)C2)C1 ZINC000972373374 678621118 /nfs/dbraw/zinc/62/11/18/678621118.db2.gz JKKBSNOPAIKAOS-LJQANCHMSA-N 1 2 346.475 2.049 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(C(C)(C)C)nc3C)C2)C1 ZINC000972373374 678621121 /nfs/dbraw/zinc/62/11/21/678621121.db2.gz JKKBSNOPAIKAOS-LJQANCHMSA-N 1 2 346.475 2.049 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cccc(CC)c3)C2)C1 ZINC000972436745 678739052 /nfs/dbraw/zinc/73/90/52/678739052.db2.gz DCARPGIOYOPWKQ-OAQYLSRUSA-N 1 2 340.467 2.118 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cccc(CC)c3)C2)C1 ZINC000972436745 678739056 /nfs/dbraw/zinc/73/90/56/678739056.db2.gz DCARPGIOYOPWKQ-OAQYLSRUSA-N 1 2 340.467 2.118 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)n(CC)c3C)C2)C1 ZINC000972456383 678783458 /nfs/dbraw/zinc/78/34/58/678783458.db2.gz YJWDGVHJJSGPAT-LJQANCHMSA-N 1 2 331.460 2.228 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)n(CC)c3C)C2)C1 ZINC000972456383 678783460 /nfs/dbraw/zinc/78/34/60/678783460.db2.gz YJWDGVHJJSGPAT-LJQANCHMSA-N 1 2 331.460 2.228 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(CC4CC4)s3)C2)C1 ZINC000972473238 678827190 /nfs/dbraw/zinc/82/71/90/678827190.db2.gz ASPPSVCQVDVGPO-SFHVURJKSA-N 1 2 347.484 2.199 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(CC4CC4)s3)C2)C1 ZINC000972473238 678827196 /nfs/dbraw/zinc/82/71/96/678827196.db2.gz ASPPSVCQVDVGPO-SFHVURJKSA-N 1 2 347.484 2.199 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2n[nH]cc2C)C[C@H]1C ZINC000947290077 678919944 /nfs/dbraw/zinc/91/99/44/678919944.db2.gz CGGGGFFRVBPRAB-VXGBXAGGSA-N 1 2 341.253 2.209 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]cc2C)C[C@H]1C ZINC000947290077 678919948 /nfs/dbraw/zinc/91/99/48/678919948.db2.gz CGGGGFFRVBPRAB-VXGBXAGGSA-N 1 2 341.253 2.209 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H](CNC(=O)c2cocn2)C1 ZINC001023261607 679212416 /nfs/dbraw/zinc/21/24/16/679212416.db2.gz KLQHWWLLVCPMDQ-NSHDSACASA-N 1 2 328.210 2.025 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H](CNC(=O)c2cocn2)C1 ZINC001023261607 679212417 /nfs/dbraw/zinc/21/24/17/679212417.db2.gz KLQHWWLLVCPMDQ-NSHDSACASA-N 1 2 328.210 2.025 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Cc3ccccc3F)C2)C1 ZINC000972548888 679252711 /nfs/dbraw/zinc/25/27/11/679252711.db2.gz JYORBSZSZUNXEX-OXJNMPFZSA-N 1 2 346.446 2.494 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Cc3ccccc3F)C2)C1 ZINC000972548888 679252712 /nfs/dbraw/zinc/25/27/12/679252712.db2.gz JYORBSZSZUNXEX-OXJNMPFZSA-N 1 2 346.446 2.494 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000972573626 679329769 /nfs/dbraw/zinc/32/97/69/679329769.db2.gz RMXCLOWVMBVAOT-LJQANCHMSA-N 1 2 325.412 2.271 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000972573626 679329770 /nfs/dbraw/zinc/32/97/70/679329770.db2.gz RMXCLOWVMBVAOT-LJQANCHMSA-N 1 2 325.412 2.271 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(OCC)c(C)c3)C2)C1 ZINC000972578157 679339940 /nfs/dbraw/zinc/33/99/40/679339940.db2.gz PXDARVBJXLRALU-HXUWFJFHSA-N 1 2 344.455 2.497 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(OCC)c(C)c3)C2)C1 ZINC000972578157 679339943 /nfs/dbraw/zinc/33/99/43/679339943.db2.gz PXDARVBJXLRALU-HXUWFJFHSA-N 1 2 344.455 2.497 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ncc(C)cn3)C2)cc1 ZINC001023526092 679358379 /nfs/dbraw/zinc/35/83/79/679358379.db2.gz CEZSJCBGDTXWQJ-SFHVURJKSA-N 1 2 348.450 2.408 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ncc(C)cn3)C2)cc1 ZINC001023526092 679358382 /nfs/dbraw/zinc/35/83/82/679358382.db2.gz CEZSJCBGDTXWQJ-SFHVURJKSA-N 1 2 348.450 2.408 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)C=CCC4)C2)C1 ZINC000972586507 679364632 /nfs/dbraw/zinc/36/46/32/679364632.db2.gz YMUWQMDGGPVMEF-OAQYLSRUSA-N 1 2 336.435 2.196 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)C=CCC4)C2)C1 ZINC000972586507 679364635 /nfs/dbraw/zinc/36/46/35/679364635.db2.gz YMUWQMDGGPVMEF-OAQYLSRUSA-N 1 2 336.435 2.196 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccc(C)s3)C2)C1 ZINC000972640245 679481134 /nfs/dbraw/zinc/48/11/34/679481134.db2.gz HRVXSVNEFGQPEF-CRAIPNDOSA-N 1 2 332.469 2.097 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccc(C)s3)C2)C1 ZINC000972640245 679481135 /nfs/dbraw/zinc/48/11/35/679481135.db2.gz HRVXSVNEFGQPEF-CRAIPNDOSA-N 1 2 332.469 2.097 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000972649546 679509896 /nfs/dbraw/zinc/50/98/96/679509896.db2.gz IBZGEPYFUQUYRB-SFHVURJKSA-N 1 2 332.831 2.280 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000972649546 679509898 /nfs/dbraw/zinc/50/98/98/679509898.db2.gz IBZGEPYFUQUYRB-SFHVURJKSA-N 1 2 332.831 2.280 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2CNC(=O)[C@@H]2CCCO2)c1 ZINC001024314165 679871364 /nfs/dbraw/zinc/87/13/64/679871364.db2.gz GTDZWWRSVKOETP-WMZOPIPTSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2CNC(=O)[C@@H]2CCCO2)c1 ZINC001024314165 679871365 /nfs/dbraw/zinc/87/13/65/679871365.db2.gz GTDZWWRSVKOETP-WMZOPIPTSA-N 1 2 345.418 2.347 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ncnc2[nH]ccc21 ZINC001024534729 680057401 /nfs/dbraw/zinc/05/74/01/680057401.db2.gz KMFMOZQPWZYHIK-GFCCVEGCSA-N 1 2 333.823 2.246 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ncnc2[nH]ccc21 ZINC001024534729 680057406 /nfs/dbraw/zinc/05/74/06/680057406.db2.gz KMFMOZQPWZYHIK-GFCCVEGCSA-N 1 2 333.823 2.246 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3cncn3C2)C(C)(C)C1 ZINC000974752028 685401092 /nfs/dbraw/zinc/40/10/92/685401092.db2.gz NMIDUVKWKWTFRK-UKRRQHHQSA-N 1 2 336.867 2.025 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3cncn3C2)C(C)(C)C1 ZINC000974752028 685401094 /nfs/dbraw/zinc/40/10/94/685401094.db2.gz NMIDUVKWKWTFRK-UKRRQHHQSA-N 1 2 336.867 2.025 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1nccs1 ZINC001024660249 681323138 /nfs/dbraw/zinc/32/31/38/681323138.db2.gz LXCUMOLTSRPYFJ-KFWWJZLASA-N 1 2 335.473 2.205 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1nccs1 ZINC001024660249 681323142 /nfs/dbraw/zinc/32/31/42/681323142.db2.gz LXCUMOLTSRPYFJ-KFWWJZLASA-N 1 2 335.473 2.205 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ncc(CC)o1 ZINC001024661052 681324924 /nfs/dbraw/zinc/32/49/24/681324924.db2.gz XPPZICWBFAPGKQ-UAGQMJEPSA-N 1 2 347.459 2.299 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ncc(CC)o1 ZINC001024661052 681324927 /nfs/dbraw/zinc/32/49/27/681324927.db2.gz XPPZICWBFAPGKQ-UAGQMJEPSA-N 1 2 347.459 2.299 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+](C/C(Cl)=C/Cl)C2)c1 ZINC001028469622 681510196 /nfs/dbraw/zinc/51/01/96/681510196.db2.gz BQJNRHOKCKDYJT-WOFOBEMUSA-N 1 2 327.215 2.257 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+](C/C(Cl)=C/Cl)C2)c1 ZINC001028469622 681510197 /nfs/dbraw/zinc/51/01/97/681510197.db2.gz BQJNRHOKCKDYJT-WOFOBEMUSA-N 1 2 327.215 2.257 20 30 EEEDLO Cc1nsc(N[C@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)c1C#N ZINC001059081006 681732104 /nfs/dbraw/zinc/73/21/04/681732104.db2.gz QSBXAEBPTQOBFT-AAEUAGOBSA-N 1 2 344.444 2.184 20 30 EEEDLO N#Cc1cccnc1N[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001059110835 682199364 /nfs/dbraw/zinc/19/93/64/682199364.db2.gz CTSMWUYZROQIOL-AWEZNQCLSA-N 1 2 332.367 2.156 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2nnc3ccccc3c2O)C1 ZINC001028841666 682332598 /nfs/dbraw/zinc/33/25/98/682332598.db2.gz ZDRLXVCWHQYITF-GFCCVEGCSA-N 1 2 346.818 2.140 20 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685095666 /nfs/dbraw/zinc/09/56/66/685095666.db2.gz KWHZPEVQIFEFTC-IUODEOHRSA-N 1 2 336.867 2.409 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ncn(C(C)(C)C)n2)C(C)(C)C1 ZINC000975039053 686061475 /nfs/dbraw/zinc/06/14/75/686061475.db2.gz NFUHEMYDESPDAA-LBPRGKRZSA-N 1 2 339.871 2.226 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ncn(C(C)(C)C)n2)C(C)(C)C1 ZINC000975039053 686061480 /nfs/dbraw/zinc/06/14/80/686061480.db2.gz NFUHEMYDESPDAA-LBPRGKRZSA-N 1 2 339.871 2.226 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3nncs3)C2)cc1 ZINC001029798877 687122729 /nfs/dbraw/zinc/12/27/29/687122729.db2.gz ORWBNYFTTOEMPE-OAHLLOKOSA-N 1 2 340.452 2.114 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3nncs3)C2)cc1 ZINC001029798877 687122730 /nfs/dbraw/zinc/12/27/30/687122730.db2.gz ORWBNYFTTOEMPE-OAHLLOKOSA-N 1 2 340.452 2.114 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3ncnn3CCC)C2)C1 ZINC001029836899 687260006 /nfs/dbraw/zinc/26/00/06/687260006.db2.gz VRYSXILVVNKYOO-INIZCTEOSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H](C[N@H+](C)Cc3ncnn3CCC)C2)C1 ZINC001029836899 687260009 /nfs/dbraw/zinc/26/00/09/687260009.db2.gz VRYSXILVVNKYOO-INIZCTEOSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cocn2)C1 ZINC001027327144 687489449 /nfs/dbraw/zinc/48/94/49/687489449.db2.gz IUPRBOFAODZGAT-NSHDSACASA-N 1 2 328.210 2.120 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)c2cocn2)C1 ZINC001027327144 687489456 /nfs/dbraw/zinc/48/94/56/687489456.db2.gz IUPRBOFAODZGAT-NSHDSACASA-N 1 2 328.210 2.120 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001027331092 687507852 /nfs/dbraw/zinc/50/78/52/687507852.db2.gz ZTWBWYRUMQDMIJ-ZIAGYGMSSA-N 1 2 330.432 2.136 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nc3c(o2)CCCC3)C1 ZINC001027331092 687507857 /nfs/dbraw/zinc/50/78/57/687507857.db2.gz ZTWBWYRUMQDMIJ-ZIAGYGMSSA-N 1 2 330.432 2.136 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ocnc2C)C1 ZINC001027352074 687637811 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C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc3n[nH]nc32)C1 ZINC001027423327 688051170 /nfs/dbraw/zinc/05/11/70/688051170.db2.gz CLYACSYROICGJM-GFCCVEGCSA-N 1 2 333.823 2.247 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]([N@H+](C)Cc2nonc2C)C1 ZINC001027441647 688159919 /nfs/dbraw/zinc/15/99/19/688159919.db2.gz IETZJOMXWNARTF-OAHLLOKOSA-N 1 2 343.431 2.102 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nonc2C)C1 ZINC001027441647 688159922 /nfs/dbraw/zinc/15/99/22/688159922.db2.gz IETZJOMXWNARTF-OAHLLOKOSA-N 1 2 343.431 2.102 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nc(CC)no3)[C@H]2C)CC1 ZINC000986857587 688980311 /nfs/dbraw/zinc/98/03/11/688980311.db2.gz VLYJHWBCWUXILZ-HIFRSBDPSA-N 1 2 332.448 2.457 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001060175958 694249120 /nfs/dbraw/zinc/24/91/20/694249120.db2.gz SRVTVTSERJUCBL-JKSUJKDBSA-N 1 2 346.475 2.299 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001059866984 690480509 /nfs/dbraw/zinc/48/05/09/690480509.db2.gz HMPWQAFFRGRKRW-MRXNPFEDSA-N 1 2 344.459 2.006 20 30 EEEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)c1cocn1 ZINC001027777935 694456141 /nfs/dbraw/zinc/45/61/41/694456141.db2.gz LZAXCCKRHQIBQT-INIZCTEOSA-N 1 2 327.359 2.060 20 30 EEEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)c1cocn1 ZINC001027777935 694456143 /nfs/dbraw/zinc/45/61/43/694456143.db2.gz LZAXCCKRHQIBQT-INIZCTEOSA-N 1 2 327.359 2.060 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001059974244 691672686 /nfs/dbraw/zinc/67/26/86/691672686.db2.gz OHGVFQKADVQXMZ-CQSZACIVSA-N 1 2 346.475 2.254 20 30 EEEDLO Cc1conc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000989427251 691715584 /nfs/dbraw/zinc/71/55/84/691715584.db2.gz GWHOHELDYMKWQC-UHFFFAOYSA-N 1 2 330.413 2.264 20 30 EEEDLO Cc1conc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000989427251 691715588 /nfs/dbraw/zinc/71/55/88/691715588.db2.gz GWHOHELDYMKWQC-UHFFFAOYSA-N 1 2 330.413 2.264 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2nocc2C)CC1(C)C ZINC000977315460 692473665 /nfs/dbraw/zinc/47/36/65/692473665.db2.gz JDUJLBBNFNZMPT-XIRDDKMYSA-N 1 2 347.459 2.291 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@@H+](Cc2nocc2C)CC1(C)C ZINC000977315460 692473668 /nfs/dbraw/zinc/47/36/68/692473668.db2.gz JDUJLBBNFNZMPT-XIRDDKMYSA-N 1 2 347.459 2.291 20 30 EEEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2cnc(-c3ccco3)s2)C(C)(C)C1 ZINC000977484596 692672033 /nfs/dbraw/zinc/67/20/33/692672033.db2.gz IZSZMQGNHXJARX-AWEZNQCLSA-N 1 2 329.425 2.477 20 30 EEEDLO C#CC[N@H+]1C[C@H](NC(=O)c2cnc(-c3ccco3)s2)C(C)(C)C1 ZINC000977484596 692672037 /nfs/dbraw/zinc/67/20/37/692672037.db2.gz IZSZMQGNHXJARX-AWEZNQCLSA-N 1 2 329.425 2.477 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc(C(=O)NC)c2)C(C)(C)C1 ZINC000977615767 692828809 /nfs/dbraw/zinc/82/88/09/692828809.db2.gz MNQJLHUYSKZEPW-HNNXBMFYSA-N 1 2 349.862 2.239 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccc(C(=O)NC)c2)C(C)(C)C1 ZINC000977615767 692828817 /nfs/dbraw/zinc/82/88/17/692828817.db2.gz MNQJLHUYSKZEPW-HNNXBMFYSA-N 1 2 349.862 2.239 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnn(C)c2C2CC2)C(C)(C)C1 ZINC000977661622 692897972 /nfs/dbraw/zinc/89/79/72/692897972.db2.gz VPFASAISQNRHMX-AWEZNQCLSA-N 1 2 336.867 2.490 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnn(C)c2C2CC2)C(C)(C)C1 ZINC000977661622 692897977 /nfs/dbraw/zinc/89/79/77/692897977.db2.gz VPFASAISQNRHMX-AWEZNQCLSA-N 1 2 336.867 2.490 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000905313609 694598596 /nfs/dbraw/zinc/59/85/96/694598596.db2.gz LJKQQAODZZEZME-OALUTQOASA-N 1 2 344.455 2.116 20 30 EEEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)ccn1 ZINC001032063971 1192052824 /nfs/dbraw/zinc/05/28/24/1192052824.db2.gz YKBNOJBEFAUTOA-UHFFFAOYSA-N 1 2 326.425 2.185 20 30 EEEDLO Cc1ccn2cc(C(=O)NCC[N@@H+](C)Cc3ccccc3C#N)nc2c1 ZINC001267205447 1178494092 /nfs/dbraw/zinc/49/40/92/1178494092.db2.gz KGEGKRMIFJSDLH-UHFFFAOYSA-N 1 2 347.422 2.376 20 30 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1195808025 /nfs/dbraw/zinc/80/80/25/1195808025.db2.gz HYRMMDPOQNWGBM-YJBOKZPZSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001034122031 1195808028 /nfs/dbraw/zinc/80/80/28/1195808028.db2.gz HYRMMDPOQNWGBM-YJBOKZPZSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001014767105 1224314386 /nfs/dbraw/zinc/31/43/86/1224314386.db2.gz MCWRPHSRXVBSCJ-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001014767105 1224314389 /nfs/dbraw/zinc/31/43/89/1224314389.db2.gz MCWRPHSRXVBSCJ-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ncc(CC)o2)C1 ZINC001034400978 1196192311 /nfs/dbraw/zinc/19/23/11/1196192311.db2.gz CJYLESOHHMLDLD-UAGQMJEPSA-N 1 2 347.459 2.299 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ncc(CC)o2)C1 ZINC001034400978 1196192314 /nfs/dbraw/zinc/19/23/14/1196192314.db2.gz 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CSc1nccc(C[N@@H+]2CCC[C@]23CCN(CCCC#N)C3=O)n1 ZINC001273281065 1197948154 /nfs/dbraw/zinc/94/81/54/1197948154.db2.gz ACXTUXJFCBTGGM-QGZVFWFLSA-N 1 2 345.472 2.069 20 30 EEEDLO CSc1nccc(C[N@H+]2CCC[C@]23CCN(CCCC#N)C3=O)n1 ZINC001273281065 1197948160 /nfs/dbraw/zinc/94/81/60/1197948160.db2.gz ACXTUXJFCBTGGM-QGZVFWFLSA-N 1 2 345.472 2.069 20 30 EEEDLO C=CCc1cccc(C[NH+]2CC3(C2)CN([C@H](C)CC)C(=O)CO3)c1O ZINC001273359962 1198312106 /nfs/dbraw/zinc/31/21/06/1198312106.db2.gz CPQGEIRKHOROQM-OAHLLOKOSA-N 1 2 344.455 2.332 20 30 EEEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc2ccccc2n1CC#N ZINC000874703859 1198953594 /nfs/dbraw/zinc/95/35/94/1198953594.db2.gz ZHDWOJCPERNFST-MRXNPFEDSA-N 1 2 340.427 2.005 20 30 EEEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cc2ccccc2n1CC#N ZINC000874703859 1198953601 /nfs/dbraw/zinc/95/36/01/1198953601.db2.gz ZHDWOJCPERNFST-MRXNPFEDSA-N 1 2 340.427 2.005 20 30 EEEDLO C=CCN1C(=O)COCC12C[NH+](CCCc1ccccc1Cl)C2 ZINC001273439630 1199007606 /nfs/dbraw/zinc/00/76/06/1199007606.db2.gz MZTNJGUGZZSQLK-UHFFFAOYSA-N 1 2 334.847 2.372 20 30 EEEDLO COc1nccc(C[N@@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)n1 ZINC001132034073 1199218206 /nfs/dbraw/zinc/21/82/06/1199218206.db2.gz NPZRNRDPZWCSHV-LSDHHAIUSA-N 1 2 344.459 2.004 20 30 EEEDLO COc1nccc(C[N@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)n1 ZINC001132034073 1199218209 /nfs/dbraw/zinc/21/82/09/1199218209.db2.gz NPZRNRDPZWCSHV-LSDHHAIUSA-N 1 2 344.459 2.004 20 30 EEEDLO CCn1nnc(C)c1C[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132034857 1199219794 /nfs/dbraw/zinc/21/97/94/1199219794.db2.gz VTOVSHXMVYSOIW-ZBFHGGJFSA-N 1 2 345.491 2.125 20 30 EEEDLO CCn1nnc(C)c1C[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132034857 1199219799 /nfs/dbraw/zinc/21/97/99/1199219799.db2.gz VTOVSHXMVYSOIW-ZBFHGGJFSA-N 1 2 345.491 2.125 20 30 EEEDLO COc1cncc(C[N@@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)n1 ZINC001132038551 1199223124 /nfs/dbraw/zinc/22/31/24/1199223124.db2.gz SYHGZDVWQJZGFH-HUUCEWRRSA-N 1 2 344.459 2.004 20 30 EEEDLO COc1cncc(C[N@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)n1 ZINC001132038551 1199223128 /nfs/dbraw/zinc/22/31/28/1199223128.db2.gz SYHGZDVWQJZGFH-HUUCEWRRSA-N 1 2 344.459 2.004 20 30 EEEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2scnc2C(C)C)CC[C@@H]1C ZINC001132343479 1199606148 /nfs/dbraw/zinc/60/61/48/1199606148.db2.gz IDLMBMZLRCSOLG-GJZGRUSLSA-N 1 2 349.500 2.499 20 30 EEEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2scnc2C(C)C)CC[C@@H]1C ZINC001132343479 1199606152 /nfs/dbraw/zinc/60/61/52/1199606152.db2.gz IDLMBMZLRCSOLG-GJZGRUSLSA-N 1 2 349.500 2.499 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2ccccc2Cl)CC[C@@H]1C ZINC001132434199 1199703569 /nfs/dbraw/zinc/70/35/69/1199703569.db2.gz UZZWQWFWSKPVPT-KBPBESRZSA-N 1 2 349.862 2.225 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2Cl)CC[C@@H]1C ZINC001132434199 1199703571 /nfs/dbraw/zinc/70/35/71/1199703571.db2.gz UZZWQWFWSKPVPT-KBPBESRZSA-N 1 2 349.862 2.225 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ncc(F)cc3F)C2)s1 ZINC001014951279 1224572721 /nfs/dbraw/zinc/57/27/21/1224572721.db2.gz NYILTDIFCBJJEK-NSHDSACASA-N 1 2 348.378 2.297 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ncc(F)cc3F)C2)s1 ZINC001014951279 1224572726 /nfs/dbraw/zinc/57/27/26/1224572726.db2.gz NYILTDIFCBJJEK-NSHDSACASA-N 1 2 348.378 2.297 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ncc(F)cc2F)C1 ZINC001014951340 1224572878 /nfs/dbraw/zinc/57/28/78/1224572878.db2.gz OMKAGMWHPHRSQZ-OAHLLOKOSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ncc(F)cc2F)C1 ZINC001014951340 1224572882 /nfs/dbraw/zinc/57/28/82/1224572882.db2.gz OMKAGMWHPHRSQZ-OAHLLOKOSA-N 1 2 342.349 2.236 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)n2)CCCO1 ZINC000877578311 1199971122 /nfs/dbraw/zinc/97/11/22/1199971122.db2.gz BQGWUYZNTIURCL-MRXNPFEDSA-N 1 2 346.431 2.069 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)CCCO1 ZINC000877578311 1199971125 /nfs/dbraw/zinc/97/11/25/1199971125.db2.gz BQGWUYZNTIURCL-MRXNPFEDSA-N 1 2 346.431 2.069 20 30 EEEDLO C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1CNCC#N ZINC001133012096 1200332722 /nfs/dbraw/zinc/33/27/22/1200332722.db2.gz PHRXYKATJFAPSR-NVXWUHKLSA-N 1 2 337.427 2.084 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(F)cn2)C1 ZINC001014975063 1224605457 /nfs/dbraw/zinc/60/54/57/1224605457.db2.gz CZNARFAWWPMCOT-GOSISDBHSA-N 1 2 338.386 2.026 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(F)cn2)C1 ZINC001014975063 1224605459 /nfs/dbraw/zinc/60/54/59/1224605459.db2.gz CZNARFAWWPMCOT-GOSISDBHSA-N 1 2 338.386 2.026 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1)c1ccccc1 ZINC000878544856 1200532184 /nfs/dbraw/zinc/53/21/84/1200532184.db2.gz NMPLQSCBGHZSKG-FFZOFVMBSA-N 1 2 342.439 2.307 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1)c1ccccc1 ZINC000878544856 1200532187 /nfs/dbraw/zinc/53/21/87/1200532187.db2.gz NMPLQSCBGHZSKG-FFZOFVMBSA-N 1 2 342.439 2.307 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1)c1ccccc1 ZINC000878544858 1200532550 /nfs/dbraw/zinc/53/25/50/1200532550.db2.gz NMPLQSCBGHZSKG-NSISKUIASA-N 1 2 342.439 2.307 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1)c1ccccc1 ZINC000878544858 1200532560 /nfs/dbraw/zinc/53/25/60/1200532560.db2.gz NMPLQSCBGHZSKG-NSISKUIASA-N 1 2 342.439 2.307 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC001202619089 1202191749 /nfs/dbraw/zinc/19/17/49/1202191749.db2.gz ZOMAYDGMKCGWMN-QWRGUYRKSA-N 1 2 338.345 2.106 20 30 EEEDLO N#C[C@@]1(F)CCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000890253208 1202463323 /nfs/dbraw/zinc/46/33/23/1202463323.db2.gz YFGLXOPJILXKEE-RDJZCZTQSA-N 1 2 327.363 2.272 20 30 EEEDLO Cc1ccc(CN(C(=O)CO[NH+]=C(N)Cc2cccnc2)C2CC2)o1 ZINC000137655861 1202492419 /nfs/dbraw/zinc/49/24/19/1202492419.db2.gz UFSLFZQYIJTESX-UHFFFAOYSA-N 1 2 342.399 2.006 20 30 EEEDLO Cc1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc[nH]2)cc1C#N ZINC001274092856 1204367598 /nfs/dbraw/zinc/36/75/98/1204367598.db2.gz QITIUNUUOUFGTM-HDICACEKSA-N 1 2 335.411 2.079 20 30 EEEDLO Cc1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc[nH]2)cc1C#N ZINC001274092856 1204367600 /nfs/dbraw/zinc/36/76/00/1204367600.db2.gz QITIUNUUOUFGTM-HDICACEKSA-N 1 2 335.411 2.079 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cnc3cccc(Cl)n23)C1=O ZINC001274153219 1204409887 /nfs/dbraw/zinc/40/98/87/1204409887.db2.gz KMBBFJAQVPGCRR-SFHVURJKSA-N 1 2 342.830 2.188 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cnc3cccc(Cl)n23)C1=O ZINC001274153219 1204409890 /nfs/dbraw/zinc/40/98/90/1204409890.db2.gz KMBBFJAQVPGCRR-SFHVURJKSA-N 1 2 342.830 2.188 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)nc1 ZINC000826605498 1204569202 /nfs/dbraw/zinc/56/92/02/1204569202.db2.gz RBDBGVGOSWRVQZ-IBGZPJMESA-N 1 2 349.434 2.002 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)nc1 ZINC000826605498 1204569204 /nfs/dbraw/zinc/56/92/04/1204569204.db2.gz RBDBGVGOSWRVQZ-IBGZPJMESA-N 1 2 349.434 2.002 20 30 EEEDLO CCc1cc(C[NH+]2CC3(C2)COCC(=O)N3CC(C)C)ccc1C#N ZINC001274602755 1205093728 /nfs/dbraw/zinc/09/37/28/1205093728.db2.gz SODNVUCBZPAQDC-UHFFFAOYSA-N 1 2 341.455 2.190 20 30 EEEDLO CCCC#CC(=O)N1CC[C@@H]2C[C@@]21C(=O)Nc1cccc2[nH+]ccn21 ZINC001274684337 1205130323 /nfs/dbraw/zinc/13/03/23/1205130323.db2.gz IPBLFLCEUIQCKC-KUHUBIRLSA-N 1 2 336.395 2.067 20 30 EEEDLO C#CCN1C[C@@]2(F)C[N@@H+](Cc3ccc(C(C)C)cc3O)C[C@@]2(F)C1=O ZINC001274769577 1205157488 /nfs/dbraw/zinc/15/74/88/1205157488.db2.gz GMHCNLSOESDOPI-RBUKOAKNSA-N 1 2 348.393 2.223 20 30 EEEDLO C#CCN1C[C@@]2(F)C[N@H+](Cc3ccc(C(C)C)cc3O)C[C@@]2(F)C1=O ZINC001274769577 1205157490 /nfs/dbraw/zinc/15/74/90/1205157490.db2.gz GMHCNLSOESDOPI-RBUKOAKNSA-N 1 2 348.393 2.223 20 30 EEEDLO Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cncc(C#N)c1 ZINC001275026998 1205235978 /nfs/dbraw/zinc/23/59/78/1205235978.db2.gz DDWFEAZMKFGNNQ-IYBDPMFKSA-N 1 2 325.441 2.177 20 30 EEEDLO Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cncc(C#N)c1 ZINC001275026998 1205235980 /nfs/dbraw/zinc/23/59/80/1205235980.db2.gz DDWFEAZMKFGNNQ-IYBDPMFKSA-N 1 2 325.441 2.177 20 30 EEEDLO C=CCn1cc(C[NH+]2CC3(CN(C(=O)[C@@H]4C=CCC=C4C)C3)C2)cn1 ZINC001275381041 1205330644 /nfs/dbraw/zinc/33/06/44/1205330644.db2.gz DXFWPSQRUPMAFY-GOSISDBHSA-N 1 2 338.455 2.236 20 30 EEEDLO N#Cc1cc(F)cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)c1 ZINC001275414767 1205348314 /nfs/dbraw/zinc/34/83/14/1205348314.db2.gz ZJLMVDZPAXSYFI-MOPGFXCFSA-N 1 2 340.402 2.111 20 30 EEEDLO N#Cc1cc(F)cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)c1 ZINC001275414767 1205348316 /nfs/dbraw/zinc/34/83/16/1205348316.db2.gz ZJLMVDZPAXSYFI-MOPGFXCFSA-N 1 2 340.402 2.111 20 30 EEEDLO Cn1cc(CN2C[C@@H]3CC[N@H+](Cc4ccncc4F)[C@@H]3C2)cc1C#N ZINC001276298235 1205873403 /nfs/dbraw/zinc/87/34/03/1205873403.db2.gz YUHZPKKMVORHIU-QFBILLFUSA-N 1 2 339.418 2.137 20 30 EEEDLO Cn1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccncc4F)[C@@H]3C2)cc1C#N ZINC001276298235 1205873405 /nfs/dbraw/zinc/87/34/05/1205873405.db2.gz 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2.408 20 30 EEEDLO CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000968858695 1221627941 /nfs/dbraw/zinc/62/79/41/1221627941.db2.gz IUJADRJIIYBLRU-HOTGVXAUSA-N 1 2 328.460 2.214 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)C1(F)CCOCC1 ZINC001007475862 1222249166 /nfs/dbraw/zinc/24/91/66/1222249166.db2.gz BPHCRQPTPSBJMU-SFHVURJKSA-N 1 2 344.430 2.137 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)C1(F)CCOCC1 ZINC001007475862 1222249170 /nfs/dbraw/zinc/24/91/70/1222249170.db2.gz BPHCRQPTPSBJMU-SFHVURJKSA-N 1 2 344.430 2.137 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001007529773 1222278945 /nfs/dbraw/zinc/27/89/45/1222278945.db2.gz NPJGXCHNJWQGPE-MNEFBYGVSA-N 1 2 341.455 2.454 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001007529773 1222278950 /nfs/dbraw/zinc/27/89/50/1222278950.db2.gz NPJGXCHNJWQGPE-MNEFBYGVSA-N 1 2 341.455 2.454 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001008317860 1222758367 /nfs/dbraw/zinc/75/83/67/1222758367.db2.gz VEBRIJFPFBGHBY-KBPBESRZSA-N 1 2 336.867 2.173 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001008317860 1222758372 /nfs/dbraw/zinc/75/83/72/1222758372.db2.gz VEBRIJFPFBGHBY-KBPBESRZSA-N 1 2 336.867 2.173 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001008577216 1222939526 /nfs/dbraw/zinc/93/95/26/1222939526.db2.gz RFYPLJWKXDRJCJ-SKDZVZGDSA-N 1 2 345.418 2.203 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001008577216 1222939528 /nfs/dbraw/zinc/93/95/28/1222939528.db2.gz RFYPLJWKXDRJCJ-SKDZVZGDSA-N 1 2 345.418 2.203 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)noc2C(F)(F)F)C1 ZINC001008695382 1222998629 /nfs/dbraw/zinc/99/86/29/1222998629.db2.gz LCEZGMVEVMYUDO-LLVKDONJSA-N 1 2 329.322 2.219 20 30 EEEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)noc2C(F)(F)F)C1 ZINC001008695382 1222998634 /nfs/dbraw/zinc/99/86/34/1222998634.db2.gz LCEZGMVEVMYUDO-LLVKDONJSA-N 1 2 329.322 2.219 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)n1C ZINC001010166480 1223584142 /nfs/dbraw/zinc/58/41/42/1223584142.db2.gz KEEUVPFXIRKZSI-SFHVURJKSA-N 1 2 339.414 2.328 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)n1C ZINC001010166480 1223584145 /nfs/dbraw/zinc/58/41/45/1223584145.db2.gz KEEUVPFXIRKZSI-SFHVURJKSA-N 1 2 339.414 2.328 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)c3ccccc3O)C2)ccc1F ZINC001010273311 1223637239 /nfs/dbraw/zinc/63/72/39/1223637239.db2.gz UJLSWIBBWKYLJG-OAHLLOKOSA-N 1 2 339.370 2.407 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3ccccc3O)C2)ccc1F ZINC001010273311 1223637240 /nfs/dbraw/zinc/63/72/40/1223637240.db2.gz UJLSWIBBWKYLJG-OAHLLOKOSA-N 1 2 339.370 2.407 20 30 EEEDLO CCc1onc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016227551 1226229241 /nfs/dbraw/zinc/22/92/41/1226229241.db2.gz BHCLJKBNBWWBKX-INIZCTEOSA-N 1 2 338.411 2.421 20 30 EEEDLO CCc1onc(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016227551 1226229250 /nfs/dbraw/zinc/22/92/50/1226229250.db2.gz BHCLJKBNBWWBKX-INIZCTEOSA-N 1 2 338.411 2.421 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3CCCOC3)C2)c1 ZINC001016275953 1226288251 /nfs/dbraw/zinc/28/82/51/1226288251.db2.gz IEJPYJIAUKYEPH-NVXWUHKLSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)C[C@H]3CCCOC3)C2)c1 ZINC001016275953 1226288253 /nfs/dbraw/zinc/28/82/53/1226288253.db2.gz IEJPYJIAUKYEPH-NVXWUHKLSA-N 1 2 345.418 2.205 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(N(C)C)c(F)c2)C1 ZINC001016343498 1226370139 /nfs/dbraw/zinc/37/01/39/1226370139.db2.gz JNQXHXQGEUARNS-CYBMUJFWSA-N 1 2 325.815 2.448 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(N(C)C)c(F)c2)C1 ZINC001016343498 1226370143 /nfs/dbraw/zinc/37/01/43/1226370143.db2.gz JNQXHXQGEUARNS-CYBMUJFWSA-N 1 2 325.815 2.448 20 30 EEEDLO N#Cc1ccccc1CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC001017511322 1227480292 /nfs/dbraw/zinc/48/02/92/1227480292.db2.gz GOJANKCJFMHSKP-HDICACEKSA-N 1 2 349.438 2.089 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001017627920 1227584124 /nfs/dbraw/zinc/58/41/24/1227584124.db2.gz BZNAIIQTXDMVEV-WCIQWLHISA-N 1 2 338.451 2.463 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001017627920 1227584131 /nfs/dbraw/zinc/58/41/31/1227584131.db2.gz BZNAIIQTXDMVEV-WCIQWLHISA-N 1 2 338.451 2.463 20 30 EEEDLO N#Cc1cccc(C[NH2+][C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)c1 ZINC001018878396 1228481505 /nfs/dbraw/zinc/48/15/05/1228481505.db2.gz MTPJSHGAPMOFRR-STQMWFEESA-N 1 2 329.297 2.149 20 30 EEEDLO N#Cc1cccc(C[NH2+][C@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)c1 ZINC001018878396 1228481510 /nfs/dbraw/zinc/48/15/10/1228481510.db2.gz MTPJSHGAPMOFRR-STQMWFEESA-N 1 2 329.297 2.149 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC001018952881 1228570653 /nfs/dbraw/zinc/57/06/53/1228570653.db2.gz OKFKJOALZZHPLS-LBPRGKRZSA-N 1 2 331.807 2.028 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@]23C[C@H]2CCC3)cc1C#N ZINC001038527289 1229897218 /nfs/dbraw/zinc/89/72/18/1229897218.db2.gz JHCRNPITVFPYLQ-MBOZVWFJSA-N 1 2 339.439 2.448 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@]23C[C@H]2CCC3)cc1C#N ZINC001038527289 1229897226 /nfs/dbraw/zinc/89/72/26/1229897226.db2.gz JHCRNPITVFPYLQ-MBOZVWFJSA-N 1 2 339.439 2.448 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C)c(F)c1 ZINC001038714976 1229992733 /nfs/dbraw/zinc/99/27/33/1229992733.db2.gz ZIWOCMGMUZKRGC-NUJGCVRESA-N 1 2 332.419 2.416 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C)c(F)c1 ZINC001038714976 1229992736 /nfs/dbraw/zinc/99/27/36/1229992736.db2.gz ZIWOCMGMUZKRGC-NUJGCVRESA-N 1 2 332.419 2.416 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1C[C@H]1c1cccnc1 ZINC001038724445 1229997858 /nfs/dbraw/zinc/99/78/58/1229997858.db2.gz AVDYJPZNUOWKAY-QHAWAJNXSA-N 1 2 345.446 2.427 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1C[C@H]1c1cccnc1 ZINC001038724445 1229997861 /nfs/dbraw/zinc/99/78/61/1229997861.db2.gz AVDYJPZNUOWKAY-QHAWAJNXSA-N 1 2 345.446 2.427 20 30 EEEDLO COc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)o1 ZINC001038838672 1230100587 /nfs/dbraw/zinc/10/05/87/1230100587.db2.gz YCQWEBJKYLSKOZ-HNNXBMFYSA-N 1 2 325.368 2.164 20 30 EEEDLO COc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)o1 ZINC001038838672 1230100592 /nfs/dbraw/zinc/10/05/92/1230100592.db2.gz YCQWEBJKYLSKOZ-HNNXBMFYSA-N 1 2 325.368 2.164 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ncoc2C2CC2)c1 ZINC001038882079 1230131896 /nfs/dbraw/zinc/13/18/96/1230131896.db2.gz MZAQRCDUSQYTHB-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ncoc2C2CC2)c1 ZINC001038882079 1230131898 /nfs/dbraw/zinc/13/18/98/1230131898.db2.gz MZAQRCDUSQYTHB-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)c1cc2c([nH]1)CCC2 ZINC001038904416 1230150856 /nfs/dbraw/zinc/15/08/56/1230150856.db2.gz HDZVWGVQPWHNQL-GOSISDBHSA-N 1 2 333.435 2.359 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)c1cc2c([nH]1)CCC2 ZINC001038904416 1230150857 /nfs/dbraw/zinc/15/08/57/1230150857.db2.gz HDZVWGVQPWHNQL-GOSISDBHSA-N 1 2 333.435 2.359 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039130919 1230339503 /nfs/dbraw/zinc/33/95/03/1230339503.db2.gz AMJKAEZFQHACGJ-KBPBESRZSA-N 1 2 334.357 2.471 20 30 EEEDLO CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039130919 1230339506 /nfs/dbraw/zinc/33/95/06/1230339506.db2.gz AMJKAEZFQHACGJ-KBPBESRZSA-N 1 2 334.357 2.471 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC001039130919 1230339509 /nfs/dbraw/zinc/33/95/09/1230339509.db2.gz AMJKAEZFQHACGJ-KBPBESRZSA-N 1 2 334.357 2.471 20 30 EEEDLO CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC001039130919 1230339513 /nfs/dbraw/zinc/33/95/13/1230339513.db2.gz AMJKAEZFQHACGJ-KBPBESRZSA-N 1 2 334.357 2.471 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2n[nH]nc21 ZINC001039379804 1230565230 /nfs/dbraw/zinc/56/52/30/1230565230.db2.gz JESVKMBEQGLQKO-OLZOCXBDSA-N 1 2 345.834 2.389 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2n[nH]nc21 ZINC001039379804 1230565235 /nfs/dbraw/zinc/56/52/35/1230565235.db2.gz JESVKMBEQGLQKO-OLZOCXBDSA-N 1 2 345.834 2.389 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](CC)C(N)=O ZINC001039609076 1230711896 /nfs/dbraw/zinc/71/18/96/1230711896.db2.gz KWMLEKBGDLZULI-MJBXVCDLSA-N 1 2 341.883 2.094 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](CC)C(N)=O ZINC001039609076 1230711898 /nfs/dbraw/zinc/71/18/98/1230711898.db2.gz KWMLEKBGDLZULI-MJBXVCDLSA-N 1 2 341.883 2.094 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](CNc3cc[nH+]c(C)n3)C2)nc1 ZINC001039875153 1230877141 /nfs/dbraw/zinc/87/71/41/1230877141.db2.gz KVNKIONTFKOEST-RHSMWYFYSA-N 1 2 349.438 2.372 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cnon1)C2 ZINC001040331372 1231173945 /nfs/dbraw/zinc/17/39/45/1231173945.db2.gz IPMKNVGSUGSZLD-GOSISDBHSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cnon1)C2 ZINC001040331372 1231173947 /nfs/dbraw/zinc/17/39/47/1231173947.db2.gz IPMKNVGSUGSZLD-GOSISDBHSA-N 1 2 332.448 2.486 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H](CNc3cc[nH+]c(C)n3)[C@@H](C)C2)cn1 ZINC001040424571 1231224540 /nfs/dbraw/zinc/22/45/40/1231224540.db2.gz PQROOSDDUIEYCC-HOCLYGCPSA-N 1 2 349.438 2.372 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(CC[N@H+](Cc3nnc(C)o3)C2)C1 ZINC001041537543 1231586685 /nfs/dbraw/zinc/58/66/85/1231586685.db2.gz YRRBFAIEYZLVCU-SFHVURJKSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(CC[N@@H+](Cc3nnc(C)o3)C2)C1 ZINC001041537543 1231586687 /nfs/dbraw/zinc/58/66/87/1231586687.db2.gz YRRBFAIEYZLVCU-SFHVURJKSA-N 1 2 332.448 2.405 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)n1 ZINC001042057052 1231858873 /nfs/dbraw/zinc/85/88/73/1231858873.db2.gz FLWAYVUGBMYSMS-MJGOQNOKSA-N 1 2 340.471 2.300 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)n1 ZINC001042057052 1231858875 /nfs/dbraw/zinc/85/88/75/1231858875.db2.gz FLWAYVUGBMYSMS-MJGOQNOKSA-N 1 2 340.471 2.300 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nonc4C)[C@H]3C2)C1 ZINC001042224136 1231966397 /nfs/dbraw/zinc/96/63/97/1231966397.db2.gz JADRWWADALWILY-ZBFHGGJFSA-N 1 2 330.432 2.157 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4nonc4C)[C@H]3C2)C1 ZINC001042224136 1231966399 /nfs/dbraw/zinc/96/63/99/1231966399.db2.gz JADRWWADALWILY-ZBFHGGJFSA-N 1 2 330.432 2.157 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(COC)on3)C[C@H]21 ZINC001042260451 1231988224 /nfs/dbraw/zinc/98/82/24/1231988224.db2.gz LCBROJFKJRCPFP-IUODEOHRSA-N 1 2 339.823 2.110 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(COC)on3)C[C@H]21 ZINC001042260451 1231988227 /nfs/dbraw/zinc/98/82/27/1231988227.db2.gz LCBROJFKJRCPFP-IUODEOHRSA-N 1 2 339.823 2.110 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001045051790 1233468216 /nfs/dbraw/zinc/46/82/16/1233468216.db2.gz DMIZCIKTSMSRMW-LBPRGKRZSA-N 1 2 326.828 2.237 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000800365469 1234076787 /nfs/dbraw/zinc/07/67/87/1234076787.db2.gz YLGQYUHKPDCYFU-HZSPNIEDSA-N 1 2 326.437 2.339 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000800365469 1234076790 /nfs/dbraw/zinc/07/67/90/1234076790.db2.gz YLGQYUHKPDCYFU-HZSPNIEDSA-N 1 2 326.437 2.339 20 30 EEEDLO Cc1cnc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3C#N)C2)cn1 ZINC001046118011 1234460920 /nfs/dbraw/zinc/46/09/20/1234460920.db2.gz VEARHHKXXGOTEL-LJQANCHMSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1cnc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3C#N)C2)cn1 ZINC001046118011 1234460922 /nfs/dbraw/zinc/46/09/22/1234460922.db2.gz VEARHHKXXGOTEL-LJQANCHMSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1nnsc1C(=O)N[C@@]1(C)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046129816 1234474539 /nfs/dbraw/zinc/47/45/39/1234474539.db2.gz ALMIKCZELINDOT-SFHVURJKSA-N 1 2 340.452 2.092 20 30 EEEDLO Cc1nnsc1C(=O)N[C@@]1(C)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046129816 1234474540 /nfs/dbraw/zinc/47/45/40/1234474540.db2.gz ALMIKCZELINDOT-SFHVURJKSA-N 1 2 340.452 2.092 20 30 EEEDLO C[C@@]1(NC(=O)c2cocn2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046194930 1234540482 /nfs/dbraw/zinc/54/04/82/1234540482.db2.gz QTLPUVSFZRWFQK-QGZVFWFLSA-N 1 2 328.347 2.080 20 30 EEEDLO C[C@@]1(NC(=O)c2cocn2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046194930 1234540485 /nfs/dbraw/zinc/54/04/85/1234540485.db2.gz QTLPUVSFZRWFQK-QGZVFWFLSA-N 1 2 328.347 2.080 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ncc(OC)cc2F)C1 ZINC001046368101 1234716463 /nfs/dbraw/zinc/71/64/63/1234716463.db2.gz UJDOIXFYRLTRID-OAHLLOKOSA-N 1 2 327.787 2.176 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ncc(OC)cc2F)C1 ZINC001046368101 1234716467 /nfs/dbraw/zinc/71/64/67/1234716467.db2.gz UJDOIXFYRLTRID-OAHLLOKOSA-N 1 2 327.787 2.176 20 30 EEEDLO C#CCCCCCC(=O)N(C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001067667435 1249387830 /nfs/dbraw/zinc/38/78/30/1249387830.db2.gz VQOICNVNCOPNEC-UHFFFAOYSA-N 1 2 346.475 2.233 20 30 EEEDLO C#CCCCCCC(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001067667435 1249387833 /nfs/dbraw/zinc/38/78/33/1249387833.db2.gz VQOICNVNCOPNEC-UHFFFAOYSA-N 1 2 346.475 2.233 20 30 EEEDLO C[C@@]1(NC(=O)c2cnco2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046523650 1234903642 /nfs/dbraw/zinc/90/36/42/1234903642.db2.gz WRVZJHMTPRNXHY-QGZVFWFLSA-N 1 2 328.347 2.080 20 30 EEEDLO C[C@@]1(NC(=O)c2cnco2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046523650 1234903645 /nfs/dbraw/zinc/90/36/45/1234903645.db2.gz WRVZJHMTPRNXHY-QGZVFWFLSA-N 1 2 328.347 2.080 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H](C)c3nc(C)no3)C2)cc1 ZINC001046533061 1234914777 /nfs/dbraw/zinc/91/47/77/1234914777.db2.gz FFIVQQJATOYLPY-DJJJIMSYSA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)c3nc(C)no3)C2)cc1 ZINC001046533061 1234914779 /nfs/dbraw/zinc/91/47/79/1234914779.db2.gz FFIVQQJATOYLPY-DJJJIMSYSA-N 1 2 338.411 2.315 20 30 EEEDLO Cc1nc(N2CCC(N(C)C(=O)C#CC(C)C)CC2)c(C)c(C)[nH+]1 ZINC001096109781 1234940940 /nfs/dbraw/zinc/94/09/40/1234940940.db2.gz WOOPEWBGTZMNIK-UHFFFAOYSA-N 1 2 328.460 2.488 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnn3c2C[C@H](C)CC3)C1 ZINC001046807999 1235206346 /nfs/dbraw/zinc/20/63/46/1235206346.db2.gz PASARSCNSXWCON-SJKOYZFVSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnn3c2C[C@H](C)CC3)C1 ZINC001046807999 1235206349 /nfs/dbraw/zinc/20/63/49/1235206349.db2.gz PASARSCNSXWCON-SJKOYZFVSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001046849530 1235246667 /nfs/dbraw/zinc/24/66/67/1235246667.db2.gz VBYFWXLHAGHXIE-QGZVFWFLSA-N 1 2 347.850 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001046849530 1235246668 /nfs/dbraw/zinc/24/66/68/1235246668.db2.gz VBYFWXLHAGHXIE-QGZVFWFLSA-N 1 2 347.850 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2[nH]c(C)nc2C)C1 ZINC001046974378 1235377137 /nfs/dbraw/zinc/37/71/37/1235377137.db2.gz LJLKUHMCMKGOML-GFCCVEGCSA-N 1 2 346.809 2.466 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2[nH]c(C)nc2C)C1 ZINC001046974378 1235377142 /nfs/dbraw/zinc/37/71/42/1235377142.db2.gz LJLKUHMCMKGOML-GFCCVEGCSA-N 1 2 346.809 2.466 20 30 EEEDLO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cccc3nc[nH]c32)C1 ZINC001046985386 1235393149 /nfs/dbraw/zinc/39/31/49/1235393149.db2.gz IRNQRTKVCMHCQJ-CYBMUJFWSA-N 1 2 346.381 2.273 20 30 EEEDLO C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cccc3nc[nH]c32)C1 ZINC001046985386 1235393152 /nfs/dbraw/zinc/39/31/52/1235393152.db2.gz IRNQRTKVCMHCQJ-CYBMUJFWSA-N 1 2 346.381 2.273 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2noc(CC)n2)C3)C1 ZINC001047143747 1235577561 /nfs/dbraw/zinc/57/75/61/1235577561.db2.gz QWLMRUSJVRNWCQ-ZNMIVQPWSA-N 1 2 344.459 2.457 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2noc(CC)n2)C3)C1 ZINC001047143747 1235577566 /nfs/dbraw/zinc/57/75/66/1235577566.db2.gz QWLMRUSJVRNWCQ-ZNMIVQPWSA-N 1 2 344.459 2.457 20 30 EEEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cccc(OCC(=O)N(C)C)c1 ZINC000901465132 1235838684 /nfs/dbraw/zinc/83/86/84/1235838684.db2.gz RBAVXBPEVGZCFB-HJWRWDBZSA-N 1 2 327.384 2.266 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001047632844 1236318166 /nfs/dbraw/zinc/31/81/66/1236318166.db2.gz SWGLQDLNEDYIOO-ZNMIVQPWSA-N 1 2 344.459 2.050 20 30 EEEDLO C#CCCCCCC(=O)NCC[NH+]1CCN(c2cccc(F)n2)CC1 ZINC001096293251 1237191154 /nfs/dbraw/zinc/19/11/54/1237191154.db2.gz CDMUVSIKYPIJQN-UHFFFAOYSA-N 1 2 346.450 2.043 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1Cc3cccnc3C1)C2 ZINC001096431784 1239032010 /nfs/dbraw/zinc/03/20/10/1239032010.db2.gz LGXYETAMNGNLGK-FSDCSDTHSA-N 1 2 331.847 2.270 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1Cc3cccnc3C1)C2 ZINC001096431784 1239032018 /nfs/dbraw/zinc/03/20/18/1239032018.db2.gz LGXYETAMNGNLGK-FSDCSDTHSA-N 1 2 331.847 2.270 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001056677080 1239627016 /nfs/dbraw/zinc/62/70/16/1239627016.db2.gz SRGQNODHVZIAAY-DLBZAZTESA-N 1 2 344.459 2.079 20 30 EEEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)c3ccccc3o1)C2 ZINC001096469377 1239938825 /nfs/dbraw/zinc/93/88/25/1239938825.db2.gz KJBIMVVYMVLTMV-KBMXLJTQSA-N 1 2 336.391 2.151 20 30 EEEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)c3ccccc3o1)C2 ZINC001096469377 1239938833 /nfs/dbraw/zinc/93/88/33/1239938833.db2.gz KJBIMVVYMVLTMV-KBMXLJTQSA-N 1 2 336.391 2.151 20 30 EEEDLO C#CC[NH+]1CCC(C2(NC(=O)[C@H]3c4cn[nH]c4CC[C@@H]3C)CC2)CC1 ZINC001000227340 1240082399 /nfs/dbraw/zinc/08/23/99/1240082399.db2.gz ZUKVVVGKSRHJDC-KBXCAEBGSA-N 1 2 340.471 2.070 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C#CC2CC2)n1 ZINC001049456893 1240972228 /nfs/dbraw/zinc/97/22/28/1240972228.db2.gz PPBIWWXLRBEIMD-OALUTQOASA-N 1 2 340.471 2.443 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C#CC2CC2)n1 ZINC001049456893 1240972231 /nfs/dbraw/zinc/97/22/31/1240972231.db2.gz PPBIWWXLRBEIMD-OALUTQOASA-N 1 2 340.471 2.443 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCCn3nccc32)CC1 ZINC001000854416 1241056928 /nfs/dbraw/zinc/05/69/28/1241056928.db2.gz JDSRGRCQUDTLBR-OAHLLOKOSA-N 1 2 334.851 2.261 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCn3nccc32)CC1 ZINC001000854416 1241056935 /nfs/dbraw/zinc/05/69/35/1241056935.db2.gz JDSRGRCQUDTLBR-OAHLLOKOSA-N 1 2 334.851 2.261 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2cnn(CC)n2)C1 ZINC001049713024 1241960996 /nfs/dbraw/zinc/96/09/96/1241960996.db2.gz WMAFMUCWXCARLK-IRXDYDNUSA-N 1 2 343.475 2.220 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2cnn(CC)n2)C1 ZINC001049713024 1241961004 /nfs/dbraw/zinc/96/10/04/1241961004.db2.gz WMAFMUCWXCARLK-IRXDYDNUSA-N 1 2 343.475 2.220 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC001049903799 1242629150 /nfs/dbraw/zinc/62/91/50/1242629150.db2.gz ZRYNYHJHBPWWDD-ROUUACIJSA-N 1 2 338.411 2.372 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC001049903799 1242629164 /nfs/dbraw/zinc/62/91/64/1242629164.db2.gz ZRYNYHJHBPWWDD-ROUUACIJSA-N 1 2 338.411 2.372 20 30 EEEDLO CCc1nc(C[N@@H+]2C[C@@H]3CCCN(C(=O)[C@H](C)C#N)[C@@H]3C2)cs1 ZINC001049996204 1242995317 /nfs/dbraw/zinc/99/53/17/1242995317.db2.gz WBHKFQWMVZLJOE-VNHYZAJKSA-N 1 2 332.473 2.288 20 30 EEEDLO CCc1nc(C[N@H+]2C[C@@H]3CCCN(C(=O)[C@H](C)C#N)[C@@H]3C2)cs1 ZINC001049996204 1242995323 /nfs/dbraw/zinc/99/53/23/1242995323.db2.gz WBHKFQWMVZLJOE-VNHYZAJKSA-N 1 2 332.473 2.288 20 30 EEEDLO C=CCCC(=O)N1CC[C@H](Nc2[nH+]c(C)nc(-n3cccn3)c2C)C1 ZINC001096929921 1243475041 /nfs/dbraw/zinc/47/50/41/1243475041.db2.gz RXQOBTFELJZJNB-HNNXBMFYSA-N 1 2 340.431 2.258 20 30 EEEDLO Cc1nc(NCC2CCN(C(=O)[C@H](C)C#N)CC2)c2c([nH+]1)CCCC2 ZINC001057479537 1243921937 /nfs/dbraw/zinc/92/19/37/1243921937.db2.gz SSIRYKXKYYXODJ-CYBMUJFWSA-N 1 2 341.459 2.474 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[NH+](Cc1nc(C)no1)CC2 ZINC001050644110 1244019245 /nfs/dbraw/zinc/01/92/45/1244019245.db2.gz AEBQLRNVEDDOTB-KRWDZBQOSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[NH+](Cc1ncnn1CC)CC2 ZINC001050645686 1244024521 /nfs/dbraw/zinc/02/45/21/1244024521.db2.gz UYHBUGRFIYJRBI-GOSISDBHSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001097376475 1244070298 /nfs/dbraw/zinc/07/02/98/1244070298.db2.gz LWYQCSCZCZRXAP-CQSZACIVSA-N 1 2 342.447 2.370 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc(Cl)cn1)C2 ZINC001111449590 1244212301 /nfs/dbraw/zinc/21/23/01/1244212301.db2.gz CLEGXYJROHJJMG-MCIONIFRSA-N 1 2 343.258 2.401 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc(Cl)cn1)C2 ZINC001111449590 1244212308 /nfs/dbraw/zinc/21/23/08/1244212308.db2.gz CLEGXYJROHJJMG-MCIONIFRSA-N 1 2 343.258 2.401 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001097499180 1244271912 /nfs/dbraw/zinc/27/19/12/1244271912.db2.gz BOIHJOGWUBWWQZ-HNNXBMFYSA-N 1 2 346.479 2.395 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CC)[nH]c(=O)c1)C2 ZINC001097554514 1244355228 /nfs/dbraw/zinc/35/52/28/1244355228.db2.gz IWWSGYGCQWZLMV-KFWWJZLASA-N 1 2 335.835 2.437 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CC)[nH]c(=O)c1)C2 ZINC001097554514 1244355236 /nfs/dbraw/zinc/35/52/36/1244355236.db2.gz IWWSGYGCQWZLMV-KFWWJZLASA-N 1 2 335.835 2.437 20 30 EEEDLO C=CCOCC(=O)N1CC[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001098512452 1244412958 /nfs/dbraw/zinc/41/29/58/1244412958.db2.gz CSCYACDGJULSCJ-AWEZNQCLSA-N 1 2 330.432 2.125 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]21 ZINC001097583629 1244416174 /nfs/dbraw/zinc/41/61/74/1244416174.db2.gz FJJKSDTZNIZJMT-NFPNPXPFSA-N 1 2 328.460 2.411 20 30 EEEDLO C=CCCC(=O)NC[C@H](C)Nc1[nH+]c(C)nc(-n2cccn2)c1C ZINC001097714743 1244530689 /nfs/dbraw/zinc/53/06/89/1244530689.db2.gz DYNGFNZIXSLYQK-LBPRGKRZSA-N 1 2 328.420 2.162 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc(CC(C)C)[nH]1 ZINC001050919737 1244626832 /nfs/dbraw/zinc/62/68/32/1244626832.db2.gz QMNPYNWHBUFGKX-HNNXBMFYSA-N 1 2 334.464 2.005 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc(CC(C)C)[nH]1 ZINC001050919737 1244626840 /nfs/dbraw/zinc/62/68/40/1244626840.db2.gz QMNPYNWHBUFGKX-HNNXBMFYSA-N 1 2 334.464 2.005 20 30 EEEDLO C=C(Cl)CN1CCOC[C@@H]1CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001051037689 1244888582 /nfs/dbraw/zinc/88/85/82/1244888582.db2.gz NBDGFILFFOUUMV-HNNXBMFYSA-N 1 2 337.851 2.190 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(OC(C)C)n1 ZINC001051187545 1245365294 /nfs/dbraw/zinc/36/52/94/1245365294.db2.gz YYYSHKVYYNDSAQ-MRXNPFEDSA-N 1 2 347.459 2.266 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(OC(C)C)n1 ZINC001051187545 1245365298 /nfs/dbraw/zinc/36/52/98/1245365298.db2.gz YYYSHKVYYNDSAQ-MRXNPFEDSA-N 1 2 347.459 2.266 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(CCC)c1C1CC1 ZINC001051201514 1245382487 /nfs/dbraw/zinc/38/24/87/1245382487.db2.gz NPRCYUUZEPSZNE-MRXNPFEDSA-N 1 2 346.475 2.177 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(CCC)c1C1CC1 ZINC001051201514 1245382500 /nfs/dbraw/zinc/38/25/00/1245382500.db2.gz NPRCYUUZEPSZNE-MRXNPFEDSA-N 1 2 346.475 2.177 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC001051240541 1245429294 /nfs/dbraw/zinc/42/92/94/1245429294.db2.gz GVSRDDZBBIXMGN-OAHLLOKOSA-N 1 2 344.415 2.067 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC001051240541 1245429297 /nfs/dbraw/zinc/42/92/97/1245429297.db2.gz GVSRDDZBBIXMGN-OAHLLOKOSA-N 1 2 344.415 2.067 20 30 EEEDLO C=CCOCC(=O)N1C[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@@]2(C)C1 ZINC001101175193 1245481716 /nfs/dbraw/zinc/48/17/16/1245481716.db2.gz ICJSYBCQHDEWKP-KKBJXVJBSA-N 1 2 333.259 2.288 20 30 EEEDLO C=CCOCC(=O)N1C[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@@]2(C)C1 ZINC001101175193 1245481721 /nfs/dbraw/zinc/48/17/21/1245481721.db2.gz ICJSYBCQHDEWKP-KKBJXVJBSA-N 1 2 333.259 2.288 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCCN(CCC)c1[nH+]cnc2c1cnn2C ZINC001101216256 1245530133 /nfs/dbraw/zinc/53/01/33/1245530133.db2.gz BSIYXBLSLIPXHR-UHFFFAOYSA-N 1 2 344.463 2.298 20 30 EEEDLO C#CCCCC(=O)N1C[C@H]2C[N@@H+]([C@H](C)c3csnn3)C[C@@]2(C)C1 ZINC001101217629 1245530465 /nfs/dbraw/zinc/53/04/65/1245530465.db2.gz DRRUKKDNOTYVOR-CPUCHLNUSA-N 1 2 332.473 2.183 20 30 EEEDLO C#CCCCC(=O)N1C[C@H]2C[N@H+]([C@H](C)c3csnn3)C[C@@]2(C)C1 ZINC001101217629 1245530471 /nfs/dbraw/zinc/53/04/71/1245530471.db2.gz DRRUKKDNOTYVOR-CPUCHLNUSA-N 1 2 332.473 2.183 20 30 EEEDLO C#CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)C)o3)C[C@@]2(C)C1 ZINC001101217224 1245530623 /nfs/dbraw/zinc/53/06/23/1245530623.db2.gz UUFCUCMKGQTPGQ-BEFAXECRSA-N 1 2 344.459 2.277 20 30 EEEDLO C#CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)C)o3)C[C@@]2(C)C1 ZINC001101217224 1245530629 /nfs/dbraw/zinc/53/06/29/1245530629.db2.gz UUFCUCMKGQTPGQ-BEFAXECRSA-N 1 2 344.459 2.277 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001051671747 1246007467 /nfs/dbraw/zinc/00/74/67/1246007467.db2.gz MAQLGEUJALPVHC-HOCLYGCPSA-N 1 2 344.459 2.074 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1([C@H]3CCCCO3)CCC1)CCO2 ZINC001053338796 1246206894 /nfs/dbraw/zinc/20/68/94/1246206894.db2.gz OQFKDTUBXZGTLL-QGZVFWFLSA-N 1 2 348.487 2.215 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc3cc(F)ccc3[nH]1)CCO2 ZINC001053367134 1246241784 /nfs/dbraw/zinc/24/17/84/1246241784.db2.gz WUZKMQQDOKSHSL-UHFFFAOYSA-N 1 2 343.402 2.410 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc3cccnc3c1)CCO2 ZINC001053475032 1246374242 /nfs/dbraw/zinc/37/42/42/1246374242.db2.gz DMTMCCXSTPIEDU-UHFFFAOYSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCO[C@@H](CCC)C1)CCO2 ZINC001053488388 1246385140 /nfs/dbraw/zinc/38/51/40/1246385140.db2.gz UKAMDCLROUQAHE-SJORKVTESA-N 1 2 336.476 2.071 20 30 EEEDLO Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c(Cl)c1 ZINC001052087217 1246466882 /nfs/dbraw/zinc/46/68/82/1246466882.db2.gz PJBMOOUKSIGCNK-HNNXBMFYSA-N 1 2 346.862 2.004 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)c3ccc(C)o3)C2)CC1 ZINC001052093570 1246472457 /nfs/dbraw/zinc/47/24/57/1246472457.db2.gz RBFGNRWYEIUQMW-ZWKOTPCHSA-N 1 2 345.487 2.486 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(C(F)F)o3)C2)CC1 ZINC001052111709 1246492603 /nfs/dbraw/zinc/49/26/03/1246492603.db2.gz BVQIQOSSTIANQD-ZDUSSCGKSA-N 1 2 339.386 2.235 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1conc1C1CC1)O2 ZINC001053658933 1246603280 /nfs/dbraw/zinc/60/32/80/1246603280.db2.gz JNTMSLXDCVDFTA-AWEZNQCLSA-N 1 2 331.416 2.091 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn(CC)nc1C(C)C)O2 ZINC001053668606 1246616097 /nfs/dbraw/zinc/61/60/97/1246616097.db2.gz NHVDVIWXNBUXPI-OAHLLOKOSA-N 1 2 346.475 2.176 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc3cc[nH]c3c1)O2 ZINC001053671234 1246620825 /nfs/dbraw/zinc/62/08/25/1246620825.db2.gz DSBQAORSZWANPM-MRXNPFEDSA-N 1 2 325.412 2.317 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nc(CC)oc1C)O2 ZINC001053677312 1246630835 /nfs/dbraw/zinc/63/08/35/1246630835.db2.gz VFUNXPTYKVQHRT-CQSZACIVSA-N 1 2 333.432 2.085 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc(F)c1OCC)O2 ZINC001053679509 1246634336 /nfs/dbraw/zinc/63/43/36/1246634336.db2.gz FTYGUFWMADQJKN-AWEZNQCLSA-N 1 2 348.418 2.374 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc(CC(C)C)s1)O2 ZINC001053703610 1246682588 /nfs/dbraw/zinc/68/25/88/1246682588.db2.gz KWEMOXJJNPPHDC-AWEZNQCLSA-N 1 2 349.500 2.491 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1(c3ccc(F)cc3)CC1)CO2 ZINC001053822368 1246847217 /nfs/dbraw/zinc/84/72/17/1246847217.db2.gz LVTUJZNEFITRPB-KRWDZBQOSA-N 1 2 344.430 2.393 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3cc(C)cn3c1)CO2 ZINC001053824839 1246850328 /nfs/dbraw/zinc/85/03/28/1246850328.db2.gz GKBCWTCGJBXHHS-QGZVFWFLSA-N 1 2 339.439 2.397 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(COC)cs1)CO2 ZINC001053859277 1246922345 /nfs/dbraw/zinc/92/23/45/1246922345.db2.gz FRBIDJLGUJFBKV-CQSZACIVSA-N 1 2 336.457 2.044 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3ccccn3c1)CO2 ZINC001053945694 1247047718 /nfs/dbraw/zinc/04/77/18/1247047718.db2.gz DUGRGXWCTVFISG-MRXNPFEDSA-N 1 2 325.412 2.089 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)csc1Cl)CO2 ZINC001053993747 1247122879 /nfs/dbraw/zinc/12/28/79/1247122879.db2.gz SJOCJPZFRGUDIP-GFCCVEGCSA-N 1 2 338.860 2.306 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccnc(OC)c1 ZINC001054045036 1247218751 /nfs/dbraw/zinc/21/87/51/1247218751.db2.gz JWAINJZMYRKCRD-LJQANCHMSA-N 1 2 349.434 2.270 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccnc(OC)c1 ZINC001054045036 1247218760 /nfs/dbraw/zinc/21/87/60/1247218760.db2.gz JWAINJZMYRKCRD-LJQANCHMSA-N 1 2 349.434 2.270 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C)nn1CC ZINC001054054326 1247247776 /nfs/dbraw/zinc/24/77/76/1247247776.db2.gz NTJXWNFLPOFFIH-SFHVURJKSA-N 1 2 336.439 2.001 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C)nn1CC ZINC001054054326 1247247781 /nfs/dbraw/zinc/24/77/81/1247247781.db2.gz NTJXWNFLPOFFIH-SFHVURJKSA-N 1 2 336.439 2.001 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001057771659 1247450293 /nfs/dbraw/zinc/45/02/93/1247450293.db2.gz LQGXOHQHDWYVST-OAHLLOKOSA-N 1 2 325.416 2.489 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1ccnc1C)C2 ZINC001054240734 1247834530 /nfs/dbraw/zinc/83/45/30/1247834530.db2.gz AEVSSIAPYRLOAA-QGZVFWFLSA-N 1 2 336.867 2.259 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1ccnc1C)C2 ZINC001054240734 1247834546 /nfs/dbraw/zinc/83/45/46/1247834546.db2.gz AEVSSIAPYRLOAA-QGZVFWFLSA-N 1 2 336.867 2.259 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc4[nH]ccc4n3)cc2C1 ZINC001054274094 1247973439 /nfs/dbraw/zinc/97/34/39/1247973439.db2.gz QYRSJMQBEMLVNR-UHFFFAOYSA-N 1 2 330.391 2.442 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4[nH]ccc4n3)cc2C1 ZINC001054274094 1247973456 /nfs/dbraw/zinc/97/34/56/1247973456.db2.gz QYRSJMQBEMLVNR-UHFFFAOYSA-N 1 2 330.391 2.442 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(CC)[nH]c(=O)c3)cc2C1 ZINC001054274232 1247974016 /nfs/dbraw/zinc/97/40/16/1247974016.db2.gz YNNLCSKFRYIQQX-UHFFFAOYSA-N 1 2 335.407 2.228 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(CC)[nH]c(=O)c3)cc2C1 ZINC001054274232 1247974026 /nfs/dbraw/zinc/97/40/26/1247974026.db2.gz YNNLCSKFRYIQQX-UHFFFAOYSA-N 1 2 335.407 2.228 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CN(c3cc[nH+]c(C)n3)CC2(C)C)cc1 ZINC001068132528 1250397627 /nfs/dbraw/zinc/39/76/27/1250397627.db2.gz LOYMITDXWGBIMU-QGZVFWFLSA-N 1 2 334.423 2.411 20 30 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C=C(C)CCC(=O)N1CC[C@H](Nc2ncnc3c2C[N@H+](C)CC3)[C@H]1C ZINC001123067355 1310463494 /nfs/dbraw/zinc/46/34/94/1310463494.db2.gz KPJLKYDLVBGLHB-ZBFHGGJFSA-N 1 2 343.475 2.222 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)[C@H]1C ZINC001123067355 1310463501 /nfs/dbraw/zinc/46/35/01/1310463501.db2.gz KPJLKYDLVBGLHB-ZBFHGGJFSA-N 1 2 343.475 2.222 20 30 EEEDLO C=CCCOCC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001123487734 1310588558 /nfs/dbraw/zinc/58/85/58/1310588558.db2.gz RASSTXWCYWLKIF-GVDBMIGSSA-N 1 2 344.459 2.417 20 30 EEEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCc3sccc3C2)cc1F ZINC001142225928 1315528666 /nfs/dbraw/zinc/52/86/66/1315528666.db2.gz LEEOPCAPBICSLV-UHFFFAOYSA-N 1 2 329.400 2.433 20 30 EEEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCc3sccc3C2)cc1F ZINC001142225928 1315528670 /nfs/dbraw/zinc/52/86/70/1315528670.db2.gz LEEOPCAPBICSLV-UHFFFAOYSA-N 1 2 329.400 2.433 20 30 EEEDLO C=CCOc1ccc(C(=O)O[C@H](COC)C[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000842968959 1315808205 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C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC3CC3)nn2)[C@H]1CC ZINC001087776444 782225559 /nfs/dbraw/zinc/22/55/59/782225559.db2.gz CQJGJPFPZSBCMI-DZGCQCFKSA-N 1 2 337.855 2.023 20 30 EEEDLO CC[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001211880483 782332508 /nfs/dbraw/zinc/33/25/08/782332508.db2.gz VZKFFCFDTRNANJ-JCURWCKSSA-N 1 2 333.407 2.059 20 30 EEEDLO CC[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001211880483 782332521 /nfs/dbraw/zinc/33/25/21/782332521.db2.gz VZKFFCFDTRNANJ-JCURWCKSSA-N 1 2 333.407 2.059 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](F)CC3CCCCC3)[C@H]2C1 ZINC001083249326 760707425 /nfs/dbraw/zinc/70/74/25/760707425.db2.gz YNWJEPOLZAQFEH-FGTMMUONSA-N 1 2 336.451 2.230 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](F)CC3CCCCC3)[C@H]2C1 ZINC001083249326 760707429 /nfs/dbraw/zinc/70/74/29/760707429.db2.gz YNWJEPOLZAQFEH-FGTMMUONSA-N 1 2 336.451 2.230 20 30 EEEDLO C#CCOCCC(=O)N1CCCC[C@H]1CCNc1cc[nH+]c(C)n1 ZINC001105068943 768987277 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Cn1ccc(C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)c1 ZINC001031607821 770166511 /nfs/dbraw/zinc/16/65/11/770166511.db2.gz LANRCASZODLYQL-UHFFFAOYSA-N 1 2 341.842 2.392 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C(C)C)CC[C@@H]2C1 ZINC001088066338 782843766 /nfs/dbraw/zinc/84/37/66/782843766.db2.gz GIYGEERURCRRDC-CVEARBPZSA-N 1 2 345.491 2.352 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C(C)C)CC[C@@H]2C1 ZINC001088066338 782843774 /nfs/dbraw/zinc/84/37/74/782843774.db2.gz GIYGEERURCRRDC-CVEARBPZSA-N 1 2 345.491 2.352 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCO1 ZINC001027827910 770846783 /nfs/dbraw/zinc/84/67/83/770846783.db2.gz BSBLMRPVHBAOJJ-QWHCGFSZSA-N 1 2 331.254 2.045 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCO1 ZINC001027827910 770846790 /nfs/dbraw/zinc/84/67/90/770846790.db2.gz BSBLMRPVHBAOJJ-QWHCGFSZSA-N 1 2 331.254 2.045 20 30 EEEDLO N#Cc1ccc(NCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000921205065 773230532 /nfs/dbraw/zinc/23/05/32/773230532.db2.gz NISVTGGUJOBHGW-UHFFFAOYSA-N 1 2 331.379 2.472 20 30 EEEDLO Cc1nc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)co1 ZINC001027842765 773395845 /nfs/dbraw/zinc/39/58/45/773395845.db2.gz KDWOWGHDFGTPBC-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)co1 ZINC001027842765 773395854 /nfs/dbraw/zinc/39/58/54/773395854.db2.gz KDWOWGHDFGTPBC-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO C[C@@H](CCCCNc1ccc(C#N)nc1)NC(=O)CCn1cc[nH+]c1 ZINC001090124937 783123823 /nfs/dbraw/zinc/12/38/23/783123823.db2.gz BKPWQCAEZRADMN-HNNXBMFYSA-N 1 2 340.431 2.327 20 30 EEEDLO C[C@H]1CCc2ccccc2N1C(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000179924450 774372322 /nfs/dbraw/zinc/37/23/22/774372322.db2.gz OXFDYYJNIDHXCS-AWEZNQCLSA-N 1 2 338.411 2.281 20 30 EEEDLO CCc1nc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)c(C)o1 ZINC001032047422 783182435 /nfs/dbraw/zinc/18/24/35/783182435.db2.gz FSVRWDAXMMZAGT-UHFFFAOYSA-N 1 2 344.440 2.340 20 30 EEEDLO 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/nfs/dbraw/zinc/40/27/62/775402762.db2.gz LNJZKNVKCNROBN-SFHVURJKSA-N 1 2 327.428 2.162 20 30 EEEDLO CCO[C@@H]1C[C@@H]1C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000980750484 775445628 /nfs/dbraw/zinc/44/56/28/775445628.db2.gz IOXZLWNRARSQCX-FUHWJXTLSA-N 1 2 345.418 2.157 20 30 EEEDLO CCO[C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000980750484 775445634 /nfs/dbraw/zinc/44/56/34/775445634.db2.gz IOXZLWNRARSQCX-FUHWJXTLSA-N 1 2 345.418 2.157 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000060455269 790369314 /nfs/dbraw/zinc/36/93/14/790369314.db2.gz GWCZICNTQQNCMZ-XJKSGUPXSA-N 1 2 333.432 2.221 20 30 EEEDLO Cn1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3F)CC2)c1 ZINC000980969416 776202376 /nfs/dbraw/zinc/20/23/76/776202376.db2.gz RNQALVSIMLWPHQ-UHFFFAOYSA-N 1 2 340.402 2.384 20 30 EEEDLO Cn1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3F)CC2)c1 ZINC000980969416 776202382 /nfs/dbraw/zinc/20/23/82/776202382.db2.gz RNQALVSIMLWPHQ-UHFFFAOYSA-N 1 2 340.402 2.384 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c(OC)ccnc1OC ZINC001028023053 776284286 /nfs/dbraw/zinc/28/42/86/776284286.db2.gz SCCXKRMPZUTZST-GFCCVEGCSA-N 1 2 339.823 2.046 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(OC)ccnc1OC ZINC001028023053 776284295 /nfs/dbraw/zinc/28/42/95/776284295.db2.gz SCCXKRMPZUTZST-GFCCVEGCSA-N 1 2 339.823 2.046 20 30 EEEDLO C[C@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000981051435 776442508 /nfs/dbraw/zinc/44/25/08/776442508.db2.gz DTFORNIYVIOGTE-VQIMIIECSA-N 1 2 341.455 2.408 20 30 EEEDLO C[C@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000981051435 776442512 /nfs/dbraw/zinc/44/25/12/776442512.db2.gz DTFORNIYVIOGTE-VQIMIIECSA-N 1 2 341.455 2.408 20 30 EEEDLO C[C@H]1CO[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3F)CC2)C1 ZINC000981645961 777906912 /nfs/dbraw/zinc/90/69/12/777906912.db2.gz HNPMYJFBEQSJRQ-RDTXWAMCSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@H]1CO[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3F)CC2)C1 ZINC000981645961 777906916 /nfs/dbraw/zinc/90/69/16/777906916.db2.gz HNPMYJFBEQSJRQ-RDTXWAMCSA-N 1 2 345.418 2.157 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N(CC)CCNc1[nH+]cnc2c1cnn2C ZINC001106923652 778777585 /nfs/dbraw/zinc/77/75/85/778777585.db2.gz DLUJDICYWWILLX-OLZOCXBDSA-N 1 2 330.436 2.082 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ncc(C)o1 ZINC001028197841 778855043 /nfs/dbraw/zinc/85/50/43/778855043.db2.gz RVAXEUAZRJQRJS-VYDXJSESSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ncc(C)o1 ZINC001028197841 778855049 /nfs/dbraw/zinc/85/50/49/778855049.db2.gz RVAXEUAZRJQRJS-VYDXJSESSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@@H]2CCCCN2C(C)=O)CC1 ZINC000982179138 779220043 /nfs/dbraw/zinc/22/00/43/779220043.db2.gz OANMXFXFRNNWPI-INIZCTEOSA-N 1 2 341.883 2.064 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCCCN2C(C)=O)CC1 ZINC000982179138 779220049 /nfs/dbraw/zinc/22/00/49/779220049.db2.gz OANMXFXFRNNWPI-INIZCTEOSA-N 1 2 341.883 2.064 20 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783346125 /nfs/dbraw/zinc/34/61/25/783346125.db2.gz JBNGOOJTBNULJT-UONOGXRCSA-N 1 2 333.436 2.043 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCCCC[C@@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001088280810 783349695 /nfs/dbraw/zinc/34/96/95/783349695.db2.gz AYTCBNZIJJETTP-WDEREUQCSA-N 1 2 341.362 2.028 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2nc(C)c3cccnc32)C1 ZINC001033285064 783373498 /nfs/dbraw/zinc/37/34/98/783373498.db2.gz HBAKZWXFCYXPMM-CQSZACIVSA-N 1 2 347.850 2.025 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2nc(C)c3cccnc32)C1 ZINC001033285064 783373511 /nfs/dbraw/zinc/37/35/11/783373511.db2.gz HBAKZWXFCYXPMM-CQSZACIVSA-N 1 2 347.850 2.025 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CCOCC)CC[C@@H]1C ZINC001131874651 783378755 /nfs/dbraw/zinc/37/87/55/783378755.db2.gz BLTFWOBNSLQVQQ-STQMWFEESA-N 1 2 333.270 2.291 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CCOCC)CC[C@@H]1C ZINC001131874651 783378766 /nfs/dbraw/zinc/37/87/66/783378766.db2.gz BLTFWOBNSLQVQQ-STQMWFEESA-N 1 2 333.270 2.291 20 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783557030 /nfs/dbraw/zinc/55/70/30/783557030.db2.gz IFSCFXFGOCSEDV-MAUKXSAKSA-N 1 2 334.423 2.365 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cc4n(n3)CCC4)C2)cc1 ZINC001033321727 783557394 /nfs/dbraw/zinc/55/73/94/783557394.db2.gz ILRWLCJDNSSHIT-FQEVSTJZSA-N 1 2 348.450 2.157 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cc4n(n3)CCC4)C2)cc1 ZINC001033321727 783557405 /nfs/dbraw/zinc/55/74/05/783557405.db2.gz ILRWLCJDNSSHIT-FQEVSTJZSA-N 1 2 348.450 2.157 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1)OCC ZINC001091484255 790961959 /nfs/dbraw/zinc/96/19/59/790961959.db2.gz YGKJZYVUODPAJQ-BZUAXINKSA-N 1 2 332.448 2.463 20 30 EEEDLO Cc1nc(N[C@@H](C)C2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)cc[nH+]1 ZINC001061833617 783670208 /nfs/dbraw/zinc/67/02/08/783670208.db2.gz DNUJJBHDMWSJQX-LBPRGKRZSA-N 1 2 338.415 2.338 20 30 EEEDLO CC[N@H+](Cc1cn(Cc2ncon2)nn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000906258107 783805050 /nfs/dbraw/zinc/80/50/50/783805050.db2.gz GMAHAVIQIOZRBU-ZDUSSCGKSA-N 1 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/nfs/dbraw/zinc/49/75/03/784497503.db2.gz DMJBPXOAPMADHI-LJQANCHMSA-N 1 2 328.456 2.185 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc3cccnc32)C1 ZINC001035430242 784511507 /nfs/dbraw/zinc/51/15/07/784511507.db2.gz ANQGMHJDGOJFNO-MRXNPFEDSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccc3cccnc32)C1 ZINC001035430242 784511512 /nfs/dbraw/zinc/51/15/12/784511512.db2.gz ANQGMHJDGOJFNO-MRXNPFEDSA-N 1 2 325.412 2.242 20 30 EEEDLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C1 ZINC000817282859 784624834 /nfs/dbraw/zinc/62/48/34/784624834.db2.gz OQSSLUWBMGGHSL-BKQORJHRSA-N 1 2 341.455 2.077 20 30 EEEDLO CC(=O)N[C@H]1CC[N@H+](CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C1 ZINC000817282859 784624844 /nfs/dbraw/zinc/62/48/44/784624844.db2.gz OQSSLUWBMGGHSL-BKQORJHRSA-N 1 2 341.455 2.077 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnn(C(C)C)c2C2CC2)C1 ZINC001035574184 784710336 /nfs/dbraw/zinc/71/03/36/784710336.db2.gz PWHYQIAMUZEVRB-MRXNPFEDSA-N 1 2 346.475 2.348 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnn(C(C)C)c2C2CC2)C1 ZINC001035574184 784710341 /nfs/dbraw/zinc/71/03/41/784710341.db2.gz PWHYQIAMUZEVRB-MRXNPFEDSA-N 1 2 346.475 2.348 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc3c(s2)CC[C@@H](C)C3)C1 ZINC001035602317 784763796 /nfs/dbraw/zinc/76/37/96/784763796.db2.gz GGWFPDXUPYJYDK-UKRRQHHQSA-N 1 2 334.485 2.490 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc3c(s2)CC[C@@H](C)C3)C1 ZINC001035602317 784763800 /nfs/dbraw/zinc/76/38/00/784763800.db2.gz GGWFPDXUPYJYDK-UKRRQHHQSA-N 1 2 334.485 2.490 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cccnc1OC)CC2 ZINC001035782401 785118146 /nfs/dbraw/zinc/11/81/46/785118146.db2.gz NNWXPQKKYTVWBI-UHFFFAOYSA-N 1 2 335.835 2.381 20 30 EEEDLO CCOc1cc2c(cc1NC[C@H](O)C[N@H+](C)CCC#N)O[C@@H](C)C2 ZINC000819426774 785558736 /nfs/dbraw/zinc/55/87/36/785558736.db2.gz KNNZUITYLHPUEM-ZFWWWQNUSA-N 1 2 333.432 2.027 20 30 EEEDLO CCOc1cc2c(cc1NC[C@H](O)C[N@@H+](C)CCC#N)O[C@@H](C)C2 ZINC000819426774 785558743 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333.480 2.399 20 30 EEEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)nn2)C1 ZINC001107219249 786475803 /nfs/dbraw/zinc/47/58/03/786475803.db2.gz MZIVTDGCJWIDRO-LSDHHAIUSA-N 1 2 345.491 2.093 20 30 EEEDLO C=CCCOCC(=O)NC/C=C\CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107236700 786586293 /nfs/dbraw/zinc/58/62/93/786586293.db2.gz VXIRLQHXZQEDJD-WAYWQWQTSA-N 1 2 330.432 2.339 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001062185989 787594546 /nfs/dbraw/zinc/59/45/46/787594546.db2.gz BYLRSORSMDSWFN-INIZCTEOSA-N 1 2 339.443 2.371 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001062264211 787722885 /nfs/dbraw/zinc/72/28/85/787722885.db2.gz LWUBUYSXHXUVGU-MRXNPFEDSA-N 1 2 346.475 2.373 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3ccncc3c2)[C@H](O)C1 ZINC001090700487 787860464 /nfs/dbraw/zinc/86/04/64/787860464.db2.gz KEZZBDDULZGFEK-DLBZAZTESA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3ccncc3c2)[C@H](O)C1 ZINC001090700487 787860477 /nfs/dbraw/zinc/86/04/77/787860477.db2.gz KEZZBDDULZGFEK-DLBZAZTESA-N 1 2 345.830 2.152 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001062316579 787880033 /nfs/dbraw/zinc/88/00/33/787880033.db2.gz ZJLRGIOMVYKRKJ-JKSUJKDBSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001062325489 787894219 /nfs/dbraw/zinc/89/42/19/787894219.db2.gz OIMLPENVBPXSNX-CQSZACIVSA-N 1 2 332.448 2.052 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cncc(F)c2)c1 ZINC001032350393 788100107 /nfs/dbraw/zinc/10/01/07/788100107.db2.gz KSEPHIISJXMXSY-ROUUACIJSA-N 1 2 336.370 2.191 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cncc(F)c2)c1 ZINC001032350393 788100109 /nfs/dbraw/zinc/10/01/09/788100109.db2.gz KSEPHIISJXMXSY-ROUUACIJSA-N 1 2 336.370 2.191 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001079019555 788280310 /nfs/dbraw/zinc/28/03/10/788280310.db2.gz MXIMRVMAFDFPPU-MRXNPFEDSA-N 1 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798672923 /nfs/dbraw/zinc/67/29/23/798672923.db2.gz LIGOWIFCJFXRMF-SJORKVTESA-N 1 2 348.443 2.014 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CC[C@H]2OCC[N@H+](CCCCCF)[C@@H]2C1 ZINC001177006414 798691810 /nfs/dbraw/zinc/69/18/10/798691810.db2.gz PHCAPEIOFIQSEB-IAGOWNOFSA-N 1 2 338.467 2.477 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CC[C@H]2OCC[N@@H+](CCCCCF)[C@@H]2C1 ZINC001177006414 798691814 /nfs/dbraw/zinc/69/18/14/798691814.db2.gz PHCAPEIOFIQSEB-IAGOWNOFSA-N 1 2 338.467 2.477 20 30 EEEDLO Cc1nc(N2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)c(C)c(C)[nH+]1 ZINC001065234536 798811290 /nfs/dbraw/zinc/81/12/90/798811290.db2.gz ISDPYAGROMPMHP-SFHVURJKSA-N 1 2 338.415 2.000 20 30 EEEDLO CC/C=C\CC[N@@H+]1CCn2ncc(CNC(=O)C#CC3CC3)c2C1 ZINC001128347024 798990193 /nfs/dbraw/zinc/99/01/93/798990193.db2.gz ILIXWSCYAMQPPL-ARJAWSKDSA-N 1 2 326.444 2.085 20 30 EEEDLO CC/C=C\CC[N@H+]1CCn2ncc(CNC(=O)C#CC3CC3)c2C1 ZINC001128347024 798990197 /nfs/dbraw/zinc/99/01/97/798990197.db2.gz ILIXWSCYAMQPPL-ARJAWSKDSA-N 1 2 326.444 2.085 20 30 EEEDLO C=CCCOCCCCC(=O)NCc1cnn2c1C[N@H+](C(C)C)CC2 ZINC001128351411 799009638 /nfs/dbraw/zinc/00/96/38/799009638.db2.gz ZNVYTGUTOHDWJD-UHFFFAOYSA-N 1 2 348.491 2.486 20 30 EEEDLO C=CCCOCCCCC(=O)NCc1cnn2c1C[N@@H+](C(C)C)CC2 ZINC001128351411 799009643 /nfs/dbraw/zinc/00/96/43/799009643.db2.gz ZNVYTGUTOHDWJD-UHFFFAOYSA-N 1 2 348.491 2.486 20 30 EEEDLO C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)C[C@H]2C[C@H]2C)C1 ZINC001177551473 799025188 /nfs/dbraw/zinc/02/51/88/799025188.db2.gz NJDVCAWGKLWGMH-IEBWSBKVSA-N 1 2 340.467 2.131 20 30 EEEDLO N#Cc1ncc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1C(F)(F)F ZINC001178100669 799264632 /nfs/dbraw/zinc/26/46/32/799264632.db2.gz BTJYSSCVPIVSCV-VIFPVBQESA-N 1 2 335.289 2.370 20 30 EEEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nnc(Cc2ccccc2)o1 ZINC001128414064 799346984 /nfs/dbraw/zinc/34/69/84/799346984.db2.gz VCBOXZPDSXMLSJ-UHFFFAOYSA-N 1 2 328.416 2.223 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C(C)=C/CC)C2)CC1 ZINC001065691516 799365735 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EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccnc3ccccc32)C1 ZINC001108059139 800073742 /nfs/dbraw/zinc/07/37/42/800073742.db2.gz JHDGYLPQFNNZJB-IBGZPJMESA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)c2nnc(C)o2)CC1 ZINC001003788904 800184928 /nfs/dbraw/zinc/18/49/28/800184928.db2.gz RSHNSDHJSWHMBR-KCXAZCMYSA-N 1 2 348.447 2.001 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)no1 ZINC001032891611 800280612 /nfs/dbraw/zinc/28/06/12/800280612.db2.gz QOKXJIMWOBULDX-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)no1 ZINC001032891611 800280615 /nfs/dbraw/zinc/28/06/15/800280615.db2.gz QOKXJIMWOBULDX-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)sc2C)C[C@H]1O ZINC001099957388 800306366 /nfs/dbraw/zinc/30/63/66/800306366.db2.gz PVFZSFPIAVXSOZ-UKRRQHHQSA-N 1 2 337.489 2.024 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2nc(C)sc2C)C[C@H]1O ZINC001099957388 800306372 /nfs/dbraw/zinc/30/63/72/800306372.db2.gz PVFZSFPIAVXSOZ-UKRRQHHQSA-N 1 2 337.489 2.024 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2[nH]ncc2F)s1 ZINC001085323236 800362922 /nfs/dbraw/zinc/36/29/22/800362922.db2.gz XUBZFHLGZLVSFJ-ZIAGYGMSSA-N 1 2 347.419 2.313 20 30 EEEDLO Cc1c[nH]c(CCNC(=O)C2CCN(c3ccccc3C#N)CC2)[nH+]1 ZINC001180506341 800462632 /nfs/dbraw/zinc/46/26/32/800462632.db2.gz RXIHYKPCTWKGFN-UHFFFAOYSA-N 1 2 337.427 2.165 20 30 EEEDLO CN(C(=O)c1cncs1)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001032941974 800492235 /nfs/dbraw/zinc/49/22/35/800492235.db2.gz IAYAOEOQNMRIMP-INIZCTEOSA-N 1 2 325.437 2.341 20 30 EEEDLO CN(C(=O)c1cncs1)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001032941974 800492236 /nfs/dbraw/zinc/49/22/36/800492236.db2.gz IAYAOEOQNMRIMP-INIZCTEOSA-N 1 2 325.437 2.341 20 30 EEEDLO C#CCCCCC(=O)N1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001066259834 800528335 /nfs/dbraw/zinc/52/83/35/800528335.db2.gz CGCKOMSEAQNEKV-INIZCTEOSA-N 1 2 344.459 2.033 20 30 EEEDLO C#CCCCCC(=O)N1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001066259834 800528339 /nfs/dbraw/zinc/52/83/39/800528339.db2.gz CGCKOMSEAQNEKV-INIZCTEOSA-N 1 2 344.459 2.033 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)c1ccc[nH]1 ZINC001085483589 800612495 /nfs/dbraw/zinc/61/24/95/800612495.db2.gz GWHQVPZDAVKHEY-HNNXBMFYSA-N 1 2 326.375 2.372 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)c1ccc[nH]1 ZINC001085483589 800612498 /nfs/dbraw/zinc/61/24/98/800612498.db2.gz GWHQVPZDAVKHEY-HNNXBMFYSA-N 1 2 326.375 2.372 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001066277266 800780569 /nfs/dbraw/zinc/78/05/69/800780569.db2.gz CLOYFQIAGRUWEM-MRXNPFEDSA-N 1 2 346.475 2.390 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001033023383 800884339 /nfs/dbraw/zinc/88/43/39/800884339.db2.gz PBOTXWJAKIBKMY-SWLSCSKDSA-N 1 2 327.388 2.090 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+]2CC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001033023383 800884345 /nfs/dbraw/zinc/88/43/45/800884345.db2.gz PBOTXWJAKIBKMY-SWLSCSKDSA-N 1 2 327.388 2.090 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnoc1C ZINC001085641295 800955701 /nfs/dbraw/zinc/95/57/01/800955701.db2.gz INQRVXMFQZQCRE-INIZCTEOSA-N 1 2 328.416 2.317 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnoc1C ZINC001085641295 800955704 /nfs/dbraw/zinc/95/57/04/800955704.db2.gz INQRVXMFQZQCRE-INIZCTEOSA-N 1 2 328.416 2.317 20 30 EEEDLO CC[NH+](CC)[C@@H](C(=O)N1CCNC[C@H]1C#N)c1ccccc1Cl ZINC001182221814 801075636 /nfs/dbraw/zinc/07/56/36/801075636.db2.gz ACPWLIXTQGRCGM-CZUORRHYSA-N 1 2 334.851 2.047 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@@H](C)c2cnc(C)cn2)c1 ZINC001085809531 801328821 /nfs/dbraw/zinc/32/88/21/801328821.db2.gz GVGGHUKCIONFEP-YJBOKZPZSA-N 1 2 349.438 2.069 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C[C@@H]2CC[N@@H+]2[C@@H](C)c2cnc(C)cn2)c1 ZINC001085809531 801328829 /nfs/dbraw/zinc/32/88/29/801328829.db2.gz GVGGHUKCIONFEP-YJBOKZPZSA-N 1 2 349.438 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ZINC001437822336 1090414590 /nfs/dbraw/zinc/41/45/90/1090414590.db2.gz UQHVOUWWEKNPJZ-UHFFFAOYSA-N 1 2 338.864 2.271 20 30 EEEDLO C=C(Cl)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C(C)(C)C2CC2)n1 ZINC001440413565 1093607551 /nfs/dbraw/zinc/60/75/51/1093607551.db2.gz RIEXTFLBCFFWFG-UHFFFAOYSA-N 1 2 338.839 2.077 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1c[nH]nc1CC ZINC001440458586 1093677001 /nfs/dbraw/zinc/67/70/01/1093677001.db2.gz YEGOGMZNCCBLDE-UHFFFAOYSA-N 1 2 343.269 2.275 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1c[nH]nc1CC ZINC001440458586 1093677012 /nfs/dbraw/zinc/67/70/12/1093677012.db2.gz YEGOGMZNCCBLDE-UHFFFAOYSA-N 1 2 343.269 2.275 20 30 EEEDLO C[N@H+](CCNC(=O)CC[C@H]1CCCCO1)Cc1ccccc1C#N ZINC001442538606 1096900645 /nfs/dbraw/zinc/90/06/45/1096900645.db2.gz QWLFSAVOIXRCSX-GOSISDBHSA-N 1 2 329.444 2.456 20 30 EEEDLO C[N@@H+](CCNC(=O)CC[C@H]1CCCCO1)Cc1ccccc1C#N ZINC001442538606 1096900651 /nfs/dbraw/zinc/90/06/51/1096900651.db2.gz QWLFSAVOIXRCSX-GOSISDBHSA-N 1 2 329.444 2.456 20 30 EEEDLO C=C(Cl)C[NH2+][C@H](CC)CNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001444022711 1098540234 /nfs/dbraw/zinc/54/02/34/1098540234.db2.gz VSAVMFADLDVCDC-CQSZACIVSA-N 1 2 333.823 2.322 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc(OC)cc1OC ZINC001496829775 1101552586 /nfs/dbraw/zinc/55/25/86/1101552586.db2.gz VTRGLHOUWVHWIP-UHFFFAOYSA-N 1 2 326.824 2.460 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc(OC)cc1OC ZINC001496829775 1101552593 /nfs/dbraw/zinc/55/25/93/1101552593.db2.gz VTRGLHOUWVHWIP-UHFFFAOYSA-N 1 2 326.824 2.460 20 30 EEEDLO C[C@H](OCC1CC1)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001494537534 1104128524 /nfs/dbraw/zinc/12/85/24/1104128524.db2.gz VFUYUOHICGJKLO-ZDUSSCGKSA-N 1 2 345.418 2.060 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)Cc3ccco3)C2)c1 ZINC001494607424 1104193164 /nfs/dbraw/zinc/19/31/64/1104193164.db2.gz UYOMUKREFFQOEK-UHFFFAOYSA-N 1 2 327.359 2.081 20 30 EEEDLO Cc1cc(C)c(C(=O)N2CC[C@](C)(CNC(=O)[C@H](C)C#N)C2)c(C)[nH+]1 ZINC001453964610 1106621021 /nfs/dbraw/zinc/62/10/21/1106621021.db2.gz SDXTYCOKEFTKPN-BFUOFWGJSA-N 1 2 342.443 2.135 20 30 EEEDLO Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)CCCn1cc[nH+]c1 ZINC001460300887 1110261616 /nfs/dbraw/zinc/26/16/16/1110261616.db2.gz JLABMBVNUIGPHK-UHFFFAOYSA-N 1 2 335.371 2.063 20 30 EEEDLO C#CC[C@H](CC)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC(=C)C ZINC001523763193 1119853686 /nfs/dbraw/zinc/85/36/86/1119853686.db2.gz XRLPZLOXNAUZIW-KRWDZBQOSA-N 1 2 345.491 2.140 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000054395481 214236463 /nfs/dbraw/zinc/23/64/63/214236463.db2.gz KOKYAAQRJIOMDM-SFHVURJKSA-N 1 2 348.406 2.060 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000054395481 214236465 /nfs/dbraw/zinc/23/64/65/214236465.db2.gz KOKYAAQRJIOMDM-SFHVURJKSA-N 1 2 348.406 2.060 20 30 EEEDLO CN(CCC#N)c1ccc(C[N@H+](CCS(C)(=O)=O)C2CC2)cc1 ZINC000093816555 529869846 /nfs/dbraw/zinc/86/98/46/529869846.db2.gz QGJKOQVXZNULKG-UHFFFAOYSA-N 1 2 335.473 2.045 20 30 EEEDLO CN(CCC#N)c1ccc(C[N@@H+](CCS(C)(=O)=O)C2CC2)cc1 ZINC000093816555 529869847 /nfs/dbraw/zinc/86/98/47/529869847.db2.gz QGJKOQVXZNULKG-UHFFFAOYSA-N 1 2 335.473 2.045 20 30 EEEDLO N#CC1(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCOCC1 ZINC000109141329 237128769 /nfs/dbraw/zinc/12/87/69/237128769.db2.gz PEERUOYPNZODQB-UHFFFAOYSA-N 1 2 334.445 2.388 20 30 EEEDLO N#CCC[C@H](C#N)C[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000192530796 237318905 /nfs/dbraw/zinc/31/89/05/237318905.db2.gz QTNVFSBFAURXNS-OAHLLOKOSA-N 1 2 328.391 2.417 20 30 EEEDLO N#CCC[C@H](C#N)C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000192530796 237318913 /nfs/dbraw/zinc/31/89/13/237318913.db2.gz QTNVFSBFAURXNS-OAHLLOKOSA-N 1 2 328.391 2.417 20 30 EEEDLO CS(=O)(=O)C[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000292202199 238184444 /nfs/dbraw/zinc/18/44/44/238184444.db2.gz LXPPFADEQUGEDN-AWEZNQCLSA-N 1 2 345.386 2.423 20 30 EEEDLO CS(=O)(=O)C[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000292202199 238184446 /nfs/dbraw/zinc/18/44/46/238184446.db2.gz LXPPFADEQUGEDN-AWEZNQCLSA-N 1 2 345.386 2.423 20 30 EEEDLO N#CC1(c2ccccn2)CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000374408509 238274266 /nfs/dbraw/zinc/27/42/66/238274266.db2.gz HXEOYBYPJNMNJW-UHFFFAOYSA-N 1 2 345.406 2.356 20 30 EEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cncn3)C2)c(C#N)c1C ZINC000247070032 243367423 /nfs/dbraw/zinc/36/74/23/243367423.db2.gz GMNONJQVHAENGL-GXTWGEPZSA-N 1 2 342.403 2.024 20 30 EEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cncn3)C2)c(C#N)c1C ZINC000247070032 243367429 /nfs/dbraw/zinc/36/74/29/243367429.db2.gz GMNONJQVHAENGL-GXTWGEPZSA-N 1 2 342.403 2.024 20 30 EEEDLO C=CCC[C@@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)C(=O)OCC ZINC000456632119 244310400 /nfs/dbraw/zinc/31/04/00/244310400.db2.gz SZERWGIBKVNXMJ-SJORKVTESA-N 1 2 330.428 2.275 20 30 EEEDLO C=CCC[C@@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)C(=O)OCC ZINC000456632119 244310406 /nfs/dbraw/zinc/31/04/06/244310406.db2.gz SZERWGIBKVNXMJ-SJORKVTESA-N 1 2 330.428 2.275 20 30 EEEDLO N#Cc1ccc(CN[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)o1 ZINC000266128218 248115840 /nfs/dbraw/zinc/11/58/40/248115840.db2.gz CBOQUIRDARQWGW-LPHOPBHVSA-N 1 2 325.412 2.124 20 30 EEEDLO N#Cc1ccc(CN[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)o1 ZINC000266128218 248115843 /nfs/dbraw/zinc/11/58/43/248115843.db2.gz CBOQUIRDARQWGW-LPHOPBHVSA-N 1 2 325.412 2.124 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2Cl)[C@H]1CC ZINC001087626381 781969968 /nfs/dbraw/zinc/96/99/68/781969968.db2.gz XANQAGDCPWIKBO-NWDGAFQWSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2Cl)[C@H]1CC ZINC001087626381 781969983 /nfs/dbraw/zinc/96/99/83/781969983.db2.gz XANQAGDCPWIKBO-NWDGAFQWSA-N 1 2 331.247 2.409 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000153059828 224052708 /nfs/dbraw/zinc/05/27/08/224052708.db2.gz RBTZZUNZDINWDK-UHFFFAOYSA-N 1 2 346.456 2.035 20 30 EEEDLO C#CCN(CC)C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000491772616 533131812 /nfs/dbraw/zinc/13/18/12/533131812.db2.gz QYWVZSHTULQPMD-UHFFFAOYSA-N 1 2 325.210 2.397 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(Cc3cccc4ccccc43)n2C)CC1 ZINC000491100064 533158344 /nfs/dbraw/zinc/15/83/44/533158344.db2.gz FNBAXZXHLRVOHT-UHFFFAOYSA-N 1 2 345.450 2.314 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc3c(c2)CCO3)n1 ZINC000491677354 533218544 /nfs/dbraw/zinc/21/85/44/533218544.db2.gz YGOCKXRVVDCLFN-UHFFFAOYSA-N 1 2 325.412 2.100 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc3c(c2)CCO3)n1 ZINC000491677354 533218549 /nfs/dbraw/zinc/21/85/49/533218549.db2.gz YGOCKXRVVDCLFN-UHFFFAOYSA-N 1 2 325.412 2.100 20 30 EEEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3csnn3)CC2)c1 ZINC000271199151 256218713 /nfs/dbraw/zinc/21/87/13/256218713.db2.gz VTRQBNYGSQIOOB-UHFFFAOYSA-N 1 2 327.413 2.260 20 30 EEEDLO Cc1nnc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000273727847 256322418 /nfs/dbraw/zinc/32/24/18/256322418.db2.gz SSAHNECOIWKZQQ-IINYFYTJSA-N 1 2 327.413 2.174 20 30 EEEDLO C#C[C@@H]1COCCN1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000491700900 533271266 /nfs/dbraw/zinc/27/12/66/533271266.db2.gz TXRUOZIPHULERW-QGZVFWFLSA-N 1 2 342.443 2.006 20 30 EEEDLO CCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000083169830 159161000 /nfs/dbraw/zinc/16/10/00/159161000.db2.gz ABXHIQUUGCYVQE-IRXDYDNUSA-N 1 2 343.427 2.011 20 30 EEEDLO CCCNC(=O)[C@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000083169830 159161001 /nfs/dbraw/zinc/16/10/01/159161001.db2.gz ABXHIQUUGCYVQE-IRXDYDNUSA-N 1 2 343.427 2.011 20 30 EEEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCN(c3cccs3)CC2)c1 ZINC000341664483 161004066 /nfs/dbraw/zinc/00/40/66/161004066.db2.gz JWFMNDPYQIKMIW-UHFFFAOYSA-N 1 2 340.452 2.058 20 30 EEEDLO C[C@H]1CCCN1C(=O)CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341810440 161015212 /nfs/dbraw/zinc/01/52/12/161015212.db2.gz OEHBKQUWBQPREM-MAUKXSAKSA-N 1 2 327.428 2.333 20 30 EEEDLO C[C@H]1CCCN1C(=O)CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341810440 161015213 /nfs/dbraw/zinc/01/52/13/161015213.db2.gz OEHBKQUWBQPREM-MAUKXSAKSA-N 1 2 327.428 2.333 20 30 EEEDLO CNS(=O)(=O)c1cccc2c1CC[N@H+](Cc1cc(C#N)cs1)C2 ZINC000342825247 161093740 /nfs/dbraw/zinc/09/37/40/161093740.db2.gz QOECXACEPSKJEY-UHFFFAOYSA-N 1 2 347.465 2.086 20 30 EEEDLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](Cc1cc(C#N)cs1)C2 ZINC000342825247 161093741 /nfs/dbraw/zinc/09/37/41/161093741.db2.gz QOECXACEPSKJEY-UHFFFAOYSA-N 1 2 347.465 2.086 20 30 EEEDLO COCc1noc([C@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344078064 161196688 /nfs/dbraw/zinc/19/66/88/161196688.db2.gz XVGTXTFWLIZASU-ZDUSSCGKSA-N 1 2 330.388 2.297 20 30 EEEDLO COCc1noc([C@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344078064 161196689 /nfs/dbraw/zinc/19/66/89/161196689.db2.gz XVGTXTFWLIZASU-ZDUSSCGKSA-N 1 2 330.388 2.297 20 30 EEEDLO CCN(CCNc1snc(C)c1C#N)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001106967744 782019002 /nfs/dbraw/zinc/01/90/02/782019002.db2.gz XWUVYDSFUBTPRL-LLVKDONJSA-N 1 2 346.460 2.186 20 30 EEEDLO CCN(CCNc1snc(C)c1C#N)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001106967744 782019008 /nfs/dbraw/zinc/01/90/08/782019008.db2.gz XWUVYDSFUBTPRL-LLVKDONJSA-N 1 2 346.460 2.186 20 30 EEEDLO Cc1c(C#N)cccc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376583034 167355084 /nfs/dbraw/zinc/35/50/84/167355084.db2.gz FBOQMAWFIFMHHW-CJNGLKHVSA-N 1 2 328.416 2.194 20 30 EEEDLO CCC[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC000297012872 270018482 /nfs/dbraw/zinc/01/84/82/270018482.db2.gz VTCQOHAHBVNYHT-SFHVURJKSA-N 1 2 344.459 2.201 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1C#N ZINC000534469481 270022899 /nfs/dbraw/zinc/02/28/99/270022899.db2.gz CLUHVBSUJNKEQY-JKSUJKDBSA-N 1 2 332.425 2.051 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1C#N ZINC000534469481 270022900 /nfs/dbraw/zinc/02/29/00/270022900.db2.gz CLUHVBSUJNKEQY-JKSUJKDBSA-N 1 2 332.425 2.051 20 30 EEEDLO CCN1CCN(C(=O)Nc2ccc(F)cc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000330357554 266147777 /nfs/dbraw/zinc/14/77/77/266147777.db2.gz SXQXZZYKDOGGTF-HNNXBMFYSA-N 1 2 342.378 2.331 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(C(F)(F)F)cnc1C#N ZINC000334028075 267091535 /nfs/dbraw/zinc/09/15/35/267091535.db2.gz IWYJQWJMZGSZDW-YPMHNXCESA-N 1 2 340.349 2.271 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000416773281 267166718 /nfs/dbraw/zinc/16/67/18/267166718.db2.gz JOKBQTZEDQRUQK-UHFFFAOYSA-N 1 2 346.431 2.189 20 30 EEEDLO Cc1cc(C#N)cc(NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000333664293 267304450 /nfs/dbraw/zinc/30/44/50/267304450.db2.gz MPSFZEFQSQTYSA-MRXNPFEDSA-N 1 2 338.415 2.121 20 30 EEEDLO Cc1nc(N2CCN(c3cc(C(F)(F)F)cnc3C#N)CC2)cc[nH+]1 ZINC000413233973 268088921 /nfs/dbraw/zinc/08/89/21/268088921.db2.gz OMKOXKKWQUWKKB-UHFFFAOYSA-N 1 2 348.332 2.397 20 30 EEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000528394527 268296359 /nfs/dbraw/zinc/29/63/59/268296359.db2.gz LEOAKBLCPSSYAA-OALUTQOASA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000528394527 268296361 /nfs/dbraw/zinc/29/63/61/268296361.db2.gz LEOAKBLCPSSYAA-OALUTQOASA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCO[C@@H]4CCC[C@H]43)C2=O)cc1 ZINC000279052071 269258989 /nfs/dbraw/zinc/25/89/89/269258989.db2.gz AFWBPJGZDRLIFW-FGTMMUONSA-N 1 2 325.412 2.307 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCO[C@@H]4CCC[C@H]43)C2=O)cc1 ZINC000279052071 269258990 /nfs/dbraw/zinc/25/89/90/269258990.db2.gz AFWBPJGZDRLIFW-FGTMMUONSA-N 1 2 325.412 2.307 20 30 EEEDLO C[N@@H+]1CCc2ncnc(N3CCCN(c4ccccc4C#N)CC3)c2C1 ZINC000065467419 277189473 /nfs/dbraw/zinc/18/94/73/277189473.db2.gz GYZKZCJAIIUNKY-UHFFFAOYSA-N 1 2 348.454 2.053 20 30 EEEDLO C[N@H+]1CCc2ncnc(N3CCCN(c4ccccc4C#N)CC3)c2C1 ZINC000065467419 277189474 /nfs/dbraw/zinc/18/94/74/277189474.db2.gz GYZKZCJAIIUNKY-UHFFFAOYSA-N 1 2 348.454 2.053 20 30 EEEDLO CCN1CCN(c2cc(C#N)ccc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000359991947 279373325 /nfs/dbraw/zinc/37/33/25/279373325.db2.gz IWKYCVYLKMGVLV-OAHLLOKOSA-N 1 2 326.360 2.073 20 30 EEEDLO COC[C@](C)(C#N)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000541723838 448688398 /nfs/dbraw/zinc/68/83/98/448688398.db2.gz GGJCKPHBRSJRNZ-SFHVURJKSA-N 1 2 339.399 2.056 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)c2[nH]ncc2F)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001087715754 782116001 /nfs/dbraw/zinc/11/60/01/782116001.db2.gz AGWZIKAOERUILC-JKSUJKDBSA-N 1 2 341.390 2.203 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)c2[nH]ncc2F)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087715754 782116005 /nfs/dbraw/zinc/11/60/05/782116005.db2.gz AGWZIKAOERUILC-JKSUJKDBSA-N 1 2 341.390 2.203 20 30 EEEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CCCC3=O)C2)sc1C ZINC000328875140 465153600 /nfs/dbraw/zinc/15/36/00/465153600.db2.gz JPRJHPMMMJCMNY-WCQYABFASA-N 1 2 336.461 2.433 20 30 EEEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](N3CCCC3=O)C2)sc1C ZINC000328875140 465153602 /nfs/dbraw/zinc/15/36/02/465153602.db2.gz JPRJHPMMMJCMNY-WCQYABFASA-N 1 2 336.461 2.433 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)C1=O ZINC000337174960 465228645 /nfs/dbraw/zinc/22/86/45/465228645.db2.gz HMYBJLHLGCFYNU-AOIWGVFYSA-N 1 2 327.472 2.368 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)C1=O ZINC000337174960 465228650 /nfs/dbraw/zinc/22/86/50/465228650.db2.gz HMYBJLHLGCFYNU-AOIWGVFYSA-N 1 2 327.472 2.368 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000337232881 465257753 /nfs/dbraw/zinc/25/77/53/465257753.db2.gz VYCIUYPJLXPKAD-SMDDNHRTSA-N 1 2 341.814 2.110 20 30 EEEDLO C=CC[C@H](CO)CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000341760162 465259011 /nfs/dbraw/zinc/25/90/11/465259011.db2.gz BPCDSVDMLAGAAB-HNNXBMFYSA-N 1 2 344.415 2.268 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@]2(C)CCCO2)CCC(=O)N1C1CC1 ZINC000329191165 465262555 /nfs/dbraw/zinc/26/25/55/465262555.db2.gz QJIBCWRRSLIJRB-QBIMZIAESA-N 1 2 346.431 2.140 20 30 EEEDLO COCC1(C#N)CC[NH+](Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000341971759 465280038 /nfs/dbraw/zinc/28/00/38/465280038.db2.gz FJBWYSYMOSBXJL-UHFFFAOYSA-N 1 2 325.416 2.234 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2cc(C)ccc2OC)CC1 ZINC000341988295 465282241 /nfs/dbraw/zinc/28/22/41/465282241.db2.gz IKKFRFPLPLZBRB-UHFFFAOYSA-N 1 2 331.416 2.194 20 30 EEEDLO COCC1(C#N)CC[NH+](CCCS(=O)(=O)c2ccccc2)CC1 ZINC000341994105 465282945 /nfs/dbraw/zinc/28/29/45/465282945.db2.gz RYVZMTBINNZFFK-UHFFFAOYSA-N 1 2 336.457 2.103 20 30 EEEDLO Cc1noc([C@@H]2CCCCN2C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000329601349 465383409 /nfs/dbraw/zinc/38/34/09/465383409.db2.gz FDPDQVGLSYADRR-RISCZKNCSA-N 1 2 330.392 2.100 20 30 EEEDLO Cc1noc([C@@H]2CCCCN2C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000329601349 465383414 /nfs/dbraw/zinc/38/34/14/465383414.db2.gz FDPDQVGLSYADRR-RISCZKNCSA-N 1 2 330.392 2.100 20 30 EEEDLO Cc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c2c1CCC2 ZINC000590627496 468291925 /nfs/dbraw/zinc/29/19/25/468291925.db2.gz ZXDXBUGNFWUOSK-UHFFFAOYSA-N 1 2 341.455 2.172 20 30 EEEDLO N#Cc1ccccc1NC(=O)CCN1CC[NH+](Cc2ccco2)CC1 ZINC000045696809 462608637 /nfs/dbraw/zinc/60/86/37/462608637.db2.gz ZMYKNVKDOPIFJH-UHFFFAOYSA-N 1 2 338.411 2.298 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000088777452 462645999 /nfs/dbraw/zinc/64/59/99/462645999.db2.gz TWEHMGLSEFZWBH-CQSZACIVSA-N 1 2 330.413 2.158 20 30 EEEDLO Cc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000153648617 462674827 /nfs/dbraw/zinc/67/48/27/462674827.db2.gz ORNVOGNICQSLOB-INIZCTEOSA-N 1 2 328.416 2.195 20 30 EEEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc2c(c1)OCO2 ZINC000007640643 462743805 /nfs/dbraw/zinc/74/38/05/462743805.db2.gz JLMPYNGEKYERSU-UHFFFAOYSA-N 1 2 329.381 2.419 20 30 EEEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc2c(c1)OCO2 ZINC000007640643 462743807 /nfs/dbraw/zinc/74/38/07/462743807.db2.gz JLMPYNGEKYERSU-UHFFFAOYSA-N 1 2 329.381 2.419 20 30 EEEDLO CCC(=O)N[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000130504869 462760000 /nfs/dbraw/zinc/76/00/00/462760000.db2.gz TYYSOEAHRLHBBT-AWEZNQCLSA-N 1 2 348.834 2.141 20 30 EEEDLO CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000130504869 462760005 /nfs/dbraw/zinc/76/00/05/462760005.db2.gz TYYSOEAHRLHBBT-AWEZNQCLSA-N 1 2 348.834 2.141 20 30 EEEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N(CC)c2cc[nH+]cc2)c1 ZINC000132399776 462854460 /nfs/dbraw/zinc/85/44/60/462854460.db2.gz PUIUTXNOUGFCDA-UHFFFAOYSA-N 1 2 345.424 2.213 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCOc1ccccc1F ZINC000155673014 462927119 /nfs/dbraw/zinc/92/71/19/462927119.db2.gz FOBKZSNNMFLTLW-AWEZNQCLSA-N 1 2 341.390 2.077 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCOc1ccccc1F ZINC000155673014 462927122 /nfs/dbraw/zinc/92/71/22/462927122.db2.gz FOBKZSNNMFLTLW-AWEZNQCLSA-N 1 2 341.390 2.077 20 30 EEEDLO CNC(=O)c1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000066870393 462938910 /nfs/dbraw/zinc/93/89/10/462938910.db2.gz PTIUIBYKVQDUGQ-UHFFFAOYSA-N 1 2 348.450 2.236 20 30 EEEDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c2[nH+]ccn21 ZINC000590763365 468331664 /nfs/dbraw/zinc/33/16/64/468331664.db2.gz NQUZVEANKYNGQN-NOZJJQNGSA-N 1 2 336.804 2.392 20 30 EEEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000134366642 463029889 /nfs/dbraw/zinc/02/98/89/463029889.db2.gz BRWVWGLAEQDVHS-INIZCTEOSA-N 1 2 340.876 2.094 20 30 EEEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000134366642 463029896 /nfs/dbraw/zinc/02/98/96/463029896.db2.gz BRWVWGLAEQDVHS-INIZCTEOSA-N 1 2 340.876 2.094 20 30 EEEDLO CC(C)[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000120767201 463036376 /nfs/dbraw/zinc/03/63/76/463036376.db2.gz VSPKLGVMFGYODK-AWEZNQCLSA-N 1 2 340.362 2.332 20 30 EEEDLO CCc1ccc([C@@H](C)C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000068124551 463096373 /nfs/dbraw/zinc/09/63/73/463096373.db2.gz QCXYFMRHQLNIEA-QGZVFWFLSA-N 1 2 343.471 2.427 20 30 EEEDLO N#Cc1cccc(/C=C\C(=O)N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000491262080 468336656 /nfs/dbraw/zinc/33/66/56/468336656.db2.gz KTSYKJDWKVZRBA-SREVYHEPSA-N 1 2 332.407 2.311 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000078386618 463112622 /nfs/dbraw/zinc/11/26/22/463112622.db2.gz SZNLVNPJCWMZRO-GOSISDBHSA-N 1 2 339.443 2.037 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1 ZINC000068261496 463112799 /nfs/dbraw/zinc/11/27/99/463112799.db2.gz ITKSZSZHXCKVSV-UHFFFAOYSA-N 1 2 328.803 2.498 20 30 EEEDLO C#CCN(C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1)C1CC1 ZINC000491277865 468340198 /nfs/dbraw/zinc/34/01/98/468340198.db2.gz QROODQIDUGZBTA-LJQANCHMSA-N 1 2 341.455 2.176 20 30 EEEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158158480 463209933 /nfs/dbraw/zinc/20/99/33/463209933.db2.gz OUANKCWHKJYSKO-CHWSQXEVSA-N 1 2 331.416 2.048 20 30 EEEDLO Cc1nc(C(=O)N2CC[NH+](Cc3cccs3)CC2)ccc1C#N ZINC000028867140 463235921 /nfs/dbraw/zinc/23/59/21/463235921.db2.gz JNKBJTSJDDMMGS-UHFFFAOYSA-N 1 2 326.425 2.281 20 30 EEEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccc(F)cc3)oc2=S)CC1 ZINC000029436350 463256926 /nfs/dbraw/zinc/25/69/26/463256926.db2.gz ACPZKUZOEYGZTH-UHFFFAOYSA-N 1 2 332.404 2.220 20 30 EEEDLO Cc1ccc(NC(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000029443824 463257709 /nfs/dbraw/zinc/25/77/09/463257709.db2.gz BICQYHWQCYPVMX-UHFFFAOYSA-N 1 2 335.411 2.022 20 30 EEEDLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000139053049 463316945 /nfs/dbraw/zinc/31/69/45/463316945.db2.gz YTAXWSHZBPMAMY-TZMCWYRMSA-N 1 2 347.415 2.370 20 30 EEEDLO CCOC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000139053049 463316950 /nfs/dbraw/zinc/31/69/50/463316950.db2.gz YTAXWSHZBPMAMY-TZMCWYRMSA-N 1 2 347.415 2.370 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ncc(-c2cccs2)o1 ZINC000081158488 463399790 /nfs/dbraw/zinc/39/97/90/463399790.db2.gz PHEHZFYBOMMZME-UHFFFAOYSA-N 1 2 346.456 2.451 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161660328 463446805 /nfs/dbraw/zinc/44/68/05/463446805.db2.gz RYJXMCBHHAZSOX-OSAQELSMSA-N 1 2 349.397 2.065 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000083423090 463547031 /nfs/dbraw/zinc/54/70/31/463547031.db2.gz LNLKAKREAVJJKO-UHFFFAOYSA-N 1 2 333.819 2.441 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000083423090 463547034 /nfs/dbraw/zinc/54/70/34/463547034.db2.gz LNLKAKREAVJJKO-UHFFFAOYSA-N 1 2 333.819 2.441 20 30 EEEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000058217071 463555019 /nfs/dbraw/zinc/55/50/19/463555019.db2.gz LLKLXILADHJPHY-UHFFFAOYSA-N 1 2 341.415 2.003 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000042331739 463556471 /nfs/dbraw/zinc/55/64/71/463556471.db2.gz OPJPPRWNAFPNSL-QGZVFWFLSA-N 1 2 341.455 2.034 20 30 EEEDLO CCC[C@@H](C)NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354521 463559687 /nfs/dbraw/zinc/55/96/87/463559687.db2.gz YZGUAMRWLVDODW-IAGOWNOFSA-N 1 2 342.487 2.369 20 30 EEEDLO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000042354521 463559690 /nfs/dbraw/zinc/55/96/90/463559690.db2.gz YZGUAMRWLVDODW-IAGOWNOFSA-N 1 2 342.487 2.369 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000073606506 463631831 /nfs/dbraw/zinc/63/18/31/463631831.db2.gz YSQJAQLFGUNIFJ-CQSZACIVSA-N 1 2 333.407 2.285 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000073606506 463631837 /nfs/dbraw/zinc/63/18/37/463631837.db2.gz YSQJAQLFGUNIFJ-CQSZACIVSA-N 1 2 333.407 2.285 20 30 EEEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152446412 463691811 /nfs/dbraw/zinc/69/18/11/463691811.db2.gz NQQYNJPRUCSMTF-HOCLYGCPSA-N 1 2 336.395 2.116 20 30 EEEDLO C#CC[N@@H+](CCCOc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000112697762 463706009 /nfs/dbraw/zinc/70/60/09/463706009.db2.gz KNVJCWNXWNNQGC-QGZVFWFLSA-N 1 2 335.469 2.195 20 30 EEEDLO C#CC[N@H+](CCCOc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000112697762 463706010 /nfs/dbraw/zinc/70/60/10/463706010.db2.gz KNVJCWNXWNNQGC-QGZVFWFLSA-N 1 2 335.469 2.195 20 30 EEEDLO N#CCCN(C/C=C\c1ccccc1[N+](=O)[O-])CC[NH+]1CCOCC1 ZINC000255902016 463752959 /nfs/dbraw/zinc/75/29/59/463752959.db2.gz UOBHBWSOHNUNOO-UTCJRWHESA-N 1 2 344.415 2.156 20 30 EEEDLO C#CC[NH+]1CCN(Cn2nc(Cc3cccs3)oc2=S)CC1 ZINC000171038605 463767105 /nfs/dbraw/zinc/76/71/05/463767105.db2.gz BDSWOOHUCUSUAX-UHFFFAOYSA-N 1 2 334.470 2.066 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177719884 463775479 /nfs/dbraw/zinc/77/54/79/463775479.db2.gz LNNGQEHADJGOJG-UHFFFAOYSA-N 1 2 339.395 2.317 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177719884 463775484 /nfs/dbraw/zinc/77/54/84/463775484.db2.gz LNNGQEHADJGOJG-UHFFFAOYSA-N 1 2 339.395 2.317 20 30 EEEDLO C#CCOc1cccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000287045220 463781663 /nfs/dbraw/zinc/78/16/63/463781663.db2.gz PSNFAIAMZUOUIO-DOTOQJQBSA-N 1 2 343.427 2.026 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278362176 463962936 /nfs/dbraw/zinc/96/29/36/463962936.db2.gz RPHCSHGNJNIQST-GOSISDBHSA-N 1 2 348.422 2.118 20 30 EEEDLO Cc1cc(N2CCN(C(=O)CC(C)(C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC000278887318 464007346 /nfs/dbraw/zinc/00/73/46/464007346.db2.gz XBJKJANJNKTHJH-UHFFFAOYSA-N 1 2 329.448 2.497 20 30 EEEDLO CC[C@@H](c1ccncc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290127354 464108770 /nfs/dbraw/zinc/10/87/70/464108770.db2.gz ZGHBGSYLUYDNDS-INIZCTEOSA-N 1 2 344.440 2.205 20 30 EEEDLO CC[C@@H](c1ccncc1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290127354 464108774 /nfs/dbraw/zinc/10/87/74/464108774.db2.gz ZGHBGSYLUYDNDS-INIZCTEOSA-N 1 2 344.440 2.205 20 30 EEEDLO CO[C@](C)(C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000290969962 464139009 /nfs/dbraw/zinc/13/90/09/464139009.db2.gz OOTWBYSHPLLMPQ-IBGZPJMESA-N 1 2 327.428 2.018 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)Nc2ccc(OC)cc2)n1 ZINC000279749301 464141908 /nfs/dbraw/zinc/14/19/08/464141908.db2.gz QACGICXFJSEVBX-OAHLLOKOSA-N 1 2 340.427 2.374 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)Nc2ccc(OC)cc2)n1 ZINC000279749301 464141914 /nfs/dbraw/zinc/14/19/14/464141914.db2.gz QACGICXFJSEVBX-OAHLLOKOSA-N 1 2 340.427 2.374 20 30 EEEDLO Cc1nc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)ccc1C#N ZINC000291708696 464158830 /nfs/dbraw/zinc/15/88/30/464158830.db2.gz VGXQDIUFLMJRFM-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO NC(=[NH+]OCC(=O)Nc1ccc(N2CCCCC2)cc1)[C@H]1CCCO1 ZINC000284451072 464197268 /nfs/dbraw/zinc/19/72/68/464197268.db2.gz PYVVOJGAWKJKFC-MRXNPFEDSA-N 1 2 346.431 2.083 20 30 EEEDLO C=C(C)C[NH+]1CCC(NC(=O)C2=NN(c3ccccc3)CC2=O)CC1 ZINC000173161254 464199631 /nfs/dbraw/zinc/19/96/31/464199631.db2.gz VVZXEYWNPUDEOF-UHFFFAOYSA-N 1 2 340.427 2.348 20 30 EEEDLO CCc1ccc([C@H](C)NC(=O)[C@H](C)O[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000284462865 464201410 /nfs/dbraw/zinc/20/14/10/464201410.db2.gz QVSDNUOYVBUXGY-HEHGZKQESA-N 1 2 333.432 2.283 20 30 EEEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000180019931 464225843 /nfs/dbraw/zinc/22/58/43/464225843.db2.gz VZFZTFNSHRZHRT-AWEZNQCLSA-N 1 2 346.431 2.210 20 30 EEEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000180019931 464225849 /nfs/dbraw/zinc/22/58/49/464225849.db2.gz VZFZTFNSHRZHRT-AWEZNQCLSA-N 1 2 346.431 2.210 20 30 EEEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(CCC#N)CCC#N ZINC000280683977 464229198 /nfs/dbraw/zinc/22/91/98/464229198.db2.gz VEEBMWHZDFHFMG-UHFFFAOYSA-N 1 2 331.326 2.279 20 30 EEEDLO C=CCn1c(SCC[N@@H+]2CCO[C@H](C)C2)nnc1-c1ccncc1 ZINC000188229020 464230051 /nfs/dbraw/zinc/23/00/51/464230051.db2.gz AIJRNJHALPYRDE-CQSZACIVSA-N 1 2 345.472 2.339 20 30 EEEDLO C=CCn1c(SCC[N@H+]2CCO[C@H](C)C2)nnc1-c1ccncc1 ZINC000188229020 464230057 /nfs/dbraw/zinc/23/00/57/464230057.db2.gz AIJRNJHALPYRDE-CQSZACIVSA-N 1 2 345.472 2.339 20 30 EEEDLO N#Cc1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1O ZINC000188250659 464236051 /nfs/dbraw/zinc/23/60/51/464236051.db2.gz QLCHTYDAHGKSHV-UHFFFAOYSA-N 1 2 346.390 2.481 20 30 EEEDLO C=CCN(C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)C1CC1 ZINC000271394615 464298063 /nfs/dbraw/zinc/29/80/63/464298063.db2.gz KKIFXVOUTAHMRT-AWEZNQCLSA-N 1 2 330.432 2.167 20 30 EEEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCSC[C@H]1C#N ZINC000281049722 464313296 /nfs/dbraw/zinc/31/32/96/464313296.db2.gz BICSKGZZGXKPPN-SNVBAGLBSA-N 1 2 336.367 2.091 20 30 EEEDLO C=CCOc1cccc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000284790988 464341818 /nfs/dbraw/zinc/34/18/18/464341818.db2.gz LLFPEUNTAMBEKI-DLBZAZTESA-N 1 2 331.416 2.188 20 30 EEEDLO C=CCOc1cccc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000284790988 464341824 /nfs/dbraw/zinc/34/18/24/464341824.db2.gz LLFPEUNTAMBEKI-DLBZAZTESA-N 1 2 331.416 2.188 20 30 EEEDLO COc1cccc(C(N)=[NH+]OCC(=O)N[C@@H](C)c2cccs2)c1 ZINC000174212122 464378561 /nfs/dbraw/zinc/37/85/61/464378561.db2.gz CNHHHALMUXNNPY-NSHDSACASA-N 1 2 333.413 2.271 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2)C1=O ZINC000281253843 464387599 /nfs/dbraw/zinc/38/75/99/464387599.db2.gz GZJLOAGFKCLGFY-DOMZBBRYSA-N 1 2 335.835 2.386 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2)C1=O ZINC000281253843 464387602 /nfs/dbraw/zinc/38/76/02/464387602.db2.gz GZJLOAGFKCLGFY-DOMZBBRYSA-N 1 2 335.835 2.386 20 30 EEEDLO C[C@@H](C(=O)NCC(C)(C)C#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000359645447 465476207 /nfs/dbraw/zinc/47/62/07/465476207.db2.gz HGNSMNJAEAROBQ-AWEZNQCLSA-N 1 2 332.423 2.002 20 30 EEEDLO CC[C@@H](C)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC(=O)OC(C)(C)C ZINC000246207903 464558948 /nfs/dbraw/zinc/55/89/48/464558948.db2.gz CAOXILSSSDSMPL-FZKQIMNGSA-N 1 2 337.464 2.237 20 30 EEEDLO CC[C@@H](C)[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC(=O)OC(C)(C)C ZINC000246207903 464558955 /nfs/dbraw/zinc/55/89/55/464558955.db2.gz CAOXILSSSDSMPL-FZKQIMNGSA-N 1 2 337.464 2.237 20 30 EEEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)s1 ZINC000175728508 464610954 /nfs/dbraw/zinc/61/09/54/464610954.db2.gz SYPHNFHYZZGLGK-UHFFFAOYSA-N 1 2 328.441 2.468 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2ccn(-c3ccc(F)cc3C)n2)CC1 ZINC000272953532 464696206 /nfs/dbraw/zinc/69/62/06/464696206.db2.gz OOJPRPAWMBYETR-UHFFFAOYSA-N 1 2 340.402 2.101 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1nncn1C ZINC000274057218 464733394 /nfs/dbraw/zinc/73/33/94/464733394.db2.gz QAKIJNJZNDKPME-GFCCVEGCSA-N 1 2 331.445 2.383 20 30 EEEDLO CCc1cnc(CNC(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000329977160 465494015 /nfs/dbraw/zinc/49/40/15/465494015.db2.gz ZITTUIZJKQVXRR-CYBMUJFWSA-N 1 2 348.476 2.221 20 30 EEEDLO CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1cnn(C)c1 ZINC000177094251 464927982 /nfs/dbraw/zinc/92/79/82/464927982.db2.gz PVOWJZVIPCABRB-UHFFFAOYSA-N 1 2 331.445 2.431 20 30 EEEDLO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1cnn(C)c1 ZINC000177094251 464927984 /nfs/dbraw/zinc/92/79/84/464927984.db2.gz PVOWJZVIPCABRB-UHFFFAOYSA-N 1 2 331.445 2.431 20 30 EEEDLO C=CCn1c(N2CC[NH+](Cc3cc(C)no3)CC2)nnc1C(C)(C)C ZINC000282740936 464929072 /nfs/dbraw/zinc/92/90/72/464929072.db2.gz XYHQYYUYSCVSBU-UHFFFAOYSA-N 1 2 344.463 2.380 20 30 EEEDLO COC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000251854945 464942665 /nfs/dbraw/zinc/94/26/65/464942665.db2.gz NUOOQZNMLBMMSV-JZXOWHBKSA-N 1 2 345.443 2.057 20 30 EEEDLO COC[C@@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000251854945 464942672 /nfs/dbraw/zinc/94/26/72/464942672.db2.gz NUOOQZNMLBMMSV-JZXOWHBKSA-N 1 2 345.443 2.057 20 30 EEEDLO C=CCOc1cccc(C[NH+]2CCN([C@H](C)C(=O)NC3CC3)CC2)c1 ZINC000192609575 464956993 /nfs/dbraw/zinc/95/69/93/464956993.db2.gz DPRQABZOOJPQPI-MRXNPFEDSA-N 1 2 343.471 2.036 20 30 EEEDLO C=CCOc1cccc(CN2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)c1 ZINC000192609575 464957001 /nfs/dbraw/zinc/95/70/01/464957001.db2.gz DPRQABZOOJPQPI-MRXNPFEDSA-N 1 2 343.471 2.036 20 30 EEEDLO Cc1ccc(C#N)c(N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2ccnn2C)n1 ZINC000286696652 465009062 /nfs/dbraw/zinc/00/90/62/465009062.db2.gz OEXPGGATMVAHCF-RDJZCZTQSA-N 1 2 342.422 2.044 20 30 EEEDLO Cc1ccc(C#N)c(N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2ccnn2C)n1 ZINC000286696652 465009068 /nfs/dbraw/zinc/00/90/68/465009068.db2.gz OEXPGGATMVAHCF-RDJZCZTQSA-N 1 2 342.422 2.044 20 30 EEEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1)NC1(c2ccccc2)CCC1 ZINC000329470662 465343829 /nfs/dbraw/zinc/34/38/29/465343829.db2.gz YYVHWTKJPLNYBM-CQSZACIVSA-N 1 2 342.399 2.099 20 30 EEEDLO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000329569440 465374624 /nfs/dbraw/zinc/37/46/24/465374624.db2.gz UIEFMQHSUUXCLK-ZDUSSCGKSA-N 1 2 333.413 2.006 20 30 EEEDLO C=C[C@@H](CO)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000359245270 465389216 /nfs/dbraw/zinc/38/92/16/465389216.db2.gz SGYZNLOLEGJGIO-DOTOQJQBSA-N 1 2 328.416 2.087 20 30 EEEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000329747922 465422708 /nfs/dbraw/zinc/42/27/08/465422708.db2.gz SREOHYNFAVGKJQ-CJNGLKHVSA-N 1 2 339.399 2.194 20 30 EEEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000329747922 465422715 /nfs/dbraw/zinc/42/27/15/465422715.db2.gz SREOHYNFAVGKJQ-CJNGLKHVSA-N 1 2 339.399 2.194 20 30 EEEDLO COc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1OCC(=O)N1CCCC1 ZINC000352103051 465474407 /nfs/dbraw/zinc/47/44/07/465474407.db2.gz XMCYTAQROGDCAQ-OAHLLOKOSA-N 1 2 345.443 2.288 20 30 EEEDLO COc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1OCC(=O)N1CCCC1 ZINC000352103051 465474411 /nfs/dbraw/zinc/47/44/11/465474411.db2.gz XMCYTAQROGDCAQ-OAHLLOKOSA-N 1 2 345.443 2.288 20 30 EEEDLO C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CCO1 ZINC000329924767 465475056 /nfs/dbraw/zinc/47/50/56/465475056.db2.gz HVCYHBVFPHBKSU-KBXIAJHMSA-N 1 2 338.427 2.104 20 30 EEEDLO CC(C)n1cc2cc(NC(=O)NC[C@H]3CN(C)CC[N@@H+]3C)ccc2n1 ZINC000330074735 465524995 /nfs/dbraw/zinc/52/49/95/465524995.db2.gz FVJUBDSVJHCUSN-INIZCTEOSA-N 1 2 344.463 2.189 20 30 EEEDLO CC(C)n1cc2cc(NC(=O)NC[C@H]3CN(C)CC[N@H+]3C)ccc2n1 ZINC000330074735 465524998 /nfs/dbraw/zinc/52/49/98/465524998.db2.gz FVJUBDSVJHCUSN-INIZCTEOSA-N 1 2 344.463 2.189 20 30 EEEDLO CC(C)Cn1ncc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)c1C(F)F ZINC000330502822 465686052 /nfs/dbraw/zinc/68/60/52/465686052.db2.gz XRKQGPAIKKFLBC-NSHDSACASA-N 1 2 345.394 2.133 20 30 EEEDLO CC(C)Cn1ncc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1C(F)F ZINC000330502822 465686062 /nfs/dbraw/zinc/68/60/62/465686062.db2.gz XRKQGPAIKKFLBC-NSHDSACASA-N 1 2 345.394 2.133 20 30 EEEDLO CC[N@H+](CC(=O)Nc1cccc(C#N)c1)CC(=O)N1CCCCCC1 ZINC000353210234 465719781 /nfs/dbraw/zinc/71/97/81/465719781.db2.gz PMYSZBCKFUNPTP-UHFFFAOYSA-N 1 2 342.443 2.221 20 30 EEEDLO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)CC(=O)N1CCCCCC1 ZINC000353210234 465719788 /nfs/dbraw/zinc/71/97/88/465719788.db2.gz PMYSZBCKFUNPTP-UHFFFAOYSA-N 1 2 342.443 2.221 20 30 EEEDLO C[C@H](C(=O)N(C)CC(C)(C)C#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000353214154 465721024 /nfs/dbraw/zinc/72/10/24/465721024.db2.gz QVWJBQIOSGEHAI-OAHLLOKOSA-N 1 2 346.450 2.344 20 30 EEEDLO CSCC[C@](C)(C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000344684791 465778173 /nfs/dbraw/zinc/77/81/73/465778173.db2.gz VQVNSHLUHQKFQK-FUHWJXTLSA-N 1 2 347.484 2.039 20 30 EEEDLO CSCC[C@](C)(C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000344684791 465778181 /nfs/dbraw/zinc/77/81/81/465778181.db2.gz VQVNSHLUHQKFQK-FUHWJXTLSA-N 1 2 347.484 2.039 20 30 EEEDLO COCC[C@@](C)(C#N)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000344902686 465799905 /nfs/dbraw/zinc/79/99/05/465799905.db2.gz HJZXBIHHPGGZKM-INIZCTEOSA-N 1 2 336.342 2.058 20 30 EEEDLO CCOC(=O)c1coc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000353364928 465830525 /nfs/dbraw/zinc/83/05/25/465830525.db2.gz SZPOWFPCIZWYQG-UHFFFAOYSA-N 1 2 340.383 2.045 20 30 EEEDLO Cc1cc(C[NH+]2CCN([C@H](C(N)=O)c3ccccc3)CC2)ccc1C#N ZINC000348938669 465882708 /nfs/dbraw/zinc/88/27/08/465882708.db2.gz ZISPMTFHXALJRU-FQEVSTJZSA-N 1 2 348.450 2.211 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000569224526 468459235 /nfs/dbraw/zinc/45/92/35/468459235.db2.gz BFULWFWWIBEIQB-QGZVFWFLSA-N 1 2 346.818 2.498 20 30 EEEDLO C#CCNC(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000301236111 465928262 /nfs/dbraw/zinc/92/82/62/465928262.db2.gz LSHPSTRUVDWTCV-UHFFFAOYSA-N 1 2 331.379 2.242 20 30 EEEDLO CC(C)(C)OC(=O)CN[C@]1(C)CC[N@H+](Cc2ccccc2C#N)C1 ZINC000349186496 466010833 /nfs/dbraw/zinc/01/08/33/466010833.db2.gz JOZSVXGQQCYBFK-LJQANCHMSA-N 1 2 329.444 2.454 20 30 EEEDLO CC(C)(C)OC(=O)CN[C@]1(C)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000349186496 466010841 /nfs/dbraw/zinc/01/08/41/466010841.db2.gz JOZSVXGQQCYBFK-LJQANCHMSA-N 1 2 329.444 2.454 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNc2cccc(F)c2C#N)cn1 ZINC000580144334 468469635 /nfs/dbraw/zinc/46/96/35/468469635.db2.gz KMOUKHVOLFIYCX-KBPBESRZSA-N 1 2 331.370 2.455 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNc2cccc(F)c2C#N)cn1 ZINC000580144334 468469640 /nfs/dbraw/zinc/46/96/40/468469640.db2.gz KMOUKHVOLFIYCX-KBPBESRZSA-N 1 2 331.370 2.455 20 30 EEEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000331423953 466077307 /nfs/dbraw/zinc/07/73/07/466077307.db2.gz IKSHCDUEOPWIEB-HOCLYGCPSA-N 1 2 327.432 2.292 20 30 EEEDLO O=C1CC[C@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CCN12 ZINC000346444023 466100050 /nfs/dbraw/zinc/10/00/50/466100050.db2.gz BAAJQFHIRYWDPS-AWEZNQCLSA-N 1 2 338.329 2.243 20 30 EEEDLO O=C1CC[C@H]2C[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CCN12 ZINC000346444023 466100058 /nfs/dbraw/zinc/10/00/58/466100058.db2.gz BAAJQFHIRYWDPS-AWEZNQCLSA-N 1 2 338.329 2.243 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1nc(-c2ccc(F)cc2)cs1 ZINC000580650250 468480869 /nfs/dbraw/zinc/48/08/69/468480869.db2.gz UZUFYQQDANRGJW-QGZVFWFLSA-N 1 2 346.431 2.452 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338627181 466272090 /nfs/dbraw/zinc/27/20/90/466272090.db2.gz VIQNBERWILHGGW-BBRMVZONSA-N 1 2 326.437 2.058 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338627181 466272097 /nfs/dbraw/zinc/27/20/97/466272097.db2.gz VIQNBERWILHGGW-BBRMVZONSA-N 1 2 326.437 2.058 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338627183 466272335 /nfs/dbraw/zinc/27/23/35/466272335.db2.gz VIQNBERWILHGGW-CZUORRHYSA-N 1 2 326.437 2.058 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@](F)(CO)C1 ZINC000338627183 466272344 /nfs/dbraw/zinc/27/23/44/466272344.db2.gz VIQNBERWILHGGW-CZUORRHYSA-N 1 2 326.437 2.058 20 30 EEEDLO CN1CC[N@H+](C)C[C@@H]1c1noc(C[C@H](CC#N)c2ccccc2)n1 ZINC000350064796 466369859 /nfs/dbraw/zinc/36/98/59/466369859.db2.gz IQWRDDJQQILVEW-JKSUJKDBSA-N 1 2 325.416 2.228 20 30 EEEDLO CN1CC[N@@H+](C)C[C@@H]1c1noc(C[C@H](CC#N)c2ccccc2)n1 ZINC000350064796 466369865 /nfs/dbraw/zinc/36/98/65/466369865.db2.gz IQWRDDJQQILVEW-JKSUJKDBSA-N 1 2 325.416 2.228 20 30 EEEDLO Cc1nc(SCC(=O)N2CCn3cc[nH+]c3C2)c(C#N)c(C)c1C ZINC000332570052 466545084 /nfs/dbraw/zinc/54/50/84/466545084.db2.gz WBMKSJFMVNVHMD-UHFFFAOYSA-N 1 2 341.440 2.210 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)NCC2CCC(C#N)CC2)CCO1 ZINC000333057892 466602852 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468103591 /nfs/dbraw/zinc/10/35/91/468103591.db2.gz ZFRVAGPRZBNVHY-KRWDZBQOSA-N 1 2 342.443 2.145 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1csc(Cc2ccccc2F)n1 ZINC000565484305 468132206 /nfs/dbraw/zinc/13/22/06/468132206.db2.gz MQWZNLPOGFLSMB-KRWDZBQOSA-N 1 2 346.431 2.447 20 30 EEEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](n3ccnn3)C2)c(C#N)c1C ZINC000569716854 468534042 /nfs/dbraw/zinc/53/40/42/468534042.db2.gz ZYKHMOZNNGMVJM-ZDUSSCGKSA-N 1 2 344.444 2.104 20 30 EEEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](n3ccnn3)C2)c(C#N)c1C ZINC000569716854 468534044 /nfs/dbraw/zinc/53/40/44/468534044.db2.gz ZYKHMOZNNGMVJM-ZDUSSCGKSA-N 1 2 344.444 2.104 20 30 EEEDLO CCc1nc2ccccc2c(SC[C@H](O)C[N@H+](C)CCC#N)n1 ZINC000594570716 468623928 /nfs/dbraw/zinc/62/39/28/468623928.db2.gz XYQNHVFYXRBRPD-CYBMUJFWSA-N 1 2 330.457 2.491 20 30 EEEDLO CCc1nc2ccccc2c(SC[C@H](O)C[N@@H+](C)CCC#N)n1 ZINC000594570716 468623931 /nfs/dbraw/zinc/62/39/31/468623931.db2.gz XYQNHVFYXRBRPD-CYBMUJFWSA-N 1 2 330.457 2.491 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+]([C@@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000592145913 468637295 /nfs/dbraw/zinc/63/72/95/468637295.db2.gz BFOLXHDMFCPVIX-TZIWHRDSSA-N 1 2 349.434 2.395 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+]([C@@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000592145913 468637298 /nfs/dbraw/zinc/63/72/98/468637298.db2.gz BFOLXHDMFCPVIX-TZIWHRDSSA-N 1 2 349.434 2.395 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146426 468637370 /nfs/dbraw/zinc/63/73/70/468637370.db2.gz HQPDZPPFGNUEHQ-ABAIWWIYSA-N 1 2 341.333 2.383 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146426 468637375 /nfs/dbraw/zinc/63/73/75/468637375.db2.gz HQPDZPPFGNUEHQ-ABAIWWIYSA-N 1 2 341.333 2.383 20 30 EEEDLO N#Cc1cnn2cc(C[N@@H+]3CCO[C@@H](c4ccc(F)cc4)C3)cnc12 ZINC000592497989 468711690 /nfs/dbraw/zinc/71/16/90/468711690.db2.gz RDYZICXMUGTLLE-QGZVFWFLSA-N 1 2 337.358 2.314 20 30 EEEDLO N#Cc1cnn2cc(C[N@H+]3CCO[C@@H](c4ccc(F)cc4)C3)cnc12 ZINC000592497989 468711695 /nfs/dbraw/zinc/71/16/95/468711695.db2.gz RDYZICXMUGTLLE-QGZVFWFLSA-N 1 2 337.358 2.314 20 30 EEEDLO COc1c(Br)cccc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592523319 468720073 /nfs/dbraw/zinc/72/00/73/468720073.db2.gz YFOABQRMANISOH-CQSZACIVSA-N 1 2 325.206 2.308 20 30 EEEDLO COc1c(Br)cccc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592523319 468720077 /nfs/dbraw/zinc/72/00/77/468720077.db2.gz YFOABQRMANISOH-CQSZACIVSA-N 1 2 325.206 2.308 20 30 EEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CSCc1ccc(C#N)cc1 ZINC000598000971 468736640 /nfs/dbraw/zinc/73/66/40/468736640.db2.gz WONQRVXOKURUCO-CABCVRRESA-N 1 2 347.484 2.017 20 30 EEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CSCc1ccc(C#N)cc1 ZINC000598000971 468736644 /nfs/dbraw/zinc/73/66/44/468736644.db2.gz WONQRVXOKURUCO-CABCVRRESA-N 1 2 347.484 2.017 20 30 EEEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@@H]1C ZINC000601383072 468850776 /nfs/dbraw/zinc/85/07/76/468850776.db2.gz KROMAGNSIAKEQE-QWHCGFSZSA-N 1 2 339.436 2.109 20 30 EEEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@@H]1C ZINC000601383072 468850780 /nfs/dbraw/zinc/85/07/80/468850780.db2.gz KROMAGNSIAKEQE-QWHCGFSZSA-N 1 2 339.436 2.109 20 30 EEEDLO C[C@H](CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000610473534 468976919 /nfs/dbraw/zinc/97/69/19/468976919.db2.gz AKMOFHZFVYAKCW-CRAIPNDOSA-N 1 2 337.427 2.176 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc(Br)cc1F ZINC000598837601 469019914 /nfs/dbraw/zinc/01/99/14/469019914.db2.gz XDJFPLWPFDGVJJ-CQSZACIVSA-N 1 2 342.212 2.091 20 30 EEEDLO CC[C@H](C#N)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000593536015 469023209 /nfs/dbraw/zinc/02/32/09/469023209.db2.gz UOVDYRVXMAUKDL-CQSZACIVSA-N 1 2 334.851 2.128 20 30 EEEDLO N#CCC1(C[NH+]2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000602802785 469086108 /nfs/dbraw/zinc/08/61/08/469086108.db2.gz UPTQLABGXFKEHM-INIZCTEOSA-N 1 2 346.862 2.178 20 30 EEEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000614924900 469096199 /nfs/dbraw/zinc/09/61/99/469096199.db2.gz OVTHMLQMFGDFOZ-UONOGXRCSA-N 1 2 335.370 2.084 20 30 EEEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000614924900 469096204 /nfs/dbraw/zinc/09/62/04/469096204.db2.gz OVTHMLQMFGDFOZ-UONOGXRCSA-N 1 2 335.370 2.084 20 30 EEEDLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCN(CCC#N)CC2)cc1 ZINC000611173944 469180008 /nfs/dbraw/zinc/18/00/08/469180008.db2.gz STELSFOHRIKUCN-DLBZAZTESA-N 1 2 342.487 2.346 20 30 EEEDLO Cc1cc(N2CCC[C@H]([NH+]3CCOCC3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000596248382 469220735 /nfs/dbraw/zinc/22/07/35/469220735.db2.gz WOZPZAZJWPXPOE-HNNXBMFYSA-N 1 2 330.388 2.076 20 30 EEEDLO Cc1[nH+]c(NCC(C)(C)CC#N)nc(NCC(C)(C)CC#N)c1F ZINC000596263126 469226292 /nfs/dbraw/zinc/22/62/92/469226292.db2.gz BTSNXSUBKVVAPB-UHFFFAOYSA-N 1 2 332.427 2.471 20 30 EEEDLO N#Cc1ccsc1C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000602199227 469238645 /nfs/dbraw/zinc/23/86/45/469238645.db2.gz OEKRSFWKJCTWRF-UHFFFAOYSA-N 1 2 326.425 2.015 20 30 EEEDLO CCCOc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1OCC ZINC000563583245 469241636 /nfs/dbraw/zinc/24/16/36/469241636.db2.gz DOTKKWVJPLIOMU-SFHVURJKSA-N 1 2 333.432 2.448 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccn(C(F)F)n3)CC2)cc1 ZINC000611410279 469243179 /nfs/dbraw/zinc/24/31/79/469243179.db2.gz MIMBMCWYRUIXLI-UHFFFAOYSA-N 1 2 345.353 2.108 20 30 EEEDLO N#C[C@@]1(F)CCN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000615535720 469258321 /nfs/dbraw/zinc/25/83/21/469258321.db2.gz XZSFEPSYVBQFSP-KRWDZBQOSA-N 1 2 331.395 2.219 20 30 EEEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1CCOc1ccc(C#N)cc1 ZINC000599446090 469261552 /nfs/dbraw/zinc/26/15/52/469261552.db2.gz ZOTXCQFCWHGXGX-LJQANCHMSA-N 1 2 348.410 2.041 20 30 EEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1nc(C(F)(F)F)ccc1C#N ZINC000596428794 469263484 /nfs/dbraw/zinc/26/34/84/469263484.db2.gz HYGBFYNQVTVGLT-MNOVXSKESA-N 1 2 328.338 2.493 20 30 EEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1nc(C(F)(F)F)ccc1C#N ZINC000596428794 469263491 /nfs/dbraw/zinc/26/34/91/469263491.db2.gz HYGBFYNQVTVGLT-MNOVXSKESA-N 1 2 328.338 2.493 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@@](F)(C#N)C1)c1ccc(F)cc1 ZINC000615578180 469272673 /nfs/dbraw/zinc/27/26/73/469272673.db2.gz YFKXYVFOTBGTMQ-WMLDXEAASA-N 1 2 345.353 2.296 20 30 EEEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)N3CC[C@](F)(C#N)C3)c2C1 ZINC000615665044 469295915 /nfs/dbraw/zinc/29/59/15/469295915.db2.gz UULYLPIBRRVVOD-IBGZPJMESA-N 1 2 338.386 2.300 20 30 EEEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)N3CC[C@](F)(C#N)C3)c2C1 ZINC000615665044 469295919 /nfs/dbraw/zinc/29/59/19/469295919.db2.gz UULYLPIBRRVVOD-IBGZPJMESA-N 1 2 338.386 2.300 20 30 EEEDLO CC(C)(C)OC(=O)C(C)(C)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000599653866 469326184 /nfs/dbraw/zinc/32/61/84/469326184.db2.gz WDULFXFWVXSKPR-OAHLLOKOSA-N 1 2 348.443 2.202 20 30 EEEDLO COC(=O)[C@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)Cc2ccccc21 ZINC000599677330 469335362 /nfs/dbraw/zinc/33/53/62/469335362.db2.gz KLHUYJQRKPXTIS-SFHVURJKSA-N 1 2 349.390 2.269 20 30 EEEDLO COC(=O)[C@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)Cc2ccccc21 ZINC000599677330 469335363 /nfs/dbraw/zinc/33/53/63/469335363.db2.gz KLHUYJQRKPXTIS-SFHVURJKSA-N 1 2 349.390 2.269 20 30 EEEDLO CC1(C)COCC[N@@H+]1CCNc1c(C#N)cnn1-c1ccccc1 ZINC000603289961 469338300 /nfs/dbraw/zinc/33/83/00/469338300.db2.gz SRUJGOHKQUKCGA-UHFFFAOYSA-N 1 2 325.416 2.267 20 30 EEEDLO CC1(C)COCC[N@H+]1CCNc1c(C#N)cnn1-c1ccccc1 ZINC000603289961 469338303 /nfs/dbraw/zinc/33/83/03/469338303.db2.gz SRUJGOHKQUKCGA-UHFFFAOYSA-N 1 2 325.416 2.267 20 30 EEEDLO N#C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccccc1Br ZINC000619436324 469604558 /nfs/dbraw/zinc/60/45/58/469604558.db2.gz XKVWOZGFZALWQQ-ZDUSSCGKSA-N 1 2 333.189 2.486 20 30 EEEDLO N#C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccccc1Br ZINC000619436324 469604563 /nfs/dbraw/zinc/60/45/63/469604563.db2.gz XKVWOZGFZALWQQ-ZDUSSCGKSA-N 1 2 333.189 2.486 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1C#N ZINC000619517100 469630432 /nfs/dbraw/zinc/63/04/32/469630432.db2.gz WTGOHFMRBWSKOH-AUUYWEPGSA-N 1 2 344.411 2.115 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1C#N ZINC000619517100 469630437 /nfs/dbraw/zinc/63/04/37/469630437.db2.gz WTGOHFMRBWSKOH-AUUYWEPGSA-N 1 2 344.411 2.115 20 30 EEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000610133115 469983621 /nfs/dbraw/zinc/98/36/21/469983621.db2.gz ARPSOJMWFJGPIW-KRWDZBQOSA-N 1 2 342.443 2.111 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645439505 470304048 /nfs/dbraw/zinc/30/40/48/470304048.db2.gz NXPNVCOZLDZDAH-CVEARBPZSA-N 1 2 328.416 2.218 20 30 EEEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2sc(C)c(C)c2C)nn1 ZINC000641073542 471190557 /nfs/dbraw/zinc/19/05/57/471190557.db2.gz AVKSFPZDWUJBEV-UHFFFAOYSA-N 1 2 331.445 2.016 20 30 EEEDLO C=CCCn1cc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)nn1 ZINC000653622384 471691755 /nfs/dbraw/zinc/69/17/55/471691755.db2.gz AGJKBMMTTUFEIZ-UHFFFAOYSA-N 1 2 341.463 2.162 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cncc(Br)c2C)C1=O ZINC000668100516 472008269 /nfs/dbraw/zinc/00/82/69/472008269.db2.gz ONWLUVPLLWRSLM-AWEZNQCLSA-N 1 2 338.249 2.371 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cncc(Br)c2C)C1=O ZINC000668100516 472008273 /nfs/dbraw/zinc/00/82/73/472008273.db2.gz ONWLUVPLLWRSLM-AWEZNQCLSA-N 1 2 338.249 2.371 20 30 EEEDLO C=C[C@](C)(O)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000668574189 472179746 /nfs/dbraw/zinc/17/97/46/472179746.db2.gz RXSBOULRTRRGHJ-YOEHRIQHSA-N 1 2 340.826 2.497 20 30 EEEDLO C=C[C@](C)(O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000668574189 472179751 /nfs/dbraw/zinc/17/97/51/472179751.db2.gz RXSBOULRTRRGHJ-YOEHRIQHSA-N 1 2 340.826 2.497 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nnn(CC)c2CC)[C@H]1CC ZINC001087723270 782132919 /nfs/dbraw/zinc/13/29/19/782132919.db2.gz JLEPXASDHFXKIT-QWHCGFSZSA-N 1 2 339.871 2.196 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nnn(CC)c2CC)[C@H]1CC ZINC001087723270 782132921 /nfs/dbraw/zinc/13/29/21/782132921.db2.gz JLEPXASDHFXKIT-QWHCGFSZSA-N 1 2 339.871 2.196 20 30 EEEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000673739968 485515994 /nfs/dbraw/zinc/51/59/94/485515994.db2.gz PZWYJAZIUCXYTB-UHFFFAOYSA-N 1 2 337.383 2.133 20 30 EEEDLO C=CCCCCCN(C)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671397999 485814230 /nfs/dbraw/zinc/81/42/30/485814230.db2.gz RMNSZAFGOCWXQL-UHFFFAOYSA-N 1 2 343.471 2.323 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000685783793 486184438 /nfs/dbraw/zinc/18/44/38/486184438.db2.gz YBZHAIOVLKGEPD-KDOFPFPSSA-N 1 2 335.448 2.158 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000685783793 486184440 /nfs/dbraw/zinc/18/44/40/486184440.db2.gz YBZHAIOVLKGEPD-KDOFPFPSSA-N 1 2 335.448 2.158 20 30 EEEDLO CC#CCCNC(=O)N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000681538614 486268319 /nfs/dbraw/zinc/26/83/19/486268319.db2.gz GQZVUXOIXKRTHD-KRWDZBQOSA-N 1 2 349.862 2.114 20 30 EEEDLO N#Cc1ccc(Br)c(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1 ZINC000372809248 518196503 /nfs/dbraw/zinc/19/65/03/518196503.db2.gz XFODGSWNYQTIEI-WHOFXGATSA-N 1 2 348.244 2.407 20 30 EEEDLO N#Cc1ccc(Br)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1 ZINC000372809248 518196504 /nfs/dbraw/zinc/19/65/04/518196504.db2.gz XFODGSWNYQTIEI-WHOFXGATSA-N 1 2 348.244 2.407 20 30 EEEDLO C=C(C)C[NH+]1CCC(NC(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)CC1 ZINC000106290987 526603191 /nfs/dbraw/zinc/60/31/91/526603191.db2.gz MJDOYZSKTWCHPD-UHFFFAOYSA-N 1 2 340.427 2.414 20 30 EEEDLO C=C(C)C[NH+]1CCC(NC(=O)c2c[nH]c3nc(C)ccc3c2=O)CC1 ZINC000106290987 526603198 /nfs/dbraw/zinc/60/31/98/526603198.db2.gz MJDOYZSKTWCHPD-UHFFFAOYSA-N 1 2 340.427 2.414 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000730275376 577014594 /nfs/dbraw/zinc/01/45/94/577014594.db2.gz BZLRTRFENXIACF-MSOLQXFVSA-N 1 2 328.412 2.281 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000730275376 577014596 /nfs/dbraw/zinc/01/45/96/577014596.db2.gz BZLRTRFENXIACF-MSOLQXFVSA-N 1 2 328.412 2.281 20 30 EEEDLO C=CCNC(=O)COC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000731916627 577134743 /nfs/dbraw/zinc/13/47/43/577134743.db2.gz QLEITJRSVGOIRW-MRXNPFEDSA-N 1 2 344.455 2.175 20 30 EEEDLO COc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)c2ccc(OC)cc2)cc1 ZINC000733308086 577221241 /nfs/dbraw/zinc/22/12/41/577221241.db2.gz XZBKPKLZBIMPOB-LBPRGKRZSA-N 1 2 343.383 2.368 20 30 EEEDLO C[C@H](O[NH+]=C(N)c1ccc(F)cc1)C(=O)NCc1ccccc1F ZINC000734092315 577277282 /nfs/dbraw/zinc/27/72/82/577277282.db2.gz KNWMQSCPQABMOK-NSHDSACASA-N 1 2 333.338 2.307 20 30 EEEDLO C#C[C@H](NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1)[C@H]1CCCO1 ZINC000773215867 577323686 /nfs/dbraw/zinc/32/36/86/577323686.db2.gz VJVBCMVLITYKFN-DLBZAZTESA-N 1 2 342.443 2.052 20 30 EEEDLO C#C[C@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCO1 ZINC000775804783 577446429 /nfs/dbraw/zinc/44/64/29/577446429.db2.gz CGUDMXPOFSAMPP-TUKIKUTGSA-N 1 2 342.355 2.476 20 30 EEEDLO Cc1ccn(CN(C)Cc2[nH+]ccn2Cc2ccccc2)c(=O)c1C#N ZINC000758221292 577618971 /nfs/dbraw/zinc/61/89/71/577618971.db2.gz AANLDHQPUPBVQG-UHFFFAOYSA-N 1 2 347.422 2.363 20 30 EEEDLO N#Cc1cccn(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)c1=O ZINC000758249888 577620148 /nfs/dbraw/zinc/62/01/48/577620148.db2.gz VNRVTMPVTKAWDM-UHFFFAOYSA-N 1 2 341.386 2.498 20 30 EEEDLO C#CCCCC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000759306018 577640731 /nfs/dbraw/zinc/64/07/31/577640731.db2.gz VMGKCOKPXPEHEG-UHFFFAOYSA-N 1 2 327.428 2.093 20 30 EEEDLO N#Cc1cccc([C@@H]2CN(c3cc(-n4cc[nH+]c4)ncn3)CCO2)c1 ZINC000761245654 577680412 /nfs/dbraw/zinc/68/04/12/577680412.db2.gz JPDJLWCKEYNOKT-INIZCTEOSA-N 1 2 332.367 2.112 20 30 EEEDLO C#CCNC(=O)c1cccc(-c2noc(-c3ccc4[nH+]ccn4c3)n2)c1 ZINC000761803737 577689378 /nfs/dbraw/zinc/68/93/78/577689378.db2.gz UABFGDRQGRYTDQ-UHFFFAOYSA-N 1 2 343.346 2.414 20 30 EEEDLO CCOC(=O)C1CCC(N=Nc2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000761858700 577690290 /nfs/dbraw/zinc/69/02/90/577690290.db2.gz XPDXRYHPUHGFKW-UHFFFAOYSA-N 1 2 328.376 2.184 20 30 EEEDLO C[C@H](C#N)Oc1ccc(CNc2ccc(N(C)CCO)c[nH+]2)cc1 ZINC000763485465 577721857 /nfs/dbraw/zinc/72/18/57/577721857.db2.gz JJZBEEBFZGTXCY-CQSZACIVSA-N 1 2 326.400 2.413 20 30 EEEDLO CC[N@H+](CC(=O)N(C)C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000764191792 577732603 /nfs/dbraw/zinc/73/26/03/577732603.db2.gz IMQALDDREYMQJF-MRXNPFEDSA-N 1 2 344.459 2.040 20 30 EEEDLO CC[N@@H+](CC(=O)N(C)C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000764191792 577732604 /nfs/dbraw/zinc/73/26/04/577732604.db2.gz IMQALDDREYMQJF-MRXNPFEDSA-N 1 2 344.459 2.040 20 30 EEEDLO Cc1ccccc1CC(N)=[NH+]OCC(=O)NCc1cccc(C#N)c1 ZINC000751124355 577748407 /nfs/dbraw/zinc/74/84/07/577748407.db2.gz FCWOZUVHEOSJFL-UHFFFAOYSA-N 1 2 336.395 2.224 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CN(Cc2ccco2)c2ccccc2)CC1 ZINC000748811643 577967162 /nfs/dbraw/zinc/96/71/62/577967162.db2.gz BMNBWGRQKYMGBN-UHFFFAOYSA-N 1 2 337.423 2.064 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2OC2CCCC2)CC1 ZINC000749991325 577985284 /nfs/dbraw/zinc/98/52/84/577985284.db2.gz UQZUGWLSCNMCTB-UHFFFAOYSA-N 1 2 341.455 2.197 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CCO2)c1 ZINC000826386359 608066932 /nfs/dbraw/zinc/06/69/32/608066932.db2.gz ASGGXLXJKQIJCW-SFHVURJKSA-N 1 2 346.394 2.312 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)CCO2)c1 ZINC000826386359 608066933 /nfs/dbraw/zinc/06/69/33/608066933.db2.gz ASGGXLXJKQIJCW-SFHVURJKSA-N 1 2 346.394 2.312 20 30 EEEDLO C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1[nH]nc2c1CCCCC2 ZINC000969141722 674625942 /nfs/dbraw/zinc/62/59/42/674625942.db2.gz KDWJFBYOSBHKDO-OAHLLOKOSA-N 1 2 328.460 2.286 20 30 EEEDLO C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1[nH]nc2c1CCCCC2 ZINC000969141722 674625946 /nfs/dbraw/zinc/62/59/46/674625946.db2.gz KDWJFBYOSBHKDO-OAHLLOKOSA-N 1 2 328.460 2.286 20 30 EEEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC000969463505 675059265 /nfs/dbraw/zinc/05/92/65/675059265.db2.gz OGGSWOHOBPMLCM-NSHDSACASA-N 1 2 343.818 2.185 20 30 EEEDLO C[C@@H](NC(=O)[C@H]1CCCCO1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969483406 675067163 /nfs/dbraw/zinc/06/71/63/675067163.db2.gz NROSLXLHUPFREJ-FZKQIMNGSA-N 1 2 345.418 2.203 20 30 EEEDLO CC(C)c1ocnc1C[NH+]1CC([C@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000969527406 675089661 /nfs/dbraw/zinc/08/96/61/675089661.db2.gz WAWQDLJVJUGEPE-LBPRGKRZSA-N 1 2 341.415 2.248 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2nc(C)c(C)s2)C1 ZINC000970446173 675901468 /nfs/dbraw/zinc/90/14/68/675901468.db2.gz BZPCZZRUARXVSG-MAZHCROVSA-N 1 2 349.500 2.288 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nn(C)c(C)c2Cl)C1 ZINC000970512848 675951407 /nfs/dbraw/zinc/95/14/07/675951407.db2.gz KWRCXCFXYSOFCN-VIFPVBQESA-N 1 2 331.247 2.185 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2snnc2C(C)C)C1 ZINC000970633987 676039099 /nfs/dbraw/zinc/03/90/99/676039099.db2.gz GRRQFDJBNZHOCF-JTQLQIEISA-N 1 2 328.869 2.464 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc3c(c2)CCN3C)C1 ZINC000970695314 676083991 /nfs/dbraw/zinc/08/39/91/676083991.db2.gz BVSFWUBZFHJJCT-ZDUSSCGKSA-N 1 2 333.863 2.482 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC000970241041 675737591 /nfs/dbraw/zinc/73/75/91/675737591.db2.gz ZCJHAMGVOLZFOJ-CYBMUJFWSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccccc2-n2ccnn2)C1 ZINC000970985967 676295819 /nfs/dbraw/zinc/29/58/19/676295819.db2.gz OOOLGYFOASHWGB-ZDUSSCGKSA-N 1 2 345.834 2.070 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)c3ccccc3C)C2)C1 ZINC000972700169 679667851 /nfs/dbraw/zinc/66/78/51/679667851.db2.gz STZOWQKVDYHXTN-NRFANRHFSA-N 1 2 340.467 2.209 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)c3ccccc3C)C2)C1 ZINC000972700169 679667852 /nfs/dbraw/zinc/66/78/52/679667852.db2.gz STZOWQKVDYHXTN-NRFANRHFSA-N 1 2 340.467 2.209 20 30 EEEDLO CC[C@@H](OC)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971191580 676435714 /nfs/dbraw/zinc/43/57/14/676435714.db2.gz NLAJKKIYBPMOSE-DLBZAZTESA-N 1 2 333.407 2.155 20 30 EEEDLO CC[C@@H](OC)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971191580 676435716 /nfs/dbraw/zinc/43/57/16/676435716.db2.gz NLAJKKIYBPMOSE-DLBZAZTESA-N 1 2 333.407 2.155 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2C)C1 ZINC000971233774 676451837 /nfs/dbraw/zinc/45/18/37/676451837.db2.gz NPRGJCMWYOYKRH-GFCCVEGCSA-N 1 2 341.253 2.081 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2C)C1 ZINC000971233774 676451839 /nfs/dbraw/zinc/45/18/39/676451839.db2.gz NPRGJCMWYOYKRH-GFCCVEGCSA-N 1 2 341.253 2.081 20 30 EEEDLO C[N@H+](Cc1ccncc1Cl)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971368169 676505442 /nfs/dbraw/zinc/50/54/42/676505442.db2.gz ZJZYOWLZJMVDDR-AWEZNQCLSA-N 1 2 343.818 2.281 20 30 EEEDLO C[N@@H+](Cc1ccncc1Cl)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971368169 676505443 /nfs/dbraw/zinc/50/54/43/676505443.db2.gz ZJZYOWLZJMVDDR-AWEZNQCLSA-N 1 2 343.818 2.281 20 30 EEEDLO COCCOc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)o1 ZINC000891573174 676703937 /nfs/dbraw/zinc/70/39/37/676703937.db2.gz NRKVRPBITMZXQB-UHFFFAOYSA-N 1 2 341.411 2.499 20 30 EEEDLO C=CC(C)(C)NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000891708850 676796811 /nfs/dbraw/zinc/79/68/11/676796811.db2.gz LROJMYQDRDPXCR-UHFFFAOYSA-N 1 2 344.459 2.353 20 30 EEEDLO Cc1cc(Br)c(N2CC[NH+](CCCO)CC2)c(C#N)c1 ZINC000892165138 678190241 /nfs/dbraw/zinc/19/02/41/678190241.db2.gz QWYYSCATALMJKG-UHFFFAOYSA-N 1 2 338.249 2.134 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(c4ccc(F)cc4)CC3)C2)C1 ZINC000972407528 678695790 /nfs/dbraw/zinc/69/57/90/678695790.db2.gz KVABHICBRDUZKD-IBGZPJMESA-N 1 2 344.430 2.347 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(c4ccc(F)cc4)CC3)C2)C1 ZINC000972407528 678695792 /nfs/dbraw/zinc/69/57/92/678695792.db2.gz KVABHICBRDUZKD-IBGZPJMESA-N 1 2 344.430 2.347 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)noc3C(C)C)C2)C1 ZINC000972420954 678717394 /nfs/dbraw/zinc/71/73/94/678717394.db2.gz CZDIQMQOHSRZIX-LJQANCHMSA-N 1 2 345.443 2.047 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)noc3C(C)C)C2)C1 ZINC000972420954 678717398 /nfs/dbraw/zinc/71/73/98/678717398.db2.gz CZDIQMQOHSRZIX-LJQANCHMSA-N 1 2 345.443 2.047 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(CC)s3)C2)C1 ZINC000972455659 678778648 /nfs/dbraw/zinc/77/86/48/678778648.db2.gz GSOJQIMKELMXNF-SFHVURJKSA-N 1 2 332.469 2.251 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(CC)s3)C2)C1 ZINC000972455659 678778650 /nfs/dbraw/zinc/77/86/50/678778650.db2.gz GSOJQIMKELMXNF-SFHVURJKSA-N 1 2 332.469 2.251 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccn(C(C)C)c3C)C2)C1 ZINC000972512966 679130230 /nfs/dbraw/zinc/13/02/30/679130230.db2.gz CJSMONJGIZZZME-HXUWFJFHSA-N 1 2 343.471 2.318 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccn(C(C)C)c3C)C2)C1 ZINC000972512966 679130231 /nfs/dbraw/zinc/13/02/31/679130231.db2.gz CJSMONJGIZZZME-HXUWFJFHSA-N 1 2 343.471 2.318 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCCC3(F)F)C2)C1 ZINC000972516638 679136636 /nfs/dbraw/zinc/13/66/36/679136636.db2.gz BAQRLNONNJSPOU-GOEBONIOSA-N 1 2 328.403 2.301 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCCC3(F)F)C2)C1 ZINC000972516638 679136637 /nfs/dbraw/zinc/13/66/37/679136637.db2.gz BAQRLNONNJSPOU-GOEBONIOSA-N 1 2 328.403 2.301 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(F)c(F)c3F)C2)C1 ZINC000972528372 679179725 /nfs/dbraw/zinc/17/97/25/679179725.db2.gz NCYDMYLELJSXIA-QGZVFWFLSA-N 1 2 340.345 2.207 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(F)c(F)c3F)C2)C1 ZINC000972528372 679179727 /nfs/dbraw/zinc/17/97/27/679179727.db2.gz NCYDMYLELJSXIA-QGZVFWFLSA-N 1 2 340.345 2.207 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C)c(F)c3F)C2)C1 ZINC000972563496 679299494 /nfs/dbraw/zinc/29/94/94/679299494.db2.gz WWEYFWSWXQYXRF-IBGZPJMESA-N 1 2 348.393 2.213 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C)c(F)c3F)C2)C1 ZINC000972563496 679299495 /nfs/dbraw/zinc/29/94/95/679299495.db2.gz WWEYFWSWXQYXRF-IBGZPJMESA-N 1 2 348.393 2.213 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)c3c(C)noc3C)C2)C1 ZINC000972598533 679400667 /nfs/dbraw/zinc/40/06/67/679400667.db2.gz GTCDNSUCWPYOFU-QFBILLFUSA-N 1 2 347.459 2.274 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)c3c(C)noc3C)C2)C1 ZINC000972598533 679400669 /nfs/dbraw/zinc/40/06/69/679400669.db2.gz GTCDNSUCWPYOFU-QFBILLFUSA-N 1 2 347.459 2.274 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H](CNC(=O)c2oncc2C)C1 ZINC001023681052 679472912 /nfs/dbraw/zinc/47/29/12/679472912.db2.gz CMXUSQVWXKTOIF-GFCCVEGCSA-N 1 2 342.237 2.333 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H](CNC(=O)c2oncc2C)C1 ZINC001023681052 679472913 /nfs/dbraw/zinc/47/29/13/679472913.db2.gz CMXUSQVWXKTOIF-GFCCVEGCSA-N 1 2 342.237 2.333 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H](CNC(=O)c2nocc2C)C1 ZINC001023691086 679481864 /nfs/dbraw/zinc/48/18/64/679481864.db2.gz DXSHJZCDTCRLBF-GFCCVEGCSA-N 1 2 342.237 2.333 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H](CNC(=O)c2nocc2C)C1 ZINC001023691086 679481865 /nfs/dbraw/zinc/48/18/65/679481865.db2.gz DXSHJZCDTCRLBF-GFCCVEGCSA-N 1 2 342.237 2.333 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC4(CCC4)CO3)C2)C1 ZINC000972643488 679497390 /nfs/dbraw/zinc/49/73/90/679497390.db2.gz QKVQCAWDRUNCTN-PXNSSMCTSA-N 1 2 348.487 2.215 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC4(CCC4)CO3)C2)C1 ZINC000972643488 679497392 /nfs/dbraw/zinc/49/73/92/679497392.db2.gz QKVQCAWDRUNCTN-PXNSSMCTSA-N 1 2 348.487 2.215 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(c4ccccc4)CC3)C2)C1 ZINC000972662927 679532153 /nfs/dbraw/zinc/53/21/53/679532153.db2.gz VLYLHJMIROEEFB-IBGZPJMESA-N 1 2 326.440 2.208 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(c4ccccc4)CC3)C2)C1 ZINC000972662927 679532155 /nfs/dbraw/zinc/53/21/55/679532155.db2.gz VLYLHJMIROEEFB-IBGZPJMESA-N 1 2 326.440 2.208 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4ncsc4c3)C2)C1 ZINC000972663995 679535072 /nfs/dbraw/zinc/53/50/72/679535072.db2.gz FYQMULAGBOXMOE-SFHVURJKSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4ncsc4c3)C2)C1 ZINC000972663995 679535073 /nfs/dbraw/zinc/53/50/73/679535073.db2.gz FYQMULAGBOXMOE-SFHVURJKSA-N 1 2 343.452 2.399 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccc(F)cc3F)C2)C1 ZINC000972683466 679597736 /nfs/dbraw/zinc/59/77/36/679597736.db2.gz MYJGFZAJVGDAIB-AUUYWEPGSA-N 1 2 348.393 2.005 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccc(F)cc3F)C2)C1 ZINC000972683466 679597740 /nfs/dbraw/zinc/59/77/40/679597740.db2.gz MYJGFZAJVGDAIB-AUUYWEPGSA-N 1 2 348.393 2.005 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)c3ccc(F)cc3)C2)C1 ZINC000972691967 679613037 /nfs/dbraw/zinc/61/30/37/679613037.db2.gz KRLYEFDDJANRDQ-AZUAARDMSA-N 1 2 344.430 2.256 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)c3ccc(F)cc3)C2)C1 ZINC000972691967 679613041 /nfs/dbraw/zinc/61/30/41/679613041.db2.gz KRLYEFDDJANRDQ-AZUAARDMSA-N 1 2 344.430 2.256 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3csc(C4CC4)n3)C2)C1 ZINC000972694329 679617850 /nfs/dbraw/zinc/61/78/50/679617850.db2.gz AWXBCBRAWHMFTP-KRWDZBQOSA-N 1 2 333.457 2.123 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3csc(C4CC4)n3)C2)C1 ZINC000972694329 679617851 /nfs/dbraw/zinc/61/78/51/679617851.db2.gz AWXBCBRAWHMFTP-KRWDZBQOSA-N 1 2 333.457 2.123 20 30 EEEDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cscn1 ZINC000947205934 679877258 /nfs/dbraw/zinc/87/72/58/679877258.db2.gz YVTDQFVSYZSWQQ-WCQYABFASA-N 1 2 329.429 2.126 20 30 EEEDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1cscn1 ZINC000947205934 679877259 /nfs/dbraw/zinc/87/72/59/679877259.db2.gz YVTDQFVSYZSWQQ-WCQYABFASA-N 1 2 329.429 2.126 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)s1 ZINC001024399279 679889748 /nfs/dbraw/zinc/88/97/48/679889748.db2.gz GIOOSUGRRAEGPH-HNNXBMFYSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1cnc(C[N@H+]2CCCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)s1 ZINC001024399279 679889749 /nfs/dbraw/zinc/88/97/49/679889749.db2.gz GIOOSUGRRAEGPH-HNNXBMFYSA-N 1 2 343.456 2.436 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1CNC(=O)c1cncnc1 ZINC001024406112 679891025 /nfs/dbraw/zinc/89/10/25/679891025.db2.gz KDUIWRKTQVRLMN-GOSISDBHSA-N 1 2 335.411 2.133 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cncnc1 ZINC001024406112 679891026 /nfs/dbraw/zinc/89/10/26/679891026.db2.gz KDUIWRKTQVRLMN-GOSISDBHSA-N 1 2 335.411 2.133 20 30 EEEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2c(C)nn(C)c2s1 ZINC001024577423 681225792 /nfs/dbraw/zinc/22/57/92/681225792.db2.gz CHYNSXRRIBLMPI-CYBMUJFWSA-N 1 2 330.457 2.161 20 30 EEEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c(C)nn(C)c2s1 ZINC001024577423 681225795 /nfs/dbraw/zinc/22/57/95/681225795.db2.gz CHYNSXRRIBLMPI-CYBMUJFWSA-N 1 2 330.457 2.161 20 30 EEEDLO Cc1nnccc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2C#N)CC1(C)C ZINC000974773060 685423398 /nfs/dbraw/zinc/42/33/98/685423398.db2.gz FQFZIELLDZNWTI-SFHVURJKSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1nnccc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2C#N)CC1(C)C ZINC000974773060 685423400 /nfs/dbraw/zinc/42/34/00/685423400.db2.gz FQFZIELLDZNWTI-SFHVURJKSA-N 1 2 349.438 2.297 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccnc2c1ncn2C ZINC001024647098 681310655 /nfs/dbraw/zinc/31/06/55/681310655.db2.gz IULCTQHKZJHWHS-CYBMUJFWSA-N 1 2 347.850 2.305 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccnc2c1ncn2C ZINC001024647098 681310659 /nfs/dbraw/zinc/31/06/59/681310659.db2.gz IULCTQHKZJHWHS-CYBMUJFWSA-N 1 2 347.850 2.305 20 30 EEEDLO C[C@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000982828159 681342393 /nfs/dbraw/zinc/34/23/93/681342393.db2.gz ULZYKXKFYMTAGL-QAPCUYQASA-N 1 2 327.428 2.018 20 30 EEEDLO C[C@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000982828159 681342398 /nfs/dbraw/zinc/34/23/98/681342398.db2.gz ULZYKXKFYMTAGL-QAPCUYQASA-N 1 2 327.428 2.018 20 30 EEEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnc([C@H]2CCCO2)s1 ZINC001024696826 681355144 /nfs/dbraw/zinc/35/51/44/681355144.db2.gz MBIODCCKFORCIP-ZIAGYGMSSA-N 1 2 333.457 2.212 20 30 EEEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnc([C@H]2CCCO2)s1 ZINC001024696826 681355147 /nfs/dbraw/zinc/35/51/47/681355147.db2.gz MBIODCCKFORCIP-ZIAGYGMSSA-N 1 2 333.457 2.212 20 30 EEEDLO Cc1csc(C[N@@H+]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)n1 ZINC000973052549 681940570 /nfs/dbraw/zinc/94/05/70/681940570.db2.gz QYDLFDZMQPGAPZ-AWEZNQCLSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1csc(C[N@H+]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)n1 ZINC000973052549 681940574 /nfs/dbraw/zinc/94/05/74/681940574.db2.gz QYDLFDZMQPGAPZ-AWEZNQCLSA-N 1 2 343.456 2.292 20 30 EEEDLO N#Cc1ccc(N[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)cn1 ZINC001059111149 682206741 /nfs/dbraw/zinc/20/67/41/682206741.db2.gz QLCCUDOQRCIQPS-HNNXBMFYSA-N 1 2 332.367 2.156 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)c1 ZINC001006545317 682252228 /nfs/dbraw/zinc/25/22/28/682252228.db2.gz MXPXGIZDLQNANL-QGZVFWFLSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)c1 ZINC001006545317 682252230 /nfs/dbraw/zinc/25/22/30/682252230.db2.gz MXPXGIZDLQNANL-QGZVFWFLSA-N 1 2 345.418 2.205 20 30 EEEDLO Cc1nnc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCCN2C(=O)C#CC2CC2)o1 ZINC001025229143 682259899 /nfs/dbraw/zinc/25/98/99/682259899.db2.gz GORAUYDFPHMVPD-IAGOWNOFSA-N 1 2 342.443 2.137 20 30 EEEDLO Cc1nnc(C[N@H+]2CCC[C@@H]2[C@H]2CCCCN2C(=O)C#CC2CC2)o1 ZINC001025229143 682259901 /nfs/dbraw/zinc/25/99/01/682259901.db2.gz GORAUYDFPHMVPD-IAGOWNOFSA-N 1 2 342.443 2.137 20 30 EEEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)n1cccn1 ZINC001029222623 683575993 /nfs/dbraw/zinc/57/59/93/683575993.db2.gz ANRIZRNQEYPJFO-YSIASYRMSA-N 1 2 348.450 2.171 20 30 EEEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)n1cccn1 ZINC001029222623 683575996 /nfs/dbraw/zinc/57/59/96/683575996.db2.gz ANRIZRNQEYPJFO-YSIASYRMSA-N 1 2 348.450 2.171 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001025926019 683647417 /nfs/dbraw/zinc/64/74/17/683647417.db2.gz BEAHUOFNRZLAPL-OVBSTXLKSA-N 1 2 339.277 2.378 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001025926019 683647419 /nfs/dbraw/zinc/64/74/19/683647419.db2.gz BEAHUOFNRZLAPL-OVBSTXLKSA-N 1 2 339.277 2.378 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccn[nH]2)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000993069601 683833337 /nfs/dbraw/zinc/83/33/37/683833337.db2.gz KPZFNJWVOWIOLO-WBMJQRKESA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccn[nH]2)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000993069601 683833342 /nfs/dbraw/zinc/83/33/42/683833342.db2.gz KPZFNJWVOWIOLO-WBMJQRKESA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cnsn2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993106692 683932481 /nfs/dbraw/zinc/93/24/81/683932481.db2.gz HCBNLFBVKQCZRW-ZBFHGGJFSA-N 1 2 340.452 2.173 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cnsn2)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993106692 683932483 /nfs/dbraw/zinc/93/24/83/683932483.db2.gz HCBNLFBVKQCZRW-ZBFHGGJFSA-N 1 2 340.452 2.173 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cnsn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993124303 683957908 /nfs/dbraw/zinc/95/79/08/683957908.db2.gz ZXFRUFSIEXZWMZ-WFASDCNBSA-N 1 2 341.440 2.193 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cnsn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993124303 683957910 /nfs/dbraw/zinc/95/79/10/683957910.db2.gz ZXFRUFSIEXZWMZ-WFASDCNBSA-N 1 2 341.440 2.193 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001059316375 684127397 /nfs/dbraw/zinc/12/73/97/684127397.db2.gz UCJVKZWGEJMVOJ-HUUCEWRRSA-N 1 2 344.459 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cccc(OCC)n2)C1 ZINC001008002253 684261610 /nfs/dbraw/zinc/26/16/10/684261610.db2.gz ZXZHBFLATCTXTI-OAHLLOKOSA-N 1 2 337.851 2.356 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cccc(OCC)n2)C1 ZINC001008002253 684261613 /nfs/dbraw/zinc/26/16/13/684261613.db2.gz ZXZHBFLATCTXTI-OAHLLOKOSA-N 1 2 337.851 2.356 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000984455824 684564343 /nfs/dbraw/zinc/56/43/43/684564343.db2.gz XYPREOHTVCGXDZ-HNNXBMFYSA-N 1 2 346.475 2.014 20 30 EEEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCc2ccc(C#N)cc2F)[nH]n1 ZINC000896189893 684890704 /nfs/dbraw/zinc/89/07/04/684890704.db2.gz SAVDYZGULRBJKX-MRXNPFEDSA-N 1 2 327.363 2.117 20 30 EEEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCc2ccc(C#N)cc2F)[nH]n1 ZINC000896189893 684890708 /nfs/dbraw/zinc/89/07/08/684890708.db2.gz SAVDYZGULRBJKX-MRXNPFEDSA-N 1 2 327.363 2.117 20 30 EEEDLO Cc1nc(C[N@@H+]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)c(C)o1 ZINC000974473956 684966453 /nfs/dbraw/zinc/96/64/53/684966453.db2.gz WEVXIJNBDDSEOY-INIZCTEOSA-N 1 2 341.415 2.132 20 30 EEEDLO Cc1nc(C[N@H+]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)c(C)o1 ZINC000974473956 684966454 /nfs/dbraw/zinc/96/64/54/684966454.db2.gz WEVXIJNBDDSEOY-INIZCTEOSA-N 1 2 341.415 2.132 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2cc(Br)[nH]n2)[C@@H]1C ZINC000986321140 688492423 /nfs/dbraw/zinc/49/24/23/688492423.db2.gz PJTPPJALZRENDS-RKDXNWHRSA-N 1 2 347.644 2.117 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nc(CC)no3)[C@H]2C)CC1 ZINC000986857589 688980449 /nfs/dbraw/zinc/98/04/49/688980449.db2.gz VLYJHWBCWUXILZ-UKRRQHHQSA-N 1 2 332.448 2.457 20 30 EEEDLO C#CCCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccnn3C)C2)cc1 ZINC000897557840 691608174 /nfs/dbraw/zinc/60/81/74/691608174.db2.gz BMZILQJVBMAMMT-LJQANCHMSA-N 1 2 325.412 2.396 20 30 EEEDLO C#CCCOc1ccc(C[N@H+]2CCO[C@@H](c3ccnn3C)C2)cc1 ZINC000897557840 691608177 /nfs/dbraw/zinc/60/81/77/691608177.db2.gz BMZILQJVBMAMMT-LJQANCHMSA-N 1 2 325.412 2.396 20 30 EEEDLO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000897651969 691729184 /nfs/dbraw/zinc/72/91/84/691729184.db2.gz QBQAFPCNIBOGKR-HZPDHXFCSA-N 1 2 349.406 2.421 20 30 EEEDLO N#CCCn1cc(C[NH+]2CC(N3CCCC3=O)C2)c(-c2ccccc2)n1 ZINC000897786234 691782705 /nfs/dbraw/zinc/78/27/05/691782705.db2.gz KWIBTQLTZGJACD-UHFFFAOYSA-N 1 2 349.438 2.270 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1ccc[nH]1 ZINC001006740012 692373930 /nfs/dbraw/zinc/37/39/30/692373930.db2.gz CLHLKPOVMKNVGR-QGZVFWFLSA-N 1 2 325.387 2.400 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)c1ccc[nH]1 ZINC001006740012 692373934 /nfs/dbraw/zinc/37/39/34/692373934.db2.gz CLHLKPOVMKNVGR-QGZVFWFLSA-N 1 2 325.387 2.400 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2nccn3cc(C)nc23)C(C)(C)C1 ZINC000977488098 692676116 /nfs/dbraw/zinc/67/61/16/692676116.db2.gz RGLJGAPJUPAKJZ-CYBMUJFWSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2nccn3cc(C)nc23)C(C)(C)C1 ZINC000977488098 692676119 /nfs/dbraw/zinc/67/61/19/692676119.db2.gz RGLJGAPJUPAKJZ-CYBMUJFWSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2Cc3cccnc3C2)C(C)(C)C1 ZINC000977515508 692713564 /nfs/dbraw/zinc/71/35/64/692713564.db2.gz RXHPGLJMRDQOGK-GDBMZVCRSA-N 1 2 333.863 2.376 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2Cc3cccnc3C2)C(C)(C)C1 ZINC000977515508 692713566 /nfs/dbraw/zinc/71/35/66/692713566.db2.gz RXHPGLJMRDQOGK-GDBMZVCRSA-N 1 2 333.863 2.376 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@H]1C[N@H+](Cc2ccccc2C#N)CC1(C)C ZINC000977662869 692898752 /nfs/dbraw/zinc/89/87/52/692898752.db2.gz LXMAFIOZSAQZJU-INIZCTEOSA-N 1 2 337.427 2.230 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2C#N)CC1(C)C ZINC000977662869 692898754 /nfs/dbraw/zinc/89/87/54/692898754.db2.gz LXMAFIOZSAQZJU-INIZCTEOSA-N 1 2 337.427 2.230 20 30 EEEDLO C=C1CCC(C(=O)N2CCCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000943479979 1192302637 /nfs/dbraw/zinc/30/26/37/1192302637.db2.gz GSEFASXTALXSCO-INIZCTEOSA-N 1 2 344.459 2.196 20 30 EEEDLO COc1ccc(C[N@H+](C)CCNC(=O)C(F)C(F)(F)F)cc1C#N ZINC001480866555 1176143537 /nfs/dbraw/zinc/14/35/37/1176143537.db2.gz GSGFZZQKSDXCSB-ZDUSSCGKSA-N 1 2 347.312 2.015 20 30 EEEDLO COc1ccc(C[N@@H+](C)CCNC(=O)C(F)C(F)(F)F)cc1C#N ZINC001480866555 1176143541 /nfs/dbraw/zinc/14/35/41/1176143541.db2.gz GSGFZZQKSDXCSB-ZDUSSCGKSA-N 1 2 347.312 2.015 20 30 EEEDLO COc1ccc(C[N@H+](C)CCNC(=O)[C@H](F)C(F)(F)F)cc1C#N ZINC001480866555 1176143546 /nfs/dbraw/zinc/14/35/46/1176143546.db2.gz GSGFZZQKSDXCSB-ZDUSSCGKSA-N 1 2 347.312 2.015 20 30 EEEDLO COc1ccc(C[N@@H+](C)CCNC(=O)[C@H](F)C(F)(F)F)cc1C#N ZINC001480866555 1176143550 /nfs/dbraw/zinc/14/35/50/1176143550.db2.gz GSGFZZQKSDXCSB-ZDUSSCGKSA-N 1 2 347.312 2.015 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cc(Cl)no3)C2)s1 ZINC001032143813 1192773435 /nfs/dbraw/zinc/77/34/35/1192773435.db2.gz HXMMQYPYOPXIFU-UHFFFAOYSA-N 1 2 336.804 2.123 20 30 EEEDLO Cc1nc(C)c(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)s1 ZINC001032174654 1192815499 /nfs/dbraw/zinc/81/54/99/1192815499.db2.gz FPCPHKTUYWWIJP-UHFFFAOYSA-N 1 2 340.452 2.493 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccc(OC)nn2)C1 ZINC001481409841 1181244291 /nfs/dbraw/zinc/24/42/91/1181244291.db2.gz UNIIFWUJTMIKOP-CYBMUJFWSA-N 1 2 338.839 2.164 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccc(OC)nn2)C1 ZINC001481409841 1181244294 /nfs/dbraw/zinc/24/42/94/1181244294.db2.gz UNIIFWUJTMIKOP-CYBMUJFWSA-N 1 2 338.839 2.164 20 30 EEEDLO C=CC[C@H](C)C(=O)N1C[C@@H](C(=O)NC(C)(C)C)[C@H](c2cn(C)c[nH+]2)C1 ZINC001268906977 1183808688 /nfs/dbraw/zinc/80/86/88/1183808688.db2.gz CILNBXISQKZEJT-RRFJBIMHSA-N 1 2 346.475 2.089 20 30 EEEDLO N#CCCC(=O)N1CC[C@H]2C[C@]21C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001270056487 1184816567 /nfs/dbraw/zinc/81/65/67/1184816567.db2.gz YQSSAKOQLNNLCC-IFXJQAMLSA-N 1 2 349.394 2.106 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(Cn3cccn3)o2)[C@H]1C ZINC001088585416 1187539337 /nfs/dbraw/zinc/53/93/37/1187539337.db2.gz VYRGQMDCIRVPOW-HIFRSBDPSA-N 1 2 348.834 2.470 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cn3cccn3)o2)[C@H]1C ZINC001088585416 1187539339 /nfs/dbraw/zinc/53/93/39/1187539339.db2.gz VYRGQMDCIRVPOW-HIFRSBDPSA-N 1 2 348.834 2.470 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2csc(NC(C)=O)n2)[C@H]1C ZINC001088696834 1188294018 /nfs/dbraw/zinc/29/40/18/1188294018.db2.gz KSLTZMVLORCFPA-KOLCDFICSA-N 1 2 342.852 2.047 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2csc(NC(C)=O)n2)[C@H]1C ZINC001088696834 1188294020 /nfs/dbraw/zinc/29/40/20/1188294020.db2.gz KSLTZMVLORCFPA-KOLCDFICSA-N 1 2 342.852 2.047 20 30 EEEDLO C#CCCCC(=O)NCC[C@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001076296423 1188837669 /nfs/dbraw/zinc/83/76/69/1188837669.db2.gz DJVWKCCNUKUICL-DLBZAZTESA-N 1 2 346.475 2.285 20 30 EEEDLO C#CCCCC(=O)NCC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001076297969 1188839225 /nfs/dbraw/zinc/83/92/25/1188839225.db2.gz RZOXXPFCZQMPAZ-AWEZNQCLSA-N 1 2 340.427 2.071 20 30 EEEDLO C=CCC1(C(=O)N[C@@H](C)CCNC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001076319788 1188850961 /nfs/dbraw/zinc/85/09/61/1188850961.db2.gz ITVGRKUMGXAUAG-AWEZNQCLSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccnc(Cl)c1)C2 ZINC001272880110 1193590565 /nfs/dbraw/zinc/59/05/65/1193590565.db2.gz XDSFKZYQBHBYMQ-SFHVURJKSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccnc(Cl)c1)C2 ZINC001272880110 1193590566 /nfs/dbraw/zinc/59/05/66/1193590566.db2.gz XDSFKZYQBHBYMQ-SFHVURJKSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]cc3C)[C@@H]2C1 ZINC001076566890 1189004264 /nfs/dbraw/zinc/00/42/64/1189004264.db2.gz YKWACTCCJHKMGA-GXTWGEPZSA-N 1 2 338.249 2.378 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]cc3C)[C@@H]2C1 ZINC001076566890 1189004268 /nfs/dbraw/zinc/00/42/68/1189004268.db2.gz YKWACTCCJHKMGA-GXTWGEPZSA-N 1 2 338.249 2.378 20 30 EEEDLO C=C[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21)c1ccccc1 ZINC001076597800 1189028524 /nfs/dbraw/zinc/02/85/24/1189028524.db2.gz KAZIMEMORJVBNW-IPMKNSEASA-N 1 2 348.450 2.479 20 30 EEEDLO C=C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21)c1ccccc1 ZINC001076597800 1189028527 /nfs/dbraw/zinc/02/85/27/1189028527.db2.gz KAZIMEMORJVBNW-IPMKNSEASA-N 1 2 348.450 2.479 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001076691401 1189111618 /nfs/dbraw/zinc/11/16/18/1189111618.db2.gz XEUHVRPWIZPEDY-GJZGRUSLSA-N 1 2 346.475 2.059 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CCc2ccccn2)s1 ZINC001483670033 1190729978 /nfs/dbraw/zinc/72/99/78/1190729978.db2.gz IQCDHORYBPRJEA-OAHLLOKOSA-N 1 2 340.452 2.338 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CCc2ccccn2)s1 ZINC001483670033 1190729980 /nfs/dbraw/zinc/72/99/80/1190729980.db2.gz IQCDHORYBPRJEA-OAHLLOKOSA-N 1 2 340.452 2.338 20 30 EEEDLO C[C@H](CNC(=O)c1ncccc1O)[N@H+](C)Cc1ccc(C#N)cc1F ZINC001485292543 1191722457 /nfs/dbraw/zinc/72/24/57/1191722457.db2.gz HOVPFGLVKUPMAZ-GFCCVEGCSA-N 1 2 342.374 2.048 20 30 EEEDLO C[C@H](CNC(=O)c1ncccc1O)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001485292543 1191722458 /nfs/dbraw/zinc/72/24/58/1191722458.db2.gz HOVPFGLVKUPMAZ-GFCCVEGCSA-N 1 2 342.374 2.048 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(F)cc(OC)cc1F ZINC001017986529 1224176667 /nfs/dbraw/zinc/17/66/67/1224176667.db2.gz YHGCFSDZTZYNNU-BETUJISGSA-N 1 2 334.366 2.286 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(F)cc(OC)cc1F ZINC001017986529 1224176671 /nfs/dbraw/zinc/17/66/71/1224176671.db2.gz YHGCFSDZTZYNNU-BETUJISGSA-N 1 2 334.366 2.286 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cn2c(cccc2F)n1 ZINC001272968763 1194277787 /nfs/dbraw/zinc/27/77/87/1194277787.db2.gz JPQAPGYUZXCAAD-IBGZPJMESA-N 1 2 340.402 2.064 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cn2c(cccc2F)n1 ZINC001272968763 1194277790 /nfs/dbraw/zinc/27/77/90/1194277790.db2.gz JPQAPGYUZXCAAD-IBGZPJMESA-N 1 2 340.402 2.064 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001005111675 1194446764 /nfs/dbraw/zinc/44/67/64/1194446764.db2.gz ORERZGOEVVYCQP-CJNGLKHVSA-N 1 2 346.475 2.216 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)C[C@@H]3CCCO3)c2C1 ZINC001128599986 1194450697 /nfs/dbraw/zinc/45/06/97/1194450697.db2.gz WHCXBMKCNXMKRP-RDJZCZTQSA-N 1 2 346.475 2.096 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)C[C@@H]3CCCO3)c2C1 ZINC001128599986 1194450700 /nfs/dbraw/zinc/45/07/00/1194450700.db2.gz WHCXBMKCNXMKRP-RDJZCZTQSA-N 1 2 346.475 2.096 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2[nH]ncc2Br)C1 ZINC001033508256 1194640931 /nfs/dbraw/zinc/64/09/31/1194640931.db2.gz SFRDNZZYPREECW-VIFPVBQESA-N 1 2 347.644 2.071 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2[nH]ncc2Br)C1 ZINC001033508256 1194640933 /nfs/dbraw/zinc/64/09/33/1194640933.db2.gz SFRDNZZYPREECW-VIFPVBQESA-N 1 2 347.644 2.071 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2CC3(C2)CCOCC3)C1 ZINC001033584018 1194931687 /nfs/dbraw/zinc/93/16/87/1194931687.db2.gz SNCYPUFMAVBDJF-OAHLLOKOSA-N 1 2 326.868 2.478 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC3(C2)CCOCC3)C1 ZINC001033584018 1194931688 /nfs/dbraw/zinc/93/16/88/1194931688.db2.gz SNCYPUFMAVBDJF-OAHLLOKOSA-N 1 2 326.868 2.478 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC001033615862 1194956733 /nfs/dbraw/zinc/95/67/33/1194956733.db2.gz CDZCIVSHQOWAGN-KRWDZBQOSA-N 1 2 339.464 2.400 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001033615862 1194956736 /nfs/dbraw/zinc/95/67/36/1194956736.db2.gz CDZCIVSHQOWAGN-KRWDZBQOSA-N 1 2 339.464 2.400 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]cc2C)C1 ZINC001033654664 1195005966 /nfs/dbraw/zinc/00/59/66/1195005966.db2.gz DALOLBMGVKPBTM-LBPRGKRZSA-N 1 2 326.238 2.378 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]cc2C)C1 ZINC001033654664 1195005970 /nfs/dbraw/zinc/00/59/70/1195005970.db2.gz DALOLBMGVKPBTM-LBPRGKRZSA-N 1 2 326.238 2.378 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001033670245 1195036020 /nfs/dbraw/zinc/03/60/20/1195036020.db2.gz VWWNTKXCUCARFE-KRWDZBQOSA-N 1 2 349.862 2.222 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001033670245 1195036023 /nfs/dbraw/zinc/03/60/23/1195036023.db2.gz VWWNTKXCUCARFE-KRWDZBQOSA-N 1 2 349.862 2.222 20 30 EEEDLO CCN(C(=O)c1ccon1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033757153 1195211012 /nfs/dbraw/zinc/21/10/12/1195211012.db2.gz RYLMKJNNQKAAHM-KRWDZBQOSA-N 1 2 341.386 2.402 20 30 EEEDLO CCN(C(=O)c1ccon1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033757153 1195211017 /nfs/dbraw/zinc/21/10/17/1195211017.db2.gz RYLMKJNNQKAAHM-KRWDZBQOSA-N 1 2 341.386 2.402 20 30 EEEDLO CCN(C(=O)c1ccon1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033759223 1195214658 /nfs/dbraw/zinc/21/46/58/1195214658.db2.gz PLPYRKJUINRXDK-OAHLLOKOSA-N 1 2 342.374 2.422 20 30 EEEDLO CCN(C(=O)c1ccon1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033759223 1195214661 /nfs/dbraw/zinc/21/46/61/1195214661.db2.gz PLPYRKJUINRXDK-OAHLLOKOSA-N 1 2 342.374 2.422 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCOC2)C1 ZINC001033773163 1195223079 /nfs/dbraw/zinc/22/30/79/1195223079.db2.gz OLAJREKWVIYKHF-UONOGXRCSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCOC2)C1 ZINC001033773163 1195223083 /nfs/dbraw/zinc/22/30/83/1195223083.db2.gz OLAJREKWVIYKHF-UONOGXRCSA-N 1 2 345.281 2.244 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001033788184 1195254671 /nfs/dbraw/zinc/25/46/71/1195254671.db2.gz BBPGVIQEQQBQPD-OAHLLOKOSA-N 1 2 341.415 2.228 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001033788184 1195254675 /nfs/dbraw/zinc/25/46/75/1195254675.db2.gz BBPGVIQEQQBQPD-OAHLLOKOSA-N 1 2 341.415 2.228 20 30 EEEDLO CCN(C(=O)c1cnnc(C)c1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033806766 1195290130 /nfs/dbraw/zinc/29/01/30/1195290130.db2.gz JBEPHEYEFYCXFQ-LJQANCHMSA-N 1 2 349.438 2.393 20 30 EEEDLO CCN(C(=O)c1cnnc(C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033806766 1195290132 /nfs/dbraw/zinc/29/01/32/1195290132.db2.gz JBEPHEYEFYCXFQ-LJQANCHMSA-N 1 2 349.438 2.393 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001033801834 1195302736 /nfs/dbraw/zinc/30/27/36/1195302736.db2.gz LGOIVRDREQPAHX-HNNXBMFYSA-N 1 2 343.456 2.388 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001033801834 1195302739 /nfs/dbraw/zinc/30/27/39/1195302739.db2.gz LGOIVRDREQPAHX-HNNXBMFYSA-N 1 2 343.456 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3nc[nH]c3n2)C1 ZINC001033865515 1195394677 /nfs/dbraw/zinc/39/46/77/1195394677.db2.gz FTDJWVBIZPWWQV-GFCCVEGCSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3nc[nH]c3n2)C1 ZINC001033865515 1195394680 /nfs/dbraw/zinc/39/46/80/1195394680.db2.gz FTDJWVBIZPWWQV-GFCCVEGCSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001033909369 1195482662 /nfs/dbraw/zinc/48/26/62/1195482662.db2.gz SILDVXKJTYFCBS-RRFJBIMHSA-N 1 2 336.867 2.199 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 ZINC001033909369 1195482664 /nfs/dbraw/zinc/48/26/64/1195482664.db2.gz SILDVXKJTYFCBS-RRFJBIMHSA-N 1 2 336.867 2.199 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)s1 ZINC001034158378 1195846100 /nfs/dbraw/zinc/84/61/00/1195846100.db2.gz AGGHMCNEFKMLAS-CQSZACIVSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)s1 ZINC001034158378 1195846103 /nfs/dbraw/zinc/84/61/03/1195846103.db2.gz AGGHMCNEFKMLAS-CQSZACIVSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)s1 ZINC001034158377 1195861821 /nfs/dbraw/zinc/86/18/21/1195861821.db2.gz AGGHMCNEFKMLAS-AWEZNQCLSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1cnc(C[N@H+]2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)s1 ZINC001034158377 1195861823 /nfs/dbraw/zinc/86/18/23/1195861823.db2.gz AGGHMCNEFKMLAS-AWEZNQCLSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c(C)o1 ZINC001034165691 1195884165 /nfs/dbraw/zinc/88/41/65/1195884165.db2.gz PGCNBLCSPQBADG-HNNXBMFYSA-N 1 2 341.415 2.276 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c(C)o1 ZINC001034165691 1195884168 /nfs/dbraw/zinc/88/41/68/1195884168.db2.gz PGCNBLCSPQBADG-HNNXBMFYSA-N 1 2 341.415 2.276 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C(F)(F)F)n1 ZINC001018091893 1224322871 /nfs/dbraw/zinc/32/28/71/1224322871.db2.gz PSBQATHIWZNUEW-BETUJISGSA-N 1 2 337.345 2.413 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C(F)(F)F)n1 ZINC001018091893 1224322880 /nfs/dbraw/zinc/32/28/80/1224322880.db2.gz PSBQATHIWZNUEW-BETUJISGSA-N 1 2 337.345 2.413 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCCC[N@H+](Cc3nccs3)C2)c1 ZINC001034392440 1196159476 /nfs/dbraw/zinc/15/94/76/1196159476.db2.gz KFFIHFASPTWDLI-MRXNPFEDSA-N 1 2 340.452 2.304 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3nccs3)C2)c1 ZINC001034392440 1196159479 /nfs/dbraw/zinc/15/94/79/1196159479.db2.gz KFFIHFASPTWDLI-MRXNPFEDSA-N 1 2 340.452 2.304 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](Cc3coc(C)n3)C2)cn1 ZINC001034493860 1196284155 /nfs/dbraw/zinc/28/41/55/1196284155.db2.gz SAGXOGWFVHXCCY-KRWDZBQOSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](Cc3coc(C)n3)C2)cn1 ZINC001034493860 1196284158 /nfs/dbraw/zinc/28/41/58/1196284158.db2.gz SAGXOGWFVHXCCY-KRWDZBQOSA-N 1 2 338.411 2.144 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCc2cccc(N(C)C)c2)C1 ZINC001108154849 1196699584 /nfs/dbraw/zinc/69/95/84/1196699584.db2.gz IGARWLIWXDNLMT-FQEVSTJZSA-N 1 2 345.487 2.078 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCc2cccc(N(C)C)c2)C1 ZINC001108154849 1196699586 /nfs/dbraw/zinc/69/95/86/1196699586.db2.gz IGARWLIWXDNLMT-FQEVSTJZSA-N 1 2 345.487 2.078 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2cccc(N(C)C)c2)C1 ZINC001108154850 1196699606 /nfs/dbraw/zinc/69/96/06/1196699606.db2.gz IGARWLIWXDNLMT-HXUWFJFHSA-N 1 2 345.487 2.078 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCc2cccc(N(C)C)c2)C1 ZINC001108154850 1196699609 /nfs/dbraw/zinc/69/96/09/1196699609.db2.gz IGARWLIWXDNLMT-HXUWFJFHSA-N 1 2 345.487 2.078 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CCC)c2ccccn2)C1 ZINC001108162476 1196762922 /nfs/dbraw/zinc/76/29/22/1196762922.db2.gz SZLIUCJHSVVZMT-XLIONFOSSA-N 1 2 343.471 2.196 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CCC)c2ccccn2)C1 ZINC001108162476 1196762926 /nfs/dbraw/zinc/76/29/26/1196762926.db2.gz SZLIUCJHSVVZMT-XLIONFOSSA-N 1 2 343.471 2.196 20 30 EEEDLO Cc1nc(N[C@@H](C)C2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)cc[nH+]1 ZINC001061827455 1196964393 /nfs/dbraw/zinc/96/43/93/1196964393.db2.gz RRTVHTHEEHPPDX-LBPRGKRZSA-N 1 2 338.415 2.338 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(OC)c1ccccc1 ZINC001018185513 1224438494 /nfs/dbraw/zinc/43/84/94/1224438494.db2.gz LMFJSYJTMUJXSU-NSHGMRRFSA-N 1 2 326.440 2.247 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(OC)c1ccccc1 ZINC001018185513 1224438502 /nfs/dbraw/zinc/43/85/02/1224438502.db2.gz LMFJSYJTMUJXSU-NSHGMRRFSA-N 1 2 326.440 2.247 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095320710 1197926304 /nfs/dbraw/zinc/92/63/04/1197926304.db2.gz NLGCJHFFNGQSOR-CRAIPNDOSA-N 1 2 332.448 2.417 20 30 EEEDLO Cc1cc([N-][NH+]=Cc2c(Cl)cccc2N2CCOCC2)nc(N)[nH+]1 ZINC000872420023 1198174694 /nfs/dbraw/zinc/17/46/94/1198174694.db2.gz FQTTWGKSPVVCRF-UHFFFAOYSA-N 1 2 346.822 2.303 20 30 EEEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@H]2CCCCN2C1=O ZINC000872573332 1198253782 /nfs/dbraw/zinc/25/37/82/1198253782.db2.gz XTLLYODYTDHCIW-GOSISDBHSA-N 1 2 342.443 2.254 20 30 EEEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C[C@H]2CCCCN2C1=O ZINC000872573332 1198253787 /nfs/dbraw/zinc/25/37/87/1198253787.db2.gz XTLLYODYTDHCIW-GOSISDBHSA-N 1 2 342.443 2.254 20 30 EEEDLO N#Cc1ccc(C[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)cc1Cl ZINC000865559808 1198276917 /nfs/dbraw/zinc/27/69/17/1198276917.db2.gz VWBFHFLKWPIYKV-HNNXBMFYSA-N 1 2 331.807 2.272 20 30 EEEDLO CC(C)CN1CC2(C[NH+](CCCc3ccc(C#N)cc3)C2)OCC1=O ZINC001273439605 1199005048 /nfs/dbraw/zinc/00/50/48/1199005048.db2.gz MEFKNRKZHNYWFJ-UHFFFAOYSA-N 1 2 341.455 2.060 20 30 EEEDLO N#Cc1cccc(OCC(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)c1 ZINC000874895817 1199065004 /nfs/dbraw/zinc/06/50/04/1199065004.db2.gz FVAKSDBOWWKIFC-SFHVURJKSA-N 1 2 339.370 2.249 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2occc2C(C)C)[C@@H](O)C1 ZINC001090513860 1199182049 /nfs/dbraw/zinc/18/20/49/1199182049.db2.gz CYOUINVCCPZMJQ-KGLIPLIRSA-N 1 2 326.824 2.321 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2occc2C(C)C)[C@@H](O)C1 ZINC001090513860 1199182052 /nfs/dbraw/zinc/18/20/52/1199182052.db2.gz CYOUINVCCPZMJQ-KGLIPLIRSA-N 1 2 326.824 2.321 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1cc(C2CC2)no1 ZINC001132033774 1199218680 /nfs/dbraw/zinc/21/86/80/1199218680.db2.gz KXKRJBCTSKLURN-BBRMVZONSA-N 1 2 327.428 2.435 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1cc(C2CC2)no1 ZINC001132033774 1199218684 /nfs/dbraw/zinc/21/86/84/1199218684.db2.gz KXKRJBCTSKLURN-BBRMVZONSA-N 1 2 327.428 2.435 20 30 EEEDLO CCn1nnc(C)c1C[N@@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132034855 1199219618 /nfs/dbraw/zinc/21/96/18/1199219618.db2.gz VTOVSHXMVYSOIW-GOEBONIOSA-N 1 2 345.491 2.125 20 30 EEEDLO CCn1nnc(C)c1C[N@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132034855 1199219623 /nfs/dbraw/zinc/21/96/23/1199219623.db2.gz VTOVSHXMVYSOIW-GOEBONIOSA-N 1 2 345.491 2.125 20 30 EEEDLO Cc1ncc(C[N@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)cn1 ZINC001132037502 1199222413 /nfs/dbraw/zinc/22/24/13/1199222413.db2.gz CTPXVJBVCXMEHD-YOEHRIQHSA-N 1 2 328.460 2.304 20 30 EEEDLO Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)cn1 ZINC001132037502 1199222417 /nfs/dbraw/zinc/22/24/17/1199222417.db2.gz CTPXVJBVCXMEHD-YOEHRIQHSA-N 1 2 328.460 2.304 20 30 EEEDLO Cc1nnsc1C[N@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132037907 1199223403 /nfs/dbraw/zinc/22/34/03/1199223403.db2.gz KREIMCZPONCAOX-GXTWGEPZSA-N 1 2 334.489 2.365 20 30 EEEDLO Cc1nnsc1C[N@@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132037907 1199223405 /nfs/dbraw/zinc/22/34/05/1199223405.db2.gz KREIMCZPONCAOX-GXTWGEPZSA-N 1 2 334.489 2.365 20 30 EEEDLO Cc1nn(C)c(Cl)c1C[N@H+]1C[C@H](NC(=O)C#CC2CC2)CC[C@@H]1C ZINC001132045285 1199250963 /nfs/dbraw/zinc/25/09/63/1199250963.db2.gz DGKFROHYATXYGX-SWLSCSKDSA-N 1 2 348.878 2.264 20 30 EEEDLO Cc1nn(C)c(Cl)c1C[N@@H+]1C[C@H](NC(=O)C#CC2CC2)CC[C@@H]1C ZINC001132045285 1199250966 /nfs/dbraw/zinc/25/09/66/1199250966.db2.gz DGKFROHYATXYGX-SWLSCSKDSA-N 1 2 348.878 2.264 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=O)NCCCC)C2)CCC1 ZINC001132101375 1199293722 /nfs/dbraw/zinc/29/37/22/1199293722.db2.gz KKILLRGJPUHQJG-DLBZAZTESA-N 1 2 347.503 2.065 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(=O)NCCCC)C2)CCC1 ZINC001132101375 1199293729 /nfs/dbraw/zinc/29/37/29/1199293729.db2.gz KKILLRGJPUHQJG-DLBZAZTESA-N 1 2 347.503 2.065 20 30 EEEDLO C[C@@H](C[C@H](C)[NH2+]CC(F)(F)C(F)F)NC(=O)c1c[nH]c(C#N)c1 ZINC001134139653 1199346255 /nfs/dbraw/zinc/34/62/55/1199346255.db2.gz RTGBDHLGUAMWFH-IUCAKERBSA-N 1 2 334.317 2.273 20 30 EEEDLO C[C@H](C[C@@H](C)[NH2+]CC(F)(F)C(F)F)NC(=O)c1c[nH]c(C#N)c1 ZINC001134139654 1199346619 /nfs/dbraw/zinc/34/66/19/1199346619.db2.gz RTGBDHLGUAMWFH-RKDXNWHRSA-N 1 2 334.317 2.273 20 30 EEEDLO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nccn2C)C1 ZINC001132228786 1199469372 /nfs/dbraw/zinc/46/93/72/1199469372.db2.gz WJIUEYMCQSHLMY-SJORKVTESA-N 1 2 330.476 2.473 20 30 EEEDLO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nccn2C)C1 ZINC001132228786 1199469376 /nfs/dbraw/zinc/46/93/76/1199469376.db2.gz WJIUEYMCQSHLMY-SJORKVTESA-N 1 2 330.476 2.473 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 ZINC000878424807 1200459246 /nfs/dbraw/zinc/45/92/46/1200459246.db2.gz ZNXRJIFUBCVDOV-UHFFFAOYSA-N 1 2 339.395 2.131 20 30 EEEDLO C#CCC[N@@H+](CCOC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878998536 1200795028 /nfs/dbraw/zinc/79/50/28/1200795028.db2.gz RATFLGJHXPYPLI-UHFFFAOYSA-N 1 2 330.344 2.117 20 30 EEEDLO C#CCC[N@H+](CCOC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878998536 1200795035 /nfs/dbraw/zinc/79/50/35/1200795035.db2.gz RATFLGJHXPYPLI-UHFFFAOYSA-N 1 2 330.344 2.117 20 30 EEEDLO C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001133405637 1200868448 /nfs/dbraw/zinc/86/84/48/1200868448.db2.gz JDRUZNQNQDFKRK-UHFFFAOYSA-N 1 2 344.846 2.247 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NCCCN(CC)c1cc[nH+]c(C)n1)OCC ZINC001095922744 1224647090 /nfs/dbraw/zinc/64/70/90/1224647090.db2.gz XYJGWASHAIPKEB-MRXNPFEDSA-N 1 2 334.464 2.489 20 30 EEEDLO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879588822 1201160435 /nfs/dbraw/zinc/16/04/35/1201160435.db2.gz UNSDVAKOCLHAIH-CYBMUJFWSA-N 1 2 332.423 2.123 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)c2cccc(C(F)(F)F)c2)nn1 ZINC000881405091 1201693619 /nfs/dbraw/zinc/69/36/19/1201693619.db2.gz ADJNFTXOXDEPPJ-HNNXBMFYSA-N 1 2 338.333 2.143 20 30 EEEDLO C=CCCC(=O)N1CC[C@]2(C1)CN(c1nc(C)[nH+]c(C)c1C)CCO2 ZINC001114416997 1201769911 /nfs/dbraw/zinc/76/99/11/1201769911.db2.gz KKFJBDMTQZDYLO-IBGZPJMESA-N 1 2 344.459 2.176 20 30 EEEDLO C[N@H+](CC(F)F)C1CCN(c2ccc([N+](=O)[O-])c(N)c2C#N)CC1 ZINC000882058316 1201809570 /nfs/dbraw/zinc/80/95/70/1201809570.db2.gz NUNSPJJMJHHHOX-UHFFFAOYSA-N 1 2 339.346 2.214 20 30 EEEDLO C[N@@H+](CC(F)F)C1CCN(c2ccc([N+](=O)[O-])c(N)c2C#N)CC1 ZINC000882058316 1201809571 /nfs/dbraw/zinc/80/95/71/1201809571.db2.gz NUNSPJJMJHHHOX-UHFFFAOYSA-N 1 2 339.346 2.214 20 30 EEEDLO CC(C)c1n[nH]cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015067946 1224706773 /nfs/dbraw/zinc/70/67/73/1224706773.db2.gz YFQATPDBMSJZNF-MRXNPFEDSA-N 1 2 337.427 2.409 20 30 EEEDLO CC(C)c1n[nH]cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015067946 1224706778 /nfs/dbraw/zinc/70/67/78/1224706778.db2.gz YFQATPDBMSJZNF-MRXNPFEDSA-N 1 2 337.427 2.409 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[C@H]([NH2+]Cc2nsc(N(C)C)n2)C12CCC2 ZINC001202590072 1202183603 /nfs/dbraw/zinc/18/36/03/1202183603.db2.gz HGYFFYGCEJFZBU-QWHCGFSZSA-N 1 2 349.504 2.087 20 30 EEEDLO C=C1CCC(C(=O)N2CCO[C@@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001066672028 1202471496 /nfs/dbraw/zinc/47/14/96/1202471496.db2.gz MBZKCCJGZQACDY-INIZCTEOSA-N 1 2 330.432 2.171 20 30 EEEDLO Cc1ccc([C@@H](C)NC(=O)CO[NH+]=C(N)Cc2cccnc2)cc1C ZINC000137659482 1202492668 /nfs/dbraw/zinc/49/26/68/1202492668.db2.gz DPKJFPJNWGDHSQ-OAHLLOKOSA-N 1 2 340.427 2.407 20 30 EEEDLO CC(C)(C)OC(=O)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC#N ZINC001274032473 1204339576 /nfs/dbraw/zinc/33/95/76/1204339576.db2.gz PVLFHOIEUXDAPN-SFHVURJKSA-N 1 2 335.448 2.089 20 30 EEEDLO CC(C)(C)OC(=O)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCC#N ZINC001274032473 1204339580 /nfs/dbraw/zinc/33/95/80/1204339580.db2.gz PVLFHOIEUXDAPN-SFHVURJKSA-N 1 2 335.448 2.089 20 30 EEEDLO C=CCN1CC[C@]2(CC[N@@H+](Cc3n[nH]c4cc(F)ccc34)C2)C1=O ZINC001274066944 1204352869 /nfs/dbraw/zinc/35/28/69/1204352869.db2.gz DBZPLAHOGFJIOQ-SFHVURJKSA-N 1 2 328.391 2.312 20 30 EEEDLO C=CCN1CC[C@]2(CC[N@H+](Cc3n[nH]c4cc(F)ccc34)C2)C1=O ZINC001274066944 1204352872 /nfs/dbraw/zinc/35/28/72/1204352872.db2.gz DBZPLAHOGFJIOQ-SFHVURJKSA-N 1 2 328.391 2.312 20 30 EEEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3ccc(Cl)c(O)c3)C2)OCC1=O ZINC001274182329 1204440871 /nfs/dbraw/zinc/44/08/71/1204440871.db2.gz QFKZNNPUWVWWKJ-KRWDZBQOSA-N 1 2 336.819 2.035 20 30 EEEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3ccc(Cl)c(O)c3)C2)OCC1=O ZINC001274182329 1204440873 /nfs/dbraw/zinc/44/08/73/1204440873.db2.gz QFKZNNPUWVWWKJ-KRWDZBQOSA-N 1 2 336.819 2.035 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C)CC1 ZINC001015171244 1224856472 /nfs/dbraw/zinc/85/64/72/1224856472.db2.gz AUHCQOLEXZYCNS-HOCLYGCPSA-N 1 2 344.459 2.194 20 30 EEEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(C#N)ccc1O ZINC001274667535 1205125064 /nfs/dbraw/zinc/12/50/64/1205125064.db2.gz PCWDMLZZCNFLCN-LJQANCHMSA-N 1 2 325.412 2.407 20 30 EEEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C#N)ccc1O ZINC001274667535 1205125066 /nfs/dbraw/zinc/12/50/66/1205125066.db2.gz PCWDMLZZCNFLCN-LJQANCHMSA-N 1 2 325.412 2.407 20 30 EEEDLO CCn1ccnc1CN1CC2(C1)C[NH+](Cc1ccc(C#N)c(F)c1)C2 ZINC001275326772 1205309581 /nfs/dbraw/zinc/30/95/81/1205309581.db2.gz CFYNBTROYYKVAB-UHFFFAOYSA-N 1 2 339.418 2.232 20 30 EEEDLO N#Cc1cc(F)cc(C[N@@H+]2C[C@@H]3OCCN(Cc4ccc[nH]4)[C@H]3C2)c1 ZINC001275414768 1205348422 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LODWJRBDMCABIT-HIFRSBDPSA-N 1 2 332.473 2.183 20 30 EEEDLO C[C@H](c1csnn1)[N@@H+](C)C[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001017127160 1227150140 /nfs/dbraw/zinc/15/01/40/1227150140.db2.gz LODWJRBDMCABIT-HIFRSBDPSA-N 1 2 332.473 2.183 20 30 EEEDLO Cc1ncccc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C#N)c1 ZINC001017489740 1227462337 /nfs/dbraw/zinc/46/23/37/1227462337.db2.gz AUVUTJIFRRONRT-HDICACEKSA-N 1 2 335.411 2.079 20 30 EEEDLO Cc1ncccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C#N)c1 ZINC001017489740 1227462340 /nfs/dbraw/zinc/46/23/40/1227462340.db2.gz AUVUTJIFRRONRT-HDICACEKSA-N 1 2 335.411 2.079 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@](C)(C=C)CC)C1=O ZINC001017895280 1227831747 /nfs/dbraw/zinc/83/17/47/1227831747.db2.gz HDRMMENBRBCDPK-PFRQMTDMSA-N 1 2 345.487 2.051 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@](C)(C=C)CC)C1=O ZINC001017895280 1227831753 /nfs/dbraw/zinc/83/17/53/1227831753.db2.gz HDRMMENBRBCDPK-PFRQMTDMSA-N 1 2 345.487 2.051 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@H]2C)C1 ZINC001020290854 1229607947 /nfs/dbraw/zinc/60/79/47/1229607947.db2.gz YLTTTYSAVFEBTI-YCPHGPKFSA-N 1 2 344.459 2.050 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@H]2C)C1 ZINC001020290854 1229607949 /nfs/dbraw/zinc/60/79/49/1229607949.db2.gz YLTTTYSAVFEBTI-YCPHGPKFSA-N 1 2 344.459 2.050 20 30 EEEDLO Cc1nc(C)c(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)nc1C ZINC001038494602 1229868219 /nfs/dbraw/zinc/86/82/19/1229868219.db2.gz YYZSWLXVCZBNES-GOSISDBHSA-N 1 2 349.438 2.278 20 30 EEEDLO Cc1nc(C)c(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)nc1C ZINC001038494602 1229868223 /nfs/dbraw/zinc/86/82/23/1229868223.db2.gz YYZSWLXVCZBNES-GOSISDBHSA-N 1 2 349.438 2.278 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@]12CCC[C@H]1OCC2 ZINC001038507485 1229879621 /nfs/dbraw/zinc/87/96/21/1229879621.db2.gz HBZBGFMXJKORRG-ZVDOUQERSA-N 1 2 338.451 2.188 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@]12CCC[C@H]1OCC2 ZINC001038507485 1229879625 /nfs/dbraw/zinc/87/96/25/1229879625.db2.gz HBZBGFMXJKORRG-ZVDOUQERSA-N 1 2 338.451 2.188 20 30 EEEDLO CCc1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c(C)nn1 ZINC001038557682 1229914415 /nfs/dbraw/zinc/91/44/15/1229914415.db2.gz WGDAASWRPQEWSQ-SFHVURJKSA-N 1 2 349.438 2.223 20 30 EEEDLO CCc1cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)c(C)nn1 ZINC001038557682 1229914421 /nfs/dbraw/zinc/91/44/21/1229914421.db2.gz WGDAASWRPQEWSQ-SFHVURJKSA-N 1 2 349.438 2.223 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2CC(=O)N2CCC(C)CC2)CC1 ZINC001038662702 1229958926 /nfs/dbraw/zinc/95/89/26/1229958926.db2.gz UFIRDCAMVPELBG-GOSISDBHSA-N 1 2 347.503 2.182 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC(=O)N2CCC(C)CC2)CC1 ZINC001038662702 1229958929 /nfs/dbraw/zinc/95/89/29/1229958929.db2.gz UFIRDCAMVPELBG-GOSISDBHSA-N 1 2 347.503 2.182 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC(C)(Nc3cc[nH+]c(C)n3)CC2)cn1 ZINC001067267652 1229990291 /nfs/dbraw/zinc/99/02/91/1229990291.db2.gz OOMDNYRLBNAPOE-UHFFFAOYSA-N 1 2 335.411 2.268 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C)nc2C)cn1 ZINC001038934220 1230175581 /nfs/dbraw/zinc/17/55/81/1230175581.db2.gz BLQKPLRJCGZSAE-LJQANCHMSA-N 1 2 334.423 2.079 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C)nc2C)cn1 ZINC001038934220 1230175585 /nfs/dbraw/zinc/17/55/85/1230175585.db2.gz BLQKPLRJCGZSAE-LJQANCHMSA-N 1 2 334.423 2.079 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cncnc2C2CC2)c1 ZINC001038975582 1230205924 /nfs/dbraw/zinc/20/59/24/1230205924.db2.gz DLPCLEDQRIITPS-QGZVFWFLSA-N 1 2 347.422 2.230 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cncnc2C2CC2)c1 ZINC001038975582 1230205926 /nfs/dbraw/zinc/20/59/26/1230205926.db2.gz DLPCLEDQRIITPS-QGZVFWFLSA-N 1 2 347.422 2.230 20 30 EEEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H](O)c1ccccc1F ZINC001039531308 1230679765 /nfs/dbraw/zinc/67/97/65/1230679765.db2.gz LZHBPCLRYCAOPB-ZXFNITATSA-N 1 2 345.418 2.084 20 30 EEEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccccc1F ZINC001039531308 1230679767 /nfs/dbraw/zinc/67/97/67/1230679767.db2.gz LZHBPCLRYCAOPB-ZXFNITATSA-N 1 2 345.418 2.084 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@]4(C3)CCCN(CC#N)C4)ccn12 ZINC001040211232 1231105888 /nfs/dbraw/zinc/10/58/88/1231105888.db2.gz YTCSFAQHABHHHE-IBGZPJMESA-N 1 2 337.427 2.094 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(C(F)F)[nH]n3)C2)C1 ZINC001040388307 1231200610 /nfs/dbraw/zinc/20/06/10/1231200610.db2.gz MLMQJYZZDHRETC-KRWDZBQOSA-N 1 2 336.386 2.299 20 30 EEEDLO CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)c3cc(C(F)F)[nH]n3)C2)C1 ZINC001040388307 1231200612 /nfs/dbraw/zinc/20/06/12/1231200612.db2.gz MLMQJYZZDHRETC-KRWDZBQOSA-N 1 2 336.386 2.299 20 30 EEEDLO Cc1nc(N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)cc[nH+]1 ZINC001067319292 1231291803 /nfs/dbraw/zinc/29/18/03/1231291803.db2.gz INBYWLGVHFSAAQ-HNNXBMFYSA-N 1 2 338.415 2.020 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ncnn3C(C)C)C2)C1 ZINC001041545768 1231589817 /nfs/dbraw/zinc/58/98/17/1231589817.db2.gz XUWFJRSLQGFFSA-LJQANCHMSA-N 1 2 345.491 2.496 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ncnn3C(C)C)C2)C1 ZINC001041545768 1231589819 /nfs/dbraw/zinc/58/98/19/1231589819.db2.gz XUWFJRSLQGFFSA-LJQANCHMSA-N 1 2 345.491 2.496 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@]3(CC[N@@H+](Cc4nc(CC)no4)C3)C2)C1 ZINC001041654957 1231639338 /nfs/dbraw/zinc/63/93/38/1231639338.db2.gz AUVOFDJMEDRYMV-IBGZPJMESA-N 1 2 344.459 2.413 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@]3(CC[N@H+](Cc4nc(CC)no4)C3)C2)C1 ZINC001041654957 1231639339 /nfs/dbraw/zinc/63/93/39/1231639339.db2.gz AUVOFDJMEDRYMV-IBGZPJMESA-N 1 2 344.459 2.413 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001067514205 1249152625 /nfs/dbraw/zinc/15/26/25/1249152625.db2.gz HVQKCBQJCNXVJA-HOTGVXAUSA-N 1 2 348.491 2.498 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001067514205 1249152631 /nfs/dbraw/zinc/15/26/31/1249152631.db2.gz HVQKCBQJCNXVJA-HOTGVXAUSA-N 1 2 348.491 2.498 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cn[nH]c3-c3ccccn3)C[C@@H]21 ZINC001042089172 1231880575 /nfs/dbraw/zinc/88/05/75/1231880575.db2.gz VGMSDNWKLGTRAW-YJBOKZPZSA-N 1 2 349.438 2.031 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cn[nH]c3-c3ccccn3)C[C@@H]21 ZINC001042089172 1231880576 /nfs/dbraw/zinc/88/05/76/1231880576.db2.gz VGMSDNWKLGTRAW-YJBOKZPZSA-N 1 2 349.438 2.031 20 30 EEEDLO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(-c4nnc[nH]4)c3)C[C@H]21 ZINC001042183689 1231942128 /nfs/dbraw/zinc/94/21/28/1231942128.db2.gz QABBRCSGXZRUHP-WMLDXEAASA-N 1 2 337.427 2.194 20 30 EEEDLO C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(-c4nnc[nH]4)c3)C[C@H]21 ZINC001042183689 1231942131 /nfs/dbraw/zinc/94/21/31/1231942131.db2.gz QABBRCSGXZRUHP-WMLDXEAASA-N 1 2 337.427 2.194 20 30 EEEDLO C#CCOc1ccc(C(=O)N(C)C2C[NH+](C[C@H]3CC[C@H](C)O3)C2)cc1 ZINC001044020023 1232673896 /nfs/dbraw/zinc/67/38/96/1232673896.db2.gz KTCTUUWSISGJEZ-HNAYVOBHSA-N 1 2 342.439 2.022 20 30 EEEDLO C=CCCn1cc(C(=O)N(C)C2C[NH+](Cc3cccc(C)c3)C2)nn1 ZINC001044028703 1232679636 /nfs/dbraw/zinc/67/96/36/1232679636.db2.gz UNJBHFIJGLDIIU-UHFFFAOYSA-N 1 2 339.443 2.119 20 30 EEEDLO Cc1nc(N(CCCNC(=O)CSCC#N)C2CC2)c(C)c(C)[nH+]1 ZINC001096006255 1233426089 /nfs/dbraw/zinc/42/60/89/1233426089.db2.gz QEYAWFLBNVGTLD-UHFFFAOYSA-N 1 2 347.488 2.134 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)C2=CCOCC2)CC1 ZINC001045415184 1233731090 /nfs/dbraw/zinc/73/10/90/1233731090.db2.gz XLLZEXOHPGXEFO-UHFFFAOYSA-N 1 2 343.265 2.212 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cnccc2Nc2ccccc2)CC1 ZINC000900473670 1234393800 /nfs/dbraw/zinc/39/38/00/1234393800.db2.gz HUPSEACENPTCPQ-UHFFFAOYSA-N 1 2 334.423 2.028 20 30 EEEDLO CC1(C)CCC(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046090286 1234427087 /nfs/dbraw/zinc/42/70/87/1234427087.db2.gz RRZFHSNDYNBGFE-GOSISDBHSA-N 1 2 346.519 2.335 20 30 EEEDLO Cc1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(C#N)cc3F)C2)no1 ZINC001046124125 1234467781 /nfs/dbraw/zinc/46/77/81/1234467781.db2.gz XIOJURDNDFGCIW-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3F)C2)no1 ZINC001046124125 1234467784 /nfs/dbraw/zinc/46/77/84/1234467784.db2.gz XIOJURDNDFGCIW-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)on1 ZINC001046128451 1234472880 /nfs/dbraw/zinc/47/28/80/1234472880.db2.gz LULKNBMXXSVDBE-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)on1 ZINC001046128451 1234472881 /nfs/dbraw/zinc/47/28/81/1234472881.db2.gz LULKNBMXXSVDBE-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001046252696 1234596638 /nfs/dbraw/zinc/59/66/38/1234596638.db2.gz HDMKFSDGUPAOMX-SJKOYZFVSA-N 1 2 327.388 2.138 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001046252696 1234596639 /nfs/dbraw/zinc/59/66/39/1234596639.db2.gz HDMKFSDGUPAOMX-SJKOYZFVSA-N 1 2 327.388 2.138 20 30 EEEDLO C[C@]1(NC(=O)c2ncccc2O)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046261873 1234606136 /nfs/dbraw/zinc/60/61/36/1234606136.db2.gz HIBZQJYZKDFMSX-KRWDZBQOSA-N 1 2 342.424 2.115 20 30 EEEDLO C[C@]1(NC(=O)c2ncccc2O)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046261873 1234606138 /nfs/dbraw/zinc/60/61/38/1234606138.db2.gz HIBZQJYZKDFMSX-KRWDZBQOSA-N 1 2 342.424 2.115 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnc3[nH]c(C)nc3c2)C1 ZINC001046361100 1234707433 /nfs/dbraw/zinc/70/74/33/1234707433.db2.gz BPISRLKZSXIYFG-MRXNPFEDSA-N 1 2 333.823 2.213 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnc3[nH]c(C)nc3c2)C1 ZINC001046361100 1234707436 /nfs/dbraw/zinc/70/74/36/1234707436.db2.gz BPISRLKZSXIYFG-MRXNPFEDSA-N 1 2 333.823 2.213 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccn(CC(F)F)n2)C1 ZINC001046401647 1234758456 /nfs/dbraw/zinc/75/84/56/1234758456.db2.gz BICBOOUHRYASRY-AWEZNQCLSA-N 1 2 332.782 2.095 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccn(CC(F)F)n2)C1 ZINC001046401647 1234758459 /nfs/dbraw/zinc/75/84/59/1234758459.db2.gz BICBOOUHRYASRY-AWEZNQCLSA-N 1 2 332.782 2.095 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC001046403076 1234760003 /nfs/dbraw/zinc/76/00/03/1234760003.db2.gz NLQRAQWKXLVOCR-ZDUSSCGKSA-N 1 2 348.756 2.442 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC001046403076 1234760006 /nfs/dbraw/zinc/76/00/06/1234760006.db2.gz NLQRAQWKXLVOCR-ZDUSSCGKSA-N 1 2 348.756 2.442 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2Cc3cccc(F)c3O2)C1 ZINC001046844449 1235241922 /nfs/dbraw/zinc/24/19/22/1235241922.db2.gz AXLNZDJFCYRPQB-RHSMWYFYSA-N 1 2 338.810 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2Cc3cccc(F)c3O2)C1 ZINC001046844449 1235241925 /nfs/dbraw/zinc/24/19/25/1235241925.db2.gz AXLNZDJFCYRPQB-RHSMWYFYSA-N 1 2 338.810 2.462 20 30 EEEDLO CCn1cncc1/C=C1/CN(CC)C/C(=C/c2c[nH+]cn2CC)C1=O ZINC000901417839 1235755527 /nfs/dbraw/zinc/75/55/27/1235755527.db2.gz UYFPPNQMXFGJFP-DUGOVBPYSA-N 1 2 339.443 2.491 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)c3cccc(Cl)c3)CC2)cn1 ZINC000801552830 1235826237 /nfs/dbraw/zinc/82/62/37/1235826237.db2.gz DLUUZQTYESWEGW-GOSISDBHSA-N 1 2 342.830 2.462 20 30 EEEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ccccc3s2)C1 ZINC001047445859 1236029099 /nfs/dbraw/zinc/02/90/99/1236029099.db2.gz OHROPIIJNLIPMJ-GJZGRUSLSA-N 1 2 328.437 2.042 20 30 EEEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ccccc3s2)C1 ZINC001047445859 1236029103 /nfs/dbraw/zinc/02/91/03/1236029103.db2.gz OHROPIIJNLIPMJ-GJZGRUSLSA-N 1 2 328.437 2.042 20 30 EEEDLO Cc1nc(N2CCC3(C[C@@H](C)N(C(=O)[C@@H](C)C#N)C3)CC2)cc[nH+]1 ZINC001047631364 1236316042 /nfs/dbraw/zinc/31/60/42/1236316042.db2.gz UDRVWMWEQZTZTI-UONOGXRCSA-N 1 2 327.432 2.152 20 30 EEEDLO CCCC[C@H](C)C(=O)NCC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC001096281553 1237084164 /nfs/dbraw/zinc/08/41/64/1237084164.db2.gz BLXTVSRGMMOMIT-INIZCTEOSA-N 1 2 343.475 2.018 20 30 EEEDLO C=CCCCC(=O)N1C[C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001056655513 1239577920 /nfs/dbraw/zinc/57/79/20/1239577920.db2.gz PBFLNCXHNPBSIT-JKSUJKDBSA-N 1 2 344.459 2.148 20 30 EEEDLO C#CC[NH+]1CCC(C2(NC(=O)c3ccc(-c4nnc[nH]4)cc3)CC2)CC1 ZINC001000310111 1240156610 /nfs/dbraw/zinc/15/66/10/1240156610.db2.gz SHOQHZXOSMLWHU-UHFFFAOYSA-N 1 2 349.438 2.079 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@H]2CC2(F)F)CC1 ZINC001000661913 1240679008 /nfs/dbraw/zinc/67/90/08/1240679008.db2.gz YNFYAFAPTPTOQK-LLVKDONJSA-N 1 2 335.192 2.299 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@H]2CC2(F)F)CC1 ZINC001000661913 1240679014 /nfs/dbraw/zinc/67/90/14/1240679014.db2.gz YNFYAFAPTPTOQK-LLVKDONJSA-N 1 2 335.192 2.299 20 30 EEEDLO Cc1ncc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC#Cc2ccccc2)[nH]1 ZINC001049376718 1240722433 /nfs/dbraw/zinc/72/24/33/1240722433.db2.gz MBMAVTZTDQMETL-VQTJNVASSA-N 1 2 348.450 2.449 20 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C#CCO[C@H](C)C(=O)N(CCC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001096546424 1241368092 /nfs/dbraw/zinc/36/80/92/1241368092.db2.gz QINIYZCGXNDMNV-OAHLLOKOSA-N 1 2 344.459 2.031 20 30 EEEDLO C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c(C)n[nH]c1C(F)(F)F ZINC001049598237 1241593568 /nfs/dbraw/zinc/59/35/68/1241593568.db2.gz LOQFFRIOMXARLB-NEPJUHHUSA-N 1 2 340.349 2.049 20 30 EEEDLO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c(C)n[nH]c1C(F)(F)F ZINC001049598237 1241593571 /nfs/dbraw/zinc/59/35/71/1241593571.db2.gz LOQFFRIOMXARLB-NEPJUHHUSA-N 1 2 340.349 2.049 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001073417842 1242452558 /nfs/dbraw/zinc/45/25/58/1242452558.db2.gz ZKHATALIKWIWHP-INIZCTEOSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001073417842 1242452565 /nfs/dbraw/zinc/45/25/65/1242452565.db2.gz ZKHATALIKWIWHP-INIZCTEOSA-N 1 2 346.475 2.442 20 30 EEEDLO Cc1cc(N[C@H](CNC(=O)CSCC#N)C2CC2)nc(C2CC2)[nH+]1 ZINC001096585378 1242549346 /nfs/dbraw/zinc/54/93/46/1242549346.db2.gz PLRXCCRWLIXQCA-CQSZACIVSA-N 1 2 345.472 2.226 20 30 EEEDLO N#Cc1ccc(N[C@@H]2CCCCCN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001049915917 1242696250 /nfs/dbraw/zinc/69/62/50/1242696250.db2.gz SJDIBJMCNUTBFX-QGZVFWFLSA-N 1 2 338.415 2.033 20 30 EEEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(P(C)(C)=O)cc1)C2 ZINC001096590900 1242725862 /nfs/dbraw/zinc/72/58/62/1242725862.db2.gz IHTVKOMTMRLJSC-NJAFHUGGSA-N 1 2 344.395 2.293 20 30 EEEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(P(C)(C)=O)cc1)C2 ZINC001096590900 1242725869 /nfs/dbraw/zinc/72/58/69/1242725869.db2.gz IHTVKOMTMRLJSC-NJAFHUGGSA-N 1 2 344.395 2.293 20 30 EEEDLO C=CCOCC(=O)NC[C@H](Nc1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC001096591569 1242730155 /nfs/dbraw/zinc/73/01/55/1242730155.db2.gz JYKXFWZXTXOOLF-KRWDZBQOSA-N 1 2 344.459 2.173 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3nn(C)cc3Cl)[C@@H]2C1 ZINC001050056150 1242739548 /nfs/dbraw/zinc/73/95/48/1242739548.db2.gz QTIDWHWELSOALP-WCQYABFASA-N 1 2 343.258 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3nn(C)cc3Cl)[C@@H]2C1 ZINC001050056150 1242739556 /nfs/dbraw/zinc/73/95/56/1242739556.db2.gz QTIDWHWELSOALP-WCQYABFASA-N 1 2 343.258 2.362 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001073983819 1242862841 /nfs/dbraw/zinc/86/28/41/1242862841.db2.gz VSTUICXLTNBTCH-YOEHRIQHSA-N 1 2 344.459 2.074 20 30 EEEDLO Cc1conc1C[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001073995347 1242887287 /nfs/dbraw/zinc/88/72/87/1242887287.db2.gz MNOWJCGNDKBXLK-OAHLLOKOSA-N 1 2 341.415 2.310 20 30 EEEDLO Cc1conc1C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001073995347 1242887299 /nfs/dbraw/zinc/88/72/99/1242887299.db2.gz MNOWJCGNDKBXLK-OAHLLOKOSA-N 1 2 341.415 2.310 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001073999825 1242896848 /nfs/dbraw/zinc/89/68/48/1242896848.db2.gz RKJWHEYRIOXCIP-JKSUJKDBSA-N 1 2 346.475 2.062 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001096974060 1243510083 /nfs/dbraw/zinc/51/00/83/1243510083.db2.gz BTVOXXSHXALSIL-GJZGRUSLSA-N 1 2 343.475 2.080 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001096974060 1243510089 /nfs/dbraw/zinc/51/00/89/1243510089.db2.gz BTVOXXSHXALSIL-GJZGRUSLSA-N 1 2 343.475 2.080 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001096947108 1243524099 /nfs/dbraw/zinc/52/40/99/1243524099.db2.gz YPMUCWWWNLVECZ-HNNXBMFYSA-N 1 2 344.459 2.269 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC2(C1)CC[NH+](Cc1ncnn1C(C)C)CC2 ZINC001050618437 1243969026 /nfs/dbraw/zinc/96/90/26/1243969026.db2.gz WGWDKGJAHLJYIX-UHFFFAOYSA-N 1 2 345.491 2.496 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H]1CCCCN1c1[nH+]cnc2c1cnn2C ZINC001097444598 1244162032 /nfs/dbraw/zinc/16/20/32/1244162032.db2.gz ZBXPMXOELPKPIF-AWEZNQCLSA-N 1 2 342.447 2.195 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnco2)C3)cc1F ZINC001097602511 1244414304 /nfs/dbraw/zinc/41/43/04/1244414304.db2.gz HLHFDKJUYUUUTN-BMFZPTHFSA-N 1 2 340.358 2.221 20 30 EEEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnco2)C3)cc1F ZINC001097602511 1244414313 /nfs/dbraw/zinc/41/43/13/1244414313.db2.gz HLHFDKJUYUUUTN-BMFZPTHFSA-N 1 2 340.358 2.221 20 30 EEEDLO C=CCCC(=O)NC1CCC(Nc2ncnc3c2C[N@H+](C)CC3)CC1 ZINC001097613054 1244421306 /nfs/dbraw/zinc/42/13/06/1244421306.db2.gz PODNWDFPYAWLJD-UHFFFAOYSA-N 1 2 343.475 2.270 20 30 EEEDLO C=CCCC(=O)NC1CCC(Nc2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC001097613054 1244421310 /nfs/dbraw/zinc/42/13/10/1244421310.db2.gz PODNWDFPYAWLJD-UHFFFAOYSA-N 1 2 343.475 2.270 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001050817339 1244435003 /nfs/dbraw/zinc/43/50/03/1244435003.db2.gz RYNVIBDLTNSQTL-ZBFHGGJFSA-N 1 2 344.459 2.074 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001050817337 1244435523 /nfs/dbraw/zinc/43/55/23/1244435523.db2.gz RYNVIBDLTNSQTL-GOEBONIOSA-N 1 2 344.459 2.074 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3n1CCCC3)C2 ZINC001097704734 1244520815 /nfs/dbraw/zinc/52/08/15/1244520815.db2.gz BQSUPHZGOAGOAO-MCIONIFRSA-N 1 2 334.851 2.307 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3n1CCCC3)C2 ZINC001097704734 1244520827 /nfs/dbraw/zinc/52/08/27/1244520827.db2.gz BQSUPHZGOAGOAO-MCIONIFRSA-N 1 2 334.851 2.307 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1conc1C(F)(F)F ZINC001051028309 1244874558 /nfs/dbraw/zinc/87/45/58/1244874558.db2.gz LMTHDQNCWOUBDE-NSHDSACASA-N 1 2 347.337 2.090 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1conc1C(F)(F)F ZINC001051028309 1244874566 /nfs/dbraw/zinc/87/45/66/1244874566.db2.gz LMTHDQNCWOUBDE-NSHDSACASA-N 1 2 347.337 2.090 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001051036143 1244888339 /nfs/dbraw/zinc/88/83/39/1244888339.db2.gz AJYUBULTZFYYJJ-KRWDZBQOSA-N 1 2 331.460 2.404 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001051036143 1244888350 /nfs/dbraw/zinc/88/83/50/1244888350.db2.gz AJYUBULTZFYYJJ-KRWDZBQOSA-N 1 2 331.460 2.404 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001051051609 1244910840 /nfs/dbraw/zinc/91/08/40/1244910840.db2.gz NGNCJTZQTAVLHI-JTQLQIEISA-N 1 2 332.231 2.328 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001051051609 1244910848 /nfs/dbraw/zinc/91/08/48/1244910848.db2.gz NGNCJTZQTAVLHI-JTQLQIEISA-N 1 2 332.231 2.328 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2cnccc2n1 ZINC001051143350 1245040237 /nfs/dbraw/zinc/04/02/37/1245040237.db2.gz SHVRQMLXKIYOGU-MRXNPFEDSA-N 1 2 340.427 2.027 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2cnccc2n1 ZINC001051143350 1245040242 /nfs/dbraw/zinc/04/02/42/1245040242.db2.gz SHVRQMLXKIYOGU-MRXNPFEDSA-N 1 2 340.427 2.027 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CCCC2CCC2)cn1 ZINC001051216743 1245402450 /nfs/dbraw/zinc/40/24/50/1245402450.db2.gz LPRVUHWJAFSFGR-LJQANCHMSA-N 1 2 341.455 2.074 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CCCC2CCC2)cn1 ZINC001051216743 1245402453 /nfs/dbraw/zinc/40/24/53/1245402453.db2.gz LPRVUHWJAFSFGR-LJQANCHMSA-N 1 2 341.455 2.074 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1n[nH]c2c1CCCCC2 ZINC001051244436 1245434431 /nfs/dbraw/zinc/43/44/31/1245434431.db2.gz RKISUOUAEZXWRT-HNNXBMFYSA-N 1 2 346.475 2.075 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1n[nH]c2c1CCCCC2 ZINC001051244436 1245434437 /nfs/dbraw/zinc/43/44/37/1245434437.db2.gz RKISUOUAEZXWRT-HNNXBMFYSA-N 1 2 346.475 2.075 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccccc1OCC1CC1 ZINC001051256667 1245446405 /nfs/dbraw/zinc/44/64/05/1245446405.db2.gz YPEXHOSOGHPAKT-QGZVFWFLSA-N 1 2 344.455 2.482 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccccc1OCC1CC1 ZINC001051256667 1245446407 /nfs/dbraw/zinc/44/64/07/1245446407.db2.gz YPEXHOSOGHPAKT-QGZVFWFLSA-N 1 2 344.455 2.482 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001051288820 1245481717 /nfs/dbraw/zinc/48/17/17/1245481717.db2.gz QGOMHQGFDVBJBB-JKSUJKDBSA-N 1 2 346.475 2.229 20 30 EEEDLO CCCN(CCNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(C#N)nc1 ZINC001101246797 1245567065 /nfs/dbraw/zinc/56/70/65/1245567065.db2.gz FWPIIHHQZHBQQC-HNNXBMFYSA-N 1 2 340.431 2.134 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(C)no3)C[C@@]2(C)C1 ZINC001101331476 1245671296 /nfs/dbraw/zinc/67/12/96/1245671296.db2.gz FXTVZBFCPAJDLY-SIIHOXLZSA-N 1 2 332.448 2.261 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(C)no3)C[C@@]2(C)C1 ZINC001101331476 1245671302 /nfs/dbraw/zinc/67/13/02/1245671302.db2.gz FXTVZBFCPAJDLY-SIIHOXLZSA-N 1 2 332.448 2.261 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCc1ccccc1)c1nccn12 ZINC001101651083 1246082654 /nfs/dbraw/zinc/08/26/54/1246082654.db2.gz KGNULTDVGNUZHL-QGZVFWFLSA-N 1 2 336.439 2.274 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)CCc1ccccc1)c1nccn12 ZINC001101651647 1246084030 /nfs/dbraw/zinc/08/40/30/1246084030.db2.gz ZIGGOPYQWVUYLT-SFHVURJKSA-N 1 2 348.450 2.111 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)OCCC(C)C)c1nccn12 ZINC001101653954 1246086477 /nfs/dbraw/zinc/08/64/77/1246086477.db2.gz GVJXFEOYFLPBGI-CVEARBPZSA-N 1 2 346.475 2.092 20 30 EEEDLO CCc1ccccc1C[NH+]1CC2(C1)CN(C(=O)C#CC1CC1)CCO2 ZINC001053250766 1246096098 /nfs/dbraw/zinc/09/60/98/1246096098.db2.gz SDIOIEUOQXNRIX-UHFFFAOYSA-N 1 2 338.451 2.076 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCc3cc(F)ccc31)CCO2 ZINC001053342952 1246211943 /nfs/dbraw/zinc/21/19/43/1246211943.db2.gz RYLFBMIBIKTTTF-SFHVURJKSA-N 1 2 344.430 2.345 20 30 EEEDLO C#CCCCCC(=O)NC[C@@H]1C[N@@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1C ZINC001101893685 1246241126 /nfs/dbraw/zinc/24/11/26/1246241126.db2.gz NHADAAWNZRJIHL-GDBMZVCRSA-N 1 2 343.475 2.060 20 30 EEEDLO C#CCCCCC(=O)NC[C@@H]1C[N@H+](Cc2nnc(C3CC3)[nH]2)C[C@H]1C ZINC001101893685 1246241135 /nfs/dbraw/zinc/24/11/35/1246241135.db2.gz NHADAAWNZRJIHL-GDBMZVCRSA-N 1 2 343.475 2.060 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1(c3cccc(F)c3)CC1)CCO2 ZINC001053459486 1246358569 /nfs/dbraw/zinc/35/85/69/1246358569.db2.gz OFPYPRZPQNLJKK-UHFFFAOYSA-N 1 2 344.430 2.347 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)C3C=CC=CC=C3)C2)CC1 ZINC001052033335 1246400326 /nfs/dbraw/zinc/40/03/26/1246400326.db2.gz POHPQAIVPZYFED-GOSISDBHSA-N 1 2 347.890 2.256 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)C3(C4CC4)CC3)C2)CC1 ZINC001052041887 1246411431 /nfs/dbraw/zinc/41/14/31/1246411431.db2.gz UVOWOUGGZDILCZ-MRXNPFEDSA-N 1 2 337.895 2.148 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4C[C@@H]4CC3)C2)CC1 ZINC001052053114 1246424217 /nfs/dbraw/zinc/42/42/17/1246424217.db2.gz DRKKVBWCBBMAQS-IYWMVGAKSA-N 1 2 343.515 2.055 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1ccc(C)c(C)c1)CCO2 ZINC001053526767 1246434633 /nfs/dbraw/zinc/43/46/33/1246434633.db2.gz WOQAJQIJXGKDQC-UHFFFAOYSA-N 1 2 328.456 2.335 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)CC3CC(C)(C)C3)C2)CC1 ZINC001052069065 1246441096 /nfs/dbraw/zinc/44/10/96/1246441096.db2.gz PPYYPZXPPLRHLX-GOSISDBHSA-N 1 2 331.504 2.055 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)c3ccco3)C2)CC1 ZINC001052080672 1246457065 /nfs/dbraw/zinc/45/70/65/1246457065.db2.gz FRXMSLXECOAMFY-SJORKVTESA-N 1 2 331.460 2.178 20 30 EEEDLO Cc1cccc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c1Cl ZINC001052098416 1246477819 /nfs/dbraw/zinc/47/78/19/1246477819.db2.gz JIXUGFJOZUISET-OAHLLOKOSA-N 1 2 346.862 2.004 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C34CC(C(C)(C)C)(C3)C4)C2)CC1 ZINC001052123746 1246510721 /nfs/dbraw/zinc/51/07/21/1246510721.db2.gz OPGWCKAUGBSUSY-MDMXATFFSA-N 1 2 343.515 2.055 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C(C)C)nc1)O2 ZINC001053611606 1246531556 /nfs/dbraw/zinc/53/15/56/1246531556.db2.gz VARRAKNMZRHBRM-INIZCTEOSA-N 1 2 329.444 2.354 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3c[nH]ccc-3n1)O2 ZINC001053617980 1246541551 /nfs/dbraw/zinc/54/15/51/1246541551.db2.gz LWMMMHWVSBBHME-HNNXBMFYSA-N 1 2 340.427 2.102 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc3[nH]cnc31)O2 ZINC001053679824 1246635359 /nfs/dbraw/zinc/63/53/59/1246635359.db2.gz PFNZUDWDDWVAAH-CQSZACIVSA-N 1 2 340.427 2.102 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc(CC)s1)O2 ZINC001053701379 1246678783 /nfs/dbraw/zinc/67/87/83/1246678783.db2.gz UGKIUCIVPHVWAB-ZDUSSCGKSA-N 1 2 335.473 2.245 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc3oc(C)nc31)O2 ZINC001053701912 1246680937 /nfs/dbraw/zinc/68/09/37/1246680937.db2.gz IYVBPBOGFVYYFK-AWEZNQCLSA-N 1 2 341.411 2.285 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1csc(CC(C)C)n1)O2 ZINC001053704283 1246683609 /nfs/dbraw/zinc/68/36/09/1246683609.db2.gz YADOZRJXSDIYQQ-AWEZNQCLSA-N 1 2 349.500 2.491 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(OC(C)C)nc1)CO2 ZINC001053820664 1246843044 /nfs/dbraw/zinc/84/30/44/1246843044.db2.gz JBQPWIWXRLBICY-INIZCTEOSA-N 1 2 345.443 2.018 20 30 EEEDLO C=CCOc1ccc(C(=O)N[C@H]2COC3(C[NH+](CC(=C)C)C3)C2)cc1 ZINC001053851367 1246910010 /nfs/dbraw/zinc/91/00/10/1246910010.db2.gz RNWXAIFLYMIYTG-QGZVFWFLSA-N 1 2 342.439 2.401 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2COC3(C[NH+](C[C@@H]4CC(C)(C)CO4)C3)C2)C1 ZINC001053919621 1247014678 /nfs/dbraw/zinc/01/46/78/1247014678.db2.gz PPXFIUJZIMMJTI-CVEARBPZSA-N 1 2 348.487 2.117 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2COC3(C[NH+](C[C@H]4CC(C)(C)CO4)C3)C2)C1 ZINC001053919624 1247014761 /nfs/dbraw/zinc/01/47/61/1247014761.db2.gz PPXFIUJZIMMJTI-JKSUJKDBSA-N 1 2 348.487 2.117 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)c1ccc(CC)cc1)CO2 ZINC001053956304 1247064103 /nfs/dbraw/zinc/06/41/03/1247064103.db2.gz CRKNTWBUINPUFW-VQIMIIECSA-N 1 2 340.467 2.335 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(N(C)C)c(F)c1)CO2 ZINC001054018029 1247155341 /nfs/dbraw/zinc/15/53/41/1247155341.db2.gz SJCJLMOKSXFPST-OAHLLOKOSA-N 1 2 347.434 2.041 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@]1(C)CCc3ccccc31)CO2 ZINC001054018825 1247156553 /nfs/dbraw/zinc/15/65/53/1247156553.db2.gz ITHGMAKOJLXNGO-YLJYHZDGSA-N 1 2 340.467 2.426 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(F)nc1 ZINC001054034777 1247184830 /nfs/dbraw/zinc/18/48/30/1247184830.db2.gz YTRHUGDCCRUMRO-SFHVURJKSA-N 1 2 337.398 2.401 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(F)nc1 ZINC001054034777 1247184835 /nfs/dbraw/zinc/18/48/35/1247184835.db2.gz YTRHUGDCCRUMRO-SFHVURJKSA-N 1 2 337.398 2.401 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(C#C)cc1 ZINC001054049035 1247233690 /nfs/dbraw/zinc/23/36/90/1247233690.db2.gz OYRPUOIPMSAHLP-NRFANRHFSA-N 1 2 328.415 2.458 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(C#C)cc1 ZINC001054049035 1247233703 /nfs/dbraw/zinc/23/37/03/1247233703.db2.gz OYRPUOIPMSAHLP-NRFANRHFSA-N 1 2 328.415 2.458 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cnn2c1CCCC2 ZINC001054057498 1247259433 /nfs/dbraw/zinc/25/94/33/1247259433.db2.gz NCYXDMYXKRMMNZ-SFHVURJKSA-N 1 2 348.450 2.009 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cnn2c1CCCC2 ZINC001054057498 1247259443 /nfs/dbraw/zinc/25/94/43/1247259443.db2.gz NCYXDMYXKRMMNZ-SFHVURJKSA-N 1 2 348.450 2.009 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001054057569 1247259859 /nfs/dbraw/zinc/25/98/59/1247259859.db2.gz ACKCUCKMFSZLRB-GOSISDBHSA-N 1 2 333.435 2.293 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001054057569 1247259867 /nfs/dbraw/zinc/25/98/67/1247259867.db2.gz ACKCUCKMFSZLRB-GOSISDBHSA-N 1 2 333.435 2.293 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnn(C(C)C)c1 ZINC001054058334 1247262486 /nfs/dbraw/zinc/26/24/86/1247262486.db2.gz ILHOAAMHJLRZKH-LJQANCHMSA-N 1 2 336.439 2.254 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnn(C(C)C)c1 ZINC001054058334 1247262497 /nfs/dbraw/zinc/26/24/97/1247262497.db2.gz ILHOAAMHJLRZKH-LJQANCHMSA-N 1 2 336.439 2.254 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1[nH]nc2ccccc21 ZINC001054059471 1247269487 /nfs/dbraw/zinc/26/94/87/1247269487.db2.gz PXOMWICYEJFRSK-KRWDZBQOSA-N 1 2 344.418 2.353 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1[nH]nc2ccccc21 ZINC001054059471 1247269494 /nfs/dbraw/zinc/26/94/94/1247269494.db2.gz PXOMWICYEJFRSK-KRWDZBQOSA-N 1 2 344.418 2.353 20 30 EEEDLO C=CCCCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001067703767 1247738307 /nfs/dbraw/zinc/73/83/07/1247738307.db2.gz OWEVUJPOQUIPPS-INIZCTEOSA-N 1 2 346.475 2.109 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3[nH]ncc3C(F)(F)F)cc2C1 ZINC001054268009 1247945961 /nfs/dbraw/zinc/94/59/61/1247945961.db2.gz GWJVXRZYKBSSGT-UHFFFAOYSA-N 1 2 348.328 2.307 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3[nH]ncc3C(F)(F)F)cc2C1 ZINC001054268009 1247945967 /nfs/dbraw/zinc/94/59/67/1247945967.db2.gz GWJVXRZYKBSSGT-UHFFFAOYSA-N 1 2 348.328 2.307 20 30 EEEDLO C[C@H](Nc1ncccc1C#N)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001058023862 1248309545 /nfs/dbraw/zinc/30/95/45/1248309545.db2.gz NFOCVYYHJNCWNG-BBRMVZONSA-N 1 2 338.415 2.101 20 30 EEEDLO Cc1nsc(N[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C)c1C#N ZINC001068971310 1252022069 /nfs/dbraw/zinc/02/20/69/1252022069.db2.gz GFTOBWPQELQXPO-RISCZKNCSA-N 1 2 344.444 2.080 20 30 EEEDLO Cc1nsc(N[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C)c1C#N ZINC001068971310 1252022076 /nfs/dbraw/zinc/02/20/76/1252022076.db2.gz GFTOBWPQELQXPO-RISCZKNCSA-N 1 2 344.444 2.080 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2ncccc2O)C[N@@H+]1CC#Cc1ccccc1 ZINC001071454320 1254208055 /nfs/dbraw/zinc/20/80/55/1254208055.db2.gz KAOZKNFGTSWCCR-FUHWJXTLSA-N 1 2 349.434 2.422 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2ncccc2O)C[N@H+]1CC#Cc1ccccc1 ZINC001071454320 1254208062 /nfs/dbraw/zinc/20/80/62/1254208062.db2.gz KAOZKNFGTSWCCR-FUHWJXTLSA-N 1 2 349.434 2.422 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc3nc[nH]c3n2)CC[C@H]1C ZINC001071598350 1254403851 /nfs/dbraw/zinc/40/38/51/1254403851.db2.gz XVKICRLGNAYCAI-VXGBXAGGSA-N 1 2 333.823 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc3nc[nH]c3n2)CC[C@H]1C ZINC001071598350 1254403864 /nfs/dbraw/zinc/40/38/64/1254403864.db2.gz XVKICRLGNAYCAI-VXGBXAGGSA-N 1 2 333.823 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2cnccc2OC)CC[C@@H]1C ZINC001071605658 1254420271 /nfs/dbraw/zinc/42/02/71/1254420271.db2.gz CMDLKNXAXLSZQW-ZFWWWQNUSA-N 1 2 337.851 2.354 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2cnccc2OC)CC[C@@H]1C ZINC001071605658 1254420281 /nfs/dbraw/zinc/42/02/81/1254420281.db2.gz CMDLKNXAXLSZQW-ZFWWWQNUSA-N 1 2 337.851 2.354 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001071886473 1254747484 /nfs/dbraw/zinc/74/74/84/1254747484.db2.gz DUHJIHRUZOGNLB-WMLDXEAASA-N 1 2 337.427 2.373 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001071886473 1254747497 /nfs/dbraw/zinc/74/74/97/1254747497.db2.gz DUHJIHRUZOGNLB-WMLDXEAASA-N 1 2 337.427 2.373 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnc3c(cnn3C)c2)CC[C@H]1C ZINC001071934143 1254819601 /nfs/dbraw/zinc/81/96/01/1254819601.db2.gz 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1294744208 /nfs/dbraw/zinc/74/42/08/1294744208.db2.gz UBQJMYNACBIQIM-HIFRSBDPSA-N 1 2 347.850 2.153 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2ncc3cccnc32)CC[C@H]1C ZINC001071690020 1294744219 /nfs/dbraw/zinc/74/42/19/1294744219.db2.gz UBQJMYNACBIQIM-HIFRSBDPSA-N 1 2 347.850 2.153 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)c2n[nH]cc2F)C[N@@H+]1Cc1ccccc1C#N ZINC001071800007 1294854486 /nfs/dbraw/zinc/85/44/86/1294854486.db2.gz PTVCMWQBTMSVNW-DOMZBBRYSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)c2n[nH]cc2F)C[N@H+]1Cc1ccccc1C#N ZINC001071800007 1294854493 /nfs/dbraw/zinc/85/44/93/1294854493.db2.gz PTVCMWQBTMSVNW-DOMZBBRYSA-N 1 2 341.390 2.203 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2cc(Cl)cn2)CC[C@H]1C ZINC001071855214 1294933880 /nfs/dbraw/zinc/93/38/80/1294933880.db2.gz MRSNORVYDLEUHQ-YPMHNXCESA-N 1 2 331.247 2.258 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2cc(Cl)cn2)CC[C@H]1C ZINC001071855214 1294933886 /nfs/dbraw/zinc/93/38/86/1294933886.db2.gz MRSNORVYDLEUHQ-YPMHNXCESA-N 1 2 331.247 2.258 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccnc(N(C)C)c2)CC[C@H]1C ZINC001071865912 1294950528 /nfs/dbraw/zinc/95/05/28/1294950528.db2.gz OJSPEJBBIQAEHF-HIFRSBDPSA-N 1 2 336.867 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccnc(N(C)C)c2)CC[C@H]1C ZINC001071865912 1294950532 /nfs/dbraw/zinc/95/05/32/1294950532.db2.gz OJSPEJBBIQAEHF-HIFRSBDPSA-N 1 2 336.867 2.483 20 30 EEEDLO C=CC[N@H+]1C[C@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)CC[C@@H]1C ZINC001071960942 1295047675 /nfs/dbraw/zinc/04/76/75/1295047675.db2.gz JPFDNLUCQYJKGB-XJKSGUPXSA-N 1 2 325.416 2.240 20 30 EEEDLO C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)CC[C@@H]1C ZINC001071960942 1295047687 /nfs/dbraw/zinc/04/76/87/1295047687.db2.gz JPFDNLUCQYJKGB-XJKSGUPXSA-N 1 2 325.416 2.240 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2)C[C@H]1C ZINC001211420954 1295886426 /nfs/dbraw/zinc/88/64/26/1295886426.db2.gz YIXPTFWAHAZOHK-UKRRQHHQSA-N 1 2 337.851 2.264 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](Cc2ccnc(Cl)c2)C[C@H]1C ZINC001211420954 1295886434 /nfs/dbraw/zinc/88/64/34/1295886434.db2.gz YIXPTFWAHAZOHK-UKRRQHHQSA-N 1 2 337.851 2.264 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2c(F)cccc2F)C[C@H]1C ZINC001211425337 1295888713 /nfs/dbraw/zinc/88/87/13/1295888713.db2.gz LFYHLOXWVCGAFK-IIYDPXPESA-N 1 2 338.398 2.492 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2c(F)cccc2F)C[C@H]1C ZINC001211425337 1295888724 /nfs/dbraw/zinc/88/87/24/1295888724.db2.gz LFYHLOXWVCGAFK-IIYDPXPESA-N 1 2 338.398 2.492 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001213350248 1295987306 /nfs/dbraw/zinc/98/73/06/1295987306.db2.gz OLXHNGGLTYEQGN-HZPDHXFCSA-N 1 2 333.457 2.291 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001213350248 1295987311 /nfs/dbraw/zinc/98/73/11/1295987311.db2.gz OLXHNGGLTYEQGN-HZPDHXFCSA-N 1 2 333.457 2.291 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OCC)n2)C[C@H]1OC ZINC001213350116 1295987853 /nfs/dbraw/zinc/98/78/53/1295987853.db2.gz IBHQBUAGKCNVCA-IAGOWNOFSA-N 1 2 347.459 2.152 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(OCC)n2)C[C@H]1OC ZINC001213350116 1295987868 /nfs/dbraw/zinc/98/78/68/1295987868.db2.gz IBHQBUAGKCNVCA-IAGOWNOFSA-N 1 2 347.459 2.152 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001213496661 1296053355 /nfs/dbraw/zinc/05/33/55/1296053355.db2.gz WEGIMZXXVYHZAH-QZTJIDSGSA-N 1 2 341.455 2.476 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001213496661 1296053362 /nfs/dbraw/zinc/05/33/62/1296053362.db2.gz WEGIMZXXVYHZAH-QZTJIDSGSA-N 1 2 341.455 2.476 20 30 EEEDLO C=C1CCC(C(=O)N2CC3(C2)CC[N@H+](Cc2ncccn2)C3)CC1 ZINC001072946873 1296350152 /nfs/dbraw/zinc/35/01/52/1296350152.db2.gz RKPBHTDBRYJKNG-UHFFFAOYSA-N 1 2 326.444 2.257 20 30 EEEDLO C=C1CCC(C(=O)N2CC3(C2)CC[N@@H+](Cc2ncccn2)C3)CC1 ZINC001072946873 1296350167 /nfs/dbraw/zinc/35/01/67/1296350167.db2.gz RKPBHTDBRYJKNG-UHFFFAOYSA-N 1 2 326.444 2.257 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(C)n3)C[C@H]21)OCC ZINC001114358062 1296476461 /nfs/dbraw/zinc/47/64/61/1296476461.db2.gz OVKSKABISHFMSB-HPFXQQBRSA-N 1 2 349.500 2.369 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]21)OCC ZINC001114358062 1296476472 /nfs/dbraw/zinc/47/64/72/1296476472.db2.gz OVKSKABISHFMSB-HPFXQQBRSA-N 1 2 349.500 2.369 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001073446448 1297064532 /nfs/dbraw/zinc/06/45/32/1297064532.db2.gz PKWBAEAOHJSTTO-OAHLLOKOSA-N 1 2 346.475 2.229 20 30 EEEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001219340875 1297988337 /nfs/dbraw/zinc/98/83/37/1297988337.db2.gz QSSWJRKYFWVCNZ-IPELMVKDSA-N 1 2 346.446 2.165 20 30 EEEDLO CCC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001219340875 1297988338 /nfs/dbraw/zinc/98/83/38/1297988338.db2.gz QSSWJRKYFWVCNZ-IPELMVKDSA-N 1 2 346.446 2.165 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc4ccccc43)C[C@H]21 ZINC001074288870 1297992549 /nfs/dbraw/zinc/99/25/49/1297992549.db2.gz KSJYJMBOEOMZAE-WOJBJXKFSA-N 1 2 349.434 2.173 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc4ccccc43)C[C@H]21 ZINC001074288870 1297992551 /nfs/dbraw/zinc/99/25/51/1297992551.db2.gz KSJYJMBOEOMZAE-WOJBJXKFSA-N 1 2 349.434 2.173 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc[nH]c3C(C)C)C[C@H]21 ZINC001074319793 1298023755 /nfs/dbraw/zinc/02/37/55/1298023755.db2.gz SRDWANMAUJCDAT-SJORKVTESA-N 1 2 329.444 2.077 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc[nH]c3C(C)C)C[C@H]21 ZINC001074319793 1298023763 /nfs/dbraw/zinc/02/37/63/1298023763.db2.gz SRDWANMAUJCDAT-SJORKVTESA-N 1 2 329.444 2.077 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3CCC(F)(F)CC3)C[C@@H]21 ZINC001074343502 1298053267 /nfs/dbraw/zinc/05/32/67/1298053267.db2.gz NXUNUTHJDWTWBZ-HOTGVXAUSA-N 1 2 340.414 2.137 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CCC(F)(F)CC3)C[C@@H]21 ZINC001074343502 1298053280 /nfs/dbraw/zinc/05/32/80/1298053280.db2.gz NXUNUTHJDWTWBZ-HOTGVXAUSA-N 1 2 340.414 2.137 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)C[C@@H]1O ZINC001219539295 1298054537 /nfs/dbraw/zinc/05/45/37/1298054537.db2.gz DZARNOPENUGFLF-SJORKVTESA-N 1 2 334.847 2.113 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@@H]1O ZINC001219539295 1298054550 /nfs/dbraw/zinc/05/45/50/1298054550.db2.gz DZARNOPENUGFLF-SJORKVTESA-N 1 2 334.847 2.113 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C)c(F)c3F)C[C@@H]21 ZINC001074343558 1298056355 /nfs/dbraw/zinc/05/63/55/1298056355.db2.gz OUXHYYGZMJXEMR-HOTGVXAUSA-N 1 2 348.393 2.212 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C)c(F)c3F)C[C@@H]21 ZINC001074343558 1298056365 /nfs/dbraw/zinc/05/63/65/1298056365.db2.gz OUXHYYGZMJXEMR-HOTGVXAUSA-N 1 2 348.393 2.212 20 30 EEEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001220834740 1298551342 /nfs/dbraw/zinc/55/13/42/1298551342.db2.gz KPYPNMOKUAVRCT-SJORKVTESA-N 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/nfs/dbraw/zinc/40/47/45/1324404745.db2.gz KAKLNJVLFIIMKN-CQSZACIVSA-N 1 2 343.452 2.092 20 30 EEEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cncc2sccc21 ZINC001316605302 1324404751 /nfs/dbraw/zinc/40/47/51/1324404751.db2.gz KAKLNJVLFIIMKN-CQSZACIVSA-N 1 2 343.452 2.092 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CC(=C)C1 ZINC001316606598 1324556368 /nfs/dbraw/zinc/55/63/68/1324556368.db2.gz WJLWSHXGZOTPHH-QGZVFWFLSA-N 1 2 347.503 2.300 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CC(=C)C1 ZINC001316606598 1324556371 /nfs/dbraw/zinc/55/63/71/1324556371.db2.gz WJLWSHXGZOTPHH-QGZVFWFLSA-N 1 2 347.503 2.300 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C1(CF)CC1 ZINC001208563253 1324562942 /nfs/dbraw/zinc/56/29/42/1324562942.db2.gz IQUHNNPJQIOZDZ-MLGOLLRUSA-N 1 2 333.382 2.384 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C1(CF)CC1 ZINC001208563253 1324562945 /nfs/dbraw/zinc/56/29/45/1324562945.db2.gz IQUHNNPJQIOZDZ-MLGOLLRUSA-N 1 2 333.382 2.384 20 30 EEEDLO C=CCC1(C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(CC)o3)C2)CCC1 ZINC001209503965 1324950277 /nfs/dbraw/zinc/95/02/77/1324950277.db2.gz OGSSJSNZZRPGIR-CQSZACIVSA-N 1 2 332.448 2.459 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cccc2)C1 ZINC001209713282 1325018436 /nfs/dbraw/zinc/01/84/36/1325018436.db2.gz FRKMEHCRWOSPML-TZMCWYRMSA-N 1 2 340.265 2.223 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cccc2)C1 ZINC001209713282 1325018441 /nfs/dbraw/zinc/01/84/41/1325018441.db2.gz FRKMEHCRWOSPML-TZMCWYRMSA-N 1 2 340.265 2.223 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3noc(CCC)n3)C2)C1 ZINC001316620071 1325715105 /nfs/dbraw/zinc/71/51/05/1325715105.db2.gz BZPDRWQNKQBXCZ-OKILXGFUSA-N 1 2 332.448 2.363 20 30 EEEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@](C)(c2cccc(Cl)c2)C1=O ZINC001322962541 1333359336 /nfs/dbraw/zinc/35/93/36/1333359336.db2.gz UKGLBEYQWHLGAX-GOSISDBHSA-N 1 2 345.830 2.410 20 30 EEEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@](C)(c2cccc(Cl)c2)C1=O ZINC001322962541 1333359339 /nfs/dbraw/zinc/35/93/39/1333359339.db2.gz UKGLBEYQWHLGAX-GOSISDBHSA-N 1 2 345.830 2.410 20 30 EEEDLO CCCCCCCNC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001331607651 1335044778 /nfs/dbraw/zinc/04/47/78/1335044778.db2.gz UZAIXKIJWAUOLF-MRXNPFEDSA-N 1 2 348.491 2.288 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC001335885969 1336442709 /nfs/dbraw/zinc/44/27/09/1336442709.db2.gz UKXVCBDYHQQMBH-OAHLLOKOSA-N 1 2 349.406 2.070 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC=C(C)CC1 ZINC001346356165 1337483351 /nfs/dbraw/zinc/48/33/51/1337483351.db2.gz QPUVOPKHQWFACG-UHFFFAOYSA-N 1 2 345.491 2.215 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C(F)(F)F)[C@H](O)C1 ZINC001100090449 1338003955 /nfs/dbraw/zinc/00/39/55/1338003955.db2.gz UQWFUTHDENOGDI-GHMZBOCLSA-N 1 2 342.789 2.269 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C(F)(F)F)[C@H](O)C1 ZINC001100090449 1338003959 /nfs/dbraw/zinc/00/39/59/1338003959.db2.gz UQWFUTHDENOGDI-GHMZBOCLSA-N 1 2 342.789 2.269 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC1CC([NH2+]Cc2noc(C3CCCCC3)n2)C1 ZINC001100191700 1338134005 /nfs/dbraw/zinc/13/40/05/1338134005.db2.gz ULIHYDGHAFSQPI-OPFPJEHXSA-N 1 2 345.447 2.261 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(C(C)(F)F)n2Cc2ccccc2)CC1 ZINC001354213713 1338454761 /nfs/dbraw/zinc/45/47/61/1338454761.db2.gz NNGSVVWJEGYMAT-UHFFFAOYSA-N 1 2 345.397 2.193 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCCCCc2c[nH]nn2)C1 ZINC001575052991 1343725221 /nfs/dbraw/zinc/72/52/21/1343725221.db2.gz CHOFTGDOTRKIGJ-OAHLLOKOSA-N 1 2 339.871 2.193 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCCCCc2c[nH]nn2)C1 ZINC001575052991 1343725224 /nfs/dbraw/zinc/72/52/24/1343725224.db2.gz CHOFTGDOTRKIGJ-OAHLLOKOSA-N 1 2 339.871 2.193 20 30 EEEDLO CC(C)C#CC(=O)N(Cc1cnn[nH]1)C1CC[NH+](CCC(C)C)CC1 ZINC001575318986 1343774991 /nfs/dbraw/zinc/77/49/91/1343774991.db2.gz UZAZSYXTLLKWEU-UHFFFAOYSA-N 1 2 345.491 2.303 20 30 EEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2cc(CC#N)ccn2)C1 ZINC001647387116 1353255592 /nfs/dbraw/zinc/25/55/92/1353255592.db2.gz HZGQSALZSJDBFV-HNNXBMFYSA-N 1 2 338.415 2.368 20 30 EEEDLO C=CCCCC(=O)N1CCCO[C@@H](C[NH2+][C@H](C)c2nnc(C)o2)C1 ZINC001201294160 1368802737 /nfs/dbraw/zinc/80/27/37/1368802737.db2.gz SEFKMYIUHJZNTD-HIFRSBDPSA-N 1 2 336.436 2.002 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(C)n1 ZINC001110594502 1369116137 /nfs/dbraw/zinc/11/61/37/1369116137.db2.gz YPXWGWZOXGTVCL-KURKYZTESA-N 1 2 328.460 2.410 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(C)n1 ZINC001110594502 1369116148 /nfs/dbraw/zinc/11/61/48/1369116148.db2.gz YPXWGWZOXGTVCL-KURKYZTESA-N 1 2 328.460 2.410 20 30 EEEDLO Cc1ccccc1[C@]1(C)NC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525536 1369346283 /nfs/dbraw/zinc/34/62/83/1369346283.db2.gz YBPWPEVHWZFDQW-BEFAXECRSA-N 1 2 340.427 2.345 20 30 EEEDLO Cc1ccccc1[C@]1(C)NC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525536 1369346293 /nfs/dbraw/zinc/34/62/93/1369346293.db2.gz YBPWPEVHWZFDQW-BEFAXECRSA-N 1 2 340.427 2.345 20 30 EEEDLO C=CC[C@H]1CCC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000853536280 1369348395 /nfs/dbraw/zinc/34/83/95/1369348395.db2.gz RGENPOHTBNZKAD-LBPRGKRZSA-N 1 2 329.356 2.436 20 30 EEEDLO C=CC[C@H]1CCC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000853536280 1369348400 /nfs/dbraw/zinc/34/84/00/1369348400.db2.gz RGENPOHTBNZKAD-LBPRGKRZSA-N 1 2 329.356 2.436 20 30 EEEDLO C=CCOC[C@@H](O)CNc1ccc2[nH+]cc(Br)n2c1 ZINC001252455565 1369393603 /nfs/dbraw/zinc/39/36/03/1369393603.db2.gz CWQLLVGOXVFLCA-NSHDSACASA-N 1 2 326.194 2.072 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001069509810 1370162267 /nfs/dbraw/zinc/16/22/67/1370162267.db2.gz CPRRCSUOMDTNPV-CHWSQXEVSA-N 1 2 341.390 2.360 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001069778395 1370257005 /nfs/dbraw/zinc/25/70/05/1370257005.db2.gz TXTYEYOLRIIBEZ-LJQANCHMSA-N 1 2 344.459 2.081 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccnc(C)c1)C[C@H](C)O2 ZINC001071221533 1370427490 /nfs/dbraw/zinc/42/74/90/1370427490.db2.gz QZNNCSMUNWYSBG-YJBOKZPZSA-N 1 2 349.862 2.448 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ccnc(C)c1)C[C@H](C)O2 ZINC001071221533 1370427498 /nfs/dbraw/zinc/42/74/98/1370427498.db2.gz QZNNCSMUNWYSBG-YJBOKZPZSA-N 1 2 349.862 2.448 20 30 EEEDLO C=CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001072632698 1370765987 /nfs/dbraw/zinc/76/59/87/1370765987.db2.gz OLOBXFDGXKRTRU-GOEBONIOSA-N 1 2 346.475 2.246 20 30 EEEDLO CC#CCCCC(=O)N[C@@H](C)CCCNc1[nH+]cnc2c1cnn2C ZINC001115045312 1371498681 /nfs/dbraw/zinc/49/86/81/1371498681.db2.gz OKDJSOOYTNUKBM-AWEZNQCLSA-N 1 2 342.447 2.254 20 30 EEEDLO C[C@H](CCCNc1ccc(C#N)nc1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001115099477 1371518877 /nfs/dbraw/zinc/51/88/77/1371518877.db2.gz AFJJUBLRZNIMJB-ZIAGYGMSSA-N 1 2 340.431 2.252 20 30 EEEDLO C[C@H](CCCNc1ccc(C#N)nc1)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001115099477 1371518885 /nfs/dbraw/zinc/51/88/85/1371518885.db2.gz AFJJUBLRZNIMJB-ZIAGYGMSSA-N 1 2 340.431 2.252 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)Cc1cccc(=O)[nH]1 ZINC001121624295 1371908797 /nfs/dbraw/zinc/90/87/97/1371908797.db2.gz XCWSQOAYSIVFFA-UHFFFAOYSA-N 1 2 342.447 2.187 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](C(=O)OCC)C1 ZINC001122440654 1372003424 /nfs/dbraw/zinc/00/34/24/1372003424.db2.gz HTSIYNFDASHNJH-CABCVRRESA-N 1 2 347.463 2.010 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](C(=O)OCC)C1 ZINC001122440654 1372003464 /nfs/dbraw/zinc/00/34/64/1372003464.db2.gz HTSIYNFDASHNJH-CABCVRRESA-N 1 2 347.463 2.010 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001122612943 1372063949 /nfs/dbraw/zinc/06/39/49/1372063949.db2.gz MOIQMSHDOYZWHE-AWEZNQCLSA-N 1 2 332.448 2.154 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H](Oc3nccc(OC)n3)C2)c(C#N)c1 ZINC001137706606 1372255306 /nfs/dbraw/zinc/25/53/06/1372255306.db2.gz JIYPFJBRYWZPSW-MRXNPFEDSA-N 1 2 340.383 2.019 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H](Oc3nccc(OC)n3)C2)c(C#N)c1 ZINC001137706606 1372255312 /nfs/dbraw/zinc/25/53/12/1372255312.db2.gz JIYPFJBRYWZPSW-MRXNPFEDSA-N 1 2 340.383 2.019 20 30 EEEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2[nH]nc3ccc(OC)cc32)C1 ZINC001140071727 1372540081 /nfs/dbraw/zinc/54/00/81/1372540081.db2.gz WQVWQAGNFAYCRL-CYBMUJFWSA-N 1 2 344.415 2.448 20 30 EEEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2[nH]nc3ccc(OC)cc32)C1 ZINC001140071727 1372540084 /nfs/dbraw/zinc/54/00/84/1372540084.db2.gz WQVWQAGNFAYCRL-CYBMUJFWSA-N 1 2 344.415 2.448 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@H](CC)C1 ZINC001356380357 1373198741 /nfs/dbraw/zinc/19/87/41/1373198741.db2.gz AJDJUHVHRGEXGB-INIZCTEOSA-N 1 2 347.507 2.295 20 30 EEEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)C[C@H]1CCCOC1 ZINC001367549381 1374209166 /nfs/dbraw/zinc/20/91/66/1374209166.db2.gz CUIDUYZBIJZEGA-MRXNPFEDSA-N 1 2 347.434 2.404 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)C[C@H]1CCCOC1 ZINC001367549381 1374209170 /nfs/dbraw/zinc/20/91/70/1374209170.db2.gz CUIDUYZBIJZEGA-MRXNPFEDSA-N 1 2 347.434 2.404 20 30 EEEDLO C[C@@H](C[N@H+](C)Cc1cc(C#N)ccc1F)NC(=O)c1ncccc1O ZINC001367793598 1374268402 /nfs/dbraw/zinc/26/84/02/1374268402.db2.gz JFTJTNXYFFBTPB-LBPRGKRZSA-N 1 2 342.374 2.048 20 30 EEEDLO C[C@@H](C[N@@H+](C)Cc1cc(C#N)ccc1F)NC(=O)c1ncccc1O ZINC001367793598 1374268406 /nfs/dbraw/zinc/26/84/06/1374268406.db2.gz JFTJTNXYFFBTPB-LBPRGKRZSA-N 1 2 342.374 2.048 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1cccc(OCC)n1 ZINC001367825781 1374277173 /nfs/dbraw/zinc/27/71/73/1374277173.db2.gz NVXUDPKQAJSKGM-CYBMUJFWSA-N 1 2 325.840 2.212 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1cccc(OCC)n1 ZINC001367825781 1374277176 /nfs/dbraw/zinc/27/71/76/1374277176.db2.gz NVXUDPKQAJSKGM-CYBMUJFWSA-N 1 2 325.840 2.212 20 30 EEEDLO Cc1noc(C)c1CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001367972943 1374316851 /nfs/dbraw/zinc/31/68/51/1374316851.db2.gz BAHRMOJWGMSMER-CYBMUJFWSA-N 1 2 344.440 2.158 20 30 EEEDLO Cc1noc(C)c1CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001367972943 1374316857 /nfs/dbraw/zinc/31/68/57/1374316857.db2.gz BAHRMOJWGMSMER-CYBMUJFWSA-N 1 2 344.440 2.158 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)CCc3ccon3)C2)c1 ZINC001378069055 1379681689 /nfs/dbraw/zinc/68/16/89/1379681689.db2.gz HHITWDCNWXJRJE-INIZCTEOSA-N 1 2 342.374 2.009 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)CCc3ccon3)C2)c1 ZINC001378069055 1379681695 /nfs/dbraw/zinc/68/16/95/1379681695.db2.gz HHITWDCNWXJRJE-INIZCTEOSA-N 1 2 342.374 2.009 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cccc(C(=O)N(C)C)c1 ZINC001378187314 1379768283 /nfs/dbraw/zinc/76/82/83/1379768283.db2.gz NIFWVPRMOPCDHK-CYBMUJFWSA-N 1 2 337.851 2.191 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cccc(C(=O)N(C)C)c1 ZINC001378187314 1379768287 /nfs/dbraw/zinc/76/82/87/1379768287.db2.gz NIFWVPRMOPCDHK-CYBMUJFWSA-N 1 2 337.851 2.191 20 30 EEEDLO C[C@H](C#N)C(=O)NCc1ccc(C[NH2+][C@@H](C)c2ncccn2)cc1F ZINC001382597965 1382142846 /nfs/dbraw/zinc/14/28/46/1382142846.db2.gz KMXYYPVJHGNTFX-OLZOCXBDSA-N 1 2 341.390 2.242 20 30 EEEDLO C=CCCC(=O)NCC[NH+]1CCN(CCc2ccccc2F)CC1 ZINC001752364089 1406287515 /nfs/dbraw/zinc/28/75/15/1406287515.db2.gz XFQGRCXZRDRGIP-UHFFFAOYSA-N 1 2 333.451 2.068 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001752386871 1406293039 /nfs/dbraw/zinc/29/30/39/1406293039.db2.gz YWNALHBKMVJPMX-QGZVFWFLSA-N 1 2 339.439 2.307 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001752386871 1406293044 /nfs/dbraw/zinc/29/30/44/1406293044.db2.gz YWNALHBKMVJPMX-QGZVFWFLSA-N 1 2 339.439 2.307 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cnn3ncccc23)C1 ZINC001391279518 1389196774 /nfs/dbraw/zinc/19/67/74/1389196774.db2.gz ZCYBEFOPNSXCEF-CQSZACIVSA-N 1 2 347.850 2.408 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cnn3ncccc23)C1 ZINC001391279518 1389196776 /nfs/dbraw/zinc/19/67/76/1389196776.db2.gz ZCYBEFOPNSXCEF-CQSZACIVSA-N 1 2 347.850 2.408 20 30 EEEDLO CC(C)CO[C@H](C)C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001391474010 1389382639 /nfs/dbraw/zinc/38/26/39/1389382639.db2.gz FPAIQXZQLZJCRY-OAHLLOKOSA-N 1 2 329.444 2.167 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)Cc2ccc(OC)cn2)C1 ZINC001391644370 1389495496 /nfs/dbraw/zinc/49/54/96/1389495496.db2.gz BUKOKWSKWOMHNW-HNNXBMFYSA-N 1 2 337.851 2.308 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)Cc2ccc(OC)cn2)C1 ZINC001391644370 1389495502 /nfs/dbraw/zinc/49/55/02/1389495502.db2.gz BUKOKWSKWOMHNW-HNNXBMFYSA-N 1 2 337.851 2.308 20 30 EEEDLO C#Cc1ccccc1CC(=O)NCC1C[NH+]([C@@H](C)c2cnc(C)cn2)C1 ZINC001753414956 1406737936 /nfs/dbraw/zinc/73/79/36/1406737936.db2.gz WDYPXTFACBADHU-INIZCTEOSA-N 1 2 348.450 2.118 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001399748296 1395476234 /nfs/dbraw/zinc/47/62/34/1395476234.db2.gz JXJFMWZTLUDURA-GFCCVEGCSA-N 1 2 341.805 2.061 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001399748296 1395476241 /nfs/dbraw/zinc/47/62/41/1395476241.db2.gz JXJFMWZTLUDURA-GFCCVEGCSA-N 1 2 341.805 2.061 20 30 EEEDLO C[C@H](c1ccc(F)cc1)N1CC[NH+](CCN(C)C(=O)[C@@H](C)C#N)CC1 ZINC001400207335 1396050850 /nfs/dbraw/zinc/05/08/50/1396050850.db2.gz VLLDLKDMPHMDIY-JKSUJKDBSA-N 1 2 346.450 2.122 20 30 EEEDLO CCO[C@@H](CC)C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001401350974 1397180700 /nfs/dbraw/zinc/18/07/00/1397180700.db2.gz AEJWKHCEHJJAAK-KRWDZBQOSA-N 1 2 335.423 2.403 20 30 EEEDLO CCO[C@@H](CC)C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001401350974 1397180705 /nfs/dbraw/zinc/18/07/05/1397180705.db2.gz AEJWKHCEHJJAAK-KRWDZBQOSA-N 1 2 335.423 2.403 20 30 EEEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)c1ccc(F)cn1 ZINC001401362724 1397192432 /nfs/dbraw/zinc/19/24/32/1397192432.db2.gz NKSFVCSYVVZMTO-UHFFFAOYSA-N 1 2 344.365 2.435 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)c1ccc(F)cn1 ZINC001401362724 1397192438 /nfs/dbraw/zinc/19/24/38/1397192438.db2.gz NKSFVCSYVVZMTO-UHFFFAOYSA-N 1 2 344.365 2.435 20 30 EEEDLO CCOCC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001402149069 1397796410 /nfs/dbraw/zinc/79/64/10/1397796410.db2.gz HGXSDVSPHWODSB-GOSISDBHSA-N 1 2 341.455 2.456 20 30 EEEDLO CCOCC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001402149069 1397796415 /nfs/dbraw/zinc/79/64/15/1397796415.db2.gz HGXSDVSPHWODSB-GOSISDBHSA-N 1 2 341.455 2.456 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc3occc3s2)C1 ZINC001402293995 1397918047 /nfs/dbraw/zinc/91/80/47/1397918047.db2.gz PXYLMQTVDWOIDG-OAHLLOKOSA-N 1 2 340.832 2.413 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc3occc3s2)C1 ZINC001402293995 1397918051 /nfs/dbraw/zinc/91/80/51/1397918051.db2.gz PXYLMQTVDWOIDG-OAHLLOKOSA-N 1 2 340.832 2.413 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)COc1ccccc1CC)O2 ZINC001755056951 1407064588 /nfs/dbraw/zinc/06/45/88/1407064588.db2.gz MRTVWVAOZUYHKW-KRWDZBQOSA-N 1 2 344.455 2.163 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](OC)C1CCC1 ZINC001755075643 1407086102 /nfs/dbraw/zinc/08/61/02/1407086102.db2.gz KZQJJZBKGCLFAE-VQTJNVASSA-N 1 2 340.467 2.368 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](OC)C1CCC1 ZINC001755075643 1407086109 /nfs/dbraw/zinc/08/61/09/1407086109.db2.gz KZQJJZBKGCLFAE-VQTJNVASSA-N 1 2 340.467 2.368 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)COCc2ncc(C)o2)[C@@H]1C ZINC001425919504 1401802955 /nfs/dbraw/zinc/80/29/55/1401802955.db2.gz AXULRVJUDLMOSP-KBPBESRZSA-N 1 2 341.839 2.221 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)COCc2ncc(C)o2)[C@@H]1C ZINC001425919504 1401802961 /nfs/dbraw/zinc/80/29/61/1401802961.db2.gz AXULRVJUDLMOSP-KBPBESRZSA-N 1 2 341.839 2.221 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H](C)[N@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC001755310902 1407309204 /nfs/dbraw/zinc/30/92/04/1407309204.db2.gz FMOIOSIHCHVQCE-ZDUSSCGKSA-N 1 2 335.423 2.413 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC001755310902 1407309208 /nfs/dbraw/zinc/30/92/08/1407309208.db2.gz FMOIOSIHCHVQCE-ZDUSSCGKSA-N 1 2 335.423 2.413 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC001731352943 1405843451 /nfs/dbraw/zinc/84/34/51/1405843451.db2.gz DNJOPTMEUKYRLK-FUHWJXTLSA-N 1 2 341.455 2.398 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC001731352943 1405843459 /nfs/dbraw/zinc/84/34/59/1405843459.db2.gz DNJOPTMEUKYRLK-FUHWJXTLSA-N 1 2 341.455 2.398 20 30 EEEDLO C=CC1(CC(=O)N[C@@H]2CCC[N@@H+](CC(=O)NCC)C2)CCCCC1 ZINC001731354837 1405845123 /nfs/dbraw/zinc/84/51/23/1405845123.db2.gz ZOLKAYIUEIAFCJ-MRXNPFEDSA-N 1 2 335.492 2.230 20 30 EEEDLO C=CC1(CC(=O)N[C@@H]2CCC[N@H+](CC(=O)NCC)C2)CCCCC1 ZINC001731354837 1405845131 /nfs/dbraw/zinc/84/51/31/1405845131.db2.gz ZOLKAYIUEIAFCJ-MRXNPFEDSA-N 1 2 335.492 2.230 20 30 EEEDLO C[N@H+](CCCNC(=O)c1ccc(C#N)[nH]1)Cc1ncc(C(C)(C)C)o1 ZINC001751962628 1406150653 /nfs/dbraw/zinc/15/06/53/1406150653.db2.gz JTVHTTREVLHRLU-UHFFFAOYSA-N 1 2 343.431 2.424 20 30 EEEDLO C[N@@H+](CCCNC(=O)c1ccc(C#N)[nH]1)Cc1ncc(C(C)(C)C)o1 ZINC001751962628 1406150656 /nfs/dbraw/zinc/15/06/56/1406150656.db2.gz JTVHTTREVLHRLU-UHFFFAOYSA-N 1 2 343.431 2.424 20 30 EEEDLO C#CCCCCC(=O)N1C[C@]2(C)C[N@@H+](Cc3nonc3C)C[C@]2(C)C1 ZINC001755460596 1407490825 /nfs/dbraw/zinc/49/08/25/1407490825.db2.gz PWMZVJDHOXLADF-KDURUIRLSA-N 1 2 344.459 2.242 20 30 EEEDLO C#CCCCCC(=O)N1C[C@]2(C)C[N@H+](Cc3nonc3C)C[C@]2(C)C1 ZINC001755460596 1407490832 /nfs/dbraw/zinc/49/08/32/1407490832.db2.gz PWMZVJDHOXLADF-KDURUIRLSA-N 1 2 344.459 2.242 20 30 EEEDLO CC#CCCCC(=O)N1C[C@]2(C)C[N@H+](Cc3cnns3)C[C@]2(C)C1 ZINC001755461721 1407494643 /nfs/dbraw/zinc/49/46/43/1407494643.db2.gz DURLSMRHMOQVDG-HDICACEKSA-N 1 2 346.500 2.402 20 30 EEEDLO CC#CCCCC(=O)N1C[C@]2(C)C[N@@H+](Cc3cnns3)C[C@]2(C)C1 ZINC001755461721 1407494647 /nfs/dbraw/zinc/49/46/47/1407494647.db2.gz DURLSMRHMOQVDG-HDICACEKSA-N 1 2 346.500 2.402 20 30 EEEDLO O=C(N[C@H]1C[C@H](C[NH2+]CC#Cc2ccccc2)C1)C(F)C(F)(F)F ZINC001755471441 1407507443 /nfs/dbraw/zinc/50/74/43/1407507443.db2.gz NJRBYLPUJMIRRF-KKUMJFAQSA-N 1 2 342.336 2.423 20 30 EEEDLO O=C(N[C@H]1C[C@H](C[NH2+]CC#Cc2ccccc2)C1)[C@H](F)C(F)(F)F ZINC001755471441 1407507450 /nfs/dbraw/zinc/50/74/50/1407507450.db2.gz NJRBYLPUJMIRRF-KKUMJFAQSA-N 1 2 342.336 2.423 20 30 EEEDLO CC#CCCCC(=O)N1C[C@@H]([NH2+]Cc2nc(C3CC3)no2)C(C)(C)C1 ZINC001755775242 1407834228 /nfs/dbraw/zinc/83/42/28/1407834228.db2.gz OVEVIRJNQQRHIV-OAHLLOKOSA-N 1 2 344.459 2.467 20 30 EEEDLO CC(C)(C)C(=O)C(=O)NCC1=CC[N@H+](CC#Cc2ccccc2)CC1 ZINC001755884019 1407941927 /nfs/dbraw/zinc/94/19/27/1407941927.db2.gz GIHRAHUHCZTYIU-UHFFFAOYSA-N 1 2 338.451 2.402 20 30 EEEDLO CC(C)(C)C(=O)C(=O)NCC1=CC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001755884019 1407941931 /nfs/dbraw/zinc/94/19/31/1407941931.db2.gz GIHRAHUHCZTYIU-UHFFFAOYSA-N 1 2 338.451 2.402 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC001756182436 1408206834 /nfs/dbraw/zinc/20/68/34/1408206834.db2.gz AJRNJLYAAXFYLX-IIAWOOMASA-N 1 2 344.459 2.223 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC001756182436 1408206836 /nfs/dbraw/zinc/20/68/36/1408206836.db2.gz AJRNJLYAAXFYLX-IIAWOOMASA-N 1 2 344.459 2.223 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)CCC1 ZINC001756233874 1408242473 /nfs/dbraw/zinc/24/24/73/1408242473.db2.gz NTWYGSSCGYBOCI-HOTGVXAUSA-N 1 2 344.459 2.173 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001757074368 1409568011 /nfs/dbraw/zinc/56/80/11/1409568011.db2.gz WPFAPESSFKRPRL-SQWLQELKSA-N 1 2 346.475 2.154 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001757074368 1409568016 /nfs/dbraw/zinc/56/80/16/1409568016.db2.gz WPFAPESSFKRPRL-SQWLQELKSA-N 1 2 346.475 2.154 20 30 EEEDLO C=CCCCC(=O)NCC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001757382212 1409693352 /nfs/dbraw/zinc/69/33/52/1409693352.db2.gz WBAYTKKRVWYMFF-DOTOQJQBSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001122377635 1410275807 /nfs/dbraw/zinc/27/58/07/1410275807.db2.gz BKEMKPBFCAMDBS-DOMZBBRYSA-N 1 2 332.448 2.154 20 30 EEEDLO O=C(CCc1cccnc1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032503108 790272920 /nfs/dbraw/zinc/27/29/20/790272920.db2.gz FUYWRXQKZVLLST-SFTDATJTSA-N 1 2 345.446 2.351 20 30 EEEDLO O=C(CCc1cccnc1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032503108 790272923 /nfs/dbraw/zinc/27/29/23/790272923.db2.gz FUYWRXQKZVLLST-SFTDATJTSA-N 1 2 345.446 2.351 20 30 EEEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2[nH]nc3c2C[C@H](C)CC3)[C@H]1CC ZINC001087780336 782237259 /nfs/dbraw/zinc/23/72/59/782237259.db2.gz BTJBAQYZRDVAKY-XOKHGSTOSA-N 1 2 328.460 2.141 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3c2C[C@H](C)CC3)[C@H]1CC ZINC001087780336 782237270 /nfs/dbraw/zinc/23/72/70/782237270.db2.gz BTJBAQYZRDVAKY-XOKHGSTOSA-N 1 2 328.460 2.141 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001105979729 790313028 /nfs/dbraw/zinc/31/30/28/790313028.db2.gz AJEGBHYAUZPZMN-AWEZNQCLSA-N 1 2 346.475 2.155 20 30 EEEDLO N#Cc1cccnc1NC1(CNC(=O)CCc2c[nH]c[nH+]2)CCCC1 ZINC001104437150 760836170 /nfs/dbraw/zinc/83/61/70/760836170.db2.gz IEKSFWACBPBXAK-UHFFFAOYSA-N 1 2 338.415 2.150 20 30 EEEDLO N#Cc1cccnc1NC1(CNC(=O)CCc2c[nH+]c[nH]2)CCCC1 ZINC001104437150 760836182 /nfs/dbraw/zinc/83/61/82/760836182.db2.gz IEKSFWACBPBXAK-UHFFFAOYSA-N 1 2 338.415 2.150 20 30 EEEDLO C[N@H+](Cc1ccccc1)[C@@H](CO)c1nc(-c2ccc(C#N)cn2)no1 ZINC001211574284 760958077 /nfs/dbraw/zinc/95/80/77/760958077.db2.gz PEKHGSOHAKPXAS-INIZCTEOSA-N 1 2 335.367 2.169 20 30 EEEDLO C[N@@H+](Cc1ccccc1)[C@@H](CO)c1nc(-c2ccc(C#N)cn2)no1 ZINC001211574284 760958082 /nfs/dbraw/zinc/95/80/82/760958082.db2.gz PEKHGSOHAKPXAS-INIZCTEOSA-N 1 2 335.367 2.169 20 30 EEEDLO C[C@H]([NH2+]CCNC(=O)c1ccc(C#N)[nH]1)c1ncc(C(C)(C)C)o1 ZINC001125818329 761740228 /nfs/dbraw/zinc/74/02/28/761740228.db2.gz FIQVXTWUSABERX-NSHDSACASA-N 1 2 329.404 2.252 20 30 EEEDLO C#CCOc1ccc(C(=O)N(C)[C@H](C)CNc2cc[nH+]c(C)n2)cc1 ZINC001104835405 765392011 /nfs/dbraw/zinc/39/20/11/765392011.db2.gz RMQWKINCOFLLHO-CQSZACIVSA-N 1 2 338.411 2.370 20 30 EEEDLO C=CCCOCC(=O)N1CCC[C@H]([C@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001105079807 769014670 /nfs/dbraw/zinc/01/46/70/769014670.db2.gz SLGDXYJOBJHFDO-HOCLYGCPSA-N 1 2 332.448 2.417 20 30 EEEDLO Cc1nc(N[C@@H](CNC(=O)[C@H](C)C#N)C(C)C)c2c([nH+]1)CCCC2 ZINC001105137399 769134132 /nfs/dbraw/zinc/13/41/32/769134132.db2.gz FNVRLSOMMORTRD-WBMJQRKESA-N 1 2 329.448 2.376 20 30 EEEDLO CC(C)[C@H](CNC(=O)Cc1c[nH+]cn1C)Nc1cccc(F)c1C#N ZINC001105201499 769336161 /nfs/dbraw/zinc/33/61/61/769336161.db2.gz JFCTYJXKFPXYDN-KRWDZBQOSA-N 1 2 343.406 2.226 20 30 EEEDLO CC#CCCCC(=O)N[C@H](C)C[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001089455792 769392044 /nfs/dbraw/zinc/39/20/44/769392044.db2.gz RGLLKNVTTZNZGJ-ZIAGYGMSSA-N 1 2 342.447 2.252 20 30 EEEDLO Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)n1C ZINC001031546923 769521628 /nfs/dbraw/zinc/52/16/28/769521628.db2.gz CMGVLRCCGHMRIM-UHFFFAOYSA-N 1 2 340.402 2.206 20 30 EEEDLO C[C@H](O[NH+]=C(N)Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000072001952 782770700 /nfs/dbraw/zinc/77/07/00/782770700.db2.gz WGWKKXBUWYWGCO-LBPRGKRZSA-N 1 2 342.355 2.453 20 30 EEEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)CCC=C(C)C)C2)nn1 ZINC001105334271 769775111 /nfs/dbraw/zinc/77/51/11/769775111.db2.gz AAGLAMUUPDCKRZ-MRXNPFEDSA-N 1 2 343.475 2.157 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3cnn(CC)n3)CC[C@@H]2C1 ZINC001088064381 782841275 /nfs/dbraw/zinc/84/12/75/782841275.db2.gz BGNYVXSVUXAZCH-CVEARBPZSA-N 1 2 345.491 2.181 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(CC)n3)CC[C@@H]2C1 ZINC001088064381 782841283 /nfs/dbraw/zinc/84/12/83/782841283.db2.gz BGNYVXSVUXAZCH-CVEARBPZSA-N 1 2 345.491 2.181 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc[nH]c1C ZINC001027818020 770536629 /nfs/dbraw/zinc/53/66/29/770536629.db2.gz JCAMHXUZNJOQRL-GFCCVEGCSA-N 1 2 326.238 2.426 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc[nH]c1C ZINC001027818020 770536636 /nfs/dbraw/zinc/53/66/36/770536636.db2.gz JCAMHXUZNJOQRL-GFCCVEGCSA-N 1 2 326.238 2.426 20 30 EEEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031676779 770897743 /nfs/dbraw/zinc/89/77/43/770897743.db2.gz KWXDSIPQAPEWEF-OALUTQOASA-N 1 2 341.455 2.167 20 30 EEEDLO CCc1nc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)cs1 ZINC001027833005 770987878 /nfs/dbraw/zinc/98/78/78/770987878.db2.gz KIYXHTGXKSEOFT-CQSZACIVSA-N 1 2 343.456 2.300 20 30 EEEDLO CCc1nc(C[N@H+]2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)cs1 ZINC001027833005 770987887 /nfs/dbraw/zinc/98/78/87/770987887.db2.gz KIYXHTGXKSEOFT-CQSZACIVSA-N 1 2 343.456 2.300 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ncc(C)o1 ZINC001027890265 774062167 /nfs/dbraw/zinc/06/21/67/774062167.db2.gz VCHHNZQUFNQWOA-XHSDSOJGSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncc(C)o1 ZINC001027890265 774062173 /nfs/dbraw/zinc/06/21/73/774062173.db2.gz VCHHNZQUFNQWOA-XHSDSOJGSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]nnc1C ZINC001089677925 774232665 /nfs/dbraw/zinc/23/26/65/774232665.db2.gz GLVRDIHMYHDVAU-LBPRGKRZSA-N 1 2 325.844 2.086 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]nnc1C ZINC001089677925 774232668 /nfs/dbraw/zinc/23/26/68/774232668.db2.gz GLVRDIHMYHDVAU-LBPRGKRZSA-N 1 2 325.844 2.086 20 30 EEEDLO C=C1CCC(C(=O)NC2CCC(NC(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC000980329172 774366489 /nfs/dbraw/zinc/36/64/89/774366489.db2.gz GCELVASLPVKEOX-UHFFFAOYSA-N 1 2 344.459 2.173 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC000938940243 775013086 /nfs/dbraw/zinc/01/30/86/775013086.db2.gz ANZNSJXPNNNYFD-KRWDZBQOSA-N 1 2 344.459 2.079 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC000938984768 775089753 /nfs/dbraw/zinc/08/97/53/775089753.db2.gz YUPQZUFDFYDBRW-MRXNPFEDSA-N 1 2 344.459 2.066 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCOC3)CC2)c1 ZINC000980827653 775721543 /nfs/dbraw/zinc/72/15/43/775721543.db2.gz HQLZLYQIQYOUQO-MRXNPFEDSA-N 1 2 345.418 2.158 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)[C@@H]3CCCOC3)CC2)c1 ZINC000980827653 775721554 /nfs/dbraw/zinc/72/15/54/775721554.db2.gz HQLZLYQIQYOUQO-MRXNPFEDSA-N 1 2 345.418 2.158 20 30 EEEDLO Cc1ccnc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)n1 ZINC000981081057 776455572 /nfs/dbraw/zinc/45/55/72/776455572.db2.gz FFOIYWLEVXOOAR-UHFFFAOYSA-N 1 2 341.440 2.066 20 30 EEEDLO Cc1ccnc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)n1 ZINC000981081057 776455576 /nfs/dbraw/zinc/45/55/76/776455576.db2.gz FFOIYWLEVXOOAR-UHFFFAOYSA-N 1 2 341.440 2.066 20 30 EEEDLO C=C(C)CCC(=O)NCC1(NC(=O)c2cccc3[nH+]ccn32)CCC1 ZINC001063259635 790459100 /nfs/dbraw/zinc/45/91/00/790459100.db2.gz HLZAHRBYNOLMNX-UHFFFAOYSA-N 1 2 340.427 2.459 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(F)c(C#N)c3)CC2)CO1 ZINC000981488021 777503533 /nfs/dbraw/zinc/50/35/33/777503533.db2.gz USRNTTUESKQCRL-RHSMWYFYSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)CC2)CO1 ZINC000981488021 777503537 /nfs/dbraw/zinc/50/35/37/777503537.db2.gz USRNTTUESKQCRL-RHSMWYFYSA-N 1 2 345.418 2.157 20 30 EEEDLO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3c4cn[nH]c4CC[C@@H]3C)C2)C1 ZINC000981899462 778503780 /nfs/dbraw/zinc/50/37/80/778503780.db2.gz KLPCGWFKRQJUIU-WMLDXEAASA-N 1 2 328.460 2.186 20 30 EEEDLO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1)[C@H]1CCCO1 ZINC000981912054 778528282 /nfs/dbraw/zinc/52/82/82/778528282.db2.gz LIJHNQPSCIAJSP-RHSMWYFYSA-N 1 2 347.484 2.469 20 30 EEEDLO C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1)[C@H]1CCCO1 ZINC000981912054 778528284 /nfs/dbraw/zinc/52/82/84/778528284.db2.gz LIJHNQPSCIAJSP-RHSMWYFYSA-N 1 2 347.484 2.469 20 30 EEEDLO Cc1c[nH]c(C(=O)N2CCC[N@H+](Cc3cc(C#N)ccc3F)CC2)n1 ZINC000982139689 779162130 /nfs/dbraw/zinc/16/21/30/779162130.db2.gz YHCCMBNQBLBLIW-UHFFFAOYSA-N 1 2 341.390 2.077 20 30 EEEDLO Cc1c[nH]c(C(=O)N2CCC[N@@H+](Cc3cc(C#N)ccc3F)CC2)n1 ZINC000982139689 779162135 /nfs/dbraw/zinc/16/21/35/779162135.db2.gz YHCCMBNQBLBLIW-UHFFFAOYSA-N 1 2 341.390 2.077 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(CC)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106932647 779206764 /nfs/dbraw/zinc/20/67/64/779206764.db2.gz IPJNBIGCMCTVPV-IBGZPJMESA-N 1 2 345.491 2.327 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(CC)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106932647 779206769 /nfs/dbraw/zinc/20/67/69/779206769.db2.gz IPJNBIGCMCTVPV-IBGZPJMESA-N 1 2 345.491 2.327 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)c2nccs2)s1 ZINC001028222565 779371349 /nfs/dbraw/zinc/37/13/49/779371349.db2.gz QFVMPUJBIZWENS-LLVKDONJSA-N 1 2 332.454 2.471 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2nccs2)s1 ZINC001028222565 779371358 /nfs/dbraw/zinc/37/13/58/779371358.db2.gz QFVMPUJBIZWENS-LLVKDONJSA-N 1 2 332.454 2.471 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)c2ncc(C)o2)nc1 ZINC001028270037 779830569 /nfs/dbraw/zinc/83/05/69/779830569.db2.gz XDBAWGZKIPLYPC-HOCLYGCPSA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)c2ncc(C)o2)nc1 ZINC001028270037 779830572 /nfs/dbraw/zinc/83/05/72/779830572.db2.gz XDBAWGZKIPLYPC-HOCLYGCPSA-N 1 2 338.411 2.315 20 30 EEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000846988094 790798476 /nfs/dbraw/zinc/79/84/76/790798476.db2.gz RCJOZHOYWPRIHF-CQSZACIVSA-N 1 2 330.432 2.293 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000941481520 780577610 /nfs/dbraw/zinc/57/76/10/780577610.db2.gz IJCRFYUSIBLBEX-SPYBWZPUSA-N 1 2 344.459 2.176 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000941481520 780577618 /nfs/dbraw/zinc/57/76/18/780577618.db2.gz IJCRFYUSIBLBEX-SPYBWZPUSA-N 1 2 344.459 2.176 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ocnc2C)C1 ZINC001087453613 780855263 /nfs/dbraw/zinc/85/52/63/780855263.db2.gz BGUQKGZDQNHYQO-IAGOWNOFSA-N 1 2 341.386 2.343 20 30 EEEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ocnc2C)C1 ZINC001087453613 780855268 /nfs/dbraw/zinc/85/52/68/780855268.db2.gz BGUQKGZDQNHYQO-IAGOWNOFSA-N 1 2 341.386 2.343 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc[nH]c3C)[C@@H]2C1 ZINC001075666641 780995054 /nfs/dbraw/zinc/99/50/54/780995054.db2.gz NNHVSQHOANBKTH-GXTWGEPZSA-N 1 2 338.249 2.378 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc[nH]c3C)[C@@H]2C1 ZINC001075666641 780995062 /nfs/dbraw/zinc/99/50/62/780995062.db2.gz NNHVSQHOANBKTH-GXTWGEPZSA-N 1 2 338.249 2.378 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001031971556 781069756 /nfs/dbraw/zinc/06/97/56/781069756.db2.gz MVFZWIPAHYKSDL-UHFFFAOYSA-N 1 2 331.847 2.477 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N(C)CCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001105379930 781282945 /nfs/dbraw/zinc/28/29/45/781282945.db2.gz RMIRUBYWYSFRHF-SFHVURJKSA-N 1 2 334.464 2.130 20 30 EEEDLO C=CCOc1ccccc1C(=O)NC1C[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC001030541996 790903847 /nfs/dbraw/zinc/90/38/47/790903847.db2.gz IQRYNHXAKPAADK-HOCLYGCPSA-N 1 2 330.428 2.233 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H](N(C)c2[nH+]cnc3c2cnn3C)C1 ZINC001098724417 783243937 /nfs/dbraw/zinc/24/39/37/783243937.db2.gz PFFMEFYOQOCFCA-CQSZACIVSA-N 1 2 342.447 2.147 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC001033273173 783311150 /nfs/dbraw/zinc/31/11/50/783311150.db2.gz ROJYDRGYTFMNAD-LLVKDONJSA-N 1 2 335.791 2.432 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC001033273173 783311158 /nfs/dbraw/zinc/31/11/58/783311158.db2.gz ROJYDRGYTFMNAD-LLVKDONJSA-N 1 2 335.791 2.432 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001131976062 783539480 /nfs/dbraw/zinc/53/94/80/783539480.db2.gz HENRSCKYUPTBTE-DLBZAZTESA-N 1 2 342.487 2.492 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001131976062 783539485 /nfs/dbraw/zinc/53/94/85/783539485.db2.gz HENRSCKYUPTBTE-DLBZAZTESA-N 1 2 342.487 2.492 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnc(CC)o2)CC1 ZINC001035034957 783588122 /nfs/dbraw/zinc/58/81/22/783588122.db2.gz CPTBASZZKHRVGR-OAHLLOKOSA-N 1 2 332.448 2.459 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)C2CC[NH+](Cc3ncnn3C)CC2)CC1 ZINC000997740530 790955111 /nfs/dbraw/zinc/95/51/11/790955111.db2.gz ZFULQHOILMKOIG-HNNXBMFYSA-N 1 2 345.491 2.278 20 30 EEEDLO C=C[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C)no1)c1ccccc1 ZINC001035130797 783859040 /nfs/dbraw/zinc/85/90/40/783859040.db2.gz CLNZATPVHCCGKQ-SJORKVTESA-N 1 2 340.427 2.428 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cscc2C(F)F)C1 ZINC001035367672 784381671 /nfs/dbraw/zinc/38/16/71/784381671.db2.gz JPNVGCHRBNHDPI-LLVKDONJSA-N 1 2 328.384 2.140 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cscc2C(F)F)C1 ZINC001035367672 784381677 /nfs/dbraw/zinc/38/16/77/784381677.db2.gz JPNVGCHRBNHDPI-LLVKDONJSA-N 1 2 328.384 2.140 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn(C)c3ccc(F)cc23)C1 ZINC001035395320 784437898 /nfs/dbraw/zinc/43/78/98/784437898.db2.gz CMIVOIUXLYHVRH-HNNXBMFYSA-N 1 2 345.418 2.324 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cn(C)c3ccc(F)cc23)C1 ZINC001035395320 784437903 /nfs/dbraw/zinc/43/79/03/784437903.db2.gz CMIVOIUXLYHVRH-HNNXBMFYSA-N 1 2 345.418 2.324 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001035399617 784446343 /nfs/dbraw/zinc/44/63/43/784446343.db2.gz UUBJMYHBJPBJLU-YXOSVLIBSA-N 1 2 332.488 2.452 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001035399617 784446348 /nfs/dbraw/zinc/44/63/48/784446348.db2.gz UUBJMYHBJPBJLU-YXOSVLIBSA-N 1 2 332.488 2.452 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(F)c(Cl)cc2F)C1 ZINC001035495259 784630456 /nfs/dbraw/zinc/63/04/56/784630456.db2.gz HVXWDPNTIHELNR-SNVBAGLBSA-N 1 2 330.762 2.235 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(F)c(Cl)cc2F)C1 ZINC001035495259 784630465 /nfs/dbraw/zinc/63/04/65/784630465.db2.gz HVXWDPNTIHELNR-SNVBAGLBSA-N 1 2 330.762 2.235 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001061881046 784670053 /nfs/dbraw/zinc/67/00/53/784670053.db2.gz GKBZUEATVBDUAB-XKQJLSEDSA-N 1 2 344.459 2.415 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnc3ccc(F)cc3c2)C1 ZINC001035564112 784740462 /nfs/dbraw/zinc/74/04/62/784740462.db2.gz QAQYZOKRGYHAPH-KRWDZBQOSA-N 1 2 343.402 2.381 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnc3ccc(F)cc3c2)C1 ZINC001035564112 784740465 /nfs/dbraw/zinc/74/04/65/784740465.db2.gz QAQYZOKRGYHAPH-KRWDZBQOSA-N 1 2 343.402 2.381 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC001035605609 784769482 /nfs/dbraw/zinc/76/94/82/784769482.db2.gz HYNADJPOBCWZJZ-QGZVFWFLSA-N 1 2 337.423 2.136 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC001035605609 784769488 /nfs/dbraw/zinc/76/94/88/784769488.db2.gz HYNADJPOBCWZJZ-QGZVFWFLSA-N 1 2 337.423 2.136 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC001035592709 784806620 /nfs/dbraw/zinc/80/66/20/784806620.db2.gz RMQACQFMVNXCBY-AWEZNQCLSA-N 1 2 328.334 2.322 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC001035592709 784806629 /nfs/dbraw/zinc/80/66/29/784806629.db2.gz RMQACQFMVNXCBY-AWEZNQCLSA-N 1 2 328.334 2.322 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccnc(OC)c1)CC2 ZINC001035741588 785056705 /nfs/dbraw/zinc/05/67/05/785056705.db2.gz ODOOBOOUFYWZCD-UHFFFAOYSA-N 1 2 335.835 2.381 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)c1cncnc1)CC2 ZINC001035773622 785155318 /nfs/dbraw/zinc/15/53/18/785155318.db2.gz CPMDITPIALANGO-AWEZNQCLSA-N 1 2 334.851 2.257 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000946002023 785279190 /nfs/dbraw/zinc/27/91/90/785279190.db2.gz QGSSKVWPYFAICS-GOEBONIOSA-N 1 2 344.459 2.004 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(OCC(F)(F)F)cc1 ZINC000819397166 785528092 /nfs/dbraw/zinc/52/80/92/785528092.db2.gz HTGOBRXRLAHQLH-CYBMUJFWSA-N 1 2 331.338 2.246 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(OCC(F)(F)F)cc1 ZINC000819397166 785528100 /nfs/dbraw/zinc/52/81/00/785528100.db2.gz HTGOBRXRLAHQLH-CYBMUJFWSA-N 1 2 331.338 2.246 20 30 EEEDLO Cc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)c(OC[C@@H]2CCCO2)c1 ZINC000819422894 785556170 /nfs/dbraw/zinc/55/61/70/785556170.db2.gz ARMBXVCHZWSKOL-IRXDYDNUSA-N 1 2 347.459 2.171 20 30 EEEDLO Cc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)c(OC[C@@H]2CCCO2)c1 ZINC000819422894 785556179 /nfs/dbraw/zinc/55/61/79/785556179.db2.gz ARMBXVCHZWSKOL-IRXDYDNUSA-N 1 2 347.459 2.171 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(F)cc1OCC(F)F ZINC000819466301 785572703 /nfs/dbraw/zinc/57/27/03/785572703.db2.gz OHAIFGNSZODTFH-GFCCVEGCSA-N 1 2 331.338 2.088 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(F)cc1OCC(F)F ZINC000819466301 785572711 /nfs/dbraw/zinc/57/27/11/785572711.db2.gz OHAIFGNSZODTFH-GFCCVEGCSA-N 1 2 331.338 2.088 20 30 EEEDLO CC(C)Cc1noc(C[NH2+][C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)n1 ZINC000995791488 785718392 /nfs/dbraw/zinc/71/83/92/785718392.db2.gz HVCTZFRFIIBUMX-HNNXBMFYSA-N 1 2 344.459 2.008 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)COC2CCCC2)c1 ZINC001032295713 786143610 /nfs/dbraw/zinc/14/36/10/786143610.db2.gz OBXVGIJBSCPGHK-ROUUACIJSA-N 1 2 339.439 2.303 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)COC2CCCC2)c1 ZINC001032295713 786143615 /nfs/dbraw/zinc/14/36/15/786143615.db2.gz OBXVGIJBSCPGHK-ROUUACIJSA-N 1 2 339.439 2.303 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@@H]([NH2+]Cc3nnc(C)o3)C(C)(C)C2)CC1 ZINC000996239734 786176321 /nfs/dbraw/zinc/17/63/21/786176321.db2.gz XVMDPHVGZKJJNM-OAHLLOKOSA-N 1 2 332.448 2.451 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)[C@H](C)C(C)(C)C)nn2)C1 ZINC001107218631 786473775 /nfs/dbraw/zinc/47/37/75/786473775.db2.gz HPQMBZIEZHZZMG-KGLIPLIRSA-N 1 2 333.480 2.255 20 30 EEEDLO C=CCCOCC(=O)NC/C=C\CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107236748 786585935 /nfs/dbraw/zinc/58/59/35/786585935.db2.gz XALJYJKGILUWMZ-FPLPWBNLSA-N 1 2 344.459 2.341 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N(C)CCCNc1[nH+]cnc2c1cnn2C ZINC001109586895 805720333 /nfs/dbraw/zinc/72/03/33/805720333.db2.gz OBUROTJUAVFNTN-STQMWFEESA-N 1 2 330.436 2.082 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC=C(Cl)Cl)C[C@H]2O)C1 ZINC001090555381 786914334 /nfs/dbraw/zinc/91/43/34/786914334.db2.gz JXUFKAVMKUILLF-NWDGAFQWSA-N 1 2 333.259 2.213 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC=C(Cl)Cl)C[C@H]2O)C1 ZINC001090555381 786914343 /nfs/dbraw/zinc/91/43/43/786914343.db2.gz JXUFKAVMKUILLF-NWDGAFQWSA-N 1 2 333.259 2.213 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NC/C=C/CNc1[nH+]cnc2c1cnn2C ZINC001107361148 786993918 /nfs/dbraw/zinc/99/39/18/786993918.db2.gz HDYJBDYNGSNOCT-AATRIKPKSA-N 1 2 348.838 2.226 20 30 EEEDLO Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N ZINC001032317505 787208870 /nfs/dbraw/zinc/20/88/70/787208870.db2.gz UVHDSSSMUSBALH-JQFCIGGWSA-N 1 2 326.444 2.458 20 30 EEEDLO Cc1nc(C(C)C)ccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N ZINC001032317505 787208879 /nfs/dbraw/zinc/20/88/79/787208879.db2.gz UVHDSSSMUSBALH-JQFCIGGWSA-N 1 2 326.444 2.458 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001062058736 787285658 /nfs/dbraw/zinc/28/56/58/787285658.db2.gz BMLUCEQQOICNRA-CABCVRRESA-N 1 2 344.459 2.293 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001062282027 787786663 /nfs/dbraw/zinc/78/66/63/787786663.db2.gz FTWUMBBGSMXIHE-JKSUJKDBSA-N 1 2 346.475 2.062 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001062331964 787907659 /nfs/dbraw/zinc/90/76/59/787907659.db2.gz LQNYATXFZNCEPU-MRXNPFEDSA-N 1 2 332.448 2.196 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001062331964 787907664 /nfs/dbraw/zinc/90/76/64/787907664.db2.gz LQNYATXFZNCEPU-MRXNPFEDSA-N 1 2 332.448 2.196 20 30 EEEDLO Cc1nc(NCCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccc1C#N ZINC001109656649 805837434 /nfs/dbraw/zinc/83/74/34/805837434.db2.gz DPCGTBLUNRRLNQ-HUUCEWRRSA-N 1 2 338.415 2.049 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(CC(C)C)c[nH]2)[C@@H](O)C1 ZINC001090731406 787947297 /nfs/dbraw/zinc/94/72/97/787947297.db2.gz RMZQUTLEZCKSEQ-ZBFHGGJFSA-N 1 2 339.867 2.131 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(CC(C)C)c[nH]2)[C@@H](O)C1 ZINC001090731406 787947298 /nfs/dbraw/zinc/94/72/98/787947298.db2.gz RMZQUTLEZCKSEQ-ZBFHGGJFSA-N 1 2 339.867 2.131 20 30 EEEDLO Cc1nc(NCCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccc1C#N ZINC001109656649 805837425 /nfs/dbraw/zinc/83/74/25/805837425.db2.gz DPCGTBLUNRRLNQ-HUUCEWRRSA-N 1 2 338.415 2.049 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)CC)CC1 ZINC001109681750 805871158 /nfs/dbraw/zinc/87/11/58/805871158.db2.gz GYMQVZJMJQUKQD-YVSFHVDLSA-N 1 2 347.503 2.369 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)CC)CC1 ZINC001109681750 805871167 /nfs/dbraw/zinc/87/11/67/805871167.db2.gz GYMQVZJMJQUKQD-YVSFHVDLSA-N 1 2 347.503 2.369 20 30 EEEDLO C=CCCC(=O)NC[C@]1(C)C[N@H+](Cc2sc(C)nc2C)CCO1 ZINC001107802757 788503683 /nfs/dbraw/zinc/50/36/83/788503683.db2.gz YWIYNTAYGJNKNU-QGZVFWFLSA-N 1 2 337.489 2.433 20 30 EEEDLO C=CCCC(=O)NC[C@]1(C)C[N@@H+](Cc2sc(C)nc2C)CCO1 ZINC001107802757 788503687 /nfs/dbraw/zinc/50/36/87/788503687.db2.gz YWIYNTAYGJNKNU-QGZVFWFLSA-N 1 2 337.489 2.433 20 30 EEEDLO NC(=[NH+]OCC(=O)NCCCc1ccccc1)c1ccc(F)cc1 ZINC000029464385 788678996 /nfs/dbraw/zinc/67/89/96/788678996.db2.gz COUXLIKMKJKCDK-UHFFFAOYSA-N 1 2 329.375 2.212 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H](F)CC)CC2(CCOCC2)C1 ZINC001099586922 789089449 /nfs/dbraw/zinc/08/94/49/789089449.db2.gz LIAINFLMZCVRHS-ZIAGYGMSSA-N 1 2 332.847 2.474 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H](F)CC)CC2(CCOCC2)C1 ZINC001099586922 789089458 /nfs/dbraw/zinc/08/94/58/789089458.db2.gz LIAINFLMZCVRHS-ZIAGYGMSSA-N 1 2 332.847 2.474 20 30 EEEDLO C#CCCCC(=O)NC[C@@]1(C)C[N@H+](CCOc2ccccc2)CCO1 ZINC001107901923 789196640 /nfs/dbraw/zinc/19/66/40/789196640.db2.gz 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C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C1 ZINC000923573500 789800063 /nfs/dbraw/zinc/80/00/63/789800063.db2.gz PZLAGUOGXHVELL-GOSISDBHSA-N 1 2 335.407 2.073 20 30 EEEDLO C[C@@H](CC(=O)[C@@H](C#N)C(=O)NCc1ccc(F)c(F)c1)n1cc[nH+]c1 ZINC000845527885 789833738 /nfs/dbraw/zinc/83/37/38/789833738.db2.gz VWWAVAVGRJHOCK-WCQYABFASA-N 1 2 346.337 2.138 20 30 EEEDLO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](CCC(N)=O)C(=O)OC(C)(C)C ZINC001171190642 789859096 /nfs/dbraw/zinc/85/90/96/789859096.db2.gz XANOCFSBYBHXDC-BBRMVZONSA-N 1 2 345.443 2.055 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079041576 789890482 /nfs/dbraw/zinc/89/04/82/789890482.db2.gz OZUJWNFLQOHPCG-RDJZCZTQSA-N 1 2 346.475 2.394 20 30 EEEDLO CCn1nnc2c1CC[N@H+]([C@H](C)Cc1cccc(C#N)c1)[C@H]2COC ZINC001171210198 790048558 /nfs/dbraw/zinc/04/85/58/790048558.db2.gz QJCXULVOTKUHLM-KDOFPFPSSA-N 1 2 339.443 2.346 20 30 EEEDLO CCn1nnc2c1CC[N@@H+]([C@H](C)Cc1cccc(C#N)c1)[C@H]2COC ZINC001171210198 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C=C[C@@H](CC)CC(=O)N(CC)C1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001080311415 795871158 /nfs/dbraw/zinc/87/11/58/795871158.db2.gz CPQWPRFZEPBOIR-GJZGRUSLSA-N 1 2 346.475 2.250 20 30 EEEDLO C[C@@H](CCNc1ccc(C#N)nc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001106629583 795996574 /nfs/dbraw/zinc/99/65/74/795996574.db2.gz HRBBZKYCYCNBQM-LBPRGKRZSA-N 1 2 334.383 2.450 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C3C(C)(C)C3(C)C)nn2)C1 ZINC001094284081 796066957 /nfs/dbraw/zinc/06/69/57/796066957.db2.gz WIZPZQDUWHREFD-UHFFFAOYSA-N 1 2 331.464 2.009 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3ccc(C)cc3C)nn2)C1 ZINC001094336561 796110275 /nfs/dbraw/zinc/11/02/75/796110275.db2.gz ILMGEEJQAFQAIU-UHFFFAOYSA-N 1 2 339.443 2.258 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3cccc(C)c3C)nn2)C1 ZINC001094337602 796111153 /nfs/dbraw/zinc/11/11/53/796111153.db2.gz QGONUJJLICBCFF-UHFFFAOYSA-N 1 2 339.443 2.258 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3[C@@H]4CCCCCC[C@@H]34)nn2)C1 ZINC001094322603 796129923 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ZINC001095100806 797349463 /nfs/dbraw/zinc/34/94/63/797349463.db2.gz SQGSIUPTHZZIDG-AABGKKOBSA-N 1 2 331.419 2.468 20 30 EEEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cccnc1 ZINC001095100806 797349466 /nfs/dbraw/zinc/34/94/66/797349466.db2.gz SQGSIUPTHZZIDG-AABGKKOBSA-N 1 2 331.419 2.468 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)no1 ZINC001095148034 797427440 /nfs/dbraw/zinc/42/74/40/797427440.db2.gz TYWJLTAYEZHFFS-WPGHFRTFSA-N 1 2 342.424 2.452 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)no1 ZINC001095148034 797427445 /nfs/dbraw/zinc/42/74/45/797427445.db2.gz TYWJLTAYEZHFFS-WPGHFRTFSA-N 1 2 342.424 2.452 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001082721621 797662404 /nfs/dbraw/zinc/66/24/04/797662404.db2.gz BKBFXUVTDLIWTK-RVZJWNSFSA-N 1 2 332.448 2.486 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc(-c4ccccc4)o3)[C@H]2C1 ZINC001083113622 797852500 /nfs/dbraw/zinc/85/25/00/797852500.db2.gz LDKIDQLYVZDRIH-DOTOQJQBSA-N 1 2 339.395 2.053 20 30 EEEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc(-c4ccccc4)o3)[C@H]2C1 ZINC001083113622 797852510 /nfs/dbraw/zinc/85/25/10/797852510.db2.gz LDKIDQLYVZDRIH-DOTOQJQBSA-N 1 2 339.395 2.053 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(CCCC)cc3)[C@H]2C1 ZINC001083135983 797888141 /nfs/dbraw/zinc/88/81/41/797888141.db2.gz AINLMJJBXJUZQR-RBUKOAKNSA-N 1 2 326.440 2.188 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(CCCC)cc3)[C@H]2C1 ZINC001083135983 797888146 /nfs/dbraw/zinc/88/81/46/797888146.db2.gz AINLMJJBXJUZQR-RBUKOAKNSA-N 1 2 326.440 2.188 20 30 EEEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]32)CC1 ZINC001083183435 797928815 /nfs/dbraw/zinc/92/88/15/797928815.db2.gz FAXNMWBOXSZFBE-RBUKOAKNSA-N 1 2 341.455 2.240 20 30 EEEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]32)CC1 ZINC001083183435 797928817 /nfs/dbraw/zinc/92/88/17/797928817.db2.gz FAXNMWBOXSZFBE-RBUKOAKNSA-N 1 2 341.455 2.240 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccnc2N(C)C)[C@@H]1C ZINC000994397255 797934407 /nfs/dbraw/zinc/93/44/07/797934407.db2.gz CGYQUQRVCSRCSO-ZFWWWQNUSA-N 1 2 336.867 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccnc2N(C)C)[C@@H]1C ZINC000994397255 797934411 /nfs/dbraw/zinc/93/44/11/797934411.db2.gz CGYQUQRVCSRCSO-ZFWWWQNUSA-N 1 2 336.867 2.483 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ncc(C)o1 ZINC001110181025 798005325 /nfs/dbraw/zinc/00/53/25/798005325.db2.gz NPBVQDOLGGGYMR-FZKCQIBNSA-N 1 2 333.432 2.358 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ncc(C)o1 ZINC001110181025 798005332 /nfs/dbraw/zinc/00/53/32/798005332.db2.gz NPBVQDOLGGGYMR-FZKCQIBNSA-N 1 2 333.432 2.358 20 30 EEEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)c2ccon2)CC1 ZINC001002395713 798017128 /nfs/dbraw/zinc/01/71/28/798017128.db2.gz VCNSVLZIJAJOSZ-UHFFFAOYSA-N 1 2 328.347 2.080 20 30 EEEDLO CC/C(C)=C\C(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC 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C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COc4ccccc43)[C@@H]2C1 ZINC001084866916 798517088 /nfs/dbraw/zinc/51/70/88/798517088.db2.gz ODCOAZSOKDSXTI-VNQPRFMTSA-N 1 2 332.831 2.448 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COc4ccccc43)[C@@H]2C1 ZINC001084866916 798517089 /nfs/dbraw/zinc/51/70/89/798517089.db2.gz ODCOAZSOKDSXTI-VNQPRFMTSA-N 1 2 332.831 2.448 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(CC)nn3)[C@H]2C1 ZINC001085024221 798617192 /nfs/dbraw/zinc/61/71/92/798617192.db2.gz DVLJKRLNFPBPKW-AYBZRNKSSA-N 1 2 345.491 2.323 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(CC)nn3)[C@H]2C1 ZINC001085024221 798617196 /nfs/dbraw/zinc/61/71/96/798617196.db2.gz DVLJKRLNFPBPKW-AYBZRNKSSA-N 1 2 345.491 2.323 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC(C)(C)C=C)C[C@H]21 ZINC001177018311 798697626 /nfs/dbraw/zinc/69/76/26/798697626.db2.gz CTOUPRUMISBMAX-IAGOWNOFSA-N 1 2 336.476 2.093 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC(C)(C)C=C)C[C@H]21 ZINC001177018311 798697632 /nfs/dbraw/zinc/69/76/32/798697632.db2.gz CTOUPRUMISBMAX-IAGOWNOFSA-N 1 2 336.476 2.093 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)C/C=C(/C)C=C)C[C@H]21 ZINC001177068061 798726285 /nfs/dbraw/zinc/72/62/85/798726285.db2.gz ZYBRJKGDNGVYGA-GEMRWBNLSA-N 1 2 334.460 2.013 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C/C=C(/C)C=C)C[C@H]21 ZINC001177068061 798726287 /nfs/dbraw/zinc/72/62/87/798726287.db2.gz ZYBRJKGDNGVYGA-GEMRWBNLSA-N 1 2 334.460 2.013 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]3OCC[N@@H+](CCOCC)[C@@H]3C2)CC1 ZINC001177101098 798750242 /nfs/dbraw/zinc/75/02/42/798750242.db2.gz JPGUQGCWECPXJO-MSOLQXFVSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]3OCC[N@H+](CCOCC)[C@@H]3C2)CC1 ZINC001177101098 798750246 /nfs/dbraw/zinc/75/02/46/798750246.db2.gz JPGUQGCWECPXJO-MSOLQXFVSA-N 1 2 336.476 2.071 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)C[C@H]2CCCN2C(=O)[C@@H](C)C#N)c(C)[nH+]1 ZINC001002924667 798828306 /nfs/dbraw/zinc/82/83/06/798828306.db2.gz 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C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C[C@@H]3C=CCC3)CC2)C1 ZINC001065691375 799366216 /nfs/dbraw/zinc/36/62/16/799366216.db2.gz JSBSGZWCSYTVKD-MSOLQXFVSA-N 1 2 345.487 2.054 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC001065691735 799367001 /nfs/dbraw/zinc/36/70/01/799367001.db2.gz LQHKOSLRPJIKHQ-INIZCTEOSA-N 1 2 335.492 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)C[C@@H](C)C(C)C)C2)CC1 ZINC001065695464 799375056 /nfs/dbraw/zinc/37/50/56/799375056.db2.gz WPUSZRMYDFIHSC-MSOLQXFVSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C3(CC)CCC3)C2)CC1 ZINC001065710628 799406623 /nfs/dbraw/zinc/40/66/23/799406623.db2.gz BGEXFDZDKIRKSL-QGZVFWFLSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CC(C)(C)C(=O)NCc1cnn2c1C[N@H+](CCCOC(C)C)CC2 ZINC001128438211 799507115 /nfs/dbraw/zinc/50/71/15/799507115.db2.gz UZJQQPPBUAGLRT-UHFFFAOYSA-N 1 2 348.491 2.342 20 30 EEEDLO C=CC(C)(C)C(=O)NCc1cnn2c1C[N@@H+](CCCOC(C)C)CC2 ZINC001128438211 799507121 /nfs/dbraw/zinc/50/71/21/799507121.db2.gz UZJQQPPBUAGLRT-UHFFFAOYSA-N 1 2 348.491 2.342 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]([NH2+]Cc2nc([C@H](C)OCC)no2)[C@@H]1C ZINC001178582346 799522275 /nfs/dbraw/zinc/52/22/75/799522275.db2.gz XLJQXYRNIBUFTI-KKUMJFAQSA-N 1 2 348.447 2.050 20 30 EEEDLO C[C@@H](Nc1cccc(F)c1C#N)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001065781578 799539121 /nfs/dbraw/zinc/53/91/21/799539121.db2.gz YRMIELDESJNQEJ-CHWSQXEVSA-N 1 2 341.390 2.312 20 30 EEEDLO Cc1nocc1C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001003541476 799805806 /nfs/dbraw/zinc/80/58/06/799805806.db2.gz AKWVPAYSJVFSGX-UHFFFAOYSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@]2(C)C[N@H+](Cc3cnccc3C)CCO2)C1 ZINC001108201635 799904958 /nfs/dbraw/zinc/90/49/58/799904958.db2.gz OTQBAPOHXHIYGM-HXUWFJFHSA-N 1 2 343.471 2.453 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@]2(C)C[N@@H+](Cc3cnccc3C)CCO2)C1 ZINC001108201635 799904967 /nfs/dbraw/zinc/90/49/67/799904967.db2.gz OTQBAPOHXHIYGM-HXUWFJFHSA-N 1 2 343.471 2.453 20 30 EEEDLO CCc1cc(N2CC[C@@H]3[C@H]2CCCN3C(=O)[C@@H](C)C#N)nc(C)[nH+]1 ZINC001066123721 800043159 /nfs/dbraw/zinc/04/31/59/800043159.db2.gz SLPVEFZVSPUUOP-APHBMKBZSA-N 1 2 327.432 2.077 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001095310559 800044826 /nfs/dbraw/zinc/04/48/26/800044826.db2.gz AFCHAMHDCGHEHI-HNNXBMFYSA-N 1 2 343.475 2.224 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001095310559 800044831 /nfs/dbraw/zinc/04/48/31/800044831.db2.gz AFCHAMHDCGHEHI-HNNXBMFYSA-N 1 2 343.475 2.224 20 30 EEEDLO CC#CCCCC(=O)N1CCC[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001066107772 800059413 /nfs/dbraw/zinc/05/94/13/800059413.db2.gz NEGKBXFHGZUQJW-INIZCTEOSA-N 1 2 344.459 2.033 20 30 EEEDLO Cc1nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)C#CC2CC2)c(C)c(C)[nH+]1 ZINC001066148968 800069818 /nfs/dbraw/zinc/06/98/18/800069818.db2.gz VRNBAHJRBOPDLY-QZTJIDSGSA-N 1 2 338.455 2.385 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](Cc2nocc2C)CC1 ZINC001003764004 800133781 /nfs/dbraw/zinc/13/37/81/800133781.db2.gz VBRVSZWKCLHTOW-WMZOPIPTSA-N 1 2 347.459 2.435 20 30 EEEDLO N#CCNCCCCCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001179972955 800193311 /nfs/dbraw/zinc/19/33/11/800193311.db2.gz GXLREHANNFAAIA-UHFFFAOYSA-N 1 2 325.416 2.276 20 30 EEEDLO CN(C(=O)c1ccccn1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032863969 800194922 /nfs/dbraw/zinc/19/49/22/800194922.db2.gz ZUMLJMRIRXZVRT-INIZCTEOSA-N 1 2 338.386 2.439 20 30 EEEDLO CN(C(=O)c1ccccn1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032863969 800194923 /nfs/dbraw/zinc/19/49/23/800194923.db2.gz ZUMLJMRIRXZVRT-INIZCTEOSA-N 1 2 338.386 2.439 20 30 EEEDLO C=CCCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001078877483 800195183 /nfs/dbraw/zinc/19/51/83/800195183.db2.gz FXRVCXWNEMXDAK-DOTOQJQBSA-N 1 2 346.475 2.394 20 30 EEEDLO C=CCCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001078877483 800195185 /nfs/dbraw/zinc/19/51/85/800195185.db2.gz FXRVCXWNEMXDAK-DOTOQJQBSA-N 1 2 346.475 2.394 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)c1ccncc1 ZINC001085455284 800543541 /nfs/dbraw/zinc/54/35/41/800543541.db2.gz GUVNZJPSOUOSES-CQSZACIVSA-N 1 2 326.425 2.361 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)c1ccncc1 ZINC001085455284 800543545 /nfs/dbraw/zinc/54/35/45/800543545.db2.gz GUVNZJPSOUOSES-CQSZACIVSA-N 1 2 326.425 2.361 20 30 EEEDLO C=CCCC(=O)N[C@H](C)CCCCNc1[nH+]cnc2c1cnn2C ZINC001090060413 800827096 /nfs/dbraw/zinc/82/70/96/800827096.db2.gz IYSSGIRRUPHVNT-CYBMUJFWSA-N 1 2 330.436 2.416 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1ccsn1 ZINC001085664349 800998546 /nfs/dbraw/zinc/99/85/46/800998546.db2.gz JELBIPFEYRPDOD-MRXNPFEDSA-N 1 2 325.437 2.341 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)c1ccsn1 ZINC001085664349 800998552 /nfs/dbraw/zinc/99/85/52/800998552.db2.gz JELBIPFEYRPDOD-MRXNPFEDSA-N 1 2 325.437 2.341 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@H](C)c2cnc(C)cn2)nc1 ZINC001085933459 801691864 /nfs/dbraw/zinc/69/18/64/801691864.db2.gz AVHITAFEBMNTAC-WBVHZDCISA-N 1 2 349.438 2.069 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2[C@H](C)c2cnc(C)cn2)nc1 ZINC001085933459 801691872 /nfs/dbraw/zinc/69/18/72/801691872.db2.gz AVHITAFEBMNTAC-WBVHZDCISA-N 1 2 349.438 2.069 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CCCO2 ZINC001183829170 801760873 /nfs/dbraw/zinc/76/08/73/801760873.db2.gz QUTFNVAUPDAZAV-SFHVURJKSA-N 1 2 339.439 2.304 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CCCO2 ZINC001183829170 801760881 /nfs/dbraw/zinc/76/08/81/801760881.db2.gz QUTFNVAUPDAZAV-SFHVURJKSA-N 1 2 339.439 2.304 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001108238191 802032486 /nfs/dbraw/zinc/03/24/86/802032486.db2.gz MWGGKFLSHNTYQY-MRXNPFEDSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001108238191 802032491 /nfs/dbraw/zinc/03/24/91/802032491.db2.gz MWGGKFLSHNTYQY-MRXNPFEDSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001066370360 802046637 /nfs/dbraw/zinc/04/66/37/802046637.db2.gz ZCGAPLCJBRCGNU-OAHLLOKOSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001066370360 802046644 /nfs/dbraw/zinc/04/66/44/802046644.db2.gz ZCGAPLCJBRCGNU-OAHLLOKOSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001108073345 802103474 /nfs/dbraw/zinc/10/34/74/802103474.db2.gz ISBYCTVSKKRFFG-ACJLOTCBSA-N 1 2 338.398 2.461 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001108073345 802103481 /nfs/dbraw/zinc/10/34/81/802103481.db2.gz ISBYCTVSKKRFFG-ACJLOTCBSA-N 1 2 338.398 2.461 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001108073348 802103629 /nfs/dbraw/zinc/10/36/29/802103629.db2.gz ISBYCTVSKKRFFG-UGSOOPFHSA-N 1 2 338.398 2.461 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001108073348 802103636 /nfs/dbraw/zinc/10/36/36/802103636.db2.gz ISBYCTVSKKRFFG-UGSOOPFHSA-N 1 2 338.398 2.461 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2snnc2C2CC2)CC1 ZINC001004466298 802140192 /nfs/dbraw/zinc/14/01/92/802140192.db2.gz ULYZWBVVTBRMEI-AWEZNQCLSA-N 1 2 345.472 2.256 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2snnc2C2CC2)CC1 ZINC001004466298 802140196 /nfs/dbraw/zinc/14/01/96/802140196.db2.gz ULYZWBVVTBRMEI-AWEZNQCLSA-N 1 2 345.472 2.256 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001108243800 802221264 /nfs/dbraw/zinc/22/12/64/802221264.db2.gz ZKNWFAKYPBWVNB-QGZVFWFLSA-N 1 2 340.826 2.415 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001108243800 802221270 /nfs/dbraw/zinc/22/12/70/802221270.db2.gz ZKNWFAKYPBWVNB-QGZVFWFLSA-N 1 2 340.826 2.415 20 30 EEEDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1CNCC#N ZINC001184883233 802224444 /nfs/dbraw/zinc/22/44/44/802224444.db2.gz SINJUWVPYKCUKI-DOTOQJQBSA-N 1 2 337.427 2.084 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)C1 ZINC001086152127 802314077 /nfs/dbraw/zinc/31/40/77/802314077.db2.gz VILCQPXDVVBFGI-CNXAATOLSA-N 1 2 336.867 2.313 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2F)[C@H](O)C1 ZINC001090406250 802381158 /nfs/dbraw/zinc/38/11/58/802381158.db2.gz DNHQKJZWKNYZOX-ZIAGYGMSSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2F)[C@H](O)C1 ZINC001090406250 802381164 /nfs/dbraw/zinc/38/11/64/802381164.db2.gz DNHQKJZWKNYZOX-ZIAGYGMSSA-N 1 2 347.217 2.397 20 30 EEEDLO C[C@@H](CC(=O)N1CCC([C@H]2CCCN2CC#N)CC1)n1cc[nH+]c1 ZINC001004568249 802386240 /nfs/dbraw/zinc/38/62/40/802386240.db2.gz LMXMUBBTBSZYLR-DOTOQJQBSA-N 1 2 329.448 2.061 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc3cnccc3n2)CC1 ZINC001004577121 802401146 /nfs/dbraw/zinc/40/11/46/802401146.db2.gz GQVFJWSXUPKKBD-LJQANCHMSA-N 1 2 349.438 2.470 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc3cnccc3n2)CC1 ZINC001004577121 802401148 /nfs/dbraw/zinc/40/11/48/802401148.db2.gz GQVFJWSXUPKKBD-LJQANCHMSA-N 1 2 349.438 2.470 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004578663 802410635 /nfs/dbraw/zinc/41/06/35/802410635.db2.gz XFPMBRARZOIZDI-KSZLIROESA-N 1 2 331.460 2.194 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004578663 802410637 /nfs/dbraw/zinc/41/06/37/802410637.db2.gz XFPMBRARZOIZDI-KSZLIROESA-N 1 2 331.460 2.194 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cccc3nccnc32)CC1 ZINC001004586070 802425471 /nfs/dbraw/zinc/42/54/71/802425471.db2.gz OQPDIBWEPCMRNP-SFHVURJKSA-N 1 2 349.438 2.470 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cccc3nccnc32)CC1 ZINC001004586070 802425476 /nfs/dbraw/zinc/42/54/76/802425476.db2.gz OQPDIBWEPCMRNP-SFHVURJKSA-N 1 2 349.438 2.470 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnc(-c3ccoc3)s2)C1 ZINC001108262272 802758970 /nfs/dbraw/zinc/75/89/70/802758970.db2.gz NSLPQIAUUIIIKU-QGZVFWFLSA-N 1 2 347.440 2.410 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnc(-c3ccoc3)s2)C1 ZINC001108262272 802758977 /nfs/dbraw/zinc/75/89/77/802758977.db2.gz NSLPQIAUUIIIKU-QGZVFWFLSA-N 1 2 347.440 2.410 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NCC[NH2+]Cc1nnc(C(F)F)s1)OCC ZINC001128528635 802786533 /nfs/dbraw/zinc/78/65/33/802786533.db2.gz QHVRKLIKUNQJOL-SNVBAGLBSA-N 1 2 348.419 2.053 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2noc(C)n2)C1 ZINC001086387383 802872068 /nfs/dbraw/zinc/87/20/68/802872068.db2.gz BHLHQZBVYGDKEQ-BPLDGKMQSA-N 1 2 343.431 2.225 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)C1 ZINC001086431587 802954648 /nfs/dbraw/zinc/95/46/48/802954648.db2.gz VILCQPXDVVBFGI-VSBTWAGUSA-N 1 2 336.867 2.313 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(OC)cc2Cl)C1 ZINC001108284752 803164928 /nfs/dbraw/zinc/16/49/28/803164928.db2.gz YZQOADYCELDXMD-QGZVFWFLSA-N 1 2 338.835 2.355 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(OC)cc2Cl)C1 ZINC001108284752 803164932 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ZINC000067319443 215132239 /nfs/dbraw/zinc/13/22/39/215132239.db2.gz TZHRHUZTZBZHNV-HNNXBMFYSA-N 1 2 333.432 2.484 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC([C@H]3CCCO3)CC2)cc1 ZINC000189207158 236792200 /nfs/dbraw/zinc/79/22/00/236792200.db2.gz ORSHUZDJJWBGOC-GOSISDBHSA-N 1 2 348.468 2.223 20 30 EEEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451312623 243074609 /nfs/dbraw/zinc/07/46/09/243074609.db2.gz KTLOIKZHTZHUAU-UHFFFAOYSA-N 1 2 349.387 2.075 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2cc(S(=O)(=O)N(CC)CC)ccc2[nH]1 ZINC000491537022 246064790 /nfs/dbraw/zinc/06/47/90/246064790.db2.gz NPWROCOBQADIQU-CYBMUJFWSA-N 1 2 348.472 2.047 20 30 EEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2cc(S(=O)(=O)N(CC)CC)ccc2[nH]1 ZINC000491537022 246064795 /nfs/dbraw/zinc/06/47/95/246064795.db2.gz NPWROCOBQADIQU-CYBMUJFWSA-N 1 2 348.472 2.047 20 30 EEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000264083687 246048893 /nfs/dbraw/zinc/04/88/93/246048893.db2.gz FGMITYLWSGUVRI-KBPBESRZSA-N 1 2 337.414 2.334 20 30 EEEDLO CC[C@H]1C[N@H+](CCNC(=O)N[C@@H](CCC#N)c2ccccc2)CCO1 ZINC000495259648 247101777 /nfs/dbraw/zinc/10/17/77/247101777.db2.gz NIKFYAVIQDSJMN-ROUUACIJSA-N 1 2 344.459 2.441 20 30 EEEDLO CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H](CCC#N)c2ccccc2)CCO1 ZINC000495259648 247101782 /nfs/dbraw/zinc/10/17/82/247101782.db2.gz NIKFYAVIQDSJMN-ROUUACIJSA-N 1 2 344.459 2.441 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3ccncc3)CC2)cc1 ZINC000268606587 252061994 /nfs/dbraw/zinc/06/19/94/252061994.db2.gz HPAHKXHEMDWXDT-UHFFFAOYSA-N 1 2 349.438 2.023 20 30 EEEDLO CCc1nnc(N2CC[NH+](Cc3cccnc3)CC2)c(C#N)c1CC ZINC000268134554 256117630 /nfs/dbraw/zinc/11/76/30/256117630.db2.gz CFHNMIDVNYSRIT-UHFFFAOYSA-N 1 2 336.443 2.190 20 30 EEEDLO COc1ccc(OC)c(C[NH+]2CCN(c3cccnc3C#N)CC2)c1 ZINC000274103555 256353912 /nfs/dbraw/zinc/35/39/12/256353912.db2.gz SWVHKQSKAVSRGV-UHFFFAOYSA-N 1 2 338.411 2.293 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](C[C@H](O)c3ccc(F)cc3F)CC2)c1 ZINC000051877487 132182137 /nfs/dbraw/zinc/18/21/37/132182137.db2.gz KTUUPRUQMYZPRU-KRWDZBQOSA-N 1 2 344.365 2.087 20 30 EEEDLO N#Cc1ccccc1OCc1ccc(C(=O)NCCn2cc[nH+]c2)o1 ZINC000054777313 292140683 /nfs/dbraw/zinc/14/06/83/292140683.db2.gz XHJKFYRCFSJOAP-UHFFFAOYSA-N 1 2 336.351 2.357 20 30 EEEDLO C[C@H]([NH2+][C@@H](C)c1nnc2ccccn21)C(=O)Nc1cccc(C#N)c1 ZINC000172612881 152100456 /nfs/dbraw/zinc/10/04/56/152100456.db2.gz JYILPSIMOPHGMQ-STQMWFEESA-N 1 2 334.383 2.279 20 30 EEEDLO N#Cc1cccc(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)n1 ZINC000339222645 160837920 /nfs/dbraw/zinc/83/79/20/160837920.db2.gz BSZVRQQDGBUQAG-UHFFFAOYSA-N 1 2 341.459 2.090 20 30 EEEDLO Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1C ZINC000345099850 161271727 /nfs/dbraw/zinc/27/17/27/161271727.db2.gz SSUDYRXGALKKOZ-UHFFFAOYSA-N 1 2 349.438 2.331 20 30 EEEDLO C[C@H](C(=O)NCC(=O)c1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000356146207 163349162 /nfs/dbraw/zinc/34/91/62/163349162.db2.gz BRFKOAWBDVUSRK-OAHLLOKOSA-N 1 2 347.418 2.304 20 30 EEEDLO C[C@H](C(=O)NCC(=O)c1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000356146207 163349163 /nfs/dbraw/zinc/34/91/63/163349163.db2.gz BRFKOAWBDVUSRK-OAHLLOKOSA-N 1 2 347.418 2.304 20 30 EEEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCN(c3ccccc3)C(=O)C2)cc1 ZINC000360631155 164355920 /nfs/dbraw/zinc/35/59/20/164355920.db2.gz ALBDMMDWBAJHFG-UHFFFAOYSA-N 1 2 348.406 2.236 20 30 EEEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCN(c3ccccc3)C(=O)C2)cc1 ZINC000360631155 164355921 /nfs/dbraw/zinc/35/59/21/164355921.db2.gz ALBDMMDWBAJHFG-UHFFFAOYSA-N 1 2 348.406 2.236 20 30 EEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCS1 ZINC000171687831 227220939 /nfs/dbraw/zinc/22/09/39/227220939.db2.gz AWATUXOFSOTQJY-CYBMUJFWSA-N 1 2 341.440 2.120 20 30 EEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCS1 ZINC000171687831 227220944 /nfs/dbraw/zinc/22/09/44/227220944.db2.gz AWATUXOFSOTQJY-CYBMUJFWSA-N 1 2 341.440 2.120 20 30 EEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000301213632 269823803 /nfs/dbraw/zinc/82/38/03/269823803.db2.gz XPGGCPKPEKUQKL-LBPRGKRZSA-N 1 2 332.835 2.001 20 30 EEEDLO CN(C)c1cc(C#N)cc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)c1 ZINC000293078580 270017873 /nfs/dbraw/zinc/01/78/73/270017873.db2.gz DRHBIQBRQFJMOB-INIZCTEOSA-N 1 2 339.399 2.210 20 30 EEEDLO CN(C)c1cc(C#N)cc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)c1 ZINC000293078580 270017874 /nfs/dbraw/zinc/01/78/74/270017874.db2.gz DRHBIQBRQFJMOB-INIZCTEOSA-N 1 2 339.399 2.210 20 30 EEEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000331736187 270019005 /nfs/dbraw/zinc/01/90/05/270019005.db2.gz TWWYYFQLUFLTGE-GOSISDBHSA-N 1 2 347.846 2.161 20 30 EEEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000331736187 270019006 /nfs/dbraw/zinc/01/90/06/270019006.db2.gz TWWYYFQLUFLTGE-GOSISDBHSA-N 1 2 347.846 2.161 20 30 EEEDLO N#Cc1ccc(OC2C[NH+](C[C@@H](O)Cc3ccc(F)cc3)C2)cc1 ZINC000453022240 270020767 /nfs/dbraw/zinc/02/07/67/270020767.db2.gz XKVPCHKYUOMLEY-KRWDZBQOSA-N 1 2 326.371 2.364 20 30 EEEDLO CCCCn1nnnc1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000520606426 270021810 /nfs/dbraw/zinc/02/18/10/270021810.db2.gz DTCVHOBYROYJDU-UHFFFAOYSA-N 1 2 340.431 2.388 20 30 EEEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000533819733 270022638 /nfs/dbraw/zinc/02/26/38/270022638.db2.gz QASBXPJQUWTUNE-MRXNPFEDSA-N 1 2 345.399 2.162 20 30 EEEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000533819733 270022639 /nfs/dbraw/zinc/02/26/39/270022639.db2.gz QASBXPJQUWTUNE-MRXNPFEDSA-N 1 2 345.399 2.162 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1C#N ZINC000534469477 270022952 /nfs/dbraw/zinc/02/29/52/270022952.db2.gz CLUHVBSUJNKEQY-HOTGVXAUSA-N 1 2 332.425 2.051 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1C#N ZINC000534469477 270022953 /nfs/dbraw/zinc/02/29/53/270022953.db2.gz CLUHVBSUJNKEQY-HOTGVXAUSA-N 1 2 332.425 2.051 20 30 EEEDLO C[C@@H]1CCCN(C(=O)C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000332530180 267014595 /nfs/dbraw/zinc/01/45/95/267014595.db2.gz UZECWDVMBNWKBX-OAHLLOKOSA-N 1 2 344.434 2.078 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)N(C)c1nc(C(F)(F)F)ccc1C#N ZINC000278570639 267157961 /nfs/dbraw/zinc/15/79/61/267157961.db2.gz BUJJYXYPGHQQCT-LLVKDONJSA-N 1 2 328.338 2.129 20 30 EEEDLO C[C@H](NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)c1ccc(C#N)cc1 ZINC000287615508 267176529 /nfs/dbraw/zinc/17/65/29/267176529.db2.gz PHGDDIRNJAEPAF-KBXCAEBGSA-N 1 2 327.428 2.236 20 30 EEEDLO C[C@H](NC(=O)[C@H]1COCC[N@H+]1CC1CCC1)c1ccc(C#N)cc1 ZINC000287615508 267176533 /nfs/dbraw/zinc/17/65/33/267176533.db2.gz PHGDDIRNJAEPAF-KBXCAEBGSA-N 1 2 327.428 2.236 20 30 EEEDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000451937786 267232210 /nfs/dbraw/zinc/23/22/10/267232210.db2.gz WECMHLHADUEASE-ZDUSSCGKSA-N 1 2 341.864 2.316 20 30 EEEDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000451937786 267232212 /nfs/dbraw/zinc/23/22/12/267232212.db2.gz WECMHLHADUEASE-ZDUSSCGKSA-N 1 2 341.864 2.316 20 30 EEEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)s1)c1ccsc1 ZINC000435439553 267288532 /nfs/dbraw/zinc/28/85/32/267288532.db2.gz SZFWRSKQMODWOE-GFCCVEGCSA-N 1 2 341.483 2.262 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)nn1 ZINC000301916683 268118137 /nfs/dbraw/zinc/11/81/37/268118137.db2.gz DPJRBEGZMPPXBL-UHFFFAOYSA-N 1 2 336.424 2.280 20 30 EEEDLO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1F ZINC000289609793 268144946 /nfs/dbraw/zinc/14/49/46/268144946.db2.gz CZGBJNYPXPQBOF-UHFFFAOYSA-N 1 2 339.374 2.442 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000275248285 269104599 /nfs/dbraw/zinc/10/45/99/269104599.db2.gz GBVIGJIYVFUNSL-GOEBONIOSA-N 1 2 325.372 2.334 20 30 EEEDLO Cc1cc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1C#N ZINC000277787200 269183080 /nfs/dbraw/zinc/18/30/80/269183080.db2.gz FXBBNGHOEZHACC-UHFFFAOYSA-N 1 2 330.413 2.158 20 30 EEEDLO COc1cc[nH+]c(CN2CCN(c3snc(C)c3C#N)CC2)c1 ZINC000289438065 275115934 /nfs/dbraw/zinc/11/59/34/275115934.db2.gz JUAGJGCDKGXHFZ-UHFFFAOYSA-N 1 2 329.429 2.049 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)ccc1Cl ZINC000548813166 318413623 /nfs/dbraw/zinc/41/36/23/318413623.db2.gz UCODTSIYBKDBET-MRXNPFEDSA-N 1 2 326.787 2.393 20 30 EEEDLO Cc1cc(C#N)cnc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000555223823 318584665 /nfs/dbraw/zinc/58/46/65/318584665.db2.gz PDDQYXBDPZOPCZ-UHFFFAOYSA-N 1 2 331.379 2.437 20 30 EEEDLO COC(=O)c1ccc(NC[C@@H]2CCCn3cc(C)[nH+]c32)c(C#N)n1 ZINC000581439975 324255327 /nfs/dbraw/zinc/25/53/27/324255327.db2.gz PQUUNENJUFVTJV-LBPRGKRZSA-N 1 2 325.372 2.234 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1N(C[C@@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000296016301 465051829 /nfs/dbraw/zinc/05/18/29/465051829.db2.gz UHTQOCTWDPZPMY-NVXWUHKLSA-N 1 2 340.427 2.115 20 30 EEEDLO Cn1ccnc1[C@H]1[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000296016301 465051831 /nfs/dbraw/zinc/05/18/31/465051831.db2.gz UHTQOCTWDPZPMY-NVXWUHKLSA-N 1 2 340.427 2.115 20 30 EEEDLO Cn1ccnc1[C@H]1[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000296016301 465051836 /nfs/dbraw/zinc/05/18/36/465051836.db2.gz UHTQOCTWDPZPMY-NVXWUHKLSA-N 1 2 340.427 2.115 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)C#Cc2ccc3c(c2)OCO3)CC1(C)C ZINC000296170011 465102737 /nfs/dbraw/zinc/10/27/37/465102737.db2.gz LKPGXHBFROZDBM-QGZVFWFLSA-N 1 2 337.379 2.110 20 30 EEEDLO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329094253 465230661 /nfs/dbraw/zinc/23/06/61/465230661.db2.gz AWGPSNGRQPCVTJ-CKEIUWERSA-N 1 2 334.420 2.189 20 30 EEEDLO C=CCOc1cccnc1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000341559457 465231838 /nfs/dbraw/zinc/23/18/38/465231838.db2.gz GAHBERCURANNQS-OAHLLOKOSA-N 1 2 340.427 2.475 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000339443541 465278147 /nfs/dbraw/zinc/27/81/47/465278147.db2.gz WJMYFUPYIWGJDE-FZMZJTMJSA-N 1 2 335.370 2.179 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000339443541 465278149 /nfs/dbraw/zinc/27/81/49/465278149.db2.gz WJMYFUPYIWGJDE-FZMZJTMJSA-N 1 2 335.370 2.179 20 30 EEEDLO N#Cc1ccc(-n2ccc(NC(=O)CCc3[nH]cc[nH+]3)n2)c(Cl)c1 ZINC000355901845 465280874 /nfs/dbraw/zinc/28/08/74/465280874.db2.gz WYBGRLNNMQCXRG-UHFFFAOYSA-N 1 2 340.774 2.692 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)N(Cc2ccc(C)o2)C2CC2)CC1 ZINC000341998621 465284406 /nfs/dbraw/zinc/28/44/06/465284406.db2.gz UVUNJPVDRGMBNT-UHFFFAOYSA-N 1 2 345.443 2.331 20 30 EEEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000342374551 465315090 /nfs/dbraw/zinc/31/50/90/465315090.db2.gz URURCCIRPFWWLO-CQSZACIVSA-N 1 2 329.400 2.136 20 30 EEEDLO C#CC[N@@H+](Cc1cc(C)c2ncccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000490935671 468272070 /nfs/dbraw/zinc/27/20/70/468272070.db2.gz OCWIZVRMSJLZRJ-QGZVFWFLSA-N 1 2 328.437 2.166 20 30 EEEDLO C#CC[N@H+](Cc1cc(C)c2ncccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000490935671 468272076 /nfs/dbraw/zinc/27/20/76/468272076.db2.gz OCWIZVRMSJLZRJ-QGZVFWFLSA-N 1 2 328.437 2.166 20 30 EEEDLO C#C[C@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)C(C)C ZINC000490963640 468277208 /nfs/dbraw/zinc/27/72/08/468277208.db2.gz WUHGADZJIODAAZ-INMHGKMJSA-N 1 2 344.459 2.152 20 30 EEEDLO N#CCC1(CS(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000329591707 465380423 /nfs/dbraw/zinc/38/04/23/465380423.db2.gz NXUIEKTWFTVTOO-UHFFFAOYSA-N 1 2 348.472 2.185 20 30 EEEDLO COc1ccc([C@H](CO)[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000112996192 462560448 /nfs/dbraw/zinc/56/04/48/462560448.db2.gz FKRZYJIGKKNKMU-SFHVURJKSA-N 1 2 339.395 2.171 20 30 EEEDLO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000112996192 462560455 /nfs/dbraw/zinc/56/04/55/462560455.db2.gz FKRZYJIGKKNKMU-SFHVURJKSA-N 1 2 339.395 2.171 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000088777450 462645450 /nfs/dbraw/zinc/64/54/50/462645450.db2.gz TWEHMGLSEFZWBH-AWEZNQCLSA-N 1 2 330.413 2.158 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1C#N ZINC000063781964 462672553 /nfs/dbraw/zinc/67/25/53/462672553.db2.gz OWLNOHVDXPFPPY-GFCCVEGCSA-N 1 2 348.472 2.233 20 30 EEEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cnn(-c2ccccc2)c1 ZINC000011459267 462833086 /nfs/dbraw/zinc/83/30/86/462833086.db2.gz PLGLOZKVIDDZHO-LJQANCHMSA-N 1 2 337.427 2.113 20 30 EEEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cnn(-c2ccccc2)c1 ZINC000011459267 462833091 /nfs/dbraw/zinc/83/30/91/462833091.db2.gz PLGLOZKVIDDZHO-LJQANCHMSA-N 1 2 337.427 2.113 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(CCCc3cccs3)n2CC)CC1 ZINC000491201378 468321260 /nfs/dbraw/zinc/32/12/60/468321260.db2.gz HBMDGHLRKHIIGF-UHFFFAOYSA-N 1 2 343.500 2.290 20 30 EEEDLO C=CCN(CC=C)C(=O)CN1CC[NH+](Cc2ccccc2OC)CC1 ZINC000076343270 462846338 /nfs/dbraw/zinc/84/63/38/462846338.db2.gz JOMYPBXKSHIKAZ-UHFFFAOYSA-N 1 2 343.471 2.013 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(Cc2ccccc2OC)CC1 ZINC000076343270 462846341 /nfs/dbraw/zinc/84/63/41/462846341.db2.gz JOMYPBXKSHIKAZ-UHFFFAOYSA-N 1 2 343.471 2.013 20 30 EEEDLO C#CCCCCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000119381088 462896188 /nfs/dbraw/zinc/89/61/88/462896188.db2.gz HMOZXZZPZQTRLZ-IBGZPJMESA-N 1 2 343.471 2.471 20 30 EEEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)N(C)C)CC2)cc1OC ZINC000133600998 462949525 /nfs/dbraw/zinc/94/95/25/462949525.db2.gz QVNHDFXFRSOYIZ-UHFFFAOYSA-N 1 2 333.432 2.059 20 30 EEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000049728075 462974857 /nfs/dbraw/zinc/97/48/57/462974857.db2.gz DLNPILYUMXDLGK-UHFFFAOYSA-N 1 2 340.431 2.446 20 30 EEEDLO CSC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000077799961 463051111 /nfs/dbraw/zinc/05/11/11/463051111.db2.gz LVHWUKZXBUKZCD-CQSZACIVSA-N 1 2 332.473 2.137 20 30 EEEDLO C=C(C)COCCNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000135020694 463107862 /nfs/dbraw/zinc/10/78/62/463107862.db2.gz KGAYPZGOHUMHFK-MRXNPFEDSA-N 1 2 332.448 2.063 20 30 EEEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000590782628 468337423 /nfs/dbraw/zinc/33/74/23/468337423.db2.gz JEOJNROJFADRQO-SFHVURJKSA-N 1 2 348.406 2.108 20 30 EEEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000590782628 468337429 /nfs/dbraw/zinc/33/74/29/468337429.db2.gz JEOJNROJFADRQO-SFHVURJKSA-N 1 2 348.406 2.108 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)CSc2nc3ccccc3o2)CC1 ZINC000068444837 463138289 /nfs/dbraw/zinc/13/82/89/463138289.db2.gz ONQCQEHVXJWPCZ-UHFFFAOYSA-N 1 2 329.425 2.087 20 30 EEEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2ccc(Cl)cc2C#N)CC1 ZINC000068766515 463172196 /nfs/dbraw/zinc/17/21/96/463172196.db2.gz NVASYGXQHMREJT-UHFFFAOYSA-N 1 2 341.864 2.133 20 30 EEEDLO N#Cc1ccc(F)c(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000121654726 463173413 /nfs/dbraw/zinc/17/34/13/463173413.db2.gz UVBCCCWCMJNNOM-OAHLLOKOSA-N 1 2 339.374 2.170 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000069032879 463199566 /nfs/dbraw/zinc/19/95/66/463199566.db2.gz GJKMLAGYMZFXGD-OAHLLOKOSA-N 1 2 348.878 2.470 20 30 EEEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000069416384 463242481 /nfs/dbraw/zinc/24/24/81/463242481.db2.gz RPRQAHJREQNNBG-OAHLLOKOSA-N 1 2 341.415 2.001 20 30 EEEDLO CCC[C@@H](C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000568558554 468355105 /nfs/dbraw/zinc/35/51/05/468355105.db2.gz ZXACLSGSOVKAQS-ZBFHGGJFSA-N 1 2 332.423 2.145 20 30 EEEDLO COc1ccc(C[N@H+](C)CC(=O)NC2(C#N)CCCCC2)c(OC)c1 ZINC000144720963 463378511 /nfs/dbraw/zinc/37/85/11/463378511.db2.gz PFWXYWXJWMMLOL-UHFFFAOYSA-N 1 2 345.443 2.478 20 30 EEEDLO COc1ccc(C[N@@H+](C)CC(=O)NC2(C#N)CCCCC2)c(OC)c1 ZINC000144720963 463378516 /nfs/dbraw/zinc/37/85/16/463378516.db2.gz PFWXYWXJWMMLOL-UHFFFAOYSA-N 1 2 345.443 2.478 20 30 EEEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000160984880 463388733 /nfs/dbraw/zinc/38/87/33/463388733.db2.gz CIFXKEWYNBIEJS-SFHVURJKSA-N 1 2 330.428 2.075 20 30 EEEDLO C#CCN(CC)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000056740991 463420059 /nfs/dbraw/zinc/42/00/59/463420059.db2.gz JJUDSOFRBBKHRM-GOSISDBHSA-N 1 2 329.444 2.033 20 30 EEEDLO CCOc1nnc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000071826856 463433171 /nfs/dbraw/zinc/43/31/71/463433171.db2.gz XBARGBAQXZMOKD-UHFFFAOYSA-N 1 2 343.456 2.126 20 30 EEEDLO C[C@@H](CC#N)N(C)CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000177502245 463722721 /nfs/dbraw/zinc/72/27/21/463722721.db2.gz AMWNLBIIIVRBNN-HNNXBMFYSA-N 1 2 348.878 2.218 20 30 EEEDLO C=CCOc1cccc(NC(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000171081483 463779253 /nfs/dbraw/zinc/77/92/53/463779253.db2.gz HRWQTBZNIJCWOL-UHFFFAOYSA-N 1 2 333.432 2.484 20 30 EEEDLO C=CCOc1cccc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000171081483 463779258 /nfs/dbraw/zinc/77/92/58/463779258.db2.gz HRWQTBZNIJCWOL-UHFFFAOYSA-N 1 2 333.432 2.484 20 30 EEEDLO CC[C@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000178149376 463853169 /nfs/dbraw/zinc/85/31/69/463853169.db2.gz XAAGGZJVXHIICV-UONOGXRCSA-N 1 2 347.463 2.012 20 30 EEEDLO C=CCOc1ccc(CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000287587072 463936440 /nfs/dbraw/zinc/93/64/40/463936440.db2.gz XVKVYUXPKUESPB-HZPDHXFCSA-N 1 2 347.459 2.160 20 30 EEEDLO CC1(C)CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H]1C#N ZINC000278078536 463955446 /nfs/dbraw/zinc/95/54/46/463955446.db2.gz XPHCBDQQLICESL-ROUUACIJSA-N 1 2 341.455 2.428 20 30 EEEDLO CC1(C)CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H]1C#N ZINC000278078536 463955449 /nfs/dbraw/zinc/95/54/49/463955449.db2.gz XPHCBDQQLICESL-ROUUACIJSA-N 1 2 341.455 2.428 20 30 EEEDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000171955216 463955715 /nfs/dbraw/zinc/95/57/15/463955715.db2.gz LUJLYVPXYDAPHB-ZDUSSCGKSA-N 1 2 346.431 2.342 20 30 EEEDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000171955216 463955720 /nfs/dbraw/zinc/95/57/20/463955720.db2.gz LUJLYVPXYDAPHB-ZDUSSCGKSA-N 1 2 346.431 2.342 20 30 EEEDLO C=CCS(=O)(=O)CC[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000283943324 464050758 /nfs/dbraw/zinc/05/07/58/464050758.db2.gz MEPWGYLNJNSDAS-UHFFFAOYSA-N 1 2 341.326 2.415 20 30 EEEDLO C#CC[N@@H+](Cc1c(C)nn(C)c1N1CCOCC1)Cc1ccccc1 ZINC000289211810 464070371 /nfs/dbraw/zinc/07/03/71/464070371.db2.gz CARLVYGTUAPUPB-UHFFFAOYSA-N 1 2 338.455 2.201 20 30 EEEDLO C#CC[N@H+](Cc1c(C)nn(C)c1N1CCOCC1)Cc1ccccc1 ZINC000289211810 464070374 /nfs/dbraw/zinc/07/03/74/464070374.db2.gz CARLVYGTUAPUPB-UHFFFAOYSA-N 1 2 338.455 2.201 20 30 EEEDLO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@H]1[C@H]1CCCO1 ZINC000289871824 464098378 /nfs/dbraw/zinc/09/83/78/464098378.db2.gz RIDFEBZPHRIYDF-SJORKVTESA-N 1 2 348.468 2.221 20 30 EEEDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@H]1[C@H]1CCCO1 ZINC000289871824 464098384 /nfs/dbraw/zinc/09/83/84/464098384.db2.gz RIDFEBZPHRIYDF-SJORKVTESA-N 1 2 348.468 2.221 20 30 EEEDLO C=CC[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000187246513 464110304 /nfs/dbraw/zinc/11/03/04/464110304.db2.gz PDGBZEDCXVZFBP-DOMZBBRYSA-N 1 2 347.839 2.188 20 30 EEEDLO C=CC[N@H+](C[C@H](O)c1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000187246513 464110311 /nfs/dbraw/zinc/11/03/11/464110311.db2.gz PDGBZEDCXVZFBP-DOMZBBRYSA-N 1 2 347.839 2.188 20 30 EEEDLO C#CCCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000179488337 464143772 /nfs/dbraw/zinc/14/37/72/464143772.db2.gz KQGOQSKIQRCMAG-IAGOWNOFSA-N 1 2 349.862 2.424 20 30 EEEDLO C#CCCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000179488337 464143778 /nfs/dbraw/zinc/14/37/78/464143778.db2.gz KQGOQSKIQRCMAG-IAGOWNOFSA-N 1 2 349.862 2.424 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279767736 464146737 /nfs/dbraw/zinc/14/67/37/464146737.db2.gz MUYOCWYOABLOBV-GJZGRUSLSA-N 1 2 343.427 2.155 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279767736 464146740 /nfs/dbraw/zinc/14/67/40/464146740.db2.gz MUYOCWYOABLOBV-GJZGRUSLSA-N 1 2 343.427 2.155 20 30 EEEDLO CC(C)(C)c1noc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292110525 464166349 /nfs/dbraw/zinc/16/63/49/464166349.db2.gz HBLSNQMFXOZOHY-CYBMUJFWSA-N 1 2 327.388 2.287 20 30 EEEDLO CC(C)(C)c1noc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292110525 464166353 /nfs/dbraw/zinc/16/63/53/464166353.db2.gz HBLSNQMFXOZOHY-CYBMUJFWSA-N 1 2 327.388 2.287 20 30 EEEDLO C#CC[C@@H](NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000279947684 464168670 /nfs/dbraw/zinc/16/86/70/464168670.db2.gz HMYCTNOGFASIIC-SJLPKXTDSA-N 1 2 329.444 2.113 20 30 EEEDLO Cc1oc(NC(=O)C[N@@H+]2CCOC[C@H](C3CCC3)C2)c(C#N)c1C ZINC000292189442 464168717 /nfs/dbraw/zinc/16/87/17/464168717.db2.gz RIASXPHJNLATTE-OAHLLOKOSA-N 1 2 331.416 2.455 20 30 EEEDLO Cc1oc(NC(=O)C[N@H+]2CCOC[C@H](C3CCC3)C2)c(C#N)c1C ZINC000292189442 464168720 /nfs/dbraw/zinc/16/87/20/464168720.db2.gz RIASXPHJNLATTE-OAHLLOKOSA-N 1 2 331.416 2.455 20 30 EEEDLO CC(C)[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1nc(C2CC2)no1 ZINC000179829083 464195525 /nfs/dbraw/zinc/19/55/25/464195525.db2.gz HEHXRICFWVJTKJ-WMLDXEAASA-N 1 2 333.436 2.288 20 30 EEEDLO C#CCCCCC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000180133890 464249125 /nfs/dbraw/zinc/24/91/25/464249125.db2.gz APRZUMDHBHWJLQ-IBGZPJMESA-N 1 2 328.456 2.240 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C(C)C)c2)C1=O ZINC000281182035 464362918 /nfs/dbraw/zinc/36/29/18/464362918.db2.gz AYKUGUIWRJKCOV-QGZVFWFLSA-N 1 2 329.444 2.467 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(C(C)C)c2)C1=O ZINC000281182035 464362920 /nfs/dbraw/zinc/36/29/20/464362920.db2.gz AYKUGUIWRJKCOV-QGZVFWFLSA-N 1 2 329.444 2.467 20 30 EEEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293104234 464387822 /nfs/dbraw/zinc/38/78/22/464387822.db2.gz LFOUTBWYNMQIGL-UHFFFAOYSA-N 1 2 330.388 2.292 20 30 EEEDLO Cc1cnn(C)c1/C=C/C(=O)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000285001321 464421953 /nfs/dbraw/zinc/42/19/53/464421953.db2.gz GWWIXRJPYFLYPW-GQCTYLIASA-N 1 2 341.411 2.162 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)N(CC)c2ccccc2)C1=O ZINC000281493743 464477716 /nfs/dbraw/zinc/47/77/16/464477716.db2.gz XOHCANILPIDIEW-DOTOQJQBSA-N 1 2 329.444 2.147 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)N(CC)c2ccccc2)C1=O ZINC000281493743 464477722 /nfs/dbraw/zinc/47/77/22/464477722.db2.gz XOHCANILPIDIEW-DOTOQJQBSA-N 1 2 329.444 2.147 20 30 EEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)C[C@@H]21 ZINC000285549015 464604975 /nfs/dbraw/zinc/60/49/75/464604975.db2.gz VBNCIYZJPSTRQF-FGTMMUONSA-N 1 2 342.443 2.146 20 30 EEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)C[C@@H]21 ZINC000285549015 464604978 /nfs/dbraw/zinc/60/49/78/464604978.db2.gz VBNCIYZJPSTRQF-FGTMMUONSA-N 1 2 342.443 2.146 20 30 EEEDLO CC(C)[C@@H](C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000265602348 464614540 /nfs/dbraw/zinc/61/45/40/464614540.db2.gz VHHHRFCPFAXYRG-RHSMWYFYSA-N 1 2 332.423 2.001 20 30 EEEDLO CO/N=C/c1ccc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)cc1 ZINC000272658636 464683992 /nfs/dbraw/zinc/68/39/92/464683992.db2.gz OGOFKFNSAJIDQI-BFERYNQYSA-N 1 2 330.388 2.499 20 30 EEEDLO CO/N=C/c1ccc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)cc1 ZINC000272658636 464683997 /nfs/dbraw/zinc/68/39/97/464683997.db2.gz OGOFKFNSAJIDQI-BFERYNQYSA-N 1 2 330.388 2.499 20 30 EEEDLO N#CCC[N@H+](CCCOCc1ccccc1)CCN1CCOCC1 ZINC000273308384 464710487 /nfs/dbraw/zinc/71/04/87/464710487.db2.gz MYNPBOHPOQCCNI-UHFFFAOYSA-N 1 2 331.460 2.141 20 30 EEEDLO N#CCC[N@@H+](CCCOCc1ccccc1)CCN1CCOCC1 ZINC000273308384 464710497 /nfs/dbraw/zinc/71/04/97/464710497.db2.gz MYNPBOHPOQCCNI-UHFFFAOYSA-N 1 2 331.460 2.141 20 30 EEEDLO N#CCCN(CCCOCc1ccccc1)CC[NH+]1CCOCC1 ZINC000273308384 464710502 /nfs/dbraw/zinc/71/05/02/464710502.db2.gz MYNPBOHPOQCCNI-UHFFFAOYSA-N 1 2 331.460 2.141 20 30 EEEDLO Cc1n[nH]c(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1C ZINC000593883658 468420349 /nfs/dbraw/zinc/42/03/49/468420349.db2.gz RGBBWEOPGVYTLI-UHFFFAOYSA-N 1 2 337.427 2.293 20 30 EEEDLO C[N@H+](CCOc1cccc(C#N)c1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265905233 464728520 /nfs/dbraw/zinc/72/85/20/464728520.db2.gz WHQFXLMAOGEGGA-UHFFFAOYSA-N 1 2 344.436 2.473 20 30 EEEDLO C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265905233 464728522 /nfs/dbraw/zinc/72/85/22/464728522.db2.gz WHQFXLMAOGEGGA-UHFFFAOYSA-N 1 2 344.436 2.473 20 30 EEEDLO CCCCC[N@H+](CC(N)=O)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000183059734 464786147 /nfs/dbraw/zinc/78/61/47/464786147.db2.gz LXKIQAKNWVXMAI-UHFFFAOYSA-N 1 2 336.823 2.128 20 30 EEEDLO CCCCC[N@@H+](CC(N)=O)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000183059734 464786152 /nfs/dbraw/zinc/78/61/52/464786152.db2.gz LXKIQAKNWVXMAI-UHFFFAOYSA-N 1 2 336.823 2.128 20 30 EEEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc([S@@](C)=O)cc1 ZINC000267417237 464929766 /nfs/dbraw/zinc/92/97/66/464929766.db2.gz LOALBEGPXCFHBJ-XMMPIXPASA-N 1 2 347.484 2.198 20 30 EEEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc([S@@](C)=O)cc1 ZINC000267417237 464929776 /nfs/dbraw/zinc/92/97/76/464929776.db2.gz LOALBEGPXCFHBJ-XMMPIXPASA-N 1 2 347.484 2.198 20 30 EEEDLO C=CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000184682952 465017617 /nfs/dbraw/zinc/01/76/17/465017617.db2.gz ZUWGSQLKGYUTHJ-ZDUSSCGKSA-N 1 2 345.848 2.229 20 30 EEEDLO C=CC[N@H+](Cc1cc(Cl)cc(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000184682952 465017619 /nfs/dbraw/zinc/01/76/19/465017619.db2.gz ZUWGSQLKGYUTHJ-ZDUSSCGKSA-N 1 2 345.848 2.229 20 30 EEEDLO CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000329405804 465323803 /nfs/dbraw/zinc/32/38/03/465323803.db2.gz XDWXSPWXSQOJRQ-XQQFMLRXSA-N 1 2 345.534 2.080 20 30 EEEDLO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329564378 465373371 /nfs/dbraw/zinc/37/33/71/465373371.db2.gz KCCXVUVGILMSIJ-OSMBCOQSSA-N 1 2 343.427 2.086 20 30 EEEDLO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329564378 465373379 /nfs/dbraw/zinc/37/33/79/465373379.db2.gz KCCXVUVGILMSIJ-OSMBCOQSSA-N 1 2 343.427 2.086 20 30 EEEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc3ccc(Cl)cc3n2)CC1 ZINC000359333946 465396749 /nfs/dbraw/zinc/39/67/49/465396749.db2.gz UUHMOXJCPJHGKQ-UHFFFAOYSA-N 1 2 344.846 2.312 20 30 EEEDLO C[C@@H]1COc2ccccc2CN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329647707 465397773 /nfs/dbraw/zinc/39/77/73/465397773.db2.gz DYBJGWCHGOPJHR-OCCSQVGLSA-N 1 2 326.400 2.464 20 30 EEEDLO C[C@@H]1COc2ccccc2CN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329647707 465397781 /nfs/dbraw/zinc/39/77/81/465397781.db2.gz DYBJGWCHGOPJHR-OCCSQVGLSA-N 1 2 326.400 2.464 20 30 EEEDLO CCc1cc(OC)ccc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000337509901 465406112 /nfs/dbraw/zinc/40/61/12/465406112.db2.gz UFGGVWAOMDXUNU-UHFFFAOYSA-N 1 2 331.460 2.305 20 30 EEEDLO C[C@H](NC(=O)C1CCN(c2cnccn2)CC1)C1=CC[N@H+](C)CC1 ZINC000329712754 465412804 /nfs/dbraw/zinc/41/28/04/465412804.db2.gz QMHJXNKHYJYPTF-AWEZNQCLSA-N 1 2 329.448 2.300 20 30 EEEDLO C[C@H](NC(=O)C1CCN(c2cnccn2)CC1)C1=CC[N@@H+](C)CC1 ZINC000329712754 465412813 /nfs/dbraw/zinc/41/28/13/465412813.db2.gz QMHJXNKHYJYPTF-AWEZNQCLSA-N 1 2 329.448 2.300 20 30 EEEDLO O=C(C[N@H+]1CCSC[C@H]1CCO)Nc1nc2c(s1)CCCC2 ZINC000329970634 465491704 /nfs/dbraw/zinc/49/17/04/465491704.db2.gz XGKFQBSYZFKWHS-LLVKDONJSA-N 1 2 341.502 2.410 20 30 EEEDLO O=C(C[N@@H+]1CCSC[C@H]1CCO)Nc1nc2c(s1)CCCC2 ZINC000329970634 465491707 /nfs/dbraw/zinc/49/17/07/465491707.db2.gz XGKFQBSYZFKWHS-LLVKDONJSA-N 1 2 341.502 2.410 20 30 EEEDLO CC(=O)N1CC[C@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c2ccccc21 ZINC000339761990 465495499 /nfs/dbraw/zinc/49/54/99/465495499.db2.gz VGZBGNUHMGHXIC-PKOBYXMFSA-N 1 2 348.406 2.172 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330076913 465526146 /nfs/dbraw/zinc/52/61/46/465526146.db2.gz MOJPQFBMDBFPSI-VBHSOAQHSA-N 1 2 348.399 2.272 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330076913 465526152 /nfs/dbraw/zinc/52/61/52/465526152.db2.gz MOJPQFBMDBFPSI-VBHSOAQHSA-N 1 2 348.399 2.272 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)CC1(C#N)CCCC1)CCC2 ZINC000352878696 465562811 /nfs/dbraw/zinc/56/28/11/465562811.db2.gz DXLQEWMMFYNIMU-AWEZNQCLSA-N 1 2 336.461 2.072 20 30 EEEDLO C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)c1cccnc1 ZINC000330341672 465621763 /nfs/dbraw/zinc/62/17/63/465621763.db2.gz ZOPHBBASIYOYGG-JGGQBBKZSA-N 1 2 329.404 2.300 20 30 EEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CC)CCCCCC)CC1 ZINC000371643995 465917922 /nfs/dbraw/zinc/91/79/22/465917922.db2.gz FVJVOVWILIUJCX-SFHVURJKSA-N 1 2 349.519 2.267 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CC)CCCCCC)CC1 ZINC000371643995 465917923 /nfs/dbraw/zinc/91/79/23/465917923.db2.gz FVJVOVWILIUJCX-SFHVURJKSA-N 1 2 349.519 2.267 20 30 EEEDLO Cc1cnc(N2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)s1 ZINC000331147003 465954598 /nfs/dbraw/zinc/95/45/98/465954598.db2.gz MLTCNEQYQVPZOQ-RHSMWYFYSA-N 1 2 349.504 2.017 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(C(=O)c2cccs2)CC1)C1CC1 ZINC000361391292 465955361 /nfs/dbraw/zinc/95/53/61/465955361.db2.gz QXYPMIQNKCRRQL-SFHVURJKSA-N 1 2 345.468 2.451 20 30 EEEDLO CC[C@@H](C)c1nc(C)c(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c(C)n1 ZINC000594024127 468465940 /nfs/dbraw/zinc/46/59/40/468465940.db2.gz CGCBHWRUMMDETD-XIKOKIGWSA-N 1 2 331.464 2.110 20 30 EEEDLO N#CC1(NC(=O)CN2CC[NH+](Cc3cccc(Cl)c3)CC2)CCC1 ZINC000346865731 466208540 /nfs/dbraw/zinc/20/85/40/466208540.db2.gz IQCCUUIHSBPRKF-UHFFFAOYSA-N 1 2 346.862 2.020 20 30 EEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000331971858 466328639 /nfs/dbraw/zinc/32/86/39/466328639.db2.gz ULNMNNXXNBQGOK-INIZCTEOSA-N 1 2 340.471 2.123 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@H]1CCCN(CC#N)C1 ZINC000354086444 466339495 /nfs/dbraw/zinc/33/94/95/466339495.db2.gz PUFMNWANFQWDEY-MRXNPFEDSA-N 1 2 339.443 2.087 20 30 EEEDLO C=C(C)Cn1c(CCCC)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000338805274 466391281 /nfs/dbraw/zinc/39/12/81/466391281.db2.gz LTISEKKUHQRDHQ-INIZCTEOSA-N 1 2 333.480 2.108 20 30 EEEDLO COc1ccccc1[C@H](NC(=O)c1c[nH]c(C#N)c1)c1[nH+]ccn1C ZINC000367706003 466505438 /nfs/dbraw/zinc/50/54/38/466505438.db2.gz QCCQRHJJCKRTHO-INIZCTEOSA-N 1 2 335.367 2.148 20 30 EEEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000555800804 468495656 /nfs/dbraw/zinc/49/56/56/468495656.db2.gz CJGXOHGRHRQZPF-INIZCTEOSA-N 1 2 340.427 2.050 20 30 EEEDLO CS(=O)(=O)N(Cc1cn2c([nH+]1)CCCC2)Cc1ccc(C#N)cc1 ZINC000332343488 466518137 /nfs/dbraw/zinc/51/81/37/466518137.db2.gz SPOFCJTVWMRHEA-UHFFFAOYSA-N 1 2 344.440 2.053 20 30 EEEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)c2ccc3[nH+]ccn3c2)n1 ZINC000358216227 466546663 /nfs/dbraw/zinc/54/66/63/466546663.db2.gz VSMZWXXKGMDJMR-UHFFFAOYSA-N 1 2 346.325 2.783 20 30 EEEDLO C=CCCCNC(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000354436390 466568198 /nfs/dbraw/zinc/56/81/98/466568198.db2.gz KJMKICVWSXGEFH-HNNXBMFYSA-N 1 2 335.452 2.340 20 30 EEEDLO C=CCCCNC(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000354436390 466568200 /nfs/dbraw/zinc/56/82/00/466568200.db2.gz KJMKICVWSXGEFH-HNNXBMFYSA-N 1 2 335.452 2.340 20 30 EEEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)[nH]1 ZINC000332832653 466574987 /nfs/dbraw/zinc/57/49/87/466574987.db2.gz VEHYQIGVUVOKHV-HIFRSBDPSA-N 1 2 344.463 2.024 20 30 EEEDLO Cc1nnc([C@H]2CCC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)[nH]1 ZINC000332832653 466574996 /nfs/dbraw/zinc/57/49/96/466574996.db2.gz VEHYQIGVUVOKHV-HIFRSBDPSA-N 1 2 344.463 2.024 20 30 EEEDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000332832653 466574999 /nfs/dbraw/zinc/57/49/99/466574999.db2.gz VEHYQIGVUVOKHV-HIFRSBDPSA-N 1 2 344.463 2.024 20 30 EEEDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000332832653 466575004 /nfs/dbraw/zinc/57/50/04/466575004.db2.gz VEHYQIGVUVOKHV-HIFRSBDPSA-N 1 2 344.463 2.024 20 30 EEEDLO Cc1nc([C@H]2CCC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)n[nH]1 ZINC000332832653 466575010 /nfs/dbraw/zinc/57/50/10/466575010.db2.gz VEHYQIGVUVOKHV-HIFRSBDPSA-N 1 2 344.463 2.024 20 30 EEEDLO Cc1nc([C@H]2CCC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)n[nH]1 ZINC000332832653 466575017 /nfs/dbraw/zinc/57/50/17/466575017.db2.gz VEHYQIGVUVOKHV-HIFRSBDPSA-N 1 2 344.463 2.024 20 30 EEEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000362185411 466610192 /nfs/dbraw/zinc/61/01/92/466610192.db2.gz WCRJVTKCWQSKKT-INIZCTEOSA-N 1 2 345.443 2.204 20 30 EEEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000362185411 466610200 /nfs/dbraw/zinc/61/02/00/466610200.db2.gz WCRJVTKCWQSKKT-INIZCTEOSA-N 1 2 345.443 2.204 20 30 EEEDLO C=CC[N@H+](Cc1cc(Br)ccc1F)[C@H]1COC[C@H]1O ZINC000411212130 466783273 /nfs/dbraw/zinc/78/32/73/466783273.db2.gz URRIOMFUOQITJY-UONOGXRCSA-N 1 2 330.197 2.336 20 30 EEEDLO C=CC[N@@H+](Cc1cc(Br)ccc1F)[C@H]1COC[C@H]1O ZINC000411212130 466783278 /nfs/dbraw/zinc/78/32/78/466783278.db2.gz URRIOMFUOQITJY-UONOGXRCSA-N 1 2 330.197 2.336 20 30 EEEDLO C#CCCCS(=O)(=O)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000376346562 466907389 /nfs/dbraw/zinc/90/73/89/466907389.db2.gz AVVPJYVEAUZZPL-MRXNPFEDSA-N 1 2 329.425 2.230 20 30 EEEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000425478339 467096936 /nfs/dbraw/zinc/09/69/36/467096936.db2.gz OUPNECSKYACDQF-OAHLLOKOSA-N 1 2 344.459 2.371 20 30 EEEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000425478339 467096938 /nfs/dbraw/zinc/09/69/38/467096938.db2.gz OUPNECSKYACDQF-OAHLLOKOSA-N 1 2 344.459 2.371 20 30 EEEDLO CC(C)(CNc1cc(C(F)(F)F)cnc1C#N)[NH+]1CCOCC1 ZINC000413026869 467156603 /nfs/dbraw/zinc/15/66/03/467156603.db2.gz JZIQOEYXWIRCRT-UHFFFAOYSA-N 1 2 328.338 2.495 20 30 EEEDLO C[C@H](O)[C@H]1CCN(c2cc(N(C)Cc3cccc(C#N)c3)nc[nH+]2)C1 ZINC000413045126 467159608 /nfs/dbraw/zinc/15/96/08/467159608.db2.gz FASFQDXNUSHTMB-YOEHRIQHSA-N 1 2 337.427 2.192 20 30 EEEDLO C[C@H](O)[C@H]1CCN(c2cc(N(C)Cc3cccc(C#N)c3)[nH+]cn2)C1 ZINC000413045126 467159611 /nfs/dbraw/zinc/15/96/11/467159611.db2.gz FASFQDXNUSHTMB-YOEHRIQHSA-N 1 2 337.427 2.192 20 30 EEEDLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(C#N)c(F)c3)[nH+]cn2)C1 ZINC000413311472 467213267 /nfs/dbraw/zinc/21/32/67/467213267.db2.gz DPOXSRUPLRTKJO-WFASDCNBSA-N 1 2 341.390 2.307 20 30 EEEDLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(C#N)c(F)c3)nc[nH+]2)C1 ZINC000413311472 467213272 /nfs/dbraw/zinc/21/32/72/467213272.db2.gz DPOXSRUPLRTKJO-WFASDCNBSA-N 1 2 341.390 2.307 20 30 EEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000413486999 467252106 /nfs/dbraw/zinc/25/21/06/467252106.db2.gz LGKZJZJUUKHUSL-SFHVURJKSA-N 1 2 343.471 2.338 20 30 EEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000413561707 467266313 /nfs/dbraw/zinc/26/63/13/467266313.db2.gz ZLVVEWIEDXPMDK-HKUYNNGSSA-N 1 2 343.471 2.336 20 30 EEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000413561707 467266319 /nfs/dbraw/zinc/26/63/19/467266319.db2.gz ZLVVEWIEDXPMDK-HKUYNNGSSA-N 1 2 343.471 2.336 20 30 EEEDLO CC1(C)C[C@@]1(C#N)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452161952 467335467 /nfs/dbraw/zinc/33/54/67/467335467.db2.gz HECVZOVNBMBPAA-INIZCTEOSA-N 1 2 325.328 2.203 20 30 EEEDLO Cc1ccc(-n2cnnc2SC[C@H](O)C[N@H+](C)CCC#N)c(C)c1 ZINC000414093284 467376435 /nfs/dbraw/zinc/37/64/35/467376435.db2.gz HCOUCRGXSIXKJI-OAHLLOKOSA-N 1 2 345.472 2.183 20 30 EEEDLO Cc1ccc(-n2cnnc2SC[C@H](O)C[N@@H+](C)CCC#N)c(C)c1 ZINC000414093284 467376439 /nfs/dbraw/zinc/37/64/39/467376439.db2.gz HCOUCRGXSIXKJI-OAHLLOKOSA-N 1 2 345.472 2.183 20 30 EEEDLO Cc1ccc(Br)c(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000414143032 467383270 /nfs/dbraw/zinc/38/32/70/467383270.db2.gz LEPKFGNXZKXHIF-LBPRGKRZSA-N 1 2 327.222 2.343 20 30 EEEDLO Cc1ccc(Br)c(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414143032 467383275 /nfs/dbraw/zinc/38/32/75/467383275.db2.gz LEPKFGNXZKXHIF-LBPRGKRZSA-N 1 2 327.222 2.343 20 30 EEEDLO N#Cc1ccc(CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000420886727 467505457 /nfs/dbraw/zinc/50/54/57/467505457.db2.gz KMRVOHGCMQEXLN-ZDUSSCGKSA-N 1 2 328.397 2.378 20 30 EEEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@]3(C#N)C[C@H]3C)CC2)c1 ZINC000448916558 467605610 /nfs/dbraw/zinc/60/56/10/467605610.db2.gz YBZHKQQPPZTHPA-VCBZYWHSSA-N 1 2 327.428 2.450 20 30 EEEDLO C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC(=O)N1 ZINC000449525671 467657639 /nfs/dbraw/zinc/65/76/39/467657639.db2.gz STNDLLXYXVAMNN-HNNXBMFYSA-N 1 2 335.407 2.458 20 30 EEEDLO C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC(=O)N1 ZINC000449525671 467657641 /nfs/dbraw/zinc/65/76/41/467657641.db2.gz STNDLLXYXVAMNN-HNNXBMFYSA-N 1 2 335.407 2.458 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1c(F)cc(Br)cc1F ZINC000516870644 468051760 /nfs/dbraw/zinc/05/17/60/468051760.db2.gz JGPXAOJMINJLFF-CYBMUJFWSA-N 1 2 346.175 2.301 20 30 EEEDLO CC(C)Cn1ncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1C(F)F ZINC000516902421 468053923 /nfs/dbraw/zinc/05/39/23/468053923.db2.gz HIJCYGALPMQZJM-OAHLLOKOSA-N 1 2 327.379 2.050 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000488394096 468084779 /nfs/dbraw/zinc/08/47/79/468084779.db2.gz GTKCMSAFOKQXOK-IBGZPJMESA-N 1 2 339.439 2.477 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC000517572066 468089832 /nfs/dbraw/zinc/08/98/32/468089832.db2.gz IKRAQPYUZLGBBC-QGZVFWFLSA-N 1 2 348.834 2.040 20 30 EEEDLO CC(C)(C)OC(=O)NCc1nc(C[NH+]2CCC(CC#N)CC2)no1 ZINC000495645580 468098907 /nfs/dbraw/zinc/09/89/07/468098907.db2.gz CKIVPTCTKHZDRG-UHFFFAOYSA-N 1 2 335.408 2.220 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC000575185753 468138243 /nfs/dbraw/zinc/13/82/43/468138243.db2.gz INPZZORBHMERTP-KRWDZBQOSA-N 1 2 343.818 2.371 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCOc1ccc(F)c(Cl)c1 ZINC000567276700 468168261 /nfs/dbraw/zinc/16/82/61/468168261.db2.gz SEUKGQVGAGYQFM-HNNXBMFYSA-N 1 2 327.787 2.208 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000550503653 468217769 /nfs/dbraw/zinc/21/77/69/468217769.db2.gz VQHFGBLCWNBQSB-UHFFFAOYSA-N 1 2 342.180 2.185 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000550503653 468217772 /nfs/dbraw/zinc/21/77/72/468217772.db2.gz VQHFGBLCWNBQSB-UHFFFAOYSA-N 1 2 342.180 2.185 20 30 EEEDLO C=CCCCCNC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000550614726 468220069 /nfs/dbraw/zinc/22/00/69/468220069.db2.gz MCDVPPASWLXTTH-INIZCTEOSA-N 1 2 340.427 2.098 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000520350782 468244475 /nfs/dbraw/zinc/24/44/75/468244475.db2.gz DSYSNYYJMJWRAQ-UHFFFAOYSA-N 1 2 335.367 2.157 20 30 EEEDLO C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000569814767 468547841 /nfs/dbraw/zinc/54/78/41/468547841.db2.gz JOWVBTJBELWRGA-ABAIWWIYSA-N 1 2 343.349 2.433 20 30 EEEDLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@@](O)(CC#N)C1 ZINC000591975106 468587910 /nfs/dbraw/zinc/58/79/10/468587910.db2.gz GCDCVVFATQAYEE-SFHVURJKSA-N 1 2 325.368 2.266 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000558453971 468680169 /nfs/dbraw/zinc/68/01/69/468680169.db2.gz XMXUJFWOBNJNOS-HNNXBMFYSA-N 1 2 349.500 2.253 20 30 EEEDLO N#Cc1ccc(CCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000597891545 468704488 /nfs/dbraw/zinc/70/44/88/468704488.db2.gz NECHSIPMSWVPQU-UHFFFAOYSA-N 1 2 349.434 2.363 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)Cc1[nH]cc[nH+]1 ZINC000595399651 468839401 /nfs/dbraw/zinc/83/94/01/468839401.db2.gz NYZWKDUMARIUHE-SNVBAGLBSA-N 1 2 329.429 2.291 20 30 EEEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000595613963 468923185 /nfs/dbraw/zinc/92/31/85/468923185.db2.gz GJSSLWJIIHOROK-CYBMUJFWSA-N 1 2 328.372 2.110 20 30 EEEDLO N#CC[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000595613963 468923188 /nfs/dbraw/zinc/92/31/88/468923188.db2.gz GJSSLWJIIHOROK-CYBMUJFWSA-N 1 2 328.372 2.110 20 30 EEEDLO CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595613813 468923540 /nfs/dbraw/zinc/92/35/40/468923540.db2.gz FJKNRSRWSRSHRE-CQSZACIVSA-N 1 2 329.400 2.427 20 30 EEEDLO CCOC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595613813 468923547 /nfs/dbraw/zinc/92/35/47/468923547.db2.gz FJKNRSRWSRSHRE-CQSZACIVSA-N 1 2 329.400 2.427 20 30 EEEDLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595616152 468925058 /nfs/dbraw/zinc/92/50/58/468925058.db2.gz QONSMIAVIQRZLU-INIZCTEOSA-N 1 2 342.443 2.018 20 30 EEEDLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595616152 468925061 /nfs/dbraw/zinc/92/50/61/468925061.db2.gz QONSMIAVIQRZLU-INIZCTEOSA-N 1 2 342.443 2.018 20 30 EEEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NC[C@H](C)C#N)[C@@H](C)C1 ZINC000584818528 468941347 /nfs/dbraw/zinc/94/13/47/468941347.db2.gz YCOFCAKFTZSODK-CVEARBPZSA-N 1 2 344.459 2.461 20 30 EEEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NC[C@H](C)C#N)[C@@H](C)C1 ZINC000584818528 468941352 /nfs/dbraw/zinc/94/13/52/468941352.db2.gz YCOFCAKFTZSODK-CVEARBPZSA-N 1 2 344.459 2.461 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000562511994 468972782 /nfs/dbraw/zinc/97/27/82/468972782.db2.gz GQTHEKXIBCQGCE-OWCLPIDISA-N 1 2 329.375 2.356 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc(Cc2ccccc2F)s1 ZINC000572845936 469006973 /nfs/dbraw/zinc/00/69/73/469006973.db2.gz IIAKTTAOCPBTEM-KRWDZBQOSA-N 1 2 346.431 2.447 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000595866148 469052681 /nfs/dbraw/zinc/05/26/81/469052681.db2.gz FKJQRXGKCXUESU-CXMBCZLWSA-N 1 2 339.386 2.031 20 30 EEEDLO N#Cc1cnn2cc(C[NH+]3CCN(c4cccc(F)c4)CC3)cnc12 ZINC000602751285 469053291 /nfs/dbraw/zinc/05/32/91/469053291.db2.gz FQLJAULYANPAQE-UHFFFAOYSA-N 1 2 336.374 2.062 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)C1CC1 ZINC000586771835 469062555 /nfs/dbraw/zinc/06/25/55/469062555.db2.gz UXZRUIDEOCDAON-AWEZNQCLSA-N 1 2 336.461 2.265 20 30 EEEDLO C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CCN(CCC#N)CC1 ZINC000611174412 469181795 /nfs/dbraw/zinc/18/17/95/469181795.db2.gz ILVYAVWCYMQBCD-IRXDYDNUSA-N 1 2 340.471 2.274 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nc2c(s1)CCCC2 ZINC000611443338 469250968 /nfs/dbraw/zinc/25/09/68/469250968.db2.gz CTCPOSLUGDPRHT-UHFFFAOYSA-N 1 2 334.489 2.070 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000615793952 469316536 /nfs/dbraw/zinc/31/65/36/469316536.db2.gz VPDBNRXKLDQGIV-YWZLYKJASA-N 1 2 339.439 2.111 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000615793952 469316538 /nfs/dbraw/zinc/31/65/38/469316538.db2.gz VPDBNRXKLDQGIV-YWZLYKJASA-N 1 2 339.439 2.111 20 30 EEEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)CO1 ZINC000596641848 469319075 /nfs/dbraw/zinc/31/90/75/469319075.db2.gz YFPAJVSXBANHQN-RYUDHWBXSA-N 1 2 336.823 2.442 20 30 EEEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)CO1 ZINC000596641848 469319077 /nfs/dbraw/zinc/31/90/77/469319077.db2.gz YFPAJVSXBANHQN-RYUDHWBXSA-N 1 2 336.823 2.442 20 30 EEEDLO CO[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000596657924 469324620 /nfs/dbraw/zinc/32/46/20/469324620.db2.gz CYZYSEILWPIZNL-IBGZPJMESA-N 1 2 341.455 2.408 20 30 EEEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC000599687423 469338494 /nfs/dbraw/zinc/33/84/94/469338494.db2.gz RMBHYVAGBPBNGY-KRWDZBQOSA-N 1 2 342.370 2.332 20 30 EEEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC000599687423 469338500 /nfs/dbraw/zinc/33/85/00/469338500.db2.gz RMBHYVAGBPBNGY-KRWDZBQOSA-N 1 2 342.370 2.332 20 30 EEEDLO CCCC(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000603682521 469422494 /nfs/dbraw/zinc/42/24/94/469422494.db2.gz YQJCEZFANTVGBZ-AWEZNQCLSA-N 1 2 342.443 2.266 20 30 EEEDLO CCNC(=O)COc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1OC ZINC000612407120 469457319 /nfs/dbraw/zinc/45/73/19/469457319.db2.gz YWNHHMPYRRJBKM-LJQANCHMSA-N 1 2 345.443 2.336 20 30 EEEDLO CCNC(=O)COc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1OC ZINC000612407120 469457323 /nfs/dbraw/zinc/45/73/23/469457323.db2.gz YWNHHMPYRRJBKM-LJQANCHMSA-N 1 2 345.443 2.336 20 30 EEEDLO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647485 469658057 /nfs/dbraw/zinc/65/80/57/469658057.db2.gz UIYHVTMXXGOBLQ-YOEHRIQHSA-N 1 2 346.450 2.311 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000609486515 469933089 /nfs/dbraw/zinc/93/30/89/469933089.db2.gz LMOBEQARTZZWRH-RTBURBONSA-N 1 2 340.471 2.172 20 30 EEEDLO Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609538761 469937279 /nfs/dbraw/zinc/93/72/79/469937279.db2.gz XPSBNLUXXQLBKP-PKOBYXMFSA-N 1 2 342.487 2.166 20 30 EEEDLO C=CCNS(=O)(=O)c1ccccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000641324742 470311669 /nfs/dbraw/zinc/31/16/69/470311669.db2.gz VYFVEIXPNOVIDK-UHFFFAOYSA-N 1 2 346.456 2.189 20 30 EEEDLO C=CCn1cc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)nn1 ZINC000648356775 471178963 /nfs/dbraw/zinc/17/89/63/471178963.db2.gz MKVYYQIDYZWQLI-CYBMUJFWSA-N 1 2 331.445 2.045 20 30 EEEDLO C=C[C@@H](O)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000666330858 471359770 /nfs/dbraw/zinc/35/97/70/471359770.db2.gz BRDAEINVNZRZHU-UONOGXRCSA-N 1 2 326.799 2.279 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000661121110 471631829 /nfs/dbraw/zinc/63/18/29/471631829.db2.gz UZRHILOPJDAQAE-RDJZCZTQSA-N 1 2 344.459 2.462 20 30 EEEDLO C=CCCn1cc(C[NH2+]C(C)(C)C(=O)NCC2CCCCC2)nn1 ZINC000653595527 471680573 /nfs/dbraw/zinc/68/05/73/471680573.db2.gz MDNAIQGIYLYTTF-UHFFFAOYSA-N 1 2 333.480 2.419 20 30 EEEDLO C=CC[N@@H+](CCSc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000660071059 471849405 /nfs/dbraw/zinc/84/94/05/471849405.db2.gz VPJXNBVRDFZQRQ-CQSZACIVSA-N 1 2 341.498 2.462 20 30 EEEDLO C=CC[N@H+](CCSc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000660071059 471849408 /nfs/dbraw/zinc/84/94/08/471849408.db2.gz VPJXNBVRDFZQRQ-CQSZACIVSA-N 1 2 341.498 2.462 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000684783200 485996873 /nfs/dbraw/zinc/99/68/73/485996873.db2.gz UUHCLSHAOKBYKD-RBUKOAKNSA-N 1 2 344.455 2.230 20 30 EEEDLO C=C(C)[C@H](CC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1)OCC ZINC000677319194 486413234 /nfs/dbraw/zinc/41/32/34/486413234.db2.gz RVQJMOUQFPCGBX-CVEARBPZSA-N 1 2 335.448 2.387 20 30 EEEDLO C=C(C)[C@H](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1)OCC ZINC000677319194 486413237 /nfs/dbraw/zinc/41/32/37/486413237.db2.gz RVQJMOUQFPCGBX-CVEARBPZSA-N 1 2 335.448 2.387 20 30 EEEDLO COc1ccc([C@H](CNc2ncccc2C#N)[NH+]2CCOCC2)cc1 ZINC000036226939 525360549 /nfs/dbraw/zinc/36/05/49/525360549.db2.gz GRQQEHZKQKHHCL-SFHVURJKSA-N 1 2 338.411 2.447 20 30 EEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000192236455 526832306 /nfs/dbraw/zinc/83/23/06/526832306.db2.gz JKYBZQMOSQWDMM-JTQLQIEISA-N 1 2 342.180 2.183 20 30 EEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000192236455 526832310 /nfs/dbraw/zinc/83/23/10/526832310.db2.gz JKYBZQMOSQWDMM-JTQLQIEISA-N 1 2 342.180 2.183 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)nc1 ZINC000734444733 577297622 /nfs/dbraw/zinc/29/76/22/577297622.db2.gz ARGFXQGZQDTKKE-MRXNPFEDSA-N 1 2 329.350 2.374 20 30 EEEDLO C#C[C@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@H]1CCCO1 ZINC000775794269 577445918 /nfs/dbraw/zinc/44/59/18/577445918.db2.gz ZBGWIRQGZJKRNC-JKSUJKDBSA-N 1 2 341.436 2.179 20 30 EEEDLO C#C[C@H]([NH2+][C@@H](C)c1nc(N)nc(Nc2ccccc2)n1)[C@@H]1CCCO1 ZINC000775808255 577446587 /nfs/dbraw/zinc/44/65/87/577446587.db2.gz ZQODXGCBBAQQFW-QEJZJMRPSA-N 1 2 338.415 2.029 20 30 EEEDLO CN(C)c1cc[nH+]cc1C=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000776184976 577454117 /nfs/dbraw/zinc/45/41/17/577454117.db2.gz CSYSXWWAXUUHGS-UHFFFAOYSA-N 1 2 325.397 2.028 20 30 EEEDLO COC(=O)c1ccccc1N[NH+]=Cc1sc(N(C)C)nc1OC ZINC000776190217 577454167 /nfs/dbraw/zinc/45/41/67/577454167.db2.gz ZPOCCBTXQOFKDA-UHFFFAOYSA-N 1 2 334.401 2.450 20 30 EEEDLO CNc1nc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000762151286 577696165 /nfs/dbraw/zinc/69/61/65/577696165.db2.gz NVEZSASEBZIHRG-UHFFFAOYSA-N 1 2 341.440 2.014 20 30 EEEDLO CCC(CC)C(=O)N1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000763230289 577717350 /nfs/dbraw/zinc/71/73/50/577717350.db2.gz GTXSNSNWZYRJAD-GOSISDBHSA-N 1 2 329.444 2.172 20 30 EEEDLO C#CCOCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000753384746 577786359 /nfs/dbraw/zinc/78/63/59/577786359.db2.gz RQBRMJHMAFTSKI-ROUUACIJSA-N 1 2 338.411 2.061 20 30 EEEDLO Cc1[nH]c[nH+]c1C=NN1C(=S)N=NC1COc1ccc(F)cc1 ZINC000755627693 577828179 /nfs/dbraw/zinc/82/81/79/577828179.db2.gz CRWAAWGSRWQJMT-UHFFFAOYSA-N 1 2 332.364 2.199 20 30 EEEDLO CN(C)c1cc(COC(=O)Cc2ccc(OCC#N)cc2)cc[nH+]1 ZINC000755907769 577833971 /nfs/dbraw/zinc/83/39/71/577833971.db2.gz YJPQIXYRRVIECF-UHFFFAOYSA-N 1 2 325.368 2.336 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000756316095 577841986 /nfs/dbraw/zinc/84/19/86/577841986.db2.gz XUJXCUVWOKDRGX-CYBMUJFWSA-N 1 2 325.372 2.344 20 30 EEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2CCSC2)CC1=O ZINC000742266068 577870287 /nfs/dbraw/zinc/87/02/87/577870287.db2.gz JHAQPESJTFZDCV-LLVKDONJSA-N 1 2 328.441 2.152 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2cc(-c3ccccc3)c(C)[nH]c2=O)CC1 ZINC000749993736 577985376 /nfs/dbraw/zinc/98/53/76/577985376.db2.gz MDQFDDMGFJKBMP-UHFFFAOYSA-N 1 2 335.407 2.154 20 30 EEEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=C)Cl)[C@@H]2CC)nn1 ZINC001087754801 782188243 /nfs/dbraw/zinc/18/82/43/782188243.db2.gz BBAYHRRNQWPADT-DZGCQCFKSA-N 1 2 337.855 2.189 20 30 EEEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=C)Cl)[C@@H]2CC)nn1 ZINC001087754801 782188250 /nfs/dbraw/zinc/18/82/50/782188250.db2.gz BBAYHRRNQWPADT-DZGCQCFKSA-N 1 2 337.855 2.189 20 30 EEEDLO C=CCOc1ccccc1C(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000969119683 674596315 /nfs/dbraw/zinc/59/63/15/674596315.db2.gz NLZKABJTLAHORB-CYBMUJFWSA-N 1 2 344.440 2.107 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC000969235737 674738993 /nfs/dbraw/zinc/73/89/93/674738993.db2.gz OUGXBKSMXJJBNH-IYBDPMFKSA-N 1 2 344.459 2.146 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC000969235737 674738998 /nfs/dbraw/zinc/73/89/98/674738998.db2.gz OUGXBKSMXJJBNH-IYBDPMFKSA-N 1 2 344.459 2.146 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)cc1 ZINC001058510846 674872808 /nfs/dbraw/zinc/87/28/08/674872808.db2.gz GPMNVLOCEKYZFN-SFHVURJKSA-N 1 2 334.423 2.392 20 30 EEEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](Cc2cccc(F)c2F)C1 ZINC000969513223 675084890 /nfs/dbraw/zinc/08/48/90/675084890.db2.gz AUPILPJVMDRIDD-LLVKDONJSA-N 1 2 344.365 2.415 20 30 EEEDLO CCc1oncc1C(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970515294 675952980 /nfs/dbraw/zinc/95/29/80/675952980.db2.gz HKDWZLJYEOIFCA-CYBMUJFWSA-N 1 2 338.411 2.359 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@H](C)c3ncc(C)o3)C2)cn1 ZINC000970767734 676134561 /nfs/dbraw/zinc/13/45/61/676134561.db2.gz VBOXLOGGKVVSGD-UONOGXRCSA-N 1 2 338.411 2.171 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC000969818657 675230535 /nfs/dbraw/zinc/23/05/35/675230535.db2.gz OYVTZHRRCLJPLD-LBPRGKRZSA-N 1 2 345.834 2.274 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H](C)C1C[NH+](Cc2cnc(C)cn2)C1 ZINC000969838601 675243039 /nfs/dbraw/zinc/24/30/39/675243039.db2.gz ZTBPKHCRBAXXCN-HNNXBMFYSA-N 1 2 339.443 2.023 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccc(-n3cncn3)c2)C1 ZINC000970400685 675854943 /nfs/dbraw/zinc/85/49/43/675854943.db2.gz DIENTQBATKCEDP-CYBMUJFWSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(C)ccc2=O)C1 ZINC001021631498 676285928 /nfs/dbraw/zinc/28/59/28/676285928.db2.gz XKWYCLHDPBFRAC-HOCLYGCPSA-N 1 2 349.862 2.064 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cn(C)ccc2=O)C1 ZINC001021631498 676285930 /nfs/dbraw/zinc/28/59/30/676285930.db2.gz XKWYCLHDPBFRAC-HOCLYGCPSA-N 1 2 349.862 2.064 20 30 EEEDLO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC001021707114 676367305 /nfs/dbraw/zinc/36/73/05/676367305.db2.gz RUSHZRBSTOANKZ-ROUUACIJSA-N 1 2 349.438 2.031 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccon3)C2)ccc1F ZINC001006838603 676426937 /nfs/dbraw/zinc/42/69/37/676426937.db2.gz HEMSQKXXGHATCJ-CQSZACIVSA-N 1 2 328.347 2.080 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3ccon3)C2)ccc1F ZINC001006838603 676426938 /nfs/dbraw/zinc/42/69/38/676426938.db2.gz HEMSQKXXGHATCJ-CQSZACIVSA-N 1 2 328.347 2.080 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C3CCCC3)n2)C1 ZINC000971219122 676446180 /nfs/dbraw/zinc/44/61/80/676446180.db2.gz WQQSNHCGOJRJDR-YOEHRIQHSA-N 1 2 329.448 2.191 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C3CCCC3)n2)C1 ZINC000971219122 676446182 /nfs/dbraw/zinc/44/61/82/676446182.db2.gz WQQSNHCGOJRJDR-YOEHRIQHSA-N 1 2 329.448 2.191 20 30 EEEDLO CCC(CC)n1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC000971220820 676446621 /nfs/dbraw/zinc/44/66/21/676446621.db2.gz KSJFZDFQISXGIJ-WMLDXEAASA-N 1 2 331.464 2.437 20 30 EEEDLO CCC(CC)n1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC000971220820 676446622 /nfs/dbraw/zinc/44/66/22/676446622.db2.gz KSJFZDFQISXGIJ-WMLDXEAASA-N 1 2 331.464 2.437 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2ncoc2CC)C1 ZINC000971245366 676455338 /nfs/dbraw/zinc/45/53/38/676455338.db2.gz BOQWKQKUUNQCQU-NSHDSACASA-N 1 2 342.237 2.292 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2ncoc2CC)C1 ZINC000971245366 676455339 /nfs/dbraw/zinc/45/53/39/676455339.db2.gz BOQWKQKUUNQCQU-NSHDSACASA-N 1 2 342.237 2.292 20 30 EEEDLO CC(C)n1ccc(C[N@H+](C)[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000971288729 676471698 /nfs/dbraw/zinc/47/16/98/676471698.db2.gz LHEGSDPNQAJSAZ-INIZCTEOSA-N 1 2 340.431 2.010 20 30 EEEDLO CC(C)n1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000971288729 676471700 /nfs/dbraw/zinc/47/17/00/676471700.db2.gz LHEGSDPNQAJSAZ-INIZCTEOSA-N 1 2 340.431 2.010 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CCc3ccccc3F)CC2)C1 ZINC000949526055 676580855 /nfs/dbraw/zinc/58/08/55/676580855.db2.gz AHDDCKDJXOZAHL-UHFFFAOYSA-N 1 2 344.430 2.085 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CCc3ccccc3F)CC2)C1 ZINC000949526055 676580857 /nfs/dbraw/zinc/58/08/57/676580857.db2.gz AHDDCKDJXOZAHL-UHFFFAOYSA-N 1 2 344.430 2.085 20 30 EEEDLO Cc1nc(N2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)CC[C@@H]3C2)c(C)c(C)[nH+]1 ZINC001067452844 676584506 /nfs/dbraw/zinc/58/45/06/676584506.db2.gz HNXRSRVBFGNEHU-AFAVFJNCSA-N 1 2 341.459 2.236 20 30 EEEDLO C[N@H+](Cc1ncc(C(C)(C)C)o1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971505251 676603725 /nfs/dbraw/zinc/60/37/25/676603725.db2.gz QYLNUDZAKQTELH-OAHLLOKOSA-N 1 2 329.444 2.418 20 30 EEEDLO C[N@@H+](Cc1ncc(C(C)(C)C)o1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971505251 676603726 /nfs/dbraw/zinc/60/37/26/676603726.db2.gz QYLNUDZAKQTELH-OAHLLOKOSA-N 1 2 329.444 2.418 20 30 EEEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971575029 676629438 /nfs/dbraw/zinc/62/94/38/676629438.db2.gz AQCPKOBZBBNQRM-UONOGXRCSA-N 1 2 343.324 2.491 20 30 EEEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971575029 676629439 /nfs/dbraw/zinc/62/94/39/676629439.db2.gz AQCPKOBZBBNQRM-UONOGXRCSA-N 1 2 343.324 2.491 20 30 EEEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000971575029 676629440 /nfs/dbraw/zinc/62/94/40/676629440.db2.gz AQCPKOBZBBNQRM-UONOGXRCSA-N 1 2 343.324 2.491 20 30 EEEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000971575029 676629441 /nfs/dbraw/zinc/62/94/41/676629441.db2.gz AQCPKOBZBBNQRM-UONOGXRCSA-N 1 2 343.324 2.491 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC000971758447 676780764 /nfs/dbraw/zinc/78/07/64/676780764.db2.gz GPCWYAVVEYQTHX-MNOVXSKESA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC000971758447 676780766 /nfs/dbraw/zinc/78/07/66/676780766.db2.gz GPCWYAVVEYQTHX-MNOVXSKESA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000972728193 679723987 /nfs/dbraw/zinc/72/39/87/679723987.db2.gz XLVTYPJLUFJQRE-GDBMZVCRSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000972728193 679723990 /nfs/dbraw/zinc/72/39/90/679723990.db2.gz XLVTYPJLUFJQRE-GDBMZVCRSA-N 1 2 344.459 2.004 20 30 EEEDLO Cc1ocnc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001006870787 678256740 /nfs/dbraw/zinc/25/67/40/678256740.db2.gz MNXDEJISMUKZMQ-LBPRGKRZSA-N 1 2 330.413 2.311 20 30 EEEDLO Cc1ocnc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001006870787 678256745 /nfs/dbraw/zinc/25/67/45/678256745.db2.gz MNXDEJISMUKZMQ-LBPRGKRZSA-N 1 2 330.413 2.311 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CC2=CCOCC2)C1 ZINC000972251671 678453021 /nfs/dbraw/zinc/45/30/21/678453021.db2.gz RCMIPUGXPCCKRW-AWEZNQCLSA-N 1 2 343.265 2.165 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)CC2=CCOCC2)C1 ZINC000972251671 678453024 /nfs/dbraw/zinc/45/30/24/678453024.db2.gz RCMIPUGXPCCKRW-AWEZNQCLSA-N 1 2 343.265 2.165 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(CC(C)C)[nH]3)C2)C1 ZINC000972381249 678627974 /nfs/dbraw/zinc/62/79/74/678627974.db2.gz NYRPLPUMYXYVER-IBGZPJMESA-N 1 2 346.475 2.101 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(CC(C)C)[nH]3)C2)C1 ZINC000972381249 678627976 /nfs/dbraw/zinc/62/79/76/678627976.db2.gz NYRPLPUMYXYVER-IBGZPJMESA-N 1 2 346.475 2.101 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nsc4ccccc43)C2)C1 ZINC000972388984 678668433 /nfs/dbraw/zinc/66/84/33/678668433.db2.gz APOWOVKSZWUEDM-SFHVURJKSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nsc4ccccc43)C2)C1 ZINC000972388984 678668435 /nfs/dbraw/zinc/66/84/35/678668435.db2.gz APOWOVKSZWUEDM-SFHVURJKSA-N 1 2 343.452 2.399 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3sccc3Cl)C2)C1 ZINC000972392613 678672312 /nfs/dbraw/zinc/67/23/12/678672312.db2.gz ZWXHILFJKHBHGC-INIZCTEOSA-N 1 2 338.860 2.342 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3sccc3Cl)C2)C1 ZINC000972392613 678672316 /nfs/dbraw/zinc/67/23/16/678672316.db2.gz ZWXHILFJKHBHGC-INIZCTEOSA-N 1 2 338.860 2.342 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(CC)s3)C2)C1 ZINC000972455658 678778471 /nfs/dbraw/zinc/77/84/71/678778471.db2.gz GSOJQIMKELMXNF-GOSISDBHSA-N 1 2 332.469 2.251 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(CC)s3)C2)C1 ZINC000972455658 678778472 /nfs/dbraw/zinc/77/84/72/678778472.db2.gz GSOJQIMKELMXNF-GOSISDBHSA-N 1 2 332.469 2.251 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccn4ccccc34)C2)C1 ZINC000972460145 678791844 /nfs/dbraw/zinc/79/18/44/678791844.db2.gz BZIZPHXDNRFDJK-IBGZPJMESA-N 1 2 325.412 2.042 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccn4ccccc34)C2)C1 ZINC000972460145 678791845 /nfs/dbraw/zinc/79/18/45/678791845.db2.gz BZIZPHXDNRFDJK-IBGZPJMESA-N 1 2 325.412 2.042 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cc(C)cc(C)c3)C2)C1 ZINC000972533555 679197996 /nfs/dbraw/zinc/19/79/96/679197996.db2.gz DYGDJKBGYLAQOO-FQEVSTJZSA-N 1 2 328.456 2.335 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cc(C)cc(C)c3)C2)C1 ZINC000972533555 679197997 /nfs/dbraw/zinc/19/79/97/679197997.db2.gz DYGDJKBGYLAQOO-FQEVSTJZSA-N 1 2 328.456 2.335 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc[nH]c3C3CCC3)C2)C1 ZINC000972552575 679262501 /nfs/dbraw/zinc/26/25/01/679262501.db2.gz PGDVIFQAZQWDDD-IBGZPJMESA-N 1 2 329.444 2.385 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc[nH]c3C3CCC3)C2)C1 ZINC000972552575 679262503 /nfs/dbraw/zinc/26/25/03/679262503.db2.gz PGDVIFQAZQWDDD-IBGZPJMESA-N 1 2 329.444 2.385 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccccc3F)C2)C1 ZINC000972601814 679407881 /nfs/dbraw/zinc/40/78/81/679407881.db2.gz KRJFLTNDKXQAQN-OXQOHEQNSA-N 1 2 344.430 2.256 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccccc3F)C2)C1 ZINC000972601814 679407882 /nfs/dbraw/zinc/40/78/82/679407882.db2.gz KRJFLTNDKXQAQN-OXQOHEQNSA-N 1 2 344.430 2.256 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)nn(CCC)c3C)C2)C1 ZINC000972626365 679450272 /nfs/dbraw/zinc/45/02/72/679450272.db2.gz BVQSHKJDMVKDJQ-IBGZPJMESA-N 1 2 346.475 2.013 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)nn(CCC)c3C)C2)C1 ZINC000972626365 679450273 /nfs/dbraw/zinc/45/02/73/679450273.db2.gz BVQSHKJDMVKDJQ-IBGZPJMESA-N 1 2 346.475 2.013 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(F)cc3C)C2)C1 ZINC000972648150 679504824 /nfs/dbraw/zinc/50/48/24/679504824.db2.gz WNGKHSWMDSXGGQ-IBGZPJMESA-N 1 2 330.403 2.074 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(F)cc3C)C2)C1 ZINC000972648150 679504828 /nfs/dbraw/zinc/50/48/28/679504828.db2.gz WNGKHSWMDSXGGQ-IBGZPJMESA-N 1 2 330.403 2.074 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(COC)c(F)c3)C2)C1 ZINC000972653797 679515933 /nfs/dbraw/zinc/51/59/33/679515933.db2.gz KZWPGZSFJACIOY-IBGZPJMESA-N 1 2 348.418 2.075 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(COC)c(F)c3)C2)C1 ZINC000972653797 679515934 /nfs/dbraw/zinc/51/59/34/679515934.db2.gz KZWPGZSFJACIOY-IBGZPJMESA-N 1 2 348.418 2.075 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)C2)C1 ZINC000972692427 679614389 /nfs/dbraw/zinc/61/43/89/679614389.db2.gz OZNQFZAHWCXGCA-NLWGTHIKSA-N 1 2 344.430 2.419 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)C2)C1 ZINC000972692427 679614392 /nfs/dbraw/zinc/61/43/92/679614392.db2.gz OZNQFZAHWCXGCA-NLWGTHIKSA-N 1 2 344.430 2.419 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](OC)c3ccc(F)cc3)C2)C1 ZINC000972692758 679615936 /nfs/dbraw/zinc/61/59/36/679615936.db2.gz SCJYYJASIPRDGU-IEBWSBKVSA-N 1 2 348.418 2.003 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](OC)c3ccc(F)cc3)C2)C1 ZINC000972692758 679615938 /nfs/dbraw/zinc/61/59/38/679615938.db2.gz SCJYYJASIPRDGU-IEBWSBKVSA-N 1 2 348.418 2.003 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Cc3ccccc3C)C2)C1 ZINC000972694300 679617874 /nfs/dbraw/zinc/61/78/74/679617874.db2.gz AIRIISVJUSBIFQ-NQIIRXRSSA-N 1 2 340.467 2.110 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Cc3ccccc3C)C2)C1 ZINC000972694300 679617875 /nfs/dbraw/zinc/61/78/75/679617875.db2.gz AIRIISVJUSBIFQ-NQIIRXRSSA-N 1 2 340.467 2.110 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3ncc(C)s3)C2)cn1 ZINC000972756394 679749859 /nfs/dbraw/zinc/74/98/59/679749859.db2.gz LUYDKHJOJJPPNS-INIZCTEOSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncc(C)s3)C2)cn1 ZINC000972756394 679749860 /nfs/dbraw/zinc/74/98/60/679749860.db2.gz LUYDKHJOJJPPNS-INIZCTEOSA-N 1 2 340.452 2.174 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccc(F)cn2)c1 ZINC001024380555 679885789 /nfs/dbraw/zinc/88/57/89/679885789.db2.gz NZHKYLSTVYSMIW-INIZCTEOSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cn2)c1 ZINC001024380555 679885790 /nfs/dbraw/zinc/88/57/90/679885790.db2.gz NZHKYLSTVYSMIW-INIZCTEOSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)nc1 ZINC001059459729 685434453 /nfs/dbraw/zinc/43/44/53/685434453.db2.gz FHUVEUBFJNDWKV-HDJSIYSDSA-N 1 2 332.367 2.202 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001024756902 681419023 /nfs/dbraw/zinc/41/90/23/681419023.db2.gz XCJAUCVYYQZUMD-DZGCQCFKSA-N 1 2 336.867 2.238 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001024756902 681419027 /nfs/dbraw/zinc/41/90/27/681419027.db2.gz XCJAUCVYYQZUMD-DZGCQCFKSA-N 1 2 336.867 2.238 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2nocc2C)cn1 ZINC001024770748 681429863 /nfs/dbraw/zinc/42/98/63/681429863.db2.gz YFIGGTBMRCOCSD-QGZVFWFLSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2nocc2C)cn1 ZINC001024770748 681429865 /nfs/dbraw/zinc/42/98/65/681429865.db2.gz YFIGGTBMRCOCSD-QGZVFWFLSA-N 1 2 338.411 2.144 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(C)no1 ZINC001024983463 681669806 /nfs/dbraw/zinc/66/98/06/681669806.db2.gz QWEWDBKSHQLLHN-OAHLLOKOSA-N 1 2 343.431 2.150 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N2CCCC[C@@H]2[C@@H]2CCCN2CC#N)c[nH+]1 ZINC001025245117 682324038 /nfs/dbraw/zinc/32/40/38/682324038.db2.gz ZZMWNQYKDDNLKV-DLBZAZTESA-N 1 2 343.475 2.296 20 30 EEEDLO C=C(Cl)CN1CC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001028895867 682441620 /nfs/dbraw/zinc/44/16/20/682441620.db2.gz CZFGYQHQCYGHIP-AWEZNQCLSA-N 1 2 345.834 2.072 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000983670473 683114560 /nfs/dbraw/zinc/11/45/60/683114560.db2.gz KDFMKJMEBRKIIP-LSDHHAIUSA-N 1 2 344.459 2.161 20 30 EEEDLO C=CCCn1cc(C(=O)NC2C[NH+]([C@H](C)c3cccc(C)c3)C2)nn1 ZINC001031079808 683690952 /nfs/dbraw/zinc/69/09/52/683690952.db2.gz MTMOHBZTVIYDQE-OAHLLOKOSA-N 1 2 339.443 2.338 20 30 EEEDLO C=CCCC(=O)NCc1ccccc1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001060484679 683716660 /nfs/dbraw/zinc/71/66/60/683716660.db2.gz PHTPYNRYWYZMIU-UHFFFAOYSA-N 1 2 340.427 2.193 20 30 EEEDLO CCOc1cccc(CNC(=O)CO[NH+]=C(N)c2ccccc2)c1 ZINC000178150624 683790696 /nfs/dbraw/zinc/79/06/96/683790696.db2.gz SSFJAUXMMHVJSV-UHFFFAOYSA-N 1 2 327.384 2.039 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2ccon2)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000993093829 683912989 /nfs/dbraw/zinc/91/29/89/683912989.db2.gz NIHRPJFVDJJKRW-BLLLJJGKSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2ccon2)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000993093829 683912993 /nfs/dbraw/zinc/91/29/93/683912993.db2.gz NIHRPJFVDJJKRW-BLLLJJGKSA-N 1 2 342.374 2.468 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ncc(C)o3)C2)nc1 ZINC001027656065 693811545 /nfs/dbraw/zinc/81/15/45/693811545.db2.gz JPYLQOSZTCJRNY-MRXNPFEDSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ncc(C)o3)C2)nc1 ZINC001027656065 693811549 /nfs/dbraw/zinc/81/15/49/693811549.db2.gz JPYLQOSZTCJRNY-MRXNPFEDSA-N 1 2 338.411 2.096 20 30 EEEDLO COC1CC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)s2)C1 ZINC001029351286 684073224 /nfs/dbraw/zinc/07/32/24/684073224.db2.gz WRXGACRFCYUPCS-HFDVOGEKSA-N 1 2 345.468 2.220 20 30 EEEDLO COC1CC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)s2)C1 ZINC001029351286 684073228 /nfs/dbraw/zinc/07/32/28/684073228.db2.gz WRXGACRFCYUPCS-HFDVOGEKSA-N 1 2 345.468 2.220 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CCCO1 ZINC001006657132 684704122 /nfs/dbraw/zinc/70/41/22/684704122.db2.gz MDNWOAHOYHJBLP-ZWKOTPCHSA-N 1 2 346.858 2.451 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CCCO1 ZINC001006657132 684704128 /nfs/dbraw/zinc/70/41/28/684704128.db2.gz MDNWOAHOYHJBLP-ZWKOTPCHSA-N 1 2 346.858 2.451 20 30 EEEDLO N#Cc1ccccc1C[NH2+]C1CCC(NC(=O)c2[nH]ncc2F)CC1 ZINC001026554936 684739259 /nfs/dbraw/zinc/73/92/59/684739259.db2.gz DOWQKZUQJFKQPS-UHFFFAOYSA-N 1 2 341.390 2.251 20 30 EEEDLO CC1(C)C[N@H+](Cc2cncc(F)c2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974472568 684963525 /nfs/dbraw/zinc/96/35/25/684963525.db2.gz NSWAMZSHBQQAOJ-MRXNPFEDSA-N 1 2 341.390 2.061 20 30 EEEDLO CC1(C)C[N@@H+](Cc2cncc(F)c2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974472568 684963527 /nfs/dbraw/zinc/96/35/27/684963527.db2.gz NSWAMZSHBQQAOJ-MRXNPFEDSA-N 1 2 341.390 2.061 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1csnn1 ZINC000974892263 685677312 /nfs/dbraw/zinc/67/73/12/685677312.db2.gz FIMXCFQHEDALGI-HNNXBMFYSA-N 1 2 341.440 2.050 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1csnn1 ZINC000974892263 685677317 /nfs/dbraw/zinc/67/73/17/685677317.db2.gz FIMXCFQHEDALGI-HNNXBMFYSA-N 1 2 341.440 2.050 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(CC)n3C)[C@H](C)C2)C1 ZINC000947701648 685729165 /nfs/dbraw/zinc/72/91/65/685729165.db2.gz FCGJRAMMHGHLLU-HUUCEWRRSA-N 1 2 345.491 2.203 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(CC)n3C)[C@H](C)C2)C1 ZINC000947701648 685729171 /nfs/dbraw/zinc/72/91/71/685729171.db2.gz FCGJRAMMHGHLLU-HUUCEWRRSA-N 1 2 345.491 2.203 20 30 EEEDLO Cc1[nH]c(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)[nH+]c1C ZINC000896910088 685815045 /nfs/dbraw/zinc/81/50/45/685815045.db2.gz IHBKEQDGAZOOFX-CQSZACIVSA-N 1 2 341.390 2.180 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnn3cc(C)cnc23)C(C)(C)C1 ZINC000975107403 686126361 /nfs/dbraw/zinc/12/63/61/686126361.db2.gz AEOQJQKCJLWLRD-AWEZNQCLSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnn3cc(C)cnc23)C(C)(C)C1 ZINC000975107403 686126366 /nfs/dbraw/zinc/12/63/66/686126366.db2.gz AEOQJQKCJLWLRD-AWEZNQCLSA-N 1 2 347.850 2.230 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)oc1C ZINC001027375024 687778584 /nfs/dbraw/zinc/77/85/84/687778584.db2.gz MLQGAYZMIFEKJD-MRXNPFEDSA-N 1 2 341.415 2.228 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)oc1C ZINC001027375024 687778588 /nfs/dbraw/zinc/77/85/88/687778588.db2.gz MLQGAYZMIFEKJD-MRXNPFEDSA-N 1 2 341.415 2.228 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000125460877 687921460 /nfs/dbraw/zinc/92/14/60/687921460.db2.gz GWCZICNTQQNCMZ-CJNGLKHVSA-N 1 2 333.432 2.221 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000987124136 689389584 /nfs/dbraw/zinc/38/95/84/689389584.db2.gz AMYGBXUUSAIBLW-OAHLLOKOSA-N 1 2 344.459 2.196 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)on1 ZINC001027751580 694333242 /nfs/dbraw/zinc/33/32/42/694333242.db2.gz KSYXMTDFIZBUDD-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)on1 ZINC001027751580 694333245 /nfs/dbraw/zinc/33/32/45/694333245.db2.gz KSYXMTDFIZBUDD-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 ZINC000989439083 691762298 /nfs/dbraw/zinc/76/22/98/691762298.db2.gz KZSKKBQHIRQRFI-UYAOXDASSA-N 1 2 339.439 2.019 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 ZINC000989439083 691762301 /nfs/dbraw/zinc/76/23/01/691762301.db2.gz KZSKKBQHIRQRFI-UYAOXDASSA-N 1 2 339.439 2.019 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1C[N@H+](CC#Cc2ccccc2)CC1(C)C ZINC000977410058 692591499 /nfs/dbraw/zinc/59/14/99/692591499.db2.gz OEXBOJFTMQYGRR-KRWDZBQOSA-N 1 2 337.423 2.475 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1C[N@@H+](CC#Cc2ccccc2)CC1(C)C ZINC000977410058 692591503 /nfs/dbraw/zinc/59/15/03/692591503.db2.gz OEXBOJFTMQYGRR-KRWDZBQOSA-N 1 2 337.423 2.475 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)Cc2ccc[nH]2)C(C)(C)C1 ZINC000977601385 692836551 /nfs/dbraw/zinc/83/65/51/692836551.db2.gz FOYABGIQBVRQBZ-CYBMUJFWSA-N 1 2 340.265 2.292 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)Cc2ccc[nH]2)C(C)(C)C1 ZINC000977601385 692836556 /nfs/dbraw/zinc/83/65/56/692836556.db2.gz FOYABGIQBVRQBZ-CYBMUJFWSA-N 1 2 340.265 2.292 20 30 EEEDLO C=CCCCCNC(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000898538153 693359241 /nfs/dbraw/zinc/35/92/41/693359241.db2.gz WOXCYIBDGYMCSC-KRWDZBQOSA-N 1 2 340.427 2.213 20 30 EEEDLO C=CCCCCNC(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000898538154 693359269 /nfs/dbraw/zinc/35/92/69/693359269.db2.gz WOXCYIBDGYMCSC-QGZVFWFLSA-N 1 2 340.427 2.213 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ncccc2Cl)C1 ZINC001032139345 1192757387 /nfs/dbraw/zinc/75/73/87/1192757387.db2.gz FLIKLQFFGCSURS-UHFFFAOYSA-N 1 2 340.814 2.468 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@H]2COc3ccccc3O2)C1 ZINC001481627556 1181930924 /nfs/dbraw/zinc/93/09/24/1181930924.db2.gz VDJARMLWDHAIEN-AWEZNQCLSA-N 1 2 336.819 2.017 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCCO2)C1 ZINC001034170686 1195891543 /nfs/dbraw/zinc/89/15/43/1195891543.db2.gz YFWCPVTYCXUOBE-UONOGXRCSA-N 1 2 345.281 2.435 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCCO2)C1 ZINC001034170686 1195891549 /nfs/dbraw/zinc/89/15/49/1195891549.db2.gz YFWCPVTYCXUOBE-UONOGXRCSA-N 1 2 345.281 2.435 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccncc2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088446175 1186899929 /nfs/dbraw/zinc/89/99/29/1186899929.db2.gz TXEGKTLWVGSMIF-ACJLOTCBSA-N 1 2 338.386 2.485 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccncc2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088446175 1186899932 /nfs/dbraw/zinc/89/99/32/1186899932.db2.gz TXEGKTLWVGSMIF-ACJLOTCBSA-N 1 2 338.386 2.485 20 30 EEEDLO C[C@@]1(CNC(=O)C#CC2CC2)C[N@H+](Cc2ccc(CF)cc2)CCO1 ZINC001107932278 1193479475 /nfs/dbraw/zinc/47/94/75/1193479475.db2.gz JHSHRRXQQAAZAH-HXUWFJFHSA-N 1 2 344.430 2.277 20 30 EEEDLO C[C@@]1(CNC(=O)C#CC2CC2)C[N@@H+](Cc2ccc(CF)cc2)CCO1 ZINC001107932278 1193479477 /nfs/dbraw/zinc/47/94/77/1193479477.db2.gz JHSHRRXQQAAZAH-HXUWFJFHSA-N 1 2 344.430 2.277 20 30 EEEDLO C=CCCC1(C(=O)NC[C@H](C)Nc2ncnc3c2C[N@H+](C)CC3)CC1 ZINC001098244690 1187561261 /nfs/dbraw/zinc/56/12/61/1187561261.db2.gz SWFJTEWWNZKODP-AWEZNQCLSA-N 1 2 343.475 2.128 20 30 EEEDLO C=CCCC1(C(=O)NC[C@H](C)Nc2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC001098244690 1187561263 /nfs/dbraw/zinc/56/12/63/1187561263.db2.gz SWFJTEWWNZKODP-AWEZNQCLSA-N 1 2 343.475 2.128 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2oc(C(C)C)nc2C)C[C@H]1OC ZINC001211999243 1187595010 /nfs/dbraw/zinc/59/50/10/1187595010.db2.gz CMEDLEHSIJSSSG-GDBMZVCRSA-N 1 2 335.448 2.388 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2oc(C(C)C)nc2C)C[C@H]1OC ZINC001211999243 1187595015 /nfs/dbraw/zinc/59/50/15/1187595015.db2.gz CMEDLEHSIJSSSG-GDBMZVCRSA-N 1 2 335.448 2.388 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCCC(C)(C)C)C2)nn1 ZINC001098645425 1187871843 /nfs/dbraw/zinc/87/18/43/1187871843.db2.gz LWTGLSMVTITUDI-QGZVFWFLSA-N 1 2 345.491 2.381 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)[C@@H]2C1 ZINC001076299693 1188840866 /nfs/dbraw/zinc/84/08/66/1188840866.db2.gz JCEGJJXREQMLEH-SWLSCSKDSA-N 1 2 346.818 2.167 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)[C@@H]2C1 ZINC001076299693 1188840868 /nfs/dbraw/zinc/84/08/68/1188840868.db2.gz JCEGJJXREQMLEH-SWLSCSKDSA-N 1 2 346.818 2.167 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn4c3C[C@@H](C)CC4)[C@@H]2C1 ZINC001076511453 1188962993 /nfs/dbraw/zinc/96/29/93/1188962993.db2.gz SUFUTTXRUAOWND-RVSPLBMKSA-N 1 2 348.878 2.364 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn4c3C[C@@H](C)CC4)[C@@H]2C1 ZINC001076511453 1188962997 /nfs/dbraw/zinc/96/29/97/1188962997.db2.gz SUFUTTXRUAOWND-RVSPLBMKSA-N 1 2 348.878 2.364 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001077146737 1189354892 /nfs/dbraw/zinc/35/48/92/1189354892.db2.gz ZJOXGNMSIRYZFJ-IFXJQAMLSA-N 1 2 347.459 2.246 20 30 EEEDLO C#CCCCCC(=O)N[C@@H](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001077143762 1189356941 /nfs/dbraw/zinc/35/69/41/1189356941.db2.gz IBGRBLMIARVTAI-HNNXBMFYSA-N 1 2 346.475 2.131 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(C)nc2cc(C)nn21 ZINC001483425282 1190472425 /nfs/dbraw/zinc/47/24/25/1190472425.db2.gz XEOCOQVOGCJCNG-ZDUSSCGKSA-N 1 2 335.839 2.149 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(C)nc2cc(C)nn21 ZINC001483425282 1190472426 /nfs/dbraw/zinc/47/24/26/1190472426.db2.gz XEOCOQVOGCJCNG-ZDUSSCGKSA-N 1 2 335.839 2.149 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CC[C@H]3CC[C@H](C)O3)c2C1 ZINC001128598780 1194455743 /nfs/dbraw/zinc/45/57/43/1194455743.db2.gz IWRDJIZWBBORJR-DOTOQJQBSA-N 1 2 346.475 2.239 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CC[C@H]3CC[C@H](C)O3)c2C1 ZINC001128598780 1194455746 /nfs/dbraw/zinc/45/57/46/1194455746.db2.gz IWRDJIZWBBORJR-DOTOQJQBSA-N 1 2 346.475 2.239 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCc1cnn2c1C[N@H+](CC/C=C/CC)CC2 ZINC001128602427 1194469790 /nfs/dbraw/zinc/46/97/90/1194469790.db2.gz IEQMMCLQJACHAS-MOEXGYKKSA-N 1 2 346.475 2.262 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCc1cnn2c1C[N@@H+](CC/C=C/CC)CC2 ZINC001128602427 1194469792 /nfs/dbraw/zinc/46/97/92/1194469792.db2.gz IEQMMCLQJACHAS-MOEXGYKKSA-N 1 2 346.475 2.262 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2c(C)cc(C)[nH]c2=O)C1 ZINC001033355598 1194485587 /nfs/dbraw/zinc/48/55/87/1194485587.db2.gz LXAGBPGDXKQFOT-AWEZNQCLSA-N 1 2 337.851 2.232 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c(C)cc(C)[nH]c2=O)C1 ZINC001033355598 1194485589 /nfs/dbraw/zinc/48/55/89/1194485589.db2.gz LXAGBPGDXKQFOT-AWEZNQCLSA-N 1 2 337.851 2.232 20 30 EEEDLO Cc1nocc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033378600 1194504769 /nfs/dbraw/zinc/50/47/69/1194504769.db2.gz MFBXPGWDRAOEGP-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1nocc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033378600 1194504772 /nfs/dbraw/zinc/50/47/72/1194504772.db2.gz MFBXPGWDRAOEGP-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001033515348 1194655178 /nfs/dbraw/zinc/65/51/78/1194655178.db2.gz VJCIVWZKNLUTEK-CQSZACIVSA-N 1 2 345.834 2.371 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001033515348 1194655180 /nfs/dbraw/zinc/65/51/80/1194655180.db2.gz VJCIVWZKNLUTEK-CQSZACIVSA-N 1 2 345.834 2.371 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)c2ccn(C)c2)CC1 ZINC001005247165 1194975620 /nfs/dbraw/zinc/97/56/20/1194975620.db2.gz QKQSQTJQPZHFFH-UHFFFAOYSA-N 1 2 340.265 2.470 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001033793898 1195281094 /nfs/dbraw/zinc/28/10/94/1195281094.db2.gz FYNDHCZTIQQNFT-CQSZACIVSA-N 1 2 343.456 2.388 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001033793898 1195281099 /nfs/dbraw/zinc/28/10/99/1195281099.db2.gz FYNDHCZTIQQNFT-CQSZACIVSA-N 1 2 343.456 2.388 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)Oc1cccc(C)c1 ZINC001018059132 1224270570 /nfs/dbraw/zinc/27/05/70/1224270570.db2.gz KKMPAYOMXYKIIR-ZIFCJYIRSA-N 1 2 326.440 2.461 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)Oc1cccc(C)c1 ZINC001018059132 1224270580 /nfs/dbraw/zinc/27/05/80/1224270580.db2.gz KKMPAYOMXYKIIR-ZIFCJYIRSA-N 1 2 326.440 2.461 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001033902265 1195455315 /nfs/dbraw/zinc/45/53/15/1195455315.db2.gz FFZRSPFLOQSOAI-XUWVNRHRSA-N 1 2 326.868 2.477 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001033902265 1195455318 /nfs/dbraw/zinc/45/53/18/1195455318.db2.gz FFZRSPFLOQSOAI-XUWVNRHRSA-N 1 2 326.868 2.477 20 30 EEEDLO C[C@H](CCCCNc1ncccc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001090156705 1195513397 /nfs/dbraw/zinc/51/33/97/1195513397.db2.gz KLOIRKXXXIADBR-CYBMUJFWSA-N 1 2 326.404 2.006 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]2OCCN(c3cc(C)[nH+]c(CC)n3)[C@H]2C1 ZINC001090175272 1195597543 /nfs/dbraw/zinc/59/75/43/1195597543.db2.gz APKQWJSVJRCAPO-JKSUJKDBSA-N 1 2 344.459 2.120 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)oc1C ZINC001034158534 1195846690 /nfs/dbraw/zinc/84/66/90/1195846690.db2.gz BSFSENSEMBZEBP-OAHLLOKOSA-N 1 2 341.415 2.276 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)oc1C ZINC001034158534 1195846695 /nfs/dbraw/zinc/84/66/95/1195846695.db2.gz BSFSENSEMBZEBP-OAHLLOKOSA-N 1 2 341.415 2.276 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)c2cccs2)C1 ZINC001108118804 1195868013 /nfs/dbraw/zinc/86/80/13/1195868013.db2.gz BTJMAJYPVCLRGN-SFHVURJKSA-N 1 2 334.485 2.256 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)c2cccs2)C1 ZINC001108118804 1195868018 /nfs/dbraw/zinc/86/80/18/1195868018.db2.gz BTJMAJYPVCLRGN-SFHVURJKSA-N 1 2 334.485 2.256 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@H+](CCc2ccns2)CCO1 ZINC001108121987 1195969650 /nfs/dbraw/zinc/96/96/50/1195969650.db2.gz KVOOSLZWGRLKNE-KRWDZBQOSA-N 1 2 337.489 2.105 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@@H+](CCc2ccns2)CCO1 ZINC001108121987 1195969653 /nfs/dbraw/zinc/96/96/53/1195969653.db2.gz KVOOSLZWGRLKNE-KRWDZBQOSA-N 1 2 337.489 2.105 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnc3nccnc3c2)C1 ZINC001034246226 1195998474 /nfs/dbraw/zinc/99/84/74/1195998474.db2.gz WHKDJSUUBOXIHQ-CQSZACIVSA-N 1 2 345.834 2.362 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnc3nccnc3c2)C1 ZINC001034246226 1195998476 /nfs/dbraw/zinc/99/84/76/1195998476.db2.gz WHKDJSUUBOXIHQ-CQSZACIVSA-N 1 2 345.834 2.362 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnn(CCF)c2)C1 ZINC001034279646 1196041466 /nfs/dbraw/zinc/04/14/66/1196041466.db2.gz VFDMTMSRGWFICH-AWEZNQCLSA-N 1 2 328.819 2.189 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnn(CCF)c2)C1 ZINC001034279646 1196041469 /nfs/dbraw/zinc/04/14/69/1196041469.db2.gz VFDMTMSRGWFICH-AWEZNQCLSA-N 1 2 328.819 2.189 20 30 EEEDLO N#Cc1cnccc1N1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001061774016 1196518460 /nfs/dbraw/zinc/51/84/60/1196518460.db2.gz LMPCXVVBYWWMNI-CYBMUJFWSA-N 1 2 346.394 2.086 20 30 EEEDLO C#Cc1cncc(C(=O)NCc2ccc(C[NH2+]Cc3ccon3)cc2)c1 ZINC001034825131 1196788242 /nfs/dbraw/zinc/78/82/42/1196788242.db2.gz XXGHVVNJOYACQY-UHFFFAOYSA-N 1 2 346.390 2.271 20 30 EEEDLO CCOCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)cc(C#N)c2)C1=O ZINC001273237336 1197640704 /nfs/dbraw/zinc/64/07/04/1197640704.db2.gz PDQMZJSZEYKMLL-IBGZPJMESA-N 1 2 345.418 2.301 20 30 EEEDLO CCOCCN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)cc(C#N)c2)C1=O ZINC001273237336 1197640707 /nfs/dbraw/zinc/64/07/07/1197640707.db2.gz PDQMZJSZEYKMLL-IBGZPJMESA-N 1 2 345.418 2.301 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CN(c2[nH+]cnc3c2cnn3C)CC1(C)C ZINC001114485304 1197904470 /nfs/dbraw/zinc/90/44/70/1197904470.db2.gz ZZCPNNLXEGVEPC-AWEZNQCLSA-N 1 2 342.447 2.051 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4csc(C)n4)C[C@H]32)CCC1 ZINC001114396963 1197921622 /nfs/dbraw/zinc/92/16/22/1197921622.db2.gz GDQUFNQBRBKFHN-ZSHCYNCHSA-N 1 2 329.469 2.192 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4csc(C)n4)C[C@H]32)CCC1 ZINC001114396963 1197921625 /nfs/dbraw/zinc/92/16/25/1197921625.db2.gz GDQUFNQBRBKFHN-ZSHCYNCHSA-N 1 2 329.469 2.192 20 30 EEEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]NC(=S)NC(C)(C)C ZINC000794879884 1198421908 /nfs/dbraw/zinc/42/19/08/1198421908.db2.gz ZDYSQXPFPOWXHA-UHFFFAOYSA-N 1 2 330.461 2.359 20 30 EEEDLO COc1ccc(C[N@@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)nn1 ZINC001132033261 1199217222 /nfs/dbraw/zinc/21/72/22/1199217222.db2.gz CPBOTCXIUHBAKO-LSDHHAIUSA-N 1 2 344.459 2.004 20 30 EEEDLO COc1ccc(C[N@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)nn1 ZINC001132033261 1199217223 /nfs/dbraw/zinc/21/72/23/1199217223.db2.gz CPBOTCXIUHBAKO-LSDHHAIUSA-N 1 2 344.459 2.004 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCC2CC2)C1 ZINC001132057280 1199244256 /nfs/dbraw/zinc/24/42/56/1199244256.db2.gz MJSFUYOUQJTHNE-YJBOKZPZSA-N 1 2 347.503 2.250 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NCC2CC2)C1 ZINC001132057280 1199244259 /nfs/dbraw/zinc/24/42/59/1199244259.db2.gz MJSFUYOUQJTHNE-YJBOKZPZSA-N 1 2 347.503 2.250 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1CC(=O)Nc1ccccc1 ZINC001132046242 1199252187 /nfs/dbraw/zinc/25/21/87/1199252187.db2.gz NJPQTVIJCHGYLW-YJBOKZPZSA-N 1 2 339.439 2.008 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1CC(=O)Nc1ccccc1 ZINC001132046242 1199252191 /nfs/dbraw/zinc/25/21/91/1199252191.db2.gz NJPQTVIJCHGYLW-YJBOKZPZSA-N 1 2 339.439 2.008 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2cc(C)sc2C)CC[C@H]1C ZINC001132158185 1199373106 /nfs/dbraw/zinc/37/31/06/1199373106.db2.gz YMFFFMXXLHULIQ-DOMZBBRYSA-N 1 2 349.500 2.250 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)sc2C)CC[C@H]1C ZINC001132158185 1199373114 /nfs/dbraw/zinc/37/31/14/1199373114.db2.gz YMFFFMXXLHULIQ-DOMZBBRYSA-N 1 2 349.500 2.250 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCC(C)C)C1 ZINC001132221249 1199459696 /nfs/dbraw/zinc/45/96/96/1199459696.db2.gz DWMRGDPRKSNUTL-CVEARBPZSA-N 1 2 337.508 2.330 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC(C)C)C1 ZINC001132221249 1199459698 /nfs/dbraw/zinc/45/96/98/1199459698.db2.gz DWMRGDPRKSNUTL-CVEARBPZSA-N 1 2 337.508 2.330 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(NC(C)=O)CCCC2)CC[C@@H]1C ZINC001132355247 1199598421 /nfs/dbraw/zinc/59/84/21/1199598421.db2.gz WOWGPAKMICFYDR-DZGCQCFKSA-N 1 2 341.883 2.157 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(NC(C)=O)CCCC2)CC[C@@H]1C ZINC001132355247 1199598423 /nfs/dbraw/zinc/59/84/23/1199598423.db2.gz WOWGPAKMICFYDR-DZGCQCFKSA-N 1 2 341.883 2.157 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCc2cn(C)nc2C)CC[C@@H]1C ZINC001132339140 1199600616 /nfs/dbraw/zinc/60/06/16/1199600616.db2.gz CQDYIQWAABKRMT-BBRMVZONSA-N 1 2 338.883 2.383 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCc2cn(C)nc2C)CC[C@@H]1C ZINC001132339140 1199600620 /nfs/dbraw/zinc/60/06/20/1199600620.db2.gz CQDYIQWAABKRMT-BBRMVZONSA-N 1 2 338.883 2.383 20 30 EEEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000811642189 1200200911 /nfs/dbraw/zinc/20/09/11/1200200911.db2.gz ZZAFCGSFGVZKAB-UHFFFAOYSA-N 1 2 345.362 2.023 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)CC3(O)CCCCC3)CCO2)c1 ZINC000878322526 1200394959 /nfs/dbraw/zinc/39/49/59/1200394959.db2.gz LDOQLVOEYUBYCP-RBUKOAKNSA-N 1 2 344.455 2.378 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)CC3(O)CCCCC3)CCO2)c1 ZINC000878322526 1200394968 /nfs/dbraw/zinc/39/49/68/1200394968.db2.gz LDOQLVOEYUBYCP-RBUKOAKNSA-N 1 2 344.455 2.378 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(CC3(CC#N)CC3)CC2)C1 ZINC000878620964 1200578740 /nfs/dbraw/zinc/57/87/40/1200578740.db2.gz AXTFRFXLVFDCII-MRXNPFEDSA-N 1 2 348.491 2.307 20 30 EEEDLO CC(C)(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1O)C1CC1 ZINC001090507181 1200660427 /nfs/dbraw/zinc/66/04/27/1200660427.db2.gz MPFRTSXYENSBMT-ZWKOTPCHSA-N 1 2 341.455 2.046 20 30 EEEDLO CC(C)(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1O)C1CC1 ZINC001090507181 1200660432 /nfs/dbraw/zinc/66/04/32/1200660432.db2.gz MPFRTSXYENSBMT-ZWKOTPCHSA-N 1 2 341.455 2.046 20 30 EEEDLO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879584987 1201158339 /nfs/dbraw/zinc/15/83/39/1201158339.db2.gz OXYPGCOEKBYCGP-CVEARBPZSA-N 1 2 328.460 2.374 20 30 EEEDLO N#Cc1cnc(N2CCN(c3cccc[nH+]3)CC2)c(Br)c1 ZINC000881741812 1201749463 /nfs/dbraw/zinc/74/94/63/1201749463.db2.gz RWPNQVDIVKFJPW-UHFFFAOYSA-N 1 2 344.216 2.437 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)Nc1nccc(Oc2cccc(C#N)c2)n1 ZINC000881808875 1201763823 /nfs/dbraw/zinc/76/38/23/1201763823.db2.gz ILLXVFQYMMVCRK-CQSZACIVSA-N 1 2 339.399 2.273 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NCC1CCN(c2cc[nH+]c(C)n2)CC1)OCC ZINC001095368178 1204214799 /nfs/dbraw/zinc/21/47/99/1204214799.db2.gz PVWGDDNXQJVPMD-QGZVFWFLSA-N 1 2 346.475 2.489 20 30 EEEDLO COCCCN1c2ccccc2C2(CC[NH+](CCC#N)CC2)C1=O ZINC001274031917 1204337627 /nfs/dbraw/zinc/33/76/27/1204337627.db2.gz CFDJUPHVMOWGBT-UHFFFAOYSA-N 1 2 327.428 2.317 20 30 EEEDLO C#CCSCC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000889231934 1204592366 /nfs/dbraw/zinc/59/23/66/1204592366.db2.gz ZWOLYOBPIHQHLF-UHFFFAOYSA-N 1 2 331.485 2.204 20 30 EEEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3cccc(Cl)c3O)C2)OCC1=O ZINC001274229007 1204968875 /nfs/dbraw/zinc/96/88/75/1204968875.db2.gz XLFJMHVAMNNPQN-QGZVFWFLSA-N 1 2 336.819 2.035 20 30 EEEDLO C=CCN1C[C@]2(CC[N@H+](Cc3cccc(Cl)c3O)C2)OCC1=O ZINC001274229007 1204968877 /nfs/dbraw/zinc/96/88/77/1204968877.db2.gz XLFJMHVAMNNPQN-QGZVFWFLSA-N 1 2 336.819 2.035 20 30 EEEDLO C=CCN1CC[C@]2(CC[N@@H+](Cc3nc4ccc(F)cc4[nH]3)C2)C1=O ZINC001274381071 1205016304 /nfs/dbraw/zinc/01/63/04/1205016304.db2.gz MBIURGTYDJGTBX-SFHVURJKSA-N 1 2 328.391 2.312 20 30 EEEDLO C=CCN1CC[C@]2(CC[N@H+](Cc3nc4ccc(F)cc4[nH]3)C2)C1=O ZINC001274381071 1205016306 /nfs/dbraw/zinc/01/63/06/1205016306.db2.gz MBIURGTYDJGTBX-SFHVURJKSA-N 1 2 328.391 2.312 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cc(Cl)cc(C#N)c2)C1=O ZINC001274420119 1205030275 /nfs/dbraw/zinc/03/02/75/1205030275.db2.gz MEACJBSZZFTPQY-GOSISDBHSA-N 1 2 327.815 2.412 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(Cl)cc(C#N)c2)C1=O ZINC001274420119 1205030276 /nfs/dbraw/zinc/03/02/76/1205030276.db2.gz MEACJBSZZFTPQY-GOSISDBHSA-N 1 2 327.815 2.412 20 30 EEEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1nc(Cl)ccc1F)CC2 ZINC001274496694 1205057204 /nfs/dbraw/zinc/05/72/04/1205057204.db2.gz GGRFJAWHTGBSKA-GFCCVEGCSA-N 1 2 335.810 2.226 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccsc1Cl)C2 ZINC001274859858 1205190153 /nfs/dbraw/zinc/19/01/53/1205190153.db2.gz ZACXKTJTLSJUOQ-INIZCTEOSA-N 1 2 338.860 2.086 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccsc1Cl)C2 ZINC001274859858 1205190156 /nfs/dbraw/zinc/19/01/56/1205190156.db2.gz ZACXKTJTLSJUOQ-INIZCTEOSA-N 1 2 338.860 2.086 20 30 EEEDLO CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(C#N)c1 ZINC001275414777 1205348483 /nfs/dbraw/zinc/34/84/83/1205348483.db2.gz ZNLJLVQEUAZKAX-CALCHBBNSA-N 1 2 330.407 2.464 20 30 EEEDLO CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc(C#N)c1 ZINC001275414777 1205348485 /nfs/dbraw/zinc/34/84/85/1205348485.db2.gz ZNLJLVQEUAZKAX-CALCHBBNSA-N 1 2 330.407 2.464 20 30 EEEDLO CSc1nc(CN2CC3(CC[N@@H+]3Cc3ccc[nH]3)C2)ccc1C#N ZINC001275499518 1205386419 /nfs/dbraw/zinc/38/64/19/1205386419.db2.gz GKHRRAOCPBLSRG-UHFFFAOYSA-N 1 2 339.468 2.464 20 30 EEEDLO CSc1nc(CN2CC3(CC[N@H+]3Cc3ccc[nH]3)C2)ccc1C#N ZINC001275499518 1205386421 /nfs/dbraw/zinc/38/64/21/1205386421.db2.gz GKHRRAOCPBLSRG-UHFFFAOYSA-N 1 2 339.468 2.464 20 30 EEEDLO Cn1cncc1CN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2C#N)C1=O ZINC001275679232 1205479734 /nfs/dbraw/zinc/47/97/34/1205479734.db2.gz LQHGCUKWFWDXGU-FQEVSTJZSA-N 1 2 349.438 2.059 20 30 EEEDLO Cn1cncc1CN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2C#N)C1=O ZINC001275679232 1205479735 /nfs/dbraw/zinc/47/97/35/1205479735.db2.gz LQHGCUKWFWDXGU-FQEVSTJZSA-N 1 2 349.438 2.059 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095418629 1205722385 /nfs/dbraw/zinc/72/23/85/1205722385.db2.gz TVAITGPWZFXGOD-AWEZNQCLSA-N 1 2 344.459 2.339 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110939782 1206339735 /nfs/dbraw/zinc/33/97/35/1206339735.db2.gz BHGRMKWENPZELJ-RDTXWAMCSA-N 1 2 332.448 2.099 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@]2(C)CCCN(c3cc[nH+]c(C)n3)C2)nc1 ZINC001110941790 1206354696 /nfs/dbraw/zinc/35/46/96/1206354696.db2.gz MGQZJDZVNFDGSV-FQEVSTJZSA-N 1 2 349.438 2.198 20 30 EEEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000930760292 1206580606 /nfs/dbraw/zinc/58/06/06/1206580606.db2.gz HVRBZVLWQBMEHC-LSDHHAIUSA-N 1 2 346.431 2.210 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ccon2)C[C@@H]1C ZINC000947088898 1207681352 /nfs/dbraw/zinc/68/13/52/1207681352.db2.gz KRLYZXKUDNBXII-WDEREUQCSA-N 1 2 328.210 2.166 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ccon2)C[C@@H]1C ZINC000947088898 1207681354 /nfs/dbraw/zinc/68/13/54/1207681354.db2.gz KRLYZXKUDNBXII-WDEREUQCSA-N 1 2 328.210 2.166 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nnn1CC ZINC001111072568 1207941942 /nfs/dbraw/zinc/94/19/42/1207941942.db2.gz NJHZZYVKTIJKEN-OAGGEKHMSA-N 1 2 345.491 2.430 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nnn1CC ZINC001111072568 1207941945 /nfs/dbraw/zinc/94/19/45/1207941945.db2.gz NJHZZYVKTIJKEN-OAGGEKHMSA-N 1 2 345.491 2.430 20 30 EEEDLO C=CCCC1(C(=O)NCCCN(C)c2[nH+]cnc3c2cnn3C)CC1 ZINC001095728118 1208014753 /nfs/dbraw/zinc/01/47/53/1208014753.db2.gz QEVCZCKLBJNXRH-UHFFFAOYSA-N 1 2 342.447 2.052 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ncc(C)o3)[C@@H](C)C2)nc1 ZINC000947943833 1208787444 /nfs/dbraw/zinc/78/74/44/1208787444.db2.gz OVTNLMKUHVWMOR-XJKSGUPXSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncc(C)o3)[C@@H](C)C2)nc1 ZINC000947943833 1208787445 /nfs/dbraw/zinc/78/74/45/1208787445.db2.gz OVTNLMKUHVWMOR-XJKSGUPXSA-N 1 2 338.411 2.142 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc[nH]2)C[C@H]1C ZINC000948061734 1208850122 /nfs/dbraw/zinc/85/01/22/1208850122.db2.gz YTCQQOJMAVVDGA-TZMCWYRMSA-N 1 2 340.265 2.435 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc[nH]2)C[C@H]1C ZINC000948061734 1208850123 /nfs/dbraw/zinc/85/01/23/1208850123.db2.gz YTCQQOJMAVVDGA-TZMCWYRMSA-N 1 2 340.265 2.435 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCCO1 ZINC000948910228 1209448211 /nfs/dbraw/zinc/44/82/11/1209448211.db2.gz MLIIIDLQBKBTQE-OALUTQOASA-N 1 2 326.440 2.294 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCCO1 ZINC000948910228 1209448213 /nfs/dbraw/zinc/44/82/13/1209448213.db2.gz MLIIIDLQBKBTQE-OALUTQOASA-N 1 2 326.440 2.294 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cncc(OC)c1C ZINC000948933067 1209460378 /nfs/dbraw/zinc/46/03/78/1209460378.db2.gz UCGYFLLISBIUIQ-IBGZPJMESA-N 1 2 349.434 2.361 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cncc(OC)c1C ZINC000948933067 1209460380 /nfs/dbraw/zinc/46/03/80/1209460380.db2.gz UCGYFLLISBIUIQ-IBGZPJMESA-N 1 2 349.434 2.361 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1Cc2ccccc2O1 ZINC000948936473 1209462497 /nfs/dbraw/zinc/46/24/97/1209462497.db2.gz REDTWPLSYCLJCP-TZIWHRDSSA-N 1 2 346.430 2.339 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1Cc2ccccc2O1 ZINC000948936473 1209462500 /nfs/dbraw/zinc/46/25/00/1209462500.db2.gz REDTWPLSYCLJCP-TZIWHRDSSA-N 1 2 346.430 2.339 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cccn2ccnc12 ZINC000948970513 1209480514 /nfs/dbraw/zinc/48/05/14/1209480514.db2.gz ZMCKYPZQFXGIPR-IBGZPJMESA-N 1 2 344.418 2.297 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cccn2ccnc12 ZINC000948970513 1209480516 /nfs/dbraw/zinc/48/05/16/1209480516.db2.gz ZMCKYPZQFXGIPR-IBGZPJMESA-N 1 2 344.418 2.297 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2ccc(OC)cc2)C1 ZINC000949853977 1209886303 /nfs/dbraw/zinc/88/63/03/1209886303.db2.gz BSEBIOLUVNBXPA-UHFFFAOYSA-N 1 2 338.411 2.241 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)NC(C)=O)C2 ZINC001111299624 1209950666 /nfs/dbraw/zinc/95/06/66/1209950666.db2.gz CVAOLQNZZGJIOY-FPCVCCKLSA-N 1 2 341.883 2.011 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)NC(C)=O)C2 ZINC001111299624 1209950667 /nfs/dbraw/zinc/95/06/67/1209950667.db2.gz CVAOLQNZZGJIOY-FPCVCCKLSA-N 1 2 341.883 2.011 20 30 EEEDLO CCN(C(=O)[C@H]1CC1(F)F)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000950026845 1209987632 /nfs/dbraw/zinc/98/76/32/1209987632.db2.gz XKYXDCSQRXMDMQ-MRXNPFEDSA-N 1 2 349.381 2.277 20 30 EEEDLO CCc1cc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)c(C)nn1 ZINC001015389997 1225185248 /nfs/dbraw/zinc/18/52/48/1225185248.db2.gz ZNDILEFMEILGSL-LJQANCHMSA-N 1 2 348.450 2.203 20 30 EEEDLO CCc1cc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c(C)nn1 ZINC001015389997 1225185257 /nfs/dbraw/zinc/18/52/57/1225185257.db2.gz ZNDILEFMEILGSL-LJQANCHMSA-N 1 2 348.450 2.203 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCc3ccc(F)cc3O2)C1 ZINC000950881973 1210482042 /nfs/dbraw/zinc/48/20/42/1210482042.db2.gz HUCIPFDLWNLFNL-KRWDZBQOSA-N 1 2 330.403 2.075 20 30 EEEDLO CCN(CCCNC(=O)CCc1[nH]cc[nH+]1)c1cccc(F)c1C#N ZINC001095876992 1211658101 /nfs/dbraw/zinc/65/81/01/1211658101.db2.gz OHBCPMRFZFXYHD-UHFFFAOYSA-N 1 2 343.406 2.386 20 30 EEEDLO CCN(CCCNC(=O)CCc1[nH]cc[nH+]1)c1snc(C)c1C#N ZINC001095877177 1211678327 /nfs/dbraw/zinc/67/83/27/1211678327.db2.gz ZEZUCSAQUAXPCI-UHFFFAOYSA-N 1 2 346.460 2.012 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)nc(C(C)C)[nH]c2=O)C1 ZINC001015478325 1225309426 /nfs/dbraw/zinc/30/94/26/1225309426.db2.gz WKGRTVDKNSLZMD-GFCCVEGCSA-N 1 2 338.839 2.171 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)c(F)c1 ZINC001015582095 1225424669 /nfs/dbraw/zinc/42/46/69/1225424669.db2.gz VZJGQDOCLVWQKK-LTIDMASMSA-N 1 2 327.403 2.434 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)c(F)c1 ZINC001015582095 1225424673 /nfs/dbraw/zinc/42/46/73/1225424673.db2.gz VZJGQDOCLVWQKK-LTIDMASMSA-N 1 2 327.403 2.434 20 30 EEEDLO Cc1ncccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001015630718 1225488354 /nfs/dbraw/zinc/48/83/54/1225488354.db2.gz DEOQKNJEBRMTBU-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1ncccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001015630718 1225488358 /nfs/dbraw/zinc/48/83/58/1225488358.db2.gz DEOQKNJEBRMTBU-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[NH+]([C@H]3CCN(C(=O)C(C)(C)C)C3)CC2)C1 ZINC000956606294 1214127810 /nfs/dbraw/zinc/12/78/10/1214127810.db2.gz ROWRGCYEBNBGNZ-INIZCTEOSA-N 1 2 347.503 2.134 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ncccn3)C[C@H]21 ZINC001114686945 1214935995 /nfs/dbraw/zinc/93/59/95/1214935995.db2.gz UUJDBYFZPKWZAF-LISAXSMJSA-N 1 2 326.444 2.168 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ncccn3)C[C@H]21 ZINC001114686945 1214935997 /nfs/dbraw/zinc/93/59/97/1214935997.db2.gz UUJDBYFZPKWZAF-LISAXSMJSA-N 1 2 326.444 2.168 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2Oc3ccccc3O[C@@H]2C)C1 ZINC000957372279 1215083602 /nfs/dbraw/zinc/08/36/02/1215083602.db2.gz IVAIWMZNHZZVKC-KDOFPFPSSA-N 1 2 330.428 2.324 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(-c4ccco4)no3)C[C@H]21 ZINC001114756123 1215240681 /nfs/dbraw/zinc/24/06/81/1215240681.db2.gz VMEYGFUGVKQVQS-LAQFHYBYSA-N 1 2 342.399 2.232 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(-c4ccco4)no3)C[C@H]21 ZINC001114756123 1215240685 /nfs/dbraw/zinc/24/06/85/1215240685.db2.gz VMEYGFUGVKQVQS-LAQFHYBYSA-N 1 2 342.399 2.232 20 30 EEEDLO C[C@@H](CC(=O)N1CCC2(CCN(CC#N)CC2)CC1)n1cc[nH+]c1 ZINC000957614390 1215257838 /nfs/dbraw/zinc/25/78/38/1215257838.db2.gz FUOJTYRPMBHOSR-INIZCTEOSA-N 1 2 329.448 2.062 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccnc(C3CC3)n2)C1 ZINC001015783196 1225664469 /nfs/dbraw/zinc/66/44/69/1225664469.db2.gz MBHHYDRWJCXSOG-QGZVFWFLSA-N 1 2 347.422 2.230 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(C3CC3)n2)C1 ZINC001015783196 1225664473 /nfs/dbraw/zinc/66/44/73/1225664473.db2.gz MBHHYDRWJCXSOG-QGZVFWFLSA-N 1 2 347.422 2.230 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+](C)C[C@@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)o1 ZINC000960566068 1216690026 /nfs/dbraw/zinc/69/00/26/1216690026.db2.gz WUNCJPSUZRTMGP-ZFWWWQNUSA-N 1 2 341.415 2.480 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+](C)C[C@@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)o1 ZINC000960566068 1216690027 /nfs/dbraw/zinc/69/00/27/1216690027.db2.gz WUNCJPSUZRTMGP-ZFWWWQNUSA-N 1 2 341.415 2.480 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2ccn(C)n2)cc1 ZINC000960784770 1216895291 /nfs/dbraw/zinc/89/52/91/1216895291.db2.gz YHTZYGBFLIHIQU-IBGZPJMESA-N 1 2 336.439 2.138 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ccn(C)n2)cc1 ZINC000960784770 1216895298 /nfs/dbraw/zinc/89/52/98/1216895298.db2.gz YHTZYGBFLIHIQU-IBGZPJMESA-N 1 2 336.439 2.138 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2cnnn2CC)C1 ZINC000960846782 1216939834 /nfs/dbraw/zinc/93/98/34/1216939834.db2.gz LRXZPAPGTPQUMU-OAHLLOKOSA-N 1 2 331.464 2.077 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2cnnn2CC)C1 ZINC000960846782 1216939837 /nfs/dbraw/zinc/93/98/37/1216939837.db2.gz LRXZPAPGTPQUMU-OAHLLOKOSA-N 1 2 331.464 2.077 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC000961996411 1217441587 /nfs/dbraw/zinc/44/15/87/1217441587.db2.gz SVUAVPCMERRLPC-CTTHAOKLSA-N 1 2 347.484 2.061 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21 ZINC000961996411 1217441590 /nfs/dbraw/zinc/44/15/90/1217441590.db2.gz SVUAVPCMERRLPC-CTTHAOKLSA-N 1 2 347.484 2.061 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N2CCC[C@H]([C@@H]3CCCN3CC#N)C2)c[nH+]1 ZINC000963326991 1217522208 /nfs/dbraw/zinc/52/22/08/1217522208.db2.gz ZYYZYKOJJUXSCT-IRXDYDNUSA-N 1 2 343.475 2.153 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)c(C)o1 ZINC001015898395 1225801702 /nfs/dbraw/zinc/80/17/02/1225801702.db2.gz NSOBCMVRZWLIQV-HNNXBMFYSA-N 1 2 342.374 2.307 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)c(C)o1 ZINC001015898395 1225801706 /nfs/dbraw/zinc/80/17/06/1225801706.db2.gz NSOBCMVRZWLIQV-HNNXBMFYSA-N 1 2 342.374 2.307 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000967096104 1220269494 /nfs/dbraw/zinc/26/94/94/1220269494.db2.gz SWYUFDCGFUTRKI-OAHLLOKOSA-N 1 2 346.475 2.216 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000967633666 1220694579 /nfs/dbraw/zinc/69/45/79/1220694579.db2.gz YOVSHQGTYZKFSI-BEFAXECRSA-N 1 2 346.475 2.394 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3nonc3c2)C1 ZINC000968158519 1221093424 /nfs/dbraw/zinc/09/34/24/1221093424.db2.gz YTMXNFYUWARXKO-ZUZCIYMTSA-N 1 2 334.807 2.416 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3nonc3c2)C1 ZINC000968158519 1221093426 /nfs/dbraw/zinc/09/34/26/1221093426.db2.gz YTMXNFYUWARXKO-ZUZCIYMTSA-N 1 2 334.807 2.416 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cnn3ccc(C)nc23)C1 ZINC000968557150 1221400426 /nfs/dbraw/zinc/40/04/26/1221400426.db2.gz KLOUDINSNCMPIY-XHDPSFHLSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cnn3ccc(C)nc23)C1 ZINC000968557150 1221400430 /nfs/dbraw/zinc/40/04/30/1221400430.db2.gz KLOUDINSNCMPIY-XHDPSFHLSA-N 1 2 347.850 2.230 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)co1 ZINC000968815638 1221594523 /nfs/dbraw/zinc/59/45/23/1221594523.db2.gz BEKNEXZLJQOLQF-KRWDZBQOSA-N 1 2 341.415 2.357 20 30 EEEDLO Cc1nc(C[N@H+]2CCCCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)co1 ZINC000968815638 1221594526 /nfs/dbraw/zinc/59/45/26/1221594526.db2.gz BEKNEXZLJQOLQF-KRWDZBQOSA-N 1 2 341.415 2.357 20 30 EEEDLO CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2cn[nH]c21 ZINC000968858383 1221627361 /nfs/dbraw/zinc/62/73/61/1221627361.db2.gz CTNRSFTZKLEJOC-IRXDYDNUSA-N 1 2 328.460 2.214 20 30 EEEDLO CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2cn[nH]c21 ZINC000968858383 1221627363 /nfs/dbraw/zinc/62/73/63/1221627363.db2.gz CTNRSFTZKLEJOC-IRXDYDNUSA-N 1 2 328.460 2.214 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1cnon1 ZINC000968891502 1221650546 /nfs/dbraw/zinc/65/05/46/1221650546.db2.gz ZZLHPURLUYGFMW-INIZCTEOSA-N 1 2 343.431 2.232 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1cnon1 ZINC000968891502 1221650550 /nfs/dbraw/zinc/65/05/50/1221650550.db2.gz ZZLHPURLUYGFMW-INIZCTEOSA-N 1 2 343.431 2.232 20 30 EEEDLO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1)n1cccn1 ZINC001006787253 1221943058 /nfs/dbraw/zinc/94/30/58/1221943058.db2.gz HJUBEBZBMRTGMX-QAPCUYQASA-N 1 2 337.427 2.097 20 30 EEEDLO C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)n1cccn1 ZINC001006787253 1221943060 /nfs/dbraw/zinc/94/30/60/1221943060.db2.gz HJUBEBZBMRTGMX-QAPCUYQASA-N 1 2 337.427 2.097 20 30 EEEDLO Cc1cc(CC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)no1 ZINC001006950734 1222031320 /nfs/dbraw/zinc/03/13/20/1222031320.db2.gz MNZOZABAIZOXKQ-KRWDZBQOSA-N 1 2 338.411 2.178 20 30 EEEDLO Cc1cc(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)no1 ZINC001006950734 1222031323 /nfs/dbraw/zinc/03/13/23/1222031323.db2.gz MNZOZABAIZOXKQ-KRWDZBQOSA-N 1 2 338.411 2.178 20 30 EEEDLO CCn1ccnc1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001007232751 1222139772 /nfs/dbraw/zinc/13/97/72/1222139772.db2.gz ICICYQVZMKXLOP-GOSISDBHSA-N 1 2 336.439 2.149 20 30 EEEDLO CCn1ccnc1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001007232751 1222139774 /nfs/dbraw/zinc/13/97/74/1222139774.db2.gz ICICYQVZMKXLOP-GOSISDBHSA-N 1 2 336.439 2.149 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1ccsn1 ZINC001007594236 1222314664 /nfs/dbraw/zinc/31/46/64/1222314664.db2.gz YCIOUWWWMRRTRX-MRXNPFEDSA-N 1 2 325.437 2.389 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1ccsn1 ZINC001007594236 1222314666 /nfs/dbraw/zinc/31/46/66/1222314666.db2.gz YCIOUWWWMRRTRX-MRXNPFEDSA-N 1 2 325.437 2.389 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2nc(C)c3cccnc32)C1 ZINC001008017142 1222568694 /nfs/dbraw/zinc/56/86/94/1222568694.db2.gz VQIHDDUNLAVNMI-CQSZACIVSA-N 1 2 347.850 2.073 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2nc(C)c3cccnc32)C1 ZINC001008017142 1222568699 /nfs/dbraw/zinc/56/86/99/1222568699.db2.gz VQIHDDUNLAVNMI-CQSZACIVSA-N 1 2 347.850 2.073 20 30 EEEDLO CCc1nc[nH]c1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001009366476 1223223934 /nfs/dbraw/zinc/22/39/34/1223223934.db2.gz TZJCBGDMUFIFIB-KRWDZBQOSA-N 1 2 336.439 2.218 20 30 EEEDLO CCc1nc[nH]c1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001009366476 1223223936 /nfs/dbraw/zinc/22/39/36/1223223936.db2.gz TZJCBGDMUFIFIB-KRWDZBQOSA-N 1 2 336.439 2.218 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(NC(N)=O)c2)C1 ZINC001009473482 1223256458 /nfs/dbraw/zinc/25/64/58/1223256458.db2.gz XZAAMTNQUISWQH-CQSZACIVSA-N 1 2 336.823 2.124 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(NC(N)=O)c2)C1 ZINC001009473482 1223256461 /nfs/dbraw/zinc/25/64/61/1223256461.db2.gz XZAAMTNQUISWQH-CQSZACIVSA-N 1 2 336.823 2.124 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(P(C)(C)=O)cc2)C1 ZINC001009602001 1223297652 /nfs/dbraw/zinc/29/76/52/1223297652.db2.gz JFHLVIDUPKHIKT-INIZCTEOSA-N 1 2 332.384 2.152 20 30 EEEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(P(C)(C)=O)cc2)C1 ZINC001009602001 1223297654 /nfs/dbraw/zinc/29/76/54/1223297654.db2.gz JFHLVIDUPKHIKT-INIZCTEOSA-N 1 2 332.384 2.152 20 30 EEEDLO Cc1cccnc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010492243 1223746712 /nfs/dbraw/zinc/74/67/12/1223746712.db2.gz SWWOPQMMMQETHW-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cccnc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010492243 1223746715 /nfs/dbraw/zinc/74/67/15/1223746715.db2.gz SWWOPQMMMQETHW-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1ccn(C)c1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010765201 1223896368 /nfs/dbraw/zinc/89/63/68/1223896368.db2.gz CGCRNSRDTUAWLC-SFHVURJKSA-N 1 2 339.414 2.328 20 30 EEEDLO Cc1ccn(C)c1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010765201 1223896371 /nfs/dbraw/zinc/89/63/71/1223896371.db2.gz CGCRNSRDTUAWLC-SFHVURJKSA-N 1 2 339.414 2.328 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001016353117 1226380959 /nfs/dbraw/zinc/38/09/59/1226380959.db2.gz ITBYJJOIYYQVRX-CYBMUJFWSA-N 1 2 331.807 2.028 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001016353117 1226380962 /nfs/dbraw/zinc/38/09/62/1226380962.db2.gz ITBYJJOIYYQVRX-CYBMUJFWSA-N 1 2 331.807 2.028 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ncnn2C)C1 ZINC001017179424 1227200282 /nfs/dbraw/zinc/20/02/82/1227200282.db2.gz IRZGGJBBUCKEKV-HNNXBMFYSA-N 1 2 333.480 2.088 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ncnn2C)C1 ZINC001017179424 1227200287 /nfs/dbraw/zinc/20/02/87/1227200287.db2.gz IRZGGJBBUCKEKV-HNNXBMFYSA-N 1 2 333.480 2.088 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2nnc(C)[nH]2)C1 ZINC001017200661 1227221895 /nfs/dbraw/zinc/22/18/95/1227221895.db2.gz CKQSOQUFPOAVSH-MAUKXSAKSA-N 1 2 333.480 2.386 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2nnc(C)[nH]2)C1 ZINC001017200661 1227221898 /nfs/dbraw/zinc/22/18/98/1227221898.db2.gz CKQSOQUFPOAVSH-MAUKXSAKSA-N 1 2 333.480 2.386 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H](C[N@H+](C)Cc2nncn2C)C1 ZINC001017201727 1227222864 /nfs/dbraw/zinc/22/28/64/1227222864.db2.gz METYRZQCIMKMNH-QAPCUYQASA-N 1 2 333.480 2.088 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2nncn2C)C1 ZINC001017201727 1227222866 /nfs/dbraw/zinc/22/28/66/1227222866.db2.gz METYRZQCIMKMNH-QAPCUYQASA-N 1 2 333.480 2.088 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc(C(C)C)c1 ZINC001017578278 1227540320 /nfs/dbraw/zinc/54/03/20/1227540320.db2.gz QCWDEKYBFPRQOW-HDICACEKSA-N 1 2 326.440 2.497 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc(C(C)C)c1 ZINC001017578278 1227540327 /nfs/dbraw/zinc/54/03/27/1227540327.db2.gz QCWDEKYBFPRQOW-HDICACEKSA-N 1 2 326.440 2.497 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC001017768427 1227711609 /nfs/dbraw/zinc/71/16/09/1227711609.db2.gz BAXMDOFJANFGHB-ZIFCJYIRSA-N 1 2 338.451 2.478 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC001017768427 1227711614 /nfs/dbraw/zinc/71/16/14/1227711614.db2.gz BAXMDOFJANFGHB-ZIFCJYIRSA-N 1 2 338.451 2.478 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nc(CCC)no3)C2)cc1 ZINC001019224264 1228892411 /nfs/dbraw/zinc/89/24/11/1228892411.db2.gz JMHFMDORADQSHE-INIZCTEOSA-N 1 2 338.411 2.008 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CCCOCC2)cc1F ZINC001038219017 1229691839 /nfs/dbraw/zinc/69/18/39/1229691839.db2.gz VDOAAYJXDWDCQP-RDJZCZTQSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CCCOCC2)cc1F ZINC001038219017 1229691840 /nfs/dbraw/zinc/69/18/40/1229691840.db2.gz VDOAAYJXDWDCQP-RDJZCZTQSA-N 1 2 345.418 2.205 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C(N)=O)c2)CC1 ZINC001038662231 1229958739 /nfs/dbraw/zinc/95/87/39/1229958739.db2.gz PHHGLENVRKIINC-GOSISDBHSA-N 1 2 341.455 2.222 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C(N)=O)c2)CC1 ZINC001038662231 1229958740 /nfs/dbraw/zinc/95/87/40/1229958740.db2.gz PHHGLENVRKIINC-GOSISDBHSA-N 1 2 341.455 2.222 20 30 EEEDLO Cc1c(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)c(F)c2)ccn1C ZINC001038676732 1229970320 /nfs/dbraw/zinc/97/03/20/1229970320.db2.gz NDHCOXXANZKQGT-INIZCTEOSA-N 1 2 340.402 2.349 20 30 EEEDLO Cc1c(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)c(F)c2)ccn1C ZINC001038676732 1229970323 /nfs/dbraw/zinc/97/03/23/1229970323.db2.gz NDHCOXXANZKQGT-INIZCTEOSA-N 1 2 340.402 2.349 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C(C)C)n1 ZINC001038709389 1229990322 /nfs/dbraw/zinc/99/03/22/1229990322.db2.gz ZHQJEDYCLISMGQ-LMMKCTJWSA-N 1 2 343.471 2.487 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C(C)C)n1 ZINC001038709389 1229990324 /nfs/dbraw/zinc/99/03/24/1229990324.db2.gz ZHQJEDYCLISMGQ-LMMKCTJWSA-N 1 2 343.471 2.487 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)c(C)n1C ZINC001039014113 1230236309 /nfs/dbraw/zinc/23/63/09/1230236309.db2.gz XSYMDEGQSGBEGO-LJQANCHMSA-N 1 2 335.451 2.498 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)c(C)n1C ZINC001039014113 1230236313 /nfs/dbraw/zinc/23/63/13/1230236313.db2.gz XSYMDEGQSGBEGO-LJQANCHMSA-N 1 2 335.451 2.498 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2cccnc12 ZINC001039414868 1230594897 /nfs/dbraw/zinc/59/48/97/1230594897.db2.gz PHFJGQSVZZGOAX-KGLIPLIRSA-N 1 2 345.834 2.161 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2cccnc12 ZINC001039414868 1230594900 /nfs/dbraw/zinc/59/49/00/1230594900.db2.gz PHFJGQSVZZGOAX-KGLIPLIRSA-N 1 2 345.834 2.161 20 30 EEEDLO C[C@H]1[C@@H](Nc2cccc(F)c2C#N)CCN1C(=O)CCn1cc[nH+]c1 ZINC001040211974 1231106544 /nfs/dbraw/zinc/10/65/44/1231106544.db2.gz KGKQOXZDNFGLJH-BBRMVZONSA-N 1 2 341.390 2.385 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(C)o4)[C@@H]3C2)C1 ZINC001042223824 1231966094 /nfs/dbraw/zinc/96/60/94/1231966094.db2.gz HDFUKRUHQCSSAM-HUUCEWRRSA-N 1 2 330.432 2.157 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(C)o4)[C@@H]3C2)C1 ZINC001042223824 1231966097 /nfs/dbraw/zinc/96/60/97/1231966097.db2.gz HDFUKRUHQCSSAM-HUUCEWRRSA-N 1 2 330.432 2.157 20 30 EEEDLO C[C@H]1CCCC[C@@H]1OCC[NH+]1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001042614189 1232121141 /nfs/dbraw/zinc/12/11/41/1232121141.db2.gz FKFMXOYCBKUYLJ-KSSFIOAISA-N 1 2 344.459 2.238 20 30 EEEDLO Cc1ccc(OCC[NH+]2CC(N(C)C(=O)c3c[nH]c(C#N)c3)C2)cc1 ZINC001042631085 1232125615 /nfs/dbraw/zinc/12/56/15/1232125615.db2.gz TYYCAVCIDPZNOD-UHFFFAOYSA-N 1 2 338.411 2.030 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@@H](O)c3ccccc3)C2)cc1 ZINC001043506033 1232464987 /nfs/dbraw/zinc/46/49/87/1232464987.db2.gz LUDGJUOBRPEUMS-HXUWFJFHSA-N 1 2 334.419 2.158 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H]2C[C@@H]2OCC)CC1 ZINC001045374932 1233702491 /nfs/dbraw/zinc/70/24/91/1233702491.db2.gz MPAMUDFZYGEOGN-STQMWFEESA-N 1 2 345.281 2.291 20 30 EEEDLO C#Cc1cncc(C(=O)NC2(C)CC[NH+]([C@@H](C)c3ncccn3)CC2)c1 ZINC001045551489 1233813202 /nfs/dbraw/zinc/81/32/02/1233813202.db2.gz MEGPRCGUWBAOMX-HNNXBMFYSA-N 1 2 349.438 2.198 20 30 EEEDLO N#Cc1ccccc1N1CCCN(C(=O)CNc2cccc[nH+]2)CC1 ZINC000900207028 1234090607 /nfs/dbraw/zinc/09/06/07/1234090607.db2.gz IVXLOQAIMIVXAJ-UHFFFAOYSA-N 1 2 335.411 2.104 20 30 EEEDLO Cc1cccc(Cl)c1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046056451 1234385509 /nfs/dbraw/zinc/38/55/09/1234385509.db2.gz DQRFZPLWYWIGPO-OAHLLOKOSA-N 1 2 346.862 2.004 20 30 EEEDLO CC1(C)CCC[C@H](CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046076614 1234410587 /nfs/dbraw/zinc/41/05/87/1234410587.db2.gz GZLUOQKDIJGZRP-MSOLQXFVSA-N 1 2 346.519 2.335 20 30 EEEDLO C[C@@]1(NC(=O)c2cncs2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046172597 1234514179 /nfs/dbraw/zinc/51/41/79/1234514179.db2.gz CQRTUANTKRSVNO-QGZVFWFLSA-N 1 2 326.425 2.409 20 30 EEEDLO 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EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(C(C)C)c1Cl ZINC001051046727 1244904429 /nfs/dbraw/zinc/90/44/29/1244904429.db2.gz TWWIIPNTVYEHRF-CYBMUJFWSA-N 1 2 340.855 2.124 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(C(C)C)c1Cl ZINC001051046727 1244904437 /nfs/dbraw/zinc/90/44/37/1244904437.db2.gz TWWIIPNTVYEHRF-CYBMUJFWSA-N 1 2 340.855 2.124 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C(F)(F)F)ccn1 ZINC001051193599 1245372534 /nfs/dbraw/zinc/37/25/34/1245372534.db2.gz JAFQEYZBVPDGER-CYBMUJFWSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C(F)(F)F)ccn1 ZINC001051193599 1245372540 /nfs/dbraw/zinc/37/25/40/1245372540.db2.gz JAFQEYZBVPDGER-CYBMUJFWSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001051232858 1245421347 /nfs/dbraw/zinc/42/13/47/1245421347.db2.gz XCBWIQXOCGVZBK-KRWDZBQOSA-N 1 2 329.444 2.356 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001051232858 1245421353 /nfs/dbraw/zinc/42/13/53/1245421353.db2.gz XCBWIQXOCGVZBK-KRWDZBQOSA-N 1 2 329.444 2.356 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(OC)c(Cl)c1 ZINC001051239097 1245427729 /nfs/dbraw/zinc/42/77/29/1245427729.db2.gz HBXYAIHLSIVLMM-CQSZACIVSA-N 1 2 338.835 2.355 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(OC)c(Cl)c1 ZINC001051239097 1245427732 /nfs/dbraw/zinc/42/77/32/1245427732.db2.gz HBXYAIHLSIVLMM-CQSZACIVSA-N 1 2 338.835 2.355 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)c3nc(COC)no3)C[C@@]2(C)C1 ZINC001101167386 1245474883 /nfs/dbraw/zinc/47/48/83/1245474883.db2.gz BBXMYKMBKZNWQQ-IYOUNJFTSA-N 1 2 348.447 2.024 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@H+]([C@@H](C)c3nc(COC)no3)C[C@@]2(C)C1 ZINC001101167386 1245474885 /nfs/dbraw/zinc/47/48/85/1245474885.db2.gz BBXMYKMBKZNWQQ-IYOUNJFTSA-N 1 2 348.447 2.024 20 30 EEEDLO C=C(C)CCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001051333251 1245563928 /nfs/dbraw/zinc/56/39/28/1245563928.db2.gz ZKXYXJOBNMLFDR-HZPDHXFCSA-N 1 2 346.475 2.062 20 30 EEEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C)n3CC)C[C@@]2(C)C1 ZINC001101346895 1245692886 /nfs/dbraw/zinc/69/28/86/1245692886.db2.gz MDWNMKGAWNZFJM-APWZRJJASA-N 1 2 345.491 2.243 20 30 EEEDLO C=CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C)n3CC)C[C@@]2(C)C1 ZINC001101346895 1245692888 /nfs/dbraw/zinc/69/28/88/1245692888.db2.gz MDWNMKGAWNZFJM-APWZRJJASA-N 1 2 345.491 2.243 20 30 EEEDLO C=CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001101347818 1245694701 /nfs/dbraw/zinc/69/47/01/1245694701.db2.gz KDUIQTFOQPRHSQ-BEFAXECRSA-N 1 2 343.475 2.319 20 30 EEEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001101347818 1245694710 /nfs/dbraw/zinc/69/47/10/1245694710.db2.gz KDUIQTFOQPRHSQ-BEFAXECRSA-N 1 2 343.475 2.319 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)CCC1CCCC1)c1nccn12 ZINC001101602802 1246014548 /nfs/dbraw/zinc/01/45/48/1246014548.db2.gz PLONXOSBVHWWSS-KRWDZBQOSA-N 1 2 340.471 2.449 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc3c(c1)[C@@H](C)CO3)CCO2 ZINC001053387296 1246268322 /nfs/dbraw/zinc/26/83/22/1246268322.db2.gz BVCPXZYKDXZAQR-HNNXBMFYSA-N 1 2 342.439 2.285 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C3C(C)(C)C3(C)C)C2)CC1 ZINC001052004529 1246365571 /nfs/dbraw/zinc/36/55/71/1246365571.db2.gz NAVDTIVOEWJNCH-MRXNPFEDSA-N 1 2 333.520 2.463 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(OC)c(C)c1)CCO2 ZINC001053471103 1246369061 /nfs/dbraw/zinc/36/90/61/1246369061.db2.gz XBCSZPOOQOXQOC-UHFFFAOYSA-N 1 2 330.428 2.107 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)C3(C(F)F)CC3)C2)CC1 ZINC001052027327 1246390525 /nfs/dbraw/zinc/39/05/25/1246390525.db2.gz DVDJKJPVUMZRRL-ZDUSSCGKSA-N 1 2 347.837 2.003 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3[nH]ccc3C3CC3)C2)CC1 ZINC001052035532 1246403962 /nfs/dbraw/zinc/40/39/62/1246403962.db2.gz LFFSLGZHODUYKU-KRWDZBQOSA-N 1 2 342.487 2.300 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(C(C)C)nc3)C2)CC1 ZINC001052036638 1246404975 /nfs/dbraw/zinc/40/49/75/1246404975.db2.gz RCJNGFPUPXEFKU-SFHVURJKSA-N 1 2 342.487 2.223 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1cc(C)ccc1F)CCO2 ZINC001053513365 1246416622 /nfs/dbraw/zinc/41/66/22/1246416622.db2.gz ASNMYXAKDWOCDX-UHFFFAOYSA-N 1 2 332.419 2.166 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C)sc3C)C2)CC1 ZINC001052046690 1246418038 /nfs/dbraw/zinc/41/80/38/1246418038.db2.gz CISYGXOJSYKTLH-INIZCTEOSA-N 1 2 333.501 2.383 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C3CCC4(CC4)CC3)C2)CC1 ZINC001052048678 1246418435 /nfs/dbraw/zinc/41/84/35/1246418435.db2.gz ARXZLAUNBDQUKB-LJQANCHMSA-N 1 2 343.515 2.199 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](F)Cc1ccccc1)CCO2 ZINC001053539976 1246450548 /nfs/dbraw/zinc/45/05/48/1246450548.db2.gz CDACFQUKUWZKGS-QGZVFWFLSA-N 1 2 332.419 2.057 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CC[C@@H]3CCCCO3)C2)CC1 ZINC001052094274 1246474087 /nfs/dbraw/zinc/47/40/87/1246474087.db2.gz RICLRONQHUVYFU-OALUTQOASA-N 1 2 349.519 2.130 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(C(F)F)c3)C2)CC1 ZINC001052110655 1246491045 /nfs/dbraw/zinc/49/10/45/1246491045.db2.gz VMXJTPINEHKZIH-QGZVFWFLSA-N 1 2 347.409 2.090 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn(C(C)(C)C)c1C)O2 ZINC001053605727 1246521707 /nfs/dbraw/zinc/52/17/07/1246521707.db2.gz KMAQJUMDPBTYJK-OAHLLOKOSA-N 1 2 346.475 2.096 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C(C)(C)C)on1)O2 ZINC001053631429 1246561685 /nfs/dbraw/zinc/56/16/85/1246561685.db2.gz XFFRKEQSSZYDEU-CYBMUJFWSA-N 1 2 333.432 2.121 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc(C)nc1C(C)C)O2 ZINC001053669686 1246617189 /nfs/dbraw/zinc/61/71/89/1246617189.db2.gz FJPRUDUIJHXTFV-OAHLLOKOSA-N 1 2 344.459 2.058 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc(OCC)c1)O2 ZINC001053672796 1246623608 /nfs/dbraw/zinc/62/36/08/1246623608.db2.gz NYWIQUAPVCDJFD-KRWDZBQOSA-N 1 2 330.428 2.235 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1coc(C3CCC3)n1)O2 ZINC001053688004 1246652529 /nfs/dbraw/zinc/65/25/29/1246652529.db2.gz HTQHSORZYDXQLN-AWEZNQCLSA-N 1 2 331.416 2.091 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc3sccc3[nH]1)O2 ZINC001053687896 1246653095 /nfs/dbraw/zinc/65/30/95/1246653095.db2.gz DERHBKASYSJRKE-GFCCVEGCSA-N 1 2 331.441 2.379 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnn1C1CCCC1)CO2 ZINC001053818463 1246836533 /nfs/dbraw/zinc/83/65/33/1246836533.db2.gz KHLSHWXDFSCPMH-HNNXBMFYSA-N 1 2 344.459 2.147 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1cc(C)c(Cl)cn1)CO2 ZINC001053844390 1246895888 /nfs/dbraw/zinc/89/58/88/1246895888.db2.gz HXGIHKSWOBFBMK-HNNXBMFYSA-N 1 2 349.862 2.122 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1nccc3ccccc31)CO2 ZINC001053908799 1246998575 /nfs/dbraw/zinc/99/85/75/1246998575.db2.gz ABDJIMGLXYYBPS-MRXNPFEDSA-N 1 2 337.423 2.384 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(OC)cc1C)CO2 ZINC001053909645 1246999876 /nfs/dbraw/zinc/99/98/76/1246999876.db2.gz HVGRGGBTOWTHEP-HNNXBMFYSA-N 1 2 330.428 2.153 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C)c(F)c1F)CO2 ZINC001053935703 1247032518 /nfs/dbraw/zinc/03/25/18/1247032518.db2.gz VSEYFZHEVGJVOH-CYBMUJFWSA-N 1 2 336.382 2.422 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1F)CO2 ZINC001053949189 1247054556 /nfs/dbraw/zinc/05/45/56/1247054556.db2.gz AAUMQYJGMJQJBL-BHYGNILZSA-N 1 2 344.430 2.465 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1coc(C3CCCC3)n1)CO2 ZINC001053968944 1247080866 /nfs/dbraw/zinc/08/08/66/1247080866.db2.gz AEUSMZPOEOTNNA-HNNXBMFYSA-N 1 2 345.443 2.481 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1sccc1COC)CO2 ZINC001053981855 1247105951 /nfs/dbraw/zinc/10/59/51/1247105951.db2.gz WNCQSCKQJICDPU-AWEZNQCLSA-N 1 2 336.457 2.044 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1(c3ccccc3)CC1)CO2 ZINC001054001338 1247133123 /nfs/dbraw/zinc/13/31/23/1247133123.db2.gz VWLAMWYLDKFSMS-KRWDZBQOSA-N 1 2 326.440 2.254 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3cccc(F)c3o1)CO2 ZINC001054012493 1247146723 /nfs/dbraw/zinc/14/67/23/1247146723.db2.gz FAIUUPFRLVVUTR-CQSZACIVSA-N 1 2 342.370 2.168 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1(c3ccccc3C)CC1)CO2 ZINC001054023559 1247164560 /nfs/dbraw/zinc/16/45/60/1247164560.db2.gz BUWISVKAGBZYRM-KRWDZBQOSA-N 1 2 338.451 2.009 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccc(CC)n1 ZINC001054042653 1247207548 /nfs/dbraw/zinc/20/75/48/1247207548.db2.gz DXZRVNXAUNRYLQ-IBGZPJMESA-N 1 2 333.435 2.434 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccc(CC)n1 ZINC001054042653 1247207559 /nfs/dbraw/zinc/20/75/59/1247207559.db2.gz DXZRVNXAUNRYLQ-IBGZPJMESA-N 1 2 333.435 2.434 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1c(C)[nH]nc1Cl ZINC001054043086 1247208978 /nfs/dbraw/zinc/20/89/78/1247208978.db2.gz PSHHPQJQNXKTID-OAHLLOKOSA-N 1 2 342.830 2.161 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1c(C)[nH]nc1Cl ZINC001054043086 1247208985 /nfs/dbraw/zinc/20/89/85/1247208985.db2.gz PSHHPQJQNXKTID-OAHLLOKOSA-N 1 2 342.830 2.161 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccn(CC)n1 ZINC001054055226 1247249466 /nfs/dbraw/zinc/24/94/66/1247249466.db2.gz HCOBNPPFXNKFGA-SFHVURJKSA-N 1 2 336.439 2.083 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccn(CC)n1 ZINC001054055226 1247249475 /nfs/dbraw/zinc/24/94/75/1247249475.db2.gz HCOBNPPFXNKFGA-SFHVURJKSA-N 1 2 336.439 2.083 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cnc(C2CC2)nc1 ZINC001054055674 1247250462 /nfs/dbraw/zinc/25/04/62/1247250462.db2.gz PNCARYYGVJKSCI-IBGZPJMESA-N 1 2 346.434 2.144 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cnc(C2CC2)nc1 ZINC001054055674 1247250472 /nfs/dbraw/zinc/25/04/72/1247250472.db2.gz PNCARYYGVJKSCI-IBGZPJMESA-N 1 2 346.434 2.144 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1c(C)cc(=O)[nH]c1C ZINC001054059473 1247268388 /nfs/dbraw/zinc/26/83/88/1247268388.db2.gz PYAAEMNIOUHJPO-GOSISDBHSA-N 1 2 349.434 2.194 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1c(C)cc(=O)[nH]c1C 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C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)NCC(C)C ZINC001234508838 1304945858 /nfs/dbraw/zinc/94/58/58/1304945858.db2.gz CUHPHZCPDOLNJT-SJLPKXTDSA-N 1 2 349.519 2.448 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccnc(OC)c2)CCC1 ZINC001235209158 1305150249 /nfs/dbraw/zinc/15/02/49/1305150249.db2.gz JVRCIOCVNDBEOE-QGZVFWFLSA-N 1 2 341.455 2.317 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccnc(OC)c2)CCC1 ZINC001235209158 1305150250 /nfs/dbraw/zinc/15/02/50/1305150250.db2.gz JVRCIOCVNDBEOE-QGZVFWFLSA-N 1 2 341.455 2.317 20 30 EEEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CCCCCC1 ZINC001235438905 1305229674 /nfs/dbraw/zinc/22/96/74/1305229674.db2.gz RWIAUIALOAVAHC-DLBZAZTESA-N 1 2 347.503 2.018 20 30 EEEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CCCCCC1 ZINC001235438905 1305229681 /nfs/dbraw/zinc/22/96/81/1305229681.db2.gz RWIAUIALOAVAHC-DLBZAZTESA-N 1 2 347.503 2.018 20 30 EEEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC001235464068 1305242839 /nfs/dbraw/zinc/24/28/39/1305242839.db2.gz GDAXENJHTZTFKZ-UHFFFAOYSA-N 1 2 327.432 2.172 20 30 EEEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC001235464068 1305242844 /nfs/dbraw/zinc/24/28/44/1305242844.db2.gz GDAXENJHTZTFKZ-UHFFFAOYSA-N 1 2 327.432 2.172 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)Cc1cncs1 ZINC001235654687 1305317133 /nfs/dbraw/zinc/31/71/33/1305317133.db2.gz YXKCVRDLBZNRRG-MRXNPFEDSA-N 1 2 340.452 2.290 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)Cc1cncs1 ZINC001235654687 1305317143 /nfs/dbraw/zinc/31/71/43/1305317143.db2.gz YXKCVRDLBZNRRG-MRXNPFEDSA-N 1 2 340.452 2.290 20 30 EEEDLO Cc1cc(N[C@@H](C)CN(C)C(=O)c2cc(C#N)c[nH]2)nc(C2CC2)[nH+]1 ZINC001115697859 1305632056 /nfs/dbraw/zinc/63/20/56/1305632056.db2.gz WUJIAESVVHPQRC-LBPRGKRZSA-N 1 2 338.415 2.435 20 30 EEEDLO C=CCn1cnn(C[N@H+]2CC[C@@](C(=O)OCC)(C(C)C)C2)c1=S ZINC001116816538 1305920759 /nfs/dbraw/zinc/92/07/59/1305920759.db2.gz CUBUSXJVKBQZCP-INIZCTEOSA-N 1 2 338.477 2.469 20 30 EEEDLO C=CCn1cnn(C[N@@H+]2CC[C@@](C(=O)OCC)(C(C)C)C2)c1=S ZINC001116816538 1305920764 /nfs/dbraw/zinc/92/07/64/1305920764.db2.gz CUBUSXJVKBQZCP-INIZCTEOSA-N 1 2 338.477 2.469 20 30 EEEDLO C=CCCn1cc(C[NH2+]C[C@@H]2CC(c3ccc(C)cc3)=NO2)nn1 ZINC001119450754 1309076431 /nfs/dbraw/zinc/07/64/31/1309076431.db2.gz NJGYKJNGXASNRQ-KRWDZBQOSA-N 1 2 325.416 2.445 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H](Nc2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC001123281971 1310513065 /nfs/dbraw/zinc/51/30/65/1310513065.db2.gz YAJIONSAHNVVPH-CHWSQXEVSA-N 1 2 342.447 2.367 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)OC(C)(C)C)n2CC2CC2)CC1 ZINC001123631774 1310648839 /nfs/dbraw/zinc/64/88/39/1310648839.db2.gz FUNUYGZXEUNMNW-OAHLLOKOSA-N 1 2 345.491 2.319 20 30 EEEDLO Cc1cccnc1N1CC[NH+](Cc2cnn3ccc(C#N)cc23)CC1 ZINC001249082225 1310989764 /nfs/dbraw/zinc/98/97/64/1310989764.db2.gz LQWYOAHRNJRQJW-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1nc(C)c(Cl)c(C)c1C#N ZINC001160691044 1320235236 /nfs/dbraw/zinc/23/52/36/1320235236.db2.gz MRKGHMBYHIIEJB-CYBMUJFWSA-N 1 2 347.806 2.153 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+]2CCCO[C@H](CNC(=O)C#CC(C)(C)C)C2)o1 ZINC001149700168 1316018838 /nfs/dbraw/zinc/01/88/38/1316018838.db2.gz GJGMIOLNISFAIC-HZPDHXFCSA-N 1 2 347.459 2.301 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+]2CCCO[C@H](CNC(=O)C#CC(C)(C)C)C2)o1 ZINC001149700168 1316018841 /nfs/dbraw/zinc/01/88/41/1316018841.db2.gz GJGMIOLNISFAIC-HZPDHXFCSA-N 1 2 347.459 2.301 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](OCC)C(C)C)C1 ZINC001149721878 1316025441 /nfs/dbraw/zinc/02/54/41/1316025441.db2.gz UCKJRFGCBMHPOR-HUUCEWRRSA-N 1 2 332.872 2.007 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](OCC)C(C)C)C1 ZINC001149721878 1316025445 /nfs/dbraw/zinc/02/54/45/1316025445.db2.gz UCKJRFGCBMHPOR-HUUCEWRRSA-N 1 2 332.872 2.007 20 30 EEEDLO CC#CCCCC(=O)NC[C@H]1C[N@H+](Cc2nc(C)cs2)CCCO1 ZINC001150115023 1316162990 /nfs/dbraw/zinc/16/29/90/1316162990.db2.gz BMGSNPFCIAICMJ-INIZCTEOSA-N 1 2 349.500 2.352 20 30 EEEDLO CC#CCCCC(=O)NC[C@H]1C[N@@H+](Cc2nc(C)cs2)CCCO1 ZINC001150115023 1316162993 /nfs/dbraw/zinc/16/29/93/1316162993.db2.gz BMGSNPFCIAICMJ-INIZCTEOSA-N 1 2 349.500 2.352 20 30 EEEDLO C#CCCCC(=O)NC1(CCOC)CC[NH+](Cc2cc(C)on2)CC1 ZINC001151090724 1316446041 /nfs/dbraw/zinc/44/60/41/1316446041.db2.gz DPHAZWWABXDIFK-UHFFFAOYSA-N 1 2 347.459 2.274 20 30 EEEDLO C=CCCCC(=O)NC1(CCOC)CC[NH+](Cc2nccn2C)CC1 ZINC001151288427 1316496589 /nfs/dbraw/zinc/49/65/89/1316496589.db2.gz RSJMLWUUXRSOPS-UHFFFAOYSA-N 1 2 348.491 2.264 20 30 EEEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H]1CCCO1 ZINC001151755434 1316585633 /nfs/dbraw/zinc/58/56/33/1316585633.db2.gz LKGWPLIGJGCVOR-CXAGYDPISA-N 1 2 333.407 2.203 20 30 EEEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@H]1CCCO1 ZINC001151755434 1316585635 /nfs/dbraw/zinc/58/56/35/1316585635.db2.gz LKGWPLIGJGCVOR-CXAGYDPISA-N 1 2 333.407 2.203 20 30 EEEDLO C=C[C@@H](C(=O)NCC[NH2+]Cc1nnc(C2CC2)o1)c1ccccc1 ZINC001151990203 1316617416 /nfs/dbraw/zinc/61/74/16/1316617416.db2.gz DDFQMOLNVRTYSM-OAHLLOKOSA-N 1 2 326.400 2.123 20 30 EEEDLO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2snnc2C)CCC1 ZINC001153783565 1316882159 /nfs/dbraw/zinc/88/21/59/1316882159.db2.gz MASDLODLMSHXAC-CYBMUJFWSA-N 1 2 334.489 2.367 20 30 EEEDLO C#CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2snnc2C)CCC1 ZINC001153783565 1316882161 /nfs/dbraw/zinc/88/21/61/1316882161.db2.gz MASDLODLMSHXAC-CYBMUJFWSA-N 1 2 334.489 2.367 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1cnc(C)n1C ZINC001154844763 1317346923 /nfs/dbraw/zinc/34/69/23/1317346923.db2.gz YTSXYLOMOJYEHY-LLVKDONJSA-N 1 2 343.269 2.077 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1cnc(C)n1C ZINC001154844763 1317346926 /nfs/dbraw/zinc/34/69/26/1317346926.db2.gz YTSXYLOMOJYEHY-LLVKDONJSA-N 1 2 343.269 2.077 20 30 EEEDLO C#CCOC[C@@H](O)C[N@@H+]1CCn2nc(-c3ccc(Cl)cc3)cc2C1 ZINC001251857333 1317510041 /nfs/dbraw/zinc/51/00/41/1317510041.db2.gz ALFVLIYINYAUDS-KRWDZBQOSA-N 1 2 345.830 2.030 20 30 EEEDLO C#CCOC[C@@H](O)C[N@H+]1CCn2nc(-c3ccc(Cl)cc3)cc2C1 ZINC001251857333 1317510046 /nfs/dbraw/zinc/51/00/46/1317510046.db2.gz ALFVLIYINYAUDS-KRWDZBQOSA-N 1 2 345.830 2.030 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CC(=O)Nc1ccon1 ZINC001155484468 1317617862 /nfs/dbraw/zinc/61/78/62/1317617862.db2.gz HVCXYKVCWSPHTL-CYBMUJFWSA-N 1 2 336.436 2.042 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccon1 ZINC001155484468 1317617867 /nfs/dbraw/zinc/61/78/67/1317617867.db2.gz HVCXYKVCWSPHTL-CYBMUJFWSA-N 1 2 336.436 2.042 20 30 EEEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1CCN(C2CCOCC2)C(=O)C1 ZINC001253240997 1317807005 /nfs/dbraw/zinc/80/70/05/1317807005.db2.gz QMNLHUSOTZETIF-GOSISDBHSA-N 1 2 338.492 2.197 20 30 EEEDLO C=CCCCCCC[C@@H](O)C[N@H+]1CCN(C2CCOCC2)C(=O)C1 ZINC001253240997 1317807015 /nfs/dbraw/zinc/80/70/15/1317807015.db2.gz QMNLHUSOTZETIF-GOSISDBHSA-N 1 2 338.492 2.197 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncccn1 ZINC001156617386 1318110283 /nfs/dbraw/zinc/11/02/83/1318110283.db2.gz IOSNHDXNAWTOQN-MRXNPFEDSA-N 1 2 336.439 2.027 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncccn1 ZINC001156617386 1318110287 /nfs/dbraw/zinc/11/02/87/1318110287.db2.gz IOSNHDXNAWTOQN-MRXNPFEDSA-N 1 2 336.439 2.027 20 30 EEEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC)C(=O)OCC ZINC001255194449 1318316403 /nfs/dbraw/zinc/31/64/03/1318316403.db2.gz LHFFZKCNPRVPAE-VPKNTQAGSA-N 1 2 336.432 2.236 20 30 EEEDLO COc1cc(N2CCN(c3cc(Cl)cc(C#N)n3)CC2)cc[nH+]1 ZINC001158098485 1319012210 /nfs/dbraw/zinc/01/22/10/1319012210.db2.gz BUWIRDANQCZLGR-UHFFFAOYSA-N 1 2 329.791 2.337 20 30 EEEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCC2(COC2)CC1 ZINC001257904957 1319102871 /nfs/dbraw/zinc/10/28/71/1319102871.db2.gz OLABNZTVRNHFGS-QGZVFWFLSA-N 1 2 328.412 2.191 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H](Nc2nc3cc(F)ccc3c(Cl)c2C#N)C[NH2+]1 ZINC001158260083 1319119836 /nfs/dbraw/zinc/11/98/36/1319119836.db2.gz UIPBGCMUZRKDSH-RNCFNFMXSA-N 1 2 348.765 2.214 20 30 EEEDLO N#Cc1ncc(Cl)nc1N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001158622238 1319339169 /nfs/dbraw/zinc/33/91/69/1319339169.db2.gz BZUDJHCGFAJNTH-LLVKDONJSA-N 1 2 327.766 2.311 20 30 EEEDLO C#CCCCC(=O)NCCC1=CC[N@H+]([C@@H](C)c2ncccn2)CC1 ZINC001159964087 1320034591 /nfs/dbraw/zinc/03/45/91/1320034591.db2.gz DBRZXHKRLRBWNI-INIZCTEOSA-N 1 2 326.444 2.480 20 30 EEEDLO C#CCCCC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ncccn2)CC1 ZINC001159964087 1320034595 /nfs/dbraw/zinc/03/45/95/1320034595.db2.gz DBRZXHKRLRBWNI-INIZCTEOSA-N 1 2 326.444 2.480 20 30 EEEDLO C#CCOCCOCCNc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC001160675238 1320229753 /nfs/dbraw/zinc/22/97/53/1320229753.db2.gz QRRUZLAGUPLZSW-UHFFFAOYSA-N 1 2 328.347 2.329 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2nc(C)no2)CC1 ZINC001160940313 1320323683 /nfs/dbraw/zinc/32/36/83/1320323683.db2.gz BRGBEQFMEXNQLG-ZIAGYGMSSA-N 1 2 332.448 2.475 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nc(C)no2)CC1 ZINC001160940313 1320323686 /nfs/dbraw/zinc/32/36/86/1320323686.db2.gz BRGBEQFMEXNQLG-ZIAGYGMSSA-N 1 2 332.448 2.475 20 30 EEEDLO CCOC(=O)C[NH+]1CCC(Nc2ncc3c(c2C#N)CCCC3)CC1 ZINC001161088271 1320381641 /nfs/dbraw/zinc/38/16/41/1320381641.db2.gz ZRGVTMRENVAUGD-UHFFFAOYSA-N 1 2 342.443 2.271 20 30 EEEDLO C=CCCOCC(=O)NCCC1=CC[N@H+]([C@@H](C)c2ncccn2)CC1 ZINC001161978315 1320705500 /nfs/dbraw/zinc/70/55/00/1320705500.db2.gz RRUNRSUFUKYJOT-INIZCTEOSA-N 1 2 344.459 2.269 20 30 EEEDLO C=CCCOCC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ncccn2)CC1 ZINC001161978315 1320705506 /nfs/dbraw/zinc/70/55/06/1320705506.db2.gz RRUNRSUFUKYJOT-INIZCTEOSA-N 1 2 344.459 2.269 20 30 EEEDLO C#C[C@H](C)Nc1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001163160788 1321054762 /nfs/dbraw/zinc/05/47/62/1321054762.db2.gz COQKTJJSFGSECO-KRWDZBQOSA-N 1 2 348.450 2.473 20 30 EEEDLO COc1cc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cc(OC)c1OC ZINC001203844669 1321973889 /nfs/dbraw/zinc/97/38/89/1321973889.db2.gz ZROBDELOQFKADT-HNNXBMFYSA-N 1 2 335.425 2.487 20 30 EEEDLO COc1cc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cc(OC)c1OC ZINC001203844669 1321973890 /nfs/dbraw/zinc/97/38/90/1321973890.db2.gz ZROBDELOQFKADT-HNNXBMFYSA-N 1 2 335.425 2.487 20 30 EEEDLO C=CCOC[C@@H]1CN(Cc2[nH]c[nH+]c2C)Cc2nnn(CC3CC3)c21 ZINC001204594317 1322192456 /nfs/dbraw/zinc/19/24/56/1322192456.db2.gz WLCGRJIJLLIWOE-HNNXBMFYSA-N 1 2 342.447 2.022 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC=C(COC)CC1 ZINC001262948457 1322402619 /nfs/dbraw/zinc/40/26/19/1322402619.db2.gz MHYMCXQCIILXNB-MRXNPFEDSA-N 1 2 331.464 2.404 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC=C(COC)CC1 ZINC001262948457 1322402624 /nfs/dbraw/zinc/40/26/24/1322402624.db2.gz MHYMCXQCIILXNB-MRXNPFEDSA-N 1 2 331.464 2.404 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3cncn3C)C2)CCCCC1 ZINC001265319982 1323069178 /nfs/dbraw/zinc/06/91/78/1323069178.db2.gz VSRDJHKXCQXROD-MRXNPFEDSA-N 1 2 328.460 2.084 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3cncn3C)C2)CCCCC1 ZINC001265319982 1323069182 /nfs/dbraw/zinc/06/91/82/1323069182.db2.gz VSRDJHKXCQXROD-MRXNPFEDSA-N 1 2 328.460 2.084 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3nnc(C)o3)C[C@H]2C)CCC1 ZINC001207521965 1324004514 /nfs/dbraw/zinc/00/45/14/1324004514.db2.gz PFDIPZFGOUXPHY-UMVBOHGHSA-N 1 2 330.432 2.069 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3nnc(C)o3)C[C@H]2C)CCC1 ZINC001207521965 1324004521 /nfs/dbraw/zinc/00/45/21/1324004521.db2.gz PFDIPZFGOUXPHY-UMVBOHGHSA-N 1 2 330.432 2.069 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)oc3C)C[C@H]2C)CCC1 ZINC001207522173 1324005185 /nfs/dbraw/zinc/00/51/85/1324005185.db2.gz ZIFZISJZSMINTN-CZUORRHYSA-N 1 2 329.444 2.422 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)oc3C)C[C@H]2C)CCC1 ZINC001207522173 1324005191 /nfs/dbraw/zinc/00/51/91/1324005191.db2.gz ZIFZISJZSMINTN-CZUORRHYSA-N 1 2 329.444 2.422 20 30 EEEDLO C[N@H+](CCNC(=O)[C@]1(C)CCCOC1)Cc1ccc(C#N)cc1F ZINC001492475022 1331277986 /nfs/dbraw/zinc/27/79/86/1331277986.db2.gz JPGPYMSPFXYFRL-GOSISDBHSA-N 1 2 333.407 2.062 20 30 EEEDLO C[N@@H+](CCNC(=O)[C@]1(C)CCCOC1)Cc1ccc(C#N)cc1F ZINC001492475022 1331277991 /nfs/dbraw/zinc/27/79/91/1331277991.db2.gz JPGPYMSPFXYFRL-GOSISDBHSA-N 1 2 333.407 2.062 20 30 EEEDLO CCOc1ccc(OCC[NH+]2CCN(C(=O)C#CC3CC3)CC2)cc1 ZINC001313444277 1331806792 /nfs/dbraw/zinc/80/67/92/1331806792.db2.gz CLKWLXVRIUPJOP-UHFFFAOYSA-N 1 2 342.439 2.022 20 30 EEEDLO C#CC[N@H+](CC1CC1)CN1C(=O)C[C@@](C)(c2ccc(F)cc2)C1=O ZINC001325950993 1334004842 /nfs/dbraw/zinc/00/48/42/1334004842.db2.gz HAWJONZIZTYMMM-IBGZPJMESA-N 1 2 328.387 2.145 20 30 EEEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)C[C@@](C)(c2ccc(F)cc2)C1=O ZINC001325950993 1334004847 /nfs/dbraw/zinc/00/48/47/1334004847.db2.gz HAWJONZIZTYMMM-IBGZPJMESA-N 1 2 328.387 2.145 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C3CCC3)cc2)C1 ZINC001333584858 1336079504 /nfs/dbraw/zinc/07/95/04/1336079504.db2.gz RLELLPKRYPWHAG-GOSISDBHSA-N 1 2 339.439 2.106 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C3CCC3)cc2)C1 ZINC001333584858 1336079506 /nfs/dbraw/zinc/07/95/06/1336079506.db2.gz RLELLPKRYPWHAG-GOSISDBHSA-N 1 2 339.439 2.106 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC=CCC1 ZINC001339476641 1337011255 /nfs/dbraw/zinc/01/12/55/1337011255.db2.gz ZILXHSBUNKGMJQ-HZPDHXFCSA-N 1 2 329.448 2.156 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC=CCC1 ZINC001339476641 1337011257 /nfs/dbraw/zinc/01/12/57/1337011257.db2.gz ZILXHSBUNKGMJQ-HZPDHXFCSA-N 1 2 329.448 2.156 20 30 EEEDLO CC[C@H](C(=O)[C@H](C#N)C(=O)Nc1ccc(OC)cc1)[NH+](CC)CC ZINC001341917485 1337305395 /nfs/dbraw/zinc/30/53/95/1337305395.db2.gz YIPXBNWGOCVYAM-JKSUJKDBSA-N 1 2 331.416 2.463 20 30 EEEDLO CC[C@H](C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1)[NH+](CC)CC ZINC001341917485 1337305398 /nfs/dbraw/zinc/30/53/98/1337305398.db2.gz YIPXBNWGOCVYAM-JKSUJKDBSA-N 1 2 331.416 2.463 20 30 EEEDLO C=C(C)CCC(=O)N1CCCO[C@H](C[NH2+][C@H](C)c2nnc(C)o2)C1 ZINC001200628677 1338480170 /nfs/dbraw/zinc/48/01/70/1338480170.db2.gz YRXSFHDWAXCAOK-UKRRQHHQSA-N 1 2 336.436 2.002 20 30 EEEDLO CC1=C(C(=O)C=Cc2ncc(C[NH+](C)C)s2)[C@@H](C)N2NN=NC2=N1 ZINC000848641251 1338734783 /nfs/dbraw/zinc/73/47/83/1338734783.db2.gz BDQNXXCORVBJNY-BRAIEQGRSA-N 1 2 345.432 2.007 20 30 EEEDLO N#C[C@@H]1C[NH2+]CCN1Cc1noc(-c2cccc(Cl)c2Cl)n1 ZINC001580044876 1344456836 /nfs/dbraw/zinc/45/68/36/1344456836.db2.gz LLLLAAUOSHTSSX-SECBINFHSA-N 1 2 338.198 2.341 20 30 EEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H](CC(C)C)C(=O)OC ZINC001588648587 1348927285 /nfs/dbraw/zinc/92/72/85/1348927285.db2.gz MOJNIQXZHCBOIG-INIZCTEOSA-N 1 2 343.431 2.442 20 30 EEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H](CC(C)C)C(=O)OC ZINC001588648587 1348927289 /nfs/dbraw/zinc/92/72/89/1348927289.db2.gz MOJNIQXZHCBOIG-INIZCTEOSA-N 1 2 343.431 2.442 20 30 EEEDLO C[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1nc(C#N)cs1 ZINC001590046047 1349125661 /nfs/dbraw/zinc/12/56/61/1349125661.db2.gz HRIDIWSDMNSIRZ-JTQLQIEISA-N 1 2 325.401 2.388 20 30 EEEDLO C[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC001590046047 1349125666 /nfs/dbraw/zinc/12/56/66/1349125666.db2.gz HRIDIWSDMNSIRZ-JTQLQIEISA-N 1 2 325.401 2.388 20 30 EEEDLO Cn1cc[nH+]c1Cc1nnc(N2CCC[C@@H](CC#N)C2)n1CC1CC1 ZINC001650541673 1353981953 /nfs/dbraw/zinc/98/19/53/1353981953.db2.gz JDPNHFQTYMKDOF-AWEZNQCLSA-N 1 2 339.447 2.142 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC001660966064 1354566801 /nfs/dbraw/zinc/56/68/01/1354566801.db2.gz PCXSSZHTJDVVAH-PBHICJAKSA-N 1 2 347.434 2.160 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC001660966064 1354566808 /nfs/dbraw/zinc/56/68/08/1354566808.db2.gz PCXSSZHTJDVVAH-PBHICJAKSA-N 1 2 347.434 2.160 20 30 EEEDLO C#CCC1(C(=O)N2CC[C@H]([NH2+]Cc3nc(CC)no3)C2)CCCCC1 ZINC001661378326 1354632579 /nfs/dbraw/zinc/63/25/79/1354632579.db2.gz HOEAPBNDSMEDCI-HNNXBMFYSA-N 1 2 344.459 2.296 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114248229 1367747184 /nfs/dbraw/zinc/74/71/84/1367747184.db2.gz VRZYUZUYEVZACB-YRWFTTLQSA-N 1 2 340.854 2.397 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114248229 1367747193 /nfs/dbraw/zinc/74/71/93/1367747193.db2.gz VRZYUZUYEVZACB-YRWFTTLQSA-N 1 2 340.854 2.397 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cscn3)C[C@H]21 ZINC001187225628 1368235531 /nfs/dbraw/zinc/23/55/31/1368235531.db2.gz GPQKSMDFTMHYLZ-OFQRWUPVSA-N 1 2 335.473 2.157 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cscn3)C[C@H]21 ZINC001187225628 1368235540 /nfs/dbraw/zinc/23/55/40/1368235540.db2.gz GPQKSMDFTMHYLZ-OFQRWUPVSA-N 1 2 335.473 2.157 20 30 EEEDLO C[N@@H+]1[C@@H](C(=O)Nc2cnc(C#N)cn2)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001187618486 1368256633 /nfs/dbraw/zinc/25/66/33/1368256633.db2.gz GRNNPISAGMRSEW-DKSSEZFCSA-N 1 2 349.394 2.131 20 30 EEEDLO C[N@H+]1[C@@H](C(=O)Nc2cnc(C#N)cn2)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001187618486 1368256638 /nfs/dbraw/zinc/25/66/38/1368256638.db2.gz GRNNPISAGMRSEW-DKSSEZFCSA-N 1 2 349.394 2.131 20 30 EEEDLO COCC1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)CCC1 ZINC001196565078 1368591870 /nfs/dbraw/zinc/59/18/70/1368591870.db2.gz LTPISVIHJIWSQL-UHFFFAOYSA-N 1 2 347.484 2.471 20 30 EEEDLO COCC1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)CCC1 ZINC001196565078 1368591874 /nfs/dbraw/zinc/59/18/74/1368591874.db2.gz LTPISVIHJIWSQL-UHFFFAOYSA-N 1 2 347.484 2.471 20 30 EEEDLO COc1nc(N)nc(N2CCCC2)c1C=[NH+]Nc1ccnc(Cl)c1 ZINC000853393931 1369330972 /nfs/dbraw/zinc/33/09/72/1369330972.db2.gz DNBFOCQTPOMTHY-UHFFFAOYSA-N 1 2 347.810 2.162 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2c(O)cccc2Br)C1=O ZINC000862352994 1369532172 /nfs/dbraw/zinc/53/21/72/1369532172.db2.gz PXPKLTSURTXPSF-CYBMUJFWSA-N 1 2 339.233 2.373 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2c(O)cccc2Br)C1=O ZINC000862352994 1369532175 /nfs/dbraw/zinc/53/21/75/1369532175.db2.gz PXPKLTSURTXPSF-CYBMUJFWSA-N 1 2 339.233 2.373 20 30 EEEDLO CCc1cc(N2CCCCC[C@H]2CNC(=O)[C@@H](C)C#N)nc(C)[nH+]1 ZINC001114359645 1369583314 /nfs/dbraw/zinc/58/33/14/1369583314.db2.gz UGSWWGVUFUPVLB-BBRMVZONSA-N 1 2 329.448 2.372 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](CNc3cc[nH+]c(C)n3)C2)nc1 ZINC001069478280 1370140973 /nfs/dbraw/zinc/14/09/73/1370140973.db2.gz OBZGEPFJSIJGBO-CVEARBPZSA-N 1 2 335.411 2.172 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)nnn3C)CC[C@@H]1C ZINC001071613060 1370534327 /nfs/dbraw/zinc/53/43/27/1370534327.db2.gz RBPVFANUYMSCGY-JSGCOSHPSA-N 1 2 347.850 2.304 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)nnn3C)CC[C@@H]1C ZINC001071613060 1370534329 /nfs/dbraw/zinc/53/43/29/1370534329.db2.gz RBPVFANUYMSCGY-JSGCOSHPSA-N 1 2 347.850 2.304 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2cc(C3CC3)cn2)CC[C@H]1C ZINC001071624429 1370537449 /nfs/dbraw/zinc/53/74/49/1370537449.db2.gz GXAFNXLYXLGBKB-CZUORRHYSA-N 1 2 336.867 2.482 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2cc(C3CC3)cn2)CC[C@H]1C ZINC001071624429 1370537451 /nfs/dbraw/zinc/53/74/51/1370537451.db2.gz GXAFNXLYXLGBKB-CZUORRHYSA-N 1 2 336.867 2.482 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001074035364 1370927401 /nfs/dbraw/zinc/92/74/01/1370927401.db2.gz CFBUBNJYWZZZEG-HZPDHXFCSA-N 1 2 346.475 2.229 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2noc(C3CC3)n2)C1 ZINC001103979246 1371095640 /nfs/dbraw/zinc/09/56/40/1371095640.db2.gz GQNPDKAVUKFUBY-UKRRQHHQSA-N 1 2 332.448 2.487 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H](C)CNC(=O)c2cccc3[nH+]ccn32)n1 ZINC001104138618 1371139048 /nfs/dbraw/zinc/13/90/48/1371139048.db2.gz YOQAOEWKXIQJAH-ZDUSSCGKSA-N 1 2 348.410 2.387 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(CC3CC3)nn1)C2 ZINC001111648889 1371199406 /nfs/dbraw/zinc/19/94/06/1371199406.db2.gz TYWHAQJGLXONQI-LPHOPBHVSA-N 1 2 343.475 2.125 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(CC3CC3)nn1)C2 ZINC001111648889 1371199416 /nfs/dbraw/zinc/19/94/16/1371199416.db2.gz TYWHAQJGLXONQI-LPHOPBHVSA-N 1 2 343.475 2.125 20 30 EEEDLO C#CCC[C@H](O)CNc1c(C(=O)OCC)c[nH+]c2ccc(OC)cc21 ZINC000798422005 1371585724 /nfs/dbraw/zinc/58/57/24/1371585724.db2.gz YXUAIRPWVSPQHO-ZDUSSCGKSA-N 1 2 342.395 2.028 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001120158933 1371811875 /nfs/dbraw/zinc/81/18/75/1371811875.db2.gz RQRKEUQZMDCZPJ-GFCCVEGCSA-N 1 2 334.468 2.107 20 30 EEEDLO C=CCC1(O)CCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2CC)CC1 ZINC001121797547 1371924335 /nfs/dbraw/zinc/92/43/35/1371924335.db2.gz XDGOKYBQURALGD-OAHLLOKOSA-N 1 2 333.480 2.362 20 30 EEEDLO C=CCC1(O)CCN(c2nnc([C@H]3CCCC[N@H+]3C)n2CC)CC1 ZINC001121797547 1371924340 /nfs/dbraw/zinc/92/43/40/1371924340.db2.gz XDGOKYBQURALGD-OAHLLOKOSA-N 1 2 333.480 2.362 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001123867140 1372192752 /nfs/dbraw/zinc/19/27/52/1372192752.db2.gz MQBKKPGPNBRJIJ-QWHCGFSZSA-N 1 2 342.447 2.272 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2CC2CC2)CC1 ZINC000830757804 1372347214 /nfs/dbraw/zinc/34/72/14/1372347214.db2.gz VZUDYQZDNDJGCN-UHFFFAOYSA-N 1 2 341.484 2.096 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1cccc(OCC)n1 ZINC001367825784 1374276948 /nfs/dbraw/zinc/27/69/48/1374276948.db2.gz NVXUDPKQAJSKGM-ZDUSSCGKSA-N 1 2 325.840 2.212 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1cccc(OCC)n1 ZINC001367825784 1374276952 /nfs/dbraw/zinc/27/69/52/1374276952.db2.gz NVXUDPKQAJSKGM-ZDUSSCGKSA-N 1 2 325.840 2.212 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1ccsn1 ZINC001368546962 1374431444 /nfs/dbraw/zinc/43/14/44/1374431444.db2.gz VZAOJMHXTFQCII-UHFFFAOYSA-N 1 2 332.267 2.446 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1ccsn1 ZINC001368546962 1374431449 /nfs/dbraw/zinc/43/14/49/1374431449.db2.gz VZAOJMHXTFQCII-UHFFFAOYSA-N 1 2 332.267 2.446 20 30 EEEDLO COCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1ccc(Cl)cc1F ZINC001369552587 1374568525 /nfs/dbraw/zinc/56/85/25/1374568525.db2.gz WPUZLCWIPVVJOZ-GFCCVEGCSA-N 1 2 341.814 2.203 20 30 EEEDLO COCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1ccc(Cl)cc1F ZINC001369552587 1374568528 /nfs/dbraw/zinc/56/85/28/1374568528.db2.gz WPUZLCWIPVVJOZ-GFCCVEGCSA-N 1 2 341.814 2.203 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(C(F)(F)F)nn1C ZINC001374496315 1376874234 /nfs/dbraw/zinc/87/42/34/1376874234.db2.gz CLPADGLSWBFUFU-UHFFFAOYSA-N 1 2 338.761 2.195 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(C(F)(F)F)nn1C ZINC001374496315 1376874242 /nfs/dbraw/zinc/87/42/42/1376874242.db2.gz CLPADGLSWBFUFU-UHFFFAOYSA-N 1 2 338.761 2.195 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)CC2(O)CCC2)CC1 ZINC001375775186 1377992750 /nfs/dbraw/zinc/99/27/50/1377992750.db2.gz MTDYIOZEFQPAPO-UHFFFAOYSA-N 1 2 345.281 2.171 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1cc(C(F)F)n[nH]1 ZINC001379094159 1380496881 /nfs/dbraw/zinc/49/68/81/1380496881.db2.gz QNLHDUHWYAOSDL-UHFFFAOYSA-N 1 2 347.369 2.423 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1cc(C(F)F)n[nH]1 ZINC001379094159 1380496882 /nfs/dbraw/zinc/49/68/82/1380496882.db2.gz QNLHDUHWYAOSDL-UHFFFAOYSA-N 1 2 347.369 2.423 20 30 EEEDLO N#Cc1ccc(C[NH2+]C2(CNC(=O)C(F)C(F)(F)F)CC2)s1 ZINC001380088137 1381046607 /nfs/dbraw/zinc/04/66/07/1381046607.db2.gz QMYPZMFNFYAUAK-SNVBAGLBSA-N 1 2 335.326 2.259 20 30 EEEDLO N#Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H](F)C(F)(F)F)CC2)s1 ZINC001380088137 1381046613 /nfs/dbraw/zinc/04/66/13/1381046613.db2.gz QMYPZMFNFYAUAK-SNVBAGLBSA-N 1 2 335.326 2.259 20 30 EEEDLO COCC[N@H+](CCNC(=O)c1cocc1C)Cc1ccccc1C#N ZINC001380109100 1381058412 /nfs/dbraw/zinc/05/84/12/1381058412.db2.gz WWRZOQRIOYEJQA-UHFFFAOYSA-N 1 2 341.411 2.338 20 30 EEEDLO COCC[N@@H+](CCNC(=O)c1cocc1C)Cc1ccccc1C#N ZINC001380109100 1381058417 /nfs/dbraw/zinc/05/84/17/1381058417.db2.gz WWRZOQRIOYEJQA-UHFFFAOYSA-N 1 2 341.411 2.338 20 30 EEEDLO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)ns1 ZINC001390755682 1388765755 /nfs/dbraw/zinc/76/57/55/1388765755.db2.gz BBRQIXYLJREQGR-UHFFFAOYSA-N 1 2 332.404 2.324 20 30 EEEDLO Cc1cc(C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)ns1 ZINC001390755682 1388765760 /nfs/dbraw/zinc/76/57/60/1388765760.db2.gz BBRQIXYLJREQGR-UHFFFAOYSA-N 1 2 332.404 2.324 20 30 EEEDLO Cc1nnc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C(=O)C#CC(C)(C)C)C2)o1 ZINC001752708345 1406357999 /nfs/dbraw/zinc/35/79/99/1406357999.db2.gz ZXIKVBWXVGCDBI-HOTGVXAUSA-N 1 2 344.459 2.240 20 30 EEEDLO Cc1nnc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C(=O)C#CC(C)(C)C)C2)o1 ZINC001752708345 1406358011 /nfs/dbraw/zinc/35/80/11/1406358011.db2.gz ZXIKVBWXVGCDBI-HOTGVXAUSA-N 1 2 344.459 2.240 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC001752786915 1406407264 /nfs/dbraw/zinc/40/72/64/1406407264.db2.gz BWKREJYYPNEQCZ-AWEZNQCLSA-N 1 2 349.479 2.066 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2nc(N(C)C)no2)C1 ZINC001752786915 1406407267 /nfs/dbraw/zinc/40/72/67/1406407267.db2.gz BWKREJYYPNEQCZ-AWEZNQCLSA-N 1 2 349.479 2.066 20 30 EEEDLO CCN(CC)c1ccc(Cn2c(C)nnc2N(C)C[C@H](C)C#N)c[nH+]1 ZINC001396028759 1390897092 /nfs/dbraw/zinc/89/70/92/1390897092.db2.gz OMHZIEGFFJFAAN-CQSZACIVSA-N 1 2 341.463 2.472 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)CCc1ncccn1 ZINC001397028368 1391015508 /nfs/dbraw/zinc/01/55/08/1391015508.db2.gz CSJWPYDHQFEXJJ-SFHVURJKSA-N 1 2 349.438 2.014 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)CCc1ncccn1 ZINC001397028368 1391015513 /nfs/dbraw/zinc/01/55/13/1391015513.db2.gz CSJWPYDHQFEXJJ-SFHVURJKSA-N 1 2 349.438 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCOC[C@H]2CCCO2)C(C)(C)C1 ZINC001755413248 1407430375 /nfs/dbraw/zinc/43/03/75/1407430375.db2.gz VVHAQAFNCOICSC-CABCVRRESA-N 1 2 344.883 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCOC[C@H]2CCCO2)C(C)(C)C1 ZINC001755413248 1407430388 /nfs/dbraw/zinc/43/03/88/1407430388.db2.gz VVHAQAFNCOICSC-CABCVRRESA-N 1 2 344.883 2.151 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)CC[NH2+]Cc1nnc(Cc2ccccc2)o1 ZINC001753226218 1406717131 /nfs/dbraw/zinc/71/71/31/1406717131.db2.gz YJGZKLNNJVWGLY-UHFFFAOYSA-N 1 2 342.443 2.421 20 30 EEEDLO Cc1ccc(-c2cnc(C[NH+]3CC(CNC(=O)[C@H](C)C#N)C3)o2)cc1 ZINC001400471702 1396365199 /nfs/dbraw/zinc/36/51/99/1396365199.db2.gz NJOZIYWTVFNDQJ-CQSZACIVSA-N 1 2 338.411 2.358 20 30 EEEDLO C#CCN(C(=O)[C@H](C)C1CCC1)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001754638973 1406937377 /nfs/dbraw/zinc/93/73/77/1406937377.db2.gz RBQCSUSPWDFXIJ-MRXNPFEDSA-N 1 2 342.487 2.283 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(CC)nn1 ZINC001754659591 1406942864 /nfs/dbraw/zinc/94/28/64/1406942864.db2.gz WMDWASDMQPELRE-SJORKVTESA-N 1 2 331.464 2.220 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(CC)nn1 ZINC001754659591 1406942872 /nfs/dbraw/zinc/94/28/72/1406942872.db2.gz WMDWASDMQPELRE-SJORKVTESA-N 1 2 331.464 2.220 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1ccc2c(c1)OCCO2 ZINC001403191076 1398471101 /nfs/dbraw/zinc/47/11/01/1398471101.db2.gz QTLJTMDGDGUQOE-ZDUSSCGKSA-N 1 2 338.835 2.189 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1ccc2c(c1)OCCO2 ZINC001403191076 1398471107 /nfs/dbraw/zinc/47/11/07/1398471107.db2.gz QTLJTMDGDGUQOE-ZDUSSCGKSA-N 1 2 338.835 2.189 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001403332741 1399771767 /nfs/dbraw/zinc/77/17/67/1399771767.db2.gz RBKQYTQKFNIJPS-LBPRGKRZSA-N 1 2 332.835 2.294 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CC(F)(F)C(F)(F)F)O2 ZINC001755057271 1407065206 /nfs/dbraw/zinc/06/52/06/1407065206.db2.gz SKHVGMYLCYWHAU-JTQLQIEISA-N 1 2 342.308 2.110 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](OC)C1CCC1 ZINC001755075642 1407085000 /nfs/dbraw/zinc/08/50/00/1407085000.db2.gz KZQJJZBKGCLFAE-UXHICEINSA-N 1 2 340.467 2.368 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](OC)C1CCC1 ZINC001755075642 1407085006 /nfs/dbraw/zinc/08/50/06/1407085006.db2.gz KZQJJZBKGCLFAE-UXHICEINSA-N 1 2 340.467 2.368 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)[C@@H](CNC(=O)[C@@H](C)C#N)C2CC2)c(C)[nH+]1 ZINC001424922070 1401310006 /nfs/dbraw/zinc/31/00/06/1401310006.db2.gz GSFPCHLRNCQPKW-LRDDRELGSA-N 1 2 342.443 2.133 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2cccc3n[nH]cc32)CCO1 ZINC001425353172 1401545783 /nfs/dbraw/zinc/54/57/83/1401545783.db2.gz HDTOVVCZXHDSIF-LRDDRELGSA-N 1 2 348.834 2.135 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCc2nc(C)no2)[C@@H]1C ZINC001425921726 1401802701 /nfs/dbraw/zinc/80/27/01/1401802701.db2.gz DVKAENJKEVWIMQ-WCQYABFASA-N 1 2 326.828 2.032 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCc2nc(C)no2)[C@@H]1C ZINC001425921726 1401802705 /nfs/dbraw/zinc/80/27/05/1401802705.db2.gz DVKAENJKEVWIMQ-WCQYABFASA-N 1 2 326.828 2.032 20 30 EEEDLO C=CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1cnnn1C)c1ccccc1 ZINC001755326947 1407325696 /nfs/dbraw/zinc/32/56/96/1407325696.db2.gz BLBLNKIZSFKMTA-QAPCUYQASA-N 1 2 341.459 2.112 20 30 EEEDLO C=CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1cnnn1C)c1ccccc1 ZINC001755326947 1407325701 /nfs/dbraw/zinc/32/57/01/1407325701.db2.gz BLBLNKIZSFKMTA-QAPCUYQASA-N 1 2 341.459 2.112 20 30 EEEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@]2(c3ccccc3)CC2(C)C)C1 ZINC001755337462 1407336946 /nfs/dbraw/zinc/33/69/46/1407336946.db2.gz HBWFMSPCRQFJND-NRFANRHFSA-N 1 2 342.483 2.483 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCC[N@@H+]1Cc1cc(C2CC2)no1 ZINC001755717516 1407773261 /nfs/dbraw/zinc/77/32/61/1407773261.db2.gz GNEBWORXVNNRIB-DYVFJYSZSA-N 1 2 327.428 2.435 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCC[N@H+]1Cc1cc(C2CC2)no1 ZINC001755717516 1407773269 /nfs/dbraw/zinc/77/32/69/1407773269.db2.gz GNEBWORXVNNRIB-DYVFJYSZSA-N 1 2 327.428 2.435 20 30 EEEDLO N#CCN[C@@H](CCNC(=O)c1cccc2[nH+]ccn21)Cc1ccccc1 ZINC001755722227 1407782039 /nfs/dbraw/zinc/78/20/39/1407782039.db2.gz GTUDLPCTLDOZBK-KRWDZBQOSA-N 1 2 347.422 2.179 20 30 EEEDLO COCC[N@H+](CC#Cc1ccccc1Cl)CCNC(=O)[C@H]1C[C@H]1C ZINC001755838087 1407886207 /nfs/dbraw/zinc/88/62/07/1407886207.db2.gz JEFKVFUVNYRKDA-WBVHZDCISA-N 1 2 348.874 2.412 20 30 EEEDLO COCC[N@@H+](CC#Cc1ccccc1Cl)CCNC(=O)[C@H]1C[C@H]1C ZINC001755838087 1407886202 /nfs/dbraw/zinc/88/62/02/1407886202.db2.gz JEFKVFUVNYRKDA-WBVHZDCISA-N 1 2 348.874 2.412 20 30 EEEDLO C=CCC1(C(=O)N[C@H](C)[C@@H](C)NC(=O)CCn2cc[nH+]c2)CCCC1 ZINC001755979231 1408049540 /nfs/dbraw/zinc/04/95/40/1408049540.db2.gz ZRQXSCSXAZHYRK-HZPDHXFCSA-N 1 2 346.475 2.419 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001756362387 1408372492 /nfs/dbraw/zinc/37/24/92/1408372492.db2.gz VKBZLFGBYXGAIM-UHFFFAOYSA-N 1 2 346.475 2.312 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC1CC(N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001756746785 1409278876 /nfs/dbraw/zinc/27/88/76/1409278876.db2.gz UNODYWPKNXOBBF-UQPPLGOBSA-N 1 2 346.475 2.061 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)C1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001756749008 1409282200 /nfs/dbraw/zinc/28/22/00/1409282200.db2.gz YTNPWVNFZQQVBJ-JEYLPNPQSA-N 1 2 332.448 2.050 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)C1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001756749008 1409282204 /nfs/dbraw/zinc/28/22/04/1409282204.db2.gz YTNPWVNFZQQVBJ-JEYLPNPQSA-N 1 2 332.448 2.050 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC[C@H]1C ZINC001756797406 1409339968 /nfs/dbraw/zinc/33/99/68/1409339968.db2.gz LNZJCGNLJYALBE-ZBFHGGJFSA-N 1 2 345.443 2.095 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001756807134 1409353255 /nfs/dbraw/zinc/35/32/55/1409353255.db2.gz HXUBJZPXDKSNLO-SJORKVTESA-N 1 2 346.475 2.230 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001757289500 1409628557 /nfs/dbraw/zinc/62/85/57/1409628557.db2.gz UVAIAHJEWAFKIC-HZPDHXFCSA-N 1 2 346.475 2.496 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001757319648 1409665216 /nfs/dbraw/zinc/66/52/16/1409665216.db2.gz PLWVKWSSVNUGBF-YESZJQIVSA-N 1 2 344.459 2.039 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001757425736 1409708342 /nfs/dbraw/zinc/70/83/42/1409708342.db2.gz XIJQNVSNHSWRMY-JEBQAFNWSA-N 1 2 344.459 2.050 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1CC ZINC001757458990 1409723421 /nfs/dbraw/zinc/72/34/21/1409723421.db2.gz LCZNNZDHSSUMRE-DAYGRLMNSA-N 1 2 332.448 2.050 20 30 EEEDLO C=CCCC(=O)NCC[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC001124646437 1410338151 /nfs/dbraw/zinc/33/81/51/1410338151.db2.gz RZRPUNFYQACVSA-AWEZNQCLSA-N 1 2 328.416 2.393 20 30 EEEDLO C=CCCOCC(=O)NC[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001104006059 1410775096 /nfs/dbraw/zinc/77/50/96/1410775096.db2.gz SPBMLGJGNUZKEU-CYBMUJFWSA-N 1 2 332.448 2.419 20 30 EEEDLO Cc1cc(N2CC[C@H](NC(=O)C#CC3CC3)[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC001112407989 1410904902 /nfs/dbraw/zinc/90/49/02/1410904902.db2.gz WGXLDRXUFMXOAN-DYVFJYSZSA-N 1 2 338.455 2.407 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC(O)(CNc2cc[nH+]c(C)n2)CC1 ZINC001112451793 1410927421 /nfs/dbraw/zinc/92/74/21/1410927421.db2.gz NHJMSYGCVMQWGC-UONOGXRCSA-N 1 2 332.448 2.009 20 30 EEEDLO C=CCc1ccc(OCC(=O)O[C@@H](C)C[NH+]2CCOCC2)c(OC)c1 ZINC000784920031 757017492 /nfs/dbraw/zinc/01/74/92/757017492.db2.gz XRTYDAQUEXHIJN-HNNXBMFYSA-N 1 2 349.427 2.066 20 30 EEEDLO Cc1cc(C)c(C(=O)NC[C@@H](C)CNc2ccc(C#N)nn2)c(C)[nH+]1 ZINC001104273778 757819047 /nfs/dbraw/zinc/81/90/47/757819047.db2.gz AIPNRIZWEHGFPF-NSHDSACASA-N 1 2 338.415 2.147 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cccc4nc[nH]c43)C(C)(C)[C@H]21 ZINC001087311716 761589033 /nfs/dbraw/zinc/58/90/33/761589033.db2.gz SZKDVTGFJQNQQX-OLMNPRSZSA-N 1 2 336.439 2.415 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cccc4nc[nH]c43)C(C)(C)[C@H]21 ZINC001087311716 761589038 /nfs/dbraw/zinc/58/90/38/761589038.db2.gz SZKDVTGFJQNQQX-OLMNPRSZSA-N 1 2 336.439 2.415 20 30 EEEDLO C[C@H](CNc1ccc(C#N)nc1)N(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001104801470 765315877 /nfs/dbraw/zinc/31/58/77/765315877.db2.gz ILFBYYYDFSJHHW-IUODEOHRSA-N 1 2 338.415 2.055 20 30 EEEDLO C[C@H](CC(=O)N(C)[C@@H](C)CNc1ncccc1C#N)n1cc[nH+]c1 ZINC001104834434 765390471 /nfs/dbraw/zinc/39/04/71/765390471.db2.gz UXAWRMHHCMNTCL-KGLIPLIRSA-N 1 2 326.404 2.060 20 30 EEEDLO Cc1nsc(NC[C@@H](CC(C)C)NC(=O)Cc2[nH]cc[nH+]2)c1C#N ZINC001104955905 765660081 /nfs/dbraw/zinc/66/00/81/765660081.db2.gz AOCDEPZDOBKVKZ-GFCCVEGCSA-N 1 2 346.460 2.232 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc3nnn(C)c32)[C@H]1C ZINC000994556804 768922135 /nfs/dbraw/zinc/92/21/35/768922135.db2.gz FKYSIEPDLUNPQF-OCCSQVGLSA-N 1 2 347.850 2.304 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc3nnn(C)c32)[C@H]1C ZINC000994556804 768922141 /nfs/dbraw/zinc/92/21/41/768922141.db2.gz FKYSIEPDLUNPQF-OCCSQVGLSA-N 1 2 347.850 2.304 20 30 EEEDLO C[C@@H](C[C@H](C)Nc1cnc(C#N)cn1)NC(=O)c1cccc2[nH+]ccn21 ZINC001089424031 769008066 /nfs/dbraw/zinc/00/80/66/769008066.db2.gz XYRTUIOPTHTNPV-STQMWFEESA-N 1 2 349.398 2.005 20 30 EEEDLO C[C@H](C[C@@H](C)Nc1cnc(C#N)cn1)NC(=O)c1cccc2[nH+]ccn21 ZINC001089424028 769008426 /nfs/dbraw/zinc/00/84/26/769008426.db2.gz XYRTUIOPTHTNPV-CHWSQXEVSA-N 1 2 349.398 2.005 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](C)[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001105087752 769028886 /nfs/dbraw/zinc/02/88/86/769028886.db2.gz VTEYFXDGMRJIQT-DZGCQCFKSA-N 1 2 342.447 2.369 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001089441666 769235366 /nfs/dbraw/zinc/23/53/66/769235366.db2.gz NZQZJJBVLXWKBO-KBPBESRZSA-N 1 2 345.491 2.372 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001089441666 769235368 /nfs/dbraw/zinc/23/53/68/769235368.db2.gz NZQZJJBVLXWKBO-KBPBESRZSA-N 1 2 345.491 2.372 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@@H](Nc1cc(C)[nH+]c(C(C)C)n1)C(C)C ZINC001105225671 769386621 /nfs/dbraw/zinc/38/66/21/769386621.db2.gz SOUOAZZKVGFIBL-HZPDHXFCSA-N 1 2 346.475 2.499 20 30 EEEDLO Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)n1C ZINC001031547870 769529014 /nfs/dbraw/zinc/52/90/14/769529014.db2.gz OMMWWCLFHUFEBT-UHFFFAOYSA-N 1 2 340.402 2.206 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C(C)C)C1 ZINC001105284869 769570091 /nfs/dbraw/zinc/57/00/91/769570091.db2.gz VUUMCYMUDKCFOX-AWEZNQCLSA-N 1 2 346.479 2.155 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC(n2cc(C[NH2+]C/C=C\Cl)nn2)C1 ZINC001105299094 769630455 /nfs/dbraw/zinc/63/04/55/769630455.db2.gz CKSIKYZHBGJLLF-WAYWQWQTSA-N 1 2 337.855 2.106 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)o3)C[C@H]2C)CC1 ZINC000942599491 782821901 /nfs/dbraw/zinc/82/19/01/782821901.db2.gz AMHIWDQTGXANJI-CJNGLKHVSA-N 1 2 332.448 2.451 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)o3)C[C@H]2C)CC1 ZINC000942599491 782821906 /nfs/dbraw/zinc/82/19/06/782821906.db2.gz AMHIWDQTGXANJI-CJNGLKHVSA-N 1 2 332.448 2.451 20 30 EEEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)ns1 ZINC001031639065 770526738 /nfs/dbraw/zinc/52/67/38/770526738.db2.gz SFSROLMORBRYOO-UHFFFAOYSA-N 1 2 344.415 2.324 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060743473 770650502 /nfs/dbraw/zinc/65/05/02/770650502.db2.gz FMXABWBWCSGQRG-SHTZXODSSA-N 1 2 332.448 2.100 20 30 EEEDLO Cc1nc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)co1 ZINC001027843378 773403755 /nfs/dbraw/zinc/40/37/55/773403755.db2.gz WFIQHLWHIZTSDA-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nc(C(=O)NC[C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)co1 ZINC001027843378 773403761 /nfs/dbraw/zinc/40/37/61/773403761.db2.gz WFIQHLWHIZTSDA-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO CCN(c1nc(C)[nH+]c2c1CCCC2)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001089623987 773557893 /nfs/dbraw/zinc/55/78/93/773557893.db2.gz YAZMGYVPKGZYFH-QWHCGFSZSA-N 1 2 329.448 2.155 20 30 EEEDLO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001089715644 774656432 /nfs/dbraw/zinc/65/64/32/774656432.db2.gz WYUWATBDCOAWHN-GJZGRUSLSA-N 1 2 342.487 2.388 20 30 EEEDLO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001089715644 774656438 /nfs/dbraw/zinc/65/64/38/774656438.db2.gz WYUWATBDCOAWHN-GJZGRUSLSA-N 1 2 342.487 2.388 20 30 EEEDLO C[C@H]1C[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)CO1 ZINC001031787050 775639194 /nfs/dbraw/zinc/63/91/94/775639194.db2.gz AQMBFINBKVPRIC-YOEHRIQHSA-N 1 2 346.858 2.165 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCOc2c(F)cccc21 ZINC001032512479 790374666 /nfs/dbraw/zinc/37/46/66/790374666.db2.gz STOYIVXOVGBFQN-DZKIICNBSA-N 1 2 328.387 2.000 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCOc2c(F)cccc21 ZINC001032512479 790374673 /nfs/dbraw/zinc/37/46/73/790374673.db2.gz STOYIVXOVGBFQN-DZKIICNBSA-N 1 2 328.387 2.000 20 30 EEEDLO Cc1nc(C(=O)N2CCC[N@H+](Cc3cc(C#N)ccc3F)CC2)c[nH]1 ZINC000980843296 775790726 /nfs/dbraw/zinc/79/07/26/775790726.db2.gz XKXSSIYCKCHBLY-UHFFFAOYSA-N 1 2 341.390 2.077 20 30 EEEDLO Cc1nc(C(=O)N2CCC[N@@H+](Cc3cc(C#N)ccc3F)CC2)c[nH]1 ZINC000980843296 775790733 /nfs/dbraw/zinc/79/07/33/775790733.db2.gz XKXSSIYCKCHBLY-UHFFFAOYSA-N 1 2 341.390 2.077 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C2CC(F)(F)C2)cc1F ZINC001038154208 776254243 /nfs/dbraw/zinc/25/42/43/776254243.db2.gz YPCBIIVCMDBDGT-AWEZNQCLSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C2CC(F)(F)C2)cc1F ZINC001038154208 776254248 /nfs/dbraw/zinc/25/42/48/776254248.db2.gz YPCBIIVCMDBDGT-AWEZNQCLSA-N 1 2 337.345 2.433 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000939482699 776691495 /nfs/dbraw/zinc/69/14/95/776691495.db2.gz QUZPSAPGCIHGHF-AUUYWEPGSA-N 1 2 346.475 2.349 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cncc(F)c2)CC1 ZINC000981186727 776723827 /nfs/dbraw/zinc/72/38/27/776723827.db2.gz YXGFHQKHYIWYFC-MSOLQXFVSA-N 1 2 347.434 2.236 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2cncc(F)c2)CC1 ZINC000981186727 776723835 /nfs/dbraw/zinc/72/38/35/776723835.db2.gz YXGFHQKHYIWYFC-MSOLQXFVSA-N 1 2 347.434 2.236 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@@H]2CCOC[C@@H]2OCC)CC1 ZINC000981636488 777862278 /nfs/dbraw/zinc/86/22/78/777862278.db2.gz ZXJNHHNWSSBEJO-HOTGVXAUSA-N 1 2 344.883 2.105 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCOC[C@@H]2OCC)CC1 ZINC000981636488 777862285 /nfs/dbraw/zinc/86/22/85/777862285.db2.gz ZXJNHHNWSSBEJO-HOTGVXAUSA-N 1 2 344.883 2.105 20 30 EEEDLO C[C@@H]1CO[C@H](C(=O)N2CCC[N@H+](Cc3cc(C#N)ccc3F)CC2)C1 ZINC000981646439 777907832 /nfs/dbraw/zinc/90/78/32/777907832.db2.gz KKNRBOWVJQUANC-KSSFIOAISA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1CO[C@H](C(=O)N2CCC[N@@H+](Cc3cc(C#N)ccc3F)CC2)C1 ZINC000981646439 777907837 /nfs/dbraw/zinc/90/78/37/777907837.db2.gz KKNRBOWVJQUANC-KSSFIOAISA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@H]1CO[C@H](C(=O)N2CCC[N@H+](Cc3cc(C#N)ccc3F)CC2)C1 ZINC000981646438 777908468 /nfs/dbraw/zinc/90/84/68/777908468.db2.gz KKNRBOWVJQUANC-KDOFPFPSSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@H]1CO[C@H](C(=O)N2CCC[N@@H+](Cc3cc(C#N)ccc3F)CC2)C1 ZINC000981646438 777908471 /nfs/dbraw/zinc/90/84/71/777908471.db2.gz KKNRBOWVJQUANC-KDOFPFPSSA-N 1 2 345.418 2.157 20 30 EEEDLO Cc1nocc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000981862640 778410394 /nfs/dbraw/zinc/41/03/94/778410394.db2.gz UYUJOLSLJAJROW-UHFFFAOYSA-N 1 2 342.374 2.342 20 30 EEEDLO Cc1nocc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000981862640 778410396 /nfs/dbraw/zinc/41/03/96/778410396.db2.gz UYUJOLSLJAJROW-UHFFFAOYSA-N 1 2 342.374 2.342 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cccc3n[nH]cc32)C1 ZINC001031889455 778704811 /nfs/dbraw/zinc/70/48/11/778704811.db2.gz CERPIFUVPUJQOQ-UHFFFAOYSA-N 1 2 345.406 2.296 20 30 EEEDLO N#Cc1ccccc1C[NH2+]C[C@H]1CC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC000995079304 778756985 /nfs/dbraw/zinc/75/69/85/778756985.db2.gz ACFWHCHAPLUVLH-WFASDCNBSA-N 1 2 341.390 2.109 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC3(C2)CCC[N@@H+](Cc2nc(C)no2)C3)C1 ZINC000981999017 778825530 /nfs/dbraw/zinc/82/55/30/778825530.db2.gz WCCDUDASFMLHPA-UHFFFAOYSA-N 1 2 330.432 2.159 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC3(C2)CCC[N@H+](Cc2nc(C)no2)C3)C1 ZINC000981999017 778825537 /nfs/dbraw/zinc/82/55/37/778825537.db2.gz WCCDUDASFMLHPA-UHFFFAOYSA-N 1 2 330.432 2.159 20 30 EEEDLO Cc1cocc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031900755 779017224 /nfs/dbraw/zinc/01/72/24/779017224.db2.gz BXYMVDBKMSAPLZ-UHFFFAOYSA-N 1 2 327.359 2.461 20 30 EEEDLO C=CCCC1(C(=O)N(CC)CCNc2[nH+]cnc3c2cnn3C)CC1 ZINC001106932857 779207627 /nfs/dbraw/zinc/20/76/27/779207627.db2.gz QUOSNUASHXNRNE-UHFFFAOYSA-N 1 2 342.447 2.370 20 30 EEEDLO C=CCC1(C(=O)N(CC)CCNc2[nH+]cnc3c2cnn3C)CCC1 ZINC001106934141 779218873 /nfs/dbraw/zinc/21/88/73/779218873.db2.gz OJAOGKONMIONOA-UHFFFAOYSA-N 1 2 342.447 2.370 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2cncs2)CC1 ZINC000982174030 779227856 /nfs/dbraw/zinc/22/78/56/779227856.db2.gz VHVLHUNZLJWHRO-HOTGVXAUSA-N 1 2 335.473 2.159 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2cncs2)CC1 ZINC000982174030 779227858 /nfs/dbraw/zinc/22/78/58/779227858.db2.gz VHVLHUNZLJWHRO-HOTGVXAUSA-N 1 2 335.473 2.159 20 30 EEEDLO C=C1CCC(C(=O)NCC2C[NH+](CC(=O)N3CCC(C)CC3)C2)CC1 ZINC001031950319 780500509 /nfs/dbraw/zinc/50/05/09/780500509.db2.gz CGXCPXJKVSUMHF-UHFFFAOYSA-N 1 2 347.503 2.039 20 30 EEEDLO CCc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)cs1 ZINC001075771343 781420221 /nfs/dbraw/zinc/42/02/21/781420221.db2.gz XTSRLYJBOYNWKH-GOEBONIOSA-N 1 2 329.469 2.152 20 30 EEEDLO CCc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)cs1 ZINC001075771343 781420228 /nfs/dbraw/zinc/42/02/28/781420228.db2.gz XTSRLYJBOYNWKH-GOEBONIOSA-N 1 2 329.469 2.152 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC001131894675 783419385 /nfs/dbraw/zinc/41/93/85/783419385.db2.gz BFVSPEYECDTHRS-CVEARBPZSA-N 1 2 347.459 2.173 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC001131894675 783419391 /nfs/dbraw/zinc/41/93/91/783419391.db2.gz BFVSPEYECDTHRS-CVEARBPZSA-N 1 2 347.459 2.173 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2noc3c2COCC3)C1 ZINC001131897084 783454647 /nfs/dbraw/zinc/45/46/47/783454647.db2.gz YCHNFGKLGFGMMZ-KBPBESRZSA-N 1 2 333.432 2.183 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2noc3c2COCC3)C1 ZINC001131897084 783454652 /nfs/dbraw/zinc/45/46/52/783454652.db2.gz YCHNFGKLGFGMMZ-KBPBESRZSA-N 1 2 333.432 2.183 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccn(CC)n2)C1 ZINC001131938741 783495933 /nfs/dbraw/zinc/49/59/33/783495933.db2.gz JSSMXEVUBNXINB-IRXDYDNUSA-N 1 2 348.491 2.355 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccn(CC)n2)C1 ZINC001131938741 783495937 /nfs/dbraw/zinc/49/59/37/783495937.db2.gz JSSMXEVUBNXINB-IRXDYDNUSA-N 1 2 348.491 2.355 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+]([C@@H](C)c3nnc(C)o3)C2)cc1 ZINC001033319537 783529365 /nfs/dbraw/zinc/52/93/65/783529365.db2.gz UPIVHNITDRCKBW-GUYCJALGSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+]([C@@H](C)c3nnc(C)o3)C2)cc1 ZINC001033319537 783529373 /nfs/dbraw/zinc/52/93/73/783529373.db2.gz UPIVHNITDRCKBW-GUYCJALGSA-N 1 2 338.411 2.267 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C(F)F)ccc2F)C1 ZINC001035367259 784381867 /nfs/dbraw/zinc/38/18/67/784381867.db2.gz FFNRUCVTTHIJOZ-LBPRGKRZSA-N 1 2 328.334 2.380 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C(F)F)ccc2F)C1 ZINC001035367259 784381873 /nfs/dbraw/zinc/38/18/73/784381873.db2.gz FFNRUCVTTHIJOZ-LBPRGKRZSA-N 1 2 328.334 2.380 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2csc(C(F)(F)F)c2)C1 ZINC001035432574 784517638 /nfs/dbraw/zinc/51/76/38/784517638.db2.gz KINHPLGKYIWOLL-LBPRGKRZSA-N 1 2 346.374 2.221 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2csc(C(F)(F)F)c2)C1 ZINC001035432574 784517644 /nfs/dbraw/zinc/51/76/44/784517644.db2.gz KINHPLGKYIWOLL-LBPRGKRZSA-N 1 2 346.374 2.221 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC001035518786 784657639 /nfs/dbraw/zinc/65/76/39/784657639.db2.gz IHDIGMVHDUVRGG-CYBMUJFWSA-N 1 2 346.456 2.145 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC001035518786 784657646 /nfs/dbraw/zinc/65/76/46/784657646.db2.gz IHDIGMVHDUVRGG-CYBMUJFWSA-N 1 2 346.456 2.145 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccnc(C(F)(F)F)c2)C1 ZINC001035566380 784695411 /nfs/dbraw/zinc/69/54/11/784695411.db2.gz DBTYWLYVGBDVFL-ZDUSSCGKSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccnc(C(F)(F)F)c2)C1 ZINC001035566380 784695415 /nfs/dbraw/zinc/69/54/15/784695415.db2.gz DBTYWLYVGBDVFL-ZDUSSCGKSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc3cnccc3c2)C1 ZINC001035576974 784771768 /nfs/dbraw/zinc/77/17/68/784771768.db2.gz IEWHBJZYCFBLIH-GOSISDBHSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc3cnccc3c2)C1 ZINC001035576974 784771779 /nfs/dbraw/zinc/77/17/79/784771779.db2.gz IEWHBJZYCFBLIH-GOSISDBHSA-N 1 2 325.412 2.242 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC001035585053 784789847 /nfs/dbraw/zinc/78/98/47/784789847.db2.gz CAJIDEODCIAQNU-ZDUSSCGKSA-N 1 2 341.238 2.447 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC001035585053 784789864 /nfs/dbraw/zinc/78/98/64/784789864.db2.gz CAJIDEODCIAQNU-ZDUSSCGKSA-N 1 2 341.238 2.447 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)c(F)c(F)c2F)C1 ZINC001035589236 784798467 /nfs/dbraw/zinc/79/84/67/784798467.db2.gz NOVPQHXSZHVWMD-JTQLQIEISA-N 1 2 346.324 2.250 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(F)c(F)c(F)c2F)C1 ZINC001035589236 784798473 /nfs/dbraw/zinc/79/84/73/784798473.db2.gz NOVPQHXSZHVWMD-JTQLQIEISA-N 1 2 346.324 2.250 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc3c2OCC3(C)C)C1 ZINC001035631066 784828511 /nfs/dbraw/zinc/82/85/11/784828511.db2.gz RTDSOXAKMHWFAW-OAHLLOKOSA-N 1 2 344.455 2.363 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccc3c2OCC3(C)C)C1 ZINC001035631066 784828521 /nfs/dbraw/zinc/82/85/21/784828521.db2.gz RTDSOXAKMHWFAW-OAHLLOKOSA-N 1 2 344.455 2.363 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C3CCCC3)no2)C1 ZINC001035611765 784849765 /nfs/dbraw/zinc/84/97/65/784849765.db2.gz YPRHKDGAPQKVCX-OAHLLOKOSA-N 1 2 333.432 2.339 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(C3CCCC3)no2)C1 ZINC001035611765 784849767 /nfs/dbraw/zinc/84/97/67/784849767.db2.gz YPRHKDGAPQKVCX-OAHLLOKOSA-N 1 2 333.432 2.339 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCCc3ccccc32)C1 ZINC001035611820 784850522 /nfs/dbraw/zinc/85/05/22/784850522.db2.gz MDDZSKIHXRDCIK-IEBWSBKVSA-N 1 2 328.456 2.500 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCCc3ccccc32)C1 ZINC001035611820 784850526 /nfs/dbraw/zinc/85/05/26/784850526.db2.gz MDDZSKIHXRDCIK-IEBWSBKVSA-N 1 2 328.456 2.500 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc3ccccc3n2CC)C1 ZINC001035613148 784851674 /nfs/dbraw/zinc/85/16/74/784851674.db2.gz DULJFSOXRYYHNO-MRXNPFEDSA-N 1 2 327.428 2.278 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc3ccccc3n2CC)C1 ZINC001035613148 784851678 /nfs/dbraw/zinc/85/16/78/784851678.db2.gz DULJFSOXRYYHNO-MRXNPFEDSA-N 1 2 327.428 2.278 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](OCC)C(C)C)CC2)C1 ZINC001105708396 786093575 /nfs/dbraw/zinc/09/35/75/786093575.db2.gz FBNFPVYCBLANAK-SFHVURJKSA-N 1 2 338.492 2.315 20 30 EEEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CC3(C)CCCCC3)nn2)C1 ZINC001107185689 786260656 /nfs/dbraw/zinc/26/06/56/786260656.db2.gz ZBFHZZXWVTVGRL-UHFFFAOYSA-N 1 2 343.475 2.135 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(C)CCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001109581874 805711615 /nfs/dbraw/zinc/71/16/15/805711615.db2.gz UMNOMXWGVMJVEL-CYBMUJFWSA-N 1 2 334.468 2.109 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2CC[NH+](Cc3ncccn3)CC2)cc1 ZINC001005805546 786693485 /nfs/dbraw/zinc/69/34/85/786693485.db2.gz MAMOVSFDVADWQP-UHFFFAOYSA-N 1 2 334.423 2.195 20 30 EEEDLO CC(C)Oc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N ZINC001032318981 787227917 /nfs/dbraw/zinc/22/79/17/787227917.db2.gz FFWRLVPVSNHAGE-PVAVHDDUSA-N 1 2 327.428 2.419 20 30 EEEDLO CC(C)Oc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N ZINC001032318981 787227925 /nfs/dbraw/zinc/22/79/25/787227925.db2.gz FFWRLVPVSNHAGE-PVAVHDDUSA-N 1 2 327.428 2.419 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001062060128 787295192 /nfs/dbraw/zinc/29/51/92/787295192.db2.gz MRDHSCGQSNMDFS-JKSUJKDBSA-N 1 2 332.448 2.298 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H](C)SC)CC2(CCOCC2)C1 ZINC001099566306 787473322 /nfs/dbraw/zinc/47/33/22/787473322.db2.gz OCYNJCQUAFVOKC-ZIAGYGMSSA-N 1 2 346.924 2.478 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H](C)SC)CC2(CCOCC2)C1 ZINC001099566306 787473325 /nfs/dbraw/zinc/47/33/25/787473325.db2.gz OCYNJCQUAFVOKC-ZIAGYGMSSA-N 1 2 346.924 2.478 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H](CN(C)c3cc[nH+]c(C)n3)C2)cc1 ZINC001062158038 787501193 /nfs/dbraw/zinc/50/11/93/787501193.db2.gz BVBBSKKRQVYJSH-QGZVFWFLSA-N 1 2 334.423 2.365 20 30 EEEDLO Cc1nc(C)c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)o1 ZINC001032331422 787705020 /nfs/dbraw/zinc/70/50/20/787705020.db2.gz COKBTQWSHUXVPD-IRXDYDNUSA-N 1 2 336.395 2.262 20 30 EEEDLO Cc1nc(C)c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)o1 ZINC001032331422 787705025 /nfs/dbraw/zinc/70/50/25/787705025.db2.gz COKBTQWSHUXVPD-IRXDYDNUSA-N 1 2 336.395 2.262 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001062316393 787880174 /nfs/dbraw/zinc/88/01/74/787880174.db2.gz WGDKGRBWTGTISB-LSDHHAIUSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001062325290 787893827 /nfs/dbraw/zinc/89/38/27/787893827.db2.gz HPLDYIMHPSSFOT-LSDHHAIUSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2csc(-c3ccco3)n2)C1 ZINC001108165612 788294640 /nfs/dbraw/zinc/29/46/40/788294640.db2.gz KWPSIBKTPKTPES-KRWDZBQOSA-N 1 2 347.440 2.410 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2csc(-c3ccco3)n2)C1 ZINC001108165612 788294646 /nfs/dbraw/zinc/29/46/46/788294646.db2.gz KWPSIBKTPKTPES-KRWDZBQOSA-N 1 2 347.440 2.410 20 30 EEEDLO C=CCC1(C(=O)NCC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CCC1 ZINC001060233534 788368946 /nfs/dbraw/zinc/36/89/46/788368946.db2.gz XCTCFONPMWFMRD-OAHLLOKOSA-N 1 2 344.459 2.053 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c(F)ccc(F)c2F)C1 ZINC001108166359 788411134 /nfs/dbraw/zinc/41/11/34/788411134.db2.gz AHBRKDSTMUQXLA-INIZCTEOSA-N 1 2 328.334 2.111 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c(F)ccc(F)c2F)C1 ZINC001108166359 788411138 /nfs/dbraw/zinc/41/11/38/788411138.db2.gz AHBRKDSTMUQXLA-INIZCTEOSA-N 1 2 328.334 2.111 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060783484 788455061 /nfs/dbraw/zinc/45/50/61/788455061.db2.gz IBWYGLGJHYKDOR-QKPAOTATSA-N 1 2 346.475 2.202 20 30 EEEDLO Cc1ccc(F)cc1C[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)C#N)C1 ZINC001107819187 788565424 /nfs/dbraw/zinc/56/54/24/788565424.db2.gz MHHSPVMWPAWXQF-RDTXWAMCSA-N 1 2 333.407 2.001 20 30 EEEDLO Cc1ccc(F)cc1C[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)C#N)C1 ZINC001107819187 788565429 /nfs/dbraw/zinc/56/54/29/788565429.db2.gz MHHSPVMWPAWXQF-RDTXWAMCSA-N 1 2 333.407 2.001 20 30 EEEDLO C[C@@H](CC(=O)N(C)C1CC(Nc2ncccc2C#N)C1)n1cc[nH+]c1 ZINC001127080604 788777012 /nfs/dbraw/zinc/77/70/12/788777012.db2.gz SXPCFQRFQJBYOR-JEYLPNPQSA-N 1 2 338.415 2.202 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)cn1 ZINC001060247200 788842082 /nfs/dbraw/zinc/84/20/82/788842082.db2.gz ZWVZGPAQXDIQJN-MRXNPFEDSA-N 1 2 338.415 2.102 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001060804398 789164877 /nfs/dbraw/zinc/16/48/77/789164877.db2.gz VTUAQIFFVFBHRS-WKILWMFISA-N 1 2 346.475 2.408 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1CNc1ccc(C#N)cn1 ZINC001060264513 789220579 /nfs/dbraw/zinc/22/05/79/789220579.db2.gz UDOHEAWVTOZGOE-HNNXBMFYSA-N 1 2 338.415 2.021 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCC)C(C)C)C2 ZINC001109778921 805969351 /nfs/dbraw/zinc/96/93/51/805969351.db2.gz ZDTDYLUGVLYHOD-QZWWFDLISA-N 1 2 335.492 2.082 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCC)C(C)C)C2 ZINC001109778921 805969357 /nfs/dbraw/zinc/96/93/57/805969357.db2.gz ZDTDYLUGVLYHOD-QZWWFDLISA-N 1 2 335.492 2.082 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C[C@H](C)C(=O)c2cccc(F)c2)C1 ZINC000923575428 789801810 /nfs/dbraw/zinc/80/18/10/789801810.db2.gz YSTPMZSUSGGXBR-YOEHRIQHSA-N 1 2 330.403 2.248 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)C(=O)c2cccc(F)c2)C1 ZINC000923575428 789801817 /nfs/dbraw/zinc/80/18/17/789801817.db2.gz YSTPMZSUSGGXBR-YOEHRIQHSA-N 1 2 330.403 2.248 20 30 EEEDLO C=C[C@@H](CC(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001105863945 789877772 /nfs/dbraw/zinc/87/77/72/789877772.db2.gz WFKLUSHWPXIRRD-RDJZCZTQSA-N 1 2 340.427 2.034 20 30 EEEDLO C=C(C)CONC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000845590598 789884176 /nfs/dbraw/zinc/88/41/76/789884176.db2.gz UWUAVKVYTOORJI-UHFFFAOYSA-N 1 2 333.432 2.339 20 30 EEEDLO C=C[C@@H](C)ONC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000845636734 789897442 /nfs/dbraw/zinc/89/74/42/789897442.db2.gz RPOJGZQUHLPPIM-DLBZAZTESA-N 1 2 347.459 2.425 20 30 EEEDLO N#Cc1ccc(NC[C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)cn1 ZINC001060317871 790023449 /nfs/dbraw/zinc/02/34/49/790023449.db2.gz QJOWKLYCBQOWBN-KRWDZBQOSA-N 1 2 338.415 2.102 20 30 EEEDLO N#Cc1ccc(NC[C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)cn1 ZINC001060317871 790023453 /nfs/dbraw/zinc/02/34/53/790023453.db2.gz QJOWKLYCBQOWBN-KRWDZBQOSA-N 1 2 338.415 2.102 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H](CCNC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001060328601 790117643 /nfs/dbraw/zinc/11/76/43/790117643.db2.gz GPSVTOHRUOQRSK-HNNXBMFYSA-N 1 2 344.459 2.053 20 30 EEEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nc(CCCC)no1)C2 ZINC001147165430 791722367 /nfs/dbraw/zinc/72/23/67/791722367.db2.gz GLJUVJGYWQMZJG-UHFFFAOYSA-N 1 2 332.448 2.413 20 30 EEEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1nc(CCCC)no1)C2 ZINC001147165430 791722370 /nfs/dbraw/zinc/72/23/70/791722370.db2.gz GLJUVJGYWQMZJG-UHFFFAOYSA-N 1 2 332.448 2.413 20 30 EEEDLO N#Cc1ccc(N[C@@H]2CC[C@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)cn1 ZINC001091647400 791918830 /nfs/dbraw/zinc/91/88/30/791918830.db2.gz WGBJNTJXVIMQFC-UONOGXRCSA-N 1 2 338.415 2.006 20 30 EEEDLO N#Cc1ccc(N[C@@H]2CC[C@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)cn1 ZINC001091647400 791918834 /nfs/dbraw/zinc/91/88/34/791918834.db2.gz WGBJNTJXVIMQFC-UONOGXRCSA-N 1 2 338.415 2.006 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nn(CC)nc1C)C2 ZINC001148095061 792144469 /nfs/dbraw/zinc/14/44/69/792144469.db2.gz DBKPCZWOWUJGCB-LSDHHAIUSA-N 1 2 345.491 2.099 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nn(CC)nc1C)C2 ZINC001148095061 792144479 /nfs/dbraw/zinc/14/44/79/792144479.db2.gz DBKPCZWOWUJGCB-LSDHHAIUSA-N 1 2 345.491 2.099 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nncn1C)C2 ZINC001148146264 792187016 /nfs/dbraw/zinc/18/70/16/792187016.db2.gz CGYJSLGKKSMNQS-CABCVRRESA-N 1 2 331.464 2.013 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nncn1C)C2 ZINC001148146264 792187020 /nfs/dbraw/zinc/18/70/20/792187020.db2.gz CGYJSLGKKSMNQS-CABCVRRESA-N 1 2 331.464 2.013 20 30 EEEDLO C=CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ncnn1C(C)(C)C)C2 ZINC001148194049 792209752 /nfs/dbraw/zinc/20/97/52/792209752.db2.gz PZANKGMCROGMMJ-UHFFFAOYSA-N 1 2 345.491 2.424 20 30 EEEDLO C=CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ncnn1C(C)(C)C)C2 ZINC001148194049 792209762 /nfs/dbraw/zinc/20/97/62/792209762.db2.gz PZANKGMCROGMMJ-UHFFFAOYSA-N 1 2 345.491 2.424 20 30 EEEDLO CC#CCCCC(=O)NCC1(NC(=O)C[C@H](C)n2cc[nH+]c2)CCC1 ZINC001064071531 792279097 /nfs/dbraw/zinc/27/90/97/792279097.db2.gz ATEZYWJLMQAULZ-INIZCTEOSA-N 1 2 344.459 2.183 20 30 EEEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2nc(C)no2)C3)CC1 ZINC001148263207 792291890 /nfs/dbraw/zinc/29/18/90/792291890.db2.gz WTALIRBPABCESS-UHFFFAOYSA-N 1 2 330.432 2.159 20 30 EEEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2nc(C)no2)C3)CC1 ZINC001148263207 792291901 /nfs/dbraw/zinc/29/19/01/792291901.db2.gz WTALIRBPABCESS-UHFFFAOYSA-N 1 2 330.432 2.159 20 30 EEEDLO CCCCCCCCC(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001148727622 792658862 /nfs/dbraw/zinc/65/88/62/792658862.db2.gz DWBVMVZFIGUNEH-UHFFFAOYSA-N 1 2 326.441 2.172 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@H+](Cc2nccn2C)CC3)cc1 ZINC000992100227 792700150 /nfs/dbraw/zinc/70/01/50/792700150.db2.gz QBXLVFPDYLUXCS-NQIIRXRSSA-N 1 2 348.450 2.328 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@@H+](Cc2nccn2C)CC3)cc1 ZINC000992100227 792700156 /nfs/dbraw/zinc/70/01/56/792700156.db2.gz QBXLVFPDYLUXCS-NQIIRXRSSA-N 1 2 348.450 2.328 20 30 EEEDLO Cc1cc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)no1 ZINC001089151018 792806086 /nfs/dbraw/zinc/80/60/86/792806086.db2.gz QSXQGUGNKQZVGM-INIZCTEOSA-N 1 2 341.415 2.310 20 30 EEEDLO Cc1cc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)no1 ZINC001089151018 792806095 /nfs/dbraw/zinc/80/60/95/792806095.db2.gz QSXQGUGNKQZVGM-INIZCTEOSA-N 1 2 341.415 2.310 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCN(c3ccccc3)C2)C1 ZINC001014889511 792944621 /nfs/dbraw/zinc/94/46/21/792944621.db2.gz BUBNCXUSTWMFBI-JKSUJKDBSA-N 1 2 333.863 2.456 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCN(c3ccccc3)C2)C1 ZINC001014889511 792944623 /nfs/dbraw/zinc/94/46/23/792944623.db2.gz BUBNCXUSTWMFBI-JKSUJKDBSA-N 1 2 333.863 2.456 20 30 EEEDLO Cc1nc(N2CC[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@@H]3C2)cc[nH+]1 ZINC001091852106 793324986 /nfs/dbraw/zinc/32/49/86/793324986.db2.gz KCRNAILVKAPREE-CVEARBPZSA-N 1 2 326.444 2.119 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]21 ZINC001090309406 793705666 /nfs/dbraw/zinc/70/56/66/793705666.db2.gz IMLKKNMJTGPGNX-DLBZAZTESA-N 1 2 326.444 2.242 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(Cl)o1)c1nccn12 ZINC001092344288 793813005 /nfs/dbraw/zinc/81/30/05/793813005.db2.gz NSXXGNNEGNCFPF-GFCCVEGCSA-N 1 2 344.802 2.039 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccc(C)cc1)c1nccn12 ZINC001092379800 793873109 /nfs/dbraw/zinc/87/31/09/793873109.db2.gz JQYKSGOQEUTHJQ-KRWDZBQOSA-N 1 2 336.439 2.192 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C1Cc3ccccc3C1)c1nccn12 ZINC001092396582 793896007 /nfs/dbraw/zinc/89/60/07/793896007.db2.gz IFXLFEMMTBVPMM-SFHVURJKSA-N 1 2 348.450 2.056 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3cc[nH]c3c1)c1nccn12 ZINC001092400364 793901507 /nfs/dbraw/zinc/90/15/07/793901507.db2.gz MQOIBOXLSXFPRD-KRWDZBQOSA-N 1 2 347.422 2.436 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@]1(C)CC=CCC1)c1nccn12 ZINC001092369551 793913118 /nfs/dbraw/zinc/91/31/18/793913118.db2.gz DSQQNPHAUZYGLR-MAUKXSAKSA-N 1 2 326.444 2.387 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC(F)(F)C1)c1nccn12 ZINC001092375564 793918628 /nfs/dbraw/zinc/91/86/28/793918628.db2.gz URROZBGIWPECNE-CHWSQXEVSA-N 1 2 336.386 2.076 20 30 EEEDLO Cc1nc(NC[C@@H]2CCCN2C(=O)C#CC2CC2)c2c([nH+]1)CCCC2 ZINC001064905560 793940699 /nfs/dbraw/zinc/94/06/99/793940699.db2.gz VTEVBXQXRGDHSX-INIZCTEOSA-N 1 2 338.455 2.480 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C)cc1)c1nccn12 ZINC001092411289 793961884 /nfs/dbraw/zinc/96/18/84/793961884.db2.gz ZBTAEICOHGMAEG-KRWDZBQOSA-N 1 2 334.423 2.101 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@H](CNc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001109971404 806300667 /nfs/dbraw/zinc/30/06/67/806300667.db2.gz VNRIAVXYYTVMBX-RDTXWAMCSA-N 1 2 346.479 2.155 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCN2c2ccccc2)C1 ZINC001107988397 794232420 /nfs/dbraw/zinc/23/24/20/794232420.db2.gz CGSHRAIBYBAVFN-QUCCMNQESA-N 1 2 343.471 2.049 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCN2c2ccccc2)C1 ZINC001107988397 794232426 /nfs/dbraw/zinc/23/24/26/794232426.db2.gz CGSHRAIBYBAVFN-QUCCMNQESA-N 1 2 343.471 2.049 20 30 EEEDLO CC1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]2O)CCC1 ZINC001083703293 794411534 /nfs/dbraw/zinc/41/15/34/794411534.db2.gz JWOSXQLDOJVKPV-SJORKVTESA-N 1 2 346.858 2.043 20 30 EEEDLO CC1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]2O)CCC1 ZINC001083703293 794411541 /nfs/dbraw/zinc/41/15/41/794411541.db2.gz JWOSXQLDOJVKPV-SJORKVTESA-N 1 2 346.858 2.043 20 30 EEEDLO CCc1ccsc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#CCOC ZINC001110139549 794533727 /nfs/dbraw/zinc/53/37/27/794533727.db2.gz XQHAJFJJSOHBPS-PMPSAXMXSA-N 1 2 332.469 2.295 20 30 EEEDLO CCc1ccsc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#CCOC ZINC001110139549 794533732 /nfs/dbraw/zinc/53/37/32/794533732.db2.gz XQHAJFJJSOHBPS-PMPSAXMXSA-N 1 2 332.469 2.295 20 30 EEEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)c1ccon1 ZINC001079459469 794760494 /nfs/dbraw/zinc/76/04/94/794760494.db2.gz VKOLFKPVUHUGEI-CXAGYDPISA-N 1 2 343.814 2.430 20 30 EEEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)c1ccon1 ZINC001079459469 794760496 /nfs/dbraw/zinc/76/04/96/794760496.db2.gz VKOLFKPVUHUGEI-CXAGYDPISA-N 1 2 343.814 2.430 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]21 ZINC001093242290 794859763 /nfs/dbraw/zinc/85/97/63/794859763.db2.gz RVOUAJBJKGLBBY-VQFNDLOPSA-N 1 2 326.444 2.146 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001110005531 806365410 /nfs/dbraw/zinc/36/54/10/806365410.db2.gz VGAUFPSNSQBKEU-ZOBUZTSGSA-N 1 2 330.432 2.073 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]21 ZINC001093281508 794951154 /nfs/dbraw/zinc/95/11/54/794951154.db2.gz JQPZTTKBFGNGOF-HWWDLCQESA-N 1 2 344.459 2.052 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccnc(Cl)c2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588598 794973998 /nfs/dbraw/zinc/97/39/98/794973998.db2.gz JVEIKZHYJJDDDY-IAQYHMDHSA-N 1 2 343.818 2.185 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588598 794974005 /nfs/dbraw/zinc/97/40/05/794974005.db2.gz JVEIKZHYJJDDDY-IAQYHMDHSA-N 1 2 343.818 2.185 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC000999901880 795081821 /nfs/dbraw/zinc/08/18/21/795081821.db2.gz XCWLUTQKEMORDP-SNVBAGLBSA-N 1 2 328.363 2.300 20 30 EEEDLO Cc1nc(N[C@H](C)C[C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)ccc1C#N ZINC001089307424 795157836 /nfs/dbraw/zinc/15/78/36/795157836.db2.gz YAWDVSQQJKVTRC-CHWSQXEVSA-N 1 2 340.431 2.313 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1(F)CCOCC1 ZINC001079822505 795249690 /nfs/dbraw/zinc/24/96/90/795249690.db2.gz KCZHJPLPUQMZDS-RHSMWYFYSA-N 1 2 345.418 2.013 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1(F)CCOCC1 ZINC001079822505 795249695 /nfs/dbraw/zinc/24/96/95/795249695.db2.gz KCZHJPLPUQMZDS-RHSMWYFYSA-N 1 2 345.418 2.013 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001079830238 795258698 /nfs/dbraw/zinc/25/86/98/795258698.db2.gz XJZOYGMTLTYCPK-BDJLRTHQSA-N 1 2 347.850 2.218 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001079830238 795258703 /nfs/dbraw/zinc/25/87/03/795258703.db2.gz XJZOYGMTLTYCPK-BDJLRTHQSA-N 1 2 347.850 2.218 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nnc(C)o2)C[C@H]1C ZINC001079855939 795285175 /nfs/dbraw/zinc/28/51/75/795285175.db2.gz ZIUWEOFPNAKXMT-VNHYZAJKSA-N 1 2 343.431 2.177 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nnc(C)o2)C[C@H]1C ZINC001079855939 795285183 /nfs/dbraw/zinc/28/51/83/795285183.db2.gz ZIUWEOFPNAKXMT-VNHYZAJKSA-N 1 2 343.431 2.177 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cncc(CC)c3)CC2)C1 ZINC001093552282 795372114 /nfs/dbraw/zinc/37/21/14/795372114.db2.gz LYAJVORIBCIKMK-UHFFFAOYSA-N 1 2 329.444 2.135 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3ccn(C)c3CC)CC2)C1 ZINC001093575207 795386356 /nfs/dbraw/zinc/38/63/56/795386356.db2.gz UEOQUAPOAZYTOQ-UHFFFAOYSA-N 1 2 345.487 2.469 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(Cl)no2)cc1 ZINC001032745056 795391811 /nfs/dbraw/zinc/39/18/11/795391811.db2.gz ZDRDXPBJXVBHOI-KBPBESRZSA-N 1 2 342.786 2.299 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(Cl)no2)cc1 ZINC001032745056 795391818 /nfs/dbraw/zinc/39/18/18/795391818.db2.gz ZDRDXPBJXVBHOI-KBPBESRZSA-N 1 2 342.786 2.299 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3(CC)CCOCC3)CC2)C1 ZINC001093584680 795397544 /nfs/dbraw/zinc/39/75/44/795397544.db2.gz BFAZECQWMJOWKC-UHFFFAOYSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C(F)(F)F)ncn2)C1 ZINC001080118618 795581259 /nfs/dbraw/zinc/58/12/59/795581259.db2.gz CBHVSVMSQDNQAL-LDYMZIIASA-N 1 2 348.756 2.298 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C(F)(F)F)ncn2)C1 ZINC001080118618 795581261 /nfs/dbraw/zinc/58/12/61/795581261.db2.gz CBHVSVMSQDNQAL-LDYMZIIASA-N 1 2 348.756 2.298 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106441867 795595197 /nfs/dbraw/zinc/59/51/97/795595197.db2.gz GOSRVMNVAVAOBI-JSGCOSHPSA-N 1 2 330.432 2.007 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(CC)C1CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001080212146 795718487 /nfs/dbraw/zinc/71/84/87/795718487.db2.gz VHDZQYKOZMABEE-UHFFFAOYSA-N 1 2 346.475 2.325 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)c1ccccc1 ZINC001078019120 795738667 /nfs/dbraw/zinc/73/86/67/795738667.db2.gz DQROMASWUFMMEH-IOMROCGXSA-N 1 2 348.446 2.003 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)c1ccccc1 ZINC001078019120 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2.079 20 30 EEEDLO C#CCNC(=O)C1CC[NH+](Cc2nnc(-c3ccccc3)s2)CC1 ZINC000491665083 246102071 /nfs/dbraw/zinc/10/20/71/246102071.db2.gz PBIQNEPSLIKRCF-UHFFFAOYSA-N 1 2 340.452 2.167 20 30 EEEDLO C=CCOc1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1OC ZINC000264295140 246309318 /nfs/dbraw/zinc/30/93/18/246309318.db2.gz QTWVEGAKJHPJAR-LSDHHAIUSA-N 1 2 348.443 2.099 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C/C=C/c1ccccc1F ZINC000495088394 247065143 /nfs/dbraw/zinc/06/51/43/247065143.db2.gz DKGSIAZXSRQVPM-ZZXKWVIFSA-N 1 2 345.418 2.303 20 30 EEEDLO N#Cc1cnc(C[N@H+]2CCC[C@H]2COC(=O)NC2CCCCC2)nc1 ZINC000496037753 247282250 /nfs/dbraw/zinc/28/22/50/247282250.db2.gz AKTGFGWKCHMALB-INIZCTEOSA-N 1 2 343.431 2.372 20 30 EEEDLO N#Cc1cnc(C[N@@H+]2CCC[C@H]2COC(=O)NC2CCCCC2)nc1 ZINC000496037753 247282253 /nfs/dbraw/zinc/28/22/53/247282253.db2.gz AKTGFGWKCHMALB-INIZCTEOSA-N 1 2 343.431 2.372 20 30 EEEDLO C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000010165268 211151327 /nfs/dbraw/zinc/15/13/27/211151327.db2.gz OCVHKGVPFMLOAE-UHFFFAOYSA-N 1 2 331.397 2.107 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2C2CC2)CC1 ZINC000491780196 533159890 /nfs/dbraw/zinc/15/98/90/533159890.db2.gz LKENPJRQSPYVPY-UHFFFAOYSA-N 1 2 335.455 2.267 20 30 EEEDLO C#C[C@@H]1COCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000491375949 533276877 /nfs/dbraw/zinc/27/68/77/533276877.db2.gz YDERTBUJNNJPRT-CQSZACIVSA-N 1 2 327.340 2.126 20 30 EEEDLO C#C[C@@H]1COCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000491375949 533276881 /nfs/dbraw/zinc/27/68/81/533276881.db2.gz YDERTBUJNNJPRT-CQSZACIVSA-N 1 2 327.340 2.126 20 30 EEEDLO C#C[C@H](CC)NC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000491569406 533302926 /nfs/dbraw/zinc/30/29/26/533302926.db2.gz VWUVAVRKJMPPES-QZTJIDSGSA-N 1 2 329.444 2.079 20 30 EEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CNc2ccc(C#N)cc2)C1 ZINC000120409971 159391629 /nfs/dbraw/zinc/39/16/29/159391629.db2.gz QCBFTWJRCOQCRO-INIZCTEOSA-N 1 2 337.427 2.185 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)COc3ccccc3)CCO2)c1 ZINC000341815353 161015836 /nfs/dbraw/zinc/01/58/36/161015836.db2.gz WZSNIJUZPZHQBK-ICSRJNTNSA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3)CCO2)c1 ZINC000341815353 161015837 /nfs/dbraw/zinc/01/58/37/161015837.db2.gz WZSNIJUZPZHQBK-ICSRJNTNSA-N 1 2 338.407 2.371 20 30 EEEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000342873259 161097261 /nfs/dbraw/zinc/09/72/61/161097261.db2.gz UAHKQEQPAWOPSZ-SFHVURJKSA-N 1 2 336.395 2.313 20 30 EEEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)[C@@H]1C ZINC000346693563 161392390 /nfs/dbraw/zinc/39/23/90/161392390.db2.gz NWUDJONKICVORR-PWSUYJOCSA-N 1 2 335.429 2.059 20 30 EEEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)[C@@H]1C ZINC000346693563 161392391 /nfs/dbraw/zinc/39/23/91/161392391.db2.gz NWUDJONKICVORR-PWSUYJOCSA-N 1 2 335.429 2.059 20 30 EEEDLO COC(=O)[C@H]([C@H](C)O)[N@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000351958836 162001421 /nfs/dbraw/zinc/00/14/21/162001421.db2.gz OYEFRQNKUHRTIW-KXBFYZLASA-N 1 2 338.407 2.483 20 30 EEEDLO COC(=O)[C@H]([C@H](C)O)[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000351958836 162001423 /nfs/dbraw/zinc/00/14/23/162001423.db2.gz OYEFRQNKUHRTIW-KXBFYZLASA-N 1 2 338.407 2.483 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]2c2ccccc2)nc1 ZINC000367994834 166033018 /nfs/dbraw/zinc/03/30/18/166033018.db2.gz VNJMIRWLAIFZTP-MRXNPFEDSA-N 1 2 327.409 2.174 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H]2c2ccccc2)nc1 ZINC000367994834 166033020 /nfs/dbraw/zinc/03/30/20/166033020.db2.gz VNJMIRWLAIFZTP-MRXNPFEDSA-N 1 2 327.409 2.174 20 30 EEEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(OC(F)F)cc2)C(N)=O)cc1 ZINC000360062611 164225291 /nfs/dbraw/zinc/22/52/91/164225291.db2.gz XPTXDTLSGBYLMY-HNNXBMFYSA-N 1 2 331.322 2.476 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H]3CC4(CCC4)C(=O)O3)CCO2)c1 ZINC000375458754 167139264 /nfs/dbraw/zinc/13/92/64/167139264.db2.gz QVAUCINJCZYSRW-SJORKVTESA-N 1 2 326.396 2.417 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H]3CC4(CCC4)C(=O)O3)CCO2)c1 ZINC000375458754 167139265 /nfs/dbraw/zinc/13/92/65/167139265.db2.gz QVAUCINJCZYSRW-SJORKVTESA-N 1 2 326.396 2.417 20 30 EEEDLO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ncccc1F ZINC000528828584 269878426 /nfs/dbraw/zinc/87/84/26/269878426.db2.gz YXWUTZFJKYWFER-LBPRGKRZSA-N 1 2 333.388 2.217 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cncc(F)c3)CC2)cc1 ZINC000282086198 270016950 /nfs/dbraw/zinc/01/69/50/270016950.db2.gz YCBMNEDTMIELCS-UHFFFAOYSA-N 1 2 339.374 2.442 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ncccc2C)C1 ZINC000971310423 676479299 /nfs/dbraw/zinc/47/92/99/676479299.db2.gz QTVKVAPCRQEUGI-CYBMUJFWSA-N 1 2 338.249 2.445 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2ncccc2C)C1 ZINC000971310423 676479300 /nfs/dbraw/zinc/47/93/00/676479300.db2.gz QTVKVAPCRQEUGI-CYBMUJFWSA-N 1 2 338.249 2.445 20 30 EEEDLO Cc1ccc([C@H](CNc2cc(C)ncc2C#N)[NH+]2CCOCC2)cc1 ZINC000425217549 268046163 /nfs/dbraw/zinc/04/61/63/268046163.db2.gz UZCRBVHXORQKQJ-FQEVSTJZSA-N 1 2 336.439 2.477 20 30 EEEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCO[C@@H](C4CCC4)C3)C2=O)cc1 ZINC000333687597 268124368 /nfs/dbraw/zinc/12/43/68/268124368.db2.gz AOJHPFKYMZNDNU-QZTJIDSGSA-N 1 2 325.412 2.164 20 30 EEEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCO[C@@H](C4CCC4)C3)C2=O)cc1 ZINC000333687597 268124370 /nfs/dbraw/zinc/12/43/70/268124370.db2.gz AOJHPFKYMZNDNU-QZTJIDSGSA-N 1 2 325.412 2.164 20 30 EEEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000280328402 269351782 /nfs/dbraw/zinc/35/17/82/269351782.db2.gz HLKDFDSGKCDUBD-YVEFUNNKSA-N 1 2 349.818 2.030 20 30 EEEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000280328402 269351784 /nfs/dbraw/zinc/35/17/84/269351784.db2.gz HLKDFDSGKCDUBD-YVEFUNNKSA-N 1 2 349.818 2.030 20 30 EEEDLO CC(=O)N1CC[C@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c2ccccc21 ZINC000339761987 275469183 /nfs/dbraw/zinc/46/91/83/275469183.db2.gz VGZBGNUHMGHXIC-HKUYNNGSSA-N 1 2 348.406 2.172 20 30 EEEDLO CC(C)(C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[NH+]1CCOCC1 ZINC000416339208 275508576 /nfs/dbraw/zinc/50/85/76/275508576.db2.gz MDTWKQCZAQYIOW-QGZVFWFLSA-N 1 2 327.428 2.163 20 30 EEEDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)o1 ZINC000544520848 318189151 /nfs/dbraw/zinc/18/91/51/318189151.db2.gz ZBBDTJUORJSTBC-DTWKUNHWSA-N 1 2 345.428 2.478 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N3CCN(c4ccccc4C#N)CC3)ccn12 ZINC000576170346 320147342 /nfs/dbraw/zinc/14/73/42/320147342.db2.gz HHDIIWDJMWCEKQ-UHFFFAOYSA-N 1 2 345.406 2.477 20 30 EEEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2ccccc2Cl)c1=O ZINC000581520836 324268955 /nfs/dbraw/zinc/26/89/55/324268955.db2.gz RQPGDDAZEJKLML-UHFFFAOYSA-N 1 2 343.814 2.254 20 30 EEEDLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)n1C ZINC000581860819 324328935 /nfs/dbraw/zinc/32/89/35/324328935.db2.gz NBJQUTRIQYJJJY-INIZCTEOSA-N 1 2 338.411 2.245 20 30 EEEDLO Cc1cc(C(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)n1C ZINC000581860819 324328942 /nfs/dbraw/zinc/32/89/42/324328942.db2.gz NBJQUTRIQYJJJY-INIZCTEOSA-N 1 2 338.411 2.245 20 30 EEEDLO COc1cc(C#N)ccc1OCC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000582730841 324515727 /nfs/dbraw/zinc/51/57/27/324515727.db2.gz VVQCGPMTNRTHSP-UHFFFAOYSA-N 1 2 328.372 2.029 20 30 EEEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)ncc1C#N ZINC000603118062 450080221 /nfs/dbraw/zinc/08/02/21/450080221.db2.gz FFOYTRTVEWXPDG-UHFFFAOYSA-N 1 2 325.372 2.204 20 30 EEEDLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)CC1(C#N)CC1 ZINC000292792642 464344697 /nfs/dbraw/zinc/34/46/97/464344697.db2.gz ROWYUDFYSNZFFX-CQSZACIVSA-N 1 2 330.413 2.064 20 30 EEEDLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)Nc1ccc2c(c1)OCCCO2 ZINC000328781864 465126651 /nfs/dbraw/zinc/12/66/51/465126651.db2.gz JNPAPXUXMRWEDY-ZIAGYGMSSA-N 1 2 345.399 2.487 20 30 EEEDLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)Nc1ccc2c(c1)OCCCO2 ZINC000328781864 465126654 /nfs/dbraw/zinc/12/66/54/465126654.db2.gz JNPAPXUXMRWEDY-ZIAGYGMSSA-N 1 2 345.399 2.487 20 30 EEEDLO CC(C)(C)[C@@H]1C[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)CCO1 ZINC000328934832 465173576 /nfs/dbraw/zinc/17/35/76/465173576.db2.gz QDVWDWKWFMSDGM-GJZGRUSLSA-N 1 2 341.496 2.195 20 30 EEEDLO C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329080459 465226443 /nfs/dbraw/zinc/22/64/43/465226443.db2.gz RJMKTILHUNCULN-VQIMIIECSA-N 1 2 332.444 2.456 20 30 EEEDLO C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000329080459 465226446 /nfs/dbraw/zinc/22/64/46/465226446.db2.gz RJMKTILHUNCULN-VQIMIIECSA-N 1 2 332.444 2.456 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](c2ccccc2)C(C)C)C1=O ZINC000337198641 465238610 /nfs/dbraw/zinc/23/86/10/465238610.db2.gz AHCRVOFQBUHOFI-IEBWSBKVSA-N 1 2 343.471 2.219 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](c2ccccc2)C(C)C)C1=O ZINC000337198641 465238617 /nfs/dbraw/zinc/23/86/17/465238617.db2.gz AHCRVOFQBUHOFI-IEBWSBKVSA-N 1 2 343.471 2.219 20 30 EEEDLO C[C@H]1OCC[C@H]1C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000329116504 465238836 /nfs/dbraw/zinc/23/88/36/465238836.db2.gz NKMAQYVWKRRUQO-DGCLKSJQSA-N 1 2 330.388 2.413 20 30 EEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccc2c1O[C@@H](C)C(=O)N2 ZINC000329123534 465240140 /nfs/dbraw/zinc/24/01/40/465240140.db2.gz XFRYOCNXLKRKQE-NEPJUHHUSA-N 1 2 333.388 2.081 20 30 EEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cccc2c1O[C@@H](C)C(=O)N2 ZINC000329123534 465240146 /nfs/dbraw/zinc/24/01/46/465240146.db2.gz XFRYOCNXLKRKQE-NEPJUHHUSA-N 1 2 333.388 2.081 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N[C@H](C)c2ccccc2C)C1=O ZINC000337225798 465254361 /nfs/dbraw/zinc/25/43/61/465254361.db2.gz OUSFPKSXOWGAKL-NUJGCVRESA-N 1 2 343.471 2.279 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N[C@H](C)c2ccccc2C)C1=O ZINC000337225798 465254365 /nfs/dbraw/zinc/25/43/65/465254365.db2.gz OUSFPKSXOWGAKL-NUJGCVRESA-N 1 2 343.471 2.279 20 30 EEEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000329240971 465277107 /nfs/dbraw/zinc/27/71/07/465277107.db2.gz NCSWECIRZZAAGM-DAYGRLMNSA-N 1 2 333.432 2.496 20 30 EEEDLO CCc1ccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1 ZINC000347914741 465307372 /nfs/dbraw/zinc/30/73/72/465307372.db2.gz ILHBFFPRTCVTJG-QRWLVFNGSA-N 1 2 332.407 2.489 20 30 EEEDLO CCc1ccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1 ZINC000347914741 465307374 /nfs/dbraw/zinc/30/73/74/465307374.db2.gz ILHBFFPRTCVTJG-QRWLVFNGSA-N 1 2 332.407 2.489 20 30 EEEDLO CC[C@@H](C)n1ncc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1C1CC1 ZINC000329542979 465366968 /nfs/dbraw/zinc/36/69/68/465366968.db2.gz YBPOXEYQQQPBTJ-UHOFOFEASA-N 1 2 347.463 2.292 20 30 EEEDLO CC[C@@H](C)n1ncc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1C1CC1 ZINC000329542979 465366971 /nfs/dbraw/zinc/36/69/71/465366971.db2.gz YBPOXEYQQQPBTJ-UHOFOFEASA-N 1 2 347.463 2.292 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cn[nH]c1 ZINC000085825959 462561733 /nfs/dbraw/zinc/56/17/33/462561733.db2.gz NLRAYAYDLTWMCU-ZDUSSCGKSA-N 1 2 329.379 2.316 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1cn[nH]c1 ZINC000085825959 462561741 /nfs/dbraw/zinc/56/17/41/462561741.db2.gz NLRAYAYDLTWMCU-ZDUSSCGKSA-N 1 2 329.379 2.316 20 30 EEEDLO C=C(C)C[NH+]1CCN(S(=O)(=O)c2cccc3cc(C)cnc32)CC1 ZINC000046720899 462698072 /nfs/dbraw/zinc/69/80/72/462698072.db2.gz HOENJXULPPHPJE-UHFFFAOYSA-N 1 2 345.468 2.426 20 30 EEEDLO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115543086 462719221 /nfs/dbraw/zinc/71/92/21/462719221.db2.gz BBEIODGDRFNJLK-AEFFLSMTSA-N 1 2 337.427 2.272 20 30 EEEDLO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115543086 462719228 /nfs/dbraw/zinc/71/92/28/462719228.db2.gz BBEIODGDRFNJLK-AEFFLSMTSA-N 1 2 337.427 2.272 20 30 EEEDLO C=CCNC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000013294721 462889500 /nfs/dbraw/zinc/88/95/00/462889500.db2.gz GMGXGTKAZIMXLR-UHFFFAOYSA-N 1 2 343.387 2.349 20 30 EEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000590762392 468331733 /nfs/dbraw/zinc/33/17/33/468331733.db2.gz XTAMUZJDKCYOEJ-GZBFAFLISA-N 1 2 333.457 2.474 20 30 EEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000590762392 468331739 /nfs/dbraw/zinc/33/17/39/468331739.db2.gz XTAMUZJDKCYOEJ-GZBFAFLISA-N 1 2 333.457 2.474 20 30 EEEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)c3cccs3)CC2)c1 ZINC000051262180 463028129 /nfs/dbraw/zinc/02/81/29/463028129.db2.gz WZEVXWDKNVFXIF-UHFFFAOYSA-N 1 2 341.436 2.457 20 30 EEEDLO Cc1nnc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)c(C#N)c1C ZINC000052245856 463070638 /nfs/dbraw/zinc/07/06/38/463070638.db2.gz KWAUHFHOZPANBL-GFCCVEGCSA-N 1 2 338.415 2.197 20 30 EEEDLO N#CCC[C@H](C#N)CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000024097491 463078337 /nfs/dbraw/zinc/07/83/37/463078337.db2.gz XQNHHRYIQYZZGM-QGZVFWFLSA-N 1 2 340.427 2.019 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000052635565 463096615 /nfs/dbraw/zinc/09/66/15/463096615.db2.gz PDZSWQZYSHSQMO-AWEZNQCLSA-N 1 2 334.851 2.223 20 30 EEEDLO N#Cc1ccccc1CN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000052685217 463100042 /nfs/dbraw/zinc/10/00/42/463100042.db2.gz LDKLFDOAFHVVCB-UHFFFAOYSA-N 1 2 340.471 2.078 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cccnc2SC(F)F)CC1 ZINC000068445354 463138353 /nfs/dbraw/zinc/13/83/53/463138353.db2.gz YOZZOZDQYMRBKH-UHFFFAOYSA-N 1 2 325.384 2.177 20 30 EEEDLO C[C@@H]1CCCN(C(=O)C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1 ZINC000121543595 463154409 /nfs/dbraw/zinc/15/44/09/463154409.db2.gz HZUVJIBQYABCSV-IEBWSBKVSA-N 1 2 340.471 2.127 20 30 EEEDLO C[C@@H](C#N)CN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000079015264 463179230 /nfs/dbraw/zinc/17/92/30/463179230.db2.gz KVYKVVIIJPZREK-WFASDCNBSA-N 1 2 329.379 2.450 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2C2OCCO2)cc1Cl ZINC000069463794 463253326 /nfs/dbraw/zinc/25/33/26/463253326.db2.gz UJUUEMGLQPNPSY-HNNXBMFYSA-N 1 2 349.818 2.378 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2C2OCCO2)cc1Cl ZINC000069463794 463253330 /nfs/dbraw/zinc/25/33/30/463253330.db2.gz UJUUEMGLQPNPSY-HNNXBMFYSA-N 1 2 349.818 2.378 20 30 EEEDLO C#CC[N@@H+](CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)C1CC1 ZINC000491315790 468348616 /nfs/dbraw/zinc/34/86/16/468348616.db2.gz QIZVVIXATIVUCG-UHFFFAOYSA-N 1 2 336.439 2.203 20 30 EEEDLO C#CC[N@H+](CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)C1CC1 ZINC000491315790 468348621 /nfs/dbraw/zinc/34/86/21/468348621.db2.gz QIZVVIXATIVUCG-UHFFFAOYSA-N 1 2 336.439 2.203 20 30 EEEDLO N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000159969607 463313120 /nfs/dbraw/zinc/31/31/20/463313120.db2.gz ITELKYBUDJULGU-MRXNPFEDSA-N 1 2 349.438 2.056 20 30 EEEDLO C#CC[N@@H+](C[C@@H](C)c1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000491515635 468360037 /nfs/dbraw/zinc/36/00/37/468360037.db2.gz ORUGEVCEKKQMIE-MLGOLLRUSA-N 1 2 327.396 2.191 20 30 EEEDLO C#CC[N@H+](C[C@@H](C)c1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000491515635 468360042 /nfs/dbraw/zinc/36/00/42/468360042.db2.gz ORUGEVCEKKQMIE-MLGOLLRUSA-N 1 2 327.396 2.191 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)Cc1[nH+]ccn1C ZINC000161972259 463473810 /nfs/dbraw/zinc/47/38/10/463473810.db2.gz ONGUTJCAUVTEES-HNNXBMFYSA-N 1 2 325.416 2.187 20 30 EEEDLO C=C[C@@H](CC(=O)N1CCC[N@@H+](CC(=O)OCC)CC1)c1ccccc1 ZINC000124990949 463488531 /nfs/dbraw/zinc/48/85/31/463488531.db2.gz PPDAHTVRRPMZFX-KRWDZBQOSA-N 1 2 344.455 2.444 20 30 EEEDLO C=C[C@@H](CC(=O)N1CCC[N@H+](CC(=O)OCC)CC1)c1ccccc1 ZINC000124990949 463488536 /nfs/dbraw/zinc/48/85/36/463488536.db2.gz PPDAHTVRRPMZFX-KRWDZBQOSA-N 1 2 344.455 2.444 20 30 EEEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000125771343 463576357 /nfs/dbraw/zinc/57/63/57/463576357.db2.gz RXMZDNAAVOAJEV-IRXDYDNUSA-N 1 2 332.400 2.131 20 30 EEEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000125771343 463576360 /nfs/dbraw/zinc/57/63/60/463576360.db2.gz RXMZDNAAVOAJEV-IRXDYDNUSA-N 1 2 332.400 2.131 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000084475261 463605831 /nfs/dbraw/zinc/60/58/31/463605831.db2.gz DPFWMRCVNMZJNM-KXBFYZLASA-N 1 2 346.450 2.391 20 30 EEEDLO N#Cc1ccc(F)c(CS(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000164371604 463621376 /nfs/dbraw/zinc/62/13/76/463621376.db2.gz AAVFGSLYSZWZGG-OAHLLOKOSA-N 1 2 348.403 2.477 20 30 EEEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCCn1cc[nH+]c1 ZINC000043310527 463635338 /nfs/dbraw/zinc/63/53/38/463635338.db2.gz GZHSETVPYAADPQ-UHFFFAOYSA-N 1 2 336.317 2.253 20 30 EEEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000276663816 463709834 /nfs/dbraw/zinc/70/98/34/463709834.db2.gz UCJAWRPWTDXBIO-MRXNPFEDSA-N 1 2 341.415 2.445 20 30 EEEDLO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1nc(C(C)(C)C)no1 ZINC000185176862 463769831 /nfs/dbraw/zinc/76/98/31/463769831.db2.gz FOSUOEQDSFUUIV-TZMCWYRMSA-N 1 2 344.415 2.329 20 30 EEEDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)o1 ZINC000541681808 468379372 /nfs/dbraw/zinc/37/93/72/468379372.db2.gz LIVORARYNNQIHK-UDRCLVEDSA-N 1 2 333.436 2.348 20 30 EEEDLO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000277896022 463935132 /nfs/dbraw/zinc/93/51/32/463935132.db2.gz WISNXORLZDYPSU-HNNXBMFYSA-N 1 2 331.441 2.210 20 30 EEEDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000277896022 463935137 /nfs/dbraw/zinc/93/51/37/463935137.db2.gz WISNXORLZDYPSU-HNNXBMFYSA-N 1 2 331.441 2.210 20 30 EEEDLO CC1(C)C[N@H+](CCNC(=O)CSCc2ccc(C#N)cc2)CCO1 ZINC000194917148 463958094 /nfs/dbraw/zinc/95/80/94/463958094.db2.gz PEEIVVCJYNLPMF-UHFFFAOYSA-N 1 2 347.484 2.018 20 30 EEEDLO CC1(C)C[N@@H+](CCNC(=O)CSCc2ccc(C#N)cc2)CCO1 ZINC000194917148 463958099 /nfs/dbraw/zinc/95/80/99/463958099.db2.gz PEEIVVCJYNLPMF-UHFFFAOYSA-N 1 2 347.484 2.018 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278859862 464000749 /nfs/dbraw/zinc/00/07/49/464000749.db2.gz MXGRLWYHGXXPFQ-HUUCEWRRSA-N 1 2 348.422 2.072 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278859862 464000758 /nfs/dbraw/zinc/00/07/58/464000758.db2.gz MXGRLWYHGXXPFQ-HUUCEWRRSA-N 1 2 348.422 2.072 20 30 EEEDLO Cn1c2ccc(CNC(=O)C3(C#N)CCOCC3)cc2[nH+]c1C1CC1 ZINC000283773462 464005932 /nfs/dbraw/zinc/00/59/32/464005932.db2.gz TZNPVDJQXSECSA-UHFFFAOYSA-N 1 2 338.411 2.387 20 30 EEEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000195434904 464054022 /nfs/dbraw/zinc/05/40/22/464054022.db2.gz ICOGQWZKTKWYKZ-IRXDYDNUSA-N 1 2 328.460 2.205 20 30 EEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000195434904 464054026 /nfs/dbraw/zinc/05/40/26/464054026.db2.gz ICOGQWZKTKWYKZ-IRXDYDNUSA-N 1 2 328.460 2.205 20 30 EEEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nnc1-c1cnccn1 ZINC000195501620 464061414 /nfs/dbraw/zinc/06/14/14/464061414.db2.gz HBCDVXYVLIBHFL-UHFFFAOYSA-N 1 2 325.401 2.191 20 30 EEEDLO CC(C)OCc1nc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)no1 ZINC000289835168 464097715 /nfs/dbraw/zinc/09/77/15/464097715.db2.gz JWBKATANCIFOLL-SWLSCSKDSA-N 1 2 330.388 2.250 20 30 EEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](n3cccn3)C2)c(C#N)c1C ZINC000291908913 464162157 /nfs/dbraw/zinc/16/21/57/464162157.db2.gz RRDSLLSNZMWRNV-JSGCOSHPSA-N 1 2 327.388 2.239 20 30 EEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](n3cccn3)C2)c(C#N)c1C ZINC000291908913 464162164 /nfs/dbraw/zinc/16/21/64/464162164.db2.gz RRDSLLSNZMWRNV-JSGCOSHPSA-N 1 2 327.388 2.239 20 30 EEEDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000172979266 464173243 /nfs/dbraw/zinc/17/32/43/464173243.db2.gz ZKBMDGFLCWLIET-UHFFFAOYSA-N 1 2 341.864 2.174 20 30 EEEDLO CC(C)[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1nc(C2CC2)no1 ZINC000179829096 464195608 /nfs/dbraw/zinc/19/56/08/464195608.db2.gz HEHXRICFWVJTKJ-RHSMWYFYSA-N 1 2 333.436 2.288 20 30 EEEDLO N#CCCn1ccc(NC(=O)NCCCCNc2cccc[nH+]2)n1 ZINC000173337573 464241790 /nfs/dbraw/zinc/24/17/90/464241790.db2.gz DLYADFWLOZDZIC-UHFFFAOYSA-N 1 2 327.392 2.206 20 30 EEEDLO C#CCCCCC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000180133911 464248951 /nfs/dbraw/zinc/24/89/51/464248951.db2.gz APRZUMDHBHWJLQ-LJQANCHMSA-N 1 2 328.456 2.240 20 30 EEEDLO N#C[C@H]1CN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCO1 ZINC000270318769 464250443 /nfs/dbraw/zinc/25/04/43/464250443.db2.gz KFTHBJMPFQRDGK-HNNXBMFYSA-N 1 2 349.394 2.358 20 30 EEEDLO NC(=[NH+]OCCOc1ccccc1Br)[C@H]1CCCO1 ZINC000284579763 464251166 /nfs/dbraw/zinc/25/11/66/464251166.db2.gz XHGMOIYZLJEADD-GFCCVEGCSA-N 1 2 329.194 2.296 20 30 EEEDLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)CCCCC#N ZINC000292721183 464320320 /nfs/dbraw/zinc/32/03/20/464320320.db2.gz MUBGQVFEYOATKI-HNNXBMFYSA-N 1 2 332.429 2.455 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2)C1=O ZINC000281219654 464376684 /nfs/dbraw/zinc/37/66/84/464376684.db2.gz DRKAODPOCDYRBX-CJNGLKHVSA-N 1 2 349.862 2.236 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2)C1=O ZINC000281219654 464376688 /nfs/dbraw/zinc/37/66/88/464376688.db2.gz DRKAODPOCDYRBX-CJNGLKHVSA-N 1 2 349.862 2.236 20 30 EEEDLO 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/nfs/dbraw/zinc/41/24/77/464412477.db2.gz KURGCGPOIIIDQE-BBRMVZONSA-N 1 2 333.407 2.180 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2c(C)cccc2C)C1=O ZINC000281370407 464430643 /nfs/dbraw/zinc/43/06/43/464430643.db2.gz OMOYDVWVXGHOMY-CVEARBPZSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2c(C)cccc2C)C1=O ZINC000281370407 464430647 /nfs/dbraw/zinc/43/06/47/464430647.db2.gz OMOYDVWVXGHOMY-CVEARBPZSA-N 1 2 329.444 2.349 20 30 EEEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NCc1c[nH+]c2c(C)cccn12 ZINC000359647617 465476172 /nfs/dbraw/zinc/47/61/72/465476172.db2.gz HNAZBHLSZGEVPG-UHFFFAOYSA-N 1 2 343.394 3.016 20 30 EEEDLO C[N@H+]1CCN(C(=O)c2cc(O)cc(C#N)c2)[C@H](Cc2ccccc2)C1 ZINC000593850313 468407690 /nfs/dbraw/zinc/40/76/90/468407690.db2.gz TYGZEEJWNLFZKT-GOSISDBHSA-N 1 2 335.407 2.263 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000245525453 464491410 /nfs/dbraw/zinc/49/14/10/464491410.db2.gz VONIXYCHOKKVIB-JXFKEZNVSA-N 1 2 341.455 2.168 20 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/nfs/dbraw/zinc/32/29/90/466322990.db2.gz YZVULMYZYPEWKK-SFHVURJKSA-N 1 2 328.464 2.467 20 30 EEEDLO Cn1cc([C@@H]2CN(CCCCC#N)CC[N@H+]2CCCCC#N)cn1 ZINC000372352720 466322997 /nfs/dbraw/zinc/32/29/97/466322997.db2.gz YZVULMYZYPEWKK-SFHVURJKSA-N 1 2 328.464 2.467 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2C[C@H](OC)C[C@H]2C(=O)OC)cc1OC ZINC000372399180 466352985 /nfs/dbraw/zinc/35/29/85/466352985.db2.gz DAKSFTIWOPRSRC-CABCVRRESA-N 1 2 335.400 2.022 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2C[C@H](OC)C[C@H]2C(=O)OC)cc1OC ZINC000372399180 466352987 /nfs/dbraw/zinc/35/29/87/466352987.db2.gz DAKSFTIWOPRSRC-CABCVRRESA-N 1 2 335.400 2.022 20 30 EEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1nnc(-c2sccc2C)o1 ZINC000361996258 466469792 /nfs/dbraw/zinc/46/97/92/466469792.db2.gz LNYVVFPEPCUYRL-UHFFFAOYSA-N 1 2 336.417 2.179 20 30 EEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1nnc(-c2sccc2C)o1 ZINC000361996258 466469798 /nfs/dbraw/zinc/46/97/98/466469798.db2.gz LNYVVFPEPCUYRL-UHFFFAOYSA-N 1 2 336.417 2.179 20 30 EEEDLO COc1cc(OC)cc(C(=O)N2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000332470717 466542610 /nfs/dbraw/zinc/54/26/10/466542610.db2.gz SQHALHOAPMUDFM-GOEBONIOSA-N 1 2 343.427 2.154 20 30 EEEDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000317402274 466579942 /nfs/dbraw/zinc/57/99/42/466579942.db2.gz WRQOZZKTKAOYIL-GFCCVEGCSA-N 1 2 341.864 2.316 20 30 EEEDLO CN(CC(=O)N(C)C1(C#N)CCCCC1)Cc1cn2c([nH+]1)CCCC2 ZINC000373000422 466660194 /nfs/dbraw/zinc/66/01/94/466660194.db2.gz VITCOMSTSWJZCK-UHFFFAOYSA-N 1 2 343.475 2.336 20 30 EEEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1S(=O)(=O)[C@@H](C)C#N ZINC000416442229 466734688 /nfs/dbraw/zinc/73/46/88/466734688.db2.gz SOMTXAAMBQMEML-JSGCOSHPSA-N 1 2 332.429 2.051 20 30 EEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CCCCC)C(C)C)CC1 ZINC000370330625 466838320 /nfs/dbraw/zinc/83/83/20/466838320.db2.gz VVOSCJFPVHCTSU-SFHVURJKSA-N 1 2 349.519 2.123 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CCCCC)C(C)C)CC1 ZINC000370330625 466838323 /nfs/dbraw/zinc/83/83/23/466838323.db2.gz VVOSCJFPVHCTSU-SFHVURJKSA-N 1 2 349.519 2.123 20 30 EEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)nn1 ZINC000424294958 467023139 /nfs/dbraw/zinc/02/31/39/467023139.db2.gz MAKKXCSRFSCISF-LBPRGKRZSA-N 1 2 329.404 2.282 20 30 EEEDLO C[C@H]1CN(c2ccc(CNc3ncc(C#N)cc3F)c[nH+]2)CCO1 ZINC000413061286 467163556 /nfs/dbraw/zinc/16/35/56/467163556.db2.gz OXUAKWWJCCPJCV-LBPRGKRZSA-N 1 2 327.363 2.325 20 30 EEEDLO Cc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c(C#N)cc1[N+](=O)[O-] ZINC000413282716 467206167 /nfs/dbraw/zinc/20/61/67/467206167.db2.gz QHDBUFNYUCPKNR-UKRRQHHQSA-N 1 2 330.388 2.074 20 30 EEEDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000451983750 467294360 /nfs/dbraw/zinc/29/43/60/467294360.db2.gz CONFCVCLQNPOGR-HNNXBMFYSA-N 1 2 325.416 2.047 20 30 EEEDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000451983750 467294363 /nfs/dbraw/zinc/29/43/63/467294363.db2.gz CONFCVCLQNPOGR-HNNXBMFYSA-N 1 2 325.416 2.047 20 30 EEEDLO CCOc1ccc(OCCNC(=O)C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000433301015 467315629 /nfs/dbraw/zinc/31/56/29/467315629.db2.gz FFWNCLHTBHOQRM-UHFFFAOYSA-N 1 2 333.432 2.062 20 30 EEEDLO CCOc1ccc(OCCNC(=O)C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000433301015 467315632 /nfs/dbraw/zinc/31/56/32/467315632.db2.gz FFWNCLHTBHOQRM-UHFFFAOYSA-N 1 2 333.432 2.062 20 30 EEEDLO C[N@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)CC(C)(C)C#N ZINC000433300686 467315919 /nfs/dbraw/zinc/31/59/19/467315919.db2.gz UCGAPSSUNGHYFM-UHFFFAOYSA-N 1 2 346.475 2.263 20 30 EEEDLO C[N@@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)CC(C)(C)C#N ZINC000433300686 467315921 /nfs/dbraw/zinc/31/59/21/467315921.db2.gz UCGAPSSUNGHYFM-UHFFFAOYSA-N 1 2 346.475 2.263 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(Oc2cccnc2)cc1 ZINC000414125559 467380194 /nfs/dbraw/zinc/38/01/94/467380194.db2.gz NAHIMHPPKLCFLM-OAHLLOKOSA-N 1 2 327.384 2.459 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(Oc2cccnc2)cc1 ZINC000414125559 467380196 /nfs/dbraw/zinc/38/01/96/467380196.db2.gz NAHIMHPPKLCFLM-OAHLLOKOSA-N 1 2 327.384 2.459 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccccc1Oc1ccccn1 ZINC000414140250 467381809 /nfs/dbraw/zinc/38/18/09/467381809.db2.gz LIVMKZCWPDFLSJ-OAHLLOKOSA-N 1 2 327.384 2.459 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1Oc1ccccn1 ZINC000414140250 467381812 /nfs/dbraw/zinc/38/18/12/467381812.db2.gz LIVMKZCWPDFLSJ-OAHLLOKOSA-N 1 2 327.384 2.459 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(-c2noc(C3CC3)n2)cc1 ZINC000414141775 467383060 /nfs/dbraw/zinc/38/30/60/467383060.db2.gz HNWVOWXMHIISIM-HNNXBMFYSA-N 1 2 342.399 2.199 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(-c2noc(C3CC3)n2)cc1 ZINC000414141775 467383062 /nfs/dbraw/zinc/38/30/62/467383062.db2.gz HNWVOWXMHIISIM-HNNXBMFYSA-N 1 2 342.399 2.199 20 30 EEEDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000444780455 467583565 /nfs/dbraw/zinc/58/35/65/467583565.db2.gz FGZBVZJICKFXBB-QAPCUYQASA-N 1 2 337.464 2.192 20 30 EEEDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000444780455 467583566 /nfs/dbraw/zinc/58/35/66/467583566.db2.gz FGZBVZJICKFXBB-QAPCUYQASA-N 1 2 337.464 2.192 20 30 EEEDLO C=CC[C@H]1N(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CCCC1(C)C ZINC000445088359 467584057 /nfs/dbraw/zinc/58/40/57/467584057.db2.gz GDSBDSMQFFYQMG-IAGOWNOFSA-N 1 2 336.524 2.399 20 30 EEEDLO Cc1cc(C[NH+]2CCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)on1 ZINC000450235380 467805529 /nfs/dbraw/zinc/80/55/29/467805529.db2.gz VNDVADPKVDMKLE-UHFFFAOYSA-N 1 2 327.344 2.085 20 30 EEEDLO N#Cc1cccc(NCc2ccc[nH+]c2N2CCOCC2)c1[N+](=O)[O-] ZINC000450246750 467808012 /nfs/dbraw/zinc/80/80/12/467808012.db2.gz LKZNBXXERJMCTO-UHFFFAOYSA-N 1 2 339.355 2.310 20 30 EEEDLO C[C@H](SCC(=O)N[C@](C)(C#N)C[NH+](C)C)c1nc2ccccc2[nH]1 ZINC000514604385 467943067 /nfs/dbraw/zinc/94/30/67/467943067.db2.gz DVLHHJYSRLQDGM-YVEFUNNKSA-N 1 2 345.472 2.317 20 30 EEEDLO CC(C)C[C@@H](CNC(=O)[C@]1(C#N)CC12CCCC2)[NH+]1CCOCC1 ZINC000517281602 468080000 /nfs/dbraw/zinc/08/00/00/468080000.db2.gz AIABTPTVPMHWBN-QFBILLFUSA-N 1 2 333.476 2.324 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000531950588 468086472 /nfs/dbraw/zinc/08/64/72/468086472.db2.gz VFRPJKTXJAVTHO-VQBCORBOSA-N 1 2 330.472 2.491 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000531950588 468086473 /nfs/dbraw/zinc/08/64/73/468086473.db2.gz VFRPJKTXJAVTHO-VQBCORBOSA-N 1 2 330.472 2.491 20 30 EEEDLO CC(C)CN1C[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)CCN2C1=O ZINC000488741620 468101001 /nfs/dbraw/zinc/10/10/01/468101001.db2.gz BYKFNWCQQLJDAS-INIZCTEOSA-N 1 2 330.407 2.275 20 30 EEEDLO CC(C)CN1C[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)CCN2C1=O ZINC000488741620 468101004 /nfs/dbraw/zinc/10/10/04/468101004.db2.gz BYKFNWCQQLJDAS-INIZCTEOSA-N 1 2 330.407 2.275 20 30 EEEDLO CC(C)CN1C[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)CCN2C1=O ZINC000488778952 468104697 /nfs/dbraw/zinc/10/46/97/468104697.db2.gz IRRQYOXZQMMJLE-MRXNPFEDSA-N 1 2 330.407 2.275 20 30 EEEDLO CC(C)CN1C[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)CCN2C1=O ZINC000488778952 468104699 /nfs/dbraw/zinc/10/46/99/468104699.db2.gz IRRQYOXZQMMJLE-MRXNPFEDSA-N 1 2 330.407 2.275 20 30 EEEDLO C=CCCCS(=O)(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000489118064 468120788 /nfs/dbraw/zinc/12/07/88/468120788.db2.gz RPMWLEJGUDMPFT-INIZCTEOSA-N 1 2 332.510 2.009 20 30 EEEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000489439741 468136278 /nfs/dbraw/zinc/13/62/78/468136278.db2.gz RRTZZGYJVHQWKW-LLVKDONJSA-N 1 2 333.344 2.303 20 30 EEEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000489439741 468136285 /nfs/dbraw/zinc/13/62/85/468136285.db2.gz RRTZZGYJVHQWKW-LLVKDONJSA-N 1 2 333.344 2.303 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000589827856 468186907 /nfs/dbraw/zinc/18/69/07/468186907.db2.gz SKMMDZBISNQVEP-IBGZPJMESA-N 1 2 325.412 2.424 20 30 EEEDLO C=CCn1cc(CNC(=O)N2CCCC[C@@H]2c2[nH+]ccn2CC)nn1 ZINC000569717257 468534013 /nfs/dbraw/zinc/53/40/13/468534013.db2.gz ZTAPYZBYDDTEGV-OAHLLOKOSA-N 1 2 343.435 2.117 20 30 EEEDLO N#Cc1ccncc1N1CC[NH+](CCOc2ccccc2F)CC1 ZINC000569783468 468541468 /nfs/dbraw/zinc/54/14/68/468541468.db2.gz BJHAXYXTRNJPCP-UHFFFAOYSA-N 1 2 326.375 2.293 20 30 EEEDLO COc1ccc(Br)cc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148352 468638130 /nfs/dbraw/zinc/63/81/30/468638130.db2.gz UJZBHCDNOZHEDJ-CQSZACIVSA-N 1 2 325.206 2.308 20 30 EEEDLO COc1ccc(Br)cc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148352 468638131 /nfs/dbraw/zinc/63/81/31/468638131.db2.gz UJZBHCDNOZHEDJ-CQSZACIVSA-N 1 2 325.206 2.308 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2c(C(C)C)nc3sc(C)nn23)C1=O ZINC000583077239 468639261 /nfs/dbraw/zinc/63/92/61/468639261.db2.gz MQSRKZJDJBDYBC-ZDUSSCGKSA-N 1 2 347.488 2.441 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2c(C(C)C)nc3sc(C)nn23)C1=O ZINC000583077239 468639264 /nfs/dbraw/zinc/63/92/64/468639264.db2.gz MQSRKZJDJBDYBC-ZDUSSCGKSA-N 1 2 347.488 2.441 20 30 EEEDLO CN(Cc1c[nH+]c[nH]1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000597858688 468696370 /nfs/dbraw/zinc/69/63/70/468696370.db2.gz VPIPERXXMWXBSD-UHFFFAOYSA-N 1 2 341.390 2.295 20 30 EEEDLO CN(Cc1c[nH]c[nH+]1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000597858688 468696374 /nfs/dbraw/zinc/69/63/74/468696374.db2.gz VPIPERXXMWXBSD-UHFFFAOYSA-N 1 2 341.390 2.295 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc4ccccc4n3)CC2)nc1 ZINC000595295645 468803813 /nfs/dbraw/zinc/80/38/13/468803813.db2.gz NTKRQDKDOBUECJ-UHFFFAOYSA-N 1 2 330.395 2.219 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)c(F)c1 ZINC000572072549 468880154 /nfs/dbraw/zinc/88/01/54/468880154.db2.gz MEUFPEIVFNHNCM-UHFFFAOYSA-N 1 2 336.432 2.488 20 30 EEEDLO C[C@H](NC[C@@H](C#N)CCC#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562189226 468922175 /nfs/dbraw/zinc/92/21/75/468922175.db2.gz PSTXVXCTDZPVLC-UHOSZYNNSA-N 1 2 326.444 2.309 20 30 EEEDLO C[C@H](NC[C@@H](C#N)CCC#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562189226 468922180 /nfs/dbraw/zinc/92/21/80/468922180.db2.gz PSTXVXCTDZPVLC-UHOSZYNNSA-N 1 2 326.444 2.309 20 30 EEEDLO N#CC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000595620295 468926054 /nfs/dbraw/zinc/92/60/54/468926054.db2.gz LOVIGYMFDMJLIM-BBRMVZONSA-N 1 2 328.372 2.326 20 30 EEEDLO N#CC[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000595620295 468926058 /nfs/dbraw/zinc/92/60/58/468926058.db2.gz LOVIGYMFDMJLIM-BBRMVZONSA-N 1 2 328.372 2.326 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000572726500 468982146 /nfs/dbraw/zinc/98/21/46/468982146.db2.gz YOVIFDHTMGKHGZ-HNNXBMFYSA-N 1 2 343.349 2.478 20 30 EEEDLO Cc1ncc(CNC(=O)CC[N@H+](CCC#N)Cc2ccco2)s1 ZINC000602778399 469067376 /nfs/dbraw/zinc/06/73/76/469067376.db2.gz BGVJOSAIOHMPEC-UHFFFAOYSA-N 1 2 332.429 2.467 20 30 EEEDLO Cc1ncc(CNC(=O)CC[N@@H+](CCC#N)Cc2ccco2)s1 ZINC000602778399 469067383 /nfs/dbraw/zinc/06/73/83/469067383.db2.gz BGVJOSAIOHMPEC-UHFFFAOYSA-N 1 2 332.429 2.467 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610844661 469087180 /nfs/dbraw/zinc/08/71/80/469087180.db2.gz IMIPXLBABVQRQF-BFUOFWGJSA-N 1 2 339.443 2.405 20 30 EEEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000614924746 469096723 /nfs/dbraw/zinc/09/67/23/469096723.db2.gz LGVMJMIXILGCHB-VHDGCEQUSA-N 1 2 349.397 2.473 20 30 EEEDLO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000614924746 469096724 /nfs/dbraw/zinc/09/67/24/469096724.db2.gz LGVMJMIXILGCHB-VHDGCEQUSA-N 1 2 349.397 2.473 20 30 EEEDLO C[C@H](CC#N)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000602864211 469127323 /nfs/dbraw/zinc/12/73/23/469127323.db2.gz RDWDNSAYTJAYML-SNVBAGLBSA-N 1 2 331.235 2.115 20 30 EEEDLO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[NH2+][C@@H](C)CC#N ZINC000602865700 469127228 /nfs/dbraw/zinc/12/72/28/469127228.db2.gz XNVISLAVEKLWTN-AWEZNQCLSA-N 1 2 339.443 2.056 20 30 EEEDLO C[C@H](CC#N)[NH2+]CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000602867494 469129424 /nfs/dbraw/zinc/12/94/24/469129424.db2.gz CVFJKQAKZNVZDK-CYBMUJFWSA-N 1 2 326.400 2.176 20 30 EEEDLO CCc1nc(C#N)cc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)n1 ZINC000596080343 469144758 /nfs/dbraw/zinc/14/47/58/469144758.db2.gz IFCJQKYQWQYRCY-BETUJISGSA-N 1 2 338.415 2.663 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000611124211 469168868 /nfs/dbraw/zinc/16/88/68/469168868.db2.gz MRBUDPKQPLKWQF-SJLPKXTDSA-N 1 2 349.438 2.277 20 30 EEEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C ZINC000563364250 469235771 /nfs/dbraw/zinc/23/57/71/469235771.db2.gz GRFGPJHNRAMBOB-ZIAGYGMSSA-N 1 2 333.432 2.471 20 30 EEEDLO CC(C)N1CC[C@@H]([NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1=O ZINC000611553050 469277834 /nfs/dbraw/zinc/27/78/34/469277834.db2.gz PNIPBUYQBSZEEE-QZTJIDSGSA-N 1 2 344.434 2.017 20 30 EEEDLO N#Cc1cc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)ccn1 ZINC000603140671 469279176 /nfs/dbraw/zinc/27/91/76/469279176.db2.gz YFVKVDOEEIMPEZ-UHFFFAOYSA-N 1 2 327.413 2.364 20 30 EEEDLO N#CCCOCCN(CC[NH+]1CCOCC1)c1ccccc1Cl ZINC000599613228 469309478 /nfs/dbraw/zinc/30/94/78/469309478.db2.gz KWTPZMBJLQSSBP-UHFFFAOYSA-N 1 2 337.851 2.409 20 30 EEEDLO N#CC1(CC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCCCC1 ZINC000596694581 469337068 /nfs/dbraw/zinc/33/70/68/469337068.db2.gz JWDJVJNCEKUEBL-UHFFFAOYSA-N 1 2 342.443 2.399 20 30 EEEDLO Cc1ccn2cc(CNS(=O)(=O)c3cccc(CC#N)c3)[nH+]c2c1 ZINC000619478294 469620698 /nfs/dbraw/zinc/62/06/98/469620698.db2.gz XPAPUJHKWKYVLC-UHFFFAOYSA-N 1 2 340.408 2.187 20 30 EEEDLO Cc1onc(CC(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)c1C#N ZINC000619777971 469681293 /nfs/dbraw/zinc/68/12/93/469681293.db2.gz JWBVXWXUGWYFSL-MRXNPFEDSA-N 1 2 344.802 2.224 20 30 EEEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1ccc(C#N)cc1 ZINC000609443088 469927516 /nfs/dbraw/zinc/92/75/16/469927516.db2.gz IJMZZQOFYWDTHE-LJQANCHMSA-N 1 2 345.406 2.188 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccnn1CCC)Cc1ccc(CO)o1 ZINC000639641762 470590561 /nfs/dbraw/zinc/59/05/61/470590561.db2.gz NDWZCPFDWPWRRX-UHFFFAOYSA-N 1 2 346.431 2.395 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)Nc1ccnn1CCC)Cc1ccc(CO)o1 ZINC000639641762 470590569 /nfs/dbraw/zinc/59/05/69/470590569.db2.gz NDWZCPFDWPWRRX-UHFFFAOYSA-N 1 2 346.431 2.395 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)nn1 ZINC000641064849 471186836 /nfs/dbraw/zinc/18/68/36/471186836.db2.gz UDCXGCIRJQIGJZ-MRXNPFEDSA-N 1 2 343.818 2.022 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000668967898 471330334 /nfs/dbraw/zinc/33/03/34/471330334.db2.gz KUAQKRJRPFPTPK-HNNXBMFYSA-N 1 2 344.459 2.159 20 30 EEEDLO C=C[C@H](O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000668573745 472179682 /nfs/dbraw/zinc/17/96/82/472179682.db2.gz HUYAZAQELRBRDJ-HIFRSBDPSA-N 1 2 326.799 2.107 20 30 EEEDLO C=C[C@H](O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000668573745 472179687 /nfs/dbraw/zinc/17/96/87/472179687.db2.gz HUYAZAQELRBRDJ-HIFRSBDPSA-N 1 2 326.799 2.107 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccccc2Cl)nn1 ZINC000640882130 485483048 /nfs/dbraw/zinc/48/30/48/485483048.db2.gz WPABGDBKXHUHRR-GFCCVEGCSA-N 1 2 331.807 2.244 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000682164359 486430391 /nfs/dbraw/zinc/43/03/91/486430391.db2.gz OBJMYQWFOYGVGH-CRAIPNDOSA-N 1 2 335.448 2.245 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000682164359 486430392 /nfs/dbraw/zinc/43/03/92/486430392.db2.gz OBJMYQWFOYGVGH-CRAIPNDOSA-N 1 2 335.448 2.245 20 30 EEEDLO Cc1ccc(CC(=O)N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)cc1 ZINC000191306356 533745722 /nfs/dbraw/zinc/74/57/22/533745722.db2.gz ZJYVOTICCOVCAD-UHFFFAOYSA-N 1 2 336.439 2.092 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000111858399 526944788 /nfs/dbraw/zinc/94/47/88/526944788.db2.gz GUKVYVMDHGOMEF-HZPDHXFCSA-N 1 2 347.459 2.160 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000178269422 527626238 /nfs/dbraw/zinc/62/62/38/527626238.db2.gz IVFGXDZNEXCUAY-KGLIPLIRSA-N 1 2 333.398 2.144 20 30 EEEDLO C#CCNC(=O)c1ccccc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000726753811 576294571 /nfs/dbraw/zinc/29/45/71/576294571.db2.gz HIYMAUYRMRLLPL-UHFFFAOYSA-N 1 2 346.390 2.187 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000730096875 576714544 /nfs/dbraw/zinc/71/45/44/576714544.db2.gz YHQOZJDWMLMMJR-KRWDZBQOSA-N 1 2 327.428 2.205 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000730096875 576714545 /nfs/dbraw/zinc/71/45/45/576714545.db2.gz YHQOZJDWMLMMJR-KRWDZBQOSA-N 1 2 327.428 2.205 20 30 EEEDLO C[NH+](C)CCCNC(=S)NN=Cc1cc(Cl)cc(Cl)c1O ZINC000731928917 577135791 /nfs/dbraw/zinc/13/57/91/577135791.db2.gz QVAFEVNGKMYRGV-UHFFFAOYSA-N 1 2 349.287 2.449 20 30 EEEDLO C=CCNC(=S)N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000732625065 577186185 /nfs/dbraw/zinc/18/61/85/577186185.db2.gz BSMCHGZFMBUVBZ-OAHLLOKOSA-N 1 2 339.892 2.052 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NCCNc1ncccc1C#N ZINC000772399308 577269873 /nfs/dbraw/zinc/26/98/73/577269873.db2.gz WZJKXZGXARQLFS-UHFFFAOYSA-N 1 2 348.410 2.230 20 30 EEEDLO C#C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[C@H]1CCCO1 ZINC000775346657 577435578 /nfs/dbraw/zinc/43/55/78/577435578.db2.gz JSBUQOQAJRJTLV-GBESFXJTSA-N 1 2 344.430 2.477 20 30 EEEDLO C#C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[C@H]1CCCO1 ZINC000775346657 577435579 /nfs/dbraw/zinc/43/55/79/577435579.db2.gz JSBUQOQAJRJTLV-GBESFXJTSA-N 1 2 344.430 2.477 20 30 EEEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc2[nH+]ccn21 ZINC000776804482 577468383 /nfs/dbraw/zinc/46/83/83/577468383.db2.gz GPXSKYALPPMWEQ-UHFFFAOYSA-N 1 2 334.379 2.495 20 30 EEEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000766663829 577522982 /nfs/dbraw/zinc/52/29/82/577522982.db2.gz MRXNMSASTMJODZ-INIZCTEOSA-N 1 2 347.418 2.393 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000766663829 577522983 /nfs/dbraw/zinc/52/29/83/577522983.db2.gz MRXNMSASTMJODZ-INIZCTEOSA-N 1 2 347.418 2.393 20 30 EEEDLO COCCS(=O)(=O)CCC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000767725286 577543732 /nfs/dbraw/zinc/54/37/32/577543732.db2.gz SEQYFLJOTKTNNS-UHFFFAOYSA-N 1 2 348.468 2.099 20 30 EEEDLO COCCS(=O)(=O)CCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000767725286 577543733 /nfs/dbraw/zinc/54/37/33/577543733.db2.gz SEQYFLJOTKTNNS-UHFFFAOYSA-N 1 2 348.468 2.099 20 30 EEEDLO COc1ccc2c(c1)C(=NOCc1cc(OC)cc(C)[nH+]1)C(=O)N2 ZINC000769565458 577580606 /nfs/dbraw/zinc/58/06/06/577580606.db2.gz XGARGJLULYVWJW-UHFFFAOYSA-N 1 2 327.340 2.280 20 30 EEEDLO C=CCNc1ncc(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)s1 ZINC000770951399 577606774 /nfs/dbraw/zinc/60/67/74/577606774.db2.gz GKGGFIGYZUIIPE-UHFFFAOYSA-N 1 2 340.412 2.252 20 30 EEEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1nc2n(c1=O)CCCC2 ZINC000758297920 577621056 /nfs/dbraw/zinc/62/10/56/577621056.db2.gz JGLHFOXAKPDULG-UHFFFAOYSA-N 1 2 325.416 2.122 20 30 EEEDLO CCC[N@H+](Cc1ccc(C#N)cc1)Cn1nc2n(c1=O)CCCC2 ZINC000758297920 577621057 /nfs/dbraw/zinc/62/10/57/577621057.db2.gz JGLHFOXAKPDULG-UHFFFAOYSA-N 1 2 325.416 2.122 20 30 EEEDLO Cc1[nH]c[nH+]c1C=NN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O ZINC000755533351 577826468 /nfs/dbraw/zinc/82/64/68/577826468.db2.gz OWSCZVDLDSRVCJ-UHFFFAOYSA-N 1 2 349.306 2.410 20 30 EEEDLO Cc1cc(N=NCc2c(-n3cc[nH+]c3)nc3ccccn32)nc(C)n1 ZINC000755649706 577828571 /nfs/dbraw/zinc/82/85/71/577828571.db2.gz YNNYGIGRJQHBAS-UHFFFAOYSA-N 1 2 332.371 2.373 20 30 EEEDLO COc1cccc(CN(C)C(=O)CO[NH+]=C(N)c2ccc(F)cc2)c1 ZINC000747827798 577950828 /nfs/dbraw/zinc/95/08/28/577950828.db2.gz QGCWJRLWUSDQGP-UHFFFAOYSA-N 1 2 345.374 2.130 20 30 EEEDLO N#Cc1ccc(O)c(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000748410859 577961317 /nfs/dbraw/zinc/96/13/17/577961317.db2.gz RRFACEJAHBXXQK-UHFFFAOYSA-N 1 2 337.379 2.348 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CCO2)c1 ZINC000826386811 608070384 /nfs/dbraw/zinc/07/03/84/608070384.db2.gz UCDKLVLNCYVCAE-GOSISDBHSA-N 1 2 346.394 2.312 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CCO2)c1 ZINC000826386811 608070385 /nfs/dbraw/zinc/07/03/85/608070385.db2.gz UCDKLVLNCYVCAE-GOSISDBHSA-N 1 2 346.394 2.312 20 30 EEEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2c(F)cccc2F)C1 ZINC000969461830 675057671 /nfs/dbraw/zinc/05/76/71/675057671.db2.gz BNCUFAGTRUAUCN-NSHDSACASA-N 1 2 344.365 2.415 20 30 EEEDLO Cc1nc(C[NH+]2CC([C@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)sc1C ZINC000969463855 675059254 /nfs/dbraw/zinc/05/92/54/675059254.db2.gz WKJIOZBPHSNSOL-NSHDSACASA-N 1 2 343.456 2.210 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC000970473545 675920934 /nfs/dbraw/zinc/92/09/34/675920934.db2.gz PCQDTAVTDSWMTP-LLVKDONJSA-N 1 2 334.807 2.472 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](Cc3ncc(C)s3)C2)nc1 ZINC000970765052 676133288 /nfs/dbraw/zinc/13/32/88/676133288.db2.gz ZEBLNZPJHXANJG-ZDUSSCGKSA-N 1 2 340.452 2.078 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@@H](C)c3ncc(C)o3)C2)nc1 ZINC000970762496 676132082 /nfs/dbraw/zinc/13/20/82/676132082.db2.gz FCHKZTGBYPIKQX-KBPBESRZSA-N 1 2 338.411 2.171 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnc3[nH]c(C)nc3c2)C1 ZINC000969820525 675225716 /nfs/dbraw/zinc/22/57/16/675225716.db2.gz KPDZZNDUHQDEAT-SNVBAGLBSA-N 1 2 333.823 2.069 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(C(F)(F)F)no2)C1 ZINC000969901382 675295167 /nfs/dbraw/zinc/29/51/67/675295167.db2.gz FECDFJDAVLGPAN-QMMMGPOBSA-N 1 2 337.729 2.496 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2nc3cnccc3s2)C1 ZINC000970119345 675523774 /nfs/dbraw/zinc/52/37/74/675523774.db2.gz GGAWWVRPQXZOGP-SNVBAGLBSA-N 1 2 336.848 2.494 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccnc2-n2cccn2)C1 ZINC000970249769 675742895 /nfs/dbraw/zinc/74/28/95/675742895.db2.gz AUPKSMJKFVELCX-CYBMUJFWSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cn(CCC(C)C)nn2)C1 ZINC000970410215 675863528 /nfs/dbraw/zinc/86/35/28/675863528.db2.gz CLXNGPNMFCUTIC-ZDUSSCGKSA-N 1 2 339.871 2.127 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC000970966636 676278171 /nfs/dbraw/zinc/27/81/71/676278171.db2.gz SJYCUOWZKAJVGC-GOSISDBHSA-N 1 2 338.386 2.439 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC000970966636 676278174 /nfs/dbraw/zinc/27/81/74/676278174.db2.gz SJYCUOWZKAJVGC-GOSISDBHSA-N 1 2 338.386 2.439 20 30 EEEDLO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001067567536 676289854 /nfs/dbraw/zinc/28/98/54/676289854.db2.gz QMJIHEZBCVXQRA-UHFFFAOYSA-N 1 2 334.464 2.016 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(C)C(C)(C)C3(C)C)C2)C1 ZINC000972700173 679667807 /nfs/dbraw/zinc/66/78/07/679667807.db2.gz TUQAYJQSUZFSNJ-FQEVSTJZSA-N 1 2 332.488 2.385 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(C)C(C)(C)C3(C)C)C2)C1 ZINC000972700173 679667808 /nfs/dbraw/zinc/66/78/08/679667808.db2.gz TUQAYJQSUZFSNJ-FQEVSTJZSA-N 1 2 332.488 2.385 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CC(F)(F)F)C1 ZINC000971165990 676420152 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EEEDLO C[N@@H+](CCCNC(=O)C#CC(C)(C)C)Cc1nc(C2CCC2)no1 ZINC001751972590 1178738729 /nfs/dbraw/zinc/73/87/29/1178738729.db2.gz PPJKVMUGZCPXRJ-UHFFFAOYSA-N 1 2 332.448 2.325 20 30 EEEDLO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2nc(C3CCCC3)no2)C(C)(C)C1 ZINC000995584202 1193163980 /nfs/dbraw/zinc/16/39/80/1193163980.db2.gz STFNHIJAFMTBKG-TZMCWYRMSA-N 1 2 345.447 2.213 20 30 EEEDLO C=CCN1CC[C@]2(CCCN2C(=O)CCc2ccc(C)[nH+]c2C)C1=O ZINC001269506221 1184327088 /nfs/dbraw/zinc/32/70/88/1184327088.db2.gz FYAWCWIEYGETNF-HXUWFJFHSA-N 1 2 341.455 2.411 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2c(Cl)cnn2C)C1 ZINC001034208262 1195946686 /nfs/dbraw/zinc/94/66/86/1195946686.db2.gz SOLIWPAFFYJQQJ-NSHDSACASA-N 1 2 331.247 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2c(Cl)cnn2C)C1 ZINC001034208262 1195946691 /nfs/dbraw/zinc/94/66/91/1195946691.db2.gz SOLIWPAFFYJQQJ-NSHDSACASA-N 1 2 331.247 2.410 20 30 EEEDLO N#CCN[C@@H]1CCCCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001088408536 1186818282 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CC/C=C(/C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001211964253 1187484566 /nfs/dbraw/zinc/48/45/66/1187484566.db2.gz HSJKIFBJFSALCQ-MQDLAIGISA-N 1 2 344.430 2.349 20 30 EEEDLO N#CCCCN1CC[C@]2(CCC[N@H+](Cc3csnn3)CC2)C1=O ZINC001272780199 1193495594 /nfs/dbraw/zinc/49/55/94/1193495594.db2.gz BLZZJKBOQZDMQN-MRXNPFEDSA-N 1 2 333.461 2.046 20 30 EEEDLO N#CCCCN1CC[C@]2(CCC[N@@H+](Cc3csnn3)CC2)C1=O ZINC001272780199 1193495597 /nfs/dbraw/zinc/49/55/97/1193495597.db2.gz BLZZJKBOQZDMQN-MRXNPFEDSA-N 1 2 333.461 2.046 20 30 EEEDLO CCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001212052793 1187641935 /nfs/dbraw/zinc/64/19/35/1187641935.db2.gz DLWPWOLOCRBHDO-FSPWUOQZSA-N 1 2 347.434 2.449 20 30 EEEDLO CCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001212052793 1187641937 /nfs/dbraw/zinc/64/19/37/1187641937.db2.gz DLWPWOLOCRBHDO-FSPWUOQZSA-N 1 2 347.434 2.449 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3n[nH]c4c3CCCC4)[C@@H]2C1 ZINC001075981348 1188464984 /nfs/dbraw/zinc/46/49/84/1188464984.db2.gz FTPJZBREANUHEG-SWLSCSKDSA-N 1 2 334.851 2.187 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3n[nH]c4c3CCCC4)[C@@H]2C1 ZINC001075981348 1188464986 /nfs/dbraw/zinc/46/49/86/1188464986.db2.gz FTPJZBREANUHEG-SWLSCSKDSA-N 1 2 334.851 2.187 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccn(CC)n3)[C@@H]2C)cc1 ZINC001088787151 1188510522 /nfs/dbraw/zinc/51/05/22/1188510522.db2.gz STPMYUNSWCRMIO-BEFAXECRSA-N 1 2 336.439 2.277 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(CC)n3)[C@@H]2C)cc1 ZINC001088787151 1188510524 /nfs/dbraw/zinc/51/05/24/1188510524.db2.gz STPMYUNSWCRMIO-BEFAXECRSA-N 1 2 336.439 2.277 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001076532319 1188972688 /nfs/dbraw/zinc/97/26/88/1188972688.db2.gz BMIVDVDMPRIPOJ-LSDHHAIUSA-N 1 2 334.464 2.448 20 30 EEEDLO CCOCCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)C1=O ZINC001272699240 1191739744 /nfs/dbraw/zinc/73/97/44/1191739744.db2.gz DMCRKRVJTBHZBP-LJQANCHMSA-N 1 2 345.418 2.301 20 30 EEEDLO CCOCCN1CC[C@]2(CCC[N@H+]2Cc2ccc(F)c(C#N)c2)C1=O ZINC001272699240 1191739745 /nfs/dbraw/zinc/73/97/45/1191739745.db2.gz DMCRKRVJTBHZBP-LJQANCHMSA-N 1 2 345.418 2.301 20 30 EEEDLO CSc1ccc(C[NH+]2CC3(C2)COCC(=O)N3CCCC#N)cc1 ZINC001272966144 1194275130 /nfs/dbraw/zinc/27/51/30/1194275130.db2.gz OBXLQOKFQWXKKN-UHFFFAOYSA-N 1 2 345.468 2.125 20 30 EEEDLO C=C(C)[C@@H]1CC=C(C[NH+]2CC3(C2)COCC(=O)N3[C@@H](C)C(C)=O)CC1 ZINC001273126122 1194409066 /nfs/dbraw/zinc/40/90/66/1194409066.db2.gz HSIKUWPMXHSPQA-MAUKXSAKSA-N 1 2 346.471 2.180 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001033489830 1194643778 /nfs/dbraw/zinc/64/37/78/1194643778.db2.gz BTIQKZVRHCKEOI-BQFCYCMXSA-N 1 2 347.459 2.305 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001033489830 1194643779 /nfs/dbraw/zinc/64/37/79/1194643779.db2.gz BTIQKZVRHCKEOI-BQFCYCMXSA-N 1 2 347.459 2.305 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](N(C)C(=O)C(C)(C)C)C2)c1 ZINC001033603055 1194941414 /nfs/dbraw/zinc/94/14/14/1194941414.db2.gz GUHWIWQLXAOWEX-KRWDZBQOSA-N 1 2 341.455 2.185 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](N(C)C(=O)C(C)(C)C)C2)c1 ZINC001033603055 1194941417 /nfs/dbraw/zinc/94/14/17/1194941417.db2.gz GUHWIWQLXAOWEX-KRWDZBQOSA-N 1 2 341.455 2.185 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]2C)CC1 ZINC001005241162 1194969132 /nfs/dbraw/zinc/96/91/32/1194969132.db2.gz FDPRTOLCBFTAHA-GDBMZVCRSA-N 1 2 344.459 2.052 20 30 EEEDLO C[C@H](CCCCNc1ccc(C#N)nc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001090169826 1195537387 /nfs/dbraw/zinc/53/73/87/1195537387.db2.gz WDHGQUJYKIPUBP-CQSZACIVSA-N 1 2 340.431 2.396 20 30 EEEDLO C[C@H](CCCCNc1ccc(C#N)nc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001090169826 1195537392 /nfs/dbraw/zinc/53/73/92/1195537392.db2.gz WDHGQUJYKIPUBP-CQSZACIVSA-N 1 2 340.431 2.396 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cc3ccccc3o2)C1 ZINC001108109677 1195646734 /nfs/dbraw/zinc/64/67/34/1195646734.db2.gz AFZAYSAHOVRLAW-LJQANCHMSA-N 1 2 328.412 2.368 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cc3ccccc3o2)C1 ZINC001108109677 1195646738 /nfs/dbraw/zinc/64/67/38/1195646738.db2.gz AFZAYSAHOVRLAW-LJQANCHMSA-N 1 2 328.412 2.368 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)c3cocn3)C2)c(F)c1 ZINC001034140807 1195815598 /nfs/dbraw/zinc/81/55/98/1195815598.db2.gz CSLCXBSKKWZJCJ-HNNXBMFYSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H](NC(=O)c3cocn3)C2)c(F)c1 ZINC001034140807 1195815601 /nfs/dbraw/zinc/81/56/01/1195815601.db2.gz CSLCXBSKKWZJCJ-HNNXBMFYSA-N 1 2 342.374 2.470 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)Cc2ccon2)C1 ZINC001034131499 1195829163 /nfs/dbraw/zinc/82/91/63/1195829163.db2.gz MZJUEUKJLFFSOW-CYBMUJFWSA-N 1 2 342.237 2.096 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)Cc2ccon2)C1 ZINC001034131499 1195829164 /nfs/dbraw/zinc/82/91/64/1195829164.db2.gz MZJUEUKJLFFSOW-CYBMUJFWSA-N 1 2 342.237 2.096 20 30 EEEDLO CC[C@H](F)C(=O)NC[C@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108124034 1196036572 /nfs/dbraw/zinc/03/65/72/1196036572.db2.gz CQSVIBWCHSHEAQ-FUHWJXTLSA-N 1 2 333.407 2.013 20 30 EEEDLO CC[C@H](F)C(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108124034 1196036574 /nfs/dbraw/zinc/03/65/74/1196036574.db2.gz CQSVIBWCHSHEAQ-FUHWJXTLSA-N 1 2 333.407 2.013 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](Cc3cc(C)on3)C2)cn1 ZINC001034499003 1196290720 /nfs/dbraw/zinc/29/07/20/1196290720.db2.gz QPPKZKHYSCTCTL-KRWDZBQOSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](Cc3cc(C)on3)C2)cn1 ZINC001034499003 1196290723 /nfs/dbraw/zinc/29/07/23/1196290723.db2.gz QPPKZKHYSCTCTL-KRWDZBQOSA-N 1 2 338.411 2.144 20 30 EEEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCCC[N@@H+](CC(=C)Cl)C1 ZINC001034503103 1196303082 /nfs/dbraw/zinc/30/30/82/1196303082.db2.gz WUFGBLPSBUWYDL-HNNXBMFYSA-N 1 2 347.846 2.430 20 30 EEEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCCC[N@H+](CC(=C)Cl)C1 ZINC001034503103 1196303088 /nfs/dbraw/zinc/30/30/88/1196303088.db2.gz WUFGBLPSBUWYDL-HNNXBMFYSA-N 1 2 347.846 2.430 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC001108136926 1196502599 /nfs/dbraw/zinc/50/25/99/1196502599.db2.gz GPCDJBJESIGSCU-KGLIPLIRSA-N 1 2 326.404 2.026 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001014800171 1224366249 /nfs/dbraw/zinc/36/62/49/1224366249.db2.gz GVNAKZNTFDFRNA-HFTRVMKXSA-N 1 2 345.418 2.203 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001014800171 1224366257 /nfs/dbraw/zinc/36/62/57/1224366257.db2.gz GVNAKZNTFDFRNA-HFTRVMKXSA-N 1 2 345.418 2.203 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3cccnc3Cl)C2)OCC1=O ZINC001273192088 1197440346 /nfs/dbraw/zinc/44/03/46/1197440346.db2.gz AUKARPQJJFQPGR-QGZVFWFLSA-N 1 2 335.835 2.114 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3cccnc3Cl)C2)OCC1=O ZINC001273192088 1197440350 /nfs/dbraw/zinc/44/03/50/1197440350.db2.gz AUKARPQJJFQPGR-QGZVFWFLSA-N 1 2 335.835 2.114 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1C1CCCCC1 ZINC001018166836 1224418628 /nfs/dbraw/zinc/41/86/28/1224418628.db2.gz XIIJCNXMRDDMCS-IYBDPMFKSA-N 1 2 326.444 2.379 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1C1CCCCC1 ZINC001018166836 1224418634 /nfs/dbraw/zinc/41/86/34/1224418634.db2.gz XIIJCNXMRDDMCS-IYBDPMFKSA-N 1 2 326.444 2.379 20 30 EEEDLO C[C@H]1C[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@@]2(CCOC2)O1 ZINC000794700973 1197822419 /nfs/dbraw/zinc/82/24/19/1197822419.db2.gz ISXUCJMBQBNWJW-HNAYVOBHSA-N 1 2 338.411 2.259 20 30 EEEDLO C[C@H]1C[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@@]2(CCOC2)O1 ZINC000794700973 1197822423 /nfs/dbraw/zinc/82/24/23/1197822423.db2.gz ISXUCJMBQBNWJW-HNAYVOBHSA-N 1 2 338.411 2.259 20 30 EEEDLO C=C[C@H]([NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C(=O)OC ZINC000871908109 1197966662 /nfs/dbraw/zinc/96/66/62/1197966662.db2.gz XGWBSSXNAMNWJK-IHRRRGAJSA-N 1 2 326.437 2.387 20 30 EEEDLO CC[C@H]1COCC[N@@H+]1CCNc1nc(C(F)(F)F)ccc1C#N ZINC000872771579 1198377762 /nfs/dbraw/zinc/37/77/62/1198377762.db2.gz IVGOZDGGKQTUHY-LBPRGKRZSA-N 1 2 328.338 2.495 20 30 EEEDLO CC[C@H]1COCC[N@H+]1CCNc1nc(C(F)(F)F)ccc1C#N ZINC000872771579 1198377767 /nfs/dbraw/zinc/37/77/67/1198377767.db2.gz IVGOZDGGKQTUHY-LBPRGKRZSA-N 1 2 328.338 2.495 20 30 EEEDLO C[C@@H](C[C@H](C)[NH2+]CC(F)(F)C(F)F)NC(=O)CSCC#N ZINC001133737210 1198997334 /nfs/dbraw/zinc/99/73/34/1198997334.db2.gz XBFZPUCMILENAC-IUCAKERBSA-N 1 2 329.363 2.016 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001132042071 1199227474 /nfs/dbraw/zinc/22/74/74/1199227474.db2.gz PLNFFHTVKKJYHQ-GDBMZVCRSA-N 1 2 349.862 2.244 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001132042071 1199227479 /nfs/dbraw/zinc/22/74/79/1199227479.db2.gz PLNFFHTVKKJYHQ-GDBMZVCRSA-N 1 2 349.862 2.244 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NCC(C)C)C1 ZINC001132057980 1199245112 /nfs/dbraw/zinc/24/51/12/1199245112.db2.gz VKUBZYQDKODNBF-WMZOPIPTSA-N 1 2 349.519 2.496 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCC(C)C)C1 ZINC001132057980 1199245116 /nfs/dbraw/zinc/24/51/16/1199245116.db2.gz VKUBZYQDKODNBF-WMZOPIPTSA-N 1 2 349.519 2.496 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cncc(OC)n2)C1 ZINC001132073627 1199265160 /nfs/dbraw/zinc/26/51/60/1199265160.db2.gz XFRJGLKZFAWOTD-HUUCEWRRSA-N 1 2 332.448 2.311 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cncc(OC)n2)C1 ZINC001132073627 1199265164 /nfs/dbraw/zinc/26/51/64/1199265164.db2.gz XFRJGLKZFAWOTD-HUUCEWRRSA-N 1 2 332.448 2.311 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cnnn2C)C1 ZINC001132076443 1199268218 /nfs/dbraw/zinc/26/82/18/1199268218.db2.gz AGPNJVATKBOYCO-DGCLKSJQSA-N 1 2 339.871 2.063 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cnnn2C)C1 ZINC001132076443 1199268224 /nfs/dbraw/zinc/26/82/24/1199268224.db2.gz AGPNJVATKBOYCO-DGCLKSJQSA-N 1 2 339.871 2.063 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3cnnn3C)C2)CCC1 ZINC001132281246 1199515633 /nfs/dbraw/zinc/51/56/33/1199515633.db2.gz AZKOUJVBMDKNQN-GJZGRUSLSA-N 1 2 331.464 2.031 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3cnnn3C)C2)CCC1 ZINC001132281246 1199515638 /nfs/dbraw/zinc/51/56/38/1199515638.db2.gz AZKOUJVBMDKNQN-GJZGRUSLSA-N 1 2 331.464 2.031 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2ccc(C)cc2F)CC[C@H]1C ZINC001132322795 1199590356 /nfs/dbraw/zinc/59/03/56/1199590356.db2.gz VIJYLCREBFIOJH-HUUCEWRRSA-N 1 2 347.434 2.019 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2ccc(C)cc2F)CC[C@H]1C ZINC001132322795 1199590361 /nfs/dbraw/zinc/59/03/61/1199590361.db2.gz VIJYLCREBFIOJH-HUUCEWRRSA-N 1 2 347.434 2.019 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(-c2ccccc2C)no1 ZINC001132395919 1199652405 /nfs/dbraw/zinc/65/24/05/1199652405.db2.gz ULYKTMCFYUTEIN-UHFFFAOYSA-N 1 2 328.416 2.463 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCc2nc(C)no2)CC[C@@H]1C ZINC001132488947 1199788758 /nfs/dbraw/zinc/78/87/58/1199788758.db2.gz DJVCWESZOZDDGC-JSGCOSHPSA-N 1 2 340.855 2.422 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCc2nc(C)no2)CC[C@@H]1C ZINC001132488947 1199788764 /nfs/dbraw/zinc/78/87/64/1199788764.db2.gz DJVCWESZOZDDGC-JSGCOSHPSA-N 1 2 340.855 2.422 20 30 EEEDLO CCC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)CC(=O)N(C)C ZINC000877986054 1200199157 /nfs/dbraw/zinc/19/91/57/1200199157.db2.gz KEPKFGTYMLAUSK-IBGZPJMESA-N 1 2 329.444 2.227 20 30 EEEDLO CCC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)CC(=O)N(C)C ZINC000877986054 1200199160 /nfs/dbraw/zinc/19/91/60/1200199160.db2.gz KEPKFGTYMLAUSK-IBGZPJMESA-N 1 2 329.444 2.227 20 30 EEEDLO C#C[C@H](CCC)NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000812039669 1200474007 /nfs/dbraw/zinc/47/40/07/1200474007.db2.gz SEQCPQVIBIPIQK-MOPGFXCFSA-N 1 2 343.471 2.031 20 30 EEEDLO COc1cccc(C[NH+]2CCN(C(=O)C3(C#N)CCCC3)CC2)c1 ZINC000870154940 1200518785 /nfs/dbraw/zinc/51/87/85/1200518785.db2.gz JRPWESGMOWUROU-UHFFFAOYSA-N 1 2 327.428 2.423 20 30 EEEDLO CC(=[NH+]Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(N)cc1 ZINC000812232089 1200570425 /nfs/dbraw/zinc/57/04/25/1200570425.db2.gz RDJLPWPWCUQCLJ-UHFFFAOYSA-N 1 2 332.429 2.355 20 30 EEEDLO C[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1CNCC#N ZINC001133222162 1200603127 /nfs/dbraw/zinc/60/31/27/1200603127.db2.gz LGYRPNVKUOJAER-RDJZCZTQSA-N 1 2 337.427 2.084 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+]Cc1nnc(Cc2ccccc2)o1 ZINC001133380202 1200820597 /nfs/dbraw/zinc/82/05/97/1200820597.db2.gz BCGCMXYLKLWZSA-LJQANCHMSA-N 1 2 342.443 2.469 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)N(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001018400520 1224677729 /nfs/dbraw/zinc/67/77/29/1224677729.db2.gz QKHKUDBRPQFZMK-CVEARBPZSA-N 1 2 344.459 2.125 20 30 EEEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C#N)n3C)CC2)cc1 ZINC000881618367 1201727408 /nfs/dbraw/zinc/72/74/08/1201727408.db2.gz IGQSLGQUAUHGKQ-UHFFFAOYSA-N 1 2 336.439 2.417 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC[N@H+](COCc3ccccc3)C2)OCC1=O ZINC001273981943 1202194011 /nfs/dbraw/zinc/19/40/11/1202194011.db2.gz MIQHQOQFEAFNSZ-IBGZPJMESA-N 1 2 330.428 2.040 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](COCc3ccccc3)C2)OCC1=O ZINC001273981943 1202194012 /nfs/dbraw/zinc/19/40/12/1202194012.db2.gz MIQHQOQFEAFNSZ-IBGZPJMESA-N 1 2 330.428 2.040 20 30 EEEDLO C[C@H](CN1CC2(C[NH+](CCCCC#N)C2)OCC1=O)c1ccccc1 ZINC001274042194 1204343175 /nfs/dbraw/zinc/34/31/75/1204343175.db2.gz COKZJYXWZIDGLQ-QGZVFWFLSA-N 1 2 341.455 2.397 20 30 EEEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cnc(F)cc1Cl)CC2 ZINC001274091164 1204365521 /nfs/dbraw/zinc/36/55/21/1204365521.db2.gz JQLGPLGKUCOGRT-CYBMUJFWSA-N 1 2 335.810 2.226 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@](C)(CNc2[nH+]cnc3c2cnn3C)C1 ZINC001110848888 1204919076 /nfs/dbraw/zinc/91/90/76/1204919076.db2.gz PZTRWZSBJCBSES-GOSISDBHSA-N 1 2 342.447 2.370 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1nc2cc(F)ccc2[nH]1 ZINC001274382213 1205014653 /nfs/dbraw/zinc/01/46/53/1205014653.db2.gz XXROQKDHIUTPTI-IBGZPJMESA-N 1 2 340.402 2.292 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1nc2cc(F)ccc2[nH]1 ZINC001274382213 1205014656 /nfs/dbraw/zinc/01/46/56/1205014656.db2.gz XXROQKDHIUTPTI-IBGZPJMESA-N 1 2 340.402 2.292 20 30 EEEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C1COC1 ZINC001274648537 1205115919 /nfs/dbraw/zinc/11/59/19/1205115919.db2.gz ZHFQQCHMYYCCCJ-IAGOWNOFSA-N 1 2 345.830 2.176 20 30 EEEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C1COC1 ZINC001274648537 1205115920 /nfs/dbraw/zinc/11/59/20/1205115920.db2.gz ZHFQQCHMYYCCCJ-IAGOWNOFSA-N 1 2 345.830 2.176 20 30 EEEDLO CC[C@@H](C)N1C[C@@]2(CC[N@H+](Cc3cc(F)ccc3C#N)C2)OCC1=O ZINC001274774716 1205159340 /nfs/dbraw/zinc/15/93/40/1205159340.db2.gz XEPROLSGKGCPPF-KUHUBIRLSA-N 1 2 345.418 2.299 20 30 EEEDLO CC[C@@H](C)N1C[C@@]2(CC[N@@H+](Cc3cc(F)ccc3C#N)C2)OCC1=O ZINC001274774716 1205159342 /nfs/dbraw/zinc/15/93/42/1205159342.db2.gz XEPROLSGKGCPPF-KUHUBIRLSA-N 1 2 345.418 2.299 20 30 EEEDLO N#Cc1cccc(Cl)c1CN1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001275005516 1205230803 /nfs/dbraw/zinc/23/08/03/1205230803.db2.gz DOHBIGGRMORWEF-UHFFFAOYSA-N 1 2 327.819 2.253 20 30 EEEDLO N#Cc1cccc(CN2C[C@]3(CC2=O)CCCC[N@@H+]3Cc2cc[nH]n2)c1 ZINC001275161097 1205270411 /nfs/dbraw/zinc/27/04/11/1205270411.db2.gz AJTGZIJLPZUIPZ-HXUWFJFHSA-N 1 2 349.438 2.439 20 30 EEEDLO N#Cc1cccc(CN2C[C@]3(CC2=O)CCCC[N@H+]3Cc2cc[nH]n2)c1 ZINC001275161097 1205270413 /nfs/dbraw/zinc/27/04/13/1205270413.db2.gz AJTGZIJLPZUIPZ-HXUWFJFHSA-N 1 2 349.438 2.439 20 30 EEEDLO Cc1ccncc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)n(C)c1 ZINC001275221820 1205284551 /nfs/dbraw/zinc/28/45/51/1205284551.db2.gz RSOQONYBOZRJGQ-CALCHBBNSA-N 1 2 349.438 2.089 20 30 EEEDLO Cc1ccncc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)n(C)c1 ZINC001275221820 1205284552 /nfs/dbraw/zinc/28/45/52/1205284552.db2.gz RSOQONYBOZRJGQ-CALCHBBNSA-N 1 2 349.438 2.089 20 30 EEEDLO N#C[C@H]1C[C@H]1C(=O)N1CCC2(C[NH+](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC001275548056 1205405673 /nfs/dbraw/zinc/40/56/73/1205405673.db2.gz 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C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCC ZINC001110936536 1206316625 /nfs/dbraw/zinc/31/66/25/1206316625.db2.gz SCWVRKIJLLLOLK-HZMVEIRTSA-N 1 2 335.492 2.227 20 30 EEEDLO Cc1nc(N2CCC[C@](C)(CNC(=O)c3c[nH]c(C#N)c3)C2)cc[nH+]1 ZINC001110937301 1206322458 /nfs/dbraw/zinc/32/24/58/1206322458.db2.gz RRWRIFZSXBQQGK-GOSISDBHSA-N 1 2 338.415 2.021 20 30 EEEDLO CN(C1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1)S(C)(=O)=O ZINC000929892955 1206514157 /nfs/dbraw/zinc/51/41/57/1206514157.db2.gz AKJPMUTXIIEELG-UHFFFAOYSA-N 1 2 341.864 2.067 20 30 EEEDLO C=C1CC(C)(C(=O)NCC2(Nc3cc[nH+]c(C)n3)CCOCC2)C1 ZINC001111002346 1206605304 /nfs/dbraw/zinc/60/53/04/1206605304.db2.gz GIADDLBLYPQUNF-UHFFFAOYSA-N 1 2 330.432 2.219 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C)CC1 ZINC001015268213 1225010749 /nfs/dbraw/zinc/01/07/49/1225010749.db2.gz YWJKJUKJLGGECF-WMLDXEAASA-N 1 2 344.459 2.194 20 30 EEEDLO C#Cc1cncc(C(=O)NCCCN(C)c2cc(C)[nH+]c(C3CC3)n2)c1 ZINC001095728076 1207726949 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2.095 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)[nH]3)[C@@H](C)C2)CC1 ZINC000947688735 1208673900 /nfs/dbraw/zinc/67/39/00/1208673900.db2.gz FBRHKHLFKSNUQR-BBRMVZONSA-N 1 2 331.464 2.329 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)[nH]3)[C@@H](C)C2)CC1 ZINC000947688735 1208673902 /nfs/dbraw/zinc/67/39/02/1208673902.db2.gz FBRHKHLFKSNUQR-BBRMVZONSA-N 1 2 331.464 2.329 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](CC)C1 ZINC000948497568 1209176186 /nfs/dbraw/zinc/17/61/86/1209176186.db2.gz GNBZZSCLMPXRIU-HUUCEWRRSA-N 1 2 346.475 2.298 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCc2c[nH]nc21 ZINC000948915826 1209450575 /nfs/dbraw/zinc/45/05/75/1209450575.db2.gz FXCWRIRWVMOYNL-OALUTQOASA-N 1 2 348.450 2.178 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCc2c[nH]nc21 ZINC000948915826 1209450576 /nfs/dbraw/zinc/45/05/76/1209450576.db2.gz FXCWRIRWVMOYNL-OALUTQOASA-N 1 2 348.450 2.178 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(OC)nc1 ZINC000948936355 1209462539 /nfs/dbraw/zinc/46/25/39/1209462539.db2.gz OOUQDDGWZLHHFG-SFHVURJKSA-N 1 2 335.407 2.053 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(OC)nc1 ZINC000948936355 1209462540 /nfs/dbraw/zinc/46/25/40/1209462540.db2.gz OOUQDDGWZLHHFG-SFHVURJKSA-N 1 2 335.407 2.053 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccccc3CC)CC2)C1 ZINC000949450862 1209692185 /nfs/dbraw/zinc/69/21/85/1209692185.db2.gz NJXPJJYBPJTAHV-UHFFFAOYSA-N 1 2 326.440 2.189 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccccc3CC)CC2)C1 ZINC000949450862 1209692187 /nfs/dbraw/zinc/69/21/87/1209692187.db2.gz NJXPJJYBPJTAHV-UHFFFAOYSA-N 1 2 326.440 2.189 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)C1 ZINC000949489906 1209711831 /nfs/dbraw/zinc/71/18/31/1209711831.db2.gz UVKXHCIEUMXBMR-MOPGFXCFSA-N 1 2 338.451 2.117 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)C1 ZINC000949489906 1209711832 /nfs/dbraw/zinc/71/18/32/1209711832.db2.gz UVKXHCIEUMXBMR-MOPGFXCFSA-N 1 2 338.451 2.117 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccoc3C(C)C)CC2)C1 ZINC000949531476 1209730719 /nfs/dbraw/zinc/73/07/19/1209730719.db2.gz JYWANOWSSSLPCW-UHFFFAOYSA-N 1 2 330.428 2.343 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccoc3C(C)C)CC2)C1 ZINC000949531476 1209730720 /nfs/dbraw/zinc/73/07/20/1209730720.db2.gz JYWANOWSSSLPCW-UHFFFAOYSA-N 1 2 330.428 2.343 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[NH+](C[C@@H](OC)c3ccccc3)CC2)c1 ZINC000950406718 1210193846 /nfs/dbraw/zinc/19/38/46/1210193846.db2.gz FGPWLHMLKQJOFU-HXUWFJFHSA-N 1 2 349.434 2.208 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C(F)(F)F)ncn2)C1 ZINC000950861459 1210470319 /nfs/dbraw/zinc/47/03/19/1210470319.db2.gz AVZFIYQVVAUQTG-UHFFFAOYSA-N 1 2 328.338 2.218 20 30 EEEDLO C=CCn1cc(C(=O)N2CC[NH+](Cc3ccc(C)c(C)c3)CC2)nn1 ZINC000951559932 1210885709 /nfs/dbraw/zinc/88/57/09/1210885709.db2.gz XLPCDOKSKVXOSW-UHFFFAOYSA-N 1 2 339.443 2.039 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnc(C)nc2)cc1 ZINC001095854269 1211517679 /nfs/dbraw/zinc/51/76/79/1211517679.db2.gz UAOPXKOFHCMTRA-AABGKKOBSA-N 1 2 346.434 2.302 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnc(C)nc2)cc1 ZINC001095854269 1211517680 /nfs/dbraw/zinc/51/76/80/1211517680.db2.gz UAOPXKOFHCMTRA-AABGKKOBSA-N 1 2 346.434 2.302 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000956135833 1213553847 /nfs/dbraw/zinc/55/38/47/1213553847.db2.gz KHGSGMPVCAVPAH-RRFJBIMHSA-N 1 2 344.459 2.223 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000956135833 1213553848 /nfs/dbraw/zinc/55/38/48/1213553848.db2.gz KHGSGMPVCAVPAH-RRFJBIMHSA-N 1 2 344.459 2.223 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C(C)(C)CC)C2)CC1 ZINC000956599183 1214122183 /nfs/dbraw/zinc/12/21/83/1214122183.db2.gz KVOQOBBVXKCXQS-MRXNPFEDSA-N 1 2 349.519 2.380 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCc2ncn(-c3ccccc3)n2)cc1 ZINC000092312527 1214418268 /nfs/dbraw/zinc/41/82/68/1214418268.db2.gz PRPAUSYHHBJVSE-UHFFFAOYSA-N 1 2 337.383 2.307 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccn(C(C)C)n3)C[C@H]21 ZINC001114718817 1215092210 /nfs/dbraw/zinc/09/22/10/1215092210.db2.gz VIILHRWRDPRMTB-DZFIZOCASA-N 1 2 328.460 2.204 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccn(C(C)C)n3)C[C@H]21 ZINC001114718817 1215092215 /nfs/dbraw/zinc/09/22/15/1215092215.db2.gz VIILHRWRDPRMTB-DZFIZOCASA-N 1 2 328.460 2.204 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncnn3C(C)(C)C)C[C@H]21 ZINC001114722817 1215115091 /nfs/dbraw/zinc/11/50/91/1215115091.db2.gz OKBQIAVSKMFXBO-AIANPOQGSA-N 1 2 345.491 2.182 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncnn3C(C)(C)C)C[C@H]21 ZINC001114722817 1215115093 /nfs/dbraw/zinc/11/50/93/1215115093.db2.gz OKBQIAVSKMFXBO-AIANPOQGSA-N 1 2 345.491 2.182 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001114757015 1215242527 /nfs/dbraw/zinc/24/25/27/1215242527.db2.gz DVVQOKNVXQKYDA-DZFIZOCASA-N 1 2 328.460 2.122 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001114757015 1215242529 /nfs/dbraw/zinc/24/25/29/1215242529.db2.gz DVVQOKNVXQKYDA-DZFIZOCASA-N 1 2 328.460 2.122 20 30 EEEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)C[C@H]3CCCOC3)CC2)c1 ZINC000957683271 1215341338 /nfs/dbraw/zinc/34/13/38/1215341338.db2.gz NTFOLSDNFCTAAE-GOSISDBHSA-N 1 2 327.428 2.019 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC(C)C)OC ZINC001114804083 1215370402 /nfs/dbraw/zinc/37/04/02/1215370402.db2.gz SERXVCQQAQSNIJ-RQJABVFESA-N 1 2 345.281 2.003 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC(C)C)OC ZINC001114804083 1215370404 /nfs/dbraw/zinc/37/04/04/1215370404.db2.gz SERXVCQQAQSNIJ-RQJABVFESA-N 1 2 345.281 2.003 20 30 EEEDLO O=C(N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21)c1ccc[nH]1 ZINC000958216319 1215613337 /nfs/dbraw/zinc/61/33/37/1215613337.db2.gz HJDSQHKSFGPQNT-HWWDLCQESA-N 1 2 339.826 2.380 20 30 EEEDLO O=C(N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21)c1ccc[nH]1 ZINC000958216319 1215613340 /nfs/dbraw/zinc/61/33/40/1215613340.db2.gz HJDSQHKSFGPQNT-HWWDLCQESA-N 1 2 339.826 2.380 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2c(F)cc(C)cc2F)C1 ZINC000958244603 1215627031 /nfs/dbraw/zinc/62/70/31/1215627031.db2.gz VAQJXKPPOFTSCX-RISCZKNCSA-N 1 2 344.789 2.048 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c(F)cc(C)cc2F)C1 ZINC000958244603 1215627036 /nfs/dbraw/zinc/62/70/36/1215627036.db2.gz VAQJXKPPOFTSCX-RISCZKNCSA-N 1 2 344.789 2.048 20 30 EEEDLO O=C(N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21)c1ccon1 ZINC000958325073 1215664040 /nfs/dbraw/zinc/66/40/40/1215664040.db2.gz TVLGJDGXGHIKJA-HALDLXJZSA-N 1 2 341.798 2.040 20 30 EEEDLO O=C(N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21)c1ccon1 ZINC000958325073 1215664042 /nfs/dbraw/zinc/66/40/42/1215664042.db2.gz TVLGJDGXGHIKJA-HALDLXJZSA-N 1 2 341.798 2.040 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2nccs2)nc1 ZINC000960970825 1216993759 /nfs/dbraw/zinc/99/37/59/1216993759.db2.gz BFGXZEZATIUBDE-HNNXBMFYSA-N 1 2 340.452 2.256 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2nccs2)nc1 ZINC000960970825 1216993765 /nfs/dbraw/zinc/99/37/65/1216993765.db2.gz BFGXZEZATIUBDE-HNNXBMFYSA-N 1 2 340.452 2.256 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3C3CC3)C2)c(F)c1 ZINC001015820666 1225710787 /nfs/dbraw/zinc/71/07/87/1225710787.db2.gz KONKRKRQFCUFDK-YESZJQIVSA-N 1 2 327.403 2.434 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3C3CC3)C2)c(F)c1 ZINC001015820666 1225710790 /nfs/dbraw/zinc/71/07/90/1225710790.db2.gz KONKRKRQFCUFDK-YESZJQIVSA-N 1 2 327.403 2.434 20 30 EEEDLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC000961503134 1217206237 /nfs/dbraw/zinc/20/62/37/1217206237.db2.gz FYHDTTXWPAQKET-KISBBLTOSA-N 1 2 328.843 2.394 20 30 EEEDLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC000961503134 1217206240 /nfs/dbraw/zinc/20/62/40/1217206240.db2.gz FYHDTTXWPAQKET-KISBBLTOSA-N 1 2 328.843 2.394 20 30 EEEDLO CC(=NNC(=S)NC[C@@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000254293791 1217310337 /nfs/dbraw/zinc/31/03/37/1217310337.db2.gz LBCSOFXWTOJBIC-INIZCTEOSA-N 1 2 343.456 2.239 20 30 EEEDLO CCn1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1C ZINC001015892105 1225795689 /nfs/dbraw/zinc/79/56/89/1225795689.db2.gz YFYYDXLZSLAFCW-KRWDZBQOSA-N 1 2 337.427 2.087 20 30 EEEDLO CCn1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1C ZINC001015892105 1225795692 /nfs/dbraw/zinc/79/56/92/1225795692.db2.gz YFYYDXLZSLAFCW-KRWDZBQOSA-N 1 2 337.427 2.087 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3ncccc3F)C2)ccc1F ZINC001015903752 1225809256 /nfs/dbraw/zinc/80/92/56/1225809256.db2.gz YUSCUCILYOAJDC-CQSZACIVSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)c3ncccc3F)C2)ccc1F ZINC001015903752 1225809261 /nfs/dbraw/zinc/80/92/61/1225809261.db2.gz YUSCUCILYOAJDC-CQSZACIVSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cnn(C(F)F)c2)C1 ZINC001015907811 1225813001 /nfs/dbraw/zinc/81/30/01/1225813001.db2.gz LZQQGCRHLJCUJC-OAHLLOKOSA-N 1 2 345.353 2.154 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C(F)F)c2)C1 ZINC001015907811 1225813007 /nfs/dbraw/zinc/81/30/07/1225813007.db2.gz LZQQGCRHLJCUJC-OAHLLOKOSA-N 1 2 345.353 2.154 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cnsn1 ZINC000965216986 1218965384 /nfs/dbraw/zinc/96/53/84/1218965384.db2.gz IVOSINWKJNYTST-IINYFYTJSA-N 1 2 347.469 2.112 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cnsn1 ZINC000965216986 1218965385 /nfs/dbraw/zinc/96/53/85/1218965385.db2.gz IVOSINWKJNYTST-IINYFYTJSA-N 1 2 347.469 2.112 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1NC(=O)c1ccon1 ZINC000965290433 1219008838 /nfs/dbraw/zinc/00/88/38/1219008838.db2.gz IVBVOQMQZZKKRQ-SJCJKPOMSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1NC(=O)c1ccon1 ZINC000965290433 1219008841 /nfs/dbraw/zinc/00/88/41/1219008841.db2.gz IVBVOQMQZZKKRQ-SJCJKPOMSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)c1ccn[nH]1 ZINC000965320143 1219022222 /nfs/dbraw/zinc/02/22/22/1219022222.db2.gz BKMPRPFEMJAXKH-SJCJKPOMSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)c1ccn[nH]1 ZINC000965320143 1219022225 /nfs/dbraw/zinc/02/22/25/1219022225.db2.gz BKMPRPFEMJAXKH-SJCJKPOMSA-N 1 2 341.390 2.061 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ncoc1C1CC1 ZINC001015945957 1225868324 /nfs/dbraw/zinc/86/83/24/1225868324.db2.gz PHWOORNSRMZASE-QGZVFWFLSA-N 1 2 335.407 2.408 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ncoc1C1CC1 ZINC001015945957 1225868330 /nfs/dbraw/zinc/86/83/30/1225868330.db2.gz PHWOORNSRMZASE-QGZVFWFLSA-N 1 2 335.407 2.408 20 30 EEEDLO Cc1csc(C[N@H+]2CC[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000965917046 1219355571 /nfs/dbraw/zinc/35/55/71/1219355571.db2.gz PBNPCJNKOXCFQS-IAQYHMDHSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1csc(C[N@@H+]2CC[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000965917046 1219355575 /nfs/dbraw/zinc/35/55/75/1219355575.db2.gz PBNPCJNKOXCFQS-IAQYHMDHSA-N 1 2 343.456 2.292 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC000966292929 1219651862 /nfs/dbraw/zinc/65/18/62/1219651862.db2.gz DOMKFKCCYZUWAW-BDJLRTHQSA-N 1 2 347.846 2.374 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC000966292929 1219651865 /nfs/dbraw/zinc/65/18/65/1219651865.db2.gz DOMKFKCCYZUWAW-BDJLRTHQSA-N 1 2 347.846 2.374 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3c([nH]2)CCOC3)C1 ZINC000966635326 1219908124 /nfs/dbraw/zinc/90/81/24/1219908124.db2.gz SELHHLAWDYOJSN-MEDUHNTESA-N 1 2 337.851 2.280 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3c([nH]2)CCOC3)C1 ZINC000966635326 1219908130 /nfs/dbraw/zinc/90/81/30/1219908130.db2.gz SELHHLAWDYOJSN-MEDUHNTESA-N 1 2 337.851 2.280 20 30 EEEDLO CCC1(Nc2cc[nH+]c(C)n2)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001066826836 1220456007 /nfs/dbraw/zinc/45/60/07/1220456007.db2.gz NBPHYPGXCMUTGY-UHFFFAOYSA-N 1 2 338.415 2.482 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)cn1 ZINC001016029250 1225973954 /nfs/dbraw/zinc/97/39/54/1225973954.db2.gz FEQNPIYFXONKQK-INIZCTEOSA-N 1 2 341.361 2.345 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(F)c3F)C2)cn1 ZINC001016029250 1225973957 /nfs/dbraw/zinc/97/39/57/1225973957.db2.gz FEQNPIYFXONKQK-INIZCTEOSA-N 1 2 341.361 2.345 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnn(CC3CC3)c2)C1 ZINC000968513027 1221368302 /nfs/dbraw/zinc/36/83/02/1221368302.db2.gz ITEDQKVWJHCXBI-LRDDRELGSA-N 1 2 336.867 2.486 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnn(CC3CC3)c2)C1 ZINC000968513027 1221368300 /nfs/dbraw/zinc/36/83/00/1221368300.db2.gz ITEDQKVWJHCXBI-LRDDRELGSA-N 1 2 336.867 2.486 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC000968655045 1221467181 /nfs/dbraw/zinc/46/71/81/1221467181.db2.gz JXGSPVLRZKTKLP-BZNIZROVSA-N 1 2 349.862 2.469 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC000968655045 1221467184 /nfs/dbraw/zinc/46/71/84/1221467184.db2.gz JXGSPVLRZKTKLP-BZNIZROVSA-N 1 2 349.862 2.469 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC000968656085 1221467946 /nfs/dbraw/zinc/46/79/46/1221467946.db2.gz WRLPEMIYVKQMNC-RHSMWYFYSA-N 1 2 328.460 2.142 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC000968656085 1221467948 /nfs/dbraw/zinc/46/79/48/1221467948.db2.gz WRLPEMIYVKQMNC-RHSMWYFYSA-N 1 2 328.460 2.142 20 30 EEEDLO 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1221739791 /nfs/dbraw/zinc/73/97/91/1221739791.db2.gz RUXPFFKMBPIBSE-GOSISDBHSA-N 1 2 345.491 2.422 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000969099271 1221806172 /nfs/dbraw/zinc/80/61/72/1221806172.db2.gz GJOCGXLMWIHANV-CWRNSKLLSA-N 1 2 344.459 2.002 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000969099271 1221806182 /nfs/dbraw/zinc/80/61/82/1221806182.db2.gz GJOCGXLMWIHANV-CWRNSKLLSA-N 1 2 344.459 2.002 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)c3ccccn3)C2)c1 ZINC001006572130 1221841371 /nfs/dbraw/zinc/84/13/71/1221841371.db2.gz NQRMVUBLLFYWGQ-INIZCTEOSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)c3ccccn3)C2)c1 ZINC001006572130 1221841373 /nfs/dbraw/zinc/84/13/73/1221841373.db2.gz NQRMVUBLLFYWGQ-INIZCTEOSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)c3ccncc3)C2)c1 ZINC001006573572 1221842393 /nfs/dbraw/zinc/84/23/93/1221842393.db2.gz 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C[C@@H]1CC[C@H](CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])O1 ZINC000840705360 1315400488 /nfs/dbraw/zinc/40/04/88/1315400488.db2.gz VDIRHYOMAYZSIL-CHWSQXEVSA-N 1 2 340.427 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C2(c3ccccn3)CC2)C1 ZINC001149721832 1316025173 /nfs/dbraw/zinc/02/51/73/1316025173.db2.gz SHOKRYKBXOHUFH-HNNXBMFYSA-N 1 2 349.862 2.073 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C2(c3ccccn3)CC2)C1 ZINC001149721832 1316025177 /nfs/dbraw/zinc/02/51/77/1316025177.db2.gz SHOKRYKBXOHUFH-HNNXBMFYSA-N 1 2 349.862 2.073 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccns2)CCCO1 ZINC001150080245 1316148005 /nfs/dbraw/zinc/14/80/05/1316148005.db2.gz ZDKWSXXASWHZNE-CQSZACIVSA-N 1 2 337.489 2.453 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccns2)CCCO1 ZINC001150080245 1316148006 /nfs/dbraw/zinc/14/80/06/1316148006.db2.gz ZDKWSXXASWHZNE-CQSZACIVSA-N 1 2 337.489 2.453 20 30 EEEDLO CC[N@H+](Cc1cn(C(C)(C)C)nn1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207676 1316791247 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EEEDLO C=CCCCCCC[C@H](O)C[N@@H+]1Cc2nnn(C)c2[C@@H](COC)C1 ZINC001253237482 1317805467 /nfs/dbraw/zinc/80/54/67/1317805467.db2.gz ZKRSHBOBNSWJEZ-CVEARBPZSA-N 1 2 336.480 2.248 20 30 EEEDLO C=CCCCCCC[C@H](O)C[N@H+]1Cc2nnn(C)c2[C@@H](COC)C1 ZINC001253237482 1317805481 /nfs/dbraw/zinc/80/54/81/1317805481.db2.gz ZKRSHBOBNSWJEZ-CVEARBPZSA-N 1 2 336.480 2.248 20 30 EEEDLO C=CCOC[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)Cc2nnn(CC3CC3)c21 ZINC001254662793 1318159655 /nfs/dbraw/zinc/15/96/55/1318159655.db2.gz LBXRQDWIOHCRPO-YESZJQIVSA-N 1 2 341.459 2.482 20 30 EEEDLO C=CCOC[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)Cc2nnn(CC3CC3)c21 ZINC001254662793 1318159659 /nfs/dbraw/zinc/15/96/59/1318159659.db2.gz LBXRQDWIOHCRPO-YESZJQIVSA-N 1 2 341.459 2.482 20 30 EEEDLO CC[C@H](CC#N)[N@@H+]1CC[C@]2(C1)COCc1c(C)nc(N(C)C)nc12 ZINC001255169546 1318308942 /nfs/dbraw/zinc/30/89/42/1318308942.db2.gz GWZJESYDAPSFAP-KDOFPFPSSA-N 1 2 329.448 2.017 20 30 EEEDLO CC[C@H](CC#N)[N@H+]1CC[C@]2(C1)COCc1c(C)nc(N(C)C)nc12 ZINC001255169546 1318308947 /nfs/dbraw/zinc/30/89/47/1318308947.db2.gz GWZJESYDAPSFAP-KDOFPFPSSA-N 1 2 329.448 2.017 20 30 EEEDLO CC[C@H](CC#N)[N@@H+]1CC[C@H](Oc2ncc(Br)cn2)C1 ZINC001255172428 1318311347 /nfs/dbraw/zinc/31/13/47/1318311347.db2.gz AGRJNVVFPKAVAV-NEPJUHHUSA-N 1 2 325.210 2.384 20 30 EEEDLO CC[C@H](CC#N)[N@H+]1CC[C@H](Oc2ncc(Br)cn2)C1 ZINC001255172428 1318311353 /nfs/dbraw/zinc/31/13/53/1318311353.db2.gz AGRJNVVFPKAVAV-NEPJUHHUSA-N 1 2 325.210 2.384 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nccn1C(F)F ZINC001157213592 1318491312 /nfs/dbraw/zinc/49/13/12/1318491312.db2.gz NRZLDVKFHRITOI-CHWSQXEVSA-N 1 2 344.406 2.196 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccn1C(F)F ZINC001157213592 1318491319 /nfs/dbraw/zinc/49/13/19/1318491319.db2.gz NRZLDVKFHRITOI-CHWSQXEVSA-N 1 2 344.406 2.196 20 30 EEEDLO Cc1nnc([C@@H](C)[N@H+]2CC=C(CCNC(=O)C#CC(C)(C)C)CC2)[nH]1 ZINC001160083942 1320066481 /nfs/dbraw/zinc/06/64/81/1320066481.db2.gz AOIQUHBJXHFLFY-CQSZACIVSA-N 1 2 343.475 2.362 20 30 EEEDLO Cc1nnc([C@@H](C)[N@@H+]2CC=C(CCNC(=O)C#CC(C)(C)C)CC2)[nH]1 ZINC001160083942 1320066484 /nfs/dbraw/zinc/06/64/84/1320066484.db2.gz AOIQUHBJXHFLFY-CQSZACIVSA-N 1 2 343.475 2.362 20 30 EEEDLO C=C(C)C[N@H+]1CC=C(CCNC(=O)c2cncc3nc[nH]c32)CC1 ZINC001160190152 1320094003 /nfs/dbraw/zinc/09/40/03/1320094003.db2.gz TWFMRMQEWFKOBO-UHFFFAOYSA-N 1 2 325.416 2.286 20 30 EEEDLO C=C(C)C[N@@H+]1CC=C(CCNC(=O)c2cncc3nc[nH]c32)CC1 ZINC001160190152 1320094007 /nfs/dbraw/zinc/09/40/07/1320094007.db2.gz TWFMRMQEWFKOBO-UHFFFAOYSA-N 1 2 325.416 2.286 20 30 EEEDLO C=CCOc1ccc(C(=O)NCCC[NH2+]Cc2noc(CC)n2)cc1 ZINC001161154936 1320402517 /nfs/dbraw/zinc/40/25/17/1320402517.db2.gz CJPROTWOZRRFLU-UHFFFAOYSA-N 1 2 344.415 2.107 20 30 EEEDLO CC#CC[N@H+]1CC=C(CCNC(=O)c2[nH]nc3c2CCCCC3)CC1 ZINC001161879474 1320658923 /nfs/dbraw/zinc/65/89/23/1320658923.db2.gz MUJQTTSEXLHDGV-UHFFFAOYSA-N 1 2 340.471 2.454 20 30 EEEDLO CC#CC[N@@H+]1CC=C(CCNC(=O)c2[nH]nc3c2CCCCC3)CC1 ZINC001161879474 1320658929 /nfs/dbraw/zinc/65/89/29/1320658929.db2.gz MUJQTTSEXLHDGV-UHFFFAOYSA-N 1 2 340.471 2.454 20 30 EEEDLO C=CC(C)(C)C(=O)N(CC[NH2+]Cc1cnon1)CCc1ccccc1 ZINC001162879865 1320981584 /nfs/dbraw/zinc/98/15/84/1320981584.db2.gz KEQVGDBPRGOILH-UHFFFAOYSA-N 1 2 342.443 2.443 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NCCC[NH2+]Cc1nnsc1Cl ZINC001163345205 1321102579 /nfs/dbraw/zinc/10/25/79/1321102579.db2.gz SRZMNDIPWWPVSM-AWEZNQCLSA-N 1 2 346.884 2.016 20 30 EEEDLO N#CCc1cc[nH+]c(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1 ZINC001166764761 1321783950 /nfs/dbraw/zinc/78/39/50/1321783950.db2.gz ZVDPLAJPXZKMJR-UHFFFAOYSA-N 1 2 348.332 2.283 20 30 EEEDLO N#Cc1ccccc1CN1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001204370669 1322132066 /nfs/dbraw/zinc/13/20/66/1322132066.db2.gz HWRANLSQHMDLIU-UHFFFAOYSA-N 1 2 332.411 2.058 20 30 EEEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cccc(C(=O)OC)c2)CC1 ZINC001204679152 1322208419 /nfs/dbraw/zinc/20/84/19/1322208419.db2.gz HQLBRSVCTOGBHN-UHFFFAOYSA-N 1 2 330.384 2.142 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCc2ccsc2C1 ZINC001262990552 1322417591 /nfs/dbraw/zinc/41/75/91/1322417591.db2.gz GZBAKJPXOMFVCN-UHFFFAOYSA-N 1 2 340.456 2.413 20 30 EEEDLO CC#CCN1CC[NH+](CCNC(=O)[C@H](C)CC2CCCCC2)CC1 ZINC001265264545 1323019894 /nfs/dbraw/zinc/01/98/94/1323019894.db2.gz UJRINNQZQKUHNK-GOSISDBHSA-N 1 2 333.520 2.350 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC001265286334 1323037324 /nfs/dbraw/zinc/03/73/24/1323037324.db2.gz SQUGDPXZTIRGHG-HNNXBMFYSA-N 1 2 345.443 2.124 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC001265286334 1323037330 /nfs/dbraw/zinc/03/73/30/1323037330.db2.gz SQUGDPXZTIRGHG-HNNXBMFYSA-N 1 2 345.443 2.124 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2nc(-c3ccco3)no2)C[C@H]1C ZINC001206490308 1323511087 /nfs/dbraw/zinc/51/10/87/1323511087.db2.gz KOGVZZNYMJOPMQ-CHWSQXEVSA-N 1 2 330.388 2.232 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2nc(-c3ccco3)no2)C[C@H]1C ZINC001206490308 1323511092 /nfs/dbraw/zinc/51/10/92/1323511092.db2.gz KOGVZZNYMJOPMQ-CHWSQXEVSA-N 1 2 330.388 2.232 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(-c3ccco3)on2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206948364 1323734260 /nfs/dbraw/zinc/73/42/60/1323734260.db2.gz HEUWFDLOVFSHAR-CZUORRHYSA-N 1 2 339.395 2.285 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(-c3ccco3)on2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206948364 1323734266 /nfs/dbraw/zinc/73/42/66/1323734266.db2.gz HEUWFDLOVFSHAR-CZUORRHYSA-N 1 2 339.395 2.285 20 30 EEEDLO C#CCCCC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nc(C3CC3)no2)C1 ZINC001207909603 1324206242 /nfs/dbraw/zinc/20/62/42/1324206242.db2.gz UWJZJAQCZULVGK-UKRRQHHQSA-N 1 2 330.432 2.392 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CCC[C@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001208011266 1324263558 /nfs/dbraw/zinc/26/35/58/1324263558.db2.gz ZELUXZAABHOYTQ-AWEZNQCLSA-N 1 2 346.475 2.497 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)NC(C)(C)C ZINC001316605171 1324372288 /nfs/dbraw/zinc/37/22/88/1324372288.db2.gz WQMIVCDMQNZILI-HUUCEWRRSA-N 1 2 337.508 2.425 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC(C)(C)C ZINC001316605171 1324372295 /nfs/dbraw/zinc/37/22/95/1324372295.db2.gz WQMIVCDMQNZILI-HUUCEWRRSA-N 1 2 337.508 2.425 20 30 EEEDLO C#CC[N@@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)CC1CC1 ZINC001319551140 1332720104 /nfs/dbraw/zinc/72/01/04/1332720104.db2.gz GTRKOOOSKGBCFF-UHFFFAOYSA-N 1 2 327.384 2.198 20 30 EEEDLO C#CC[N@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)CC1CC1 ZINC001319551140 1332720105 /nfs/dbraw/zinc/72/01/05/1332720105.db2.gz GTRKOOOSKGBCFF-UHFFFAOYSA-N 1 2 327.384 2.198 20 30 EEEDLO C=C[C@@H](COC)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC001321242512 1333053040 /nfs/dbraw/zinc/05/30/40/1333053040.db2.gz BPVYZVVZBZHELT-ZBFHGGJFSA-N 1 2 333.432 2.402 20 30 EEEDLO C=CC[C@@H]([NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1)C(=O)OCC ZINC001327869477 1334357851 /nfs/dbraw/zinc/35/78/51/1334357851.db2.gz WOULUBKHFZHUCG-TZMCWYRMSA-N 1 2 326.437 2.339 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001338840963 1336917867 /nfs/dbraw/zinc/91/78/67/1336917867.db2.gz FTEASOYSSDTYRV-TWMKSMIVSA-N 1 2 345.491 2.482 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001338840963 1336917868 /nfs/dbraw/zinc/91/78/68/1336917868.db2.gz FTEASOYSSDTYRV-TWMKSMIVSA-N 1 2 345.491 2.482 20 30 EEEDLO C#CCN(CC)c1nnc([C@H]2CCC[N@@H+]2C)n1C[C@H]1CCCCO1 ZINC001344256978 1337386289 /nfs/dbraw/zinc/38/62/89/1337386289.db2.gz NSDBHKOEOMUCPM-HZPDHXFCSA-N 1 2 331.464 2.073 20 30 EEEDLO C#CCN(CC)c1nnc([C@H]2CCC[N@H+]2C)n1C[C@H]1CCCCO1 ZINC001344256978 1337386293 /nfs/dbraw/zinc/38/62/93/1337386293.db2.gz NSDBHKOEOMUCPM-HZPDHXFCSA-N 1 2 331.464 2.073 20 30 EEEDLO N#Cc1cccc(C[NH2+]C2CC(CNC(=O)C(F)C(F)(F)F)C2)c1 ZINC001100348709 1338293199 /nfs/dbraw/zinc/29/31/99/1338293199.db2.gz BOAWZFVPKBPZMO-JXQTWKCFSA-N 1 2 343.324 2.443 20 30 EEEDLO N#Cc1cccc(C[NH2+]C2CC(CNC(=O)[C@@H](F)C(F)(F)F)C2)c1 ZINC001100348709 1338293205 /nfs/dbraw/zinc/29/32/05/1338293205.db2.gz BOAWZFVPKBPZMO-JXQTWKCFSA-N 1 2 343.324 2.443 20 30 EEEDLO C#Cc1ccc(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)nc1 ZINC001354109334 1338424751 /nfs/dbraw/zinc/42/47/51/1338424751.db2.gz OFAZZYDTBVETCI-UHFFFAOYSA-N 1 2 340.471 2.199 20 30 EEEDLO CCN(CCNC(=O)c1cccc2[nH+]ccn21)c1ccc(C#N)c(C)n1 ZINC001100666028 1338616056 /nfs/dbraw/zinc/61/60/56/1338616056.db2.gz AXBOEYJMJOXTAM-UHFFFAOYSA-N 1 2 348.410 2.166 20 30 EEEDLO C#CC[C@@H](CC)c1nnc(N2CC[NH+](CC#C)CC2)n1CC(=C)C ZINC001355926425 1338769776 /nfs/dbraw/zinc/76/97/76/1338769776.db2.gz IUTYGEQDISWMMZ-QGZVFWFLSA-N 1 2 325.460 2.126 20 30 EEEDLO C[C@@H]([NH2+][C@H]1Cc2ccc(-c3nn[nH]n3)cc2C1)c1cccc(C#N)c1O ZINC001589953481 1349077435 /nfs/dbraw/zinc/07/74/35/1349077435.db2.gz FPKYNIMQOAFATD-BZNIZROVSA-N 1 2 346.394 2.262 20 30 EEEDLO CCn1c[nH+]cc1C=CC(=O)c1c(C)n2c(c1-c1nn[nH]n1)CCC2 ZINC001590964369 1349424734 /nfs/dbraw/zinc/42/47/34/1349424734.db2.gz WMRRSMDPVMFRSO-VOTSOKGWSA-N 1 2 337.387 2.035 20 30 EEEDLO CSc1ccc(C[NH2+]Cc2nc(-c3nn[nH]n3)cs2)cc1C#N ZINC001605387169 1351151191 /nfs/dbraw/zinc/15/11/91/1351151191.db2.gz CZWFTBWNWXKARS-UHFFFAOYSA-N 1 2 343.441 2.207 20 30 EEEDLO N#C[C@@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2CC2CC2)C1 ZINC001646923424 1353049686 /nfs/dbraw/zinc/04/96/86/1353049686.db2.gz YSNKQLVGGLIWAJ-INIZCTEOSA-N 1 2 328.464 2.414 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)C(C)(CC)CC)C2)nn1 ZINC001186029616 1368179971 /nfs/dbraw/zinc/17/99/71/1368179971.db2.gz PMQFTJUJXAPODC-KRWDZBQOSA-N 1 2 345.491 2.381 20 30 EEEDLO C=CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001187320446 1368238221 /nfs/dbraw/zinc/23/82/21/1368238221.db2.gz UHYXIGFEMPHVOX-GOEBONIOSA-N 1 2 349.500 2.331 20 30 EEEDLO C=CCOCC(=O)N1CC[C@H]2C[N@H+](Cc3csc(CCC)n3)C[C@H]21 ZINC001187320446 1368238235 /nfs/dbraw/zinc/23/82/35/1368238235.db2.gz UHYXIGFEMPHVOX-GOEBONIOSA-N 1 2 349.500 2.331 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nc4c(o3)CCCC4)C[C@H]21 ZINC001187707077 1368259320 /nfs/dbraw/zinc/25/93/20/1368259320.db2.gz XSSIQGZUGRYEMK-DOTOQJQBSA-N 1 2 341.455 2.390 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc4c(o3)CCCC4)C[C@H]21 ZINC001187707077 1368259326 /nfs/dbraw/zinc/25/93/26/1368259326.db2.gz XSSIQGZUGRYEMK-DOTOQJQBSA-N 1 2 341.455 2.390 20 30 EEEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cnc(OC)c(F)c1 ZINC001273664666 1368472395 /nfs/dbraw/zinc/47/23/95/1368472395.db2.gz QIIBYPLBMNLLHY-GOSISDBHSA-N 1 2 333.407 2.372 20 30 EEEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cnc(OC)c(F)c1 ZINC001273664666 1368472399 /nfs/dbraw/zinc/47/23/99/1368472399.db2.gz QIIBYPLBMNLLHY-GOSISDBHSA-N 1 2 333.407 2.372 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H]1COCCN1c1cc(CC)[nH+]c(C)n1 ZINC001111704822 1371221927 /nfs/dbraw/zinc/22/19/27/1371221927.db2.gz GLUFVWPRSSQSAM-MRXNPFEDSA-N 1 2 332.448 2.025 20 30 EEEDLO C=C(C)CCC(=O)NCC1(Nc2[nH+]cnc3c2cnn3C)CCC1 ZINC001111853658 1371274807 /nfs/dbraw/zinc/27/48/07/1371274807.db2.gz LHWOICNWSLQZQV-UHFFFAOYSA-N 1 2 328.420 2.170 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)C1CCC1 ZINC001121493135 1371888616 /nfs/dbraw/zinc/88/86/16/1371888616.db2.gz VJOVNNLMIZDYHZ-JKSUJKDBSA-N 1 2 331.464 2.379 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)C1CCC1 ZINC001121493135 1371888620 /nfs/dbraw/zinc/88/86/20/1371888620.db2.gz VJOVNNLMIZDYHZ-JKSUJKDBSA-N 1 2 331.464 2.379 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H](CO)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001122097624 1371945604 /nfs/dbraw/zinc/94/56/04/1371945604.db2.gz BWEBGLYYVBWKFK-CQSZACIVSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CCONC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000838711763 1372860035 /nfs/dbraw/zinc/86/00/35/1372860035.db2.gz VDGHPBSYDRQILJ-HNNXBMFYSA-N 1 2 333.432 2.419 20 30 EEEDLO C=CCONC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000838711763 1372860038 /nfs/dbraw/zinc/86/00/38/1372860038.db2.gz VDGHPBSYDRQILJ-HNNXBMFYSA-N 1 2 333.432 2.419 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCO[C@@H](CC)C1 ZINC001342341639 1372946540 /nfs/dbraw/zinc/94/65/40/1372946540.db2.gz NZCXHPNTXXRIHZ-INIZCTEOSA-N 1 2 333.480 2.455 20 30 EEEDLO C=CC1CCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2CCOC)CC1 ZINC001355086431 1373146773 /nfs/dbraw/zinc/14/67/73/1373146773.db2.gz HAJKFLUIKNJZQH-MRXNPFEDSA-N 1 2 333.480 2.484 20 30 EEEDLO C=CC1CCN(c2nnc([C@H]3CCCC[N@H+]3C)n2CCOC)CC1 ZINC001355086431 1373146777 /nfs/dbraw/zinc/14/67/77/1373146777.db2.gz HAJKFLUIKNJZQH-MRXNPFEDSA-N 1 2 333.480 2.484 20 30 EEEDLO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc(C#N)c2)n[nH]1 ZINC001365222857 1373684049 /nfs/dbraw/zinc/68/40/49/1373684049.db2.gz XPHAOHTXXNEXKF-NSHDSACASA-N 1 2 326.404 2.449 20 30 EEEDLO C[C@H](C#N)C(=O)NCC[N@H+](C)[C@H](C)c1nc(-c2cccs2)no1 ZINC001366522491 1373935779 /nfs/dbraw/zinc/93/57/79/1373935779.db2.gz YQMHVWPRDIUKEE-GHMZBOCLSA-N 1 2 333.417 2.067 20 30 EEEDLO C[C@H](C#N)C(=O)NCC[N@@H+](C)[C@H](C)c1nc(-c2cccs2)no1 ZINC001366522491 1373935783 /nfs/dbraw/zinc/93/57/83/1373935783.db2.gz YQMHVWPRDIUKEE-GHMZBOCLSA-N 1 2 333.417 2.067 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn(CCC(C)C)nn1 ZINC001381582753 1381669893 /nfs/dbraw/zinc/66/98/93/1381669893.db2.gz MPCOZNVYGPUIDW-ZDUSSCGKSA-N 1 2 327.860 2.127 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cn(CCC(C)C)nn1 ZINC001381582753 1381669898 /nfs/dbraw/zinc/66/98/98/1381669898.db2.gz MPCOZNVYGPUIDW-ZDUSSCGKSA-N 1 2 327.860 2.127 20 30 EEEDLO C=CCCC(=O)NCC[NH+]1CCN(Cc2cccc(F)c2F)CC1 ZINC001752364112 1406286169 /nfs/dbraw/zinc/28/61/69/1406286169.db2.gz YDMMYDIODCUJPL-UHFFFAOYSA-N 1 2 337.414 2.165 20 30 EEEDLO CO[C@H](C(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1)C1CC1 ZINC001391155635 1389081795 /nfs/dbraw/zinc/08/17/95/1389081795.db2.gz FPXIVRMPROXQGH-SFHVURJKSA-N 1 2 345.418 2.203 20 30 EEEDLO CO[C@H](C(=O)NCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1)C1CC1 ZINC001391155635 1389081800 /nfs/dbraw/zinc/08/18/00/1389081800.db2.gz FPXIVRMPROXQGH-SFHVURJKSA-N 1 2 345.418 2.203 20 30 EEEDLO 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/nfs/dbraw/zinc/54/26/65/783542665.db2.gz XURSWGCVLRXXAF-IBGZPJMESA-N 1 2 329.444 2.274 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C)nc2C2CC2)C1 ZINC001108104114 783542670 /nfs/dbraw/zinc/54/26/70/783542670.db2.gz XURSWGCVLRXXAF-IBGZPJMESA-N 1 2 329.444 2.274 20 30 EEEDLO N#CCN1CCC2(C1)CCN(C(=O)c1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001035209064 784122614 /nfs/dbraw/zinc/12/26/14/784122614.db2.gz KKINUIIPBHWMBQ-UHFFFAOYSA-N 1 2 349.438 2.324 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc3ccccc3s2)C1 ZINC001035430486 784512095 /nfs/dbraw/zinc/51/20/95/784512095.db2.gz DZSNZIKRXNBCOV-OAHLLOKOSA-N 1 2 328.437 2.355 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc3ccccc3s2)C1 ZINC001035430486 784512098 /nfs/dbraw/zinc/51/20/98/784512098.db2.gz DZSNZIKRXNBCOV-OAHLLOKOSA-N 1 2 328.437 2.355 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccnc3ccccc32)C1 ZINC001035435028 784521808 /nfs/dbraw/zinc/52/18/08/784521808.db2.gz LSYWPICRJJAPEI-HNNXBMFYSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccnc3ccccc32)C1 ZINC001035435028 784521816 /nfs/dbraw/zinc/52/18/16/784521816.db2.gz LSYWPICRJJAPEI-HNNXBMFYSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCOc3c(F)cccc32)C1 ZINC001035439007 784527879 /nfs/dbraw/zinc/52/78/79/784527879.db2.gz UZXOIBIEEBYELM-ZBFHGGJFSA-N 1 2 348.418 2.085 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCOc3c(F)cccc32)C1 ZINC001035439007 784527883 /nfs/dbraw/zinc/52/78/83/784527883.db2.gz UZXOIBIEEBYELM-ZBFHGGJFSA-N 1 2 348.418 2.085 20 30 EEEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCNC(=O)[C@H]2CC2CCCCC2)cc1 ZINC000817299354 784664802 /nfs/dbraw/zinc/66/48/02/784664802.db2.gz YMXJUEDYWJPJBE-RTBURBONSA-N 1 2 341.455 2.362 20 30 EEEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCNC(=O)[C@H]2CC2CCCCC2)cc1 ZINC000817299354 784664809 /nfs/dbraw/zinc/66/48/09/784664809.db2.gz YMXJUEDYWJPJBE-RTBURBONSA-N 1 2 341.455 2.362 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2csc3c2CC[C@H](C)C3)C1 ZINC001035598418 784754738 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C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccnc3ccnn31)CC2 ZINC001035720251 785014637 /nfs/dbraw/zinc/01/46/37/785014637.db2.gz LBIIBYPPGIGXGH-UHFFFAOYSA-N 1 2 345.834 2.020 20 30 EEEDLO CN(C)c1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1C(F)(F)F ZINC000819492269 785566489 /nfs/dbraw/zinc/56/64/89/785566489.db2.gz ADBPJAPSBBNQLZ-ZDUSSCGKSA-N 1 2 344.381 2.390 20 30 EEEDLO CN(C)c1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1C(F)(F)F ZINC000819492269 785566492 /nfs/dbraw/zinc/56/64/92/785566492.db2.gz ADBPJAPSBBNQLZ-ZDUSSCGKSA-N 1 2 344.381 2.390 20 30 EEEDLO C=CCC1(C(=O)NCc2cn(C3C[NH+](CC(=C)C)C3)nn2)CCC1 ZINC001107205289 786397146 /nfs/dbraw/zinc/39/71/46/786397146.db2.gz RTUANEGOFVCHPJ-UHFFFAOYSA-N 1 2 329.448 2.074 20 30 EEEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@@H](CC)C(C)(C)C)nn2)C1 ZINC001107229673 786564089 /nfs/dbraw/zinc/56/40/89/786564089.db2.gz NVULHPNAJQCOLC-OAHLLOKOSA-N 1 2 345.491 2.237 20 30 EEEDLO CCCc1nc(C[NH2+]C[C@H]2[C@@H](C)CCCN2C(=O)C#CC2CC2)no1 ZINC001036549841 786645102 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787971007 /nfs/dbraw/zinc/97/10/07/787971007.db2.gz PTCPCOYFTRHLLA-GXTWGEPZSA-N 1 2 349.818 2.054 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3nc(C)ccc3o2)[C@H](O)C1 ZINC001090737499 787971011 /nfs/dbraw/zinc/97/10/11/787971011.db2.gz PTCPCOYFTRHLLA-GXTWGEPZSA-N 1 2 349.818 2.054 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001079015426 788119148 /nfs/dbraw/zinc/11/91/48/788119148.db2.gz VACBLLPRGQMROM-HNNXBMFYSA-N 1 2 332.448 2.066 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(F)F)o2)[C@H](O)C1 ZINC001090770933 788194679 /nfs/dbraw/zinc/19/46/79/788194679.db2.gz MFLPWLFHABYBCP-VHSXEESVSA-N 1 2 334.750 2.135 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(F)F)o2)[C@H](O)C1 ZINC001090770933 788194684 /nfs/dbraw/zinc/19/46/84/788194684.db2.gz MFLPWLFHABYBCP-VHSXEESVSA-N 1 2 334.750 2.135 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)C)CC1 ZINC001109675726 805857080 /nfs/dbraw/zinc/85/70/80/805857080.db2.gz 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C[C@]1(CNC(=O)C=C2CCC2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107862308 788876930 /nfs/dbraw/zinc/87/69/30/788876930.db2.gz LWFIFXWVZICFQK-FQEVSTJZSA-N 1 2 339.439 2.376 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060795896 789024479 /nfs/dbraw/zinc/02/44/79/789024479.db2.gz YOLGENDUOHPYGE-BZUAXINKSA-N 1 2 346.475 2.346 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212146065 789099354 /nfs/dbraw/zinc/09/93/54/789099354.db2.gz INDQDKXUZXMNHZ-WOJBJXKFSA-N 1 2 338.451 2.047 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212146065 789099358 /nfs/dbraw/zinc/09/93/58/789099358.db2.gz INDQDKXUZXMNHZ-WOJBJXKFSA-N 1 2 338.451 2.047 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCCC[C@H]2CNc2cc[nH+]c(C)n2)nc1 ZINC001060262481 789204832 /nfs/dbraw/zinc/20/48/32/789204832.db2.gz UVLHNGGDJZSFGD-INIZCTEOSA-N 1 2 335.411 2.268 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2sccc2Cl)[C@@H](O)C1 ZINC001090286748 789749608 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C=CCCCC(=O)N(C)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001079054269 790188368 /nfs/dbraw/zinc/18/83/68/790188368.db2.gz GMXASORAAWTFDR-INIZCTEOSA-N 1 2 346.475 2.158 20 30 EEEDLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1Nc1cccc(F)c1C#N ZINC001063759901 791628854 /nfs/dbraw/zinc/62/88/54/791628854.db2.gz DCTPCYSLUHIBLJ-SWLSCSKDSA-N 1 2 341.390 2.312 20 30 EEEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@H](C)CSC)C2)C1 ZINC001147225757 791762529 /nfs/dbraw/zinc/76/25/29/791762529.db2.gz VLNMMQITCPQBRW-LLVKDONJSA-N 1 2 347.322 2.428 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@H](C)CSC)C2)C1 ZINC001147225757 791762536 /nfs/dbraw/zinc/76/25/36/791762536.db2.gz VLNMMQITCPQBRW-LLVKDONJSA-N 1 2 347.322 2.428 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ncnn1C(C)C)C2 ZINC001147374298 791804532 /nfs/dbraw/zinc/80/45/32/791804532.db2.gz LCYAGEQUADIFOG-UHFFFAOYSA-N 1 2 343.475 2.087 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ncnn1C(C)C)C2 ZINC001147374298 791804535 /nfs/dbraw/zinc/80/45/35/791804535.db2.gz 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/nfs/dbraw/zinc/41/44/51/792414451.db2.gz QRMXOVXQUMIUJG-ROUUACIJSA-N 1 2 335.382 2.301 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2F)c1 ZINC001032617749 792414456 /nfs/dbraw/zinc/41/44/56/792414456.db2.gz QRMXOVXQUMIUJG-ROUUACIJSA-N 1 2 335.382 2.301 20 30 EEEDLO C[N@@H+](Cc1ccccc1C#N)C[C@@H]1CCCCN1C(=O)c1ccn[nH]1 ZINC001089124707 792507441 /nfs/dbraw/zinc/50/74/41/792507441.db2.gz DBHGUPMABQZVKA-KRWDZBQOSA-N 1 2 337.427 2.408 20 30 EEEDLO C[N@H+](Cc1ccccc1C#N)C[C@@H]1CCCCN1C(=O)c1ccn[nH]1 ZINC001089124707 792507445 /nfs/dbraw/zinc/50/74/45/792507445.db2.gz DBHGUPMABQZVKA-KRWDZBQOSA-N 1 2 337.427 2.408 20 30 EEEDLO C[C@H]1CC2(CN1C(=O)C#CC1CC1)CC[NH+](Cc1nncs1)CC2 ZINC001086922588 792989814 /nfs/dbraw/zinc/98/98/14/792989814.db2.gz VFWAVHFIJJURGZ-AWEZNQCLSA-N 1 2 344.484 2.155 20 30 EEEDLO CCc1noc([C@@H](C)[N@H+](C)C[C@@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC001089174567 793072499 /nfs/dbraw/zinc/07/24/99/793072499.db2.gz FCQNFZYRKLKQOT-ZBFHGGJFSA-N 1 2 344.459 2.419 20 30 EEEDLO CCc1noc([C@@H](C)[N@@H+](C)C[C@@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC001089174567 793072508 /nfs/dbraw/zinc/07/25/08/793072508.db2.gz FCQNFZYRKLKQOT-ZBFHGGJFSA-N 1 2 344.459 2.419 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001107987316 793237651 /nfs/dbraw/zinc/23/76/51/793237651.db2.gz LEYUORORNAMFNV-IBGZPJMESA-N 1 2 327.428 2.254 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001107987316 793237659 /nfs/dbraw/zinc/23/76/59/793237659.db2.gz LEYUORORNAMFNV-IBGZPJMESA-N 1 2 327.428 2.254 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H](N(CCO)c2cc(CC)[nH+]c(C)n2)C1 ZINC001091836726 793304826 /nfs/dbraw/zinc/30/48/26/793304826.db2.gz AZQBMECWKQCLHL-QGZVFWFLSA-N 1 2 346.475 2.103 20 30 EEEDLO C#CCCCC(=O)N1C[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)C[C@H]2C1 ZINC001091852016 793324723 /nfs/dbraw/zinc/32/47/23/793324723.db2.gz GZIYMAMWNIYPAH-MSOLQXFVSA-N 1 2 340.471 2.490 20 30 EEEDLO Cc1nc(N2CCC3(CCN(C(=O)[C@@H](C)C#N)C3)CC2)c(C)c(C)[nH+]1 ZINC001064578081 793405299 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EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3cnccc3o1)c1nccn12 ZINC001092380413 793874748 /nfs/dbraw/zinc/87/47/48/793874748.db2.gz YIUKOTRGVHPAHM-CQSZACIVSA-N 1 2 349.394 2.096 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@@H]3CCCC[C@H]13)c1nccn12 ZINC001092381818 793876925 /nfs/dbraw/zinc/87/69/25/793876925.db2.gz ZKKLIUAXIFHVGV-MWDXBVQZSA-N 1 2 340.471 2.467 20 30 EEEDLO Cc1nc(NC[C@@H]2CCCN2C(=O)[C@H](C)C#N)c2c([nH+]1)CCCC2 ZINC001064870721 793890434 /nfs/dbraw/zinc/89/04/34/793890434.db2.gz JMZHLJIVMBNKBB-OCCSQVGLSA-N 1 2 327.432 2.226 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)c3c[nH]c(C)cc3=O)CCC[C@@H]12 ZINC000992382843 793895396 /nfs/dbraw/zinc/89/53/96/793895396.db2.gz RDWNQXUMEWFKMV-NVXWUHKLSA-N 1 2 335.835 2.163 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)c3c[nH]c(C)cc3=O)CCC[C@@H]12 ZINC000992382843 793895405 /nfs/dbraw/zinc/89/54/05/793895405.db2.gz RDWNQXUMEWFKMV-NVXWUHKLSA-N 1 2 335.835 2.163 20 30 EEEDLO Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#Cc2ccccc2)c(=O)[nH]1 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C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC3(F)F)CC2)C1 ZINC001093545290 795359460 /nfs/dbraw/zinc/35/94/60/795359460.db2.gz CFCWKRBBYURMBJ-OAHLLOKOSA-N 1 2 328.403 2.300 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cncc4[nH]ccc43)CC2)C1 ZINC001093550020 795368028 /nfs/dbraw/zinc/36/80/28/795368028.db2.gz FOKBBHIFMRHKKL-UHFFFAOYSA-N 1 2 340.427 2.054 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@H]3CC[C@H](C)O3)CC2)C1 ZINC001093569304 795379605 /nfs/dbraw/zinc/37/96/05/795379605.db2.gz BBDPPIXAXCUIHZ-DOTOQJQBSA-N 1 2 336.476 2.212 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)C1 ZINC001093576210 795387060 /nfs/dbraw/zinc/38/70/60/795387060.db2.gz UOWMHROPLSGMQL-UHFFFAOYSA-N 1 2 344.459 2.169 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](C)C(F)(F)F)CC2)C1 ZINC001093559903 795417438 /nfs/dbraw/zinc/41/74/38/795417438.db2.gz BKVZXNSHSCWBQG-LBPRGKRZSA-N 1 2 334.382 2.453 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)C[C@@H]3CCCO3)CC2)C1 ZINC001093600103 795441797 /nfs/dbraw/zinc/44/17/97/795441797.db2.gz OGZQSDARXXZAHP-RDJZCZTQSA-N 1 2 336.476 2.069 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC(N(CC)C(=O)CCCn2cc[nH+]c2)C1 ZINC001080027251 795504155 /nfs/dbraw/zinc/50/41/55/795504155.db2.gz YOQXRLMPTILIEQ-CVEARBPZSA-N 1 2 346.475 2.181 20 30 EEEDLO C[C@H](CCNc1ccc(C#N)nc1)NC(=O)c1cccc2[nH+]ccn21 ZINC001106493431 795702537 /nfs/dbraw/zinc/70/25/37/795702537.db2.gz JIDUZUVXKCZDSO-CYBMUJFWSA-N 1 2 334.383 2.221 20 30 EEEDLO C#CCCCC(=O)N1CC(N(CC)C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001080236485 795742516 /nfs/dbraw/zinc/74/25/16/795742516.db2.gz UQPZFKNTFZLOKB-UHFFFAOYSA-N 1 2 341.455 2.483 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(CC)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001080310381 795842189 /nfs/dbraw/zinc/84/21/89/795842189.db2.gz STILTXXPDVWWMF-AWEZNQCLSA-N 1 2 332.448 2.004 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2cccc3cnccc32)C1 ZINC001108027789 795847127 /nfs/dbraw/zinc/84/71/27/795847127.db2.gz XCDXWRODUSXVRV-FQEVSTJZSA-N 1 2 339.439 2.170 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2cccc3cnccc32)C1 ZINC001108027789 795847131 /nfs/dbraw/zinc/84/71/31/795847131.db2.gz XCDXWRODUSXVRV-FQEVSTJZSA-N 1 2 339.439 2.170 20 30 EEEDLO O=C(C[C@H]1CCCOC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032787795 795852345 /nfs/dbraw/zinc/85/23/45/795852345.db2.gz YMJPOTNDCBNBET-AABGKKOBSA-N 1 2 338.451 2.140 20 30 EEEDLO O=C(C[C@H]1CCCOC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032787795 795852349 /nfs/dbraw/zinc/85/23/49/795852349.db2.gz YMJPOTNDCBNBET-AABGKKOBSA-N 1 2 338.451 2.140 20 30 EEEDLO C[C@H](CCNc1ncccc1C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001106594223 795910329 /nfs/dbraw/zinc/91/03/29/795910329.db2.gz YSILCBKVIRUTOM-ZIAGYGMSSA-N 1 2 326.404 2.108 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)[C@@H]2C)ncn1 ZINC000993205902 795912085 /nfs/dbraw/zinc/91/20/85/795912085.db2.gz IFYXIUCGBNIOHM-QAPCUYQASA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)ncn1 ZINC000993205902 795912090 /nfs/dbraw/zinc/91/20/90/795912090.db2.gz IFYXIUCGBNIOHM-QAPCUYQASA-N 1 2 349.438 2.440 20 30 EEEDLO N#Cc1c(F)cccc1NCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001094112472 795935921 /nfs/dbraw/zinc/93/59/21/795935921.db2.gz YHEOJJZQDKDQIU-NSHDSACASA-N 1 2 327.363 2.069 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@@H+]1Cc1ccns1 ZINC000993209623 795953380 /nfs/dbraw/zinc/95/33/80/795953380.db2.gz ZZLMESZQIRGBNL-XHDPSFHLSA-N 1 2 329.429 2.126 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1Cc1ccns1 ZINC000993209623 795953383 /nfs/dbraw/zinc/95/33/83/795953383.db2.gz ZZLMESZQIRGBNL-XHDPSFHLSA-N 1 2 329.429 2.126 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(C)c2C)C1 ZINC001080400214 795975734 /nfs/dbraw/zinc/97/57/34/795975734.db2.gz ZKCREGIQDUYKLI-QMTHXVAHSA-N 1 2 340.265 2.292 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(C)c2C)C1 ZINC001080400214 795975739 /nfs/dbraw/zinc/97/57/39/795975739.db2.gz ZKCREGIQDUYKLI-QMTHXVAHSA-N 1 2 340.265 2.292 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cccc(C)c3Cl)nn2)C1 ZINC001094330608 796103588 /nfs/dbraw/zinc/10/35/88/796103588.db2.gz NAXMRXVNZISTNI-UHFFFAOYSA-N 1 2 345.834 2.213 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cc(C)c(F)c(C)c3)nn2)C1 ZINC001094338288 796112779 /nfs/dbraw/zinc/11/27/79/796112779.db2.gz CUAYQZUZENKDLC-UHFFFAOYSA-N 1 2 343.406 2.007 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ncc[nH]2)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000993313819 796330517 /nfs/dbraw/zinc/33/05/17/796330517.db2.gz OISBYMUKLVYJNM-LRDDRELGSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ncc[nH]2)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000993313819 796330522 /nfs/dbraw/zinc/33/05/22/796330522.db2.gz OISBYMUKLVYJNM-LRDDRELGSA-N 1 2 341.390 2.203 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001060977952 796347795 /nfs/dbraw/zinc/34/77/95/796347795.db2.gz ULEFMGWHTZXMRC-SCLBCKFNSA-N 1 2 342.447 2.226 20 30 EEEDLO N#Cc1ccc(NCCCNC(=O)c2cccc(-n3cc[nH+]c3)c2)nc1 ZINC001094554546 796430404 /nfs/dbraw/zinc/43/04/04/796430404.db2.gz HWEFOUXDNZIPEY-UHFFFAOYSA-N 1 2 346.394 2.371 20 30 EEEDLO N#Cc1c(F)cccc1NCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001094639627 796509320 /nfs/dbraw/zinc/50/93/20/796509320.db2.gz XMAGFCDBCQASDL-ZDUSSCGKSA-N 1 2 341.390 2.075 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CC[C@H](C(C)C)CC3)CC2=O)C1 ZINC001094803240 796600052 /nfs/dbraw/zinc/60/00/52/796600052.db2.gz KLWATPKKDGCTPT-BRWVUGGUSA-N 1 2 347.503 2.036 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3nc[nH]c3n2)[C@@H]1C ZINC000993493183 796773966 /nfs/dbraw/zinc/77/39/66/796773966.db2.gz REPMACYWIKQCJN-RYUDHWBXSA-N 1 2 333.823 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3nc[nH]c3n2)[C@@H]1C ZINC000993493183 796773970 /nfs/dbraw/zinc/77/39/70/796773970.db2.gz REPMACYWIKQCJN-RYUDHWBXSA-N 1 2 333.823 2.293 20 30 EEEDLO C=C(Cl)CN1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC000993519517 796777377 /nfs/dbraw/zinc/77/73/77/796777377.db2.gz KPNZYLHMBLGMBF-JSGCOSHPSA-N 1 2 340.855 2.071 20 30 EEEDLO N#C[C@H]1C[NH2+]CCN1C1CCN(c2ccc(Br)cc2)CC1 ZINC001171990948 796827659 /nfs/dbraw/zinc/82/76/59/796827659.db2.gz HHVYCHGIBJFXQJ-INIZCTEOSA-N 1 2 349.276 2.215 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ncccc2F)[C@H]1C ZINC000993734960 796995303 /nfs/dbraw/zinc/99/53/03/796995303.db2.gz VPHWKODTOFRVKG-OCCSQVGLSA-N 1 2 325.815 2.485 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ncccc2F)[C@H]1C ZINC000993734960 796995305 /nfs/dbraw/zinc/99/53/05/796995305.db2.gz VPHWKODTOFRVKG-OCCSQVGLSA-N 1 2 325.815 2.485 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@]1(C)C=CCC1 ZINC001082033458 797132940 /nfs/dbraw/zinc/13/29/40/797132940.db2.gz KKMYPGMVLDMEHO-JFIYKMOQSA-N 1 2 345.468 2.291 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@]1(C)C=CCC1 ZINC001082033458 797132944 /nfs/dbraw/zinc/13/29/44/797132944.db2.gz KKMYPGMVLDMEHO-JFIYKMOQSA-N 1 2 345.468 2.291 20 30 EEEDLO C=CCCC(=O)N[C@@H](C)c1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001060634075 797226142 /nfs/dbraw/zinc/22/61/42/797226142.db2.gz LHAQTLHCMOIBIR-AWEZNQCLSA-N 1 2 340.427 2.412 20 30 EEEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173136569 797242401 /nfs/dbraw/zinc/24/24/01/797242401.db2.gz RABDDYQHTWSWPY-ZBFHGGJFSA-N 1 2 341.436 2.246 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ccncn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000994056236 797266133 /nfs/dbraw/zinc/26/61/33/797266133.db2.gz ZDZUONYVXVWHND-YOEHRIQHSA-N 1 2 335.411 2.131 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ccncn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000994056236 797266136 /nfs/dbraw/zinc/26/61/36/797266136.db2.gz ZDZUONYVXVWHND-YOEHRIQHSA-N 1 2 335.411 2.131 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)c2cccc(Cl)c2)[C@H](OC)C1 ZINC001082181093 797295695 /nfs/dbraw/zinc/29/56/95/797295695.db2.gz UBLPENRAAILQAE-HZPDHXFCSA-N 1 2 334.847 2.066 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)c2cccc(Cl)c2)[C@H](OC)C1 ZINC001082181093 797295700 /nfs/dbraw/zinc/29/57/00/797295700.db2.gz UBLPENRAAILQAE-HZPDHXFCSA-N 1 2 334.847 2.066 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)(C)C)oc2C)[C@H](OC)C1 ZINC001082181135 797295953 /nfs/dbraw/zinc/29/59/53/797295953.db2.gz WHYKLVQZPLMBPV-HZPDHXFCSA-N 1 2 332.444 2.338 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)(C)C)oc2C)[C@H](OC)C1 ZINC001082181135 797295957 /nfs/dbraw/zinc/29/59/57/797295957.db2.gz WHYKLVQZPLMBPV-HZPDHXFCSA-N 1 2 332.444 2.338 20 30 EEEDLO C=CCOCCCC(=O)N1CC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001095099113 797345755 /nfs/dbraw/zinc/34/57/55/797345755.db2.gz GPAWOCBUYKSWEX-KRWDZBQOSA-N 1 2 346.475 2.422 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccsc2C(F)(F)F)[C@H](OC)C1 ZINC001082344337 797454771 /nfs/dbraw/zinc/45/47/71/797454771.db2.gz HOBRARTWEWKBGT-VXGBXAGGSA-N 1 2 346.374 2.219 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccsc2C(F)(F)F)[C@H](OC)C1 ZINC001082344337 797454775 /nfs/dbraw/zinc/45/47/75/797454775.db2.gz HOBRARTWEWKBGT-VXGBXAGGSA-N 1 2 346.374 2.219 20 30 EEEDLO Cc1ncncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001095193444 797504240 /nfs/dbraw/zinc/50/42/40/797504240.db2.gz QBNQNABNWVKNFD-HOJAQTOUSA-N 1 2 346.434 2.172 20 30 EEEDLO Cc1ncncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001095193444 797504243 /nfs/dbraw/zinc/50/42/43/797504243.db2.gz QBNQNABNWVKNFD-HOJAQTOUSA-N 1 2 346.434 2.172 20 30 EEEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001082524733 797577269 /nfs/dbraw/zinc/57/72/69/797577269.db2.gz IROBPFFUGASCHO-GGZOMVNGSA-N 1 2 349.353 2.457 20 30 EEEDLO C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001082524733 797577275 /nfs/dbraw/zinc/57/72/75/797577275.db2.gz IROBPFFUGASCHO-GGZOMVNGSA-N 1 2 349.353 2.457 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001082721616 797662260 /nfs/dbraw/zinc/66/22/60/797662260.db2.gz BFKOLXADEJEKIU-RVZJWNSFSA-N 1 2 332.448 2.486 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(=O)ccoc3c2)[C@H]1C ZINC000994265365 797677102 /nfs/dbraw/zinc/67/71/02/797677102.db2.gz GZWIFLLBHFWMEH-RHSMWYFYSA-N 1 2 338.407 2.399 20 30 EEEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(=O)ccoc3c2)[C@H]1C ZINC000994265365 797677104 /nfs/dbraw/zinc/67/71/04/797677104.db2.gz GZWIFLLBHFWMEH-RHSMWYFYSA-N 1 2 338.407 2.399 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]([NH2+]Cc2cnsn2)[C@@H](C)C1 ZINC001054680731 797720296 /nfs/dbraw/zinc/72/02/96/797720296.db2.gz OWRWZFPDNOWCEY-CABZTGNLSA-N 1 2 328.869 2.253 20 30 EEEDLO CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001174623894 797807880 /nfs/dbraw/zinc/80/78/80/797807880.db2.gz OJGBLYRAPQFDNL-HNNXBMFYSA-N 1 2 339.443 2.373 20 30 EEEDLO CC(C)=C(F)C(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001083047838 797841688 /nfs/dbraw/zinc/84/16/88/797841688.db2.gz XEVJUBZUGAMHMR-DLBZAZTESA-N 1 2 343.402 2.233 20 30 EEEDLO CC(C)=C(F)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001083047838 797841692 /nfs/dbraw/zinc/84/16/92/797841692.db2.gz XEVJUBZUGAMHMR-DLBZAZTESA-N 1 2 343.402 2.233 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc[nH]c4)[C@@H]3C2)c(F)c1 ZINC001084365043 798168269 /nfs/dbraw/zinc/16/82/69/798168269.db2.gz QZJDLTWDQDCUCA-SJLPKXTDSA-N 1 2 338.386 2.372 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cc[nH]c4)[C@@H]3C2)c(F)c1 ZINC001084365043 798168273 /nfs/dbraw/zinc/16/82/73/798168273.db2.gz QZJDLTWDQDCUCA-SJLPKXTDSA-N 1 2 338.386 2.372 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4c3OCCO4)[C@@H]2C1 ZINC001084388213 798190019 /nfs/dbraw/zinc/19/00/19/798190019.db2.gz MTMLLGOEFYLOIF-UKRRQHHQSA-N 1 2 348.830 2.357 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4c3OCCO4)[C@@H]2C1 ZINC001084388213 798190022 /nfs/dbraw/zinc/19/00/22/798190022.db2.gz MTMLLGOEFYLOIF-UKRRQHHQSA-N 1 2 348.830 2.357 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3c(C)cc(C)[nH]c3=O)[C@@H]2C1 ZINC001084559464 798282911 /nfs/dbraw/zinc/28/29/11/798282911.db2.gz AXWHNYQWZPKSQQ-ZIAGYGMSSA-N 1 2 335.835 2.303 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(C)cc(C)[nH]c3=O)[C@@H]2C1 ZINC001084559464 798282917 /nfs/dbraw/zinc/28/29/17/798282917.db2.gz AXWHNYQWZPKSQQ-ZIAGYGMSSA-N 1 2 335.835 2.303 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084670226 798358704 /nfs/dbraw/zinc/35/87/04/798358704.db2.gz GRQIEUNEAHAOPO-AXUOBQJMSA-N 1 2 339.439 2.016 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084670226 798358709 /nfs/dbraw/zinc/35/87/09/798358709.db2.gz GRQIEUNEAHAOPO-AXUOBQJMSA-N 1 2 339.439 2.016 20 30 EEEDLO C[C@@H](C#N)C(=O)NCc1cnn2c1C[N@H+](CCCC1CCC1)CC2 ZINC001128263899 798569931 /nfs/dbraw/zinc/56/99/31/798569931.db2.gz HRDUYVQGCWWQDK-AWEZNQCLSA-N 1 2 329.448 2.055 20 30 EEEDLO C[C@@H](C#N)C(=O)NCc1cnn2c1C[N@@H+](CCCC1CCC1)CC2 ZINC001128263899 798569934 /nfs/dbraw/zinc/56/99/34/798569934.db2.gz HRDUYVQGCWWQDK-AWEZNQCLSA-N 1 2 329.448 2.055 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)c3oc(C)cc3C)C[C@@H]21 ZINC001176969678 798664270 /nfs/dbraw/zinc/66/42/70/798664270.db2.gz NKGYRPURVCRONG-IRXDYDNUSA-N 1 2 348.443 2.014 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3oc(C)cc3C)C[C@@H]21 ZINC001176969678 798664271 /nfs/dbraw/zinc/66/42/71/798664271.db2.gz NKGYRPURVCRONG-IRXDYDNUSA-N 1 2 348.443 2.014 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CCC=CCC3)C[C@H]21 ZINC001177149927 798773890 /nfs/dbraw/zinc/77/38/90/798773890.db2.gz FJCYDPLLKBGNLZ-MOPGFXCFSA-N 1 2 348.487 2.237 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)C3CCC=CCC3)C[C@H]21 ZINC001177149927 798773894 /nfs/dbraw/zinc/77/38/94/798773894.db2.gz FJCYDPLLKBGNLZ-MOPGFXCFSA-N 1 2 348.487 2.237 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCn3cccc3)C[C@@H]21 ZINC001177149654 798774121 /nfs/dbraw/zinc/77/41/21/798774121.db2.gz AGKKASMPFADPIN-ZWKOTPCHSA-N 1 2 331.460 2.146 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCCn3cccc3)C[C@@H]21 ZINC001177149654 798774128 /nfs/dbraw/zinc/77/41/28/798774128.db2.gz AGKKASMPFADPIN-ZWKOTPCHSA-N 1 2 331.460 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799365820 /nfs/dbraw/zinc/36/58/20/799365820.db2.gz JMBARHPAXJCKEB-IRXDYDNUSA-N 1 2 335.492 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)/C(C)=C\CC)CC2)C1 ZINC001065692934 799370060 /nfs/dbraw/zinc/37/00/60/799370060.db2.gz WIUNHSAZWQMWOH-BOVGMKJQSA-N 1 2 333.476 2.054 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@H](C)CC(=C)C)CC2)C1 ZINC001065693432 799371206 /nfs/dbraw/zinc/37/12/06/799371206.db2.gz CWKZXKHVPBDQDD-MSOLQXFVSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC(C)C)CC2)C1 ZINC001065712457 799410868 /nfs/dbraw/zinc/41/08/68/799410868.db2.gz YHIPXWFSCVSTRH-KRWDZBQOSA-N 1 2 335.492 2.134 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)CCc2cscn2)C1 ZINC001150803620 799483268 /nfs/dbraw/zinc/48/32/68/799483268.db2.gz OSSSKVSBLJBVDM-AWEZNQCLSA-N 1 2 343.880 2.035 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)CCc2cscn2)C1 ZINC001150803620 799483273 /nfs/dbraw/zinc/48/32/73/799483273.db2.gz OSSSKVSBLJBVDM-AWEZNQCLSA-N 1 2 343.880 2.035 20 30 EEEDLO CC(C)C#CC(=O)N1CC[C@H]([NH2+]Cc2nc(C(C)(C)C)no2)[C@@H]1C ZINC001178649072 799562239 /nfs/dbraw/zinc/56/22/39/799562239.db2.gz ULVVCMJQNJBLSA-KBPBESRZSA-N 1 2 332.448 2.106 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2c(C)cc3ccccc32)C1 ZINC001108057273 799831078 /nfs/dbraw/zinc/83/10/78/799831078.db2.gz FDXPZGPSTDPJNG-FQEVSTJZSA-N 1 2 341.455 2.343 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2c(C)cc3ccccc32)C1 ZINC001108057273 799831085 /nfs/dbraw/zinc/83/10/85/799831085.db2.gz FDXPZGPSTDPJNG-FQEVSTJZSA-N 1 2 341.455 2.343 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]([NH2+]Cc2nc([C@H](C)OC)no2)[C@@H]1C ZINC001179452714 799931564 /nfs/dbraw/zinc/93/15/64/799931564.db2.gz XJZDMNDLXIATJY-IHRRRGAJSA-N 1 2 336.436 2.212 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC001108058519 800002607 /nfs/dbraw/zinc/00/26/07/800002607.db2.gz BIUBNCMCNNFNOU-LJQANCHMSA-N 1 2 340.427 2.083 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC001108058519 800002614 /nfs/dbraw/zinc/00/26/14/800002614.db2.gz BIUBNCMCNNFNOU-LJQANCHMSA-N 1 2 340.427 2.083 20 30 EEEDLO C=CCCC(=O)N(C)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001078875537 800022977 /nfs/dbraw/zinc/02/29/77/800022977.db2.gz CXIYEJIBYQBRJC-MRXNPFEDSA-N 1 2 332.448 2.148 20 30 EEEDLO C=CCCC(=O)N(C)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001078875537 800022984 /nfs/dbraw/zinc/02/29/84/800022984.db2.gz CXIYEJIBYQBRJC-MRXNPFEDSA-N 1 2 332.448 2.148 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2nocc2C)CC1 ZINC001003786774 800195935 /nfs/dbraw/zinc/19/59/35/800195935.db2.gz BBCYJOSNAWWEGN-RDJZCZTQSA-N 1 2 333.432 2.045 20 30 EEEDLO Cc1nnsc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001032900210 800294139 /nfs/dbraw/zinc/29/41/39/800294139.db2.gz QTYXEYLUSYWLDI-NSHDSACASA-N 1 2 347.469 2.126 20 30 EEEDLO Cc1nnsc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001032900210 800294142 /nfs/dbraw/zinc/29/41/42/800294142.db2.gz QTYXEYLUSYWLDI-NSHDSACASA-N 1 2 347.469 2.126 20 30 EEEDLO 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/nfs/dbraw/zinc/88/82/51/800888251.db2.gz XEZFJPMCOWJYPO-GOSISDBHSA-N 1 2 325.387 2.352 20 30 EEEDLO Cc1nc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)co1 ZINC001033026201 800941753 /nfs/dbraw/zinc/94/17/53/800941753.db2.gz MWPPWBRBLVSLFV-OAHLLOKOSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1nc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)co1 ZINC001033026201 800941759 /nfs/dbraw/zinc/94/17/59/800941759.db2.gz MWPPWBRBLVSLFV-OAHLLOKOSA-N 1 2 342.374 2.340 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ncc(CC)o2)C1 ZINC001033086363 801529287 /nfs/dbraw/zinc/52/92/87/801529287.db2.gz HSSQZAJUKHUCGU-UAGQMJEPSA-N 1 2 347.459 2.251 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ncc(CC)o2)C1 ZINC001033086363 801529290 /nfs/dbraw/zinc/52/92/90/801529290.db2.gz HSSQZAJUKHUCGU-UAGQMJEPSA-N 1 2 347.459 2.251 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001066347637 801742403 /nfs/dbraw/zinc/74/24/03/801742403.db2.gz DNNVOZGUYHSDHA-MRXNPFEDSA-N 1 2 346.475 2.373 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)c1ccc(=O)[nH]c1 ZINC001085957452 801764680 /nfs/dbraw/zinc/76/46/80/801764680.db2.gz CCRRFVXKSKZCGC-KRWDZBQOSA-N 1 2 336.395 2.005 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)c1ccc(=O)[nH]c1 ZINC001085957452 801764682 /nfs/dbraw/zinc/76/46/82/801764682.db2.gz CCRRFVXKSKZCGC-KRWDZBQOSA-N 1 2 336.395 2.005 20 30 EEEDLO C=C(Br)C[NH2+][C@H]1C[C@@H](CNC(=O)c2[nH]nc(C)c2C)C1 ZINC001086049746 802019618 /nfs/dbraw/zinc/01/96/18/802019618.db2.gz NDBCVOKQSDEZNO-TXEJJXNPSA-N 1 2 341.253 2.033 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cn3c(n2)CCCC3)CC1 ZINC001004448794 802069660 /nfs/dbraw/zinc/06/96/60/802069660.db2.gz FRISBLPHVKULTO-QGZVFWFLSA-N 1 2 341.459 2.060 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cn3c(n2)CCCC3)CC1 ZINC001004448794 802069667 /nfs/dbraw/zinc/06/96/67/802069667.db2.gz FRISBLPHVKULTO-QGZVFWFLSA-N 1 2 341.459 2.060 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001066432174 802402574 /nfs/dbraw/zinc/40/25/74/802402574.db2.gz SDABFJMSQKYOTC-HOTGVXAUSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001066432174 802402576 /nfs/dbraw/zinc/40/25/76/802402576.db2.gz SDABFJMSQKYOTC-HOTGVXAUSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001066442975 802498356 /nfs/dbraw/zinc/49/83/56/802498356.db2.gz JFZLSIXXDQFHAG-CQSZACIVSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cnn3ccccc23)C1 ZINC001033156780 802635964 /nfs/dbraw/zinc/63/59/64/802635964.db2.gz ZBXUTYIZHHGMAE-OAHLLOKOSA-N 1 2 332.835 2.162 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cnn3ccccc23)C1 ZINC001033156780 802635969 /nfs/dbraw/zinc/63/59/69/802635969.db2.gz ZBXUTYIZHHGMAE-OAHLLOKOSA-N 1 2 332.835 2.162 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2CC[NH+]([C@@H](C)c3ncccn3)CC2)nc1 ZINC001006303750 802890833 /nfs/dbraw/zinc/89/08/33/802890833.db2.gz QNKHRTYXQYATHB-HNNXBMFYSA-N 1 2 349.438 2.151 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(Cl)ccc2OC)C1 ZINC001108379947 803405801 /nfs/dbraw/zinc/40/58/01/803405801.db2.gz DFSKHQSJGVJSAQ-QGZVFWFLSA-N 1 2 338.835 2.355 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(Cl)ccc2OC)C1 ZINC001108379947 803405805 /nfs/dbraw/zinc/40/58/05/803405805.db2.gz DFSKHQSJGVJSAQ-QGZVFWFLSA-N 1 2 338.835 2.355 20 30 EEEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168975067 803557697 /nfs/dbraw/zinc/55/76/97/803557697.db2.gz UIBYEEHRYWDEHJ-IKGGRYGDSA-N 1 2 332.400 2.362 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001108434659 803566555 /nfs/dbraw/zinc/56/65/55/803566555.db2.gz UUYIXEYAOFSTEV-UZLBHIALSA-N 1 2 346.446 2.235 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001108434659 803566556 /nfs/dbraw/zinc/56/65/56/803566556.db2.gz UUYIXEYAOFSTEV-UZLBHIALSA-N 1 2 346.446 2.235 20 30 EEEDLO 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806994107 /nfs/dbraw/zinc/99/41/07/806994107.db2.gz NXTNCAXYXQDEAC-GOSISDBHSA-N 1 2 346.471 2.499 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](Cc2cccc(OCCC)c2)CC1 ZINC001112813956 807329237 /nfs/dbraw/zinc/32/92/37/807329237.db2.gz FXNJLTYBSUTTSC-HXUWFJFHSA-N 1 2 346.471 2.447 20 30 EEEDLO COc1ccc(COCC[NH+]2CCN(C(=O)C#CC(C)C)CC2)cc1 ZINC001112834616 807359720 /nfs/dbraw/zinc/35/97/20/807359720.db2.gz WLRCYRZDARJEBH-UHFFFAOYSA-N 1 2 344.455 2.015 20 30 EEEDLO C=CCOCC(=O)NC1CC(CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001112826594 807363113 /nfs/dbraw/zinc/36/31/13/807363113.db2.gz XRNUBZGRTMKUMO-UHFFFAOYSA-N 1 2 330.432 2.172 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NC1CC(CNc2cc[nH+]c(C)n2)C1 ZINC001112860523 807486695 /nfs/dbraw/zinc/48/66/95/807486695.db2.gz LVPKRXBPVUPRON-JMLCCBQJSA-N 1 2 332.448 2.321 20 30 EEEDLO Cc1cc(N[C@H](C)[C@H](C)NC(=O)CSCC#N)nc(C2CC2)[nH+]1 ZINC001112911799 807595534 /nfs/dbraw/zinc/59/55/34/807595534.db2.gz RVMFAURKXXUPRI-NEPJUHHUSA-N 1 2 333.461 2.224 20 30 EEEDLO C=CCOc1cccnc1C(=O)N[C@H](C)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001113150750 808259193 /nfs/dbraw/zinc/25/91/93/808259193.db2.gz QAZIWTPRUBOSQU-QWHCGFSZSA-N 1 2 341.415 2.364 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(C)nc2C2CC2)CC1 ZINC001113166351 808324365 /nfs/dbraw/zinc/32/43/65/808324365.db2.gz LDAJTLKDIOMSDR-UHFFFAOYSA-N 1 2 329.444 2.228 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CCOC[C@H]2CCCCO2)CC1 ZINC001113303029 808670590 /nfs/dbraw/zinc/67/05/90/808670590.db2.gz INXDVMREAGELNT-MJGOQNOKSA-N 1 2 338.492 2.319 20 30 EEEDLO C=C1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001113313770 808708606 /nfs/dbraw/zinc/70/86/06/808708606.db2.gz MXECISYGTWOLCS-CHWSQXEVSA-N 1 2 342.447 2.415 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001113316339 808714025 /nfs/dbraw/zinc/71/40/25/808714025.db2.gz GTDKIYMIWHOFKJ-KBPBESRZSA-N 1 2 345.491 2.372 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001113316339 808714027 /nfs/dbraw/zinc/71/40/27/808714027.db2.gz GTDKIYMIWHOFKJ-KBPBESRZSA-N 1 2 345.491 2.372 20 30 EEEDLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H](C)Nc1ncc(C#N)cc1Cl ZINC001113351969 808812579 /nfs/dbraw/zinc/81/25/79/808812579.db2.gz KWJXHLKSKOQRDB-GHMZBOCLSA-N 1 2 346.822 2.268 20 30 EEEDLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H](C)Nc1ncc(C#N)cc1Cl ZINC001113351969 808812584 /nfs/dbraw/zinc/81/25/84/808812584.db2.gz KWJXHLKSKOQRDB-GHMZBOCLSA-N 1 2 346.822 2.268 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)n2)CC1 ZINC001113450493 809007818 /nfs/dbraw/zinc/00/78/18/809007818.db2.gz QPJHURBFOQIOAP-UHFFFAOYSA-N 1 2 343.349 2.061 20 30 EEEDLO C[C@H](CNC(=O)CCCn1cc[nH+]c1)N(C)c1cccc(F)c1C#N ZINC001113634899 809398313 /nfs/dbraw/zinc/39/83/13/809398313.db2.gz BAMIECPOHMABOF-CQSZACIVSA-N 1 2 343.406 2.315 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001113714460 809621505 /nfs/dbraw/zinc/62/15/05/809621505.db2.gz FQJSGEPFRWAFIY-INIZCTEOSA-N 1 2 332.444 2.239 20 30 EEEDLO 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ZINC001114258291 810695910 /nfs/dbraw/zinc/69/59/10/810695910.db2.gz OSTKQTTVSLIBEN-QWHZDKJVSA-N 1 2 341.455 2.149 20 30 EEEDLO CCCC[C@@H](CNc1ccc(C#N)nc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001114274633 810730048 /nfs/dbraw/zinc/73/00/48/810730048.db2.gz LMSURYMQHNXKSI-HNNXBMFYSA-N 1 2 326.404 2.006 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCCC(C)(C)C)C[C@H]1NCC#N ZINC001130938293 812205586 /nfs/dbraw/zinc/20/55/86/812205586.db2.gz GXXKHWUNIQCBMT-HUUCEWRRSA-N 1 2 331.464 2.044 20 30 EEEDLO CC(C)CCCCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131084227 812368939 /nfs/dbraw/zinc/36/89/39/812368939.db2.gz NFMQIQIOHZKODQ-IAGOWNOFSA-N 1 2 345.491 2.434 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CCOC(C)C)C[C@@H](C)O2 ZINC001131629368 813045796 /nfs/dbraw/zinc/04/57/96/813045796.db2.gz PWWGWKZRZHBDOI-WBVHZDCISA-N 1 2 344.883 2.246 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCOC(C)C)C[C@@H](C)O2 ZINC001131629368 813045805 /nfs/dbraw/zinc/04/58/05/813045805.db2.gz 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C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)Cc1cscn1 ZINC001437680761 1090215641 /nfs/dbraw/zinc/21/56/41/1090215641.db2.gz LWGAJDHRRKXREU-LBPRGKRZSA-N 1 2 344.278 2.175 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC[N@H+](Cc1csnn1)C1CCCCCC1 ZINC001439690872 1092637545 /nfs/dbraw/zinc/63/75/45/1092637545.db2.gz NMULKSZYRGANJH-ZDUSSCGKSA-N 1 2 335.477 2.339 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](Cc1csnn1)C1CCCCCC1 ZINC001439690872 1092637547 /nfs/dbraw/zinc/63/75/47/1092637547.db2.gz NMULKSZYRGANJH-ZDUSSCGKSA-N 1 2 335.477 2.339 20 30 EEEDLO CCCCC(=O)NCC[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC001479925948 1099341168 /nfs/dbraw/zinc/34/11/68/1099341168.db2.gz GQWNFLXMOGNFBZ-UHFFFAOYSA-N 1 2 346.450 2.121 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+](CCNC(=O)C[C@H]2CCCO2)C2CC2)c1 ZINC001493349925 1107968407 /nfs/dbraw/zinc/96/84/07/1107968407.db2.gz ZMIBYXUCFDWKIU-QGZVFWFLSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+](CCNC(=O)C[C@H]2CCCO2)C2CC2)c1 ZINC001493349925 1107968414 /nfs/dbraw/zinc/96/84/14/1107968414.db2.gz ZMIBYXUCFDWKIU-QGZVFWFLSA-N 1 2 345.418 2.347 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)c3cccc4c[nH]nc43)C2)C1 ZINC001472132129 1110546255 /nfs/dbraw/zinc/54/62/55/1110546255.db2.gz XZYFJVQCMQOXQJ-UHFFFAOYSA-N 1 2 330.819 2.463 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)c3cccc4c[nH]nc43)C2)C1 ZINC001472132129 1110546256 /nfs/dbraw/zinc/54/62/56/1110546256.db2.gz XZYFJVQCMQOXQJ-UHFFFAOYSA-N 1 2 330.819 2.463 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(NC(C)=O)CCCC2)[C@H]1C ZINC001507380925 1115240027 /nfs/dbraw/zinc/24/00/27/1115240027.db2.gz GQBVBZFOWDTINX-UKRRQHHQSA-N 1 2 341.883 2.157 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(NC(C)=O)CCCC2)[C@H]1C ZINC001507380925 1115240031 /nfs/dbraw/zinc/24/00/31/1115240031.db2.gz GQBVBZFOWDTINX-UKRRQHHQSA-N 1 2 341.883 2.157 20 30 EEEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)CCCSC ZINC001515042328 1118930911 /nfs/dbraw/zinc/93/09/11/1118930911.db2.gz ODBXUTPKVPBIMQ-UHFFFAOYSA-N 1 2 334.493 2.368 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001520252218 1119139922 /nfs/dbraw/zinc/13/99/22/1119139922.db2.gz HXOXUOZMYKBNIA-PMPSAXMXSA-N 1 2 333.480 2.481 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001520252218 1119139926 /nfs/dbraw/zinc/13/99/26/1119139926.db2.gz HXOXUOZMYKBNIA-PMPSAXMXSA-N 1 2 333.480 2.481 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H](CO)[C@@H]1C ZINC001520331166 1119146676 /nfs/dbraw/zinc/14/66/76/1119146676.db2.gz MOEAGAGFMSIPCB-JKSUJKDBSA-N 1 2 333.480 2.047 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)C[C@@H]1CCOC1 ZINC001524338555 1120065452 /nfs/dbraw/zinc/06/54/52/1120065452.db2.gz WLQNUGXTYDACKZ-HOTGVXAUSA-N 1 2 333.480 2.484 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)C[C@@H]1CCOC1 ZINC001524338555 1120065454 /nfs/dbraw/zinc/06/54/54/1120065454.db2.gz WLQNUGXTYDACKZ-HOTGVXAUSA-N 1 2 333.480 2.484 20 30 EEEDLO CC(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000050991785 214074558 /nfs/dbraw/zinc/07/45/58/214074558.db2.gz VCQXOGOOQLWJBP-NSHDSACASA-N 1 2 348.834 2.139 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3nccs3)CC2)cc1 ZINC000055091373 214272431 /nfs/dbraw/zinc/27/24/31/214272431.db2.gz AAVCLUMEUDUYGP-UHFFFAOYSA-N 1 2 340.452 2.292 20 30 EEEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)cc1 ZINC000175166455 231397619 /nfs/dbraw/zinc/39/76/19/231397619.db2.gz CFGOWBAPXROJFP-UHFFFAOYSA-N 1 2 338.411 2.243 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000066866129 215088016 /nfs/dbraw/zinc/08/80/16/215088016.db2.gz AOIAWYYRKVTWCA-QGZVFWFLSA-N 1 2 347.503 2.300 20 30 EEEDLO CCC[N@@H+]1CC[C@@H](CNC(=O)N=c2nc(C(C)(C)C)[nH]s2)C1 ZINC000329350140 539771988 /nfs/dbraw/zinc/77/19/88/539771988.db2.gz WSDHQAUGAHMCSF-NSHDSACASA-N 1 2 325.482 2.315 20 30 EEEDLO CCC[N@H+]1CC[C@@H](CNC(=O)N=c2nc(C(C)(C)C)[nH]s2)C1 ZINC000329350140 539771994 /nfs/dbraw/zinc/77/19/94/539771994.db2.gz WSDHQAUGAHMCSF-NSHDSACASA-N 1 2 325.482 2.315 20 30 EEEDLO COCC[N@H+](CC(=O)NC(C1CC1)C1CC1)Cc1ccc(C#N)cc1 ZINC000069072049 215358247 /nfs/dbraw/zinc/35/82/47/215358247.db2.gz ZLJCPDJCPIGETC-UHFFFAOYSA-N 1 2 341.455 2.311 20 30 EEEDLO COCC[N@@H+](CC(=O)NC(C1CC1)C1CC1)Cc1ccc(C#N)cc1 ZINC000069072049 215358249 /nfs/dbraw/zinc/35/82/49/215358249.db2.gz ZLJCPDJCPIGETC-UHFFFAOYSA-N 1 2 341.455 2.311 20 30 EEEDLO NC(=[NH+]OCCO[C@@H]1CCCCO1)c1ccc(N2CCCCC2)nc1 ZINC000192838126 237344103 /nfs/dbraw/zinc/34/41/03/237344103.db2.gz ONJASLYJHVBPJK-QGZVFWFLSA-N 1 2 348.447 2.252 20 30 EEEDLO CC[C@@H](C(=O)NCc1ccc(C#N)c(F)c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000456848466 244371117 /nfs/dbraw/zinc/37/11/17/244371117.db2.gz WMWMWYQCWGZKSL-WBVHZDCISA-N 1 2 333.407 2.203 20 30 EEEDLO CC[C@@H](C(=O)NCc1ccc(C#N)c(F)c1)[N@H+]1CCO[C@H](CC)C1 ZINC000456848466 244371123 /nfs/dbraw/zinc/37/11/23/244371123.db2.gz WMWMWYQCWGZKSL-WBVHZDCISA-N 1 2 333.407 2.203 20 30 EEEDLO C#C[C@@H](NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)C(C)C ZINC000491404137 246020455 /nfs/dbraw/zinc/02/04/55/246020455.db2.gz AEHQEXGMNMXMLZ-MRXNPFEDSA-N 1 2 343.475 2.398 20 30 EEEDLO Cc1ccc(/C=C\C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000491366779 246007161 /nfs/dbraw/zinc/00/71/61/246007161.db2.gz MZADKUOWHWZZDT-FPLPWBNLSA-N 1 2 327.428 2.083 20 30 EEEDLO C#C[C@H]1COCC[N@H+]1CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000491373146 246011051 /nfs/dbraw/zinc/01/10/51/246011051.db2.gz LZFSFAQKLCEJQE-HNNXBMFYSA-N 1 2 329.375 2.451 20 30 EEEDLO C#C[C@H]1COCC[N@@H+]1CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000491373146 246011057 /nfs/dbraw/zinc/01/10/57/246011057.db2.gz LZFSFAQKLCEJQE-HNNXBMFYSA-N 1 2 329.375 2.451 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(N(C)CC)nc2)n1 ZINC000491617076 246084224 /nfs/dbraw/zinc/08/42/24/246084224.db2.gz ATFHNPUOJPTPOX-UHFFFAOYSA-N 1 2 341.459 2.016 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(N(C)CC)nc2)n1 ZINC000491617076 246084232 /nfs/dbraw/zinc/08/42/32/246084232.db2.gz ATFHNPUOJPTPOX-UHFFFAOYSA-N 1 2 341.459 2.016 20 30 EEEDLO C#CCN(C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1)C1CC1 ZINC000491556068 246072311 /nfs/dbraw/zinc/07/23/11/246072311.db2.gz VWLBRQWYSCHVKV-LJQANCHMSA-N 1 2 341.455 2.176 20 30 EEEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)c1ccc(Cl)cc1 ZINC000491637092 246092674 /nfs/dbraw/zinc/09/26/74/246092674.db2.gz XYTRCWPWEZNJID-CZUORRHYSA-N 1 2 335.835 2.034 20 30 EEEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)c1ccc(Cl)cc1 ZINC000491637092 246092678 /nfs/dbraw/zinc/09/26/78/246092678.db2.gz XYTRCWPWEZNJID-CZUORRHYSA-N 1 2 335.835 2.034 20 30 EEEDLO C#C[C@@H](CC)NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000491656666 246098204 /nfs/dbraw/zinc/09/82/04/246098204.db2.gz JLZMZGNJPBBLBZ-ROUUACIJSA-N 1 2 329.444 2.079 20 30 EEEDLO N#Cc1cnc(C[N@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)nc1 ZINC000496037754 247281943 /nfs/dbraw/zinc/28/19/43/247281943.db2.gz AKTGFGWKCHMALB-MRXNPFEDSA-N 1 2 343.431 2.372 20 30 EEEDLO N#Cc1cnc(C[N@@H+]2CCC[C@@H]2COC(=O)NC2CCCCC2)nc1 ZINC000496037754 247281947 /nfs/dbraw/zinc/28/19/47/247281947.db2.gz AKTGFGWKCHMALB-MRXNPFEDSA-N 1 2 343.431 2.372 20 30 EEEDLO C#CCN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1CC1 ZINC000491638575 533086715 /nfs/dbraw/zinc/08/67/15/533086715.db2.gz XRYCNUOEOWHMLP-UHFFFAOYSA-N 1 2 336.395 2.150 20 30 EEEDLO C#CC[N@@H+](Cc1cccc2c(OC)cccc12)[C@H]1CCS(=O)(=O)C1 ZINC000491764582 533136468 /nfs/dbraw/zinc/13/64/68/533136468.db2.gz AUHOFRYJMNDTQU-INIZCTEOSA-N 1 2 343.448 2.471 20 30 EEEDLO C#CC[N@H+](Cc1cccc2c(OC)cccc12)[C@H]1CCS(=O)(=O)C1 ZINC000491764582 533136471 /nfs/dbraw/zinc/13/64/71/533136471.db2.gz AUHOFRYJMNDTQU-INIZCTEOSA-N 1 2 343.448 2.471 20 30 EEEDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)S1 ZINC000267948149 256098806 /nfs/dbraw/zinc/09/88/06/256098806.db2.gz PRLSIPLQFFGMFR-LLVKDONJSA-N 1 2 331.401 2.080 20 30 EEEDLO C#C[C@@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000491806203 533252029 /nfs/dbraw/zinc/25/20/29/533252029.db2.gz QPEBWWXVQJKTPY-GDBMZVCRSA-N 1 2 326.375 2.433 20 30 EEEDLO C#C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000491807882 533254389 /nfs/dbraw/zinc/25/43/89/533254389.db2.gz UMWXLMBRANFBEO-XJKSGUPXSA-N 1 2 335.835 2.034 20 30 EEEDLO C#C[C@@H](NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)c1ccc(Cl)cc1 ZINC000491804169 533259323 /nfs/dbraw/zinc/25/93/23/533259323.db2.gz LDYGBMXPCUARTH-GDBMZVCRSA-N 1 2 330.819 2.167 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000172672246 152107901 /nfs/dbraw/zinc/10/79/01/152107901.db2.gz ZVSRGDDLPQZFIR-UHFFFAOYSA-N 1 2 340.408 2.035 20 30 EEEDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000354024755 153060789 /nfs/dbraw/zinc/06/07/89/153060789.db2.gz TXNPFZBBMQHIBT-LJQANCHMSA-N 1 2 335.407 2.419 20 30 EEEDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000354024755 153060793 /nfs/dbraw/zinc/06/07/93/153060793.db2.gz TXNPFZBBMQHIBT-LJQANCHMSA-N 1 2 335.407 2.419 20 30 EEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Cc2c(F)cccc2C#N)C1 ZINC000354148904 153137685 /nfs/dbraw/zinc/13/76/85/153137685.db2.gz JZTJPZLUYKIDSL-AWEZNQCLSA-N 1 2 340.402 2.455 20 30 EEEDLO CC(C)CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101558345 159252782 /nfs/dbraw/zinc/25/27/82/159252782.db2.gz SADWUJNPNKUSQI-HNNXBMFYSA-N 1 2 346.450 2.370 20 30 EEEDLO Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000185238583 160031360 /nfs/dbraw/zinc/03/13/60/160031360.db2.gz JWENPVJRQLBEPW-UHFFFAOYSA-N 1 2 343.408 2.124 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ncccc3O)CC2)cc1 ZINC000194649916 160197860 /nfs/dbraw/zinc/19/78/60/160197860.db2.gz NDQOOMWLDGDPIT-UHFFFAOYSA-N 1 2 336.395 2.007 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ncccc3O)CC2)cc1 ZINC000194649916 160197861 /nfs/dbraw/zinc/19/78/61/160197861.db2.gz NDQOOMWLDGDPIT-UHFFFAOYSA-N 1 2 336.395 2.007 20 30 EEEDLO Cc1cccc(S(=O)(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C#N ZINC000246210630 160267908 /nfs/dbraw/zinc/26/79/08/160267908.db2.gz CEZBMNSAMHLPMC-HOCLYGCPSA-N 1 2 344.440 2.335 20 30 EEEDLO COc1cncc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000343999481 161188211 /nfs/dbraw/zinc/18/82/11/161188211.db2.gz YRGXNZBJINTJFS-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO Cn1ncc(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)c1C#N ZINC000356324700 163405601 /nfs/dbraw/zinc/40/56/01/163405601.db2.gz ZYPFEBCIYAZFAK-UHFFFAOYSA-N 1 2 348.410 2.051 20 30 EEEDLO N#Cc1cc(C(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)c[nH]1 ZINC000368700025 166111325 /nfs/dbraw/zinc/11/13/25/166111325.db2.gz MLTPAPUDRHXSFA-UHFFFAOYSA-N 1 2 349.316 2.263 20 30 EEEDLO CC(C)(C)[C@@H]([NH2+]Cc1ccc(C#N)o1)c1nc(-c2nc[nH]n2)no1 ZINC000121041680 221743158 /nfs/dbraw/zinc/74/31/58/221743158.db2.gz LIFMCUDNSMSHKR-NSHDSACASA-N 1 2 327.348 2.196 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](Cc2cccnc2)CC1 ZINC000125247150 222538439 /nfs/dbraw/zinc/53/84/39/222538439.db2.gz PPMXFUWUWIUJLW-INIZCTEOSA-N 1 2 349.438 2.098 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=C)C)CC1 ZINC000283430924 270016937 /nfs/dbraw/zinc/01/69/37/270016937.db2.gz YHFCDDXMJGRXPV-UHFFFAOYSA-N 1 2 346.438 2.148 20 30 EEEDLO CCOC(=O)[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)CC ZINC000411475736 267133525 /nfs/dbraw/zinc/13/35/25/267133525.db2.gz FNVWPAPMFMUNFH-SUMWQHHRSA-N 1 2 331.416 2.454 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2ccc(F)c(C#N)c2)CCO1 ZINC000286820563 267834940 /nfs/dbraw/zinc/83/49/40/267834940.db2.gz QLIJXNOSTXCELR-CJNGLKHVSA-N 1 2 328.347 2.081 20 30 EEEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000281010470 268084485 /nfs/dbraw/zinc/08/44/85/268084485.db2.gz VAQQLLFBLYWFSZ-IRXDYDNUSA-N 1 2 333.395 2.370 20 30 EEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000331168359 268099908 /nfs/dbraw/zinc/09/99/08/268099908.db2.gz UOTFXTZPRNFTEQ-UHFFFAOYSA-N 1 2 343.761 2.242 20 30 EEEDLO N#Cc1csc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000355182761 268320045 /nfs/dbraw/zinc/32/00/45/268320045.db2.gz FDQNGFPJLAEHAC-UGSOOPFHSA-N 1 2 334.404 2.465 20 30 EEEDLO N#Cc1csc(C[N@H+]2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000355182761 268320046 /nfs/dbraw/zinc/32/00/46/268320046.db2.gz FDQNGFPJLAEHAC-UGSOOPFHSA-N 1 2 334.404 2.465 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277635935 269166145 /nfs/dbraw/zinc/16/61/45/269166145.db2.gz BTXIHABRVLCIIW-JQWIXIFHSA-N 1 2 347.362 2.193 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000277635935 269166147 /nfs/dbraw/zinc/16/61/47/269166147.db2.gz BTXIHABRVLCIIW-JQWIXIFHSA-N 1 2 347.362 2.193 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ocnc3C3CC3)CC2)cc1 ZINC000289213669 275104261 /nfs/dbraw/zinc/10/42/61/275104261.db2.gz WVAFLQRZQQJQPA-UHFFFAOYSA-N 1 2 336.395 2.382 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N2CCOc3cc[nH+]cc32)cc1Cl ZINC000175661556 311431168 /nfs/dbraw/zinc/43/11/68/311431168.db2.gz CVOGWZDTSXJARH-UHFFFAOYSA-N 1 2 335.772 2.194 20 30 EEEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2sccc2Cl)c1=O ZINC000582975591 324568321 /nfs/dbraw/zinc/56/83/21/324568321.db2.gz IBQZFEWWRJYUQD-UHFFFAOYSA-N 1 2 349.843 2.315 20 30 EEEDLO Cc1cc([C@H]2CCCN2C(=O)NCC[N@@H+]2CCOC(C)(C)C2)on1 ZINC000328728111 465111731 /nfs/dbraw/zinc/11/17/31/465111731.db2.gz DPKRJKLZNBJOJL-CQSZACIVSA-N 1 2 336.436 2.145 20 30 EEEDLO Cc1cc([C@H]2CCCN2C(=O)NCC[N@H+]2CCOC(C)(C)C2)on1 ZINC000328728111 465111736 /nfs/dbraw/zinc/11/17/36/465111736.db2.gz DPKRJKLZNBJOJL-CQSZACIVSA-N 1 2 336.436 2.145 20 30 EEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccnc3-c3ccccc3)C[C@H]21 ZINC000328725895 465110629 /nfs/dbraw/zinc/11/06/29/465110629.db2.gz BQOTUYFEDOGEHE-IAGOWNOFSA-N 1 2 338.411 2.309 20 30 EEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccnc3-c3ccccc3)C[C@H]21 ZINC000328725895 465110634 /nfs/dbraw/zinc/11/06/34/465110634.db2.gz BQOTUYFEDOGEHE-IAGOWNOFSA-N 1 2 338.411 2.309 20 30 EEEDLO C=C[C@@H]1CCCCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000356058552 465288629 /nfs/dbraw/zinc/28/86/29/465288629.db2.gz OZDLLHFYLVWPLW-HZPDHXFCSA-N 1 2 332.448 2.050 20 30 EEEDLO C=C[C@@H]1CCCCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000356058552 465288638 /nfs/dbraw/zinc/28/86/38/465288638.db2.gz OZDLLHFYLVWPLW-HZPDHXFCSA-N 1 2 332.448 2.050 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000356046260 465288716 /nfs/dbraw/zinc/28/87/16/465288716.db2.gz MYGZODSGBQSTBQ-QRQLOZEOSA-N 1 2 341.455 2.396 20 30 EEEDLO CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc3c[nH+]cn3c2)n1 ZINC000342331360 465310741 /nfs/dbraw/zinc/31/07/41/465310741.db2.gz AIOPKEAYSFVMAJ-GFCCVEGCSA-N 1 2 340.364 2.458 20 30 EEEDLO COCCn1cc2c(n1)[C@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)CCC2 ZINC000329487722 465350614 /nfs/dbraw/zinc/35/06/14/465350614.db2.gz GUMMDKOWWQEBCC-CZUORRHYSA-N 1 2 343.431 2.323 20 30 EEEDLO CC[N@H+](CCC#N)Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000127608113 462568463 /nfs/dbraw/zinc/56/84/63/462568463.db2.gz OYHUYFXULYWSKI-UHFFFAOYSA-N 1 2 345.443 2.432 20 30 EEEDLO CC[N@@H+](CCC#N)Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000127608113 462568464 /nfs/dbraw/zinc/56/84/64/462568464.db2.gz OYHUYFXULYWSKI-UHFFFAOYSA-N 1 2 345.443 2.432 20 30 EEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2nc3c(cc2C#N)COCC3)CC1 ZINC000590689911 468308077 /nfs/dbraw/zinc/30/80/77/468308077.db2.gz IDNNULZLTJZYSU-HNNXBMFYSA-N 1 2 349.438 2.304 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCCCO2)CC1 ZINC000491167617 468313453 /nfs/dbraw/zinc/31/34/53/468313453.db2.gz YYGUGHLSNJBGRH-SJORKVTESA-N 1 2 345.491 2.116 20 30 EEEDLO COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075553331 462729523 /nfs/dbraw/zinc/72/95/23/462729523.db2.gz LBHWSKGDXNRVSH-AWEZNQCLSA-N 1 2 340.383 2.075 20 30 EEEDLO COC(=O)C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000007636802 462742553 /nfs/dbraw/zinc/74/25/53/462742553.db2.gz FBWOTJBXTNIQTH-UHFFFAOYSA-N 1 2 335.791 2.035 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc4c3OCO4)CC2)cc1 ZINC000075765705 462758051 /nfs/dbraw/zinc/75/80/51/462758051.db2.gz YAHSAOMMPQSGBF-UHFFFAOYSA-N 1 2 349.390 2.245 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1C#N ZINC000065675091 462818289 /nfs/dbraw/zinc/81/82/89/462818289.db2.gz OWEDHOIGYAPBHR-NWDGAFQWSA-N 1 2 348.472 2.231 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc1C#N ZINC000065675091 462818292 /nfs/dbraw/zinc/81/82/92/462818292.db2.gz OWEDHOIGYAPBHR-NWDGAFQWSA-N 1 2 348.472 2.231 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743136 462819204 /nfs/dbraw/zinc/81/92/04/462819204.db2.gz QSNMPAFPONLTII-UHFFFAOYSA-N 1 2 346.431 2.141 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000066307744 462871970 /nfs/dbraw/zinc/87/19/70/462871970.db2.gz YGXLAIUEPHTCIZ-INIZCTEOSA-N 1 2 332.444 2.116 20 30 EEEDLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2nncs2)C1 ZINC000051051007 463017697 /nfs/dbraw/zinc/01/76/97/463017697.db2.gz GUSGAMKROHJBFM-VXGBXAGGSA-N 1 2 339.465 2.143 20 30 EEEDLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000051051007 463017701 /nfs/dbraw/zinc/01/77/01/463017701.db2.gz GUSGAMKROHJBFM-VXGBXAGGSA-N 1 2 339.465 2.143 20 30 EEEDLO CCc1ccc(O[C@H](C)C(=O)N2CC[NH+](CCCC#N)CC2)cc1 ZINC000120874556 463048979 /nfs/dbraw/zinc/04/89/79/463048979.db2.gz CEDFQKTVILZKSJ-MRXNPFEDSA-N 1 2 329.444 2.464 20 30 EEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)C[C@H]21 ZINC000134613290 463062631 /nfs/dbraw/zinc/06/26/31/463062631.db2.gz DCCIWBWJXAEIGQ-CVEARBPZSA-N 1 2 328.416 2.034 20 30 EEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)C[C@H]21 ZINC000134613290 463062634 /nfs/dbraw/zinc/06/26/34/463062634.db2.gz DCCIWBWJXAEIGQ-CVEARBPZSA-N 1 2 328.416 2.034 20 30 EEEDLO CCCNC(=O)C[N@H+](CCC)CC(=O)N(CCC#N)c1ccccc1 ZINC000052247009 463072043 /nfs/dbraw/zinc/07/20/43/463072043.db2.gz YVEUHCNZTOTFAF-UHFFFAOYSA-N 1 2 344.459 2.171 20 30 EEEDLO CCCNC(=O)C[N@@H+](CCC)CC(=O)N(CCC#N)c1ccccc1 ZINC000052247009 463072050 /nfs/dbraw/zinc/07/20/50/463072050.db2.gz YVEUHCNZTOTFAF-UHFFFAOYSA-N 1 2 344.459 2.171 20 30 EEEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc2c(c1)OCCO2 ZINC000023828938 463072802 /nfs/dbraw/zinc/07/28/02/463072802.db2.gz JYNKMQKLNPGCGY-UHFFFAOYSA-N 1 2 337.379 2.400 20 30 EEEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc2c(c1)OCCO2 ZINC000023828938 463072809 /nfs/dbraw/zinc/07/28/09/463072809.db2.gz JYNKMQKLNPGCGY-UHFFFAOYSA-N 1 2 337.379 2.400 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000052281664 463073615 /nfs/dbraw/zinc/07/36/15/463073615.db2.gz UKDUNMGGQGZTCH-KRWDZBQOSA-N 1 2 328.460 2.125 20 30 EEEDLO N#Cc1cc(F)ccc1NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000078254505 463095911 /nfs/dbraw/zinc/09/59/11/463095911.db2.gz ROMZDPJKIPNDPV-UHFFFAOYSA-N 1 2 330.407 2.054 20 30 EEEDLO CC(C)CCS(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000068461128 463139232 /nfs/dbraw/zinc/13/92/32/463139232.db2.gz GUHPSKCGZHVZDN-UHFFFAOYSA-N 1 2 335.473 2.052 20 30 EEEDLO C[C@H](C#N)CN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000079010138 463178741 /nfs/dbraw/zinc/17/87/41/463178741.db2.gz URANHTPSOPDQRB-DOMZBBRYSA-N 1 2 329.379 2.450 20 30 EEEDLO O=C([C@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1)N1CCOCC1 ZINC000158163349 463212164 /nfs/dbraw/zinc/21/21/64/463212164.db2.gz LBAGRWIQYAFNNS-GOSISDBHSA-N 1 2 346.858 2.405 20 30 EEEDLO O=C([C@H]1CCCC[N@@H+]1CC#Cc1cccc(Cl)c1)N1CCOCC1 ZINC000158163349 463212169 /nfs/dbraw/zinc/21/21/69/463212169.db2.gz LBAGRWIQYAFNNS-GOSISDBHSA-N 1 2 346.858 2.405 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000069357435 463234615 /nfs/dbraw/zinc/23/46/15/463234615.db2.gz HBKKJGMDTIMVFL-PKOBYXMFSA-N 1 2 346.471 2.466 20 30 EEEDLO CCc1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000080163975 463289894 /nfs/dbraw/zinc/28/98/94/463289894.db2.gz WSLPAUUTFSGXDS-UHFFFAOYSA-N 1 2 330.432 2.329 20 30 EEEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@H](C)[NH+]2CCSCC2)cc1 ZINC000151298089 463509388 /nfs/dbraw/zinc/50/93/88/463509388.db2.gz HVWZYQPGRZAIHU-ZDUSSCGKSA-N 1 2 348.472 2.370 20 30 EEEDLO C=CCNC(=O)CSc1nnc([C@@H](CC)[NH+](C)C)n1CCCC ZINC000058165681 463546837 /nfs/dbraw/zinc/54/68/37/463546837.db2.gz HLRWOMFRUWHXJD-CYBMUJFWSA-N 1 2 339.509 2.485 20 30 EEEDLO Cc1ccc(C)c(N2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000164709842 463630902 /nfs/dbraw/zinc/63/09/02/463630902.db2.gz GQYSNVQNPVQINP-FQEVSTJZSA-N 1 2 342.487 2.480 20 30 EEEDLO CC[N@@H+](CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)C[C@H](C)C#N ZINC000060038274 463648059 /nfs/dbraw/zinc/64/80/59/463648059.db2.gz LATAMLFHQCORNC-KGLIPLIRSA-N 1 2 333.432 2.363 20 30 EEEDLO CC[N@H+](CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)C[C@H](C)C#N ZINC000060038274 463648066 /nfs/dbraw/zinc/64/80/66/463648066.db2.gz LATAMLFHQCORNC-KGLIPLIRSA-N 1 2 333.432 2.363 20 30 EEEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152446491 463692013 /nfs/dbraw/zinc/69/20/13/463692013.db2.gz NQQYNJPRUCSMTF-ZBFHGGJFSA-N 1 2 336.395 2.116 20 30 EEEDLO CCOC1CC(C/N=C/c2cccc(OC)c2O)([NH+]2CCOCC2)C1 ZINC000193738402 463735398 /nfs/dbraw/zinc/73/53/98/463735398.db2.gz UXIQIWBLKXEIMI-DEDYPNTBSA-N 1 2 348.443 2.090 20 30 EEEDLO N#Cc1ccnc(N2CCC[N@H+](Cc3cscn3)CC2)c1[N+](=O)[O-] ZINC000268530726 463782894 /nfs/dbraw/zinc/78/28/94/463782894.db2.gz XEJQBRBTAVQZFL-UHFFFAOYSA-N 1 2 344.400 2.030 20 30 EEEDLO N#Cc1ccnc(N2CCC[N@@H+](Cc3cscn3)CC2)c1[N+](=O)[O-] ZINC000268530726 463782902 /nfs/dbraw/zinc/78/29/02/463782902.db2.gz XEJQBRBTAVQZFL-UHFFFAOYSA-N 1 2 344.400 2.030 20 30 EEEDLO C=CCCS(=O)(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000276973747 463827144 /nfs/dbraw/zinc/82/71/44/463827144.db2.gz DWAGITDYSCBADE-MRXNPFEDSA-N 1 2 340.514 2.100 20 30 EEEDLO C=CCCS(=O)(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000276973747 463827146 /nfs/dbraw/zinc/82/71/46/463827146.db2.gz DWAGITDYSCBADE-MRXNPFEDSA-N 1 2 340.514 2.100 20 30 EEEDLO CCc1nnc(CO[NH+]=C(N)c2cc(Cl)c(OC)c(OC)c2)o1 ZINC000269431622 463983648 /nfs/dbraw/zinc/98/36/48/463983648.db2.gz PWXTZBIDZPLMID-UHFFFAOYSA-N 1 2 340.767 2.140 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278859855 464000707 /nfs/dbraw/zinc/00/07/07/464000707.db2.gz MXGRLWYHGXXPFQ-CABCVRRESA-N 1 2 348.422 2.072 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278859855 464000715 /nfs/dbraw/zinc/00/07/15/464000715.db2.gz MXGRLWYHGXXPFQ-CABCVRRESA-N 1 2 348.422 2.072 20 30 EEEDLO NC(=[NH+]OCc1nn(-c2ccccc2)c2c1CCC2)[C@@H]1CCCO1 ZINC000283957187 464053704 /nfs/dbraw/zinc/05/37/04/464053704.db2.gz FXMZNKQVOWTCHQ-KRWDZBQOSA-N 1 2 326.400 2.329 20 30 EEEDLO Cc1cnn([C@@H]2CC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)c1 ZINC000289699915 464090269 /nfs/dbraw/zinc/09/02/69/464090269.db2.gz BSHWBDMDCOSLGW-HUUCEWRRSA-N 1 2 341.440 2.177 20 30 EEEDLO Cc1cnn([C@@H]2CC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)c1 ZINC000289699915 464090275 /nfs/dbraw/zinc/09/02/75/464090275.db2.gz BSHWBDMDCOSLGW-HUUCEWRRSA-N 1 2 341.440 2.177 20 30 EEEDLO C#CCSCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279371496 464093893 /nfs/dbraw/zinc/09/38/93/464093893.db2.gz FCROGXCYSMVLSI-UHFFFAOYSA-N 1 2 346.500 2.475 20 30 EEEDLO CC(C)Oc1ccc(CO[NH+]=C(N)CN2CCOCC2)cc1Cl ZINC000187100464 464098211 /nfs/dbraw/zinc/09/82/11/464098211.db2.gz DFNPJKCQAKOYFQ-UHFFFAOYSA-N 1 2 341.839 2.248 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1)OCC ZINC000270096640 464185777 /nfs/dbraw/zinc/18/57/77/464185777.db2.gz YKPKULVMGRLSOF-MRXNPFEDSA-N 1 2 337.489 2.467 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000280691588 464232799 /nfs/dbraw/zinc/23/27/99/464232799.db2.gz FSXPTQUPROWCQI-MPGHIAIKSA-N 1 2 332.448 2.078 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000280691588 464232808 /nfs/dbraw/zinc/23/28/08/464232808.db2.gz FSXPTQUPROWCQI-MPGHIAIKSA-N 1 2 332.448 2.078 20 30 EEEDLO NC(=[NH+]O[C@H]1CCCN(c2ccccc2Cl)C1=O)[C@@H]1CCCO1 ZINC000284612864 464263047 /nfs/dbraw/zinc/26/30/47/464263047.db2.gz ZCKJHGYJTNFKKD-KBPBESRZSA-N 1 2 337.807 2.303 20 30 EEEDLO CC(C)[C@H](CNC(=O)CSc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000264022508 464271869 /nfs/dbraw/zinc/27/18/69/464271869.db2.gz SCICXKSPCWXPOX-KRWDZBQOSA-N 1 2 347.484 2.123 20 30 EEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)Cc1[nH+]ccn1C ZINC000271056064 464278094 /nfs/dbraw/zinc/27/80/94/464278094.db2.gz ZGRWVJARZDFKTN-CSLYMUCUSA-N 1 2 331.464 2.171 20 30 EEEDLO C#C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)C(C)C ZINC000280988683 464289345 /nfs/dbraw/zinc/28/93/45/464289345.db2.gz IXRZOQXCFLBMSB-CHWSQXEVSA-N 1 2 327.197 2.362 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nc3c(cccc3F)n2CC)C1=O ZINC000281178086 464362207 /nfs/dbraw/zinc/36/22/07/464362207.db2.gz ARRCYAUEGWEUOB-HNNXBMFYSA-N 1 2 330.407 2.414 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nc3c(cccc3F)n2CC)C1=O ZINC000281178086 464362214 /nfs/dbraw/zinc/36/22/14/464362214.db2.gz ARRCYAUEGWEUOB-HNNXBMFYSA-N 1 2 330.407 2.414 20 30 EEEDLO CC(C)[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CCCO1 ZINC000293309604 464398507 /nfs/dbraw/zinc/39/85/07/464398507.db2.gz WXYLJHKVXNYVQR-QGZVFWFLSA-N 1 2 336.457 2.079 20 30 EEEDLO CC(C)[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CCCO1 ZINC000293309604 464398516 /nfs/dbraw/zinc/39/85/16/464398516.db2.gz WXYLJHKVXNYVQR-QGZVFWFLSA-N 1 2 336.457 2.079 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C)c2C)C1=O ZINC000281314744 464412429 /nfs/dbraw/zinc/41/24/29/464412429.db2.gz KUBFEWRSGSJTPI-RDJZCZTQSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2cccc(C)c2C)C1=O ZINC000281314744 464412435 /nfs/dbraw/zinc/41/24/35/464412435.db2.gz KUBFEWRSGSJTPI-RDJZCZTQSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCCN(c3ccccc3F)C2=O)C1=O ZINC000281423977 464450345 /nfs/dbraw/zinc/45/03/45/464450345.db2.gz RWBJQKRCLDJPHB-IRXDYDNUSA-N 1 2 345.418 2.040 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(c3ccccc3F)C2=O)C1=O ZINC000281423977 464450349 /nfs/dbraw/zinc/45/03/49/464450349.db2.gz RWBJQKRCLDJPHB-IRXDYDNUSA-N 1 2 345.418 2.040 20 30 EEEDLO Cc1cc(NC(=O)NCc2cn3c(cccc3C)[nH+]2)nn1CCC#N ZINC000272087066 464475225 /nfs/dbraw/zinc/47/52/25/464475225.db2.gz MMGJMPVWQXMWSC-UHFFFAOYSA-N 1 2 337.387 2.383 20 30 EEEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000175389566 464538007 /nfs/dbraw/zinc/53/80/07/464538007.db2.gz UVHFDKXVYGXNFJ-XQNYSFAXSA-N 1 2 347.484 2.225 20 30 EEEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000175389566 464538012 /nfs/dbraw/zinc/53/80/12/464538012.db2.gz UVHFDKXVYGXNFJ-XQNYSFAXSA-N 1 2 347.484 2.225 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000281770478 464578350 /nfs/dbraw/zinc/57/83/50/464578350.db2.gz JNXHMXVFANQPMZ-RHSMWYFYSA-N 1 2 328.416 2.423 20 30 EEEDLO N#CCCn1cc(C[N@@H+]2CCn3ncnc3C2)c(-c2ccccc2)n1 ZINC000546735659 468409891 /nfs/dbraw/zinc/40/98/91/468409891.db2.gz CFHPQCIZTVDLMZ-UHFFFAOYSA-N 1 2 333.399 2.071 20 30 EEEDLO N#CCCn1cc(C[N@H+]2CCn3ncnc3C2)c(-c2ccccc2)n1 ZINC000546735659 468409898 /nfs/dbraw/zinc/40/98/98/468409898.db2.gz CFHPQCIZTVDLMZ-UHFFFAOYSA-N 1 2 333.399 2.071 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000175608027 464585462 /nfs/dbraw/zinc/58/54/62/464585462.db2.gz BRKNHFCHHNWONR-UHFFFAOYSA-N 1 2 347.434 2.056 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)C1=O ZINC000281940584 464643162 /nfs/dbraw/zinc/64/31/62/464643162.db2.gz ITVGHCJHKQASTN-MRXNPFEDSA-N 1 2 333.407 2.262 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)C1=O ZINC000281940584 464643168 /nfs/dbraw/zinc/64/31/68/464643168.db2.gz ITVGHCJHKQASTN-MRXNPFEDSA-N 1 2 333.407 2.262 20 30 EEEDLO C#CCSCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000265735431 464666852 /nfs/dbraw/zinc/66/68/52/464666852.db2.gz CJBLLOKBNSRASV-HNNXBMFYSA-N 1 2 346.431 2.314 20 30 EEEDLO C=C(C)CN(C)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000182844439 464741775 /nfs/dbraw/zinc/74/17/75/464741775.db2.gz HCWSJUHBFYDWNL-GOSISDBHSA-N 1 2 331.460 2.147 20 30 EEEDLO COC(=O)c1cnoc1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000286102339 464804721 /nfs/dbraw/zinc/80/47/21/464804721.db2.gz UVWMJXRCIMSXHM-UHFFFAOYSA-N 1 2 341.367 2.376 20 30 EEEDLO CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177058489 464918948 /nfs/dbraw/zinc/91/89/48/464918948.db2.gz SKASYSLSALRINQ-AWEZNQCLSA-N 1 2 348.472 2.023 20 30 EEEDLO CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177058489 464918951 /nfs/dbraw/zinc/91/89/51/464918951.db2.gz SKASYSLSALRINQ-AWEZNQCLSA-N 1 2 348.472 2.023 20 30 EEEDLO COC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177105390 464931708 /nfs/dbraw/zinc/93/17/08/464931708.db2.gz BBLFIKKVQBYVIO-LBPRGKRZSA-N 1 2 335.429 2.060 20 30 EEEDLO COC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177105390 464931713 /nfs/dbraw/zinc/93/17/13/464931713.db2.gz BBLFIKKVQBYVIO-LBPRGKRZSA-N 1 2 335.429 2.060 20 30 EEEDLO N#Cc1csc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000177416227 465008751 /nfs/dbraw/zinc/00/87/51/465008751.db2.gz GILFUSANIQDNNJ-UHFFFAOYSA-N 1 2 341.436 2.382 20 30 EEEDLO CC[C@@]1(C)Oc2ccc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)cc2O1 ZINC000329505094 465356472 /nfs/dbraw/zinc/35/64/72/465356472.db2.gz ILEWMLSMVBWGLO-XCRHUMRWSA-N 1 2 347.415 2.144 20 30 EEEDLO CC[C@@]1(C)Oc2ccc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)cc2O1 ZINC000329505094 465356475 /nfs/dbraw/zinc/35/64/75/465356475.db2.gz ILEWMLSMVBWGLO-XCRHUMRWSA-N 1 2 347.415 2.144 20 30 EEEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CCSc3ccccc32)CC1 ZINC000329599336 465382650 /nfs/dbraw/zinc/38/26/50/465382650.db2.gz JTNKNXJCOCVQLT-INIZCTEOSA-N 1 2 347.484 2.387 20 30 EEEDLO CCc1cccc2c1OCC[C@H]2NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329608336 465386068 /nfs/dbraw/zinc/38/60/68/465386068.db2.gz NBVVQHZWAHOIMY-IXDOHACOSA-N 1 2 345.443 2.001 20 30 EEEDLO CCc1cccc2c1OCC[C@H]2NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329608336 465386072 /nfs/dbraw/zinc/38/60/72/465386072.db2.gz NBVVQHZWAHOIMY-IXDOHACOSA-N 1 2 345.443 2.001 20 30 EEEDLO CCN(C(=O)NCC1([NH+]2CCOCC2)CC1)[C@H]1CCOC(C)(C)C1 ZINC000329676151 465403673 /nfs/dbraw/zinc/40/36/73/465403673.db2.gz USICZWKLHUUWLP-HNNXBMFYSA-N 1 2 339.480 2.045 20 30 EEEDLO C[C@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC(=O)c1ccc(C#N)cc1 ZINC000348071255 465405422 /nfs/dbraw/zinc/40/54/22/465405422.db2.gz JNAQKNUVEYSUKM-WMLDXEAASA-N 1 2 348.406 2.025 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3ccncc3)CC2)cc1 ZINC000298497725 465411962 /nfs/dbraw/zinc/41/19/62/465411962.db2.gz HAVMUQFUDQRZKT-UHFFFAOYSA-N 1 2 334.423 2.230 20 30 EEEDLO CCN1CCN(C(=O)NC[C@H](C)c2nccs2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329972169 465492088 /nfs/dbraw/zinc/49/20/88/465492088.db2.gz VZDQATATLAGGBL-QWHCGFSZSA-N 1 2 348.476 2.263 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000352325515 465516586 /nfs/dbraw/zinc/51/65/86/465516586.db2.gz SZBWMHQZIYEISM-WMZOPIPTSA-N 1 2 343.471 2.363 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000352325515 465516589 /nfs/dbraw/zinc/51/65/89/465516589.db2.gz SZBWMHQZIYEISM-WMZOPIPTSA-N 1 2 343.471 2.363 20 30 EEEDLO CCCCNC(=O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348325322 465552024 /nfs/dbraw/zinc/55/20/24/465552024.db2.gz GURITQJFZJYVHW-QGZVFWFLSA-N 1 2 348.878 2.439 20 30 EEEDLO C=CCNC(=O)c1ccc(NCc2cccc(-n3cc[nH+]c3)c2)nc1 ZINC000360357315 465559071 /nfs/dbraw/zinc/55/90/71/465559071.db2.gz ZSRARMFOIINOHK-UHFFFAOYSA-N 1 2 333.395 2.795 20 30 EEEDLO Cc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1OC(C)C ZINC000330194859 465563836 /nfs/dbraw/zinc/56/38/36/465563836.db2.gz OXZNMAWSXLULTK-WBVHZDCISA-N 1 2 333.432 2.343 20 30 EEEDLO Cc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1OC(C)C ZINC000330194859 465563839 /nfs/dbraw/zinc/56/38/39/465563839.db2.gz OXZNMAWSXLULTK-WBVHZDCISA-N 1 2 333.432 2.343 20 30 EEEDLO CC(C)CCn1cc(C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)nn1 ZINC000330334690 465618528 /nfs/dbraw/zinc/61/85/28/465618528.db2.gz QVJRALGVVYFLHX-CZUORRHYSA-N 1 2 346.435 2.283 20 30 EEEDLO CCc1nc(CNC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cs1 ZINC000330338462 465621357 /nfs/dbraw/zinc/62/13/57/465621357.db2.gz VKXMYGXKDQHQME-BXUZGUMPSA-N 1 2 349.460 2.363 20 30 EEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1CC(=O)NC(=O)NCC(C)C ZINC000330451550 465665161 /nfs/dbraw/zinc/66/51/61/465665161.db2.gz KFARZKIOMCKQTG-CQSZACIVSA-N 1 2 335.452 2.116 20 30 EEEDLO C[C@@H](C(=O)N(C)CC(C)(C)C#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000353214153 465720797 /nfs/dbraw/zinc/72/07/97/465720797.db2.gz QVWJBQIOSGEHAI-HNNXBMFYSA-N 1 2 346.450 2.344 20 30 EEEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000362487352 465776532 /nfs/dbraw/zinc/77/65/32/465776532.db2.gz UHKSAZDJYSXJFR-UHFFFAOYSA-N 1 2 331.391 2.317 20 30 EEEDLO N#Cc1cnc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000338122840 465833534 /nfs/dbraw/zinc/83/35/34/465833534.db2.gz HFMBIOXSIMRWBU-LBPRGKRZSA-N 1 2 327.775 2.010 20 30 EEEDLO C#CCC[NH+]1CCN([C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000299723119 465869720 /nfs/dbraw/zinc/86/97/20/465869720.db2.gz SXMLRKSWLNXIQX-HNNXBMFYSA-N 1 2 329.444 2.046 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000366702276 465886058 /nfs/dbraw/zinc/88/60/58/465886058.db2.gz MXMZRGULCUIAOS-USXIJHARSA-N 1 2 331.416 2.226 20 30 EEEDLO Cc1nc(NCc2cccc(C(=O)N[C@H](C#N)C(C)(C)C)c2)cc[nH+]1 ZINC000348961469 465891499 /nfs/dbraw/zinc/89/14/99/465891499.db2.gz FLGAQEKKUHLYNR-MRXNPFEDSA-N 1 2 337.427 3.065 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000366727091 465900191 /nfs/dbraw/zinc/90/01/91/465900191.db2.gz MBYJWSIEQCGBCQ-PBHICJAKSA-N 1 2 332.448 2.042 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000366727093 465900824 /nfs/dbraw/zinc/90/08/24/465900824.db2.gz MBYJWSIEQCGBCQ-WMLDXEAASA-N 1 2 332.448 2.042 20 30 EEEDLO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CC(C)(C)OC[C@@H]2C)c1 ZINC000331128523 465946046 /nfs/dbraw/zinc/94/60/46/465946046.db2.gz RZAROEDTTBKJBA-ZDUSSCGKSA-N 1 2 333.432 2.449 20 30 EEEDLO CCNC(=O)c1cccc(NC(=O)C[N@H+]2CC(C)(C)OC[C@@H]2C)c1 ZINC000331128523 465946055 /nfs/dbraw/zinc/94/60/55/465946055.db2.gz RZAROEDTTBKJBA-ZDUSSCGKSA-N 1 2 333.432 2.449 20 30 EEEDLO N#Cc1cncc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000357382013 465992683 /nfs/dbraw/zinc/99/26/83/465992683.db2.gz FDVZMVIIMCPMCV-UHFFFAOYSA-N 1 2 343.343 2.079 20 30 EEEDLO CC(C)(C#N)c1ccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000331331180 466035286 /nfs/dbraw/zinc/03/52/86/466035286.db2.gz HMXBAUGKMSFPIP-UHFFFAOYSA-N 1 2 329.444 2.328 20 30 EEEDLO CN(C)C(=O)Nc1cccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1 ZINC000331358549 466047477 /nfs/dbraw/zinc/04/74/77/466047477.db2.gz VIGMFILSXJAWLW-UHFFFAOYSA-N 1 2 348.447 2.209 20 30 EEEDLO C#C[C@@H](NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1)C(C)C ZINC000366991925 466059399 /nfs/dbraw/zinc/05/93/99/466059399.db2.gz VCEAUSVUDPASIX-SJORKVTESA-N 1 2 340.427 2.475 20 30 EEEDLO C[C@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)c1ccc(C#N)cc1 ZINC000338361410 466060439 /nfs/dbraw/zinc/06/04/39/466060439.db2.gz SHGZWGWTMMIPMG-LBPRGKRZSA-N 1 2 340.408 2.231 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000346374938 466092296 /nfs/dbraw/zinc/09/22/96/466092296.db2.gz IQIXSBKCIFBUGE-LJQANCHMSA-N 1 2 327.428 2.459 20 30 EEEDLO CCN(CC)c1ccc(CNS(=O)(=O)CC2(CC#N)CC2)c[nH+]1 ZINC000346479491 466103012 /nfs/dbraw/zinc/10/30/12/466103012.db2.gz FWCHMTWQOLDSSK-UHFFFAOYSA-N 1 2 336.461 2.041 20 30 EEEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1-c1cccc(Cl)c1 ZINC000580452611 468478274 /nfs/dbraw/zinc/47/82/74/468478274.db2.gz AHMMIETVKMLFRT-KRWDZBQOSA-N 1 2 345.834 2.408 20 30 EEEDLO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000346886209 466224993 /nfs/dbraw/zinc/22/49/93/466224993.db2.gz OJUSDCPZZRMWBL-UHFFFAOYSA-N 1 2 346.862 2.333 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338627184 466271634 /nfs/dbraw/zinc/27/16/34/466271634.db2.gz VIQNBERWILHGGW-XJKSGUPXSA-N 1 2 326.437 2.058 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@](F)(CO)C1 ZINC000338627184 466271641 /nfs/dbraw/zinc/27/16/41/466271641.db2.gz VIQNBERWILHGGW-XJKSGUPXSA-N 1 2 326.437 2.058 20 30 EEEDLO N#CC1(NC(=O)C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)CCC1 ZINC000347093205 466386888 /nfs/dbraw/zinc/38/68/88/466386888.db2.gz QTUDZRLGBGQUDR-LBPRGKRZSA-N 1 2 342.226 2.179 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000340921308 466437593 /nfs/dbraw/zinc/43/75/93/466437593.db2.gz FREJJADGOKMKSG-MCIONIFRSA-N 1 2 333.457 2.332 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000340921308 466437599 /nfs/dbraw/zinc/43/75/99/466437599.db2.gz FREJJADGOKMKSG-MCIONIFRSA-N 1 2 333.457 2.332 20 30 EEEDLO Cc1cc(N2CCCO[C@H](C)C2)c(C#N)c(N2CCCO[C@H](C)C2)[nH+]1 ZINC000408518661 466673722 /nfs/dbraw/zinc/67/37/22/466673722.db2.gz SPEUQSVHXWALBG-HZPDHXFCSA-N 1 2 344.459 2.492 20 30 EEEDLO C=CCC1(C(=O)N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)CCC1 ZINC000364473632 466702162 /nfs/dbraw/zinc/70/21/62/466702162.db2.gz AQHNQNSZDADUDW-UHFFFAOYSA-N 1 2 335.492 2.182 20 30 EEEDLO C=CCC1(C(=O)N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)CCC1 ZINC000364473632 466702165 /nfs/dbraw/zinc/70/21/65/466702165.db2.gz AQHNQNSZDADUDW-UHFFFAOYSA-N 1 2 335.492 2.182 20 30 EEEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)NCc2cccs2)CC1 ZINC000369206061 466719609 /nfs/dbraw/zinc/71/96/09/466719609.db2.gz LYOINFSPIXQHBF-UHFFFAOYSA-N 1 2 340.452 2.317 20 30 EEEDLO C[C@H](C#N)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000416440438 466734827 /nfs/dbraw/zinc/73/48/27/466734827.db2.gz OVJILXVEXZLCBU-FZQKWOKYSA-N 1 2 345.827 2.056 20 30 EEEDLO C[C@H](C#N)S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000416440438 466734830 /nfs/dbraw/zinc/73/48/30/466734830.db2.gz OVJILXVEXZLCBU-FZQKWOKYSA-N 1 2 345.827 2.056 20 30 EEEDLO COC[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccco1 ZINC000411513043 466839425 /nfs/dbraw/zinc/83/94/25/466839425.db2.gz OCPYSQFRDQOODA-CVEARBPZSA-N 1 2 325.368 2.234 20 30 EEEDLO Cc1cc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)nn1CCC#N ZINC000425227822 467089330 /nfs/dbraw/zinc/08/93/30/467089330.db2.gz JGQNGSGTQFBWJW-MRXNPFEDSA-N 1 2 348.410 2.989 20 30 EEEDLO C=CCn1c(SCC[N@H+]2CCOC[C@@H]2C)nnc1-c1cccnc1 ZINC000412984316 467152447 /nfs/dbraw/zinc/15/24/47/467152447.db2.gz BTXDOGIPIQYADI-AWEZNQCLSA-N 1 2 345.472 2.339 20 30 EEEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@@H]2C)nnc1-c1cccnc1 ZINC000412984316 467152451 /nfs/dbraw/zinc/15/24/51/467152451.db2.gz BTXDOGIPIQYADI-AWEZNQCLSA-N 1 2 345.472 2.339 20 30 EEEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439456195 467567208 /nfs/dbraw/zinc/56/72/08/467567208.db2.gz XLHBTCZCCOQURM-GWCFXTLKSA-N 1 2 345.212 2.419 20 30 EEEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439456195 467567210 /nfs/dbraw/zinc/56/72/10/467567210.db2.gz XLHBTCZCCOQURM-GWCFXTLKSA-N 1 2 345.212 2.419 20 30 EEEDLO CCOc1ccc2c(c1)CC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)C2 ZINC000441085781 467571552 /nfs/dbraw/zinc/57/15/52/467571552.db2.gz FDNRFGSMOPZINA-HNNXBMFYSA-N 1 2 329.444 2.452 20 30 EEEDLO CCOc1ccc2c(c1)CC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)C2 ZINC000441085781 467571554 /nfs/dbraw/zinc/57/15/54/467571554.db2.gz FDNRFGSMOPZINA-HNNXBMFYSA-N 1 2 329.444 2.452 20 30 EEEDLO Cc1cc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccn1 ZINC000455217791 467649195 /nfs/dbraw/zinc/64/91/95/467649195.db2.gz HQOABADXDSHAMD-UHFFFAOYSA-N 1 2 349.438 2.289 20 30 EEEDLO CCn1cc[nH+]c1/C=C\C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000492534993 467666898 /nfs/dbraw/zinc/66/68/98/467666898.db2.gz NUZCLLCKFXGZOD-FPLPWBNLSA-N 1 2 335.411 2.137 20 30 EEEDLO C=CCOC(=O)N1CCC(OC(=O)/C=C\c2[nH+]ccn2CC)CC1 ZINC000496615690 467676671 /nfs/dbraw/zinc/67/66/71/467676671.db2.gz FRIBCVFYGQCBFO-WAYWQWQTSA-N 1 2 333.388 2.246 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3ncc(C#N)cn3)C[C@@H]2C1 ZINC000496756225 467711830 /nfs/dbraw/zinc/71/18/30/467711830.db2.gz IOXGLAMDXVLKBW-HUUCEWRRSA-N 1 2 343.431 2.037 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@H]2CC[N@@H+](Cc3ncc(C#N)cn3)C[C@@H]2C1 ZINC000496756225 467711835 /nfs/dbraw/zinc/71/18/35/467711835.db2.gz IOXGLAMDXVLKBW-HUUCEWRRSA-N 1 2 343.431 2.037 20 30 EEEDLO C=CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000492759264 467741869 /nfs/dbraw/zinc/74/18/69/467741869.db2.gz BTIFSXWTAKWJLC-DANTVBBOSA-N 1 2 349.398 2.174 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ncc(C#N)cn2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000497020735 467789873 /nfs/dbraw/zinc/78/98/73/467789873.db2.gz WLMCEKVBDYVFTA-OCCSQVGLSA-N 1 2 331.420 2.083 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ncc(C#N)cn2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000497020735 467789876 /nfs/dbraw/zinc/78/98/76/467789876.db2.gz WLMCEKVBDYVFTA-OCCSQVGLSA-N 1 2 331.420 2.083 20 30 EEEDLO C=CCc1ccc(OCC(=O)N2CC(n3cc[nH+]c3)C2)c(OC)c1 ZINC000516674927 468041944 /nfs/dbraw/zinc/04/19/44/468041944.db2.gz SEJSCAAZVRUFII-UHFFFAOYSA-N 1 2 327.384 2.083 20 30 EEEDLO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000516879404 468053372 /nfs/dbraw/zinc/05/33/72/468053372.db2.gz IJPUITOMUASKML-UHFFFAOYSA-N 1 2 349.442 2.176 20 30 EEEDLO CC1CC(C#N)(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)C1 ZINC000532616036 468126859 /nfs/dbraw/zinc/12/68/59/468126859.db2.gz KXCASFBPWCMHBE-UHFFFAOYSA-N 1 2 339.399 2.278 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CC(=O)NCc1ccccc1 ZINC000576744365 468171394 /nfs/dbraw/zinc/17/13/94/468171394.db2.gz JJAAIXUBZGRQBC-INIZCTEOSA-N 1 2 331.460 2.048 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000576744365 468171398 /nfs/dbraw/zinc/17/13/98/468171398.db2.gz JJAAIXUBZGRQBC-INIZCTEOSA-N 1 2 331.460 2.048 20 30 EEEDLO C=CCn1c(N2CC[NH+](Cc3ccccn3)CC2)nnc1C(C)(C)C ZINC000577889625 468193446 /nfs/dbraw/zinc/19/34/46/468193446.db2.gz DIUMJTOAWMLGBB-UHFFFAOYSA-N 1 2 340.475 2.479 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1cccc(Br)c1 ZINC000577956009 468194825 /nfs/dbraw/zinc/19/48/25/468194825.db2.gz OLOPSTVQROUDOC-OAHLLOKOSA-N 1 2 338.249 2.342 20 30 EEEDLO CC[C@H](NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccc(Cl)cc1 ZINC000592146074 468636497 /nfs/dbraw/zinc/63/64/97/468636497.db2.gz COGFEJRJMNKDHZ-DOTOQJQBSA-N 1 2 335.835 2.258 20 30 EEEDLO CC[C@H](NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccc(Cl)cc1 ZINC000592146074 468636501 /nfs/dbraw/zinc/63/65/01/468636501.db2.gz COGFEJRJMNKDHZ-DOTOQJQBSA-N 1 2 335.835 2.258 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147506 468637934 /nfs/dbraw/zinc/63/79/34/468637934.db2.gz PIACAYZKJWMGNC-IAQYHMDHSA-N 1 2 341.333 2.383 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147506 468637939 /nfs/dbraw/zinc/63/79/39/468637939.db2.gz PIACAYZKJWMGNC-IAQYHMDHSA-N 1 2 341.333 2.383 20 30 EEEDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149066 468638348 /nfs/dbraw/zinc/63/83/48/468638348.db2.gz IBONEEWEPVXIRC-BDJLRTHQSA-N 1 2 343.343 2.056 20 30 EEEDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149066 468638352 /nfs/dbraw/zinc/63/83/52/468638352.db2.gz IBONEEWEPVXIRC-BDJLRTHQSA-N 1 2 343.343 2.056 20 30 EEEDLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150676 468639945 /nfs/dbraw/zinc/63/99/45/468639945.db2.gz GGLWUTGOQMUZEP-IFXJQAMLSA-N 1 2 341.411 2.303 20 30 EEEDLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150676 468639951 /nfs/dbraw/zinc/63/99/51/468639951.db2.gz GGLWUTGOQMUZEP-IFXJQAMLSA-N 1 2 341.411 2.303 20 30 EEEDLO N#Cc1cccc(-n2cc(C[NH+]3CCN(c4ccccc4)CC3)nn2)c1 ZINC000594652513 468643672 /nfs/dbraw/zinc/64/36/72/468643672.db2.gz SGFPEXKOBQIVHN-UHFFFAOYSA-N 1 2 344.422 2.461 20 30 EEEDLO N#Cc1ccc(CCNC(=O)c2ccccc2C[NH+]2CCOCC2)cc1 ZINC000597893907 468705322 /nfs/dbraw/zinc/70/53/22/468705322.db2.gz UCIXOURCJCQVGW-UHFFFAOYSA-N 1 2 349.434 2.363 20 30 EEEDLO Cc1cc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)nc(C)n1 ZINC000595358356 468824416 /nfs/dbraw/zinc/82/44/16/468824416.db2.gz URMBITFYJAALOS-UHFFFAOYSA-N 1 2 338.415 2.153 20 30 EEEDLO Cc1nc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)sc1SCC#N ZINC000592946900 468826239 /nfs/dbraw/zinc/82/62/39/468826239.db2.gz KORIFLZQEHEXNH-JTQLQIEISA-N 1 2 333.442 2.465 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000595393570 468837620 /nfs/dbraw/zinc/83/76/20/468837620.db2.gz SCVZOACGEQBQSO-KRWDZBQOSA-N 1 2 341.436 2.111 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000595393570 468837622 /nfs/dbraw/zinc/83/76/22/468837622.db2.gz SCVZOACGEQBQSO-KRWDZBQOSA-N 1 2 341.436 2.111 20 30 EEEDLO Cc1csc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1Br ZINC000593153215 468888588 /nfs/dbraw/zinc/88/85/88/468888588.db2.gz OXDYXQGPKXJNGU-GFCCVEGCSA-N 1 2 330.251 2.393 20 30 EEEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000595609544 468920248 /nfs/dbraw/zinc/92/02/48/468920248.db2.gz MCGXGUQPLMMETI-OAHLLOKOSA-N 1 2 340.427 2.378 20 30 EEEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000595609544 468920252 /nfs/dbraw/zinc/92/02/52/468920252.db2.gz MCGXGUQPLMMETI-OAHLLOKOSA-N 1 2 340.427 2.378 20 30 EEEDLO CC(C)(C#N)CCS(=O)(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000572683934 468969849 /nfs/dbraw/zinc/96/98/49/468969849.db2.gz NSGZZZDBGWJRGZ-UHFFFAOYSA-N 1 2 346.456 2.291 20 30 EEEDLO C[C@H](CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000610473536 468976730 /nfs/dbraw/zinc/97/67/30/468976730.db2.gz AKMOFHZFVYAKCW-QAPCUYQASA-N 1 2 337.427 2.176 20 30 EEEDLO CC[C@H](C#N)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000593571288 469041096 /nfs/dbraw/zinc/04/10/96/469041096.db2.gz REGJLTBUGGULCC-DAXOMENPSA-N 1 2 335.835 2.378 20 30 EEEDLO CC[C@H](C#N)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000593571288 469041100 /nfs/dbraw/zinc/04/11/00/469041100.db2.gz REGJLTBUGGULCC-DAXOMENPSA-N 1 2 335.835 2.378 20 30 EEEDLO CC(C)(C(=O)N[C@H]1CCn2c[nH+]cc2C1)c1cc(F)cc(C#N)c1 ZINC000598947799 469062828 /nfs/dbraw/zinc/06/28/28/469062828.db2.gz NCVWJEDHXZBIPQ-HNNXBMFYSA-N 1 2 326.375 2.303 20 30 EEEDLO COC(=O)[C@H](Cc1ccccc1)[NH2+]CCCC1(C#N)CCOCC1 ZINC000602879732 469139019 /nfs/dbraw/zinc/13/90/19/469139019.db2.gz ZEHBMGPWFZTLEE-KRWDZBQOSA-N 1 2 330.428 2.461 20 30 EEEDLO CCc1nc(C#N)cc(Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)n1 ZINC000596080345 469144684 /nfs/dbraw/zinc/14/46/84/469144684.db2.gz IFCJQKYQWQYRCY-STQMWFEESA-N 1 2 338.415 2.663 20 30 EEEDLO Cc1ccc(F)c(N2CCC[C@H]([NH+]3CCN(CCC#N)CC3)C2=O)c1 ZINC000611175006 469181525 /nfs/dbraw/zinc/18/15/25/469181525.db2.gz RJSRVTNWDVZKLD-KRWDZBQOSA-N 1 2 344.434 2.161 20 30 EEEDLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCN(CCC#N)CC1 ZINC000611174655 469181967 /nfs/dbraw/zinc/18/19/67/469181967.db2.gz OBJZJSCDEOOMFK-CVEARBPZSA-N 1 2 346.500 2.331 20 30 EEEDLO CSc1cccc(NC(=O)[C@H](C)[NH+]2CCN(CCC#N)CC2)c1 ZINC000611174322 469182078 /nfs/dbraw/zinc/18/20/78/469182078.db2.gz HCBXIMJEOYVMGH-AWEZNQCLSA-N 1 2 332.473 2.267 20 30 EEEDLO COCCOCC[N@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000588981821 469185571 /nfs/dbraw/zinc/18/55/71/469185571.db2.gz DNHMUAKUUFJLNE-UHFFFAOYSA-N 1 2 328.416 2.147 20 30 EEEDLO COCCOCC[N@@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000588981821 469185577 /nfs/dbraw/zinc/18/55/77/469185577.db2.gz DNHMUAKUUFJLNE-UHFFFAOYSA-N 1 2 328.416 2.147 20 30 EEEDLO N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000611233365 469202254 /nfs/dbraw/zinc/20/22/54/469202254.db2.gz WRBAMAKWVXUWMF-HNNXBMFYSA-N 1 2 348.403 2.061 20 30 EEEDLO COc1cc(C#N)ccc1C[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000611235074 469203532 /nfs/dbraw/zinc/20/35/32/469203532.db2.gz HIQYCIMWGOADGA-UHFFFAOYSA-N 1 2 342.443 2.290 20 30 EEEDLO CC(C)n1cc[nH+]c1CN1CCCN(C(=O)[C@]2(C#N)C[C@@H]2C)CC1 ZINC000565402049 469272749 /nfs/dbraw/zinc/27/27/49/469272749.db2.gz IIFZXLMLMVESGQ-YJBOKZPZSA-N 1 2 329.448 2.048 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599671311 469332876 /nfs/dbraw/zinc/33/28/76/469332876.db2.gz PBKIPSGYYUUZGZ-QGZVFWFLSA-N 1 2 330.428 2.183 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599671311 469332879 /nfs/dbraw/zinc/33/28/79/469332879.db2.gz PBKIPSGYYUUZGZ-QGZVFWFLSA-N 1 2 330.428 2.183 20 30 EEEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1n[nH]cc1Br ZINC000602552415 469358472 /nfs/dbraw/zinc/35/84/72/469358472.db2.gz WDJRCRPUTZADIV-SNVBAGLBSA-N 1 2 327.226 2.361 20 30 EEEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000619364532 469591220 /nfs/dbraw/zinc/59/12/20/469591220.db2.gz CHAKOIUQSAQWDO-FQEVSTJZSA-N 1 2 344.418 2.373 20 30 EEEDLO C=CCc1ccc(OCC(=O)N[C@H]2CCn3c[nH+]cc3C2)c(OC)c1 ZINC000623297146 469613631 /nfs/dbraw/zinc/61/36/31/469613631.db2.gz YSGUDODPNZLLFM-HNNXBMFYSA-N 1 2 341.411 2.130 20 30 EEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000619719695 469669695 /nfs/dbraw/zinc/66/96/95/469669695.db2.gz WKUKEOBQTWHJOT-KRWDZBQOSA-N 1 2 334.416 2.308 20 30 EEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000619718935 469669703 /nfs/dbraw/zinc/66/97/03/469669703.db2.gz IUWZGUHYDKHRPH-OAHLLOKOSA-N 1 2 335.379 2.139 20 30 EEEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1cccc(C#N)c1 ZINC000609451185 469928548 /nfs/dbraw/zinc/92/85/48/469928548.db2.gz PQAMLWFBLOJVPT-LJQANCHMSA-N 1 2 345.406 2.188 20 30 EEEDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609485024 469931691 /nfs/dbraw/zinc/93/16/91/469931691.db2.gz HSZMEOIJOIPDAC-MRXNPFEDSA-N 1 2 332.404 2.269 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2cccc(C)c2C)nn1 ZINC000640925929 471122099 /nfs/dbraw/zinc/12/20/99/471122099.db2.gz OHKVPTPCJQKVKG-OAHLLOKOSA-N 1 2 325.416 2.208 20 30 EEEDLO CC#CC[NH2+]Cc1cn(CCOc2ccccc2C(F)(F)F)nn1 ZINC000641012013 471162502 /nfs/dbraw/zinc/16/25/02/471162502.db2.gz UEXQUNIHHUBQQB-UHFFFAOYSA-N 1 2 338.333 2.489 20 30 EEEDLO C=CCN(C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)[C@H](C)COC ZINC000666396392 471387080 /nfs/dbraw/zinc/38/70/80/471387080.db2.gz TXGQMTIYARNTSW-CQSZACIVSA-N 1 2 348.447 2.281 20 30 EEEDLO C=CC[N@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)[C@@H](C)COC ZINC000661243423 471686342 /nfs/dbraw/zinc/68/63/42/471686342.db2.gz LDKBWFIGEXSZFB-AWEZNQCLSA-N 1 2 342.461 2.087 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)[C@@H](C)COC ZINC000661243423 471686348 /nfs/dbraw/zinc/68/63/48/471686348.db2.gz LDKBWFIGEXSZFB-AWEZNQCLSA-N 1 2 342.461 2.087 20 30 EEEDLO C=CCCn1cc(CNc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)nn1 ZINC000656768366 471836645 /nfs/dbraw/zinc/83/66/45/471836645.db2.gz JOIVEZOROHKRBB-GJZGRUSLSA-N 1 2 342.447 2.475 20 30 EEEDLO CC(C)[C@H](C(=O)NCc1ccc(C#N)s1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000421926140 534902415 /nfs/dbraw/zinc/90/24/15/534902415.db2.gz WTWPMZZUMSGIJZ-XJKCOSOUSA-N 1 2 335.473 2.370 20 30 EEEDLO CC#CCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000365700894 526377215 /nfs/dbraw/zinc/37/72/15/526377215.db2.gz AFMFDPAUXJFCRV-JKSUJKDBSA-N 1 2 335.835 2.034 20 30 EEEDLO CC#CCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000365700894 526377220 /nfs/dbraw/zinc/37/72/20/526377220.db2.gz AFMFDPAUXJFCRV-JKSUJKDBSA-N 1 2 335.835 2.034 20 30 EEEDLO C=CCc1ccc(OCC(=O)N2CCn3c[nH+]cc3C2)c(OC)c1 ZINC000378060157 527249964 /nfs/dbraw/zinc/24/99/64/527249964.db2.gz QQPNTONOLZUZDW-UHFFFAOYSA-N 1 2 327.384 2.041 20 30 EEEDLO CC[N@@H+](Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)C[C@@H](C)C#N ZINC000091982898 528766567 /nfs/dbraw/zinc/76/65/67/528766567.db2.gz XQYQUVAWBXTSJY-NSHDSACASA-N 1 2 339.823 2.194 20 30 EEEDLO CC[N@H+](Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)C[C@@H](C)C#N ZINC000091982898 528766569 /nfs/dbraw/zinc/76/65/69/528766569.db2.gz XQYQUVAWBXTSJY-NSHDSACASA-N 1 2 339.823 2.194 20 30 EEEDLO CC(C)(CC#N)CS(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000451388875 534982671 /nfs/dbraw/zinc/98/26/71/534982671.db2.gz NIPQLWIKGZNIBR-UHFFFAOYSA-N 1 2 332.429 2.436 20 30 EEEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)Cn2cnc(C#N)n2)c1 ZINC000427053769 535151913 /nfs/dbraw/zinc/15/19/13/535151913.db2.gz UMPSBWVSAGKYFJ-UHFFFAOYSA-N 1 2 349.398 2.452 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(Br)s1 ZINC000730097456 576714643 /nfs/dbraw/zinc/71/46/43/576714643.db2.gz YYZXQPVLWOJKDY-NSHDSACASA-N 1 2 327.247 2.224 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(Br)s1 ZINC000730097456 576714645 /nfs/dbraw/zinc/71/46/45/576714645.db2.gz YYZXQPVLWOJKDY-NSHDSACASA-N 1 2 327.247 2.224 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000732058001 577145799 /nfs/dbraw/zinc/14/57/99/577145799.db2.gz SHNPRSDVYCGSKB-SFHVURJKSA-N 1 2 348.406 2.370 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000732058001 577145800 /nfs/dbraw/zinc/14/58/00/577145800.db2.gz SHNPRSDVYCGSKB-SFHVURJKSA-N 1 2 348.406 2.370 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc(C)cc2OC)CC1 ZINC000772109714 577251870 /nfs/dbraw/zinc/25/18/70/577251870.db2.gz HPGWRGXVAPKRIG-UHFFFAOYSA-N 1 2 329.396 2.075 20 30 EEEDLO Nc1ncc(C=[NH+]Nc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000777450231 577479089 /nfs/dbraw/zinc/47/90/89/577479089.db2.gz MHOJESLPWJLBRR-UHFFFAOYSA-N 1 2 337.137 2.176 20 30 EEEDLO COc1ncnc(N)c1C=[NH+]Nc1ccccc1OC(F)(F)F ZINC000777452415 577479119 /nfs/dbraw/zinc/47/91/19/577479119.db2.gz WFSCEMOXDINFBI-UHFFFAOYSA-N 1 2 327.266 2.412 20 30 EEEDLO C#CCC(C)(C)C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000768710995 577561139 /nfs/dbraw/zinc/56/11/39/577561139.db2.gz DLZFOOKJPRCLSB-UHFFFAOYSA-N 1 2 326.400 2.388 20 30 EEEDLO C[C@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000769796876 577584577 /nfs/dbraw/zinc/58/45/77/577584577.db2.gz WSRXBNMXVGMALL-HZMBPMFUSA-N 1 2 338.864 2.217 20 30 EEEDLO C[C@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000769796876 577584578 /nfs/dbraw/zinc/58/45/78/577584578.db2.gz WSRXBNMXVGMALL-HZMBPMFUSA-N 1 2 338.864 2.217 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](C[C@@H]3CC4(CC4)C(=O)O3)CC2)c(Cl)c1 ZINC000769920197 577587224 /nfs/dbraw/zinc/58/72/24/577587224.db2.gz GIDDLSOCOOOZHJ-AWEZNQCLSA-N 1 2 345.830 2.429 20 30 EEEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1nc2ccccc2n1C ZINC000761836985 577689779 /nfs/dbraw/zinc/68/97/79/577689779.db2.gz DHRXGDGDLBXTFO-UHFFFAOYSA-N 1 2 332.371 2.385 20 30 EEEDLO CC(C)N1c2ccccc2C(=NNc2ccc(-n3cc[nH+]c3)nn2)C1=O ZINC000761857994 577690172 /nfs/dbraw/zinc/69/01/72/577690172.db2.gz QAEBKSJVXKTLRV-UHFFFAOYSA-N 1 2 347.382 2.234 20 30 EEEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCCCn1cc[nH+]c1 ZINC000763294720 577718628 /nfs/dbraw/zinc/71/86/28/577718628.db2.gz VISKLWCBQKNLPY-UHFFFAOYSA-N 1 2 328.372 2.038 20 30 EEEDLO CCO[C@H](C)c1noc(C[N@H+](C)C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000763409402 577720729 /nfs/dbraw/zinc/72/07/29/577720729.db2.gz DZMAYJPKAYFTSF-DOMZBBRYSA-N 1 2 330.388 2.204 20 30 EEEDLO CCO[C@H](C)c1noc(C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000763409402 577720730 /nfs/dbraw/zinc/72/07/30/577720730.db2.gz DZMAYJPKAYFTSF-DOMZBBRYSA-N 1 2 330.388 2.204 20 30 EEEDLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000751665424 577757138 /nfs/dbraw/zinc/75/71/38/577757138.db2.gz CDIPBQBCIVXOPU-JKSUJKDBSA-N 1 2 330.384 2.190 20 30 EEEDLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000751665424 577757139 /nfs/dbraw/zinc/75/71/39/577757139.db2.gz CDIPBQBCIVXOPU-JKSUJKDBSA-N 1 2 330.384 2.190 20 30 EEEDLO CCNc1nc(N=NCc2c[nH+]c3c(C)cccn23)nc(NCC)n1 ZINC000755512185 577826036 /nfs/dbraw/zinc/82/60/36/577826036.db2.gz DFOSERCIAPOQBK-UHFFFAOYSA-N 1 2 339.407 2.137 20 30 EEEDLO Cc1cccc(C)c1OCC1N=NC(=S)N1N=Cc1c[nH+]cn1C ZINC000755620517 577828067 /nfs/dbraw/zinc/82/80/67/577828067.db2.gz HGGXYUDNDSKPFH-UHFFFAOYSA-N 1 2 342.428 2.378 20 30 EEEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2cccc(F)c2C#N)C1 ZINC000756971480 577854083 /nfs/dbraw/zinc/85/40/83/577854083.db2.gz AYTCCBBAGOOSRT-INIZCTEOSA-N 1 2 345.399 2.162 20 30 EEEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2cccc(F)c2C#N)C1 ZINC000756971480 577854084 /nfs/dbraw/zinc/85/40/84/577854084.db2.gz AYTCCBBAGOOSRT-INIZCTEOSA-N 1 2 345.399 2.162 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc2cc(Br)ccc2[nH]1 ZINC000742891093 577877642 /nfs/dbraw/zinc/87/76/42/577877642.db2.gz IYYAKLDOGGEVLY-ZDUSSCGKSA-N 1 2 347.216 2.362 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc2cc(Br)ccc2[nH]1 ZINC000742891093 577877643 /nfs/dbraw/zinc/87/76/43/577877643.db2.gz IYYAKLDOGGEVLY-ZDUSSCGKSA-N 1 2 347.216 2.362 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000742891093 577877644 /nfs/dbraw/zinc/87/76/44/577877644.db2.gz IYYAKLDOGGEVLY-ZDUSSCGKSA-N 1 2 347.216 2.362 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000742891093 577877645 /nfs/dbraw/zinc/87/76/45/577877645.db2.gz IYYAKLDOGGEVLY-ZDUSSCGKSA-N 1 2 347.216 2.362 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000741804027 578124648 /nfs/dbraw/zinc/12/46/48/578124648.db2.gz MSDTUGQOWMVSAB-HNNXBMFYSA-N 1 2 339.480 2.352 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000741804027 578124649 /nfs/dbraw/zinc/12/46/49/578124649.db2.gz MSDTUGQOWMVSAB-HNNXBMFYSA-N 1 2 339.480 2.352 20 30 EEEDLO C=C(C)CN(CC)C(=O)COC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000735958480 578175116 /nfs/dbraw/zinc/17/51/16/578175116.db2.gz JBOIFGOGGVBFJL-MRXNPFEDSA-N 1 2 344.455 2.401 20 30 EEEDLO C=C(C)CN(CC)C(=O)COC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000735958480 578175117 /nfs/dbraw/zinc/17/51/17/578175117.db2.gz JBOIFGOGGVBFJL-MRXNPFEDSA-N 1 2 344.455 2.401 20 30 EEEDLO C[C@H](NC(=O)c1ccon1)C1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC000969330151 674846608 /nfs/dbraw/zinc/84/66/08/674846608.db2.gz LUJZIOWADDOVHX-ZDUSSCGKSA-N 1 2 343.814 2.430 20 30 EEEDLO Cc1n[nH]c(C(=O)N[C@@H](C)C2C[NH+](Cc3cccc(C#N)c3)C2)c1C ZINC000969404621 674954067 /nfs/dbraw/zinc/95/40/67/674954067.db2.gz OILOMFGPJDVGIA-AWEZNQCLSA-N 1 2 337.427 2.149 20 30 EEEDLO CC(C)c1ocnc1C[NH+]1CC([C@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000969463772 675059286 /nfs/dbraw/zinc/05/92/86/675059286.db2.gz VAECDSYWTHEIRZ-LBPRGKRZSA-N 1 2 341.415 2.248 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nn(C)c3c2CCCC3)C1 ZINC000970459558 675908999 /nfs/dbraw/zinc/90/89/99/675908999.db2.gz LTLMBUYDLIOXCJ-LBPRGKRZSA-N 1 2 336.867 2.102 20 30 EEEDLO CCn1ccc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3C#N)C2)n1 ZINC000970531533 675964627 /nfs/dbraw/zinc/96/46/27/675964627.db2.gz IKWYMIOSHWACRD-AWEZNQCLSA-N 1 2 337.427 2.025 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](CC=C(Cl)Cl)C2)nc1 ZINC000970764072 676135711 /nfs/dbraw/zinc/13/57/11/676135711.db2.gz QFIDSMGAACQBRB-NSHDSACASA-N 1 2 338.238 2.432 20 30 EEEDLO C=CCCCC(=O)N(C)CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001067450146 676208712 /nfs/dbraw/zinc/20/87/12/676208712.db2.gz HQQNNQHOQNSNQX-INIZCTEOSA-N 1 2 334.464 2.497 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)C2C[NH+](Cc3ccnc(OC)n3)C2)CC1 ZINC000970377974 675831347 /nfs/dbraw/zinc/83/13/47/675831347.db2.gz UOCVGMKSEDFTRW-AWEZNQCLSA-N 1 2 344.459 2.168 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C)nc2)C1 ZINC000971088286 676362257 /nfs/dbraw/zinc/36/22/57/676362257.db2.gz KNMROQHIOKKZDD-CQSZACIVSA-N 1 2 338.249 2.445 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C)nc2)C1 ZINC000971088286 676362259 /nfs/dbraw/zinc/36/22/59/676362259.db2.gz KNMROQHIOKKZDD-CQSZACIVSA-N 1 2 338.249 2.445 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](OC)C(C)C)C1 ZINC000972243776 678447097 /nfs/dbraw/zinc/44/70/97/678447097.db2.gz YCXKFYFAQSMNKX-STQMWFEESA-N 1 2 333.270 2.099 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](OC)C(C)C)C1 ZINC000972243776 678447103 /nfs/dbraw/zinc/44/71/03/678447103.db2.gz YCXKFYFAQSMNKX-STQMWFEESA-N 1 2 333.270 2.099 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2n[nH]cc2C)C[C@@H]1C ZINC000947290075 678920040 /nfs/dbraw/zinc/92/00/40/678920040.db2.gz CGGGGFFRVBPRAB-NWDGAFQWSA-N 1 2 341.253 2.209 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]cc2C)C[C@@H]1C ZINC000947290075 678920042 /nfs/dbraw/zinc/92/00/42/678920042.db2.gz CGGGGFFRVBPRAB-NWDGAFQWSA-N 1 2 341.253 2.209 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1cnccc1C)CCO2 ZINC000972496667 679076235 /nfs/dbraw/zinc/07/62/35/679076235.db2.gz HVWNVSIQRQBJOE-FQEVSTJZSA-N 1 2 343.471 2.406 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1cnccc1C)CCO2 ZINC000972496667 679076238 /nfs/dbraw/zinc/07/62/38/679076238.db2.gz HVWNVSIQRQBJOE-FQEVSTJZSA-N 1 2 343.471 2.406 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C3CCC3)C3CCC3)C2)C1 ZINC000972525082 679162731 /nfs/dbraw/zinc/16/27/31/679162731.db2.gz YHJYGFFQEPWXME-FQEVSTJZSA-N 1 2 330.472 2.139 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C3CCC3)C3CCC3)C2)C1 ZINC000972525082 679162733 /nfs/dbraw/zinc/16/27/33/679162733.db2.gz YHJYGFFQEPWXME-FQEVSTJZSA-N 1 2 330.472 2.139 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Cc3ccccc3F)C2)C1 ZINC000972548890 679252575 /nfs/dbraw/zinc/25/25/75/679252575.db2.gz JYORBSZSZUNXEX-UZLBHIALSA-N 1 2 346.446 2.494 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Cc3ccccc3F)C2)C1 ZINC000972548890 679252577 /nfs/dbraw/zinc/25/25/77/679252577.db2.gz JYORBSZSZUNXEX-UZLBHIALSA-N 1 2 346.446 2.494 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C4CC4)nc3C)C2)C1 ZINC000972557919 679279428 /nfs/dbraw/zinc/27/94/28/679279428.db2.gz ULCZTDXTVPJCKJ-HXUWFJFHSA-N 1 2 341.455 2.370 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C4CC4)nc3C)C2)C1 ZINC000972557919 679279430 /nfs/dbraw/zinc/27/94/30/679279430.db2.gz ULCZTDXTVPJCKJ-HXUWFJFHSA-N 1 2 341.455 2.370 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@@H+](Cc2nnc(C)o2)C1 ZINC001023414757 679298258 /nfs/dbraw/zinc/29/82/58/679298258.db2.gz AJHLPPMMLZKUEV-OAHLLOKOSA-N 1 2 343.431 2.008 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@H+](Cc2nnc(C)o2)C1 ZINC001023414757 679298259 /nfs/dbraw/zinc/29/82/59/679298259.db2.gz AJHLPPMMLZKUEV-OAHLLOKOSA-N 1 2 343.431 2.008 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3scnc3C3CC3)C2)C1 ZINC000972586580 679364698 /nfs/dbraw/zinc/36/46/98/679364698.db2.gz ZELDUQLEWXTRCQ-KRWDZBQOSA-N 1 2 333.457 2.123 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3scnc3C3CC3)C2)C1 ZINC000972586580 679364701 /nfs/dbraw/zinc/36/47/01/679364701.db2.gz ZELDUQLEWXTRCQ-KRWDZBQOSA-N 1 2 333.457 2.123 20 30 EEEDLO C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4[nH]cnc43)C2)C1 ZINC000972607100 679420415 /nfs/dbraw/zinc/42/04/15/679420415.db2.gz CCWKEFTVQDQYDU-IBGZPJMESA-N 1 2 340.427 2.056 20 30 EEEDLO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4[nH]cnc43)C2)C1 ZINC000972607100 679420417 /nfs/dbraw/zinc/42/04/17/679420417.db2.gz CCWKEFTVQDQYDU-IBGZPJMESA-N 1 2 340.427 2.056 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(c4ccccc4F)CC3)C2)C1 ZINC000972624573 679447404 /nfs/dbraw/zinc/44/74/04/679447404.db2.gz PVEZLXDNTXVDPJ-LJQANCHMSA-N 1 2 344.430 2.347 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(c4ccccc4F)CC3)C2)C1 ZINC000972624573 679447405 /nfs/dbraw/zinc/44/74/05/679447405.db2.gz PVEZLXDNTXVDPJ-LJQANCHMSA-N 1 2 344.430 2.347 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@]2(C)CCCOC2)C1 ZINC000972629781 679459030 /nfs/dbraw/zinc/45/90/30/679459030.db2.gz XPJSCCRWTKRSHA-DZGCQCFKSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@]2(C)CCCOC2)C1 ZINC000972629781 679459032 /nfs/dbraw/zinc/45/90/32/679459032.db2.gz XPJSCCRWTKRSHA-DZGCQCFKSA-N 1 2 345.281 2.244 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cc(C)ccc3F)C2)C1 ZINC000972646187 679501449 /nfs/dbraw/zinc/50/14/49/679501449.db2.gz DTOLZIHEUVWBMJ-LJQANCHMSA-N 1 2 332.419 2.166 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cc(C)ccc3F)C2)C1 ZINC000972646187 679501450 /nfs/dbraw/zinc/50/14/50/679501450.db2.gz DTOLZIHEUVWBMJ-LJQANCHMSA-N 1 2 332.419 2.166 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4[nH]ccc4s3)C2)C1 ZINC000972655499 679519841 /nfs/dbraw/zinc/51/98/41/679519841.db2.gz LKGQVLKPHKBFBB-KRWDZBQOSA-N 1 2 331.441 2.332 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4[nH]ccc4s3)C2)C1 ZINC000972655499 679519843 /nfs/dbraw/zinc/51/98/43/679519843.db2.gz LKGQVLKPHKBFBB-KRWDZBQOSA-N 1 2 331.441 2.332 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(OCC)cc3)C2)C1 ZINC000972664507 679536348 /nfs/dbraw/zinc/53/63/48/679536348.db2.gz NMHKZFFRGDWAND-FQEVSTJZSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(OCC)cc3)C2)C1 ZINC000972664507 679536350 /nfs/dbraw/zinc/53/63/50/679536350.db2.gz NMHKZFFRGDWAND-FQEVSTJZSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)COc3cccc(CC)c3)C2)C1 ZINC000972664592 679536825 /nfs/dbraw/zinc/53/68/25/679536825.db2.gz PXBHQPPBWOSFSE-FQEVSTJZSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)COc3cccc(CC)c3)C2)C1 ZINC000972664592 679536827 /nfs/dbraw/zinc/53/68/27/679536827.db2.gz PXBHQPPBWOSFSE-FQEVSTJZSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc4c(c3)CCC4)C2)C1 ZINC000972668896 679558074 /nfs/dbraw/zinc/55/80/74/679558074.db2.gz FRORHGDTQZPVAQ-NRFANRHFSA-N 1 2 340.467 2.207 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc4c(c3)CCC4)C2)C1 ZINC000972668896 679558076 /nfs/dbraw/zinc/55/80/76/679558076.db2.gz FRORHGDTQZPVAQ-NRFANRHFSA-N 1 2 340.467 2.207 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3cccc(F)c3)C2)C1 ZINC000972684740 679599806 /nfs/dbraw/zinc/59/98/06/679599806.db2.gz WPCCWKFKIAAUDC-HNAYVOBHSA-N 1 2 332.419 2.419 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3cccc(F)c3)C2)C1 ZINC000972684740 679599809 /nfs/dbraw/zinc/59/98/09/679599809.db2.gz WPCCWKFKIAAUDC-HNAYVOBHSA-N 1 2 332.419 2.419 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2CNC(=O)[C@H]2CCOC2)c1 ZINC001024350140 679880405 /nfs/dbraw/zinc/88/04/05/679880405.db2.gz JVHOSNXEYDMZGG-RDJZCZTQSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2CNC(=O)[C@H]2CCOC2)c1 ZINC001024350140 679880406 /nfs/dbraw/zinc/88/04/06/679880406.db2.gz JVHOSNXEYDMZGG-RDJZCZTQSA-N 1 2 345.418 2.205 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CCOC1 ZINC001006899955 679990835 /nfs/dbraw/zinc/99/08/35/679990835.db2.gz VAUSUNDLSJBLOY-WMZOPIPTSA-N 1 2 346.858 2.309 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CCOC1 ZINC001006899955 679990840 /nfs/dbraw/zinc/99/08/40/679990840.db2.gz VAUSUNDLSJBLOY-WMZOPIPTSA-N 1 2 346.858 2.309 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2n(n1)CCCO2 ZINC001024548102 680080094 /nfs/dbraw/zinc/08/00/94/680080094.db2.gz UVQNQAJLYZTNOE-CYBMUJFWSA-N 1 2 338.839 2.002 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2n(n1)CCCO2 ZINC001024548102 680080098 /nfs/dbraw/zinc/08/00/98/680080098.db2.gz UVQNQAJLYZTNOE-CYBMUJFWSA-N 1 2 338.839 2.002 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc3nc[nH]c3n2)C(C)(C)C1 ZINC000974729323 685346888 /nfs/dbraw/zinc/34/68/88/685346888.db2.gz LMORANAKLMQJJY-CYBMUJFWSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc3nc[nH]c3n2)C(C)(C)C1 ZINC000974729323 685346893 /nfs/dbraw/zinc/34/68/93/685346893.db2.gz LMORANAKLMQJJY-CYBMUJFWSA-N 1 2 333.823 2.151 20 30 EEEDLO Cc1nnccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)CC1(C)C ZINC000974773057 685423432 /nfs/dbraw/zinc/42/34/32/685423432.db2.gz FQFZIELLDZNWTI-GOSISDBHSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1nnccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC1(C)C ZINC000974773057 685423434 /nfs/dbraw/zinc/42/34/34/685423434.db2.gz FQFZIELLDZNWTI-GOSISDBHSA-N 1 2 349.438 2.297 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001024621050 681289743 /nfs/dbraw/zinc/28/97/43/681289743.db2.gz ITCPJHHFHLCCPE-NSHDSACASA-N 1 2 349.822 2.000 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001024621050 681289745 /nfs/dbraw/zinc/28/97/45/681289745.db2.gz ITCPJHHFHLCCPE-NSHDSACASA-N 1 2 349.822 2.000 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2ncccn2n1 ZINC001024720632 681382535 /nfs/dbraw/zinc/38/25/35/681382535.db2.gz NRBWWYBWDQJMKO-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc2ncccn2n1 ZINC001024720632 681382539 /nfs/dbraw/zinc/38/25/39/681382539.db2.gz NRBWWYBWDQJMKO-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)o1 ZINC000973006182 681836760 /nfs/dbraw/zinc/83/67/60/681836760.db2.gz PSLJXCZLEPVSDL-SWLSCSKDSA-N 1 2 341.415 2.384 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)o1 ZINC000973006182 681836764 /nfs/dbraw/zinc/83/67/64/681836764.db2.gz PSLJXCZLEPVSDL-SWLSCSKDSA-N 1 2 341.415 2.384 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C/C(Cl)=C/Cl)C2)nc1 ZINC001028936140 682512379 /nfs/dbraw/zinc/51/23/79/682512379.db2.gz PSSLYFRWQNWVHC-GRFABLRMSA-N 1 2 338.238 2.434 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C/C(Cl)=C/Cl)C2)nc1 ZINC001028936140 682512382 /nfs/dbraw/zinc/51/23/82/682512382.db2.gz PSSLYFRWQNWVHC-GRFABLRMSA-N 1 2 338.238 2.434 20 30 EEEDLO Cc1ocnc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001029233837 683642736 /nfs/dbraw/zinc/64/27/36/683642736.db2.gz RJECZVIUHWMUCJ-CALCHBBNSA-N 1 2 336.395 2.344 20 30 EEEDLO Cc1ocnc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001029233837 683642739 /nfs/dbraw/zinc/64/27/39/683642739.db2.gz RJECZVIUHWMUCJ-CALCHBBNSA-N 1 2 336.395 2.344 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](C/C(Cl)=C\Cl)C[C@H]32)c1 ZINC001026029891 683768723 /nfs/dbraw/zinc/76/87/23/683768723.db2.gz KBHKCEIZNDZYNU-KKBYPXMHSA-N 1 2 336.222 2.042 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2[C@H]3C[N@H+](C/C(Cl)=C\Cl)C[C@H]32)c1 ZINC001026029891 683768728 /nfs/dbraw/zinc/76/87/28/683768728.db2.gz KBHKCEIZNDZYNU-KKBYPXMHSA-N 1 2 336.222 2.042 20 30 EEEDLO Cc1ncncc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000993098363 683923846 /nfs/dbraw/zinc/92/38/46/683923846.db2.gz YEQKHVKPHJPUHG-DNVCBOLYSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1ncncc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000993098363 683923850 /nfs/dbraw/zinc/92/38/50/683923850.db2.gz YEQKHVKPHJPUHG-DNVCBOLYSA-N 1 2 349.438 2.440 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cocn2)CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000993103017 683927173 /nfs/dbraw/zinc/92/71/73/683927173.db2.gz JVYSICMDUWJWLA-WMLDXEAASA-N 1 2 341.386 2.448 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cocn2)CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000993103017 683927175 /nfs/dbraw/zinc/92/71/75/683927175.db2.gz JVYSICMDUWJWLA-WMLDXEAASA-N 1 2 341.386 2.448 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ccnn2C)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993113192 683939113 /nfs/dbraw/zinc/93/91/13/683939113.db2.gz UNWXCOIPAKBRSG-YOEHRIQHSA-N 1 2 337.427 2.075 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ccnn2C)CCC[N@H+]1Cc1ccccc1C#N ZINC000993113192 683939115 /nfs/dbraw/zinc/93/91/15/683939115.db2.gz UNWXCOIPAKBRSG-YOEHRIQHSA-N 1 2 337.427 2.075 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3sccc3C)C2)C1=O ZINC001006604218 684129157 /nfs/dbraw/zinc/12/91/57/684129157.db2.gz SOEMPCJOEZBTPM-LSDHHAIUSA-N 1 2 347.484 2.038 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3sccc3C)C2)C1=O ZINC001006604218 684129158 /nfs/dbraw/zinc/12/91/58/684129158.db2.gz SOEMPCJOEZBTPM-LSDHHAIUSA-N 1 2 347.484 2.038 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC000974306750 684593193 /nfs/dbraw/zinc/59/31/93/684593193.db2.gz HWLNLGROLKBXJM-OKILXGFUSA-N 1 2 338.411 2.068 20 30 EEEDLO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2c[nH]cc3ncnc2-3)C(C)(C)C1 ZINC000974605708 685119886 /nfs/dbraw/zinc/11/98/86/685119886.db2.gz AYPPHFBPNKCJLU-HNNXBMFYSA-N 1 2 327.432 2.364 20 30 EEEDLO C=C(C)CC[N@H+]1C[C@H](NC(=O)c2c[nH]cc3ncnc2-3)C(C)(C)C1 ZINC000974605708 685119888 /nfs/dbraw/zinc/11/98/88/685119888.db2.gz AYPPHFBPNKCJLU-HNNXBMFYSA-N 1 2 327.432 2.364 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cnco1 ZINC000974872109 685659279 /nfs/dbraw/zinc/65/92/79/685659279.db2.gz QMCYWOZYEJFQHN-MRXNPFEDSA-N 1 2 342.374 2.326 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cnco1 ZINC000974872109 685659281 /nfs/dbraw/zinc/65/92/81/685659281.db2.gz QMCYWOZYEJFQHN-MRXNPFEDSA-N 1 2 342.374 2.326 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC000975017821 686054964 /nfs/dbraw/zinc/05/49/64/686054964.db2.gz NSQQVXADVFYHJF-IDHHARJASA-N 1 2 344.459 2.004 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC000975017821 686054969 /nfs/dbraw/zinc/05/49/69/686054969.db2.gz NSQQVXADVFYHJF-IDHHARJASA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2nnn(CC)c2CC)C(C)(C)C1 ZINC000975029046 686080422 /nfs/dbraw/zinc/08/04/22/686080422.db2.gz AOJYXGGZAQKPGU-CYBMUJFWSA-N 1 2 339.871 2.053 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2nnn(CC)c2CC)C(C)(C)C1 ZINC000975029046 686080425 /nfs/dbraw/zinc/08/04/25/686080425.db2.gz AOJYXGGZAQKPGU-CYBMUJFWSA-N 1 2 339.871 2.053 20 30 EEEDLO C=C1CC(C)(C(=O)NCC[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001059560136 687104956 /nfs/dbraw/zinc/10/49/56/687104956.db2.gz GRZYYNNGPUIVKO-HNNXBMFYSA-N 1 2 344.459 2.053 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001059653278 687737991 /nfs/dbraw/zinc/73/79/91/687737991.db2.gz CUYDKNKWCHQUOK-INIZCTEOSA-N 1 2 346.475 2.230 20 30 EEEDLO C[N@H+](Cc1ncc(C2CC2)o1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027406013 687947460 /nfs/dbraw/zinc/94/74/60/687947460.db2.gz MCZBKDLTHFQNMA-INIZCTEOSA-N 1 2 327.428 2.388 20 30 EEEDLO C[N@@H+](Cc1ncc(C2CC2)o1)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027406013 687947462 /nfs/dbraw/zinc/94/74/62/687947462.db2.gz MCZBKDLTHFQNMA-INIZCTEOSA-N 1 2 327.428 2.388 20 30 EEEDLO C[C@H]1[C@H]([NH2+]Cc2nc(C3CCCC3)no2)CCN1C(=O)C#CC1CC1 ZINC000986291105 688464541 /nfs/dbraw/zinc/46/45/41/688464541.db2.gz ZZWNMGWZZBEGFJ-XJKSGUPXSA-N 1 2 342.443 2.220 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059820443 689936274 /nfs/dbraw/zinc/93/62/74/689936274.db2.gz WXMBZBWEZHPTEH-HNNXBMFYSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059820443 689936277 /nfs/dbraw/zinc/93/62/77/689936277.db2.gz WXMBZBWEZHPTEH-HNNXBMFYSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc(-c3ccn(C)c3)[nH]n2)C1 ZINC000988938593 691311567 /nfs/dbraw/zinc/31/15/67/691311567.db2.gz HYKLSHZOGAJWAL-JSGCOSHPSA-N 1 2 347.850 2.360 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@@H]([NH2+]Cc3nnc(CC)o3)C[C@H]2C)CC1 ZINC000989397749 691672089 /nfs/dbraw/zinc/67/20/89/691672089.db2.gz CJMJJNHZFJYBQO-HIFRSBDPSA-N 1 2 332.448 2.457 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2csc(Br)c2)CC1 ZINC000127882144 692088175 /nfs/dbraw/zinc/08/81/75/692088175.db2.gz PHRNPVHMRHNXNK-UHFFFAOYSA-N 1 2 327.247 2.292 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060039342 692967378 /nfs/dbraw/zinc/96/73/78/692967378.db2.gz DAJGAQVDQZLIDN-OAHLLOKOSA-N 1 2 346.475 2.218 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060039888 692978392 /nfs/dbraw/zinc/97/83/92/692978392.db2.gz KVVXAVJRNVSJHV-KXBFYZLASA-N 1 2 346.475 2.218 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3nn(CC)nc3C)C2)C1 ZINC001027565673 693055330 /nfs/dbraw/zinc/05/53/30/693055330.db2.gz AFRWGAROKKXTJS-MRXNPFEDSA-N 1 2 345.491 2.386 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@H+](C)Cc3nn(CC)nc3C)C2)C1 ZINC001027565673 693055335 /nfs/dbraw/zinc/05/53/35/693055335.db2.gz AFRWGAROKKXTJS-MRXNPFEDSA-N 1 2 345.491 2.386 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@]2(NC(=O)c3ncc[nH]3)CCC[C@@H]12 ZINC000990614371 693097144 /nfs/dbraw/zinc/09/71/44/693097144.db2.gz NAQLIUSKDLJASN-BXUZGUMPSA-N 1 2 339.237 2.045 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@]2(NC(=O)c3ncc[nH]3)CCC[C@@H]12 ZINC000990614371 693097148 /nfs/dbraw/zinc/09/71/48/693097148.db2.gz NAQLIUSKDLJASN-BXUZGUMPSA-N 1 2 339.237 2.045 20 30 EEEDLO N#CCc1ccc(NC(=O)c2cccn2CC[NH+]2CCOCC2)cc1 ZINC000905318834 694600928 /nfs/dbraw/zinc/60/09/28/694600928.db2.gz SFQMNVXGIDYNAI-UHFFFAOYSA-N 1 2 338.411 2.139 20 30 EEEDLO C[C@H]1C[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)CCO1 ZINC001032078728 1192240523 /nfs/dbraw/zinc/24/05/23/1192240523.db2.gz XRTYCFSGEVXMNC-BBRMVZONSA-N 1 2 345.418 2.060 20 30 EEEDLO COc1ccc(C[N@H+](C)CCNC(=O)C(F)C(F)(F)F)cc1C#N ZINC001480866554 1176143753 /nfs/dbraw/zinc/14/37/53/1176143753.db2.gz GSGFZZQKSDXCSB-CYBMUJFWSA-N 1 2 347.312 2.015 20 30 EEEDLO COc1ccc(C[N@@H+](C)CCNC(=O)C(F)C(F)(F)F)cc1C#N ZINC001480866554 1176143756 /nfs/dbraw/zinc/14/37/56/1176143756.db2.gz GSGFZZQKSDXCSB-CYBMUJFWSA-N 1 2 347.312 2.015 20 30 EEEDLO COc1ccc(C[N@H+](C)CCNC(=O)[C@@H](F)C(F)(F)F)cc1C#N ZINC001480866554 1176143759 /nfs/dbraw/zinc/14/37/59/1176143759.db2.gz GSGFZZQKSDXCSB-CYBMUJFWSA-N 1 2 347.312 2.015 20 30 EEEDLO COc1ccc(C[N@@H+](C)CCNC(=O)[C@@H](F)C(F)(F)F)cc1C#N ZINC001480866554 1176143761 /nfs/dbraw/zinc/14/37/61/1176143761.db2.gz GSGFZZQKSDXCSB-CYBMUJFWSA-N 1 2 347.312 2.015 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)C1 ZINC001032180901 1192852923 /nfs/dbraw/zinc/85/29/23/1192852923.db2.gz OQXHXFPAKNKMEO-WBMJQRKESA-N 1 2 336.819 2.015 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccnc(OC)n2)C1 ZINC001481403055 1181223896 /nfs/dbraw/zinc/22/38/96/1181223896.db2.gz KPENAZKHFNEAJE-CYBMUJFWSA-N 1 2 338.839 2.164 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccnc(OC)n2)C1 ZINC001481403055 1181223902 /nfs/dbraw/zinc/22/39/02/1181223902.db2.gz KPENAZKHFNEAJE-CYBMUJFWSA-N 1 2 338.839 2.164 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)C4C(C)(C)C4(C)C)C3)C2)cc1C#N ZINC001270703721 1185330083 /nfs/dbraw/zinc/33/00/83/1185330083.db2.gz VWKIAGPLKUROPR-UHFFFAOYSA-N 1 2 340.471 2.223 20 30 EEEDLO C=C1CC(C(=O)N2CC[C@@H]3C[C@@]32C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001271455195 1186248598 /nfs/dbraw/zinc/24/85/98/1186248598.db2.gz IIMGHXNSLZSALB-KUHUBIRLSA-N 1 2 336.395 2.230 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cncc(F)c2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088520333 1187143142 /nfs/dbraw/zinc/14/31/42/1187143142.db2.gz IMFHQHWIOOVPNI-ACJLOTCBSA-N 1 2 338.386 2.485 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cncc(F)c2)CC[N@H+]1Cc1ccccc1C#N ZINC001088520333 1187143145 /nfs/dbraw/zinc/14/31/45/1187143145.db2.gz IMFHQHWIOOVPNI-ACJLOTCBSA-N 1 2 338.386 2.485 20 30 EEEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](Cc3ccc(C)cc3O)C[C@@]2(F)C1=O 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VTRMBIPBMISWFY-GDBMZVCRSA-N 1 2 329.400 2.109 20 30 EEEDLO CCC[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001212055628 1187644217 /nfs/dbraw/zinc/64/42/17/1187644217.db2.gz QXDSBHMYTBKLFT-FSPWUOQZSA-N 1 2 347.434 2.449 20 30 EEEDLO CCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001212055628 1187644220 /nfs/dbraw/zinc/64/42/20/1187644220.db2.gz QXDSBHMYTBKLFT-FSPWUOQZSA-N 1 2 347.434 2.449 20 30 EEEDLO C=CCC1(C(=O)NC[C@@H](C)Nc2[nH+]cnc3c2cnn3C)CCC1 ZINC001098246076 1187651692 /nfs/dbraw/zinc/65/16/92/1187651692.db2.gz OJGUOYUOBAGWGA-GFCCVEGCSA-N 1 2 328.420 2.026 20 30 EEEDLO N#CCNCC1([C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)CCC1 ZINC001105581420 1188197037 /nfs/dbraw/zinc/19/70/37/1188197037.db2.gz HFGTZROQGIZROU-QGZVFWFLSA-N 1 2 343.475 2.328 20 30 EEEDLO N#Cc1cccnc1NC[C@H]1CCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001105655236 1188375647 /nfs/dbraw/zinc/37/56/47/1188375647.db2.gz PFLMXWYWWWRWGO-HUUCEWRRSA-N 1 2 338.415 2.006 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C)on4)C[C@H]32)cc1 ZINC001076117012 1188727020 /nfs/dbraw/zinc/72/70/20/1188727020.db2.gz DJVTXNFXGVILII-PKOBYXMFSA-N 1 2 335.407 2.311 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(C)on4)C[C@H]32)cc1 ZINC001076117012 1188727023 /nfs/dbraw/zinc/72/70/23/1188727023.db2.gz DJVTXNFXGVILII-PKOBYXMFSA-N 1 2 335.407 2.311 20 30 EEEDLO Cc1nocc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088833383 1188871337 /nfs/dbraw/zinc/87/13/37/1188871337.db2.gz PTCOZILNDWZUKL-ABAIWWIYSA-N 1 2 330.413 2.309 20 30 EEEDLO Cc1nocc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088833383 1188871341 /nfs/dbraw/zinc/87/13/41/1188871341.db2.gz PTCOZILNDWZUKL-ABAIWWIYSA-N 1 2 330.413 2.309 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3n[nH]c4c3C[C@H](C)CC4)[C@@H]2C1 ZINC001076415549 1188900660 /nfs/dbraw/zinc/90/06/60/1188900660.db2.gz TZAXACVIGGJLHV-PVXIVEMSSA-N 1 2 348.878 2.433 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3n[nH]c4c3C[C@H](C)CC4)[C@@H]2C1 ZINC001076415549 1188900663 /nfs/dbraw/zinc/90/06/63/1188900663.db2.gz TZAXACVIGGJLHV-PVXIVEMSSA-N 1 2 348.878 2.433 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H](C)CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001076545435 1188987191 /nfs/dbraw/zinc/98/71/91/1188987191.db2.gz AQFORECCBUESLP-GJZGRUSLSA-N 1 2 332.448 2.202 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCC[C@@H]2NC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC001105695043 1189648527 /nfs/dbraw/zinc/64/85/27/1189648527.db2.gz RTAMFULJBUBKCC-DYVFJYSZSA-N 1 2 338.415 2.006 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCC[C@@H]2NC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC001105695043 1189648532 /nfs/dbraw/zinc/64/85/32/1189648532.db2.gz RTAMFULJBUBKCC-DYVFJYSZSA-N 1 2 338.415 2.006 20 30 EEEDLO C=CCN1C[C@@]2(F)C[N@@H+](CC3(c4ccccc4)CC3)C[C@@]2(F)C1=O ZINC001273062976 1194363381 /nfs/dbraw/zinc/36/33/81/1194363381.db2.gz MFZYEIIJHZOLBY-RBUKOAKNSA-N 1 2 332.394 2.479 20 30 EEEDLO C=CCN1C[C@@]2(F)C[N@H+](CC3(c4ccccc4)CC3)C[C@@]2(F)C1=O ZINC001273062976 1194363384 /nfs/dbraw/zinc/36/33/84/1194363384.db2.gz MFZYEIIJHZOLBY-RBUKOAKNSA-N 1 2 332.394 2.479 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3nccs3)C2)cc1 ZINC001033323825 1194417643 /nfs/dbraw/zinc/41/76/43/1194417643.db2.gz YCWLZCRJWIBOEL-INIZCTEOSA-N 1 2 325.437 2.471 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3nccs3)C2)cc1 ZINC001033323825 1194417645 /nfs/dbraw/zinc/41/76/45/1194417645.db2.gz YCWLZCRJWIBOEL-INIZCTEOSA-N 1 2 325.437 2.471 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001033404369 1194547313 /nfs/dbraw/zinc/54/73/13/1194547313.db2.gz CGRWYKZVSKZQFR-HXUWFJFHSA-N 1 2 344.418 2.281 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001033404369 1194547318 /nfs/dbraw/zinc/54/73/18/1194547318.db2.gz CGRWYKZVSKZQFR-HXUWFJFHSA-N 1 2 344.418 2.281 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc3ccccc3n2)C1 ZINC001033597788 1194929172 /nfs/dbraw/zinc/92/91/72/1194929172.db2.gz WVQXXOQKQAWDTP-OAHLLOKOSA-N 1 2 332.835 2.322 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc3ccccc3n2)C1 ZINC001033597788 1194929175 /nfs/dbraw/zinc/92/91/75/1194929175.db2.gz WVQXXOQKQAWDTP-OAHLLOKOSA-N 1 2 332.835 2.322 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001033661890 1195048629 /nfs/dbraw/zinc/04/86/29/1195048629.db2.gz SRMQMOAKJKCYBM-CYBMUJFWSA-N 1 2 346.818 2.234 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001033661890 1195048633 /nfs/dbraw/zinc/04/86/33/1195048633.db2.gz SRMQMOAKJKCYBM-CYBMUJFWSA-N 1 2 346.818 2.234 20 30 EEEDLO CCN(C(=O)c1cnccn1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033736177 1195156642 /nfs/dbraw/zinc/15/66/42/1195156642.db2.gz IRZCAZRFAKNBFX-QGZVFWFLSA-N 1 2 335.411 2.085 20 30 EEEDLO CCN(C(=O)c1cnccn1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033736177 1195156645 /nfs/dbraw/zinc/15/66/45/1195156645.db2.gz IRZCAZRFAKNBFX-QGZVFWFLSA-N 1 2 335.411 2.085 20 30 EEEDLO CCN(C(=O)c1cnc(C)[nH]1)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001033775978 1195258997 /nfs/dbraw/zinc/25/89/97/1195258997.db2.gz MSFDFSGERZDNLG-QGZVFWFLSA-N 1 2 337.427 2.326 20 30 EEEDLO CCN(C(=O)c1cnc(C)[nH]1)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033775978 1195259000 /nfs/dbraw/zinc/25/90/00/1195259000.db2.gz MSFDFSGERZDNLG-QGZVFWFLSA-N 1 2 337.427 2.326 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001108111697 1195690794 /nfs/dbraw/zinc/69/07/94/1195690794.db2.gz HRNQGLAHOGXAOP-SFHVURJKSA-N 1 2 331.391 2.314 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001108111697 1195690796 /nfs/dbraw/zinc/69/07/96/1195690796.db2.gz HRNQGLAHOGXAOP-SFHVURJKSA-N 1 2 331.391 2.314 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001034089115 1195752934 /nfs/dbraw/zinc/75/29/34/1195752934.db2.gz ZSRHAAZAKGKPES-STQMWFEESA-N 1 2 331.254 2.045 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001034089115 1195752935 /nfs/dbraw/zinc/75/29/35/1195752935.db2.gz ZSRHAAZAKGKPES-STQMWFEESA-N 1 2 331.254 2.045 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)Cc2ccon2)C1 ZINC001034131501 1195829109 /nfs/dbraw/zinc/82/91/09/1195829109.db2.gz MZJUEUKJLFFSOW-ZDUSSCGKSA-N 1 2 342.237 2.096 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)Cc2ccon2)C1 ZINC001034131501 1195829111 /nfs/dbraw/zinc/82/91/11/1195829111.db2.gz MZJUEUKJLFFSOW-ZDUSSCGKSA-N 1 2 342.237 2.096 20 30 EEEDLO Cc1csc(C[N@@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001034171441 1195894614 /nfs/dbraw/zinc/89/46/14/1195894614.db2.gz PZGRFESPUUDYNY-AWEZNQCLSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1csc(C[N@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001034171441 1195894617 /nfs/dbraw/zinc/89/46/17/1195894617.db2.gz PZGRFESPUUDYNY-AWEZNQCLSA-N 1 2 343.456 2.436 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnc3ccsc3c2)C1 ZINC001108120037 1195903055 /nfs/dbraw/zinc/90/30/55/1195903055.db2.gz VPUIQPHINPCZEM-KRWDZBQOSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnc3ccsc3c2)C1 ZINC001108120037 1195903058 /nfs/dbraw/zinc/90/30/58/1195903058.db2.gz VPUIQPHINPCZEM-KRWDZBQOSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)[C@@H]1C ZINC001090233259 1196501794 /nfs/dbraw/zinc/50/17/94/1196501794.db2.gz BVBMEAXHUNABPJ-JSGCOSHPSA-N 1 2 332.452 2.004 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccncc1Cl)C2 ZINC001273231421 1197616761 /nfs/dbraw/zinc/61/67/61/1197616761.db2.gz OZIXMPQVCLXCCM-GOSISDBHSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccncc1Cl)C2 ZINC001273231421 1197616762 /nfs/dbraw/zinc/61/67/62/1197616762.db2.gz OZIXMPQVCLXCCM-GOSISDBHSA-N 1 2 349.862 2.362 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccsn3)C2)c(F)c1 ZINC001014874176 1224475363 /nfs/dbraw/zinc/47/53/63/1224475363.db2.gz HRJYYHOTKOOJKB-ZDUSSCGKSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccsn3)C2)c(F)c1 ZINC001014874176 1224475368 /nfs/dbraw/zinc/47/53/68/1224475368.db2.gz HRJYYHOTKOOJKB-ZDUSSCGKSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccsn3)C2)cc1F ZINC001014875894 1224477714 /nfs/dbraw/zinc/47/77/14/1224477714.db2.gz UOHLFFDNLKICQS-ZDUSSCGKSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccsn3)C2)cc1F ZINC001014875894 1224477718 /nfs/dbraw/zinc/47/77/18/1224477718.db2.gz UOHLFFDNLKICQS-ZDUSSCGKSA-N 1 2 330.388 2.158 20 30 EEEDLO CC[C@@H]1COCC[N@@H+]1CCNc1nc(C(F)(F)F)ccc1C#N ZINC000872771572 1198377662 /nfs/dbraw/zinc/37/76/62/1198377662.db2.gz IVGOZDGGKQTUHY-GFCCVEGCSA-N 1 2 328.338 2.495 20 30 EEEDLO CC[C@@H]1COCC[N@H+]1CCNc1nc(C(F)(F)F)ccc1C#N ZINC000872771572 1198377670 /nfs/dbraw/zinc/37/76/70/1198377670.db2.gz IVGOZDGGKQTUHY-GFCCVEGCSA-N 1 2 328.338 2.495 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2noc3c2COCC3)C1 ZINC001131994696 1199179947 /nfs/dbraw/zinc/17/99/47/1199179947.db2.gz AECHRRMCFOXGTR-LSDHHAIUSA-N 1 2 345.443 2.020 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2noc3c2COCC3)C1 ZINC001131994696 1199179949 /nfs/dbraw/zinc/17/99/49/1199179949.db2.gz AECHRRMCFOXGTR-LSDHHAIUSA-N 1 2 345.443 2.020 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2noc3c2COCC3)C1 ZINC001131994694 1199179966 /nfs/dbraw/zinc/17/99/66/1199179966.db2.gz AECHRRMCFOXGTR-GJZGRUSLSA-N 1 2 345.443 2.020 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2noc3c2COCC3)C1 ZINC001131994694 1199179968 /nfs/dbraw/zinc/17/99/68/1199179968.db2.gz AECHRRMCFOXGTR-GJZGRUSLSA-N 1 2 345.443 2.020 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn(C(C)C)c2C)[C@H](O)C1 ZINC001090515247 1199206819 /nfs/dbraw/zinc/20/68/19/1199206819.db2.gz SHNSDXZACKLTJK-JKSUJKDBSA-N 1 2 339.867 2.295 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C(C)C)c2C)[C@H](O)C1 ZINC001090515247 1199206823 /nfs/dbraw/zinc/20/68/23/1199206823.db2.gz SHNSDXZACKLTJK-JKSUJKDBSA-N 1 2 339.867 2.295 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cnnn2C)C1 ZINC001132057013 1199244952 /nfs/dbraw/zinc/24/49/52/1199244952.db2.gz IUQWPIKPCINILL-GDBMZVCRSA-N 1 2 331.464 2.053 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cnnn2C)C1 ZINC001132057013 1199244956 /nfs/dbraw/zinc/24/49/56/1199244956.db2.gz IUQWPIKPCINILL-GDBMZVCRSA-N 1 2 331.464 2.053 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCCc2c[nH]nn2)CC[C@@H]1C ZINC001132210098 1199434637 /nfs/dbraw/zinc/43/46/37/1199434637.db2.gz BZMHOJBMFNHMBI-DZGCQCFKSA-N 1 2 339.871 2.239 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCCc2c[nH]nn2)CC[C@@H]1C ZINC001132210098 1199434638 /nfs/dbraw/zinc/43/46/38/1199434638.db2.gz BZMHOJBMFNHMBI-DZGCQCFKSA-N 1 2 339.871 2.239 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132227174 1199467501 /nfs/dbraw/zinc/46/75/01/1199467501.db2.gz AKQHYPOBCYDIBY-HUUCEWRRSA-N 1 2 337.508 2.330 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132227174 1199467505 /nfs/dbraw/zinc/46/75/05/1199467505.db2.gz AKQHYPOBCYDIBY-HUUCEWRRSA-N 1 2 337.508 2.330 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+]Cc1nnc(Cc2ccccc2)o1 ZINC001132304755 1199553247 /nfs/dbraw/zinc/55/32/47/1199553247.db2.gz ZBPSAIQPCATCPD-UHFFFAOYSA-N 1 2 342.443 2.469 20 30 EEEDLO C=C(C)C[N@@H+]1C[C@H](NC(=O)CS(=O)(=O)CCCCC)CC[C@@H]1C ZINC001132420389 1199670259 /nfs/dbraw/zinc/67/02/59/1199670259.db2.gz RQOKJRYFKMSCID-JKSUJKDBSA-N 1 2 344.521 2.137 20 30 EEEDLO C=C(C)C[N@H+]1C[C@H](NC(=O)CS(=O)(=O)CCCCC)CC[C@@H]1C ZINC001132420389 1199670261 /nfs/dbraw/zinc/67/02/61/1199670261.db2.gz RQOKJRYFKMSCID-JKSUJKDBSA-N 1 2 344.521 2.137 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)CC[C@H]1C ZINC001132499120 1199780842 /nfs/dbraw/zinc/78/08/42/1199780842.db2.gz BYTQDDKUVUTGPZ-KGLIPLIRSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)CC[C@H]1C ZINC001132499120 1199780844 /nfs/dbraw/zinc/78/08/44/1199780844.db2.gz BYTQDDKUVUTGPZ-KGLIPLIRSA-N 1 2 343.899 2.260 20 30 EEEDLO COCC#CC[N@@H+]1C[C@H](NC(=O)c2scnc2Cl)CC[C@H]1C ZINC001132489497 1199790307 /nfs/dbraw/zinc/79/03/07/1199790307.db2.gz KORSECBEPXKQNY-VXGBXAGGSA-N 1 2 341.864 2.029 20 30 EEEDLO COCC#CC[N@H+]1C[C@H](NC(=O)c2scnc2Cl)CC[C@H]1C ZINC001132489497 1199790314 /nfs/dbraw/zinc/79/03/14/1199790314.db2.gz KORSECBEPXKQNY-VXGBXAGGSA-N 1 2 341.864 2.029 20 30 EEEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCCOC(F)(F)F)CC1 ZINC000878211146 1200327164 /nfs/dbraw/zinc/32/71/64/1200327164.db2.gz YLFIWHKAYQAOMS-UHFFFAOYSA-N 1 2 344.337 2.472 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114454993 1200561113 /nfs/dbraw/zinc/56/11/13/1200561113.db2.gz RHQRZZNGXQPCSV-HNAYVOBHSA-N 1 2 346.475 2.060 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC[NH2+]Cc1nnc(C(F)(F)F)s1 ZINC001133381141 1200822037 /nfs/dbraw/zinc/82/20/37/1200822037.db2.gz XEVFSFQMSBLMKB-GFCCVEGCSA-N 1 2 336.383 2.365 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)CC1 ZINC001015038564 1224672764 /nfs/dbraw/zinc/67/27/64/1224672764.db2.gz ILTHEZNKXKUMSG-DOTOQJQBSA-N 1 2 344.459 2.125 20 30 EEEDLO C[C@H](Nc1nccc(Oc2cccc(C#N)c2)n1)[C@@H]1C[N@H+](C)CCO1 ZINC000882113421 1201817615 /nfs/dbraw/zinc/81/76/15/1201817615.db2.gz JUKZUFWILHXLHL-BBRMVZONSA-N 1 2 339.399 2.272 20 30 EEEDLO C[C@H](Nc1nccc(Oc2cccc(C#N)c2)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000882113421 1201817617 /nfs/dbraw/zinc/81/76/17/1201817617.db2.gz JUKZUFWILHXLHL-BBRMVZONSA-N 1 2 339.399 2.272 20 30 EEEDLO Cc1cc(N2C[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C2)nc(C(C)C)[nH+]1 ZINC001114440193 1201952734 /nfs/dbraw/zinc/95/27/34/1201952734.db2.gz SJJZQZOCJRWDMB-TZMCWYRMSA-N 1 2 329.448 2.399 20 30 EEEDLO C=CCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2noc(C3CC3)n2)C12CCC2 ZINC001202624865 1202195720 /nfs/dbraw/zinc/19/57/20/1202195720.db2.gz JWJXCVALHHERCU-KBPBESRZSA-N 1 2 330.432 2.430 20 30 EEEDLO Cc1cccc(O)c1C[N@@H+]1C[C@]2(F)CN(CCCC#N)C(=O)[C@]2(F)C1 ZINC001274299934 1204990606 /nfs/dbraw/zinc/99/06/06/1204990606.db2.gz FNMPSSYRLBCSHS-ZWKOTPCHSA-N 1 2 349.381 2.079 20 30 EEEDLO Cc1cccc(O)c1C[N@H+]1C[C@]2(F)CN(CCCC#N)C(=O)[C@]2(F)C1 ZINC001274299934 1204990607 /nfs/dbraw/zinc/99/06/07/1204990607.db2.gz FNMPSSYRLBCSHS-ZWKOTPCHSA-N 1 2 349.381 2.079 20 30 EEEDLO C=C(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3ncc(Cl)cn3)C2)C1=O ZINC001274324149 1204998153 /nfs/dbraw/zinc/99/81/53/1204998153.db2.gz GLVRQRWXLHEZOU-KRWDZBQOSA-N 1 2 348.834 2.047 20 30 EEEDLO C=C(C)CN1C(=O)C[C@]2(CCC[N@@H+](Cc3ncc(Cl)cn3)C2)C1=O ZINC001274324149 1204998155 /nfs/dbraw/zinc/99/81/55/1204998155.db2.gz GLVRQRWXLHEZOU-KRWDZBQOSA-N 1 2 348.834 2.047 20 30 EEEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1nc3cc(F)ccc3[nH]1)CC2 ZINC001274380809 1205016065 /nfs/dbraw/zinc/01/60/65/1205016065.db2.gz HLUJAEHJUFYPLJ-AWEZNQCLSA-N 1 2 340.402 2.054 20 30 EEEDLO CCCCN1CC[C@@]2(CC[N@H+](Cc3cc(C#N)ccc3O)C2)C1=O ZINC001274668320 1205125344 /nfs/dbraw/zinc/12/53/44/1205125344.db2.gz XTODCHLWMLWKPP-LJQANCHMSA-N 1 2 327.428 2.488 20 30 EEEDLO CCCCN1CC[C@@]2(CC[N@@H+](Cc3cc(C#N)ccc3O)C2)C1=O ZINC001274668320 1205125346 /nfs/dbraw/zinc/12/53/46/1205125346.db2.gz XTODCHLWMLWKPP-LJQANCHMSA-N 1 2 327.428 2.488 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@]23CCN(CC(F)F)C3=O)s1 ZINC001274746126 1205151611 /nfs/dbraw/zinc/15/16/11/1205151611.db2.gz LVEKICHHFHMNOS-HNNXBMFYSA-N 1 2 325.384 2.452 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@]23CCN(CC(F)F)C3=O)s1 ZINC001274746126 1205151613 /nfs/dbraw/zinc/15/16/13/1205151613.db2.gz LVEKICHHFHMNOS-HNNXBMFYSA-N 1 2 325.384 2.452 20 30 EEEDLO Cn1cc(CN2C[C@@H]3C[N@@H+](Cc4ccsc4)C[C@H](C2)O3)cc1C#N ZINC001275865974 1205571146 /nfs/dbraw/zinc/57/11/46/1205571146.db2.gz JNEJIXJMTBMBOJ-HDICACEKSA-N 1 2 342.468 2.043 20 30 EEEDLO Cn1cc(CN2C[C@@H]3C[N@H+](Cc4ccsc4)C[C@H](C2)O3)cc1C#N ZINC001275865974 1205571147 /nfs/dbraw/zinc/57/11/47/1205571147.db2.gz JNEJIXJMTBMBOJ-HDICACEKSA-N 1 2 342.468 2.043 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3ccccc3n1)C2 ZINC001095629036 1205896751 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345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C[C@H]3CCOC3)C2)c(F)c1 ZINC001006983077 1222049943 /nfs/dbraw/zinc/04/99/43/1222049943.db2.gz NBAIFMJNBSEOAM-NVXWUHKLSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)[nH]1 ZINC001007145586 1222110381 /nfs/dbraw/zinc/11/03/81/1222110381.db2.gz ZYKWFVWDUPUCNE-ZDUSSCGKSA-N 1 2 339.424 2.214 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)[nH]1 ZINC001007145586 1222110383 /nfs/dbraw/zinc/11/03/83/1222110383.db2.gz ZYKWFVWDUPUCNE-ZDUSSCGKSA-N 1 2 339.424 2.214 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C3=CCOCC3)C2)c(F)c1 ZINC001007186268 1222122846 /nfs/dbraw/zinc/12/28/46/1222122846.db2.gz BBUNXWCAVXDKBT-KRWDZBQOSA-N 1 2 343.402 2.125 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)C3=CCOCC3)C2)c(F)c1 ZINC001007186268 1222122849 /nfs/dbraw/zinc/12/28/49/1222122849.db2.gz BBUNXWCAVXDKBT-KRWDZBQOSA-N 1 2 343.402 2.125 20 30 EEEDLO Cc1ccnc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001007242526 1222143832 /nfs/dbraw/zinc/14/38/32/1222143832.db2.gz LGAAVHRQDAJXDA-KRWDZBQOSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1ccnc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001007242526 1222143834 /nfs/dbraw/zinc/14/38/34/1222143834.db2.gz LGAAVHRQDAJXDA-KRWDZBQOSA-N 1 2 335.411 2.051 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001008317862 1222758602 /nfs/dbraw/zinc/75/86/02/1222758602.db2.gz VEBRIJFPFBGHBY-KGLIPLIRSA-N 1 2 336.867 2.173 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001008317862 1222758607 /nfs/dbraw/zinc/75/86/07/1222758607.db2.gz VEBRIJFPFBGHBY-KGLIPLIRSA-N 1 2 336.867 2.173 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001008329126 1222764761 /nfs/dbraw/zinc/76/47/61/1222764761.db2.gz GVPBCKNYRCQMNC-UONOGXRCSA-N 1 2 349.853 2.297 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001008329126 1222764764 /nfs/dbraw/zinc/76/47/64/1222764764.db2.gz GVPBCKNYRCQMNC-UONOGXRCSA-N 1 2 349.853 2.297 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)[nH]1 ZINC001008570749 1222934196 /nfs/dbraw/zinc/93/41/96/1222934196.db2.gz SSHOTMOELFHTQZ-KRWDZBQOSA-N 1 2 337.427 2.293 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)[nH]1 ZINC001008570749 1222934198 /nfs/dbraw/zinc/93/41/98/1222934198.db2.gz SSHOTMOELFHTQZ-KRWDZBQOSA-N 1 2 337.427 2.293 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1cscn1 ZINC001010368207 1223684683 /nfs/dbraw/zinc/68/46/83/1223684683.db2.gz CKTMNLRASWFDAH-OAHLLOKOSA-N 1 2 329.400 2.138 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)c1cscn1 ZINC001010368207 1223684684 /nfs/dbraw/zinc/68/46/84/1223684684.db2.gz CKTMNLRASWFDAH-OAHLLOKOSA-N 1 2 329.400 2.138 20 30 EEEDLO Cc1ccncc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010421066 1223712583 /nfs/dbraw/zinc/71/25/83/1223712583.db2.gz LTFBJEYLTBABBX-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1ccncc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010421066 1223712586 /nfs/dbraw/zinc/71/25/86/1223712586.db2.gz LTFBJEYLTBABBX-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001010424444 1223714302 /nfs/dbraw/zinc/71/43/02/1223714302.db2.gz NIMXOMQQMASQAK-KRWDZBQOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001010424444 1223714304 /nfs/dbraw/zinc/71/43/04/1223714304.db2.gz NIMXOMQQMASQAK-KRWDZBQOSA-N 1 2 338.386 2.405 20 30 EEEDLO C[C@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)n1cccc1 ZINC001010567992 1223788097 /nfs/dbraw/zinc/78/80/97/1223788097.db2.gz RQASMGYETLMWLP-APWZRJJASA-N 1 2 339.414 2.430 20 30 EEEDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)n1cccc1 ZINC001010567992 1223788099 /nfs/dbraw/zinc/78/80/99/1223788099.db2.gz RQASMGYETLMWLP-APWZRJJASA-N 1 2 339.414 2.430 20 30 EEEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3nc4ccccc4o3)C2)c[nH]1 ZINC001010668093 1223842957 /nfs/dbraw/zinc/84/29/57/1223842957.db2.gz JZKWWDJXPQUTQQ-ZDUSSCGKSA-N 1 2 335.367 2.032 20 30 EEEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3nc4ccccc4o3)C2)c[nH]1 ZINC001010668093 1223842960 /nfs/dbraw/zinc/84/29/60/1223842960.db2.gz JZKWWDJXPQUTQQ-ZDUSSCGKSA-N 1 2 335.367 2.032 20 30 EEEDLO CC(C)c1ncncc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016277682 1226291135 /nfs/dbraw/zinc/29/11/35/1226291135.db2.gz QKKVPBDCHPPEAC-KRWDZBQOSA-N 1 2 349.438 2.476 20 30 EEEDLO CC(C)c1ncncc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016277682 1226291141 /nfs/dbraw/zinc/29/11/41/1226291141.db2.gz QKKVPBDCHPPEAC-KRWDZBQOSA-N 1 2 349.438 2.476 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC001014326866 1226493123 /nfs/dbraw/zinc/49/31/23/1226493123.db2.gz NDIJPDBCQLRXGM-HNAYVOBHSA-N 1 2 344.459 2.125 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(F)cc2NC(C)=O)C1 ZINC001014636950 1226867194 /nfs/dbraw/zinc/86/71/94/1226867194.db2.gz DGWWFQYDOOEPND-ZDUSSCGKSA-N 1 2 339.798 2.341 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2NC(C)=O)C1 ZINC001014636950 1226867197 /nfs/dbraw/zinc/86/71/97/1226867197.db2.gz DGWWFQYDOOEPND-ZDUSSCGKSA-N 1 2 339.798 2.341 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(F)(F)F)nc1 ZINC001017781689 1227726908 /nfs/dbraw/zinc/72/69/08/1227726908.db2.gz IHYADEYWTVPZHL-OKILXGFUSA-N 1 2 337.345 2.413 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(F)(F)F)nc1 ZINC001017781689 1227726912 /nfs/dbraw/zinc/72/69/12/1227726912.db2.gz IHYADEYWTVPZHL-OKILXGFUSA-N 1 2 337.345 2.413 20 30 EEEDLO C=C(C)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C2 ZINC001054718710 1248922836 /nfs/dbraw/zinc/92/28/36/1248922836.db2.gz WJTMYXIXHKVGIB-ACHSLPGTSA-N 1 2 344.459 2.194 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1 ZINC001038529765 1229899780 /nfs/dbraw/zinc/89/97/80/1229899780.db2.gz OCVNZVWCNNSJTO-ZSYWTGECSA-N 1 2 339.439 2.064 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1 ZINC001038529765 1229899784 /nfs/dbraw/zinc/89/97/84/1229899784.db2.gz OCVNZVWCNNSJTO-ZSYWTGECSA-N 1 2 339.439 2.064 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc3n[nH]cc3c2)c1 ZINC001038637439 1229946385 /nfs/dbraw/zinc/94/63/85/1229946385.db2.gz ABXCQJIHDJSCJF-GOSISDBHSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc3n[nH]cc3c2)c1 ZINC001038637439 1229946387 /nfs/dbraw/zinc/94/63/87/1229946387.db2.gz ABXCQJIHDJSCJF-GOSISDBHSA-N 1 2 345.406 2.439 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2[C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001038664937 1229961420 /nfs/dbraw/zinc/96/14/20/1229961420.db2.gz APWPRNUBRKSJBV-MAUKXSAKSA-N 1 2 347.503 2.371 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2[C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001038664937 1229961424 /nfs/dbraw/zinc/96/14/24/1229961424.db2.gz APWPRNUBRKSJBV-MAUKXSAKSA-N 1 2 347.503 2.371 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]2[C@H](C)c2ccccc2F)nn1 ZINC001038780510 1230049205 /nfs/dbraw/zinc/04/92/05/1230049205.db2.gz DJPLPVCCKAHRNT-KGLIPLIRSA-N 1 2 343.406 2.169 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]2[C@H](C)c2ccccc2F)nn1 ZINC001038780510 1230049210 /nfs/dbraw/zinc/04/92/10/1230049210.db2.gz DJPLPVCCKAHRNT-KGLIPLIRSA-N 1 2 343.406 2.169 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]2[C@@H](C)c2ccc(F)cc2)nn1 ZINC001038782980 1230052366 /nfs/dbraw/zinc/05/23/66/1230052366.db2.gz NLCJNTVHAJHGQL-BBRMVZONSA-N 1 2 343.406 2.169 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H](C)c2ccc(F)cc2)nn1 ZINC001038782980 1230052371 /nfs/dbraw/zinc/05/23/71/1230052371.db2.gz NLCJNTVHAJHGQL-BBRMVZONSA-N 1 2 343.406 2.169 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CC12CCOCC2 ZINC001039104002 1230310062 /nfs/dbraw/zinc/31/00/62/1230310062.db2.gz LRQUNTQGDAGUAB-MOPGFXCFSA-N 1 2 338.451 2.045 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CC12CCOCC2 ZINC001039104002 1230310067 /nfs/dbraw/zinc/31/00/67/1230310067.db2.gz 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C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)s3)[C@H]2C1 ZINC001042184460 1231943056 /nfs/dbraw/zinc/94/30/56/1231943056.db2.gz WRIHCNKUVSBLHR-KGLIPLIRSA-N 1 2 334.489 2.482 20 30 EEEDLO C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3cc(C(F)(F)F)[nH]n3)C[C@@H]21 ZINC001042271469 1231995937 /nfs/dbraw/zinc/99/59/37/1231995937.db2.gz YOHCUTLQHBSYJX-JQWIXIFHSA-N 1 2 328.338 2.151 20 30 EEEDLO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(C(F)(F)F)[nH]n3)C[C@@H]21 ZINC001042271469 1231995939 /nfs/dbraw/zinc/99/59/39/1231995939.db2.gz YOHCUTLQHBSYJX-JQWIXIFHSA-N 1 2 328.338 2.151 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(-c4ccoc4)[nH]n3)C[C@@H]21 ZINC001042354683 1232042498 /nfs/dbraw/zinc/04/24/98/1232042498.db2.gz CCAXKUQUASJZOM-KSSFIOAISA-N 1 2 338.411 2.229 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cc(-c4ccoc4)[nH]n3)C[C@@H]21 ZINC001042354683 1232042499 /nfs/dbraw/zinc/04/24/99/1232042499.db2.gz CCAXKUQUASJZOM-KSSFIOAISA-N 1 2 338.411 2.229 20 30 EEEDLO C=CCn1cc(C(=O)N(C)C2C[NH+](Cc3ccc(C)c(C)c3)C2)nn1 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CN(C)/C=[NH+]/c1ccc(-c2cccc(S(N)(=O)=O)c2)cc1C#N ZINC001240165188 1309257663 /nfs/dbraw/zinc/25/76/63/1309257663.db2.gz ZYNUQUGOAKFYNX-YBFXNURJSA-N 1 2 328.397 2.094 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)C[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001120712845 1309705800 /nfs/dbraw/zinc/70/58/00/1309705800.db2.gz UFUSKZDAFKHMLS-GFCCVEGCSA-N 1 2 334.468 2.107 20 30 EEEDLO C[C@@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)Nc1ccc(C#N)nc1 ZINC001120760238 1309733952 /nfs/dbraw/zinc/73/39/52/1309733952.db2.gz YCPSZESIYKNZGA-KBPBESRZSA-N 1 2 326.404 2.060 20 30 EEEDLO C=CCCNC(=S)N(C)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001247634177 1310659615 /nfs/dbraw/zinc/65/96/15/1310659615.db2.gz ZHYKWHVBBZYHIT-QGZVFWFLSA-N 1 2 333.501 2.270 20 30 EEEDLO C=CCCNC(=S)N(C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001247634177 1310659628 /nfs/dbraw/zinc/65/96/28/1310659628.db2.gz ZHYKWHVBBZYHIT-QGZVFWFLSA-N 1 2 333.501 2.270 20 30 EEEDLO C#CC1CC[NH+](Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1 ZINC000830342777 1314533554 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C=CCOc1cccnc1C(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842888748 1315792536 /nfs/dbraw/zinc/79/25/36/1315792536.db2.gz QLGAZBXXEQTGAC-UHFFFAOYSA-N 1 2 325.368 2.335 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)n2cccc2)C1 ZINC001149588515 1315994922 /nfs/dbraw/zinc/99/49/22/1315994922.db2.gz MENQZZPPSWXMSO-CABCVRRESA-N 1 2 325.840 2.009 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)n2cccc2)C1 ZINC001149588515 1315994925 /nfs/dbraw/zinc/99/49/25/1315994925.db2.gz MENQZZPPSWXMSO-CABCVRRESA-N 1 2 325.840 2.009 20 30 EEEDLO C#CCCCC(=O)NC[C@H]1C[N@H+](Cc2nc(C)sc2C)CCCO1 ZINC001149640624 1316003934 /nfs/dbraw/zinc/00/39/34/1316003934.db2.gz UAHSOSDEWSDGCA-INIZCTEOSA-N 1 2 349.500 2.271 20 30 EEEDLO C#CCCCC(=O)NC[C@H]1C[N@@H+](Cc2nc(C)sc2C)CCCO1 ZINC001149640624 1316003938 /nfs/dbraw/zinc/00/39/38/1316003938.db2.gz UAHSOSDEWSDGCA-INIZCTEOSA-N 1 2 349.500 2.271 20 30 EEEDLO C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001149746373 1316035015 /nfs/dbraw/zinc/03/50/15/1316035015.db2.gz POQZZTGUJMQCJB-NEPJUHHUSA-N 1 2 326.334 2.060 20 30 EEEDLO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001149746373 1316035023 /nfs/dbraw/zinc/03/50/23/1316035023.db2.gz POQZZTGUJMQCJB-NEPJUHHUSA-N 1 2 326.334 2.060 20 30 EEEDLO C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001149746373 1316035030 /nfs/dbraw/zinc/03/50/30/1316035030.db2.gz POQZZTGUJMQCJB-NEPJUHHUSA-N 1 2 326.334 2.060 20 30 EEEDLO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001149746373 1316035034 /nfs/dbraw/zinc/03/50/34/1316035034.db2.gz POQZZTGUJMQCJB-NEPJUHHUSA-N 1 2 326.334 2.060 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccns2)CCCO1 ZINC001149772511 1316041828 /nfs/dbraw/zinc/04/18/28/1316041828.db2.gz RGDQDHJSVIRCTK-CQSZACIVSA-N 1 2 337.489 2.453 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccns2)CCCO1 ZINC001149772511 1316041831 /nfs/dbraw/zinc/04/18/31/1316041831.db2.gz RGDQDHJSVIRCTK-CQSZACIVSA-N 1 2 337.489 2.453 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)c2nc3cc(Br)ccc3[nH]2)CC1 ZINC001151824306 1316593232 /nfs/dbraw/zinc/59/32/32/1316593232.db2.gz ZDUQRVIUWPJJQI-UHFFFAOYSA-N 1 2 349.232 2.269 20 30 EEEDLO N#Cc1ccc2[nH]c(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc(=O)c2c1 ZINC001154555244 1317202123 /nfs/dbraw/zinc/20/21/23/1317202123.db2.gz ACPPQKLPJVAIBS-ZDUSSCGKSA-N 1 2 347.378 2.143 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CC(=O)Nc1nccs1 ZINC001154620416 1317236403 /nfs/dbraw/zinc/23/64/03/1317236403.db2.gz IVDGBPAYENTIOZ-GFCCVEGCSA-N 1 2 338.477 2.120 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)Nc1nccs1 ZINC001154620416 1317236408 /nfs/dbraw/zinc/23/64/08/1317236408.db2.gz IVDGBPAYENTIOZ-GFCCVEGCSA-N 1 2 338.477 2.120 20 30 EEEDLO CCCCCCCC[C@@H](O)C[N@@H+]1CCN(C2CCOCC2)C(=O)C1 ZINC001252129867 1317558882 /nfs/dbraw/zinc/55/88/82/1317558882.db2.gz GHRUOHAMQHMWHM-GOSISDBHSA-N 1 2 340.508 2.421 20 30 EEEDLO CCCCCCCC[C@@H](O)C[N@H+]1CCN(C2CCOCC2)C(=O)C1 ZINC001252129867 1317558888 /nfs/dbraw/zinc/55/88/88/1317558888.db2.gz GHRUOHAMQHMWHM-GOSISDBHSA-N 1 2 340.508 2.421 20 30 EEEDLO C=CCOC[C@H](O)C[NH+]1CC(Oc2ccc(C(F)(F)F)cc2)C1 ZINC001252472664 1317610775 /nfs/dbraw/zinc/61/07/75/1317610775.db2.gz XAUVQUBGZBFGLX-CYBMUJFWSA-N 1 2 331.334 2.332 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)COC ZINC001156110150 1317880165 /nfs/dbraw/zinc/88/01/65/1317880165.db2.gz FMPCQYJLHLWUIF-DGCLKSJQSA-N 1 2 335.286 2.394 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)COC ZINC001156110150 1317880169 /nfs/dbraw/zinc/88/01/69/1317880169.db2.gz FMPCQYJLHLWUIF-DGCLKSJQSA-N 1 2 335.286 2.394 20 30 EEEDLO C[NH+](C)Cc1nc(CSCCNc2cncc(C#N)n2)cs1 ZINC001157336918 1318572533 /nfs/dbraw/zinc/57/25/33/1318572533.db2.gz ULNNXJRKQSKKLX-UHFFFAOYSA-N 1 2 334.474 2.212 20 30 EEEDLO C[N@@H+](Cc1nccs1)C[C@H]1CCCCN1C(=O)CSCC#N ZINC001157572817 1318721099 /nfs/dbraw/zinc/72/10/99/1318721099.db2.gz ALNCVONEBACVGQ-CYBMUJFWSA-N 1 2 338.502 2.213 20 30 EEEDLO C[N@H+](Cc1nccs1)C[C@H]1CCCCN1C(=O)CSCC#N ZINC001157572817 1318721102 /nfs/dbraw/zinc/72/11/02/1318721102.db2.gz ALNCVONEBACVGQ-CYBMUJFWSA-N 1 2 338.502 2.213 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(=O)Nc1cc(C)no1 ZINC001157655679 1318773870 /nfs/dbraw/zinc/77/38/70/1318773870.db2.gz KBDCFVBUQYWXDU-OAHLLOKOSA-N 1 2 348.447 2.201 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(=O)Nc1cc(C)no1 ZINC001157655679 1318773881 /nfs/dbraw/zinc/77/38/81/1318773881.db2.gz KBDCFVBUQYWXDU-OAHLLOKOSA-N 1 2 348.447 2.201 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCCC[C@@H]1C[N@H+](C)CC(=O)Nc1ccccc1 ZINC001157695518 1318801184 /nfs/dbraw/zinc/80/11/84/1318801184.db2.gz CQCGUODRNMAVQE-NVXWUHKLSA-N 1 2 342.443 2.098 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(=O)Nc1ccccc1 ZINC001157695518 1318801193 /nfs/dbraw/zinc/80/11/93/1318801193.db2.gz CQCGUODRNMAVQE-NVXWUHKLSA-N 1 2 342.443 2.098 20 30 EEEDLO C=CCOCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc(C)oc1C ZINC001157706368 1318811365 /nfs/dbraw/zinc/81/13/65/1318811365.db2.gz ZQBYOSGRCQEJAE-MRXNPFEDSA-N 1 2 335.448 2.307 20 30 EEEDLO C=CCOCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc(C)oc1C ZINC001157706368 1318811374 /nfs/dbraw/zinc/81/13/74/1318811374.db2.gz ZQBYOSGRCQEJAE-MRXNPFEDSA-N 1 2 335.448 2.307 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC001157876339 1318912654 /nfs/dbraw/zinc/91/26/54/1318912654.db2.gz LZHBUAXPINIYEZ-APWZRJJASA-N 1 2 349.475 2.431 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC001157876339 1318912657 /nfs/dbraw/zinc/91/26/57/1318912657.db2.gz LZHBUAXPINIYEZ-APWZRJJASA-N 1 2 349.475 2.431 20 30 EEEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC001157908438 1318926398 /nfs/dbraw/zinc/92/63/98/1318926398.db2.gz UAZKVRYLGVUOBJ-LJQANCHMSA-N 1 2 342.487 2.446 20 30 EEEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc2n(n1)CCC2 ZINC001157908438 1318926402 /nfs/dbraw/zinc/92/64/02/1318926402.db2.gz UAZKVRYLGVUOBJ-LJQANCHMSA-N 1 2 342.487 2.446 20 30 EEEDLO N#Cc1cc(C[NH2+]CCCNC(=O)[C@@H](F)C(F)(F)F)ccc1F ZINC001158470878 1319253911 /nfs/dbraw/zinc/25/39/11/1319253911.db2.gz FHYKRAAFNRQCDU-GFCCVEGCSA-N 1 2 335.276 2.194 20 30 EEEDLO N#Cc1cc(C[NH2+]CCCNC(=O)C(F)C(F)(F)F)ccc1F ZINC001158470878 1319253885 /nfs/dbraw/zinc/25/38/85/1319253885.db2.gz FHYKRAAFNRQCDU-GFCCVEGCSA-N 1 2 335.276 2.194 20 30 EEEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCN(C(=O)c2ccccc2)CC1)C(=O)OCC ZINC001258637868 1319315526 /nfs/dbraw/zinc/31/55/26/1319315526.db2.gz HZEOXJYGWZJLJF-OXQOHEQNSA-N 1 2 342.439 2.389 20 30 EEEDLO CC(C)n1c[nH+]cc1CNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259116035 1319447360 /nfs/dbraw/zinc/44/73/60/1319447360.db2.gz GZQYKIBYDUUWJH-UHFFFAOYSA-N 1 2 338.820 2.468 20 30 EEEDLO C#CCC1(C(=O)NCCC2=CC[N@H+](Cc3ncccn3)CC2)CCC1 ZINC001160314238 1320130382 /nfs/dbraw/zinc/13/03/82/1320130382.db2.gz HZYFCAHUVJNTFK-UHFFFAOYSA-N 1 2 338.455 2.309 20 30 EEEDLO C#CCC1(C(=O)NCCC2=CC[N@@H+](Cc3ncccn3)CC2)CCC1 ZINC001160314238 1320130393 /nfs/dbraw/zinc/13/03/93/1320130393.db2.gz HZYFCAHUVJNTFK-UHFFFAOYSA-N 1 2 338.455 2.309 20 30 EEEDLO CC#CCCCC(=O)NCCC1=CC[N@H+](Cc2nc(C)no2)CC1 ZINC001160947001 1320327907 /nfs/dbraw/zinc/32/79/07/1320327907.db2.gz XBLXUIMBAICWRJ-UHFFFAOYSA-N 1 2 330.432 2.210 20 30 EEEDLO CC#CCCCC(=O)NCCC1=CC[N@@H+](Cc2nc(C)no2)CC1 ZINC001160947001 1320327911 /nfs/dbraw/zinc/32/79/11/1320327911.db2.gz XBLXUIMBAICWRJ-UHFFFAOYSA-N 1 2 330.432 2.210 20 30 EEEDLO N#Cc1cnc(N2CCc3onc(Cn4cc[nH+]c4)c3C2)c(Cl)c1 ZINC001165548627 1321544345 /nfs/dbraw/zinc/54/43/45/1321544345.db2.gz YYWDCHAEVSNQJE-UHFFFAOYSA-N 1 2 340.774 2.402 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2CCOC[C@@](O)(C(F)(F)F)C2)cc1 ZINC001204297242 1322107209 /nfs/dbraw/zinc/10/72/09/1322107209.db2.gz JFCXRHKOOORMHS-OAHLLOKOSA-N 1 2 331.334 2.377 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2CCOC[C@@](O)(C(F)(F)F)C2)cc1 ZINC001204297242 1322107213 /nfs/dbraw/zinc/10/72/13/1322107213.db2.gz JFCXRHKOOORMHS-OAHLLOKOSA-N 1 2 331.334 2.377 20 30 EEEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CCOC ZINC001263302049 1322455717 /nfs/dbraw/zinc/45/57/17/1322455717.db2.gz FOSPFFLAOCTKQM-UHFFFAOYSA-N 1 2 346.479 2.030 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2nc(C)c(C)o2)C[C@H]1C ZINC001206479113 1323506836 /nfs/dbraw/zinc/50/68/36/1323506836.db2.gz KOQZSFGPHWWXEH-DAXOMENPSA-N 1 2 335.448 2.209 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)c(C)o2)C[C@H]1C ZINC001206479113 1323506840 /nfs/dbraw/zinc/50/68/40/1323506840.db2.gz KOQZSFGPHWWXEH-DAXOMENPSA-N 1 2 335.448 2.209 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C(F)C(F)(F)F ZINC001207023252 1323796338 /nfs/dbraw/zinc/79/63/38/1323796338.db2.gz SCMMVFYDZWRSOT-HONMWMINSA-N 1 2 343.324 2.395 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C(F)C(F)(F)F ZINC001207023252 1323796347 /nfs/dbraw/zinc/79/63/47/1323796347.db2.gz SCMMVFYDZWRSOT-HONMWMINSA-N 1 2 343.324 2.395 20 30 EEEDLO N#Cc1cccc(C(=O)CN2CCCC3(C[NH+](Cc4cn[nH]c4)C3)C2)c1 ZINC001280021974 1324061693 /nfs/dbraw/zinc/06/16/93/1324061693.db2.gz MWYOZRPSLSGQJG-UHFFFAOYSA-N 1 2 349.438 2.062 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H]([NH2+]Cc2nc([C@@H](C)OCC)no2)C1 ZINC001207656804 1324073839 /nfs/dbraw/zinc/07/38/39/1324073839.db2.gz NNVZTUPDGFNHOA-ZIAGYGMSSA-N 1 2 336.436 2.214 20 30 EEEDLO C#CCCCC(=O)N1CCC[C@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC001207934638 1324220332 /nfs/dbraw/zinc/22/03/32/1324220332.db2.gz HAFICDBAHWHUCH-HNNXBMFYSA-N 1 2 342.399 2.214 20 30 EEEDLO C#CCCCC(=O)N1CCC[C@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001207944421 1324223722 /nfs/dbraw/zinc/22/37/22/1324223722.db2.gz MUAJMXUANHBTRK-AWEZNQCLSA-N 1 2 332.448 2.251 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(Cl)cc1 ZINC001316604469 1324303650 /nfs/dbraw/zinc/30/36/50/1324303650.db2.gz GTIBEFMVELVYFS-BBRMVZONSA-N 1 2 349.862 2.177 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(Cl)cc1 ZINC001316604469 1324303653 /nfs/dbraw/zinc/30/36/53/1324303653.db2.gz GTIBEFMVELVYFS-BBRMVZONSA-N 1 2 349.862 2.177 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2ncc(C)o2)C[C@H]1C ZINC001208129584 1324328680 /nfs/dbraw/zinc/32/86/80/1324328680.db2.gz XXNKKKASZMKRSN-DDUZABMNSA-N 1 2 335.448 2.148 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)o2)C[C@H]1C ZINC001208129584 1324328688 /nfs/dbraw/zinc/32/86/88/1324328688.db2.gz XXNKKKASZMKRSN-DDUZABMNSA-N 1 2 335.448 2.148 20 30 EEEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1CCc1cccc(F)c1 ZINC001208195849 1324353950 /nfs/dbraw/zinc/35/39/50/1324353950.db2.gz PHUZMTAPCOUEHR-KRWDZBQOSA-N 1 2 330.407 2.299 20 30 EEEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1CCc1cccc(F)c1 ZINC001208195849 1324353964 /nfs/dbraw/zinc/35/39/64/1324353964.db2.gz PHUZMTAPCOUEHR-KRWDZBQOSA-N 1 2 330.407 2.299 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)(F)F)C1 ZINC001208523357 1324540794 /nfs/dbraw/zinc/54/07/94/1324540794.db2.gz GVSHJSVMIAUBQL-PSASIEDQSA-N 1 2 325.197 2.377 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)(F)F)C1 ZINC001208523357 1324540800 /nfs/dbraw/zinc/54/08/00/1324540800.db2.gz GVSHJSVMIAUBQL-PSASIEDQSA-N 1 2 325.197 2.377 20 30 EEEDLO Cn1cc(C[NH+]2CC3(C2)CCCN(Cc2ccns2)C3)cc1C#N ZINC001276592049 1324678297 /nfs/dbraw/zinc/67/82/97/1324678297.db2.gz XYHOHFVDYFDWFE-UHFFFAOYSA-N 1 2 341.484 2.451 20 30 EEEDLO C=CCC1(C(=O)N2CCC[C@H]([NH2+]Cc3nnc(CC)o3)C2)CCC1 ZINC001209503963 1324950680 /nfs/dbraw/zinc/95/06/80/1324950680.db2.gz OGSSJSNZZRPGIR-AWEZNQCLSA-N 1 2 332.448 2.459 20 30 EEEDLO COC(=O)C1(C#N)CC[NH+](Cc2c[nH]c3ncc(Cl)cc23)CC1 ZINC001209602443 1324984095 /nfs/dbraw/zinc/98/40/95/1324984095.db2.gz DJFFDWYKYRBGSJ-UHFFFAOYSA-N 1 2 332.791 2.495 20 30 EEEDLO C[N@H+](CCNC(=O)c1ccnc2ccncc21)Cc1ccccc1C#N ZINC001492358593 1331184644 /nfs/dbraw/zinc/18/46/44/1331184644.db2.gz AIQZCHRYLMUGQX-UHFFFAOYSA-N 1 2 345.406 2.363 20 30 EEEDLO C[N@@H+](CCNC(=O)c1ccnc2ccncc21)Cc1ccccc1C#N ZINC001492358593 1331184647 /nfs/dbraw/zinc/18/46/47/1331184647.db2.gz AIQZCHRYLMUGQX-UHFFFAOYSA-N 1 2 345.406 2.363 20 30 EEEDLO C#CCNC(=O)C1CC[NH+](Cc2c(Cl)ccnc2Cl)CC1 ZINC001308715712 1331601833 /nfs/dbraw/zinc/60/18/33/1331601833.db2.gz NLSUUKLCYIEVPN-UHFFFAOYSA-N 1 2 326.227 2.350 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N[C@@H](C)CC)C2)CCC1 ZINC001317943413 1332447692 /nfs/dbraw/zinc/44/76/92/1332447692.db2.gz KBEJNUYBBSUJNL-JKSUJKDBSA-N 1 2 335.492 2.228 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N[C@@H](C)CC)C2)CCC1 ZINC001317943413 1332447695 /nfs/dbraw/zinc/44/76/95/1332447695.db2.gz KBEJNUYBBSUJNL-JKSUJKDBSA-N 1 2 335.492 2.228 20 30 EEEDLO C=C[C@H](COC)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC001324042008 1333593920 /nfs/dbraw/zinc/59/39/20/1333593920.db2.gz GOOQBCKTEPAIAH-MRXNPFEDSA-N 1 2 326.400 2.328 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCc2ccccc2C1 ZINC001339091575 1336957720 /nfs/dbraw/zinc/95/77/20/1336957720.db2.gz YCFIDWRVLHPDFV-UHFFFAOYSA-N 1 2 334.427 2.351 20 30 EEEDLO C#CCN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC(C)C ZINC001343010258 1337326384 /nfs/dbraw/zinc/32/63/84/1337326384.db2.gz ISKVTSPINWOUST-UHFFFAOYSA-N 1 2 328.464 2.097 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001347967802 1337528215 /nfs/dbraw/zinc/52/82/15/1337528215.db2.gz YTTAGXJKSSNEST-HNNXBMFYSA-N 1 2 340.475 2.239 20 30 EEEDLO CCCCCCCCCN(C)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC001348190687 1337544619 /nfs/dbraw/zinc/54/46/19/1337544619.db2.gz QVXBBFOXMSTYRI-UHFFFAOYSA-N 1 2 334.464 2.434 20 30 EEEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H](CF)C1 ZINC001355976758 1338777114 /nfs/dbraw/zinc/77/71/14/1338777114.db2.gz OAPJJGYSQHXUJH-CQSZACIVSA-N 1 2 332.427 2.364 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000933062110 1339046781 /nfs/dbraw/zinc/04/67/81/1339046781.db2.gz FWGNMBUICYCSMS-QZTJIDSGSA-N 1 2 346.471 2.173 20 30 EEEDLO C=CCCC(=O)N1CCC([C@@H]2[N@H+](Cc3cnn[nH]3)CC23CCC3)CC1 ZINC001575086153 1343731876 /nfs/dbraw/zinc/73/18/76/1343731876.db2.gz SJLQWEWMJAPGKS-SFHVURJKSA-N 1 2 343.475 2.364 20 30 EEEDLO C=CCCC(=O)N1CCC([C@@H]2[N@@H+](Cc3cnn[nH]3)CC23CCC3)CC1 ZINC001575086153 1343731880 /nfs/dbraw/zinc/73/18/80/1343731880.db2.gz SJLQWEWMJAPGKS-SFHVURJKSA-N 1 2 343.475 2.364 20 30 EEEDLO C=CCCC(=O)N1CCC([C@@H]2[N@H+](Cc3c[nH]nn3)CC23CCC3)CC1 ZINC001575086153 1343731881 /nfs/dbraw/zinc/73/18/81/1343731881.db2.gz SJLQWEWMJAPGKS-SFHVURJKSA-N 1 2 343.475 2.364 20 30 EEEDLO C=CCCC(=O)N1CCC([C@@H]2[N@@H+](Cc3c[nH]nn3)CC23CCC3)CC1 ZINC001575086153 1343731884 /nfs/dbraw/zinc/73/18/84/1343731884.db2.gz SJLQWEWMJAPGKS-SFHVURJKSA-N 1 2 343.475 2.364 20 30 EEEDLO C[C@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1nc(C#N)cs1 ZINC001590046048 1349126180 /nfs/dbraw/zinc/12/61/80/1349126180.db2.gz HRIDIWSDMNSIRZ-SNVBAGLBSA-N 1 2 325.401 2.388 20 30 EEEDLO C[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC001590046048 1349126186 /nfs/dbraw/zinc/12/61/86/1349126186.db2.gz HRIDIWSDMNSIRZ-SNVBAGLBSA-N 1 2 325.401 2.388 20 30 EEEDLO Cn1cc[nH+]c1NN=Cc1ccc(-c2nn[nH]n2)cc1C(F)(F)F ZINC001592585417 1349663546 /nfs/dbraw/zinc/66/35/46/1349663546.db2.gz JAVAOOTXGMDSFM-UHFFFAOYSA-N 1 2 336.281 2.065 20 30 EEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1CCC(C)(C)C1=O ZINC001602858536 1350597680 /nfs/dbraw/zinc/59/76/80/1350597680.db2.gz STCMOPDNQDFVKG-UHFFFAOYSA-N 1 2 340.431 2.071 20 30 EEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1CCC(C)(C)C1=O ZINC001602858536 1350597683 /nfs/dbraw/zinc/59/76/83/1350597683.db2.gz STCMOPDNQDFVKG-UHFFFAOYSA-N 1 2 340.431 2.071 20 30 EEEDLO COCCC[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001661035357 1354577181 /nfs/dbraw/zinc/57/71/81/1354577181.db2.gz SYGZAFDNHZUDKL-YJBOKZPZSA-N 1 2 329.444 2.311 20 30 EEEDLO COCCC[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001661035357 1354577182 /nfs/dbraw/zinc/57/71/82/1354577182.db2.gz SYGZAFDNHZUDKL-YJBOKZPZSA-N 1 2 329.444 2.311 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(OC)ns2)C1 ZINC001664986131 1355261045 /nfs/dbraw/zinc/26/10/45/1355261045.db2.gz XRYDUQAUEJITFN-CQSZACIVSA-N 1 2 335.473 2.426 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(OC)ns2)C1 ZINC001664986131 1355261050 /nfs/dbraw/zinc/26/10/50/1355261050.db2.gz XRYDUQAUEJITFN-CQSZACIVSA-N 1 2 335.473 2.426 20 30 EEEDLO Cc1oc(-c2ccco2)nc1C[N@@H+]1CC[C@H](NC(=O)C#CC2CC2)C1 ZINC001665459408 1355313352 /nfs/dbraw/zinc/31/33/52/1355313352.db2.gz QYWJIHOTVGIUMD-HNNXBMFYSA-N 1 2 339.395 2.347 20 30 EEEDLO Cc1oc(-c2ccco2)nc1C[N@H+]1CC[C@H](NC(=O)C#CC2CC2)C1 ZINC001665459408 1355313357 /nfs/dbraw/zinc/31/33/57/1355313357.db2.gz QYWJIHOTVGIUMD-HNNXBMFYSA-N 1 2 339.395 2.347 20 30 EEEDLO C[C@@H]1C(=NNCCC[NH+]2CCOCC2)CCCN1Cc1ccccc1 ZINC000814923616 1367778845 /nfs/dbraw/zinc/77/88/45/1367778845.db2.gz LOANRRHRWSXZDY-GOSISDBHSA-N 1 2 344.503 2.339 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(Cl)cc2)C[C@H]1O ZINC001192804592 1368426347 /nfs/dbraw/zinc/42/63/47/1368426347.db2.gz FXQCOIQKAPIVSN-KBRIMQKVSA-N 1 2 334.847 2.222 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(Cl)cc2)C[C@H]1O ZINC001192804592 1368426354 /nfs/dbraw/zinc/42/63/54/1368426354.db2.gz FXQCOIQKAPIVSN-KBRIMQKVSA-N 1 2 334.847 2.222 20 30 EEEDLO CC(C)=C(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001195380790 1368524493 /nfs/dbraw/zinc/52/44/93/1368524493.db2.gz PGUNIGSVLKOBJX-QZTJIDSGSA-N 1 2 345.418 2.105 20 30 EEEDLO CC(C)=C(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001195380790 1368524498 /nfs/dbraw/zinc/52/44/98/1368524498.db2.gz PGUNIGSVLKOBJX-QZTJIDSGSA-N 1 2 345.418 2.105 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCC[N@H+](CC(=O)N2CCCCC2)CC1 ZINC001195949581 1368580822 /nfs/dbraw/zinc/58/08/22/1368580822.db2.gz AGXMQRWNYKDIGD-UHFFFAOYSA-N 1 2 347.503 2.302 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCC[N@@H+](CC(=O)N2CCCCC2)CC1 ZINC001195949581 1368580826 /nfs/dbraw/zinc/58/08/26/1368580826.db2.gz AGXMQRWNYKDIGD-UHFFFAOYSA-N 1 2 347.503 2.302 20 30 EEEDLO C=CCCCC(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC001201294162 1368801998 /nfs/dbraw/zinc/80/19/98/1368801998.db2.gz SEFKMYIUHJZNTD-ZFWWWQNUSA-N 1 2 336.436 2.002 20 30 EEEDLO N#CC[C@@H]1CCC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000853525907 1369346842 /nfs/dbraw/zinc/34/68/42/1369346842.db2.gz JSDYXYVHPPIXOT-ZDUSSCGKSA-N 1 2 326.360 2.436 20 30 EEEDLO N#CC[C@@H]1CCC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000853525907 1369346844 /nfs/dbraw/zinc/34/68/44/1369346844.db2.gz JSDYXYVHPPIXOT-ZDUSSCGKSA-N 1 2 326.360 2.436 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)cnn1 ZINC001095357712 1369699213 /nfs/dbraw/zinc/69/92/13/1369699213.db2.gz RRMIZKCTMFIYHM-QYZOEREBSA-N 1 2 347.422 2.192 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)cnn1 ZINC001095357712 1369699216 /nfs/dbraw/zinc/69/92/16/1369699216.db2.gz RRMIZKCTMFIYHM-QYZOEREBSA-N 1 2 347.422 2.192 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC(CC)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001069597546 1370194842 /nfs/dbraw/zinc/19/48/42/1370194842.db2.gz IFLIVLSSSDMWKV-SFHVURJKSA-N 1 2 346.475 2.373 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)C2CCOCC2)CC[C@H]1C ZINC001071304888 1370467981 /nfs/dbraw/zinc/46/79/81/1370467981.db2.gz LOPYMBPUWWSOQE-TZMCWYRMSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)C2CCOCC2)CC[C@H]1C ZINC001071304888 1370467984 /nfs/dbraw/zinc/46/79/84/1370467984.db2.gz LOPYMBPUWWSOQE-TZMCWYRMSA-N 1 2 345.281 2.291 20 30 EEEDLO C[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001073732400 1370915649 /nfs/dbraw/zinc/91/56/49/1370915649.db2.gz NWDJRMRJNYOFQH-KBRIMQKVSA-N 1 2 345.418 2.060 20 30 EEEDLO C[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001073732400 1370915653 /nfs/dbraw/zinc/91/56/53/1370915653.db2.gz NWDJRMRJNYOFQH-KBRIMQKVSA-N 1 2 345.418 2.060 20 30 EEEDLO CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC001099680114 1371004223 /nfs/dbraw/zinc/00/42/23/1371004223.db2.gz AYSGBGIZEUEAGS-SJORKVTESA-N 1 2 347.434 2.185 20 30 EEEDLO CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC001099680114 1371004226 /nfs/dbraw/zinc/00/42/26/1371004226.db2.gz AYSGBGIZEUEAGS-SJORKVTESA-N 1 2 347.434 2.185 20 30 EEEDLO CCC(CC)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC001099695611 1371006990 /nfs/dbraw/zinc/00/69/90/1371006990.db2.gz KSIKJRVBYCKNKB-ROUUACIJSA-N 1 2 347.434 2.185 20 30 EEEDLO CCC(CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC001099695611 1371006991 /nfs/dbraw/zinc/00/69/91/1371006991.db2.gz KSIKJRVBYCKNKB-ROUUACIJSA-N 1 2 347.434 2.185 20 30 EEEDLO CCc1nnc([C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)o1 ZINC001111741514 1371236341 /nfs/dbraw/zinc/23/63/41/1371236341.db2.gz BSQGKVCUKDVZSU-WTANOLMUSA-N 1 2 342.443 2.077 20 30 EEEDLO CCc1nnc([C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)o1 ZINC001111741514 1371236346 /nfs/dbraw/zinc/23/63/46/1371236346.db2.gz BSQGKVCUKDVZSU-WTANOLMUSA-N 1 2 342.443 2.077 20 30 EEEDLO C[C@H](CC(=O)NCC1(Nc2ccc(C#N)cn2)CCC1)n1cc[nH+]c1 ZINC001111912088 1371303496 /nfs/dbraw/zinc/30/34/96/1371303496.db2.gz 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347.434 2.403 20 30 EEEDLO CO[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1)C(C)C ZINC000981877371 778465097 /nfs/dbraw/zinc/46/50/97/778465097.db2.gz DLZMNXSTCQEKBW-SFHVURJKSA-N 1 2 347.434 2.403 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001028149324 778500456 /nfs/dbraw/zinc/50/04/56/778500456.db2.gz CJHZRKXPWYZKQF-DGAVXFQQSA-N 1 2 343.265 2.043 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001028149324 778500460 /nfs/dbraw/zinc/50/04/60/778500460.db2.gz CJHZRKXPWYZKQF-DGAVXFQQSA-N 1 2 343.265 2.043 20 30 EEEDLO Cc1nnc([C@@H](C)[N@@H+]2C[C@@]3(C)CN(C(=O)[C@H](C)C#N)C[C@@]3(C)C2)s1 ZINC000982237110 779363309 /nfs/dbraw/zinc/36/33/09/779363309.db2.gz VTUGOPVFFNTDRQ-SKNMWMDOSA-N 1 2 347.488 2.238 20 30 EEEDLO Cc1nnc([C@@H](C)[N@H+]2C[C@@]3(C)CN(C(=O)[C@H](C)C#N)C[C@@]3(C)C2)s1 ZINC000982237110 779363313 /nfs/dbraw/zinc/36/33/13/779363313.db2.gz VTUGOPVFFNTDRQ-SKNMWMDOSA-N 1 2 347.488 2.238 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ncc(C)s2)cn1 ZINC001028270299 779838753 /nfs/dbraw/zinc/83/87/53/779838753.db2.gz GEFQXVXMVZHWEL-INIZCTEOSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ncc(C)s2)cn1 ZINC001028270299 779838764 /nfs/dbraw/zinc/83/87/64/779838764.db2.gz GEFQXVXMVZHWEL-INIZCTEOSA-N 1 2 340.452 2.222 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)c2C)[C@H]1C ZINC001088842501 780908529 /nfs/dbraw/zinc/90/85/29/780908529.db2.gz KNONCHNSFGUDEL-OCCSQVGLSA-N 1 2 340.265 2.435 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)c2C)[C@H]1C ZINC001088842501 780908532 /nfs/dbraw/zinc/90/85/32/780908532.db2.gz KNONCHNSFGUDEL-OCCSQVGLSA-N 1 2 340.265 2.435 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(C)on2)C1 ZINC001087461383 780942724 /nfs/dbraw/zinc/94/27/24/780942724.db2.gz FQHKFZYULUVXIN-SJLPKXTDSA-N 1 2 341.386 2.343 20 30 EEEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(C)on2)C1 ZINC001087461383 780942731 /nfs/dbraw/zinc/94/27/31/780942731.db2.gz FQHKFZYULUVXIN-SJLPKXTDSA-N 1 2 341.386 2.343 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001098684100 781019433 /nfs/dbraw/zinc/01/94/33/781019433.db2.gz NKQZFLPSCNTMMO-GOEBONIOSA-N 1 2 332.448 2.193 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CCC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098695632 781341782 /nfs/dbraw/zinc/34/17/82/781341782.db2.gz GXRSCHNQWCZFOC-NVXWUHKLSA-N 1 2 346.475 2.420 20 30 EEEDLO Cc1nc(N[C@@H](C)CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)ccc1C#N ZINC001098268418 781573010 /nfs/dbraw/zinc/57/30/10/781573010.db2.gz WRXJFWTWPCECJN-FZMZJTMJSA-N 1 2 338.415 2.022 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H]1C[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001091451194 790910354 /nfs/dbraw/zinc/91/03/54/790910354.db2.gz WRKJTGPJLWMXTR-JOCQHMNTSA-N 1 2 341.390 2.360 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2nnc(C)o2)C[C@@H]1C ZINC000942131662 781792178 /nfs/dbraw/zinc/79/21/78/781792178.db2.gz XWDWSTHWYMYXEN-DZGCQCFKSA-N 1 2 343.431 2.006 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2nnc(C)o2)C[C@@H]1C ZINC000942131662 781792182 /nfs/dbraw/zinc/79/21/82/781792182.db2.gz XWDWSTHWYMYXEN-DZGCQCFKSA-N 1 2 343.431 2.006 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC001131894676 783419164 /nfs/dbraw/zinc/41/91/64/783419164.db2.gz BFVSPEYECDTHRS-HOTGVXAUSA-N 1 2 347.459 2.173 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC001131894676 783419172 /nfs/dbraw/zinc/41/91/72/783419172.db2.gz BFVSPEYECDTHRS-HOTGVXAUSA-N 1 2 347.459 2.173 20 30 EEEDLO Cc1nsc(N[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)c1C#N ZINC001063406683 790945444 /nfs/dbraw/zinc/94/54/44/790945444.db2.gz LKOAUOHNPDKRNA-HAQNSBGRSA-N 1 2 344.444 2.128 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nccn2CC)C1 ZINC001131938999 783495484 /nfs/dbraw/zinc/49/54/84/783495484.db2.gz MTKRSASHDIDKOH-DLBZAZTESA-N 1 2 348.491 2.355 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nccn2CC)C1 ZINC001131938999 783495488 /nfs/dbraw/zinc/49/54/88/783495488.db2.gz MTKRSASHDIDKOH-DLBZAZTESA-N 1 2 348.491 2.355 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001033313874 783514703 /nfs/dbraw/zinc/51/47/03/783514703.db2.gz XVDQDEPGGGNTNB-OAHLLOKOSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001033313874 783514705 /nfs/dbraw/zinc/51/47/05/783514705.db2.gz XVDQDEPGGGNTNB-OAHLLOKOSA-N 1 2 345.834 2.166 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+]([C@H](C)c3ncccn3)C2)cc1 ZINC001033321695 783556708 /nfs/dbraw/zinc/55/67/08/783556708.db2.gz IFSCFXFGOCSEDV-CRAIPNDOSA-N 1 2 334.423 2.365 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+]([C@H](C)c3ncccn3)C2)cc1 ZINC001033321695 783556713 /nfs/dbraw/zinc/55/67/13/783556713.db2.gz IFSCFXFGOCSEDV-CRAIPNDOSA-N 1 2 334.423 2.365 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC2(CC[N@H+](Cc3ncc(Cl)n3C)C2)CC1 ZINC001035168094 783965630 /nfs/dbraw/zinc/96/56/30/783965630.db2.gz SIGXRFQRPDCCIL-CYBMUJFWSA-N 1 2 349.866 2.048 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC2(CC[N@@H+](Cc3ncc(Cl)n3C)C2)CC1 ZINC001035168094 783965639 /nfs/dbraw/zinc/96/56/39/783965639.db2.gz SIGXRFQRPDCCIL-CYBMUJFWSA-N 1 2 349.866 2.048 20 30 EEEDLO C#CCC1(C(=O)NCC[NH2+]Cc2nc(-c3ccsc3)no2)CCC1 ZINC001129129868 784170998 /nfs/dbraw/zinc/17/09/98/784170998.db2.gz HYTWLCZINMFGFM-UHFFFAOYSA-N 1 2 344.440 2.198 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2coc3c2cccc3OC)C1 ZINC001035373433 784393577 /nfs/dbraw/zinc/39/35/77/784393577.db2.gz HLEYYHNQPDTUKP-AWEZNQCLSA-N 1 2 344.411 2.448 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2coc3c2cccc3OC)C1 ZINC001035373433 784393586 /nfs/dbraw/zinc/39/35/86/784393586.db2.gz HLEYYHNQPDTUKP-AWEZNQCLSA-N 1 2 344.411 2.448 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc3scnc32)C1 ZINC001035364492 784413020 /nfs/dbraw/zinc/41/30/20/784413020.db2.gz AROHFFGITJQWLZ-CYBMUJFWSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccc3scnc32)C1 ZINC001035364492 784413025 /nfs/dbraw/zinc/41/30/25/784413025.db2.gz AROHFFGITJQWLZ-CYBMUJFWSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c(F)c(F)cc(F)c2F)C1 ZINC001035380147 784458970 /nfs/dbraw/zinc/45/89/70/784458970.db2.gz VBPPGPXNGRPAND-JTQLQIEISA-N 1 2 346.324 2.250 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c(F)c(F)cc(F)c2F)C1 ZINC001035380147 784458975 /nfs/dbraw/zinc/45/89/75/784458975.db2.gz VBPPGPXNGRPAND-JTQLQIEISA-N 1 2 346.324 2.250 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001035419699 784461779 /nfs/dbraw/zinc/46/17/79/784461779.db2.gz JBFMJZCFGAMVGT-RBUKOAKNSA-N 1 2 344.455 2.197 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001035419699 784461785 /nfs/dbraw/zinc/46/17/85/784461785.db2.gz JBFMJZCFGAMVGT-RBUKOAKNSA-N 1 2 344.455 2.197 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C)c3cccnc23)C1 ZINC001035447147 784544066 /nfs/dbraw/zinc/54/40/66/784544066.db2.gz RLPCBGDFXGFRMG-HNNXBMFYSA-N 1 2 325.412 2.160 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C)c3cccnc23)C1 ZINC001035447147 784544072 /nfs/dbraw/zinc/54/40/72/784544072.db2.gz RLPCBGDFXGFRMG-HNNXBMFYSA-N 1 2 325.412 2.160 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(Cl)c2F)C1 ZINC001035487891 784573044 /nfs/dbraw/zinc/57/30/44/784573044.db2.gz DTNIFWAJLQKUQG-GFCCVEGCSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccc(Cl)c2F)C1 ZINC001035487891 784573048 /nfs/dbraw/zinc/57/30/48/784573048.db2.gz DTNIFWAJLQKUQG-GFCCVEGCSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3ccncc3c2)C1 ZINC001035568178 784698869 /nfs/dbraw/zinc/69/88/69/784698869.db2.gz XPKDHNCMCSSCCC-SFHVURJKSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc3ccncc3c2)C1 ZINC001035568178 784698874 /nfs/dbraw/zinc/69/88/74/784698874.db2.gz XPKDHNCMCSSCCC-SFHVURJKSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001035597035 784751534 /nfs/dbraw/zinc/75/15/34/784751534.db2.gz HXSUQGTVXPOTRO-AWEZNQCLSA-N 1 2 338.835 2.355 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001035597035 784751540 /nfs/dbraw/zinc/75/15/40/784751540.db2.gz HXSUQGTVXPOTRO-AWEZNQCLSA-N 1 2 338.835 2.355 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cscc2C(F)(F)F)C1 ZINC001035629520 784824338 /nfs/dbraw/zinc/82/43/38/784824338.db2.gz HNXWARVGXIJOAR-NSHDSACASA-N 1 2 346.374 2.221 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cscc2C(F)(F)F)C1 ZINC001035629520 784824347 /nfs/dbraw/zinc/82/43/47/784824347.db2.gz HNXWARVGXIJOAR-NSHDSACASA-N 1 2 346.374 2.221 20 30 EEEDLO CC(C)n1ccc(C[NH+]2CC3(C2)CCN(C(=O)[C@@H](C)C#N)CC3)n1 ZINC001035668242 784955629 /nfs/dbraw/zinc/95/56/29/784955629.db2.gz FHIMYLQEHUBARI-HNNXBMFYSA-N 1 2 329.448 2.048 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cnn3c1CCC3)CC2 ZINC001035718869 785011420 /nfs/dbraw/zinc/01/14/20/785011420.db2.gz DCFRCEUIQYODES-UHFFFAOYSA-N 1 2 334.851 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C=C(C)C(C)(C)C(=O)NC/C=C\CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107464200 787316555 /nfs/dbraw/zinc/31/65/55/787316555.db2.gz RKTHHYOMKCYIEX-SREVYHEPSA-N 1 2 343.475 2.151 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC/C=C\CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107464200 787316564 /nfs/dbraw/zinc/31/65/64/787316564.db2.gz RKTHHYOMKCYIEX-SREVYHEPSA-N 1 2 343.475 2.151 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC/C=C/CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107495989 787416967 /nfs/dbraw/zinc/41/69/67/787416967.db2.gz PHMQXSVNURGOKY-IHHMQQGQSA-N 1 2 343.475 2.151 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC/C=C/CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107495989 787416973 /nfs/dbraw/zinc/41/69/73/787416973.db2.gz PHMQXSVNURGOKY-IHHMQQGQSA-N 1 2 343.475 2.151 20 30 EEEDLO Cc1nsc(NCCCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c1C#N ZINC001109637206 805812522 /nfs/dbraw/zinc/81/25/22/805812522.db2.gz LGQZMZBVMHVVGV-LBPRGKRZSA-N 1 2 346.460 2.431 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001062239239 787700863 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346.475 2.206 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001062316095 787878980 /nfs/dbraw/zinc/87/89/80/787878980.db2.gz NXOUYFPNYLDOHS-DOTOQJQBSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001062316095 787878995 /nfs/dbraw/zinc/87/89/95/787878995.db2.gz NXOUYFPNYLDOHS-DOTOQJQBSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001062364503 787969934 /nfs/dbraw/zinc/96/99/34/787969934.db2.gz XDIIVYXBNCGJOR-GDBMZVCRSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H](N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001079010810 788004782 /nfs/dbraw/zinc/00/47/82/788004782.db2.gz HSHFEPVJWAJBTL-KRWDZBQOSA-N 1 2 346.475 2.469 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001079014386 788129317 /nfs/dbraw/zinc/12/93/17/788129317.db2.gz HQOLUFXRHYBHAU-INIZCTEOSA-N 1 2 346.475 2.456 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079020153 788302896 /nfs/dbraw/zinc/30/28/96/788302896.db2.gz ZBWFOFJLHMNDSN-MRXNPFEDSA-N 1 2 346.475 2.394 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)[C@@H](O)C1 ZINC001090794720 788318173 /nfs/dbraw/zinc/31/81/73/788318173.db2.gz SGEZQYUMJYRJNY-HOCLYGCPSA-N 1 2 333.819 2.085 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)[C@@H](O)C1 ZINC001090794720 788318182 /nfs/dbraw/zinc/31/81/82/788318182.db2.gz SGEZQYUMJYRJNY-HOCLYGCPSA-N 1 2 333.819 2.085 20 30 EEEDLO COC(=O)C1(C#N)CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000824867514 788328041 /nfs/dbraw/zinc/32/80/41/788328041.db2.gz QVTOTGUFEZMRQE-UHFFFAOYSA-N 1 2 342.374 2.495 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001077722986 788674436 /nfs/dbraw/zinc/67/44/36/788674436.db2.gz LFRCVAJCLXHURR-KGLIPLIRSA-N 1 2 334.464 2.202 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001077722986 788674440 /nfs/dbraw/zinc/67/44/40/788674440.db2.gz LFRCVAJCLXHURR-KGLIPLIRSA-N 1 2 334.464 2.202 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001077723306 788675711 /nfs/dbraw/zinc/67/57/11/788675711.db2.gz UMPPSAUKVFFPOY-GJZGRUSLSA-N 1 2 334.464 2.448 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1OC ZINC001090932671 789031088 /nfs/dbraw/zinc/03/10/88/789031088.db2.gz MPMMWAKVHOSERB-HZPDHXFCSA-N 1 2 346.475 2.324 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1OC ZINC001090941592 789096625 /nfs/dbraw/zinc/09/66/25/789096625.db2.gz XNCRAFNWTCZVCG-MDZRGWNJSA-N 1 2 346.475 2.324 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001060261803 789200384 /nfs/dbraw/zinc/20/03/84/789200384.db2.gz ZRUQSWRGBQHRBD-OAHLLOKOSA-N 1 2 332.448 2.053 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)n1 ZINC001060266617 789245411 /nfs/dbraw/zinc/24/54/11/789245411.db2.gz UPDNZLGRVXLMHL-HNNXBMFYSA-N 1 2 338.415 2.021 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2nccs2)CC1 ZINC001006015223 789300205 /nfs/dbraw/zinc/30/02/05/789300205.db2.gz DXBZDNIEMYPQGE-CABCVRRESA-N 1 2 335.473 2.157 20 30 EEEDLO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3ccc(C#N)cn3)C2)C1 ZINC001144154076 789303770 /nfs/dbraw/zinc/30/37/70/789303770.db2.gz YQCHQIGSIACLRS-UHFFFAOYSA-N 1 2 328.416 2.396 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CCC(OC2C[NH+](CC=C(C)C)C2)CC1 ZINC001105735873 789313102 /nfs/dbraw/zinc/31/31/02/789313102.db2.gz CFTIPGHCLIGJGU-INIZCTEOSA-N 1 2 336.476 2.236 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091016325 789416319 /nfs/dbraw/zinc/41/63/19/789416319.db2.gz YODWZEIFERDIOV-GZBFAFLISA-N 1 2 342.447 2.224 20 30 EEEDLO C=CCCC(=O)N1CCO[C@@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@@H]21 ZINC001091038033 789524928 /nfs/dbraw/zinc/52/49/28/789524928.db2.gz JHOSBVUREJNYRT-JKSUJKDBSA-N 1 2 342.443 2.045 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2cccc(Cl)c2)C1 ZINC001108180007 789535893 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339.395 2.072 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)C(C)(C)C1(C)C)C2 ZINC001110206200 798929849 /nfs/dbraw/zinc/92/98/49/798929849.db2.gz DEOOFCOANVXKGB-ILXRZTDVSA-N 1 2 347.503 2.082 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)C(C)(C)C1(C)C)C2 ZINC001110206200 798929856 /nfs/dbraw/zinc/92/98/56/798929856.db2.gz DEOOFCOANVXKGB-ILXRZTDVSA-N 1 2 347.503 2.082 20 30 EEEDLO C[C@@H](F)CC[N@@H+]1CCn2ncc(CNC(=O)C#CC(C)(C)C)c2C1 ZINC001128351328 799009177 /nfs/dbraw/zinc/00/91/77/799009177.db2.gz VFQUUJPLPINDGO-CQSZACIVSA-N 1 2 334.439 2.113 20 30 EEEDLO C[C@@H](F)CC[N@H+]1CCn2ncc(CNC(=O)C#CC(C)(C)C)c2C1 ZINC001128351328 799009187 /nfs/dbraw/zinc/00/91/87/799009187.db2.gz VFQUUJPLPINDGO-CQSZACIVSA-N 1 2 334.439 2.113 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@](C)(CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001065467861 799086947 /nfs/dbraw/zinc/08/69/47/799086947.db2.gz AIQJOWBNMRSSDB-GOSISDBHSA-N 1 2 346.479 2.109 20 30 EEEDLO 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Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)n[nH]1 ZINC001032933778 800475889 /nfs/dbraw/zinc/47/58/89/800475889.db2.gz BGHFVSIBLDMMOZ-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO CN(C(=O)c1ccon1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032935491 800481367 /nfs/dbraw/zinc/48/13/67/800481367.db2.gz RLHGGZOZZWAXKX-CQSZACIVSA-N 1 2 328.347 2.032 20 30 EEEDLO CN(C(=O)c1ccon1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032935491 800481370 /nfs/dbraw/zinc/48/13/70/800481370.db2.gz RLHGGZOZZWAXKX-CQSZACIVSA-N 1 2 328.347 2.032 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)C1=CCOCC1 ZINC001085561968 800768370 /nfs/dbraw/zinc/76/83/70/800768370.db2.gz ZWWLDAWSAUJDQL-IBGZPJMESA-N 1 2 342.414 2.057 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)C1=CCOCC1 ZINC001085561968 800768375 /nfs/dbraw/zinc/76/83/75/800768375.db2.gz ZWWLDAWSAUJDQL-IBGZPJMESA-N 1 2 342.414 2.057 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C(C)C)o2)C1 ZINC001181468537 800798675 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340.452 2.174 20 30 EEEDLO Cc1nc[nH]c1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001086003044 801903316 /nfs/dbraw/zinc/90/33/16/801903316.db2.gz YRVHAONPHUTXBA-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1nc[nH]c1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001086003044 801903322 /nfs/dbraw/zinc/90/33/22/801903322.db2.gz YRVHAONPHUTXBA-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO CCCc1n[nH]cc1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004479948 802184318 /nfs/dbraw/zinc/18/43/18/802184318.db2.gz HDQVLPYGBUXIMK-QGZVFWFLSA-N 1 2 329.448 2.202 20 30 EEEDLO CCCc1n[nH]cc1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004479948 802184324 /nfs/dbraw/zinc/18/43/24/802184324.db2.gz HDQVLPYGBUXIMK-QGZVFWFLSA-N 1 2 329.448 2.202 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001185071541 802335726 /nfs/dbraw/zinc/33/57/26/802335726.db2.gz YOXKWTINJKPAMR-DZGCQCFKSA-N 1 2 332.448 2.315 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 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C=CCC[N@H+]1CCO[C@](C)(CNC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC001108400012 803467120 /nfs/dbraw/zinc/46/71/20/803467120.db2.gz BGZRURHVIXKFAW-LJQANCHMSA-N 1 2 346.475 2.075 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2nsc3ccccc23)C1 ZINC001108412877 803516943 /nfs/dbraw/zinc/51/69/43/803516943.db2.gz OCJXGYIHGVBADJ-SFHVURJKSA-N 1 2 345.468 2.232 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2nsc3ccccc23)C1 ZINC001108412877 803516944 /nfs/dbraw/zinc/51/69/44/803516944.db2.gz OCJXGYIHGVBADJ-SFHVURJKSA-N 1 2 345.468 2.232 20 30 EEEDLO C#CCC1(C(=O)NC[C@@]2(C)C[N@H+](CC#CC)CCO2)CCCCC1 ZINC001108429881 803543760 /nfs/dbraw/zinc/54/37/60/803543760.db2.gz QQLJJIHMVKVFCU-IBGZPJMESA-N 1 2 330.472 2.191 20 30 EEEDLO C#CCC1(C(=O)NC[C@@]2(C)C[N@@H+](CC#CC)CCO2)CCCCC1 ZINC001108429881 803543762 /nfs/dbraw/zinc/54/37/62/803543762.db2.gz QQLJJIHMVKVFCU-IBGZPJMESA-N 1 2 330.472 2.191 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](OCC)c2ccccc2)C1 ZINC001108434051 803564434 /nfs/dbraw/zinc/56/44/34/803564434.db2.gz MAACRUIVHVUVIZ-MJGOQNOKSA-N 1 2 332.444 2.157 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](OCC)c2ccccc2)C1 ZINC001108434051 803564436 /nfs/dbraw/zinc/56/44/36/803564436.db2.gz MAACRUIVHVUVIZ-MJGOQNOKSA-N 1 2 332.444 2.157 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)CNc2cc(C)[nH+]c(C3CC3)n2)nc1 ZINC001108457411 803696080 /nfs/dbraw/zinc/69/60/80/803696080.db2.gz BJEZYHUKLHVTAK-ZDUSSCGKSA-N 1 2 335.411 2.269 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](C)CCC(C)(C)C)CC2=O)C1 ZINC001108586703 804213768 /nfs/dbraw/zinc/21/37/68/804213768.db2.gz BHEFQKVFQKPYEL-HOTGVXAUSA-N 1 2 349.519 2.426 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H](CCC)CC(C)C)CC2=O)C1 ZINC001108591705 804263154 /nfs/dbraw/zinc/26/31/54/804263154.db2.gz CHOLKBXPTRBTRN-JKSUJKDBSA-N 1 2 335.492 2.036 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CNc1ncc(C#N)cc1Cl ZINC001108741300 804436674 /nfs/dbraw/zinc/43/66/74/804436674.db2.gz UDEIQCBNZTVWGH-MNOVXSKESA-N 1 2 346.822 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337.508 2.285 20 30 EEEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C(C)(C)CC(C)(C)C)CC1 ZINC001131396918 812789776 /nfs/dbraw/zinc/78/97/76/812789776.db2.gz KXFFCWODOGEBGH-UHFFFAOYSA-N 1 2 337.508 2.285 20 30 EEEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001437776705 1090356314 /nfs/dbraw/zinc/35/63/14/1090356314.db2.gz CZHMPVLGWPKRRV-QGZVFWFLSA-N 1 2 327.428 2.065 20 30 EEEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001437776705 1090356319 /nfs/dbraw/zinc/35/63/19/1090356319.db2.gz CZHMPVLGWPKRRV-QGZVFWFLSA-N 1 2 327.428 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1ccc(OC)c(OC)c1 ZINC001445863951 1091782810 /nfs/dbraw/zinc/78/28/10/1091782810.db2.gz SMGGFSTXJMKHSA-ZDUSSCGKSA-N 1 2 340.851 2.435 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1ccc(OC)c(OC)c1 ZINC001445863951 1091782818 /nfs/dbraw/zinc/78/28/18/1091782818.db2.gz SMGGFSTXJMKHSA-ZDUSSCGKSA-N 1 2 340.851 2.435 20 30 EEEDLO CC(F)(F)C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001439841891 1092848679 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EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1cncnc1C ZINC001502163744 1113622337 /nfs/dbraw/zinc/62/23/37/1113622337.db2.gz USOQFOCIKUKGBZ-UHFFFAOYSA-N 1 2 341.253 2.088 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1cncnc1C ZINC001502163744 1113622334 /nfs/dbraw/zinc/62/23/34/1113622334.db2.gz USOQFOCIKUKGBZ-UHFFFAOYSA-N 1 2 341.253 2.088 20 30 EEEDLO COc1cccc(NC(=O)[C@@H](C#N)C(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001524028424 1119963296 /nfs/dbraw/zinc/96/32/96/1119963296.db2.gz BQIKEIINZUJBOH-JKSUJKDBSA-N 1 2 329.400 2.215 20 30 EEEDLO COc1cccc(NC(=O)[C@@H](C#N)C(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001524028424 1119963300 /nfs/dbraw/zinc/96/33/00/1119963300.db2.gz BQIKEIINZUJBOH-JKSUJKDBSA-N 1 2 329.400 2.215 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1[C@H](/N=C\c2ccccc2O)CCC(=O)N1C1CC1 ZINC001548917871 1124594382 /nfs/dbraw/zinc/59/43/82/1124594382.db2.gz YZTLPGCLRNRJOI-JHMCCRADSA-N 1 2 338.411 2.439 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000131485954 282396404 /nfs/dbraw/zinc/39/64/04/282396404.db2.gz UMCIEZNYKAEFLJ-INIZCTEOSA-N 1 2 335.835 2.475 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000131485954 282396407 /nfs/dbraw/zinc/39/64/07/282396407.db2.gz UMCIEZNYKAEFLJ-INIZCTEOSA-N 1 2 335.835 2.475 20 30 EEEDLO O=C(NCc1cc(Cl)c2c(c1)OCCO2)N1CCn2cc[nH+]c2C1 ZINC000329470021 539774793 /nfs/dbraw/zinc/77/47/93/539774793.db2.gz XXXXCFHJXJBHOZ-UHFFFAOYSA-N 1 2 348.790 2.238 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(O)CC1 ZINC000108356621 237122829 /nfs/dbraw/zinc/12/28/29/237122829.db2.gz ISXIQOCYPKANNV-CYBMUJFWSA-N 1 2 333.457 2.334 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC(C)(C)C#N)c1ccccc1F ZINC000349723525 238192982 /nfs/dbraw/zinc/19/29/82/238192982.db2.gz OXYGDSXRKKIUGD-AWEZNQCLSA-N 1 2 329.379 2.498 20 30 EEEDLO COC1(C(F)(F)F)CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000419327516 239476119 /nfs/dbraw/zinc/47/61/19/239476119.db2.gz MUAUJETVICTPGO-CYBMUJFWSA-N 1 2 335.370 2.084 20 30 EEEDLO C=CCCn1cc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)nn1 ZINC000424546881 240970124 /nfs/dbraw/zinc/97/01/24/240970124.db2.gz RBXWYKPYFDCDJU-UHFFFAOYSA-N 1 2 339.443 2.121 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCN(CC)C(=O)C1(C)C ZINC000426107520 241217850 /nfs/dbraw/zinc/21/78/50/241217850.db2.gz YZXHHSPQHSNWKI-KRWDZBQOSA-N 1 2 346.471 2.098 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCN(CC)C(=O)C1(C)C ZINC000426107520 241217859 /nfs/dbraw/zinc/21/78/59/241217859.db2.gz YZXHHSPQHSNWKI-KRWDZBQOSA-N 1 2 346.471 2.098 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCOc2ccc(OC)cc2C1 ZINC000451640911 243187468 /nfs/dbraw/zinc/18/74/68/243187468.db2.gz FYRJIDOBDCENOV-OAHLLOKOSA-N 1 2 330.428 2.479 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCOc2ccc(OC)cc2C1 ZINC000451640911 243187473 /nfs/dbraw/zinc/18/74/73/243187473.db2.gz FYRJIDOBDCENOV-OAHLLOKOSA-N 1 2 330.428 2.479 20 30 EEEDLO CN(Cc1[nH+]ccn1C)C(=O)CCCCOc1cccc(C#N)c1 ZINC000110607557 220047582 /nfs/dbraw/zinc/04/75/82/220047582.db2.gz FJUDPWFPBQUJQR-UHFFFAOYSA-N 1 2 326.400 2.499 20 30 EEEDLO N#Cc1cccc(OCCN2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000081019182 217352450 /nfs/dbraw/zinc/35/24/50/217352450.db2.gz NJOMBLZGHDGPFH-UHFFFAOYSA-N 1 2 337.423 2.460 20 30 EEEDLO N#Cc1ccc(NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)cc1 ZINC000264054600 246020547 /nfs/dbraw/zinc/02/05/47/246020547.db2.gz CDZQMNIFPIORLF-UHFFFAOYSA-N 1 2 335.411 2.267 20 30 EEEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000491427776 246028655 /nfs/dbraw/zinc/02/86/55/246028655.db2.gz MBGHCVNFESZGDW-KRWDZBQOSA-N 1 2 340.402 2.190 20 30 EEEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000491427776 246028660 /nfs/dbraw/zinc/02/86/60/246028660.db2.gz MBGHCVNFESZGDW-KRWDZBQOSA-N 1 2 340.402 2.190 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000491554983 246072062 /nfs/dbraw/zinc/07/20/62/246072062.db2.gz NWXXABGPUCQAMN-BRWVUGGUSA-N 1 2 330.476 2.231 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000491554983 246072065 /nfs/dbraw/zinc/07/20/65/246072065.db2.gz NWXXABGPUCQAMN-BRWVUGGUSA-N 1 2 330.476 2.231 20 30 EEEDLO C#CCN(C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1)C1CC1 ZINC000491730406 246128558 /nfs/dbraw/zinc/12/85/58/246128558.db2.gz OUDPVDUPSMTUKI-QGZVFWFLSA-N 1 2 338.411 2.325 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495331537 247125299 /nfs/dbraw/zinc/12/52/99/247125299.db2.gz PCIHPRJPOWDWHC-CABCVRRESA-N 1 2 339.480 2.256 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495331537 247125304 /nfs/dbraw/zinc/12/53/04/247125304.db2.gz PCIHPRJPOWDWHC-CABCVRRESA-N 1 2 339.480 2.256 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2C2CC2)CC1 ZINC000491453252 533158705 /nfs/dbraw/zinc/15/87/05/533158705.db2.gz QKIXQFHTQLVTIV-UHFFFAOYSA-N 1 2 325.391 2.174 20 30 EEEDLO COCCOC1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000116886776 221003921 /nfs/dbraw/zinc/00/39/21/221003921.db2.gz OPYLJDUTXVEZOY-CYBMUJFWSA-N 1 2 349.431 2.223 20 30 EEEDLO C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000491373951 533279672 /nfs/dbraw/zinc/27/96/72/533279672.db2.gz PFBADLJCRXKSNV-ZDUSSCGKSA-N 1 2 338.411 2.181 20 30 EEEDLO C#C[C@H](CC)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000491802550 533300025 /nfs/dbraw/zinc/30/00/25/533300025.db2.gz GFMBWLPUAGXZHN-CYBMUJFWSA-N 1 2 338.411 2.229 20 30 EEEDLO C#C[C@H](CCC)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000491786027 533307916 /nfs/dbraw/zinc/30/79/16/533307916.db2.gz SGMNYIPHHGJWHW-CYBMUJFWSA-N 1 2 338.411 2.307 20 30 EEEDLO CCN(CCNc1ccc(C#N)c(C)n1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001106967801 781995002 /nfs/dbraw/zinc/99/50/02/781995002.db2.gz ZZRGDGPFGYZOQR-ZDUSSCGKSA-N 1 2 340.431 2.124 20 30 EEEDLO CCN(CCNc1ccc(C#N)c(C)n1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001106967801 781995000 /nfs/dbraw/zinc/99/50/00/781995000.db2.gz ZZRGDGPFGYZOQR-ZDUSSCGKSA-N 1 2 340.431 2.124 20 30 EEEDLO Cn1cc[nH+]c1CNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000078488510 159119515 /nfs/dbraw/zinc/11/95/15/159119515.db2.gz AFZJBUYUGZAWRM-UHFFFAOYSA-N 1 2 336.351 2.394 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc4cnccn34)CC2)c(F)c1 ZINC000092596858 159224209 /nfs/dbraw/zinc/22/42/09/159224209.db2.gz QTPPORLKQPVEPY-UHFFFAOYSA-N 1 2 336.374 2.062 20 30 EEEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cnccc1C#N ZINC000342288176 161054040 /nfs/dbraw/zinc/05/40/40/161054040.db2.gz UBPKSKLWQHGESE-UHFFFAOYSA-N 1 2 336.395 2.346 20 30 EEEDLO N#Cc1ccncc1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000345236312 161284260 /nfs/dbraw/zinc/28/42/60/161284260.db2.gz GOPWDDVUKBUVGH-DAXSKMNVSA-N 1 2 332.407 2.424 20 30 EEEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000345541335 161310083 /nfs/dbraw/zinc/31/00/83/161310083.db2.gz MAVMLJUAUNITNT-RYUDHWBXSA-N 1 2 341.864 2.315 20 30 EEEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000345541335 161310084 /nfs/dbraw/zinc/31/00/84/161310084.db2.gz MAVMLJUAUNITNT-RYUDHWBXSA-N 1 2 341.864 2.315 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCc1noc(-c2cnn(C)c2C#N)n1 ZINC000346944453 161413173 /nfs/dbraw/zinc/41/31/73/161413173.db2.gz GKONUVOUOCJRQA-UHFFFAOYSA-N 1 2 333.355 2.243 20 30 EEEDLO N#Cc1ccc(NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1Cl ZINC000355369473 163164495 /nfs/dbraw/zinc/16/44/95/163164495.db2.gz PNAWYBXCYQCPIU-UHFFFAOYSA-N 1 2 344.806 2.284 20 30 EEEDLO CC[C@@H](C(=O)Nc1cc(C#N)ccc1NC)[N@@H+]1CCO[C@H](CC)C1 ZINC000355643461 163257345 /nfs/dbraw/zinc/25/73/45/163257345.db2.gz MFBXHHGYNFFYRH-PBHICJAKSA-N 1 2 330.432 2.428 20 30 EEEDLO CC[C@@H](C(=O)Nc1cc(C#N)ccc1NC)[N@H+]1CCO[C@H](CC)C1 ZINC000355643461 163257348 /nfs/dbraw/zinc/25/73/48/163257348.db2.gz MFBXHHGYNFFYRH-PBHICJAKSA-N 1 2 330.432 2.428 20 30 EEEDLO Cn1cc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c(-c2ccccc2)n1 ZINC000359761616 164166744 /nfs/dbraw/zinc/16/67/44/164166744.db2.gz CSPJXCOJDUNZMB-IBGZPJMESA-N 1 2 345.406 2.275 20 30 EEEDLO CCN1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000360727849 164369929 /nfs/dbraw/zinc/36/99/29/164369929.db2.gz ICDIGECAXYOXIK-WMLDXEAASA-N 1 2 337.427 2.290 20 30 EEEDLO Cc1cc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n(C)n1 ZINC000367209624 165927881 /nfs/dbraw/zinc/92/78/81/165927881.db2.gz SOLYGGFCQRMJSW-UHFFFAOYSA-N 1 2 335.411 2.328 20 30 EEEDLO Cc1cc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n(C)n1 ZINC000367209624 165927882 /nfs/dbraw/zinc/92/78/82/165927882.db2.gz SOLYGGFCQRMJSW-UHFFFAOYSA-N 1 2 335.411 2.328 20 30 EEEDLO Cc1cc(N2CC[NH+](Cc3ccncc3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413028103 269914439 /nfs/dbraw/zinc/91/44/39/269914439.db2.gz OEHGSCVVSJIGGA-UHFFFAOYSA-N 1 2 337.383 2.492 20 30 EEEDLO Cc1nccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000332549858 270019002 /nfs/dbraw/zinc/01/90/02/270019002.db2.gz OYUJBEWMLCISCM-UHFFFAOYSA-N 1 2 336.399 2.006 20 30 EEEDLO CCN(C)C(=O)[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)C ZINC000296510897 266101456 /nfs/dbraw/zinc/10/14/56/266101456.db2.gz ZUQQHPJSUQEENI-INIZCTEOSA-N 1 2 341.415 2.201 20 30 EEEDLO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000295601169 266256599 /nfs/dbraw/zinc/25/65/99/266256599.db2.gz NDKOASYSGSYXMB-JBEBIEQOSA-N 1 2 348.468 2.395 20 30 EEEDLO CC[N@H+](Cc1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1)C1CC1 ZINC000523117990 267069813 /nfs/dbraw/zinc/06/98/13/267069813.db2.gz KEEWHMCBDIVSLW-UHFFFAOYSA-N 1 2 334.383 2.390 20 30 EEEDLO CC[N@@H+](Cc1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1)C1CC1 ZINC000523117990 267069814 /nfs/dbraw/zinc/06/98/14/267069814.db2.gz KEEWHMCBDIVSLW-UHFFFAOYSA-N 1 2 334.383 2.390 20 30 EEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000301107737 267073779 /nfs/dbraw/zinc/07/37/79/267073779.db2.gz UXYZFBXUDFOQEC-IAGOWNOFSA-N 1 2 340.471 2.185 20 30 EEEDLO Cc1cc(S(=O)(=O)NCc2cn3c(cccc3C)[nH+]2)ccc1C#N ZINC000443904259 268017670 /nfs/dbraw/zinc/01/76/70/268017670.db2.gz FAMSVUAMXSMQSO-UHFFFAOYSA-N 1 2 340.408 2.301 20 30 EEEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@](O)(C(F)(F)F)C3)o2)c1 ZINC000332145264 268228277 /nfs/dbraw/zinc/22/82/77/268228277.db2.gz QTSMFMGJPJMQQH-CQSZACIVSA-N 1 2 338.289 2.107 20 30 EEEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@](O)(C(F)(F)F)C3)o2)c1 ZINC000332145264 268228278 /nfs/dbraw/zinc/22/82/78/268228278.db2.gz QTSMFMGJPJMQQH-CQSZACIVSA-N 1 2 338.289 2.107 20 30 EEEDLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268657453 277375489 /nfs/dbraw/zinc/37/54/89/277375489.db2.gz LEUZTRKTFMSGDA-OALUTQOASA-N 1 2 336.391 2.364 20 30 EEEDLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268657453 277375490 /nfs/dbraw/zinc/37/54/90/277375490.db2.gz LEUZTRKTFMSGDA-OALUTQOASA-N 1 2 336.391 2.364 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nonc3C)[C@@H]2CC)cc1 ZINC001087681591 782058877 /nfs/dbraw/zinc/05/88/77/782058877.db2.gz FFKZKXQBYSLDDC-FUHWJXTLSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nonc3C)[C@@H]2CC)cc1 ZINC001087681591 782058866 /nfs/dbraw/zinc/05/88/66/782058866.db2.gz FFKZKXQBYSLDDC-FUHWJXTLSA-N 1 2 338.411 2.142 20 30 EEEDLO N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000159969752 294971213 /nfs/dbraw/zinc/97/12/13/294971213.db2.gz ITELKYBUDJULGU-INIZCTEOSA-N 1 2 349.438 2.056 20 30 EEEDLO N#Cc1cccc(-c2nnc(N3CCn4cc[nH+]c4C3)n2C2CC2)c1 ZINC000565117065 319150969 /nfs/dbraw/zinc/15/09/69/319150969.db2.gz LUYOBYXJERMPRL-UHFFFAOYSA-N 1 2 331.383 2.368 20 30 EEEDLO Cc1cc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)on1 ZINC000194139749 323496324 /nfs/dbraw/zinc/49/63/24/323496324.db2.gz FGWRMOXRJIFHTA-UHFFFAOYSA-N 1 2 339.355 2.425 20 30 EEEDLO N#Cc1cc2c(nc1N1CC[NH+](Cc3ccsc3)CC1)CCOC2 ZINC000580814785 324132290 /nfs/dbraw/zinc/13/22/90/324132290.db2.gz VGUADNJCPCYKDL-UHFFFAOYSA-N 1 2 340.452 2.410 20 30 EEEDLO CC(C)(C)C1=CC[N@H+](CCNC(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000330044128 465515655 /nfs/dbraw/zinc/51/56/55/465515655.db2.gz CQPINZSSVMAZDQ-AWEZNQCLSA-N 1 2 342.505 2.446 20 30 EEEDLO CC(C)(C)C1=CC[N@@H+](CCNC(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000330044128 465515659 /nfs/dbraw/zinc/51/56/59/465515659.db2.gz CQPINZSSVMAZDQ-AWEZNQCLSA-N 1 2 342.505 2.446 20 30 EEEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000341190539 465043362 /nfs/dbraw/zinc/04/33/62/465043362.db2.gz NEGJCWKVECEIKF-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO [O-]C(N[C@H]1CCOc2c(F)cccc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000328601091 465066168 /nfs/dbraw/zinc/06/61/68/465066168.db2.gz DXYWKXVJIYBJQX-RISCZKNCSA-N 1 2 330.363 2.364 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)Nc2ccsc2)cn1 ZINC000328633716 465081079 /nfs/dbraw/zinc/08/10/79/465081079.db2.gz MESOGFCSJXNZBE-JSGCOSHPSA-N 1 2 337.424 2.420 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)Nc2ccsc2)cn1 ZINC000328633716 465081086 /nfs/dbraw/zinc/08/10/86/465081086.db2.gz MESOGFCSJXNZBE-JSGCOSHPSA-N 1 2 337.424 2.420 20 30 EEEDLO N#CCCOCC[NH2+][C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000339098867 465081655 /nfs/dbraw/zinc/08/16/55/465081655.db2.gz UKIBILQHOICBSZ-CYBMUJFWSA-N 1 2 339.321 2.433 20 30 EEEDLO N#CCCN(CC1CC1)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347576057 465099937 /nfs/dbraw/zinc/09/99/37/465099937.db2.gz DSHNJVIKFCLBAG-UHFFFAOYSA-N 1 2 327.428 2.285 20 30 EEEDLO C[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000328724476 465110719 /nfs/dbraw/zinc/11/07/19/465110719.db2.gz SWBVRFFWRMRYQV-CBBWQLFWSA-N 1 2 337.443 2.025 20 30 EEEDLO COC[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(C)o1 ZINC000347634079 465136854 /nfs/dbraw/zinc/13/68/54/465136854.db2.gz ILADAZVEHQHAKX-MRXNPFEDSA-N 1 2 327.384 2.053 20 30 EEEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CCO[C@H]1C1CC1)C2 ZINC000328844305 465145441 /nfs/dbraw/zinc/14/54/41/465145441.db2.gz QZGRHBFNNUHOAM-CJNGLKHVSA-N 1 2 332.448 2.383 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000339243462 465162710 /nfs/dbraw/zinc/16/27/10/465162710.db2.gz GOMSWFICPJMZSN-KRWDZBQOSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000339243462 465162712 /nfs/dbraw/zinc/16/27/12/465162712.db2.gz GOMSWFICPJMZSN-KRWDZBQOSA-N 1 2 346.475 2.442 20 30 EEEDLO CCc1nnc([C@H](C)NC(=O)C2CC[NH+](Cc3nccn3C)CC2)[nH]1 ZINC000328908776 465165347 /nfs/dbraw/zinc/16/53/47/465165347.db2.gz DEKLSBLAQWFRNA-LBPRGKRZSA-N 1 2 345.451 2.030 20 30 EEEDLO CCc1nc([C@H](C)NC(=O)C2CC[NH+](Cc3nccn3C)CC2)n[nH]1 ZINC000328908776 465165353 /nfs/dbraw/zinc/16/53/53/465165353.db2.gz DEKLSBLAQWFRNA-LBPRGKRZSA-N 1 2 345.451 2.030 20 30 EEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@@H]2CCO[C@@H]2C)cc1 ZINC000328926466 465170844 /nfs/dbraw/zinc/17/08/44/465170844.db2.gz OUYMNLVFNHMSQI-NXHRZFHOSA-N 1 2 347.459 2.049 20 30 EEEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@H]1CC12CCCC2 ZINC000328936745 465173648 /nfs/dbraw/zinc/17/36/48/465173648.db2.gz QWENHYKOUNNFHL-MRXNPFEDSA-N 1 2 333.476 2.468 20 30 EEEDLO CCCn1cc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1 ZINC000355197106 465232866 /nfs/dbraw/zinc/23/28/66/465232866.db2.gz KXOHVECLMTUILC-BEFAXECRSA-N 1 2 335.411 2.139 20 30 EEEDLO CCCn1cc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1 ZINC000355197106 465232870 /nfs/dbraw/zinc/23/28/70/465232870.db2.gz KXOHVECLMTUILC-BEFAXECRSA-N 1 2 335.411 2.139 20 30 EEEDLO C=CC[C@H](CO)CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000341702856 465255560 /nfs/dbraw/zinc/25/55/60/465255560.db2.gz LKQUAEUCYPCCBK-INIZCTEOSA-N 1 2 332.448 2.056 20 30 EEEDLO C=CC[C@H](CO)CNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000341873556 465272783 /nfs/dbraw/zinc/27/27/83/465272783.db2.gz ZVOAIDXVFPDEDQ-INIZCTEOSA-N 1 2 332.448 2.056 20 30 EEEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000355857345 465275937 /nfs/dbraw/zinc/27/59/37/465275937.db2.gz MOKHGXNNNUCRAI-AWEZNQCLSA-N 1 2 330.432 2.330 20 30 EEEDLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000355857345 465275941 /nfs/dbraw/zinc/27/59/41/465275941.db2.gz MOKHGXNNNUCRAI-AWEZNQCLSA-N 1 2 330.432 2.330 20 30 EEEDLO N#CCCCOc1cccnc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000341958304 465278445 /nfs/dbraw/zinc/27/84/45/465278445.db2.gz MPDVGXFIQRKQSW-ZDUSSCGKSA-N 1 2 340.387 2.097 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000341993620 465282730 /nfs/dbraw/zinc/28/27/30/465282730.db2.gz RJPXBDYQBNZNEM-AWEZNQCLSA-N 1 2 336.457 2.403 20 30 EEEDLO CC(C)[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1nc(C2CC2)no1 ZINC000520812938 468273213 /nfs/dbraw/zinc/27/32/13/468273213.db2.gz JQWZBJWAOSQGHR-AWEZNQCLSA-N 1 2 337.387 2.348 20 30 EEEDLO Cc1cccn2cc(CCNc3nc4c(cc3C#N)COCC4)[nH+]c12 ZINC000590692376 468307688 /nfs/dbraw/zinc/30/76/88/468307688.db2.gz MOXPORNLKAINJO-UHFFFAOYSA-N 1 2 333.395 2.637 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2CC(C)C)CC1 ZINC000491155896 468310961 /nfs/dbraw/zinc/31/09/61/468310961.db2.gz WHYBWTAFRATPHG-UHFFFAOYSA-N 1 2 343.500 2.342 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccncc2)cc1 ZINC000579113357 468312218 /nfs/dbraw/zinc/31/22/18/468312218.db2.gz VAFIQPMNFLVKOO-INIZCTEOSA-N 1 2 326.400 2.492 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccncc2)cc1 ZINC000579113357 468312221 /nfs/dbraw/zinc/31/22/21/468312221.db2.gz VAFIQPMNFLVKOO-INIZCTEOSA-N 1 2 326.400 2.492 20 30 EEEDLO C[C@H]1CN(c2ccc(CNC(=O)c3cccc(C#N)c3)c[nH+]2)CCO1 ZINC000046718330 462698383 /nfs/dbraw/zinc/69/83/83/462698383.db2.gz IYOSBHYPJRGAKA-AWEZNQCLSA-N 1 2 336.395 2.108 20 30 EEEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000130150633 462742287 /nfs/dbraw/zinc/74/22/87/462742287.db2.gz UHOLACSVXZDKGN-CQSZACIVSA-N 1 2 333.457 2.274 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCC2(C1)OCCO2 ZINC000090563648 462799579 /nfs/dbraw/zinc/79/95/79/462799579.db2.gz OANKMSCRZZPZHF-GFCCVEGCSA-N 1 2 349.818 2.378 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCCC2(C1)OCCO2 ZINC000090563648 462799584 /nfs/dbraw/zinc/79/95/84/462799584.db2.gz OANKMSCRZZPZHF-GFCCVEGCSA-N 1 2 349.818 2.378 20 30 EEEDLO C[N@H+](Cc1ccccc1F)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000077397711 462979660 /nfs/dbraw/zinc/97/96/60/462979660.db2.gz WCOWZIGSZYBEMF-KRWDZBQOSA-N 1 2 337.354 2.461 20 30 EEEDLO C[N@@H+](Cc1ccccc1F)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000077397711 462979664 /nfs/dbraw/zinc/97/96/64/462979664.db2.gz WCOWZIGSZYBEMF-KRWDZBQOSA-N 1 2 337.354 2.461 20 30 EEEDLO Cc1cc(N2CCN(C(=O)C3(C#N)CCC3)CC2)nc(C(C)C)[nH+]1 ZINC000134529555 463052236 /nfs/dbraw/zinc/05/22/36/463052236.db2.gz RVGKUHIYDTUCJP-UHFFFAOYSA-N 1 2 327.432 2.251 20 30 EEEDLO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000023057651 463060195 /nfs/dbraw/zinc/06/01/95/463060195.db2.gz JUHGKCNDIPFCCG-QGZVFWFLSA-N 1 2 340.471 2.077 20 30 EEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC000023057651 463060201 /nfs/dbraw/zinc/06/02/01/463060201.db2.gz JUHGKCNDIPFCCG-QGZVFWFLSA-N 1 2 340.471 2.077 20 30 EEEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)c3ccsc3)CC2)cc1 ZINC000052239701 463070809 /nfs/dbraw/zinc/07/08/09/463070809.db2.gz RMSDLGZCMSEYQG-UHFFFAOYSA-N 1 2 341.436 2.457 20 30 EEEDLO CCc1nnc(Nc2ccc(N3CCOCC3)[nH+]c2)c(C#N)c1CC ZINC000121387423 463126459 /nfs/dbraw/zinc/12/64/59/463126459.db2.gz ATDXKIOYGBNOFJ-UHFFFAOYSA-N 1 2 338.415 2.448 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2nc(C)c(C)s2)CC1 ZINC000157542373 463141530 /nfs/dbraw/zinc/14/15/30/463141530.db2.gz AEUPLAGQCGEVRE-HNNXBMFYSA-N 1 2 348.516 2.471 20 30 EEEDLO C=CC[N@@H+](C)CC(=O)Nc1ccccc1I ZINC000121554154 463157079 /nfs/dbraw/zinc/15/70/79/463157079.db2.gz MUDFOCBUUOSIHT-UHFFFAOYSA-N 1 2 330.169 2.348 20 30 EEEDLO C=CC[N@H+](C)CC(=O)Nc1ccccc1I ZINC000121554154 463157083 /nfs/dbraw/zinc/15/70/83/463157083.db2.gz MUDFOCBUUOSIHT-UHFFFAOYSA-N 1 2 330.169 2.348 20 30 EEEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c(C#N)c1C ZINC000135557781 463174934 /nfs/dbraw/zinc/17/49/34/463174934.db2.gz GLNIJGJPBPEKSD-HNNXBMFYSA-N 1 2 341.415 2.450 20 30 EEEDLO Cc1oc(NC(=O)C[N@H+](C)[C@H]2CCCc3c2cnn3C)c(C#N)c1C ZINC000135557781 463174939 /nfs/dbraw/zinc/17/49/39/463174939.db2.gz GLNIJGJPBPEKSD-HNNXBMFYSA-N 1 2 341.415 2.450 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000069032874 463200240 /nfs/dbraw/zinc/20/02/40/463200240.db2.gz GJKMLAGYMZFXGD-HNNXBMFYSA-N 1 2 348.878 2.470 20 30 EEEDLO C=CCNc1ncc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)s1 ZINC000136072895 463216809 /nfs/dbraw/zinc/21/68/09/463216809.db2.gz WPZDAMDTOZMYBD-UHFFFAOYSA-N 1 2 335.458 2.438 20 30 EEEDLO C=CCNc1ncc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)s1 ZINC000136072895 463216811 /nfs/dbraw/zinc/21/68/11/463216811.db2.gz WPZDAMDTOZMYBD-UHFFFAOYSA-N 1 2 335.458 2.438 20 30 EEEDLO CSc1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000079814452 463251008 /nfs/dbraw/zinc/25/10/08/463251008.db2.gz INTSPWZRCYWUIJ-UHFFFAOYSA-N 1 2 348.472 2.488 20 30 EEEDLO Cc1nc(CN2CC[NH+](CCOc3ccccc3C#N)CC2)oc1C ZINC000069872015 463342025 /nfs/dbraw/zinc/34/20/25/463342025.db2.gz REBQTWNJJFUTRY-UHFFFAOYSA-N 1 2 340.427 2.360 20 30 EEEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)N(C(C)C)C(C)C)cs1 ZINC000072920173 463563767 /nfs/dbraw/zinc/56/37/67/463563767.db2.gz AZIOVOHCVADMPH-NSHDSACASA-N 1 2 326.466 2.317 20 30 EEEDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000125770800 463576284 /nfs/dbraw/zinc/57/62/84/463576284.db2.gz RXMZDNAAVOAJEV-DLBZAZTESA-N 1 2 332.400 2.131 20 30 EEEDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000125770800 463576287 /nfs/dbraw/zinc/57/62/87/463576287.db2.gz RXMZDNAAVOAJEV-DLBZAZTESA-N 1 2 332.400 2.131 20 30 EEEDLO N#CCC[C@H](C#N)C[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000125837169 463584341 /nfs/dbraw/zinc/58/43/41/463584341.db2.gz HDFZSYGTCALAMN-OAHLLOKOSA-N 1 2 328.391 2.417 20 30 EEEDLO N#CCC[C@H](C#N)C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000125837169 463584345 /nfs/dbraw/zinc/58/43/45/463584345.db2.gz HDFZSYGTCALAMN-OAHLLOKOSA-N 1 2 328.391 2.417 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N([C@@H](C)C2CC2)C2CC2)cc1 ZINC000177474522 463714166 /nfs/dbraw/zinc/71/41/66/463714166.db2.gz MOEUPMCADZNKLP-LBPRGKRZSA-N 1 2 331.416 2.122 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000184952610 463724754 /nfs/dbraw/zinc/72/47/54/463724754.db2.gz RXZFOZXNHPXONO-UHFFFAOYSA-N 1 2 348.443 2.101 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000184952610 463724760 /nfs/dbraw/zinc/72/47/60/463724760.db2.gz RXZFOZXNHPXONO-UHFFFAOYSA-N 1 2 348.443 2.101 20 30 EEEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000268515255 463775514 /nfs/dbraw/zinc/77/55/14/463775514.db2.gz TUCPFRBEJHXQJU-CHWSQXEVSA-N 1 2 326.400 2.088 20 30 EEEDLO CCCCC[C@H](C)NC(=O)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000178144988 463851940 /nfs/dbraw/zinc/85/19/40/463851940.db2.gz NWDCUEJVHXNTFV-NSHDSACASA-N 1 2 326.466 2.368 20 30 EEEDLO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287278082 463855246 /nfs/dbraw/zinc/85/52/46/463855246.db2.gz LOJBHCADJOAOJG-GFCCVEGCSA-N 1 2 336.233 2.279 20 30 EEEDLO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287278082 463855252 /nfs/dbraw/zinc/85/52/52/463855252.db2.gz LOJBHCADJOAOJG-GFCCVEGCSA-N 1 2 336.233 2.279 20 30 EEEDLO CCC1(CC)C[N@@H+]([C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CCS1 ZINC000329784259 465434281 /nfs/dbraw/zinc/43/42/81/465434281.db2.gz VUMQDTHOPZTCTF-OLZOCXBDSA-N 1 2 348.534 2.126 20 30 EEEDLO CCC1(CC)C[N@H+]([C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CCS1 ZINC000329784259 465434287 /nfs/dbraw/zinc/43/42/87/465434287.db2.gz VUMQDTHOPZTCTF-OLZOCXBDSA-N 1 2 348.534 2.126 20 30 EEEDLO CC(C)C[C@@H](NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1)c1ccccc1 ZINC000284020036 464071828 /nfs/dbraw/zinc/07/18/28/464071828.db2.gz IBTYXQWDYIJSQC-CVEARBPZSA-N 1 2 333.432 2.358 20 30 EEEDLO C[C@H](NC(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1ccc2ccccc2c1 ZINC000284036675 464073354 /nfs/dbraw/zinc/07/33/54/464073354.db2.gz ITBDVGTWZCIIED-SUMWQHHRSA-N 1 2 341.411 2.485 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCCCCF)CC2)cc1 ZINC000284232791 464119178 /nfs/dbraw/zinc/11/91/78/464119178.db2.gz VDVXIQSJFCKYQM-UHFFFAOYSA-N 1 2 339.436 2.004 20 30 EEEDLO C=CCN1CC[C@H]([NH+]2CCC(O)(c3ccccc3Cl)CC2)C1=O ZINC000281193384 464365815 /nfs/dbraw/zinc/36/58/15/464365815.db2.gz BXQKCTMPRRMTQF-INIZCTEOSA-N 1 2 334.847 2.410 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)c2nc3ccccc3c(=O)[nH]2)C1=O ZINC000281235173 464380876 /nfs/dbraw/zinc/38/08/76/464380876.db2.gz FRLUAZDQEKVUBX-WFASDCNBSA-N 1 2 326.400 2.115 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2nc3ccccc3c(=O)[nH]2)C1=O ZINC000281235173 464380884 /nfs/dbraw/zinc/38/08/84/464380884.db2.gz FRLUAZDQEKVUBX-WFASDCNBSA-N 1 2 326.400 2.115 20 30 EEEDLO CN1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1c1nc(C2CC2)no1 ZINC000284927418 464395622 /nfs/dbraw/zinc/39/56/22/464395622.db2.gz PVGCORQICNMFQM-MRXNPFEDSA-N 1 2 341.390 2.446 20 30 EEEDLO CN1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1c1nc(C2CC2)no1 ZINC000284927418 464395630 /nfs/dbraw/zinc/39/56/30/464395630.db2.gz PVGCORQICNMFQM-MRXNPFEDSA-N 1 2 341.390 2.446 20 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/nfs/dbraw/zinc/60/55/02/464605502.db2.gz AVNMVOXQZFZACU-UHFFFAOYSA-N 1 2 335.414 2.370 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000182232703 464605507 /nfs/dbraw/zinc/60/55/07/464605507.db2.gz AVNMVOXQZFZACU-UHFFFAOYSA-N 1 2 335.414 2.370 20 30 EEEDLO CC(C)[C@@H](C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000265602351 464614708 /nfs/dbraw/zinc/61/47/08/464614708.db2.gz VHHHRFCPFAXYRG-WMLDXEAASA-N 1 2 332.423 2.001 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Br)cn2C)C1=O ZINC000281978836 464656141 /nfs/dbraw/zinc/65/61/41/464656141.db2.gz LVFSCJALBWTZAZ-ZDUSSCGKSA-N 1 2 326.238 2.006 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Br)cn2C)C1=O ZINC000281978836 464656145 /nfs/dbraw/zinc/65/61/45/464656145.db2.gz LVFSCJALBWTZAZ-ZDUSSCGKSA-N 1 2 326.238 2.006 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000247249521 464661202 /nfs/dbraw/zinc/66/12/02/464661202.db2.gz VZIXFJXBMZQLHQ-ZIAGYGMSSA-N 1 2 333.457 2.334 20 30 EEEDLO 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ZINC000268168449 464953676 /nfs/dbraw/zinc/95/36/76/464953676.db2.gz RSKNRPWPUCYYAP-QGZVFWFLSA-N 1 2 349.438 2.046 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)c3cc(C#N)ccn3)CC2)cs1 ZINC000253404547 465001520 /nfs/dbraw/zinc/00/15/20/465001520.db2.gz LZUYIOZZIHPVHO-UHFFFAOYSA-N 1 2 341.440 2.066 20 30 EEEDLO Cc1nc(C[N@H+]2CCCN(C(=O)c3cc(C#N)ccn3)CC2)cs1 ZINC000253404547 465001523 /nfs/dbraw/zinc/00/15/23/465001523.db2.gz LZUYIOZZIHPVHO-UHFFFAOYSA-N 1 2 341.440 2.066 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@H]3[C@@H](CCS3(=O)=O)C2)c(C(F)(F)F)c1 ZINC000356341536 465323973 /nfs/dbraw/zinc/32/39/73/465323973.db2.gz KQVGFHUMSKBRPU-JSGCOSHPSA-N 1 2 344.358 2.196 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](CCS3(=O)=O)C2)c(C(F)(F)F)c1 ZINC000356341536 465323984 /nfs/dbraw/zinc/32/39/84/465323984.db2.gz KQVGFHUMSKBRPU-JSGCOSHPSA-N 1 2 344.358 2.196 20 30 EEEDLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329439473 465334260 /nfs/dbraw/zinc/33/42/60/465334260.db2.gz 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C=C[C@H](CO)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000359245788 465389101 /nfs/dbraw/zinc/38/91/01/465389101.db2.gz SGYZNLOLEGJGIO-NVXWUHKLSA-N 1 2 328.416 2.087 20 30 EEEDLO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)[C@@H]1C[C@]12CCOC2 ZINC000329643698 465395622 /nfs/dbraw/zinc/39/56/22/465395622.db2.gz IGQQIRNNAWUXRH-SCTDSRPQSA-N 1 2 330.428 2.443 20 30 EEEDLO C=CCN(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000359391366 465402942 /nfs/dbraw/zinc/40/29/42/465402942.db2.gz RQLVNAURMXCUSB-UHFFFAOYSA-N 1 2 325.328 2.322 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1)[NH+]1CCSCC1 ZINC000329708109 465412868 /nfs/dbraw/zinc/41/28/68/465412868.db2.gz KYKPXTQVZOGGHJ-BHPKHCPMSA-N 1 2 341.477 2.047 20 30 EEEDLO Cc1nc(C)c(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)s1 ZINC000329844445 465450071 /nfs/dbraw/zinc/45/00/71/465450071.db2.gz XTAKMPLCVWUWLZ-AWEZNQCLSA-N 1 2 338.477 2.492 20 30 EEEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000339706362 465457849 /nfs/dbraw/zinc/45/78/49/465457849.db2.gz RMWQTGKWIWTNSH-UHFFFAOYSA-N 1 2 348.406 2.165 20 30 EEEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352467425 465531133 /nfs/dbraw/zinc/53/11/33/465531133.db2.gz KGZUAGJDXWPOKK-LBPRGKRZSA-N 1 2 332.379 2.300 20 30 EEEDLO CCCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348333615 465555284 /nfs/dbraw/zinc/55/52/84/465555284.db2.gz ZZDKCZUESRIBBC-RHSMWYFYSA-N 1 2 348.878 2.437 20 30 EEEDLO CC[C@H](NC(=O)N1CCn2cc[nH+]c2C1)c1nnc2n1CCCCC2 ZINC000330197927 465565691 /nfs/dbraw/zinc/56/56/91/465565691.db2.gz SMMRHZKMEMPZTO-ZDUSSCGKSA-N 1 2 343.435 2.082 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccnn1C ZINC000348361312 465566920 /nfs/dbraw/zinc/56/69/20/465566920.db2.gz AIFWPUXHENNMIC-LLVKDONJSA-N 1 2 343.456 2.301 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccnn1C ZINC000348361312 465566923 /nfs/dbraw/zinc/56/69/23/465566923.db2.gz AIFWPUXHENNMIC-LLVKDONJSA-N 1 2 343.456 2.301 20 30 EEEDLO CCOC(=O)[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)[C@@H](C)CC ZINC000299147065 465623508 /nfs/dbraw/zinc/62/35/08/465623508.db2.gz WQVATDINTMRCNQ-SUMWQHHRSA-N 1 2 331.416 2.454 20 30 EEEDLO C=C[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000362469852 465764787 /nfs/dbraw/zinc/76/47/87/465764787.db2.gz CXPIBRFRDGGVQS-MRXNPFEDSA-N 1 2 330.432 2.168 20 30 EEEDLO C=CCCCN(C)C(=O)[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000345135713 465833106 /nfs/dbraw/zinc/83/31/06/465833106.db2.gz UNCWMHWNUQEOGJ-MAUKXSAKSA-N 1 2 344.459 2.287 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000345413079 465863907 /nfs/dbraw/zinc/86/39/07/465863907.db2.gz XHLJWUVVUHJIPJ-QAPCUYQASA-N 1 2 342.443 2.063 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000346036678 465926879 /nfs/dbraw/zinc/92/68/79/465926879.db2.gz LXGBKYULDYOCFN-NXHRZFHOSA-N 1 2 329.444 2.268 20 30 EEEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC(C)(C)OC[C@@H]2C)c(C)c1 ZINC000331108097 465936775 /nfs/dbraw/zinc/93/67/75/465936775.db2.gz APFIERNBTCUQFE-AWEZNQCLSA-N 1 2 333.432 2.464 20 30 EEEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC(C)(C)OC[C@@H]2C)c(C)c1 ZINC000331108097 465936781 /nfs/dbraw/zinc/93/67/81/465936781.db2.gz APFIERNBTCUQFE-AWEZNQCLSA-N 1 2 333.432 2.464 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000361375736 465946170 /nfs/dbraw/zinc/94/61/70/465946170.db2.gz DOHLYXNAKQABIU-WMZOPIPTSA-N 1 2 338.411 2.385 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000361375736 465946176 /nfs/dbraw/zinc/94/61/76/465946176.db2.gz DOHLYXNAKQABIU-WMZOPIPTSA-N 1 2 338.411 2.385 20 30 EEEDLO C=C(Br)CN1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000362815750 466048098 /nfs/dbraw/zinc/04/80/98/466048098.db2.gz XPBYGLLVOGBHJD-AWEZNQCLSA-N 1 2 349.232 2.024 20 30 EEEDLO C=CCOCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000346323636 466082727 /nfs/dbraw/zinc/08/27/27/466082727.db2.gz LWQDFTOHJFZDRB-WBVHZDCISA-N 1 2 338.835 2.031 20 30 EEEDLO C=CCOCC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000346323636 466082729 /nfs/dbraw/zinc/08/27/29/466082729.db2.gz LWQDFTOHJFZDRB-WBVHZDCISA-N 1 2 338.835 2.031 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361574549 466110685 /nfs/dbraw/zinc/11/06/85/466110685.db2.gz YCAAMMPXISCDQO-SFHVURJKSA-N 1 2 327.428 2.294 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361574549 466110690 /nfs/dbraw/zinc/11/06/90/466110690.db2.gz YCAAMMPXISCDQO-SFHVURJKSA-N 1 2 327.428 2.294 20 30 EEEDLO Cc1nc(C)n(C[C@H]2C[N@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)n1 ZINC000331716706 466214066 /nfs/dbraw/zinc/21/40/66/466214066.db2.gz IFYLTENYYZXWTK-SCLBCKFNSA-N 1 2 325.416 2.229 20 30 EEEDLO Cc1nc(C)n(C[C@H]2C[N@@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)n1 ZINC000331716706 466214073 /nfs/dbraw/zinc/21/40/73/466214073.db2.gz IFYLTENYYZXWTK-SCLBCKFNSA-N 1 2 325.416 2.229 20 30 EEEDLO COc1ccc(F)c(N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)c1 ZINC000361731472 466241541 /nfs/dbraw/zinc/24/15/41/466241541.db2.gz GSXYQEHXVRKJSL-UHFFFAOYSA-N 1 2 328.391 2.367 20 30 EEEDLO N#CCOc1ccccc1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000363290521 466328032 /nfs/dbraw/zinc/32/80/32/466328032.db2.gz CFISUAQWXZRTEG-UHFFFAOYSA-N 1 2 333.351 2.100 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2C[C@@H](OC)C[C@@H]2C(=O)OC)cc1OC ZINC000372399183 466352598 /nfs/dbraw/zinc/35/25/98/466352598.db2.gz DAKSFTIWOPRSRC-LSDHHAIUSA-N 1 2 335.400 2.022 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2C[C@@H](OC)C[C@@H]2C(=O)OC)cc1OC ZINC000372399183 466352601 /nfs/dbraw/zinc/35/26/01/466352601.db2.gz DAKSFTIWOPRSRC-LSDHHAIUSA-N 1 2 335.400 2.022 20 30 EEEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)[C@H]1C ZINC000347131475 466415683 /nfs/dbraw/zinc/41/56/83/466415683.db2.gz REMTUAQGJYAQQX-STQMWFEESA-N 1 2 347.440 2.124 20 30 EEEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)[C@H]1C ZINC000347131475 466415691 /nfs/dbraw/zinc/41/56/91/466415691.db2.gz REMTUAQGJYAQQX-STQMWFEESA-N 1 2 347.440 2.124 20 30 EEEDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000317402275 466579985 /nfs/dbraw/zinc/57/99/85/466579985.db2.gz WRQOZZKTKAOYIL-LBPRGKRZSA-N 1 2 341.864 2.316 20 30 EEEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCn2c[nH+]cc2C1 ZINC000368189720 466586406 /nfs/dbraw/zinc/58/64/06/466586406.db2.gz JNLJYOASBPFYPZ-UHFFFAOYSA-N 1 2 348.328 2.479 20 30 EEEDLO N#Cc1ccc(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000347385070 466601789 /nfs/dbraw/zinc/60/17/89/466601789.db2.gz LNFJEBYNBLMJHE-UHFFFAOYSA-N 1 2 335.407 2.320 20 30 EEEDLO CCc1[nH+]c2ccccc2n1C1CCN(S(=O)(=O)[C@H](C)C#N)CC1 ZINC000416450479 466734603 /nfs/dbraw/zinc/73/46/03/466734603.db2.gz MRTTXLRHABPPJD-CYBMUJFWSA-N 1 2 346.456 2.477 20 30 EEEDLO N#Cc1ccc(C2=CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1 ZINC000365249089 466756708 /nfs/dbraw/zinc/75/67/08/466756708.db2.gz PTMXQGJGIFILDY-UHFFFAOYSA-N 1 2 347.422 2.479 20 30 EEEDLO N#Cc1ccc(C2=CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1 ZINC000365249089 466756711 /nfs/dbraw/zinc/75/67/11/466756711.db2.gz PTMXQGJGIFILDY-UHFFFAOYSA-N 1 2 347.422 2.479 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000370369014 466851636 /nfs/dbraw/zinc/85/16/36/466851636.db2.gz ZDBCTHOPXFODRD-ROUUACIJSA-N 1 2 345.443 2.189 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000370369014 466851640 /nfs/dbraw/zinc/85/16/40/466851640.db2.gz ZDBCTHOPXFODRD-ROUUACIJSA-N 1 2 345.443 2.189 20 30 EEEDLO COC(=O)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000411614018 466856240 /nfs/dbraw/zinc/85/62/40/466856240.db2.gz OLRLUSHEMRFBEV-OAHLLOKOSA-N 1 2 335.791 2.081 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC34CCOCC4)CC2)cc1 ZINC000365824547 466952448 /nfs/dbraw/zinc/95/24/48/466952448.db2.gz HYRRCLUAXTWSCY-SFHVURJKSA-N 1 2 339.439 2.019 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377526603 467079805 /nfs/dbraw/zinc/07/98/05/467079805.db2.gz GBSZPXOFRGEJRP-CQSZACIVSA-N 1 2 329.872 2.366 20 30 EEEDLO N#C[C@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000424966210 467083861 /nfs/dbraw/zinc/08/38/61/467083861.db2.gz LUTIRLHWSXKKNX-WCQYABFASA-N 1 2 325.328 2.203 20 30 EEEDLO CCOCCCNC(=O)C1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425211901 467088771 /nfs/dbraw/zinc/08/87/71/467088771.db2.gz YRNWUHWXDYELCT-UHFFFAOYSA-N 1 2 330.432 2.021 20 30 EEEDLO C=C(C)COc1cc(C[N@H+]2CCOC[C@H]2CC(=O)OC)ccc1OC ZINC000377834132 467149257 /nfs/dbraw/zinc/14/92/57/467149257.db2.gz JHHMPOIUUCVXLX-MRXNPFEDSA-N 1 2 349.427 2.414 20 30 EEEDLO C=C(C)COc1cc(C[N@@H+]2CCOC[C@H]2CC(=O)OC)ccc1OC ZINC000377834132 467149258 /nfs/dbraw/zinc/14/92/58/467149258.db2.gz JHHMPOIUUCVXLX-MRXNPFEDSA-N 1 2 349.427 2.414 20 30 EEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000413823738 467319138 /nfs/dbraw/zinc/31/91/38/467319138.db2.gz ASBPXJICBZYQCN-GBESFXJTSA-N 1 2 343.471 2.336 20 30 EEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000413823738 467319140 /nfs/dbraw/zinc/31/91/40/467319140.db2.gz ASBPXJICBZYQCN-GBESFXJTSA-N 1 2 343.471 2.336 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442825572 467578136 /nfs/dbraw/zinc/57/81/36/467578136.db2.gz IPENBDMVOJYJJH-LJQANCHMSA-N 1 2 347.459 2.210 20 30 EEEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000448588997 467594902 /nfs/dbraw/zinc/59/49/02/467594902.db2.gz YGOLJBZIAMMVSB-KDOFPFPSSA-N 1 2 347.846 2.413 20 30 EEEDLO CN(CC(C)(C)C#N)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000457537284 467645360 /nfs/dbraw/zinc/64/53/60/467645360.db2.gz VTFHPPCZBICPRS-KRWDZBQOSA-N 1 2 344.459 2.251 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528733663 467742772 /nfs/dbraw/zinc/74/27/72/467742772.db2.gz NKFUHYWHFWKEBW-AWEZNQCLSA-N 1 2 326.444 2.301 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528733663 467742774 /nfs/dbraw/zinc/74/27/74/467742774.db2.gz NKFUHYWHFWKEBW-AWEZNQCLSA-N 1 2 326.444 2.301 20 30 EEEDLO C[N@H+](Cc1ncc(C#N)cn1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000497159842 467863607 /nfs/dbraw/zinc/86/36/07/467863607.db2.gz HKLBTWNXIGSLIJ-AWEZNQCLSA-N 1 2 331.420 2.083 20 30 EEEDLO C[N@@H+](Cc1ncc(C#N)cn1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000497159842 467863609 /nfs/dbraw/zinc/86/36/09/467863609.db2.gz HKLBTWNXIGSLIJ-AWEZNQCLSA-N 1 2 331.420 2.083 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488756944 468102172 /nfs/dbraw/zinc/10/21/72/468102172.db2.gz XRZBRGIDOYQVNX-KRWDZBQOSA-N 1 2 342.443 2.145 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488756944 468102175 /nfs/dbraw/zinc/10/21/75/468102175.db2.gz XRZBRGIDOYQVNX-KRWDZBQOSA-N 1 2 342.443 2.145 20 30 EEEDLO COCC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCO[C@@H]1C ZINC000489502219 468146211 /nfs/dbraw/zinc/14/62/11/468146211.db2.gz XWRRNUIOCHCGIN-CJNGLKHVSA-N 1 2 342.399 2.234 20 30 EEEDLO COCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCO[C@@H]1C ZINC000489502219 468146214 /nfs/dbraw/zinc/14/62/14/468146214.db2.gz XWRRNUIOCHCGIN-CJNGLKHVSA-N 1 2 342.399 2.234 20 30 EEEDLO COC(=O)CCC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000533022975 468162693 /nfs/dbraw/zinc/16/26/93/468162693.db2.gz TYPBENWCUSYKAL-UHFFFAOYSA-N 1 2 335.429 2.223 20 30 EEEDLO Cc1cc(C#N)cnc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000549074210 468169418 /nfs/dbraw/zinc/16/94/18/468169418.db2.gz ROLVVYBVSCHOPN-UHFFFAOYSA-N 1 2 336.395 2.346 20 30 EEEDLO C#CCN(CC)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000490574973 468220251 /nfs/dbraw/zinc/22/02/51/468220251.db2.gz IKATVJQNHZJPOW-SFHVURJKSA-N 1 2 329.444 2.033 20 30 EEEDLO C#C[C@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C(C)C ZINC000490628651 468227400 /nfs/dbraw/zinc/22/74/00/468227400.db2.gz IMQZJJQQKPFBEP-KRWDZBQOSA-N 1 2 338.411 2.300 20 30 EEEDLO COC(=O)[C@H]([NH+]1CCC(C#N)(c2ccccn2)CC1)C1(OC)CCC1 ZINC000569566786 468510397 /nfs/dbraw/zinc/51/03/97/468510397.db2.gz HPFJRDIALPJNCO-INIZCTEOSA-N 1 2 343.427 2.049 20 30 EEEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cnn1-c1ccc(Cl)cc1 ZINC000569608568 468517758 /nfs/dbraw/zinc/51/77/58/468517758.db2.gz DBKPHTZDOILCKD-KRWDZBQOSA-N 1 2 345.834 2.408 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)C1CC1 ZINC000569717401 468534086 /nfs/dbraw/zinc/53/40/86/468534086.db2.gz UAEDWQNTUHJFLQ-HNNXBMFYSA-N 1 2 348.403 2.002 20 30 EEEDLO Cc1cccc([C@@H]2C(=O)NCC[N@H+]2CCOc2ccc(C#N)cc2)c1 ZINC000582431291 468540370 /nfs/dbraw/zinc/54/03/70/468540370.db2.gz ZBHQHHSNXAKFQK-LJQANCHMSA-N 1 2 335.407 2.419 20 30 EEEDLO Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2CCOc2ccc(C#N)cc2)c1 ZINC000582431291 468540374 /nfs/dbraw/zinc/54/03/74/468540374.db2.gz ZBHQHHSNXAKFQK-LJQANCHMSA-N 1 2 335.407 2.419 20 30 EEEDLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@](O)(CC#N)C1 ZINC000591975083 468588230 /nfs/dbraw/zinc/58/82/30/468588230.db2.gz GCDCVVFATQAYEE-GOSISDBHSA-N 1 2 325.368 2.266 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000592151642 468639501 /nfs/dbraw/zinc/63/95/01/468639501.db2.gz PABWPSSULDELCC-IBGZPJMESA-N 1 2 340.402 2.351 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000592151642 468639504 /nfs/dbraw/zinc/63/95/04/468639504.db2.gz PABWPSSULDELCC-IBGZPJMESA-N 1 2 340.402 2.351 20 30 EEEDLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149831 468639862 /nfs/dbraw/zinc/63/98/62/468639862.db2.gz XLACIVDVULWLJD-QFBILLFUSA-N 1 2 345.443 2.003 20 30 EEEDLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149831 468639868 /nfs/dbraw/zinc/63/98/68/468639868.db2.gz XLACIVDVULWLJD-QFBILLFUSA-N 1 2 345.443 2.003 20 30 EEEDLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CC#N)C1)c1cc2ccccc2o1 ZINC000592150520 468640366 /nfs/dbraw/zinc/64/03/66/468640366.db2.gz FVCNFQIDPXJUMM-NJSLBKSFSA-N 1 2 341.411 2.349 20 30 EEEDLO C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CC#N)C1)c1cc2ccccc2o1 ZINC000592150520 468640367 /nfs/dbraw/zinc/64/03/67/468640367.db2.gz FVCNFQIDPXJUMM-NJSLBKSFSA-N 1 2 341.411 2.349 20 30 EEEDLO CCOc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H](CC#N)C3)C2=O)cc1 ZINC000594659551 468645709 /nfs/dbraw/zinc/64/57/09/468645709.db2.gz DWONBCRULHTFGP-PBHICJAKSA-N 1 2 341.411 2.343 20 30 EEEDLO CCOc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@H](CC#N)C3)C2=O)cc1 ZINC000594659551 468645715 /nfs/dbraw/zinc/64/57/15/468645715.db2.gz DWONBCRULHTFGP-PBHICJAKSA-N 1 2 341.411 2.343 20 30 EEEDLO N#Cc1cccc(S(=O)(=O)NCc2ccc[nH+]c2N2CCCC2)c1 ZINC000594804425 468692748 /nfs/dbraw/zinc/69/27/48/468692748.db2.gz ZGBXXDGKCVUIGV-UHFFFAOYSA-N 1 2 342.424 2.032 20 30 EEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000595401541 468839929 /nfs/dbraw/zinc/83/99/29/468839929.db2.gz JYQHATQLCHHXMW-AWEZNQCLSA-N 1 2 341.415 2.185 20 30 EEEDLO Cc1ccc(Br)cc1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000572367652 468924051 /nfs/dbraw/zinc/92/40/51/468924051.db2.gz DKFHGKJUKFLAEN-HNNXBMFYSA-N 1 2 338.249 2.260 20 30 EEEDLO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595631218 468930877 /nfs/dbraw/zinc/93/08/77/468930877.db2.gz BYCFBHQBZJJTRS-KBPBESRZSA-N 1 2 334.489 2.435 20 30 EEEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000572494254 468941297 /nfs/dbraw/zinc/94/12/97/468941297.db2.gz OYLFQSKTKPQIJT-CYBMUJFWSA-N 1 2 343.349 2.482 20 30 EEEDLO CN(C(=O)CN1CC[NH+](CC2(CC#N)CC2)CC1)C1CCCCC1 ZINC000602772129 469063738 /nfs/dbraw/zinc/06/37/38/469063738.db2.gz JQQGBZZDEHWRHJ-UHFFFAOYSA-N 1 2 332.492 2.089 20 30 EEEDLO CC(C)[C@H](NC(=O)C[NH2+][C@@H](C)CC#N)c1ccc2c(c1)OCCO2 ZINC000602861063 469126609 /nfs/dbraw/zinc/12/66/09/469126609.db2.gz FFDFLAKJBMNRKY-UGSOOPFHSA-N 1 2 331.416 2.163 20 30 EEEDLO CC[C@H](NC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccc(Cl)cc1 ZINC000611173916 469181095 /nfs/dbraw/zinc/18/10/95/469181095.db2.gz RETQRSUBPAEBBA-KRWDZBQOSA-N 1 2 348.878 2.439 20 30 EEEDLO CO[C@@H]1CC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000596657543 469324398 /nfs/dbraw/zinc/32/43/98/469324398.db2.gz RUQXJZAVUVOFFE-ZWKOTPCHSA-N 1 2 327.428 2.018 20 30 EEEDLO COc1cc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c(F)cc1C#N ZINC000599816062 469381130 /nfs/dbraw/zinc/38/11/30/469381130.db2.gz JWWCFOPBXWNCDO-NSHDSACASA-N 1 2 343.362 2.461 20 30 EEEDLO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612161181 469408641 /nfs/dbraw/zinc/40/86/41/469408641.db2.gz ONMXSTLILBMXAS-YLJYHZDGSA-N 1 2 340.471 2.349 20 30 EEEDLO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612161181 469408646 /nfs/dbraw/zinc/40/86/46/469408646.db2.gz ONMXSTLILBMXAS-YLJYHZDGSA-N 1 2 340.471 2.349 20 30 EEEDLO C[C@@](O)(C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C(F)(F)F ZINC000619621220 469652667 /nfs/dbraw/zinc/65/26/67/469652667.db2.gz PIPRFVNDMCQSJT-LSDHHAIUSA-N 1 2 345.340 2.321 20 30 EEEDLO C[N@H+](Cc1cccs1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000609121748 469892763 /nfs/dbraw/zinc/89/27/63/469892763.db2.gz RYDQWOFDMNDOQB-HNNXBMFYSA-N 1 2 325.393 2.384 20 30 EEEDLO C[N@@H+](Cc1cccs1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000609121748 469892765 /nfs/dbraw/zinc/89/27/65/469892765.db2.gz RYDQWOFDMNDOQB-HNNXBMFYSA-N 1 2 325.393 2.384 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000609486209 469932987 /nfs/dbraw/zinc/93/29/87/469932987.db2.gz FWQIDNFHKPXRDI-FUHWJXTLSA-N 1 2 334.508 2.237 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N(C)[C@H]2CCCC[C@H]2C)CC1 ZINC000609537964 469937239 /nfs/dbraw/zinc/93/72/39/469937239.db2.gz GNLQKZVCNBITDK-SQNIBIBYSA-N 1 2 334.508 2.189 20 30 EEEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000610392144 470009951 /nfs/dbraw/zinc/00/99/51/470009951.db2.gz MWTRNVSYBCWWHS-UHFFFAOYSA-N 1 2 334.376 2.094 20 30 EEEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000610392144 470009954 /nfs/dbraw/zinc/00/99/54/470009954.db2.gz MWTRNVSYBCWWHS-UHFFFAOYSA-N 1 2 334.376 2.094 20 30 EEEDLO C=CCn1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)nn1 ZINC000648746101 470332824 /nfs/dbraw/zinc/33/28/24/470332824.db2.gz JEKPGGZECNAEQY-LBPRGKRZSA-N 1 2 346.460 2.405 20 30 EEEDLO C=CCn1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)nn1 ZINC000648746101 470332826 /nfs/dbraw/zinc/33/28/26/470332826.db2.gz JEKPGGZECNAEQY-LBPRGKRZSA-N 1 2 346.460 2.405 20 30 EEEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccccc2C(C)C)nn1 ZINC000640763381 471021206 /nfs/dbraw/zinc/02/12/06/471021206.db2.gz QAZCLFZCZRQEFW-UHFFFAOYSA-N 1 2 325.416 2.153 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)nn1 ZINC000657441662 471137621 /nfs/dbraw/zinc/13/76/21/471137621.db2.gz FMNRWTTUWZDIFO-KRWDZBQOSA-N 1 2 331.464 2.268 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)C(C)(C)C(=C)C)CC[N@H+]1C ZINC000652497888 471300911 /nfs/dbraw/zinc/30/09/11/471300911.db2.gz PKLABNUYWXDAQM-INIZCTEOSA-N 1 2 349.519 2.450 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)C(C)(C)C(=C)C)CC[N@@H+]1C ZINC000652497888 471300916 /nfs/dbraw/zinc/30/09/16/471300916.db2.gz PKLABNUYWXDAQM-INIZCTEOSA-N 1 2 349.519 2.450 20 30 EEEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000658523103 471316858 /nfs/dbraw/zinc/31/68/58/471316858.db2.gz FNEBNCVZZGWKBO-LSDHHAIUSA-N 1 2 330.432 2.278 20 30 EEEDLO CCCN(CCC)C(=O)C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595634062 485607003 /nfs/dbraw/zinc/60/70/03/485607003.db2.gz VWHJOAHYTUXXIJ-UHFFFAOYSA-N 1 2 334.489 2.390 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)C1=O ZINC000685003253 486061944 /nfs/dbraw/zinc/06/19/44/486061944.db2.gz RVEORBRWFNHLTO-HUUCEWRRSA-N 1 2 342.361 2.199 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)C1=O ZINC000685003253 486061953 /nfs/dbraw/zinc/06/19/53/486061953.db2.gz RVEORBRWFNHLTO-HUUCEWRRSA-N 1 2 342.361 2.199 20 30 EEEDLO N#CCc1ccc(NC(=O)NCC2([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000582829036 490664774 /nfs/dbraw/zinc/66/47/74/490664774.db2.gz QPHPEJVWSWZAQL-UHFFFAOYSA-N 1 2 348.834 2.392 20 30 EEEDLO C[C@H](C(=O)N[C@]1(C#N)CC1(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000292630605 534295946 /nfs/dbraw/zinc/29/59/46/534295946.db2.gz YTTSSXAXMRCYNC-KUHUBIRLSA-N 1 2 344.434 2.145 20 30 EEEDLO Cc1nc(CCNC(=O)N2CC[NH+](Cc3ccco3)CC2)cs1 ZINC000044967743 526802604 /nfs/dbraw/zinc/80/26/04/526802604.db2.gz RWLDPKSPCILIGI-UHFFFAOYSA-N 1 2 334.445 2.319 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000105819583 527372706 /nfs/dbraw/zinc/37/27/06/527372706.db2.gz HEVZCUGTCCDQDR-AWEZNQCLSA-N 1 2 337.489 2.467 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000105819583 527372710 /nfs/dbraw/zinc/37/27/10/527372710.db2.gz HEVZCUGTCCDQDR-AWEZNQCLSA-N 1 2 337.489 2.467 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(Cc2csc(CC)n2)CC1 ZINC000154444023 527610163 /nfs/dbraw/zinc/61/01/63/527610163.db2.gz BRGRVJKYQFDAOH-UHFFFAOYSA-N 1 2 348.516 2.024 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](c1nc(C)no1)C1CCOCC1 ZINC000370174665 527629801 /nfs/dbraw/zinc/62/98/01/527629801.db2.gz QLRLAISEKYJWMQ-CJNGLKHVSA-N 1 2 348.447 2.024 20 30 EEEDLO CCCCC[N@H+](CC(N)=O)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000183043961 528167870 /nfs/dbraw/zinc/16/78/70/528167870.db2.gz IDHUNGFGAPKNFN-UHFFFAOYSA-N 1 2 327.388 2.086 20 30 EEEDLO CCCCC[N@@H+](CC(N)=O)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000183043961 528167876 /nfs/dbraw/zinc/16/78/76/528167876.db2.gz IDHUNGFGAPKNFN-UHFFFAOYSA-N 1 2 327.388 2.086 20 30 EEEDLO CC[C@H]1C[N@H+](CCNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CCO1 ZINC000456030424 536144631 /nfs/dbraw/zinc/14/46/31/536144631.db2.gz QUUNUJHDUXXRKA-SFHVURJKSA-N 1 2 343.471 2.354 20 30 EEEDLO CC[C@H]1C[N@@H+](CCNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CCO1 ZINC000456030424 536144637 /nfs/dbraw/zinc/14/46/37/536144637.db2.gz QUUNUJHDUXXRKA-SFHVURJKSA-N 1 2 343.471 2.354 20 30 EEEDLO C[NH+](C)c1ccc(N2CCC(=NNC(=S)NC3CC3)CC2)cc1 ZINC000741455980 577095368 /nfs/dbraw/zinc/09/53/68/577095368.db2.gz NYSMFXIYLLNNQG-UHFFFAOYSA-N 1 2 331.489 2.335 20 30 EEEDLO C[C@@H](OC(=O)c1ccc2[nH+]ccn2c1)C(=O)Nc1ccccc1C#N ZINC000731907655 577132227 /nfs/dbraw/zinc/13/22/27/577132227.db2.gz KCWJTSMIAZRICI-GFCCVEGCSA-N 1 2 334.335 2.390 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(Cl)cc(F)c1O ZINC000775634759 577441364 /nfs/dbraw/zinc/44/13/64/577441364.db2.gz WNHFENPRQGAWKV-UHFFFAOYSA-N 1 2 341.814 2.233 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000775856476 577447310 /nfs/dbraw/zinc/44/73/10/577447310.db2.gz VVGCWBMAONTBCZ-IAQYHMDHSA-N 1 2 347.381 2.273 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)n(-c2cccc(F)c2)n1 ZINC000776499358 577460983 /nfs/dbraw/zinc/46/09/83/577460983.db2.gz UTFJKTVHPMGBDN-INIZCTEOSA-N 1 2 326.375 2.356 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)n(-c2cccc(F)c2)n1 ZINC000776499358 577460984 /nfs/dbraw/zinc/46/09/84/577460984.db2.gz UTFJKTVHPMGBDN-INIZCTEOSA-N 1 2 326.375 2.356 20 30 EEEDLO CC(C)(C)OC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766631315 577522443 /nfs/dbraw/zinc/52/24/43/577522443.db2.gz FFIBHNIVYBYZHM-UHFFFAOYSA-N 1 2 329.444 2.446 20 30 EEEDLO S=C1N=NC([C@H]2CCCCO2)N1N=Cc1cccc2[nH+]ccn21 ZINC000771101191 577609804 /nfs/dbraw/zinc/60/98/04/577609804.db2.gz QYVOHVITSXCHGQ-GFCCVEGCSA-N 1 2 328.401 2.338 20 30 EEEDLO Cc1ccc2[nH+]c(CNC(=O)Cc3cccc(OCC#N)c3)cn2c1 ZINC000760391326 577662078 /nfs/dbraw/zinc/66/20/78/577662078.db2.gz WRRLZJKUZQMXKR-UHFFFAOYSA-N 1 2 334.379 2.404 20 30 EEEDLO c1cn(-c2ccccc2)c(CN=Nc2ccc(-n3cc[nH+]c3)nn2)n1 ZINC000761837516 577689904 /nfs/dbraw/zinc/68/99/04/577689904.db2.gz FYVGKWAHLNQPOU-UHFFFAOYSA-N 1 2 330.355 2.294 20 30 EEEDLO N#Cc1ccc([C@@H](O)CN2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000763231562 577717389 /nfs/dbraw/zinc/71/73/89/577717389.db2.gz COVCNWRYGNTUKD-SFHVURJKSA-N 1 2 327.453 2.471 20 30 EEEDLO COc1nccnc1N=NC(C)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000763413111 577720847 /nfs/dbraw/zinc/72/08/47/577720847.db2.gz XQPNMHNETWQWMW-MRXNPFEDSA-N 1 2 341.415 2.347 20 30 EEEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+](C)CCCC(=O)NC)c1=S ZINC000753804985 577794053 /nfs/dbraw/zinc/79/40/53/577794053.db2.gz HIGMDNPAYFWEER-UHFFFAOYSA-N 1 2 349.460 2.276 20 30 EEEDLO C=CCn1c(-c2ccco2)nn(C[N@H+](C)CCCC(=O)NC)c1=S ZINC000753804985 577794054 /nfs/dbraw/zinc/79/40/54/577794054.db2.gz HIGMDNPAYFWEER-UHFFFAOYSA-N 1 2 349.460 2.276 20 30 EEEDLO COC[C@@H](C)NC(=S)NN=Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000755526302 577826294 /nfs/dbraw/zinc/82/62/94/577826294.db2.gz MNXOFDPBDSKMEU-GFCCVEGCSA-N 1 2 331.445 2.014 20 30 EEEDLO Clc1cncc(N=NCc2c(-n3cc[nH+]c3)nc3ccccn32)n1 ZINC000755638851 577828380 /nfs/dbraw/zinc/82/83/80/577828380.db2.gz AOPRXYPZYPCONU-UHFFFAOYSA-N 1 2 338.762 2.409 20 30 EEEDLO COC(=O)c1cccc(CO[NH+]=C(N)Cc2csc(C)n2)c1C#N ZINC000755815089 577832287 /nfs/dbraw/zinc/83/22/87/577832287.db2.gz FBMOZVAWGSHINK-UHFFFAOYSA-N 1 2 344.396 2.351 20 30 EEEDLO CCc1ccc(CNC(=O)CO[NH+]=C(N)c2ccc(F)cc2)s1 ZINC000742353091 577871490 /nfs/dbraw/zinc/87/14/90/577871490.db2.gz OTKJNRRXJJVNKU-UHFFFAOYSA-N 1 2 335.404 2.403 20 30 EEEDLO CC[N@H+](C)[C@H](C(=O)OCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000745097720 577908949 /nfs/dbraw/zinc/90/89/49/577908949.db2.gz JNPFMWCXLVCLBA-PKOBYXMFSA-N 1 2 343.427 2.031 20 30 EEEDLO CC[N@@H+](C)[C@H](C(=O)OCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000745097720 577908950 /nfs/dbraw/zinc/90/89/50/577908950.db2.gz JNPFMWCXLVCLBA-PKOBYXMFSA-N 1 2 343.427 2.031 20 30 EEEDLO Cc1cccn2cc(CC(=O)OCC(=O)c3ccc(C#N)cc3)[nH+]c12 ZINC000748277562 577958704 /nfs/dbraw/zinc/95/87/04/577958704.db2.gz LFQFROBMXJZZFG-UHFFFAOYSA-N 1 2 333.347 2.483 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000749326185 577974653 /nfs/dbraw/zinc/97/46/53/577974653.db2.gz ZHSMJBUPDXPTMZ-JTQLQIEISA-N 1 2 327.182 2.385 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000749326185 577974654 /nfs/dbraw/zinc/97/46/54/577974654.db2.gz ZHSMJBUPDXPTMZ-JTQLQIEISA-N 1 2 327.182 2.385 20 30 EEEDLO CCC[N@@H+](CC(=O)/C=C1\N(C)c2ccccc2C1(C)C)CC(=O)NC ZINC000735871650 578170977 /nfs/dbraw/zinc/17/09/77/578170977.db2.gz SDDUQDDKVMUXKV-PDGQHHTCSA-N 1 2 343.471 2.325 20 30 EEEDLO CCC[N@H+](CC(=O)/C=C1\N(C)c2ccccc2C1(C)C)CC(=O)NC ZINC000735871650 578170978 /nfs/dbraw/zinc/17/09/78/578170978.db2.gz SDDUQDDKVMUXKV-PDGQHHTCSA-N 1 2 343.471 2.325 20 30 EEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@@H](CC)CC1=O ZINC000819745826 606704934 /nfs/dbraw/zinc/70/49/34/606704934.db2.gz SFNFSJLGFJOHBK-AWEZNQCLSA-N 1 2 340.431 2.071 20 30 EEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@@H](CC)CC1=O ZINC000819745826 606704936 /nfs/dbraw/zinc/70/49/36/606704936.db2.gz SFNFSJLGFJOHBK-AWEZNQCLSA-N 1 2 340.431 2.071 20 30 EEEDLO Cc1ncoc1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969456027 675054153 /nfs/dbraw/zinc/05/41/53/675054153.db2.gz GTSXAYAATQFMGS-NSHDSACASA-N 1 2 342.374 2.244 20 30 EEEDLO Cc1nc(C[NH+]2CC([C@@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)c(C)s1 ZINC000969515229 675082033 /nfs/dbraw/zinc/08/20/33/675082033.db2.gz YNJYYWQCACFWQU-SNVBAGLBSA-N 1 2 343.456 2.210 20 30 EEEDLO Cc1conc1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000970703185 676090446 /nfs/dbraw/zinc/09/04/46/676090446.db2.gz PYMWBWMULSGCDR-LBPRGKRZSA-N 1 2 342.374 2.244 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ncoc2-c2ccon2)C1 ZINC000970748435 676120889 /nfs/dbraw/zinc/12/08/89/676120889.db2.gz MCKWRSYGPHRPRX-SNVBAGLBSA-N 1 2 336.779 2.132 20 30 EEEDLO C[C@H](NC(=O)c1ccns1)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000969781197 675202428 /nfs/dbraw/zinc/20/24/28/675202428.db2.gz CMHJMYZOKLPOFA-ZDUSSCGKSA-N 1 2 343.427 2.384 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cn3cc(C)ccc3n2)C1 ZINC000969960431 675342427 /nfs/dbraw/zinc/34/24/27/675342427.db2.gz ZDDOYXCGJVOJMC-CYBMUJFWSA-N 1 2 332.835 2.445 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ncn3ccc(C)cc23)C1 ZINC000970004690 675377329 /nfs/dbraw/zinc/37/73/29/675377329.db2.gz KYKNQHNYVSALRV-CYBMUJFWSA-N 1 2 332.835 2.445 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](OC)C2CCC2)C1 ZINC000972027879 678008217 /nfs/dbraw/zinc/00/82/17/678008217.db2.gz WUXWFGRLASNCRA-ZIAGYGMSSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](OC)C2CCC2)C1 ZINC000972027879 678008221 /nfs/dbraw/zinc/00/82/21/678008221.db2.gz WUXWFGRLASNCRA-ZIAGYGMSSA-N 1 2 345.281 2.243 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001067500235 676295612 /nfs/dbraw/zinc/29/56/12/676295612.db2.gz OFVWTODREXKXFC-UHFFFAOYSA-N 1 2 334.464 2.170 20 30 EEEDLO CCc1nc(C[N@H+](C)[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC000971363949 676503425 /nfs/dbraw/zinc/50/34/25/676503425.db2.gz MDKSBRCGIMOERN-AWEZNQCLSA-N 1 2 343.456 2.252 20 30 EEEDLO CCc1nc(C[N@@H+](C)[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC000971363949 676503427 /nfs/dbraw/zinc/50/34/27/676503427.db2.gz MDKSBRCGIMOERN-AWEZNQCLSA-N 1 2 343.456 2.252 20 30 EEEDLO CCCCc1noc([C@H](C)[N@H+](C)[C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC000971504911 676603530 /nfs/dbraw/zinc/60/35/30/676603530.db2.gz PDFUCOZTVQODBP-HOCLYGCPSA-N 1 2 344.459 2.419 20 30 EEEDLO CCCCc1noc([C@H](C)[N@@H+](C)[C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC000971504911 676603531 /nfs/dbraw/zinc/60/35/31/676603531.db2.gz PDFUCOZTVQODBP-HOCLYGCPSA-N 1 2 344.459 2.419 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(CC)o2)C1 ZINC000971555592 676623471 /nfs/dbraw/zinc/62/34/71/676623471.db2.gz HBGHLNSENIRKQP-OIISXLGYSA-N 1 2 347.459 2.251 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(CC)o2)C1 ZINC000971555592 676623472 /nfs/dbraw/zinc/62/34/72/676623472.db2.gz HBGHLNSENIRKQP-OIISXLGYSA-N 1 2 347.459 2.251 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2cc3n(n2)CCCC3)C1 ZINC000972080237 678217718 /nfs/dbraw/zinc/21/77/18/678217718.db2.gz TYPXSWJTICBXNI-KRWDZBQOSA-N 1 2 330.476 2.464 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc3n(n2)CCCC3)C1 ZINC000972080237 678217721 /nfs/dbraw/zinc/21/77/21/678217721.db2.gz TYPXSWJTICBXNI-KRWDZBQOSA-N 1 2 330.476 2.464 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2conc2C)C1 ZINC000972209864 678398615 /nfs/dbraw/zinc/39/86/15/678398615.db2.gz MQAFGNQEXHVDBN-NSHDSACASA-N 1 2 328.210 2.038 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2conc2C)C1 ZINC000972209864 678398619 /nfs/dbraw/zinc/39/86/19/678398619.db2.gz MQAFGNQEXHVDBN-NSHDSACASA-N 1 2 328.210 2.038 20 30 EEEDLO C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000972389293 678668120 /nfs/dbraw/zinc/66/81/20/678668120.db2.gz KFTUHBNMWKEIFF-GXTWGEPZSA-N 1 2 338.345 2.156 20 30 EEEDLO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000972389293 678668128 /nfs/dbraw/zinc/66/81/28/678668128.db2.gz KFTUHBNMWKEIFF-GXTWGEPZSA-N 1 2 338.345 2.156 20 30 EEEDLO C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC000972389293 678668132 /nfs/dbraw/zinc/66/81/32/678668132.db2.gz KFTUHBNMWKEIFF-GXTWGEPZSA-N 1 2 338.345 2.156 20 30 EEEDLO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC000972389293 678668135 /nfs/dbraw/zinc/66/81/35/678668135.db2.gz KFTUHBNMWKEIFF-GXTWGEPZSA-N 1 2 338.345 2.156 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4c(o3)CCCC4)C2)C1 ZINC000972410334 678700800 /nfs/dbraw/zinc/70/08/00/678700800.db2.gz UVFSPGCIXRQQEG-LJQANCHMSA-N 1 2 330.428 2.261 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4c(o3)CCCC4)C2)C1 ZINC000972410334 678700804 /nfs/dbraw/zinc/70/08/04/678700804.db2.gz UVFSPGCIXRQQEG-LJQANCHMSA-N 1 2 330.428 2.261 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)sc3C)C2)C1 ZINC000972454399 678774341 /nfs/dbraw/zinc/77/43/41/678774341.db2.gz WDFALDRNAOQOCE-GOSISDBHSA-N 1 2 332.469 2.305 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)sc3C)C2)C1 ZINC000972454399 678774345 /nfs/dbraw/zinc/77/43/45/678774345.db2.gz WDFALDRNAOQOCE-GOSISDBHSA-N 1 2 332.469 2.305 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4c(cn3)CCCC4)C2)C1 ZINC000972457848 678787539 /nfs/dbraw/zinc/78/75/39/678787539.db2.gz GMUZIURDOPXHMG-HXUWFJFHSA-N 1 2 341.455 2.063 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4c(cn3)CCCC4)C2)C1 ZINC000972457848 678787542 /nfs/dbraw/zinc/78/75/42/678787542.db2.gz GMUZIURDOPXHMG-HXUWFJFHSA-N 1 2 341.455 2.063 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccc(C)cc3)C2)C1 ZINC000972459656 678790597 /nfs/dbraw/zinc/79/05/97/678790597.db2.gz YGXGTLYPGFKSOE-FQEVSTJZSA-N 1 2 328.456 2.417 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccc(C)cc3)C2)C1 ZINC000972459656 678790601 /nfs/dbraw/zinc/79/06/01/678790601.db2.gz YGXGTLYPGFKSOE-FQEVSTJZSA-N 1 2 328.456 2.417 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3scnc3C(F)F)C2)C1 ZINC000972461535 678792768 /nfs/dbraw/zinc/79/27/68/678792768.db2.gz URCJPNBSSPQEIR-OAHLLOKOSA-N 1 2 343.399 2.184 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3scnc3C(F)F)C2)C1 ZINC000972461535 678792771 /nfs/dbraw/zinc/79/27/71/678792771.db2.gz URCJPNBSSPQEIR-OAHLLOKOSA-N 1 2 343.399 2.184 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3coc(C(F)F)c3)C2)C1 ZINC000972517451 679141366 /nfs/dbraw/zinc/14/13/66/679141366.db2.gz FUVHDUOPZYJYAK-QGZVFWFLSA-N 1 2 338.354 2.157 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3coc(C(F)F)c3)C2)C1 ZINC000972517451 679141367 /nfs/dbraw/zinc/14/13/67/679141367.db2.gz FUVHDUOPZYJYAK-QGZVFWFLSA-N 1 2 338.354 2.157 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCCC3(F)F)C2)C1 ZINC000972519750 679145621 /nfs/dbraw/zinc/14/56/21/679145621.db2.gz YQGMNAATUNFPOY-DOTOQJQBSA-N 1 2 340.414 2.139 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCCC3(F)F)C2)C1 ZINC000972519750 679145624 /nfs/dbraw/zinc/14/56/24/679145624.db2.gz YQGMNAATUNFPOY-DOTOQJQBSA-N 1 2 340.414 2.139 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(C(CC)CC)n3)C2)C1 ZINC000972582138 679351480 /nfs/dbraw/zinc/35/14/80/679351480.db2.gz HOIVCNXDHVGMJM-IBGZPJMESA-N 1 2 346.475 2.347 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(C(CC)CC)n3)C2)C1 ZINC000972582138 679351481 /nfs/dbraw/zinc/35/14/81/679351481.db2.gz HOIVCNXDHVGMJM-IBGZPJMESA-N 1 2 346.475 2.347 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)C2)C1 ZINC000972585071 679359394 /nfs/dbraw/zinc/35/93/94/679359394.db2.gz GUIVMRGLPFRPJL-RCLSDMTESA-N 1 2 338.451 2.062 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)C2)C1 ZINC000972585071 679359398 /nfs/dbraw/zinc/35/93/98/679359398.db2.gz GUIVMRGLPFRPJL-RCLSDMTESA-N 1 2 338.451 2.062 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+](Cc3nnc(C)[nH]3)C2)CC1 ZINC001023572688 679386627 /nfs/dbraw/zinc/38/66/27/679386627.db2.gz LFEFFJDYIDCBHZ-OAHLLOKOSA-N 1 2 331.464 2.188 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+](Cc3nnc(C)[nH]3)C2)CC1 ZINC001023572688 679386630 /nfs/dbraw/zinc/38/66/30/679386630.db2.gz LFEFFJDYIDCBHZ-OAHLLOKOSA-N 1 2 331.464 2.188 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(OCC)cc3)C2)C1 ZINC000972664509 679536405 /nfs/dbraw/zinc/53/64/05/679536405.db2.gz NMHKZFFRGDWAND-HXUWFJFHSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(OCC)cc3)C2)C1 ZINC000972664509 679536406 /nfs/dbraw/zinc/53/64/06/679536406.db2.gz NMHKZFFRGDWAND-HXUWFJFHSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)COc3cc(C)ccc3C)C2)C1 ZINC000972676235 679586633 /nfs/dbraw/zinc/58/66/33/679586633.db2.gz GHBGQJIXYWDPRR-HXUWFJFHSA-N 1 2 344.455 2.172 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)COc3cc(C)ccc3C)C2)C1 ZINC000972676235 679586636 /nfs/dbraw/zinc/58/66/36/679586636.db2.gz GHBGQJIXYWDPRR-HXUWFJFHSA-N 1 2 344.455 2.172 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccccc3C)C2)C1 ZINC000972684195 679598514 /nfs/dbraw/zinc/59/85/14/679598514.db2.gz IPMJEAJNFGSZGF-WIYYLYMNSA-N 1 2 340.467 2.425 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccccc3C)C2)C1 ZINC000972684195 679598517 /nfs/dbraw/zinc/59/85/17/679598517.db2.gz IPMJEAJNFGSZGF-WIYYLYMNSA-N 1 2 340.467 2.425 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)c(C)o1 ZINC001024399352 679889795 /nfs/dbraw/zinc/88/97/95/679889795.db2.gz IHHYLFVMNFBYEG-INIZCTEOSA-N 1 2 341.415 2.276 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)c(C)o1 ZINC001024399352 679889796 /nfs/dbraw/zinc/88/97/96/679889796.db2.gz IHHYLFVMNFBYEG-INIZCTEOSA-N 1 2 341.415 2.276 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc2[nH]c(=O)oc21 ZINC001028355547 681226158 /nfs/dbraw/zinc/22/61/58/681226158.db2.gz NZLQNGSCIJGVDC-NSHDSACASA-N 1 2 335.791 2.480 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc2[nH]c(=O)oc21 ZINC001028355547 681226166 /nfs/dbraw/zinc/22/61/66/681226166.db2.gz NZLQNGSCIJGVDC-NSHDSACASA-N 1 2 335.791 2.480 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC001028593727 681254412 /nfs/dbraw/zinc/25/44/12/681254412.db2.gz SIXZCFHQKLDPFL-UKRRQHHQSA-N 1 2 343.431 2.178 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC001028593727 681254417 /nfs/dbraw/zinc/25/44/17/681254417.db2.gz SIXZCFHQKLDPFL-UKRRQHHQSA-N 1 2 343.431 2.178 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H]2C[C@@]2(C)Br)n1 ZINC000894109033 681287364 /nfs/dbraw/zinc/28/73/64/681287364.db2.gz FFGNWHAPHCOKJM-DZGCQCFKSA-N 1 2 340.265 2.138 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H]2C[C@@]2(C)Br)n1 ZINC000894109033 681287366 /nfs/dbraw/zinc/28/73/66/681287366.db2.gz FFGNWHAPHCOKJM-DZGCQCFKSA-N 1 2 340.265 2.138 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1nocc1C ZINC001024661532 681324820 /nfs/dbraw/zinc/32/48/20/681324820.db2.gz HWYUUWJXZLJCMB-INMHGKMJSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1nocc1C ZINC001024661532 681324824 /nfs/dbraw/zinc/32/48/24/681324824.db2.gz HWYUUWJXZLJCMB-INMHGKMJSA-N 1 2 333.432 2.045 20 30 EEEDLO C[C@]1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)CCOC1 ZINC000982870907 681441654 /nfs/dbraw/zinc/44/16/54/681441654.db2.gz JBBBUKZFUJAZAY-KRWDZBQOSA-N 1 2 333.457 2.081 20 30 EEEDLO C[C@]1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)CCOC1 ZINC000982870907 681441655 /nfs/dbraw/zinc/44/16/55/681441655.db2.gz JBBBUKZFUJAZAY-KRWDZBQOSA-N 1 2 333.457 2.081 20 30 EEEDLO Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)c1C ZINC001028452288 681450334 /nfs/dbraw/zinc/45/03/34/681450334.db2.gz IIIRZEGVZXDJPD-SFHVURJKSA-N 1 2 336.439 2.130 20 30 EEEDLO Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1C ZINC001028452288 681450338 /nfs/dbraw/zinc/45/03/38/681450338.db2.gz IIIRZEGVZXDJPD-SFHVURJKSA-N 1 2 336.439 2.130 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3nc(CC)no3)C2)CC1 ZINC001028778958 682204749 /nfs/dbraw/zinc/20/47/49/682204749.db2.gz QEEKKQYHGNXFBM-CQSZACIVSA-N 1 2 332.448 2.317 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3nc(CC)no3)C2)CC1 ZINC001028778958 682204753 /nfs/dbraw/zinc/20/47/53/682204753.db2.gz QEEKKQYHGNXFBM-CQSZACIVSA-N 1 2 332.448 2.317 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](Cc3cnon3)C2)cc1 ZINC001025504027 682928582 /nfs/dbraw/zinc/92/85/82/682928582.db2.gz XRQVKOIZPZNZNY-RHSMWYFYSA-N 1 2 338.411 2.081 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](Cc3cnon3)C2)cc1 ZINC001025504027 682928583 /nfs/dbraw/zinc/92/85/83/682928583.db2.gz XRQVKOIZPZNZNY-RHSMWYFYSA-N 1 2 338.411 2.081 20 30 EEEDLO N#CCN[C@@H]1CCC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC000992769965 683418661 /nfs/dbraw/zinc/41/86/61/683418661.db2.gz OLXIZVBCDPYXEL-YTQUADARSA-N 1 2 349.438 2.226 20 30 EEEDLO C=CCCn1cc(C(=O)NC2C[NH+]([C@@H](C)c3ccccc3C)C2)nn1 ZINC001031079134 683678620 /nfs/dbraw/zinc/67/86/20/683678620.db2.gz DUDOMMWTBAZBNG-HNNXBMFYSA-N 1 2 339.443 2.338 20 30 EEEDLO C#CCC[NH+]1CC(NC(=O)[C@@H]2CCCO[C@H]2c2ccc(C)cc2)C1 ZINC001031084029 683705993 /nfs/dbraw/zinc/70/59/93/683705993.db2.gz RVANRJHGBLDBBR-MOPGFXCFSA-N 1 2 326.440 2.286 20 30 EEEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000329041572 683912030 /nfs/dbraw/zinc/91/20/30/683912030.db2.gz OMFOQWGZKHTKEX-CZUORRHYSA-N 1 2 342.443 2.121 20 30 EEEDLO C=CCCn1cc(C[NH2+]C[C@@H]2CC(c3ccc(OC)cc3)=NO2)nn1 ZINC000895499055 684626841 /nfs/dbraw/zinc/62/68/41/684626841.db2.gz VCENYWGCQQCXFS-KRWDZBQOSA-N 1 2 341.415 2.146 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N2CCCC2)CC1 ZINC001029452732 684694638 /nfs/dbraw/zinc/69/46/38/684694638.db2.gz AWHREKXWYWRCEP-HDICACEKSA-N 1 2 345.487 2.030 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N2CCCC2)CC1 ZINC001029452732 684694641 /nfs/dbraw/zinc/69/46/41/684694641.db2.gz AWHREKXWYWRCEP-HDICACEKSA-N 1 2 345.487 2.030 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)c1n[nH]cc1F ZINC000975018812 686055319 /nfs/dbraw/zinc/05/53/19/686055319.db2.gz RUMBERBKRJFQKV-ZDUSSCGKSA-N 1 2 347.419 2.122 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)c1n[nH]cc1F ZINC000975018812 686055327 /nfs/dbraw/zinc/05/53/27/686055327.db2.gz RUMBERBKRJFQKV-ZDUSSCGKSA-N 1 2 347.419 2.122 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc([C@H]3CCCO3)s2)C1 ZINC001008791986 686068436 /nfs/dbraw/zinc/06/84/36/686068436.db2.gz CSHBNIOHADFZHE-ZIAGYGMSSA-N 1 2 333.457 2.212 20 30 EEEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc([C@H]3CCCO3)s2)C1 ZINC001008791986 686068440 /nfs/dbraw/zinc/06/84/40/686068440.db2.gz CSHBNIOHADFZHE-ZIAGYGMSSA-N 1 2 333.457 2.212 20 30 EEEDLO C[N@@H+](Cc1nnc(C2CC2)s1)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029734140 686943713 /nfs/dbraw/zinc/94/37/13/686943713.db2.gz SEMKPWLTPWICPT-AWEZNQCLSA-N 1 2 344.484 2.109 20 30 EEEDLO C[N@H+](Cc1nnc(C2CC2)s1)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029734140 686943720 /nfs/dbraw/zinc/94/37/20/686943720.db2.gz SEMKPWLTPWICPT-AWEZNQCLSA-N 1 2 344.484 2.109 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3ncnn3CC)C2)CC1 ZINC001029826823 687224078 /nfs/dbraw/zinc/22/40/78/687224078.db2.gz WBXXHNPSIHAFKL-INIZCTEOSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H](C[N@H+](C)Cc3ncnn3CC)C2)CC1 ZINC001029826823 687224082 /nfs/dbraw/zinc/22/40/82/687224082.db2.gz WBXXHNPSIHAFKL-INIZCTEOSA-N 1 2 345.491 2.325 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)c(C)o1 ZINC001027372904 687749180 /nfs/dbraw/zinc/74/91/80/687749180.db2.gz ATAFPCYLXMZJKJ-INIZCTEOSA-N 1 2 341.415 2.228 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)c(C)o1 ZINC001027372904 687749183 /nfs/dbraw/zinc/74/91/83/687749183.db2.gz ATAFPCYLXMZJKJ-INIZCTEOSA-N 1 2 341.415 2.228 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2CNC(=O)c2ccncc2)c1 ZINC001027723098 694154041 /nfs/dbraw/zinc/15/40/41/694154041.db2.gz UNDKXWAOCBNCQL-QGZVFWFLSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2CNC(=O)c2ccncc2)c1 ZINC001027723098 694154043 /nfs/dbraw/zinc/15/40/43/694154043.db2.gz UNDKXWAOCBNCQL-QGZVFWFLSA-N 1 2 338.386 2.487 20 30 EEEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](CCc2ccccc2F)C1 ZINC001042628378 689098730 /nfs/dbraw/zinc/09/87/30/689098730.db2.gz HBISRSIKMDUTGT-UHFFFAOYSA-N 1 2 326.375 2.024 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000987098354 689352995 /nfs/dbraw/zinc/35/29/95/689352995.db2.gz RATCTTZGTDSOMX-AWEZNQCLSA-N 1 2 332.448 2.052 20 30 EEEDLO CC(C)CCc1noc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)n1 ZINC000988812947 691239683 /nfs/dbraw/zinc/23/96/83/691239683.db2.gz PIPAFRVJWBREGA-GDBMZVCRSA-N 1 2 344.459 2.151 20 30 EEEDLO Cc1nc[nH]c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000989808341 692354626 /nfs/dbraw/zinc/35/46/26/692354626.db2.gz CMVOPGQADMAENM-UHFFFAOYSA-N 1 2 341.390 2.077 20 30 EEEDLO Cc1nc[nH]c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000989808341 692354631 /nfs/dbraw/zinc/35/46/31/692354631.db2.gz CMVOPGQADMAENM-UHFFFAOYSA-N 1 2 341.390 2.077 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnn(C(F)F)c2)C(C)(C)C1 ZINC000977394413 692589679 /nfs/dbraw/zinc/58/96/79/692589679.db2.gz AHHBENYYUAGEFD-LLVKDONJSA-N 1 2 332.782 2.471 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnn(C(F)F)c2)C(C)(C)C1 ZINC000977394413 692589682 /nfs/dbraw/zinc/58/96/82/692589682.db2.gz AHHBENYYUAGEFD-LLVKDONJSA-N 1 2 332.782 2.471 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)co1 ZINC000990248934 692770988 /nfs/dbraw/zinc/77/09/88/692770988.db2.gz BEFXYSHGGCLIIJ-SJLPKXTDSA-N 1 2 339.399 2.110 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)co1 ZINC000990248934 692770990 /nfs/dbraw/zinc/77/09/90/692770990.db2.gz BEFXYSHGGCLIIJ-SJLPKXTDSA-N 1 2 339.399 2.110 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2C2CC2)C(C)(C)C1 ZINC000977661625 692897595 /nfs/dbraw/zinc/89/75/95/692897595.db2.gz VPFASAISQNRHMX-CQSZACIVSA-N 1 2 336.867 2.490 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2C2CC2)C(C)(C)C1 ZINC000977661625 692897596 /nfs/dbraw/zinc/89/75/96/692897596.db2.gz VPFASAISQNRHMX-CQSZACIVSA-N 1 2 336.867 2.490 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060041565 693006709 /nfs/dbraw/zinc/00/67/09/693006709.db2.gz AGWOLJHWUCGCIG-HOCLYGCPSA-N 1 2 346.475 2.218 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[C@H]([N@H+](C)Cc3coc(C)n3)C2)c1 ZINC001027568312 693091209 /nfs/dbraw/zinc/09/12/09/693091209.db2.gz FAGCCULXOOTPDM-SFHVURJKSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3coc(C)n3)C2)c1 ZINC001027568312 693091212 /nfs/dbraw/zinc/09/12/12/693091212.db2.gz FAGCCULXOOTPDM-SFHVURJKSA-N 1 2 338.411 2.096 20 30 EEEDLO C=CCN(C(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C(C)C ZINC000898546318 693366744 /nfs/dbraw/zinc/36/67/44/693366744.db2.gz HABMJFIJCCXVLD-QGZVFWFLSA-N 1 2 340.427 2.164 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CC)C1 ZINC001027641581 693728402 /nfs/dbraw/zinc/72/84/02/693728402.db2.gz LQCCICFGYWIYDA-CABCVRRESA-N 1 2 341.883 2.063 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2CC)C1 ZINC001027641581 693728405 /nfs/dbraw/zinc/72/84/05/693728405.db2.gz LQCCICFGYWIYDA-CABCVRRESA-N 1 2 341.883 2.063 20 30 EEEDLO COc1ccc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)o1 ZINC001032071026 1192140292 /nfs/dbraw/zinc/14/02/92/1192140292.db2.gz ZAVMOYJRYZOKDS-UHFFFAOYSA-N 1 2 342.370 2.141 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cc(Cl)no3)C2)cc1F ZINC001032144278 1192773854 /nfs/dbraw/zinc/77/38/54/1192773854.db2.gz QSXNNPOPFPESAO-UHFFFAOYSA-N 1 2 348.765 2.201 20 30 EEEDLO Cc1nc(C)c(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)s1 ZINC001032175156 1192815446 /nfs/dbraw/zinc/81/54/46/1192815446.db2.gz XZQHTQWRXSNFKH-UHFFFAOYSA-N 1 2 339.464 2.473 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2ccon2)C[C@@H]1C ZINC000944315871 1192998670 /nfs/dbraw/zinc/99/86/70/1192998670.db2.gz CLPJHENAZAUCAD-KXBFYZLASA-N 1 2 337.423 2.225 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2ccon2)C[C@@H]1C ZINC000944315871 1192998673 /nfs/dbraw/zinc/99/86/73/1192998673.db2.gz CLPJHENAZAUCAD-KXBFYZLASA-N 1 2 337.423 2.225 20 30 EEEDLO Cn1ncc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c1C1CC1 ZINC001032226186 1193292529 /nfs/dbraw/zinc/29/25/29/1193292529.db2.gz XCCDVJGKMADQBK-UHFFFAOYSA-N 1 2 348.450 2.011 20 30 EEEDLO C[C@@H]1CCCC[C@@H]1C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001270565360 1185175478 /nfs/dbraw/zinc/17/54/78/1185175478.db2.gz QIYTYTMUKCTORV-QAPCUYQASA-N 1 2 340.471 2.367 20 30 EEEDLO C=C1CC(C(=O)N2CC[C@H]3C[C@]32C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001271455194 1186248476 /nfs/dbraw/zinc/24/84/76/1186248476.db2.gz IIMGHXNSLZSALB-IFXJQAMLSA-N 1 2 336.395 2.230 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cccn2C)[C@H]1C ZINC001088472557 1186978391 /nfs/dbraw/zinc/97/83/91/1186978391.db2.gz UYBDNVULXFGLHB-NEPJUHHUSA-N 1 2 326.238 2.126 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cccn2C)[C@H]1C ZINC001088472557 1186978393 /nfs/dbraw/zinc/97/83/93/1186978393.db2.gz UYBDNVULXFGLHB-NEPJUHHUSA-N 1 2 326.238 2.126 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cncs2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088483955 1187009325 /nfs/dbraw/zinc/00/93/25/1187009325.db2.gz GOFUCNVQDVUOFZ-ZBFHGGJFSA-N 1 2 325.437 2.387 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cncs2)CC[N@H+]1CC#Cc1ccccc1 ZINC001088483955 1187009329 /nfs/dbraw/zinc/00/93/29/1187009329.db2.gz GOFUCNVQDVUOFZ-ZBFHGGJFSA-N 1 2 325.437 2.387 20 30 EEEDLO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)[C@@H]2C)on1 ZINC001088534308 1187177834 /nfs/dbraw/zinc/17/78/34/1187177834.db2.gz MLLNMPGRQZWEHV-MFKMUULPSA-N 1 2 346.412 2.009 20 30 EEEDLO COc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)[C@@H]2C)on1 ZINC001088534308 1187177839 /nfs/dbraw/zinc/17/78/39/1187177839.db2.gz 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C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2scnc2C(C)C)C1 ZINC001484241860 1191284172 /nfs/dbraw/zinc/28/41/72/1191284172.db2.gz RQRFITGFJUBJQT-HNNXBMFYSA-N 1 2 343.880 2.186 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2scnc2C(C)C)C1 ZINC001484241860 1191284174 /nfs/dbraw/zinc/28/41/74/1191284174.db2.gz RQRFITGFJUBJQT-HNNXBMFYSA-N 1 2 343.880 2.186 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1cccc(=O)[nH]1 ZINC001484737452 1191500061 /nfs/dbraw/zinc/50/00/61/1191500061.db2.gz GLUAAFGSCGAEIF-UHFFFAOYSA-N 1 2 342.237 2.090 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1cccc(=O)[nH]1 ZINC001484737452 1191500062 /nfs/dbraw/zinc/50/00/62/1191500062.db2.gz GLUAAFGSCGAEIF-UHFFFAOYSA-N 1 2 342.237 2.090 20 30 EEEDLO COCC1(C(=O)N[C@@H](C)C2C[NH+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001485512395 1191815864 /nfs/dbraw/zinc/81/58/64/1191815864.db2.gz QELGUJSYJPZVNI-ZDUSSCGKSA-N 1 2 345.418 2.060 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCc1cnn2c1C[N@H+](CC/C=C\CC)CC2 ZINC001128602428 1194469906 /nfs/dbraw/zinc/46/99/06/1194469906.db2.gz IEQMMCLQJACHAS-MWWKQMNYSA-N 1 2 346.475 2.262 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCc1cnn2c1C[N@@H+](CC/C=C\CC)CC2 ZINC001128602428 1194469908 /nfs/dbraw/zinc/46/99/08/1194469908.db2.gz IEQMMCLQJACHAS-MWWKQMNYSA-N 1 2 346.475 2.262 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@@H+]([C@@H](C)c3ncc(C)o3)C2)c1 ZINC001033405210 1194548718 /nfs/dbraw/zinc/54/87/18/1194548718.db2.gz IOQXKSCTFJAJOK-WMLDXEAASA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@H+]([C@@H](C)c3ncc(C)o3)C2)c1 ZINC001033405210 1194548722 /nfs/dbraw/zinc/54/87/22/1194548722.db2.gz IOQXKSCTFJAJOK-WMLDXEAASA-N 1 2 338.411 2.267 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001033434866 1194555323 /nfs/dbraw/zinc/55/53/23/1194555323.db2.gz GCKYOKFYEMQCBH-KSZLIROESA-N 1 2 346.475 2.088 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001033434866 1194555324 /nfs/dbraw/zinc/55/53/24/1194555324.db2.gz GCKYOKFYEMQCBH-KSZLIROESA-N 1 2 346.475 2.088 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001014726950 1224237652 /nfs/dbraw/zinc/23/76/52/1224237652.db2.gz AIGBJNLBRQRVPA-INIZCTEOSA-N 1 2 328.391 2.213 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001014726950 1224237658 /nfs/dbraw/zinc/23/76/58/1224237658.db2.gz AIGBJNLBRQRVPA-INIZCTEOSA-N 1 2 328.391 2.213 20 30 EEEDLO Cc1nc(C[NH+]2CCC(N(C)C(=O)c3cc(C#N)c[nH]3)CC2)cs1 ZINC001005219436 1194898079 /nfs/dbraw/zinc/89/80/79/1194898079.db2.gz UULCDVZSJXMBPB-UHFFFAOYSA-N 1 2 343.456 2.388 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC001033617846 1194958952 /nfs/dbraw/zinc/95/89/52/1194958952.db2.gz CBDFROONRZZCSN-APWZRJJASA-N 1 2 348.450 2.294 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)c2ncccn2)C1 ZINC001033617846 1194958956 /nfs/dbraw/zinc/95/89/56/1194958956.db2.gz CBDFROONRZZCSN-APWZRJJASA-N 1 2 348.450 2.294 20 30 EEEDLO CCc1cnc(C[N@H+]2CC[C@H](N(CC)C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001033806201 1195312548 /nfs/dbraw/zinc/31/25/48/1195312548.db2.gz LCDRUQBEFJPPEA-HNNXBMFYSA-N 1 2 341.415 2.173 20 30 EEEDLO CCc1cnc(C[N@@H+]2CC[C@H](N(CC)C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001033806201 1195312554 /nfs/dbraw/zinc/31/25/54/1195312554.db2.gz LCDRUQBEFJPPEA-HNNXBMFYSA-N 1 2 341.415 2.173 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC001033833185 1195347408 /nfs/dbraw/zinc/34/74/08/1195347408.db2.gz MJVLVWKYYCQDLT-BBWFWOEESA-N 1 2 333.432 2.079 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001033833185 1195347412 /nfs/dbraw/zinc/34/74/12/1195347412.db2.gz MJVLVWKYYCQDLT-BBWFWOEESA-N 1 2 333.432 2.079 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2coc(C)n2)CC1 ZINC001005410540 1195401108 /nfs/dbraw/zinc/40/11/08/1195401108.db2.gz SBSZQXGORCOJDV-MSOLQXFVSA-N 1 2 347.459 2.387 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]2OCCN(c3cc(CC)[nH+]c(C)n3)[C@@H]2C1 ZINC001090176784 1195625850 /nfs/dbraw/zinc/62/58/50/1195625850.db2.gz KPXDEEGRJYELIE-IAGOWNOFSA-N 1 2 344.459 2.120 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001034121129 1195805643 /nfs/dbraw/zinc/80/56/43/1195805643.db2.gz IFCKRRVDHGQPPK-QGZVFWFLSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001034121129 1195805646 /nfs/dbraw/zinc/80/56/46/1195805646.db2.gz IFCKRRVDHGQPPK-QGZVFWFLSA-N 1 2 341.390 2.205 20 30 EEEDLO CCc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001034170902 1195893448 /nfs/dbraw/zinc/89/34/48/1195893448.db2.gz GAFVPGXAUKFBES-CQSZACIVSA-N 1 2 341.415 2.221 20 30 EEEDLO CCc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001034170902 1195893449 /nfs/dbraw/zinc/89/34/49/1195893449.db2.gz GAFVPGXAUKFBES-CQSZACIVSA-N 1 2 341.415 2.221 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+]([C@H](C)c3ncccn3)C2)cn1 ZINC001034492501 1196281881 /nfs/dbraw/zinc/28/18/81/1196281881.db2.gz GBLXIYQZOOWVAD-CRAIPNDOSA-N 1 2 349.438 2.198 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+]([C@H](C)c3ncccn3)C2)cn1 ZINC001034492501 1196281885 /nfs/dbraw/zinc/28/18/85/1196281885.db2.gz GBLXIYQZOOWVAD-CRAIPNDOSA-N 1 2 349.438 2.198 20 30 EEEDLO CC(C)[C@H](F)C(=O)NC[C@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108141438 1196524146 /nfs/dbraw/zinc/52/41/46/1196524146.db2.gz XMQPIEIXFOBGDN-PKOBYXMFSA-N 1 2 347.434 2.259 20 30 EEEDLO CC(C)[C@H](F)C(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108141438 1196524149 /nfs/dbraw/zinc/52/41/49/1196524149.db2.gz XMQPIEIXFOBGDN-PKOBYXMFSA-N 1 2 347.434 2.259 20 30 EEEDLO CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)CC1 ZINC001005739665 1196810339 /nfs/dbraw/zinc/81/03/39/1196810339.db2.gz ZAKOHDATLSFTBL-KDOFPFPSSA-N 1 2 328.460 2.022 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001095321085 1197819653 /nfs/dbraw/zinc/81/96/53/1197819653.db2.gz UIUONWZMHJCVOX-ZIAGYGMSSA-N 1 2 342.447 2.369 20 30 EEEDLO Cn1nncc1CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000809994529 1199187424 /nfs/dbraw/zinc/18/74/24/1199187424.db2.gz BNFPMSQTMUDKLB-UHFFFAOYSA-N 1 2 337.383 2.231 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001132002887 1199188181 /nfs/dbraw/zinc/18/81/81/1199188181.db2.gz OAVFBKHEVHFBDR-CVEARBPZSA-N 1 2 328.460 2.102 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001132002887 1199188183 /nfs/dbraw/zinc/18/81/83/1199188183.db2.gz OAVFBKHEVHFBDR-CVEARBPZSA-N 1 2 328.460 2.102 20 30 EEEDLO Cc1ncc(C[N@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)cn1 ZINC001132037500 1199221436 /nfs/dbraw/zinc/22/14/36/1199221436.db2.gz CTPXVJBVCXMEHD-RHSMWYFYSA-N 1 2 328.460 2.304 20 30 EEEDLO Cc1ncc(C[N@@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)cn1 ZINC001132037500 1199221438 /nfs/dbraw/zinc/22/14/38/1199221438.db2.gz CTPXVJBVCXMEHD-RHSMWYFYSA-N 1 2 328.460 2.304 20 30 EEEDLO C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1Nc1ccc(C#N)nc1 ZINC001067222451 1224548166 /nfs/dbraw/zinc/54/81/66/1224548166.db2.gz IDOHEFWLZRLXDP-KPZWWZAWSA-N 1 2 346.394 2.402 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(OC)nn2)C1 ZINC001132218245 1199456068 /nfs/dbraw/zinc/45/60/68/1199456068.db2.gz OBVGQSBZVSGZHA-KBPBESRZSA-N 1 2 332.448 2.167 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001132218245 1199456070 /nfs/dbraw/zinc/45/60/70/1199456070.db2.gz OBVGQSBZVSGZHA-KBPBESRZSA-N 1 2 332.448 2.167 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cnnn2CC)C1 ZINC001132227359 1199467464 /nfs/dbraw/zinc/46/74/64/1199467464.db2.gz BYAUAKBZCJRQHO-DLBZAZTESA-N 1 2 345.491 2.351 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cnnn2CC)C1 ZINC001132227359 1199467469 /nfs/dbraw/zinc/46/74/69/1199467469.db2.gz BYAUAKBZCJRQHO-DLBZAZTESA-N 1 2 345.491 2.351 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3cnnn3C)C2)CCC1 ZINC001132281248 1199515159 /nfs/dbraw/zinc/51/51/59/1199515159.db2.gz AZKOUJVBMDKNQN-LSDHHAIUSA-N 1 2 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/nfs/dbraw/zinc/31/28/11/1217312811.db2.gz ITHWOKVNTGDRRR-CIQGVGRVSA-N 1 2 339.233 2.338 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N3CCCC3)nc2)C1 ZINC001015856626 1225751537 /nfs/dbraw/zinc/75/15/37/1225751537.db2.gz WSEQVKAFVMXDDV-HNNXBMFYSA-N 1 2 334.851 2.238 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(N3CCCC3)nc2)C1 ZINC001015856626 1225751541 /nfs/dbraw/zinc/75/15/41/1225751541.db2.gz WSEQVKAFVMXDDV-HNNXBMFYSA-N 1 2 334.851 2.238 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C)CC(F)(F)C1 ZINC000962252428 1217571608 /nfs/dbraw/zinc/57/16/08/1217571608.db2.gz FMAUTEXKSMALMV-URLYPYJESA-N 1 2 349.219 2.377 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C)CC(F)(F)C1 ZINC000962252428 1217571612 /nfs/dbraw/zinc/57/16/12/1217571612.db2.gz FMAUTEXKSMALMV-URLYPYJESA-N 1 2 349.219 2.377 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)c3ncccc3F)C2)ccc1F ZINC001015903748 1225808948 /nfs/dbraw/zinc/80/89/48/1225808948.db2.gz YUSCUCILYOAJDC-AWEZNQCLSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3ncccc3F)C2)ccc1F ZINC001015903748 1225808949 /nfs/dbraw/zinc/80/89/49/1225808949.db2.gz YUSCUCILYOAJDC-AWEZNQCLSA-N 1 2 342.349 2.236 20 30 EEEDLO C[C@@]1(C(=O)N[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)CCOC1 ZINC001015903941 1225809230 /nfs/dbraw/zinc/80/92/30/1225809230.db2.gz AIOPPWDRPIFIFL-PKOBYXMFSA-N 1 2 346.858 2.309 20 30 EEEDLO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)CCOC1 ZINC001015903941 1225809235 /nfs/dbraw/zinc/80/92/35/1225809235.db2.gz AIOPPWDRPIFIFL-PKOBYXMFSA-N 1 2 346.858 2.309 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@H]2C)ncn1 ZINC000965915502 1219353404 /nfs/dbraw/zinc/35/34/04/1219353404.db2.gz CGCXNVDBULWWRR-KUHUBIRLSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3C#N)CC[C@H]2C)ncn1 ZINC000965915502 1219353405 /nfs/dbraw/zinc/35/34/05/1219353405.db2.gz CGCXNVDBULWWRR-KUHUBIRLSA-N 1 2 349.438 2.297 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nc(CC)no3)C[C@H]21 ZINC001114896161 1219415859 /nfs/dbraw/zinc/41/58/59/1219415859.db2.gz KFLUYSZJLFVXIF-RMRHIDDWSA-N 1 2 332.448 2.342 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nc(CC)no3)C[C@H]21 ZINC001114896161 1219415862 /nfs/dbraw/zinc/41/58/62/1219415862.db2.gz KFLUYSZJLFVXIF-RMRHIDDWSA-N 1 2 332.448 2.342 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cncc(COC)c2)C1 ZINC000966842353 1220063037 /nfs/dbraw/zinc/06/30/37/1220063037.db2.gz JXRVCYYKBKZFPU-BLLLJJGKSA-N 1 2 337.851 2.421 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cncc(COC)c2)C1 ZINC000966842353 1220063040 /nfs/dbraw/zinc/06/30/40/1220063040.db2.gz JXRVCYYKBKZFPU-BLLLJJGKSA-N 1 2 337.851 2.421 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC000967188279 1220333964 /nfs/dbraw/zinc/33/39/64/1220333964.db2.gz YJNLEGDRHMPSNV-IAQYHMDHSA-N 1 2 336.867 2.481 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC000967188279 1220333970 /nfs/dbraw/zinc/33/39/70/1220333970.db2.gz YJNLEGDRHMPSNV-IAQYHMDHSA-N 1 2 336.867 2.481 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2cc(CC)nn2C)C1 ZINC000967419234 1220496736 /nfs/dbraw/zinc/49/67/36/1220496736.db2.gz ICWMLSVWDVCKGV-WBMJQRKESA-N 1 2 338.883 2.104 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2cc(CC)nn2C)C1 ZINC000967419234 1220496740 /nfs/dbraw/zinc/49/67/40/1220496740.db2.gz ICWMLSVWDVCKGV-WBMJQRKESA-N 1 2 338.883 2.104 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3ccc(OC)nn3)CC[C@@H]2C)C1 ZINC000968272758 1221168388 /nfs/dbraw/zinc/16/83/88/1221168388.db2.gz GJJGGVAQEFFWCT-HOCLYGCPSA-N 1 2 344.459 2.168 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3ccc(OC)nn3)CC[C@@H]2C)C1 ZINC000968272758 1221168390 /nfs/dbraw/zinc/16/83/90/1221168390.db2.gz GJJGGVAQEFFWCT-HOCLYGCPSA-N 1 2 344.459 2.168 20 30 EEEDLO N#Cc1ccc([C@H](O)C[N@@H+](CCO)Cc2cccnc2Cl)cc1 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C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001008116501 1222630706 /nfs/dbraw/zinc/63/07/06/1222630706.db2.gz PMAJLFSKXSXENO-UKRRQHHQSA-N 1 2 347.846 2.446 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001008116501 1222630708 /nfs/dbraw/zinc/63/07/08/1222630708.db2.gz PMAJLFSKXSXENO-UKRRQHHQSA-N 1 2 347.846 2.446 20 30 EEEDLO COc1ccnc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)c1 ZINC001008152807 1222656079 /nfs/dbraw/zinc/65/60/79/1222656079.db2.gz NMPWXQVACYNMBY-GOSISDBHSA-N 1 2 349.434 2.336 20 30 EEEDLO COc1ccnc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC001008152807 1222656081 /nfs/dbraw/zinc/65/60/81/1222656081.db2.gz NMPWXQVACYNMBY-GOSISDBHSA-N 1 2 349.434 2.336 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)Cc3cnoc3)C2)cc1F ZINC001008277118 1222731041 /nfs/dbraw/zinc/73/10/41/1222731041.db2.gz RUTBMINRHZTVEI-MRXNPFEDSA-N 1 2 342.374 2.009 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)Cc3cnoc3)C2)cc1F ZINC001008277118 1222731043 /nfs/dbraw/zinc/73/10/43/1222731043.db2.gz RUTBMINRHZTVEI-MRXNPFEDSA-N 1 2 342.374 2.009 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)c3ccncc3F)C2)c1 ZINC001010418404 1223711817 /nfs/dbraw/zinc/71/18/17/1223711817.db2.gz KLIJJZSXLQZQJR-AWEZNQCLSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)c3ccncc3F)C2)c1 ZINC001010418404 1223711820 /nfs/dbraw/zinc/71/18/20/1223711820.db2.gz KLIJJZSXLQZQJR-AWEZNQCLSA-N 1 2 342.349 2.236 20 30 EEEDLO Cc1cccnc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001010483277 1223742729 /nfs/dbraw/zinc/74/27/29/1223742729.db2.gz QFTTYNXBHLTAPM-CYBMUJFWSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1cccnc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001010483277 1223742734 /nfs/dbraw/zinc/74/27/34/1223742734.db2.gz QFTTYNXBHLTAPM-CYBMUJFWSA-N 1 2 326.425 2.328 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CCCCO3)C2)c(F)c1 ZINC001010524610 1223764719 /nfs/dbraw/zinc/76/47/19/1223764719.db2.gz BGWAYAKEGNIVAR-SJORKVTESA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C[C@@H]3CCCCO3)C2)c(F)c1 ZINC001010524610 1223764720 /nfs/dbraw/zinc/76/47/20/1223764720.db2.gz BGWAYAKEGNIVAR-SJORKVTESA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001014433746 1226611450 /nfs/dbraw/zinc/61/14/50/1226611450.db2.gz DLEMTHNCVGQBSF-GOSISDBHSA-N 1 2 349.438 2.484 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001014433746 1226611454 /nfs/dbraw/zinc/61/14/54/1226611454.db2.gz DLEMTHNCVGQBSF-GOSISDBHSA-N 1 2 349.438 2.484 20 30 EEEDLO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)sn1 ZINC001014480509 1226668157 /nfs/dbraw/zinc/66/81/57/1226668157.db2.gz QCPCICALEIAOEU-AWEZNQCLSA-N 1 2 342.424 2.028 20 30 EEEDLO COc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)sn1 ZINC001014480509 1226668162 /nfs/dbraw/zinc/66/81/62/1226668162.db2.gz QCPCICALEIAOEU-AWEZNQCLSA-N 1 2 342.424 2.028 20 30 EEEDLO Cn1nc(C2CC2)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001014594353 1226820121 /nfs/dbraw/zinc/82/01/21/1226820121.db2.gz LTPGQWAKOZMBOL-QGZVFWFLSA-N 1 2 349.438 2.173 20 30 EEEDLO Cn1nc(C2CC2)cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001014594353 1226820126 /nfs/dbraw/zinc/82/01/26/1226820126.db2.gz LTPGQWAKOZMBOL-QGZVFWFLSA-N 1 2 349.438 2.173 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cn3c(n2)CCCC3)C1 ZINC001014616852 1226845870 /nfs/dbraw/zinc/84/58/70/1226845870.db2.gz LICBPVQEXGIABI-QGZVFWFLSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cn3c(n2)CCCC3)C1 ZINC001014616852 1226845877 /nfs/dbraw/zinc/84/58/77/1226845877.db2.gz LICBPVQEXGIABI-QGZVFWFLSA-N 1 2 349.438 2.095 20 30 EEEDLO CCc1nnc(C[N@H+](C)C[C@H]2CCCN(C(=O)C#CC3CC3)C2)s1 ZINC001017127175 1227150744 /nfs/dbraw/zinc/15/07/44/1227150744.db2.gz LTEDCZDXIPKNLP-OAHLLOKOSA-N 1 2 346.500 2.184 20 30 EEEDLO CCc1nnc(C[N@@H+](C)C[C@H]2CCCN(C(=O)C#CC3CC3)C2)s1 ZINC001017127175 1227150746 /nfs/dbraw/zinc/15/07/46/1227150746.db2.gz LTEDCZDXIPKNLP-OAHLLOKOSA-N 1 2 346.500 2.184 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2nnc(C)[nH]2)C1 ZINC001017200692 1227222285 /nfs/dbraw/zinc/22/22/85/1227222285.db2.gz CKQSOQUFPOAVSH-YJBOKZPZSA-N 1 2 333.480 2.386 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2nnc(C)[nH]2)C1 ZINC001017200692 1227222286 /nfs/dbraw/zinc/22/22/86/1227222286.db2.gz CKQSOQUFPOAVSH-YJBOKZPZSA-N 1 2 333.480 2.386 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2c1ccc(C)c2C ZINC001017633044 1227586533 /nfs/dbraw/zinc/58/65/33/1227586533.db2.gz QEEADLAXWZWVSW-CALCHBBNSA-N 1 2 336.439 2.263 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2c1ccc(C)c2C ZINC001017633044 1227586538 /nfs/dbraw/zinc/58/65/38/1227586538.db2.gz QEEADLAXWZWVSW-CALCHBBNSA-N 1 2 336.439 2.263 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(Cl)cc2)nn1 ZINC001038789853 1230058611 /nfs/dbraw/zinc/05/86/11/1230058611.db2.gz HVHATSYIZPRDFA-HNNXBMFYSA-N 1 2 345.834 2.122 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(Cl)cc2)nn1 ZINC001038789853 1230058615 /nfs/dbraw/zinc/05/86/15/1230058615.db2.gz HVHATSYIZPRDFA-HNNXBMFYSA-N 1 2 345.834 2.122 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc3c([nH]2)CCC3)s1 ZINC001038906869 1230152919 /nfs/dbraw/zinc/15/29/19/1230152919.db2.gz SRAHFRQCFNPNAC-CYBMUJFWSA-N 1 2 340.452 2.441 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc3c([nH]2)CCC3)s1 ZINC001038906869 1230152921 /nfs/dbraw/zinc/15/29/21/1230152921.db2.gz SRAHFRQCFNPNAC-CYBMUJFWSA-N 1 2 340.452 2.441 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)c1[nH]nc2ccccc21 ZINC001038979390 1230209601 /nfs/dbraw/zinc/20/96/01/1230209601.db2.gz MQRVBTRRPSLPRA-KRWDZBQOSA-N 1 2 344.418 2.419 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)c1[nH]nc2ccccc21 ZINC001038979390 1230209604 /nfs/dbraw/zinc/20/96/04/1230209604.db2.gz MQRVBTRRPSLPRA-KRWDZBQOSA-N 1 2 344.418 2.419 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@]2(C1)CCC[N@H+](Cc1cscn1)C2 ZINC001040196998 1231093292 /nfs/dbraw/zinc/09/32/92/1231093292.db2.gz HCGXJTBSOONQST-GOSISDBHSA-N 1 2 329.469 2.371 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1cscn1)C2 ZINC001040196998 1231093294 /nfs/dbraw/zinc/09/32/94/1231093294.db2.gz HCGXJTBSOONQST-GOSISDBHSA-N 1 2 329.469 2.371 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)C1 ZINC001040409653 1231215401 /nfs/dbraw/zinc/21/54/01/1231215401.db2.gz ZQJYYDPCNIUQCN-IBGZPJMESA-N 1 2 328.460 2.485 20 30 EEEDLO CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)C1 ZINC001040409653 1231215404 /nfs/dbraw/zinc/21/54/04/1231215404.db2.gz ZQJYYDPCNIUQCN-IBGZPJMESA-N 1 2 328.460 2.485 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@H](CNc3cc[nH+]c(C)n3)[C@H](C)C2)c1 ZINC001040446587 1231238493 /nfs/dbraw/zinc/23/84/93/1231238493.db2.gz IDYIXBVKSAGEDV-RHSMWYFYSA-N 1 2 349.438 2.372 20 30 EEEDLO CCN(CCCNC(=O)c1cccc2[nH+]ccn21)c1ccncc1C#N ZINC001095935249 1231365043 /nfs/dbraw/zinc/36/50/43/1231365043.db2.gz FBAFAFRFCFHKQS-UHFFFAOYSA-N 1 2 348.410 2.247 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@@H](Nc3cc[nH+]c(C)n3)C23CCC3)nc1 ZINC001041593880 1231614414 /nfs/dbraw/zinc/61/44/14/1231614414.db2.gz CGRHQDAABFKYLL-IAGOWNOFSA-N 1 2 347.422 2.314 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(CC[N@H+](Cc3nnc(C)[nH]3)C2)C1 ZINC001041638130 1231633158 /nfs/dbraw/zinc/63/31/58/1231633158.db2.gz IIWWLQPMPBJTQQ-ZWKOTPCHSA-N 1 2 331.464 2.140 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3nnc(C)[nH]3)C2)C1 ZINC001041638130 1231633160 /nfs/dbraw/zinc/63/31/60/1231633160.db2.gz IIWWLQPMPBJTQQ-ZWKOTPCHSA-N 1 2 331.464 2.140 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@@H]2CC[N@H+](Cc3coc(C4CC4)n3)[C@@H]2C1 ZINC001042057075 1231858628 /nfs/dbraw/zinc/85/86/28/1231858628.db2.gz FUHZZOLRXDYAFM-MAUKXSAKSA-N 1 2 339.439 2.388 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@@H]2CC[N@@H+](Cc3coc(C4CC4)n3)[C@@H]2C1 ZINC001042057075 1231858630 /nfs/dbraw/zinc/85/86/30/1231858630.db2.gz FUHZZOLRXDYAFM-MAUKXSAKSA-N 1 2 339.439 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(OC)ns3)C[C@@H]21 ZINC001042064200 1231862976 /nfs/dbraw/zinc/86/29/76/1231862976.db2.gz FAECDQHRZDTZKF-RYUDHWBXSA-N 1 2 341.864 2.441 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(OC)ns3)C[C@@H]21 ZINC001042064200 1231862977 /nfs/dbraw/zinc/86/29/77/1231862977.db2.gz FAECDQHRZDTZKF-RYUDHWBXSA-N 1 2 341.864 2.441 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3nnc(C)o3)[C@H]2C1 ZINC001042183033 1231941648 /nfs/dbraw/zinc/94/16/48/1231941648.db2.gz HWBRNHQQLRLYAL-GJZGRUSLSA-N 1 2 332.448 2.403 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3nnc(C)o3)[C@H]2C1 ZINC001042183033 1231941649 /nfs/dbraw/zinc/94/16/49/1231941649.db2.gz HWBRNHQQLRLYAL-GJZGRUSLSA-N 1 2 332.448 2.403 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3C(C)C)[C@@H]2C1 ZINC001042186174 1231944299 /nfs/dbraw/zinc/94/42/99/1231944299.db2.gz DPVTXBZGLBHCNM-HZPDHXFCSA-N 1 2 345.491 2.494 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3C(C)C)[C@@H]2C1 ZINC001042186174 1231944300 /nfs/dbraw/zinc/94/43/00/1231944300.db2.gz DPVTXBZGLBHCNM-HZPDHXFCSA-N 1 2 345.491 2.494 20 30 EEEDLO C[C@H]1CCCC[C@@H]1OCC[NH+]1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001042630753 1232125374 /nfs/dbraw/zinc/12/53/74/1232125374.db2.gz NIJUANXUDNYPOX-KSSFIOAISA-N 1 2 344.459 2.238 20 30 EEEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1Nc1cccc(F)c1C#N ZINC001043425465 1232428596 /nfs/dbraw/zinc/42/85/96/1232428596.db2.gz BGDJXOODABOIRP-CXAGYDPISA-N 1 2 341.390 2.243 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1nc([C@H](C)OC)no1 ZINC001045149676 1233539274 /nfs/dbraw/zinc/53/92/74/1233539274.db2.gz NCVXEOVAHWJYLM-STQMWFEESA-N 1 2 336.436 2.070 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H]2C[C@@H](C)CO2)CC1 ZINC001045508547 1233785688 /nfs/dbraw/zinc/78/56/88/1233785688.db2.gz OJNAYHLWIKOPOX-DGCLKSJQSA-N 1 2 345.281 2.291 20 30 EEEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cccc(C#CCO)c1 ZINC000900247782 1234120932 /nfs/dbraw/zinc/12/09/32/1234120932.db2.gz XIMQXZNHAWGUKN-UHFFFAOYSA-N 1 2 349.434 2.346 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046248945 1234593721 /nfs/dbraw/zinc/59/37/21/1234593721.db2.gz SVYIXTBIKXTATR-SFHVURJKSA-N 1 2 341.415 2.392 20 30 EEEDLO CC(C)c1ocnc1C[N@H+]1CC[C@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046248945 1234593724 /nfs/dbraw/zinc/59/37/24/1234593724.db2.gz SVYIXTBIKXTATR-SFHVURJKSA-N 1 2 341.415 2.392 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnc(OC(C)C)cn2)C1 ZINC001046314065 1234658174 /nfs/dbraw/zinc/65/81/74/1234658174.db2.gz AWKYGSQTEWFCAD-MRXNPFEDSA-N 1 2 338.839 2.211 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnc(OC(C)C)cn2)C1 ZINC001046314065 1234658176 /nfs/dbraw/zinc/65/81/76/1234658176.db2.gz AWKYGSQTEWFCAD-MRXNPFEDSA-N 1 2 338.839 2.211 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001046402577 1234759182 /nfs/dbraw/zinc/75/91/82/1234759182.db2.gz ILMHAFBEKNNXGD-INIZCTEOSA-N 1 2 336.823 2.006 20 30 EEEDLO 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COC(=O)c1ccc(C(=[NH2+])Nc2c[nH]c3ncnc(Cl)c23)cc1 ZINC001159847637 1320003770 /nfs/dbraw/zinc/00/37/70/1320003770.db2.gz CRMWKQTYCNQLIU-UHFFFAOYSA-N 1 2 329.747 2.387 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2nc(C)no2)CC1 ZINC001160940311 1320323585 /nfs/dbraw/zinc/32/35/85/1320323585.db2.gz BRGBEQFMEXNQLG-KGLIPLIRSA-N 1 2 332.448 2.475 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nc(C)no2)CC1 ZINC001160940311 1320323587 /nfs/dbraw/zinc/32/35/87/1320323587.db2.gz BRGBEQFMEXNQLG-KGLIPLIRSA-N 1 2 332.448 2.475 20 30 EEEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2cn(C)nn2)CC1 ZINC001161336417 1320462609 /nfs/dbraw/zinc/46/26/09/1320462609.db2.gz SVWNZGJORDFNME-UHFFFAOYSA-N 1 2 331.464 2.056 20 30 EEEDLO C=CCC(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2cn(C)nn2)CC1 ZINC001161336417 1320462615 /nfs/dbraw/zinc/46/26/15/1320462615.db2.gz SVWNZGJORDFNME-UHFFFAOYSA-N 1 2 331.464 2.056 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@H](CF)C1 ZINC001262941234 1322399970 /nfs/dbraw/zinc/39/99/70/1322399970.db2.gz GIAINDDAXWHIGQ-HUUCEWRRSA-N 1 2 337.443 2.042 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@H](CF)C1 ZINC001262941234 1322399973 /nfs/dbraw/zinc/39/99/73/1322399973.db2.gz GIAINDDAXWHIGQ-HUUCEWRRSA-N 1 2 337.443 2.042 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001206490242 1323510566 /nfs/dbraw/zinc/51/05/66/1323510566.db2.gz IZLDIDDFHQFEGO-NVXWUHKLSA-N 1 2 329.444 2.336 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cccc(C)c2)C[C@H]1C ZINC001206490242 1323510572 /nfs/dbraw/zinc/51/05/72/1323510572.db2.gz IZLDIDDFHQFEGO-NVXWUHKLSA-N 1 2 329.444 2.336 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCC[N@H+](Cc2cnc(C)cn2)C1 ZINC001266230725 1323810327 /nfs/dbraw/zinc/81/03/27/1323810327.db2.gz RIPAQRLAUZSHJY-APWZRJJASA-N 1 2 346.475 2.094 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001266230725 1323810334 /nfs/dbraw/zinc/81/03/34/1323810334.db2.gz RIPAQRLAUZSHJY-APWZRJJASA-N 1 2 346.475 2.094 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1C#N ZINC001207104657 1323850852 /nfs/dbraw/zinc/85/08/52/1323850852.db2.gz VEYQUSKARILCKH-GASCZTMLSA-N 1 2 330.432 2.480 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1C#N ZINC001207104657 1323850859 /nfs/dbraw/zinc/85/08/59/1323850859.db2.gz VEYQUSKARILCKH-GASCZTMLSA-N 1 2 330.432 2.480 20 30 EEEDLO N#Cc1ccnc(CN2CCCC3(C[NH+](Cc4cccc(=O)[nH]4)C3)C2)c1 ZINC001279605882 1323956245 /nfs/dbraw/zinc/95/62/45/1323956245.db2.gz DEEHKJJXLGQNJP-UHFFFAOYSA-N 1 2 349.438 2.152 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1CCc1ccccc1F ZINC001207496867 1323995531 /nfs/dbraw/zinc/99/55/31/1323995531.db2.gz SHOANWVILUQSKD-QGZVFWFLSA-N 1 2 330.407 2.299 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1CCc1ccccc1F ZINC001207496867 1323995533 /nfs/dbraw/zinc/99/55/33/1323995533.db2.gz SHOANWVILUQSKD-QGZVFWFLSA-N 1 2 330.407 2.299 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001207617574 1324050011 /nfs/dbraw/zinc/05/00/11/1324050011.db2.gz BVETXJCCFRUPPB-DZGCQCFKSA-N 1 2 348.447 2.009 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnc(OC)nc1C ZINC001316602563 1324143787 /nfs/dbraw/zinc/14/37/87/1324143787.db2.gz BEXXRNZFBLTPNH-RDJZCZTQSA-N 1 2 346.475 2.429 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnc(OC)nc1C ZINC001316602563 1324143790 /nfs/dbraw/zinc/14/37/90/1324143790.db2.gz BEXXRNZFBLTPNH-RDJZCZTQSA-N 1 2 346.475 2.429 20 30 EEEDLO C#CCCCCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nc(CC)no2)C1 ZINC001207863264 1324186523 /nfs/dbraw/zinc/18/65/23/1324186523.db2.gz JZOGGGGJRRDPQH-LSDHHAIUSA-N 1 2 332.448 2.467 20 30 EEEDLO C#CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC001207934639 1324220095 /nfs/dbraw/zinc/22/00/95/1324220095.db2.gz HAFICDBAHWHUCH-OAHLLOKOSA-N 1 2 342.399 2.214 20 30 EEEDLO CCC[C@@H](OC)C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208288757 1324399007 /nfs/dbraw/zinc/39/90/07/1324399007.db2.gz BWEGLABZQLREKI-FSPWUOQZSA-N 1 2 347.434 2.449 20 30 EEEDLO CCC[C@@H](OC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001208288757 1324399013 /nfs/dbraw/zinc/39/90/13/1324399013.db2.gz BWEGLABZQLREKI-FSPWUOQZSA-N 1 2 347.434 2.449 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cncc(OC)n2)C[C@H]1C ZINC001208391654 1324471831 /nfs/dbraw/zinc/47/18/31/1324471831.db2.gz RRPLRMXEFMZMJJ-IIAWOOMASA-N 1 2 332.448 2.024 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cncc(OC)n2)C[C@H]1C ZINC001208391654 1324471836 /nfs/dbraw/zinc/47/18/36/1324471836.db2.gz RRPLRMXEFMZMJJ-IIAWOOMASA-N 1 2 332.448 2.024 20 30 EEEDLO C=CCOC[C@H]1C[N@H+](C[C@@H]2CCC=CO2)Cc2nnn(CC3CC3)c21 ZINC001208877730 1324701901 /nfs/dbraw/zinc/70/19/01/1324701901.db2.gz CANJDLLQHXYWOP-SJORKVTESA-N 1 2 344.459 2.483 20 30 EEEDLO C=CCOC[C@H]1C[N@@H+](C[C@@H]2CCC=CO2)Cc2nnn(CC3CC3)c21 ZINC001208877730 1324701907 /nfs/dbraw/zinc/70/19/07/1324701907.db2.gz CANJDLLQHXYWOP-SJORKVTESA-N 1 2 344.459 2.483 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cncc(OC)n2)C[C@H]1C ZINC001208954470 1324735267 /nfs/dbraw/zinc/73/52/67/1324735267.db2.gz MKIUQSMVDCGZBR-UKRRQHHQSA-N 1 2 332.448 2.024 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cncc(OC)n2)C[C@H]1C ZINC001208954470 1324735270 /nfs/dbraw/zinc/73/52/70/1324735270.db2.gz MKIUQSMVDCGZBR-UKRRQHHQSA-N 1 2 332.448 2.024 20 30 EEEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC001209625566 1324992764 /nfs/dbraw/zinc/99/27/64/1324992764.db2.gz BGGOAIABIWZSRD-UHFFFAOYSA-N 1 2 342.443 2.351 20 30 EEEDLO CCOC(=O)c1ccc(-c2ccc(CN3CC[NH2+]C[C@@H]3C#N)o2)cc1 ZINC001210120236 1325167111 /nfs/dbraw/zinc/16/71/11/1325167111.db2.gz BGZMFJMDTJFNFS-INIZCTEOSA-N 1 2 339.395 2.421 20 30 EEEDLO Cc1cccc(-c2nnc([C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)C#N)o2)c1 ZINC001492217039 1331092367 /nfs/dbraw/zinc/09/23/67/1331092367.db2.gz IVUZQAVOSBRVTE-ZIAGYGMSSA-N 1 2 341.415 2.314 20 30 EEEDLO Cc1cccc(-c2nnc([C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)C#N)o2)c1 ZINC001492217039 1331092371 /nfs/dbraw/zinc/09/23/71/1331092371.db2.gz IVUZQAVOSBRVTE-ZIAGYGMSSA-N 1 2 341.415 2.314 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1cnn(CC)c1 ZINC001339528399 1331637303 /nfs/dbraw/zinc/63/73/03/1331637303.db2.gz JVEGIDHMSUJBDY-MRXNPFEDSA-N 1 2 343.479 2.474 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)Cc1cnn(CC)c1 ZINC001339528399 1331637306 /nfs/dbraw/zinc/63/73/06/1331637306.db2.gz JVEGIDHMSUJBDY-MRXNPFEDSA-N 1 2 343.479 2.474 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001316995782 1332036556 /nfs/dbraw/zinc/03/65/56/1332036556.db2.gz ZNENEKZEXOTUMG-SFHVURJKSA-N 1 2 346.858 2.475 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001316995782 1332036557 /nfs/dbraw/zinc/03/65/57/1332036557.db2.gz ZNENEKZEXOTUMG-SFHVURJKSA-N 1 2 346.858 2.475 20 30 EEEDLO S=C(NC[C@H]1CCCO1)N[NH+]=Cc1ccccc1N1CCCC1 ZINC001317704853 1332379835 /nfs/dbraw/zinc/37/98/35/1332379835.db2.gz AFOCOLHAGAGEGS-OAHLLOKOSA-N 1 2 332.473 2.264 20 30 EEEDLO CC(C)C(C#N)=CNNc1ccc(S(=O)(=O)N2CCCCC2)c[nH+]1 ZINC001320028095 1332812952 /nfs/dbraw/zinc/81/29/52/1332812952.db2.gz OFGWWYGJRIWZKI-AWEZNQCLSA-N 1 2 349.460 2.450 20 30 EEEDLO Cc1cc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)no1 ZINC001320269004 1332854366 /nfs/dbraw/zinc/85/43/66/1332854366.db2.gz VUGHBPFFDLSNMA-UHFFFAOYSA-N 1 2 341.371 2.475 20 30 EEEDLO Cc1cc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)no1 ZINC001320269004 1332854368 /nfs/dbraw/zinc/85/43/68/1332854368.db2.gz VUGHBPFFDLSNMA-UHFFFAOYSA-N 1 2 341.371 2.475 20 30 EEEDLO C#Cc1ccc(NCc2ccccc2OCC[NH+]2CCOCC2)nc1 ZINC001336492688 1336552839 /nfs/dbraw/zinc/55/28/39/1336552839.db2.gz VDUKYMAQZQZWSI-UHFFFAOYSA-N 1 2 337.423 2.386 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)CCCF ZINC001340195502 1337135544 /nfs/dbraw/zinc/13/55/44/1337135544.db2.gz LWQOQLLSHYJNEB-GJZGRUSLSA-N 1 2 337.443 2.186 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)CCCF ZINC001340195502 1337135545 /nfs/dbraw/zinc/13/55/45/1337135545.db2.gz LWQOQLLSHYJNEB-GJZGRUSLSA-N 1 2 337.443 2.186 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccns3)C[C@@H]2O)CCCC1 ZINC001100145512 1338068583 /nfs/dbraw/zinc/06/85/83/1338068583.db2.gz LWVZMCOPCADFGW-HOTGVXAUSA-N 1 2 349.500 2.331 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccns3)C[C@@H]2O)CCCC1 ZINC001100145512 1338068587 /nfs/dbraw/zinc/06/85/87/1338068587.db2.gz LWVZMCOPCADFGW-HOTGVXAUSA-N 1 2 349.500 2.331 20 30 EEEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)C3CCCC3)CC2)cc1 ZINC001434852551 1341967287 /nfs/dbraw/zinc/96/72/87/1341967287.db2.gz LEJCOUFYZCUZDI-UHFFFAOYSA-N 1 2 327.428 2.423 20 30 EEEDLO C=C[C@H](C(=O)NC[C@@H]([NH2+]Cc1c[nH]nn1)C(C)C)c1ccccc1 ZINC001575061594 1343726356 /nfs/dbraw/zinc/72/63/56/1343726356.db2.gz ISNZQGSJSPUHCG-DLBZAZTESA-N 1 2 327.432 2.005 20 30 EEEDLO C=C[C@H](C(=O)NC[C@@H]([NH2+]Cc1cn[nH]n1)C(C)C)c1ccccc1 ZINC001575061594 1343726358 /nfs/dbraw/zinc/72/63/58/1343726358.db2.gz ISNZQGSJSPUHCG-DLBZAZTESA-N 1 2 327.432 2.005 20 30 EEEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001602807764 1350589700 /nfs/dbraw/zinc/58/97/00/1350589700.db2.gz PPOYAENTNINPLC-INIZCTEOSA-N 1 2 339.399 2.074 20 30 EEEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001602807764 1350589703 /nfs/dbraw/zinc/58/97/03/1350589703.db2.gz PPOYAENTNINPLC-INIZCTEOSA-N 1 2 339.399 2.074 20 30 EEEDLO CN(CCCNc1c(C#N)cccc1-c1nn[nH]n1)c1cccc[nH+]1 ZINC001604750606 1350996528 /nfs/dbraw/zinc/99/65/28/1350996528.db2.gz XEXBKAYWLOKQME-UHFFFAOYSA-N 1 2 334.387 2.072 20 30 EEEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001647706152 1353388581 /nfs/dbraw/zinc/38/85/81/1353388581.db2.gz SRZUVFYVAFQDSH-GJZGRUSLSA-N 1 2 330.480 2.483 20 30 EEEDLO Cc1ccnc(C[N@@H+]2CCC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)n1 ZINC001040203476 1367048980 /nfs/dbraw/zinc/04/89/80/1367048980.db2.gz ZBVNJZSIKWBUSJ-FQEVSTJZSA-N 1 2 338.455 2.013 20 30 EEEDLO Cc1ccnc(C[N@H+]2CCC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)n1 ZINC001040203476 1367048983 /nfs/dbraw/zinc/04/89/83/1367048983.db2.gz ZBVNJZSIKWBUSJ-FQEVSTJZSA-N 1 2 338.455 2.013 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(C(=O)CSCC#N)C2)sc1C ZINC001188959581 1368334671 /nfs/dbraw/zinc/33/46/71/1368334671.db2.gz VYEHMAIOLZLNIT-ZDUSSCGKSA-N 1 2 338.502 2.049 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@H]2CCN(C(=O)CSCC#N)C2)sc1C ZINC001188959581 1368334677 /nfs/dbraw/zinc/33/46/77/1368334677.db2.gz VYEHMAIOLZLNIT-ZDUSSCGKSA-N 1 2 338.502 2.049 20 30 EEEDLO COCC1(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)CCC1 ZINC001196564179 1368592188 /nfs/dbraw/zinc/59/21/88/1368592188.db2.gz BRIHSVNYJKZJID-UHFFFAOYSA-N 1 2 340.467 2.389 20 30 EEEDLO COCC1(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)CCC1 ZINC001196564179 1368592193 /nfs/dbraw/zinc/59/21/93/1368592193.db2.gz BRIHSVNYJKZJID-UHFFFAOYSA-N 1 2 340.467 2.389 20 30 EEEDLO Cc1nc(NC[C@H](NC(=O)CSCC#N)C2CCCC2)cc[nH+]1 ZINC001110650508 1369276404 /nfs/dbraw/zinc/27/64/04/1369276404.db2.gz RNAZZYCJXWXZKU-AWEZNQCLSA-N 1 2 333.461 2.129 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C(C)(C)C1 ZINC001069603903 1370196972 /nfs/dbraw/zinc/19/69/72/1370196972.db2.gz XPSRSPODKQGTIB-CYBMUJFWSA-N 1 2 346.479 2.107 20 30 EEEDLO C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1[nH]nc3ccccc31)C[C@H](C)O2 ZINC001071237627 1370442060 /nfs/dbraw/zinc/44/20/60/1370442060.db2.gz ATMPVMPQWJGDRT-LIRRHRJNSA-N 1 2 340.427 2.054 20 30 EEEDLO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1[nH]nc3ccccc31)C[C@H](C)O2 ZINC001071237627 1370442064 /nfs/dbraw/zinc/44/20/64/1370442064.db2.gz ATMPVMPQWJGDRT-LIRRHRJNSA-N 1 2 340.427 2.054 20 30 EEEDLO C#CCCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001071988350 1370595150 /nfs/dbraw/zinc/59/51/50/1370595150.db2.gz NQUPJWICZRBJOY-WMLDXEAASA-N 1 2 341.455 2.387 20 30 EEEDLO CC[C@@H](OC)C(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001072532912 1370728917 /nfs/dbraw/zinc/72/89/17/1370728917.db2.gz ASPKEKGSUOHJNI-QGZVFWFLSA-N 1 2 345.418 2.157 20 30 EEEDLO CC[C@@H](OC)C(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001072532912 1370728922 /nfs/dbraw/zinc/72/89/22/1370728922.db2.gz ASPKEKGSUOHJNI-QGZVFWFLSA-N 1 2 345.418 2.157 20 30 EEEDLO C=C(C)CCC(=O)N1CCC(C)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001073070724 1370808827 /nfs/dbraw/zinc/80/88/27/1370808827.db2.gz PEOHYSLSTYJFLB-HNNXBMFYSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)CCC(=O)N1CCC(C)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001073070724 1370808835 /nfs/dbraw/zinc/80/88/35/1370808835.db2.gz PEOHYSLSTYJFLB-HNNXBMFYSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1nc(COC)no1)C2 ZINC001111650588 1371200681 /nfs/dbraw/zinc/20/06/81/1371200681.db2.gz XUXMVLCFWPZKSD-DEYYWGMASA-N 1 2 348.447 2.214 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1nc(COC)no1)C2 ZINC001111650588 1371200688 /nfs/dbraw/zinc/20/06/88/1371200688.db2.gz XUXMVLCFWPZKSD-DEYYWGMASA-N 1 2 348.447 2.214 20 30 EEEDLO Cc1nc(NCCC[C@@H](C)NC(=O)CCn2cc[nH+]c2)ccc1C#N ZINC001115037758 1371496000 /nfs/dbraw/zinc/49/60/00/1371496000.db2.gz ZLSVAQAUUYMNPP-CQSZACIVSA-N 1 2 340.431 2.245 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CC[C@@H](C)C1 ZINC001121594607 1371904514 /nfs/dbraw/zinc/90/45/14/1371904514.db2.gz UGMYVIZNYJAREV-PMPSAXMXSA-N 1 2 331.464 2.236 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CC[C@@H](C)C1 ZINC001121594607 1371904517 /nfs/dbraw/zinc/90/45/17/1371904517.db2.gz UGMYVIZNYJAREV-PMPSAXMXSA-N 1 2 331.464 2.236 20 30 EEEDLO C=CCOCC(=O)N1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C[C@H]1C ZINC001123212814 1372108868 /nfs/dbraw/zinc/10/88/68/1372108868.db2.gz HUMSOKPQEISEDA-UKRRQHHQSA-N 1 2 344.459 2.268 20 30 EEEDLO C[C@@H]1C[C@H](Nc2ccc(C#N)nc2)CN1C(=O)CCCn1cc[nH+]c1 ZINC001123243373 1372112574 /nfs/dbraw/zinc/11/25/74/1372112574.db2.gz OBUSALCCKMCABU-PBHICJAKSA-N 1 2 338.415 2.031 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001123867138 1372192602 /nfs/dbraw/zinc/19/26/02/1372192602.db2.gz MQBKKPGPNBRJIJ-CHWSQXEVSA-N 1 2 342.447 2.272 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2CC2CC2)CC1 ZINC000830549671 1372335256 /nfs/dbraw/zinc/33/52/56/1372335256.db2.gz OOEGPGITXJFWRE-UHFFFAOYSA-N 1 2 339.418 2.249 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001139531301 1372513075 /nfs/dbraw/zinc/51/30/75/1372513075.db2.gz UZDGRMDQJFATIR-JKSUJKDBSA-N 1 2 349.406 2.421 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001139531301 1372513078 /nfs/dbraw/zinc/51/30/78/1372513078.db2.gz UZDGRMDQJFATIR-JKSUJKDBSA-N 1 2 349.406 2.421 20 30 EEEDLO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccnc3)C2)c1 ZINC001139878509 1372532882 /nfs/dbraw/zinc/53/28/82/1372532882.db2.gz NGYFBKRNDMPOAH-GOSISDBHSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1cc(F)cc(C[N@H+]2CCC[C@@H](NC(=O)c3cccnc3)C2)c1 ZINC001139878509 1372532886 /nfs/dbraw/zinc/53/28/86/1372532886.db2.gz NGYFBKRNDMPOAH-GOSISDBHSA-N 1 2 338.386 2.487 20 30 EEEDLO CC(C)(C)C#CC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000837394203 1372784759 /nfs/dbraw/zinc/78/47/59/1372784759.db2.gz CTRQOZLVCVCGQO-UHFFFAOYSA-N 1 2 343.471 2.182 20 30 EEEDLO C=C(C)CCC(=O)N1CCCO[C@@H](C[NH2+]Cc2nc(C3CC3)no2)C1 ZINC001200628272 1373068186 /nfs/dbraw/zinc/06/81/86/1373068186.db2.gz SJHUUOYQVFMKLK-HNNXBMFYSA-N 1 2 348.447 2.010 20 30 EEEDLO N#Cc1ccnc(C(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)c1 ZINC001363061802 1373478928 /nfs/dbraw/zinc/47/89/28/1373478928.db2.gz VKTKWMBPENUUTO-INIZCTEOSA-N 1 2 326.787 2.393 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC1CCC1)NC(C)=O ZINC001366662859 1373994088 /nfs/dbraw/zinc/99/40/88/1373994088.db2.gz KQPKZESETGAXFB-HZPDHXFCSA-N 1 2 341.883 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC1CCC1)NC(C)=O ZINC001366662859 1373994099 /nfs/dbraw/zinc/99/40/99/1373994099.db2.gz KQPKZESETGAXFB-HZPDHXFCSA-N 1 2 341.883 2.014 20 30 EEEDLO C[N@H+](CCNC(=O)c1ocnc1C1CC1)Cc1ccc(C#N)cc1F ZINC001372104259 1375774711 /nfs/dbraw/zinc/77/47/11/1375774711.db2.gz QXEUSDSACPARJK-UHFFFAOYSA-N 1 2 342.374 2.425 20 30 EEEDLO C[N@@H+](CCNC(=O)c1ocnc1C1CC1)Cc1ccc(C#N)cc1F ZINC001372104259 1375774716 /nfs/dbraw/zinc/77/47/16/1375774716.db2.gz QXEUSDSACPARJK-UHFFFAOYSA-N 1 2 342.374 2.425 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)COc2ccc(OC)c(C)c2)C1 ZINC001376137151 1378321281 /nfs/dbraw/zinc/32/12/81/1378321281.db2.gz YFJPWACKZMLGMF-CQSZACIVSA-N 1 2 338.835 2.325 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)COc2ccc(OC)c(C)c2)C1 ZINC001376137151 1378321289 /nfs/dbraw/zinc/32/12/89/1378321289.db2.gz YFJPWACKZMLGMF-CQSZACIVSA-N 1 2 338.835 2.325 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)CCOC)C1 ZINC001378204842 1379747509 /nfs/dbraw/zinc/74/75/09/1379747509.db2.gz RHDJMTTUQDIFPN-ZDUSSCGKSA-N 1 2 347.297 2.490 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)CCOC)C1 ZINC001378204842 1379747515 /nfs/dbraw/zinc/74/75/15/1379747515.db2.gz RHDJMTTUQDIFPN-ZDUSSCGKSA-N 1 2 347.297 2.490 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCNC(=O)CC(C)C)[C@@H]1C ZINC001379659074 1380802298 /nfs/dbraw/zinc/80/22/98/1380802298.db2.gz RUUIAJWDUZIDKX-LSDHHAIUSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCNC(=O)CC(C)C)[C@@H]1C ZINC001379659074 1380802302 /nfs/dbraw/zinc/80/23/02/1380802302.db2.gz RUUIAJWDUZIDKX-LSDHHAIUSA-N 1 2 343.899 2.260 20 30 EEEDLO C[C@@H](C#N)C(=O)NC1(C)CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC001380296943 1381160221 /nfs/dbraw/zinc/16/02/21/1381160221.db2.gz DSINTVWDIYKSLI-RYUDHWBXSA-N 1 2 331.420 2.138 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC12CC[NH+](Cc1ncnn1CCF)CC2 ZINC001752425898 1406307266 /nfs/dbraw/zinc/30/72/66/1406307266.db2.gz GTSJXWQFSJBTOY-HNNXBMFYSA-N 1 2 349.454 2.075 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cnn3cc[nH]c23)C1 ZINC001391287001 1389204285 /nfs/dbraw/zinc/20/42/85/1389204285.db2.gz FQBBDVDLUKAKJC-CYBMUJFWSA-N 1 2 335.839 2.341 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cnn3cc[nH]c23)C1 ZINC001391287001 1389204288 /nfs/dbraw/zinc/20/42/88/1389204288.db2.gz FQBBDVDLUKAKJC-CYBMUJFWSA-N 1 2 335.839 2.341 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC001752786916 1406407465 /nfs/dbraw/zinc/40/74/65/1406407465.db2.gz BWKREJYYPNEQCZ-CQSZACIVSA-N 1 2 349.479 2.066 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2nc(N(C)C)no2)C1 ZINC001752786916 1406407467 /nfs/dbraw/zinc/40/74/67/1406407467.db2.gz BWKREJYYPNEQCZ-CQSZACIVSA-N 1 2 349.479 2.066 20 30 EEEDLO CCO[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N)C1CC1 ZINC001392278845 1389948009 /nfs/dbraw/zinc/94/80/09/1389948009.db2.gz WRAQPWOQTJGKGD-GOSISDBHSA-N 1 2 329.444 2.264 20 30 EEEDLO CCO[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N)C1CC1 ZINC001392278845 1389948012 /nfs/dbraw/zinc/94/80/12/1389948012.db2.gz WRAQPWOQTJGKGD-GOSISDBHSA-N 1 2 329.444 2.264 20 30 EEEDLO CN(CC[N@H+](C)Cc1cccc(C#N)c1)C(=O)C(F)C(F)(F)F ZINC001392281743 1389948317 /nfs/dbraw/zinc/94/83/17/1389948317.db2.gz ZSODAXKOZOJFOU-ZDUSSCGKSA-N 1 2 331.313 2.349 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)C(F)C(F)(F)F ZINC001392281743 1389948321 /nfs/dbraw/zinc/94/83/21/1389948321.db2.gz ZSODAXKOZOJFOU-ZDUSSCGKSA-N 1 2 331.313 2.349 20 30 EEEDLO CN(CC[N@H+](C)Cc1cccc(C#N)c1)C(=O)[C@H](F)C(F)(F)F ZINC001392281743 1389948323 /nfs/dbraw/zinc/94/83/23/1389948323.db2.gz ZSODAXKOZOJFOU-ZDUSSCGKSA-N 1 2 331.313 2.349 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)[C@H](F)C(F)(F)F ZINC001392281743 1389948326 /nfs/dbraw/zinc/94/83/26/1389948326.db2.gz ZSODAXKOZOJFOU-ZDUSSCGKSA-N 1 2 331.313 2.349 20 30 EEEDLO C[C@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)c1[nH]nc2c1CCC2 ZINC001392675071 1390148124 /nfs/dbraw/zinc/14/81/24/1390148124.db2.gz FCDQLENFPMWWIP-CYBMUJFWSA-N 1 2 337.427 2.020 20 30 EEEDLO C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)c1[nH]nc2c1CCC2 ZINC001392675071 1390148126 /nfs/dbraw/zinc/14/81/26/1390148126.db2.gz FCDQLENFPMWWIP-CYBMUJFWSA-N 1 2 337.427 2.020 20 30 EEEDLO C[C@H](C[N@H+](C)Cc1ccc(C#N)cc1)NC(=O)c1[nH]nc2c1CCC2 ZINC001392674930 1390148277 /nfs/dbraw/zinc/14/82/77/1390148277.db2.gz DJGZDSZFZKBXCZ-CYBMUJFWSA-N 1 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C=C1CC(C)(C(=O)NCC[N@H+](C)[C@H](CC)C(=O)Nc2cc(C)on2)C1 ZINC001753064877 1406659261 /nfs/dbraw/zinc/65/92/61/1406659261.db2.gz VTNLDDKKSVHBQD-CQSZACIVSA-N 1 2 348.447 2.104 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[N@@H+](CC)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001753090821 1406678402 /nfs/dbraw/zinc/67/84/02/1406678402.db2.gz YPQCZBMGWGAOJC-OAHLLOKOSA-N 1 2 335.423 2.002 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[N@H+](CC)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001753090821 1406678407 /nfs/dbraw/zinc/67/84/07/1406678407.db2.gz YPQCZBMGWGAOJC-OAHLLOKOSA-N 1 2 335.423 2.002 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)COC(C)C)C1 ZINC001399286778 1394935410 /nfs/dbraw/zinc/93/54/10/1394935410.db2.gz FOGRJISPKZJGLO-CYBMUJFWSA-N 1 2 333.270 2.243 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)COC(C)C)C1 ZINC001399286778 1394935415 /nfs/dbraw/zinc/93/54/15/1394935415.db2.gz FOGRJISPKZJGLO-CYBMUJFWSA-N 1 2 333.270 2.243 20 30 EEEDLO C[N@H+](CCNC(=O)c1ccccc1O)Cc1cc(C#N)ccc1F ZINC001399439007 1395094797 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/nfs/dbraw/zinc/22/41/89/782224189.db2.gz GEVAAJZWVXVYGC-GUTXKFCHSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC000942341592 782256204 /nfs/dbraw/zinc/25/62/04/782256204.db2.gz KYHPQVNLKKAJIU-GOEBONIOSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000942341592 782256212 /nfs/dbraw/zinc/25/62/12/782256212.db2.gz KYHPQVNLKKAJIU-GOEBONIOSA-N 1 2 344.459 2.052 20 30 EEEDLO NC(=NOCc1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000060197669 790290246 /nfs/dbraw/zinc/29/02/46/790290246.db2.gz OEIPAJHLDMHLIS-UHFFFAOYSA-N 1 2 325.412 2.356 20 30 EEEDLO C=CCCC(=O)N1CCO[C@@H](CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001111939015 761594656 /nfs/dbraw/zinc/59/46/56/761594656.db2.gz OFTROSFNPLBGNS-HNNXBMFYSA-N 1 2 344.459 2.269 20 30 EEEDLO C=CCC1(C(=O)N(C)[C@@H](C)CNc2cc[nH+]c(C)n2)CCOCC1 ZINC001104635351 764602850 /nfs/dbraw/zinc/60/28/50/764602850.db2.gz SOIHTJVMXKDVJW-AWEZNQCLSA-N 1 2 332.448 2.417 20 30 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ZINC001090554413 786893540 /nfs/dbraw/zinc/89/35/40/786893540.db2.gz XZIZFLBZYSIPOJ-LSDHHAIUSA-N 1 2 349.500 2.168 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)c(C)s3)C[C@H]2O)C1 ZINC001090554413 786893548 /nfs/dbraw/zinc/89/35/48/786893548.db2.gz XZIZFLBZYSIPOJ-LSDHHAIUSA-N 1 2 349.500 2.168 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2C2CCC2)[C@@H](O)C1 ZINC001090574664 787027121 /nfs/dbraw/zinc/02/71/21/787027121.db2.gz VQZAHFBSDVGUIM-GJZGRUSLSA-N 1 2 337.851 2.200 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2C2CCC2)[C@@H](O)C1 ZINC001090574664 787027132 /nfs/dbraw/zinc/02/71/32/787027132.db2.gz VQZAHFBSDVGUIM-GJZGRUSLSA-N 1 2 337.851 2.200 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c(F)c2)[C@H](O)C1 ZINC001090588092 787097446 /nfs/dbraw/zinc/09/74/46/787097446.db2.gz BWSBEKKABRMNBY-ZIAGYGMSSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c(F)c2)[C@H](O)C1 ZINC001090588092 787097451 /nfs/dbraw/zinc/09/74/51/787097451.db2.gz BWSBEKKABRMNBY-ZIAGYGMSSA-N 1 2 347.217 2.397 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001062060127 787295217 /nfs/dbraw/zinc/29/52/17/787295217.db2.gz MRDHSCGQSNMDFS-HZPDHXFCSA-N 1 2 332.448 2.298 20 30 EEEDLO Cc1cc(N(C)C[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001062096060 787376916 /nfs/dbraw/zinc/37/69/16/787376916.db2.gz GFABMLDAXQFDID-GXTWGEPZSA-N 1 2 327.432 2.107 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(OC)n1 ZINC001109634653 805783695 /nfs/dbraw/zinc/78/36/95/805783695.db2.gz SQFAGCJTCCPEPL-ORQFMDKSSA-N 1 2 344.459 2.309 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(OC)n1 ZINC001109634653 805783701 /nfs/dbraw/zinc/78/37/01/805783701.db2.gz SQFAGCJTCCPEPL-ORQFMDKSSA-N 1 2 344.459 2.309 20 30 EEEDLO C=CCC1(C(=O)NC/C=C/CNc2nc(N(C)C)nc(C)[nH+]2)CCC1 ZINC001107503549 787453779 /nfs/dbraw/zinc/45/37/79/787453779.db2.gz SMBGUWJEOYWJDC-VOTSOKGWSA-N 1 2 344.463 2.077 20 30 EEEDLO N#Cc1cnc(NC/C=C/CNC(=O)CCc2c[nH]c[nH+]2)c(Cl)c1 ZINC001107566677 787673369 /nfs/dbraw/zinc/67/33/69/787673369.db2.gz VXYCKECDPZGKNW-OWOJBTEDSA-N 1 2 344.806 2.047 20 30 EEEDLO N#Cc1cnc(NC/C=C/CNC(=O)CCc2c[nH+]c[nH]2)c(Cl)c1 ZINC001107566677 787673373 /nfs/dbraw/zinc/67/33/73/787673373.db2.gz VXYCKECDPZGKNW-OWOJBTEDSA-N 1 2 344.806 2.047 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)CC)CCC1 ZINC001109683637 805872797 /nfs/dbraw/zinc/87/27/97/805872797.db2.gz VQRPNZVMWAVMDS-NCOADZHNSA-N 1 2 347.503 2.369 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)CC)CCC1 ZINC001109683637 805872807 /nfs/dbraw/zinc/87/28/07/805872807.db2.gz VQRPNZVMWAVMDS-NCOADZHNSA-N 1 2 347.503 2.369 20 30 EEEDLO C=CCCOCC(=O)N[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107804280 788511498 /nfs/dbraw/zinc/51/14/98/788511498.db2.gz HMMFQHPKBOVRTM-CYBMUJFWSA-N 1 2 332.448 2.173 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3c2CCC3)[C@H](O)C1 ZINC001090841021 788539860 /nfs/dbraw/zinc/53/98/60/788539860.db2.gz IEBUWCBVWLILDG-IAGOWNOFSA-N 1 2 334.847 2.093 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc3c2CCC3)[C@H](O)C1 ZINC001090841021 788539884 /nfs/dbraw/zinc/53/98/84/788539884.db2.gz IEBUWCBVWLILDG-IAGOWNOFSA-N 1 2 334.847 2.093 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)Cc2cnoc2)CC1 ZINC001005871285 788592471 /nfs/dbraw/zinc/59/24/71/788592471.db2.gz NQZOFVFQHMVZHP-UHFFFAOYSA-N 1 2 342.237 2.049 20 30 EEEDLO C=C(Cl)C[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)C2CC2)C1 ZINC001127863221 788638140 /nfs/dbraw/zinc/63/81/40/788638140.db2.gz OMJFRGLXNRPEGI-HNNXBMFYSA-N 1 2 335.835 2.313 20 30 EEEDLO C[C@@]1(CNC(=O)C2CC=CC2)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107834126 788648496 /nfs/dbraw/zinc/64/84/96/788648496.db2.gz VWBXIGAKFRPYDX-HXUWFJFHSA-N 1 2 339.439 2.232 20 30 EEEDLO C[C@@]1(CNC(=O)C2CC=CC2)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107834126 788648500 /nfs/dbraw/zinc/64/85/00/788648500.db2.gz VWBXIGAKFRPYDX-HXUWFJFHSA-N 1 2 339.439 2.232 20 30 EEEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC2(F)F)cc1C#N ZINC001032391550 789006092 /nfs/dbraw/zinc/00/60/92/789006092.db2.gz CZCXRIJFCQPSNB-KKUMJFAQSA-N 1 2 347.365 2.007 20 30 EEEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC2(F)F)cc1C#N ZINC001032391550 789006097 /nfs/dbraw/zinc/00/60/97/789006097.db2.gz CZCXRIJFCQPSNB-KKUMJFAQSA-N 1 2 347.365 2.007 20 30 EEEDLO C#CCCCCC(=O)NC[C@@]1(C)C[N@H+](CCC(F)(F)F)CCO1 ZINC001107883005 789048532 /nfs/dbraw/zinc/04/85/32/789048532.db2.gz IGLWZLOYUGHYQO-HNNXBMFYSA-N 1 2 334.382 2.340 20 30 EEEDLO C#CCCCCC(=O)NC[C@@]1(C)C[N@@H+](CCC(F)(F)F)CCO1 ZINC001107883005 789048540 /nfs/dbraw/zinc/04/85/40/789048540.db2.gz IGLWZLOYUGHYQO-HNNXBMFYSA-N 1 2 334.382 2.340 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](C)[C@@H](C)COC)CC2)C1 ZINC001105713826 789141339 /nfs/dbraw/zinc/14/13/39/789141339.db2.gz XGJVJFGYUQYXMC-JKSUJKDBSA-N 1 2 338.492 2.173 20 30 EEEDLO C[C@H](CNc1ccc(C#N)nc1)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001107903671 789203621 /nfs/dbraw/zinc/20/36/21/789203621.db2.gz IQCLYSYAQVWNGD-CQSZACIVSA-N 1 2 346.394 2.369 20 30 EEEDLO CC(C)COC[C@H]1C[N@H+](Cc2cncc(C#N)c2)Cc2ncn(C)c21 ZINC001144075860 789212219 /nfs/dbraw/zinc/21/22/19/789212219.db2.gz UHZFUYXQVDBTKG-QGZVFWFLSA-N 1 2 339.443 2.459 20 30 EEEDLO CC(C)COC[C@H]1C[N@@H+](Cc2cncc(C#N)c2)Cc2ncn(C)c21 ZINC001144075860 789212227 /nfs/dbraw/zinc/21/22/27/789212227.db2.gz UHZFUYXQVDBTKG-QGZVFWFLSA-N 1 2 339.443 2.459 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1scnc1C ZINC001032409948 789245995 /nfs/dbraw/zinc/24/59/95/789245995.db2.gz ITGSSGWOSXDGFG-JONQDZQNSA-N 1 2 347.484 2.218 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1scnc1C ZINC001032409948 789246001 /nfs/dbraw/zinc/24/60/01/789246001.db2.gz ITGSSGWOSXDGFG-JONQDZQNSA-N 1 2 347.484 2.218 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnn(CC(C)C)c2CC)C1 ZINC001107941412 789584492 /nfs/dbraw/zinc/58/44/92/789584492.db2.gz FIUQGVLQWREKMZ-IBGZPJMESA-N 1 2 348.491 2.108 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnn(CC(C)C)c2CC)C1 ZINC001107941412 789584498 /nfs/dbraw/zinc/58/44/98/789584498.db2.gz FIUQGVLQWREKMZ-IBGZPJMESA-N 1 2 348.491 2.108 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001107949859 789728229 /nfs/dbraw/zinc/72/82/29/789728229.db2.gz SZDIGCCHVRVKFQ-GFCCVEGCSA-N 1 2 328.420 2.048 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001079039005 789778027 /nfs/dbraw/zinc/77/80/27/789778027.db2.gz HELCAYNMFJONNJ-DLBZAZTESA-N 1 2 346.475 2.325 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2sc(C)cc2OC(F)F)C1 ZINC000923575090 789809614 /nfs/dbraw/zinc/80/96/14/789809614.db2.gz HXNVBCXYXGZEQO-LLVKDONJSA-N 1 2 328.384 2.485 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sc(C)cc2OC(F)F)C1 ZINC000923575090 789809621 /nfs/dbraw/zinc/80/96/21/789809621.db2.gz HXNVBCXYXGZEQO-LLVKDONJSA-N 1 2 328.384 2.485 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079045155 789989180 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340.855 2.072 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001082099877 797171708 /nfs/dbraw/zinc/17/17/08/797171708.db2.gz VLCJTFIFWRDTGD-HNNXBMFYSA-N 1 2 346.475 2.360 20 30 EEEDLO CN1CC[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1(C)C ZINC001172991853 797201824 /nfs/dbraw/zinc/20/18/24/797201824.db2.gz MNQUSJBDQWTTLS-GJZGRUSLSA-N 1 2 336.480 2.304 20 30 EEEDLO CN1CC[N@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1(C)C ZINC001172991853 797201829 /nfs/dbraw/zinc/20/18/29/797201829.db2.gz MNQUSJBDQWTTLS-GJZGRUSLSA-N 1 2 336.480 2.304 20 30 EEEDLO N#Cc1cccnc1NCCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001095006273 797222878 /nfs/dbraw/zinc/22/28/78/797222878.db2.gz BCPCYAANLZUNSB-UHFFFAOYSA-N 1 2 340.431 2.398 20 30 EEEDLO N#Cc1cccnc1NCCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001095006273 797222884 /nfs/dbraw/zinc/22/28/84/797222884.db2.gz BCPCYAANLZUNSB-UHFFFAOYSA-N 1 2 340.431 2.398 20 30 EEEDLO Cc1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)cn1 ZINC001095133380 797381649 /nfs/dbraw/zinc/38/16/49/797381649.db2.gz JWFWXGILVIZWJG-HBFSDRIKSA-N 1 2 346.434 2.172 20 30 EEEDLO Cc1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)cn1 ZINC001095133380 797381655 /nfs/dbraw/zinc/38/16/55/797381655.db2.gz JWFWXGILVIZWJG-HBFSDRIKSA-N 1 2 346.434 2.172 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001082262449 797381820 /nfs/dbraw/zinc/38/18/20/797381820.db2.gz LQNYATXFZNCEPU-INIZCTEOSA-N 1 2 332.448 2.196 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001082262449 797381828 /nfs/dbraw/zinc/38/18/28/797381828.db2.gz LQNYATXFZNCEPU-INIZCTEOSA-N 1 2 332.448 2.196 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001095145393 797423827 /nfs/dbraw/zinc/42/38/27/797423827.db2.gz KWLCJKTZAJVXKJ-QAPCUYQASA-N 1 2 332.448 2.051 20 30 EEEDLO CCOC(=O)C(C)(C)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173423066 797442159 /nfs/dbraw/zinc/44/21/59/797442159.db2.gz DDMHERIQPSVCSM-UHFFFAOYSA-N 1 2 343.427 2.094 20 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ZINC001083026528 797817518 /nfs/dbraw/zinc/81/75/18/797817518.db2.gz DEFKPXOQIVVENP-VBNZEHGJSA-N 1 2 349.381 2.195 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC(C)(C)CC1)C2 ZINC001110174374 797885836 /nfs/dbraw/zinc/88/58/36/797885836.db2.gz ZPMBSUWFPCSROR-IKGGRYGDSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC(C)(C)CC1)C2 ZINC001110174374 797885840 /nfs/dbraw/zinc/88/58/40/797885840.db2.gz ZPMBSUWFPCSROR-IKGGRYGDSA-N 1 2 347.503 2.227 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)sc1C ZINC001084333071 798154191 /nfs/dbraw/zinc/15/41/91/798154191.db2.gz ACFWOUWAWHITDD-HZPDHXFCSA-N 1 2 329.469 2.206 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)sc1C ZINC001084333071 798154194 /nfs/dbraw/zinc/15/41/94/798154194.db2.gz ACFWOUWAWHITDD-HZPDHXFCSA-N 1 2 329.469 2.206 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cnco4)[C@@H]3C2)c(F)c1 ZINC001084557947 798276036 /nfs/dbraw/zinc/27/60/36/798276036.db2.gz WSDRKXCNWRLBAB-GDBMZVCRSA-N 1 2 340.358 2.032 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cnco4)[C@@H]3C2)c(F)c1 ZINC001084557947 798276041 /nfs/dbraw/zinc/27/60/41/798276041.db2.gz WSDRKXCNWRLBAB-GDBMZVCRSA-N 1 2 340.358 2.032 20 30 EEEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCOC3)c2C1 ZINC001128235872 798456385 /nfs/dbraw/zinc/45/63/85/798456385.db2.gz ZEYRBLLUNGSHRI-INIZCTEOSA-N 1 2 348.491 2.322 20 30 EEEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCOC3)c2C1 ZINC001128235872 798456389 /nfs/dbraw/zinc/45/63/89/798456389.db2.gz ZEYRBLLUNGSHRI-INIZCTEOSA-N 1 2 348.491 2.322 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)OC)C[C@@H]21 ZINC001084902669 798543264 /nfs/dbraw/zinc/54/32/64/798543264.db2.gz LMQCGUHHSXSSOZ-RDBSUJKOSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)OC)C[C@@H]21 ZINC001084902669 798543265 /nfs/dbraw/zinc/54/32/65/798543265.db2.gz LMQCGUHHSXSSOZ-RDBSUJKOSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2ccncc2C)CC1 ZINC001002752682 798555640 /nfs/dbraw/zinc/55/56/40/798555640.db2.gz MCZBOTAVQNKBDE-UHFFFAOYSA-N 1 2 338.249 2.493 20 30 EEEDLO CC(C)C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1cccc(F)c1C#N ZINC000922025565 798697258 /nfs/dbraw/zinc/69/72/58/798697258.db2.gz HTIKGPDSCOQFRK-CYBMUJFWSA-N 1 2 339.436 2.048 20 30 EEEDLO CC(C)C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cccc(F)c1C#N ZINC000922025565 798697260 /nfs/dbraw/zinc/69/72/60/798697260.db2.gz HTIKGPDSCOQFRK-CYBMUJFWSA-N 1 2 339.436 2.048 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](CCOCC)[C@@H]2C1 ZINC001177019970 798698783 /nfs/dbraw/zinc/69/87/83/798698783.db2.gz UZKFRILUZGKRAP-CABCVRRESA-N 1 2 344.883 2.103 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](CCOCC)[C@@H]2C1 ZINC001177019970 798698790 /nfs/dbraw/zinc/69/87/90/798698790.db2.gz UZKFRILUZGKRAP-CABCVRRESA-N 1 2 344.883 2.103 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]2OCC[N@@H+](CCOCC)[C@H]2C1 ZINC001177020486 798699530 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EEEDLO CCCCCCCCC(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001177140160 798768335 /nfs/dbraw/zinc/76/83/35/798768335.db2.gz WNASJKXHOOEXFR-QZTJIDSGSA-N 1 2 340.508 2.421 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](CC)O2)CC1 ZINC001002939172 798848346 /nfs/dbraw/zinc/84/83/46/798848346.db2.gz YPKLVODSIIOTTJ-ZIAGYGMSSA-N 1 2 345.281 2.433 20 30 EEEDLO C[C@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCN(c2ccncc2C#N)C1 ZINC001065357820 798949184 /nfs/dbraw/zinc/94/91/84/798949184.db2.gz RIOXQIZRQSOEKV-IBGZPJMESA-N 1 2 346.394 2.228 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)/C=C(\C)CC)CC2)C1 ZINC001065692010 799368019 /nfs/dbraw/zinc/36/80/19/799368019.db2.gz OCBHKMFNTVLZAJ-FYPAKXHLSA-N 1 2 333.476 2.054 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)CCC)C2)CC1 ZINC001065693915 799371639 /nfs/dbraw/zinc/37/16/39/799371639.db2.gz IKDIPEDVQLWROY-SJORKVTESA-N 1 2 349.519 2.380 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C(C)=C\C)C2)CC1 ZINC001065698346 799383260 /nfs/dbraw/zinc/38/32/60/799383260.db2.gz GNUHANHAHNGTGZ-ZFRNKKSCSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)C[C@@H](C)CC)CC2)C1 ZINC001065709727 799404882 /nfs/dbraw/zinc/40/48/82/799404882.db2.gz ZMJRJGJQYCFEDG-IRXDYDNUSA-N 1 2 349.519 2.380 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(C3CC3)no2)[C@@H]1C ZINC001178587325 799523769 /nfs/dbraw/zinc/52/37/69/799523769.db2.gz HOWRCYPCJKLURX-IPYPFGDCSA-N 1 2 330.432 2.391 20 30 EEEDLO CCCCc1noc(C[NH2+][C@H]2CCN(C(=O)C#CC(C)C)[C@H]2C)n1 ZINC001178648921 799562016 /nfs/dbraw/zinc/56/20/16/799562016.db2.gz QAVTVLHWAAHZHA-GJZGRUSLSA-N 1 2 332.448 2.151 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001065965373 799808280 /nfs/dbraw/zinc/80/82/80/799808280.db2.gz DJINZBNJEIQHLU-INIZCTEOSA-N 1 2 345.443 2.096 20 30 EEEDLO C=CCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001078876524 800070133 /nfs/dbraw/zinc/07/01/33/800070133.db2.gz YOZMBWDXKUGBFK-ARFHVFGLSA-N 1 2 344.459 2.319 20 30 EEEDLO C=CCCC(=O)N(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001078876524 800070139 /nfs/dbraw/zinc/07/01/39/800070139.db2.gz YOZMBWDXKUGBFK-ARFHVFGLSA-N 1 2 344.459 2.319 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(F)F)C1 ZINC001032856659 800134685 /nfs/dbraw/zinc/13/46/85/800134685.db2.gz OVWPOLYHJMBDLF-AWEZNQCLSA-N 1 2 337.370 2.255 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](N(C)C(=O)C(C)(F)F)C1 ZINC001032856659 800134688 /nfs/dbraw/zinc/13/46/88/800134688.db2.gz OVWPOLYHJMBDLF-AWEZNQCLSA-N 1 2 337.370 2.255 20 30 EEEDLO C=CCC1(C(=O)NCc2cnn3c2C[N@H+](C[C@H](C)OC)CC3)CCC1 ZINC001128483917 800234289 /nfs/dbraw/zinc/23/42/89/800234289.db2.gz BPHIDUSFWJMIJA-HNNXBMFYSA-N 1 2 346.475 2.096 20 30 EEEDLO C=CCC1(C(=O)NCc2cnn3c2C[N@@H+](C[C@H](C)OC)CC3)CCC1 ZINC001128483917 800234294 /nfs/dbraw/zinc/23/42/94/800234294.db2.gz BPHIDUSFWJMIJA-HNNXBMFYSA-N 1 2 346.475 2.096 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)Cc2ccco2)CC1 ZINC001003824455 800281176 /nfs/dbraw/zinc/28/11/76/800281176.db2.gz RKQOVIVPJOYQSR-UHFFFAOYSA-N 1 2 327.222 2.311 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(c3ccccc3)CCC2)C1 ZINC001108061642 800420444 /nfs/dbraw/zinc/42/04/44/800420444.db2.gz QVYWJUNCSJBWKO-FQEVSTJZSA-N 1 2 340.467 2.339 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(c3ccccc3)CCC2)C1 ZINC001108061642 800420450 /nfs/dbraw/zinc/42/04/50/800420450.db2.gz QVYWJUNCSJBWKO-FQEVSTJZSA-N 1 2 340.467 2.339 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)n[nH]1 ZINC001032934615 800479664 /nfs/dbraw/zinc/47/96/64/800479664.db2.gz FGWIKIRSTGXIEM-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n[nH]1 ZINC001032934615 800479665 /nfs/dbraw/zinc/47/96/65/800479665.db2.gz FGWIKIRSTGXIEM-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCc2ccccc2)[C@@H](O)C1 ZINC001099979409 800512648 /nfs/dbraw/zinc/51/26/48/800512648.db2.gz UFNJFRBGFNTVBW-SJORKVTESA-N 1 2 336.863 2.313 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCc2ccccc2)[C@@H](O)C1 ZINC001099979409 800512652 /nfs/dbraw/zinc/51/26/52/800512652.db2.gz UFNJFRBGFNTVBW-SJORKVTESA-N 1 2 336.863 2.313 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001066260539 800535188 /nfs/dbraw/zinc/53/51/88/800535188.db2.gz FWWPGQGZFDFIQT-OAHLLOKOSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001066260539 800535190 /nfs/dbraw/zinc/53/51/90/800535190.db2.gz FWWPGQGZFDFIQT-OAHLLOKOSA-N 1 2 346.475 2.442 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)c1cccn1C ZINC001085490529 800624365 /nfs/dbraw/zinc/62/43/65/800624365.db2.gz ANOYWJSBTNYQSV-GOSISDBHSA-N 1 2 339.414 2.362 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)c1cccn1C ZINC001085490529 800624369 /nfs/dbraw/zinc/62/43/69/800624369.db2.gz ANOYWJSBTNYQSV-GOSISDBHSA-N 1 2 339.414 2.362 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC)C3)c1 ZINC001110243210 800760460 /nfs/dbraw/zinc/76/04/60/800760460.db2.gz NDBSPGDVXGALAE-KURKYZTESA-N 1 2 339.439 2.128 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC)C3)c1 ZINC001110243210 800760463 /nfs/dbraw/zinc/76/04/63/800760463.db2.gz NDBSPGDVXGALAE-KURKYZTESA-N 1 2 339.439 2.128 20 30 EEEDLO Cc1cc(NCC[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001066287832 800935559 /nfs/dbraw/zinc/93/55/59/800935559.db2.gz IIWUAKSBMDHWHK-TZMCWYRMSA-N 1 2 327.432 2.473 20 30 EEEDLO CC(C)c1noc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C#CC(C)(C)C)C2)n1 ZINC001182443211 801181783 /nfs/dbraw/zinc/18/17/83/801181783.db2.gz XJBRGRRWUKSLDS-UONOGXRCSA-N 1 2 332.448 2.494 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c(C)nn(C)c2s1 ZINC001085750496 801186349 /nfs/dbraw/zinc/18/63/49/801186349.db2.gz HKLWFUFKJJHDSZ-CYBMUJFWSA-N 1 2 330.457 2.113 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c(C)nn(C)c2s1 ZINC001085750496 801186353 /nfs/dbraw/zinc/18/63/53/801186353.db2.gz HKLWFUFKJJHDSZ-CYBMUJFWSA-N 1 2 330.457 2.113 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085823408 801373308 /nfs/dbraw/zinc/37/33/08/801373308.db2.gz IFKNQMOWTVHLLY-AQNXPRMDSA-N 1 2 338.451 2.162 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085823408 801373317 /nfs/dbraw/zinc/37/33/17/801373317.db2.gz IFKNQMOWTVHLLY-AQNXPRMDSA-N 1 2 338.451 2.162 20 30 EEEDLO Cc1c[nH]nc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033079656 801495943 /nfs/dbraw/zinc/49/59/43/801495943.db2.gz SKHAPLBVHRQKET-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1c[nH]nc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033079656 801495945 /nfs/dbraw/zinc/49/59/45/801495945.db2.gz SKHAPLBVHRQKET-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001066380350 802103203 /nfs/dbraw/zinc/10/32/03/802103203.db2.gz KKRISEFTBPVAPR-LSDHHAIUSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001066380350 802103206 /nfs/dbraw/zinc/10/32/06/802103206.db2.gz KKRISEFTBPVAPR-LSDHHAIUSA-N 1 2 346.475 2.298 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2cc(C3CC3)no2)CC1 ZINC001004454827 802111780 /nfs/dbraw/zinc/11/17/80/802111780.db2.gz AJPPMTIQGPZHKZ-GOSISDBHSA-N 1 2 342.443 2.321 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2cc(C3CC3)no2)CC1 ZINC001004454827 802111787 /nfs/dbraw/zinc/11/17/87/802111787.db2.gz AJPPMTIQGPZHKZ-GOSISDBHSA-N 1 2 342.443 2.321 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001066387535 802131244 /nfs/dbraw/zinc/13/12/44/802131244.db2.gz WOOPTHPOVMITOP-MRXNPFEDSA-N 1 2 346.475 2.206 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cnc3ccccn23)CC1 ZINC001004472563 802161522 /nfs/dbraw/zinc/16/15/22/802161522.db2.gz GKABJAHXDBTDSR-INIZCTEOSA-N 1 2 337.427 2.174 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cnc3ccccn23)CC1 ZINC001004472563 802161526 /nfs/dbraw/zinc/16/15/26/802161526.db2.gz GKABJAHXDBTDSR-INIZCTEOSA-N 1 2 337.427 2.174 20 30 EEEDLO Cc1ccn([C@@H](C)CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004497839 802228374 /nfs/dbraw/zinc/22/83/74/802228374.db2.gz DVHIROSYNAMVTF-FUHWJXTLSA-N 1 2 343.475 2.369 20 30 EEEDLO Cc1ccn([C@@H](C)CC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004497839 802228380 /nfs/dbraw/zinc/22/83/80/802228380.db2.gz DVHIROSYNAMVTF-FUHWJXTLSA-N 1 2 343.475 2.369 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2cncs2)CC1 ZINC001004541622 802334095 /nfs/dbraw/zinc/33/40/95/802334095.db2.gz KCHBETGWWZYRFE-MRXNPFEDSA-N 1 2 332.473 2.302 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2cncs2)CC1 ZINC001004541622 802334105 /nfs/dbraw/zinc/33/41/05/802334105.db2.gz KCHBETGWWZYRFE-MRXNPFEDSA-N 1 2 332.473 2.302 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC001066434672 802429481 /nfs/dbraw/zinc/42/94/81/802429481.db2.gz MWGBSIWSCCLXOE-HDJSIYSDSA-N 1 2 338.415 2.006 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(c3cccc(OC)c3)CC2)C1 ZINC001108250308 802446809 /nfs/dbraw/zinc/44/68/09/802446809.db2.gz QJCKLLGUANUFLX-IBGZPJMESA-N 1 2 344.455 2.120 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(c3cccc(OC)c3)CC2)C1 ZINC001108250308 802446815 /nfs/dbraw/zinc/44/68/15/802446815.db2.gz QJCKLLGUANUFLX-IBGZPJMESA-N 1 2 344.455 2.120 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CCC1 ZINC001066506932 802821432 /nfs/dbraw/zinc/82/14/32/802821432.db2.gz NGVFIUMDPPXCTP-HNNXBMFYSA-N 1 2 344.459 2.196 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2CC[NH+](Cc3nccs3)CC2)nc1 ZINC001006302505 802877843 /nfs/dbraw/zinc/87/78/43/802877843.db2.gz GRUVJTVGUVGDCM-UHFFFAOYSA-N 1 2 340.452 2.256 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccc(C)c2Cl)C1 ZINC001108289891 803210906 /nfs/dbraw/zinc/21/09/06/803210906.db2.gz TUJNXEMRHHNGKQ-GOSISDBHSA-N 1 2 334.847 2.492 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccc(C)c2Cl)C1 ZINC001108289891 803210909 /nfs/dbraw/zinc/21/09/09/803210909.db2.gz TUJNXEMRHHNGKQ-GOSISDBHSA-N 1 2 334.847 2.492 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnn([C@H](C)CC)c2C)C1 ZINC001108332145 803304628 /nfs/dbraw/zinc/30/46/28/803304628.db2.gz WYLTWXRLKKIIFS-KDOFPFPSSA-N 1 2 334.464 2.169 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnn([C@H](C)CC)c2C)C1 ZINC001108332145 803304633 /nfs/dbraw/zinc/30/46/33/803304633.db2.gz WYLTWXRLKKIIFS-KDOFPFPSSA-N 1 2 334.464 2.169 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001108406483 803483507 /nfs/dbraw/zinc/48/35/07/803483507.db2.gz VVWSYGZVTVSLJQ-HXUWFJFHSA-N 1 2 344.455 2.482 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001108406483 803483511 /nfs/dbraw/zinc/48/35/11/803483511.db2.gz VVWSYGZVTVSLJQ-HXUWFJFHSA-N 1 2 344.455 2.482 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001108411275 803484340 /nfs/dbraw/zinc/48/43/40/803484340.db2.gz YMNVPUYBUIXUHK-UGSOOPFHSA-N 1 2 338.398 2.461 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001108411275 803484344 /nfs/dbraw/zinc/48/43/44/803484344.db2.gz YMNVPUYBUIXUHK-UGSOOPFHSA-N 1 2 338.398 2.461 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC001108408070 803495560 /nfs/dbraw/zinc/49/55/60/803495560.db2.gz BPRBLLRXVVSJMR-ICSRJNTNSA-N 1 2 344.455 2.000 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC001108408070 803495564 /nfs/dbraw/zinc/49/55/64/803495564.db2.gz BPRBLLRXVVSJMR-ICSRJNTNSA-N 1 2 344.455 2.000 20 30 EEEDLO C=C[C@H](C(=O)NC[C@]1(C)C[N@H+](CC#CC)CCO1)c1ccccc1 ZINC001108412378 803515373 /nfs/dbraw/zinc/51/53/73/803515373.db2.gz KBUHYDNAYSQMRW-AZUAARDMSA-N 1 2 326.440 2.187 20 30 EEEDLO C=C[C@H](C(=O)NC[C@]1(C)C[N@@H+](CC#CC)CCO1)c1ccccc1 ZINC001108412378 803515376 /nfs/dbraw/zinc/51/53/76/803515376.db2.gz KBUHYDNAYSQMRW-AZUAARDMSA-N 1 2 326.440 2.187 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccc3oc(C)nc32)C1 ZINC001108428982 803542000 /nfs/dbraw/zinc/54/20/00/803542000.db2.gz DLBULHIECBPENM-GOSISDBHSA-N 1 2 329.400 2.143 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccc3oc(C)nc32)C1 ZINC001108428982 803542005 /nfs/dbraw/zinc/54/20/05/803542005.db2.gz DLBULHIECBPENM-GOSISDBHSA-N 1 2 329.400 2.143 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)CN(C)c2nc(C)[nH+]c(C)c2C)cn1 ZINC001109030884 804843570 /nfs/dbraw/zinc/84/35/70/804843570.db2.gz HNIBBCMUIALSBQ-GFCCVEGCSA-N 1 2 337.427 2.033 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001109213142 805128599 /nfs/dbraw/zinc/12/85/99/805128599.db2.gz MYZCAGVVEAXSCT-XJIUQZFPSA-N 1 2 335.473 2.000 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001109213142 805128603 /nfs/dbraw/zinc/12/86/03/805128603.db2.gz MYZCAGVVEAXSCT-XJIUQZFPSA-N 1 2 335.473 2.000 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ncc[nH]1)C2 ZINC001109222593 805154392 /nfs/dbraw/zinc/15/43/92/805154392.db2.gz DHHAQYHJOGERBZ-SQNIBIBYSA-N 1 2 349.438 2.136 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ncc[nH]1)C2 ZINC001109222593 805154399 /nfs/dbraw/zinc/15/43/99/805154399.db2.gz DHHAQYHJOGERBZ-SQNIBIBYSA-N 1 2 349.438 2.136 20 30 EEEDLO C[C@@H](c1cnccn1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109261114 805208195 /nfs/dbraw/zinc/20/81/95/805208195.db2.gz SPEBQNZTRVEAKP-IVSAIRAKSA-N 1 2 326.444 2.309 20 30 EEEDLO C[C@@H](c1cnccn1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109261114 805208203 /nfs/dbraw/zinc/20/82/03/805208203.db2.gz SPEBQNZTRVEAKP-IVSAIRAKSA-N 1 2 326.444 2.309 20 30 EEEDLO C[C@@H](CN(C)c1ccc(C#N)cn1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001109311852 805298888 /nfs/dbraw/zinc/29/88/88/805298888.db2.gz AWRACRFASDERRR-LBPRGKRZSA-N 1 2 334.383 2.084 20 30 EEEDLO Cc1ccc(N2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1C ZINC000787272140 807076051 /nfs/dbraw/zinc/07/60/51/807076051.db2.gz RHNCDMNRPLZXPY-QGZVFWFLSA-N 1 2 340.471 2.376 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1O ZINC001112750506 807125668 /nfs/dbraw/zinc/12/56/68/807125668.db2.gz BILHGJBIDQXUTI-HOTGVXAUSA-N 1 2 346.475 2.178 20 30 EEEDLO Cc1nc(N(C)C[C@@H]2CCCN2C(=O)CSCC#N)c(C)c(C)[nH+]1 ZINC001112779561 807207144 /nfs/dbraw/zinc/20/71/44/807207144.db2.gz CMMWZALCSDRJIJ-HNNXBMFYSA-N 1 2 347.488 2.086 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CCC[C@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001112802750 807277975 /nfs/dbraw/zinc/27/79/75/807277975.db2.gz ZRTYAHGBDUFRCK-QFBILLFUSA-N 1 2 346.475 2.441 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC001112885804 807539821 /nfs/dbraw/zinc/53/98/21/807539821.db2.gz REDSAOVORBGSEN-CQSZACIVSA-N 1 2 334.382 2.212 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccoc2C(F)(F)F)CC1 ZINC001112887978 807544570 /nfs/dbraw/zinc/54/45/70/807544570.db2.gz HHAPDVBRRGIZRA-UHFFFAOYSA-N 1 2 332.322 2.259 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cccn2)C1 ZINC001086575428 808021716 /nfs/dbraw/zinc/02/17/16/808021716.db2.gz QRHIDLZOWBLOSB-DLBZAZTESA-N 1 2 344.846 2.220 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cccn2)C1 ZINC001086575428 808021727 /nfs/dbraw/zinc/02/17/27/808021727.db2.gz QRHIDLZOWBLOSB-DLBZAZTESA-N 1 2 344.846 2.220 20 30 EEEDLO C=CCC1(C(=O)N[C@@H](C)[C@@H](C)Nc2[nH+]cnc3c2cnn3C)CCC1 ZINC001113281117 808612280 /nfs/dbraw/zinc/61/22/80/808612280.db2.gz OCNDDGSJSBBZSL-OLZOCXBDSA-N 1 2 342.447 2.415 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccnc(C(F)(F)F)c2)CC1 ZINC001113492304 809091576 /nfs/dbraw/zinc/09/15/76/809091576.db2.gz RDMXFTSDDBGUCB-UHFFFAOYSA-N 1 2 343.349 2.061 20 30 EEEDLO Cc1nc(N(C)[C@H](C)CNC(=O)C#CC2CC2)c2c([nH+]1)CCCC2 ZINC001113585843 809282277 /nfs/dbraw/zinc/28/22/77/809282277.db2.gz OXXNXUONYQBHSG-CYBMUJFWSA-N 1 2 326.444 2.018 20 30 EEEDLO C=CC[C@H](C(=O)N1CC[NH+](CCn2cccn2)CC1)c1ccccc1 ZINC001113661419 809474684 /nfs/dbraw/zinc/47/46/84/809474684.db2.gz SVSLJBZOQMCOSS-IBGZPJMESA-N 1 2 338.455 2.387 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2c(Cl)cccc2OC)CC1 ZINC001113677744 809518740 /nfs/dbraw/zinc/51/87/40/809518740.db2.gz MJBDQTCHUHMYAZ-UHFFFAOYSA-N 1 2 338.835 2.309 20 30 EEEDLO C[C@H](CCCNc1cccc(F)c1C#N)NC(=O)Cc1c[nH+]cn1C ZINC001114964702 809781503 /nfs/dbraw/zinc/78/15/03/809781503.db2.gz WNROQWOBTMCFIN-CYBMUJFWSA-N 1 2 343.406 2.370 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001113995543 810154232 /nfs/dbraw/zinc/15/42/32/810154232.db2.gz DWTMCWDKBFCOCV-CTNYNGJSSA-N 1 2 345.443 2.080 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001113995543 810154233 /nfs/dbraw/zinc/15/42/33/810154233.db2.gz DWTMCWDKBFCOCV-CTNYNGJSSA-N 1 2 345.443 2.080 20 30 EEEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)Nc3ccccc3F)C[C@H]21 ZINC001114024487 810203936 /nfs/dbraw/zinc/20/39/36/810203936.db2.gz APQAYFYHHKZJMF-ZXTQRBJTSA-N 1 2 345.418 2.165 20 30 EEEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)Nc3ccccc3F)C[C@H]21 ZINC001114024487 810203939 /nfs/dbraw/zinc/20/39/39/810203939.db2.gz APQAYFYHHKZJMF-ZXTQRBJTSA-N 1 2 345.418 2.165 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nc(CCCC)no3)C[C@H]21 ZINC001114201071 810580437 /nfs/dbraw/zinc/58/04/37/810580437.db2.gz IYEHGCSIYYKZHI-OIPACUDHSA-N 1 2 344.459 2.323 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nc(CCCC)no3)C[C@H]21 ZINC001114201071 810580441 /nfs/dbraw/zinc/58/04/41/810580441.db2.gz IYEHGCSIYYKZHI-OIPACUDHSA-N 1 2 344.459 2.323 20 30 EEEDLO CCCC[C@@H](CNc1cc[nH+]c(C)n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001114251383 810682623 /nfs/dbraw/zinc/68/26/23/810682623.db2.gz OZCSWEJBANWGJA-AWEZNQCLSA-N 1 2 326.404 2.386 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CCC)CC(C)C)[C@@H](n2ccnn2)C1 ZINC001129470113 810857714 /nfs/dbraw/zinc/85/77/14/810857714.db2.gz CNRWSLHMBWBWGC-KSZLIROESA-N 1 2 345.491 2.105 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CCC)CC(C)C)[C@@H](n2ccnn2)C1 ZINC001129470113 810857724 /nfs/dbraw/zinc/85/77/24/810857724.db2.gz CNRWSLHMBWBWGC-KSZLIROESA-N 1 2 345.491 2.105 20 30 EEEDLO CCc1n[nH]c(C(=O)NCC[NH2+]Cc2ccccc2C#N)c1Cl ZINC001129714583 810966561 /nfs/dbraw/zinc/96/65/61/810966561.db2.gz PCHZMEKDQWZOBB-UHFFFAOYSA-N 1 2 331.807 2.017 20 30 EEEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](CCCC)C(C)C)CC1 ZINC001131399749 812765100 /nfs/dbraw/zinc/76/51/00/812765100.db2.gz YSVVXXCQUFRXNW-QGZVFWFLSA-N 1 2 337.508 2.285 20 30 EEEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](CCCC)C(C)C)CC1 ZINC001131399749 812765104 /nfs/dbraw/zinc/76/51/04/812765104.db2.gz YSVVXXCQUFRXNW-QGZVFWFLSA-N 1 2 337.508 2.285 20 30 EEEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](CC)CC(C)C)CC1 ZINC001131393375 812784441 /nfs/dbraw/zinc/78/44/41/812784441.db2.gz WIIVYYTZKFOVNR-KRWDZBQOSA-N 1 2 337.508 2.285 20 30 EEEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](CC)CC(C)C)CC1 ZINC001131393375 812784445 /nfs/dbraw/zinc/78/44/45/812784445.db2.gz WIIVYYTZKFOVNR-KRWDZBQOSA-N 1 2 337.508 2.285 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)CCC(F)(F)F)C1 ZINC001438110893 1090645758 /nfs/dbraw/zinc/64/57/58/1090645758.db2.gz IQDXNWNHPKKGKI-UHFFFAOYSA-N 1 2 325.334 2.449 20 30 EEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ncc(C#N)cc2Cl)C1 ZINC001445632858 1091424307 /nfs/dbraw/zinc/42/43/07/1091424307.db2.gz UWHFSVYDYNLILH-LBPRGKRZSA-N 1 2 343.818 2.435 20 30 EEEDLO C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC001448725245 1093795924 /nfs/dbraw/zinc/79/59/24/1093795924.db2.gz NFZVQSMQOITRKC-SNVBAGLBSA-N 1 2 341.253 2.246 20 30 EEEDLO C[C@H](NC(=O)Cc1ccco1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001441186152 1094544686 /nfs/dbraw/zinc/54/46/86/1094544686.db2.gz DZOKKXLAUYNKIP-ZDUSSCGKSA-N 1 2 341.386 2.470 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCC(=O)NCCC)[C@H]1C ZINC001441907967 1096075846 /nfs/dbraw/zinc/07/58/46/1096075846.db2.gz VBVSOXJQODJWQY-HUUCEWRRSA-N 1 2 343.899 2.405 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCC(=O)NCCC)[C@H]1C ZINC001441907967 1096075858 /nfs/dbraw/zinc/07/58/58/1096075858.db2.gz VBVSOXJQODJWQY-HUUCEWRRSA-N 1 2 343.899 2.405 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1csc([C@H]2CCCO2)n1 ZINC001442401755 1096723699 /nfs/dbraw/zinc/72/36/99/1096723699.db2.gz NMXWOPFJGFQSGD-GFCCVEGCSA-N 1 2 329.853 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1csc([C@H]2CCCO2)n1 ZINC001442401755 1096723701 /nfs/dbraw/zinc/72/37/01/1096723701.db2.gz NMXWOPFJGFQSGD-GFCCVEGCSA-N 1 2 329.853 2.409 20 30 EEEDLO Cn1cccc1C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001442978012 1097401671 /nfs/dbraw/zinc/40/16/71/1097401671.db2.gz ISEYBLSVXHBFIO-UHFFFAOYSA-N 1 2 340.402 2.430 20 30 EEEDLO Cn1cccc1C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001442978012 1097401674 /nfs/dbraw/zinc/40/16/74/1097401674.db2.gz ISEYBLSVXHBFIO-UHFFFAOYSA-N 1 2 340.402 2.430 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CCCc2nc(C)no2)C1 ZINC001443874329 1098399839 /nfs/dbraw/zinc/39/98/39/1098399839.db2.gz IRBFRKITVIMWFF-CQSZACIVSA-N 1 2 340.855 2.376 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCCc2nc(C)no2)C1 ZINC001443874329 1098399843 /nfs/dbraw/zinc/39/98/43/1098399843.db2.gz IRBFRKITVIMWFF-CQSZACIVSA-N 1 2 340.855 2.376 20 30 EEEDLO CCCCC(=O)NC[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC001444435389 1099066661 /nfs/dbraw/zinc/06/66/61/1099066661.db2.gz MUKRBOFNVDOFHE-GOSISDBHSA-N 1 2 345.443 2.096 20 30 EEEDLO CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC001444435389 1099066674 /nfs/dbraw/zinc/06/66/74/1099066674.db2.gz MUKRBOFNVDOFHE-GOSISDBHSA-N 1 2 345.443 2.096 20 30 EEEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)c1cc(C#N)c[nH]1 ZINC001496681996 1101280813 /nfs/dbraw/zinc/28/08/13/1101280813.db2.gz WAVSIOSYSOHNRG-UHFFFAOYSA-N 1 2 339.374 2.101 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)c1cc(C#N)c[nH]1 ZINC001496681996 1101280816 /nfs/dbraw/zinc/28/08/16/1101280816.db2.gz WAVSIOSYSOHNRG-UHFFFAOYSA-N 1 2 339.374 2.101 20 30 EEEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)[C@@H](C)C(F)(F)F)CC1 ZINC001494102163 1103520204 /nfs/dbraw/zinc/52/02/04/1103520204.db2.gz JZGCFFAVENISJG-GFCCVEGCSA-N 1 2 341.805 2.013 20 30 EEEDLO C#CCN(CC)c1nnc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC(=C)C ZINC001516033716 1118993877 /nfs/dbraw/zinc/99/38/77/1118993877.db2.gz QJPCZSDDIYTVTP-IRXDYDNUSA-N 1 2 343.475 2.240 20 30 EEEDLO C#CCN(CC)c1nnc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC(=C)C ZINC001516033716 1118993883 /nfs/dbraw/zinc/99/38/83/1118993883.db2.gz QJPCZSDDIYTVTP-IRXDYDNUSA-N 1 2 343.475 2.240 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(-c3c(F)cccc3F)no2)CC1 ZINC001519288665 1119076628 /nfs/dbraw/zinc/07/66/28/1119076628.db2.gz BNGLKHCOZHHXQZ-UHFFFAOYSA-N 1 2 345.349 2.401 20 30 EEEDLO COc1ccccc1NC(=O)[C@@H](C#N)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001524036950 1119966747 /nfs/dbraw/zinc/96/67/47/1119966747.db2.gz GIZQBBYCNGFGOW-DZGCQCFKSA-N 1 2 329.400 2.215 20 30 EEEDLO COc1ccccc1NC(=O)[C@@H](C#N)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001524036950 1119966754 /nfs/dbraw/zinc/96/67/54/1119966754.db2.gz GIZQBBYCNGFGOW-DZGCQCFKSA-N 1 2 329.400 2.215 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N3CC(=O)Nc4ccc(C#N)cc43)ccn12 ZINC001524672073 1120215509 /nfs/dbraw/zinc/21/55/09/1120215509.db2.gz PCWBAFKCORWUPF-UHFFFAOYSA-N 1 2 331.335 2.113 20 30 EEEDLO CCc1nnc(N(CCC#N)CC2CC2)n1Cc1c[nH+]ccc1OC ZINC001546440098 1121378746 /nfs/dbraw/zinc/37/87/46/1121378746.db2.gz DQVZRRMLTYAWFO-UHFFFAOYSA-N 1 2 340.431 2.422 20 30 EEEDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1CCc2cccnc21 ZINC000329333345 539771654 /nfs/dbraw/zinc/77/16/54/539771654.db2.gz XAASKPVGJFYBIJ-MRXNPFEDSA-N 1 2 338.411 2.500 20 30 EEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@H](C)[N@H+]1C ZINC000451613072 243176685 /nfs/dbraw/zinc/17/66/85/243176685.db2.gz XWPMZCDWAFQUQV-TXEJJXNPSA-N 1 2 341.864 2.119 20 30 EEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@H](C)[N@@H+]1C ZINC000451613072 243176689 /nfs/dbraw/zinc/17/66/89/243176689.db2.gz XWPMZCDWAFQUQV-TXEJJXNPSA-N 1 2 341.864 2.119 20 30 EEEDLO N#Cc1ncc(NC(=O)NCc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000455792315 244079592 /nfs/dbraw/zinc/07/95/92/244079592.db2.gz RAYYTTUQIJQJIB-UHFFFAOYSA-N 1 2 330.779 2.461 20 30 EEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(CC#N)cc3Cl)C[C@@H]21 ZINC000455724659 244067556 /nfs/dbraw/zinc/06/75/56/244067556.db2.gz CIBBUUFXDOPYGO-JKSUJKDBSA-N 1 2 348.834 2.343 20 30 EEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(CC#N)cc3Cl)C[C@@H]21 ZINC000455724659 244067558 /nfs/dbraw/zinc/06/75/58/244067558.db2.gz CIBBUUFXDOPYGO-JKSUJKDBSA-N 1 2 348.834 2.343 20 30 EEEDLO N#Cc1c(F)cccc1N1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000459281528 245059673 /nfs/dbraw/zinc/05/96/73/245059673.db2.gz OGDPUUNJKJRCME-UHFFFAOYSA-N 1 2 333.798 2.369 20 30 EEEDLO C=CCN1CC[C@H]([NH+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)C1=O ZINC000491355154 246002491 /nfs/dbraw/zinc/00/24/91/246002491.db2.gz OAKRHTCANUWCFA-KFWWJZLASA-N 1 2 337.464 2.103 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)c2c[nH]c3ncccc23)n1 ZINC000491495366 246049920 /nfs/dbraw/zinc/04/99/20/246049920.db2.gz IRRCLYWMPASKMX-AWEZNQCLSA-N 1 2 335.411 2.486 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)c2c[nH]c3ncccc23)n1 ZINC000491495366 246049927 /nfs/dbraw/zinc/04/99/27/246049927.db2.gz IRRCLYWMPASKMX-AWEZNQCLSA-N 1 2 335.411 2.486 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(-n3cccn3)cc2)n1 ZINC000491632856 246090308 /nfs/dbraw/zinc/09/03/08/246090308.db2.gz TUZVRHHOKJEKQK-UHFFFAOYSA-N 1 2 349.438 2.351 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(-n3cccn3)cc2)n1 ZINC000491632856 246090313 /nfs/dbraw/zinc/09/03/13/246090313.db2.gz TUZVRHHOKJEKQK-UHFFFAOYSA-N 1 2 349.438 2.351 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000491777748 246146369 /nfs/dbraw/zinc/14/63/69/246146369.db2.gz HSEJUHCSIVBYFW-LLVKDONJSA-N 1 2 331.372 2.216 20 30 EEEDLO C#C[C@@H](C)[N@H+](C)Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000491777748 246146378 /nfs/dbraw/zinc/14/63/78/246146378.db2.gz HSEJUHCSIVBYFW-LLVKDONJSA-N 1 2 331.372 2.216 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000496233862 247395802 /nfs/dbraw/zinc/39/58/02/247395802.db2.gz OANUKRCHXYJDDK-LBPRGKRZSA-N 1 2 349.435 2.348 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000266531509 248348737 /nfs/dbraw/zinc/34/87/37/248348737.db2.gz FVEVYOULPWEQHL-VXGBXAGGSA-N 1 2 330.388 2.087 20 30 EEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1CO ZINC000108361173 533154498 /nfs/dbraw/zinc/15/44/98/533154498.db2.gz DGHMJKTYGVUYTK-UONOGXRCSA-N 1 2 333.457 2.334 20 30 EEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1CO ZINC000108361173 533154504 /nfs/dbraw/zinc/15/45/04/533154504.db2.gz DGHMJKTYGVUYTK-UONOGXRCSA-N 1 2 333.457 2.334 20 30 EEEDLO COc1ccc([C@H](CNc2ccc(C#N)nc2)[NH+]2CCOCC2)cc1 ZINC000267325553 256049514 /nfs/dbraw/zinc/04/95/14/256049514.db2.gz AYXQOMMYKHOPHR-IBGZPJMESA-N 1 2 338.411 2.447 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC[C@H]3CCOC3)CC2)cc1 ZINC000267539805 256066988 /nfs/dbraw/zinc/06/69/88/256066988.db2.gz AUSGMWPNEALNGW-SFHVURJKSA-N 1 2 327.428 2.019 20 30 EEEDLO CCOC(=O)[C@@H](CC(C)C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000272871246 256245384 /nfs/dbraw/zinc/24/53/84/256245384.db2.gz ZTRPZUNAMHGQFC-MRXNPFEDSA-N 1 2 330.432 2.053 20 30 EEEDLO CC(=O)c1ccc(C#N)c(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000273180199 256273719 /nfs/dbraw/zinc/27/37/19/256273719.db2.gz HAEGUMYLJDGEEO-IBGZPJMESA-N 1 2 328.460 2.445 20 30 EEEDLO COCCC(C)(C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000273498531 256301914 /nfs/dbraw/zinc/30/19/14/256301914.db2.gz NRNNVVQNCOEWPS-UHFFFAOYSA-N 1 2 329.444 2.265 20 30 EEEDLO C[C@@H]([NH2+][C@H](C)c1nncn1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000274086096 256352784 /nfs/dbraw/zinc/35/27/84/256352784.db2.gz SSRWALVIYTYQFG-NXEZZACHSA-N 1 2 332.795 2.018 20 30 EEEDLO CSCC[C@@](C)(C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000344684793 533627078 /nfs/dbraw/zinc/62/70/78/533627078.db2.gz VQVNSHLUHQKFQK-WMZOPIPTSA-N 1 2 347.484 2.039 20 30 EEEDLO CSCC[C@@](C)(C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000344684793 533627084 /nfs/dbraw/zinc/62/70/84/533627084.db2.gz VQVNSHLUHQKFQK-WMZOPIPTSA-N 1 2 347.484 2.039 20 30 EEEDLO CSCC[C@](C)(C#N)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000344687858 533669321 /nfs/dbraw/zinc/66/93/21/533669321.db2.gz XXTJNAWILRDUFA-CKEIUWERSA-N 1 2 332.473 2.305 20 30 EEEDLO CC(C)CCNC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554468 159252961 /nfs/dbraw/zinc/25/29/61/159252961.db2.gz RCYGKJUHWQGJRR-INIZCTEOSA-N 1 2 328.460 2.231 20 30 EEEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCCn1cc[nH+]c1 ZINC000342382342 161061354 /nfs/dbraw/zinc/06/13/54/161061354.db2.gz BXHJDGLDMIZTIG-KRWDZBQOSA-N 1 2 326.400 2.365 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(OC(F)F)c1 ZINC000346672415 161390621 /nfs/dbraw/zinc/39/06/21/161390621.db2.gz ULEVJKZTYHCCOV-LNSITVRQSA-N 1 2 335.354 2.245 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(OC(F)F)c1 ZINC000346672415 161390622 /nfs/dbraw/zinc/39/06/22/161390622.db2.gz ULEVJKZTYHCCOV-LNSITVRQSA-N 1 2 335.354 2.245 20 30 EEEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000332573054 270019010 /nfs/dbraw/zinc/01/90/10/270019010.db2.gz DXUHDMPWXZVWKS-OWCLPIDISA-N 1 2 341.415 2.011 20 30 EEEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000332573054 270019011 /nfs/dbraw/zinc/01/90/11/270019011.db2.gz DXUHDMPWXZVWKS-OWCLPIDISA-N 1 2 341.415 2.011 20 30 EEEDLO N#Cc1ccc(OC2C[NH+](C[C@H](O)Cc3ccc(F)cc3)C2)cc1 ZINC000453022244 270020853 /nfs/dbraw/zinc/02/08/53/270020853.db2.gz XKVPCHKYUOMLEY-QGZVFWFLSA-N 1 2 326.371 2.364 20 30 EEEDLO N#Cc1cccc(CNC(=O)C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000518027997 270021801 /nfs/dbraw/zinc/02/18/01/270021801.db2.gz TXCHTEAGQOKZTL-UHFFFAOYSA-N 1 2 347.418 2.427 20 30 EEEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000518027997 270021802 /nfs/dbraw/zinc/02/18/02/270021802.db2.gz TXCHTEAGQOKZTL-UHFFFAOYSA-N 1 2 347.418 2.427 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(C#N)ccc1Cl ZINC000287261388 267091339 /nfs/dbraw/zinc/09/13/39/267091339.db2.gz KDJVXJUGHUQNOB-OCCSQVGLSA-N 1 2 333.819 2.147 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295075606 267140793 /nfs/dbraw/zinc/14/07/93/267140793.db2.gz ATCFYISTSPTGCS-HIFRSBDPSA-N 1 2 344.415 2.048 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295075606 267140794 /nfs/dbraw/zinc/14/07/94/267140794.db2.gz ATCFYISTSPTGCS-HIFRSBDPSA-N 1 2 344.415 2.048 20 30 EEEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000451924519 267257850 /nfs/dbraw/zinc/25/78/50/267257850.db2.gz DCVJAQBZNOMPOW-SNVBAGLBSA-N 1 2 338.820 2.468 20 30 EEEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000451933084 267259822 /nfs/dbraw/zinc/25/98/22/267259822.db2.gz ULDSSHTXKNVEKR-JTQLQIEISA-N 1 2 338.820 2.468 20 30 EEEDLO Cc1nc(CN2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)no1 ZINC000439454825 268076999 /nfs/dbraw/zinc/07/69/99/268076999.db2.gz SLXJDYQKDSJVSL-UHFFFAOYSA-N 1 2 331.807 2.221 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000292200202 268187961 /nfs/dbraw/zinc/18/79/61/268187961.db2.gz SEBDMQQZPNPSKE-KRWDZBQOSA-N 1 2 348.468 2.080 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000292200202 268187963 /nfs/dbraw/zinc/18/79/63/268187963.db2.gz SEBDMQQZPNPSKE-KRWDZBQOSA-N 1 2 348.468 2.080 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)s1 ZINC000435435222 268258193 /nfs/dbraw/zinc/25/81/93/268258193.db2.gz XJGIAPXIWNGXJH-UHFFFAOYSA-N 1 2 344.421 2.488 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c(O)cccc3F)CC2)cc1 ZINC000274587892 269039657 /nfs/dbraw/zinc/03/96/57/269039657.db2.gz GZKBDQBMTTZDKG-UHFFFAOYSA-N 1 2 339.370 2.361 20 30 EEEDLO CCOC(=O)C[N@@H+]1CCCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000301543271 269662947 /nfs/dbraw/zinc/66/29/47/269662947.db2.gz CVJQXXHMMTZSRZ-UHFFFAOYSA-N 1 2 338.411 2.182 20 30 EEEDLO CCOC(=O)C[N@H+]1CCCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000301543271 269662948 /nfs/dbraw/zinc/66/29/48/269662948.db2.gz CVJQXXHMMTZSRZ-UHFFFAOYSA-N 1 2 338.411 2.182 20 30 EEEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000247783187 277756071 /nfs/dbraw/zinc/75/60/71/277756071.db2.gz XYHFXEFKNNWYCR-IUODEOHRSA-N 1 2 348.403 2.166 20 30 EEEDLO CN(C)[C@@H](C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1c[nH+]cn1C ZINC000557079661 318668116 /nfs/dbraw/zinc/66/81/16/318668116.db2.gz ANSHGBZWPANAQZ-SJLPKXTDSA-N 1 2 337.427 2.088 20 30 EEEDLO Cc1cc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)c(C#N)cc1N(C)C ZINC000572585670 319858622 /nfs/dbraw/zinc/85/86/22/319858622.db2.gz DUNNBUZGXIKRFH-AWEZNQCLSA-N 1 2 338.415 2.266 20 30 EEEDLO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)c2[nH+]ccn21 ZINC000581707879 324305948 /nfs/dbraw/zinc/30/59/48/324305948.db2.gz FXSJKDSILIZIJT-JOYOIKCWSA-N 1 2 336.804 2.392 20 30 EEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000328617306 465074007 /nfs/dbraw/zinc/07/40/07/465074007.db2.gz UBFQWGBVTNDWJQ-QJPTWQEYSA-N 1 2 346.353 2.062 20 30 EEEDLO Cc1c[nH+]c(CNc2ccn(-c3ccc(Cl)cc3C#N)n2)n1C ZINC000341269179 465083857 /nfs/dbraw/zinc/08/38/57/465083857.db2.gz ADNJAWCXXVGYEE-UHFFFAOYSA-N 1 2 326.791 3.051 20 30 EEEDLO CC[C@@H](C(=O)N(CCC#N)Cc1cccnc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339254547 465169975 /nfs/dbraw/zinc/16/99/75/465169975.db2.gz WPRXKYRKJHLAQG-ROUUACIJSA-N 1 2 344.459 2.213 20 30 EEEDLO CC[C@@H](C(=O)N(CCC#N)Cc1cccnc1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339254547 465169981 /nfs/dbraw/zinc/16/99/81/465169981.db2.gz WPRXKYRKJHLAQG-ROUUACIJSA-N 1 2 344.459 2.213 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329018200 465204275 /nfs/dbraw/zinc/20/42/75/465204275.db2.gz HAOIUTJIFCPDAA-IJEWVQPXSA-N 1 2 343.427 2.162 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329018200 465204280 /nfs/dbraw/zinc/20/42/80/465204280.db2.gz HAOIUTJIFCPDAA-IJEWVQPXSA-N 1 2 343.427 2.162 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000329018197 465204386 /nfs/dbraw/zinc/20/43/86/465204386.db2.gz HAOIUTJIFCPDAA-IIAWOOMASA-N 1 2 343.427 2.162 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000329018197 465204388 /nfs/dbraw/zinc/20/43/88/465204388.db2.gz HAOIUTJIFCPDAA-IIAWOOMASA-N 1 2 343.427 2.162 20 30 EEEDLO CC1(C)C[S@](=O)CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000329156082 465250333 /nfs/dbraw/zinc/25/03/33/465250333.db2.gz BWZIHOGXZQVLLC-OAQYLSRUSA-N 1 2 325.459 2.441 20 30 EEEDLO CC1(C)C[S@](=O)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000329156082 465250336 /nfs/dbraw/zinc/25/03/36/465250336.db2.gz BWZIHOGXZQVLLC-OAQYLSRUSA-N 1 2 325.459 2.441 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(Oc3ccccc3)nn2)C1=O ZINC000337226712 465253970 /nfs/dbraw/zinc/25/39/70/465253970.db2.gz PNYLKYIPTDPBAD-QGZVFWFLSA-N 1 2 338.411 2.488 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Oc3ccccc3)nn2)C1=O ZINC000337226712 465253976 /nfs/dbraw/zinc/25/39/76/465253976.db2.gz PNYLKYIPTDPBAD-QGZVFWFLSA-N 1 2 338.411 2.488 20 30 EEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1scnc1C1CC1 ZINC000329229795 465275265 /nfs/dbraw/zinc/27/52/65/465275265.db2.gz CXTAMNAGWHHFSZ-DGCLKSJQSA-N 1 2 336.461 2.361 20 30 EEEDLO COc1ccc([C@H](CO)[N@H+](C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000112995989 462561107 /nfs/dbraw/zinc/56/11/07/462561107.db2.gz GSQQCLYUKSASBW-SFHVURJKSA-N 1 2 339.395 2.171 20 30 EEEDLO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000112995989 462561113 /nfs/dbraw/zinc/56/11/13/462561113.db2.gz GSQQCLYUKSASBW-SFHVURJKSA-N 1 2 339.395 2.171 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000112997956 462562772 /nfs/dbraw/zinc/56/27/72/462562772.db2.gz IJOIHUKWDRHISO-MJBXVCDLSA-N 1 2 325.453 2.007 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000112997956 462562775 /nfs/dbraw/zinc/56/27/75/462562775.db2.gz IJOIHUKWDRHISO-MJBXVCDLSA-N 1 2 325.453 2.007 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H](O)C1 ZINC000114486142 462653701 /nfs/dbraw/zinc/65/37/01/462653701.db2.gz BDQAYHIGNWGZIA-VXGBXAGGSA-N 1 2 333.457 2.282 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@H](O)C1 ZINC000114486142 462653706 /nfs/dbraw/zinc/65/37/06/462653706.db2.gz BDQAYHIGNWGZIA-VXGBXAGGSA-N 1 2 333.457 2.282 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC[C@@H]3CCCO3)CC2)cc1 ZINC000046148762 462653938 /nfs/dbraw/zinc/65/39/38/462653938.db2.gz ILLINZNMVIUQNN-SFHVURJKSA-N 1 2 327.428 2.162 20 30 EEEDLO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000153855853 462700653 /nfs/dbraw/zinc/70/06/53/462700653.db2.gz IRMPTNRZFPHYNV-HKUYNNGSSA-N 1 2 340.471 2.270 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)Nc2cc(Cl)c(OC)cc2OC)CC1 ZINC000075411826 462716005 /nfs/dbraw/zinc/71/60/05/462716005.db2.gz IJVQTWJOBWIUTP-UHFFFAOYSA-N 1 2 337.807 2.140 20 30 EEEDLO CC(C)NC(=O)C[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000129918809 462731371 /nfs/dbraw/zinc/73/13/71/462731371.db2.gz GBQLIGDKFBVSCD-UHFFFAOYSA-N 1 2 328.334 2.393 20 30 EEEDLO CC(C)NC(=O)C[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000129918809 462731375 /nfs/dbraw/zinc/73/13/75/462731375.db2.gz GBQLIGDKFBVSCD-UHFFFAOYSA-N 1 2 328.334 2.393 20 30 EEEDLO N#Cc1cccnc1N1CC[NH+](C[C@H](O)c2ccccc2Cl)CC1 ZINC000076191961 462820099 /nfs/dbraw/zinc/82/00/99/462820099.db2.gz BDFMWURECYNBNT-KRWDZBQOSA-N 1 2 342.830 2.462 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000091936503 462915421 /nfs/dbraw/zinc/91/54/21/462915421.db2.gz PHNSYAUKYCQWSJ-GFCCVEGCSA-N 1 2 329.354 2.337 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000091936503 462915425 /nfs/dbraw/zinc/91/54/25/462915425.db2.gz PHNSYAUKYCQWSJ-GFCCVEGCSA-N 1 2 329.354 2.337 20 30 EEEDLO C[C@H]1C[C@]1(C#N)C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000590758631 468330310 /nfs/dbraw/zinc/33/03/10/468330310.db2.gz VGWNDXCFQRZANR-PCODUJHASA-N 1 2 327.428 2.066 20 30 EEEDLO C[C@H]1C[C@]1(C#N)C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000590758631 468330312 /nfs/dbraw/zinc/33/03/12/468330312.db2.gz VGWNDXCFQRZANR-PCODUJHASA-N 1 2 327.428 2.066 20 30 EEEDLO C[C@H]1CCCC[C@@H]1NC(=O)CO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000067386183 462999090 /nfs/dbraw/zinc/99/90/90/462999090.db2.gz MQPJSMCJRAZOHZ-HZMBPMFUSA-N 1 2 325.359 2.297 20 30 EEEDLO C=CCc1cc(CNC(=O)NCCn2cc[nH+]c2)cc(OC)c1OC ZINC000051674930 463044022 /nfs/dbraw/zinc/04/40/22/463044022.db2.gz AIIQUALOUGHKDB-UHFFFAOYSA-N 1 2 344.415 2.128 20 30 EEEDLO N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000022096812 463045054 /nfs/dbraw/zinc/04/50/54/463045054.db2.gz GPGHVVUSKOBOFS-UHFFFAOYSA-N 1 2 339.355 2.310 20 30 EEEDLO CCOC(=O)[C@@H]1CSCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000521832806 468333593 /nfs/dbraw/zinc/33/35/93/468333593.db2.gz UAKXXIGIWLXNHR-AWEZNQCLSA-N 1 2 326.462 2.067 20 30 EEEDLO CCOC(=O)[C@@H]1CSCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000521832806 468333596 /nfs/dbraw/zinc/33/35/96/468333596.db2.gz UAKXXIGIWLXNHR-AWEZNQCLSA-N 1 2 326.462 2.067 20 30 EEEDLO N#CCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000078122950 463085287 /nfs/dbraw/zinc/08/52/87/463085287.db2.gz AQNPFTPPQYAVTF-SFHVURJKSA-N 1 2 327.428 2.182 20 30 EEEDLO N#CCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000078122950 463085289 /nfs/dbraw/zinc/08/52/89/463085289.db2.gz AQNPFTPPQYAVTF-SFHVURJKSA-N 1 2 327.428 2.182 20 30 EEEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000068429106 463135884 /nfs/dbraw/zinc/13/58/84/463135884.db2.gz VVBIXSZRQTYMKG-ZDUSSCGKSA-N 1 2 334.851 2.248 20 30 EEEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000536012091 468339942 /nfs/dbraw/zinc/33/99/42/468339942.db2.gz FBBXEAWHWXGRJU-UHFFFAOYSA-N 1 2 329.385 2.245 20 30 EEEDLO COc1ccccc1N1C(=O)C[C@H]([N@H+](C)Cc2cccc(C#N)c2)C1=O ZINC000027051739 463180074 /nfs/dbraw/zinc/18/00/74/463180074.db2.gz QKYQZVXVALQIAO-KRWDZBQOSA-N 1 2 349.390 2.331 20 30 EEEDLO COc1ccccc1N1C(=O)C[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1=O ZINC000027051739 463180078 /nfs/dbraw/zinc/18/00/78/463180078.db2.gz QKYQZVXVALQIAO-KRWDZBQOSA-N 1 2 349.390 2.331 20 30 EEEDLO NC(=O)N1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000158086875 463203204 /nfs/dbraw/zinc/20/32/04/463203204.db2.gz JOWMMQUMKRWZFM-UHFFFAOYSA-N 1 2 341.333 2.023 20 30 EEEDLO NC(=O)N1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000158086875 463203207 /nfs/dbraw/zinc/20/32/07/463203207.db2.gz JOWMMQUMKRWZFM-UHFFFAOYSA-N 1 2 341.333 2.023 20 30 EEEDLO N#Cc1ccc(OC2C[NH+](C[C@@H](O)COc3ccc(F)cc3)C2)cc1 ZINC000158568209 463241545 /nfs/dbraw/zinc/24/15/45/463241545.db2.gz VGLACWMMCSPBFK-MRXNPFEDSA-N 1 2 342.370 2.200 20 30 EEEDLO CSc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000080166883 463290383 /nfs/dbraw/zinc/29/03/83/463290383.db2.gz RITLHAKOHVNPIH-UHFFFAOYSA-N 1 2 348.472 2.488 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(n3cncn3)CC2)c1C ZINC000069815363 463331591 /nfs/dbraw/zinc/33/15/91/463331591.db2.gz JFJXFKRDVHMPRU-UHFFFAOYSA-N 1 2 327.432 2.402 20 30 EEEDLO Cc1cccc(N2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000140047370 463336304 /nfs/dbraw/zinc/33/63/04/463336304.db2.gz JRZZPBFTRYCBEF-UHFFFAOYSA-N 1 2 340.471 2.460 20 30 EEEDLO C#C[C@@H](NC(=O)NCCc1cn(C)c[nH+]1)c1ccc(Cl)cc1F ZINC000491339172 468353575 /nfs/dbraw/zinc/35/35/75/468353575.db2.gz OBFPPPZMWLRVAP-OAHLLOKOSA-N 1 2 334.782 2.429 20 30 EEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)C1 ZINC000070793418 463385835 /nfs/dbraw/zinc/38/58/35/463385835.db2.gz AKSGJUCMGPYBKU-IAGOWNOFSA-N 1 2 340.471 2.185 20 30 EEEDLO CC(C)NC(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000058499329 463604155 /nfs/dbraw/zinc/60/41/55/463604155.db2.gz XBOZYTMFVAPYQC-UHFFFAOYSA-N 1 2 341.411 2.427 20 30 EEEDLO Cc1cccc(N2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)c1C ZINC000058889509 463630131 /nfs/dbraw/zinc/63/01/31/463630131.db2.gz ALYCDRPWTHLUFT-FQEVSTJZSA-N 1 2 340.471 2.234 20 30 EEEDLO C=CCCS(=O)(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000177532123 463729338 /nfs/dbraw/zinc/72/93/38/463729338.db2.gz BWEIRIIMTPGHDD-UHFFFAOYSA-N 1 2 338.473 2.109 20 30 EEEDLO C#CC[N@@H+](C)CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000276743601 463740673 /nfs/dbraw/zinc/74/06/73/463740673.db2.gz AOHJZYBHMVMJQK-UHFFFAOYSA-N 1 2 345.424 2.331 20 30 EEEDLO C#CC[N@H+](C)CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000276743601 463740676 /nfs/dbraw/zinc/74/06/76/463740676.db2.gz AOHJZYBHMVMJQK-UHFFFAOYSA-N 1 2 345.424 2.331 20 30 EEEDLO C#CCOc1cccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000287045225 463781699 /nfs/dbraw/zinc/78/16/99/463781699.db2.gz PSNFAIAMZUOUIO-NVXWUHKLSA-N 1 2 343.427 2.026 20 30 EEEDLO N#Cc1ccc(N2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)c(F)c1 ZINC000171170616 463803405 /nfs/dbraw/zinc/80/34/05/463803405.db2.gz SBMQXNNCHGGWCM-UHFFFAOYSA-N 1 2 349.369 2.307 20 30 EEEDLO CCN(C(=O)[C@H](C)[NH+]1CCN(C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000185433083 463821703 /nfs/dbraw/zinc/82/17/03/463821703.db2.gz MLFKRUBZMXWNEQ-HOTGVXAUSA-N 1 2 328.460 2.104 20 30 EEEDLO CC#CCCCC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000185530596 463839117 /nfs/dbraw/zinc/83/91/17/463839117.db2.gz FDDNOEWQGJNDPT-LJQANCHMSA-N 1 2 328.456 2.240 20 30 EEEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2c(F)cc(C#N)cc2F)C[C@H](C)O1 ZINC000194763201 463925129 /nfs/dbraw/zinc/92/51/29/463925129.db2.gz RLSQCJIJIHNWEA-TXEJJXNPSA-N 1 2 337.370 2.018 20 30 EEEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2c(F)cc(C#N)cc2F)C[C@H](C)O1 ZINC000194763201 463925134 /nfs/dbraw/zinc/92/51/34/463925134.db2.gz RLSQCJIJIHNWEA-TXEJJXNPSA-N 1 2 337.370 2.018 20 30 EEEDLO COC(=O)c1cccc(OCC(N)=[NH+]OCCCC(C)(C)C#N)c1 ZINC000269370392 463968350 /nfs/dbraw/zinc/96/83/50/463968350.db2.gz YLPCCQDCVAWPET-UHFFFAOYSA-N 1 2 333.388 2.471 20 30 EEEDLO C=CCOc1ccccc1C[NH2+]Cc1cn(C)nc1C(=O)OCC ZINC000186353473 463981728 /nfs/dbraw/zinc/98/17/28/463981728.db2.gz SXWWADVTLWBSQO-UHFFFAOYSA-N 1 2 329.400 2.451 20 30 EEEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000186497744 464012502 /nfs/dbraw/zinc/01/25/02/464012502.db2.gz PRNKWXPXSPJJKM-CQSZACIVSA-N 1 2 348.878 2.244 20 30 EEEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972463 468388229 /nfs/dbraw/zinc/38/82/29/468388229.db2.gz WUBVQZDMDHRXIW-HIFRSBDPSA-N 1 2 331.441 2.352 20 30 EEEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972463 468388230 /nfs/dbraw/zinc/38/82/30/468388230.db2.gz WUBVQZDMDHRXIW-HIFRSBDPSA-N 1 2 331.441 2.352 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)nc1 ZINC000289398100 464077069 /nfs/dbraw/zinc/07/70/69/464077069.db2.gz FJDYCETYCWRZTE-UHFFFAOYSA-N 1 2 329.429 2.049 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)[C@H](C(N)=O)C1 ZINC000187418963 464128043 /nfs/dbraw/zinc/12/80/43/464128043.db2.gz INMKILLRFMBSPX-HZMBPMFUSA-N 1 2 336.233 2.407 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)[C@H](C(N)=O)C1 ZINC000187418963 464128048 /nfs/dbraw/zinc/12/80/48/464128048.db2.gz INMKILLRFMBSPX-HZMBPMFUSA-N 1 2 336.233 2.407 20 30 EEEDLO C=CCOc1ccccc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000291056737 464142502 /nfs/dbraw/zinc/14/25/02/464142502.db2.gz XRQVJCYYDCMTAQ-NVXWUHKLSA-N 1 2 330.428 2.187 20 30 EEEDLO CN(Cc1[nH+]ccn1C)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000270021421 464161959 /nfs/dbraw/zinc/16/19/59/464161959.db2.gz AVAVGJNXWZWHTB-UHFFFAOYSA-N 1 2 339.399 2.059 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](Cc2ccccn2)CC1 ZINC000280272176 464197143 /nfs/dbraw/zinc/19/71/43/464197143.db2.gz OYHPDPCDQNARBK-INIZCTEOSA-N 1 2 349.438 2.098 20 30 EEEDLO N#Cc1ccc2c(c1)N(C(=O)[C@H]1C[N@H+](Cc3ccccc3)CCO1)CC2 ZINC000270172173 464207853 /nfs/dbraw/zinc/20/78/53/464207853.db2.gz FCQAPBDGKDBRNZ-HXUWFJFHSA-N 1 2 347.418 2.348 20 30 EEEDLO N#Cc1ccc2c(c1)N(C(=O)[C@H]1C[N@@H+](Cc3ccccc3)CCO1)CC2 ZINC000270172173 464207858 /nfs/dbraw/zinc/20/78/58/464207858.db2.gz FCQAPBDGKDBRNZ-HXUWFJFHSA-N 1 2 347.418 2.348 20 30 EEEDLO C#CC[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000270458049 464256396 /nfs/dbraw/zinc/25/63/96/464256396.db2.gz TWVYFGRBSXTYKA-JZXOWHBKSA-N 1 2 329.444 2.159 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000180582783 464342625 /nfs/dbraw/zinc/34/26/25/464342625.db2.gz UVAIKUKYFOLVKL-NVXWUHKLSA-N 1 2 341.521 2.238 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N(C2CC2)C2CCCC2)cs1 ZINC000174120968 464363758 /nfs/dbraw/zinc/36/37/58/464363758.db2.gz UTYHIWPUORBILP-UHFFFAOYSA-N 1 2 336.461 2.216 20 30 EEEDLO C#CCC[NH+]1CCN(Cc2cc(=O)oc3cc(O)c(Cl)cc23)CC1 ZINC000284851827 464366890 /nfs/dbraw/zinc/36/68/90/464366890.db2.gz CSUSTDPTWRLAAZ-UHFFFAOYSA-N 1 2 346.814 2.293 20 30 EEEDLO C=CCN1CC[C@H]([NH+]2CCC(O)(c3c(F)cccc3F)CC2)C1=O ZINC000281199726 464368121 /nfs/dbraw/zinc/36/81/21/464368121.db2.gz CHUDTCAMYHGXSA-HNNXBMFYSA-N 1 2 336.382 2.035 20 30 EEEDLO C=CCN1CC[C@@H]([NH2+][C@H](C)c2nc(-c3cccc(OC)c3)no2)C1=O ZINC000281305184 464408343 /nfs/dbraw/zinc/40/83/43/464408343.db2.gz UGTCIDWTODOXJC-IUODEOHRSA-N 1 2 342.399 2.183 20 30 EEEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ccc4ccccc4n3)CC2)C1=O ZINC000282130639 464708467 /nfs/dbraw/zinc/70/84/67/464708467.db2.gz YSMHURGPHYSJMX-SFHVURJKSA-N 1 2 336.439 2.144 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O)c1 ZINC000248482420 464758419 /nfs/dbraw/zinc/75/84/19/464758419.db2.gz IWHDNUBBNNZPCO-VOIUYBSRSA-N 1 2 349.500 2.249 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O)c1 ZINC000248482420 464758424 /nfs/dbraw/zinc/75/84/24/464758424.db2.gz IWHDNUBBNNZPCO-VOIUYBSRSA-N 1 2 349.500 2.249 20 30 EEEDLO C=CCn1c(C)nnc1N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000282316904 464774976 /nfs/dbraw/zinc/77/49/76/464774976.db2.gz PYEDAFKUNNNCHJ-UHFFFAOYSA-N 1 2 343.479 2.046 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000191618524 464823900 /nfs/dbraw/zinc/82/39/00/464823900.db2.gz CUKJAYKWDJHPPM-GJZGRUSLSA-N 1 2 332.423 2.097 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000191618524 464823906 /nfs/dbraw/zinc/82/39/06/464823906.db2.gz CUKJAYKWDJHPPM-GJZGRUSLSA-N 1 2 332.423 2.097 20 30 EEEDLO C#CC[N@@H+](CN1C[C@@](C)(COC)CC1=O)[C@@H]1CCc2ccccc21 ZINC000177135944 464938948 /nfs/dbraw/zinc/93/89/48/464938948.db2.gz QOXLJOFRDWFZLS-QUCCMNQESA-N 1 2 326.440 2.452 20 30 EEEDLO C#CC[N@H+](CN1C[C@@](C)(COC)CC1=O)[C@@H]1CCc2ccccc21 ZINC000177135944 464938956 /nfs/dbraw/zinc/93/89/56/464938956.db2.gz QOXLJOFRDWFZLS-QUCCMNQESA-N 1 2 326.440 2.452 20 30 EEEDLO CC(C)COC[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccco1 ZINC000184177854 464952795 /nfs/dbraw/zinc/95/27/95/464952795.db2.gz QGXVLMPRXCZKNZ-QAPCUYQASA-N 1 2 333.432 2.391 20 30 EEEDLO Cc1nc2sccn2c1C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000268238606 464987245 /nfs/dbraw/zinc/98/72/45/464987245.db2.gz MPBHIEGWOCVJHZ-INIZCTEOSA-N 1 2 333.461 2.191 20 30 EEEDLO Cc1nc2sccn2c1C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000268238606 464987251 /nfs/dbraw/zinc/98/72/51/464987251.db2.gz MPBHIEGWOCVJHZ-INIZCTEOSA-N 1 2 333.461 2.191 20 30 EEEDLO COc1nc(C)cc(C)c1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000286756122 465021280 /nfs/dbraw/zinc/02/12/80/465021280.db2.gz GQEDIEVCULRDDA-UHFFFAOYSA-N 1 2 337.427 2.296 20 30 EEEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3c(C)nn(C)c3C)C2)[nH]1 ZINC000329441840 465335457 /nfs/dbraw/zinc/33/54/57/465335457.db2.gz LBXMZODNVKSBRP-TZMCWYRMSA-N 1 2 345.451 2.320 20 30 EEEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3c(C)nn(C)c3C)C2)[nH]1 ZINC000329441840 465335460 /nfs/dbraw/zinc/33/54/60/465335460.db2.gz LBXMZODNVKSBRP-TZMCWYRMSA-N 1 2 345.451 2.320 20 30 EEEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3c(C)nn(C)c3C)C2)n1 ZINC000329441840 465335466 /nfs/dbraw/zinc/33/54/66/465335466.db2.gz LBXMZODNVKSBRP-TZMCWYRMSA-N 1 2 345.451 2.320 20 30 EEEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3c(C)nn(C)c3C)C2)n1 ZINC000329441840 465335471 /nfs/dbraw/zinc/33/54/71/465335471.db2.gz LBXMZODNVKSBRP-TZMCWYRMSA-N 1 2 345.451 2.320 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000337484611 465393405 /nfs/dbraw/zinc/39/34/05/465393405.db2.gz XVEDXWBVPSRNEB-CXAGYDPISA-N 1 2 332.404 2.470 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000337484611 465393412 /nfs/dbraw/zinc/39/34/12/465393412.db2.gz XVEDXWBVPSRNEB-CXAGYDPISA-N 1 2 332.404 2.470 20 30 EEEDLO CN1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1=O ZINC000329636215 465394775 /nfs/dbraw/zinc/39/47/75/465394775.db2.gz UYBNCGNOZDIJRT-UHFFFAOYSA-N 1 2 339.399 2.163 20 30 EEEDLO CC[C@@H]1OCCC[C@@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000329897806 465467318 /nfs/dbraw/zinc/46/73/18/465467318.db2.gz LQDYGTNJNMONEF-YQQAZPJKSA-N 1 2 342.505 2.356 20 30 EEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CCCO1 ZINC000329918838 465473819 /nfs/dbraw/zinc/47/38/19/465473819.db2.gz CXTYEJNOVWYDPJ-KCQAQPDRSA-N 1 2 325.384 2.339 20 30 EEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CCCO1 ZINC000329918838 465473824 /nfs/dbraw/zinc/47/38/24/465473824.db2.gz CXTYEJNOVWYDPJ-KCQAQPDRSA-N 1 2 325.384 2.339 20 30 EEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CCOC1 ZINC000329932560 465477707 /nfs/dbraw/zinc/47/77/07/465477707.db2.gz BPIJTKHCZOCCCO-IHRRRGAJSA-N 1 2 325.384 2.197 20 30 EEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CCOC1 ZINC000329932560 465477711 /nfs/dbraw/zinc/47/77/11/465477711.db2.gz BPIJTKHCZOCCCO-IHRRRGAJSA-N 1 2 325.384 2.197 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000339754999 465491473 /nfs/dbraw/zinc/49/14/73/465491473.db2.gz CBCANLVYDARMOE-UHFFFAOYSA-N 1 2 328.334 2.156 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000339754999 465491478 /nfs/dbraw/zinc/49/14/78/465491478.db2.gz CBCANLVYDARMOE-UHFFFAOYSA-N 1 2 328.334 2.156 20 30 EEEDLO N#Cc1ccc(O[C@H]2CCN(c3cc(NCC4CC4)[nH+]cn3)C2)nc1 ZINC000366186115 465583417 /nfs/dbraw/zinc/58/34/17/465583417.db2.gz NWUHUBVASXLGPU-HNNXBMFYSA-N 1 2 336.399 2.223 20 30 EEEDLO N#Cc1ccc(O[C@H]2CCN(c3cc(NCC4CC4)nc[nH+]3)C2)nc1 ZINC000366186115 465583428 /nfs/dbraw/zinc/58/34/28/465583428.db2.gz NWUHUBVASXLGPU-HNNXBMFYSA-N 1 2 336.399 2.223 20 30 EEEDLO CCOc1cc(C[N@H+](C)C[C@@H](C)C#N)nc2nc(C(F)(F)F)nn21 ZINC000362231267 465591692 /nfs/dbraw/zinc/59/16/92/465591692.db2.gz ZWRLYJMCQCPMOH-VIFPVBQESA-N 1 2 342.325 2.133 20 30 EEEDLO CCOc1cc(C[N@@H+](C)C[C@@H](C)C#N)nc2nc(C(F)(F)F)nn21 ZINC000362231267 465591699 /nfs/dbraw/zinc/59/16/99/465591699.db2.gz ZWRLYJMCQCPMOH-VIFPVBQESA-N 1 2 342.325 2.133 20 30 EEEDLO N#Cc1nc(NCc2ccc(N3CCOCC3)[nH+]c2)ccc1Cl ZINC000299671859 465850058 /nfs/dbraw/zinc/85/00/58/465850058.db2.gz SHTVMAZVOGGCPN-UHFFFAOYSA-N 1 2 329.791 2.450 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccn(C2CCCC2)n1 ZINC000357261213 465896020 /nfs/dbraw/zinc/89/60/20/465896020.db2.gz FFSNEXMKMNUDIU-UHFFFAOYSA-N 1 2 331.464 2.046 20 30 EEEDLO C=CCN(CC1CCCCC1)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000361559677 466098725 /nfs/dbraw/zinc/09/87/25/466098725.db2.gz VGNMMAYXNVYXTE-UHFFFAOYSA-N 1 2 344.521 2.107 20 30 EEEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(CNc3ccc(C#N)cc3)n2)C1 ZINC000349837785 466263360 /nfs/dbraw/zinc/26/33/60/466263360.db2.gz ILNNZLKOQKIFEU-HNNXBMFYSA-N 1 2 327.388 2.335 20 30 EEEDLO CC(C)[N@H+]1CCO[C@H](c2noc(CNc3ccc(C#N)cc3)n2)C1 ZINC000349837785 466263370 /nfs/dbraw/zinc/26/33/70/466263370.db2.gz ILNNZLKOQKIFEU-HNNXBMFYSA-N 1 2 327.388 2.335 20 30 EEEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000363289760 466328125 /nfs/dbraw/zinc/32/81/25/466328125.db2.gz XQUDVZXXNFLEMP-IAGOWNOFSA-N 1 2 333.395 2.294 20 30 EEEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000363289760 466328131 /nfs/dbraw/zinc/32/81/31/466328131.db2.gz XQUDVZXXNFLEMP-IAGOWNOFSA-N 1 2 333.395 2.294 20 30 EEEDLO Cc1ccn2c(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)cnc2c1 ZINC000350015388 466352925 /nfs/dbraw/zinc/35/29/25/466352925.db2.gz XZRPJMMDVHIAIQ-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000332192900 466439784 /nfs/dbraw/zinc/43/97/84/466439784.db2.gz YBXFENXMSKEWGP-HOTGVXAUSA-N 1 2 327.432 2.304 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000305756783 466450624 /nfs/dbraw/zinc/45/06/24/466450624.db2.gz BEZYJMFZRXGIES-PRHODGIISA-N 1 2 349.740 2.394 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000305756783 466450628 /nfs/dbraw/zinc/45/06/28/466450628.db2.gz BEZYJMFZRXGIES-PRHODGIISA-N 1 2 349.740 2.394 20 30 EEEDLO N#Cc1ccc(F)c(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000372646316 466523567 /nfs/dbraw/zinc/52/35/67/466523567.db2.gz ZRSARBUZBLFXGW-UHFFFAOYSA-N 1 2 341.390 2.272 20 30 EEEDLO CCS(=O)(=O)N1CC[N@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000347281357 466532300 /nfs/dbraw/zinc/53/23/00/466532300.db2.gz AFYADZULMYSCKA-HNNXBMFYSA-N 1 2 349.500 2.344 20 30 EEEDLO CCS(=O)(=O)N1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000347281357 466532305 /nfs/dbraw/zinc/53/23/05/466532305.db2.gz AFYADZULMYSCKA-HNNXBMFYSA-N 1 2 349.500 2.344 20 30 EEEDLO C=CCCCN(C)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000354447574 466574835 /nfs/dbraw/zinc/57/48/35/466574835.db2.gz GTRSQBHOVDJUAD-KRWDZBQOSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCCCN(C)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000354447574 466574842 /nfs/dbraw/zinc/57/48/42/466574842.db2.gz GTRSQBHOVDJUAD-KRWDZBQOSA-N 1 2 346.475 2.442 20 30 EEEDLO N#CC1(CS(=O)(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000333452477 466621185 /nfs/dbraw/zinc/62/11/85/466621185.db2.gz OAPWXLDYVAEFKU-UHFFFAOYSA-N 1 2 348.472 2.032 20 30 EEEDLO Cc1onc(CC(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)c1C#N ZINC000354532648 466632312 /nfs/dbraw/zinc/63/23/12/466632312.db2.gz KHGFXAQUCJHLGN-UHFFFAOYSA-N 1 2 349.394 2.301 20 30 EEEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000413392479 467233672 /nfs/dbraw/zinc/23/36/72/467233672.db2.gz CXHMGBLQKLDMDL-KRWDZBQOSA-N 1 2 344.459 2.441 20 30 EEEDLO CCC[N@H+](CC(N)=O)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000429117030 467301221 /nfs/dbraw/zinc/30/12/21/467301221.db2.gz OTSAAINFZPZBBB-CYBMUJFWSA-N 1 2 348.472 2.074 20 30 EEEDLO CCC[N@@H+](CC(N)=O)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000429117030 467301223 /nfs/dbraw/zinc/30/12/23/467301223.db2.gz OTSAAINFZPZBBB-CYBMUJFWSA-N 1 2 348.472 2.074 20 30 EEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000413984806 467356103 /nfs/dbraw/zinc/35/61/03/467356103.db2.gz IVCOFJCFWDXSQZ-SJLPKXTDSA-N 1 2 326.444 2.326 20 30 EEEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@H]1C ZINC000408041022 467499329 /nfs/dbraw/zinc/49/93/29/467499329.db2.gz KMPAZHPJVUFTOK-VXGBXAGGSA-N 1 2 341.864 2.315 20 30 EEEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@H]1C ZINC000408041022 467499331 /nfs/dbraw/zinc/49/93/31/467499331.db2.gz KMPAZHPJVUFTOK-VXGBXAGGSA-N 1 2 341.864 2.315 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439427720 467567399 /nfs/dbraw/zinc/56/73/99/467567399.db2.gz AUPDOOMTYQIMLN-LBPRGKRZSA-N 1 2 331.185 2.173 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439427720 467567400 /nfs/dbraw/zinc/56/74/00/467567400.db2.gz AUPDOOMTYQIMLN-LBPRGKRZSA-N 1 2 331.185 2.173 20 30 EEEDLO CCOc1ccc2c(c1)CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C2 ZINC000441078269 467571532 /nfs/dbraw/zinc/57/15/32/467571532.db2.gz ITSHCVKOJKXZKX-LJQANCHMSA-N 1 2 327.428 2.252 20 30 EEEDLO CCOc1ccc2c(c1)CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C2 ZINC000441078269 467571534 /nfs/dbraw/zinc/57/15/34/467571534.db2.gz ITSHCVKOJKXZKX-LJQANCHMSA-N 1 2 327.428 2.252 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1O ZINC000442614272 467576356 /nfs/dbraw/zinc/57/63/56/467576356.db2.gz GOMKNWZJGGBRHK-UHFFFAOYSA-N 1 2 327.409 2.283 20 30 EEEDLO COc1ccccc1[C@H](CNC(=O)c1ccc(C#N)c(O)c1)[NH+](C)C ZINC000442623262 467576431 /nfs/dbraw/zinc/57/64/31/467576431.db2.gz SDCSLTAUIFDDNH-INIZCTEOSA-N 1 2 339.395 2.305 20 30 EEEDLO CC(C)Oc1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1C#N ZINC000448536326 467592396 /nfs/dbraw/zinc/59/23/96/467592396.db2.gz FCLZVUPMVXCDEM-UHFFFAOYSA-N 1 2 325.372 2.644 20 30 EEEDLO Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCC2)c1C ZINC000527299623 467658649 /nfs/dbraw/zinc/65/86/49/467658649.db2.gz JTMNIEFIYZLPHM-OAHLLOKOSA-N 1 2 342.443 2.125 20 30 EEEDLO Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCC2)c1C ZINC000527299623 467658652 /nfs/dbraw/zinc/65/86/52/467658652.db2.gz JTMNIEFIYZLPHM-OAHLLOKOSA-N 1 2 342.443 2.125 20 30 EEEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000492752550 467739964 /nfs/dbraw/zinc/73/99/64/467739964.db2.gz ODGNYSCWQBQBAN-QULHZPMSSA-N 1 2 339.439 2.141 20 30 EEEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000492752550 467739966 /nfs/dbraw/zinc/73/99/66/467739966.db2.gz ODGNYSCWQBQBAN-QULHZPMSSA-N 1 2 339.439 2.141 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1ccc(Br)s1 ZINC000493016889 467820247 /nfs/dbraw/zinc/82/02/47/467820247.db2.gz IHRFLQUKNFKWNR-IYNGYCSASA-N 1 2 342.262 2.484 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)cc1OC ZINC000494364733 468049325 /nfs/dbraw/zinc/04/93/25/468049325.db2.gz OYJWEVLAXPMLSI-OAHLLOKOSA-N 1 2 332.400 2.287 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)cc1OC ZINC000494364733 468049327 /nfs/dbraw/zinc/04/93/27/468049327.db2.gz OYJWEVLAXPMLSI-OAHLLOKOSA-N 1 2 332.400 2.287 20 30 EEEDLO CC(C)[C@@H](C(=O)Nc1cc(CC#N)ccn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000531670355 468068227 /nfs/dbraw/zinc/06/82/27/468068227.db2.gz HWIKHBAZUUPBIL-VBQJREDUSA-N 1 2 330.432 2.220 20 30 EEEDLO CC(C)[C@@H](C(=O)Nc1cc(CC#N)ccn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000531670355 468068230 /nfs/dbraw/zinc/06/82/30/468068230.db2.gz HWIKHBAZUUPBIL-VBQJREDUSA-N 1 2 330.432 2.220 20 30 EEEDLO N#CCc1ccnc(NC(=O)c2ccccc2C[NH+]2CCOCC2)c1 ZINC000531924038 468085357 /nfs/dbraw/zinc/08/53/57/468085357.db2.gz RHCCATUTZJSVKQ-UHFFFAOYSA-N 1 2 336.395 2.232 20 30 EEEDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000495749405 468102310 /nfs/dbraw/zinc/10/23/10/468102310.db2.gz LOQRJCWYQVCTJY-MRXNPFEDSA-N 1 2 344.415 2.049 20 30 EEEDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000495749405 468102313 /nfs/dbraw/zinc/10/23/13/468102313.db2.gz LOQRJCWYQVCTJY-MRXNPFEDSA-N 1 2 344.415 2.049 20 30 EEEDLO CC(C)(C)OC(=O)N1CC2(CC(N=NC3=[NH+][C@@H]4CCCC[C@H]4N3)C2)C1 ZINC000495793586 468103328 /nfs/dbraw/zinc/10/33/28/468103328.db2.gz JLOMASMXRPPGMJ-ZIAGYGMSSA-N 1 2 347.463 2.233 20 30 EEEDLO C[C@@H](CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)n1cc[nH+]c1 ZINC000565777518 468138264 /nfs/dbraw/zinc/13/82/64/468138264.db2.gz LCDXFAMWTLCHHR-WMZOPIPTSA-N 1 2 337.427 2.071 20 30 EEEDLO COc1cccc([C@@H](NC(=O)c2cccc(C#N)n2)c2[nH+]ccn2C)c1 ZINC000589272462 468140212 /nfs/dbraw/zinc/14/02/12/468140212.db2.gz BVFWFZUIVKHVMF-QGZVFWFLSA-N 1 2 347.378 2.215 20 30 EEEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cnn1-c1ccc(F)cc1F ZINC000566624028 468156050 /nfs/dbraw/zinc/15/60/50/468156050.db2.gz XHLURUZXJBJHPJ-QGZVFWFLSA-N 1 2 347.369 2.033 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1(C#N)CC1)c1cccc(F)c1 ZINC000577340256 468182354 /nfs/dbraw/zinc/18/23/54/468182354.db2.gz NIQIEZVORDSINK-CQSZACIVSA-N 1 2 327.363 2.252 20 30 EEEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2nc3ccccc3s2)CC1 ZINC000567769740 468206107 /nfs/dbraw/zinc/20/61/07/468206107.db2.gz MPCLDRGHYCVDLX-UHFFFAOYSA-N 1 2 337.470 2.225 20 30 EEEDLO Cc1cc(C#N)cnc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000551428613 468239658 /nfs/dbraw/zinc/23/96/58/468239658.db2.gz CHJBNSOZBVYSDD-UONOGXRCSA-N 1 2 325.372 2.238 20 30 EEEDLO Cc1cc(C#N)cnc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000551428613 468239661 /nfs/dbraw/zinc/23/96/61/468239661.db2.gz CHJBNSOZBVYSDD-UONOGXRCSA-N 1 2 325.372 2.238 20 30 EEEDLO C[C@H](NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccc2ccccc2c1 ZINC000592144582 468637451 /nfs/dbraw/zinc/63/74/51/468637451.db2.gz BBUOKIWACOFNFZ-MGPUTAFESA-N 1 2 337.423 2.367 20 30 EEEDLO C[C@H](NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccc2ccccc2c1 ZINC000592144582 468637456 /nfs/dbraw/zinc/63/74/56/468637456.db2.gz BBUOKIWACOFNFZ-MGPUTAFESA-N 1 2 337.423 2.367 20 30 EEEDLO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592147410 468639118 /nfs/dbraw/zinc/63/91/18/468639118.db2.gz LMODNKXUGHLCFL-OXQOHEQNSA-N 1 2 343.471 2.413 20 30 EEEDLO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592147410 468639123 /nfs/dbraw/zinc/63/91/23/468639123.db2.gz LMODNKXUGHLCFL-OXQOHEQNSA-N 1 2 343.471 2.413 20 30 EEEDLO N#CC1(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)CCC1 ZINC000583074459 468639502 /nfs/dbraw/zinc/63/95/02/468639502.db2.gz ARABWACOVYTGKF-AWEZNQCLSA-N 1 2 348.472 2.114 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000592154925 468641655 /nfs/dbraw/zinc/64/16/55/468641655.db2.gz WHNLZSYKTQIPIW-AWEZNQCLSA-N 1 2 336.189 2.441 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000592154925 468641659 /nfs/dbraw/zinc/64/16/59/468641659.db2.gz WHNLZSYKTQIPIW-AWEZNQCLSA-N 1 2 336.189 2.441 20 30 EEEDLO COc1ccc(-c2ccc(N3CCC[C@H](C(N)=O)C3)[nH+]c2)c(C#N)c1 ZINC000600788918 468658693 /nfs/dbraw/zinc/65/86/93/468658693.db2.gz BQHGWUQFABBTQJ-AWEZNQCLSA-N 1 2 336.395 2.331 20 30 EEEDLO Cn1nc(C(F)F)c2cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)sc21 ZINC000583444142 468699520 /nfs/dbraw/zinc/69/95/20/468699520.db2.gz OYIZNRCULLZWFH-CQSZACIVSA-N 1 2 341.387 2.146 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2ccccc2CC#N)CC1 ZINC000600997965 468712036 /nfs/dbraw/zinc/71/20/36/468712036.db2.gz PFUCFFZWTCJUCF-UHFFFAOYSA-N 1 2 338.411 2.316 20 30 EEEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@@H]1C ZINC000601383073 468850917 /nfs/dbraw/zinc/85/09/17/468850917.db2.gz KROMAGNSIAKEQE-STQMWFEESA-N 1 2 339.436 2.109 20 30 EEEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@@H]1C ZINC000601383073 468850921 /nfs/dbraw/zinc/85/09/21/468850921.db2.gz KROMAGNSIAKEQE-STQMWFEESA-N 1 2 339.436 2.109 20 30 EEEDLO CC(C)(C#N)CC[NH+]1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000595447289 468856806 /nfs/dbraw/zinc/85/68/06/468856806.db2.gz UPZPURXHSOWUPU-UHFFFAOYSA-N 1 2 333.457 2.003 20 30 EEEDLO CCN1CC[C@@H]([NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000595470439 468866483 /nfs/dbraw/zinc/86/64/83/468866483.db2.gz VTWNNWOPQFKESE-IAGOWNOFSA-N 1 2 346.862 2.143 20 30 EEEDLO C=CCCn1cc(C(=O)N2CCCC[C@H]2c2[nH+]ccn2CC)nn1 ZINC000572150217 468893656 /nfs/dbraw/zinc/89/36/56/468893656.db2.gz KOBZWBBOERNEIB-HNNXBMFYSA-N 1 2 328.420 2.438 20 30 EEEDLO COc1cc(N2CC[NH+](Cc3cccc(C#N)n3)CC2)ccc1F ZINC000602649961 468987627 /nfs/dbraw/zinc/98/76/27/468987627.db2.gz ARODRSWLCYJLQW-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO Cc1noc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000585801079 469039788 /nfs/dbraw/zinc/03/97/88/469039788.db2.gz HBGAFGPCCRZDKD-ZWNOBZJWSA-N 1 2 343.387 2.276 20 30 EEEDLO Cc1noc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000585801079 469039791 /nfs/dbraw/zinc/03/97/91/469039791.db2.gz HBGAFGPCCRZDKD-ZWNOBZJWSA-N 1 2 343.387 2.276 20 30 EEEDLO CC(C)[C@@H](NC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccc(F)cc1 ZINC000611175826 469181983 /nfs/dbraw/zinc/18/19/83/469181983.db2.gz KYBRXUSQJTXYHX-LJQANCHMSA-N 1 2 346.450 2.170 20 30 EEEDLO CC1(CS(=O)(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000589123897 469198127 /nfs/dbraw/zinc/19/81/27/469198127.db2.gz RZKOXRGLRNPCFT-UHFFFAOYSA-N 1 2 347.484 2.196 20 30 EEEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1cccc(C#N)c1F ZINC000599444242 469259414 /nfs/dbraw/zinc/25/94/14/469259414.db2.gz HMWUSAIWLIKVSS-SFHVURJKSA-N 1 2 336.374 2.302 20 30 EEEDLO N#C[C@]1(F)CCN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000615541410 469260180 /nfs/dbraw/zinc/26/01/80/469260180.db2.gz QYNARYNEPMEHGE-GOSISDBHSA-N 1 2 341.390 2.273 20 30 EEEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCC3(C#N)CC3)CC2)c1 ZINC000574350911 469272760 /nfs/dbraw/zinc/27/27/60/469272760.db2.gz QMXGYWNDXXWDCD-OAHLLOKOSA-N 1 2 342.443 2.387 20 30 EEEDLO Cc1cccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1Br ZINC000602334499 469286755 /nfs/dbraw/zinc/28/67/55/469286755.db2.gz SKJUZCRVQGBVBC-HNNXBMFYSA-N 1 2 338.249 2.260 20 30 EEEDLO N#Cc1ccc(-c2nnc(Cn3cc(C[NH+]4CCCCC4)nn3)o2)cc1 ZINC000603225693 469315226 /nfs/dbraw/zinc/31/52/26/469315226.db2.gz GWEVXJGRDXNMNH-UHFFFAOYSA-N 1 2 349.398 2.234 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000615793734 469315593 /nfs/dbraw/zinc/31/55/93/469315593.db2.gz WUQBDHVXXHYJAO-GFCCVEGCSA-N 1 2 343.340 2.366 20 30 EEEDLO C[C@H](CCC#N)C[NH+]1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000602599455 469380077 /nfs/dbraw/zinc/38/00/77/469380077.db2.gz PAEHBMSTZWYWOW-CQSZACIVSA-N 1 2 333.457 2.003 20 30 EEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000612174661 469411232 /nfs/dbraw/zinc/41/12/32/469411232.db2.gz WRXZWSKGEXOYKH-ROUUACIJSA-N 1 2 339.370 2.377 20 30 EEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000612174661 469411238 /nfs/dbraw/zinc/41/12/38/469411238.db2.gz WRXZWSKGEXOYKH-ROUUACIJSA-N 1 2 339.370 2.377 20 30 EEEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000618852866 469456192 /nfs/dbraw/zinc/45/61/92/469456192.db2.gz XYMPGMFWIQRJTQ-SFHVURJKSA-N 1 2 347.422 2.472 20 30 EEEDLO C[C@]1(C#N)CCC[N@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000616773454 469500468 /nfs/dbraw/zinc/50/04/68/469500468.db2.gz RIETWWCABGZTDV-QGZVFWFLSA-N 1 2 335.473 2.074 20 30 EEEDLO C[C@]1(C#N)CCC[N@@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000616773454 469500473 /nfs/dbraw/zinc/50/04/73/469500473.db2.gz RIETWWCABGZTDV-QGZVFWFLSA-N 1 2 335.473 2.074 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000609538134 469937671 /nfs/dbraw/zinc/93/76/71/469937671.db2.gz IDMDDTPZOVBWJU-KRWDZBQOSA-N 1 2 339.443 2.044 20 30 EEEDLO CC(C)C[C@H](C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000609793167 469961568 /nfs/dbraw/zinc/96/15/68/469961568.db2.gz SPITYYOOTUJEHW-DOTOQJQBSA-N 1 2 346.450 2.391 20 30 EEEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000610392037 470010195 /nfs/dbraw/zinc/01/01/95/470010195.db2.gz BOESGCOAEBOEAI-UHFFFAOYSA-N 1 2 334.807 2.402 20 30 EEEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000610392037 470010197 /nfs/dbraw/zinc/01/01/97/470010197.db2.gz BOESGCOAEBOEAI-UHFFFAOYSA-N 1 2 334.807 2.402 20 30 EEEDLO C=CCC[C@H](NC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000636782178 470470092 /nfs/dbraw/zinc/47/00/92/470470092.db2.gz QSSACZOMRZBINO-HNNXBMFYSA-N 1 2 326.400 2.192 20 30 EEEDLO C(#CC[N@@H+]1CCC[C@H]1c1ncccn1)CN1CCC[C@H]1c1ncccn1 ZINC000639867508 470702161 /nfs/dbraw/zinc/70/21/61/470702161.db2.gz KOJCCAQPRYFMNT-ROUUACIJSA-N 1 2 348.454 2.244 20 30 EEEDLO C(#CC[N@H+]1CCC[C@H]1c1ncccn1)CN1CCC[C@H]1c1ncccn1 ZINC000639867508 470702165 /nfs/dbraw/zinc/70/21/65/470702165.db2.gz KOJCCAQPRYFMNT-ROUUACIJSA-N 1 2 348.454 2.244 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635890486 470799024 /nfs/dbraw/zinc/79/90/24/470799024.db2.gz VNMFPXJBXOWDEF-WDSOQIARSA-N 1 2 344.455 2.367 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635890486 470799030 /nfs/dbraw/zinc/79/90/30/470799030.db2.gz VNMFPXJBXOWDEF-WDSOQIARSA-N 1 2 344.455 2.367 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccc(F)cc2Cl)nn1 ZINC000640803073 471035268 /nfs/dbraw/zinc/03/52/68/471035268.db2.gz VIBGLWTVFDJSJQ-LLVKDONJSA-N 1 2 349.797 2.383 20 30 EEEDLO C=CCCn1cc(C[NH2+]Cc2cccc(C(=O)NCCC)c2)nn1 ZINC000657313943 471095674 /nfs/dbraw/zinc/09/56/74/471095674.db2.gz XRCBADGVEKNOKF-UHFFFAOYSA-N 1 2 327.432 2.284 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@H](C)CO ZINC000654243853 471883714 /nfs/dbraw/zinc/88/37/14/471883714.db2.gz WJLXTFJDYSCEGQ-ZLENFMNRSA-N 1 2 329.400 2.428 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cncc(Br)c2C)C1=O ZINC000668100517 472008709 /nfs/dbraw/zinc/00/87/09/472008709.db2.gz ONWLUVPLLWRSLM-CQSZACIVSA-N 1 2 338.249 2.371 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cncc(Br)c2C)C1=O ZINC000668100517 472008713 /nfs/dbraw/zinc/00/87/13/472008713.db2.gz ONWLUVPLLWRSLM-CQSZACIVSA-N 1 2 338.249 2.371 20 30 EEEDLO C=C[C@H](O)C(=O)N(CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000668260159 472062569 /nfs/dbraw/zinc/06/25/69/472062569.db2.gz CGOXYOORKKJNJV-KRWDZBQOSA-N 1 2 343.427 2.248 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1OC ZINC000617741358 485662745 /nfs/dbraw/zinc/66/27/45/485662745.db2.gz LYWGXIVKRZECDT-HUUCEWRRSA-N 1 2 348.443 2.099 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)cc1OC ZINC000617741358 485662754 /nfs/dbraw/zinc/66/27/54/485662754.db2.gz LYWGXIVKRZECDT-HUUCEWRRSA-N 1 2 348.443 2.099 20 30 EEEDLO CCC[N@H+](CC#CCOC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000677476932 486439828 /nfs/dbraw/zinc/43/98/28/486439828.db2.gz KJSVIPBPZWZAQB-UHFFFAOYSA-N 1 2 328.334 2.404 20 30 EEEDLO CCC[N@@H+](CC#CCOC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000677476932 486439832 /nfs/dbraw/zinc/43/98/32/486439832.db2.gz KJSVIPBPZWZAQB-UHFFFAOYSA-N 1 2 328.334 2.404 20 30 EEEDLO COCC#CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000677818931 486500104 /nfs/dbraw/zinc/50/01/04/486500104.db2.gz LPKZHDZNAKPVER-KRWDZBQOSA-N 1 2 328.412 2.064 20 30 EEEDLO COCC#CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000677818931 486500109 /nfs/dbraw/zinc/50/01/09/486500109.db2.gz LPKZHDZNAKPVER-KRWDZBQOSA-N 1 2 328.412 2.064 20 30 EEEDLO N#CCCCCS(=O)(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000109337803 534602296 /nfs/dbraw/zinc/60/22/96/534602296.db2.gz VCWLDOSZLSNWHI-UHFFFAOYSA-N 1 2 346.456 2.087 20 30 EEEDLO N#CCCCCS(=O)(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000104112865 534604742 /nfs/dbraw/zinc/60/47/42/534604742.db2.gz GOIXGKHKIFOOAV-UHFFFAOYSA-N 1 2 336.461 2.185 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)c[nH]1 ZINC000181153884 534771601 /nfs/dbraw/zinc/77/16/01/534771601.db2.gz LCYSQMLDCLLCPX-UHFFFAOYSA-N 1 2 328.803 2.498 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000105797303 526542289 /nfs/dbraw/zinc/54/22/89/526542289.db2.gz SJLNMYLJPUWAGW-INIZCTEOSA-N 1 2 348.491 2.222 20 30 EEEDLO C#CC[N@@H+](C)CC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000192230683 526800715 /nfs/dbraw/zinc/80/07/15/526800715.db2.gz AGNHVGJCCJXTAT-UHFFFAOYSA-N 1 2 326.396 2.178 20 30 EEEDLO C#CC[N@H+](C)CC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000192230683 526800719 /nfs/dbraw/zinc/80/07/19/526800719.db2.gz AGNHVGJCCJXTAT-UHFFFAOYSA-N 1 2 326.396 2.178 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554484 527634682 /nfs/dbraw/zinc/63/46/82/527634682.db2.gz XRMGKDQCPYGAMR-KRWDZBQOSA-N 1 2 338.455 2.269 20 30 EEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000729160752 576607262 /nfs/dbraw/zinc/60/72/62/576607262.db2.gz CVFGSAFNZBTUIG-LLVKDONJSA-N 1 2 338.864 2.219 20 30 EEEDLO C[C@@H]1COCC[N@H+]1CCNC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000729160752 576607264 /nfs/dbraw/zinc/60/72/64/576607264.db2.gz CVFGSAFNZBTUIG-LLVKDONJSA-N 1 2 338.864 2.219 20 30 EEEDLO C=CC1CC[NH+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000732205937 577156604 /nfs/dbraw/zinc/15/66/04/577156604.db2.gz JMHSVATYNFDCSC-OAHLLOKOSA-N 1 2 336.395 2.410 20 30 EEEDLO CC[C@H](C#N)Oc1cc(CNC(=O)CCn2cc[nH+]c2)ccc1OC ZINC000733229719 577214422 /nfs/dbraw/zinc/21/44/22/577214422.db2.gz GODVMZXPOLCYOG-OAHLLOKOSA-N 1 2 342.399 2.279 20 30 EEEDLO CC(C)N(C)c1ccc(C=[NH+]Nc2ccccc2S(N)(=O)=O)cn1 ZINC000773122096 577317372 /nfs/dbraw/zinc/31/73/72/577317372.db2.gz ZEUDRCNTEFOXRP-UHFFFAOYSA-N 1 2 347.444 2.020 20 30 EEEDLO Nc1ncccc1C=[NH+]Nc1ncnc2c1cnn2-c1ccccc1 ZINC000764683257 577486675 /nfs/dbraw/zinc/48/66/75/577486675.db2.gz RUAJUENEBUHXNM-UHFFFAOYSA-N 1 2 330.355 2.239 20 30 EEEDLO CCc1nn(C)c(Cl)c1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000768234156 577552593 /nfs/dbraw/zinc/55/25/93/577552593.db2.gz ULFPUGBYHBRVIK-UHFFFAOYSA-N 1 2 344.850 2.225 20 30 EEEDLO C#C[C@@H](NC(=O)N(C)CCCc1[nH+]ccn1CCC)[C@H]1CCCO1 ZINC000759150397 577637951 /nfs/dbraw/zinc/63/79/51/577637951.db2.gz UBHBDHMSQPSXKO-HZPDHXFCSA-N 1 2 332.448 2.048 20 30 EEEDLO OC1(C(F)(F)F)CCC(N=Nc2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000761834995 577689820 /nfs/dbraw/zinc/68/98/20/577689820.db2.gz LLDAYRFQOBLEBA-UHFFFAOYSA-N 1 2 340.309 2.298 20 30 EEEDLO C=CCc1cc(OCC)cc(C[N@@H+]2CCO[C@@H](CC(=O)OC)C2)c1O ZINC000751951979 577763112 /nfs/dbraw/zinc/76/31/12/577763112.db2.gz ACEYXLFHBVOWIR-KRWDZBQOSA-N 1 2 349.427 2.283 20 30 EEEDLO C=CCc1cc(OCC)cc(C[N@H+]2CCO[C@@H](CC(=O)OC)C2)c1O ZINC000751951979 577763113 /nfs/dbraw/zinc/76/31/13/577763113.db2.gz ACEYXLFHBVOWIR-KRWDZBQOSA-N 1 2 349.427 2.283 20 30 EEEDLO CN(C)c1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)ccn1 ZINC000754000254 577798334 /nfs/dbraw/zinc/79/83/34/577798334.db2.gz MEBVVSZQNHLTFH-UHFFFAOYSA-N 1 2 335.455 2.337 20 30 EEEDLO C[C@H](NC(=O)c1cccnc1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969210421 674705974 /nfs/dbraw/zinc/70/59/74/674705974.db2.gz RYVGSEWOKJKQEO-ZDUSSCGKSA-N 1 2 338.386 2.343 20 30 EEEDLO Cc1nc(C(=O)N[C@H](C)C2C[NH+](CC#Cc3ccc(F)cc3)C2)co1 ZINC000969525793 675092222 /nfs/dbraw/zinc/09/22/22/675092222.db2.gz GIJNRDUGDGTEET-CYBMUJFWSA-N 1 2 341.386 2.224 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnn3c2C[C@H](C)CC3)C1 ZINC000970814465 676170281 /nfs/dbraw/zinc/17/02/81/676170281.db2.gz AQPVDUUQHDHSCC-YPMHNXCESA-N 1 2 336.867 2.268 20 30 EEEDLO CCc1ncncc1C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970889097 676217089 /nfs/dbraw/zinc/21/70/89/676217089.db2.gz PDZNXRVBVZMAMQ-AWEZNQCLSA-N 1 2 349.438 2.161 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C(F)F)nn2C)C1 ZINC000970144510 675573841 /nfs/dbraw/zinc/57/38/41/675573841.db2.gz YLTWOMIYLHEVPS-SECBINFHSA-N 1 2 332.782 2.160 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccnc3ccncc32)C1 ZINC000970217742 675725421 /nfs/dbraw/zinc/72/54/21/675725421.db2.gz RJHZAXCQZIOZGP-GFCCVEGCSA-N 1 2 330.819 2.432 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC000970342852 675798495 /nfs/dbraw/zinc/79/84/95/675798495.db2.gz FXYNKPOFEBSWKL-CHWSQXEVSA-N 1 2 349.853 2.153 20 30 EEEDLO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001067568382 676311586 /nfs/dbraw/zinc/31/15/86/676311586.db2.gz GMVDDHUQJOJFND-INIZCTEOSA-N 1 2 346.475 2.109 20 30 EEEDLO C[N@H+](Cc1coc(C2CC2)n1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971364064 676503445 /nfs/dbraw/zinc/50/34/45/676503445.db2.gz NPVZJSXTKIRKQY-OAHLLOKOSA-N 1 2 339.399 2.098 20 30 EEEDLO C[N@@H+](Cc1coc(C2CC2)n1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971364064 676503447 /nfs/dbraw/zinc/50/34/47/676503447.db2.gz NPVZJSXTKIRKQY-OAHLLOKOSA-N 1 2 339.399 2.098 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2c(C)ccn2C)C1 ZINC000971410197 676534595 /nfs/dbraw/zinc/53/45/95/676534595.db2.gz NWLULEVTCUVYGK-ZDUSSCGKSA-N 1 2 340.265 2.388 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2c(C)ccn2C)C1 ZINC000971410197 676534597 /nfs/dbraw/zinc/53/45/97/676534597.db2.gz NWLULEVTCUVYGK-ZDUSSCGKSA-N 1 2 340.265 2.388 20 30 EEEDLO C[N@H+](Cc1cc(O)ccc1Cl)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971510308 676605459 /nfs/dbraw/zinc/60/54/59/676605459.db2.gz CUTCDYUOMVFBFK-OAHLLOKOSA-N 1 2 332.831 2.492 20 30 EEEDLO C[N@@H+](Cc1cc(O)ccc1Cl)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971510308 676605460 /nfs/dbraw/zinc/60/54/60/676605460.db2.gz CUTCDYUOMVFBFK-OAHLLOKOSA-N 1 2 332.831 2.492 20 30 EEEDLO Cc1n[nH]cc1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000972052755 676920289 /nfs/dbraw/zinc/92/02/89/676920289.db2.gz NDJBYIZKPAHVBS-MRXNPFEDSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1n[nH]cc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000972052755 676920292 /nfs/dbraw/zinc/92/02/92/676920292.db2.gz NDJBYIZKPAHVBS-MRXNPFEDSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1cc(C#N)ccc1NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000892161203 678178900 /nfs/dbraw/zinc/17/89/00/678178900.db2.gz JKZLDTLQJNHEEN-UHFFFAOYSA-N 1 2 349.438 2.413 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3cc(C)n(C)n3)C2)cc1 ZINC000972059322 678185340 /nfs/dbraw/zinc/18/53/40/678185340.db2.gz REKAEZDCEMFSLE-IBGZPJMESA-N 1 2 336.439 2.056 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3cc(C)n(C)n3)C2)cc1 ZINC000972059322 678185344 /nfs/dbraw/zinc/18/53/44/678185344.db2.gz REKAEZDCEMFSLE-IBGZPJMESA-N 1 2 336.439 2.056 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(C4CCCC4)n3)C2)C1 ZINC000972401736 678686021 /nfs/dbraw/zinc/68/60/21/678686021.db2.gz HPJONVPOZLWBLF-IBGZPJMESA-N 1 2 344.459 2.101 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(C4CCCC4)n3)C2)C1 ZINC000972401736 678686023 /nfs/dbraw/zinc/68/60/23/678686023.db2.gz HPJONVPOZLWBLF-IBGZPJMESA-N 1 2 344.459 2.101 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(F)ccc3CC)C2)C1 ZINC000972450546 678767169 /nfs/dbraw/zinc/76/71/69/678767169.db2.gz VUZKPMXGTWHEQY-IBGZPJMESA-N 1 2 332.419 2.491 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(F)ccc3CC)C2)C1 ZINC000972450546 678767171 /nfs/dbraw/zinc/76/71/71/678767171.db2.gz VUZKPMXGTWHEQY-IBGZPJMESA-N 1 2 332.419 2.491 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc(C(C)C)n3)C2)C1 ZINC000972452649 678770909 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20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3ccc(Cl)cc3)C2)C1 ZINC000972485022 678865365 /nfs/dbraw/zinc/86/53/65/678865365.db2.gz RFADQJRYTMINED-LJQANCHMSA-N 1 2 346.858 2.209 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1cccnc1C)CCO2 ZINC000972495643 679072199 /nfs/dbraw/zinc/07/21/99/679072199.db2.gz AWSFXOFQGSSOEG-FQEVSTJZSA-N 1 2 343.471 2.406 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1cccnc1C)CCO2 ZINC000972495643 679072203 /nfs/dbraw/zinc/07/22/03/679072203.db2.gz AWSFXOFQGSSOEG-FQEVSTJZSA-N 1 2 343.471 2.406 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccoc3C3CC3)C2)C1 ZINC000972519737 679145486 /nfs/dbraw/zinc/14/54/86/679145486.db2.gz YODQLAHEZZSCPN-LJQANCHMSA-N 1 2 328.412 2.097 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccoc3C3CC3)C2)C1 ZINC000972519737 679145488 /nfs/dbraw/zinc/14/54/88/679145488.db2.gz YODQLAHEZZSCPN-LJQANCHMSA-N 1 2 328.412 2.097 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 ZINC000972525776 679165295 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20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](F)CC3CCCCC3)C2)C1 ZINC000972639159 679479463 /nfs/dbraw/zinc/47/94/63/679479463.db2.gz PXHIUEULSDUDQT-HKUYNNGSSA-N 1 2 336.451 2.231 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](F)CC3CCCCC3)C2)C1 ZINC000972639159 679479465 /nfs/dbraw/zinc/47/94/65/679479465.db2.gz PXHIUEULSDUDQT-HKUYNNGSSA-N 1 2 336.451 2.231 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@](C)(OC)c3ccccc3)C2)C1 ZINC000972640570 679480066 /nfs/dbraw/zinc/48/00/66/679480066.db2.gz KYTMYDOWUIMLSG-PMACEKPBSA-N 1 2 344.455 2.038 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@](C)(OC)c3ccccc3)C2)C1 ZINC000972640570 679480068 /nfs/dbraw/zinc/48/00/68/679480068.db2.gz KYTMYDOWUIMLSG-PMACEKPBSA-N 1 2 344.455 2.038 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(OCC)cc3)C2)C1 ZINC000972663109 679532106 /nfs/dbraw/zinc/53/21/06/679532106.db2.gz YRFQSTFEEXHDJN-IBGZPJMESA-N 1 2 330.428 2.188 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(OCC)cc3)C2)C1 ZINC000972663109 679532107 /nfs/dbraw/zinc/53/21/07/679532107.db2.gz YRFQSTFEEXHDJN-IBGZPJMESA-N 1 2 330.428 2.188 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3Cc4c3cccc4Cl)C2)C1 ZINC000972691320 679611365 /nfs/dbraw/zinc/61/13/65/679611365.db2.gz AMQFZMJKDJINQT-LPHOPBHVSA-N 1 2 346.858 2.469 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3Cc4c3cccc4Cl)C2)C1 ZINC000972691320 679611367 /nfs/dbraw/zinc/61/13/67/679611367.db2.gz AMQFZMJKDJINQT-LPHOPBHVSA-N 1 2 346.858 2.469 20 30 EEEDLO CC1(C)C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1NC(=O)c1ccon1 ZINC000972827183 679807130 /nfs/dbraw/zinc/80/71/30/679807130.db2.gz JOOCHBOAEDTQAF-KRWDZBQOSA-N 1 2 341.386 2.306 20 30 EEEDLO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1NC(=O)c1ccon1 ZINC000972827183 679807131 /nfs/dbraw/zinc/80/71/31/679807131.db2.gz JOOCHBOAEDTQAF-KRWDZBQOSA-N 1 2 341.386 2.306 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)ncn1 ZINC001024396504 679889112 /nfs/dbraw/zinc/88/91/12/679889112.db2.gz RUNYNNQZIZNLLS-SFHVURJKSA-N 1 2 349.438 2.441 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)ncn1 ZINC001024396504 679889113 /nfs/dbraw/zinc/88/91/13/679889113.db2.gz RUNYNNQZIZNLLS-SFHVURJKSA-N 1 2 349.438 2.441 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)oc1C ZINC001024400154 679889906 /nfs/dbraw/zinc/88/99/06/679889906.db2.gz SCUYMDWBXNLIBQ-INIZCTEOSA-N 1 2 341.415 2.276 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)oc1C ZINC001024400154 679889907 /nfs/dbraw/zinc/88/99/07/679889907.db2.gz SCUYMDWBXNLIBQ-INIZCTEOSA-N 1 2 341.415 2.276 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001024515541 680018122 /nfs/dbraw/zinc/01/81/22/680018122.db2.gz UYWBYFNECLCHOJ-HUUCEWRRSA-N 1 2 336.867 2.169 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001024515541 680018126 /nfs/dbraw/zinc/01/81/26/680018126.db2.gz UYWBYFNECLCHOJ-HUUCEWRRSA-N 1 2 336.867 2.169 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H](Nc3nc(N(C)C)nc(C)[nH+]3)C2)CC1 ZINC001059051632 681299240 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O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)C1CCOCC1 ZINC001006547919 682321762 /nfs/dbraw/zinc/32/17/62/682321762.db2.gz SUENELRDKBBUPX-IBGZPJMESA-N 1 2 344.430 2.184 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001025834138 683346490 /nfs/dbraw/zinc/34/64/90/683346490.db2.gz NUXIAOXFQGSIMI-GNVXKGRQSA-N 1 2 339.277 2.378 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001025834138 683346494 /nfs/dbraw/zinc/34/64/94/683346494.db2.gz NUXIAOXFQGSIMI-GNVXKGRQSA-N 1 2 339.277 2.378 20 30 EEEDLO Cc1cc(C)c(C(=O)N2CC[C@@H](CCNC(=O)[C@@H](C)C#N)C2)c(C)[nH+]1 ZINC001060086590 693754982 /nfs/dbraw/zinc/75/49/82/693754982.db2.gz JFSHIRAEKATQIM-XJKSGUPXSA-N 1 2 342.443 2.135 20 30 EEEDLO CO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001029229184 683617408 /nfs/dbraw/zinc/61/74/08/683617408.db2.gz MKWFKOQGALTGJX-OLMNPRSZSA-N 1 2 346.858 2.402 20 30 EEEDLO CO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001029229184 683617411 /nfs/dbraw/zinc/61/74/11/683617411.db2.gz MKWFKOQGALTGJX-OLMNPRSZSA-N 1 2 346.858 2.402 20 30 EEEDLO C=CCCn1cc(C(=O)NC2C[NH+](Cc3c(C)cccc3C)C2)nn1 ZINC001031075011 683669301 /nfs/dbraw/zinc/66/93/01/683669301.db2.gz BQFUYJIKEXEXQD-UHFFFAOYSA-N 1 2 339.443 2.085 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)C2CCOCC2)[C@H]1C ZINC000992972002 683696916 /nfs/dbraw/zinc/69/69/16/683696916.db2.gz URQMTIAOHCECSR-TZMCWYRMSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)C2CCOCC2)[C@H]1C ZINC000992972002 683696918 /nfs/dbraw/zinc/69/69/18/683696918.db2.gz URQMTIAOHCECSR-TZMCWYRMSA-N 1 2 345.281 2.291 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ccn[nH]2)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000993059081 683816883 /nfs/dbraw/zinc/81/68/83/683816883.db2.gz ALAMNRWMSYVFOY-LRDDRELGSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ccn[nH]2)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000993059081 683816889 /nfs/dbraw/zinc/81/68/89/683816889.db2.gz ALAMNRWMSYVFOY-LRDDRELGSA-N 1 2 341.390 2.203 20 30 EEEDLO CC(=O)OC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000153359263 683974466 /nfs/dbraw/zinc/97/44/66/683974466.db2.gz LIQCBIXHDWRQED-UHFFFAOYSA-N 1 2 335.791 2.178 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@@H+]1Cc1ccc(F)cn1 ZINC000993168849 684035613 /nfs/dbraw/zinc/03/56/13/684035613.db2.gz JDAZMWGBPJMXCF-BLLLJJGKSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@H+]1Cc1ccc(F)cn1 ZINC000993168849 684035614 /nfs/dbraw/zinc/03/56/14/684035614.db2.gz JDAZMWGBPJMXCF-BLLLJJGKSA-N 1 2 341.390 2.203 20 30 EEEDLO CCc1n[nH]cc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029375738 684137941 /nfs/dbraw/zinc/13/79/41/684137941.db2.gz AQUCONSILHAFJZ-HDICACEKSA-N 1 2 348.450 2.313 20 30 EEEDLO CCc1n[nH]cc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029375738 684137943 /nfs/dbraw/zinc/13/79/43/684137943.db2.gz AQUCONSILHAFJZ-HDICACEKSA-N 1 2 348.450 2.313 20 30 EEEDLO Cc1csc(C[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)n1 ZINC000974470846 684961490 /nfs/dbraw/zinc/96/14/90/684961490.db2.gz CTNPEFFGKNJRMI-CQSZACIVSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1csc(C[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)n1 ZINC000974470846 684961492 /nfs/dbraw/zinc/96/14/92/684961492.db2.gz CTNPEFFGKNJRMI-CQSZACIVSA-N 1 2 343.456 2.292 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1C[N@@H+](Cc2ccn(C)n2)CC1(C)C ZINC000974677424 685211453 /nfs/dbraw/zinc/21/14/53/685211453.db2.gz DTSPTHIUXOZNDM-KRWDZBQOSA-N 1 2 341.459 2.048 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1C[N@H+](Cc2ccn(C)n2)CC1(C)C ZINC000974677424 685211455 /nfs/dbraw/zinc/21/14/55/685211455.db2.gz DTSPTHIUXOZNDM-KRWDZBQOSA-N 1 2 341.459 2.048 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cncc3ncn(C)c32)C(C)(C)C1 ZINC000974682368 685230130 /nfs/dbraw/zinc/23/01/30/685230130.db2.gz XGJHJCOMSASQMY-AWEZNQCLSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cncc3ncn(C)c32)C(C)(C)C1 ZINC000974682368 685230135 /nfs/dbraw/zinc/23/01/35/685230135.db2.gz XGJHJCOMSASQMY-AWEZNQCLSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccnc(N(C)C)c2)C(C)(C)C1 ZINC000975097590 686139763 /nfs/dbraw/zinc/13/97/63/686139763.db2.gz AYUSQJYQTYHULJ-CQSZACIVSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccnc(N(C)C)c2)C(C)(C)C1 ZINC000975097590 686139767 /nfs/dbraw/zinc/13/97/67/686139767.db2.gz AYUSQJYQTYHULJ-CQSZACIVSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccnc(N(C)C)c2)C(C)(C)C1 ZINC000975097583 686139958 /nfs/dbraw/zinc/13/99/58/686139958.db2.gz AYUSQJYQTYHULJ-AWEZNQCLSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccnc(N(C)C)c2)C(C)(C)C1 ZINC000975097583 686139959 /nfs/dbraw/zinc/13/99/59/686139959.db2.gz AYUSQJYQTYHULJ-AWEZNQCLSA-N 1 2 336.867 2.340 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1F ZINC001038133889 694001470 /nfs/dbraw/zinc/00/14/70/694001470.db2.gz 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2.370 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)[nH]n1 ZINC001006847523 1221976775 /nfs/dbraw/zinc/97/67/75/1221976775.db2.gz RRNFVETVGQZUAN-LBPRGKRZSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)[nH]n1 ZINC001006847523 1221976780 /nfs/dbraw/zinc/97/67/80/1221976780.db2.gz RRNFVETVGQZUAN-LBPRGKRZSA-N 1 2 329.429 2.046 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCCOC3)C2)ccc1F ZINC001006877274 1221994820 /nfs/dbraw/zinc/99/48/20/1221994820.db2.gz DMWXRZAEMVMDSO-DOTOQJQBSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CCCOC3)C2)ccc1F ZINC001006877274 1221994822 /nfs/dbraw/zinc/99/48/22/1221994822.db2.gz DMWXRZAEMVMDSO-DOTOQJQBSA-N 1 2 345.418 2.205 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCCCO1 ZINC001007125506 1222103440 /nfs/dbraw/zinc/10/34/40/1222103440.db2.gz ZVLYCYRYSAMBQZ-RTBURBONSA-N 1 2 344.430 2.327 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCCCO1 ZINC001007125506 1222103443 /nfs/dbraw/zinc/10/34/43/1222103443.db2.gz ZVLYCYRYSAMBQZ-RTBURBONSA-N 1 2 344.430 2.327 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2cccs2)C1 ZINC001149058739 1222152741 /nfs/dbraw/zinc/15/27/41/1222152741.db2.gz OXMYVTFLCVYVAR-CYBMUJFWSA-N 1 2 328.865 2.250 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)Cc2cccs2)C1 ZINC001149058739 1222152742 /nfs/dbraw/zinc/15/27/42/1222152742.db2.gz OXMYVTFLCVYVAR-CYBMUJFWSA-N 1 2 328.865 2.250 20 30 EEEDLO Cc1ncc(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)o1 ZINC001007489383 1222256406 /nfs/dbraw/zinc/25/64/06/1222256406.db2.gz RVVUWYFKYKMBCT-QGZVFWFLSA-N 1 2 338.411 2.178 20 30 EEEDLO Cc1ncc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)o1 ZINC001007489383 1222256408 /nfs/dbraw/zinc/25/64/08/1222256408.db2.gz RVVUWYFKYKMBCT-QGZVFWFLSA-N 1 2 338.411 2.178 20 30 EEEDLO CCc1n[nH]cc1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001007756517 1222402326 /nfs/dbraw/zinc/40/23/26/1222402326.db2.gz KIAIUNXIEHWECD-QGZVFWFLSA-N 1 2 336.439 2.218 20 30 EEEDLO CCc1n[nH]cc1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001007756517 1222402330 /nfs/dbraw/zinc/40/23/30/1222402330.db2.gz KIAIUNXIEHWECD-QGZVFWFLSA-N 1 2 336.439 2.218 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001008395730 1222808487 /nfs/dbraw/zinc/80/84/87/1222808487.db2.gz QCYSQFZBZSVVHC-DNVCBOLYSA-N 1 2 346.475 2.216 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2NC(=O)c3ccccc32)C1 ZINC001008948900 1223091320 /nfs/dbraw/zinc/09/13/20/1223091320.db2.gz GDVZLRBTBWJPAP-CZUORRHYSA-N 1 2 347.846 2.194 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2NC(=O)c3ccccc32)C1 ZINC001008948900 1223091323 /nfs/dbraw/zinc/09/13/23/1223091323.db2.gz GDVZLRBTBWJPAP-CZUORRHYSA-N 1 2 347.846 2.194 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001009165947 1223162174 /nfs/dbraw/zinc/16/21/74/1223162174.db2.gz CRMAVNIMEUCWPK-HNNXBMFYSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001009165947 1223162178 /nfs/dbraw/zinc/16/21/78/1223162178.db2.gz CRMAVNIMEUCWPK-HNNXBMFYSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001009229850 1223183341 /nfs/dbraw/zinc/18/33/41/1223183341.db2.gz DGVUEWPRTIAGES-OAHLLOKOSA-N 1 2 338.883 2.395 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001009229850 1223183343 /nfs/dbraw/zinc/18/33/43/1223183343.db2.gz DGVUEWPRTIAGES-OAHLLOKOSA-N 1 2 338.883 2.395 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc(NC(N)=O)c2)C1 ZINC001009473481 1223256449 /nfs/dbraw/zinc/25/64/49/1223256449.db2.gz XZAAMTNQUISWQH-AWEZNQCLSA-N 1 2 336.823 2.124 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(NC(N)=O)c2)C1 ZINC001009473481 1223256451 /nfs/dbraw/zinc/25/64/51/1223256451.db2.gz XZAAMTNQUISWQH-AWEZNQCLSA-N 1 2 336.823 2.124 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)c3ccccc3O)C2)c1 ZINC001010267006 1223634981 /nfs/dbraw/zinc/63/49/81/1223634981.db2.gz IKOWXSHYONUZOZ-OAHLLOKOSA-N 1 2 339.370 2.407 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)c3ccccc3O)C2)c1 ZINC001010267006 1223634982 /nfs/dbraw/zinc/63/49/82/1223634982.db2.gz IKOWXSHYONUZOZ-OAHLLOKOSA-N 1 2 339.370 2.407 20 30 EEEDLO Cc1ccncc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010422174 1223713341 /nfs/dbraw/zinc/71/33/41/1223713341.db2.gz VLWQERUTHLRYPS-SFHVURJKSA-N 1 2 337.398 2.385 20 30 EEEDLO Cc1ccncc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010422174 1223713344 /nfs/dbraw/zinc/71/33/44/1223713344.db2.gz VLWQERUTHLRYPS-SFHVURJKSA-N 1 2 337.398 2.385 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCCN(c3nc(C)[nH+]c(C)c3C)C2)c1 ZINC001058239797 1248739674 /nfs/dbraw/zinc/73/96/74/1248739674.db2.gz XURUBKWKNJWROE-GOSISDBHSA-N 1 2 349.438 2.177 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC23CC[NH+](Cc2cnon2)CC3)CC1 ZINC001016808582 1226893682 /nfs/dbraw/zinc/89/36/82/1226893682.db2.gz XGOJTEGYWUBTIE-INIZCTEOSA-N 1 2 330.432 2.287 20 30 EEEDLO Cc1ccncc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)[nH]1 ZINC001017487601 1227461007 /nfs/dbraw/zinc/46/10/07/1227461007.db2.gz LBHQUCZEZMJBQA-CALCHBBNSA-N 1 2 335.411 2.079 20 30 EEEDLO Cc1ccncc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)[nH]1 ZINC001017487601 1227461023 /nfs/dbraw/zinc/46/10/23/1227461023.db2.gz LBHQUCZEZMJBQA-CALCHBBNSA-N 1 2 335.411 2.079 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](CNc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001054659308 1248820568 /nfs/dbraw/zinc/82/05/68/1248820568.db2.gz BMLRCIKWERTYRB-KBEGMRNHSA-N 1 2 344.459 2.273 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)ccnc1OCC ZINC001017767366 1227710789 /nfs/dbraw/zinc/71/07/89/1227710789.db2.gz MJJSIRPRCTZLKN-IYBDPMFKSA-N 1 2 327.428 2.101 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)ccnc1OCC ZINC001017767366 1227710796 /nfs/dbraw/zinc/71/07/96/1227710796.db2.gz MJJSIRPRCTZLKN-IYBDPMFKSA-N 1 2 327.428 2.101 20 30 EEEDLO C#CCCCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001067237448 1228324795 /nfs/dbraw/zinc/32/47/95/1228324795.db2.gz DATGJMLGHSRQNO-HZPDHXFCSA-N 1 2 344.459 2.014 20 30 EEEDLO C#CCCCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001067237448 1228324800 /nfs/dbraw/zinc/32/48/00/1228324800.db2.gz DATGJMLGHSRQNO-HZPDHXFCSA-N 1 2 344.459 2.014 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([NH2+]Cc2nnc(OCC)s2)C1 ZINC001019333735 1229000111 /nfs/dbraw/zinc/00/01/11/1229000111.db2.gz ANNSXKKSMWTOKO-LRDDRELGSA-N 1 2 338.477 2.230 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCCn2nccc21 ZINC001038433584 1229817532 /nfs/dbraw/zinc/81/75/32/1229817532.db2.gz UNCYAJSCAJLBMB-OALUTQOASA-N 1 2 348.450 2.003 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCCn2nccc21 ZINC001038433584 1229817537 /nfs/dbraw/zinc/81/75/37/1229817537.db2.gz UNCYAJSCAJLBMB-OALUTQOASA-N 1 2 348.450 2.003 20 30 EEEDLO CCCc1n[nH]cc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001038437085 1229819144 /nfs/dbraw/zinc/81/91/44/1229819144.db2.gz DMFJNWAPNWZHKB-INIZCTEOSA-N 1 2 337.427 2.238 20 30 EEEDLO CCCc1n[nH]cc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001038437085 1229819149 /nfs/dbraw/zinc/81/91/49/1229819149.db2.gz DMFJNWAPNWZHKB-INIZCTEOSA-N 1 2 337.427 2.238 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2n[nH]c3c2CCCC3)c1 ZINC001038445278 1229828320 /nfs/dbraw/zinc/82/83/20/1229828320.db2.gz IKZMBFHOYDZBPV-INIZCTEOSA-N 1 2 349.438 2.164 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2n[nH]c3c2CCCC3)c1 ZINC001038445278 1229828324 /nfs/dbraw/zinc/82/83/24/1229828324.db2.gz IKZMBFHOYDZBPV-INIZCTEOSA-N 1 2 349.438 2.164 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C)nc2C)c1 ZINC001038685635 1229975504 /nfs/dbraw/zinc/97/55/04/1229975504.db2.gz VSHYMQWYRBYRII-IBGZPJMESA-N 1 2 334.423 2.079 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C)nc2C)c1 ZINC001038685635 1229975507 /nfs/dbraw/zinc/97/55/07/1229975507.db2.gz VSHYMQWYRBYRII-IBGZPJMESA-N 1 2 334.423 2.079 20 30 EEEDLO CCc1nc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)c(C)o1 ZINC001038804131 1230068568 /nfs/dbraw/zinc/06/85/68/1230068568.db2.gz LREXKQPEZZBMSR-INIZCTEOSA-N 1 2 338.411 2.421 20 30 EEEDLO CCc1nc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)c(C)o1 ZINC001038804131 1230068572 /nfs/dbraw/zinc/06/85/72/1230068572.db2.gz LREXKQPEZZBMSR-INIZCTEOSA-N 1 2 338.411 2.421 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cncnc2C2CC2)c1 ZINC001038975580 1230205932 /nfs/dbraw/zinc/20/59/32/1230205932.db2.gz DLPCLEDQRIITPS-KRWDZBQOSA-N 1 2 347.422 2.230 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cncnc2C2CC2)c1 ZINC001038975580 1230205936 /nfs/dbraw/zinc/20/59/36/1230205936.db2.gz DLPCLEDQRIITPS-KRWDZBQOSA-N 1 2 347.422 2.230 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1COc2ccccc21 ZINC001039085772 1230291998 /nfs/dbraw/zinc/29/19/98/1230291998.db2.gz SLWYEPFAEICKCL-QUCCMNQESA-N 1 2 346.430 2.405 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1COc2ccccc21 ZINC001039085772 1230292000 /nfs/dbraw/zinc/29/20/00/1230292000.db2.gz SLWYEPFAEICKCL-QUCCMNQESA-N 1 2 346.430 2.405 20 30 EEEDLO COc1nscc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001039373265 1230560389 /nfs/dbraw/zinc/56/03/89/1230560389.db2.gz LSHGPEMKPLSVKX-CVEARBPZSA-N 1 2 345.468 2.130 20 30 EEEDLO COc1nscc1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001039373265 1230560390 /nfs/dbraw/zinc/56/03/90/1230560390.db2.gz LSHGPEMKPLSVKX-CVEARBPZSA-N 1 2 345.468 2.130 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H](C)C(=O)NC1CC1 ZINC001039895899 1230894574 /nfs/dbraw/zinc/89/45/74/1230894574.db2.gz ABIVSYQKPCMFEO-PYQAKABTSA-N 1 2 347.503 2.321 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)NC1CC1 ZINC001039895899 1230894579 /nfs/dbraw/zinc/89/45/79/1230894579.db2.gz ABIVSYQKPCMFEO-PYQAKABTSA-N 1 2 347.503 2.321 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cnon1)C2 ZINC001040368685 1231189553 /nfs/dbraw/zinc/18/95/53/1231189553.db2.gz JKGBZRMZAYBJPK-QZTJIDSGSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cnon1)C2 ZINC001040368685 1231189555 /nfs/dbraw/zinc/18/95/55/1231189555.db2.gz JKGBZRMZAYBJPK-QZTJIDSGSA-N 1 2 332.448 2.486 20 30 EEEDLO Cc1nc(NC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)cc[nH+]1 ZINC001040409801 1231215363 /nfs/dbraw/zinc/21/53/63/1231215363.db2.gz NEZQSDLLHZKBLC-DOMZBBRYSA-N 1 2 338.415 2.195 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]c(C)n3)C23CCC3)cn1 ZINC001041597132 1231616224 /nfs/dbraw/zinc/61/62/24/1231616224.db2.gz GMBMVPOIMVSIBC-SJORKVTESA-N 1 2 347.422 2.314 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3cnn(CC)n3)C2)C1 ZINC001041633022 1231630997 /nfs/dbraw/zinc/63/09/97/1231630997.db2.gz OOUQVBIKNMFADJ-RTBURBONSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(CC[N@H+](Cc3cnn(CC)n3)C2)C1 ZINC001041633022 1231630999 /nfs/dbraw/zinc/63/09/99/1231630999.db2.gz OOUQVBIKNMFADJ-RTBURBONSA-N 1 2 345.491 2.325 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CC[N@H+](Cc4cscn4)[C@@H]3C2)c1 ZINC001041999873 1231818943 /nfs/dbraw/zinc/81/89/43/1231818943.db2.gz JGEMPNVKTLRCEW-XJKSGUPXSA-N 1 2 341.440 2.079 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4cscn4)[C@@H]3C2)c1 ZINC001041999873 1231818945 /nfs/dbraw/zinc/81/89/45/1231818945.db2.gz JGEMPNVKTLRCEW-XJKSGUPXSA-N 1 2 341.440 2.079 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](Cc4cscn4)[C@@H]3C2)[nH]1 ZINC001042015936 1231832451 /nfs/dbraw/zinc/83/24/51/1231832451.db2.gz MLYBAZWGJHPDJD-BLLLJJGKSA-N 1 2 341.440 2.079 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4cscn4)[C@@H]3C2)[nH]1 ZINC001042015936 1231832453 /nfs/dbraw/zinc/83/24/53/1231832453.db2.gz MLYBAZWGJHPDJD-BLLLJJGKSA-N 1 2 341.440 2.079 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3nc(CC)no3)[C@H]2C1 ZINC001042182822 1231941393 /nfs/dbraw/zinc/94/13/93/1231941393.db2.gz MTAMJKLMFQFTCS-KBPBESRZSA-N 1 2 332.448 2.267 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3nc(CC)no3)[C@H]2C1 ZINC001042182822 1231941395 /nfs/dbraw/zinc/94/13/95/1231941395.db2.gz MTAMJKLMFQFTCS-KBPBESRZSA-N 1 2 332.448 2.267 20 30 EEEDLO COc1cccc([C@H](C)[NH+]2CC(N(C)C(=O)c3ccc(C#N)[nH]3)C2)c1 ZINC001042628264 1232124820 /nfs/dbraw/zinc/12/48/20/1232124820.db2.gz DYNWBAVOCNFXKN-ZDUSSCGKSA-N 1 2 338.411 2.412 20 30 EEEDLO CN(C(=O)c1cccc2[nH+]ccn21)C1CN(CC#Cc2ccccc2)C1 ZINC001043328719 1232384286 /nfs/dbraw/zinc/38/42/86/1232384286.db2.gz UHCBIHMJCSRUKG-UHFFFAOYSA-N 1 2 344.418 2.142 20 30 EEEDLO C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(C#N)nc2)C1)n1cc[nH+]c1 ZINC001043542675 1232478348 /nfs/dbraw/zinc/47/83/48/1232478348.db2.gz GDRNBCZFUSGHLZ-CKEIUWERSA-N 1 2 338.415 2.060 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](CCc3ccccc3F)C2)c1 ZINC001043822126 1232592324 /nfs/dbraw/zinc/59/23/24/1232592324.db2.gz RTCISNVGIKXRME-UHFFFAOYSA-N 1 2 337.398 2.201 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](CCc2ccns2)C1 ZINC001044029593 1232679766 /nfs/dbraw/zinc/67/97/66/1232679766.db2.gz QSDJVNUBMDDIOG-IRXDYDNUSA-N 1 2 349.500 2.200 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2c(o1)CCCC2 ZINC001045736385 1233938214 /nfs/dbraw/zinc/93/82/14/1233938214.db2.gz ZSPWPYFOLCCNNX-ZNMIVQPWSA-N 1 2 342.443 2.278 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2c(o1)CCCC2 ZINC001045736385 1233938216 /nfs/dbraw/zinc/93/82/16/1233938216.db2.gz ZSPWPYFOLCCNNX-ZNMIVQPWSA-N 1 2 342.443 2.278 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(CC)n1C ZINC001045826693 1234041352 /nfs/dbraw/zinc/04/13/52/1234041352.db2.gz DDPFFQCLEHWFKW-CABCVRRESA-N 1 2 345.491 2.155 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(CC)n1C ZINC001045826693 1234041354 /nfs/dbraw/zinc/04/13/54/1234041354.db2.gz DDPFFQCLEHWFKW-CABCVRRESA-N 1 2 345.491 2.155 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccon1 ZINC001045863042 1234085724 /nfs/dbraw/zinc/08/57/24/1234085724.db2.gz JEOKPSRBMHMSNI-OWSLCNJRSA-N 1 2 345.443 2.221 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccon1 ZINC001045863042 1234085726 /nfs/dbraw/zinc/08/57/26/1234085726.db2.gz JEOKPSRBMHMSNI-OWSLCNJRSA-N 1 2 345.443 2.221 20 30 EEEDLO Cc1ncoc1C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046219449 1234566361 /nfs/dbraw/zinc/56/63/61/1234566361.db2.gz WQIYKBKPDLDTPM-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ncoc1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046219449 1234566364 /nfs/dbraw/zinc/56/63/64/1234566364.db2.gz WQIYKBKPDLDTPM-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C1CCC(C(=O)N(C)CCCN(C)C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001067667569 1249387482 /nfs/dbraw/zinc/38/74/82/1249387482.db2.gz XLGIJDVGWVPYDP-UHFFFAOYSA-N 1 2 346.475 2.396 20 30 EEEDLO C=C1CCC(C(=O)N(C)CCCN(C)C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001067667569 1249387486 /nfs/dbraw/zinc/38/74/86/1249387486.db2.gz XLGIJDVGWVPYDP-UHFFFAOYSA-N 1 2 346.475 2.396 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnn3cc(OC)ccc23)C1 ZINC001046705595 1235092115 /nfs/dbraw/zinc/09/21/15/1235092115.db2.gz BYFXFHCAMOIYBV-QGZVFWFLSA-N 1 2 348.834 2.290 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnn3cc(OC)ccc23)C1 ZINC001046705595 1235092116 /nfs/dbraw/zinc/09/21/16/1235092116.db2.gz BYFXFHCAMOIYBV-QGZVFWFLSA-N 1 2 348.834 2.290 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001067711780 1249414157 /nfs/dbraw/zinc/41/41/57/1249414157.db2.gz GLVSISOJFQHHHK-BZUAXINKSA-N 1 2 346.475 2.422 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001067711780 1249414165 /nfs/dbraw/zinc/41/41/65/1249414165.db2.gz GLVSISOJFQHHHK-BZUAXINKSA-N 1 2 346.475 2.422 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC001046780822 1235178938 /nfs/dbraw/zinc/17/89/38/1235178938.db2.gz AZNBIPJQOJRHDE-SFHVURJKSA-N 1 2 349.862 2.335 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC001046780822 1235178939 /nfs/dbraw/zinc/17/89/39/1235178939.db2.gz AZNBIPJQOJRHDE-SFHVURJKSA-N 1 2 349.862 2.335 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](Cc3nc(C)c(C)o3)C2)nc1 ZINC001046781851 1235180281 /nfs/dbraw/zinc/18/02/81/1235180281.db2.gz RBUXKXGPDJKLCP-LJQANCHMSA-N 1 2 338.411 2.062 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](Cc3nc(C)c(C)o3)C2)nc1 ZINC001046781851 1235180284 /nfs/dbraw/zinc/18/02/84/1235180284.db2.gz RBUXKXGPDJKLCP-LJQANCHMSA-N 1 2 338.411 2.062 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3nc(C)cs3)C2)cn1 ZINC001046782749 1235180899 /nfs/dbraw/zinc/18/08/99/1235180899.db2.gz FLYMSNNLZAMSKU-SFHVURJKSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](Cc3nc(C)cs3)C2)cn1 ZINC001046782749 1235180900 /nfs/dbraw/zinc/18/09/00/1235180900.db2.gz FLYMSNNLZAMSKU-SFHVURJKSA-N 1 2 340.452 2.222 20 30 EEEDLO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001046988850 1235398756 /nfs/dbraw/zinc/39/87/56/1235398756.db2.gz SEKGXHFWWVSEDR-ZDUSSCGKSA-N 1 2 338.402 2.162 20 30 EEEDLO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001046988850 1235398760 /nfs/dbraw/zinc/39/87/60/1235398760.db2.gz SEKGXHFWWVSEDR-ZDUSSCGKSA-N 1 2 338.402 2.162 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001096220076 1236261936 /nfs/dbraw/zinc/26/19/36/1236261936.db2.gz CPWBHRFPEGMLDV-KGLIPLIRSA-N 1 2 342.447 2.051 20 30 EEEDLO CC/C=C(/C)C(=O)NCC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC001096268645 1236889914 /nfs/dbraw/zinc/88/99/14/1236889914.db2.gz KCEFSWCQWGRVAT-WCSRMQSCSA-N 1 2 344.434 2.292 20 30 EEEDLO NC(=[NH+]OC[C@@H]1CNC(=O)C1)c1ccc(OCc2ccccc2)cc1 ZINC000902224631 1237242260 /nfs/dbraw/zinc/24/22/60/1237242260.db2.gz ZREVUOCLUOMNKG-HNNXBMFYSA-N 1 2 339.395 2.039 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001067853222 1239373438 /nfs/dbraw/zinc/37/34/38/1239373438.db2.gz QOTYVFYUXYKHRQ-UHFFFAOYSA-N 1 2 334.464 2.182 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C(C)(C)C)[nH]3)C[C@@H]2C1 ZINC001048979571 1239644490 /nfs/dbraw/zinc/64/44/90/1239644490.db2.gz WYJWIHFWEVDXNR-OKILXGFUSA-N 1 2 345.491 2.205 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C(C)(C)C)[nH]3)C[C@@H]2C1 ZINC001048979571 1239644499 /nfs/dbraw/zinc/64/44/99/1239644499.db2.gz WYJWIHFWEVDXNR-OKILXGFUSA-N 1 2 345.491 2.205 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001056705066 1239692364 /nfs/dbraw/zinc/69/23/64/1239692364.db2.gz MXTBIVJUJVNUML-HLLBOEOZSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H]([NH2+]Cc3nc(CC)no3)C2)CC1 ZINC001000086711 1239917745 /nfs/dbraw/zinc/91/77/45/1239917745.db2.gz CYBNQKVUQKTVQD-OAHLLOKOSA-N 1 2 332.448 2.459 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001057057404 1241518029 /nfs/dbraw/zinc/51/80/29/1241518029.db2.gz UIMVORYGOHGXSU-OAHLLOKOSA-N 1 2 325.416 2.123 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cnn(CC3CC3)c2)CC1 ZINC001001347608 1242104767 /nfs/dbraw/zinc/10/47/67/1242104767.db2.gz MSMMLTUIMOPGIL-UHFFFAOYSA-N 1 2 334.851 2.408 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cnn(CC3CC3)c2)CC1 ZINC001001347608 1242104779 /nfs/dbraw/zinc/10/47/79/1242104779.db2.gz MSMMLTUIMOPGIL-UHFFFAOYSA-N 1 2 334.851 2.408 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)CCCN(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001067917740 1249968493 /nfs/dbraw/zinc/96/84/93/1249968493.db2.gz BHJQYCAVXNGKTK-UHFFFAOYSA-N 1 2 346.475 2.016 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cc(C(C)C)on2)C1 ZINC001073716636 1242678555 /nfs/dbraw/zinc/67/85/55/1242678555.db2.gz ICPSUOYWASGTPE-CYBMUJFWSA-N 1 2 341.839 2.371 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cc(C(C)C)on2)C1 ZINC001073716636 1242678562 /nfs/dbraw/zinc/67/85/62/1242678562.db2.gz ICPSUOYWASGTPE-CYBMUJFWSA-N 1 2 341.839 2.371 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@H](C)C2)C1 ZINC001073926927 1242776826 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C/C=C(\C)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC001149503953 1315978591 /nfs/dbraw/zinc/97/85/91/1315978591.db2.gz DGXYRQSRPZBKIR-ZTWVHDNBSA-N 1 2 345.418 2.371 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1C[N@H+](Cc2nc(C)oc2C)CCCO1 ZINC001149796801 1316051366 /nfs/dbraw/zinc/05/13/66/1316051366.db2.gz PEULSAZWTFRSMF-INIZCTEOSA-N 1 2 335.448 2.355 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1C[N@@H+](Cc2nc(C)oc2C)CCCO1 ZINC001149796801 1316051371 /nfs/dbraw/zinc/05/13/71/1316051371.db2.gz PEULSAZWTFRSMF-INIZCTEOSA-N 1 2 335.448 2.355 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2nocc2C)CCCO1 ZINC001150165495 1316186621 /nfs/dbraw/zinc/18/66/21/1316186621.db2.gz LWJUTWPTVBJQAB-JKSUJKDBSA-N 1 2 335.448 2.292 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2nocc2C)CCCO1 ZINC001150165495 1316186625 /nfs/dbraw/zinc/18/66/25/1316186625.db2.gz LWJUTWPTVBJQAB-JKSUJKDBSA-N 1 2 335.448 2.292 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2ccccc2C)C1 ZINC001150693203 1316345824 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338.448 2.317 20 30 EEEDLO CN(CC#N)C[C@H]1CCCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001158689266 1319378427 /nfs/dbraw/zinc/37/84/27/1319378427.db2.gz IAEQVWXZMDJFOJ-GOSISDBHSA-N 1 2 337.427 2.322 20 30 EEEDLO CCCCCC[NH+]1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC001259121649 1319449733 /nfs/dbraw/zinc/44/97/33/1319449733.db2.gz ZOHUAYHMXJZPQG-UHFFFAOYSA-N 1 2 335.473 2.445 20 30 EEEDLO C=CCCOCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1ncccn1 ZINC001158966486 1319536766 /nfs/dbraw/zinc/53/67/66/1319536766.db2.gz JWIPQQZBGJNZGF-DLBZAZTESA-N 1 2 346.475 2.443 20 30 EEEDLO C=CCCOCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1ncccn1 ZINC001158966486 1319536775 /nfs/dbraw/zinc/53/67/75/1319536775.db2.gz JWIPQQZBGJNZGF-DLBZAZTESA-N 1 2 346.475 2.443 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)c2ccn[nH]2)CC1 ZINC001159346250 1319754381 /nfs/dbraw/zinc/75/43/81/1319754381.db2.gz VTNIBCZDQYJODN-UHFFFAOYSA-N 1 2 339.237 2.070 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)c2ccn[nH]2)CC1 ZINC001159346250 1319754384 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C=CC1CCN(c2nnc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)n2C)CC1 ZINC001338507725 1336870003 /nfs/dbraw/zinc/87/00/03/1336870003.db2.gz WMHHYDDAJAUNQL-CVEARBPZSA-N 1 2 331.464 2.143 20 30 EEEDLO C=CC1CCN(c2nnc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)n2C)CC1 ZINC001338507725 1336870004 /nfs/dbraw/zinc/87/00/04/1336870004.db2.gz WMHHYDDAJAUNQL-CVEARBPZSA-N 1 2 331.464 2.143 20 30 EEEDLO C=CCn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1C(C)(C)O ZINC001340547322 1337205280 /nfs/dbraw/zinc/20/52/80/1337205280.db2.gz MCEUZMWPLBSTDX-UHFFFAOYSA-N 1 2 342.447 2.167 20 30 EEEDLO C#CCN(CC)c1nnc([C@@H]2CCC[N@@H+]2C)n1C[C@H]1CCCCO1 ZINC001344256976 1337386310 /nfs/dbraw/zinc/38/63/10/1337386310.db2.gz NSDBHKOEOMUCPM-CVEARBPZSA-N 1 2 331.464 2.073 20 30 EEEDLO C#CCN(CC)c1nnc([C@@H]2CCC[N@H+]2C)n1C[C@H]1CCCCO1 ZINC001344256976 1337386311 /nfs/dbraw/zinc/38/63/11/1337386311.db2.gz NSDBHKOEOMUCPM-CVEARBPZSA-N 1 2 331.464 2.073 20 30 EEEDLO Cc1nc(N(C)CCNC(=O)CC#Cc2ccccc2)c(C)c(C)[nH+]1 ZINC001100144073 1338065587 /nfs/dbraw/zinc/06/55/87/1338065587.db2.gz NAHFAUVGHDBWSL-UHFFFAOYSA-N 1 2 336.439 2.396 20 30 EEEDLO C[C@@H](CC(=O)NCCN(C)c1cccc(F)c1C#N)n1cc[nH+]c1 ZINC001100350854 1338297497 /nfs/dbraw/zinc/29/74/97/1338297497.db2.gz ZYWSPSXDOMNTFT-ZDUSSCGKSA-N 1 2 329.379 2.098 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC1CC([NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC001100367463 1338316345 /nfs/dbraw/zinc/31/63/45/1338316345.db2.gz IHUMATHTGHNFOG-UHFFFAOYSA-N 1 2 348.495 2.015 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc(C[NH+]2CCCCC2)n1CCCOCC ZINC001357311534 1338979879 /nfs/dbraw/zinc/97/98/79/1338979879.db2.gz DNRKUHQAROMRJZ-INIZCTEOSA-N 1 2 333.480 2.149 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]Cc4c[nH]nn4)[C@H]3C2)CC1 ZINC001575061171 1343726298 /nfs/dbraw/zinc/72/62/98/1343726298.db2.gz CXHVTMXYDYCOQZ-RYQLBKOJSA-N 1 2 343.475 2.268 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]Cc4cn[nH]n4)[C@H]3C2)CC1 ZINC001575061171 1343726299 /nfs/dbraw/zinc/72/62/99/1343726299.db2.gz CXHVTMXYDYCOQZ-RYQLBKOJSA-N 1 2 343.475 2.268 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001588401700 1348901196 /nfs/dbraw/zinc/90/11/96/1348901196.db2.gz XCJFKTGRQPSWIV-HSMVNMDESA-N 1 2 329.404 2.204 20 30 EEEDLO CCOCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001665043437 1355267362 /nfs/dbraw/zinc/26/73/62/1355267362.db2.gz JJWGZHKLFIPFQT-INIZCTEOSA-N 1 2 333.407 2.205 20 30 EEEDLO CCOCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001665043437 1355267366 /nfs/dbraw/zinc/26/73/66/1355267366.db2.gz JJWGZHKLFIPFQT-INIZCTEOSA-N 1 2 333.407 2.205 20 30 EEEDLO CC(C)(C)C#CC(=O)NCC1CC([NH2+]Cc2nnsc2Cl)C1 ZINC001100317448 1367361244 /nfs/dbraw/zinc/36/12/44/1367361244.db2.gz VLAIWPHKYGVMDK-UHFFFAOYSA-N 1 2 340.880 2.225 20 30 EEEDLO Cc1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)c(C)n1 ZINC001032688240 1367604982 /nfs/dbraw/zinc/60/49/82/1367604982.db2.gz NPAUZIPUJYGDGC-ROUUACIJSA-N 1 2 347.422 2.064 20 30 EEEDLO Cc1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)c(C)n1 ZINC001032688240 1367604988 /nfs/dbraw/zinc/60/49/88/1367604988.db2.gz NPAUZIPUJYGDGC-ROUUACIJSA-N 1 2 347.422 2.064 20 30 EEEDLO CC(C)[C@@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)CCCO1 ZINC000815317943 1367967592 /nfs/dbraw/zinc/96/75/92/1367967592.db2.gz XJAZBYACUHQFLJ-KRWDZBQOSA-N 1 2 340.427 2.167 20 30 EEEDLO CC(C)[C@@H]1C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)CCCO1 ZINC000815317943 1367967599 /nfs/dbraw/zinc/96/75/99/1367967599.db2.gz XJAZBYACUHQFLJ-KRWDZBQOSA-N 1 2 340.427 2.167 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2noc(CC)n2)C12CCC2 ZINC001203281855 1368318423 /nfs/dbraw/zinc/31/84/23/1368318423.db2.gz SCLXTLGJZUQOJN-HUUCEWRRSA-N 1 2 344.459 2.343 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2c(F)cccc2F)C1 ZINC001190095249 1368391859 /nfs/dbraw/zinc/39/18/59/1368391859.db2.gz RUSXGNJQQZVPCW-KGLIPLIRSA-N 1 2 336.382 2.036 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2c(F)cccc2F)C1 ZINC001190095249 1368391865 /nfs/dbraw/zinc/39/18/65/1368391865.db2.gz 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ZINC001073200645 1370832924 /nfs/dbraw/zinc/83/29/24/1370832924.db2.gz IWYQGOYELYURHG-CABCVRRESA-N 1 2 346.475 2.298 20 30 EEEDLO CC(C)(C)CC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC001099680112 1371003654 /nfs/dbraw/zinc/00/36/54/1371003654.db2.gz AYSGBGIZEUEAGS-IRXDYDNUSA-N 1 2 347.434 2.185 20 30 EEEDLO CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC001099680112 1371003656 /nfs/dbraw/zinc/00/36/56/1371003656.db2.gz AYSGBGIZEUEAGS-IRXDYDNUSA-N 1 2 347.434 2.185 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001111899661 1371292293 /nfs/dbraw/zinc/29/22/93/1371292293.db2.gz RNCRDMXVNNHDPD-IFIJOSMWSA-N 1 2 336.867 2.312 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001111899661 1371292298 /nfs/dbraw/zinc/29/22/98/1371292298.db2.gz RNCRDMXVNNHDPD-IFIJOSMWSA-N 1 2 336.867 2.312 20 30 EEEDLO CC(F)(F)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001389481899 1388145592 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ZINC001393122457 1390330561 /nfs/dbraw/zinc/33/05/61/1390330561.db2.gz NQPQWBKMVPZFCO-QGZVFWFLSA-N 1 2 338.835 2.407 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCc2nc(C(C)C)no2)C1 ZINC001398238023 1391989864 /nfs/dbraw/zinc/98/98/64/1391989864.db2.gz TXSINTIKMNRZGM-ZDUSSCGKSA-N 1 2 340.855 2.459 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCc2nc(C(C)C)no2)C1 ZINC001398238023 1391989955 /nfs/dbraw/zinc/98/99/55/1391989955.db2.gz TXSINTIKMNRZGM-ZDUSSCGKSA-N 1 2 340.855 2.459 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+](CCNC(=O)[C@@H]2CC2(F)F)C2CC2)c1 ZINC001400005035 1395798633 /nfs/dbraw/zinc/79/86/33/1395798633.db2.gz LJARDHYLIJFKAL-AWEZNQCLSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+](CCNC(=O)[C@@H]2CC2(F)F)C2CC2)c1 ZINC001400005035 1395798637 /nfs/dbraw/zinc/79/86/37/1395798637.db2.gz LJARDHYLIJFKAL-AWEZNQCLSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)COC3CCCC3)C2)c(F)c1 ZINC001400472201 1396365635 /nfs/dbraw/zinc/36/56/35/1396365635.db2.gz 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C=C[C@](C)(CC)C(=O)N1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001756888673 1409455398 /nfs/dbraw/zinc/45/53/98/1409455398.db2.gz DSVZQHKWILFUAI-LJQANCHMSA-N 1 2 344.459 2.220 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC001757229243 1409591984 /nfs/dbraw/zinc/59/19/84/1409591984.db2.gz BMOAGQMKUZZEMK-GDBMZVCRSA-N 1 2 344.459 2.004 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC001757229243 1409591989 /nfs/dbraw/zinc/59/19/89/1409591989.db2.gz BMOAGQMKUZZEMK-GDBMZVCRSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CCN1C(=O)CCc1c[nH+]cn1C ZINC001757296873 1409639486 /nfs/dbraw/zinc/63/94/86/1409639486.db2.gz JFSXCIZEXFFOMO-MRXNPFEDSA-N 1 2 346.475 2.014 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCCN(CC)c1ncnc2c1C[N@H+](C)CC2 ZINC001100682901 1410695314 /nfs/dbraw/zinc/69/53/14/1410695314.db2.gz HJLQHRINDYARCA-OAHLLOKOSA-N 1 2 345.491 2.009 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCCN(CC)c1ncnc2c1C[N@@H+](C)CC2 ZINC001100682901 1410695318 /nfs/dbraw/zinc/69/53/18/1410695318.db2.gz HJLQHRINDYARCA-OAHLLOKOSA-N 1 2 345.491 2.009 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[C@@]2(C1)CCCN(c1cc[nH+]c(C)n1)C2 ZINC001110456859 1410819197 /nfs/dbraw/zinc/81/91/97/1410819197.db2.gz NCSNAZXKIVAXKV-BEFAXECRSA-N 1 2 344.459 2.195 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC(CC)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001069544750 1411057725 /nfs/dbraw/zinc/05/77/25/1411057725.db2.gz VYTDLKKDEGTNGA-CVEARBPZSA-N 1 2 346.475 2.229 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cc(C3CC3)no2)C1 ZINC001032016601 782368404 /nfs/dbraw/zinc/36/84/04/782368404.db2.gz QGWGUYRVARTPHV-UHFFFAOYSA-N 1 2 336.395 2.285 20 30 EEEDLO CC[C@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001212182834 790300111 /nfs/dbraw/zinc/30/01/11/790300111.db2.gz MRXITDIFEQCLCC-MORSLUCNSA-N 1 2 347.434 2.449 20 30 EEEDLO CC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001212182834 790300117 /nfs/dbraw/zinc/30/01/17/790300117.db2.gz 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C=C[C@H](CC)CC(=O)NC[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CCO1 ZINC001104339437 759567372 /nfs/dbraw/zinc/56/73/72/759567372.db2.gz GMYKNOPEHMJUPU-SJORKVTESA-N 1 2 346.475 2.326 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CN(c2cc(C)[nH+]c(CC)n2)CCO1 ZINC001104345919 759612284 /nfs/dbraw/zinc/61/22/84/759612284.db2.gz ABZBLQFIOALPAZ-HNNXBMFYSA-N 1 2 346.475 2.271 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3coc(C4CCCC4)n3)[C@H]2C1 ZINC001083236577 760181706 /nfs/dbraw/zinc/18/17/06/760181706.db2.gz KIUITUJWFGDYIX-JKSUJKDBSA-N 1 2 331.416 2.043 20 30 EEEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3coc(C4CCCC4)n3)[C@H]2C1 ZINC001083236577 760181712 /nfs/dbraw/zinc/18/17/12/760181712.db2.gz KIUITUJWFGDYIX-JKSUJKDBSA-N 1 2 331.416 2.043 20 30 EEEDLO C[C@H](CNc1ccc(C#N)nc1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001104730158 764851304 /nfs/dbraw/zinc/85/13/04/764851304.db2.gz GHKQFNRYSZXZMS-CYBMUJFWSA-N 1 2 334.383 2.174 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001104764100 765241663 /nfs/dbraw/zinc/24/16/63/765241663.db2.gz OBBNZHPASQGMGV-GFCCVEGCSA-N 1 2 334.468 2.107 20 30 EEEDLO C[C@H](CNc1ccc(C#N)cn1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001104866223 765466944 /nfs/dbraw/zinc/46/69/44/765466944.db2.gz XNNKXDYYZPKFKR-GFCCVEGCSA-N 1 2 334.383 2.402 20 30 EEEDLO C[C@@H](CNc1cccc(F)c1C#N)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001104871553 765473377 /nfs/dbraw/zinc/47/33/77/765473377.db2.gz PONLSGUAWIVFGA-YNEHKIRRSA-N 1 2 341.390 2.483 20 30 EEEDLO C[C@@H](CNc1cccc(F)c1C#N)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001104871553 765473379 /nfs/dbraw/zinc/47/33/79/765473379.db2.gz PONLSGUAWIVFGA-YNEHKIRRSA-N 1 2 341.390 2.483 20 30 EEEDLO Cc1nsc(NC[C@@H](C)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1C#N ZINC001104870998 765476158 /nfs/dbraw/zinc/47/61/58/765476158.db2.gz GJMRIDZNGHFNKR-YUSALJHKSA-N 1 2 344.444 2.109 20 30 EEEDLO Cc1nsc(NC[C@@H](C)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1C#N ZINC001104870998 765476162 /nfs/dbraw/zinc/47/61/62/765476162.db2.gz GJMRIDZNGHFNKR-YUSALJHKSA-N 1 2 344.444 2.109 20 30 EEEDLO C[C@H](CNc1cccc(F)c1C#N)N(C)C(=O)CCc1[nH+]ccn1C ZINC001104892052 765516735 /nfs/dbraw/zinc/51/67/35/765516735.db2.gz DYOCVMMESPEGSE-CYBMUJFWSA-N 1 2 343.406 2.322 20 30 EEEDLO C#Cc1cccc(NC(=O)CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000918343343 769051285 /nfs/dbraw/zinc/05/12/85/769051285.db2.gz AQGDSCDGJFLYOR-UHFFFAOYSA-N 1 2 344.374 2.222 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001089442297 769242018 /nfs/dbraw/zinc/24/20/18/769242018.db2.gz UAACIJANHOREPV-NEPJUHHUSA-N 1 2 334.468 2.153 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H](Nc1[nH+]cnc2c1cnn2C)C(C)C ZINC001105232104 769400983 /nfs/dbraw/zinc/40/09/83/769400983.db2.gz HFNYEKKXVYHXIB-AWEZNQCLSA-N 1 2 330.436 2.272 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H](Nc1[nH+]cnc2c1cnn2C)C(C)C ZINC001105255828 769482724 /nfs/dbraw/zinc/48/27/24/769482724.db2.gz JDUXOXQQEBOYCL-ZDUSSCGKSA-N 1 2 330.436 2.128 20 30 EEEDLO 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EEEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)c1cnco1 ZINC001028052210 776849713 /nfs/dbraw/zinc/84/97/13/776849713.db2.gz BYLSOLWJFMAYCR-INIZCTEOSA-N 1 2 327.359 2.060 20 30 EEEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)c1cnco1 ZINC001028052210 776849721 /nfs/dbraw/zinc/84/97/21/776849721.db2.gz BYLSOLWJFMAYCR-INIZCTEOSA-N 1 2 327.359 2.060 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(CC)CCNc1[nH+]cnc2c1cnn2C ZINC001106915671 777125015 /nfs/dbraw/zinc/12/50/15/777125015.db2.gz QPSRXTSVWGQIRT-ZDUSSCGKSA-N 1 2 330.436 2.226 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C2CC=CC2)cc1C#N ZINC001038135847 777715982 /nfs/dbraw/zinc/71/59/82/777715982.db2.gz RISYGHDWWHZLSF-QGZVFWFLSA-N 1 2 325.412 2.224 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C2CC=CC2)cc1C#N ZINC001038135847 777715996 /nfs/dbraw/zinc/71/59/96/777715996.db2.gz RISYGHDWWHZLSF-QGZVFWFLSA-N 1 2 325.412 2.224 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091387591 790571911 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/nfs/dbraw/zinc/50/26/07/778502607.db2.gz LJVLQJJTQKZQGJ-RHSMWYFYSA-N 1 2 347.484 2.327 20 30 EEEDLO Cc1noc([C@H](C)[N@@H+]2C[C@@]3(C)CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)n1 ZINC000982278459 779501175 /nfs/dbraw/zinc/50/11/75/779501175.db2.gz DPDRKWKTQHIMCS-FASAQXTFSA-N 1 2 342.443 2.023 20 30 EEEDLO Cc1noc([C@H](C)[N@H+]2C[C@@]3(C)CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)n1 ZINC000982278459 779501177 /nfs/dbraw/zinc/50/11/77/779501177.db2.gz DPDRKWKTQHIMCS-FASAQXTFSA-N 1 2 342.443 2.023 20 30 EEEDLO C[C@H](CCCNc1ncc(C#N)cc1Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC001114983342 779706886 /nfs/dbraw/zinc/70/68/86/779706886.db2.gz HJFZFHBEXPCHTK-LLVKDONJSA-N 1 2 346.822 2.269 20 30 EEEDLO Cc1nc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)cs1 ZINC001031920957 779719856 /nfs/dbraw/zinc/71/98/56/779719856.db2.gz UJLVJDVRBLSUPE-UHFFFAOYSA-N 1 2 344.415 2.324 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2nc(C)c(C)o2)nc1 ZINC001028269009 779822285 /nfs/dbraw/zinc/82/22/85/779822285.db2.gz CUMUVNHJHLQRMH-MRXNPFEDSA-N 1 2 338.411 2.062 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2nc(C)c(C)o2)nc1 ZINC001028269009 779822292 /nfs/dbraw/zinc/82/22/92/779822292.db2.gz CUMUVNHJHLQRMH-MRXNPFEDSA-N 1 2 338.411 2.062 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001032000763 781912640 /nfs/dbraw/zinc/91/26/40/781912640.db2.gz WMBXSIAUFTUXHL-UHFFFAOYSA-N 1 2 335.411 2.021 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(C(F)F)nn2C)C1 ZINC001033269049 783284963 /nfs/dbraw/zinc/28/49/63/783284963.db2.gz UZGKNVVMIGRSIP-JTQLQIEISA-N 1 2 332.782 2.257 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C(F)F)nn2C)C1 ZINC001033269049 783284972 /nfs/dbraw/zinc/28/49/72/783284972.db2.gz UZGKNVVMIGRSIP-JTQLQIEISA-N 1 2 332.782 2.257 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)on2)C1 ZINC001131940199 783498341 /nfs/dbraw/zinc/49/83/41/783498341.db2.gz ZZCPCHSCMODYFO-GDBMZVCRSA-N 1 2 335.448 2.435 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C)on2)C1 ZINC001131940199 783498346 /nfs/dbraw/zinc/49/83/46/783498346.db2.gz ZZCPCHSCMODYFO-GDBMZVCRSA-N 1 2 335.448 2.435 20 30 EEEDLO C=CCOCCCC(=O)NCC[NH2+][C@H](C)c1nc(CCCC)no1 ZINC001125259750 783672314 /nfs/dbraw/zinc/67/23/14/783672314.db2.gz CUYJACUJJDTZOM-CQSZACIVSA-N 1 2 338.452 2.162 20 30 EEEDLO C#CCC1(C(=O)NCC[NH2+][C@@H](C)c2nnc(CC(C)C)o2)CCC1 ZINC001129125086 784100374 /nfs/dbraw/zinc/10/03/74/784100374.db2.gz LSCLIBPOUVBWJL-AWEZNQCLSA-N 1 2 332.448 2.229 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(OCCC)c2)C1 ZINC001035389649 784430042 /nfs/dbraw/zinc/43/00/42/784430042.db2.gz DAXBHVVZOSEBIS-SFHVURJKSA-N 1 2 332.444 2.482 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(OCCC)c2)C1 ZINC001035389649 784430048 /nfs/dbraw/zinc/43/00/48/784430048.db2.gz DAXBHVVZOSEBIS-SFHVURJKSA-N 1 2 332.444 2.482 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC001035465186 784588416 /nfs/dbraw/zinc/58/84/16/784588416.db2.gz GQPWIGDBLZXPFC-ZDUSSCGKSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC001035465186 784588424 /nfs/dbraw/zinc/58/84/24/784588424.db2.gz GQPWIGDBLZXPFC-ZDUSSCGKSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnccc2C(F)(F)F)C1 ZINC001035523303 784668139 /nfs/dbraw/zinc/66/81/39/784668139.db2.gz QGXQOZAWLYLXEL-LBPRGKRZSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnccc2C(F)(F)F)C1 ZINC001035523303 784668145 /nfs/dbraw/zinc/66/81/45/784668145.db2.gz QGXQOZAWLYLXEL-LBPRGKRZSA-N 1 2 343.349 2.107 20 30 EEEDLO CCN(CC)S(=O)(=O)c1ccc(NNC=CC(F)(F)F)[nH+]c1 ZINC000817324047 784687007 /nfs/dbraw/zinc/68/70/07/784687007.db2.gz OSKNEHUNPOFXJY-UHFFFAOYSA-N 1 2 338.355 2.462 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2coc(C3CCCC3)n2)C1 ZINC001035566512 784694715 /nfs/dbraw/zinc/69/47/15/784694715.db2.gz WNSZKRQCRJEKAP-OAHLLOKOSA-N 1 2 333.432 2.339 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2coc(C3CCCC3)n2)C1 ZINC001035566512 784694720 /nfs/dbraw/zinc/69/47/20/784694720.db2.gz WNSZKRQCRJEKAP-OAHLLOKOSA-N 1 2 333.432 2.339 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCc3sc(C)nc32)C1 ZINC001035574613 784711645 /nfs/dbraw/zinc/71/16/45/784711645.db2.gz RSXIMCYFGOVNEI-CABCVRRESA-N 1 2 349.500 2.265 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCc3sc(C)nc32)C1 ZINC001035574613 784711650 /nfs/dbraw/zinc/71/16/50/784711650.db2.gz RSXIMCYFGOVNEI-CABCVRRESA-N 1 2 349.500 2.265 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2oc3ccccc3c2CC)C1 ZINC001035623789 784816427 /nfs/dbraw/zinc/81/64/27/784816427.db2.gz FGDMWPZMNNHIEJ-HNNXBMFYSA-N 1 2 340.423 2.449 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2oc3ccccc3c2CC)C1 ZINC001035623789 784816432 /nfs/dbraw/zinc/81/64/32/784816432.db2.gz FGDMWPZMNNHIEJ-HNNXBMFYSA-N 1 2 340.423 2.449 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2sc(C(C)(C)C)nc2C)C1 ZINC001035623409 784816546 /nfs/dbraw/zinc/81/65/46/784816546.db2.gz YCYKAAZCCMRPRC-AWEZNQCLSA-N 1 2 349.500 2.203 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2sc(C(C)(C)C)nc2C)C1 ZINC001035623409 784816555 /nfs/dbraw/zinc/81/65/55/784816555.db2.gz YCYKAAZCCMRPRC-AWEZNQCLSA-N 1 2 349.500 2.203 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(F)c3occc32)C1 ZINC001035607774 784842530 /nfs/dbraw/zinc/84/25/30/784842530.db2.gz WVULJIOJDCWFLR-ZDUSSCGKSA-N 1 2 330.359 2.026 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(F)c3occc32)C1 ZINC001035607774 784842535 /nfs/dbraw/zinc/84/25/35/784842535.db2.gz WVULJIOJDCWFLR-ZDUSSCGKSA-N 1 2 330.359 2.026 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC2(C[NH+](Cc3ccnc(OC)n3)C2)CC1 ZINC001035765767 785084911 /nfs/dbraw/zinc/08/49/11/785084911.db2.gz DAJBJEXVXKXATA-UHFFFAOYSA-N 1 2 344.459 2.122 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(C[NH+](Cc3nccs3)C2)CC1 ZINC001035800836 785192424 /nfs/dbraw/zinc/19/24/24/785192424.db2.gz OFQUJDQZKUOJNM-CABCVRRESA-N 1 2 347.484 2.159 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000946002027 785278862 /nfs/dbraw/zinc/27/88/62/785278862.db2.gz QGSSKVWPYFAICS-ZBFHGGJFSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)c1cnn(C)c1)CC2 ZINC001035864530 785315200 /nfs/dbraw/zinc/31/52/00/785315200.db2.gz HQZCZPCRUUYXID-AWEZNQCLSA-N 1 2 336.867 2.201 20 30 EEEDLO COc1cccc(S(C)(=O)=O)c1N=NCc1c[nH+]cn1C(C)C ZINC000819812028 785677215 /nfs/dbraw/zinc/67/72/15/785677215.db2.gz IPWQFAJLTOWYBK-UHFFFAOYSA-N 1 2 336.417 2.322 20 30 EEEDLO C=CCCC(=O)NCc1cn(C2C[NH+](Cc3ccc(C)cc3)C2)nn1 ZINC001107142518 786071027 /nfs/dbraw/zinc/07/10/27/786071027.db2.gz HTAWDHLPDFWMOX-UHFFFAOYSA-N 1 2 339.443 2.226 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)c3cccs3)nn2)C1 ZINC001107211030 786411381 /nfs/dbraw/zinc/41/13/81/786411381.db2.gz IWERNRZYZAKKKW-ZDUSSCGKSA-N 1 2 345.472 2.192 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](CC)CC(C)C)nn2)C1 ZINC001107227050 786500906 /nfs/dbraw/zinc/50/09/06/786500906.db2.gz BQQMXNXVXLDQSI-OAHLLOKOSA-N 1 2 333.480 2.399 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C(C)(C)C(C)(F)F)nn2)C1 ZINC001107233069 786548060 /nfs/dbraw/zinc/54/80/60/786548060.db2.gz CGMNQXMBPWVIKK-UHFFFAOYSA-N 1 2 341.406 2.009 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)OC2(CC[NH+](Cc3ncccn3)CC2)C1 ZINC001111538580 786593608 /nfs/dbraw/zinc/59/36/08/786593608.db2.gz MJJPRDHRFQJOSN-MRXNPFEDSA-N 1 2 344.459 2.025 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(C)CCCNc1[nH+]cnc2c1cnn2C ZINC001109581986 805712960 /nfs/dbraw/zinc/71/29/60/805712960.db2.gz ZMVPFRBDRPSONU-ZDUSSCGKSA-N 1 2 330.436 2.226 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ncoc3C(C)C)C[C@@H]2O)C1 ZINC001090555395 786914570 /nfs/dbraw/zinc/91/45/70/786914570.db2.gz KAMIHHDBDFXDQL-ZBFHGGJFSA-N 1 2 347.459 2.206 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3ncoc3C(C)C)C[C@@H]2O)C1 ZINC001090555395 786914573 /nfs/dbraw/zinc/91/45/73/786914573.db2.gz KAMIHHDBDFXDQL-ZBFHGGJFSA-N 1 2 347.459 2.206 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3occc3s2)[C@@H](O)C1 ZINC001090570851 787009121 /nfs/dbraw/zinc/00/91/21/787009121.db2.gz VKATWXUURLFNJU-MNOVXSKESA-N 1 2 340.832 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3occc3s2)[C@@H](O)C1 ZINC001090570851 787009129 /nfs/dbraw/zinc/00/91/29/787009129.db2.gz VKATWXUURLFNJU-MNOVXSKESA-N 1 2 340.832 2.412 20 30 EEEDLO Cc1ccc(C#N)c(NC/C=C/CNC(=O)c2cccc3[nH+]ccn32)n1 ZINC001107412086 787185222 /nfs/dbraw/zinc/18/52/22/787185222.db2.gz YOZOVKDLKKVJLA-NSCUHMNNSA-N 1 2 346.394 2.308 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2csc(Cl)c2)[C@@H](O)C1 ZINC001090621804 787392534 /nfs/dbraw/zinc/39/25/34/787392534.db2.gz SSQUQPSCNKGLDG-MNOVXSKESA-N 1 2 335.256 2.319 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2csc(Cl)c2)[C@@H](O)C1 ZINC001090621804 787392543 /nfs/dbraw/zinc/39/25/43/787392543.db2.gz SSQUQPSCNKGLDG-MNOVXSKESA-N 1 2 335.256 2.319 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc2n(n1)CCC2 ZINC001109627394 805788472 /nfs/dbraw/zinc/78/84/72/805788472.db2.gz POFRYHMSPYNGHZ-NEWSRXKRSA-N 1 2 340.471 2.244 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc2n(n1)CCC2 ZINC001109627394 805788479 /nfs/dbraw/zinc/78/84/79/805788479.db2.gz POFRYHMSPYNGHZ-NEWSRXKRSA-N 1 2 340.471 2.244 20 30 EEEDLO C#CCCCC(=O)N1CCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001062167744 787524188 /nfs/dbraw/zinc/52/41/88/787524188.db2.gz PFZNTAKZFSZOTI-IAGOWNOFSA-N 1 2 344.459 2.135 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nnn1CC ZINC001109631541 805798905 /nfs/dbraw/zinc/79/89/05/805798905.db2.gz FOSBMLVTVHCRJT-ORQFMDKSSA-N 1 2 345.491 2.430 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nnn1CC ZINC001109631541 805798907 /nfs/dbraw/zinc/79/89/07/805798907.db2.gz FOSBMLVTVHCRJT-ORQFMDKSSA-N 1 2 345.491 2.430 20 30 EEEDLO Cc1nsc(NC/C=C\CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1C#N ZINC001107549123 787600614 /nfs/dbraw/zinc/60/06/14/787600614.db2.gz GXPNEZGKQNZYAJ-BYCRGOAPSA-N 1 2 344.444 2.009 20 30 EEEDLO Cc1nsc(NC/C=C\CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1C#N ZINC001107549123 787600618 /nfs/dbraw/zinc/60/06/18/787600618.db2.gz GXPNEZGKQNZYAJ-BYCRGOAPSA-N 1 2 344.444 2.009 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001111539492 787617977 /nfs/dbraw/zinc/61/79/77/787617977.db2.gz JLDMRCHCWVFEJI-ZFWWWQNUSA-N 1 2 346.475 2.353 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060771408 787815112 /nfs/dbraw/zinc/81/51/12/787815112.db2.gz RGVDOBQDIZNYIN-SHTZXODSSA-N 1 2 346.475 2.346 20 30 EEEDLO CN(CCCNc1cccc(F)c1C#N)C(=O)CCc1c[nH]c[nH+]1 ZINC001109652935 805829626 /nfs/dbraw/zinc/82/96/26/805829626.db2.gz IJKCKXIOVFUHTH-UHFFFAOYSA-N 1 2 329.379 2.314 20 30 EEEDLO CN(CCCNc1cccc(F)c1C#N)C(=O)CCc1c[nH+]c[nH]1 ZINC001109652935 805829636 /nfs/dbraw/zinc/82/96/36/805829636.db2.gz IJKCKXIOVFUHTH-UHFFFAOYSA-N 1 2 329.379 2.314 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(Cl)cc2)[C@H](O)C1 ZINC001090770866 788192636 /nfs/dbraw/zinc/19/26/36/788192636.db2.gz LWVCWIDLNXEVQJ-LSDHHAIUSA-N 1 2 343.254 2.186 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(Cl)cc2)[C@H](O)C1 ZINC001090770866 788192638 /nfs/dbraw/zinc/19/26/38/788192638.db2.gz LWVCWIDLNXEVQJ-LSDHHAIUSA-N 1 2 343.254 2.186 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3c(s2)CCC3)[C@@H](O)C1 ZINC001090780427 788233066 /nfs/dbraw/zinc/23/30/66/788233066.db2.gz KQTFMSXHOJGTGV-OLZOCXBDSA-N 1 2 340.876 2.154 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3c(s2)CCC3)[C@@H](O)C1 ZINC001090780427 788233072 /nfs/dbraw/zinc/23/30/72/788233072.db2.gz KQTFMSXHOJGTGV-OLZOCXBDSA-N 1 2 340.876 2.154 20 30 EEEDLO COc1cc(C[NH+]2CCN(c3cccc(F)n3)CC2)ccc1C#N ZINC000824815364 788313159 /nfs/dbraw/zinc/31/31/59/788313159.db2.gz MUAQUWJKIHFNOS-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCCCC)CC1 ZINC001109674452 805868343 /nfs/dbraw/zinc/86/83/43/805868343.db2.gz JUHFHCHKAHIUTE-SQNIBIBYSA-N 1 2 347.503 2.371 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCCCC)CC1 ZINC001109674452 805868350 /nfs/dbraw/zinc/86/83/50/805868350.db2.gz JUHFHCHKAHIUTE-SQNIBIBYSA-N 1 2 347.503 2.371 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(F)c(F)cc2F)C1 ZINC001108168289 788608071 /nfs/dbraw/zinc/60/80/71/788608071.db2.gz YSFIWPFJSYWOLP-MRXNPFEDSA-N 1 2 328.334 2.111 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(F)c(F)cc2F)C1 ZINC001108168289 788608081 /nfs/dbraw/zinc/60/80/81/788608081.db2.gz YSFIWPFJSYWOLP-MRXNPFEDSA-N 1 2 328.334 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C)OCCCC)C1 ZINC001149339492 788709857 /nfs/dbraw/zinc/70/98/57/788709857.db2.gz CMTHNMZXVCNIHB-GJZGRUSLSA-N 1 2 332.872 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C)OCCCC)C1 ZINC001149339492 788709860 /nfs/dbraw/zinc/70/98/60/788709860.db2.gz CMTHNMZXVCNIHB-GJZGRUSLSA-N 1 2 332.872 2.151 20 30 EEEDLO C[C@]1(CNC(=O)C2=CCCC2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107866613 788900791 /nfs/dbraw/zinc/90/07/91/788900791.db2.gz QXKVBTHOBHLCNU-FQEVSTJZSA-N 1 2 339.439 2.376 20 30 EEEDLO C[C@]1(CNC(=O)C2=CCCC2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107866613 788900796 /nfs/dbraw/zinc/90/07/96/788900796.db2.gz QXKVBTHOBHLCNU-FQEVSTJZSA-N 1 2 339.439 2.376 20 30 EEEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)C(=O)OC(C)(C)C)CC1 ZINC000844340161 789010671 /nfs/dbraw/zinc/01/06/71/789010671.db2.gz KYBMMEVZTSTUPK-CQSZACIVSA-N 1 2 343.427 2.105 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](OC)[C@@H](C)CC)CC2)C1 ZINC001105714157 789147551 /nfs/dbraw/zinc/14/75/51/789147551.db2.gz MBTGSDPKZKMNHH-YJBOKZPZSA-N 1 2 338.492 2.315 20 30 EEEDLO C#CCCCC(=O)NC[C@]1(C)C[N@H+](Cc2ccc(C)nc2C)CCO1 ZINC001107901017 789189719 /nfs/dbraw/zinc/18/97/19/789189719.db2.gz HTUYWJFFISKBLL-HXUWFJFHSA-N 1 2 343.471 2.209 20 30 EEEDLO C#CCCCC(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(C)nc2C)CCO1 ZINC001107901017 789189725 /nfs/dbraw/zinc/18/97/25/789189725.db2.gz HTUYWJFFISKBLL-HXUWFJFHSA-N 1 2 343.471 2.209 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(F)c2C)[C@H](O)C1 ZINC001090278077 789405935 /nfs/dbraw/zinc/40/59/35/789405935.db2.gz APPUWKZUPJKPFC-LSDHHAIUSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(F)c2C)[C@H](O)C1 ZINC001090278077 789405944 /nfs/dbraw/zinc/40/59/44/789405944.db2.gz APPUWKZUPJKPFC-LSDHHAIUSA-N 1 2 326.799 2.052 20 30 EEEDLO N#Cc1cccnc1NC[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001060288075 789633205 /nfs/dbraw/zinc/63/32/05/789633205.db2.gz RJRQMARMCNJYMK-INIZCTEOSA-N 1 2 338.415 2.033 20 30 EEEDLO C[C@@H](CC(=O)OCC(=O)Nc1ccc(CC#N)cc1)n1cc[nH+]c1 ZINC000845276890 789703241 /nfs/dbraw/zinc/70/32/41/789703241.db2.gz DFWDZNFTMSQMOM-ZDUSSCGKSA-N 1 2 326.356 2.082 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC2C[NH+](CCOC3CCCCCC3)C2)c1 ZINC001030194507 789759279 /nfs/dbraw/zinc/75/92/79/789759279.db2.gz LQCKJANDQBJVKI-UHFFFAOYSA-N 1 2 330.432 2.040 20 30 EEEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1CNc1cccc(F)c1C#N ZINC001063500047 791161120 /nfs/dbraw/zinc/16/11/20/791161120.db2.gz OTBIXOOEJWHTNH-CYBMUJFWSA-N 1 2 341.390 2.076 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001063550878 791282624 /nfs/dbraw/zinc/28/26/24/791282624.db2.gz YTYYHSTXNVLTDL-RDTXWAMCSA-N 1 2 346.479 2.251 20 30 EEEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[C@@H]2C)cc1C#N ZINC001032568929 791454955 /nfs/dbraw/zinc/45/49/55/791454955.db2.gz DIISIYXJYLUMSH-STECZYCISA-N 1 2 325.412 2.008 20 30 EEEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[C@@H]2C)cc1C#N ZINC001032568929 791454962 /nfs/dbraw/zinc/45/49/62/791454962.db2.gz DIISIYXJYLUMSH-STECZYCISA-N 1 2 325.412 2.008 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnc3)cc2)[C@H]1C ZINC001088920763 791549896 /nfs/dbraw/zinc/54/98/96/791549896.db2.gz WLXRNIGYJQLPIL-CJNGLKHVSA-N 1 2 345.834 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnc3)cc2)[C@H]1C ZINC001088920763 791549902 /nfs/dbraw/zinc/54/99/02/791549902.db2.gz WLXRNIGYJQLPIL-CJNGLKHVSA-N 1 2 345.834 2.212 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(NC(N)=O)cc2)[C@H]1C ZINC001089021491 791900944 /nfs/dbraw/zinc/90/09/44/791900944.db2.gz RFNVZIMXMAUVGA-RISCZKNCSA-N 1 2 336.823 2.122 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(NC(N)=O)cc2)[C@H]1C ZINC001089021491 791900947 /nfs/dbraw/zinc/90/09/47/791900947.db2.gz RFNVZIMXMAUVGA-RISCZKNCSA-N 1 2 336.823 2.122 20 30 EEEDLO C=CC(C)(C)C(=O)NCC1(NC(=O)C[C@H](C)n2cc[nH+]c2)CCC1 ZINC001063924270 791954336 /nfs/dbraw/zinc/95/43/36/791954336.db2.gz KLOKAKHMWIFOGX-AWEZNQCLSA-N 1 2 332.448 2.202 20 30 EEEDLO C#CCCCNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000174122051 791967695 /nfs/dbraw/zinc/96/76/95/791967695.db2.gz OJVAAKBDGKMFHK-UHFFFAOYSA-N 1 2 328.460 2.434 20 30 EEEDLO CC#CCCCC(=O)N1C[C@@H](CNc2cc[nH+]c(C)n2)[C@H](OCC)C1 ZINC001091672459 792090540 /nfs/dbraw/zinc/09/05/40/792090540.db2.gz LSJAZHMGTOILFM-IAGOWNOFSA-N 1 2 344.459 2.254 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC1(NC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001064069356 792271338 /nfs/dbraw/zinc/27/13/38/792271338.db2.gz LDCQTLBBQUDULG-HZPDHXFCSA-N 1 2 346.475 2.277 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCC1(NC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001064106986 792416646 /nfs/dbraw/zinc/41/66/46/792416646.db2.gz DQPYXUXYDIDBOC-INIZCTEOSA-N 1 2 346.475 2.421 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC1(NC(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001064107286 792418435 /nfs/dbraw/zinc/41/84/35/792418435.db2.gz IKDYSZVBGKNWFO-CQSZACIVSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC1(NC(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001064107286 792418445 /nfs/dbraw/zinc/41/84/45/792418445.db2.gz IKDYSZVBGKNWFO-CQSZACIVSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC1(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001064107405 792418526 /nfs/dbraw/zinc/41/85/26/792418526.db2.gz KTNRQCDUOQZJBU-HUUCEWRRSA-N 1 2 346.475 2.346 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC1(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001064107405 792418536 /nfs/dbraw/zinc/41/85/36/792418536.db2.gz KTNRQCDUOQZJBU-HUUCEWRRSA-N 1 2 346.475 2.346 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCC1(NC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001064110188 792428445 /nfs/dbraw/zinc/42/84/45/792428445.db2.gz SYLMWQHBRODLLI-CQSZACIVSA-N 1 2 332.448 2.100 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccc(OCCC)c2)C1 ZINC001107983839 792479529 /nfs/dbraw/zinc/47/95/29/792479529.db2.gz RRVYKBDNZMSWBI-LJQANCHMSA-N 1 2 332.444 2.482 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccc(OCCC)c2)C1 ZINC001107983839 792479534 /nfs/dbraw/zinc/47/95/34/792479534.db2.gz RRVYKBDNZMSWBI-LJQANCHMSA-N 1 2 332.444 2.482 20 30 EEEDLO Cc1nc(NC[C@@H]2CCCC[C@@H]2NC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001064167819 792579061 /nfs/dbraw/zinc/57/90/61/792579061.db2.gz DZMKFVJOMWXXLG-ZFWWWQNUSA-N 1 2 338.415 2.386 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C/Cl)C2 ZINC001148881474 792788268 /nfs/dbraw/zinc/78/82/68/792788268.db2.gz SDQZVNJRPRLPLM-BPLGCGBFSA-N 1 2 333.259 2.431 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001148881474 792788274 /nfs/dbraw/zinc/78/82/74/792788274.db2.gz SDQZVNJRPRLPLM-BPLGCGBFSA-N 1 2 333.259 2.431 20 30 EEEDLO C=C1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@H+](Cc2cnon2)CC3)CC1 ZINC000992152951 792937205 /nfs/dbraw/zinc/93/72/05/792937205.db2.gz OIYOCAVBSXSLAJ-FUHWJXTLSA-N 1 2 330.432 2.429 20 30 EEEDLO C=C1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](Cc2cnon2)CC3)CC1 ZINC000992152951 792937216 /nfs/dbraw/zinc/93/72/16/792937216.db2.gz OIYOCAVBSXSLAJ-FUHWJXTLSA-N 1 2 330.432 2.429 20 30 EEEDLO C=C1CCC(C(=O)NCC2(NC(=O)Cc3[nH]c[nH+]c3C)CCC2)CC1 ZINC001064393261 793017724 /nfs/dbraw/zinc/01/77/24/793017724.db2.gz MWPACWBSTFZKEB-UHFFFAOYSA-N 1 2 344.459 2.162 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(CF)CCC2)c1 ZINC001032636905 793031367 /nfs/dbraw/zinc/03/13/67/793031367.db2.gz BLRBBZZKKTVMJT-IRXDYDNUSA-N 1 2 327.403 2.483 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(CF)CCC2)c1 ZINC001032636905 793031382 /nfs/dbraw/zinc/03/13/82/793031382.db2.gz BLRBBZZKKTVMJT-IRXDYDNUSA-N 1 2 327.403 2.483 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC1(NC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001064401625 793045566 /nfs/dbraw/zinc/04/55/66/793045566.db2.gz DJHOQBWSPVFDOI-SFHVURJKSA-N 1 2 346.475 2.421 20 30 EEEDLO C[C@@H]1CC2(CN1C(=O)c1cc3c[nH+]ccc3[nH]1)CCN(CC#N)CC2 ZINC001086930151 793059076 /nfs/dbraw/zinc/05/90/76/793059076.db2.gz ZWWBFLKAISQNFJ-CQSZACIVSA-N 1 2 337.427 2.403 20 30 EEEDLO C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)Nc1cccc(F)c1C#N ZINC001098302378 793210027 /nfs/dbraw/zinc/21/00/27/793210027.db2.gz JSBLWQIGPNCGFS-STQMWFEESA-N 1 2 329.379 2.462 20 30 EEEDLO C[C@H]([NH2+][C@@H]1CCCN(C(=O)C#CC2CC2)C1)c1nc(C2CC2)no1 ZINC000999113181 793821286 /nfs/dbraw/zinc/82/12/86/793821286.db2.gz FNDWHASHYQHJOV-SWLSCSKDSA-N 1 2 328.416 2.002 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(F)cc1)c1nccn12 ZINC001092336070 793858216 /nfs/dbraw/zinc/85/82/16/793858216.db2.gz KUEHSRGOUNJLRD-HNNXBMFYSA-N 1 2 326.375 2.094 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@@H]3CCCC[C@H]13)c1nccn12 ZINC001092381819 793876757 /nfs/dbraw/zinc/87/67/57/793876757.db2.gz ZKKLIUAXIFHVGV-NXOAAHMSSA-N 1 2 340.471 2.467 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC(C)(C)C1)c1nccn12 ZINC001092393159 793892089 /nfs/dbraw/zinc/89/20/89/793892089.db2.gz VFPPYGFQVMGSLB-HUUCEWRRSA-N 1 2 328.460 2.467 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)ccc1F)c1nccn12 ZINC001092400298 793900799 /nfs/dbraw/zinc/90/07/99/793900799.db2.gz KYERIGIDUCNRTG-INIZCTEOSA-N 1 2 340.402 2.402 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCC=CCC1)c1nccn12 ZINC001092412515 793962590 /nfs/dbraw/zinc/96/25/90/793962590.db2.gz GZIGXPYCVSNWHR-QGZVFWFLSA-N 1 2 338.455 2.225 20 30 EEEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)CCC(C)(C)C)CC2 ZINC001128053958 794096904 /nfs/dbraw/zinc/09/69/04/794096904.db2.gz IPUGDRZXSIQRJY-OAHLLOKOSA-N 1 2 345.491 2.038 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](CC(F)(F)C(F)F)C[C@H]2CC1 ZINC000946521112 794162695 /nfs/dbraw/zinc/16/26/95/794162695.db2.gz IMTKTZSZAXYYIS-SDDRHHMPSA-N 1 2 335.345 2.217 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CC(F)(F)C(F)F)C[C@H]2CC1 ZINC000946521112 794162698 /nfs/dbraw/zinc/16/26/98/794162698.db2.gz IMTKTZSZAXYYIS-SDDRHHMPSA-N 1 2 335.345 2.217 20 30 EEEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3c(Cl)[nH]nc3C3CC3)CC[C@H]21 ZINC001036736119 794691836 /nfs/dbraw/zinc/69/18/36/794691836.db2.gz VPRJDHPDOBXCJN-CHWSQXEVSA-N 1 2 332.835 2.110 20 30 EEEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c(Cl)[nH]nc3C3CC3)CC[C@H]21 ZINC001036736119 794691841 /nfs/dbraw/zinc/69/18/41/794691841.db2.gz VPRJDHPDOBXCJN-CHWSQXEVSA-N 1 2 332.835 2.110 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CCCCO3)C2)s1 ZINC001007121505 795051740 /nfs/dbraw/zinc/05/17/40/795051740.db2.gz NQNDTCODNJTHRA-CZUORRHYSA-N 1 2 333.457 2.269 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCCCO3)C2)s1 ZINC001007121505 795051749 /nfs/dbraw/zinc/05/17/49/795051749.db2.gz NQNDTCODNJTHRA-CZUORRHYSA-N 1 2 333.457 2.269 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(O[C@@H](C)CC)c1 ZINC001032722678 795247319 /nfs/dbraw/zinc/24/73/19/795247319.db2.gz YKBLFVQKNNZGPD-XIRDDKMYSA-N 1 2 327.428 2.181 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(O[C@@H](C)CC)c1 ZINC001032722678 795247322 /nfs/dbraw/zinc/24/73/22/795247322.db2.gz YKBLFVQKNNZGPD-XIRDDKMYSA-N 1 2 327.428 2.181 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079855031 795283642 /nfs/dbraw/zinc/28/36/42/795283642.db2.gz LIWLUEUVFJQVNM-LSDHHAIUSA-N 1 2 346.475 2.250 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079855031 795283651 /nfs/dbraw/zinc/28/36/51/795283651.db2.gz LIWLUEUVFJQVNM-LSDHHAIUSA-N 1 2 346.475 2.250 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccc(C)c(OC)c3)CC2)C1 ZINC001093553919 795330809 /nfs/dbraw/zinc/33/08/09/795330809.db2.gz KBTULZBUUMZDHF-UHFFFAOYSA-N 1 2 344.455 2.495 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cc(Cl)cn3C)CC2)C1 ZINC001093554522 795332321 /nfs/dbraw/zinc/33/23/21/795332321.db2.gz YHJZSGIOCIUYBT-UHFFFAOYSA-N 1 2 337.851 2.170 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3Cc4ccc(F)cc43)CC2)C1 ZINC001093565442 795375907 /nfs/dbraw/zinc/37/59/07/795375907.db2.gz RBWDEKAVUZYKFS-IBGZPJMESA-N 1 2 344.430 2.343 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cnn(CCC)c3C)CC2)C1 ZINC001093588741 795401168 /nfs/dbraw/zinc/40/11/68/795401168.db2.gz YXZWWBRYNLSUEH-UHFFFAOYSA-N 1 2 346.475 2.093 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC(OC2C[NH+](CC=C)C2)CC1 ZINC001093591534 795404269 /nfs/dbraw/zinc/40/42/69/795404269.db2.gz FFLMTFBLZQRJNP-UHFFFAOYSA-N 1 2 338.451 2.088 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c(C)nc3ccnn3c2C)C1 ZINC001079996914 795447123 /nfs/dbraw/zinc/44/71/23/795447123.db2.gz DRKMNDPYNKNOPV-QMTHXVAHSA-N 1 2 347.850 2.149 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(C)nc3ccnn3c2C)C1 ZINC001079996914 795447130 /nfs/dbraw/zinc/44/71/30/795447130.db2.gz DRKMNDPYNKNOPV-QMTHXVAHSA-N 1 2 347.850 2.149 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3ccc(C)cn32)C1 ZINC001080122943 795622247 /nfs/dbraw/zinc/62/22/47/795622247.db2.gz ARCOTZORBMDIHX-TZMCWYRMSA-N 1 2 332.835 2.445 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3ccc(C)cn32)C1 ZINC001080122943 795622250 /nfs/dbraw/zinc/62/22/50/795622250.db2.gz ARCOTZORBMDIHX-TZMCWYRMSA-N 1 2 332.835 2.445 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(CC)C1CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001080309266 795812400 /nfs/dbraw/zinc/81/24/00/795812400.db2.gz ZSNCWQBEXNBOCI-INIZCTEOSA-N 1 2 346.475 2.325 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001094178384 795988960 /nfs/dbraw/zinc/98/89/60/795988960.db2.gz BJKVHYWQGVJNIE-CABCVRRESA-N 1 2 330.432 2.172 20 30 EEEDLO Cc1nc(NCC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccc1C#N ZINC001106625684 795989224 /nfs/dbraw/zinc/98/92/24/795989224.db2.gz MUAAOVDDYJNZGZ-KCPJHIHWSA-N 1 2 338.415 2.095 20 30 EEEDLO Cc1nc(NCC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccc1C#N ZINC001106625684 795989227 /nfs/dbraw/zinc/98/92/27/795989227.db2.gz MUAAOVDDYJNZGZ-KCPJHIHWSA-N 1 2 338.415 2.095 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C3=CCCCCC3)nn2)C1 ZINC001094286492 796089314 /nfs/dbraw/zinc/08/93/14/796089314.db2.gz CPRZYYQTPWGRSC-UHFFFAOYSA-N 1 2 329.448 2.218 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001078221710 796101332 /nfs/dbraw/zinc/10/13/32/796101332.db2.gz GEWBRLRBZUKAFS-YJBOKZPZSA-N 1 2 334.464 2.277 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cc(F)ccc3Cl)nn2)C1 ZINC001094322074 796130104 /nfs/dbraw/zinc/13/01/04/796130104.db2.gz WRQHLWHFPTYCSV-UHFFFAOYSA-N 1 2 349.797 2.043 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cncnc2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993239062 796145622 /nfs/dbraw/zinc/14/56/22/796145622.db2.gz BIBVPKCQVPARGQ-KBXCAEBGSA-N 1 2 335.411 2.131 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cncnc2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993239062 796145629 /nfs/dbraw/zinc/14/56/29/796145629.db2.gz BIBVPKCQVPARGQ-KBXCAEBGSA-N 1 2 335.411 2.131 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)nc3n[nH]c(C)c32)C1 ZINC001080620108 796241058 /nfs/dbraw/zinc/24/10/58/796241058.db2.gz YULDCANTAUFSGV-YMTOWFKASA-N 1 2 347.850 2.377 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)nc3n[nH]c(C)c32)C1 ZINC001080620108 796241060 /nfs/dbraw/zinc/24/10/60/796241060.db2.gz YULDCANTAUFSGV-YMTOWFKASA-N 1 2 347.850 2.377 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001078308243 796254003 /nfs/dbraw/zinc/25/40/03/796254003.db2.gz ZMWAPSGUNBGUIX-KBPBESRZSA-N 1 2 346.475 2.443 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1nccs1 ZINC001080660854 796290083 /nfs/dbraw/zinc/29/00/83/796290083.db2.gz WTNMYLSTONGZTN-ZWNOBZJWSA-N 1 2 332.454 2.327 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1nccs1 ZINC001080660854 796290087 /nfs/dbraw/zinc/29/00/87/796290087.db2.gz WTNMYLSTONGZTN-ZWNOBZJWSA-N 1 2 332.454 2.327 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c3ccccc3nn2C)C1 ZINC001080717768 796338612 /nfs/dbraw/zinc/33/86/12/796338612.db2.gz ODPQRNZKNNZMEI-IAQYHMDHSA-N 1 2 332.835 2.376 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c3ccccc3nn2C)C1 ZINC001080717768 796338619 /nfs/dbraw/zinc/33/86/19/796338619.db2.gz ODPQRNZKNNZMEI-IAQYHMDHSA-N 1 2 332.835 2.376 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC001080944731 796495675 /nfs/dbraw/zinc/49/56/75/796495675.db2.gz YMWQPJNFMUOULF-YMTOWFKASA-N 1 2 333.823 2.069 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC001080944731 796495680 /nfs/dbraw/zinc/49/56/80/796495680.db2.gz YMWQPJNFMUOULF-YMTOWFKASA-N 1 2 333.823 2.069 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn(C(C)(C)C)nn2)[C@@H]1C ZINC000993394501 796529325 /nfs/dbraw/zinc/52/93/25/796529325.db2.gz DGQLGPPMYVBBSN-STQMWFEESA-N 1 2 339.871 2.368 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C(C)(C)C)nn2)[C@@H]1C ZINC000993394501 796529327 /nfs/dbraw/zinc/52/93/27/796529327.db2.gz DGQLGPPMYVBBSN-STQMWFEESA-N 1 2 339.871 2.368 20 30 EEEDLO CCN(CCNc1ccc(C#N)c(C)n1)C(=O)CCCn1cc[nH+]c1 ZINC001106793618 796574284 /nfs/dbraw/zinc/57/42/84/796574284.db2.gz QHKANQRTJFDMKP-UHFFFAOYSA-N 1 2 340.431 2.199 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CCCCC3(C)C)CC2=O)C1 ZINC001094820033 796617000 /nfs/dbraw/zinc/61/70/00/796617000.db2.gz CQSCOHDDKYQCJB-NVXWUHKLSA-N 1 2 347.503 2.180 20 30 EEEDLO C=CC(C)(C)C(=O)N(CC)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001081096314 796629851 /nfs/dbraw/zinc/62/98/51/796629851.db2.gz SQZFJLBAGBNFMF-UHFFFAOYSA-N 1 2 346.475 2.182 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnc3nccnc3c2)[C@@H]1C ZINC000993446362 796728041 /nfs/dbraw/zinc/72/80/41/796728041.db2.gz UOQIOJZUKQZLHV-JSGCOSHPSA-N 1 2 345.834 2.360 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnc3nccnc3c2)[C@@H]1C ZINC000993446362 796728044 /nfs/dbraw/zinc/72/80/44/796728044.db2.gz UOQIOJZUKQZLHV-JSGCOSHPSA-N 1 2 345.834 2.360 20 30 EEEDLO C[C@@H](CC(=O)N1CC[C@@H](CNc2ncccc2C#N)C1)n1cc[nH+]c1 ZINC001061001946 796827761 /nfs/dbraw/zinc/82/77/61/796827761.db2.gz ZEJTXZGWMZXZIM-GJZGRUSLSA-N 1 2 338.415 2.061 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2csnn2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993621044 796846943 /nfs/dbraw/zinc/84/69/43/796846943.db2.gz FAYRDJOFUFHTAH-GWCFXTLKSA-N 1 2 347.469 2.254 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2csnn2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993621044 796846947 /nfs/dbraw/zinc/84/69/47/796846947.db2.gz FAYRDJOFUFHTAH-GWCFXTLKSA-N 1 2 347.469 2.254 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cnco2)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000993650213 796873450 /nfs/dbraw/zinc/87/34/50/796873450.db2.gz XEIATTASFBYNDA-MLGOLLRUSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cnco2)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000993650213 796873455 /nfs/dbraw/zinc/87/34/55/796873455.db2.gz XEIATTASFBYNDA-MLGOLLRUSA-N 1 2 342.374 2.468 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001081948871 797031584 /nfs/dbraw/zinc/03/15/84/797031584.db2.gz PHVGQCMPZNBCBP-HOCLYGCPSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001081948871 797031587 /nfs/dbraw/zinc/03/15/87/797031587.db2.gz PHVGQCMPZNBCBP-HOCLYGCPSA-N 1 2 332.448 2.052 20 30 EEEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1(C)CCC1 ZINC001082030617 797129446 /nfs/dbraw/zinc/12/94/46/797129446.db2.gz WFEGWYRGJCDQRJ-QZTJIDSGSA-N 1 2 326.440 2.044 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C1(C)CCC1 ZINC001082030617 797129451 /nfs/dbraw/zinc/12/94/51/797129451.db2.gz WFEGWYRGJCDQRJ-QZTJIDSGSA-N 1 2 326.440 2.044 20 30 EEEDLO C=CCOCC(=O)N1CC[C@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001095094678 797336913 /nfs/dbraw/zinc/33/69/13/797336913.db2.gz CWBOBPPPTXEUQD-HNNXBMFYSA-N 1 2 332.448 2.148 20 30 EEEDLO C=CCOC1CCC([NH2+][C@@H](CC(=O)OC)C(=O)OC(C)(C)C)CC1 ZINC001173314393 797371479 /nfs/dbraw/zinc/37/14/79/797371479.db2.gz PRORZGKBDXRDEE-NRXISQOPSA-N 1 2 341.448 2.363 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@H](N(C)c2[nH+]cnc3c2cnn3C)C1 ZINC001095139761 797388606 /nfs/dbraw/zinc/38/86/06/797388606.db2.gz XYAZXAOSWBTJFU-ZDUSSCGKSA-N 1 2 342.447 2.003 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3cccc(C)c3o2)[C@H](OC)C1 ZINC001082387162 797488777 /nfs/dbraw/zinc/48/87/77/797488777.db2.gz PWVCZNQWAQQNDB-NVXWUHKLSA-N 1 2 326.396 2.194 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3cccc(C)c3o2)[C@H](OC)C1 ZINC001082387162 797488781 /nfs/dbraw/zinc/48/87/81/797488781.db2.gz PWVCZNQWAQQNDB-NVXWUHKLSA-N 1 2 326.396 2.194 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cocn2)C3)s1 ZINC001095236776 797570684 /nfs/dbraw/zinc/57/06/84/797570684.db2.gz PTRYERXJGCTFRZ-DGFSRKRXSA-N 1 2 328.397 2.143 20 30 EEEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cocn2)C3)s1 ZINC001095236776 797570687 /nfs/dbraw/zinc/57/06/87/797570687.db2.gz PTRYERXJGCTFRZ-DGFSRKRXSA-N 1 2 328.397 2.143 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)c1C ZINC001095244658 797584522 /nfs/dbraw/zinc/58/45/22/797584522.db2.gz NZBPFJOBTWWEJM-QYZOEREBSA-N 1 2 348.450 2.413 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)c1C ZINC001095244658 797584525 /nfs/dbraw/zinc/58/45/25/797584525.db2.gz NZBPFJOBTWWEJM-QYZOEREBSA-N 1 2 348.450 2.413 20 30 EEEDLO C=CCCCC(=O)N1CCC(CNc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001095270832 797656448 /nfs/dbraw/zinc/65/64/48/797656448.db2.gz ILIRVERRYRAZDW-UHFFFAOYSA-N 1 2 346.479 2.253 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@H+](Cc3cncc(F)c3)CCCO2)C1 ZINC001150297176 797656597 /nfs/dbraw/zinc/65/65/97/797656597.db2.gz AOXBUNMSYMPOAH-QGZVFWFLSA-N 1 2 347.434 2.284 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@@H+](Cc3cncc(F)c3)CCCO2)C1 ZINC001150297176 797656601 /nfs/dbraw/zinc/65/66/01/797656601.db2.gz AOXBUNMSYMPOAH-QGZVFWFLSA-N 1 2 347.434 2.284 20 30 EEEDLO C=CCOCC(=O)N1CCC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095294573 797737439 /nfs/dbraw/zinc/73/74/39/797737439.db2.gz RBYHGDZHQBVKCH-OAHLLOKOSA-N 1 2 330.432 2.268 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NCC[NH2+]Cc1nc([C@@H](C)OCC)no1 ZINC001128190341 798225170 /nfs/dbraw/zinc/22/51/70/798225170.db2.gz PXBLZRIBUSHFSE-SNVBAGLBSA-N 1 2 344.843 2.152 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3ccc(=O)[nH]c3)[C@@H]2C1 ZINC001084606818 798311626 /nfs/dbraw/zinc/31/16/26/798311626.db2.gz CFNABYZSECHOAY-HUUCEWRRSA-N 1 2 335.835 2.005 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3ccc(=O)[nH]c3)[C@@H]2C1 ZINC001084606818 798311630 /nfs/dbraw/zinc/31/16/30/798311630.db2.gz CFNABYZSECHOAY-HUUCEWRRSA-N 1 2 335.835 2.005 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC=C(Cl)Cl)C[C@H]21 ZINC001084674575 798363975 /nfs/dbraw/zinc/36/39/75/798363975.db2.gz KORCOLYQDLADSA-SYQHCUMBSA-N 1 2 345.270 2.429 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC=C(Cl)Cl)C[C@H]21 ZINC001084674575 798363980 /nfs/dbraw/zinc/36/39/80/798363980.db2.gz KORCOLYQDLADSA-SYQHCUMBSA-N 1 2 345.270 2.429 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCC(NC(=O)c3ncccc3O)CC2)s1 ZINC001002664530 798417088 /nfs/dbraw/zinc/41/70/88/798417088.db2.gz OBZOHBXJBDOXRO-UHFFFAOYSA-N 1 2 342.424 2.115 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001098294559 798442407 /nfs/dbraw/zinc/44/24/07/798442407.db2.gz VFNJUPODBVZPRX-CFVMTHIKSA-N 1 2 330.432 2.170 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001084906613 798545241 /nfs/dbraw/zinc/54/52/41/798545241.db2.gz ZYQSTGZOYVWAEI-IYOUNJFTSA-N 1 2 340.402 2.280 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001084906613 798545242 /nfs/dbraw/zinc/54/52/42/798545242.db2.gz ZYQSTGZOYVWAEI-IYOUNJFTSA-N 1 2 340.402 2.280 20 30 EEEDLO C=CCCCCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C)[nH]n3)C[C@H]21 ZINC001176924473 798629275 /nfs/dbraw/zinc/62/92/75/798629275.db2.gz ORSLZAOZUUVNSL-MSOLQXFVSA-N 1 2 346.475 2.380 20 30 EEEDLO C=CCCCCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C)[nH]n3)C[C@H]21 ZINC001176924473 798629276 /nfs/dbraw/zinc/62/92/76/798629276.db2.gz ORSLZAOZUUVNSL-MSOLQXFVSA-N 1 2 346.475 2.380 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCc3ccsc3)C[C@@H]21 ZINC001177037059 798682614 /nfs/dbraw/zinc/68/26/14/798682614.db2.gz WYCBGIKPZWXLFR-ZWKOTPCHSA-N 1 2 346.496 2.396 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCc3ccsc3)C[C@@H]21 ZINC001177037059 798682616 /nfs/dbraw/zinc/68/26/16/798682616.db2.gz WYCBGIKPZWXLFR-ZWKOTPCHSA-N 1 2 346.496 2.396 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C(=C)C)C[C@H]21 ZINC001177056023 798719636 /nfs/dbraw/zinc/71/96/36/798719636.db2.gz UATLXTGPKMPLIP-SJORKVTESA-N 1 2 336.476 2.093 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)C(=C)C)C[C@H]21 ZINC001177056023 798719641 /nfs/dbraw/zinc/71/96/41/798719641.db2.gz UATLXTGPKMPLIP-SJORKVTESA-N 1 2 336.476 2.093 20 30 EEEDLO C=CCCC1(C(=O)N2CC[C@@H]3OCC[N@H+](CCOCC=C)[C@H]3C2)CC1 ZINC001177102407 798750990 /nfs/dbraw/zinc/75/09/90/798750990.db2.gz VDANWNUXUAASNT-ROUUACIJSA-N 1 2 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/nfs/dbraw/zinc/31/54/53/1110315453.db2.gz WFNUYMZJHJJZKS-UHFFFAOYSA-N 1 2 326.404 2.169 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1[nH]cnc1C ZINC001502403132 1113668214 /nfs/dbraw/zinc/66/82/14/1113668214.db2.gz FVOXXYGNEKMIJF-UHFFFAOYSA-N 1 2 329.242 2.021 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1[nH]cnc1C ZINC001502403132 1113668217 /nfs/dbraw/zinc/66/82/17/1113668217.db2.gz FVOXXYGNEKMIJF-UHFFFAOYSA-N 1 2 329.242 2.021 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@H](C)C1 ZINC001524128990 1119987953 /nfs/dbraw/zinc/98/79/53/1119987953.db2.gz NXUTWGDJKFOFBO-INIZCTEOSA-N 1 2 347.507 2.295 20 30 EEEDLO Cn1cc[nH+]c1CCC(=O)N1CCC(Nc2ccccc2C#N)CC1 ZINC001548729576 1124467456 /nfs/dbraw/zinc/46/74/56/1124467456.db2.gz KMOVHRZRJMOSEZ-UHFFFAOYSA-N 1 2 337.427 2.327 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1ccc2n[nH]nc2c1 ZINC001568503448 1124559766 /nfs/dbraw/zinc/55/97/66/1124559766.db2.gz BKDHCNKVRRVNSI-UHFFFAOYSA-N 1 2 348.410 2.034 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1ccc2n[nH]nc2c1 ZINC001568503448 1124559772 /nfs/dbraw/zinc/55/97/72/1124559772.db2.gz BKDHCNKVRRVNSI-UHFFFAOYSA-N 1 2 348.410 2.034 20 30 EEEDLO N#Cc1ccccc1CN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000103145584 219262497 /nfs/dbraw/zinc/26/24/97/219262497.db2.gz ONISVBHQPOLGMM-UHFFFAOYSA-N 1 2 340.471 2.125 20 30 EEEDLO COc1ccc(CNc2cccc(CN3CCOCC3)[nH+]2)cc1C#N ZINC000179452117 233047016 /nfs/dbraw/zinc/04/70/16/233047016.db2.gz ACHLXAFWYLIZED-UHFFFAOYSA-N 1 2 338.411 2.406 20 30 EEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(C(F)(F)F)cnc1C#N ZINC000334028074 539806077 /nfs/dbraw/zinc/80/60/77/539806077.db2.gz IWYJQWJMZGSZDW-WCQYABFASA-N 1 2 340.349 2.271 20 30 EEEDLO COc1cc(CN(CCC#N)CC[NH+]2CCOCC2)ccc1SC ZINC000081158149 236998113 /nfs/dbraw/zinc/99/81/13/236998113.db2.gz KWXVCCBANDGFIX-UHFFFAOYSA-N 1 2 349.500 2.465 20 30 EEEDLO Cn1cccc1[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000411549537 238390889 /nfs/dbraw/zinc/39/08/89/238390889.db2.gz HIZKVECDJVIZSD-GOSISDBHSA-N 1 2 338.411 2.299 20 30 EEEDLO Cn1cccc1[C@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000411549537 238390893 /nfs/dbraw/zinc/39/08/93/238390893.db2.gz HIZKVECDJVIZSD-GOSISDBHSA-N 1 2 338.411 2.299 20 30 EEEDLO N#CCc1cccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000455902974 244106554 /nfs/dbraw/zinc/10/65/54/244106554.db2.gz HPZOQOXHYCGABF-KRWDZBQOSA-N 1 2 328.416 2.081 20 30 EEEDLO N#Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000111123039 220102347 /nfs/dbraw/zinc/10/23/47/220102347.db2.gz CQYJMXZRACDUOR-FQEVSTJZSA-N 1 2 349.434 2.232 20 30 EEEDLO CCc1ccc(/C=C\C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000491399966 246017714 /nfs/dbraw/zinc/01/77/14/246017714.db2.gz GSWCPUOFVUCURN-HJWRWDBZSA-N 1 2 341.455 2.337 20 30 EEEDLO CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000496233860 247396514 /nfs/dbraw/zinc/39/65/14/247396514.db2.gz OANUKRCHXYJDDK-GFCCVEGCSA-N 1 2 349.435 2.348 20 30 EEEDLO N#Cc1ccc([C@H](O)CN2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000268721023 252170525 /nfs/dbraw/zinc/17/05/25/252170525.db2.gz ZVCWPJVLXAFVMX-HXUWFJFHSA-N 1 2 337.423 2.115 20 30 EEEDLO COC[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(C)o1 ZINC000273505317 256302336 /nfs/dbraw/zinc/30/23/36/256302336.db2.gz NJIMUMJVBKECDQ-MRXNPFEDSA-N 1 2 327.384 2.053 20 30 EEEDLO N#Cc1ncccc1NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000273907545 256337223 /nfs/dbraw/zinc/33/72/23/256337223.db2.gz AISMEMQYNXADBR-UHFFFAOYSA-N 1 2 335.411 2.468 20 30 EEEDLO C#C[C@@H](C)N(C)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000491278592 533223023 /nfs/dbraw/zinc/22/30/23/533223023.db2.gz UJCCMEZSLUXXKE-SJLPKXTDSA-N 1 2 329.444 2.031 20 30 EEEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000491635620 533276295 /nfs/dbraw/zinc/27/62/95/533276295.db2.gz UKMAXTSYIKFBBM-GFCCVEGCSA-N 1 2 337.217 2.112 20 30 EEEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000491635620 533276299 /nfs/dbraw/zinc/27/62/99/533276299.db2.gz UKMAXTSYIKFBBM-GFCCVEGCSA-N 1 2 337.217 2.112 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000115530865 152028616 /nfs/dbraw/zinc/02/86/16/152028616.db2.gz OVNRPQFQTHXTJG-GOSISDBHSA-N 1 2 338.386 2.046 20 30 EEEDLO Cn1c2c(cccc2F)[nH+]c1N1CCN(c2cccc(C#N)n2)CC1 ZINC000337024541 160589831 /nfs/dbraw/zinc/58/98/31/160589831.db2.gz UPTTUGQWEOHACL-UHFFFAOYSA-N 1 2 336.374 2.306 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)CC(F)(F)F)CC2)c(F)c1 ZINC000189022567 160134504 /nfs/dbraw/zinc/13/45/04/160134504.db2.gz MOXOPYFVGXFRKV-LBPRGKRZSA-N 1 2 331.313 2.133 20 30 EEEDLO COC(=O)[C@@H]([C@@H](C)O)[N@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000351958834 162001326 /nfs/dbraw/zinc/00/13/26/162001326.db2.gz OYEFRQNKUHRTIW-DNVCBOLYSA-N 1 2 338.407 2.483 20 30 EEEDLO COC(=O)[C@@H]([C@@H](C)O)[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000351958834 162001329 /nfs/dbraw/zinc/00/13/29/162001329.db2.gz OYEFRQNKUHRTIW-DNVCBOLYSA-N 1 2 338.407 2.483 20 30 EEEDLO C=CCCOCCNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000122355715 222069678 /nfs/dbraw/zinc/06/96/78/222069678.db2.gz JWWKIQUQEXMETJ-UHFFFAOYSA-N 1 2 347.459 2.115 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1C#N ZINC000534469472 270022660 /nfs/dbraw/zinc/02/26/60/270022660.db2.gz CLUHVBSUJNKEQY-CVEARBPZSA-N 1 2 332.425 2.051 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1C#N ZINC000534469472 270022661 /nfs/dbraw/zinc/02/26/61/270022661.db2.gz CLUHVBSUJNKEQY-CVEARBPZSA-N 1 2 332.425 2.051 20 30 EEEDLO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000325302524 267066087 /nfs/dbraw/zinc/06/60/87/267066087.db2.gz NUHUWWGIFDWGSV-CRAIPNDOSA-N 1 2 326.444 2.445 20 30 EEEDLO C[C@@H]1CN2CCCC[C@@H]2C[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000325302524 267066091 /nfs/dbraw/zinc/06/60/91/267066091.db2.gz NUHUWWGIFDWGSV-CRAIPNDOSA-N 1 2 326.444 2.445 20 30 EEEDLO C[C@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)Cn1cc[nH+]c1 ZINC000293052135 267161717 /nfs/dbraw/zinc/16/17/17/267161717.db2.gz BDNQQOISOWRHKG-SNVBAGLBSA-N 1 2 337.305 2.235 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000495665410 267810873 /nfs/dbraw/zinc/81/08/73/267810873.db2.gz TZHKTZNZKMGENZ-CYBMUJFWSA-N 1 2 344.415 2.048 20 30 EEEDLO N#Cc1ccc(OC2CC[NH+](Cc3nccc(N)n3)CC2)c(F)c1 ZINC000285563847 268166414 /nfs/dbraw/zinc/16/64/14/268166414.db2.gz SUFWCTZZNAXEGL-UHFFFAOYSA-N 1 2 327.363 2.113 20 30 EEEDLO CC(C)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)C1=O ZINC000277836952 269188945 /nfs/dbraw/zinc/18/89/45/269188945.db2.gz RWLMBFIGNAZSRR-KRWDZBQOSA-N 1 2 346.862 2.343 20 30 EEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000281673321 269439070 /nfs/dbraw/zinc/43/90/70/269439070.db2.gz ODPSGENHYDXZOY-OAHLLOKOSA-N 1 2 345.428 2.086 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccncc2Cl)C1 ZINC001032003982 782046279 /nfs/dbraw/zinc/04/62/79/782046279.db2.gz NCXTXKFIUYTZCR-UHFFFAOYSA-N 1 2 340.814 2.468 20 30 EEEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452053369 278305791 /nfs/dbraw/zinc/30/57/91/278305791.db2.gz PCBVUXNGHDPSNW-LSDHHAIUSA-N 1 2 337.427 2.199 20 30 EEEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452053369 278305792 /nfs/dbraw/zinc/30/57/92/278305792.db2.gz PCBVUXNGHDPSNW-LSDHHAIUSA-N 1 2 337.427 2.199 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000155492829 288282090 /nfs/dbraw/zinc/28/20/90/288282090.db2.gz GFEKXUAMZHDMOQ-GFCCVEGCSA-N 1 2 329.354 2.337 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000155492829 288282094 /nfs/dbraw/zinc/28/20/94/288282094.db2.gz GFEKXUAMZHDMOQ-GFCCVEGCSA-N 1 2 329.354 2.337 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCOC[C@@H]3C3CC3)C2=O)cc1 ZINC000192712648 303192996 /nfs/dbraw/zinc/19/29/96/303192996.db2.gz FCVMYHMPMODVCQ-QZTJIDSGSA-N 1 2 325.412 2.164 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCOC[C@@H]3C3CC3)C2=O)cc1 ZINC000192712648 303192997 /nfs/dbraw/zinc/19/29/97/303192997.db2.gz FCVMYHMPMODVCQ-QZTJIDSGSA-N 1 2 325.412 2.164 20 30 EEEDLO CC(C)(C)c1nnc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)s1 ZINC000567471932 319382955 /nfs/dbraw/zinc/38/29/55/319382955.db2.gz AHMXCACDWFKOPS-UHFFFAOYSA-N 1 2 327.417 2.040 20 30 EEEDLO CCN1CCN(c2cccc(-n3cccn3)c2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000582312043 324428587 /nfs/dbraw/zinc/42/85/87/324428587.db2.gz HOBXTTVNNMFXCP-SFHVURJKSA-N 1 2 347.426 2.350 20 30 EEEDLO Cc1cc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)nn1CCC#N ZINC000611481945 449302037 /nfs/dbraw/zinc/30/20/37/449302037.db2.gz HRSXZDPBHXJQBG-AWEZNQCLSA-N 1 2 327.392 2.171 20 30 EEEDLO Cc1nc(NCc2cccc(C(=O)N3CC[C@](F)(C#N)C3)c2)cc[nH+]1 ZINC000615826340 450253699 /nfs/dbraw/zinc/25/36/99/450253699.db2.gz RVPCUHHSSKJQGS-SFHVURJKSA-N 1 2 339.374 2.475 20 30 EEEDLO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000328719833 465108695 /nfs/dbraw/zinc/10/86/95/465108695.db2.gz GMOWIGKTUGBZCE-BARDWOONSA-N 1 2 330.432 2.461 20 30 EEEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)C(N)=O)cc1 ZINC000351284080 465109346 /nfs/dbraw/zinc/10/93/46/465109346.db2.gz AZBJMRDTUOOBSQ-MRXNPFEDSA-N 1 2 341.798 2.463 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1CCc3nncn3C1)C2 ZINC000328885242 465158365 /nfs/dbraw/zinc/15/83/65/465158365.db2.gz ZAABOPFHPFKUEZ-STQMWFEESA-N 1 2 342.447 2.306 20 30 EEEDLO Cn1c2c([nH+]c1[C@H]1CCCN1CC(=O)NC(=O)NC1CC1)CCCC2 ZINC000328928532 465171474 /nfs/dbraw/zinc/17/14/74/465171474.db2.gz GNRDYNCOYQYCRO-OAHLLOKOSA-N 1 2 345.447 2.469 20 30 EEEDLO O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328946016 465177882 /nfs/dbraw/zinc/17/78/82/465177882.db2.gz MFLGBTZXEKLWNJ-KGLIPLIRSA-N 1 2 330.432 2.336 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000329144712 465246370 /nfs/dbraw/zinc/24/63/70/465246370.db2.gz NFURHZPJNIUUCB-MGPQQGTHSA-N 1 2 328.478 2.031 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000329144712 465246373 /nfs/dbraw/zinc/24/63/73/465246373.db2.gz NFURHZPJNIUUCB-MGPQQGTHSA-N 1 2 328.478 2.031 20 30 EEEDLO C[C@H](C1CC1)n1cc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cn1 ZINC000329235188 465276298 /nfs/dbraw/zinc/27/62/98/465276298.db2.gz IKVKHKBPAXQQNV-CPUCHLNUSA-N 1 2 347.463 2.195 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2CCCOC2)CC1 ZINC000329377829 465316101 /nfs/dbraw/zinc/31/61/01/465316101.db2.gz MEIWVLZLDBUJDQ-JZXOWHBKSA-N 1 2 346.475 2.489 20 30 EEEDLO Nc1nc(C2CCCC2)ncc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329513611 465359047 /nfs/dbraw/zinc/35/90/47/465359047.db2.gz CPFSYDURUUXJLW-LLVKDONJSA-N 1 2 326.404 2.302 20 30 EEEDLO Nc1nc(C2CCCC2)ncc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329513611 465359051 /nfs/dbraw/zinc/35/90/51/465359051.db2.gz CPFSYDURUUXJLW-LLVKDONJSA-N 1 2 326.404 2.302 20 30 EEEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000568180825 468287053 /nfs/dbraw/zinc/28/70/53/468287053.db2.gz CWMJVCJBUSWMJM-HUUCEWRRSA-N 1 2 330.432 2.029 20 30 EEEDLO C#CCNC(=O)CC[NH2+][C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000491119098 468303754 /nfs/dbraw/zinc/30/37/54/468303754.db2.gz HCJORKOTCWVIFB-NSHDSACASA-N 1 2 332.791 2.180 20 30 EEEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000063589803 462655853 /nfs/dbraw/zinc/65/58/53/462655853.db2.gz UPPKDPIKUWLEGD-UHFFFAOYSA-N 1 2 347.267 2.323 20 30 EEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)CO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000065205619 462742666 /nfs/dbraw/zinc/74/26/66/462742666.db2.gz MQPJSMCJRAZOHZ-YGRLFVJLSA-N 1 2 325.359 2.297 20 30 EEEDLO C=C(C)CNC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000154312689 462753081 /nfs/dbraw/zinc/75/30/81/462753081.db2.gz UAJXABOGPWXDDW-UHFFFAOYSA-N 1 2 331.397 2.188 20 30 EEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117765795 462812630 /nfs/dbraw/zinc/81/26/30/462812630.db2.gz SSYBONNIXNWYTK-OAHLLOKOSA-N 1 2 344.434 2.241 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCc2n[nH]cc2C1 ZINC000091078969 462830693 /nfs/dbraw/zinc/83/06/93/462830693.db2.gz DHCNKZCDWOYDQG-ZDUSSCGKSA-N 1 2 330.457 2.433 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCc2n[nH]cc2C1 ZINC000091078969 462830698 /nfs/dbraw/zinc/83/06/98/462830698.db2.gz DHCNKZCDWOYDQG-ZDUSSCGKSA-N 1 2 330.457 2.433 20 30 EEEDLO N#CCCn1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000118893977 462860543 /nfs/dbraw/zinc/86/05/43/462860543.db2.gz KHPMCXWGIKSCRW-UHFFFAOYSA-N 1 2 339.403 2.114 20 30 EEEDLO CS(=O)(=O)N1CC[C@@H](C/[NH+]=C/c2c(O)ccc3ccccc32)C1 ZINC000133093155 462899018 /nfs/dbraw/zinc/89/90/18/462899018.db2.gz DFSFNKCBIUWYQO-FHXOWUIVSA-N 1 2 332.425 2.246 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nc2ccc(F)cc2o1 ZINC000119414027 462899363 /nfs/dbraw/zinc/89/93/63/462899363.db2.gz APQLTGUAMICDFC-UHFFFAOYSA-N 1 2 332.379 2.015 20 30 EEEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000091918073 462913612 /nfs/dbraw/zinc/91/36/12/462913612.db2.gz NZEXGXAPBVWERP-UHFFFAOYSA-N 1 2 336.374 2.062 20 30 EEEDLO CCOC(=O)C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000016476317 462980725 /nfs/dbraw/zinc/98/07/25/462980725.db2.gz QTVMKTCVNAOECH-UHFFFAOYSA-N 1 2 349.818 2.425 20 30 EEEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000049971032 462981770 /nfs/dbraw/zinc/98/17/70/462981770.db2.gz DEYHCYGFHIIEGX-UHFFFAOYSA-N 1 2 340.471 2.100 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000049971032 462981774 /nfs/dbraw/zinc/98/17/74/462981774.db2.gz DEYHCYGFHIIEGX-UHFFFAOYSA-N 1 2 340.471 2.100 20 30 EEEDLO C=C(Cl)CNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000077572077 463006956 /nfs/dbraw/zinc/00/69/56/463006956.db2.gz JQSLEXKTCKXTJB-MRXNPFEDSA-N 1 2 337.851 2.420 20 30 EEEDLO C[C@@H](O[NH+]=C(N)CCO)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000121343564 463119289 /nfs/dbraw/zinc/11/92/89/463119289.db2.gz HESOISBXEZNYSF-MRVPVSSYSA-N 1 2 344.293 2.488 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NCC[NH+]1CCOCC1 ZINC000078573294 463128752 /nfs/dbraw/zinc/12/87/52/463128752.db2.gz ZJJKEQICNYMESM-CQSZACIVSA-N 1 2 348.472 2.392 20 30 EEEDLO CCN(C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000158180638 463213703 /nfs/dbraw/zinc/21/37/03/463213703.db2.gz LUNACOVNDBXJKY-UHFFFAOYSA-N 1 2 339.395 2.312 20 30 EEEDLO CC#CCNC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000136058905 463215860 /nfs/dbraw/zinc/21/58/60/463215860.db2.gz DJBUFFMWHGIGHK-UHFFFAOYSA-N 1 2 334.423 2.467 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000069357433 463234987 /nfs/dbraw/zinc/23/49/87/463234987.db2.gz HBKKJGMDTIMVFL-IEBWSBKVSA-N 1 2 346.471 2.466 20 30 EEEDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000029445174 463257259 /nfs/dbraw/zinc/25/72/59/463257259.db2.gz OKJFLONGXSEONB-INIZCTEOSA-N 1 2 349.438 2.411 20 30 EEEDLO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445543 463257718 /nfs/dbraw/zinc/25/77/18/463257718.db2.gz JJPWJNFHBDKEFE-INIZCTEOSA-N 1 2 349.438 2.411 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(O)CC2)c1C#N ZINC000040481446 463457198 /nfs/dbraw/zinc/45/71/98/463457198.db2.gz QHZFDZUCFWERKX-UHFFFAOYSA-N 1 2 344.459 2.487 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000071909012 463467070 /nfs/dbraw/zinc/46/70/70/463467070.db2.gz JIGDDVZZPLEKIX-RTBURBONSA-N 1 2 340.471 2.348 20 30 EEEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2ccc(C#N)c(Cl)c2)no1 ZINC000125118315 463505050 /nfs/dbraw/zinc/50/50/50/463505050.db2.gz PFTPRZLVOLGNRC-UHFFFAOYSA-N 1 2 347.806 2.321 20 30 EEEDLO C=CCc1ccc(OCC(=O)N[C@H](C)Cn2cc[nH+]c2)c(OC)c1 ZINC000042511187 463571148 /nfs/dbraw/zinc/57/11/48/463571148.db2.gz WNFJOEGIJRSGJM-CQSZACIVSA-N 1 2 329.400 2.204 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000042531936 463571234 /nfs/dbraw/zinc/57/12/34/463571234.db2.gz NHAVKWMOOAHZLZ-INIZCTEOSA-N 1 2 333.501 2.455 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2ccsc2)CC1 ZINC000042531936 463571238 /nfs/dbraw/zinc/57/12/38/463571238.db2.gz NHAVKWMOOAHZLZ-INIZCTEOSA-N 1 2 333.501 2.455 20 30 EEEDLO N#CC1(NC(=O)CCn2c3ccccc3[nH+]c2C2CC2)CCOCC1 ZINC000538744069 468365688 /nfs/dbraw/zinc/36/56/88/468365688.db2.gz JFOQRVWDHGXURX-UHFFFAOYSA-N 1 2 338.411 2.493 20 30 EEEDLO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000073746808 463652159 /nfs/dbraw/zinc/65/21/59/463652159.db2.gz LNCPHQZWZULZGH-CRAIPNDOSA-N 1 2 342.443 2.125 20 30 EEEDLO COc1ccc(F)cc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000268368635 463720651 /nfs/dbraw/zinc/72/06/51/463720651.db2.gz VPMNEZHDOLGNJY-ZDUSSCGKSA-N 1 2 341.390 2.207 20 30 EEEDLO COc1ccc(F)cc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000268368635 463720665 /nfs/dbraw/zinc/72/06/65/463720665.db2.gz VPMNEZHDOLGNJY-ZDUSSCGKSA-N 1 2 341.390 2.207 20 30 EEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000268474468 463759077 /nfs/dbraw/zinc/75/90/77/463759077.db2.gz KANYKBRKIWRQHS-ZDUSSCGKSA-N 1 2 338.371 2.140 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000178239822 463867111 /nfs/dbraw/zinc/86/71/11/463867111.db2.gz KFIPYCMBCKWPSY-KBPBESRZSA-N 1 2 335.414 2.368 20 30 EEEDLO C=CC[C@@]1(C(=O)NCc2[nH+]ccn2C)CCCN1C(=O)OC(C)(C)C ZINC000277269899 463907852 /nfs/dbraw/zinc/90/78/52/463907852.db2.gz OKXFOZQQKLSQNH-SFHVURJKSA-N 1 2 348.447 2.382 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnn4c3CCCC4)CC2)cc1 ZINC000269730974 464073867 /nfs/dbraw/zinc/07/38/67/464073867.db2.gz WBRZZBBDXJFLQD-UHFFFAOYSA-N 1 2 349.438 2.049 20 30 EEEDLO COCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000179345464 464112445 /nfs/dbraw/zinc/11/24/45/464112445.db2.gz NRZZOVMNUSLOFL-ZFWWWQNUSA-N 1 2 349.431 2.223 20 30 EEEDLO COCCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000179345464 464112449 /nfs/dbraw/zinc/11/24/49/464112449.db2.gz NRZZOVMNUSLOFL-ZFWWWQNUSA-N 1 2 349.431 2.223 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N(C)Cc2ccccc2)n1 ZINC000279759890 464144679 /nfs/dbraw/zinc/14/46/79/464144679.db2.gz RGGVDGQCUUAGFM-KRWDZBQOSA-N 1 2 338.455 2.385 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N(C)Cc2ccccc2)n1 ZINC000279759890 464144685 /nfs/dbraw/zinc/14/46/85/464144685.db2.gz RGGVDGQCUUAGFM-KRWDZBQOSA-N 1 2 338.455 2.385 20 30 EEEDLO CC[N@H+](Cc1cccc(OCCCC#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000179597027 464162442 /nfs/dbraw/zinc/16/24/42/464162442.db2.gz LNSMNJKTMDMDSY-MRXNPFEDSA-N 1 2 336.457 2.378 20 30 EEEDLO CC[N@@H+](Cc1cccc(OCCCC#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000179597027 464162448 /nfs/dbraw/zinc/16/24/48/464162448.db2.gz LNSMNJKTMDMDSY-MRXNPFEDSA-N 1 2 336.457 2.378 20 30 EEEDLO C[C@@H](NC(=O)[C@H](C)O[NH+]=C(N)[C@@H]1CCCO1)c1cc2ccccc2o1 ZINC000284405976 464181333 /nfs/dbraw/zinc/18/13/33/464181333.db2.gz NFYMZTOTKWWPOB-XUJVJEKNSA-N 1 2 345.399 2.466 20 30 EEEDLO C=CCOCCCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000173112057 464193043 /nfs/dbraw/zinc/19/30/43/464193043.db2.gz FXIMXSIZMZRYDX-UHFFFAOYSA-N 1 2 332.444 2.118 20 30 EEEDLO CC(C)[C@H](NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000284527135 464229516 /nfs/dbraw/zinc/22/95/16/464229516.db2.gz UWAZOOPDLUIYRE-HOCLYGCPSA-N 1 2 337.395 2.107 20 30 EEEDLO CCN1CCN(C(=O)NCCc2csc(C)n2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329837820 465449689 /nfs/dbraw/zinc/44/96/89/465449689.db2.gz MZWMLIOEDJDRFG-CQSZACIVSA-N 1 2 348.476 2.010 20 30 EEEDLO CCC(CC)[C@H](C(=O)Nc1cc(C)n(CCC#N)n1)[NH+]1CCOCC1 ZINC000271005215 464274491 /nfs/dbraw/zinc/27/44/91/464274491.db2.gz CKRQONPFDMEEQS-QGZVFWFLSA-N 1 2 347.463 2.181 20 30 EEEDLO C=C(Cl)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280945053 464277538 /nfs/dbraw/zinc/27/75/38/464277538.db2.gz JNJSYNPOPYVCBU-CVEARBPZSA-N 1 2 335.835 2.034 20 30 EEEDLO C=C(Cl)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280945053 464277541 /nfs/dbraw/zinc/27/75/41/464277541.db2.gz JNJSYNPOPYVCBU-CVEARBPZSA-N 1 2 335.835 2.034 20 30 EEEDLO C#CCOc1ccccc1C[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000271060652 464278457 /nfs/dbraw/zinc/27/84/57/464278457.db2.gz FIAZGDDSLWBNQE-UHFFFAOYSA-N 1 2 335.407 2.052 20 30 EEEDLO Cc1cc(NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)nn1CCC#N ZINC000271095316 464280067 /nfs/dbraw/zinc/28/00/67/464280067.db2.gz WBKCGAKVKCWPKK-ZOBUZTSGSA-N 1 2 347.463 2.178 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N(C)Cc2ccccc2C)C1=O ZINC000281212969 464373752 /nfs/dbraw/zinc/37/37/52/464373752.db2.gz DHNKYCBTAKOUNH-AEFFLSMTSA-N 1 2 343.471 2.061 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N(C)Cc2ccccc2C)C1=O ZINC000281212969 464373754 /nfs/dbraw/zinc/37/37/54/464373754.db2.gz DHNKYCBTAKOUNH-AEFFLSMTSA-N 1 2 343.471 2.061 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC2(CC1)OCCCO2 ZINC000292960740 464379453 /nfs/dbraw/zinc/37/94/53/464379453.db2.gz JLIJPPBRZBCOJY-MRXNPFEDSA-N 1 2 330.384 2.001 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000293153699 464389146 /nfs/dbraw/zinc/38/91/46/464389146.db2.gz OHXOKADOFGIHCK-UHFFFAOYSA-N 1 2 338.455 2.120 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000293153699 464389147 /nfs/dbraw/zinc/38/91/47/464389147.db2.gz OHXOKADOFGIHCK-UHFFFAOYSA-N 1 2 338.455 2.120 20 30 EEEDLO CC#CC[N@@H+](C)Cc1nc2sc(C(=O)OCC)c(C)c2c(N)n1 ZINC000293319312 464400018 /nfs/dbraw/zinc/40/00/18/464400018.db2.gz XMFMEFOVXBLHMS-UHFFFAOYSA-N 1 2 332.429 2.214 20 30 EEEDLO CC#CC[N@H+](C)Cc1nc2sc(C(=O)OCC)c(C)c2c(N)n1 ZINC000293319312 464400025 /nfs/dbraw/zinc/40/00/25/464400025.db2.gz XMFMEFOVXBLHMS-UHFFFAOYSA-N 1 2 332.429 2.214 20 30 EEEDLO Cc1nn(C)cc1[C@H](C)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329906138 465470111 /nfs/dbraw/zinc/47/01/11/465470111.db2.gz RYBBKIFTPXGWEN-SWLSCSKDSA-N 1 2 329.404 2.252 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)C1=O ZINC000281377168 464433220 /nfs/dbraw/zinc/43/32/20/464433220.db2.gz OUPBOQPGCUZPDU-CQSZACIVSA-N 1 2 339.798 2.136 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)C1=O ZINC000281377168 464433224 /nfs/dbraw/zinc/43/32/24/464433224.db2.gz OUPBOQPGCUZPDU-CQSZACIVSA-N 1 2 339.798 2.136 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1=O ZINC000281525635 464491546 /nfs/dbraw/zinc/49/15/46/464491546.db2.gz ZSJZXBWTPBMLLW-VKJFTORMSA-N 1 2 341.455 2.071 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1=O ZINC000281525635 464491547 /nfs/dbraw/zinc/49/15/47/464491547.db2.gz ZSJZXBWTPBMLLW-VKJFTORMSA-N 1 2 341.455 2.071 20 30 EEEDLO C=CCC[C@@H](C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1)c1ccccc1 ZINC000189503378 464521162 /nfs/dbraw/zinc/52/11/62/464521162.db2.gz BBHIMYLKDIRXNW-IEBWSBKVSA-N 1 2 329.488 2.489 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](CC)CC(=O)Nc2c(C)cccc2C)C1=O ZINC000281876331 464617831 /nfs/dbraw/zinc/61/78/31/464617831.db2.gz CQBMONRPUNRUQE-MRXNPFEDSA-N 1 2 329.444 2.351 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](CC)CC(=O)Nc2c(C)cccc2C)C1=O ZINC000281876331 464617833 /nfs/dbraw/zinc/61/78/33/464617833.db2.gz CQBMONRPUNRUQE-MRXNPFEDSA-N 1 2 329.444 2.351 20 30 EEEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CSCC#N)[C@@H](C)C1 ZINC000282011141 464668577 /nfs/dbraw/zinc/66/85/77/464668577.db2.gz YKTBMBGKZVHWSF-HNNXBMFYSA-N 1 2 347.484 2.375 20 30 EEEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CSCC#N)[C@@H](C)C1 ZINC000282011141 464668581 /nfs/dbraw/zinc/66/85/81/464668581.db2.gz YKTBMBGKZVHWSF-HNNXBMFYSA-N 1 2 347.484 2.375 20 30 EEEDLO C#CCSCCNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000265743639 464669455 /nfs/dbraw/zinc/66/94/55/464669455.db2.gz FSRORCCCGYOZMU-UHFFFAOYSA-N 1 2 332.473 2.238 20 30 EEEDLO C[C@@H]1COc2ccccc2C[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000273019609 464698878 /nfs/dbraw/zinc/69/88/78/464698878.db2.gz RXMQJZGWJMAZAI-OAHLLOKOSA-N 1 2 335.407 2.458 20 30 EEEDLO C[C@@H]1COc2ccccc2C[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000273019609 464698880 /nfs/dbraw/zinc/69/88/80/464698880.db2.gz RXMQJZGWJMAZAI-OAHLLOKOSA-N 1 2 335.407 2.458 20 30 EEEDLO C#CC[N@@H+](CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)C1CC1 ZINC000274238606 464738520 /nfs/dbraw/zinc/73/85/20/464738520.db2.gz XOVHEIWVRLUYQR-AWEZNQCLSA-N 1 2 330.428 2.287 20 30 EEEDLO C#CC[N@H+](CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)C1CC1 ZINC000274238606 464738526 /nfs/dbraw/zinc/73/85/26/464738526.db2.gz XOVHEIWVRLUYQR-AWEZNQCLSA-N 1 2 330.428 2.287 20 30 EEEDLO C=CCn1c(C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000282254239 464753310 /nfs/dbraw/zinc/75/33/10/464753310.db2.gz LAOBHCHYMUPKGY-UHFFFAOYSA-N 1 2 341.463 2.321 20 30 EEEDLO COc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C)cc1 ZINC000266195248 464768254 /nfs/dbraw/zinc/76/82/54/464768254.db2.gz JWRYMJDEAFQRKR-OLZOCXBDSA-N 1 2 337.420 2.372 20 30 EEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@H](C)C(=O)N1CCc2ccccc21 ZINC000266212987 464769427 /nfs/dbraw/zinc/76/94/27/464769427.db2.gz OZHIVCCHNJDOAB-UONOGXRCSA-N 1 2 333.432 2.314 20 30 EEEDLO N#C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000176611649 464810733 /nfs/dbraw/zinc/81/07/33/464810733.db2.gz ONOXWXSDVRJAKF-OALUTQOASA-N 1 2 341.455 2.476 20 30 EEEDLO N#C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000176611649 464810740 /nfs/dbraw/zinc/81/07/40/464810740.db2.gz ONOXWXSDVRJAKF-OALUTQOASA-N 1 2 341.455 2.476 20 30 EEEDLO C#CC(C)(C)[N@@H+](C)Cc1nc2oc(C)c(C(=O)OCC)c2c(N)n1 ZINC000286229514 464846988 /nfs/dbraw/zinc/84/69/88/464846988.db2.gz RHXUYHHFDRCYNI-UHFFFAOYSA-N 1 2 330.388 2.134 20 30 EEEDLO C#CC(C)(C)[N@H+](C)Cc1nc2oc(C)c(C(=O)OCC)c2c(N)n1 ZINC000286229514 464846991 /nfs/dbraw/zinc/84/69/91/464846991.db2.gz RHXUYHHFDRCYNI-UHFFFAOYSA-N 1 2 330.388 2.134 20 30 EEEDLO CC(C)(C[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1)C(N)=O ZINC000295527662 464870597 /nfs/dbraw/zinc/87/05/97/464870597.db2.gz IUIZWGIZBGXVRE-GFCCVEGCSA-N 1 2 348.472 2.172 20 30 EEEDLO CC(C)(C[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1)C(N)=O ZINC000295527662 464870598 /nfs/dbraw/zinc/87/05/98/464870598.db2.gz IUIZWGIZBGXVRE-GFCCVEGCSA-N 1 2 348.472 2.172 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCOCC3(CCC3)C1)CCC2 ZINC000329518529 465360653 /nfs/dbraw/zinc/36/06/53/465360653.db2.gz NOKFDWHTXFJXSC-HNNXBMFYSA-N 1 2 332.448 2.485 20 30 EEEDLO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C)[C@H](c3[nH+]ccn3C)C2)[C@@H]1C ZINC000329964217 465489893 /nfs/dbraw/zinc/48/98/93/465489893.db2.gz UITYLWWQPJEWPY-NCOADZHNSA-N 1 2 347.507 2.490 20 30 EEEDLO CCN1CC[N@H+](Cc2cn3ccccc3c2C#N)C[C@H]1c1ncc[nH]1 ZINC000348359750 465566657 /nfs/dbraw/zinc/56/66/57/465566657.db2.gz BMEKYSKBFWOTHK-SFHVURJKSA-N 1 2 334.427 2.413 20 30 EEEDLO CCN1CC[N@@H+](Cc2cn3ccccc3c2C#N)C[C@H]1c1ncc[nH]1 ZINC000348359750 465566667 /nfs/dbraw/zinc/56/66/67/465566667.db2.gz BMEKYSKBFWOTHK-SFHVURJKSA-N 1 2 334.427 2.413 20 30 EEEDLO CCn1nc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1C1CC1 ZINC000330281338 465596653 /nfs/dbraw/zinc/59/66/53/465596653.db2.gz ULUBNOFTPLBDIP-UHFFFAOYSA-N 1 2 342.447 2.882 20 30 EEEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000360814488 465613772 /nfs/dbraw/zinc/61/37/72/465613772.db2.gz SQMBXMLYOXRTDN-UHFFFAOYSA-N 1 2 340.471 2.205 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2cn3ccccc3n2)CCO1 ZINC000330335466 465618579 /nfs/dbraw/zinc/61/85/79/465618579.db2.gz ROPNWWSEWWHUTG-DOMZBBRYSA-N 1 2 325.372 2.293 20 30 EEEDLO C[C@@H]1CCC[C@H](CNC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000330334781 465619093 /nfs/dbraw/zinc/61/90/93/465619093.db2.gz QYZSWGBSGSJNSS-OWCLPIDISA-N 1 2 333.480 2.449 20 30 EEEDLO COc1ccc(C[NH2+][C@@H](C)c2nncn2C)cc1OCCCC#N ZINC000356910353 465621142 /nfs/dbraw/zinc/62/11/42/465621142.db2.gz CWZQUDGOTHKXKL-ZDUSSCGKSA-N 1 2 329.404 2.357 20 30 EEEDLO CC[C@](C)([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)OC ZINC000299186551 465641545 /nfs/dbraw/zinc/64/15/45/465641545.db2.gz ANUFIUOGOUONEJ-INIZCTEOSA-N 1 2 337.807 2.472 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](CC)CC(=O)N1CCCCCC1 ZINC000353176594 465696193 /nfs/dbraw/zinc/69/61/93/465696193.db2.gz UOOQDPXDNQOGMP-KRWDZBQOSA-N 1 2 335.492 2.300 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](CC)CC(=O)N1CCCCCC1 ZINC000353176594 465696207 /nfs/dbraw/zinc/69/62/07/465696207.db2.gz UOOQDPXDNQOGMP-KRWDZBQOSA-N 1 2 335.492 2.300 20 30 EEEDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000357113655 465783968 /nfs/dbraw/zinc/78/39/68/465783968.db2.gz ZXOXITBVMPRPFU-KRWDZBQOSA-N 1 2 329.444 2.328 20 30 EEEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000357113655 465783973 /nfs/dbraw/zinc/78/39/73/465783973.db2.gz ZXOXITBVMPRPFU-KRWDZBQOSA-N 1 2 329.444 2.328 20 30 EEEDLO C[NH+](C)[C@H](CNS(=O)(=O)CC1(C#N)CCCCC1)c1ccco1 ZINC000330888119 465847242 /nfs/dbraw/zinc/84/72/42/465847242.db2.gz UDNFSTMDGOAGQS-CQSZACIVSA-N 1 2 339.461 2.276 20 30 EEEDLO C#CCNC(=O)c1ccc(NCc2cn3cc(Cl)ccc3[nH+]2)nc1 ZINC000301270687 465933620 /nfs/dbraw/zinc/93/36/20/465933620.db2.gz XMURHUOCURDNQX-UHFFFAOYSA-N 1 2 339.786 2.358 20 30 EEEDLO Cc1cc(C)c(NC(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)c(C)[nH+]1 ZINC000331290432 466014236 /nfs/dbraw/zinc/01/42/36/466014236.db2.gz BDSHXFDKQHWPMB-OAHLLOKOSA-N 1 2 348.447 2.216 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000346374934 466092709 /nfs/dbraw/zinc/09/27/09/466092709.db2.gz IQIXSBKCIFBUGE-IBGZPJMESA-N 1 2 327.428 2.459 20 30 EEEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)NCC#Cc1cccc(F)c1 ZINC000346601917 466115681 /nfs/dbraw/zinc/11/56/81/466115681.db2.gz CKTLJOQXJIYMHK-QAPCUYQASA-N 1 2 337.398 2.461 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1csc(Cc2ccccc2)n1 ZINC000580203004 468472889 /nfs/dbraw/zinc/47/28/89/468472889.db2.gz YBRSIFOBAUGDRR-GOSISDBHSA-N 1 2 342.468 2.236 20 30 EEEDLO Cc1csc(=O)n1CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367128416 466147181 /nfs/dbraw/zinc/14/71/81/466147181.db2.gz ANMWNGIEMXCXKI-MRXNPFEDSA-N 1 2 329.425 2.163 20 30 EEEDLO Cc1csc(=O)n1CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367128416 466147187 /nfs/dbraw/zinc/14/71/87/466147187.db2.gz ANMWNGIEMXCXKI-MRXNPFEDSA-N 1 2 329.425 2.163 20 30 EEEDLO COC(=O)C(C)(C)CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000338549247 466214757 /nfs/dbraw/zinc/21/47/57/466214757.db2.gz OTOZVPRAGIEKRC-UHFFFAOYSA-N 1 2 329.444 2.265 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCOCC23CC3)c(OC)c1 ZINC000338597745 466248155 /nfs/dbraw/zinc/24/81/55/466248155.db2.gz PJPKTRFVTFTBGT-MRXNPFEDSA-N 1 2 333.428 2.028 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCOCC23CC3)c(OC)c1 ZINC000338597745 466248162 /nfs/dbraw/zinc/24/81/62/466248162.db2.gz PJPKTRFVTFTBGT-MRXNPFEDSA-N 1 2 333.428 2.028 20 30 EEEDLO CC(C)C(=O)N1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000332295885 466494515 /nfs/dbraw/zinc/49/45/15/466494515.db2.gz KABJFIJCMRZLBF-INIZCTEOSA-N 1 2 328.416 2.325 20 30 EEEDLO CC(C)C(=O)N1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000332295885 466494523 /nfs/dbraw/zinc/49/45/23/466494523.db2.gz KABJFIJCMRZLBF-INIZCTEOSA-N 1 2 328.416 2.325 20 30 EEEDLO COCC1(C#N)CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000347287557 466537845 /nfs/dbraw/zinc/53/78/45/466537845.db2.gz ACRYNRPDXZWLNS-UHFFFAOYSA-N 1 2 338.411 2.324 20 30 EEEDLO C=CCNC(=O)Cc1noc(/C=C/c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000350700734 466582662 /nfs/dbraw/zinc/58/26/62/466582662.db2.gz GBXHODGPDIVUFI-VMPITWQZSA-N 1 2 335.367 2.270 20 30 EEEDLO C[C@H](C#N)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000416440442 466734669 /nfs/dbraw/zinc/73/46/69/466734669.db2.gz OVJILXVEXZLCBU-OWYVNGRQSA-N 1 2 345.827 2.056 20 30 EEEDLO C[C@H](C#N)S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000416440442 466734672 /nfs/dbraw/zinc/73/46/72/466734672.db2.gz OVJILXVEXZLCBU-OWYVNGRQSA-N 1 2 345.827 2.056 20 30 EEEDLO COC(=O)[C@H]1CCC[N@H+](CCC2(C#N)CCCCC2)[C@@H]1C(=O)OC ZINC000411399987 466819780 /nfs/dbraw/zinc/81/97/80/466819780.db2.gz SNUSRWQUVQENPW-GJZGRUSLSA-N 1 2 336.432 2.277 20 30 EEEDLO COC(=O)[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)[C@@H]1C(=O)OC ZINC000411399987 466819787 /nfs/dbraw/zinc/81/97/87/466819787.db2.gz SNUSRWQUVQENPW-GJZGRUSLSA-N 1 2 336.432 2.277 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375759032 466873071 /nfs/dbraw/zinc/87/30/71/466873071.db2.gz CFYLJVGPRZGLJR-CHWSQXEVSA-N 1 2 347.253 2.265 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375759032 466873074 /nfs/dbraw/zinc/87/30/74/466873074.db2.gz CFYLJVGPRZGLJR-CHWSQXEVSA-N 1 2 347.253 2.265 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000373889035 466956095 /nfs/dbraw/zinc/95/60/95/466956095.db2.gz ANAIWXXPIFAMDT-DOTOQJQBSA-N 1 2 341.415 2.048 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000433462779 467334767 /nfs/dbraw/zinc/33/47/67/467334767.db2.gz LPRAGIIEPXUZQV-KRWDZBQOSA-N 1 2 340.427 2.494 20 30 EEEDLO C=CCOc1ccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cc1OC ZINC000413967886 467352558 /nfs/dbraw/zinc/35/25/58/467352558.db2.gz RHUBVJAAZGQMHD-UHFFFAOYSA-N 1 2 348.443 2.101 20 30 EEEDLO COc1cc(C#N)ccc1S(=O)(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420694747 467455285 /nfs/dbraw/zinc/45/52/85/467455285.db2.gz CNMXSBNYLNQLAB-UHFFFAOYSA-N 1 2 331.397 2.057 20 30 EEEDLO Cn1c2cc(F)ccc2[nH+]c1N1CCN(c2cc(C#N)ccn2)CC1 ZINC000431016204 467487007 /nfs/dbraw/zinc/48/70/07/467487007.db2.gz YZXGGOPJMWJBRL-UHFFFAOYSA-N 1 2 336.374 2.306 20 30 EEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2c(C#N)cccc2C#N)C1 ZINC000440656937 467570544 /nfs/dbraw/zinc/57/05/44/467570544.db2.gz UXACLUDUKUYNEZ-IBGZPJMESA-N 1 2 340.427 2.330 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000448923620 467605656 /nfs/dbraw/zinc/60/56/56/467605656.db2.gz WLBHJCQRNUUTIX-CVEARBPZSA-N 1 2 335.473 2.077 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000448923620 467605657 /nfs/dbraw/zinc/60/56/57/467605657.db2.gz WLBHJCQRNUUTIX-CVEARBPZSA-N 1 2 335.473 2.077 20 30 EEEDLO CCC(C#N)(CC)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000527981402 467670167 /nfs/dbraw/zinc/67/01/67/467670167.db2.gz OVVDVBQVSQEPHY-CQSZACIVSA-N 1 2 330.432 2.253 20 30 EEEDLO Cc1ccncc1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000455405118 467675674 /nfs/dbraw/zinc/67/56/74/467675674.db2.gz STKDCFBFFOQZGR-UHFFFAOYSA-N 1 2 349.438 2.289 20 30 EEEDLO CC(C)(CC#N)CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000457740683 467693134 /nfs/dbraw/zinc/69/31/34/467693134.db2.gz NZFBNLVOEOUVBJ-KRWDZBQOSA-N 1 2 344.459 2.299 20 30 EEEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc(C)ccc3F)CC2)c1C#N ZINC000471812020 467976281 /nfs/dbraw/zinc/97/62/81/467976281.db2.gz QKKDFMIARLHQNG-UHFFFAOYSA-N 1 2 327.407 2.370 20 30 EEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1 ZINC000516488209 468029707 /nfs/dbraw/zinc/02/97/07/468029707.db2.gz AFNUZINONSLPQJ-ZDUSSCGKSA-N 1 2 326.404 2.309 20 30 EEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488774593 468103777 /nfs/dbraw/zinc/10/37/77/468103777.db2.gz ZFRVAGPRZBNVHY-QGZVFWFLSA-N 1 2 342.443 2.145 20 30 EEEDLO COc1cc(C#N)ccc1C[N@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488774593 468103778 /nfs/dbraw/zinc/10/37/78/468103778.db2.gz ZFRVAGPRZBNVHY-QGZVFWFLSA-N 1 2 342.443 2.145 20 30 EEEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000532347503 468113785 /nfs/dbraw/zinc/11/37/85/468113785.db2.gz DZVZVWRBRZVNCJ-IUODEOHRSA-N 1 2 348.403 2.166 20 30 EEEDLO CCCNC(=O)C[N@H+](CCC)Cc1cccc(C(=O)OC)c1C#N ZINC000550001811 468203996 /nfs/dbraw/zinc/20/39/96/468203996.db2.gz WKFJEKQBBWFCSI-UHFFFAOYSA-N 1 2 331.416 2.083 20 30 EEEDLO CCCNC(=O)C[N@@H+](CCC)Cc1cccc(C(=O)OC)c1C#N ZINC000550001811 468204001 /nfs/dbraw/zinc/20/40/01/468204001.db2.gz WKFJEKQBBWFCSI-UHFFFAOYSA-N 1 2 331.416 2.083 20 30 EEEDLO C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000490721814 468241281 /nfs/dbraw/zinc/24/12/81/468241281.db2.gz YQSOGJZEKSYSLF-UHFFFAOYSA-N 1 2 347.374 2.298 20 30 EEEDLO C#CC[N@@H+](CC[C@@H](C)OCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000490740217 468244266 /nfs/dbraw/zinc/24/42/66/468244266.db2.gz JPVUTQNPKSRWCY-AEFFLSMTSA-N 1 2 335.469 2.104 20 30 EEEDLO C#CC[N@H+](CC[C@@H](C)OCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000490740217 468244271 /nfs/dbraw/zinc/24/42/71/468244271.db2.gz JPVUTQNPKSRWCY-AEFFLSMTSA-N 1 2 335.469 2.104 20 30 EEEDLO C#CCN(CC)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000490893262 468262697 /nfs/dbraw/zinc/26/26/97/468262697.db2.gz SIDFMNVRBNEZKN-DLBZAZTESA-N 1 2 349.862 2.376 20 30 EEEDLO C#CCN(CC)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000490893262 468262703 /nfs/dbraw/zinc/26/27/03/468262703.db2.gz SIDFMNVRBNEZKN-DLBZAZTESA-N 1 2 349.862 2.376 20 30 EEEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000594216905 468516417 /nfs/dbraw/zinc/51/64/17/468516417.db2.gz XZIOHCVCKUMSLL-KRWDZBQOSA-N 1 2 348.450 2.476 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1C#N ZINC000591851642 468531426 /nfs/dbraw/zinc/53/14/26/468531426.db2.gz VNJCJTHTRXMHPB-QGZVFWFLSA-N 1 2 347.426 2.481 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c1C#N ZINC000591851642 468531432 /nfs/dbraw/zinc/53/14/32/468531432.db2.gz VNJCJTHTRXMHPB-QGZVFWFLSA-N 1 2 347.426 2.481 20 30 EEEDLO Cc1cc(N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000569839187 468552203 /nfs/dbraw/zinc/55/22/03/468552203.db2.gz FNGIIZMIXQOKCW-GOSISDBHSA-N 1 2 334.423 2.329 20 30 EEEDLO C[C@H]1SCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000592054583 468607726 /nfs/dbraw/zinc/60/77/26/468607726.db2.gz VYRBFTXNYRKZIC-PBHICJAKSA-N 1 2 344.484 2.279 20 30 EEEDLO CCCCNC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000600829561 468667344 /nfs/dbraw/zinc/66/73/44/468667344.db2.gz KREKIQACFAVRPH-MAUKXSAKSA-N 1 2 346.450 2.313 20 30 EEEDLO N#C[C@H]1CC[C@@H](n2cc(C[NH+]3CCN(c4ccccc4)CC3)nn2)C1 ZINC000600972730 468701727 /nfs/dbraw/zinc/70/17/27/468701727.db2.gz DGQLYYWOTYOWAU-QFBILLFUSA-N 1 2 336.443 2.465 20 30 EEEDLO COc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1Br ZINC000571330271 468773265 /nfs/dbraw/zinc/77/32/65/468773265.db2.gz HBHHATSMMHSCAK-CQSZACIVSA-N 1 2 340.221 2.031 20 30 EEEDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1c(C)cc(F)cc1C#N ZINC000601431297 468869721 /nfs/dbraw/zinc/86/97/21/468869721.db2.gz JZDHIOHTUVCZRU-OAHLLOKOSA-N 1 2 339.436 2.111 20 30 EEEDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1c(C)cc(F)cc1C#N ZINC000601431297 468869727 /nfs/dbraw/zinc/86/97/27/468869727.db2.gz JZDHIOHTUVCZRU-OAHLLOKOSA-N 1 2 339.436 2.111 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CCCN(c3cccc(F)c3F)CC2)CCC1 ZINC000595504185 468878992 /nfs/dbraw/zinc/87/89/92/468878992.db2.gz FTALOTNJFDZDQX-UHFFFAOYSA-N 1 2 348.397 2.039 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(c3cccc(F)c3F)CC2)CCC1 ZINC000595504185 468878998 /nfs/dbraw/zinc/87/89/98/468878998.db2.gz FTALOTNJFDZDQX-UHFFFAOYSA-N 1 2 348.397 2.039 20 30 EEEDLO C[C@H](NC[C@H](C#N)CCC#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562189230 468921934 /nfs/dbraw/zinc/92/19/34/468921934.db2.gz PSTXVXCTDZPVLC-YTQUADARSA-N 1 2 326.444 2.309 20 30 EEEDLO C[C@H](NC[C@H](C#N)CCC#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562189230 468921937 /nfs/dbraw/zinc/92/19/37/468921937.db2.gz PSTXVXCTDZPVLC-YTQUADARSA-N 1 2 326.444 2.309 20 30 EEEDLO CN(C)c1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)cn1 ZINC000595629668 468930946 /nfs/dbraw/zinc/93/09/46/468930946.db2.gz HYMTYOQGBCIVRQ-UHFFFAOYSA-N 1 2 327.457 2.403 20 30 EEEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000602802118 469086503 /nfs/dbraw/zinc/08/65/03/469086503.db2.gz OJZJUYJQVIDHRB-SFHVURJKSA-N 1 2 325.391 2.041 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000614924905 469096166 /nfs/dbraw/zinc/09/61/66/469096166.db2.gz OWWKZLFEDOFJPI-OCCSQVGLSA-N 1 2 335.370 2.038 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000614924905 469096170 /nfs/dbraw/zinc/09/61/70/469096170.db2.gz OWWKZLFEDOFJPI-OCCSQVGLSA-N 1 2 335.370 2.038 20 30 EEEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000602863771 469127349 /nfs/dbraw/zinc/12/73/49/469127349.db2.gz PQCOZHHAIHSVKE-NSHDSACASA-N 1 2 329.322 2.092 20 30 EEEDLO COc1ccc(C[N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)cn1 ZINC000610999202 469135788 /nfs/dbraw/zinc/13/57/88/469135788.db2.gz LSMVJKJOHJKHJD-UHFFFAOYSA-N 1 2 330.432 2.207 20 30 EEEDLO COc1ccc(C[N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)cn1 ZINC000610999202 469135794 /nfs/dbraw/zinc/13/57/94/469135794.db2.gz LSMVJKJOHJKHJD-UHFFFAOYSA-N 1 2 330.432 2.207 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C/C=C/Cc1ccccc1 ZINC000602085090 469181212 /nfs/dbraw/zinc/18/12/12/469181212.db2.gz GITUDCHMLJXNIR-SNAWJCMRSA-N 1 2 341.455 2.250 20 30 EEEDLO C[C@H](NC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccccc1Cl ZINC000611174376 469181761 /nfs/dbraw/zinc/18/17/61/469181761.db2.gz HOHOZKGGIORKEE-AWEZNQCLSA-N 1 2 334.851 2.048 20 30 EEEDLO CC(C)(C)n1ncc2c1nc(NCc1ccc(C#N)c(F)c1)[nH+]c2N ZINC000596261583 469224663 /nfs/dbraw/zinc/22/46/63/469224663.db2.gz GDMXQXRESDBIBZ-UHFFFAOYSA-N 1 2 339.378 2.786 20 30 EEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@]23CCNC3=O)c1 ZINC000573931348 469232824 /nfs/dbraw/zinc/23/28/24/469232824.db2.gz SAIZCCHIFUPOAM-OAHLLOKOSA-N 1 2 334.217 2.175 20 30 EEEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@]23CCNC3=O)c1 ZINC000573931348 469232833 /nfs/dbraw/zinc/23/28/33/469232833.db2.gz SAIZCCHIFUPOAM-OAHLLOKOSA-N 1 2 334.217 2.175 20 30 EEEDLO N#Cc1cc(F)cc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000603081269 469254501 /nfs/dbraw/zinc/25/45/01/469254501.db2.gz ODDIEAAMZRWUFY-UHFFFAOYSA-N 1 2 339.374 2.442 20 30 EEEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1ccc(CC#N)cc1 ZINC000599446665 469260760 /nfs/dbraw/zinc/26/07/60/469260760.db2.gz WCXUNJQZKBVYFP-IBGZPJMESA-N 1 2 332.411 2.357 20 30 EEEDLO CC[N@H+](C[C@H](O)COc1ccccc1C#N)[C@H](C)C(=O)OC(C)(C)C ZINC000599467910 469267478 /nfs/dbraw/zinc/26/74/78/469267478.db2.gz ATBSIWGHUXYRBC-ZBFHGGJFSA-N 1 2 348.443 2.350 20 30 EEEDLO CC[N@@H+](C[C@H](O)COc1ccccc1C#N)[C@H](C)C(=O)OC(C)(C)C ZINC000599467910 469267481 /nfs/dbraw/zinc/26/74/81/469267481.db2.gz ATBSIWGHUXYRBC-ZBFHGGJFSA-N 1 2 348.443 2.350 20 30 EEEDLO COC1CC[NH+](Cc2cn([C@@H](C)c3cccc(C#N)c3)nn2)CC1 ZINC000603237329 469319535 /nfs/dbraw/zinc/31/95/35/469319535.db2.gz VXDVNHPQYBOPJL-AWEZNQCLSA-N 1 2 325.416 2.370 20 30 EEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000612174659 469411610 /nfs/dbraw/zinc/41/16/10/469411610.db2.gz WRXZWSKGEXOYKH-MSOLQXFVSA-N 1 2 339.370 2.377 20 30 EEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000612174659 469411614 /nfs/dbraw/zinc/41/16/14/469411614.db2.gz WRXZWSKGEXOYKH-MSOLQXFVSA-N 1 2 339.370 2.377 20 30 EEEDLO C=CCC1(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000618248047 469939034 /nfs/dbraw/zinc/93/90/34/469939034.db2.gz SEWXIOMCZISHIO-SFHVURJKSA-N 1 2 344.455 2.129 20 30 EEEDLO C=CCC1(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000618248047 469939037 /nfs/dbraw/zinc/93/90/37/469939037.db2.gz SEWXIOMCZISHIO-SFHVURJKSA-N 1 2 344.455 2.129 20 30 EEEDLO C=CCn1cc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)nn1 ZINC000648746300 470332775 /nfs/dbraw/zinc/33/27/75/470332775.db2.gz UAMBZDKWGKWKGG-UHFFFAOYSA-N 1 2 346.460 2.405 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000640110031 470789694 /nfs/dbraw/zinc/78/96/94/470789694.db2.gz IUWUKHPVIHTNLY-QGZVFWFLSA-N 1 2 345.487 2.323 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(O)cc2)CC1 ZINC000640110031 470789701 /nfs/dbraw/zinc/78/97/01/470789701.db2.gz IUWUKHPVIHTNLY-QGZVFWFLSA-N 1 2 345.487 2.323 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@H](CC)C(=O)NCc2cccs2)nn1 ZINC000657499074 471152623 /nfs/dbraw/zinc/15/26/23/471152623.db2.gz SYVIWQIKBBLULS-OAHLLOKOSA-N 1 2 333.461 2.100 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000655621833 471411688 /nfs/dbraw/zinc/41/16/88/471411688.db2.gz WSLVTYAQIZCTQL-IRXDYDNUSA-N 1 2 342.443 2.330 20 30 EEEDLO C=C(CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1)c1ccccc1 ZINC000664899432 471891628 /nfs/dbraw/zinc/89/16/28/471891628.db2.gz GZKSREOCAYOTLP-UHFFFAOYSA-N 1 2 343.471 2.454 20 30 EEEDLO CCN1CCN(C(=O)Nc2ccc(CC#N)cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000548665349 485557719 /nfs/dbraw/zinc/55/77/19/485557719.db2.gz BZDHSADKKBHMND-INIZCTEOSA-N 1 2 338.415 2.386 20 30 EEEDLO CCC#C[C@@H](C)[NH+]1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000677047467 486367673 /nfs/dbraw/zinc/36/76/73/486367673.db2.gz BNLVCFZXEPUAMT-MJGOQNOKSA-N 1 2 325.456 2.211 20 30 EEEDLO C=CC[N@@H+](CCOC)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000191149571 526304478 /nfs/dbraw/zinc/30/44/78/526304478.db2.gz XJGLZGMVSHIOJV-ZDUSSCGKSA-N 1 2 327.222 2.110 20 30 EEEDLO C=CC[N@H+](CCOC)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000191149571 526304482 /nfs/dbraw/zinc/30/44/82/526304482.db2.gz XJGLZGMVSHIOJV-ZDUSSCGKSA-N 1 2 327.222 2.110 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554489 526535579 /nfs/dbraw/zinc/53/55/79/526535579.db2.gz HTUMHASCSFTLTL-QGZVFWFLSA-N 1 2 340.471 2.493 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccc2CC)CC1 ZINC000339002201 526770438 /nfs/dbraw/zinc/77/04/38/526770438.db2.gz JMCWRUXWJWFIMS-QGZVFWFLSA-N 1 2 346.471 2.363 20 30 EEEDLO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000101564997 527946876 /nfs/dbraw/zinc/94/68/76/527946876.db2.gz GIVRRIMUDCOOND-JKSUJKDBSA-N 1 2 348.491 2.098 20 30 EEEDLO CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000101564997 527946881 /nfs/dbraw/zinc/94/68/81/527946881.db2.gz GIVRRIMUDCOOND-JKSUJKDBSA-N 1 2 348.491 2.098 20 30 EEEDLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000728915705 576559755 /nfs/dbraw/zinc/55/97/55/576559755.db2.gz KXLBLGSGUCLUDE-BOFQVRIASA-N 1 2 341.455 2.077 20 30 EEEDLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000728915705 576559757 /nfs/dbraw/zinc/55/97/57/576559757.db2.gz KXLBLGSGUCLUDE-BOFQVRIASA-N 1 2 341.455 2.077 20 30 EEEDLO C#C[C@H](NC(=O)NCCNc1ccc2ccccc2[nH+]1)[C@H]1CCCO1 ZINC000776229075 577455260 /nfs/dbraw/zinc/45/52/60/577455260.db2.gz UKSURMSFUSZMNI-DOTOQJQBSA-N 1 2 338.411 2.127 20 30 EEEDLO C#C[C@@H](NC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2)[C@H]1CCCO1 ZINC000776403657 577459040 /nfs/dbraw/zinc/45/90/40/577459040.db2.gz BAXWEFPLAUJBKB-VQIMIIECSA-N 1 2 349.434 2.133 20 30 EEEDLO C#C[C@@H](NC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2)[C@H]1CCCO1 ZINC000776403657 577459041 /nfs/dbraw/zinc/45/90/41/577459041.db2.gz BAXWEFPLAUJBKB-VQIMIIECSA-N 1 2 349.434 2.133 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(-c3ccccc3)nc2C)CC1 ZINC000765360114 577499747 /nfs/dbraw/zinc/49/97/47/577499747.db2.gz SQGNMMHQBOGRTL-UHFFFAOYSA-N 1 2 334.423 2.233 20 30 EEEDLO C=CCNC(=S)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000765518066 577502382 /nfs/dbraw/zinc/50/23/82/577502382.db2.gz KJNZJUWERQOECA-CABCVRRESA-N 1 2 339.892 2.362 20 30 EEEDLO C=CCNC(=S)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000765518066 577502383 /nfs/dbraw/zinc/50/23/83/577502383.db2.gz KJNZJUWERQOECA-CABCVRRESA-N 1 2 339.892 2.362 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)O[C@@H](Cc2ccccc2F)C(C)=O)CC1 ZINC000768694011 577561016 /nfs/dbraw/zinc/56/10/16/577561016.db2.gz YCPOOTAOJVJCHF-SFHVURJKSA-N 1 2 331.387 2.214 20 30 EEEDLO C[NH2+]CCCc1[nH]nc(NC(=O)c2c(O)cccc2Cl)c1C#N ZINC000760308642 577660455 /nfs/dbraw/zinc/66/04/55/577660455.db2.gz VNHYDHICMLIKSB-UHFFFAOYSA-N 1 2 333.779 2.045 20 30 EEEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc[nH]1 ZINC000760349206 577661321 /nfs/dbraw/zinc/66/13/21/577661321.db2.gz UAGVWCNSBYXXTH-HNNXBMFYSA-N 1 2 337.427 2.475 20 30 EEEDLO C=CCN1CC(=O)N([C@H](c2[nH+]ccn2C)c2ccc(F)cc2)C1=O ZINC000760971628 577673309 /nfs/dbraw/zinc/67/33/09/577673309.db2.gz SIEUYLUOMZWRMQ-HNNXBMFYSA-N 1 2 328.347 2.099 20 30 EEEDLO N#Cc1cccc([C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)CCO2)c1 ZINC000762313964 577699012 /nfs/dbraw/zinc/69/90/12/577699012.db2.gz XWUSAIRORJHWDK-KRWDZBQOSA-N 1 2 332.363 2.420 20 30 EEEDLO Cc1ncc(CO)c(/C=[NH+]\CCc2ccn(-c3ccccc3)n2)c1O ZINC000750949132 577745763 /nfs/dbraw/zinc/74/57/63/577745763.db2.gz SHNDXRKBQUVULD-NDENLUEZSA-N 1 2 336.395 2.435 20 30 EEEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000751665422 577757089 /nfs/dbraw/zinc/75/70/89/577757089.db2.gz CDIPBQBCIVXOPU-HZPDHXFCSA-N 1 2 330.384 2.190 20 30 EEEDLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000751665422 577757090 /nfs/dbraw/zinc/75/70/90/577757090.db2.gz CDIPBQBCIVXOPU-HZPDHXFCSA-N 1 2 330.384 2.190 20 30 EEEDLO C=CCn1nnn(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c1=S ZINC000753101309 577781536 /nfs/dbraw/zinc/78/15/36/577781536.db2.gz ZMWLMKVQQHKXGY-MRXNPFEDSA-N 1 2 345.472 2.286 20 30 EEEDLO C=CCn1nnn(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)c1=S ZINC000753101309 577781537 /nfs/dbraw/zinc/78/15/37/577781537.db2.gz ZMWLMKVQQHKXGY-MRXNPFEDSA-N 1 2 345.472 2.286 20 30 EEEDLO C=CCOc1ccc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000753896001 577795729 /nfs/dbraw/zinc/79/57/29/577795729.db2.gz DWEMGWNPGIODQE-IYBDPMFKSA-N 1 2 347.411 2.280 20 30 EEEDLO C=CCOc1ccc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000753896001 577795730 /nfs/dbraw/zinc/79/57/30/577795730.db2.gz DWEMGWNPGIODQE-IYBDPMFKSA-N 1 2 347.411 2.280 20 30 EEEDLO O=[N+]([O-])c1ccccc1N[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000755466283 577825495 /nfs/dbraw/zinc/82/54/95/577825495.db2.gz YJYDCGWOHQWZMM-UHFFFAOYSA-N 1 2 333.373 2.334 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CCCOc2ccc(OCC)cc2)CC1 ZINC000744422870 577897579 /nfs/dbraw/zinc/89/75/79/577897579.db2.gz BIVYYPDALOXEFN-UHFFFAOYSA-N 1 2 330.428 2.022 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)OCC(C)C)CC1 ZINC000749251230 577973543 /nfs/dbraw/zinc/97/35/43/577973543.db2.gz XMVCJAFHRMCQBF-MRXNPFEDSA-N 1 2 339.480 2.210 20 30 EEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H](C)C(=O)OCCC ZINC000735419926 578152973 /nfs/dbraw/zinc/15/29/73/578152973.db2.gz KLEJRVITPSYCQR-CYBMUJFWSA-N 1 2 329.404 2.196 20 30 EEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H](C)C(=O)OCCC ZINC000735419926 578152974 /nfs/dbraw/zinc/15/29/74/578152974.db2.gz KLEJRVITPSYCQR-CYBMUJFWSA-N 1 2 329.404 2.196 20 30 EEEDLO CC(C)OCC[NH+]1CCC([NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000827027570 601349099 /nfs/dbraw/zinc/34/90/99/601349099.db2.gz QTKIOQVCUFBYIL-SFHVURJKSA-N 1 2 345.443 2.163 20 30 EEEDLO C=CC[C@@H]1CCN1C(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000890553534 674764269 /nfs/dbraw/zinc/76/42/69/674764269.db2.gz VTSDYFNREFRLPD-IIDMSEBBSA-N 1 2 344.459 2.287 20 30 EEEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC000969463504 675059367 /nfs/dbraw/zinc/05/93/67/675059367.db2.gz OGGSWOHOBPMLCM-LLVKDONJSA-N 1 2 343.818 2.185 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nc(C)ncc2Cl)C1 ZINC000970523187 675959851 /nfs/dbraw/zinc/95/98/51/675959851.db2.gz KFCVJFIFRXVRPF-VIFPVBQESA-N 1 2 329.231 2.241 20 30 EEEDLO CCn1ccc(C(=O)N[C@H](C)C2C[NH+](Cc3ccccc3C#N)C2)n1 ZINC000970531534 675964650 /nfs/dbraw/zinc/96/46/50/675964650.db2.gz IKWYMIOSHWACRD-CQSZACIVSA-N 1 2 337.427 2.025 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970595558 676010658 /nfs/dbraw/zinc/01/06/58/676010658.db2.gz FCZUYUCDOUQAED-GFCCVEGCSA-N 1 2 337.427 2.149 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2scc3c2OCCO3)C1 ZINC000970683039 676074837 /nfs/dbraw/zinc/07/48/37/676074837.db2.gz FMWAPWIVDOQYPD-SNVBAGLBSA-N 1 2 342.848 2.322 20 30 EEEDLO CCc1ncoc1C(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970396910 675850617 /nfs/dbraw/zinc/85/06/17/675850617.db2.gz YZZQHOPPJLQZQW-CYBMUJFWSA-N 1 2 338.411 2.359 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC000970931708 676250464 /nfs/dbraw/zinc/25/04/64/676250464.db2.gz PFEWJGYZMAISKS-LBPRGKRZSA-N 1 2 345.834 2.274 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)nc2ccccc12 ZINC000971221848 676445139 /nfs/dbraw/zinc/44/51/39/676445139.db2.gz RRSYWVVQYAFNOB-DZGCQCFKSA-N 1 2 337.427 2.131 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)nc2ccccc12 ZINC000971221848 676445140 /nfs/dbraw/zinc/44/51/40/676445140.db2.gz RRSYWVVQYAFNOB-DZGCQCFKSA-N 1 2 337.427 2.131 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccncc2F)C1 ZINC000971257562 676460784 /nfs/dbraw/zinc/46/07/84/676460784.db2.gz NTBCZISLCLPFQJ-LLVKDONJSA-N 1 2 342.212 2.276 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccncc2F)C1 ZINC000971257562 676460786 /nfs/dbraw/zinc/46/07/86/676460786.db2.gz NTBCZISLCLPFQJ-LLVKDONJSA-N 1 2 342.212 2.276 20 30 EEEDLO C[N@H+](Cc1ncc(C2CC2)o1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971291128 676472469 /nfs/dbraw/zinc/47/24/69/676472469.db2.gz HNMGHFSNRPHCMA-AWEZNQCLSA-N 1 2 339.399 2.098 20 30 EEEDLO C[N@@H+](Cc1ncc(C2CC2)o1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971291128 676472470 /nfs/dbraw/zinc/47/24/70/676472470.db2.gz HNMGHFSNRPHCMA-AWEZNQCLSA-N 1 2 339.399 2.098 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(C(C)C)s3)C2)C1 ZINC000972702597 679685736 /nfs/dbraw/zinc/68/57/36/679685736.db2.gz LDIOQCDNBTTYFM-SFHVURJKSA-N 1 2 347.484 2.207 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(C(C)C)s3)C2)C1 ZINC000972702597 679685737 /nfs/dbraw/zinc/68/57/37/679685737.db2.gz LDIOQCDNBTTYFM-SFHVURJKSA-N 1 2 347.484 2.207 20 30 EEEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CC(=O)NC[C@@H]2c2ccccc2)cc1 ZINC000933327093 676592963 /nfs/dbraw/zinc/59/29/63/676592963.db2.gz PPSCLZKNQFIKRG-GOSISDBHSA-N 1 2 348.406 2.060 20 30 EEEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CC(=O)NC[C@@H]2c2ccccc2)cc1 ZINC000933327093 676592964 /nfs/dbraw/zinc/59/29/64/676592964.db2.gz PPSCLZKNQFIKRG-GOSISDBHSA-N 1 2 348.406 2.060 20 30 EEEDLO O=C(NCC#C[C@H]1CCCCO1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000891741659 676811002 /nfs/dbraw/zinc/81/10/02/676811002.db2.gz QFISHFCSUZVQMM-QGZVFWFLSA-N 1 2 342.443 2.054 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@H+](C)Cc2noc3c2COCC3)C1 ZINC000972246990 678445558 /nfs/dbraw/zinc/44/55/58/678445558.db2.gz RMYFNLZKWVIFHA-IFXJQAMLSA-N 1 2 347.459 2.382 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)Cc2noc3c2COCC3)C1 ZINC000972246990 678445559 /nfs/dbraw/zinc/44/55/59/678445559.db2.gz RMYFNLZKWVIFHA-IFXJQAMLSA-N 1 2 347.459 2.382 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(F)c(C)cc3F)C2)C1 ZINC000972419708 678715440 /nfs/dbraw/zinc/71/54/40/678715440.db2.gz IBCPNWVEKPJKFN-SFHVURJKSA-N 1 2 336.382 2.376 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(F)c(C)cc3F)C2)C1 ZINC000972419708 678715444 /nfs/dbraw/zinc/71/54/44/678715444.db2.gz IBCPNWVEKPJKFN-SFHVURJKSA-N 1 2 336.382 2.376 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)sc3C)C2)C1 ZINC000972454401 678774440 /nfs/dbraw/zinc/77/44/40/678774440.db2.gz WDFALDRNAOQOCE-SFHVURJKSA-N 1 2 332.469 2.305 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)sc3C)C2)C1 ZINC000972454401 678774443 /nfs/dbraw/zinc/77/44/43/678774443.db2.gz WDFALDRNAOQOCE-SFHVURJKSA-N 1 2 332.469 2.305 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](c3ccncc3)C(C)C)C2)C1 ZINC000972518868 679143343 /nfs/dbraw/zinc/14/33/43/679143343.db2.gz PMXKIBMLVQRVJM-UYAOXDASSA-N 1 2 343.471 2.311 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](c3ccncc3)C(C)C)C2)C1 ZINC000972518868 679143346 /nfs/dbraw/zinc/14/33/46/679143346.db2.gz PMXKIBMLVQRVJM-UYAOXDASSA-N 1 2 343.471 2.311 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc4cc[nH]c43)C2)C1 ZINC000972563082 679298874 /nfs/dbraw/zinc/29/88/74/679298874.db2.gz LBEMFDSRHLMQNY-LJQANCHMSA-N 1 2 325.412 2.271 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc4cc[nH]c43)C2)C1 ZINC000972563082 679298875 /nfs/dbraw/zinc/29/88/75/679298875.db2.gz LBEMFDSRHLMQNY-LJQANCHMSA-N 1 2 325.412 2.271 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc(OCC)c3)C2)C1 ZINC000972573974 679333921 /nfs/dbraw/zinc/33/39/21/679333921.db2.gz VDFJONUOWDZLDA-LJQANCHMSA-N 1 2 330.428 2.188 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc(OCC)c3)C2)C1 ZINC000972573974 679333923 /nfs/dbraw/zinc/33/39/23/679333923.db2.gz VDFJONUOWDZLDA-LJQANCHMSA-N 1 2 330.428 2.188 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3coc(C4CCC4)n3)C2)C1 ZINC000972628022 679453388 /nfs/dbraw/zinc/45/33/88/679453388.db2.gz LTCDHWXFEBNPAB-SFHVURJKSA-N 1 2 331.416 2.045 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3coc(C4CCC4)n3)C2)C1 ZINC000972628022 679453390 /nfs/dbraw/zinc/45/33/90/679453390.db2.gz LTCDHWXFEBNPAB-SFHVURJKSA-N 1 2 331.416 2.045 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)c(CC)o3)C2)C1 ZINC000972634042 679469654 /nfs/dbraw/zinc/46/96/54/679469654.db2.gz JTNGAILSBAFOQO-IBGZPJMESA-N 1 2 330.428 2.091 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)c(CC)o3)C2)C1 ZINC000972634042 679469655 /nfs/dbraw/zinc/46/96/55/679469655.db2.gz JTNGAILSBAFOQO-IBGZPJMESA-N 1 2 330.428 2.091 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3c[nH]c4ccccc34)C2)C1 ZINC000972648411 679505174 /nfs/dbraw/zinc/50/51/74/679505174.db2.gz AJORTQYUHOHNFH-FQEVSTJZSA-N 1 2 339.439 2.200 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3c[nH]c4ccccc34)C2)C1 ZINC000972648411 679505177 /nfs/dbraw/zinc/50/51/77/679505177.db2.gz AJORTQYUHOHNFH-FQEVSTJZSA-N 1 2 339.439 2.200 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(F)F)o3)C2)C1 ZINC000972658650 679522451 /nfs/dbraw/zinc/52/24/51/679522451.db2.gz FZCDXQPAHYNLTQ-INIZCTEOSA-N 1 2 326.343 2.320 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(F)F)o3)C2)C1 ZINC000972658650 679522452 /nfs/dbraw/zinc/52/24/52/679522452.db2.gz FZCDXQPAHYNLTQ-INIZCTEOSA-N 1 2 326.343 2.320 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cncc4ccccc43)C2)C1 ZINC000972688852 679605899 /nfs/dbraw/zinc/60/58/99/679605899.db2.gz RCJCBGKSQBVEMT-OAQYLSRUSA-N 1 2 349.434 2.175 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cncc4ccccc43)C2)C1 ZINC000972688852 679605900 /nfs/dbraw/zinc/60/59/00/679605900.db2.gz RCJCBGKSQBVEMT-OAQYLSRUSA-N 1 2 349.434 2.175 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc4oc(C)nc43)C2)C1 ZINC000972692325 679614109 /nfs/dbraw/zinc/61/41/09/679614109.db2.gz NGLCWZIPIDCCDE-LJQANCHMSA-N 1 2 341.411 2.239 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc4oc(C)nc43)C2)C1 ZINC000972692325 679614111 /nfs/dbraw/zinc/61/41/11/679614111.db2.gz NGLCWZIPIDCCDE-LJQANCHMSA-N 1 2 341.411 2.239 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccccc3CC(C)C)C2)C1 ZINC000972695742 679621417 /nfs/dbraw/zinc/62/14/17/679621417.db2.gz JUYPRGWEUFOROY-OAQYLSRUSA-N 1 2 340.467 2.435 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccccc3CC(C)C)C2)C1 ZINC000972695742 679621420 /nfs/dbraw/zinc/62/14/20/679621420.db2.gz JUYPRGWEUFOROY-OAQYLSRUSA-N 1 2 340.467 2.435 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(CC)on2)C1 ZINC000972757885 679751039 /nfs/dbraw/zinc/75/10/39/679751039.db2.gz XDPQPAFVRNGHLU-LLVKDONJSA-N 1 2 342.237 2.292 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2cc(CC)on2)C1 ZINC000972757885 679751040 /nfs/dbraw/zinc/75/10/40/679751040.db2.gz XDPQPAFVRNGHLU-LLVKDONJSA-N 1 2 342.237 2.292 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2nc[nH]c2n1 ZINC001024499874 679989016 /nfs/dbraw/zinc/98/90/16/679989016.db2.gz QSAXXUQHXPALSO-LBPRGKRZSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2nc[nH]c2n1 ZINC001024499874 679989019 /nfs/dbraw/zinc/98/90/19/679989019.db2.gz QSAXXUQHXPALSO-LBPRGKRZSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2cncc2C1 ZINC001024514493 680014828 /nfs/dbraw/zinc/01/48/28/680014828.db2.gz ZRIRLQPVWJCHGQ-GJZGRUSLSA-N 1 2 336.867 2.169 20 30 EEEDLO 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328.397 2.143 20 30 EEEDLO Cc1nn(Cc2ccccc2)c(Cl)c1C=NNC1=[NH+]C[C@H](C)N1 ZINC000779795191 1210972225 /nfs/dbraw/zinc/97/22/25/1210972225.db2.gz PLDWSFPYIUCVLZ-NSHDSACASA-N 1 2 330.823 2.164 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000953385330 1211789938 /nfs/dbraw/zinc/78/99/38/1211789938.db2.gz RAUZGVOUOBOUOA-HUUCEWRRSA-N 1 2 344.459 2.004 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000954096335 1212448785 /nfs/dbraw/zinc/44/87/85/1212448785.db2.gz OBQFPXXGPIPJMO-UHFFFAOYSA-N 1 2 346.475 2.349 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC(N(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC000954096362 1212449032 /nfs/dbraw/zinc/44/90/32/1212449032.db2.gz PHOANVGFMMQVCT-IBGZPJMESA-N 1 2 346.475 2.014 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)c1 ZINC001015582118 1225424580 /nfs/dbraw/zinc/42/45/80/1225424580.db2.gz WMNYPQGAQMADEV-HWMZRRJGSA-N 1 2 327.403 2.434 20 30 EEEDLO 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1225515937 /nfs/dbraw/zinc/51/59/37/1225515937.db2.gz LFQJTHOMMLWNOG-HNNXBMFYSA-N 1 2 346.427 2.085 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3F)C2)c1 ZINC001015678400 1225540992 /nfs/dbraw/zinc/54/09/92/1225540992.db2.gz GZNLZKLMAVEUSX-KRWDZBQOSA-N 1 2 341.361 2.345 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3F)C2)c1 ZINC001015678400 1225540997 /nfs/dbraw/zinc/54/09/97/1225540997.db2.gz GZNLZKLMAVEUSX-KRWDZBQOSA-N 1 2 341.361 2.345 20 30 EEEDLO C#CCOc1ncccc1C(=O)N1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000957375265 1215085606 /nfs/dbraw/zinc/08/56/06/1215085606.db2.gz KREVRCGMNOVSQF-UHFFFAOYSA-N 1 2 349.434 2.360 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCCN2C(=O)CCC)C1 ZINC000957416541 1215111262 /nfs/dbraw/zinc/11/12/62/1215111262.db2.gz YVRAACAIBULNSR-QGZVFWFLSA-N 1 2 335.492 2.276 20 30 EEEDLO C[C@H](CC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H]1CCCO1 ZINC000957463098 1215142145 /nfs/dbraw/zinc/14/21/45/1215142145.db2.gz WKOBPBBVLIDCGH-APWZRJJASA-N 1 2 341.455 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/nfs/dbraw/zinc/91/75/85/1215917585.db2.gz SEMJYJRISJLZQB-PIIMJCKOSA-N 1 2 338.386 2.194 20 30 EEEDLO CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(C)n1 ZINC001015772388 1225650809 /nfs/dbraw/zinc/65/08/09/1225650809.db2.gz JPJPLEMJCZWPSR-KRWDZBQOSA-N 1 2 337.427 2.087 20 30 EEEDLO CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(C)n1 ZINC001015772388 1225650812 /nfs/dbraw/zinc/65/08/12/1225650812.db2.gz JPJPLEMJCZWPSR-KRWDZBQOSA-N 1 2 337.427 2.087 20 30 EEEDLO C[C@@H](c1nc(C2CC2)no1)[N@H+](C)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000960625002 1216744427 /nfs/dbraw/zinc/74/44/27/1216744427.db2.gz SKCNIKOEMVDVJI-XJKSGUPXSA-N 1 2 342.443 2.344 20 30 EEEDLO C[C@@H](c1nc(C2CC2)no1)[N@@H+](C)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000960625002 1216744431 /nfs/dbraw/zinc/74/44/31/1216744431.db2.gz SKCNIKOEMVDVJI-XJKSGUPXSA-N 1 2 342.443 2.344 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001015816382 1225707478 /nfs/dbraw/zinc/70/74/78/1225707478.db2.gz KSSRODGZECTAML-BZSNNMDCSA-N 1 2 347.434 2.283 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001015816382 1225707483 /nfs/dbraw/zinc/70/74/83/1225707483.db2.gz KSSRODGZECTAML-BZSNNMDCSA-N 1 2 347.434 2.283 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2ncc(C)o2)nc1 ZINC000960971416 1216993699 /nfs/dbraw/zinc/99/36/99/1216993699.db2.gz HHZJMBJXULKKEF-MRXNPFEDSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ncc(C)o2)nc1 ZINC000960971416 1216993700 /nfs/dbraw/zinc/99/37/00/1216993700.db2.gz HHZJMBJXULKKEF-MRXNPFEDSA-N 1 2 338.411 2.096 20 30 EEEDLO O=C(C#CC1CC1)N1CCC[C@H]([C@H]2CC[N@H+](Cc3cnsn3)C2)C1 ZINC000961176462 1217071828 /nfs/dbraw/zinc/07/18/28/1217071828.db2.gz VCNIYRGWHZSLEV-HOTGVXAUSA-N 1 2 344.484 2.012 20 30 EEEDLO O=C(C#CC1CC1)N1CCC[C@H]([C@H]2CC[N@@H+](Cc3cnsn3)C2)C1 ZINC000961176462 1217071830 /nfs/dbraw/zinc/07/18/30/1217071830.db2.gz VCNIYRGWHZSLEV-HOTGVXAUSA-N 1 2 344.484 2.012 20 30 EEEDLO C[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1NC(=O)c1cn[nH]c1 ZINC000965367449 1219040658 /nfs/dbraw/zinc/04/06/58/1219040658.db2.gz AMBRYBGLDWMJLY-KSSFIOAISA-N 1 2 340.402 2.041 20 30 EEEDLO C[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1NC(=O)c1cn[nH]c1 ZINC000965367449 1219040662 /nfs/dbraw/zinc/04/06/62/1219040662.db2.gz AMBRYBGLDWMJLY-KSSFIOAISA-N 1 2 340.402 2.041 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000965899672 1219338588 /nfs/dbraw/zinc/33/85/88/1219338588.db2.gz GQASUZDLKFSTLO-IFXJQAMLSA-N 1 2 347.422 2.398 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000965899672 1219338592 /nfs/dbraw/zinc/33/85/92/1219338592.db2.gz GQASUZDLKFSTLO-IFXJQAMLSA-N 1 2 347.422 2.398 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2cncc(F)c2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000965916836 1219355374 /nfs/dbraw/zinc/35/53/74/1219355374.db2.gz LSTHIMPOGFQMSD-SJCJKPOMSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2cncc(F)c2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000965916836 1219355379 /nfs/dbraw/zinc/35/53/79/1219355379.db2.gz LSTHIMPOGFQMSD-SJCJKPOMSA-N 1 2 341.390 2.061 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@@H](C)[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)oc1C ZINC000965917614 1219356720 /nfs/dbraw/zinc/35/67/20/1219356720.db2.gz XXHAICTWIVCMGV-BZNIZROVSA-N 1 2 341.415 2.132 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@@H](C)[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)oc1C ZINC000965917614 1219356725 /nfs/dbraw/zinc/35/67/25/1219356725.db2.gz XXHAICTWIVCMGV-BZNIZROVSA-N 1 2 341.415 2.132 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@H]2C)co1 ZINC000965940282 1219381402 /nfs/dbraw/zinc/38/14/02/1219381402.db2.gz DZOYYQBGDOLZIB-QAPCUYQASA-N 1 2 337.423 2.475 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2C[N@H+](CC#Cc3ccccc3)CC[C@H]2C)co1 ZINC000965940282 1219381405 /nfs/dbraw/zinc/38/14/05/1219381405.db2.gz DZOYYQBGDOLZIB-QAPCUYQASA-N 1 2 337.423 2.475 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000966659725 1219926733 /nfs/dbraw/zinc/92/67/33/1219926733.db2.gz BAVKXHUBPQWJIQ-UONOGXRCSA-N 1 2 340.427 2.123 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(N(C)C)nc2)C1 ZINC000967115120 1220285186 /nfs/dbraw/zinc/28/51/86/1220285186.db2.gz DCJJMZHUZPTVCH-DOMZBBRYSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(N(C)C)nc2)C1 ZINC000967115120 1220285192 /nfs/dbraw/zinc/28/51/92/1220285192.db2.gz DCJJMZHUZPTVCH-DOMZBBRYSA-N 1 2 336.867 2.340 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccncc3Cl)C2)cn1 ZINC001016028305 1225973280 /nfs/dbraw/zinc/97/32/80/1225973280.db2.gz WXKIEYDUDHETSG-MRXNPFEDSA-N 1 2 340.814 2.116 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccncc3Cl)C2)cn1 ZINC001016028305 1225973283 /nfs/dbraw/zinc/97/32/83/1225973283.db2.gz WXKIEYDUDHETSG-MRXNPFEDSA-N 1 2 340.814 2.116 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C2)cn1 ZINC001016027623 1225973307 /nfs/dbraw/zinc/97/33/07/1225973307.db2.gz RJWLXONWRLXMCN-SFHVURJKSA-N 1 2 341.361 2.345 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C2)cn1 ZINC001016027623 1225973311 /nfs/dbraw/zinc/97/33/11/1225973311.db2.gz RJWLXONWRLXMCN-SFHVURJKSA-N 1 2 341.361 2.345 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2c(C)nn(C)c2C)C1 ZINC000967521064 1220594205 /nfs/dbraw/zinc/59/42/05/1220594205.db2.gz FIKSUDHIBHQHQO-BZNIZROVSA-N 1 2 338.883 2.159 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2c(C)nn(C)c2C)C1 ZINC000967521064 1220594207 /nfs/dbraw/zinc/59/42/07/1220594207.db2.gz FIKSUDHIBHQHQO-BZNIZROVSA-N 1 2 338.883 2.159 20 30 EEEDLO C#CCCCCC(=O)N[C@@H](C)CCCNc1[nH+]cnc2c1cnn2C ZINC001114929902 1221679756 /nfs/dbraw/zinc/67/97/56/1221679756.db2.gz LJEMUZCOQWTIQZ-AWEZNQCLSA-N 1 2 342.447 2.254 20 30 EEEDLO Cn1cccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001006775245 1221935703 /nfs/dbraw/zinc/93/57/03/1221935703.db2.gz VJXOFLREXYJNCM-INIZCTEOSA-N 1 2 340.402 2.430 20 30 EEEDLO Cn1cccc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001006775245 1221935707 /nfs/dbraw/zinc/93/57/07/1221935707.db2.gz VJXOFLREXYJNCM-INIZCTEOSA-N 1 2 340.402 2.430 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001016113083 1226095421 /nfs/dbraw/zinc/09/54/21/1226095421.db2.gz HOKKYJIUPMFWCG-CRAIPNDOSA-N 1 2 337.423 2.459 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001016113083 1226095430 /nfs/dbraw/zinc/09/54/30/1226095430.db2.gz HOKKYJIUPMFWCG-CRAIPNDOSA-N 1 2 337.423 2.459 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001007362067 1222190754 /nfs/dbraw/zinc/19/07/54/1222190754.db2.gz YYTSXFIMBYAONB-ZACQAIPSSA-N 1 2 349.862 2.492 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001007362067 1222190756 /nfs/dbraw/zinc/19/07/56/1222190756.db2.gz YYTSXFIMBYAONB-ZACQAIPSSA-N 1 2 349.862 2.492 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001008120551 1222633556 /nfs/dbraw/zinc/63/35/56/1222633556.db2.gz GJVCZDRJRKBNMN-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001008120551 1222633559 /nfs/dbraw/zinc/63/35/59/1222633559.db2.gz GJVCZDRJRKBNMN-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008123689 1222635596 /nfs/dbraw/zinc/63/55/96/1222635596.db2.gz QDXSXQDFXOKIOQ-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008123689 1222635599 /nfs/dbraw/zinc/63/55/99/1222635599.db2.gz QDXSXQDFXOKIOQ-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO COc1ccnc(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)c1 ZINC001008152810 1222656870 /nfs/dbraw/zinc/65/68/70/1222656870.db2.gz NMPWXQVACYNMBY-SFHVURJKSA-N 1 2 349.434 2.336 20 30 EEEDLO COc1ccnc(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC001008152810 1222656872 /nfs/dbraw/zinc/65/68/72/1222656872.db2.gz NMPWXQVACYNMBY-SFHVURJKSA-N 1 2 349.434 2.336 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3c(C)nnn3CC)C2)CC1 ZINC001008410536 1222816632 /nfs/dbraw/zinc/81/66/32/1222816632.db2.gz IRUQKBWYOHFIHD-KRWDZBQOSA-N 1 2 345.491 2.433 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3c(C)nnn3CC)C2)CC1 ZINC001008410536 1222816636 /nfs/dbraw/zinc/81/66/36/1222816636.db2.gz IRUQKBWYOHFIHD-KRWDZBQOSA-N 1 2 345.491 2.433 20 30 EEEDLO C[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)CCOC1 ZINC001008998676 1223108422 /nfs/dbraw/zinc/10/84/22/1223108422.db2.gz BKCGFKDYFOAHOJ-LPHOPBHVSA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)CCOC1 ZINC001008998676 1223108424 /nfs/dbraw/zinc/10/84/24/1223108424.db2.gz BKCGFKDYFOAHOJ-LPHOPBHVSA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CCOC1 ZINC001009002624 1223109130 /nfs/dbraw/zinc/10/91/30/1223109130.db2.gz IXMOGXPFYDKNAT-VQIMIIECSA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CCOC1 ZINC001009002624 1223109131 /nfs/dbraw/zinc/10/91/31/1223109131.db2.gz IXMOGXPFYDKNAT-VQIMIIECSA-N 1 2 345.418 2.205 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001009118113 1223145739 /nfs/dbraw/zinc/14/57/39/1223145739.db2.gz TUMGXGAIWNOZGK-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001009118113 1223145742 /nfs/dbraw/zinc/14/57/42/1223145742.db2.gz TUMGXGAIWNOZGK-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@H+](Cc2ccns2)C1 ZINC001009352542 1223219146 /nfs/dbraw/zinc/21/91/46/1223219146.db2.gz LDSSTIAXICBNMN-KRWDZBQOSA-N 1 2 339.464 2.448 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC001009352542 1223219148 /nfs/dbraw/zinc/21/91/48/1223219148.db2.gz LDSSTIAXICBNMN-KRWDZBQOSA-N 1 2 339.464 2.448 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC001010049153 1223523762 /nfs/dbraw/zinc/52/37/62/1223523762.db2.gz HUAHQSWPWLLCGI-MRXNPFEDSA-N 1 2 339.395 2.473 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC001010049153 1223523765 /nfs/dbraw/zinc/52/37/65/1223523765.db2.gz HUAHQSWPWLLCGI-MRXNPFEDSA-N 1 2 339.395 2.473 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cncs3)C2)cc1C#N ZINC001010334426 1223667516 /nfs/dbraw/zinc/66/75/16/1223667516.db2.gz PHKAVRLREKZTAJ-CQSZACIVSA-N 1 2 342.424 2.028 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cncs3)C2)cc1C#N ZINC001010334426 1223667518 /nfs/dbraw/zinc/66/75/18/1223667518.db2.gz PHKAVRLREKZTAJ-CQSZACIVSA-N 1 2 342.424 2.028 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)s1 ZINC001010352773 1223676641 /nfs/dbraw/zinc/67/66/41/1223676641.db2.gz HFAUBKUMQYLMPV-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)s1 ZINC001010352773 1223676643 /nfs/dbraw/zinc/67/66/43/1223676643.db2.gz HFAUBKUMQYLMPV-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)s1 ZINC001010356130 1223678465 /nfs/dbraw/zinc/67/84/65/1223678465.db2.gz YYABFFYHSUBVLA-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)s1 ZINC001010356130 1223678466 /nfs/dbraw/zinc/67/84/66/1223678466.db2.gz YYABFFYHSUBVLA-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001010420649 1223712632 /nfs/dbraw/zinc/71/26/32/1223712632.db2.gz DGENQUYQLCIEQO-AWEZNQCLSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001010420649 1223712634 /nfs/dbraw/zinc/71/26/34/1223712634.db2.gz DGENQUYQLCIEQO-AWEZNQCLSA-N 1 2 326.425 2.328 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C3CC(F)(F)C3)C2)c(F)c1 ZINC001010471613 1223736897 /nfs/dbraw/zinc/73/68/97/1223736897.db2.gz NQUASDVZXROVTN-AWEZNQCLSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C3CC(F)(F)C3)C2)c(F)c1 ZINC001010471613 1223736901 /nfs/dbraw/zinc/73/69/01/1223736901.db2.gz NQUASDVZXROVTN-AWEZNQCLSA-N 1 2 337.345 2.433 20 30 EEEDLO COc1ccc(F)cc1C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010480246 1223740363 /nfs/dbraw/zinc/74/03/63/1223740363.db2.gz SEVFZQZRSPTRSB-OAHLLOKOSA-N 1 2 342.374 2.038 20 30 EEEDLO COc1ccc(F)cc1C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010480246 1223740365 /nfs/dbraw/zinc/74/03/65/1223740365.db2.gz SEVFZQZRSPTRSB-OAHLLOKOSA-N 1 2 342.374 2.038 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C2)[nH]1 ZINC001010643751 1223829396 /nfs/dbraw/zinc/82/93/96/1223829396.db2.gz NAXXKXXABROGAR-OAHLLOKOSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C2)[nH]1 ZINC001010643751 1223829401 /nfs/dbraw/zinc/82/94/01/1223829401.db2.gz NAXXKXXABROGAR-OAHLLOKOSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3F)C2)c[nH]1 ZINC001010667018 1223842928 /nfs/dbraw/zinc/84/29/28/1223842928.db2.gz GQZADMPTLCYXQO-AWEZNQCLSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3F)C2)c[nH]1 ZINC001010667018 1223842930 /nfs/dbraw/zinc/84/29/30/1223842930.db2.gz GQZADMPTLCYXQO-AWEZNQCLSA-N 1 2 330.338 2.169 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1ccc(F)cn1 ZINC001010719974 1223869498 /nfs/dbraw/zinc/86/94/98/1223869498.db2.gz UBMMPWPUXIIWIF-QGZVFWFLSA-N 1 2 341.361 2.216 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)c1ccc(F)cn1 ZINC001010719974 1223869500 /nfs/dbraw/zinc/86/95/00/1223869500.db2.gz UBMMPWPUXIIWIF-QGZVFWFLSA-N 1 2 341.361 2.216 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3C[C@@H]3C(F)F)C2)c(F)c1 ZINC001010843612 1223934790 /nfs/dbraw/zinc/93/47/90/1223934790.db2.gz XECUGZPPHXUMLO-RDBSUJKOSA-N 1 2 337.345 2.289 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3C[C@@H]3C(F)F)C2)c(F)c1 ZINC001010843612 1223934792 /nfs/dbraw/zinc/93/47/92/1223934792.db2.gz XECUGZPPHXUMLO-RDBSUJKOSA-N 1 2 337.345 2.289 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3c[nH]nc32)C1 ZINC001014438333 1226617957 /nfs/dbraw/zinc/61/79/57/1226617957.db2.gz SOUAOUJDZIIIBI-QZTJIDSGSA-N 1 2 349.438 2.092 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3c[nH]nc32)C1 ZINC001014438333 1226617963 /nfs/dbraw/zinc/61/79/63/1226617963.db2.gz SOUAOUJDZIIIBI-QZTJIDSGSA-N 1 2 349.438 2.092 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccnn1C1CCC1 ZINC001014469350 1226653724 /nfs/dbraw/zinc/65/37/24/1226653724.db2.gz IBDIXRLOEPEXCQ-GOSISDBHSA-N 1 2 348.450 2.464 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccnn1C1CCC1 ZINC001014469350 1226653730 /nfs/dbraw/zinc/65/37/30/1226653730.db2.gz IBDIXRLOEPEXCQ-GOSISDBHSA-N 1 2 348.450 2.464 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC23CC[NH+](Cc2nncs2)CC3)C1 ZINC001016816773 1226900950 /nfs/dbraw/zinc/90/09/50/1226900950.db2.gz IBZJZLHRWPPQOB-CYBMUJFWSA-N 1 2 332.473 2.365 20 30 EEEDLO Cc1nc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)s1 ZINC001017540859 1227504306 /nfs/dbraw/zinc/50/43/06/1227504306.db2.gz PRFIAWWJIQWEHX-IYBDPMFKSA-N 1 2 329.469 2.349 20 30 EEEDLO Cc1nc(C)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)s1 ZINC001017540859 1227504309 /nfs/dbraw/zinc/50/43/09/1227504309.db2.gz PRFIAWWJIQWEHX-IYBDPMFKSA-N 1 2 329.469 2.349 20 30 EEEDLO C=C(Cl)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001017932820 1227886775 /nfs/dbraw/zinc/88/67/75/1227886775.db2.gz MAXPBNZOPKNUFX-HZSPNIEDSA-N 1 2 334.851 2.257 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC001018909171 1228514676 /nfs/dbraw/zinc/51/46/76/1228514676.db2.gz ODGDICPJHWXMSB-CABZTGNLSA-N 1 2 326.828 2.408 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnc(CC)o2)C1 ZINC001018968911 1228588562 /nfs/dbraw/zinc/58/85/62/1228588562.db2.gz BWCATRCSNOHSHD-KBPBESRZSA-N 1 2 343.431 2.185 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nc([C@H](C)OC)no2)C1 ZINC001019232294 1228899902 /nfs/dbraw/zinc/89/99/02/1228899902.db2.gz TVHJBLVUYPWELN-STQMWFEESA-N 1 2 336.436 2.070 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nc([C@H](C)OCC)no2)C1 ZINC001019238131 1228903800 /nfs/dbraw/zinc/90/38/00/1228903800.db2.gz NXBXVOKZBQMHEI-STQMWFEESA-N 1 2 336.436 2.070 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)cc1F ZINC001038155012 1229669218 /nfs/dbraw/zinc/66/92/18/1229669218.db2.gz VOIJPASSDSHZHV-AWEZNQCLSA-N 1 2 342.374 2.038 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)cc1F ZINC001038155012 1229669221 /nfs/dbraw/zinc/66/92/21/1229669221.db2.gz VOIJPASSDSHZHV-AWEZNQCLSA-N 1 2 342.374 2.038 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2C[C@@H]2C(F)F)cc1C#N ZINC001038220843 1229692513 /nfs/dbraw/zinc/69/25/13/1229692513.db2.gz QXZMWCKQHZHPHD-ILXRZTDVSA-N 1 2 349.381 2.159 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2C[C@@H]2C(F)F)cc1C#N ZINC001038220843 1229692518 /nfs/dbraw/zinc/69/25/18/1229692518.db2.gz QXZMWCKQHZHPHD-ILXRZTDVSA-N 1 2 349.381 2.159 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001058413017 1249008766 /nfs/dbraw/zinc/00/87/66/1249008766.db2.gz IORJCKYCWVAKEJ-IBGZPJMESA-N 1 2 348.450 2.321 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2scnc2C)cc1 ZINC001038590314 1229930824 /nfs/dbraw/zinc/93/08/24/1229930824.db2.gz WHSIWDDHBWAVOG-INIZCTEOSA-N 1 2 325.437 2.437 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2scnc2C)cc1 ZINC001038590314 1229930828 /nfs/dbraw/zinc/93/08/28/1229930828.db2.gz WHSIWDDHBWAVOG-INIZCTEOSA-N 1 2 325.437 2.437 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]2[C@@H](C)c2cccc(F)c2)nn1 ZINC001038783534 1230052953 /nfs/dbraw/zinc/05/29/53/1230052953.db2.gz PWEKSLSOYPKVLY-XJKSGUPXSA-N 1 2 343.406 2.169 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+]2[C@@H](C)c2cccc(F)c2)nn1 ZINC001038783534 1230052958 /nfs/dbraw/zinc/05/29/58/1230052958.db2.gz PWEKSLSOYPKVLY-XJKSGUPXSA-N 1 2 343.406 2.169 20 30 EEEDLO CC(C)c1ncncc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001039017968 1230238916 /nfs/dbraw/zinc/23/89/16/1230238916.db2.gz KLRPNPWIJSQINL-KRWDZBQOSA-N 1 2 349.438 2.476 20 30 EEEDLO CC(C)c1ncncc1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001039017968 1230238919 /nfs/dbraw/zinc/23/89/19/1230238919.db2.gz KLRPNPWIJSQINL-KRWDZBQOSA-N 1 2 349.438 2.476 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)CCCN(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001067299837 1230670242 /nfs/dbraw/zinc/67/02/42/1230670242.db2.gz MPAZPHLXQHXGSK-UHFFFAOYSA-N 1 2 332.448 2.006 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@H](C)[C@@H](CNc3cc[nH+]c(C)n3)C2)c1 ZINC001039893240 1230892873 /nfs/dbraw/zinc/89/28/73/1230892873.db2.gz OUBRXDPEZLGBBU-KSSFIOAISA-N 1 2 349.438 2.372 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)NC1CC1 ZINC001039895901 1230894953 /nfs/dbraw/zinc/89/49/53/1230894953.db2.gz ABIVSYQKPCMFEO-UJAMICLKSA-N 1 2 347.503 2.321 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)NC1CC1 ZINC001039895901 1230894957 /nfs/dbraw/zinc/89/49/57/1230894957.db2.gz ABIVSYQKPCMFEO-UJAMICLKSA-N 1 2 347.503 2.321 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccn2)nc1 ZINC001039976941 1230945254 /nfs/dbraw/zinc/94/52/54/1230945254.db2.gz UBWDSWSCNNJAEH-KDURUIRLSA-N 1 2 346.434 2.337 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccn2)nc1 ZINC001039976941 1230945256 /nfs/dbraw/zinc/94/52/56/1230945256.db2.gz UBWDSWSCNNJAEH-KDURUIRLSA-N 1 2 346.434 2.337 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cnon1)C2 ZINC001040368683 1231189673 /nfs/dbraw/zinc/18/96/73/1231189673.db2.gz JKGBZRMZAYBJPK-MSOLQXFVSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cnon1)C2 ZINC001040368683 1231189674 /nfs/dbraw/zinc/18/96/74/1231189674.db2.gz JKGBZRMZAYBJPK-MSOLQXFVSA-N 1 2 332.448 2.486 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H](CNc3cc[nH+]c(C)n3)[C@@H](C)C2)nc1 ZINC001040425711 1231224972 /nfs/dbraw/zinc/22/49/72/1231224972.db2.gz WAATUQUSQIANTK-WMLDXEAASA-N 1 2 349.438 2.372 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCN(c3cc[nH+]c(C)n3)CC2(C)C)c1 ZINC001067338217 1231454981 /nfs/dbraw/zinc/45/49/81/1231454981.db2.gz OYSZPFLHORFPQH-QGZVFWFLSA-N 1 2 349.438 2.196 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](CCOc3ccccc3C)C2)c1 ZINC001043820799 1232591722 /nfs/dbraw/zinc/59/17/22/1232591722.db2.gz VLZZCUCZMNWYQE-UHFFFAOYSA-N 1 2 349.434 2.207 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2cc(C)no2)CC1 ZINC001045359080 1233692795 /nfs/dbraw/zinc/69/27/95/1233692795.db2.gz LLHZZHXVKPQDOK-UHFFFAOYSA-N 1 2 342.237 2.476 20 30 EEEDLO Cc1nc(N[C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)ccc1C#N ZINC001045575167 1233829588 /nfs/dbraw/zinc/82/95/88/1233829588.db2.gz QDTDKVDNFVSSIU-HUUCEWRRSA-N 1 2 338.415 2.067 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC001045762377 1233953125 /nfs/dbraw/zinc/95/31/25/1233953125.db2.gz GAMNUJHQDRLJID-FPCVCCKLSA-N 1 2 330.432 2.215 20 30 EEEDLO C[C@]1(NC(=O)c2ccc[nH]2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046139498 1234482638 /nfs/dbraw/zinc/48/26/38/1234482638.db2.gz JBQDZNXYRHOZCN-SFHVURJKSA-N 1 2 326.375 2.420 20 30 EEEDLO C[C@]1(NC(=O)c2ccc[nH]2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046139498 1234482641 /nfs/dbraw/zinc/48/26/41/1234482641.db2.gz JBQDZNXYRHOZCN-SFHVURJKSA-N 1 2 326.375 2.420 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3c1)C2 ZINC001096080463 1234554558 /nfs/dbraw/zinc/55/45/58/1234554558.db2.gz LIPNXPAAVFSTHK-UGFHNGPFSA-N 1 2 346.818 2.356 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3c1)C2 ZINC001096080463 1234554559 /nfs/dbraw/zinc/55/45/59/1234554559.db2.gz LIPNXPAAVFSTHK-UGFHNGPFSA-N 1 2 346.818 2.356 20 30 EEEDLO Cc1ncoc1C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046215460 1234564029 /nfs/dbraw/zinc/56/40/29/1234564029.db2.gz CVHDGFPLLXRKCM-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ncoc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046215460 1234564033 /nfs/dbraw/zinc/56/40/33/1234564033.db2.gz CVHDGFPLLXRKCM-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCCO2)C1 ZINC001046235534 1234582508 /nfs/dbraw/zinc/58/25/08/1234582508.db2.gz HRPWQYSCJPMOFY-OCCSQVGLSA-N 1 2 331.254 2.045 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCCO2)C1 ZINC001046235534 1234582509 /nfs/dbraw/zinc/58/25/09/1234582509.db2.gz HRPWQYSCJPMOFY-OCCSQVGLSA-N 1 2 331.254 2.045 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001046418633 1234780679 /nfs/dbraw/zinc/78/06/79/1234780679.db2.gz QNEGRBPIPLGIJA-SFHVURJKSA-N 1 2 349.862 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001046418633 1234780682 /nfs/dbraw/zinc/78/06/82/1234780682.db2.gz QNEGRBPIPLGIJA-SFHVURJKSA-N 1 2 349.862 2.462 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](Cc3nccn3CC)C2)cc1 ZINC001046531087 1234912141 /nfs/dbraw/zinc/91/21/41/1234912141.db2.gz NQUPASZVSWYQFL-HXUWFJFHSA-N 1 2 336.439 2.279 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](Cc3nccn3CC)C2)cc1 ZINC001046531087 1234912145 /nfs/dbraw/zinc/91/21/45/1234912145.db2.gz NQUPASZVSWYQFL-HXUWFJFHSA-N 1 2 336.439 2.279 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001046638376 1235019906 /nfs/dbraw/zinc/01/99/06/1235019906.db2.gz KMXGBTVWBPVCPP-GASCZTMLSA-N 1 2 325.416 2.393 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3nc(C)oc3C)C2)nc1 ZINC001046782891 1235181071 /nfs/dbraw/zinc/18/10/71/1235181071.db2.gz GOFMNFTWHCGCRA-IBGZPJMESA-N 1 2 338.411 2.062 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](Cc3nc(C)oc3C)C2)nc1 ZINC001046782891 1235181074 /nfs/dbraw/zinc/18/10/74/1235181074.db2.gz GOFMNFTWHCGCRA-IBGZPJMESA-N 1 2 338.411 2.062 20 30 EEEDLO COCC1C/C(=C\c2cncn2C)C(=O)/C(=C\c2c[nH+]cn2C)C1 ZINC000901513775 1235908000 /nfs/dbraw/zinc/90/80/00/1235908000.db2.gz DQMJMBOVCVIBMB-GEMWTQJRSA-N 1 2 326.400 2.246 20 30 EEEDLO COCC1C/C(=C\c2c[nH+]cn2C)C(=O)/C(=C\c2cncn2C)C1 ZINC000901513775 1235908004 /nfs/dbraw/zinc/90/80/04/1235908004.db2.gz DQMJMBOVCVIBMB-GEMWTQJRSA-N 1 2 326.400 2.246 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2noc(-c3ccoc3)n2)[C@@H](C)C1 ZINC001054975821 1249501446 /nfs/dbraw/zinc/50/14/46/1249501446.db2.gz GMKXJMSQINBSOL-JSGCOSHPSA-N 1 2 344.415 2.478 20 30 EEEDLO N#Cc1c(F)cccc1N1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001096218612 1236234004 /nfs/dbraw/zinc/23/40/04/1236234004.db2.gz JXAWNIAWKSBTBT-CQSZACIVSA-N 1 2 341.390 2.069 20 30 EEEDLO C=CCCC(=O)NCCN1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001096272219 1236956634 /nfs/dbraw/zinc/95/66/34/1236956634.db2.gz MJHGWMNUVWJZPT-UHFFFAOYSA-N 1 2 345.491 2.113 20 30 EEEDLO C=CCCC(=O)NCC[NH+]1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001096272219 1236956639 /nfs/dbraw/zinc/95/66/39/1236956639.db2.gz MJHGWMNUVWJZPT-UHFFFAOYSA-N 1 2 345.491 2.113 20 30 EEEDLO CCC[C@@H](CC)C(=O)NCC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC001096289159 1237138349 /nfs/dbraw/zinc/13/83/49/1237138349.db2.gz FLBBEURWZTVBBG-QGZVFWFLSA-N 1 2 343.475 2.018 20 30 EEEDLO N#Cc1cccn(C[N@H+]2CCC[C@H]2COc2ccc(F)cc2)c1=O ZINC000902625966 1238073922 /nfs/dbraw/zinc/07/39/22/1238073922.db2.gz LMGHQKNJZINXBS-INIZCTEOSA-N 1 2 327.359 2.360 20 30 EEEDLO N#Cc1cccn(C[N@@H+]2CCC[C@H]2COc2ccc(F)cc2)c1=O ZINC000902625966 1238073929 /nfs/dbraw/zinc/07/39/29/1238073929.db2.gz LMGHQKNJZINXBS-INIZCTEOSA-N 1 2 327.359 2.360 20 30 EEEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCCO[C@H](C)C#N)c2)n1 ZINC000802730327 1238100463 /nfs/dbraw/zinc/10/04/63/1238100463.db2.gz WDLPFBLURUYUGA-OAHLLOKOSA-N 1 2 341.415 2.323 20 30 EEEDLO C#CC[N@@H+](CC(=O)N1CCCC[C@@H]1C(=O)OCC)Cc1ccccc1 ZINC000796631176 1249674942 /nfs/dbraw/zinc/67/49/42/1249674942.db2.gz DHGTWJWGTJWIFW-GOSISDBHSA-N 1 2 342.439 2.066 20 30 EEEDLO C#CC[N@H+](CC(=O)N1CCCC[C@@H]1C(=O)OCC)Cc1ccccc1 ZINC000796631176 1249674954 /nfs/dbraw/zinc/67/49/54/1249674954.db2.gz DHGTWJWGTJWIFW-GOSISDBHSA-N 1 2 342.439 2.066 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001067853150 1239363184 /nfs/dbraw/zinc/36/31/84/1239363184.db2.gz IROBURDMCNJDQX-INIZCTEOSA-N 1 2 334.464 2.182 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001056704033 1239688074 /nfs/dbraw/zinc/68/80/74/1239688074.db2.gz UQYXYMCDQZKRBV-YQQAZPJKSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)c4noc(C)n4)C[C@@H]3C2)C1 ZINC001049043883 1239834535 /nfs/dbraw/zinc/83/45/35/1239834535.db2.gz ULSJXQJEYUFICD-AEGPPILISA-N 1 2 330.432 2.186 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)c4noc(C)n4)C[C@@H]3C2)C1 ZINC001049043883 1239834549 /nfs/dbraw/zinc/83/45/49/1239834549.db2.gz ULSJXQJEYUFICD-AEGPPILISA-N 1 2 330.432 2.186 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2OCC)CC1 ZINC001000458836 1240352707 /nfs/dbraw/zinc/35/27/07/1240352707.db2.gz NBGVJQWJBPWXRA-ZIAGYGMSSA-N 1 2 343.265 2.068 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2OCC)CC1 ZINC001000458836 1240352713 /nfs/dbraw/zinc/35/27/13/1240352713.db2.gz NBGVJQWJBPWXRA-ZIAGYGMSSA-N 1 2 343.265 2.068 20 30 EEEDLO Cc1cc(N2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC001049249088 1240378532 /nfs/dbraw/zinc/37/85/32/1240378532.db2.gz VYJSXFKJVVCMCB-WQVCFCJDSA-N 1 2 339.443 2.107 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ocnc2C2CC2)C1 ZINC001073766931 1242708543 /nfs/dbraw/zinc/70/85/43/1242708543.db2.gz SGDKVOMTLRBZPK-ZDUSSCGKSA-N 1 2 339.823 2.125 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2ocnc2C2CC2)C1 ZINC001073766931 1242708554 /nfs/dbraw/zinc/70/85/54/1242708554.db2.gz SGDKVOMTLRBZPK-ZDUSSCGKSA-N 1 2 339.823 2.125 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2nccc3[nH]ccc32)C1 ZINC001073772748 1242714502 /nfs/dbraw/zinc/71/45/02/1242714502.db2.gz XDNXGNOMZHJXOQ-CYBMUJFWSA-N 1 2 348.834 2.136 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2nccc3[nH]ccc32)C1 ZINC001073772748 1242714512 /nfs/dbraw/zinc/71/45/12/1242714512.db2.gz XDNXGNOMZHJXOQ-CYBMUJFWSA-N 1 2 348.834 2.136 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc4n[nH]nc43)[C@@H]2C1 ZINC001050056236 1242738838 /nfs/dbraw/zinc/73/88/38/1242738838.db2.gz UNYFHFRRFIHGMA-SWLSCSKDSA-N 1 2 345.834 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc4n[nH]nc43)[C@@H]2C1 ZINC001050056236 1242738850 /nfs/dbraw/zinc/73/88/50/1242738850.db2.gz UNYFHFRRFIHGMA-SWLSCSKDSA-N 1 2 345.834 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc4nn[nH]c43)[C@@H]2C1 ZINC001050056236 1242738859 /nfs/dbraw/zinc/73/88/59/1242738859.db2.gz UNYFHFRRFIHGMA-SWLSCSKDSA-N 1 2 345.834 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc4nn[nH]c43)[C@@H]2C1 ZINC001050056236 1242738871 /nfs/dbraw/zinc/73/88/71/1242738871.db2.gz UNYFHFRRFIHGMA-SWLSCSKDSA-N 1 2 345.834 2.247 20 30 EEEDLO N#Cc1ccc(N[C@@H]2CCCCCN(C(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC001049933561 1242771664 /nfs/dbraw/zinc/77/16/64/1242771664.db2.gz ZVIQTHCOWQLAFP-OAHLLOKOSA-N 1 2 338.415 2.102 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H](Nc1[nH+]cnc2c1cnn2C)C1CC1 ZINC001096738983 1243207552 /nfs/dbraw/zinc/20/75/52/1243207552.db2.gz CLYMXLRPNAHNSB-AWEZNQCLSA-N 1 2 328.420 2.026 20 30 EEEDLO Cn1c[nH+]cc1CC(=O)N1CCC(Nc2cccc(F)c2C#N)CC1 ZINC001057346764 1243391278 /nfs/dbraw/zinc/39/12/78/1243391278.db2.gz VCILXPHAGNJMGQ-UHFFFAOYSA-N 1 2 341.390 2.076 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097042303 1243612503 /nfs/dbraw/zinc/61/25/03/1243612503.db2.gz GXNNIERDJPRAEB-SHTZXODSSA-N 1 2 344.459 2.316 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC(Nc3nc(N(C)C)nc(C)[nH+]3)CC2)C1 ZINC001057422750 1243714354 /nfs/dbraw/zinc/71/43/54/1243714354.db2.gz CFUUNUZBYHNUED-UHFFFAOYSA-N 1 2 344.463 2.005 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccc(C(F)F)n1)C2 ZINC001097195950 1243810161 /nfs/dbraw/zinc/81/01/61/1243810161.db2.gz JIMGEEMSGRREOW-RTXFEEFZSA-N 1 2 344.793 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccc(C(F)F)n1)C2 ZINC001097195950 1243810169 /nfs/dbraw/zinc/81/01/69/1243810169.db2.gz JIMGEEMSGRREOW-RTXFEEFZSA-N 1 2 344.793 2.295 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097314853 1243980788 /nfs/dbraw/zinc/98/07/88/1243980788.db2.gz XXKHRSPZWCKDKS-QGZVFWFLSA-N 1 2 348.450 2.342 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001050842322 1244473030 /nfs/dbraw/zinc/47/30/30/1244473030.db2.gz BDRNNSRWYKXXQN-HOTGVXAUSA-N 1 2 346.475 2.229 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OC(C)C)nc1 ZINC001050945202 1244687266 /nfs/dbraw/zinc/68/72/66/1244687266.db2.gz IZIAETZDNFMPKZ-KRWDZBQOSA-N 1 2 347.459 2.266 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OC(C)C)nc1 ZINC001050945202 1244687275 /nfs/dbraw/zinc/68/72/75/1244687275.db2.gz IZIAETZDNFMPKZ-KRWDZBQOSA-N 1 2 347.459 2.266 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001051187365 1245364490 /nfs/dbraw/zinc/36/44/90/1245364490.db2.gz WVOVKISWKDOWBI-OAHLLOKOSA-N 1 2 333.432 2.257 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001051187365 1245364497 /nfs/dbraw/zinc/36/44/97/1245364497.db2.gz WVOVKISWKDOWBI-OAHLLOKOSA-N 1 2 333.432 2.257 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1noc2c1C[C@H](C)CC2 ZINC001051188514 1245366509 /nfs/dbraw/zinc/36/65/09/1245366509.db2.gz DPZCOVJJQKHCNS-HUUCEWRRSA-N 1 2 347.459 2.196 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1noc2c1C[C@H](C)CC2 ZINC001051188514 1245366513 /nfs/dbraw/zinc/36/65/13/1245366513.db2.gz DPZCOVJJQKHCNS-HUUCEWRRSA-N 1 2 347.459 2.196 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1csc(C(F)(F)F)n1 ZINC001051193698 1245371988 /nfs/dbraw/zinc/37/19/88/1245371988.db2.gz KLEGSSWMVGSYQT-JTQLQIEISA-N 1 2 349.378 2.169 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1csc(C(F)(F)F)n1 ZINC001051193698 1245371989 /nfs/dbraw/zinc/37/19/89/1245371989.db2.gz KLEGSSWMVGSYQT-JTQLQIEISA-N 1 2 349.378 2.169 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2ncsc2c1 ZINC001051235823 1245424974 /nfs/dbraw/zinc/42/49/74/1245424974.db2.gz TYBRVBYTEPGXFG-CQSZACIVSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2ncsc2c1 ZINC001051235823 1245424977 /nfs/dbraw/zinc/42/49/77/1245424977.db2.gz TYBRVBYTEPGXFG-CQSZACIVSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OC(C)C)cn1 ZINC001051272629 1245463126 /nfs/dbraw/zinc/46/31/26/1245463126.db2.gz FYVDQXPNFRFWHJ-INIZCTEOSA-N 1 2 347.459 2.266 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OC(C)C)cn1 ZINC001051272629 1245463130 /nfs/dbraw/zinc/46/31/30/1245463130.db2.gz FYVDQXPNFRFWHJ-INIZCTEOSA-N 1 2 347.459 2.266 20 30 EEEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C)no3)C[C@@]2(C)C1 ZINC001101325189 1245661606 /nfs/dbraw/zinc/66/16/06/1245661606.db2.gz JLYIMUUSILMPTI-APWZRJJASA-N 1 2 344.459 2.242 20 30 EEEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@H+](Cc3nc(C)no3)C[C@@]2(C)C1 ZINC001101325189 1245661614 /nfs/dbraw/zinc/66/16/14/1245661614.db2.gz JLYIMUUSILMPTI-APWZRJJASA-N 1 2 344.459 2.242 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001101337614 1245682371 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1255370749 /nfs/dbraw/zinc/37/07/49/1255370749.db2.gz CXYALKNOEAWPGN-UHFFFAOYSA-N 1 2 338.839 2.191 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC(C)(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001073055375 1255620281 /nfs/dbraw/zinc/62/02/81/1255620281.db2.gz IIJYXUQXRGGIOR-UHFFFAOYSA-N 1 2 346.475 2.360 20 30 EEEDLO C=CCCC(=O)NC1(C)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001073127642 1255709115 /nfs/dbraw/zinc/70/91/15/1255709115.db2.gz UMPYTGJKDPYRRW-UHFFFAOYSA-N 1 2 332.448 2.127 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001074264071 1256832341 /nfs/dbraw/zinc/83/23/41/1256832341.db2.gz RSQMWFYTANYVKT-PBHICJAKSA-N 1 2 344.459 2.074 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3sc(C)nc3C)C[C@@H]21 ZINC001074301581 1256889333 /nfs/dbraw/zinc/88/93/33/1256889333.db2.gz DARQURFNUNVNSU-JKSUJKDBSA-N 1 2 349.500 2.180 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3sc(C)nc3C)C[C@@H]21 ZINC001074301581 1256889343 /nfs/dbraw/zinc/88/93/43/1256889343.db2.gz DARQURFNUNVNSU-JKSUJKDBSA-N 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C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)cccc1C ZINC001316601551 1324097260 /nfs/dbraw/zinc/09/72/60/1324097260.db2.gz CUQPBKITMRUGOB-IAGOWNOFSA-N 1 2 343.471 2.140 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)cccc1C ZINC001316601551 1324097266 /nfs/dbraw/zinc/09/72/66/1324097266.db2.gz CUQPBKITMRUGOB-IAGOWNOFSA-N 1 2 343.471 2.140 20 30 EEEDLO C#CCCCCC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C(C)C)no2)C1 ZINC001207860372 1324184836 /nfs/dbraw/zinc/18/48/36/1324184836.db2.gz KWQNMPYQCGKJTC-OAHLLOKOSA-N 1 2 332.448 2.467 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)(C)COC)C1 ZINC001208070768 1324301168 /nfs/dbraw/zinc/30/11/68/1324301168.db2.gz GHMAUAZDFOPZHO-DGCLKSJQSA-N 1 2 347.297 2.394 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)(C)COC)C1 ZINC001208070768 1324301170 /nfs/dbraw/zinc/30/11/70/1324301170.db2.gz GHMAUAZDFOPZHO-DGCLKSJQSA-N 1 2 347.297 2.394 20 30 EEEDLO CN1C(=O)COCC12C[NH+](Cc1ccccc1C#Cc1ccccc1)C2 ZINC001276675743 1325106951 /nfs/dbraw/zinc/10/69/51/1325106951.db2.gz JKXATLDRIYNZMU-UHFFFAOYSA-N 1 2 346.430 2.129 20 30 EEEDLO CCOC(=O)c1ccc(-c2ccc(CN3CC[NH2+]C[C@H]3C#N)o2)cc1 ZINC001210120237 1325166762 /nfs/dbraw/zinc/16/67/62/1325166762.db2.gz BGZMFJMDTJFNFS-MRXNPFEDSA-N 1 2 339.395 2.421 20 30 EEEDLO CCOc1c(Br)cc(C)cc1CN1CC[NH2+]C[C@H]1C#N ZINC001210121659 1325167391 /nfs/dbraw/zinc/16/73/91/1325167391.db2.gz MYBPVIMKVGEPGS-CYBMUJFWSA-N 1 2 338.249 2.454 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3CC)C2)CCCC1 ZINC001317002254 1332039704 /nfs/dbraw/zinc/03/97/04/1332039704.db2.gz RJOQKIAPFJDEJO-HNNXBMFYSA-N 1 2 331.464 2.125 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3CC)C2)CCCC1 ZINC001317002254 1332039706 /nfs/dbraw/zinc/03/97/06/1332039706.db2.gz RJOQKIAPFJDEJO-HNNXBMFYSA-N 1 2 331.464 2.125 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCCCNC(C)=O)C1 ZINC001317949713 1332449130 /nfs/dbraw/zinc/44/91/30/1332449130.db2.gz KVURVGLGQDSYLU-OAHLLOKOSA-N 1 2 329.872 2.016 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCCCNC(C)=O)C1 ZINC001317949713 1332449133 /nfs/dbraw/zinc/44/91/33/1332449133.db2.gz KVURVGLGQDSYLU-OAHLLOKOSA-N 1 2 329.872 2.016 20 30 EEEDLO C#Cc1ccc(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC001336457687 1336546774 /nfs/dbraw/zinc/54/67/74/1336546774.db2.gz ORCZXODKEKRTQG-MRXNPFEDSA-N 1 2 338.411 2.034 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(C)CC1 ZINC001338694735 1336894898 /nfs/dbraw/zinc/89/48/98/1336894898.db2.gz YZMMEBJNHKRCSC-INIZCTEOSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(C)CC1 ZINC001338694735 1336894901 /nfs/dbraw/zinc/89/49/01/1336894901.db2.gz YZMMEBJNHKRCSC-INIZCTEOSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCCCC1 ZINC001338842608 1336918278 /nfs/dbraw/zinc/91/82/78/1336918278.db2.gz WBSNZAHJCCKWJE-JKSUJKDBSA-N 1 2 331.464 2.380 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCCCC1 ZINC001338842608 1336918279 /nfs/dbraw/zinc/91/82/79/1336918279.db2.gz WBSNZAHJCCKWJE-JKSUJKDBSA-N 1 2 331.464 2.380 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCn2cccc2C1 ZINC001339541721 1337024755 /nfs/dbraw/zinc/02/47/55/1337024755.db2.gz HCRMYHRXXPTYFZ-MRXNPFEDSA-N 1 2 326.448 2.443 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCn2cccc2C1 ZINC001339541721 1337024760 /nfs/dbraw/zinc/02/47/60/1337024760.db2.gz HCRMYHRXXPTYFZ-MRXNPFEDSA-N 1 2 326.448 2.443 20 30 EEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC001347372857 1337506281 /nfs/dbraw/zinc/50/62/81/1337506281.db2.gz JMBUIPOHGCIOEQ-HKUYNNGSSA-N 1 2 344.503 2.109 20 30 EEEDLO Cn1cc[nH+]c1CCC(=O)NCCSCc1ccccc1C#N ZINC001350814018 1337757543 /nfs/dbraw/zinc/75/75/43/1337757543.db2.gz CSNXPJIPSCEHEG-UHFFFAOYSA-N 1 2 328.441 2.274 20 30 EEEDLO C=CCCC[NH2+]C[C@@H]1CN(C(=O)C(F)C(F)(F)F)CCCO1 ZINC001200553925 1338415248 /nfs/dbraw/zinc/41/52/48/1338415248.db2.gz CIJWPKAUUVXCHZ-VXGBXAGGSA-N 1 2 326.334 2.060 20 30 EEEDLO C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)CCCO1 ZINC001200553925 1338415250 /nfs/dbraw/zinc/41/52/50/1338415250.db2.gz CIJWPKAUUVXCHZ-VXGBXAGGSA-N 1 2 326.334 2.060 20 30 EEEDLO CCN(CCNC(=O)C#CC(C)C)c1nc(C)[nH+]c2c1CCCC2 ZINC001100518557 1338469499 /nfs/dbraw/zinc/46/94/99/1338469499.db2.gz ODFAUBTUASUSMB-UHFFFAOYSA-N 1 2 328.460 2.266 20 30 EEEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCO[C@@H](CCC)C1 ZINC001355974465 1338776873 /nfs/dbraw/zinc/77/68/73/1338776873.db2.gz AHMMONHPLBFTQX-HNNXBMFYSA-N 1 2 344.463 2.184 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(-c3c[nH]nn3)cc2)C1 ZINC001575054646 1343725250 /nfs/dbraw/zinc/72/52/50/1343725250.db2.gz VWARULXNQAENHU-KRWDZBQOSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-c3c[nH]nn3)cc2)C1 ZINC001575054646 1343725252 /nfs/dbraw/zinc/72/52/52/1343725252.db2.gz VWARULXNQAENHU-KRWDZBQOSA-N 1 2 345.834 2.418 20 30 EEEDLO C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC001589966137 1349084006 /nfs/dbraw/zinc/08/40/06/1349084006.db2.gz XRIWUQKIVADCNI-NSHDSACASA-N 1 2 349.354 2.497 20 30 EEEDLO COCCN(CC(C)C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001647672693 1353372646 /nfs/dbraw/zinc/37/26/46/1353372646.db2.gz BFQREGRLNKKZNJ-UHFFFAOYSA-N 1 2 348.495 2.017 20 30 EEEDLO COc1cccc([C@@H]2CN(C(=O)c3csc(C#N)c3)CC[NH2+]2)c1 ZINC001649942566 1353657918 /nfs/dbraw/zinc/65/79/18/1353657918.db2.gz WCAHYNJTRXYAJH-INIZCTEOSA-N 1 2 327.409 2.415 20 30 EEEDLO CN(C)c1ncccc1C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC001649964561 1353666093 /nfs/dbraw/zinc/66/60/93/1353666093.db2.gz YZQJZWDPAMXGOI-UHFFFAOYSA-N 1 2 339.418 2.481 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](Cc2cnnn2-c2ccccc2)C1 ZINC001660991341 1354570063 /nfs/dbraw/zinc/57/00/63/1354570063.db2.gz IKMWSABTCWZAFJ-INIZCTEOSA-N 1 2 339.443 2.314 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2-c2ccccc2)C1 ZINC001660991341 1354570066 /nfs/dbraw/zinc/57/00/66/1354570066.db2.gz IKMWSABTCWZAFJ-INIZCTEOSA-N 1 2 339.443 2.314 20 30 EEEDLO C=CCC(F)(F)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000815104192 1367815061 /nfs/dbraw/zinc/81/50/61/1367815061.db2.gz DGAMPLGSLVWFJP-UHFFFAOYSA-N 1 2 344.324 2.311 20 30 EEEDLO C=CCN1C(=O)C2(CC[NH+](CC(=O)OC)CC2)[C@@H]1c1ccccc1 ZINC001273931651 1368883452 /nfs/dbraw/zinc/88/34/52/1368883452.db2.gz QXTHXFHMRPYBPR-KRWDZBQOSA-N 1 2 328.412 2.011 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](CNc3cc[nH+]c(C)n3)C2)nc1 ZINC001069478281 1370140607 /nfs/dbraw/zinc/14/06/07/1370140607.db2.gz OBZGEPFJSIJGBO-HOTGVXAUSA-N 1 2 335.411 2.172 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC(CC)(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001069516126 1370166346 /nfs/dbraw/zinc/16/63/46/1370166346.db2.gz NNJZQYNVICJHBB-UHFFFAOYSA-N 1 2 346.475 2.360 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001070952267 1370372192 /nfs/dbraw/zinc/37/21/92/1370372192.db2.gz OCSLLIRLGOTLIB-CQSZACIVSA-N 1 2 340.427 2.496 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2cocn2)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001071388478 1370496616 /nfs/dbraw/zinc/49/66/16/1370496616.db2.gz GZIQWHIQWAOQLY-IUODEOHRSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2cocn2)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001071388478 1370496619 /nfs/dbraw/zinc/49/66/19/1370496619.db2.gz GZIQWHIQWAOQLY-IUODEOHRSA-N 1 2 342.374 2.468 20 30 EEEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)cs1 ZINC001072544721 1370736853 /nfs/dbraw/zinc/73/68/53/1370736853.db2.gz VIJLJVXFMSTZDK-STQMWFEESA-N 1 2 348.472 2.044 20 30 EEEDLO CO[C@@H](C)c1nc(C[N@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)cs1 ZINC001072544721 1370736855 /nfs/dbraw/zinc/73/68/55/1370736855.db2.gz VIJLJVXFMSTZDK-STQMWFEESA-N 1 2 348.472 2.044 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001073103277 1370818131 /nfs/dbraw/zinc/81/81/31/1370818131.db2.gz XQUVOXZZXPPGBI-OAHLLOKOSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001073103277 1370818135 /nfs/dbraw/zinc/81/81/35/1370818135.db2.gz XQUVOXZZXPPGBI-OAHLLOKOSA-N 1 2 346.475 2.442 20 30 EEEDLO Cc1nc(NC[C@@H](C)CNC(=O)C#CC2CC2)c2c([nH+]1)CCCC2 ZINC001103936556 1371080267 /nfs/dbraw/zinc/08/02/67/1371080267.db2.gz PMXNFZPUMNMPCX-ZDUSSCGKSA-N 1 2 326.444 2.241 20 30 EEEDLO COc1nscc1C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C#CC2CC2)C1 ZINC001111741793 1371237259 /nfs/dbraw/zinc/23/72/59/1371237259.db2.gz PLDQZMXPBGMGJA-YJBOKZPZSA-N 1 2 345.468 2.036 20 30 EEEDLO COc1nscc1C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C#CC2CC2)C1 ZINC001111741793 1371237265 /nfs/dbraw/zinc/23/72/65/1371237265.db2.gz PLDQZMXPBGMGJA-YJBOKZPZSA-N 1 2 345.468 2.036 20 30 EEEDLO C[C@@H](CCCNc1ccc(C#N)nc1)NC(=O)CCc1c[nH+]cn1C ZINC001114977333 1371468877 /nfs/dbraw/zinc/46/88/77/1371468877.db2.gz WAQLJKLEPCXEEZ-AWEZNQCLSA-N 1 2 340.431 2.016 20 30 EEEDLO C=CCOCC(=O)N1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C[C@@H]1C ZINC001123212817 1372108783 /nfs/dbraw/zinc/10/87/83/1372108783.db2.gz HUMSOKPQEISEDA-ZFWWWQNUSA-N 1 2 344.459 2.268 20 30 EEEDLO C=CCOCC(=O)N1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC001123212970 1372108890 /nfs/dbraw/zinc/10/88/90/1372108890.db2.gz ITZUTCXXPDFGMA-DZGCQCFKSA-N 1 2 330.432 2.266 20 30 EEEDLO C=CC[N@H+](CCc1ccco1)CN1C(=O)[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000840041951 1372918993 /nfs/dbraw/zinc/91/89/93/1372918993.db2.gz NBNNXAMWVPWJPE-IEBWSBKVSA-N 1 2 330.428 2.438 20 30 EEEDLO C=CC[N@@H+](CCc1ccco1)CN1C(=O)[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000840041951 1372918998 /nfs/dbraw/zinc/91/89/98/1372918998.db2.gz NBNNXAMWVPWJPE-IEBWSBKVSA-N 1 2 330.428 2.438 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc(Cl)cn1 ZINC001366215395 1373842333 /nfs/dbraw/zinc/84/23/33/1373842333.db2.gz ANEQWPLJKYKIGC-CYBMUJFWSA-N 1 2 331.247 2.260 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc(Cl)cn1 ZINC001366215395 1373842336 /nfs/dbraw/zinc/84/23/36/1373842336.db2.gz ANEQWPLJKYKIGC-CYBMUJFWSA-N 1 2 331.247 2.260 20 30 EEEDLO CCc1nc(C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)co1 ZINC001366520205 1373933515 /nfs/dbraw/zinc/93/35/15/1373933515.db2.gz NUWBZJMIHAOENI-UHFFFAOYSA-N 1 2 330.363 2.110 20 30 EEEDLO CCc1nc(C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)co1 ZINC001366520205 1373933523 /nfs/dbraw/zinc/93/35/23/1373933523.db2.gz NUWBZJMIHAOENI-UHFFFAOYSA-N 1 2 330.363 2.110 20 30 EEEDLO Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001372154959 1375815996 /nfs/dbraw/zinc/81/59/96/1375815996.db2.gz IYBOPUMZCZIJBW-CYBMUJFWSA-N 1 2 339.443 2.250 20 30 EEEDLO Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001372154959 1375815998 /nfs/dbraw/zinc/81/59/98/1375815998.db2.gz IYBOPUMZCZIJBW-CYBMUJFWSA-N 1 2 339.443 2.250 20 30 EEEDLO Cc1cc(C(=O)NCC[N@H+](Cc2ccccc2C#N)C2CC2)ncn1 ZINC001377525800 1379335510 /nfs/dbraw/zinc/33/55/10/1379335510.db2.gz WLBMWBHEZXTHLQ-UHFFFAOYSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1cc(C(=O)NCC[N@@H+](Cc2ccccc2C#N)C2CC2)ncn1 ZINC001377525800 1379335515 /nfs/dbraw/zinc/33/55/15/1379335515.db2.gz WLBMWBHEZXTHLQ-UHFFFAOYSA-N 1 2 335.411 2.051 20 30 EEEDLO C[C@@H](C#N)C(=O)N(C)CC[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC001377739933 1379485954 /nfs/dbraw/zinc/48/59/54/1379485954.db2.gz QCEWPSQSVIYJIQ-HNNXBMFYSA-N 1 2 348.878 2.076 20 30 EEEDLO C[C@@H](C#N)C(=O)N(C)CCN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001377739933 1379485958 /nfs/dbraw/zinc/48/59/58/1379485958.db2.gz QCEWPSQSVIYJIQ-HNNXBMFYSA-N 1 2 348.878 2.076 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCC(=O)NC(C)C)[C@@H]1C ZINC001379665055 1380806902 /nfs/dbraw/zinc/80/69/02/1380806902.db2.gz XYLOIJJDSPRSRS-LSDHHAIUSA-N 1 2 343.899 2.403 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCC(=O)NC(C)C)[C@@H]1C ZINC001379665055 1380806911 /nfs/dbraw/zinc/80/69/11/1380806911.db2.gz XYLOIJJDSPRSRS-LSDHHAIUSA-N 1 2 343.899 2.403 20 30 EEEDLO Cc1ncccc1CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001380005414 1380993600 /nfs/dbraw/zinc/99/36/00/1380993600.db2.gz KXUIUMYZQDZDLH-OAHLLOKOSA-N 1 2 340.452 2.256 20 30 EEEDLO Cc1ncccc1CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001380005414 1380993604 /nfs/dbraw/zinc/99/36/04/1380993604.db2.gz KXUIUMYZQDZDLH-OAHLLOKOSA-N 1 2 340.452 2.256 20 30 EEEDLO C[N@H+](CCNC(=O)Cc1ccc2c(c1)CCO2)Cc1ccccc1C#N ZINC001390788817 1388782973 /nfs/dbraw/zinc/78/29/73/1388782973.db2.gz DLERRYQWRNPLFH-UHFFFAOYSA-N 1 2 349.434 2.284 20 30 EEEDLO C[N@@H+](CCNC(=O)Cc1ccc2c(c1)CCO2)Cc1ccccc1C#N ZINC001390788817 1388782979 /nfs/dbraw/zinc/78/29/79/1388782979.db2.gz DLERRYQWRNPLFH-UHFFFAOYSA-N 1 2 349.434 2.284 20 30 EEEDLO COCc1nc(C[N@H+](CCCNC(=O)C#CC(C)C)C2CC2)cs1 ZINC001752253575 1406248438 /nfs/dbraw/zinc/24/84/38/1406248438.db2.gz MXKZDQKRRXBJMO-UHFFFAOYSA-N 1 2 349.500 2.420 20 30 EEEDLO COCc1nc(C[N@@H+](CCCNC(=O)C#CC(C)C)C2CC2)cs1 ZINC001752253575 1406248453 /nfs/dbraw/zinc/24/84/53/1406248453.db2.gz MXKZDQKRRXBJMO-UHFFFAOYSA-N 1 2 349.500 2.420 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1c(F)cccc1NC(N)=O ZINC001392699024 1390162281 /nfs/dbraw/zinc/16/22/81/1390162281.db2.gz CLOFXGDWGNGSAM-JTQLQIEISA-N 1 2 342.802 2.119 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1c(F)cccc1NC(N)=O ZINC001392699024 1390162284 /nfs/dbraw/zinc/16/22/84/1390162284.db2.gz CLOFXGDWGNGSAM-JTQLQIEISA-N 1 2 342.802 2.119 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)CC1(C)CC1 ZINC001392840295 1390216618 /nfs/dbraw/zinc/21/66/18/1390216618.db2.gz MZZXMVVRTIUICC-MRXNPFEDSA-N 1 2 327.428 2.448 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)CC1(C)CC1 ZINC001392840295 1390216620 /nfs/dbraw/zinc/21/66/20/1390216620.db2.gz MZZXMVVRTIUICC-MRXNPFEDSA-N 1 2 327.428 2.448 20 30 EEEDLO C#CCCCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(OC)no1 ZINC001752817470 1406439087 /nfs/dbraw/zinc/43/90/87/1406439087.db2.gz YTXYBZQBUAZDPU-OAHLLOKOSA-N 1 2 333.432 2.348 20 30 EEEDLO C#CCCCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(OC)no1 ZINC001752817470 1406439111 /nfs/dbraw/zinc/43/91/11/1406439111.db2.gz YTXYBZQBUAZDPU-OAHLLOKOSA-N 1 2 333.432 2.348 20 30 EEEDLO C[N@H+](CCNC(=O)c1cccn2nccc12)Cc1ccccc1C#N ZINC001753055959 1406645750 /nfs/dbraw/zinc/64/57/50/1406645750.db2.gz OKZQEHBXACEFRY-UHFFFAOYSA-N 1 2 333.395 2.068 20 30 EEEDLO C[N@@H+](CCNC(=O)c1cccn2nccc12)Cc1ccccc1C#N ZINC001753055959 1406645758 /nfs/dbraw/zinc/64/57/58/1406645758.db2.gz OKZQEHBXACEFRY-UHFFFAOYSA-N 1 2 333.395 2.068 20 30 EEEDLO C=C1CC(C)(C(=O)NCC[N@@H+](C)Cc2nc3ccccc3n2C)C1 ZINC001753063565 1406657051 /nfs/dbraw/zinc/65/70/51/1406657051.db2.gz WKNWIHBLLSLJCD-UHFFFAOYSA-N 1 2 326.444 2.478 20 30 EEEDLO C=C1CC(C)(C(=O)NCC[N@H+](C)Cc2nc3ccccc3n2C)C1 ZINC001753063565 1406657055 /nfs/dbraw/zinc/65/70/55/1406657055.db2.gz WKNWIHBLLSLJCD-UHFFFAOYSA-N 1 2 326.444 2.478 20 30 EEEDLO CC#CCCCC(=O)NCC[N@H+](C)CC(=O)Nc1ccccc1F ZINC001753062127 1406657688 /nfs/dbraw/zinc/65/76/88/1406657688.db2.gz WDVBESFXFWCASA-UHFFFAOYSA-N 1 2 333.407 2.006 20 30 EEEDLO CC#CCCCC(=O)NCC[N@@H+](C)CC(=O)Nc1ccccc1F ZINC001753062127 1406657695 /nfs/dbraw/zinc/65/76/95/1406657695.db2.gz WDVBESFXFWCASA-UHFFFAOYSA-N 1 2 333.407 2.006 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1F ZINC001753102441 1406689535 /nfs/dbraw/zinc/68/95/35/1406689535.db2.gz KEEKCSXCNSXISI-CZUORRHYSA-N 1 2 336.382 2.084 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1F ZINC001753102441 1406689556 /nfs/dbraw/zinc/68/95/56/1406689556.db2.gz KEEKCSXCNSXISI-CZUORRHYSA-N 1 2 336.382 2.084 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)CCc2cncn2C)C1 ZINC001400148406 1395974926 /nfs/dbraw/zinc/97/49/26/1395974926.db2.gz MWXVBKKHZNEDCT-INIZCTEOSA-N 1 2 338.883 2.418 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)CCc2cncn2C)C1 ZINC001400148406 1395974932 /nfs/dbraw/zinc/97/49/32/1395974932.db2.gz MWXVBKKHZNEDCT-INIZCTEOSA-N 1 2 338.883 2.418 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnn2cccc(OC)c12 ZINC001401409483 1397250862 /nfs/dbraw/zinc/25/08/62/1397250862.db2.gz RPQUYWUDMGICLH-UHFFFAOYSA-N 1 2 336.823 2.099 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnn2cccc(OC)c12 ZINC001401409483 1397250867 /nfs/dbraw/zinc/25/08/67/1397250867.db2.gz RPQUYWUDMGICLH-UHFFFAOYSA-N 1 2 336.823 2.099 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(CCNC(=O)CC3CCC3)CC2)s1 ZINC001402106904 1397770554 /nfs/dbraw/zinc/77/05/54/1397770554.db2.gz UNGDTQLHBZMNHP-UHFFFAOYSA-N 1 2 346.500 2.044 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1cnc(C)cn1 ZINC001402622218 1398096953 /nfs/dbraw/zinc/09/69/53/1398096953.db2.gz UWVBNIYXZIWAGL-UHFFFAOYSA-N 1 2 341.253 2.088 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1cnc(C)cn1 ZINC001402622218 1398096961 /nfs/dbraw/zinc/09/69/61/1398096961.db2.gz UWVBNIYXZIWAGL-UHFFFAOYSA-N 1 2 341.253 2.088 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1conc1C(F)(F)F ZINC001403149402 1398431357 /nfs/dbraw/zinc/43/13/57/1398431357.db2.gz XHNNIJITODBCII-QMMMGPOBSA-N 1 2 325.718 2.496 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1conc1C(F)(F)F ZINC001403149402 1398431358 /nfs/dbraw/zinc/43/13/58/1398431358.db2.gz XHNNIJITODBCII-QMMMGPOBSA-N 1 2 325.718 2.496 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](OCC)C1CCCC1)CCO2 ZINC001755050716 1407057516 /nfs/dbraw/zinc/05/75/16/1407057516.db2.gz ZSIYQJDVYXDZBD-KRWDZBQOSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCCCCC[NH+]1CC2(C1)CN(C(=O)c1ccnc(C)n1)CCO2 ZINC001755051088 1407058022 /nfs/dbraw/zinc/05/80/22/1407058022.db2.gz LQIVEDGDHWLCQV-UHFFFAOYSA-N 1 2 344.459 2.058 20 30 EEEDLO C#CCCCCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001755114174 1407125079 /nfs/dbraw/zinc/12/50/79/1407125079.db2.gz LXLUHTFTJJVAFR-ZBFHGGJFSA-N 1 2 344.459 2.467 20 30 EEEDLO CCc1cccc(NC(=O)C[N@H+](C)[C@H](C)CNC(=O)C#CC(C)C)c1 ZINC001755297770 1407301776 /nfs/dbraw/zinc/30/17/76/1407301776.db2.gz CYBMGWYRXHORAZ-MRXNPFEDSA-N 1 2 343.471 2.283 20 30 EEEDLO CCc1cccc(NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C#CC(C)C)c1 ZINC001755297770 1407301786 /nfs/dbraw/zinc/30/17/86/1407301786.db2.gz CYBMGWYRXHORAZ-MRXNPFEDSA-N 1 2 343.471 2.283 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccncc1Cl ZINC001755316859 1407314856 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/nfs/dbraw/zinc/77/79/30/1407777930.db2.gz AEJXOUMNJTVLNM-HOCLYGCPSA-N 1 2 332.448 2.311 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc3n(n2)CCCC3)[C@H]1C ZINC001755732021 1407792809 /nfs/dbraw/zinc/79/28/09/1407792809.db2.gz QXWJLDOMUSXCSB-QFBILLFUSA-N 1 2 342.487 2.492 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc3n(n2)CCCC3)[C@H]1C ZINC001755732021 1407792811 /nfs/dbraw/zinc/79/28/11/1407792811.db2.gz QXWJLDOMUSXCSB-QFBILLFUSA-N 1 2 342.487 2.492 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)C1CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001756151861 1408181976 /nfs/dbraw/zinc/18/19/76/1408181976.db2.gz DHECXZROWKGHFX-HNNXBMFYSA-N 1 2 346.475 2.229 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC1(C)C ZINC001756178265 1408202028 /nfs/dbraw/zinc/20/20/28/1408202028.db2.gz ALWSJUFRLMBSLU-OAHLLOKOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC1(C)C ZINC001756178265 1408202033 /nfs/dbraw/zinc/20/20/33/1408202033.db2.gz ALWSJUFRLMBSLU-OAHLLOKOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)CCn2cc[nH+]c2)CC1 ZINC001756826229 1409375272 /nfs/dbraw/zinc/37/52/72/1409375272.db2.gz HTUBQIMJKBNYAP-CVEARBPZSA-N 1 2 346.475 2.419 20 30 EEEDLO N#C[C@H](C(=O)C[N@@H+]1CC2CCC1CC2)c1nc2ccccc2c(=O)[nH]1 ZINC001771640699 1409810410 /nfs/dbraw/zinc/81/04/10/1409810410.db2.gz QAINAOOBZUCEDG-SSDMNJCBSA-N 1 2 336.395 2.386 20 30 EEEDLO N#C[C@H](C(=O)C[N@H+]1CC2CCC1CC2)c1nc2ccccc2c(=O)[nH]1 ZINC001771640699 1409810421 /nfs/dbraw/zinc/81/04/21/1409810421.db2.gz QAINAOOBZUCEDG-SSDMNJCBSA-N 1 2 336.395 2.386 20 30 EEEDLO N#Cc1cccnc1NC[C@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001123804165 1410313284 /nfs/dbraw/zinc/31/32/84/1410313284.db2.gz JJDPTLDAFUNLJZ-DZGCQCFKSA-N 1 2 338.415 2.006 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC2(C[NH+](CC#CC)C2)n2ccnc21 ZINC001101639329 1410713011 /nfs/dbraw/zinc/71/30/11/1410713011.db2.gz HYGPHUFVZSHYEG-JKSUJKDBSA-N 1 2 326.444 2.081 20 30 EEEDLO 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757370626 /nfs/dbraw/zinc/37/06/26/757370626.db2.gz OYEZCSOJRBMUEB-OLZOCXBDSA-N 1 2 340.431 2.028 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CCO1 ZINC001104312097 758352734 /nfs/dbraw/zinc/35/27/34/758352734.db2.gz SGOGCRJJETYTIZ-OAHLLOKOSA-N 1 2 332.448 2.196 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001111488875 759367850 /nfs/dbraw/zinc/36/78/50/759367850.db2.gz YLHOUUOTJYBQSK-CRNXPOROSA-N 1 2 333.432 2.104 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001111488875 759367860 /nfs/dbraw/zinc/36/78/60/759367860.db2.gz YLHOUUOTJYBQSK-CRNXPOROSA-N 1 2 333.432 2.104 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001104701146 764783041 /nfs/dbraw/zinc/78/30/41/764783041.db2.gz ZEWDPVGRJFOXKV-GFCCVEGCSA-N 1 2 330.436 2.224 20 30 EEEDLO C[C@H](CNc1ncccc1C#N)N(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001104801513 765316796 /nfs/dbraw/zinc/31/67/96/765316796.db2.gz JFKJJXHEUQKHPJ-OCCSQVGLSA-N 1 2 338.415 2.055 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1cc[nH+]c(C)n1 ZINC001104849100 765426498 /nfs/dbraw/zinc/42/64/98/765426498.db2.gz JEFIYRUYEXGVTJ-KMFMINBZSA-N 1 2 332.448 2.415 20 30 EEEDLO C=CCOCCCC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001105035955 768919816 /nfs/dbraw/zinc/91/98/16/768919816.db2.gz VPSWVWGLGXYBPM-HOCLYGCPSA-N 1 2 332.448 2.417 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H]([C@@H](C)Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001105079742 769013439 /nfs/dbraw/zinc/01/34/39/769013439.db2.gz SFOUIJCGYMFOMP-UKRRQHHQSA-N 1 2 346.479 2.251 20 30 EEEDLO Cc1nc(NC[C@@H]2[C@H](C)CCCN2C(=O)CSCC#N)cc[nH+]1 ZINC001105088091 769031268 /nfs/dbraw/zinc/03/12/68/769031268.db2.gz AEJTXUIFLXSGBM-TZMCWYRMSA-N 1 2 333.461 2.081 20 30 EEEDLO CC(C)[C@H](CNC(=O)c1cccc2[nH+]ccn21)Nc1ccc(C#N)nc1 ZINC001105250742 769467906 /nfs/dbraw/zinc/46/79/06/769467906.db2.gz VYZVLPWRTHMWHS-INIZCTEOSA-N 1 2 348.410 2.467 20 30 EEEDLO C#CCOc1ccc(C(=O)NCC2C[NH+](Cc3ccns3)C2)cc1 ZINC001032033151 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CCN(c1snc(C)c1C#N)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001089632295 773600256 /nfs/dbraw/zinc/60/02/56/773600256.db2.gz MZTMBHVNTUUEBB-LLVKDONJSA-N 1 2 346.460 2.010 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]ccc1C ZINC001027855319 773610099 /nfs/dbraw/zinc/61/00/99/773610099.db2.gz BLVDFOPSRGRGRJ-GFCCVEGCSA-N 1 2 326.238 2.426 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]ccc1C ZINC001027855319 773610102 /nfs/dbraw/zinc/61/01/02/773610102.db2.gz BLVDFOPSRGRGRJ-GFCCVEGCSA-N 1 2 326.238 2.426 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cnc(C4CC4)o3)C2)s1 ZINC001031739673 774171970 /nfs/dbraw/zinc/17/19/70/774171970.db2.gz YXZAJBPRHKTSGU-UHFFFAOYSA-N 1 2 342.424 2.347 20 30 EEEDLO C#CCCCCCC(=O)N(CC)CCNc1[nH+]cnc2c1cnn2C ZINC001106906985 774238328 /nfs/dbraw/zinc/23/83/28/774238328.db2.gz OSULCVAEZFJNSO-UHFFFAOYSA-N 1 2 342.447 2.207 20 30 EEEDLO C=C(Br)CN1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001031768901 775235969 /nfs/dbraw/zinc/23/59/69/775235969.db2.gz RQXBSPLKBAELLA-UHFFFAOYSA-N 1 2 349.232 2.133 20 30 EEEDLO CCO[C@H]1C[C@H]1C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000980748298 775423889 /nfs/dbraw/zinc/42/38/89/775423889.db2.gz HGHVRHCLPUUGQW-MOPGFXCFSA-N 1 2 344.430 2.137 20 30 EEEDLO CCO[C@H]1C[C@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000980748298 775423900 /nfs/dbraw/zinc/42/39/00/775423900.db2.gz HGHVRHCLPUUGQW-MOPGFXCFSA-N 1 2 344.430 2.137 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)sc1C ZINC000980990967 776244046 /nfs/dbraw/zinc/24/40/46/776244046.db2.gz DVWBKPZAZVQKQZ-UHFFFAOYSA-N 1 2 343.456 2.308 20 30 EEEDLO Cc1nc(C[N@H+]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)sc1C ZINC000980990967 776244049 /nfs/dbraw/zinc/24/40/49/776244049.db2.gz DVWBKPZAZVQKQZ-UHFFFAOYSA-N 1 2 343.456 2.308 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CC3(F)F)CC2)s1 ZINC000981117045 776530525 /nfs/dbraw/zinc/53/05/25/776530525.db2.gz XZVJEFGLIFMZLG-ZDUSSCGKSA-N 1 2 325.384 2.309 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC3(F)F)CC2)s1 ZINC000981117045 776530533 /nfs/dbraw/zinc/53/05/33/776530533.db2.gz XZVJEFGLIFMZLG-ZDUSSCGKSA-N 1 2 325.384 2.309 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]2CNC(=O)c2cnco2)ccc1F ZINC001028053001 776861174 /nfs/dbraw/zinc/86/11/74/776861174.db2.gz RSLHWEFUVNRWNR-AWEZNQCLSA-N 1 2 328.347 2.080 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@H]2CNC(=O)c2cnco2)ccc1F ZINC001028053001 776861176 /nfs/dbraw/zinc/86/11/76/776861176.db2.gz RSLHWEFUVNRWNR-AWEZNQCLSA-N 1 2 328.347 2.080 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CN2CCCCCCC2=O)CC1 ZINC000981286547 777067817 /nfs/dbraw/zinc/06/78/17/777067817.db2.gz LCHYIDHWYRXLHX-UHFFFAOYSA-N 1 2 341.883 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CN2CCCCCCC2=O)CC1 ZINC000981286547 777067823 /nfs/dbraw/zinc/06/78/23/777067823.db2.gz LCHYIDHWYRXLHX-UHFFFAOYSA-N 1 2 341.883 2.066 20 30 EEEDLO COC1CC(C(=O)N2CCC[N@H+](CC#Cc3ccc(F)cc3)CC2)C1 ZINC000981408973 777336224 /nfs/dbraw/zinc/33/62/24/777336224.db2.gz VDQLOHRRQOLBJZ-UHFFFAOYSA-N 1 2 344.430 2.137 20 30 EEEDLO COC1CC(C(=O)N2CCC[N@@H+](CC#Cc3ccc(F)cc3)CC2)C1 ZINC000981408973 777336226 /nfs/dbraw/zinc/33/62/26/777336226.db2.gz VDQLOHRRQOLBJZ-UHFFFAOYSA-N 1 2 344.430 2.137 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCc2ccc(C(N)=O)cc2)CC1 ZINC000981614969 777785902 /nfs/dbraw/zinc/78/59/02/777785902.db2.gz AYYYDKPMAYKDRF-UHFFFAOYSA-N 1 2 349.862 2.005 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCc2ccc(C(N)=O)cc2)CC1 ZINC000981614969 777785905 /nfs/dbraw/zinc/78/59/05/777785905.db2.gz AYYYDKPMAYKDRF-UHFFFAOYSA-N 1 2 349.862 2.005 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001028142348 778384555 /nfs/dbraw/zinc/38/45/55/778384555.db2.gz JXPXFLDUWQUOLE-XHSDSOJGSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001028142348 778384562 /nfs/dbraw/zinc/38/45/62/778384562.db2.gz JXPXFLDUWQUOLE-XHSDSOJGSA-N 1 2 349.862 2.407 20 30 EEEDLO C[C@H]1COCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000981905293 778502581 /nfs/dbraw/zinc/50/25/81/778502581.db2.gz LJVLQJJTQKZQGJ-WMLDXEAASA-N 1 2 347.484 2.327 20 30 EEEDLO C[C@H]1COCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000981905293 778502587 /nfs/dbraw/zinc/50/25/87/778502587.db2.gz LJVLQJJTQKZQGJ-WMLDXEAASA-N 1 2 347.484 2.327 20 30 EEEDLO C[C@H]1COCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000981905506 778508811 /nfs/dbraw/zinc/50/88/11/778508811.db2.gz MDBOKWHOYWCYGD-QFBILLFUSA-N 1 2 341.455 2.265 20 30 EEEDLO C[C@H]1COCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000981905506 778508815 /nfs/dbraw/zinc/50/88/15/778508815.db2.gz MDBOKWHOYWCYGD-QFBILLFUSA-N 1 2 341.455 2.265 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCC[N@@H+]([C@H](C)c1nncn1C)C2 ZINC000981987631 778777487 /nfs/dbraw/zinc/77/74/87/778777487.db2.gz GJSASLGDHQNSAE-QAPCUYQASA-N 1 2 345.491 2.403 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCC[N@H+]([C@H](C)c1nncn1C)C2 ZINC000981987631 778777493 /nfs/dbraw/zinc/77/74/93/778777493.db2.gz GJSASLGDHQNSAE-QAPCUYQASA-N 1 2 345.491 2.403 20 30 EEEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2cc(C)co2)C1 ZINC001031913582 779415284 /nfs/dbraw/zinc/41/52/84/779415284.db2.gz LCHUZONTGHLNMX-UHFFFAOYSA-N 1 2 339.395 2.330 20 30 EEEDLO Cc1conc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001028247690 779629769 /nfs/dbraw/zinc/62/97/69/779629769.db2.gz UKAHWZGERNGSIK-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1conc1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001028247690 779629771 /nfs/dbraw/zinc/62/97/71/779629771.db2.gz UKAHWZGERNGSIK-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC001028269402 779831748 /nfs/dbraw/zinc/83/17/48/779831748.db2.gz LPPILDRDMTWSOI-MRXNPFEDSA-N 1 2 349.862 2.335 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC001028269402 779831757 /nfs/dbraw/zinc/83/17/57/779831757.db2.gz LPPILDRDMTWSOI-MRXNPFEDSA-N 1 2 349.862 2.335 20 30 EEEDLO C=CCC1(C(=O)N[C@@H](C)CCNC(=O)CCn2cc[nH+]c2)CCCC1 ZINC001077574720 780396404 /nfs/dbraw/zinc/39/64/04/780396404.db2.gz PPUKJTWVFZMIAJ-INIZCTEOSA-N 1 2 346.475 2.421 20 30 EEEDLO C=CCOCCCC(=O)N1CCC[C@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001098678288 780860174 /nfs/dbraw/zinc/86/01/74/780860174.db2.gz PSAGVEUVNPWTHU-INIZCTEOSA-N 1 2 332.448 2.195 20 30 EEEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)C=C(C)C ZINC001211807587 780900747 /nfs/dbraw/zinc/90/07/47/780900747.db2.gz CKXBTTGSXNSVHR-QZTJIDSGSA-N 1 2 346.858 2.473 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)C=C(C)C ZINC001211807587 780900748 /nfs/dbraw/zinc/90/07/48/780900748.db2.gz CKXBTTGSXNSVHR-QZTJIDSGSA-N 1 2 346.858 2.473 20 30 EEEDLO O=C([C@H]1CCCOC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029237719 781551691 /nfs/dbraw/zinc/55/16/91/781551691.db2.gz DIKFGHZBZDPBOG-SLFFLAALSA-N 1 2 338.451 2.140 20 30 EEEDLO O=C([C@H]1CCCOC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029237719 781551695 /nfs/dbraw/zinc/55/16/95/781551695.db2.gz DIKFGHZBZDPBOG-SLFFLAALSA-N 1 2 338.451 2.140 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)no2)C[C@@H]1C ZINC000942123223 781773574 /nfs/dbraw/zinc/77/35/74/781773574.db2.gz RKJSELFEXJRUCW-ZFWWWQNUSA-N 1 2 343.431 2.006 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2nc(C)no2)C[C@@H]1C ZINC000942123223 781773583 /nfs/dbraw/zinc/77/35/83/781773583.db2.gz RKJSELFEXJRUCW-ZFWWWQNUSA-N 1 2 343.431 2.006 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H](N(C)c2[nH+]cnc3c2cnn3C)C1 ZINC001098724416 783244063 /nfs/dbraw/zinc/24/40/63/783244063.db2.gz PFFMEFYOQOCFCA-AWEZNQCLSA-N 1 2 342.447 2.147 20 30 EEEDLO CCCCc1nc(C[NH2+][C@@H]2CCCCCN(C(=O)[C@H](C)C#N)C2)no1 ZINC001088280437 783345690 /nfs/dbraw/zinc/34/56/90/783345690.db2.gz QVBXTWAKEGLAPW-HUUCEWRRSA-N 1 2 347.463 2.433 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)OCc2cccc(C)c2)C1 ZINC001108101799 783358081 /nfs/dbraw/zinc/35/80/81/783358081.db2.gz RSXJPMYLCQOLDY-PXNSSMCTSA-N 1 2 346.471 2.293 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)OCc2cccc(C)c2)C1 ZINC001108101799 783358090 /nfs/dbraw/zinc/35/80/90/783358090.db2.gz RSXJPMYLCQOLDY-PXNSSMCTSA-N 1 2 346.471 2.293 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NCC[NH2+][C@@H](C)c1nc(C(C)C)no1 ZINC001131869930 783370869 /nfs/dbraw/zinc/37/08/69/783370869.db2.gz LMQGEXHGQSXHFM-GUYCJALGSA-N 1 2 338.452 2.189 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc3ccccc3o2)C1 ZINC001131943468 783505002 /nfs/dbraw/zinc/50/50/02/783505002.db2.gz PWKWKHHKPWCMRN-HUUCEWRRSA-N 1 2 343.427 2.500 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc3ccccc3o2)C1 ZINC001131943468 783505008 /nfs/dbraw/zinc/50/50/08/783505008.db2.gz PWKWKHHKPWCMRN-HUUCEWRRSA-N 1 2 343.427 2.500 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC001131945763 783507643 /nfs/dbraw/zinc/50/76/43/783507643.db2.gz AFFKUEUSBMIECH-SWLSCSKDSA-N 1 2 337.489 2.432 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nc(C)c(C)s2)C1 ZINC001131945763 783507646 /nfs/dbraw/zinc/50/76/46/783507646.db2.gz AFFKUEUSBMIECH-SWLSCSKDSA-N 1 2 337.489 2.432 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)CC1 ZINC000945499627 784216509 /nfs/dbraw/zinc/21/65/09/784216509.db2.gz LJPOHQQHULMRQP-GDBMZVCRSA-N 1 2 344.459 2.052 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001035431026 784515319 /nfs/dbraw/zinc/51/53/19/784515319.db2.gz JWTXVHRQXJNUNR-SFHVURJKSA-N 1 2 325.412 2.094 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001035431026 784515324 /nfs/dbraw/zinc/51/53/24/784515324.db2.gz JWTXVHRQXJNUNR-SFHVURJKSA-N 1 2 325.412 2.094 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccnc2C(F)F)C1 ZINC001035439679 784530130 /nfs/dbraw/zinc/53/01/30/784530130.db2.gz FEPKTKDBCOJCJZ-LBPRGKRZSA-N 1 2 325.359 2.026 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccnc2C(F)F)C1 ZINC001035439679 784530137 /nfs/dbraw/zinc/53/01/37/784530137.db2.gz FEPKTKDBCOJCJZ-LBPRGKRZSA-N 1 2 325.359 2.026 20 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/nfs/dbraw/zinc/00/17/39/785001739.db2.gz AJEXCPNUKXXKBK-ZIAGYGMSSA-N 1 2 348.752 2.021 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(F)c(F)cc2F)[C@H](O)C1 ZINC001090526112 785001743 /nfs/dbraw/zinc/00/17/43/785001743.db2.gz AJEXCPNUKXXKBK-ZIAGYGMSSA-N 1 2 348.752 2.021 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CCc1ccnn1C)CC2 ZINC001035716803 785005384 /nfs/dbraw/zinc/00/53/84/785005384.db2.gz PEZZVWQFOCCPQI-UHFFFAOYSA-N 1 2 336.867 2.030 20 30 EEEDLO C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1c3cn[nH]c3CC[C@H]1C)CC2 ZINC001035752311 785059045 /nfs/dbraw/zinc/05/90/45/785059045.db2.gz GKMXNIAJFHZURG-PBHICJAKSA-N 1 2 328.460 2.186 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@]1(C)CCCOC1)CC2 ZINC001035824921 785185404 /nfs/dbraw/zinc/18/54/04/785185404.db2.gz SDFLVPKJTYMVHR-INIZCTEOSA-N 1 2 326.868 2.480 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc(C)cs2)[C@@H]1C ZINC001088868224 791105399 /nfs/dbraw/zinc/10/53/99/791105399.db2.gz RECYDNOOVWRBNZ-KBXIAJHMSA-N 1 2 335.473 2.122 20 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ZINC001107205982 786412810 /nfs/dbraw/zinc/41/28/10/786412810.db2.gz HFIWQDMCIOVABQ-KDOFPFPSSA-N 1 2 331.464 2.153 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@@H](C)CC(C)(C)C)nn2)C1 ZINC001107213479 786443489 /nfs/dbraw/zinc/44/34/89/786443489.db2.gz CFNVDCPZDHWTRF-CQSZACIVSA-N 1 2 333.480 2.399 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cc(C)ccc2C)[C@@H](O)C1 ZINC001090538699 786811794 /nfs/dbraw/zinc/81/17/94/786811794.db2.gz KLEFNJCMGBDQHF-SJORKVTESA-N 1 2 336.863 2.150 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc(C)ccc2C)[C@@H](O)C1 ZINC001090538699 786811806 /nfs/dbraw/zinc/81/18/06/786811806.db2.gz KLEFNJCMGBDQHF-SJORKVTESA-N 1 2 336.863 2.150 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cncc(F)c3)C[C@@H]2O)CC1 ZINC001090548588 786832563 /nfs/dbraw/zinc/83/25/63/786832563.db2.gz ZSZVXTGPKDQPTJ-MSOLQXFVSA-N 1 2 347.434 2.019 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cncc(F)c3)C[C@@H]2O)CC1 ZINC001090548588 786832570 /nfs/dbraw/zinc/83/25/70/786832570.db2.gz ZSZVXTGPKDQPTJ-MSOLQXFVSA-N 1 2 347.434 2.019 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c2C2CCC2)[C@@H](O)C1 ZINC001090574663 787026481 /nfs/dbraw/zinc/02/64/81/787026481.db2.gz VQZAHFBSDVGUIM-CABCVRRESA-N 1 2 337.851 2.200 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c2C2CCC2)[C@@H](O)C1 ZINC001090574663 787026491 /nfs/dbraw/zinc/02/64/91/787026491.db2.gz VQZAHFBSDVGUIM-CABCVRRESA-N 1 2 337.851 2.200 20 30 EEEDLO C=CCCC(=O)N[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C12CCC2 ZINC001090600072 787195547 /nfs/dbraw/zinc/19/55/47/787195547.db2.gz QMSYIWRDMMDVSC-UONOGXRCSA-N 1 2 340.431 2.169 20 30 EEEDLO Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N ZINC001032317496 787208655 /nfs/dbraw/zinc/20/86/55/787208655.db2.gz UVHDSSSMUSBALH-COXVUDFISA-N 1 2 326.444 2.458 20 30 EEEDLO Cc1nc(C(C)C)ccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N ZINC001032317496 787208662 /nfs/dbraw/zinc/20/86/62/787208662.db2.gz UVHDSSSMUSBALH-COXVUDFISA-N 1 2 326.444 2.458 20 30 EEEDLO C=CCCC1(C(=O)N(C)CCCNc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001109620148 805767329 /nfs/dbraw/zinc/76/73/29/805767329.db2.gz NORVVCLBASQBIK-UHFFFAOYSA-N 1 2 346.479 2.253 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2scnc2C(C)C)[C@H](O)C1 ZINC001090633107 787435641 /nfs/dbraw/zinc/43/56/41/787435641.db2.gz LWVBMTULUBTIIS-NWDGAFQWSA-N 1 2 343.880 2.184 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2scnc2C(C)C)[C@H](O)C1 ZINC001090633107 787435644 /nfs/dbraw/zinc/43/56/44/787435644.db2.gz LWVBMTULUBTIIS-NWDGAFQWSA-N 1 2 343.880 2.184 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2csc(C(C)C)n2)[C@@H](O)C1 ZINC001090651737 787586539 /nfs/dbraw/zinc/58/65/39/787586539.db2.gz RKPZUZZQLKRSDX-AAEUAGOBSA-N 1 2 343.880 2.184 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2csc(C(C)C)n2)[C@@H](O)C1 ZINC001090651737 787586549 /nfs/dbraw/zinc/58/65/49/787586549.db2.gz RKPZUZZQLKRSDX-AAEUAGOBSA-N 1 2 343.880 2.184 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001062216703 787604385 /nfs/dbraw/zinc/60/43/85/787604385.db2.gz CXJWPNNBLNPFSF-HZPDHXFCSA-N 1 2 332.448 2.298 20 30 EEEDLO Cc1nsc(NCCCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1C#N ZINC001109637205 805812540 /nfs/dbraw/zinc/81/25/40/805812540.db2.gz LGQZMZBVMHVVGV-GFCCVEGCSA-N 1 2 346.460 2.431 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3ccncc32)[C@@H](O)C1 ZINC001090692869 787796896 /nfs/dbraw/zinc/79/68/96/787796896.db2.gz OVLOOJJFHPOKNH-IRXDYDNUSA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3ccncc32)[C@@H](O)C1 ZINC001090692869 787796903 /nfs/dbraw/zinc/79/69/03/787796903.db2.gz OVLOOJJFHPOKNH-IRXDYDNUSA-N 1 2 345.830 2.152 20 30 EEEDLO O=C(C#Cc1cccs1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000823841730 787958868 /nfs/dbraw/zinc/95/88/68/787958868.db2.gz ISMYSAWHIOOZPK-UHFFFAOYSA-N 1 2 340.448 2.323 20 30 EEEDLO CN(CCCNc1cccc(F)c1C#N)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001109656645 805837184 /nfs/dbraw/zinc/83/71/84/805837184.db2.gz DKQKMNNYGOEQAZ-CHWSQXEVSA-N 1 2 341.390 2.485 20 30 EEEDLO CN(CCCNc1cccc(F)c1C#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001109656645 805837193 /nfs/dbraw/zinc/83/71/93/805837193.db2.gz DKQKMNNYGOEQAZ-CHWSQXEVSA-N 1 2 341.390 2.485 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079021967 788389155 /nfs/dbraw/zinc/38/91/55/788389155.db2.gz WKWSITQYLYHFBM-CQSZACIVSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060787404 788635501 /nfs/dbraw/zinc/63/55/01/788635501.db2.gz JVSKSIRDYNNHGE-JYJNAYRXSA-N 1 2 346.475 2.346 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(C)[C@H]2CCCC[C@H]2C)cc1 ZINC000151165041 788682212 /nfs/dbraw/zinc/68/22/12/788682212.db2.gz KLDSOZQFOOVWIT-CJNGLKHVSA-N 1 2 333.432 2.369 20 30 EEEDLO C[C@]1(CNC(=O)C2=CCCC2)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107866125 788897191 /nfs/dbraw/zinc/89/71/91/788897191.db2.gz IVQIIEBOBAFJMA-FQEVSTJZSA-N 1 2 339.439 2.376 20 30 EEEDLO C[C@]1(CNC(=O)C2=CCCC2)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107866125 788897204 /nfs/dbraw/zinc/89/72/04/788897204.db2.gz IVQIIEBOBAFJMA-FQEVSTJZSA-N 1 2 339.439 2.376 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C3(CCOC)CC3)CC2)C1 ZINC001105713698 789139770 /nfs/dbraw/zinc/13/97/70/789139770.db2.gz QBNSTFIGBSKVMW-UHFFFAOYSA-N 1 2 336.476 2.071 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3cncc(C#N)c3)C[C@@H]21 ZINC001144074310 789208938 /nfs/dbraw/zinc/20/89/38/789208938.db2.gz HNFMZQDQDALCDI-HOTGVXAUSA-N 1 2 328.416 2.394 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3cncc(C#N)c3)C[C@@H]21 ZINC001144074310 789208949 /nfs/dbraw/zinc/20/89/49/789208949.db2.gz HNFMZQDQDALCDI-HOTGVXAUSA-N 1 2 328.416 2.394 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)[C@H]3CC34CCC4)CC2)C1 ZINC001105726089 789263623 /nfs/dbraw/zinc/26/36/23/789263623.db2.gz DVKGENNVJANJAY-GOSISDBHSA-N 1 2 348.487 2.071 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001060293240 789713194 /nfs/dbraw/zinc/71/31/94/789713194.db2.gz HWQBHXQCWCEYPO-CQSZACIVSA-N 1 2 346.479 2.251 20 30 EEEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000921581432 789797629 /nfs/dbraw/zinc/79/76/29/789797629.db2.gz NAEMJHPTUAIXCU-ZWKOTPCHSA-N 1 2 344.459 2.441 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2oc3ccccc3c2COC)C1 ZINC000923591126 789824946 /nfs/dbraw/zinc/82/49/46/789824946.db2.gz OBYKQPSNIXTNDL-CQSZACIVSA-N 1 2 326.396 2.407 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2oc3ccccc3c2COC)C1 ZINC000923591126 789824951 /nfs/dbraw/zinc/82/49/51/789824951.db2.gz OBYKQPSNIXTNDL-CQSZACIVSA-N 1 2 326.396 2.407 20 30 EEEDLO CCOC(=O)[C@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)C1CCOCC1 ZINC001171192554 789859949 /nfs/dbraw/zinc/85/99/49/789859949.db2.gz OODITCORPWUCDF-KBXCAEBGSA-N 1 2 330.428 2.437 20 30 EEEDLO C=CCC(CC=C)C(=O)NC1(CNC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001062877782 789968977 /nfs/dbraw/zinc/96/89/77/789968977.db2.gz IFERGEWKVCWXFV-UHFFFAOYSA-N 1 2 344.459 2.266 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079045535 790006915 /nfs/dbraw/zinc/00/69/15/790006915.db2.gz HNGKPDLVJADHBH-HOTGVXAUSA-N 1 2 346.475 2.394 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001060330754 790136921 /nfs/dbraw/zinc/13/69/21/790136921.db2.gz HIPDERARJDUQKM-DNVCBOLYSA-N 1 2 346.475 2.299 20 30 EEEDLO CCCCC[C@H](C)NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158144982 790201132 /nfs/dbraw/zinc/20/11/32/790201132.db2.gz HFJUOCOQCMNWLD-ZDUSSCGKSA-N 1 2 333.432 2.343 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nc(CCC)no1)C2 ZINC001147374675 791804742 /nfs/dbraw/zinc/80/47/42/791804742.db2.gz PVUXELUHCHDEDH-UHFFFAOYSA-N 1 2 344.459 2.250 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nc(CCC)no1)C2 ZINC001147374675 791804748 /nfs/dbraw/zinc/80/47/48/791804748.db2.gz PVUXELUHCHDEDH-UHFFFAOYSA-N 1 2 344.459 2.250 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC1(NC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001063896589 791900422 /nfs/dbraw/zinc/90/04/22/791900422.db2.gz QUEUFGMECMHRAB-UHFFFAOYSA-N 1 2 346.475 2.421 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N1CC2(C1)CC[N@H+](Cc1coc(C)n1)C2)OCC ZINC001147653102 791902567 /nfs/dbraw/zinc/90/25/67/791902567.db2.gz YGVLMAKTOMTIDF-QGZVFWFLSA-N 1 2 347.459 2.389 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N1CC2(C1)CC[N@@H+](Cc1coc(C)n1)C2)OCC ZINC001147653102 791902571 /nfs/dbraw/zinc/90/25/71/791902571.db2.gz YGVLMAKTOMTIDF-QGZVFWFLSA-N 1 2 347.459 2.389 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nnc(C)[nH]1)C2 ZINC001148146472 792187739 /nfs/dbraw/zinc/18/77/39/792187739.db2.gz DOIIZVPJMHSRGN-UONOGXRCSA-N 1 2 331.464 2.311 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nnc(C)[nH]1)C2 ZINC001148146472 792187745 /nfs/dbraw/zinc/18/77/45/792187745.db2.gz DOIIZVPJMHSRGN-UONOGXRCSA-N 1 2 331.464 2.311 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[C@@H]2CNc2cc[nH+]c(C)n2)c1 ZINC001064137555 792543320 /nfs/dbraw/zinc/54/33/20/792543320.db2.gz JNVJWWBGOBRYFO-WBVHZDCISA-N 1 2 335.411 2.172 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001107985420 792710953 /nfs/dbraw/zinc/71/09/53/792710953.db2.gz KKAXFMRRQCLFPH-QUCCMNQESA-N 1 2 344.455 2.118 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001107985420 792710955 /nfs/dbraw/zinc/71/09/55/792710955.db2.gz KKAXFMRRQCLFPH-QUCCMNQESA-N 1 2 344.455 2.118 20 30 EEEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H](Cc3ccccc3)OC)C2)cc1 ZINC001030776920 792770011 /nfs/dbraw/zinc/77/00/11/792770011.db2.gz GAYAZHLYADDKOU-OAQYLSRUSA-N 1 2 348.446 2.340 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](N(CCO)c2cc(C)[nH+]c(CC)n2)C1 ZINC001091838530 793309562 /nfs/dbraw/zinc/30/95/62/793309562.db2.gz QVNJYOIDKRCFCV-INIZCTEOSA-N 1 2 346.475 2.103 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)CCOCCN(C)c2cc[nH+]c(C)n2)C1 ZINC001091901514 793385883 /nfs/dbraw/zinc/38/58/83/793385883.db2.gz BEVNGEHSRDMQAW-UHFFFAOYSA-N 1 2 332.448 2.053 20 30 EEEDLO Cc1nc(N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C#CC(C)C)cc[nH+]1 ZINC001092123490 793590116 /nfs/dbraw/zinc/59/01/16/793590116.db2.gz LMMFHNKWJXJZGS-FJIDUMEYSA-N 1 2 338.455 2.118 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)C[C@H]2C)nc1 ZINC001064789857 793764984 /nfs/dbraw/zinc/76/49/84/793764984.db2.gz YVWGSEONWHZOFJ-CZUORRHYSA-N 1 2 335.411 2.267 20 30 EEEDLO Cc1nc(N2C[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@]3(C)C2)cc[nH+]1 ZINC001092285887 793801956 /nfs/dbraw/zinc/80/19/56/793801956.db2.gz YBIVBHHJBZEDBQ-BEFAXECRSA-N 1 2 326.444 2.119 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H](C)C2)n1 ZINC001064831896 793821035 /nfs/dbraw/zinc/82/10/35/793821035.db2.gz GXGXGSYQTXMAJR-ZFWWWQNUSA-N 1 2 338.415 2.019 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)c3coc(COC)n3)CCC[C@@H]12 ZINC000992368819 793838599 /nfs/dbraw/zinc/83/85/99/793838599.db2.gz WWQXWSNMXTVZKF-CJNGLKHVSA-N 1 2 339.823 2.300 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)c3coc(COC)n3)CCC[C@@H]12 ZINC000992368819 793838610 /nfs/dbraw/zinc/83/86/10/793838610.db2.gz WWQXWSNMXTVZKF-CJNGLKHVSA-N 1 2 339.823 2.300 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)CC1CC(F)(F)C1)c1nccn12 ZINC001092379565 793874111 /nfs/dbraw/zinc/87/41/11/793874111.db2.gz XHWZYAHWDSZFPK-ZDUSSCGKSA-N 1 2 336.386 2.076 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1C(C)(C)C)c1nccn12 ZINC001092381174 793875777 /nfs/dbraw/zinc/87/57/77/793875777.db2.gz RCQYRITWTFNYNF-RBSFLKMASA-N 1 2 328.460 2.323 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001092426242 793925904 /nfs/dbraw/zinc/92/59/04/793925904.db2.gz XDCNFKBRMKXIIM-OGWOLHLISA-N 1 2 346.475 2.202 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C)CC(F)(F)C1)c1nccn12 ZINC001092407743 793956206 /nfs/dbraw/zinc/95/62/06/793956206.db2.gz RTHULBKZDRVOAE-GFCCVEGCSA-N 1 2 336.386 2.076 20 30 EEEDLO C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1C#N)n1cc[nH+]c1 ZINC001032656827 793957944 /nfs/dbraw/zinc/95/79/44/793957944.db2.gz NTFRAWHCMWOELA-SNRMKQJTSA-N 1 2 349.438 2.191 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H](CNc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001109971402 806300096 /nfs/dbraw/zinc/30/00/96/806300096.db2.gz VNRIAVXYYTVMBX-KDOFPFPSSA-N 1 2 346.479 2.155 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001092851896 794415500 /nfs/dbraw/zinc/41/55/00/794415500.db2.gz BLSUGNDNQRFGNA-VZEFYGNVSA-N 1 2 344.459 2.164 20 30 EEEDLO C[C@@H](CC(=O)N[C@@H](CNc1ccc(C#N)cn1)C1CC1)n1cc[nH+]c1 ZINC001109991288 806342351 /nfs/dbraw/zinc/34/23/51/806342351.db2.gz FUEICIPXGIZUEN-BBRMVZONSA-N 1 2 338.415 2.108 20 30 EEEDLO CC1(C)CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083706587 794729138 /nfs/dbraw/zinc/72/91/38/794729138.db2.gz FQMMJTMCRONSAF-XHSDSOJGSA-N 1 2 347.484 2.107 20 30 EEEDLO CC1(C)CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083706587 794729146 /nfs/dbraw/zinc/72/91/46/794729146.db2.gz FQMMJTMCRONSAF-XHSDSOJGSA-N 1 2 347.484 2.107 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2c(F)cccc2F)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588815 794974139 /nfs/dbraw/zinc/97/41/39/794974139.db2.gz NNSBQFYZYPZKRB-PIGZYNQJSA-N 1 2 344.365 2.415 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2c(F)cccc2F)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588815 794974147 /nfs/dbraw/zinc/97/41/47/794974147.db2.gz NNSBQFYZYPZKRB-PIGZYNQJSA-N 1 2 344.365 2.415 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079855029 795283963 /nfs/dbraw/zinc/28/39/63/795283963.db2.gz LIWLUEUVFJQVNM-GJZGRUSLSA-N 1 2 346.475 2.250 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079855029 795283966 /nfs/dbraw/zinc/28/39/66/795283966.db2.gz LIWLUEUVFJQVNM-GJZGRUSLSA-N 1 2 346.475 2.250 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001093513438 795299643 /nfs/dbraw/zinc/29/96/43/795299643.db2.gz CBOQRVZFUSOYKM-CYBMUJFWSA-N 1 2 332.448 2.173 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cc(C(C)(C)C)on3)CC2)C1 ZINC001093554048 795331930 /nfs/dbraw/zinc/33/19/30/795331930.db2.gz NAGVSVKPBDFLPA-UHFFFAOYSA-N 1 2 347.459 2.464 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3c[nH]nc3CCC)CC2)C1 ZINC001093549353 795366456 /nfs/dbraw/zinc/36/64/56/795366456.db2.gz PDYSIJWDANLDQS-UHFFFAOYSA-N 1 2 346.475 2.244 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cc(C(C)C)nn3C)CC2)C1 ZINC001093589200 795401946 /nfs/dbraw/zinc/40/19/46/795401946.db2.gz QLWCFWSTFAXWKL-UHFFFAOYSA-N 1 2 346.475 2.035 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3ncoc3C3CC3)CC2)C1 ZINC001093590194 795403554 /nfs/dbraw/zinc/40/35/54/795403554.db2.gz HVNLLRSMHXNVMC-UHFFFAOYSA-N 1 2 345.443 2.434 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@H](C)n3ccc(C)n3)CC2)C1 ZINC001093559290 795415464 /nfs/dbraw/zinc/41/54/64/795415464.db2.gz NABRXDWAGIEQGC-INIZCTEOSA-N 1 2 346.475 2.020 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)C[C@@H]3CCCO3)CC2)C1 ZINC001093600104 795441512 /nfs/dbraw/zinc/44/15/12/795441512.db2.gz OGZQSDARXXZAHP-WBVHZDCISA-N 1 2 336.476 2.069 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CN(C)c3ccccc3)CC2)C1 ZINC001093600510 795442891 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EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001108267393 802776523 /nfs/dbraw/zinc/77/65/23/802776523.db2.gz AWWXTZXIGZUEDE-NSHGMRRFSA-N 1 2 344.455 2.192 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001066504044 802813608 /nfs/dbraw/zinc/81/36/08/802813608.db2.gz ORUSWGHNRUUVNQ-KSSFIOAISA-N 1 2 332.448 2.052 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001108272761 802929757 /nfs/dbraw/zinc/92/97/57/802929757.db2.gz PIHHMIXOGHSPPO-NSHGMRRFSA-N 1 2 328.456 2.492 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001108272761 802929762 /nfs/dbraw/zinc/92/97/62/802929762.db2.gz PIHHMIXOGHSPPO-NSHGMRRFSA-N 1 2 328.456 2.492 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](c2cccnc2)C(C)C)C1 ZINC001108302014 803257932 /nfs/dbraw/zinc/25/79/32/803257932.db2.gz BWVPAXOOVAPTCA-QUCCMNQESA-N 1 2 343.471 2.052 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](c2cccnc2)C(C)C)C1 ZINC001108302014 803257935 /nfs/dbraw/zinc/25/79/35/803257935.db2.gz BWVPAXOOVAPTCA-QUCCMNQESA-N 1 2 343.471 2.052 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccccc2OC(C)C)C1 ZINC001108356383 803362263 /nfs/dbraw/zinc/36/22/63/803362263.db2.gz CHRCCLZGFAAYQI-HXUWFJFHSA-N 1 2 344.455 2.318 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccccc2OC(C)C)C1 ZINC001108356383 803362269 /nfs/dbraw/zinc/36/22/69/803362269.db2.gz CHRCCLZGFAAYQI-HXUWFJFHSA-N 1 2 344.455 2.318 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001108373167 803387960 /nfs/dbraw/zinc/38/79/60/803387960.db2.gz PJYNOMVYJAFGQZ-WMZOPIPTSA-N 1 2 334.847 2.373 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001108373167 803387963 /nfs/dbraw/zinc/38/79/63/803387963.db2.gz PJYNOMVYJAFGQZ-WMZOPIPTSA-N 1 2 334.847 2.373 20 30 EEEDLO C[C@@H](CNc1ncc(C#N)cc1F)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001108778047 804498380 /nfs/dbraw/zinc/49/83/80/804498380.db2.gz UPGOPOANLSDYQM-JTQLQIEISA-N 1 2 338.346 2.199 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001108922944 804679094 /nfs/dbraw/zinc/67/90/94/804679094.db2.gz FOXZUXLCQWJLLC-RDTXWAMCSA-N 1 2 334.464 2.176 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)n1 ZINC001109072472 804908573 /nfs/dbraw/zinc/90/85/73/804908573.db2.gz GNHYKPQNPBBNAT-ILXRZTDVSA-N 1 2 335.835 2.159 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)n1 ZINC001109072472 804908580 /nfs/dbraw/zinc/90/85/80/804908580.db2.gz GNHYKPQNPBBNAT-ILXRZTDVSA-N 1 2 335.835 2.159 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)CN(C)c3ccncc3C#N)ccn12 ZINC001109099967 804938979 /nfs/dbraw/zinc/93/89/79/804938979.db2.gz CGVBWXNSKDYOMV-CYBMUJFWSA-N 1 2 348.410 2.164 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)(C)C ZINC001109171141 805065344 /nfs/dbraw/zinc/06/53/44/805065344.db2.gz FUHKTUCFGJRKSL-IKGGRYGDSA-N 1 2 347.503 2.064 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)(C)C ZINC001109171141 805065354 /nfs/dbraw/zinc/06/53/54/805065354.db2.gz FUHKTUCFGJRKSL-IKGGRYGDSA-N 1 2 347.503 2.064 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncoc1C(C)C ZINC001109270614 805218757 /nfs/dbraw/zinc/21/87/57/805218757.db2.gz OTDFSECYMCMTPG-VYDXJSESSA-N 1 2 345.443 2.059 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncoc1C(C)C ZINC001109270614 805218762 /nfs/dbraw/zinc/21/87/62/805218762.db2.gz OTDFSECYMCMTPG-VYDXJSESSA-N 1 2 345.443 2.059 20 30 EEEDLO C=CCCOCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C)s1 ZINC001157210183 807057739 /nfs/dbraw/zinc/05/77/39/807057739.db2.gz ZBKQWRLAKTVXSP-CYBMUJFWSA-N 1 2 325.478 2.371 20 30 EEEDLO C=CCCOCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C)s1 ZINC001157210183 807057743 /nfs/dbraw/zinc/05/77/43/807057743.db2.gz ZBKQWRLAKTVXSP-CYBMUJFWSA-N 1 2 325.478 2.371 20 30 EEEDLO Cc1nc(N(C)C[C@@H]2CCCN2C(=O)C#CC(C)C)c(C)c(C)[nH+]1 ZINC001112789176 807248674 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C=CC[C@@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccncc1 ZINC000789027228 807815634 /nfs/dbraw/zinc/81/56/34/807815634.db2.gz OVBSPGCYGZQFQQ-DOTOQJQBSA-N 1 2 332.448 2.061 20 30 EEEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]NCCc1ccncc1 ZINC000789098390 807844939 /nfs/dbraw/zinc/84/49/39/807844939.db2.gz XOEHBRXKALESEG-UHFFFAOYSA-N 1 2 346.394 2.045 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001113253538 808573129 /nfs/dbraw/zinc/57/31/29/808573129.db2.gz LZNCGTKBNZOVLM-VXGBXAGGSA-N 1 2 330.436 2.271 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)nc2C2CC2)[C@H](O)C1 ZINC001090457885 809451773 /nfs/dbraw/zinc/45/17/73/809451773.db2.gz FCAMDUFABBVMSX-JKSUJKDBSA-N 1 2 349.862 2.185 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)nc2C2CC2)[C@H](O)C1 ZINC001090457885 809451777 /nfs/dbraw/zinc/45/17/77/809451777.db2.gz FCAMDUFABBVMSX-JKSUJKDBSA-N 1 2 349.862 2.185 20 30 EEEDLO C=CCCOCC(=O)N1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC001113709176 809612137 /nfs/dbraw/zinc/61/21/37/809612137.db2.gz KPWOARXHOFQWER-UHFFFAOYSA-N 1 2 332.444 2.241 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NC[C@H](C)N(C)c3ccncc3C#N)ccn12 ZINC001113720266 809641212 /nfs/dbraw/zinc/64/12/12/809641212.db2.gz ONBQBFCVUANJHP-ZDUSSCGKSA-N 1 2 348.410 2.164 20 30 EEEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccc(S(N)(=O)=O)cc1 ZINC000792630498 809886669 /nfs/dbraw/zinc/88/66/69/809886669.db2.gz BKLDGAXULGRTCC-UHFFFAOYSA-N 1 2 344.440 2.138 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)OCC(C)C ZINC001113965512 810124880 /nfs/dbraw/zinc/12/48/80/810124880.db2.gz OJBCRDMVHDQCET-IGQOVBAYSA-N 1 2 345.281 2.003 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)OCC(C)C ZINC001113965512 810124883 /nfs/dbraw/zinc/12/48/83/810124883.db2.gz OJBCRDMVHDQCET-IGQOVBAYSA-N 1 2 345.281 2.003 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC[C@H]1C ZINC001114026493 810210967 /nfs/dbraw/zinc/21/09/67/810210967.db2.gz CXMNJWCYACJHOQ-CJNGLKHVSA-N 1 2 344.459 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C=CCOc1ccc(C(=O)NCC[NH2+][C@@H](C)c2nc(C)no2)cc1 ZINC001130371072 811521453 /nfs/dbraw/zinc/52/14/53/811521453.db2.gz ATGUGBVSHONJMC-LBPRGKRZSA-N 1 2 330.388 2.023 20 30 EEEDLO C=CCOc1ccccc1C(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001130375548 811530164 /nfs/dbraw/zinc/53/01/64/811530164.db2.gz IKBUOGCEYGVNDY-ZDUSSCGKSA-N 1 2 344.415 2.277 20 30 EEEDLO CCCCCC[C@@H](C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131089510 812383698 /nfs/dbraw/zinc/38/36/98/812383698.db2.gz KSMRJMLEHGPFLQ-BRWVUGGUSA-N 1 2 345.491 2.434 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(C)(C)CC(C)(C)C)C[C@H]1NCC#N ZINC001131125558 812412226 /nfs/dbraw/zinc/41/22/26/812412226.db2.gz GVYUTOPIRUZTAC-HUUCEWRRSA-N 1 2 345.491 2.290 20 30 EEEDLO C#CCCS(=O)(=O)N(Cc1ccc(OC)cc1)c1cc[nH+]cc1 ZINC000808303902 812580954 /nfs/dbraw/zinc/58/09/54/812580954.db2.gz FKWBIOBTPWEBNH-UHFFFAOYSA-N 1 2 330.409 2.450 20 30 EEEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C2(CC(C)C)CCC2)CC1 ZINC001131369513 812729345 /nfs/dbraw/zinc/72/93/45/812729345.db2.gz KTMNGWKLGHHVTF-UHFFFAOYSA-N 1 2 349.519 2.429 20 30 EEEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C2(CC(C)C)CCC2)CC1 ZINC001131369513 812729352 /nfs/dbraw/zinc/72/93/52/812729352.db2.gz KTMNGWKLGHHVTF-UHFFFAOYSA-N 1 2 349.519 2.429 20 30 EEEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ncc(C#N)cc2Cl)C1 ZINC001445632829 1091423921 /nfs/dbraw/zinc/42/39/21/1091423921.db2.gz UWHFSVYDYNLILH-GFCCVEGCSA-N 1 2 343.818 2.435 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1c(CC)nn(C)c1CC ZINC001439330745 1092017867 /nfs/dbraw/zinc/01/78/67/1092017867.db2.gz DVNVYUSODKZERH-ZDUSSCGKSA-N 1 2 340.899 2.276 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1c(CC)nn(C)c1CC ZINC001439330745 1092017879 /nfs/dbraw/zinc/01/78/79/1092017879.db2.gz DVNVYUSODKZERH-ZDUSSCGKSA-N 1 2 340.899 2.276 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)c2cn(CC)nn2)CC1 ZINC001441170835 1094525000 /nfs/dbraw/zinc/52/50/00/1094525000.db2.gz YWLPNMDJMAMJGC-UHFFFAOYSA-N 1 2 339.871 2.367 20 30 EEEDLO C[N@H+](CCNC(=O)[C@@H]1COc2ccccc21)Cc1ccccc1C#N ZINC001442618222 1096987607 /nfs/dbraw/zinc/98/76/07/1096987607.db2.gz DELLWOOTMQCALA-GOSISDBHSA-N 1 2 335.407 2.282 20 30 EEEDLO C[N@@H+](CCNC(=O)[C@@H]1COc2ccccc21)Cc1ccccc1C#N ZINC001442618222 1096987612 /nfs/dbraw/zinc/98/76/12/1096987612.db2.gz DELLWOOTMQCALA-GOSISDBHSA-N 1 2 335.407 2.282 20 30 EEEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)c1ccsn1 ZINC001444995460 1100130320 /nfs/dbraw/zinc/13/03/20/1100130320.db2.gz UEQQVGSCBZSGKN-UHFFFAOYSA-N 1 2 332.404 2.358 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)c1ccsn1 ZINC001444995460 1100130322 /nfs/dbraw/zinc/13/03/22/1100130322.db2.gz UEQQVGSCBZSGKN-UHFFFAOYSA-N 1 2 332.404 2.358 20 30 EEEDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(CNC(=O)[C@@H](C)C#N)cc2)o1 ZINC001495485031 1101196068 /nfs/dbraw/zinc/19/60/68/1101196068.db2.gz GQVSVFSEVBNHLD-RYUDHWBXSA-N 1 2 327.388 2.005 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](O)(CNC(=O)CC(CC)CC)C1 ZINC001446804792 1101451951 /nfs/dbraw/zinc/45/19/51/1101451951.db2.gz JPJILQITCJEUPG-OAHLLOKOSA-N 1 2 347.297 2.274 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](O)(CNC(=O)CC(CC)CC)C1 ZINC001446804792 1101451958 /nfs/dbraw/zinc/45/19/58/1101451958.db2.gz JPJILQITCJEUPG-OAHLLOKOSA-N 1 2 347.297 2.274 20 30 EEEDLO CCOc1cccc(Cl)c1C[NH+]1CC(CNC(=O)[C@H](C)C#N)C1 ZINC001494536367 1104127093 /nfs/dbraw/zinc/12/70/93/1104127093.db2.gz BCOLJMWWZUZNOM-GFCCVEGCSA-N 1 2 335.835 2.446 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1conc1C(F)(F)F ZINC001498336322 1107320792 /nfs/dbraw/zinc/32/07/92/1107320792.db2.gz DMRCFOYJHRPJSL-MRVPVSSYSA-N 1 2 325.718 2.496 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1conc1C(F)(F)F ZINC001498336322 1107320807 /nfs/dbraw/zinc/32/08/07/1107320807.db2.gz DMRCFOYJHRPJSL-MRVPVSSYSA-N 1 2 325.718 2.496 20 30 EEEDLO Cc1ccncc1CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001499000012 1108436594 /nfs/dbraw/zinc/43/65/94/1108436594.db2.gz YTQHEKUOCMOSLC-OAHLLOKOSA-N 1 2 340.452 2.256 20 30 EEEDLO Cc1ccncc1CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001499000012 1108436607 /nfs/dbraw/zinc/43/66/07/1108436607.db2.gz YTQHEKUOCMOSLC-OAHLLOKOSA-N 1 2 340.452 2.256 20 30 EEEDLO CC[C@H](C)[C@H]([NH2+]CCC(=O)N(C)CCC#N)C(=O)OC(C)(C)C ZINC001459823288 1110248735 /nfs/dbraw/zinc/24/87/35/1110248735.db2.gz AZXRSEFUHFCFLS-ZFWWWQNUSA-N 1 2 325.453 2.095 20 30 EEEDLO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554477 219136105 /nfs/dbraw/zinc/13/61/05/219136105.db2.gz YVSLNMZGEYIBCN-JKSUJKDBSA-N 1 2 328.460 2.374 20 30 EEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000177998713 232054699 /nfs/dbraw/zinc/05/46/99/232054699.db2.gz XVWMXBHZIGLXAZ-CYBMUJFWSA-N 1 2 339.848 2.070 20 30 EEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000177998713 232054701 /nfs/dbraw/zinc/05/47/01/232054701.db2.gz XVWMXBHZIGLXAZ-CYBMUJFWSA-N 1 2 339.848 2.070 20 30 EEEDLO N#CC1(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CCOCC1 ZINC000109140334 237128446 /nfs/dbraw/zinc/12/84/46/237128446.db2.gz NUGDWEOCIPEMPR-UHFFFAOYSA-N 1 2 342.443 2.399 20 30 EEEDLO COc1cc(C[NH+]2CCN(C(=O)CCCC#N)CC2)cc(OC)c1 ZINC000292180927 238184461 /nfs/dbraw/zinc/18/44/61/238184461.db2.gz QFEYQXSQJGCMEW-UHFFFAOYSA-N 1 2 331.416 2.042 20 30 EEEDLO Cc1ccc(N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)nc1C#N ZINC000418944535 239380750 /nfs/dbraw/zinc/38/07/50/239380750.db2.gz KFXINMIQHUFWSM-GOSISDBHSA-N 1 2 330.432 2.162 20 30 EEEDLO N#Cc1cc(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc1F ZINC000446694750 242213365 /nfs/dbraw/zinc/21/33/65/242213365.db2.gz VFXPFGGHBYFKKL-UHFFFAOYSA-N 1 2 349.325 2.460 20 30 EEEDLO CC(=O)N[C@H](C)C1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459413086 245111179 /nfs/dbraw/zinc/11/11/79/245111179.db2.gz SOMZFNRRBUQUBB-GFCCVEGCSA-N 1 2 330.388 2.203 20 30 EEEDLO Cc1nsc(NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1C#N ZINC000459561840 245167418 /nfs/dbraw/zinc/16/74/18/245167418.db2.gz NINDPDUCZJRNDQ-LBPRGKRZSA-N 1 2 329.385 2.403 20 30 EEEDLO C=CCN(CC=C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000078321616 217041080 /nfs/dbraw/zinc/04/10/80/217041080.db2.gz AIZZKXLWQBSIDM-UHFFFAOYSA-N 1 2 329.444 2.402 20 30 EEEDLO CC#CCCNC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000483430975 245499600 /nfs/dbraw/zinc/49/96/00/245499600.db2.gz ZHPZDYCDVKLFON-UHFFFAOYSA-N 1 2 349.862 2.459 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc(C)c(O)c(C)c2)n1 ZINC000491450421 246034063 /nfs/dbraw/zinc/03/40/63/246034063.db2.gz AEBBLMDESXVTEE-UHFFFAOYSA-N 1 2 327.428 2.487 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc(C)c(O)c(C)c2)n1 ZINC000491450421 246034069 /nfs/dbraw/zinc/03/40/69/246034069.db2.gz AEBBLMDESXVTEE-UHFFFAOYSA-N 1 2 327.428 2.487 20 30 EEEDLO C#C[C@@H](CC)NC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000491760597 246140798 /nfs/dbraw/zinc/14/07/98/246140798.db2.gz RRPUIWCXGPXXDX-ROUUACIJSA-N 1 2 329.444 2.079 20 30 EEEDLO Cc1nc(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)ccc1C#N ZINC000264215020 246194789 /nfs/dbraw/zinc/19/47/89/246194789.db2.gz VDNFEQOCVZRQLN-UHFFFAOYSA-N 1 2 337.305 2.293 20 30 EEEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000271081906 256206054 /nfs/dbraw/zinc/20/60/54/256206054.db2.gz YPJYBZWOYAJBOP-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO CCc1cccnc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000270888979 256183753 /nfs/dbraw/zinc/18/37/53/256183753.db2.gz HBXUWFSOSWRZQH-UHFFFAOYSA-N 1 2 334.423 2.474 20 30 EEEDLO C#C[C@H](CCC)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000491544092 533311114 /nfs/dbraw/zinc/31/11/14/533311114.db2.gz KFIVOPCLYWENPP-HLLBOEOZSA-N 1 2 344.459 2.296 20 30 EEEDLO C#C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccc(F)cc1 ZINC000491554013 533324796 /nfs/dbraw/zinc/32/47/96/533324796.db2.gz FQPUCHVUGXTBAN-WBAXXEDZSA-N 1 2 345.418 2.005 20 30 EEEDLO N#Cc1ccc(NC(=O)C[NH2+][C@@H](CO)c2c(F)cccc2F)cc1 ZINC000359518439 153411269 /nfs/dbraw/zinc/41/12/69/153411269.db2.gz BWJTZQGANAOCKQ-HNNXBMFYSA-N 1 2 331.322 2.098 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(F)(c3cccnc3)CC2)cc1 ZINC000342131580 161042041 /nfs/dbraw/zinc/04/20/41/161042041.db2.gz NRYTWWSWBPRJKY-QGZVFWFLSA-N 1 2 338.386 2.440 20 30 EEEDLO N#Cc1ccncc1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000342872061 161097098 /nfs/dbraw/zinc/09/70/98/161097098.db2.gz ACQVQWIWHQJINJ-UHFFFAOYSA-N 1 2 331.379 2.322 20 30 EEEDLO Cn1c(C[N@H+](C)CCOCc2ccc(C#N)cc2)nnc1C1CC1 ZINC000344125144 161200378 /nfs/dbraw/zinc/20/03/78/161200378.db2.gz RDUCSDMQCSKXMT-UHFFFAOYSA-N 1 2 325.416 2.213 20 30 EEEDLO Cn1c(C[N@@H+](C)CCOCc2ccc(C#N)cc2)nnc1C1CC1 ZINC000344125144 161200379 /nfs/dbraw/zinc/20/03/79/161200379.db2.gz RDUCSDMQCSKXMT-UHFFFAOYSA-N 1 2 325.416 2.213 20 30 EEEDLO N#Cc1cccc(F)c1CC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000352429014 162133058 /nfs/dbraw/zinc/13/30/58/162133058.db2.gz VNYHPGXTWQCVJU-UHFFFAOYSA-N 1 2 340.280 2.315 20 30 EEEDLO CC[C@H](C(=O)Nc1cc(C#N)ccc1NC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000355643465 163257236 /nfs/dbraw/zinc/25/72/36/163257236.db2.gz MFBXHHGYNFFYRH-WMLDXEAASA-N 1 2 330.432 2.428 20 30 EEEDLO CC[C@H](C(=O)Nc1cc(C#N)ccc1NC)[N@H+]1CCO[C@@H](CC)C1 ZINC000355643465 163257238 /nfs/dbraw/zinc/25/72/38/163257238.db2.gz MFBXHHGYNFFYRH-WMLDXEAASA-N 1 2 330.432 2.428 20 30 EEEDLO Cc1cnn([C@H]2CC[N@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)c1 ZINC000368080648 166047734 /nfs/dbraw/zinc/04/77/34/166047734.db2.gz GJMXSZSWBOQLMH-AWEZNQCLSA-N 1 2 327.388 2.159 20 30 EEEDLO Cc1cnn([C@H]2CC[N@@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)c1 ZINC000368080648 166047735 /nfs/dbraw/zinc/04/77/35/166047735.db2.gz GJMXSZSWBOQLMH-AWEZNQCLSA-N 1 2 327.388 2.159 20 30 EEEDLO C[C@@H]1COc2ccccc2C[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000374678457 167045315 /nfs/dbraw/zinc/04/53/15/167045315.db2.gz LABPJSDQDXBEMQ-OAHLLOKOSA-N 1 2 335.407 2.458 20 30 EEEDLO C[C@@H]1COc2ccccc2C[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000374678457 167045317 /nfs/dbraw/zinc/04/53/17/167045317.db2.gz LABPJSDQDXBEMQ-OAHLLOKOSA-N 1 2 335.407 2.458 20 30 EEEDLO N#Cc1ccc(OC2CCC(NC(=O)/C=C/c3[nH]cc[nH+]3)CC2)nc1 ZINC000493149976 270021391 /nfs/dbraw/zinc/02/13/91/270021391.db2.gz KOXZWPISUOBRKU-VOTSOKGWSA-N 1 2 337.383 2.196 20 30 EEEDLO CC(C)[C@H](C(=O)Nc1n[nH]c(C2CC2)c1C#N)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000290371521 265899391 /nfs/dbraw/zinc/89/93/91/265899391.db2.gz GZQGGVSSIHTVPV-XHBSWPGZSA-N 1 2 345.447 2.231 20 30 EEEDLO CCOC(=O)C1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000441176923 267115047 /nfs/dbraw/zinc/11/50/47/267115047.db2.gz AHKFLKYSWUFDCK-UHFFFAOYSA-N 1 2 340.383 2.383 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000279847265 269310576 /nfs/dbraw/zinc/31/05/76/269310576.db2.gz RWVHUOQXZLIVEZ-DEXNDLTESA-N 1 2 343.427 2.154 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000279847265 269310577 /nfs/dbraw/zinc/31/05/77/269310577.db2.gz RWVHUOQXZLIVEZ-DEXNDLTESA-N 1 2 343.427 2.154 20 30 EEEDLO N#Cc1ccc(CNC(=O)C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC000563758323 319041717 /nfs/dbraw/zinc/04/17/17/319041717.db2.gz KHJNWOAZSBARKO-UHFFFAOYSA-N 1 2 347.418 2.427 20 30 EEEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC000563758323 319041719 /nfs/dbraw/zinc/04/17/19/319041719.db2.gz KHJNWOAZSBARKO-UHFFFAOYSA-N 1 2 347.418 2.427 20 30 EEEDLO C[C@@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1[nH]cc[nH+]1 ZINC000566470723 319292276 /nfs/dbraw/zinc/29/22/76/319292276.db2.gz PEQQPPKZFKDHEC-DGCLKSJQSA-N 1 2 327.363 2.124 20 30 EEEDLO C#CCO[C@H](C)c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000295977631 465039561 /nfs/dbraw/zinc/03/95/61/465039561.db2.gz QUVQXOUMOHIJRD-GDBMZVCRSA-N 1 2 327.384 2.354 20 30 EEEDLO C#CCO[C@H](C)c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000295977631 465039563 /nfs/dbraw/zinc/03/95/63/465039563.db2.gz QUVQXOUMOHIJRD-GDBMZVCRSA-N 1 2 327.384 2.354 20 30 EEEDLO CC[C@H](C(=O)N(CCC#N)Cc1ccccn1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339269178 465178573 /nfs/dbraw/zinc/17/85/73/465178573.db2.gz CEXUWMMOWBRMOM-ZWKOTPCHSA-N 1 2 344.459 2.213 20 30 EEEDLO CC[C@H](C(=O)N(CCC#N)Cc1ccccn1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339269178 465178576 /nfs/dbraw/zinc/17/85/76/465178576.db2.gz CEXUWMMOWBRMOM-ZWKOTPCHSA-N 1 2 344.459 2.213 20 30 EEEDLO C[C@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000351608540 465249498 /nfs/dbraw/zinc/24/94/98/465249498.db2.gz NRXNBGDMAUQZTM-CYBMUJFWSA-N 1 2 341.864 2.339 20 30 EEEDLO CC[C@@H](C)[N@H+](CC(=O)OC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000337248650 465266946 /nfs/dbraw/zinc/26/69/46/465266946.db2.gz PRQJOGNFUSIOPK-PBHICJAKSA-N 1 2 343.427 2.327 20 30 EEEDLO CC[C@@H](C)[N@@H+](CC(=O)OC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000337248650 465266951 /nfs/dbraw/zinc/26/69/51/465266951.db2.gz PRQJOGNFUSIOPK-PBHICJAKSA-N 1 2 343.427 2.327 20 30 EEEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NCC(=O)OC ZINC000297950707 465275436 /nfs/dbraw/zinc/27/54/36/465275436.db2.gz SXCNXMOLUHDXQJ-SNVBAGLBSA-N 1 2 330.837 2.067 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NCC(=O)OC ZINC000297950707 465275437 /nfs/dbraw/zinc/27/54/37/465275437.db2.gz SXCNXMOLUHDXQJ-SNVBAGLBSA-N 1 2 330.837 2.067 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000342022254 465286956 /nfs/dbraw/zinc/28/69/56/465286956.db2.gz RJTGEAZSUWFOSJ-UHFFFAOYSA-N 1 2 341.455 2.087 20 30 EEEDLO Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(C)c1 ZINC000060481848 462552493 /nfs/dbraw/zinc/55/24/93/462552493.db2.gz JQDJLAAOVGQQKV-UHFFFAOYSA-N 1 2 349.438 2.331 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1cn[nH]c1 ZINC000085825294 462561852 /nfs/dbraw/zinc/56/18/52/462561852.db2.gz UPIADWLIAWUWKQ-JTQLQIEISA-N 1 2 329.429 2.291 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1cn[nH]c1 ZINC000085825294 462561856 /nfs/dbraw/zinc/56/18/56/462561856.db2.gz UPIADWLIAWUWKQ-JTQLQIEISA-N 1 2 329.429 2.291 20 30 EEEDLO COCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccco1 ZINC000046601077 462691445 /nfs/dbraw/zinc/69/14/45/462691445.db2.gz RNKMEVPDCJXHJQ-UHFFFAOYSA-N 1 2 333.432 2.413 20 30 EEEDLO COCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccco1 ZINC000046601077 462691448 /nfs/dbraw/zinc/69/14/48/462691448.db2.gz RNKMEVPDCJXHJQ-UHFFFAOYSA-N 1 2 333.432 2.413 20 30 EEEDLO Cn1ncc2c1nc[nH+]c2SCC(=O)Nc1ccc(CC#N)cc1 ZINC000011684244 462836394 /nfs/dbraw/zinc/83/63/94/462836394.db2.gz SRDIANJVFGIURL-UHFFFAOYSA-N 1 2 338.396 2.160 20 30 EEEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000066178865 462860919 /nfs/dbraw/zinc/86/09/19/462860919.db2.gz PJTKFEMAXFGHQJ-MRXNPFEDSA-N 1 2 344.459 2.199 20 30 EEEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)N3CCCCC3)CC2)c1 ZINC000076429231 462861075 /nfs/dbraw/zinc/86/10/75/462861075.db2.gz GNPZJBNONBZMTP-UHFFFAOYSA-N 1 2 342.443 2.161 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CCc3c([nH+]c(C)n3CCO)C2)CCCC1 ZINC000521884993 468339061 /nfs/dbraw/zinc/33/90/61/468339061.db2.gz IXWAAJIULFZZSK-OAHLLOKOSA-N 1 2 331.460 2.294 20 30 EEEDLO CC[N@@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C[C@@H](C)C#N ZINC000157635833 463151943 /nfs/dbraw/zinc/15/19/43/463151943.db2.gz WAMJOCFWRWCXMG-HNNXBMFYSA-N 1 2 348.878 2.470 20 30 EEEDLO CC[N@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C[C@@H](C)C#N ZINC000157635833 463151945 /nfs/dbraw/zinc/15/19/45/463151945.db2.gz WAMJOCFWRWCXMG-HNNXBMFYSA-N 1 2 348.878 2.470 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cnn(C)c2)c1 ZINC000027214322 463184457 /nfs/dbraw/zinc/18/44/57/463184457.db2.gz JUZFYGSIGYABCT-UHFFFAOYSA-N 1 2 339.443 2.416 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)Cc2cnn(C)c2)c1 ZINC000027214322 463184463 /nfs/dbraw/zinc/18/44/63/463184463.db2.gz JUZFYGSIGYABCT-UHFFFAOYSA-N 1 2 339.443 2.416 20 30 EEEDLO Cc1cccc(N2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000027383877 463190125 /nfs/dbraw/zinc/19/01/25/463190125.db2.gz DFVRBOYIGKWVPA-IBGZPJMESA-N 1 2 328.460 2.172 20 30 EEEDLO CC(C)N(C(=O)[C@@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1)C(C)C ZINC000029447699 463257108 /nfs/dbraw/zinc/25/71/08/463257108.db2.gz PHKALQCBDHRYQC-MRXNPFEDSA-N 1 2 343.475 2.109 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161174160 463406548 /nfs/dbraw/zinc/40/65/48/463406548.db2.gz OQNICYNTMVRIRM-MRXNPFEDSA-N 1 2 349.438 2.098 20 30 EEEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000124637218 463445697 /nfs/dbraw/zinc/44/56/97/463445697.db2.gz VPWMKSZZBHUUKA-MRXNPFEDSA-N 1 2 347.890 2.224 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000071909015 463467418 /nfs/dbraw/zinc/46/74/18/463467418.db2.gz JIGDDVZZPLEKIX-OALUTQOASA-N 1 2 340.471 2.348 20 30 EEEDLO Cn1cccc1[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000162473071 463513401 /nfs/dbraw/zinc/51/34/01/463513401.db2.gz AGIGJNXXUZVYNI-GOSISDBHSA-N 1 2 338.411 2.299 20 30 EEEDLO Cn1cccc1[C@H]1COCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000162473071 463513404 /nfs/dbraw/zinc/51/34/04/463513404.db2.gz AGIGJNXXUZVYNI-GOSISDBHSA-N 1 2 338.411 2.299 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000165783129 463648295 /nfs/dbraw/zinc/64/82/95/463648295.db2.gz GUMBQRAYTXWYDU-OAHLLOKOSA-N 1 2 348.878 2.218 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000165783129 463648300 /nfs/dbraw/zinc/64/83/00/463648300.db2.gz GUMBQRAYTXWYDU-OAHLLOKOSA-N 1 2 348.878 2.218 20 30 EEEDLO C=C[C@@H](CC(=O)N1CCC[N@@H+](CC(=O)NCC)CC1)c1ccccc1 ZINC000152426439 463688321 /nfs/dbraw/zinc/68/83/21/463688321.db2.gz WXJRIEQGBUBABI-KRWDZBQOSA-N 1 2 343.471 2.017 20 30 EEEDLO C=C[C@@H](CC(=O)N1CCC[N@H+](CC(=O)NCC)CC1)c1ccccc1 ZINC000152426439 463688325 /nfs/dbraw/zinc/68/83/25/463688325.db2.gz WXJRIEQGBUBABI-KRWDZBQOSA-N 1 2 343.471 2.017 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N([C@H](C)C2CC2)C2CC2)cs1 ZINC000177476596 463715194 /nfs/dbraw/zinc/71/51/94/463715194.db2.gz DFJJOMUQABFDNP-SNVBAGLBSA-N 1 2 336.461 2.072 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185165738 463766785 /nfs/dbraw/zinc/76/67/85/463766785.db2.gz PQQZRAMXWPDUPR-SJKOYZFVSA-N 1 2 349.818 2.030 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185165738 463766789 /nfs/dbraw/zinc/76/67/89/463766789.db2.gz PQQZRAMXWPDUPR-SJKOYZFVSA-N 1 2 349.818 2.030 20 30 EEEDLO CC1(C)C[N@H+](CCNC(=O)Nc2ccc(C#N)cc2Cl)CCO1 ZINC000269088093 463871065 /nfs/dbraw/zinc/87/10/65/463871065.db2.gz BIHMHHXQMVAZMK-UHFFFAOYSA-N 1 2 336.823 2.444 20 30 EEEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2ccc(C#N)cc2Cl)CCO1 ZINC000269088093 463871070 /nfs/dbraw/zinc/87/10/70/463871070.db2.gz BIHMHHXQMVAZMK-UHFFFAOYSA-N 1 2 336.823 2.444 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000186096611 463936014 /nfs/dbraw/zinc/93/60/14/463936014.db2.gz NLFVXJXLOLAHID-SFHVURJKSA-N 1 2 329.444 2.082 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000186096611 463936018 /nfs/dbraw/zinc/93/60/18/463936018.db2.gz NLFVXJXLOLAHID-SFHVURJKSA-N 1 2 329.444 2.082 20 30 EEEDLO C#CCN(CC#C)C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000194887965 463950637 /nfs/dbraw/zinc/95/06/37/463950637.db2.gz DCBNTKWQSDZPRW-UHFFFAOYSA-N 1 2 347.374 2.216 20 30 EEEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000195050357 463983354 /nfs/dbraw/zinc/98/33/54/463983354.db2.gz RCEULNJFJKTNOL-UHFFFAOYSA-N 1 2 339.395 2.286 20 30 EEEDLO NC(=[NH+]OCc1cccc(C(=O)NCc2ccco2)c1)[C@H]1CCCO1 ZINC000283841017 464027704 /nfs/dbraw/zinc/02/77/04/464027704.db2.gz BQWRENVQMNAMDP-MRXNPFEDSA-N 1 2 343.383 2.177 20 30 EEEDLO COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000179141061 464065931 /nfs/dbraw/zinc/06/59/31/464065931.db2.gz UVSXIDAZNGSWEZ-LBPRGKRZSA-N 1 2 335.429 2.203 20 30 EEEDLO COC(=O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000179141061 464065935 /nfs/dbraw/zinc/06/59/35/464065935.db2.gz UVSXIDAZNGSWEZ-LBPRGKRZSA-N 1 2 335.429 2.203 20 30 EEEDLO C=C(C)CN(C)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000186868632 464074969 /nfs/dbraw/zinc/07/49/69/464074969.db2.gz YVZNHQJXBDRANG-UHFFFAOYSA-N 1 2 344.459 2.391 20 30 EEEDLO COc1ccc(C[N@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000591019736 468394030 /nfs/dbraw/zinc/39/40/30/468394030.db2.gz ZPZHIDVDKIWGLD-QGZVFWFLSA-N 1 2 336.395 2.199 20 30 EEEDLO COc1ccc(C[N@@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000591019736 468394036 /nfs/dbraw/zinc/39/40/36/468394036.db2.gz ZPZHIDVDKIWGLD-QGZVFWFLSA-N 1 2 336.395 2.199 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)n1 ZINC000279707078 464131353 /nfs/dbraw/zinc/13/13/53/464131353.db2.gz JWIRLQZMKYBCNN-NUJGCVRESA-N 1 2 330.476 2.422 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)n1 ZINC000279707078 464131358 /nfs/dbraw/zinc/13/13/58/464131358.db2.gz JWIRLQZMKYBCNN-NUJGCVRESA-N 1 2 330.476 2.422 20 30 EEEDLO Cn1c[nH+]cc1CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000291856142 464160340 /nfs/dbraw/zinc/16/03/40/464160340.db2.gz JWGKOBAYKUKOFS-UHFFFAOYSA-N 1 2 336.317 2.290 20 30 EEEDLO COc1cc(Cl)ccc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000280565904 464218959 /nfs/dbraw/zinc/21/89/59/464218959.db2.gz VOEPWLGITHMWGX-UHFFFAOYSA-N 1 2 337.851 2.396 20 30 EEEDLO Cn1cc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000180014752 464224481 /nfs/dbraw/zinc/22/44/81/464224481.db2.gz AGYBROPDQDEMOA-ROUUACIJSA-N 1 2 349.438 2.202 20 30 EEEDLO Cn1cc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000180014752 464224486 /nfs/dbraw/zinc/22/44/86/464224486.db2.gz AGYBROPDQDEMOA-ROUUACIJSA-N 1 2 349.438 2.202 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280650356 464227028 /nfs/dbraw/zinc/22/70/28/464227028.db2.gz ZBTDUEOUUYMQEC-IFXJQAMLSA-N 1 2 343.427 2.155 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280650356 464227036 /nfs/dbraw/zinc/22/70/36/464227036.db2.gz ZBTDUEOUUYMQEC-IFXJQAMLSA-N 1 2 343.427 2.155 20 30 EEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000264224933 464289816 /nfs/dbraw/zinc/28/98/16/464289816.db2.gz QCDBCWWLCDRXPC-AWEZNQCLSA-N 1 2 333.457 2.379 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000174115520 464362966 /nfs/dbraw/zinc/36/29/66/464362966.db2.gz JSELLSLOGCHRQT-UHFFFAOYSA-N 1 2 331.416 2.266 20 30 EEEDLO CC#CCCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1[nH+]ccn1C ZINC000284910255 464388009 /nfs/dbraw/zinc/38/80/09/464388009.db2.gz VEZNZTXWKISWGO-OAHLLOKOSA-N 1 2 332.448 2.427 20 30 EEEDLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)N(C)CCC#N ZINC000174333243 464395153 /nfs/dbraw/zinc/39/51/53/464395153.db2.gz TXOPGPNPFNVQAZ-NWDGAFQWSA-N 1 2 345.378 2.287 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1=O ZINC000281298695 464405705 /nfs/dbraw/zinc/40/57/05/464405705.db2.gz JSLNEQKWZOBOBD-WMLDXEAASA-N 1 2 347.434 2.064 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1=O ZINC000281298695 464405710 /nfs/dbraw/zinc/40/57/10/464405710.db2.gz JSLNEQKWZOBOBD-WMLDXEAASA-N 1 2 347.434 2.064 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2cccc(SC)c2)C1=O ZINC000281397236 464438671 /nfs/dbraw/zinc/43/86/71/464438671.db2.gz QEALJMMRWICXRL-CJNGLKHVSA-N 1 2 347.484 2.454 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2cccc(SC)c2)C1=O ZINC000281397236 464438679 /nfs/dbraw/zinc/43/86/79/464438679.db2.gz QEALJMMRWICXRL-CJNGLKHVSA-N 1 2 347.484 2.454 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccccc2OCC)C1=O ZINC000281441055 464455823 /nfs/dbraw/zinc/45/58/23/464455823.db2.gz TYORBHRYVQEWEM-GDBMZVCRSA-N 1 2 345.443 2.131 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccccc2OCC)C1=O ZINC000281441055 464455826 /nfs/dbraw/zinc/45/58/26/464455826.db2.gz TYORBHRYVQEWEM-GDBMZVCRSA-N 1 2 345.443 2.131 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc3ccccc3c2)C1=O ZINC000281498631 464479876 /nfs/dbraw/zinc/47/98/76/464479876.db2.gz XYDAZRJBTKDGEL-SFHVURJKSA-N 1 2 337.423 2.497 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc3ccccc3c2)C1=O ZINC000281498631 464479879 /nfs/dbraw/zinc/47/98/79/464479879.db2.gz XYDAZRJBTKDGEL-SFHVURJKSA-N 1 2 337.423 2.497 20 30 EEEDLO CC[C@](C)(C#N)C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000285307092 464518546 /nfs/dbraw/zinc/51/85/46/464518546.db2.gz WKWHXZXODHIMKL-IEBWSBKVSA-N 1 2 329.444 2.424 20 30 EEEDLO CCOC(=O)[C@@H](CC(C)C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000182080947 464566718 /nfs/dbraw/zinc/56/67/18/464566718.db2.gz YMVXRVYFRKBRRY-MRXNPFEDSA-N 1 2 330.432 2.053 20 30 EEEDLO CCN1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1=O ZINC000190179979 464605475 /nfs/dbraw/zinc/60/54/75/464605475.db2.gz ZROKKHAVXSJDRO-UHFFFAOYSA-N 1 2 340.345 2.491 20 30 EEEDLO CCN1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1=O ZINC000190179979 464605481 /nfs/dbraw/zinc/60/54/81/464605481.db2.gz ZROKKHAVXSJDRO-UHFFFAOYSA-N 1 2 340.345 2.491 20 30 EEEDLO C=CCOc1ccc(CC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000295169908 464730480 /nfs/dbraw/zinc/73/04/80/464730480.db2.gz AKCJMVWSAITQEH-AEFFLSMTSA-N 1 2 344.455 2.116 20 30 EEEDLO C#CC[N@@H+](Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)C1CC1 ZINC000274191793 464737236 /nfs/dbraw/zinc/73/72/36/464737236.db2.gz QFYBTPZKOTXDRS-UHFFFAOYSA-N 1 2 343.383 2.360 20 30 EEEDLO C#CC[N@H+](Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)C1CC1 ZINC000274191793 464737240 /nfs/dbraw/zinc/73/72/40/464737240.db2.gz QFYBTPZKOTXDRS-UHFFFAOYSA-N 1 2 343.383 2.360 20 30 EEEDLO NC(=[NH+]OCCC1OCCO1)c1cccc(OCc2cccnc2)c1 ZINC000274326747 464741978 /nfs/dbraw/zinc/74/19/78/464741978.db2.gz JUWKTQFAPWKJFH-UHFFFAOYSA-N 1 2 343.383 2.061 20 30 EEEDLO C=CCCN(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000276151662 464827132 /nfs/dbraw/zinc/82/71/32/464827132.db2.gz PXVQYUZBMDUPBQ-UHFFFAOYSA-N 1 2 344.459 2.307 20 30 EEEDLO C#Cc1ccc(CNC(=O)c2ccccc2C[NH+]2CCOCC2)cc1 ZINC000295521492 464868304 /nfs/dbraw/zinc/86/83/04/464868304.db2.gz QOHINNHBTORIPX-UHFFFAOYSA-N 1 2 334.419 2.430 20 30 EEEDLO COC(=O)c1cccc(OCC(N)=[NH+]OCc2cnc(C)s2)c1 ZINC000266989441 464896241 /nfs/dbraw/zinc/89/62/41/464896241.db2.gz AFWHXKHBBIZRBP-UHFFFAOYSA-N 1 2 335.385 2.106 20 30 EEEDLO C[NH+](C)[C@H](CNS(=O)(=O)CC1(C#N)CC1)c1ccccc1Cl ZINC000183762675 464907291 /nfs/dbraw/zinc/90/72/91/464907291.db2.gz WEFLHHDVGSYLKT-CQSZACIVSA-N 1 2 341.864 2.166 20 30 EEEDLO CCc1nc(CO[NH+]=C(N)COc2cccc(C(=O)OC)c2)cs1 ZINC000267021425 464907937 /nfs/dbraw/zinc/90/79/37/464907937.db2.gz RFYGKPSLNRRAHJ-UHFFFAOYSA-N 1 2 349.412 2.360 20 30 EEEDLO CC(C)C(=O)N[C@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000329467303 465344201 /nfs/dbraw/zinc/34/42/01/465344201.db2.gz WNWJGLPSWAKZFR-AWEZNQCLSA-N 1 2 341.415 2.484 20 30 EEEDLO C=CCC[N@@H+](C)Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1CC ZINC000342736298 465345310 /nfs/dbraw/zinc/34/53/10/465345310.db2.gz PMUBTBPXYOWALL-UHFFFAOYSA-N 1 2 333.436 2.127 20 30 EEEDLO C=CCC[N@H+](C)Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1CC ZINC000342736298 465345315 /nfs/dbraw/zinc/34/53/15/465345315.db2.gz PMUBTBPXYOWALL-UHFFFAOYSA-N 1 2 333.436 2.127 20 30 EEEDLO CCn1nc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c(=O)c2ccccc21 ZINC000329711733 465412791 /nfs/dbraw/zinc/41/27/91/465412791.db2.gz OXUJGQMNEKOPQR-CYBMUJFWSA-N 1 2 340.427 2.371 20 30 EEEDLO CCn1nc(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c(=O)c2ccccc21 ZINC000329711733 465412797 /nfs/dbraw/zinc/41/27/97/465412797.db2.gz OXUJGQMNEKOPQR-CYBMUJFWSA-N 1 2 340.427 2.371 20 30 EEEDLO C=CCn1c(CC)nnc1N1CC[NH+]([C@@H](C)c2nccs2)CC1 ZINC000554625730 468433184 /nfs/dbraw/zinc/43/31/84/468433184.db2.gz SOUZCMSUQQITLY-ZDUSSCGKSA-N 1 2 332.477 2.366 20 30 EEEDLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000329791543 465436053 /nfs/dbraw/zinc/43/60/53/465436053.db2.gz UONLUKJBGACVOI-UHFFFAOYSA-N 1 2 341.415 2.214 20 30 EEEDLO CCN(CC)C(=O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348306421 465540997 /nfs/dbraw/zinc/54/09/97/465540997.db2.gz LRXOXNLRZRQHMV-KRWDZBQOSA-N 1 2 348.878 2.391 20 30 EEEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000348333388 465555114 /nfs/dbraw/zinc/55/51/14/465555114.db2.gz YOSSOPYRVLKHBX-QGZVFWFLSA-N 1 2 346.862 2.145 20 30 EEEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)CC2 ZINC000299169066 465634190 /nfs/dbraw/zinc/63/41/90/465634190.db2.gz QOFSYCXHDGIQSG-UHFFFAOYSA-N 1 2 335.407 2.241 20 30 EEEDLO COc1ccc2c(c1)C[N@H+](CC(=O)NCc1ccc(C#N)cc1)CC2 ZINC000299169066 465634198 /nfs/dbraw/zinc/63/41/98/465634198.db2.gz QOFSYCXHDGIQSG-UHFFFAOYSA-N 1 2 335.407 2.241 20 30 EEEDLO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N)c1ccc2c(c1)OCCO2 ZINC000353463345 465902886 /nfs/dbraw/zinc/90/28/86/465902886.db2.gz QHOZXQHXCQNGQW-MCIONIFRSA-N 1 2 331.416 2.115 20 30 EEEDLO C[C@@H](NC(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N)c1ccc2c(c1)OCCO2 ZINC000353463345 465902887 /nfs/dbraw/zinc/90/28/87/465902887.db2.gz QHOZXQHXCQNGQW-MCIONIFRSA-N 1 2 331.416 2.115 20 30 EEEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC(F)(F)[C@@H](CO)C3)o2)c1 ZINC000361403743 465966119 /nfs/dbraw/zinc/96/61/19/465966119.db2.gz PQYCISOHAPHUTO-CYBMUJFWSA-N 1 2 334.326 2.058 20 30 EEEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC(F)(F)[C@@H](CO)C3)o2)c1 ZINC000361403743 465966126 /nfs/dbraw/zinc/96/61/26/465966126.db2.gz PQYCISOHAPHUTO-CYBMUJFWSA-N 1 2 334.326 2.058 20 30 EEEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)Cc3ccc(C#N)cc3)cn2c1 ZINC000340440714 466093288 /nfs/dbraw/zinc/09/32/88/466093288.db2.gz RXMRHRXIJHMDQK-UHFFFAOYSA-N 1 2 340.408 2.134 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361557871 466098931 /nfs/dbraw/zinc/09/89/31/466098931.db2.gz DTOOQXCDGTXONJ-AWEZNQCLSA-N 1 2 327.428 2.248 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361557871 466098940 /nfs/dbraw/zinc/09/89/40/466098940.db2.gz DTOOQXCDGTXONJ-AWEZNQCLSA-N 1 2 327.428 2.248 20 30 EEEDLO N#Cc1cccc(CCNC(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000346868528 466210461 /nfs/dbraw/zinc/21/04/61/466210461.db2.gz HJNPQMDQJINZLV-UHFFFAOYSA-N 1 2 333.395 2.290 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCc2cncnc2C1 ZINC000357733703 466215840 /nfs/dbraw/zinc/21/58/40/466215840.db2.gz NTFJOZVZGQNUEE-QGZVFWFLSA-N 1 2 325.412 2.003 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCc2cncnc2C1 ZINC000357733703 466215843 /nfs/dbraw/zinc/21/58/43/466215843.db2.gz NTFJOZVZGQNUEE-QGZVFWFLSA-N 1 2 325.412 2.003 20 30 EEEDLO C#CCCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000363280165 466323623 /nfs/dbraw/zinc/32/36/23/466323623.db2.gz JIGHMIOMGQIIIO-MRXNPFEDSA-N 1 2 326.400 2.231 20 30 EEEDLO Cn1cc(C#N)cc1C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000332236123 466461712 /nfs/dbraw/zinc/46/17/12/466461712.db2.gz OLLQUXNMNJFLRN-ZDUSSCGKSA-N 1 2 325.416 2.136 20 30 EEEDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000362186803 466611589 /nfs/dbraw/zinc/61/15/89/466611589.db2.gz CCZOATUKFNHOQE-CRAIPNDOSA-N 1 2 343.427 2.138 20 30 EEEDLO CC(C)OC(=O)C[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000362186803 466611596 /nfs/dbraw/zinc/61/15/96/466611596.db2.gz CCZOATUKFNHOQE-CRAIPNDOSA-N 1 2 343.427 2.138 20 30 EEEDLO C=CCCCCCN(C)C(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000410646176 466722721 /nfs/dbraw/zinc/72/27/21/466722721.db2.gz YEVFQUZJURCHPC-KRWDZBQOSA-N 1 2 345.443 2.266 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccncc3)CC2)cc1F ZINC000377011276 466997477 /nfs/dbraw/zinc/99/74/77/466997477.db2.gz FMSYTQSCCOFSFU-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccncc3)CC2)cc1F ZINC000377011276 466997481 /nfs/dbraw/zinc/99/74/81/466997481.db2.gz FMSYTQSCCOFSFU-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO N#C[C@H]1CC[C@@H](NC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000425640339 467117647 /nfs/dbraw/zinc/11/76/47/467117647.db2.gz RPMCCTNZPZKTAY-GOEBONIOSA-N 1 2 328.416 2.333 20 30 EEEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](CC(=O)NC1(C#N)CCC1)C2 ZINC000377775200 467138274 /nfs/dbraw/zinc/13/82/74/467138274.db2.gz URKUDWOTLIHZCV-UHFFFAOYSA-N 1 2 325.412 2.105 20 30 EEEDLO COc1ccc2c(c1)C1(CC1)C[N@H+](CC(=O)NC1(C#N)CCC1)C2 ZINC000377775200 467138275 /nfs/dbraw/zinc/13/82/75/467138275.db2.gz URKUDWOTLIHZCV-UHFFFAOYSA-N 1 2 325.412 2.105 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000378443415 467303715 /nfs/dbraw/zinc/30/37/15/467303715.db2.gz IGNMCUNNCVZVDK-HNNXBMFYSA-N 1 2 335.452 2.082 20 30 EEEDLO C[N@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)CC(C)(C)C#N ZINC000433303043 467316793 /nfs/dbraw/zinc/31/67/93/467316793.db2.gz ZMFPEHSLBWULJH-UHFFFAOYSA-N 1 2 348.878 2.470 20 30 EEEDLO C[N@@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)CC(C)(C)C#N ZINC000433303043 467316794 /nfs/dbraw/zinc/31/67/94/467316794.db2.gz ZMFPEHSLBWULJH-UHFFFAOYSA-N 1 2 348.878 2.470 20 30 EEEDLO CN(C(=O)[C@H](C#N)CCc1ccccc1)C(C)(C)C[NH+]1CCOCC1 ZINC000414042723 467367244 /nfs/dbraw/zinc/36/72/44/467367244.db2.gz OSAPBNUSCUEEPP-SFHVURJKSA-N 1 2 343.471 2.328 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000414127137 467380509 /nfs/dbraw/zinc/38/05/09/467380509.db2.gz PPJOHUPDFOHKMY-ZDUSSCGKSA-N 1 2 332.400 2.016 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000414127137 467380511 /nfs/dbraw/zinc/38/05/11/467380511.db2.gz PPJOHUPDFOHKMY-ZDUSSCGKSA-N 1 2 332.400 2.016 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)COc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000414169314 467385520 /nfs/dbraw/zinc/38/55/20/467385520.db2.gz VHLCBCQSAWYNJC-JTQLQIEISA-N 1 2 348.186 2.487 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000414169314 467385526 /nfs/dbraw/zinc/38/55/26/467385526.db2.gz VHLCBCQSAWYNJC-JTQLQIEISA-N 1 2 348.186 2.487 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000435024880 467441962 /nfs/dbraw/zinc/44/19/62/467441962.db2.gz UREXRKJPLSXUFQ-QZTJIDSGSA-N 1 2 344.411 2.042 20 30 EEEDLO CC(C)Oc1ccc(NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1C#N ZINC000435546654 467475392 /nfs/dbraw/zinc/47/53/92/467475392.db2.gz VJUPZJNGFROVAF-AWEZNQCLSA-N 1 2 346.431 2.188 20 30 EEEDLO CC(C)Oc1ccc(NC(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1C#N ZINC000435546654 467475395 /nfs/dbraw/zinc/47/53/95/467475395.db2.gz VJUPZJNGFROVAF-AWEZNQCLSA-N 1 2 346.431 2.188 20 30 EEEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439450246 467567422 /nfs/dbraw/zinc/56/74/22/467567422.db2.gz HOBDWYMPVULYAT-AWEZNQCLSA-N 1 2 341.864 2.114 20 30 EEEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439450246 467567424 /nfs/dbraw/zinc/56/74/24/467567424.db2.gz HOBDWYMPVULYAT-AWEZNQCLSA-N 1 2 341.864 2.114 20 30 EEEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000492460597 467643195 /nfs/dbraw/zinc/64/31/95/467643195.db2.gz QNMSMLYMXQYUFR-FPLPWBNLSA-N 1 2 347.382 2.066 20 30 EEEDLO CCOc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000527048628 467652895 /nfs/dbraw/zinc/65/28/95/467652895.db2.gz DUKYSXKPYYSDBV-AWEZNQCLSA-N 1 2 327.428 2.394 20 30 EEEDLO CCOc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000527048628 467652899 /nfs/dbraw/zinc/65/28/99/467652899.db2.gz DUKYSXKPYYSDBV-AWEZNQCLSA-N 1 2 327.428 2.394 20 30 EEEDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000496677842 467689181 /nfs/dbraw/zinc/68/91/81/467689181.db2.gz HUXQRGBCEMQZRC-CYBMUJFWSA-N 1 2 332.360 2.177 20 30 EEEDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000496677842 467689183 /nfs/dbraw/zinc/68/91/83/467689183.db2.gz HUXQRGBCEMQZRC-CYBMUJFWSA-N 1 2 332.360 2.177 20 30 EEEDLO C#CC[C@]1(C(=O)OCCn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000496864627 467726822 /nfs/dbraw/zinc/72/68/22/467726822.db2.gz LTCQUBWALMCGKP-GOSISDBHSA-N 1 2 347.415 2.219 20 30 EEEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC000450250552 467809279 /nfs/dbraw/zinc/80/92/79/467809279.db2.gz LFBLNBROTCAGCC-UHFFFAOYSA-N 1 2 345.468 2.365 20 30 EEEDLO C[C@@H]1CN(c2ccc(C#N)cc2Br)C[C@H](C)[N@H+]1CCO ZINC000450795007 467908893 /nfs/dbraw/zinc/90/88/93/467908893.db2.gz OKSFECBHVISUCU-TXEJJXNPSA-N 1 2 338.249 2.212 20 30 EEEDLO C[C@@H]1CN(c2ccc(C#N)cc2Br)C[C@H](C)[N@@H+]1CCO ZINC000450795007 467908897 /nfs/dbraw/zinc/90/88/97/467908897.db2.gz OKSFECBHVISUCU-TXEJJXNPSA-N 1 2 338.249 2.212 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC1(C#N)CC1 ZINC000495740249 468101479 /nfs/dbraw/zinc/10/14/79/468101479.db2.gz ZDGRREXYQWAKFD-CQSZACIVSA-N 1 2 345.447 2.318 20 30 EEEDLO Cc1ccc([C@@H](CNC(=O)C2(C#N)CC(C)C2)[NH+]2CCOCC2)cc1 ZINC000532323362 468111354 /nfs/dbraw/zinc/11/13/54/468111354.db2.gz UBYSZQDDWJBEJV-KGXSXCIVSA-N 1 2 341.455 2.424 20 30 EEEDLO C=CCn1cccc1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000489056151 468118015 /nfs/dbraw/zinc/11/80/15/468118015.db2.gz UJGQZAVABLNHLF-UHFFFAOYSA-N 1 2 326.400 2.466 20 30 EEEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000567616683 468174707 /nfs/dbraw/zinc/17/47/07/468174707.db2.gz JLHBGRLZZPUFTO-CYBMUJFWSA-N 1 2 339.399 2.392 20 30 EEEDLO COc1c(N)[nH+]cnc1NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000519701668 468197080 /nfs/dbraw/zinc/19/70/80/468197080.db2.gz CAEQLXWVIKPYES-UHFFFAOYSA-N 1 2 340.387 2.136 20 30 EEEDLO COc1c(N)nc[nH+]c1NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000519701668 468197083 /nfs/dbraw/zinc/19/70/83/468197083.db2.gz CAEQLXWVIKPYES-UHFFFAOYSA-N 1 2 340.387 2.136 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496391006 468216322 /nfs/dbraw/zinc/21/63/22/468216322.db2.gz DHNBRPGSXGXNIX-KSSFIOAISA-N 1 2 339.480 2.256 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496391006 468216325 /nfs/dbraw/zinc/21/63/25/468216325.db2.gz DHNBRPGSXGXNIX-KSSFIOAISA-N 1 2 339.480 2.256 20 30 EEEDLO COc1c(Br)cccc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592523318 468719449 /nfs/dbraw/zinc/71/94/49/468719449.db2.gz YFOABQRMANISOH-AWEZNQCLSA-N 1 2 325.206 2.308 20 30 EEEDLO COc1c(Br)cccc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592523318 468719450 /nfs/dbraw/zinc/71/94/50/468719450.db2.gz YFOABQRMANISOH-AWEZNQCLSA-N 1 2 325.206 2.308 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nnc(C4CC4)s3)C2)nc1 ZINC000560243836 468774984 /nfs/dbraw/zinc/77/49/84/468774984.db2.gz AOALYCKPBGRQPM-CYBMUJFWSA-N 1 2 327.413 2.335 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nnc(C4CC4)s3)C2)nc1 ZINC000560243836 468774986 /nfs/dbraw/zinc/77/49/86/468774986.db2.gz AOALYCKPBGRQPM-CYBMUJFWSA-N 1 2 327.413 2.335 20 30 EEEDLO CCO[C@H]1C[C@]([NH2+]CCc2ccc(C#N)cc2)(C(=O)OC)C1(C)C ZINC000595446941 468856600 /nfs/dbraw/zinc/85/66/00/468856600.db2.gz FCXNNMCEBWHCGH-LPHOPBHVSA-N 1 2 330.428 2.437 20 30 EEEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000601431542 468869918 /nfs/dbraw/zinc/86/99/18/468869918.db2.gz PLXKJUXGXFKUGU-GXFFZTMASA-N 1 2 334.376 2.187 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCCOc1cccc(C#N)c1 ZINC000593154261 468888383 /nfs/dbraw/zinc/88/83/83/468888383.db2.gz BHFUSYWLHQKWND-GOSISDBHSA-N 1 2 328.416 2.067 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC000593154958 468889731 /nfs/dbraw/zinc/88/97/31/468889731.db2.gz QZMCHLYIFGPPHT-MRXNPFEDSA-N 1 2 336.823 2.097 20 30 EEEDLO CC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H](C)C(=O)OC(C)(C)C ZINC000595603524 468919166 /nfs/dbraw/zinc/91/91/66/468919166.db2.gz NZPAHFJLPUXSCE-GOEBONIOSA-N 1 2 348.443 2.350 20 30 EEEDLO CC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H](C)C(=O)OC(C)(C)C ZINC000595603524 468919171 /nfs/dbraw/zinc/91/91/71/468919171.db2.gz NZPAHFJLPUXSCE-GOEBONIOSA-N 1 2 348.443 2.350 20 30 EEEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3n[nH]cc3C#N)c2C1 ZINC000601640567 468947694 /nfs/dbraw/zinc/94/76/94/468947694.db2.gz ZPNPDTJMGNKNDQ-UHFFFAOYSA-N 1 2 346.394 2.460 20 30 EEEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3n[nH]cc3C#N)c2C1 ZINC000601640567 468947695 /nfs/dbraw/zinc/94/76/95/468947695.db2.gz ZPNPDTJMGNKNDQ-UHFFFAOYSA-N 1 2 346.394 2.460 20 30 EEEDLO CC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1nnc2n1CCCCC2 ZINC000595806230 469020181 /nfs/dbraw/zinc/02/01/81/469020181.db2.gz FQEOKQTYHODSMR-KSSFIOAISA-N 1 2 346.479 2.100 20 30 EEEDLO Cc1oc(NC(=O)C[NH2+][C@H](CO)c2ccc(F)cc2F)c(C#N)c1C ZINC000595868247 469053429 /nfs/dbraw/zinc/05/34/29/469053429.db2.gz VEAXKKKOJVJOOY-OAHLLOKOSA-N 1 2 349.337 2.308 20 30 EEEDLO Cc1nccnc1C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000602807387 469090158 /nfs/dbraw/zinc/09/01/58/469090158.db2.gz STGNPRAQVVPEJE-GOSISDBHSA-N 1 2 325.391 2.307 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CC2(O)CCOCC2)c1C#N ZINC000614922211 469094112 /nfs/dbraw/zinc/09/41/12/469094112.db2.gz MSAAUCLQDGHCSZ-UHFFFAOYSA-N 1 2 340.427 2.026 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)CC2(O)CCOCC2)c1C#N ZINC000614922211 469094117 /nfs/dbraw/zinc/09/41/17/469094117.db2.gz MSAAUCLQDGHCSZ-UHFFFAOYSA-N 1 2 340.427 2.026 20 30 EEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 ZINC000573383797 469121093 /nfs/dbraw/zinc/12/10/93/469121093.db2.gz HNEKLNLZFSDEDQ-ZDUSSCGKSA-N 1 2 340.383 2.306 20 30 EEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 ZINC000573383797 469121099 /nfs/dbraw/zinc/12/10/99/469121099.db2.gz HNEKLNLZFSDEDQ-ZDUSSCGKSA-N 1 2 340.383 2.306 20 30 EEEDLO N#Cc1nc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)sc1Cl ZINC000596163152 469181827 /nfs/dbraw/zinc/18/18/27/469181827.db2.gz SQQQXJARWIRYIO-PWSUYJOCSA-N 1 2 326.853 2.723 20 30 EEEDLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611175211 469181844 /nfs/dbraw/zinc/18/18/44/469181844.db2.gz YSLXZDKDCHASSJ-HNNXBMFYSA-N 1 2 348.878 2.391 20 30 EEEDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000564873160 469261131 /nfs/dbraw/zinc/26/11/31/469261131.db2.gz UOUHUBFVXUHNPG-NHYWBVRUSA-N 1 2 336.417 2.035 20 30 EEEDLO CC(C)[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000611516999 469270388 /nfs/dbraw/zinc/27/03/88/469270388.db2.gz TWCRCUWLGUJKNS-MSOLQXFVSA-N 1 2 327.428 2.410 20 30 EEEDLO CC(C)[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000611516999 469270393 /nfs/dbraw/zinc/27/03/93/469270393.db2.gz TWCRCUWLGUJKNS-MSOLQXFVSA-N 1 2 327.428 2.410 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000599625955 469314452 /nfs/dbraw/zinc/31/44/52/469314452.db2.gz RKIXQCDEAKFUJP-UHFFFAOYSA-N 1 2 339.443 2.052 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)n1C ZINC000602436936 469315802 /nfs/dbraw/zinc/31/58/02/469315802.db2.gz BAKZAZWSAIDOAN-UHFFFAOYSA-N 1 2 338.411 2.006 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCSCc1ccccc1C#N ZINC000596666102 469327633 /nfs/dbraw/zinc/32/76/33/469327633.db2.gz LJFRDCIRVUQOIK-HZPDHXFCSA-N 1 2 340.452 2.445 20 30 EEEDLO N#Cc1ccc(Cn2cc[nH+]c2CN2CCOCC2)c(OC(F)F)c1 ZINC000603421716 469390489 /nfs/dbraw/zinc/39/04/89/469390489.db2.gz ZFVFBOAPBARPKJ-UHFFFAOYSA-N 1 2 348.353 2.237 20 30 EEEDLO C=CC[C@H](C)NC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000604901132 469525310 /nfs/dbraw/zinc/52/53/10/469525310.db2.gz FSPFQAPKHXPNHA-HNNXBMFYSA-N 1 2 345.443 2.250 20 30 EEEDLO C=CCc1ccc(OCC(=O)N[C@@H](C)c2[nH+]ccn2C)c(OC)c1 ZINC000620592001 469870232 /nfs/dbraw/zinc/87/02/32/469870232.db2.gz IJIOIKRRXJXGFZ-ZDUSSCGKSA-N 1 2 329.400 2.413 20 30 EEEDLO C[N@H+](Cc1ccsc1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000609121617 469892267 /nfs/dbraw/zinc/89/22/67/469892267.db2.gz JTGGHQAKQHOAJW-OAHLLOKOSA-N 1 2 325.393 2.384 20 30 EEEDLO C[N@@H+](Cc1ccsc1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000609121617 469892269 /nfs/dbraw/zinc/89/22/69/469892269.db2.gz JTGGHQAKQHOAJW-OAHLLOKOSA-N 1 2 325.393 2.384 20 30 EEEDLO N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000614367119 469922205 /nfs/dbraw/zinc/92/22/05/469922205.db2.gz GMDZHTNTVXNTHZ-KRWDZBQOSA-N 1 2 349.438 2.056 20 30 EEEDLO N#Cc1cccc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)n1 ZINC000609893824 469968826 /nfs/dbraw/zinc/96/88/26/469968826.db2.gz LGOAWBCCTGUSDI-QGZVFWFLSA-N 1 2 342.830 2.462 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000610002217 469973504 /nfs/dbraw/zinc/97/35/04/469973504.db2.gz PZRVHSPPKGETBO-NFAWXSAZSA-N 1 2 349.397 2.473 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000610002217 469973507 /nfs/dbraw/zinc/97/35/07/469973507.db2.gz PZRVHSPPKGETBO-NFAWXSAZSA-N 1 2 349.397 2.473 20 30 EEEDLO C=CCn1cc(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)nn1 ZINC000648737777 470329835 /nfs/dbraw/zinc/32/98/35/470329835.db2.gz HPKYCCPKKAYINX-UHFFFAOYSA-N 1 2 340.431 2.025 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN(C)C[C@H]1Cc1ccccc1 ZINC000649830909 470712447 /nfs/dbraw/zinc/71/24/47/470712447.db2.gz NILIMBSYAAFHEE-LJQANCHMSA-N 1 2 327.472 2.046 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN(C)C[C@H]1Cc1ccccc1 ZINC000649830909 470712451 /nfs/dbraw/zinc/71/24/51/470712451.db2.gz NILIMBSYAAFHEE-LJQANCHMSA-N 1 2 327.472 2.046 20 30 EEEDLO C=C(CC)CNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000652221737 471257602 /nfs/dbraw/zinc/25/76/02/471257602.db2.gz PSPBKUKNNDCAAF-UHFFFAOYSA-N 1 2 330.432 2.162 20 30 EEEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC(=O)CC23CCC3)cc1 ZINC000653763007 471731942 /nfs/dbraw/zinc/73/19/42/471731942.db2.gz APZINXUXUHCKJG-KRWDZBQOSA-N 1 2 328.412 2.080 20 30 EEEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC(=O)CC23CCC3)cc1 ZINC000653763007 471731944 /nfs/dbraw/zinc/73/19/44/471731944.db2.gz APZINXUXUHCKJG-KRWDZBQOSA-N 1 2 328.412 2.080 20 30 EEEDLO Cc1nsc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)c1C#N ZINC000291458718 534510335 /nfs/dbraw/zinc/51/03/35/534510335.db2.gz DAEQLNVDVUUTJC-UHFFFAOYSA-N 1 2 332.404 2.490 20 30 EEEDLO N#CC1(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CCOCC1 ZINC000109142833 534543038 /nfs/dbraw/zinc/54/30/38/534543038.db2.gz KTWLSDLBLLSLST-UHFFFAOYSA-N 1 2 342.443 2.399 20 30 EEEDLO Cn1ncc2c1nc[nH+]c2N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000171564585 534838123 /nfs/dbraw/zinc/83/81/23/534838123.db2.gz ZYXFZMBGFOVDIH-UHFFFAOYSA-N 1 2 334.383 2.283 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000103491362 528354536 /nfs/dbraw/zinc/35/45/36/528354536.db2.gz IUWZGBNWFWZVJI-UHFFFAOYSA-N 1 2 348.422 2.237 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000103491362 528354544 /nfs/dbraw/zinc/35/45/44/528354544.db2.gz IUWZGBNWFWZVJI-UHFFFAOYSA-N 1 2 348.422 2.237 20 30 EEEDLO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000175022179 528802814 /nfs/dbraw/zinc/80/28/14/528802814.db2.gz VQDJJNSDEAWHKO-CQSZACIVSA-N 1 2 332.423 2.075 20 30 EEEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000727226652 576413960 /nfs/dbraw/zinc/41/39/60/576413960.db2.gz FXGXVAQHEGEWFK-MRXNPFEDSA-N 1 2 344.459 2.199 20 30 EEEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000727226652 576413961 /nfs/dbraw/zinc/41/39/61/576413961.db2.gz FXGXVAQHEGEWFK-MRXNPFEDSA-N 1 2 344.459 2.199 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)cn1 ZINC000728803133 576530824 /nfs/dbraw/zinc/53/08/24/576530824.db2.gz QDZTYUBSCNXAIV-KRWDZBQOSA-N 1 2 334.354 2.455 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000731671107 577114270 /nfs/dbraw/zinc/11/42/70/577114270.db2.gz AAZKOEZSMCPLEB-OAHLLOKOSA-N 1 2 339.480 2.352 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000731671107 577114272 /nfs/dbraw/zinc/11/42/72/577114272.db2.gz AAZKOEZSMCPLEB-OAHLLOKOSA-N 1 2 339.480 2.352 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(SC(=O)N(C)C)c1 ZINC000732103011 577149468 /nfs/dbraw/zinc/14/94/68/577149468.db2.gz VQMWYKWQCWKYKQ-HNNXBMFYSA-N 1 2 331.441 2.496 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(SC(=O)N(C)C)c1 ZINC000732103011 577149470 /nfs/dbraw/zinc/14/94/70/577149470.db2.gz VQMWYKWQCWKYKQ-HNNXBMFYSA-N 1 2 331.441 2.496 20 30 EEEDLO C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732810727 577193612 /nfs/dbraw/zinc/19/36/12/577193612.db2.gz GBXIFZUKQMPGKR-ZDUSSCGKSA-N 1 2 329.297 2.292 20 30 EEEDLO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732810727 577193613 /nfs/dbraw/zinc/19/36/13/577193613.db2.gz GBXIFZUKQMPGKR-ZDUSSCGKSA-N 1 2 329.297 2.292 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC000772121391 577252788 /nfs/dbraw/zinc/25/27/88/577252788.db2.gz MROVJEYVKMQTNP-ZDUSSCGKSA-N 1 2 339.395 2.023 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2cc(F)c(C)cc2F)CC1 ZINC000772133378 577253816 /nfs/dbraw/zinc/25/38/16/577253816.db2.gz KPMMSCGVIOXULT-UHFFFAOYSA-N 1 2 335.350 2.344 20 30 EEEDLO C#CCCCCC(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000773624874 577355404 /nfs/dbraw/zinc/35/54/04/577355404.db2.gz AKFSCOAMMYSPKO-UHFFFAOYSA-N 1 2 348.468 2.129 20 30 EEEDLO C#CCOc1ccccc1C[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000768225090 577552384 /nfs/dbraw/zinc/55/23/84/577552384.db2.gz CKAUAACTZAKIKL-UHFFFAOYSA-N 1 2 327.428 2.032 20 30 EEEDLO CC(=[NH+]NC(=S)NC[C@H]1CCCO1)c1ccc(F)cc1N(C)C ZINC000759187199 577638668 /nfs/dbraw/zinc/63/86/68/577638668.db2.gz KLTBZMCRCKWVGS-CYBMUJFWSA-N 1 2 338.452 2.259 20 30 EEEDLO COC(=O)[C@@H](OC(=O)c1ccc2[nH+]ccn2c1)c1cccc(C#N)c1 ZINC000751662439 577757009 /nfs/dbraw/zinc/75/70/09/577757009.db2.gz KUOZPFGJLFCNSK-INIZCTEOSA-N 1 2 335.319 2.277 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000754118077 577800749 /nfs/dbraw/zinc/80/07/49/577800749.db2.gz HOTINQUXKIOXPB-ZYHUDNBSSA-N 1 2 328.376 2.129 20 30 EEEDLO Cn1c[nH+]cc1C=NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000755646553 577828505 /nfs/dbraw/zinc/82/85/05/577828505.db2.gz VZDHKPCBTLJUKF-UHFFFAOYSA-N 1 2 332.307 2.160 20 30 EEEDLO C#CC[N@@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CCCCC1 ZINC000744154039 577893676 /nfs/dbraw/zinc/89/36/76/577893676.db2.gz WHGWRRDNUIJGPS-UHFFFAOYSA-N 1 2 341.367 2.416 20 30 EEEDLO C#CC[N@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CCCCC1 ZINC000744154039 577893677 /nfs/dbraw/zinc/89/36/77/577893677.db2.gz WHGWRRDNUIJGPS-UHFFFAOYSA-N 1 2 341.367 2.416 20 30 EEEDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000746321167 577926052 /nfs/dbraw/zinc/92/60/52/577926052.db2.gz ILPMQCQYLZTTNT-UHFFFAOYSA-N 1 2 337.370 2.390 20 30 EEEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000746321167 577926053 /nfs/dbraw/zinc/92/60/53/577926053.db2.gz ILPMQCQYLZTTNT-UHFFFAOYSA-N 1 2 337.370 2.390 20 30 EEEDLO C#CCNC(=O)c1ccc(NCCc2cn3cccc(C)c3[nH+]2)nc1 ZINC000747225744 577941126 /nfs/dbraw/zinc/94/11/26/577941126.db2.gz AZQWWYHGYVYNJR-UHFFFAOYSA-N 1 2 333.395 2.055 20 30 EEEDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N(C)C1(C#N)CCCCC1 ZINC000741147678 578113567 /nfs/dbraw/zinc/11/35/67/578113567.db2.gz LEAVIMAPAPAICB-HNNXBMFYSA-N 1 2 335.448 2.089 20 30 EEEDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N(C)C1(C#N)CCCCC1 ZINC000741147678 578113568 /nfs/dbraw/zinc/11/35/68/578113568.db2.gz LEAVIMAPAPAICB-HNNXBMFYSA-N 1 2 335.448 2.089 20 30 EEEDLO C=CC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000833376777 605299889 /nfs/dbraw/zinc/29/98/89/605299889.db2.gz BPDRJPQSBOKVGY-CQSZACIVSA-N 1 2 345.443 2.342 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nc(CC)no3)C2)cc1 ZINC000969548319 675096228 /nfs/dbraw/zinc/09/62/28/675096228.db2.gz KJPKNNOVXYUKLT-XJKSGUPXSA-N 1 2 338.411 2.179 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(COC)no2)C1 ZINC000969569907 675110340 /nfs/dbraw/zinc/11/03/40/675110340.db2.gz FFAIBNWGSHIVOL-CHWSQXEVSA-N 1 2 336.436 2.070 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2scnc2COC)C1 ZINC000970544452 675973464 /nfs/dbraw/zinc/97/34/64/675973464.db2.gz MXGWMYDAXBLURG-JTQLQIEISA-N 1 2 329.853 2.092 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@@H](C)c3ncc(C)o3)C2)cn1 ZINC000970767644 676134614 /nfs/dbraw/zinc/13/46/14/676134614.db2.gz VBOXLOGGKVVSGD-KGLIPLIRSA-N 1 2 338.411 2.171 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC000970066784 675440305 /nfs/dbraw/zinc/44/03/05/675440305.db2.gz JLZFITQJIMVDIT-GFCCVEGCSA-N 1 2 347.846 2.008 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C(F)(F)F)ncn2)C1 ZINC000970138508 675560455 /nfs/dbraw/zinc/56/04/55/675560455.db2.gz KIVGGHOKBBKQIS-SECBINFHSA-N 1 2 348.756 2.298 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(C(F)F)nn2C)C1 ZINC000970144511 675573944 /nfs/dbraw/zinc/57/39/44/675573944.db2.gz YLTWOMIYLHEVPS-VIFPVBQESA-N 1 2 332.782 2.160 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)C2C[NH+](Cc3cc(C)n(C)n3)C2)CC1 ZINC000970375292 675830208 /nfs/dbraw/zinc/83/02/08/675830208.db2.gz CZQVCBFPXAFWMI-HNNXBMFYSA-N 1 2 330.476 2.411 20 30 EEEDLO N#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001021703977 676364467 /nfs/dbraw/zinc/36/44/67/676364467.db2.gz OSSAAPROFKAXGW-HKUYNNGSSA-N 1 2 349.438 2.322 20 30 EEEDLO C[N@H+](Cc1ncc(C(C)(C)C)o1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971505250 676603715 /nfs/dbraw/zinc/60/37/15/676603715.db2.gz QYLNUDZAKQTELH-HNNXBMFYSA-N 1 2 329.444 2.418 20 30 EEEDLO C[N@@H+](Cc1ncc(C(C)(C)C)o1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971505250 676603717 /nfs/dbraw/zinc/60/37/17/676603717.db2.gz QYLNUDZAKQTELH-HNNXBMFYSA-N 1 2 329.444 2.418 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000971713722 676753961 /nfs/dbraw/zinc/75/39/61/676753961.db2.gz OQQRWNGRYBYQKL-MCIONIFRSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000971713722 676753962 /nfs/dbraw/zinc/75/39/62/676753962.db2.gz OQQRWNGRYBYQKL-MCIONIFRSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000971961829 677894963 /nfs/dbraw/zinc/89/49/63/677894963.db2.gz ZDWZOXAEKFWLLO-SPYBWZPUSA-N 1 2 344.459 2.004 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)[C@@H]3CCCCO3)C2)C1 ZINC000972387619 678638850 /nfs/dbraw/zinc/63/88/50/678638850.db2.gz TXRYSSRYQATRNM-QFBILLFUSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)[C@@H]3CCCCO3)C2)C1 ZINC000972387619 678638853 /nfs/dbraw/zinc/63/88/53/678638853.db2.gz TXRYSSRYQATRNM-QFBILLFUSA-N 1 2 336.476 2.071 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cccc(CC)c3)C2)C1 ZINC000972436744 678739297 /nfs/dbraw/zinc/73/92/97/678739297.db2.gz DCARPGIOYOPWKQ-NRFANRHFSA-N 1 2 340.467 2.118 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cccc(CC)c3)C2)C1 ZINC000972436744 678739300 /nfs/dbraw/zinc/73/93/00/678739300.db2.gz DCARPGIOYOPWKQ-NRFANRHFSA-N 1 2 340.467 2.118 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cccc(CC)c3)C2)C1 ZINC000972438187 678741530 /nfs/dbraw/zinc/74/15/30/678741530.db2.gz ODPCLFMBXFMSMV-FQEVSTJZSA-N 1 2 328.456 2.281 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cccc(CC)c3)C2)C1 ZINC000972438187 678741533 /nfs/dbraw/zinc/74/15/33/678741533.db2.gz ODPCLFMBXFMSMV-FQEVSTJZSA-N 1 2 328.456 2.281 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(C)C)cn3)C2)C1 ZINC000972551819 679260797 /nfs/dbraw/zinc/26/07/97/679260797.db2.gz GXMJHXXCRHNVDE-IBGZPJMESA-N 1 2 329.444 2.308 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(C)C)cn3)C2)C1 ZINC000972551819 679260799 /nfs/dbraw/zinc/26/07/99/679260799.db2.gz GXMJHXXCRHNVDE-IBGZPJMESA-N 1 2 329.444 2.308 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3noc4c3CCCCC4)C2)C1 ZINC000972578821 679341954 /nfs/dbraw/zinc/34/19/54/679341954.db2.gz UZDAMAVOADSNQA-IBGZPJMESA-N 1 2 345.443 2.046 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3noc4c3CCCCC4)C2)C1 ZINC000972578821 679341956 /nfs/dbraw/zinc/34/19/56/679341956.db2.gz UZDAMAVOADSNQA-IBGZPJMESA-N 1 2 345.443 2.046 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3ccc(C)cc3)C2)C1 ZINC000972643122 679495642 /nfs/dbraw/zinc/49/56/42/679495642.db2.gz OJXBLNWVESCCSP-FXAWDEMLSA-N 1 2 326.440 2.035 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3ccc(C)cc3)C2)C1 ZINC000972643122 679495644 /nfs/dbraw/zinc/49/56/44/679495644.db2.gz OJXBLNWVESCCSP-FXAWDEMLSA-N 1 2 326.440 2.035 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2oncc2C)C1 ZINC000972658483 679522299 /nfs/dbraw/zinc/52/22/99/679522299.db2.gz BTWIKEMRCLJGKM-NSHDSACASA-N 1 2 328.210 2.038 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2oncc2C)C1 ZINC000972658483 679522303 /nfs/dbraw/zinc/52/23/03/679522303.db2.gz BTWIKEMRCLJGKM-NSHDSACASA-N 1 2 328.210 2.038 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)COc3ccc(CC)cc3)C2)C1 ZINC000972658797 679522577 /nfs/dbraw/zinc/52/25/77/679522577.db2.gz HHQINJZYCRVBKZ-FQEVSTJZSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)COc3ccc(CC)cc3)C2)C1 ZINC000972658797 679522580 /nfs/dbraw/zinc/52/25/80/679522580.db2.gz HHQINJZYCRVBKZ-FQEVSTJZSA-N 1 2 344.455 2.117 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc4ccccc43)C2)C1 ZINC000972660321 679526484 /nfs/dbraw/zinc/52/64/84/679526484.db2.gz ACAFQTUYZAGHGX-OAQYLSRUSA-N 1 2 334.419 2.390 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc4ccccc43)C2)C1 ZINC000972660321 679526488 /nfs/dbraw/zinc/52/64/88/679526488.db2.gz ACAFQTUYZAGHGX-OAQYLSRUSA-N 1 2 334.419 2.390 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)c3ccccc3)C2)C1 ZINC000972666488 679545578 /nfs/dbraw/zinc/54/55/78/679545578.db2.gz FCSHZQGATPBGSX-FQEVSTJZSA-N 1 2 328.456 2.454 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)c3ccccc3)C2)C1 ZINC000972666488 679545582 /nfs/dbraw/zinc/54/55/82/679545582.db2.gz FCSHZQGATPBGSX-FQEVSTJZSA-N 1 2 328.456 2.454 20 30 EEEDLO C=C[C@H](C(=O)N1CC[C@]2(C1)C[N@H+](CC#CC)CCO2)c1ccccc1 ZINC000972685696 679600317 /nfs/dbraw/zinc/60/03/17/679600317.db2.gz RWCUORUOBDPNLM-PZJWPPBQSA-N 1 2 338.451 2.283 20 30 EEEDLO C=C[C@H](C(=O)N1CC[C@]2(C1)C[N@@H+](CC#CC)CCO2)c1ccccc1 ZINC000972685696 679600318 /nfs/dbraw/zinc/60/03/18/679600318.db2.gz RWCUORUOBDPNLM-PZJWPPBQSA-N 1 2 338.451 2.283 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCc4ccccc43)C2)C1 ZINC000972691962 679612962 /nfs/dbraw/zinc/61/29/62/679612962.db2.gz KOAPNENLJKRXEM-RTWAWAEBSA-N 1 2 340.467 2.380 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCc4ccccc43)C2)C1 ZINC000972691962 679612963 /nfs/dbraw/zinc/61/29/63/679612963.db2.gz KOAPNENLJKRXEM-RTWAWAEBSA-N 1 2 340.467 2.380 20 30 EEEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1ccn[nH]1 ZINC000972825965 679809840 /nfs/dbraw/zinc/80/98/40/679809840.db2.gz VEAFGPWQBFJVOI-MRXNPFEDSA-N 1 2 341.390 2.061 20 30 EEEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1ccn[nH]1 ZINC000972825965 679809843 /nfs/dbraw/zinc/80/98/43/679809843.db2.gz VEAFGPWQBFJVOI-MRXNPFEDSA-N 1 2 341.390 2.061 20 30 EEEDLO Cc1ncncc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)CC1(C)C ZINC000972837288 679814833 /nfs/dbraw/zinc/81/48/33/679814833.db2.gz PYGZAERBWPJNIG-GOSISDBHSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1ncncc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC1(C)C ZINC000972837288 679814834 /nfs/dbraw/zinc/81/48/34/679814834.db2.gz PYGZAERBWPJNIG-GOSISDBHSA-N 1 2 349.438 2.297 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCOC1 ZINC001024356701 679881834 /nfs/dbraw/zinc/88/18/34/679881834.db2.gz MMTMMRVSTCQFLW-KGLIPLIRSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCOC1 ZINC001024356701 679881835 /nfs/dbraw/zinc/88/18/35/679881835.db2.gz MMTMMRVSTCQFLW-KGLIPLIRSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2nccn2C1 ZINC001024515318 680017214 /nfs/dbraw/zinc/01/72/14/680017214.db2.gz QUEDNCPHJWNPSA-GJZGRUSLSA-N 1 2 336.867 2.169 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2nccn2C1 ZINC001024515318 680017218 /nfs/dbraw/zinc/01/72/18/680017218.db2.gz QUEDNCPHJWNPSA-GJZGRUSLSA-N 1 2 336.867 2.169 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cnc(Cl)n1C ZINC001024555429 680089099 /nfs/dbraw/zinc/08/90/99/680089099.db2.gz WCTQDSQJSABCMN-NSHDSACASA-N 1 2 331.247 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnc(Cl)n1C ZINC001024555429 680089100 /nfs/dbraw/zinc/08/91/00/680089100.db2.gz WCTQDSQJSABCMN-NSHDSACASA-N 1 2 331.247 2.410 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1nc(C)oc1C ZINC001024661765 681325836 /nfs/dbraw/zinc/32/58/36/681325836.db2.gz NHJXBMWBQBRGMJ-NUJGCVRESA-N 1 2 347.459 2.353 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc(C)oc1C ZINC001024661765 681325841 /nfs/dbraw/zinc/32/58/41/681325841.db2.gz NHJXBMWBQBRGMJ-NUJGCVRESA-N 1 2 347.459 2.353 20 30 EEEDLO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cn1 ZINC001059460251 685440439 /nfs/dbraw/zinc/44/04/39/685440439.db2.gz ZRNZQBQPPVILPB-SHTZXODSSA-N 1 2 332.367 2.202 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@]3(C)C[N@@H+](Cc4nnc(C)o4)C[C@]3(C)C2)C1 ZINC000982535412 681573045 /nfs/dbraw/zinc/57/30/45/681573045.db2.gz QRVMYJGPLIITKT-KDURUIRLSA-N 1 2 344.459 2.405 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@]3(C)C[N@H+](Cc4nnc(C)o4)C[C@]3(C)C2)C1 ZINC000982535412 681573051 /nfs/dbraw/zinc/57/30/51/681573051.db2.gz QRVMYJGPLIITKT-KDURUIRLSA-N 1 2 344.459 2.405 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3C#N)CC2(C)C)[nH]1 ZINC000972967692 681628737 /nfs/dbraw/zinc/62/87/37/681628737.db2.gz JWYZIIIZJARSBI-KRWDZBQOSA-N 1 2 337.427 2.230 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3C#N)CC2(C)C)[nH]1 ZINC000972967692 681628743 /nfs/dbraw/zinc/62/87/43/681628743.db2.gz JWYZIIIZJARSBI-KRWDZBQOSA-N 1 2 337.427 2.230 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001028669833 681714133 /nfs/dbraw/zinc/71/41/33/681714133.db2.gz HDICXFMTAGQPIF-ZDUSSCGKSA-N 1 2 345.830 2.332 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001028669833 681714142 /nfs/dbraw/zinc/71/41/42/681714142.db2.gz HDICXFMTAGQPIF-ZDUSSCGKSA-N 1 2 345.830 2.332 20 30 EEEDLO Cc1csc(C[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)n1 ZINC000973052550 681940611 /nfs/dbraw/zinc/94/06/11/681940611.db2.gz QYDLFDZMQPGAPZ-CQSZACIVSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1csc(C[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)n1 ZINC000973052550 681940615 /nfs/dbraw/zinc/94/06/15/681940615.db2.gz QYDLFDZMQPGAPZ-CQSZACIVSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1nc(C[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)oc1C ZINC000973049675 681945048 /nfs/dbraw/zinc/94/50/48/681945048.db2.gz CYFSLWZGTVOZEI-OAHLLOKOSA-N 1 2 341.415 2.132 20 30 EEEDLO Cc1nc(C[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)oc1C ZINC000973049675 681945050 /nfs/dbraw/zinc/94/50/50/681945050.db2.gz CYFSLWZGTVOZEI-OAHLLOKOSA-N 1 2 341.415 2.132 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C(C)(C)C1 ZINC000974845720 685618664 /nfs/dbraw/zinc/61/86/64/685618664.db2.gz KWWDCFGKQVGOCW-KFWWJZLASA-N 1 2 326.868 2.381 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C(C)(C)C1 ZINC000974845720 685618670 /nfs/dbraw/zinc/61/86/70/685618670.db2.gz KWWDCFGKQVGOCW-KFWWJZLASA-N 1 2 326.868 2.381 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@]1(C)CC ZINC001026129956 683885685 /nfs/dbraw/zinc/88/56/85/683885685.db2.gz BBPZHYROSPVSCV-JYKNGBAOSA-N 1 2 327.266 2.378 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@]1(C)CC ZINC001026129956 683885689 /nfs/dbraw/zinc/88/56/89/683885689.db2.gz BBPZHYROSPVSCV-JYKNGBAOSA-N 1 2 327.266 2.378 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2nn(C)c(C)c2Cl)C1 ZINC001046661403 683957215 /nfs/dbraw/zinc/95/72/15/683957215.db2.gz HTUBXNDBBQIVGI-CQSZACIVSA-N 1 2 331.247 2.329 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2nn(C)c(C)c2Cl)C1 ZINC001046661403 683957216 /nfs/dbraw/zinc/95/72/16/683957216.db2.gz HTUBXNDBBQIVGI-CQSZACIVSA-N 1 2 331.247 2.329 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H](CN(C)c3cc[nH+]c(C)n3)C2)cn1 ZINC001058693637 684089442 /nfs/dbraw/zinc/08/94/42/684089442.db2.gz PJWXATQTQQMYJA-MRXNPFEDSA-N 1 2 349.438 2.150 20 30 EEEDLO CCS(=O)(=O)C1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000195164509 684997436 /nfs/dbraw/zinc/99/74/36/684997436.db2.gz JNJGOOMEXRAIHF-AWEZNQCLSA-N 1 2 336.457 2.377 20 30 EEEDLO Cc1ccc(C(=O)/C=C/C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000899969283 693947391 /nfs/dbraw/zinc/94/73/91/693947391.db2.gz KLNRVGILKTVWIK-BLGFXRMMSA-N 1 2 342.439 2.057 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000975370068 686480367 /nfs/dbraw/zinc/48/03/67/686480367.db2.gz SOPIFARVEUQXJD-RBSFLKMASA-N 1 2 344.459 2.080 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000975370068 686480371 /nfs/dbraw/zinc/48/03/71/686480371.db2.gz SOPIFARVEUQXJD-RBSFLKMASA-N 1 2 344.459 2.080 20 30 EEEDLO Cc1cnc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)s1 ZINC001027354915 687667266 /nfs/dbraw/zinc/66/72/66/687667266.db2.gz NDMJDNIRKMBFAW-AWEZNQCLSA-N 1 2 343.456 2.388 20 30 EEEDLO Cc1cnc(C[N@H+](C)[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)s1 ZINC001027354915 687667267 /nfs/dbraw/zinc/66/72/67/687667267.db2.gz NDMJDNIRKMBFAW-AWEZNQCLSA-N 1 2 343.456 2.388 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001059706923 688432762 /nfs/dbraw/zinc/43/27/62/688432762.db2.gz KUWMJLFTBCAWIH-MRXNPFEDSA-N 1 2 346.475 2.230 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCCCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000987144087 689417365 /nfs/dbraw/zinc/41/73/65/689417365.db2.gz GYFOYIQXLHJESV-BEFAXECRSA-N 1 2 346.475 2.442 20 30 EEEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)[nH]n1 ZINC000897595008 691659261 /nfs/dbraw/zinc/65/92/61/691659261.db2.gz YBBTWVAETDAWDH-CRAIPNDOSA-N 1 2 335.411 2.465 20 30 EEEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)[nH]n1 ZINC000897595008 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2.157 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033797388 1195287840 /nfs/dbraw/zinc/28/78/40/1195287840.db2.gz ZBTSAHILIIFJEV-INIZCTEOSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1ncc[nH]1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033825772 1195318083 /nfs/dbraw/zinc/31/80/83/1195318083.db2.gz HXWKAIOYDGZNMU-OAHLLOKOSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1ncc[nH]1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033825772 1195318089 /nfs/dbraw/zinc/31/80/89/1195318089.db2.gz HXWKAIOYDGZNMU-OAHLLOKOSA-N 1 2 341.390 2.157 20 30 EEEDLO C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(-c3ccn(C)c3)[nH]n2)C1 ZINC001033858395 1195400700 /nfs/dbraw/zinc/40/07/00/1195400700.db2.gz VMVZLYCBRXKVNV-OAHLLOKOSA-N 1 2 327.432 2.138 20 30 EEEDLO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(-c3ccn(C)c3)[nH]n2)C1 ZINC001033858395 1195400701 /nfs/dbraw/zinc/40/07/01/1195400701.db2.gz VMVZLYCBRXKVNV-OAHLLOKOSA-N 1 2 327.432 2.138 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(N(C)C)ccn2)C1 ZINC001034050500 1195704494 /nfs/dbraw/zinc/70/44/94/1195704494.db2.gz AUWMSMFFRJZBJO-HNNXBMFYSA-N 1 2 336.867 2.437 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(N(C)C)ccn2)C1 ZINC001034050500 1195704495 /nfs/dbraw/zinc/70/44/95/1195704495.db2.gz AUWMSMFFRJZBJO-HNNXBMFYSA-N 1 2 336.867 2.437 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001011509540 1224302556 /nfs/dbraw/zinc/30/25/56/1224302556.db2.gz PDGZDXROVALVLG-LJQANCHMSA-N 1 2 340.427 2.221 20 30 EEEDLO C[C@@H](c1ncccn1)[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001034158784 1195847178 /nfs/dbraw/zinc/84/71/78/1195847178.db2.gz CZGVVDVHFARZLL-DZGCQCFKSA-N 1 2 338.415 2.022 20 30 EEEDLO C[C@@H](c1ncccn1)[N@H+]1CCCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001034158784 1195847181 /nfs/dbraw/zinc/84/71/81/1195847181.db2.gz CZGVVDVHFARZLL-DZGCQCFKSA-N 1 2 338.415 2.022 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[N@H+](Cc3cscn3)C2)c1 ZINC001034163281 1195879987 /nfs/dbraw/zinc/87/99/87/1195879987.db2.gz JNGZSVIYSQKHFG-CYBMUJFWSA-N 1 2 329.429 2.127 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[N@@H+](Cc3cscn3)C2)c1 ZINC001034163281 1195879990 /nfs/dbraw/zinc/87/99/90/1195879990.db2.gz JNGZSVIYSQKHFG-CYBMUJFWSA-N 1 2 329.429 2.127 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCCC[N@@H+](Cc2nonc2C)C1 ZINC001034248228 1195981464 /nfs/dbraw/zinc/98/14/64/1195981464.db2.gz XGSABHWGHYCULZ-HNNXBMFYSA-N 1 2 343.431 2.150 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCCC[N@H+](Cc2nonc2C)C1 ZINC001034248228 1195981466 /nfs/dbraw/zinc/98/14/66/1195981466.db2.gz XGSABHWGHYCULZ-HNNXBMFYSA-N 1 2 343.431 2.150 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccn(CC(F)F)n2)C1 ZINC001034269067 1196021610 /nfs/dbraw/zinc/02/16/10/1196021610.db2.gz SRGUIFCYQAKAJN-LBPRGKRZSA-N 1 2 346.809 2.485 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccn(CC(F)F)n2)C1 ZINC001034269067 1196021612 /nfs/dbraw/zinc/02/16/12/1196021612.db2.gz SRGUIFCYQAKAJN-LBPRGKRZSA-N 1 2 346.809 2.485 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3nocc3C)C2)nc1 ZINC001034499714 1196278087 /nfs/dbraw/zinc/27/80/87/1196278087.db2.gz WMWJZSPJFAEYLA-MRXNPFEDSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](Cc3nocc3C)C2)nc1 ZINC001034499714 1196278092 /nfs/dbraw/zinc/27/80/92/1196278092.db2.gz WMWJZSPJFAEYLA-MRXNPFEDSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](Cc3nocc3C)C2)nc1 ZINC001034499710 1196278839 /nfs/dbraw/zinc/27/88/39/1196278839.db2.gz WMWJZSPJFAEYLA-INIZCTEOSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](Cc3nocc3C)C2)nc1 ZINC001034499710 1196278840 /nfs/dbraw/zinc/27/88/40/1196278840.db2.gz WMWJZSPJFAEYLA-INIZCTEOSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+]([C@H](C)c3ncccn3)C2)nc1 ZINC001034498704 1196289595 /nfs/dbraw/zinc/28/95/95/1196289595.db2.gz NHUNLILVKBRYFY-NVXWUHKLSA-N 1 2 349.438 2.198 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+]([C@H](C)c3ncccn3)C2)nc1 ZINC001034498704 1196289598 /nfs/dbraw/zinc/28/95/98/1196289598.db2.gz NHUNLILVKBRYFY-NVXWUHKLSA-N 1 2 349.438 2.198 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001078972345 1196493914 /nfs/dbraw/zinc/49/39/14/1196493914.db2.gz VHWWNDBLNOTVQQ-WBVHZDCISA-N 1 2 346.475 2.394 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001078972345 1196493915 /nfs/dbraw/zinc/49/39/15/1196493915.db2.gz VHWWNDBLNOTVQQ-WBVHZDCISA-N 1 2 346.475 2.394 20 30 EEEDLO O=C(C#CC1CC1)N1CCC[C@@H]1C[NH2+]Cc1nc(C2CCCC2)no1 ZINC001034935246 1196885719 /nfs/dbraw/zinc/88/57/19/1196885719.db2.gz KJBABTQFFAJWIM-MRXNPFEDSA-N 1 2 342.443 2.221 20 30 EEEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C1COC1 ZINC001273207218 1197537794 /nfs/dbraw/zinc/53/77/94/1197537794.db2.gz ABTQHEYIDLLVSQ-IAGOWNOFSA-N 1 2 345.830 2.176 20 30 EEEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C1COC1 ZINC001273207218 1197537798 /nfs/dbraw/zinc/53/77/98/1197537798.db2.gz ABTQHEYIDLLVSQ-IAGOWNOFSA-N 1 2 345.830 2.176 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccnn2CC(F)(F)F)C1 ZINC001014845979 1224434568 /nfs/dbraw/zinc/43/45/68/1224434568.db2.gz WOVKYYQFOSDBAN-SNVBAGLBSA-N 1 2 336.745 2.002 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccnn2CC(F)(F)F)C1 ZINC001014845979 1224434572 /nfs/dbraw/zinc/43/45/72/1224434572.db2.gz WOVKYYQFOSDBAN-SNVBAGLBSA-N 1 2 336.745 2.002 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CCCCCN1c1[nH+]cnc2c1cnn2C ZINC001114348495 1197921186 /nfs/dbraw/zinc/92/11/86/1197921186.db2.gz CMKCVHIVOSDJJH-CQSZACIVSA-N 1 2 342.447 2.195 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095320713 1197926545 /nfs/dbraw/zinc/92/65/45/1197926545.db2.gz NLGCJHFFNGQSOR-YJBOKZPZSA-N 1 2 332.448 2.417 20 30 EEEDLO C=CCn1cc(C[NH2+][C@H](CC)C(=O)N(C)c2ccc(C)cc2)nn1 ZINC000871889801 1197953771 /nfs/dbraw/zinc/95/37/71/1197953771.db2.gz NNOXTRLNXOEFGH-QGZVFWFLSA-N 1 2 327.432 2.304 20 30 EEEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1cccc(OCC)c1)C2 ZINC001273302193 1197996924 /nfs/dbraw/zinc/99/69/24/1197996924.db2.gz ADTIBXNBZKWTAR-UHFFFAOYSA-N 1 2 330.428 2.075 20 30 EEEDLO C#CCNC(=O)C1CCN(c2cc(NCc3ccccc3)[nH+]cn2)CC1 ZINC000865485506 1198241206 /nfs/dbraw/zinc/24/12/06/1198241206.db2.gz YHSUDGCXZVGLDD-UHFFFAOYSA-N 1 2 349.438 2.055 20 30 EEEDLO C#CCNC(=O)C1CCN(c2cc(NCc3ccccc3)nc[nH+]2)CC1 ZINC000865485506 1198241210 /nfs/dbraw/zinc/24/12/10/1198241210.db2.gz YHSUDGCXZVGLDD-UHFFFAOYSA-N 1 2 349.438 2.055 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3ccc(C)nc3Cl)C2)OCC1=O ZINC001273354609 1198281747 /nfs/dbraw/zinc/28/17/47/1198281747.db2.gz BZQDYDWFTCPDBV-GOSISDBHSA-N 1 2 349.862 2.423 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3ccc(C)nc3Cl)C2)OCC1=O ZINC001273354609 1198281754 /nfs/dbraw/zinc/28/17/54/1198281754.db2.gz BZQDYDWFTCPDBV-GOSISDBHSA-N 1 2 349.862 2.423 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)c3ccsn3)C2)ccc1F ZINC001014876200 1224479219 /nfs/dbraw/zinc/47/92/19/1224479219.db2.gz XBARBGGYQYIGAC-ZDUSSCGKSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3ccsn3)C2)ccc1F ZINC001014876200 1224479222 /nfs/dbraw/zinc/47/92/22/1224479222.db2.gz XBARBGGYQYIGAC-ZDUSSCGKSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001014878426 1224482507 /nfs/dbraw/zinc/48/25/07/1224482507.db2.gz QRVXTSJXTANTBR-QGZVFWFLSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001014878426 1224482510 /nfs/dbraw/zinc/48/25/10/1224482510.db2.gz QRVXTSJXTANTBR-QGZVFWFLSA-N 1 2 345.406 2.439 20 30 EEEDLO CC[C@H](C)N1CC2(C[NH+](CCCc3ccc(C#N)cc3)C2)OCC1=O ZINC001273439304 1198951915 /nfs/dbraw/zinc/95/19/15/1198951915.db2.gz FFODOHJZVVWNSX-INIZCTEOSA-N 1 2 341.455 2.203 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Oc1ccc(F)cc1 ZINC001018249695 1224526105 /nfs/dbraw/zinc/52/61/05/1224526105.db2.gz RZVXICKTFBALFA-BHYGNILZSA-N 1 2 330.403 2.292 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Oc1ccc(F)cc1 ZINC001018249695 1224526110 /nfs/dbraw/zinc/52/61/10/1224526110.db2.gz RZVXICKTFBALFA-BHYGNILZSA-N 1 2 330.403 2.292 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NC2CCCCC2)C1 ZINC001132016535 1199211450 /nfs/dbraw/zinc/21/14/50/1199211450.db2.gz HZSZXZBZYMIKGZ-SJLPKXTDSA-N 1 2 347.503 2.064 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC001132016535 1199211455 /nfs/dbraw/zinc/21/14/55/1199211455.db2.gz HZSZXZBZYMIKGZ-SJLPKXTDSA-N 1 2 347.503 2.064 20 30 EEEDLO COc1cc(C[N@@H+]2C[C@H](NC(=O)C#CC(C)C)CC[C@H]2C)sn1 ZINC001132018968 1199214969 /nfs/dbraw/zinc/21/49/69/1199214969.db2.gz ZZDXWAWDLVBWFO-ZIAGYGMSSA-N 1 2 335.473 2.280 20 30 EEEDLO COc1cc(C[N@H+]2C[C@H](NC(=O)C#CC(C)C)CC[C@H]2C)sn1 ZINC001132018968 1199214972 /nfs/dbraw/zinc/21/49/72/1199214972.db2.gz ZZDXWAWDLVBWFO-ZIAGYGMSSA-N 1 2 335.473 2.280 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COCc2cc(C)on2)CC[C@H]1C ZINC001132125809 1199332211 /nfs/dbraw/zinc/33/22/11/1199332211.db2.gz YYHOMCNOYHZZQI-OCCSQVGLSA-N 1 2 341.839 2.221 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COCc2cc(C)on2)CC[C@H]1C ZINC001132125809 1199332214 /nfs/dbraw/zinc/33/22/14/1199332214.db2.gz YYHOMCNOYHZZQI-OCCSQVGLSA-N 1 2 341.839 2.221 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001132234122 1199452195 /nfs/dbraw/zinc/45/21/95/1199452195.db2.gz AKAKGOLRFDAPEH-IAGOWNOFSA-N 1 2 342.487 2.492 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001132234122 1199452199 /nfs/dbraw/zinc/45/21/99/1199452199.db2.gz AKAKGOLRFDAPEH-IAGOWNOFSA-N 1 2 342.487 2.492 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCCC(=O)NC)CC[C@H]1C ZINC001132533764 1199848578 /nfs/dbraw/zinc/84/85/78/1199848578.db2.gz SAXLWQLRSIEENQ-KGLIPLIRSA-N 1 2 329.872 2.014 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCCC(=O)NC)CC[C@H]1C ZINC001132533764 1199848583 /nfs/dbraw/zinc/84/85/83/1199848583.db2.gz SAXLWQLRSIEENQ-KGLIPLIRSA-N 1 2 329.872 2.014 20 30 EEEDLO N#CCOc1ccc(C[NH+]2CCN(CCc3ccccn3)CC2)cc1 ZINC001137119591 1199913512 /nfs/dbraw/zinc/91/35/12/1199913512.db2.gz XQVQIQIAAKSEKX-UHFFFAOYSA-N 1 2 336.439 2.344 20 30 EEEDLO COC(=O)c1cnc2c(c1)C[N@@H+](Cc1ccc(OCC#N)cc1)CC2 ZINC001137123804 1199978683 /nfs/dbraw/zinc/97/86/83/1199978683.db2.gz DXIHUGYUEJCMNX-UHFFFAOYSA-N 1 2 337.379 2.329 20 30 EEEDLO COC(=O)c1cnc2c(c1)C[N@H+](Cc1ccc(OCC#N)cc1)CC2 ZINC001137123804 1199978691 /nfs/dbraw/zinc/97/86/91/1199978691.db2.gz DXIHUGYUEJCMNX-UHFFFAOYSA-N 1 2 337.379 2.329 20 30 EEEDLO CCOC(=O)C[C@@H](CC#N)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000870617619 1200771861 /nfs/dbraw/zinc/77/18/61/1200771861.db2.gz MUPQJZOVJPONDO-MRXNPFEDSA-N 1 2 341.367 2.324 20 30 EEEDLO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879584607 1201158237 /nfs/dbraw/zinc/15/82/37/1201158237.db2.gz DUEPHSKCBNIXMF-OAHLLOKOSA-N 1 2 328.460 2.374 20 30 EEEDLO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879589709 1201160589 /nfs/dbraw/zinc/16/05/89/1201160589.db2.gz XKLFWKLHGJMZMO-CQSZACIVSA-N 1 2 332.423 2.075 20 30 EEEDLO C=CCC1(O)CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000884098336 1202231729 /nfs/dbraw/zinc/23/17/29/1202231729.db2.gz HLONBOFYTIZLIO-UHFFFAOYSA-N 1 2 340.427 2.485 20 30 EEEDLO Cc1csc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)n1 ZINC001095328215 1202270678 /nfs/dbraw/zinc/27/06/78/1202270678.db2.gz XUMBVJXSHSDQFE-SNPRPXQTSA-N 1 2 341.440 2.187 20 30 EEEDLO Cc1csc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)n1 ZINC001095328215 1202270679 /nfs/dbraw/zinc/27/06/79/1202270679.db2.gz XUMBVJXSHSDQFE-SNPRPXQTSA-N 1 2 341.440 2.187 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(F)F)cc2)C1 ZINC000885509852 1202420426 /nfs/dbraw/zinc/42/04/26/1202420426.db2.gz XYVVAIDKULTCIJ-CYBMUJFWSA-N 1 2 328.384 2.000 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(F)F)cc2)C1 ZINC000885509852 1202420427 /nfs/dbraw/zinc/42/04/27/1202420427.db2.gz XYVVAIDKULTCIJ-CYBMUJFWSA-N 1 2 328.384 2.000 20 30 EEEDLO O=C(C#Cc1ccc2c(c1)OCO2)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000137526592 1202487526 /nfs/dbraw/zinc/48/75/26/1202487526.db2.gz RKOCKWXRMHWEGJ-UHFFFAOYSA-N 1 2 345.358 2.269 20 30 EEEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc(C(=O)OC)ccn2)C1=O ZINC001274003122 1204292528 /nfs/dbraw/zinc/29/25/28/1204292528.db2.gz QIRWPNFFSBVYPM-LJQANCHMSA-N 1 2 343.427 2.011 20 30 EEEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(C(=O)OC)ccn2)C1=O ZINC001274003122 1204292531 /nfs/dbraw/zinc/29/25/31/1204292531.db2.gz QIRWPNFFSBVYPM-LJQANCHMSA-N 1 2 343.427 2.011 20 30 EEEDLO C=CCN1CCC2(CC[NH+](Cc3csc(NC(C)=O)n3)CC2)C1=O ZINC001274530384 1205070563 /nfs/dbraw/zinc/07/05/63/1205070563.db2.gz JTCGYWCUCXMJMN-UHFFFAOYSA-N 1 2 348.472 2.102 20 30 EEEDLO C=CCN1CC[C@@]2(CCN(c3nc(N4CCCC4)c(C)c[nH+]3)C2)C1=O ZINC001274730633 1205146102 /nfs/dbraw/zinc/14/61/02/1205146102.db2.gz AVSNNTOWOUIWPS-IBGZPJMESA-N 1 2 341.459 2.000 20 30 EEEDLO COc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)cn1 ZINC001015181986 1224873442 /nfs/dbraw/zinc/87/34/42/1224873442.db2.gz KTQUYKLLQHHPSP-CYBMUJFWSA-N 1 2 342.424 2.028 20 30 EEEDLO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)cn1 ZINC001015181986 1224873445 /nfs/dbraw/zinc/87/34/45/1224873445.db2.gz KTQUYKLLQHHPSP-CYBMUJFWSA-N 1 2 342.424 2.028 20 30 EEEDLO COc1ccsc1CN1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001275452206 1205367492 /nfs/dbraw/zinc/36/74/92/1205367492.db2.gz UTDLQNHAWYKPKA-UHFFFAOYSA-N 1 2 342.468 2.285 20 30 EEEDLO N#Cc1cccc(C(=O)N2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)c1O ZINC001275735081 1205504346 /nfs/dbraw/zinc/50/43/46/1205504346.db2.gz ZVUYIOYBTKEVLK-WMLDXEAASA-N 1 2 325.412 2.353 20 30 EEEDLO N#Cc1cccc(C(=O)N2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)c1O ZINC001275735081 1205504348 /nfs/dbraw/zinc/50/43/48/1205504348.db2.gz ZVUYIOYBTKEVLK-WMLDXEAASA-N 1 2 325.412 2.353 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(Cc4ccccc4C#N)C3)C2)cc1C#N ZINC001275965949 1205606085 /nfs/dbraw/zinc/60/60/85/1205606085.db2.gz VRUAATQFKZKYSN-UHFFFAOYSA-N 1 2 331.423 2.086 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nnn1CC ZINC001110933054 1206314185 /nfs/dbraw/zinc/31/41/85/1206314185.db2.gz FOSBMLVTVHCRJT-SVGFKBNWSA-N 1 2 345.491 2.430 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nnn1CC ZINC001110933054 1206314188 /nfs/dbraw/zinc/31/41/88/1206314188.db2.gz FOSBMLVTVHCRJT-SVGFKBNWSA-N 1 2 345.491 2.430 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001015241823 1224971116 /nfs/dbraw/zinc/97/11/16/1224971116.db2.gz QFBMFUSWWQQALH-NSHGMRRFSA-N 1 2 339.439 2.208 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001015241823 1224971124 /nfs/dbraw/zinc/97/11/24/1224971124.db2.gz QFBMFUSWWQQALH-NSHGMRRFSA-N 1 2 339.439 2.208 20 30 EEEDLO CCn1c[nH+]c2c1CCN(CC(=O)Nc1cc(Cl)ccc1C#N)C2 ZINC000933260570 1207749094 /nfs/dbraw/zinc/74/90/94/1207749094.db2.gz MYIABADAOGPTKW-UHFFFAOYSA-N 1 2 343.818 2.425 20 30 EEEDLO Cc1nnc([C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)C)C2)o1 ZINC001111738638 1208342615 /nfs/dbraw/zinc/34/26/15/1208342615.db2.gz CJYGVRUXMXBDSK-XUWXXGDYSA-N 1 2 330.432 2.069 20 30 EEEDLO Cc1nnc([C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)C)C2)o1 ZINC001111738638 1208342617 /nfs/dbraw/zinc/34/26/17/1208342617.db2.gz CJYGVRUXMXBDSK-XUWXXGDYSA-N 1 2 330.432 2.069 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nccn3C)[C@@H](C)C2)cc1 ZINC000947612995 1208644880 /nfs/dbraw/zinc/64/48/80/1208644880.db2.gz YPKRBNCWKQMXSZ-MAUKXSAKSA-N 1 2 336.439 2.184 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nccn3C)[C@@H](C)C2)cc1 ZINC000947612995 1208644882 /nfs/dbraw/zinc/64/48/82/1208644882.db2.gz YPKRBNCWKQMXSZ-MAUKXSAKSA-N 1 2 336.439 2.184 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CC(OCC)C1 ZINC000948913376 1209449685 /nfs/dbraw/zinc/44/96/85/1209449685.db2.gz RWROBYMRTUISDC-TVPLGVNVSA-N 1 2 326.440 2.150 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CC(OCC)C1 ZINC000948913376 1209449687 /nfs/dbraw/zinc/44/96/87/1209449687.db2.gz RWROBYMRTUISDC-TVPLGVNVSA-N 1 2 326.440 2.150 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C2CC2)n(C)n1 ZINC000948923763 1209455667 /nfs/dbraw/zinc/45/56/67/1209455667.db2.gz SKBWAQIDXRJINQ-HXUWFJFHSA-N 1 2 348.450 2.260 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C2CC2)n(C)n1 ZINC000948923763 1209455669 /nfs/dbraw/zinc/45/56/69/1209455669.db2.gz SKBWAQIDXRJINQ-HXUWFJFHSA-N 1 2 348.450 2.260 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC000948958921 1209474643 /nfs/dbraw/zinc/47/46/43/1209474643.db2.gz RNDMEQTZVBOQHP-HKUYNNGSSA-N 1 2 348.450 2.178 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC000948958921 1209474644 /nfs/dbraw/zinc/47/46/44/1209474644.db2.gz RNDMEQTZVBOQHP-HKUYNNGSSA-N 1 2 348.450 2.178 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)nc(C)n1 ZINC000948970041 1209480312 /nfs/dbraw/zinc/48/03/12/1209480312.db2.gz QZEJXXUHFKNCCT-FQEVSTJZSA-N 1 2 348.450 2.446 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)nc(C)n1 ZINC000948970041 1209480313 /nfs/dbraw/zinc/48/03/13/1209480313.db2.gz QZEJXXUHFKNCCT-FQEVSTJZSA-N 1 2 348.450 2.446 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC12CCOCC2 ZINC000948989790 1209492884 /nfs/dbraw/zinc/49/28/84/1209492884.db2.gz NMTHSYRXYBKSNX-RBUKOAKNSA-N 1 2 338.451 2.152 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC12CCOCC2 ZINC000948989790 1209492885 /nfs/dbraw/zinc/49/28/85/1209492885.db2.gz NMTHSYRXYBKSNX-RBUKOAKNSA-N 1 2 338.451 2.152 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3occ4c3CCCC4)CC2)C1 ZINC000949517997 1209725029 /nfs/dbraw/zinc/72/50/29/1209725029.db2.gz HIYNONKUYWFWOK-UHFFFAOYSA-N 1 2 342.439 2.099 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3occ4c3CCCC4)CC2)C1 ZINC000949517997 1209725031 /nfs/dbraw/zinc/72/50/31/1209725031.db2.gz HIYNONKUYWFWOK-UHFFFAOYSA-N 1 2 342.439 2.099 20 30 EEEDLO N#Cc1cccc(CN2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)c1 ZINC000950433476 1210209846 /nfs/dbraw/zinc/20/98/46/1210209846.db2.gz HJPVOVQVZWPRLF-KRWDZBQOSA-N 1 2 349.438 2.046 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Cl)nc1Cl ZINC000779511405 1210403402 /nfs/dbraw/zinc/40/34/02/1210403402.db2.gz QJWNRLLIMVGFHG-UHFFFAOYSA-N 1 2 343.258 2.436 20 30 EEEDLO C#CCCCC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000192058772 1210412400 /nfs/dbraw/zinc/41/24/00/1210412400.db2.gz XTGAREOVKVEDLW-UHFFFAOYSA-N 1 2 327.428 2.009 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c(C)[nH]nc2C(F)(F)F)C1 ZINC000950893893 1210488668 /nfs/dbraw/zinc/48/86/68/1210488668.db2.gz FEEHNFMIIGFWFI-UHFFFAOYSA-N 1 2 330.354 2.459 20 30 EEEDLO C=CCCC(=O)N[C@]1(CO)CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001111338231 1210510867 /nfs/dbraw/zinc/51/08/67/1210510867.db2.gz PPDLHYBUZAJKLI-LJQANCHMSA-N 1 2 346.475 2.322 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)n1C ZINC001095922949 1225311434 /nfs/dbraw/zinc/31/14/34/1225311434.db2.gz XGFXYLBOKLWGPK-SQNIBIBYSA-N 1 2 349.438 2.136 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)n1C ZINC001095922949 1225311440 /nfs/dbraw/zinc/31/14/40/1225311440.db2.gz XGFXYLBOKLWGPK-SQNIBIBYSA-N 1 2 349.438 2.136 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001015550922 1225389928 /nfs/dbraw/zinc/38/99/28/1225389928.db2.gz UZBXERWPTDVGPS-ZBFHGGJFSA-N 1 2 344.459 2.100 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC000956590647 1214112144 /nfs/dbraw/zinc/11/21/44/1214112144.db2.gz QFHJAPSATBEIIT-BOVGMKJQSA-N 1 2 347.503 2.300 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[NH+]([C@@H]3CCN(C(=O)C=C(C)C)C3)CC2)C1 ZINC000956606052 1214127767 /nfs/dbraw/zinc/12/77/67/1214127767.db2.gz QBOZMCZHKUTKSG-QGZVFWFLSA-N 1 2 345.487 2.054 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCC)C2)CC1 ZINC000956606646 1214128625 /nfs/dbraw/zinc/12/86/25/1214128625.db2.gz STZWMMQGFRPMNB-LPHOPBHVSA-N 1 2 335.492 2.134 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CC3=CCOCC3)C2)c(F)c1 ZINC001015661149 1225522849 /nfs/dbraw/zinc/52/28/49/1225522849.db2.gz SAGGENBPFVYGJL-QGZVFWFLSA-N 1 2 343.402 2.125 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CC3=CCOCC3)C2)c(F)c1 ZINC001015661149 1225522851 /nfs/dbraw/zinc/52/28/51/1225522851.db2.gz SAGGENBPFVYGJL-QGZVFWFLSA-N 1 2 343.402 2.125 20 30 EEEDLO NC(=[NH+]OCc1ncn(-c2ccccc2)n1)c1ccc2c(c1)CCO2 ZINC000092317376 1214418201 /nfs/dbraw/zinc/41/82/01/1214418201.db2.gz GZCLWHDSUPEBPL-UHFFFAOYSA-N 1 2 335.367 2.039 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3conc3C3CC3)C2)s1 ZINC001015682945 1225546242 /nfs/dbraw/zinc/54/62/42/1225546242.db2.gz BIMAKHKKTNEDTN-GFCCVEGCSA-N 1 2 342.424 2.489 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3conc3C3CC3)C2)s1 ZINC001015682945 1225546246 /nfs/dbraw/zinc/54/62/46/1225546246.db2.gz BIMAKHKKTNEDTN-GFCCVEGCSA-N 1 2 342.424 2.489 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@H]21 ZINC001114680085 1214894497 /nfs/dbraw/zinc/89/44/97/1214894497.db2.gz DOMWWFWZNRGWHS-RMRHIDDWSA-N 1 2 331.464 2.077 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@H]21 ZINC001114680085 1214894501 /nfs/dbraw/zinc/89/45/01/1214894501.db2.gz DOMWWFWZNRGWHS-RMRHIDDWSA-N 1 2 331.464 2.077 20 30 EEEDLO CC(C)[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114709147 1215071513 /nfs/dbraw/zinc/07/15/13/1215071513.db2.gz JQIAWYXDSRBSLJ-TWMKSMIVSA-N 1 2 333.382 2.238 20 30 EEEDLO CC(C)[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114709147 1215071517 /nfs/dbraw/zinc/07/15/17/1215071517.db2.gz JQIAWYXDSRBSLJ-TWMKSMIVSA-N 1 2 333.382 2.238 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3F)CC2)cn1 ZINC000957381621 1215090597 /nfs/dbraw/zinc/09/05/97/1215090597.db2.gz UMMMKKXPLLFREX-UHFFFAOYSA-N 1 2 337.398 2.203 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001114766788 1215252458 /nfs/dbraw/zinc/25/24/58/1215252458.db2.gz MSDWHTWCGSVYAC-RFUYNDQBSA-N 1 2 344.459 2.296 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001015726796 1225599354 /nfs/dbraw/zinc/59/93/54/1225599354.db2.gz LFKWZKYIWZKLPD-JLSDUUJJSA-N 1 2 346.858 2.307 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001015726796 1225599357 /nfs/dbraw/zinc/59/93/57/1225599357.db2.gz LFKWZKYIWZKLPD-JLSDUUJJSA-N 1 2 346.858 2.307 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)c1cc[nH]n1 ZINC000960434697 1216576046 /nfs/dbraw/zinc/57/60/46/1216576046.db2.gz VWQFXMWZPYYIQF-INIZCTEOSA-N 1 2 341.390 2.157 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)c1cc[nH]n1 ZINC000960434697 1216576047 /nfs/dbraw/zinc/57/60/47/1216576047.db2.gz VWQFXMWZPYYIQF-INIZCTEOSA-N 1 2 341.390 2.157 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000960434697 1216576049 /nfs/dbraw/zinc/57/60/49/1216576049.db2.gz VWQFXMWZPYYIQF-INIZCTEOSA-N 1 2 341.390 2.157 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000960434697 1216576050 /nfs/dbraw/zinc/57/60/50/1216576050.db2.gz VWQFXMWZPYYIQF-INIZCTEOSA-N 1 2 341.390 2.157 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cnnn1CC ZINC000960827217 1216927401 /nfs/dbraw/zinc/92/74/01/1216927401.db2.gz OARUDDCLGKDMHM-CRAIPNDOSA-N 1 2 333.480 2.323 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cnnn1CC ZINC000960827217 1216927405 /nfs/dbraw/zinc/92/74/05/1216927405.db2.gz OARUDDCLGKDMHM-CRAIPNDOSA-N 1 2 333.480 2.323 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccc(C)cc1 ZINC000960869203 1216953815 /nfs/dbraw/zinc/95/38/15/1216953815.db2.gz FMTJOLMLVWVBSO-QLPKVWCKSA-N 1 2 349.272 2.493 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccc(C)cc1 ZINC000960869203 1216953818 /nfs/dbraw/zinc/95/38/18/1216953818.db2.gz 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332.454 2.471 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001007650989 1222347063 /nfs/dbraw/zinc/34/70/63/1222347063.db2.gz QDMGTNWTAPICHV-LSDHHAIUSA-N 1 2 336.867 2.087 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001007650989 1222347068 /nfs/dbraw/zinc/34/70/68/1222347068.db2.gz QDMGTNWTAPICHV-LSDHHAIUSA-N 1 2 336.867 2.087 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnc(C)nc3)C2)cc1 ZINC001008147405 1222651778 /nfs/dbraw/zinc/65/17/78/1222651778.db2.gz KNZAEVMLYALFKV-LJQANCHMSA-N 1 2 334.423 2.161 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnc(C)nc3)C2)cc1 ZINC001008147405 1222651781 /nfs/dbraw/zinc/65/17/81/1222651781.db2.gz KNZAEVMLYALFKV-LJQANCHMSA-N 1 2 334.423 2.161 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)n1C ZINC001008312250 1222753713 /nfs/dbraw/zinc/75/37/13/1222753713.db2.gz XKVVMIVAGNKVFT-CYBMUJFWSA-N 1 2 343.456 2.056 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)n1C 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C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2csc3nccn23)C1 ZINC001009540367 1223279125 /nfs/dbraw/zinc/27/91/25/1223279125.db2.gz IDADRHCQRRVIAH-LBPRGKRZSA-N 1 2 338.864 2.271 20 30 EEEDLO Cc1nccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001009558827 1223285152 /nfs/dbraw/zinc/28/51/52/1223285152.db2.gz JKOVMTHMCVBPIY-ZDUSSCGKSA-N 1 2 341.440 2.113 20 30 EEEDLO Cc1nccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001009558827 1223285153 /nfs/dbraw/zinc/28/51/53/1223285153.db2.gz JKOVMTHMCVBPIY-ZDUSSCGKSA-N 1 2 341.440 2.113 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CCCO1 ZINC001010061054 1223530814 /nfs/dbraw/zinc/53/08/14/1223530814.db2.gz PMEXOKUPOSIZFV-IAGOWNOFSA-N 1 2 332.831 2.061 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CCCO1 ZINC001010061054 1223530815 /nfs/dbraw/zinc/53/08/15/1223530815.db2.gz PMEXOKUPOSIZFV-IAGOWNOFSA-N 1 2 332.831 2.061 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccccc3O)C2)s1 ZINC001010269474 1223636009 /nfs/dbraw/zinc/63/60/09/1223636009.db2.gz NAIUBIKORXZUJE-LBPRGKRZSA-N 1 2 327.409 2.330 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccccc3O)C2)s1 ZINC001010269474 1223636010 /nfs/dbraw/zinc/63/60/10/1223636010.db2.gz NAIUBIKORXZUJE-LBPRGKRZSA-N 1 2 327.409 2.330 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010647443 1223830827 /nfs/dbraw/zinc/83/08/27/1223830827.db2.gz ZHXFRCZVWHNHCU-CYBMUJFWSA-N 1 2 327.388 2.002 20 30 EEEDLO CC(C)c1ocnc1C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010647443 1223830831 /nfs/dbraw/zinc/83/08/31/1223830831.db2.gz ZHXFRCZVWHNHCU-CYBMUJFWSA-N 1 2 327.388 2.002 20 30 EEEDLO Cc1ccn(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010771049 1223899678 /nfs/dbraw/zinc/89/96/78/1223899678.db2.gz SKPIXYKVTBZOHV-MRXNPFEDSA-N 1 2 340.402 2.349 20 30 EEEDLO Cc1ccn(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010771049 1223899681 /nfs/dbraw/zinc/89/96/81/1223899681.db2.gz SKPIXYKVTBZOHV-MRXNPFEDSA-N 1 2 340.402 2.349 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cccc3nsnc32)C1 ZINC001016446116 1226489607 /nfs/dbraw/zinc/48/96/07/1226489607.db2.gz HGPCAQPFAHZCAZ-LBPRGKRZSA-N 1 2 336.848 2.177 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cccc3nsnc32)C1 ZINC001016446116 1226489610 /nfs/dbraw/zinc/48/96/10/1226489610.db2.gz HGPCAQPFAHZCAZ-LBPRGKRZSA-N 1 2 336.848 2.177 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c(C)nn1 ZINC001014558542 1226771107 /nfs/dbraw/zinc/77/11/07/1226771107.db2.gz LKMDXBSJLLTBRY-CYBMUJFWSA-N 1 2 341.440 2.031 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c(C)nn1 ZINC001014558542 1226771113 /nfs/dbraw/zinc/77/11/13/1226771113.db2.gz LKMDXBSJLLTBRY-CYBMUJFWSA-N 1 2 341.440 2.031 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2COc3ccccc3O2)C1 ZINC001014583489 1226807816 /nfs/dbraw/zinc/80/78/16/1226807816.db2.gz GWXFGLMVBMSJBE-UONOGXRCSA-N 1 2 336.819 2.160 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2COc3ccccc3O2)C1 ZINC001014583489 1226807819 /nfs/dbraw/zinc/80/78/19/1226807819.db2.gz GWXFGLMVBMSJBE-UONOGXRCSA-N 1 2 336.819 2.160 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2NC(C)=O)C1 ZINC001014636941 1226867273 /nfs/dbraw/zinc/86/72/73/1226867273.db2.gz DGWWFQYDOOEPND-CYBMUJFWSA-N 1 2 339.798 2.341 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2NC(C)=O)C1 ZINC001014636941 1226867276 /nfs/dbraw/zinc/86/72/76/1226867276.db2.gz DGWWFQYDOOEPND-CYBMUJFWSA-N 1 2 339.798 2.341 20 30 EEEDLO C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001017554537 1227517167 /nfs/dbraw/zinc/51/71/67/1227517167.db2.gz CLQVKIFQURUNHZ-OWCLPIDISA-N 1 2 328.460 2.471 20 30 EEEDLO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001017554537 1227517171 /nfs/dbraw/zinc/51/71/71/1227517171.db2.gz CLQVKIFQURUNHZ-OWCLPIDISA-N 1 2 328.460 2.471 20 30 EEEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1nc(C2CCCC2)no1 ZINC001054659863 1248820604 /nfs/dbraw/zinc/82/06/04/1248820604.db2.gz SWTJMGJAOKLSCW-XJKSGUPXSA-N 1 2 342.443 2.077 20 30 EEEDLO C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]cc1C(F)(F)F ZINC001017611805 1227571601 /nfs/dbraw/zinc/57/16/01/1227571601.db2.gz ZQLIHNVNRCZCGP-PHIMTYICSA-N 1 2 328.338 2.293 20 30 EEEDLO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]cc1C(F)(F)F ZINC001017611805 1227571608 /nfs/dbraw/zinc/57/16/08/1227571608.db2.gz ZQLIHNVNRCZCGP-PHIMTYICSA-N 1 2 328.338 2.293 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](CNc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001054661885 1248824432 /nfs/dbraw/zinc/82/44/32/1248824432.db2.gz MARMJDUJPCCQSO-DZUCGIPZSA-N 1 2 344.459 2.273 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n([C@H](C)CC)n1 ZINC001017692113 1227643334 /nfs/dbraw/zinc/64/33/34/1227643334.db2.gz YLYHIVJLLAGKQN-OIISXLGYSA-N 1 2 328.460 2.475 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n([C@H](C)CC)n1 ZINC001017692113 1227643338 /nfs/dbraw/zinc/64/33/38/1227643338.db2.gz YLYHIVJLLAGKQN-OIISXLGYSA-N 1 2 328.460 2.475 20 30 EEEDLO Cc1cc(N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)nc(C(C)C)[nH+]1 ZINC001058322673 1248864851 /nfs/dbraw/zinc/86/48/51/1248864851.db2.gz HKQLBSMLUMVVMC-CQSZACIVSA-N 1 2 338.415 2.117 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH2+]Cc3noc(-c4ccoc4)n3)C2)C1 ZINC001019352173 1229020205 /nfs/dbraw/zinc/02/02/05/1229020205.db2.gz FWMOVJWEHSQHJC-AWEZNQCLSA-N 1 2 342.399 2.376 20 30 EEEDLO CC(C)c1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001038153302 1229668154 /nfs/dbraw/zinc/66/81/54/1229668154.db2.gz OMKBAABIFVTNLR-INIZCTEOSA-N 1 2 337.427 2.409 20 30 EEEDLO CC(C)c1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001038153302 1229668156 /nfs/dbraw/zinc/66/81/56/1229668156.db2.gz OMKBAABIFVTNLR-INIZCTEOSA-N 1 2 337.427 2.409 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2Cc3ccccc3O2)c1 ZINC001038477636 1229858217 /nfs/dbraw/zinc/85/82/17/1229858217.db2.gz WWSNXPGTRKLDNB-UYAOXDASSA-N 1 2 347.418 2.252 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2Cc3ccccc3O2)c1 ZINC001038477636 1229858221 /nfs/dbraw/zinc/85/82/21/1229858221.db2.gz WWSNXPGTRKLDNB-UYAOXDASSA-N 1 2 347.418 2.252 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038527156 1229897267 /nfs/dbraw/zinc/89/72/67/1229897267.db2.gz AXWKGTANCOYZER-WQVCFCJDSA-N 1 2 333.457 2.125 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038527156 1229897272 /nfs/dbraw/zinc/89/72/72/1229897272.db2.gz AXWKGTANCOYZER-WQVCFCJDSA-N 1 2 333.457 2.125 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038527155 1229897506 /nfs/dbraw/zinc/89/75/06/1229897506.db2.gz AXWKGTANCOYZER-MAZHCROVSA-N 1 2 333.457 2.125 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038527155 1229897509 /nfs/dbraw/zinc/89/75/09/1229897509.db2.gz AXWKGTANCOYZER-MAZHCROVSA-N 1 2 333.457 2.125 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C(N)=O)c2)CC1 ZINC001038662234 1229958764 /nfs/dbraw/zinc/95/87/64/1229958764.db2.gz PHHGLENVRKIINC-SFHVURJKSA-N 1 2 341.455 2.222 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C(N)=O)c2)CC1 ZINC001038662234 1229958766 /nfs/dbraw/zinc/95/87/66/1229958766.db2.gz PHHGLENVRKIINC-SFHVURJKSA-N 1 2 341.455 2.222 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1c(C)noc1CC ZINC001038796127 1230063212 /nfs/dbraw/zinc/06/32/12/1230063212.db2.gz DESNMWCOELHELH-MPGHIAIKSA-N 1 2 347.459 2.217 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1c(C)noc1CC ZINC001038796127 1230063217 /nfs/dbraw/zinc/06/32/17/1230063217.db2.gz DESNMWCOELHELH-MPGHIAIKSA-N 1 2 347.459 2.217 20 30 EEEDLO CCc1nc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)c(C)o1 ZINC001038804134 1230068708 /nfs/dbraw/zinc/06/87/08/1230068708.db2.gz LREXKQPEZZBMSR-MRXNPFEDSA-N 1 2 338.411 2.421 20 30 EEEDLO CCc1nc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)c(C)o1 ZINC001038804134 1230068712 /nfs/dbraw/zinc/06/87/12/1230068712.db2.gz LREXKQPEZZBMSR-MRXNPFEDSA-N 1 2 338.411 2.421 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ncc3n2CCCC3)c1 ZINC001039039029 1230255614 /nfs/dbraw/zinc/25/56/14/1230255614.db2.gz JUYOPTPBBZDPMW-QGZVFWFLSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ncc3n2CCCC3)c1 ZINC001039039029 1230255617 /nfs/dbraw/zinc/25/56/17/1230255617.db2.gz JUYOPTPBBZDPMW-QGZVFWFLSA-N 1 2 349.438 2.095 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cnn(C)n1)C2 ZINC001040368335 1231189293 /nfs/dbraw/zinc/18/92/93/1231189293.db2.gz FMUWPCSLYZDYCM-OALUTQOASA-N 1 2 345.491 2.232 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cnn(C)n1)C2 ZINC001040368335 1231189295 /nfs/dbraw/zinc/18/92/95/1231189295.db2.gz FMUWPCSLYZDYCM-OALUTQOASA-N 1 2 345.491 2.232 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)c3c[nH]c(C)cc3=O)C2)C1 ZINC001040478285 1231253561 /nfs/dbraw/zinc/25/35/61/1231253561.db2.gz FNUIXUBWQOVRLZ-SFHVURJKSA-N 1 2 349.862 2.364 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)c3c[nH]c(C)cc3=O)C2)C1 ZINC001040478285 1231253564 /nfs/dbraw/zinc/25/35/64/1231253564.db2.gz FNUIXUBWQOVRLZ-SFHVURJKSA-N 1 2 349.862 2.364 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3cn(C(C)C)nn3)C2)C1 ZINC001041542012 1231588004 /nfs/dbraw/zinc/58/80/04/1231588004.db2.gz AVTFFCYDQMHXHN-LJQANCHMSA-N 1 2 345.491 2.496 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](Cc3cn(C(C)C)nn3)C2)C1 ZINC001041542012 1231588007 /nfs/dbraw/zinc/58/80/07/1231588007.db2.gz AVTFFCYDQMHXHN-LJQANCHMSA-N 1 2 345.491 2.496 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3ncnn3CCC)[C@H]2C1 ZINC001042186446 1231944612 /nfs/dbraw/zinc/94/46/12/1231944612.db2.gz HIJBUKDCWGRCGA-HOTGVXAUSA-N 1 2 345.491 2.323 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3ncnn3CCC)[C@H]2C1 ZINC001042186446 1231944614 /nfs/dbraw/zinc/94/46/14/1231944614.db2.gz HIJBUKDCWGRCGA-HOTGVXAUSA-N 1 2 345.491 2.323 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4nnc(C)[nH]4)[C@@H]3C2)CC1 ZINC001042215701 1231960815 /nfs/dbraw/zinc/96/08/15/1231960815.db2.gz GASCEMWLARJTER-DOTOQJQBSA-N 1 2 343.475 2.282 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]3CC[N@H+](Cc4nnc(C)[nH]4)[C@@H]3C2)CC1 ZINC001042215701 1231960816 /nfs/dbraw/zinc/96/08/16/1231960816.db2.gz GASCEMWLARJTER-DOTOQJQBSA-N 1 2 343.475 2.282 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4nc(CC)no4)[C@@H]3C2)C1 ZINC001042223997 1231966188 /nfs/dbraw/zinc/96/61/88/1231966188.db2.gz IGEBIOBLLHOODV-LSDHHAIUSA-N 1 2 344.459 2.411 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@H+](Cc4nc(CC)no4)[C@@H]3C2)C1 ZINC001042223997 1231966190 /nfs/dbraw/zinc/96/61/90/1231966190.db2.gz IGEBIOBLLHOODV-LSDHHAIUSA-N 1 2 344.459 2.411 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](CCOc2ccccc2)C1 ZINC001042741443 1232153782 /nfs/dbraw/zinc/15/37/82/1232153782.db2.gz QLMKSUOGJZNCBE-MOPGFXCFSA-N 1 2 344.455 2.189 20 30 EEEDLO CN(C(=O)C1CC2(CC2)C1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001043826243 1232594192 /nfs/dbraw/zinc/59/41/92/1232594192.db2.gz 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EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc2c(cccc2OC)[nH]1 ZINC001051242968 1245432078 /nfs/dbraw/zinc/43/20/78/1245432078.db2.gz ZBQNPZJRGBOMIY-AWEZNQCLSA-N 1 2 343.427 2.183 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCOC2(C[NH+](Cc3ccccc3C3CC3)C2)C1 ZINC001053190897 1246029645 /nfs/dbraw/zinc/02/96/45/1246029645.db2.gz HQDBBUIKALKLTN-OAHLLOKOSA-N 1 2 339.439 2.137 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)CCC1CCC1)c1nccn12 ZINC001101620324 1246051104 /nfs/dbraw/zinc/05/11/04/1246051104.db2.gz HKFXJZIAZBMKEF-INIZCTEOSA-N 1 2 326.444 2.059 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H](C)C(F)(F)F)c1nccn12 ZINC001101640718 1246073180 /nfs/dbraw/zinc/07/31/80/1246073180.db2.gz DTGANSKRYCPHGA-NWDGAFQWSA-N 1 2 342.365 2.230 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccnc(CCC)c1)CCO2 ZINC001053296898 1246154131 /nfs/dbraw/zinc/15/41/31/1246154131.db2.gz CGGHWGAFKWJIDX-UHFFFAOYSA-N 1 2 329.444 2.137 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccn3ccccc13)CCO2 ZINC001053336840 1246204069 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345.531 2.445 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1scnc1CC)O2 ZINC001053609094 1246527332 /nfs/dbraw/zinc/52/73/32/1246527332.db2.gz UGIKAXCFDYQYGZ-ZDUSSCGKSA-N 1 2 335.473 2.245 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3ccncc3s1)O2 ZINC001053611312 1246532040 /nfs/dbraw/zinc/53/20/40/1246532040.db2.gz OTMXKVSWOOZMDG-AWEZNQCLSA-N 1 2 343.452 2.446 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc[nH]c1C1CCC1)O2 ZINC001053662839 1246608698 /nfs/dbraw/zinc/60/86/98/1246608698.db2.gz XHDBULNYFMBKGS-OAHLLOKOSA-N 1 2 329.444 2.431 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1noc3c1CCCC3)O2 ZINC001053668586 1246616014 /nfs/dbraw/zinc/61/60/14/1246616014.db2.gz NANRORVUICOWEJ-CQSZACIVSA-N 1 2 345.443 2.093 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C)n(C(C)C)n1)O2 ZINC001053704912 1246685287 /nfs/dbraw/zinc/68/52/87/1246685287.db2.gz RHVSZXMFQOHWNY-INIZCTEOSA-N 1 2 346.475 2.312 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(N(C)C)cc1F)CO2 ZINC001053830245 1246862684 /nfs/dbraw/zinc/86/26/84/1246862684.db2.gz VCPLOZIOHUKIEW-CQSZACIVSA-N 1 2 347.434 2.041 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)n([C@@H](C)CC)n1)CO2 ZINC001053853601 1246912975 /nfs/dbraw/zinc/91/29/75/1246912975.db2.gz JMVIIOLFUDHSMP-GOEBONIOSA-N 1 2 346.475 2.312 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3[nH]nc(C)c3c1)CO2 ZINC001053867637 1246938444 /nfs/dbraw/zinc/93/84/44/1246938444.db2.gz OJFARKJRYAHISK-HNNXBMFYSA-N 1 2 340.427 2.021 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1([C@@H]3CCCCO3)CCC1)CO2 ZINC001053868027 1246939905 /nfs/dbraw/zinc/93/99/05/1246939905.db2.gz AHBKKSIYBPBNTI-IRXDYDNUSA-N 1 2 348.487 2.261 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1([C@H]3CCCCO3)CCC1)CO2 ZINC001053868026 1246939961 /nfs/dbraw/zinc/93/99/61/1246939961.db2.gz AHBKKSIYBPBNTI-IAGOWNOFSA-N 1 2 348.487 2.261 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3ccc(C)cc3[nH]1)CO2 ZINC001053884834 1246964661 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2.212 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3ccccc3n1)CO2 ZINC001053990464 1247117955 /nfs/dbraw/zinc/11/79/55/1247117955.db2.gz BMPSFGBPYDVFOS-MRXNPFEDSA-N 1 2 337.423 2.384 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc(C(C)C)s1)CO2 ZINC001054025836 1247167023 /nfs/dbraw/zinc/16/70/23/1247167023.db2.gz JOMNVKZWEWVGJZ-ZDUSSCGKSA-N 1 2 335.473 2.416 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(F)cn1 ZINC001054039404 1247197519 /nfs/dbraw/zinc/19/75/19/1247197519.db2.gz AHSFKFXGLDEULW-GOSISDBHSA-N 1 2 337.398 2.401 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(F)cn1 ZINC001054039404 1247197530 /nfs/dbraw/zinc/19/75/30/1247197530.db2.gz AHSFKFXGLDEULW-GOSISDBHSA-N 1 2 337.398 2.401 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ncccc1CC ZINC001054045954 1247222222 /nfs/dbraw/zinc/22/22/22/1247222222.db2.gz ZUUZUOMIRYXGGW-IBGZPJMESA-N 1 2 333.435 2.434 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ncccc1CC ZINC001054045954 1247222229 /nfs/dbraw/zinc/22/22/29/1247222229.db2.gz ZUUZUOMIRYXGGW-IBGZPJMESA-N 1 2 333.435 2.434 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001054051596 1247239747 /nfs/dbraw/zinc/23/97/47/1247239747.db2.gz GLJBBOVHORONIL-HNNXBMFYSA-N 1 2 327.815 2.458 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001054051596 1247239761 /nfs/dbraw/zinc/23/97/61/1247239761.db2.gz GLJBBOVHORONIL-HNNXBMFYSA-N 1 2 327.815 2.458 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@]2(CC[N@H+](Cc3cnon3)C2)C1 ZINC001054192058 1247669133 /nfs/dbraw/zinc/66/91/33/1247669133.db2.gz QOMQPURPOQDCAH-MSOLQXFVSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cnon3)C2)C1 ZINC001054192058 1247669147 /nfs/dbraw/zinc/66/91/47/1247669147.db2.gz QOMQPURPOQDCAH-MSOLQXFVSA-N 1 2 332.448 2.486 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCn4ccnc4C3)cc2C1 ZINC001054271631 1247966124 /nfs/dbraw/zinc/96/61/24/1247966124.db2.gz TWQFNHHBHYCSIB-KRWDZBQOSA-N 1 2 348.450 2.101 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HJNFUYSIIIEMRC-DGCLKSJQSA-N 1 2 328.254 2.368 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)C#N ZINC001157695612 1318800578 /nfs/dbraw/zinc/80/05/78/1318800578.db2.gz HJNFUYSIIIEMRC-DGCLKSJQSA-N 1 2 328.254 2.368 20 30 EEEDLO C=CCOCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccn(C)n1 ZINC001157784540 1318858894 /nfs/dbraw/zinc/85/88/94/1318858894.db2.gz NZHCKNPCEJQRFU-GOSISDBHSA-N 1 2 348.491 2.216 20 30 EEEDLO C=CCOCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccn(C)n1 ZINC001157784540 1318858918 /nfs/dbraw/zinc/85/89/18/1318858918.db2.gz NZHCKNPCEJQRFU-GOSISDBHSA-N 1 2 348.491 2.216 20 30 EEEDLO Cn1cc(CN2CCC23C[NH+](Cc2cnc4[nH]ccc4c2)C3)cc1C#N ZINC001278987196 1318922969 /nfs/dbraw/zinc/92/29/69/1318922969.db2.gz SMPLYQRIKBBIAC-UHFFFAOYSA-N 1 2 346.438 2.233 20 30 EEEDLO Cc1noc([C@@H](C)[N@@H+]2CC=C(CCNC(=O)C#CC(C)C)CC2)n1 ZINC001160062705 1320060350 /nfs/dbraw/zinc/06/03/50/1320060350.db2.gz VSBXSAJFVWOZIF-CQSZACIVSA-N 1 2 330.432 2.237 20 30 EEEDLO Cc1noc([C@@H](C)[N@H+]2CC=C(CCNC(=O)C#CC(C)C)CC2)n1 ZINC001160062705 1320060355 /nfs/dbraw/zinc/06/03/55/1320060355.db2.gz VSBXSAJFVWOZIF-CQSZACIVSA-N 1 2 330.432 2.237 20 30 EEEDLO C=C(C)CCC(=O)NCCC1=CC[N@H+]([C@@H](C)c2nncn2C)CC1 ZINC001160264685 1320115902 /nfs/dbraw/zinc/11/59/02/1320115902.db2.gz XRKJXTMFYHLWMG-HNNXBMFYSA-N 1 2 331.464 2.371 20 30 EEEDLO C=C(C)CCC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nncn2C)CC1 ZINC001160264685 1320115906 /nfs/dbraw/zinc/11/59/06/1320115906.db2.gz XRKJXTMFYHLWMG-HNNXBMFYSA-N 1 2 331.464 2.371 20 30 EEEDLO C#CCOCCOCCNc1[nH+]ccc2ccc(C(=O)OC)cc21 ZINC001160673215 1320228661 /nfs/dbraw/zinc/22/86/61/1320228661.db2.gz CHMKJHGCUDBQQJ-UHFFFAOYSA-N 1 2 328.368 2.100 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2cn(CC)nn2)CC1 ZINC001160941172 1320324189 /nfs/dbraw/zinc/32/41/89/1320324189.db2.gz KPIOKDFUOPFSNA-JKSUJKDBSA-N 1 2 345.491 2.395 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2cn(CC)nn2)CC1 ZINC001160941172 1320324194 /nfs/dbraw/zinc/32/41/94/1320324194.db2.gz KPIOKDFUOPFSNA-JKSUJKDBSA-N 1 2 345.491 2.395 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2nnc(C)o2)CC1 ZINC001160942087 1320325601 /nfs/dbraw/zinc/32/56/01/1320325601.db2.gz VRKLFWYYPODFEE-KGLIPLIRSA-N 1 2 332.448 2.475 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nnc(C)o2)CC1 ZINC001160942087 1320325605 /nfs/dbraw/zinc/32/56/05/1320325605.db2.gz VRKLFWYYPODFEE-KGLIPLIRSA-N 1 2 332.448 2.475 20 30 EEEDLO CC#CCCCC(=O)NCCC1=CC[N@H+](Cc2ncccn2)CC1 ZINC001160946445 1320327104 /nfs/dbraw/zinc/32/71/04/1320327104.db2.gz FLEWALBECTVJPQ-UHFFFAOYSA-N 1 2 326.444 2.309 20 30 EEEDLO CC#CCCCC(=O)NCCC1=CC[N@@H+](Cc2ncccn2)CC1 ZINC001160946445 1320327107 /nfs/dbraw/zinc/32/71/07/1320327107.db2.gz FLEWALBECTVJPQ-UHFFFAOYSA-N 1 2 326.444 2.309 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1=CC[N@H+](Cc2ccon2)CC1 ZINC001161444395 1320503069 /nfs/dbraw/zinc/50/30/69/1320503069.db2.gz DDGLJVRIMYCRHO-ROUUACIJSA-N 1 2 345.443 2.294 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1=CC[N@@H+](Cc2ccon2)CC1 ZINC001161444395 1320503074 /nfs/dbraw/zinc/50/30/74/1320503074.db2.gz DDGLJVRIMYCRHO-ROUUACIJSA-N 1 2 345.443 2.294 20 30 EEEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1nc(Cl)c(Cl)cc1C#N ZINC001162850440 1320974309 /nfs/dbraw/zinc/97/43/09/1320974309.db2.gz XMFAUUZRISBSCY-VIFPVBQESA-N 1 2 331.203 2.341 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCOC(C)(C)C1 ZINC001263342440 1322466004 /nfs/dbraw/zinc/46/60/04/1322466004.db2.gz UUTDAQLQLFZRJE-UHFFFAOYSA-N 1 2 333.480 2.455 20 30 EEEDLO CC(C)OCCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206137105 1323401660 /nfs/dbraw/zinc/40/16/60/1323401660.db2.gz KYNRWGMOAUUYDC-RDTXWAMCSA-N 1 2 347.434 2.449 20 30 EEEDLO CC(C)OCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206137105 1323401665 /nfs/dbraw/zinc/40/16/65/1323401665.db2.gz KYNRWGMOAUUYDC-RDTXWAMCSA-N 1 2 347.434 2.449 20 30 EEEDLO COc1ccc(C#N)c(-c2cc(C[NH+]3CCOCC3)ccc2OC)n1 ZINC001206540916 1323527313 /nfs/dbraw/zinc/52/73/13/1323527313.db2.gz WETBEXBHVJBKJU-UHFFFAOYSA-N 1 2 339.395 2.470 20 30 EEEDLO Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)nc2ccccc12 ZINC001206646329 1323553029 /nfs/dbraw/zinc/55/30/29/1323553029.db2.gz KAOKPBDLTHEIOO-OGHNNQOOSA-N 1 2 337.427 2.034 20 30 EEEDLO Cc1nc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)nc2ccccc12 ZINC001206646329 1323553035 /nfs/dbraw/zinc/55/30/35/1323553035.db2.gz KAOKPBDLTHEIOO-OGHNNQOOSA-N 1 2 337.427 2.034 20 30 EEEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001206968248 1323756328 /nfs/dbraw/zinc/75/63/28/1323756328.db2.gz WQOCZMGQYTVNMA-SJLPKXTDSA-N 1 2 348.491 2.120 20 30 EEEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1C ZINC001206968248 1323756330 /nfs/dbraw/zinc/75/63/30/1323756330.db2.gz WQOCZMGQYTVNMA-SJLPKXTDSA-N 1 2 348.491 2.120 20 30 EEEDLO Cn1cc(C[N@@H+]2CC[C@@H](n3cc(Br)cn3)C2)cc1C#N ZINC001207108209 1323854339 /nfs/dbraw/zinc/85/43/39/1323854339.db2.gz HZBJIRPXTURFKE-CYBMUJFWSA-N 1 2 334.221 2.303 20 30 EEEDLO Cn1cc(C[N@H+]2CC[C@@H](n3cc(Br)cn3)C2)cc1C#N ZINC001207108209 1323854344 /nfs/dbraw/zinc/85/43/44/1323854344.db2.gz HZBJIRPXTURFKE-CYBMUJFWSA-N 1 2 334.221 2.303 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N1CCC(C)CC1 ZINC001316600808 1324068750 /nfs/dbraw/zinc/06/87/50/1324068750.db2.gz MENJIBVJXJPJHJ-IRXDYDNUSA-N 1 2 349.519 2.378 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N1CCC(C)CC1 ZINC001316600808 1324068755 /nfs/dbraw/zinc/06/87/55/1324068755.db2.gz MENJIBVJXJPJHJ-IRXDYDNUSA-N 1 2 349.519 2.378 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2ccn(CC)n2)C[C@H]1C ZINC001208150025 1324339092 /nfs/dbraw/zinc/33/90/92/1324339092.db2.gz NBYXOQRWRJHGGT-SUMDDJOVSA-N 1 2 348.491 2.068 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(CC)n2)C[C@H]1C ZINC001208150025 1324339096 /nfs/dbraw/zinc/33/90/96/1324339096.db2.gz NBYXOQRWRJHGGT-SUMDDJOVSA-N 1 2 348.491 2.068 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(CC)n2)C[C@H]1C ZINC001208315173 1324416606 /nfs/dbraw/zinc/41/66/06/1324416606.db2.gz NJKUWKGZYYDCIQ-SJLPKXTDSA-N 1 2 330.476 2.423 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(CC)n2)C[C@H]1C ZINC001208315173 1324416609 /nfs/dbraw/zinc/41/66/09/1324416609.db2.gz NJKUWKGZYYDCIQ-SJLPKXTDSA-N 1 2 330.476 2.423 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2)C[C@H]1C ZINC001208452345 1324504859 /nfs/dbraw/zinc/50/48/59/1324504859.db2.gz GXCUEJANXAZYBS-NVXWUHKLSA-N 1 2 329.444 2.418 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2)C[C@H]1C ZINC001208452345 1324504861 /nfs/dbraw/zinc/50/48/61/1324504861.db2.gz GXCUEJANXAZYBS-NVXWUHKLSA-N 1 2 329.444 2.418 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001209375476 1324915094 /nfs/dbraw/zinc/91/50/94/1324915094.db2.gz UCAIVDPTKOZQIF-HNNXBMFYSA-N 1 2 332.448 2.459 20 30 EEEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2c(C)nc3ccccn32)CC1 ZINC001209652087 1325000612 /nfs/dbraw/zinc/00/06/12/1325000612.db2.gz UGAURAARBJEVTI-UHFFFAOYSA-N 1 2 326.400 2.312 20 30 EEEDLO COC(=O)c1ccc(-c2ccc(CN3CC[NH2+]C[C@H]3C#N)cc2)cc1 ZINC001210121900 1325167382 /nfs/dbraw/zinc/16/73/82/1325167382.db2.gz NJISRBLZNJRIPB-LJQANCHMSA-N 1 2 335.407 2.438 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCCC2=CCCCC2)C1 ZINC001316984099 1332029591 /nfs/dbraw/zinc/02/95/91/1332029591.db2.gz DICWTRGCLKSENL-KRWDZBQOSA-N 1 2 347.503 2.396 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCCC2=CCCCC2)C1 ZINC001316984099 1332029594 /nfs/dbraw/zinc/02/95/94/1332029594.db2.gz DICWTRGCLKSENL-KRWDZBQOSA-N 1 2 347.503 2.396 20 30 EEEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@@](C)(c2ccccc2C)C1=O ZINC001319457780 1332705131 /nfs/dbraw/zinc/70/51/31/1332705131.db2.gz QQFVWMVMYYXRRZ-IBGZPJMESA-N 1 2 325.412 2.065 20 30 EEEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@@](C)(c2ccccc2C)C1=O ZINC001319457780 1332705133 /nfs/dbraw/zinc/70/51/33/1332705133.db2.gz QQFVWMVMYYXRRZ-IBGZPJMESA-N 1 2 325.412 2.065 20 30 EEEDLO C=CC[C@H]([NH2+]CC1(C)CCN(C(=O)OCC)CC1)C(=O)OCC ZINC001331727802 1335063875 /nfs/dbraw/zinc/06/38/75/1335063875.db2.gz IRUULTOCPXLJMN-AWEZNQCLSA-N 1 2 326.437 2.342 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@H](C)C1CC1 ZINC001338851389 1336919634 /nfs/dbraw/zinc/91/96/34/1336919634.db2.gz NCTAVISRPVZABJ-ZBFHGGJFSA-N 1 2 333.480 2.481 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@H](C)C1CC1 ZINC001338851389 1336919635 /nfs/dbraw/zinc/91/96/35/1336919635.db2.gz NCTAVISRPVZABJ-ZBFHGGJFSA-N 1 2 333.480 2.481 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(C[C@H]3CCc4ccccc43)n2CC)CC1 ZINC001340185547 1337134490 /nfs/dbraw/zinc/13/44/90/1337134490.db2.gz RLJBASODAVJSMW-GOSISDBHSA-N 1 2 349.482 2.326 20 30 EEEDLO C=C(C)Cn1c(-c2coc(C)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001343823038 1337350967 /nfs/dbraw/zinc/35/09/67/1337350967.db2.gz NINUDMLRKYTZRR-UHFFFAOYSA-N 1 2 345.447 2.191 20 30 EEEDLO C=CCN(C)c1nnc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC(=C)C ZINC001343947208 1337358581 /nfs/dbraw/zinc/35/85/81/1337358581.db2.gz JESXQFWUTZJFAB-HOTGVXAUSA-N 1 2 331.464 2.402 20 30 EEEDLO C=CCN(C)c1nnc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC(=C)C ZINC001343947208 1337358584 /nfs/dbraw/zinc/35/85/84/1337358584.db2.gz JESXQFWUTZJFAB-HOTGVXAUSA-N 1 2 331.464 2.402 20 30 EEEDLO C=CC1CCN(c2nnc([C@@H]3CCC[N@H+]3C)n2C[C@H]2CCOC2)CC1 ZINC001345415520 1337444767 /nfs/dbraw/zinc/44/47/67/1337444767.db2.gz VDLFWJRNDABENB-SJORKVTESA-N 1 2 345.491 2.484 20 30 EEEDLO C=CC1CCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2C[C@H]2CCOC2)CC1 ZINC001345415520 1337444768 /nfs/dbraw/zinc/44/47/68/1337444768.db2.gz VDLFWJRNDABENB-SJORKVTESA-N 1 2 345.491 2.484 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC(COC)CC1 ZINC001351656105 1337834579 /nfs/dbraw/zinc/83/45/79/1337834579.db2.gz BLSRCAURFOJUMA-UHFFFAOYSA-N 1 2 333.480 2.313 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)OC(C)(C)C)n2CC=C)CC1 ZINC001351948925 1337870954 /nfs/dbraw/zinc/87/09/54/1337870954.db2.gz LGLPONZEJUVPSI-OAHLLOKOSA-N 1 2 331.464 2.095 20 30 EEEDLO CCN(CCNC(=O)c1ccn2c(C)c[nH+]c2c1)c1ccc(C#N)cn1 ZINC001100623713 1338566479 /nfs/dbraw/zinc/56/64/79/1338566479.db2.gz BFPAPUFBVSKHSP-UHFFFAOYSA-N 1 2 348.410 2.166 20 30 EEEDLO CC1=C(C(=O)C=Cc2ncc(C[NH+](C)C)s2)[C@H](C)N2NN=NC2=N1 ZINC000848641253 1338735085 /nfs/dbraw/zinc/73/50/85/1338735085.db2.gz BDQNXXCORVBJNY-PORFMDCZSA-N 1 2 345.432 2.007 20 30 EEEDLO COc1cc[nH+]cc1Cn1c(C(C)C)nnc1N(C)C[C@@H](C)C#N ZINC001434700117 1341920482 /nfs/dbraw/zinc/92/04/82/1341920482.db2.gz LJERZIDRMJPWIW-ZDUSSCGKSA-N 1 2 328.420 2.449 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001566662702 1342595571 /nfs/dbraw/zinc/59/55/71/1342595571.db2.gz OEXRQSHDECNDGO-GXTWGEPZSA-N 1 2 338.810 2.208 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001566662702 1342595577 /nfs/dbraw/zinc/59/55/77/1342595577.db2.gz OEXRQSHDECNDGO-GXTWGEPZSA-N 1 2 338.810 2.208 20 30 EEEDLO C#C[C@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC)cc32)C1 ZINC001588332696 1348889698 /nfs/dbraw/zinc/88/96/98/1348889698.db2.gz PVZKJOWNGDNERK-LBPRGKRZSA-N 1 2 334.383 2.273 20 30 EEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1Br ZINC001604013903 1350830284 /nfs/dbraw/zinc/83/02/84/1350830284.db2.gz PHNJAIQCHKXBIZ-LLVKDONJSA-N 1 2 335.209 2.411 20 30 EEEDLO Cc1cc(C(N)=[NH+]OCc2ccc(-c3nn[nH]n3)cc2C)ccc1F ZINC001605633473 1351206247 /nfs/dbraw/zinc/20/62/47/1351206247.db2.gz HFEIVDUUEDALBE-UHFFFAOYSA-N 1 2 340.362 2.460 20 30 EEEDLO COCCC[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001661035355 1354576730 /nfs/dbraw/zinc/57/67/30/1354576730.db2.gz SYGZAFDNHZUDKL-QAPCUYQASA-N 1 2 329.444 2.311 20 30 EEEDLO COCCC[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001661035355 1354576734 /nfs/dbraw/zinc/57/67/34/1354576734.db2.gz SYGZAFDNHZUDKL-QAPCUYQASA-N 1 2 329.444 2.311 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001665505103 1355319531 /nfs/dbraw/zinc/31/95/31/1355319531.db2.gz ILKSRRTTWNYKOG-WBVHZDCISA-N 1 2 335.492 2.086 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001665505103 1355319534 /nfs/dbraw/zinc/31/95/34/1355319534.db2.gz ILKSRRTTWNYKOG-WBVHZDCISA-N 1 2 335.492 2.086 20 30 EEEDLO COC(=O)c1cccc(C[NH+]2CCC3(CC2)OCCCO3)c1C#N ZINC000815158492 1367816728 /nfs/dbraw/zinc/81/67/28/1367816728.db2.gz LUZJTQHXAUBKMA-UHFFFAOYSA-N 1 2 330.384 2.074 20 30 EEEDLO Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H](C)CCCC#N)CC2)cc1 ZINC001172507378 1368125547 /nfs/dbraw/zinc/12/55/47/1368125547.db2.gz SCCABMGJESFJQQ-INIZCTEOSA-N 1 2 335.473 2.384 20 30 EEEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)c3nnc(C)[nH]3)C[C@H]21 ZINC001188808120 1368319680 /nfs/dbraw/zinc/31/96/80/1368319680.db2.gz WEUMUJCGTDCMQU-BHYGNILZSA-N 1 2 343.475 2.291 20 30 EEEDLO C#CCCCCCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3nnc(C)[nH]3)C[C@H]21 ZINC001188808120 1368319684 /nfs/dbraw/zinc/31/96/84/1368319684.db2.gz WEUMUJCGTDCMQU-BHYGNILZSA-N 1 2 343.475 2.291 20 30 EEEDLO N#Cc1ccc(C(=O)N2C[C@@H]3OCC[N@H+](C4CCCC4)[C@H]3C2)s1 ZINC001273698939 1368523088 /nfs/dbraw/zinc/52/30/88/1368523088.db2.gz GMWDPEPUBKFBTE-GJZGRUSLSA-N 1 2 331.441 2.088 20 30 EEEDLO N#Cc1ccc(C(=O)N2C[C@@H]3OCC[N@@H+](C4CCCC4)[C@H]3C2)s1 ZINC001273698939 1368523091 /nfs/dbraw/zinc/52/30/91/1368523091.db2.gz GMWDPEPUBKFBTE-GJZGRUSLSA-N 1 2 331.441 2.088 20 30 EEEDLO C#Cc1cccnc1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000853234110 1369322484 /nfs/dbraw/zinc/32/24/84/1369322484.db2.gz APHVDYQWAPMRHZ-UHFFFAOYSA-N 1 2 337.423 2.386 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCCN1c1cccc(F)c1C#N ZINC001069376384 1370098544 /nfs/dbraw/zinc/09/85/44/1370098544.db2.gz WPNXXMZRWKUACP-CJNGLKHVSA-N 1 2 341.390 2.068 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001070791062 1370364183 /nfs/dbraw/zinc/36/41/83/1370364183.db2.gz AEJPTYGJLFEQED-RBSFLKMASA-N 1 2 344.459 2.223 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001070791062 1370364185 /nfs/dbraw/zinc/36/41/85/1370364185.db2.gz AEJPTYGJLFEQED-RBSFLKMASA-N 1 2 344.459 2.223 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2cocn2)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001071388762 1370496559 /nfs/dbraw/zinc/49/65/59/1370496559.db2.gz MDVWXHCJEAEAQM-RHSMWYFYSA-N 1 2 341.386 2.448 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2cocn2)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC001071388762 1370496565 /nfs/dbraw/zinc/49/65/65/1370496565.db2.gz MDVWXHCJEAEAQM-RHSMWYFYSA-N 1 2 341.386 2.448 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc3c(c2)nnn3C)CC[C@@H]1C ZINC001071613059 1370533896 /nfs/dbraw/zinc/53/38/96/1370533896.db2.gz RBPVFANUYMSCGY-GXTWGEPZSA-N 1 2 347.850 2.304 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc3c(c2)nnn3C)CC[C@@H]1C ZINC001071613059 1370533898 /nfs/dbraw/zinc/53/38/98/1370533898.db2.gz RBPVFANUYMSCGY-GXTWGEPZSA-N 1 2 347.850 2.304 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)c2cncn2C)C[N@@H+]1Cc1ccccc1C#N ZINC001071656239 1370545671 /nfs/dbraw/zinc/54/56/71/1370545671.db2.gz VOXAENDBMRURPV-PBHICJAKSA-N 1 2 337.427 2.075 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)c2cncn2C)C[N@H+]1Cc1ccccc1C#N ZINC001071656239 1370545678 /nfs/dbraw/zinc/54/56/78/1370545678.db2.gz VOXAENDBMRURPV-PBHICJAKSA-N 1 2 337.427 2.075 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@@H+](Cc2ncnn2C(C)C)C3)C1 ZINC001072964274 1370795642 /nfs/dbraw/zinc/79/56/42/1370795642.db2.gz QGDWWUNZFUPICM-UHFFFAOYSA-N 1 2 343.475 2.250 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@H+](Cc2ncnn2C(C)C)C3)C1 ZINC001072964274 1370795654 /nfs/dbraw/zinc/79/56/54/1370795654.db2.gz QGDWWUNZFUPICM-UHFFFAOYSA-N 1 2 343.475 2.250 20 30 EEEDLO Cc1ccc(C#N)c(NC2(CNC(=O)CCc3c[nH]c[nH+]3)CCC2)n1 ZINC001111920594 1371313685 /nfs/dbraw/zinc/31/36/85/1371313685.db2.gz VMJCTWGEWNYRNB-UHFFFAOYSA-N 1 2 338.415 2.068 20 30 EEEDLO Cc1ccc(C#N)c(NC2(CNC(=O)CCc3c[nH+]c[nH]3)CCC2)n1 ZINC001111920594 1371313688 /nfs/dbraw/zinc/31/36/88/1371313688.db2.gz VMJCTWGEWNYRNB-UHFFFAOYSA-N 1 2 338.415 2.068 20 30 EEEDLO Cc1nc(N[C@H](CCNC(=O)c2cc(C#N)c[nH]2)C(C)C)cc[nH+]1 ZINC001115307797 1371566159 /nfs/dbraw/zinc/56/61/59/1371566159.db2.gz YQOKMELXHVJQGG-CQSZACIVSA-N 1 2 326.404 2.241 20 30 EEEDLO C=CCCCC(=O)N(C)C[C@@H](O)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001125236616 1372230999 /nfs/dbraw/zinc/23/09/99/1372230999.db2.gz JFHSRCKKIRGEEJ-MRXNPFEDSA-N 1 2 334.464 2.014 20 30 EEEDLO CCC(=O)Oc1ccc(C[NH+]2CCC(C#N)(C(=O)OC)CC2)cc1 ZINC001138969073 1372450815 /nfs/dbraw/zinc/45/08/15/1372450815.db2.gz OKJWHAZIBWVGSO-UHFFFAOYSA-N 1 2 330.384 2.281 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)cn1 ZINC001140546438 1372599945 /nfs/dbraw/zinc/59/99/45/1372599945.db2.gz IYFMPYSAVBXEJL-MRXNPFEDSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)cn1 ZINC001140546438 1372599959 /nfs/dbraw/zinc/59/99/59/1372599959.db2.gz IYFMPYSAVBXEJL-MRXNPFEDSA-N 1 2 338.386 2.487 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2ccccc2F)[C@@H](O)C1 ZINC001100108162 1372990410 /nfs/dbraw/zinc/99/04/10/1372990410.db2.gz RLKSXWDXFUVBCT-HOTGVXAUSA-N 1 2 340.826 2.062 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2ccccc2F)[C@@H](O)C1 ZINC001100108162 1372990415 /nfs/dbraw/zinc/99/04/15/1372990415.db2.gz RLKSXWDXFUVBCT-HOTGVXAUSA-N 1 2 340.826 2.062 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCOC2(CCC2)C1 ZINC001355929878 1373183857 /nfs/dbraw/zinc/18/38/57/1373183857.db2.gz OXBBUXMOLJGLAZ-OAHLLOKOSA-N 1 2 331.464 2.380 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCOC2(CCC2)C1 ZINC001355929878 1373183860 /nfs/dbraw/zinc/18/38/60/1373183860.db2.gz OXBBUXMOLJGLAZ-OAHLLOKOSA-N 1 2 331.464 2.380 20 30 EEEDLO C[C@@H](CC#N)N(C)c1nnc(Cc2[nH+]ccn2C)n1Cc1ccccc1 ZINC001357909033 1373222492 /nfs/dbraw/zinc/22/24/92/1373222492.db2.gz DXTHGGLNTNWKTK-HNNXBMFYSA-N 1 2 349.442 2.389 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)COCc2ccc(OC)cc2)C1 ZINC001366967372 1374073168 /nfs/dbraw/zinc/07/31/68/1374073168.db2.gz JXFOXWLGKMYTAH-UHFFFAOYSA-N 1 2 338.835 2.012 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)C1(C)CCOCC1 ZINC001367556220 1374211177 /nfs/dbraw/zinc/21/11/77/1374211177.db2.gz ARTZTNABQPXYBV-UHFFFAOYSA-N 1 2 329.444 2.265 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)C1(C)CCOCC1 ZINC001367556220 1374211180 /nfs/dbraw/zinc/21/11/80/1374211180.db2.gz ARTZTNABQPXYBV-UHFFFAOYSA-N 1 2 329.444 2.265 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)Cc2cnn(C)c2C)C1 ZINC001373081670 1376395258 /nfs/dbraw/zinc/39/52/58/1376395258.db2.gz CAHDJFSTGSNLSL-INIZCTEOSA-N 1 2 338.883 2.336 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)Cc2cnn(C)c2C)C1 ZINC001373081670 1376395266 /nfs/dbraw/zinc/39/52/66/1376395266.db2.gz CAHDJFSTGSNLSL-INIZCTEOSA-N 1 2 338.883 2.336 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(CCC)C(=O)COCC)C1 ZINC001373084035 1376397415 /nfs/dbraw/zinc/39/74/15/1376397415.db2.gz JPMZAABOCGOOJY-ZDUSSCGKSA-N 1 2 333.270 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CCC)C(=O)COCC)C1 ZINC001373084035 1376397419 /nfs/dbraw/zinc/39/74/19/1376397419.db2.gz JPMZAABOCGOOJY-ZDUSSCGKSA-N 1 2 333.270 2.244 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccncc1Cl)C(=O)c1cc(C#N)c[nH]1 ZINC001374481154 1376858222 /nfs/dbraw/zinc/85/82/22/1376858222.db2.gz XUPITSURWUSBAC-UHFFFAOYSA-N 1 2 331.807 2.139 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccncc1Cl)C(=O)c1cc(C#N)c[nH]1 ZINC001374481154 1376858223 /nfs/dbraw/zinc/85/82/23/1376858223.db2.gz XUPITSURWUSBAC-UHFFFAOYSA-N 1 2 331.807 2.139 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ncoc1C(F)(F)F ZINC001375067737 1377335057 /nfs/dbraw/zinc/33/50/57/1377335057.db2.gz FQHCZSOMRAXGFS-MRVPVSSYSA-N 1 2 325.718 2.496 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ncoc1C(F)(F)F ZINC001375067737 1377335063 /nfs/dbraw/zinc/33/50/63/1377335063.db2.gz FQHCZSOMRAXGFS-MRVPVSSYSA-N 1 2 325.718 2.496 20 30 EEEDLO C[C@H](C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F)C(F)(F)F ZINC001377211418 1379039166 /nfs/dbraw/zinc/03/91/66/1379039166.db2.gz INWWPBDRJQMKRU-SNVBAGLBSA-N 1 2 331.313 2.444 20 30 EEEDLO C[C@H](C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F)C(F)(F)F ZINC001377211418 1379039176 /nfs/dbraw/zinc/03/91/76/1379039176.db2.gz INWWPBDRJQMKRU-SNVBAGLBSA-N 1 2 331.313 2.444 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)COCc2ccncc2)[C@H]1C ZINC001379652255 1380799822 /nfs/dbraw/zinc/79/98/22/1380799822.db2.gz KBSKBBPWFMLZOA-GDBMZVCRSA-N 1 2 337.851 2.320 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)COCc2ccncc2)[C@H]1C ZINC001379652255 1380799823 /nfs/dbraw/zinc/79/98/23/1380799823.db2.gz KBSKBBPWFMLZOA-GDBMZVCRSA-N 1 2 337.851 2.320 20 30 EEEDLO COCC[N@H+](CCNC(=O)c1ccco1)Cc1cc(C#N)ccc1F ZINC001380093613 1381048746 /nfs/dbraw/zinc/04/87/46/1381048746.db2.gz FTFBFQJRCDWIEB-UHFFFAOYSA-N 1 2 345.374 2.169 20 30 EEEDLO COCC[N@@H+](CCNC(=O)c1ccco1)Cc1cc(C#N)ccc1F ZINC001380093613 1381048751 /nfs/dbraw/zinc/04/87/51/1381048751.db2.gz FTFBFQJRCDWIEB-UHFFFAOYSA-N 1 2 345.374 2.169 20 30 EEEDLO Cc1ncc(C(=O)N(C)CCC[N@H+](C)Cc2ccc(C#N)cc2F)[nH]1 ZINC001380950644 1381461155 /nfs/dbraw/zinc/46/11/55/1381461155.db2.gz WLLTZTJWBSJKDE-UHFFFAOYSA-N 1 2 343.406 2.323 20 30 EEEDLO Cc1ncc(C(=O)N(C)CCC[N@@H+](C)Cc2ccc(C#N)cc2F)[nH]1 ZINC001380950644 1381461160 /nfs/dbraw/zinc/46/11/60/1381461160.db2.gz WLLTZTJWBSJKDE-UHFFFAOYSA-N 1 2 343.406 2.323 20 30 EEEDLO C[C@H](C#N)C(=O)NCC[N@H+](Cc1nncs1)C1CCCCCC1 ZINC001392968626 1390265822 /nfs/dbraw/zinc/26/58/22/1390265822.db2.gz CNXOTNIBFRDEJY-CYBMUJFWSA-N 1 2 335.477 2.339 20 30 EEEDLO C[C@H](C#N)C(=O)NCC[N@@H+](Cc1nncs1)C1CCCCCC1 ZINC001392968626 1390265825 /nfs/dbraw/zinc/26/58/25/1390265825.db2.gz CNXOTNIBFRDEJY-CYBMUJFWSA-N 1 2 335.477 2.339 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H](O)C(C)C)C(C)(C)C1 ZINC001393756989 1390529991 /nfs/dbraw/zinc/52/99/91/1390529991.db2.gz HUIKTNRAAFAKSU-QWHCGFSZSA-N 1 2 347.297 2.129 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H](O)C(C)C)C(C)(C)C1 ZINC001393756989 1390529995 /nfs/dbraw/zinc/52/99/95/1390529995.db2.gz HUIKTNRAAFAKSU-QWHCGFSZSA-N 1 2 347.297 2.129 20 30 EEEDLO C[N@H+](CCNC(=O)Cc1ccc2c[nH]nc2c1)Cc1ccccc1C#N ZINC001492836172 1390789759 /nfs/dbraw/zinc/78/97/59/1390789759.db2.gz XAWOCVKJNKBDDN-UHFFFAOYSA-N 1 2 347.422 2.225 20 30 EEEDLO C[N@@H+](CCNC(=O)Cc1ccc2c[nH]nc2c1)Cc1ccccc1C#N ZINC001492836172 1390789760 /nfs/dbraw/zinc/78/97/60/1390789760.db2.gz XAWOCVKJNKBDDN-UHFFFAOYSA-N 1 2 347.422 2.225 20 30 EEEDLO C#CCCCC(=O)N[C@H](C)C[N@H+](C)CC(=O)Nc1cc(C)ccc1C ZINC001754309017 1406884809 /nfs/dbraw/zinc/88/48/09/1406884809.db2.gz YGEGTEVQVSIINV-QGZVFWFLSA-N 1 2 343.471 2.482 20 30 EEEDLO C#CCCCC(=O)N[C@H](C)C[N@@H+](C)CC(=O)Nc1cc(C)ccc1C ZINC001754309017 1406884814 /nfs/dbraw/zinc/88/48/14/1406884814.db2.gz YGEGTEVQVSIINV-QGZVFWFLSA-N 1 2 343.471 2.482 20 30 EEEDLO C=CCOCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCC13CC3)O2 ZINC001755054190 1407060448 /nfs/dbraw/zinc/06/04/48/1407060448.db2.gz JRDJWWOMPWMPBY-IAGOWNOFSA-N 1 2 348.487 2.119 20 30 EEEDLO CC(C)C#CC(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccccc3)C2)O1 ZINC001755054616 1407061345 /nfs/dbraw/zinc/06/13/45/1407061345.db2.gz RGCFMTGIODEVPP-SFHVURJKSA-N 1 2 326.440 2.196 20 30 EEEDLO C=CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(CC)cc1)CO2 ZINC001755065229 1407074945 /nfs/dbraw/zinc/07/49/45/1407074945.db2.gz GYMGZBYBTAJKDZ-SFHVURJKSA-N 1 2 344.455 2.025 20 30 EEEDLO C=C(Cl)C[NH2+][C@H](C)[C@@H]1CN(C(=O)c2cccc3[nH]cnc32)CCO1 ZINC001422854349 1400229341 /nfs/dbraw/zinc/22/93/41/1400229341.db2.gz KZOTUACRTUCHAH-DOMZBBRYSA-N 1 2 348.834 2.135 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1cc(OC)ccc1OC ZINC001424960380 1401337989 /nfs/dbraw/zinc/33/79/89/1401337989.db2.gz GODGWDNDQYGTTK-ZDUSSCGKSA-N 1 2 340.851 2.435 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1cc(OC)ccc1OC ZINC001424960380 1401337993 /nfs/dbraw/zinc/33/79/93/1401337993.db2.gz GODGWDNDQYGTTK-ZDUSSCGKSA-N 1 2 340.851 2.435 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC(=C)Br ZINC001755191722 1407198779 /nfs/dbraw/zinc/19/87/79/1407198779.db2.gz RBXVVUVHAIEJBA-DZGCQCFKSA-N 1 2 345.281 2.145 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@H]1C[N@H+](C)CC(=C)Br ZINC001755191722 1407198783 /nfs/dbraw/zinc/19/87/83/1407198783.db2.gz RBXVVUVHAIEJBA-DZGCQCFKSA-N 1 2 345.281 2.145 20 30 EEEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)Cc2ccccc2OC(C)C)C1 ZINC001755337222 1407336082 /nfs/dbraw/zinc/33/60/82/1407336082.db2.gz ZHEXIKSZBUXSDE-UHFFFAOYSA-N 1 2 346.471 2.145 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](OCC)C3CCCC3)C2)C1 ZINC001755402355 1407406848 /nfs/dbraw/zinc/40/68/48/1407406848.db2.gz QUPDIBUDKWHAAY-HKUYNNGSSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](OCC)C3CCCC3)C2)C1 ZINC001755402355 1407406850 /nfs/dbraw/zinc/40/68/50/1407406850.db2.gz QUPDIBUDKWHAAY-HKUYNNGSSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1nncn1C)CC2 ZINC001755702211 1407751869 /nfs/dbraw/zinc/75/18/69/1407751869.db2.gz UVFWRJYFSCBMKF-IIDMSEBBSA-N 1 2 331.464 2.031 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1nncn1C)CC2 ZINC001755702211 1407751875 /nfs/dbraw/zinc/75/18/75/1407751875.db2.gz UVFWRJYFSCBMKF-IIDMSEBBSA-N 1 2 331.464 2.031 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)C1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001755983761 1408052855 /nfs/dbraw/zinc/05/28/55/1408052855.db2.gz YTTZFHVZQQOROJ-UHFFFAOYSA-N 1 2 346.475 2.440 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)C ZINC001756715256 1409246013 /nfs/dbraw/zinc/24/60/13/1409246013.db2.gz YBQVANXBKHKHRO-HNNXBMFYSA-N 1 2 334.464 2.346 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)(C)C ZINC001756715256 1409246018 /nfs/dbraw/zinc/24/60/18/1409246018.db2.gz YBQVANXBKHKHRO-HNNXBMFYSA-N 1 2 334.464 2.346 20 30 EEEDLO C=CCC(C)(C)C(=O)NCCC1=CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001756879905 1409441319 /nfs/dbraw/zinc/44/13/19/1409441319.db2.gz TVTOZQWSAVBYKA-UHFFFAOYSA-N 1 2 344.459 2.220 20 30 EEEDLO C=C1CCC(C(=O)NCCCC[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001756931900 1409522614 /nfs/dbraw/zinc/52/26/14/1409522614.db2.gz CDHCSTKWMLLJGN-OAHLLOKOSA-N 1 2 346.475 2.490 20 30 EEEDLO C=CCC(CC=C)C(=O)NC[C@@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001104096056 1410792253 /nfs/dbraw/zinc/79/22/53/1410792253.db2.gz BXNFCMZQGNAXSG-CYBMUJFWSA-N 1 2 346.479 2.179 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nccn1C)C2 ZINC001111848600 1410852402 /nfs/dbraw/zinc/85/24/02/1410852402.db2.gz MFRFZJDTFDRTCJ-GJYPPUQNSA-N 1 2 330.476 2.493 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nccn1C)C2 ZINC001111848600 1410852409 /nfs/dbraw/zinc/85/24/09/1410852409.db2.gz MFRFZJDTFDRTCJ-GJYPPUQNSA-N 1 2 330.476 2.493 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NC1(CNc2cc[nH+]c(C)n2)CCOCC1 ZINC001112265221 1410883213 /nfs/dbraw/zinc/88/32/13/1410883213.db2.gz MPBMIKWZXQKVPN-UONOGXRCSA-N 1 2 332.448 2.321 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3[nH]ccc3C3CC3)c2C1 ZINC001069863026 1411075882 /nfs/dbraw/zinc/07/58/82/1411075882.db2.gz SBYMICPSZCMGIS-UHFFFAOYSA-N 1 2 339.443 2.410 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3[nH]ccc3C3CC3)c2C1 ZINC001069863026 1411075889 /nfs/dbraw/zinc/07/58/89/1411075889.db2.gz SBYMICPSZCMGIS-UHFFFAOYSA-N 1 2 339.443 2.410 20 30 EEEDLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)Nc1ncccc1C#N ZINC001098174519 782391107 /nfs/dbraw/zinc/39/11/07/782391107.db2.gz BRJCXTPMOJDBTI-CQSZACIVSA-N 1 2 346.394 2.369 20 30 EEEDLO C=C(Br)CNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000840252712 782458143 /nfs/dbraw/zinc/45/81/43/782458143.db2.gz WMJYPXYCENMJJR-QWRGUYRKSA-N 1 2 327.226 2.004 20 30 EEEDLO C=C(Br)CNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000840252712 782458147 /nfs/dbraw/zinc/45/81/47/782458147.db2.gz WMJYPXYCENMJJR-QWRGUYRKSA-N 1 2 327.226 2.004 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](n2cc(C[NH2+]C/C=C/Cl)nn2)C1 ZINC001098710282 782557409 /nfs/dbraw/zinc/55/74/09/782557409.db2.gz BTOXBNPKIAEETJ-PXTSUWAFSA-N 1 2 337.855 2.250 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001111981912 761924390 /nfs/dbraw/zinc/92/43/90/761924390.db2.gz RZMIHOTWDGJGSZ-MRXNPFEDSA-N 1 2 344.459 2.340 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H](C)C1 ZINC001112469957 756996137 /nfs/dbraw/zinc/99/61/37/756996137.db2.gz RTXUBOFAUVLXCQ-LRDDRELGSA-N 1 2 332.448 2.078 20 30 EEEDLO C#CCO[C@H](C)C(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001104684470 764737071 /nfs/dbraw/zinc/73/70/71/764737071.db2.gz YIOFDGUVKJQVHE-LSDHHAIUSA-N 1 2 332.448 2.206 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001104770034 765254583 /nfs/dbraw/zinc/25/45/83/765254583.db2.gz KNZSPNPLBUBZSO-OLZOCXBDSA-N 1 2 330.436 2.224 20 30 EEEDLO Cc1nc(NC[C@@H](CC(C)C)NC(=O)Cc2[nH]cc[nH+]2)ccc1C#N ZINC001104956179 765658146 /nfs/dbraw/zinc/65/81/46/765658146.db2.gz DHTAXGUZCIEOKI-OAHLLOKOSA-N 1 2 340.431 2.170 20 30 EEEDLO CC(C)C[C@H](CNc1ccc(C#N)nc1)NC(=O)CCn1cc[nH+]c1 ZINC001104977441 765716776 /nfs/dbraw/zinc/71/67/76/765716776.db2.gz NHFRONRJTGWVJX-QGZVFWFLSA-N 1 2 340.431 2.183 20 30 EEEDLO C[C@H](C[C@H](C)NC(=O)c1cccc2[nH+]ccn21)Nc1ccncc1C#N ZINC001089424021 769008405 /nfs/dbraw/zinc/00/84/05/769008405.db2.gz XVOZYIZBULCCAQ-KGLIPLIRSA-N 1 2 348.410 2.032 20 30 EEEDLO CC#CCCCC(=O)N[C@@H](C)C[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001089455312 769383600 /nfs/dbraw/zinc/38/36/00/769383600.db2.gz KOGMJEPZSNMYMA-KBPBESRZSA-N 1 2 346.479 2.135 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC(n2cc(C[NH2+]C/C=C/Cl)nn2)C1 ZINC001105318921 769701005 /nfs/dbraw/zinc/70/10/05/769701005.db2.gz UHWATPDJQRTCOJ-MOEXGYKKSA-N 1 2 337.855 2.106 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)C1=COCCC1 ZINC001031573340 769778817 /nfs/dbraw/zinc/77/88/17/769778817.db2.gz XSZSVUUIGPZOEX-UHFFFAOYSA-N 1 2 344.842 2.434 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H](C)C[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)n1 ZINC001089499295 769914990 /nfs/dbraw/zinc/91/49/90/769914990.db2.gz LSMSKXAFHQCTCV-KBPBESRZSA-N 1 2 340.431 2.313 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H](C)C[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)n1 ZINC001089499295 769914995 /nfs/dbraw/zinc/91/49/95/769914995.db2.gz LSMSKXAFHQCTCV-KBPBESRZSA-N 1 2 340.431 2.313 20 30 EEEDLO C[C@@H](C[C@H](C)Nc1ccc(C#N)cn1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001089501426 769937399 /nfs/dbraw/zinc/93/73/99/769937399.db2.gz YLKBALZFXQKFIW-STQMWFEESA-N 1 2 326.404 2.004 20 30 EEEDLO C[C@@H](C[C@H](C)Nc1ccc(C#N)cn1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001089501426 769937405 /nfs/dbraw/zinc/93/74/05/769937405.db2.gz YLKBALZFXQKFIW-STQMWFEESA-N 1 2 326.404 2.004 20 30 EEEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)ccc1F ZINC001031597441 770031907 /nfs/dbraw/zinc/03/19/07/770031907.db2.gz ASULWVXXWUSETI-VQFNDLOPSA-N 1 2 327.403 2.291 20 30 EEEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)CC[C@H]1NC(=O)c1[nH]ncc1F ZINC000942600737 782826376 /nfs/dbraw/zinc/82/63/76/782826376.db2.gz UOOWBYXRVWXBIC-RHSMWYFYSA-N 1 2 340.402 2.041 20 30 EEEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@H]1NC(=O)c1[nH]ncc1F ZINC000942600737 782826382 /nfs/dbraw/zinc/82/63/82/782826382.db2.gz UOOWBYXRVWXBIC-RHSMWYFYSA-N 1 2 340.402 2.041 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCCOCC3)C2)c(F)c1 ZINC001031641143 770550458 /nfs/dbraw/zinc/55/04/58/770550458.db2.gz OHEMIYDMHFESSX-MRXNPFEDSA-N 1 2 345.418 2.062 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nn(CC)nc3C)C[C@@H]2C)C1 ZINC000942607617 782848116 /nfs/dbraw/zinc/84/81/16/782848116.db2.gz IGNKCEFIVYIVMD-HOCLYGCPSA-N 1 2 345.491 2.289 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nn(CC)nc3C)C[C@@H]2C)C1 ZINC000942607617 782848124 /nfs/dbraw/zinc/84/81/24/782848124.db2.gz IGNKCEFIVYIVMD-HOCLYGCPSA-N 1 2 345.491 2.289 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2c(F)cncc2F)C1 ZINC001031700260 773431501 /nfs/dbraw/zinc/43/15/01/773431501.db2.gz QLROHWBQXNOWJH-UHFFFAOYSA-N 1 2 342.349 2.093 20 30 EEEDLO CCN(c1nc(C)[nH+]c2c1CCCC2)[C@H](C)CNC(=O)C#CC1CC1 ZINC001089644905 773676814 /nfs/dbraw/zinc/67/68/14/773676814.db2.gz GIICKWYKNUHUMU-CQSZACIVSA-N 1 2 340.471 2.408 20 30 EEEDLO C=CCn1cccc1C(=O)NCC1C[NH+](Cc2nc(C)cs2)C1 ZINC001031731134 773933269 /nfs/dbraw/zinc/93/32/69/773933269.db2.gz LEGKEVWBEJZSSF-UHFFFAOYSA-N 1 2 330.457 2.301 20 30 EEEDLO N#CCN1C[C@@H]2CC[C@H](NC(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@H]2C1 ZINC000980155574 773968712 /nfs/dbraw/zinc/96/87/12/773968712.db2.gz XGJQNTNOTNHGOX-BZSNNMDCSA-N 1 2 349.438 2.226 20 30 EEEDLO CCc1cccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)n1 ZINC001031736128 774078800 /nfs/dbraw/zinc/07/88/00/774078800.db2.gz IEMCBHZDUSKYBW-UHFFFAOYSA-N 1 2 340.452 2.439 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031741164 774187389 /nfs/dbraw/zinc/18/73/89/774187389.db2.gz PSVXTTMVYXYXAE-QAPCUYQASA-N 1 2 345.418 2.060 20 30 EEEDLO C[C@@H](CC(=O)N(C)CCCN(C)c1ccc(C#N)nc1)n1cc[nH+]c1 ZINC001112183849 783170677 /nfs/dbraw/zinc/17/06/77/783170677.db2.gz CYVHRWOENLPVNI-HNNXBMFYSA-N 1 2 340.431 2.086 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)C1 ZINC000939010083 775172241 /nfs/dbraw/zinc/17/22/41/775172241.db2.gz MZCDABBRXKMXNT-AWEZNQCLSA-N 1 2 340.427 2.219 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)C[C@H]3CCCO3)CC2)c1 ZINC000980737502 775400927 /nfs/dbraw/zinc/40/09/27/775400927.db2.gz ICBFOHYZEXCZIF-QGZVFWFLSA-N 1 2 345.418 2.301 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)C[C@H]3CCCO3)CC2)c1 ZINC000980737502 775400932 /nfs/dbraw/zinc/40/09/32/775400932.db2.gz ICBFOHYZEXCZIF-QGZVFWFLSA-N 1 2 345.418 2.301 20 30 EEEDLO CO[C@H]1CC[C@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001031792303 775732087 /nfs/dbraw/zinc/73/20/87/775732087.db2.gz QLKNUHFYEQZDPR-RDJZCZTQSA-N 1 2 345.418 2.060 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[N@H+](Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000980848898 775806519 /nfs/dbraw/zinc/80/65/19/775806519.db2.gz DNQVIAKYGWLPFD-CYBMUJFWSA-N 1 2 347.846 2.469 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+](Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000980848898 775806526 /nfs/dbraw/zinc/80/65/26/775806526.db2.gz DNQVIAKYGWLPFD-CYBMUJFWSA-N 1 2 347.846 2.469 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1OC ZINC001212337575 776144318 /nfs/dbraw/zinc/14/43/18/776144318.db2.gz UYTZPJXWESJBEH-ZIAGYGMSSA-N 1 2 341.839 2.077 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1OC ZINC001212337575 776144322 /nfs/dbraw/zinc/14/43/22/776144322.db2.gz UYTZPJXWESJBEH-ZIAGYGMSSA-N 1 2 341.839 2.077 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1)C1CC1 ZINC000981075465 776481714 /nfs/dbraw/zinc/48/17/14/776481714.db2.gz IIOGEWOULISCQH-GOSISDBHSA-N 1 2 345.418 2.157 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1)C1CC1 ZINC000981075465 776481719 /nfs/dbraw/zinc/48/17/19/776481719.db2.gz IIOGEWOULISCQH-GOSISDBHSA-N 1 2 345.418 2.157 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCCO1 ZINC001028094147 777422331 /nfs/dbraw/zinc/42/23/31/777422331.db2.gz VOUGLVQMPNKYKX-OCCSQVGLSA-N 1 2 338.839 2.208 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCCO1 ZINC001028094147 777422334 /nfs/dbraw/zinc/42/23/34/777422334.db2.gz VOUGLVQMPNKYKX-OCCSQVGLSA-N 1 2 338.839 2.208 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2cnnn2CC)CC1 ZINC001028114236 777991949 /nfs/dbraw/zinc/99/19/49/777991949.db2.gz FPMHEGVBBNJGPR-MRXNPFEDSA-N 1 2 331.464 2.125 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cnnn2CC)CC1 ZINC001028114236 777991955 /nfs/dbraw/zinc/99/19/55/777991955.db2.gz FPMHEGVBBNJGPR-MRXNPFEDSA-N 1 2 331.464 2.125 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc(-n2cccn2)c1 ZINC001028127716 778277485 /nfs/dbraw/zinc/27/74/85/778277485.db2.gz KZFHQVWHQXWSPK-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccnc(-n2cccn2)c1 ZINC001028127716 778277491 /nfs/dbraw/zinc/27/74/91/778277491.db2.gz KZFHQVWHQXWSPK-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)c(C)o3)[C@@H]2C)c1 ZINC001088846212 790617531 /nfs/dbraw/zinc/61/75/31/790617531.db2.gz AXIKRBYFGSUGEM-DYVFJYSZSA-N 1 2 338.411 2.061 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)c(C)o3)[C@@H]2C)c1 ZINC001088846212 790617540 /nfs/dbraw/zinc/61/75/40/790617540.db2.gz AXIKRBYFGSUGEM-DYVFJYSZSA-N 1 2 338.411 2.061 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ncc(C(C)C)o1 ZINC001028146505 778437082 /nfs/dbraw/zinc/43/70/82/778437082.db2.gz HUCBRIZCZMUNBC-OAGGEKHMSA-N 1 2 347.459 2.470 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ncc(C(C)C)o1 ZINC001028146505 778437088 /nfs/dbraw/zinc/43/70/88/778437088.db2.gz HUCBRIZCZMUNBC-OAGGEKHMSA-N 1 2 347.459 2.470 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[N@@H+](Cc3cc(OC)no3)CC2)CC1 ZINC000981885912 778483611 /nfs/dbraw/zinc/48/36/11/778483611.db2.gz VRVMMSBXWYBHFH-UHFFFAOYSA-N 1 2 333.432 2.464 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[N@H+](Cc3cc(OC)no3)CC2)CC1 ZINC000981885912 778483616 /nfs/dbraw/zinc/48/36/16/778483616.db2.gz VRVMMSBXWYBHFH-UHFFFAOYSA-N 1 2 333.432 2.464 20 30 EEEDLO CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3c4cn[nH]c4CC[C@@H]3C)C2)C1 ZINC000981899520 778505449 /nfs/dbraw/zinc/50/54/49/778505449.db2.gz LGJCQURATMHYOY-YJBOKZPZSA-N 1 2 340.471 2.023 20 30 EEEDLO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3c4cn[nH]c4CC[C@@H]3C)C2)C1 ZINC000981899520 778505454 /nfs/dbraw/zinc/50/54/54/778505454.db2.gz LGJCQURATMHYOY-YJBOKZPZSA-N 1 2 340.471 2.023 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[N@@H+]([C@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000981909356 778522940 /nfs/dbraw/zinc/52/29/40/778522940.db2.gz KVMPJRZWXSPUPQ-MRXNPFEDSA-N 1 2 347.503 2.324 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[N@H+]([C@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000981909356 778522943 /nfs/dbraw/zinc/52/29/43/778522943.db2.gz KVMPJRZWXSPUPQ-MRXNPFEDSA-N 1 2 347.503 2.324 20 30 EEEDLO C[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1)[C@H]1CCCO1 ZINC000981913548 778542758 /nfs/dbraw/zinc/54/27/58/778542758.db2.gz VFRNSWBQQHYDNR-QFBILLFUSA-N 1 2 341.455 2.408 20 30 EEEDLO C[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1)[C@H]1CCCO1 ZINC000981913548 778542762 /nfs/dbraw/zinc/54/27/62/778542762.db2.gz VFRNSWBQQHYDNR-QFBILLFUSA-N 1 2 341.455 2.408 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)o1 ZINC000940656802 779070291 /nfs/dbraw/zinc/07/02/91/779070291.db2.gz HEHOSIONSREKBJ-HNNXBMFYSA-N 1 2 341.415 2.213 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)o1 ZINC000940656802 779070295 /nfs/dbraw/zinc/07/02/95/779070295.db2.gz HEHOSIONSREKBJ-HNNXBMFYSA-N 1 2 341.415 2.213 20 30 EEEDLO CC1(C)C[N@H+](Cc2cscn2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940659379 779075593 /nfs/dbraw/zinc/07/55/93/779075593.db2.gz XIVCOTZXKWANPL-HNNXBMFYSA-N 1 2 343.456 2.373 20 30 EEEDLO CC1(C)C[N@@H+](Cc2cscn2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940659379 779075595 /nfs/dbraw/zinc/07/55/95/779075595.db2.gz XIVCOTZXKWANPL-HNNXBMFYSA-N 1 2 343.456 2.373 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000982238313 779367327 /nfs/dbraw/zinc/36/73/27/779367327.db2.gz ZNTUDDNJYRRAPT-UHFFFAOYSA-N 1 2 343.456 2.308 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000982238313 779367334 /nfs/dbraw/zinc/36/73/34/779367334.db2.gz ZNTUDDNJYRRAPT-UHFFFAOYSA-N 1 2 343.456 2.308 20 30 EEEDLO Cc1conc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001028247623 779629334 /nfs/dbraw/zinc/62/93/34/779629334.db2.gz SGRIVNWZGACOMV-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1conc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001028247623 779629335 /nfs/dbraw/zinc/62/93/35/779629335.db2.gz SGRIVNWZGACOMV-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)cs1 ZINC001031921002 779719128 /nfs/dbraw/zinc/71/91/28/779719128.db2.gz VJLBSBMJMGVUJS-UHFFFAOYSA-N 1 2 344.415 2.324 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COc2ccccc2O1 ZINC001028297935 780602489 /nfs/dbraw/zinc/60/24/89/780602489.db2.gz OFNLMYBWAPPZFA-CJNGLKHVSA-N 1 2 336.819 2.160 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COc2ccccc2O1 ZINC001028297935 780602493 /nfs/dbraw/zinc/60/24/93/780602493.db2.gz OFNLMYBWAPPZFA-CJNGLKHVSA-N 1 2 336.819 2.160 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CCC(C)C ZINC001211841172 781109555 /nfs/dbraw/zinc/10/95/55/781109555.db2.gz OTEMPCHUDHEOQS-QZTJIDSGSA-N 1 2 329.444 2.310 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CCC(C)C ZINC001211841172 781109557 /nfs/dbraw/zinc/10/95/57/781109557.db2.gz OTEMPCHUDHEOQS-QZTJIDSGSA-N 1 2 329.444 2.310 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](C)CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)n1 ZINC001098267602 781453368 /nfs/dbraw/zinc/45/33/68/781453368.db2.gz DTEBJIGIEXENSC-TZMCWYRMSA-N 1 2 338.415 2.022 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cnsn2)[C@H]1CC ZINC001087510902 781610449 /nfs/dbraw/zinc/61/04/49/781610449.db2.gz NHYFJPPTCSUBOM-GXSJLCMTSA-N 1 2 345.266 2.029 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cnsn2)[C@H]1CC ZINC001087510902 781610455 /nfs/dbraw/zinc/61/04/55/781610455.db2.gz NHYFJPPTCSUBOM-GXSJLCMTSA-N 1 2 345.266 2.029 20 30 EEEDLO CCOCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001131798098 783253495 /nfs/dbraw/zinc/25/34/95/783253495.db2.gz QPVGKBIWIQSULR-BBRMVZONSA-N 1 2 333.407 2.203 20 30 EEEDLO CCOCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001131798098 783253502 /nfs/dbraw/zinc/25/35/02/783253502.db2.gz QPVGKBIWIQSULR-BBRMVZONSA-N 1 2 333.407 2.203 20 30 EEEDLO CN(C(=O)c1cnco1)[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033304252 783452331 /nfs/dbraw/zinc/45/23/31/783452331.db2.gz QZWHCKDAKMFQLO-CQSZACIVSA-N 1 2 328.347 2.032 20 30 EEEDLO CN(C(=O)c1cnco1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033304252 783452337 /nfs/dbraw/zinc/45/23/37/783452337.db2.gz QZWHCKDAKMFQLO-CQSZACIVSA-N 1 2 328.347 2.032 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccnn2C(CC)CC)C1 ZINC001035400850 784447787 /nfs/dbraw/zinc/44/77/87/784447787.db2.gz CESOFGQLPPCQJN-INIZCTEOSA-N 1 2 334.464 2.251 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccnn2C(CC)CC)C1 ZINC001035400850 784447791 /nfs/dbraw/zinc/44/77/91/784447791.db2.gz CESOFGQLPPCQJN-INIZCTEOSA-N 1 2 334.464 2.251 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(COC)cc(C(=O)OCC)c1 ZINC000817012682 784450869 /nfs/dbraw/zinc/45/08/69/784450869.db2.gz FFUGDNHQPDQGHO-KRWDZBQOSA-N 1 2 344.411 2.046 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(COC)cc(C(=O)OCC)c1 ZINC000817012682 784450875 /nfs/dbraw/zinc/45/08/75/784450875.db2.gz FFUGDNHQPDQGHO-KRWDZBQOSA-N 1 2 344.411 2.046 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001035419697 784461516 /nfs/dbraw/zinc/46/15/16/784461516.db2.gz JBFMJZCFGAMVGT-MOPGFXCFSA-N 1 2 344.455 2.197 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001035419697 784461520 /nfs/dbraw/zinc/46/15/20/784461520.db2.gz JBFMJZCFGAMVGT-MOPGFXCFSA-N 1 2 344.455 2.197 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCc3c2cccc3Cl)C1 ZINC001035456307 784507298 /nfs/dbraw/zinc/50/72/98/784507298.db2.gz SBEVYPNOUDMWQX-BBRMVZONSA-N 1 2 334.847 2.373 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCc3c2cccc3Cl)C1 ZINC001035456307 784507306 /nfs/dbraw/zinc/50/73/06/784507306.db2.gz SBEVYPNOUDMWQX-BBRMVZONSA-N 1 2 334.847 2.373 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCc3cc(C)ccc3O2)C1 ZINC001035444412 784540079 /nfs/dbraw/zinc/54/00/79/784540079.db2.gz RDILJSFBXPNPKU-PKOBYXMFSA-N 1 2 344.455 2.082 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCc3cc(C)ccc3O2)C1 ZINC001035444412 784540080 /nfs/dbraw/zinc/54/00/80/784540080.db2.gz RDILJSFBXPNPKU-PKOBYXMFSA-N 1 2 344.455 2.082 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2csc(C(C)(C)C)n2)C1 ZINC001035546053 784655179 /nfs/dbraw/zinc/65/51/79/784655179.db2.gz PKRNHUVWXGBNRC-ZDUSSCGKSA-N 1 2 337.489 2.447 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2csc(C(C)(C)C)n2)C1 ZINC001035546053 784655182 /nfs/dbraw/zinc/65/51/82/784655182.db2.gz PKRNHUVWXGBNRC-ZDUSSCGKSA-N 1 2 337.489 2.447 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC001035522119 784663811 /nfs/dbraw/zinc/66/38/11/784663811.db2.gz GXHABHMARBKWCZ-MRXNPFEDSA-N 1 2 340.427 2.083 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC001035522119 784663813 /nfs/dbraw/zinc/66/38/13/784663813.db2.gz GXHABHMARBKWCZ-MRXNPFEDSA-N 1 2 340.427 2.083 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C=C(C)C(C)(C)C(=O)N1CCC2(C[NH+](Cc3cnnn3CC)C2)CC1 ZINC001035762029 785076878 /nfs/dbraw/zinc/07/68/78/785076878.db2.gz GRCRUPZEZAKGAK-UHFFFAOYSA-N 1 2 345.491 2.325 20 30 EEEDLO N#C[C@@H]1CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CCN1C1CC1 ZINC000819879600 785695053 /nfs/dbraw/zinc/69/50/53/785695053.db2.gz RWMDXDIXVHSGKI-MSOLQXFVSA-N 1 2 349.438 2.130 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC/C=C/CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107148274 786108732 /nfs/dbraw/zinc/10/87/32/786108732.db2.gz FPBYQOODWJZIGJ-QWNKOJSDSA-N 1 2 330.432 2.074 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCC ZINC001109592169 805726853 /nfs/dbraw/zinc/72/68/53/805726853.db2.gz JOXOSYHOVBXATG-PMPSAXMXSA-N 1 2 335.492 2.227 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCC ZINC001109592169 805726857 /nfs/dbraw/zinc/72/68/57/805726857.db2.gz JOXOSYHOVBXATG-PMPSAXMXSA-N 1 2 335.492 2.227 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ncc(C)s3)C[C@@H]2O)CC1 ZINC001090545953 786813151 /nfs/dbraw/zinc/81/31/51/786813151.db2.gz KUAHOEYTCOPVEI-CVEARBPZSA-N 1 2 349.500 2.249 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ncc(C)s3)C[C@@H]2O)CC1 ZINC001090545953 786813164 /nfs/dbraw/zinc/81/31/64/786813164.db2.gz KUAHOEYTCOPVEI-CVEARBPZSA-N 1 2 349.500 2.249 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)cc(F)c2)[C@@H](O)C1 ZINC001090587314 787087863 /nfs/dbraw/zinc/08/78/63/787087863.db2.gz WZRFYUNFAQKYTP-GJZGRUSLSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)cc(F)c2)[C@@H](O)C1 ZINC001090587314 787087871 /nfs/dbraw/zinc/08/78/71/787087871.db2.gz WZRFYUNFAQKYTP-GJZGRUSLSA-N 1 2 326.799 2.052 20 30 EEEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cccc(C(=O)OC)c2OC)cc1 ZINC001170983608 787109023 /nfs/dbraw/zinc/10/90/23/787109023.db2.gz BTWUNKWMOWUWRB-UHFFFAOYSA-N 1 2 342.351 2.305 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OC)nn1 ZINC001109631610 805799548 /nfs/dbraw/zinc/79/95/48/805799548.db2.gz 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CC(C)=CC(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107710303 788109735 /nfs/dbraw/zinc/10/97/35/788109735.db2.gz SGMGKKBLMBUYJE-IBGZPJMESA-N 1 2 327.428 2.232 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2Cl)[C@@H](O)C1 ZINC001090783320 788239000 /nfs/dbraw/zinc/23/90/00/788239000.db2.gz LULIPPMFDWLCJY-CABCVRRESA-N 1 2 343.254 2.186 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2Cl)[C@@H](O)C1 ZINC001090783320 788239005 /nfs/dbraw/zinc/23/90/05/788239005.db2.gz LULIPPMFDWLCJY-CABCVRRESA-N 1 2 343.254 2.186 20 30 EEEDLO COC(=O)C1(C#N)CC[NH+](Cc2cn(-c3ccccc3)nc2C)CC1 ZINC000824866700 788326316 /nfs/dbraw/zinc/32/63/16/788326316.db2.gz GTSYYFVTDZVOAI-UHFFFAOYSA-N 1 2 338.411 2.460 20 30 EEEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc1 ZINC000824913973 788346048 /nfs/dbraw/zinc/34/60/48/788346048.db2.gz KPOLEUKVHPEYMW-GDBMZVCRSA-N 1 2 336.457 2.377 20 30 EEEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc1 ZINC000824913973 788346056 /nfs/dbraw/zinc/34/60/56/788346056.db2.gz KPOLEUKVHPEYMW-GDBMZVCRSA-N 1 2 336.457 2.377 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)[C@@H](O)C1 ZINC001090805652 788382139 /nfs/dbraw/zinc/38/21/39/788382139.db2.gz OZZLJVXFDWHCRO-MSOLQXFVSA-N 1 2 348.874 2.022 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)[C@@H](O)C1 ZINC001090805652 788382148 /nfs/dbraw/zinc/38/21/48/788382148.db2.gz OZZLJVXFDWHCRO-MSOLQXFVSA-N 1 2 348.874 2.022 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc3oc(C)nc32)[C@H](O)C1 ZINC001090836783 788501417 /nfs/dbraw/zinc/50/14/17/788501417.db2.gz PYIFQGHSZZWUOZ-ZIAGYGMSSA-N 1 2 349.818 2.054 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3oc(C)nc32)[C@H](O)C1 ZINC001090836783 788501429 /nfs/dbraw/zinc/50/14/29/788501429.db2.gz PYIFQGHSZZWUOZ-ZIAGYGMSSA-N 1 2 349.818 2.054 20 30 EEEDLO COc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(F)cc2)c(OC)c1 ZINC000029464480 788679511 /nfs/dbraw/zinc/67/95/11/788679511.db2.gz NJKKBDFLWGMQMP-UHFFFAOYSA-N 1 2 347.346 2.119 20 30 EEEDLO C[C@@]1(CNC(=O)C=C2CCC2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107862309 788877294 /nfs/dbraw/zinc/87/72/94/788877294.db2.gz LWFIFXWVZICFQK-HXUWFJFHSA-N 1 2 339.439 2.376 20 30 EEEDLO C[C@@]1(CNC(=O)C=C2CCC2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107862309 788877302 /nfs/dbraw/zinc/87/73/02/788877302.db2.gz LWFIFXWVZICFQK-HXUWFJFHSA-N 1 2 339.439 2.376 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001060258035 789133149 /nfs/dbraw/zinc/13/31/49/789133149.db2.gz WWOXVSDGCCFUPX-AWEZNQCLSA-N 1 2 341.390 2.387 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001091004837 789365379 /nfs/dbraw/zinc/36/53/79/789365379.db2.gz XLTGXSVRMFOQQJ-RHSMWYFYSA-N 1 2 343.475 2.080 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001091004837 789365383 /nfs/dbraw/zinc/36/53/83/789365383.db2.gz XLTGXSVRMFOQQJ-RHSMWYFYSA-N 1 2 343.475 2.080 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccccc2-n2cccc2)C1 ZINC001108180863 789572681 /nfs/dbraw/zinc/57/26/81/789572681.db2.gz QDGDLCNPRAHSOT-HXUWFJFHSA-N 1 2 339.439 2.484 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccccc2-n2cccc2)C1 ZINC001108180863 789572686 /nfs/dbraw/zinc/57/26/86/789572686.db2.gz QDGDLCNPRAHSOT-HXUWFJFHSA-N 1 2 339.439 2.484 20 30 EEEDLO CCOC(=O)c1[nH]ccc1C[NH+]1CCN(c2cccc(C#N)c2)CC1 ZINC001144336237 789586410 /nfs/dbraw/zinc/58/64/10/789586410.db2.gz GAXQTKNBCMTMRA-UHFFFAOYSA-N 1 2 338.411 2.385 20 30 EEEDLO CC(C)(C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)C1CCC1 ZINC001077455812 789729232 /nfs/dbraw/zinc/72/92/32/789729232.db2.gz GDIXFZYGADUCKL-RTBURBONSA-N 1 2 340.467 2.026 20 30 EEEDLO CC(C)(C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)C1CCC1 ZINC001077455812 789729236 /nfs/dbraw/zinc/72/92/36/789729236.db2.gz GDIXFZYGADUCKL-RTBURBONSA-N 1 2 340.467 2.026 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](Cc2cccc(OC)c2C)C1 ZINC001030332028 790063816 /nfs/dbraw/zinc/06/38/16/790063816.db2.gz VRZBQQQEAPGVKF-MSOLQXFVSA-N 1 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ZINC001063537554 791262421 /nfs/dbraw/zinc/26/24/21/791262421.db2.gz ZNOXFWLPCNZNSI-CQSZACIVSA-N 1 2 341.390 2.387 20 30 EEEDLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1Nc1cccc(F)c1C#N ZINC001063754332 791665616 /nfs/dbraw/zinc/66/56/16/791665616.db2.gz SBXYZSYNKJEHAZ-BBRMVZONSA-N 1 2 341.390 2.243 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nc(C)no1)C2 ZINC001147369055 791803953 /nfs/dbraw/zinc/80/39/53/791803953.db2.gz SSGUKPANMLGQEW-AWEZNQCLSA-N 1 2 330.432 2.167 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nc(C)no1)C2 ZINC001147369055 791803959 /nfs/dbraw/zinc/80/39/59/791803959.db2.gz SSGUKPANMLGQEW-AWEZNQCLSA-N 1 2 330.432 2.167 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106080737 791831158 /nfs/dbraw/zinc/83/11/58/791831158.db2.gz SCWVXNHAXWRBHC-KBXCAEBGSA-N 1 2 332.448 2.154 20 30 EEEDLO N#Cc1cccnc1NCC[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001063850264 791831786 /nfs/dbraw/zinc/83/17/86/791831786.db2.gz HOEQGULWTYMKIC-INIZCTEOSA-N 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C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1cn(C(C)C)nn1)C2 ZINC001148087403 792171724 /nfs/dbraw/zinc/17/17/24/792171724.db2.gz CRPQXGKPPFYYEH-HZPDHXFCSA-N 1 2 345.491 2.352 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC001148874405 792732567 /nfs/dbraw/zinc/73/25/67/792732567.db2.gz UKMDVEQCTSLNTI-CQSZACIVSA-N 1 2 345.443 2.177 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC001148874405 792732573 /nfs/dbraw/zinc/73/25/73/792732573.db2.gz UKMDVEQCTSLNTI-CQSZACIVSA-N 1 2 345.443 2.177 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ccn(C(C)C)n1)C2 ZINC001148900077 792770622 /nfs/dbraw/zinc/77/06/22/792770622.db2.gz QPQGJVVIYXVGRO-MRXNPFEDSA-N 1 2 346.475 2.089 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ccn(C(C)C)n1)C2 ZINC001148900077 792770633 /nfs/dbraw/zinc/77/06/33/792770633.db2.gz QPQGJVVIYXVGRO-MRXNPFEDSA-N 1 2 346.475 2.089 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC1(NC(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001064401694 793046362 /nfs/dbraw/zinc/04/63/62/793046362.db2.gz GARPCEHALVWRCT-KRWDZBQOSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC1(NC(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001064401694 793046370 /nfs/dbraw/zinc/04/63/70/793046370.db2.gz GARPCEHALVWRCT-KRWDZBQOSA-N 1 2 332.448 2.100 20 30 EEEDLO C[N@@H+](Cc1cc2n(n1)CCC2)C[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC001089175471 793094787 /nfs/dbraw/zinc/09/47/87/793094787.db2.gz UTPOTWSUGGHAEG-IBGZPJMESA-N 1 2 340.471 2.056 20 30 EEEDLO C[N@H+](Cc1cc2n(n1)CCC2)C[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC001089175471 793094794 /nfs/dbraw/zinc/09/47/94/793094794.db2.gz UTPOTWSUGGHAEG-IBGZPJMESA-N 1 2 340.471 2.056 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C)o4)C[C@@]3(C)C2)CC1 ZINC001091979172 793491096 /nfs/dbraw/zinc/49/10/96/793491096.db2.gz UIGOOBULQYKRNO-APWZRJJASA-N 1 2 344.459 2.405 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C)o4)C[C@@]3(C)C2)CC1 ZINC001091979172 793491103 /nfs/dbraw/zinc/49/11/03/793491103.db2.gz UIGOOBULQYKRNO-APWZRJJASA-N 1 2 344.459 2.405 20 30 EEEDLO Cc1nc(N2CC[C@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)c(C)c(C)[nH+]1 ZINC001064683760 793537533 /nfs/dbraw/zinc/53/75/33/793537533.db2.gz SLPLVZZXDQCFEW-MSOLQXFVSA-N 1 2 338.455 2.242 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@H]1O ZINC001092171389 793635064 /nfs/dbraw/zinc/63/50/64/793635064.db2.gz GHNYZNYRXKYIHN-JKSUJKDBSA-N 1 2 346.475 2.060 20 30 EEEDLO Cc1cc(N2C[C@@H]3CCN(C(=O)C#CC(C)C)[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC001090310027 793709787 /nfs/dbraw/zinc/70/97/87/793709787.db2.gz DQEFXJHSRVOTRO-DLBZAZTESA-N 1 2 338.455 2.359 20 30 EEEDLO C[C@@H]1C[C@H](Nc2cccc(F)c2C#N)CCN1C(=O)Cn1cc[nH+]c1 ZINC001064786086 793731182 /nfs/dbraw/zinc/73/11/82/793731182.db2.gz WORINMGGWLBWHJ-ZIAGYGMSSA-N 1 2 341.390 2.385 20 30 EEEDLO CC(=O)N1CCc2sc(C[NH2+]Cc3ccc(C#N)c(F)c3)nc2C1 ZINC001089266087 793851477 /nfs/dbraw/zinc/85/14/77/793851477.db2.gz KDOJVLFVTJLLFA-UHFFFAOYSA-N 1 2 344.415 2.348 20 30 EEEDLO Cc1nc(N2C[C@@H](CNC(=O)[C@@H](C)C#N)[C@H](C)C2)c2c([nH+]1)CCCC2 ZINC001092337069 793859531 /nfs/dbraw/zinc/85/95/31/793859531.db2.gz YODRRJQRXKMUDV-GZBFAFLISA-N 1 2 341.459 2.012 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1csc(C)c1)c1nccn12 ZINC001092402881 793904617 /nfs/dbraw/zinc/90/46/17/793904617.db2.gz WRNJRYMVAVWJOH-CQSZACIVSA-N 1 2 328.441 2.325 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(C)c1F)c1nccn12 ZINC001092372111 793915503 /nfs/dbraw/zinc/91/55/03/793915503.db2.gz GZUKBCRWRIBZQP-HNNXBMFYSA-N 1 2 340.402 2.402 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(F)CCCCC1)c1nccn12 ZINC001092407335 793954793 /nfs/dbraw/zinc/95/47/93/793954793.db2.gz IJWCFUGZTWJLFE-OAHLLOKOSA-N 1 2 344.434 2.151 20 30 EEEDLO C[C@@H](CC(=O)N[C@@H](CNc1ccc(C#N)nc1)C1CC1)n1cc[nH+]c1 ZINC001109991898 806343073 /nfs/dbraw/zinc/34/30/73/806343073.db2.gz UUHSZOAPEPQERM-GUYCJALGSA-N 1 2 338.415 2.108 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001079471442 794808005 /nfs/dbraw/zinc/80/80/05/794808005.db2.gz BRZRLGPPCDHKNL-BDJLRTHQSA-N 1 2 342.374 2.244 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001079471442 794808009 /nfs/dbraw/zinc/80/80/09/794808009.db2.gz BRZRLGPPCDHKNL-BDJLRTHQSA-N 1 2 342.374 2.244 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CCCCO1 ZINC001079581387 794961096 /nfs/dbraw/zinc/96/10/96/794961096.db2.gz MZZZYRQKFQAMQL-XWIAVFTESA-N 1 2 345.418 2.203 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CCCCO1 ZINC001079581387 794961102 /nfs/dbraw/zinc/96/11/02/794961102.db2.gz MZZZYRQKFQAMQL-XWIAVFTESA-N 1 2 345.418 2.203 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]ccc2C)C1 ZINC001079645313 795049561 /nfs/dbraw/zinc/04/95/61/795049561.db2.gz OMIGWZNAJQILQT-ZYHUDNBSSA-N 1 2 326.238 2.282 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]ccc2C)C1 ZINC001079645313 795049568 /nfs/dbraw/zinc/04/95/68/795049568.db2.gz OMIGWZNAJQILQT-ZYHUDNBSSA-N 1 2 326.238 2.282 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)Cc3ccc(F)cn3)CC2)C1 ZINC001093547069 795360992 /nfs/dbraw/zinc/36/09/92/795360992.db2.gz ZHMPCLYWWAWUKO-UHFFFAOYSA-N 1 2 347.434 2.031 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cc[nH]c3CCC)CC2)C1 ZINC001093564951 795374835 /nfs/dbraw/zinc/37/48/35/795374835.db2.gz FWAHHTGEPXUFPV-UHFFFAOYSA-N 1 2 331.460 2.459 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)c3cccnc3)CC2)C1 ZINC001093592551 795405771 /nfs/dbraw/zinc/40/57/71/795405771.db2.gz IVSJXDSQYUFMOG-OAHLLOKOSA-N 1 2 329.444 2.063 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cccc(OC)c3)CC2)C1 ZINC001093595215 795434447 /nfs/dbraw/zinc/43/44/47/795434447.db2.gz QNQKLQKEDYZYPW-UHFFFAOYSA-N 1 2 330.428 2.187 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3c(C)nsc3C)CC2)C1 ZINC001093600394 795441810 /nfs/dbraw/zinc/44/18/10/795441810.db2.gz UCGAGTDGKJZDJT-UHFFFAOYSA-N 1 2 335.473 2.251 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC(N(CC)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001080015783 795485653 /nfs/dbraw/zinc/48/56/53/795485653.db2.gz VORDBTKSKBJENO-UHFFFAOYSA-N 1 2 346.475 2.198 20 30 EEEDLO C=CCCCC(=O)N1CC(N(CC)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001080144137 795621341 /nfs/dbraw/zinc/62/13/41/795621341.db2.gz PMAISNDFODSADW-UHFFFAOYSA-N 1 2 332.448 2.103 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C/C=C\c2ccc(F)cc2)C1 ZINC001108022728 795622085 /nfs/dbraw/zinc/62/20/85/795622085.db2.gz LLPMHZIVVCLFBT-KKHYBRAUSA-N 1 2 344.430 2.459 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C/C=C\c2ccc(F)cc2)C1 ZINC001108022728 795622090 /nfs/dbraw/zinc/62/20/90/795622090.db2.gz LLPMHZIVVCLFBT-KKHYBRAUSA-N 1 2 344.430 2.459 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001094011674 795858780 /nfs/dbraw/zinc/85/87/80/795858780.db2.gz OTDBUZJYHMGJIW-IBGZPJMESA-N 1 2 346.475 2.421 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCCCC3(C)C)nn2)C1 ZINC001094338712 796112966 /nfs/dbraw/zinc/11/29/66/796112966.db2.gz BPVLIZBDRGZEBE-INIZCTEOSA-N 1 2 331.464 2.153 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)c2c(C)noc2C)C1 ZINC001108034574 796176459 /nfs/dbraw/zinc/17/64/59/796176459.db2.gz ZZEQOFSMLIIMSP-UGSOOPFHSA-N 1 2 335.448 2.178 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H](C)c2c(C)noc2C)C1 ZINC001108034574 796176462 /nfs/dbraw/zinc/17/64/62/796176462.db2.gz ZZEQOFSMLIIMSP-UGSOOPFHSA-N 1 2 335.448 2.178 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)oc2C)C[C@H]1C ZINC001080599189 796248388 /nfs/dbraw/zinc/24/83/88/796248388.db2.gz UTMLBWRZNCCENH-UOUZQGKXSA-N 1 2 347.459 2.209 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2nc(C)oc2C)C[C@H]1C ZINC001080599189 796248394 /nfs/dbraw/zinc/24/83/94/796248394.db2.gz UTMLBWRZNCCENH-UOUZQGKXSA-N 1 2 347.459 2.209 20 30 EEEDLO CCN(CCNc1nc(C)ccc1C#N)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001106803178 796641066 /nfs/dbraw/zinc/64/10/66/796641066.db2.gz UDXGOFOGMIZRML-UHFFFAOYSA-N 1 2 340.431 2.223 20 30 EEEDLO C=CCCCC(=O)N(CC)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001081131225 796661551 /nfs/dbraw/zinc/66/15/51/796661551.db2.gz OOBFJPUXJUCYFE-UHFFFAOYSA-N 1 2 346.475 2.396 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc3c([nH]2)CCOC3)[C@H]1C ZINC000993435591 796675595 /nfs/dbraw/zinc/67/55/95/796675595.db2.gz WZDYSDZATRQGQM-OCCSQVGLSA-N 1 2 337.851 2.423 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc3c([nH]2)CCOC3)[C@H]1C ZINC000993435591 796675597 /nfs/dbraw/zinc/67/55/97/796675597.db2.gz WZDYSDZATRQGQM-OCCSQVGLSA-N 1 2 337.851 2.423 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1ccc(C)o1 ZINC001081320224 796711666 /nfs/dbraw/zinc/71/16/66/796711666.db2.gz XAQJTTSPIWUEEC-SJLPKXTDSA-N 1 2 339.395 2.089 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1ccc(C)o1 ZINC001081320224 796711672 /nfs/dbraw/zinc/71/16/72/796711672.db2.gz XAQJTTSPIWUEEC-SJLPKXTDSA-N 1 2 339.395 2.089 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2cccc(CC)c2)C1 ZINC001108035967 796726544 /nfs/dbraw/zinc/72/65/44/796726544.db2.gz LQRVPSKGZZDJQW-FQEVSTJZSA-N 1 2 328.456 2.022 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2cccc(CC)c2)C1 ZINC001108035967 796726549 /nfs/dbraw/zinc/72/65/49/796726549.db2.gz LQRVPSKGZZDJQW-FQEVSTJZSA-N 1 2 328.456 2.022 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(F)cn2)[C@H]1C ZINC000993506877 796759098 /nfs/dbraw/zinc/75/90/98/796759098.db2.gz PATFJIPKHVUQSG-IUODEOHRSA-N 1 2 325.815 2.485 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(F)cn2)[C@H]1C ZINC000993506877 796759102 /nfs/dbraw/zinc/75/91/02/796759102.db2.gz PATFJIPKHVUQSG-IUODEOHRSA-N 1 2 325.815 2.485 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3nnc(C)n3c2)[C@@H]1C ZINC000993523413 796780105 /nfs/dbraw/zinc/78/01/05/796780105.db2.gz RGWJEWCYRXNJPI-SWLSCSKDSA-N 1 2 347.850 2.373 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3nnc(C)n3c2)[C@@H]1C ZINC000993523413 796780109 /nfs/dbraw/zinc/78/01/09/796780109.db2.gz RGWJEWCYRXNJPI-SWLSCSKDSA-N 1 2 347.850 2.373 20 30 EEEDLO CCOC(=O)CC[N@H+](CC(=O)OCC)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172305583 796950632 /nfs/dbraw/zinc/95/06/32/796950632.db2.gz FDYOBIULXKNELC-OAHLLOKOSA-N 1 2 346.427 2.308 20 30 EEEDLO CCOC(=O)CC[N@@H+](CC(=O)OCC)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172305583 796950637 /nfs/dbraw/zinc/95/06/37/796950637.db2.gz FDYOBIULXKNELC-OAHLLOKOSA-N 1 2 346.427 2.308 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3ccc(F)cc3s2)[C@H](OC)C1 ZINC001081909913 796979831 /nfs/dbraw/zinc/97/98/31/796979831.db2.gz SYEOUHSQVZEGJB-HUUCEWRRSA-N 1 2 346.427 2.493 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3ccc(F)cc3s2)[C@H](OC)C1 ZINC001081909913 796979836 /nfs/dbraw/zinc/97/98/36/796979836.db2.gz SYEOUHSQVZEGJB-HUUCEWRRSA-N 1 2 346.427 2.493 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCC(=O)[C@@H](F)CC2)C[C@H]1C#N ZINC001172980247 797180129 /nfs/dbraw/zinc/18/01/29/797180129.db2.gz LVUHVHBZORVKPX-IHRRRGAJSA-N 1 2 339.411 2.281 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC(=O)[C@@H](F)CC2)C[C@H]1C#N ZINC001172980247 797180132 /nfs/dbraw/zinc/18/01/32/797180132.db2.gz 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/nfs/dbraw/zinc/84/07/13/797840713.db2.gz UJMVUZIUNQSCKF-CXMPNGEBSA-N 1 2 345.468 2.077 20 30 EEEDLO CC(C)=C(F)C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001083047710 797841996 /nfs/dbraw/zinc/84/19/96/797841996.db2.gz RAZVSVBTLOCXEO-DLBZAZTESA-N 1 2 343.402 2.233 20 30 EEEDLO CC(C)=C(F)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001083047710 797842003 /nfs/dbraw/zinc/84/20/03/797842003.db2.gz RAZVSVBTLOCXEO-DLBZAZTESA-N 1 2 343.402 2.233 20 30 EEEDLO C=CCC1(C(=O)NCCC[NH2+]CC(F)(F)C(F)F)CCOCC1 ZINC001174827529 797881526 /nfs/dbraw/zinc/88/15/26/797881526.db2.gz IRZPBFBLRYZJEH-UHFFFAOYSA-N 1 2 340.361 2.356 20 30 EEEDLO COC(=O)c1cc(C#N)cc(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001174979215 797962013 /nfs/dbraw/zinc/96/20/13/797962013.db2.gz HBFQDNHUCSAEGM-UHFFFAOYSA-N 1 2 338.367 2.320 20 30 EEEDLO CC(F)(F)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084149516 797999857 /nfs/dbraw/zinc/99/98/57/797999857.db2.gz NFDXKABDFPZNHQ-GDBMZVCRSA-N 1 2 336.357 2.365 20 30 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/nfs/dbraw/zinc/07/60/55/798076055.db2.gz YYWCLNJTAJDIDY-SHTZXODSSA-N 1 2 332.448 2.100 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@H](Nc2ncccc2C#N)C1 ZINC001061099546 798216590 /nfs/dbraw/zinc/21/65/90/798216590.db2.gz XDIUTCZNZBVNJG-CABCVRRESA-N 1 2 338.415 2.067 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)C3(CF)CC3)[C@@H]2C1 ZINC001084650758 798339533 /nfs/dbraw/zinc/33/95/33/798339533.db2.gz MANUHJYSUKQJNK-IAGOWNOFSA-N 1 2 327.403 2.341 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)C3(CF)CC3)[C@@H]2C1 ZINC001084650758 798339540 /nfs/dbraw/zinc/33/95/40/798339540.db2.gz MANUHJYSUKQJNK-IAGOWNOFSA-N 1 2 327.403 2.341 20 30 EEEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)OC)c2C1 ZINC001128240833 798477930 /nfs/dbraw/zinc/47/79/30/798477930.db2.gz QZTUDRVKEBCYPP-OAHLLOKOSA-N 1 2 334.464 2.096 20 30 EEEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)OC)c2C1 ZINC001128240833 798477931 /nfs/dbraw/zinc/47/79/31/798477931.db2.gz QZTUDRVKEBCYPP-OAHLLOKOSA-N 1 2 334.464 2.096 20 30 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ZINC001177020390 798699361 /nfs/dbraw/zinc/69/93/61/798699361.db2.gz YQFUJTMCBXYTBN-RBUKOAKNSA-N 1 2 348.487 2.259 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCOCCCC)[C@@H]2C1 ZINC001177086843 798741217 /nfs/dbraw/zinc/74/12/17/798741217.db2.gz ATOHKAXGDIERCK-MSOLQXFVSA-N 1 2 338.492 2.461 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]2OCC[N@H+](CCOCCCC)[C@@H]2C1 ZINC001177086843 798741220 /nfs/dbraw/zinc/74/12/20/798741220.db2.gz ATOHKAXGDIERCK-MSOLQXFVSA-N 1 2 338.492 2.461 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)C[C@H]2CCCN2C(=O)[C@H](C)C#N)c(C)[nH+]1 ZINC001002924662 798828381 /nfs/dbraw/zinc/82/83/81/798828381.db2.gz PDMHKVJUPAYSHM-CZUORRHYSA-N 1 2 342.443 2.230 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@]1(C)CCN(c2cc[nH+]c(C)n2)C1 ZINC001065354626 798945815 /nfs/dbraw/zinc/94/58/15/798945815.db2.gz WNLFRQQDOJZIFA-GOSISDBHSA-N 1 2 325.416 2.171 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C3CCC3)C2)CC1 ZINC001065677278 799328648 /nfs/dbraw/zinc/32/86/48/799328648.db2.gz QDBKOAVOUAHGDF-SJLPKXTDSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC3CCCC3)C2)CC1 ZINC001065682668 799339359 /nfs/dbraw/zinc/33/93/59/799339359.db2.gz MBOWJYPJUXFXPL-SFHVURJKSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)C=C(C)C)CC2)C1 ZINC001065705387 799354020 /nfs/dbraw/zinc/35/40/20/799354020.db2.gz YLESNRGMOWDKFO-KRWDZBQOSA-N 1 2 347.503 2.300 20 30 EEEDLO C=C(C)CCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)CC)C2)CC1 ZINC001065688147 799359792 /nfs/dbraw/zinc/35/97/92/799359792.db2.gz BLHWBVVGYPSIET-IRXDYDNUSA-N 1 2 335.492 2.134 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)/C(C)=C/C)C2)CC1 ZINC001065698344 799383120 /nfs/dbraw/zinc/38/31/20/799383120.db2.gz GNUHANHAHNGTGZ-VUTNHFHASA-N 1 2 347.503 2.300 20 30 EEEDLO C=C(C)CCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C3(C)CCC3)C2)CC1 ZINC001065708393 799401370 /nfs/dbraw/zinc/40/13/70/799401370.db2.gz BDLLVCGCHFIELV-QGZVFWFLSA-N 1 2 347.503 2.278 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)/C(C)=C/C)CC2)C1 ZINC001065710879 799407816 /nfs/dbraw/zinc/40/78/16/799407816.db2.gz FFPZZBCRVSNGTI-VUTNHFHASA-N 1 2 347.503 2.300 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C=C(C)C)CC2)C1 ZINC001065712238 799409593 /nfs/dbraw/zinc/40/95/93/799409593.db2.gz VVBKCRDKFZUBFT-ZWKOTPCHSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)C(C)(C)C)C2)CC1 ZINC001065713343 799413344 /nfs/dbraw/zinc/41/33/44/799413344.db2.gz QGFSYPILAJQXRO-INIZCTEOSA-N 1 2 349.519 2.380 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)C(C)(C)C)C2)CC1 ZINC001065713511 799414185 /nfs/dbraw/zinc/41/41/85/799414185.db2.gz UZWGEBJDKQTQGW-IRXDYDNUSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)CCc2cncc(C(F)(F)F)c2)CC1 ZINC001178457346 799483438 /nfs/dbraw/zinc/48/34/38/799483438.db2.gz LXFILUNRZPTPKJ-UHFFFAOYSA-N 1 2 327.350 2.363 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H]([NH2+]Cc2nc([C@H](C)OC)no2)[C@@H]1C ZINC001178503600 799519845 /nfs/dbraw/zinc/51/98/45/799519845.db2.gz HJTBUUVECRUZIS-KKUMJFAQSA-N 1 2 348.447 2.050 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@]2(C)CCO[C@@H]2C)CC1 ZINC001003365553 799581326 /nfs/dbraw/zinc/58/13/26/799581326.db2.gz BGGSFEYARLWHCG-IUODEOHRSA-N 1 2 345.281 2.291 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001066185366 800160035 /nfs/dbraw/zinc/16/00/35/800160035.db2.gz ZKTJIQRWACTZQG-INIZCTEOSA-N 1 2 346.475 2.373 20 30 EEEDLO CN(C(=O)c1ccncc1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032870020 800215528 /nfs/dbraw/zinc/21/55/28/800215528.db2.gz TUTPPKJPBJWQSH-KRWDZBQOSA-N 1 2 338.386 2.439 20 30 EEEDLO CN(C(=O)c1ccncc1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032870020 800215530 /nfs/dbraw/zinc/21/55/30/800215530.db2.gz TUTPPKJPBJWQSH-KRWDZBQOSA-N 1 2 338.386 2.439 20 30 EEEDLO Cc1nnsc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001032900209 800293895 /nfs/dbraw/zinc/29/38/95/800293895.db2.gz QTYXEYLUSYWLDI-LLVKDONJSA-N 1 2 347.469 2.126 20 30 EEEDLO Cc1nnsc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001032900209 800293897 /nfs/dbraw/zinc/29/38/97/800293897.db2.gz QTYXEYLUSYWLDI-LLVKDONJSA-N 1 2 347.469 2.126 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)[nH]n1 ZINC001032933775 800476014 /nfs/dbraw/zinc/47/60/14/800476014.db2.gz BGHFVSIBLDMMOZ-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)[nH]n1 ZINC001032933775 800476018 /nfs/dbraw/zinc/47/60/18/800476018.db2.gz BGHFVSIBLDMMOZ-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)n[nH]1 ZINC001032933775 800476022 /nfs/dbraw/zinc/47/60/22/800476022.db2.gz BGHFVSIBLDMMOZ-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)n[nH]1 ZINC001032933775 800476025 /nfs/dbraw/zinc/47/60/25/800476025.db2.gz BGHFVSIBLDMMOZ-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)C2CCC2)cc1C#N ZINC001085449848 800522043 /nfs/dbraw/zinc/52/20/43/800522043.db2.gz DPXRXYSNTNUNLY-QGZVFWFLSA-N 1 2 327.428 2.400 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CN(C)C(=O)C2CCC2)cc1C#N ZINC001085449848 800522048 /nfs/dbraw/zinc/52/20/48/800522048.db2.gz DPXRXYSNTNUNLY-QGZVFWFLSA-N 1 2 327.428 2.400 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1CCCOCC1 ZINC001085572445 800803606 /nfs/dbraw/zinc/80/36/06/800803606.db2.gz YJNQWNLDUAHNDS-UXHICEINSA-N 1 2 340.467 2.388 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1CCCOCC1 ZINC001085572445 800803609 /nfs/dbraw/zinc/80/36/09/800803609.db2.gz YJNQWNLDUAHNDS-UXHICEINSA-N 1 2 340.467 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001033096887 801591954 /nfs/dbraw/zinc/59/19/54/801591954.db2.gz PIAAQNMGWDVYJM-HNNXBMFYSA-N 1 2 336.867 2.047 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001033096887 801591959 /nfs/dbraw/zinc/59/19/59/801591959.db2.gz PIAAQNMGWDVYJM-HNNXBMFYSA-N 1 2 336.867 2.047 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(=O)CC)C1 ZINC001033104545 801758924 /nfs/dbraw/zinc/75/89/24/801758924.db2.gz XIFVEJQVRGYONE-CABCVRRESA-N 1 2 341.883 2.063 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCCN2C(=O)CC)C1 ZINC001033104545 801758928 /nfs/dbraw/zinc/75/89/28/801758928.db2.gz XIFVEJQVRGYONE-CABCVRRESA-N 1 2 341.883 2.063 20 30 EEEDLO CO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001110342238 801805312 /nfs/dbraw/zinc/80/53/12/801805312.db2.gz QKSMPVPVBJQONO-LIRZEXBASA-N 1 2 346.858 2.448 20 30 EEEDLO CO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001110342238 801805318 /nfs/dbraw/zinc/80/53/18/801805318.db2.gz QKSMPVPVBJQONO-LIRZEXBASA-N 1 2 346.858 2.448 20 30 EEEDLO CCc1nnc(C)cc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004473095 802163320 /nfs/dbraw/zinc/16/33/20/802163320.db2.gz KYRFXQBHIGAPAM-SFHVURJKSA-N 1 2 341.459 2.188 20 30 EEEDLO CCc1nnc(C)cc1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004473095 802163325 /nfs/dbraw/zinc/16/33/25/802163325.db2.gz KYRFXQBHIGAPAM-SFHVURJKSA-N 1 2 341.459 2.188 20 30 EEEDLO N#CCN1CCC[C@H]1C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001004475411 802173779 /nfs/dbraw/zinc/17/37/79/802173779.db2.gz UEFSONPPIJLTJM-SFHVURJKSA-N 1 2 337.427 2.403 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001004475411 802173784 /nfs/dbraw/zinc/17/37/84/802173784.db2.gz UEFSONPPIJLTJM-SFHVURJKSA-N 1 2 337.427 2.403 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001004475411 802173788 /nfs/dbraw/zinc/17/37/88/802173788.db2.gz UEFSONPPIJLTJM-SFHVURJKSA-N 1 2 337.427 2.403 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)c2[nH]nc3c2CCC3)C1 ZINC001086135496 802256312 /nfs/dbraw/zinc/25/63/12/802256312.db2.gz IKSSGVHHRVRERD-AKAXFMLLSA-N 1 2 349.438 2.068 20 30 EEEDLO Cc1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c(C)n1C ZINC001004623090 802485401 /nfs/dbraw/zinc/48/54/01/802485401.db2.gz PKQIXDDYNQSMQV-SFHVURJKSA-N 1 2 328.460 2.482 20 30 EEEDLO Cc1cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c(C)n1C ZINC001004623090 802485404 /nfs/dbraw/zinc/48/54/04/802485404.db2.gz PKQIXDDYNQSMQV-SFHVURJKSA-N 1 2 328.460 2.482 20 30 EEEDLO COC1CC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001033170296 802750447 /nfs/dbraw/zinc/75/04/47/802750447.db2.gz FNEOTNJHJIUTEX-ZCDVPAHGSA-N 1 2 345.418 2.155 20 30 EEEDLO COC1CC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001033170296 802750451 /nfs/dbraw/zinc/75/04/51/802750451.db2.gz FNEOTNJHJIUTEX-ZCDVPAHGSA-N 1 2 345.418 2.155 20 30 EEEDLO C[C@H](CCCCNc1ccc(C#N)cn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001090108339 802772012 /nfs/dbraw/zinc/77/20/12/802772012.db2.gz LPRKSRMFNZFKEW-CYBMUJFWSA-N 1 2 326.404 2.006 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2C[C@H]([NH2+][C@@H](C)c3noc(C)n3)C2)cc1 ZINC001086445432 802981699 /nfs/dbraw/zinc/98/16/99/802981699.db2.gz VTTJMLYMJJRDBR-NUTKFTJISA-N 1 2 338.411 2.219 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2csc(C(C)(C)C)n2)C1 ZINC001108280079 803067752 /nfs/dbraw/zinc/06/77/52/803067752.db2.gz MWNNOBTVJAGPQU-KRWDZBQOSA-N 1 2 337.489 2.447 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2csc(C(C)(C)C)n2)C1 ZINC001108280079 803067757 /nfs/dbraw/zinc/06/77/57/803067757.db2.gz MWNNOBTVJAGPQU-KRWDZBQOSA-N 1 2 337.489 2.447 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnn(CCCC)c2CC)C1 ZINC001108331640 803303843 /nfs/dbraw/zinc/30/38/43/803303843.db2.gz SIUZYMGLSWNSGP-IBGZPJMESA-N 1 2 348.491 2.252 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnn(CCCC)c2CC)C1 ZINC001108331640 803303849 /nfs/dbraw/zinc/30/38/49/803303849.db2.gz SIUZYMGLSWNSGP-IBGZPJMESA-N 1 2 348.491 2.252 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001108373166 803387396 /nfs/dbraw/zinc/38/73/96/803387396.db2.gz PJYNOMVYJAFGQZ-SJLPKXTDSA-N 1 2 334.847 2.373 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001108373166 803387404 /nfs/dbraw/zinc/38/74/04/803387404.db2.gz PJYNOMVYJAFGQZ-SJLPKXTDSA-N 1 2 334.847 2.373 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2csc3c2CCCC3)C1 ZINC001108385341 803430557 /nfs/dbraw/zinc/43/05/57/803430557.db2.gz DYQIFDKBEMWSGF-LJQANCHMSA-N 1 2 346.496 2.471 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2csc3c2CCCC3)C1 ZINC001108385341 803430561 /nfs/dbraw/zinc/43/05/61/803430561.db2.gz DYQIFDKBEMWSGF-LJQANCHMSA-N 1 2 346.496 2.471 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2ccc(C)s2)C1 ZINC001108445953 803601459 /nfs/dbraw/zinc/60/14/59/803601459.db2.gz WDSBNMGLEOOEPO-GOSISDBHSA-N 1 2 334.485 2.220 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCc2ccc(C)s2)C1 ZINC001108445953 803601460 /nfs/dbraw/zinc/60/14/60/803601460.db2.gz WDSBNMGLEOOEPO-GOSISDBHSA-N 1 2 334.485 2.220 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](C)CCC(C)(C)C)CC2=O)C1 ZINC001108584304 804210515 /nfs/dbraw/zinc/21/05/15/804210515.db2.gz DTQCAQGHKMNJAR-GJZGRUSLSA-N 1 2 335.492 2.036 20 30 EEEDLO COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001108847099 804575496 /nfs/dbraw/zinc/57/54/96/804575496.db2.gz MUZSSLPVPRRUDC-IKGGRYGDSA-N 1 2 332.831 2.059 20 30 EEEDLO COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001108847099 804575501 /nfs/dbraw/zinc/57/55/01/804575501.db2.gz MUZSSLPVPRRUDC-IKGGRYGDSA-N 1 2 332.831 2.059 20 30 EEEDLO Cc1cc(N(C)C[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)nc(C(C)C)[nH+]1 ZINC001108940807 804715465 /nfs/dbraw/zinc/71/54/65/804715465.db2.gz KMKOWCPFBKUCRT-CYBMUJFWSA-N 1 2 340.431 2.363 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)CN(C)c2nc(C)[nH+]c(C)c2C)nc1 ZINC001109031057 804843704 /nfs/dbraw/zinc/84/37/04/804843704.db2.gz LWLAGERFJWNOFK-LBPRGKRZSA-N 1 2 337.427 2.033 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)CN(C)c2cc(C)[nH+]c(C3CC3)n2)nc1 ZINC001109031568 804844796 /nfs/dbraw/zinc/84/47/96/804844796.db2.gz QNPPVUBPBGURBV-CQSZACIVSA-N 1 2 349.438 2.293 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(Cl)n1 ZINC001109213324 805128521 /nfs/dbraw/zinc/12/85/21/805128521.db2.gz OTMASNUCVKOFGY-LLDVTBCESA-N 1 2 349.862 2.284 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(Cl)n1 ZINC001109213324 805128526 /nfs/dbraw/zinc/12/85/26/805128526.db2.gz OTMASNUCVKOFGY-LLDVTBCESA-N 1 2 349.862 2.284 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001109213141 805128623 /nfs/dbraw/zinc/12/86/23/805128623.db2.gz MYZCAGVVEAXSCT-FHIRATQRSA-N 1 2 335.473 2.000 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001109213141 805128627 /nfs/dbraw/zinc/12/86/27/805128627.db2.gz MYZCAGVVEAXSCT-FHIRATQRSA-N 1 2 335.473 2.000 20 30 EEEDLO CCC(C)(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109261057 805207827 /nfs/dbraw/zinc/20/78/27/805207827.db2.gz RWVHNXQTFXTAIO-PMPSAXMXSA-N 1 2 347.503 2.062 20 30 EEEDLO CCC(C)(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109261057 805207835 /nfs/dbraw/zinc/20/78/35/805207835.db2.gz RWVHNXQTFXTAIO-PMPSAXMXSA-N 1 2 347.503 2.062 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(=O)[nH]c1 ZINC001156701186 805444727 /nfs/dbraw/zinc/44/47/27/805444727.db2.gz MYTGJRJXSJEXGD-LLVKDONJSA-N 1 2 342.237 2.136 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(=O)[nH]c1 ZINC001156701186 805444731 /nfs/dbraw/zinc/44/47/31/805444731.db2.gz MYTGJRJXSJEXGD-LLVKDONJSA-N 1 2 342.237 2.136 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[NH+](CCCCC(F)(F)F)CC2)c[nH]1 ZINC001112773006 807197915 /nfs/dbraw/zinc/19/79/15/807197915.db2.gz XOGFURIFNKXLLZ-UHFFFAOYSA-N 1 2 328.338 2.377 20 30 EEEDLO COc1ccc(OCC[NH+]2CCN(C(=O)C#CC(C)(C)C)CC2)cc1 ZINC001112834415 807357805 /nfs/dbraw/zinc/35/78/05/807357805.db2.gz MRQJQZAZZATWGZ-UHFFFAOYSA-N 1 2 344.455 2.268 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC1CC(CNc2[nH+]cnc3c2cnn3C)C1 ZINC001112869150 807505004 /nfs/dbraw/zinc/50/50/04/807505004.db2.gz PVYZHYINPCJCBR-PWGQDJSOSA-N 1 2 342.447 2.272 20 30 EEEDLO C=C(C)[C@H](CC(=O)N1CC[NH+](CCOCC(C)C)CC1)OCC ZINC001112906840 807577365 /nfs/dbraw/zinc/57/73/65/807577365.db2.gz QGTBEYMQWHDLOC-KRWDZBQOSA-N 1 2 326.481 2.175 20 30 EEEDLO C=CCOCC(=O)N[C@H](C)[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001112923952 807605082 /nfs/dbraw/zinc/60/50/82/807605082.db2.gz QTQHOLWUIJSHIG-CHWSQXEVSA-N 1 2 332.448 2.172 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc3oc(C)nc3c2)CC1 ZINC001112997748 807812073 /nfs/dbraw/zinc/81/20/73/807812073.db2.gz NQAFJDUGSBNWNK-UHFFFAOYSA-N 1 2 329.400 2.097 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](CCOCC3CCC3)CC2)cc1 ZINC001113180035 808361004 /nfs/dbraw/zinc/36/10/04/808361004.db2.gz YXCMFTSYEDQAJM-UHFFFAOYSA-N 1 2 326.440 2.242 20 30 EEEDLO C=C(C)CCC(=O)N[C@H](C)[C@@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001113193305 808398492 /nfs/dbraw/zinc/39/84/92/808398492.db2.gz GVYNDTKIPTWKDO-ZIAGYGMSSA-N 1 2 331.464 2.126 20 30 EEEDLO C=C(C)CCC(=O)N[C@H](C)[C@@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001113193305 808398499 /nfs/dbraw/zinc/39/84/99/808398499.db2.gz GVYNDTKIPTWKDO-ZIAGYGMSSA-N 1 2 331.464 2.126 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2oc3ccccc3c2OC)CC1 ZINC001113184628 808401364 /nfs/dbraw/zinc/40/13/64/808401364.db2.gz PYDVUERDJWPNRK-UHFFFAOYSA-N 1 2 344.411 2.402 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001086587218 808700638 /nfs/dbraw/zinc/70/06/38/808700638.db2.gz KENGADIQRASDHQ-LSDHHAIUSA-N 1 2 330.819 2.360 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001086587218 808700646 /nfs/dbraw/zinc/70/06/46/808700646.db2.gz KENGADIQRASDHQ-LSDHHAIUSA-N 1 2 330.819 2.360 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001113316289 808714164 /nfs/dbraw/zinc/71/41/64/808714164.db2.gz GIHSTFNEVSMCCR-RYUDHWBXSA-N 1 2 334.468 2.153 20 30 EEEDLO C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)Nc1ccc(C#N)cn1 ZINC001113350742 808762938 /nfs/dbraw/zinc/76/29/38/808762938.db2.gz XYSCDDBZJOVQMG-NWDGAFQWSA-N 1 2 334.383 2.448 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(C)c(OCC)c2)CC1 ZINC001113397768 808895408 /nfs/dbraw/zinc/89/54/08/808895408.db2.gz MQTWQNWPESRECI-UHFFFAOYSA-N 1 2 332.444 2.354 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)C(C)(C)c2cccc(OC)c2)CC1 ZINC001113494183 809079146 /nfs/dbraw/zinc/07/91/46/809079146.db2.gz MOQKDDXVARICLL-UHFFFAOYSA-N 1 2 346.471 2.320 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc3ccccc3n2)CC1 ZINC001113573690 809269631 /nfs/dbraw/zinc/26/96/31/809269631.db2.gz GPRRAJDZLQBTEH-UHFFFAOYSA-N 1 2 325.412 2.195 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001113713612 809619009 /nfs/dbraw/zinc/61/90/09/809619009.db2.gz UIIGAPCPPSARJX-HZPDHXFCSA-N 1 2 332.444 2.492 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC001113714736 809621681 /nfs/dbraw/zinc/62/16/81/809621681.db2.gz LYRXTQFWXCRCCZ-SFHVURJKSA-N 1 2 346.471 2.418 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC001113916384 810068980 /nfs/dbraw/zinc/06/89/80/810068980.db2.gz DTGUITHJBLCYKZ-QRTARXTBSA-N 1 2 332.448 2.097 20 30 EEEDLO N#Cc1c(=O)n(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc2c1CCCC2 ZINC000793515462 810378818 /nfs/dbraw/zinc/37/88/18/810378818.db2.gz JSNIIMKWNGHRNI-ROUUACIJSA-N 1 2 327.428 2.200 20 30 EEEDLO N#Cc1c(=O)n(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc2c1CCCC2 ZINC000793515462 810378824 /nfs/dbraw/zinc/37/88/24/810378824.db2.gz JSNIIMKWNGHRNI-ROUUACIJSA-N 1 2 327.428 2.200 20 30 EEEDLO CC[C@H](C)OCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114153467 810468918 /nfs/dbraw/zinc/46/89/18/810468918.db2.gz NSKHLTJGRJFUCD-SPVIKVHDSA-N 1 2 345.418 2.059 20 30 EEEDLO CC[C@H](C)OCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114153467 810468924 /nfs/dbraw/zinc/46/89/24/810468924.db2.gz NSKHLTJGRJFUCD-SPVIKVHDSA-N 1 2 345.418 2.059 20 30 EEEDLO N#Cc1ccc(NCC2(NC(=O)Cc3c[nH]c[nH+]3)CCCCC2)cn1 ZINC001114181656 810546224 /nfs/dbraw/zinc/54/62/24/810546224.db2.gz SADTZXXIUBHWDS-UHFFFAOYSA-N 1 2 338.415 2.150 20 30 EEEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](CC)CC(C)C)CC1 ZINC001131393376 812784653 /nfs/dbraw/zinc/78/46/53/812784653.db2.gz WIIVYYTZKFOVNR-QGZVFWFLSA-N 1 2 337.508 2.285 20 30 EEEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H](CC)CC(C)C)CC1 ZINC001131393376 812784661 /nfs/dbraw/zinc/78/46/61/812784661.db2.gz WIIVYYTZKFOVNR-QGZVFWFLSA-N 1 2 337.508 2.285 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](NC(C)=O)C(C)(C)C ZINC001437044870 1088922577 /nfs/dbraw/zinc/92/25/77/1088922577.db2.gz JAVQKZQLNGQJGV-LSDHHAIUSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](NC(C)=O)C(C)(C)C ZINC001437044870 1088922591 /nfs/dbraw/zinc/92/25/91/1088922591.db2.gz JAVQKZQLNGQJGV-LSDHHAIUSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)CCc2cnccn2)C1 ZINC001437911279 1090493537 /nfs/dbraw/zinc/49/35/37/1090493537.db2.gz PKSDUFKHOOWYQX-INIZCTEOSA-N 1 2 336.867 2.475 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)CCc2cnccn2)C1 ZINC001437911279 1090493540 /nfs/dbraw/zinc/49/35/40/1090493540.db2.gz PKSDUFKHOOWYQX-INIZCTEOSA-N 1 2 336.867 2.475 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](C)NC(=O)c1cccs1 ZINC001438893232 1091540972 /nfs/dbraw/zinc/54/09/72/1091540972.db2.gz GZKIPNWGFXMFDG-LBPRGKRZSA-N 1 2 343.880 2.009 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](C)NC(=O)c1cccs1 ZINC001438893232 1091540978 /nfs/dbraw/zinc/54/09/78/1091540978.db2.gz GZKIPNWGFXMFDG-LBPRGKRZSA-N 1 2 343.880 2.009 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(-n2cccn2)n1 ZINC001445828119 1091717453 /nfs/dbraw/zinc/71/74/53/1091717453.db2.gz WYTCCCDYKMKJKI-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cccc(-n2cccn2)n1 ZINC001445828119 1091717459 /nfs/dbraw/zinc/71/74/59/1091717459.db2.gz WYTCCCDYKMKJKI-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC001445872248 1091795717 /nfs/dbraw/zinc/79/57/17/1091795717.db2.gz GGTJDXKNODLIFP-LLVKDONJSA-N 1 2 336.823 2.082 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC001445872248 1091795721 /nfs/dbraw/zinc/79/57/21/1091795721.db2.gz GGTJDXKNODLIFP-LLVKDONJSA-N 1 2 336.823 2.082 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)COc2ccccc2)s1 ZINC001439566853 1092449882 /nfs/dbraw/zinc/44/98/82/1092449882.db2.gz PYDSAAZNEBSJJN-AWEZNQCLSA-N 1 2 341.436 2.389 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)COc2ccccc2)s1 ZINC001439566853 1092449883 /nfs/dbraw/zinc/44/98/83/1092449883.db2.gz PYDSAAZNEBSJJN-AWEZNQCLSA-N 1 2 341.436 2.389 20 30 EEEDLO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001442382567 1096704573 /nfs/dbraw/zinc/70/45/73/1096704573.db2.gz UGJQBHVQDQVRTC-WDEREUQCSA-N 1 2 333.417 2.067 20 30 EEEDLO C[C@H](c1nnc(-c2cccs2)o1)[N@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001442382567 1096704579 /nfs/dbraw/zinc/70/45/79/1096704579.db2.gz UGJQBHVQDQVRTC-WDEREUQCSA-N 1 2 333.417 2.067 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001494320147 1103892792 /nfs/dbraw/zinc/89/27/92/1103892792.db2.gz JCPPSZDFEDNMAM-HIFRSBDPSA-N 1 2 349.500 2.250 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001494320147 1103892800 /nfs/dbraw/zinc/89/28/00/1103892800.db2.gz JCPPSZDFEDNMAM-HIFRSBDPSA-N 1 2 349.500 2.250 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(C)nc2cc(C)nn21 ZINC001448145356 1104103819 /nfs/dbraw/zinc/10/38/19/1104103819.db2.gz QJAUSEOGNGUSHS-ZDUSSCGKSA-N 1 2 335.839 2.149 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(C)nc2cc(C)nn21 ZINC001448145356 1104103822 /nfs/dbraw/zinc/10/38/22/1104103822.db2.gz QJAUSEOGNGUSHS-ZDUSSCGKSA-N 1 2 335.839 2.149 20 30 EEEDLO N#Cc1ccccc1C[NH2+]C1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001499233155 1112192010 /nfs/dbraw/zinc/19/20/10/1112192010.db2.gz RGTZBKHFJXCSOK-GFCCVEGCSA-N 1 2 329.297 2.197 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1CC(C)C ZINC001524837631 1120231878 /nfs/dbraw/zinc/23/18/78/1120231878.db2.gz NHTYECHGODJUSX-HOTGVXAUSA-N 1 2 333.480 2.174 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1CC(C)C ZINC001524837631 1120231880 /nfs/dbraw/zinc/23/18/80/1120231880.db2.gz NHTYECHGODJUSX-HOTGVXAUSA-N 1 2 333.480 2.174 20 30 EEEDLO CC(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000050991786 214074295 /nfs/dbraw/zinc/07/42/95/214074295.db2.gz VCQXOGOOQLWJBP-LLVKDONJSA-N 1 2 348.834 2.139 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000052892440 214153922 /nfs/dbraw/zinc/15/39/22/214153922.db2.gz BRKMWRLDTCSBSY-UHFFFAOYSA-N 1 2 332.444 2.487 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000052892440 214153924 /nfs/dbraw/zinc/15/39/24/214153924.db2.gz BRKMWRLDTCSBSY-UHFFFAOYSA-N 1 2 332.444 2.487 20 30 EEEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)NCC2CCCCC2)CC1 ZINC000101554997 219136124 /nfs/dbraw/zinc/13/61/24/219136124.db2.gz RZJMPJJTRKMNFF-UHFFFAOYSA-N 1 2 340.471 2.377 20 30 EEEDLO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554476 219136136 /nfs/dbraw/zinc/13/61/36/219136136.db2.gz YVSLNMZGEYIBCN-HZPDHXFCSA-N 1 2 328.460 2.374 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NCC2CC(F)(F)C2)CCO1 ZINC000330233019 539790210 /nfs/dbraw/zinc/79/02/10/539790210.db2.gz XQIKYFCJRCSAPW-AAEUAGOBSA-N 1 2 328.363 2.189 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NC[C@@H]1CC[C@H](O)C1)C2 ZINC000329941393 539786038 /nfs/dbraw/zinc/78/60/38/539786038.db2.gz VAKQTZUXRVKUSE-RDBSUJKOSA-N 1 2 334.464 2.160 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+]C[C@@H]1CC[C@H](O)C1)C2 ZINC000329941393 539786041 /nfs/dbraw/zinc/78/60/41/539786041.db2.gz VAKQTZUXRVKUSE-RDBSUJKOSA-N 1 2 334.464 2.160 20 30 EEEDLO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3C#N)C2=O)c1 ZINC000333667253 539804667 /nfs/dbraw/zinc/80/46/67/539804667.db2.gz XNCVWJWBMCQQGN-VUCTXSBTSA-N 1 2 329.400 2.091 20 30 EEEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCc4ccccc4NC3=O)CC2)nc1 ZINC000191957999 283160956 /nfs/dbraw/zinc/16/09/56/283160956.db2.gz VMGLCBXZSXXAAD-GOSISDBHSA-N 1 2 347.422 2.029 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1coc(-c2ccccc2)n1 ZINC000078687760 236991097 /nfs/dbraw/zinc/99/10/97/236991097.db2.gz BHLYFOLPQAGZNZ-UHFFFAOYSA-N 1 2 340.427 2.389 20 30 EEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000088524335 237019085 /nfs/dbraw/zinc/01/90/85/237019085.db2.gz SHLNIGNZETVHAG-IEBWSBKVSA-N 1 2 340.471 2.270 20 30 EEEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000330262299 238188003 /nfs/dbraw/zinc/18/80/03/238188003.db2.gz UUVOBJVXQIETIW-GJZGRUSLSA-N 1 2 345.447 2.082 20 30 EEEDLO CCC(CC)[C@@H](C(=O)NCc1ccc(C#N)s1)[NH+]1CCOCC1 ZINC000421924643 240056737 /nfs/dbraw/zinc/05/67/37/240056737.db2.gz UMMKQEJCDZNWRA-INIZCTEOSA-N 1 2 335.473 2.373 20 30 EEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NCC(C)(C)CC#N ZINC000422493592 240155109 /nfs/dbraw/zinc/15/51/09/240155109.db2.gz YPVSXTMQHLQMKM-CQSZACIVSA-N 1 2 345.447 2.013 20 30 EEEDLO C=CCCn1cc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)nn1 ZINC000424768912 241040554 /nfs/dbraw/zinc/04/05/54/241040554.db2.gz ATEIOBKJENPMOK-CQSZACIVSA-N 1 2 345.472 2.435 20 30 EEEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455708358 244064291 /nfs/dbraw/zinc/06/42/91/244064291.db2.gz TVYKCYQXZIFJFS-ZDUSSCGKSA-N 1 2 349.866 2.163 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000495017353 247052959 /nfs/dbraw/zinc/05/29/59/247052959.db2.gz MGKQDQWPBLUBLT-KRWDZBQOSA-N 1 2 347.459 2.161 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000495017353 247052961 /nfs/dbraw/zinc/05/29/61/247052961.db2.gz MGKQDQWPBLUBLT-KRWDZBQOSA-N 1 2 347.459 2.161 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3scnc3C)n2CC(C)C)CC1 ZINC000491487012 533159618 /nfs/dbraw/zinc/15/96/18/533159618.db2.gz ZVKYAEZKTDCFPP-UHFFFAOYSA-N 1 2 344.488 2.121 20 30 EEEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1nnc2ccccn21 ZINC000172613073 152101351 /nfs/dbraw/zinc/10/13/51/152101351.db2.gz GDIYUQBOTOSLMH-OLZOCXBDSA-N 1 2 334.383 2.279 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000352304409 153047200 /nfs/dbraw/zinc/04/72/00/153047200.db2.gz YPQZTPMKCZDPOR-HNNXBMFYSA-N 1 2 330.413 2.030 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1C#N ZINC000068115553 159015889 /nfs/dbraw/zinc/01/58/89/159015889.db2.gz OWLNOHVDXPFPPY-LBPRGKRZSA-N 1 2 348.472 2.233 20 30 EEEDLO C[C@H]1CCCN1C(=O)CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341810442 161015129 /nfs/dbraw/zinc/01/51/29/161015129.db2.gz OEHBKQUWBQPREM-YJBOKZPZSA-N 1 2 327.428 2.333 20 30 EEEDLO C[C@H]1CCCN1C(=O)CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341810442 161015130 /nfs/dbraw/zinc/01/51/30/161015130.db2.gz OEHBKQUWBQPREM-YJBOKZPZSA-N 1 2 327.428 2.333 20 30 EEEDLO C[NH+](C)[C@@H](CNC(=O)c1cnccc1C#N)c1c(F)cccc1F ZINC000342617329 161078364 /nfs/dbraw/zinc/07/83/64/161078364.db2.gz KNVFNCQDGHIWDN-HNNXBMFYSA-N 1 2 330.338 2.264 20 30 EEEDLO CO[C@H](C)c1noc(C[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344126886 161200381 /nfs/dbraw/zinc/20/03/81/161200381.db2.gz YCYABYSVPKGDHW-CYBMUJFWSA-N 1 2 330.388 2.297 20 30 EEEDLO CO[C@H](C)c1noc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344126886 161200382 /nfs/dbraw/zinc/20/03/82/161200382.db2.gz YCYABYSVPKGDHW-CYBMUJFWSA-N 1 2 330.388 2.297 20 30 EEEDLO CC[C@H](C(=O)Nc1cc(C#N)ccc1NC)[N@@H+]1CCO[C@H](CC)C1 ZINC000355643464 163256934 /nfs/dbraw/zinc/25/69/34/163256934.db2.gz MFBXHHGYNFFYRH-RHSMWYFYSA-N 1 2 330.432 2.428 20 30 EEEDLO CC[C@H](C(=O)Nc1cc(C#N)ccc1NC)[N@H+]1CCO[C@H](CC)C1 ZINC000355643464 163256935 /nfs/dbraw/zinc/25/69/35/163256935.db2.gz MFBXHHGYNFFYRH-RHSMWYFYSA-N 1 2 330.432 2.428 20 30 EEEDLO Cn1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cn1 ZINC000155048375 292534505 /nfs/dbraw/zinc/53/45/05/292534505.db2.gz IYMGBAHASCAOLU-UHFFFAOYSA-N 1 2 332.411 2.162 20 30 EEEDLO N#Cc1cc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000369085114 166185968 /nfs/dbraw/zinc/18/59/68/166185968.db2.gz PYZLJTBHQRXSEF-HNNXBMFYSA-N 1 2 327.344 2.140 20 30 EEEDLO Cc1n[nH]cc1C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000375364226 167119465 /nfs/dbraw/zinc/11/94/65/167119465.db2.gz XNTUCRNLFASJAE-UHFFFAOYSA-N 1 2 329.429 2.469 20 30 EEEDLO N#Cc1ccc(C(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)[nH]1 ZINC000527255224 269958184 /nfs/dbraw/zinc/95/81/84/269958184.db2.gz NKYKRYPOFFLRGF-UHFFFAOYSA-N 1 2 349.316 2.263 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCC3CCOCC3)CC2)cc1 ZINC000329819708 270018972 /nfs/dbraw/zinc/01/89/72/270018972.db2.gz PFZHDYXNSYZMRJ-UHFFFAOYSA-N 1 2 341.455 2.409 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c1C#N ZINC000534471768 270022903 /nfs/dbraw/zinc/02/29/03/270022903.db2.gz BBCFURYCXZCNHW-IBGZPJMESA-N 1 2 336.391 2.437 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2CCc3ccccc3[C@@H]2CO)c1C#N ZINC000534471768 270022904 /nfs/dbraw/zinc/02/29/04/270022904.db2.gz BBCFURYCXZCNHW-IBGZPJMESA-N 1 2 336.391 2.437 20 30 EEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000331971859 267130087 /nfs/dbraw/zinc/13/00/87/267130087.db2.gz ULNMNNXXNBQGOK-MRXNPFEDSA-N 1 2 340.471 2.123 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295516099 267139151 /nfs/dbraw/zinc/13/91/51/267139151.db2.gz IEICBHVUDXVJQK-CJNGLKHVSA-N 1 2 344.415 2.048 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295516099 267139156 /nfs/dbraw/zinc/13/91/56/267139156.db2.gz IEICBHVUDXVJQK-CJNGLKHVSA-N 1 2 344.415 2.048 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279841665 267142663 /nfs/dbraw/zinc/14/26/63/267142663.db2.gz RPXBIWCYRLZSSN-LSDHHAIUSA-N 1 2 343.427 2.155 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279841665 267142665 /nfs/dbraw/zinc/14/26/65/267142665.db2.gz RPXBIWCYRLZSSN-LSDHHAIUSA-N 1 2 343.427 2.155 20 30 EEEDLO C[C@H]1c2ccccc2CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290534205 267253704 /nfs/dbraw/zinc/25/37/04/267253704.db2.gz ZLUVAHOHLQZPFT-AWEZNQCLSA-N 1 2 341.436 2.346 20 30 EEEDLO C[C@H]1c2ccccc2CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290534205 267253708 /nfs/dbraw/zinc/25/37/08/267253708.db2.gz ZLUVAHOHLQZPFT-AWEZNQCLSA-N 1 2 341.436 2.346 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)n1 ZINC000296229283 268293278 /nfs/dbraw/zinc/29/32/78/268293278.db2.gz DSQGBDZEPZEKMD-UHFFFAOYSA-N 1 2 331.782 2.463 20 30 EEEDLO Cc1nc(N2CCN(c3cc(C#N)ccn3)CC2)c2c([nH+]1)CCCC2 ZINC000272809670 269022552 /nfs/dbraw/zinc/02/25/52/269022552.db2.gz CGVCHEVGCHMLNE-UHFFFAOYSA-N 1 2 334.427 2.257 20 30 EEEDLO C#CC[C@H]([NH2+][C@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)OC ZINC000496707745 277698100 /nfs/dbraw/zinc/69/81/00/277698100.db2.gz IJRUMTRAZRZJKG-QLFBSQMISA-N 1 2 338.448 2.319 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCCC#N ZINC000375383953 303007134 /nfs/dbraw/zinc/00/71/34/303007134.db2.gz HRWUFYCHVXBTRT-CQSZACIVSA-N 1 2 333.436 2.318 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NCCCCn2cc[nH+]c2)cc1Cl ZINC000317552015 311591934 /nfs/dbraw/zinc/59/19/34/311591934.db2.gz UBGXOBKUEMZGLI-UHFFFAOYSA-N 1 2 338.820 2.167 20 30 EEEDLO COc1cc(C#N)ccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000546709750 318262687 /nfs/dbraw/zinc/26/26/87/318262687.db2.gz RQHWQDZCISMKTG-AWEZNQCLSA-N 1 2 337.383 2.362 20 30 EEEDLO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)c2[nH+]ccn21 ZINC000570790507 319697280 /nfs/dbraw/zinc/69/72/80/319697280.db2.gz WBJYHQOOOMWKNC-CABZTGNLSA-N 1 2 336.804 2.392 20 30 EEEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000576512750 320178255 /nfs/dbraw/zinc/17/82/55/320178255.db2.gz BFSNJIBGKHTFSZ-OAHLLOKOSA-N 1 2 342.443 2.125 20 30 EEEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)CCCn2cc[nH+]c2)n1 ZINC000611572593 449342630 /nfs/dbraw/zinc/34/26/30/449342630.db2.gz MVSGODOFLASPJP-UHFFFAOYSA-N 1 2 338.346 2.498 20 30 EEEDLO C#CCCOc1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cc1 ZINC000296129040 465090013 /nfs/dbraw/zinc/09/00/13/465090013.db2.gz RJTZMZJBYCZECL-VQIMIIECSA-N 1 2 342.439 2.024 20 30 EEEDLO COc1ccccc1C[NH+]1CCN(C(=O)NCC(C)(C)C#N)CC1 ZINC000358625340 465229372 /nfs/dbraw/zinc/22/93/72/465229372.db2.gz HYOIZRJCUGBOPS-UHFFFAOYSA-N 1 2 330.432 2.072 20 30 EEEDLO N#CC1(CCC[N@@H+]2CCN(c3ccccc3)C(=O)C2)CCOCC1 ZINC000337208854 465244299 /nfs/dbraw/zinc/24/42/99/465244299.db2.gz RLHIIECNCODWKO-UHFFFAOYSA-N 1 2 327.428 2.436 20 30 EEEDLO N#CC1(CCC[N@H+]2CCN(c3ccccc3)C(=O)C2)CCOCC1 ZINC000337208854 465244306 /nfs/dbraw/zinc/24/43/06/465244306.db2.gz RLHIIECNCODWKO-UHFFFAOYSA-N 1 2 327.428 2.436 20 30 EEEDLO CC(C)C(=O)NC1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000329141064 465245642 /nfs/dbraw/zinc/24/56/42/465245642.db2.gz JYQRYMLYPLTZMQ-UHFFFAOYSA-N 1 2 341.415 2.484 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(Br)cc1F ZINC000414136290 467382155 /nfs/dbraw/zinc/38/21/55/467382155.db2.gz IVQPDNUVTRFGDU-LLVKDONJSA-N 1 2 331.185 2.173 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(Br)cc1F ZINC000414136290 467382158 /nfs/dbraw/zinc/38/21/58/467382158.db2.gz IVQPDNUVTRFGDU-LLVKDONJSA-N 1 2 331.185 2.173 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000329225367 465273195 /nfs/dbraw/zinc/27/31/95/465273195.db2.gz DAMZTWVMOLGPAI-QLFBSQMISA-N 1 2 339.480 2.042 20 30 EEEDLO C[C@@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000297945090 465275378 /nfs/dbraw/zinc/27/53/78/465275378.db2.gz SGLZPERKULBCJZ-ZDUSSCGKSA-N 1 2 341.864 2.339 20 30 EEEDLO CCOc1ccccc1NC(=O)C[NH+]1CCC(C#N)(COC)CC1 ZINC000341982511 465280614 /nfs/dbraw/zinc/28/06/14/465280614.db2.gz ATMTVTFCOBMPTA-UHFFFAOYSA-N 1 2 331.416 2.276 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)NCc2ccccc2F)CC1 ZINC000341982997 465280909 /nfs/dbraw/zinc/28/09/09/465280909.db2.gz BGFJXTCLIPNJET-AWEZNQCLSA-N 1 2 333.407 2.083 20 30 EEEDLO O=C(NC[C@@H]1CCCn2ccnc21)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329315128 465296836 /nfs/dbraw/zinc/29/68/36/465296836.db2.gz CQNLJQLALYHEJH-GOEBONIOSA-N 1 2 332.448 2.360 20 30 EEEDLO O=C(NC[C@@H]1CCCn2ccnc21)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329315128 465296840 /nfs/dbraw/zinc/29/68/40/465296840.db2.gz CQNLJQLALYHEJH-GOEBONIOSA-N 1 2 332.448 2.360 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000329379969 465315928 /nfs/dbraw/zinc/31/59/28/465315928.db2.gz NHEMLJONNJTRIJ-FHLIZLRMSA-N 1 2 344.459 2.242 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cccc3c2OCC(=O)N3)C1 ZINC000329495310 465353699 /nfs/dbraw/zinc/35/36/99/465353699.db2.gz FPRAXRQNUOBKOO-LLVKDONJSA-N 1 2 341.371 2.436 20 30 EEEDLO CN1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1=O ZINC000127386418 462547778 /nfs/dbraw/zinc/54/77/78/462547778.db2.gz VJZVTONIDALXCY-UHFFFAOYSA-N 1 2 335.407 2.411 20 30 EEEDLO CN1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1=O ZINC000127386418 462547784 /nfs/dbraw/zinc/54/77/84/462547784.db2.gz VJZVTONIDALXCY-UHFFFAOYSA-N 1 2 335.407 2.411 20 30 EEEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(C#N)ccc1C ZINC000127487532 462557233 /nfs/dbraw/zinc/55/72/33/462557233.db2.gz XTYQDUJYIHSAQS-UHFFFAOYSA-N 1 2 331.397 2.103 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2Cc2ccccc2)CC1 ZINC000491153570 468310167 /nfs/dbraw/zinc/31/01/67/468310167.db2.gz AXMWLVSGKYGJEL-UHFFFAOYSA-N 1 2 335.455 2.034 20 30 EEEDLO Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000046872349 462713448 /nfs/dbraw/zinc/71/34/48/462713448.db2.gz FWXKTIJLPLSTQA-UHFFFAOYSA-N 1 2 349.438 2.289 20 30 EEEDLO N#Cc1ccc(OC2CN(C(=O)c3ccnc(-n4cc[nH+]c4)c3)C2)cc1 ZINC000130315554 462749866 /nfs/dbraw/zinc/74/98/66/462749866.db2.gz NXDFMEINRYVTEV-UHFFFAOYSA-N 1 2 345.362 2.042 20 30 EEEDLO N#CCCN(C/C=C/c1ccccc1[N+](=O)[O-])CC[NH+]1CCOCC1 ZINC000154751230 462805238 /nfs/dbraw/zinc/80/52/38/462805238.db2.gz UOBHBWSOHNUNOO-ZZXKWVIFSA-N 1 2 344.415 2.156 20 30 EEEDLO COC(=O)[C@]1(C)CC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091072080 462829812 /nfs/dbraw/zinc/82/98/12/462829812.db2.gz YBCOYLGTZDHSGF-LJQANCHMSA-N 1 2 338.411 2.437 20 30 EEEDLO COC(=O)[C@]1(C)CC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091072080 462829817 /nfs/dbraw/zinc/82/98/17/462829817.db2.gz YBCOYLGTZDHSGF-LJQANCHMSA-N 1 2 338.411 2.437 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091084693 462834470 /nfs/dbraw/zinc/83/44/70/462834470.db2.gz JSQMTMFUXMXISG-CYBMUJFWSA-N 1 2 336.386 2.158 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCN(CC(F)F)CC1 ZINC000091084693 462834475 /nfs/dbraw/zinc/83/44/75/462834475.db2.gz JSQMTMFUXMXISG-CYBMUJFWSA-N 1 2 336.386 2.158 20 30 EEEDLO C#CCNC(=O)C1CC[NH+](CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000491203367 468322177 /nfs/dbraw/zinc/32/21/77/468322177.db2.gz VMYITXMHXWGILT-UHFFFAOYSA-N 1 2 347.418 2.219 20 30 EEEDLO Cc1ccc([C@H](CNC(=O)C2(C#N)CCC2)[NH+]2CCOCC2)cc1 ZINC000119085626 462873553 /nfs/dbraw/zinc/87/35/53/462873553.db2.gz OIFHNLWFPOQNKD-KRWDZBQOSA-N 1 2 327.428 2.178 20 30 EEEDLO Cc1ccc(C(N)=[NH+]OCC(=O)N2CCc3ccccc3C2)cc1F ZINC000077381379 462976863 /nfs/dbraw/zinc/97/68/63/462976863.db2.gz WZXQPTITKJYCLV-UHFFFAOYSA-N 1 2 341.386 2.356 20 30 EEEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000536023583 468339538 /nfs/dbraw/zinc/33/95/38/468339538.db2.gz SFXXRAAKBPTJNO-KRWDZBQOSA-N 1 2 327.409 2.023 20 30 EEEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000536023583 468339545 /nfs/dbraw/zinc/33/95/45/468339545.db2.gz SFXXRAAKBPTJNO-KRWDZBQOSA-N 1 2 327.409 2.023 20 30 EEEDLO COC(=O)c1sccc1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026328777 463158523 /nfs/dbraw/zinc/15/85/23/463158523.db2.gz VOWWBURKAMLCHW-UHFFFAOYSA-N 1 2 343.408 2.477 20 30 EEEDLO COC(=O)c1sccc1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026328777 463158528 /nfs/dbraw/zinc/15/85/28/463158528.db2.gz VOWWBURKAMLCHW-UHFFFAOYSA-N 1 2 343.408 2.477 20 30 EEEDLO Cc1ccc(CCCC(=O)N(CCC#N)CC[NH+]2CCOCC2)s1 ZINC000079539244 463226109 /nfs/dbraw/zinc/22/61/09/463226109.db2.gz VHXBNCUJKFIGMX-UHFFFAOYSA-N 1 2 349.500 2.454 20 30 EEEDLO CCc1cccc(NC(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000029444293 463257380 /nfs/dbraw/zinc/25/73/80/463257380.db2.gz WHSNPMHUZMULAF-UHFFFAOYSA-N 1 2 349.438 2.276 20 30 EEEDLO CCN(CC)C(=O)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000029915648 463280277 /nfs/dbraw/zinc/28/02/77/463280277.db2.gz KTZVHMUWJCHMCD-UHFFFAOYSA-N 1 2 330.432 2.016 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000159854340 463308415 /nfs/dbraw/zinc/30/84/15/463308415.db2.gz VSWIADXSJLNWGL-INIZCTEOSA-N 1 2 333.432 2.237 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000159854340 463308421 /nfs/dbraw/zinc/30/84/21/463308421.db2.gz VSWIADXSJLNWGL-INIZCTEOSA-N 1 2 333.432 2.237 20 30 EEEDLO N#CCC[N@@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)CC1CC1 ZINC000081044962 463386788 /nfs/dbraw/zinc/38/67/88/463386788.db2.gz HJUUKBOTBPDGBI-GOSISDBHSA-N 1 2 340.471 2.255 20 30 EEEDLO N#CCC[N@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)CC1CC1 ZINC000081044962 463386791 /nfs/dbraw/zinc/38/67/91/463386791.db2.gz HJUUKBOTBPDGBI-GOSISDBHSA-N 1 2 340.471 2.255 20 30 EEEDLO C=CC[N@@H+](CC(=O)NCCCC(=O)OCC)Cc1ccccc1F ZINC000056312571 463391336 /nfs/dbraw/zinc/39/13/36/463391336.db2.gz HQKOHXNSCLFCMI-UHFFFAOYSA-N 1 2 336.407 2.273 20 30 EEEDLO C=CC[N@H+](CC(=O)NCCCC(=O)OCC)Cc1ccccc1F ZINC000056312571 463391343 /nfs/dbraw/zinc/39/13/43/463391343.db2.gz HQKOHXNSCLFCMI-UHFFFAOYSA-N 1 2 336.407 2.273 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000056410993 463399882 /nfs/dbraw/zinc/39/98/82/463399882.db2.gz UWXFFSJKQBMKIY-LBPRGKRZSA-N 1 2 327.344 2.402 20 30 EEEDLO N#CC1CC[NH+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000057907891 463528838 /nfs/dbraw/zinc/52/88/38/463528838.db2.gz FEDPBTGVEISVTO-UHFFFAOYSA-N 1 2 344.459 2.017 20 30 EEEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000072692328 463534957 /nfs/dbraw/zinc/53/49/57/463534957.db2.gz OPLCGOVBBWNVJP-KRWDZBQOSA-N 1 2 329.444 2.368 20 30 EEEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000072692328 463534960 /nfs/dbraw/zinc/53/49/60/463534960.db2.gz OPLCGOVBBWNVJP-KRWDZBQOSA-N 1 2 329.444 2.368 20 30 EEEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000072692331 463535091 /nfs/dbraw/zinc/53/50/91/463535091.db2.gz OPLCGOVBBWNVJP-QGZVFWFLSA-N 1 2 329.444 2.368 20 30 EEEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000072692331 463535094 /nfs/dbraw/zinc/53/50/94/463535094.db2.gz OPLCGOVBBWNVJP-QGZVFWFLSA-N 1 2 329.444 2.368 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)nc(C3CC3)nc2SC)CC1 ZINC000073228475 463595653 /nfs/dbraw/zinc/59/56/53/463595653.db2.gz NZKHRMNAJWTKAO-UHFFFAOYSA-N 1 2 344.484 2.165 20 30 EEEDLO Cc1cc([NH2+]CCCC2(C#N)CCOCC2)ccc1-n1cnnn1 ZINC000540810469 468371882 /nfs/dbraw/zinc/37/18/82/468371882.db2.gz RVQZWEMSQCKQNW-UHFFFAOYSA-N 1 2 326.404 2.483 20 30 EEEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184883402 463712724 /nfs/dbraw/zinc/71/27/24/463712724.db2.gz JEUNMAJXJWVGBO-GFCCVEGCSA-N 1 2 328.372 2.004 20 30 EEEDLO CC(C)[N@H+](CC(N)=O)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000170983584 463753590 /nfs/dbraw/zinc/75/35/90/463753590.db2.gz FKLVHCARBVBDSJ-ZDUSSCGKSA-N 1 2 348.472 2.215 20 30 EEEDLO CC(C)[N@@H+](CC(N)=O)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000170983584 463753594 /nfs/dbraw/zinc/75/35/94/463753594.db2.gz FKLVHCARBVBDSJ-ZDUSSCGKSA-N 1 2 348.472 2.215 20 30 EEEDLO C=CCSCCNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171170976 463803200 /nfs/dbraw/zinc/80/32/00/463803200.db2.gz OOMGOZRTPMAJEZ-UHFFFAOYSA-N 1 2 340.518 2.280 20 30 EEEDLO C=CCSCCNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171170976 463803208 /nfs/dbraw/zinc/80/32/08/463803208.db2.gz OOMGOZRTPMAJEZ-UHFFFAOYSA-N 1 2 340.518 2.280 20 30 EEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C2OCCO2)CC1 ZINC000171239071 463822855 /nfs/dbraw/zinc/82/28/55/463822855.db2.gz NJWHIVYBYNMVKE-UHFFFAOYSA-N 1 2 349.818 2.235 20 30 EEEDLO C=CCC[C@H](NC(=O)C(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000283259358 463822964 /nfs/dbraw/zinc/82/29/64/463822964.db2.gz MMDXTYNJCHWRPF-KRWDZBQOSA-N 1 2 340.427 2.213 20 30 EEEDLO CCOCCCNC(=O)[C@H](C)O[NH+]=C(N)Cc1ccccc1Cl ZINC000178148497 463853486 /nfs/dbraw/zinc/85/34/86/463853486.db2.gz SEIZQMQFICXHER-LBPRGKRZSA-N 1 2 341.839 2.103 20 30 EEEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(c2nccc(C#N)c2Cl)C1 ZINC000342994853 465441594 /nfs/dbraw/zinc/44/15/94/465441594.db2.gz PRGLQPDPZAWZKP-CYBMUJFWSA-N 1 2 328.807 2.107 20 30 EEEDLO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000278555161 463971696 /nfs/dbraw/zinc/97/16/96/463971696.db2.gz HVJKPUZKBMNRTP-IAGOWNOFSA-N 1 2 347.484 2.302 20 30 EEEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(c2nccc(C#N)c2Cl)C1 ZINC000342994853 465441600 /nfs/dbraw/zinc/44/16/00/465441600.db2.gz PRGLQPDPZAWZKP-CYBMUJFWSA-N 1 2 328.807 2.107 20 30 EEEDLO C#C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)C(C)(C)C ZINC000289079571 464066704 /nfs/dbraw/zinc/06/67/04/464066704.db2.gz OAZIFBVPXLOOAQ-SFHVURJKSA-N 1 2 343.471 2.366 20 30 EEEDLO C#C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1)C(C)(C)C ZINC000289115783 464067503 /nfs/dbraw/zinc/06/75/03/464067503.db2.gz QKTLVPOQHSLDCV-GOEBONIOSA-N 1 2 349.500 2.469 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(N(C)CCOC)nc2)n1 ZINC000279349646 464092176 /nfs/dbraw/zinc/09/21/76/464092176.db2.gz FWEFJDWWPRNKDI-UHFFFAOYSA-N 1 2 341.459 2.016 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(N(C)CCOC)nc2)n1 ZINC000279349646 464092177 /nfs/dbraw/zinc/09/21/77/464092177.db2.gz FWEFJDWWPRNKDI-UHFFFAOYSA-N 1 2 341.459 2.016 20 30 EEEDLO COCCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000179341182 464111203 /nfs/dbraw/zinc/11/12/03/464111203.db2.gz KEEQMWCDULIIQY-ZBFHGGJFSA-N 1 2 331.416 2.013 20 30 EEEDLO COCCO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000179341182 464111209 /nfs/dbraw/zinc/11/12/09/464111209.db2.gz KEEQMWCDULIIQY-ZBFHGGJFSA-N 1 2 331.416 2.013 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)C(F)(F)c2c(F)cccc2F)CC1 ZINC000270096037 464185584 /nfs/dbraw/zinc/18/55/84/464185584.db2.gz ARHRMBGHFCGPSC-UHFFFAOYSA-N 1 2 328.309 2.224 20 30 EEEDLO C=CCn1c(SCC[N@H+]2CCOC[C@H]2C)nc2ccccc2c1=O ZINC000188218588 464226901 /nfs/dbraw/zinc/22/69/01/464226901.db2.gz FOAXMFUNTSXTLB-CQSZACIVSA-N 1 2 345.468 2.395 20 30 EEEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@H]2C)nc2ccccc2c1=O ZINC000188218588 464226907 /nfs/dbraw/zinc/22/69/07/464226907.db2.gz FOAXMFUNTSXTLB-CQSZACIVSA-N 1 2 345.468 2.395 20 30 EEEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)C2(C#N)CCCCC2)nc[nH+]1 ZINC000173447082 464261928 /nfs/dbraw/zinc/26/19/28/464261928.db2.gz TXGAPEJCHMZSKW-CQSZACIVSA-N 1 2 342.447 2.077 20 30 EEEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)C2(C#N)CCCCC2)[nH+]cn1 ZINC000173447082 464261935 /nfs/dbraw/zinc/26/19/35/464261935.db2.gz TXGAPEJCHMZSKW-CQSZACIVSA-N 1 2 342.447 2.077 20 30 EEEDLO N#CC1(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)CC1 ZINC000329844805 465450651 /nfs/dbraw/zinc/45/06/51/465450651.db2.gz QALXIMMCNPWBAA-UHFFFAOYSA-N 1 2 331.367 2.373 20 30 EEEDLO N#CC1(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)CC1 ZINC000329844805 465450658 /nfs/dbraw/zinc/45/06/58/465450658.db2.gz QALXIMMCNPWBAA-UHFFFAOYSA-N 1 2 331.367 2.373 20 30 EEEDLO COC(=O)C1(NC(=O)C[N@H+](CCC#N)CCC(C)C)CCCCC1 ZINC000173547244 464280266 /nfs/dbraw/zinc/28/02/66/464280266.db2.gz NDDNQGJURQWTIT-UHFFFAOYSA-N 1 2 337.464 2.240 20 30 EEEDLO COC(=O)C1(NC(=O)C[N@@H+](CCC#N)CCC(C)C)CCCCC1 ZINC000173547244 464280268 /nfs/dbraw/zinc/28/02/68/464280268.db2.gz NDDNQGJURQWTIT-UHFFFAOYSA-N 1 2 337.464 2.240 20 30 EEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccccc3OC(F)(F)F)C[C@@H]21 ZINC000329841825 465450876 /nfs/dbraw/zinc/45/08/76/465450876.db2.gz NPULVDWCVZMFCU-WCQYABFASA-N 1 2 345.321 2.146 20 30 EEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccccc3OC(F)(F)F)C[C@@H]21 ZINC000329841825 465450881 /nfs/dbraw/zinc/45/08/81/465450881.db2.gz NPULVDWCVZMFCU-WCQYABFASA-N 1 2 345.321 2.146 20 30 EEEDLO C=CCOCC[N@@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000293726957 464419064 /nfs/dbraw/zinc/41/90/64/464419064.db2.gz GFGXYBBNWSLMLS-CYBMUJFWSA-N 1 2 327.222 2.110 20 30 EEEDLO C=CCOCC[N@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000293726957 464419070 /nfs/dbraw/zinc/41/90/70/464419070.db2.gz GFGXYBBNWSLMLS-CYBMUJFWSA-N 1 2 327.222 2.110 20 30 EEEDLO C=CCc1cc(C[NH+]2CC([C@@H](F)C(=O)OCC)C2)cc(OC)c1O ZINC000294029872 464429595 /nfs/dbraw/zinc/42/95/95/464429595.db2.gz VPMOKMVGPJOSQU-MRXNPFEDSA-N 1 2 337.391 2.462 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000264745419 464445855 /nfs/dbraw/zinc/44/58/55/464445855.db2.gz PWSUCBSVRUKONH-UHFFFAOYSA-N 1 2 347.459 2.161 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1=O ZINC000281418817 464447009 /nfs/dbraw/zinc/44/70/09/464447009.db2.gz ROBCCAAXENUYAW-JKSUJKDBSA-N 1 2 347.846 2.164 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1=O ZINC000281418817 464447014 /nfs/dbraw/zinc/44/70/14/464447014.db2.gz ROBCCAAXENUYAW-JKSUJKDBSA-N 1 2 347.846 2.164 20 30 EEEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)C1 ZINC000246249666 464563446 /nfs/dbraw/zinc/56/34/46/464563446.db2.gz SLUHNDZWVZVDCX-VXGBXAGGSA-N 1 2 328.199 2.005 20 30 EEEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)C1 ZINC000246249666 464563450 /nfs/dbraw/zinc/56/34/50/464563450.db2.gz SLUHNDZWVZVDCX-VXGBXAGGSA-N 1 2 328.199 2.005 20 30 EEEDLO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246275970 464566673 /nfs/dbraw/zinc/56/66/73/464566673.db2.gz ABXHIQUUGCYVQE-IAGOWNOFSA-N 1 2 343.427 2.011 20 30 EEEDLO CCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246275970 464566676 /nfs/dbraw/zinc/56/66/76/464566676.db2.gz ABXHIQUUGCYVQE-IAGOWNOFSA-N 1 2 343.427 2.011 20 30 EEEDLO CCc1ccccc1NC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000265497743 464582774 /nfs/dbraw/zinc/58/27/74/464582774.db2.gz HKZUABPLXJSVRF-UHFFFAOYSA-N 1 2 349.438 2.276 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2OC)C[C@@H](C)O3)C1=O ZINC000547406430 468411844 /nfs/dbraw/zinc/41/18/44/468411844.db2.gz AKKMDKJCQQTVJE-CZUORRHYSA-N 1 2 330.428 2.237 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc3c(cc2OC)C[C@@H](C)O3)C1=O ZINC000547406430 468411852 /nfs/dbraw/zinc/41/18/52/468411852.db2.gz AKKMDKJCQQTVJE-CZUORRHYSA-N 1 2 330.428 2.237 20 30 EEEDLO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)ccc1OC ZINC000281920056 464636398 /nfs/dbraw/zinc/63/63/98/464636398.db2.gz ADUPDMJUODGMFW-OAHLLOKOSA-N 1 2 339.457 2.269 20 30 EEEDLO C=C(C)COc1cc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)ccc1OC ZINC000281920056 464636402 /nfs/dbraw/zinc/63/64/02/464636402.db2.gz ADUPDMJUODGMFW-OAHLLOKOSA-N 1 2 339.457 2.269 20 30 EEEDLO CN1CCC[C@@H]([NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000547771198 468420285 /nfs/dbraw/zinc/42/02/85/468420285.db2.gz RKCNZGQVKYGFHN-SJORKVTESA-N 1 2 346.862 2.143 20 30 EEEDLO Cc1cc(N2CCN(C(=O)NCCCC#N)CC2)nc(C(C)C)[nH+]1 ZINC000273527610 464720656 /nfs/dbraw/zinc/72/06/56/464720656.db2.gz KDSDLGVSICSFQW-UHFFFAOYSA-N 1 2 330.436 2.044 20 30 EEEDLO N#CC1CCC(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000282207721 464735711 /nfs/dbraw/zinc/73/57/11/464735711.db2.gz MCSIUTHPDKWFOX-UHFFFAOYSA-N 1 2 341.459 2.239 20 30 EEEDLO COc1cc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)ccc1C#N ZINC000282263166 464757133 /nfs/dbraw/zinc/75/71/33/464757133.db2.gz KCJAIYJNTVFVHK-QGZVFWFLSA-N 1 2 344.436 2.442 20 30 EEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ncccc1OCCCC#N ZINC000274932418 464759750 /nfs/dbraw/zinc/75/97/50/464759750.db2.gz LFEIUCVDTIRWGI-ZDUSSCGKSA-N 1 2 328.376 2.171 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(Cl)c1 ZINC000183500650 464872442 /nfs/dbraw/zinc/87/24/42/464872442.db2.gz OZZMKRUBPUZRBV-CYBMUJFWSA-N 1 2 339.848 2.070 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c(Cl)c1 ZINC000183500650 464872447 /nfs/dbraw/zinc/87/24/47/464872447.db2.gz OZZMKRUBPUZRBV-CYBMUJFWSA-N 1 2 339.848 2.070 20 30 EEEDLO Cc1nn(C)c(=O)c(-c2nc(C[NH+]3CCC(C#N)CC3)cs2)c1C ZINC000177082933 464925375 /nfs/dbraw/zinc/92/53/75/464925375.db2.gz BCKQFDNGWGZRBF-UHFFFAOYSA-N 1 2 343.456 2.256 20 30 EEEDLO N#C[C@@H](C(=O)C[N@@H+]1CCC2(CCC2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000268202626 464970534 /nfs/dbraw/zinc/97/05/34/464970534.db2.gz IFPFMAPQZAIWNA-AWEZNQCLSA-N 1 2 336.395 2.388 20 30 EEEDLO N#C[C@@H](C(=O)C[N@H+]1CCC2(CCC2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000268202626 464970543 /nfs/dbraw/zinc/97/05/43/464970543.db2.gz IFPFMAPQZAIWNA-AWEZNQCLSA-N 1 2 336.395 2.388 20 30 EEEDLO C#CCO[C@@H](C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000295827389 464978092 /nfs/dbraw/zinc/97/80/92/464978092.db2.gz GXXZAGDJHWCHKT-AWEZNQCLSA-N 1 2 327.384 2.280 20 30 EEEDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCOCC2(CC2)C1 ZINC000329437069 465334468 /nfs/dbraw/zinc/33/44/68/465334468.db2.gz JFHQTRRDKVLJRM-UHFFFAOYSA-N 1 2 330.432 2.208 20 30 EEEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3c(C)nn(C)c3C)C2)[nH]1 ZINC000329441839 465335137 /nfs/dbraw/zinc/33/51/37/465335137.db2.gz LBXMZODNVKSBRP-OCCSQVGLSA-N 1 2 345.451 2.320 20 30 EEEDLO Cc1nnc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3c(C)nn(C)c3C)C2)[nH]1 ZINC000329441839 465335142 /nfs/dbraw/zinc/33/51/42/465335142.db2.gz LBXMZODNVKSBRP-OCCSQVGLSA-N 1 2 345.451 2.320 20 30 EEEDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3c(C)nn(C)c3C)C2)n1 ZINC000329441839 465335145 /nfs/dbraw/zinc/33/51/45/465335145.db2.gz LBXMZODNVKSBRP-OCCSQVGLSA-N 1 2 345.451 2.320 20 30 EEEDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3c(C)nn(C)c3C)C2)n1 ZINC000329441839 465335149 /nfs/dbraw/zinc/33/51/49/465335149.db2.gz LBXMZODNVKSBRP-OCCSQVGLSA-N 1 2 345.451 2.320 20 30 EEEDLO C=CCN(Cc1[nH+]cc(C)n1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000342799429 465352143 /nfs/dbraw/zinc/35/21/43/465352143.db2.gz NSVHBWPRXCWKGK-OAHLLOKOSA-N 1 2 337.431 2.453 20 30 EEEDLO C=CC[N@H+](Cc1ncc(C)n1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000342799429 465352147 /nfs/dbraw/zinc/35/21/47/465352147.db2.gz NSVHBWPRXCWKGK-OAHLLOKOSA-N 1 2 337.431 2.453 20 30 EEEDLO C=CC[N@@H+](Cc1ncc(C)n1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000342799429 465352149 /nfs/dbraw/zinc/35/21/49/465352149.db2.gz NSVHBWPRXCWKGK-OAHLLOKOSA-N 1 2 337.431 2.453 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1scnc1C1CC1 ZINC000342919704 465388386 /nfs/dbraw/zinc/38/83/86/465388386.db2.gz IZBBVMUNZWJLHS-UHFFFAOYSA-N 1 2 349.460 2.100 20 30 EEEDLO CNC(=O)CC[C@@H]1CCCCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329633472 465393442 /nfs/dbraw/zinc/39/34/42/465393442.db2.gz SKPOPDDMHOJSPK-OLZOCXBDSA-N 1 2 333.436 2.402 20 30 EEEDLO CNC(=O)CC[C@@H]1CCCCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329633472 465393446 /nfs/dbraw/zinc/39/34/46/465393446.db2.gz SKPOPDDMHOJSPK-OLZOCXBDSA-N 1 2 333.436 2.402 20 30 EEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)C1CCC(=O)CC1 ZINC000329923953 465475350 /nfs/dbraw/zinc/47/53/50/465475350.db2.gz HHMMOOGYHGHHAE-KBPBESRZSA-N 1 2 336.411 2.048 20 30 EEEDLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000298775372 465500557 /nfs/dbraw/zinc/50/05/57/465500557.db2.gz IIJSDIHITTZEAL-CYBMUJFWSA-N 1 2 343.387 2.278 20 30 EEEDLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000298775372 465500565 /nfs/dbraw/zinc/50/05/65/465500565.db2.gz IIJSDIHITTZEAL-CYBMUJFWSA-N 1 2 343.387 2.278 20 30 EEEDLO C[C@@H]1C[C@H](NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)CC[N@@H+]1C ZINC000330069373 465523588 /nfs/dbraw/zinc/52/35/88/465523588.db2.gz HDOYTXWSYJBCNE-GHMZBOCLSA-N 1 2 349.460 2.225 20 30 EEEDLO C[C@@H]1C[C@H](NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)CC[N@H+]1C ZINC000330069373 465523596 /nfs/dbraw/zinc/52/35/96/465523596.db2.gz HDOYTXWSYJBCNE-GHMZBOCLSA-N 1 2 349.460 2.225 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(OC)cc3c2O[C@@H](C)C3)C1=O ZINC000343599999 465533568 /nfs/dbraw/zinc/53/35/68/465533568.db2.gz IRGWAROJHFDAGO-GUYCJALGSA-N 1 2 330.428 2.237 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(OC)cc3c2O[C@@H](C)C3)C1=O ZINC000343599999 465533571 /nfs/dbraw/zinc/53/35/71/465533571.db2.gz IRGWAROJHFDAGO-GUYCJALGSA-N 1 2 330.428 2.237 20 30 EEEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000348317568 465548051 /nfs/dbraw/zinc/54/80/51/465548051.db2.gz KKYIWLWPMXCYRQ-SJORKVTESA-N 1 2 346.862 2.191 20 30 EEEDLO CCCNC(=O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348332750 465554183 /nfs/dbraw/zinc/55/41/83/465554183.db2.gz VYZDWSNDMIINMN-INIZCTEOSA-N 1 2 334.851 2.048 20 30 EEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCSC[C@H]1c1nccs1 ZINC000330274545 465595008 /nfs/dbraw/zinc/59/50/08/465595008.db2.gz KHDNGABVTRUNJJ-NEPJUHHUSA-N 1 2 349.485 2.359 20 30 EEEDLO CCN1CCN(C(=O)Nc2cc(OC)ccc2F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330339545 465620573 /nfs/dbraw/zinc/62/05/73/465620573.db2.gz WTSXYIURAIIKMH-OAHLLOKOSA-N 1 2 347.394 2.482 20 30 EEEDLO COc1ccc(F)c(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000554800341 468444359 /nfs/dbraw/zinc/44/43/59/468444359.db2.gz OICMXIGSRJRYAQ-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO Cc1cc(N(C)C[C@H]2C[C@@H](F)C[N@@H+]2Cc2ccnn2C)cc(C#N)n1 ZINC000361006806 465696484 /nfs/dbraw/zinc/69/64/84/465696484.db2.gz LMDNGTVIXMGNOW-RDTXWAMCSA-N 1 2 342.422 2.044 20 30 EEEDLO Cc1cc(N(C)C[C@H]2C[C@@H](F)C[N@H+]2Cc2ccnn2C)cc(C#N)n1 ZINC000361006806 465696491 /nfs/dbraw/zinc/69/64/91/465696491.db2.gz LMDNGTVIXMGNOW-RDTXWAMCSA-N 1 2 342.422 2.044 20 30 EEEDLO Cc1cc(CNc2cccc(C[N@@H+]3CCNC(=O)C3)c2)ccc1C#N ZINC000361012117 465702399 /nfs/dbraw/zinc/70/23/99/465702399.db2.gz WNLNNHJPJZRXQJ-UHFFFAOYSA-N 1 2 334.423 2.411 20 30 EEEDLO Cc1cc(CNc2cccc(C[N@H+]3CCNC(=O)C3)c2)ccc1C#N ZINC000361012117 465702402 /nfs/dbraw/zinc/70/24/02/465702402.db2.gz WNLNNHJPJZRXQJ-UHFFFAOYSA-N 1 2 334.423 2.411 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)o1 ZINC000344673456 465770374 /nfs/dbraw/zinc/77/03/74/465770374.db2.gz OQQMSQKLAPRXCI-UHFFFAOYSA-N 1 2 328.353 2.020 20 30 EEEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000357158447 465819944 /nfs/dbraw/zinc/81/99/44/465819944.db2.gz HEOGILOUMXULBA-WMZOPIPTSA-N 1 2 329.444 2.253 20 30 EEEDLO N#Cc1ccc(F)c(CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)c1 ZINC000302878674 466205402 /nfs/dbraw/zinc/20/54/02/466205402.db2.gz GNMSRJQJFAKMDS-OAHLLOKOSA-N 1 2 341.390 2.451 20 30 EEEDLO N#Cc1ccc(F)c(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)c1 ZINC000302878674 466205412 /nfs/dbraw/zinc/20/54/12/466205412.db2.gz GNMSRJQJFAKMDS-OAHLLOKOSA-N 1 2 341.390 2.451 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](O)C2)c1C#N ZINC000304106577 466260241 /nfs/dbraw/zinc/26/02/41/466260241.db2.gz KDYHYTQQPKQDRV-OAHLLOKOSA-N 1 2 330.432 2.097 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@H](O)C2)c1C#N ZINC000304106577 466260251 /nfs/dbraw/zinc/26/02/51/466260251.db2.gz KDYHYTQQPKQDRV-OAHLLOKOSA-N 1 2 330.432 2.097 20 30 EEEDLO C=C(C)Cn1c(CCC(C)C)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000338866844 466439915 /nfs/dbraw/zinc/43/99/15/466439915.db2.gz KSXYUAREOGINQF-QGZVFWFLSA-N 1 2 347.507 2.354 20 30 EEEDLO C=CCNc1ncc(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)s1 ZINC000338924009 466488714 /nfs/dbraw/zinc/48/87/14/466488714.db2.gz IKOHRKWYMCOFQN-UHFFFAOYSA-N 1 2 342.428 2.936 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Cc1c(F)cccc1C#N)CCC2 ZINC000354344695 466491369 /nfs/dbraw/zinc/49/13/69/466491369.db2.gz WHRUONMASSGFIN-AWEZNQCLSA-N 1 2 326.375 2.439 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000338954674 466519871 /nfs/dbraw/zinc/51/98/71/466519871.db2.gz KGNCYOWVHFZHDV-UHFFFAOYSA-N 1 2 326.799 2.440 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)CC2(C#N)CCCC2)CC1(C)C ZINC000333080536 466603954 /nfs/dbraw/zinc/60/39/54/466603954.db2.gz LYLMUNSGQQAXSP-CYBMUJFWSA-N 1 2 336.461 2.217 20 30 EEEDLO C=C(C)COc1cc(C[NH2+]Cc2nnc3n2CCOC3)ccc1OC ZINC000365158335 466734029 /nfs/dbraw/zinc/73/40/29/466734029.db2.gz BGDNWQUQOFEQLW-UHFFFAOYSA-N 1 2 344.415 2.062 20 30 EEEDLO CC(C)c1nc(C2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)no1 ZINC000370773159 467000986 /nfs/dbraw/zinc/00/09/86/467000986.db2.gz LMYDRNGIDLETQI-SFHVURJKSA-N 1 2 347.463 2.427 20 30 EEEDLO N#C[C@@H]1CSCCN1C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425237352 467089879 /nfs/dbraw/zinc/08/98/79/467089879.db2.gz RVPWVAGZZTYVMJ-HUUCEWRRSA-N 1 2 326.425 2.399 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451695615 467266323 /nfs/dbraw/zinc/26/63/23/467266323.db2.gz DYGZZLZWHBEZSR-UBDQQSCGSA-N 1 2 328.412 2.255 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451695615 467266327 /nfs/dbraw/zinc/26/63/27/467266327.db2.gz DYGZZLZWHBEZSR-UBDQQSCGSA-N 1 2 328.412 2.255 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429244794 467316066 /nfs/dbraw/zinc/31/60/66/467316066.db2.gz HRRINNYUHCFJRE-HOTGVXAUSA-N 1 2 346.450 2.344 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429244794 467316071 /nfs/dbraw/zinc/31/60/71/467316071.db2.gz HRRINNYUHCFJRE-HOTGVXAUSA-N 1 2 346.450 2.344 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccccc1OCC(F)(F)F ZINC000414151673 467383715 /nfs/dbraw/zinc/38/37/15/467383715.db2.gz WJDMBWKBHXCACA-LBPRGKRZSA-N 1 2 332.322 2.213 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccccc1OCC(F)(F)F ZINC000414151673 467383718 /nfs/dbraw/zinc/38/37/18/467383718.db2.gz WJDMBWKBHXCACA-LBPRGKRZSA-N 1 2 332.322 2.213 20 30 EEEDLO N#CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC000436838551 467555327 /nfs/dbraw/zinc/55/53/27/467555327.db2.gz RLISVXSFYIISIK-UHFFFAOYSA-N 1 2 335.407 2.416 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+](C)CC(=O)NCc1cccs1 ZINC000437352235 467556006 /nfs/dbraw/zinc/55/60/06/467556006.db2.gz CLEMPSAVJWESBC-UHFFFAOYSA-N 1 2 329.425 2.377 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+](C)CC(=O)NCc1cccs1 ZINC000437352235 467556008 /nfs/dbraw/zinc/55/60/08/467556008.db2.gz CLEMPSAVJWESBC-UHFFFAOYSA-N 1 2 329.425 2.377 20 30 EEEDLO CC(C)c1ncc(C[N@H+](C)CC(=O)NC2(C#N)CCCCC2)cn1 ZINC000440485846 467569840 /nfs/dbraw/zinc/56/98/40/467569840.db2.gz NKYYJGGIJHDLDE-UHFFFAOYSA-N 1 2 329.448 2.374 20 30 EEEDLO CC(C)c1ncc(C[N@@H+](C)CC(=O)NC2(C#N)CCCCC2)cn1 ZINC000440485846 467569842 /nfs/dbraw/zinc/56/98/42/467569842.db2.gz NKYYJGGIJHDLDE-UHFFFAOYSA-N 1 2 329.448 2.374 20 30 EEEDLO Cc1cc(N2CCN(C(=O)[C@@]3(C#N)C[C@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000448612658 467596255 /nfs/dbraw/zinc/59/62/55/467596255.db2.gz KMFWYEHJFNHIBE-FZKQIMNGSA-N 1 2 327.432 2.107 20 30 EEEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000455266944 467656927 /nfs/dbraw/zinc/65/69/27/467656927.db2.gz FRZBFUOULIUQMI-UHFFFAOYSA-N 1 2 343.471 2.354 20 30 EEEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000455266944 467656931 /nfs/dbraw/zinc/65/69/31/467656931.db2.gz FRZBFUOULIUQMI-UHFFFAOYSA-N 1 2 343.471 2.354 20 30 EEEDLO N#Cc1cccc(NC(=O)C2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)c1 ZINC000492894599 467786796 /nfs/dbraw/zinc/78/67/96/467786796.db2.gz HIQYRJLIAURWHI-SNAWJCMRSA-N 1 2 349.394 2.172 20 30 EEEDLO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+](Cc2ncc(C#N)cn2)C1 ZINC000497286858 467923057 /nfs/dbraw/zinc/92/30/57/467923057.db2.gz ZJOZVFNMMUISHZ-AWEZNQCLSA-N 1 2 345.447 2.475 20 30 EEEDLO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ncc(C#N)cn2)C1 ZINC000497286858 467923061 /nfs/dbraw/zinc/92/30/61/467923061.db2.gz ZJOZVFNMMUISHZ-AWEZNQCLSA-N 1 2 345.447 2.475 20 30 EEEDLO C=CCCCC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000493669844 467960823 /nfs/dbraw/zinc/96/08/23/467960823.db2.gz JCCBXKBETYWZBI-CQSZACIVSA-N 1 2 325.453 2.010 20 30 EEEDLO C=CCCCC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000493669844 467960825 /nfs/dbraw/zinc/96/08/25/467960825.db2.gz JCCBXKBETYWZBI-CQSZACIVSA-N 1 2 325.453 2.010 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000531950587 468086210 /nfs/dbraw/zinc/08/62/10/468086210.db2.gz VFRPJKTXJAVTHO-FAKMSMKASA-N 1 2 330.472 2.491 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000531950587 468086213 /nfs/dbraw/zinc/08/62/13/468086213.db2.gz VFRPJKTXJAVTHO-FAKMSMKASA-N 1 2 330.472 2.491 20 30 EEEDLO COc1ccccc1[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1ccco1 ZINC000575040732 468134833 /nfs/dbraw/zinc/13/48/33/468134833.db2.gz ISKNIRQORSORFS-KXBFYZLASA-N 1 2 343.427 2.174 20 30 EEEDLO COc1ccccc1[C@H](NC[C@H](O)C[N@H+](C)CCC#N)c1ccco1 ZINC000575040732 468134838 /nfs/dbraw/zinc/13/48/38/468134838.db2.gz ISKNIRQORSORFS-KXBFYZLASA-N 1 2 343.427 2.174 20 30 EEEDLO COc1ccccc1[C@H](NC[C@H](O)C[N@@H+](C)CCC#N)c1ccco1 ZINC000575040732 468134841 /nfs/dbraw/zinc/13/48/41/468134841.db2.gz ISKNIRQORSORFS-KXBFYZLASA-N 1 2 343.427 2.174 20 30 EEEDLO Cc1noc(C)c1-c1nc(C)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)s1 ZINC000566309820 468150145 /nfs/dbraw/zinc/15/01/45/468150145.db2.gz UBDQRMQNPFVHOE-MRXNPFEDSA-N 1 2 347.444 2.297 20 30 EEEDLO O=C(NCC#Cc1cccc(F)c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000549208963 468177001 /nfs/dbraw/zinc/17/70/01/468177001.db2.gz ZYBBGZMQYFTFBT-KRWDZBQOSA-N 1 2 326.375 2.248 20 30 EEEDLO C[N@H+](CCN1CCCC1=O)Cc1ccc(Br)cc1C#N ZINC000519778034 468209605 /nfs/dbraw/zinc/20/96/05/468209605.db2.gz PZTABSUJZXCLLW-UHFFFAOYSA-N 1 2 336.233 2.375 20 30 EEEDLO C[N@@H+](CCN1CCCC1=O)Cc1ccc(Br)cc1C#N ZINC000519778034 468209610 /nfs/dbraw/zinc/20/96/10/468209610.db2.gz PZTABSUJZXCLLW-UHFFFAOYSA-N 1 2 336.233 2.375 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(Br)c(F)cc1F ZINC000567995853 468253104 /nfs/dbraw/zinc/25/31/04/468253104.db2.gz WZZZFODVTWGMLQ-CYBMUJFWSA-N 1 2 346.175 2.301 20 30 EEEDLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150675 468640039 /nfs/dbraw/zinc/64/00/39/468640039.db2.gz GGLWUTGOQMUZEP-AUUYWEPGSA-N 1 2 341.411 2.303 20 30 EEEDLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150675 468640043 /nfs/dbraw/zinc/64/00/43/468640043.db2.gz GGLWUTGOQMUZEP-AUUYWEPGSA-N 1 2 341.411 2.303 20 30 EEEDLO C=CCCSCCNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000594660840 468647280 /nfs/dbraw/zinc/64/72/80/468647280.db2.gz RQLJLNGUIZPJGI-UHFFFAOYSA-N 1 2 327.417 2.327 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc[nH+]c2N2CCCC2)s1 ZINC000594802755 468692687 /nfs/dbraw/zinc/69/26/87/468692687.db2.gz AYILLJSAHXBYAS-UHFFFAOYSA-N 1 2 348.453 2.093 20 30 EEEDLO Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592522979 468719909 /nfs/dbraw/zinc/71/99/09/468719909.db2.gz 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327.428 2.455 20 30 EEEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000610846811 469088342 /nfs/dbraw/zinc/08/83/42/469088342.db2.gz KLWKEFLSHRWXSQ-KRWDZBQOSA-N 1 2 331.379 2.060 20 30 EEEDLO C[C@H]1CN(c2ccc(CNC(=O)CCCCCC#N)c[nH+]2)CCO1 ZINC000588151782 469122674 /nfs/dbraw/zinc/12/26/74/469122674.db2.gz VUSCIBBTDQSPIE-HNNXBMFYSA-N 1 2 330.432 2.397 20 30 EEEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000602870808 469131107 /nfs/dbraw/zinc/13/11/07/469131107.db2.gz XJXGBDQADCSNMT-JSZKLUIVSA-N 1 2 332.448 2.061 20 30 EEEDLO C[C@@H](NC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccc(Cl)cc1 ZINC000611174811 469182015 /nfs/dbraw/zinc/18/20/15/469182015.db2.gz QLLFJSVEMTUYTA-CQSZACIVSA-N 1 2 334.851 2.048 20 30 EEEDLO N#Cc1ccc(CCNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)cc1 ZINC000596319859 469243634 /nfs/dbraw/zinc/24/36/34/469243634.db2.gz GKFIVHQRQOATDO-KRWDZBQOSA-N 1 2 337.427 2.354 20 30 EEEDLO N#Cc1ccc(CCNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)cc1 ZINC000596319859 469243638 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CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000609487230 469932863 /nfs/dbraw/zinc/93/28/63/469932863.db2.gz YSFPLXMYPXVVCL-MJGOQNOKSA-N 1 2 342.487 2.372 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)NCCC2CCCCC2)CC1 ZINC000609537668 469937290 /nfs/dbraw/zinc/93/72/90/469937290.db2.gz BRCGTBYTMZZKSF-SFHVURJKSA-N 1 2 334.508 2.239 20 30 EEEDLO C=CCC1(NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)CCOCC1 ZINC000636181458 470909026 /nfs/dbraw/zinc/90/90/26/470909026.db2.gz CWQLPXLNICBAGT-UHFFFAOYSA-N 1 2 327.384 2.433 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(F)c(Br)c2)nn1 ZINC000640934705 471127456 /nfs/dbraw/zinc/12/74/56/471127456.db2.gz ADJDGAZKSYTOLJ-UHFFFAOYSA-N 1 2 337.196 2.341 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)[C@H](C)COC ZINC000661244926 471687042 /nfs/dbraw/zinc/68/70/42/471687042.db2.gz ZVWXGJKEUOOOBZ-CQSZACIVSA-N 1 2 345.443 2.040 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)[C@H](C)COC ZINC000661244926 471687047 /nfs/dbraw/zinc/68/70/47/471687047.db2.gz 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ZINC000771148557 577610616 /nfs/dbraw/zinc/61/06/16/577610616.db2.gz WHGOUWLPKIQFAO-QHCPKHFHSA-N 1 2 345.390 2.078 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000760898011 577671591 /nfs/dbraw/zinc/67/15/91/577671591.db2.gz DVUUNVSGVXMVBA-KRWDZBQOSA-N 1 2 344.411 2.247 20 30 EEEDLO C=CCN1CC(=O)N([C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)C1=O ZINC000760971631 577673248 /nfs/dbraw/zinc/67/32/48/577673248.db2.gz SIEUYLUOMZWRMQ-OAHLLOKOSA-N 1 2 328.347 2.099 20 30 EEEDLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O ZINC000751666841 577757102 /nfs/dbraw/zinc/75/71/02/577757102.db2.gz JBKNDLUTQYHVIT-KBPBESRZSA-N 1 2 347.440 2.143 20 30 EEEDLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O ZINC000751666841 577757103 /nfs/dbraw/zinc/75/71/03/577757103.db2.gz JBKNDLUTQYHVIT-KBPBESRZSA-N 1 2 347.440 2.143 20 30 EEEDLO O=[N+]([O-])c1cccnc1N=NCc1c(-n2cc[nH+]c2)nc2ccccn21 ZINC000755769937 577830753 /nfs/dbraw/zinc/83/07/53/577830753.db2.gz RAWIXYZDZKKRBE-UHFFFAOYSA-N 1 2 348.326 2.269 20 30 EEEDLO COc1ccccc1N1CC[C@H](O[NH+]=C(N)c2ccc(F)cc2)C1=O ZINC000756849541 577851370 /nfs/dbraw/zinc/85/13/70/577851370.db2.gz UFHQUUCMWALOKJ-INIZCTEOSA-N 1 2 343.358 2.277 20 30 EEEDLO C#CCOc1cc(F)ccc1NC(=O)NCCNc1cccc[nH+]1 ZINC000743198809 577881656 /nfs/dbraw/zinc/88/16/56/577881656.db2.gz IVTDDHPCISJAGJ-UHFFFAOYSA-N 1 2 328.347 2.466 20 30 EEEDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1oc(C)c(C)c1C#N ZINC000745085693 577908501 /nfs/dbraw/zinc/90/85/01/577908501.db2.gz BPPNSSZPQVSTEY-AWEZNQCLSA-N 1 2 333.388 2.124 20 30 EEEDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1oc(C)c(C)c1C#N ZINC000745085693 577908502 /nfs/dbraw/zinc/90/85/02/577908502.db2.gz BPPNSSZPQVSTEY-AWEZNQCLSA-N 1 2 333.388 2.124 20 30 EEEDLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H](CCC#N)c2ccccc2)CCO1 ZINC000749186028 577972281 /nfs/dbraw/zinc/97/22/81/577972281.db2.gz KCKCUBRFZYXBKP-NVXWUHKLSA-N 1 2 330.432 2.051 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H](CCC#N)c2ccccc2)CCO1 ZINC000749186028 577972282 /nfs/dbraw/zinc/97/22/82/577972282.db2.gz KCKCUBRFZYXBKP-NVXWUHKLSA-N 1 2 330.432 2.051 20 30 EEEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)CC1 ZINC000735402637 578152247 /nfs/dbraw/zinc/15/22/47/578152247.db2.gz FADGMPXTRHAPOG-LLVKDONJSA-N 1 2 330.392 2.056 20 30 EEEDLO C[C@H](NC(=O)c1ccccn1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969199630 674688739 /nfs/dbraw/zinc/68/87/39/674688739.db2.gz WHFLLGRMXJLYCJ-ZDUSSCGKSA-N 1 2 338.386 2.343 20 30 EEEDLO C[C@@H](NC(=O)c1ccc[nH]1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969292879 674807482 /nfs/dbraw/zinc/80/74/82/674807482.db2.gz AIHTXTNELFWBRI-GFCCVEGCSA-N 1 2 326.375 2.276 20 30 EEEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC000969461834 675057658 /nfs/dbraw/zinc/05/76/58/675057658.db2.gz BSXKVCFGYJHOTH-NSHDSACASA-N 1 2 343.818 2.185 20 30 EEEDLO Cc1nc(C[NH+]2CC([C@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)c(C)s1 ZINC000969515228 675082016 /nfs/dbraw/zinc/08/20/16/675082016.db2.gz YNJYYWQCACFWQU-JTQLQIEISA-N 1 2 343.456 2.210 20 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/nfs/dbraw/zinc/85/12/28/675851228.db2.gz GCGZHWYQYKOPRB-ZDUSSCGKSA-N 1 2 340.452 2.078 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC000971338524 676490815 /nfs/dbraw/zinc/49/08/15/676490815.db2.gz WCONQOCVMJDRNF-CYBMUJFWSA-N 1 2 326.238 2.080 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC000971338524 676490816 /nfs/dbraw/zinc/49/08/16/676490816.db2.gz WCONQOCVMJDRNF-CYBMUJFWSA-N 1 2 326.238 2.080 20 30 EEEDLO C[N@H+](Cc1ccn(C2CCCC2)n1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971513566 676607024 /nfs/dbraw/zinc/60/70/24/676607024.db2.gz OBRZBYUQHSZDPT-LJQANCHMSA-N 1 2 340.471 2.444 20 30 EEEDLO C[N@@H+](Cc1ccn(C2CCCC2)n1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971513566 676607026 /nfs/dbraw/zinc/60/70/26/676607026.db2.gz OBRZBYUQHSZDPT-LJQANCHMSA-N 1 2 340.471 2.444 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)[C@H](C)c3ncccn3)C2)cc1 ZINC000972058328 678181746 /nfs/dbraw/zinc/18/17/46/678181746.db2.gz HTRJPROQJHRTFX-CRAIPNDOSA-N 1 2 334.423 2.365 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@H](C)c3ncccn3)C2)cc1 ZINC000972058328 678181753 /nfs/dbraw/zinc/18/17/53/678181753.db2.gz HTRJPROQJHRTFX-CRAIPNDOSA-N 1 2 334.423 2.365 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([N@H+](C)Cc2noc3c2COCC3)C1 ZINC000972246994 678445854 /nfs/dbraw/zinc/44/58/54/678445854.db2.gz RMYFNLZKWVIFHA-KUHUBIRLSA-N 1 2 347.459 2.382 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([N@@H+](C)Cc2noc3c2COCC3)C1 ZINC000972246994 678445857 /nfs/dbraw/zinc/44/58/57/678445857.db2.gz RMYFNLZKWVIFHA-KUHUBIRLSA-N 1 2 347.459 2.382 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)noc3CCC)C2)C1 ZINC000972373532 678621267 /nfs/dbraw/zinc/62/12/67/678621267.db2.gz MDPZIHFSEDZXSP-GOSISDBHSA-N 1 2 333.432 2.038 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)noc3CCC)C2)C1 ZINC000972373532 678621269 /nfs/dbraw/zinc/62/12/69/678621269.db2.gz MDPZIHFSEDZXSP-GOSISDBHSA-N 1 2 333.432 2.038 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)C2)C1 ZINC000972382480 678631610 /nfs/dbraw/zinc/63/16/10/678631610.db2.gz YZHWSBJYKLURLO-GPMSIDNRSA-N 1 2 344.480 2.097 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)C2)C1 ZINC000972382480 678631614 /nfs/dbraw/zinc/63/16/14/678631614.db2.gz YZHWSBJYKLURLO-GPMSIDNRSA-N 1 2 344.480 2.097 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(C)C)nn3CC)C2)C1 ZINC000972450565 678767019 /nfs/dbraw/zinc/76/70/19/678767019.db2.gz WEAIVAAXIUYWEH-LJQANCHMSA-N 1 2 346.475 2.129 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(C)C)nn3CC)C2)C1 ZINC000972450565 678767023 /nfs/dbraw/zinc/76/70/23/678767023.db2.gz WEAIVAAXIUYWEH-LJQANCHMSA-N 1 2 346.475 2.129 20 30 EEEDLO C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)C1 ZINC000972562027 679295404 /nfs/dbraw/zinc/29/54/04/679295404.db2.gz ZNXUZKUCKUGIFM-IBGZPJMESA-N 1 2 346.475 2.416 20 30 EEEDLO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)C1 ZINC000972562027 679295405 /nfs/dbraw/zinc/29/54/05/679295405.db2.gz ZNXUZKUCKUGIFM-IBGZPJMESA-N 1 2 346.475 2.416 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C)c(F)c3F)C2)C1 ZINC000972563409 679298632 /nfs/dbraw/zinc/29/86/32/679298632.db2.gz TXLZHPXYAHLBPG-SFHVURJKSA-N 1 2 336.382 2.376 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C)c(F)c3F)C2)C1 ZINC000972563409 679298633 /nfs/dbraw/zinc/29/86/33/679298633.db2.gz TXLZHPXYAHLBPG-SFHVURJKSA-N 1 2 336.382 2.376 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3[C@@H]4CCCCCC[C@@H]34)C2)C1 ZINC000972572260 679327852 /nfs/dbraw/zinc/32/78/52/679327852.db2.gz PDUOFAQNCFXIJY-MBOZVWFJSA-N 1 2 330.472 2.139 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3[C@@H]4CCCCCC[C@@H]34)C2)C1 ZINC000972572260 679327854 /nfs/dbraw/zinc/32/78/54/679327854.db2.gz PDUOFAQNCFXIJY-MBOZVWFJSA-N 1 2 330.472 2.139 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC000972626002 679449596 /nfs/dbraw/zinc/44/95/96/679449596.db2.gz PSGNVFQVXVAYNY-MJGOQNOKSA-N 1 2 345.418 2.157 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC000972626002 679449597 /nfs/dbraw/zinc/44/95/97/679449597.db2.gz PSGNVFQVXVAYNY-MJGOQNOKSA-N 1 2 345.418 2.157 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccoc3CCC)C2)C1 ZINC000972640925 679479822 /nfs/dbraw/zinc/47/98/22/679479822.db2.gz OYEGCPJKQFVGAE-LJQANCHMSA-N 1 2 330.428 2.172 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccoc3CCC)C2)C1 ZINC000972640925 679479824 /nfs/dbraw/zinc/47/98/24/679479824.db2.gz OYEGCPJKQFVGAE-LJQANCHMSA-N 1 2 330.428 2.172 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccc(CC)cc3)C2)C1 ZINC000972670035 679564062 /nfs/dbraw/zinc/56/40/62/679564062.db2.gz WXTBMSSZRJYTRV-NRFANRHFSA-N 1 2 340.467 2.118 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccc(CC)cc3)C2)C1 ZINC000972670035 679564066 /nfs/dbraw/zinc/56/40/66/679564066.db2.gz WXTBMSSZRJYTRV-NRFANRHFSA-N 1 2 340.467 2.118 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccc(F)c(F)c3)C2)C1 ZINC000972682251 679596388 /nfs/dbraw/zinc/59/63/88/679596388.db2.gz FHEZIBDDCDCDKI-LIRRHRJNSA-N 1 2 348.393 2.005 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccc(F)c(F)c3)C2)C1 ZINC000972682251 679596390 /nfs/dbraw/zinc/59/63/90/679596390.db2.gz FHEZIBDDCDCDKI-LIRRHRJNSA-N 1 2 348.393 2.005 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(CF)cc3)C2)C1 ZINC000972692384 679612837 /nfs/dbraw/zinc/61/28/37/679612837.db2.gz NPJBGXKKRZEWSZ-IBGZPJMESA-N 1 2 330.403 2.096 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(CF)cc3)C2)C1 ZINC000972692384 679612838 /nfs/dbraw/zinc/61/28/38/679612838.db2.gz NPJBGXKKRZEWSZ-IBGZPJMESA-N 1 2 330.403 2.096 20 30 EEEDLO CNS(=O)(=O)c1cccc(C(=O)/C=C\c2c[nH+]c3ccccn23)c1 ZINC000255629459 679782098 /nfs/dbraw/zinc/78/20/98/679782098.db2.gz OYRWFGMSLUPAIS-HJWRWDBZSA-N 1 2 341.392 2.139 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1nn(C)cc1Cl ZINC001024456296 679917241 /nfs/dbraw/zinc/91/72/41/679917241.db2.gz VEMVYWVZCYNPEW-LLVKDONJSA-N 1 2 331.247 2.410 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1nn(C)cc1Cl ZINC001024456296 679917237 /nfs/dbraw/zinc/91/72/37/679917237.db2.gz VEMVYWVZCYNPEW-LLVKDONJSA-N 1 2 331.247 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3nccn3C2)C(C)(C)C1 ZINC000974741528 685384183 /nfs/dbraw/zinc/38/41/83/685384183.db2.gz IOIWCSZCWMBLKK-UONOGXRCSA-N 1 2 336.867 2.025 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3nccn3C2)C(C)(C)C1 ZINC000974741528 685384190 /nfs/dbraw/zinc/38/41/90/685384190.db2.gz IOIWCSZCWMBLKK-UONOGXRCSA-N 1 2 336.867 2.025 20 30 EEEDLO C[C@]1(C(=O)N2CCC[N@H+](CC#Cc3ccc(F)cc3)CC2)CCOC1 ZINC000982824356 681333819 /nfs/dbraw/zinc/33/38/19/681333819.db2.gz HYGPZELLLLXMPF-FQEVSTJZSA-N 1 2 344.430 2.138 20 30 EEEDLO C[C@]1(C(=O)N2CCC[N@@H+](CC#Cc3ccc(F)cc3)CC2)CCOC1 ZINC000982824356 681333823 /nfs/dbraw/zinc/33/38/23/681333823.db2.gz HYGPZELLLLXMPF-FQEVSTJZSA-N 1 2 344.430 2.138 20 30 EEEDLO Cc1nc(N2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)ccc1C#N ZINC001058594516 681449039 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C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1ccon1)CC2 ZINC000990736978 693506625 /nfs/dbraw/zinc/50/66/25/693506625.db2.gz FSNMATTXGOOCBZ-VUHPKUFZSA-N 1 2 345.443 2.269 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001027633114 693682516 /nfs/dbraw/zinc/68/25/16/693682516.db2.gz SYNRXEDQFUUOEV-UKRRQHHQSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001027633114 693682517 /nfs/dbraw/zinc/68/25/17/693682517.db2.gz SYNRXEDQFUUOEV-UKRRQHHQSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2nocc2C)C1 ZINC001027639691 693715543 /nfs/dbraw/zinc/71/55/43/693715543.db2.gz DGHYNOXBVWVMRE-GFCCVEGCSA-N 1 2 342.237 2.428 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)c2nocc2C)C1 ZINC001027639691 693715545 /nfs/dbraw/zinc/71/55/45/693715545.db2.gz DGHYNOXBVWVMRE-GFCCVEGCSA-N 1 2 342.237 2.428 20 30 EEEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)c(F)c1F)CC2 ZINC001272724482 1192275828 /nfs/dbraw/zinc/27/58/28/1192275828.db2.gz JDOQAXQNDVNZAL-CYBMUJFWSA-N 1 2 334.366 2.022 20 30 EEEDLO CC[C@H]1C[C@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CCO1 ZINC001032110948 1192585330 /nfs/dbraw/zinc/58/53/30/1192585330.db2.gz VBYWPBYLMTVLQB-APWZRJJASA-N 1 2 341.455 2.311 20 30 EEEDLO CCOc1ncccc1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001032163555 1192802145 /nfs/dbraw/zinc/80/21/45/1192802145.db2.gz WRFOHHJVSCUTQX-UHFFFAOYSA-N 1 2 349.434 2.194 20 30 EEEDLO C[N@H+](CCNC(=O)c1cc2ccccc2nn1)Cc1ccccc1C#N ZINC001267209331 1178502365 /nfs/dbraw/zinc/50/23/65/1178502365.db2.gz UJQRHTCTBQBFJV-UHFFFAOYSA-N 1 2 345.406 2.363 20 30 EEEDLO C[N@@H+](CCNC(=O)c1cc2ccccc2nn1)Cc1ccccc1C#N ZINC001267209331 1178502378 /nfs/dbraw/zinc/50/23/78/1178502378.db2.gz UJQRHTCTBQBFJV-UHFFFAOYSA-N 1 2 345.406 2.363 20 30 EEEDLO Cc1cccc2nc(C(=O)NCC[N@@H+](C)Cc3ccccc3C#N)cn21 ZINC001267229116 1178548004 /nfs/dbraw/zinc/54/80/04/1178548004.db2.gz ISZHKIDCHAYGLM-UHFFFAOYSA-N 1 2 347.422 2.376 20 30 EEEDLO Cc1cccc2nc(C(=O)NCC[N@H+](C)Cc3ccccc3C#N)cn21 ZINC001267229116 1178548005 /nfs/dbraw/zinc/54/80/05/1178548005.db2.gz ISZHKIDCHAYGLM-UHFFFAOYSA-N 1 2 347.422 2.376 20 30 EEEDLO CS[C@@H](C)CC(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001481621502 1181907299 /nfs/dbraw/zinc/90/72/99/1181907299.db2.gz QPEOGZJMXSBGSX-LBPRGKRZSA-N 1 2 335.448 2.387 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC001481692391 1182220106 /nfs/dbraw/zinc/22/01/06/1182220106.db2.gz UYJIAYAKLUVUHI-RDJZCZTQSA-N 1 2 341.455 2.195 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC001481692391 1182220114 /nfs/dbraw/zinc/22/01/14/1182220114.db2.gz UYJIAYAKLUVUHI-RDJZCZTQSA-N 1 2 341.455 2.195 20 30 EEEDLO C[C@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2nc(C3CCCC3)no2)C(C)(C)C1 ZINC000995584196 1193163947 /nfs/dbraw/zinc/16/39/47/1193163947.db2.gz STFNHIJAFMTBKG-OCCSQVGLSA-N 1 2 345.447 2.213 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(NC(C)=O)c(F)c2)C1 ZINC001032227815 1193309359 /nfs/dbraw/zinc/30/93/59/1193309359.db2.gz IYNOLOGXEZQHFX-UHFFFAOYSA-N 1 2 339.798 2.198 20 30 EEEDLO C[C@H]1CCCC[C@H]1C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001270565356 1185175272 /nfs/dbraw/zinc/17/52/72/1185175272.db2.gz QIYTYTMUKCTORV-MAUKXSAKSA-N 1 2 340.471 2.367 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)C4(F)CCCCC4)C3)C2)cc1C#N ZINC001270686956 1185313931 /nfs/dbraw/zinc/31/39/31/1185313931.db2.gz VQMHEJGPKGBJLX-UHFFFAOYSA-N 1 2 344.434 2.213 20 30 EEEDLO Cc1ncoc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088507953 1187089412 /nfs/dbraw/zinc/08/94/12/1187089412.db2.gz LNCOEFOOBCPKOE-PBHICJAKSA-N 1 2 341.386 2.366 20 30 EEEDLO Cc1ncoc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088507953 1187089416 /nfs/dbraw/zinc/08/94/16/1187089416.db2.gz LNCOEFOOBCPKOE-PBHICJAKSA-N 1 2 341.386 2.366 20 30 EEEDLO C=CCCC(=O)NCC[C@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001075884624 1187176787 /nfs/dbraw/zinc/17/67/87/1187176787.db2.gz IGPQHNTUUDPRAJ-JKSUJKDBSA-N 1 2 334.464 2.448 20 30 EEEDLO Cc1ccc(F)cc1C[N@@H+]1CCO[C@@](C)(CNC(=O)C#CC2CC2)C1 ZINC001107932172 1193478505 /nfs/dbraw/zinc/47/85/05/1193478505.db2.gz HGEVEVRNCUMWDL-FQEVSTJZSA-N 1 2 344.430 2.255 20 30 EEEDLO Cc1ccc(F)cc1C[N@H+]1CCO[C@@](C)(CNC(=O)C#CC2CC2)C1 ZINC001107932172 1193478507 /nfs/dbraw/zinc/47/85/07/1193478507.db2.gz HGEVEVRNCUMWDL-FQEVSTJZSA-N 1 2 344.430 2.255 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnn2CC(F)F)[C@H]1C ZINC001088567227 1187406059 /nfs/dbraw/zinc/40/60/59/1187406059.db2.gz BGIFSIHCADUAMK-MNOVXSKESA-N 1 2 332.782 2.093 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnn2CC(F)F)[C@H]1C ZINC001088567227 1187406061 /nfs/dbraw/zinc/40/60/61/1187406061.db2.gz BGIFSIHCADUAMK-MNOVXSKESA-N 1 2 332.782 2.093 20 30 EEEDLO CC/C=C(\C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001211964268 1187484614 /nfs/dbraw/zinc/48/46/14/1187484614.db2.gz IDUCKURAGUHQCP-JAOWYYBVSA-N 1 2 333.457 2.291 20 30 EEEDLO CC/C=C(\C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001211964268 1187484619 /nfs/dbraw/zinc/48/46/19/1187484619.db2.gz IDUCKURAGUHQCP-JAOWYYBVSA-N 1 2 333.457 2.291 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(-c3ccccc3)nn2)[C@H]1C ZINC001088698312 1188297938 /nfs/dbraw/zinc/29/79/38/1188297938.db2.gz OUNTYBWSGFRRPL-HIFRSBDPSA-N 1 2 345.834 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(-c3ccccc3)nn2)[C@H]1C ZINC001088698312 1188297940 /nfs/dbraw/zinc/29/79/40/1188297940.db2.gz OUNTYBWSGFRRPL-HIFRSBDPSA-N 1 2 345.834 2.212 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2n[nH]c3c2CCC3)CC[N@@H+]1Cc1ccccc1C#N ZINC001088697815 1188298077 /nfs/dbraw/zinc/29/80/77/1188298077.db2.gz LPHTZBORBLNZTN-DYVFJYSZSA-N 1 2 349.438 2.163 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2n[nH]c3c2CCC3)CC[N@H+]1Cc1ccccc1C#N ZINC001088697815 1188298079 /nfs/dbraw/zinc/29/80/79/1188298079.db2.gz LPHTZBORBLNZTN-DYVFJYSZSA-N 1 2 349.438 2.163 20 30 EEEDLO C=CCOCC(=O)N(C)C1CC(Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001126897035 1188578972 /nfs/dbraw/zinc/57/89/72/1188578972.db2.gz WEYHHUJQYVBYGI-UHFFFAOYSA-N 1 2 330.432 2.266 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN(CC(F)F)C2)[C@H]1C ZINC001088823360 1188592653 /nfs/dbraw/zinc/59/26/53/1188592653.db2.gz IOFBTHMZWUZMLH-MCIONIFRSA-N 1 2 349.853 2.295 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN(CC(F)F)C2)[C@H]1C ZINC001088823360 1188592656 /nfs/dbraw/zinc/59/26/56/1188592656.db2.gz IOFBTHMZWUZMLH-MCIONIFRSA-N 1 2 349.853 2.295 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cnns4)C[C@H]32)CC1 ZINC001076208679 1188782550 /nfs/dbraw/zinc/78/25/50/1188782550.db2.gz FUJMIHPADRXLJA-GOEBONIOSA-N 1 2 332.473 2.317 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cnns4)C[C@H]32)CC1 ZINC001076208679 1188782554 /nfs/dbraw/zinc/78/25/54/1188782554.db2.gz FUJMIHPADRXLJA-GOEBONIOSA-N 1 2 332.473 2.317 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Oc3cccnc3)[C@@H]2C1 ZINC001076224112 1188792311 /nfs/dbraw/zinc/79/23/11/1188792311.db2.gz DVKQDEOWJJPXIA-OFQRWUPVSA-N 1 2 335.835 2.134 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Oc3cccnc3)[C@@H]2C1 ZINC001076224112 1188792313 /nfs/dbraw/zinc/79/23/13/1188792313.db2.gz DVKQDEOWJJPXIA-OFQRWUPVSA-N 1 2 335.835 2.134 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Br)o1 ZINC001272900042 1193597093 /nfs/dbraw/zinc/59/70/93/1193597093.db2.gz SNPFLUUZEGZHCH-CHWSQXEVSA-N 1 2 337.217 2.241 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Br)o1 ZINC001272900042 1193597095 /nfs/dbraw/zinc/59/70/95/1193597095.db2.gz SNPFLUUZEGZHCH-CHWSQXEVSA-N 1 2 337.217 2.241 20 30 EEEDLO C#CCN1C(=O)C2(CC[NH+](Cc3ncc[nH]3)CC2)[C@@H]1c1ccccc1 ZINC001272918585 1193604217 /nfs/dbraw/zinc/60/42/17/1193604217.db2.gz MPFVGGIQCYACAD-SFHVURJKSA-N 1 2 334.423 2.209 20 30 EEEDLO CN(C(=O)CCCn1cc[nH+]c1)C1CC(Nc2ccc(C#N)nc2)C1 ZINC001126967658 1189429623 /nfs/dbraw/zinc/42/96/23/1189429623.db2.gz KMAKWPFHCNUKIA-UHFFFAOYSA-N 1 2 338.415 2.031 20 30 EEEDLO C=CC1(CC(=O)NCC[C@H](C)NC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001077332648 1189477775 /nfs/dbraw/zinc/47/77/75/1189477775.db2.gz XYCZAQHIMQAESE-INIZCTEOSA-N 1 2 346.475 2.421 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](O)(CNC(=O)C2CCCCC2)C1 ZINC001484201377 1191273324 /nfs/dbraw/zinc/27/33/24/1191273324.db2.gz FHBCNKJOIMYFFU-OAHLLOKOSA-N 1 2 345.281 2.028 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](O)(CNC(=O)C2CCCCC2)C1 ZINC001484201377 1191273325 /nfs/dbraw/zinc/27/33/25/1191273325.db2.gz FHBCNKJOIMYFFU-OAHLLOKOSA-N 1 2 345.281 2.028 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cnc(-c3ccccc3)[nH]2)C1=O ZINC001272964451 1194272564 /nfs/dbraw/zinc/27/25/64/1194272564.db2.gz HZWZWVKDFWCEQU-FQEVSTJZSA-N 1 2 334.423 2.277 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cnc(-c3ccccc3)[nH]2)C1=O ZINC001272964451 1194272570 /nfs/dbraw/zinc/27/25/70/1194272570.db2.gz HZWZWVKDFWCEQU-FQEVSTJZSA-N 1 2 334.423 2.277 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2c[nH]c(-c3ccccc3)n2)C1=O ZINC001272964451 1194272572 /nfs/dbraw/zinc/27/25/72/1194272572.db2.gz HZWZWVKDFWCEQU-FQEVSTJZSA-N 1 2 334.423 2.277 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2c[nH]c(-c3ccccc3)n2)C1=O ZINC001272964451 1194272575 /nfs/dbraw/zinc/27/25/75/1194272575.db2.gz HZWZWVKDFWCEQU-FQEVSTJZSA-N 1 2 334.423 2.277 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cc3c(c(Cl)c2)OCO3)C1=O ZINC001272966437 1194275547 /nfs/dbraw/zinc/27/55/47/1194275547.db2.gz RYEOBTMSTGNDSM-SFHVURJKSA-N 1 2 346.814 2.269 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc3c(c(Cl)c2)OCO3)C1=O ZINC001272966437 1194275550 /nfs/dbraw/zinc/27/55/50/1194275550.db2.gz RYEOBTMSTGNDSM-SFHVURJKSA-N 1 2 346.814 2.269 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC001033689251 1195084790 /nfs/dbraw/zinc/08/47/90/1195084790.db2.gz AGEVEGGMVRCQBP-CQSZACIVSA-N 1 2 345.834 2.371 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC001033689251 1195084792 /nfs/dbraw/zinc/08/47/92/1195084792.db2.gz AGEVEGGMVRCQBP-CQSZACIVSA-N 1 2 345.834 2.371 20 30 EEEDLO CCN(C(=O)c1cnns1)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033760750 1195195967 /nfs/dbraw/zinc/19/59/67/1195195967.db2.gz VGJHPNRDLAPLTC-NSHDSACASA-N 1 2 347.469 2.208 20 30 EEEDLO CCN(C(=O)c1cnns1)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033760750 1195195970 /nfs/dbraw/zinc/19/59/70/1195195970.db2.gz VGJHPNRDLAPLTC-NSHDSACASA-N 1 2 347.469 2.208 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3ncn(C)c3n2)C1 ZINC001033952335 1195553080 /nfs/dbraw/zinc/55/30/80/1195553080.db2.gz RUNDTBZHCMLWPW-ZDUSSCGKSA-N 1 2 347.850 2.257 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3ncn(C)c3n2)C1 ZINC001033952335 1195553086 /nfs/dbraw/zinc/55/30/86/1195553086.db2.gz RUNDTBZHCMLWPW-ZDUSSCGKSA-N 1 2 347.850 2.257 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cn3nccc3nc2C)C1 ZINC001034001569 1195625358 /nfs/dbraw/zinc/62/53/58/1195625358.db2.gz MUUXGZXZTUJEDL-AWEZNQCLSA-N 1 2 347.850 2.327 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cn3nccc3nc2C)C1 ZINC001034001569 1195625361 /nfs/dbraw/zinc/62/53/61/1195625361.db2.gz MUUXGZXZTUJEDL-AWEZNQCLSA-N 1 2 347.850 2.327 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC001034133959 1195833655 /nfs/dbraw/zinc/83/36/55/1195833655.db2.gz WVPKCYHYOHRTLS-LBPRGKRZSA-N 1 2 341.253 2.211 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC001034133959 1195833658 /nfs/dbraw/zinc/83/36/58/1195833658.db2.gz WVPKCYHYOHRTLS-LBPRGKRZSA-N 1 2 341.253 2.211 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnn3ccncc23)C1 ZINC001034249990 1195983632 /nfs/dbraw/zinc/98/36/32/1195983632.db2.gz IODHDWFACGRBJY-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnn3ccncc23)C1 ZINC001034249990 1195983637 /nfs/dbraw/zinc/98/36/37/1195983637.db2.gz IODHDWFACGRBJY-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)CN1CCCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034280229 1196041861 /nfs/dbraw/zinc/04/18/61/1196041861.db2.gz CMCCZWSWEVTAQP-CYBMUJFWSA-N 1 2 340.855 2.073 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C2CCC2)C2CCC2)C1 ZINC001108162778 1196755586 /nfs/dbraw/zinc/75/55/86/1196755586.db2.gz YDOXXGXTVYQMAA-HXUWFJFHSA-N 1 2 332.488 2.433 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C(C2CCC2)C2CCC2)C1 ZINC001108162778 1196755588 /nfs/dbraw/zinc/75/55/88/1196755588.db2.gz YDOXXGXTVYQMAA-HXUWFJFHSA-N 1 2 332.488 2.433 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](C[C@H](F)CC)C[C@@H]1n1ccnn1 ZINC001129014397 1196764099 /nfs/dbraw/zinc/76/40/99/1196764099.db2.gz ISFDZKAVJIRXQF-ZACQAIPSSA-N 1 2 349.454 2.136 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](C[C@H](F)CC)C[C@@H]1n1ccnn1 ZINC001129014397 1196764102 /nfs/dbraw/zinc/76/41/02/1196764102.db2.gz ISFDZKAVJIRXQF-ZACQAIPSSA-N 1 2 349.454 2.136 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1C(F)(F)F ZINC001018127215 1224366983 /nfs/dbraw/zinc/36/69/83/1224366983.db2.gz KDXIVHKGYVXEFG-BETUJISGSA-N 1 2 337.345 2.413 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1C(F)(F)F ZINC001018127215 1224366988 /nfs/dbraw/zinc/36/69/88/1224366988.db2.gz KDXIVHKGYVXEFG-BETUJISGSA-N 1 2 337.345 2.413 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnsn1 ZINC001034947475 1196907613 /nfs/dbraw/zinc/90/76/13/1196907613.db2.gz SQFFPXZXTLTIRM-GFCCVEGCSA-N 1 2 328.869 2.397 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)C[C@@H](C)OC)C2)C1 ZINC001410189020 1197594044 /nfs/dbraw/zinc/59/40/44/1197594044.db2.gz XFCPXNXWJBCAJH-CYBMUJFWSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)C[C@@H](C)OC)C2)C1 ZINC001410189020 1197594046 /nfs/dbraw/zinc/59/40/46/1197594046.db2.gz XFCPXNXWJBCAJH-CYBMUJFWSA-N 1 2 345.281 2.244 20 30 EEEDLO C=CCN1CC2(C[NH+](Cc3ccc(O)c4ccccc34)C2)OCC1=O ZINC001273299586 1197989433 /nfs/dbraw/zinc/98/94/33/1197989433.db2.gz IOYAHKPCUCZDRV-UHFFFAOYSA-N 1 2 338.407 2.145 20 30 EEEDLO CC(C)(CO)[NH+]1CCN(c2c(Br)cccc2C#N)CC1 ZINC000865540357 1198267001 /nfs/dbraw/zinc/26/70/01/1198267001.db2.gz LTSKIOFYBPDVDT-UHFFFAOYSA-N 1 2 338.249 2.214 20 30 EEEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3ccc(C)nc3Cl)C2)OCC1=O 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/nfs/dbraw/zinc/73/05/75/1209730575.db2.gz HHDJVPGGGOYOBA-SFHVURJKSA-N 1 2 340.467 2.192 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)Cc3ccccc3)CC2)C1 ZINC000949531387 1209730577 /nfs/dbraw/zinc/73/05/77/1209730577.db2.gz HHDJVPGGGOYOBA-SFHVURJKSA-N 1 2 340.467 2.192 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](C[C@H](O)c2cccc(OC)c2)CC1 ZINC000949631614 1209767089 /nfs/dbraw/zinc/76/70/89/1209767089.db2.gz JOTYFFRHIHFOIZ-SFHVURJKSA-N 1 2 346.471 2.475 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[NH+](Cc3cccc(N(C)C)c3)CC2)c1 ZINC000950406965 1210193753 /nfs/dbraw/zinc/19/37/53/1210193753.db2.gz SVMJWSIZKIEVCD-UHFFFAOYSA-N 1 2 348.450 2.087 20 30 EEEDLO CC[C@@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000950605440 1210299580 /nfs/dbraw/zinc/29/95/80/1210299580.db2.gz UAPYELFFOCLUDR-SJLPKXTDSA-N 1 2 327.428 2.279 20 30 EEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC000950848959 1210463426 /nfs/dbraw/zinc/46/34/26/1210463426.db2.gz RGPNPGZIJYNRPX-PXNSSMCTSA-N 1 2 326.440 2.446 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1225537645 /nfs/dbraw/zinc/53/76/45/1225537645.db2.gz MEIWWYGGTYKVGN-MRXNPFEDSA-N 1 2 341.386 2.232 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3nnc(CC)[nH]3)C[C@H]21 ZINC001114680083 1214894269 /nfs/dbraw/zinc/89/42/69/1214894269.db2.gz DOMWWFWZNRGWHS-CXTNEJHOSA-N 1 2 331.464 2.077 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3nnc(CC)[nH]3)C[C@H]21 ZINC001114680083 1214894271 /nfs/dbraw/zinc/89/42/71/1214894271.db2.gz DOMWWFWZNRGWHS-CXTNEJHOSA-N 1 2 331.464 2.077 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@@H](CNc2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC001114694716 1214994988 /nfs/dbraw/zinc/99/49/88/1214994988.db2.gz UMAXHWRFBANBOZ-ZIAGYGMSSA-N 1 2 342.447 2.369 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@H]21 ZINC001114723071 1215115384 /nfs/dbraw/zinc/11/53/84/1215115384.db2.gz SAEITWRGTYPWBA-SIXLDLHFSA-N 1 2 331.464 2.008 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@H]21 ZINC001114723071 1215115388 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Cc1ncc(C(=O)N2CC[C@H]3CC[N@@H+](CC#Cc4ccccc4)[C@@H]3C2)[nH]1 ZINC001041977800 1231804183 /nfs/dbraw/zinc/80/41/83/1231804183.db2.gz HQNZVKQSCQBFBR-UYAOXDASSA-N 1 2 348.450 2.306 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cnn(CC)n4)[C@@H]3C2)C1 ZINC001042225108 1231967568 /nfs/dbraw/zinc/96/75/68/1231967568.db2.gz VWMNPZLOHBYLHM-NVXWUHKLSA-N 1 2 343.475 2.077 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4cnn(CC)n4)[C@@H]3C2)C1 ZINC001042225108 1231967570 /nfs/dbraw/zinc/96/75/70/1231967570.db2.gz VWMNPZLOHBYLHM-NVXWUHKLSA-N 1 2 343.475 2.077 20 30 EEEDLO COc1cccc([C@H](C)[NH+]2CC(N(C)C(=O)c3cc(C#N)c[nH]3)C2)c1 ZINC001042590062 1232113817 /nfs/dbraw/zinc/11/38/17/1232113817.db2.gz SJPBBDCRFSPZCW-ZDUSSCGKSA-N 1 2 338.411 2.412 20 30 EEEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC001042590225 1232114284 /nfs/dbraw/zinc/11/42/84/1232114284.db2.gz YLWYERPOJAIAOZ-GOSISDBHSA-N 1 2 338.386 2.469 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](Cc2ccc(C)c(OC)c2)C1 ZINC001043924262 1232625952 /nfs/dbraw/zinc/62/59/52/1232625952.db2.gz VNTVWIPUAVHHBQ-MSOLQXFVSA-N 1 2 344.455 2.237 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](Cc3cccc(OC)c3C)C2)nc1 ZINC001044203612 1232786075 /nfs/dbraw/zinc/78/60/75/1232786075.db2.gz QVVJZUGNVYYCJK-UHFFFAOYSA-N 1 2 349.434 2.336 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2Nc2cc[nH+]c(C)n2)cn1 ZINC001045537683 1233799586 /nfs/dbraw/zinc/79/95/86/1233799586.db2.gz PCVQCNNHKWSGPI-IAGOWNOFSA-N 1 2 335.411 2.314 20 30 EEEDLO C#Cc1ccc(C(=O)NC2(C)CC[NH+](Cc3coc(C)n3)CC2)nc1 ZINC001045625464 1233867755 /nfs/dbraw/zinc/86/77/55/1233867755.db2.gz RCLDMBQQHMGTQL-UHFFFAOYSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCCC[C@H]2Nc2cc[nH+]c(C)n2)c1 ZINC001045740442 1233940115 /nfs/dbraw/zinc/94/01/15/1233940115.db2.gz KMLPXYZBQUEVJE-IAGOWNOFSA-N 1 2 335.411 2.314 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)c2nncn2C)C1 ZINC001045843505 1234059767 /nfs/dbraw/zinc/05/97/67/1234059767.db2.gz GKJGIIJSQSITNX-XHSDSOJGSA-N 1 2 343.475 2.298 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)c2nncn2C)C1 ZINC001045843505 1234059770 /nfs/dbraw/zinc/05/97/70/1234059770.db2.gz GKJGIIJSQSITNX-XHSDSOJGSA-N 1 2 343.475 2.298 20 30 EEEDLO C[C@]1(NC(=O)[C@@H]2CCCO2)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046122385 1234465909 /nfs/dbraw/zinc/46/59/09/1234465909.db2.gz MZMMDBOXPWYVQY-HKUYNNGSSA-N 1 2 346.858 2.451 20 30 EEEDLO C[C@]1(NC(=O)[C@@H]2CCCO2)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046122385 1234465912 /nfs/dbraw/zinc/46/59/12/1234465912.db2.gz MZMMDBOXPWYVQY-HKUYNNGSSA-N 1 2 346.858 2.451 20 30 EEEDLO C=CCN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)C(C)C ZINC000900566335 1234492865 /nfs/dbraw/zinc/49/28/65/1234492865.db2.gz RQQOYVJPPYLVLE-KRWDZBQOSA-N 1 2 346.475 2.440 20 30 EEEDLO C=CCN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)C(C)C ZINC000900566335 1234492867 /nfs/dbraw/zinc/49/28/67/1234492867.db2.gz RQQOYVJPPYLVLE-KRWDZBQOSA-N 1 2 346.475 2.440 20 30 EEEDLO C[C@@]1(NC(=O)c2cnco2)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046519017 1234898226 /nfs/dbraw/zinc/89/82/26/1234898226.db2.gz AGJBPOPGSKENGH-GOSISDBHSA-N 1 2 327.359 2.060 20 30 EEEDLO C[C@@]1(NC(=O)c2cnco2)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046519017 1234898229 /nfs/dbraw/zinc/89/82/29/1234898229.db2.gz AGJBPOPGSKENGH-GOSISDBHSA-N 1 2 327.359 2.060 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001046522591 1234901687 /nfs/dbraw/zinc/90/16/87/1234901687.db2.gz UIBZTHGUMFGKHY-KRWDZBQOSA-N 1 2 347.850 2.223 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001046522591 1234901694 /nfs/dbraw/zinc/90/16/94/1234901694.db2.gz UIBZTHGUMFGKHY-KRWDZBQOSA-N 1 2 347.850 2.223 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@@H+](Cc3nc(C)c(C)o3)C2)c1 ZINC001046608564 1234991997 /nfs/dbraw/zinc/99/19/97/1234991997.db2.gz XPLHFOMCTZKMQD-LJQANCHMSA-N 1 2 338.411 2.062 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@H+](Cc3nc(C)c(C)o3)C2)c1 ZINC001046608564 1234992000 /nfs/dbraw/zinc/99/20/00/1234992000.db2.gz XPLHFOMCTZKMQD-LJQANCHMSA-N 1 2 338.411 2.062 20 30 EEEDLO Cc1conc1C(=O)N[C@]1(C)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046760078 1235157396 /nfs/dbraw/zinc/15/73/96/1235157396.db2.gz MPNIDDNJAXHJPI-LJQANCHMSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1conc1C(=O)N[C@]1(C)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046760078 1235157399 /nfs/dbraw/zinc/15/73/99/1235157399.db2.gz MPNIDDNJAXHJPI-LJQANCHMSA-N 1 2 341.386 2.368 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnn(C)c2C)C1 ZINC001046916353 1235303380 /nfs/dbraw/zinc/30/33/80/1235303380.db2.gz HIGXMVLZXMDKOK-LBPRGKRZSA-N 1 2 346.809 2.168 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnn(C)c2C)C1 ZINC001046916353 1235303386 /nfs/dbraw/zinc/30/33/86/1235303386.db2.gz HIGXMVLZXMDKOK-LBPRGKRZSA-N 1 2 346.809 2.168 20 30 EEEDLO CC(C(=O)N(C)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O)=C1CCC1 ZINC001047379175 1235936165 /nfs/dbraw/zinc/93/61/65/1235936165.db2.gz WUPPROUSLRAZMA-OALUTQOASA-N 1 2 339.439 2.062 20 30 EEEDLO CC(C(=O)N(C)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O)=C1CCC1 ZINC001047379175 1235936168 /nfs/dbraw/zinc/93/61/68/1235936168.db2.gz WUPPROUSLRAZMA-OALUTQOASA-N 1 2 339.439 2.062 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096184887 1236020063 /nfs/dbraw/zinc/02/00/63/1236020063.db2.gz CDOFXIGQSRRENS-INIZCTEOSA-N 1 2 344.459 2.340 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CCCN(c3cc[nH+]c(C)n3)C2)CCOCC1 ZINC001096194458 1236104014 /nfs/dbraw/zinc/10/40/14/1236104014.db2.gz GXRYTOCBQHCLPR-INIZCTEOSA-N 1 2 344.459 2.243 20 30 EEEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CC)c(CCC)s2)C1 ZINC001047624569 1236304246 /nfs/dbraw/zinc/30/42/46/1236304246.db2.gz RWYXQFJDIZXPTL-GJZGRUSLSA-N 1 2 334.485 2.013 20 30 EEEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CC)c(CCC)s2)C1 ZINC001047624569 1236304254 /nfs/dbraw/zinc/30/42/54/1236304254.db2.gz RWYXQFJDIZXPTL-GJZGRUSLSA-N 1 2 334.485 2.013 20 30 EEEDLO C[C@H](C#N)OCC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000801950277 1236517981 /nfs/dbraw/zinc/51/79/81/1236517981.db2.gz UBACYDGAFUEMLR-UKRRQHHQSA-N 1 2 334.420 2.419 20 30 EEEDLO C[C@H](C#N)OCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000801950277 1236517985 /nfs/dbraw/zinc/51/79/85/1236517985.db2.gz UBACYDGAFUEMLR-UKRRQHHQSA-N 1 2 334.420 2.419 20 30 EEEDLO CCC[C@@H](C)CC(=O)NCC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC001096278735 1237023509 /nfs/dbraw/zinc/02/35/09/1237023509.db2.gz KKUFBQVGGHLEOB-MRXNPFEDSA-N 1 2 343.475 2.018 20 30 EEEDLO Cc1nc(N2CC[C@@H]([C@H]3CCCN(C(=O)C#CC4CC4)C3)C2)cc[nH+]1 ZINC001067816441 1249688575 /nfs/dbraw/zinc/68/85/75/1249688575.db2.gz AWCIDEPNYANXTR-ZWKOTPCHSA-N 1 2 338.455 2.263 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056406540 1239330261 /nfs/dbraw/zinc/33/02/61/1239330261.db2.gz YANAHFSLQUDXQJ-CVEARBPZSA-N 1 2 344.459 2.146 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056424092 1239358071 /nfs/dbraw/zinc/35/80/71/1239358071.db2.gz WONVZQUDYDPLMX-CABCVRRESA-N 1 2 344.459 2.146 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001056455714 1239389400 /nfs/dbraw/zinc/38/94/00/1239389400.db2.gz HDUJUUNLXAFVRI-MUIFIZLQSA-N 1 2 342.443 2.071 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001056455714 1239389402 /nfs/dbraw/zinc/38/94/02/1239389402.db2.gz HDUJUUNLXAFVRI-MUIFIZLQSA-N 1 2 342.443 2.071 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001056487791 1239405265 /nfs/dbraw/zinc/40/52/65/1239405265.db2.gz FJZKZCRDQZEQHP-SJORKVTESA-N 1 2 344.459 2.209 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn3ccccc3n1)C2 ZINC001096481551 1240081474 /nfs/dbraw/zinc/08/14/74/1240081474.db2.gz KGIQISSMKZYTOF-IPYPFGDCSA-N 1 2 330.819 2.422 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn3ccccc3n1)C2 ZINC001096481551 1240081479 /nfs/dbraw/zinc/08/14/79/1240081479.db2.gz KGIQISSMKZYTOF-IPYPFGDCSA-N 1 2 330.819 2.422 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2CCn3cc(C)nc3C2)CC1 ZINC001000848712 1241040140 /nfs/dbraw/zinc/04/01/40/1241040140.db2.gz RZKGAIOQGKQFEK-INIZCTEOSA-N 1 2 348.878 2.255 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3cc(C)nc3C2)CC1 ZINC001000848712 1241040157 /nfs/dbraw/zinc/04/01/57/1241040157.db2.gz RZKGAIOQGKQFEK-INIZCTEOSA-N 1 2 348.878 2.255 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1n[nH]cc1C(F)(F)F ZINC001049515423 1241193511 /nfs/dbraw/zinc/19/35/11/1241193511.db2.gz OYHYTPSRIYGSSA-STQMWFEESA-N 1 2 340.349 2.131 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1n[nH]cc1C(F)(F)F ZINC001049515423 1241193520 /nfs/dbraw/zinc/19/35/20/1241193520.db2.gz OYHYTPSRIYGSSA-STQMWFEESA-N 1 2 340.349 2.131 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N(CCC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001096546423 1241369652 /nfs/dbraw/zinc/36/96/52/1241369652.db2.gz QINIYZCGXNDMNV-HNNXBMFYSA-N 1 2 344.459 2.031 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cn(CC)nn1 ZINC001049643229 1241739812 /nfs/dbraw/zinc/73/98/12/1241739812.db2.gz CTAGTMDLCLQHOL-JKSUJKDBSA-N 1 2 331.464 2.076 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cn(CC)nn1 ZINC001049643229 1241739819 /nfs/dbraw/zinc/73/98/19/1241739819.db2.gz CTAGTMDLCLQHOL-JKSUJKDBSA-N 1 2 331.464 2.076 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3Cc2cn(CC)nn2)C1 ZINC001049702670 1241924077 /nfs/dbraw/zinc/92/40/77/1241924077.db2.gz MYYYPDHWZIPJAW-SJORKVTESA-N 1 2 343.475 2.220 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cn(CC)nn2)C1 ZINC001049702670 1241924090 /nfs/dbraw/zinc/92/40/90/1241924090.db2.gz MYYYPDHWZIPJAW-SJORKVTESA-N 1 2 343.475 2.220 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001073518412 1242549516 /nfs/dbraw/zinc/54/95/16/1242549516.db2.gz 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BQAYCDHGILHMAU-CQSZACIVSA-N 1 2 333.407 2.157 20 30 EEEDLO CC(C)C#CC(=O)N1CCC[N@@H+](CC(=O)N[C@H](C)CCC(C)C)CC1 ZINC001195754433 1283702870 /nfs/dbraw/zinc/70/28/70/1283702870.db2.gz NQMYNIJUYSLXBY-GOSISDBHSA-N 1 2 349.519 2.121 20 30 EEEDLO CC(C)C#CC(=O)N1CCC[N@H+](CC(=O)N[C@H](C)CCC(C)C)CC1 ZINC001195754433 1283702879 /nfs/dbraw/zinc/70/28/79/1283702879.db2.gz NQMYNIJUYSLXBY-GOSISDBHSA-N 1 2 349.519 2.121 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[N@@H+](CC(=O)NCC(C)C)CC1 ZINC001195958509 1283843631 /nfs/dbraw/zinc/84/36/31/1283843631.db2.gz WQARMRAMCPBFCG-UHFFFAOYSA-N 1 2 343.899 2.072 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[N@H+](CC(=O)NCC(C)C)CC1 ZINC001195958509 1283843644 /nfs/dbraw/zinc/84/36/44/1283843644.db2.gz WQARMRAMCPBFCG-UHFFFAOYSA-N 1 2 343.899 2.072 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[N@@H+](CC(=O)N[C@H](C)C(C)C)CC1 ZINC001195990450 1283867402 /nfs/dbraw/zinc/86/74/02/1283867402.db2.gz TYTNNTHHGYYNOZ-MRXNPFEDSA-N 1 2 337.508 2.284 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[N@H+](CC(=O)N[C@H](C)C(C)C)CC1 ZINC001195990450 1283867409 /nfs/dbraw/zinc/86/74/09/1283867409.db2.gz TYTNNTHHGYYNOZ-MRXNPFEDSA-N 1 2 337.508 2.284 20 30 EEEDLO COCC#CC[N@@H+]1CCCN(C(=O)c2nc(C(C)(C)C)cs2)CC1 ZINC001196208921 1283952326 /nfs/dbraw/zinc/95/23/26/1283952326.db2.gz ZRYKUBFGOZPAIM-UHFFFAOYSA-N 1 2 349.500 2.238 20 30 EEEDLO COCC#CC[N@H+]1CCCN(C(=O)c2nc(C(C)(C)C)cs2)CC1 ZINC001196208921 1283952333 /nfs/dbraw/zinc/95/23/33/1283952333.db2.gz ZRYKUBFGOZPAIM-UHFFFAOYSA-N 1 2 349.500 2.238 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1cscn1 ZINC001152259818 1283989322 /nfs/dbraw/zinc/98/93/22/1283989322.db2.gz OGYDDVCMFWDSMD-ZIAGYGMSSA-N 1 2 325.478 2.451 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cscn1 ZINC001152259818 1283989326 /nfs/dbraw/zinc/98/93/26/1283989326.db2.gz OGYDDVCMFWDSMD-ZIAGYGMSSA-N 1 2 325.478 2.451 20 30 EEEDLO COCC(C)(C)C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196515949 1284103707 /nfs/dbraw/zinc/10/37/07/1284103707.db2.gz PQGFEHMTLDXOPK-UHFFFAOYSA-N 1 2 347.434 2.404 20 30 EEEDLO COCC(C)(C)C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001196515949 1284103711 /nfs/dbraw/zinc/10/37/11/1284103711.db2.gz PQGFEHMTLDXOPK-UHFFFAOYSA-N 1 2 347.434 2.404 20 30 EEEDLO CC(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001197244164 1284517662 /nfs/dbraw/zinc/51/76/62/1284517662.db2.gz LUPPUJHNCNEIEV-MORSLUCNSA-N 1 2 347.434 2.041 20 30 EEEDLO CC(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001197244164 1284517670 /nfs/dbraw/zinc/51/76/70/1284517670.db2.gz LUPPUJHNCNEIEV-MORSLUCNSA-N 1 2 347.434 2.041 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)N[C@H](C)C(C)C)CC1 ZINC001197291430 1284551078 /nfs/dbraw/zinc/55/10/78/1284551078.db2.gz DZPGLPINMPTFRY-MRXNPFEDSA-N 1 2 337.508 2.284 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[N@H+](CC(=O)N[C@H](C)C(C)C)CC1 ZINC001197291430 1284551086 /nfs/dbraw/zinc/55/10/86/1284551086.db2.gz DZPGLPINMPTFRY-MRXNPFEDSA-N 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ZINC001198309335 1285110750 /nfs/dbraw/zinc/11/07/50/1285110750.db2.gz CXIHCAALEHLZPM-INIZCTEOSA-N 1 2 335.492 2.039 20 30 EEEDLO C=CCC[C@H](C(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1)c1ccccc1 ZINC001198412297 1285144271 /nfs/dbraw/zinc/14/42/71/1285144271.db2.gz SSULEQICYYJUAO-AEFFLSMTSA-N 1 2 343.471 2.145 20 30 EEEDLO C=CCC[C@H](C(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1)c1ccccc1 ZINC001198412297 1285144275 /nfs/dbraw/zinc/14/42/75/1285144275.db2.gz SSULEQICYYJUAO-AEFFLSMTSA-N 1 2 343.471 2.145 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]([NH2+]CCF)c1ccccc1OC ZINC001198597245 1285243954 /nfs/dbraw/zinc/24/39/54/1285243954.db2.gz YSXNTOURBGGTKD-GDBMZVCRSA-N 1 2 338.423 2.393 20 30 EEEDLO C=CCOC(=O)N1CC[NH+](Cc2ccc(-c3nnc(C)o3)cc2)CC1 ZINC001235068159 1305103849 /nfs/dbraw/zinc/10/38/49/1305103849.db2.gz HCKANMJSNHAPTJ-UHFFFAOYSA-N 1 2 342.399 2.485 20 30 EEEDLO CCc1cc(C#N)ccc1C[NH+]1CC2(C1)COCC(=O)N2[C@H](C)CC ZINC001273902458 1289713568 /nfs/dbraw/zinc/71/35/68/1289713568.db2.gz NIDNXWUQPQOHLI-OAHLLOKOSA-N 1 2 341.455 2.332 20 30 EEEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(=O)c1ccc(OC)cc1 ZINC001273942498 1289968708 /nfs/dbraw/zinc/96/87/08/1289968708.db2.gz LUHWQTLGPFTNLG-IAGOWNOFSA-N 1 2 328.412 2.129 20 30 EEEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)c1ccc(OC)cc1 ZINC001273942498 1289968711 /nfs/dbraw/zinc/96/87/11/1289968711.db2.gz LUHWQTLGPFTNLG-IAGOWNOFSA-N 1 2 328.412 2.129 20 30 EEEDLO C#CCN(C(=O)CO[C@@H](C)CC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110620913 1291757028 /nfs/dbraw/zinc/75/70/28/1291757028.db2.gz AEDRHHOIDSVNSI-HNNXBMFYSA-N 1 2 344.459 2.031 20 30 EEEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852433695 1292112644 /nfs/dbraw/zinc/11/26/44/1292112644.db2.gz UMIXYWFAEDOQOZ-CQSZACIVSA-N 1 2 335.791 2.269 20 30 EEEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852433695 1292112648 /nfs/dbraw/zinc/11/26/48/1292112648.db2.gz UMIXYWFAEDOQOZ-CQSZACIVSA-N 1 2 335.791 2.269 20 30 EEEDLO C=CC1CC[NH+](Cn2nc(N3CCOCC3)sc2=S)CC1 ZINC000111166284 1292323751 /nfs/dbraw/zinc/32/37/51/1292323751.db2.gz BELLSIGLNHIGRG-UHFFFAOYSA-N 1 2 326.491 2.366 20 30 EEEDLO C=CC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@@H](C)COC ZINC000853534794 1292412375 /nfs/dbraw/zinc/41/23/75/1292412375.db2.gz MKKGJWQZFGRACB-ZDUSSCGKSA-N 1 2 331.376 2.334 20 30 EEEDLO C=CC[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@@H](C)COC ZINC000853534794 1292412381 /nfs/dbraw/zinc/41/23/81/1292412381.db2.gz MKKGJWQZFGRACB-ZDUSSCGKSA-N 1 2 331.376 2.334 20 30 EEEDLO C#CCC1(C(=O)N2CCC[C@H](Nc3cc[nH+]c(C)n3)C2)CCOCC1 ZINC001095312956 1292928804 /nfs/dbraw/zinc/92/88/04/1292928804.db2.gz NSVVTNSJCFZGEQ-INIZCTEOSA-N 1 2 342.443 2.008 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001095313145 1293065399 /nfs/dbraw/zinc/06/53/99/1293065399.db2.gz QMCKEWDKLIPQCN-AWEZNQCLSA-N 1 2 346.479 2.251 20 30 EEEDLO N#Cc1cc(Nc2ccc[nH+]c2N2CCOCC2)cc([N+](=O)[O-])c1 ZINC001211327233 1295820893 /nfs/dbraw/zinc/82/08/93/1295820893.db2.gz OTXWQVVXKTWZIJ-UHFFFAOYSA-N 1 2 325.328 2.442 20 30 EEEDLO CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2OC)CC1 ZINC001213409502 1296012409 /nfs/dbraw/zinc/01/24/09/1296012409.db2.gz HHRUITIGIAHNPA-QZTJIDSGSA-N 1 2 341.455 2.454 20 30 EEEDLO CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2OC)CC1 ZINC001213409502 1296012424 /nfs/dbraw/zinc/01/24/24/1296012424.db2.gz HHRUITIGIAHNPA-QZTJIDSGSA-N 1 2 341.455 2.454 20 30 EEEDLO CCCCc1noc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2C)n1 ZINC001214582425 1296519847 /nfs/dbraw/zinc/51/98/47/1296519847.db2.gz SCCUCRUDJJSTLO-HUUCEWRRSA-N 1 2 332.448 2.008 20 30 EEEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000886761705 1296715921 /nfs/dbraw/zinc/71/59/21/1296715921.db2.gz JLFKZGQRYYEGHC-UHFFFAOYSA-N 1 2 334.416 2.045 20 30 EEEDLO CC/C=C(\C)C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001217434835 1297434990 /nfs/dbraw/zinc/43/49/90/1297434990.db2.gz GYFNPJNLFTYOOC-XWAAZTCRSA-N 1 2 338.451 2.306 20 30 EEEDLO CC/C=C(\C)C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001217434835 1297434992 /nfs/dbraw/zinc/43/49/92/1297434992.db2.gz GYFNPJNLFTYOOC-XWAAZTCRSA-N 1 2 338.451 2.306 20 30 EEEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3oc(C(C)C)nc3C)C[C@@H]21 ZINC001217475882 1297444162 /nfs/dbraw/zinc/44/41/62/1297444162.db2.gz KVPKZIRIFCDYPI-DOTOQJQBSA-N 1 2 347.459 2.484 20 30 EEEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3oc(C(C)C)nc3C)C[C@@H]21 ZINC001217475882 1297444165 /nfs/dbraw/zinc/44/41/65/1297444165.db2.gz KVPKZIRIFCDYPI-DOTOQJQBSA-N 1 2 347.459 2.484 20 30 EEEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cc(F)ccc3OC)C[C@@H]21 ZINC001217494128 1297448876 /nfs/dbraw/zinc/44/88/76/1297448876.db2.gz WYHRETIFQJIAHP-FUHWJXTLSA-N 1 2 348.418 2.212 20 30 EEEDLO C=CCCC(=O)N1CCO[C@@H]2C[N@H+](Cc3cc(F)ccc3OC)C[C@@H]21 ZINC001217494128 1297448883 /nfs/dbraw/zinc/44/88/83/1297448883.db2.gz WYHRETIFQJIAHP-FUHWJXTLSA-N 1 2 348.418 2.212 20 30 EEEDLO 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EEEDLO C=CCO[C@H](C)C(=O)NC1CC[NH+]([C@@H](C)c2nnc(C)s2)CC1 ZINC001230407631 1303202095 /nfs/dbraw/zinc/20/20/95/1303202095.db2.gz VUBFZYOWBJTMKF-NWDGAFQWSA-N 1 2 338.477 2.079 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H]1CNc1ncnc2c1C[N@H+](C)CC2 ZINC001103815221 1303366269 /nfs/dbraw/zinc/36/62/69/1303366269.db2.gz NDLMOWXRHCGJEV-OAHLLOKOSA-N 1 2 343.475 2.224 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H]1CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001103815221 1303366277 /nfs/dbraw/zinc/36/62/77/1303366277.db2.gz NDLMOWXRHCGJEV-OAHLLOKOSA-N 1 2 343.475 2.224 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001103815523 1303366979 /nfs/dbraw/zinc/36/69/79/1303366979.db2.gz XSOSTQVDLDIEPI-CQSZACIVSA-N 1 2 346.479 2.251 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C=C1CCCCC1 ZINC001230947241 1303556071 /nfs/dbraw/zinc/55/60/71/1303556071.db2.gz ASKIIWCPIAOZNS-NVXWUHKLSA-N 1 2 333.476 2.100 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C=C1CCCCC1 ZINC001230947241 1303556076 /nfs/dbraw/zinc/55/60/76/1303556076.db2.gz ASKIIWCPIAOZNS-NVXWUHKLSA-N 1 2 333.476 2.100 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cccc(OC)n1 ZINC001231095496 1303627489 /nfs/dbraw/zinc/62/74/89/1303627489.db2.gz QUKZLORUZGWMFC-WBVHZDCISA-N 1 2 347.459 2.104 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cccc(OC)n1 ZINC001231095496 1303627494 /nfs/dbraw/zinc/62/74/94/1303627494.db2.gz QUKZLORUZGWMFC-WBVHZDCISA-N 1 2 347.459 2.104 20 30 EEEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnn(CC)n1)C2 ZINC001111763746 1303854434 /nfs/dbraw/zinc/85/44/34/1303854434.db2.gz FSLSCECAQSACGB-YJBOKZPZSA-N 1 2 331.464 2.125 20 30 EEEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnn(CC)n1)C2 ZINC001111763746 1303854443 /nfs/dbraw/zinc/85/44/43/1303854443.db2.gz FSLSCECAQSACGB-YJBOKZPZSA-N 1 2 331.464 2.125 20 30 EEEDLO C=CCOCC(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CCC1 ZINC001111772316 1303862063 /nfs/dbraw/zinc/86/20/63/1303862063.db2.gz UUHOBHTUJJZWNE-UHFFFAOYSA-N 1 2 344.459 2.317 20 30 EEEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2C[N@@H+](Cc2cc(F)c(O)c(F)c2)C3)CCC1 ZINC001277565290 1303917737 /nfs/dbraw/zinc/91/77/37/1303917737.db2.gz CGADFHXAXGIKKK-KZULUSFZSA-N 1 2 347.365 2.055 20 30 EEEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2C[N@H+](Cc2cc(F)c(O)c(F)c2)C3)CCC1 ZINC001277565290 1303917742 /nfs/dbraw/zinc/91/77/42/1303917742.db2.gz CGADFHXAXGIKKK-KZULUSFZSA-N 1 2 347.365 2.055 20 30 EEEDLO N#CC1(NC(=O)[C@@H]2CCC[C@@]23CC[N@H+](Cc2csnn2)C3)CCC1 ZINC001277573878 1303927197 /nfs/dbraw/zinc/92/71/97/1303927197.db2.gz BIWRMWVHKQOHTO-HOCLYGCPSA-N 1 2 345.472 2.093 20 30 EEEDLO N#CC1(NC(=O)[C@@H]2CCC[C@@]23CC[N@@H+](Cc2csnn2)C3)CCC1 ZINC001277573878 1303927201 /nfs/dbraw/zinc/92/72/01/1303927201.db2.gz BIWRMWVHKQOHTO-HOCLYGCPSA-N 1 2 345.472 2.093 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nocc2C)C1 ZINC001112068077 1304199446 /nfs/dbraw/zinc/19/94/46/1304199446.db2.gz HWGURLFLLQVMLN-DGCLKSJQSA-N 1 2 331.338 2.428 20 30 EEEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CC2)OC(=O)c2ccncc23)c1 ZINC001232678033 1304212848 /nfs/dbraw/zinc/21/28/48/1304212848.db2.gz OTRYSHSFXGVAQC-UHFFFAOYSA-N 1 2 335.363 2.321 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc(C#N)ccc3O)C[C@H]21 ZINC001232677666 1304213485 /nfs/dbraw/zinc/21/34/85/1304213485.db2.gz HPVAQYRFFZMKOC-LSDHHAIUSA-N 1 2 329.400 2.315 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3O)C[C@H]21 ZINC001232677666 1304213488 /nfs/dbraw/zinc/21/34/88/1304213488.db2.gz HPVAQYRFFZMKOC-LSDHHAIUSA-N 1 2 329.400 2.315 20 30 EEEDLO N#Cc1ccnc(C[N@H+]2CCC[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC001277746729 1304323546 /nfs/dbraw/zinc/32/35/46/1304323546.db2.gz JFYPLZFWGKNULX-HXUWFJFHSA-N 1 2 347.422 2.115 20 30 EEEDLO N#Cc1ccnc(C[N@@H+]2CCC[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC001277746729 1304323550 /nfs/dbraw/zinc/32/35/50/1304323550.db2.gz JFYPLZFWGKNULX-HXUWFJFHSA-N 1 2 347.422 2.115 20 30 EEEDLO N#Cc1cc[nH]c1C[NH+]1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC001233049134 1304343981 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C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N[C@H](C)C1CC1 ZINC001234510573 1304947775 /nfs/dbraw/zinc/94/77/75/1304947775.db2.gz ZGLFAOICYYPDTP-CRAIPNDOSA-N 1 2 347.503 2.202 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C1CCC1 ZINC001235741554 1305360209 /nfs/dbraw/zinc/36/02/09/1305360209.db2.gz IHEWLMKCVIOQJS-FUHWJXTLSA-N 1 2 349.519 2.380 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C1CCC1 ZINC001235741554 1305360224 /nfs/dbraw/zinc/36/02/24/1305360224.db2.gz IHEWLMKCVIOQJS-FUHWJXTLSA-N 1 2 349.519 2.380 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)CC12CC2 ZINC001237459431 1305942548 /nfs/dbraw/zinc/94/25/48/1305942548.db2.gz OUPHNRWTHOXXGM-OAHLLOKOSA-N 1 2 328.416 2.442 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)CC12CC2 ZINC001237459431 1305942549 /nfs/dbraw/zinc/94/25/49/1305942549.db2.gz OUPHNRWTHOXXGM-OAHLLOKOSA-N 1 2 328.416 2.442 20 30 EEEDLO CCOc1cc(C[NH+]2CCN(c3nccnc3C#N)CC2)ccc1C ZINC001238069309 1306209308 /nfs/dbraw/zinc/20/93/08/1306209308.db2.gz BVXYUDUMBSONGT-UHFFFAOYSA-N 1 2 337.427 2.378 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC2(C1)SCC[C@@H]2C(=O)N1CC=CC1 ZINC001278238974 1308892254 /nfs/dbraw/zinc/89/22/54/1308892254.db2.gz CJEWNGPNSKOYCT-QGZVFWFLSA-N 1 2 339.464 2.264 20 30 EEEDLO N#Cc1c(F)ccnc1-c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001240447960 1309327822 /nfs/dbraw/zinc/32/78/22/1309327822.db2.gz CPBRJHQNVSFJPK-UHFFFAOYSA-N 1 2 327.359 2.470 20 30 EEEDLO N#Cc1cnc(-c2ccc(OCC[NH+]3CCOCC3)cc2)c(F)c1 ZINC001240448174 1309327877 /nfs/dbraw/zinc/32/78/77/1309327877.db2.gz HGWFRKLDLDQRLG-UHFFFAOYSA-N 1 2 327.359 2.470 20 30 EEEDLO C[C@@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)Nc1cccc(F)c1C#N ZINC001120837912 1309779887 /nfs/dbraw/zinc/77/98/87/1309779887.db2.gz DLZMSCYQVDVEFF-LBPRGKRZSA-N 1 2 329.379 2.312 20 30 EEEDLO C[C@@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)Nc1cccc(F)c1C#N ZINC001120837912 1309779889 /nfs/dbraw/zinc/77/98/89/1309779889.db2.gz DLZMSCYQVDVEFF-LBPRGKRZSA-N 1 2 329.379 2.312 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001121620712 1310074852 /nfs/dbraw/zinc/07/48/52/1310074852.db2.gz RMKCSMAYOZSCMA-STQMWFEESA-N 1 2 332.477 2.119 20 30 EEEDLO C=CCCCNC(=S)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001247697397 1310682229 /nfs/dbraw/zinc/68/22/29/1310682229.db2.gz UIRXEZNUPGMRHF-KRWDZBQOSA-N 1 2 333.501 2.318 20 30 EEEDLO C=CCCCNC(=S)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001247697397 1310682235 /nfs/dbraw/zinc/68/22/35/1310682235.db2.gz UIRXEZNUPGMRHF-KRWDZBQOSA-N 1 2 333.501 2.318 20 30 EEEDLO C=CCN(CCc1ccccc1)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001123795620 1310710032 /nfs/dbraw/zinc/71/00/32/1310710032.db2.gz RYSBACSFOKQRSM-MJGOQNOKSA-N 1 2 344.503 2.061 20 30 EEEDLO C=CCN(CCc1ccccc1)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001123795620 1310710042 /nfs/dbraw/zinc/71/00/42/1310710042.db2.gz RYSBACSFOKQRSM-MJGOQNOKSA-N 1 2 344.503 2.061 20 30 EEEDLO CNc1nc(N2CCN(c3ccc(C#N)nc3)CC2)[nH+]c2ccccc21 ZINC000828100906 1314446118 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332.448 2.370 20 30 EEEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001112327119 1371395936 /nfs/dbraw/zinc/39/59/36/1371395936.db2.gz LNBYTWPJKTZXNZ-ZBFHGGJFSA-N 1 2 344.459 2.207 20 30 EEEDLO C=CCC1(C(=O)N2CCC(O)(CNc3cc[nH+]c(C)n3)CC2)CCC1 ZINC001112451950 1371450541 /nfs/dbraw/zinc/45/05/41/1371450541.db2.gz UJOZHDAUYIGENQ-UHFFFAOYSA-N 1 2 344.459 2.297 20 30 EEEDLO C[C@H](CCCNc1ccc(C#N)nc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001115110652 1371524732 /nfs/dbraw/zinc/52/47/32/1371524732.db2.gz ZSZYUTMULQFSPR-DAXOMENPSA-N 1 2 338.415 2.177 20 30 EEEDLO C[C@H](CCCNc1ccc(C#N)nc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001115110652 1371524737 /nfs/dbraw/zinc/52/47/37/1371524737.db2.gz ZSZYUTMULQFSPR-DAXOMENPSA-N 1 2 338.415 2.177 20 30 EEEDLO C#CCOCCC(=O)N1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001123279726 1372115236 /nfs/dbraw/zinc/11/52/36/1372115236.db2.gz IKHYQCXBMGSEAD-HZPDHXFCSA-N 1 2 344.459 2.350 20 30 EEEDLO 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1374140245 /nfs/dbraw/zinc/14/02/45/1374140245.db2.gz GXCYJROGNNXMTC-NOZJJQNGSA-N 1 2 349.303 2.440 20 30 EEEDLO CC(C)n1ncnc1C[N@H+](C)CCC1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001367434068 1374165869 /nfs/dbraw/zinc/16/58/69/1374165869.db2.gz BQKPMKHMDDUIRZ-OAHLLOKOSA-N 1 2 346.479 2.079 20 30 EEEDLO CC(C)n1ncnc1C[N@@H+](C)CCC1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001367434068 1374165871 /nfs/dbraw/zinc/16/58/71/1374165871.db2.gz BQKPMKHMDDUIRZ-OAHLLOKOSA-N 1 2 346.479 2.079 20 30 EEEDLO CCc1nn(C)cc1C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001367525512 1374196726 /nfs/dbraw/zinc/19/67/26/1374196726.db2.gz UEDHFMJVGBMTOA-UHFFFAOYSA-N 1 2 339.443 2.058 20 30 EEEDLO CCc1nn(C)cc1C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001367525512 1374196731 /nfs/dbraw/zinc/19/67/31/1374196731.db2.gz UEDHFMJVGBMTOA-UHFFFAOYSA-N 1 2 339.443 2.058 20 30 EEEDLO COCCC1(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)CCC1 ZINC001372197013 1375846679 /nfs/dbraw/zinc/84/66/79/1375846679.db2.gz LBPNZZJCMJKYPV-UHFFFAOYSA-N 1 2 329.444 2.313 20 30 EEEDLO COCCC1(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)CCC1 ZINC001372197013 1375846686 /nfs/dbraw/zinc/84/66/86/1375846686.db2.gz LBPNZZJCMJKYPV-UHFFFAOYSA-N 1 2 329.444 2.313 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+](CCNC(=O)c2ccon2)C2CC2)c1 ZINC001372771604 1376197564 /nfs/dbraw/zinc/19/75/64/1376197564.db2.gz ADOWVAMKKFWFCI-UHFFFAOYSA-N 1 2 328.347 2.080 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+](CCNC(=O)c2ccon2)C2CC2)c1 ZINC001372771604 1376197566 /nfs/dbraw/zinc/19/75/66/1376197566.db2.gz ADOWVAMKKFWFCI-UHFFFAOYSA-N 1 2 328.347 2.080 20 30 EEEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)Cc1cccnc1)C1CC1 ZINC001372785757 1376206175 /nfs/dbraw/zinc/20/61/75/1376206175.db2.gz KMJVOJRKFZVIQP-UHFFFAOYSA-N 1 2 334.423 2.277 20 30 EEEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)Cc1cccnc1)C1CC1 ZINC001372785757 1376206189 /nfs/dbraw/zinc/20/61/89/1376206189.db2.gz KMJVOJRKFZVIQP-UHFFFAOYSA-N 1 2 334.423 2.277 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1c(C)nc(C(C)C)[nH]c1=O ZINC001375076763 1377346122 /nfs/dbraw/zinc/34/61/22/1377346122.db2.gz 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C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1n[nH]c(=O)c2ccccc21 ZINC001378185208 1379766980 /nfs/dbraw/zinc/76/69/80/1379766980.db2.gz AYHIWMKWUPHTIL-NSHDSACASA-N 1 2 334.807 2.138 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1n[nH]c(=O)c2ccccc21 ZINC001378185208 1379766981 /nfs/dbraw/zinc/76/69/81/1379766981.db2.gz AYHIWMKWUPHTIL-NSHDSACASA-N 1 2 334.807 2.138 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CCc2cnn(C)c2C)C1 ZINC001378202591 1379782108 /nfs/dbraw/zinc/78/21/08/1379782108.db2.gz JQSHHMFKYYFZIY-INIZCTEOSA-N 1 2 338.883 2.336 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CCc2cnn(C)c2C)C1 ZINC001378202591 1379782111 /nfs/dbraw/zinc/78/21/11/1379782111.db2.gz JQSHHMFKYYFZIY-INIZCTEOSA-N 1 2 338.883 2.336 20 30 EEEDLO Cc1nnc([C@H](C)[NH2+]CCN(Cc2ccccc2)C(=O)[C@H](C)C#N)o1 ZINC001380703046 1381348062 /nfs/dbraw/zinc/34/80/62/1381348062.db2.gz BTHYJELLOKYOIZ-KGLIPLIRSA-N 1 2 341.415 2.217 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[NH+]1CCN(Cc2nc(C)oc2C)CC1 ZINC001752365756 1406286490 /nfs/dbraw/zinc/28/64/90/1406286490.db2.gz IPUWNKJIFCPMQL-UHFFFAOYSA-N 1 2 348.491 2.128 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H](C)[NH2+]Cc1nc(CC(F)(F)F)no1 ZINC001752876580 1406505962 /nfs/dbraw/zinc/50/59/62/1406505962.db2.gz BUWCCAAQUKCELZ-JTQLQIEISA-N 1 2 334.342 2.125 20 30 EEEDLO C=CC[C@H](C(=O)NCC[N@@H+](C)CC(=O)N1CCCC1)c1ccccc1 ZINC001753075869 1406669146 /nfs/dbraw/zinc/66/91/46/1406669146.db2.gz MLRVWOFBSBLKQN-SFHVURJKSA-N 1 2 343.471 2.017 20 30 EEEDLO C=CC[C@H](C(=O)NCC[N@H+](C)CC(=O)N1CCCC1)c1ccccc1 ZINC001753075869 1406669148 /nfs/dbraw/zinc/66/91/48/1406669148.db2.gz MLRVWOFBSBLKQN-SFHVURJKSA-N 1 2 343.471 2.017 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1COc2ccccc2O1)C1CC1 ZINC001400043253 1395852604 /nfs/dbraw/zinc/85/26/04/1395852604.db2.gz OJSLKOFZEACDTG-INIZCTEOSA-N 1 2 336.819 2.160 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1COc2ccccc2O1)C1CC1 ZINC001400043253 1395852613 /nfs/dbraw/zinc/85/26/13/1395852613.db2.gz OJSLKOFZEACDTG-INIZCTEOSA-N 1 2 336.819 2.160 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)C[C@H]3CCCOC3)C2)c1 ZINC001400570419 1396435634 /nfs/dbraw/zinc/43/56/34/1396435634.db2.gz WSNCQRKFSMHONZ-OAHLLOKOSA-N 1 2 345.418 2.062 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nnc(CC)s3)C[C@H]21 ZINC001755429135 1407446468 /nfs/dbraw/zinc/44/64/68/1407446468.db2.gz BCORZVYOXKLDRU-ZSOGYDGISA-N 1 2 348.516 2.497 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nnc(CC)s3)C[C@H]21 ZINC001755429135 1407446472 /nfs/dbraw/zinc/44/64/72/1407446472.db2.gz BCORZVYOXKLDRU-ZSOGYDGISA-N 1 2 348.516 2.497 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)Cc1ccco1 ZINC001401416042 1397259191 /nfs/dbraw/zinc/25/91/91/1397259191.db2.gz ILBZXQZUVFWEKN-UHFFFAOYSA-N 1 2 329.375 2.423 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)Cc1ccco1 ZINC001401416042 1397259198 /nfs/dbraw/zinc/25/91/98/1397259198.db2.gz ILBZXQZUVFWEKN-UHFFFAOYSA-N 1 2 329.375 2.423 20 30 EEEDLO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](NC(=O)C#CC(C)C)CC2)[nH]1 ZINC001755023596 1407043380 /nfs/dbraw/zinc/04/33/80/1407043380.db2.gz KHFSXWUBILLRRH-HUUCEWRRSA-N 1 2 331.464 2.058 20 30 EEEDLO CCc1nnc([C@@H](C)[N@H+]2CCC[C@@H](NC(=O)C#CC(C)C)CC2)[nH]1 ZINC001755023596 1407043382 /nfs/dbraw/zinc/04/33/82/1407043382.db2.gz KHFSXWUBILLRRH-HUUCEWRRSA-N 1 2 331.464 2.058 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)Cc1ccccc1)CO2 ZINC001755065716 1407074889 /nfs/dbraw/zinc/07/48/89/1407074889.db2.gz QGJLEIXSDMLCEC-AEFFLSMTSA-N 1 2 328.456 2.401 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCC[C@](CO)([NH2+]Cc2coc(C)n2)C1 ZINC001755083589 1407096538 /nfs/dbraw/zinc/09/65/38/1407096538.db2.gz UPJWLAGXHXQGFI-IBGZPJMESA-N 1 2 347.459 2.195 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@@](CO)([NH2+]Cc2nocc2C)C1 ZINC001755083201 1407096851 /nfs/dbraw/zinc/09/68/51/1407096851.db2.gz MAWYPUUWSZBZHU-GOSISDBHSA-N 1 2 335.448 2.028 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2nncn2C)CC1(C)C ZINC001755137621 1407147397 /nfs/dbraw/zinc/14/73/97/1407147397.db2.gz AQTLFIJEUPJHCK-CABCVRRESA-N 1 2 333.480 2.449 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+]([C@H](C)c2nncn2C)CC1(C)C ZINC001755137621 1407147401 /nfs/dbraw/zinc/14/74/01/1407147401.db2.gz AQTLFIJEUPJHCK-CABCVRRESA-N 1 2 333.480 2.449 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[N@@H+](Cc2csc(CC)n2)[C@H](C)C1 ZINC001755161561 1407171075 /nfs/dbraw/zinc/17/10/75/1407171075.db2.gz XUOKDPOPBWLFMU-HUUCEWRRSA-N 1 2 349.500 2.215 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[N@H+](Cc2csc(CC)n2)[C@H](C)C1 ZINC001755161561 1407171080 /nfs/dbraw/zinc/17/10/80/1407171080.db2.gz XUOKDPOPBWLFMU-HUUCEWRRSA-N 1 2 349.500 2.215 20 30 EEEDLO Cc1cc(C)c(C(=O)NCC(C)(C)CN(C)C(=O)[C@@H](C)C#N)c(C)[nH+]1 ZINC001426550333 1402093432 /nfs/dbraw/zinc/09/34/32/1402093432.db2.gz GCCFRIJTVOWIQJ-ZDUSSCGKSA-N 1 2 344.459 2.381 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)c2ccccc2)C1 ZINC001731373630 1405850052 /nfs/dbraw/zinc/85/00/52/1405850052.db2.gz FERNWKUEDLICPQ-INIZCTEOSA-N 1 2 343.471 2.442 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)c2ccccc2)C1 ZINC001731373630 1405850066 /nfs/dbraw/zinc/85/00/66/1405850066.db2.gz FERNWKUEDLICPQ-INIZCTEOSA-N 1 2 343.471 2.442 20 30 EEEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(CCC)no1 ZINC001733710235 1406014017 /nfs/dbraw/zinc/01/40/17/1406014017.db2.gz QXKXIFGCVXQZQW-OAHLLOKOSA-N 1 2 332.448 2.296 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)CCCC1 ZINC001740084738 1406105021 /nfs/dbraw/zinc/10/50/21/1406105021.db2.gz CPGBPQGTNPCGHK-CVEARBPZSA-N 1 2 344.459 2.125 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H](C)[NH2+]Cc2nc(CCC)no2)cc1 ZINC001755599512 1407669731 /nfs/dbraw/zinc/66/97/31/1407669731.db2.gz UFMXOPRDJKFQGB-CQSZACIVSA-N 1 2 340.427 2.254 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H](CO)[NH2+]Cc2ncoc2C(C)C)CC1 ZINC001755637716 1407697300 /nfs/dbraw/zinc/69/73/00/1407697300.db2.gz FZDOIJCSHJADHV-OAHLLOKOSA-N 1 2 335.448 2.111 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@@H]([NH2+]Cc2nc(CC3CC3)no2)C[C@H]1C ZINC001755674404 1407722228 /nfs/dbraw/zinc/72/22/28/1407722228.db2.gz FONAEWHMHHLCLC-HIFRSBDPSA-N 1 2 332.448 2.457 20 30 EEEDLO CC(C)C#CC(=O)N1C[C@@H]([NH2+]Cc2nc(CC3CC3)no2)C(C)(C)C1 ZINC001755758824 1407816752 /nfs/dbraw/zinc/81/67/52/1407816752.db2.gz FNGDYBNZZIHQGL-OAHLLOKOSA-N 1 2 344.459 2.008 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC1=CC[N@H+](Cc2cncc(OC)n2)CC1 ZINC001755892800 1407960839 /nfs/dbraw/zinc/96/08/39/1407960839.db2.gz WNKAREOAGAESMH-IBGZPJMESA-N 1 2 344.459 2.336 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC1=CC[N@@H+](Cc2cncc(OC)n2)CC1 ZINC001755892800 1407960844 /nfs/dbraw/zinc/96/08/44/1407960844.db2.gz WNKAREOAGAESMH-IBGZPJMESA-N 1 2 344.459 2.336 20 30 EEEDLO C=CCCCC(=O)NCC1=CC[N@H+](Cc2cncc(OC)n2)CC1 ZINC001755893454 1407962540 /nfs/dbraw/zinc/96/25/40/1407962540.db2.gz USKGWQSSIFMNDA-UHFFFAOYSA-N 1 2 330.432 2.090 20 30 EEEDLO C=CCCCC(=O)NCC1=CC[N@@H+](Cc2cncc(OC)n2)CC1 ZINC001755893454 1407962545 /nfs/dbraw/zinc/96/25/45/1407962545.db2.gz USKGWQSSIFMNDA-UHFFFAOYSA-N 1 2 330.432 2.090 20 30 EEEDLO C#CCCCC(=O)NC1(CNC(=O)CCn2cc[nH+]c2)CCCCC1 ZINC001756102852 1408140538 /nfs/dbraw/zinc/14/05/38/1408140538.db2.gz CLPGGTKLVKXGPC-UHFFFAOYSA-N 1 2 344.459 2.012 20 30 EEEDLO C=CCCCC(=O)N[C@H]1C[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001756261388 1408266894 /nfs/dbraw/zinc/26/68/94/1408266894.db2.gz VOSMKHFPJMXMIY-SHTZXODSSA-N 1 2 340.427 2.315 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H](C)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001756472978 1408697194 /nfs/dbraw/zinc/69/71/94/1408697194.db2.gz HKQKGJNOFDIJDF-HUUCEWRRSA-N 1 2 346.475 2.011 20 30 EEEDLO C=C(C)CCC(=O)N1CCC(C2(NC(=O)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001756752988 1409284897 /nfs/dbraw/zinc/28/48/97/1409284897.db2.gz YKAIMXIXQXWLBA-UHFFFAOYSA-N 1 2 344.459 2.196 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001756827890 1409377309 /nfs/dbraw/zinc/37/73/09/1409377309.db2.gz WFVCBJVMQAQDHD-CABCVRRESA-N 1 2 332.448 2.029 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1CC ZINC001757452048 1409721944 /nfs/dbraw/zinc/72/19/44/1409721944.db2.gz CSXFQEAPLXMDLE-HYVNUMGLSA-N 1 2 346.475 2.061 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001122377638 1410275729 /nfs/dbraw/zinc/27/57/29/1410275729.db2.gz BKEMKPBFCAMDBS-WFASDCNBSA-N 1 2 332.448 2.154 20 30 EEEDLO C=CCCCC(=O)N1C[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)C[C@@H]1C ZINC001123310351 1410298417 /nfs/dbraw/zinc/29/84/17/1410298417.db2.gz UVQIBFLSNRBJLE-GJZGRUSLSA-N 1 2 343.475 2.222 20 30 EEEDLO C=CCCCC(=O)N1C[C@@H](Nc2ncnc3c2C[N@@H+](C)CC3)C[C@@H]1C ZINC001123310351 1410298423 /nfs/dbraw/zinc/29/84/23/1410298423.db2.gz UVQIBFLSNRBJLE-GJZGRUSLSA-N 1 2 343.475 2.222 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCCN(CC)c1nc(C)[nH+]c2c1CCCC2 ZINC001100552015 1410669114 /nfs/dbraw/zinc/66/91/14/1410669114.db2.gz DZUDISXXIMMMMV-CQSZACIVSA-N 1 2 346.475 2.197 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NCCOCCN(C)c1cc[nH+]c(C)n1 ZINC001115228842 1410995947 /nfs/dbraw/zinc/99/59/47/1410995947.db2.gz WPPVXRVTNRJJRL-UHFFFAOYSA-N 1 2 340.855 2.133 20 30 EEEDLO CC(C)c1nsc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)n1 ZINC001087909846 782536052 /nfs/dbraw/zinc/53/60/52/782536052.db2.gz ZRGMHNSFOQFVCU-MCIONIFRSA-N 1 2 347.488 2.101 20 30 EEEDLO CC(C)c1nsc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)n1 ZINC001087909846 782536057 /nfs/dbraw/zinc/53/60/57/782536057.db2.gz ZRGMHNSFOQFVCU-MCIONIFRSA-N 1 2 347.488 2.101 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)CCCNc1[nH+]cnc2c1cnn2C ZINC001109530380 805625770 /nfs/dbraw/zinc/62/57/70/805625770.db2.gz WWJLHDACIZPQCO-UHFFFAOYSA-N 1 2 342.447 2.392 20 30 EEEDLO CCOC(=O)c1cc(C)nc(N2CCC(n3cc[nH+]c3)CC2)c1C#N ZINC001167124090 757354098 /nfs/dbraw/zinc/35/40/98/757354098.db2.gz UFRDQDZEZJZVMB-UHFFFAOYSA-N 1 2 339.399 2.476 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](C)CNc1cccc(F)c1C#N ZINC001104233629 757367489 /nfs/dbraw/zinc/36/74/89/757367489.db2.gz CNJNXUPIBLQPRU-QWHCGFSZSA-N 1 2 343.406 2.463 20 30 EEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](C)CNc1cccc(F)c1C#N ZINC001104233629 757367501 /nfs/dbraw/zinc/36/75/01/757367501.db2.gz CNJNXUPIBLQPRU-QWHCGFSZSA-N 1 2 343.406 2.463 20 30 EEEDLO Cc1nc(NC[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)ccc1C#N ZINC001104238441 757409761 /nfs/dbraw/zinc/40/97/61/757409761.db2.gz JCRKUUXPAFYWKL-ZIAGYGMSSA-N 1 2 340.431 2.274 20 30 EEEDLO C[C@H](CCCNc1ccc(C#N)cn1)NC(=O)CCCn1cc[nH+]c1 ZINC001114956819 757764047 /nfs/dbraw/zinc/76/40/47/757764047.db2.gz CUFGHYWTPZOVAR-OAHLLOKOSA-N 1 2 340.431 2.327 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N(CCN(C)c1cc[nH+]c(C)n1)C(C)C ZINC001125405558 758040913 /nfs/dbraw/zinc/04/09/13/758040913.db2.gz XOSICEZKMKPVKX-OAHLLOKOSA-N 1 2 334.464 2.439 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)c3cc4ccccc4o3)[C@H]2C1 ZINC001083244279 760371319 /nfs/dbraw/zinc/37/13/19/760371319.db2.gz QEKKQVKVJPKTBO-URLQWDBASA-N 1 2 338.407 2.081 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)c3cc4ccccc4o3)[C@H]2C1 ZINC001083244279 760371329 /nfs/dbraw/zinc/37/13/29/760371329.db2.gz QEKKQVKVJPKTBO-URLQWDBASA-N 1 2 338.407 2.081 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)Cc3ccccc3C)[C@H]2C1 ZINC001083248485 760704090 /nfs/dbraw/zinc/70/40/90/760704090.db2.gz JIBDZDISVXWXOS-YZGWKJHDSA-N 1 2 340.467 2.109 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)Cc3ccccc3C)[C@H]2C1 ZINC001083248485 760704094 /nfs/dbraw/zinc/70/40/94/760704094.db2.gz JIBDZDISVXWXOS-YZGWKJHDSA-N 1 2 340.467 2.109 20 30 EEEDLO C#CCSCCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783004151 764963653 /nfs/dbraw/zinc/96/36/53/764963653.db2.gz IGSGXVAHANWEHV-UHFFFAOYSA-N 1 2 334.489 2.451 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3c(CC)oc4ccccc43)[C@H]2C1 ZINC001083284770 764997743 /nfs/dbraw/zinc/99/77/43/764997743.db2.gz OPYUQZBOQMWWCS-MAUKXSAKSA-N 1 2 338.407 2.154 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3c(CC)oc4ccccc43)[C@H]2C1 ZINC001083284770 764997748 /nfs/dbraw/zinc/99/77/48/764997748.db2.gz OPYUQZBOQMWWCS-MAUKXSAKSA-N 1 2 338.407 2.154 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@@H](C)CNc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001104797500 765306840 /nfs/dbraw/zinc/30/68/40/765306840.db2.gz XETJMOCKPHLFKO-ZDUSSCGKSA-N 1 2 346.479 2.251 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)[C@@H](C)CNc2ccc(C#N)nn2)c(C)[nH+]1 ZINC001104883413 765500388 /nfs/dbraw/zinc/50/03/88/765500388.db2.gz JEFVDUUCYWPBBJ-ZDUSSCGKSA-N 1 2 338.415 2.241 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)[C@@H](C)CNc2cnc(C#N)cn2)c(C)[nH+]1 ZINC001104883475 765501014 /nfs/dbraw/zinc/50/10/14/765501014.db2.gz KPHKDALPEKOWJN-ZDUSSCGKSA-N 1 2 338.415 2.241 20 30 EEEDLO C#CCOCCC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CCCCC1 ZINC001105020396 768886370 /nfs/dbraw/zinc/88/63/70/768886370.db2.gz FPOGDEVTNOBPPR-KRWDZBQOSA-N 1 2 344.459 2.302 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@H]1CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001105063141 768972917 /nfs/dbraw/zinc/97/29/17/768972917.db2.gz NHBWGMPWIKQAFX-HNNXBMFYSA-N 1 2 346.479 2.395 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H](C)[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001105087754 769030579 /nfs/dbraw/zinc/03/05/79/769030579.db2.gz VTEYFXDGMRJIQT-UKRRQHHQSA-N 1 2 342.447 2.369 20 30 EEEDLO C=CCCOCC(=O)N1CCC[C@@H](C)[C@H]1CNc1cc[nH+]c(C)n1 ZINC001105091906 769052375 /nfs/dbraw/zinc/05/23/75/769052375.db2.gz GUANYDZDPCOLPG-GDBMZVCRSA-N 1 2 332.448 2.417 20 30 EEEDLO CC(C)[C@@H](CNC(=O)c1cccc2[nH+]ccn21)Nc1ccc(C#N)cn1 ZINC001105250089 769465376 /nfs/dbraw/zinc/46/53/76/769465376.db2.gz GSANIWMVUNXGSA-OAHLLOKOSA-N 1 2 348.410 2.467 20 30 EEEDLO Cc1ncsc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031554883 769583408 /nfs/dbraw/zinc/58/34/08/769583408.db2.gz CXKLIGRDLKWNTG-UHFFFAOYSA-N 1 2 343.427 2.304 20 30 EEEDLO CC(C)[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)Nc1ncccc1C#N ZINC001105291720 769599929 /nfs/dbraw/zinc/59/99/29/769599929.db2.gz POHQJHVPWBRFDX-CJNGLKHVSA-N 1 2 340.431 2.108 20 30 EEEDLO CC(C)[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)Nc1ncccc1C#N ZINC001105291720 769599939 /nfs/dbraw/zinc/59/99/39/769599939.db2.gz POHQJHVPWBRFDX-CJNGLKHVSA-N 1 2 340.431 2.108 20 30 EEEDLO CC(C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1cccc(F)c1C#N ZINC001105293760 769611479 /nfs/dbraw/zinc/61/14/79/769611479.db2.gz FRICYFXYKBFJAA-INIZCTEOSA-N 1 2 329.379 2.216 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)C1=COCCC1 ZINC001031572618 769766683 /nfs/dbraw/zinc/76/66/83/769766683.db2.gz GIPWJSNJRZHTBT-UHFFFAOYSA-N 1 2 344.842 2.434 20 30 EEEDLO Cc1ncoc1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001031600729 770055180 /nfs/dbraw/zinc/05/51/80/770055180.db2.gz DRRHDCDPIJYWFV-UHFFFAOYSA-N 1 2 343.814 2.350 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[C@@H]3C(F)F)C2)c(F)c1 ZINC001031642661 770544839 /nfs/dbraw/zinc/54/48/39/770544839.db2.gz WNLPVSXGEPBBEW-KBPBESRZSA-N 1 2 337.345 2.147 20 30 EEEDLO Cc1cc[nH]c1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031644833 770565301 /nfs/dbraw/zinc/56/53/01/770565301.db2.gz PWNOVKIISMXGEI-UHFFFAOYSA-N 1 2 326.375 2.196 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccnn2C2CCC2)C1 ZINC001031676145 770893388 /nfs/dbraw/zinc/89/33/88/770893388.db2.gz HZHYSVMQZDYCQI-UHFFFAOYSA-N 1 2 349.438 2.342 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccnn1CC(F)F ZINC001027884158 773974762 /nfs/dbraw/zinc/97/47/62/773974762.db2.gz XHXQMGYJEUYIAK-LLVKDONJSA-N 1 2 332.782 2.095 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnn1CC(F)F ZINC001027884158 773974766 /nfs/dbraw/zinc/97/47/66/773974766.db2.gz XHXQMGYJEUYIAK-LLVKDONJSA-N 1 2 332.782 2.095 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](Cc2ccc3c(c2)nnn3C)CC1 ZINC000950035246 774785415 /nfs/dbraw/zinc/78/54/15/774785415.db2.gz VHDVVCCPMLHHQM-LJQANCHMSA-N 1 2 341.459 2.215 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001067513900 790329361 /nfs/dbraw/zinc/32/93/61/790329361.db2.gz AIHORKCKCNRDDR-JKSUJKDBSA-N 1 2 348.491 2.498 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001067513900 790329374 /nfs/dbraw/zinc/32/93/74/790329374.db2.gz AIHORKCKCNRDDR-JKSUJKDBSA-N 1 2 348.491 2.498 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001027968373 775355769 /nfs/dbraw/zinc/35/57/69/775355769.db2.gz PRMNRBURIMNWRE-TZMCWYRMSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001027968373 775355781 /nfs/dbraw/zinc/35/57/81/775355781.db2.gz PRMNRBURIMNWRE-TZMCWYRMSA-N 1 2 336.867 2.412 20 30 EEEDLO CC[C@H](OC)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000980813513 775693804 /nfs/dbraw/zinc/69/38/04/775693804.db2.gz VRDISHYEUCMJTN-KRWDZBQOSA-N 1 2 333.407 2.157 20 30 EEEDLO CC[C@H](OC)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000980813513 775693811 /nfs/dbraw/zinc/69/38/11/775693811.db2.gz VRDISHYEUCMJTN-KRWDZBQOSA-N 1 2 333.407 2.157 20 30 EEEDLO CO[C@@H]1CC[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001031791256 775703371 /nfs/dbraw/zinc/70/33/71/775703371.db2.gz HYBRPZGLCBLUCE-IEBWSBKVSA-N 1 2 344.430 2.040 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001091359828 790434569 /nfs/dbraw/zinc/43/45/69/790434569.db2.gz LPZFPUUCMCOBIR-BETUJISGSA-N 1 2 341.390 2.278 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC000981084042 776509907 /nfs/dbraw/zinc/50/99/07/776509907.db2.gz YOEGVDGDYPGIMN-HOTGVXAUSA-N 1 2 333.382 2.494 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC000981084042 776509915 /nfs/dbraw/zinc/50/99/15/776509915.db2.gz YOEGVDGDYPGIMN-HOTGVXAUSA-N 1 2 333.382 2.494 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2snnc2C)cc1 ZINC001028067526 776954296 /nfs/dbraw/zinc/95/42/96/776954296.db2.gz WGICJDNJONSYLM-MRXNPFEDSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2snnc2C)cc1 ZINC001028067526 776954301 /nfs/dbraw/zinc/95/43/01/776954301.db2.gz WGICJDNJONSYLM-MRXNPFEDSA-N 1 2 340.452 2.222 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(CC)CCNc1[nH+]cnc2c1cnn2C ZINC001106915308 777073231 /nfs/dbraw/zinc/07/32/31/777073231.db2.gz FQFXWRYVSNCVMB-CYBMUJFWSA-N 1 2 330.436 2.226 20 30 EEEDLO COC1CC(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3F)CC2)C1 ZINC000981404768 777327344 /nfs/dbraw/zinc/32/73/44/777327344.db2.gz NYGMUUXVEIDBRH-UHFFFAOYSA-N 1 2 345.418 2.157 20 30 EEEDLO COC1CC(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3F)CC2)C1 ZINC000981404768 777327347 /nfs/dbraw/zinc/32/73/47/777327347.db2.gz NYGMUUXVEIDBRH-UHFFFAOYSA-N 1 2 345.418 2.157 20 30 EEEDLO COC1CC(C(=O)N2CCC[N@H+](Cc3cc(C#N)ccc3F)CC2)C1 ZINC000981404769 777327934 /nfs/dbraw/zinc/32/79/34/777327934.db2.gz NZOQFNAJTBHKJX-UHFFFAOYSA-N 1 2 345.418 2.157 20 30 EEEDLO COC1CC(C(=O)N2CCC[N@@H+](Cc3cc(C#N)ccc3F)CC2)C1 ZINC000981404769 777327938 /nfs/dbraw/zinc/32/79/38/777327938.db2.gz NZOQFNAJTBHKJX-UHFFFAOYSA-N 1 2 345.418 2.157 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001060765787 777970960 /nfs/dbraw/zinc/97/09/60/777970960.db2.gz TXLBJALPRKJUFT-WKILWMFISA-N 1 2 346.475 2.110 20 30 EEEDLO COCCN(CCNC(=O)C#CC(C)C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001126324698 778494750 /nfs/dbraw/zinc/49/47/50/778494750.db2.gz KGJWRNVTHCHPEV-UHFFFAOYSA-N 1 2 346.475 2.137 20 30 EEEDLO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000982002286 778835568 /nfs/dbraw/zinc/83/55/68/778835568.db2.gz BNMNPDIMXLSADG-AQNXPRMDSA-N 1 2 338.451 2.140 20 30 EEEDLO O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000982002286 778835577 /nfs/dbraw/zinc/83/55/77/778835577.db2.gz BNMNPDIMXLSADG-AQNXPRMDSA-N 1 2 338.451 2.140 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)C(C)(C)C1 ZINC000940590444 778910461 /nfs/dbraw/zinc/91/04/61/778910461.db2.gz MEVIRACKRLLCTC-LBPRGKRZSA-N 1 2 341.253 2.149 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccn[nH]2)C(C)(C)C1 ZINC000940590444 778910465 /nfs/dbraw/zinc/91/04/65/778910465.db2.gz MEVIRACKRLLCTC-LBPRGKRZSA-N 1 2 341.253 2.149 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(CC)CCNc1[nH+]cnc2c1cnn2C ZINC001106932869 779207720 /nfs/dbraw/zinc/20/77/20/779207720.db2.gz RHTLWPFDPLVGQO-KRWDZBQOSA-N 1 2 330.436 2.226 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)CCc2ncccn2)CC1 ZINC000982318082 779701015 /nfs/dbraw/zinc/70/10/15/779701015.db2.gz XJBQQCLGCUQUSM-UHFFFAOYSA-N 1 2 349.438 2.015 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCc2ncccn2)CC1 ZINC000982318082 779701017 /nfs/dbraw/zinc/70/10/17/779701017.db2.gz XJBQQCLGCUQUSM-UHFFFAOYSA-N 1 2 349.438 2.015 20 30 EEEDLO CCN(CCNc1ncccc1C#N)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001106947629 779866091 /nfs/dbraw/zinc/86/60/91/779866091.db2.gz WLVSJGMUJKWVJY-CQSZACIVSA-N 1 2 338.415 2.057 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C)cc2=O)C(C)(C)C1 ZINC000941141718 779958659 /nfs/dbraw/zinc/95/86/59/779958659.db2.gz KBTQZQDLMFSRSC-OAHLLOKOSA-N 1 2 337.851 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C)cc2=O)C(C)(C)C1 ZINC000941141718 779958665 /nfs/dbraw/zinc/95/86/65/779958665.db2.gz KBTQZQDLMFSRSC-OAHLLOKOSA-N 1 2 337.851 2.266 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCC[C@@H](C)CCC)C2)nn1 ZINC001098679269 780908283 /nfs/dbraw/zinc/90/82/83/780908283.db2.gz WUCRXCZYBVAAFN-FUHWJXTLSA-N 1 2 345.491 2.381 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3(C)C)[C@@H]2C1 ZINC001075698119 781151890 /nfs/dbraw/zinc/15/18/90/781151890.db2.gz RQRZUNUWQSLMNP-RWMBFGLXSA-N 1 2 327.266 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3(C)C)[C@@H]2C1 ZINC001075698119 781151891 /nfs/dbraw/zinc/15/18/91/781151891.db2.gz RQRZUNUWQSLMNP-RWMBFGLXSA-N 1 2 327.266 2.474 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)[C@@H]2C1 ZINC001075743316 781262229 /nfs/dbraw/zinc/26/22/29/781262229.db2.gz MOQCNXMECQXRQG-FIQHERPVSA-N 1 2 349.219 2.329 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)[C@@H]2C1 ZINC001075743316 781262234 /nfs/dbraw/zinc/26/22/34/781262234.db2.gz MOQCNXMECQXRQG-FIQHERPVSA-N 1 2 349.219 2.329 20 30 EEEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cnco2)C1 ZINC001087466876 781276212 /nfs/dbraw/zinc/27/62/12/781276212.db2.gz RXHRFOYOHGBZDQ-HZPDHXFCSA-N 1 2 327.359 2.035 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cnco2)C1 ZINC001087466876 781276215 /nfs/dbraw/zinc/27/62/15/781276215.db2.gz RXHRFOYOHGBZDQ-HZPDHXFCSA-N 1 2 327.359 2.035 20 30 EEEDLO Cc1nc(N(C)CCN(C)C(=O)C#CC(C)C)c2c([nH+]1)CCCC2 ZINC001105386929 781551751 /nfs/dbraw/zinc/55/17/51/781551751.db2.gz WLYAOJIRNSXRGM-UHFFFAOYSA-N 1 2 328.460 2.218 20 30 EEEDLO C=CCOc1ccc(C(=O)NC2C[NH+](C[C@@H]3CC[C@H](C)O3)C2)cc1 ZINC001030541320 790900055 /nfs/dbraw/zinc/90/00/55/790900055.db2.gz KPQQMRRILCNGBE-KSSFIOAISA-N 1 2 330.428 2.233 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2noc3c2CC(C)(C)CC3)C1 ZINC001035456671 784506678 /nfs/dbraw/zinc/50/66/78/784506678.db2.gz KPOBFEMLWVZJRK-AWEZNQCLSA-N 1 2 347.459 2.196 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2noc3c2CC(C)(C)CC3)C1 ZINC001035456671 784506685 /nfs/dbraw/zinc/50/66/85/784506685.db2.gz KPOBFEMLWVZJRK-AWEZNQCLSA-N 1 2 347.459 2.196 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCc3cc(C)ccc3O2)C1 ZINC001035444409 784539743 /nfs/dbraw/zinc/53/97/43/784539743.db2.gz RDILJSFBXPNPKU-HKUYNNGSSA-N 1 2 344.455 2.082 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCc3cc(C)ccc3O2)C1 ZINC001035444409 784539750 /nfs/dbraw/zinc/53/97/50/784539750.db2.gz RDILJSFBXPNPKU-HKUYNNGSSA-N 1 2 344.455 2.082 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C(C)C)nc2CC)C1 ZINC001035514439 784616517 /nfs/dbraw/zinc/61/65/17/784616517.db2.gz MXDSNBVDCYSTKT-OAHLLOKOSA-N 1 2 331.460 2.384 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(C(C)C)nc2CC)C1 ZINC001035514439 784616527 /nfs/dbraw/zinc/61/65/27/784616527.db2.gz MXDSNBVDCYSTKT-OAHLLOKOSA-N 1 2 331.460 2.384 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001035545217 784653423 /nfs/dbraw/zinc/65/34/23/784653423.db2.gz IBMYBZUJLOZEFZ-RHSMWYFYSA-N 1 2 330.428 2.017 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001035545217 784653426 /nfs/dbraw/zinc/65/34/26/784653426.db2.gz IBMYBZUJLOZEFZ-RHSMWYFYSA-N 1 2 330.428 2.017 20 30 EEEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)[nH]n1 ZINC000907451057 784655826 /nfs/dbraw/zinc/65/58/26/784655826.db2.gz PWDGZWMQQIUAAP-ICSRJNTNSA-N 1 2 349.438 2.357 20 30 EEEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)[nH]n1 ZINC000907451057 784655828 /nfs/dbraw/zinc/65/58/28/784655828.db2.gz PWDGZWMQQIUAAP-ICSRJNTNSA-N 1 2 349.438 2.357 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2OCC(C)C)C1 ZINC001035550465 784720540 /nfs/dbraw/zinc/72/05/40/784720540.db2.gz OILZSCYQPZMUKF-MRXNPFEDSA-N 1 2 332.444 2.338 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccccc2OCC(C)C)C1 ZINC001035550465 784720546 /nfs/dbraw/zinc/72/05/46/784720546.db2.gz OILZSCYQPZMUKF-MRXNPFEDSA-N 1 2 332.444 2.338 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3cccnc3s2)C1 ZINC001035565643 784745365 /nfs/dbraw/zinc/74/53/65/784745365.db2.gz YWXCGMJQJXVURD-AWEZNQCLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc3cccnc3s2)C1 ZINC001035565643 784745373 /nfs/dbraw/zinc/74/53/73/784745373.db2.gz YWXCGMJQJXVURD-AWEZNQCLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2C(F)(F)F)C1 ZINC001035591561 784802797 /nfs/dbraw/zinc/80/27/97/784802797.db2.gz KSNNUZLPTRBFPK-GFCCVEGCSA-N 1 2 328.334 2.322 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccccc2C(F)(F)F)C1 ZINC001035591561 784802808 /nfs/dbraw/zinc/80/28/08/784802808.db2.gz KSNNUZLPTRBFPK-GFCCVEGCSA-N 1 2 328.334 2.322 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCn3ccnc3C1)CC2 ZINC001035735394 785043798 /nfs/dbraw/zinc/04/37/98/785043798.db2.gz VDXIWNIZILYBIB-OAHLLOKOSA-N 1 2 348.878 2.122 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)CCC3CC3)CC2)C1 ZINC001105698778 785169763 /nfs/dbraw/zinc/16/97/63/785169763.db2.gz PZSRUPZVUBIKNA-UHFFFAOYSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCc3n[nH]cc3C1)CC2 ZINC001035835309 785255950 /nfs/dbraw/zinc/25/59/50/785255950.db2.gz WDDCRRNCROIWME-CQSZACIVSA-N 1 2 348.878 2.192 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nccc3ccccc32)[C@H](O)C1 ZINC001090529369 785666678 /nfs/dbraw/zinc/66/66/78/785666678.db2.gz SVRNXGVVSJXBQP-JKSUJKDBSA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nccc3ccccc32)[C@H](O)C1 ZINC001090529369 785666684 /nfs/dbraw/zinc/66/66/84/785666684.db2.gz SVRNXGVVSJXBQP-JKSUJKDBSA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CC=CCC3)nn2)C1 ZINC001107194637 786334474 /nfs/dbraw/zinc/33/44/74/786334474.db2.gz XZYVKXGSVUHDBA-OAHLLOKOSA-N 1 2 329.448 2.074 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)OC2(CC[NH+](Cc3ncccn3)CC2)C1 ZINC001111538579 786592437 /nfs/dbraw/zinc/59/24/37/786592437.db2.gz MJJPRDHRFQJOSN-INIZCTEOSA-N 1 2 344.459 2.025 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2=COCCC2)s1 ZINC001032308201 786811172 /nfs/dbraw/zinc/81/11/72/786811172.db2.gz BPLVOJVUOMZLNJ-KBPBESRZSA-N 1 2 329.425 2.099 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2=COCCC2)s1 ZINC001032308201 786811181 /nfs/dbraw/zinc/81/11/81/786811181.db2.gz BPLVOJVUOMZLNJ-KBPBESRZSA-N 1 2 329.425 2.099 20 30 EEEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnc(-c2ccccc2)o1 ZINC001032318808 787242260 /nfs/dbraw/zinc/24/22/60/787242260.db2.gz YYWLUPAOVDSXGQ-KBMXLJTQSA-N 1 2 336.395 2.286 20 30 EEEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnc(-c2ccccc2)o1 ZINC001032318808 787242265 /nfs/dbraw/zinc/24/22/65/787242265.db2.gz YYWLUPAOVDSXGQ-KBMXLJTQSA-N 1 2 336.395 2.286 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C12CCC2 ZINC001090609677 787285554 /nfs/dbraw/zinc/28/55/54/787285554.db2.gz SHYWCJXBGGRFEM-CABCVRRESA-N 1 2 330.432 2.217 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001062183697 787556122 /nfs/dbraw/zinc/55/61/22/787556122.db2.gz YOGJJWSQYVLIEI-RYRKJORJSA-N 1 2 344.459 2.051 20 30 EEEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001062243204 787685911 /nfs/dbraw/zinc/68/59/11/787685911.db2.gz KPBZQUDRCXDXMR-BZUAXINKSA-N 1 2 344.459 2.367 20 30 EEEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001062243204 787685918 /nfs/dbraw/zinc/68/59/18/787685918.db2.gz KPBZQUDRCXDXMR-BZUAXINKSA-N 1 2 344.459 2.367 20 30 EEEDLO CC#CCCCC(=O)N1CCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001062312482 787866240 /nfs/dbraw/zinc/86/62/40/787866240.db2.gz BNLHQPSGWBUGTD-QGZVFWFLSA-N 1 2 344.459 2.033 20 30 EEEDLO CC#CCCCC(=O)N1CCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001062312482 787866248 /nfs/dbraw/zinc/86/62/48/787866248.db2.gz BNLHQPSGWBUGTD-QGZVFWFLSA-N 1 2 344.459 2.033 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001079008946 787895756 /nfs/dbraw/zinc/89/57/56/787895756.db2.gz JVOUOOGOXKBUGO-INIZCTEOSA-N 1 2 346.475 2.158 20 30 EEEDLO CC(C)(F)C(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107683657 788054512 /nfs/dbraw/zinc/05/45/12/788054512.db2.gz RIWMWJKQONRDIA-SFHVURJKSA-N 1 2 333.407 2.013 20 30 EEEDLO CC(C)(F)C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107683657 788054518 /nfs/dbraw/zinc/05/45/18/788054518.db2.gz RIWMWJKQONRDIA-SFHVURJKSA-N 1 2 333.407 2.013 20 30 EEEDLO Cc1cccnc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032343384 788058899 /nfs/dbraw/zinc/05/88/99/788058899.db2.gz OYDVPAWZLWXMCR-ROUUACIJSA-N 1 2 332.407 2.361 20 30 EEEDLO Cc1cccnc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032343384 788058904 /nfs/dbraw/zinc/05/89/04/788058904.db2.gz OYDVPAWZLWXMCR-ROUUACIJSA-N 1 2 332.407 2.361 20 30 EEEDLO C=CC[C@@H]1CCCN(C(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000912390164 788154691 /nfs/dbraw/zinc/15/46/91/788154691.db2.gz XNVBPPODLIQTMX-QGZVFWFLSA-N 1 2 331.460 2.249 20 30 EEEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)cc1 ZINC000824913975 788346288 /nfs/dbraw/zinc/34/62/88/788346288.db2.gz KPOLEUKVHPEYMW-HOCLYGCPSA-N 1 2 336.457 2.377 20 30 EEEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)cc1 ZINC000824913975 788346296 /nfs/dbraw/zinc/34/62/96/788346296.db2.gz KPOLEUKVHPEYMW-HOCLYGCPSA-N 1 2 336.457 2.377 20 30 EEEDLO COC(=O)C1(C#N)CC[NH+](Cc2cn(C)nc2-c2cccs2)CC1 ZINC000824871751 788347318 /nfs/dbraw/zinc/34/73/18/788347318.db2.gz KMZWEOJGGVWRLD-UHFFFAOYSA-N 1 2 344.440 2.427 20 30 EEEDLO Cc1ccc(F)cc1C[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)C#N)C1 ZINC001107819184 788565129 /nfs/dbraw/zinc/56/51/29/788565129.db2.gz MHHSPVMWPAWXQF-KBXCAEBGSA-N 1 2 333.407 2.001 20 30 EEEDLO Cc1ccc(F)cc1C[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)C#N)C1 ZINC001107819184 788565133 /nfs/dbraw/zinc/56/51/33/788565133.db2.gz MHHSPVMWPAWXQF-KBXCAEBGSA-N 1 2 333.407 2.001 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c(F)cc(F)cc2F)C1 ZINC001108171428 788845393 /nfs/dbraw/zinc/84/53/93/788845393.db2.gz IHCRNPNIBCPEEN-INIZCTEOSA-N 1 2 328.334 2.111 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c(F)cc(F)cc2F)C1 ZINC001108171428 788845395 /nfs/dbraw/zinc/84/53/95/788845395.db2.gz IHCRNPNIBCPEEN-INIZCTEOSA-N 1 2 328.334 2.111 20 30 EEEDLO CCOC1CC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)C1 ZINC001032386082 788928402 /nfs/dbraw/zinc/92/84/02/788928402.db2.gz QXZPDMUVULJDOF-YBXZHIRMSA-N 1 2 339.439 2.158 20 30 EEEDLO CCOC1CC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)C1 ZINC001032386082 788928411 /nfs/dbraw/zinc/92/84/11/788928411.db2.gz QXZPDMUVULJDOF-YBXZHIRMSA-N 1 2 339.439 2.158 20 30 EEEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC2(F)F)cc1C#N ZINC001032391551 789005797 /nfs/dbraw/zinc/00/57/97/789005797.db2.gz CZCXRIJFCQPSNB-SOUVJXGZSA-N 1 2 347.365 2.007 20 30 EEEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC2(F)F)cc1C#N ZINC001032391551 789005802 /nfs/dbraw/zinc/00/58/02/789005802.db2.gz CZCXRIJFCQPSNB-SOUVJXGZSA-N 1 2 347.365 2.007 20 30 EEEDLO COc1cccc([C@@H](C#N)NC(=O)C[C@H](C)n2cc[nH+]c2)c1OC ZINC000844460790 789135365 /nfs/dbraw/zinc/13/53/65/789135365.db2.gz AZVPXHUOUCSRHD-GXTWGEPZSA-N 1 2 328.372 2.232 20 30 EEEDLO N#Cc1ccc(CN2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)nc1 ZINC001144157492 789305887 /nfs/dbraw/zinc/30/58/87/789305887.db2.gz LBZFEZCPYVEJEA-QGZVFWFLSA-N 1 2 337.427 2.208 20 30 EEEDLO Cc1oc(NC(=O)COC(=O)C[C@H](C)n2cc[nH+]c2)c(C#N)c1C ZINC000845277794 789705069 /nfs/dbraw/zinc/70/50/69/789705069.db2.gz JLLBFJXWSNEKAS-JTQLQIEISA-N 1 2 330.344 2.098 20 30 EEEDLO C=CC[C@H](C(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001105862424 789884348 /nfs/dbraw/zinc/88/43/48/789884348.db2.gz AKLZZHSKDLASOO-IRXDYDNUSA-N 1 2 340.427 2.034 20 30 EEEDLO C#Cc1ccc(C[N@H+]2Cc3nccn3C[C@@H](CN3CCCC3=O)C2)cc1 ZINC001144568989 789949305 /nfs/dbraw/zinc/94/93/05/789949305.db2.gz IHSJCXPCKVCCJW-IBGZPJMESA-N 1 2 348.450 2.119 20 30 EEEDLO C#Cc1ccc(C[N@@H+]2Cc3nccn3C[C@@H](CN3CCCC3=O)C2)cc1 ZINC001144568989 789949309 /nfs/dbraw/zinc/94/93/09/789949309.db2.gz IHSJCXPCKVCCJW-IBGZPJMESA-N 1 2 348.450 2.119 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NC3CN(Cc4ccccc4C#N)C3)ccn12 ZINC001030313407 790025344 /nfs/dbraw/zinc/02/53/44/790025344.db2.gz ZZWICFKVOCLXKY-UHFFFAOYSA-N 1 2 345.406 2.129 20 30 EEEDLO CC[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001149207478 790064452 /nfs/dbraw/zinc/06/44/52/790064452.db2.gz OAABCEVXYVCHLH-WMLDXEAASA-N 1 2 347.434 2.451 20 30 EEEDLO CC[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001149207478 790064458 /nfs/dbraw/zinc/06/44/58/790064458.db2.gz OAABCEVXYVCHLH-WMLDXEAASA-N 1 2 347.434 2.451 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001060331552 790146293 /nfs/dbraw/zinc/14/62/93/790146293.db2.gz UOMJBYGICDXFCF-LPHOPBHVSA-N 1 2 346.475 2.230 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001060864487 790163470 /nfs/dbraw/zinc/16/34/70/790163470.db2.gz RIAHJUYBEDVAHB-SHTZXODSSA-N 1 2 344.459 2.100 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(=O)N1CCCCCC1 ZINC001032560707 791349439 /nfs/dbraw/zinc/34/94/39/791349439.db2.gz PSHJHPOQBUWOST-IKGGRYGDSA-N 1 2 347.503 2.275 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(=O)N1CCCCCC1 ZINC001032560707 791349441 /nfs/dbraw/zinc/34/94/41/791349441.db2.gz PSHJHPOQBUWOST-IKGGRYGDSA-N 1 2 347.503 2.275 20 30 EEEDLO C=CCC1(C(=O)NCC2(NC(=O)Cc3[nH]cc[nH+]3)CCC2)CCCC1 ZINC001063590294 791376983 /nfs/dbraw/zinc/37/69/83/791376983.db2.gz DGWRMGZAMKWLGC-UHFFFAOYSA-N 1 2 344.459 2.244 20 30 EEEDLO C=CCCOCC(=O)NCCC1(C[NH2+]CC(F)(F)C(F)F)CC1 ZINC001168419041 791396462 /nfs/dbraw/zinc/39/64/62/791396462.db2.gz NAHOJQNWLWAWCW-UHFFFAOYSA-N 1 2 340.361 2.356 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2Cc3cc(F)ccc3O2)[C@H]1C ZINC001088893498 791423744 /nfs/dbraw/zinc/42/37/44/791423744.db2.gz DUTFPCRRQDXMCG-DIOULYMOSA-N 1 2 338.810 2.461 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2Cc3cc(F)ccc3O2)[C@H]1C ZINC001088893498 791423749 /nfs/dbraw/zinc/42/37/49/791423749.db2.gz DUTFPCRRQDXMCG-DIOULYMOSA-N 1 2 338.810 2.461 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@@H](CC)C(C)(C)C)C2)nn1 ZINC001098767322 791721894 /nfs/dbraw/zinc/72/18/94/791721894.db2.gz LCTPJDREKRHTEC-WBVHZDCISA-N 1 2 345.491 2.237 20 30 EEEDLO CCOCCC(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147182188 791748555 /nfs/dbraw/zinc/74/85/55/791748555.db2.gz QCIUCXFEJAIAQG-UHFFFAOYSA-N 1 2 345.418 2.158 20 30 EEEDLO CCOCCC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147182188 791748557 /nfs/dbraw/zinc/74/85/57/791748557.db2.gz QCIUCXFEJAIAQG-UHFFFAOYSA-N 1 2 345.418 2.158 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)CCC(C)(C)C)C2)nn1 ZINC001098768434 791773638 /nfs/dbraw/zinc/77/36/38/791773638.db2.gz TWHNZEMNKNANSE-NVXWUHKLSA-N 1 2 345.491 2.237 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(CC)o1)C2 ZINC001147374948 791805165 /nfs/dbraw/zinc/80/51/65/791805165.db2.gz XPERFZWWMJJMCQ-UHFFFAOYSA-N 1 2 329.444 2.465 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(CC)o1)C2 ZINC001147374948 791805168 /nfs/dbraw/zinc/80/51/68/791805168.db2.gz XPERFZWWMJJMCQ-UHFFFAOYSA-N 1 2 329.444 2.465 20 30 EEEDLO Cc1nc(N[C@@H](C)[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)cc[nH+]1 ZINC001063882577 791879709 /nfs/dbraw/zinc/87/97/09/791879709.db2.gz IXQNICGQUAPZAA-WFASDCNBSA-N 1 2 338.415 2.338 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)nc3cc(C)nn32)[C@H]1C ZINC001089048612 791985456 /nfs/dbraw/zinc/98/54/56/791985456.db2.gz VTDADUKYEHKLMV-KGLIPLIRSA-N 1 2 347.850 2.291 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)nc3cc(C)nn32)[C@H]1C ZINC001089048612 791985463 /nfs/dbraw/zinc/98/54/63/791985463.db2.gz VTDADUKYEHKLMV-KGLIPLIRSA-N 1 2 347.850 2.291 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001032619858 792439235 /nfs/dbraw/zinc/43/92/35/792439235.db2.gz IYUMZFDZNCKTRB-BYNSBNAKSA-N 1 2 330.378 2.377 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001032619858 792439241 /nfs/dbraw/zinc/43/92/41/792439241.db2.gz IYUMZFDZNCKTRB-BYNSBNAKSA-N 1 2 330.378 2.377 20 30 EEEDLO C=C1CCC(C(=O)NCC2(NC(=O)CCn3cc[nH+]c3)CCC2)CC1 ZINC001064393358 793017476 /nfs/dbraw/zinc/01/74/76/793017476.db2.gz PTDMPBMQDRTSLE-UHFFFAOYSA-N 1 2 344.459 2.175 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1CC ZINC001091772981 793244542 /nfs/dbraw/zinc/24/45/42/793244542.db2.gz CFPACRSKUJURMT-FCEWJHQRSA-N 1 2 346.475 2.202 20 30 EEEDLO Cc1nc(N2CCC[C@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)c(C)c(C)[nH+]1 ZINC001064557572 793345622 /nfs/dbraw/zinc/34/56/22/793345622.db2.gz MWHFHMMTRNTVRG-YJYMSZOUSA-N 1 2 341.459 2.380 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CCCCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091920150 793408461 /nfs/dbraw/zinc/40/84/61/793408461.db2.gz NKUAFYOIJOKTRB-ZBFHGGJFSA-N 1 2 330.432 2.006 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@@H]1C ZINC001092041675 793498240 /nfs/dbraw/zinc/49/82/40/793498240.db2.gz AVMBDQZILFTQCX-IAISJRAMSA-N 1 2 342.447 2.049 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092084146 793551744 /nfs/dbraw/zinc/55/17/44/793551744.db2.gz OCUHEWVTALRMHL-MRXNPFEDSA-N 1 2 346.475 2.489 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1O ZINC001092171951 793635403 /nfs/dbraw/zinc/63/54/03/793635403.db2.gz BEZDVKXIVHHRST-HOTGVXAUSA-N 1 2 344.459 2.075 20 30 EEEDLO C=CCOCC(=O)NCC1CC(Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001092195017 793659504 /nfs/dbraw/zinc/65/95/04/793659504.db2.gz ZSASTLQAJSAUGD-UHFFFAOYSA-N 1 2 332.448 2.418 20 30 EEEDLO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C#CC2CC2)C1)c1nc(C(C)(C)C)no1 ZINC000999116708 793829383 /nfs/dbraw/zinc/82/93/83/793829383.db2.gz IKWOIPVEDVHWGL-UKRRQHHQSA-N 1 2 344.459 2.422 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1oc(C)cc1C)c1nccn12 ZINC001092357380 793830107 /nfs/dbraw/zinc/83/01/07/793830107.db2.gz SKTVHAHYVFNKKE-AWEZNQCLSA-N 1 2 326.400 2.165 20 30 EEEDLO C#CCCCCC(=O)N[C@@H](C)C[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001089267494 793854708 /nfs/dbraw/zinc/85/47/08/793854708.db2.gz IKPVHRXBQFYQGJ-UONOGXRCSA-N 1 2 346.479 2.135 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3ncccc3o1)c1nccn12 ZINC001092381845 793876806 /nfs/dbraw/zinc/87/68/06/793876806.db2.gz ZZTGVKMHEHTWLI-CQSZACIVSA-N 1 2 349.394 2.096 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(F)ccc1C)c1nccn12 ZINC001092385695 793880684 /nfs/dbraw/zinc/88/06/84/793880684.db2.gz WKPWNFFBAFATSP-MRXNPFEDSA-N 1 2 340.402 2.402 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1CC(C)C)c1nccn12 ZINC001092396609 793895923 /nfs/dbraw/zinc/89/59/23/793895923.db2.gz JMLPCIMDRREFMK-BZUAXINKSA-N 1 2 328.460 2.323 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)cc(F)c1)c1nccn12 ZINC001092397334 793897007 /nfs/dbraw/zinc/89/70/07/793897007.db2.gz UINSDCBGAMFVRX-INIZCTEOSA-N 1 2 340.402 2.402 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC13CC3)c1nccn12 ZINC001092374503 793917494 /nfs/dbraw/zinc/91/74/94/793917494.db2.gz CCKLWYIWWWSOPR-HUUCEWRRSA-N 1 2 326.444 2.221 20 30 EEEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1CNc1cccc(F)c1C#N ZINC001064932609 793987216 /nfs/dbraw/zinc/98/72/16/793987216.db2.gz OTBIXOOEJWHTNH-ZDUSSCGKSA-N 1 2 341.390 2.076 20 30 EEEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)CCCCC(C)C)CC2 ZINC001128059454 794118086 /nfs/dbraw/zinc/11/80/86/794118086.db2.gz OGHCJYOJRARYND-INIZCTEOSA-N 1 2 345.491 2.038 20 30 EEEDLO C=C1CC(C)(C(=O)NC2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC000999276908 794198071 /nfs/dbraw/zinc/19/80/71/794198071.db2.gz AAPYUEKBYJQRSO-UHFFFAOYSA-N 1 2 327.428 2.304 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)nc1OCCC ZINC001032708697 794208882 /nfs/dbraw/zinc/20/88/82/794208882.db2.gz YFCYSCMGWWJJAO-HOTGVXAUSA-N 1 2 327.428 2.101 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)nc1OCCC ZINC001032708697 794208888 /nfs/dbraw/zinc/20/88/88/794208888.db2.gz YFCYSCMGWWJJAO-HOTGVXAUSA-N 1 2 327.428 2.101 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cn(C)nn1 ZINC001099171399 794514823 /nfs/dbraw/zinc/51/48/23/794514823.db2.gz PNXLLKABPRTOER-HNNXBMFYSA-N 1 2 333.480 2.134 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cn(C)nn1 ZINC001099171399 794514829 /nfs/dbraw/zinc/51/48/29/794514829.db2.gz PNXLLKABPRTOER-HNNXBMFYSA-N 1 2 333.480 2.134 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](CNc1[nH+]cnc2c1cnn2C)C1CC1 ZINC001109992098 806344048 /nfs/dbraw/zinc/34/40/48/806344048.db2.gz ZOWLZRNKPJXYJY-AWEZNQCLSA-N 1 2 342.447 2.272 20 30 EEEDLO C[C@@H]1C[N@H+](CC=C(Cl)Cl)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079589312 794990281 /nfs/dbraw/zinc/99/02/81/794990281.db2.gz CVZHDHUJHIQVEM-BXKDBHETSA-N 1 2 327.215 2.255 20 30 EEEDLO C[C@@H]1C[N@@H+](CC=C(Cl)Cl)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079589312 794990291 /nfs/dbraw/zinc/99/02/91/794990291.db2.gz CVZHDHUJHIQVEM-BXKDBHETSA-N 1 2 327.215 2.255 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncnc3sccc32)C1 ZINC001079728089 795142319 /nfs/dbraw/zinc/14/23/19/795142319.db2.gz XSMBBLLILMCUAR-BXKDBHETSA-N 1 2 336.848 2.494 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ncnc3sccc32)C1 ZINC001079728089 795142320 /nfs/dbraw/zinc/14/23/20/795142320.db2.gz XSMBBLLILMCUAR-BXKDBHETSA-N 1 2 336.848 2.494 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC[NH2+]Cc1nc(CC(F)(F)F)no1 ZINC001128088193 795265157 /nfs/dbraw/zinc/26/51/57/795265157.db2.gz QLOCMTQSULOUEP-UHFFFAOYSA-N 1 2 346.353 2.149 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCCO[C@H]3CC)CC2)C1 ZINC001093541124 795347833 /nfs/dbraw/zinc/34/78/33/795347833.db2.gz DMXBMKRPPXNIJN-MSOLQXFVSA-N 1 2 336.476 2.069 20 30 EEEDLO C#Cc1ccc(C(=O)NCCC2(CNc3cc[nH+]c(C)n3)CC2)cn1 ZINC001089950407 795380632 /nfs/dbraw/zinc/38/06/32/795380632.db2.gz KOFHFWYYOWDOMY-UHFFFAOYSA-N 1 2 335.411 2.174 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](C)[C@H]3CCCO3)CC2)C1 ZINC001093571424 795382223 /nfs/dbraw/zinc/38/22/23/795382223.db2.gz SMBYGSTYVYOLPP-MAUKXSAKSA-N 1 2 336.476 2.069 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3ccccc3n2)C1 ZINC001079970981 795455493 /nfs/dbraw/zinc/45/54/93/795455493.db2.gz ZDNUQNAMFFHTGS-IUODEOHRSA-N 1 2 332.835 2.066 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3ccccc3n2)C1 ZINC001079970981 795455496 /nfs/dbraw/zinc/45/54/96/795455496.db2.gz ZDNUQNAMFFHTGS-IUODEOHRSA-N 1 2 332.835 2.066 20 30 EEEDLO C=CCC1(C(=O)NCCNc2[nH+]cnc3c2cnn3C)CCCCC1 ZINC001093664266 795524775 /nfs/dbraw/zinc/52/47/75/795524775.db2.gz WNEZHVFAJGTONP-UHFFFAOYSA-N 1 2 342.447 2.418 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H](C)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106455644 795620147 /nfs/dbraw/zinc/62/01/47/795620147.db2.gz CWTJUBYFPJERSX-CQSZACIVSA-N 1 2 345.491 2.374 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H](C)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106455644 795620150 /nfs/dbraw/zinc/62/01/50/795620150.db2.gz CWTJUBYFPJERSX-CQSZACIVSA-N 1 2 345.491 2.374 20 30 EEEDLO C[C@@H](CCNc1cccc(F)c1C#N)NC(=O)CCn1cc[nH+]c1 ZINC001106520942 795765116 /nfs/dbraw/zinc/76/51/16/795765116.db2.gz RJIYAMBWAXLNCZ-ZDUSSCGKSA-N 1 2 329.379 2.291 20 30 EEEDLO C=CCCC1(C(=O)NCC[C@H](C)NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001078218067 796095027 /nfs/dbraw/zinc/09/50/27/796095027.db2.gz TUTWCOFXQZKISY-HNNXBMFYSA-N 1 2 346.475 2.110 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCC(C)=C(C)C3)nn2)C1 ZINC001094292958 796095777 /nfs/dbraw/zinc/09/57/77/796095777.db2.gz PENURVVOOCUFRY-MRXNPFEDSA-N 1 2 343.475 2.464 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3CCC=CCCC3)nn2)C1 ZINC001094297884 796097708 /nfs/dbraw/zinc/09/77/08/796097708.db2.gz DRMYRSIVLJOUNE-INIZCTEOSA-N 1 2 343.475 2.464 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001078221709 796100754 /nfs/dbraw/zinc/10/07/54/796100754.db2.gz GEWBRLRBZUKAFS-MAUKXSAKSA-N 1 2 334.464 2.277 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](Nc4cc[nH+]c(C)n4)[C@@H]3C2)cn1 ZINC001060537441 796112379 /nfs/dbraw/zinc/11/23/79/796112379.db2.gz KXJPUOGWDIOAMJ-JQHSSLGASA-N 1 2 347.422 2.124 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3ccoc3C(C)C)nn2)C1 ZINC001094339780 796114153 /nfs/dbraw/zinc/11/41/53/796114153.db2.gz XOJSKXXAERFEER-UHFFFAOYSA-N 1 2 343.431 2.357 20 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/nfs/dbraw/zinc/79/86/95/796798695.db2.gz KSIAYEURVSJXCQ-BEFAXECRSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1nnccc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000993546970 796798701 /nfs/dbraw/zinc/79/87/01/796798701.db2.gz KSIAYEURVSJXCQ-BEFAXECRSA-N 1 2 349.438 2.440 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001054059887 796994093 /nfs/dbraw/zinc/99/40/93/796994093.db2.gz ADSYIDUGCDQSRI-GLNRLIEQSA-N 1 2 334.463 2.455 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001054059887 796994098 /nfs/dbraw/zinc/99/40/98/796994098.db2.gz ADSYIDUGCDQSRI-GLNRLIEQSA-N 1 2 334.463 2.455 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001061016863 797091427 /nfs/dbraw/zinc/09/14/27/797091427.db2.gz BJKBOKBYLAEZMV-HNNXBMFYSA-N 1 2 325.416 2.347 20 30 EEEDLO C=C1CCC(C(=O)NCC2CC[NH+](Cc3cnn(CC)n3)CC2)CC1 ZINC001001796171 797204922 /nfs/dbraw/zinc/20/49/22/797204922.db2.gz CZGJGCHSOJQPDL-UHFFFAOYSA-N 1 2 345.491 2.373 20 30 EEEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2ncsc2C1 ZINC001173136563 797242148 /nfs/dbraw/zinc/24/21/48/797242148.db2.gz RABDDYQHTWSWPY-GOEBONIOSA-N 1 2 341.436 2.246 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cccnn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000994057580 797266474 /nfs/dbraw/zinc/26/64/74/797266474.db2.gz JBMGFUPKLUBLFO-WMLDXEAASA-N 1 2 335.411 2.131 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cccnn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000994057580 797266476 /nfs/dbraw/zinc/26/64/76/797266476.db2.gz JBMGFUPKLUBLFO-WMLDXEAASA-N 1 2 335.411 2.131 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001082237429 797338578 /nfs/dbraw/zinc/33/85/78/797338578.db2.gz QUTRVSYOZQBMOB-CVEARBPZSA-N 1 2 346.475 2.360 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H](N(C)c3cc[nH+]c(C)n3)C2)CCOCC1 ZINC001095127047 797401964 /nfs/dbraw/zinc/40/19/64/797401964.db2.gz AKDHNXLWXXHWRD-INIZCTEOSA-N 1 2 344.459 2.195 20 30 EEEDLO C#CC[C@H]([NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)OC ZINC001173416416 797417732 /nfs/dbraw/zinc/41/77/32/797417732.db2.gz YQUCFZQIPDBCMJ-INIZCTEOSA-N 1 2 348.830 2.099 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001095194200 797504941 /nfs/dbraw/zinc/50/49/41/797504941.db2.gz XSEBIAUUSWTQCT-UHFFFAOYSA-N 1 2 342.447 2.004 20 30 EEEDLO C#Cc1ccccc1CC(=O)NCCC[NH2+]CC(F)(F)C(F)F ZINC001174674414 797828336 /nfs/dbraw/zinc/82/83/36/797828336.db2.gz UPNLSAMOKWVZJR-UHFFFAOYSA-N 1 2 330.325 2.207 20 30 EEEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3oc4ccccc4c3OC)[C@H]2C1 ZINC001083162545 797903494 /nfs/dbraw/zinc/90/34/94/797903494.db2.gz ZFSJXXWUKMPZCR-GOEBONIOSA-N 1 2 342.395 2.153 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3oc4ccccc4c3OC)[C@H]2C1 ZINC001083162545 797903497 /nfs/dbraw/zinc/90/34/97/797903497.db2.gz ZFSJXXWUKMPZCR-GOEBONIOSA-N 1 2 342.395 2.153 20 30 EEEDLO CS[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084196520 798047835 /nfs/dbraw/zinc/04/78/35/798047835.db2.gz MAWZEUXEMGDVDY-SUYBPPKGSA-N 1 2 347.459 2.482 20 30 EEEDLO CS[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084196520 798047841 /nfs/dbraw/zinc/04/78/41/798047841.db2.gz MAWZEUXEMGDVDY-SUYBPPKGSA-N 1 2 347.459 2.482 20 30 EEEDLO C=CC[N@@H+](Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1C)C(C)C ZINC000917167930 798125543 /nfs/dbraw/zinc/12/55/43/798125543.db2.gz JANRYJSHYSKMFU-UHFFFAOYSA-N 1 2 333.436 2.032 20 30 EEEDLO C=CC[N@H+](Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1C)C(C)C ZINC000917167930 798125546 /nfs/dbraw/zinc/12/55/46/798125546.db2.gz JANRYJSHYSKMFU-UHFFFAOYSA-N 1 2 333.436 2.032 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC4(F)F)[C@@H]3C2)c1 ZINC001084328777 798150565 /nfs/dbraw/zinc/15/05/65/798150565.db2.gz FHUWZSAMECZKFH-IVMMDQJWSA-N 1 2 349.356 2.385 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC4(F)F)[C@@H]3C2)c1 ZINC001084328777 798150568 /nfs/dbraw/zinc/15/05/68/798150568.db2.gz FHUWZSAMECZKFH-IVMMDQJWSA-N 1 2 349.356 2.385 20 30 EEEDLO O=C(C(F)C(F)(F)F)N1C[C@H]2CC[N@H+](CCC(F)(F)F)C[C@H]21 ZINC001084360878 798166286 /nfs/dbraw/zinc/16/62/86/798166286.db2.gz RVGWRPIEWRWCQQ-IWSPIJDZSA-N 1 2 336.251 2.372 20 30 EEEDLO O=C(C(F)C(F)(F)F)N1C[C@H]2CC[N@@H+](CCC(F)(F)F)C[C@H]21 ZINC001084360878 798166288 /nfs/dbraw/zinc/16/62/88/798166288.db2.gz RVGWRPIEWRWCQQ-IWSPIJDZSA-N 1 2 336.251 2.372 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4cc[nH]c4n3)[C@@H]2C1 ZINC001084426222 798187758 /nfs/dbraw/zinc/18/77/58/798187758.db2.gz UUGODVGFMNDMQZ-UKRRQHHQSA-N 1 2 330.819 2.462 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4cc[nH]c4n3)[C@@H]2C1 ZINC001084426222 798187760 /nfs/dbraw/zinc/18/77/60/798187760.db2.gz UUGODVGFMNDMQZ-UKRRQHHQSA-N 1 2 330.819 2.462 20 30 EEEDLO Nc1ccccc1C(NO)=[NH+]c1ccc(OC2CCOCC2)nc1 ZINC001175728615 798207164 /nfs/dbraw/zinc/20/71/64/798207164.db2.gz FTPYUNJXMWJKHR-UHFFFAOYSA-N 1 2 328.372 2.279 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4[nH]ccc4n3)[C@@H]2C1 ZINC001084516904 798250105 /nfs/dbraw/zinc/25/01/05/798250105.db2.gz ODDWUDYNJCLWNZ-MLGOLLRUSA-N 1 2 330.819 2.462 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4[nH]ccc4n3)[C@@H]2C1 ZINC001084516904 798250109 /nfs/dbraw/zinc/25/01/09/798250109.db2.gz ODDWUDYNJCLWNZ-MLGOLLRUSA-N 1 2 330.819 2.462 20 30 EEEDLO Cc1nc(C[NH+]2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)cs1 ZINC001002544241 798254688 /nfs/dbraw/zinc/25/46/88/798254688.db2.gz GRBJVXHWWRMJNF-UHFFFAOYSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1nsc(N[C@H]2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1C#N ZINC001061107441 798293384 /nfs/dbraw/zinc/29/33/84/798293384.db2.gz LDIYQGIXOSGJSU-RYUDHWBXSA-N 1 2 344.444 2.128 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4cccnn43)[C@@H]2C1 ZINC001084706834 798391657 /nfs/dbraw/zinc/39/16/57/798391657.db2.gz OLPWXGHCYJPSJR-CZUORRHYSA-N 1 2 330.819 2.233 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4cccnn43)[C@@H]2C1 ZINC001084706834 798391664 /nfs/dbraw/zinc/39/16/64/798391664.db2.gz OLPWXGHCYJPSJR-CZUORRHYSA-N 1 2 330.819 2.233 20 30 EEEDLO C=CCCC(=O)NCC1(Nc2[nH+]c(C)nc(-n3cccn3)c2C)CC1 ZINC001110080286 806661520 /nfs/dbraw/zinc/66/15/20/806661520.db2.gz VEKMXCOQTQMKIT-UHFFFAOYSA-N 1 2 340.431 2.306 20 30 EEEDLO C=CCOCC(=O)NCc1cnn2c1C[N@H+](CCCC1CCC1)CC2 ZINC001128259833 798576095 /nfs/dbraw/zinc/57/60/95/798576095.db2.gz VJXUBZNCEORYAS-UHFFFAOYSA-N 1 2 346.475 2.098 20 30 EEEDLO C=CCOCC(=O)NCc1cnn2c1C[N@@H+](CCCC1CCC1)CC2 ZINC001128259833 798576097 /nfs/dbraw/zinc/57/60/97/798576097.db2.gz VJXUBZNCEORYAS-UHFFFAOYSA-N 1 2 346.475 2.098 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)CC(C)(C)C=C)C[C@H]21 ZINC001177018313 798698091 /nfs/dbraw/zinc/69/80/91/798698091.db2.gz CTOUPRUMISBMAX-SJORKVTESA-N 1 2 336.476 2.093 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC(C)(C)C=C)C[C@H]21 ZINC001177018313 798698093 /nfs/dbraw/zinc/69/80/93/798698093.db2.gz CTOUPRUMISBMAX-SJORKVTESA-N 1 2 336.476 2.093 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@@H+](CCOCC(C)C)[C@H]2C1 ZINC001177062315 798722841 /nfs/dbraw/zinc/72/28/41/798722841.db2.gz WAAWZRVFVPCKMC-IRXDYDNUSA-N 1 2 338.492 2.173 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCC[N@H+](CCOCC(C)C)[C@H]2C1 ZINC001177062315 798722844 /nfs/dbraw/zinc/72/28/44/798722844.db2.gz WAAWZRVFVPCKMC-IRXDYDNUSA-N 1 2 338.492 2.173 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CC(F)(F)C(F)F)C[C@@H]21 ZINC001177094022 798745711 /nfs/dbraw/zinc/74/57/11/798745711.db2.gz IHNRNSAUAJQWDF-NWDGAFQWSA-N 1 2 338.345 2.155 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CC(F)(F)C(F)F)C[C@@H]21 ZINC001177094022 798745712 /nfs/dbraw/zinc/74/57/12/798745712.db2.gz IHNRNSAUAJQWDF-NWDGAFQWSA-N 1 2 338.345 2.155 20 30 EEEDLO C[C@H](CNc1ncc(C#N)cc1F)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001108196714 799260672 /nfs/dbraw/zinc/26/06/72/799260672.db2.gz UPGOPOANLSDYQM-SNVBAGLBSA-N 1 2 338.346 2.199 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)C3CCC3)C2)CC1 ZINC001065677068 799327933 /nfs/dbraw/zinc/32/79/33/799327933.db2.gz OBSXWOMBHDMTOQ-KRWDZBQOSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC3CC3)C2)CC1 ZINC001065679992 799333820 /nfs/dbraw/zinc/33/38/20/799333820.db2.gz DREBHVXDKQMOQA-QGZVFWFLSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CCC(=C)C)CC2)C1 ZINC001065707462 799357982 /nfs/dbraw/zinc/35/79/82/799357982.db2.gz UUDSKRMYTYNMOK-GOSISDBHSA-N 1 2 347.503 2.444 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001003206656 799366711 /nfs/dbraw/zinc/36/67/11/799366711.db2.gz MTZGZSJXHJJKJP-IBGZPJMESA-N 1 2 340.427 2.125 20 30 EEEDLO C=C(C)CCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C(C)=C/C)C2)CC1 ZINC001065699459 799386197 /nfs/dbraw/zinc/38/61/97/799386197.db2.gz MIQVKNYJADZZMP-RPDKKYPRSA-N 1 2 333.476 2.054 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC001065710566 799406519 /nfs/dbraw/zinc/40/65/19/799406519.db2.gz ABWSSAVRTSUDQX-SJLPKXTDSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H](C=C)CC)C2)CC1 ZINC001065710616 799406708 /nfs/dbraw/zinc/40/67/08/799406708.db2.gz AZUADWHOKYEOBY-ZWKOTPCHSA-N 1 2 347.503 2.300 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCc1cnn2c1C[N@H+](C[C@@H](CC)OC)CC2 ZINC001128431235 799465712 /nfs/dbraw/zinc/46/57/12/799465712.db2.gz DCFRVNCBKIQZQZ-MRXNPFEDSA-N 1 2 348.491 2.342 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCc1cnn2c1C[N@@H+](C[C@@H](CC)OC)CC2 ZINC001128431235 799465716 /nfs/dbraw/zinc/46/57/16/799465716.db2.gz DCFRVNCBKIQZQZ-MRXNPFEDSA-N 1 2 348.491 2.342 20 30 EEEDLO C[C@@H](Nc1cccc(F)c1C#N)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001065781579 799538730 /nfs/dbraw/zinc/53/87/30/799538730.db2.gz YRMIELDESJNQEJ-OLZOCXBDSA-N 1 2 341.390 2.312 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccc3cccnc32)C1 ZINC001108056120 799669239 /nfs/dbraw/zinc/66/92/39/799669239.db2.gz XOYKJLNKWPGOMW-HXUWFJFHSA-N 1 2 337.423 2.079 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccc3cccnc32)C1 ZINC001108056120 799669241 /nfs/dbraw/zinc/66/92/41/799669241.db2.gz XOYKJLNKWPGOMW-HXUWFJFHSA-N 1 2 337.423 2.079 20 30 EEEDLO C=CCCCC(=O)NCc1cnn2c1C[N@H+](C[C@H](CC)OC)CC2 ZINC001128463340 799676177 /nfs/dbraw/zinc/67/61/77/799676177.db2.gz HEGPIANFBPHQPM-INIZCTEOSA-N 1 2 334.464 2.096 20 30 EEEDLO C=CCCCC(=O)NCc1cnn2c1C[N@@H+](C[C@H](CC)OC)CC2 ZINC001128463340 799676181 /nfs/dbraw/zinc/67/61/81/799676181.db2.gz HEGPIANFBPHQPM-INIZCTEOSA-N 1 2 334.464 2.096 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C[C@H](C)C(F)(F)F)c2C1 ZINC001128467398 799744034 /nfs/dbraw/zinc/74/40/34/799744034.db2.gz SYSQMYWHIRKPPJ-LBPRGKRZSA-N 1 2 344.381 2.480 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C[C@H](C)C(F)(F)F)c2C1 ZINC001128467398 799744037 /nfs/dbraw/zinc/74/40/37/799744037.db2.gz SYSQMYWHIRKPPJ-LBPRGKRZSA-N 1 2 344.381 2.480 20 30 EEEDLO C=C1CCC(C(=O)NC2CC[NH+]([C@H](C)c3nncn3C)CC2)CC1 ZINC001003562480 799827568 /nfs/dbraw/zinc/82/75/68/799827568.db2.gz ZFKUBZXYQRZPRA-CQSZACIVSA-N 1 2 331.464 2.203 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCc1cnn2c1C[N@H+](CCC[C@H](C)O)CC2 ZINC001128481136 800096467 /nfs/dbraw/zinc/09/64/67/800096467.db2.gz KOHATQOSSJUSEL-KXBFYZLASA-N 1 2 348.491 2.078 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCc1cnn2c1C[N@@H+](CCC[C@H](C)O)CC2 ZINC001128481136 800096474 /nfs/dbraw/zinc/09/64/74/800096474.db2.gz KOHATQOSSJUSEL-KXBFYZLASA-N 1 2 348.491 2.078 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC001179896551 800144124 /nfs/dbraw/zinc/14/41/24/800144124.db2.gz PUNWICASNYZBSS-CQSZACIVSA-N 1 2 331.391 2.092 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC001179901867 800158057 /nfs/dbraw/zinc/15/80/57/800158057.db2.gz RNGCEPFDOJWEJG-FZMZJTMJSA-N 1 2 336.233 2.299 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC001179901867 800158063 /nfs/dbraw/zinc/15/80/63/800158063.db2.gz RNGCEPFDOJWEJG-FZMZJTMJSA-N 1 2 336.233 2.299 20 30 EEEDLO CN(C(=O)c1cccnc1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032864298 800181016 /nfs/dbraw/zinc/18/10/16/800181016.db2.gz KMKPFSDHZCIHIM-QGZVFWFLSA-N 1 2 338.386 2.439 20 30 EEEDLO CN(C(=O)c1cccnc1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032864298 800181020 /nfs/dbraw/zinc/18/10/20/800181020.db2.gz KMKPFSDHZCIHIM-QGZVFWFLSA-N 1 2 338.386 2.439 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066225956 800212576 /nfs/dbraw/zinc/21/25/76/800212576.db2.gz MQMFBXFACPWGSU-BZUAXINKSA-N 1 2 344.459 2.367 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066225956 800212578 /nfs/dbraw/zinc/21/25/78/800212578.db2.gz MQMFBXFACPWGSU-BZUAXINKSA-N 1 2 344.459 2.367 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)no1 ZINC001032891562 800280676 /nfs/dbraw/zinc/28/06/76/800280676.db2.gz QAGGFFXMFPSHKT-OAHLLOKOSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)no1 ZINC001032891562 800280679 /nfs/dbraw/zinc/28/06/79/800280679.db2.gz QAGGFFXMFPSHKT-OAHLLOKOSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1ocnc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032948986 800486701 /nfs/dbraw/zinc/48/67/01/800486701.db2.gz QMMQSLJEFVUVFB-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1ocnc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032948986 800486705 /nfs/dbraw/zinc/48/67/05/800486705.db2.gz QMMQSLJEFVUVFB-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1C ZINC001032962959 800567848 /nfs/dbraw/zinc/56/78/48/800567848.db2.gz BOAXGATWOUFSCT-QGZVFWFLSA-N 1 2 337.427 2.245 20 30 EEEDLO Cc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1C ZINC001032962959 800567856 /nfs/dbraw/zinc/56/78/56/800567856.db2.gz BOAXGATWOUFSCT-QGZVFWFLSA-N 1 2 337.427 2.245 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)CC2CCOCC2)C1 ZINC001032964614 800572147 /nfs/dbraw/zinc/57/21/47/800572147.db2.gz KMHZMGIGZHKNII-AWEZNQCLSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)CC2CCOCC2)C1 ZINC001032964614 800572150 /nfs/dbraw/zinc/57/21/50/800572150.db2.gz KMHZMGIGZHKNII-AWEZNQCLSA-N 1 2 345.281 2.244 20 30 EEEDLO CC(=O)C[C@@H](C)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001181257281 800746162 /nfs/dbraw/zinc/74/61/62/800746162.db2.gz NWIXJHGRJUAUED-OAHLLOKOSA-N 1 2 327.428 2.276 20 30 EEEDLO C#Cc1ccc(C(=O)NC2CC[NH+](Cc3csc(C)n3)CC2)nc1 ZINC001003998103 800753005 /nfs/dbraw/zinc/75/30/05/800753005.db2.gz OSDBXFVYXFVFDH-UHFFFAOYSA-N 1 2 340.452 2.222 20 30 EEEDLO CCc1nc(C)c(C[N@@H+]2CC[C@@H]2CN(C)C(=O)c2c[nH]c(C#N)c2)o1 ZINC001085556645 800770259 /nfs/dbraw/zinc/77/02/59/800770259.db2.gz WQXBBXIAHYOVCP-OAHLLOKOSA-N 1 2 341.415 2.092 20 30 EEEDLO CCc1nc(C)c(C[N@H+]2CC[C@@H]2CN(C)C(=O)c2c[nH]c(C#N)c2)o1 ZINC001085556645 800770261 /nfs/dbraw/zinc/77/02/61/800770261.db2.gz WQXBBXIAHYOVCP-OAHLLOKOSA-N 1 2 341.415 2.092 20 30 EEEDLO CC(C)OCCC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001112626099 806862671 /nfs/dbraw/zinc/86/26/71/806862671.db2.gz VVLDWRRMMCGGDE-UHFFFAOYSA-N 1 2 345.443 2.048 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccns1 ZINC001085601466 800860064 /nfs/dbraw/zinc/86/00/64/800860064.db2.gz XSEADPJBROEYSM-BMFZPTHFSA-N 1 2 335.473 2.157 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccns1 ZINC001085601466 800860069 /nfs/dbraw/zinc/86/00/69/800860069.db2.gz XSEADPJBROEYSM-BMFZPTHFSA-N 1 2 335.473 2.157 20 30 EEEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC001033022629 800888256 /nfs/dbraw/zinc/88/82/56/800888256.db2.gz IIMDVVXSODRJQM-GFCCVEGCSA-N 1 2 327.215 2.352 20 30 EEEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001033022629 800888263 /nfs/dbraw/zinc/88/82/63/800888263.db2.gz IIMDVVXSODRJQM-GFCCVEGCSA-N 1 2 327.215 2.352 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-c2cc[nH]n2)s1 ZINC001085657249 800981439 /nfs/dbraw/zinc/98/14/39/800981439.db2.gz MIIVFGBNUMRMSR-ZDUSSCGKSA-N 1 2 328.441 2.308 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-c2cc[nH]n2)s1 ZINC001085657249 800981441 /nfs/dbraw/zinc/98/14/41/800981441.db2.gz MIIVFGBNUMRMSR-ZDUSSCGKSA-N 1 2 328.441 2.308 20 30 EEEDLO CCc1n[nH]cc1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085689673 801052216 /nfs/dbraw/zinc/05/22/16/801052216.db2.gz MAWCGOUOHVULNB-KRWDZBQOSA-N 1 2 336.439 2.170 20 30 EEEDLO CCc1n[nH]cc1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085689673 801052217 /nfs/dbraw/zinc/05/22/17/801052217.db2.gz MAWCGOUOHVULNB-KRWDZBQOSA-N 1 2 336.439 2.170 20 30 EEEDLO C[C@@]1(CNC(=O)C2(CF)CC2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108204899 801099535 /nfs/dbraw/zinc/09/95/35/801099535.db2.gz BPOPAISCKKPJJF-GOSISDBHSA-N 1 2 345.418 2.015 20 30 EEEDLO C[C@@]1(CNC(=O)C2(CF)CC2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108204899 801099538 /nfs/dbraw/zinc/09/95/38/801099538.db2.gz BPOPAISCKKPJJF-GOSISDBHSA-N 1 2 345.418 2.015 20 30 EEEDLO CCCCc1noc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C#CC(C)C)C2)n1 ZINC001182415328 801169954 /nfs/dbraw/zinc/16/99/54/801169954.db2.gz YZJJKEVCCKNGRC-LSDHHAIUSA-N 1 2 332.448 2.323 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1csc(=O)[nH]1 ZINC001085773745 801233889 /nfs/dbraw/zinc/23/38/89/801233889.db2.gz LTYGAHJFOAYIRM-OAHLLOKOSA-N 1 2 341.436 2.047 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)c1csc(=O)[nH]1 ZINC001085773745 801233896 /nfs/dbraw/zinc/23/38/96/801233896.db2.gz LTYGAHJFOAYIRM-OAHLLOKOSA-N 1 2 341.436 2.047 20 30 EEEDLO Cc1ccc(C#N)c(NCCCC[C@H](C)NC(=O)Cn2cc[nH+]c2)n1 ZINC001090097435 801563662 /nfs/dbraw/zinc/56/36/62/801563662.db2.gz MWVFWVLYXCEFCP-AWEZNQCLSA-N 1 2 340.431 2.245 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001110351110 802095598 /nfs/dbraw/zinc/09/55/98/802095598.db2.gz CEKSNBFYLZDYIS-CABCVRRESA-N 1 2 342.443 2.314 20 30 EEEDLO Cn1nc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)cc1C1CC1 ZINC001004454962 802111535 /nfs/dbraw/zinc/11/15/35/802111535.db2.gz BHCAHOAGYOTOMY-KRWDZBQOSA-N 1 2 341.459 2.138 20 30 EEEDLO Cn1nc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)cc1C1CC1 ZINC001004454962 802111540 /nfs/dbraw/zinc/11/15/40/802111540.db2.gz BHCAHOAGYOTOMY-KRWDZBQOSA-N 1 2 341.459 2.138 20 30 EEEDLO CCCc1cc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)[nH]n1 ZINC001004502987 802257106 /nfs/dbraw/zinc/25/71/06/802257106.db2.gz WGVRJZQWSKUNLV-QGZVFWFLSA-N 1 2 329.448 2.202 20 30 EEEDLO CCCc1cc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)[nH]n1 ZINC001004502987 802257111 /nfs/dbraw/zinc/25/71/11/802257111.db2.gz WGVRJZQWSKUNLV-QGZVFWFLSA-N 1 2 329.448 2.202 20 30 EEEDLO C[C@@H](Oc1ccccn1)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004594680 802445943 /nfs/dbraw/zinc/44/59/43/802445943.db2.gz CFMQUMZGYRSMAU-WBVHZDCISA-N 1 2 342.443 2.075 20 30 EEEDLO C[C@@H](Oc1ccccn1)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004594680 802445946 /nfs/dbraw/zinc/44/59/46/802445946.db2.gz CFMQUMZGYRSMAU-WBVHZDCISA-N 1 2 342.443 2.075 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cccnc23)CC1 ZINC001004598315 802454865 /nfs/dbraw/zinc/45/48/65/802454865.db2.gz WDCNYGXEMNZMJU-QGZVFWFLSA-N 1 2 337.427 2.403 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2c[nH]c3cccnc23)CC1 ZINC001004598315 802454868 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336.867 2.364 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn3c(n2)CC[C@H](C)C3)C1 ZINC001033197788 803073300 /nfs/dbraw/zinc/07/33/00/803073300.db2.gz SGLLQDYUQXXIFB-GXTWGEPZSA-N 1 2 336.867 2.364 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001108346800 803330687 /nfs/dbraw/zinc/33/06/87/803330687.db2.gz ZCTHOBKEXLFXCE-UKRRQHHQSA-N 1 2 334.382 2.195 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001108346800 803330695 /nfs/dbraw/zinc/33/06/95/803330695.db2.gz ZCTHOBKEXLFXCE-UKRRQHHQSA-N 1 2 334.382 2.195 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2ccc(OCC)cc2)C1 ZINC001108380900 803407206 /nfs/dbraw/zinc/40/72/06/803407206.db2.gz WNMGOMIMDDTTIX-LJQANCHMSA-N 1 2 332.444 2.021 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2ccc(OCC)cc2)C1 ZINC001108380900 803407211 /nfs/dbraw/zinc/40/72/11/803407211.db2.gz WNMGOMIMDDTTIX-LJQANCHMSA-N 1 2 332.444 2.021 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)Cc3cccc(F)c3)c2C1 ZINC001128571147 803420747 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O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCSC[C@@H]1c1nccs1 ZINC000329724831 465416223 /nfs/dbraw/zinc/41/62/23/465416223.db2.gz GANASNSWBIBTDN-ZWNOBZJWSA-N 1 2 349.485 2.428 20 30 EEEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCSC[C@@H]1c1nccs1 ZINC000329724831 465416228 /nfs/dbraw/zinc/41/62/28/465416228.db2.gz GANASNSWBIBTDN-ZWNOBZJWSA-N 1 2 349.485 2.428 20 30 EEEDLO Cc1ccccc1NC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481885 462552329 /nfs/dbraw/zinc/55/23/29/462552329.db2.gz QGUTWDXYEMFESR-UHFFFAOYSA-N 1 2 335.411 2.022 20 30 EEEDLO CC(C)c1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000060633941 462561968 /nfs/dbraw/zinc/56/19/68/462561968.db2.gz PELAGLQECKWIIC-UHFFFAOYSA-N 1 2 329.444 2.498 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000153259544 462631355 /nfs/dbraw/zinc/63/13/55/462631355.db2.gz LDROQROTKKOEHR-SFHVURJKSA-N 1 2 342.399 2.368 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000153259544 462631359 /nfs/dbraw/zinc/63/13/59/462631359.db2.gz LDROQROTKKOEHR-SFHVURJKSA-N 1 2 342.399 2.368 20 30 EEEDLO C=C[C@@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000128499198 462645785 /nfs/dbraw/zinc/64/57/85/462645785.db2.gz HDZVWTNWFXVOBJ-WBMJQRKESA-N 1 2 344.415 2.400 20 30 EEEDLO Cc1cccc([C@@H](CNC(=O)N(C)C[C@@H](C)C#N)[NH+]2CCOCC2)c1 ZINC000046249506 462664481 /nfs/dbraw/zinc/66/44/81/462664481.db2.gz YLHIONKIXHFXKZ-FUHWJXTLSA-N 1 2 344.459 2.169 20 30 EEEDLO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000089925769 462743437 /nfs/dbraw/zinc/74/34/37/462743437.db2.gz VSHFBEOTIUABKK-QGZVFWFLSA-N 1 2 328.391 2.376 20 30 EEEDLO C#CCNC(=O)CC[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000491201917 468321435 /nfs/dbraw/zinc/32/14/35/468321435.db2.gz KWVQJXDGCRDNJU-HNNXBMFYSA-N 1 2 340.345 2.218 20 30 EEEDLO C#CCNC(=O)CC[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000491201917 468321442 /nfs/dbraw/zinc/32/14/42/468321442.db2.gz KWVQJXDGCRDNJU-HNNXBMFYSA-N 1 2 340.345 2.218 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000076430912 462860370 /nfs/dbraw/zinc/86/03/70/462860370.db2.gz MJWQQIJNQBCRKP-UHFFFAOYSA-N 1 2 334.851 2.224 20 30 EEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000012695818 462863832 /nfs/dbraw/zinc/86/38/32/462863832.db2.gz UKJXBEJOOFQQOP-GOSISDBHSA-N 1 2 341.436 2.236 20 30 EEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000012695818 462863839 /nfs/dbraw/zinc/86/38/39/462863839.db2.gz UKJXBEJOOFQQOP-GOSISDBHSA-N 1 2 341.436 2.236 20 30 EEEDLO CC(C)CCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000119617924 462917448 /nfs/dbraw/zinc/91/74/48/462917448.db2.gz AIQCOHQDDMTKPM-IEBWSBKVSA-N 1 2 342.487 2.420 20 30 EEEDLO CC[N@H+](CCCC#N)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000066864988 462938849 /nfs/dbraw/zinc/93/88/49/462938849.db2.gz GUTKTCCEEVQMED-UHFFFAOYSA-N 1 2 330.388 2.066 20 30 EEEDLO CC[N@@H+](CCCC#N)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000066864988 462938852 /nfs/dbraw/zinc/93/88/52/462938852.db2.gz GUTKTCCEEVQMED-UHFFFAOYSA-N 1 2 330.388 2.066 20 30 EEEDLO C=CCc1cc(C[NH+]2CCN(C(=O)C3CC3)CC2)cc(OC)c1O ZINC000535784346 468329750 /nfs/dbraw/zinc/32/97/50/468329750.db2.gz JKFFHLMGWBYPOU-UHFFFAOYSA-N 1 2 330.428 2.184 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000092798069 462982048 /nfs/dbraw/zinc/98/20/48/462982048.db2.gz NQTBPKHJOKXOSG-UHFFFAOYSA-N 1 2 339.443 2.125 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000092798069 462982049 /nfs/dbraw/zinc/98/20/49/462982049.db2.gz NQTBPKHJOKXOSG-UHFFFAOYSA-N 1 2 339.443 2.125 20 30 EEEDLO COc1ccc(C[NH+]2CCN(Cc3nc(C)c(C)o3)CC2)cc1C#N ZINC000135046913 463110949 /nfs/dbraw/zinc/11/09/49/463110949.db2.gz OZXQBCSCWBCFGK-UHFFFAOYSA-N 1 2 340.427 2.490 20 30 EEEDLO CCc1cc(NCCCc2[nH]nc(N)c2C#N)nc(-c2ccncc2)[nH+]1 ZINC000068660379 463162201 /nfs/dbraw/zinc/16/22/01/463162201.db2.gz UMGAMEPNJXBOAB-UHFFFAOYSA-N 1 2 348.414 2.323 20 30 EEEDLO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1)C1(C#N)CCCCC1 ZINC000069968244 463359992 /nfs/dbraw/zinc/35/99/92/463359992.db2.gz YCSCXWNWQYLSGS-MRXNPFEDSA-N 1 2 329.448 2.242 20 30 EEEDLO CN(C(=O)C[N@H+]1CCC[C@@H]1c1cnn(C)c1)C1(C#N)CCCCC1 ZINC000069968244 463359998 /nfs/dbraw/zinc/35/99/98/463359998.db2.gz YCSCXWNWQYLSGS-MRXNPFEDSA-N 1 2 329.448 2.242 20 30 EEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000080908090 463365128 /nfs/dbraw/zinc/36/51/28/463365128.db2.gz FAKYRFPZFAURGX-LJQANCHMSA-N 1 2 340.471 2.271 20 30 EEEDLO C=CCCOCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000143627656 463370798 /nfs/dbraw/zinc/37/07/98/463370798.db2.gz QKMGTZDFZZRMNW-UHFFFAOYSA-N 1 2 332.448 2.150 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000057020907 463445148 /nfs/dbraw/zinc/44/51/48/463445148.db2.gz FFKQWMCUKPNWSI-UHFFFAOYSA-N 1 2 338.392 2.222 20 30 EEEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000124907453 463478184 /nfs/dbraw/zinc/47/81/84/463478184.db2.gz YMDASRLBASZNGE-UHFFFAOYSA-N 1 2 327.350 2.130 20 30 EEEDLO C=CC[N@H+](CC(=O)NC(=O)NC1CC1)Cc1ccc(Cl)s1 ZINC000057363703 463481103 /nfs/dbraw/zinc/48/11/03/463481103.db2.gz VZJMTRYGEVSWOX-UHFFFAOYSA-N 1 2 327.837 2.378 20 30 EEEDLO C=CC[N@@H+](CC(=O)NC(=O)NC1CC1)Cc1ccc(Cl)s1 ZINC000057363703 463481109 /nfs/dbraw/zinc/48/11/09/463481109.db2.gz VZJMTRYGEVSWOX-UHFFFAOYSA-N 1 2 327.837 2.378 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000042331748 463556767 /nfs/dbraw/zinc/55/67/67/463556767.db2.gz RSPIKZPRDSGDND-KRWDZBQOSA-N 1 2 343.471 2.258 20 30 EEEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000072883471 463559642 /nfs/dbraw/zinc/55/96/42/463559642.db2.gz ANXYLSPJSYWSMW-UHFFFAOYSA-N 1 2 326.444 2.083 20 30 EEEDLO Cc1cc(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc[nH+]1 ZINC000073688560 463644140 /nfs/dbraw/zinc/64/41/40/463644140.db2.gz SYHDXHMZWFBRBE-UHFFFAOYSA-N 1 2 334.383 2.493 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N(C)[C@@H](C)CC(C)C)cs1 ZINC000177476678 463715687 /nfs/dbraw/zinc/71/56/87/463715687.db2.gz DUUMCNYEFPGYBQ-NSHDSACASA-N 1 2 326.466 2.176 20 30 EEEDLO N#CCCCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000170886546 463732484 /nfs/dbraw/zinc/73/24/84/463732484.db2.gz YTIXSHKPDDGRGO-CQSZACIVSA-N 1 2 336.461 2.114 20 30 EEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000268680191 463788056 /nfs/dbraw/zinc/78/80/56/463788056.db2.gz MBINSFJYOFPAHI-OXJNMPFZSA-N 1 2 336.439 2.365 20 30 EEEDLO C=CCOc1ccccc1C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194766659 463924455 /nfs/dbraw/zinc/92/44/55/463924455.db2.gz YOGJEBNSBHFRLA-IYBDPMFKSA-N 1 2 332.444 2.433 20 30 EEEDLO C=CCOc1ccccc1C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194766659 463924460 /nfs/dbraw/zinc/92/44/60/463924460.db2.gz YOGJEBNSBHFRLA-IYBDPMFKSA-N 1 2 332.444 2.433 20 30 EEEDLO C=CC1CCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC000171829188 463933095 /nfs/dbraw/zinc/93/30/95/463933095.db2.gz AITDZQBAGFHPGZ-UHFFFAOYSA-N 1 2 330.432 2.026 20 30 EEEDLO C=CCOc1ccc(CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000287587079 463936942 /nfs/dbraw/zinc/93/69/42/463936942.db2.gz XVKVYUXPKUESPB-JKSUJKDBSA-N 1 2 347.459 2.160 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000289549949 464084229 /nfs/dbraw/zinc/08/42/29/464084229.db2.gz UJEGBSBWLFWIMD-VIFPVBQESA-N 1 2 329.160 2.286 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000289549949 464084233 /nfs/dbraw/zinc/08/42/33/464084233.db2.gz UJEGBSBWLFWIMD-VIFPVBQESA-N 1 2 329.160 2.286 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cn(C)nc2-c2cccnc2)n1 ZINC000279427836 464103743 /nfs/dbraw/zinc/10/37/43/464103743.db2.gz PVRLEBGMDNIYTG-UHFFFAOYSA-N 1 2 334.427 2.334 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cn(C)nc2-c2cccnc2)n1 ZINC000279427836 464103750 /nfs/dbraw/zinc/10/37/50/464103750.db2.gz PVRLEBGMDNIYTG-UHFFFAOYSA-N 1 2 334.427 2.334 20 30 EEEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCc2cncs2)CC1 ZINC000591016799 468393099 /nfs/dbraw/zinc/39/30/99/468393099.db2.gz GXDFSBJNIMWRGL-UHFFFAOYSA-N 1 2 329.429 2.245 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)NCc2ccc(F)cc2)n1 ZINC000279723220 464134706 /nfs/dbraw/zinc/13/47/06/464134706.db2.gz MEDYERXZIUCGHI-HNNXBMFYSA-N 1 2 342.418 2.182 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NCc2ccc(F)cc2)n1 ZINC000279723220 464134713 /nfs/dbraw/zinc/13/47/13/464134713.db2.gz MEDYERXZIUCGHI-HNNXBMFYSA-N 1 2 342.418 2.182 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263774305 464185392 /nfs/dbraw/zinc/18/53/92/464185392.db2.gz XGCIOVITBLGKER-QAPCUYQASA-N 1 2 329.444 2.240 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263774305 464185398 /nfs/dbraw/zinc/18/53/98/464185398.db2.gz XGCIOVITBLGKER-QAPCUYQASA-N 1 2 329.444 2.240 20 30 EEEDLO CCC(CC)[C@@H](C(=O)NCc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000173055355 464185520 /nfs/dbraw/zinc/18/55/20/464185520.db2.gz ZKBLWTOLKJPBEN-SFHVURJKSA-N 1 2 329.444 2.311 20 30 EEEDLO C#CC[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC000270165774 464205440 /nfs/dbraw/zinc/20/54/40/464205440.db2.gz GPACYEAAPHUGAZ-KRWDZBQOSA-N 1 2 329.444 2.161 20 30 EEEDLO CC#CCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280611243 464221651 /nfs/dbraw/zinc/22/16/51/464221651.db2.gz DNBAIEGWVLNPGK-MOPGFXCFSA-N 1 2 326.440 2.292 20 30 EEEDLO CC#CCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280611243 464221654 /nfs/dbraw/zinc/22/16/54/464221654.db2.gz DNBAIEGWVLNPGK-MOPGFXCFSA-N 1 2 326.440 2.292 20 30 EEEDLO N#Cc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1O ZINC000188222212 464228929 /nfs/dbraw/zinc/22/89/29/464228929.db2.gz IXHAOMQODDPZTR-UHFFFAOYSA-N 1 2 343.427 2.029 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1cccc(F)c1 ZINC000173361782 464247255 /nfs/dbraw/zinc/24/72/55/464247255.db2.gz PBINTYDNOBMXFL-OAHLLOKOSA-N 1 2 333.407 2.004 20 30 EEEDLO CCN1CC[NH+]([C@@H]2CCN(c3nc4c(cc3C#N)CCCC4)C2)CC1 ZINC000270863298 464270395 /nfs/dbraw/zinc/27/03/95/464270395.db2.gz AERIBJMHRZVFBY-GOSISDBHSA-N 1 2 339.487 2.048 20 30 EEEDLO C=CCCCN(C)C(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000284668046 464286247 /nfs/dbraw/zinc/28/62/47/464286247.db2.gz UNCWMHWNUQEOGJ-CRAIPNDOSA-N 1 2 344.459 2.287 20 30 EEEDLO COC(=O)c1cc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)oc1C ZINC000271717373 464370460 /nfs/dbraw/zinc/37/04/60/464370460.db2.gz IXNDIWDKJGWKCZ-UHFFFAOYSA-N 1 2 330.340 2.147 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H](O)c1cc2ccccc2o1 ZINC000292940621 464378544 /nfs/dbraw/zinc/37/85/44/464378544.db2.gz ZYYZRFCMCBEULZ-QGZVFWFLSA-N 1 2 343.427 2.014 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(C)c(C)c2)C1=O ZINC000281258643 464391032 /nfs/dbraw/zinc/39/10/32/464391032.db2.gz HHTLHHPLTLQGOQ-NVXWUHKLSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(C)c(C)c2)C1=O ZINC000281258643 464391037 /nfs/dbraw/zinc/39/10/37/464391037.db2.gz HHTLHHPLTLQGOQ-NVXWUHKLSA-N 1 2 329.444 2.349 20 30 EEEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000264613377 464394206 /nfs/dbraw/zinc/39/42/06/464394206.db2.gz GEMPWUGLWIDKOA-CYBMUJFWSA-N 1 2 334.851 2.248 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(C)cc2F)C1=O ZINC000281314871 464412064 /nfs/dbraw/zinc/41/20/64/464412064.db2.gz KURGCGPOIIIDQE-CZUORRHYSA-N 1 2 333.407 2.180 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(C)cc2F)C1=O ZINC000281314871 464412072 /nfs/dbraw/zinc/41/20/72/464412072.db2.gz KURGCGPOIIIDQE-CZUORRHYSA-N 1 2 333.407 2.180 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccccc2Cl)C1=O ZINC000281332806 464416697 /nfs/dbraw/zinc/41/66/97/464416697.db2.gz LXCDSWIBRXGMPD-XJKSGUPXSA-N 1 2 349.862 2.236 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccccc2Cl)C1=O ZINC000281332806 464416702 /nfs/dbraw/zinc/41/67/02/464416702.db2.gz LXCDSWIBRXGMPD-XJKSGUPXSA-N 1 2 349.862 2.236 20 30 EEEDLO CCC[N@H+](CC(=O)NC)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174863606 464459618 /nfs/dbraw/zinc/45/96/18/464459618.db2.gz PRSYODPMEAPTJT-UHFFFAOYSA-N 1 2 340.427 2.196 20 30 EEEDLO CCC[N@@H+](CC(=O)NC)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174863606 464459620 /nfs/dbraw/zinc/45/96/20/464459620.db2.gz PRSYODPMEAPTJT-UHFFFAOYSA-N 1 2 340.427 2.196 20 30 EEEDLO C=CCc1cc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)cc(OC)c1O ZINC000245574902 464496477 /nfs/dbraw/zinc/49/64/77/464496477.db2.gz ZQXIVCIGFOCLPF-HZPDHXFCSA-N 1 2 330.428 2.372 20 30 EEEDLO C=CCc1cc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)cc(OC)c1O ZINC000245574902 464496482 /nfs/dbraw/zinc/49/64/82/464496482.db2.gz ZQXIVCIGFOCLPF-HZPDHXFCSA-N 1 2 330.428 2.372 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246421129 464581755 /nfs/dbraw/zinc/58/17/55/464581755.db2.gz JUPUGJQAPOTGMT-LPHOPBHVSA-N 1 2 329.444 2.242 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246421129 464581761 /nfs/dbraw/zinc/58/17/61/464581761.db2.gz JUPUGJQAPOTGMT-LPHOPBHVSA-N 1 2 329.444 2.242 20 30 EEEDLO NC(COc1cccc(F)c1)=[NH+]OCCCNC(=O)C1CCCC1 ZINC000190136521 464600508 /nfs/dbraw/zinc/60/05/08/464600508.db2.gz KIPQGFUUWFJOMY-UHFFFAOYSA-N 1 2 337.395 2.190 20 30 EEEDLO N#Cc1ccc(OC2CCN(c3nc[nH+]c4c3OCCN4)CC2)cc1 ZINC000591144988 468415256 /nfs/dbraw/zinc/41/52/56/468415256.db2.gz CLTKYMCGLCYQDZ-UHFFFAOYSA-N 1 2 337.383 2.200 20 30 EEEDLO N#Cc1ccc(OC2CCN(c3[nH+]cnc4c3OCCN4)CC2)cc1 ZINC000591144988 468415262 /nfs/dbraw/zinc/41/52/62/468415262.db2.gz CLTKYMCGLCYQDZ-UHFFFAOYSA-N 1 2 337.383 2.200 20 30 EEEDLO CCN(C)C(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000273587763 464721496 /nfs/dbraw/zinc/72/14/96/464721496.db2.gz RMYBATPCJIYELX-UHFFFAOYSA-N 1 2 341.411 2.381 20 30 EEEDLO CCOC(=O)[C@H](C)[N@H+](CCOc1ccc(C#N)cc1OC)C1CC1 ZINC000190853031 464732606 /nfs/dbraw/zinc/73/26/06/464732606.db2.gz HNTVDVVIWFTALB-ZDUSSCGKSA-N 1 2 332.400 2.362 20 30 EEEDLO CCOC(=O)[C@H](C)[N@@H+](CCOc1ccc(C#N)cc1OC)C1CC1 ZINC000190853031 464732608 /nfs/dbraw/zinc/73/26/08/464732608.db2.gz HNTVDVVIWFTALB-ZDUSSCGKSA-N 1 2 332.400 2.362 20 30 EEEDLO C#CCN(C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1)C1CC1 ZINC000274100406 464733774 /nfs/dbraw/zinc/73/37/74/464733774.db2.gz JVWLTCVBYHWXKV-LJQANCHMSA-N 1 2 341.455 2.176 20 30 EEEDLO CC(C)c1cccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000597020202 468418844 /nfs/dbraw/zinc/41/88/44/468418844.db2.gz HKFDXUPJAFCTIP-UHFFFAOYSA-N 1 2 329.444 2.498 20 30 EEEDLO CC(=O)c1ccc(NC(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C)cc1 ZINC000266243670 464769126 /nfs/dbraw/zinc/76/91/26/464769126.db2.gz YCSJFJKJRLEBLA-CYBMUJFWSA-N 1 2 335.404 2.178 20 30 EEEDLO CC1(C)C[N@H+](CC(=O)Nc2ccccc2SCC#N)CC[C@@H]1O ZINC000275427639 464774189 /nfs/dbraw/zinc/77/41/89/464774189.db2.gz IMUMCODOXDZGHJ-HNNXBMFYSA-N 1 2 333.457 2.334 20 30 EEEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2SCC#N)CC[C@@H]1O ZINC000275427639 464774196 /nfs/dbraw/zinc/77/41/96/464774196.db2.gz IMUMCODOXDZGHJ-HNNXBMFYSA-N 1 2 333.457 2.334 20 30 EEEDLO Cc1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(C)[nH+]1 ZINC000176708961 464830942 /nfs/dbraw/zinc/83/09/42/464830942.db2.gz RXHKNQSCLUSBMU-UHFFFAOYSA-N 1 2 336.399 2.319 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N([C@@H](C)C2CC2)C2CC2)cc1 ZINC000267138372 464918725 /nfs/dbraw/zinc/91/87/25/464918725.db2.gz HBKABITYWOSHSF-ZDUSSCGKSA-N 1 2 345.443 2.316 20 30 EEEDLO C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000569062400 468428631 /nfs/dbraw/zinc/42/86/31/468428631.db2.gz ULOZGHUYBLFDAC-MRXNPFEDSA-N 1 2 349.438 2.127 20 30 EEEDLO CCc1nnc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c(C#N)c1CC ZINC000268236656 464987064 /nfs/dbraw/zinc/98/70/64/464987064.db2.gz WMTSPGJVOBJIRA-LBPRGKRZSA-N 1 2 344.488 2.086 20 30 EEEDLO COC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177427728 465012535 /nfs/dbraw/zinc/01/25/35/465012535.db2.gz WQLREEFRSGBYEK-INIZCTEOSA-N 1 2 335.429 2.060 20 30 EEEDLO COC(=O)[C@@]1(C)CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177427728 465012542 /nfs/dbraw/zinc/01/25/42/465012542.db2.gz WQLREEFRSGBYEK-INIZCTEOSA-N 1 2 335.429 2.060 20 30 EEEDLO O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)N1CCn2cc[nH+]c2C1 ZINC000329400798 465321944 /nfs/dbraw/zinc/32/19/44/465321944.db2.gz BFZWVFNNQSSDKX-OAHLLOKOSA-N 1 2 343.406 2.421 20 30 EEEDLO Cc1c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)ccn1C(C)C ZINC000339586072 465365553 /nfs/dbraw/zinc/36/55/53/465365553.db2.gz FVKITYZIROOFOT-UHFFFAOYSA-N 1 2 332.448 2.066 20 30 EEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000329687910 465406445 /nfs/dbraw/zinc/40/64/45/465406445.db2.gz AUCPSWFWDINUOU-LBPRGKRZSA-N 1 2 335.429 2.132 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1O ZINC000337567699 465439679 /nfs/dbraw/zinc/43/96/79/465439679.db2.gz BWYJJBBBNUQVEN-INIZCTEOSA-N 1 2 325.343 2.190 20 30 EEEDLO C[C@H]1C(=O)NCCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000329902632 465468666 /nfs/dbraw/zinc/46/86/66/465468666.db2.gz HUOVHFVGCWOILC-ZDUSSCGKSA-N 1 2 327.388 2.337 20 30 EEEDLO N#CCNC(=O)C[N@@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000343044751 465471886 /nfs/dbraw/zinc/47/18/86/465471886.db2.gz YPXJQJSBVYTEIB-UHFFFAOYSA-N 1 2 340.196 2.192 20 30 EEEDLO N#CCNC(=O)C[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000343044751 465471893 /nfs/dbraw/zinc/47/18/93/465471893.db2.gz YPXJQJSBVYTEIB-UHFFFAOYSA-N 1 2 340.196 2.192 20 30 EEEDLO Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@@H+]2CCC23CCC3)c1 ZINC000329936594 465479325 /nfs/dbraw/zinc/47/93/25/465479325.db2.gz LBWZFNWCSTXPTD-UHFFFAOYSA-N 1 2 330.367 2.326 20 30 EEEDLO Cc1nnnn1-c1ccc(F)c(NC(=O)C[N@H+]2CCC23CCC3)c1 ZINC000329936594 465479330 /nfs/dbraw/zinc/47/93/30/465479330.db2.gz LBWZFNWCSTXPTD-UHFFFAOYSA-N 1 2 330.367 2.326 20 30 EEEDLO CS(=O)(=O)C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC000330087203 465528453 /nfs/dbraw/zinc/52/84/53/465528453.db2.gz MZHLJOMCXMZHAR-CQSZACIVSA-N 1 2 328.478 2.317 20 30 EEEDLO CS(=O)(=O)C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCC1 ZINC000330087203 465528456 /nfs/dbraw/zinc/52/84/56/465528456.db2.gz MZHLJOMCXMZHAR-CQSZACIVSA-N 1 2 328.478 2.317 20 30 EEEDLO Cc1cccc(NC(=O)NC(=O)C[NH+]2CCC(F)(C#N)CC2)c1C ZINC000352458250 465530422 /nfs/dbraw/zinc/53/04/22/465530422.db2.gz IDXXLVKTERSNAN-UHFFFAOYSA-N 1 2 332.379 2.279 20 30 EEEDLO CC[C@H](C(=O)OC)[NH+]1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000352657453 465545213 /nfs/dbraw/zinc/54/52/13/465545213.db2.gz ARMKZRFAARXZQV-QGZVFWFLSA-N 1 2 334.847 2.261 20 30 EEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348332965 465556066 /nfs/dbraw/zinc/55/60/66/465556066.db2.gz XDZSSEBUOPTRAE-GUYCJALGSA-N 1 2 346.862 2.189 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccnn1C ZINC000348361314 465567173 /nfs/dbraw/zinc/56/71/73/465567173.db2.gz AIFWPUXHENNMIC-NSHDSACASA-N 1 2 343.456 2.301 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccnn1C ZINC000348361314 465567175 /nfs/dbraw/zinc/56/71/75/465567175.db2.gz AIFWPUXHENNMIC-NSHDSACASA-N 1 2 343.456 2.301 20 30 EEEDLO C=CCSCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000299317527 465694317 /nfs/dbraw/zinc/69/43/17/465694317.db2.gz LDQOSKAKYTYZSI-QGZVFWFLSA-N 1 2 349.500 2.106 20 30 EEEDLO C=CCSCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000299317527 465694324 /nfs/dbraw/zinc/69/43/24/465694324.db2.gz LDQOSKAKYTYZSI-QGZVFWFLSA-N 1 2 349.500 2.106 20 30 EEEDLO C=C(C)CN(C)C(=O)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000340102563 465767455 /nfs/dbraw/zinc/76/74/55/465767455.db2.gz NTPZGSUTDUUTJU-UHFFFAOYSA-N 1 2 344.459 2.113 20 30 EEEDLO CC[C@H]1C[N@H+](CCNC(=O)C[C@@H](CC#N)c2ccccc2)CCO1 ZINC000357108214 465779876 /nfs/dbraw/zinc/77/98/76/465779876.db2.gz MIRMECYPBBNTJG-MSOLQXFVSA-N 1 2 329.444 2.301 20 30 EEEDLO CC[C@H]1C[N@@H+](CCNC(=O)C[C@@H](CC#N)c2ccccc2)CCO1 ZINC000357108214 465779886 /nfs/dbraw/zinc/77/98/86/465779886.db2.gz MIRMECYPBBNTJG-MSOLQXFVSA-N 1 2 329.444 2.301 20 30 EEEDLO Cc1nnc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)o1 ZINC000299647248 465840650 /nfs/dbraw/zinc/84/06/50/465840650.db2.gz OQCORVNMLGJWOU-UHFFFAOYSA-N 1 2 325.372 2.100 20 30 EEEDLO CSc1nc(C(C)C)nc(C)c1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000331026954 465904107 /nfs/dbraw/zinc/90/41/07/465904107.db2.gz BXSVSVNZBIJYBJ-LBPRGKRZSA-N 1 2 338.477 2.266 20 30 EEEDLO CSc1nc(C(C)C)nc(C)c1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000331026954 465904113 /nfs/dbraw/zinc/90/41/13/465904113.db2.gz BXSVSVNZBIJYBJ-LBPRGKRZSA-N 1 2 338.477 2.266 20 30 EEEDLO CCn1ncnc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000366828921 465957870 /nfs/dbraw/zinc/95/78/70/465957870.db2.gz PLGQTVYIADHAFC-UHFFFAOYSA-N 1 2 335.415 2.365 20 30 EEEDLO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccon1 ZINC000349239113 466031643 /nfs/dbraw/zinc/03/16/43/466031643.db2.gz KTVAQMVNLJIFCS-LBPRGKRZSA-N 1 2 336.355 2.021 20 30 EEEDLO C=CCOCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000346323628 466082466 /nfs/dbraw/zinc/08/24/66/466082466.db2.gz LWQDFTOHJFZDRB-NVXWUHKLSA-N 1 2 338.835 2.031 20 30 EEEDLO C=CCOCC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000346323628 466082474 /nfs/dbraw/zinc/08/24/74/466082474.db2.gz LWQDFTOHJFZDRB-NVXWUHKLSA-N 1 2 338.835 2.031 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCc2ccc(OCC#N)cc2)C1 ZINC000372301993 466290650 /nfs/dbraw/zinc/29/06/50/466290650.db2.gz MUYQUDHZNIRNKN-OAHLLOKOSA-N 1 2 339.399 2.022 20 30 EEEDLO C=CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)OC)[C@H]2C(=O)OC)c1 ZINC000354034012 466333609 /nfs/dbraw/zinc/33/36/09/466333609.db2.gz OGEHFHYTPDUCOJ-SJORKVTESA-N 1 2 347.411 2.178 20 30 EEEDLO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)OC)[C@H]2C(=O)OC)c1 ZINC000354034012 466333614 /nfs/dbraw/zinc/33/36/14/466333614.db2.gz OGEHFHYTPDUCOJ-SJORKVTESA-N 1 2 347.411 2.178 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccncc3)CC2)s1 ZINC000372391135 466347850 /nfs/dbraw/zinc/34/78/50/466347850.db2.gz DAAPGDRIYXVLJW-UHFFFAOYSA-N 1 2 326.425 2.363 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccncc3)CC2)s1 ZINC000372391135 466347854 /nfs/dbraw/zinc/34/78/54/466347854.db2.gz DAAPGDRIYXVLJW-UHFFFAOYSA-N 1 2 326.425 2.363 20 30 EEEDLO C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000338867852 466441539 /nfs/dbraw/zinc/44/15/39/466441539.db2.gz OJXMFDTUSKLULZ-MRXNPFEDSA-N 1 2 331.464 2.033 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000340948898 466459051 /nfs/dbraw/zinc/45/90/51/466459051.db2.gz GBIPICSRNBWORJ-MGPQQGTHSA-N 1 2 333.457 2.474 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C[C@H]1C ZINC000340948898 466459056 /nfs/dbraw/zinc/45/90/56/466459056.db2.gz GBIPICSRNBWORJ-MGPQQGTHSA-N 1 2 333.457 2.474 20 30 EEEDLO N#CC1(NC(=O)C[N@H+](Cc2cccs2)[C@@H]2C=C[C@@H](CO)C2)CCC1 ZINC000347336028 466575666 /nfs/dbraw/zinc/57/56/66/466575666.db2.gz NVPYOTIXXMSXKR-HUUCEWRRSA-N 1 2 345.468 2.050 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@@H](CO)C2)CCC1 ZINC000347336028 466575674 /nfs/dbraw/zinc/57/56/74/466575674.db2.gz NVPYOTIXXMSXKR-HUUCEWRRSA-N 1 2 345.468 2.050 20 30 EEEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000416599522 466743085 /nfs/dbraw/zinc/74/30/85/466743085.db2.gz WKPODAWBXFKBLP-AWEZNQCLSA-N 1 2 345.424 2.046 20 30 EEEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000416599522 466743089 /nfs/dbraw/zinc/74/30/89/466743089.db2.gz WKPODAWBXFKBLP-AWEZNQCLSA-N 1 2 345.424 2.046 20 30 EEEDLO COc1cccc(C(=O)N2CC[NH+]([C@H](C)CCC#N)CC2)c1OC ZINC000411211736 466783437 /nfs/dbraw/zinc/78/34/37/466783437.db2.gz OSKZGAXZNXLIRZ-CQSZACIVSA-N 1 2 331.416 2.154 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000373835257 466936869 /nfs/dbraw/zinc/93/68/69/466936869.db2.gz KGRIMWGGDODMOL-OAHLLOKOSA-N 1 2 342.424 2.244 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000373835257 466936875 /nfs/dbraw/zinc/93/68/75/466936875.db2.gz KGRIMWGGDODMOL-OAHLLOKOSA-N 1 2 342.424 2.244 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1cccc(C2CC2)c1 ZINC000412133008 467021491 /nfs/dbraw/zinc/02/14/91/467021491.db2.gz QRWZQIZWGWXREL-UHFFFAOYSA-N 1 2 341.455 2.181 20 30 EEEDLO N#C[C@H]1CSCCN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425237350 467089927 /nfs/dbraw/zinc/08/99/27/467089927.db2.gz RVPWVAGZZTYVMJ-GJZGRUSLSA-N 1 2 326.425 2.399 20 30 EEEDLO COCC[C@@H](C)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000413623645 467280923 /nfs/dbraw/zinc/28/09/23/467280923.db2.gz JMHSBMHPDJLZKV-MRXNPFEDSA-N 1 2 344.459 2.058 20 30 EEEDLO C=C(C)CCNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000453893832 467553524 /nfs/dbraw/zinc/55/35/24/467553524.db2.gz QXHDVDFRMACRKC-HNNXBMFYSA-N 1 2 345.443 2.101 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](CC)[C@H]1CCNC1=O ZINC000440964279 467571377 /nfs/dbraw/zinc/57/13/77/467571377.db2.gz XPCBQXHNKJKSMD-AWEZNQCLSA-N 1 2 333.457 2.114 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@H+](CC)[C@H]1CCNC1=O ZINC000440964279 467571379 /nfs/dbraw/zinc/57/13/79/467571379.db2.gz XPCBQXHNKJKSMD-AWEZNQCLSA-N 1 2 333.457 2.114 20 30 EEEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000448764169 467600797 /nfs/dbraw/zinc/60/07/97/467600797.db2.gz KIXRGQZXGKFFIB-XPTSAGLGSA-N 1 2 333.189 2.263 20 30 EEEDLO N#CC1(NC(=O)C[NH2+][C@H](c2nccs2)c2ccccc2)CCC1 ZINC000527117848 467655044 /nfs/dbraw/zinc/65/50/44/467655044.db2.gz XOIHFOWNFIAJKL-HNNXBMFYSA-N 1 2 326.425 2.385 20 30 EEEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(F)F ZINC000455271928 467656997 /nfs/dbraw/zinc/65/69/97/467656997.db2.gz QMUXLHRVEWYJAB-CYBMUJFWSA-N 1 2 336.386 2.429 20 30 EEEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000492534991 467666965 /nfs/dbraw/zinc/66/69/65/467666965.db2.gz NUZCLLCKFXGZOD-BQYQJAHWSA-N 1 2 335.411 2.137 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000493450800 467913305 /nfs/dbraw/zinc/91/33/05/467913305.db2.gz BKGGAFLUVXPCGO-ZKKXHLJNSA-N 1 2 336.779 2.221 20 30 EEEDLO C=C(C)CCNC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000458990434 467933968 /nfs/dbraw/zinc/93/39/68/467933968.db2.gz BQXKTRNLTPRILF-UHFFFAOYSA-N 1 2 347.459 2.367 20 30 EEEDLO COc1ccc(C#N)cc1C[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000514645464 467944606 /nfs/dbraw/zinc/94/46/06/467944606.db2.gz VVSKOJIWNYCYBG-UHFFFAOYSA-N 1 2 348.468 2.358 20 30 EEEDLO CCn1cc[nH+]c1CNC(=O)/C=C/c1ccc(OCC#N)c(OC)c1 ZINC000493623592 467951487 /nfs/dbraw/zinc/95/14/87/467951487.db2.gz ZXFDVWFSUZFDLL-FNORWQNLSA-N 1 2 340.383 2.144 20 30 EEEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000472325153 467985601 /nfs/dbraw/zinc/98/56/01/467985601.db2.gz IZZHTGLAGHFPGE-MSOLQXFVSA-N 1 2 342.443 2.218 20 30 EEEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000472325153 467985603 /nfs/dbraw/zinc/98/56/03/467985603.db2.gz IZZHTGLAGHFPGE-MSOLQXFVSA-N 1 2 342.443 2.218 20 30 EEEDLO CCc1ccc([C@@H](C#N)NC(=O)c2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000517471835 468086019 /nfs/dbraw/zinc/08/60/19/468086019.db2.gz ODWPYWGRABHRPF-MRXNPFEDSA-N 1 2 332.367 2.219 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000488995977 468115910 /nfs/dbraw/zinc/11/59/10/468115910.db2.gz WPUCMQPFTWMOEN-HNNXBMFYSA-N 1 2 335.423 2.489 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000488995977 468115912 /nfs/dbraw/zinc/11/59/12/468115912.db2.gz WPUCMQPFTWMOEN-HNNXBMFYSA-N 1 2 335.423 2.489 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(F)cc(Br)c1 ZINC000519266247 468150882 /nfs/dbraw/zinc/15/08/82/468150882.db2.gz PJUNWMDDOOCXSX-CYBMUJFWSA-N 1 2 328.185 2.162 20 30 EEEDLO CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567114286 468165029 /nfs/dbraw/zinc/16/50/29/468165029.db2.gz INQRJZPTKFCHOP-ACJLOTCBSA-N 1 2 342.447 2.284 20 30 EEEDLO CC(C)COc1cccc(OCC(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000576758639 468172696 /nfs/dbraw/zinc/17/26/96/468172696.db2.gz BAFUTZKKGCGDIG-GOSISDBHSA-N 1 2 333.432 2.060 20 30 EEEDLO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[NH2+][C@H](CC)CC#N ZINC000569590236 468514690 /nfs/dbraw/zinc/51/46/90/468514690.db2.gz UMDXJOWJEICKPB-MRXNPFEDSA-N 1 2 344.459 2.454 20 30 EEEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](n4ccnn4)C3)o2)c1 ZINC000591851643 468531191 /nfs/dbraw/zinc/53/11/91/468531191.db2.gz VXDGPKAYJKGIDJ-HNNXBMFYSA-N 1 2 335.371 2.037 20 30 EEEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](n4ccnn4)C3)o2)c1 ZINC000591851643 468531195 /nfs/dbraw/zinc/53/11/95/468531195.db2.gz VXDGPKAYJKGIDJ-HNNXBMFYSA-N 1 2 335.371 2.037 20 30 EEEDLO Cc1cn2cc(NC(=O)C(=O)N3CCC(CCC#N)CC3)ccc2[nH+]1 ZINC000569721365 468534634 /nfs/dbraw/zinc/53/46/34/468534634.db2.gz UYYQZDCJRCAKFY-UHFFFAOYSA-N 1 2 339.399 2.124 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1)OCC ZINC000582610982 468567206 /nfs/dbraw/zinc/56/72/06/468567206.db2.gz HVZBTHVUUUYJQU-QGZVFWFLSA-N 1 2 345.447 2.017 20 30 EEEDLO CC(C)[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC000594539520 468617659 /nfs/dbraw/zinc/61/76/59/468617659.db2.gz AWVSEXGXWTZZJW-SFHVURJKSA-N 1 2 329.444 2.469 20 30 EEEDLO C[C@@H](CC(=O)N1CCN(c2ccsc2C#N)CC1)n1cc[nH+]c1 ZINC000597943160 468720392 /nfs/dbraw/zinc/72/03/92/468720392.db2.gz QBBNDFIOQBJUDU-ZDUSSCGKSA-N 1 2 329.429 2.116 20 30 EEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc2ccccc2n1CC#N ZINC000597996098 468734768 /nfs/dbraw/zinc/73/47/68/468734768.db2.gz IBFAWVMJYPBPGW-CABCVRRESA-N 1 2 340.427 2.004 20 30 EEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc2ccccc2n1CC#N ZINC000597996098 468734771 /nfs/dbraw/zinc/73/47/71/468734771.db2.gz IBFAWVMJYPBPGW-CABCVRRESA-N 1 2 340.427 2.004 20 30 EEEDLO N#Cc1cccc(NCc2ccc(C[NH+]3CCS(=O)CC3)cc2)n1 ZINC000601178453 468772802 /nfs/dbraw/zinc/77/28/02/468772802.db2.gz QQDBABXTPDWMLC-UHFFFAOYSA-N 1 2 340.452 2.130 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc2ccccc2n1 ZINC000595340927 468817455 /nfs/dbraw/zinc/81/74/55/468817455.db2.gz ZEUDTSZOVNRBIO-AWEZNQCLSA-N 1 2 345.410 2.002 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc2ccccc2n1 ZINC000595340927 468817458 /nfs/dbraw/zinc/81/74/58/468817458.db2.gz ZEUDTSZOVNRBIO-AWEZNQCLSA-N 1 2 345.410 2.002 20 30 EEEDLO COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598460178 468873456 /nfs/dbraw/zinc/87/34/56/468873456.db2.gz RPMHEALPYWBUMF-CYBMUJFWSA-N 1 2 342.399 2.337 20 30 EEEDLO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000595620298 468926011 /nfs/dbraw/zinc/92/60/11/468926011.db2.gz LOVIGYMFDMJLIM-XJKSGUPXSA-N 1 2 328.372 2.326 20 30 EEEDLO N#CC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000595620298 468926014 /nfs/dbraw/zinc/92/60/14/468926014.db2.gz LOVIGYMFDMJLIM-XJKSGUPXSA-N 1 2 328.372 2.326 20 30 EEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632677 468932105 /nfs/dbraw/zinc/93/21/05/468932105.db2.gz OXBQROUXQKUFRI-CQSZACIVSA-N 1 2 332.473 2.143 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3nc2OC)C1=O ZINC000572543888 468948116 /nfs/dbraw/zinc/94/81/16/468948116.db2.gz SNOOWBLJAPMKHW-QGZVFWFLSA-N 1 2 325.412 2.462 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc3ccccc3nc2OC)C1=O ZINC000572543888 468948122 /nfs/dbraw/zinc/94/81/22/468948122.db2.gz SNOOWBLJAPMKHW-QGZVFWFLSA-N 1 2 325.412 2.462 20 30 EEEDLO N#CC1(CNC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000562394968 468950221 /nfs/dbraw/zinc/95/02/21/468950221.db2.gz QHYVGNCMZWJLIF-UHFFFAOYSA-N 1 2 332.835 2.471 20 30 EEEDLO Cn1cc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cn1 ZINC000595725686 468971024 /nfs/dbraw/zinc/97/10/24/468971024.db2.gz HHRWJNFTJIJHDE-UHFFFAOYSA-N 1 2 347.426 2.004 20 30 EEEDLO COCC[N@H+](CCC#N)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000610511714 468990826 /nfs/dbraw/zinc/99/08/26/468990826.db2.gz LZGYUBLYGVNEJE-MJGOQNOKSA-N 1 2 332.444 2.304 20 30 EEEDLO COCC[N@@H+](CCC#N)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000610511714 468990834 /nfs/dbraw/zinc/99/08/34/468990834.db2.gz LZGYUBLYGVNEJE-MJGOQNOKSA-N 1 2 332.444 2.304 20 30 EEEDLO N#Cc1cccc(OCCCCC(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000598946631 469060835 /nfs/dbraw/zinc/06/08/35/469060835.db2.gz HSEMWAPGYQSPQD-MRXNPFEDSA-N 1 2 338.411 2.435 20 30 EEEDLO N#CCC1(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000602796856 469082992 /nfs/dbraw/zinc/08/29/92/469082992.db2.gz ZNMRBKLZFLVHJD-UHFFFAOYSA-N 1 2 328.372 2.046 20 30 EEEDLO C[C@H](CC#N)[NH2+]CC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000602859866 469126497 /nfs/dbraw/zinc/12/64/97/469126497.db2.gz BERGIJAENNRKQJ-LLVKDONJSA-N 1 2 329.322 2.136 20 30 EEEDLO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)CC#N)c(OC)c1 ZINC000602863592 469127607 /nfs/dbraw/zinc/12/76/07/469127607.db2.gz OSHHGFUFKHMHPO-CZUORRHYSA-N 1 2 331.416 2.259 20 30 EEEDLO N#Cc1nc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)sc1Cl ZINC000596054465 469130429 /nfs/dbraw/zinc/13/04/29/469130429.db2.gz OATMNVOLEOJOCD-CYBMUJFWSA-N 1 2 348.859 2.981 20 30 EEEDLO N#Cc1nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)sc1Cl ZINC000596054465 469130437 /nfs/dbraw/zinc/13/04/37/469130437.db2.gz OATMNVOLEOJOCD-CYBMUJFWSA-N 1 2 348.859 2.981 20 30 EEEDLO CC(C)(CO)[NH+]1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000611182194 469186127 /nfs/dbraw/zinc/18/61/27/469186127.db2.gz DSRFDMOQQSWMKN-UHFFFAOYSA-N 1 2 338.249 2.214 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCN(c3cccc(F)c3)CC2)cc1 ZINC000603015113 469223305 /nfs/dbraw/zinc/22/33/05/469223305.db2.gz ONCDXQRDDLMTFY-GOSISDBHSA-N 1 2 338.386 2.046 20 30 EEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000603024039 469228009 /nfs/dbraw/zinc/22/80/09/469228009.db2.gz FAOPBCLOOCFXDG-ZDUSSCGKSA-N 1 2 341.436 2.325 20 30 EEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000603024039 469228010 /nfs/dbraw/zinc/22/80/10/469228010.db2.gz FAOPBCLOOCFXDG-ZDUSSCGKSA-N 1 2 341.436 2.325 20 30 EEEDLO C[C@@H](C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)[NH+]1CCOCC1 ZINC000563385680 469237664 /nfs/dbraw/zinc/23/76/64/469237664.db2.gz LZNOQHWCBIRBPG-CGTJXYLNSA-N 1 2 327.428 2.005 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](Cc3nc4c(s3)CCC4)CC2)c1 ZINC000611410539 469242834 /nfs/dbraw/zinc/24/28/34/469242834.db2.gz HYBNLLZOCRYFIC-UHFFFAOYSA-N 1 2 325.441 2.221 20 30 EEEDLO N#C[C@]1(F)CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000615531238 469255934 /nfs/dbraw/zinc/25/59/34/469255934.db2.gz JJQFRGFJJDWIHT-QGZVFWFLSA-N 1 2 343.362 2.432 20 30 EEEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@](F)(C#N)C3)cn2c1 ZINC000615594739 469276276 /nfs/dbraw/zinc/27/62/76/469276276.db2.gz LUJDVTAUHFXVJQ-INIZCTEOSA-N 1 2 332.404 2.340 20 30 EEEDLO N#Cc1cc(N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)ncn1 ZINC000603421345 469390392 /nfs/dbraw/zinc/39/03/92/469390392.db2.gz ZVAPQSLBVAZLMB-UHFFFAOYSA-N 1 2 334.305 2.089 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@]3(CC(=O)c4ccccc4O3)C2)C1=O ZINC000625803062 469394493 /nfs/dbraw/zinc/39/44/93/469394493.db2.gz MVILJJRCWASJEH-UZLBHIALSA-N 1 2 340.423 2.273 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@]3(CC(=O)c4ccccc4O3)C2)C1=O ZINC000625803062 469394497 /nfs/dbraw/zinc/39/44/97/469394497.db2.gz MVILJJRCWASJEH-UZLBHIALSA-N 1 2 340.423 2.273 20 30 EEEDLO COc1cc(C)nc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)n1 ZINC000616753191 469494804 /nfs/dbraw/zinc/49/48/04/469494804.db2.gz HRXPDXDOXJGXEJ-UHFFFAOYSA-N 1 2 341.390 2.127 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC[C@@H]2CNC(C)=O)c1C ZINC000626154952 469520763 /nfs/dbraw/zinc/52/07/63/469520763.db2.gz BEUBJUVZQVXPIQ-QGZVFWFLSA-N 1 2 331.460 2.464 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCC[C@@H]2CNC(C)=O)c1C ZINC000626154952 469520766 /nfs/dbraw/zinc/52/07/66/469520766.db2.gz BEUBJUVZQVXPIQ-QGZVFWFLSA-N 1 2 331.460 2.464 20 30 EEEDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc(CC#N)c2)c2ccccc2C1 ZINC000619481740 469621135 /nfs/dbraw/zinc/62/11/35/469621135.db2.gz CBPZMULNPHLVQD-UHFFFAOYSA-N 1 2 341.436 2.393 20 30 EEEDLO C[N@H+]1CCN(S(=O)(=O)c2cccc(CC#N)c2)c2ccccc2C1 ZINC000619481740 469621137 /nfs/dbraw/zinc/62/11/37/469621137.db2.gz CBPZMULNPHLVQD-UHFFFAOYSA-N 1 2 341.436 2.393 20 30 EEEDLO N#Cc1ccc(CSCC(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1 ZINC000609030414 469889168 /nfs/dbraw/zinc/88/91/68/469889168.db2.gz ILMUOFHRQISEJS-UHFFFAOYSA-N 1 2 339.420 2.476 20 30 EEEDLO CC(C)(CNC(=O)c1cc2ccccc2n1CC#N)[NH+]1CCOCC1 ZINC000609159843 469898589 /nfs/dbraw/zinc/89/85/89/469898589.db2.gz ACLRJSOWHVNXSZ-UHFFFAOYSA-N 1 2 340.427 2.005 20 30 EEEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2c(C)cccc2C(C)C)nn1 ZINC000640771033 471023685 /nfs/dbraw/zinc/02/36/85/471023685.db2.gz DCQCAKRXUQRRMA-UHFFFAOYSA-N 1 2 339.443 2.462 20 30 EEEDLO C=CCN(C(=O)NCc1ccc[nH+]c1N1CCCC1)[C@@H](C)COC ZINC000665614848 472111917 /nfs/dbraw/zinc/11/19/17/472111917.db2.gz SMFBGNLZLVPQIC-HNNXBMFYSA-N 1 2 332.448 2.414 20 30 EEEDLO C=C[C@@H]1CCCCN1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000494723015 534548331 /nfs/dbraw/zinc/54/83/31/534548331.db2.gz TXEQXZYZFMTFRO-MRXNPFEDSA-N 1 2 330.432 2.168 20 30 EEEDLO C#CCSCCNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000154778277 527145347 /nfs/dbraw/zinc/14/53/47/527145347.db2.gz MVCBWXKNZZVNQI-HNNXBMFYSA-N 1 2 346.431 2.314 20 30 EEEDLO CCC[N@H+](CC(=O)N(CC)CCC#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000101549110 527886300 /nfs/dbraw/zinc/88/63/00/527886300.db2.gz GOULPXBQTNJIFV-MRXNPFEDSA-N 1 2 344.459 2.488 20 30 EEEDLO CCC[N@@H+](CC(=O)N(CC)CCC#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000101549110 527886309 /nfs/dbraw/zinc/88/63/09/527886309.db2.gz GOULPXBQTNJIFV-MRXNPFEDSA-N 1 2 344.459 2.488 20 30 EEEDLO COc1ccc([NH+]2CCC(NC(=O)N(C)C[C@H](C)C#N)CC2)cc1 ZINC000726712922 576291100 /nfs/dbraw/zinc/29/11/00/576291100.db2.gz GAELEUONWWSIRH-CQSZACIVSA-N 1 2 330.432 2.465 20 30 EEEDLO O=[N+]([O-])c1ccc(N[NH+]=Cc2ccc(N3CCOCC3)c(F)c2)nc1 ZINC000727255043 576415599 /nfs/dbraw/zinc/41/55/99/576415599.db2.gz IAXQUIWDYJUCHV-UHFFFAOYSA-N 1 2 345.334 2.412 20 30 EEEDLO C#CC[N@@H+](CCCS(=O)(=O)CCOC)[C@H]1CCc2ccccc21 ZINC000727828601 576451925 /nfs/dbraw/zinc/45/19/25/576451925.db2.gz WZVGOZLMLMZMMZ-SFHVURJKSA-N 1 2 335.469 2.060 20 30 EEEDLO C#CC[N@H+](CCCS(=O)(=O)CCOC)[C@H]1CCc2ccccc21 ZINC000727828601 576451927 /nfs/dbraw/zinc/45/19/27/576451927.db2.gz WZVGOZLMLMZMMZ-SFHVURJKSA-N 1 2 335.469 2.060 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)cn1 ZINC000728806133 576531593 /nfs/dbraw/zinc/53/15/93/576531593.db2.gz PUSAVJBZFFSGGB-HXUWFJFHSA-N 1 2 349.434 2.175 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)cn1 ZINC000728814178 576532473 /nfs/dbraw/zinc/53/24/73/576532473.db2.gz KZXDWSCPJDBEEQ-FQEVSTJZSA-N 1 2 349.434 2.175 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc2c(cc(F)cc2OC)s1 ZINC000730285486 577016495 /nfs/dbraw/zinc/01/64/95/577016495.db2.gz UCFZTGZXGZJEKE-NSHDSACASA-N 1 2 333.388 2.480 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc2c(cc(F)cc2OC)s1 ZINC000730285486 577016496 /nfs/dbraw/zinc/01/64/96/577016496.db2.gz UCFZTGZXGZJEKE-NSHDSACASA-N 1 2 333.388 2.480 20 30 EEEDLO COC(=O)[C@@H](C)C[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000734150186 577278291 /nfs/dbraw/zinc/27/82/91/577278291.db2.gz ZHSIQISEMFUSLN-RYUDHWBXSA-N 1 2 345.424 2.213 20 30 EEEDLO COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000734150186 577278293 /nfs/dbraw/zinc/27/82/93/577278293.db2.gz ZHSIQISEMFUSLN-RYUDHWBXSA-N 1 2 345.424 2.213 20 30 EEEDLO Cc1cc(=O)[nH]c(N=NC2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000734361627 577291410 /nfs/dbraw/zinc/29/14/10/577291410.db2.gz GNMIWIZXQNMECL-LBPRGKRZSA-N 1 2 326.404 2.196 20 30 EEEDLO Cc1cc(=O)[nH]c(N=NC2CC[N@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000734361627 577291411 /nfs/dbraw/zinc/29/14/11/577291411.db2.gz GNMIWIZXQNMECL-LBPRGKRZSA-N 1 2 326.404 2.196 20 30 EEEDLO Cc1cc(=O)nc(NN=C2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)[nH]1 ZINC000734361627 577291414 /nfs/dbraw/zinc/29/14/14/577291414.db2.gz GNMIWIZXQNMECL-LBPRGKRZSA-N 1 2 326.404 2.196 20 30 EEEDLO Cc1cc(=O)nc(NN=C2CC[N@H+](Cc3ccccn3)C[C@@H]2C)[nH]1 ZINC000734361627 577291415 /nfs/dbraw/zinc/29/14/15/577291415.db2.gz GNMIWIZXQNMECL-LBPRGKRZSA-N 1 2 326.404 2.196 20 30 EEEDLO CC#CCCNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000776147935 577453226 /nfs/dbraw/zinc/45/32/26/577453226.db2.gz ODTBVMSTISXAIO-UHFFFAOYSA-N 1 2 328.460 2.434 20 30 EEEDLO CC#CCCNC(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000776147935 577453227 /nfs/dbraw/zinc/45/32/27/577453227.db2.gz ODTBVMSTISXAIO-UHFFFAOYSA-N 1 2 328.460 2.434 20 30 EEEDLO C#C[C@H](NC(=O)NCCNc1ccc2ccccc2[nH+]1)[C@@H]1CCCO1 ZINC000776229077 577455238 /nfs/dbraw/zinc/45/52/38/577455238.db2.gz UKSURMSFUSZMNI-RDJZCZTQSA-N 1 2 338.411 2.127 20 30 EEEDLO C=CCn1nnn(C[N@@H+](C)[C@H]2C[C@H](OC)C2(CC)CC)c1=S ZINC000765124474 577495608 /nfs/dbraw/zinc/49/56/08/577495608.db2.gz MGIBPCCAYXXKIB-STQMWFEESA-N 1 2 325.482 2.478 20 30 EEEDLO C=CCn1nnn(C[N@H+](C)[C@H]2C[C@H](OC)C2(CC)CC)c1=S ZINC000765124474 577495609 /nfs/dbraw/zinc/49/56/09/577495609.db2.gz MGIBPCCAYXXKIB-STQMWFEESA-N 1 2 325.482 2.478 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)O[C@@H](Cc2ccc(F)cc2F)C(C)=O)CC1 ZINC000768692119 577560954 /nfs/dbraw/zinc/56/09/54/577560954.db2.gz CJTGVQIUHWHNQK-SFHVURJKSA-N 1 2 349.377 2.353 20 30 EEEDLO C[C@@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)[C@H]1C[N@H+](C)CCO1 ZINC000769796894 577584630 /nfs/dbraw/zinc/58/46/30/577584630.db2.gz WSRXBNMXVGMALL-QMTHXVAHSA-N 1 2 338.864 2.217 20 30 EEEDLO C[C@@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000769796894 577584631 /nfs/dbraw/zinc/58/46/31/577584631.db2.gz WSRXBNMXVGMALL-QMTHXVAHSA-N 1 2 338.864 2.217 20 30 EEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000769976309 577588336 /nfs/dbraw/zinc/58/83/36/577588336.db2.gz YXIDPKAPYADGMJ-AWEZNQCLSA-N 1 2 327.428 2.251 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000769976309 577588337 /nfs/dbraw/zinc/58/83/37/577588337.db2.gz YXIDPKAPYADGMJ-AWEZNQCLSA-N 1 2 327.428 2.251 20 30 EEEDLO COc1cc(C)c(C[N@H+](C)Cn2ccc(C)c(C#N)c2=O)cc1OC ZINC000758179586 577617687 /nfs/dbraw/zinc/61/76/87/577617687.db2.gz VRSRGDKAZTVAJX-UHFFFAOYSA-N 1 2 341.411 2.444 20 30 EEEDLO COc1cc(C)c(C[N@@H+](C)Cn2ccc(C)c(C#N)c2=O)cc1OC ZINC000758179586 577617688 /nfs/dbraw/zinc/61/76/88/577617688.db2.gz VRSRGDKAZTVAJX-UHFFFAOYSA-N 1 2 341.411 2.444 20 30 EEEDLO C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2C#N)C[C@H]1n1cc[nH+]c1 ZINC000759274592 577640358 /nfs/dbraw/zinc/64/03/58/577640358.db2.gz UTSFPPMXNLIOSK-SWLSCSKDSA-N 1 2 348.403 2.166 20 30 EEEDLO CC[C@@H]1C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C[C@H]1O ZINC000761128568 577677503 /nfs/dbraw/zinc/67/75/03/577677503.db2.gz WXHWQSJDGZZBJS-MBNYWOFBSA-N 1 2 329.425 2.175 20 30 EEEDLO CC[C@@H]1C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C[C@H]1O ZINC000761128568 577677504 /nfs/dbraw/zinc/67/75/04/577677504.db2.gz WXHWQSJDGZZBJS-MBNYWOFBSA-N 1 2 329.425 2.175 20 30 EEEDLO CCO[C@@H](C)c1noc(C[N@H+](C)C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000763409408 577720720 /nfs/dbraw/zinc/72/07/20/577720720.db2.gz DZMAYJPKAYFTSF-WFASDCNBSA-N 1 2 330.388 2.204 20 30 EEEDLO CCO[C@@H](C)c1noc(C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000763409408 577720721 /nfs/dbraw/zinc/72/07/21/577720721.db2.gz DZMAYJPKAYFTSF-WFASDCNBSA-N 1 2 330.388 2.204 20 30 EEEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)c2cccc(F)c2C#N)c1C ZINC000751058004 577747623 /nfs/dbraw/zinc/74/76/23/577747623.db2.gz MXBMWSFQTKZJHV-UHFFFAOYSA-N 1 2 349.387 2.196 20 30 EEEDLO Cc1cccn2c(C=CC(=O)C3=C(C)N=C4N=NNN4[C@H]3C)c[nH+]c12 ZINC000752878302 577777460 /nfs/dbraw/zinc/77/74/60/577777460.db2.gz CHHCSMKBLOBVPI-DGMVEKRQSA-N 1 2 335.371 2.445 20 30 EEEDLO CN(CCO)c1ccc(C=[NH+]Nc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000757583057 577860593 /nfs/dbraw/zinc/86/05/93/577860593.db2.gz JBVNFLOVIOTZIB-UHFFFAOYSA-N 1 2 337.383 2.210 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000744422260 577897418 /nfs/dbraw/zinc/89/74/18/577897418.db2.gz HZWPEWXUWZFCBR-UHFFFAOYSA-N 1 2 326.318 2.019 20 30 EEEDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1nnc(-c2cccc(C#N)c2)o1 ZINC000745078350 577907684 /nfs/dbraw/zinc/90/76/84/577907684.db2.gz CJZSYURXPSHKRZ-AWEZNQCLSA-N 1 2 326.356 2.136 20 30 EEEDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1nnc(-c2cccc(C#N)c2)o1 ZINC000745078350 577907685 /nfs/dbraw/zinc/90/76/85/577907685.db2.gz CJZSYURXPSHKRZ-AWEZNQCLSA-N 1 2 326.356 2.136 20 30 EEEDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000745085294 577908465 /nfs/dbraw/zinc/90/84/65/577908465.db2.gz ZCXQFYAZCCOXDK-STQMWFEESA-N 1 2 335.429 2.045 20 30 EEEDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000745085294 577908466 /nfs/dbraw/zinc/90/84/66/577908466.db2.gz ZCXQFYAZCCOXDK-STQMWFEESA-N 1 2 335.429 2.045 20 30 EEEDLO C[N@H+](CC(F)F)C1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000746481535 577928525 /nfs/dbraw/zinc/92/85/25/577928525.db2.gz LLPRBZZGRHHWQA-UHFFFAOYSA-N 1 2 336.386 2.158 20 30 EEEDLO C[N@@H+](CC(F)F)C1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000746481535 577928526 /nfs/dbraw/zinc/92/85/26/577928526.db2.gz LLPRBZZGRHHWQA-UHFFFAOYSA-N 1 2 336.386 2.158 20 30 EEEDLO CC[N@H+](CCc1ccccn1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000747959953 577953021 /nfs/dbraw/zinc/95/30/21/577953021.db2.gz WAERTIHDIVUMSU-UHFFFAOYSA-N 1 2 343.452 2.292 20 30 EEEDLO CC[N@@H+](CCc1ccccn1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000747959953 577953022 /nfs/dbraw/zinc/95/30/22/577953022.db2.gz WAERTIHDIVUMSU-UHFFFAOYSA-N 1 2 343.452 2.292 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(Cc3ccccc3)cc2)CC1 ZINC000749874481 577983171 /nfs/dbraw/zinc/98/31/71/577983171.db2.gz ROOHFBHXTSGJRU-UHFFFAOYSA-N 1 2 348.446 2.434 20 30 EEEDLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000741148020 578113726 /nfs/dbraw/zinc/11/37/26/578113726.db2.gz NSGIWJGWKSFQPE-CJNGLKHVSA-N 1 2 329.400 2.303 20 30 EEEDLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000741148020 578113727 /nfs/dbraw/zinc/11/37/27/578113727.db2.gz NSGIWJGWKSFQPE-CJNGLKHVSA-N 1 2 329.400 2.303 20 30 EEEDLO N#Cc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c(F)c1 ZINC000822826084 607481305 /nfs/dbraw/zinc/48/13/05/607481305.db2.gz UJEQBUWTLHZOKZ-UHFFFAOYSA-N 1 2 326.310 2.306 20 30 EEEDLO C[C@@H](NC(=O)c1ccncc1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969203304 674691806 /nfs/dbraw/zinc/69/18/06/674691806.db2.gz RTVOZSVDMVWPCK-CYBMUJFWSA-N 1 2 338.386 2.343 20 30 EEEDLO Cc1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3cc(C#N)ccc3F)C2)no1 ZINC000969263772 674764466 /nfs/dbraw/zinc/76/44/66/674764466.db2.gz PJYNZKITPFPHFJ-LBPRGKRZSA-N 1 2 342.374 2.244 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2c(C)n[nH]c2C(F)(F)F)C1 ZINC000969365912 674899197 /nfs/dbraw/zinc/89/91/97/674899197.db2.gz IFMHRGUYSWFUPP-SECBINFHSA-N 1 2 336.745 2.294 20 30 EEEDLO C[C@@H](NC(=O)[C@@H]1CCCOC1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969388112 674932476 /nfs/dbraw/zinc/93/24/76/674932476.db2.gz BYMOHOUESLXNJX-CZUORRHYSA-N 1 2 345.418 2.060 20 30 EEEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCC#C[C@@H]1CCCCO1 ZINC000891112571 676070911 /nfs/dbraw/zinc/07/09/11/676070911.db2.gz LZRNJCJIRDSOKI-QWHCGFSZSA-N 1 2 329.322 2.065 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970682046 676074039 /nfs/dbraw/zinc/07/40/39/676074039.db2.gz QJYBINYYMFNGLS-GFCCVEGCSA-N 1 2 342.374 2.244 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC000970827166 676187088 /nfs/dbraw/zinc/18/70/88/676187088.db2.gz XELYMRYWWNSFKT-CYBMUJFWSA-N 1 2 333.863 2.482 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2COc3ccccc3O2)C1 ZINC000970834311 676189087 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20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ncnn2C(C)C)C1 ZINC001029801610 687127612 /nfs/dbraw/zinc/12/76/12/687127612.db2.gz PFPNXLZEDXGKPG-HNNXBMFYSA-N 1 2 333.480 2.352 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H]2CC)CC1 ZINC000985580833 687211324 /nfs/dbraw/zinc/21/13/24/687211324.db2.gz XKOUWOPCRGQBCG-DLBZAZTESA-N 1 2 344.459 2.194 20 30 EEEDLO COc1ccccc1[C@H](C)NC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000022183516 687281657 /nfs/dbraw/zinc/28/16/57/687281657.db2.gz PUKWLOMJHNZYML-LBPRGKRZSA-N 1 2 345.374 2.349 20 30 EEEDLO C[N@H+](Cc1nccs1)[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001027372730 687771038 /nfs/dbraw/zinc/77/10/38/687771038.db2.gz XPTMBTFSEYGLKT-CYBMUJFWSA-N 1 2 329.429 2.079 20 30 EEEDLO C[N@@H+](Cc1nccs1)[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001027372730 687771041 /nfs/dbraw/zinc/77/10/41/687771041.db2.gz XPTMBTFSEYGLKT-CYBMUJFWSA-N 1 2 329.429 2.079 20 30 EEEDLO C[C@H](c1nc(C2CC2)no1)[N@H+](C)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027402032 687933774 /nfs/dbraw/zinc/93/37/74/687933774.db2.gz LBIGJINQUDIESJ-CJNGLKHVSA-N 1 2 342.443 2.344 20 30 EEEDLO C[C@H](c1nc(C2CC2)no1)[N@@H+](C)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027402032 687933779 /nfs/dbraw/zinc/93/37/79/687933779.db2.gz LBIGJINQUDIESJ-CJNGLKHVSA-N 1 2 342.443 2.344 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([NH2+]Cc2nnc(CC)o2)[C@@H]1C ZINC000986363955 688534526 /nfs/dbraw/zinc/53/45/26/688534526.db2.gz LFUGALOJRNWMIJ-UONOGXRCSA-N 1 2 343.431 2.012 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H](CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001059748071 689015597 /nfs/dbraw/zinc/01/55/97/689015597.db2.gz XZMZUULSKZOQMV-HZPDHXFCSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H](CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001059748071 689015599 /nfs/dbraw/zinc/01/55/99/689015599.db2.gz XZMZUULSKZOQMV-HZPDHXFCSA-N 1 2 346.475 2.299 20 30 EEEDLO CO[C@H](C[NH+]1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1)c1ccccc1 ZINC001042628131 689059829 /nfs/dbraw/zinc/05/98/29/689059829.db2.gz CCWRSLRNEAGJDX-GOSISDBHSA-N 1 2 338.411 2.030 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059819663 689933073 /nfs/dbraw/zinc/93/30/73/689933073.db2.gz LUBPRNRRVBHFHK-HNNXBMFYSA-N 1 2 346.475 2.299 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059819663 689933075 /nfs/dbraw/zinc/93/30/75/689933075.db2.gz LUBPRNRRVBHFHK-HNNXBMFYSA-N 1 2 346.475 2.299 20 30 EEEDLO Cc1ncc(C(=O)N2C[C@H]([NH2+]Cc3cc(F)ccc3C#N)C[C@H]2C)[nH]1 ZINC000988371081 690563904 /nfs/dbraw/zinc/56/39/04/690563904.db2.gz VVOAAGPSYUTHHZ-BDJLRTHQSA-N 1 2 341.390 2.122 20 30 EEEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H](c3ccnn3C)C2)cc1 ZINC000897557864 691608310 /nfs/dbraw/zinc/60/83/10/691608310.db2.gz CCOPYCMVYDKIMK-RDTXWAMCSA-N 1 2 326.400 2.284 20 30 EEEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H](c3ccnn3C)C2)cc1 ZINC000897557864 691608312 /nfs/dbraw/zinc/60/83/12/691608312.db2.gz CCOPYCMVYDKIMK-RDTXWAMCSA-N 1 2 326.400 2.284 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@@]34CCOC4)CC2)s1 ZINC000989440984 691780217 /nfs/dbraw/zinc/78/02/17/691780217.db2.gz YWBDQVXESVUKMR-SJLPKXTDSA-N 1 2 345.468 2.081 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@@]34CCOC4)CC2)s1 ZINC000989440984 691780221 /nfs/dbraw/zinc/78/02/21/691780221.db2.gz YWBDQVXESVUKMR-SJLPKXTDSA-N 1 2 345.468 2.081 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cn2cc3ccccc3n2)CC1 ZINC000989507553 691990618 /nfs/dbraw/zinc/99/06/18/691990618.db2.gz RTRJCGBHEPTIGW-UHFFFAOYSA-N 1 2 332.835 2.323 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cn2cc3ccccc3n2)CC1 ZINC000989507553 691990620 /nfs/dbraw/zinc/99/06/20/691990620.db2.gz RTRJCGBHEPTIGW-UHFFFAOYSA-N 1 2 332.835 2.323 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H](C)Cc2c(C)n[nH]c2C)CC1 ZINC000989696475 692183752 /nfs/dbraw/zinc/18/37/52/692183752.db2.gz INNDNVVUHVYOOG-GFCCVEGCSA-N 1 2 338.883 2.492 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H](C)Cc2c(C)n[nH]c2C)CC1 ZINC000989696475 692183755 /nfs/dbraw/zinc/18/37/55/692183755.db2.gz INNDNVVUHVYOOG-GFCCVEGCSA-N 1 2 338.883 2.492 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@H]23)co1 ZINC000990159138 692704734 /nfs/dbraw/zinc/70/47/34/692704734.db2.gz BQTCRGKPBGWHQI-FUHWJXTLSA-N 1 2 339.399 2.110 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@H]23)co1 ZINC000990159138 692704740 /nfs/dbraw/zinc/70/47/40/692704740.db2.gz BQTCRGKPBGWHQI-FUHWJXTLSA-N 1 2 339.399 2.110 20 30 EEEDLO Cc1nccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)CC2(C)C)n1 ZINC000977604030 692813113 /nfs/dbraw/zinc/81/31/13/692813113.db2.gz PTPBLGNVEICKBA-GOSISDBHSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1nccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC2(C)C)n1 ZINC000977604030 692813117 /nfs/dbraw/zinc/81/31/17/692813117.db2.gz PTPBLGNVEICKBA-GOSISDBHSA-N 1 2 349.438 2.297 20 30 EEEDLO C[C@H]1C[C@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)CCO1 ZINC001032076348 1192222136 /nfs/dbraw/zinc/22/21/36/1192222136.db2.gz BZQPYHKMPLVBOS-XJKSGUPXSA-N 1 2 345.418 2.060 20 30 EEEDLO CCc1noc(C)c1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001032181379 1192831520 /nfs/dbraw/zinc/83/15/20/1192831520.db2.gz HIANREDEKRCNML-UHFFFAOYSA-N 1 2 337.423 2.259 20 30 EEEDLO Cc1ccc2nc(C(=O)NCC[N@@H+](C)Cc3ccccc3C#N)cn2c1 ZINC001267203244 1178489911 /nfs/dbraw/zinc/48/99/11/1178489911.db2.gz QHUZENVFBNVELO-UHFFFAOYSA-N 1 2 347.422 2.376 20 30 EEEDLO Cc1ccc2nc(C(=O)NCC[N@H+](C)Cc3ccccc3C#N)cn2c1 ZINC001267203244 1178489916 /nfs/dbraw/zinc/48/99/16/1178489916.db2.gz QHUZENVFBNVELO-UHFFFAOYSA-N 1 2 347.422 2.376 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000944182510 1192935212 /nfs/dbraw/zinc/93/52/12/1192935212.db2.gz RTCWHDHOEUVXSV-CQSZACIVSA-N 1 2 340.427 2.496 20 30 EEEDLO C=CCCCC(=O)N[C@H](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001745561949 1182105716 /nfs/dbraw/zinc/10/57/16/1182105716.db2.gz JUSBHNDJFDQUHA-CQSZACIVSA-N 1 2 332.448 2.052 20 30 EEEDLO CCOc1cccnc1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001032232922 1193357196 /nfs/dbraw/zinc/35/71/96/1193357196.db2.gz MKRVAHKUSWKATQ-UHFFFAOYSA-N 1 2 349.434 2.194 20 30 EEEDLO Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C#N)n(C)c2)nc1 ZINC001271683185 1186369615 /nfs/dbraw/zinc/36/96/15/1186369615.db2.gz LWSCXWCTWOSEIG-CALCHBBNSA-N 1 2 349.438 2.089 20 30 EEEDLO Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C#N)n(C)c2)nc1 ZINC001271683185 1186369618 /nfs/dbraw/zinc/36/96/18/1186369618.db2.gz LWSCXWCTWOSEIG-CALCHBBNSA-N 1 2 349.438 2.089 20 30 EEEDLO Cc1csc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)n1 ZINC001088529193 1187169945 /nfs/dbraw/zinc/16/99/45/1187169945.db2.gz KMKUHIPJTOOPMJ-YPMHNXCESA-N 1 2 329.429 2.044 20 30 EEEDLO Cc1csc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)n1 ZINC001088529193 1187169948 /nfs/dbraw/zinc/16/99/48/1187169948.db2.gz KMKUHIPJTOOPMJ-YPMHNXCESA-N 1 2 329.429 2.044 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1c(F)cccc1NC(N)=O ZINC001482632590 1187459533 /nfs/dbraw/zinc/45/95/33/1187459533.db2.gz QDNUUECROWKEBO-UHFFFAOYSA-N 1 2 342.802 2.073 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1c(F)cccc1NC(N)=O ZINC001482632590 1187459536 /nfs/dbraw/zinc/45/95/36/1187459536.db2.gz QDNUUECROWKEBO-UHFFFAOYSA-N 1 2 342.802 2.073 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2-c2ccncc2)[C@H]1C ZINC001088701642 1188310031 /nfs/dbraw/zinc/31/00/31/1188310031.db2.gz CMNBMAWVXMUWCS-DOMZBBRYSA-N 1 2 345.834 2.417 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2-c2ccncc2)[C@H]1C ZINC001088701642 1188310034 /nfs/dbraw/zinc/31/00/34/1188310034.db2.gz CMNBMAWVXMUWCS-DOMZBBRYSA-N 1 2 345.834 2.417 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C)n(C)n4)C[C@H]32)cc1 ZINC001076117145 1188727351 /nfs/dbraw/zinc/72/73/51/1188727351.db2.gz FPRBZMAFPNLNLA-AZUAARDMSA-N 1 2 348.450 2.056 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(C)n(C)n4)C[C@H]32)cc1 ZINC001076117145 1188727354 /nfs/dbraw/zinc/72/73/54/1188727354.db2.gz FPRBZMAFPNLNLA-AZUAARDMSA-N 1 2 348.450 2.056 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3n[nH]c4ccccc43)[C@@H]2C1 ZINC001076523951 1188966481 /nfs/dbraw/zinc/96/64/81/1188966481.db2.gz RIEJYYYHFYIXAZ-SWLSCSKDSA-N 1 2 330.819 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccnc(-n2cccn2)c1 ZINC001483384818 1190426846 /nfs/dbraw/zinc/42/68/46/1190426846.db2.gz OOTUYFSXFJBQLZ-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccnc(-n2cccn2)c1 ZINC001483384818 1190426850 /nfs/dbraw/zinc/42/68/50/1190426850.db2.gz OOTUYFSXFJBQLZ-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO COCC[N@H+](CCNC(=O)[C@@H](C)C#N)[C@H](C)c1cc(F)ccc1F ZINC001486427136 1193941469 /nfs/dbraw/zinc/94/14/69/1193941469.db2.gz JXQGHXXRGQFJLE-QWHCGFSZSA-N 1 2 339.386 2.250 20 30 EEEDLO COCC[N@@H+](CCNC(=O)[C@@H](C)C#N)[C@H](C)c1cc(F)ccc1F ZINC001486427136 1193941474 /nfs/dbraw/zinc/94/14/74/1193941474.db2.gz JXQGHXXRGQFJLE-QWHCGFSZSA-N 1 2 339.386 2.250 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(C)cnc1Cl)C2 ZINC001272973750 1194282730 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/nfs/dbraw/zinc/15/53/68/1195155368.db2.gz IYABQFNECSADSO-QZTJIDSGSA-N 1 2 345.418 2.299 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCOC2)C1 ZINC001033773166 1195222519 /nfs/dbraw/zinc/22/25/19/1195222519.db2.gz OLAJREKWVIYKHF-ZIAGYGMSSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCOC2)C1 ZINC001033773166 1195222520 /nfs/dbraw/zinc/22/25/20/1195222520.db2.gz OLAJREKWVIYKHF-ZIAGYGMSSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001033833599 1195348988 /nfs/dbraw/zinc/34/89/88/1195348988.db2.gz QMNTZZMGZHVBQS-KURKYZTESA-N 1 2 347.459 2.387 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001033833599 1195348990 /nfs/dbraw/zinc/34/89/90/1195348990.db2.gz QMNTZZMGZHVBQS-KURKYZTESA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCn3nccc32)C1 ZINC001033881325 1195437894 /nfs/dbraw/zinc/43/78/94/1195437894.db2.gz PRFGCGXRAVTFGD-GJZGRUSLSA-N 1 2 336.867 2.436 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCn3nccc32)C1 ZINC001033881325 1195437896 /nfs/dbraw/zinc/43/78/96/1195437896.db2.gz PRFGCGXRAVTFGD-GJZGRUSLSA-N 1 2 336.867 2.436 20 30 EEEDLO CCN(C(=O)c1cnco1)[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033910092 1195485386 /nfs/dbraw/zinc/48/53/86/1195485386.db2.gz FDZVSRYMBKZAPH-HNNXBMFYSA-N 1 2 342.374 2.422 20 30 EEEDLO CCN(C(=O)c1cnco1)[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033910092 1195485387 /nfs/dbraw/zinc/48/53/87/1195485387.db2.gz FDZVSRYMBKZAPH-HNNXBMFYSA-N 1 2 342.374 2.422 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001033957620 1195559509 /nfs/dbraw/zinc/55/95/09/1195559509.db2.gz LYRUPPIDHOSTHM-ZDUSSCGKSA-N 1 2 339.871 2.322 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001033957620 1195559512 /nfs/dbraw/zinc/55/95/12/1195559512.db2.gz LYRUPPIDHOSTHM-ZDUSSCGKSA-N 1 2 339.871 2.322 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001034046289 1195697649 /nfs/dbraw/zinc/69/76/49/1195697649.db2.gz ROYBDIBWIZXBKR-UKRRQHHQSA-N 1 2 336.867 2.190 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001034046289 1195697650 /nfs/dbraw/zinc/69/76/50/1195697650.db2.gz ROYBDIBWIZXBKR-UKRRQHHQSA-N 1 2 336.867 2.190 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001034197463 1195933711 /nfs/dbraw/zinc/93/37/11/1195933711.db2.gz KGMRUGLHGILMEV-MRXNPFEDSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001034197463 1195933717 /nfs/dbraw/zinc/93/37/17/1195933717.db2.gz KGMRUGLHGILMEV-MRXNPFEDSA-N 1 2 341.390 2.205 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCCC[N@@H+](Cc2nccn2C)C1 ZINC001034246819 1195979242 /nfs/dbraw/zinc/97/92/42/1195979242.db2.gz GVSZNTVBZQFVAS-INIZCTEOSA-N 1 2 341.459 2.192 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCCC[N@H+](Cc2nccn2C)C1 ZINC001034246819 1195979245 /nfs/dbraw/zinc/97/92/45/1195979245.db2.gz GVSZNTVBZQFVAS-INIZCTEOSA-N 1 2 341.459 2.192 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001034247332 1195980585 /nfs/dbraw/zinc/98/05/85/1195980585.db2.gz MNPJJEGUSRUVRP-INIZCTEOSA-N 1 2 341.459 2.192 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCCC[N@H+](Cc2ccn(C)n2)C1 ZINC001034247332 1195980589 /nfs/dbraw/zinc/98/05/89/1195980589.db2.gz MNPJJEGUSRUVRP-INIZCTEOSA-N 1 2 341.459 2.192 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CCCC[C@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001129019968 1196798023 /nfs/dbraw/zinc/79/80/23/1196798023.db2.gz FHAQSPHUXPPVEA-KURKYZTESA-N 1 2 345.491 2.249 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CCCC[C@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001129019968 1196798025 /nfs/dbraw/zinc/79/80/25/1196798025.db2.gz FHAQSPHUXPPVEA-KURKYZTESA-N 1 2 345.491 2.249 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc([C@H](C)OC)no1 ZINC001035014565 1196984920 /nfs/dbraw/zinc/98/49/20/1196984920.db2.gz NCVXEOVAHWJYLM-QWHCGFSZSA-N 1 2 336.436 2.070 20 30 EEEDLO C=CCN1C(=O)COCC12C[NH+](Cc1ccc(OC)c(C(C)C)c1)C2 ZINC001273186711 1197419088 /nfs/dbraw/zinc/41/90/88/1197419088.db2.gz CATBMPKKHZNDPV-UHFFFAOYSA-N 1 2 344.455 2.418 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ncc(C)s1)C2 ZINC001273222460 1197566151 /nfs/dbraw/zinc/56/61/51/1197566151.db2.gz TZSSSCIICVMYEF-QGZVFWFLSA-N 1 2 335.473 2.079 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ncc(C)s1)C2 ZINC001273222460 1197566153 /nfs/dbraw/zinc/56/61/53/1197566153.db2.gz TZSSSCIICVMYEF-QGZVFWFLSA-N 1 2 335.473 2.079 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001095321082 1197819989 /nfs/dbraw/zinc/81/99/89/1197819989.db2.gz UIUONWZMHJCVOX-KBPBESRZSA-N 1 2 342.447 2.369 20 30 EEEDLO C=C(C)[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(C)c(C)o3)C[C@H]21)OCC ZINC001114350987 1197939744 /nfs/dbraw/zinc/93/97/44/1197939744.db2.gz JNVTWLCXBZLFJW-CYJAXWMASA-N 1 2 347.459 2.209 20 30 EEEDLO C=C(C)[C@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(C)c(C)o3)C[C@H]21)OCC ZINC001114350987 1197939750 /nfs/dbraw/zinc/93/97/50/1197939750.db2.gz JNVTWLCXBZLFJW-CYJAXWMASA-N 1 2 347.459 2.209 20 30 EEEDLO CC(C)(O)C[NH+]1CCN(c2c(Br)cccc2C#N)CC1 ZINC000865500074 1198249201 /nfs/dbraw/zinc/24/92/01/1198249201.db2.gz QAGKBVNFCPNPCZ-UHFFFAOYSA-N 1 2 338.249 2.214 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(COC)c(F)c1 ZINC001018214179 1224478109 /nfs/dbraw/zinc/47/81/09/1224478109.db2.gz BWWBCJGLYIJLNE-CALCHBBNSA-N 1 2 330.403 2.284 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(COC)c(F)c1 ZINC001018214179 1224478112 /nfs/dbraw/zinc/47/81/12/1224478112.db2.gz BWWBCJGLYIJLNE-CALCHBBNSA-N 1 2 330.403 2.284 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1CC(=O)NC1CCCC1 ZINC001132033637 1199218297 /nfs/dbraw/zinc/21/82/97/1199218297.db2.gz JBHXDKNHTRSUCI-WBVHZDCISA-N 1 2 347.503 2.064 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)C[N@H+]1CC(=O)NC1CCCC1 ZINC001132033637 1199218301 /nfs/dbraw/zinc/21/83/01/1199218301.db2.gz JBHXDKNHTRSUCI-WBVHZDCISA-N 1 2 347.503 2.064 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2ccoc2C2CC2)CC[C@@H]1C ZINC001132238942 1199487041 /nfs/dbraw/zinc/48/70/41/1199487041.db2.gz XIERIFYCMGCJGG-DZGCQCFKSA-N 1 2 345.443 2.042 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2ccoc2C2CC2)CC[C@@H]1C ZINC001132238942 1199487044 /nfs/dbraw/zinc/48/70/44/1199487044.db2.gz XIERIFYCMGCJGG-DZGCQCFKSA-N 1 2 345.443 2.042 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COCc2ccncc2)CC[C@@H]1C ZINC001132384462 1199646762 /nfs/dbraw/zinc/64/67/62/1199646762.db2.gz NVGWKYLBTWSNNK-HOCLYGCPSA-N 1 2 337.851 2.320 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COCc2ccncc2)CC[C@@H]1C ZINC001132384462 1199646765 /nfs/dbraw/zinc/64/67/65/1199646765.db2.gz NVGWKYLBTWSNNK-HOCLYGCPSA-N 1 2 337.851 2.320 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2sccc2CC)CC[C@@H]1C ZINC001132503666 1199786466 /nfs/dbraw/zinc/78/64/66/1199786466.db2.gz CPXWCXQYANJSBM-ZFWWWQNUSA-N 1 2 349.500 2.195 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2sccc2CC)CC[C@@H]1C ZINC001132503666 1199786468 /nfs/dbraw/zinc/78/64/68/1199786468.db2.gz CPXWCXQYANJSBM-ZFWWWQNUSA-N 1 2 349.500 2.195 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2(CC)CCCCC2)CC[C@H]1C ZINC001132509118 1199809536 /nfs/dbraw/zinc/80/95/36/1199809536.db2.gz RMQGFLOSTHEXBD-SJORKVTESA-N 1 2 347.503 2.065 20 30 EEEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C2(CC)CCCCC2)CC[C@H]1C ZINC001132509118 1199809541 /nfs/dbraw/zinc/80/95/41/1199809541.db2.gz RMQGFLOSTHEXBD-SJORKVTESA-N 1 2 347.503 2.065 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccoc2C(C)C)CC[C@H]1C ZINC001132530377 1199827958 /nfs/dbraw/zinc/82/79/58/1199827958.db2.gz XNZDKILLUJPULM-CABCVRRESA-N 1 2 347.459 2.288 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2ccoc2C(C)C)CC[C@H]1C ZINC001132530377 1199827962 /nfs/dbraw/zinc/82/79/62/1199827962.db2.gz XNZDKILLUJPULM-CABCVRRESA-N 1 2 347.459 2.288 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1noc(-c2ccccc2)n1 ZINC001132577684 1199875010 /nfs/dbraw/zinc/87/50/10/1199875010.db2.gz YVAYUJIOXOJCIW-KBPBESRZSA-N 1 2 328.416 2.401 20 30 EEEDLO C=C(Cl)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001018317011 1224601597 /nfs/dbraw/zinc/60/15/97/1224601597.db2.gz FTDQYRMTKXFMIK-IXDOHACOSA-N 1 2 348.878 2.112 20 30 EEEDLO COc1cccc([C@@H]2CN(C(=O)c3cc(C#N)ccc3F)CC[NH2+]2)c1 ZINC000870154295 1200517389 /nfs/dbraw/zinc/51/73/89/1200517389.db2.gz IYZHMPCIIPYXAS-SFHVURJKSA-N 1 2 339.370 2.493 20 30 EEEDLO C#CCOc1cc(F)ccc1NC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000878801265 1200685934 /nfs/dbraw/zinc/68/59/34/1200685934.db2.gz QUPZNJKGCBIUAT-HNNXBMFYSA-N 1 2 349.406 2.070 20 30 EEEDLO C#CCOc1cc(F)ccc1NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000878801265 1200685939 /nfs/dbraw/zinc/68/59/39/1200685939.db2.gz QUPZNJKGCBIUAT-HNNXBMFYSA-N 1 2 349.406 2.070 20 30 EEEDLO C=CCCC1(C(=O)NCC[NH2+]Cc2nc([C@@H](C)OCC)no2)CC1 ZINC001133374364 1200812264 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1243193156 /nfs/dbraw/zinc/19/31/56/1243193156.db2.gz OBIWXSZTHBWZFA-CRAIPNDOSA-N 1 2 332.448 2.321 20 30 EEEDLO N#Cc1c(F)cccc1N1CCCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001097466672 1244220541 /nfs/dbraw/zinc/22/05/41/1244220541.db2.gz NGERMRNPUFENPW-AWEZNQCLSA-N 1 2 341.390 2.138 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001055343934 1250131675 /nfs/dbraw/zinc/13/16/75/1250131675.db2.gz MJLDMGPREJCNLM-ZACQAIPSSA-N 1 2 344.459 2.107 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1oc(C2CC2)nc1C ZINC001051155367 1245060041 /nfs/dbraw/zinc/06/00/41/1245060041.db2.gz FRGPOQQHGHJCAO-OAHLLOKOSA-N 1 2 333.432 2.257 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1oc(C2CC2)nc1C ZINC001051155367 1245060046 /nfs/dbraw/zinc/06/00/46/1245060046.db2.gz FRGPOQQHGHJCAO-OAHLLOKOSA-N 1 2 333.432 2.257 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(OC)c(OC)cc1C ZINC001051256414 1245446524 /nfs/dbraw/zinc/44/65/24/1245446524.db2.gz XMSUUZQBFVBGOT-HNNXBMFYSA-N 1 2 348.443 2.019 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(OC)c(OC)cc1C ZINC001051256414 1245446528 /nfs/dbraw/zinc/44/65/28/1245446528.db2.gz XMSUUZQBFVBGOT-HNNXBMFYSA-N 1 2 348.443 2.019 20 30 EEEDLO C=C(C)CCC(=O)NCCN(CCC)c1[nH+]cnc2c1cnn2C ZINC001101191001 1245499760 /nfs/dbraw/zinc/49/97/60/1245499760.db2.gz JYIFCWHZQLSIQP-UHFFFAOYSA-N 1 2 330.436 2.052 20 30 EEEDLO CC(C)(C)C#CC(=O)N1C[C@H]2C[N@H+](Cc3cscn3)C[C@@]2(C)C1 ZINC001101232019 1245548688 /nfs/dbraw/zinc/54/86/88/1245548688.db2.gz FGCQOCIINNQXHF-KDOFPFPSSA-N 1 2 331.485 2.473 20 30 EEEDLO CC(C)(C)C#CC(=O)N1C[C@H]2C[N@@H+](Cc3cscn3)C[C@@]2(C)C1 ZINC001101232019 1245548695 /nfs/dbraw/zinc/54/86/95/1245548695.db2.gz FGCQOCIINNQXHF-KDOFPFPSSA-N 1 2 331.485 2.473 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001053033814 1245727450 /nfs/dbraw/zinc/72/74/50/1245727450.db2.gz OTJGYJXAZRTGII-LSDHHAIUSA-N 1 2 346.475 2.254 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C 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C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3sc(C)cc3C)C2)CC1 ZINC001052033868 1246400076 /nfs/dbraw/zinc/40/00/76/1246400076.db2.gz WKFUVVZCIRURNA-INIZCTEOSA-N 1 2 333.501 2.383 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ncsc1C(C)C)CCO2 ZINC001053505690 1246409038 /nfs/dbraw/zinc/40/90/38/1246409038.db2.gz ACSVTFUEWOTWSN-UHFFFAOYSA-N 1 2 335.473 2.369 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)Oc1ccc(F)cc1)CCO2 ZINC001053527674 1246435272 /nfs/dbraw/zinc/43/52/72/1246435272.db2.gz WYMIIMVLHIDMDU-HNNXBMFYSA-N 1 2 348.418 2.082 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1cccc(OCC)c1)CCO2 ZINC001053542275 1246452967 /nfs/dbraw/zinc/45/29/67/1246452967.db2.gz AYYMJNHJSLZECO-UHFFFAOYSA-N 1 2 344.455 2.117 20 30 EEEDLO C[C@H]1CC[C@@](C)(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1(C)C ZINC001052094828 1246474618 /nfs/dbraw/zinc/47/46/18/1246474618.db2.gz ZSCQEMWWJLAKTG-ZWOKBUDYSA-N 1 2 346.519 2.191 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(C(C)C)c3)C2)CC1 ZINC001052105913 1246484670 /nfs/dbraw/zinc/48/46/70/1246484670.db2.gz VKJVWFQVYKPESG-FQEVSTJZSA-N 1 2 339.483 2.275 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001052111611 1246492414 /nfs/dbraw/zinc/49/24/14/1246492414.db2.gz AKYOAGXKEUCGAJ-SFHVURJKSA-N 1 2 345.874 2.195 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)C2)CC1 ZINC001052122051 1246507775 /nfs/dbraw/zinc/50/77/75/1246507775.db2.gz LOELGGXWAYJXEX-ROMHJBHXSA-N 1 2 343.515 2.073 20 30 EEEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCCC3(C)C)C2)CC1 ZINC001052123646 1246509001 /nfs/dbraw/zinc/50/90/01/1246509001.db2.gz LBBAZXQYQVCLIA-RBUKOAKNSA-N 1 2 345.531 2.445 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccnn1C(C)C)O2 ZINC001053604351 1246519504 /nfs/dbraw/zinc/51/95/04/1246519504.db2.gz CUULLTLLWFGYAB-HNNXBMFYSA-N 1 2 332.448 2.003 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccnc(C3CC3)c1)O2 ZINC001053626746 1246555178 /nfs/dbraw/zinc/55/51/78/1246555178.db2.gz 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1258425380 /nfs/dbraw/zinc/42/53/80/1258425380.db2.gz YQOGNSUQWTWSRB-ZWKOTPCHSA-N 1 2 345.418 2.105 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1O ZINC001099856587 1258425386 /nfs/dbraw/zinc/42/53/86/1258425386.db2.gz YQOGNSUQWTWSRB-ZWKOTPCHSA-N 1 2 345.418 2.105 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCc2ccc(C)cc2)[C@@H](O)C1 ZINC001099910982 1258457514 /nfs/dbraw/zinc/45/75/14/1258457514.db2.gz BJZWOUOEFSTZFV-SJORKVTESA-N 1 2 336.863 2.232 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccc(C)cc2)[C@@H](O)C1 ZINC001099910982 1258457519 /nfs/dbraw/zinc/45/75/19/1258457519.db2.gz BJZWOUOEFSTZFV-SJORKVTESA-N 1 2 336.863 2.232 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001100792135 1259263580 /nfs/dbraw/zinc/26/35/80/1259263580.db2.gz FFNRGCMUYHZTOA-WBVHZDCISA-N 1 2 346.475 2.468 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H](CC)CCCC)C2)nn1 ZINC001185882590 1278850385 /nfs/dbraw/zinc/85/03/85/1278850385.db2.gz 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C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)COCCCC)C1 ZINC001189479583 1280336531 /nfs/dbraw/zinc/33/65/31/1280336531.db2.gz IBFGUNCANMEKSJ-ZDUSSCGKSA-N 1 2 333.270 2.244 20 30 EEEDLO C[N@H+](CC#Cc1ccccc1)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190260854 1280763609 /nfs/dbraw/zinc/76/36/09/1280763609.db2.gz YJKAQCWOKMUTRC-GJZGRUSLSA-N 1 2 342.336 2.471 20 30 EEEDLO C[N@@H+](CC#Cc1ccccc1)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190260854 1280763629 /nfs/dbraw/zinc/76/36/29/1280763629.db2.gz YJKAQCWOKMUTRC-GJZGRUSLSA-N 1 2 342.336 2.471 20 30 EEEDLO CCCCCCCCNC(=O)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001191077299 1281201028 /nfs/dbraw/zinc/20/10/28/1281201028.db2.gz VQDLEIQJPJCAHZ-HNNXBMFYSA-N 1 2 338.452 2.164 20 30 EEEDLO CC/C=C(/C)C(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001191483413 1281410467 /nfs/dbraw/zinc/41/04/67/1281410467.db2.gz SPQUFANGFWNSJC-FCXXHKLSSA-N 1 2 346.858 2.209 20 30 EEEDLO CC/C=C(/C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001191483413 1281410471 /nfs/dbraw/zinc/41/04/71/1281410471.db2.gz SPQUFANGFWNSJC-FCXXHKLSSA-N 1 2 346.858 2.209 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001191724793 1281560878 /nfs/dbraw/zinc/56/08/78/1281560878.db2.gz QYJQCNWLZZQUQA-HUUCEWRRSA-N 1 2 342.361 2.333 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1O ZINC001191724793 1281560891 /nfs/dbraw/zinc/56/08/91/1281560891.db2.gz QYJQCNWLZZQUQA-HUUCEWRRSA-N 1 2 342.361 2.333 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@H+](C)CC(=O)Nc2cc(C)no2)C1 ZINC001192217006 1281883251 /nfs/dbraw/zinc/88/32/51/1281883251.db2.gz BEERDTPBYGWXKA-KBXCAEBGSA-N 1 2 348.447 2.057 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(C)no2)C1 ZINC001192217006 1281883259 /nfs/dbraw/zinc/88/32/59/1281883259.db2.gz BEERDTPBYGWXKA-KBXCAEBGSA-N 1 2 348.447 2.057 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3cnnn3CC)C2)CCC1 ZINC001192218131 1281885825 /nfs/dbraw/zinc/88/58/25/1281885825.db2.gz NEYMZLFCEFHKTG-HNNXBMFYSA-N 1 2 331.464 2.077 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3cnnn3CC)C2)CCC1 ZINC001192218131 1281885836 /nfs/dbraw/zinc/88/58/36/1281885836.db2.gz NEYMZLFCEFHKTG-HNNXBMFYSA-N 1 2 331.464 2.077 20 30 EEEDLO Cc1nc(N2CCC3(CCN(C(=O)C#CC(C)C)C3)CC2)cc[nH+]1 ZINC001110461532 1283299023 /nfs/dbraw/zinc/29/90/23/1283299023.db2.gz XBTHKAMRERFSNJ-UHFFFAOYSA-N 1 2 326.444 2.263 20 30 EEEDLO C=CCCC(=O)N1CCC[N@@H+](CC(=O)NCc2cccc(C)c2)CC1 ZINC001195231959 1283485449 /nfs/dbraw/zinc/48/54/49/1283485449.db2.gz FXBKYUBRXUFIFA-UHFFFAOYSA-N 1 2 343.471 2.112 20 30 EEEDLO C=CCCC(=O)N1CCC[N@H+](CC(=O)NCc2cccc(C)c2)CC1 ZINC001195231959 1283485459 /nfs/dbraw/zinc/48/54/59/1283485459.db2.gz FXBKYUBRXUFIFA-UHFFFAOYSA-N 1 2 343.471 2.112 20 30 EEEDLO CO[C@H](C)CCC(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001195596476 1283616176 /nfs/dbraw/zinc/61/61/76/1283616176.db2.gz HBLUYMRSOCTVLY-MRXNPFEDSA-N 1 2 329.444 2.408 20 30 EEEDLO CO[C@H](C)CCC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001195596476 1283616190 /nfs/dbraw/zinc/61/61/90/1283616190.db2.gz HBLUYMRSOCTVLY-MRXNPFEDSA-N 1 2 329.444 2.408 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[N@@H+](Cc2c(C)nnn2CC)CC1 ZINC001195990682 1283867346 /nfs/dbraw/zinc/86/73/46/1283867346.db2.gz ZBSGQIBUPPPDPV-UHFFFAOYSA-N 1 2 333.480 2.243 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[N@H+](Cc2c(C)nnn2CC)CC1 ZINC001195990682 1283867354 /nfs/dbraw/zinc/86/73/54/1283867354.db2.gz ZBSGQIBUPPPDPV-UHFFFAOYSA-N 1 2 333.480 2.243 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2OCC2CCOCC2)CC1 ZINC001196542916 1284128131 /nfs/dbraw/zinc/12/81/31/1284128131.db2.gz DUEAPIWECOHWKW-UHFFFAOYSA-N 1 2 344.455 2.436 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCN(C(=O)C2(CC)CCC2)CC1 ZINC001196813787 1284294306 /nfs/dbraw/zinc/29/43/06/1284294306.db2.gz KKIPBCUWIWNDOV-UHFFFAOYSA-N 1 2 347.503 2.302 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(C(=O)C2(CC)CCC2)CC1 ZINC001196813787 1284294316 /nfs/dbraw/zinc/29/43/16/1284294316.db2.gz KKIPBCUWIWNDOV-UHFFFAOYSA-N 1 2 347.503 2.302 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[N@@H+](CC(=O)N[C@@H](C)C(C)C)CC2)C1 ZINC001197092917 1284428261 /nfs/dbraw/zinc/42/82/61/1284428261.db2.gz PMAHWHZBYFVFPM-INIZCTEOSA-N 1 2 335.492 2.038 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[N@H+](CC(=O)N[C@@H](C)C(C)C)CC2)C1 ZINC001197092917 1284428266 /nfs/dbraw/zinc/42/82/66/1284428266.db2.gz PMAHWHZBYFVFPM-INIZCTEOSA-N 1 2 335.492 2.038 20 30 EEEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC001197842075 1284831119 /nfs/dbraw/zinc/83/11/19/1284831119.db2.gz DKEQEGBROLDIOI-SJORKVTESA-N 1 2 349.519 2.121 20 30 EEEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC001197842075 1284831132 /nfs/dbraw/zinc/83/11/32/1284831132.db2.gz DKEQEGBROLDIOI-SJORKVTESA-N 1 2 349.519 2.121 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(C)CCC(C)=C(C)C2)CC1 ZINC001198304242 1285080279 /nfs/dbraw/zinc/08/02/79/1285080279.db2.gz RCOQDCZMTBZPIX-HXUWFJFHSA-N 1 2 347.503 2.350 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(C)CCC(C)=C(C)C2)CC1 ZINC001198304242 1285080282 /nfs/dbraw/zinc/08/02/82/1285080282.db2.gz RCOQDCZMTBZPIX-HXUWFJFHSA-N 1 2 347.503 2.350 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1cn(C)nc1C ZINC001152439382 1285100863 /nfs/dbraw/zinc/10/08/63/1285100863.db2.gz UMIBLNPDUWRSDH-LLVKDONJSA-N 1 2 343.269 2.077 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1cn(C)nc1C ZINC001152439382 1285100868 /nfs/dbraw/zinc/10/08/68/1285100868.db2.gz UMIBLNPDUWRSDH-LLVKDONJSA-N 1 2 343.269 2.077 20 30 EEEDLO C=CCC1(C(=O)N2CCC[N@@H+](CC(=O)NCC(C)C)CC2)CCCC1 ZINC001198423378 1285151468 /nfs/dbraw/zinc/15/14/68/1285151468.db2.gz OHIIUXPHWDJRTL-UHFFFAOYSA-N 1 2 349.519 2.429 20 30 EEEDLO C=CCC1(C(=O)N2CCC[N@H+](CC(=O)NCC(C)C)CC2)CCCC1 ZINC001198423378 1285151471 /nfs/dbraw/zinc/15/14/71/1285151471.db2.gz OHIIUXPHWDJRTL-UHFFFAOYSA-N 1 2 349.519 2.429 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@H]([NH2+]CCF)c1ccccc1OC ZINC001198597248 1285243702 /nfs/dbraw/zinc/24/37/02/1285243702.db2.gz YSXNTOURBGGTKD-ZBFHGGJFSA-N 1 2 338.423 2.393 20 30 EEEDLO C=CCOCC(=O)N1CCC[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001110538677 1285739716 /nfs/dbraw/zinc/73/97/16/1285739716.db2.gz MKKVQKDRGZJBGY-HNNXBMFYSA-N 1 2 330.432 2.268 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3cc(C4CC4)no3)c2C1 ZINC001069876148 1286205598 /nfs/dbraw/zinc/20/55/98/1286205598.db2.gz LEHFHQXTWSDPTF-UHFFFAOYSA-N 1 2 341.415 2.070 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3cc(C4CC4)no3)c2C1 ZINC001069876148 1286205602 /nfs/dbraw/zinc/20/56/02/1286205602.db2.gz LEHFHQXTWSDPTF-UHFFFAOYSA-N 1 2 341.415 2.070 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001070933215 1286615451 /nfs/dbraw/zinc/61/54/51/1286615451.db2.gz ZGGSLLZWIXDESS-MRXNPFEDSA-N 1 2 346.475 2.373 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1COCCN1c1nc(C)[nH+]c(C)c1C ZINC001111708403 1289451792 /nfs/dbraw/zinc/45/17/92/1289451792.db2.gz FLQWSZFRNGYGFX-INIZCTEOSA-N 1 2 346.475 2.326 20 30 EEEDLO C#CCN(C(=O)CO[C@H](C)CC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110620914 1291756993 /nfs/dbraw/zinc/75/69/93/1291756993.db2.gz AEDRHHOIDSVNSI-OAHLLOKOSA-N 1 2 344.459 2.031 20 30 EEEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](C[C@H](O)c2ccccn2)CC1 ZINC000851913239 1291913707 /nfs/dbraw/zinc/91/37/07/1291913707.db2.gz GPUSEVYOCBCUKO-OALUTQOASA-N 1 2 340.402 2.137 20 30 EEEDLO COc1ccccc1[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1nccn1C ZINC000857208931 1293758049 /nfs/dbraw/zinc/75/80/49/1293758049.db2.gz NNNOCUYHIITEKC-YOEHRIQHSA-N 1 2 342.443 2.408 20 30 EEEDLO Cc1nc(C[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)CC[C@@H]2C)c(C)o1 ZINC001071431813 1294537612 /nfs/dbraw/zinc/53/76/12/1294537612.db2.gz VWXPHKOPDBCFDW-NHYWBVRUSA-N 1 2 341.415 2.274 20 30 EEEDLO Cc1nc(C[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)CC[C@@H]2C)c(C)o1 ZINC001071431813 1294537628 /nfs/dbraw/zinc/53/76/28/1294537628.db2.gz VWXPHKOPDBCFDW-NHYWBVRUSA-N 1 2 341.415 2.274 20 30 EEEDLO Cc1nonc1C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C#N)C1 ZINC001072116015 1295260419 /nfs/dbraw/zinc/26/04/19/1295260419.db2.gz GJQODWDCNQIXIC-BLLLJJGKSA-N 1 2 339.399 2.033 20 30 EEEDLO Cc1nonc1C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC001072116015 1295260426 /nfs/dbraw/zinc/26/04/26/1295260426.db2.gz GJQODWDCNQIXIC-BLLLJJGKSA-N 1 2 339.399 2.033 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001072508406 1295768110 /nfs/dbraw/zinc/76/81/10/1295768110.db2.gz UWWIFYCUGYWSNW-WMLDXEAASA-N 1 2 341.455 2.387 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001213319804 1295977341 /nfs/dbraw/zinc/97/73/41/1295977341.db2.gz CRLBHCRNWIZGGZ-USXIJHARSA-N 1 2 347.459 2.008 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001213319804 1295977350 /nfs/dbraw/zinc/97/73/50/1295977350.db2.gz CRLBHCRNWIZGGZ-USXIJHARSA-N 1 2 347.459 2.008 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccns3)C[C@H]2OC)CCC1 ZINC001213397228 1296007683 /nfs/dbraw/zinc/00/76/83/1296007683.db2.gz CRWPKDLUBVGXGP-HUUCEWRRSA-N 1 2 335.473 2.205 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccns3)C[C@H]2OC)CCC1 ZINC001213397228 1296007686 /nfs/dbraw/zinc/00/76/86/1296007686.db2.gz CRWPKDLUBVGXGP-HUUCEWRRSA-N 1 2 335.473 2.205 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001213496654 1296053741 /nfs/dbraw/zinc/05/37/41/1296053741.db2.gz VVXZECZKNUSQJG-HZPDHXFCSA-N 1 2 347.459 2.008 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001213496654 1296053755 /nfs/dbraw/zinc/05/37/55/1296053755.db2.gz VVXZECZKNUSQJG-HZPDHXFCSA-N 1 2 347.459 2.008 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@H]21 ZINC001114328961 1296138637 /nfs/dbraw/zinc/13/86/37/1296138637.db2.gz RYTAVVIJRUEYBI-QLPKVWCKSA-N 1 2 331.464 2.008 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@H]21 ZINC001114328961 1296138642 /nfs/dbraw/zinc/13/86/42/1296138642.db2.gz RYTAVVIJRUEYBI-QLPKVWCKSA-N 1 2 331.464 2.008 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc([C@H](C)OCC)no2)C1 ZINC001214305969 1296402829 /nfs/dbraw/zinc/40/28/29/1296402829.db2.gz QCDHCQMQRFHXGI-HZSPNIEDSA-N 1 2 336.436 2.070 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC001073472069 1297104847 /nfs/dbraw/zinc/10/48/47/1297104847.db2.gz ABYUDTMLYBMUHA-CQSZACIVSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC001073473371 1297107899 /nfs/dbraw/zinc/10/78/99/1297107899.db2.gz ZGKXYTUWTSSVCK-CQSZACIVSA-N 1 2 332.448 2.052 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(NC(=O)OCC)ccc2F)CC1 ZINC000931345849 1297151613 /nfs/dbraw/zinc/15/16/13/1297151613.db2.gz LPCKJXUIERVYJX-UHFFFAOYSA-N 1 2 347.390 2.175 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C)cc(C)n2)C1 ZINC001073667746 1297376851 /nfs/dbraw/zinc/37/68/51/1297376851.db2.gz NQZKMPOYLZZBFK-HNNXBMFYSA-N 1 2 337.851 2.272 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C)cc(C)n2)C1 ZINC001073667746 1297376867 /nfs/dbraw/zinc/37/68/67/1297376867.db2.gz 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/nfs/dbraw/zinc/32/50/18/1323325018.db2.gz MGKHODFCRUYOFS-CRAIPNDOSA-N 1 2 339.439 2.009 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C=C(C)C)C2)c1 ZINC001205871190 1323325025 /nfs/dbraw/zinc/32/50/25/1323325025.db2.gz MGKHODFCRUYOFS-CRAIPNDOSA-N 1 2 339.439 2.009 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2F)C[C@H]1NC(=O)CSCC#N ZINC001206089985 1323391022 /nfs/dbraw/zinc/39/10/22/1323391022.db2.gz IKIWZMDAGVFGKH-IAQYHMDHSA-N 1 2 339.411 2.158 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)C[C@H]1NC(=O)CSCC#N ZINC001206089985 1323391028 /nfs/dbraw/zinc/39/10/28/1323391028.db2.gz IKIWZMDAGVFGKH-IAQYHMDHSA-N 1 2 339.411 2.158 20 30 EEEDLO CCCOCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206456519 1323498282 /nfs/dbraw/zinc/49/82/82/1323498282.db2.gz OIVIXRHFWYRCBZ-CXAGYDPISA-N 1 2 333.407 2.060 20 30 EEEDLO CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206456519 1323498289 /nfs/dbraw/zinc/49/82/89/1323498289.db2.gz OIVIXRHFWYRCBZ-CXAGYDPISA-N 1 2 333.407 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C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)n(C)n2)C[C@H]1C ZINC001208315186 1324416689 /nfs/dbraw/zinc/41/66/89/1324416689.db2.gz NZMSAWXYBWWGQL-CRAIPNDOSA-N 1 2 330.476 2.249 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccco2)C[C@H]1C ZINC001208318218 1324420020 /nfs/dbraw/zinc/42/00/20/1324420020.db2.gz OTPOIZDTOWYTCD-RBSFLKMASA-N 1 2 347.459 2.106 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccco2)C[C@H]1C ZINC001208318218 1324420025 /nfs/dbraw/zinc/42/00/25/1324420025.db2.gz OTPOIZDTOWYTCD-RBSFLKMASA-N 1 2 347.459 2.106 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N(C)CC(F)(F)F)C1 ZINC001208405014 1324478030 /nfs/dbraw/zinc/47/80/30/1324478030.db2.gz GSDWFHWETPEQCA-ADEWGFFLSA-N 1 2 341.805 2.058 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N(C)CC(F)(F)F)C1 ZINC001208405014 1324478034 /nfs/dbraw/zinc/47/80/34/1324478034.db2.gz GSDWFHWETPEQCA-ADEWGFFLSA-N 1 2 341.805 2.058 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCO[C@H](C(C)C)C1 ZINC001338795667 1336909218 /nfs/dbraw/zinc/90/92/18/1336909218.db2.gz PHSRPGRGCGTBRU-INIZCTEOSA-N 1 2 333.480 2.311 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(C[C@H](C)SCC)n2CC(C)C)CC1 ZINC001347438488 1337509713 /nfs/dbraw/zinc/50/97/13/1337509713.db2.gz NYCZHIDICPRSCP-INIZCTEOSA-N 1 2 349.548 2.373 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001351722641 1337840649 /nfs/dbraw/zinc/84/06/49/1337840649.db2.gz FGRGINSYRJPHPW-HZPDHXFCSA-N 1 2 347.507 2.151 20 30 EEEDLO C[C@H](C#N)C(=O)NCC1CC([NH2+]Cc2noc(C3CCCCC3)n2)C1 ZINC001100191699 1338134013 /nfs/dbraw/zinc/13/40/13/1338134013.db2.gz ULIHYDGHAFSQPI-DNOWBOINSA-N 1 2 345.447 2.261 20 30 EEEDLO Cc1nc(N(C)CCNC(=O)c2cc3c[nH+]ccc3[nH]2)ccc1C#N ZINC001100396252 1338343252 /nfs/dbraw/zinc/34/32/52/1338343252.db2.gz SITJJDGWXBQQON-UHFFFAOYSA-N 1 2 334.383 2.004 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCCN(CC)c1ncnc2c1C[N@H+](C)CC2 ZINC001100684776 1338637990 /nfs/dbraw/zinc/63/79/90/1338637990.db2.gz WOVVFZFEUOEJGS-OAHLLOKOSA-N 1 2 345.491 2.009 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCCN(CC)c1ncnc2c1C[N@@H+](C)CC2 ZINC001100684776 1338637993 /nfs/dbraw/zinc/63/79/93/1338637993.db2.gz WOVVFZFEUOEJGS-OAHLLOKOSA-N 1 2 345.491 2.009 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1c[nH]nn1 ZINC001575085567 1343732071 /nfs/dbraw/zinc/73/20/71/1343732071.db2.gz OBEQHXNRFLORAJ-DOTOQJQBSA-N 1 2 331.464 2.338 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cn[nH]n1 ZINC001575085567 1343732075 /nfs/dbraw/zinc/73/20/75/1343732075.db2.gz OBEQHXNRFLORAJ-DOTOQJQBSA-N 1 2 331.464 2.338 20 30 EEEDLO COCCN(CCC#N)c1nnc([C@@H]2CCCC[N@@H+]2C)n1CC(C)C ZINC001646853103 1353007936 /nfs/dbraw/zinc/00/79/36/1353007936.db2.gz SZBBXMGIEFKXKZ-INIZCTEOSA-N 1 2 348.495 2.457 20 30 EEEDLO COCCN(CCC#N)c1nnc([C@@H]2CCCC[N@H+]2C)n1CC(C)C ZINC001646853103 1353007941 /nfs/dbraw/zinc/00/79/41/1353007941.db2.gz SZBBXMGIEFKXKZ-INIZCTEOSA-N 1 2 348.495 2.457 20 30 EEEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(C)(F)CC1 ZINC001647674151 1353372942 /nfs/dbraw/zinc/37/29/42/1353372942.db2.gz IMFHLIGAIIAGPT-UHFFFAOYSA-N 1 2 334.443 2.237 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@H]1C[NH2+][C@@H](C)c1nc(COC)no1 ZINC001674366630 1356824672 /nfs/dbraw/zinc/82/46/72/1356824672.db2.gz HHHVOZHCPRFTDC-KBPBESRZSA-N 1 2 336.436 2.214 20 30 EEEDLO C#CCC[N@H+]1C[C@@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)CC[C@@H]1C ZINC001071692240 1370557269 /nfs/dbraw/zinc/55/72/69/1370557269.db2.gz GLJVSBJYCLHRLZ-JQWIXIFHSA-N 1 2 342.365 2.343 20 30 EEEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)CC[C@@H]1C ZINC001071692240 1370557272 /nfs/dbraw/zinc/55/72/72/1370557272.db2.gz GLJVSBJYCLHRLZ-JQWIXIFHSA-N 1 2 342.365 2.343 20 30 EEEDLO C=CCn1c([C@H]2CC=CCC2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001121701995 1371917005 /nfs/dbraw/zinc/91/70/05/1371917005.db2.gz DAQDRCQRZYSERO-INIZCTEOSA-N 1 2 331.464 2.056 20 30 EEEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001122400578 1371965507 /nfs/dbraw/zinc/96/55/07/1371965507.db2.gz SJXRRJOQHKRDDT-AWEZNQCLSA-N 1 2 344.463 2.182 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CC[C@H](NC(=O)CCc3c[nH]c[nH+]3)C2)nc1 ZINC001123888501 1372194346 /nfs/dbraw/zinc/19/43/46/1372194346.db2.gz ULHXQXLMCHEVSR-ZFWWWQNUSA-N 1 2 338.415 2.006 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CC[C@H](NC(=O)CCc3c[nH+]c[nH]3)C2)nc1 ZINC001123888501 1372194350 /nfs/dbraw/zinc/19/43/50/1372194350.db2.gz ULHXQXLMCHEVSR-ZFWWWQNUSA-N 1 2 338.415 2.006 20 30 EEEDLO C=CCc1cccc(C[N@H+](CCC(=O)OCC)CC(=O)OCC)c1O ZINC001138628890 1372406575 /nfs/dbraw/zinc/40/65/75/1372406575.db2.gz IQTVHVHKCGWGMJ-UHFFFAOYSA-N 1 2 349.427 2.439 20 30 EEEDLO C=CCc1cccc(C[N@@H+](CCC(=O)OCC)CC(=O)OCC)c1O ZINC001138628890 1372406579 /nfs/dbraw/zinc/40/65/79/1372406579.db2.gz IQTVHVHKCGWGMJ-UHFFFAOYSA-N 1 2 349.427 2.439 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2noc(C(C)C)n2)C12CCC2 ZINC001202865960 1372418774 /nfs/dbraw/zinc/41/87/74/1372418774.db2.gz FNKCLQOYPBPYMC-HUUCEWRRSA-N 1 2 344.459 2.369 20 30 EEEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)C#CC3CC3)CCCC2)no1 ZINC000837366183 1372783220 /nfs/dbraw/zinc/78/32/20/1372783220.db2.gz ZSYUOSMPGCWLEH-UHFFFAOYSA-N 1 2 330.432 2.210 20 30 EEEDLO C#CCN(CC)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C[C@H]1CCCCO1 ZINC001344735507 1372965423 /nfs/dbraw/zinc/96/54/23/1372965423.db2.gz FFUOSJFJBFLPRM-SJORKVTESA-N 1 2 345.491 2.464 20 30 EEEDLO C#CCN(CC)c1nnc([C@@H]2CCCC[N@H+]2C)n1C[C@H]1CCCCO1 ZINC001344735507 1372965428 /nfs/dbraw/zinc/96/54/28/1372965428.db2.gz FFUOSJFJBFLPRM-SJORKVTESA-N 1 2 345.491 2.464 20 30 EEEDLO Cc1cccc(CNC(=O)C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC001365323087 1373702328 /nfs/dbraw/zinc/70/23/28/1373702328.db2.gz SJKUTAXHRSZPBV-UHFFFAOYSA-N 1 2 348.450 2.305 20 30 EEEDLO COCC1(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)CCCC1 ZINC001366538997 1373941814 /nfs/dbraw/zinc/94/18/14/1373941814.db2.gz UEBFYINMQKBOHG-UHFFFAOYSA-N 1 2 329.444 2.313 20 30 EEEDLO COCC1(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)CCCC1 ZINC001366538997 1373941816 /nfs/dbraw/zinc/94/18/16/1373941816.db2.gz UEBFYINMQKBOHG-UHFFFAOYSA-N 1 2 329.444 2.313 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnc2cc(C)nn2c1C ZINC001367822099 1374274601 /nfs/dbraw/zinc/27/46/01/1374274601.db2.gz QCWGKKAZGMVWIM-LBPRGKRZSA-N 1 2 335.839 2.149 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnc2cc(C)nn2c1C ZINC001367822099 1374274604 /nfs/dbraw/zinc/27/46/04/1374274604.db2.gz QCWGKKAZGMVWIM-LBPRGKRZSA-N 1 2 335.839 2.149 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001368225737 1374351520 /nfs/dbraw/zinc/35/15/20/1374351520.db2.gz CPVSCQCRBGQLJF-QGZVFWFLSA-N 1 2 337.851 2.268 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001368225737 1374351524 /nfs/dbraw/zinc/35/15/24/1374351524.db2.gz CPVSCQCRBGQLJF-QGZVFWFLSA-N 1 2 337.851 2.268 20 30 EEEDLO CCC[N@H+](CCNC(=O)c1cc(C#N)c[nH]1)Cc1csc(C)n1 ZINC001372687635 1376142381 /nfs/dbraw/zinc/14/23/81/1376142381.db2.gz GRRQWXMKYWBCGC-UHFFFAOYSA-N 1 2 331.445 2.293 20 30 EEEDLO CCC[N@@H+](CCNC(=O)c1cc(C#N)c[nH]1)Cc1csc(C)n1 ZINC001372687635 1376142384 /nfs/dbraw/zinc/14/23/84/1376142384.db2.gz GRRQWXMKYWBCGC-UHFFFAOYSA-N 1 2 331.445 2.293 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]([NH2+]Cc2noc(C3CCCCC3)n2)C1 ZINC001376355109 1378490356 /nfs/dbraw/zinc/49/03/56/1378490356.db2.gz AEAGUAQSJCATPN-MRVWCRGKSA-N 1 2 331.420 2.014 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)COc1ccc(OC)cc1 ZINC001377430528 1379237210 /nfs/dbraw/zinc/23/72/10/1379237210.db2.gz ZYLCMWIADBWCEE-AWEZNQCLSA-N 1 2 338.835 2.407 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)COc1ccc(OC)cc1 ZINC001377430528 1379237218 /nfs/dbraw/zinc/23/72/18/1379237218.db2.gz ZYLCMWIADBWCEE-AWEZNQCLSA-N 1 2 338.835 2.407 20 30 EEEDLO Cc1ccc(C(=O)NCC[N@H+](Cc2ccccc2C#N)C2CC2)nn1 ZINC001377530512 1379339138 /nfs/dbraw/zinc/33/91/38/1379339138.db2.gz KCNBIPAAXQZIEH-UHFFFAOYSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1ccc(C(=O)NCC[N@@H+](Cc2ccccc2C#N)C2CC2)nn1 ZINC001377530512 1379339145 /nfs/dbraw/zinc/33/91/45/1379339145.db2.gz KCNBIPAAXQZIEH-UHFFFAOYSA-N 1 2 335.411 2.051 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)COc2ccsc2)C1 ZINC001378078098 1379690145 /nfs/dbraw/zinc/69/01/45/1379690145.db2.gz DKBFLGQEOQCBAG-INIZCTEOSA-N 1 2 341.436 2.389 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)COc2ccsc2)C1 ZINC001378078098 1379690147 /nfs/dbraw/zinc/69/01/47/1379690147.db2.gz DKBFLGQEOQCBAG-INIZCTEOSA-N 1 2 341.436 2.389 20 30 EEEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N)c(F)c1 ZINC001379032814 1380409189 /nfs/dbraw/zinc/40/91/89/1380409189.db2.gz NLNGKAVCKILBOF-KBPBESRZSA-N 1 2 348.422 2.011 20 30 EEEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N)c(F)c1 ZINC001379032814 1380409191 /nfs/dbraw/zinc/40/91/91/1380409191.db2.gz NLNGKAVCKILBOF-KBPBESRZSA-N 1 2 348.422 2.011 20 30 EEEDLO CCc1oncc1C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001379105220 1380519702 /nfs/dbraw/zinc/51/97/02/1380519702.db2.gz ZGVPMDYSIMNVBM-UHFFFAOYSA-N 1 2 326.400 2.313 20 30 EEEDLO CCc1oncc1C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001379105220 1380519703 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EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2[nH]cnc2CC)C1 ZINC000980282932 774255792 /nfs/dbraw/zinc/25/57/92/774255792.db2.gz PKPWWBRTZHSNQZ-NSHDSACASA-N 1 2 341.253 2.027 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2cccnc2)c1 ZINC001027928570 774545452 /nfs/dbraw/zinc/54/54/52/774545452.db2.gz SIZUSFLKHNSZBN-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2cccnc2)c1 ZINC001027928570 774545455 /nfs/dbraw/zinc/54/54/55/774545455.db2.gz SIZUSFLKHNSZBN-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)c1nnc(C)o1 ZINC001027936239 774656176 /nfs/dbraw/zinc/65/61/76/774656176.db2.gz FNJGWFFDLNGACN-HIFRSBDPSA-N 1 2 343.431 2.321 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)c1nnc(C)o1 ZINC001027936239 774656179 /nfs/dbraw/zinc/65/61/79/774656179.db2.gz FNJGWFFDLNGACN-HIFRSBDPSA-N 1 2 343.431 2.321 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCc2ccc(CO)cc2)cc1OC ZINC000180367916 774757921 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345.834 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cncn3)c2)[C@H]1C ZINC001088846975 790624875 /nfs/dbraw/zinc/62/48/75/790624875.db2.gz QMYLVFOZCUTZAI-CJNGLKHVSA-N 1 2 345.834 2.212 20 30 EEEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC001126338641 779486969 /nfs/dbraw/zinc/48/69/69/779486969.db2.gz FGJGLBVPMHVVLR-UHFFFAOYSA-N 1 2 348.353 2.024 20 30 EEEDLO Cc1conc1C(=O)NC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001028247715 779629184 /nfs/dbraw/zinc/62/91/84/779629184.db2.gz UWFZHFOAUZCIQJ-KRWDZBQOSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1conc1C(=O)NC[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001028247715 779629189 /nfs/dbraw/zinc/62/91/89/779629189.db2.gz UWFZHFOAUZCIQJ-KRWDZBQOSA-N 1 2 341.386 2.368 20 30 EEEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc(-c2ccc(C)cc2)no1 ZINC001126344428 779804644 /nfs/dbraw/zinc/80/46/44/779804644.db2.gz XOWUQKPCRZFZCQ-UHFFFAOYSA-N 1 2 326.400 2.054 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@H]1CC[C@H](F)C1 ZINC001031929136 779951456 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C=C1CC(C)(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001035044608 783608723 /nfs/dbraw/zinc/60/87/23/783608723.db2.gz KZTRKERJBBRAPH-OAHLLOKOSA-N 1 2 344.459 2.459 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091484125 790960852 /nfs/dbraw/zinc/96/08/52/790960852.db2.gz SAQUXCZVXUEJAX-JOCQHMNTSA-N 1 2 342.447 2.272 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2coc3c2cccc3OC)C1 ZINC001035372395 784391688 /nfs/dbraw/zinc/39/16/88/784391688.db2.gz BLZWPACRPSQMBM-CYBMUJFWSA-N 1 2 330.384 2.058 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2coc3c2cccc3OC)C1 ZINC001035372395 784391700 /nfs/dbraw/zinc/39/17/00/784391700.db2.gz BLZWPACRPSQMBM-CYBMUJFWSA-N 1 2 330.384 2.058 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)oc3ccccc32)C1 ZINC001035384511 784420390 /nfs/dbraw/zinc/42/03/90/784420390.db2.gz NEORIVLHBHYNAJ-HNNXBMFYSA-N 1 2 326.396 2.195 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2c(C)oc3ccccc32)C1 ZINC001035384511 784420396 /nfs/dbraw/zinc/42/03/96/784420396.db2.gz NEORIVLHBHYNAJ-HNNXBMFYSA-N 1 2 326.396 2.195 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2nc(C(C)(C)C)cs2)C1 ZINC001035403523 784447602 /nfs/dbraw/zinc/44/76/02/784447602.db2.gz DGLVACCVVXAKDB-ZDUSSCGKSA-N 1 2 337.489 2.447 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2nc(C(C)(C)C)cs2)C1 ZINC001035403523 784447606 /nfs/dbraw/zinc/44/76/06/784447606.db2.gz DGLVACCVVXAKDB-ZDUSSCGKSA-N 1 2 337.489 2.447 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001035414090 784490710 /nfs/dbraw/zinc/49/07/10/784490710.db2.gz MWOWKRYXKMWLON-HKUYNNGSSA-N 1 2 328.456 2.500 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001035414090 784490716 /nfs/dbraw/zinc/49/07/16/784490716.db2.gz MWOWKRYXKMWLON-HKUYNNGSSA-N 1 2 328.456 2.500 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(F)c(F)cc2F)C1 ZINC001035487801 784571871 /nfs/dbraw/zinc/57/18/71/784571871.db2.gz NRJMSFMCDCUSRU-LLVKDONJSA-N 1 2 328.334 2.111 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(F)c(F)cc2F)C1 ZINC001035487801 784571875 /nfs/dbraw/zinc/57/18/75/784571875.db2.gz NRJMSFMCDCUSRU-LLVKDONJSA-N 1 2 328.334 2.111 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC001035464818 784586841 /nfs/dbraw/zinc/58/68/41/784586841.db2.gz AGCLYILKLUGRFH-AWEZNQCLSA-N 1 2 333.819 2.438 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC001035464818 784586849 /nfs/dbraw/zinc/58/68/49/784586849.db2.gz AGCLYILKLUGRFH-AWEZNQCLSA-N 1 2 333.819 2.438 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(F)cc3cccnc32)C1 ZINC001035527447 784677794 /nfs/dbraw/zinc/67/77/94/784677794.db2.gz SGENVPMVIOHEGT-MRXNPFEDSA-N 1 2 343.402 2.381 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(F)cc3cccnc32)C1 ZINC001035527447 784677802 /nfs/dbraw/zinc/67/78/02/784677802.db2.gz SGENVPMVIOHEGT-MRXNPFEDSA-N 1 2 343.402 2.381 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(-c3ccccc3)co2)C1 ZINC001035628838 784824082 /nfs/dbraw/zinc/82/40/82/784824082.db2.gz BIOZPLBYRDOZCB-GOSISDBHSA-N 1 2 338.407 2.401 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc(-c3ccccc3)co2)C1 ZINC001035628838 784824088 /nfs/dbraw/zinc/82/40/88/784824088.db2.gz BIOZPLBYRDOZCB-GOSISDBHSA-N 1 2 338.407 2.401 20 30 EEEDLO Cc1nc(C[NH+]2CC3(C2)CCN(C(=O)[C@H](C)C#N)CC3)c(C)s1 ZINC001035673560 784915252 /nfs/dbraw/zinc/91/52/52/784915252.db2.gz OZMKYSFJNJNEQK-GFCCVEGCSA-N 1 2 332.473 2.344 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)Cn1nc(C)cc1C)CC2 ZINC001035747347 785102204 /nfs/dbraw/zinc/10/22/04/785102204.db2.gz OLEZIDCJASDDKM-UHFFFAOYSA-N 1 2 336.867 2.177 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cccnc1N(C)C)CC2 ZINC001035851093 785231355 /nfs/dbraw/zinc/23/13/55/785231355.db2.gz ABYZDDHPXYCKOU-UHFFFAOYSA-N 1 2 348.878 2.438 20 30 EEEDLO Cc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)c(OC[C@@H]2CCCO2)c1 ZINC000819422895 785556133 /nfs/dbraw/zinc/55/61/33/785556133.db2.gz ARMBXVCHZWSKOL-SJORKVTESA-N 1 2 347.459 2.171 20 30 EEEDLO Cc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c(OC[C@@H]2CCCO2)c1 ZINC000819422895 785556139 /nfs/dbraw/zinc/55/61/39/785556139.db2.gz ARMBXVCHZWSKOL-SJORKVTESA-N 1 2 347.459 2.171 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccccc1OC[C@H]1CCCCO1 ZINC000819428256 785558517 /nfs/dbraw/zinc/55/85/17/785558517.db2.gz YEFPGEAFXPLFHV-DLBZAZTESA-N 1 2 347.459 2.253 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccccc1OC[C@H]1CCCCO1 ZINC000819428256 785558523 /nfs/dbraw/zinc/55/85/23/785558523.db2.gz YEFPGEAFXPLFHV-DLBZAZTESA-N 1 2 347.459 2.253 20 30 EEEDLO C[C@@H](N[NH+]=Cc1c(Cl)nc(N)nc1N1CCCC1)c1ccncc1 ZINC000819816118 785678289 /nfs/dbraw/zinc/67/82/89/785678289.db2.gz XEESOURAETWGTA-LLVKDONJSA-N 1 2 345.838 2.392 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2n2ccnn2)CC1 ZINC001129238626 786097590 /nfs/dbraw/zinc/09/75/90/786097590.db2.gz DXWBTDIVVOHBPZ-VFXHQOSVSA-N 1 2 349.866 2.119 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2n2ccnn2)CC1 ZINC001129238626 786097593 /nfs/dbraw/zinc/09/75/93/786097593.db2.gz DXWBTDIVVOHBPZ-VFXHQOSVSA-N 1 2 349.866 2.119 20 30 EEEDLO C=CCCC1(C(=O)NCc2cn(C3C[NH+](CC(=C)C)C3)nn2)CC1 ZINC001107207372 786417472 /nfs/dbraw/zinc/41/74/72/786417472.db2.gz XKRJLMOTAVMYCW-UHFFFAOYSA-N 1 2 329.448 2.074 20 30 EEEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)CCCCCC)nn2)C1 ZINC001107221351 786486775 /nfs/dbraw/zinc/48/67/75/786486775.db2.gz VIUUNUYLUZPNES-INIZCTEOSA-N 1 2 345.491 2.381 20 30 EEEDLO C=CCCOCC(=O)NC/C=C/CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107236699 786586308 /nfs/dbraw/zinc/58/63/08/786586308.db2.gz VXIRLQHXZQEDJD-AATRIKPKSA-N 1 2 330.432 2.339 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1O ZINC001090537015 786794699 /nfs/dbraw/zinc/79/46/99/786794699.db2.gz QICOEADVMUGNDO-SPYBWZPUSA-N 1 2 346.475 2.176 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)CCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001109606297 805758641 /nfs/dbraw/zinc/75/86/41/805758641.db2.gz XBCSETKZNMWFLJ-QGZVFWFLSA-N 1 2 334.468 2.109 20 30 EEEDLO COC(=O)c1ccc(C(N)=[NH+]c2cc3ccccc3n(C)c2=O)cc1 ZINC001170984136 787146100 /nfs/dbraw/zinc/14/61/00/787146100.db2.gz NLDHKLPXLVUDPK-UHFFFAOYSA-N 1 2 335.363 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)[C@@H](O)C1 ZINC001090599961 787193617 /nfs/dbraw/zinc/19/36/17/787193617.db2.gz JDIHWSPAJNHOHG-ZBFHGGJFSA-N 1 2 333.819 2.085 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)[C@@H](O)C1 ZINC001090599961 787193621 /nfs/dbraw/zinc/19/36/21/787193621.db2.gz JDIHWSPAJNHOHG-ZBFHGGJFSA-N 1 2 333.819 2.085 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001062060302 787300717 /nfs/dbraw/zinc/30/07/17/787300717.db2.gz PHVGQCMPZNBCBP-GOEBONIOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001062060302 787300727 /nfs/dbraw/zinc/30/07/27/787300727.db2.gz PHVGQCMPZNBCBP-GOEBONIOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)C ZINC001109634482 805782797 /nfs/dbraw/zinc/78/27/97/805782797.db2.gz NYHIEUDRJWBDKS-YVSFHVDLSA-N 1 2 335.492 2.082 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)C ZINC001109634482 805782802 /nfs/dbraw/zinc/78/28/02/805782802.db2.gz NYHIEUDRJWBDKS-YVSFHVDLSA-N 1 2 335.492 2.082 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001111539488 787500647 /nfs/dbraw/zinc/50/06/47/787500647.db2.gz JLDMRCHCWVFEJI-DZGCQCFKSA-N 1 2 346.475 2.353 20 30 EEEDLO Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)c1 ZINC001032328818 787677347 /nfs/dbraw/zinc/67/73/47/787677347.db2.gz BREJPWTVUPATGI-OALUTQOASA-N 1 2 332.407 2.361 20 30 EEEDLO Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)c1 ZINC001032328818 787677351 /nfs/dbraw/zinc/67/73/51/787677351.db2.gz BREJPWTVUPATGI-OALUTQOASA-N 1 2 332.407 2.361 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001062255989 787727880 /nfs/dbraw/zinc/72/78/80/787727880.db2.gz QCHZTYRVJWOZBP-DOTOQJQBSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001062255989 787727885 /nfs/dbraw/zinc/72/78/85/787727885.db2.gz QCHZTYRVJWOZBP-DOTOQJQBSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001062285813 787809001 /nfs/dbraw/zinc/80/90/01/787809001.db2.gz BNXAQIVULCBEKP-MRXNPFEDSA-N 1 2 332.448 2.127 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C)CCOCC1 ZINC001090747024 788017574 /nfs/dbraw/zinc/01/75/74/788017574.db2.gz XTAQXMBOSCORBC-GDBMZVCRSA-N 1 2 344.459 2.099 20 30 EEEDLO C=CCC1(C(=O)N[C@@H](C)CCNC(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001077678809 788236675 /nfs/dbraw/zinc/23/66/75/788236675.db2.gz XHXOYCXRFXEADU-ZDUSSCGKSA-N 1 2 332.448 2.018 20 30 EEEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC2(C)C)cc1C#N ZINC001032358549 788245981 /nfs/dbraw/zinc/24/59/81/788245981.db2.gz CJLDAFBYZYVWCT-ULQDDVLXSA-N 1 2 339.439 2.398 20 30 EEEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC2(C)C)cc1C#N ZINC001032358549 788245985 /nfs/dbraw/zinc/24/59/85/788245985.db2.gz CJLDAFBYZYVWCT-ULQDDVLXSA-N 1 2 339.439 2.398 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001060783580 788461850 /nfs/dbraw/zinc/46/18/50/788461850.db2.gz KDLASBKPHKZMNE-YVSFHVDLSA-N 1 2 346.475 2.133 20 30 EEEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@H+](Cc2ncccc2C)CCO1 ZINC001108169808 788682329 /nfs/dbraw/zinc/68/23/29/788682329.db2.gz XOOCMUJQIZNTBI-IBGZPJMESA-N 1 2 331.460 2.453 20 30 EEEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2ncccc2C)CCO1 ZINC001108169808 788682332 /nfs/dbraw/zinc/68/23/32/788682332.db2.gz XOOCMUJQIZNTBI-IBGZPJMESA-N 1 2 331.460 2.453 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@H](C)SC ZINC001212143536 789001666 /nfs/dbraw/zinc/00/16/66/789001666.db2.gz IGUXXKFMTJHTPJ-IAOVAPTHSA-N 1 2 347.484 2.015 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@H](C)SC ZINC001212143536 789001674 /nfs/dbraw/zinc/00/16/74/789001674.db2.gz IGUXXKFMTJHTPJ-IAOVAPTHSA-N 1 2 347.484 2.015 20 30 EEEDLO C#CCCCCC(=O)NC[C@@]1(C)C[N@H+](Cc2cccnc2C)CCO1 ZINC001107883167 789050154 /nfs/dbraw/zinc/05/01/54/789050154.db2.gz MNULYTHQWJNITL-FQEVSTJZSA-N 1 2 343.471 2.291 20 30 EEEDLO C#CCCCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2cccnc2C)CCO1 ZINC001107883167 789050168 /nfs/dbraw/zinc/05/01/68/789050168.db2.gz MNULYTHQWJNITL-FQEVSTJZSA-N 1 2 343.471 2.291 20 30 EEEDLO C=C1CC(C)(C(=O)NC2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC000946873203 789104870 /nfs/dbraw/zinc/10/48/70/789104870.db2.gz XRETUYIXVDRELQ-AWEZNQCLSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CC(C)(C(=O)NC2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000946873203 789104876 /nfs/dbraw/zinc/10/48/76/789104876.db2.gz XRETUYIXVDRELQ-AWEZNQCLSA-N 1 2 344.459 2.052 20 30 EEEDLO CC#CC[NH+]1CCC(N(C)C(=O)c2n[nH]c(C)c2C(F)(F)F)CC1 ZINC001005984352 789132544 /nfs/dbraw/zinc/13/25/44/789132544.db2.gz UZHCZGYXPLELNJ-UHFFFAOYSA-N 1 2 342.365 2.297 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccn(C3CCCCC3)n2)C1 ZINC001107946221 789705880 /nfs/dbraw/zinc/70/58/80/789705880.db2.gz RKAOJPODNTXLFC-IBGZPJMESA-N 1 2 346.475 2.395 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccn(C3CCCCC3)n2)C1 ZINC001107946221 789705890 /nfs/dbraw/zinc/70/58/90/789705890.db2.gz RKAOJPODNTXLFC-IBGZPJMESA-N 1 2 346.475 2.395 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC2C[NH+](Cc3cccc4cccnc43)C2)c1 ZINC001030191742 789753147 /nfs/dbraw/zinc/75/31/47/789753147.db2.gz IDENMMBTNIYAIE-UHFFFAOYSA-N 1 2 331.379 2.049 20 30 EEEDLO COC(=O)c1coc(=O)c(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c1 ZINC001171185505 789820456 /nfs/dbraw/zinc/82/04/56/789820456.db2.gz YWBTVMNNADWLQF-UHFFFAOYSA-N 1 2 338.319 2.322 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079046034 789999534 /nfs/dbraw/zinc/99/95/34/789999534.db2.gz QEWWJTNNYIEYDN-HNNXBMFYSA-N 1 2 346.475 2.394 20 30 EEEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2c(Br)nnc2C1 ZINC001171221256 790129473 /nfs/dbraw/zinc/12/94/73/790129473.db2.gz JRCYOWNWKFCYEX-NSHDSACASA-N 1 2 346.232 2.359 20 30 EEEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCn2c(Br)nnc2C1 ZINC001171221256 790129476 /nfs/dbraw/zinc/12/94/76/790129476.db2.gz JRCYOWNWKFCYEX-NSHDSACASA-N 1 2 346.232 2.359 20 30 EEEDLO CC[C@@H](C)c1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#CCOC)on1 ZINC001109811964 806029396 /nfs/dbraw/zinc/02/93/96/806029396.db2.gz XXQXNSITWKWWLM-JHNDHUHGSA-N 1 2 345.443 2.173 20 30 EEEDLO CC[C@@H](C)c1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#CCOC)on1 ZINC001109811964 806029404 /nfs/dbraw/zinc/02/94/04/806029404.db2.gz XXQXNSITWKWWLM-JHNDHUHGSA-N 1 2 345.443 2.173 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106066754 791277741 /nfs/dbraw/zinc/27/77/41/791277741.db2.gz KLMACIVKUUXAHN-IUODEOHRSA-N 1 2 332.448 2.154 20 30 EEEDLO Cc1nsc(NC[C@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)c1C#N ZINC001063574108 791315718 /nfs/dbraw/zinc/31/57/18/791315718.db2.gz IPHJSFYYVBZBDM-CYBMUJFWSA-N 1 2 344.444 2.082 20 30 EEEDLO Cc1nsc(NC[C@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)c1C#N ZINC001063574108 791315746 /nfs/dbraw/zinc/31/57/46/791315746.db2.gz IPHJSFYYVBZBDM-CYBMUJFWSA-N 1 2 344.444 2.082 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnn3)cc2)[C@H]1C ZINC001088976449 791793473 /nfs/dbraw/zinc/79/34/73/791793473.db2.gz YHZOAOMNMKBUHH-CJNGLKHVSA-N 1 2 345.834 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnn3)cc2)[C@H]1C ZINC001088976449 791793476 /nfs/dbraw/zinc/79/34/76/791793476.db2.gz YHZOAOMNMKBUHH-CJNGLKHVSA-N 1 2 345.834 2.212 20 30 EEEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)CC[C@@H](C)OC)C2)C1 ZINC001147391626 791810201 /nfs/dbraw/zinc/81/02/01/791810201.db2.gz HVXKNLZHZHDIDM-CYBMUJFWSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)CC[C@@H](C)OC)C2)C1 ZINC001147391626 791810205 /nfs/dbraw/zinc/81/02/05/791810205.db2.gz HVXKNLZHZHDIDM-CYBMUJFWSA-N 1 2 345.281 2.244 20 30 EEEDLO CC(C)C#CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nc(C3CC3)no1)C2 ZINC001147483815 791855218 /nfs/dbraw/zinc/85/52/18/791855218.db2.gz YEVCVEXOBYHWGJ-AWEZNQCLSA-N 1 2 342.443 2.202 20 30 EEEDLO CC(C)C#CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nc(C3CC3)no1)C2 ZINC001147483815 791855223 /nfs/dbraw/zinc/85/52/23/791855223.db2.gz YEVCVEXOBYHWGJ-AWEZNQCLSA-N 1 2 342.443 2.202 20 30 EEEDLO CCN(C(=O)c1cccc2[nH+]ccn21)[C@@H]1CCCN(CC#N)CC1 ZINC000998065465 791915684 /nfs/dbraw/zinc/91/56/84/791915684.db2.gz WEQVAUIWYQJSNL-OAHLLOKOSA-N 1 2 325.416 2.174 20 30 EEEDLO Cc1nc(NC[C@@H]2[C@H](C)CCCN2C(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001063931446 791982439 /nfs/dbraw/zinc/98/24/39/791982439.db2.gz HNHCDWOCALXJIR-MLGOLLRUSA-N 1 2 338.415 2.338 20 30 EEEDLO CO[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1)C(C)C ZINC001032604040 792089897 /nfs/dbraw/zinc/08/98/97/792089897.db2.gz BZAGPDQICJUUPW-BZSNNMDCSA-N 1 2 327.428 2.014 20 30 EEEDLO CO[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1)C(C)C ZINC001032604040 792089907 /nfs/dbraw/zinc/08/99/07/792089907.db2.gz BZAGPDQICJUUPW-BZSNNMDCSA-N 1 2 327.428 2.014 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C)cn1)C2 ZINC001148087318 792171676 /nfs/dbraw/zinc/17/16/76/792171676.db2.gz BZNAGVXFEIOLQZ-JKSUJKDBSA-N 1 2 328.460 2.278 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C)cn1)C2 ZINC001148087318 792171681 /nfs/dbraw/zinc/17/16/81/792171681.db2.gz BZNAGVXFEIOLQZ-JKSUJKDBSA-N 1 2 328.460 2.278 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@@H](C)C[C@H]1CNc1cc[nH+]c(C)n1 ZINC001091684857 792225678 /nfs/dbraw/zinc/22/56/78/792225678.db2.gz SVPQLPSVKJAQPQ-ZBFHGGJFSA-N 1 2 332.448 2.417 20 30 EEEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2nnc(CC)o2)C3)CC1 ZINC001148263038 792290818 /nfs/dbraw/zinc/29/08/18/792290818.db2.gz UXBOUZQPTRSIHX-UHFFFAOYSA-N 1 2 344.459 2.413 20 30 EEEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2nnc(CC)o2)C3)CC1 ZINC001148263038 792290827 /nfs/dbraw/zinc/29/08/27/792290827.db2.gz UXBOUZQPTRSIHX-UHFFFAOYSA-N 1 2 344.459 2.413 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]2OC)CCC1 ZINC001212393738 792319190 /nfs/dbraw/zinc/31/91/90/792319190.db2.gz XOIPORYGBWYBDE-QZTJIDSGSA-N 1 2 344.430 2.335 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]2OC)CCC1 ZINC001212393738 792319200 /nfs/dbraw/zinc/31/92/00/792319200.db2.gz XOIPORYGBWYBDE-QZTJIDSGSA-N 1 2 344.430 2.335 20 30 EEEDLO CCCCCCCCC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001148727708 792659179 /nfs/dbraw/zinc/65/91/79/792659179.db2.gz HLIHJSMRCPWYAR-UHFFFAOYSA-N 1 2 325.457 2.092 20 30 EEEDLO C[N@@H+](Cc1cscn1)C[C@@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001089150564 792797089 /nfs/dbraw/zinc/79/70/89/792797089.db2.gz KNNVUYBONFQUDZ-HNNXBMFYSA-N 1 2 343.456 2.470 20 30 EEEDLO C[N@H+](Cc1cscn1)C[C@@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001089150564 792797096 /nfs/dbraw/zinc/79/70/96/792797096.db2.gz KNNVUYBONFQUDZ-HNNXBMFYSA-N 1 2 343.456 2.470 20 30 EEEDLO Cc1cc(N2CC[C@@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)nc(C2CC2)[nH+]1 ZINC001064607001 793469270 /nfs/dbraw/zinc/46/92/70/793469270.db2.gz RQYNLMGIZWNHCH-BFUOFWGJSA-N 1 2 339.443 2.251 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C)o3)C[C@@]2(C)C1 ZINC001091978416 793491062 /nfs/dbraw/zinc/49/10/62/793491062.db2.gz QHNCYMFOHHRBDN-OLMNPRSZSA-N 1 2 332.448 2.261 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C)o3)C[C@@]2(C)C1 ZINC001091978416 793491065 /nfs/dbraw/zinc/49/10/65/793491065.db2.gz QHNCYMFOHHRBDN-OLMNPRSZSA-N 1 2 332.448 2.261 20 30 EEEDLO C=CCOCC(=O)NCC1CC(Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001092194666 793659279 /nfs/dbraw/zinc/65/92/79/793659279.db2.gz QALREKPRMTWGKK-UHFFFAOYSA-N 1 2 330.432 2.172 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](CNc1[nH+]cnc2c1cnn2C)C1CC1 ZINC001109951134 806270895 /nfs/dbraw/zinc/27/08/95/806270895.db2.gz NHXAYUYTAKZBAG-IUODEOHRSA-N 1 2 342.447 2.272 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(Cl)o1)c1nccn12 ZINC001092344290 793812905 /nfs/dbraw/zinc/81/29/05/793812905.db2.gz NSXXGNNEGNCFPF-LBPRGKRZSA-N 1 2 344.802 2.039 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C(F)=C1CCCC1)c1nccn12 ZINC001092362877 793838287 /nfs/dbraw/zinc/83/82/87/793838287.db2.gz CRBVPJOGOHLEEA-CQSZACIVSA-N 1 2 330.407 2.439 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)C(F)=C1CCCC1)c1nccn12 ZINC001092364187 793839672 /nfs/dbraw/zinc/83/96/72/793839672.db2.gz YZRNAJCUFQHUNE-OAHLLOKOSA-N 1 2 342.418 2.276 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C3CC3)CCC1)c1nccn12 ZINC001092381350 793875835 /nfs/dbraw/zinc/87/58/35/793875835.db2.gz UDOSVNGHJNMPLG-OAHLLOKOSA-N 1 2 326.444 2.221 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccsc1C)c1nccn12 ZINC001092366077 793909697 /nfs/dbraw/zinc/90/96/97/793909697.db2.gz OYOWRHZLMKAHAZ-CQSZACIVSA-N 1 2 328.441 2.325 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@]1(C)CC=CCC1)c1nccn12 ZINC001092369550 793913132 /nfs/dbraw/zinc/91/31/32/793913132.db2.gz DSQQNPHAUZYGLR-CRAIPNDOSA-N 1 2 326.444 2.387 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1[nH]ccc1C1CC1)c1nccn12 ZINC001092373881 793916678 /nfs/dbraw/zinc/91/66/78/793916678.db2.gz FNKCIZIIHCDIRB-HNNXBMFYSA-N 1 2 337.427 2.160 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ncoc1C(C)C)c1nccn12 ZINC001092407755 793955661 /nfs/dbraw/zinc/95/56/61/793955661.db2.gz SCGXGQZZZMLIHF-CYBMUJFWSA-N 1 2 341.415 2.066 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1sc(C)nc1C)c1nccn12 ZINC001092410195 793959566 /nfs/dbraw/zinc/95/95/66/793959566.db2.gz IOCHROYSXCJUQA-ZDUSSCGKSA-N 1 2 343.456 2.028 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)c(F)cc2F)[C@H](O)C1 ZINC001090354190 794155801 /nfs/dbraw/zinc/15/58/01/794155801.db2.gz IMYMPGCNERQSDD-LSDHHAIUSA-N 1 2 344.789 2.191 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(F)cc2F)[C@H](O)C1 ZINC001090354190 794155808 /nfs/dbraw/zinc/15/58/08/794155808.db2.gz IMYMPGCNERQSDD-LSDHHAIUSA-N 1 2 344.789 2.191 20 30 EEEDLO C=CCOCC(=O)N1C[C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC001092640951 794166883 /nfs/dbraw/zinc/16/68/83/794166883.db2.gz LBVSFNFVEYPIIW-CZUORRHYSA-N 1 2 344.459 2.371 20 30 EEEDLO CCC1(C(=O)NC[C@@]2(C)C[N@H+](Cc3cccc(C#N)c3)CCO2)CC1 ZINC001108192096 794179351 /nfs/dbraw/zinc/17/93/51/794179351.db2.gz KBPIVUIOOJLKGT-IBGZPJMESA-N 1 2 341.455 2.456 20 30 EEEDLO CCC1(C(=O)NC[C@@]2(C)C[N@@H+](Cc3cccc(C#N)c3)CCO2)CC1 ZINC001108192096 794179357 /nfs/dbraw/zinc/17/93/57/794179357.db2.gz KBPIVUIOOJLKGT-IBGZPJMESA-N 1 2 341.455 2.456 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C2CC([NH2+]Cc3nsc(N(C)C)n3)C2)C1 ZINC000999361234 794328490 /nfs/dbraw/zinc/32/84/90/794328490.db2.gz SIPQCPIYRAPLKI-UHFFFAOYSA-N 1 2 349.504 2.039 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CC=CCC3)[C@@H](O)C2)s1 ZINC001083702429 794383891 /nfs/dbraw/zinc/38/38/91/794383891.db2.gz GAYHPIZUXDFAOL-XKQJLSEDSA-N 1 2 345.468 2.027 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CC=CCC3)[C@@H](O)C2)s1 ZINC001083702429 794383901 /nfs/dbraw/zinc/38/39/01/794383901.db2.gz GAYHPIZUXDFAOL-XKQJLSEDSA-N 1 2 345.468 2.027 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C(C)(F)F ZINC001079350241 794639226 /nfs/dbraw/zinc/63/92/26/794639226.db2.gz MJVCWQKPGKGNSX-QMTHXVAHSA-N 1 2 325.334 2.289 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C(C)(F)F ZINC001079350241 794639229 /nfs/dbraw/zinc/63/92/29/794639229.db2.gz MJVCWQKPGKGNSX-QMTHXVAHSA-N 1 2 325.334 2.289 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2=COCCC2)C1 ZINC001079474505 794812347 /nfs/dbraw/zinc/81/23/47/794812347.db2.gz FDQZNVFXECTMNE-ZWNOBZJWSA-N 1 2 329.238 2.026 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2=COCCC2)C1 ZINC001079474505 794812356 /nfs/dbraw/zinc/81/23/56/794812356.db2.gz FDQZNVFXECTMNE-ZWNOBZJWSA-N 1 2 329.238 2.026 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCCCO2)C1 ZINC001079561790 794909745 /nfs/dbraw/zinc/90/97/45/794909745.db2.gz RBRVMJSYBMUNHQ-MRVWCRGKSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCCCO2)C1 ZINC001079561790 794909751 /nfs/dbraw/zinc/90/97/51/794909751.db2.gz RBRVMJSYBMUNHQ-MRVWCRGKSA-N 1 2 345.281 2.291 20 30 EEEDLO CCc1nc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cs1 ZINC001079601039 795008682 /nfs/dbraw/zinc/00/86/82/795008682.db2.gz FJRAUGYGYDUDSN-IAQYHMDHSA-N 1 2 343.456 2.156 20 30 EEEDLO CCc1nc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cs1 ZINC001079601039 795008688 /nfs/dbraw/zinc/00/86/88/795008688.db2.gz FJRAUGYGYDUDSN-IAQYHMDHSA-N 1 2 343.456 2.156 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C2CCCC2)c1C ZINC001032723226 795249953 /nfs/dbraw/zinc/24/99/53/795249953.db2.gz WXSUGJWBWJAXQU-IRXDYDNUSA-N 1 2 326.444 2.229 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C2CCCC2)c1C ZINC001032723226 795249957 /nfs/dbraw/zinc/24/99/57/795249957.db2.gz WXSUGJWBWJAXQU-IRXDYDNUSA-N 1 2 326.444 2.229 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC001079831016 795258723 /nfs/dbraw/zinc/25/87/23/795258723.db2.gz DDYPEJSFAZQWDO-GMSGAONNSA-N 1 2 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C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1CC12CC2 ZINC001080506132 796126350 /nfs/dbraw/zinc/12/63/50/796126350.db2.gz PCRHNDQTAUOHDR-CSMYWGQOSA-N 1 2 327.403 2.434 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1CC12CC2 ZINC001080506132 796126351 /nfs/dbraw/zinc/12/63/51/796126351.db2.gz PCRHNDQTAUOHDR-CSMYWGQOSA-N 1 2 327.403 2.434 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cc(F)cc(Cl)c3)nn2)C1 ZINC001094321758 796129368 /nfs/dbraw/zinc/12/93/68/796129368.db2.gz QFEFSDGPOIGSAL-UHFFFAOYSA-N 1 2 349.797 2.043 20 30 EEEDLO C=C1CC(C)(C(=O)NCC[C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001078280600 796179905 /nfs/dbraw/zinc/17/99/05/796179905.db2.gz NUOKQGZOTIWKEN-LSDHHAIUSA-N 1 2 332.448 2.202 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3cnn(C)c3)o2)C1 ZINC001080744034 796359240 /nfs/dbraw/zinc/35/92/40/796359240.db2.gz HVPHDIJSMKTZTI-BXUZGUMPSA-N 1 2 348.834 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3cnn(C)c3)o2)C1 ZINC001080744034 796359248 /nfs/dbraw/zinc/35/92/48/796359248.db2.gz HVPHDIJSMKTZTI-BXUZGUMPSA-N 1 2 348.834 2.483 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccnc3ccnn32)[C@@H]1C ZINC000993416479 796597142 /nfs/dbraw/zinc/59/71/42/796597142.db2.gz ROBAVYLBLGVPFN-QWHCGFSZSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccnc3ccnn32)[C@@H]1C ZINC000993416479 796597143 /nfs/dbraw/zinc/59/71/43/796597143.db2.gz ROBAVYLBLGVPFN-QWHCGFSZSA-N 1 2 333.823 2.065 20 30 EEEDLO C#CCOc1ncccc1C(=O)NC1C[NH+](Cc2cc(C)ccc2C)C1 ZINC001031276337 796631959 /nfs/dbraw/zinc/63/19/59/796631959.db2.gz WRZJVTLYJGGUCC-UHFFFAOYSA-N 1 2 349.434 2.325 20 30 EEEDLO CCN(CCNc1ncc(C#N)cc1Cl)C(=O)Cc1[nH]c[nH+]c1C ZINC001106813890 796690034 /nfs/dbraw/zinc/69/00/34/796690034.db2.gz YKQJHFVTDRHRMN-UHFFFAOYSA-N 1 2 346.822 2.141 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C1=CCCC1 ZINC001081527304 796797153 /nfs/dbraw/zinc/79/71/53/796797153.db2.gz SDLUEBJBMUSTCU-QZTJIDSGSA-N 1 2 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ZINC000993742546 796968108 /nfs/dbraw/zinc/96/81/08/796968108.db2.gz NMDKXLKPPFUSJR-HZMBPMFUSA-N 1 2 347.419 2.265 20 30 EEEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2scnc2C(F)F)[C@H](OC)C1 ZINC001081933695 797016761 /nfs/dbraw/zinc/01/67/61/797016761.db2.gz PVDCBDUBVKLDBP-NXEZZACHSA-N 1 2 331.388 2.086 20 30 EEEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2scnc2C(F)F)[C@H](OC)C1 ZINC001081933695 797016762 /nfs/dbraw/zinc/01/67/62/797016762.db2.gz PVDCBDUBVKLDBP-NXEZZACHSA-N 1 2 331.388 2.086 20 30 EEEDLO C=CCOC(=O)CC[C@H]([NH2+][C@H]1CCC[C@@H](OC)C1)C(=O)OCC=C ZINC001172923319 797153938 /nfs/dbraw/zinc/15/39/38/797153938.db2.gz MTWRDKDZUQQDQH-XHSDSOJGSA-N 1 2 339.432 2.141 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001082096362 797166344 /nfs/dbraw/zinc/16/63/44/797166344.db2.gz JMBRIEJOFDQXJS-KRWDZBQOSA-N 1 2 344.459 2.149 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2nc(C3CC3)no2)C[C@H]1C#N ZINC001172973509 797176970 /nfs/dbraw/zinc/17/69/70/797176970.db2.gz 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c1cnn(-c2ccc(N=NC3CCN(c4cccc[nH+]4)CC3)nn2)c1 ZINC000915972213 797462250 /nfs/dbraw/zinc/46/22/50/797462250.db2.gz JJVQUQKQHAYDLD-UHFFFAOYSA-N 1 2 334.387 2.126 20 30 EEEDLO Cc1cc(N2CCCN(C(=O)C#CC(C)C)CC2)nc(C2CC2)[nH+]1 ZINC001095178568 797488899 /nfs/dbraw/zinc/48/88/99/797488899.db2.gz XUGZYGQNRMBVKU-UHFFFAOYSA-N 1 2 326.444 2.361 20 30 EEEDLO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2n[nH]c3ccc(C)cc32)[C@@H](O)C1 ZINC001090390449 797763857 /nfs/dbraw/zinc/76/38/57/797763857.db2.gz HCRPMKTUAQBJLT-SJORKVTESA-N 1 2 342.443 2.003 20 30 EEEDLO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2n[nH]c3ccc(C)cc32)[C@@H](O)C1 ZINC001090390449 797763863 /nfs/dbraw/zinc/76/38/63/797763863.db2.gz HCRPMKTUAQBJLT-SJORKVTESA-N 1 2 342.443 2.003 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CCCCCC2=O)[C@H]1C ZINC000994365410 797852617 /nfs/dbraw/zinc/85/26/17/797852617.db2.gz PKSSFLROOGYYMH-HUUCEWRRSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCCCCC2=O)[C@H]1C ZINC000994365410 797852627 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342.415 2.214 20 30 EEEDLO COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001110224371 799634270 /nfs/dbraw/zinc/63/42/70/799634270.db2.gz MUZSSLPVPRRUDC-ZACQAIPSSA-N 1 2 332.831 2.059 20 30 EEEDLO COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001110224371 799634275 /nfs/dbraw/zinc/63/42/75/799634275.db2.gz MUZSSLPVPRRUDC-ZACQAIPSSA-N 1 2 332.831 2.059 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCC1(CNc2cc[nH+]c(C)n2)CC1 ZINC001090005206 799660623 /nfs/dbraw/zinc/66/06/23/799660623.db2.gz IKJIDXDJHIPDRI-CVEARBPZSA-N 1 2 344.459 2.465 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCc1cnn2c1C[N@H+](CCC[C@@H](C)O)CC2 ZINC001128463818 799678337 /nfs/dbraw/zinc/67/83/37/799678337.db2.gz XBHPVJAKGXCWCM-JKSUJKDBSA-N 1 2 348.491 2.078 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCc1cnn2c1C[N@@H+](CCC[C@@H](C)O)CC2 ZINC001128463818 799678340 /nfs/dbraw/zinc/67/83/40/799678340.db2.gz XBHPVJAKGXCWCM-JKSUJKDBSA-N 1 2 348.491 2.078 20 30 EEEDLO C=C1CC(C)(C(=O)NC2CC[NH+](Cc3nn(CC)nc3C)CC2)C1 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/nfs/dbraw/zinc/74/44/72/800744472.db2.gz QFCFIQIHCVBILU-MOPGFXCFSA-N 1 2 344.430 2.279 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@H]1CCCOCC1 ZINC001085572446 800803169 /nfs/dbraw/zinc/80/31/69/800803169.db2.gz YJNQWNLDUAHNDS-VQTJNVASSA-N 1 2 340.467 2.388 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@H]1CCCOCC1 ZINC001085572446 800803177 /nfs/dbraw/zinc/80/31/77/800803177.db2.gz YJNQWNLDUAHNDS-VQTJNVASSA-N 1 2 340.467 2.388 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1conc1CC ZINC001085600284 800869505 /nfs/dbraw/zinc/86/95/05/800869505.db2.gz PCJRBHCZVSIKTJ-JZXOWHBKSA-N 1 2 347.459 2.251 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1conc1CC ZINC001085600284 800869506 /nfs/dbraw/zinc/86/95/06/800869506.db2.gz PCJRBHCZVSIKTJ-JZXOWHBKSA-N 1 2 347.459 2.251 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1cn2c(n1)CCC2 ZINC001085603295 800878428 /nfs/dbraw/zinc/87/84/28/800878428.db2.gz ABVLKWKWXVOYNB-SFHVURJKSA-N 1 2 348.450 2.027 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C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)c2cccc(OC)c2)C1 ZINC001108324755 803292578 /nfs/dbraw/zinc/29/25/78/803292578.db2.gz DMXBEBULSQEJAX-FQEVSTJZSA-N 1 2 346.471 2.366 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)c2cccc(OC)c2)C1 ZINC001108324755 803292581 /nfs/dbraw/zinc/29/25/81/803292581.db2.gz DMXBEBULSQEJAX-FQEVSTJZSA-N 1 2 346.471 2.366 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3c(C)cccn3c2)C1 ZINC001108338393 803321676 /nfs/dbraw/zinc/32/16/76/803321676.db2.gz GAVXXBLSUMBFOV-LJQANCHMSA-N 1 2 327.428 2.254 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3c(C)cccn3c2)C1 ZINC001108338393 803321680 /nfs/dbraw/zinc/32/16/80/803321680.db2.gz GAVXXBLSUMBFOV-LJQANCHMSA-N 1 2 327.428 2.254 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001108349336 803335393 /nfs/dbraw/zinc/33/53/93/803335393.db2.gz CMVFOMWWLSZPFE-PXNSSMCTSA-N 1 2 328.456 2.329 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001108349336 803335397 /nfs/dbraw/zinc/33/53/97/803335397.db2.gz CMVFOMWWLSZPFE-PXNSSMCTSA-N 1 2 328.456 2.329 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2c(F)cccc2Cl)C1 ZINC001108363765 803389621 /nfs/dbraw/zinc/38/96/21/803389621.db2.gz CFKKWQSXWIUMIG-KRWDZBQOSA-N 1 2 340.826 2.415 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2c(F)cccc2Cl)C1 ZINC001108363765 803389628 /nfs/dbraw/zinc/38/96/28/803389628.db2.gz CFKKWQSXWIUMIG-KRWDZBQOSA-N 1 2 340.826 2.415 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCOc2cc(C)ccc2C)C1 ZINC001108378896 803403076 /nfs/dbraw/zinc/40/30/76/803403076.db2.gz PHPPAQDUBUTRDV-FQEVSTJZSA-N 1 2 346.471 2.465 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCOc2cc(C)ccc2C)C1 ZINC001108378896 803403085 /nfs/dbraw/zinc/40/30/85/803403085.db2.gz PHPPAQDUBUTRDV-FQEVSTJZSA-N 1 2 346.471 2.465 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001108380368 803406772 /nfs/dbraw/zinc/40/67/72/803406772.db2.gz PRFGHUCLSSBGQH-OAQYLSRUSA-N 1 2 340.467 2.409 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001108380368 803406778 /nfs/dbraw/zinc/40/67/78/803406778.db2.gz PRFGHUCLSSBGQH-OAQYLSRUSA-N 1 2 340.467 2.409 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)Oc2cccc(C)c2)C1 ZINC001108384725 803428503 /nfs/dbraw/zinc/42/85/03/803428503.db2.gz ZKACJFNEOMMJLA-APWZRJJASA-N 1 2 332.444 2.155 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)Oc2cccc(C)c2)C1 ZINC001108384725 803428505 /nfs/dbraw/zinc/42/85/05/803428505.db2.gz ZKACJFNEOMMJLA-APWZRJJASA-N 1 2 332.444 2.155 20 30 EEEDLO C=C[C@H](C(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1)c1ccccc1 ZINC001108412380 803515044 /nfs/dbraw/zinc/51/50/44/803515044.db2.gz KBUHYDNAYSQMRW-ICSRJNTNSA-N 1 2 326.440 2.187 20 30 EEEDLO C=C[C@H](C(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1)c1ccccc1 ZINC001108412380 803515047 /nfs/dbraw/zinc/51/50/47/803515047.db2.gz KBUHYDNAYSQMRW-ICSRJNTNSA-N 1 2 326.440 2.187 20 30 EEEDLO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CO[NH+]=C(N)CCO)cc1 ZINC000121346223 803731524 /nfs/dbraw/zinc/73/15/24/803731524.db2.gz JQPHJUCMUZMVGP-MRXNPFEDSA-N 1 2 347.459 2.319 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C[C@H](C)CC(C)(C)C)CC2=O)C1 ZINC001108575589 804152043 /nfs/dbraw/zinc/15/20/43/804152043.db2.gz DSOKGAABUXMQFG-LSDHHAIUSA-N 1 2 335.492 2.036 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@H](C)CCC(C)(C)C)CC2=O)C1 ZINC001108586702 804213634 /nfs/dbraw/zinc/21/36/34/804213634.db2.gz BHEFQKVFQKPYEL-CVEARBPZSA-N 1 2 349.519 2.426 20 30 EEEDLO C[C@H](CC(=O)N[C@@H](C)CNc1cccc(F)c1C#N)n1cc[nH+]c1 ZINC001108721707 804398100 /nfs/dbraw/zinc/39/81/00/804398100.db2.gz VIWOUZIZBNKBOJ-QWHCGFSZSA-N 1 2 329.379 2.462 20 30 EEEDLO C=CCOCCCC(=O)N[C@H](C)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001108907667 804671380 /nfs/dbraw/zinc/67/13/80/804671380.db2.gz GWAHHFYREMGRMA-CYBMUJFWSA-N 1 2 334.464 2.326 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C2 ZINC001109304916 805279631 /nfs/dbraw/zinc/27/96/31/805279631.db2.gz ACZSLHDPYBXCEG-BIVLZKPYSA-N 1 2 347.503 2.082 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C2 ZINC001109304916 805279637 /nfs/dbraw/zinc/27/96/37/805279637.db2.gz ACZSLHDPYBXCEG-BIVLZKPYSA-N 1 2 347.503 2.082 20 30 EEEDLO Cc1ccc(C#N)c(NCCCN(C)C(=O)CCCn2cc[nH+]c2)n1 ZINC001109470086 805521142 /nfs/dbraw/zinc/52/11/42/805521142.db2.gz KHOBSENCCISWIY-UHFFFAOYSA-N 1 2 340.431 2.199 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cncc(OC)c1)C2 ZINC001109506120 805562902 /nfs/dbraw/zinc/56/29/02/805562902.db2.gz WTZAEKWAZIHYAO-PVAVHDDUSA-N 1 2 349.862 2.497 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cncc(OC)c1)C2 ZINC001109506120 805562910 /nfs/dbraw/zinc/56/29/10/805562910.db2.gz WTZAEKWAZIHYAO-PVAVHDDUSA-N 1 2 349.862 2.497 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC001112804362 807281495 /nfs/dbraw/zinc/28/14/95/807281495.db2.gz KRATVYNVVIJJGG-FQEVSTJZSA-N 1 2 346.471 2.154 20 30 EEEDLO C#CCCCC(=O)N1CC[NH+](CCOc2ccccc2OCC)CC1 ZINC001112809892 807298573 /nfs/dbraw/zinc/29/85/73/807298573.db2.gz WKUGKEJRQDQUPV-UHFFFAOYSA-N 1 2 344.455 2.412 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC1CC(CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001112870175 807509092 /nfs/dbraw/zinc/50/90/92/807509092.db2.gz PDEAQUDVDMLTAR-JRSKDTKFSA-N 1 2 346.479 2.155 20 30 EEEDLO C#CCOCCC(=O)N[C@@H](C)[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001113165225 808321778 /nfs/dbraw/zinc/32/17/78/808321778.db2.gz HVOGOTPNFZSEDU-GJZGRUSLSA-N 1 2 332.448 2.253 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C(=O)NC)cc2)CC1 ZINC001113241911 808527287 /nfs/dbraw/zinc/52/72/87/808527287.db2.gz UUESPAKOEFAFBZ-INIZCTEOSA-N 1 2 343.471 2.293 20 30 EEEDLO COC(=O)c1cc2c(o1)c(OC)ccc2C=NNc1[nH+]ccn1C ZINC000790306229 808601878 /nfs/dbraw/zinc/60/18/78/808601878.db2.gz SVSGUVFLOXABID-UHFFFAOYSA-N 1 2 328.328 2.408 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](CCOc2cccc(CC)c2)CC1 ZINC001113715110 809622363 /nfs/dbraw/zinc/62/23/63/809622363.db2.gz SGXATHSEPRFSTH-QGZVFWFLSA-N 1 2 346.471 2.363 20 30 EEEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nnc(C4CC4)n3C3CC3)C[C@H]21 ZINC001114020406 810197763 /nfs/dbraw/zinc/19/77/63/810197763.db2.gz IHYFGVOJPKFUFX-HWWDLCQESA-N 1 2 341.459 2.003 20 30 EEEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C4CC4)n3C3CC3)C[C@H]21 ZINC001114020406 810197766 /nfs/dbraw/zinc/19/77/66/810197766.db2.gz IHYFGVOJPKFUFX-HWWDLCQESA-N 1 2 341.459 2.003 20 30 EEEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1ccnc(C)n1 ZINC001437769765 1090351346 /nfs/dbraw/zinc/35/13/46/1090351346.db2.gz SPTDWVVKCIYMJL-UHFFFAOYSA-N 1 2 341.253 2.135 20 30 EEEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1ccnc(C)n1 ZINC001437769765 1090351354 /nfs/dbraw/zinc/35/13/54/1090351354.db2.gz SPTDWVVKCIYMJL-UHFFFAOYSA-N 1 2 341.253 2.135 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc(OC)ncn2)C1 ZINC001437895231 1090475003 /nfs/dbraw/zinc/47/50/03/1090475003.db2.gz QCSLYNWZPQNJMK-CYBMUJFWSA-N 1 2 338.839 2.164 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc(OC)ncn2)C1 ZINC001437895231 1090475013 /nfs/dbraw/zinc/47/50/13/1090475013.db2.gz QCSLYNWZPQNJMK-CYBMUJFWSA-N 1 2 338.839 2.164 20 30 EEEDLO CCc1cc(C(=O)N(C)CC[N@H+](C)Cc2ccc(C#N)cc2F)[nH]n1 ZINC001438860782 1091495351 /nfs/dbraw/zinc/49/53/51/1091495351.db2.gz XAGZOHSVUKYGFU-UHFFFAOYSA-N 1 2 343.406 2.187 20 30 EEEDLO CCc1cc(C(=O)N(C)CC[N@@H+](C)Cc2ccc(C#N)cc2F)[nH]n1 ZINC001438860782 1091495356 /nfs/dbraw/zinc/49/53/56/1091495356.db2.gz XAGZOHSVUKYGFU-UHFFFAOYSA-N 1 2 343.406 2.187 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ncn(-c2ccccc2)n1 ZINC001445757231 1091598969 /nfs/dbraw/zinc/59/89/69/1091598969.db2.gz VGIVCSILQDPPAR-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ncn(-c2ccccc2)n1 ZINC001445757231 1091598981 /nfs/dbraw/zinc/59/89/81/1091598981.db2.gz VGIVCSILQDPPAR-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC001441038951 1094333475 /nfs/dbraw/zinc/33/34/75/1094333475.db2.gz SARDEPDIAZZJIJ-LLVKDONJSA-N 1 2 336.823 2.082 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC001441038951 1094333487 /nfs/dbraw/zinc/33/34/87/1094333487.db2.gz SARDEPDIAZZJIJ-LLVKDONJSA-N 1 2 336.823 2.082 20 30 EEEDLO CC[C@@H](C)CC(=O)NCC[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC001441054972 1094348773 /nfs/dbraw/zinc/34/87/73/1094348773.db2.gz RPSXVWVBZQKIPX-QGZVFWFLSA-N 1 2 342.487 2.228 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC001442596295 1096966329 /nfs/dbraw/zinc/96/63/29/1096966329.db2.gz ASVWTZKAGZYPAM-LLVKDONJSA-N 1 2 326.872 2.016 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC001442596295 1096966333 /nfs/dbraw/zinc/96/63/33/1096966333.db2.gz ASVWTZKAGZYPAM-LLVKDONJSA-N 1 2 326.872 2.016 20 30 EEEDLO C[C@@]1(C(=O)NCC[N@H+](Cc2cc(C#N)ccc2F)C2CC2)CCOC1 ZINC001443044116 1097452567 /nfs/dbraw/zinc/45/25/67/1097452567.db2.gz VIWFUSJQKQRJQZ-LJQANCHMSA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@@]1(C(=O)NCC[N@@H+](Cc2cc(C#N)ccc2F)C2CC2)CCOC1 ZINC001443044116 1097452571 /nfs/dbraw/zinc/45/25/71/1097452571.db2.gz VIWFUSJQKQRJQZ-LJQANCHMSA-N 1 2 345.418 2.205 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)COC(C)C)CC1 ZINC001479883433 1099254455 /nfs/dbraw/zinc/25/44/55/1099254455.db2.gz RSZFEYVEEJRHCT-UHFFFAOYSA-N 1 2 333.270 2.243 20 30 EEEDLO CCCCC(=O)NCC[NH+]1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC001479925690 1099339871 /nfs/dbraw/zinc/33/98/71/1099339871.db2.gz BGYGTXVHMLRSQF-UHFFFAOYSA-N 1 2 346.450 2.121 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC([C@@H](C)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001497607743 1102740520 /nfs/dbraw/zinc/74/05/20/1102740520.db2.gz RBLFXMUIYYSLKE-BEFAXECRSA-N 1 2 346.475 2.229 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1c(CC)nn(C)c1Cl ZINC001448105817 1104017282 /nfs/dbraw/zinc/01/72/82/1104017282.db2.gz BRELTKLFYLRKOQ-JTQLQIEISA-N 1 2 333.263 2.439 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1c(CC)nn(C)c1Cl ZINC001448105817 1104017294 /nfs/dbraw/zinc/01/72/94/1104017294.db2.gz BRELTKLFYLRKOQ-JTQLQIEISA-N 1 2 333.263 2.439 20 30 EEEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC001459338061 1110149461 /nfs/dbraw/zinc/14/94/61/1110149461.db2.gz VNKKJEZXXKMGBH-DLBZAZTESA-N 1 2 340.427 2.095 20 30 EEEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC001459338061 1110149464 /nfs/dbraw/zinc/14/94/64/1110149464.db2.gz VNKKJEZXXKMGBH-DLBZAZTESA-N 1 2 340.427 2.095 20 30 EEEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc[nH+]c2N)c1 ZINC001477923858 1110648129 /nfs/dbraw/zinc/64/81/29/1110648129.db2.gz HEIATPCXAGSBGU-HNNXBMFYSA-N 1 2 339.399 2.344 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1snnc1C ZINC001502158362 1113620056 /nfs/dbraw/zinc/62/00/56/1113620056.db2.gz OXRYBHGXGSDDJF-UHFFFAOYSA-N 1 2 347.282 2.149 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1snnc1C ZINC001502158362 1113620055 /nfs/dbraw/zinc/62/00/55/1113620055.db2.gz OXRYBHGXGSDDJF-UHFFFAOYSA-N 1 2 347.282 2.149 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnn2cccc(OC)c12 ZINC001506022061 1114351692 /nfs/dbraw/zinc/35/16/92/1114351692.db2.gz UTVPCCOLSGCBRQ-GFCCVEGCSA-N 1 2 336.823 2.146 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnn2cccc(OC)c12 ZINC001506022061 1114351694 /nfs/dbraw/zinc/35/16/94/1114351694.db2.gz UTVPCCOLSGCBRQ-GFCCVEGCSA-N 1 2 336.823 2.146 20 30 EEEDLO C#CCCN(CCOC)c1nnc([C@@H]2CCCC[N@@H+]2C)n1CC(=C)C ZINC001515995392 1118992707 /nfs/dbraw/zinc/99/27/07/1118992707.db2.gz ABZAPXLMPPWHTQ-KRWDZBQOSA-N 1 2 345.491 2.487 20 30 EEEDLO C#CCCN(CCOC)c1nnc([C@@H]2CCCC[N@H+]2C)n1CC(=C)C ZINC001515995392 1118992709 /nfs/dbraw/zinc/99/27/09/1118992709.db2.gz ABZAPXLMPPWHTQ-KRWDZBQOSA-N 1 2 345.491 2.487 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@](F)(C#N)C1 ZINC001515996700 1118992878 /nfs/dbraw/zinc/99/28/78/1118992878.db2.gz IFPLPNZXKRHUHU-RHSMWYFYSA-N 1 2 332.427 2.453 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@](F)(C#N)C1 ZINC001515996700 1118992879 /nfs/dbraw/zinc/99/28/79/1118992879.db2.gz IFPLPNZXKRHUHU-RHSMWYFYSA-N 1 2 332.427 2.453 20 30 EEEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCC[N@@H+]2C)n1CCCOCC ZINC001516322837 1119001131 /nfs/dbraw/zinc/00/11/31/1119001131.db2.gz RIRUSTJNNBEIJX-CVEARBPZSA-N 1 2 333.480 2.319 20 30 EEEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCC[N@H+]2C)n1CCCOCC ZINC001516322837 1119001135 /nfs/dbraw/zinc/00/11/35/1119001135.db2.gz RIRUSTJNNBEIJX-CVEARBPZSA-N 1 2 333.480 2.319 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001520596497 1119179334 /nfs/dbraw/zinc/17/93/34/1119179334.db2.gz PALCKHHERBGYHF-OAHLLOKOSA-N 1 2 344.463 2.040 20 30 EEEDLO N#Cc1ccc(CC(=O)Nc2ccc(C(N)=O)cc2-n2cc[nH+]c2)cc1 ZINC001526382795 1120510332 /nfs/dbraw/zinc/51/03/32/1120510332.db2.gz LSYZXDOKLNLTGD-UHFFFAOYSA-N 1 2 345.362 2.024 20 30 EEEDLO CC(=O)Nc1cccc2c1CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000054389965 214235509 /nfs/dbraw/zinc/23/55/09/214235509.db2.gz QQQQYAMFOIBDLP-LJQANCHMSA-N 1 2 342.443 2.058 20 30 EEEDLO CC(=O)Nc1cccc2c1CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000054389965 214235512 /nfs/dbraw/zinc/23/55/12/214235512.db2.gz QQQQYAMFOIBDLP-LJQANCHMSA-N 1 2 342.443 2.058 20 30 EEEDLO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554479 219136672 /nfs/dbraw/zinc/13/66/72/219136672.db2.gz YVSLNMZGEYIBCN-CVEARBPZSA-N 1 2 328.460 2.374 20 30 EEEDLO O=C(Nc1cccc(C(=O)N2CCn3cc[nH+]c3C2)c1)NC1CC1 ZINC000329716652 539781223 /nfs/dbraw/zinc/78/12/23/539781223.db2.gz WSJKBTBASREFHQ-UHFFFAOYSA-N 1 2 325.372 2.027 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCc1ccccc1Cl ZINC000060634198 236930938 /nfs/dbraw/zinc/93/09/38/236930938.db2.gz FQDGTQYGKWYOOA-UHFFFAOYSA-N 1 2 349.862 2.347 20 30 EEEDLO N#CCC1(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)CC1 ZINC000362338163 238226475 /nfs/dbraw/zinc/22/64/75/238226475.db2.gz BPHZZEZMVDSVHO-CQSZACIVSA-N 1 2 348.472 2.114 20 30 EEEDLO Cc1cc(C)c(C#N)c(N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)n1 ZINC000418939330 239378487 /nfs/dbraw/zinc/37/84/87/239378487.db2.gz FTXUYHNMBQCBLD-IBGZPJMESA-N 1 2 344.459 2.470 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCOc2ccc(OC)cc2C1 ZINC000451640910 243187233 /nfs/dbraw/zinc/18/72/33/243187233.db2.gz FYRJIDOBDCENOV-HNNXBMFYSA-N 1 2 330.428 2.479 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCOc2ccc(OC)cc2C1 ZINC000451640910 243187237 /nfs/dbraw/zinc/18/72/37/243187237.db2.gz FYRJIDOBDCENOV-HNNXBMFYSA-N 1 2 330.428 2.479 20 30 EEEDLO N#Cc1ccc([C@@H](O)CN2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000268721021 252170272 /nfs/dbraw/zinc/17/02/72/252170272.db2.gz ZVCWPJVLXAFVMX-FQEVSTJZSA-N 1 2 337.423 2.115 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](Cc3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000268798471 252251935 /nfs/dbraw/zinc/25/19/35/252251935.db2.gz CNYCSXHJRGJLKL-UHFFFAOYSA-N 1 2 341.346 2.323 20 30 EEEDLO C#CCN(C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)C1CC1 ZINC000491752710 533084411 /nfs/dbraw/zinc/08/44/11/533084411.db2.gz WTZTZVAHYYUJKS-HUUCEWRRSA-N 1 2 342.443 2.002 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267598510 256071288 /nfs/dbraw/zinc/07/12/88/256071288.db2.gz WSQIEZWFQVSPHF-UHFFFAOYSA-N 1 2 330.413 2.158 20 30 EEEDLO Cc1c(Cl)cnc(Nc2cnn(CC[NH+]3CCOCC3)c2)c1C#N ZINC000273362632 256290107 /nfs/dbraw/zinc/29/01/07/256290107.db2.gz QVZHNEMMMJJEHN-UHFFFAOYSA-N 1 2 346.822 2.187 20 30 EEEDLO Cc1nc(N2CCN(c3ncc(Cl)c(C)c3C#N)CC2)cc[nH+]1 ZINC000273511349 256303046 /nfs/dbraw/zinc/30/30/46/256303046.db2.gz QDDWVUSLMYOPGF-UHFFFAOYSA-N 1 2 328.807 2.340 20 30 EEEDLO C[N@H+](CCOc1ccccc1F)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115532962 152027651 /nfs/dbraw/zinc/02/76/51/152027651.db2.gz RRCLOELHUSEHDS-KRWDZBQOSA-N 1 2 327.359 2.235 20 30 EEEDLO C[N@@H+](CCOc1ccccc1F)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115532962 152027656 /nfs/dbraw/zinc/02/76/56/152027656.db2.gz RRCLOELHUSEHDS-KRWDZBQOSA-N 1 2 327.359 2.235 20 30 EEEDLO C[C@H](CN[C@H](C(N)=O)c1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000115596526 152032071 /nfs/dbraw/zinc/03/20/71/152032071.db2.gz FDGAJZBKUULZGF-QRWLVFNGSA-N 1 2 348.450 2.121 20 30 EEEDLO C[C@H](CN[C@H](C(N)=O)c1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000115596526 152032077 /nfs/dbraw/zinc/03/20/77/152032077.db2.gz FDGAJZBKUULZGF-QRWLVFNGSA-N 1 2 348.450 2.121 20 30 EEEDLO Cn1cc[nH+]c1-c1cccc(NS(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000108638808 159342518 /nfs/dbraw/zinc/34/25/18/159342518.db2.gz GUWUNXVTELJCQZ-UHFFFAOYSA-N 1 2 339.380 2.155 20 30 EEEDLO COC(=O)[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]1C ZINC000355382029 163170418 /nfs/dbraw/zinc/17/04/18/163170418.db2.gz ZSFYDAPOILNZEO-IUODEOHRSA-N 1 2 340.383 2.239 20 30 EEEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]1C ZINC000355382029 163170420 /nfs/dbraw/zinc/17/04/20/163170420.db2.gz ZSFYDAPOILNZEO-IUODEOHRSA-N 1 2 340.383 2.239 20 30 EEEDLO N#Cc1ccc(C(=O)CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000356157501 163353396 /nfs/dbraw/zinc/35/33/96/163353396.db2.gz UBMIMYUQOALRGO-UHFFFAOYSA-N 1 2 344.374 2.416 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CSc2ccc(C#N)cc2)C1 ZINC000374370290 167026985 /nfs/dbraw/zinc/02/69/85/167026985.db2.gz WUHXCDUQUBWDIX-AWEZNQCLSA-N 1 2 326.425 2.400 20 30 EEEDLO CCC[C@H](OCC)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527686672 267037812 /nfs/dbraw/zinc/03/78/12/267037812.db2.gz IEICNCYRTBBNQU-SFHVURJKSA-N 1 2 329.444 2.408 20 30 EEEDLO CN(C)c1cc(C#N)cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000432503147 267291536 /nfs/dbraw/zinc/29/15/36/267291536.db2.gz JGKLNTFYRXKTPB-UHFFFAOYSA-N 1 2 337.427 2.130 20 30 EEEDLO Cc1cc(C#N)cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000332615708 267304754 /nfs/dbraw/zinc/30/47/54/267304754.db2.gz BIPSVQVDVBSRJY-WMLDXEAASA-N 1 2 328.416 2.194 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247017954 267308447 /nfs/dbraw/zinc/30/84/47/267308447.db2.gz DHLWNVJVUVFBGW-BBRMVZONSA-N 1 2 344.440 2.335 20 30 EEEDLO Cc1cc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)c(C#N)cc1N(C)C ZINC000436500795 268010489 /nfs/dbraw/zinc/01/04/89/268010489.db2.gz ZWXGOGSUSUZOMO-CYBMUJFWSA-N 1 2 326.404 2.339 20 30 EEEDLO Cc1noc([C@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccccc2C#N)n1 ZINC000528508467 268100515 /nfs/dbraw/zinc/10/05/15/268100515.db2.gz WHBLHWLGLKTLEH-HZPDHXFCSA-N 1 2 342.399 2.217 20 30 EEEDLO Cc1noc([C@H]2CCCC[N@H+]2C[C@@H](O)COc2ccccc2C#N)n1 ZINC000528508467 268100516 /nfs/dbraw/zinc/10/05/16/268100516.db2.gz WHBLHWLGLKTLEH-HZPDHXFCSA-N 1 2 342.399 2.217 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)o1 ZINC000286452807 268202059 /nfs/dbraw/zinc/20/20/59/268202059.db2.gz ITGKZCVPMSXALD-AWEZNQCLSA-N 1 2 349.412 2.250 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)[C@H](C(N)=O)C1 ZINC000191841167 274053276 /nfs/dbraw/zinc/05/32/76/274053276.db2.gz GWYYUWXWCOTFKN-HZMBPMFUSA-N 1 2 336.233 2.407 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)[C@H](C(N)=O)C1 ZINC000191841167 274053277 /nfs/dbraw/zinc/05/32/77/274053277.db2.gz GWYYUWXWCOTFKN-HZMBPMFUSA-N 1 2 336.233 2.407 20 30 EEEDLO CCN1CCN(c2ccc(C#N)cc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000359990180 279373172 /nfs/dbraw/zinc/37/31/72/279373172.db2.gz BYWXEZDMXXNAFU-OAHLLOKOSA-N 1 2 326.360 2.073 20 30 EEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(Nc3ccccn3)CC2)cc1 ZINC000536372609 317994795 /nfs/dbraw/zinc/99/47/95/317994795.db2.gz ZEQBXQGGMHXVQV-UHFFFAOYSA-N 1 2 335.411 2.468 20 30 EEEDLO COc1cc(C#N)ccc1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000547417046 318286395 /nfs/dbraw/zinc/28/63/95/318286395.db2.gz OCZYPLFRWNFLPZ-UHFFFAOYSA-N 1 2 325.372 2.350 20 30 EEEDLO Cc1onc(CC(=O)NCCNc2ccc3ccccc3[nH+]2)c1C#N ZINC000611528428 449323719 /nfs/dbraw/zinc/32/37/19/449323719.db2.gz NUPIBLZTILBVQU-UHFFFAOYSA-N 1 2 335.367 2.174 20 30 EEEDLO C[N@@H+]1CCN(S(=O)(=O)CC(C)(C)CC#N)[C@H](c2ccccc2)C1 ZINC000296056146 465066263 /nfs/dbraw/zinc/06/62/63/465066263.db2.gz ULJJHHRBMYCWIT-INIZCTEOSA-N 1 2 335.473 2.245 20 30 EEEDLO C[N@H+]1CCN(S(=O)(=O)CC(C)(C)CC#N)[C@H](c2ccccc2)C1 ZINC000296056146 465066270 /nfs/dbraw/zinc/06/62/70/465066270.db2.gz ULJJHHRBMYCWIT-INIZCTEOSA-N 1 2 335.473 2.245 20 30 EEEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)C1 ZINC000328854922 465147963 /nfs/dbraw/zinc/14/79/63/465147963.db2.gz TUTUPPXPXNRHPA-UWVGGRQHSA-N 1 2 331.367 2.371 20 30 EEEDLO CC(C)N1CCC[C@H]([N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1=O ZINC000328912511 465165048 /nfs/dbraw/zinc/16/50/48/465165048.db2.gz PAWYEJRLQNOYNP-ROUUACIJSA-N 1 2 327.428 2.331 20 30 EEEDLO CC(C)N1CCC[C@H]([N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1=O ZINC000328912511 465165053 /nfs/dbraw/zinc/16/50/53/465165053.db2.gz PAWYEJRLQNOYNP-ROUUACIJSA-N 1 2 327.428 2.331 20 30 EEEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3ccc(Cl)s3)CC2)C1=O ZINC000337126099 465204647 /nfs/dbraw/zinc/20/46/47/465204647.db2.gz FOMLCZZJXUFYPS-AWEZNQCLSA-N 1 2 339.892 2.306 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2COCCN2C)C[C@H](C)O1 ZINC000329059906 465219750 /nfs/dbraw/zinc/21/97/50/465219750.db2.gz ULYJPZUHSPELTO-DAYGRLMNSA-N 1 2 347.459 2.214 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2COCCN2C)C[C@H](C)O1 ZINC000329059906 465219760 /nfs/dbraw/zinc/21/97/60/465219760.db2.gz ULYJPZUHSPELTO-DAYGRLMNSA-N 1 2 347.459 2.214 20 30 EEEDLO C=CC[C@@H](CO)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000341702732 465255311 /nfs/dbraw/zinc/25/53/11/465255311.db2.gz KTKFQAFVTRPBNO-CZUORRHYSA-N 1 2 346.406 2.132 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000329225366 465273555 /nfs/dbraw/zinc/27/35/55/465273555.db2.gz DAMZTWVMOLGPAI-ILXRZTDVSA-N 1 2 339.480 2.042 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000341973557 465279675 /nfs/dbraw/zinc/27/96/75/465279675.db2.gz HFJGTWCBSOVNOI-UHFFFAOYSA-N 1 2 341.864 2.270 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000341989205 465282210 /nfs/dbraw/zinc/28/22/10/465282210.db2.gz JPGAMOTXIBJQNS-UHFFFAOYSA-N 1 2 346.818 2.402 20 30 EEEDLO CN(C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)C1CCC1 ZINC000329349483 465308197 /nfs/dbraw/zinc/30/81/97/465308197.db2.gz SRKPUOQFIWXVJK-RHSMWYFYSA-N 1 2 345.447 2.013 20 30 EEEDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329497502 465354552 /nfs/dbraw/zinc/35/45/52/465354552.db2.gz GKQBNPJAUPHWME-YSVLISHTSA-N 1 2 331.416 2.058 20 30 EEEDLO CCOc1cccc(/C=[NH+]/C2CCN(C(=O)CCOC)CC2)c1O ZINC000128481837 462643202 /nfs/dbraw/zinc/64/32/02/462643202.db2.gz PJUVTMCKBTZZFI-CPNJWEJPSA-N 1 2 334.416 2.237 20 30 EEEDLO Cc1ccccc1N1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000006982888 462715042 /nfs/dbraw/zinc/71/50/42/462715042.db2.gz RQXBZTCYLKFMIS-LJQANCHMSA-N 1 2 328.460 2.172 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1ccc(C#N)cc1 ZINC000007674679 462745837 /nfs/dbraw/zinc/74/58/37/462745837.db2.gz QZKYLUWNZSEXBD-UHFFFAOYSA-N 1 2 340.408 2.195 20 30 EEEDLO COc1cccc(Cl)c1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000154764130 462806220 /nfs/dbraw/zinc/80/62/20/462806220.db2.gz CABIXHCFYNVART-UHFFFAOYSA-N 1 2 337.851 2.396 20 30 EEEDLO N#CCN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1CC1 ZINC000065894561 462837157 /nfs/dbraw/zinc/83/71/57/462837157.db2.gz MFAXIMKIKIEBML-UHFFFAOYSA-N 1 2 337.383 2.040 20 30 EEEDLO C=CC[N@@H+](CCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559874 462903231 /nfs/dbraw/zinc/90/32/31/462903231.db2.gz SUIOWNOPQTXXGR-OAHLLOKOSA-N 1 2 327.421 2.270 20 30 EEEDLO C=CC[N@H+](CCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559874 462903242 /nfs/dbraw/zinc/90/32/42/462903242.db2.gz SUIOWNOPQTXXGR-OAHLLOKOSA-N 1 2 327.421 2.270 20 30 EEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(c2nccs2)CC1 ZINC000077248163 462960240 /nfs/dbraw/zinc/96/02/40/462960240.db2.gz CQUXVZNZUSCJOS-UHFFFAOYSA-N 1 2 344.440 2.224 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2cccc(CC#N)c2)CC1(C)C ZINC000590759277 468329630 /nfs/dbraw/zinc/32/96/30/468329630.db2.gz LAUJRMRDDBNLIE-HNNXBMFYSA-N 1 2 344.440 2.258 20 30 EEEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000156483528 463030029 /nfs/dbraw/zinc/03/00/29/463030029.db2.gz ACXWCXQGZWQVSC-SFHVURJKSA-N 1 2 332.411 2.112 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N(C)C2CCC(C)CC2)cs1 ZINC000121047084 463069368 /nfs/dbraw/zinc/06/93/68/463069368.db2.gz HXRICBYAXNLDGJ-UHFFFAOYSA-N 1 2 338.477 2.320 20 30 EEEDLO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078691673 463141734 /nfs/dbraw/zinc/14/17/34/463141734.db2.gz BOLBCUUEXFNECU-JZXOWHBKSA-N 1 2 328.460 2.172 20 30 EEEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)Cc3cccc(C#N)c3)cn2c1 ZINC000079287366 463202662 /nfs/dbraw/zinc/20/26/62/463202662.db2.gz VYYAMEVTLPVQGS-UHFFFAOYSA-N 1 2 340.408 2.134 20 30 EEEDLO Cc1nnc([C@H](C)O[NH+]=C(N)c2ccc(N3CCCCC3)nc2)o1 ZINC000122222867 463247636 /nfs/dbraw/zinc/24/76/36/463247636.db2.gz ZMWASJXSLOGWHV-NSHDSACASA-N 1 2 330.392 2.161 20 30 EEEDLO CCc1ccccc1NC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445612 463257544 /nfs/dbraw/zinc/25/75/44/463257544.db2.gz DNMQYDKALAMWBX-UHFFFAOYSA-N 1 2 349.438 2.276 20 30 EEEDLO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000138956055 463316209 /nfs/dbraw/zinc/31/62/09/463316209.db2.gz YTAXWSHZBPMAMY-OCCSQVGLSA-N 1 2 347.415 2.370 20 30 EEEDLO CCOC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000138956055 463316213 /nfs/dbraw/zinc/31/62/13/463316213.db2.gz YTAXWSHZBPMAMY-OCCSQVGLSA-N 1 2 347.415 2.370 20 30 EEEDLO COc1ccc([C@@H](NC(=O)c2ccc(C#N)cn2)c2[nH+]ccn2C)cc1 ZINC000522111115 468355128 /nfs/dbraw/zinc/35/51/28/468355128.db2.gz JSBSKKTYXVZFQW-QGZVFWFLSA-N 1 2 347.378 2.215 20 30 EEEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2cccc(C#N)c2)CC1 ZINC000032431354 463376627 /nfs/dbraw/zinc/37/66/27/463376627.db2.gz VTISKXXZPUNLCY-UHFFFAOYSA-N 1 2 348.406 2.198 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(SC(F)F)cc2)CC1 ZINC000085269433 463643704 /nfs/dbraw/zinc/64/37/04/463643704.db2.gz SDMYWZZBVCJMGP-UHFFFAOYSA-N 1 2 339.411 2.191 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cn4ccccc4n3)CC2)cc1 ZINC000043545387 463646544 /nfs/dbraw/zinc/64/65/44/463646544.db2.gz AHHXQIDCANAHKB-UHFFFAOYSA-N 1 2 345.406 2.164 20 30 EEEDLO CN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000170646557 463688414 /nfs/dbraw/zinc/68/84/14/463688414.db2.gz ARQRKCYZYDTODZ-UHFFFAOYSA-N 1 2 348.450 2.339 20 30 EEEDLO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)Nc2ccncc2)CC1 ZINC000171053288 463769517 /nfs/dbraw/zinc/76/95/17/463769517.db2.gz LAKVJVLXPKAPMW-UHFFFAOYSA-N 1 2 335.411 2.104 20 30 EEEDLO N#Cc1ccccc1N1CCC[N@H+](CC(=O)Nc2ccncc2)CC1 ZINC000171053288 463769522 /nfs/dbraw/zinc/76/95/22/463769522.db2.gz LAKVJVLXPKAPMW-UHFFFAOYSA-N 1 2 335.411 2.104 20 30 EEEDLO CCN(C(=O)[C@@H](C)[NH+]1CCN(C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000185433048 463821727 /nfs/dbraw/zinc/82/17/27/463821727.db2.gz MLFKRUBZMXWNEQ-JKSUJKDBSA-N 1 2 328.460 2.104 20 30 EEEDLO Cc1cccc([C@H](CNC(=O)CC(C)(C)C#N)[NH+]2CCOCC2)c1 ZINC000278595993 463973407 /nfs/dbraw/zinc/97/34/07/463973407.db2.gz UQIAWSVJGRRMKR-KRWDZBQOSA-N 1 2 329.444 2.424 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2C)CC1 ZINC000283705720 463979065 /nfs/dbraw/zinc/97/90/65/463979065.db2.gz WCISDKLOYCUDDF-UHFFFAOYSA-N 1 2 340.402 2.101 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(C)oc3C)n2CC(=C)C)CC1 ZINC000283726958 463986916 /nfs/dbraw/zinc/98/69/16/463986916.db2.gz YHUIITGXMQWLIN-UHFFFAOYSA-N 1 2 339.443 2.486 20 30 EEEDLO Cn1ccnc1C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278990324 464020851 /nfs/dbraw/zinc/02/08/51/464020851.db2.gz BEOPXMZTDFJHFI-UHFFFAOYSA-N 1 2 335.415 2.224 20 30 EEEDLO Cn1ccnc1C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278990324 464020855 /nfs/dbraw/zinc/02/08/55/464020855.db2.gz BEOPXMZTDFJHFI-UHFFFAOYSA-N 1 2 335.415 2.224 20 30 EEEDLO CN(Cc1cn(CCC#N)nc1-c1ccncc1)Cc1[nH+]ccn1C ZINC000278990324 464020859 /nfs/dbraw/zinc/02/08/59/464020859.db2.gz BEOPXMZTDFJHFI-UHFFFAOYSA-N 1 2 335.415 2.224 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000289580230 464085751 /nfs/dbraw/zinc/08/57/51/464085751.db2.gz WIYFDPMJGBIWMB-OAQYLSRUSA-N 1 2 348.446 2.400 20 30 EEEDLO C=C[C@H](CO)[NH2+]Cc1ncc(Br)cc1Br ZINC000290003921 464103732 /nfs/dbraw/zinc/10/37/32/464103732.db2.gz YJVWBTZHOCBOAP-MRVPVSSYSA-N 1 2 336.027 2.243 20 30 EEEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000263874064 464222763 /nfs/dbraw/zinc/22/27/63/464222763.db2.gz HDDVLPYFLCPZAF-UHFFFAOYSA-N 1 2 344.400 2.030 20 30 EEEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000263874064 464222768 /nfs/dbraw/zinc/22/27/68/464222768.db2.gz HDDVLPYFLCPZAF-UHFFFAOYSA-N 1 2 344.400 2.030 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280650359 464227065 /nfs/dbraw/zinc/22/70/65/464227065.db2.gz ZBTDUEOUUYMQEC-LIRRHRJNSA-N 1 2 343.427 2.155 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280650359 464227071 /nfs/dbraw/zinc/22/70/71/464227071.db2.gz ZBTDUEOUUYMQEC-LIRRHRJNSA-N 1 2 343.427 2.155 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1=O ZINC000281418809 464447742 /nfs/dbraw/zinc/44/77/42/464447742.db2.gz ROBCCAAXENUYAW-CVEARBPZSA-N 1 2 347.846 2.164 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1=O ZINC000281418809 464447748 /nfs/dbraw/zinc/44/77/48/464447748.db2.gz ROBCCAAXENUYAW-CVEARBPZSA-N 1 2 347.846 2.164 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(F)cc2cccnc21 ZINC000174830671 464456357 /nfs/dbraw/zinc/45/63/57/464456357.db2.gz SDDKINKTCXANNU-UHFFFAOYSA-N 1 2 342.418 2.422 20 30 EEEDLO C[C@H]1C(=O)NCCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000189271572 464466730 /nfs/dbraw/zinc/46/67/30/464466730.db2.gz XVXFFNBREHIRKZ-LBPRGKRZSA-N 1 2 326.318 2.147 20 30 EEEDLO C[C@H]1C(=O)NCCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000189271572 464466733 /nfs/dbraw/zinc/46/67/33/464466733.db2.gz XVXFFNBREHIRKZ-LBPRGKRZSA-N 1 2 326.318 2.147 20 30 EEEDLO CN1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1c1nc(C2CC2)no1 ZINC000285421318 464558219 /nfs/dbraw/zinc/55/82/19/464558219.db2.gz HMLBBDHRZKQSQD-MRXNPFEDSA-N 1 2 341.390 2.446 20 30 EEEDLO CN1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1c1nc(C2CC2)no1 ZINC000285421318 464558229 /nfs/dbraw/zinc/55/82/29/464558229.db2.gz HMLBBDHRZKQSQD-MRXNPFEDSA-N 1 2 341.390 2.446 20 30 EEEDLO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H](C)C#N)[nH+]c12 ZINC000546823673 468409792 /nfs/dbraw/zinc/40/97/92/468409792.db2.gz PPTLLXKRZFQTOO-JTQLQIEISA-N 1 2 335.205 2.224 20 30 EEEDLO COCC[NH+](CCOC)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000265557393 464600728 /nfs/dbraw/zinc/60/07/28/464600728.db2.gz IJDIWMQEPCOQIU-UHFFFAOYSA-N 1 2 343.427 2.332 20 30 EEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000285620159 464632446 /nfs/dbraw/zinc/63/24/46/464632446.db2.gz CMRQCXGTFOYCNR-YJBOKZPZSA-N 1 2 341.455 2.423 20 30 EEEDLO C=C(C)COc1cc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)ccc1OC ZINC000281920049 464636302 /nfs/dbraw/zinc/63/63/02/464636302.db2.gz ADUPDMJUODGMFW-HNNXBMFYSA-N 1 2 339.457 2.269 20 30 EEEDLO C=C(C)COc1cc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)ccc1OC ZINC000281920049 464636311 /nfs/dbraw/zinc/63/63/11/464636311.db2.gz ADUPDMJUODGMFW-HNNXBMFYSA-N 1 2 339.457 2.269 20 30 EEEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CSCC#N)[C@H](C)C1 ZINC000282011143 464668731 /nfs/dbraw/zinc/66/87/31/464668731.db2.gz YKTBMBGKZVHWSF-OAHLLOKOSA-N 1 2 347.484 2.375 20 30 EEEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CSCC#N)[C@H](C)C1 ZINC000282011143 464668736 /nfs/dbraw/zinc/66/87/36/464668736.db2.gz YKTBMBGKZVHWSF-OAHLLOKOSA-N 1 2 347.484 2.375 20 30 EEEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCCCC#N)CC2)c1 ZINC000273193514 464707988 /nfs/dbraw/zinc/70/79/88/464707988.db2.gz HSEVYGXSQNEWEL-OAHLLOKOSA-N 1 2 330.432 2.387 20 30 EEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCC(=O)N[C@@H](C)c1cccs1 ZINC000266170835 464768142 /nfs/dbraw/zinc/76/81/42/464768142.db2.gz CINBCKWEXTVEFS-NWDGAFQWSA-N 1 2 327.450 2.275 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000275764936 464788089 /nfs/dbraw/zinc/78/80/89/464788089.db2.gz VIGPGWWTTNQIFW-SFHVURJKSA-N 1 2 335.448 2.164 20 30 EEEDLO C=CCn1c(C2CC2)nnc1N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000282366827 464790970 /nfs/dbraw/zinc/79/09/70/464790970.db2.gz UDNLXWWBJAEBJV-UHFFFAOYSA-N 1 2 346.504 2.345 20 30 EEEDLO CO[C@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])C(C)C ZINC000266714646 464796818 /nfs/dbraw/zinc/79/68/18/464796818.db2.gz KGAXQPCFAUSDHV-MRXNPFEDSA-N 1 2 342.443 2.317 20 30 EEEDLO CCN1CCC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)CC1=O ZINC000191544011 464819235 /nfs/dbraw/zinc/81/92/35/464819235.db2.gz XZSAVBQMRAXCIL-UHFFFAOYSA-N 1 2 345.443 2.432 20 30 EEEDLO CCN1CCC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)CC1=O ZINC000191544011 464819241 /nfs/dbraw/zinc/81/92/41/464819241.db2.gz XZSAVBQMRAXCIL-UHFFFAOYSA-N 1 2 345.443 2.432 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000191632838 464823503 /nfs/dbraw/zinc/82/35/03/464823503.db2.gz XYXJPOPGUDCMAC-HOTGVXAUSA-N 1 2 346.450 2.344 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000191632838 464823506 /nfs/dbraw/zinc/82/35/06/464823506.db2.gz XYXJPOPGUDCMAC-HOTGVXAUSA-N 1 2 346.450 2.344 20 30 EEEDLO C[C@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)CCCC#N)CC1 ZINC000183840922 464916327 /nfs/dbraw/zinc/91/63/27/464916327.db2.gz SIXNXHDTWVIWOI-CYBMUJFWSA-N 1 2 327.475 2.060 20 30 EEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000249802151 464917553 /nfs/dbraw/zinc/91/75/53/464917553.db2.gz AIISDGXSHCBHQK-ZIAGYGMSSA-N 1 2 333.432 2.190 20 30 EEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000249802151 464917556 /nfs/dbraw/zinc/91/75/56/464917556.db2.gz AIISDGXSHCBHQK-ZIAGYGMSSA-N 1 2 333.432 2.190 20 30 EEEDLO C[N@H+](CCN1CCOCC1)Cc1ccc(Br)cc1C#N ZINC000286737970 465018596 /nfs/dbraw/zinc/01/85/96/465018596.db2.gz FLHHKIOEWXLYHN-UHFFFAOYSA-N 1 2 338.249 2.085 20 30 EEEDLO C[N@@H+](CCN1CCOCC1)Cc1ccc(Br)cc1C#N ZINC000286737970 465018598 /nfs/dbraw/zinc/01/85/98/465018598.db2.gz FLHHKIOEWXLYHN-UHFFFAOYSA-N 1 2 338.249 2.085 20 30 EEEDLO CN(CC[NH+]1CCOCC1)Cc1ccc(Br)cc1C#N ZINC000286737970 465018601 /nfs/dbraw/zinc/01/86/01/465018601.db2.gz FLHHKIOEWXLYHN-UHFFFAOYSA-N 1 2 338.249 2.085 20 30 EEEDLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)[C@@H]1C[C@@]12CCOC2 ZINC000329619467 465389027 /nfs/dbraw/zinc/38/90/27/465389027.db2.gz GMJASASLZNAHCL-WSTZPKSXSA-N 1 2 344.455 2.313 20 30 EEEDLO C[C@H](O)[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329757452 465424703 /nfs/dbraw/zinc/42/47/03/465424703.db2.gz MYIOYXZSMCXSNT-BFHYXJOUSA-N 1 2 334.464 2.112 20 30 EEEDLO O=C(NCCOC1CCCCC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329796830 465436887 /nfs/dbraw/zinc/43/68/87/465436887.db2.gz HDEOKABKCMZQMQ-INIZCTEOSA-N 1 2 339.480 2.046 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000348134735 465443825 /nfs/dbraw/zinc/44/38/25/465443825.db2.gz CFAAFVSZAXPKDE-SFHVURJKSA-N 1 2 341.455 2.314 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+](CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000348134735 465443832 /nfs/dbraw/zinc/44/38/32/465443832.db2.gz CFAAFVSZAXPKDE-SFHVURJKSA-N 1 2 341.455 2.314 20 30 EEEDLO CCc1cccc2c1OCC[C@@H]2NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329910233 465471340 /nfs/dbraw/zinc/47/13/40/465471340.db2.gz NBVVQHZWAHOIMY-ULQDDVLXSA-N 1 2 345.443 2.001 20 30 EEEDLO CCc1cccc2c1OCC[C@@H]2NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329910233 465471343 /nfs/dbraw/zinc/47/13/43/465471343.db2.gz NBVVQHZWAHOIMY-ULQDDVLXSA-N 1 2 345.443 2.001 20 30 EEEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000343184175 465487792 /nfs/dbraw/zinc/48/77/92/465487792.db2.gz QVUNSFGHZOCETP-ZDUSSCGKSA-N 1 2 339.399 2.392 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000352235896 465508361 /nfs/dbraw/zinc/50/83/61/465508361.db2.gz AAYNGYIFSCQKHE-HNNXBMFYSA-N 1 2 349.500 2.253 20 30 EEEDLO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352484747 465532992 /nfs/dbraw/zinc/53/29/92/465532992.db2.gz SUNHECMRMWKBKR-INIZCTEOSA-N 1 2 344.434 2.051 20 30 EEEDLO Cc1c(C#N)cccc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000337739327 465550987 /nfs/dbraw/zinc/55/09/87/465550987.db2.gz CBEAZSLUKULKJE-IBGZPJMESA-N 1 2 349.434 2.498 20 30 EEEDLO Cc1c(C#N)cccc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000337739327 465550990 /nfs/dbraw/zinc/55/09/90/465550990.db2.gz CBEAZSLUKULKJE-IBGZPJMESA-N 1 2 349.434 2.498 20 30 EEEDLO COc1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cc1OCCCC#N ZINC000352895794 465564931 /nfs/dbraw/zinc/56/49/31/465564931.db2.gz YDXXOICGKVIEEY-MRXNPFEDSA-N 1 2 343.427 2.184 20 30 EEEDLO COc1ccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cc1OCCCC#N ZINC000352895794 465564934 /nfs/dbraw/zinc/56/49/34/465564934.db2.gz YDXXOICGKVIEEY-MRXNPFEDSA-N 1 2 343.427 2.184 20 30 EEEDLO O=C(C[N@H+]1CCC[C@H](Oc2ncccc2F)C1)NC(=O)NC1CC1 ZINC000330200170 465565187 /nfs/dbraw/zinc/56/51/87/465565187.db2.gz WKHGDAABGXIYFV-LBPRGKRZSA-N 1 2 336.367 2.097 20 30 EEEDLO O=C(C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1)NC(=O)NC1CC1 ZINC000330200170 465565190 /nfs/dbraw/zinc/56/51/90/465565190.db2.gz WKHGDAABGXIYFV-LBPRGKRZSA-N 1 2 336.367 2.097 20 30 EEEDLO CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000330319713 465610304 /nfs/dbraw/zinc/61/03/04/465610304.db2.gz DKQIUUPHALEYRP-GRDNDAEWSA-N 1 2 343.431 2.396 20 30 EEEDLO Cc1nc(CNC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)sc1C ZINC000330331084 465614869 /nfs/dbraw/zinc/61/48/69/465614869.db2.gz NVPOPGKNEQSJBY-TZMCWYRMSA-N 1 2 349.460 2.417 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ncnn3-c3ccccc3)C2)nc1 ZINC000366358607 465677037 /nfs/dbraw/zinc/67/70/37/465677037.db2.gz LOFPCPWMADVUSE-KRWDZBQOSA-N 1 2 346.394 2.187 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ncnn3-c3ccccc3)C2)nc1 ZINC000366358607 465677040 /nfs/dbraw/zinc/67/70/40/465677040.db2.gz LOFPCPWMADVUSE-KRWDZBQOSA-N 1 2 346.394 2.187 20 30 EEEDLO N#CC[C@H](CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000366378654 465692172 /nfs/dbraw/zinc/69/21/72/465692172.db2.gz RWTIDSKJJZPSBS-RTBURBONSA-N 1 2 341.455 2.397 20 30 EEEDLO CCN1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000548674895 468449404 /nfs/dbraw/zinc/44/94/04/468449404.db2.gz OVHSEJHVOTXARB-QGZVFWFLSA-N 1 2 349.438 2.484 20 30 EEEDLO C=C(C)CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000361122734 465779549 /nfs/dbraw/zinc/77/95/49/465779549.db2.gz ZBYWLNXLXNAMDG-HZPDHXFCSA-N 1 2 349.862 2.236 20 30 EEEDLO C=C(C)CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000361122734 465779559 /nfs/dbraw/zinc/77/95/59/465779559.db2.gz ZBYWLNXLXNAMDG-HZPDHXFCSA-N 1 2 349.862 2.236 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000299549979 465794892 /nfs/dbraw/zinc/79/48/92/465794892.db2.gz SGGYABKCGORLNK-MSOLQXFVSA-N 1 2 345.418 2.004 20 30 EEEDLO N#CC[C@@H](CC(=O)NCC1([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000357153793 465815585 /nfs/dbraw/zinc/81/55/85/465815585.db2.gz VRBUUYPQBZKVCQ-KRWDZBQOSA-N 1 2 327.428 2.055 20 30 EEEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000357158435 465819364 /nfs/dbraw/zinc/81/93/64/465819364.db2.gz HEOGILOUMXULBA-FUHWJXTLSA-N 1 2 329.444 2.253 20 30 EEEDLO N#CC1(F)CCN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000348827805 465823041 /nfs/dbraw/zinc/82/30/41/465823041.db2.gz PBNNKUUCUHLBEV-UHFFFAOYSA-N 1 2 346.406 2.378 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cccc(C#N)c2C)CC1 ZINC000338149873 465852584 /nfs/dbraw/zinc/85/25/84/465852584.db2.gz KGWRMCKNIHAKAD-UHFFFAOYSA-N 1 2 338.411 2.430 20 30 EEEDLO N#Cc1ccccc1CSCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000366662151 465862928 /nfs/dbraw/zinc/86/29/28/465862928.db2.gz JMWPAUGNKRFEMK-CQSZACIVSA-N 1 2 340.452 2.367 20 30 EEEDLO N#Cc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1F ZINC000353550933 465972691 /nfs/dbraw/zinc/97/26/91/465972691.db2.gz SUGMKWGFIZOZEW-AWEZNQCLSA-N 1 2 325.347 2.493 20 30 EEEDLO CC(C)c1nc(N2CCc3c(C#N)c(N)sc3C2)nc(N(C)C)[nH+]1 ZINC000301938351 466062865 /nfs/dbraw/zinc/06/28/65/466062865.db2.gz SMLRCNKPSDOCFB-UHFFFAOYSA-N 1 2 343.460 2.139 20 30 EEEDLO C=CCOCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000346323624 466081628 /nfs/dbraw/zinc/08/16/28/466081628.db2.gz LWQDFTOHJFZDRB-DOTOQJQBSA-N 1 2 338.835 2.031 20 30 EEEDLO C=CCOCC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000346323624 466081636 /nfs/dbraw/zinc/08/16/36/466081636.db2.gz LWQDFTOHJFZDRB-DOTOQJQBSA-N 1 2 338.835 2.031 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCCc1ccccc1 ZINC000346542677 466111845 /nfs/dbraw/zinc/11/18/45/466111845.db2.gz ZPWNSNNWPWTOQA-UHFFFAOYSA-N 1 2 329.444 2.084 20 30 EEEDLO Cc1[nH]nc2ncc(C[NH+]3CCN(Cc4ccc(C#N)cc4)CC3)cc12 ZINC000349586767 466153383 /nfs/dbraw/zinc/15/33/83/466153383.db2.gz VNAABKYETHHLLI-UHFFFAOYSA-N 1 2 346.438 2.456 20 30 EEEDLO CCC[N@H+](CC(=O)NC1(C#N)CCC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000347001445 466309357 /nfs/dbraw/zinc/30/93/57/466309357.db2.gz ADMBRPAWHGANPM-HNNXBMFYSA-N 1 2 342.443 2.288 20 30 EEEDLO CCC[N@@H+](CC(=O)NC1(C#N)CCC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000347001445 466309364 /nfs/dbraw/zinc/30/93/64/466309364.db2.gz ADMBRPAWHGANPM-HNNXBMFYSA-N 1 2 342.443 2.288 20 30 EEEDLO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000305246491 466391752 /nfs/dbraw/zinc/39/17/52/466391752.db2.gz GOBIHARDNGZQLN-QGZVFWFLSA-N 1 2 328.391 2.376 20 30 EEEDLO Cc1ccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1Br ZINC000565051973 469266181 /nfs/dbraw/zinc/26/61/81/469266181.db2.gz STDMMIOZLMYWSQ-HNNXBMFYSA-N 1 2 338.249 2.260 20 30 EEEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc2n1c1ccc(C)cc1c(=O)n2C ZINC000581286488 468490049 /nfs/dbraw/zinc/49/00/49/468490049.db2.gz YFLXZSLXMHIZSB-AWEZNQCLSA-N 1 2 337.427 2.430 20 30 EEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc2n1c1ccc(C)cc1c(=O)n2C ZINC000581286488 468490056 /nfs/dbraw/zinc/49/00/56/468490056.db2.gz YFLXZSLXMHIZSB-AWEZNQCLSA-N 1 2 337.427 2.430 20 30 EEEDLO CCCN(CCC)C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000338981208 466544126 /nfs/dbraw/zinc/54/41/26/466544126.db2.gz FSQUWOUOYHSUJH-UHFFFAOYSA-N 1 2 342.487 2.324 20 30 EEEDLO CCCN(CCC)C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000338981208 466544130 /nfs/dbraw/zinc/54/41/30/466544130.db2.gz FSQUWOUOYHSUJH-UHFFFAOYSA-N 1 2 342.487 2.324 20 30 EEEDLO CCOC(=O)[C@H](CC(C)C)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000374617099 466693245 /nfs/dbraw/zinc/69/32/45/466693245.db2.gz AQGFJVRNWXMIGD-KRWDZBQOSA-N 1 2 330.432 2.053 20 30 EEEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000365105554 466731885 /nfs/dbraw/zinc/73/18/85/466731885.db2.gz AEFQWUCYMWRREN-GOSISDBHSA-N 1 2 330.403 2.041 20 30 EEEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000365105554 466731888 /nfs/dbraw/zinc/73/18/88/466731888.db2.gz AEFQWUCYMWRREN-GOSISDBHSA-N 1 2 330.403 2.041 20 30 EEEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000375698455 466865246 /nfs/dbraw/zinc/86/52/46/466865246.db2.gz SNMDPNOHPQIDDZ-UHFFFAOYSA-N 1 2 334.423 2.255 20 30 EEEDLO C#CCCCS(=O)(=O)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000376346560 466907025 /nfs/dbraw/zinc/90/70/25/466907025.db2.gz AVVPJYVEAUZZPL-INIZCTEOSA-N 1 2 329.425 2.230 20 30 EEEDLO C=CCOc1ccc(C[NH2+]Cc2nnc3n2CCOC3)cc1Cl ZINC000376456937 466913711 /nfs/dbraw/zinc/91/37/11/466913711.db2.gz APBAYEFMBABFPX-UHFFFAOYSA-N 1 2 334.807 2.316 20 30 EEEDLO C[C@H](O)[C@@H]1CCN(c2cc(N(C)Cc3cccc(C#N)c3)nc[nH+]2)C1 ZINC000413045125 467160146 /nfs/dbraw/zinc/16/01/46/467160146.db2.gz FASFQDXNUSHTMB-WMLDXEAASA-N 1 2 337.427 2.192 20 30 EEEDLO C[C@H](O)[C@@H]1CCN(c2cc(N(C)Cc3cccc(C#N)c3)[nH+]cn2)C1 ZINC000413045125 467160148 /nfs/dbraw/zinc/16/01/48/467160148.db2.gz FASFQDXNUSHTMB-WMLDXEAASA-N 1 2 337.427 2.192 20 30 EEEDLO C=CCCOCCCCC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000433111529 467293408 /nfs/dbraw/zinc/29/34/08/467293408.db2.gz VBXPPFQMEDTIOA-MRXNPFEDSA-N 1 2 334.464 2.378 20 30 EEEDLO N#C[C@H](CCc1ccccc1)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000433219090 467309220 /nfs/dbraw/zinc/30/92/20/467309220.db2.gz KZQXSZFFPIBIJD-FQEVSTJZSA-N 1 2 348.450 2.498 20 30 EEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000413984807 467356191 /nfs/dbraw/zinc/35/61/91/467356191.db2.gz IVCOFJCFWDXSQZ-WMZOPIPTSA-N 1 2 326.444 2.326 20 30 EEEDLO Cc1ccc(Br)c(OC[C@@H](O)C[N@H+](C)CCC#N)c1F ZINC000414131370 467380981 /nfs/dbraw/zinc/38/09/81/467380981.db2.gz ZLMHKUKIMPYVPD-NSHDSACASA-N 1 2 345.212 2.482 20 30 EEEDLO Cc1ccc(Br)c(OC[C@@H](O)C[N@@H+](C)CCC#N)c1F ZINC000414131370 467380986 /nfs/dbraw/zinc/38/09/86/467380986.db2.gz ZLMHKUKIMPYVPD-NSHDSACASA-N 1 2 345.212 2.482 20 30 EEEDLO CC[C@H](NC(=O)CCc1c(C)nn(CCC#N)c1C)c1[nH]cc[nH+]1 ZINC000442810812 467578035 /nfs/dbraw/zinc/57/80/35/467578035.db2.gz NHDOWCCSNKRNEH-HNNXBMFYSA-N 1 2 328.420 2.337 20 30 EEEDLO Cc1cccc([C@H](CNC(=O)[C@@]2(C#N)C[C@@H]2C)[NH+]2CCOCC2)c1 ZINC000448694622 467599811 /nfs/dbraw/zinc/59/98/11/467599811.db2.gz OIPLFGRZMMDILD-VDZJLULYSA-N 1 2 327.428 2.034 20 30 EEEDLO COc1cc(F)cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000449049839 467615465 /nfs/dbraw/zinc/61/54/65/467615465.db2.gz SIWOPWZCPWATOX-CYBMUJFWSA-N 1 2 341.390 2.207 20 30 EEEDLO COc1cc(F)cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000449049839 467615466 /nfs/dbraw/zinc/61/54/66/467615466.db2.gz SIWOPWZCPWATOX-CYBMUJFWSA-N 1 2 341.390 2.207 20 30 EEEDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000524286476 467638999 /nfs/dbraw/zinc/63/89/99/467638999.db2.gz HUEWDLCQHPYTOH-UHFFFAOYSA-N 1 2 348.446 2.491 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CN3CC4(CCCC4)OC3=O)C2)nc1 ZINC000496641168 467683140 /nfs/dbraw/zinc/68/31/40/467683140.db2.gz OEDQVDJSFYAFJL-HNNXBMFYSA-N 1 2 342.399 2.129 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CN3CC4(CCCC4)OC3=O)C2)nc1 ZINC000496641168 467683145 /nfs/dbraw/zinc/68/31/45/467683145.db2.gz OEDQVDJSFYAFJL-HNNXBMFYSA-N 1 2 342.399 2.129 20 30 EEEDLO C#CC[C@@H]([NH2+][C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)OC ZINC000496707748 467697136 /nfs/dbraw/zinc/69/71/36/467697136.db2.gz IJRUMTRAZRZJKG-RRFJBIMHSA-N 1 2 338.448 2.319 20 30 EEEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000492674975 467710131 /nfs/dbraw/zinc/71/01/31/467710131.db2.gz KNKPUKIXVCODDC-YOBDTOFLSA-N 1 2 328.416 2.370 20 30 EEEDLO N#Cc1cccnc1OC1CCC(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492773356 467747062 /nfs/dbraw/zinc/74/70/62/467747062.db2.gz VEXGLHPBKDXJDV-VMPITWQZSA-N 1 2 337.383 2.196 20 30 EEEDLO C[C@H]1C[C@@]1(C#N)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000450045557 467767643 /nfs/dbraw/zinc/76/76/43/467767643.db2.gz QPQMFRJHCNKQCK-CFAJVAMVSA-N 1 2 333.457 2.176 20 30 EEEDLO C[C@H]1C[C@@]1(C#N)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000450045557 467767645 /nfs/dbraw/zinc/76/76/45/467767645.db2.gz QPQMFRJHCNKQCK-CFAJVAMVSA-N 1 2 333.457 2.176 20 30 EEEDLO CC(C)(CC#N)CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000457452691 467826838 /nfs/dbraw/zinc/82/68/38/467826838.db2.gz KQFKFTJSCRQKLG-KRWDZBQOSA-N 1 2 344.459 2.126 20 30 EEEDLO CC(C)(CC#N)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000457452691 467826842 /nfs/dbraw/zinc/82/68/42/467826842.db2.gz KQFKFTJSCRQKLG-KRWDZBQOSA-N 1 2 344.459 2.126 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000497107470 467838481 /nfs/dbraw/zinc/83/84/81/467838481.db2.gz MXRBOXWBBKKMBE-HZPDHXFCSA-N 1 2 349.475 2.128 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000497107470 467838483 /nfs/dbraw/zinc/83/84/83/467838483.db2.gz MXRBOXWBBKKMBE-HZPDHXFCSA-N 1 2 349.475 2.128 20 30 EEEDLO COc1cc(OC)cc(N2CC[C@H]([N@H+](C)CC3(C#N)CCC3)C2=O)c1 ZINC000450578914 467873019 /nfs/dbraw/zinc/87/30/19/467873019.db2.gz XYVKLXMPAYSHGB-KRWDZBQOSA-N 1 2 343.427 2.435 20 30 EEEDLO COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)CC3(C#N)CCC3)C2=O)c1 ZINC000450578914 467873022 /nfs/dbraw/zinc/87/30/22/467873022.db2.gz XYVKLXMPAYSHGB-KRWDZBQOSA-N 1 2 343.427 2.435 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000497221052 467891373 /nfs/dbraw/zinc/89/13/73/467891373.db2.gz SYWMGWSQSIAPPW-CQSZACIVSA-N 1 2 339.480 2.256 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000497221052 467891376 /nfs/dbraw/zinc/89/13/76/467891376.db2.gz SYWMGWSQSIAPPW-CQSZACIVSA-N 1 2 339.480 2.256 20 30 EEEDLO CCCCOc1cc(OC)ccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000515304128 467984170 /nfs/dbraw/zinc/98/41/70/467984170.db2.gz QHRNNOQHDOADHQ-GOSISDBHSA-N 1 2 333.432 2.448 20 30 EEEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494086670 468025722 /nfs/dbraw/zinc/02/57/22/468025722.db2.gz QDIBUADKBRTMDY-CQSZACIVSA-N 1 2 335.791 2.269 20 30 EEEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494086670 468025724 /nfs/dbraw/zinc/02/57/24/468025724.db2.gz QDIBUADKBRTMDY-CQSZACIVSA-N 1 2 335.791 2.269 20 30 EEEDLO C=C[C@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000494219209 468038110 /nfs/dbraw/zinc/03/81/10/468038110.db2.gz IDWYMEIUXUELOY-INIZCTEOSA-N 1 2 330.432 2.168 20 30 EEEDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000532098065 468096845 /nfs/dbraw/zinc/09/68/45/468096845.db2.gz FATMFSHJQUPFLX-CQSZACIVSA-N 1 2 328.391 2.401 20 30 EEEDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000532098065 468096848 /nfs/dbraw/zinc/09/68/48/468096848.db2.gz FATMFSHJQUPFLX-CQSZACIVSA-N 1 2 328.391 2.401 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ncc(C#N)cn3)CC[C@H]21 ZINC000495891746 468106789 /nfs/dbraw/zinc/10/67/89/468106789.db2.gz KWHJJLPAGUUKRN-HUUCEWRRSA-N 1 2 343.431 2.180 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ncc(C#N)cn3)CC[C@H]21 ZINC000495891746 468106791 /nfs/dbraw/zinc/10/67/91/468106791.db2.gz KWHJJLPAGUUKRN-HUUCEWRRSA-N 1 2 343.431 2.180 20 30 EEEDLO COc1ccc(Br)cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000565658550 468135531 /nfs/dbraw/zinc/13/55/31/468135531.db2.gz AAOQJZYRCOYCNJ-CQSZACIVSA-N 1 2 340.221 2.031 20 30 EEEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000548788325 468136919 /nfs/dbraw/zinc/13/69/19/468136919.db2.gz IHRCOUFTSCJQNH-WMZOPIPTSA-N 1 2 340.427 2.129 20 30 EEEDLO COc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1-c1ccccn1 ZINC000566740038 468157857 /nfs/dbraw/zinc/15/78/57/468157857.db2.gz FHBBLHQCMIPQRN-LJQANCHMSA-N 1 2 338.411 2.331 20 30 EEEDLO COC(=O)CCC1CC[NH+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000533022993 468162354 /nfs/dbraw/zinc/16/23/54/468162354.db2.gz FXIILXVMGPFIJA-SFHVURJKSA-N 1 2 344.411 2.438 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000589827872 468186338 /nfs/dbraw/zinc/18/63/38/468186338.db2.gz VJXZXFUXMCOPHC-HNNXBMFYSA-N 1 2 332.385 2.383 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C\c3ccncc3)CC2)cc1 ZINC000490665400 468231161 /nfs/dbraw/zinc/23/11/61/468231161.db2.gz CBBKGGMXGIBMAV-WAYWQWQTSA-N 1 2 332.407 2.311 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000592150083 468639403 /nfs/dbraw/zinc/63/94/03/468639403.db2.gz ATAPZYSMAXBPMR-CYBMUJFWSA-N 1 2 329.278 2.464 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000592150083 468639408 /nfs/dbraw/zinc/63/94/08/468639408.db2.gz ATAPZYSMAXBPMR-CYBMUJFWSA-N 1 2 329.278 2.464 20 30 EEEDLO C[C@@]1(c2ccccc2)C[N@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000592501260 468713077 /nfs/dbraw/zinc/71/30/77/468713077.db2.gz OIEKKOGHADAKLX-IBGZPJMESA-N 1 2 333.395 2.349 20 30 EEEDLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000592501260 468713082 /nfs/dbraw/zinc/71/30/82/468713082.db2.gz OIEKKOGHADAKLX-IBGZPJMESA-N 1 2 333.395 2.349 20 30 EEEDLO C[C@@H]1C[N@H+](CCNC(=O)CSCc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000598000974 468736681 /nfs/dbraw/zinc/73/66/81/468736681.db2.gz WONQRVXOKURUCO-LSDHHAIUSA-N 1 2 347.484 2.017 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNC(=O)CSCc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000598000974 468736686 /nfs/dbraw/zinc/73/66/86/468736686.db2.gz WONQRVXOKURUCO-LSDHHAIUSA-N 1 2 347.484 2.017 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)nc1 ZINC000595294660 468803158 /nfs/dbraw/zinc/80/31/58/468803158.db2.gz AWVAUECRVKGPNW-UHFFFAOYSA-N 1 2 341.346 2.323 20 30 EEEDLO N#CC[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000595620296 468925921 /nfs/dbraw/zinc/92/59/21/468925921.db2.gz LOVIGYMFDMJLIM-CJNGLKHVSA-N 1 2 328.372 2.326 20 30 EEEDLO N#CC[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000595620296 468925923 /nfs/dbraw/zinc/92/59/23/468925923.db2.gz LOVIGYMFDMJLIM-CJNGLKHVSA-N 1 2 328.372 2.326 20 30 EEEDLO COc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc1C(F)(F)F ZINC000598837340 469019984 /nfs/dbraw/zinc/01/99/84/469019984.db2.gz VJJQSIMAMURFHB-CQSZACIVSA-N 1 2 329.322 2.288 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)CCCCC1 ZINC000595821197 469027815 /nfs/dbraw/zinc/02/78/15/469027815.db2.gz BEFJAWWEDRZMQB-UHFFFAOYSA-N 1 2 331.460 2.220 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CCOC(C3CC3)(C3CC3)C2)CCCCC1 ZINC000595821197 469027818 /nfs/dbraw/zinc/02/78/18/469027818.db2.gz BEFJAWWEDRZMQB-UHFFFAOYSA-N 1 2 331.460 2.220 20 30 EEEDLO N#CCCN1CCN(Cc2c[nH+]c3ccc(Br)cn23)CC1 ZINC000602749262 469051188 /nfs/dbraw/zinc/05/11/88/469051188.db2.gz ZNRMQEBTYHMGGR-UHFFFAOYSA-N 1 2 348.248 2.128 20 30 EEEDLO CCO[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000598976380 469073743 /nfs/dbraw/zinc/07/37/43/469073743.db2.gz CXUUKVWKAZJZAK-SFHVURJKSA-N 1 2 327.428 2.018 20 30 EEEDLO Cc1cccc(S(=O)(=O)NCC[NH+]2Cc3ccccc3C2)c1C#N ZINC000611016223 469140448 /nfs/dbraw/zinc/14/04/48/469140448.db2.gz AKBDHJDQZXNCGC-UHFFFAOYSA-N 1 2 341.436 2.161 20 30 EEEDLO COC(=O)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)C1CCCCC1 ZINC000599370790 469232699 /nfs/dbraw/zinc/23/26/99/469232699.db2.gz KTRAGGAAPYDRBZ-AEFFLSMTSA-N 1 2 346.427 2.009 20 30 EEEDLO CC[C@H](CC#N)[NH2+]CC(=O)N(C)CC(=O)Nc1ccccc1SC ZINC000563365405 469237183 /nfs/dbraw/zinc/23/71/83/469237183.db2.gz CNWVMPDBRMTMOB-CYBMUJFWSA-N 1 2 348.472 2.087 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1nc2c(s1)CCC2 ZINC000611417320 469245198 /nfs/dbraw/zinc/24/51/98/469245198.db2.gz RTIIADQAASOKSR-LBPRGKRZSA-N 1 2 340.456 2.004 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1nc2c(s1)CCC2 ZINC000611417320 469245202 /nfs/dbraw/zinc/24/52/02/469245202.db2.gz RTIIADQAASOKSR-LBPRGKRZSA-N 1 2 340.456 2.004 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1N(C[C@H](O)COc2ccccc2C#N)CC1(C)C ZINC000599433634 469254250 /nfs/dbraw/zinc/25/42/50/469254250.db2.gz JPJKVWYXFURUBC-RDJZCZTQSA-N 1 2 340.427 2.115 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc(Cc2ccccc2)s1 ZINC000574694837 469278926 /nfs/dbraw/zinc/27/89/26/469278926.db2.gz RQDHCICCCYPNLZ-QGZVFWFLSA-N 1 2 328.441 2.308 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)n1cc(Cn2cc[nH+]c2)nn1 ZINC000603171604 469296480 /nfs/dbraw/zinc/29/64/80/469296480.db2.gz BLBVFQRIMMEEMW-HNNXBMFYSA-N 1 2 349.398 2.031 20 30 EEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1c(C#N)cnn1-c1ccccc1 ZINC000603373793 469366138 /nfs/dbraw/zinc/36/61/38/469366138.db2.gz GEVVFSXGUVLWNG-CRAIPNDOSA-N 1 2 337.427 2.043 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798041 469391588 /nfs/dbraw/zinc/39/15/88/469391588.db2.gz BKBGJWLPCPTKFW-KUHUBIRLSA-N 1 2 328.412 2.177 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798041 469391598 /nfs/dbraw/zinc/39/15/98/469391598.db2.gz BKBGJWLPCPTKFW-KUHUBIRLSA-N 1 2 328.412 2.177 20 30 EEEDLO N#CCc1cccc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000619490161 469624074 /nfs/dbraw/zinc/62/40/74/469624074.db2.gz APEZHMMUZJEQLB-HNNXBMFYSA-N 1 2 330.413 2.392 20 30 EEEDLO CN1CC[NH+]([C@@H](CNC(=O)NCCCCC#N)c2cccs2)CC1 ZINC000609147964 469896879 /nfs/dbraw/zinc/89/68/79/469896879.db2.gz TZMUSHZDQDYHND-HNNXBMFYSA-N 1 2 349.504 2.030 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000609484633 469931635 /nfs/dbraw/zinc/93/16/35/469931635.db2.gz DIBGMUQGKOMMLB-XDNAFOTISA-N 1 2 334.508 2.045 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@H](CC)CS(=O)(=O)c2ccccc2)nn1 ZINC000657415134 471130478 /nfs/dbraw/zinc/13/04/78/471130478.db2.gz HRPIBEWTIWCTRS-OAHLLOKOSA-N 1 2 348.472 2.196 20 30 EEEDLO C=CCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H](C)COC ZINC000663557257 471425256 /nfs/dbraw/zinc/42/52/56/471425256.db2.gz PUFBFMBXKJTVME-OAHLLOKOSA-N 1 2 332.448 2.414 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000653941359 471783348 /nfs/dbraw/zinc/78/33/48/471783348.db2.gz IPJKLCWXRRGFII-MSOLQXFVSA-N 1 2 325.412 2.324 20 30 EEEDLO C=CCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000661572564 471806758 /nfs/dbraw/zinc/80/67/58/471806758.db2.gz RWZBKHPBUIIARS-MRXNPFEDSA-N 1 2 344.415 2.402 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C\c1cccc(Cl)c1 ZINC000211905395 485529790 /nfs/dbraw/zinc/52/97/90/485529790.db2.gz JLUJNKUFSCCCKH-WAYWQWQTSA-N 1 2 347.846 2.428 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)C1=O ZINC000685001475 486061415 /nfs/dbraw/zinc/06/14/15/486061415.db2.gz JDSIOEVBQTZNHD-AEJSXWLSSA-N 1 2 330.272 2.446 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)C1=O ZINC000685001475 486061427 /nfs/dbraw/zinc/06/14/27/486061427.db2.gz JDSIOEVBQTZNHD-AEJSXWLSSA-N 1 2 330.272 2.446 20 30 EEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191128712 526301248 /nfs/dbraw/zinc/30/12/48/526301248.db2.gz YVWDEEOBASJVIW-UHFFFAOYSA-N 1 2 327.768 2.321 20 30 EEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191128712 526301252 /nfs/dbraw/zinc/30/12/52/526301252.db2.gz YVWDEEOBASJVIW-UHFFFAOYSA-N 1 2 327.768 2.321 20 30 EEEDLO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000170647008 536162168 /nfs/dbraw/zinc/16/21/68/536162168.db2.gz LJULYTPKJQWXTJ-KBPBESRZSA-N 1 2 332.423 2.123 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)nc1 ZINC000728865985 576551619 /nfs/dbraw/zinc/55/16/19/576551619.db2.gz VGPYMUMDYVRAFM-UHFFFAOYSA-N 1 2 335.407 2.030 20 30 EEEDLO N#Cc1ccc(NCCNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)nc1 ZINC000730114541 576718588 /nfs/dbraw/zinc/71/85/88/576718588.db2.gz AAHNKXQFMGCTFT-CQSZACIVSA-N 1 2 339.403 2.025 20 30 EEEDLO C#C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CCCO1 ZINC000773201318 577322571 /nfs/dbraw/zinc/32/25/71/577322571.db2.gz VLKJUNAVHVOHTA-IAGOWNOFSA-N 1 2 342.443 2.052 20 30 EEEDLO C#CCCCCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000773206009 577322996 /nfs/dbraw/zinc/32/29/96/577322996.db2.gz BYVUNTSLLCDKEQ-UHFFFAOYSA-N 1 2 342.439 2.296 20 30 EEEDLO C#C[C@@H]([NH2+]Cc1nc(-c2ccc(C)c(OC)c2)no1)[C@@H]1CCCO1 ZINC000775788708 577445656 /nfs/dbraw/zinc/44/56/56/577445656.db2.gz IZNLGHMAYCXDNY-CABCVRRESA-N 1 2 327.384 2.324 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCCSCc1ccnc(Cl)c1 ZINC000777448575 577479109 /nfs/dbraw/zinc/47/91/09/577479109.db2.gz VEAAUXSHSWUKID-AWEZNQCLSA-N 1 2 337.876 2.182 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCSCc1ccnc(Cl)c1 ZINC000777448575 577479110 /nfs/dbraw/zinc/47/91/10/577479110.db2.gz VEAAUXSHSWUKID-AWEZNQCLSA-N 1 2 337.876 2.182 20 30 EEEDLO C=C(Br)CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000767782040 577544832 /nfs/dbraw/zinc/54/48/32/577544832.db2.gz QBUJQKGTZQVHAQ-NSHDSACASA-N 1 2 327.226 2.218 20 30 EEEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000769921151 577587167 /nfs/dbraw/zinc/58/71/67/577587167.db2.gz NEIPAKJCJJEXBU-AWEZNQCLSA-N 1 2 346.862 2.345 20 30 EEEDLO COc1ccc(OC2CC[NH+](Cn3cccc(C#N)c3=O)CC2)cc1 ZINC000758191151 577618031 /nfs/dbraw/zinc/61/80/31/577618031.db2.gz NBKTWPYDDYDQCE-UHFFFAOYSA-N 1 2 339.395 2.229 20 30 EEEDLO Cc1ccn(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c(=O)c1C#N ZINC000758249008 577620138 /nfs/dbraw/zinc/62/01/38/577620138.db2.gz NNWGVAIMZUFVFY-INIZCTEOSA-N 1 2 327.359 2.278 20 30 EEEDLO Cc1ccn(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c(=O)c1C#N ZINC000758249008 577620139 /nfs/dbraw/zinc/62/01/39/577620139.db2.gz NNWGVAIMZUFVFY-INIZCTEOSA-N 1 2 327.359 2.278 20 30 EEEDLO C#C[C@H](NC(=O)N(C)CCCc1[nH+]ccn1CCC)[C@H]1CCCO1 ZINC000759150398 577637983 /nfs/dbraw/zinc/63/79/83/577637983.db2.gz UBHBDHMSQPSXKO-JKSUJKDBSA-N 1 2 332.448 2.048 20 30 EEEDLO C=CC[N@@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000759849432 577651935 /nfs/dbraw/zinc/65/19/35/577651935.db2.gz FKTFAOIANGYEMO-IUODEOHRSA-N 1 2 347.839 2.188 20 30 EEEDLO C=CC[N@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000759849432 577651936 /nfs/dbraw/zinc/65/19/36/577651936.db2.gz FKTFAOIANGYEMO-IUODEOHRSA-N 1 2 347.839 2.188 20 30 EEEDLO C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763226508 577717262 /nfs/dbraw/zinc/71/72/62/577717262.db2.gz MZETYGXCBYCRQW-KRWDZBQOSA-N 1 2 334.379 2.372 20 30 EEEDLO C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763226508 577717263 /nfs/dbraw/zinc/71/72/63/577717263.db2.gz MZETYGXCBYCRQW-KRWDZBQOSA-N 1 2 334.379 2.372 20 30 EEEDLO CCO[C@H](C)c1noc(C[N@H+](C)C[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000763409403 577720749 /nfs/dbraw/zinc/72/07/49/577720749.db2.gz DZMAYJPKAYFTSF-IUODEOHRSA-N 1 2 330.388 2.204 20 30 EEEDLO CCO[C@H](C)c1noc(C[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000763409403 577720750 /nfs/dbraw/zinc/72/07/50/577720750.db2.gz DZMAYJPKAYFTSF-IUODEOHRSA-N 1 2 330.388 2.204 20 30 EEEDLO CNc1[nH+]c(C)ccc1C(=O)O[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000751648623 577756724 /nfs/dbraw/zinc/75/67/24/577756724.db2.gz ZGUOEZLSCRMAGV-HNNXBMFYSA-N 1 2 339.351 2.375 20 30 EEEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2cccc(F)c2C#N)C1 ZINC000756971481 577854087 /nfs/dbraw/zinc/85/40/87/577854087.db2.gz AYTCCBBAGOOSRT-MRXNPFEDSA-N 1 2 345.399 2.162 20 30 EEEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2cccc(F)c2C#N)C1 ZINC000756971481 577854088 /nfs/dbraw/zinc/85/40/88/577854088.db2.gz AYTCCBBAGOOSRT-MRXNPFEDSA-N 1 2 345.399 2.162 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2cc(C#N)cs2)C1 ZINC000758028477 577868553 /nfs/dbraw/zinc/86/85/53/577868553.db2.gz GBPMBCLKJLSPGQ-GXTWGEPZSA-N 1 2 332.429 2.468 20 30 EEEDLO C#CCCCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000743693427 577889030 /nfs/dbraw/zinc/88/90/30/577889030.db2.gz WDCFWIMHXNYMBJ-SFHVURJKSA-N 1 2 329.444 2.081 20 30 EEEDLO C#CCN(CC)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000745868374 577919879 /nfs/dbraw/zinc/91/98/79/577919879.db2.gz SSUUCXSMJDYVMP-UHFFFAOYSA-N 1 2 328.460 2.386 20 30 EEEDLO C#CCN(CC)C(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000745868374 577919880 /nfs/dbraw/zinc/91/98/80/577919880.db2.gz SSUUCXSMJDYVMP-UHFFFAOYSA-N 1 2 328.460 2.386 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000739818479 578068890 /nfs/dbraw/zinc/06/88/90/578068890.db2.gz LJGRUMLQECSUNY-QAPCUYQASA-N 1 2 345.418 2.453 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000739818479 578068891 /nfs/dbraw/zinc/06/88/91/578068891.db2.gz LJGRUMLQECSUNY-QAPCUYQASA-N 1 2 345.418 2.453 20 30 EEEDLO C=C(Cl)CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000736241159 578189220 /nfs/dbraw/zinc/18/92/20/578189220.db2.gz YEANXIJMXGNRIL-UHFFFAOYSA-N 1 2 332.791 2.394 20 30 EEEDLO C[C@H](NC(=O)c1cocn1)C1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC000969392353 674937640 /nfs/dbraw/zinc/93/76/40/674937640.db2.gz SWAZYWUMNNVLAL-ZDUSSCGKSA-N 1 2 343.814 2.430 20 30 EEEDLO CCc1nc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3C#N)C2)co1 ZINC000969516842 675082375 /nfs/dbraw/zinc/08/23/75/675082375.db2.gz FVDMQIMMDJQODW-ZDUSSCGKSA-N 1 2 338.411 2.359 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C)n(C(F)F)n2)C1 ZINC000969758928 675188556 /nfs/dbraw/zinc/18/85/56/675188556.db2.gz DETYKTOOCDYCAK-SNVBAGLBSA-N 1 2 332.782 2.389 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000970504419 675944076 /nfs/dbraw/zinc/94/40/76/675944076.db2.gz SVPHAVFKVIDLSC-SNVBAGLBSA-N 1 2 334.807 2.071 20 30 EEEDLO C=C1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2nncn2C)CC1 ZINC001021368067 676016260 /nfs/dbraw/zinc/01/62/60/676016260.db2.gz FLSUIJSQDBNVAW-ALOPSCKCSA-N 1 2 343.475 2.173 20 30 EEEDLO C=C1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nncn2C)CC1 ZINC001021368067 676016262 /nfs/dbraw/zinc/01/62/62/676016262.db2.gz FLSUIJSQDBNVAW-ALOPSCKCSA-N 1 2 343.475 2.173 20 30 EEEDLO C=C1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ncnn2C)CC1 ZINC001021368847 676017125 /nfs/dbraw/zinc/01/71/25/676017125.db2.gz YNJZWKXPHKLUTP-ALOPSCKCSA-N 1 2 343.475 2.173 20 30 EEEDLO C=C1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ncnn2C)CC1 ZINC001021368847 676017127 /nfs/dbraw/zinc/01/71/27/676017127.db2.gz YNJZWKXPHKLUTP-ALOPSCKCSA-N 1 2 343.475 2.173 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(C)nc3c2cnn3C)C1 ZINC000970655527 676052067 /nfs/dbraw/zinc/05/20/67/676052067.db2.gz VDYGEGNDNDETIS-LBPRGKRZSA-N 1 2 347.850 2.079 20 30 EEEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCC#C[C@@H]1CCCCO1 ZINC000891112572 676070859 /nfs/dbraw/zinc/07/08/59/676070859.db2.gz LZRNJCJIRDSOKI-STQMWFEESA-N 1 2 329.322 2.065 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@@H](C)c3ncc(C)o3)C2)nc1 ZINC000970762511 676132090 /nfs/dbraw/zinc/13/20/90/676132090.db2.gz FCHKZTGBYPIKQX-KGLIPLIRSA-N 1 2 338.411 2.171 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001021491279 676141445 /nfs/dbraw/zinc/14/14/45/676141445.db2.gz YIDUTGIFPDXSMX-KHYOSLBOSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C(C)(C)C)o3)C2)C1 ZINC000969882539 675279634 /nfs/dbraw/zinc/27/96/34/675279634.db2.gz BGVXXRQHTNZGMK-CYBMUJFWSA-N 1 2 332.448 2.414 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2snnc2C2CC2)C1 ZINC000969890774 675286673 /nfs/dbraw/zinc/28/66/73/675286673.db2.gz LRHZDVNWELXEPT-SECBINFHSA-N 1 2 326.853 2.218 20 30 EEEDLO C[C@H](NC(=O)c1[nH]nc2c1CCC2)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000970035287 675407309 /nfs/dbraw/zinc/40/73/09/675407309.db2.gz MQYYAEXNARHXMM-ZDUSSCGKSA-N 1 2 349.438 2.020 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnc3cc(C)nn3c2C)C1 ZINC000970242629 675747111 /nfs/dbraw/zinc/74/71/11/675747111.db2.gz MWUHTFDROHPNLU-LBPRGKRZSA-N 1 2 347.850 2.149 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(C)n2)C1 ZINC000971097581 676371221 /nfs/dbraw/zinc/37/12/21/676371221.db2.gz DKELCGRKDXAAKP-ZDUSSCGKSA-N 1 2 338.249 2.445 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2cccc(C)n2)C1 ZINC000971097581 676371224 /nfs/dbraw/zinc/37/12/24/676371224.db2.gz DKELCGRKDXAAKP-ZDUSSCGKSA-N 1 2 338.249 2.445 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)nc2ccccc12 ZINC000971221850 676445174 /nfs/dbraw/zinc/44/51/74/676445174.db2.gz RRSYWVVQYAFNOB-UKRRQHHQSA-N 1 2 337.427 2.131 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)nc2ccccc12 ZINC000971221850 676445175 /nfs/dbraw/zinc/44/51/75/676445175.db2.gz RRSYWVVQYAFNOB-UKRRQHHQSA-N 1 2 337.427 2.131 20 30 EEEDLO C[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC000971224662 676447970 /nfs/dbraw/zinc/44/79/70/676447970.db2.gz AGEHLFGOYMVKKB-OAHLLOKOSA-N 1 2 345.418 2.345 20 30 EEEDLO C[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC000971224662 676447972 /nfs/dbraw/zinc/44/79/72/676447972.db2.gz AGEHLFGOYMVKKB-OAHLLOKOSA-N 1 2 345.418 2.345 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)n2cccc2)C1 ZINC000971361742 676500281 /nfs/dbraw/zinc/50/02/81/676500281.db2.gz ROBOXAOPAPPWQN-KBPBESRZSA-N 1 2 340.265 2.490 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)n2cccc2)C1 ZINC000971361742 676500283 /nfs/dbraw/zinc/50/02/83/676500283.db2.gz ROBOXAOPAPPWQN-KBPBESRZSA-N 1 2 340.265 2.490 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c4ccc(F)cc43)C2)C1 ZINC000972702236 679682647 /nfs/dbraw/zinc/68/26/47/679682647.db2.gz IHNVZHQVOSXXSF-LJQANCHMSA-N 1 2 343.402 2.410 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c4ccc(F)cc43)C2)C1 ZINC000972702236 679682648 /nfs/dbraw/zinc/68/26/48/679682648.db2.gz IHNVZHQVOSXXSF-LJQANCHMSA-N 1 2 343.402 2.410 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@H+](C)Cc2nccs2)C1 ZINC000971687635 676738420 /nfs/dbraw/zinc/73/84/20/676738420.db2.gz NESIZWMQHCAGMO-CQSZACIVSA-N 1 2 330.457 2.477 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2nccs2)C1 ZINC000971687635 676738422 /nfs/dbraw/zinc/73/84/22/676738422.db2.gz NESIZWMQHCAGMO-CQSZACIVSA-N 1 2 330.457 2.477 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4nc(C)oc4c3)C2)C1 ZINC000972419019 678714092 /nfs/dbraw/zinc/71/40/92/678714092.db2.gz AIHOXZLGVBARFW-IBGZPJMESA-N 1 2 341.411 2.239 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4nc(C)oc4c3)C2)C1 ZINC000972419019 678714094 /nfs/dbraw/zinc/71/40/94/678714094.db2.gz AIHOXZLGVBARFW-IBGZPJMESA-N 1 2 341.411 2.239 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)c4ccccc34)C2)C1 ZINC000972454321 678774097 /nfs/dbraw/zinc/77/40/97/678774097.db2.gz UWPDDDDOKSDXCX-FQEVSTJZSA-N 1 2 339.439 2.281 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)c4ccccc34)C2)C1 ZINC000972454321 678774100 /nfs/dbraw/zinc/77/41/00/678774100.db2.gz UWPDDDDOKSDXCX-FQEVSTJZSA-N 1 2 339.439 2.281 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cc(C)ccc3OC)C2)C1 ZINC000972456248 678783130 /nfs/dbraw/zinc/78/31/30/678783130.db2.gz VDNOYCCEDCITIA-FQEVSTJZSA-N 1 2 344.455 2.035 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cc(C)ccc3OC)C2)C1 ZINC000972456248 678783131 /nfs/dbraw/zinc/78/31/31/678783131.db2.gz VDNOYCCEDCITIA-FQEVSTJZSA-N 1 2 344.455 2.035 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccc(C)cc3C)C2)C1 ZINC000972488624 678886012 /nfs/dbraw/zinc/88/60/12/678886012.db2.gz CXQSCAGJOXTNOT-NRFANRHFSA-N 1 2 340.467 2.173 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccc(C)cc3C)C2)C1 ZINC000972488624 678886015 /nfs/dbraw/zinc/88/60/15/678886015.db2.gz CXQSCAGJOXTNOT-NRFANRHFSA-N 1 2 340.467 2.173 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccon2)C1 ZINC001023246003 679202435 /nfs/dbraw/zinc/20/24/35/679202435.db2.gz AJLXROFQIFVZPH-NSHDSACASA-N 1 2 328.210 2.025 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H](CNC(=O)c2ccon2)C1 ZINC001023246003 679202437 /nfs/dbraw/zinc/20/24/37/679202437.db2.gz AJLXROFQIFVZPH-NSHDSACASA-N 1 2 328.210 2.025 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)c3cccc(F)c3)C2)C1 ZINC000972546542 679242638 /nfs/dbraw/zinc/24/26/38/679242638.db2.gz PNIIHMIJKJYSDY-JXFKEZNVSA-N 1 2 344.430 2.256 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)c3cccc(F)c3)C2)C1 ZINC000972546542 679242641 /nfs/dbraw/zinc/24/26/41/679242641.db2.gz PNIIHMIJKJYSDY-JXFKEZNVSA-N 1 2 344.430 2.256 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccccc3C3(C)CC3)C2)C1 ZINC000972550562 679258614 /nfs/dbraw/zinc/25/86/14/679258614.db2.gz YOOOQJPTHIPRPQ-NRFANRHFSA-N 1 2 338.451 2.288 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccccc3C3(C)CC3)C2)C1 ZINC000972550562 679258617 /nfs/dbraw/zinc/25/86/17/679258617.db2.gz YOOOQJPTHIPRPQ-NRFANRHFSA-N 1 2 338.451 2.288 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2c(C)n[nH]c2C)C1 ZINC000972559956 679288128 /nfs/dbraw/zinc/28/81/28/679288128.db2.gz MRJUFLZBDBBYAC-LBPRGKRZSA-N 1 2 341.253 2.081 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2c(C)n[nH]c2C)C1 ZINC000972559956 679288131 /nfs/dbraw/zinc/28/81/31/679288131.db2.gz MRJUFLZBDBBYAC-LBPRGKRZSA-N 1 2 341.253 2.081 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000972573623 679331423 /nfs/dbraw/zinc/33/14/23/679331423.db2.gz RMXCLOWVMBVAOT-IBGZPJMESA-N 1 2 325.412 2.271 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000972573623 679331424 /nfs/dbraw/zinc/33/14/24/679331424.db2.gz RMXCLOWVMBVAOT-IBGZPJMESA-N 1 2 325.412 2.271 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3cccc(C)c3)C2)C1 ZINC000972574049 679334028 /nfs/dbraw/zinc/33/40/28/679334028.db2.gz WWAUGRNZEGZRKK-WIYYLYMNSA-N 1 2 340.467 2.425 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3cccc(C)c3)C2)C1 ZINC000972574049 679334029 /nfs/dbraw/zinc/33/40/29/679334029.db2.gz WWAUGRNZEGZRKK-WIYYLYMNSA-N 1 2 340.467 2.425 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(C(C)C)nc3C)C2)C1 ZINC000972586030 679363216 /nfs/dbraw/zinc/36/32/16/679363216.db2.gz UGVFOEOEDPTKNP-IBGZPJMESA-N 1 2 344.459 2.011 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(C(C)C)nc3C)C2)C1 ZINC000972586030 679363219 /nfs/dbraw/zinc/36/32/19/679363219.db2.gz UGVFOEOEDPTKNP-IBGZPJMESA-N 1 2 344.459 2.011 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2ccco2)C1 ZINC000972593150 679382583 /nfs/dbraw/zinc/38/25/83/679382583.db2.gz QDLVXVXFOYNFPF-LBPRGKRZSA-N 1 2 327.222 2.263 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)Cc2ccco2)C1 ZINC000972593150 679382586 /nfs/dbraw/zinc/38/25/86/679382586.db2.gz QDLVXVXFOYNFPF-LBPRGKRZSA-N 1 2 327.222 2.263 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCOc4ccccc43)C2)C1 ZINC000972597108 679396569 /nfs/dbraw/zinc/39/65/69/679396569.db2.gz SCQKOYJTNULNCN-YLJYHZDGSA-N 1 2 342.439 2.042 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCOc4ccccc43)C2)C1 ZINC000972597108 679396574 /nfs/dbraw/zinc/39/65/74/679396574.db2.gz SCQKOYJTNULNCN-YLJYHZDGSA-N 1 2 342.439 2.042 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4nc(C)ccc4c3)C2)C1 ZINC000972608994 679421744 /nfs/dbraw/zinc/42/17/44/679421744.db2.gz NMKKLWBGQIRSRS-NRFANRHFSA-N 1 2 349.434 2.093 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4nc(C)ccc4c3)C2)C1 ZINC000972608994 679421748 /nfs/dbraw/zinc/42/17/48/679421748.db2.gz NMKKLWBGQIRSRS-NRFANRHFSA-N 1 2 349.434 2.093 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001067489366 679560148 /nfs/dbraw/zinc/56/01/48/679560148.db2.gz LWTYPEUCUBKOSX-UHFFFAOYSA-N 1 2 346.475 2.336 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001067489240 679560424 /nfs/dbraw/zinc/56/04/24/679560424.db2.gz BGTZWYFBXHPZJV-UHFFFAOYSA-N 1 2 332.448 2.028 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc4cnccc43)C2)C1 ZINC000972673043 679577342 /nfs/dbraw/zinc/57/73/42/679577342.db2.gz DMASYFGAXPATHN-HXUWFJFHSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc4cnccc43)C2)C1 ZINC000972673043 679577344 /nfs/dbraw/zinc/57/73/44/679577344.db2.gz DMASYFGAXPATHN-HXUWFJFHSA-N 1 2 337.423 2.338 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C34CCC(CC3)CC4)C2)C1 ZINC000972683656 679598390 /nfs/dbraw/zinc/59/83/90/679598390.db2.gz FCXXVXXFMFGILT-UUKMXZOPSA-N 1 2 330.472 2.283 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C34CCC(CC3)CC4)C2)C1 ZINC000972683656 679598391 /nfs/dbraw/zinc/59/83/91/679598391.db2.gz FCXXVXXFMFGILT-UUKMXZOPSA-N 1 2 330.472 2.283 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3Cc4c3cccc4Cl)C2)C1 ZINC000972691323 679611486 /nfs/dbraw/zinc/61/14/86/679611486.db2.gz AMQFZMJKDJINQT-QFBILLFUSA-N 1 2 346.858 2.469 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3Cc4c3cccc4Cl)C2)C1 ZINC000972691323 679611488 /nfs/dbraw/zinc/61/14/88/679611488.db2.gz AMQFZMJKDJINQT-QFBILLFUSA-N 1 2 346.858 2.469 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3nc(C)oc3C)C2)cn1 ZINC000972755687 679749054 /nfs/dbraw/zinc/74/90/54/679749054.db2.gz GQWBYIBKBQXIRE-QGZVFWFLSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3nc(C)oc3C)C2)cn1 ZINC000972755687 679749056 /nfs/dbraw/zinc/74/90/56/679749056.db2.gz GQWBYIBKBQXIRE-QGZVFWFLSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncc(C)s3)C2)cn1 ZINC000972756396 679749670 /nfs/dbraw/zinc/74/96/70/679749670.db2.gz LUYDKHJOJJPPNS-MRXNPFEDSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncc(C)s3)C2)cn1 ZINC000972756396 679749673 /nfs/dbraw/zinc/74/96/73/679749673.db2.gz LUYDKHJOJJPPNS-MRXNPFEDSA-N 1 2 340.452 2.174 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccon2)c(F)c1 ZINC001024343256 679877921 /nfs/dbraw/zinc/87/79/21/679877921.db2.gz NBRVPEDFMRQWIT-HNNXBMFYSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccon2)c(F)c1 ZINC001024343256 679877922 /nfs/dbraw/zinc/87/79/22/679877922.db2.gz NBRVPEDFMRQWIT-HNNXBMFYSA-N 1 2 342.374 2.470 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCOC1 ZINC001024356703 679881918 /nfs/dbraw/zinc/88/19/18/679881918.db2.gz MMTMMRVSTCQFLW-ZIAGYGMSSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCOC1 ZINC001024356703 679881919 /nfs/dbraw/zinc/88/19/19/679881919.db2.gz MMTMMRVSTCQFLW-ZIAGYGMSSA-N 1 2 345.281 2.292 20 30 EEEDLO Cc1csc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001024398825 679889637 /nfs/dbraw/zinc/88/96/37/679889637.db2.gz WTNVUGLXTKHBLF-AWEZNQCLSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1csc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001024398825 679889638 /nfs/dbraw/zinc/88/96/38/679889638.db2.gz WTNVUGLXTKHBLF-AWEZNQCLSA-N 1 2 343.456 2.436 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(Cl)n(C)n1 ZINC001024543793 680073020 /nfs/dbraw/zinc/07/30/20/680073020.db2.gz MFXRIYQFIWGAOM-LLVKDONJSA-N 1 2 331.247 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(Cl)n(C)n1 ZINC001024543793 680073023 /nfs/dbraw/zinc/07/30/23/680073023.db2.gz MFXRIYQFIWGAOM-LLVKDONJSA-N 1 2 331.247 2.410 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(N(C)C)c1 ZINC001024690472 681351032 /nfs/dbraw/zinc/35/10/32/681351032.db2.gz VZNQTUZKZIGDKX-OAHLLOKOSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(N(C)C)c1 ZINC001024690472 681351034 /nfs/dbraw/zinc/35/10/34/681351034.db2.gz VZNQTUZKZIGDKX-OAHLLOKOSA-N 1 2 336.867 2.484 20 30 EEEDLO 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/nfs/dbraw/zinc/88/26/13/1195882613.db2.gz JLKRXBWGNVVFRD-CQSZACIVSA-N 1 2 343.456 2.436 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001014800656 1224368757 /nfs/dbraw/zinc/36/87/57/1224368757.db2.gz JRMTVZBJLBROFR-HFTRVMKXSA-N 1 2 345.418 2.203 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001014800656 1224368766 /nfs/dbraw/zinc/36/87/66/1224368766.db2.gz JRMTVZBJLBROFR-HFTRVMKXSA-N 1 2 345.418 2.203 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)c(C#N)c1 ZINC001273239295 1197644881 /nfs/dbraw/zinc/64/48/81/1197644881.db2.gz BTMHELCRNUMECT-HZPDHXFCSA-N 1 2 349.381 2.397 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)F)c(C#N)c1 ZINC001273239295 1197644883 /nfs/dbraw/zinc/64/48/83/1197644883.db2.gz BTMHELCRNUMECT-HZPDHXFCSA-N 1 2 349.381 2.397 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccnn2[C@@H]2CCCCO2)C1=O ZINC001273394034 1198479533 /nfs/dbraw/zinc/47/95/33/1198479533.db2.gz FPZNMERELPHTPV-HKUYNNGSSA-N 1 2 344.459 2.335 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2ccnn2[C@@H]2CCCCO2)C1=O ZINC001273394034 1198479535 /nfs/dbraw/zinc/47/95/35/1198479535.db2.gz FPZNMERELPHTPV-HKUYNNGSSA-N 1 2 344.459 2.335 20 30 EEEDLO COc1cncc(C[N@@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)n1 ZINC001132038547 1199223481 /nfs/dbraw/zinc/22/34/81/1199223481.db2.gz SYHGZDVWQJZGFH-CABCVRRESA-N 1 2 344.459 2.004 20 30 EEEDLO COc1cncc(C[N@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)n1 ZINC001132038547 1199223483 /nfs/dbraw/zinc/22/34/83/1199223483.db2.gz SYHGZDVWQJZGFH-CABCVRRESA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)CC[C@@H]1C ZINC001132214347 1199437390 /nfs/dbraw/zinc/43/73/90/1199437390.db2.gz GBHQASJLAPIJEX-KBPBESRZSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)CC[C@@H]1C ZINC001132214347 1199437396 /nfs/dbraw/zinc/43/73/96/1199437396.db2.gz GBHQASJLAPIJEX-KBPBESRZSA-N 1 2 343.899 2.260 20 30 EEEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nc(CCC(C)C)no2)cc1 ZINC001132226962 1199467027 /nfs/dbraw/zinc/46/70/27/1199467027.db2.gz WMMKYVZYSOUNLO-UHFFFAOYSA-N 1 2 340.427 2.159 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2occc2C(C)C)CC[C@H]1C ZINC001132236016 1199481865 /nfs/dbraw/zinc/48/18/65/1199481865.db2.gz WYKGRAJGNGKYRQ-CABCVRRESA-N 1 2 347.459 2.288 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2occc2C(C)C)CC[C@H]1C ZINC001132236016 1199481868 /nfs/dbraw/zinc/48/18/68/1199481868.db2.gz WYKGRAJGNGKYRQ-CABCVRRESA-N 1 2 347.459 2.288 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cnnn2CC)C1 ZINC001132330323 1199577566 /nfs/dbraw/zinc/57/75/66/1199577566.db2.gz FTGCKNTXRFLHKJ-CABCVRRESA-N 1 2 333.480 2.369 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cnnn2CC)C1 ZINC001132330323 1199577570 /nfs/dbraw/zinc/57/75/70/1199577570.db2.gz FTGCKNTXRFLHKJ-CABCVRRESA-N 1 2 333.480 2.369 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCOC2CCOCC2)CC[C@@H]1C ZINC001132417404 1199689951 /nfs/dbraw/zinc/68/99/51/1199689951.db2.gz XBOMJDYBUCMSFF-GJZGRUSLSA-N 1 2 344.883 2.294 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCOC2CCOCC2)CC[C@@H]1C ZINC001132417404 1199689957 /nfs/dbraw/zinc/68/99/57/1199689957.db2.gz XBOMJDYBUCMSFF-GJZGRUSLSA-N 1 2 344.883 2.294 20 30 EEEDLO CC(=[NH+]Nc1cnnn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000814979237 1199817760 /nfs/dbraw/zinc/81/77/60/1199817760.db2.gz DQDMHKJQRFMVCE-UHFFFAOYSA-N 1 2 334.811 2.141 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1noc(-c2ccccc2)n1 ZINC001132577685 1199875156 /nfs/dbraw/zinc/87/51/56/1199875156.db2.gz YVAYUJIOXOJCIW-KGLIPLIRSA-N 1 2 328.416 2.401 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cccc(C#N)n3)[C@@H]2C1 ZINC000877598986 1199977970 /nfs/dbraw/zinc/97/79/70/1199977970.db2.gz NRERWUQYFULLNS-CZUORRHYSA-N 1 2 328.416 2.394 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cccc(C#N)n3)[C@@H]2C1 ZINC000877598986 1199977975 /nfs/dbraw/zinc/97/79/75/1199977975.db2.gz NRERWUQYFULLNS-CZUORRHYSA-N 1 2 328.416 2.394 20 30 EEEDLO Cc1nc(N2C[C@@H](NC(=O)C#CC(C)C)C(C)(C)C2)c(C)c(C)[nH+]1 ZINC001114453525 1200534082 /nfs/dbraw/zinc/53/40/82/1200534082.db2.gz YPGBZUUPNWTERM-MRXNPFEDSA-N 1 2 328.460 2.392 20 30 EEEDLO C=CCC(F)(F)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000870998225 1200998324 /nfs/dbraw/zinc/99/83/24/1200998324.db2.gz VITGEUVFMAEXNG-UHFFFAOYSA-N 1 2 327.400 2.462 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C)CC1 ZINC001011832294 1224651123 /nfs/dbraw/zinc/65/11/23/1224651123.db2.gz DXLRFKDQABJSNW-WMLDXEAASA-N 1 2 344.459 2.194 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C)CC1 ZINC001011832294 1224651128 /nfs/dbraw/zinc/65/11/28/1224651128.db2.gz DXLRFKDQABJSNW-WMLDXEAASA-N 1 2 344.459 2.194 20 30 EEEDLO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879584606 1201158629 /nfs/dbraw/zinc/15/86/29/1201158629.db2.gz DUEPHSKCBNIXMF-HNNXBMFYSA-N 1 2 328.460 2.374 20 30 EEEDLO C=CC[N@H+](CC1CCCCC1)Cn1nc(C(=O)OC)cc1C(=O)OC ZINC000128001012 1201261250 /nfs/dbraw/zinc/26/12/50/1201261250.db2.gz OBXUNUNRCYFVSU-UHFFFAOYSA-N 1 2 349.431 2.482 20 30 EEEDLO C=CC[N@@H+](CC1CCCCC1)Cn1nc(C(=O)OC)cc1C(=O)OC ZINC000128001012 1201261253 /nfs/dbraw/zinc/26/12/53/1201261253.db2.gz OBXUNUNRCYFVSU-UHFFFAOYSA-N 1 2 349.431 2.482 20 30 EEEDLO C=CCC1(O)CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000884091651 1202229896 /nfs/dbraw/zinc/22/98/96/1202229896.db2.gz DZJSBEWKLORSJT-UHFFFAOYSA-N 1 2 340.427 2.485 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)cn1 ZINC000826562742 1204262491 /nfs/dbraw/zinc/26/24/91/1204262491.db2.gz BJTQWMBCZCBJRW-FQEVSTJZSA-N 1 2 349.434 2.002 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)cn1 ZINC000826562742 1204262494 /nfs/dbraw/zinc/26/24/94/1204262494.db2.gz BJTQWMBCZCBJRW-FQEVSTJZSA-N 1 2 349.434 2.002 20 30 EEEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(N)ccnc1F ZINC001274117020 1204382647 /nfs/dbraw/zinc/38/26/47/1204382647.db2.gz FFFRQBJHVIKHMS-SFHVURJKSA-N 1 2 345.422 2.064 20 30 EEEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(N)ccnc1F ZINC001274117020 1204382650 /nfs/dbraw/zinc/38/26/50/1204382650.db2.gz FFFRQBJHVIKHMS-SFHVURJKSA-N 1 2 345.422 2.064 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC1(F)F)C2 ZINC001095390848 1204551274 /nfs/dbraw/zinc/55/12/74/1204551274.db2.gz SUHPPKRPBBBKDP-WCVJEAGWSA-N 1 2 331.366 2.435 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC1(F)F)C2 ZINC001095390848 1204551275 /nfs/dbraw/zinc/55/12/75/1204551275.db2.gz SUHPPKRPBBBKDP-WCVJEAGWSA-N 1 2 331.366 2.435 20 30 EEEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1nccc3ccccc31)C2 ZINC001274525032 1205068241 /nfs/dbraw/zinc/06/82/41/1205068241.db2.gz WUVOPIMPCCFFDC-UHFFFAOYSA-N 1 2 337.423 2.224 20 30 EEEDLO C=CCN1CC[C@]2(CCN(c3nc(N4CCCC4)c(C)c[nH+]3)C2)C1=O ZINC001274730634 1205145878 /nfs/dbraw/zinc/14/58/78/1205145878.db2.gz AVSNNTOWOUIWPS-LJQANCHMSA-N 1 2 341.459 2.000 20 30 EEEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(F)c(O)c1F)CC2 ZINC001274793494 1205170205 /nfs/dbraw/zinc/17/02/05/1205170205.db2.gz AOXSJLOFDLCERO-CYBMUJFWSA-N 1 2 334.366 2.022 20 30 EEEDLO COC(C)(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001274854700 1205187650 /nfs/dbraw/zinc/18/76/50/1205187650.db2.gz FQWOPKPWOGRSOW-HNNXBMFYSA-N 1 2 344.459 2.030 20 30 EEEDLO Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)c(C#N)c1 ZINC001275616770 1205446857 /nfs/dbraw/zinc/44/68/57/1205446857.db2.gz NQOYXFFILLHSAJ-UXHICEINSA-N 1 2 336.439 2.280 20 30 EEEDLO Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)c(C#N)c1 ZINC001275616770 1205446858 /nfs/dbraw/zinc/44/68/58/1205446858.db2.gz NQOYXFFILLHSAJ-UXHICEINSA-N 1 2 336.439 2.280 20 30 EEEDLO CCc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095671138 1205909634 /nfs/dbraw/zinc/90/96/34/1205909634.db2.gz BLYRSFIHPSSUFJ-MNEFBYGVSA-N 1 2 349.438 2.379 20 30 EEEDLO CCc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095671138 1205909635 /nfs/dbraw/zinc/90/96/35/1205909635.db2.gz BLYRSFIHPSSUFJ-MNEFBYGVSA-N 1 2 349.438 2.379 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@H]2C)C1 ZINC001015213472 1224925042 /nfs/dbraw/zinc/92/50/42/1224925042.db2.gz KAWPHNUVLFQSAX-HOTGVXAUSA-N 1 2 344.459 2.125 20 30 EEEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1cc2ccccc2n1CC#N ZINC000928637988 1206404934 /nfs/dbraw/zinc/40/49/34/1206404934.db2.gz DKYDJYOQOGKZMQ-MRXNPFEDSA-N 1 2 340.427 2.005 20 30 EEEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000928650177 1206407340 /nfs/dbraw/zinc/40/73/40/1206407340.db2.gz KQOMZZXXZRFNIA-ROUUACIJSA-N 1 2 329.444 2.301 20 30 EEEDLO N#Cc1ccc(N[C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)nc1 ZINC000928716170 1206414698 /nfs/dbraw/zinc/41/46/98/1206414698.db2.gz FZUXWXDKLODEQS-INIZCTEOSA-N 1 2 338.415 2.033 20 30 EEEDLO N#Cc1ccc(N2CCC(NC(=O)c3cc4c[nH+]ccc4[nH]3)CC2)nc1 ZINC000931727665 1207450671 /nfs/dbraw/zinc/45/06/71/1207450671.db2.gz AWDDLFJSFLSILO-UHFFFAOYSA-N 1 2 346.394 2.228 20 30 EEEDLO CCn1c[nH+]c2c1CCN([C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C2 ZINC000933260603 1207748885 /nfs/dbraw/zinc/74/88/85/1207748885.db2.gz VCZFSMUUHWXGFK-GFCCVEGCSA-N 1 2 341.415 2.370 20 30 EEEDLO CCc1cc(N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@H](C)C#N)C3)nc(C)[nH+]1 ZINC001111264287 1208508572 /nfs/dbraw/zinc/50/85/72/1208508572.db2.gz QGULTGNTRBDPCV-QIJZBDPFSA-N 1 2 341.459 2.371 20 30 EEEDLO C=C(Br)CNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000049287106 1208527239 /nfs/dbraw/zinc/52/72/39/1208527239.db2.gz BKDURNZSPJJFJE-UHFFFAOYSA-N 1 2 344.278 2.484 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C)on3)[C@H](C)C2)c1 ZINC000947710333 1208681519 /nfs/dbraw/zinc/68/15/19/1208681519.db2.gz LUIWKOQWIKEOBO-CXAGYDPISA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C)on3)[C@H](C)C2)c1 ZINC000947710333 1208681521 /nfs/dbraw/zinc/68/15/21/1208681521.db2.gz LUIWKOQWIKEOBO-CXAGYDPISA-N 1 2 338.411 2.142 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1nn(C)cc1Cl ZINC000948920213 1209453210 /nfs/dbraw/zinc/45/32/10/1209453210.db2.gz YLTKLJQDDFVQGZ-MRXNPFEDSA-N 1 2 342.830 2.036 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1nn(C)cc1Cl ZINC000948920213 1209453211 /nfs/dbraw/zinc/45/32/11/1209453211.db2.gz YLTKLJQDDFVQGZ-MRXNPFEDSA-N 1 2 342.830 2.036 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1c(C)ncn1C ZINC000948928405 1209457524 /nfs/dbraw/zinc/45/75/24/1209457524.db2.gz JTEBMXDBTTXMMC-GOSISDBHSA-N 1 2 336.439 2.081 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1c(C)ncn1C ZINC000948928405 1209457527 /nfs/dbraw/zinc/45/75/27/1209457527.db2.gz JTEBMXDBTTXMMC-GOSISDBHSA-N 1 2 336.439 2.081 20 30 EEEDLO C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)C(F)C(F)(F)F)CCO2 ZINC000949095484 1209533420 /nfs/dbraw/zinc/53/34/20/1209533420.db2.gz NJUBZXFFDZPNOF-LBPRGKRZSA-N 1 2 338.345 2.156 20 30 EEEDLO C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H](F)C(F)(F)F)CCO2 ZINC000949095484 1209533422 /nfs/dbraw/zinc/53/34/22/1209533422.db2.gz NJUBZXFFDZPNOF-LBPRGKRZSA-N 1 2 338.345 2.156 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cccc4cccnc43)CC2)C1 ZINC000949409011 1209671992 /nfs/dbraw/zinc/67/19/92/1209671992.db2.gz UBNPHGDLWKUFAP-UHFFFAOYSA-N 1 2 349.434 2.175 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cccc4cccnc43)CC2)C1 ZINC000949409011 1209671993 /nfs/dbraw/zinc/67/19/93/1209671993.db2.gz UBNPHGDLWKUFAP-UHFFFAOYSA-N 1 2 349.434 2.175 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CCc3ccc(C)cc3)CC2)C1 ZINC000949408949 1209672238 /nfs/dbraw/zinc/67/22/38/1209672238.db2.gz QLKYURJOVXAXPE-UHFFFAOYSA-N 1 2 340.467 2.254 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CCc3ccc(C)cc3)CC2)C1 ZINC000949408949 1209672240 /nfs/dbraw/zinc/67/22/40/1209672240.db2.gz QLKYURJOVXAXPE-UHFFFAOYSA-N 1 2 340.467 2.254 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)CC2)C1 ZINC000949427635 1209681453 /nfs/dbraw/zinc/68/14/53/1209681453.db2.gz SBOJCANKWGJRMQ-OKZBNKHCSA-N 1 2 330.472 2.139 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)CC2)C1 ZINC000949427635 1209681455 /nfs/dbraw/zinc/68/14/55/1209681455.db2.gz SBOJCANKWGJRMQ-OKZBNKHCSA-N 1 2 330.472 2.139 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC4CCC3CC4)CC2)C1 ZINC000949531817 1209731252 /nfs/dbraw/zinc/73/12/52/1209731252.db2.gz QPCXETQSDYZLDB-DAWZGUTISA-N 1 2 330.472 2.139 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC4CCC3CC4)CC2)C1 ZINC000949531817 1209731254 /nfs/dbraw/zinc/73/12/54/1209731254.db2.gz QPCXETQSDYZLDB-DAWZGUTISA-N 1 2 330.472 2.139 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(OC)c(OC)c2C)C1 ZINC000950590088 1210292927 /nfs/dbraw/zinc/29/29/27/1210292927.db2.gz XMHUJBIPUBEYLS-UHFFFAOYSA-N 1 2 330.428 2.182 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001012439296 1225314634 /nfs/dbraw/zinc/31/46/34/1225314634.db2.gz PZGAMAPEMOAZQG-AUUYWEPGSA-N 1 2 344.459 2.103 20 30 EEEDLO Cc1nc(N2C[C@@H]3[C@@H](CNC(=O)CC#Cc4ccccc4)[C@@H]3C2)cc[nH+]1 ZINC001114556906 1212017002 /nfs/dbraw/zinc/01/70/02/1212017002.db2.gz FEBSKTHJSLOSDU-LDLYASANSA-N 1 2 346.434 2.025 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)co1 ZINC001007191435 1212460162 /nfs/dbraw/zinc/46/01/62/1212460162.db2.gz WOJPFIWJNMWYJU-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)co1 ZINC001007191435 1212460167 /nfs/dbraw/zinc/46/01/67/1212460167.db2.gz WOJPFIWJNMWYJU-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)co1 ZINC001007191437 1212460555 /nfs/dbraw/zinc/46/05/55/1212460555.db2.gz WOJPFIWJNMWYJU-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)co1 ZINC001007191437 1212460560 /nfs/dbraw/zinc/46/05/60/1212460560.db2.gz WOJPFIWJNMWYJU-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)cs1 ZINC001015604718 1225455184 /nfs/dbraw/zinc/45/51/84/1225455184.db2.gz XMWSUXANPOZCFV-NSHDSACASA-N 1 2 332.454 2.389 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)cs1 ZINC001015604718 1225455193 /nfs/dbraw/zinc/45/51/93/1225455193.db2.gz XMWSUXANPOZCFV-NSHDSACASA-N 1 2 332.454 2.389 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C=C(C)C)CC2)C1 ZINC000956577150 1214095871 /nfs/dbraw/zinc/09/58/71/1214095871.db2.gz NNLAUGHKUCCHBS-QGZVFWFLSA-N 1 2 347.503 2.300 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]([NH+]3CCN(C(=O)CCC)CC3)C2)CC1 ZINC000956579540 1214098760 /nfs/dbraw/zinc/09/87/60/1214098760.db2.gz BUGZUBZIQTUBHY-SFHVURJKSA-N 1 2 347.503 2.278 20 30 EEEDLO C#CCCCCCC(=O)N1CCO[C@@H]([C@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001114642909 1214373514 /nfs/dbraw/zinc/37/35/14/1214373514.db2.gz FTHCEDTZMDLHMK-DOTOQJQBSA-N 1 2 344.459 2.397 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3nc(CC)no3)C[C@H]21 ZINC001114690256 1214981075 /nfs/dbraw/zinc/98/10/75/1214981075.db2.gz XCHHQYBXEONVKG-BSXFFOKHSA-N 1 2 344.459 2.323 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3nc(CC)no3)C[C@H]21 ZINC001114690256 1214981078 /nfs/dbraw/zinc/98/10/78/1214981078.db2.gz XCHHQYBXEONVKG-BSXFFOKHSA-N 1 2 344.459 2.323 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3C)CC2)cn1 ZINC000957381390 1215090863 /nfs/dbraw/zinc/09/08/63/1215090863.db2.gz OBDKKNZKTNBSOQ-UHFFFAOYSA-N 1 2 349.434 2.208 20 30 EEEDLO C[C@H](c1csnn1)[NH+]1CCC2(CCN(C(=O)[C@@H](C)C#N)CC2)CC1 ZINC000957520362 1215183420 /nfs/dbraw/zinc/18/34/20/1215183420.db2.gz RSRHIKWMJYROBQ-UONOGXRCSA-N 1 2 347.488 2.463 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(-c4ccoc4)no3)C[C@H]21 ZINC001114752328 1215229785 /nfs/dbraw/zinc/22/97/85/1215229785.db2.gz BFUMRERUNLGSDP-HALDLXJZSA-N 1 2 342.399 2.232 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(-c4ccoc4)no3)C[C@H]21 ZINC001114752328 1215229788 /nfs/dbraw/zinc/22/97/88/1215229788.db2.gz BFUMRERUNLGSDP-HALDLXJZSA-N 1 2 342.399 2.232 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001015720486 1225592309 /nfs/dbraw/zinc/59/23/09/1225592309.db2.gz BVCONGPYBKCIQF-FMKPAKJESA-N 1 2 336.382 2.246 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC001015720486 1225592312 /nfs/dbraw/zinc/59/23/12/1225592312.db2.gz BVCONGPYBKCIQF-FMKPAKJESA-N 1 2 336.382 2.246 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)[nH]1 ZINC001015721633 1225594354 /nfs/dbraw/zinc/59/43/54/1225594354.db2.gz LOYQINZUCQSBAS-OAHLLOKOSA-N 1 2 341.390 2.042 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)[nH]1 ZINC001015721633 1225594360 /nfs/dbraw/zinc/59/43/60/1225594360.db2.gz LOYQINZUCQSBAS-OAHLLOKOSA-N 1 2 341.390 2.042 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1C=CCC1 ZINC000958182240 1215600502 /nfs/dbraw/zinc/60/05/02/1215600502.db2.gz XUDPPSZLHGUREP-RMRHIDDWSA-N 1 2 325.250 2.298 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1C=CCC1 ZINC000958182240 1215600501 /nfs/dbraw/zinc/60/05/01/1215600501.db2.gz XUDPPSZLHGUREP-RMRHIDDWSA-N 1 2 325.250 2.298 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C4CC4)n[nH]3)C2)s1 ZINC001015743862 1225618148 /nfs/dbraw/zinc/61/81/48/1225618148.db2.gz OZNDEQCLCMLIBZ-GFCCVEGCSA-N 1 2 341.440 2.225 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C4CC4)n[nH]3)C2)s1 ZINC001015743862 1225618151 /nfs/dbraw/zinc/61/81/51/1225618151.db2.gz OZNDEQCLCMLIBZ-GFCCVEGCSA-N 1 2 341.440 2.225 20 30 EEEDLO CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cn1 ZINC001015779170 1225659112 /nfs/dbraw/zinc/65/91/12/1225659112.db2.gz CHSCUKPOFXCYRS-SFHVURJKSA-N 1 2 337.427 2.169 20 30 EEEDLO CCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cn1 ZINC001015779170 1225659114 /nfs/dbraw/zinc/65/91/14/1225659114.db2.gz CHSCUKPOFXCYRS-SFHVURJKSA-N 1 2 337.427 2.169 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCCC[C@H]1C[NH2+]Cc1nc(C)no1 ZINC000960022975 1216305102 /nfs/dbraw/zinc/30/51/02/1216305102.db2.gz QWEWDBKSHQLLHN-HNNXBMFYSA-N 1 2 343.431 2.150 20 30 EEEDLO CO[C@H](C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960454974 1216593496 /nfs/dbraw/zinc/59/34/96/1216593496.db2.gz BAPJSDADHQFFEB-CXAGYDPISA-N 1 2 333.407 2.155 20 30 EEEDLO CO[C@H](C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960454974 1216593498 /nfs/dbraw/zinc/59/34/98/1216593498.db2.gz BAPJSDADHQFFEB-CXAGYDPISA-N 1 2 333.407 2.155 20 30 EEEDLO CCc1cnc(C[N@H+](C)C[C@@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)o1 ZINC000960563475 1216686988 /nfs/dbraw/zinc/68/69/88/1216686988.db2.gz LIIRUGZYTGIWOA-AWEZNQCLSA-N 1 2 341.415 2.173 20 30 EEEDLO CCc1cnc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)o1 ZINC000960563475 1216686992 /nfs/dbraw/zinc/68/69/92/1216686992.db2.gz LIIRUGZYTGIWOA-AWEZNQCLSA-N 1 2 341.415 2.173 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccon1 ZINC000960667017 1216777950 /nfs/dbraw/zinc/77/79/50/1216777950.db2.gz FMZWPVJFALQYMN-MRXNPFEDSA-N 1 2 328.416 2.399 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccon1 ZINC000960667017 1216777953 /nfs/dbraw/zinc/77/79/53/1216777953.db2.gz FMZWPVJFALQYMN-MRXNPFEDSA-N 1 2 328.416 2.399 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3C3CC3)C2)c1 ZINC001015821662 1225711317 /nfs/dbraw/zinc/71/13/17/1225711317.db2.gz YWYRCVRZOHQUPV-YESZJQIVSA-N 1 2 327.403 2.434 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3C3CC3)C2)c1 ZINC001015821662 1225711320 /nfs/dbraw/zinc/71/13/20/1225711320.db2.gz YWYRCVRZOHQUPV-YESZJQIVSA-N 1 2 327.403 2.434 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC2(CC2)C1 ZINC000961751598 1217308352 /nfs/dbraw/zinc/30/83/52/1217308352.db2.gz HJQLLSFHRZSPDI-ITGUQSILSA-N 1 2 325.250 2.132 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC2(CC2)C1 ZINC000961751598 1217308357 /nfs/dbraw/zinc/30/83/57/1217308357.db2.gz HJQLLSFHRZSPDI-ITGUQSILSA-N 1 2 325.250 2.132 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)c1ccon1 ZINC000965323719 1219023399 /nfs/dbraw/zinc/02/33/99/1219023399.db2.gz JPZRFGUDKWBCOL-SJCJKPOMSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)c1ccon1 ZINC000965323719 1219023401 /nfs/dbraw/zinc/02/34/01/1219023401.db2.gz JPZRFGUDKWBCOL-SJCJKPOMSA-N 1 2 342.374 2.326 20 30 EEEDLO Cc1ncncc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1C ZINC000965347885 1219032286 /nfs/dbraw/zinc/03/22/86/1219032286.db2.gz NOEXFTDQXLIWQN-LIRRHRJNSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1ncncc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1C ZINC000965347885 1219032289 /nfs/dbraw/zinc/03/22/89/1219032289.db2.gz NOEXFTDQXLIWQN-LIRRHRJNSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@H]2C)co1 ZINC000965941096 1219382276 /nfs/dbraw/zinc/38/22/76/1219382276.db2.gz NQNVDXFOJBXJTL-CXAGYDPISA-N 1 2 338.411 2.495 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)CC[C@H]2C)co1 ZINC000965941096 1219382278 /nfs/dbraw/zinc/38/22/78/1219382278.db2.gz NQNVDXFOJBXJTL-CXAGYDPISA-N 1 2 338.411 2.495 20 30 EEEDLO C[C@H]1CC[N@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)c1ncccc1O ZINC000965942291 1219383041 /nfs/dbraw/zinc/38/30/41/1219383041.db2.gz XIBZBMGXWKCPAT-WMZOPIPTSA-N 1 2 349.434 2.279 20 30 EEEDLO C[C@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)c1ncccc1O ZINC000965942291 1219383047 /nfs/dbraw/zinc/38/30/47/1219383047.db2.gz XIBZBMGXWKCPAT-WMZOPIPTSA-N 1 2 349.434 2.279 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc3[nH]cnc3c2)C1 ZINC000966416919 1219736688 /nfs/dbraw/zinc/73/66/88/1219736688.db2.gz AIOQWDYOSNWQPW-HZMBPMFUSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc3[nH]cnc3c2)C1 ZINC000966416919 1219736694 /nfs/dbraw/zinc/73/66/94/1219736694.db2.gz AIOQWDYOSNWQPW-HZMBPMFUSA-N 1 2 333.823 2.151 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@H]21 ZINC001114899188 1219957881 /nfs/dbraw/zinc/95/78/81/1219957881.db2.gz NRJVFEPTYWLFKD-ZSHCYNCHSA-N 1 2 331.464 2.008 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@H]21 ZINC001114899188 1219957884 /nfs/dbraw/zinc/95/78/84/1219957884.db2.gz NRJVFEPTYWLFKD-ZSHCYNCHSA-N 1 2 331.464 2.008 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(N(C)C)nc2)C1 ZINC000967115125 1220285544 /nfs/dbraw/zinc/28/55/44/1220285544.db2.gz DCJJMZHUZPTVCH-SWLSCSKDSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(N(C)C)nc2)C1 ZINC000967115125 1220285547 /nfs/dbraw/zinc/28/55/47/1220285547.db2.gz DCJJMZHUZPTVCH-SWLSCSKDSA-N 1 2 336.867 2.340 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1csnn1 ZINC000967493215 1220562688 /nfs/dbraw/zinc/56/26/88/1220562688.db2.gz FCJKYIBMQALTIM-SWLSCSKDSA-N 1 2 341.440 2.050 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1csnn1 ZINC000967493215 1220562691 /nfs/dbraw/zinc/56/26/91/1220562691.db2.gz FCJKYIBMQALTIM-SWLSCSKDSA-N 1 2 341.440 2.050 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1NC(=O)c1cnco1 ZINC000967555879 1220623577 /nfs/dbraw/zinc/62/35/77/1220623577.db2.gz DNRUADPKZKDTQC-WBMJQRKESA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1NC(=O)c1cnco1 ZINC000967555879 1220623583 /nfs/dbraw/zinc/62/35/83/1220623583.db2.gz DNRUADPKZKDTQC-WBMJQRKESA-N 1 2 342.374 2.326 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)cn3)CC[C@@H]2C)cc1 ZINC000967700137 1220749216 /nfs/dbraw/zinc/74/92/16/1220749216.db2.gz FXSBHEJGKFJJDA-MGPUTAFESA-N 1 2 348.450 2.407 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)cn3)CC[C@@H]2C)cc1 ZINC000967700137 1220749218 /nfs/dbraw/zinc/74/92/18/1220749218.db2.gz FXSBHEJGKFJJDA-MGPUTAFESA-N 1 2 348.450 2.407 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ccc(OC)cn2)C1 ZINC000967946922 1220934729 /nfs/dbraw/zinc/93/47/29/1220934729.db2.gz VRLVRHPVKSVEQC-BLLLJJGKSA-N 1 2 337.851 2.212 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ccc(OC)cn2)C1 ZINC000967946922 1220934731 /nfs/dbraw/zinc/93/47/31/1220934731.db2.gz VRLVRHPVKSVEQC-BLLLJJGKSA-N 1 2 337.851 2.212 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccnc3c2ncn3C)C1 ZINC000968320930 1221206797 /nfs/dbraw/zinc/20/67/97/1221206797.db2.gz BLALAQREOJJRBV-BXUZGUMPSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccnc3c2ncn3C)C1 ZINC000968320930 1221206802 /nfs/dbraw/zinc/20/68/02/1221206802.db2.gz BLALAQREOJJRBV-BXUZGUMPSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)c2cnn(C)c2)C1 ZINC000968483027 1221340751 /nfs/dbraw/zinc/34/07/51/1221340751.db2.gz AILRMJSOILNWQB-DOMZBBRYSA-N 1 2 338.883 2.277 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)c2cnn(C)c2)C1 ZINC000968483027 1221340757 /nfs/dbraw/zinc/34/07/57/1221340757.db2.gz AILRMJSOILNWQB-DOMZBBRYSA-N 1 2 338.883 2.277 20 30 EEEDLO N#Cc1cc(C[NH2+][C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)ccc1F ZINC000968752773 1221539234 /nfs/dbraw/zinc/53/92/34/1221539234.db2.gz SSPBQLVOLGAOST-YPMHNXCESA-N 1 2 347.287 2.288 20 30 EEEDLO N#Cc1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)ccc1F ZINC000968752773 1221539236 /nfs/dbraw/zinc/53/92/36/1221539236.db2.gz SSPBQLVOLGAOST-YPMHNXCESA-N 1 2 347.287 2.288 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)co1 ZINC000968803355 1221583056 /nfs/dbraw/zinc/58/30/56/1221583056.db2.gz IRAUUVWZZYEILL-MRXNPFEDSA-N 1 2 341.415 2.357 20 30 EEEDLO Cc1nc(C[N@H+]2CCCCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)co1 ZINC000968803355 1221583060 /nfs/dbraw/zinc/58/30/60/1221583060.db2.gz IRAUUVWZZYEILL-MRXNPFEDSA-N 1 2 341.415 2.357 20 30 EEEDLO Cc1cnc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)cn1 ZINC001006636088 1221873861 /nfs/dbraw/zinc/87/38/61/1221873861.db2.gz VZFVPEYSDUMAGU-KRWDZBQOSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1cnc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)cn1 ZINC001006636088 1221873866 /nfs/dbraw/zinc/87/38/66/1221873866.db2.gz VZFVPEYSDUMAGU-KRWDZBQOSA-N 1 2 335.411 2.051 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)C[C@@H]3CCCO3)C2)c1 ZINC001006820935 1221961499 /nfs/dbraw/zinc/96/14/99/1221961499.db2.gz JXUDEFAGAUGEIK-IRXDYDNUSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)C[C@@H]3CCCO3)C2)c1 ZINC001006820935 1221961503 /nfs/dbraw/zinc/96/15/03/1221961503.db2.gz JXUDEFAGAUGEIK-IRXDYDNUSA-N 1 2 345.418 2.347 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCCOC1 ZINC001006881308 1221996838 /nfs/dbraw/zinc/99/68/38/1221996838.db2.gz MRJPDGHVJXMEPY-PKOBYXMFSA-N 1 2 344.430 2.184 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCCOC1 ZINC001006881308 1221996843 /nfs/dbraw/zinc/99/68/43/1221996843.db2.gz MRJPDGHVJXMEPY-PKOBYXMFSA-N 1 2 344.430 2.184 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1cncc(F)c1 ZINC001007084671 1222088463 /nfs/dbraw/zinc/08/84/63/1222088463.db2.gz IOCRLCDPHIGAFD-IBGZPJMESA-N 1 2 337.398 2.467 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1cncc(F)c1 ZINC001007084671 1222088465 /nfs/dbraw/zinc/08/84/65/1222088465.db2.gz IOCRLCDPHIGAFD-IBGZPJMESA-N 1 2 337.398 2.467 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccnc(Cl)c3)C2)c[nH]1 ZINC001007135767 1222106980 /nfs/dbraw/zinc/10/69/80/1222106980.db2.gz ZAWMTIFCIPMJDZ-CQSZACIVSA-N 1 2 343.818 2.329 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccnc(Cl)c3)C2)c[nH]1 ZINC001007135767 1222106982 /nfs/dbraw/zinc/10/69/82/1222106982.db2.gz ZAWMTIFCIPMJDZ-CQSZACIVSA-N 1 2 343.818 2.329 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)cn2)C1 ZINC001007175097 1222120224 /nfs/dbraw/zinc/12/02/24/1222120224.db2.gz UIFMVLSSAYBZSN-QGZVFWFLSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)cn2)C1 ZINC001007175097 1222120226 /nfs/dbraw/zinc/12/02/26/1222120226.db2.gz UIFMVLSSAYBZSN-QGZVFWFLSA-N 1 2 338.386 2.487 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008573274 1222937049 /nfs/dbraw/zinc/93/70/49/1222937049.db2.gz DOHNAWUYVHCZAR-QBIMZIAESA-N 1 2 345.418 2.203 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008573274 1222937050 /nfs/dbraw/zinc/93/70/50/1222937050.db2.gz DOHNAWUYVHCZAR-QBIMZIAESA-N 1 2 345.418 2.203 20 30 EEEDLO CCc1oncc1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001008720830 1223008886 /nfs/dbraw/zinc/00/88/86/1223008886.db2.gz NCFGCOIMUDBGHQ-QGZVFWFLSA-N 1 2 337.423 2.483 20 30 EEEDLO CCc1oncc1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001008720830 1223008890 /nfs/dbraw/zinc/00/88/90/1223008890.db2.gz NCFGCOIMUDBGHQ-QGZVFWFLSA-N 1 2 337.423 2.483 20 30 EEEDLO CCn1cnc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)c1 ZINC001009232311 1223183529 /nfs/dbraw/zinc/18/35/29/1223183529.db2.gz RXTDOMHWFRVROG-GOSISDBHSA-N 1 2 336.439 2.149 20 30 EEEDLO CCn1cnc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC001009232311 1223183532 /nfs/dbraw/zinc/18/35/32/1223183532.db2.gz RXTDOMHWFRVROG-GOSISDBHSA-N 1 2 336.439 2.149 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)n1C ZINC001010163162 1223582677 /nfs/dbraw/zinc/58/26/77/1223582677.db2.gz AUXJAMGYRUPHER-MRXNPFEDSA-N 1 2 340.402 2.349 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)n1C ZINC001010163162 1223582679 /nfs/dbraw/zinc/58/26/79/1223582679.db2.gz AUXJAMGYRUPHER-MRXNPFEDSA-N 1 2 340.402 2.349 20 30 EEEDLO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001010223563 1223613674 /nfs/dbraw/zinc/61/36/74/1223613674.db2.gz DTFCBWDJQOYONQ-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001010223563 1223613677 /nfs/dbraw/zinc/61/36/77/1223613677.db2.gz DTFCBWDJQOYONQ-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001010327506 1223663644 /nfs/dbraw/zinc/66/36/44/1223663644.db2.gz MDQXATAYTXAQSQ-GJZGRUSLSA-N 1 2 344.459 2.052 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)o1 ZINC001010429751 1223716725 /nfs/dbraw/zinc/71/67/25/1223716725.db2.gz VJLFXFBZZNRTLS-OAHLLOKOSA-N 1 2 342.374 2.307 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)o1 ZINC001010429751 1223716727 /nfs/dbraw/zinc/71/67/27/1223716727.db2.gz VJLFXFBZZNRTLS-OAHLLOKOSA-N 1 2 342.374 2.307 20 30 EEEDLO Cc1ncoc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001010442283 1223721241 /nfs/dbraw/zinc/72/12/41/1223721241.db2.gz NNVUIIKYVCWHKZ-INIZCTEOSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1ncoc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001010442283 1223721246 /nfs/dbraw/zinc/72/12/46/1223721246.db2.gz NNVUIIKYVCWHKZ-INIZCTEOSA-N 1 2 343.814 2.492 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001014463192 1226646857 /nfs/dbraw/zinc/64/68/57/1226646857.db2.gz UAIDCKXRCDUHIA-OAGGEKHMSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001014463192 1226646863 /nfs/dbraw/zinc/64/68/63/1226646863.db2.gz UAIDCKXRCDUHIA-OAGGEKHMSA-N 1 2 349.862 2.407 20 30 EEEDLO CCCn1nccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001014574764 1226794581 /nfs/dbraw/zinc/79/45/81/1226794581.db2.gz CQBPGEJTZMBHOQ-CYBMUJFWSA-N 1 2 343.456 2.231 20 30 EEEDLO CCCn1nccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001014574764 1226794585 /nfs/dbraw/zinc/79/45/85/1226794585.db2.gz CQBPGEJTZMBHOQ-CYBMUJFWSA-N 1 2 343.456 2.231 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)c(OC)c1C ZINC001017644452 1227595913 /nfs/dbraw/zinc/59/59/13/1227595913.db2.gz FZJCVLDVJMNODK-IYBDPMFKSA-N 1 2 342.439 2.324 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)c(OC)c1C ZINC001017644452 1227595918 /nfs/dbraw/zinc/59/59/18/1227595918.db2.gz FZJCVLDVJMNODK-IYBDPMFKSA-N 1 2 342.439 2.324 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]([NH2+]Cc2nnc(CC)o2)[C@@H](C)C1 ZINC001054677633 1248849638 /nfs/dbraw/zinc/84/96/38/1248849638.db2.gz FMEMLZQHZNPRQC-JQWIXIFHSA-N 1 2 340.855 2.347 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001018979378 1228602028 /nfs/dbraw/zinc/60/20/28/1228602028.db2.gz RKUKBZXZGXUISE-GOSISDBHSA-N 1 2 344.459 2.006 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH2+]Cc3nc(CC4CC4)no3)C2)C1 ZINC001019352417 1229020116 /nfs/dbraw/zinc/02/01/16/1229020116.db2.gz QQBVIFNDMNHVSE-AWEZNQCLSA-N 1 2 330.432 2.069 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2[nH]ccc2C)cc1C#N ZINC001038211289 1229689934 /nfs/dbraw/zinc/68/99/34/1229689934.db2.gz KTGJLTNCYSJHMT-INIZCTEOSA-N 1 2 338.411 2.208 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2[nH]ccc2C)cc1C#N ZINC001038211289 1229689938 /nfs/dbraw/zinc/68/99/38/1229689938.db2.gz KTGJLTNCYSJHMT-INIZCTEOSA-N 1 2 338.411 2.208 20 30 EEEDLO CC(C)n1cnc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c1 ZINC001038550699 1229910786 /nfs/dbraw/zinc/91/07/86/1229910786.db2.gz GSSPLJUHOKCCIM-KRWDZBQOSA-N 1 2 337.427 2.340 20 30 EEEDLO CC(C)n1cnc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)c1 ZINC001038550699 1229910790 /nfs/dbraw/zinc/91/07/90/1229910790.db2.gz GSSPLJUHOKCCIM-KRWDZBQOSA-N 1 2 337.427 2.340 20 30 EEEDLO Cc1c(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)c(F)c2)ccn1C ZINC001038676733 1229970219 /nfs/dbraw/zinc/97/02/19/1229970219.db2.gz NDHCOXXANZKQGT-MRXNPFEDSA-N 1 2 340.402 2.349 20 30 EEEDLO Cc1c(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)c(F)c2)ccn1C ZINC001038676733 1229970221 /nfs/dbraw/zinc/97/02/21/1229970221.db2.gz NDHCOXXANZKQGT-MRXNPFEDSA-N 1 2 340.402 2.349 20 30 EEEDLO CCn1nc(C)cc1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038729949 1230002607 /nfs/dbraw/zinc/00/26/07/1230002607.db2.gz VQXOJYDDSVTAOA-QGZVFWFLSA-N 1 2 337.427 2.087 20 30 EEEDLO CCn1nc(C)cc1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038729949 1230002613 /nfs/dbraw/zinc/00/26/13/1230002613.db2.gz VQXOJYDDSVTAOA-QGZVFWFLSA-N 1 2 337.427 2.087 20 30 EEEDLO CCc1nc(C)c(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)o1 ZINC001038881240 1230131186 /nfs/dbraw/zinc/13/11/86/1230131186.db2.gz DOKMCNKLSXQTIL-MRXNPFEDSA-N 1 2 338.411 2.421 20 30 EEEDLO CCc1nc(C)c(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)o1 ZINC001038881240 1230131187 /nfs/dbraw/zinc/13/11/87/1230131187.db2.gz DOKMCNKLSXQTIL-MRXNPFEDSA-N 1 2 338.411 2.421 20 30 EEEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nc2cnccc2s1 ZINC001039402903 1230584901 /nfs/dbraw/zinc/58/49/01/1230584901.db2.gz XTOMJODCQVOIRR-OLZOCXBDSA-N 1 2 326.425 2.003 20 30 EEEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nc2cnccc2s1 ZINC001039402903 1230584905 /nfs/dbraw/zinc/58/49/05/1230584905.db2.gz XTOMJODCQVOIRR-OLZOCXBDSA-N 1 2 326.425 2.003 20 30 EEEDLO Cc1nc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(C#N)cc2)c[nH]1 ZINC001039528642 1230678514 /nfs/dbraw/zinc/67/85/14/1230678514.db2.gz XGMVHJSRWWCGKI-HDICACEKSA-N 1 2 349.438 2.469 20 30 EEEDLO Cc1nc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)cc2)c[nH]1 ZINC001039528642 1230678517 /nfs/dbraw/zinc/67/85/17/1230678517.db2.gz XGMVHJSRWWCGKI-HDICACEKSA-N 1 2 349.438 2.469 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CN1c1cccc(F)c1C#N ZINC001039767656 1230791561 /nfs/dbraw/zinc/79/15/61/1230791561.db2.gz PKVYCPMJJACSJB-OLZOCXBDSA-N 1 2 341.390 2.137 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H](C)C(=O)N(C)C ZINC001039897299 1230895286 /nfs/dbraw/zinc/89/52/86/1230895286.db2.gz XGGGMKFOPJYHTN-OAFZBRQQSA-N 1 2 335.492 2.131 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N(C)C ZINC001039897299 1230895290 /nfs/dbraw/zinc/89/52/90/1230895290.db2.gz XGGGMKFOPJYHTN-OAFZBRQQSA-N 1 2 335.492 2.131 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC001039923253 1230908597 /nfs/dbraw/zinc/90/85/97/1230908597.db2.gz PLZMAZBQJCTLGU-HCXYKTFWSA-N 1 2 341.455 2.238 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC001039923253 1230908600 /nfs/dbraw/zinc/90/86/00/1230908600.db2.gz PLZMAZBQJCTLGU-HCXYKTFWSA-N 1 2 341.455 2.238 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cn(C)ccc3=O)C2)C1 ZINC001040290063 1231154161 /nfs/dbraw/zinc/15/41/61/1231154161.db2.gz VGNDUIFVBKYBIU-GOSISDBHSA-N 1 2 349.862 2.066 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cn(C)ccc3=O)C2)C1 ZINC001040290063 1231154162 /nfs/dbraw/zinc/15/41/62/1231154162.db2.gz VGNDUIFVBKYBIU-GOSISDBHSA-N 1 2 349.862 2.066 20 30 EEEDLO Cc1cc(N2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC001040540407 1231282900 /nfs/dbraw/zinc/28/29/00/1231282900.db2.gz FLQMOMTZQUCLFQ-VHDGCEQUSA-N 1 2 327.432 2.105 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2c[nH]nc2C)CC1 ZINC001045518126 1233789909 /nfs/dbraw/zinc/78/99/09/1233789909.db2.gz TVBMPHCAHKFLOG-UHFFFAOYSA-N 1 2 341.253 2.211 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(C#N)cn1 ZINC001045552096 1233812994 /nfs/dbraw/zinc/81/29/94/1233812994.db2.gz OVKRWYJRZBXAEY-HUUCEWRRSA-N 1 2 338.415 2.067 20 30 EEEDLO O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(O)Cc1ccc(F)cc1 ZINC000900096085 1234010315 /nfs/dbraw/zinc/01/03/15/1234010315.db2.gz QNWMKPVLDCUSKU-SFHVURJKSA-N 1 2 344.386 2.445 20 30 EEEDLO O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(O)Cc1ccc(F)cc1 ZINC000900096085 1234010316 /nfs/dbraw/zinc/01/03/16/1234010316.db2.gz QNWMKPVLDCUSKU-SFHVURJKSA-N 1 2 344.386 2.445 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCOC2(CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC001067622109 1249328220 /nfs/dbraw/zinc/32/82/20/1249328220.db2.gz TWVUOGKIRZWXNU-UHFFFAOYSA-N 1 2 344.459 2.195 20 30 EEEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CCC3CCCCC3)CC2)C1 ZINC001046080350 1234415621 /nfs/dbraw/zinc/41/56/21/1234415621.db2.gz FRLDBZUQUQPJKV-GOSISDBHSA-N 1 2 332.492 2.089 20 30 EEEDLO C[C@@]1(NC(=O)[C@H]2CCCCO2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046234010 1234581132 /nfs/dbraw/zinc/58/11/32/1234581132.db2.gz XPEWULGYJYAGCO-IEBWSBKVSA-N 1 2 345.418 2.347 20 30 EEEDLO C[C@@]1(NC(=O)[C@H]2CCCCO2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046234010 1234581135 /nfs/dbraw/zinc/58/11/35/1234581135.db2.gz XPEWULGYJYAGCO-IEBWSBKVSA-N 1 2 345.418 2.347 20 30 EEEDLO Cc1nc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(C#N)cc3F)C2)co1 ZINC001046256604 1234600814 /nfs/dbraw/zinc/60/08/14/1234600814.db2.gz WSPWKKOXULFDEL-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3F)C2)co1 ZINC001046256604 1234600816 /nfs/dbraw/zinc/60/08/16/1234600816.db2.gz WSPWKKOXULFDEL-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO C=CCOCCCC(=O)N(C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001096099357 1234843959 /nfs/dbraw/zinc/84/39/59/1234843959.db2.gz HNTQHEHNEUFFHR-UHFFFAOYSA-N 1 2 332.448 2.195 20 30 EEEDLO Cc1conc1C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046759616 1235156147 /nfs/dbraw/zinc/15/61/47/1235156147.db2.gz DWRPUKSMDBFVCX-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1conc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046759616 1235156149 /nfs/dbraw/zinc/15/61/49/1235156149.db2.gz DWRPUKSMDBFVCX-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046929944 1235318697 /nfs/dbraw/zinc/31/86/97/1235318697.db2.gz VJGMONMWYLMRDO-LBPRGKRZSA-N 1 2 342.777 2.326 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046929944 1235318699 /nfs/dbraw/zinc/31/86/99/1235318699.db2.gz VJGMONMWYLMRDO-LBPRGKRZSA-N 1 2 342.777 2.326 20 30 EEEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3cccs3)o2)C1 ZINC001047613299 1236286554 /nfs/dbraw/zinc/28/65/54/1236286554.db2.gz CPAVAAWWHNIYES-KBPBESRZSA-N 1 2 344.436 2.149 20 30 EEEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3cccs3)o2)C1 ZINC001047613299 1236286565 /nfs/dbraw/zinc/28/65/65/1236286565.db2.gz CPAVAAWWHNIYES-KBPBESRZSA-N 1 2 344.436 2.149 20 30 EEEDLO C=CCCCC(=O)NCC[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC001096299307 1237241857 /nfs/dbraw/zinc/24/18/57/1237241857.db2.gz CEPUVCSQOFYBKX-UHFFFAOYSA-N 1 2 342.443 2.422 20 30 EEEDLO C=CC[N@H+](CN1C(=O)C[C@H](c2ccc(C)cc2)C1=O)[C@H](C)COC ZINC000902310780 1237382158 /nfs/dbraw/zinc/38/21/58/1237382158.db2.gz AKTSCNHYZXEGRL-NVXWUHKLSA-N 1 2 330.428 2.318 20 30 EEEDLO C=CC[N@@H+](CN1C(=O)C[C@H](c2ccc(C)cc2)C1=O)[C@H](C)COC ZINC000902310780 1237382165 /nfs/dbraw/zinc/38/21/65/1237382165.db2.gz AKTSCNHYZXEGRL-NVXWUHKLSA-N 1 2 330.428 2.318 20 30 EEEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc(-c3nnc[nH]3)c1)C2 ZINC001048552939 1237949197 /nfs/dbraw/zinc/94/91/97/1237949197.db2.gz CSOJFSVJUFFIBR-GBEXYDAJSA-N 1 2 349.438 2.078 20 30 EEEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc(-c3nnc[nH]3)c1)C2 ZINC001048552939 1237949201 /nfs/dbraw/zinc/94/92/01/1237949201.db2.gz CSOJFSVJUFFIBR-GBEXYDAJSA-N 1 2 349.438 2.078 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001056300495 1239157755 /nfs/dbraw/zinc/15/77/55/1239157755.db2.gz MGJVRVXCLRDYJK-ZACQAIPSSA-N 1 2 344.459 2.392 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056518586 1239426745 /nfs/dbraw/zinc/42/67/45/1239426745.db2.gz NIBLKONAVUIZHG-UAGQMJEPSA-N 1 2 344.459 2.146 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(C2(NC(=O)c3c[nH]c(C)cc3=O)CC2)CC1 ZINC001000310682 1240158093 /nfs/dbraw/zinc/15/80/93/1240158093.db2.gz URAWJJHNXYYVKU-UHFFFAOYSA-N 1 2 349.862 2.410 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2nc(C)no2)C1 ZINC001049708756 1241945554 /nfs/dbraw/zinc/94/55/54/1241945554.db2.gz PUYVLBSGRKYCOY-GJZGRUSLSA-N 1 2 330.432 2.300 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2nc(C)no2)C1 ZINC001049708756 1241945565 /nfs/dbraw/zinc/94/55/65/1241945565.db2.gz PUYVLBSGRKYCOY-GJZGRUSLSA-N 1 2 330.432 2.300 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCCN(c3nc(C)[nH+]c(C)c3C)CC2)cn1 ZINC001057158919 1242146784 /nfs/dbraw/zinc/14/67/84/1242146784.db2.gz ORKDRVPDYUTROW-UHFFFAOYSA-N 1 2 349.438 2.131 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C(C)(C)C1 ZINC001073381283 1242403428 /nfs/dbraw/zinc/40/34/28/1242403428.db2.gz JEUDZDGHTZQSKW-CQSZACIVSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cc(Cl)c[nH]2)C1 ZINC001073534323 1242558546 /nfs/dbraw/zinc/55/85/46/1242558546.db2.gz ZLDVLAKLBUDNCF-GFCCVEGCSA-N 1 2 332.231 2.241 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cc(Cl)c[nH]2)C1 ZINC001073534323 1242558559 /nfs/dbraw/zinc/55/85/59/1242558559.db2.gz ZLDVLAKLBUDNCF-GFCCVEGCSA-N 1 2 332.231 2.241 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc3[nH]cnc32)C1 ZINC001073830942 1242740137 /nfs/dbraw/zinc/74/01/37/1242740137.db2.gz RGZRXPAAKWFBAT-ZDUSSCGKSA-N 1 2 348.834 2.136 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cccc3[nH]cnc32)C1 ZINC001073830942 1242740149 /nfs/dbraw/zinc/74/01/49/1242740149.db2.gz RGZRXPAAKWFBAT-ZDUSSCGKSA-N 1 2 348.834 2.136 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001096637199 1243026110 /nfs/dbraw/zinc/02/61/10/1243026110.db2.gz NJWIJHMAWBSLKK-KXBFYZLASA-N 1 2 344.459 2.296 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001096807672 1243308200 /nfs/dbraw/zinc/30/82/00/1243308200.db2.gz SKMRIIYMQAPHMM-KDOFPFPSSA-N 1 2 346.479 2.155 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096932858 1243478374 /nfs/dbraw/zinc/47/83/74/1243478374.db2.gz 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1314617534 /nfs/dbraw/zinc/61/75/34/1314617534.db2.gz GREGBJIWJZWAST-CABCVRRESA-N 1 2 344.459 2.343 20 30 EEEDLO COC(=O)C1(C#N)CC[NH+](Cc2c3cc[nH]c3ncc2Cl)CC1 ZINC001138954433 1314683078 /nfs/dbraw/zinc/68/30/78/1314683078.db2.gz KZMVXADDEHQEAX-UHFFFAOYSA-N 1 2 332.791 2.447 20 30 EEEDLO N#Cc1ccc(Oc2ccc(C[N@@H+]3CCn4nncc4C3)cn2)cc1 ZINC001139427605 1314743089 /nfs/dbraw/zinc/74/30/89/1314743089.db2.gz MDKLENQTBIBKHY-UHFFFAOYSA-N 1 2 332.367 2.353 20 30 EEEDLO N#Cc1ccc(Oc2ccc(C[N@H+]3CCn4nncc4C3)cn2)cc1 ZINC001139427605 1314743092 /nfs/dbraw/zinc/74/30/92/1314743092.db2.gz MDKLENQTBIBKHY-UHFFFAOYSA-N 1 2 332.367 2.353 20 30 EEEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1nc(Br)cs1 ZINC000834762044 1314870651 /nfs/dbraw/zinc/87/06/51/1314870651.db2.gz ZHDAFSHMUDFJID-MRVPVSSYSA-N 1 2 339.280 2.157 20 30 EEEDLO CC1(C(N)=O)CC[NH+](Cc2cc(Br)ccc2C#N)CC1 ZINC001141903241 1315378458 /nfs/dbraw/zinc/37/84/58/1315378458.db2.gz WZMNNZSQGHTAIP-UHFFFAOYSA-N 1 2 336.233 2.408 20 30 EEEDLO O=C(C#CC1CC1)NC[C@H]1C[N@H+](Cc2cc(F)cc(F)c2)CCCO1 ZINC001149694217 1316017091 /nfs/dbraw/zinc/01/70/91/1316017091.db2.gz KLULNWBPENKYDZ-SFHVURJKSA-N 1 2 348.393 2.085 20 30 EEEDLO O=C(C#CC1CC1)NC[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CCCO1 ZINC001149694217 1316017094 /nfs/dbraw/zinc/01/70/94/1316017094.db2.gz KLULNWBPENKYDZ-SFHVURJKSA-N 1 2 348.393 2.085 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1C[N@H+](Cc2cncc(F)c2)CCCO1 ZINC001149790352 1316049906 /nfs/dbraw/zinc/04/99/06/1316049906.db2.gz ZFLKAFCYWHCLEY-KRWDZBQOSA-N 1 2 335.423 2.284 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1C[N@@H+](Cc2cncc(F)c2)CCCO1 ZINC001149790352 1316049909 /nfs/dbraw/zinc/04/99/09/1316049909.db2.gz ZFLKAFCYWHCLEY-KRWDZBQOSA-N 1 2 335.423 2.284 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001150030233 1316132343 /nfs/dbraw/zinc/13/23/43/1316132343.db2.gz ORTKTTXAQWTLGH-IVSAIRAKSA-N 1 2 326.868 2.382 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001150030233 1316132345 /nfs/dbraw/zinc/13/23/45/1316132345.db2.gz ORTKTTXAQWTLGH-IVSAIRAKSA-N 1 2 326.868 2.382 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2cc(C)n(C)n2)CCCO1 ZINC001150141260 1316178588 /nfs/dbraw/zinc/17/85/88/1316178588.db2.gz ZAUANHBORNZKIZ-MAUKXSAKSA-N 1 2 348.491 2.038 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)n(C)n2)CCCO1 ZINC001150141260 1316178592 /nfs/dbraw/zinc/17/85/92/1316178592.db2.gz ZAUANHBORNZKIZ-MAUKXSAKSA-N 1 2 348.491 2.038 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2ccns2)CCCO1 ZINC001150247073 1316213945 /nfs/dbraw/zinc/21/39/45/1316213945.db2.gz LUEIJQCYJPMBKK-RHSMWYFYSA-N 1 2 337.489 2.453 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2ccns2)CCCO1 ZINC001150247073 1316213949 /nfs/dbraw/zinc/21/39/49/1316213949.db2.gz LUEIJQCYJPMBKK-RHSMWYFYSA-N 1 2 337.489 2.453 20 30 EEEDLO C#CCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cn(C(C)C)nn1 ZINC001152867432 1316735423 /nfs/dbraw/zinc/73/54/23/1316735423.db2.gz RYLWBLUUSKGAOX-MRXNPFEDSA-N 1 2 333.480 2.379 20 30 EEEDLO C#CCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cn(C(C)C)nn1 ZINC001152867432 1316735426 /nfs/dbraw/zinc/73/54/26/1316735426.db2.gz RYLWBLUUSKGAOX-MRXNPFEDSA-N 1 2 333.480 2.379 20 30 EEEDLO C#CC[C@@H](CC(=O)NCC[NH2+]Cc1nccc(C)n1)c1ccccc1 ZINC001153714128 1316868017 /nfs/dbraw/zinc/86/80/17/1316868017.db2.gz GAEACLIZHLQWSM-SFHVURJKSA-N 1 2 336.439 2.188 20 30 EEEDLO N#Cc1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2F)nc1 ZINC001250462060 1317259105 /nfs/dbraw/zinc/25/91/05/1317259105.db2.gz ISJINDCZPCYOBN-UHFFFAOYSA-N 1 2 327.359 2.470 20 30 EEEDLO CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)c1[nH]ncc1F ZINC001155077123 1317445069 /nfs/dbraw/zinc/44/50/69/1317445069.db2.gz LVBYUJIXDAIKBV-GFCCVEGCSA-N 1 2 329.379 2.061 20 30 EEEDLO CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)c1[nH]ncc1F ZINC001155077123 1317445074 /nfs/dbraw/zinc/44/50/74/1317445074.db2.gz LVBYUJIXDAIKBV-GFCCVEGCSA-N 1 2 329.379 2.061 20 30 EEEDLO C=CCOC[C@H](O)C[NH2+][C@@H](CC(C)C)C(=O)OCc1ccccc1 ZINC001252450829 1317603921 /nfs/dbraw/zinc/60/39/21/1317603921.db2.gz IQSCMNDNAJJZPN-MSOLQXFVSA-N 1 2 335.444 2.298 20 30 EEEDLO C=CCCCCCC[C@H](O)C[N@@H+]1Cc2nnn(C)c2[C@H](COC)C1 ZINC001253237484 1317804868 /nfs/dbraw/zinc/80/48/68/1317804868.db2.gz ZKRSHBOBNSWJEZ-HOTGVXAUSA-N 1 2 336.480 2.248 20 30 EEEDLO C=CCCCCCC[C@H](O)C[N@H+]1Cc2nnn(C)c2[C@H](COC)C1 ZINC001253237484 1317804877 /nfs/dbraw/zinc/80/48/77/1317804877.db2.gz ZKRSHBOBNSWJEZ-HOTGVXAUSA-N 1 2 336.480 2.248 20 30 EEEDLO C=c1[nH]c(=O)[nH]c(=O)c1=C(C)[NH2+]Nc1cncc(Br)c1 ZINC001253685883 1317913812 /nfs/dbraw/zinc/91/38/12/1317913812.db2.gz RTZKORRZIXASKB-UHFFFAOYSA-N 1 2 338.165 2.190 20 30 EEEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254951134 1318237038 /nfs/dbraw/zinc/23/70/38/1318237038.db2.gz RDMFDBGGZAOWPS-BORJPKMPSA-N 1 2 344.459 2.158 20 30 EEEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254951134 1318237044 /nfs/dbraw/zinc/23/70/44/1318237044.db2.gz RDMFDBGGZAOWPS-BORJPKMPSA-N 1 2 344.459 2.158 20 30 EEEDLO O=C(N1CCC([NH2+]CC(F)(F)C(F)(F)F)CC1)C(F)(F)F ZINC001255969712 1318580104 /nfs/dbraw/zinc/58/01/04/1318580104.db2.gz DNDSNSYIKJJOFH-UHFFFAOYSA-N 1 2 328.203 2.327 20 30 EEEDLO COc1cc(N2CCN(c3nc(Cl)c(F)cc3C#N)CC2)cc[nH+]1 ZINC001158099171 1319012906 /nfs/dbraw/zinc/01/29/06/1319012906.db2.gz WCAXIAZCGISESO-UHFFFAOYSA-N 1 2 347.781 2.476 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cn(C)nn1 ZINC001158369503 1319207703 /nfs/dbraw/zinc/20/77/03/1319207703.db2.gz HKNNKKVKGFQFBQ-DOTOQJQBSA-N 1 2 333.480 2.230 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cn(C)nn1 ZINC001158369503 1319207713 /nfs/dbraw/zinc/20/77/13/1319207713.db2.gz HKNNKKVKGFQFBQ-DOTOQJQBSA-N 1 2 333.480 2.230 20 30 EEEDLO C=CCOC(=O)N[C@@H]1CCCN(c2[nH+]c(C)cc(C)c2C(=O)OC)C1 ZINC001158910841 1319503056 /nfs/dbraw/zinc/50/30/56/1319503056.db2.gz GXFWTVPBNRCGNL-CQSZACIVSA-N 1 2 347.415 2.366 20 30 EEEDLO CCOC(=O)n1nc2c(c1Nc1ncc(F)cc1C#N)C[NH2+]C2(C)C ZINC001159654748 1319936887 /nfs/dbraw/zinc/93/68/87/1319936887.db2.gz HKISUMBGCIYKSE-UHFFFAOYSA-N 1 2 344.350 2.375 20 30 EEEDLO CC#CCCCC(=O)NCCC1=CC[N@H+](Cc2cnns2)CC1 ZINC001160954018 1320330959 /nfs/dbraw/zinc/33/09/59/1320330959.db2.gz ODGIZOWLSXZENE-UHFFFAOYSA-N 1 2 332.473 2.370 20 30 EEEDLO CC#CCCCC(=O)NCCC1=CC[N@@H+](Cc2cnns2)CC1 ZINC001160954018 1320330963 /nfs/dbraw/zinc/33/09/63/1320330963.db2.gz ODGIZOWLSXZENE-UHFFFAOYSA-N 1 2 332.473 2.370 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)c2c[nH]c(C)cc2=O)CC1 ZINC001161627555 1320563948 /nfs/dbraw/zinc/56/39/48/1320563948.db2.gz NFNAUNKXSLKIJW-UHFFFAOYSA-N 1 2 335.835 2.188 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)c2c[nH]c(C)cc2=O)CC1 ZINC001161627555 1320563951 /nfs/dbraw/zinc/56/39/51/1320563951.db2.gz NFNAUNKXSLKIJW-UHFFFAOYSA-N 1 2 335.835 2.188 20 30 EEEDLO CCCCc1nc(C[NH2+]CC2(CCNC(=O)C#CC(C)C)CC2)no1 ZINC001164461016 1321386287 /nfs/dbraw/zinc/38/62/87/1321386287.db2.gz LQBRWOCEWWJBJE-UHFFFAOYSA-N 1 2 346.475 2.448 20 30 EEEDLO Cc1c[nH+]c(N2CCCN(c3ccc(C#N)cn3)CC2)nc1NC1CC1 ZINC001166840884 1321798200 /nfs/dbraw/zinc/79/82/00/1321798200.db2.gz KTZLBIZLFNMHBH-UHFFFAOYSA-N 1 2 349.442 2.343 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2nc(C)oc2C)C[C@H]1C ZINC001206429342 1323490764 /nfs/dbraw/zinc/49/07/64/1323490764.db2.gz XWNKUUYRWHQWBJ-XNRPHZJLSA-N 1 2 335.448 2.209 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)oc2C)C[C@H]1C ZINC001206429342 1323490766 /nfs/dbraw/zinc/49/07/66/1323490766.db2.gz XWNKUUYRWHQWBJ-XNRPHZJLSA-N 1 2 335.448 2.209 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2noc3c2CCCC3)C[C@H]1C ZINC001206912231 1323694803 /nfs/dbraw/zinc/69/48/03/1323694803.db2.gz AZUIYCQNTOPCTR-GDBMZVCRSA-N 1 2 329.444 2.293 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2noc3c2CCCC3)C[C@H]1C ZINC001206912231 1323694805 /nfs/dbraw/zinc/69/48/05/1323694805.db2.gz AZUIYCQNTOPCTR-GDBMZVCRSA-N 1 2 329.444 2.293 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc(C(C)C)no2)C[C@H]1C ZINC001206912338 1323694863 /nfs/dbraw/zinc/69/48/63/1323694863.db2.gz GKGPFMHZXXNABF-RBSFLKMASA-N 1 2 332.448 2.494 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc(C(C)C)no2)C[C@H]1C ZINC001206912338 1323694867 /nfs/dbraw/zinc/69/48/67/1323694867.db2.gz GKGPFMHZXXNABF-RBSFLKMASA-N 1 2 332.448 2.494 20 30 EEEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1C ZINC001206968249 1323756677 /nfs/dbraw/zinc/75/66/77/1323756677.db2.gz WRSBVTFXXYGADG-IAGOWNOFSA-N 1 2 346.475 2.176 20 30 EEEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1C ZINC001206968249 1323756684 /nfs/dbraw/zinc/75/66/84/1323756684.db2.gz WRSBVTFXXYGADG-IAGOWNOFSA-N 1 2 346.475 2.176 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC3(CCN3C(=O)Nc3cccnc3)C2)c(O)c1 ZINC001279497687 1323917011 /nfs/dbraw/zinc/91/70/11/1323917011.db2.gz LAGAAQJARCAPSH-UHFFFAOYSA-N 1 2 349.394 2.151 20 30 EEEDLO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC001207438380 1323973840 /nfs/dbraw/zinc/97/38/40/1323973840.db2.gz OPTXHDFEYRNNIZ-RHSMWYFYSA-N 1 2 339.443 2.488 20 30 EEEDLO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC001207438380 1323973845 /nfs/dbraw/zinc/97/38/45/1323973845.db2.gz OPTXHDFEYRNNIZ-RHSMWYFYSA-N 1 2 339.443 2.488 20 30 EEEDLO C#CCCCCC(=O)N1CCC[C@H]([NH2+]Cc2nnc(C(C)C)o2)C1 ZINC001207860057 1324184715 /nfs/dbraw/zinc/18/47/15/1324184715.db2.gz FVONMYULNZVRFL-HNNXBMFYSA-N 1 2 332.448 2.467 20 30 EEEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1CCCc1ccc(C)o1 ZINC001207943191 1324222116 /nfs/dbraw/zinc/22/21/16/1324222116.db2.gz DKFZMDAOFRMZNN-KRWDZBQOSA-N 1 2 330.432 2.451 20 30 EEEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1CCCc1ccc(C)o1 ZINC001207943191 1324222122 /nfs/dbraw/zinc/22/21/22/1324222122.db2.gz DKFZMDAOFRMZNN-KRWDZBQOSA-N 1 2 330.432 2.451 20 30 EEEDLO C#CCC1(C(=O)N2CCC[C@@H]([NH2+]Cc3nc(CCC)no3)C2)CCC1 ZINC001208318747 1324421561 /nfs/dbraw/zinc/42/15/61/1324421561.db2.gz HAGYVGJJMXFYDY-OAHLLOKOSA-N 1 2 344.459 2.296 20 30 EEEDLO C#CCC1(C(=O)N2CCC[C@@H]([NH2+]Cc3nc(C(C)C)no3)C2)CCC1 ZINC001208319444 1324422316 /nfs/dbraw/zinc/42/23/16/1324422316.db2.gz UDXKTPDWEJJHKS-OAHLLOKOSA-N 1 2 344.459 2.467 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2nn(CC)nc2C)C[C@H]1C ZINC001208393459 1324472263 /nfs/dbraw/zinc/47/22/63/1324472263.db2.gz REIVDVKAAGCEAN-VNQPRFMTSA-N 1 2 333.480 2.145 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2nn(CC)nc2C)C[C@H]1C ZINC001208393459 1324472270 /nfs/dbraw/zinc/47/22/70/1324472270.db2.gz REIVDVKAAGCEAN-VNQPRFMTSA-N 1 2 333.480 2.145 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](Cc2noc3c2COCC3)C[C@H]1C ZINC001208458720 1324509030 /nfs/dbraw/zinc/50/90/30/1324509030.db2.gz UYBQEVQMCFSGOT-UKRRQHHQSA-N 1 2 333.432 2.040 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2noc3c2COCC3)C[C@H]1C ZINC001208458720 1324509035 /nfs/dbraw/zinc/50/90/35/1324509035.db2.gz UYBQEVQMCFSGOT-UKRRQHHQSA-N 1 2 333.432 2.040 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc(OC)no3)C[C@H]2C)CC1 ZINC001208515058 1324537554 /nfs/dbraw/zinc/53/75/54/1324537554.db2.gz CPCFMWUPXYZCBM-UKRRQHHQSA-N 1 2 333.432 2.366 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(OC)no3)C[C@H]2C)CC1 ZINC001208515058 1324537559 /nfs/dbraw/zinc/53/75/59/1324537559.db2.gz CPCFMWUPXYZCBM-UKRRQHHQSA-N 1 2 333.432 2.366 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]2C)CCOCC1 ZINC001210660896 1325374554 /nfs/dbraw/zinc/37/45/54/1325374554.db2.gz WYAQMWZWEGCGMR-GDBMZVCRSA-N 1 2 347.459 2.292 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]2C)CCOCC1 ZINC001210660896 1325374559 /nfs/dbraw/zinc/37/45/59/1325374559.db2.gz WYAQMWZWEGCGMR-GDBMZVCRSA-N 1 2 347.459 2.292 20 30 EEEDLO C=CC[C@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C(=O)OCC ZINC001308738655 1331603248 /nfs/dbraw/zinc/60/32/48/1331603248.db2.gz BBTBTAQVBJEHDL-MJBXVCDLSA-N 1 2 326.437 2.387 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC001316974330 1332023947 /nfs/dbraw/zinc/02/39/47/1332023947.db2.gz QETREOMGXJHKPY-DOTOQJQBSA-N 1 2 341.455 2.121 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC001316974330 1332023951 /nfs/dbraw/zinc/02/39/51/1332023951.db2.gz QETREOMGXJHKPY-DOTOQJQBSA-N 1 2 341.455 2.121 20 30 EEEDLO Cc1noc([C@@H](C)[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)n1 ZINC001324883707 1333780003 /nfs/dbraw/zinc/78/00/03/1333780003.db2.gz FVRWXLGINGNUBF-GFCCVEGCSA-N 1 2 337.387 2.401 20 30 EEEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCN(c2cnn(C)c2)C1 ZINC001327680035 1334332620 /nfs/dbraw/zinc/33/26/20/1334332620.db2.gz JTBFYQONSWVFFX-HNNXBMFYSA-N 1 2 325.416 2.298 20 30 EEEDLO C=C[C@@](C)(O)C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001327825217 1334351142 /nfs/dbraw/zinc/35/11/42/1334351142.db2.gz YLZQBUPWVMWCGL-GOSISDBHSA-N 1 2 328.416 2.424 20 30 EEEDLO C#CCOCC[N@@H+](C)CC(=O)N(CC)c1nc2ccccc2s1 ZINC001336051049 1336471168 /nfs/dbraw/zinc/47/11/68/1336471168.db2.gz KTJBKYLLIDKZBV-UHFFFAOYSA-N 1 2 331.441 2.231 20 30 EEEDLO C#CCOCC[N@H+](C)CC(=O)N(CC)c1nc2ccccc2s1 ZINC001336051049 1336471171 /nfs/dbraw/zinc/47/11/71/1336471171.db2.gz KTJBKYLLIDKZBV-UHFFFAOYSA-N 1 2 331.441 2.231 20 30 EEEDLO C=CC(C)(C)C(=O)NCCN(C)c1[nH+]c(C)nc(-n2cccn2)c1C ZINC001100255216 1338209105 /nfs/dbraw/zinc/20/91/05/1338209105.db2.gz DUQBOBYMQLOWTK-UHFFFAOYSA-N 1 2 342.447 2.044 20 30 EEEDLO C=C(Cl)Cn1c(C2CCC2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001434584159 1341878274 /nfs/dbraw/zinc/87/82/74/1341878274.db2.gz GMTJOFZHBZZPBF-UHFFFAOYSA-N 1 2 339.871 2.067 20 30 EEEDLO N#CC1(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CCOCC1 ZINC001646624661 1352889747 /nfs/dbraw/zinc/88/97/47/1352889747.db2.gz MXIRQCALPUOZCY-INIZCTEOSA-N 1 2 338.411 2.368 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C(C)(F)F)CC3)C[C@@H]21 ZINC001074341778 1367223851 /nfs/dbraw/zinc/22/38/51/1367223851.db2.gz XONHFIUBRCFCNC-UONOGXRCSA-N 1 2 328.403 2.300 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C(C)(F)F)CC3)C[C@@H]21 ZINC001074341778 1367223859 /nfs/dbraw/zinc/22/38/59/1367223859.db2.gz XONHFIUBRCFCNC-UONOGXRCSA-N 1 2 328.403 2.300 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+]([C@@H](C)c2cccc(OC)c2)C1 ZINC001030979909 1367490310 /nfs/dbraw/zinc/49/03/10/1367490310.db2.gz XTRBKEXGIQQJPP-VHSSKADRSA-N 1 2 330.428 2.148 20 30 EEEDLO C[N@H+](Cc1c(F)cccc1F)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001188959690 1368334917 /nfs/dbraw/zinc/33/49/17/1368334917.db2.gz XMKGZOFXMCDSPN-LBPRGKRZSA-N 1 2 339.411 2.254 20 30 EEEDLO C[N@@H+](Cc1c(F)cccc1F)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001188959690 1368334921 /nfs/dbraw/zinc/33/49/21/1368334921.db2.gz XMKGZOFXMCDSPN-LBPRGKRZSA-N 1 2 339.411 2.254 20 30 EEEDLO N#Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C2CCCC2)s1 ZINC001273698927 1368522949 /nfs/dbraw/zinc/52/29/49/1368522949.db2.gz GMWDPEPUBKFBTE-CABCVRRESA-N 1 2 331.441 2.088 20 30 EEEDLO N#Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C2CCCC2)s1 ZINC001273698927 1368522961 /nfs/dbraw/zinc/52/29/61/1368522961.db2.gz GMWDPEPUBKFBTE-CABCVRRESA-N 1 2 331.441 2.088 20 30 EEEDLO Cc1nc(N2CC[C@](C)(NC(=O)C#CC3CC3)C2)c2c([nH+]1)CCCC2 ZINC001110753839 1369422238 /nfs/dbraw/zinc/42/22/38/1369422238.db2.gz RLBAVGSPJXNJLZ-FQEVSTJZSA-N 1 2 338.455 2.162 20 30 EEEDLO C=C(C)C[N@H+](Cc1ccccc1)CN1C(=O)C(=O)N(CC(C)C)C1=O ZINC000794651717 1369596317 /nfs/dbraw/zinc/59/63/17/1369596317.db2.gz VWIGNSAOYQKOSG-UHFFFAOYSA-N 1 2 343.427 2.469 20 30 EEEDLO C=C(C)C[N@@H+](Cc1ccccc1)CN1C(=O)C(=O)N(CC(C)C)C1=O ZINC000794651717 1369596318 /nfs/dbraw/zinc/59/63/18/1369596318.db2.gz VWIGNSAOYQKOSG-UHFFFAOYSA-N 1 2 343.427 2.469 20 30 EEEDLO C=CCOCCCC(=O)NC[C@@H]([NH2+]CCF)c1ccccc1OC ZINC001198638038 1369759982 /nfs/dbraw/zinc/75/99/82/1369759982.db2.gz UJUPHXFNANWNDS-MRXNPFEDSA-N 1 2 338.423 2.394 20 30 EEEDLO CC#CCCCC(=O)N1CCC(CC)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001069546143 1370174984 /nfs/dbraw/zinc/17/49/84/1370174984.db2.gz FKJVFNHQYZSKDW-UHFFFAOYSA-N 1 2 344.459 2.033 20 30 EEEDLO C#CCC[N@H+]1C[C@@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)CC[C@H]1C ZINC001071692241 1370557748 /nfs/dbraw/zinc/55/77/48/1370557748.db2.gz GLJVSBJYCLHRLZ-PWSUYJOCSA-N 1 2 342.365 2.343 20 30 EEEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)CC[C@H]1C ZINC001071692241 1370557754 /nfs/dbraw/zinc/55/77/54/1370557754.db2.gz GLJVSBJYCLHRLZ-PWSUYJOCSA-N 1 2 342.365 2.343 20 30 EEEDLO C=CCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001072641346 1370770397 /nfs/dbraw/zinc/77/03/97/1370770397.db2.gz NTXODDQYHGVQTK-HUUCEWRRSA-N 1 2 340.427 2.267 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001073560424 1370883759 /nfs/dbraw/zinc/88/37/59/1370883759.db2.gz LFYUDHPWUNDAIK-WCVJEAGWSA-N 1 2 326.868 2.382 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001073560424 1370883765 /nfs/dbraw/zinc/88/37/65/1370883765.db2.gz LFYUDHPWUNDAIK-WCVJEAGWSA-N 1 2 326.868 2.382 20 30 EEEDLO C#CCOCCC(=O)N[C@@]1(CNc2cc[nH+]c(C)n2)CCCC[C@H]1C ZINC001103601832 1371034807 /nfs/dbraw/zinc/03/48/07/1371034807.db2.gz LCDAGENGXMDPSH-DNVCBOLYSA-N 1 2 344.459 2.302 20 30 EEEDLO C=CCOCC(=O)N1C[C@H](C)[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001112310750 1371385945 /nfs/dbraw/zinc/38/59/45/1371385945.db2.gz RVMBVAQNCMLNLP-SUMWQHHRSA-N 1 2 344.459 2.125 20 30 EEEDLO CC(C)C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(CNCC#N)C1)n1cc[nH+]c1 ZINC001112418124 1371436377 /nfs/dbraw/zinc/43/63/77/1371436377.db2.gz JKCDDSFLRDXBNJ-SCTDSRPQSA-N 1 2 343.475 2.212 20 30 EEEDLO C[C@H](CCCNc1ccc(C#N)nc1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001115096444 1371517828 /nfs/dbraw/zinc/51/78/28/1371517828.db2.gz STDYLQSIFJXMPB-CABCVRRESA-N 1 2 340.431 2.498 20 30 EEEDLO C[C@@H](CCCNc1ncccc1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001115109732 1371524627 /nfs/dbraw/zinc/52/46/27/1371524627.db2.gz AALJORGPOKWVMY-NWANDNLSSA-N 1 2 338.415 2.177 20 30 EEEDLO C[C@@H](CCCNc1ncccc1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001115109732 1371524633 /nfs/dbraw/zinc/52/46/33/1371524633.db2.gz AALJORGPOKWVMY-NWANDNLSSA-N 1 2 338.415 2.177 20 30 EEEDLO C#CCCCCC(=O)NC1CC2(C1)CC([NH2+]Cc1noc(CC)n1)C2 ZINC001120968003 1371848610 /nfs/dbraw/zinc/84/86/10/1371848610.db2.gz CHWBKLNCDSLKHJ-UHFFFAOYSA-N 1 2 344.459 2.343 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)C1CCC1 ZINC001121493134 1371888016 /nfs/dbraw/zinc/88/80/16/1371888016.db2.gz VJOVNNLMIZDYHZ-HZPDHXFCSA-N 1 2 331.464 2.379 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)C1CCC1 ZINC001121493134 1371888028 /nfs/dbraw/zinc/88/80/28/1371888028.db2.gz VJOVNNLMIZDYHZ-HZPDHXFCSA-N 1 2 331.464 2.379 20 30 EEEDLO CC(C)C#CC(=O)NC[C@H](CO)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001121519888 1371891305 /nfs/dbraw/zinc/89/13/05/1371891305.db2.gz AYSTUTLDRPMNAF-OAHLLOKOSA-N 1 2 346.475 2.272 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H](CO)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001122097600 1371945839 /nfs/dbraw/zinc/94/58/39/1371945839.db2.gz BCHMUTFYOZEISS-CQSZACIVSA-N 1 2 334.464 2.400 20 30 EEEDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](O)C[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001139525703 1372513164 /nfs/dbraw/zinc/51/31/64/1372513164.db2.gz ILOGYAKLMRYPSN-GJZGRUSLSA-N 1 2 349.406 2.157 20 30 EEEDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](O)C[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001139525703 1372513168 /nfs/dbraw/zinc/51/31/68/1372513168.db2.gz ILOGYAKLMRYPSN-GJZGRUSLSA-N 1 2 349.406 2.157 20 30 EEEDLO Cc1cc(Br)cn2cc(CCNC(=O)C#CC3CC3)[nH+]c12 ZINC000837529273 1372789187 /nfs/dbraw/zinc/78/91/87/1372789187.db2.gz NOSWDTYZFSTUCK-UHFFFAOYSA-N 1 2 346.228 2.477 20 30 EEEDLO C#CCC[C@H](O)CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000838630017 1372857318 /nfs/dbraw/zinc/85/73/18/1372857318.db2.gz UTGXPYIIPXTTCV-ZDUSSCGKSA-N 1 2 346.818 2.099 20 30 EEEDLO COCC1(CC(=O)NCC[N@H+](C)Cc2cc(C#N)ccc2F)CC1 ZINC001366527297 1373938683 /nfs/dbraw/zinc/93/86/83/1373938683.db2.gz FEJRKODOKCRWHO-UHFFFAOYSA-N 1 2 333.407 2.062 20 30 EEEDLO COCC1(CC(=O)NCC[N@@H+](C)Cc2cc(C#N)ccc2F)CC1 ZINC001366527297 1373938688 /nfs/dbraw/zinc/93/86/88/1373938688.db2.gz FEJRKODOKCRWHO-UHFFFAOYSA-N 1 2 333.407 2.062 20 30 EEEDLO C[C@H](C[N@H+](C)Cc1cc(C#N)ccc1F)NC(=O)c1ncccc1O ZINC001367793593 1374267846 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Cc1nsc(NC2(CNC(=O)Cc3[nH]cc[nH+]3)CCCC2)c1C#N ZINC001104401741 760306471 /nfs/dbraw/zinc/30/64/71/760306471.db2.gz BWBMYEALMMRTCC-UHFFFAOYSA-N 1 2 344.444 2.130 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H](C)N(C)C(=O)c2cccc3[nH+]ccn32)n1 ZINC001104730733 764852172 /nfs/dbraw/zinc/85/21/72/764852172.db2.gz LGBXPQLPZAFOIC-AWEZNQCLSA-N 1 2 348.410 2.482 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@H](C)CNc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001104804250 765323892 /nfs/dbraw/zinc/32/38/92/765323892.db2.gz AGMGKKLDKCRNMO-CQSZACIVSA-N 1 2 343.475 2.080 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@H](C)CNc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001104804250 765323896 /nfs/dbraw/zinc/32/38/96/765323896.db2.gz AGMGKKLDKCRNMO-CQSZACIVSA-N 1 2 343.475 2.080 20 30 EEEDLO C[C@H](CC(=O)N(C)[C@@H](C)CNc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001104834624 765390916 /nfs/dbraw/zinc/39/09/16/765390916.db2.gz YFWVKJZFJATIAV-KGLIPLIRSA-N 1 2 326.404 2.060 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](Nc2[nH+]cnc3c2cnn3C)[C@@H](C)C1 ZINC001105054724 768964724 /nfs/dbraw/zinc/96/47/24/768964724.db2.gz CNZVGEVGXSWZJH-ZFWWWQNUSA-N 1 2 342.447 2.369 20 30 EEEDLO Cc1nc(NC[C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C)cc[nH+]1 ZINC001125908864 769070361 /nfs/dbraw/zinc/07/03/61/769070361.db2.gz JWYBQFDVQQRJNZ-AWEZNQCLSA-N 1 2 326.404 2.241 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cnc(C2CC2)nc1 ZINC001032030932 782742169 /nfs/dbraw/zinc/74/21/69/782742169.db2.gz NGMCFNCERRBARG-UHFFFAOYSA-N 1 2 346.434 2.067 20 30 EEEDLO CC(C)[C@H](CNC(=O)c1cccc2[nH+]ccn21)Nc1ncccc1C#N ZINC001105250891 769468933 /nfs/dbraw/zinc/46/89/33/769468933.db2.gz XZDNFNRESFCNQB-HNNXBMFYSA-N 1 2 348.410 2.467 20 30 EEEDLO Cc1ncc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)s1 ZINC001031573745 769792038 /nfs/dbraw/zinc/79/20/38/769792038.db2.gz CCLNXCQBLIKSPF-UHFFFAOYSA-N 1 2 344.415 2.324 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ccnc(F)c3)C2)s1 ZINC001031573878 769792823 /nfs/dbraw/zinc/79/28/23/769792823.db2.gz CGHTUVXGOGRGSP-UHFFFAOYSA-N 1 2 330.388 2.016 20 30 EEEDLO Cc1cncc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001031593234 769957312 /nfs/dbraw/zinc/95/73/12/769957312.db2.gz AIIADPCLKPDXNO-UHFFFAOYSA-N 1 2 338.386 2.263 20 30 EEEDLO Cc1nc(C)c(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)o1 ZINC001031595082 769963731 /nfs/dbraw/zinc/96/37/31/769963731.db2.gz QHBONJFCVLJLHY-UHFFFAOYSA-N 1 2 341.386 2.144 20 30 EEEDLO C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cnns2)C1 ZINC001087422597 770061372 /nfs/dbraw/zinc/06/13/72/770061372.db2.gz LJDXIFJLZRXWJB-HUUCEWRRSA-N 1 2 328.441 2.312 20 30 EEEDLO C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cnns2)C1 ZINC001087422597 770061385 /nfs/dbraw/zinc/06/13/85/770061385.db2.gz LJDXIFJLZRXWJB-HUUCEWRRSA-N 1 2 328.441 2.312 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2conc2C)[C@H](C)C1 ZINC000942588775 782808724 /nfs/dbraw/zinc/80/87/24/782808724.db2.gz NJIDJUPFGSRKCX-RNCFNFMXSA-N 1 2 342.237 2.332 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2conc2C)[C@H](C)C1 ZINC000942588775 782808730 /nfs/dbraw/zinc/80/87/30/782808730.db2.gz NJIDJUPFGSRKCX-RNCFNFMXSA-N 1 2 342.237 2.332 20 30 EEEDLO Cc1ncoc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001027807868 770389857 /nfs/dbraw/zinc/38/98/57/770389857.db2.gz GTTCMHKWJVATNY-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ncoc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001027807868 770389870 /nfs/dbraw/zinc/38/98/70/770389870.db2.gz GTTCMHKWJVATNY-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ccn(C)c1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031631877 770481867 /nfs/dbraw/zinc/48/18/67/770481867.db2.gz HBAACDMBFMFUHB-UHFFFAOYSA-N 1 2 339.414 2.186 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nncs3)CC[C@@H]2C1 ZINC001088064474 782841643 /nfs/dbraw/zinc/84/16/43/782841643.db2.gz GVWSVZMOLFMEMS-KGLIPLIRSA-N 1 2 334.489 2.421 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nncs3)CC[C@@H]2C1 ZINC001088064474 782841647 /nfs/dbraw/zinc/84/16/47/782841647.db2.gz GVWSVZMOLFMEMS-KGLIPLIRSA-N 1 2 334.489 2.421 20 30 EEEDLO C[C@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031638350 770527133 /nfs/dbraw/zinc/52/71/33/770527133.db2.gz WATTZEDKXDSUKM-CXAGYDPISA-N 1 2 345.418 2.060 20 30 EEEDLO CC[C@H]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)O1 ZINC001031708562 773521019 /nfs/dbraw/zinc/52/10/19/773521019.db2.gz PTCGSPPARPSJHH-WMZOPIPTSA-N 1 2 345.418 2.203 20 30 EEEDLO C=CCC1(C(=O)N2CCC[C@@H](N3CC[N@@H+](CC)CC3=O)C2)CCCC1 ZINC001131724738 783133855 /nfs/dbraw/zinc/13/38/55/783133855.db2.gz HDOFYQJAMLEYNI-QGZVFWFLSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CCC1(C(=O)N2CCC[C@@H](N3CC[N@H+](CC)CC3=O)C2)CCCC1 ZINC001131724738 783133861 /nfs/dbraw/zinc/13/38/61/783133861.db2.gz HDOFYQJAMLEYNI-QGZVFWFLSA-N 1 2 347.503 2.278 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnc(C(F)(F)F)nc1 ZINC001027952044 774914537 /nfs/dbraw/zinc/91/45/37/774914537.db2.gz XMOQTJHNUQSUAZ-NSHDSACASA-N 1 2 348.756 2.442 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(C(F)(F)F)nc1 ZINC001027952044 774914540 /nfs/dbraw/zinc/91/45/40/774914540.db2.gz XMOQTJHNUQSUAZ-NSHDSACASA-N 1 2 348.756 2.442 20 30 EEEDLO Cc1nc(N2CCC[C@@H]([C@@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)cc[nH+]1 ZINC001060354794 790345998 /nfs/dbraw/zinc/34/59/98/790345998.db2.gz LZLJVODNJJTRAJ-TZMCWYRMSA-N 1 2 338.415 2.020 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C4CC4)o3)C2)C1 ZINC000939102466 775466406 /nfs/dbraw/zinc/46/64/06/775466406.db2.gz IKOSBAKLYFRNQY-TZMCWYRMSA-N 1 2 330.432 2.240 20 30 EEEDLO CO[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1)C1CC1 ZINC000981074966 776480928 /nfs/dbraw/zinc/48/09/28/776480928.db2.gz CBLVBPNOCAYUQV-SFHVURJKSA-N 1 2 327.428 2.018 20 30 EEEDLO CO[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1)C1CC1 ZINC000981074966 776480931 /nfs/dbraw/zinc/48/09/31/776480931.db2.gz CBLVBPNOCAYUQV-SFHVURJKSA-N 1 2 327.428 2.018 20 30 EEEDLO O=C(C#CC1CC1)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000981124000 776596451 /nfs/dbraw/zinc/59/64/51/776596451.db2.gz ALIXRSXCMNYITE-UHFFFAOYSA-N 1 2 327.384 2.043 20 30 EEEDLO O=C(C#CC1CC1)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000981124000 776596458 /nfs/dbraw/zinc/59/64/58/776596458.db2.gz ALIXRSXCMNYITE-UHFFFAOYSA-N 1 2 327.384 2.043 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)nc1 ZINC001060360331 790481934 /nfs/dbraw/zinc/48/19/34/790481934.db2.gz BIZRGYUJPUUVEU-WMLDXEAASA-N 1 2 349.438 2.196 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2cc(OC)no2)cc1 ZINC001028067604 776954335 /nfs/dbraw/zinc/95/43/35/776954335.db2.gz XWVUXQPKGVRUSZ-MRXNPFEDSA-N 1 2 339.395 2.059 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cc(OC)no2)cc1 ZINC001028067604 776954336 /nfs/dbraw/zinc/95/43/36/776954336.db2.gz XWVUXQPKGVRUSZ-MRXNPFEDSA-N 1 2 339.395 2.059 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)CCc2ccncn2)CC1 ZINC000981258623 777001119 /nfs/dbraw/zinc/00/11/19/777001119.db2.gz UUVRURWHDWMJLH-UHFFFAOYSA-N 1 2 349.438 2.015 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCc2ccncn2)CC1 ZINC000981258623 777001125 /nfs/dbraw/zinc/00/11/25/777001125.db2.gz UUVRURWHDWMJLH-UHFFFAOYSA-N 1 2 349.438 2.015 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cccc3nccn32)C1 ZINC001031843526 777208138 /nfs/dbraw/zinc/20/81/38/777208138.db2.gz DITLBGLASILEEM-UHFFFAOYSA-N 1 2 345.406 2.068 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981657787 777923162 /nfs/dbraw/zinc/92/31/62/777923162.db2.gz IJGZLEXRJODBPB-UXHICEINSA-N 1 2 340.467 2.388 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981657787 777923169 /nfs/dbraw/zinc/92/31/69/777923169.db2.gz IJGZLEXRJODBPB-UXHICEINSA-N 1 2 340.467 2.388 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2cncc(OC)n2)CC1 ZINC001028117686 778064494 /nfs/dbraw/zinc/06/44/94/778064494.db2.gz RWPZTOLUOPXXTA-QGZVFWFLSA-N 1 2 344.459 2.312 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cncc(OC)n2)CC1 ZINC001028117686 778064504 /nfs/dbraw/zinc/06/45/04/778064504.db2.gz RWPZTOLUOPXXTA-QGZVFWFLSA-N 1 2 344.459 2.312 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1cscn1)C2 ZINC000982023617 778908401 /nfs/dbraw/zinc/90/84/01/778908401.db2.gz OISMBWDVQMLADW-CVEARBPZSA-N 1 2 347.484 2.159 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1cscn1)C2 ZINC000982023617 778908410 /nfs/dbraw/zinc/90/84/10/778908410.db2.gz OISMBWDVQMLADW-CVEARBPZSA-N 1 2 347.484 2.159 20 30 EEEDLO Cc1nnc([C@@H](C)[N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H](C)C#N)C[C@@]3(C)C2)s1 ZINC000982237108 779362728 /nfs/dbraw/zinc/36/27/28/779362728.db2.gz VTUGOPVFFNTDRQ-HJSHSUPBSA-N 1 2 347.488 2.238 20 30 EEEDLO Cc1nnc([C@@H](C)[N@H+]2C[C@@]3(C)CN(C(=O)[C@@H](C)C#N)C[C@@]3(C)C2)s1 ZINC000982237108 779362735 /nfs/dbraw/zinc/36/27/35/779362735.db2.gz VTUGOPVFFNTDRQ-HJSHSUPBSA-N 1 2 347.488 2.238 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC001028294984 780563229 /nfs/dbraw/zinc/56/32/29/780563229.db2.gz KTKZPNVQUPPGHG-SJORKVTESA-N 1 2 334.847 2.461 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc2CO1 ZINC001028294984 780563238 /nfs/dbraw/zinc/56/32/38/780563238.db2.gz KTKZPNVQUPPGHG-SJORKVTESA-N 1 2 334.847 2.461 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@H](Nc4ccc(C#N)cn4)C3)ccn12 ZINC001058973071 780699308 /nfs/dbraw/zinc/69/93/08/780699308.db2.gz OUYDHBSWYCYRTQ-INIZCTEOSA-N 1 2 346.394 2.236 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1Cc2cccc(F)c2O1 ZINC001028325423 780738977 /nfs/dbraw/zinc/73/89/77/780738977.db2.gz FLEWFNVFWSFKGV-HIFRSBDPSA-N 1 2 338.810 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1Cc2cccc(F)c2O1 ZINC001028325423 780738984 /nfs/dbraw/zinc/73/89/84/780738984.db2.gz FLEWFNVFWSFKGV-HIFRSBDPSA-N 1 2 338.810 2.462 20 30 EEEDLO CCc1c(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)ccn1C ZINC001031979656 781331054 /nfs/dbraw/zinc/33/10/54/781331054.db2.gz LAHPIQYEKKKURW-UHFFFAOYSA-N 1 2 342.468 2.382 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC001075807797 781744232 /nfs/dbraw/zinc/74/42/32/781744232.db2.gz WTCVWHWWYNTATR-JJXSEGSLSA-N 1 2 347.484 2.157 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21 ZINC001075807797 781744234 /nfs/dbraw/zinc/74/42/34/781744234.db2.gz WTCVWHWWYNTATR-JJXSEGSLSA-N 1 2 347.484 2.157 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001033261065 783237259 /nfs/dbraw/zinc/23/72/59/783237259.db2.gz DKZOPZLAXUGTBE-HNNXBMFYSA-N 1 2 332.835 2.391 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001033261065 783237261 /nfs/dbraw/zinc/23/72/61/783237261.db2.gz DKZOPZLAXUGTBE-HNNXBMFYSA-N 1 2 332.835 2.391 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)c2ncc(C)o2)C1 ZINC001032047819 783238430 /nfs/dbraw/zinc/23/84/30/783238430.db2.gz NSXLSTRCJGSQCG-KBMXLJTQSA-N 1 2 333.432 2.073 20 30 EEEDLO O=C(NCCC[NH2+]CC#Cc1ccc(F)cc1)C(F)C(F)(F)F ZINC001158472317 783330701 /nfs/dbraw/zinc/33/07/01/783330701.db2.gz WKXBMINOWZXQDM-ZDUSSCGKSA-N 1 2 334.288 2.174 20 30 EEEDLO 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/nfs/dbraw/zinc/84/63/79/1107846379.db2.gz JIZQDRDYWWIEDE-LBPRGKRZSA-N 1 2 344.419 2.035 20 30 EEEDLO CCC[N@@H+](CCNC(=O)c1cc(C#N)c[nH]1)[C@@H](C)c1nc(CC)no1 ZINC001493282631 1107846390 /nfs/dbraw/zinc/84/63/90/1107846390.db2.gz JIZQDRDYWWIEDE-LBPRGKRZSA-N 1 2 344.419 2.035 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)CCc1cn[nH]c1 ZINC001479252237 1110668698 /nfs/dbraw/zinc/66/86/98/1110668698.db2.gz LOULBBFMLAHRDZ-AWEZNQCLSA-N 1 2 343.456 2.008 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)CCc1cn[nH]c1 ZINC001479252237 1110668699 /nfs/dbraw/zinc/66/86/99/1110668699.db2.gz LOULBBFMLAHRDZ-AWEZNQCLSA-N 1 2 343.456 2.008 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H](OC)C1 ZINC001524347324 1120070421 /nfs/dbraw/zinc/07/04/21/1120070421.db2.gz PQTVTIZVWFFNHD-MRXNPFEDSA-N 1 2 333.480 2.455 20 30 EEEDLO CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000052868442 214152106 /nfs/dbraw/zinc/15/21/06/214152106.db2.gz RRYWGTCFCJQYGO-BBRMVZONSA-N 1 2 344.415 2.096 20 30 EEEDLO CCOC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000052868442 214152109 /nfs/dbraw/zinc/15/21/09/214152109.db2.gz RRYWGTCFCJQYGO-BBRMVZONSA-N 1 2 344.415 2.096 20 30 EEEDLO Cc1noc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000054677158 214251191 /nfs/dbraw/zinc/25/11/91/214251191.db2.gz UMCDXDBQTUXTMR-WFASDCNBSA-N 1 2 339.399 2.456 20 30 EEEDLO Cc1noc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000054677158 214251192 /nfs/dbraw/zinc/25/11/92/214251192.db2.gz UMCDXDBQTUXTMR-WFASDCNBSA-N 1 2 339.399 2.456 20 30 EEEDLO O=C(C[N@@H+]1CCC[C@H]1C(=O)NC1CC1)N1CCC(c2ccccc2)=N1 ZINC000329029696 539765182 /nfs/dbraw/zinc/76/51/82/539765182.db2.gz WSWKMRUZDPITAR-KRWDZBQOSA-N 1 2 340.427 2.206 20 30 EEEDLO O=C(C[N@H+]1CCC[C@H]1C(=O)NC1CC1)N1CCC(c2ccccc2)=N1 ZINC000329029696 539765189 /nfs/dbraw/zinc/76/51/89/539765189.db2.gz WSWKMRUZDPITAR-KRWDZBQOSA-N 1 2 340.427 2.206 20 30 EEEDLO COCCn1cc2c(n1)[C@H](NC(=O)[C@@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000329511152 539775691 /nfs/dbraw/zinc/77/56/91/539775691.db2.gz MWXXHCGTYNJQSL-UKRRQHHQSA-N 1 2 343.431 2.323 20 30 EEEDLO Cc1nc(N2CCN(Cc3cn4ccccc4c3C#N)CC2)cc[nH+]1 ZINC000183776010 235222721 /nfs/dbraw/zinc/22/27/21/235222721.db2.gz KHGZKRNNDBNFSI-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000088524336 237017818 /nfs/dbraw/zinc/01/78/18/237017818.db2.gz SHLNIGNZETVHAG-PKOBYXMFSA-N 1 2 340.471 2.270 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCc2noc(C(C)(C)C)n2)cc1OC ZINC000109061939 237129795 /nfs/dbraw/zinc/12/97/95/237129795.db2.gz YVKVQAXLKLNNSR-UHFFFAOYSA-N 1 2 334.376 2.221 20 30 EEEDLO N#Cc1ccccc1NC(=O)CCCC(=O)NCCCn1cc[nH+]c1 ZINC000133156381 223392712 /nfs/dbraw/zinc/39/27/12/223392712.db2.gz WARXARNGGVJMKD-UHFFFAOYSA-N 1 2 339.399 2.070 20 30 EEEDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)CC(C)(C)CC#N ZINC000451217506 243036632 /nfs/dbraw/zinc/03/66/32/243036632.db2.gz PNLVQNFVEXAAEG-INIZCTEOSA-N 1 2 349.500 2.462 20 30 EEEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)CC(C)(C)CC#N ZINC000451217506 243036635 /nfs/dbraw/zinc/03/66/35/243036635.db2.gz PNLVQNFVEXAAEG-INIZCTEOSA-N 1 2 349.500 2.462 20 30 EEEDLO COc1ccc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)nc1 ZINC000452057603 243338437 /nfs/dbraw/zinc/33/84/37/243338437.db2.gz LUWRIPWAKGDJBP-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455704740 244062372 /nfs/dbraw/zinc/06/23/72/244062372.db2.gz NYHDLYXUOOMQHR-UHFFFAOYSA-N 1 2 336.823 2.202 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000080913853 217339966 /nfs/dbraw/zinc/33/99/66/217339966.db2.gz DXFISXFBGJIJEZ-QGZVFWFLSA-N 1 2 330.428 2.188 20 30 EEEDLO C#C[C@@H](CC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000491675547 246105154 /nfs/dbraw/zinc/10/51/54/246105154.db2.gz UONNKKAWXOHMAS-GOEBONIOSA-N 1 2 326.400 2.229 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000494920247 247037997 /nfs/dbraw/zinc/03/79/97/247037997.db2.gz IXJBZAPHEUEDOL-CLNHLTTHSA-N 1 2 349.500 2.299 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000494920247 247038001 /nfs/dbraw/zinc/03/80/01/247038001.db2.gz IXJBZAPHEUEDOL-CLNHLTTHSA-N 1 2 349.500 2.299 20 30 EEEDLO C=CCc1cc(C[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc(OC)c1O ZINC000093420549 218224820 /nfs/dbraw/zinc/22/48/20/218224820.db2.gz ZEPDSNVYQHOCJY-STQMWFEESA-N 1 2 341.473 2.383 20 30 EEEDLO C=CCc1cc(C[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc(OC)c1O ZINC000093420549 218224822 /nfs/dbraw/zinc/22/48/22/218224822.db2.gz ZEPDSNVYQHOCJY-STQMWFEESA-N 1 2 341.473 2.383 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(F)ccc3O)CC2)cc1 ZINC000267478731 256062672 /nfs/dbraw/zinc/06/26/72/256062672.db2.gz BLAQNVLTHWEPQL-UHFFFAOYSA-N 1 2 339.370 2.361 20 30 EEEDLO C#C[C@@H](CCC)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000491439248 533242848 /nfs/dbraw/zinc/24/28/48/533242848.db2.gz ISOGOPZWFWNNCL-HOTGVXAUSA-N 1 2 348.516 2.138 20 30 EEEDLO N#Cc1ccccc1N1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000068819191 132199703 /nfs/dbraw/zinc/19/97/03/132199703.db2.gz ZDMXSQQIAGRALH-FQEVSTJZSA-N 1 2 346.434 2.486 20 30 EEEDLO C[C@@H]1CCCN1C(=O)CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341810439 161015401 /nfs/dbraw/zinc/01/54/01/161015401.db2.gz OEHBKQUWBQPREM-CRAIPNDOSA-N 1 2 327.428 2.333 20 30 EEEDLO C[C@@H]1CCCN1C(=O)CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341810439 161015402 /nfs/dbraw/zinc/01/54/02/161015402.db2.gz OEHBKQUWBQPREM-CRAIPNDOSA-N 1 2 327.428 2.333 20 30 EEEDLO N#Cc1cc([N+](=O)[O-])cnc1NCc1[nH+]ccn1CC(F)(F)F ZINC000341917148 161024006 /nfs/dbraw/zinc/02/40/06/161024006.db2.gz MGKVLYSQPBRRRR-UHFFFAOYSA-N 1 2 326.238 2.232 20 30 EEEDLO N#Cc1cccc(CCNC(=O)N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000342256204 161051026 /nfs/dbraw/zinc/05/10/26/161051026.db2.gz ZKCSHDPHLUSMPZ-UHFFFAOYSA-N 1 2 349.438 2.023 20 30 EEEDLO N#Cc1c(NCC2([NH+]3CCOCC3)CC2)nc2cc(Cl)ccn21 ZINC000343210631 161113354 /nfs/dbraw/zinc/11/33/54/161113354.db2.gz ZREHFNOHLBGJQP-UHFFFAOYSA-N 1 2 331.807 2.136 20 30 EEEDLO Cc1onc(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1C#N ZINC000354453887 162874010 /nfs/dbraw/zinc/87/40/10/162874010.db2.gz WYYBIOOCOFUXOQ-UHFFFAOYSA-N 1 2 325.303 2.361 20 30 EEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(C#N)s1 ZINC000431903714 270020135 /nfs/dbraw/zinc/02/01/35/270020135.db2.gz VBJQYUOXUUPZJG-UHFFFAOYSA-N 1 2 328.397 2.412 20 30 EEEDLO CC(C)c1ncncc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000298672788 265927552 /nfs/dbraw/zinc/92/75/52/265927552.db2.gz UKDHUULDVIYFBS-UHFFFAOYSA-N 1 2 349.438 2.430 20 30 EEEDLO C[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)N1C ZINC000293468115 267059148 /nfs/dbraw/zinc/05/91/48/267059148.db2.gz QVUQWAPGOHVKLE-RVKKMQEKSA-N 1 2 326.444 2.078 20 30 EEEDLO C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)N1C ZINC000293468115 267059150 /nfs/dbraw/zinc/05/91/50/267059150.db2.gz QVUQWAPGOHVKLE-RVKKMQEKSA-N 1 2 326.444 2.078 20 30 EEEDLO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@@](=O)C1 ZINC000277651428 267235063 /nfs/dbraw/zinc/23/50/63/267235063.db2.gz ZEHLSRFUBVZDNY-LFPIHBKWSA-N 1 2 342.468 2.159 20 30 EEEDLO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@@](=O)C1 ZINC000277651428 267235066 /nfs/dbraw/zinc/23/50/66/267235066.db2.gz ZEHLSRFUBVZDNY-LFPIHBKWSA-N 1 2 342.468 2.159 20 30 EEEDLO N#Cc1ccc(OC2CC[NH+](Cc3cc(=O)c(O)co3)CC2)c(F)c1 ZINC000285627921 268166401 /nfs/dbraw/zinc/16/64/01/268166401.db2.gz YNQPNUYBDJAOFU-UHFFFAOYSA-N 1 2 344.342 2.400 20 30 EEEDLO Cn1cc(C[NH+]2CCN(c3nc(F)c(F)cc3F)CC2)cc1C#N ZINC000277641360 269166550 /nfs/dbraw/zinc/16/65/50/269166550.db2.gz YLKWAMRROJQBEK-UHFFFAOYSA-N 1 2 335.333 2.031 20 30 EEEDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)S1 ZINC000266040572 279905268 /nfs/dbraw/zinc/90/52/68/279905268.db2.gz USCLXAAAVZAIHR-NSHDSACASA-N 1 2 331.401 2.080 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)Cc1[nH+]ccn1C ZINC000536608320 318004080 /nfs/dbraw/zinc/00/40/80/318004080.db2.gz PUVQHOYZARGUIH-NSHDSACASA-N 1 2 343.456 2.301 20 30 EEEDLO CN1CC[N@H+](C)C[C@H]1c1noc(CSCc2ccc(C#N)cc2)n1 ZINC000546503683 318251323 /nfs/dbraw/zinc/25/13/23/318251323.db2.gz PHTYXKWDHMZHPK-HNNXBMFYSA-N 1 2 343.456 2.293 20 30 EEEDLO CN1CC[N@@H+](C)C[C@H]1c1noc(CSCc2ccc(C#N)cc2)n1 ZINC000546503683 318251326 /nfs/dbraw/zinc/25/13/26/318251326.db2.gz PHTYXKWDHMZHPK-HNNXBMFYSA-N 1 2 343.456 2.293 20 30 EEEDLO COC(=O)[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)[C@H]1CCC[C@H](OC)C1 ZINC000572008337 319807067 /nfs/dbraw/zinc/80/70/67/319807067.db2.gz UZLBMIZCIRAPGH-QILLFSRXSA-N 1 2 346.427 2.403 20 30 EEEDLO Cc1cc(N2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc(C#N)n1 ZINC000341415809 465153743 /nfs/dbraw/zinc/15/37/43/465153743.db2.gz GGIKSXDORXFDDB-UHFFFAOYSA-N 1 2 335.411 2.022 20 30 EEEDLO CC[C@@H](C(=O)N(CCC#N)Cc1ccco1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339254971 465169735 /nfs/dbraw/zinc/16/97/35/465169735.db2.gz KVJMHWDUHMLRBX-RDJZCZTQSA-N 1 2 333.432 2.411 20 30 EEEDLO CC[C@@H](C(=O)N(CCC#N)Cc1ccco1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339254971 465169738 /nfs/dbraw/zinc/16/97/38/465169738.db2.gz KVJMHWDUHMLRBX-RDJZCZTQSA-N 1 2 333.432 2.411 20 30 EEEDLO C[C@@H](C(=O)NCC(=O)N(C)C1CCCCC1)[NH+]1CCSCC1 ZINC000328933147 465172096 /nfs/dbraw/zinc/17/20/96/465172096.db2.gz IMMLPRLYNGQKDS-ZDUSSCGKSA-N 1 2 327.494 2.171 20 30 EEEDLO O=C(NCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)NC1CCCCC1 ZINC000328937964 465175465 /nfs/dbraw/zinc/17/54/65/465175465.db2.gz RIKSLQPVUXWVBV-CYBMUJFWSA-N 1 2 333.436 2.238 20 30 EEEDLO C[C@H](NC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000328940253 465175625 /nfs/dbraw/zinc/17/56/25/465175625.db2.gz SJAVTOVSINQUSS-JONQDZQNSA-N 1 2 341.496 2.193 20 30 EEEDLO Cc1cc(NC(=O)C[NH2+][C@@H](c2nc(C)no2)C2CCOCC2)on1 ZINC000328971029 465186521 /nfs/dbraw/zinc/18/65/21/465186521.db2.gz OQVUARUEOISJGT-CQSZACIVSA-N 1 2 335.364 2.020 20 30 EEEDLO CCOc1cccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)n1 ZINC000355193068 465231092 /nfs/dbraw/zinc/23/10/92/465231092.db2.gz DIDHOPSEHNOHAC-XOBRGWDASA-N 1 2 348.406 2.326 20 30 EEEDLO CCOc1cccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)n1 ZINC000355193068 465231098 /nfs/dbraw/zinc/23/10/98/465231098.db2.gz DIDHOPSEHNOHAC-XOBRGWDASA-N 1 2 348.406 2.326 20 30 EEEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc2c1O[C@@H](C)C(=O)N2 ZINC000329123535 465240316 /nfs/dbraw/zinc/24/03/16/465240316.db2.gz XFRYOCNXLKRKQE-RYUDHWBXSA-N 1 2 333.388 2.081 20 30 EEEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cccc2c1O[C@@H](C)C(=O)N2 ZINC000329123535 465240323 /nfs/dbraw/zinc/24/03/23/465240323.db2.gz XFRYOCNXLKRKQE-RYUDHWBXSA-N 1 2 333.388 2.081 20 30 EEEDLO CCCCn1cc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c(C)n1 ZINC000358649486 465241654 /nfs/dbraw/zinc/24/16/54/465241654.db2.gz MBOZIAZXKOKWEM-QGZVFWFLSA-N 1 2 325.416 2.180 20 30 EEEDLO C[C@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)C(=O)NC1(C#N)CCC1 ZINC000337218728 465249968 /nfs/dbraw/zinc/24/99/68/465249968.db2.gz JFAKHUOWGMJEJU-GWCFXTLKSA-N 1 2 339.798 2.053 20 30 EEEDLO CC(C)[C@@H](C(=O)NCc1nncn1C1CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000329179736 465257879 /nfs/dbraw/zinc/25/78/79/465257879.db2.gz NYCMSZFHDUUTFD-IOASZLSFSA-N 1 2 335.452 2.203 20 30 EEEDLO C=CC[C@H](CO)CNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000341861515 465271161 /nfs/dbraw/zinc/27/11/61/465271161.db2.gz XYMMIOMDPSDTLY-KRWDZBQOSA-N 1 2 346.475 2.302 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329225846 465273845 /nfs/dbraw/zinc/27/38/45/465273845.db2.gz GWAKIENXDGATDV-CZUORRHYSA-N 1 2 341.415 2.309 20 30 EEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cnc2c(c1)CCCC2 ZINC000329240520 465277463 /nfs/dbraw/zinc/27/74/63/465277463.db2.gz MTLHHBBQFUFJIE-YOEHRIQHSA-N 1 2 344.459 2.301 20 30 EEEDLO Cc1ccc2[nH+]c(CNC(=O)c3ncc(C#N)cc3Cl)cn2c1 ZINC000358772481 465313204 /nfs/dbraw/zinc/31/32/04/465313204.db2.gz XXLKDSSGYAVBEX-UHFFFAOYSA-N 1 2 325.759 2.493 20 30 EEEDLO CN(C)c1[nH+]cccc1CNC(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000060401691 462546121 /nfs/dbraw/zinc/54/61/21/462546121.db2.gz PDHRYNASQBJUMU-JXMROGBWSA-N 1 2 336.395 2.380 20 30 EEEDLO C=CCC[C@H](O)C[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000128469432 462642583 /nfs/dbraw/zinc/64/25/83/462642583.db2.gz UGXUCNYWUKWKGC-AWEZNQCLSA-N 1 2 327.808 2.348 20 30 EEEDLO C[C@@H](C#N)CN(C)CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000064796646 462720952 /nfs/dbraw/zinc/72/09/52/462720952.db2.gz CAYWIIWPISPANI-HNNXBMFYSA-N 1 2 348.878 2.076 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000089905287 462738943 /nfs/dbraw/zinc/73/89/43/462738943.db2.gz NCJVWHOVGNLPHQ-SNVBAGLBSA-N 1 2 333.251 2.235 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000089905287 462738949 /nfs/dbraw/zinc/73/89/49/462738949.db2.gz NCJVWHOVGNLPHQ-SNVBAGLBSA-N 1 2 333.251 2.235 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000130168562 462743450 /nfs/dbraw/zinc/74/34/50/462743450.db2.gz GTFSYNRRNSWOAX-CQSZACIVSA-N 1 2 326.437 2.067 20 30 EEEDLO C=CC[N@H+](Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000130168562 462743453 /nfs/dbraw/zinc/74/34/53/462743453.db2.gz GTFSYNRRNSWOAX-CQSZACIVSA-N 1 2 326.437 2.067 20 30 EEEDLO C#CCCCCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000119380963 462896282 /nfs/dbraw/zinc/89/62/82/462896282.db2.gz HMOZXZZPZQTRLZ-LJQANCHMSA-N 1 2 343.471 2.471 20 30 EEEDLO CC(C)CO[C@@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000119795347 462927917 /nfs/dbraw/zinc/92/79/17/462927917.db2.gz JIFCZNQHSZXBPV-HUUCEWRRSA-N 1 2 333.457 2.472 20 30 EEEDLO CC(C)CO[C@@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000119795347 462927920 /nfs/dbraw/zinc/92/79/20/462927920.db2.gz JIFCZNQHSZXBPV-HUUCEWRRSA-N 1 2 333.457 2.472 20 30 EEEDLO C#C[C@H](C)N(C)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000491278591 468340157 /nfs/dbraw/zinc/34/01/57/468340157.db2.gz UJCCMEZSLUXXKE-FUHWJXTLSA-N 1 2 329.444 2.031 20 30 EEEDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)S1 ZINC000157738376 463164774 /nfs/dbraw/zinc/16/47/74/463164774.db2.gz WWRDWTBNRIQATL-NSHDSACASA-N 1 2 331.401 2.080 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cccc(NC(C)=O)c2)n1 ZINC000491288090 468341787 /nfs/dbraw/zinc/34/17/87/468341787.db2.gz PTHXIQWCYWTLLI-UHFFFAOYSA-N 1 2 340.427 2.123 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cccc(NC(C)=O)c2)n1 ZINC000491288090 468341792 /nfs/dbraw/zinc/34/17/92/468341792.db2.gz PTHXIQWCYWTLLI-UHFFFAOYSA-N 1 2 340.427 2.123 20 30 EEEDLO O=C([C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)N1CCSCC1 ZINC000158164679 463212003 /nfs/dbraw/zinc/21/20/03/463212003.db2.gz FTBHGODUDUGEQZ-QGZVFWFLSA-N 1 2 332.444 2.217 20 30 EEEDLO O=C([C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)N1CCSCC1 ZINC000158164679 463212005 /nfs/dbraw/zinc/21/20/05/463212005.db2.gz FTBHGODUDUGEQZ-QGZVFWFLSA-N 1 2 332.444 2.217 20 30 EEEDLO CN(C)C(=O)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000097032625 463305709 /nfs/dbraw/zinc/30/57/09/463305709.db2.gz AQLNAWGPCFPWAC-UHFFFAOYSA-N 1 2 330.432 2.168 20 30 EEEDLO CCCS(=O)(=O)CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104716241 463418848 /nfs/dbraw/zinc/41/88/48/463418848.db2.gz ZRRFRDMWGUCXIJ-UHFFFAOYSA-N 1 2 336.457 2.226 20 30 EEEDLO COc1cccc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000081512277 463451027 /nfs/dbraw/zinc/45/10/27/463451027.db2.gz WQZXEYSDRMWHCE-UHFFFAOYSA-N 1 2 344.436 2.473 20 30 EEEDLO COc1cccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000081512277 463451031 /nfs/dbraw/zinc/45/10/31/463451031.db2.gz WQZXEYSDRMWHCE-UHFFFAOYSA-N 1 2 344.436 2.473 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000071909013 463467652 /nfs/dbraw/zinc/46/76/52/463467652.db2.gz JIGDDVZZPLEKIX-MOPGFXCFSA-N 1 2 340.471 2.348 20 30 EEEDLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000071921312 463474312 /nfs/dbraw/zinc/47/43/12/463474312.db2.gz AMTDIDQDPUHVNA-GJZGRUSLSA-N 1 2 335.448 2.135 20 30 EEEDLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000071921312 463474318 /nfs/dbraw/zinc/47/43/18/463474318.db2.gz AMTDIDQDPUHVNA-GJZGRUSLSA-N 1 2 335.448 2.135 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000329742053 465420756 /nfs/dbraw/zinc/42/07/56/465420756.db2.gz WHOIHOACXIBLDM-KCXAZCMYSA-N 1 2 330.432 2.215 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000329742053 465420761 /nfs/dbraw/zinc/42/07/61/465420761.db2.gz WHOIHOACXIBLDM-KCXAZCMYSA-N 1 2 330.432 2.215 20 30 EEEDLO COc1cccc(OCC[NH+]2CCN(CCCSCC#N)CC2)c1 ZINC000164511580 463625191 /nfs/dbraw/zinc/62/51/91/463625191.db2.gz KCMFJLCHPKFIMU-UHFFFAOYSA-N 1 2 349.500 2.338 20 30 EEEDLO N#CCCCCNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000170887455 463733412 /nfs/dbraw/zinc/73/34/12/463733412.db2.gz KEXVXUBUMONWRH-UHFFFAOYSA-N 1 2 330.432 2.086 20 30 EEEDLO C[C@H]1OCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000276747072 463742004 /nfs/dbraw/zinc/74/20/04/463742004.db2.gz XJJBPEDCRFLRCY-QAPCUYQASA-N 1 2 327.428 2.018 20 30 EEEDLO C#CCC(C)(C)C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000185064792 463745605 /nfs/dbraw/zinc/74/56/05/463745605.db2.gz JSNADYKGFOBZPU-UHFFFAOYSA-N 1 2 344.455 2.398 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000185257358 463788434 /nfs/dbraw/zinc/78/84/34/463788434.db2.gz FZSCVSIHGODVNV-NEPJUHHUSA-N 1 2 349.435 2.168 20 30 EEEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CC(C)(C)C#N)c2)CC1 ZINC000278846681 463997981 /nfs/dbraw/zinc/99/79/81/463997981.db2.gz SBSNTGPCRXQKFJ-UHFFFAOYSA-N 1 2 342.443 2.229 20 30 EEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(F)c(C#N)c1 ZINC000278873505 464006043 /nfs/dbraw/zinc/00/60/43/464006043.db2.gz NFOCYOYIXWIPCY-UHFFFAOYSA-N 1 2 340.358 2.490 20 30 EEEDLO COC(=O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000269665805 464052093 /nfs/dbraw/zinc/05/20/93/464052093.db2.gz QAIDXZQWEXJPPS-CYBMUJFWSA-N 1 2 347.440 2.268 20 30 EEEDLO COC(=O)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000269665805 464052097 /nfs/dbraw/zinc/05/20/97/464052097.db2.gz QAIDXZQWEXJPPS-CYBMUJFWSA-N 1 2 347.440 2.268 20 30 EEEDLO C=CCOc1ccc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1OC ZINC000279258839 464081840 /nfs/dbraw/zinc/08/18/40/464081840.db2.gz IBBUMYSCJYLGAR-HNNXBMFYSA-N 1 2 348.443 2.053 20 30 EEEDLO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCC(CC#N)CC1 ZINC000542882781 468390478 /nfs/dbraw/zinc/39/04/78/468390478.db2.gz GOIKIBKBSGXRCH-ZDUSSCGKSA-N 1 2 337.431 2.306 20 30 EEEDLO Cc1cnn([C@H]2CC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)c1 ZINC000289699921 464091778 /nfs/dbraw/zinc/09/17/78/464091778.db2.gz BSHWBDMDCOSLGW-LSDHHAIUSA-N 1 2 341.440 2.177 20 30 EEEDLO Cc1cnn([C@H]2CC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)c1 ZINC000289699921 464091784 /nfs/dbraw/zinc/09/17/84/464091784.db2.gz BSHWBDMDCOSLGW-LSDHHAIUSA-N 1 2 341.440 2.177 20 30 EEEDLO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@H]1[C@@H]1CCCO1 ZINC000289871820 464099257 /nfs/dbraw/zinc/09/92/57/464099257.db2.gz RIDFEBZPHRIYDF-IRXDYDNUSA-N 1 2 348.468 2.221 20 30 EEEDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@H]1[C@@H]1CCCO1 ZINC000289871820 464099263 /nfs/dbraw/zinc/09/92/63/464099263.db2.gz RIDFEBZPHRIYDF-IRXDYDNUSA-N 1 2 348.468 2.221 20 30 EEEDLO C#Cc1cccc(N(CC)C(=O)C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000172769244 464141148 /nfs/dbraw/zinc/14/11/48/464141148.db2.gz REUMFMZVRUEVDB-UHFFFAOYSA-N 1 2 348.450 2.238 20 30 EEEDLO CCc1nn(C)cc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000179888435 464203318 /nfs/dbraw/zinc/20/33/18/464203318.db2.gz ZTIPVYUOWNUBRQ-UHFFFAOYSA-N 1 2 327.407 2.315 20 30 EEEDLO NC(=[NH+]OCCOc1ccccc1Br)[C@@H]1CCCO1 ZINC000284579765 464251473 /nfs/dbraw/zinc/25/14/73/464251473.db2.gz XHGMOIYZLJEADD-LBPRGKRZSA-N 1 2 329.194 2.296 20 30 EEEDLO C#CC[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000270458052 464255823 /nfs/dbraw/zinc/25/58/23/464255823.db2.gz TWVYFGRBSXTYKA-NUJGCVRESA-N 1 2 329.444 2.159 20 30 EEEDLO Cn1cc(C[N@@H+]2CCC[C@H]2c2nncn2C)c(-c2ccc(C#N)cc2)n1 ZINC000180227858 464269540 /nfs/dbraw/zinc/26/95/40/464269540.db2.gz OOPVCEGGYXNGBO-KRWDZBQOSA-N 1 2 347.426 2.424 20 30 EEEDLO Cn1cc(C[N@H+]2CCC[C@H]2c2nncn2C)c(-c2ccc(C#N)cc2)n1 ZINC000180227858 464269543 /nfs/dbraw/zinc/26/95/43/464269543.db2.gz OOPVCEGGYXNGBO-KRWDZBQOSA-N 1 2 347.426 2.424 20 30 EEEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCSC[C@@H]1C#N ZINC000281049718 464313433 /nfs/dbraw/zinc/31/34/33/464313433.db2.gz BICSKGZZGXKPPN-JTQLQIEISA-N 1 2 336.367 2.091 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000284929770 464397873 /nfs/dbraw/zinc/39/78/73/464397873.db2.gz YFGDZZGFSFFUAB-QUCCMNQESA-N 1 2 341.499 2.434 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000284929770 464397874 /nfs/dbraw/zinc/39/78/74/464397874.db2.gz YFGDZZGFSFFUAB-QUCCMNQESA-N 1 2 341.499 2.434 20 30 EEEDLO C=CCNC(=O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000181127066 464448714 /nfs/dbraw/zinc/44/87/14/464448714.db2.gz KWVTUCFMGIYESJ-UHFFFAOYSA-N 1 2 332.385 2.110 20 30 EEEDLO C#CCO[C@@H](C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000294600672 464549103 /nfs/dbraw/zinc/54/91/03/464549103.db2.gz WJELSWWEOWIPMB-XHSDSOJGSA-N 1 2 330.428 2.273 20 30 EEEDLO C#CCO[C@@H](C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000294600672 464549109 /nfs/dbraw/zinc/54/91/09/464549109.db2.gz WJELSWWEOWIPMB-XHSDSOJGSA-N 1 2 330.428 2.273 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285457746 464571395 /nfs/dbraw/zinc/57/13/95/464571395.db2.gz JOVCRFGBNDCPTA-ZDUSSCGKSA-N 1 2 337.379 2.485 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285457746 464571399 /nfs/dbraw/zinc/57/13/99/464571399.db2.gz JOVCRFGBNDCPTA-ZDUSSCGKSA-N 1 2 337.379 2.485 20 30 EEEDLO COC(=O)[C@]1(F)CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000272347468 464573676 /nfs/dbraw/zinc/57/36/76/464573676.db2.gz CPXVKKNGGCNUBO-SFHVURJKSA-N 1 2 342.374 2.046 20 30 EEEDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000272347468 464573679 /nfs/dbraw/zinc/57/36/79/464573679.db2.gz CPXVKKNGGCNUBO-SFHVURJKSA-N 1 2 342.374 2.046 20 30 EEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000285620147 464630192 /nfs/dbraw/zinc/63/01/92/464630192.db2.gz CMRQCXGTFOYCNR-MAUKXSAKSA-N 1 2 341.455 2.423 20 30 EEEDLO N#CC1(CCC[N@H+]2CCNC(=O)[C@@H]2c2ccccc2)CCOCC1 ZINC000282112595 464701313 /nfs/dbraw/zinc/70/13/13/464701313.db2.gz XCQHNGYKMASDJG-KRWDZBQOSA-N 1 2 327.428 2.260 20 30 EEEDLO N#CC1(CCC[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2)CCOCC1 ZINC000282112595 464701316 /nfs/dbraw/zinc/70/13/16/464701316.db2.gz XCQHNGYKMASDJG-KRWDZBQOSA-N 1 2 327.428 2.260 20 30 EEEDLO COc1cccc(C(N)=[NH+]OCC(=O)N2CCCc3ccccc32)c1 ZINC000266216193 464768509 /nfs/dbraw/zinc/76/85/09/464768509.db2.gz PUTZXCMGBWZMSE-UHFFFAOYSA-N 1 2 339.395 2.312 20 30 EEEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@H](C)C(=O)N1CCc2ccccc21 ZINC000266212989 464769628 /nfs/dbraw/zinc/76/96/28/464769628.db2.gz OZHIVCCHNJDOAB-ZIAGYGMSSA-N 1 2 333.432 2.314 20 30 EEEDLO C#CCCOc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000295285466 464774275 /nfs/dbraw/zinc/77/42/75/464774275.db2.gz JFCWJCGKKJQLII-KRWDZBQOSA-N 1 2 335.407 2.492 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2Cc2ccc(F)c(C#N)c2)O1 ZINC000282396256 464802816 /nfs/dbraw/zinc/80/28/16/464802816.db2.gz HHTQXQPOUQVRNQ-QYHDQYMBSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2Cc2ccc(F)c(C#N)c2)O1 ZINC000282396256 464802821 /nfs/dbraw/zinc/80/28/21/464802821.db2.gz HHTQXQPOUQVRNQ-QYHDQYMBSA-N 1 2 332.375 2.381 20 30 EEEDLO N#CCN1CC[NH+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000183320000 464849342 /nfs/dbraw/zinc/84/93/42/464849342.db2.gz FCSLULJMQKATJH-UHFFFAOYSA-N 1 2 331.313 2.408 20 30 EEEDLO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc(-c2nc[nH]n2)no1 ZINC000192184591 464882227 /nfs/dbraw/zinc/88/22/27/464882227.db2.gz XLLJTJBFKHEMNL-CYBMUJFWSA-N 1 2 341.350 2.352 20 30 EEEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)S1 ZINC000286384366 464900381 /nfs/dbraw/zinc/90/03/81/464900381.db2.gz IOVSZILXGCBVJJ-UHFFFAOYSA-N 1 2 346.431 2.337 20 30 EEEDLO COC(=O)c1cc(CO[NH+]=C(N)c2ccc(OC)c(OC)c2)oc1C ZINC000298754634 465495010 /nfs/dbraw/zinc/49/50/10/465495010.db2.gz NXGOTJJQXKXKKA-UHFFFAOYSA-N 1 2 348.355 2.229 20 30 EEEDLO Cc1ccccc1CC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000295700122 464933586 /nfs/dbraw/zinc/93/35/86/464933586.db2.gz MIVPROAHQCDGIH-UHFFFAOYSA-N 1 2 343.452 2.210 20 30 EEEDLO Cc1ccccc1CC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000295700122 464933593 /nfs/dbraw/zinc/93/35/93/464933593.db2.gz MIVPROAHQCDGIH-UHFFFAOYSA-N 1 2 343.452 2.210 20 30 EEEDLO COCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)N(C)C ZINC000177175333 464951102 /nfs/dbraw/zinc/95/11/02/464951102.db2.gz ADZCFLDHUMGVKB-UHFFFAOYSA-N 1 2 342.361 2.094 20 30 EEEDLO COCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)N(C)C ZINC000177175333 464951105 /nfs/dbraw/zinc/95/11/05/464951105.db2.gz ADZCFLDHUMGVKB-UHFFFAOYSA-N 1 2 342.361 2.094 20 30 EEEDLO CCS(=O)(=O)CCCCCO[NH+]=C(N)COc1ccccc1F ZINC000276568033 464983666 /nfs/dbraw/zinc/98/36/66/464983666.db2.gz NPAJKEUYDJJESL-UHFFFAOYSA-N 1 2 346.424 2.098 20 30 EEEDLO N#C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCN1Cc1ccccc1 ZINC000548086080 468428830 /nfs/dbraw/zinc/42/88/30/468428830.db2.gz NWARHVWTECXCCY-IAGOWNOFSA-N 1 2 349.438 2.066 20 30 EEEDLO C[C@H](C(=O)NCC[C@@H]1c2ccccc2NC1=O)[NH+]1CCN(C)CC1 ZINC000329416187 465326318 /nfs/dbraw/zinc/32/63/18/465326318.db2.gz FPSDNAULLFMZNF-UKRRQHHQSA-N 1 2 330.432 2.354 20 30 EEEDLO O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329448734 465336560 /nfs/dbraw/zinc/33/65/60/465336560.db2.gz MMHKXUSWIIFQKN-CVEARBPZSA-N 1 2 346.427 2.426 20 30 EEEDLO O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329448734 465336563 /nfs/dbraw/zinc/33/65/63/465336563.db2.gz MMHKXUSWIIFQKN-CVEARBPZSA-N 1 2 346.427 2.426 20 30 EEEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c1 ZINC000329571684 465374532 /nfs/dbraw/zinc/37/45/32/465374532.db2.gz QULAWESUAUHYOX-NUEKZKHPSA-N 1 2 326.400 2.335 20 30 EEEDLO C[C@]1(C[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)OCCc2sccc21 ZINC000329634086 465393037 /nfs/dbraw/zinc/39/30/37/465393037.db2.gz WZMGINKRYCBJCQ-SJKOYZFVSA-N 1 2 346.456 2.251 20 30 EEEDLO C[C@]1(CNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)OCCc2sccc21 ZINC000329634086 465393043 /nfs/dbraw/zinc/39/30/43/465393043.db2.gz WZMGINKRYCBJCQ-SJKOYZFVSA-N 1 2 346.456 2.251 20 30 EEEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@](CO)(C(C)C)C2)c(C#N)c1C ZINC000339706191 465457800 /nfs/dbraw/zinc/45/78/00/465457800.db2.gz FHOXMVADEHGAOU-SFHVURJKSA-N 1 2 333.432 2.437 20 30 EEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@](CO)(C(C)C)C2)c(C#N)c1C ZINC000339706191 465457806 /nfs/dbraw/zinc/45/78/06/465457806.db2.gz FHOXMVADEHGAOU-SFHVURJKSA-N 1 2 333.432 2.437 20 30 EEEDLO Cc1c(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)nnn1CC1CCCC1 ZINC000329877259 465459674 /nfs/dbraw/zinc/45/96/74/465459674.db2.gz JBFRWLONTANWSJ-KGLIPLIRSA-N 1 2 349.479 2.191 20 30 EEEDLO N#Cc1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1O ZINC000356656810 465475494 /nfs/dbraw/zinc/47/54/94/465475494.db2.gz YCZDMOJJLBDTCH-UHFFFAOYSA-N 1 2 332.363 2.439 20 30 EEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccccc3OC(F)(F)F)C[C@H]21 ZINC000329959952 465488133 /nfs/dbraw/zinc/48/81/33/465488133.db2.gz NPULVDWCVZMFCU-DGCLKSJQSA-N 1 2 345.321 2.146 20 30 EEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccccc3OC(F)(F)F)C[C@H]21 ZINC000329959952 465488137 /nfs/dbraw/zinc/48/81/37/465488137.db2.gz NPULVDWCVZMFCU-DGCLKSJQSA-N 1 2 345.321 2.146 20 30 EEEDLO CC(C)n1cc2cc(NC(=O)NC[C@H]3C[N@H+](C)CCO3)ccc2n1 ZINC000330033735 465512662 /nfs/dbraw/zinc/51/26/62/465512662.db2.gz VULKSHJTXVITFX-HNNXBMFYSA-N 1 2 331.420 2.274 20 30 EEEDLO CC(C)n1cc2cc(NC(=O)NC[C@H]3C[N@@H+](C)CCO3)ccc2n1 ZINC000330033735 465512667 /nfs/dbraw/zinc/51/26/67/465512667.db2.gz VULKSHJTXVITFX-HNNXBMFYSA-N 1 2 331.420 2.274 20 30 EEEDLO Cc1cccc(OCCNC(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352484853 465533174 /nfs/dbraw/zinc/53/31/74/465533174.db2.gz UXCUSIYCNVPSMY-OAHLLOKOSA-N 1 2 333.407 2.206 20 30 EEEDLO O=C(Nc1cc2c(cc1F)NC(=O)CC2)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330328810 465614231 /nfs/dbraw/zinc/61/42/31/465614231.db2.gz LYYAQTAALTYIIE-NSHDSACASA-N 1 2 343.362 2.248 20 30 EEEDLO C=CCCOCCCCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000337889628 465658175 /nfs/dbraw/zinc/65/81/75/465658175.db2.gz GMNIPXYAPBIWOT-UHFFFAOYSA-N 1 2 331.460 2.489 20 30 EEEDLO O=C(NCC#Cc1cccc(F)c1)NCCc1cn2ccccc2[nH+]1 ZINC000338003077 465742603 /nfs/dbraw/zinc/74/26/03/465742603.db2.gz WRFBQJIRVGIDFI-UHFFFAOYSA-N 1 2 336.370 2.367 20 30 EEEDLO O=C(NCC#Cc1cccc(F)c1)NCc1cn2c([nH+]1)CCCC2 ZINC000338093006 465813850 /nfs/dbraw/zinc/81/38/50/465813850.db2.gz YTRUPRJIVGBVTL-UHFFFAOYSA-N 1 2 326.375 2.209 20 30 EEEDLO CC(C)(C)Oc1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)n1 ZINC000348951831 465887308 /nfs/dbraw/zinc/88/73/08/465887308.db2.gz WZBXHZOGCYEATD-QGZVFWFLSA-N 1 2 338.411 2.447 20 30 EEEDLO CC[C@H](NC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1)c1[nH]cc[nH+]1 ZINC000331019021 465898154 /nfs/dbraw/zinc/89/81/54/465898154.db2.gz ZTBQNZMLMZNFHL-KBPBESRZSA-N 1 2 335.452 2.259 20 30 EEEDLO COc1cc(C[N@@H+]2CCN(C(=O)N(C)C)CC2(C)C)ccc1C#N ZINC000331279450 466008693 /nfs/dbraw/zinc/00/86/93/466008693.db2.gz PZFXARLVGBWACS-UHFFFAOYSA-N 1 2 330.432 2.145 20 30 EEEDLO COc1cc(C[N@H+]2CCN(C(=O)N(C)C)CC2(C)C)ccc1C#N ZINC000331279450 466008697 /nfs/dbraw/zinc/00/86/97/466008697.db2.gz PZFXARLVGBWACS-UHFFFAOYSA-N 1 2 330.432 2.145 20 30 EEEDLO C=C(C)CN(Cc1ccccc1)C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000357457574 466053473 /nfs/dbraw/zinc/05/34/73/466053473.db2.gz OVOZXBJLAXFUHM-UHFFFAOYSA-N 1 2 331.460 2.048 20 30 EEEDLO C=C(C)CN(Cc1ccccc1)C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000357457574 466053477 /nfs/dbraw/zinc/05/34/77/466053477.db2.gz OVOZXBJLAXFUHM-UHFFFAOYSA-N 1 2 331.460 2.048 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361557872 466099246 /nfs/dbraw/zinc/09/92/46/466099246.db2.gz DTOOQXCDGTXONJ-CQSZACIVSA-N 1 2 327.428 2.248 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361557872 466099250 /nfs/dbraw/zinc/09/92/50/466099250.db2.gz DTOOQXCDGTXONJ-CQSZACIVSA-N 1 2 327.428 2.248 20 30 EEEDLO C[C@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC#Cc1cccc(F)c1 ZINC000346601915 466115268 /nfs/dbraw/zinc/11/52/68/466115268.db2.gz CKTLJOQXJIYMHK-MAUKXSAKSA-N 1 2 337.398 2.461 20 30 EEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000331837820 466266575 /nfs/dbraw/zinc/26/65/75/466266575.db2.gz CKFBVYSHXMUIPB-UKRRQHHQSA-N 1 2 329.404 2.040 20 30 EEEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000370369012 466852173 /nfs/dbraw/zinc/85/21/73/466852173.db2.gz ZDBCTHOPXFODRD-MSOLQXFVSA-N 1 2 345.443 2.189 20 30 EEEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000370369012 466852176 /nfs/dbraw/zinc/85/21/76/466852176.db2.gz ZDBCTHOPXFODRD-MSOLQXFVSA-N 1 2 345.443 2.189 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000411767573 466897540 /nfs/dbraw/zinc/89/75/40/466897540.db2.gz FYRNDNWBDCCCTA-LJQANCHMSA-N 1 2 330.428 2.226 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000411767573 466897543 /nfs/dbraw/zinc/89/75/43/466897543.db2.gz FYRNDNWBDCCCTA-LJQANCHMSA-N 1 2 330.428 2.226 20 30 EEEDLO C[C@]1(C(=O)N(CCC#N)CC[NH+]2CCOCC2)C[C@@H]1c1ccccc1 ZINC000412137815 467023142 /nfs/dbraw/zinc/02/31/42/467023142.db2.gz XEKUYGUOZDHVJD-QUCCMNQESA-N 1 2 341.455 2.255 20 30 EEEDLO C=CCC1(C(=O)N2CC[NH+](Cc3cccnc3)CC2)CCOCC1 ZINC000424554382 467067451 /nfs/dbraw/zinc/06/74/51/467067451.db2.gz BTEQIDKLLNVPRN-UHFFFAOYSA-N 1 2 329.444 2.099 20 30 EEEDLO C=CCn1c(SCC[N@H+]2CCOC[C@H]2C)nnc1-c1cccnc1 ZINC000412984318 467152836 /nfs/dbraw/zinc/15/28/36/467152836.db2.gz BTXDOGIPIQYADI-CQSZACIVSA-N 1 2 345.472 2.339 20 30 EEEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@H]2C)nnc1-c1cccnc1 ZINC000412984318 467152840 /nfs/dbraw/zinc/15/28/40/467152840.db2.gz BTXDOGIPIQYADI-CQSZACIVSA-N 1 2 345.472 2.339 20 30 EEEDLO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+](C)CC(C)(C)C#N ZINC000433299702 467315706 /nfs/dbraw/zinc/31/57/06/467315706.db2.gz CMAFKKYWDMNCGQ-INIZCTEOSA-N 1 2 328.460 2.205 20 30 EEEDLO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+](C)CC(C)(C)C#N ZINC000433299702 467315709 /nfs/dbraw/zinc/31/57/09/467315709.db2.gz CMAFKKYWDMNCGQ-INIZCTEOSA-N 1 2 328.460 2.205 20 30 EEEDLO C[N@H+](Cc1ccc(C#N)cc1Br)[C@H]1CCCCNC1=O ZINC000378484518 467318526 /nfs/dbraw/zinc/31/85/26/467318526.db2.gz LVQWGNOHWUMXBZ-AWEZNQCLSA-N 1 2 336.233 2.421 20 30 EEEDLO C[N@@H+](Cc1ccc(C#N)cc1Br)[C@H]1CCCCNC1=O ZINC000378484518 467318530 /nfs/dbraw/zinc/31/85/30/467318530.db2.gz LVQWGNOHWUMXBZ-AWEZNQCLSA-N 1 2 336.233 2.421 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(-c2noc(C3CC3)n2)cc1 ZINC000414141778 467383284 /nfs/dbraw/zinc/38/32/84/467383284.db2.gz HNWVOWXMHIISIM-OAHLLOKOSA-N 1 2 342.399 2.199 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(-c2noc(C3CC3)n2)cc1 ZINC000414141778 467383290 /nfs/dbraw/zinc/38/32/90/467383290.db2.gz HNWVOWXMHIISIM-OAHLLOKOSA-N 1 2 342.399 2.199 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc([N+](=O)[O-])c2ccccc12 ZINC000414153223 467384523 /nfs/dbraw/zinc/38/45/23/467384523.db2.gz YAWHLYZNMGTISU-CYBMUJFWSA-N 1 2 329.356 2.333 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc([N+](=O)[O-])c2ccccc12 ZINC000414153223 467384527 /nfs/dbraw/zinc/38/45/27/467384527.db2.gz YAWHLYZNMGTISU-CYBMUJFWSA-N 1 2 329.356 2.333 20 30 EEEDLO N#CCCC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000399450723 467453973 /nfs/dbraw/zinc/45/39/73/467453973.db2.gz XYHXTQALJNXRNO-UHFFFAOYSA-N 1 2 331.441 2.348 20 30 EEEDLO N#Cc1ccc(C(=O)NCCNc2ccc3ccccc3[nH+]2)cc1O ZINC000442962508 467578291 /nfs/dbraw/zinc/57/82/91/467578291.db2.gz CGYXIIFJWWHEJD-UHFFFAOYSA-N 1 2 332.363 2.654 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000457586280 467657015 /nfs/dbraw/zinc/65/70/15/467657015.db2.gz TVGLGTWORPQVMR-CVEARBPZSA-N 1 2 346.406 2.275 20 30 EEEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000492674973 467710022 /nfs/dbraw/zinc/71/00/22/467710022.db2.gz KNKPUKIXVCODDC-XDWWLABZSA-N 1 2 328.416 2.370 20 30 EEEDLO CC(C)(C)[C@@H](C#N)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450117469 467780042 /nfs/dbraw/zinc/78/00/42/467780042.db2.gz TVQGKBDZGIUNMS-CQSZACIVSA-N 1 2 327.344 2.449 20 30 EEEDLO C[NH+](C)Cc1csc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)n1 ZINC000457309405 467799246 /nfs/dbraw/zinc/79/92/46/467799246.db2.gz ICJRNFGSPBMNDX-CQSZACIVSA-N 1 2 339.424 2.397 20 30 EEEDLO COC(=O)c1ccc(NCc2cc[nH+]c(N3CCCC3)c2)c(C#N)n1 ZINC000515311343 467985426 /nfs/dbraw/zinc/98/54/26/467985426.db2.gz HXCBFOKMTOICQM-UHFFFAOYSA-N 1 2 337.383 2.347 20 30 EEEDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000494059122 468022738 /nfs/dbraw/zinc/02/27/38/468022738.db2.gz PGOTZRYZJAVIJF-AWEZNQCLSA-N 1 2 345.399 2.055 20 30 EEEDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000494059122 468022739 /nfs/dbraw/zinc/02/27/39/468022739.db2.gz PGOTZRYZJAVIJF-AWEZNQCLSA-N 1 2 345.399 2.055 20 30 EEEDLO Cc1nsc(N2CC[NH+](Cc3ccc(N(C)C)nc3)CC2)c1C#N ZINC000589520784 468159281 /nfs/dbraw/zinc/15/92/81/468159281.db2.gz YAQORSNAXJNWGC-UHFFFAOYSA-N 1 2 342.472 2.106 20 30 EEEDLO C=CCn1c(CC2CC2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000548937823 468160888 /nfs/dbraw/zinc/16/08/88/468160888.db2.gz DGZADZCDXSHVIX-UHFFFAOYSA-N 1 2 338.459 2.134 20 30 EEEDLO CCc1cc(N)nc(SCc2cccc(C(=O)OC)c2C#N)[nH+]1 ZINC000576580635 468168814 /nfs/dbraw/zinc/16/88/14/468168814.db2.gz ZOXGYSLCKOVQGG-UHFFFAOYSA-N 1 2 328.397 2.572 20 30 EEEDLO N#Cc1cc2c(nc1NCc1ccc(N3CCCC3)[nH+]c1)CCOC2 ZINC000577261226 468181732 /nfs/dbraw/zinc/18/17/32/468181732.db2.gz LHAONNSLDGDROW-UHFFFAOYSA-N 1 2 335.411 2.633 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(Oc2ccccn2)c1 ZINC000578165346 468199722 /nfs/dbraw/zinc/19/97/22/468199722.db2.gz MQCZQQFKYMMNEK-OAHLLOKOSA-N 1 2 327.384 2.459 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(Oc2ccccn2)c1 ZINC000578165346 468199726 /nfs/dbraw/zinc/19/97/26/468199726.db2.gz MQCZQQFKYMMNEK-OAHLLOKOSA-N 1 2 327.384 2.459 20 30 EEEDLO N#CC1(CC(=O)NC[C@@H]2CCC[N@H+](Cc3ncon3)C2)CCCCC1 ZINC000597639903 468623262 /nfs/dbraw/zinc/62/32/62/468623262.db2.gz HDVJFECAIUPBHP-HNNXBMFYSA-N 1 2 345.447 2.262 20 30 EEEDLO N#CC1(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3ncon3)C2)CCCCC1 ZINC000597639903 468623268 /nfs/dbraw/zinc/62/32/68/468623268.db2.gz HDVJFECAIUPBHP-HNNXBMFYSA-N 1 2 345.447 2.262 20 30 EEEDLO N#Cc1ccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)[nH]1 ZINC000597642619 468624311 /nfs/dbraw/zinc/62/43/11/468624311.db2.gz VGUWMAROSNAYHW-UHFFFAOYSA-N 1 2 329.429 2.121 20 30 EEEDLO C[C@H](NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccc2c(c1)CCCC2 ZINC000592145941 468636985 /nfs/dbraw/zinc/63/69/85/468636985.db2.gz BUNRBCPRQIXCIF-YWZLYKJASA-N 1 2 341.455 2.093 20 30 EEEDLO C[C@H](NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccc2c(c1)CCCC2 ZINC000592145941 468636988 /nfs/dbraw/zinc/63/69/88/468636988.db2.gz BUNRBCPRQIXCIF-YWZLYKJASA-N 1 2 341.455 2.093 20 30 EEEDLO COc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc(OC)c1C(C)C ZINC000583384376 468690027 /nfs/dbraw/zinc/69/00/27/468690027.db2.gz QPYHOQSHRWYRIP-SFHVURJKSA-N 1 2 333.432 2.401 20 30 EEEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000595621481 468927106 /nfs/dbraw/zinc/92/71/06/468927106.db2.gz VMPYBXSIPSAMFV-HNNXBMFYSA-N 1 2 348.410 2.308 20 30 EEEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000595621481 468927112 /nfs/dbraw/zinc/92/71/12/468927112.db2.gz VMPYBXSIPSAMFV-HNNXBMFYSA-N 1 2 348.410 2.308 20 30 EEEDLO Cn1ccc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n1 ZINC000595725281 468971227 /nfs/dbraw/zinc/97/12/27/468971227.db2.gz FBWYTKHMVRENFO-UHFFFAOYSA-N 1 2 347.426 2.004 20 30 EEEDLO C[N@@H+](Cc1ccc(Br)cc1C#N)C[C@H]1COCCO1 ZINC000595738719 468979969 /nfs/dbraw/zinc/97/99/69/468979969.db2.gz XQANTIDXJZGGKZ-AWEZNQCLSA-N 1 2 325.206 2.168 20 30 EEEDLO C[N@H+](Cc1ccc(Br)cc1C#N)C[C@H]1COCCO1 ZINC000595738719 468979972 /nfs/dbraw/zinc/97/99/72/468979972.db2.gz XQANTIDXJZGGKZ-AWEZNQCLSA-N 1 2 325.206 2.168 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)C1CC1 ZINC000586771836 469062021 /nfs/dbraw/zinc/06/20/21/469062021.db2.gz UXZRUIDEOCDAON-CQSZACIVSA-N 1 2 336.461 2.265 20 30 EEEDLO COC(=O)[C@H]([NH2+]CCOc1ccccc1C#N)[C@@H]1CCC[C@H](OC)C1 ZINC000573124226 469066887 /nfs/dbraw/zinc/06/68/87/469066887.db2.gz WCASTAHTNDHPFD-UWWQBHOKSA-N 1 2 346.427 2.273 20 30 EEEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000602802115 469086465 /nfs/dbraw/zinc/08/64/65/469086465.db2.gz OJZJUYJQVIDHRB-GOSISDBHSA-N 1 2 325.391 2.041 20 30 EEEDLO COC(=O)[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)C1CCCCC1 ZINC000599370791 469232714 /nfs/dbraw/zinc/23/27/14/469232714.db2.gz KTRAGGAAPYDRBZ-FUHWJXTLSA-N 1 2 346.427 2.009 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)ccc1F ZINC000602201329 469239409 /nfs/dbraw/zinc/23/94/09/469239409.db2.gz YJEVZXDQYBRMOA-UHFFFAOYSA-N 1 2 338.386 2.093 20 30 EEEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCC3(C#N)CC3)CC2)c1 ZINC000574350909 469272948 /nfs/dbraw/zinc/27/29/48/469272948.db2.gz QMXGYWNDXXWDCD-HNNXBMFYSA-N 1 2 342.443 2.387 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccnc(C#N)c3)CC2)cc1 ZINC000603139066 469278117 /nfs/dbraw/zinc/27/81/17/469278117.db2.gz MHIVJDHSYLCCLX-UHFFFAOYSA-N 1 2 346.394 2.175 20 30 EEEDLO COC(=O)c1ccc(F)c(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)c1 ZINC000611574266 469283864 /nfs/dbraw/zinc/28/38/64/469283864.db2.gz WGXIRSRPQNVXEC-KRWDZBQOSA-N 1 2 333.407 2.278 20 30 EEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000619718550 469669386 /nfs/dbraw/zinc/66/93/86/469669386.db2.gz OYOWZXURPZPGTQ-KRWDZBQOSA-N 1 2 330.428 2.051 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000619719062 469669536 /nfs/dbraw/zinc/66/95/36/469669536.db2.gz QSYBUNKXVSITGC-DGCLKSJQSA-N 1 2 337.807 2.113 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000619719062 469669543 /nfs/dbraw/zinc/66/95/43/469669543.db2.gz QSYBUNKXVSITGC-DGCLKSJQSA-N 1 2 337.807 2.113 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000619719289 469669796 /nfs/dbraw/zinc/66/97/96/469669796.db2.gz JXMUMVBXVSRYSA-CZUORRHYSA-N 1 2 349.406 2.387 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000619719289 469669798 /nfs/dbraw/zinc/66/97/98/469669798.db2.gz JXMUMVBXVSRYSA-CZUORRHYSA-N 1 2 349.406 2.387 20 30 EEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000619718553 469669856 /nfs/dbraw/zinc/66/98/56/469669856.db2.gz OYOWZXURPZPGTQ-QGZVFWFLSA-N 1 2 330.428 2.051 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000609486037 469932509 /nfs/dbraw/zinc/93/25/09/469932509.db2.gz BYSHSYQJGLFFFX-ZRSRNVLSSA-N 1 2 348.535 2.482 20 30 EEEDLO CCN(C(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1)C1CCCCC1 ZINC000609486843 469933183 /nfs/dbraw/zinc/93/31/83/469933183.db2.gz SIILPGDOYCBYJE-GOSISDBHSA-N 1 2 334.508 2.333 20 30 EEEDLO CC#CC[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000627977170 470036889 /nfs/dbraw/zinc/03/68/89/470036889.db2.gz IXXKGTMANPIHQK-IRXDYDNUSA-N 1 2 334.847 2.195 20 30 EEEDLO CC#CC[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000627977170 470036890 /nfs/dbraw/zinc/03/68/90/470036890.db2.gz IXXKGTMANPIHQK-IRXDYDNUSA-N 1 2 334.847 2.195 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(C)c(Br)cn2)C1=O ZINC000628259169 470082033 /nfs/dbraw/zinc/08/20/33/470082033.db2.gz JKSIARPSJBHLNR-CQSZACIVSA-N 1 2 338.249 2.371 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(C)c(Br)cn2)C1=O ZINC000628259169 470082034 /nfs/dbraw/zinc/08/20/34/470082034.db2.gz JKSIARPSJBHLNR-CQSZACIVSA-N 1 2 338.249 2.371 20 30 EEEDLO C=CCCC(C)(C)NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000666239615 471325839 /nfs/dbraw/zinc/32/58/39/471325839.db2.gz GTJXUCNVODIYDK-UHFFFAOYSA-N 1 2 335.452 2.082 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000664078342 471630709 /nfs/dbraw/zinc/63/07/09/471630709.db2.gz LWBSYLRBCZPHJV-HZPDHXFCSA-N 1 2 347.459 2.160 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000664078342 471630712 /nfs/dbraw/zinc/63/07/12/471630712.db2.gz LWBSYLRBCZPHJV-HZPDHXFCSA-N 1 2 347.459 2.160 20 30 EEEDLO C=CCN(C(=O)NCCc1cn2c(cccc2C)[nH+]1)[C@@H](C)COC ZINC000665217001 471971135 /nfs/dbraw/zinc/97/11/35/471971135.db2.gz VDVMOSZTICGTKR-HNNXBMFYSA-N 1 2 330.432 2.418 20 30 EEEDLO C=CCn1cc(CNC(=O)C[N@@H+](CC)Cc2ccccc2Cl)nn1 ZINC000424909018 534455189 /nfs/dbraw/zinc/45/51/89/534455189.db2.gz ROMABUYKISCPQP-UHFFFAOYSA-N 1 2 347.850 2.256 20 30 EEEDLO C=CCn1cc(CNC(=O)C[N@H+](CC)Cc2ccccc2Cl)nn1 ZINC000424909018 534455194 /nfs/dbraw/zinc/45/51/94/534455194.db2.gz ROMABUYKISCPQP-UHFFFAOYSA-N 1 2 347.850 2.256 20 30 EEEDLO C=CCN(CCOC)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000192109756 526292292 /nfs/dbraw/zinc/29/22/92/526292292.db2.gz ZJLRJFJEHLBAIO-UHFFFAOYSA-N 1 2 333.432 2.185 20 30 EEEDLO C#CCCCC(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000192055101 526678811 /nfs/dbraw/zinc/67/88/11/526678811.db2.gz JCVUHRCNRQBDNV-UHFFFAOYSA-N 1 2 338.455 2.399 20 30 EEEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000109834508 526907019 /nfs/dbraw/zinc/90/70/19/526907019.db2.gz KHPQPJHEVAHLCT-AWEZNQCLSA-N 1 2 328.309 2.424 20 30 EEEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000109834508 526907022 /nfs/dbraw/zinc/90/70/22/526907022.db2.gz KHPQPJHEVAHLCT-AWEZNQCLSA-N 1 2 328.309 2.424 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc3NC2=O)c1 ZINC000191950880 527451009 /nfs/dbraw/zinc/45/10/09/527451009.db2.gz RAGIWOJNWUDRPC-LJQANCHMSA-N 1 2 347.418 2.492 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H]2CCc3ccccc3NC2=O)c1 ZINC000191950880 527451010 /nfs/dbraw/zinc/45/10/10/527451010.db2.gz RAGIWOJNWUDRPC-LJQANCHMSA-N 1 2 347.418 2.492 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000377981202 527462312 /nfs/dbraw/zinc/46/23/12/527462312.db2.gz CURRKABXFCCAQR-UHFFFAOYSA-N 1 2 334.423 2.094 20 30 EEEDLO CC[C@@H]1C[N@H+](CCNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CCO1 ZINC000456030423 535853951 /nfs/dbraw/zinc/85/39/51/535853951.db2.gz QUUNUJHDUXXRKA-GOSISDBHSA-N 1 2 343.471 2.354 20 30 EEEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CCO1 ZINC000456030423 535853957 /nfs/dbraw/zinc/85/39/57/535853957.db2.gz QUUNUJHDUXXRKA-GOSISDBHSA-N 1 2 343.471 2.354 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3nc(C)c(C)o3)CC2)nc1 ZINC000729922400 576692895 /nfs/dbraw/zinc/69/28/95/576692895.db2.gz ZURSDOGLFPRPND-UHFFFAOYSA-N 1 2 338.411 2.016 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](Cc3nc(C)c(C)o3)CC2)nc1 ZINC000729922400 576692897 /nfs/dbraw/zinc/69/28/97/576692897.db2.gz ZURSDOGLFPRPND-UHFFFAOYSA-N 1 2 338.411 2.016 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(COCCOCC)c1 ZINC000730278370 577014877 /nfs/dbraw/zinc/01/48/77/577014877.db2.gz KWIZSGMNFOZMIZ-SFHVURJKSA-N 1 2 330.428 2.276 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(COCCOCC)c1 ZINC000730278370 577014879 /nfs/dbraw/zinc/01/48/79/577014879.db2.gz KWIZSGMNFOZMIZ-SFHVURJKSA-N 1 2 330.428 2.276 20 30 EEEDLO C=C(C)CNC(=S)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000730599159 577045470 /nfs/dbraw/zinc/04/54/70/577045470.db2.gz AVWNCPKMEREQBB-KRWDZBQOSA-N 1 2 333.501 2.409 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 ZINC000732096711 577147928 /nfs/dbraw/zinc/14/79/28/577147928.db2.gz XVNQIZFSSJWPBT-KRWDZBQOSA-N 1 2 327.428 2.169 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 ZINC000732096711 577147932 /nfs/dbraw/zinc/14/79/32/577147932.db2.gz XVNQIZFSSJWPBT-KRWDZBQOSA-N 1 2 327.428 2.169 20 30 EEEDLO COC(=O)[C@@H](C)C[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000734150185 577278107 /nfs/dbraw/zinc/27/81/07/577278107.db2.gz ZHSIQISEMFUSLN-NWDGAFQWSA-N 1 2 345.424 2.213 20 30 EEEDLO COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000734150185 577278108 /nfs/dbraw/zinc/27/81/08/577278108.db2.gz ZHSIQISEMFUSLN-NWDGAFQWSA-N 1 2 345.424 2.213 20 30 EEEDLO C=CC[N@H+](Cc1ccccc1)CN1C[C@@](C)(C(=O)OCC)CC1=O ZINC000774550640 577403439 /nfs/dbraw/zinc/40/34/39/577403439.db2.gz NKBJEPCZQMZGAZ-IBGZPJMESA-N 1 2 330.428 2.434 20 30 EEEDLO C=CC[N@@H+](Cc1ccccc1)CN1C[C@@](C)(C(=O)OCC)CC1=O ZINC000774550640 577403441 /nfs/dbraw/zinc/40/34/41/577403441.db2.gz NKBJEPCZQMZGAZ-IBGZPJMESA-N 1 2 330.428 2.434 20 30 EEEDLO C#CCN(C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC)C1CC1 ZINC000764678236 577486592 /nfs/dbraw/zinc/48/65/92/577486592.db2.gz LHMOZVIWIUKBBW-QGZVFWFLSA-N 1 2 338.411 2.325 20 30 EEEDLO C[N@H+](C[C@@H]1OCCc2ccccc21)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766619341 577522186 /nfs/dbraw/zinc/52/21/86/577522186.db2.gz JMSYNCNZEJKMME-FQEVSTJZSA-N 1 2 349.434 2.412 20 30 EEEDLO C[N@@H+](C[C@@H]1OCCc2ccccc21)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766619341 577522187 /nfs/dbraw/zinc/52/21/87/577522187.db2.gz JMSYNCNZEJKMME-FQEVSTJZSA-N 1 2 349.434 2.412 20 30 EEEDLO CN(C)c1cc(COC(=O)Cc2cccc(OCC#N)c2)cc[nH+]1 ZINC000767589818 577540547 /nfs/dbraw/zinc/54/05/47/577540547.db2.gz RQORTDKFEMRMDL-UHFFFAOYSA-N 1 2 325.368 2.336 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cc(C#N)cs2)[C@@H](C#N)C1 ZINC000758028482 577868525 /nfs/dbraw/zinc/86/85/25/577868525.db2.gz GBPMBCLKJLSPGQ-JSGCOSHPSA-N 1 2 332.429 2.468 20 30 EEEDLO CC(=[NH+]Nc1ccnc(N(C)C)n1)c1ccc(N2CCOCC2)cc1 ZINC000739418346 578052813 /nfs/dbraw/zinc/05/28/13/578052813.db2.gz NUALTZZZAIUUGQ-UHFFFAOYSA-N 1 2 340.431 2.215 20 30 EEEDLO C[C@@H](NC(=O)[C@@H]1CCOC1)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000969370154 674908187 /nfs/dbraw/zinc/90/81/87/674908187.db2.gz JYYOFPRDZDZZGV-GDBMZVCRSA-N 1 2 346.858 2.165 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@H](C)c3ncc(C)o3)C2)nc1 ZINC000970762512 676131932 /nfs/dbraw/zinc/13/19/32/676131932.db2.gz FCHKZTGBYPIKQX-UONOGXRCSA-N 1 2 338.411 2.171 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(-c3ccoc3)n[nH]2)C1 ZINC000970867731 676206137 /nfs/dbraw/zinc/20/61/37/676206137.db2.gz FVQIYIWOPQUUHL-NSHDSACASA-N 1 2 334.807 2.472 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cn3c(n2)C[C@@H](C)CC3)C1 ZINC000969960918 675345950 /nfs/dbraw/zinc/34/59/50/675345950.db2.gz ITMXLPTTXSNGBP-AAEUAGOBSA-N 1 2 336.867 2.268 20 30 EEEDLO Cc1nscc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001038179335 675607728 /nfs/dbraw/zinc/60/77/28/675607728.db2.gz GXOXUOFJNISWJH-HNNXBMFYSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1nscc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001038179335 675607729 /nfs/dbraw/zinc/60/77/29/675607729.db2.gz GXOXUOFJNISWJH-HNNXBMFYSA-N 1 2 326.425 2.328 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2occc2-c2cnn(C)c2)C1 ZINC000970323838 675787473 /nfs/dbraw/zinc/78/74/73/675787473.db2.gz NXEZMULTGIVTQV-GFCCVEGCSA-N 1 2 348.834 2.483 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)c2cccnc2)C1 ZINC000970966637 676278102 /nfs/dbraw/zinc/27/81/02/676278102.db2.gz SJYCUOWZKAJVGC-SFHVURJKSA-N 1 2 338.386 2.439 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)c2cccnc2)C1 ZINC000970966637 676278104 /nfs/dbraw/zinc/27/81/04/676278104.db2.gz SJYCUOWZKAJVGC-SFHVURJKSA-N 1 2 338.386 2.439 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(C)ccc2=O)C1 ZINC001021631495 676285899 /nfs/dbraw/zinc/28/58/99/676285899.db2.gz XKWYCLHDPBFRAC-GDBMZVCRSA-N 1 2 349.862 2.064 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn(C)ccc2=O)C1 ZINC001021631495 676285900 /nfs/dbraw/zinc/28/59/00/676285900.db2.gz XKWYCLHDPBFRAC-GDBMZVCRSA-N 1 2 349.862 2.064 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC000971058031 676346046 /nfs/dbraw/zinc/34/60/46/676346046.db2.gz FBNKEFXUUCOGAF-MRXNPFEDSA-N 1 2 326.375 2.372 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC000971058031 676346047 /nfs/dbraw/zinc/34/60/47/676346047.db2.gz FBNKEFXUUCOGAF-MRXNPFEDSA-N 1 2 326.375 2.372 20 30 EEEDLO N#Cc1cc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)cs1 ZINC000892077883 677977137 /nfs/dbraw/zinc/97/71/37/677977137.db2.gz BKZOFLZTAASHBK-UHFFFAOYSA-N 1 2 326.425 2.041 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3ncc(C)cn3)C2)cc1 ZINC000972058922 678184866 /nfs/dbraw/zinc/18/48/66/678184866.db2.gz MVARYAHTNWETER-SFHVURJKSA-N 1 2 334.423 2.113 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncc(C)cn3)C2)cc1 ZINC000972058922 678184867 /nfs/dbraw/zinc/18/48/67/678184867.db2.gz MVARYAHTNWETER-SFHVURJKSA-N 1 2 334.423 2.113 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nc(C(C)C)oc3C)C2)C1 ZINC000972382404 678629802 /nfs/dbraw/zinc/62/98/02/678629802.db2.gz YLWWTFDILDAJGY-IBGZPJMESA-N 1 2 345.443 2.047 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nc(C(C)C)oc3C)C2)C1 ZINC000972382404 678629804 /nfs/dbraw/zinc/62/98/04/678629804.db2.gz YLWWTFDILDAJGY-IBGZPJMESA-N 1 2 345.443 2.047 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C)c(Cl)c3)C2)C1 ZINC000972535598 679201435 /nfs/dbraw/zinc/20/14/35/679201435.db2.gz YDHSHVZEGLQLSL-GOSISDBHSA-N 1 2 332.831 2.199 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C)c(Cl)c3)C2)C1 ZINC000972535598 679201437 /nfs/dbraw/zinc/20/14/37/679201437.db2.gz YDHSHVZEGLQLSL-GOSISDBHSA-N 1 2 332.831 2.199 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC(F)(F)C3)C2)C1 ZINC000972548367 679249001 /nfs/dbraw/zinc/24/90/01/679249001.db2.gz HZHWCQANUSRTQF-DOTOQJQBSA-N 1 2 340.414 2.139 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC(F)(F)C3)C2)C1 ZINC000972548367 679249002 /nfs/dbraw/zinc/24/90/02/679249002.db2.gz HZHWCQANUSRTQF-DOTOQJQBSA-N 1 2 340.414 2.139 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc4[nH]ccc43)C2)C1 ZINC000972563343 679298674 /nfs/dbraw/zinc/29/86/74/679298674.db2.gz RECWHYUPNWIYPB-HXUWFJFHSA-N 1 2 337.423 2.108 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc4[nH]ccc43)C2)C1 ZINC000972563343 679298675 /nfs/dbraw/zinc/29/86/75/679298675.db2.gz RECWHYUPNWIYPB-HXUWFJFHSA-N 1 2 337.423 2.108 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)c3ccccc3F)C2)C1 ZINC000972597610 679395236 /nfs/dbraw/zinc/39/52/36/679395236.db2.gz VJJNYIZEDHJRJC-UZLBHIALSA-N 1 2 344.430 2.256 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)c3ccccc3F)C2)C1 ZINC000972597610 679395237 /nfs/dbraw/zinc/39/52/37/679395237.db2.gz VJJNYIZEDHJRJC-UZLBHIALSA-N 1 2 344.430 2.256 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3sc(CC)nc3C)C2)C1 ZINC000972597897 679396000 /nfs/dbraw/zinc/39/60/00/679396000.db2.gz XGHVDGCSSWBDND-KRWDZBQOSA-N 1 2 335.473 2.117 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3sc(CC)nc3C)C2)C1 ZINC000972597897 679396002 /nfs/dbraw/zinc/39/60/02/679396002.db2.gz XGHVDGCSSWBDND-KRWDZBQOSA-N 1 2 335.473 2.117 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccoc3CCC)C2)C1 ZINC000972640924 679479940 /nfs/dbraw/zinc/47/99/40/679479940.db2.gz OYEGCPJKQFVGAE-IBGZPJMESA-N 1 2 330.428 2.172 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccoc3CCC)C2)C1 ZINC000972640924 679479943 /nfs/dbraw/zinc/47/99/43/679479943.db2.gz OYEGCPJKQFVGAE-IBGZPJMESA-N 1 2 330.428 2.172 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(Cl)cc3)C2)C1 ZINC000972646527 679501484 /nfs/dbraw/zinc/50/14/84/679501484.db2.gz HWQICNIIBMVNRH-GOSISDBHSA-N 1 2 332.831 2.280 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(Cl)cc3)C2)C1 ZINC000972646527 679501486 /nfs/dbraw/zinc/50/14/86/679501486.db2.gz HWQICNIIBMVNRH-GOSISDBHSA-N 1 2 332.831 2.280 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccc(F)cc3F)C2)C1 ZINC000972683477 679597995 /nfs/dbraw/zinc/59/79/95/679597995.db2.gz MYJGFZAJVGDAIB-KUHUBIRLSA-N 1 2 348.393 2.005 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccc(F)cc3F)C2)C1 ZINC000972683477 679597997 /nfs/dbraw/zinc/59/79/97/679597997.db2.gz MYJGFZAJVGDAIB-KUHUBIRLSA-N 1 2 348.393 2.005 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C=C)c3ccccc3)C2)C1 ZINC000972685717 679601208 /nfs/dbraw/zinc/60/12/08/679601208.db2.gz SHTIYNWMOFYMOH-UYAOXDASSA-N 1 2 326.440 2.446 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C=C)c3ccccc3)C2)C1 ZINC000972685717 679601210 /nfs/dbraw/zinc/60/12/10/679601210.db2.gz SHTIYNWMOFYMOH-UYAOXDASSA-N 1 2 326.440 2.446 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[N@H+](CC#Cc3ccccc3)CC2(C)C)no1 ZINC000972779549 679774442 /nfs/dbraw/zinc/77/44/42/679774442.db2.gz DAMKODUASWDZJA-SFHVURJKSA-N 1 2 337.423 2.475 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[N@@H+](CC#Cc3ccccc3)CC2(C)C)no1 ZINC000972779549 679774443 /nfs/dbraw/zinc/77/44/43/679774443.db2.gz DAMKODUASWDZJA-SFHVURJKSA-N 1 2 337.423 2.475 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2cn[nH]c2)c(F)c1 ZINC001024344536 679878075 /nfs/dbraw/zinc/87/80/75/679878075.db2.gz CMWLWIUEKYCQAO-INIZCTEOSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2cn[nH]c2)c(F)c1 ZINC001024344536 679878076 /nfs/dbraw/zinc/87/80/76/679878076.db2.gz CMWLWIUEKYCQAO-INIZCTEOSA-N 1 2 341.390 2.205 20 30 EEEDLO Cc1ncc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)[nH]1 ZINC001024363470 679879662 /nfs/dbraw/zinc/87/96/62/679879662.db2.gz CEGHTWLSIYIHGS-KRWDZBQOSA-N 1 2 337.427 2.374 20 30 EEEDLO Cc1ncc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)[nH]1 ZINC001024363470 679879663 /nfs/dbraw/zinc/87/96/63/679879663.db2.gz CEGHTWLSIYIHGS-KRWDZBQOSA-N 1 2 337.427 2.374 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2ncn(C)c2n1 ZINC001024649171 681319395 /nfs/dbraw/zinc/31/93/95/681319395.db2.gz QTGWIHDKUVORLT-ZDUSSCGKSA-N 1 2 347.850 2.305 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2ncn(C)c2n1 ZINC001024649171 681319396 /nfs/dbraw/zinc/31/93/96/681319396.db2.gz QTGWIHDKUVORLT-ZDUSSCGKSA-N 1 2 347.850 2.305 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnn2cc(C)cnc12 ZINC001024685125 681345423 /nfs/dbraw/zinc/34/54/23/681345423.db2.gz GGOLWQUXAWLKLU-CQSZACIVSA-N 1 2 347.850 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn2cc(C)cnc12 ZINC001024685125 681345427 /nfs/dbraw/zinc/34/54/27/681345427.db2.gz GGOLWQUXAWLKLU-CQSZACIVSA-N 1 2 347.850 2.375 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@]3(C)C[N@@H+](Cc4cnon4)C[C@]3(C)C2)CC1 ZINC000982513065 681436661 /nfs/dbraw/zinc/43/66/61/681436661.db2.gz OFHICFHSEWEMTR-KDURUIRLSA-N 1 2 344.459 2.486 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@]3(C)C[N@H+](Cc4cnon4)C[C@]3(C)C2)CC1 ZINC000982513065 681436664 /nfs/dbraw/zinc/43/66/64/681436664.db2.gz OFHICFHSEWEMTR-KDURUIRLSA-N 1 2 344.459 2.486 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C/C(Cl)=C/Cl)C2)c[nH]1 ZINC001028488864 681593861 /nfs/dbraw/zinc/59/38/61/681593861.db2.gz JBCIDPQOTFEVNR-OQTVPUDGSA-N 1 2 327.215 2.257 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C/C(Cl)=C/Cl)C2)c[nH]1 ZINC001028488864 681593863 /nfs/dbraw/zinc/59/38/63/681593863.db2.gz JBCIDPQOTFEVNR-OQTVPUDGSA-N 1 2 327.215 2.257 20 30 EEEDLO Cc1nc(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)c(C)o1 ZINC000982600210 681775610 /nfs/dbraw/zinc/77/56/10/681775610.db2.gz AEKVSXUNCOTWOY-UHFFFAOYSA-N 1 2 337.423 2.491 20 30 EEEDLO Cc1nc(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)c(C)o1 ZINC000982600210 681775616 /nfs/dbraw/zinc/77/56/16/681775616.db2.gz AEKVSXUNCOTWOY-UHFFFAOYSA-N 1 2 337.423 2.491 20 30 EEEDLO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)n1cccn1 ZINC001029222622 683576026 /nfs/dbraw/zinc/57/60/26/683576026.db2.gz ANRIZRNQEYPJFO-RLLQIKCJSA-N 1 2 348.450 2.171 20 30 EEEDLO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)n1cccn1 ZINC001029222622 683576027 /nfs/dbraw/zinc/57/60/27/683576027.db2.gz ANRIZRNQEYPJFO-RLLQIKCJSA-N 1 2 348.450 2.171 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)c(C)o1 ZINC000993170860 684035986 /nfs/dbraw/zinc/03/59/86/684035986.db2.gz ODXUSAABDMMPLI-ABAIWWIYSA-N 1 2 341.415 2.274 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)c(C)o1 ZINC000993170860 684035988 /nfs/dbraw/zinc/03/59/88/684035988.db2.gz ODXUSAABDMMPLI-ABAIWWIYSA-N 1 2 341.415 2.274 20 30 EEEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000925572997 684519346 /nfs/dbraw/zinc/51/93/46/684519346.db2.gz LLDDRHAQZVJJCZ-CYBMUJFWSA-N 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C=C1CCC(C(=O)N(C)[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000984709082 685032423 /nfs/dbraw/zinc/03/24/23/685032423.db2.gz FSSATKCNSXQGRU-KRWDZBQOSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cn(C3CCC3)nn2)C(C)(C)C1 ZINC000974607106 685120766 /nfs/dbraw/zinc/12/07/66/685120766.db2.gz YSVZQTVUIXSPPJ-CQSZACIVSA-N 1 2 337.855 2.196 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn(C3CCC3)nn2)C(C)(C)C1 ZINC000974607106 685120770 /nfs/dbraw/zinc/12/07/70/685120770.db2.gz YSVZQTVUIXSPPJ-CQSZACIVSA-N 1 2 337.855 2.196 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)[C@]1(F)CCOC1 ZINC000974965673 685786970 /nfs/dbraw/zinc/78/69/70/685786970.db2.gz AHLBHWLTPVEJGJ-LPHOPBHVSA-N 1 2 345.418 2.013 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)[C@]1(F)CCOC1 ZINC000974965673 685786975 /nfs/dbraw/zinc/78/69/75/685786975.db2.gz AHLBHWLTPVEJGJ-LPHOPBHVSA-N 1 2 345.418 2.013 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccnc3c2ncn3C)C(C)(C)C1 ZINC000975032200 686083179 /nfs/dbraw/zinc/08/31/79/686083179.db2.gz ULPBRZXZJUXESS-CYBMUJFWSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccnc3c2ncn3C)C(C)(C)C1 ZINC000975032200 686083182 /nfs/dbraw/zinc/08/31/82/686083182.db2.gz ULPBRZXZJUXESS-CYBMUJFWSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)cs2)CC1(C)C ZINC000975064513 686092344 /nfs/dbraw/zinc/09/23/44/686092344.db2.gz NGGDYEIOWOFMGT-QLFBSQMISA-N 1 2 349.500 2.369 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2nc(C)cs2)CC1(C)C ZINC000975064513 686092346 /nfs/dbraw/zinc/09/23/46/686092346.db2.gz NGGDYEIOWOFMGT-QLFBSQMISA-N 1 2 349.500 2.369 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1C#N ZINC001029565661 686134619 /nfs/dbraw/zinc/13/46/19/686134619.db2.gz QVVCVANCXZKNIH-HDICACEKSA-N 1 2 349.438 2.008 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnoc1C ZINC001029566705 686149859 /nfs/dbraw/zinc/14/98/59/686149859.db2.gz IYGIWLLYSBZICG-BGYRXZFFSA-N 1 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ZINC001029679238 686769146 /nfs/dbraw/zinc/76/91/46/686769146.db2.gz YFCKOWKWGWMYKV-GHMZBOCLSA-N 1 2 326.853 2.236 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H](C[N@@H+](C)Cc2csc(Cl)n2)C1 ZINC001029679238 686769147 /nfs/dbraw/zinc/76/91/47/686769147.db2.gz YFCKOWKWGWMYKV-GHMZBOCLSA-N 1 2 326.853 2.236 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC001027355233 687668271 /nfs/dbraw/zinc/66/82/71/687668271.db2.gz RMIPBOLSQQMOSU-OAHLLOKOSA-N 1 2 343.456 2.388 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC001027355233 687668277 /nfs/dbraw/zinc/66/82/77/687668277.db2.gz RMIPBOLSQQMOSU-OAHLLOKOSA-N 1 2 343.456 2.388 20 30 EEEDLO Cc1cnc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)s1 ZINC001027371416 687760269 /nfs/dbraw/zinc/76/02/69/687760269.db2.gz BEFMNWKMEKQDDT-AWEZNQCLSA-N 1 2 343.456 2.388 20 30 EEEDLO Cc1cnc(C[N@H+](C)[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)s1 ZINC001027371416 687760277 /nfs/dbraw/zinc/76/02/77/687760277.db2.gz BEFMNWKMEKQDDT-AWEZNQCLSA-N 1 2 343.456 2.388 20 30 EEEDLO C[N@H+](Cc1nc2c(o1)CCCC2)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027407116 687950345 /nfs/dbraw/zinc/95/03/45/687950345.db2.gz ABQHJQOOQXZNRT-MRXNPFEDSA-N 1 2 341.455 2.390 20 30 EEEDLO C[N@@H+](Cc1nc2c(o1)CCCC2)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027407116 687950350 /nfs/dbraw/zinc/95/03/50/687950350.db2.gz ABQHJQOOQXZNRT-MRXNPFEDSA-N 1 2 341.455 2.390 20 30 EEEDLO C[N@H+](Cc1noc2c1CCCC2)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027405640 687965615 /nfs/dbraw/zinc/96/56/15/687965615.db2.gz KETJGKLURWWLSK-MRXNPFEDSA-N 1 2 341.455 2.390 20 30 EEEDLO C[N@@H+](Cc1noc2c1CCCC2)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027405640 687965618 /nfs/dbraw/zinc/96/56/18/687965618.db2.gz KETJGKLURWWLSK-MRXNPFEDSA-N 1 2 341.455 2.390 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000125468110 687998003 /nfs/dbraw/zinc/99/80/03/687998003.db2.gz UPBOEYCGDBWBAP-UHFFFAOYSA-N 1 2 327.384 2.474 20 30 EEEDLO Cc1ncc(C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3C#N)[C@H]2C)[nH]1 ZINC000986054132 688137136 /nfs/dbraw/zinc/13/71/36/688137136.db2.gz ICUNFNSVOMLMJD-BDJLRTHQSA-N 1 2 341.390 2.122 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(CC)o3)[C@H]2C)cc1 ZINC000986636581 688809901 /nfs/dbraw/zinc/80/99/01/688809901.db2.gz JPUWHOQINOVTNF-CZUORRHYSA-N 1 2 338.411 2.006 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(CC)o3)[C@H]2C)cc1 ZINC000986636579 688810082 /nfs/dbraw/zinc/81/00/82/688810082.db2.gz JPUWHOQINOVTNF-CJNGLKHVSA-N 1 2 338.411 2.006 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060174786 694243178 /nfs/dbraw/zinc/24/31/78/694243178.db2.gz BSAAWGCNULBUTE-ZBFHGGJFSA-N 1 2 346.475 2.218 20 30 EEEDLO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)c1ccn[nH]1 ZINC001027765637 694407241 /nfs/dbraw/zinc/40/72/41/694407241.db2.gz HRYBQHKEQSZDRE-OAHLLOKOSA-N 1 2 342.830 2.309 20 30 EEEDLO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)c1ccn[nH]1 ZINC001027765637 694407243 /nfs/dbraw/zinc/40/72/43/694407243.db2.gz HRYBQHKEQSZDRE-OAHLLOKOSA-N 1 2 342.830 2.309 20 30 EEEDLO C[C@@H]1C[C@@H]([NH2+]Cc2nc(C3CCCC3)no2)CN1C(=O)C#CC1CC1 ZINC000988807721 691226767 /nfs/dbraw/zinc/22/67/67/691226767.db2.gz YQFCXYOBAUZAPM-CZUORRHYSA-N 1 2 342.443 2.220 20 30 EEEDLO CC#CC[N@@H+]1CCCN(C(=O)c2ccc(P(C)(C)=O)cc2)CC1 ZINC000989718543 692218820 /nfs/dbraw/zinc/21/88/20/692218820.db2.gz YWDAEEFKMJDZBD-UHFFFAOYSA-N 1 2 332.384 2.106 20 30 EEEDLO CC#CC[N@H+]1CCCN(C(=O)c2ccc(P(C)(C)=O)cc2)CC1 ZINC000989718543 692218822 /nfs/dbraw/zinc/21/88/22/692218822.db2.gz YWDAEEFKMJDZBD-UHFFFAOYSA-N 1 2 332.384 2.106 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCO3)CCC[C@H]12 ZINC000989932058 692483215 /nfs/dbraw/zinc/48/32/15/692483215.db2.gz KCKHTSZNMNDTOC-KCQAQPDRSA-N 1 2 343.265 2.187 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCO3)CCC[C@H]12 ZINC000989932058 692483218 /nfs/dbraw/zinc/48/32/18/692483218.db2.gz KCKHTSZNMNDTOC-KCQAQPDRSA-N 1 2 343.265 2.187 20 30 EEEDLO Cc1nc(NC[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001060002589 692500229 /nfs/dbraw/zinc/50/02/29/692500229.db2.gz AWRLQUWXWYGLOT-UKRRQHHQSA-N 1 2 341.459 2.474 20 30 EEEDLO N#Cc1cc(C(=O)N[C@]23CCC[C@H]2[N@H+](Cc2cscn2)CC3)c[nH]1 ZINC000990289658 692799976 /nfs/dbraw/zinc/79/99/76/692799976.db2.gz RWEHVTDIKDMXIN-WBVHZDCISA-N 1 2 341.440 2.270 20 30 EEEDLO N#Cc1cc(C(=O)N[C@]23CCC[C@H]2[N@@H+](Cc2cscn2)CC3)c[nH]1 ZINC000990289658 692799980 /nfs/dbraw/zinc/79/99/80/692799980.db2.gz RWEHVTDIKDMXIN-WBVHZDCISA-N 1 2 341.440 2.270 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@H]23)o1 ZINC000990276526 692803428 /nfs/dbraw/zinc/80/34/28/692803428.db2.gz MKAFBFNRZKDCAR-YJBOKZPZSA-N 1 2 339.399 2.110 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@H]23)o1 ZINC000990276526 692803433 /nfs/dbraw/zinc/80/34/33/692803433.db2.gz MKAFBFNRZKDCAR-YJBOKZPZSA-N 1 2 339.399 2.110 20 30 EEEDLO Cc1ncc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)[nH]1 ZINC001027794257 694555664 /nfs/dbraw/zinc/55/56/64/694555664.db2.gz DOHGMVPTWJXHLF-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1ncc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)[nH]1 ZINC001027794257 694555668 /nfs/dbraw/zinc/55/56/68/694555668.db2.gz DOHGMVPTWJXHLF-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(N(C)C)ccn2)C(C)(C)C1 ZINC000977651630 692880688 /nfs/dbraw/zinc/88/06/88/692880688.db2.gz GFRTUCLJBJUQSS-OAHLLOKOSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(N(C)C)ccn2)C(C)(C)C1 ZINC000977651630 692880692 /nfs/dbraw/zinc/88/06/92/692880692.db2.gz GFRTUCLJBJUQSS-OAHLLOKOSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([N@@H+](C)Cc3nn(CC)nc3C)C2)C1 ZINC001027565670 693055357 /nfs/dbraw/zinc/05/53/57/693055357.db2.gz AFRWGAROKKXTJS-INIZCTEOSA-N 1 2 345.491 2.386 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([N@H+](C)Cc3nn(CC)nc3C)C2)C1 ZINC001027565670 693055360 /nfs/dbraw/zinc/05/53/60/693055360.db2.gz AFRWGAROKKXTJS-INIZCTEOSA-N 1 2 345.491 2.386 20 30 EEEDLO CCN(CCNc1cccc(F)c1C#N)C(=O)CCc1[nH+]ccn1C ZINC001107000674 1192355300 /nfs/dbraw/zinc/35/53/00/1192355300.db2.gz MAYVVICZGHCANJ-UHFFFAOYSA-N 1 2 343.406 2.324 20 30 EEEDLO C[N@H+](CCNC(=O)CCc1cncs1)Cc1ccccc1C#N ZINC001480912882 1178106957 /nfs/dbraw/zinc/10/69/57/1178106957.db2.gz FEGZCWIKLJGJKV-UHFFFAOYSA-N 1 2 328.441 2.196 20 30 EEEDLO C[N@@H+](CCNC(=O)CCc1cncs1)Cc1ccccc1C#N ZINC001480912882 1178106963 /nfs/dbraw/zinc/10/69/63/1178106963.db2.gz FEGZCWIKLJGJKV-UHFFFAOYSA-N 1 2 328.441 2.196 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cscn3)C[C@@H]2C)nc1 ZINC000944192628 1192941643 /nfs/dbraw/zinc/94/16/43/1192941643.db2.gz MNEWVDZVUFSXNT-XJKSGUPXSA-N 1 2 340.452 2.160 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cscn3)C[C@@H]2C)nc1 ZINC000944192628 1192941644 /nfs/dbraw/zinc/94/16/44/1192941644.db2.gz MNEWVDZVUFSXNT-XJKSGUPXSA-N 1 2 340.452 2.160 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)CC(F)(F)C(F)(F)F)O2 ZINC001755057272 1179704615 /nfs/dbraw/zinc/70/46/15/1179704615.db2.gz SKHVGMYLCYWHAU-SNVBAGLBSA-N 1 2 342.308 2.110 20 30 EEEDLO C=C(Cc1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2COCCOC ZINC001269093032 1183953198 /nfs/dbraw/zinc/95/31/98/1183953198.db2.gz MWZKRXXHAURUNN-OALUTQOASA-N 1 2 344.455 2.081 20 30 EEEDLO C=C(Cc1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2COCCOC ZINC001269093032 1183953199 /nfs/dbraw/zinc/95/31/99/1183953199.db2.gz MWZKRXXHAURUNN-OALUTQOASA-N 1 2 344.455 2.081 20 30 EEEDLO Cc1occc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)n(C)c1 ZINC001270306364 1185003198 /nfs/dbraw/zinc/00/31/98/1185003198.db2.gz IEIMQYGOEVAWCW-IYBDPMFKSA-N 1 2 338.411 2.287 20 30 EEEDLO Cc1occc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)n(C)c1 ZINC001270306364 1185003204 /nfs/dbraw/zinc/00/32/04/1185003204.db2.gz IEIMQYGOEVAWCW-IYBDPMFKSA-N 1 2 338.411 2.287 20 30 EEEDLO CCCC/C=C/C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001270429017 1185093690 /nfs/dbraw/zinc/09/36/90/1185093690.db2.gz JVCGWKIVAZMBGY-VOTSOKGWSA-N 1 2 326.444 2.287 20 30 EEEDLO CCCCCC#CC(=O)N1CCCC2(C[NH+](Cc3cn[nH]c3)C2)C1 ZINC001271958440 1186709065 /nfs/dbraw/zinc/70/90/65/1186709065.db2.gz NPTUDAQVNAVVSR-UHFFFAOYSA-N 1 2 328.460 2.418 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1ccncc1Cl ZINC001088529386 1187169855 /nfs/dbraw/zinc/16/98/55/1187169855.db2.gz TXJNWYOPLVVORD-ABAIWWIYSA-N 1 2 343.818 2.328 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1ccncc1Cl ZINC001088529386 1187169859 /nfs/dbraw/zinc/16/98/59/1187169859.db2.gz TXJNWYOPLVVORD-ABAIWWIYSA-N 1 2 343.818 2.328 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1CC=C(Cl)Cl ZINC001088529998 1187172014 /nfs/dbraw/zinc/17/20/14/1187172014.db2.gz ZHACCOGVLCRBLQ-KOLCDFICSA-N 1 2 327.215 2.398 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CC=C(Cl)Cl ZINC001088529998 1187172018 /nfs/dbraw/zinc/17/20/18/1187172018.db2.gz ZHACCOGVLCRBLQ-KOLCDFICSA-N 1 2 327.215 2.398 20 30 EEEDLO O=C(C#Cc1ccc(Cl)cc1)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001272064686 1187383100 /nfs/dbraw/zinc/38/31/00/1187383100.db2.gz HRGUSWHXDMVFRD-UHFFFAOYSA-N 1 2 339.826 2.364 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)CCC1CC1 ZINC001212060121 1187649612 /nfs/dbraw/zinc/64/96/12/1187649612.db2.gz MEKXUDMGRPKFHG-QZTJIDSGSA-N 1 2 345.418 2.203 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)CCC1CC1 ZINC001212060121 1187649616 /nfs/dbraw/zinc/64/96/16/1187649616.db2.gz MEKXUDMGRPKFHG-QZTJIDSGSA-N 1 2 345.418 2.203 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1ccc2nonc2c1 ZINC001272098767 1187774492 /nfs/dbraw/zinc/77/44/92/1187774492.db2.gz WKFIKASAMKTTDD-UHFFFAOYSA-N 1 2 349.394 2.298 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1ccc2nonc2c1 ZINC001272098767 1187774494 /nfs/dbraw/zinc/77/44/94/1187774494.db2.gz WKFIKASAMKTTDD-UHFFFAOYSA-N 1 2 349.394 2.298 20 30 EEEDLO C=CCOCC(=O)N(CC)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001126805318 1188383872 /nfs/dbraw/zinc/38/38/72/1188383872.db2.gz ZPZHLYMWPCVIMS-MRXNPFEDSA-N 1 2 332.448 2.195 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)cn1)C2 ZINC001272849139 1193576175 /nfs/dbraw/zinc/57/61/75/1193576175.db2.gz XKDSJJBFVDJUNE-SFHVURJKSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)cn1)C2 ZINC001272849139 1193576177 /nfs/dbraw/zinc/57/61/77/1193576177.db2.gz XKDSJJBFVDJUNE-SFHVURJKSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C3(c4cc(C)no4)CC3)[C@@H]2C1 ZINC001076172990 1188759649 /nfs/dbraw/zinc/75/96/49/1188759649.db2.gz FMEXUASWNWEXAS-UONOGXRCSA-N 1 2 335.835 2.300 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(c4cc(C)no4)CC3)[C@@H]2C1 ZINC001076172990 1188759651 /nfs/dbraw/zinc/75/96/51/1188759651.db2.gz FMEXUASWNWEXAS-UONOGXRCSA-N 1 2 335.835 2.300 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CCC[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001105689593 1189347354 /nfs/dbraw/zinc/34/73/54/1189347354.db2.gz RCEBYUKUJVUBIH-DZGCQCFKSA-N 1 2 342.447 2.416 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)c1cn[nH]c1-c1ccccn1 ZINC001485883442 1193628807 /nfs/dbraw/zinc/62/88/07/1193628807.db2.gz BCRXBWPXVYMVOD-LBPRGKRZSA-N 1 2 333.823 2.274 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1c(F)cccc1NC(N)=O ZINC001409615823 1190113746 /nfs/dbraw/zinc/11/37/46/1190113746.db2.gz BJQCOOJRTZEJIV-SNVBAGLBSA-N 1 2 342.802 2.119 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1c(F)cccc1NC(N)=O ZINC001409615823 1190113750 /nfs/dbraw/zinc/11/37/50/1190113750.db2.gz BJQCOOJRTZEJIV-SNVBAGLBSA-N 1 2 342.802 2.119 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)NC(=O)C1CCCCC1 ZINC001409693702 1190203490 /nfs/dbraw/zinc/20/34/90/1190203490.db2.gz RPHWKQVXDWAHNU-KBPBESRZSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)NC(=O)C1CCCCC1 ZINC001409693702 1190203496 /nfs/dbraw/zinc/20/34/96/1190203496.db2.gz RPHWKQVXDWAHNU-KBPBESRZSA-N 1 2 343.899 2.260 20 30 EEEDLO CCCCN1C[C@]2(CC[N@H+](Cc3ccc(F)cc3C#N)C2)OCC1=O ZINC001272389563 1190798624 /nfs/dbraw/zinc/79/86/24/1190798624.db2.gz YWSRENLDVCKJMF-LJQANCHMSA-N 1 2 345.418 2.301 20 30 EEEDLO CCCCN1C[C@]2(CC[N@@H+](Cc3ccc(F)cc3C#N)C2)OCC1=O ZINC001272389563 1190798629 /nfs/dbraw/zinc/79/86/29/1190798629.db2.gz YWSRENLDVCKJMF-LJQANCHMSA-N 1 2 345.418 2.301 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)Oc1ccccc1C ZINC001018010882 1224210619 /nfs/dbraw/zinc/21/06/19/1224210619.db2.gz WMYFEBJDJIBOIO-KSZLIROESA-N 1 2 326.440 2.461 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)Oc1ccccc1C ZINC001018010882 1224210624 /nfs/dbraw/zinc/21/06/24/1224210624.db2.gz WMYFEBJDJIBOIO-KSZLIROESA-N 1 2 326.440 2.461 20 30 EEEDLO CCc1oncc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033467203 1194606953 /nfs/dbraw/zinc/60/69/53/1194606953.db2.gz ORSNBUDWYJTPIP-INIZCTEOSA-N 1 2 338.411 2.455 20 30 EEEDLO CCc1oncc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033467203 1194606955 /nfs/dbraw/zinc/60/69/55/1194606955.db2.gz ORSNBUDWYJTPIP-INIZCTEOSA-N 1 2 338.411 2.455 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001033496874 1194648089 /nfs/dbraw/zinc/64/80/89/1194648089.db2.gz OXWPAGJCOPXQKE-BQFCYCMXSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001033496874 1194648093 /nfs/dbraw/zinc/64/80/93/1194648093.db2.gz OXWPAGJCOPXQKE-BQFCYCMXSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2NC(=O)c3ccccc32)C1 ZINC001033520666 1194670157 /nfs/dbraw/zinc/67/01/57/1194670157.db2.gz UPSHRUZORYSGLY-BBRMVZONSA-N 1 2 347.846 2.146 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2NC(=O)c3ccccc32)C1 ZINC001033520666 1194670159 /nfs/dbraw/zinc/67/01/59/1194670159.db2.gz UPSHRUZORYSGLY-BBRMVZONSA-N 1 2 347.846 2.146 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001033617244 1194957817 /nfs/dbraw/zinc/95/78/17/1194957817.db2.gz QSVXVVIAUYPPTR-SFHVURJKSA-N 1 2 337.423 2.240 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001033617244 1194957819 /nfs/dbraw/zinc/95/78/19/1194957819.db2.gz QSVXVVIAUYPPTR-SFHVURJKSA-N 1 2 337.423 2.240 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(N(C)C)nc2)C1 ZINC001033882874 1195440507 /nfs/dbraw/zinc/44/05/07/1195440507.db2.gz UNLMNDLIHPMLAI-OAHLLOKOSA-N 1 2 336.867 2.437 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(N(C)C)nc2)C1 ZINC001033882874 1195440511 /nfs/dbraw/zinc/44/05/11/1195440511.db2.gz UNLMNDLIHPMLAI-OAHLLOKOSA-N 1 2 336.867 2.437 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H](NC(=O)C(F)F)C2)c(F)c1 ZINC001034064325 1195718324 /nfs/dbraw/zinc/71/83/24/1195718324.db2.gz IMMSLVWWKOEDNJ-ZDUSSCGKSA-N 1 2 325.334 2.433 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)C(F)F)C2)c(F)c1 ZINC001034064325 1195718328 /nfs/dbraw/zinc/71/83/28/1195718328.db2.gz IMMSLVWWKOEDNJ-ZDUSSCGKSA-N 1 2 325.334 2.433 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)c3cnns3)C2)s1 ZINC001034120103 1195804434 /nfs/dbraw/zinc/80/44/34/1195804434.db2.gz DCJBXPNTXUEGNG-LLVKDONJSA-N 1 2 347.469 2.256 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cnns3)C2)s1 ZINC001034120103 1195804438 /nfs/dbraw/zinc/80/44/38/1195804438.db2.gz DCJBXPNTXUEGNG-LLVKDONJSA-N 1 2 347.469 2.256 20 30 EEEDLO C[C@H](c1ncccn1)[N@@H+]1CCCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001034158790 1195847141 /nfs/dbraw/zinc/84/71/41/1195847141.db2.gz CZGVVDVHFARZLL-HIFRSBDPSA-N 1 2 338.415 2.022 20 30 EEEDLO C[C@H](c1ncccn1)[N@H+]1CCCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001034158790 1195847143 /nfs/dbraw/zinc/84/71/43/1195847143.db2.gz CZGVVDVHFARZLL-HIFRSBDPSA-N 1 2 338.415 2.022 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)C2CC(OC)C2)CC1 ZINC001005550717 1196248365 /nfs/dbraw/zinc/24/83/65/1196248365.db2.gz XYCWLDWNOFABTM-UHFFFAOYSA-N 1 2 345.281 2.243 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](Cc3nccs3)C2)nc1 ZINC001034492238 1196281989 /nfs/dbraw/zinc/28/19/89/1196281989.db2.gz ARPRUYSOORWYPV-HNNXBMFYSA-N 1 2 340.452 2.304 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](Cc3nccs3)C2)nc1 ZINC001034492238 1196281992 /nfs/dbraw/zinc/28/19/92/1196281992.db2.gz ARPRUYSOORWYPV-HNNXBMFYSA-N 1 2 340.452 2.304 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001078970476 1196435662 /nfs/dbraw/zinc/43/56/62/1196435662.db2.gz VKFPHDQSKPOFDD-INIZCTEOSA-N 1 2 346.475 2.394 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(c3cccnc3)CCCC2)C1 ZINC001108163475 1196773548 /nfs/dbraw/zinc/77/35/48/1196773548.db2.gz JYCVFJGECJTFMO-IBGZPJMESA-N 1 2 343.471 2.287 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(c3cccnc3)CCCC2)C1 ZINC001108163475 1196773550 /nfs/dbraw/zinc/77/35/50/1196773550.db2.gz JYCVFJGECJTFMO-IBGZPJMESA-N 1 2 343.471 2.287 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCOc2ccccc21 ZINC001018182229 1224434600 /nfs/dbraw/zinc/43/46/00/1224434600.db2.gz YUXXQRHLPALGEF-FVJLSDCUSA-N 1 2 338.451 2.425 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCOc2ccccc21 ZINC001018182229 1224434604 /nfs/dbraw/zinc/43/46/04/1224434604.db2.gz YUXXQRHLPALGEF-FVJLSDCUSA-N 1 2 338.451 2.425 20 30 EEEDLO C[C@H]1CCSCC[N@@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000794570487 1197931500 /nfs/dbraw/zinc/93/15/00/1197931500.db2.gz JXKZDDXCETXSOJ-ZDUSSCGKSA-N 1 2 328.441 2.247 20 30 EEEDLO C[C@H]1CCSCC[N@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000794570487 1197931503 /nfs/dbraw/zinc/93/15/03/1197931503.db2.gz JXKZDDXCETXSOJ-ZDUSSCGKSA-N 1 2 328.441 2.247 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC001014864807 1224462645 /nfs/dbraw/zinc/46/26/45/1224462645.db2.gz SZZDNDPMVPNJEZ-SFHVURJKSA-N 1 2 348.450 2.075 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC001014864807 1224462648 /nfs/dbraw/zinc/46/26/48/1224462648.db2.gz SZZDNDPMVPNJEZ-SFHVURJKSA-N 1 2 348.450 2.075 20 30 EEEDLO C#CCCS(=O)(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000872573654 1198253881 /nfs/dbraw/zinc/25/38/81/1198253881.db2.gz IQIBEKXNZUNDKL-UHFFFAOYSA-N 1 2 343.452 2.031 20 30 EEEDLO N#CC[C@@H]1CCC[N@@H+](CN2CC3(CC2=O)CCC2(CC3)OCCO2)C1 ZINC000872624004 1198287854 /nfs/dbraw/zinc/28/78/54/1198287854.db2.gz FUBHDWRDYURALT-INIZCTEOSA-N 1 2 347.459 2.105 20 30 EEEDLO N#CC[C@@H]1CCC[N@H+](CN2CC3(CC2=O)CCC2(CC3)OCCO2)C1 ZINC000872624004 1198287859 /nfs/dbraw/zinc/28/78/59/1198287859.db2.gz FUBHDWRDYURALT-INIZCTEOSA-N 1 2 347.459 2.105 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2csnc2OC)C1 ZINC001131996581 1199182618 /nfs/dbraw/zinc/18/26/18/1199182618.db2.gz VUDZVMYYCSIRJQ-DZGCQCFKSA-N 1 2 335.473 2.424 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2csnc2OC)C1 ZINC001131996581 1199182619 /nfs/dbraw/zinc/18/26/19/1199182619.db2.gz VUDZVMYYCSIRJQ-DZGCQCFKSA-N 1 2 335.473 2.424 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132235624 1199482170 /nfs/dbraw/zinc/48/21/70/1199482170.db2.gz QQZKGFPPBOGHLF-DLBZAZTESA-N 1 2 349.519 2.311 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132235624 1199482173 /nfs/dbraw/zinc/48/21/73/1199482173.db2.gz QQZKGFPPBOGHLF-DLBZAZTESA-N 1 2 349.519 2.311 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=O)NCCCC)C2)C1 ZINC001132274413 1199523383 /nfs/dbraw/zinc/52/33/83/1199523383.db2.gz TVDDRUMOBBWCNH-JKSUJKDBSA-N 1 2 335.492 2.228 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(=O)NCCCC)C2)C1 ZINC001132274413 1199523385 /nfs/dbraw/zinc/52/33/85/1199523385.db2.gz TVDDRUMOBBWCNH-JKSUJKDBSA-N 1 2 335.492 2.228 20 30 EEEDLO C=C(C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nsc(N(C)C)n1 ZINC001134469467 1199588351 /nfs/dbraw/zinc/58/83/51/1199588351.db2.gz CPRBUBOSTRXKTE-QWHCGFSZSA-N 1 2 339.509 2.333 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nsc(N(C)C)n1 ZINC001134469468 1199588681 /nfs/dbraw/zinc/58/86/81/1199588681.db2.gz CPRBUBOSTRXKTE-STQMWFEESA-N 1 2 339.509 2.333 20 30 EEEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2scnc2C2CC2)CC[C@@H]1C ZINC001132340179 1199601724 /nfs/dbraw/zinc/60/17/24/1199601724.db2.gz 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C=CCCOCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001132529552 1199826153 /nfs/dbraw/zinc/82/61/53/1199826153.db2.gz OCFSTYHRTVMYEB-XJKSGUPXSA-N 1 2 335.448 2.353 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+]Cc1nc(Cc2ccccc2)no1 ZINC001132671373 1199919481 /nfs/dbraw/zinc/91/94/81/1199919481.db2.gz PPZADMNGKOFSFR-HNNXBMFYSA-N 1 2 342.443 2.469 20 30 EEEDLO N#Cc1cc(F)ccc1N1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000877747187 1200072357 /nfs/dbraw/zinc/07/23/57/1200072357.db2.gz WXKMRINORGGEBG-UHFFFAOYSA-N 1 2 325.391 2.162 20 30 EEEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)c2cccc(CC#N)c2)c1C ZINC000795088785 1200146821 /nfs/dbraw/zinc/14/68/21/1200146821.db2.gz NCKJUPRUEDLVQA-UHFFFAOYSA-N 1 2 345.424 2.252 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N(C)C)c(F)c1 ZINC001018313870 1224598251 /nfs/dbraw/zinc/59/82/51/1224598251.db2.gz PGOGDCMBSMZTAE-IYBDPMFKSA-N 1 2 329.419 2.204 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N(C)C)c(F)c1 ZINC001018313870 1224598254 /nfs/dbraw/zinc/59/82/54/1224598254.db2.gz PGOGDCMBSMZTAE-IYBDPMFKSA-N 1 2 329.419 2.204 20 30 EEEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC000878200242 1200318222 /nfs/dbraw/zinc/31/82/22/1200318222.db2.gz IVJUXDCFAOFQEX-FQEVSTJZSA-N 1 2 342.439 2.308 20 30 EEEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC000878200242 1200318228 /nfs/dbraw/zinc/31/82/28/1200318228.db2.gz IVJUXDCFAOFQEX-FQEVSTJZSA-N 1 2 342.439 2.308 20 30 EEEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCC(=O)NCc1ccccc1 ZINC000106067463 1201071825 /nfs/dbraw/zinc/07/18/25/1201071825.db2.gz RKAUPQQOULKOKB-UHFFFAOYSA-N 1 2 331.803 2.488 20 30 EEEDLO N#Cc1cc(F)ccc1N1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000879590381 1201161547 /nfs/dbraw/zinc/16/15/47/1201161547.db2.gz AHUYFYURPFIDHZ-UHFFFAOYSA-N 1 2 333.798 2.369 20 30 EEEDLO CC(C)[C@@H](C(=O)Nc1cccc(CC#N)n1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000882477037 1201877665 /nfs/dbraw/zinc/87/76/65/1201877665.db2.gz LTRHMGGHYDJEQS-CPUCHLNUSA-N 1 2 330.432 2.220 20 30 EEEDLO CC(C)(CC#N)CS(=O)(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882837858 1201954480 /nfs/dbraw/zinc/95/44/80/1201954480.db2.gz RUKCQJWBQDDZGS-MRXNPFEDSA-N 1 2 346.456 2.484 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H]2C)CC1 ZINC001015171242 1224856121 /nfs/dbraw/zinc/85/61/21/1224856121.db2.gz AUHCQOLEXZYCNS-GDBMZVCRSA-N 1 2 344.459 2.194 20 30 EEEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001274228228 1204917999 /nfs/dbraw/zinc/91/79/99/1204917999.db2.gz PSDAITODQCJGIU-CQSZACIVSA-N 1 2 332.831 2.397 20 30 EEEDLO N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc3ccccn3n2)C1=O ZINC001274263862 1204980845 /nfs/dbraw/zinc/98/08/45/1204980845.db2.gz KLLXSTXPJIAZEJ-IBGZPJMESA-N 1 2 337.427 2.205 20 30 EEEDLO N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2cc3ccccn3n2)C1=O ZINC001274263862 1204980847 /nfs/dbraw/zinc/98/08/47/1204980847.db2.gz KLLXSTXPJIAZEJ-IBGZPJMESA-N 1 2 337.427 2.205 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(C#N)c(F)cc1F ZINC001274314717 1204994758 /nfs/dbraw/zinc/99/47/58/1204994758.db2.gz MKRSUUMENIVRNE-IBGZPJMESA-N 1 2 343.377 2.427 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C#N)c(F)cc1F ZINC001274314717 1204994759 /nfs/dbraw/zinc/99/47/59/1204994759.db2.gz MKRSUUMENIVRNE-IBGZPJMESA-N 1 2 343.377 2.427 20 30 EEEDLO Cc1nnc(C[NH+]2CCC3(CCC(=O)N(CCCC#N)C3)CC2)s1 ZINC001274522940 1205067770 /nfs/dbraw/zinc/06/77/70/1205067770.db2.gz CBVSGKVUNQSQAV-UHFFFAOYSA-N 1 2 347.488 2.355 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)ccc1C#N ZINC001274774615 1205159331 /nfs/dbraw/zinc/15/93/31/1205159331.db2.gz UVSCORYDXZVTNB-LJQANCHMSA-N 1 2 325.387 2.288 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001274774615 1205159332 /nfs/dbraw/zinc/15/93/32/1205159332.db2.gz UVSCORYDXZVTNB-LJQANCHMSA-N 1 2 325.387 2.288 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@H]3CN(Cc4cc(C#N)n(C)c4)C[C@H]32)s1 ZINC001275393044 1205336162 /nfs/dbraw/zinc/33/61/62/1205336162.db2.gz AOBCHUJRALCLEW-DOTOQJQBSA-N 1 2 341.484 2.368 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@H]3CN(Cc4cc(C#N)n(C)c4)C[C@H]32)s1 ZINC001275393044 1205336165 /nfs/dbraw/zinc/33/61/65/1205336165.db2.gz AOBCHUJRALCLEW-DOTOQJQBSA-N 1 2 341.484 2.368 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(CC)n1 ZINC001110928867 1206296451 /nfs/dbraw/zinc/29/64/51/1206296451.db2.gz JAUBOHPRSGRXPK-KURKYZTESA-N 1 2 328.460 2.318 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(CC)n1 ZINC001110928867 1206296452 /nfs/dbraw/zinc/29/64/52/1206296452.db2.gz JAUBOHPRSGRXPK-KURKYZTESA-N 1 2 328.460 2.318 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C(C)C ZINC001110964555 1206459224 /nfs/dbraw/zinc/45/92/24/1206459224.db2.gz QCYCRDLEYORZJY-HZMVEIRTSA-N 1 2 335.492 2.225 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C(C)C ZINC001110964555 1206459225 /nfs/dbraw/zinc/45/92/25/1206459225.db2.gz QCYCRDLEYORZJY-HZMVEIRTSA-N 1 2 335.492 2.225 20 30 EEEDLO 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WMGURSKFTBOKGB-CRAIPNDOSA-N 1 2 337.427 2.226 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnn(CCF)c2)C1 ZINC000967064564 1220241876 /nfs/dbraw/zinc/24/18/76/1220241876.db2.gz UUWDODBVEHMVDH-BXUZGUMPSA-N 1 2 328.819 2.045 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnn(CCF)c2)C1 ZINC000967064564 1220241879 /nfs/dbraw/zinc/24/18/79/1220241879.db2.gz UUWDODBVEHMVDH-BXUZGUMPSA-N 1 2 328.819 2.045 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000967157328 1220320462 /nfs/dbraw/zinc/32/04/62/1220320462.db2.gz VXSICKVPLLNOOP-OAHLLOKOSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2c(C)nn(C)c2C)C1 ZINC000967521062 1220594035 /nfs/dbraw/zinc/59/40/35/1220594035.db2.gz FIKSUDHIBHQHQO-BDJLRTHQSA-N 1 2 338.883 2.159 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2c(C)nn(C)c2C)C1 ZINC000967521062 1220594038 /nfs/dbraw/zinc/59/40/38/1220594038.db2.gz FIKSUDHIBHQHQO-BDJLRTHQSA-N 1 2 338.883 2.159 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC(N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000968113587 1221057818 /nfs/dbraw/zinc/05/78/18/1221057818.db2.gz DHKPFWFZFKIAIU-UHFFFAOYSA-N 1 2 340.427 2.448 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cn(C(C)C)nn2)C1 ZINC000968483265 1221340821 /nfs/dbraw/zinc/34/08/21/1221340821.db2.gz FRGLSQILUZKDDP-WCQYABFASA-N 1 2 325.844 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cn(C(C)C)nn2)C1 ZINC000968483265 1221340824 /nfs/dbraw/zinc/34/08/24/1221340824.db2.gz FRGLSQILUZKDDP-WCQYABFASA-N 1 2 325.844 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnn3ccc(C)nc23)C1 ZINC000968557144 1221401018 /nfs/dbraw/zinc/40/10/18/1221401018.db2.gz KLOUDINSNCMPIY-ABAIWWIYSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnn3ccc(C)nc23)C1 ZINC000968557144 1221401022 /nfs/dbraw/zinc/40/10/22/1221401022.db2.gz KLOUDINSNCMPIY-ABAIWWIYSA-N 1 2 347.850 2.230 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCCCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)o1 ZINC000968816194 1221595400 /nfs/dbraw/zinc/59/54/00/1221595400.db2.gz PAXWBHPHMSHANW-MRXNPFEDSA-N 1 2 341.415 2.357 20 30 EEEDLO Cc1cnc(C[N@H+]2CCCCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)o1 ZINC000968816194 1221595402 /nfs/dbraw/zinc/59/54/02/1221595402.db2.gz PAXWBHPHMSHANW-MRXNPFEDSA-N 1 2 341.415 2.357 20 30 EEEDLO C#CCCCCC(=O)N[C@H](C)CCCNc1[nH+]cnc2c1cnn2C ZINC001114929904 1221679809 /nfs/dbraw/zinc/67/98/09/1221679809.db2.gz LJEMUZCOQWTIQZ-CQSZACIVSA-N 1 2 342.447 2.254 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)C2CCOCC2)C1 ZINC001006548774 1221832516 /nfs/dbraw/zinc/83/25/16/1221832516.db2.gz VSTSDRIHYJXWSE-SFHVURJKSA-N 1 2 327.428 2.065 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)C2CCOCC2)C1 ZINC001006548774 1221832522 /nfs/dbraw/zinc/83/25/22/1221832522.db2.gz VSTSDRIHYJXWSE-SFHVURJKSA-N 1 2 327.428 2.065 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccccn3)C2)c(F)c1 ZINC001006569359 1221840214 /nfs/dbraw/zinc/84/02/14/1221840214.db2.gz CRLILYGDVZLPGT-INIZCTEOSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccccn3)C2)c(F)c1 ZINC001006569359 1221840218 /nfs/dbraw/zinc/84/02/18/1221840218.db2.gz CRLILYGDVZLPGT-INIZCTEOSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCCOC3)C2)ccc1F ZINC001006877282 1221994671 /nfs/dbraw/zinc/99/46/71/1221994671.db2.gz DMWXRZAEMVMDSO-WBVHZDCISA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CCCOC3)C2)ccc1F ZINC001006877282 1221994679 /nfs/dbraw/zinc/99/46/79/1221994679.db2.gz DMWXRZAEMVMDSO-WBVHZDCISA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)C3=COCCC3)C2)c1 ZINC001006893424 1222001040 /nfs/dbraw/zinc/00/10/40/1222001040.db2.gz VIWBJMNGFDCSJH-QGZVFWFLSA-N 1 2 343.402 2.472 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)C3=COCCC3)C2)c1 ZINC001006893424 1222001041 /nfs/dbraw/zinc/00/10/41/1222001041.db2.gz VIWBJMNGFDCSJH-QGZVFWFLSA-N 1 2 343.402 2.472 20 30 EEEDLO Cc1cc(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)no1 ZINC001006950735 1222031503 /nfs/dbraw/zinc/03/15/03/1222031503.db2.gz MNZOZABAIZOXKQ-QGZVFWFLSA-N 1 2 338.411 2.178 20 30 EEEDLO Cc1cc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)no1 ZINC001006950735 1222031505 /nfs/dbraw/zinc/03/15/05/1222031505.db2.gz MNZOZABAIZOXKQ-QGZVFWFLSA-N 1 2 338.411 2.178 20 30 EEEDLO Cc1ncoc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001007014666 1222062866 /nfs/dbraw/zinc/06/28/66/1222062866.db2.gz STQALHUTWFIIKD-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ncoc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001007014666 1222062870 /nfs/dbraw/zinc/06/28/70/1222062870.db2.gz STQALHUTWFIIKD-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ncoc1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001007017266 1222063094 /nfs/dbraw/zinc/06/30/94/1222063094.db2.gz ZPQWSZSATLXWEJ-KRWDZBQOSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1ncoc1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001007017266 1222063100 /nfs/dbraw/zinc/06/31/00/1222063100.db2.gz ZPQWSZSATLXWEJ-KRWDZBQOSA-N 1 2 341.386 2.368 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)CC)C1 ZINC001007405117 1222211010 /nfs/dbraw/zinc/21/10/10/1222211010.db2.gz OZQIMZZCFOOTSF-CABCVRRESA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)CC)C1 ZINC001007405117 1222211014 /nfs/dbraw/zinc/21/10/14/1222211014.db2.gz OZQIMZZCFOOTSF-CABCVRRESA-N 1 2 341.883 2.111 20 30 EEEDLO COc1cc(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)ccn1 ZINC001007745162 1222394947 /nfs/dbraw/zinc/39/49/47/1222394947.db2.gz KQVPNQARWOQIQL-IBGZPJMESA-N 1 2 349.434 2.336 20 30 EEEDLO COc1cc(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)ccn1 ZINC001007745162 1222394953 /nfs/dbraw/zinc/39/49/53/1222394953.db2.gz KQVPNQARWOQIQL-IBGZPJMESA-N 1 2 349.434 2.336 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CCN(CC(F)F)CC2)C1 ZINC001008317360 1222758073 /nfs/dbraw/zinc/75/80/73/1222758073.db2.gz QDWKMGBFARSDLT-CQSZACIVSA-N 1 2 349.853 2.297 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CCN(CC(F)F)CC2)C1 ZINC001008317360 1222758075 /nfs/dbraw/zinc/75/80/75/1222758075.db2.gz QDWKMGBFARSDLT-CQSZACIVSA-N 1 2 349.853 2.297 20 30 EEEDLO CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CCOCC1 ZINC001008880820 1223065699 /nfs/dbraw/zinc/06/56/99/1223065699.db2.gz KSYJOKSBSGNCQL-GOSISDBHSA-N 1 2 341.455 2.456 20 30 EEEDLO CC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CCOCC1 ZINC001008880820 1223065702 /nfs/dbraw/zinc/06/57/02/1223065702.db2.gz KSYJOKSBSGNCQL-GOSISDBHSA-N 1 2 341.455 2.456 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnn3cccc(OC)c23)C1 ZINC001008899928 1223073738 /nfs/dbraw/zinc/07/37/38/1223073738.db2.gz LQDLEFOGTVJLLC-CYBMUJFWSA-N 1 2 348.834 2.290 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn3cccc(OC)c23)C1 ZINC001008899928 1223073741 /nfs/dbraw/zinc/07/37/41/1223073741.db2.gz LQDLEFOGTVJLLC-CYBMUJFWSA-N 1 2 348.834 2.290 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)c(C)n1 ZINC001008905154 1223076040 /nfs/dbraw/zinc/07/60/40/1223076040.db2.gz KMVZJSZMCGPSDQ-SFHVURJKSA-N 1 2 349.438 2.360 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)c(C)n1 ZINC001008905154 1223076044 /nfs/dbraw/zinc/07/60/44/1223076044.db2.gz KMVZJSZMCGPSDQ-SFHVURJKSA-N 1 2 349.438 2.360 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)c3cnc(C)cn3)C2)cn1 ZINC001009276527 1223196802 /nfs/dbraw/zinc/19/68/02/1223196802.db2.gz OUYLWPGLWOIARL-QAPCUYQASA-N 1 2 349.438 2.117 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H](C)c3cnc(C)cn3)C2)cn1 ZINC001009276527 1223196805 /nfs/dbraw/zinc/19/68/05/1223196805.db2.gz OUYLWPGLWOIARL-QAPCUYQASA-N 1 2 349.438 2.117 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)n1C ZINC001010169595 1223585801 /nfs/dbraw/zinc/58/58/01/1223585801.db2.gz QIFVQXORZBPOSA-MRXNPFEDSA-N 1 2 340.402 2.349 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)n1C ZINC001010169595 1223585804 /nfs/dbraw/zinc/58/58/04/1223585804.db2.gz QIFVQXORZBPOSA-MRXNPFEDSA-N 1 2 340.402 2.349 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)cn1 ZINC001010173831 1223587486 /nfs/dbraw/zinc/58/74/86/1223587486.db2.gz COUAWOMEVBKVCW-KRWDZBQOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)cn1 ZINC001010173831 1223587487 /nfs/dbraw/zinc/58/74/87/1223587487.db2.gz COUAWOMEVBKVCW-KRWDZBQOSA-N 1 2 338.386 2.405 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)c1cnsn1 ZINC001010330934 1223665430 /nfs/dbraw/zinc/66/54/30/1223665430.db2.gz QHXBCCWLUOFHPH-CQSZACIVSA-N 1 2 346.843 2.047 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)c1cnsn1 ZINC001010330934 1223665433 /nfs/dbraw/zinc/66/54/33/1223665433.db2.gz QHXBCCWLUOFHPH-CQSZACIVSA-N 1 2 346.843 2.047 20 30 EEEDLO Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001010420516 1223712742 /nfs/dbraw/zinc/71/27/42/1223712742.db2.gz AGQZLXXKGJZWSN-QGZVFWFLSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001010420516 1223712745 /nfs/dbraw/zinc/71/27/45/1223712745.db2.gz AGQZLXXKGJZWSN-QGZVFWFLSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1[nH]ccc1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010501257 1223750524 /nfs/dbraw/zinc/75/05/24/1223750524.db2.gz SKYFNOLDTBHSFX-OAHLLOKOSA-N 1 2 326.375 2.338 20 30 EEEDLO Cc1[nH]ccc1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010501257 1223750526 /nfs/dbraw/zinc/75/05/26/1223750526.db2.gz SKYFNOLDTBHSFX-OAHLLOKOSA-N 1 2 326.375 2.338 20 30 EEEDLO C=CCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001066986458 1223949540 /nfs/dbraw/zinc/94/95/40/1223949540.db2.gz DVVCGPOTHDLNEE-CQSZACIVSA-N 1 2 332.448 2.103 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC001014331116 1226496177 /nfs/dbraw/zinc/49/61/77/1226496177.db2.gz SXVRYMORHRBPDC-KFKAGJAMSA-N 1 2 344.459 2.125 20 30 EEEDLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)c(C2CC2)n1 ZINC001014583511 1226807389 /nfs/dbraw/zinc/80/73/89/1226807389.db2.gz UKRQLGZZUACZMR-GOSISDBHSA-N 1 2 348.450 2.153 20 30 EEEDLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c(C2CC2)n1 ZINC001014583511 1226807394 /nfs/dbraw/zinc/80/73/94/1226807394.db2.gz UKRQLGZZUACZMR-GOSISDBHSA-N 1 2 348.450 2.153 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccns3)C2)cc1C#N ZINC001014603744 1226831093 /nfs/dbraw/zinc/83/10/93/1226831093.db2.gz IDFGZCNOPWZAGX-CQSZACIVSA-N 1 2 342.424 2.028 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccns3)C2)cc1C#N ZINC001014603744 1226831100 /nfs/dbraw/zinc/83/11/00/1226831100.db2.gz IDFGZCNOPWZAGX-CQSZACIVSA-N 1 2 342.424 2.028 20 30 EEEDLO C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH]ncc21 ZINC001017554538 1227516312 /nfs/dbraw/zinc/51/63/12/1227516312.db2.gz CLQVKIFQURUNHZ-XHSDSOJGSA-N 1 2 328.460 2.471 20 30 EEEDLO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH]ncc21 ZINC001017554538 1227516320 /nfs/dbraw/zinc/51/63/20/1227516320.db2.gz CLQVKIFQURUNHZ-XHSDSOJGSA-N 1 2 328.460 2.471 20 30 EEEDLO 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1229911124 /nfs/dbraw/zinc/91/11/24/1229911124.db2.gz GHVWLHGSWCHWOK-QGZVFWFLSA-N 1 2 337.427 2.340 20 30 EEEDLO CC(C)n1cnc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)c1 ZINC001038550555 1229911127 /nfs/dbraw/zinc/91/11/27/1229911127.db2.gz GHVWLHGSWCHWOK-QGZVFWFLSA-N 1 2 337.427 2.340 20 30 EEEDLO N#CCOc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2nccs2)cc1 ZINC001038843942 1230104046 /nfs/dbraw/zinc/10/40/46/1230104046.db2.gz CNWDZGYLHXBQLR-AWEZNQCLSA-N 1 2 342.424 2.050 20 30 EEEDLO N#CCOc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2nccs2)cc1 ZINC001038843942 1230104048 /nfs/dbraw/zinc/10/40/48/1230104048.db2.gz CNWDZGYLHXBQLR-AWEZNQCLSA-N 1 2 342.424 2.050 20 30 EEEDLO Cc1cc(=O)[nH]c(C)c1C(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001039036660 1230253901 /nfs/dbraw/zinc/25/39/01/1230253901.db2.gz UGFVMCKHJCXEST-SFHVURJKSA-N 1 2 349.434 2.260 20 30 EEEDLO Cc1cc(=O)[nH]c(C)c1C(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001039036660 1230253904 /nfs/dbraw/zinc/25/39/04/1230253904.db2.gz UGFVMCKHJCXEST-SFHVURJKSA-N 1 2 349.434 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C=CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(-c4nnc[nH]4)c3)C2)C1 ZINC001041531126 1231584050 /nfs/dbraw/zinc/58/40/50/1231584050.db2.gz DKXQTBJZFSNSSR-LJQANCHMSA-N 1 2 337.427 2.196 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@@H+](Cc3cn(C(C)C)nn3)C2)C1 ZINC001041542010 1231588291 /nfs/dbraw/zinc/58/82/91/1231588291.db2.gz AVTFFCYDQMHXHN-IBGZPJMESA-N 1 2 345.491 2.496 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@H+](Cc3cn(C(C)C)nn3)C2)C1 ZINC001041542010 1231588292 /nfs/dbraw/zinc/58/82/92/1231588292.db2.gz AVTFFCYDQMHXHN-IBGZPJMESA-N 1 2 345.491 2.496 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)s3)[C@@H]2C1 ZINC001042184462 1231942692 /nfs/dbraw/zinc/94/26/92/1231942692.db2.gz WRIHCNKUVSBLHR-ZIAGYGMSSA-N 1 2 334.489 2.482 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)s3)[C@@H]2C1 ZINC001042184462 1231942693 /nfs/dbraw/zinc/94/26/93/1231942693.db2.gz WRIHCNKUVSBLHR-ZIAGYGMSSA-N 1 2 334.489 2.482 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@H+](Cc4cnns4)[C@@H]3C2)C1 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SCSNYLCDNYLOJO-UHFFFAOYSA-N 1 2 341.390 2.205 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nccn2C)C1 ZINC001045844365 1234060326 /nfs/dbraw/zinc/06/03/26/1234060326.db2.gz LBNWZHAAMKMJJC-CVEARBPZSA-N 1 2 328.460 2.342 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2nccn2C)C1 ZINC001045844365 1234060330 /nfs/dbraw/zinc/06/03/30/1234060330.db2.gz LBNWZHAAMKMJJC-CVEARBPZSA-N 1 2 328.460 2.342 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3cscn3)C2)CC1 ZINC001046049586 1234374834 /nfs/dbraw/zinc/37/48/34/1234374834.db2.gz SETDCMRRFLYABD-MRXNPFEDSA-N 1 2 348.516 2.074 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3cscn3)C2)CC1 ZINC001046049586 1234374838 /nfs/dbraw/zinc/37/48/38/1234374838.db2.gz SETDCMRRFLYABD-MRXNPFEDSA-N 1 2 348.516 2.074 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(Cc3cscn3)C2)CC1 ZINC001046049586 1234374843 /nfs/dbraw/zinc/37/48/43/1234374843.db2.gz SETDCMRRFLYABD-MRXNPFEDSA-N 1 2 348.516 2.074 20 30 EEEDLO 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1234594593 /nfs/dbraw/zinc/59/45/93/1234594593.db2.gz BOXFKHLCCIVWFE-QGZVFWFLSA-N 1 2 343.818 2.329 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](Cc3cc4n(n3)CCC4)C2)cc1 ZINC001046533473 1234914509 /nfs/dbraw/zinc/91/45/09/1234914509.db2.gz NVNMXCNMRAWNJU-NRFANRHFSA-N 1 2 348.450 2.205 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cc4n(n3)CCC4)C2)cc1 ZINC001046533473 1234914512 /nfs/dbraw/zinc/91/45/12/1234914512.db2.gz NVNMXCNMRAWNJU-NRFANRHFSA-N 1 2 348.450 2.205 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](Cc3csc(C)n3)C2)cn1 ZINC001046779918 1235177692 /nfs/dbraw/zinc/17/76/92/1235177692.db2.gz XXWTVDDWUSGTRN-GOSISDBHSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](Cc3csc(C)n3)C2)cn1 ZINC001046779918 1235177694 /nfs/dbraw/zinc/17/76/94/1235177694.db2.gz XXWTVDDWUSGTRN-GOSISDBHSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ncc(C)s3)C2)cn1 ZINC001046781405 1235179781 /nfs/dbraw/zinc/17/97/81/1235179781.db2.gz IHCKKGUDGGLQSF-GOSISDBHSA-N 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/nfs/dbraw/zinc/16/49/16/1398164916.db2.gz VFNGIFPNHTVPGU-MRXNPFEDSA-N 1 2 349.862 2.140 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CNC(=O)c1ccccc1 ZINC001402739439 1398164923 /nfs/dbraw/zinc/16/49/23/1398164923.db2.gz VFNGIFPNHTVPGU-MRXNPFEDSA-N 1 2 349.862 2.140 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ncnn1CCC ZINC001754861559 1406965667 /nfs/dbraw/zinc/96/56/67/1406965667.db2.gz GDNQOUVFXLZZDN-JKSUJKDBSA-N 1 2 331.464 2.220 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ncnn1CCC ZINC001754861559 1406965676 /nfs/dbraw/zinc/96/56/76/1406965676.db2.gz GDNQOUVFXLZZDN-JKSUJKDBSA-N 1 2 331.464 2.220 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)COc2ccc(F)cc2)C1 ZINC001403332886 1399771684 /nfs/dbraw/zinc/77/16/84/1399771684.db2.gz RIMQOVGNBXWXME-GFCCVEGCSA-N 1 2 326.799 2.394 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1COC2(C[NH+](C[C@H]3CCCCO3)C2)C1 ZINC001755062296 1407072119 /nfs/dbraw/zinc/07/21/19/1407072119.db2.gz XGGONVSXWIBNFB-HZPDHXFCSA-N 1 2 336.476 2.117 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccccc1-n1ccnn1 ZINC001422600762 1400068993 /nfs/dbraw/zinc/06/89/93/1400068993.db2.gz IEMIKSJHTWGJLP-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccccc1-n1ccnn1 ZINC001422600762 1400069002 /nfs/dbraw/zinc/06/90/02/1400069002.db2.gz IEMIKSJHTWGJLP-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C[C@H](C[N@H+](C)Cc1noc2c1CCCC2)NC(=O)c1cc(C#N)c[nH]1 ZINC001422795871 1400202064 /nfs/dbraw/zinc/20/20/64/1400202064.db2.gz KJLFBYUSXAHJPE-GFCCVEGCSA-N 1 2 341.415 2.003 20 30 EEEDLO C[C@H](C[N@@H+](C)Cc1noc2c1CCCC2)NC(=O)c1cc(C#N)c[nH]1 ZINC001422795871 1400202069 /nfs/dbraw/zinc/20/20/69/1400202069.db2.gz KJLFBYUSXAHJPE-GFCCVEGCSA-N 1 2 341.415 2.003 20 30 EEEDLO C#CCCCCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nc(CC(C)C)no2)C1 ZINC001755107774 1407119367 /nfs/dbraw/zinc/11/93/67/1407119367.db2.gz SYXVBHXYXJFWKH-JKSUJKDBSA-N 1 2 346.475 2.398 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CC[N@@H+](Cc2ncc(C)cn2)CC1(C)C ZINC001755143847 1407154911 /nfs/dbraw/zinc/15/49/11/1407154911.db2.gz QRRFJBIUDMXMEV-MRXNPFEDSA-N 1 2 346.475 2.094 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CC[N@H+](Cc2ncc(C)cn2)CC1(C)C ZINC001755143847 1407154913 /nfs/dbraw/zinc/15/49/13/1407154913.db2.gz QRRFJBIUDMXMEV-MRXNPFEDSA-N 1 2 346.475 2.094 20 30 EEEDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)ccc1C#N ZINC001424718116 1401238716 /nfs/dbraw/zinc/23/87/16/1401238716.db2.gz ROHZYDORBFOQDO-MRXNPFEDSA-N 1 2 335.473 2.218 20 30 EEEDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)ccc1C#N ZINC001424718116 1401238721 /nfs/dbraw/zinc/23/87/21/1401238721.db2.gz ROHZYDORBFOQDO-MRXNPFEDSA-N 1 2 335.473 2.218 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)COCc2ncc(C)o2)[C@H]1C ZINC001425919515 1401801916 /nfs/dbraw/zinc/80/19/16/1401801916.db2.gz AXULRVJUDLMOSP-ZIAGYGMSSA-N 1 2 341.839 2.221 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)COCc2ncc(C)o2)[C@H]1C ZINC001425919515 1401801921 /nfs/dbraw/zinc/80/19/21/1401801921.db2.gz AXULRVJUDLMOSP-ZIAGYGMSSA-N 1 2 341.839 2.221 20 30 EEEDLO Cc1noc2ncc(C(=O)NCC[N@@H+](C)Cc3ccccc3C#N)cc12 ZINC001731780653 1405904892 /nfs/dbraw/zinc/90/48/92/1405904892.db2.gz PJIWLTFREPOXPO-UHFFFAOYSA-N 1 2 349.394 2.265 20 30 EEEDLO Cc1noc2ncc(C(=O)NCC[N@H+](C)Cc3ccccc3C#N)cc12 ZINC001731780653 1405904898 /nfs/dbraw/zinc/90/48/98/1405904898.db2.gz PJIWLTFREPOXPO-UHFFFAOYSA-N 1 2 349.394 2.265 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CCC[N@H+](Cc3cnnn3C)[C@H]2C)CCC1 ZINC001755720533 1407779745 /nfs/dbraw/zinc/77/97/45/1407779745.db2.gz FXWKKMSANBEEQB-HOCLYGCPSA-N 1 2 331.464 2.031 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](Cc3cnnn3C)[C@H]2C)CCC1 ZINC001755720533 1407779748 /nfs/dbraw/zinc/77/97/48/1407779748.db2.gz FXWKKMSANBEEQB-HOCLYGCPSA-N 1 2 331.464 2.031 20 30 EEEDLO C=CCC1(C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc2ccon2)CCCC1 ZINC001755807754 1407860777 /nfs/dbraw/zinc/86/07/77/1407860777.db2.gz KCHWDZPAPBJGFJ-INIZCTEOSA-N 1 2 335.448 2.062 20 30 EEEDLO C=CCC1(C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc2ccon2)CCCC1 ZINC001755807754 1407860783 /nfs/dbraw/zinc/86/07/83/1407860783.db2.gz KCHWDZPAPBJGFJ-INIZCTEOSA-N 1 2 335.448 2.062 20 30 EEEDLO COCC[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001755840965 1407890415 /nfs/dbraw/zinc/89/04/15/1407890415.db2.gz SCAKVOGNWBRLKD-PMOLBWCYSA-N 1 2 340.467 2.149 20 30 EEEDLO COCC[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001755840965 1407890419 /nfs/dbraw/zinc/89/04/19/1407890419.db2.gz SCAKVOGNWBRLKD-PMOLBWCYSA-N 1 2 340.467 2.149 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)CC(C)(C)CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001755996672 1408067085 /nfs/dbraw/zinc/06/70/85/1408067085.db2.gz GLDOJCGUGVSXMT-UHFFFAOYSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)CC(C)(C)CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001755996672 1408067091 /nfs/dbraw/zinc/06/70/91/1408067091.db2.gz GLDOJCGUGVSXMT-UHFFFAOYSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001756240003 1408250169 /nfs/dbraw/zinc/25/01/69/1408250169.db2.gz UDJOWTFJJQUCQI-OAHLLOKOSA-N 1 2 344.459 2.006 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@@H]1N(C(=O)C(C)(C)c1c[nH+]c[nH]1)CC2 ZINC001756609672 1409135609 /nfs/dbraw/zinc/13/56/09/1409135609.db2.gz SGRHXWLGVJHFCD-KXBFYZLASA-N 1 2 344.459 2.293 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001756868347 1409421298 /nfs/dbraw/zinc/42/12/98/1409421298.db2.gz QQIHKIGOBAPSHL-DOTOQJQBSA-N 1 2 346.475 2.394 20 30 EEEDLO C=CCCCC(=O)N1C[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)C[C@H]1C ZINC001123310350 1410298547 /nfs/dbraw/zinc/29/85/47/1410298547.db2.gz UVQIBFLSNRBJLE-CABCVRRESA-N 1 2 343.475 2.222 20 30 EEEDLO C=CCCCC(=O)N1C[C@@H](Nc2ncnc3c2C[N@@H+](C)CC3)C[C@H]1C ZINC001123310350 1410298554 /nfs/dbraw/zinc/29/85/54/1410298554.db2.gz UVQIBFLSNRBJLE-CABCVRRESA-N 1 2 343.475 2.222 20 30 EEEDLO N#Cc1cccnc1N[C@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001103639353 1410738875 /nfs/dbraw/zinc/73/88/75/1410738875.db2.gz UOLXEOOEIHEGFB-SHTZXODSSA-N 1 2 338.415 2.148 20 30 EEEDLO CC(C)[C@@H](CCNC(=O)CCc1[nH]cc[nH+]1)Nc1ncccc1C#N ZINC001115316676 1411007550 /nfs/dbraw/zinc/00/75/50/1411007550.db2.gz NUHJIXCSSXKIND-OAHLLOKOSA-N 1 2 340.431 2.252 20 30 EEEDLO Cc1ccc(F)c(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)c1 ZINC001038131714 1411050278 /nfs/dbraw/zinc/05/02/78/1411050278.db2.gz AONSWFOTSDEUTD-HNNXBMFYSA-N 1 2 326.375 2.338 20 30 EEEDLO Cc1ccc(F)c(C[N@H+]2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)c1 ZINC001038131714 1411050283 /nfs/dbraw/zinc/05/02/83/1411050283.db2.gz AONSWFOTSDEUTD-HNNXBMFYSA-N 1 2 326.375 2.338 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2coc(COC)n2)[C@H]1CC ZINC001087779182 782236199 /nfs/dbraw/zinc/23/61/99/782236199.db2.gz OBERLIMZHQMORG-WCQYABFASA-N 1 2 327.812 2.156 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2coc(COC)n2)[C@H]1CC ZINC001087779182 782236203 /nfs/dbraw/zinc/23/62/03/782236203.db2.gz OBERLIMZHQMORG-WCQYABFASA-N 1 2 327.812 2.156 20 30 EEEDLO CCN(CCNC(=O)CSCC#N)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100449068 757686511 /nfs/dbraw/zinc/68/65/11/757686511.db2.gz TZWSOFRMLHYIEY-UHFFFAOYSA-N 1 2 335.477 2.108 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@@H](C)C1 ZINC001112487263 757969512 /nfs/dbraw/zinc/96/95/12/757969512.db2.gz KNLSBMVKDJJWRP-UONOGXRCSA-N 1 2 342.447 2.193 20 30 EEEDLO CC(C)c1noc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H](C)C#N)n1 ZINC001087136056 759349357 /nfs/dbraw/zinc/34/93/57/759349357.db2.gz JKYJYCNNZMIBIO-MCIONIFRSA-N 1 2 333.436 2.069 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(CC)n2)CCO1 ZINC001104345920 759612095 /nfs/dbraw/zinc/61/20/95/759612095.db2.gz ABZBLQFIOALPAZ-OAHLLOKOSA-N 1 2 346.475 2.271 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)NCC1(Nc2ccc(C#N)cn2)CCCC1 ZINC001104401034 760280488 /nfs/dbraw/zinc/28/04/88/760280488.db2.gz OSANDNLAVXAACS-UHFFFAOYSA-N 1 2 338.415 2.068 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N(CCN(C)c1nc(C)[nH+]c(C)c1C)C(C)C ZINC001125589234 760346113 /nfs/dbraw/zinc/34/61/13/760346113.db2.gz OBNZSVBHVDEBJZ-INIZCTEOSA-N 1 2 346.475 2.113 20 30 EEEDLO Cc1cc(N(C)CCCN(C)C(=O)CSCC#N)nc(C2CC2)[nH+]1 ZINC001112044290 765212417 /nfs/dbraw/zinc/21/24/17/765212417.db2.gz MCBYPTRAGFQIOU-UHFFFAOYSA-N 1 2 347.488 2.204 20 30 EEEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)[C@@H](C)C1 ZINC000942555671 782723971 /nfs/dbraw/zinc/72/39/71/782723971.db2.gz NZUCQDKKBKYBSN-BBRMVZONSA-N 1 2 325.416 2.098 20 30 EEEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)[C@@H](C)C1 ZINC000942555671 782723978 /nfs/dbraw/zinc/72/39/78/782723978.db2.gz NZUCQDKKBKYBSN-BBRMVZONSA-N 1 2 325.416 2.098 20 30 EEEDLO CC[C@@H](C(=O)NCc1ccc(OC)c(C#N)c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000918737314 769358591 /nfs/dbraw/zinc/35/85/91/769358591.db2.gz ICKDBFPVUBSBSV-SJORKVTESA-N 1 2 345.443 2.072 20 30 EEEDLO CC[C@@H](C(=O)NCc1ccc(OC)c(C#N)c1)[N@H+]1CCO[C@H](CC)C1 ZINC000918737314 769358599 /nfs/dbraw/zinc/35/85/99/769358599.db2.gz ICKDBFPVUBSBSV-SJORKVTESA-N 1 2 345.443 2.072 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@H](Nc1cc(C)[nH+]c(C(C)C)n1)C(C)C ZINC001105225669 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791180897 /nfs/dbraw/zinc/18/08/97/791180897.db2.gz KVDOWQURMAXDIZ-STQMWFEESA-N 1 2 345.270 2.050 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)n1 ZINC001088910083 791495667 /nfs/dbraw/zinc/49/56/67/791495667.db2.gz RDYMGIAHXVWCFD-WBMJQRKESA-N 1 2 341.390 2.122 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)n1 ZINC001088910083 791495673 /nfs/dbraw/zinc/49/56/73/791495673.db2.gz RDYMGIAHXVWCFD-WBMJQRKESA-N 1 2 341.390 2.122 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2nccs2)[C@@H]1C ZINC001088914110 791512456 /nfs/dbraw/zinc/51/24/56/791512456.db2.gz JRLAWCCGZUPCMC-HOSILWTGSA-N 1 2 335.473 2.203 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nccs2)[C@@H]1C ZINC001088914110 791512467 /nfs/dbraw/zinc/51/24/67/791512467.db2.gz JRLAWCCGZUPCMC-HOSILWTGSA-N 1 2 335.473 2.203 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(C(=O)NC)c2)c1 ZINC000172148850 791555929 /nfs/dbraw/zinc/55/59/29/791555929.db2.gz 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C=C(Cl)C(C)(C)C(=O)N1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC001112885460 807537993 /nfs/dbraw/zinc/53/79/93/807537993.db2.gz YXDWTFUMSHIOFC-LLVKDONJSA-N 1 2 342.789 2.223 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC001113247075 808534098 /nfs/dbraw/zinc/53/40/98/808534098.db2.gz ZCDXFNSGEMQKJL-CQSZACIVSA-N 1 2 328.416 2.469 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001113253535 808573294 /nfs/dbraw/zinc/57/32/94/808573294.db2.gz LZNCGTKBNZOVLM-NEPJUHHUSA-N 1 2 330.436 2.271 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N(C)C1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC001113385599 808854446 /nfs/dbraw/zinc/85/44/46/808854446.db2.gz WHRGUYCKMPSWNP-JMLCCBQJSA-N 1 2 332.448 2.294 20 30 EEEDLO C=C[C@@H](CC(=O)N1CC[NH+](CCn2cccn2)CC1)c1ccccc1 ZINC001113667122 809491583 /nfs/dbraw/zinc/49/15/83/809491583.db2.gz PDSHGUKSFVJDCL-SFHVURJKSA-N 1 2 338.455 2.387 20 30 EEEDLO C=CCCOCC(=O)N1CC[NH+](CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC001113710130 809614245 /nfs/dbraw/zinc/61/42/45/809614245.db2.gz HASMBQOLZINRSQ-ZWKOTPCHSA-N 1 2 338.492 2.319 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2c2ccccc2)c1 ZINC001086608466 809812493 /nfs/dbraw/zinc/81/24/93/809812493.db2.gz JDUCXHNNBPXDEF-RBUKOAKNSA-N 1 2 337.398 2.230 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2c2ccccc2)c1 ZINC001086608466 809812499 /nfs/dbraw/zinc/81/24/99/809812499.db2.gz JDUCXHNNBPXDEF-RBUKOAKNSA-N 1 2 337.398 2.230 20 30 EEEDLO CC(C)OCC(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001113987321 810158683 /nfs/dbraw/zinc/15/86/83/810158683.db2.gz CQANHRARGWCNOP-MNZLEMJZSA-N 1 2 346.858 2.163 20 30 EEEDLO CC(C)OCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001113987321 810158685 /nfs/dbraw/zinc/15/86/85/810158685.db2.gz CQANHRARGWCNOP-MNZLEMJZSA-N 1 2 346.858 2.163 20 30 EEEDLO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793180324 810176901 /nfs/dbraw/zinc/17/69/01/810176901.db2.gz SRSQNKJGUZHNGP-AWEZNQCLSA-N 1 2 326.400 2.362 20 30 EEEDLO CC(C)CCc1nc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)cs1 ZINC001114072378 810279677 /nfs/dbraw/zinc/27/96/77/810279677.db2.gz QUXHGRRDIXGQQL-UTXMOHQDSA-N 1 2 346.500 2.438 20 30 EEEDLO CC(C)CCc1nc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)C#N)cs1 ZINC001114072378 810279685 /nfs/dbraw/zinc/27/96/85/810279685.db2.gz QUXHGRRDIXGQQL-UTXMOHQDSA-N 1 2 346.500 2.438 20 30 EEEDLO CC(C)[C@@H](CCN(C)C(=O)Cn1cc[nH+]c1)Nc1ccc(C#N)cn1 ZINC001114100532 810338628 /nfs/dbraw/zinc/33/86/28/810338628.db2.gz YZPMKHNRQNQALJ-MRXNPFEDSA-N 1 2 340.431 2.135 20 30 EEEDLO CCC[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793607517 810432297 /nfs/dbraw/zinc/43/22/97/810432297.db2.gz QUXOLFPBIWMLDV-ZBFHGGJFSA-N 1 2 328.416 2.012 20 30 EEEDLO CCC[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793607517 810432303 /nfs/dbraw/zinc/43/23/03/810432303.db2.gz QUXOLFPBIWMLDV-ZBFHGGJFSA-N 1 2 328.416 2.012 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[NH2+][C@H](C)c2nc(CC)no2)cc1 ZINC001130371545 811522203 /nfs/dbraw/zinc/52/22/03/811522203.db2.gz YYBMNTYOVAYJTK-CYBMUJFWSA-N 1 2 344.415 2.277 20 30 EEEDLO CC[N@H+](CCNC(=O)[C@H](C)C#N)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC001437586381 1090080397 /nfs/dbraw/zinc/08/03/97/1090080397.db2.gz FGBIECFPAZKREH-KGLIPLIRSA-N 1 2 341.415 2.395 20 30 EEEDLO CC[N@@H+](CCNC(=O)[C@H](C)C#N)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC001437586381 1090080401 /nfs/dbraw/zinc/08/04/01/1090080401.db2.gz FGBIECFPAZKREH-KGLIPLIRSA-N 1 2 341.415 2.395 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ncn(-c2ccccc2)n1 ZINC001445757239 1091599140 /nfs/dbraw/zinc/59/91/40/1091599140.db2.gz VGIVCSILQDPPAR-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ncn(-c2ccccc2)n1 ZINC001445757239 1091599148 /nfs/dbraw/zinc/59/91/48/1091599148.db2.gz VGIVCSILQDPPAR-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(C)nc2n[nH]c(C)c21 ZINC001439388592 1092136594 /nfs/dbraw/zinc/13/65/94/1092136594.db2.gz PHTADBJPGGRQKP-NSHDSACASA-N 1 2 335.839 2.377 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(C)nc2n[nH]c(C)c21 ZINC001439388592 1092136601 /nfs/dbraw/zinc/13/66/01/1092136601.db2.gz PHTADBJPGGRQKP-NSHDSACASA-N 1 2 335.839 2.377 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CN1CCCCCC1=O ZINC001441643108 1095564775 /nfs/dbraw/zinc/56/47/75/1095564775.db2.gz PICDCZSAXKYCHD-HNNXBMFYSA-N 1 2 341.883 2.112 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CN1CCCCCC1=O ZINC001441643108 1095564787 /nfs/dbraw/zinc/56/47/87/1095564787.db2.gz PICDCZSAXKYCHD-HNNXBMFYSA-N 1 2 341.883 2.112 20 30 EEEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)c1cncs1 ZINC001444955058 1100072093 /nfs/dbraw/zinc/07/20/93/1100072093.db2.gz SHZNANFPDHPXCC-UHFFFAOYSA-N 1 2 332.404 2.358 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)c1cncs1 ZINC001444955058 1100072103 /nfs/dbraw/zinc/07/21/03/1100072103.db2.gz SHZNANFPDHPXCC-UHFFFAOYSA-N 1 2 332.404 2.358 20 30 EEEDLO COc1cc([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)ccc1S(C)(=O)=O ZINC001473897372 1110584994 /nfs/dbraw/zinc/58/49/94/1110584994.db2.gz XXGAQVDUTJWOFJ-CHWSQXEVSA-N 1 2 335.429 2.193 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(Cl)s2)C1 ZINC001500757739 1113065224 /nfs/dbraw/zinc/06/52/24/1113065224.db2.gz WIMQKNCPYGIMDX-CYBMUJFWSA-N 1 2 335.256 2.321 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(Cl)s2)C1 ZINC001500757739 1113065229 /nfs/dbraw/zinc/06/52/29/1113065229.db2.gz WIMQKNCPYGIMDX-CYBMUJFWSA-N 1 2 335.256 2.321 20 30 EEEDLO C#C[C@@H](C)N(C)c1nnc(C[NH+]2CCCCC2)n1C[C@H]1CCCCO1 ZINC001519961623 1119117064 /nfs/dbraw/zinc/11/70/64/1119117064.db2.gz SZTXLRJKCIJMEG-IAGOWNOFSA-N 1 2 345.491 2.291 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC001567878527 1124153435 /nfs/dbraw/zinc/15/34/35/1124153435.db2.gz MKKPZXCYNZLZNO-HOTGVXAUSA-N 1 2 347.459 2.031 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC001567878527 1124153436 /nfs/dbraw/zinc/15/34/36/1124153436.db2.gz MKKPZXCYNZLZNO-HOTGVXAUSA-N 1 2 347.459 2.031 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054391008 214235992 /nfs/dbraw/zinc/23/59/92/214235992.db2.gz HVEQFQXHGHAIHM-UHFFFAOYSA-N 1 2 329.444 2.428 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054391008 214235995 /nfs/dbraw/zinc/23/59/95/214235995.db2.gz HVEQFQXHGHAIHM-UHFFFAOYSA-N 1 2 329.444 2.428 20 30 EEEDLO N#Cc1cccc(C[NH+]2CCN(CC(=O)NC3CCCCC3)CC2)c1 ZINC000103145571 219261739 /nfs/dbraw/zinc/26/17/39/219261739.db2.gz IXRVYJKHFFBULJ-UHFFFAOYSA-N 1 2 340.471 2.125 20 30 EEEDLO Cc1nc(C(C)(C)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000329366742 539772380 /nfs/dbraw/zinc/77/23/80/539772380.db2.gz KOZCDDAYVUITEC-UHFFFAOYSA-N 1 2 344.415 2.450 20 30 EEEDLO CCN(C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[C@@H]1CCOC(C)(C)C1 ZINC000329605125 539777862 /nfs/dbraw/zinc/77/78/62/539777862.db2.gz LZVRYQKKJMRDKW-OWCLPIDISA-N 1 2 341.496 2.289 20 30 EEEDLO C=CCc1cc(CNC(=O)CCc2c[nH+]c[nH]2)cc(OC)c1OC ZINC000352796563 539889528 /nfs/dbraw/zinc/88/95/28/539889528.db2.gz NZAKNCSWXJLSDH-UHFFFAOYSA-N 1 2 329.400 2.404 20 30 EEEDLO C=CCc1cc(CNC(=O)CCc2c[nH]c[nH+]2)cc(OC)c1OC ZINC000352796563 539889532 /nfs/dbraw/zinc/88/95/32/539889532.db2.gz NZAKNCSWXJLSDH-UHFFFAOYSA-N 1 2 329.400 2.404 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2cc(Br)cn2C(C)C)CC1 ZINC000037845992 213170933 /nfs/dbraw/zinc/17/09/33/213170933.db2.gz QWNAVBBFBVCJKJ-UHFFFAOYSA-N 1 2 338.249 2.223 20 30 EEEDLO Cc1cc(C#N)cc(N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)n1 ZINC000418936975 239376876 /nfs/dbraw/zinc/37/68/76/239376876.db2.gz CKTMSUXYLYZUJR-SFHVURJKSA-N 1 2 330.432 2.162 20 30 EEEDLO Cn1cc(I)c(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)n1 ZINC000449601843 242574033 /nfs/dbraw/zinc/57/40/33/242574033.db2.gz AXZNUPZCMQQLAN-NXEZZACHSA-N 1 2 344.200 2.197 20 30 EEEDLO C=C[C@H]1CCCCN1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000494723014 247012860 /nfs/dbraw/zinc/01/28/60/247012860.db2.gz TXEQXZYZFMTFRO-INIZCTEOSA-N 1 2 330.432 2.168 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)cc1Cl ZINC000264959225 247087083 /nfs/dbraw/zinc/08/70/83/247087083.db2.gz NJRLLWRHCSOTAO-UHFFFAOYSA-N 1 2 339.848 2.070 20 30 EEEDLO CO[C@H](C)CO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000495383200 247140072 /nfs/dbraw/zinc/14/00/72/247140072.db2.gz ZWWGJMJCJMYANU-GFCCVEGCSA-N 1 2 337.420 2.383 20 30 EEEDLO C#CC[C@H]([NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1)C(=O)OC ZINC000496030229 247278073 /nfs/dbraw/zinc/27/80/73/247278073.db2.gz PYNINNKSKYKSHX-NRXISQOPSA-N 1 2 338.448 2.224 20 30 EEEDLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000007436945 210800747 /nfs/dbraw/zinc/80/07/47/210800747.db2.gz DZRHVDHOXNQHEK-CYBMUJFWSA-N 1 2 349.818 2.425 20 30 EEEDLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000007436945 210800750 /nfs/dbraw/zinc/80/07/50/210800750.db2.gz DZRHVDHOXNQHEK-CYBMUJFWSA-N 1 2 349.818 2.425 20 30 EEEDLO Cc1oc(NC(=O)CN2CCN(C)c3[nH+]cccc32)c(C#N)c1C ZINC000270672807 256159081 /nfs/dbraw/zinc/15/90/81/256159081.db2.gz RVNLVMHTJFTROG-UHFFFAOYSA-N 1 2 325.372 2.058 20 30 EEEDLO CC[C@H](O)C[NH+]1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000119283963 221284135 /nfs/dbraw/zinc/28/41/35/221284135.db2.gz YIRHXBRHCYTHKL-ZDUSSCGKSA-N 1 2 338.249 2.214 20 30 EEEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc(C)[nH+]c1C)c1ccc(F)cc1 ZINC000491453142 533315342 /nfs/dbraw/zinc/31/53/42/533315342.db2.gz PQXJBCUZFHYHIG-HNNXBMFYSA-N 1 2 325.343 2.267 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000194967144 160203283 /nfs/dbraw/zinc/20/32/83/160203283.db2.gz VSYVKCCEQRCRLX-UHFFFAOYSA-N 1 2 341.440 2.166 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000194967144 160203284 /nfs/dbraw/zinc/20/32/84/160203284.db2.gz VSYVKCCEQRCRLX-UHFFFAOYSA-N 1 2 341.440 2.166 20 30 EEEDLO CC1(C)C[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC(C)(C)C1 ZINC000343816012 161170629 /nfs/dbraw/zinc/17/06/29/161170629.db2.gz MBPCALLNNXMGSV-UHFFFAOYSA-N 1 2 335.473 2.485 20 30 EEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](COC(F)F)C2)C1=O ZINC000353010163 162389779 /nfs/dbraw/zinc/38/97/79/162389779.db2.gz UGQPZGIKSQTSHX-JQWIXIFHSA-N 1 2 341.383 2.286 20 30 EEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](COC(F)F)C2)C1=O ZINC000353010163 162389782 /nfs/dbraw/zinc/38/97/82/162389782.db2.gz UGQPZGIKSQTSHX-JQWIXIFHSA-N 1 2 341.383 2.286 20 30 EEEDLO Cc1noc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000355326318 163147126 /nfs/dbraw/zinc/14/71/26/163147126.db2.gz TXTGNRDBZDFMAH-NHYWBVRUSA-N 1 2 325.372 2.096 20 30 EEEDLO COC(=O)[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]1C ZINC000355382032 163169897 /nfs/dbraw/zinc/16/98/97/163169897.db2.gz ZSFYDAPOILNZEO-SWLSCSKDSA-N 1 2 340.383 2.239 20 30 EEEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]1C ZINC000355382032 163169899 /nfs/dbraw/zinc/16/98/99/163169899.db2.gz ZSFYDAPOILNZEO-SWLSCSKDSA-N 1 2 340.383 2.239 20 30 EEEDLO N#Cc1ccc(OC2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C2)cc1 ZINC000359827237 164179524 /nfs/dbraw/zinc/17/95/24/164179524.db2.gz APMXZMPHMPRXEK-UHFFFAOYSA-N 1 2 345.362 2.042 20 30 EEEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360614975 164351790 /nfs/dbraw/zinc/35/17/90/164351790.db2.gz ZQLKZFKYNDNYBZ-UHFFFAOYSA-N 1 2 348.406 2.236 20 30 EEEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360614975 164351792 /nfs/dbraw/zinc/35/17/92/164351792.db2.gz ZQLKZFKYNDNYBZ-UHFFFAOYSA-N 1 2 348.406 2.236 20 30 EEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000332028821 267012381 /nfs/dbraw/zinc/01/23/81/267012381.db2.gz HGDZVQHBRWPRIL-AEFFLSMTSA-N 1 2 340.471 2.375 20 30 EEEDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000516182001 267039524 /nfs/dbraw/zinc/03/95/24/267039524.db2.gz DVPLKISUNKPUMQ-GOSISDBHSA-N 1 2 341.415 2.299 20 30 EEEDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000516182001 267039526 /nfs/dbraw/zinc/03/95/26/267039526.db2.gz DVPLKISUNKPUMQ-GOSISDBHSA-N 1 2 341.415 2.299 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000287068201 267157786 /nfs/dbraw/zinc/15/77/86/267157786.db2.gz MOTSTQIYTKQJHS-CQSZACIVSA-N 1 2 347.434 2.154 20 30 EEEDLO C[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000287842094 267217898 /nfs/dbraw/zinc/21/78/98/267217898.db2.gz LXMGPAGYNWCTAO-NHYWBVRUSA-N 1 2 326.360 2.333 20 30 EEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291678517 268100048 /nfs/dbraw/zinc/10/00/48/268100048.db2.gz GUIBPHOYCZVGKJ-LLVKDONJSA-N 1 2 343.761 2.100 20 30 EEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291678517 268100049 /nfs/dbraw/zinc/10/00/49/268100049.db2.gz GUIBPHOYCZVGKJ-LLVKDONJSA-N 1 2 343.761 2.100 20 30 EEEDLO N#Cc1ccc(N2CCC(Nc3nc[nH+]c(N)c3Cl)CC2)nc1 ZINC000302887380 268107953 /nfs/dbraw/zinc/10/79/53/268107953.db2.gz LXYOEMFIYPTGKZ-UHFFFAOYSA-N 1 2 329.795 2.060 20 30 EEEDLO N#Cc1ccc(N2CCC(Nc3[nH+]cnc(N)c3Cl)CC2)nc1 ZINC000302887380 268107955 /nfs/dbraw/zinc/10/79/55/268107955.db2.gz LXYOEMFIYPTGKZ-UHFFFAOYSA-N 1 2 329.795 2.060 20 30 EEEDLO N#Cc1cccc(-n2ccc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000281550042 268229740 /nfs/dbraw/zinc/22/97/40/268229740.db2.gz JGIAFWADRIEZCK-OAHLLOKOSA-N 1 2 346.394 2.487 20 30 EEEDLO N#Cc1csc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000355182757 268320124 /nfs/dbraw/zinc/32/01/24/268320124.db2.gz FDQNGFPJLAEHAC-FZKQIMNGSA-N 1 2 334.404 2.465 20 30 EEEDLO N#Cc1csc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000355182757 268320125 /nfs/dbraw/zinc/32/01/25/268320125.db2.gz FDQNGFPJLAEHAC-FZKQIMNGSA-N 1 2 334.404 2.465 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCO[C@H]4CCC[C@@H]43)C2=O)cc1 ZINC000279052064 269258597 /nfs/dbraw/zinc/25/85/97/269258597.db2.gz AFWBPJGZDRLIFW-BZSNNMDCSA-N 1 2 325.412 2.307 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCO[C@H]4CCC[C@@H]43)C2=O)cc1 ZINC000279052064 269258599 /nfs/dbraw/zinc/25/85/99/269258599.db2.gz AFWBPJGZDRLIFW-BZSNNMDCSA-N 1 2 325.412 2.307 20 30 EEEDLO Cc1nc(C#N)c(N2CCC(C(=O)Nc3cc[nH+]cc3C)CC2)o1 ZINC000280573072 269374700 /nfs/dbraw/zinc/37/47/00/269374700.db2.gz RKHMPLBRTRJELT-UHFFFAOYSA-N 1 2 325.372 2.413 20 30 EEEDLO C#C[C@@H](C)N(C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000491813573 277699932 /nfs/dbraw/zinc/69/99/32/277699932.db2.gz BALFKYAORUHSBV-AEFFLSMTSA-N 1 2 329.444 2.031 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nccn3C)[C@@H]2CC)cc1 ZINC001087681866 782058900 /nfs/dbraw/zinc/05/89/00/782058900.db2.gz SLANNDMSJVASKC-ZWKOTPCHSA-N 1 2 336.439 2.184 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nccn3C)[C@@H]2CC)cc1 ZINC001087681866 782058909 /nfs/dbraw/zinc/05/89/09/782058909.db2.gz SLANNDMSJVASKC-ZWKOTPCHSA-N 1 2 336.439 2.184 20 30 EEEDLO COC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000560713605 318809942 /nfs/dbraw/zinc/80/99/42/318809942.db2.gz UZMJGRPILXIAFB-HNNXBMFYSA-N 1 2 337.807 2.327 20 30 EEEDLO COC(=O)[C@H]([NH2+]CCOc1cccc(C#N)c1)[C@@H]1CCC[C@@H](OC)C1 ZINC000576878924 320212154 /nfs/dbraw/zinc/21/21/54/320212154.db2.gz IQIKDIZVPVTARF-JFIYKMOQSA-N 1 2 346.427 2.273 20 30 EEEDLO N#Cc1cnn2cc(C[NH+]3CCN(c4ccccc4F)CC3)cnc12 ZINC000578533629 323649898 /nfs/dbraw/zinc/64/98/98/323649898.db2.gz ZJOKWWJZXTWTEN-UHFFFAOYSA-N 1 2 336.374 2.062 20 30 EEEDLO N#Cc1c[nH]nc1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000601639271 450133231 /nfs/dbraw/zinc/13/32/31/450133231.db2.gz MTSNWVQNVJJYCR-OAHLLOKOSA-N 1 2 327.363 2.414 20 30 EEEDLO N#Cc1c[nH]nc1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000601639271 450133235 /nfs/dbraw/zinc/13/32/35/450133235.db2.gz MTSNWVQNVJJYCR-OAHLLOKOSA-N 1 2 327.363 2.414 20 30 EEEDLO N#CCc1cccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000042315163 463555588 /nfs/dbraw/zinc/55/55/88/463555588.db2.gz NDNQPSMZRNWGMH-FQEVSTJZSA-N 1 2 349.434 2.383 20 30 EEEDLO N#CCc1cccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000042315163 463555594 /nfs/dbraw/zinc/55/55/94/463555594.db2.gz NDNQPSMZRNWGMH-FQEVSTJZSA-N 1 2 349.434 2.383 20 30 EEEDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC(OCC2CC2)CC1 ZINC000328777962 465125194 /nfs/dbraw/zinc/12/51/94/465125194.db2.gz GAJPZHHTHFTWQS-INIZCTEOSA-N 1 2 344.459 2.465 20 30 EEEDLO CCn1nc(C)c(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1C ZINC000355183718 465231518 /nfs/dbraw/zinc/23/15/18/465231518.db2.gz GMVHCZTZOHOSHP-MGPUTAFESA-N 1 2 349.438 2.365 20 30 EEEDLO CCn1nc(C)c(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1C ZINC000355183718 465231522 /nfs/dbraw/zinc/23/15/22/465231522.db2.gz GMVHCZTZOHOSHP-MGPUTAFESA-N 1 2 349.438 2.365 20 30 EEEDLO N#CCC1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000568159418 468279724 /nfs/dbraw/zinc/27/97/24/468279724.db2.gz JWYLSHWHFJXXLB-UHFFFAOYSA-N 1 2 337.427 2.079 20 30 EEEDLO CCN(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[C@H]1CCOC(C)(C)C1 ZINC000329541425 465366991 /nfs/dbraw/zinc/36/69/91/465366991.db2.gz DKQNZFLENLKWSQ-HNNXBMFYSA-N 1 2 341.496 2.291 20 30 EEEDLO CCN(C(=O)NCC[N@H+]1CCOC(C)(C)C1)[C@H]1CCOC(C)(C)C1 ZINC000329541425 465366996 /nfs/dbraw/zinc/36/69/96/465366996.db2.gz DKQNZFLENLKWSQ-HNNXBMFYSA-N 1 2 341.496 2.291 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCc2[nH+]c[nH]c2C1 ZINC000590598916 468283238 /nfs/dbraw/zinc/28/32/38/468283238.db2.gz DOLRMSLPYMGBLY-SNVBAGLBSA-N 1 2 329.791 2.320 20 30 EEEDLO CCCCn1nnnc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046086512 462645563 /nfs/dbraw/zinc/64/55/63/462645563.db2.gz ZFYCJKUFQQGIHV-UHFFFAOYSA-N 1 2 339.447 2.057 20 30 EEEDLO CCCCn1nnnc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046086512 462645568 /nfs/dbraw/zinc/64/55/68/462645568.db2.gz ZFYCJKUFQQGIHV-UHFFFAOYSA-N 1 2 339.447 2.057 20 30 EEEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000130150398 462742392 /nfs/dbraw/zinc/74/23/92/462742392.db2.gz UHOLACSVXZDKGN-AWEZNQCLSA-N 1 2 333.457 2.274 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000131631541 462819353 /nfs/dbraw/zinc/81/93/53/462819353.db2.gz LUDYVWJVXFWYEP-CYBMUJFWSA-N 1 2 349.456 2.076 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](C[C@H](O)c3ccccc3Cl)CC2)c1 ZINC000047856951 462828650 /nfs/dbraw/zinc/82/86/50/462828650.db2.gz SOPJMLKMDNJFCT-KRWDZBQOSA-N 1 2 342.830 2.462 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCOc1ccccc1F ZINC000155672893 462926904 /nfs/dbraw/zinc/92/69/04/462926904.db2.gz FOBKZSNNMFLTLW-CQSZACIVSA-N 1 2 341.390 2.077 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCOc1ccccc1F ZINC000155672893 462926908 /nfs/dbraw/zinc/92/69/08/462926908.db2.gz FOBKZSNNMFLTLW-CQSZACIVSA-N 1 2 341.390 2.077 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)cc1 ZINC000017843345 463001980 /nfs/dbraw/zinc/00/19/80/463001980.db2.gz LMDXVXHCXWEFOO-UHFFFAOYSA-N 1 2 345.406 2.393 20 30 EEEDLO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023258358 463063859 /nfs/dbraw/zinc/06/38/59/463063859.db2.gz YQJZEJIJWVJBAT-QGZVFWFLSA-N 1 2 340.471 2.077 20 30 EEEDLO C[C@H](C(=O)N1CCCCC1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258358 463063865 /nfs/dbraw/zinc/06/38/65/463063865.db2.gz YQJZEJIJWVJBAT-QGZVFWFLSA-N 1 2 340.471 2.077 20 30 EEEDLO COC(=O)c1ccc([C@@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)o1 ZINC000025941255 463145296 /nfs/dbraw/zinc/14/52/96/463145296.db2.gz RVXCBXYBCUATSE-CYBMUJFWSA-N 1 2 340.383 2.216 20 30 EEEDLO O=C(C#Cc1ccc2c(c1)OCO2)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000136115500 463220440 /nfs/dbraw/zinc/22/04/40/463220440.db2.gz MBLNDZCQZNWRLC-UHFFFAOYSA-N 1 2 349.390 2.078 20 30 EEEDLO N#CCN1CCC(CNC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000122531434 463272424 /nfs/dbraw/zinc/27/24/24/463272424.db2.gz CBENEKKHVPIFCP-ZZXKWVIFSA-N 1 2 349.438 2.237 20 30 EEEDLO N#Cc1c(F)cccc1N1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000029858955 463275972 /nfs/dbraw/zinc/27/59/72/463275972.db2.gz LDSBUPFBMONPTJ-SFHVURJKSA-N 1 2 338.386 2.046 20 30 EEEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)NCc3ccco3)CC2)c1 ZINC000104715345 463418739 /nfs/dbraw/zinc/41/87/39/463418739.db2.gz XKPJMNWQZTVSSK-UHFFFAOYSA-N 1 2 339.395 2.311 20 30 EEEDLO Cc1cc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)on1 ZINC000081512571 463451053 /nfs/dbraw/zinc/45/10/53/463451053.db2.gz UBRLBWLAXJIREH-INIZCTEOSA-N 1 2 345.424 2.466 20 30 EEEDLO Cc1cc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)on1 ZINC000081512571 463451057 /nfs/dbraw/zinc/45/10/57/463451057.db2.gz UBRLBWLAXJIREH-INIZCTEOSA-N 1 2 345.424 2.466 20 30 EEEDLO Cc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c(C)n1C(C)C ZINC000162497121 463516401 /nfs/dbraw/zinc/51/64/01/463516401.db2.gz UGQJEFKAWQUFFZ-UHFFFAOYSA-N 1 2 346.475 2.374 20 30 EEEDLO CCC(C)(C)NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354548 463559529 /nfs/dbraw/zinc/55/95/29/463559529.db2.gz QFHDZPUYUAFRRB-INIZCTEOSA-N 1 2 342.487 2.369 20 30 EEEDLO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000042354548 463559532 /nfs/dbraw/zinc/55/95/32/463559532.db2.gz QFHDZPUYUAFRRB-INIZCTEOSA-N 1 2 342.487 2.369 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2ccccn2)CC1 ZINC000042643130 463582705 /nfs/dbraw/zinc/58/27/05/463582705.db2.gz GUIWFRMJJBVKDN-QGZVFWFLSA-N 1 2 330.476 2.012 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[NH+](Cc2ccccn2)CC1 ZINC000042643130 463582708 /nfs/dbraw/zinc/58/27/08/463582708.db2.gz GUIWFRMJJBVKDN-QGZVFWFLSA-N 1 2 330.476 2.012 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000255674012 463742023 /nfs/dbraw/zinc/74/20/23/463742023.db2.gz SXKLUTDZPZXNSW-SJLPKXTDSA-N 1 2 333.432 2.315 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000255674012 463742030 /nfs/dbraw/zinc/74/20/30/463742030.db2.gz SXKLUTDZPZXNSW-SJLPKXTDSA-N 1 2 333.432 2.315 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185165720 463766756 /nfs/dbraw/zinc/76/67/56/463766756.db2.gz PQQZRAMXWPDUPR-YVEFUNNKSA-N 1 2 349.818 2.030 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185165720 463766763 /nfs/dbraw/zinc/76/67/63/463766763.db2.gz PQQZRAMXWPDUPR-YVEFUNNKSA-N 1 2 349.818 2.030 20 30 EEEDLO N#Cc1ccc(CC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000194722470 463915560 /nfs/dbraw/zinc/91/55/60/463915560.db2.gz FEZYSDRIDQDTMN-FQEVSTJZSA-N 1 2 349.434 2.290 20 30 EEEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)CSc1ccc(C#N)cc1 ZINC000279258751 464081459 /nfs/dbraw/zinc/08/14/59/464081459.db2.gz IANMLFQPNQNFEI-UHFFFAOYSA-N 1 2 347.484 2.220 20 30 EEEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)CSc1ccc(C#N)cc1 ZINC000279258751 464081462 /nfs/dbraw/zinc/08/14/62/464081462.db2.gz IANMLFQPNQNFEI-UHFFFAOYSA-N 1 2 347.484 2.220 20 30 EEEDLO N#Cc1ccc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)nc1 ZINC000198913890 464096153 /nfs/dbraw/zinc/09/61/53/464096153.db2.gz YOQRDBRDHCYUPL-UHFFFAOYSA-N 1 2 335.411 2.468 20 30 EEEDLO COc1ccc(C[N@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)cn1 ZINC000591019669 468393808 /nfs/dbraw/zinc/39/38/08/468393808.db2.gz RTPRIQAZXITITP-AWEZNQCLSA-N 1 2 342.424 2.261 20 30 EEEDLO COc1ccc(C[N@@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)cn1 ZINC000591019669 468393814 /nfs/dbraw/zinc/39/38/14/468393814.db2.gz RTPRIQAZXITITP-AWEZNQCLSA-N 1 2 342.424 2.261 20 30 EEEDLO Cn1c[nH+]cc1CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000291155537 464146408 /nfs/dbraw/zinc/14/64/08/464146408.db2.gz BDZBTSVXSPQYHF-UHFFFAOYSA-N 1 2 339.399 2.045 20 30 EEEDLO CCn1nc(C)c(C[NH+]2CCN(c3snc(C)c3C#N)CC2)c1C ZINC000291550786 464156528 /nfs/dbraw/zinc/15/65/28/464156528.db2.gz MGUKMFAUIMAVFK-UHFFFAOYSA-N 1 2 344.488 2.479 20 30 EEEDLO NC(=[NH+]OCc1ccc(I)cc1)[C@H]1CCCO1 ZINC000284401318 464179938 /nfs/dbraw/zinc/17/99/38/464179938.db2.gz MZNFMURYPTZNLP-LLVKDONJSA-N 1 2 346.168 2.259 20 30 EEEDLO C#CCOc1ccccc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000188123989 464206764 /nfs/dbraw/zinc/20/67/64/464206764.db2.gz NKCWZIRNPZQGGF-INIZCTEOSA-N 1 2 343.427 2.027 20 30 EEEDLO NC(=[NH+]OCc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000292449335 464235201 /nfs/dbraw/zinc/23/52/01/464235201.db2.gz NLEYPTVLAUFNRU-LLVKDONJSA-N 1 2 344.165 2.325 20 30 EEEDLO C=CCN(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1)C1CC1 ZINC000271462199 464318309 /nfs/dbraw/zinc/31/83/09/464318309.db2.gz PYHFRSYCZXTFBA-SFHVURJKSA-N 1 2 329.444 2.420 20 30 EEEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cc(F)c(F)c(F)c1 ZINC000180502048 464325675 /nfs/dbraw/zinc/32/56/75/464325675.db2.gz BQDFQGQZXUQRNR-INIZCTEOSA-N 1 2 325.334 2.344 20 30 EEEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cc(F)c(F)c(F)c1 ZINC000180502048 464325676 /nfs/dbraw/zinc/32/56/76/464325676.db2.gz BQDFQGQZXUQRNR-INIZCTEOSA-N 1 2 325.334 2.344 20 30 EEEDLO C=C(C)CN(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000180677133 464367769 /nfs/dbraw/zinc/36/77/69/464367769.db2.gz SDKORKYHUKHGGM-UHFFFAOYSA-N 1 2 326.400 2.424 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2cc(F)ccc2C)C1=O ZINC000281233305 464380061 /nfs/dbraw/zinc/38/00/61/464380061.db2.gz FOMAVPBXYPTGSL-CZUORRHYSA-N 1 2 333.407 2.180 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2cc(F)ccc2C)C1=O ZINC000281233305 464380063 /nfs/dbraw/zinc/38/00/63/464380063.db2.gz FOMAVPBXYPTGSL-CZUORRHYSA-N 1 2 333.407 2.180 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(Cl)c2C)C1=O ZINC000281278088 464396590 /nfs/dbraw/zinc/39/65/90/464396590.db2.gz ILSDIJYRXMQHPP-OAHLLOKOSA-N 1 2 335.835 2.306 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(Cl)c2C)C1=O ZINC000281278088 464396594 /nfs/dbraw/zinc/39/65/94/464396594.db2.gz ILSDIJYRXMQHPP-OAHLLOKOSA-N 1 2 335.835 2.306 20 30 EEEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C)OC2CCCCCC2)CC1 ZINC000329921212 465474373 /nfs/dbraw/zinc/47/43/73/465474373.db2.gz SMSJSWWLNXHAOA-OAHLLOKOSA-N 1 2 339.480 2.235 20 30 EEEDLO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000175151084 464497054 /nfs/dbraw/zinc/49/70/54/464497054.db2.gz ZUMDRJVFINDCSZ-CQSZACIVSA-N 1 2 332.423 2.075 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000294775106 464600836 /nfs/dbraw/zinc/60/08/36/464600836.db2.gz GHHBFFHQUANICG-UHFFFAOYSA-N 1 2 335.791 2.338 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(Br)cn2C)C1=O ZINC000281978834 464656954 /nfs/dbraw/zinc/65/69/54/464656954.db2.gz LVFSCJALBWTZAZ-CYBMUJFWSA-N 1 2 326.238 2.006 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(Br)cn2C)C1=O ZINC000281978834 464656959 /nfs/dbraw/zinc/65/69/59/464656959.db2.gz LVFSCJALBWTZAZ-CYBMUJFWSA-N 1 2 326.238 2.006 20 30 EEEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000247679464 464701644 /nfs/dbraw/zinc/70/16/44/464701644.db2.gz RPKWUNOGVIFPEO-WCQYABFASA-N 1 2 327.222 2.423 20 30 EEEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000247679464 464701647 /nfs/dbraw/zinc/70/16/47/464701647.db2.gz RPKWUNOGVIFPEO-WCQYABFASA-N 1 2 327.222 2.423 20 30 EEEDLO C#C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1)C(C)C ZINC000282124060 464705652 /nfs/dbraw/zinc/70/56/52/464705652.db2.gz FUNFMNHWZBJEIH-GJZGRUSLSA-N 1 2 335.473 2.078 20 30 EEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000248342532 464742999 /nfs/dbraw/zinc/74/29/99/464742999.db2.gz JPYHBYCIPCDHKB-GUYCJALGSA-N 1 2 333.457 2.476 20 30 EEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@](C)(O)C1 ZINC000248342532 464743006 /nfs/dbraw/zinc/74/30/06/464743006.db2.gz JPYHBYCIPCDHKB-GUYCJALGSA-N 1 2 333.457 2.476 20 30 EEEDLO C=CCN(CCOC)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000190941558 464749092 /nfs/dbraw/zinc/74/90/92/464749092.db2.gz GUFDRTMEIGEDFV-UHFFFAOYSA-N 1 2 328.416 2.275 20 30 EEEDLO C#C[C@H](C)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274758970 464754380 /nfs/dbraw/zinc/75/43/80/464754380.db2.gz GNFIBMUTEPZEOL-NSHDSACASA-N 1 2 349.232 2.269 20 30 EEEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(C#N)cc3Cl)C[C@@H]21 ZINC000286163373 464824145 /nfs/dbraw/zinc/82/41/45/464824145.db2.gz YWUKWNNUIBYAEG-GJZGRUSLSA-N 1 2 334.807 2.148 20 30 EEEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(C#N)cc3Cl)C[C@@H]21 ZINC000286163373 464824149 /nfs/dbraw/zinc/82/41/49/464824149.db2.gz YWUKWNNUIBYAEG-GJZGRUSLSA-N 1 2 334.807 2.148 20 30 EEEDLO C[C@@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)CCCC#N)CC1 ZINC000183840908 464917335 /nfs/dbraw/zinc/91/73/35/464917335.db2.gz SIXNXHDTWVIWOI-ZDUSSCGKSA-N 1 2 327.475 2.060 20 30 EEEDLO C#CC[N@@H+](CN1C[C@](C)(COC)CC1=O)[C@@H]1CCc2ccccc21 ZINC000177135962 464939516 /nfs/dbraw/zinc/93/95/16/464939516.db2.gz QOXLJOFRDWFZLS-UYAOXDASSA-N 1 2 326.440 2.452 20 30 EEEDLO C#CC[N@H+](CN1C[C@](C)(COC)CC1=O)[C@@H]1CCc2ccccc21 ZINC000177135962 464939519 /nfs/dbraw/zinc/93/95/19/464939519.db2.gz QOXLJOFRDWFZLS-UYAOXDASSA-N 1 2 326.440 2.452 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2Cc2cccs2)CC1 ZINC000282852280 464975434 /nfs/dbraw/zinc/97/54/34/464975434.db2.gz BHVDAKIRHNNQDF-UHFFFAOYSA-N 1 2 341.484 2.096 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC(C)(C#N)CC1)C1CCOCC1 ZINC000329434684 465331768 /nfs/dbraw/zinc/33/17/68/465331768.db2.gz IWJFMEZLJAOVCA-HNNXBMFYSA-N 1 2 345.447 2.427 20 30 EEEDLO O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000329453437 465338108 /nfs/dbraw/zinc/33/81/08/465338108.db2.gz MKTKUWCSXYHCMS-OAHLLOKOSA-N 1 2 343.427 2.003 20 30 EEEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000329596008 465381923 /nfs/dbraw/zinc/38/19/23/465381923.db2.gz IMAQLZGVHSXCMM-UXLLHSPISA-N 1 2 344.459 2.393 20 30 EEEDLO COc1ccc(C#N)cc1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000339627867 465400057 /nfs/dbraw/zinc/40/00/57/465400057.db2.gz CFNPBLCLFOBXOH-CYBMUJFWSA-N 1 2 325.372 2.322 20 30 EEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)NCC1CCCC1 ZINC000329680610 465405667 /nfs/dbraw/zinc/40/56/67/465405667.db2.gz XXVYKCUHYNYVJU-GJZGRUSLSA-N 1 2 337.443 2.026 20 30 EEEDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1cc2n(n1)CCCO2 ZINC000329872259 465458667 /nfs/dbraw/zinc/45/86/67/465458667.db2.gz BHSAGKWUDMXAEV-UHFFFAOYSA-N 1 2 332.429 2.090 20 30 EEEDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1cc2n(n1)CCCO2 ZINC000329872259 465458669 /nfs/dbraw/zinc/45/86/69/465458669.db2.gz BHSAGKWUDMXAEV-UHFFFAOYSA-N 1 2 332.429 2.090 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cn(C)nc1[C@@H]1CCOC1)CCC2 ZINC000329885694 465462630 /nfs/dbraw/zinc/46/26/30/465462630.db2.gz UZTGXXYSWDMSIL-UONOGXRCSA-N 1 2 343.431 2.311 20 30 EEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)NCC1(C)CCC1 ZINC000329922339 465475247 /nfs/dbraw/zinc/47/52/47/465475247.db2.gz GGLMFSVXYYNSGW-KBPBESRZSA-N 1 2 337.443 2.026 20 30 EEEDLO Cc1cccnc1[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)C(C)C ZINC000329938228 465480126 /nfs/dbraw/zinc/48/01/26/465480126.db2.gz LUQZNOUJFDEOON-OWCLPIDISA-N 1 2 332.448 2.016 20 30 EEEDLO Cc1cccnc1[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)C(C)C ZINC000329938228 465480132 /nfs/dbraw/zinc/48/01/32/465480132.db2.gz LUQZNOUJFDEOON-OWCLPIDISA-N 1 2 332.448 2.016 20 30 EEEDLO Cc1csc([C@H](C)NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)n1 ZINC000329974215 465493671 /nfs/dbraw/zinc/49/36/71/465493671.db2.gz XDIRFHIFYSSXGL-STQMWFEESA-N 1 2 348.476 2.149 20 30 EEEDLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CC12CCCC2 ZINC000329984025 465497052 /nfs/dbraw/zinc/49/70/52/465497052.db2.gz BTORWHBFYRRTGO-OAHLLOKOSA-N 1 2 329.448 2.135 20 30 EEEDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@]2(CCOC2)O1 ZINC000330086115 465528278 /nfs/dbraw/zinc/52/82/78/465528278.db2.gz RWAHTCQWOKTOQX-KSSFIOAISA-N 1 2 348.399 2.273 20 30 EEEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@]2(CCOC2)O1 ZINC000330086115 465528281 /nfs/dbraw/zinc/52/82/81/465528281.db2.gz RWAHTCQWOKTOQX-KSSFIOAISA-N 1 2 348.399 2.273 20 30 EEEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(F)(C#N)CC1 ZINC000352449082 465530510 /nfs/dbraw/zinc/53/05/10/465530510.db2.gz KQUYWFZAZMNRPC-GFCCVEGCSA-N 1 2 333.363 2.112 20 30 EEEDLO COc1cc(OC)cc(N2CC[C@@H]([NH+]3CCC(F)(C#N)CC3)C2=O)c1 ZINC000352463972 465531111 /nfs/dbraw/zinc/53/11/11/465531111.db2.gz NANQNQIOYBJYLI-MRXNPFEDSA-N 1 2 347.390 2.137 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)Nc3ccnc(C)n3)CC2)cs1 ZINC000330101200 465533172 /nfs/dbraw/zinc/53/31/72/465533172.db2.gz DZPHDNFIGBFMKC-UHFFFAOYSA-N 1 2 346.460 2.303 20 30 EEEDLO Cc1nc(C[N@H+]2CCCN(C(=O)Nc3ccnc(C)n3)CC2)cs1 ZINC000330101200 465533175 /nfs/dbraw/zinc/53/31/75/465533175.db2.gz DZPHDNFIGBFMKC-UHFFFAOYSA-N 1 2 346.460 2.303 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1ccnn1C ZINC000348398918 465582346 /nfs/dbraw/zinc/58/23/46/465582346.db2.gz IKLDOKDFQCWIPM-LLVKDONJSA-N 1 2 331.807 2.404 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1ccnn1C ZINC000348398918 465582354 /nfs/dbraw/zinc/58/23/54/465582354.db2.gz IKLDOKDFQCWIPM-LLVKDONJSA-N 1 2 331.807 2.404 20 30 EEEDLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000330270374 465593161 /nfs/dbraw/zinc/59/31/61/465593161.db2.gz UBUOKBOXCBIGKR-OAHLLOKOSA-N 1 2 344.415 2.066 20 30 EEEDLO CCc1cnc(NC(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000330286068 465599550 /nfs/dbraw/zinc/59/95/50/465599550.db2.gz AFOLLZQVZZRVOQ-GFCCVEGCSA-N 1 2 334.449 2.353 20 30 EEEDLO O=C(NC[C@@H]1CCCO1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000330324800 465613471 /nfs/dbraw/zinc/61/34/71/465613471.db2.gz ITXNUMURICFWQE-INIZCTEOSA-N 1 2 332.448 2.492 20 30 EEEDLO CCOC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)[C@H](C)CC ZINC000299147044 465624854 /nfs/dbraw/zinc/62/48/54/465624854.db2.gz WQVATDINTMRCNQ-DYVFJYSZSA-N 1 2 331.416 2.454 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000348634414 465720502 /nfs/dbraw/zinc/72/05/02/465720502.db2.gz LWSVHVZLLUXBJI-CQSZACIVSA-N 1 2 337.427 3.019 20 30 EEEDLO CN(C(=O)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)C1(C#N)CCCCC1 ZINC000330676160 465757207 /nfs/dbraw/zinc/75/72/07/465757207.db2.gz KCQFPPWAXFHJKM-GXTWGEPZSA-N 1 2 347.381 2.059 20 30 EEEDLO CN(C(=O)C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)C1(C#N)CCCCC1 ZINC000330676160 465757215 /nfs/dbraw/zinc/75/72/15/465757215.db2.gz KCQFPPWAXFHJKM-GXTWGEPZSA-N 1 2 347.381 2.059 20 30 EEEDLO CCCCOCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000299506101 465779016 /nfs/dbraw/zinc/77/90/16/465779016.db2.gz PNHNQLIVOVKBPO-UHFFFAOYSA-N 1 2 344.459 2.202 20 30 EEEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCO[C@H](C(C)C)C2)c(C)c1 ZINC000330737165 465783044 /nfs/dbraw/zinc/78/30/44/465783044.db2.gz MUEOHFVTZZEYNJ-INIZCTEOSA-N 1 2 333.432 2.322 20 30 EEEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCO[C@H](C(C)C)C2)c(C)c1 ZINC000330737165 465783049 /nfs/dbraw/zinc/78/30/49/465783049.db2.gz MUEOHFVTZZEYNJ-INIZCTEOSA-N 1 2 333.432 2.322 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000340191476 465858379 /nfs/dbraw/zinc/85/83/79/465858379.db2.gz GIPOXWRDTGCMTA-ZFWWWQNUSA-N 1 2 341.333 2.274 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000340191476 465858384 /nfs/dbraw/zinc/85/83/84/465858384.db2.gz GIPOXWRDTGCMTA-ZFWWWQNUSA-N 1 2 341.333 2.274 20 30 EEEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCOC(C)(C)[C@@H]2C)c(C)c1 ZINC000331051805 465913879 /nfs/dbraw/zinc/91/38/79/465913879.db2.gz MCLIJHFJCFXJDS-AWEZNQCLSA-N 1 2 333.432 2.464 20 30 EEEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCOC(C)(C)[C@@H]2C)c(C)c1 ZINC000331051805 465913888 /nfs/dbraw/zinc/91/38/88/465913888.db2.gz MCLIJHFJCFXJDS-AWEZNQCLSA-N 1 2 333.432 2.464 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cn1 ZINC000362843205 466067644 /nfs/dbraw/zinc/06/76/44/466067644.db2.gz OPJDCCDBWVVJSK-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C=CC[N@@H+](CC(=O)N(C)CC(=O)OCC)Cc1ccc(Cl)s1 ZINC000346352842 466088502 /nfs/dbraw/zinc/08/85/02/466088502.db2.gz YHVYXVRSRXZTEJ-UHFFFAOYSA-N 1 2 344.864 2.411 20 30 EEEDLO C=CC[N@H+](CC(=O)N(C)CC(=O)OCC)Cc1ccc(Cl)s1 ZINC000346352842 466088506 /nfs/dbraw/zinc/08/85/06/466088506.db2.gz YHVYXVRSRXZTEJ-UHFFFAOYSA-N 1 2 344.864 2.411 20 30 EEEDLO C#CCOCCNc1cc(Nc2ccc(OC)cc2OC)nc[nH+]1 ZINC000302157915 466107632 /nfs/dbraw/zinc/10/76/32/466107632.db2.gz NGBPSLSYMMVZHT-UHFFFAOYSA-N 1 2 328.372 2.299 20 30 EEEDLO N#CC1CC[NH+]([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000331606832 466160245 /nfs/dbraw/zinc/16/02/45/466160245.db2.gz DSIIUFZNQCOLRG-AWEZNQCLSA-N 1 2 335.766 2.347 20 30 EEEDLO CC1CCN(C(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000367259814 466223385 /nfs/dbraw/zinc/22/33/85/466223385.db2.gz KQZOLTDZWRBAQX-UHFFFAOYSA-N 1 2 326.444 2.197 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000580519816 468479195 /nfs/dbraw/zinc/47/91/95/468479195.db2.gz JNTRXPPCJSDFIL-SJORKVTESA-N 1 2 326.400 2.074 20 30 EEEDLO N#CCCCOc1cccc(C[NH+]2CCN([C@H]3CCOC3)CC2)c1 ZINC000597202760 468479633 /nfs/dbraw/zinc/47/96/33/468479633.db2.gz JAKCHMYBXFPTKA-SFHVURJKSA-N 1 2 329.444 2.276 20 30 EEEDLO N#CC[C@H](CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000332250837 466470416 /nfs/dbraw/zinc/47/04/16/466470416.db2.gz CKRFNKQBNKOBGC-QZTJIDSGSA-N 1 2 327.428 2.007 20 30 EEEDLO COCCCn1nccc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000338922489 466487007 /nfs/dbraw/zinc/48/70/07/466487007.db2.gz YLLCOVFDKNSUIQ-UHFFFAOYSA-N 1 2 339.443 2.113 20 30 EEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347387760 466603472 /nfs/dbraw/zinc/60/34/72/466603472.db2.gz ZCADAPISOTVPLB-FYRJDAGRSA-N 1 2 339.455 2.102 20 30 EEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347387760 466603480 /nfs/dbraw/zinc/60/34/80/466603480.db2.gz ZCADAPISOTVPLB-FYRJDAGRSA-N 1 2 339.455 2.102 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000333379966 466617674 /nfs/dbraw/zinc/61/76/74/466617674.db2.gz AQZKCCVZAJMXQN-NUJGCVRESA-N 1 2 346.475 2.365 20 30 EEEDLO N#CCCN(CC(F)(F)F)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000410524522 466702114 /nfs/dbraw/zinc/70/21/14/466702114.db2.gz LQLFXLDRVKTNSN-UHFFFAOYSA-N 1 2 327.297 2.268 20 30 EEEDLO C=CCCCN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000410538249 466703091 /nfs/dbraw/zinc/70/30/91/466703091.db2.gz ALDBETLECMKGPH-KRWDZBQOSA-N 1 2 343.471 2.144 20 30 EEEDLO C=CCCCN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000410538249 466703094 /nfs/dbraw/zinc/70/30/94/466703094.db2.gz ALDBETLECMKGPH-KRWDZBQOSA-N 1 2 343.471 2.144 20 30 EEEDLO Cc1cc(N2CCN(C(=O)Cc3ccccc3F)CC2)c(C#N)c[nH+]1 ZINC000425214386 467088399 /nfs/dbraw/zinc/08/83/99/467088399.db2.gz JIPBVKLRFCBFOB-UHFFFAOYSA-N 1 2 338.386 2.292 20 30 EEEDLO Cc1cc(NC2CCN(C(=O)CC(F)(F)F)CC2)c(C#N)c[nH+]1 ZINC000425221102 467089485 /nfs/dbraw/zinc/08/94/85/467089485.db2.gz FWYLNRYREFQSEJ-UHFFFAOYSA-N 1 2 326.322 2.039 20 30 EEEDLO Cc1ccn2cc(CNC(=O)c3ncc(C#N)cc3Cl)[nH+]c2c1 ZINC000427936173 467186834 /nfs/dbraw/zinc/18/68/34/467186834.db2.gz BHAMQXAIZKXYJS-UHFFFAOYSA-N 1 2 325.759 2.493 20 30 EEEDLO C[C@@H](O)CNc1cc(N2CC=C(c3ccc(C#N)cc3)CC2)nc[nH+]1 ZINC000413218890 467192214 /nfs/dbraw/zinc/19/22/14/467192214.db2.gz KDLDOGKNAYBHCE-CQSZACIVSA-N 1 2 335.411 2.435 20 30 EEEDLO C[C@@H](O)CNc1cc(N2CC=C(c3ccc(C#N)cc3)CC2)[nH+]cn1 ZINC000413218890 467192215 /nfs/dbraw/zinc/19/22/15/467192215.db2.gz KDLDOGKNAYBHCE-CQSZACIVSA-N 1 2 335.411 2.435 20 30 EEEDLO COc1cccc(-n2ccnc2SC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000414095524 467376745 /nfs/dbraw/zinc/37/67/45/467376745.db2.gz KCCDYEDWEGEJGA-HNNXBMFYSA-N 1 2 346.456 2.179 20 30 EEEDLO COc1cccc(-n2ccnc2SC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414095524 467376749 /nfs/dbraw/zinc/37/67/49/467376749.db2.gz KCCDYEDWEGEJGA-HNNXBMFYSA-N 1 2 346.456 2.179 20 30 EEEDLO Cc1ccc(-c2nc(SC[C@@H](O)C[N@H+](C)CCC#N)n[nH]2)cc1 ZINC000414096644 467376809 /nfs/dbraw/zinc/37/68/09/467376809.db2.gz MBJSUPXAQATQSH-AWEZNQCLSA-N 1 2 331.445 2.079 20 30 EEEDLO Cc1ccc(-c2nc(SC[C@@H](O)C[N@@H+](C)CCC#N)n[nH]2)cc1 ZINC000414096644 467376810 /nfs/dbraw/zinc/37/68/10/467376810.db2.gz MBJSUPXAQATQSH-AWEZNQCLSA-N 1 2 331.445 2.079 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cc(Br)cc(F)c1F ZINC000414120267 467379375 /nfs/dbraw/zinc/37/93/75/467379375.db2.gz BQDKNEQVEZJTSX-SNVBAGLBSA-N 1 2 349.175 2.312 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cc(Br)cc(F)c1F ZINC000414120267 467379379 /nfs/dbraw/zinc/37/93/79/467379379.db2.gz BQDKNEQVEZJTSX-SNVBAGLBSA-N 1 2 349.175 2.312 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000435024883 467442087 /nfs/dbraw/zinc/44/20/87/467442087.db2.gz UREXRKJPLSXUFQ-ROUUACIJSA-N 1 2 344.411 2.042 20 30 EEEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@H]1C ZINC000408316514 467543750 /nfs/dbraw/zinc/54/37/50/467543750.db2.gz QXPGEPWVOKNAMJ-NEPJUHHUSA-N 1 2 341.864 2.315 20 30 EEEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@H]1C ZINC000408316514 467543751 /nfs/dbraw/zinc/54/37/51/467543751.db2.gz QXPGEPWVOKNAMJ-NEPJUHHUSA-N 1 2 341.864 2.315 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439427718 467567409 /nfs/dbraw/zinc/56/74/09/467567409.db2.gz AUPDOOMTYQIMLN-GFCCVEGCSA-N 1 2 331.185 2.173 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439427718 467567411 /nfs/dbraw/zinc/56/74/11/467567411.db2.gz AUPDOOMTYQIMLN-GFCCVEGCSA-N 1 2 331.185 2.173 20 30 EEEDLO CCC(C#N)(CC)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000527981399 467670184 /nfs/dbraw/zinc/67/01/84/467670184.db2.gz OVVDVBQVSQEPHY-AWEZNQCLSA-N 1 2 330.432 2.253 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000455532327 467688744 /nfs/dbraw/zinc/68/87/44/467688744.db2.gz FMDQCZKFAOZNJJ-AWEZNQCLSA-N 1 2 327.363 2.130 20 30 EEEDLO C=C(CC)CNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000458359945 467815467 /nfs/dbraw/zinc/81/54/67/467815467.db2.gz FMQKRCHWQGEWNH-GOSISDBHSA-N 1 2 331.460 2.195 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1csc(Br)c1 ZINC000493162937 467852481 /nfs/dbraw/zinc/85/24/81/467852481.db2.gz VHHKLSSYVGQHKQ-MUBLQREKSA-N 1 2 342.262 2.484 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1ccc(Br)cc1 ZINC000493866778 467999757 /nfs/dbraw/zinc/99/97/57/467999757.db2.gz DKHHVFWLOZPKBU-RZIFZGNASA-N 1 2 336.233 2.422 20 30 EEEDLO C#CC[C@]1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CCCN1C(=O)OC(C)(C)C ZINC000495622199 468097784 /nfs/dbraw/zinc/09/77/84/468097784.db2.gz LNKPSFFBYCLLIQ-FZKQIMNGSA-N 1 2 346.431 2.380 20 30 EEEDLO N#CC1(NC(=O)C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CCC1 ZINC000574934734 468133512 /nfs/dbraw/zinc/13/35/12/468133512.db2.gz DSMYVJAMNITSKM-UHFFFAOYSA-N 1 2 343.402 2.283 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(C#N)n1)c1cccc(F)c1 ZINC000589272561 468139988 /nfs/dbraw/zinc/13/99/88/468139988.db2.gz SJMNHSQIWMUNPT-MRXNPFEDSA-N 1 2 335.342 2.345 20 30 EEEDLO N#Cc1ncccc1N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000589572620 468163430 /nfs/dbraw/zinc/16/34/30/468163430.db2.gz FFTVPXRLVORPDJ-SFHVURJKSA-N 1 2 342.830 2.462 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000567229746 468167372 /nfs/dbraw/zinc/16/73/72/468167372.db2.gz HZUVSNCWOCFPPG-GDBMZVCRSA-N 1 2 333.819 2.010 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000567229746 468167376 /nfs/dbraw/zinc/16/73/76/468167376.db2.gz HZUVSNCWOCFPPG-GDBMZVCRSA-N 1 2 333.819 2.010 20 30 EEEDLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000594212564 468514219 /nfs/dbraw/zinc/51/42/19/468514219.db2.gz ZKDVAZSTIHQSCS-UHFFFAOYSA-N 1 2 325.368 2.118 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1coc(-c2c(F)cccc2F)n1 ZINC000570284319 468616746 /nfs/dbraw/zinc/61/67/46/468616746.db2.gz FXOZUDBPVMMQKS-MRXNPFEDSA-N 1 2 334.326 2.193 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC#Cc1cccc(F)c1)C1CC1 ZINC000570312887 468620796 /nfs/dbraw/zinc/62/07/96/468620796.db2.gz UZQMTBSBLGGZDB-INIZCTEOSA-N 1 2 326.375 2.361 20 30 EEEDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149069 468638787 /nfs/dbraw/zinc/63/87/87/468638787.db2.gz IBONEEWEPVXIRC-ZBEGNZNMSA-N 1 2 343.343 2.056 20 30 EEEDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149069 468638790 /nfs/dbraw/zinc/63/87/90/468638790.db2.gz IBONEEWEPVXIRC-ZBEGNZNMSA-N 1 2 343.343 2.056 20 30 EEEDLO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149350 468640151 /nfs/dbraw/zinc/64/01/51/468640151.db2.gz NIFYUFUGNKIBSU-CLCXKQKWSA-N 1 2 327.428 2.093 20 30 EEEDLO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149350 468640155 /nfs/dbraw/zinc/64/01/55/468640155.db2.gz NIFYUFUGNKIBSU-CLCXKQKWSA-N 1 2 327.428 2.093 20 30 EEEDLO CC(C)(CC#N)CS(=O)(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000594803447 468692548 /nfs/dbraw/zinc/69/25/48/468692548.db2.gz NKJFGPVVLKGAGN-UHFFFAOYSA-N 1 2 336.461 2.041 20 30 EEEDLO CC[C@@H](C(=O)NCCc1ccc(C#N)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000597891388 468704460 /nfs/dbraw/zinc/70/44/60/468704460.db2.gz ZYZOQFRJPCZTAR-MSOLQXFVSA-N 1 2 329.444 2.106 20 30 EEEDLO CC[C@@H](C(=O)NCCc1ccc(C#N)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000597891388 468704463 /nfs/dbraw/zinc/70/44/63/468704463.db2.gz ZYZOQFRJPCZTAR-MSOLQXFVSA-N 1 2 329.444 2.106 20 30 EEEDLO CC[N@H+](CC(=O)N1CC[C@@](O)(CC#N)C1)Cc1ccccc1Cl ZINC000592853811 468805272 /nfs/dbraw/zinc/80/52/72/468805272.db2.gz SROFTZLXTZVWRT-KRWDZBQOSA-N 1 2 335.835 2.039 20 30 EEEDLO CC[N@@H+](CC(=O)N1CC[C@@](O)(CC#N)C1)Cc1ccccc1Cl ZINC000592853811 468805278 /nfs/dbraw/zinc/80/52/78/468805278.db2.gz SROFTZLXTZVWRT-KRWDZBQOSA-N 1 2 335.835 2.039 20 30 EEEDLO N#CCCC1CCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000572244646 468906454 /nfs/dbraw/zinc/90/64/54/468906454.db2.gz BLJHNRWRGCYMRJ-UHFFFAOYSA-N 1 2 342.443 2.070 20 30 EEEDLO C[C@H](NC[C@H](C#N)CCC#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562189228 468921646 /nfs/dbraw/zinc/92/16/46/468921646.db2.gz PSTXVXCTDZPVLC-WDSOQIARSA-N 1 2 326.444 2.309 20 30 EEEDLO C[C@H](NC[C@H](C#N)CCC#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562189228 468921651 /nfs/dbraw/zinc/92/16/51/468921651.db2.gz PSTXVXCTDZPVLC-WDSOQIARSA-N 1 2 326.444 2.309 20 30 EEEDLO COc1cc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)cc(OC)c1OC ZINC000595617138 468924946 /nfs/dbraw/zinc/92/49/46/468924946.db2.gz VCURCUSHMGTGNO-CYBMUJFWSA-N 1 2 347.415 2.277 20 30 EEEDLO COc1cc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)cc(OC)c1OC ZINC000595617138 468924950 /nfs/dbraw/zinc/92/49/50/468924950.db2.gz VCURCUSHMGTGNO-CYBMUJFWSA-N 1 2 347.415 2.277 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](C)COC ZINC000595639860 468935077 /nfs/dbraw/zinc/93/50/77/468935077.db2.gz XZTOFLHDVNGDDR-GFCCVEGCSA-N 1 2 337.376 2.065 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](C)COC ZINC000595639860 468935080 /nfs/dbraw/zinc/93/50/80/468935080.db2.gz XZTOFLHDVNGDDR-GFCCVEGCSA-N 1 2 337.376 2.065 20 30 EEEDLO CC[C@@H](C#N)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000593394516 468961766 /nfs/dbraw/zinc/96/17/66/468961766.db2.gz KVEQTRPVEJBXOF-LRDDRELGSA-N 1 2 342.399 2.193 20 30 EEEDLO CC1CC(C#N)(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000601851739 469057951 /nfs/dbraw/zinc/05/79/51/469057951.db2.gz QPCSKJPOEGWCKM-UHFFFAOYSA-N 1 2 330.457 2.191 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610844664 469087584 /nfs/dbraw/zinc/08/75/84/469087584.db2.gz IMIPXLBABVQRQF-YJYMSZOUSA-N 1 2 339.443 2.405 20 30 EEEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000602862090 469125998 /nfs/dbraw/zinc/12/59/98/469125998.db2.gz KYNSKAVCVBQNGC-LBPRGKRZSA-N 1 2 331.807 2.415 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CCC[C@](C)(C#N)C2)cc1 ZINC000602136181 469209240 /nfs/dbraw/zinc/20/92/40/469209240.db2.gz QXKCXGHESQEIOL-PKOBYXMFSA-N 1 2 327.428 2.422 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CCC[C@](C)(C#N)C2)cc1 ZINC000602136181 469209246 /nfs/dbraw/zinc/20/92/46/469209246.db2.gz QXKCXGHESQEIOL-PKOBYXMFSA-N 1 2 327.428 2.422 20 30 EEEDLO N#CCc1ccccc1C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000602199230 469238699 /nfs/dbraw/zinc/23/86/99/469238699.db2.gz OGIFHDWWHDQQHP-UHFFFAOYSA-N 1 2 334.423 2.148 20 30 EEEDLO Cc1ncc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cn1 ZINC000611552302 469277786 /nfs/dbraw/zinc/27/77/86/469277786.db2.gz VEZJIQSFDPEFCD-SFHVURJKSA-N 1 2 325.391 2.307 20 30 EEEDLO N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000611566527 469282128 /nfs/dbraw/zinc/28/21/28/469282128.db2.gz SEVFPARDAMHWRV-GDBMZVCRSA-N 1 2 328.416 2.333 20 30 EEEDLO C=CCCC(C)(C)CNC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000602393429 469302477 /nfs/dbraw/zinc/30/24/77/469302477.db2.gz YMTLUAFESJUAFQ-QGZVFWFLSA-N 1 2 336.524 2.400 20 30 EEEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)CO1 ZINC000596641849 469319200 /nfs/dbraw/zinc/31/92/00/469319200.db2.gz YFPAJVSXBANHQN-VXGBXAGGSA-N 1 2 336.823 2.442 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)CO1 ZINC000596641849 469319205 /nfs/dbraw/zinc/31/92/05/469319205.db2.gz YFPAJVSXBANHQN-VXGBXAGGSA-N 1 2 336.823 2.442 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccnn3C(F)F)CC2)cc1 ZINC000596655971 469323438 /nfs/dbraw/zinc/32/34/38/469323438.db2.gz AUQWTZHBVKXNNM-UHFFFAOYSA-N 1 2 345.353 2.108 20 30 EEEDLO CO[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC000596658999 469324422 /nfs/dbraw/zinc/32/44/22/469324422.db2.gz RGOSAPXQGFPKPT-SFHVURJKSA-N 1 2 327.428 2.018 20 30 EEEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000599701446 469343859 /nfs/dbraw/zinc/34/38/59/469343859.db2.gz KCYWWFBYEMLLJI-QGZVFWFLSA-N 1 2 342.370 2.332 20 30 EEEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCOc2cc(F)ccc2C1 ZINC000599701446 469343862 /nfs/dbraw/zinc/34/38/62/469343862.db2.gz KCYWWFBYEMLLJI-QGZVFWFLSA-N 1 2 342.370 2.332 20 30 EEEDLO Cc1cc(NC(=O)N2CCN(c3ccsc3C#N)CC2)c(C)c[nH+]1 ZINC000596815928 469367265 /nfs/dbraw/zinc/36/72/65/469367265.db2.gz ZDCBYYGALHFHHF-UHFFFAOYSA-N 1 2 341.440 2.408 20 30 EEEDLO C[C@@H](CC1(C#N)CCOCC1)Nc1cccc(CN2CCOCC2)[nH+]1 ZINC000602577663 469368994 /nfs/dbraw/zinc/36/89/94/469368994.db2.gz IKOCEYOITNXYFD-INIZCTEOSA-N 1 2 344.459 2.425 20 30 EEEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000604492739 469483390 /nfs/dbraw/zinc/48/33/90/469483390.db2.gz CJIZKXVSUVTJMU-UHFFFAOYSA-N 1 2 336.399 2.351 20 30 EEEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000604492739 469483392 /nfs/dbraw/zinc/48/33/92/469483392.db2.gz CJIZKXVSUVTJMU-UHFFFAOYSA-N 1 2 336.399 2.351 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1cc2ccccc2o1 ZINC000604538425 469488908 /nfs/dbraw/zinc/48/89/08/469488908.db2.gz 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N#Cc1cc(O)cc(C(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000614296981 469902001 /nfs/dbraw/zinc/90/20/01/469902001.db2.gz FFWBOIRKKBYVOX-UHFFFAOYSA-N 1 2 327.409 2.113 20 30 EEEDLO N#Cc1cc(O)cc(C(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000614296981 469902005 /nfs/dbraw/zinc/90/20/05/469902005.db2.gz FFWBOIRKKBYVOX-UHFFFAOYSA-N 1 2 327.409 2.113 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000609537962 469937088 /nfs/dbraw/zinc/93/70/88/469937088.db2.gz GNLQKZVCNBITDK-KSZLIROESA-N 1 2 334.508 2.189 20 30 EEEDLO FC(F)(F)C(F)(F)COCC[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645936551 470466580 /nfs/dbraw/zinc/46/65/80/470466580.db2.gz DZKXPWCKJDOUGN-VIFPVBQESA-N 1 2 338.267 2.226 20 30 EEEDLO FC(F)(F)C(F)(F)COCC[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645936551 470466583 /nfs/dbraw/zinc/46/65/83/470466583.db2.gz DZKXPWCKJDOUGN-VIFPVBQESA-N 1 2 338.267 2.226 20 30 EEEDLO Cc1cc(C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c(C)n1Cc1ccco1 ZINC000646031242 470499454 /nfs/dbraw/zinc/49/94/54/470499454.db2.gz SBSJIASYAMESQC-LJQANCHMSA-N 1 2 341.411 2.279 20 30 EEEDLO Cc1cc(C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c(C)n1Cc1ccco1 ZINC000646031242 470499457 /nfs/dbraw/zinc/49/94/57/470499457.db2.gz SBSJIASYAMESQC-LJQANCHMSA-N 1 2 341.411 2.279 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000648110123 471089001 /nfs/dbraw/zinc/08/90/01/471089001.db2.gz DIXQPTFVIOCZDI-IKGGRYGDSA-N 1 2 341.411 2.225 20 30 EEEDLO C=CCn1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)nn1 ZINC000648356776 471179132 /nfs/dbraw/zinc/17/91/32/471179132.db2.gz MKVYYQIDYZWQLI-ZDUSSCGKSA-N 1 2 331.445 2.045 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)[C@H](C)COC ZINC000661245842 471687380 /nfs/dbraw/zinc/68/73/80/471687380.db2.gz FRQZSVFVZFDABK-OAHLLOKOSA-N 1 2 345.443 2.275 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)[C@H](C)COC ZINC000661245842 471687384 /nfs/dbraw/zinc/68/73/84/471687384.db2.gz FRQZSVFVZFDABK-OAHLLOKOSA-N 1 2 345.443 2.275 20 30 EEEDLO CCC#C[C@@H](C)n1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000665686615 472137748 /nfs/dbraw/zinc/13/77/48/472137748.db2.gz ZRJLLHORYRPGOW-NVXWUHKLSA-N 1 2 325.416 2.221 20 30 EEEDLO CCC#C[C@@H](C)n1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000665686615 472137751 /nfs/dbraw/zinc/13/77/51/472137751.db2.gz ZRJLLHORYRPGOW-NVXWUHKLSA-N 1 2 325.416 2.221 20 30 EEEDLO CC#CCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000365700892 526376069 /nfs/dbraw/zinc/37/60/69/526376069.db2.gz AFMFDPAUXJFCRV-HOTGVXAUSA-N 1 2 335.835 2.034 20 30 EEEDLO CC#CCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000365700892 526376071 /nfs/dbraw/zinc/37/60/71/526376071.db2.gz AFMFDPAUXJFCRV-HOTGVXAUSA-N 1 2 335.835 2.034 20 30 EEEDLO C=C(C)C[NH+]1CCC(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000106036838 526602131 /nfs/dbraw/zinc/60/21/31/526602131.db2.gz UQRJYUPYPGMOCE-UHFFFAOYSA-N 1 2 343.387 2.241 20 30 EEEDLO C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc[nH+]cc2C)c1 ZINC000107288859 526678088 /nfs/dbraw/zinc/67/80/88/526678088.db2.gz HTBLNEUYDULIGU-UHFFFAOYSA-N 1 2 331.397 2.107 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605872 527938386 /nfs/dbraw/zinc/93/83/86/527938386.db2.gz KGTXZPKJVKHXDG-UGSOOPFHSA-N 1 2 344.415 2.396 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605872 527938391 /nfs/dbraw/zinc/93/83/91/527938391.db2.gz KGTXZPKJVKHXDG-UGSOOPFHSA-N 1 2 344.415 2.396 20 30 EEEDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](CCC#N)CCC(C)C)C1 ZINC000350114213 528055804 /nfs/dbraw/zinc/05/58/04/528055804.db2.gz KFLUSGZDOSZWSN-INIZCTEOSA-N 1 2 337.464 2.050 20 30 EEEDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](CCC#N)CCC(C)C)C1 ZINC000350114213 528055809 /nfs/dbraw/zinc/05/58/09/528055809.db2.gz KFLUSGZDOSZWSN-INIZCTEOSA-N 1 2 337.464 2.050 20 30 EEEDLO CC(C)S(=O)(=O)CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000178222060 528301813 /nfs/dbraw/zinc/30/18/13/528301813.db2.gz WTEXQBDGERHTDY-UHFFFAOYSA-N 1 2 336.457 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/nfs/dbraw/zinc/70/21/21/577702121.db2.gz OTBVYVXOZHAQSR-UHFFFAOYSA-N 1 2 348.410 2.318 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(OCCCC)cc2C)CC1 ZINC000754301555 577804292 /nfs/dbraw/zinc/80/42/92/577804292.db2.gz LOYTWVBFIRPNBK-UHFFFAOYSA-N 1 2 343.471 2.363 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000754313520 577804425 /nfs/dbraw/zinc/80/44/25/577804425.db2.gz HVNNWXHHPBULGI-UHFFFAOYSA-N 1 2 339.361 2.203 20 30 EEEDLO C[N@H+](CC(F)F)C1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000742237566 577869427 /nfs/dbraw/zinc/86/94/27/577869427.db2.gz LRUZGHSKAZYVGB-UHFFFAOYSA-N 1 2 337.370 2.125 20 30 EEEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000742237566 577869428 /nfs/dbraw/zinc/86/94/28/577869428.db2.gz LRUZGHSKAZYVGB-UHFFFAOYSA-N 1 2 337.370 2.125 20 30 EEEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000744154071 577893682 /nfs/dbraw/zinc/89/36/82/577893682.db2.gz XHKUFIPOCCSXHG-LJQANCHMSA-N 1 2 327.428 2.395 20 30 EEEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000744154071 577893683 /nfs/dbraw/zinc/89/36/83/577893683.db2.gz XHKUFIPOCCSXHG-LJQANCHMSA-N 1 2 327.428 2.395 20 30 EEEDLO C[N@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000746851524 577934791 /nfs/dbraw/zinc/93/47/91/577934791.db2.gz TZLVZVHEFFHUAX-CQSZACIVSA-N 1 2 328.309 2.272 20 30 EEEDLO C[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000746851524 577934792 /nfs/dbraw/zinc/93/47/92/577934792.db2.gz TZLVZVHEFFHUAX-CQSZACIVSA-N 1 2 328.309 2.272 20 30 EEEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N ZINC000741148685 578113781 /nfs/dbraw/zinc/11/37/81/578113781.db2.gz KKWUIYJTYYHTFW-CZUORRHYSA-N 1 2 329.400 2.303 20 30 EEEDLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N ZINC000741148685 578113782 /nfs/dbraw/zinc/11/37/82/578113782.db2.gz KKWUIYJTYYHTFW-CZUORRHYSA-N 1 2 329.400 2.303 20 30 EEEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccn(CCC#N)n1 ZINC000735886299 578172426 /nfs/dbraw/zinc/17/24/26/578172426.db2.gz CJYKKDIOFFGSIU-ZDUSSCGKSA-N 1 2 329.408 2.230 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)c1 ZINC001010456382 674727720 /nfs/dbraw/zinc/72/77/20/674727720.db2.gz FDKXEERUZNKLNR-CYBMUJFWSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)c1 ZINC001010456382 674727723 /nfs/dbraw/zinc/72/77/23/674727723.db2.gz FDKXEERUZNKLNR-CYBMUJFWSA-N 1 2 330.338 2.169 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnc3cc(C)ccn32)C1 ZINC000969734907 675175286 /nfs/dbraw/zinc/17/52/86/675175286.db2.gz SLGBKESTNJZHMW-ZDUSSCGKSA-N 1 2 332.835 2.445 20 30 EEEDLO C[C@H](NC(=O)c1nccs1)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000970637171 676041086 /nfs/dbraw/zinc/04/10/86/676041086.db2.gz PQZHQDWMIFMNAE-NSHDSACASA-N 1 2 344.415 2.404 20 30 EEEDLO C=C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2nnc(CC)o2)C1)c1ccccc1 ZINC000970776541 676144414 /nfs/dbraw/zinc/14/44/14/676144414.db2.gz GCCAOSHFVNBSPE-CVEARBPZSA-N 1 2 340.427 2.292 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC000970884434 676214722 /nfs/dbraw/zinc/21/47/22/676214722.db2.gz RJLYJRRCZJNASR-SNVBAGLBSA-N 1 2 333.823 2.069 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](Cc3cncc(F)c3)C2)cc1 ZINC000970251041 675744648 /nfs/dbraw/zinc/74/46/48/675744648.db2.gz BVBTUDFZQJUOKL-CQSZACIVSA-N 1 2 337.398 2.452 20 30 EEEDLO Cc1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3cc(F)ccc3C#N)C2)no1 ZINC000971030372 676328190 /nfs/dbraw/zinc/32/81/90/676328190.db2.gz UHIGFRJSQUXUKJ-INIZCTEOSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3cc(F)ccc3C#N)C2)no1 ZINC000971030372 676328191 /nfs/dbraw/zinc/32/81/91/676328191.db2.gz UHIGFRJSQUXUKJ-INIZCTEOSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cc(F)ccc3C#N)C2)on1 ZINC000971067519 676351118 /nfs/dbraw/zinc/35/11/18/676351118.db2.gz HUASFMIWNFYDJP-MRXNPFEDSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(F)ccc3C#N)C2)on1 ZINC000971067519 676351121 /nfs/dbraw/zinc/35/11/21/676351121.db2.gz HUASFMIWNFYDJP-MRXNPFEDSA-N 1 2 342.374 2.340 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC2(C1)OCCO2 ZINC000160706043 676420315 /nfs/dbraw/zinc/42/03/15/676420315.db2.gz CWMCTZHHPHXKGK-AWEZNQCLSA-N 1 2 336.457 2.100 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC2(C1)OCCO2 ZINC000160706043 676420316 /nfs/dbraw/zinc/42/03/16/676420316.db2.gz CWMCTZHHPHXKGK-AWEZNQCLSA-N 1 2 336.457 2.100 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)C2=COCCC2)C1 ZINC000971195954 676438924 /nfs/dbraw/zinc/43/89/24/676438924.db2.gz WAAPWFKSOUYAEB-ZDUSSCGKSA-N 1 2 329.238 2.122 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)C2=COCCC2)C1 ZINC000971195954 676438925 /nfs/dbraw/zinc/43/89/25/676438925.db2.gz WAAPWFKSOUYAEB-ZDUSSCGKSA-N 1 2 329.238 2.122 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000971687685 676738475 /nfs/dbraw/zinc/73/84/75/676738475.db2.gz OERJVHDGEVVFMN-OAHLLOKOSA-N 1 2 328.416 2.317 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000971687685 676738477 /nfs/dbraw/zinc/73/84/77/676738477.db2.gz OERJVHDGEVVFMN-OAHLLOKOSA-N 1 2 328.416 2.317 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccon3)C[C@@H]21 ZINC001041951673 678021271 /nfs/dbraw/zinc/02/12/71/678021271.db2.gz DQEWIZUUHHSTEM-YPMHNXCESA-N 1 2 340.221 2.120 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccon3)C[C@@H]21 ZINC001041951673 678021274 /nfs/dbraw/zinc/02/12/74/678021274.db2.gz DQEWIZUUHHSTEM-YPMHNXCESA-N 1 2 340.221 2.120 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)CC(C)(F)F)C1 ZINC000972258630 678459369 /nfs/dbraw/zinc/45/93/69/678459369.db2.gz QZSLOCBNVQXTDR-SNVBAGLBSA-N 1 2 325.197 2.473 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)CC(C)(F)F)C1 ZINC000972258630 678459371 /nfs/dbraw/zinc/45/93/71/678459371.db2.gz QZSLOCBNVQXTDR-SNVBAGLBSA-N 1 2 325.197 2.473 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+]2CCc2c(F)cccc2F)c1 ZINC001038140585 678492521 /nfs/dbraw/zinc/49/25/21/678492521.db2.gz QFPMGWQSRWBRET-ZDUSSCGKSA-N 1 2 344.365 2.211 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2CCc2c(F)cccc2F)c1 ZINC001038140585 678492524 /nfs/dbraw/zinc/49/25/24/678492524.db2.gz QFPMGWQSRWBRET-ZDUSSCGKSA-N 1 2 344.365 2.211 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3sc(Cl)nc3C)C2)C1 ZINC000972396704 678679769 /nfs/dbraw/zinc/67/97/69/678679769.db2.gz BWNAICWSQIMNFE-OAHLLOKOSA-N 1 2 341.864 2.208 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3sc(Cl)nc3C)C2)C1 ZINC000972396704 678679770 /nfs/dbraw/zinc/67/97/70/678679770.db2.gz BWNAICWSQIMNFE-OAHLLOKOSA-N 1 2 341.864 2.208 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(OCCC)c3)C2)C1 ZINC000972404882 678689881 /nfs/dbraw/zinc/68/98/81/678689881.db2.gz ARBHDPHOUHNBSM-FQEVSTJZSA-N 1 2 342.439 2.026 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(OCCC)c3)C2)C1 ZINC000972404882 678689883 /nfs/dbraw/zinc/68/98/83/678689883.db2.gz ARBHDPHOUHNBSM-FQEVSTJZSA-N 1 2 342.439 2.026 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)c3c(C)noc3C)C2)C1 ZINC000972433764 678734708 /nfs/dbraw/zinc/73/47/08/678734708.db2.gz CIFDMEZBXSBOHB-KUHUBIRLSA-N 1 2 347.459 2.274 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)c3c(C)noc3C)C2)C1 ZINC000972433764 678734712 /nfs/dbraw/zinc/73/47/12/678734712.db2.gz CIFDMEZBXSBOHB-KUHUBIRLSA-N 1 2 347.459 2.274 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[C@@H]4C[C@@H]4CC3)C2)C1 ZINC000972479066 678843271 /nfs/dbraw/zinc/84/32/71/678843271.db2.gz PUJKAVXYKYJENF-GNBUJSLZSA-N 1 2 330.472 2.139 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[C@@H]4C[C@@H]4CC3)C2)C1 ZINC000972479066 678843273 /nfs/dbraw/zinc/84/32/73/678843273.db2.gz PUJKAVXYKYJENF-GNBUJSLZSA-N 1 2 330.472 2.139 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)c3cccs3)C2)C1 ZINC000972494732 678919799 /nfs/dbraw/zinc/91/97/99/678919799.db2.gz UIDNRHJDOPSDFP-LJQANCHMSA-N 1 2 346.496 2.352 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)c3cccs3)C2)C1 ZINC000972494732 678919803 /nfs/dbraw/zinc/91/98/03/678919803.db2.gz UIDNRHJDOPSDFP-LJQANCHMSA-N 1 2 346.496 2.352 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cncc4sccc43)C2)C1 ZINC000972512900 679130286 /nfs/dbraw/zinc/13/02/86/679130286.db2.gz APOWEZOYRVTRGD-SFHVURJKSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cncc4sccc43)C2)C1 ZINC000972512900 679130288 /nfs/dbraw/zinc/13/02/88/679130288.db2.gz APOWEZOYRVTRGD-SFHVURJKSA-N 1 2 343.452 2.399 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(C)no2)C1 ZINC001023227747 679187677 /nfs/dbraw/zinc/18/76/77/679187677.db2.gz SZCZIEYQLGIVAR-LBPRGKRZSA-N 1 2 342.237 2.333 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C)no2)C1 ZINC001023227747 679187678 /nfs/dbraw/zinc/18/76/78/679187678.db2.gz SZCZIEYQLGIVAR-LBPRGKRZSA-N 1 2 342.237 2.333 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccccc3-n3cccc3)C2)C1 ZINC000972533959 679195812 /nfs/dbraw/zinc/19/58/12/679195812.db2.gz IGYGVCPXIVAKQS-NRFANRHFSA-N 1 2 349.434 2.027 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccccc3-n3cccc3)C2)C1 ZINC000972533959 679195813 /nfs/dbraw/zinc/19/58/13/679195813.db2.gz IGYGVCPXIVAKQS-NRFANRHFSA-N 1 2 349.434 2.027 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3oc(CC(C)C)nc3C)C2)C1 ZINC000972591431 679380260 /nfs/dbraw/zinc/38/02/60/679380260.db2.gz BLRYUXKTTGCTGV-LJQANCHMSA-N 1 2 347.459 2.284 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3oc(CC(C)C)nc3C)C2)C1 ZINC000972591431 679380262 /nfs/dbraw/zinc/38/02/62/679380262.db2.gz BLRYUXKTTGCTGV-LJQANCHMSA-N 1 2 347.459 2.284 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3OCc4ccccc43)C2)C1 ZINC000972658349 679522447 /nfs/dbraw/zinc/52/24/47/679522447.db2.gz DODWOHMAVNGCRT-ICSRJNTNSA-N 1 2 342.439 2.137 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3OCc4ccccc43)C2)C1 ZINC000972658349 679522448 /nfs/dbraw/zinc/52/24/48/679522448.db2.gz DODWOHMAVNGCRT-ICSRJNTNSA-N 1 2 342.439 2.137 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC000972667324 679549965 /nfs/dbraw/zinc/54/99/65/679549965.db2.gz NHPBXSPTDHQSPA-FQEVSTJZSA-N 1 2 337.423 2.108 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC000972667324 679549968 /nfs/dbraw/zinc/54/99/68/679549968.db2.gz NHPBXSPTDHQSPA-FQEVSTJZSA-N 1 2 337.423 2.108 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)[C@H](C)c3ncc(C)o3)C2)cn1 ZINC000972757243 679750175 /nfs/dbraw/zinc/75/01/75/679750175.db2.gz WZBKMGCHMSSWBQ-PBHICJAKSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@H](C)c3ncc(C)o3)C2)cn1 ZINC000972757243 679750177 /nfs/dbraw/zinc/75/01/77/679750177.db2.gz WZBKMGCHMSSWBQ-PBHICJAKSA-N 1 2 338.411 2.267 20 30 EEEDLO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cscn1 ZINC000947205933 679877240 /nfs/dbraw/zinc/87/72/40/679877240.db2.gz YVTDQFVSYZSWQQ-DGCLKSJQSA-N 1 2 329.429 2.126 20 30 EEEDLO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1cscn1 ZINC000947205933 679877241 /nfs/dbraw/zinc/87/72/41/679877241.db2.gz 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C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001024515540 680018687 /nfs/dbraw/zinc/01/86/87/680018687.db2.gz UYWBYFNECLCHOJ-GJZGRUSLSA-N 1 2 336.867 2.169 20 30 EEEDLO C=CCOC[C@H]([NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)C(=O)OC ZINC000894192774 681203151 /nfs/dbraw/zinc/20/31/51/681203151.db2.gz PIBVQAWRVGAXPW-ZACQAIPSSA-N 1 2 325.449 2.306 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc2[nH]c(=O)oc21 ZINC001028355546 681226495 /nfs/dbraw/zinc/22/64/95/681226495.db2.gz NZLQNGSCIJGVDC-LLVKDONJSA-N 1 2 335.791 2.480 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc2[nH]c(=O)oc21 ZINC001028355546 681226502 /nfs/dbraw/zinc/22/65/02/681226502.db2.gz NZLQNGSCIJGVDC-LLVKDONJSA-N 1 2 335.791 2.480 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]([C@@H](C)c2csnn2)C1 ZINC001028594055 681263183 /nfs/dbraw/zinc/26/31/83/681263183.db2.gz ZWDSRGZMCOIWFZ-UONOGXRCSA-N 1 2 345.472 2.339 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]([C@@H](C)c2csnn2)C1 ZINC001028594055 681263189 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ZINC001076019494 1188663389 /nfs/dbraw/zinc/66/33/89/1188663389.db2.gz OCVBTJJRMLSSGD-LSDHHAIUSA-N 1 2 334.851 2.301 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3nc(C)c(C)nc3C)[C@@H]2C1 ZINC001076019494 1188663391 /nfs/dbraw/zinc/66/33/91/1188663391.db2.gz OCVBTJJRMLSSGD-LSDHHAIUSA-N 1 2 334.851 2.301 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@@H](C)CCNC(=O)C#CC(C)C)c(C)[nH+]1 ZINC001076411329 1188898592 /nfs/dbraw/zinc/89/85/92/1188898592.db2.gz CXSWSHAFMZOHKJ-AWEZNQCLSA-N 1 2 329.444 2.291 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C(C)C)nn3C)[C@@H]2C1 ZINC001076420702 1188903474 /nfs/dbraw/zinc/90/34/74/1188903474.db2.gz CCMMOJYTGDRSQL-XJKSGUPXSA-N 1 2 336.867 2.442 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C(C)C)nn3C)[C@@H]2C1 ZINC001076420702 1188903477 /nfs/dbraw/zinc/90/34/77/1188903477.db2.gz CCMMOJYTGDRSQL-XJKSGUPXSA-N 1 2 336.867 2.442 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccnc(Cl)c1)C2 ZINC001272880109 1193590654 /nfs/dbraw/zinc/59/06/54/1193590654.db2.gz XDSFKZYQBHBYMQ-GOSISDBHSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccnc(Cl)c1)C2 ZINC001272880109 1193590655 /nfs/dbraw/zinc/59/06/55/1193590655.db2.gz XDSFKZYQBHBYMQ-GOSISDBHSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1ccc(=O)[nH]c1 ZINC001484766838 1191521367 /nfs/dbraw/zinc/52/13/67/1191521367.db2.gz JEGQWHLVVCAWDK-UHFFFAOYSA-N 1 2 342.237 2.090 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1ccc(=O)[nH]c1 ZINC001484766838 1191521369 /nfs/dbraw/zinc/52/13/69/1191521369.db2.gz JEGQWHLVVCAWDK-UHFFFAOYSA-N 1 2 342.237 2.090 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(Cl)ccn1)C2 ZINC001272966110 1194274945 /nfs/dbraw/zinc/27/49/45/1194274945.db2.gz NFYVERGHUJJPCG-SFHVURJKSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(Cl)ccn1)C2 ZINC001272966110 1194274947 /nfs/dbraw/zinc/27/49/47/1194274947.db2.gz NFYVERGHUJJPCG-SFHVURJKSA-N 1 2 349.862 2.362 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001108106685 1194434441 /nfs/dbraw/zinc/43/44/41/1194434441.db2.gz CBIBBJRGRKAKPO-AWEZNQCLSA-N 1 2 332.231 2.328 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001108106685 1194434443 /nfs/dbraw/zinc/43/44/43/1194434443.db2.gz CBIBBJRGRKAKPO-AWEZNQCLSA-N 1 2 332.231 2.328 20 30 EEEDLO C=CCCOCC(=O)NCc1cnn2c1C[N@H+](CCCCCC)CC2 ZINC001128602273 1194469569 /nfs/dbraw/zinc/46/95/69/1194469569.db2.gz BXDNUFRBMNLOSA-UHFFFAOYSA-N 1 2 348.491 2.488 20 30 EEEDLO C=CCCOCC(=O)NCc1cnn2c1C[N@@H+](CCCCCC)CC2 ZINC001128602273 1194469572 /nfs/dbraw/zinc/46/95/72/1194469572.db2.gz BXDNUFRBMNLOSA-UHFFFAOYSA-N 1 2 348.491 2.488 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cncc(OC)n3)C2)CC1 ZINC001033388608 1194520777 /nfs/dbraw/zinc/52/07/77/1194520777.db2.gz DPVUYGMKBDXIBW-KRWDZBQOSA-N 1 2 344.459 2.264 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](Cc3cncc(OC)n3)C2)CC1 ZINC001033388608 1194520780 /nfs/dbraw/zinc/52/07/80/1194520780.db2.gz DPVUYGMKBDXIBW-KRWDZBQOSA-N 1 2 344.459 2.264 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cnnn3CC)C2)CC1 ZINC001033389239 1194521698 /nfs/dbraw/zinc/52/16/98/1194521698.db2.gz KYLUQXYDUKEMNX-MRXNPFEDSA-N 1 2 331.464 2.077 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cnnn3CC)C2)CC1 ZINC001033389239 1194521701 /nfs/dbraw/zinc/52/17/01/1194521701.db2.gz KYLUQXYDUKEMNX-MRXNPFEDSA-N 1 2 331.464 2.077 20 30 EEEDLO CCc1nocc1C(=O)N(C)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033401634 1194544918 /nfs/dbraw/zinc/54/49/18/1194544918.db2.gz WIOBMYMCGGRBFY-KRWDZBQOSA-N 1 2 337.423 2.435 20 30 EEEDLO CCc1nocc1C(=O)N(C)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033401634 1194544921 /nfs/dbraw/zinc/54/49/21/1194544921.db2.gz WIOBMYMCGGRBFY-KRWDZBQOSA-N 1 2 337.423 2.435 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c3ccccc3nn2C)C1 ZINC001033557598 1194726610 /nfs/dbraw/zinc/72/66/10/1194726610.db2.gz ILVOOJMCRQVXEG-CYBMUJFWSA-N 1 2 332.835 2.472 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c3ccccc3nn2C)C1 ZINC001033557598 1194726612 /nfs/dbraw/zinc/72/66/12/1194726612.db2.gz ILVOOJMCRQVXEG-CYBMUJFWSA-N 1 2 332.835 2.472 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+]([C@@H](C)c3ncc(C)o3)C2)cn1 ZINC001033599986 1194936786 /nfs/dbraw/zinc/93/67/86/1194936786.db2.gz VWSLOICWIQMSFJ-WMLDXEAASA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+]([C@@H](C)c3ncc(C)o3)C2)cn1 ZINC001033599986 1194936787 /nfs/dbraw/zinc/93/67/87/1194936787.db2.gz VWSLOICWIQMSFJ-WMLDXEAASA-N 1 2 338.411 2.267 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]2C)CC1 ZINC001005241581 1194970932 /nfs/dbraw/zinc/97/09/32/1194970932.db2.gz IBIXTVQRSNGCPJ-YOEHRIQHSA-N 1 2 344.459 2.052 20 30 EEEDLO CN(C(=O)Cc1ccc[nH]1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033674588 1195053174 /nfs/dbraw/zinc/05/31/74/1195053174.db2.gz ASMJOJJPEWVMNW-GOSISDBHSA-N 1 2 340.402 2.301 20 30 EEEDLO CN(C(=O)Cc1ccc[nH]1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033674588 1195053179 /nfs/dbraw/zinc/05/31/79/1195053179.db2.gz ASMJOJJPEWVMNW-GOSISDBHSA-N 1 2 340.402 2.301 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC001033800959 1195273507 /nfs/dbraw/zinc/27/35/07/1195273507.db2.gz FOHQDVCQCHDGJM-ZFWWWQNUSA-N 1 2 341.415 2.480 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC001033800959 1195273508 /nfs/dbraw/zinc/27/35/08/1195273508.db2.gz FOHQDVCQCHDGJM-ZFWWWQNUSA-N 1 2 341.415 2.480 20 30 EEEDLO CCc1cnc(C[N@H+]2CC[C@@H](N(CC)C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001033801595 1195302810 /nfs/dbraw/zinc/30/28/10/1195302810.db2.gz VPOFIUHUOWBFOS-CQSZACIVSA-N 1 2 341.415 2.173 20 30 EEEDLO CCc1cnc(C[N@@H+]2CC[C@@H](N(CC)C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001033801595 1195302813 /nfs/dbraw/zinc/30/28/13/1195302813.db2.gz VPOFIUHUOWBFOS-CQSZACIVSA-N 1 2 341.415 2.173 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnc3n[nH]cc3c2)C1 ZINC001033870192 1195424096 /nfs/dbraw/zinc/42/40/96/1195424096.db2.gz CDGAKUKQSLJFFN-AWEZNQCLSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnc3n[nH]cc3c2)C1 ZINC001033870192 1195424099 /nfs/dbraw/zinc/42/40/99/1195424099.db2.gz CDGAKUKQSLJFFN-AWEZNQCLSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3cnnn3CC)C2)CC1 ZINC001033946830 1195545606 /nfs/dbraw/zinc/54/56/06/1195545606.db2.gz YTFDRCMGVHCUBM-QGZVFWFLSA-N 1 2 345.491 2.467 20 30 EEEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3cnnn3CC)C2)CC1 ZINC001033946830 1195545611 /nfs/dbraw/zinc/54/56/11/1195545611.db2.gz YTFDRCMGVHCUBM-QGZVFWFLSA-N 1 2 345.491 2.467 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2c3c(nn2C)CCC3)C1 ZINC001034012104 1195631084 /nfs/dbraw/zinc/63/10/84/1195631084.db2.gz OPTVCWJNDLFIGZ-CYBMUJFWSA-N 1 2 336.867 2.198 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2c3c(nn2C)CCC3)C1 ZINC001034012104 1195631087 /nfs/dbraw/zinc/63/10/87/1195631087.db2.gz OPTVCWJNDLFIGZ-CYBMUJFWSA-N 1 2 336.867 2.198 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c(=O)ccoc3c2)C1 ZINC001034012295 1195631308 /nfs/dbraw/zinc/63/13/08/1195631308.db2.gz FBLYFIHYKSFMCH-MRXNPFEDSA-N 1 2 338.407 2.353 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c(=O)ccoc3c2)C1 ZINC001034012295 1195631313 /nfs/dbraw/zinc/63/13/13/1195631313.db2.gz FBLYFIHYKSFMCH-MRXNPFEDSA-N 1 2 338.407 2.353 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)c(C)o1 ZINC001034165694 1195883862 /nfs/dbraw/zinc/88/38/62/1195883862.db2.gz PGCNBLCSPQBADG-OAHLLOKOSA-N 1 2 341.415 2.276 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)c(C)o1 ZINC001034165694 1195883865 /nfs/dbraw/zinc/88/38/65/1195883865.db2.gz PGCNBLCSPQBADG-OAHLLOKOSA-N 1 2 341.415 2.276 20 30 EEEDLO C[C@@H](c1ncccn1)[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001034165833 1195884881 /nfs/dbraw/zinc/88/48/81/1195884881.db2.gz RALKEDWNUXHJMP-ZFWWWQNUSA-N 1 2 338.415 2.022 20 30 EEEDLO C[C@@H](c1ncccn1)[N@H+]1CCCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001034165833 1195884888 /nfs/dbraw/zinc/88/48/88/1195884888.db2.gz RALKEDWNUXHJMP-ZFWWWQNUSA-N 1 2 338.415 2.022 20 30 EEEDLO Cc1csc(C[N@@H+]2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001034172716 1195897618 /nfs/dbraw/zinc/89/76/18/1195897618.db2.gz NEFMAMWZBUVJQZ-AWEZNQCLSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1csc(C[N@H+]2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001034172716 1195897623 /nfs/dbraw/zinc/89/76/23/1195897623.db2.gz NEFMAMWZBUVJQZ-AWEZNQCLSA-N 1 2 343.456 2.436 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC001034196667 1195932436 /nfs/dbraw/zinc/93/24/36/1195932436.db2.gz OTGCWJLAYWFTFL-LBPRGKRZSA-N 1 2 341.253 2.211 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC001034196667 1195932439 /nfs/dbraw/zinc/93/24/39/1195932439.db2.gz OTGCWJLAYWFTFL-LBPRGKRZSA-N 1 2 341.253 2.211 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](Cc3ncc(C)o3)C2)cn1 ZINC001034500018 1196324065 /nfs/dbraw/zinc/32/40/65/1196324065.db2.gz ZHMFPUJIOMVWAP-KRWDZBQOSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](Cc3ncc(C)o3)C2)cn1 ZINC001034500018 1196324067 /nfs/dbraw/zinc/32/40/67/1196324067.db2.gz ZHMFPUJIOMVWAP-KRWDZBQOSA-N 1 2 338.411 2.144 20 30 EEEDLO C[C@H](CNc1ncc(C#N)cc1Cl)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001108148760 1196634534 /nfs/dbraw/zinc/63/45/34/1196634534.db2.gz UDEIQCBNZTVWGH-WDEREUQCSA-N 1 2 346.822 2.125 20 30 EEEDLO C[C@H](CNc1ncc(C#N)cc1Cl)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001108148760 1196634536 /nfs/dbraw/zinc/63/45/36/1196634536.db2.gz UDEIQCBNZTVWGH-WDEREUQCSA-N 1 2 346.822 2.125 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](c2ccncc2)C(C)C)C1 ZINC001108160929 1196740496 /nfs/dbraw/zinc/74/04/96/1196740496.db2.gz XHCRLUXWDKYMOM-HKUYNNGSSA-N 1 2 331.460 2.214 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](c2ccncc2)C(C)C)C1 ZINC001108160929 1196740499 /nfs/dbraw/zinc/74/04/99/1196740499.db2.gz XHCRLUXWDKYMOM-HKUYNNGSSA-N 1 2 331.460 2.214 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC(C)(F)F ZINC001114479862 1197735639 /nfs/dbraw/zinc/73/56/39/1197735639.db2.gz BRTWYKCQOZNJTN-IAZYJMLFSA-N 1 2 337.208 2.377 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC(C)(F)F ZINC001114479862 1197735642 /nfs/dbraw/zinc/73/56/42/1197735642.db2.gz BRTWYKCQOZNJTN-IAZYJMLFSA-N 1 2 337.208 2.377 20 30 EEEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000875106517 1199139030 /nfs/dbraw/zinc/13/90/30/1199139030.db2.gz SSBDNQSHDGKBLZ-WMLDXEAASA-N 1 2 330.432 2.029 20 30 EEEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000875106517 1199139032 /nfs/dbraw/zinc/13/90/32/1199139032.db2.gz SSBDNQSHDGKBLZ-WMLDXEAASA-N 1 2 330.432 2.029 20 30 EEEDLO Cc1cc(C[N@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)nn1C ZINC001132034799 1199219608 /nfs/dbraw/zinc/21/96/08/1199219608.db2.gz VLBUUTMOVDVRMU-GOEBONIOSA-N 1 2 330.476 2.247 20 30 EEEDLO Cc1cc(C[N@@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)nn1C ZINC001132034799 1199219611 /nfs/dbraw/zinc/21/96/11/1199219611.db2.gz VLBUUTMOVDVRMU-GOEBONIOSA-N 1 2 330.476 2.247 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccncc2Cl)C1 ZINC001132041951 1199227421 /nfs/dbraw/zinc/22/74/21/1199227421.db2.gz NSZVIJQCGOTIQB-GDBMZVCRSA-N 1 2 349.862 2.244 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccncc2Cl)C1 ZINC001132041951 1199227425 /nfs/dbraw/zinc/22/74/25/1199227425.db2.gz NSZVIJQCGOTIQB-GDBMZVCRSA-N 1 2 349.862 2.244 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2ccc(=O)[nH]c2)CC[C@H]1C ZINC001132240374 1199489581 /nfs/dbraw/zinc/48/95/81/1199489581.db2.gz FXESPUZYQXZRTC-UKRRQHHQSA-N 1 2 337.851 2.441 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2ccc(=O)[nH]c2)CC[C@H]1C ZINC001132240374 1199489584 /nfs/dbraw/zinc/48/95/84/1199489584.db2.gz FXESPUZYQXZRTC-UKRRQHHQSA-N 1 2 337.851 2.441 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001095323700 1200293132 /nfs/dbraw/zinc/29/31/32/1200293132.db2.gz YYHYLYZAFPTXSR-ZDUSSCGKSA-N 1 2 328.420 2.123 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N(C)C(C)C)cc1 ZINC001018339383 1224624032 /nfs/dbraw/zinc/62/40/32/1224624032.db2.gz NPJSJVGXSKFOBV-KDURUIRLSA-N 1 2 325.456 2.453 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N(C)C(C)C)cc1 ZINC001018339383 1224624035 /nfs/dbraw/zinc/62/40/35/1224624035.db2.gz NPJSJVGXSKFOBV-KDURUIRLSA-N 1 2 325.456 2.453 20 30 EEEDLO N#Cc1cc(F)ccc1N1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000879589404 1201160498 /nfs/dbraw/zinc/16/04/98/1201160498.db2.gz SVVFFSZISSTCSO-UHFFFAOYSA-N 1 2 331.313 2.398 20 30 EEEDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000879765715 1201248101 /nfs/dbraw/zinc/24/81/01/1201248101.db2.gz QKVLYMMMDVUXOD-OAHLLOKOSA-N 1 2 341.333 2.080 20 30 EEEDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000879765715 1201248107 /nfs/dbraw/zinc/24/81/07/1201248107.db2.gz QKVLYMMMDVUXOD-OAHLLOKOSA-N 1 2 341.333 2.080 20 30 EEEDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000879768162 1201249182 /nfs/dbraw/zinc/24/91/82/1201249182.db2.gz XODHOIRBSYKNDV-OAHLLOKOSA-N 1 2 325.334 2.244 20 30 EEEDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000879768162 1201249184 /nfs/dbraw/zinc/24/91/84/1201249184.db2.gz XODHOIRBSYKNDV-OAHLLOKOSA-N 1 2 325.334 2.244 20 30 EEEDLO COC(=O)CC[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000880040122 1201360097 /nfs/dbraw/zinc/36/00/97/1201360097.db2.gz RSQXBEJSHDXKLF-LBPRGKRZSA-N 1 2 335.429 2.223 20 30 EEEDLO COC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000880040122 1201360104 /nfs/dbraw/zinc/36/01/04/1201360104.db2.gz RSQXBEJSHDXKLF-LBPRGKRZSA-N 1 2 335.429 2.223 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001018392988 1224668262 /nfs/dbraw/zinc/66/82/62/1224668262.db2.gz FXUNIBCWUQTPLL-GOEBONIOSA-N 1 2 344.459 2.194 20 30 EEEDLO C[C@@H](NC(=O)Nc1cc(C#N)c(F)cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000880714991 1201566407 /nfs/dbraw/zinc/56/64/07/1201566407.db2.gz GPFLAZHRXJYPPO-MNOVXSKESA-N 1 2 338.358 2.067 20 30 EEEDLO Cc1cc(N2C[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C2)nc(C(C)C)[nH+]1 ZINC001114440191 1201952517 /nfs/dbraw/zinc/95/25/17/1201952517.db2.gz SJJZQZOCJRWDMB-JSGCOSHPSA-N 1 2 329.448 2.399 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC001202619088 1202191699 /nfs/dbraw/zinc/19/16/99/1202191699.db2.gz ZOMAYDGMKCGWMN-MNOVXSKESA-N 1 2 338.345 2.106 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[C@H]([NH2+]Cc2noc(C3CC3)n2)C12CCC2 ZINC001202624867 1202195842 /nfs/dbraw/zinc/19/58/42/1202195842.db2.gz JWJXCVALHHERCU-UONOGXRCSA-N 1 2 330.432 2.430 20 30 EEEDLO N#C[C@@]1(F)CCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000890253210 1202463306 /nfs/dbraw/zinc/46/33/06/1202463306.db2.gz YFGLXOPJILXKEE-WBVHZDCISA-N 1 2 327.363 2.272 20 30 EEEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cnc(F)cc1Cl)CC2 ZINC001274091165 1204365341 /nfs/dbraw/zinc/36/53/41/1204365341.db2.gz JQLGPLGKUCOGRT-ZDUSSCGKSA-N 1 2 335.810 2.226 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2[nH]nc3cc(OC)ccc32)C1=O ZINC001274246628 1204974060 /nfs/dbraw/zinc/97/40/60/1204974060.db2.gz BMPNQLXSNOZFHY-LJQANCHMSA-N 1 2 340.427 2.324 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2[nH]nc3cc(OC)ccc32)C1=O ZINC001274246628 1204974063 /nfs/dbraw/zinc/97/40/63/1204974063.db2.gz BMPNQLXSNOZFHY-LJQANCHMSA-N 1 2 340.427 2.324 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2ncccc2C(F)(F)F)C1=O ZINC001274246612 1204974204 /nfs/dbraw/zinc/97/42/04/1204974204.db2.gz YDZDGLCYJNPNSL-INIZCTEOSA-N 1 2 337.345 2.301 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ncccc2C(F)(F)F)C1=O ZINC001274246612 1204974207 /nfs/dbraw/zinc/97/42/07/1204974207.db2.gz YDZDGLCYJNPNSL-INIZCTEOSA-N 1 2 337.345 2.301 20 30 EEEDLO C=CCN1CC[C@@]2(CCCN2c2nc(N3CCCC3)c(C)c[nH+]2)C1=O ZINC001274731352 1205146503 /nfs/dbraw/zinc/14/65/03/1205146503.db2.gz NHVQOIBIBHPVET-IBGZPJMESA-N 1 2 341.459 2.143 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001095580616 1205880846 /nfs/dbraw/zinc/88/08/46/1205880846.db2.gz LGCMFSGNFXMGOF-OAHLLOKOSA-N 1 2 334.464 2.442 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(OC)n1 ZINC001110933612 1206314503 /nfs/dbraw/zinc/31/45/03/1206314503.db2.gz OSTGXZUMZONGMO-SVGFKBNWSA-N 1 2 344.459 2.309 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(OC)n1 ZINC001110933612 1206314504 /nfs/dbraw/zinc/31/45/04/1206314504.db2.gz OSTGXZUMZONGMO-SVGFKBNWSA-N 1 2 344.459 2.309 20 30 EEEDLO COC(=O)c1cncc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000931547786 1207409665 /nfs/dbraw/zinc/40/96/65/1207409665.db2.gz SQCFCZUZKOPONJ-UHFFFAOYSA-N 1 2 336.395 2.062 20 30 EEEDLO CCCc1nc(C[NH2+]C2(CNC(=O)[C@@H](C)C#N)CCCCC2)no1 ZINC001115451687 1208261815 /nfs/dbraw/zinc/26/18/15/1208261815.db2.gz CJWCRKJJJQLZHH-ZDUSSCGKSA-N 1 2 333.436 2.090 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@]1(O)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001111120319 1208269557 /nfs/dbraw/zinc/26/95/57/1208269557.db2.gz SMFOFULCWNNKMK-ORAYPTAESA-N 1 2 346.475 2.062 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@]1(O)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001111128683 1208274578 /nfs/dbraw/zinc/27/45/78/1208274578.db2.gz NXNLMPICVFCNAD-OALUTQOASA-N 1 2 346.475 2.062 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)sn1 ZINC000948910369 1209448046 /nfs/dbraw/zinc/44/80/46/1209448046.db2.gz PILHPJHMDVJLMS-KRWDZBQOSA-N 1 2 325.437 2.414 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)sn1 ZINC000948910369 1209448049 /nfs/dbraw/zinc/44/80/49/1209448049.db2.gz PILHPJHMDVJLMS-KRWDZBQOSA-N 1 2 325.437 2.414 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1nn(C)cc1C ZINC000948915590 1209450452 /nfs/dbraw/zinc/45/04/52/1209450452.db2.gz CGVQACBZVUEKNY-GOSISDBHSA-N 1 2 336.439 2.081 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1nn(C)cc1C ZINC000948915590 1209450455 /nfs/dbraw/zinc/45/04/55/1209450455.db2.gz CGVQACBZVUEKNY-GOSISDBHSA-N 1 2 336.439 2.081 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2c([nH]1)CCOC2 ZINC000948923773 1209455390 /nfs/dbraw/zinc/45/53/90/1209455390.db2.gz SPIRLSGDVQLVFQ-HXUWFJFHSA-N 1 2 349.434 2.050 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2c([nH]1)CCOC2 ZINC000948923773 1209455392 /nfs/dbraw/zinc/45/53/92/1209455392.db2.gz SPIRLSGDVQLVFQ-HXUWFJFHSA-N 1 2 349.434 2.050 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2n(n1)CCCC2 ZINC000948927978 1209457443 /nfs/dbraw/zinc/45/74/43/1209457443.db2.gz GEINYPUGRDODCP-HXUWFJFHSA-N 1 2 348.450 2.182 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2n(n1)CCCC2 ZINC000948927978 1209457445 /nfs/dbraw/zinc/45/74/45/1209457445.db2.gz GEINYPUGRDODCP-HXUWFJFHSA-N 1 2 348.450 2.182 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ncccc1OC ZINC000948982870 1209488491 /nfs/dbraw/zinc/48/84/91/1209488491.db2.gz SAUIPTMDSLIRNL-GOSISDBHSA-N 1 2 349.434 2.443 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ncccc1OC ZINC000948982870 1209488492 /nfs/dbraw/zinc/48/84/92/1209488492.db2.gz SAUIPTMDSLIRNL-GOSISDBHSA-N 1 2 349.434 2.443 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cccnc1N(C)C ZINC000948985827 1209490065 /nfs/dbraw/zinc/49/00/65/1209490065.db2.gz GHJLOMXWDDSADO-LJQANCHMSA-N 1 2 348.450 2.110 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cccnc1N(C)C ZINC000948985827 1209490068 /nfs/dbraw/zinc/49/00/68/1209490068.db2.gz GHJLOMXWDDSADO-LJQANCHMSA-N 1 2 348.450 2.110 20 30 EEEDLO C[C@@H]1OCC[C@@]1(C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000949448572 1209690769 /nfs/dbraw/zinc/69/07/69/1209690769.db2.gz XUXSIHVNMBEHIF-HNAYVOBHSA-N 1 2 327.428 2.018 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000950051190 1209998814 /nfs/dbraw/zinc/99/88/14/1209998814.db2.gz HILNTMDIRLJOFC-SFHVURJKSA-N 1 2 328.416 2.469 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]C[C@H](O)c2cccc(F)c2)C1 ZINC000779395089 1210112607 /nfs/dbraw/zinc/11/26/07/1210112607.db2.gz KZDXXIOMLUPIMB-IMJJTQAJSA-N 1 2 349.406 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20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc[nH]3)C2)c(F)c1 ZINC001006741418 1221918640 /nfs/dbraw/zinc/91/86/40/1221918640.db2.gz ISCQHQCSNGBDLO-HNNXBMFYSA-N 1 2 326.375 2.420 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccc[nH]3)C2)c(F)c1 ZINC001006741418 1221918644 /nfs/dbraw/zinc/91/86/44/1221918644.db2.gz ISCQHQCSNGBDLO-HNNXBMFYSA-N 1 2 326.375 2.420 20 30 EEEDLO Cc1c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)cnn1C ZINC001006767676 1221931422 /nfs/dbraw/zinc/93/14/22/1221931422.db2.gz NMXMQNBFUBEDLZ-CYBMUJFWSA-N 1 2 343.456 2.056 20 30 EEEDLO Cc1c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)cnn1C ZINC001006767676 1221931426 /nfs/dbraw/zinc/93/14/26/1221931426.db2.gz NMXMQNBFUBEDLZ-CYBMUJFWSA-N 1 2 343.456 2.056 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)c1 ZINC001007041861 1222071629 /nfs/dbraw/zinc/07/16/29/1222071629.db2.gz FKOGFSNADLWJNE-SFHVURJKSA-N 1 2 332.407 2.132 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC001007041861 1222071632 /nfs/dbraw/zinc/07/16/32/1222071632.db2.gz FKOGFSNADLWJNE-SFHVURJKSA-N 1 2 332.407 2.132 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnn3c2cccc3OC)C1 ZINC001007443277 1222230687 /nfs/dbraw/zinc/23/06/87/1222230687.db2.gz LHUKOSMGOYBVTQ-CYBMUJFWSA-N 1 2 348.834 2.290 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn3c2cccc3OC)C1 ZINC001007443277 1222230689 /nfs/dbraw/zinc/23/06/89/1222230689.db2.gz LHUKOSMGOYBVTQ-CYBMUJFWSA-N 1 2 348.834 2.290 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001007811761 1222433793 /nfs/dbraw/zinc/43/37/93/1222433793.db2.gz OXUSSICSHJJHFC-OAHLLOKOSA-N 1 2 347.846 2.152 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001007811761 1222433796 /nfs/dbraw/zinc/43/37/96/1222433796.db2.gz OXUSSICSHJJHFC-OAHLLOKOSA-N 1 2 347.846 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001008013443 1222564896 /nfs/dbraw/zinc/56/48/96/1222564896.db2.gz CKUNVTYFIKGLOF-GFCCVEGCSA-N 1 2 333.823 2.213 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001008013443 1222564902 /nfs/dbraw/zinc/56/49/02/1222564902.db2.gz CKUNVTYFIKGLOF-GFCCVEGCSA-N 1 2 333.823 2.213 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CCN(CC(F)F)CC2)C1 ZINC001008317355 1222757911 /nfs/dbraw/zinc/75/79/11/1222757911.db2.gz QDWKMGBFARSDLT-AWEZNQCLSA-N 1 2 349.853 2.297 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CCN(CC(F)F)CC2)C1 ZINC001008317355 1222757913 /nfs/dbraw/zinc/75/79/13/1222757913.db2.gz QDWKMGBFARSDLT-AWEZNQCLSA-N 1 2 349.853 2.297 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)[nH]n1 ZINC001010343168 1223672329 /nfs/dbraw/zinc/67/23/29/1223672329.db2.gz SSONESWSOVYMTB-MRXNPFEDSA-N 1 2 342.830 2.227 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)[nH]n1 ZINC001010343168 1223672332 /nfs/dbraw/zinc/67/23/32/1223672332.db2.gz SSONESWSOVYMTB-MRXNPFEDSA-N 1 2 342.830 2.227 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1ccncc1F ZINC001010420502 1223713049 /nfs/dbraw/zinc/71/30/49/1223713049.db2.gz ZUOBCCIINUEEFR-MRXNPFEDSA-N 1 2 341.361 2.216 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)c1ccncc1F ZINC001010420502 1223713050 /nfs/dbraw/zinc/71/30/50/1223713050.db2.gz ZUOBCCIINUEEFR-MRXNPFEDSA-N 1 2 341.361 2.216 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)o1 ZINC001010432040 1223717048 /nfs/dbraw/zinc/71/70/48/1223717048.db2.gz LSAOVWGICDDFDC-OAHLLOKOSA-N 1 2 342.374 2.307 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)o1 ZINC001010432040 1223717050 /nfs/dbraw/zinc/71/70/50/1223717050.db2.gz LSAOVWGICDDFDC-OAHLLOKOSA-N 1 2 342.374 2.307 20 30 EEEDLO Cc1nscc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001010681929 1223848139 /nfs/dbraw/zinc/84/81/39/1223848139.db2.gz GNOXAKPSSOVCMG-INIZCTEOSA-N 1 2 325.437 2.307 20 30 EEEDLO Cc1nscc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001010681929 1223848140 /nfs/dbraw/zinc/84/81/40/1223848140.db2.gz GNOXAKPSSOVCMG-INIZCTEOSA-N 1 2 325.437 2.307 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001014473351 1226658910 /nfs/dbraw/zinc/65/89/10/1226658910.db2.gz ZHLNRCGBPVETLW-XQQFMLRXSA-N 1 2 333.259 2.477 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC001014473351 1226658912 /nfs/dbraw/zinc/65/89/12/1226658912.db2.gz ZHLNRCGBPVETLW-XQQFMLRXSA-N 1 2 333.259 2.477 20 30 EEEDLO CC(C)c1nsc(C[N@H+](C)C[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001017070800 1227090824 /nfs/dbraw/zinc/09/08/24/1227090824.db2.gz ILDCXQFKEDHVOQ-UONOGXRCSA-N 1 2 349.504 2.492 20 30 EEEDLO CC(C)c1nsc(C[N@@H+](C)C[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001017070800 1227090827 /nfs/dbraw/zinc/09/08/27/1227090827.db2.gz ILDCXQFKEDHVOQ-UONOGXRCSA-N 1 2 349.504 2.492 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@H](C[N@@H+](C)Cc3ncnn3C)C2)CC1 ZINC001017198641 1227220745 /nfs/dbraw/zinc/22/07/45/1227220745.db2.gz WGZWMHLZIXRIGT-MRXNPFEDSA-N 1 2 345.491 2.232 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@H](C[N@H+](C)Cc3ncnn3C)C2)CC1 ZINC001017198641 1227220750 /nfs/dbraw/zinc/22/07/50/1227220750.db2.gz WGZWMHLZIXRIGT-MRXNPFEDSA-N 1 2 345.491 2.232 20 30 EEEDLO Cc1ncc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(C#N)c[nH]2)s1 ZINC001017452977 1227433113 /nfs/dbraw/zinc/43/31/13/1227433113.db2.gz YKEMDMDJEJLGHV-OKILXGFUSA-N 1 2 341.440 2.140 20 30 EEEDLO Cc1ncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(C#N)c[nH]2)s1 ZINC001017452977 1227433116 /nfs/dbraw/zinc/43/31/16/1227433116.db2.gz YKEMDMDJEJLGHV-OKILXGFUSA-N 1 2 341.440 2.140 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC001017728203 1227681618 /nfs/dbraw/zinc/68/16/18/1227681618.db2.gz GQYWMAGASWIURH-HPNQWNLUSA-N 1 2 336.435 2.035 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC001017728203 1227681629 /nfs/dbraw/zinc/68/16/29/1227681629.db2.gz GQYWMAGASWIURH-HPNQWNLUSA-N 1 2 336.435 2.035 20 30 EEEDLO C#CCOc1ccc(C(=O)NC[C@H]2CC[N@H+]2CCC(F)(F)F)cc1 ZINC001038778366 1230046670 /nfs/dbraw/zinc/04/66/70/1230046670.db2.gz MMXVUZUZIJAGNI-CQSZACIVSA-N 1 2 340.345 2.455 20 30 EEEDLO C#CCOc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CCC(F)(F)F)cc1 ZINC001038778366 1230046673 /nfs/dbraw/zinc/04/66/73/1230046673.db2.gz MMXVUZUZIJAGNI-CQSZACIVSA-N 1 2 340.345 2.455 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnoc2C2CC2)c1 ZINC001038874386 1230126523 /nfs/dbraw/zinc/12/65/23/1230126523.db2.gz BFVYZCNKSIHFDG-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnoc2C2CC2)c1 ZINC001038874386 1230126524 /nfs/dbraw/zinc/12/65/24/1230126524.db2.gz BFVYZCNKSIHFDG-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(Cl)no2)c1 ZINC001038947128 1230184417 /nfs/dbraw/zinc/18/44/17/1230184417.db2.gz MMHQPJSRKKSALY-ZDUSSCGKSA-N 1 2 330.775 2.204 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(Cl)no2)c1 ZINC001038947128 1230184420 /nfs/dbraw/zinc/18/44/20/1230184420.db2.gz MMHQPJSRKKSALY-ZDUSSCGKSA-N 1 2 330.775 2.204 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ncc3n2CCCC3)cc1 ZINC001039032739 1230250929 /nfs/dbraw/zinc/25/09/29/1230250929.db2.gz MEQFSGKSINJJIV-QGZVFWFLSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ncc3n2CCCC3)cc1 ZINC001039032739 1230250933 /nfs/dbraw/zinc/25/09/33/1230250933.db2.gz MEQFSGKSINJJIV-QGZVFWFLSA-N 1 2 349.438 2.095 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2[nH]cnc2c1 ZINC001039381305 1230566433 /nfs/dbraw/zinc/56/64/33/1230566433.db2.gz DTORFZPGRILWHT-KGLIPLIRSA-N 1 2 345.834 2.389 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2[nH]cnc2c1 ZINC001039381305 1230566435 /nfs/dbraw/zinc/56/64/35/1230566435.db2.gz DTORFZPGRILWHT-KGLIPLIRSA-N 1 2 345.834 2.389 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H](C)C(=O)NC1CC1 ZINC001039895898 1230894929 /nfs/dbraw/zinc/89/49/29/1230894929.db2.gz ABIVSYQKPCMFEO-DFYYWFRZSA-N 1 2 347.503 2.321 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)NC1CC1 ZINC001039895898 1230894932 /nfs/dbraw/zinc/89/49/32/1230894932.db2.gz ABIVSYQKPCMFEO-DFYYWFRZSA-N 1 2 347.503 2.321 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cnon1)C2 ZINC001040368687 1231189611 /nfs/dbraw/zinc/18/96/11/1231189611.db2.gz JKGBZRMZAYBJPK-ROUUACIJSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cnon1)C2 ZINC001040368687 1231189613 /nfs/dbraw/zinc/18/96/13/1231189613.db2.gz JKGBZRMZAYBJPK-ROUUACIJSA-N 1 2 332.448 2.486 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(CC)no3)[C@H]2C1 ZINC001042182823 1231941539 /nfs/dbraw/zinc/94/15/39/1231941539.db2.gz MTAMJKLMFQFTCS-KGLIPLIRSA-N 1 2 332.448 2.267 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(CC)no3)[C@H]2C1 ZINC001042182823 1231941541 /nfs/dbraw/zinc/94/15/41/1231941541.db2.gz MTAMJKLMFQFTCS-KGLIPLIRSA-N 1 2 332.448 2.267 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(C(C)C)nn3)[C@H]2C1 ZINC001042188114 1231945204 /nfs/dbraw/zinc/94/52/04/1231945204.db2.gz PXILRNGSLGBGQE-WBVHZDCISA-N 1 2 345.491 2.494 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(C(C)C)nn3)[C@H]2C1 ZINC001042188114 1231945208 /nfs/dbraw/zinc/94/52/08/1231945208.db2.gz PXILRNGSLGBGQE-WBVHZDCISA-N 1 2 345.491 2.494 20 30 EEEDLO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3[nH]nnc3-c3ccccc3)C[C@@H]21 ZINC001042368383 1232050293 /nfs/dbraw/zinc/05/02/93/1232050293.db2.gz PXYDMSDHMDNMKR-HOCLYGCPSA-N 1 2 337.427 2.194 20 30 EEEDLO C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3[nH]nnc3-c3ccccc3)C[C@@H]21 ZINC001042368383 1232050295 /nfs/dbraw/zinc/05/02/95/1232050295.db2.gz PXYDMSDHMDNMKR-HOCLYGCPSA-N 1 2 337.427 2.194 20 30 EEEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001042589517 1232113772 /nfs/dbraw/zinc/11/37/72/1232113772.db2.gz IFBIVIMLTLKBQB-UHFFFAOYSA-N 1 2 334.423 2.331 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001042599819 1232117097 /nfs/dbraw/zinc/11/70/97/1232117097.db2.gz JJQWPBVHDRPDFJ-UKRRQHHQSA-N 1 2 325.416 2.027 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001043557176 1232487295 /nfs/dbraw/zinc/48/72/95/1232487295.db2.gz ZOVYTVBWWAEHLI-VUNQQRPYSA-N 1 2 344.459 2.415 20 30 EEEDLO Cc1nocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001095952234 1232540136 /nfs/dbraw/zinc/54/01/36/1232540136.db2.gz VTEHYNNDSRQMEI-RLCCDNCMSA-N 1 2 342.424 2.452 20 30 EEEDLO Cc1nocc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001095952234 1232540138 /nfs/dbraw/zinc/54/01/38/1232540138.db2.gz VTEHYNNDSRQMEI-RLCCDNCMSA-N 1 2 342.424 2.452 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(F)F)n[nH]1)C2 ZINC001095993678 1233187691 /nfs/dbraw/zinc/18/76/91/1233187691.db2.gz NXDJEFNRYNTASL-PTRXPTGYSA-N 1 2 330.766 2.435 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(F)F)n[nH]1)C2 ZINC001095993678 1233187696 /nfs/dbraw/zinc/18/76/96/1233187696.db2.gz NXDJEFNRYNTASL-PTRXPTGYSA-N 1 2 330.766 2.435 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncnn1CC ZINC001045840786 1234055944 /nfs/dbraw/zinc/05/59/44/1234055944.db2.gz PFPAXAPSFCCBCY-JTDSTZFVSA-N 1 2 345.491 2.466 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncnn1CC ZINC001045840786 1234055947 /nfs/dbraw/zinc/05/59/47/1234055947.db2.gz PFPAXAPSFCCBCY-JTDSTZFVSA-N 1 2 345.491 2.466 20 30 EEEDLO Cn1cccc1C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046150283 1234492412 /nfs/dbraw/zinc/49/24/12/1234492412.db2.gz RRGUNWJQYOIJSK-IBGZPJMESA-N 1 2 340.402 2.430 20 30 EEEDLO Cn1cccc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046150283 1234492414 /nfs/dbraw/zinc/49/24/14/1234492414.db2.gz RRGUNWJQYOIJSK-IBGZPJMESA-N 1 2 340.402 2.430 20 30 EEEDLO C[C@]1(NC(=O)c2ncccc2O)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046260410 1234604814 /nfs/dbraw/zinc/60/48/14/1234604814.db2.gz AWOVOUQUPOGCHL-FQEVSTJZSA-N 1 2 335.407 2.033 20 30 EEEDLO C[C@]1(NC(=O)c2ncccc2O)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046260410 1234604816 /nfs/dbraw/zinc/60/48/16/1234604816.db2.gz AWOVOUQUPOGCHL-FQEVSTJZSA-N 1 2 335.407 2.033 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001046273578 1234618408 /nfs/dbraw/zinc/61/84/08/1234618408.db2.gz CRZBOFXFZJSRKN-OUJBWJOFSA-N 1 2 337.208 2.377 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001046273578 1234618410 /nfs/dbraw/zinc/61/84/10/1234618410.db2.gz CRZBOFXFZJSRKN-OUJBWJOFSA-N 1 2 337.208 2.377 20 30 EEEDLO C[C@@]1(NC(=O)c2cc[nH]c2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046335314 1234678639 /nfs/dbraw/zinc/67/86/39/1234678639.db2.gz IYMDJGBGLODHSE-GOSISDBHSA-N 1 2 326.375 2.420 20 30 EEEDLO C[C@@]1(NC(=O)c2cc[nH]c2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046335314 1234678640 /nfs/dbraw/zinc/67/86/40/1234678640.db2.gz IYMDJGBGLODHSE-GOSISDBHSA-N 1 2 326.375 2.420 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@@H+](Cc2nocc2C)C1 ZINC001046375037 1234724215 /nfs/dbraw/zinc/72/42/15/1234724215.db2.gz SWFPHMRBEGWWEJ-GOSISDBHSA-N 1 2 328.416 2.365 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@H+](Cc2nocc2C)C1 ZINC001046375037 1234724218 /nfs/dbraw/zinc/72/42/18/1234724218.db2.gz SWFPHMRBEGWWEJ-GOSISDBHSA-N 1 2 328.416 2.365 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001046375437 1234725757 /nfs/dbraw/zinc/72/57/57/1234725757.db2.gz ZBNHWIDBTIZTQZ-IBGZPJMESA-N 1 2 341.459 2.285 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001046375437 1234725762 /nfs/dbraw/zinc/72/57/62/1234725762.db2.gz ZBNHWIDBTIZTQZ-IBGZPJMESA-N 1 2 341.459 2.285 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)c2cc(F)c[nH]2)C1 ZINC001046499126 1234873858 /nfs/dbraw/zinc/87/38/58/1234873858.db2.gz OVEVIPAKEWTYCX-ZDUSSCGKSA-N 1 2 330.201 2.257 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(F)c[nH]2)C1 ZINC001046499126 1234873861 /nfs/dbraw/zinc/87/38/61/1234873861.db2.gz OVEVIPAKEWTYCX-ZDUSSCGKSA-N 1 2 330.201 2.257 20 30 EEEDLO C=CCOCC(=O)N(C)C1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001096101880 1234883565 /nfs/dbraw/zinc/88/35/65/1234883565.db2.gz QVACFJTXMPXTTL-UHFFFAOYSA-N 1 2 344.459 2.292 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccn(CC)n3)C2)cc1 ZINC001046533171 1234914996 /nfs/dbraw/zinc/91/49/96/1234914996.db2.gz ICOOEPPSSJUEFG-FQEVSTJZSA-N 1 2 336.439 2.279 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccn(CC)n3)C2)cc1 ZINC001046533171 1234915001 /nfs/dbraw/zinc/91/50/01/1234915001.db2.gz ICOOEPPSSJUEFG-FQEVSTJZSA-N 1 2 336.439 2.279 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2csc(CC)n2)C1 ZINC001046633845 1235016178 /nfs/dbraw/zinc/01/61/78/1235016178.db2.gz AQCFUCYIDCDEDL-VKJFTORMSA-N 1 2 349.500 2.377 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2csc(CC)n2)C1 ZINC001046633845 1235016181 /nfs/dbraw/zinc/01/61/81/1235016181.db2.gz AQCFUCYIDCDEDL-VKJFTORMSA-N 1 2 349.500 2.377 20 30 EEEDLO C#CCOc1ccc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccon3)C2)cc1 ZINC001046680084 1235068284 /nfs/dbraw/zinc/06/82/84/1235068284.db2.gz WZVZKTGZSAQJRX-LJQANCHMSA-N 1 2 339.395 2.081 20 30 EEEDLO C#CCOc1ccc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccon3)C2)cc1 ZINC001046680084 1235068286 /nfs/dbraw/zinc/06/82/86/1235068286.db2.gz WZVZKTGZSAQJRX-LJQANCHMSA-N 1 2 339.395 2.081 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001046844451 1235242227 /nfs/dbraw/zinc/24/22/27/1235242227.db2.gz AXLNZDJFCYRPQB-YOEHRIQHSA-N 1 2 338.810 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001046844451 1235242229 /nfs/dbraw/zinc/24/22/29/1235242229.db2.gz AXLNZDJFCYRPQB-YOEHRIQHSA-N 1 2 338.810 2.462 20 30 EEEDLO C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC001047240320 1235725881 /nfs/dbraw/zinc/72/58/81/1235725881.db2.gz AQSZHAVVSVVQHB-ZIAGYGMSSA-N 1 2 334.357 2.471 20 30 EEEDLO C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](F)C(F)(F)F)C2)CC1 ZINC001047240320 1235725890 /nfs/dbraw/zinc/72/58/90/1235725890.db2.gz AQSZHAVVSVVQHB-ZIAGYGMSSA-N 1 2 334.357 2.471 20 30 EEEDLO CC[C@H](C)CCC(=O)NCC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC001096286863 1237110855 /nfs/dbraw/zinc/11/08/55/1237110855.db2.gz LFMDFWBADBUVOT-INIZCTEOSA-N 1 2 343.475 2.018 20 30 EEEDLO NC(=NOCc1ccsc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902227326 1237247974 /nfs/dbraw/zinc/24/79/74/1237247974.db2.gz YQGKCFCRXMBREE-UHFFFAOYSA-N 1 2 331.441 2.417 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001056300493 1239157130 /nfs/dbraw/zinc/15/71/30/1239157130.db2.gz MGJVRVXCLRDYJK-BRWVUGGUSA-N 1 2 344.459 2.392 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056527192 1239430742 /nfs/dbraw/zinc/43/07/42/1239430742.db2.gz ODAGKZDFRKLHOX-LSDHHAIUSA-N 1 2 344.459 2.146 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CC(CNc2cccc(F)c2C#N)C1 ZINC001067860186 1249791065 /nfs/dbraw/zinc/79/10/65/1249791065.db2.gz QHPMQCDHWBGXNF-UHFFFAOYSA-N 1 2 341.390 2.278 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cc3n(n2)CCCC3)CC1 ZINC001000812744 1240977370 /nfs/dbraw/zinc/97/73/70/1240977370.db2.gz GIKNZAWYTOADQY-UHFFFAOYSA-N 1 2 334.851 2.334 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cc3n(n2)CCCC3)CC1 ZINC001000812744 1240977379 /nfs/dbraw/zinc/97/73/79/1240977379.db2.gz GIKNZAWYTOADQY-UHFFFAOYSA-N 1 2 334.851 2.334 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2nn(C)c3c2CCCC3)CC1 ZINC001001178492 1241777526 /nfs/dbraw/zinc/77/75/26/1241777526.db2.gz BXNVBTPPCMVIHS-UHFFFAOYSA-N 1 2 348.878 2.413 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2nn(C)c3c2CCCC3)CC1 ZINC001001178492 1241777530 /nfs/dbraw/zinc/77/75/30/1241777530.db2.gz BXNVBTPPCMVIHS-UHFFFAOYSA-N 1 2 348.878 2.413 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@H+](Cc2nocc2C)CC1 ZINC001001255602 1241920375 /nfs/dbraw/zinc/92/03/75/1241920375.db2.gz BRQZUWUUFKXTPX-WMZOPIPTSA-N 1 2 345.443 2.213 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@@H+](Cc2nocc2C)CC1 ZINC001001255602 1241920394 /nfs/dbraw/zinc/92/03/94/1241920394.db2.gz BRQZUWUUFKXTPX-WMZOPIPTSA-N 1 2 345.443 2.213 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(COC)on1 ZINC001049772489 1242146888 /nfs/dbraw/zinc/14/68/88/1242146888.db2.gz IHGAULBBQMOJKM-GJZGRUSLSA-N 1 2 339.823 2.252 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(COC)on1 ZINC001049772489 1242146893 /nfs/dbraw/zinc/14/68/93/1242146893.db2.gz IHGAULBBQMOJKM-GJZGRUSLSA-N 1 2 339.823 2.252 20 30 EEEDLO CN(C(=O)Cn1cc[nH+]c1)C1CCC(Nc2ncccc2C#N)CC1 ZINC001067910641 1249949991 /nfs/dbraw/zinc/94/99/91/1249949991.db2.gz QLAQNCUDEPXPSE-UHFFFAOYSA-N 1 2 338.415 2.031 20 30 EEEDLO Cc1nc(N[C@H]2CCCCCN(C(=O)c3c[nH]c(C#N)c3)C2)cc[nH+]1 ZINC001049867701 1242467493 /nfs/dbraw/zinc/46/74/93/1242467493.db2.gz OHYBJYVDWOFXDU-HNNXBMFYSA-N 1 2 338.415 2.482 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001073467413 1242524861 /nfs/dbraw/zinc/52/48/61/1242524861.db2.gz WLIRMISJAHCRPE-CVEARBPZSA-N 1 2 346.475 2.229 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001096737563 1243206659 /nfs/dbraw/zinc/20/66/59/1243206659.db2.gz KTZQTSIVZXPTMK-CQSZACIVSA-N 1 2 346.479 2.155 20 30 EEEDLO C=CCCC1(C(=O)N2CC[C@H](Nc3nc(N(C)C)nc(C)[nH+]3)C2)CC1 ZINC001096977222 1243515110 /nfs/dbraw/zinc/51/51/10/1243515110.db2.gz IJBAPRXNHKEUTG-AWEZNQCLSA-N 1 2 344.463 2.005 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001096946309 1243524203 /nfs/dbraw/zinc/52/42/03/1243524203.db2.gz OBOGEULPLJBVAY-HIFRSBDPSA-N 1 2 344.459 2.268 20 30 EEEDLO Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001097203305 1243819592 /nfs/dbraw/zinc/81/95/92/1243819592.db2.gz BZYZIGRKZIANBE-BETUJISGSA-N 1 2 341.390 2.123 20 30 EEEDLO C=CCOCC(=O)NC[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001097281451 1243918510 /nfs/dbraw/zinc/91/85/10/1243918510.db2.gz QVSAARYYBKVEBL-INIZCTEOSA-N 1 2 346.475 2.444 20 30 EEEDLO C=CCOCC(=O)N[C@H](C)[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097514886 1244288504 /nfs/dbraw/zinc/28/85/04/1244288504.db2.gz JICMGRGLVRUIOI-WBVHZDCISA-N 1 2 346.475 2.326 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1c(F)cccc1OC ZINC001050930752 1244650655 /nfs/dbraw/zinc/65/06/55/1244650655.db2.gz DEZXODIIUOCJBZ-CQSZACIVSA-N 1 2 336.407 2.231 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(F)cccc1OC ZINC001050930752 1244650667 /nfs/dbraw/zinc/65/06/67/1244650667.db2.gz DEZXODIIUOCJBZ-CQSZACIVSA-N 1 2 336.407 2.231 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC001050957324 1244725152 /nfs/dbraw/zinc/72/51/52/1244725152.db2.gz IUPYRDMVPZPNKA-MRXNPFEDSA-N 1 2 346.475 2.464 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC001050957324 1244725157 /nfs/dbraw/zinc/72/51/57/1244725157.db2.gz IUPYRDMVPZPNKA-MRXNPFEDSA-N 1 2 346.475 2.464 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001051009072 1244839534 /nfs/dbraw/zinc/83/95/34/1244839534.db2.gz DJKJPFGSERNXSE-KRWDZBQOSA-N 1 2 329.444 2.356 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001051009072 1244839545 /nfs/dbraw/zinc/83/95/45/1244839545.db2.gz DJKJPFGSERNXSE-KRWDZBQOSA-N 1 2 329.444 2.356 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc2ccc(C)cn21 ZINC001051021210 1244862313 /nfs/dbraw/zinc/86/23/13/1244862313.db2.gz JIHGOLJGFMSYJK-MRXNPFEDSA-N 1 2 342.443 2.040 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc2ccc(C)cn21 ZINC001051021210 1244862317 /nfs/dbraw/zinc/86/23/17/1244862317.db2.gz JIHGOLJGFMSYJK-MRXNPFEDSA-N 1 2 342.443 2.040 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cn1 ZINC001051055445 1244919837 /nfs/dbraw/zinc/91/98/37/1244919837.db2.gz PFRVBKIYTBJFHE-CYBMUJFWSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cn1 ZINC001051055445 1244919848 /nfs/dbraw/zinc/91/98/48/1244919848.db2.gz PFRVBKIYTBJFHE-CYBMUJFWSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc2ccccc2n1C ZINC001051089056 1244964102 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CIOUAYBRDBFHOI-YTQUADARSA-N 1 2 344.455 2.192 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnoc1-c1ccccc1 ZINC001051187341 1245364748 /nfs/dbraw/zinc/36/47/48/1245364748.db2.gz WCTJWAXVLOKKFR-MRXNPFEDSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnoc1-c1ccccc1 ZINC001051187341 1245364752 /nfs/dbraw/zinc/36/47/52/1245364752.db2.gz WCTJWAXVLOKKFR-MRXNPFEDSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001051191565 1245369093 /nfs/dbraw/zinc/36/90/93/1245369093.db2.gz IWSPWUZKRHILSU-KRWDZBQOSA-N 1 2 340.427 2.083 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001051191565 1245369098 /nfs/dbraw/zinc/36/90/98/1245369098.db2.gz IWSPWUZKRHILSU-KRWDZBQOSA-N 1 2 340.427 2.083 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001051201201 1245381265 /nfs/dbraw/zinc/38/12/65/1245381265.db2.gz AWFVTAKHIOSZCV-OAHLLOKOSA-N 1 2 333.432 2.339 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001051201201 1245381269 /nfs/dbraw/zinc/38/12/69/1245381269.db2.gz AWFVTAKHIOSZCV-OAHLLOKOSA-N 1 2 333.432 2.339 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc2c(C)cccn2c1 ZINC001051209095 1245394119 /nfs/dbraw/zinc/39/41/19/1245394119.db2.gz HUSOQAANOBOQBV-KRWDZBQOSA-N 1 2 327.428 2.254 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc2c(C)cccn2c1 ZINC001051209095 1245394123 /nfs/dbraw/zinc/39/41/23/1245394123.db2.gz HUSOQAANOBOQBV-KRWDZBQOSA-N 1 2 327.428 2.254 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)C3=COCCO3)cccc2C1 ZINC001051278321 1245469379 /nfs/dbraw/zinc/46/93/79/1245469379.db2.gz NPADZGRTVOKLDQ-UHFFFAOYSA-N 1 2 348.830 2.302 20 30 EEEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)C3=COCCO3)cccc2C1 ZINC001051278321 1245469381 /nfs/dbraw/zinc/46/93/81/1245469381.db2.gz NPADZGRTVOKLDQ-UHFFFAOYSA-N 1 2 348.830 2.302 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+]([C@H](C)c3nc(COC)no3)C[C@@]2(C)C1 ZINC001101167387 1245474519 /nfs/dbraw/zinc/47/45/19/1245474519.db2.gz BBXMYKMBKZNWQQ-LBTNJELSSA-N 1 2 348.447 2.024 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@H+]([C@H](C)c3nc(COC)no3)C[C@@]2(C)C1 ZINC001101167387 1245474521 /nfs/dbraw/zinc/47/45/21/1245474521.db2.gz BBXMYKMBKZNWQQ-LBTNJELSSA-N 1 2 348.447 2.024 20 30 EEEDLO C=C(C)[C@H](CC(=O)NCCN(CCC)c1cc[nH+]c(C)n1)OCC ZINC001101195760 1245507570 /nfs/dbraw/zinc/50/75/70/1245507570.db2.gz DUDOGEXEGVVPAS-INIZCTEOSA-N 1 2 334.464 2.489 20 30 EEEDLO C#CCCCC(=O)N1C[C@H]2C[N@@H+]([C@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001101218294 1245532381 /nfs/dbraw/zinc/53/23/81/1245532381.db2.gz YZFORYYXNVYFLH-CLCXKQKWSA-N 1 2 343.475 2.012 20 30 EEEDLO C#CCCCC(=O)N1C[C@H]2C[N@H+]([C@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001101218294 1245532385 /nfs/dbraw/zinc/53/23/85/1245532385.db2.gz YZFORYYXNVYFLH-CLCXKQKWSA-N 1 2 343.475 2.012 20 30 EEEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@@H+](Cc3nc(C)no3)C[C@@]2(C)C1 ZINC001101248487 1245569425 /nfs/dbraw/zinc/56/94/25/1245569425.db2.gz FDWJNIBXVWMKFI-APWZRJJASA-N 1 2 344.459 2.427 20 30 EEEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@H+](Cc3nc(C)no3)C[C@@]2(C)C1 ZINC001101248487 1245569433 /nfs/dbraw/zinc/56/94/33/1245569433.db2.gz FDWJNIBXVWMKFI-APWZRJJASA-N 1 2 344.459 2.427 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001053031487 1245720054 /nfs/dbraw/zinc/72/00/54/1245720054.db2.gz GEEYFKAPVLQHMG-KBPBESRZSA-N 1 2 346.475 2.110 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCC1(C)CC1)c1nccn12 ZINC001101649259 1246079035 /nfs/dbraw/zinc/07/90/35/1246079035.db2.gz JVSGPYRICQXSJN-OAHLLOKOSA-N 1 2 326.444 2.059 20 30 EEEDLO O=C(C#CC1CC1)N1CCOC2(C[NH+]([C@H]3CCc4ccccc43)C2)C1 ZINC001053250531 1246095309 /nfs/dbraw/zinc/09/53/09/1246095309.db2.gz NZARZAQVIHOTIG-IBGZPJMESA-N 1 2 336.435 2.001 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1cccc(CC)c1)CCO2 ZINC001053314876 1246175669 /nfs/dbraw/zinc/17/56/69/1246175669.db2.gz YBNMSAYHMKCMEZ-UHFFFAOYSA-N 1 2 328.456 2.281 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc(C)n([C@H](C)CC)n1)CCO2 ZINC001053321291 1246179772 /nfs/dbraw/zinc/17/97/72/1246179772.db2.gz DJTLEHIBBPBKRI-OAHLLOKOSA-N 1 2 346.475 2.265 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)C3CC3)C2)CC1 ZINC001052006932 1246367635 /nfs/dbraw/zinc/36/76/35/1246367635.db2.gz TWPYTQXSLPOWTP-HOCLYGCPSA-N 1 2 325.884 2.004 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC3(C)C)C2)CC1 ZINC001052016785 1246381263 /nfs/dbraw/zinc/38/12/63/1246381263.db2.gz ZSXCYCGILAOKSR-LSDHHAIUSA-N 1 2 325.884 2.004 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccc(F)c1OCC)CCO2 ZINC001053485409 1246382737 /nfs/dbraw/zinc/38/27/37/1246382737.db2.gz ICXAXEAPECXHGD-UHFFFAOYSA-N 1 2 348.418 2.327 20 30 EEEDLO N#Cc1ccc(NC2CC(CNC(=O)c3cccc4[nH+]ccn43)C2)cn1 ZINC001052027950 1246391244 /nfs/dbraw/zinc/39/12/44/1246391244.db2.gz GHCKYGZRFWTTEL-UHFFFAOYSA-N 1 2 346.394 2.221 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnn([C@H](C)CC)c1C)CCO2 ZINC001053501297 1246403997 /nfs/dbraw/zinc/40/39/97/1246403997.db2.gz MLGDQOLBRGDEFP-OAHLLOKOSA-N 1 2 346.475 2.265 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3[nH]c(C)cc3C)C2)CC1 ZINC001052043087 1246412711 /nfs/dbraw/zinc/41/27/11/1246412711.db2.gz OJHOHZBSDFQDII-QGZVFWFLSA-N 1 2 330.476 2.040 20 30 EEEDLO C=C[C@H](C(=O)N1CCOC2(C[NH+](CCCF)C2)C1)c1ccccc1 ZINC001053538457 1246448277 /nfs/dbraw/zinc/44/82/77/1246448277.db2.gz APDQVBCYDGEUMN-KRWDZBQOSA-N 1 2 332.419 2.229 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)C3CC4(CC4)C3)C2)CC1 ZINC001052081535 1246460106 /nfs/dbraw/zinc/46/01/06/1246460106.db2.gz NLMZFNYHZYLLNP-MRXNPFEDSA-N 1 2 337.895 2.148 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C)cc(C)cc3C)C2)CC1 ZINC001052117005 1246501613 /nfs/dbraw/zinc/50/16/13/1246501613.db2.gz DCDBRTXDCYANRV-LJQANCHMSA-N 1 2 339.483 2.077 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nc(C(C)C)oc1C)O2 ZINC001053599040 1246512315 /nfs/dbraw/zinc/51/23/15/1246512315.db2.gz LCFVWLNTWNQVPT-AWEZNQCLSA-N 1 2 333.432 2.256 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc(F)c1OCC)O2 ZINC001053679510 1246634046 /nfs/dbraw/zinc/63/40/46/1246634046.db2.gz FTYGUFWMADQJKN-CQSZACIVSA-N 1 2 348.418 2.374 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnoc1C(C)C)O2 ZINC001053683299 1246641217 /nfs/dbraw/zinc/64/12/17/1246641217.db2.gz QXIPSYMIBVUVLS-AWEZNQCLSA-N 1 2 333.432 2.337 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3c([nH]1)CCCC3)O2 ZINC001053688379 1246652445 /nfs/dbraw/zinc/65/24/45/1246652445.db2.gz QGTXRJNTFRVELW-HNNXBMFYSA-N 1 2 329.444 2.043 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cscc1C(F)F)CO2 ZINC001053803802 1246814011 /nfs/dbraw/zinc/81/40/11/1246814011.db2.gz BXLYUUXXMKSIOO-NSHDSACASA-N 1 2 340.395 2.282 20 30 EEEDLO Cc1nsc(N[C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)c1C#N ZINC001057728024 1246969464 /nfs/dbraw/zinc/96/94/64/1246969464.db2.gz FUOLIJZBABETBV-ZDUSSCGKSA-N 1 2 344.444 2.013 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc3c1ccn3C)CO2 ZINC001053957681 1247068272 /nfs/dbraw/zinc/06/82/72/1247068272.db2.gz DYDJSVJYMOGYPM-HNNXBMFYSA-N 1 2 339.439 2.328 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccc(C)c(C)c1)CO2 ZINC001054000907 1247132706 /nfs/dbraw/zinc/13/27/06/1247132706.db2.gz MXENNAFROBPEKP-GOSISDBHSA-N 1 2 328.456 2.382 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccc3ccccc3c1)CO2 ZINC001054003687 1247136682 /nfs/dbraw/zinc/13/66/82/1247136682.db2.gz YGEKAFHAFQRJBA-HXUWFJFHSA-N 1 2 348.446 2.365 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccc3c(c1)CCC3)CO2 ZINC001054005379 1247140075 /nfs/dbraw/zinc/14/00/75/1247140075.db2.gz IZXWGJHVKMOFBL-IBGZPJMESA-N 1 2 340.467 2.253 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001097919797 1247145555 /nfs/dbraw/zinc/14/55/55/1247145555.db2.gz OCFLZFVHQRKNRF-STQMWFEESA-N 1 2 332.448 2.172 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCc2cccnc21 ZINC001054050569 1247238188 /nfs/dbraw/zinc/23/81/88/1247238188.db2.gz GPDWFCFIKMWUQT-PMACEKPBSA-N 1 2 345.446 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1256924822 /nfs/dbraw/zinc/92/48/22/1256924822.db2.gz RHKQEIIRWXMVEX-WBVHZDCISA-N 1 2 345.443 2.045 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CC(F)(F)C3)C[C@H]21 ZINC001074380678 1256958676 /nfs/dbraw/zinc/95/86/76/1256958676.db2.gz RUBLFOZRVWIBNH-ZIAGYGMSSA-N 1 2 328.403 2.300 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CC(F)(F)C3)C[C@H]21 ZINC001074380678 1256958680 /nfs/dbraw/zinc/95/86/80/1256958680.db2.gz RUBLFOZRVWIBNH-ZIAGYGMSSA-N 1 2 328.403 2.300 20 30 EEEDLO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(Cl)no3)C[C@@H]21 ZINC001074390967 1256970962 /nfs/dbraw/zinc/97/09/62/1256970962.db2.gz VUURELMKJWXSEW-STQMWFEESA-N 1 2 339.823 2.210 20 30 EEEDLO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(Cl)no3)C[C@@H]21 ZINC001074390967 1256970968 /nfs/dbraw/zinc/97/09/68/1256970968.db2.gz VUURELMKJWXSEW-STQMWFEESA-N 1 2 339.823 2.210 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C)c3C)C[C@H]21 ZINC001074398079 1256981952 /nfs/dbraw/zinc/98/19/52/1256981952.db2.gz 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/nfs/dbraw/zinc/89/52/66/1257895266.db2.gz IIEMNFKSKLWZKQ-OAHLLOKOSA-N 1 2 335.448 2.292 20 30 EEEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cn(C)nn2)C3)CC1 ZINC001099012561 1257934601 /nfs/dbraw/zinc/93/46/01/1257934601.db2.gz HRVSHLOFJZPPBI-LPHOPBHVSA-N 1 2 343.475 2.032 20 30 EEEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cn(C)nn2)C3)CC1 ZINC001099012561 1257934605 /nfs/dbraw/zinc/93/46/05/1257934605.db2.gz HRVSHLOFJZPPBI-LPHOPBHVSA-N 1 2 343.475 2.032 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ncoc2C(C)C)C[C@H]1O ZINC001099857847 1258426297 /nfs/dbraw/zinc/42/62/97/1258426297.db2.gz DBYFLXYTODLNMA-GOEBONIOSA-N 1 2 335.448 2.206 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](Cc2ncoc2C(C)C)C[C@H]1O ZINC001099857847 1258426298 /nfs/dbraw/zinc/42/62/98/1258426298.db2.gz DBYFLXYTODLNMA-GOEBONIOSA-N 1 2 335.448 2.206 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2ccc(C)cc2)[C@@H](O)C1 ZINC001099910981 1258456596 /nfs/dbraw/zinc/45/65/96/1258456596.db2.gz BJZWOUOEFSTZFV-IRXDYDNUSA-N 1 2 336.863 2.232 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2ccc(C)cc2)[C@@H](O)C1 ZINC001099910981 1258456601 /nfs/dbraw/zinc/45/66/01/1258456601.db2.gz BJZWOUOEFSTZFV-IRXDYDNUSA-N 1 2 336.863 2.232 20 30 EEEDLO N#Cc1c(F)cccc1N1CCC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001100823168 1259303048 /nfs/dbraw/zinc/30/30/48/1259303048.db2.gz DYWIZFJBDYDNQM-CYBMUJFWSA-N 1 2 341.390 2.138 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001100989915 1259529896 /nfs/dbraw/zinc/52/98/96/1259529896.db2.gz KGTIIRPDSAGXMY-JKSUJKDBSA-N 1 2 346.475 2.442 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C(C)C)n1 ZINC001105163163 1276789160 /nfs/dbraw/zinc/78/91/60/1276789160.db2.gz BMBCTAHUDXDQEY-OAHLLOKOSA-N 1 2 340.431 2.170 20 30 EEEDLO Cc1nc(N(C)CCCN(C)C(=O)C#CC2CC2)c2c([nH+]1)CCCC2 ZINC001112085338 1276866679 /nfs/dbraw/zinc/86/66/79/1276866679.db2.gz OTFUXJJAISLACS-UHFFFAOYSA-N 1 2 340.471 2.362 20 30 EEEDLO C=C(Br)CNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000105788616 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1309569135 /nfs/dbraw/zinc/56/91/35/1309569135.db2.gz HVVYOUSBPUOCPG-CABCVRRESA-N 1 2 345.491 2.326 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)C[C@@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001120475918 1309569137 /nfs/dbraw/zinc/56/91/37/1309569137.db2.gz HVVYOUSBPUOCPG-CABCVRRESA-N 1 2 345.491 2.326 20 30 EEEDLO C=CCCC1(C(=O)N(C)C[C@H](C)Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001120561764 1309611074 /nfs/dbraw/zinc/61/10/74/1309611074.db2.gz KUEOGMDDJWWCLA-ZDUSSCGKSA-N 1 2 342.447 2.369 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001120775772 1309741532 /nfs/dbraw/zinc/74/15/32/1309741532.db2.gz PRLHGPXXBVJPHN-KMFMINBZSA-N 1 2 332.448 2.415 20 30 EEEDLO N#CCc1nccnc1-c1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001244130712 1309913214 /nfs/dbraw/zinc/91/32/14/1309913214.db2.gz OYAMYEANCQTYRN-UHFFFAOYSA-N 1 2 342.374 2.060 20 30 EEEDLO C=C(C)CN(C)c1nnc(C[NH+]2CCC(CO)CC2)n1CC(=C)C ZINC001122567596 1310334376 /nfs/dbraw/zinc/33/43/76/1310334376.db2.gz QSLUIBUZLSFLJH-UHFFFAOYSA-N 1 2 333.480 2.071 20 30 EEEDLO C#CCOCCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)[C@H]1C ZINC001123068154 1310463948 /nfs/dbraw/zinc/46/39/48/1310463948.db2.gz RJIHWOYJLXDHRL-CVEARBPZSA-N 1 2 344.459 2.350 20 30 EEEDLO C=CCOCC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001123479239 1310583927 /nfs/dbraw/zinc/58/39/27/1310583927.db2.gz PZEFIOKEEDRTPM-ARFHVFGLSA-N 1 2 330.432 2.027 20 30 EEEDLO C=CCOCC(=O)NCCC1=CC[N@H+](Cc2ncc(C3CC3)o2)CC1 ZINC001159576509 1319899083 /nfs/dbraw/zinc/89/90/83/1319899083.db2.gz SKYOXDORQGCLPK-UHFFFAOYSA-N 1 2 345.443 2.393 20 30 EEEDLO C=CCOCC(=O)NCCC1=CC[N@@H+](Cc2ncc(C3CC3)o2)CC1 ZINC001159576509 1319899088 /nfs/dbraw/zinc/89/90/88/1319899088.db2.gz SKYOXDORQGCLPK-UHFFFAOYSA-N 1 2 345.443 2.393 20 30 EEEDLO CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001137640137 1314464764 /nfs/dbraw/zinc/46/47/64/1314464764.db2.gz SWDRLSGGGYXJAO-AWEZNQCLSA-N 1 2 336.233 2.373 20 30 EEEDLO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001137640137 1314464767 /nfs/dbraw/zinc/46/47/67/1314464767.db2.gz SWDRLSGGGYXJAO-AWEZNQCLSA-N 1 2 336.233 2.373 20 30 EEEDLO C=C(C)COc1ccccc1C[NH+]1CCN(CC(=O)NC(C)C)CC1 ZINC001138664571 1314641110 /nfs/dbraw/zinc/64/11/10/1314641110.db2.gz QTZDOPYEZZBHMA-UHFFFAOYSA-N 1 2 345.487 2.284 20 30 EEEDLO CC(C)(C)C#CC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000837369925 1315074348 /nfs/dbraw/zinc/07/43/48/1315074348.db2.gz VRMWILOPOCTNIN-UHFFFAOYSA-N 1 2 344.455 2.063 20 30 EEEDLO C=CCONC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000838709153 1315184920 /nfs/dbraw/zinc/18/49/20/1315184920.db2.gz QOLUENMTCXLCLU-GJZGRUSLSA-N 1 2 339.823 2.129 20 30 EEEDLO C=CCONC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000838709153 1315184922 /nfs/dbraw/zinc/18/49/22/1315184922.db2.gz QOLUENMTCXLCLU-GJZGRUSLSA-N 1 2 339.823 2.129 20 30 EEEDLO C=CCN1CCN(C[N@@H+](C)Cc2cc(OC)c(OC)cc2C)C1=O ZINC000839952523 1315262738 /nfs/dbraw/zinc/26/27/38/1315262738.db2.gz HLERUFKEXOQUTA-UHFFFAOYSA-N 1 2 333.432 2.325 20 30 EEEDLO C=CCN1CCN(C[N@H+](C)Cc2cc(OC)c(OC)cc2C)C1=O ZINC000839952523 1315262742 /nfs/dbraw/zinc/26/27/42/1315262742.db2.gz HLERUFKEXOQUTA-UHFFFAOYSA-N 1 2 333.432 2.325 20 30 EEEDLO COc1ccc(C(N)=[NH+]O[C@@H](C(=O)NC2CCCC2)C(C)C)cc1 ZINC000842020471 1315651717 /nfs/dbraw/zinc/65/17/17/1315651717.db2.gz BHWAISOVWRFYOX-MRXNPFEDSA-N 1 2 333.432 2.416 20 30 EEEDLO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000843425504 1315913310 /nfs/dbraw/zinc/91/33/10/1315913310.db2.gz PWPSCMUJVSVSGB-CQSZACIVSA-N 1 2 325.206 2.314 20 30 EEEDLO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000843425504 1315913307 /nfs/dbraw/zinc/91/33/07/1315913307.db2.gz PWPSCMUJVSVSGB-CQSZACIVSA-N 1 2 325.206 2.314 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1C[N@H+](Cc2ccn(CC)n2)CCCO1 ZINC001150246239 1316214523 /nfs/dbraw/zinc/21/45/23/1316214523.db2.gz CVBMANHSMSWCDE-PKOBYXMFSA-N 1 2 348.491 2.212 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1C[N@@H+](Cc2ccn(CC)n2)CCCO1 ZINC001150246239 1316214527 /nfs/dbraw/zinc/21/45/27/1316214527.db2.gz CVBMANHSMSWCDE-PKOBYXMFSA-N 1 2 348.491 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)OCCC(C)C)C1 ZINC001150832029 1316389642 /nfs/dbraw/zinc/38/96/42/1316389642.db2.gz PBXCVECYVBAASN-JKSUJKDBSA-N 1 2 346.899 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)OCCC(C)C)C1 ZINC001150832029 1316389646 /nfs/dbraw/zinc/38/96/46/1316389646.db2.gz PBXCVECYVBAASN-JKSUJKDBSA-N 1 2 346.899 2.397 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)nn1C ZINC001152214412 1316645604 /nfs/dbraw/zinc/64/56/04/1316645604.db2.gz DIGRXCINYJOBMA-GFCCVEGCSA-N 1 2 343.269 2.077 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1cc(C)nn1C ZINC001152214412 1316645600 /nfs/dbraw/zinc/64/56/00/1316645600.db2.gz DIGRXCINYJOBMA-GFCCVEGCSA-N 1 2 343.269 2.077 20 30 EEEDLO C=CCOCC(=O)NC[C@@H](C)[N@H+](CC)Cc1noc2c1CCCC2 ZINC001152370796 1316663385 /nfs/dbraw/zinc/66/33/85/1316663385.db2.gz PCMOKIPTCLKVBV-CQSZACIVSA-N 1 2 335.448 2.083 20 30 EEEDLO C=CCOCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1noc2c1CCCC2 ZINC001152370796 1316663389 /nfs/dbraw/zinc/66/33/89/1316663389.db2.gz PCMOKIPTCLKVBV-CQSZACIVSA-N 1 2 335.448 2.083 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1nccs1 ZINC001153441539 1316827801 /nfs/dbraw/zinc/82/78/01/1316827801.db2.gz AOMRKVDFEXGKFF-KFWWJZLASA-N 1 2 337.489 2.451 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccs1 ZINC001153441539 1316827804 /nfs/dbraw/zinc/82/78/04/1316827804.db2.gz AOMRKVDFEXGKFF-KFWWJZLASA-N 1 2 337.489 2.451 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1c(C)ncn1C ZINC001153923036 1316916579 /nfs/dbraw/zinc/91/65/79/1316916579.db2.gz UBNBOIZDOHZRJR-LLVKDONJSA-N 1 2 343.269 2.077 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1c(C)ncn1C ZINC001153923036 1316916581 /nfs/dbraw/zinc/91/65/81/1316916581.db2.gz UBNBOIZDOHZRJR-LLVKDONJSA-N 1 2 343.269 2.077 20 30 EEEDLO COc1ccc2c(c1)CC[NH2+][C@@H]2c1nc(-c2ccc(C#N)cn2)no1 ZINC001249141653 1317011994 /nfs/dbraw/zinc/01/19/94/1317011994.db2.gz HUKRKCCUQVYIMM-INIZCTEOSA-N 1 2 333.351 2.247 20 30 EEEDLO CCN(Cc1ccccc1C#N)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001154344349 1317087426 /nfs/dbraw/zinc/08/74/26/1317087426.db2.gz AWDJHTHHKDRHEM-MRXNPFEDSA-N 1 2 339.443 2.090 20 30 EEEDLO C=CCCCCCC[C@@H](O)C[NH2+][C@H](C(=O)OC)C1CCOCC1 ZINC001253248260 1317807995 /nfs/dbraw/zinc/80/79/95/1317807995.db2.gz SSKFGSSTCVXIEF-SJORKVTESA-N 1 2 327.465 2.432 20 30 EEEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@H]2C(=O)N(c3ccsc3)CCO[C@H]2C1 ZINC001255169095 1318308911 /nfs/dbraw/zinc/30/89/11/1318308911.db2.gz AKKJITPZHYUSRV-IMJJTQAJSA-N 1 2 333.457 2.494 20 30 EEEDLO CC[C@@H](CC#N)[N@H+]1CC[C@H]2C(=O)N(c3ccsc3)CCO[C@H]2C1 ZINC001255169095 1318308921 /nfs/dbraw/zinc/30/89/21/1318308921.db2.gz AKKJITPZHYUSRV-IMJJTQAJSA-N 1 2 333.457 2.494 20 30 EEEDLO C[NH+](C)Cc1nc(CSCCNc2cnc(C#N)cn2)cs1 ZINC001157335730 1318571484 /nfs/dbraw/zinc/57/14/84/1318571484.db2.gz DUWXNJKCBUFWHE-UHFFFAOYSA-N 1 2 334.474 2.212 20 30 EEEDLO C#CCOCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)s1 ZINC001157957521 1318946575 /nfs/dbraw/zinc/94/65/75/1318946575.db2.gz CENFWVFGXCTXAE-MRXNPFEDSA-N 1 2 349.500 2.304 20 30 EEEDLO C#CCOCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)s1 ZINC001157957521 1318946578 /nfs/dbraw/zinc/94/65/78/1318946578.db2.gz CENFWVFGXCTXAE-MRXNPFEDSA-N 1 2 349.500 2.304 20 30 EEEDLO C#CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CC)C1)C(=O)OC ZINC001257117430 1318947618 /nfs/dbraw/zinc/94/76/18/1318947618.db2.gz NMPSLUQILGPPPV-KKUMJFAQSA-N 1 2 338.448 2.319 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)[C@@H](CC)OC)CC1 ZINC001159517705 1319853903 /nfs/dbraw/zinc/85/39/03/1319853903.db2.gz LTGZFDBKOKQPRF-CQSZACIVSA-N 1 2 345.281 2.458 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)OC)CC1 ZINC001159517705 1319853914 /nfs/dbraw/zinc/85/39/14/1319853914.db2.gz LTGZFDBKOKQPRF-CQSZACIVSA-N 1 2 345.281 2.458 20 30 EEEDLO CCc1nnc([C@H](C)[N@H+]2CC=C(CCNC(=O)C#CC3CC3)CC2)o1 ZINC001160084474 1320066827 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2.475 20 30 EEEDLO CC(C)C#CC(=O)NCCC1(C[NH2+]Cc2noc(C(C)(C)C)n2)CC1 ZINC001164461596 1321387074 /nfs/dbraw/zinc/38/70/74/1321387074.db2.gz ZVWPTLRSYBYGDE-UHFFFAOYSA-N 1 2 346.475 2.403 20 30 EEEDLO N#Cc1ccnc(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c1F ZINC001165694026 1321568112 /nfs/dbraw/zinc/56/81/12/1321568112.db2.gz ZQUYOWZKUSXEFK-CQSZACIVSA-N 1 2 341.390 2.352 20 30 EEEDLO C=CCOC[C@H]1C[N@H+](Cc2cccnc2)Cc2nnn(CC3CC3)c21 ZINC001204074326 1322034483 /nfs/dbraw/zinc/03/44/83/1322034483.db2.gz IFFBPYHSAPWINY-QGZVFWFLSA-N 1 2 339.443 2.385 20 30 EEEDLO C=CCOC[C@H]1C[N@@H+](Cc2cccnc2)Cc2nnn(CC3CC3)c21 ZINC001204074326 1322034488 /nfs/dbraw/zinc/03/44/88/1322034488.db2.gz IFFBPYHSAPWINY-QGZVFWFLSA-N 1 2 339.443 2.385 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)F)n2Cc2ccccc2)CC1 ZINC001263154412 1322439264 /nfs/dbraw/zinc/43/92/64/1322439264.db2.gz RUEIWVQBHGIJIK-UHFFFAOYSA-N 1 2 341.434 2.286 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCOC2(CCC2)C1 ZINC001263301637 1322455249 /nfs/dbraw/zinc/45/52/49/1322455249.db2.gz VBSYFOSQXHEBTJ-HNNXBMFYSA-N 1 2 331.464 2.380 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCOC2(CCC2)C1 ZINC001263301637 1322455255 /nfs/dbraw/zinc/45/52/55/1322455255.db2.gz VBSYFOSQXHEBTJ-HNNXBMFYSA-N 1 2 331.464 2.380 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2csc(CCC)n2)C[C@H]1C ZINC001206614520 1323547167 /nfs/dbraw/zinc/54/71/67/1323547167.db2.gz UGMQNONOYOFGOY-UKRRQHHQSA-N 1 2 337.489 2.235 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2csc(CCC)n2)C[C@H]1C ZINC001206614520 1323547169 /nfs/dbraw/zinc/54/71/69/1323547169.db2.gz UGMQNONOYOFGOY-UKRRQHHQSA-N 1 2 337.489 2.235 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2csc(-c3ccoc3)n2)C[C@H]1C ZINC001206659769 1323555517 /nfs/dbraw/zinc/55/55/17/1323555517.db2.gz QKUPHFSLSDSTHN-YWPYICTPSA-N 1 2 344.440 2.499 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2csc(-c3ccoc3)n2)C[C@H]1C ZINC001206659769 1323555519 /nfs/dbraw/zinc/55/55/19/1323555519.db2.gz QKUPHFSLSDSTHN-YWPYICTPSA-N 1 2 344.440 2.499 20 30 EEEDLO C=CCN(CC[N@H+]1[C@H]2CC[C@H](C2)[C@H]1C(=O)OC)C(=O)OC(C)(C)C ZINC001207204796 1323904457 /nfs/dbraw/zinc/90/44/57/1323904457.db2.gz YJQSWKSATFPCPG-ILXRZTDVSA-N 1 2 338.448 2.435 20 30 EEEDLO C=CCN(CC[N@@H+]1[C@H]2CC[C@H](C2)[C@H]1C(=O)OC)C(=O)OC(C)(C)C ZINC001207204796 1323904461 /nfs/dbraw/zinc/90/44/61/1323904461.db2.gz YJQSWKSATFPCPG-ILXRZTDVSA-N 1 2 338.448 2.435 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccn(CC)n3)C[C@H]2C)CCC1 ZINC001207521995 1324004285 /nfs/dbraw/zinc/00/42/85/1324004285.db2.gz QQKBGHTYNBXUSL-NVXWUHKLSA-N 1 2 328.460 2.033 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccn(CC)n3)C[C@H]2C)CCC1 ZINC001207521995 1324004288 /nfs/dbraw/zinc/00/42/88/1324004288.db2.gz QQKBGHTYNBXUSL-NVXWUHKLSA-N 1 2 328.460 2.033 20 30 EEEDLO CC(C)C#CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2nc(C3CC3)no2)C1 ZINC001207992723 1324252104 /nfs/dbraw/zinc/25/21/04/1324252104.db2.gz QMDMXUQSSCWPDG-HIFRSBDPSA-N 1 2 330.432 2.248 20 30 EEEDLO C#CCC1(C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(C(C)C)o3)C2)CCC1 ZINC001208318749 1324421402 /nfs/dbraw/zinc/42/14/02/1324421402.db2.gz HFDLAUXGFPXRKO-OAHLLOKOSA-N 1 2 344.459 2.467 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2cccnc2OC)C1 ZINC001316606612 1324564489 /nfs/dbraw/zinc/56/44/89/1324564489.db2.gz WQWWPVFCAOTPOI-MRXNPFEDSA-N 1 2 329.444 2.479 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2cccnc2OC)C1 ZINC001316606612 1324564494 /nfs/dbraw/zinc/56/44/94/1324564494.db2.gz WQWWPVFCAOTPOI-MRXNPFEDSA-N 1 2 329.444 2.479 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)cc(C)c1 ZINC001316607105 1324618560 /nfs/dbraw/zinc/61/85/60/1324618560.db2.gz RAWVMOYLNOWNCJ-WMZOPIPTSA-N 1 2 343.471 2.140 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)cc(C)c1 ZINC001316607105 1324618566 /nfs/dbraw/zinc/61/85/66/1324618566.db2.gz RAWVMOYLNOWNCJ-WMZOPIPTSA-N 1 2 343.471 2.140 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C)c1Cl ZINC001316609886 1324967842 /nfs/dbraw/zinc/96/78/42/1324967842.db2.gz YRFVWMUEDLRQJS-HNNXBMFYSA-N 1 2 334.847 2.445 20 30 EEEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C)c1Cl ZINC001316609886 1324967845 /nfs/dbraw/zinc/96/78/45/1324967845.db2.gz YRFVWMUEDLRQJS-HNNXBMFYSA-N 1 2 334.847 2.445 20 30 EEEDLO C#Cc1ccc(S(=O)(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc1 ZINC001309490030 1331631686 /nfs/dbraw/zinc/63/16/86/1331631686.db2.gz ZODUBMOGUSUGQG-UHFFFAOYSA-N 1 2 340.448 2.173 20 30 EEEDLO C#Cc1ccc(S(=O)(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)cc1 ZINC001309490030 1331631687 /nfs/dbraw/zinc/63/16/87/1331631687.db2.gz ZODUBMOGUSUGQG-UHFFFAOYSA-N 1 2 340.448 2.173 20 30 EEEDLO COCC#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3cc(F)ccc3o2)C1 ZINC001317985454 1332457538 /nfs/dbraw/zinc/45/75/38/1332457538.db2.gz ZARIMRUYNPMTDW-INIZCTEOSA-N 1 2 344.386 2.416 20 30 EEEDLO COCC#CC[N@H+]1CCC[C@H](NC(=O)c2cc3cc(F)ccc3o2)C1 ZINC001317985454 1332457540 /nfs/dbraw/zinc/45/75/40/1332457540.db2.gz ZARIMRUYNPMTDW-INIZCTEOSA-N 1 2 344.386 2.416 20 30 EEEDLO C[C@H](CNC(=O)c1ccc2[nH]nnc2c1)[N@H+](C)Cc1cccc(C#N)c1 ZINC001329612802 1334684300 /nfs/dbraw/zinc/68/43/00/1334684300.db2.gz HMMXROOVPLASTH-CYBMUJFWSA-N 1 2 348.410 2.080 20 30 EEEDLO C[C@H](CNC(=O)c1ccc2[nH]nnc2c1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001329612802 1334684303 /nfs/dbraw/zinc/68/43/03/1334684303.db2.gz HMMXROOVPLASTH-CYBMUJFWSA-N 1 2 348.410 2.080 20 30 EEEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)[C@@H](C#N)C(=O)NCc1ccc(F)cc1F ZINC001344570074 1337400807 /nfs/dbraw/zinc/40/08/07/1337400807.db2.gz MHNCPQMSUHAKMH-GDBMZVCRSA-N 1 2 349.381 2.163 20 30 EEEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)[C@@H](C#N)C(=O)NCc1ccc(F)cc1F ZINC001344570074 1337400811 /nfs/dbraw/zinc/40/08/11/1337400811.db2.gz MHNCPQMSUHAKMH-GDBMZVCRSA-N 1 2 349.381 2.163 20 30 EEEDLO C=CCCC(=O)N1CCCO[C@H](C[NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001200084797 1337997012 /nfs/dbraw/zinc/99/70/12/1337997012.db2.gz ZWFOSPTVZWMGAG-OAHLLOKOSA-N 1 2 348.447 2.010 20 30 EEEDLO C=CC[C@H]1CCCN(c2nnc(C[N@@H+]3CCC[C@@H](O)C3)n2CC)C1 ZINC001356502390 1338827611 /nfs/dbraw/zinc/82/76/11/1338827611.db2.gz SCRWWACFRJREHE-JKSUJKDBSA-N 1 2 333.480 2.047 20 30 EEEDLO C=CC[C@H]1CCCN(c2nnc(C[N@H+]3CCC[C@@H](O)C3)n2CC)C1 ZINC001356502390 1338827616 /nfs/dbraw/zinc/82/76/16/1338827616.db2.gz SCRWWACFRJREHE-JKSUJKDBSA-N 1 2 333.480 2.047 20 30 EEEDLO Cn1cc[nH+]c1C[C@H](NC(=O)c1ccc(C#N)n1C)c1ccccc1 ZINC001618630717 1352351792 /nfs/dbraw/zinc/35/17/92/1352351792.db2.gz IUDZTNGBNFTITI-INIZCTEOSA-N 1 2 333.395 2.344 20 30 EEEDLO N#Cc1ccc(CCNC(=O)c2cc(-n3cc[nH+]c3)ccc2O)cc1 ZINC001640400937 1352709522 /nfs/dbraw/zinc/70/95/22/1352709522.db2.gz NAAZSPXFEFCCER-UHFFFAOYSA-N 1 2 332.363 2.422 20 30 EEEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)nc1 ZINC001647193206 1353182501 /nfs/dbraw/zinc/18/25/01/1353182501.db2.gz CPCWAQCBWPPTJI-SFHVURJKSA-N 1 2 335.411 2.019 20 30 EEEDLO N#Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)nc1 ZINC001647193206 1353182506 /nfs/dbraw/zinc/18/25/06/1353182506.db2.gz CPCWAQCBWPPTJI-SFHVURJKSA-N 1 2 335.411 2.019 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC001660966065 1354567190 /nfs/dbraw/zinc/56/71/90/1354567190.db2.gz PCXSSZHTJDVVAH-YOEHRIQHSA-N 1 2 347.434 2.160 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC001660966065 1354567194 /nfs/dbraw/zinc/56/71/94/1354567194.db2.gz PCXSSZHTJDVVAH-YOEHRIQHSA-N 1 2 347.434 2.160 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@H]1C[NH2+][C@H](C)c1nc(COC)no1 ZINC001674366631 1356824831 /nfs/dbraw/zinc/82/48/31/1356824831.db2.gz HHHVOZHCPRFTDC-KGLIPLIRSA-N 1 2 336.436 2.214 20 30 EEEDLO Cc1ccc(C[N@@H+]2CCO[C@@](C)(CNC(=O)[C@H](C)C#N)C2)cc1F ZINC001107821218 1367585875 /nfs/dbraw/zinc/58/58/75/1367585875.db2.gz LCXNWRVXOWHTHZ-KDOFPFPSSA-N 1 2 333.407 2.001 20 30 EEEDLO Cc1ccc(C[N@H+]2CCO[C@@](C)(CNC(=O)[C@H](C)C#N)C2)cc1F ZINC001107821218 1367585879 /nfs/dbraw/zinc/58/58/79/1367585879.db2.gz LCXNWRVXOWHTHZ-KDOFPFPSSA-N 1 2 333.407 2.001 20 30 EEEDLO CC#CCCCC(=O)NCC[NH2+]Cc1nc(-c2ccccc2)no1 ZINC001132593296 1367760067 /nfs/dbraw/zinc/76/00/67/1367760067.db2.gz ZWDGWGQQGPLTJZ-UHFFFAOYSA-N 1 2 326.400 2.136 20 30 EEEDLO N#CCCNC(=O)C[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000777807356 1369878728 /nfs/dbraw/zinc/87/87/28/1369878728.db2.gz KIDKFPREMIBZIR-OAHLLOKOSA-N 1 2 344.463 2.062 20 30 EEEDLO N#CCCNC(=O)C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000777807356 1369878732 /nfs/dbraw/zinc/87/87/32/1369878732.db2.gz KIDKFPREMIBZIR-OAHLLOKOSA-N 1 2 344.463 2.062 20 30 EEEDLO C#CCC[N@H+]1C[C@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)CC[C@H]1C ZINC001071692242 1370557907 /nfs/dbraw/zinc/55/79/07/1370557907.db2.gz GLJVSBJYCLHRLZ-ZYHUDNBSSA-N 1 2 342.365 2.343 20 30 EEEDLO C#CCC[N@@H+]1C[C@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)CC[C@H]1C ZINC001071692242 1370557909 /nfs/dbraw/zinc/55/79/09/1370557909.db2.gz GLJVSBJYCLHRLZ-ZYHUDNBSSA-N 1 2 342.365 2.343 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc(CC)n2)C1 ZINC001073639755 1370901673 /nfs/dbraw/zinc/90/16/73/1370901673.db2.gz LWGIULDVEQRGTD-HNNXBMFYSA-N 1 2 337.851 2.217 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(CC)n2)C1 ZINC001073639755 1370901677 /nfs/dbraw/zinc/90/16/77/1370901677.db2.gz LWGIULDVEQRGTD-HNNXBMFYSA-N 1 2 337.851 2.217 20 30 EEEDLO CC(C)C#CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2noc(C(C)C)n2)C1 ZINC001104163596 1371145540 /nfs/dbraw/zinc/14/55/40/1371145540.db2.gz LJUVWRHARAQHKX-HZPDHXFCSA-N 1 2 346.475 2.427 20 30 EEEDLO C[C@@H](CC(=O)NCC1(Nc2ccc(C#N)cn2)CCC1)n1cc[nH+]c1 ZINC001111912087 1371304049 /nfs/dbraw/zinc/30/40/49/1371304049.db2.gz UGPZAMTYRJYSTE-AWEZNQCLSA-N 1 2 338.415 2.252 20 30 EEEDLO C=C(C)CC[N@H+]1CCCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OC ZINC000796682574 1371457029 /nfs/dbraw/zinc/45/70/29/1371457029.db2.gz KDTAJJWCGXSQRS-AWEZNQCLSA-N 1 2 326.437 2.437 20 30 EEEDLO C=C(C)CC[N@@H+]1CCCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OC ZINC000796682574 1371457031 /nfs/dbraw/zinc/45/70/31/1371457031.db2.gz KDTAJJWCGXSQRS-AWEZNQCLSA-N 1 2 326.437 2.437 20 30 EEEDLO C[C@@H](CCCNc1ccc(C#N)nc1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001115096445 1371517523 /nfs/dbraw/zinc/51/75/23/1371517523.db2.gz STDYLQSIFJXMPB-GJZGRUSLSA-N 1 2 340.431 2.498 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001121624202 1371908855 /nfs/dbraw/zinc/90/88/55/1371908855.db2.gz WNZDPGXIGVOCLC-IAGOWNOFSA-N 1 2 345.491 2.455 20 30 EEEDLO C=CCc1cccc(C[N@H+]2CC[C@@H](C(=O)OC)C[C@H]2C(=O)OC)c1O ZINC001138628513 1372404897 /nfs/dbraw/zinc/40/48/97/1372404897.db2.gz VVSLANIKFZNOPB-ZBFHGGJFSA-N 1 2 347.411 2.047 20 30 EEEDLO C=CCc1cccc(C[N@@H+]2CC[C@@H](C(=O)OC)C[C@H]2C(=O)OC)c1O ZINC001138628513 1372404898 /nfs/dbraw/zinc/40/48/98/1372404898.db2.gz VVSLANIKFZNOPB-ZBFHGGJFSA-N 1 2 347.411 2.047 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC(C)C ZINC001342724892 1372950706 /nfs/dbraw/zinc/95/07/06/1372950706.db2.gz QEKLVCNMLGXYKG-ULQDDVLXSA-N 1 2 345.491 2.318 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC(C)C ZINC001342724892 1372950710 /nfs/dbraw/zinc/95/07/10/1372950710.db2.gz 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1376263870 /nfs/dbraw/zinc/26/38/70/1376263870.db2.gz FRVZQZWJRUNFDX-UHFFFAOYSA-N 1 2 349.438 2.062 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CCC)C(=O)CC(C)(C)O)C1 ZINC001373097970 1376413868 /nfs/dbraw/zinc/41/38/68/1376413868.db2.gz SSENBQOLXJAFJN-ZDUSSCGKSA-N 1 2 347.297 2.369 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)Cc2cnn(C)c2C)C1 ZINC001373081680 1376395511 /nfs/dbraw/zinc/39/55/11/1376395511.db2.gz CAHDJFSTGSNLSL-MRXNPFEDSA-N 1 2 338.883 2.336 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)Cc2cnn(C)c2C)C1 ZINC001373081680 1376395515 /nfs/dbraw/zinc/39/55/15/1376395515.db2.gz CAHDJFSTGSNLSL-MRXNPFEDSA-N 1 2 338.883 2.336 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(CCC)C(=O)CC(C)(C)O)C1 ZINC001373097970 1376413867 /nfs/dbraw/zinc/41/38/67/1376413867.db2.gz SSENBQOLXJAFJN-ZDUSSCGKSA-N 1 2 347.297 2.369 20 30 EEEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)CC[C@@H]3CCCO3)C2)ccc1F ZINC001373498450 1376535753 /nfs/dbraw/zinc/53/57/53/1376535753.db2.gz QRCTYABAIVGHQB-KRWDZBQOSA-N 1 2 345.418 2.205 20 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EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCCOc2cccnc2)C1 ZINC001755393042 1407400793 /nfs/dbraw/zinc/40/07/93/1407400793.db2.gz ZVZGWUYORQNKQO-AWEZNQCLSA-N 1 2 337.851 2.430 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC(C)C)C2)CCCC1 ZINC001731380948 1405850920 /nfs/dbraw/zinc/85/09/20/1405850920.db2.gz WCZHMQZBIVXJSF-MRXNPFEDSA-N 1 2 335.492 2.086 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC(C)C)C2)CCCC1 ZINC001731380948 1405850929 /nfs/dbraw/zinc/85/09/29/1405850929.db2.gz WCZHMQZBIVXJSF-MRXNPFEDSA-N 1 2 335.492 2.086 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCc2cccs2)C1 ZINC001732090494 1405925615 /nfs/dbraw/zinc/92/56/15/1405925615.db2.gz TUFZGHUBWMTMCY-OAHLLOKOSA-N 1 2 349.500 2.301 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCc2cccs2)C1 ZINC001732090494 1405925629 /nfs/dbraw/zinc/92/56/29/1405925629.db2.gz TUFZGHUBWMTMCY-OAHLLOKOSA-N 1 2 349.500 2.301 20 30 EEEDLO CC(C)C#CC(=O)N1CCC([N@H+](C)Cc2nn(C)cc2Cl)CC1 ZINC001755530278 1407595513 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ZINC001756731680 1409264989 /nfs/dbraw/zinc/26/49/89/1409264989.db2.gz UOMAOCHDMUPDBI-AWEZNQCLSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001757268493 1409604888 /nfs/dbraw/zinc/60/48/88/1409604888.db2.gz JHEVZYJQYMYUOA-BZUAXINKSA-N 1 2 332.448 2.029 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1CC ZINC001757447138 1409720716 /nfs/dbraw/zinc/72/07/16/1409720716.db2.gz DHZHEORLHGVWQL-PNBKFKSVSA-N 1 2 344.459 2.365 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1CC ZINC001757447138 1409720720 /nfs/dbraw/zinc/72/07/20/1409720720.db2.gz DHZHEORLHGVWQL-PNBKFKSVSA-N 1 2 344.459 2.365 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC001124495190 1410334830 /nfs/dbraw/zinc/33/48/30/1410334830.db2.gz NKABZGMOYNKZRP-OLZOCXBDSA-N 1 2 338.452 2.115 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)CC ZINC001110594123 1410824418 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HXUZQQWBTMAXKZ-HUUCEWRRSA-N 1 2 345.491 2.326 20 30 EEEDLO C=CCCC(=O)N[C@H](CNc1ncnc2c1C[N@H+](C)CC2)C(C)(C)C ZINC001125867832 765271071 /nfs/dbraw/zinc/27/10/71/765271071.db2.gz NWUSULPZQURBCO-MRXNPFEDSA-N 1 2 345.491 2.374 20 30 EEEDLO C=CCCC(=O)N[C@H](CNc1ncnc2c1C[N@@H+](C)CC2)C(C)(C)C ZINC001125867832 765271077 /nfs/dbraw/zinc/27/10/77/765271077.db2.gz NWUSULPZQURBCO-MRXNPFEDSA-N 1 2 345.491 2.374 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H](C)N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001104851684 765425336 /nfs/dbraw/zinc/42/53/36/765425336.db2.gz WWDJYDJBZSDPDQ-JSGCOSHPSA-N 1 2 340.431 2.122 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H](C)N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001104851684 765425344 /nfs/dbraw/zinc/42/53/44/765425344.db2.gz WWDJYDJBZSDPDQ-JSGCOSHPSA-N 1 2 340.431 2.122 20 30 EEEDLO C[C@H](CNc1ncc(C#N)cc1Cl)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001104855903 765437819 /nfs/dbraw/zinc/43/78/19/765437819.db2.gz DWRBTEJAHBOPTL-LLVKDONJSA-N 1 2 346.822 2.221 20 30 EEEDLO 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/nfs/dbraw/zinc/81/55/73/774815573.db2.gz HCWNFVZREGBNBW-CYBMUJFWSA-N 1 2 335.473 2.143 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N(CC)c1[nH+]cnc2c1cnn2C ZINC001089740816 774869735 /nfs/dbraw/zinc/86/97/35/774869735.db2.gz GAOVSDGKTBICNM-ACJLOTCBSA-N 1 2 344.463 2.297 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2oncc2C)C[C@H]1C ZINC000947881464 774992248 /nfs/dbraw/zinc/99/22/48/774992248.db2.gz CFZJSAXCTLGPDY-VXGBXAGGSA-N 1 2 342.237 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2oncc2C)C[C@H]1C ZINC000947881464 774992252 /nfs/dbraw/zinc/99/22/52/774992252.db2.gz CFZJSAXCTLGPDY-VXGBXAGGSA-N 1 2 342.237 2.474 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc(N2CCCC2)n1 ZINC001027977157 775532789 /nfs/dbraw/zinc/53/27/89/775532789.db2.gz NJXXWCFLQSOORL-AWEZNQCLSA-N 1 2 349.866 2.024 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccnc(N2CCCC2)n1 ZINC001027977157 775532795 /nfs/dbraw/zinc/53/27/95/775532795.db2.gz NJXXWCFLQSOORL-AWEZNQCLSA-N 1 2 349.866 2.024 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000060455484 790370286 /nfs/dbraw/zinc/37/02/86/790370286.db2.gz LCOONAAYOQWANB-UHFFFAOYSA-N 1 2 338.367 2.037 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cn[nH]c2)cn1 ZINC001027979081 775580246 /nfs/dbraw/zinc/58/02/46/775580246.db2.gz URNATLUEMFJUBL-HNNXBMFYSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cn[nH]c2)cn1 ZINC001027979081 775580255 /nfs/dbraw/zinc/58/02/55/775580255.db2.gz URNATLUEMFJUBL-HNNXBMFYSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(-c2ccccc2)nn1 ZINC001027995989 775811816 /nfs/dbraw/zinc/81/18/16/775811816.db2.gz ZAJPGOYBOHBPBA-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(-c2ccccc2)nn1 ZINC001027995989 775811824 /nfs/dbraw/zinc/81/18/24/775811824.db2.gz ZAJPGOYBOHBPBA-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO Cc1nc(C)c(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)o1 ZINC000980896636 775986552 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Cc1nc(C(=O)N2CCC[N@H+](CC#Cc3ccc(F)cc3)CC2)co1 ZINC000981033615 776372411 /nfs/dbraw/zinc/37/24/11/776372411.db2.gz PAAZMMQVZCAVNH-UHFFFAOYSA-N 1 2 341.386 2.322 20 30 EEEDLO Cc1nc(C(=O)N2CCC[N@@H+](CC#Cc3ccc(F)cc3)CC2)co1 ZINC000981033615 776372422 /nfs/dbraw/zinc/37/24/22/776372422.db2.gz PAAZMMQVZCAVNH-UHFFFAOYSA-N 1 2 341.386 2.322 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC3(F)F)CC2)cc1F ZINC000981113321 776522633 /nfs/dbraw/zinc/52/26/33/776522633.db2.gz NBLUNSRGDJOJGI-AWEZNQCLSA-N 1 2 337.345 2.387 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CC3(F)F)CC2)cc1F ZINC000981113321 776522636 /nfs/dbraw/zinc/52/26/36/776522636.db2.gz NBLUNSRGDJOJGI-AWEZNQCLSA-N 1 2 337.345 2.387 20 30 EEEDLO C[C@@H]1CO[C@H](C(=O)NCC2C[NH+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC001031861033 777657269 /nfs/dbraw/zinc/65/72/69/777657269.db2.gz YEAZMXKSGHHESM-KSSFIOAISA-N 1 2 346.858 2.165 20 30 EEEDLO Cc1nocc1C(=O)NC[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001028113842 777949782 /nfs/dbraw/zinc/94/97/82/777949782.db2.gz UNHULHOMODXDBD-QGZVFWFLSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1nocc1C(=O)NC[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001028113842 777949790 /nfs/dbraw/zinc/94/97/90/777949790.db2.gz UNHULHOMODXDBD-QGZVFWFLSA-N 1 2 341.386 2.368 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2nc(C)c(C)s2)C[C@H]1OC ZINC001212347056 778085337 /nfs/dbraw/zinc/08/53/37/778085337.db2.gz QMPWFYFOKHHGFY-HUUCEWRRSA-N 1 2 337.489 2.432 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2nc(C)c(C)s2)C[C@H]1OC ZINC001212347056 778085343 /nfs/dbraw/zinc/08/53/43/778085343.db2.gz QMPWFYFOKHHGFY-HUUCEWRRSA-N 1 2 337.489 2.432 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(OC)nc3)CC2)cc1 ZINC000981731097 778114936 /nfs/dbraw/zinc/11/49/36/778114936.db2.gz AVGCBVUFKMWXQL-UHFFFAOYSA-N 1 2 349.434 2.420 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(OC)nc3)CC2)cc1 ZINC000981731097 778114937 /nfs/dbraw/zinc/11/49/37/778114937.db2.gz AVGCBVUFKMWXQL-UHFFFAOYSA-N 1 2 349.434 2.420 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2cncn2)c1 ZINC001028128909 778279053 /nfs/dbraw/zinc/27/90/53/778279053.db2.gz KTLQFGGNWCFUHD-MRXNPFEDSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2cncn2)c1 ZINC001028128909 778279060 /nfs/dbraw/zinc/27/90/60/778279060.db2.gz KTLQFGGNWCFUHD-MRXNPFEDSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC[C@@H]3C)CC2)C1 ZINC000981918303 778530072 /nfs/dbraw/zinc/53/00/72/778530072.db2.gz WCTQDFAYZQHTTF-KRWDZBQOSA-N 1 2 347.503 2.278 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[N@H+](CC(=O)N3CCCC[C@@H]3C)CC2)C1 ZINC000981918303 778530076 /nfs/dbraw/zinc/53/00/76/778530076.db2.gz WCTQDFAYZQHTTF-KRWDZBQOSA-N 1 2 347.503 2.278 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cccc3c[nH]nc32)C1 ZINC001031890468 778695120 /nfs/dbraw/zinc/69/51/20/778695120.db2.gz WRLDHOFUZMCDNT-UHFFFAOYSA-N 1 2 345.406 2.296 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000981980798 778752452 /nfs/dbraw/zinc/75/24/52/778752452.db2.gz KTVTUTWOFWTTHC-KDOFPFPSSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000981980798 778752456 /nfs/dbraw/zinc/75/24/56/778752456.db2.gz KTVTUTWOFWTTHC-KDOFPFPSSA-N 1 2 345.418 2.157 20 30 EEEDLO C#Cc1ccc(C(=O)NCC2C[NH+]([C@H](C)c3cnc(C)cn3)C2)cc1 ZINC001031892256 778762354 /nfs/dbraw/zinc/76/23/54/778762354.db2.gz UKVVRYPWMMGNHF-OAHLLOKOSA-N 1 2 334.423 2.189 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccnc(Cl)c2)CC1 ZINC000981992883 778799577 /nfs/dbraw/zinc/79/95/77/778799577.db2.gz NPZSHZJYJOEBFG-CVEARBPZSA-N 1 2 349.862 2.360 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccnc(Cl)c2)CC1 ZINC000981992883 778799583 /nfs/dbraw/zinc/79/95/83/778799583.db2.gz NPZSHZJYJOEBFG-CVEARBPZSA-N 1 2 349.862 2.360 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC3(C2)CCC[N@@H+](Cc2nnc(CC)o2)C3)C1 ZINC000982000865 778830444 /nfs/dbraw/zinc/83/04/44/778830444.db2.gz LQLKKJFZACMGCV-UHFFFAOYSA-N 1 2 344.459 2.413 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC3(C2)CCC[N@H+](Cc2nnc(CC)o2)C3)C1 ZINC000982000865 778830458 /nfs/dbraw/zinc/83/04/58/778830458.db2.gz LQLKKJFZACMGCV-UHFFFAOYSA-N 1 2 344.459 2.413 20 30 EEEDLO C#CCC[N@H+]1CCCC2(CN(C(=O)c3[nH]nnc3-c3ccccc3)C2)C1 ZINC000982161881 779181255 /nfs/dbraw/zinc/18/12/55/779181255.db2.gz BBCRFIYOPRSTDI-UHFFFAOYSA-N 1 2 349.438 2.033 20 30 EEEDLO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3[nH]nnc3-c3ccccc3)C2)C1 ZINC000982161881 779181258 /nfs/dbraw/zinc/18/12/58/779181258.db2.gz BBCRFIYOPRSTDI-UHFFFAOYSA-N 1 2 349.438 2.033 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)c1nccs1 ZINC001028221851 779268228 /nfs/dbraw/zinc/26/82/28/779268228.db2.gz JVHNZUVOMJVQMZ-OAHLLOKOSA-N 1 2 326.425 2.409 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)c1nccs1 ZINC001028221851 779268233 /nfs/dbraw/zinc/26/82/33/779268233.db2.gz JVHNZUVOMJVQMZ-OAHLLOKOSA-N 1 2 326.425 2.409 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(C(=O)N(C)C)c1 ZINC001028269240 779825717 /nfs/dbraw/zinc/82/57/17/779825717.db2.gz IARFXRQDSSMGHS-MRXNPFEDSA-N 1 2 349.862 2.335 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C(=O)N(C)C)c1 ZINC001028269240 779825725 /nfs/dbraw/zinc/82/57/25/779825725.db2.gz IARFXRQDSSMGHS-MRXNPFEDSA-N 1 2 349.862 2.335 20 30 EEEDLO Cc1nsc(N[C@@H](C)CNC(=O)c2cccc3[nH+]ccn32)c1C#N ZINC001098153212 780247240 /nfs/dbraw/zinc/24/72/40/780247240.db2.gz MPTIQMAAXVOPIN-JTQLQIEISA-N 1 2 340.412 2.201 20 30 EEEDLO CCc1nocc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031955899 780630086 /nfs/dbraw/zinc/63/00/86/780630086.db2.gz UWGXJTFDFUWNEQ-UHFFFAOYSA-N 1 2 342.374 2.110 20 30 EEEDLO Cc1c(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)ccn1C ZINC001031957532 780671337 /nfs/dbraw/zinc/67/13/37/780671337.db2.gz XKXPOXBILHBWRE-UHFFFAOYSA-N 1 2 328.441 2.129 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3conc3C3CC3)C2)s1 ZINC001031969080 781002540 /nfs/dbraw/zinc/00/25/40/781002540.db2.gz WSSYFMFVCLCOEL-UHFFFAOYSA-N 1 2 342.424 2.347 20 30 EEEDLO N#Cc1cccc(CN2CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001030530565 790844060 /nfs/dbraw/zinc/84/40/60/790844060.db2.gz WWBQCJLETMZGAP-UHFFFAOYSA-N 1 2 331.379 2.049 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CCC[C@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001098684101 781019278 /nfs/dbraw/zinc/01/92/78/781019278.db2.gz NKQZFLPSCNTMMO-HOCLYGCPSA-N 1 2 332.448 2.193 20 30 EEEDLO C=CCOCC(=O)N1CCC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098688168 781132727 /nfs/dbraw/zinc/13/27/27/781132727.db2.gz ZUQHDNWQUJZHNO-MRXNPFEDSA-N 1 2 332.448 2.032 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)C(F)=C3CCCC3)[C@@H](O)C2)c1 ZINC001083402996 781321554 /nfs/dbraw/zinc/32/15/54/781321554.db2.gz HQVWNRFUNMJFMJ-SJORKVTESA-N 1 2 343.402 2.017 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)C(F)=C3CCCC3)[C@@H](O)C2)c1 ZINC001083402996 781321563 /nfs/dbraw/zinc/32/15/63/781321563.db2.gz HQVWNRFUNMJFMJ-SJORKVTESA-N 1 2 343.402 2.017 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](Nc2cc[nH+]c(C)n2)CC1 ZINC001063402650 790936657 /nfs/dbraw/zinc/93/66/57/790936657.db2.gz NMNZHJQVGITKAB-FPCVCCKLSA-N 1 2 330.432 2.215 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC001131895263 783452061 /nfs/dbraw/zinc/45/20/61/783452061.db2.gz HVYHJLWLLFMKSL-PBHICJAKSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC001131895263 783452065 /nfs/dbraw/zinc/45/20/65/783452065.db2.gz HVYHJLWLLFMKSL-PBHICJAKSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nc3ccccc3o2)C1 ZINC001131943466 783504722 /nfs/dbraw/zinc/50/47/22/783504722.db2.gz PWKWKHHKPWCMRN-CABCVRRESA-N 1 2 343.427 2.500 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nc3ccccc3o2)C1 ZINC001131943466 783504724 /nfs/dbraw/zinc/50/47/24/783504724.db2.gz PWKWKHHKPWCMRN-CABCVRRESA-N 1 2 343.427 2.500 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001033319037 783550111 /nfs/dbraw/zinc/55/01/11/783550111.db2.gz AXRVCFSMZNIVNK-HNNXBMFYSA-N 1 2 345.834 2.371 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001033319037 783550115 /nfs/dbraw/zinc/55/01/15/783550115.db2.gz AXRVCFSMZNIVNK-HNNXBMFYSA-N 1 2 345.834 2.371 20 30 EEEDLO CC[N@H+](Cc1cn(-c2ccn(C)n2)nn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000906258059 783804958 /nfs/dbraw/zinc/80/49/58/783804958.db2.gz DWUXQUHMJBFWKW-AWEZNQCLSA-N 1 2 335.415 2.456 20 30 EEEDLO CC[N@@H+](Cc1cn(-c2ccn(C)n2)nn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000906258059 783804968 /nfs/dbraw/zinc/80/49/68/783804968.db2.gz DWUXQUHMJBFWKW-AWEZNQCLSA-N 1 2 335.415 2.456 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2COc3cc(C)c(C)cc32)C1 ZINC001035456777 784506343 /nfs/dbraw/zinc/50/63/43/784506343.db2.gz BFDHFSKAXFOWMA-AEFFLSMTSA-N 1 2 344.455 2.173 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2COc3cc(C)c(C)cc32)C1 ZINC001035456777 784506348 /nfs/dbraw/zinc/50/63/48/784506348.db2.gz BFDHFSKAXFOWMA-AEFFLSMTSA-N 1 2 344.455 2.173 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc3ccccc3cc2F)C1 ZINC001035442464 784534703 /nfs/dbraw/zinc/53/47/03/784534703.db2.gz LTEGIIIZMWZVAA-KRWDZBQOSA-N 1 2 340.398 2.433 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc3ccccc3cc2F)C1 ZINC001035442464 784534713 /nfs/dbraw/zinc/53/47/13/784534713.db2.gz LTEGIIIZMWZVAA-KRWDZBQOSA-N 1 2 340.398 2.433 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001035517633 784619459 /nfs/dbraw/zinc/61/94/59/784619459.db2.gz XOHJTOBTAYYJLW-LBPRGKRZSA-N 1 2 328.334 2.111 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001035517633 784619466 /nfs/dbraw/zinc/61/94/66/784619466.db2.gz XOHJTOBTAYYJLW-LBPRGKRZSA-N 1 2 328.334 2.111 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C(CC)CC)no2)C1 ZINC001035537489 784641294 /nfs/dbraw/zinc/64/12/94/784641294.db2.gz RDOYSUOTGDCZQR-OAHLLOKOSA-N 1 2 333.432 2.032 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc(C(CC)CC)no2)C1 ZINC001035537489 784641302 /nfs/dbraw/zinc/64/13/02/784641302.db2.gz RDOYSUOTGDCZQR-OAHLLOKOSA-N 1 2 333.432 2.032 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC001035545221 784653841 /nfs/dbraw/zinc/65/38/41/784653841.db2.gz IBMYBZUJLOZEFZ-YOEHRIQHSA-N 1 2 330.428 2.017 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC001035545221 784653850 /nfs/dbraw/zinc/65/38/50/784653850.db2.gz IBMYBZUJLOZEFZ-YOEHRIQHSA-N 1 2 330.428 2.017 20 30 EEEDLO C=CCOc1cccnc1C(=O)NC[C@H]1C[N@H+](CC=C(C)C)CCO1 ZINC001035573416 784709140 /nfs/dbraw/zinc/70/91/40/784709140.db2.gz HYWFBKLLJTWWGU-INIZCTEOSA-N 1 2 345.443 2.043 20 30 EEEDLO C=CCOc1cccnc1C(=O)NC[C@H]1C[N@@H+](CC=C(C)C)CCO1 ZINC001035573416 784709143 /nfs/dbraw/zinc/70/91/43/784709143.db2.gz HYWFBKLLJTWWGU-INIZCTEOSA-N 1 2 345.443 2.043 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cnn3ncccc13)CC2 ZINC001035723996 785021433 /nfs/dbraw/zinc/02/14/33/785021433.db2.gz UJERWALKFUZPGB-UHFFFAOYSA-N 1 2 345.834 2.020 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC2(C[NH+](Cc3ccn(C)n3)C2)CC1 ZINC001035762011 785077653 /nfs/dbraw/zinc/07/76/53/785077653.db2.gz FVVYBOMKTAGQTE-UHFFFAOYSA-N 1 2 330.476 2.447 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC/C=C/CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107148272 786108633 /nfs/dbraw/zinc/10/86/33/786108633.db2.gz FPBYQOODWJZIGJ-DUMMIQTOSA-N 1 2 330.432 2.074 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)oc3C)C[C@H]2O)CC1 ZINC001090548256 786832706 /nfs/dbraw/zinc/83/27/06/786832706.db2.gz VTSNPNGYWZTAHK-SJLPKXTDSA-N 1 2 347.459 2.089 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C)oc3C)C[C@H]2O)CC1 ZINC001090548256 786832715 /nfs/dbraw/zinc/83/27/15/786832715.db2.gz VTSNPNGYWZTAHK-SJLPKXTDSA-N 1 2 347.459 2.089 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)c(C)o3)C[C@H]2O)CC1 ZINC001090548596 786835173 /nfs/dbraw/zinc/83/51/73/786835173.db2.gz ZYITVYJKKUUFGC-DLBZAZTESA-N 1 2 347.459 2.089 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)c(C)o3)C[C@H]2O)CC1 ZINC001090548596 786835180 /nfs/dbraw/zinc/83/51/80/786835180.db2.gz ZYITVYJKKUUFGC-DLBZAZTESA-N 1 2 347.459 2.089 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)c(F)c2F)[C@@H](O)C1 ZINC001090582987 787078378 /nfs/dbraw/zinc/07/83/78/787078378.db2.gz IPIJEXOQBASTME-STQMWFEESA-N 1 2 344.789 2.191 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c(F)c2F)[C@@H](O)C1 ZINC001090582987 787078387 /nfs/dbraw/zinc/07/83/87/787078387.db2.gz IPIJEXOQBASTME-STQMWFEESA-N 1 2 344.789 2.191 20 30 EEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000822451385 787211824 /nfs/dbraw/zinc/21/18/24/787211824.db2.gz LBTCGUZLQXDHFD-RRFJBIMHSA-N 1 2 346.431 2.208 20 30 EEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000822451385 787211830 /nfs/dbraw/zinc/21/18/30/787211830.db2.gz LBTCGUZLQXDHFD-RRFJBIMHSA-N 1 2 346.431 2.208 20 30 EEEDLO C#CCCCCCC(=O)NC/C=C/CNc1[nH+]cnc2c1cnn2C ZINC001107449125 787264196 /nfs/dbraw/zinc/26/41/96/787264196.db2.gz SNWYSGWUIBRYPL-CMDGGOBGSA-N 1 2 340.431 2.031 20 30 EEEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001062244109 787689247 /nfs/dbraw/zinc/68/92/47/787689247.db2.gz XRLPAJQOZQLCFN-QGZVFWFLSA-N 1 2 346.475 2.206 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)C1CC(Nc2[nH+]cnc3c2cnn3C)C1 ZINC001127071026 788340239 /nfs/dbraw/zinc/34/02/39/788340239.db2.gz VFUSQECOTMHPIC-PWGQDJSOSA-N 1 2 342.447 2.367 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(c3cccc(C)c3)CC2)[C@H](O)C1 ZINC001090833117 788471037 /nfs/dbraw/zinc/47/10/37/788471037.db2.gz KWKPMIKISHFZJR-IAGOWNOFSA-N 1 2 348.874 2.331 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(c3cccc(C)c3)CC2)[C@H](O)C1 ZINC001090833117 788471043 /nfs/dbraw/zinc/47/10/43/788471043.db2.gz KWKPMIKISHFZJR-IAGOWNOFSA-N 1 2 348.874 2.331 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@H](O)C1 ZINC001090828665 788484656 /nfs/dbraw/zinc/48/46/56/788484656.db2.gz RJHQEVQTBBGGIM-DLBZAZTESA-N 1 2 334.847 2.482 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@H](O)C1 ZINC001090828665 788484663 /nfs/dbraw/zinc/48/46/63/788484663.db2.gz RJHQEVQTBBGGIM-DLBZAZTESA-N 1 2 334.847 2.482 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)[C@@H](O)C1 ZINC001090835730 788497944 /nfs/dbraw/zinc/49/79/44/788497944.db2.gz IHRRUMFCTFZMPQ-SJORKVTESA-N 1 2 334.847 2.482 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)[C@@H](O)C1 ZINC001090835730 788497954 /nfs/dbraw/zinc/49/79/54/788497954.db2.gz IHRRUMFCTFZMPQ-SJORKVTESA-N 1 2 334.847 2.482 20 30 EEEDLO CC(C)(C)OC(=O)NC1CC2(C1)C[NH+](Cc1cncc(C#N)c1)C2 ZINC001144079542 789218701 /nfs/dbraw/zinc/21/87/01/789218701.db2.gz RGYNGVAJJVSGEJ-UHFFFAOYSA-N 1 2 328.416 2.442 20 30 EEEDLO C[C@]1(CNC(=O)C#CC2CC2)C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC001107930108 789342166 /nfs/dbraw/zinc/34/21/66/789342166.db2.gz FIWHXFYHGPMKHC-FERLCFGISA-N 1 2 338.451 2.320 20 30 EEEDLO C[C@]1(CNC(=O)C#CC2CC2)C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC001107930108 789342171 /nfs/dbraw/zinc/34/21/71/789342171.db2.gz FIWHXFYHGPMKHC-FERLCFGISA-N 1 2 338.451 2.320 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)(C)C ZINC001109770997 805956135 /nfs/dbraw/zinc/95/61/35/805956135.db2.gz JKPMNMVYBCWSNC-PMPSAXMXSA-N 1 2 349.519 2.473 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)(C)C ZINC001109770997 805956142 /nfs/dbraw/zinc/95/61/42/805956142.db2.gz JKPMNMVYBCWSNC-PMPSAXMXSA-N 1 2 349.519 2.473 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H](OCC)C2=CCCC2)C1 ZINC001107943406 789600609 /nfs/dbraw/zinc/60/06/09/789600609.db2.gz ARJDTRACPHHHDR-HKUYNNGSSA-N 1 2 336.476 2.285 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H](OCC)C2=CCCC2)C1 ZINC001107943406 789600613 /nfs/dbraw/zinc/60/06/13/789600613.db2.gz ARJDTRACPHHHDR-HKUYNNGSSA-N 1 2 336.476 2.285 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO[C@@H]1CC1(F)F ZINC001032422516 789673993 /nfs/dbraw/zinc/67/39/93/789673993.db2.gz CHULBCATGLYHLG-RWMBFGLXSA-N 1 2 348.821 2.474 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO[C@@H]1CC1(F)F ZINC001032422516 789674001 /nfs/dbraw/zinc/67/40/01/789674001.db2.gz CHULBCATGLYHLG-RWMBFGLXSA-N 1 2 348.821 2.474 20 30 EEEDLO C#CCCCC(=O)NCC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCC1 ZINC001062862887 789949777 /nfs/dbraw/zinc/94/97/77/789949777.db2.gz FPTDFYMTHWUCCO-UHFFFAOYSA-N 1 2 338.411 2.135 20 30 EEEDLO C=CCOCC(=O)N1CC[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)[C@H]2C1 ZINC001091205618 790104745 /nfs/dbraw/zinc/10/47/45/790104745.db2.gz HBESTTDHXSMJON-IRXDYDNUSA-N 1 2 344.459 2.032 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2nsc3ccccc32)C1 ZINC001107964721 790222803 /nfs/dbraw/zinc/22/28/03/790222803.db2.gz JMDYEVLKCOZWOZ-QGZVFWFLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2nsc3ccccc32)C1 ZINC001107964721 790222806 /nfs/dbraw/zinc/22/28/06/790222806.db2.gz JMDYEVLKCOZWOZ-QGZVFWFLSA-N 1 2 331.441 2.303 20 30 EEEDLO Cc1nc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)cs1 ZINC001032584659 791713914 /nfs/dbraw/zinc/71/39/14/791713914.db2.gz GUBZZQJBPYHQOT-HOTGVXAUSA-N 1 2 338.436 2.422 20 30 EEEDLO Cc1nc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)cs1 ZINC001032584659 791713922 /nfs/dbraw/zinc/71/39/22/791713922.db2.gz GUBZZQJBPYHQOT-HOTGVXAUSA-N 1 2 338.436 2.422 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(CC)o1)C2 ZINC001147138467 791727250 /nfs/dbraw/zinc/72/72/50/791727250.db2.gz BNXITHWYIVTURF-HNNXBMFYSA-N 1 2 347.459 2.253 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(CC)o1)C2 ZINC001147138467 791727257 /nfs/dbraw/zinc/72/72/57/791727257.db2.gz BNXITHWYIVTURF-HNNXBMFYSA-N 1 2 347.459 2.253 20 30 EEEDLO C=CCOc1cccnc1C(=O)NCC[NH2+]Cc1ncc(C(C)C)o1 ZINC001147295801 791772739 /nfs/dbraw/zinc/77/27/39/791772739.db2.gz UHWCWFVCMGMSMK-UHFFFAOYSA-N 1 2 344.415 2.277 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CC[C@@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089142468 792654388 /nfs/dbraw/zinc/65/43/88/792654388.db2.gz YKOVPPATPYDDFZ-CXAGYDPISA-N 1 2 346.475 2.468 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCO[C@@H](CNC(=O)CC3CC3)C2)c(F)c1 ZINC001149037555 792864880 /nfs/dbraw/zinc/86/48/80/792864880.db2.gz BAZFADVMHRHCOI-KRWDZBQOSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCO[C@@H](CNC(=O)CC3CC3)C2)c(F)c1 ZINC001149037555 792864890 /nfs/dbraw/zinc/86/48/90/792864890.db2.gz BAZFADVMHRHCOI-KRWDZBQOSA-N 1 2 345.418 2.205 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC1(NC(=O)CCc2c[nH+]cn2C)CCC1 ZINC001064396999 793031172 /nfs/dbraw/zinc/03/11/72/793031172.db2.gz HSAABDDNCREOPU-SFHVURJKSA-N 1 2 346.475 2.110 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N(C)CCOCCN(C)c1cc[nH+]c(C)n1 ZINC001091902463 793387775 /nfs/dbraw/zinc/38/77/75/793387775.db2.gz WBLOWADIFYOAPW-LSDHHAIUSA-N 1 2 334.464 2.154 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@H]1O ZINC001092164961 793620411 /nfs/dbraw/zinc/62/04/11/793620411.db2.gz RIAREBPGEJOXRS-JKSUJKDBSA-N 1 2 346.475 2.060 20 30 EEEDLO C[C@@H]1C[C@@H](Nc2ccc(C#N)cn2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001064772674 793706213 /nfs/dbraw/zinc/70/62/13/793706213.db2.gz PGEOZEDWGANUAA-HIFRSBDPSA-N 1 2 338.415 2.101 20 30 EEEDLO CC#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(-c4nnc[nH]4)cc3)CCC[C@@H]12 ZINC000992375451 793870876 /nfs/dbraw/zinc/87/08/76/793870876.db2.gz ABFRALZPSSNWRD-YLJYHZDGSA-N 1 2 349.438 2.222 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnoc1C(C)C)c1nccn12 ZINC001092406124 793907677 /nfs/dbraw/zinc/90/76/77/793907677.db2.gz PKXMXFQTBWMCJP-AWEZNQCLSA-N 1 2 341.415 2.066 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3c(c1)CCC3)c1nccn12 ZINC001092410411 793959734 /nfs/dbraw/zinc/95/97/34/793959734.db2.gz LBFXVVPAFLQXSK-GOSISDBHSA-N 1 2 348.450 2.444 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncoc1-c1cccs1 ZINC001032689269 794091302 /nfs/dbraw/zinc/09/13/02/794091302.db2.gz UWZICRYPAXRDML-STQMWFEESA-N 1 2 327.409 2.325 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncoc1-c1cccs1 ZINC001032689269 794091311 /nfs/dbraw/zinc/09/13/11/794091311.db2.gz UWZICRYPAXRDML-STQMWFEESA-N 1 2 327.409 2.325 20 30 EEEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnc(CC(C)(C)C)s2)[C@@H](O)C1 ZINC001083928499 794145109 /nfs/dbraw/zinc/14/51/09/794145109.db2.gz XIHBUMLZXDXWBM-OLZOCXBDSA-N 1 2 337.489 2.083 20 30 EEEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnc(CC(C)(C)C)s2)[C@@H](O)C1 ZINC001083928499 794145113 /nfs/dbraw/zinc/14/51/13/794145113.db2.gz XIHBUMLZXDXWBM-OLZOCXBDSA-N 1 2 337.489 2.083 20 30 EEEDLO COc1nc(NCC2([NH+]3CCCC3)COC2)c(C#N)c(C)c1Cl ZINC001168442891 794276067 /nfs/dbraw/zinc/27/60/67/794276067.db2.gz UAGPLALUPPMRMM-UHFFFAOYSA-N 1 2 336.823 2.200 20 30 EEEDLO CCc1nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)C)C3)cc(C)[nH+]1 ZINC001092964963 794503068 /nfs/dbraw/zinc/50/30/68/794503068.db2.gz QNAATFCBZBZSIV-OAGGEKHMSA-N 1 2 326.444 2.233 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cn(C)nn1 ZINC001099171405 794522816 /nfs/dbraw/zinc/52/28/16/794522816.db2.gz PNXLLKABPRTOER-OAHLLOKOSA-N 1 2 333.480 2.134 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cn(C)nn1 ZINC001099171405 794522818 /nfs/dbraw/zinc/52/28/18/794522818.db2.gz PNXLLKABPRTOER-OAHLLOKOSA-N 1 2 333.480 2.134 20 30 EEEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@H]1CCOC1 ZINC001079477662 794818899 /nfs/dbraw/zinc/81/88/99/794818899.db2.gz NVQKCHQWZHAJEE-UWWQBHOKSA-N 1 2 346.858 2.165 20 30 EEEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@H]1CCOC1 ZINC001079477662 794818921 /nfs/dbraw/zinc/81/89/21/794818921.db2.gz NVQKCHQWZHAJEE-UWWQBHOKSA-N 1 2 346.858 2.165 20 30 EEEDLO C=CCC(C)(C)C(=O)N(CC)C1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079788568 795194579 /nfs/dbraw/zinc/19/45/79/795194579.db2.gz KJNOJMITSRMEGL-AWEZNQCLSA-N 1 2 346.475 2.250 20 30 EEEDLO C=CCC(C)(C)C(=O)N(CC)C1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079788568 795194584 /nfs/dbraw/zinc/19/45/84/795194584.db2.gz KJNOJMITSRMEGL-AWEZNQCLSA-N 1 2 346.475 2.250 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC(N(CC)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079855145 795283944 /nfs/dbraw/zinc/28/39/44/795283944.db2.gz POKBVQFEBJZUPJ-CABCVRRESA-N 1 2 346.475 2.250 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC(N(CC)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079855145 795283946 /nfs/dbraw/zinc/28/39/46/795283946.db2.gz POKBVQFEBJZUPJ-CABCVRRESA-N 1 2 346.475 2.250 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3ncoc3CC)CC2)C1 ZINC001093519459 795305323 /nfs/dbraw/zinc/30/53/23/795305323.db2.gz NPVAHTRKZMFTHJ-UHFFFAOYSA-N 1 2 333.432 2.119 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccc4cc[nH]c4n3)CC2)C1 ZINC001093544536 795358424 /nfs/dbraw/zinc/35/84/24/795358424.db2.gz GFMUVAWTFXAWMR-UHFFFAOYSA-N 1 2 340.427 2.054 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CC[C@H](OC)C3)CC2)C1 ZINC001093549478 795366696 /nfs/dbraw/zinc/36/66/96/795366696.db2.gz XAYCGJWVYZDLIS-WBVHZDCISA-N 1 2 336.476 2.069 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccc(C)c(C)n3)CC2)C1 ZINC001093552186 795372097 /nfs/dbraw/zinc/37/20/97/795372097.db2.gz HGRJUQFNWKOJPN-UHFFFAOYSA-N 1 2 329.444 2.190 20 30 EEEDLO C=C1CCC(C(=O)N2CCC(OC3C[NH+](CCOC)C3)CC2)CC1 ZINC001093567628 795377434 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ZINC001002647824 798382209 /nfs/dbraw/zinc/38/22/09/798382209.db2.gz GXMZBHDMFAZNTC-JTQLQIEISA-N 1 2 344.444 2.002 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H]2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001061135043 798533801 /nfs/dbraw/zinc/53/38/01/798533801.db2.gz CCVSSVNZPUVTCQ-GJZGRUSLSA-N 1 2 338.415 2.067 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3nc4c(o3)CCCC4)[C@H]2C1 ZINC001084906831 798546147 /nfs/dbraw/zinc/54/61/47/798546147.db2.gz IWLDADKVDVVJNW-FMKPAKJESA-N 1 2 342.443 2.136 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc4c(o3)CCCC4)[C@H]2C1 ZINC001084906831 798546151 /nfs/dbraw/zinc/54/61/51/798546151.db2.gz IWLDADKVDVVJNW-FMKPAKJESA-N 1 2 342.443 2.136 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]2OCC[N@H+](CCOC3CCC3)[C@@H]2C1 ZINC001177087460 798742157 /nfs/dbraw/zinc/74/21/57/798742157.db2.gz DJDCPRYITWCEIX-QZTJIDSGSA-N 1 2 336.476 2.214 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]2OCC[N@@H+](CCOC3CCC3)[C@@H]2C1 ZINC001177087460 798742161 /nfs/dbraw/zinc/74/21/61/798742161.db2.gz DJDCPRYITWCEIX-QZTJIDSGSA-N 1 2 336.476 2.214 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCCCC)C[C@H]21 ZINC001177143569 798769878 /nfs/dbraw/zinc/76/98/78/798769878.db2.gz GATJRBXYCPGOCE-MSOLQXFVSA-N 1 2 338.492 2.461 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCCCC)C[C@H]21 ZINC001177143569 798769884 /nfs/dbraw/zinc/76/98/84/798769884.db2.gz GATJRBXYCPGOCE-MSOLQXFVSA-N 1 2 338.492 2.461 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@@H]2OCC[N@H+](CC3=CCCCC3)[C@@H]2C1 ZINC001177162030 798781949 /nfs/dbraw/zinc/78/19/49/798781949.db2.gz HVLQBKMVADKCPG-MOPGFXCFSA-N 1 2 348.487 2.381 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@@H]2OCC[N@@H+](CC3=CCCCC3)[C@@H]2C1 ZINC001177162030 798781950 /nfs/dbraw/zinc/78/19/50/798781950.db2.gz HVLQBKMVADKCPG-MOPGFXCFSA-N 1 2 348.487 2.381 20 30 EEEDLO C=CCCC1(C(=O)N2CC[NH+]([C@@H]3CCN(C(=O)C(C)C)C3)CC2)CC1 ZINC001065685937 799303190 /nfs/dbraw/zinc/30/31/90/799303190.db2.gz JUVFVLSICHAPSS-QGZVFWFLSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C=C(\C)CC)C2)CC1 ZINC001065704946 799353051 /nfs/dbraw/zinc/35/30/51/799353051.db2.gz STGHGAUHGABGLX-WBWKYDSYSA-N 1 2 347.503 2.444 20 30 EEEDLO C=C(C)CCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC3(C)CC3)C2)CC1 ZINC001065706330 799355735 /nfs/dbraw/zinc/35/57/35/799355735.db2.gz JPNBPSSHFHDPCI-KRWDZBQOSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)CC)C2)CC1 ZINC001065689027 799361785 /nfs/dbraw/zinc/36/17/85/799361785.db2.gz TWDBFAKMMLWDDK-DLBZAZTESA-N 1 2 349.519 2.380 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)CO1 ZINC001003208058 799369865 /nfs/dbraw/zinc/36/98/65/799369865.db2.gz KLPLJNAWSIMJFK-CZUORRHYSA-N 1 2 345.418 2.203 20 30 EEEDLO C=C(C)CCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC3(C)C)C2)CC1 ZINC001065700055 799388660 /nfs/dbraw/zinc/38/86/60/799388660.db2.gz QXBZOKHZVUMRER-SJORKVTESA-N 1 2 347.503 2.134 20 30 EEEDLO C#Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3ncccn3)CC2)cc1 ZINC001003412973 799623040 /nfs/dbraw/zinc/62/30/40/799623040.db2.gz UBLWOOLIOROMQU-HNNXBMFYSA-N 1 2 334.423 2.413 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCc1cnn2c1C[N@H+](CCC[C@H](C)O)CC2 ZINC001128481135 800095268 /nfs/dbraw/zinc/09/52/68/800095268.db2.gz KOHATQOSSJUSEL-HNAYVOBHSA-N 1 2 348.491 2.078 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCc1cnn2c1C[N@@H+](CCC[C@H](C)O)CC2 ZINC001128481135 800095274 /nfs/dbraw/zinc/09/52/74/800095274.db2.gz KOHATQOSSJUSEL-HNAYVOBHSA-N 1 2 348.491 2.078 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)CC2CCCC2)[C@@H](O)C1 ZINC001090035416 800102063 /nfs/dbraw/zinc/10/20/63/800102063.db2.gz XXTKJYOQTTXSIX-OALUTQOASA-N 1 2 341.455 2.190 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)CC2CCCC2)[C@@H](O)C1 ZINC001090035416 800102068 /nfs/dbraw/zinc/10/20/68/800102068.db2.gz XXTKJYOQTTXSIX-OALUTQOASA-N 1 2 341.455 2.190 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001066217705 800180911 /nfs/dbraw/zinc/18/09/11/800180911.db2.gz RKXDLQBSVMWYPQ-JKSUJKDBSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001066217705 800180916 /nfs/dbraw/zinc/18/09/16/800180916.db2.gz RKXDLQBSVMWYPQ-JKSUJKDBSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001066217917 800181077 /nfs/dbraw/zinc/18/10/77/800181077.db2.gz VSGGWDUMAYPCIP-JKSUJKDBSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001066217917 800181081 /nfs/dbraw/zinc/18/10/81/800181081.db2.gz VSGGWDUMAYPCIP-JKSUJKDBSA-N 1 2 346.475 2.442 20 30 EEEDLO Cc1nc(N2C[C@@H]3CCCN(C(=O)C#CC4CC4)[C@@H]3C2)c(C)c(C)[nH+]1 ZINC001066235893 800229946 /nfs/dbraw/zinc/22/99/46/800229946.db2.gz RDOBCSVTKVGMKE-ZWKOTPCHSA-N 1 2 338.455 2.242 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2nnn(C(C)C)c2C)CC1 ZINC001003863965 800367885 /nfs/dbraw/zinc/36/78/85/800367885.db2.gz FIZLOAZQRWHFPF-UHFFFAOYSA-N 1 2 325.844 2.114 20 30 EEEDLO CN(C(=O)C[C@H]1CCOC1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032967231 800583171 /nfs/dbraw/zinc/58/31/71/800583171.db2.gz LHLHODWUYSYZGQ-RDTXWAMCSA-N 1 2 345.418 2.157 20 30 EEEDLO CN(C(=O)C[C@H]1CCOC1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032967231 800583174 /nfs/dbraw/zinc/58/31/74/800583174.db2.gz LHLHODWUYSYZGQ-RDTXWAMCSA-N 1 2 345.418 2.157 20 30 EEEDLO C=C1CC(C)(C(=O)NCc2cnn3c2C[N@H+](C[C@H](CC)OC)CC3)C1 ZINC001128488928 800617023 /nfs/dbraw/zinc/61/70/23/800617023.db2.gz JLPCZPDJIPYZTF-INIZCTEOSA-N 1 2 346.475 2.096 20 30 EEEDLO C=C1CC(C)(C(=O)NCc2cnn3c2C[N@@H+](C[C@H](CC)OC)CC3)C1 ZINC001128488928 800617025 /nfs/dbraw/zinc/61/70/25/800617025.db2.gz JLPCZPDJIPYZTF-INIZCTEOSA-N 1 2 346.475 2.096 20 30 EEEDLO C=CCO[C@H](C)C(=O)N(C)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112626230 806863911 /nfs/dbraw/zinc/86/39/11/806863911.db2.gz AVLSAYJGRFQBIU-GDBMZVCRSA-N 1 2 332.448 2.193 20 30 EEEDLO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)c(C)nn1 ZINC001085615736 800904035 /nfs/dbraw/zinc/90/40/35/800904035.db2.gz UTSJCIASOFFATF-IBGZPJMESA-N 1 2 348.450 2.291 20 30 EEEDLO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@H+]2CC#Cc2ccccc2)c(C)nn1 ZINC001085615736 800904040 /nfs/dbraw/zinc/90/40/40/800904040.db2.gz UTSJCIASOFFATF-IBGZPJMESA-N 1 2 348.450 2.291 20 30 EEEDLO COC1CC(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(C#N)c(F)c2)C1 ZINC001085659748 800998352 /nfs/dbraw/zinc/99/83/52/800998352.db2.gz BUQKWCKRGXGFAB-AQFXKWCLSA-N 1 2 345.418 2.155 20 30 EEEDLO COC1CC(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(C#N)c(F)c2)C1 ZINC001085659748 800998356 /nfs/dbraw/zinc/99/83/56/800998356.db2.gz BUQKWCKRGXGFAB-AQFXKWCLSA-N 1 2 345.418 2.155 20 30 EEEDLO C=C1CCC(C(=O)NCC2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001004120316 801017101 /nfs/dbraw/zinc/01/71/01/801017101.db2.gz UYVNAUZLDJRMAR-OAHLLOKOSA-N 1 2 344.459 2.155 20 30 EEEDLO COC(=O)c1c[nH]c2nc[nH+]c(NC(=O)CCc3cccc(C#N)c3)c12 ZINC001182333780 801119832 /nfs/dbraw/zinc/11/98/32/801119832.db2.gz BDGVJRIQZRWTHI-UHFFFAOYSA-N 1 2 349.350 2.187 20 30 EEEDLO CC(C)C#CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nnc(CC(C)C)o2)C1 ZINC001182431731 801167452 /nfs/dbraw/zinc/16/74/52/801167452.db2.gz FXCRCHNZKYUKHV-LSDHHAIUSA-N 1 2 332.448 2.179 20 30 EEEDLO CC(C)c1noc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C#CC(C)(C)C)C2)n1 ZINC001182443213 801181813 /nfs/dbraw/zinc/18/18/13/801181813.db2.gz XJBRGRRWUKSLDS-ZIAGYGMSSA-N 1 2 332.448 2.494 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nc(CC(F)(F)F)no2)C1 ZINC001182947006 801402836 /nfs/dbraw/zinc/40/28/36/801402836.db2.gz KXMWBEZUCLKQGR-LLVKDONJSA-N 1 2 346.353 2.221 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC1(Nc2ncnc3c2C[N@H+](C)CC3)CC1 ZINC001110327552 801494499 /nfs/dbraw/zinc/49/44/99/801494499.db2.gz YYMMLWQWDPRGPU-SFHVURJKSA-N 1 2 343.475 2.128 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC1(Nc2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC001110327552 801494502 /nfs/dbraw/zinc/49/45/02/801494502.db2.gz YYMMLWQWDPRGPU-SFHVURJKSA-N 1 2 343.475 2.128 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ncsc2C(F)(F)F)C1 ZINC001108069302 801685344 /nfs/dbraw/zinc/68/53/44/801685344.db2.gz CCZJFMZJUADZIA-ZDUSSCGKSA-N 1 2 349.378 2.169 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ncsc2C(F)(F)F)C1 ZINC001108069302 801685349 /nfs/dbraw/zinc/68/53/49/801685349.db2.gz CCZJFMZJUADZIA-ZDUSSCGKSA-N 1 2 349.378 2.169 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2[C@@H](C)c2cnc(C)cn2)cn1 ZINC001085932679 801688539 /nfs/dbraw/zinc/68/85/39/801688539.db2.gz GDQCFAKBVLPFOI-MAUKXSAKSA-N 1 2 349.438 2.069 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@@H](C)c2cnc(C)cn2)cn1 ZINC001085932679 801688544 /nfs/dbraw/zinc/68/85/44/801688544.db2.gz GDQCFAKBVLPFOI-MAUKXSAKSA-N 1 2 349.438 2.069 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001108222506 801713139 /nfs/dbraw/zinc/71/31/39/801713139.db2.gz DOINOUUIICRMDK-IBGZPJMESA-N 1 2 329.444 2.274 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001108222506 801713144 /nfs/dbraw/zinc/71/31/44/801713144.db2.gz DOINOUUIICRMDK-IBGZPJMESA-N 1 2 329.444 2.274 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001066347630 801741628 /nfs/dbraw/zinc/74/16/28/801741628.db2.gz DKMJPQWWPTZSMH-DLBZAZTESA-N 1 2 346.475 2.373 20 30 EEEDLO CCc1ncncc1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085977037 801818752 /nfs/dbraw/zinc/81/87/52/801818752.db2.gz MCWNFUSSOZDJOS-SFHVURJKSA-N 1 2 348.450 2.237 20 30 EEEDLO CCc1ncncc1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085977037 801818760 /nfs/dbraw/zinc/81/87/60/801818760.db2.gz MCWNFUSSOZDJOS-SFHVURJKSA-N 1 2 348.450 2.237 20 30 EEEDLO Cc1nc[nH]c1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001086003045 801903150 /nfs/dbraw/zinc/90/31/50/801903150.db2.gz YRVHAONPHUTXBA-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1nc[nH]c1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001086003045 801903155 /nfs/dbraw/zinc/90/31/55/801903155.db2.gz YRVHAONPHUTXBA-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001066361980 801929287 /nfs/dbraw/zinc/92/92/87/801929287.db2.gz VQYBUDHRMXDNBX-OAHLLOKOSA-N 1 2 332.448 2.114 20 30 EEEDLO CCn1ncc(Cl)c1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004436895 802025716 /nfs/dbraw/zinc/02/57/16/802025716.db2.gz HPTLLDFYTMCUAF-OAHLLOKOSA-N 1 2 349.866 2.397 20 30 EEEDLO CCn1ncc(Cl)c1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004436895 802025724 /nfs/dbraw/zinc/02/57/24/802025724.db2.gz HPTLLDFYTMCUAF-OAHLLOKOSA-N 1 2 349.866 2.397 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)co1 ZINC001007187660 802100989 /nfs/dbraw/zinc/10/09/89/802100989.db2.gz JSUNUCHWTYLRGZ-LBPRGKRZSA-N 1 2 330.413 2.311 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)co1 ZINC001007187660 802100995 /nfs/dbraw/zinc/10/09/95/802100995.db2.gz JSUNUCHWTYLRGZ-LBPRGKRZSA-N 1 2 330.413 2.311 20 30 EEEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000786983526 806966415 /nfs/dbraw/zinc/96/64/15/806966415.db2.gz VUUFPWICLYHHRX-HOTGVXAUSA-N 1 2 338.411 2.443 20 30 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EEEDLO C=CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001130392441 811549956 /nfs/dbraw/zinc/54/99/56/811549956.db2.gz MFIFZVPOHLMMRH-ZWNOBZJWSA-N 1 2 348.344 2.292 20 30 EEEDLO C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001130392441 811549966 /nfs/dbraw/zinc/54/99/66/811549966.db2.gz MFIFZVPOHLMMRH-ZWNOBZJWSA-N 1 2 348.344 2.292 20 30 EEEDLO CC[N@H+](C)[C@@H](C(=O)OCCOC1(C#N)CCOCC1)c1ccccc1 ZINC000809086444 812966060 /nfs/dbraw/zinc/96/60/60/812966060.db2.gz NYMKYAXKDNGANN-QGZVFWFLSA-N 1 2 346.427 2.312 20 30 EEEDLO CC[N@@H+](C)[C@@H](C(=O)OCCOC1(C#N)CCOCC1)c1ccccc1 ZINC000809086444 812966064 /nfs/dbraw/zinc/96/60/64/812966064.db2.gz NYMKYAXKDNGANN-QGZVFWFLSA-N 1 2 346.427 2.312 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)COCCCC)C[C@H](C)O2 ZINC001131642901 813065698 /nfs/dbraw/zinc/06/56/98/813065698.db2.gz XUIHYWUGJLFZLP-RDJZCZTQSA-N 1 2 344.883 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)COCCCC)C[C@H](C)O2 ZINC001131642901 813065709 /nfs/dbraw/zinc/06/57/09/813065709.db2.gz XUIHYWUGJLFZLP-RDJZCZTQSA-N 1 2 344.883 2.247 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@H](C)O[C@]2(CC[N@H+](Cc3ccon3)C2)C1 ZINC001131689160 813122984 /nfs/dbraw/zinc/12/29/84/813122984.db2.gz WLQAAYALDRGZSR-KXBFYZLASA-N 1 2 347.459 2.469 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@H](C)O[C@]2(CC[N@@H+](Cc3ccon3)C2)C1 ZINC001131689160 813122989 /nfs/dbraw/zinc/12/29/89/813122989.db2.gz WLQAAYALDRGZSR-KXBFYZLASA-N 1 2 347.459 2.469 20 30 EEEDLO C=C(Cl)CN1CC[C@@H](CNC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001437728161 1090284309 /nfs/dbraw/zinc/28/43/09/1090284309.db2.gz OVKNVKRLFCSGEM-SFHVURJKSA-N 1 2 349.906 2.352 20 30 EEEDLO C=C(Cl)CN1CC[C@@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001437728161 1090284312 /nfs/dbraw/zinc/28/43/12/1090284312.db2.gz OVKNVKRLFCSGEM-SFHVURJKSA-N 1 2 349.906 2.352 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H](CNC(=O)c1ccc(-c2nnc[nH]2)cc1)C1CC1 ZINC001441250671 1094645220 /nfs/dbraw/zinc/64/52/20/1094645220.db2.gz MEPHQLOBZORVGF-HNNXBMFYSA-N 1 2 345.834 2.322 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C)on1 ZINC001447754713 1103238303 /nfs/dbraw/zinc/23/83/03/1103238303.db2.gz BHFANBYBSZLJDY-LBPRGKRZSA-N 1 2 342.237 2.428 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C)on1 ZINC001447754713 1103238315 /nfs/dbraw/zinc/23/83/15/1103238315.db2.gz BHFANBYBSZLJDY-LBPRGKRZSA-N 1 2 342.237 2.428 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001494787489 1104369452 /nfs/dbraw/zinc/36/94/52/1104369452.db2.gz ILKSRRTTWNYKOG-NVXWUHKLSA-N 1 2 335.492 2.086 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001494787489 1104369462 /nfs/dbraw/zinc/36/94/62/1104369462.db2.gz ILKSRRTTWNYKOG-NVXWUHKLSA-N 1 2 335.492 2.086 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC[N@H+](CC(=O)Nc1cccc(Cl)c1)C1CC1 ZINC001493356301 1107977569 /nfs/dbraw/zinc/97/75/69/1107977569.db2.gz GHSTXCSZVKGQDJ-LBPRGKRZSA-N 1 2 348.834 2.019 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](CC(=O)Nc1cccc(Cl)c1)C1CC1 ZINC001493356301 1107977577 /nfs/dbraw/zinc/97/75/77/1107977577.db2.gz GHSTXCSZVKGQDJ-LBPRGKRZSA-N 1 2 348.834 2.019 20 30 EEEDLO Cc1ccncc1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001499000011 1108436919 /nfs/dbraw/zinc/43/69/19/1108436919.db2.gz YTQHEKUOCMOSLC-HNNXBMFYSA-N 1 2 340.452 2.256 20 30 EEEDLO Cc1ccncc1CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001499000011 1108436925 /nfs/dbraw/zinc/43/69/25/1108436925.db2.gz YTQHEKUOCMOSLC-HNNXBMFYSA-N 1 2 340.452 2.256 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(NC(C)=O)CCCC2)[C@@H]1C ZINC001507380921 1115240206 /nfs/dbraw/zinc/24/02/06/1115240206.db2.gz GQBVBZFOWDTINX-DZGCQCFKSA-N 1 2 341.883 2.157 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(NC(C)=O)CCCC2)[C@@H]1C ZINC001507380921 1115240209 /nfs/dbraw/zinc/24/02/09/1115240209.db2.gz GQBVBZFOWDTINX-DZGCQCFKSA-N 1 2 341.883 2.157 20 30 EEEDLO CN(CC[NH+]1CCOCC1)Cc1cc(C#N)ccc1Br ZINC000191782571 529911739 /nfs/dbraw/zinc/91/17/39/529911739.db2.gz DJFQWNDYLUIVPR-UHFFFAOYSA-N 1 2 338.249 2.085 20 30 EEEDLO C[N@H+](CCN1CCOCC1)Cc1cc(C#N)ccc1Br ZINC000191782571 529911740 /nfs/dbraw/zinc/91/17/40/529911740.db2.gz DJFQWNDYLUIVPR-UHFFFAOYSA-N 1 2 338.249 2.085 20 30 EEEDLO C[N@@H+](CCN1CCOCC1)Cc1cc(C#N)ccc1Br ZINC000191782571 529911741 /nfs/dbraw/zinc/91/17/41/529911741.db2.gz DJFQWNDYLUIVPR-UHFFFAOYSA-N 1 2 338.249 2.085 20 30 EEEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCOC3)CC2)c(Br)c1 ZINC000361922185 283161079 /nfs/dbraw/zinc/16/10/79/283161079.db2.gz KOIOPTASZVHBGA-ZDUSSCGKSA-N 1 2 336.233 2.232 20 30 EEEDLO C#CCOc1ccccc1C[N@@H+](CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000179614036 201032211 /nfs/dbraw/zinc/03/22/11/201032211.db2.gz OWIYSVHRWDKVJW-QGZVFWFLSA-N 1 2 335.469 2.488 20 30 EEEDLO C#CCOc1ccccc1C[N@H+](CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000179614036 201032215 /nfs/dbraw/zinc/03/22/15/201032215.db2.gz OWIYSVHRWDKVJW-QGZVFWFLSA-N 1 2 335.469 2.488 20 30 EEEDLO COc1ccc([C@@H](NC(=O)C[NH+]2CCC(C#N)CC2)C2CC2)cc1 ZINC000057878166 201139900 /nfs/dbraw/zinc/13/99/00/201139900.db2.gz RSGHYDPULICFDX-IBGZPJMESA-N 1 2 327.428 2.498 20 30 EEEDLO Cn1cc(C[NH2+]CC(F)(F)CNC(=O)OC(C)(C)C)cc1C#N ZINC000191617719 239212972 /nfs/dbraw/zinc/21/29/72/239212972.db2.gz SXVMUNRJZOWXQO-UHFFFAOYSA-N 1 2 328.363 2.146 20 30 EEEDLO N#Cc1ccc(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000421908221 240050465 /nfs/dbraw/zinc/05/04/65/240050465.db2.gz CKIXNOZPUSCROB-UHFFFAOYSA-N 1 2 341.436 2.382 20 30 EEEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000071821760 203119419 /nfs/dbraw/zinc/11/94/19/203119419.db2.gz CMIODBCBAXDARF-UHFFFAOYSA-N 1 2 341.436 2.457 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1F ZINC000071889263 203139293 /nfs/dbraw/zinc/13/92/93/203139293.db2.gz UIZVKKZTZCMIGZ-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO CCC[N@H+](Cc1cn2ccccc2c1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000073621396 203269794 /nfs/dbraw/zinc/26/97/94/203269794.db2.gz ZHXHSCZPWYXVDX-HNNXBMFYSA-N 1 2 331.441 2.210 20 30 EEEDLO CCC[N@@H+](Cc1cn2ccccc2c1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000073621396 203269797 /nfs/dbraw/zinc/26/97/97/203269797.db2.gz ZHXHSCZPWYXVDX-HNNXBMFYSA-N 1 2 331.441 2.210 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(CO)CC1 ZINC000076991944 203368926 /nfs/dbraw/zinc/36/89/26/203368926.db2.gz ZUAMSMIGBPCZLC-LLVKDONJSA-N 1 2 333.457 2.140 20 30 EEEDLO COc1ccccc1C[NH+]1CCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000459262136 245053227 /nfs/dbraw/zinc/05/32/27/245053227.db2.gz UEVNODBAPZECNP-UHFFFAOYSA-N 1 2 344.459 2.462 20 30 EEEDLO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000495188857 247081731 /nfs/dbraw/zinc/08/17/31/247081731.db2.gz KEJNCZKENYDMLJ-UHFFFAOYSA-N 1 2 346.431 2.009 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cccc(-n3cccn3)c2)n1 ZINC000491786293 533219244 /nfs/dbraw/zinc/21/92/44/533219244.db2.gz WDJQISNDRGPKKR-UHFFFAOYSA-N 1 2 349.438 2.351 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cccc(-n3cccn3)c2)n1 ZINC000491786293 533219246 /nfs/dbraw/zinc/21/92/46/533219246.db2.gz WDJQISNDRGPKKR-UHFFFAOYSA-N 1 2 349.438 2.351 20 30 EEEDLO N#Cc1ccncc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000270348395 256125995 /nfs/dbraw/zinc/12/59/95/256125995.db2.gz GYBWZZUKYQCXOH-UHFFFAOYSA-N 1 2 338.411 2.276 20 30 EEEDLO CC(=O)c1ccc(C#N)c(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000273180200 256273490 /nfs/dbraw/zinc/27/34/90/256273490.db2.gz HAEGUMYLJDGEEO-LJQANCHMSA-N 1 2 328.460 2.445 20 30 EEEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)[C@H]1CC ZINC001087637694 781992390 /nfs/dbraw/zinc/99/23/90/781992390.db2.gz FIXNYBYDNQGGNT-DLBZAZTESA-N 1 2 325.412 2.297 20 30 EEEDLO C#C[C@H](CCC)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000491633170 533312811 /nfs/dbraw/zinc/31/28/11/533312811.db2.gz INLVWQRDFRLEDT-MRXNPFEDSA-N 1 2 338.411 2.444 20 30 EEEDLO C#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1ccc(Cl)cc1 ZINC000491718180 533334406 /nfs/dbraw/zinc/33/44/06/533334406.db2.gz TZVGNNFOAOFSPE-AWEZNQCLSA-N 1 2 337.770 2.420 20 30 EEEDLO C#C[C@H](NC(=O)NCc1ccc[nH+]c1N(C)C)c1ccc(F)cc1 ZINC000491706955 533329060 /nfs/dbraw/zinc/32/90/60/533329060.db2.gz 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ZINC000343726262 161162344 /nfs/dbraw/zinc/16/23/44/161162344.db2.gz GPMRBOKRQCRHHQ-UHFFFAOYSA-N 1 2 347.415 2.307 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1Cl ZINC000374749026 167046650 /nfs/dbraw/zinc/04/66/50/167046650.db2.gz BUYPZNGGUGLSPT-CYBMUJFWSA-N 1 2 336.804 2.461 20 30 EEEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000292542342 267022882 /nfs/dbraw/zinc/02/28/82/267022882.db2.gz JOSKCKPRFYQDPF-WBMJQRKESA-N 1 2 348.403 2.166 20 30 EEEDLO CCCOc1nccnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527829055 267028410 /nfs/dbraw/zinc/02/84/10/267028410.db2.gz ROSQCCQFTLYUJY-UHFFFAOYSA-N 1 2 337.427 2.459 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000289731217 267089206 /nfs/dbraw/zinc/08/92/06/267089206.db2.gz KBJKFCAXPJRUID-DOMZBBRYSA-N 1 2 332.379 2.024 20 30 EEEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000451924046 267259299 /nfs/dbraw/zinc/25/92/99/267259299.db2.gz BBQSETWTLKTMPN-VIFPVBQESA-N 1 2 340.355 2.092 20 30 EEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000280491618 268091409 /nfs/dbraw/zinc/09/14/09/268091409.db2.gz VPDKJKZEFJSVCP-QGZVFWFLSA-N 1 2 333.395 2.254 20 30 EEEDLO Cc1noc([C@@H]2CCCC[N@@H+]2C[C@H](O)COc2ccccc2C#N)n1 ZINC000528508460 268099399 /nfs/dbraw/zinc/09/93/99/268099399.db2.gz WHBLHWLGLKTLEH-HOTGVXAUSA-N 1 2 342.399 2.217 20 30 EEEDLO Cc1noc([C@@H]2CCCC[N@H+]2C[C@H](O)COc2ccccc2C#N)n1 ZINC000528508460 268099402 /nfs/dbraw/zinc/09/94/02/268099402.db2.gz WHBLHWLGLKTLEH-HOTGVXAUSA-N 1 2 342.399 2.217 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(c3ncc(F)cn3)CC2)c(Cl)c1 ZINC000439434422 268221108 /nfs/dbraw/zinc/22/11/08/268221108.db2.gz BPNPSCKCBSWWSB-UHFFFAOYSA-N 1 2 331.782 2.463 20 30 EEEDLO N#Cc1cccc([N+](=O)[O-])c1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000425201032 268294149 /nfs/dbraw/zinc/29/41/49/268294149.db2.gz AAEGVKBVMKKNGI-UHFFFAOYSA-N 1 2 339.355 2.310 20 30 EEEDLO N#Cc1csc(C[NH2+]C2CN(C(=O)OCc3ccccc3)C2)n1 ZINC000397485298 268320724 /nfs/dbraw/zinc/32/07/24/268320724.db2.gz UJWPANOPMAHUQM-UHFFFAOYSA-N 1 2 328.397 2.125 20 30 EEEDLO Cc1oc(C#N)cc1C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000280541325 269371117 /nfs/dbraw/zinc/37/11/17/269371117.db2.gz CZXHLGCKJVTTRF-UHFFFAOYSA-N 1 2 326.278 2.491 20 30 EEEDLO N#Cc1cc(Cl)ccc1C[N@@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000359911501 303180928 /nfs/dbraw/zinc/18/09/28/303180928.db2.gz NKIRHXDDOLTSQJ-ZDUSSCGKSA-N 1 2 336.741 2.319 20 30 EEEDLO N#Cc1cc(Cl)ccc1C[N@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000359911501 303180930 /nfs/dbraw/zinc/18/09/30/303180930.db2.gz NKIRHXDDOLTSQJ-ZDUSSCGKSA-N 1 2 336.741 2.319 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)c1C#N ZINC000540863648 318079655 /nfs/dbraw/zinc/07/96/55/318079655.db2.gz OVWGUAWKLJDMDZ-CQSZACIVSA-N 1 2 339.399 2.151 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)c1C#N ZINC000540863648 318079657 /nfs/dbraw/zinc/07/96/57/318079657.db2.gz OVWGUAWKLJDMDZ-CQSZACIVSA-N 1 2 339.399 2.151 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)c1C#N ZINC000540863648 318079660 /nfs/dbraw/zinc/07/96/60/318079660.db2.gz OVWGUAWKLJDMDZ-CQSZACIVSA-N 1 2 339.399 2.151 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)c1C#N ZINC000540863648 318079662 /nfs/dbraw/zinc/07/96/62/318079662.db2.gz OVWGUAWKLJDMDZ-CQSZACIVSA-N 1 2 339.399 2.151 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)c1C#N ZINC000540863648 318079665 /nfs/dbraw/zinc/07/96/65/318079665.db2.gz OVWGUAWKLJDMDZ-CQSZACIVSA-N 1 2 339.399 2.151 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)c1C#N ZINC000540863648 318079666 /nfs/dbraw/zinc/07/96/66/318079666.db2.gz OVWGUAWKLJDMDZ-CQSZACIVSA-N 1 2 339.399 2.151 20 30 EEEDLO Cc1noc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000543509862 318160386 /nfs/dbraw/zinc/16/03/86/318160386.db2.gz ZPTUYTPUKHAYKL-RKDXNWHRSA-N 1 2 345.428 2.478 20 30 EEEDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2ccnc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000563548597 319022725 /nfs/dbraw/zinc/02/27/25/319022725.db2.gz ITHOLTDXHGIBCD-YOEHRIQHSA-N 1 2 343.818 2.485 20 30 EEEDLO C[N@H+]1CCO[C@H]([C@@H](Nc2ccnc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000563548597 319022728 /nfs/dbraw/zinc/02/27/28/319022728.db2.gz ITHOLTDXHGIBCD-YOEHRIQHSA-N 1 2 343.818 2.485 20 30 EEEDLO N#Cc1cccc(S(=O)(=O)Nc2c[nH+]ccc2N2CCCC2)c1 ZINC000564624115 319094608 /nfs/dbraw/zinc/09/46/08/319094608.db2.gz ORCADKSZZGGFRV-UHFFFAOYSA-N 1 2 328.397 2.354 20 30 EEEDLO COC(=O)c1ccccc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000565297135 319170019 /nfs/dbraw/zinc/17/00/19/319170019.db2.gz MXTWQFQZURGMQD-UHFFFAOYSA-N 1 2 336.395 2.062 20 30 EEEDLO C[N@H+](CCN1CCCC1=O)Cc1cc(C#N)ccc1Br ZINC000576890794 320213320 /nfs/dbraw/zinc/21/33/20/320213320.db2.gz GENGWFMQNDZCBJ-UHFFFAOYSA-N 1 2 336.233 2.375 20 30 EEEDLO C[N@@H+](CCN1CCCC1=O)Cc1cc(C#N)ccc1Br ZINC000576890794 320213322 /nfs/dbraw/zinc/21/33/22/320213322.db2.gz GENGWFMQNDZCBJ-UHFFFAOYSA-N 1 2 336.233 2.375 20 30 EEEDLO Cc1cc(NC(=O)C[NH+]2CCC(Nc3ccccc3C#N)CC2)no1 ZINC000602896125 449903447 /nfs/dbraw/zinc/90/34/47/449903447.db2.gz ICCOEMSCVDTLFP-UHFFFAOYSA-N 1 2 339.399 2.370 20 30 EEEDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1ccc(C#N)cc1F ZINC000328616245 465072716 /nfs/dbraw/zinc/07/27/16/465072716.db2.gz BMUNOXXOWLLALK-UHFFFAOYSA-N 1 2 348.403 2.051 20 30 EEEDLO O=C(COc1ccsc1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000328804117 465133666 /nfs/dbraw/zinc/13/36/66/465133666.db2.gz LMSKCBDUVDPJPJ-OAHLLOKOSA-N 1 2 342.486 2.291 20 30 EEEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000328841579 465143697 /nfs/dbraw/zinc/14/36/97/465143697.db2.gz ZQTVIRYJIYNNTF-KDOFPFPSSA-N 1 2 343.431 2.017 20 30 EEEDLO O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329000740 465198754 /nfs/dbraw/zinc/19/87/54/465198754.db2.gz VRWPHSIDIUVBHC-NVXWUHKLSA-N 1 2 338.411 2.203 20 30 EEEDLO CCn1ccnc1[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000296603003 465227008 /nfs/dbraw/zinc/22/70/08/465227008.db2.gz XUYJGBXDPSDYNH-RHSMWYFYSA-N 1 2 337.427 2.226 20 30 EEEDLO O=C(C[N@@H+]1CCO[C@]2(CCCOC2)C1)NCCc1ccc(F)cc1 ZINC000329082738 465227641 /nfs/dbraw/zinc/22/76/41/465227641.db2.gz SLDIGSFQQUPCSV-GOSISDBHSA-N 1 2 336.407 2.206 20 30 EEEDLO O=C(C[N@H+]1CCO[C@]2(CCCOC2)C1)NCCc1ccc(F)cc1 ZINC000329082738 465227645 /nfs/dbraw/zinc/22/76/45/465227645.db2.gz SLDIGSFQQUPCSV-GOSISDBHSA-N 1 2 336.407 2.206 20 30 EEEDLO O=C(C[NH+]1CCC(N2CCCC2=O)CC1)Nc1ccc2c(c1)OCO2 ZINC000329117263 465239029 /nfs/dbraw/zinc/23/90/29/465239029.db2.gz UJLCLCBJZQHJDL-UHFFFAOYSA-N 1 2 345.399 2.090 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296904602 465239141 /nfs/dbraw/zinc/23/91/41/465239141.db2.gz VZMIAWAFHZAZNS-UHFFFAOYSA-N 1 2 329.444 2.175 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296904602 465239143 /nfs/dbraw/zinc/23/91/43/465239143.db2.gz VZMIAWAFHZAZNS-UHFFFAOYSA-N 1 2 329.444 2.175 20 30 EEEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2cnc3c(Br)cccn23)C1 ZINC000329195785 465264561 /nfs/dbraw/zinc/26/45/61/465264561.db2.gz UKHGKLUBXMXNFQ-JTQLQIEISA-N 1 2 339.193 2.015 20 30 EEEDLO C[N@H+]1CCO[C@H](C(=O)Nc2cnc3c(Br)cccn23)C1 ZINC000329195785 465264566 /nfs/dbraw/zinc/26/45/66/465264566.db2.gz UKHGKLUBXMXNFQ-JTQLQIEISA-N 1 2 339.193 2.015 20 30 EEEDLO COCC1(C#N)CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000341977652 465279303 /nfs/dbraw/zinc/27/93/03/465279303.db2.gz MMIYZYUDTLVPQU-UHFFFAOYSA-N 1 2 337.383 2.360 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000341981333 465280597 /nfs/dbraw/zinc/28/05/97/465280597.db2.gz BRKBLAYWWWOCAR-CYBMUJFWSA-N 1 2 346.387 2.174 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2CCCOC2)CC1 ZINC000329377830 465315948 /nfs/dbraw/zinc/31/59/48/465315948.db2.gz MEIWVLZLDBUJDQ-LZLYRXPVSA-N 1 2 346.475 2.489 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc4c(c3)NC(=O)CO4)CCO2)c1 ZINC000351794710 465365071 /nfs/dbraw/zinc/36/50/71/465365071.db2.gz FWIXLMVDLNUKRN-LJQANCHMSA-N 1 2 349.390 2.463 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc4c(c3)NC(=O)CO4)CCO2)c1 ZINC000351794710 465365076 /nfs/dbraw/zinc/36/50/76/465365076.db2.gz FWIXLMVDLNUKRN-LJQANCHMSA-N 1 2 349.390 2.463 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H](O)c2ccccc2Cl)n1 ZINC000491043247 468290941 /nfs/dbraw/zinc/29/09/41/468290941.db2.gz AADIBZZPMCOJGI-SFHVURJKSA-N 1 2 347.846 2.352 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H](O)c2ccccc2Cl)n1 ZINC000491043247 468290945 /nfs/dbraw/zinc/29/09/45/468290945.db2.gz AADIBZZPMCOJGI-SFHVURJKSA-N 1 2 347.846 2.352 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000329696243 465410008 /nfs/dbraw/zinc/41/00/08/465410008.db2.gz BSTGIBCNAZYYAF-CKEIUWERSA-N 1 2 344.390 2.128 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000329696243 465410011 /nfs/dbraw/zinc/41/00/11/465410011.db2.gz BSTGIBCNAZYYAF-CKEIUWERSA-N 1 2 344.390 2.128 20 30 EEEDLO CCN(CC)C(=O)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000060468243 462551018 /nfs/dbraw/zinc/55/10/18/462551018.db2.gz BYZIAGGNWAZGCF-UHFFFAOYSA-N 1 2 330.432 2.016 20 30 EEEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000128468289 462642423 /nfs/dbraw/zinc/64/24/23/462642423.db2.gz PDUDJDBEZSILFL-BXXXDOFISA-N 1 2 347.415 2.487 20 30 EEEDLO N#C[C@@H]1CC[C@@H](n2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000590724916 468317767 /nfs/dbraw/zinc/31/77/67/468317767.db2.gz VSELSPLBAFFABO-BRWVUGGUSA-N 1 2 338.415 2.111 20 30 EEEDLO N#C[C@@H]1CC[C@@H](n2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000590724916 468317770 /nfs/dbraw/zinc/31/77/70/468317770.db2.gz VSELSPLBAFFABO-BRWVUGGUSA-N 1 2 338.415 2.111 20 30 EEEDLO C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000047858932 462829636 /nfs/dbraw/zinc/82/96/36/462829636.db2.gz NSXXZCJQZHHDHQ-MRXNPFEDSA-N 1 2 349.438 2.127 20 30 EEEDLO C=CC[N@H+](CC(=O)NC(=O)NCc1ccco1)Cc1cccs1 ZINC000019540560 463019625 /nfs/dbraw/zinc/01/96/25/463019625.db2.gz RWCWUVCXAKDTSD-UHFFFAOYSA-N 1 2 333.413 2.355 20 30 EEEDLO C=CC[N@@H+](CC(=O)NC(=O)NCc1ccco1)Cc1cccs1 ZINC000019540560 463019629 /nfs/dbraw/zinc/01/96/29/463019629.db2.gz RWCWUVCXAKDTSD-UHFFFAOYSA-N 1 2 333.413 2.355 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000051315394 463031962 /nfs/dbraw/zinc/03/19/62/463031962.db2.gz XMLKAUAGCDOSTI-AWEZNQCLSA-N 1 2 345.443 2.070 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000051315394 463031965 /nfs/dbraw/zinc/03/19/65/463031965.db2.gz XMLKAUAGCDOSTI-AWEZNQCLSA-N 1 2 345.443 2.070 20 30 EEEDLO C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000052442383 463080162 /nfs/dbraw/zinc/08/01/62/463080162.db2.gz JCIPLRIUQRQFSV-MRXNPFEDSA-N 1 2 349.438 2.127 20 30 EEEDLO COc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1C#N ZINC000135076417 463115280 /nfs/dbraw/zinc/11/52/80/463115280.db2.gz JTDNWVZNZAPDLY-KRWDZBQOSA-N 1 2 339.395 2.441 20 30 EEEDLO COc1ccc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1C#N ZINC000135076417 463115284 /nfs/dbraw/zinc/11/52/84/463115284.db2.gz JTDNWVZNZAPDLY-KRWDZBQOSA-N 1 2 339.395 2.441 20 30 EEEDLO OC[C@@H](O)C[N@@H+](CC#Cc1ccccc1Cl)CCC(F)(F)F ZINC000135140193 463122363 /nfs/dbraw/zinc/12/23/63/463122363.db2.gz WGQZBHBAPNDEIS-ZDUSSCGKSA-N 1 2 335.753 2.299 20 30 EEEDLO OC[C@@H](O)C[N@H+](CC#Cc1ccccc1Cl)CCC(F)(F)F ZINC000135140193 463122367 /nfs/dbraw/zinc/12/23/67/463122367.db2.gz WGQZBHBAPNDEIS-ZDUSSCGKSA-N 1 2 335.753 2.299 20 30 EEEDLO N#Cc1cccc(NC(=O)C[NH+]2CCN(c3cccs3)CC2)c1 ZINC000121448884 463137901 /nfs/dbraw/zinc/13/79/01/463137901.db2.gz RGRVCWYRZBUAJL-UHFFFAOYSA-N 1 2 326.425 2.380 20 30 EEEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)CCCCC#N)c1C ZINC000068905767 463188717 /nfs/dbraw/zinc/18/87/17/463188717.db2.gz WEXZZXUSMLMUKV-UHFFFAOYSA-N 1 2 325.434 2.163 20 30 EEEDLO NC(=[NH+]OCC(=O)NC1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000054181700 463215753 /nfs/dbraw/zinc/21/57/53/463215753.db2.gz KXRSLNYHAHZJPK-UHFFFAOYSA-N 1 2 329.322 2.401 20 30 EEEDLO C[C@@H](C1CC1)N(C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2)C1CC1 ZINC000158208151 463216131 /nfs/dbraw/zinc/21/61/31/463216131.db2.gz ZPUMZMCRHALTNO-LBPRGKRZSA-N 1 2 343.427 2.048 20 30 EEEDLO Cc1ccccc1OC[C@@H](O)C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000158572770 463241447 /nfs/dbraw/zinc/24/14/47/463241447.db2.gz RJSRVQPGOKEVGM-KRWDZBQOSA-N 1 2 338.407 2.370 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000029156836 463244145 /nfs/dbraw/zinc/24/41/45/463244145.db2.gz CCGIDXZBDBDWIU-QAPCUYQASA-N 1 2 348.516 2.309 20 30 EEEDLO Cc1ccc(F)cc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000080162743 463289084 /nfs/dbraw/zinc/28/90/84/463289084.db2.gz FQSYRSDGOIOMGQ-UHFFFAOYSA-N 1 2 334.395 2.214 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159524451 463291256 /nfs/dbraw/zinc/29/12/56/463291256.db2.gz VONIXYCHOKKVIB-OXJNMPFZSA-N 1 2 341.455 2.168 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159524451 463291259 /nfs/dbraw/zinc/29/12/59/463291259.db2.gz VONIXYCHOKKVIB-OXJNMPFZSA-N 1 2 341.455 2.168 20 30 EEEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1cc(Br)ccc1F ZINC000122836355 463295484 /nfs/dbraw/zinc/29/54/84/463295484.db2.gz LCZXQEPLASZCDF-JTQLQIEISA-N 1 2 327.197 2.158 20 30 EEEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1F ZINC000122836355 463295488 /nfs/dbraw/zinc/29/54/88/463295488.db2.gz LCZXQEPLASZCDF-JTQLQIEISA-N 1 2 327.197 2.158 20 30 EEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000141053172 463349169 /nfs/dbraw/zinc/34/91/69/463349169.db2.gz MAUBRRHXGFYABR-HNNXBMFYSA-N 1 2 341.333 2.132 20 30 EEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000080906793 463364802 /nfs/dbraw/zinc/36/48/02/463364802.db2.gz JDLQJZMDAUTPRV-LJQANCHMSA-N 1 2 340.471 2.318 20 30 EEEDLO C#CCNC(=O)c1ccc(N(C)Cc2[nH+]cc(C)c(OC)c2C)nc1 ZINC000080970855 463375415 /nfs/dbraw/zinc/37/54/15/463375415.db2.gz CWLCVBGNQISPHQ-UHFFFAOYSA-N 1 2 338.411 2.101 20 30 EEEDLO N#CCC[N@@H+](CC(=O)N1CCN(c2ccccc2F)CC1)CC1CC1 ZINC000081043608 463385659 /nfs/dbraw/zinc/38/56/59/463385659.db2.gz DCBFIEIOKMHOQZ-UHFFFAOYSA-N 1 2 344.434 2.100 20 30 EEEDLO N#CCC[N@H+](CC(=O)N1CCN(c2ccccc2F)CC1)CC1CC1 ZINC000081043608 463385662 /nfs/dbraw/zinc/38/56/62/463385662.db2.gz DCBFIEIOKMHOQZ-UHFFFAOYSA-N 1 2 344.434 2.100 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)s1 ZINC000124719305 463456551 /nfs/dbraw/zinc/45/65/51/463456551.db2.gz ZLHAKPIAIIRVTR-UHFFFAOYSA-N 1 2 340.452 2.376 20 30 EEEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000071955325 463478289 /nfs/dbraw/zinc/47/82/89/463478289.db2.gz IUGQRIICFWOPHI-UHFFFAOYSA-N 1 2 346.434 2.270 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000072774494 463544145 /nfs/dbraw/zinc/54/41/45/463544145.db2.gz LGZBWIMRCUEFCB-MRXNPFEDSA-N 1 2 339.443 2.124 20 30 EEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170836873 463719727 /nfs/dbraw/zinc/71/97/27/463719727.db2.gz VDPGZPUYOSRFRZ-UHFFFAOYSA-N 1 2 347.434 2.081 20 30 EEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170836873 463719732 /nfs/dbraw/zinc/71/97/32/463719732.db2.gz VDPGZPUYOSRFRZ-UHFFFAOYSA-N 1 2 347.434 2.081 20 30 EEEDLO CC[C@](C)(C#N)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000286888688 463734773 /nfs/dbraw/zinc/73/47/73/463734773.db2.gz XDICCVLSUOWQAM-LJQANCHMSA-N 1 2 342.443 2.229 20 30 EEEDLO N#CCOc1ccc(/C=C\C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000255907795 463753674 /nfs/dbraw/zinc/75/36/74/463753674.db2.gz QJGOHHHLYWARSX-UXHZXRBQSA-N 1 2 348.406 2.392 20 30 EEEDLO C#CCC(C)(C)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000185275653 463792953 /nfs/dbraw/zinc/79/29/53/463792953.db2.gz HXMRZIHKFWKNPP-UHFFFAOYSA-N 1 2 344.455 2.063 20 30 EEEDLO Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCN(c3cccc(F)c3C#N)CC2)n1 ZINC000177917596 463815004 /nfs/dbraw/zinc/81/50/04/463815004.db2.gz OEBBIGJKGXRRRO-ZDUSSCGKSA-N 1 2 341.390 2.385 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000185415109 463819075 /nfs/dbraw/zinc/81/90/75/463819075.db2.gz VGTBONOPLLNESQ-AWEZNQCLSA-N 1 2 341.415 2.073 20 30 EEEDLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000194321515 463835504 /nfs/dbraw/zinc/83/55/04/463835504.db2.gz NRNLBAFKHQDOJZ-CQSZACIVSA-N 1 2 325.372 2.068 20 30 EEEDLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000194321515 463835513 /nfs/dbraw/zinc/83/55/13/463835513.db2.gz NRNLBAFKHQDOJZ-CQSZACIVSA-N 1 2 325.372 2.068 20 30 EEEDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)nc3)c2C1 ZINC000171345905 463849021 /nfs/dbraw/zinc/84/90/21/463849021.db2.gz YOIJXURWSSADNW-UHFFFAOYSA-N 1 2 342.424 2.480 20 30 EEEDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)nc3)c2C1 ZINC000171345905 463849026 /nfs/dbraw/zinc/84/90/26/463849026.db2.gz YOIJXURWSSADNW-UHFFFAOYSA-N 1 2 342.424 2.480 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000195066720 463985467 /nfs/dbraw/zinc/98/54/67/463985467.db2.gz CXSGFCUQBATKPZ-TZMCWYRMSA-N 1 2 344.440 2.222 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1C#N ZINC000179200845 464080308 /nfs/dbraw/zinc/08/03/08/464080308.db2.gz CARWPLLFSDUGAY-UHFFFAOYSA-N 1 2 333.395 2.156 20 30 EEEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@H](C2CC2)O1 ZINC000279364975 464092079 /nfs/dbraw/zinc/09/20/79/464092079.db2.gz RIBMSSFREQGNQV-QAPCUYQASA-N 1 2 327.428 2.433 20 30 EEEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@H](C2CC2)O1 ZINC000279364975 464092081 /nfs/dbraw/zinc/09/20/81/464092081.db2.gz RIBMSSFREQGNQV-QAPCUYQASA-N 1 2 327.428 2.433 20 30 EEEDLO Cc1c(Cl)cccc1NC(=O)[C@H](C)O[NH+]=C(N)[C@@H]1CCCO1 ZINC000284408365 464182106 /nfs/dbraw/zinc/18/21/06/464182106.db2.gz NLEBKKAGTNTODD-GWCFXTLKSA-N 1 2 325.796 2.443 20 30 EEEDLO NC(=[NH+]OCc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000292449337 464235915 /nfs/dbraw/zinc/23/59/15/464235915.db2.gz NLEYPTVLAUFNRU-NSHDSACASA-N 1 2 344.165 2.325 20 30 EEEDLO CCN1CCN(C(=O)NCCc2csc(C)n2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329837819 465449096 /nfs/dbraw/zinc/44/90/96/465449096.db2.gz MZWMLIOEDJDRFG-AWEZNQCLSA-N 1 2 348.476 2.010 20 30 EEEDLO Cc1nnc(CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)s1 ZINC000271492808 464322464 /nfs/dbraw/zinc/32/24/64/464322464.db2.gz LCOVODRXQNAKQP-UHFFFAOYSA-N 1 2 332.433 2.069 20 30 EEEDLO CO[C@@H]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000292730928 464322635 /nfs/dbraw/zinc/32/26/35/464322635.db2.gz TWOGRVNFPGXXDH-RTBURBONSA-N 1 2 341.455 2.408 20 30 EEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC(=O)Nc1cc(F)ccc1F ZINC000174219370 464379354 /nfs/dbraw/zinc/37/93/54/464379354.db2.gz UMKDBWDAAYYMMK-JTQLQIEISA-N 1 2 329.347 2.253 20 30 EEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCC(=O)NCc1ccc(Cl)cc1 ZINC000174219183 464379621 /nfs/dbraw/zinc/37/96/21/464379621.db2.gz SNZDDQXRAAJONN-GFCCVEGCSA-N 1 2 341.839 2.306 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)C1=O ZINC000281232995 464379719 /nfs/dbraw/zinc/37/97/19/464379719.db2.gz FNDRSQZNKAFAGT-NHYWBVRUSA-N 1 2 337.370 2.011 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)C1=O ZINC000281232995 464379727 /nfs/dbraw/zinc/37/97/27/464379727.db2.gz FNDRSQZNKAFAGT-NHYWBVRUSA-N 1 2 337.370 2.011 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329895001 465466034 /nfs/dbraw/zinc/46/60/34/465466034.db2.gz BRFCAGBVMUHDJM-IIDMSEBBSA-N 1 2 335.448 2.438 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329895001 465466042 /nfs/dbraw/zinc/46/60/42/465466042.db2.gz BRFCAGBVMUHDJM-IIDMSEBBSA-N 1 2 335.448 2.438 20 30 EEEDLO N#Cc1ccc2c(c1)N(C(=O)[C@H]1COCC[N@@H+]1C1CCCC1)CC2 ZINC000281354986 464425716 /nfs/dbraw/zinc/42/57/16/464425716.db2.gz WZGXTDUGWUFOFX-GOSISDBHSA-N 1 2 325.412 2.091 20 30 EEEDLO N#Cc1ccc2c(c1)N(C(=O)[C@H]1COCC[N@H+]1C1CCCC1)CC2 ZINC000281354986 464425720 /nfs/dbraw/zinc/42/57/20/464425720.db2.gz WZGXTDUGWUFOFX-GOSISDBHSA-N 1 2 325.412 2.091 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)C1=O ZINC000281377162 464432751 /nfs/dbraw/zinc/43/27/51/464432751.db2.gz OUPBOQPGCUZPDU-AWEZNQCLSA-N 1 2 339.798 2.136 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)C1=O ZINC000281377162 464432757 /nfs/dbraw/zinc/43/27/57/464432757.db2.gz OUPBOQPGCUZPDU-AWEZNQCLSA-N 1 2 339.798 2.136 20 30 EEEDLO CC(C)[C@@H](CNC(=O)c1cc(C#N)ccc1Cl)[NH+]1CCOCC1 ZINC000285401506 464550831 /nfs/dbraw/zinc/55/08/31/464550831.db2.gz JWRFSGVNBXVLTI-MRXNPFEDSA-N 1 2 335.835 2.298 20 30 EEEDLO C=CCCCC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000175461630 464554120 /nfs/dbraw/zinc/55/41/20/464554120.db2.gz NDRNLDUXKDUCEG-UHFFFAOYSA-N 1 2 332.444 2.370 20 30 EEEDLO CC(C)(C)OC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)[C@@H](C#N)C1 ZINC000285447708 464568687 /nfs/dbraw/zinc/56/86/87/464568687.db2.gz IUGMDDHZNFBNMD-HNNXBMFYSA-N 1 2 341.415 2.279 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1c1nc(C)no1 ZINC000285470837 464577824 /nfs/dbraw/zinc/57/78/24/464577824.db2.gz AWCQUCPLMZYNKY-AWEZNQCLSA-N 1 2 328.372 2.474 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1c1nc(C)no1 ZINC000285470837 464577826 /nfs/dbraw/zinc/57/78/26/464577826.db2.gz AWCQUCPLMZYNKY-AWEZNQCLSA-N 1 2 328.372 2.474 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ncc(Cl)cc1Cl ZINC000182390851 464642962 /nfs/dbraw/zinc/64/29/62/464642962.db2.gz URFQEASLYQUWTD-UHFFFAOYSA-N 1 2 343.258 2.436 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc2cc[nH]c21 ZINC000547527937 468415160 /nfs/dbraw/zinc/41/51/60/468415160.db2.gz KQXGAUYSWLMUKZ-UHFFFAOYSA-N 1 2 341.415 2.248 20 30 EEEDLO Cc1ccnc(OC2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000272888679 464693745 /nfs/dbraw/zinc/69/37/45/464693745.db2.gz DLDDJJZXZVDCHW-IBGZPJMESA-N 1 2 344.459 2.288 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000285972363 464759841 /nfs/dbraw/zinc/75/98/41/464759841.db2.gz XHLJWUVVUHJIPJ-CRAIPNDOSA-N 1 2 342.443 2.063 20 30 EEEDLO COc1cc(C(N)=[NH+]OCCOCC(F)F)cc(Cl)c1OC ZINC000276095290 464806702 /nfs/dbraw/zinc/80/67/02/464806702.db2.gz RKXBJWWHTZVJMT-UHFFFAOYSA-N 1 2 338.738 2.276 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000191631882 464823326 /nfs/dbraw/zinc/82/33/26/464823326.db2.gz TVYXMXIBYXCCOM-KXBFYZLASA-N 1 2 346.450 2.391 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000191631882 464823334 /nfs/dbraw/zinc/82/33/34/464823334.db2.gz TVYXMXIBYXCCOM-KXBFYZLASA-N 1 2 346.450 2.391 20 30 EEEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)C1 ZINC000266815749 464831702 /nfs/dbraw/zinc/83/17/02/464831702.db2.gz GXNOHYWUIHXXBH-NWDGAFQWSA-N 1 2 328.199 2.005 20 30 EEEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)C1 ZINC000266815749 464831708 /nfs/dbraw/zinc/83/17/08/464831708.db2.gz GXNOHYWUIHXXBH-NWDGAFQWSA-N 1 2 328.199 2.005 20 30 EEEDLO CC(C)(C[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1)C(N)=O ZINC000295527668 464870500 /nfs/dbraw/zinc/87/05/00/464870500.db2.gz IUIZWGIZBGXVRE-LBPRGKRZSA-N 1 2 348.472 2.172 20 30 EEEDLO CC(C)(C[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1)C(N)=O ZINC000295527668 464870504 /nfs/dbraw/zinc/87/05/04/464870504.db2.gz IUIZWGIZBGXVRE-LBPRGKRZSA-N 1 2 348.472 2.172 20 30 EEEDLO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000286527559 464949817 /nfs/dbraw/zinc/94/98/17/464949817.db2.gz RBSZUFZLBVOYRN-AWEZNQCLSA-N 1 2 346.431 2.087 20 30 EEEDLO CNC(=O)CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000286527559 464949823 /nfs/dbraw/zinc/94/98/23/464949823.db2.gz RBSZUFZLBVOYRN-AWEZNQCLSA-N 1 2 346.431 2.087 20 30 EEEDLO C#CCO[C@H](C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000295827392 464978243 /nfs/dbraw/zinc/97/82/43/464978243.db2.gz GXXZAGDJHWCHKT-CQSZACIVSA-N 1 2 327.384 2.280 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cscc2Br)CC1 ZINC000286620284 464981539 /nfs/dbraw/zinc/98/15/39/464981539.db2.gz YUDGIWCCSOBOQY-UHFFFAOYSA-N 1 2 327.247 2.292 20 30 EEEDLO C[C@@]1(CNC(=O)Nc2ccccc2C[NH+]2CCOCC2)CCOC1 ZINC000329407615 465323892 /nfs/dbraw/zinc/32/38/92/465323892.db2.gz ZQAYYCLUABOPIP-SFHVURJKSA-N 1 2 333.432 2.271 20 30 EEEDLO CCC(=O)N[C@@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000329460523 465341320 /nfs/dbraw/zinc/34/13/20/465341320.db2.gz SDNORJRSJZVWCH-CYBMUJFWSA-N 1 2 327.388 2.238 20 30 EEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC000329986821 465497018 /nfs/dbraw/zinc/49/70/18/465497018.db2.gz SDMYQGJVOIPIAR-SGMGOOAPSA-N 1 2 338.383 2.279 20 30 EEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC000329986821 465497025 /nfs/dbraw/zinc/49/70/25/465497025.db2.gz SDMYQGJVOIPIAR-SGMGOOAPSA-N 1 2 338.383 2.279 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC2(CCCCC2)O1 ZINC000330060596 465520624 /nfs/dbraw/zinc/52/06/24/465520624.db2.gz MXRKHZNHSUQYPB-HZPDHXFCSA-N 1 2 339.480 2.093 20 30 EEEDLO C=CC[N@H+](Cc1nc(C)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343555719 465527518 /nfs/dbraw/zinc/52/75/18/465527518.db2.gz FLCMXHMZDRCGMK-LBPRGKRZSA-N 1 2 325.376 2.103 20 30 EEEDLO C=CC[N@@H+](Cc1nc(C)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343555719 465527524 /nfs/dbraw/zinc/52/75/24/465527524.db2.gz FLCMXHMZDRCGMK-LBPRGKRZSA-N 1 2 325.376 2.103 20 30 EEEDLO CC[C@H](C)NC(=O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348305376 465541213 /nfs/dbraw/zinc/54/12/13/465541213.db2.gz JXLYJWKFOSEFGC-WMLDXEAASA-N 1 2 348.878 2.437 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000344053904 465580531 /nfs/dbraw/zinc/58/05/31/465580531.db2.gz XGYOWEMVSAIJDX-SFHVURJKSA-N 1 2 330.432 2.010 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1ccnn1C ZINC000348398941 465581299 /nfs/dbraw/zinc/58/12/99/465581299.db2.gz IKLDOKDFQCWIPM-NSHDSACASA-N 1 2 331.807 2.404 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1ccnn1C ZINC000348398941 465581308 /nfs/dbraw/zinc/58/13/08/465581308.db2.gz IKLDOKDFQCWIPM-NSHDSACASA-N 1 2 331.807 2.404 20 30 EEEDLO CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330337084 465619410 /nfs/dbraw/zinc/61/94/10/465619410.db2.gz SXYLWUMSNNHZSA-JKIFEVAISA-N 1 2 343.431 2.396 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000299284061 465681447 /nfs/dbraw/zinc/68/14/47/465681447.db2.gz CYSDTABJJOSTOJ-FUHWJXTLSA-N 1 2 332.444 2.157 20 30 EEEDLO Cc1ccccc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366371958 465686493 /nfs/dbraw/zinc/68/64/93/465686493.db2.gz BRJIJRWKJVUPFG-INIZCTEOSA-N 1 2 336.395 2.354 20 30 EEEDLO Cc1ccccc1NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366371958 465686502 /nfs/dbraw/zinc/68/65/02/465686502.db2.gz BRJIJRWKJVUPFG-INIZCTEOSA-N 1 2 336.395 2.354 20 30 EEEDLO N#Cc1csc(CNc2cccc(C[N@@H+]3CCNC(=O)C3)c2)c1 ZINC000361009549 465698071 /nfs/dbraw/zinc/69/80/71/465698071.db2.gz LKEVJDDOZURBOB-UHFFFAOYSA-N 1 2 326.425 2.164 20 30 EEEDLO N#Cc1csc(CNc2cccc(C[N@H+]3CCNC(=O)C3)c2)c1 ZINC000361009549 465698081 /nfs/dbraw/zinc/69/80/81/465698081.db2.gz LKEVJDDOZURBOB-UHFFFAOYSA-N 1 2 326.425 2.164 20 30 EEEDLO C=C[C@H](CC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000340162061 465834477 /nfs/dbraw/zinc/83/44/77/465834477.db2.gz RLBMPCZYPYKEPK-GOSISDBHSA-N 1 2 338.455 2.424 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000340195385 465862968 /nfs/dbraw/zinc/86/29/68/465862968.db2.gz FENGSGGHANUNHU-DZGCQCFKSA-N 1 2 341.333 2.274 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000340195385 465862972 /nfs/dbraw/zinc/86/29/72/465862972.db2.gz FENGSGGHANUNHU-DZGCQCFKSA-N 1 2 341.333 2.274 20 30 EEEDLO Cc1c(C#N)cccc1C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000338227646 465918096 /nfs/dbraw/zinc/91/80/96/465918096.db2.gz NRXNQJAWLYSJRH-QGZVFWFLSA-N 1 2 327.428 2.050 20 30 EEEDLO Cc1c(C#N)cccc1C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000338227646 465918105 /nfs/dbraw/zinc/91/81/05/465918105.db2.gz NRXNQJAWLYSJRH-QGZVFWFLSA-N 1 2 327.428 2.050 20 30 EEEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2ccc(C#N)nn2)c2ccc(Cl)cc2)C1 ZINC000301971615 466070953 /nfs/dbraw/zinc/07/09/53/466070953.db2.gz SMTUOOADSHCJMA-DOTOQJQBSA-N 1 2 343.818 2.485 20 30 EEEDLO C[N@H+]1CCO[C@H]([C@H](Nc2ccc(C#N)nn2)c2ccc(Cl)cc2)C1 ZINC000301971615 466070959 /nfs/dbraw/zinc/07/09/59/466070959.db2.gz SMTUOOADSHCJMA-DOTOQJQBSA-N 1 2 343.818 2.485 20 30 EEEDLO CCc1nc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)o1 ZINC000349360201 466082382 /nfs/dbraw/zinc/08/23/82/466082382.db2.gz VPBYHUKKOPSVIR-UHFFFAOYSA-N 1 2 338.411 2.375 20 30 EEEDLO Cc1nn(C)c(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1C#N ZINC000346630033 466119397 /nfs/dbraw/zinc/11/93/97/466119397.db2.gz FNYIRWNJEICWJZ-UHFFFAOYSA-N 1 2 339.447 2.149 20 30 EEEDLO Cc1noc(C)c1CC[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000331648729 466180160 /nfs/dbraw/zinc/18/01/60/466180160.db2.gz KUJFUEAGKXCLER-UHFFFAOYSA-N 1 2 331.445 2.293 20 30 EEEDLO N#CC1(CS(=O)(=O)NCc2cn3ccccc3[nH+]2)CCCCC1 ZINC000331923690 466308539 /nfs/dbraw/zinc/30/85/39/466308539.db2.gz KBXDRIJFOFYAKH-UHFFFAOYSA-N 1 2 332.429 2.228 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCC1 ZINC000347073506 466369347 /nfs/dbraw/zinc/36/93/47/466369347.db2.gz KFMMXCNXTKHZFD-UHFFFAOYSA-N 1 2 328.372 2.122 20 30 EEEDLO N#CC1(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCC1 ZINC000347073506 466369359 /nfs/dbraw/zinc/36/93/59/466369359.db2.gz KFMMXCNXTKHZFD-UHFFFAOYSA-N 1 2 328.372 2.122 20 30 EEEDLO C=C(C)Cn1c(COCC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000338795209 466381859 /nfs/dbraw/zinc/38/18/59/466381859.db2.gz OJADLZYZFOFWIB-UHFFFAOYSA-N 1 2 342.447 2.112 20 30 EEEDLO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000581938736 468500580 /nfs/dbraw/zinc/50/05/80/468500580.db2.gz RHGMUGWZYNHAKO-CQSZACIVSA-N 1 2 348.472 2.297 20 30 EEEDLO C=CCN1CC(=O)N([C@@H](c2[nH+]ccn2C)c2cccc(F)c2)C1=O ZINC000372866118 466622115 /nfs/dbraw/zinc/62/21/15/466622115.db2.gz NUTCZXVDWQYNSI-OAHLLOKOSA-N 1 2 328.347 2.099 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000377288387 467051665 /nfs/dbraw/zinc/05/16/65/467051665.db2.gz PKCVICWCBBNJMR-OAGGEKHMSA-N 1 2 332.448 2.349 20 30 EEEDLO CCO[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000451527364 467259833 /nfs/dbraw/zinc/25/98/33/467259833.db2.gz HGKPVAUQJNDDRZ-YOEHRIQHSA-N 1 2 336.457 2.079 20 30 EEEDLO CCO[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000451527364 467259837 /nfs/dbraw/zinc/25/98/37/467259837.db2.gz HGKPVAUQJNDDRZ-YOEHRIQHSA-N 1 2 336.457 2.079 20 30 EEEDLO Cc1ccc(Br)c(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000414143030 467383322 /nfs/dbraw/zinc/38/33/22/467383322.db2.gz LEPKFGNXZKXHIF-GFCCVEGCSA-N 1 2 327.222 2.343 20 30 EEEDLO Cc1ccc(Br)c(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414143030 467383326 /nfs/dbraw/zinc/38/33/26/467383326.db2.gz LEPKFGNXZKXHIF-GFCCVEGCSA-N 1 2 327.222 2.343 20 30 EEEDLO N#CCC1(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000430158001 467405095 /nfs/dbraw/zinc/40/50/95/467405095.db2.gz SMOHPLOMZRATOK-QGZVFWFLSA-N 1 2 342.443 2.053 20 30 EEEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2cncc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000420620188 467435639 /nfs/dbraw/zinc/43/56/39/467435639.db2.gz ZQDDAOPXMMJIRC-WBVHZDCISA-N 1 2 343.818 2.485 20 30 EEEDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2cncc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000420620188 467435641 /nfs/dbraw/zinc/43/56/41/467435641.db2.gz ZQDDAOPXMMJIRC-WBVHZDCISA-N 1 2 343.818 2.485 20 30 EEEDLO N#CCCN(C(=O)C[N@@H+]1CCc2ncsc2C1)c1ccccc1 ZINC000446077458 467585247 /nfs/dbraw/zinc/58/52/47/467585247.db2.gz JTJHGWQBWFBPJW-UHFFFAOYSA-N 1 2 326.425 2.448 20 30 EEEDLO N#CCCN(C(=O)C[N@H+]1CCc2ncsc2C1)c1ccccc1 ZINC000446077458 467585248 /nfs/dbraw/zinc/58/52/48/467585248.db2.gz JTJHGWQBWFBPJW-UHFFFAOYSA-N 1 2 326.425 2.448 20 30 EEEDLO C[C@H]1C[N@H+](CCNc2c(C#N)cnc3ccc(Cl)cc32)CCO1 ZINC000525706521 467643907 /nfs/dbraw/zinc/64/39/07/467643907.db2.gz ADCPYZPMZAXFDW-LBPRGKRZSA-N 1 2 330.819 2.314 20 30 EEEDLO C[C@H]1C[N@@H+](CCNc2c(C#N)cnc3ccc(Cl)cc32)CCO1 ZINC000525706521 467643908 /nfs/dbraw/zinc/64/39/08/467643908.db2.gz ADCPYZPMZAXFDW-LBPRGKRZSA-N 1 2 330.819 2.314 20 30 EEEDLO C[C@H](C#N)OCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@](C)(F)C1 ZINC000496819674 467718338 /nfs/dbraw/zinc/71/83/38/467718338.db2.gz MYYVHJADDWOBIS-CZUORRHYSA-N 1 2 329.416 2.196 20 30 EEEDLO C[C@H](C#N)OCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@](C)(F)C1 ZINC000496819674 467718341 /nfs/dbraw/zinc/71/83/41/467718341.db2.gz MYYVHJADDWOBIS-CZUORRHYSA-N 1 2 329.416 2.196 20 30 EEEDLO C=CC[N@H+](Cc1cnns1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000450389628 467841355 /nfs/dbraw/zinc/84/13/55/467841355.db2.gz JPKRBBYGZLDCKT-GFCCVEGCSA-N 1 2 327.417 2.263 20 30 EEEDLO C=CC[N@@H+](Cc1cnns1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000450389628 467841358 /nfs/dbraw/zinc/84/13/58/467841358.db2.gz JPKRBBYGZLDCKT-GFCCVEGCSA-N 1 2 327.417 2.263 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000458504625 467847857 /nfs/dbraw/zinc/84/78/57/467847857.db2.gz ICENRQOZBQEUQO-KRWDZBQOSA-N 1 2 342.443 2.252 20 30 EEEDLO C=CC[C@H](CC)NC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000458744816 467890220 /nfs/dbraw/zinc/89/02/20/467890220.db2.gz WZLJWIXXLASMLA-INIZCTEOSA-N 1 2 335.448 2.478 20 30 EEEDLO CC[C@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)[C@@H](CC)CN1C(C)=O ZINC000472330474 467986129 /nfs/dbraw/zinc/98/61/29/467986129.db2.gz UWQXFTAPUGAXEB-ROUUACIJSA-N 1 2 342.443 2.218 20 30 EEEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)[C@@H](CC)CN1C(C)=O ZINC000472330474 467986132 /nfs/dbraw/zinc/98/61/32/467986132.db2.gz UWQXFTAPUGAXEB-ROUUACIJSA-N 1 2 342.443 2.218 20 30 EEEDLO CC(C)CN1C[C@@H]2C[N@H+](CCOc3ccccc3C#N)CCN2C1=O ZINC000488788929 468105309 /nfs/dbraw/zinc/10/53/09/468105309.db2.gz SYONDKAGQOOGGR-KRWDZBQOSA-N 1 2 342.443 2.015 20 30 EEEDLO CC(C)CN1C[C@@H]2C[N@@H+](CCOc3ccccc3C#N)CCN2C1=O ZINC000488788929 468105313 /nfs/dbraw/zinc/10/53/13/468105313.db2.gz SYONDKAGQOOGGR-KRWDZBQOSA-N 1 2 342.443 2.015 20 30 EEEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2c(n1)onc2C(C)C ZINC000565659861 468135569 /nfs/dbraw/zinc/13/55/69/468135569.db2.gz GJFIIBYPPUIJNJ-KRWDZBQOSA-N 1 2 329.404 2.228 20 30 EEEDLO C[NH+](C)[C@H](CNC(=O)c1cccc(C#N)n1)c1c(F)cccc1F ZINC000589421248 468149520 /nfs/dbraw/zinc/14/95/20/468149520.db2.gz DLGWYBVOQCHXAJ-OAHLLOKOSA-N 1 2 330.338 2.264 20 30 EEEDLO CCc1nc2ccc(Cl)cn2c1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000566308908 468149877 /nfs/dbraw/zinc/14/98/77/468149877.db2.gz LDHCLWGZSXUANS-INIZCTEOSA-N 1 2 333.823 2.124 20 30 EEEDLO CC(=O)N(Cc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1)C(C)C ZINC000576817046 468173266 /nfs/dbraw/zinc/17/32/66/468173266.db2.gz WGFQDIMLFHWZAQ-LJQANCHMSA-N 1 2 346.475 2.062 20 30 EEEDLO CC(=O)N(Cc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1)C(C)C ZINC000576817046 468173274 /nfs/dbraw/zinc/17/32/74/468173274.db2.gz WGFQDIMLFHWZAQ-LJQANCHMSA-N 1 2 346.475 2.062 20 30 EEEDLO Cc1cc(C#N)cnc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000549139612 468174808 /nfs/dbraw/zinc/17/48/08/468174808.db2.gz LHWWTNWOMLSHPH-UHFFFAOYSA-N 1 2 331.379 2.437 20 30 EEEDLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCC(CCC#N)CC2)CC1 ZINC000578072643 468196674 /nfs/dbraw/zinc/19/66/74/468196674.db2.gz JQMVKOLVLYPAEH-UHFFFAOYSA-N 1 2 343.475 2.174 20 30 EEEDLO C#CCN(CC#CC)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000490695686 468236743 /nfs/dbraw/zinc/23/67/43/468236743.db2.gz FHUQXRGLRRNAHK-QGZVFWFLSA-N 1 2 338.386 2.317 20 30 EEEDLO C#CCN(CC)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000490893263 468263426 /nfs/dbraw/zinc/26/34/26/468263426.db2.gz SIDFMNVRBNEZKN-IAGOWNOFSA-N 1 2 349.862 2.376 20 30 EEEDLO C#CCN(CC)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000490893263 468263428 /nfs/dbraw/zinc/26/34/28/468263428.db2.gz SIDFMNVRBNEZKN-IAGOWNOFSA-N 1 2 349.862 2.376 20 30 EEEDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000582847920 468605313 /nfs/dbraw/zinc/60/53/13/468605313.db2.gz CKALSPPWUNUYLJ-PBHICJAKSA-N 1 2 332.404 2.124 20 30 EEEDLO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000600830092 468668249 /nfs/dbraw/zinc/66/82/49/468668249.db2.gz OLWIPIRXMYAOLU-QAPCUYQASA-N 1 2 346.450 2.265 20 30 EEEDLO Cc1cc(Br)cn2c(CN3CC[C@](O)(CC#N)C3)c[nH+]c12 ZINC000592522470 468719143 /nfs/dbraw/zinc/71/91/43/468719143.db2.gz NMEATXGVSBWDKK-OAHLLOKOSA-N 1 2 349.232 2.256 20 30 EEEDLO Cc1cc(N2CCSCC2)ccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000583990069 468781909 /nfs/dbraw/zinc/78/19/09/468781909.db2.gz CAGVNZOIIZQEFU-QGZVFWFLSA-N 1 2 348.516 2.167 20 30 EEEDLO Cc1cc(N2CCSCC2)ccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000583990069 468781913 /nfs/dbraw/zinc/78/19/13/468781913.db2.gz CAGVNZOIIZQEFU-QGZVFWFLSA-N 1 2 348.516 2.167 20 30 EEEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccccc2CC#N)C1 ZINC000601378520 468849068 /nfs/dbraw/zinc/84/90/68/468849068.db2.gz MHGJDTISNJTAQQ-QGZVFWFLSA-N 1 2 341.436 2.218 20 30 EEEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccccc2CC#N)C1 ZINC000601378520 468849070 /nfs/dbraw/zinc/84/90/70/468849070.db2.gz MHGJDTISNJTAQQ-QGZVFWFLSA-N 1 2 341.436 2.218 20 30 EEEDLO COc1ccc(-c2ncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)s2)cc1 ZINC000572291675 468912434 /nfs/dbraw/zinc/91/24/34/468912434.db2.gz WSJXICWEPYXNAM-QGZVFWFLSA-N 1 2 344.440 2.392 20 30 EEEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598593017 468925940 /nfs/dbraw/zinc/92/59/40/468925940.db2.gz QBSQHKZEJWQMTG-DLBZAZTESA-N 1 2 332.444 2.393 20 30 EEEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598593017 468925942 /nfs/dbraw/zinc/92/59/42/468925942.db2.gz QBSQHKZEJWQMTG-DLBZAZTESA-N 1 2 332.444 2.393 20 30 EEEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000602708302 469025745 /nfs/dbraw/zinc/02/57/45/469025745.db2.gz ZKFHWLLDAWWQRN-LLVKDONJSA-N 1 2 327.837 2.113 20 30 EEEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000602708302 469025751 /nfs/dbraw/zinc/02/57/51/469025751.db2.gz ZKFHWLLDAWWQRN-LLVKDONJSA-N 1 2 327.837 2.113 20 30 EEEDLO Cc1oc(C#N)cc1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601856648 469061745 /nfs/dbraw/zinc/06/17/45/469061745.db2.gz WWCRQPRREARTBH-UHFFFAOYSA-N 1 2 342.424 2.338 20 30 EEEDLO N#CCC1(C[NH+]2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000602769281 469061938 /nfs/dbraw/zinc/06/19/38/469061938.db2.gz UGHOYYJOCLCUNP-UHFFFAOYSA-N 1 2 330.407 2.076 20 30 EEEDLO CC(C)CNC(=O)c1cccc(C[NH+]2CCN(CCC#N)CC2)c1 ZINC000611174172 469182157 /nfs/dbraw/zinc/18/21/57/469182157.db2.gz FHVWTQMHSJZDNM-UHFFFAOYSA-N 1 2 328.460 2.104 20 30 EEEDLO CC1CCC(N(C(=O)C[NH+]2CCN(CCC#N)CC2)C2CC2)CC1 ZINC000611175949 469183644 /nfs/dbraw/zinc/18/36/44/469183644.db2.gz QAYKKLHQHIWJLM-UHFFFAOYSA-N 1 2 332.492 2.087 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000599336407 469217208 /nfs/dbraw/zinc/21/72/08/469217208.db2.gz JSEKROAXHSELNX-ROUUACIJSA-N 1 2 332.492 2.086 20 30 EEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000603070714 469250985 /nfs/dbraw/zinc/25/09/85/469250985.db2.gz RYZXIQVUXVHSEB-LRDDRELGSA-N 1 2 332.379 2.024 20 30 EEEDLO N#CCCC1CCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000564905321 469262159 /nfs/dbraw/zinc/26/21/59/469262159.db2.gz QTNWUFFSWKCLGI-MRXNPFEDSA-N 1 2 329.448 2.205 20 30 EEEDLO N#CCCC1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000564905321 469262167 /nfs/dbraw/zinc/26/21/67/469262167.db2.gz QTNWUFFSWKCLGI-MRXNPFEDSA-N 1 2 329.448 2.205 20 30 EEEDLO C=C(C)CCNC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000574158501 469269239 /nfs/dbraw/zinc/26/92/39/469269239.db2.gz UEABMVPQPOXUNQ-UHFFFAOYSA-N 1 2 345.443 2.251 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@](F)(C#N)C1)c1cccc(F)c1 ZINC000615578052 469272392 /nfs/dbraw/zinc/27/23/92/469272392.db2.gz UGFYJZHPXKCDLG-PBHICJAKSA-N 1 2 345.353 2.296 20 30 EEEDLO C[N@H+](CCO)Cc1cn(Cc2ccc(-c3ccccc3C#N)cc2)nn1 ZINC000603190966 469304261 /nfs/dbraw/zinc/30/42/61/469304261.db2.gz OTHXLTRIIJCBFJ-UHFFFAOYSA-N 1 2 347.422 2.289 20 30 EEEDLO C[N@@H+](CCO)Cc1cn(Cc2ccc(-c3ccccc3C#N)cc2)nn1 ZINC000603190966 469304264 /nfs/dbraw/zinc/30/42/64/469304264.db2.gz OTHXLTRIIJCBFJ-UHFFFAOYSA-N 1 2 347.422 2.289 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)n1 ZINC000602454328 469323587 /nfs/dbraw/zinc/32/35/87/469323587.db2.gz LYCWYAOTCXVHCB-KRWDZBQOSA-N 1 2 339.374 2.488 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)n1 ZINC000602454328 469323589 /nfs/dbraw/zinc/32/35/89/469323589.db2.gz LYCWYAOTCXVHCB-KRWDZBQOSA-N 1 2 339.374 2.488 20 30 EEEDLO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612155150 469407636 /nfs/dbraw/zinc/40/76/36/469407636.db2.gz QPUXHNHQPAOZTJ-KDOFPFPSSA-N 1 2 328.416 2.027 20 30 EEEDLO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612155150 469407640 /nfs/dbraw/zinc/40/76/40/469407640.db2.gz QPUXHNHQPAOZTJ-KDOFPFPSSA-N 1 2 328.416 2.027 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000612174662 469411171 /nfs/dbraw/zinc/41/11/71/469411171.db2.gz WRXZWSKGEXOYKH-ZWKOTPCHSA-N 1 2 339.370 2.377 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000612174662 469411178 /nfs/dbraw/zinc/41/11/78/469411178.db2.gz WRXZWSKGEXOYKH-ZWKOTPCHSA-N 1 2 339.370 2.377 20 30 EEEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000603832344 469434446 /nfs/dbraw/zinc/43/44/46/469434446.db2.gz FMYOLFRICRQHJC-UHFFFAOYSA-N 1 2 344.337 2.125 20 30 EEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000619367363 469591193 /nfs/dbraw/zinc/59/11/93/469591193.db2.gz YLIMRECFKLSTSY-QZTJIDSGSA-N 1 2 333.395 2.301 20 30 EEEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@]1(C#N)CCSC1 ZINC000619433045 469603721 /nfs/dbraw/zinc/60/37/21/469603721.db2.gz XDNDZYFUOFZVPX-OAHLLOKOSA-N 1 2 336.367 2.138 20 30 EEEDLO N#CCc1cccc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000619490308 469624024 /nfs/dbraw/zinc/62/40/24/469624024.db2.gz PSFXCGHRZDDLKX-AWEZNQCLSA-N 1 2 330.413 2.044 20 30 EEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(Oc2c(OC)cccc2OC)CC1 ZINC000619716203 469668681 /nfs/dbraw/zinc/66/86/81/469668681.db2.gz AONZVANWIFVZHH-AWEZNQCLSA-N 1 2 335.400 2.275 20 30 EEEDLO N#Cc1ccc(CNc2[nH+]cnc(-n3cccn3)c2N)cc1Cl ZINC000619747375 469675248 /nfs/dbraw/zinc/67/52/48/469675248.db2.gz XUVGDKFPMVTNPZ-UHFFFAOYSA-N 1 2 325.763 2.382 20 30 EEEDLO N#Cc1ccc(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000619760237 469677149 /nfs/dbraw/zinc/67/71/49/469677149.db2.gz FXCVVRHWCZMSEU-ZDUSSCGKSA-N 1 2 329.791 2.222 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617728856 469777311 /nfs/dbraw/zinc/77/73/11/469777311.db2.gz ZBXJNIHRHDMVOC-CABCVRRESA-N 1 2 348.443 2.099 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617728856 469777315 /nfs/dbraw/zinc/77/73/15/469777315.db2.gz ZBXJNIHRHDMVOC-CABCVRRESA-N 1 2 348.443 2.099 20 30 EEEDLO C[C@H](NC(=O)c1cc2ccccc2n1CC#N)[C@H](C)[NH+]1CCOCC1 ZINC000609191902 469900392 /nfs/dbraw/zinc/90/03/92/469900392.db2.gz MKXPPLJFKRNTJK-GJZGRUSLSA-N 1 2 340.427 2.004 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC000609313242 469916721 /nfs/dbraw/zinc/91/67/21/469916721.db2.gz OYUYSHALSNUDMW-AWEZNQCLSA-N 1 2 328.412 2.378 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC000609313242 469916725 /nfs/dbraw/zinc/91/67/25/469916725.db2.gz OYUYSHALSNUDMW-AWEZNQCLSA-N 1 2 328.412 2.378 20 30 EEEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000621270214 470022156 /nfs/dbraw/zinc/02/21/56/470022156.db2.gz TUEPJTUJORIQTJ-DLBZAZTESA-N 1 2 330.428 2.261 20 30 EEEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000621270214 470022160 /nfs/dbraw/zinc/02/21/60/470022160.db2.gz TUEPJTUJORIQTJ-DLBZAZTESA-N 1 2 330.428 2.261 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000649128593 470474411 /nfs/dbraw/zinc/47/44/11/470474411.db2.gz GAFBQGAPTRZEKM-OAGGEKHMSA-N 1 2 347.459 2.422 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000649128593 470474414 /nfs/dbraw/zinc/47/44/14/470474414.db2.gz GAFBQGAPTRZEKM-OAGGEKHMSA-N 1 2 347.459 2.422 20 30 EEEDLO C=CCn1cc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)nn1 ZINC000648274425 471146974 /nfs/dbraw/zinc/14/69/74/471146974.db2.gz BJORFNBHCQTLJV-AWEZNQCLSA-N 1 2 341.415 2.110 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1CC[C@@H]2CCC[C@H]21 ZINC000669011064 471348381 /nfs/dbraw/zinc/34/83/81/471348381.db2.gz IOYXSJLHMZVZMW-JONQDZQNSA-N 1 2 331.464 2.235 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1CC[C@@H]2CCC[C@H]21 ZINC000669011064 471348387 /nfs/dbraw/zinc/34/83/87/471348387.db2.gz IOYXSJLHMZVZMW-JONQDZQNSA-N 1 2 331.464 2.235 20 30 EEEDLO CC(=O)c1cc2c(cc1OC[C@@H](O)C[N@H+](C)CCC#N)CCCC2 ZINC000666142314 472322285 /nfs/dbraw/zinc/32/22/85/472322285.db2.gz DLNYWAVTBIGWRD-KRWDZBQOSA-N 1 2 330.428 2.353 20 30 EEEDLO CC(=O)c1cc2c(cc1OC[C@@H](O)C[N@@H+](C)CCC#N)CCCC2 ZINC000666142314 472322286 /nfs/dbraw/zinc/32/22/86/472322286.db2.gz DLNYWAVTBIGWRD-KRWDZBQOSA-N 1 2 330.428 2.353 20 30 EEEDLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CCN(CC#N)CC1 ZINC000092936409 534800943 /nfs/dbraw/zinc/80/09/43/534800943.db2.gz CLXCVHYWIGTGKY-UHFFFAOYSA-N 1 2 345.397 2.409 20 30 EEEDLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000730806066 577058226 /nfs/dbraw/zinc/05/82/26/577058226.db2.gz MIMCLVPEUBFMMJ-QGZVFWFLSA-N 1 2 340.471 2.471 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000732064223 577145379 /nfs/dbraw/zinc/14/53/79/577145379.db2.gz CREJJIXZMRFEIX-DLBZAZTESA-N 1 2 338.411 2.451 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000732064223 577145381 /nfs/dbraw/zinc/14/53/81/577145381.db2.gz CREJJIXZMRFEIX-DLBZAZTESA-N 1 2 338.411 2.451 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000732064223 577145382 /nfs/dbraw/zinc/14/53/82/577145382.db2.gz CREJJIXZMRFEIX-DLBZAZTESA-N 1 2 338.411 2.451 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000732064223 577145384 /nfs/dbraw/zinc/14/53/84/577145384.db2.gz CREJJIXZMRFEIX-DLBZAZTESA-N 1 2 338.411 2.451 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000732060609 577146065 /nfs/dbraw/zinc/14/60/65/577146065.db2.gz ZTSYMVHHJPLUSL-INIZCTEOSA-N 1 2 345.830 2.268 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000732060609 577146068 /nfs/dbraw/zinc/14/60/68/577146068.db2.gz ZTSYMVHHJPLUSL-INIZCTEOSA-N 1 2 345.830 2.268 20 30 EEEDLO C[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732198203 577158332 /nfs/dbraw/zinc/15/83/32/577158332.db2.gz XOYBDPKIECAFFN-ZDUSSCGKSA-N 1 2 329.297 2.292 20 30 EEEDLO C[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732198203 577158333 /nfs/dbraw/zinc/15/83/33/577158333.db2.gz XOYBDPKIECAFFN-ZDUSSCGKSA-N 1 2 329.297 2.292 20 30 EEEDLO C=CC[N@@H+](CN1C(=O)N[C@](CC)(c2ccc(OC)cc2)C1=O)C1CC1 ZINC000771639360 577223128 /nfs/dbraw/zinc/22/31/28/577223128.db2.gz HTLUFXQGHYQENQ-LJQANCHMSA-N 1 2 343.427 2.460 20 30 EEEDLO C=CC[N@H+](CN1C(=O)N[C@](CC)(c2ccc(OC)cc2)C1=O)C1CC1 ZINC000771639360 577223129 /nfs/dbraw/zinc/22/31/29/577223129.db2.gz HTLUFXQGHYQENQ-LJQANCHMSA-N 1 2 343.427 2.460 20 30 EEEDLO C=CCN(CC(=O)OCC)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000773493640 577346561 /nfs/dbraw/zinc/34/65/61/577346561.db2.gz FPZLQCQOXIXHFN-UHFFFAOYSA-N 1 2 329.400 2.313 20 30 EEEDLO CCN(C)c1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000773752443 577362868 /nfs/dbraw/zinc/36/28/68/577362868.db2.gz BKZDBYVNONHXKG-UHFFFAOYSA-N 1 2 330.476 2.191 20 30 EEEDLO CCN(C)c1ccc(C[N@H+](CCC#N)CCN2CCOCC2)cc1 ZINC000773752443 577362870 /nfs/dbraw/zinc/36/28/70/577362870.db2.gz BKZDBYVNONHXKG-UHFFFAOYSA-N 1 2 330.476 2.191 20 30 EEEDLO CCN(C)c1ccc(C[N@@H+](CCC#N)CCN2CCOCC2)cc1 ZINC000773752443 577362872 /nfs/dbraw/zinc/36/28/72/577362872.db2.gz BKZDBYVNONHXKG-UHFFFAOYSA-N 1 2 330.476 2.191 20 30 EEEDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCNc1ncccc1C#N ZINC000766402500 577518697 /nfs/dbraw/zinc/51/86/97/577518697.db2.gz CYLIZDCDTVOECG-UHFFFAOYSA-N 1 2 336.403 2.372 20 30 EEEDLO Cc1cccc(OCC[N@@H+](C)Cn2cc3c(c(C#N)c2=O)CCC3)c1 ZINC000766620722 577522288 /nfs/dbraw/zinc/52/22/88/577522288.db2.gz WSQJKSVDWDWVOY-UHFFFAOYSA-N 1 2 337.423 2.485 20 30 EEEDLO Cc1cccc(OCC[N@H+](C)Cn2cc3c(c(C#N)c2=O)CCC3)c1 ZINC000766620722 577522289 /nfs/dbraw/zinc/52/22/89/577522289.db2.gz WSQJKSVDWDWVOY-UHFFFAOYSA-N 1 2 337.423 2.485 20 30 EEEDLO C[C@H]1C[N@@H+](C2CC2)CC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[nH]1 ZINC000769806733 577584910 /nfs/dbraw/zinc/58/49/10/577584910.db2.gz BUSJIIKKVUJOIV-JTQLQIEISA-N 1 2 343.435 2.169 20 30 EEEDLO C[C@H]1C[N@H+](C2CC2)CC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[nH]1 ZINC000769806733 577584911 /nfs/dbraw/zinc/58/49/11/577584911.db2.gz BUSJIIKKVUJOIV-JTQLQIEISA-N 1 2 343.435 2.169 20 30 EEEDLO C[C@@H](C#N)Oc1ccc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000761837366 577689870 /nfs/dbraw/zinc/68/98/70/577689870.db2.gz DODMWUMCMXBRKL-ZDUSSCGKSA-N 1 2 333.355 2.399 20 30 EEEDLO COc1nc(Cl)c(C=NNc2ccc(-n3cc[nH+]c3)nn2)s1 ZINC000761854861 577690147 /nfs/dbraw/zinc/69/01/47/577690147.db2.gz IJOYWACWFLKCMO-UHFFFAOYSA-N 1 2 335.780 2.227 20 30 EEEDLO C#C[C@@H](CC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000753264921 577784154 /nfs/dbraw/zinc/78/41/54/577784154.db2.gz NJHUMJMWBNNHCZ-XJKSGUPXSA-N 1 2 326.400 2.229 20 30 EEEDLO COc1ccc(C2N=NC(=S)N2N=Cc2[nH+]c[nH]c2C)cc1OC ZINC000755544693 577826617 /nfs/dbraw/zinc/82/66/17/577826617.db2.gz YMBQSKYRCYRXBU-UHFFFAOYSA-N 1 2 344.400 2.165 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc3c4c(cccc42)CC3)CC1 ZINC000749990083 577985304 /nfs/dbraw/zinc/98/53/04/577985304.db2.gz LUTIBYPIHOVJIE-UHFFFAOYSA-N 1 2 333.435 2.128 20 30 EEEDLO Cc1nc(C[NH+]2CC([C@H](C)NC(=O)c3c[nH]c(C#N)c3)C2)sc1C ZINC000969526862 675089323 /nfs/dbraw/zinc/08/93/23/675089323.db2.gz QHVHNFOJRAFMLY-NSHDSACASA-N 1 2 343.456 2.210 20 30 EEEDLO C=C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2nc(CC)no2)C1)c1ccccc1 ZINC000970776820 676142532 /nfs/dbraw/zinc/14/25/32/676142532.db2.gz JUZOKVRIGPOTOP-HZPDHXFCSA-N 1 2 340.427 2.292 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nc([C@H](C)OC)no3)C2)CC1 ZINC000969830195 675235606 /nfs/dbraw/zinc/23/56/06/675235606.db2.gz FZJCXHVWMMVDSI-DZGCQCFKSA-N 1 2 348.447 2.214 20 30 EEEDLO C[C@H](NC(=O)c1[nH]nc2c1CCC2)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000970034619 675403076 /nfs/dbraw/zinc/40/30/76/675403076.db2.gz IDTSLJJAHYOLJG-ZDUSSCGKSA-N 1 2 349.438 2.020 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnc3cc(OC)ccn32)C1 ZINC000970154039 675588983 /nfs/dbraw/zinc/58/89/83/675588983.db2.gz GHBBCZPJVHOFKT-LBPRGKRZSA-N 1 2 348.834 2.146 20 30 EEEDLO CCc1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(C#N)s3)C2)n[nH]1 ZINC000971115996 676386100 /nfs/dbraw/zinc/38/61/00/676386100.db2.gz GIPKSECCVOXGLD-ZDUSSCGKSA-N 1 2 343.456 2.252 20 30 EEEDLO CCc1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(C#N)s3)C2)n[nH]1 ZINC000971115996 676386101 /nfs/dbraw/zinc/38/61/01/676386101.db2.gz GIPKSECCVOXGLD-ZDUSSCGKSA-N 1 2 343.456 2.252 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)C2=COCCC2)C1 ZINC000971195951 676438955 /nfs/dbraw/zinc/43/89/55/676438955.db2.gz WAAPWFKSOUYAEB-CYBMUJFWSA-N 1 2 329.238 2.122 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)C2=COCCC2)C1 ZINC000971195951 676438957 /nfs/dbraw/zinc/43/89/57/676438957.db2.gz WAAPWFKSOUYAEB-CYBMUJFWSA-N 1 2 329.238 2.122 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)n2cccc2)C1 ZINC000971361746 676500450 /nfs/dbraw/zinc/50/04/50/676500450.db2.gz ROBOXAOPAPPWQN-ZIAGYGMSSA-N 1 2 340.265 2.490 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)n2cccc2)C1 ZINC000971361746 676500451 /nfs/dbraw/zinc/50/04/51/676500451.db2.gz ROBOXAOPAPPWQN-ZIAGYGMSSA-N 1 2 340.265 2.490 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC(F)(F)C3)C2)C1 ZINC000972404426 678692791 /nfs/dbraw/zinc/69/27/91/678692791.db2.gz DBZXLPJVPLEOQX-GOEBONIOSA-N 1 2 328.403 2.301 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC(F)(F)C3)C2)C1 ZINC000972404426 678692792 /nfs/dbraw/zinc/69/27/92/678692792.db2.gz DBZXLPJVPLEOQX-GOEBONIOSA-N 1 2 328.403 2.301 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCC3(F)F)C2)C1 ZINC000972480529 678848149 /nfs/dbraw/zinc/84/81/49/678848149.db2.gz NZSMWKSYBAWYMQ-WBVHZDCISA-N 1 2 340.414 2.139 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCC3(F)F)C2)C1 ZINC000972480529 678848154 /nfs/dbraw/zinc/84/81/54/678848154.db2.gz NZSMWKSYBAWYMQ-WBVHZDCISA-N 1 2 340.414 2.139 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C[C@@H]1C ZINC001067440271 678897115 /nfs/dbraw/zinc/89/71/15/678897115.db2.gz KFPYNTBXRHTYSY-HOCLYGCPSA-N 1 2 339.443 2.417 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@H+](C[C@@H](F)CC)CCO3)cc1 ZINC000972493411 678911176 /nfs/dbraw/zinc/91/11/76/678911176.db2.gz YGZLOSUMOGAXSH-AZUAARDMSA-N 1 2 344.430 2.333 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@@H+](C[C@@H](F)CC)CCO3)cc1 ZINC000972493411 678911179 /nfs/dbraw/zinc/91/11/79/678911179.db2.gz YGZLOSUMOGAXSH-AZUAARDMSA-N 1 2 344.430 2.333 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3cccc(C)c3)C2)C1 ZINC000972571470 679328528 /nfs/dbraw/zinc/32/85/28/679328528.db2.gz DCRCNFXBCXDMDN-FXAWDEMLSA-N 1 2 326.440 2.035 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3cccc(C)c3)C2)C1 ZINC000972571470 679328530 /nfs/dbraw/zinc/32/85/30/679328530.db2.gz DCRCNFXBCXDMDN-FXAWDEMLSA-N 1 2 326.440 2.035 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(OCC)c3)C2)C1 ZINC000972573973 679333916 /nfs/dbraw/zinc/33/39/16/679333916.db2.gz VDFJONUOWDZLDA-IBGZPJMESA-N 1 2 330.428 2.188 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(OCC)c3)C2)C1 ZINC000972573973 679333917 /nfs/dbraw/zinc/33/39/17/679333917.db2.gz VDFJONUOWDZLDA-IBGZPJMESA-N 1 2 330.428 2.188 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc(C(C)C)nc3C)C2)C1 ZINC000972586031 679363343 /nfs/dbraw/zinc/36/33/43/679363343.db2.gz UGVFOEOEDPTKNP-LJQANCHMSA-N 1 2 344.459 2.011 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc(C(C)C)nc3C)C2)C1 ZINC000972586031 679363346 /nfs/dbraw/zinc/36/33/46/679363346.db2.gz UGVFOEOEDPTKNP-LJQANCHMSA-N 1 2 344.459 2.011 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC000972586407 679364232 /nfs/dbraw/zinc/36/42/32/679364232.db2.gz XXXJBFDXBJAVME-DYXWJJEUSA-N 1 2 338.451 2.117 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC000972586407 679364233 /nfs/dbraw/zinc/36/42/33/679364233.db2.gz XXXJBFDXBJAVME-DYXWJJEUSA-N 1 2 338.451 2.117 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4ccccc4c3)C2)C1 ZINC000972655810 679518417 /nfs/dbraw/zinc/51/84/17/679518417.db2.gz PUVSMVFVUMRIDX-NRFANRHFSA-N 1 2 334.419 2.390 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4ccccc4c3)C2)C1 ZINC000972655810 679518422 /nfs/dbraw/zinc/51/84/22/679518422.db2.gz PUVSMVFVUMRIDX-NRFANRHFSA-N 1 2 334.419 2.390 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccc(OC)cc3)C2)C1 ZINC000972667611 679553074 /nfs/dbraw/zinc/55/30/74/679553074.db2.gz PCGZKZVDGLMYEP-FQEVSTJZSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccc(OC)cc3)C2)C1 ZINC000972667611 679553076 /nfs/dbraw/zinc/55/30/76/679553076.db2.gz PCGZKZVDGLMYEP-FQEVSTJZSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](OC)c3ccc(F)cc3)C2)C1 ZINC000972692764 679615604 /nfs/dbraw/zinc/61/56/04/679615604.db2.gz SCJYYJASIPRDGU-PKOBYXMFSA-N 1 2 348.418 2.003 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](OC)c3ccc(F)cc3)C2)C1 ZINC000972692764 679615605 /nfs/dbraw/zinc/61/56/05/679615605.db2.gz SCJYYJASIPRDGU-PKOBYXMFSA-N 1 2 348.418 2.003 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)C[C@H]2CCCO2)C(C)(C)C1 ZINC000972823095 679808880 /nfs/dbraw/zinc/80/88/80/679808880.db2.gz GALGZYSMKQHSFB-OLZOCXBDSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)C[C@H]2CCCO2)C(C)(C)C1 ZINC000972823095 679808881 /nfs/dbraw/zinc/80/88/81/679808881.db2.gz GALGZYSMKQHSFB-OLZOCXBDSA-N 1 2 345.281 2.291 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2cnns2)cc1 ZINC001024348089 679879949 /nfs/dbraw/zinc/87/99/49/679879949.db2.gz GTFZRWNYCAVGMH-HNNXBMFYSA-N 1 2 341.440 2.194 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2cnns2)cc1 ZINC001024348089 679879950 /nfs/dbraw/zinc/87/99/50/679879950.db2.gz GTFZRWNYCAVGMH-HNNXBMFYSA-N 1 2 341.440 2.194 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)cnn1 ZINC001024412490 679905481 /nfs/dbraw/zinc/90/54/81/679905481.db2.gz HWXAPCCCVSUBQP-IBGZPJMESA-N 1 2 349.438 2.441 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)cnn1 ZINC001024412490 679905483 /nfs/dbraw/zinc/90/54/83/679905483.db2.gz HWXAPCCCVSUBQP-IBGZPJMESA-N 1 2 349.438 2.441 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1cscn1 ZINC001006899366 679976378 /nfs/dbraw/zinc/97/63/78/679976378.db2.gz SDRMBDZEADOZNM-MRXNPFEDSA-N 1 2 325.437 2.389 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1cscn1 ZINC001006899366 679976382 /nfs/dbraw/zinc/97/63/82/679976382.db2.gz SDRMBDZEADOZNM-MRXNPFEDSA-N 1 2 325.437 2.389 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCn2nccc21 ZINC001024515489 680018575 /nfs/dbraw/zinc/01/85/75/680018575.db2.gz TXVLGNCRFJGZST-LSDHHAIUSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCn2nccc21 ZINC001024515489 680018579 /nfs/dbraw/zinc/01/85/79/680018579.db2.gz TXVLGNCRFJGZST-LSDHHAIUSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001024519184 680027257 /nfs/dbraw/zinc/02/72/57/680027257.db2.gz QFMLHICHEZLIKD-LBPRGKRZSA-N 1 2 349.822 2.000 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001024519184 680027260 /nfs/dbraw/zinc/02/72/60/680027260.db2.gz QFMLHICHEZLIKD-LBPRGKRZSA-N 1 2 349.822 2.000 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc2ncnn21 ZINC001024538895 680065508 /nfs/dbraw/zinc/06/55/08/680065508.db2.gz TTWPXFMPXLMFSN-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc2ncnn21 ZINC001024538895 680065516 /nfs/dbraw/zinc/06/55/16/680065516.db2.gz TTWPXFMPXLMFSN-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C[C@]1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)c(F)c3)CC2)CCOC1 ZINC000982825805 681339870 /nfs/dbraw/zinc/33/98/70/681339870.db2.gz LZXQARKNFVUJBL-IBGZPJMESA-N 1 2 345.418 2.158 20 30 EEEDLO C[C@]1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)CCOC1 ZINC000982825805 681339872 /nfs/dbraw/zinc/33/98/72/681339872.db2.gz LZXQARKNFVUJBL-IBGZPJMESA-N 1 2 345.418 2.158 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001025464366 682834917 /nfs/dbraw/zinc/83/49/17/682834917.db2.gz IFAOHEKSSWSUMA-STQMWFEESA-N 1 2 336.867 2.481 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001025464366 682834920 /nfs/dbraw/zinc/83/49/20/682834920.db2.gz IFAOHEKSSWSUMA-STQMWFEESA-N 1 2 336.867 2.481 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C(C)(C)C1 ZINC000974857896 685625653 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C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2nc(C)sc2C)C1 ZINC001033432884 1194552765 /nfs/dbraw/zinc/55/27/65/1194552765.db2.gz RVVNEEKVCPHVAS-INMHGKMJSA-N 1 2 349.500 2.384 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001033432884 1194552772 /nfs/dbraw/zinc/55/27/72/1194552772.db2.gz RVVNEEKVCPHVAS-INMHGKMJSA-N 1 2 349.500 2.384 20 30 EEEDLO CN(C(=O)c1nccs1)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033521544 1194688544 /nfs/dbraw/zinc/68/85/44/1194688544.db2.gz MCWSLDJZXWTJFY-MRXNPFEDSA-N 1 2 325.437 2.341 20 30 EEEDLO CN(C(=O)c1nccs1)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033521544 1194688546 /nfs/dbraw/zinc/68/85/46/1194688546.db2.gz MCWSLDJZXWTJFY-MRXNPFEDSA-N 1 2 325.437 2.341 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2n[nH]c3c2C[C@@H](C)CC3)C1 ZINC001033538907 1194709068 /nfs/dbraw/zinc/70/90/68/1194709068.db2.gz XIMFDLKOXHYZIC-AAEUAGOBSA-N 1 2 336.867 2.433 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]c3c2C[C@@H](C)CC3)C1 ZINC001033538907 1194709070 /nfs/dbraw/zinc/70/90/70/1194709070.db2.gz XIMFDLKOXHYZIC-AAEUAGOBSA-N 1 2 336.867 2.433 20 30 EEEDLO CCN(C(=O)c1ccn[nH]1)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033765631 1195230460 /nfs/dbraw/zinc/23/04/60/1195230460.db2.gz SHLQXGNHQBQLQH-OAHLLOKOSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1ccn[nH]1)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033765631 1195230462 /nfs/dbraw/zinc/23/04/62/1195230462.db2.gz SHLQXGNHQBQLQH-OAHLLOKOSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001033800948 1195272807 /nfs/dbraw/zinc/27/28/07/1195272807.db2.gz FOHQDVCQCHDGJM-HIFRSBDPSA-N 1 2 341.415 2.480 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001033800948 1195272809 /nfs/dbraw/zinc/27/28/09/1195272809.db2.gz FOHQDVCQCHDGJM-HIFRSBDPSA-N 1 2 341.415 2.480 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnc(Cl)n2C)C1 ZINC001033901962 1195453632 /nfs/dbraw/zinc/45/36/32/1195453632.db2.gz UUEZNSYSSZYLMD-NSHDSACASA-N 1 2 331.247 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnc(Cl)n2C)C1 ZINC001033901962 1195453637 /nfs/dbraw/zinc/45/36/37/1195453637.db2.gz UUEZNSYSSZYLMD-NSHDSACASA-N 1 2 331.247 2.362 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2c(CC)nn(C)c2CC)C1 ZINC001014756459 1224295767 /nfs/dbraw/zinc/29/57/67/1224295767.db2.gz JDXVNPHQWQJQHO-CYBMUJFWSA-N 1 2 338.883 2.030 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2c(CC)nn(C)c2CC)C1 ZINC001014756459 1224295778 /nfs/dbraw/zinc/29/57/78/1224295778.db2.gz JDXVNPHQWQJQHO-CYBMUJFWSA-N 1 2 338.883 2.030 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2c(Cl)cnn2C)C1 ZINC001034208261 1195946921 /nfs/dbraw/zinc/94/69/21/1195946921.db2.gz SOLIWPAFFYJQQJ-LLVKDONJSA-N 1 2 331.247 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2c(Cl)cnn2C)C1 ZINC001034208261 1195946924 /nfs/dbraw/zinc/94/69/24/1195946924.db2.gz SOLIWPAFFYJQQJ-LLVKDONJSA-N 1 2 331.247 2.410 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCCC[N@@H+](Cc2nccn2C)C1 ZINC001034246821 1195979272 /nfs/dbraw/zinc/97/92/72/1195979272.db2.gz GVSZNTVBZQFVAS-MRXNPFEDSA-N 1 2 341.459 2.192 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCCC[N@H+](Cc2nccn2C)C1 ZINC001034246821 1195979274 /nfs/dbraw/zinc/97/92/74/1195979274.db2.gz GVSZNTVBZQFVAS-MRXNPFEDSA-N 1 2 341.459 2.192 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001034236321 1195985718 /nfs/dbraw/zinc/98/57/18/1195985718.db2.gz ILFKLELTTZKFNM-ZDUSSCGKSA-N 1 2 339.871 2.370 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001034236321 1195985720 /nfs/dbraw/zinc/98/57/20/1195985720.db2.gz ILFKLELTTZKFNM-ZDUSSCGKSA-N 1 2 339.871 2.370 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cccc(C(N)=O)c2)C1 ZINC001034272474 1196026485 /nfs/dbraw/zinc/02/64/85/1196026485.db2.gz LASDLDXKAHVRAI-HNNXBMFYSA-N 1 2 335.835 2.122 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C(N)=O)c2)C1 ZINC001034272474 1196026487 /nfs/dbraw/zinc/02/64/87/1196026487.db2.gz LASDLDXKAHVRAI-HNNXBMFYSA-N 1 2 335.835 2.122 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+]([C@H](C)c3ncccn3)C2)nc1 ZINC001034498707 1196289809 /nfs/dbraw/zinc/28/98/09/1196289809.db2.gz NHUNLILVKBRYFY-WBVHZDCISA-N 1 2 349.438 2.198 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+]([C@H](C)c3ncccn3)C2)nc1 ZINC001034498707 1196289813 /nfs/dbraw/zinc/28/98/13/1196289813.db2.gz NHUNLILVKBRYFY-WBVHZDCISA-N 1 2 349.438 2.198 20 30 EEEDLO Cc1nc(NC[C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)ccc1C#N ZINC001108137367 1196503562 /nfs/dbraw/zinc/50/35/62/1196503562.db2.gz RLQZXPBJCNKFJQ-CHWSQXEVSA-N 1 2 326.404 2.026 20 30 EEEDLO Cc1nsc(NC[C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)c1C#N ZINC001108137073 1196512190 /nfs/dbraw/zinc/51/21/90/1196512190.db2.gz KQFJSFMTZOXUAU-GHMZBOCLSA-N 1 2 332.433 2.088 20 30 EEEDLO N#Cc1cccnc1N1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001061773548 1196524633 /nfs/dbraw/zinc/52/46/33/1196524633.db2.gz FPRGJMRMBNYCJH-ZDUSSCGKSA-N 1 2 346.394 2.086 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(c3cccnc3)CCCC2)C1 ZINC001108163476 1196773388 /nfs/dbraw/zinc/77/33/88/1196773388.db2.gz JYCVFJGECJTFMO-LJQANCHMSA-N 1 2 343.471 2.287 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2(c3cccnc3)CCCC2)C1 ZINC001108163476 1196773393 /nfs/dbraw/zinc/77/33/93/1196773393.db2.gz JYCVFJGECJTFMO-LJQANCHMSA-N 1 2 343.471 2.287 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(-n3cccc3)c2)C1 ZINC001014838575 1224424669 /nfs/dbraw/zinc/42/46/69/1224424669.db2.gz MEMUEZCXBFAVIG-OAHLLOKOSA-N 1 2 330.819 2.429 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccnc(-n3cccc3)c2)C1 ZINC001014838575 1224424672 /nfs/dbraw/zinc/42/46/72/1224424672.db2.gz MEMUEZCXBFAVIG-OAHLLOKOSA-N 1 2 330.819 2.429 20 30 EEEDLO C#CCN1C[C@@]2(F)C[N@@H+](Cc3ccccc3C3CC3)C[C@@]2(F)C1=O ZINC001273239461 1197646351 /nfs/dbraw/zinc/64/63/51/1197646351.db2.gz LETQKFYNRJVBPT-RBUKOAKNSA-N 1 2 330.378 2.272 20 30 EEEDLO C#CCN1C[C@@]2(F)C[N@H+](Cc3ccccc3C3CC3)C[C@@]2(F)C1=O ZINC001273239461 1197646353 /nfs/dbraw/zinc/64/63/53/1197646353.db2.gz LETQKFYNRJVBPT-RBUKOAKNSA-N 1 2 330.378 2.272 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1O ZINC001090520741 1197817897 /nfs/dbraw/zinc/81/78/97/1197817897.db2.gz QIZLJZVUPIRYKT-HUUCEWRRSA-N 1 2 346.475 2.176 20 30 EEEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000871759960 1197879559 /nfs/dbraw/zinc/87/95/59/1197879559.db2.gz AVTICQIQVAOQIP-HNNXBMFYSA-N 1 2 347.463 2.347 20 30 EEEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000871759960 1197879566 /nfs/dbraw/zinc/87/95/66/1197879566.db2.gz AVTICQIQVAOQIP-HNNXBMFYSA-N 1 2 347.463 2.347 20 30 EEEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccc3c(c2)OCC(=O)N3)s1 ZINC000794732185 1197903892 /nfs/dbraw/zinc/90/38/92/1197903892.db2.gz GHWQNNHAUMMTRP-WAYWQWQTSA-N 1 2 343.408 2.432 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1CC(=O)NC1CCCC1 ZINC001132033635 1199218731 /nfs/dbraw/zinc/21/87/31/1199218731.db2.gz JBHXDKNHTRSUCI-NVXWUHKLSA-N 1 2 347.503 2.064 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1CC(=O)NC1CCCC1 ZINC001132033635 1199218734 /nfs/dbraw/zinc/21/87/34/1199218734.db2.gz JBHXDKNHTRSUCI-NVXWUHKLSA-N 1 2 347.503 2.064 20 30 EEEDLO CCC(CC)NC(=O)C[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132037709 1199221687 /nfs/dbraw/zinc/22/16/87/1199221687.db2.gz HGCZBWUMMXDWOF-RDJZCZTQSA-N 1 2 349.519 2.310 20 30 EEEDLO CCC(CC)NC(=O)C[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132037709 1199221690 /nfs/dbraw/zinc/22/16/90/1199221690.db2.gz HGCZBWUMMXDWOF-RDJZCZTQSA-N 1 2 349.519 2.310 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCc2nc(C)no2)CC[C@@H]1C ZINC001132209994 1199432922 /nfs/dbraw/zinc/43/29/22/1199432922.db2.gz AAIRZPDUYIGZBJ-AAEUAGOBSA-N 1 2 326.828 2.032 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCc2nc(C)no2)CC[C@@H]1C ZINC001132209994 1199432929 /nfs/dbraw/zinc/43/29/29/1199432929.db2.gz AAIRZPDUYIGZBJ-AAEUAGOBSA-N 1 2 326.828 2.032 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001132234944 1199454104 /nfs/dbraw/zinc/45/41/04/1199454104.db2.gz HLIGEZHIVFDGLQ-NVXWUHKLSA-N 1 2 330.476 2.391 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001132234944 1199454107 /nfs/dbraw/zinc/45/41/07/1199454107.db2.gz HLIGEZHIVFDGLQ-NVXWUHKLSA-N 1 2 330.476 2.391 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(OC)no2)C1 ZINC001132235325 1199465995 /nfs/dbraw/zinc/46/59/95/1199465995.db2.gz LPBQHPFNNPVDQK-GJZGRUSLSA-N 1 2 333.432 2.346 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(OC)no2)C1 ZINC001132235325 1199465997 /nfs/dbraw/zinc/46/59/97/1199465997.db2.gz LPBQHPFNNPVDQK-GJZGRUSLSA-N 1 2 333.432 2.346 20 30 EEEDLO S=C(NC[C@@H]1CCCO1)N[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000814728528 1199688896 /nfs/dbraw/zinc/68/88/96/1199688896.db2.gz ZQRGITAQALHMPW-RYUDHWBXSA-N 1 2 330.457 2.337 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(C)(CC)CC)C1=O ZINC001018290061 1224572349 /nfs/dbraw/zinc/57/23/49/1224572349.db2.gz UZGAFCTYNXBGTM-IXDOHACOSA-N 1 2 347.503 2.275 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(C)(CC)CC)C1=O ZINC001018290061 1224572353 /nfs/dbraw/zinc/57/23/53/1224572353.db2.gz UZGAFCTYNXBGTM-IXDOHACOSA-N 1 2 347.503 2.275 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCCC(=O)NC)CC[C@H]1C ZINC001132533766 1199849012 /nfs/dbraw/zinc/84/90/12/1199849012.db2.gz SAXLWQLRSIEENQ-ZIAGYGMSSA-N 1 2 329.872 2.014 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCCC(=O)NC)CC[C@H]1C ZINC001132533766 1199849013 /nfs/dbraw/zinc/84/90/13/1199849013.db2.gz SAXLWQLRSIEENQ-ZIAGYGMSSA-N 1 2 329.872 2.014 20 30 EEEDLO CCC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)CC(=O)N(C)C ZINC000877986055 1200199574 /nfs/dbraw/zinc/19/95/74/1200199574.db2.gz KEPKFGTYMLAUSK-LJQANCHMSA-N 1 2 329.444 2.227 20 30 EEEDLO CCC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)CC(=O)N(C)C ZINC000877986055 1200199578 /nfs/dbraw/zinc/19/95/78/1200199578.db2.gz KEPKFGTYMLAUSK-LJQANCHMSA-N 1 2 329.444 2.227 20 30 EEEDLO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879584937 1201158311 /nfs/dbraw/zinc/15/83/11/1201158311.db2.gz NJDHCLKKEGYGEM-KRWDZBQOSA-N 1 2 348.450 2.385 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cc1 ZINC000879996470 1201341012 /nfs/dbraw/zinc/34/10/12/1201341012.db2.gz PSHSGKTYFYUWAA-ZWKOTPCHSA-N 1 2 339.370 2.377 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cc1 ZINC000879996470 1201341016 /nfs/dbraw/zinc/34/10/16/1201341016.db2.gz PSHSGKTYFYUWAA-ZWKOTPCHSA-N 1 2 339.370 2.377 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001011888219 1224701921 /nfs/dbraw/zinc/70/19/21/1224701921.db2.gz GWSBCDYFOYNLFX-CQSZACIVSA-N 1 2 344.459 2.103 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@H+](Cc3nc4ccccn4n3)CC2)C1=O ZINC001274030361 1204336317 /nfs/dbraw/zinc/33/63/17/1204336317.db2.gz KDAKWAOSLFZLFA-LJQANCHMSA-N 1 2 339.443 2.120 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@@H+](Cc3nc4ccccn4n3)CC2)C1=O ZINC001274030361 1204336320 /nfs/dbraw/zinc/33/63/20/1204336320.db2.gz KDAKWAOSLFZLFA-LJQANCHMSA-N 1 2 339.443 2.120 20 30 EEEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(N(C)C)nc2F)C1=O ZINC001274067631 1204353375 /nfs/dbraw/zinc/35/33/75/1204353375.db2.gz NWWRGLLKUBTAJZ-IBGZPJMESA-N 1 2 346.450 2.430 20 30 EEEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(N(C)C)nc2F)C1=O ZINC001274067631 1204353377 /nfs/dbraw/zinc/35/33/77/1204353377.db2.gz NWWRGLLKUBTAJZ-IBGZPJMESA-N 1 2 346.450 2.430 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(C#N)cc2Cl)C1=O ZINC001274103841 1204373684 /nfs/dbraw/zinc/37/36/84/1204373684.db2.gz KTUUNTCIJBURJN-GOSISDBHSA-N 1 2 327.815 2.412 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C#N)cc2Cl)C1=O ZINC001274103841 1204373686 /nfs/dbraw/zinc/37/36/86/1204373686.db2.gz KTUUNTCIJBURJN-GOSISDBHSA-N 1 2 327.815 2.412 20 30 EEEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]c1)c1ccc(C#N)cc1 ZINC001274172724 1204435507 /nfs/dbraw/zinc/43/55/07/1204435507.db2.gz MWVZXKGZUOEPHJ-ZMYBRWDISA-N 1 2 349.438 2.260 20 30 EEEDLO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]c1)c1ccc(C#N)cc1 ZINC001274172724 1204435510 /nfs/dbraw/zinc/43/55/10/1204435510.db2.gz MWVZXKGZUOEPHJ-ZMYBRWDISA-N 1 2 349.438 2.260 20 30 EEEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)cnc1OC ZINC001274185295 1204441279 /nfs/dbraw/zinc/44/12/79/1204441279.db2.gz JFXCWAUIZPQVBT-GOSISDBHSA-N 1 2 333.407 2.372 20 30 EEEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)cnc1OC ZINC001274185295 1204441280 /nfs/dbraw/zinc/44/12/80/1204441280.db2.gz JFXCWAUIZPQVBT-GOSISDBHSA-N 1 2 333.407 2.372 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001110832951 1204904777 /nfs/dbraw/zinc/90/47/77/1204904777.db2.gz PWDHIRLIAZLHAQ-KSSFIOAISA-N 1 2 332.448 2.417 20 30 EEEDLO Cc1nnc(C[N@@H+]2CCCC[C@]23CC(=O)N(CCCC#N)C3)s1 ZINC001274523515 1205067576 /nfs/dbraw/zinc/06/75/76/1205067576.db2.gz IBPZAXRDHRNBJZ-MRXNPFEDSA-N 1 2 333.461 2.107 20 30 EEEDLO Cc1nnc(C[N@H+]2CCCC[C@]23CC(=O)N(CCCC#N)C3)s1 ZINC001274523515 1205067578 /nfs/dbraw/zinc/06/75/78/1205067578.db2.gz IBPZAXRDHRNBJZ-MRXNPFEDSA-N 1 2 333.461 2.107 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cn3cc(F)ccc3n2)C1=O ZINC001274555582 1205078462 /nfs/dbraw/zinc/07/84/62/1205078462.db2.gz XCNUONYTWULENZ-SFHVURJKSA-N 1 2 328.391 2.226 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cn3cc(F)ccc3n2)C1=O ZINC001274555582 1205078465 /nfs/dbraw/zinc/07/84/65/1205078465.db2.gz XCNUONYTWULENZ-SFHVURJKSA-N 1 2 328.391 2.226 20 30 EEEDLO N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2cc(C#N)ccc2O)C1=O ZINC001274665691 1205123201 /nfs/dbraw/zinc/12/32/01/1205123201.db2.gz ATZWYBGGVJAWDH-IBGZPJMESA-N 1 2 338.411 2.135 20 30 EEEDLO N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C#N)ccc2O)C1=O ZINC001274665691 1205123203 /nfs/dbraw/zinc/12/32/03/1205123203.db2.gz ATZWYBGGVJAWDH-IBGZPJMESA-N 1 2 338.411 2.135 20 30 EEEDLO COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)cn1 ZINC001015181987 1224873330 /nfs/dbraw/zinc/87/33/30/1224873330.db2.gz KTQUYKLLQHHPSP-ZDUSSCGKSA-N 1 2 342.424 2.028 20 30 EEEDLO C=CCNC(=O)[C@H]1CC12CCN(c1nc(N(C)CC)c(C)c[nH+]1)CC2 ZINC001274725833 1205144400 /nfs/dbraw/zinc/14/44/00/1205144400.db2.gz FIGGKSVHZDEGRL-OAHLLOKOSA-N 1 2 343.475 2.150 20 30 EEEDLO COc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)cn1 ZINC001015181987 1224873336 /nfs/dbraw/zinc/87/33/36/1224873336.db2.gz KTQUYKLLQHHPSP-ZDUSSCGKSA-N 1 2 342.424 2.028 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3cc(F)ccc3C#N)C2)OCC1=O ZINC001274778133 1205159437 /nfs/dbraw/zinc/15/94/37/1205159437.db2.gz QZQFDYQBLAOPSB-LJQANCHMSA-N 1 2 343.402 2.077 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3cc(F)ccc3C#N)C2)OCC1=O ZINC001274778133 1205159439 /nfs/dbraw/zinc/15/94/39/1205159439.db2.gz QZQFDYQBLAOPSB-LJQANCHMSA-N 1 2 343.402 2.077 20 30 EEEDLO COCc1ccc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)o1 ZINC001015186145 1224879363 /nfs/dbraw/zinc/87/93/63/1224879363.db2.gz HTHDILLHEVCIKZ-KRWDZBQOSA-N 1 2 338.407 2.282 20 30 EEEDLO COCc1ccc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)o1 ZINC001015186145 1224879371 /nfs/dbraw/zinc/87/93/71/1224879371.db2.gz HTHDILLHEVCIKZ-KRWDZBQOSA-N 1 2 338.407 2.282 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cccc(C#N)c4)C3)C2)cc1C#N ZINC001275290273 1205299498 /nfs/dbraw/zinc/29/94/98/1205299498.db2.gz CYZGWPPPLXLBAM-UHFFFAOYSA-N 1 2 331.423 2.086 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3OCCN(Cc4ccc[nH]4)[C@H]3C2)cc1F ZINC001275327043 1205309924 /nfs/dbraw/zinc/30/99/24/1205309924.db2.gz HBPFWRFWVPOCBH-OALUTQOASA-N 1 2 340.402 2.111 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3OCCN(Cc4ccc[nH]4)[C@H]3C2)cc1F ZINC001275327043 1205309926 /nfs/dbraw/zinc/30/99/26/1205309926.db2.gz HBPFWRFWVPOCBH-OALUTQOASA-N 1 2 340.402 2.111 20 30 EEEDLO C=CCCC(=O)NCCCN(C)c1[nH+]c(C)nc(-n2cccn2)c1C ZINC001095495901 1205823147 /nfs/dbraw/zinc/82/31/47/1205823147.db2.gz LQOPHCYNHKOTPY-UHFFFAOYSA-N 1 2 342.447 2.188 20 30 EEEDLO C#CCCCC(=O)NC[C@H]1CN(c2cc[nH+]c(C)n2)CCC1(F)F ZINC001111011597 1207387905 /nfs/dbraw/zinc/38/79/05/1207387905.db2.gz BJGOIFIDCYKYQL-AWEZNQCLSA-N 1 2 336.386 2.166 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@]1(O)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001111101705 1208190038 /nfs/dbraw/zinc/19/00/38/1208190038.db2.gz GVBBBMXAZBMKMA-LJQANCHMSA-N 1 2 346.475 2.062 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)CCCCC)C2 ZINC001111108446 1208237140 /nfs/dbraw/zinc/23/71/40/1208237140.db2.gz MBSJUBJOPVPBIW-TVFCKZIOSA-N 1 2 347.503 2.064 20 30 EEEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)CCCCC)C2 ZINC001111108446 1208237142 /nfs/dbraw/zinc/23/71/42/1208237142.db2.gz MBSJUBJOPVPBIW-TVFCKZIOSA-N 1 2 347.503 2.064 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3coc(C)n3)[C@H](C)C2)c1 ZINC000947710186 1208681654 /nfs/dbraw/zinc/68/16/54/1208681654.db2.gz LDNNCXKZFIAOQB-CXAGYDPISA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3coc(C)n3)[C@H](C)C2)c1 ZINC000947710186 1208681656 /nfs/dbraw/zinc/68/16/56/1208681656.db2.gz LDNNCXKZFIAOQB-CXAGYDPISA-N 1 2 338.411 2.142 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCOCC1 ZINC000948913801 1209449778 /nfs/dbraw/zinc/44/97/78/1209449778.db2.gz YQIUBIZJYVNDRY-MJGOQNOKSA-N 1 2 326.440 2.152 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCOCC1 ZINC000948913801 1209449780 /nfs/dbraw/zinc/44/97/80/1209449780.db2.gz YQIUBIZJYVNDRY-MJGOQNOKSA-N 1 2 326.440 2.152 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccnc(OC)c1 ZINC000948931819 1209459255 /nfs/dbraw/zinc/45/92/55/1209459255.db2.gz BHHCXJVEGAGNPV-LJQANCHMSA-N 1 2 349.434 2.443 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccnc(OC)c1 ZINC000948931819 1209459257 /nfs/dbraw/zinc/45/92/57/1209459257.db2.gz BHHCXJVEGAGNPV-LJQANCHMSA-N 1 2 349.434 2.443 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@H+](Cc1ccccc1F)CCO2 ZINC000949320146 1209628552 /nfs/dbraw/zinc/62/85/52/1209628552.db2.gz GKSPAPRZAUVNSC-HNNXBMFYSA-N 1 2 345.418 2.179 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+](Cc1ccccc1F)CCO2 ZINC000949320146 1209628553 /nfs/dbraw/zinc/62/85/53/1209628553.db2.gz GKSPAPRZAUVNSC-HNNXBMFYSA-N 1 2 345.418 2.179 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3oc(CC)cc3C)CC2)C1 ZINC000949511982 1209721078 /nfs/dbraw/zinc/72/10/78/1209721078.db2.gz BAEOMTZAZXHEMQ-UHFFFAOYSA-N 1 2 330.428 2.091 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3oc(CC)cc3C)CC2)C1 ZINC000949511982 1209721080 /nfs/dbraw/zinc/72/10/80/1209721080.db2.gz BAEOMTZAZXHEMQ-UHFFFAOYSA-N 1 2 330.428 2.091 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC000950487494 1210242419 /nfs/dbraw/zinc/24/24/19/1210242419.db2.gz XAPDERLRENGJBP-UHFFFAOYSA-N 1 2 325.416 2.194 20 30 EEEDLO C=C(Cl)CN1CC(N(CC)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000950663568 1210334312 /nfs/dbraw/zinc/33/43/12/1210334312.db2.gz VBUFFMHZGKXZNA-ZDUSSCGKSA-N 1 2 336.867 2.108 20 30 EEEDLO C=C(Cl)CN1CC(N(CC)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000950663568 1210334313 /nfs/dbraw/zinc/33/43/13/1210334313.db2.gz VBUFFMHZGKXZNA-ZDUSSCGKSA-N 1 2 336.867 2.108 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)c1csnn1 ZINC001015420432 1225232136 /nfs/dbraw/zinc/23/21/36/1225232136.db2.gz BBMIGFMQPSARNY-CQSZACIVSA-N 1 2 346.843 2.047 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)c1csnn1 ZINC001015420432 1225232138 /nfs/dbraw/zinc/23/21/38/1225232138.db2.gz BBMIGFMQPSARNY-CQSZACIVSA-N 1 2 346.843 2.047 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001095841501 1210803704 /nfs/dbraw/zinc/80/37/04/1210803704.db2.gz STWBDPSYPHGWJJ-NEWSRXKRSA-N 1 2 334.423 2.105 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001095841501 1210803709 /nfs/dbraw/zinc/80/37/09/1210803709.db2.gz STWBDPSYPHGWJJ-NEWSRXKRSA-N 1 2 334.423 2.105 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCN2C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000951967885 1211138074 /nfs/dbraw/zinc/13/80/74/1211138074.db2.gz MBEYEBRSMLNRET-RDJZCZTQSA-N 1 2 344.459 2.298 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)c2cocc2C)C1 ZINC001015516921 1225355177 /nfs/dbraw/zinc/35/51/77/1225355177.db2.gz QHFIHRRTXOMPJV-INIZCTEOSA-N 1 2 339.395 2.473 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)c2cocc2C)C1 ZINC001015516921 1225355182 /nfs/dbraw/zinc/35/51/82/1225355182.db2.gz QHFIHRRTXOMPJV-INIZCTEOSA-N 1 2 339.395 2.473 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)C2CCN(C(=O)[C@H](C)C#N)CC2)c(C)[nH+]1 ZINC000954143440 1212497108 /nfs/dbraw/zinc/49/71/08/1212497108.db2.gz SIVLPPGMNQNVFQ-CYBMUJFWSA-N 1 2 342.443 2.230 20 30 EEEDLO C=C1CCC(C(=O)N2CCC(N(C)C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC000954997234 1212753114 /nfs/dbraw/zinc/75/31/14/1212753114.db2.gz PPJGDLOOABPKJL-UHFFFAOYSA-N 1 2 344.459 2.148 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cs1 ZINC001015604696 1225454445 /nfs/dbraw/zinc/45/44/45/1225454445.db2.gz XDJMXTCAYGTYDI-OAHLLOKOSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cs1 ZINC001015604696 1225454448 /nfs/dbraw/zinc/45/44/48/1225454448.db2.gz XDJMXTCAYGTYDI-OAHLLOKOSA-N 1 2 326.425 2.328 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)CCC)CC3)C2)CC1 ZINC000956579538 1214098913 /nfs/dbraw/zinc/09/89/13/1214098913.db2.gz BUGZUBZIQTUBHY-GOSISDBHSA-N 1 2 347.503 2.278 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH+]3CCN(C(=O)[C@@H](C)CC)CC3)C2)C1 ZINC000956579870 1214099926 /nfs/dbraw/zinc/09/99/26/1214099926.db2.gz AKWAYJHKFWFJMV-IRXDYDNUSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CCC)CC2)C1 ZINC000956581603 1214103085 /nfs/dbraw/zinc/10/30/85/1214103085.db2.gz QTOBAIKDTUPNFU-APWZRJJASA-N 1 2 335.492 2.134 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)CC)C3)CC2)C1 ZINC000956603353 1214124203 /nfs/dbraw/zinc/12/42/03/1214124203.db2.gz BZEMUBYVORUJKF-IRXDYDNUSA-N 1 2 347.503 2.134 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnn(CC3CCCC3)c2)C1 ZINC000957046280 1214788002 /nfs/dbraw/zinc/78/80/02/1214788002.db2.gz NBEFSMKNCDWLBJ-UHFFFAOYSA-N 1 2 328.460 2.243 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C)c(OC)c3)CC2)nc1 ZINC000957378734 1215088387 /nfs/dbraw/zinc/08/83/87/1215088387.db2.gz FRZVXABXPRRGKV-UHFFFAOYSA-N 1 2 349.434 2.338 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C)n3CCC)C[C@H]21 ZINC001114722428 1215114719 /nfs/dbraw/zinc/11/47/19/1215114719.db2.gz HQJYOOLHGIENRE-KBEGMRNHSA-N 1 2 345.491 2.145 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nnc(C)n3CCC)C[C@H]21 ZINC001114722428 1215114722 /nfs/dbraw/zinc/11/47/22/1215114722.db2.gz HQJYOOLHGIENRE-KBEGMRNHSA-N 1 2 345.491 2.145 20 30 EEEDLO Cc1nc(N2C[C@]3(C)CN(C(=O)C#CC(C)C)C[C@]3(C)C2)cc[nH+]1 ZINC001114726730 1215117921 /nfs/dbraw/zinc/11/79/21/1215117921.db2.gz BANLXIKNOZKHOA-KDURUIRLSA-N 1 2 326.444 2.119 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ncc(C)cn4)C[C@H]32)CC1 ZINC001114794652 1215326103 /nfs/dbraw/zinc/32/61/03/1215326103.db2.gz MUNQNFIJGZRDOS-QLPKVWCKSA-N 1 2 326.444 2.078 20 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/nfs/dbraw/zinc/96/87/36/1233968736.db2.gz WCWHAOMBADMZOB-HZPDHXFCSA-N 1 2 338.415 2.067 20 30 EEEDLO CC1(C)CCC[C@@H](CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046076617 1234410618 /nfs/dbraw/zinc/41/06/18/1234410618.db2.gz GZLUOQKDIJGZRP-ZWKOTPCHSA-N 1 2 346.519 2.335 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001046520473 1234899204 /nfs/dbraw/zinc/89/92/04/1234899204.db2.gz CYSNPCVEACZGDZ-KRWDZBQOSA-N 1 2 347.850 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001046520473 1234899207 /nfs/dbraw/zinc/89/92/07/1234899207.db2.gz CYSNPCVEACZGDZ-KRWDZBQOSA-N 1 2 347.850 2.293 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001046764761 1235162236 /nfs/dbraw/zinc/16/22/36/1235162236.db2.gz FUSSHOODLBDKRA-KRWDZBQOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001046764761 1235162238 /nfs/dbraw/zinc/16/22/38/1235162238.db2.gz FUSSHOODLBDKRA-KRWDZBQOSA-N 1 2 345.834 2.214 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3csc(C)n3)C2)cn1 ZINC001046779919 1235177707 /nfs/dbraw/zinc/17/77/07/1235177707.db2.gz XXWTVDDWUSGTRN-SFHVURJKSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](Cc3csc(C)n3)C2)cn1 ZINC001046779919 1235177709 /nfs/dbraw/zinc/17/77/09/1235177709.db2.gz XXWTVDDWUSGTRN-SFHVURJKSA-N 1 2 340.452 2.222 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(NC(N)=O)cc2)C1 ZINC001046815787 1235213877 /nfs/dbraw/zinc/21/38/77/1235213877.db2.gz CBAGTDCHZXABCN-INIZCTEOSA-N 1 2 336.823 2.124 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(NC(N)=O)cc2)C1 ZINC001046815787 1235213880 /nfs/dbraw/zinc/21/38/80/1235213880.db2.gz CBAGTDCHZXABCN-INIZCTEOSA-N 1 2 336.823 2.124 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC001046815662 1235214167 /nfs/dbraw/zinc/21/41/67/1235214167.db2.gz ZGRHONLMLIPIGO-WMZOPIPTSA-N 1 2 334.847 2.461 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC001046815662 1235214169 /nfs/dbraw/zinc/21/41/69/1235214169.db2.gz ZGRHONLMLIPIGO-WMZOPIPTSA-N 1 2 334.847 2.461 20 30 EEEDLO C#CC[NH+]1CCC([C@H]2CCCN(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC001047240317 1235725706 /nfs/dbraw/zinc/72/57/06/1235725706.db2.gz AQSZHAVVSVVQHB-KBPBESRZSA-N 1 2 334.357 2.471 20 30 EEEDLO C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](F)C(F)(F)F)C2)CC1 ZINC001047240317 1235725711 /nfs/dbraw/zinc/72/57/11/1235725711.db2.gz AQSZHAVVSVVQHB-KBPBESRZSA-N 1 2 334.357 2.471 20 30 EEEDLO Cc1[nH]c(/C=C/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[nH+]c1C ZINC000901428796 1235783638 /nfs/dbraw/zinc/78/36/38/1235783638.db2.gz OGCXRADHUREFAF-MDZDMXLPSA-N 1 2 333.413 2.173 20 30 EEEDLO Cc1cc(N2CCC[C@@H](NC(=O)C#CC(C)C)C2)nc(C2CC2)[nH+]1 ZINC001096177059 1235818484 /nfs/dbraw/zinc/81/84/84/1235818484.db2.gz LKYWROCCVSZRCO-MRXNPFEDSA-N 1 2 326.444 2.407 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001047632843 1236317859 /nfs/dbraw/zinc/31/78/59/1236317859.db2.gz SWGLQDLNEDYIOO-KKUMJFAQSA-N 1 2 344.459 2.050 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2CC(=C)C)CC1 ZINC000802550164 1237631159 /nfs/dbraw/zinc/63/11/59/1237631159.db2.gz OUQKFQYFHMBVIQ-UHFFFAOYSA-N 1 2 339.418 2.416 20 30 EEEDLO C#CC[N@@H+](CC(=O)NC(=O)NCc1cccs1)Cc1ccccc1 ZINC000796631214 1249623663 /nfs/dbraw/zinc/62/36/63/1249623663.db2.gz DMMRVZCCEYEKFR-UHFFFAOYSA-N 1 2 341.436 2.209 20 30 EEEDLO C#CC[N@H+](CC(=O)NC(=O)NCc1cccs1)Cc1ccccc1 ZINC000796631214 1249623676 /nfs/dbraw/zinc/62/36/76/1249623676.db2.gz DMMRVZCCEYEKFR-UHFFFAOYSA-N 1 2 341.436 2.209 20 30 EEEDLO N#CCN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001048550272 1237942352 /nfs/dbraw/zinc/94/23/52/1237942352.db2.gz MZJINFDWCTTXRV-IDHPPYADSA-N 1 2 349.438 2.369 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001056447039 1239385479 /nfs/dbraw/zinc/38/54/79/1239385479.db2.gz XAJLTIYRSLRMIH-IRXDYDNUSA-N 1 2 344.459 2.291 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001056447039 1239385482 /nfs/dbraw/zinc/38/54/82/1239385482.db2.gz XAJLTIYRSLRMIH-IRXDYDNUSA-N 1 2 344.459 2.291 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)c2coc(C)n2)CC1 ZINC001000603101 1240576974 /nfs/dbraw/zinc/57/69/74/1240576974.db2.gz JJAIYHHLOYAPFL-UHFFFAOYSA-N 1 2 340.221 2.254 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)c2coc(C)n2)CC1 ZINC001000603101 1240576979 /nfs/dbraw/zinc/57/69/79/1240576979.db2.gz JJAIYHHLOYAPFL-UHFFFAOYSA-N 1 2 340.221 2.254 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001049381425 1240739676 /nfs/dbraw/zinc/73/96/76/1240739676.db2.gz KNGJYZGURXVCMY-BVGQSLNGSA-N 1 2 340.402 2.422 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1C#N ZINC001049381425 1240739683 /nfs/dbraw/zinc/73/96/83/1240739683.db2.gz KNGJYZGURXVCMY-BVGQSLNGSA-N 1 2 340.402 2.422 20 30 EEEDLO C=C[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2nc(C)no2)C1)c1ccccc1 ZINC001000973161 1241348878 /nfs/dbraw/zinc/34/88/78/1241348878.db2.gz QTBVTQDNARRSKX-DLBZAZTESA-N 1 2 340.427 2.428 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC(CNc2cc[nH+]c(C)n2)C1 ZINC001067892451 1249904221 /nfs/dbraw/zinc/90/42/21/1249904221.db2.gz QRFGKUDGXMMWKS-OBQMCRIKSA-N 1 2 344.459 2.463 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cn(CC)nn1 ZINC001049643228 1241739451 /nfs/dbraw/zinc/73/94/51/1241739451.db2.gz CTAGTMDLCLQHOL-HZPDHXFCSA-N 1 2 331.464 2.076 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cn(CC)nn1 ZINC001049643228 1241739459 /nfs/dbraw/zinc/73/94/59/1241739459.db2.gz CTAGTMDLCLQHOL-HZPDHXFCSA-N 1 2 331.464 2.076 20 30 EEEDLO CN(C(=O)Cn1cc[nH+]c1)C1CCC(Nc2ccc(C#N)nc2)CC1 ZINC001067910349 1249948311 /nfs/dbraw/zinc/94/83/11/1249948311.db2.gz CPCPDQBEGNIERZ-UHFFFAOYSA-N 1 2 338.415 2.031 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC001073406446 1242443224 /nfs/dbraw/zinc/44/32/24/1242443224.db2.gz WJXZWPADECHHOV-INIZCTEOSA-N 1 2 346.475 2.062 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001073438878 1242477013 /nfs/dbraw/zinc/47/70/13/1242477013.db2.gz YSKUPTVNNHASAO-OAHLLOKOSA-N 1 2 346.475 2.229 20 30 EEEDLO O=C(C#CC1CC1)N1CCC[C@H]2C[N@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001050045105 1242708576 /nfs/dbraw/zinc/70/85/76/1242708576.db2.gz WYIPKFJKPLJTRO-DLBZAZTESA-N 1 2 339.439 2.388 20 30 EEEDLO O=C(C#CC1CC1)N1CCC[C@H]2C[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001050045105 1242708582 /nfs/dbraw/zinc/70/85/82/1242708582.db2.gz WYIPKFJKPLJTRO-DLBZAZTESA-N 1 2 339.439 2.388 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC001074038915 1242918211 /nfs/dbraw/zinc/91/82/11/1242918211.db2.gz NZGGFDSQYKXCNV-IRXDYDNUSA-N 1 2 346.475 2.373 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](Nc1[nH+]cnc2c1cnn2C)C1CC1 ZINC001096807499 1243309101 /nfs/dbraw/zinc/30/91/01/1243309101.db2.gz PXYCBKNDKDJBAB-KSSFIOAISA-N 1 2 342.447 2.272 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H](CN(C)c2[nH+]cnc3c2cnn3C)C1 ZINC001096868084 1243443759 /nfs/dbraw/zinc/44/37/59/1243443759.db2.gz VQIRTQXWLDMGPW-AWEZNQCLSA-N 1 2 342.447 2.004 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H](Nc3[nH+]cnc4c3cnn4C)C2)CCC1 ZINC001097098321 1243696036 /nfs/dbraw/zinc/69/60/36/1243696036.db2.gz JKXWERXWPPIAOR-JOCQHMNTSA-N 1 2 340.431 2.169 20 30 EEEDLO Cc1nc(N2CC[C@@H]3[C@H](CCCN3C(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001097138206 1243754925 /nfs/dbraw/zinc/75/49/25/1243754925.db2.gz VUGNGSWNNPPYIE-IAGOWNOFSA-N 1 2 326.444 2.262 20 30 EEEDLO Cc1cc(NCC2CCN(C(=O)[C@@H](C)C#N)CC2)nc(C2CC2)[nH+]1 ZINC001057478622 1243918946 /nfs/dbraw/zinc/91/89/46/1243918946.db2.gz BZMBVIHSBXXSKT-LBPRGKRZSA-N 1 2 327.432 2.473 20 30 EEEDLO C=CCOCCCC(=O)N[C@H](C)[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097519199 1244296273 /nfs/dbraw/zinc/29/62/73/1244296273.db2.gz SCNYBEKAUSHRJY-WBVHZDCISA-N 1 2 346.475 2.489 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc3[nH]c(C)nc31)C2 ZINC001097569029 1244370486 /nfs/dbraw/zinc/37/04/86/1244370486.db2.gz LIPUMCFIBMRJJS-BNOWGMLFSA-N 1 2 345.834 2.354 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc3[nH]c(C)nc31)C2 ZINC001097569029 1244370497 /nfs/dbraw/zinc/37/04/97/1244370497.db2.gz LIPUMCFIBMRJJS-BNOWGMLFSA-N 1 2 345.834 2.354 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1c(C)noc1CCC ZINC001050914660 1244614069 /nfs/dbraw/zinc/61/40/69/1244614069.db2.gz OELHXYUZJQGNAA-OAHLLOKOSA-N 1 2 335.448 2.332 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(C)noc1CCC ZINC001050914660 1244614078 /nfs/dbraw/zinc/61/40/78/1244614078.db2.gz OELHXYUZJQGNAA-OAHLLOKOSA-N 1 2 335.448 2.332 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn2cc(C)ccc2n1 ZINC001050985784 1244786772 /nfs/dbraw/zinc/78/67/72/1244786772.db2.gz HWOQXBZQDZLCFQ-MRXNPFEDSA-N 1 2 342.443 2.040 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cn2cc(C)ccc2n1 ZINC001050985784 1244786781 /nfs/dbraw/zinc/78/67/81/1244786781.db2.gz HWOQXBZQDZLCFQ-MRXNPFEDSA-N 1 2 342.443 2.040 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C)n([C@@H](C)CC)n1 ZINC001050995900 1244814910 /nfs/dbraw/zinc/81/49/10/1244814910.db2.gz JCGCPUXAAMTHLD-GOEBONIOSA-N 1 2 334.464 2.169 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C)n([C@@H](C)CC)n1 ZINC001050995900 1244814923 /nfs/dbraw/zinc/81/49/23/1244814923.db2.gz JCGCPUXAAMTHLD-GOEBONIOSA-N 1 2 334.464 2.169 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(COC)cs1 ZINC001051009063 1244839296 /nfs/dbraw/zinc/83/92/96/1244839296.db2.gz DDLXGOSUPJNDSZ-OAHLLOKOSA-N 1 2 338.473 2.291 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(COC)cs1 ZINC001051009063 1244839306 /nfs/dbraw/zinc/83/93/06/1244839306.db2.gz DDLXGOSUPJNDSZ-OAHLLOKOSA-N 1 2 338.473 2.291 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)cn1C ZINC001051012801 1244850116 /nfs/dbraw/zinc/85/01/16/1244850116.db2.gz HOVHUMSVDBHVTP-AWEZNQCLSA-N 1 2 325.840 2.075 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)cn1C ZINC001051012801 1244850118 /nfs/dbraw/zinc/85/01/18/1244850118.db2.gz HOVHUMSVDBHVTP-AWEZNQCLSA-N 1 2 325.840 2.075 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OCC)c(C)c1 ZINC001051144645 1245041795 /nfs/dbraw/zinc/04/17/95/1245041795.db2.gz VRWDTZKUFJETGE-KRWDZBQOSA-N 1 2 332.444 2.400 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OCC)c(C)c1 ZINC001051144645 1245041798 /nfs/dbraw/zinc/04/17/98/1245041798.db2.gz VRWDTZKUFJETGE-KRWDZBQOSA-N 1 2 332.444 2.400 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(F)cc2cccnc21 ZINC001051144673 1245042974 /nfs/dbraw/zinc/04/29/74/1245042974.db2.gz WHJIRYYBHBHYLY-INIZCTEOSA-N 1 2 343.402 2.381 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(F)cc2cccnc21 ZINC001051144673 1245042986 /nfs/dbraw/zinc/04/29/86/1245042986.db2.gz WHJIRYYBHBHYLY-INIZCTEOSA-N 1 2 343.402 2.381 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)nc1C(C)(C)C ZINC001051170106 1245082832 /nfs/dbraw/zinc/08/28/32/1245082832.db2.gz MHPIKFADDHNEDR-HNNXBMFYSA-N 1 2 348.491 2.114 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)nc1C(C)(C)C ZINC001051170106 1245082839 /nfs/dbraw/zinc/08/28/39/1245082839.db2.gz MHPIKFADDHNEDR-HNNXBMFYSA-N 1 2 348.491 2.114 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccccc1NC(=O)CC ZINC001051171772 1245083090 /nfs/dbraw/zinc/08/30/90/1245083090.db2.gz AKRAHNONQNNYGK-OAHLLOKOSA-N 1 2 345.443 2.042 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccccc1NC(=O)CC ZINC001051171772 1245083097 /nfs/dbraw/zinc/08/30/97/1245083097.db2.gz AKRAHNONQNNYGK-OAHLLOKOSA-N 1 2 345.443 2.042 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H](C)C#N)c2)C1 ZINC001101090641 1245387554 /nfs/dbraw/zinc/38/75/54/1245387554.db2.gz NUBDWPYAXIODCD-LRDDRELGSA-N 1 2 348.834 2.063 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H](C)C#N)c2)C1 ZINC001101090641 1245387558 /nfs/dbraw/zinc/38/75/58/1245387558.db2.gz NUBDWPYAXIODCD-LRDDRELGSA-N 1 2 348.834 2.063 20 30 EEEDLO C=C(C)CCC(=O)N[C@H](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001051248852 1245438261 /nfs/dbraw/zinc/43/82/61/1245438261.db2.gz GAAYYGGUFFWXRS-CABCVRRESA-N 1 2 346.475 2.397 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([C@@H](C)NC(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001051537102 1245852508 /nfs/dbraw/zinc/85/25/08/1245852508.db2.gz AAMGTUSFHQNGJQ-HUUCEWRRSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001053132183 1245959669 /nfs/dbraw/zinc/95/96/69/1245959669.db2.gz JWEYKNOQXBCAAR-HZPDHXFCSA-N 1 2 346.475 2.086 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053131612 1245960105 /nfs/dbraw/zinc/96/01/05/1245960105.db2.gz GKMPIPUMUHPOHP-CABCVRRESA-N 1 2 346.475 2.155 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053131612 1245960115 /nfs/dbraw/zinc/96/01/15/1245960115.db2.gz GKMPIPUMUHPOHP-CABCVRRESA-N 1 2 346.475 2.155 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC2(C[NH+](CCC(F)(F)F)C2)n2ccnc21 ZINC001101615880 1246039244 /nfs/dbraw/zinc/03/92/44/1246039244.db2.gz RZLRLUGJOBAZMR-LBPRGKRZSA-N 1 2 342.365 2.374 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC001051964101 1246317674 /nfs/dbraw/zinc/31/76/74/1246317674.db2.gz HOKCJONTFMJNTN-MRXNPFEDSA-N 1 2 325.884 2.148 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3csc(C)c3C)C2)CC1 ZINC001052032773 1246399194 /nfs/dbraw/zinc/39/91/94/1246399194.db2.gz KEZUZFMUMMBNKE-KRWDZBQOSA-N 1 2 345.512 2.220 20 30 EEEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1coc(CCC)n1)CCO2 ZINC001053507700 1246410725 /nfs/dbraw/zinc/41/07/25/1246410725.db2.gz RWXAMVHAZDFYKR-UHFFFAOYSA-N 1 2 333.432 2.120 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnc(C(C)C)s1)CCO2 ZINC001053554694 1246466360 /nfs/dbraw/zinc/46/63/60/1246466360.db2.gz URQUGXNIGDDOGE-UHFFFAOYSA-N 1 2 335.473 2.369 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C)[nH]c3C)C2)CC1 ZINC001052087274 1246466536 /nfs/dbraw/zinc/46/65/36/1246466536.db2.gz QSBGQBORYBFWKU-QGZVFWFLSA-N 1 2 330.476 2.040 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)CC3CCCC3)C2)CC1 ZINC001052092783 1246471009 /nfs/dbraw/zinc/47/10/09/1246471009.db2.gz ILDLMLLQOFHLTJ-ICSRJNTNSA-N 1 2 345.531 2.445 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1oc(CC3CC3)nc1C)O2 ZINC001053598814 1246513086 /nfs/dbraw/zinc/51/30/86/1246513086.db2.gz FQKAGRFSDHOJFB-HNNXBMFYSA-N 1 2 345.443 2.085 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccn(C3CCCC3)n1)O2 ZINC001053605877 1246522178 /nfs/dbraw/zinc/52/21/78/1246522178.db2.gz ODLFFXUTWYPNTE-MRXNPFEDSA-N 1 2 344.459 2.147 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1Cc3ccc(F)cc31)O2 ZINC001053652351 1246593442 /nfs/dbraw/zinc/59/34/42/1246593442.db2.gz URAMLYBSBAWMSD-WMZOPIPTSA-N 1 2 344.430 2.391 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c3cccnc13)O2 ZINC001053687800 1246650516 /nfs/dbraw/zinc/65/05/16/1246650516.db2.gz ZCYFIOUHRQFMEJ-AWEZNQCLSA-N 1 2 340.427 2.102 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn(CCCC)nc1C)O2 ZINC001053687494 1246650926 /nfs/dbraw/zinc/65/09/26/1246650926.db2.gz RLYRZWJMIIWXGD-MRXNPFEDSA-N 1 2 346.475 2.141 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3ccccc3n1)O2 ZINC001053690632 1246657579 /nfs/dbraw/zinc/65/75/79/1246657579.db2.gz PBIVRYQGDCIPDL-INIZCTEOSA-N 1 2 337.423 2.384 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc(CCC)c1)CO2 ZINC001053834146 1246871833 /nfs/dbraw/zinc/87/18/33/1246871833.db2.gz DCFDDXILCXXOTJ-QGZVFWFLSA-N 1 2 329.444 2.183 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)onc1C1CC1)CO2 ZINC001053872308 1246948386 /nfs/dbraw/zinc/94/83/86/1246948386.db2.gz AXNRSDUQYJDXBR-CQSZACIVSA-N 1 2 331.416 2.010 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nc3ccccc3cc1C)CO2 ZINC001053874499 1246951438 /nfs/dbraw/zinc/95/14/38/1246951438.db2.gz WYKGAJUXLCXYNA-QGZVFWFLSA-N 1 2 349.434 2.140 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C(F)F)cc1)CO2 ZINC001053954500 1247062368 /nfs/dbraw/zinc/06/23/68/1247062368.db2.gz BTSZBGXYFPPJID-OAHLLOKOSA-N 1 2 334.366 2.221 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)cc3c[nH]nc31)CO2 ZINC001053955939 1247064355 /nfs/dbraw/zinc/06/43/55/1247064355.db2.gz VRRPWVDHVZHCBT-OAHLLOKOSA-N 1 2 340.427 2.021 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3c(C)cccn3c1)CO2 ZINC001053980657 1247103988 /nfs/dbraw/zinc/10/39/88/1247103988.db2.gz AXLMSAPMXMELHF-KRWDZBQOSA-N 1 2 339.439 2.397 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C(C)C)s1)CO2 ZINC001054018820 1247157438 /nfs/dbraw/zinc/15/74/38/1247157438.db2.gz ISQMRMHXRJZNET-AWEZNQCLSA-N 1 2 332.469 2.468 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccc2nccn21 ZINC001054046362 1247225079 /nfs/dbraw/zinc/22/50/79/1247225079.db2.gz JSGUXKLQAHHKAU-SFHVURJKSA-N 1 2 344.418 2.124 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccc2nccn21 ZINC001054046362 1247225087 /nfs/dbraw/zinc/22/50/87/1247225087.db2.gz JSGUXKLQAHHKAU-SFHVURJKSA-N 1 2 344.418 2.124 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cncc(CC)c1 ZINC001054047140 1247228925 /nfs/dbraw/zinc/22/89/25/1247228925.db2.gz WPKNNKCOBZEIEY-FQEVSTJZSA-N 1 2 333.435 2.434 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cncc(CC)c1 ZINC001054047140 1247228933 /nfs/dbraw/zinc/22/89/33/1247228933.db2.gz WPKNNKCOBZEIEY-FQEVSTJZSA-N 1 2 333.435 2.434 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(CCC)n[nH]1 ZINC001054049292 1247232467 /nfs/dbraw/zinc/23/24/67/1247232467.db2.gz UJGXGAWHPQIFBL-SFHVURJKSA-N 1 2 336.439 2.152 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(CCC)n[nH]1 ZINC001054049292 1247232475 /nfs/dbraw/zinc/23/24/75/1247232475.db2.gz UJGXGAWHPQIFBL-SFHVURJKSA-N 1 2 336.439 2.152 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccn(C)c1CC ZINC001054052493 1247245742 /nfs/dbraw/zinc/24/57/42/1247245742.db2.gz YLYRNBULCRTNBM-GOSISDBHSA-N 1 2 335.451 2.377 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccn(C)c1CC ZINC001054052493 1247245754 /nfs/dbraw/zinc/24/57/54/1247245754.db2.gz YLYRNBULCRTNBM-GOSISDBHSA-N 1 2 335.451 2.377 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc2cccnn21 ZINC001054054976 1247249668 /nfs/dbraw/zinc/24/96/68/1247249668.db2.gz BQPTVFUDYHZVBE-LJQANCHMSA-N 1 2 344.418 2.124 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc2cccnn21 ZINC001054054976 1247249680 /nfs/dbraw/zinc/24/96/80/1247249680.db2.gz BQPTVFUDYHZVBE-LJQANCHMSA-N 1 2 344.418 2.124 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@]2(CC[N@H+](Cc3nncn3C)C2)C1 ZINC001054192399 1247674225 /nfs/dbraw/zinc/67/42/25/1247674225.db2.gz WWWIZBKYDOHFGT-RBUKOAKNSA-N 1 2 345.491 2.232 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3nncn3C)C2)C1 ZINC001054192399 1247674237 /nfs/dbraw/zinc/67/42/37/1247674237.db2.gz WWWIZBKYDOHFGT-RBUKOAKNSA-N 1 2 345.491 2.232 20 30 EEEDLO C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(C3CC3)[nH]n1)C2 ZINC001054202549 1247703181 /nfs/dbraw/zinc/70/31/81/1247703181.db2.gz HQWGUTHOIHJWIO-IBGZPJMESA-N 1 2 326.444 2.239 20 30 EEEDLO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(C3CC3)[nH]n1)C2 ZINC001054202549 1247703192 /nfs/dbraw/zinc/70/31/92/1247703192.db2.gz HQWGUTHOIHJWIO-IBGZPJMESA-N 1 2 326.444 2.239 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc4oc(=O)[nH]c4c3)cc2C1 ZINC001054267554 1247943163 /nfs/dbraw/zinc/94/31/63/1247943163.db2.gz AVCLBZAHYJJXDH-UHFFFAOYSA-N 1 2 347.374 2.412 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4oc(=O)[nH]c4c3)cc2C1 ZINC001054267554 1247943171 /nfs/dbraw/zinc/94/31/71/1247943171.db2.gz AVCLBZAHYJJXDH-UHFFFAOYSA-N 1 2 347.374 2.412 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3Cc4ccncc4C3)cc2C1 ZINC001054281384 1247997693 /nfs/dbraw/zinc/99/76/93/1247997693.db2.gz KLZMGOWLGVBZPJ-GOSISDBHSA-N 1 2 331.419 2.062 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3Cc4ccncc4C3)cc2C1 ZINC001054281384 1247997698 /nfs/dbraw/zinc/99/76/98/1247997698.db2.gz KLZMGOWLGVBZPJ-GOSISDBHSA-N 1 2 331.419 2.062 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ncccc3OCC)cc2C1 ZINC001054293595 1248034347 /nfs/dbraw/zinc/03/43/47/1248034347.db2.gz GAKCTNZFYWKKOU-UHFFFAOYSA-N 1 2 335.407 2.359 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ncccc3OCC)cc2C1 ZINC001054293595 1248034358 /nfs/dbraw/zinc/03/43/58/1248034358.db2.gz GAKCTNZFYWKKOU-UHFFFAOYSA-N 1 2 335.407 2.359 20 30 EEEDLO Cc1c(CN2CCN(c3cc(C#N)ccn3)CC2)[nH+]c2ccccn12 ZINC001137273583 1248066897 /nfs/dbraw/zinc/06/68/97/1248066897.db2.gz OMDWEIWLRUEGGF-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO C[C@H](Nc1ncccc1C#N)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001058023865 1248309834 /nfs/dbraw/zinc/30/98/34/1248309834.db2.gz NFOCVYYHJNCWNG-XJKSGUPXSA-N 1 2 338.415 2.101 20 30 EEEDLO C[C@H](Nc1ccc(C#N)nc1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001058024248 1248311101 /nfs/dbraw/zinc/31/11/01/1248311101.db2.gz TUHHHBCJJBPUQM-GUYCJALGSA-N 1 2 338.415 2.101 20 30 EEEDLO C#CCCOc1ccc(C(=O)NC[C@@H](C)Nc2cc[nH+]c(C)n2)cc1 ZINC001098059398 1250494835 /nfs/dbraw/zinc/49/48/35/1250494835.db2.gz QQZZEGMBCKMYPU-CQSZACIVSA-N 1 2 338.411 2.418 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001069755640 1253225516 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2.216 20 30 EEEDLO Cc1nc(N[C@@H](C)CN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)ccc1C#N ZINC001120759116 1309731767 /nfs/dbraw/zinc/73/17/67/1309731767.db2.gz RKGZDSUEJPJHAX-UONOGXRCSA-N 1 2 340.431 2.368 20 30 EEEDLO Cc1nsc(N[C@@H](C)CN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1C#N ZINC001120776057 1309742220 /nfs/dbraw/zinc/74/22/20/1309742220.db2.gz VDRBYAALDYHLRV-MNOVXSKESA-N 1 2 346.460 2.184 20 30 EEEDLO Cc1nsc(N[C@@H](C)CN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1C#N ZINC001120776057 1309742226 /nfs/dbraw/zinc/74/22/26/1309742226.db2.gz VDRBYAALDYHLRV-MNOVXSKESA-N 1 2 346.460 2.184 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001121595702 1310063459 /nfs/dbraw/zinc/06/34/59/1310063459.db2.gz VWBNGDUCETTXPD-OAGGEKHMSA-N 1 2 331.464 2.092 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001121595702 1310063467 /nfs/dbraw/zinc/06/34/67/1310063467.db2.gz VWBNGDUCETTXPD-OAGGEKHMSA-N 1 2 331.464 2.092 20 30 EEEDLO C=C1CCN(c2nnc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)n2CC)CC1 ZINC001121804975 1310138268 /nfs/dbraw/zinc/13/82/68/1310138268.db2.gz YRKMCNSTSCIWKI-HZPDHXFCSA-N 1 2 331.464 2.380 20 30 EEEDLO C=C1CCN(c2nnc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)n2CC)CC1 ZINC001121804975 1310138275 /nfs/dbraw/zinc/13/82/75/1310138275.db2.gz YRKMCNSTSCIWKI-HZPDHXFCSA-N 1 2 331.464 2.380 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC001123281972 1310513304 /nfs/dbraw/zinc/51/33/04/1310513304.db2.gz YAJIONSAHNVVPH-OLZOCXBDSA-N 1 2 342.447 2.367 20 30 EEEDLO C=CCCNC(=S)N1CCC2(CC1)c1[nH+]cc(C)n1CCN2CC ZINC001247612888 1310646076 /nfs/dbraw/zinc/64/60/76/1310646076.db2.gz KJVJPTSLPSTLEN-UHFFFAOYSA-N 1 2 347.532 2.269 20 30 EEEDLO C=C(C)COc1ccccc1C[NH+]1CCN(c2ncncn2)CC1 ZINC001138665915 1314641717 /nfs/dbraw/zinc/64/17/17/1314641717.db2.gz CICSGCPKZUGDSM-UHFFFAOYSA-N 1 2 325.416 2.149 20 30 EEEDLO CCCc1nc(C[NH2+][C@@H]2C[C@@H](NC(=O)C#CC(C)C)C23CCC3)no1 ZINC001202866137 1314666902 /nfs/dbraw/zinc/66/69/02/1314666902.db2.gz HOMFKJVDSRZYSM-HUUCEWRRSA-N 1 2 344.459 2.199 20 30 EEEDLO N#Cc1cc(F)cc(C[NH+]2CCC(NC(=O)C(F)(F)F)CC2)c1 ZINC001139874936 1314782676 /nfs/dbraw/zinc/78/26/76/1314782676.db2.gz BNNGXGSEWNUNQT-UHFFFAOYSA-N 1 2 329.297 2.340 20 30 EEEDLO COc1ccc2n[nH]c(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)c2c1 ZINC001140069122 1314808441 /nfs/dbraw/zinc/80/84/41/1314808441.db2.gz KGIFFELKRCSMJZ-UHFFFAOYSA-N 1 2 348.410 2.160 20 30 EEEDLO CC(C)(C)OC(=O)NC1CC2(C1)C[NH+](Cc1ccc(C#N)nc1)C2 ZINC001140544707 1314902912 /nfs/dbraw/zinc/90/29/12/1314902912.db2.gz ZZUSUUWNUQFYGC-UHFFFAOYSA-N 1 2 328.416 2.442 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccccc2I)C1 ZINC000843425179 1315912654 /nfs/dbraw/zinc/91/26/54/1315912654.db2.gz GTNJFLXMKCHNQL-CYBMUJFWSA-N 1 2 342.180 2.142 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccccc2I)C1 ZINC000843425179 1315912657 /nfs/dbraw/zinc/91/26/57/1315912657.db2.gz GTNJFLXMKCHNQL-CYBMUJFWSA-N 1 2 342.180 2.142 20 30 EEEDLO CC(C)C#CC(=O)NC[C@H]1C[N@H+](Cc2cccc(Cl)n2)CCCO1 ZINC001149673482 1316011351 /nfs/dbraw/zinc/01/13/51/1316011351.db2.gz MUWXKLKIXJVKCR-INIZCTEOSA-N 1 2 349.862 2.102 20 30 EEEDLO CC(C)C#CC(=O)NC[C@H]1C[N@@H+](Cc2cccc(Cl)n2)CCCO1 ZINC001149673482 1316011354 /nfs/dbraw/zinc/01/13/54/1316011354.db2.gz MUWXKLKIXJVKCR-INIZCTEOSA-N 1 2 349.862 2.102 20 30 EEEDLO CC[N@H+](Cc1ncc(C2CC2)o1)[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 ZINC001152854857 1316734692 /nfs/dbraw/zinc/73/46/92/1316734692.db2.gz KJSNORUURWMSKI-GFCCVEGCSA-N 1 2 341.415 2.392 20 30 EEEDLO CC[N@@H+](Cc1ncc(C2CC2)o1)[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 ZINC001152854857 1316734694 /nfs/dbraw/zinc/73/46/94/1316734694.db2.gz KJSNORUURWMSKI-GFCCVEGCSA-N 1 2 341.415 2.392 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)c2cccn3c(Br)cnc23)CC1 ZINC001153223893 1316794219 /nfs/dbraw/zinc/79/42/19/1316794219.db2.gz FIEKNFIFVUULTA-UHFFFAOYSA-N 1 2 349.232 2.041 20 30 EEEDLO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cn(CC)nn1 ZINC001153569877 1316845312 /nfs/dbraw/zinc/84/53/12/1316845312.db2.gz CMASXSSQERWHQT-OAHLLOKOSA-N 1 2 333.480 2.393 20 30 EEEDLO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1cn(CC)nn1 ZINC001153569877 1316845315 /nfs/dbraw/zinc/84/53/15/1316845315.db2.gz CMASXSSQERWHQT-OAHLLOKOSA-N 1 2 333.480 2.393 20 30 EEEDLO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cnn2ccc(C#N)cc12 ZINC001249106728 1317003429 /nfs/dbraw/zinc/00/34/29/1317003429.db2.gz LUOHYDASCWGDMZ-MRXNPFEDSA-N 1 2 325.416 2.087 20 30 EEEDLO CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1cnn2ccc(C#N)cc12 ZINC001249106728 1317003438 /nfs/dbraw/zinc/00/34/38/1317003438.db2.gz LUOHYDASCWGDMZ-MRXNPFEDSA-N 1 2 325.416 2.087 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2cn(CC)nn2)CC1 ZINC001155028044 1317424824 /nfs/dbraw/zinc/42/48/24/1317424824.db2.gz JTFLNJWMWZZHMI-OAHLLOKOSA-N 1 2 333.480 2.371 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H](C)[N@H+](CC)Cc2cn(CC)nn2)CC1 ZINC001155028044 1317424825 /nfs/dbraw/zinc/42/48/25/1317424825.db2.gz JTFLNJWMWZZHMI-OAHLLOKOSA-N 1 2 333.480 2.371 20 30 EEEDLO C=CCOCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1ncccn1 ZINC001157706045 1318809509 /nfs/dbraw/zinc/80/95/09/1318809509.db2.gz SHFXAGHBEAAKAG-HZPDHXFCSA-N 1 2 332.448 2.053 20 30 EEEDLO C=CCOCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)c1ncccn1 ZINC001157706045 1318809519 /nfs/dbraw/zinc/80/95/19/1318809519.db2.gz SHFXAGHBEAAKAG-HZPDHXFCSA-N 1 2 332.448 2.053 20 30 EEEDLO C=CCCOCCCCC(=O)NCCC[NH2+][C@@H](C)c1noc(C)n1 ZINC001157931936 1318937666 /nfs/dbraw/zinc/93/76/66/1318937666.db2.gz CRZOVZDITLYGAP-AWEZNQCLSA-N 1 2 338.452 2.298 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc(C)cs1 ZINC001157946400 1318942080 /nfs/dbraw/zinc/94/20/80/1318942080.db2.gz ZUZUCDBUCYHCQO-JKSUJKDBSA-N 1 2 349.500 2.303 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc(C)cs1 ZINC001157946400 1318942083 /nfs/dbraw/zinc/94/20/83/1318942083.db2.gz ZUZUCDBUCYHCQO-JKSUJKDBSA-N 1 2 349.500 2.303 20 30 EEEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(=O)Nc1ccon1 ZINC001158011662 1318971180 /nfs/dbraw/zinc/97/11/80/1318971180.db2.gz JYMLQZOSLPVJLJ-OAHLLOKOSA-N 1 2 348.447 2.282 20 30 EEEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(=O)Nc1ccon1 ZINC001158011662 1318971182 /nfs/dbraw/zinc/97/11/82/1318971182.db2.gz JYMLQZOSLPVJLJ-OAHLLOKOSA-N 1 2 348.447 2.282 20 30 EEEDLO COc1cnc(N2CCN(c3[nH+]ccc4ccc(C#N)cc43)CC2)nc1 ZINC001158062362 1318990506 /nfs/dbraw/zinc/99/05/06/1318990506.db2.gz ILIRKVZKSXOOOB-UHFFFAOYSA-N 1 2 346.394 2.232 20 30 EEEDLO COCC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC001158506953 1319274797 /nfs/dbraw/zinc/27/47/97/1319274797.db2.gz CHKIFEDKFFMFRF-MRXNPFEDSA-N 1 2 346.475 2.109 20 30 EEEDLO COCC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC001158506953 1319274801 /nfs/dbraw/zinc/27/48/01/1319274801.db2.gz CHKIFEDKFFMFRF-MRXNPFEDSA-N 1 2 346.475 2.109 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)c2cn(C)c(C)cc2=O)CC1 ZINC001160416253 1320158759 /nfs/dbraw/zinc/15/87/59/1320158759.db2.gz MYTPOHZDXCCJEP-UHFFFAOYSA-N 1 2 349.862 2.198 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)c2cn(C)c(C)cc2=O)CC1 ZINC001160416253 1320158762 /nfs/dbraw/zinc/15/87/62/1320158762.db2.gz MYTPOHZDXCCJEP-UHFFFAOYSA-N 1 2 349.862 2.198 20 30 EEEDLO CC#CC[N@H+]1CC=C(CCNC(=O)c2[nH]nc3c2CCCC3)CC1 ZINC001160574565 1320203262 /nfs/dbraw/zinc/20/32/62/1320203262.db2.gz XBFIWQKMXPFCKR-UHFFFAOYSA-N 1 2 326.444 2.064 20 30 EEEDLO CC#CC[N@@H+]1CC=C(CCNC(=O)c2[nH]nc3c2CCCC3)CC1 ZINC001160574565 1320203266 /nfs/dbraw/zinc/20/32/66/1320203266.db2.gz XBFIWQKMXPFCKR-UHFFFAOYSA-N 1 2 326.444 2.064 20 30 EEEDLO CC#CC[N@H+]1CC=C(CCNC(=O)c2n[nH]nc2-c2ccccc2)CC1 ZINC001161963789 1320698468 /nfs/dbraw/zinc/69/84/68/1320698468.db2.gz STRTYTSPQKHWAK-UHFFFAOYSA-N 1 2 349.438 2.247 20 30 EEEDLO CC#CC[N@@H+]1CC=C(CCNC(=O)c2n[nH]nc2-c2ccccc2)CC1 ZINC001161963789 1320698473 /nfs/dbraw/zinc/69/84/73/1320698473.db2.gz STRTYTSPQKHWAK-UHFFFAOYSA-N 1 2 349.438 2.247 20 30 EEEDLO C#C[C@H](C)Nc1[nH+]cnc2c1ccn2S(=O)(=O)c1ccccc1 ZINC001163159483 1321054519 /nfs/dbraw/zinc/05/45/19/1321054519.db2.gz GXDURKKLXVTYQZ-LBPRGKRZSA-N 1 2 326.381 2.102 20 30 EEEDLO CO[C@@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206524659 1323522142 /nfs/dbraw/zinc/52/21/42/1323522142.db2.gz IFXXWNIZZRSGTP-IIYDPXPESA-N 1 2 333.407 2.059 20 30 EEEDLO CO[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206524659 1323522144 /nfs/dbraw/zinc/52/21/44/1323522144.db2.gz IFXXWNIZZRSGTP-IIYDPXPESA-N 1 2 333.407 2.059 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc(C3CC3)no2)C[C@H]1C ZINC001206912470 1323695292 /nfs/dbraw/zinc/69/52/92/1323695292.db2.gz NJTHNBNYAMIYHV-UMVBOHGHSA-N 1 2 330.432 2.248 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc(C3CC3)no2)C[C@H]1C ZINC001206912470 1323695299 /nfs/dbraw/zinc/69/52/99/1323695299.db2.gz NJTHNBNYAMIYHV-UMVBOHGHSA-N 1 2 330.432 2.248 20 30 EEEDLO Cn1cc(C[N@@H+]2CCn3cnc(COCC4CC4)c3C2)cc1C#N ZINC001207104665 1323850891 /nfs/dbraw/zinc/85/08/91/1323850891.db2.gz GMDBCQUEALLCKH-UHFFFAOYSA-N 1 2 325.416 2.036 20 30 EEEDLO Cn1cc(C[N@H+]2CCn3cnc(COCC4CC4)c3C2)cc1C#N ZINC001207104665 1323850897 /nfs/dbraw/zinc/85/08/97/1323850897.db2.gz GMDBCQUEALLCKH-UHFFFAOYSA-N 1 2 325.416 2.036 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2ccn(CC)n2)C[C@H]1C ZINC001208150026 1324338789 /nfs/dbraw/zinc/33/87/89/1324338789.db2.gz NBYXOQRWRJHGGT-SZVBFZGTSA-N 1 2 348.491 2.068 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(CC)n2)C[C@H]1C ZINC001208150026 1324338797 /nfs/dbraw/zinc/33/87/97/1324338797.db2.gz NBYXOQRWRJHGGT-SZVBFZGTSA-N 1 2 348.491 2.068 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC001208318509 1324420939 /nfs/dbraw/zinc/42/09/39/1324420939.db2.gz ZFLJJDMMATVTBZ-CHWSQXEVSA-N 1 2 344.415 2.478 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nnc(-c3ccco3)o2)C[C@H]1C ZINC001208318509 1324420942 /nfs/dbraw/zinc/42/09/42/1324420942.db2.gz ZFLJJDMMATVTBZ-CHWSQXEVSA-N 1 2 344.415 2.478 20 30 EEEDLO C=CCCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001316610413 1325003370 /nfs/dbraw/zinc/00/33/70/1325003370.db2.gz IXVOZXCZKWNHJQ-KRWDZBQOSA-N 1 2 345.418 2.323 20 30 EEEDLO C=CCCOCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001316610413 1325003375 /nfs/dbraw/zinc/00/33/75/1325003375.db2.gz IXVOZXCZKWNHJQ-KRWDZBQOSA-N 1 2 345.418 2.323 20 30 EEEDLO Cc1ccccc1-c1cnc(C[N@@H+](C)CCNC(=O)[C@@H](C)C#N)o1 ZINC001492216615 1331092809 /nfs/dbraw/zinc/09/28/09/1331092809.db2.gz DVXKPSYRNLXMII-AWEZNQCLSA-N 1 2 326.400 2.358 20 30 EEEDLO Cc1ccccc1-c1cnc(C[N@H+](C)CCNC(=O)[C@@H](C)C#N)o1 ZINC001492216615 1331092814 /nfs/dbraw/zinc/09/28/14/1331092814.db2.gz DVXKPSYRNLXMII-AWEZNQCLSA-N 1 2 326.400 2.358 20 30 EEEDLO Cc1ccnc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c1C#N ZINC001323716122 1333522746 /nfs/dbraw/zinc/52/27/46/1333522746.db2.gz ULTLLGOZFMJTHP-UHFFFAOYSA-N 1 2 337.383 2.492 20 30 EEEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC001335589677 1336398611 /nfs/dbraw/zinc/39/86/11/1336398611.db2.gz LIYZTKFSVRTWQD-LIRRHRJNSA-N 1 2 331.460 2.426 20 30 EEEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC001335589677 1336398613 /nfs/dbraw/zinc/39/86/13/1336398613.db2.gz LIYZTKFSVRTWQD-LIRRHRJNSA-N 1 2 331.460 2.426 20 30 EEEDLO C=CC1CCN(c2nnc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)n2C)CC1 ZINC001338507726 1336870087 /nfs/dbraw/zinc/87/00/87/1336870087.db2.gz WMHHYDDAJAUNQL-HOTGVXAUSA-N 1 2 331.464 2.143 20 30 EEEDLO C=CC1CCN(c2nnc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)n2C)CC1 ZINC001338507726 1336870090 /nfs/dbraw/zinc/87/00/90/1336870090.db2.gz WMHHYDDAJAUNQL-HOTGVXAUSA-N 1 2 331.464 2.143 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)CC(F)(F)F ZINC001340204374 1337136983 /nfs/dbraw/zinc/13/69/83/1337136983.db2.gz DSDIHAQBTNLAKG-GFCCVEGCSA-N 1 2 347.385 2.244 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)CC(F)(F)F ZINC001340204374 1337136984 /nfs/dbraw/zinc/13/69/84/1337136984.db2.gz DSDIHAQBTNLAKG-GFCCVEGCSA-N 1 2 347.385 2.244 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@H](O)CC3CCCCC3)n2CC)CC1 ZINC001352212944 1337906249 /nfs/dbraw/zinc/90/62/49/1337906249.db2.gz MWXMMXQVEUMXQI-QGZVFWFLSA-N 1 2 345.491 2.057 20 30 EEEDLO O=C(NCC1CC([NH2+]CC#Cc2ccccc2)C1)C(F)C(F)(F)F ZINC001100348748 1338293329 /nfs/dbraw/zinc/29/33/29/1338293329.db2.gz DBXDYYLTDFFFOV-NRXISQOPSA-N 1 2 342.336 2.423 20 30 EEEDLO O=C(NCC1CC([NH2+]CC#Cc2ccccc2)C1)[C@H](F)C(F)(F)F ZINC001100348748 1338293331 /nfs/dbraw/zinc/29/33/31/1338293331.db2.gz DBXDYYLTDFFFOV-NRXISQOPSA-N 1 2 342.336 2.423 20 30 EEEDLO C#CCCCCCC(=O)NCC1CC([NH2+]Cc2noc(CC)n2)C1 ZINC001100570247 1338515421 /nfs/dbraw/zinc/51/54/21/1338515421.db2.gz KNJWSWQSNIBFKA-UHFFFAOYSA-N 1 2 332.448 2.200 20 30 EEEDLO Cc1ccc(OCC[NH+]2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)cc1 ZINC001434858444 1341971019 /nfs/dbraw/zinc/97/10/19/1341971019.db2.gz VUBDXBUEUNNNLH-UHFFFAOYSA-N 1 2 338.411 2.032 20 30 EEEDLO C=C(Br)C[NH2+][C@H]1C[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001436386431 1342064787 /nfs/dbraw/zinc/06/47/87/1342064787.db2.gz NHCJOKCEPPDYLW-CIUDSAMLSA-N 1 2 347.150 2.280 20 30 EEEDLO C=C(Br)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001436386431 1342064794 /nfs/dbraw/zinc/06/47/94/1342064794.db2.gz NHCJOKCEPPDYLW-CIUDSAMLSA-N 1 2 347.150 2.280 20 30 EEEDLO N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CSC[NH2+]3)cn2)cc1 ZINC001580071254 1344464079 /nfs/dbraw/zinc/46/40/79/1344464079.db2.gz AWECOPMQQMORIJ-AWEZNQCLSA-N 1 2 326.381 2.347 20 30 EEEDLO C#C[C@H]1CCCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC001588331677 1348889538 /nfs/dbraw/zinc/88/95/38/1348889538.db2.gz CDFUWZJMIGVWPO-ZDUSSCGKSA-N 1 2 333.342 2.456 20 30 EEEDLO C#C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC001588331677 1348889542 /nfs/dbraw/zinc/88/95/42/1348889542.db2.gz CDFUWZJMIGVWPO-ZDUSSCGKSA-N 1 2 333.342 2.456 20 30 EEEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001592671836 1349704197 /nfs/dbraw/zinc/70/41/97/1349704197.db2.gz YHSSGGPABWOGQZ-IBGZPJMESA-N 1 2 345.410 2.319 20 30 EEEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001592671836 1349704203 /nfs/dbraw/zinc/70/42/03/1349704203.db2.gz YHSSGGPABWOGQZ-IBGZPJMESA-N 1 2 345.410 2.319 20 30 EEEDLO CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(C)(C#N)CC1 ZINC001646718751 1352943654 /nfs/dbraw/zinc/94/36/54/1352943654.db2.gz XFGMLUYRKZRQPV-OAHLLOKOSA-N 1 2 346.479 2.210 20 30 EEEDLO CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(C)(C#N)CC1 ZINC001646718751 1352943658 /nfs/dbraw/zinc/94/36/58/1352943658.db2.gz XFGMLUYRKZRQPV-OAHLLOKOSA-N 1 2 346.479 2.210 20 30 EEEDLO Cn1c[nH+]cc1C1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC001650254408 1353799616 /nfs/dbraw/zinc/79/96/16/1353799616.db2.gz OKHKOWUOZHSIIN-SFHVURJKSA-N 1 2 347.422 2.380 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC001665463004 1355313612 /nfs/dbraw/zinc/31/36/12/1355313612.db2.gz NRLIXRQLXGIIBE-SFHVURJKSA-N 1 2 347.503 2.394 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC001665463004 1355313618 /nfs/dbraw/zinc/31/36/18/1355313618.db2.gz NRLIXRQLXGIIBE-SFHVURJKSA-N 1 2 347.503 2.394 20 30 EEEDLO Cc1cc(C)c(C(=O)NC[C@@H](NC(=O)[C@@H](C)C#N)C(C)C)c(C)[nH+]1 ZINC001388930253 1387816006 /nfs/dbraw/zinc/81/60/06/1387816006.db2.gz GWAHTFMZSBYZDW-SWLSCSKDSA-N 1 2 330.432 2.037 20 30 EEEDLO C=CC[C@@](C)(NC(=O)c1cccc(-c2c[nH+]cn2C)c1)C(=O)OC ZINC001194927896 1368496458 /nfs/dbraw/zinc/49/64/58/1368496458.db2.gz YEADWNPCXLMVLA-GOSISDBHSA-N 1 2 327.384 2.325 20 30 EEEDLO CCCOCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195159654 1368504773 /nfs/dbraw/zinc/50/47/73/1368504773.db2.gz QMOLKVHCSNULEF-UHFFFAOYSA-N 1 2 333.407 2.158 20 30 EEEDLO CCCOCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001195159654 1368504776 /nfs/dbraw/zinc/50/47/76/1368504776.db2.gz QMOLKVHCSNULEF-UHFFFAOYSA-N 1 2 333.407 2.158 20 30 EEEDLO C#CCCCCC(=O)N1CCC[N@@H+](Cc2cc(OC)ns2)CC1 ZINC001195541284 1368551405 /nfs/dbraw/zinc/55/14/05/1368551405.db2.gz QZJBCOIHPYYSAW-UHFFFAOYSA-N 1 2 335.473 2.380 20 30 EEEDLO C#CCCCCC(=O)N1CCC[N@H+](Cc2cc(OC)ns2)CC1 ZINC001195541284 1368551411 /nfs/dbraw/zinc/55/14/11/1368551411.db2.gz QZJBCOIHPYYSAW-UHFFFAOYSA-N 1 2 335.473 2.380 20 30 EEEDLO C#CCCCCC(=O)N1CCC[N@@H+](CC(=O)N[C@@H](C)CCC)CC1 ZINC001195562780 1368558230 /nfs/dbraw/zinc/55/82/30/1368558230.db2.gz LZTNKXHFTJVUPX-KRWDZBQOSA-N 1 2 335.492 2.019 20 30 EEEDLO C#CCCCCC(=O)N1CCC[N@H+](CC(=O)N[C@@H](C)CCC)CC1 ZINC001195562780 1368558234 /nfs/dbraw/zinc/55/82/34/1368558234.db2.gz LZTNKXHFTJVUPX-KRWDZBQOSA-N 1 2 335.492 2.019 20 30 EEEDLO C#CCCCCC(=O)N1CCC[N@@H+](CC(=O)N[C@H](C)CCC)CC1 ZINC001195562781 1368558570 /nfs/dbraw/zinc/55/85/70/1368558570.db2.gz LZTNKXHFTJVUPX-QGZVFWFLSA-N 1 2 335.492 2.019 20 30 EEEDLO C#CCCCCC(=O)N1CCC[N@H+](CC(=O)N[C@H](C)CCC)CC1 ZINC001195562781 1368558576 /nfs/dbraw/zinc/55/85/76/1368558576.db2.gz LZTNKXHFTJVUPX-QGZVFWFLSA-N 1 2 335.492 2.019 20 30 EEEDLO C=CCN1CC2(CCC1=O)CC[NH+](CC(=O)c1cccc(O)c1)CC2 ZINC001273787848 1368700758 /nfs/dbraw/zinc/70/07/58/1368700758.db2.gz GWRARVCCGPCKSG-UHFFFAOYSA-N 1 2 342.439 2.466 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC(C)=C(C)C1)C2 ZINC001110586374 1368987366 /nfs/dbraw/zinc/98/73/66/1368987366.db2.gz YKOYAXBSJAVNMO-MLHJIOFPSA-N 1 2 345.487 2.147 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC(C)=C(C)C1)C2 ZINC001110586374 1368987373 /nfs/dbraw/zinc/98/73/73/1368987373.db2.gz YKOYAXBSJAVNMO-MLHJIOFPSA-N 1 2 345.487 2.147 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(C)c1C)C2 ZINC001110591809 1369091671 /nfs/dbraw/zinc/09/16/71/1369091671.db2.gz APGXRXKBRVVPQL-BMFZPTHFSA-N 1 2 347.484 2.002 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(C)c1C)C2 ZINC001110591809 1369091678 /nfs/dbraw/zinc/09/16/78/1369091678.db2.gz APGXRXKBRVVPQL-BMFZPTHFSA-N 1 2 347.484 2.002 20 30 EEEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc(C)n(CC(=O)N(C)C)c2=S)C1 ZINC000853536904 1369348605 /nfs/dbraw/zinc/34/86/05/1369348605.db2.gz KFBOLGUAKGHZGA-CQSZACIVSA-N 1 2 337.493 2.056 20 30 EEEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc(C)n(CC(=O)N(C)C)c2=S)C1 ZINC000853536904 1369348608 /nfs/dbraw/zinc/34/86/08/1369348608.db2.gz KFBOLGUAKGHZGA-CQSZACIVSA-N 1 2 337.493 2.056 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)CCCN(C)C(=O)[C@@H](C)C#N)c(C)[nH+]1 ZINC001067913563 1370084430 /nfs/dbraw/zinc/08/44/30/1370084430.db2.gz SGUCSEPHDFSTAN-ZDUSSCGKSA-N 1 2 330.432 2.087 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001070933157 1370371083 /nfs/dbraw/zinc/37/10/83/1370371083.db2.gz XKKQPKANBLPPHG-MRXNPFEDSA-N 1 2 344.459 2.127 20 30 EEEDLO C=C(Cl)CN1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001071628798 1370538839 /nfs/dbraw/zinc/53/88/39/1370538839.db2.gz SXZZQWUSWDTSHI-STQMWFEESA-N 1 2 340.855 2.071 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H](CCNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001103608818 1371036835 /nfs/dbraw/zinc/03/68/35/1371036835.db2.gz OASXPWXBLHLUNC-HNNXBMFYSA-N 1 2 346.479 2.253 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1nnc(CC)[nH]1)C2 ZINC001111650374 1371200568 /nfs/dbraw/zinc/20/05/68/1371200568.db2.gz OVIYKHREFQZTJS-GLJUWKHASA-N 1 2 331.464 2.365 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1nnc(CC)[nH]1)C2 ZINC001111650374 1371200576 /nfs/dbraw/zinc/20/05/76/1371200576.db2.gz OVIYKHREFQZTJS-GLJUWKHASA-N 1 2 331.464 2.365 20 30 EEEDLO C[C@@H](CCCNc1ncccc1C#N)NC(=O)CCc1c[nH+]cn1C ZINC001114976900 1371467630 /nfs/dbraw/zinc/46/76/30/1371467630.db2.gz MBTHWKXMPSYZHT-AWEZNQCLSA-N 1 2 340.431 2.016 20 30 EEEDLO Cc1nsc(NCCC[C@H](C)NC(=O)CCn2cc[nH+]c2)c1C#N ZINC001115037422 1371494960 /nfs/dbraw/zinc/49/49/60/1371494960.db2.gz QHADFSLBOQNSKL-LBPRGKRZSA-N 1 2 346.460 2.307 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4nnc(C)o4)C[C@H]32)CCCC1 ZINC001115365123 1371583771 /nfs/dbraw/zinc/58/37/71/1371583771.db2.gz QVKCGPQANZGSGT-FOLVSLTJSA-N 1 2 330.432 2.061 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4nnc(C)o4)C[C@H]32)CCCC1 ZINC001115365123 1371583776 /nfs/dbraw/zinc/58/37/76/1371583776.db2.gz QVKCGPQANZGSGT-FOLVSLTJSA-N 1 2 330.432 2.061 20 30 EEEDLO C=C[C@H](COC)NC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001116619021 1371730335 /nfs/dbraw/zinc/73/03/35/1371730335.db2.gz HIJTVNJKLWJZPP-NVXWUHKLSA-N 1 2 347.459 2.284 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCCN(c2[nH+]cnc3c2cnn3C)[C@@H]1C ZINC001123637455 1372165401 /nfs/dbraw/zinc/16/54/01/1372165401.db2.gz UBEBNSZRZMMEOU-UKRRQHHQSA-N 1 2 342.447 2.193 20 30 EEEDLO C=CCONC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000838711764 1372859977 /nfs/dbraw/zinc/85/99/77/1372859977.db2.gz VDGHPBSYDRQILJ-OAHLLOKOSA-N 1 2 333.432 2.419 20 30 EEEDLO C=CCONC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000838711764 1372859984 /nfs/dbraw/zinc/85/99/84/1372859984.db2.gz VDGHPBSYDRQILJ-OAHLLOKOSA-N 1 2 333.432 2.419 20 30 EEEDLO CCn1ncc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000838809373 1372865224 /nfs/dbraw/zinc/86/52/24/1372865224.db2.gz FMTJELBJKYZWSV-UHFFFAOYSA-N 1 2 338.415 2.020 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCC1CC([NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC001100596947 1373092339 /nfs/dbraw/zinc/09/23/39/1373092339.db2.gz KFBRZPYBZIVWRJ-WLYUNCDWSA-N 1 2 348.495 2.015 20 30 EEEDLO CN(C)c1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H](CC#N)C3)C2=O)cc1 ZINC000849180416 1373247576 /nfs/dbraw/zinc/24/75/76/1373247576.db2.gz JHABWIVWPBUUJC-YOEHRIQHSA-N 1 2 340.427 2.010 20 30 EEEDLO CN(C)c1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@@H](CC#N)C3)C2=O)cc1 ZINC000849180416 1373247578 /nfs/dbraw/zinc/24/75/78/1373247578.db2.gz JHABWIVWPBUUJC-YOEHRIQHSA-N 1 2 340.427 2.010 20 30 EEEDLO COCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccccc2C#N)CCC1 ZINC001365793873 1373760236 /nfs/dbraw/zinc/76/02/36/1373760236.db2.gz NJHDZORPOLZHLS-SFHVURJKSA-N 1 2 341.455 2.408 20 30 EEEDLO COCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccccc2C#N)CCC1 ZINC001365793873 1373760240 /nfs/dbraw/zinc/76/02/40/1373760240.db2.gz NJHDZORPOLZHLS-SFHVURJKSA-N 1 2 341.455 2.408 20 30 EEEDLO Cc1ccc(-c2nnc([C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)C#N)o2)cc1 ZINC001366516159 1373931201 /nfs/dbraw/zinc/93/12/01/1373931201.db2.gz AHECIGSMWKPKTG-KBPBESRZSA-N 1 2 341.415 2.314 20 30 EEEDLO Cc1ccc(-c2nnc([C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)C#N)o2)cc1 ZINC001366516159 1373931203 /nfs/dbraw/zinc/93/12/03/1373931203.db2.gz AHECIGSMWKPKTG-KBPBESRZSA-N 1 2 341.415 2.314 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC001377366124 1379172877 /nfs/dbraw/zinc/17/28/77/1379172877.db2.gz BLBQVXOVDYHXQM-LBPRGKRZSA-N 1 2 340.899 2.406 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC001377366124 1379172880 /nfs/dbraw/zinc/17/28/80/1379172880.db2.gz BLBQVXOVDYHXQM-LBPRGKRZSA-N 1 2 340.899 2.406 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)c1nocc1C ZINC001377688222 1379445283 /nfs/dbraw/zinc/44/52/83/1379445283.db2.gz OTEMTEISDDSWPF-GFCCVEGCSA-N 1 2 342.237 2.428 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1nocc1C ZINC001377688222 1379445288 /nfs/dbraw/zinc/44/52/88/1379445288.db2.gz OTEMTEISDDSWPF-GFCCVEGCSA-N 1 2 342.237 2.428 20 30 EEEDLO CC#CCCCC(=O)NC[C@@H]1CCC[N@H+](Cc2nnc(C)s2)C1 ZINC001752784837 1406402728 /nfs/dbraw/zinc/40/27/28/1406402728.db2.gz KPVXKADBQRMSPZ-HNNXBMFYSA-N 1 2 334.489 2.368 20 30 EEEDLO CC#CCCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2nnc(C)s2)C1 ZINC001752784837 1406402742 /nfs/dbraw/zinc/40/27/42/1406402742.db2.gz KPVXKADBQRMSPZ-HNNXBMFYSA-N 1 2 334.489 2.368 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCn2cc(Cl)cn2)C1 ZINC001394275374 1390666650 /nfs/dbraw/zinc/66/66/50/1390666650.db2.gz YMMWVIKOIKIKND-NSHDSACASA-N 1 2 331.247 2.116 20 30 EEEDLO C[C@H](C[N@H+](C)Cc1nnc(-c2cccs2)o1)NC(=O)C#CC1CC1 ZINC001754311840 1406887823 /nfs/dbraw/zinc/88/78/23/1406887823.db2.gz SRFYVPHGLIPUQN-GFCCVEGCSA-N 1 2 344.440 2.148 20 30 EEEDLO C[C@H](C[N@@H+](C)Cc1nnc(-c2cccs2)o1)NC(=O)C#CC1CC1 ZINC001754311840 1406887830 /nfs/dbraw/zinc/88/78/30/1406887830.db2.gz SRFYVPHGLIPUQN-GFCCVEGCSA-N 1 2 344.440 2.148 20 30 EEEDLO C#CCN(C(=O)[C@H](C)[C@H](C)COC)C1CC[NH+](Cc2ccon2)CC1 ZINC001754639029 1406937105 /nfs/dbraw/zinc/93/71/05/1406937105.db2.gz TUGVBUDNDDQTNE-HZPDHXFCSA-N 1 2 347.459 2.019 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCC[N@H+](Cc2nnnn2C2CC2)CC1 ZINC001755028028 1407054561 /nfs/dbraw/zinc/05/45/61/1407054561.db2.gz JTQVDBRUDUQCBP-CABCVRRESA-N 1 2 346.479 2.081 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCC[N@@H+](Cc2nnnn2C2CC2)CC1 ZINC001755028028 1407054567 /nfs/dbraw/zinc/05/45/67/1407054567.db2.gz JTQVDBRUDUQCBP-CABCVRRESA-N 1 2 346.479 2.081 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)Oc1ccccc1F)CO2 ZINC001755061635 1407071311 /nfs/dbraw/zinc/07/13/11/1407071311.db2.gz NGKMCRAVSGXLDO-CABCVRRESA-N 1 2 348.418 2.129 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H](C)[N@H+](C)Cc2cnc(Cl)s2)c1 ZINC001755315268 1407314199 /nfs/dbraw/zinc/31/41/99/1407314199.db2.gz MSWRIPALCXTXKS-NSHDSACASA-N 1 2 348.859 2.423 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H](C)[N@@H+](C)Cc2cnc(Cl)s2)c1 ZINC001755315268 1407314211 /nfs/dbraw/zinc/31/42/11/1407314211.db2.gz MSWRIPALCXTXKS-NSHDSACASA-N 1 2 348.859 2.423 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)C1C[NH+](CC(=O)NC2CCCCC2)C1 ZINC001755376748 1407382400 /nfs/dbraw/zinc/38/24/00/1407382400.db2.gz JGPCCKPCVLUMEL-HNNXBMFYSA-N 1 2 335.492 2.228 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](OCC)C3CCCC3)C2)C1 ZINC001755402357 1407406216 /nfs/dbraw/zinc/40/62/16/1407406216.db2.gz QUPDIBUDKWHAAY-MJGOQNOKSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](OCC)C3CCCC3)C2)C1 ZINC001755402357 1407406222 /nfs/dbraw/zinc/40/62/22/1407406222.db2.gz QUPDIBUDKWHAAY-MJGOQNOKSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC001755598989 1407670199 /nfs/dbraw/zinc/67/01/99/1407670199.db2.gz CRFKGROLNLVGLC-HNNXBMFYSA-N 1 2 341.459 2.416 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@@H](CO)[NH2+][C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001755638438 1407699098 /nfs/dbraw/zinc/69/90/98/1407699098.db2.gz UZNHYAXCTIFUEC-KGLIPLIRSA-N 1 2 349.475 2.456 20 30 EEEDLO C#CCCCCC(=O)N1C[C@@H]([NH2+]Cc2nn(C)cc2Cl)C[C@H]1C ZINC001755677244 1407724183 /nfs/dbraw/zinc/72/41/83/1407724183.db2.gz YSQZJWMCXJKMON-KGLIPLIRSA-N 1 2 336.867 2.346 20 30 EEEDLO CCCc1noc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C#CC(C)(C)C)C2)n1 ZINC001755678442 1407726008 /nfs/dbraw/zinc/72/60/08/1407726008.db2.gz KGVDJVGVXYBKDH-ZIAGYGMSSA-N 1 2 332.448 2.151 20 30 EEEDLO CC(C)C[C@H](C(=O)N[C@]12CCC[C@H]1N(CC#N)CC2)n1cc[nH+]c1 ZINC001755703720 1407754036 /nfs/dbraw/zinc/75/40/36/1407754036.db2.gz ZHJSEAOZDSDZSB-NUJGCVRESA-N 1 2 329.448 2.107 20 30 EEEDLO C/C=C(\C)C(=O)NCC[N@@H+](CCOC)Cc1ccc(C#N)cc1F ZINC001755838398 1407886899 /nfs/dbraw/zinc/88/68/99/1407886899.db2.gz QQAHFIDMLLZVFW-LNKIKWGQSA-N 1 2 333.407 2.228 20 30 EEEDLO C/C=C(\C)C(=O)NCC[N@H+](CCOC)Cc1ccc(C#N)cc1F ZINC001755838398 1407886906 /nfs/dbraw/zinc/88/69/06/1407886906.db2.gz QQAHFIDMLLZVFW-LNKIKWGQSA-N 1 2 333.407 2.228 20 30 EEEDLO CC(C)C#CC(=O)N[C@H](C)C1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC001755843554 1407893971 /nfs/dbraw/zinc/89/39/71/1407893971.db2.gz MUICMRDECIMQLW-CQSZACIVSA-N 1 2 344.459 2.323 20 30 EEEDLO C=C(C)CCC(=O)NCc1ccc(C[NH2+]Cc2cnn(C)n2)cc1F ZINC001755901378 1407976285 /nfs/dbraw/zinc/97/62/85/1407976285.db2.gz PGNYIDMZFISPOV-UHFFFAOYSA-N 1 2 345.422 2.217 20 30 EEEDLO CCCC[C@H](CNC(=O)C#CC1CC1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001756110862 1408145024 /nfs/dbraw/zinc/14/50/24/1408145024.db2.gz LZKPEDJEBSWGJK-NVXWUHKLSA-N 1 2 344.459 2.039 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CCCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001756118345 1408149292 /nfs/dbraw/zinc/14/92/92/1408149292.db2.gz BJURAOWXCYDAAK-NVXWUHKLSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CCCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001756118345 1408149296 /nfs/dbraw/zinc/14/92/96/1408149296.db2.gz BJURAOWXCYDAAK-NVXWUHKLSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CC(C)(C)CC(=O)NCCC1=CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001756879223 1409439872 /nfs/dbraw/zinc/43/98/72/1409439872.db2.gz LMEROLOTAZGMPO-UHFFFAOYSA-N 1 2 344.459 2.220 20 30 EEEDLO C=CCCC(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001756880835 1409442068 /nfs/dbraw/zinc/44/20/68/1409442068.db2.gz KIDNVSILXGQNDD-HZPDHXFCSA-N 1 2 342.443 2.144 20 30 EEEDLO C=CCCC(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001756880835 1409442072 /nfs/dbraw/zinc/44/20/72/1409442072.db2.gz KIDNVSILXGQNDD-HZPDHXFCSA-N 1 2 342.443 2.144 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001757266138 1409604966 /nfs/dbraw/zinc/60/49/66/1409604966.db2.gz VHNMFWZWQSAOPD-FVQBIDKESA-N 1 2 346.475 2.344 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001757266138 1409604975 /nfs/dbraw/zinc/60/49/75/1409604975.db2.gz VHNMFWZWQSAOPD-FVQBIDKESA-N 1 2 346.475 2.344 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001757287679 1409623105 /nfs/dbraw/zinc/62/31/05/1409623105.db2.gz GWFOFRFPQCCPGD-MRXNPFEDSA-N 1 2 340.427 2.282 20 30 EEEDLO Cc1cc(C)c(C(=O)N2CC[C@H]2CN(C)C(=O)C#CC2CC2)c(C)[nH+]1 ZINC001757289026 1409626184 /nfs/dbraw/zinc/62/61/84/1409626184.db2.gz FVUTXRKGCICADD-KRWDZBQOSA-N 1 2 339.439 2.093 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001757352017 1409682737 /nfs/dbraw/zinc/68/27/37/1409682737.db2.gz HFABPDLDZNALQX-HRCADAONSA-N 1 2 346.475 2.346 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001757352017 1409682742 /nfs/dbraw/zinc/68/27/42/1409682742.db2.gz HFABPDLDZNALQX-HRCADAONSA-N 1 2 346.475 2.346 20 30 EEEDLO C=CC(C)(C)CC(=O)NCCN(CC)c1ncnc2c1C[N@H+](C)CC2 ZINC001100626546 1410682607 /nfs/dbraw/zinc/68/26/07/1410682607.db2.gz LZOHWYBCFABLMH-UHFFFAOYSA-N 1 2 345.491 2.009 20 30 EEEDLO C=CC(C)(C)CC(=O)NCCN(CC)c1ncnc2c1C[N@@H+](C)CC2 ZINC001100626546 1410682615 /nfs/dbraw/zinc/68/26/15/1410682615.db2.gz LZOHWYBCFABLMH-UHFFFAOYSA-N 1 2 345.491 2.009 20 30 EEEDLO C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)CNc1cccc(F)c1C#N ZINC001103943519 1410767382 /nfs/dbraw/zinc/76/73/82/1410767382.db2.gz LBLXQRBDRNIXEI-GFCCVEGCSA-N 1 2 329.379 2.217 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)[nH]1)C2 ZINC001111848501 1410852605 /nfs/dbraw/zinc/85/26/05/1410852605.db2.gz JHXYSOBREYWIEN-XUWXXGDYSA-N 1 2 331.464 2.186 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)[nH]1)C2 ZINC001111848501 1410852609 /nfs/dbraw/zinc/85/26/09/1410852609.db2.gz JHXYSOBREYWIEN-XUWXXGDYSA-N 1 2 331.464 2.186 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC(O)(CNc2cc[nH+]c(C)n2)CC1 ZINC001112451794 1410927436 /nfs/dbraw/zinc/92/74/36/1410927436.db2.gz NHJMSYGCVMQWGC-ZIAGYGMSSA-N 1 2 332.448 2.009 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CC12CCC2 ZINC001032012137 782273625 /nfs/dbraw/zinc/27/36/25/782273625.db2.gz BQIDHQJAHUFFLF-SFHVURJKSA-N 1 2 326.415 2.415 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC1(NC(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001063172325 790299565 /nfs/dbraw/zinc/29/95/65/790299565.db2.gz AOWALQWLZIXKPU-UHFFFAOYSA-N 1 2 332.448 2.018 20 30 EEEDLO Cc1cc(N2CCC[C@@H](NC(=O)[C@@H](C)C#N)CC2)nc(C2CC2)[nH+]1 ZINC001111980533 761910430 /nfs/dbraw/zinc/91/04/30/761910430.db2.gz YUQSHMXMCMPLTO-SWLSCSKDSA-N 1 2 327.432 2.297 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4cc(F)ccc4o3)[C@H]2C1 ZINC001083211076 758357851 /nfs/dbraw/zinc/35/78/51/758357851.db2.gz IJQDUNBIVMTWPG-MAUKXSAKSA-N 1 2 342.370 2.120 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4cc(F)ccc4o3)[C@H]2C1 ZINC001083211076 758357861 /nfs/dbraw/zinc/35/78/61/758357861.db2.gz IJQDUNBIVMTWPG-MAUKXSAKSA-N 1 2 342.370 2.120 20 30 EEEDLO C#Cc1ccc(C(=O)NCC2(Nc3cc[nH+]c(C)n3)CCCC2)cn1 ZINC001104403903 760314728 /nfs/dbraw/zinc/31/47/28/760314728.db2.gz LINHPYNNOALBFF-UHFFFAOYSA-N 1 2 335.411 2.316 20 30 EEEDLO Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)nn1 ZINC001024435269 761356213 /nfs/dbraw/zinc/35/62/13/761356213.db2.gz RERYAQKTWSFCHA-GOSISDBHSA-N 1 2 349.438 2.441 20 30 EEEDLO Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)nn1 ZINC001024435269 761356222 /nfs/dbraw/zinc/35/62/22/761356222.db2.gz RERYAQKTWSFCHA-GOSISDBHSA-N 1 2 349.438 2.441 20 30 EEEDLO Cc1nc(O[C@H]2C[NH2+]CC2(F)F)c(C#N)c(C)c1Br ZINC001218232047 761804809 /nfs/dbraw/zinc/80/48/09/761804809.db2.gz OCIIGLKLFUSXLA-VIFPVBQESA-N 1 2 332.148 2.319 20 30 EEEDLO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](C/C(Cl)=C/Cl)CC[C@@H]2C1 ZINC001087962555 782653183 /nfs/dbraw/zinc/65/31/83/782653183.db2.gz WMAXAVIRPPDVFB-WZCIPHSXSA-N 1 2 327.255 2.499 20 30 EEEDLO O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](C/C(Cl)=C/Cl)CC[C@@H]2C1 ZINC001087962555 782653189 /nfs/dbraw/zinc/65/31/89/782653189.db2.gz WMAXAVIRPPDVFB-WZCIPHSXSA-N 1 2 327.255 2.499 20 30 EEEDLO C#CCC1(C(=O)N[C@@H](C)C[C@H](C)Nc2cc[nH+]c(C)n2)CCOCC1 ZINC001089416002 768914125 /nfs/dbraw/zinc/91/41/25/768914125.db2.gz NQGVODSVNKJJRL-GJZGRUSLSA-N 1 2 344.459 2.300 20 30 EEEDLO Cc1nsc(N[C@H](C)C[C@H](C)NC(=O)CCn2cc[nH+]c2)c1C#N ZINC001089444791 769275990 /nfs/dbraw/zinc/27/59/90/769275990.db2.gz VLEYJMLXLLVVMR-NWDGAFQWSA-N 1 2 346.460 2.305 20 30 EEEDLO CC#CCCCC(=O)N[C@H](C)C[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001089455790 769392291 /nfs/dbraw/zinc/39/22/91/769392291.db2.gz RGLLKNVTTZNZGJ-KGLIPLIRSA-N 1 2 342.447 2.252 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2coc(C3CC3)n2)C1 ZINC001032032041 782751134 /nfs/dbraw/zinc/75/11/34/782751134.db2.gz JGUHEUOTLOLJKZ-UHFFFAOYSA-N 1 2 336.395 2.285 20 30 EEEDLO Cc1ccoc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031549558 769542448 /nfs/dbraw/zinc/54/24/48/769542448.db2.gz NXVFSYAMSFTMBR-UHFFFAOYSA-N 1 2 327.359 2.461 20 30 EEEDLO N#Cc1cc(C(=O)NCC2C[NH+](Cc3sccc3Cl)C2)c[nH]1 ZINC001031622453 770335554 /nfs/dbraw/zinc/33/55/54/770335554.db2.gz KEDWKLWBVDXTGA-UHFFFAOYSA-N 1 2 334.832 2.463 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[C@@H]3C(F)F)C2)cc1F ZINC001031642315 770555423 /nfs/dbraw/zinc/55/54/23/770555423.db2.gz HRLILCITINQGOG-KBPBESRZSA-N 1 2 337.345 2.147 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)COc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000840762240 782952650 /nfs/dbraw/zinc/95/26/50/782952650.db2.gz NEOFAVGPKDEBLI-VIFPVBQESA-N 1 2 348.186 2.487 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000840762240 782952656 /nfs/dbraw/zinc/95/26/56/782952656.db2.gz NEOFAVGPKDEBLI-VIFPVBQESA-N 1 2 348.186 2.487 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001089604912 773465497 /nfs/dbraw/zinc/46/54/97/773465497.db2.gz IYWTUUDXWVCWKD-OAHLLOKOSA-N 1 2 337.851 2.293 20 30 EEEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001089604912 773465504 /nfs/dbraw/zinc/46/55/04/773465504.db2.gz IYWTUUDXWVCWKD-OAHLLOKOSA-N 1 2 337.851 2.293 20 30 EEEDLO CCN(c1ccncc1C#N)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001089709953 774638520 /nfs/dbraw/zinc/63/85/20/774638520.db2.gz STWSELIUHXGTKU-CQSZACIVSA-N 1 2 348.410 2.246 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CC(F)F)nc1C ZINC001027952657 774939112 /nfs/dbraw/zinc/93/91/12/774939112.db2.gz BKVMRNPOCNNVBH-GFCCVEGCSA-N 1 2 346.809 2.403 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(CC(F)F)nc1C ZINC001027952657 774939117 /nfs/dbraw/zinc/93/91/17/774939117.db2.gz BKVMRNPOCNNVBH-GFCCVEGCSA-N 1 2 346.809 2.403 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ncc(F)cc1F ZINC001031771091 775295754 /nfs/dbraw/zinc/29/57/54/775295754.db2.gz BBSYLZFMNNSPEU-UHFFFAOYSA-N 1 2 341.361 2.073 20 30 EEEDLO CCc1cnccc1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031797330 775835939 /nfs/dbraw/zinc/83/59/39/775835939.db2.gz OJRZNKYLDWAGAC-UHFFFAOYSA-N 1 2 340.452 2.439 20 30 EEEDLO C=CCC(CC=C)C(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001105990791 790398721 /nfs/dbraw/zinc/39/87/21/790398721.db2.gz UNUFQGQMHJDTFH-MRXNPFEDSA-N 1 2 344.459 2.320 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)sc1C ZINC000981001298 776301890 /nfs/dbraw/zinc/30/18/90/776301890.db2.gz CKLKEWAGFDARTA-UHFFFAOYSA-N 1 2 343.456 2.308 20 30 EEEDLO Cc1nc(C[N@H+]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)sc1C ZINC000981001298 776301894 /nfs/dbraw/zinc/30/18/94/776301894.db2.gz CKLKEWAGFDARTA-UHFFFAOYSA-N 1 2 343.456 2.308 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)cn2)CC1 ZINC000981185739 776735180 /nfs/dbraw/zinc/73/51/80/776735180.db2.gz DKKNAEJTDRWMGK-MSOLQXFVSA-N 1 2 347.434 2.236 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)cn2)CC1 ZINC000981185739 776735189 /nfs/dbraw/zinc/73/51/89/776735189.db2.gz DKKNAEJTDRWMGK-MSOLQXFVSA-N 1 2 347.434 2.236 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC001028061046 776916513 /nfs/dbraw/zinc/91/65/13/776916513.db2.gz OPPUEXFXGJXWEH-DZGCQCFKSA-N 1 2 347.846 2.446 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC001028061046 776916518 /nfs/dbraw/zinc/91/65/18/776916518.db2.gz OPPUEXFXGJXWEH-DZGCQCFKSA-N 1 2 347.846 2.446 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)c2nnc(C)o2)cc1 ZINC001028066540 776961533 /nfs/dbraw/zinc/96/15/33/776961533.db2.gz CYERXYSQNILDBD-CXAGYDPISA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)c2nnc(C)o2)cc1 ZINC001028066540 776961537 /nfs/dbraw/zinc/96/15/37/776961537.db2.gz CYERXYSQNILDBD-CXAGYDPISA-N 1 2 338.411 2.315 20 30 EEEDLO Cc1cc(N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)nc(C(C)C)[nH+]1 ZINC001058874594 777039229 /nfs/dbraw/zinc/03/92/29/777039229.db2.gz CXASVKTYUICXPS-AWEZNQCLSA-N 1 2 338.415 2.435 20 30 EEEDLO C[C@@H]1C[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)c(F)c3)CC2)CO1 ZINC000981485595 777497452 /nfs/dbraw/zinc/49/74/52/777497452.db2.gz FHKZKYYVSSFDSQ-PBHICJAKSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1C[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)CO1 ZINC000981485595 777497455 /nfs/dbraw/zinc/49/74/55/777497455.db2.gz FHKZKYYVSSFDSQ-PBHICJAKSA-N 1 2 345.418 2.157 20 30 EEEDLO CO[C@@H]1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000981486887 777501662 /nfs/dbraw/zinc/50/16/62/777501662.db2.gz PCDMHBHQXFRPEP-IAGOWNOFSA-N 1 2 347.484 2.469 20 30 EEEDLO CO[C@@H]1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000981486887 777501667 /nfs/dbraw/zinc/50/16/67/777501667.db2.gz PCDMHBHQXFRPEP-IAGOWNOFSA-N 1 2 347.484 2.469 20 30 EEEDLO C[C@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(F)c(C#N)c3)CC2)CO1 ZINC000981488022 777502776 /nfs/dbraw/zinc/50/27/76/777502776.db2.gz USRNTTUESKQCRL-WMLDXEAASA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)CC2)CO1 ZINC000981488022 777502780 /nfs/dbraw/zinc/50/27/80/777502780.db2.gz USRNTTUESKQCRL-WMLDXEAASA-N 1 2 345.418 2.157 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001028101050 777657898 /nfs/dbraw/zinc/65/78/98/777657898.db2.gz OJVJNLMEOZGEQF-ZIAGYGMSSA-N 1 2 336.867 2.173 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001028101050 777657903 /nfs/dbraw/zinc/65/79/03/777657903.db2.gz OJVJNLMEOZGEQF-ZIAGYGMSSA-N 1 2 336.867 2.173 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)s3)[C@@H]2C)c1 ZINC001088846603 790621576 /nfs/dbraw/zinc/62/15/76/790621576.db2.gz XDKJTODODKTDHO-CJNGLKHVSA-N 1 2 340.452 2.221 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)s3)[C@@H]2C)c1 ZINC001088846603 790621584 /nfs/dbraw/zinc/62/15/84/790621584.db2.gz XDKJTODODKTDHO-CJNGLKHVSA-N 1 2 340.452 2.221 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)C3(CF)CC3)CC2)c1 ZINC000981930223 778556725 /nfs/dbraw/zinc/55/67/25/778556725.db2.gz KNIFYLUQVJMPOA-UHFFFAOYSA-N 1 2 333.382 2.481 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)C3(CF)CC3)CC2)c1 ZINC000981930223 778556727 /nfs/dbraw/zinc/55/67/27/778556727.db2.gz KNIFYLUQVJMPOA-UHFFFAOYSA-N 1 2 333.382 2.481 20 30 EEEDLO COCCN(CCNC(=O)C#CC(C)(C)C)c1nc(C)[nH+]c(C)c1C ZINC001126338022 779463176 /nfs/dbraw/zinc/46/31/76/779463176.db2.gz TUSHQPCQKPYISG-UHFFFAOYSA-N 1 2 346.475 2.020 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ccccc2)n1 ZINC001028306417 780660145 /nfs/dbraw/zinc/66/01/45/780660145.db2.gz FTRSXIKYOPTUNV-HNNXBMFYSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ccccc2)n1 ZINC001028306417 780660150 /nfs/dbraw/zinc/66/01/50/780660150.db2.gz FTRSXIKYOPTUNV-HNNXBMFYSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc2n[nH]c(C)c2c1 ZINC001028312866 780684655 /nfs/dbraw/zinc/68/46/55/780684655.db2.gz ABRSHUHHQQRHDN-CYBMUJFWSA-N 1 2 333.823 2.213 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2n[nH]c(C)c2c1 ZINC001028312866 780684661 /nfs/dbraw/zinc/68/46/61/780684661.db2.gz ABRSHUHHQQRHDN-CYBMUJFWSA-N 1 2 333.823 2.213 20 30 EEEDLO C=C(C)CCC(=O)NCCN(CCOC)c1nc(C)[nH+]c(C)c1C ZINC001126414853 781140445 /nfs/dbraw/zinc/14/04/45/781140445.db2.gz DLTCYCOFBVPVPM-UHFFFAOYSA-N 1 2 334.464 2.327 20 30 EEEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@](C)(CC)CCCCC)C2)nn1 ZINC001105378340 781156662 /nfs/dbraw/zinc/15/66/62/781156662.db2.gz AMSZNGJQQJMQBN-IBGZPJMESA-N 1 2 345.491 2.381 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NCCN(CCOC)c1nc(C)[nH+]c(C)c1C ZINC001126483305 781372010 /nfs/dbraw/zinc/37/20/10/781372010.db2.gz NSRXGUIHJVYKGH-KBPBESRZSA-N 1 2 348.491 2.429 20 30 EEEDLO CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001211868528 781587389 /nfs/dbraw/zinc/58/73/89/781587389.db2.gz MLSXTSTULIOGNJ-IAGOWNOFSA-N 1 2 333.407 2.203 20 30 EEEDLO CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001211868528 781587395 /nfs/dbraw/zinc/58/73/95/781587395.db2.gz MLSXTSTULIOGNJ-IAGOWNOFSA-N 1 2 333.407 2.203 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCc2cccs2)C1 ZINC001131894702 783421906 /nfs/dbraw/zinc/42/19/06/783421906.db2.gz BMJNTACAVZHGLH-LSDHHAIUSA-N 1 2 349.500 2.300 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCc2cccs2)C1 ZINC001131894702 783421911 /nfs/dbraw/zinc/42/19/11/783421911.db2.gz BMJNTACAVZHGLH-LSDHHAIUSA-N 1 2 349.500 2.300 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)sc2C)C1 ZINC001131946521 783510364 /nfs/dbraw/zinc/51/03/64/783510364.db2.gz KMNSTDHVWWMVEQ-DOMZBBRYSA-N 1 2 337.489 2.432 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2nc(C)sc2C)C1 ZINC001131946521 783510369 /nfs/dbraw/zinc/51/03/69/783510369.db2.gz KMNSTDHVWWMVEQ-DOMZBBRYSA-N 1 2 337.489 2.432 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001033313873 783514351 /nfs/dbraw/zinc/51/43/51/783514351.db2.gz XVDQDEPGGGNTNB-HNNXBMFYSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001033313873 783514358 /nfs/dbraw/zinc/51/43/58/783514358.db2.gz XVDQDEPGGGNTNB-HNNXBMFYSA-N 1 2 345.834 2.166 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cncc(OC)n2)C1 ZINC001131976504 783540468 /nfs/dbraw/zinc/54/04/68/783540468.db2.gz LDCDVBOEICMQCA-JKSUJKDBSA-N 1 2 344.459 2.148 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cncc(OC)n2)C1 ZINC001131976504 783540477 /nfs/dbraw/zinc/54/04/77/783540477.db2.gz LDCDVBOEICMQCA-JKSUJKDBSA-N 1 2 344.459 2.148 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091480169 790961745 /nfs/dbraw/zinc/96/17/45/790961745.db2.gz JSMABOKXBCHPIO-DZKIICNBSA-N 1 2 342.443 2.007 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC001035394232 784436944 /nfs/dbraw/zinc/43/69/44/784436944.db2.gz JFYOXSVHOGRLJM-MJGOQNOKSA-N 1 2 344.455 2.118 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCc3cc(OC)ccc32)C1 ZINC001035394232 784436948 /nfs/dbraw/zinc/43/69/48/784436948.db2.gz JFYOXSVHOGRLJM-MJGOQNOKSA-N 1 2 344.455 2.118 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)c(Cl)cc2F)C1 ZINC001035495185 784630058 /nfs/dbraw/zinc/63/00/58/784630058.db2.gz GGQRACABXLSCMT-NSHDSACASA-N 1 2 342.773 2.072 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(F)c(Cl)cc2F)C1 ZINC001035495185 784630062 /nfs/dbraw/zinc/63/00/62/784630062.db2.gz GGQRACABXLSCMT-NSHDSACASA-N 1 2 342.773 2.072 20 30 EEEDLO O=S(=O)(c1ccc(NNC=CC(F)(F)F)[nH+]c1)N1CCCC1 ZINC000817323813 784686886 /nfs/dbraw/zinc/68/68/86/784686886.db2.gz WFELJCQGAPMSPD-UHFFFAOYSA-N 1 2 336.339 2.216 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(C3CCCC3)c2C)C1 ZINC001035572646 784707900 /nfs/dbraw/zinc/70/79/00/784707900.db2.gz CPASGRFXBKCZBW-KRWDZBQOSA-N 1 2 346.475 2.313 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnn(C3CCCC3)c2C)C1 ZINC001035572646 784707903 /nfs/dbraw/zinc/70/79/03/784707903.db2.gz CPASGRFXBKCZBW-KRWDZBQOSA-N 1 2 346.475 2.313 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccnc(C3CCCC3)n2)C1 ZINC001035561394 784735518 /nfs/dbraw/zinc/73/55/18/784735518.db2.gz ORKCUACHRSWNHQ-INIZCTEOSA-N 1 2 344.459 2.141 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccnc(C3CCCC3)n2)C1 ZINC001035561394 784735522 /nfs/dbraw/zinc/73/55/22/784735522.db2.gz ORKCUACHRSWNHQ-INIZCTEOSA-N 1 2 344.459 2.141 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccncc2C(F)(F)F)C1 ZINC001035564590 784741857 /nfs/dbraw/zinc/74/18/57/784741857.db2.gz XPZUCJXSYIMTQV-LBPRGKRZSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccncc2C(F)(F)F)C1 ZINC001035564590 784741863 /nfs/dbraw/zinc/74/18/63/784741863.db2.gz XPZUCJXSYIMTQV-LBPRGKRZSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc3cnccc32)C1 ZINC001035605509 784767109 /nfs/dbraw/zinc/76/71/09/784767109.db2.gz GTGJGPHETOIWHE-INIZCTEOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccc3cnccc32)C1 ZINC001035605509 784767118 /nfs/dbraw/zinc/76/71/18/784767118.db2.gz GTGJGPHETOIWHE-INIZCTEOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cscc2C(F)(F)F)C1 ZINC001035629053 784824529 /nfs/dbraw/zinc/82/45/29/784824529.db2.gz CRYGQOVNEQGXBT-JTQLQIEISA-N 1 2 334.363 2.384 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cscc2C(F)(F)F)C1 ZINC001035629053 784824540 /nfs/dbraw/zinc/82/45/40/784824540.db2.gz CRYGQOVNEQGXBT-JTQLQIEISA-N 1 2 334.363 2.384 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cncc3ccccc32)C1 ZINC001035613139 784851585 /nfs/dbraw/zinc/85/15/85/784851585.db2.gz DLJRJHYCEGIDLM-INIZCTEOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cncc3ccccc32)C1 ZINC001035613139 784851594 /nfs/dbraw/zinc/85/15/94/784851594.db2.gz DLJRJHYCEGIDLM-INIZCTEOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)c(F)cc2F)[C@H](O)C1 ZINC001090526111 785001173 /nfs/dbraw/zinc/00/11/73/785001173.db2.gz AJEXCPNUKXXKBK-UONOGXRCSA-N 1 2 348.752 2.021 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(F)c(F)cc2F)[C@H](O)C1 ZINC001090526111 785001179 /nfs/dbraw/zinc/00/11/79/785001179.db2.gz AJEXCPNUKXXKBK-UONOGXRCSA-N 1 2 348.752 2.021 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000946003455 785283953 /nfs/dbraw/zinc/28/39/53/785283953.db2.gz WIPAZFAYNVSUBY-GDBMZVCRSA-N 1 2 344.459 2.004 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000946003455 785283960 /nfs/dbraw/zinc/28/39/60/785283960.db2.gz WIPAZFAYNVSUBY-GDBMZVCRSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccncc2Cl)[C@@H]1C ZINC001088868288 791106090 /nfs/dbraw/zinc/10/60/90/791106090.db2.gz VICBTMCWOGTGOH-IRWJRLHMSA-N 1 2 349.862 2.405 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccncc2Cl)[C@@H]1C ZINC001088868288 791106096 /nfs/dbraw/zinc/10/60/96/791106096.db2.gz VICBTMCWOGTGOH-IRWJRLHMSA-N 1 2 349.862 2.405 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccccc1OC[C@@H]1CCCCO1 ZINC000819428259 785558809 /nfs/dbraw/zinc/55/88/09/785558809.db2.gz YEFPGEAFXPLFHV-SJORKVTESA-N 1 2 347.459 2.253 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccccc1OC[C@@H]1CCCCO1 ZINC000819428259 785558816 /nfs/dbraw/zinc/55/88/16/785558816.db2.gz YEFPGEAFXPLFHV-SJORKVTESA-N 1 2 347.459 2.253 20 30 EEEDLO C#CCCCc1nnc(N2CC[NH+](CC#C)CC2)n1Cc1ccccc1 ZINC000908978451 785896036 /nfs/dbraw/zinc/89/60/36/785896036.db2.gz JNUNCPPOYBUUEF-UHFFFAOYSA-N 1 2 347.466 2.038 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)c3cn(C)c(C)cc3=O)CCC[C@H]12 ZINC000991176402 786138881 /nfs/dbraw/zinc/13/88/81/786138881.db2.gz QMQMIWRVIHVAPM-WMZOPIPTSA-N 1 2 349.862 2.173 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)c3cn(C)c(C)cc3=O)CCC[C@H]12 ZINC000991176402 786138886 /nfs/dbraw/zinc/13/88/86/786138886.db2.gz QMQMIWRVIHVAPM-WMZOPIPTSA-N 1 2 349.862 2.173 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@]3(C)CC=CCC3)nn2)C1 ZINC001107174312 786224982 /nfs/dbraw/zinc/22/49/82/786224982.db2.gz NQILGFYHWJYXMM-GOSISDBHSA-N 1 2 329.448 2.074 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@]3(C)CCC[C@@H]3CC)nn2)C1 ZINC001107182737 786243205 /nfs/dbraw/zinc/24/32/05/786243205.db2.gz ZCSROLPWKNQFMG-KBXCAEBGSA-N 1 2 331.464 2.153 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)C3CCCC3)nn2)C1 ZINC001107227796 786555059 /nfs/dbraw/zinc/55/50/59/786555059.db2.gz SFYYHFVTZWISTH-AWEZNQCLSA-N 1 2 331.464 2.153 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)CC ZINC001109592435 805727202 /nfs/dbraw/zinc/72/72/02/805727202.db2.gz RWJJTWXVNJODFU-FZKCQIBNSA-N 1 2 335.492 2.225 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)CC ZINC001109592435 805727208 /nfs/dbraw/zinc/72/72/08/805727208.db2.gz RWJJTWXVNJODFU-FZKCQIBNSA-N 1 2 335.492 2.225 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH]ccc32)[C@H](O)C1 ZINC001090584233 787071221 /nfs/dbraw/zinc/07/12/21/787071221.db2.gz RSWBTDLZISPGCB-JKSUJKDBSA-N 1 2 333.819 2.085 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3[nH]ccc32)[C@H](O)C1 ZINC001090584233 787071226 /nfs/dbraw/zinc/07/12/26/787071226.db2.gz RSWBTDLZISPGCB-JKSUJKDBSA-N 1 2 333.819 2.085 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)CCC ZINC001109605435 805757901 /nfs/dbraw/zinc/75/79/01/805757901.db2.gz BITSUCBMNMUPCT-FZKCQIBNSA-N 1 2 335.492 2.225 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)CCC ZINC001109605435 805757905 /nfs/dbraw/zinc/75/79/05/805757905.db2.gz BITSUCBMNMUPCT-FZKCQIBNSA-N 1 2 335.492 2.225 20 30 EEEDLO CC(C)n1c[nH+]cc1CN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000822470721 787223087 /nfs/dbraw/zinc/22/30/87/787223087.db2.gz XVSRGQXUEXKLBS-DZGCQCFKSA-N 1 2 333.436 2.313 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC/C=C/CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107463156 787313162 /nfs/dbraw/zinc/31/31/62/787313162.db2.gz DSAMTOJHAYYLPW-LQYUOIDQSA-N 1 2 343.475 2.151 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC/C=C/CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107463156 787313169 /nfs/dbraw/zinc/31/31/69/787313169.db2.gz DSAMTOJHAYYLPW-LQYUOIDQSA-N 1 2 343.475 2.151 20 30 EEEDLO C[C@H](CC(=O)NC/C=C/CNc1ncc(C#N)cc1F)n1cc[nH+]c1 ZINC001107545942 787571138 /nfs/dbraw/zinc/57/11/38/787571138.db2.gz PNSNMHADCPDKRL-YWVDXFKGSA-N 1 2 342.378 2.024 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001062293351 787804891 /nfs/dbraw/zinc/80/48/91/787804891.db2.gz WCLGHHZHVCPQCD-OAHLLOKOSA-N 1 2 346.475 2.360 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001062315166 787875810 /nfs/dbraw/zinc/87/58/10/787875810.db2.gz MATOZUKHVHVDAE-JKSUJKDBSA-N 1 2 346.475 2.442 20 30 EEEDLO CC1(C)CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077640715 787935038 /nfs/dbraw/zinc/93/50/38/787935038.db2.gz MLDIWKHJVDHRFD-GUDVDZBRSA-N 1 2 340.467 2.026 20 30 EEEDLO CC1(C)CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077640715 787935046 /nfs/dbraw/zinc/93/50/46/787935046.db2.gz MLDIWKHJVDHRFD-GUDVDZBRSA-N 1 2 340.467 2.026 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(CC(C)C)c[nH]2)[C@H](O)C1 ZINC001090731403 787948006 /nfs/dbraw/zinc/94/80/06/787948006.db2.gz RMZQUTLEZCKSEQ-GDBMZVCRSA-N 1 2 339.867 2.131 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(CC(C)C)c[nH]2)[C@H](O)C1 ZINC001090731403 787948011 /nfs/dbraw/zinc/94/80/11/787948011.db2.gz RMZQUTLEZCKSEQ-GDBMZVCRSA-N 1 2 339.867 2.131 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001077678161 788248288 /nfs/dbraw/zinc/24/82/88/788248288.db2.gz AZOYCBYODUZDLE-ZDUSSCGKSA-N 1 2 332.448 2.040 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)CC)CC1 ZINC001109674659 805868089 /nfs/dbraw/zinc/86/80/89/805868089.db2.gz XTIMTXVAZXDNDN-RANZSIQMSA-N 1 2 347.503 2.369 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)CC)CC1 ZINC001109674659 805868099 /nfs/dbraw/zinc/86/80/99/805868099.db2.gz XTIMTXVAZXDNDN-RANZSIQMSA-N 1 2 347.503 2.369 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2c(F)ccc(F)c2F)C1 ZINC001108166360 788410234 /nfs/dbraw/zinc/41/02/34/788410234.db2.gz AHBRKDSTMUQXLA-MRXNPFEDSA-N 1 2 328.334 2.111 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2c(F)ccc(F)c2F)C1 ZINC001108166360 788410241 /nfs/dbraw/zinc/41/02/41/788410241.db2.gz AHBRKDSTMUQXLA-MRXNPFEDSA-N 1 2 328.334 2.111 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060787887 788621748 /nfs/dbraw/zinc/62/17/48/788621748.db2.gz WRRKISZDEXBCCR-JYJNAYRXSA-N 1 2 346.475 2.346 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cn(C)c3ccccc23)C1 ZINC001108168882 788645711 /nfs/dbraw/zinc/64/57/11/788645711.db2.gz HADKMHFHCJQGSS-HXUWFJFHSA-N 1 2 341.455 2.114 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cn(C)c3ccccc23)C1 ZINC001108168882 788645716 /nfs/dbraw/zinc/64/57/16/788645716.db2.gz HADKMHFHCJQGSS-HXUWFJFHSA-N 1 2 341.455 2.114 20 30 EEEDLO C#CCCCCC(=O)NC[C@]1(C)C[N@H+](Cc2ncccc2C)CCO1 ZINC001107882866 789059390 /nfs/dbraw/zinc/05/93/90/789059390.db2.gz DYHSQNROWVSZHI-HXUWFJFHSA-N 1 2 343.471 2.291 20 30 EEEDLO C#CCCCCC(=O)NC[C@]1(C)C[N@@H+](Cc2ncccc2C)CCO1 ZINC001107882866 789059398 /nfs/dbraw/zinc/05/93/98/789059398.db2.gz DYHSQNROWVSZHI-HXUWFJFHSA-N 1 2 343.471 2.291 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001060803858 789161498 /nfs/dbraw/zinc/16/14/98/789161498.db2.gz LNRKJKYVWCRREY-WKILWMFISA-N 1 2 346.475 2.110 20 30 EEEDLO Cc1cnccc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032406327 789197860 /nfs/dbraw/zinc/19/78/60/789197860.db2.gz XKHFTTPOVVBOND-SFTDATJTSA-N 1 2 345.446 2.269 20 30 EEEDLO Cc1cnccc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032406327 789197866 /nfs/dbraw/zinc/19/78/66/789197866.db2.gz XKHFTTPOVVBOND-SFTDATJTSA-N 1 2 345.446 2.269 20 30 EEEDLO COC(=O)c1ccccc1N1CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC001144079550 789218233 /nfs/dbraw/zinc/21/82/33/789218233.db2.gz SBBZXLHDPOOIPF-UHFFFAOYSA-N 1 2 336.395 2.062 20 30 EEEDLO CCn1cc(C[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C(C)C)cn1 ZINC000844737087 789364561 /nfs/dbraw/zinc/36/45/61/789364561.db2.gz KJVYLTZVQIQULN-UHFFFAOYSA-N 1 2 339.443 2.293 20 30 EEEDLO CCn1cc(C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C(C)C)cn1 ZINC000844737087 789364569 /nfs/dbraw/zinc/36/45/69/789364569.db2.gz KJVYLTZVQIQULN-UHFFFAOYSA-N 1 2 339.443 2.293 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc3ncccc3c2)C1 ZINC001108181128 789598460 /nfs/dbraw/zinc/59/84/60/789598460.db2.gz SFCGPYJYKXMHQT-IBGZPJMESA-N 1 2 325.412 2.242 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc3ncccc3c2)C1 ZINC001108181128 789598462 /nfs/dbraw/zinc/59/84/62/789598462.db2.gz SFCGPYJYKXMHQT-IBGZPJMESA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc[nH]c2C(=O)OCC)C1 ZINC001144342501 789600690 /nfs/dbraw/zinc/60/06/90/789600690.db2.gz GPKWUOCUNNSYDL-CQSZACIVSA-N 1 2 335.404 2.068 20 30 EEEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc[nH]c2C(=O)OCC)C1 ZINC001144342501 789600693 /nfs/dbraw/zinc/60/06/93/789600693.db2.gz GPKWUOCUNNSYDL-CQSZACIVSA-N 1 2 335.404 2.068 20 30 EEEDLO C[C@@H](CC(=O)OCC(=O)N(CCC#N)c1ccccc1)n1cc[nH+]c1 ZINC000845279055 789704796 /nfs/dbraw/zinc/70/47/96/789704796.db2.gz LBCQWDHPXJEYGB-HNNXBMFYSA-N 1 2 340.383 2.324 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1O ZINC001091186838 790034068 /nfs/dbraw/zinc/03/40/68/790034068.db2.gz SCFTZDSSDDIVAK-CABCVRRESA-N 1 2 346.475 2.176 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC001032488955 790137520 /nfs/dbraw/zinc/13/75/20/790137520.db2.gz BIBHERWCXYFTHJ-XIRDDKMYSA-N 1 2 326.444 2.085 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC001032488955 790137522 /nfs/dbraw/zinc/13/75/22/790137522.db2.gz BIBHERWCXYFTHJ-XIRDDKMYSA-N 1 2 326.444 2.085 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC1(NC(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001063061416 790169972 /nfs/dbraw/zinc/16/99/72/790169972.db2.gz JLGDSNMVFQPLMV-UHFFFAOYSA-N 1 2 332.448 2.100 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC1(NC(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001063061416 790169977 /nfs/dbraw/zinc/16/99/77/790169977.db2.gz JLGDSNMVFQPLMV-UHFFFAOYSA-N 1 2 332.448 2.100 20 30 EEEDLO CCCCC[C@@H](C)NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158144835 790201353 /nfs/dbraw/zinc/20/13/53/790201353.db2.gz HFJUOCOQCMNWLD-CYBMUJFWSA-N 1 2 333.432 2.343 20 30 EEEDLO COc1ccnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)c1 ZINC001032555759 791184289 /nfs/dbraw/zinc/18/42/89/791184289.db2.gz DWJZFZAHWZILQC-IRXDYDNUSA-N 1 2 348.406 2.061 20 30 EEEDLO COc1ccnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)c1 ZINC001032555759 791184293 /nfs/dbraw/zinc/18/42/93/791184293.db2.gz DWJZFZAHWZILQC-IRXDYDNUSA-N 1 2 348.406 2.061 20 30 EEEDLO C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001063566859 791336147 /nfs/dbraw/zinc/33/61/47/791336147.db2.gz PDZJSWWQIIZTDG-GDBMZVCRSA-N 1 2 338.415 2.204 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn(-c3ccccn3)c2)[C@H]1C ZINC001088895177 791433834 /nfs/dbraw/zinc/43/38/34/791433834.db2.gz MWYCJRJUZZBINF-HIFRSBDPSA-N 1 2 345.834 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3ccccn3)c2)[C@H]1C ZINC001088895177 791433842 /nfs/dbraw/zinc/43/38/42/791433842.db2.gz MWYCJRJUZZBINF-HIFRSBDPSA-N 1 2 345.834 2.212 20 30 EEEDLO C=CCOCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1coc(C)n1)C2 ZINC001147297566 791773236 /nfs/dbraw/zinc/77/32/36/791773236.db2.gz MKDLAFKOYFCLMC-UHFFFAOYSA-N 1 2 333.432 2.000 20 30 EEEDLO C=CCOCCCC(=O)N1CC2(C1)CC[N@H+](Cc1coc(C)n1)C2 ZINC001147297566 791773239 /nfs/dbraw/zinc/77/32/39/791773239.db2.gz MKDLAFKOYFCLMC-UHFFFAOYSA-N 1 2 333.432 2.000 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2Cc3ccccc3CO2)[C@H]1C ZINC001089014992 791878785 /nfs/dbraw/zinc/87/87/85/791878785.db2.gz XGWSNXHIKSXCJQ-COXVUDFISA-N 1 2 334.847 2.459 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2Cc3ccccc3CO2)[C@H]1C ZINC001089014992 791878791 /nfs/dbraw/zinc/87/87/91/791878791.db2.gz XGWSNXHIKSXCJQ-COXVUDFISA-N 1 2 334.847 2.459 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnc(-n3ccnc3)c2)[C@H]1C ZINC001089046625 791980897 /nfs/dbraw/zinc/98/08/97/791980897.db2.gz QYVXWCVXNCDMBH-HIFRSBDPSA-N 1 2 345.834 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(-n3ccnc3)c2)[C@H]1C ZINC001089046625 791980902 /nfs/dbraw/zinc/98/09/02/791980902.db2.gz QYVXWCVXNCDMBH-HIFRSBDPSA-N 1 2 345.834 2.212 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@H](C)C(C)(C)C)C2)nn1 ZINC001098775347 792180212 /nfs/dbraw/zinc/18/02/12/792180212.db2.gz YRSPIPGEFCBGMR-DOTOQJQBSA-N 1 2 345.491 2.237 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCC1(NC(=O)CCc2c[nH+]cn2C)CCC1 ZINC001064108756 792423043 /nfs/dbraw/zinc/42/30/43/792423043.db2.gz CECWOAKRLSVRNV-HNNXBMFYSA-N 1 2 346.475 2.110 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)nc1 ZINC001064187871 792643011 /nfs/dbraw/zinc/64/30/11/792643011.db2.gz IPJONSMEEVNOQT-GDBMZVCRSA-N 1 2 338.415 2.006 20 30 EEEDLO Cc1conc1C[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001089157872 792892399 /nfs/dbraw/zinc/89/23/99/792892399.db2.gz MNOWJCGNDKBXLK-HNNXBMFYSA-N 1 2 341.415 2.310 20 30 EEEDLO Cc1conc1C[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001089157872 792892417 /nfs/dbraw/zinc/89/24/17/792892417.db2.gz MNOWJCGNDKBXLK-HNNXBMFYSA-N 1 2 341.415 2.310 20 30 EEEDLO C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCCc4[nH]ncc43)C2)CC1 ZINC001086922879 792991219 /nfs/dbraw/zinc/99/12/19/792991219.db2.gz CDPKRTURDDUIPW-HOTGVXAUSA-N 1 2 340.471 2.166 20 30 EEEDLO Cc1nc(N2CC[C@@H](C3CCN(C(=O)[C@H](C)C#N)CC3)C2)cc[nH+]1 ZINC001064422541 793061463 /nfs/dbraw/zinc/06/14/63/793061463.db2.gz OUWFNPMNBWWYDS-CZUORRHYSA-N 1 2 327.432 2.010 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(F)cc1 ZINC001032637990 793157979 /nfs/dbraw/zinc/15/79/79/793157979.db2.gz CQIOOMFVAWRJGP-FJIDUMEYSA-N 1 2 330.403 2.202 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(F)cc1 ZINC001032637990 793157988 /nfs/dbraw/zinc/15/79/88/793157988.db2.gz CQIOOMFVAWRJGP-FJIDUMEYSA-N 1 2 330.403 2.202 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001091984284 793466640 /nfs/dbraw/zinc/46/66/40/793466640.db2.gz STLPZGCKJPZIIS-ZBFHGGJFSA-N 1 2 344.459 2.339 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc(C3CC3)c1)c1nccn12 ZINC001092379341 793873670 /nfs/dbraw/zinc/87/36/70/793873670.db2.gz FDMGXEDNWUFMNZ-KRWDZBQOSA-N 1 2 349.438 2.227 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)oc(C)c1C)c1nccn12 ZINC001092380832 793875691 /nfs/dbraw/zinc/87/56/91/793875691.db2.gz KCQNYAVPVAJHTB-HNNXBMFYSA-N 1 2 340.427 2.473 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC1(C)C)c1nccn12 ZINC001092387186 793882679 /nfs/dbraw/zinc/88/26/79/793882679.db2.gz SYVKIDNJQXRQDM-HZPDHXFCSA-N 1 2 340.471 2.305 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@]1(C)CC=CCC1)c1nccn12 ZINC001092369452 793913417 /nfs/dbraw/zinc/91/34/17/793913417.db2.gz BAMHOPUPTBSEHC-QFBILLFUSA-N 1 2 338.455 2.225 20 30 EEEDLO CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001109967362 806306939 /nfs/dbraw/zinc/30/69/39/806306939.db2.gz AOCHYIVPOUHQIA-FYQPLNBISA-N 1 2 339.483 2.424 20 30 EEEDLO CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001109967362 806306948 /nfs/dbraw/zinc/30/69/48/806306948.db2.gz AOCHYIVPOUHQIA-FYQPLNBISA-N 1 2 339.483 2.424 20 30 EEEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)N(C)CC)C2 ZINC001109967362 806306957 /nfs/dbraw/zinc/30/69/57/806306957.db2.gz AOCHYIVPOUHQIA-FYQPLNBISA-N 1 2 339.483 2.424 20 30 EEEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1ccccc1)N(C)CC)C2 ZINC001109967362 806306968 /nfs/dbraw/zinc/30/69/68/806306968.db2.gz AOCHYIVPOUHQIA-FYQPLNBISA-N 1 2 339.483 2.424 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001092963709 794486716 /nfs/dbraw/zinc/48/67/16/794486716.db2.gz NCQXVTPHIVOGIA-OAGGEKHMSA-N 1 2 326.444 2.377 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(C(F)(F)F)n1 ZINC001032716672 794570261 /nfs/dbraw/zinc/57/02/61/794570261.db2.gz WODZHAUMSFIURV-UWVGGRQHSA-N 1 2 329.347 2.084 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(C(F)(F)F)n1 ZINC001032716672 794570266 /nfs/dbraw/zinc/57/02/66/794570266.db2.gz WODZHAUMSFIURV-UWVGGRQHSA-N 1 2 329.347 2.084 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C1=COCCC1 ZINC001079475779 794814697 /nfs/dbraw/zinc/81/46/97/794814697.db2.gz ACHLDPFNCVPSLC-FZKQIMNGSA-N 1 2 343.402 2.328 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C1=COCCC1 ZINC001079475779 794814702 /nfs/dbraw/zinc/81/47/02/794814702.db2.gz ACHLDPFNCVPSLC-FZKQIMNGSA-N 1 2 343.402 2.328 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2c(F)cccc2F)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079542407 794913301 /nfs/dbraw/zinc/91/33/01/794913301.db2.gz TZZJGLGNEAOVMT-PIGZYNQJSA-N 1 2 344.365 2.415 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2c(F)cccc2F)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079542407 794913307 /nfs/dbraw/zinc/91/33/07/794913307.db2.gz TZZJGLGNEAOVMT-PIGZYNQJSA-N 1 2 344.365 2.415 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nccs3)[C@H](C)C2)nc1 ZINC000947949165 795197945 /nfs/dbraw/zinc/19/79/45/795197945.db2.gz RMWFKHBOHWQGSA-UKRRQHHQSA-N 1 2 340.452 2.302 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nccs3)[C@H](C)C2)nc1 ZINC000947949165 795197949 /nfs/dbraw/zinc/19/79/49/795197949.db2.gz RMWFKHBOHWQGSA-UKRRQHHQSA-N 1 2 340.452 2.302 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3c2OCCO3)C1 ZINC001079803298 795240333 /nfs/dbraw/zinc/24/03/33/795240333.db2.gz PGPKIVDGZXKVLC-BXUZGUMPSA-N 1 2 336.819 2.260 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3c2OCCO3)C1 ZINC001079803298 795240337 /nfs/dbraw/zinc/24/03/37/795240337.db2.gz PGPKIVDGZXKVLC-BXUZGUMPSA-N 1 2 336.819 2.260 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC[NH2+]Cc1nc([C@H](C)OCC)no1 ZINC001128087757 795261563 /nfs/dbraw/zinc/26/15/63/795261563.db2.gz ASVKRYIGOKBFME-ZDUSSCGKSA-N 1 2 336.436 2.141 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001093513439 795300373 /nfs/dbraw/zinc/30/03/73/795300373.db2.gz CBOQRVZFUSOYKM-ZDUSSCGKSA-N 1 2 332.448 2.173 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(F)c2)cn1 ZINC001032740250 795338045 /nfs/dbraw/zinc/33/80/45/795338045.db2.gz XIJRBZHGRNCALO-OALUTQOASA-N 1 2 335.382 2.301 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(F)c2)cn1 ZINC001032740250 795338050 /nfs/dbraw/zinc/33/80/50/795338050.db2.gz XIJRBZHGRNCALO-OALUTQOASA-N 1 2 335.382 2.301 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)COc2ccccc2)c1 ZINC001032749937 795426476 /nfs/dbraw/zinc/42/64/76/795426476.db2.gz IYHVMXFPZDRITJ-OALUTQOASA-N 1 2 347.418 2.422 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)COc2ccccc2)c1 ZINC001032749937 795426480 /nfs/dbraw/zinc/42/64/80/795426480.db2.gz IYHVMXFPZDRITJ-OALUTQOASA-N 1 2 347.418 2.422 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC001108025100 795650763 /nfs/dbraw/zinc/65/07/63/795650763.db2.gz TYVDQZSRNTVBKZ-LJQANCHMSA-N 1 2 331.460 2.061 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC001108025100 795650766 /nfs/dbraw/zinc/65/07/66/795650766.db2.gz TYVDQZSRNTVBKZ-LJQANCHMSA-N 1 2 331.460 2.061 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC(N(CC)C(=O)CCc2[nH+]ccn2C)C1 ZINC001080241871 795749080 /nfs/dbraw/zinc/74/90/80/795749080.db2.gz WARTYRSNGZQVSF-UHFFFAOYSA-N 1 2 346.475 2.014 20 30 EEEDLO Cc1csc(C[N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)n1 ZINC000993192226 795757449 /nfs/dbraw/zinc/75/74/49/795757449.db2.gz BKXDPYROTJTQMV-SWLSCSKDSA-N 1 2 343.456 2.434 20 30 EEEDLO Cc1csc(C[N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)n1 ZINC000993192226 795757452 /nfs/dbraw/zinc/75/74/52/795757452.db2.gz BKXDPYROTJTQMV-SWLSCSKDSA-N 1 2 343.456 2.434 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(CC)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001080310637 795806737 /nfs/dbraw/zinc/80/67/37/795806737.db2.gz ZKPVHWOYYSLLTG-HNNXBMFYSA-N 1 2 346.475 2.014 20 30 EEEDLO N#Cc1sc(NCCNC(=O)c2cccc3[nH+]ccn32)nc1Cl ZINC001093986334 795837655 /nfs/dbraw/zinc/83/76/55/795837655.db2.gz JCFHZBDWEVEIBO-UHFFFAOYSA-N 1 2 346.803 2.158 20 30 EEEDLO N#Cc1ccc(NC[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C2)nc1 ZINC001060944094 795853498 /nfs/dbraw/zinc/85/34/98/795853498.db2.gz BDROIQHGHUPDDD-HNNXBMFYSA-N 1 2 346.394 2.175 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCNc1[nH+]c(C)nc(-n2cccn2)c1C ZINC001094047180 795893693 /nfs/dbraw/zinc/89/36/93/795893693.db2.gz KSCYSCSUPXTECU-OLZOCXBDSA-N 1 2 342.447 2.265 20 30 EEEDLO Cc1nsc(NCC[C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)c1C#N ZINC001106593795 795907798 /nfs/dbraw/zinc/90/77/98/795907798.db2.gz USKKOVPDDLXXEL-RYUDHWBXSA-N 1 2 346.460 2.478 20 30 EEEDLO C[C@H](CCNc1ncc(C#N)cc1Cl)NC(=O)CCc1c[nH]c[nH+]1 ZINC001106620595 795969540 /nfs/dbraw/zinc/96/95/40/795969540.db2.gz HITKGODHAFHUIZ-LLVKDONJSA-N 1 2 346.822 2.269 20 30 EEEDLO C[C@H](CCNc1ncc(C#N)cc1Cl)NC(=O)CCc1c[nH+]c[nH]1 ZINC001106620595 795969548 /nfs/dbraw/zinc/96/95/48/795969548.db2.gz HITKGODHAFHUIZ-LLVKDONJSA-N 1 2 346.822 2.269 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]3CC[C@@H](Nc4cc[nH+]c(C)n4)[C@@H]3C2)nc1 ZINC001060536546 796087928 /nfs/dbraw/zinc/08/79/28/796087928.db2.gz CNQAMTGAABXYSX-GVDBMIGSSA-N 1 2 347.422 2.124 20 30 EEEDLO C=CCCCC(=O)N1CC(N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001080506991 796090038 /nfs/dbraw/zinc/09/00/38/796090038.db2.gz RVQAGQDQQHGIOU-HNNXBMFYSA-N 1 2 344.459 2.245 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3CC(C(C)(C)C)C3)nn2)C1 ZINC001094338813 796112953 /nfs/dbraw/zinc/11/29/53/796112953.db2.gz DXBWZQFKFSXGJT-UHFFFAOYSA-N 1 2 331.464 2.009 20 30 EEEDLO C=CCC1(C(=O)NCC[C@H](C)NC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001078225929 796130516 /nfs/dbraw/zinc/13/05/16/796130516.db2.gz DZBMLDXVDDDCMV-AWEZNQCLSA-N 1 2 332.448 2.100 20 30 EEEDLO C=CCCC1(C(=O)NCCCNc2[nH+]cnc3c2cnn3C)CC1 ZINC001094755926 796563449 /nfs/dbraw/zinc/56/34/49/796563449.db2.gz IWJIRSUIFZTHMF-UHFFFAOYSA-N 1 2 328.420 2.028 20 30 EEEDLO C#CCOc1ncccc1C(=O)NC1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001031276087 796626463 /nfs/dbraw/zinc/62/64/63/796626463.db2.gz JWQAPNWUFJLIHF-IBGZPJMESA-N 1 2 347.418 2.195 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccn(C)n2)[C@H]1C ZINC000993445550 796711561 /nfs/dbraw/zinc/71/15/61/796711561.db2.gz LMWNVEZPDKXXLI-RDJZCZTQSA-N 1 2 341.459 2.191 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccn(C)n2)[C@H]1C ZINC000993445550 796711565 /nfs/dbraw/zinc/71/15/65/796711565.db2.gz LMWNVEZPDKXXLI-RDJZCZTQSA-N 1 2 341.459 2.191 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001110164468 796827271 /nfs/dbraw/zinc/82/72/71/796827271.db2.gz JEEPVUDIIOHFGF-ZDUSSCGKSA-N 1 2 330.432 2.314 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cnco2)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000993640493 796863545 /nfs/dbraw/zinc/86/35/45/796863545.db2.gz HFKKNVUXUZUPGY-LRDDRELGSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cnco2)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000993640493 796863551 /nfs/dbraw/zinc/86/35/51/796863551.db2.gz HFKKNVUXUZUPGY-LRDDRELGSA-N 1 2 342.374 2.468 20 30 EEEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2scnc2C(F)(F)F)[C@H](OC)C1 ZINC001081807393 796915780 /nfs/dbraw/zinc/91/57/80/796915780.db2.gz MHWYNGURJIIFPB-NXEZZACHSA-N 1 2 349.378 2.167 20 30 EEEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2scnc2C(F)(F)F)[C@H](OC)C1 ZINC001081807393 796915784 /nfs/dbraw/zinc/91/57/84/796915784.db2.gz MHWYNGURJIIFPB-NXEZZACHSA-N 1 2 349.378 2.167 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001082042050 797114636 /nfs/dbraw/zinc/11/46/36/797114636.db2.gz XFVYLDAYIGZIFR-HOTGVXAUSA-N 1 2 346.475 2.442 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001061017537 797115464 /nfs/dbraw/zinc/11/54/64/797115464.db2.gz SSKNSBJPZKOSNQ-CYBMUJFWSA-N 1 2 341.390 2.314 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001061017537 797115469 /nfs/dbraw/zinc/11/54/69/797115469.db2.gz SSKNSBJPZKOSNQ-CYBMUJFWSA-N 1 2 341.390 2.314 20 30 EEEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@]1(C)C=CCC1 ZINC001082033235 797133475 /nfs/dbraw/zinc/13/34/75/797133475.db2.gz BQFOCZUPNMZZPZ-SBHAEUEKSA-N 1 2 338.451 2.210 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@]1(C)C=CCC1 ZINC001082033235 797133482 /nfs/dbraw/zinc/13/34/82/797133482.db2.gz BQFOCZUPNMZZPZ-SBHAEUEKSA-N 1 2 338.451 2.210 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(F)ccc(F)c2Cl)[C@H](OC)C1 ZINC001082160188 797272638 /nfs/dbraw/zinc/27/26/38/797272638.db2.gz AXZHKULXXAXZJB-CHWSQXEVSA-N 1 2 342.773 2.071 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(F)ccc(F)c2Cl)[C@H](OC)C1 ZINC001082160188 797272640 /nfs/dbraw/zinc/27/26/40/797272640.db2.gz AXZHKULXXAXZJB-CHWSQXEVSA-N 1 2 342.773 2.071 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn3nccc3nc2C)[C@@H]1C ZINC000994120496 797302199 /nfs/dbraw/zinc/30/21/99/797302199.db2.gz HACCSRVCSYGDJV-ZFWWWQNUSA-N 1 2 347.850 2.373 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn3nccc3nc2C)[C@@H]1C ZINC000994120496 797302203 /nfs/dbraw/zinc/30/22/03/797302203.db2.gz HACCSRVCSYGDJV-ZFWWWQNUSA-N 1 2 347.850 2.373 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001082252325 797372045 /nfs/dbraw/zinc/37/20/45/797372045.db2.gz HPLDYIMHPSSFOT-CABCVRRESA-N 1 2 332.448 2.052 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)[C@H](OC)C1 ZINC001082342661 797452204 /nfs/dbraw/zinc/45/22/04/797452204.db2.gz ZIAVTXHHOILIGY-ZIAGYGMSSA-N 1 2 327.211 2.056 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)[C@H](OC)C1 ZINC001082342661 797452208 /nfs/dbraw/zinc/45/22/08/797452208.db2.gz ZIAVTXHHOILIGY-ZIAGYGMSSA-N 1 2 327.211 2.056 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc([C@H](C)OC)no3)C2)C1 ZINC001082727789 797667718 /nfs/dbraw/zinc/66/77/18/797667718.db2.gz MHMMRGFPRPALQA-HZSPNIEDSA-N 1 2 348.447 2.070 20 30 EEEDLO N#Cc1c(F)cc(Nc2cnn(CC[NH+]3CCOCC3)c2)cc1F ZINC001174493909 797770793 /nfs/dbraw/zinc/77/07/93/797770793.db2.gz LHRNSPVYNILTDG-UHFFFAOYSA-N 1 2 333.342 2.109 20 30 EEEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4cc(C)no4)C[C@@H]32)CC1 ZINC001083183543 797929104 /nfs/dbraw/zinc/92/91/04/797929104.db2.gz JUCLZNHBNKSEHT-ZWKOTPCHSA-N 1 2 345.443 2.141 20 30 EEEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@H+](Cc4cc(C)no4)C[C@@H]32)CC1 ZINC001083183543 797929109 /nfs/dbraw/zinc/92/91/09/797929109.db2.gz JUCLZNHBNKSEHT-ZWKOTPCHSA-N 1 2 345.443 2.141 20 30 EEEDLO CCO[C@@H]1C[C@@H]1C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001002397583 798021781 /nfs/dbraw/zinc/02/17/81/798021781.db2.gz WQBMEZYWQPBRCL-ZWKOTPCHSA-N 1 2 345.418 2.203 20 30 EEEDLO O=C(c1ccncc1F)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084249135 798070598 /nfs/dbraw/zinc/07/05/98/798070598.db2.gz LNDNXERMSAZQFP-YLJYHZDGSA-N 1 2 349.409 2.419 20 30 EEEDLO O=C(c1ccncc1F)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084249135 798070604 /nfs/dbraw/zinc/07/06/04/798070604.db2.gz LNDNXERMSAZQFP-YLJYHZDGSA-N 1 2 349.409 2.419 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC4(F)F)[C@@H]3C2)c1 ZINC001084328778 798150791 /nfs/dbraw/zinc/15/07/91/798150791.db2.gz FHUWZSAMECZKFH-XNRPHZJLSA-N 1 2 349.356 2.385 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC4(F)F)[C@@H]3C2)c1 ZINC001084328778 798150793 /nfs/dbraw/zinc/15/07/93/798150793.db2.gz FHUWZSAMECZKFH-XNRPHZJLSA-N 1 2 349.356 2.385 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3OCC[C@H]3C(C)C)[C@@H]2C1 ZINC001084351580 798162441 /nfs/dbraw/zinc/16/24/41/798162441.db2.gz VNTLVAUJDZSRBA-QXSJWSMHSA-N 1 2 326.868 2.333 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3OCC[C@H]3C(C)C)[C@@H]2C1 ZINC001084351580 798162443 /nfs/dbraw/zinc/16/24/43/798162443.db2.gz VNTLVAUJDZSRBA-QXSJWSMHSA-N 1 2 326.868 2.333 20 30 EEEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCCO3)c2C1 ZINC001128187925 798179949 /nfs/dbraw/zinc/17/99/49/798179949.db2.gz ZUPPWVNCOKRISJ-SFHVURJKSA-N 1 2 348.491 2.464 20 30 EEEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCCO3)c2C1 ZINC001128187925 798179952 /nfs/dbraw/zinc/17/99/52/798179952.db2.gz ZUPPWVNCOKRISJ-SFHVURJKSA-N 1 2 348.491 2.464 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NCC[NH2+]Cc1nnc(C(F)F)s1 ZINC001128190519 798225098 /nfs/dbraw/zinc/22/50/98/798225098.db2.gz SDXSPHDSIIMNCS-UHFFFAOYSA-N 1 2 338.811 2.460 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC2CC[NH+](Cc3cnc(Cl)s3)CC2)c1 ZINC001002552304 798246323 /nfs/dbraw/zinc/24/63/23/798246323.db2.gz XOZXRIYTNVTUTB-UHFFFAOYSA-N 1 2 349.847 2.391 20 30 EEEDLO C#Cc1cc(Nc2ccccc2S(=O)(=O)N2CCCCC2)cc[nH+]1 ZINC001176022975 798319335 /nfs/dbraw/zinc/31/93/35/798319335.db2.gz LSPVQOAWQAINLG-UHFFFAOYSA-N 1 2 341.436 2.403 20 30 EEEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCOC3)c2C1 ZINC001128235615 798455767 /nfs/dbraw/zinc/45/57/67/798455767.db2.gz UWXSOMJTPZGDIG-INIZCTEOSA-N 1 2 346.475 2.098 20 30 EEEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCOC3)c2C1 ZINC001128235615 798455771 /nfs/dbraw/zinc/45/57/71/798455771.db2.gz UWXSOMJTPZGDIG-INIZCTEOSA-N 1 2 346.475 2.098 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H](C)n2cccc2)C1 ZINC001150612523 798496584 /nfs/dbraw/zinc/49/65/84/798496584.db2.gz BMZQJKOFONOQFR-HZPDHXFCSA-N 1 2 339.867 2.399 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C[C@@H](C)n2cccc2)C1 ZINC001150612523 798496588 /nfs/dbraw/zinc/49/65/88/798496588.db2.gz BMZQJKOFONOQFR-HZPDHXFCSA-N 1 2 339.867 2.399 20 30 EEEDLO CC(C)C#CC(=O)N1CC[C@@H]2OCC[N@H+](CC3=CCCCC3)[C@H]2C1 ZINC001177018051 798697609 /nfs/dbraw/zinc/69/76/09/798697609.db2.gz AIONPJFVXVYQAA-OALUTQOASA-N 1 2 330.472 2.448 20 30 EEEDLO CC(C)C#CC(=O)N1CC[C@@H]2OCC[N@@H+](CC3=CCCCC3)[C@H]2C1 ZINC001177018051 798697616 /nfs/dbraw/zinc/69/76/16/798697616.db2.gz AIONPJFVXVYQAA-OALUTQOASA-N 1 2 330.472 2.448 20 30 EEEDLO CC(C)C#CC(=O)N1CC[C@@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001177019793 798698709 /nfs/dbraw/zinc/69/87/09/798698709.db2.gz RRQGXTXZKBCFBT-OALUTQOASA-N 1 2 326.440 2.148 20 30 EEEDLO CC(C)C#CC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001177019793 798698711 /nfs/dbraw/zinc/69/87/11/798698711.db2.gz RRQGXTXZKBCFBT-OALUTQOASA-N 1 2 326.440 2.148 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3(C4CC4)CCC3)C[C@H]21 ZINC001177054996 798717564 /nfs/dbraw/zinc/71/75/64/798717564.db2.gz GFXSCHFHCJYIRD-MSOLQXFVSA-N 1 2 348.487 2.071 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)C3(C4CC4)CCC3)C[C@H]21 ZINC001177054996 798717567 /nfs/dbraw/zinc/71/75/67/798717567.db2.gz GFXSCHFHCJYIRD-MSOLQXFVSA-N 1 2 348.487 2.071 20 30 EEEDLO CCCCCCCCC(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001177140161 798768307 /nfs/dbraw/zinc/76/83/07/798768307.db2.gz WNASJKXHOOEXFR-ROUUACIJSA-N 1 2 340.508 2.421 20 30 EEEDLO CCCCCCCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001177140161 798768311 /nfs/dbraw/zinc/76/83/11/798768311.db2.gz WNASJKXHOOEXFR-ROUUACIJSA-N 1 2 340.508 2.421 20 30 EEEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)c2cc[nH]c2)CC1 ZINC001002886398 798782002 /nfs/dbraw/zinc/78/20/02/798782002.db2.gz JVVUCKSIXBIOFN-UHFFFAOYSA-N 1 2 326.375 2.420 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)Cc2cnc(C)o2)CC1 ZINC001003003909 799017393 /nfs/dbraw/zinc/01/73/93/799017393.db2.gz IRGWARLLVSAGRV-UHFFFAOYSA-N 1 2 342.237 2.015 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)c2[nH+]cnc3c2cnn3C)C1 ZINC001061243277 799164797 /nfs/dbraw/zinc/16/47/97/799164797.db2.gz BFHMLVHUEJBVIL-CYBMUJFWSA-N 1 2 342.447 2.003 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C3(CC)CC3)CC2)C1 ZINC001065706389 799355452 /nfs/dbraw/zinc/35/54/52/799355452.db2.gz KKEFCVONTXXRIR-QGZVFWFLSA-N 1 2 347.503 2.278 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@H](C)C(C)C)CC2)C1 ZINC001065707335 799357540 /nfs/dbraw/zinc/35/75/40/799357540.db2.gz SLSYILQBACFNPY-QZTJIDSGSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)/C(C)=C/C)C2)CC1 ZINC001065698019 799382038 /nfs/dbraw/zinc/38/20/38/799382038.db2.gz FKUZJVSLSPFGIF-BNSMALCHSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H](C)C3CC3)CC2)C1 ZINC001065711198 799407437 /nfs/dbraw/zinc/40/74/37/799407437.db2.gz JKJNIJHMPGTWCD-WMZOPIPTSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C3(CC)CC3)CC2)C1 ZINC001065712935 799412061 /nfs/dbraw/zinc/41/20/61/799412061.db2.gz IRTBIELOFVJYKB-KRWDZBQOSA-N 1 2 347.503 2.278 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH+]3CCN(C(=O)CCCC)CC3)C2)C1 ZINC001065713289 799413185 /nfs/dbraw/zinc/41/31/85/799413185.db2.gz PCZQMUOSYHMTBJ-KRWDZBQOSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CCOc1cccnc1C(=O)NCC1(Nc2cc[nH+]c(C)n2)CC1 ZINC001110223707 799627310 /nfs/dbraw/zinc/62/73/10/799627310.db2.gz BIEDYTFGLDKLQX-UHFFFAOYSA-N 1 2 339.399 2.119 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C3(C(F)F)CCC3)c2C1 ZINC001128457948 799632514 /nfs/dbraw/zinc/63/25/14/799632514.db2.gz JERXABHLIDAADX-UHFFFAOYSA-N 1 2 338.402 2.326 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C3(C(F)F)CCC3)c2C1 ZINC001128457948 799632519 /nfs/dbraw/zinc/63/25/19/799632519.db2.gz JERXABHLIDAADX-UHFFFAOYSA-N 1 2 338.402 2.326 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(CNc2cc[nH+]c(C)n2)CC1 ZINC001090005726 799662291 /nfs/dbraw/zinc/66/22/91/799662291.db2.gz XXRAEJAMUXZDBS-RDJZCZTQSA-N 1 2 344.459 2.465 20 30 EEEDLO Cc1coc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1C#N ZINC001178987582 799732837 /nfs/dbraw/zinc/73/28/37/799732837.db2.gz AMUYGPMYQLJAAQ-INIZCTEOSA-N 1 2 325.368 2.299 20 30 EEEDLO Cc1coc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1C#N ZINC001178987582 799732840 /nfs/dbraw/zinc/73/28/40/799732840.db2.gz AMUYGPMYQLJAAQ-INIZCTEOSA-N 1 2 325.368 2.299 20 30 EEEDLO C=C(Br)C[NH+]1CCC(CCOC)(NC(=O)C2CC2)CC1 ZINC001150862710 799855798 /nfs/dbraw/zinc/85/57/98/799855798.db2.gz ZNVKLYJBJFJNRZ-UHFFFAOYSA-N 1 2 345.281 2.292 20 30 EEEDLO C=CCCC(=O)N(C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001078875412 800033767 /nfs/dbraw/zinc/03/37/67/800033767.db2.gz BHCILXOHZOHODM-INIZCTEOSA-N 1 2 332.448 2.079 20 30 EEEDLO Cc1c[nH]c(C(=O)NC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)n1 ZINC001003771755 800151177 /nfs/dbraw/zinc/15/11/77/800151177.db2.gz KNYBOKXTMFBMKH-UHFFFAOYSA-N 1 2 341.390 2.123 20 30 EEEDLO C[C@@H](C#N)C(=O)NCc1c[nH+]cn1Cc1cccc(Br)c1 ZINC001179901936 800159747 /nfs/dbraw/zinc/15/97/47/800159747.db2.gz UIARYZODIGGLIF-NSHDSACASA-N 1 2 347.216 2.470 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(C3CC3)no2)[C@@H]1C ZINC001180265431 800340035 /nfs/dbraw/zinc/34/00/35/800340035.db2.gz YFNNOHRBTYDAPR-YDHLFZDLSA-N 1 2 348.447 2.180 20 30 EEEDLO C=CCSCC(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001180560071 800475587 /nfs/dbraw/zinc/47/55/87/800475587.db2.gz RYTLAKXGULAYDV-UHFFFAOYSA-N 1 2 330.457 2.126 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)C2(c3ccc(OC)cc3)CCOCC2)CC1 ZINC001180600252 800493481 /nfs/dbraw/zinc/49/34/81/800493481.db2.gz ZCWIECHVTIQGOB-UHFFFAOYSA-N 1 2 344.455 2.074 20 30 EEEDLO Cc1nc(NCCCC[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001090056663 800598128 /nfs/dbraw/zinc/59/81/28/800598128.db2.gz CDWXIVJQBSPHIG-GFCCVEGCSA-N 1 2 326.404 2.386 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001032986697 800684368 /nfs/dbraw/zinc/68/43/68/800684368.db2.gz OIIRHUUUJICFHM-OCCSQVGLSA-N 1 2 327.388 2.090 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+]2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001032986697 800684371 /nfs/dbraw/zinc/68/43/71/800684371.db2.gz OIIRHUUUJICFHM-OCCSQVGLSA-N 1 2 327.388 2.090 20 30 EEEDLO Cc1[nH]nc(C(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2ccccc2)c1C ZINC001085522246 800696459 /nfs/dbraw/zinc/69/64/59/800696459.db2.gz IJUQUCIBGVOJPO-GOSISDBHSA-N 1 2 336.439 2.225 20 30 EEEDLO Cc1[nH]nc(C(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2ccccc2)c1C ZINC001085522246 800696463 /nfs/dbraw/zinc/69/64/63/800696463.db2.gz IJUQUCIBGVOJPO-GOSISDBHSA-N 1 2 336.439 2.225 20 30 EEEDLO C#Cc1ccc(C(=O)NC2CC[NH+](Cc3ncc(C)s3)CC2)cn1 ZINC001004002633 800759353 /nfs/dbraw/zinc/75/93/53/800759353.db2.gz RXCSIFCEHWUUGZ-UHFFFAOYSA-N 1 2 340.452 2.222 20 30 EEEDLO Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)nn1 ZINC001085589195 800856939 /nfs/dbraw/zinc/85/69/39/800856939.db2.gz GOWIUUYQCVLVAS-ZDUSSCGKSA-N 1 2 341.440 2.065 20 30 EEEDLO Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)nn1 ZINC001085589195 800856945 /nfs/dbraw/zinc/85/69/45/800856945.db2.gz GOWIUUYQCVLVAS-ZDUSSCGKSA-N 1 2 341.440 2.065 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001066283047 800871763 /nfs/dbraw/zinc/87/17/63/800871763.db2.gz PKAIMNXTJUXVAL-INIZCTEOSA-N 1 2 332.448 2.127 20 30 EEEDLO COC1CC(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)c(F)c2)C1 ZINC001085659749 800998327 /nfs/dbraw/zinc/99/83/27/800998327.db2.gz BUQKWCKRGXGFAB-CGZBRXJRSA-N 1 2 345.418 2.155 20 30 EEEDLO COC1CC(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)c(F)c2)C1 ZINC001085659749 800998330 /nfs/dbraw/zinc/99/83/30/800998330.db2.gz BUQKWCKRGXGFAB-CGZBRXJRSA-N 1 2 345.418 2.155 20 30 EEEDLO CC[NH+](CC)[C@H](C(=O)N1CCOC[C@H]1C#N)c1ccccc1Cl ZINC001182219919 801074339 /nfs/dbraw/zinc/07/43/39/801074339.db2.gz DURWKNFOADADQS-CJNGLKHVSA-N 1 2 335.835 2.474 20 30 EEEDLO CSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110263157 801078033 /nfs/dbraw/zinc/07/80/33/801078033.db2.gz NPDDWTVYIXXVPL-BMFZPTHFSA-N 1 2 333.432 2.282 20 30 EEEDLO CSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110263157 801078040 /nfs/dbraw/zinc/07/80/40/801078040.db2.gz NPDDWTVYIXXVPL-BMFZPTHFSA-N 1 2 333.432 2.282 20 30 EEEDLO C#CCCCCCC(=O)NCC1(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001110294348 801175770 /nfs/dbraw/zinc/17/57/70/801175770.db2.gz HDXHUOGDWGNIEB-UHFFFAOYSA-N 1 2 340.431 2.008 20 30 EEEDLO C[C@H](CCCCNc1ncccc1C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001090076963 801203041 /nfs/dbraw/zinc/20/30/41/801203041.db2.gz WOBUNFLSESMYOZ-CQSZACIVSA-N 1 2 340.431 2.396 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C2CC2)no1 ZINC001085827310 801369781 /nfs/dbraw/zinc/36/97/81/801369781.db2.gz OGYDWSJLKCWFSK-KYJSFNMBSA-N 1 2 345.443 2.176 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C2CC2)no1 ZINC001085827310 801369788 /nfs/dbraw/zinc/36/97/88/801369788.db2.gz OGYDWSJLKCWFSK-KYJSFNMBSA-N 1 2 345.443 2.176 20 30 EEEDLO C#CCOc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2cccnc2)cc1 ZINC001085858293 801454055 /nfs/dbraw/zinc/45/40/55/801454055.db2.gz VWWKTVAMUKGCFS-LJQANCHMSA-N 1 2 349.434 2.440 20 30 EEEDLO C#CCOc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2cccnc2)cc1 ZINC001085858293 801454062 /nfs/dbraw/zinc/45/40/62/801454062.db2.gz VWWKTVAMUKGCFS-LJQANCHMSA-N 1 2 349.434 2.440 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)[C@H](CSC(C)=O)Cc2ccccc2)CC1 ZINC001183118892 801464688 /nfs/dbraw/zinc/46/46/88/801464688.db2.gz KKAYCHBSQVAZRG-SFHVURJKSA-N 1 2 346.496 2.455 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2nccs2)C1 ZINC001033086469 801529260 /nfs/dbraw/zinc/52/92/60/801529260.db2.gz IPKWDBGCIYJLPW-KFWWJZLASA-N 1 2 335.473 2.157 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001033086469 801529262 /nfs/dbraw/zinc/52/92/62/801529262.db2.gz IPKWDBGCIYJLPW-KFWWJZLASA-N 1 2 335.473 2.157 20 30 EEEDLO C[C@H](CCCCNc1ncc(C#N)cc1F)NC(=O)Cn1cc[nH+]c1 ZINC001090096942 801558853 /nfs/dbraw/zinc/55/88/53/801558853.db2.gz DISCXCUKZIWYGN-CYBMUJFWSA-N 1 2 344.394 2.076 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)cn1 ZINC001061476730 801702635 /nfs/dbraw/zinc/70/26/35/801702635.db2.gz BYZDONLCZVWKOQ-HNNXBMFYSA-N 1 2 346.394 2.228 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001033105011 801760129 /nfs/dbraw/zinc/76/01/29/801760129.db2.gz XQBDYODVRFGRSH-AWEZNQCLSA-N 1 2 348.834 2.423 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001033105011 801760134 /nfs/dbraw/zinc/76/01/34/801760134.db2.gz XQBDYODVRFGRSH-AWEZNQCLSA-N 1 2 348.834 2.423 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001066361743 801927133 /nfs/dbraw/zinc/92/71/33/801927133.db2.gz QSDQVKVGEKSNSL-HNNXBMFYSA-N 1 2 346.475 2.360 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001066376173 802077209 /nfs/dbraw/zinc/07/72/09/802077209.db2.gz BLCQSMUYDULQDB-CQSZACIVSA-N 1 2 346.475 2.397 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001066380347 802103467 /nfs/dbraw/zinc/10/34/67/802103467.db2.gz KKRISEFTBPVAPR-CABCVRRESA-N 1 2 346.475 2.298 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001066380347 802103470 /nfs/dbraw/zinc/10/34/70/802103470.db2.gz KKRISEFTBPVAPR-CABCVRRESA-N 1 2 346.475 2.298 20 30 EEEDLO CCCc1c(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)cnn1C ZINC001004474339 802166486 /nfs/dbraw/zinc/16/64/86/802166486.db2.gz CPYQKLXDOKBJQI-KRWDZBQOSA-N 1 2 343.475 2.213 20 30 EEEDLO CCCc1c(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)cnn1C ZINC001004474339 802166489 /nfs/dbraw/zinc/16/64/89/802166489.db2.gz CPYQKLXDOKBJQI-KRWDZBQOSA-N 1 2 343.475 2.213 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2F)[C@@H](O)C1 ZINC001090406247 802380261 /nfs/dbraw/zinc/38/02/61/802380261.db2.gz DNHQKJZWKNYZOX-KBPBESRZSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2F)[C@@H](O)C1 ZINC001090406247 802380271 /nfs/dbraw/zinc/38/02/71/802380271.db2.gz DNHQKJZWKNYZOX-KBPBESRZSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001066432557 802404705 /nfs/dbraw/zinc/40/47/05/802404705.db2.gz YUSRZVBMUOIXMY-CVEARBPZSA-N 1 2 346.475 2.062 20 30 EEEDLO Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004579428 802411833 /nfs/dbraw/zinc/41/18/33/802411833.db2.gz BGDNXTDYGHCYJE-GUYCJALGSA-N 1 2 343.475 2.357 20 30 EEEDLO Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004579428 802411838 /nfs/dbraw/zinc/41/18/38/802411838.db2.gz BGDNXTDYGHCYJE-GUYCJALGSA-N 1 2 343.475 2.357 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001066443309 802499977 /nfs/dbraw/zinc/49/99/77/802499977.db2.gz NLBHICMESFAUNJ-GJZGRUSLSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001066503745 802805090 /nfs/dbraw/zinc/80/50/90/802805090.db2.gz MCRRVHCYFPBHJT-KXBFYZLASA-N 1 2 346.475 2.062 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001108275210 802951090 /nfs/dbraw/zinc/95/10/90/802951090.db2.gz ZUPMSBAEOZYEMQ-NSHGMRRFSA-N 1 2 328.456 2.492 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001108275210 802951094 /nfs/dbraw/zinc/95/10/94/802951094.db2.gz ZUPMSBAEOZYEMQ-NSHGMRRFSA-N 1 2 328.456 2.492 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)c3cccnc3)c2C1 ZINC001128554975 802994746 /nfs/dbraw/zinc/99/47/46/802994746.db2.gz MULCLWWXTUCKPQ-HNNXBMFYSA-N 1 2 339.443 2.090 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)c3cccnc3)c2C1 ZINC001128554975 802994753 /nfs/dbraw/zinc/99/47/53/802994753.db2.gz MULCLWWXTUCKPQ-HNNXBMFYSA-N 1 2 339.443 2.090 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)c2ccccc2F)C1 ZINC001108284938 803168618 /nfs/dbraw/zinc/16/86/18/803168618.db2.gz GMUYTACSVAPZMK-DNVCBOLYSA-N 1 2 332.419 2.160 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)c2ccccc2F)C1 ZINC001108284938 803168623 /nfs/dbraw/zinc/16/86/23/803168623.db2.gz GMUYTACSVAPZMK-DNVCBOLYSA-N 1 2 332.419 2.160 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)Cc2ccc(F)cc2)C1 ZINC001108434078 803564442 /nfs/dbraw/zinc/56/44/42/803564442.db2.gz MUVODKDBJSTRIY-KXBFYZLASA-N 1 2 334.435 2.397 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)Cc2ccc(F)cc2)C1 ZINC001108434078 803564446 /nfs/dbraw/zinc/56/44/46/803564446.db2.gz MUVODKDBJSTRIY-KXBFYZLASA-N 1 2 334.435 2.397 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CCCCC(C)(C)C)CC2=O)C1 ZINC001108548442 804034008 /nfs/dbraw/zinc/03/40/08/804034008.db2.gz OCLGFWUPYDDKPZ-HNNXBMFYSA-N 1 2 335.492 2.180 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C[C@H](CC)CCCC)CC2=O)C1 ZINC001108558113 804071037 /nfs/dbraw/zinc/07/10/37/804071037.db2.gz AFXLYUZAQXRAKT-CVEARBPZSA-N 1 2 335.492 2.180 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)CCC3CCCCC3)CC2=O)C1 ZINC001108589423 804248301 /nfs/dbraw/zinc/24/83/01/804248301.db2.gz QZZVZMNFTKEQGF-KRWDZBQOSA-N 1 2 347.503 2.324 20 30 EEEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccncc1Cl ZINC001109251908 805195378 /nfs/dbraw/zinc/19/53/78/805195378.db2.gz PVJBGJOACSMUEX-PVAVHDDUSA-N 1 2 329.831 2.370 20 30 EEEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccncc1Cl ZINC001109251908 805195380 /nfs/dbraw/zinc/19/53/80/805195380.db2.gz PVJBGJOACSMUEX-PVAVHDDUSA-N 1 2 329.831 2.370 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+](CCc2ccccc2Cl)CC1 ZINC001112846558 807404026 /nfs/dbraw/zinc/40/40/26/807404026.db2.gz RQJDFWJGLZXXEW-HNNXBMFYSA-N 1 2 334.847 2.065 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[NH+](C[C@@H](O)c2cccc(OC)c2)CC1 ZINC001112898087 807559510 /nfs/dbraw/zinc/55/95/10/807559510.db2.gz IQRQOTQCFMKBAK-GOSISDBHSA-N 1 2 346.471 2.475 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)C2([C@H]3CCCCO3)CCC2)CC1 ZINC001113094579 808108447 /nfs/dbraw/zinc/10/84/47/808108447.db2.gz YWPYHRYLVLMUSB-QGZVFWFLSA-N 1 2 336.476 2.073 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+](Cc2ccc3c(c2)nnn3C)CC1 ZINC001113246104 808532463 /nfs/dbraw/zinc/53/24/63/808532463.db2.gz GWOWWUBHWLXBBH-HNNXBMFYSA-N 1 2 341.459 2.215 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H](C)[C@@H](C)Nc2[nH+]cnc3c2cnn3C)C1 ZINC001113287342 808652612 /nfs/dbraw/zinc/65/26/12/808652612.db2.gz XJHSACSFELKJRG-VXGBXAGGSA-N 1 2 328.420 2.025 20 30 EEEDLO C#CCOc1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2cc[nH+]c(C)n2)cc1 ZINC001113318789 808720100 /nfs/dbraw/zinc/72/01/00/808720100.db2.gz CLACMLSRJFAXPG-KGLIPLIRSA-N 1 2 338.411 2.416 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001113639835 809423077 /nfs/dbraw/zinc/42/30/77/809423077.db2.gz LNUYUHYPGYMERJ-KGLIPLIRSA-N 1 2 346.475 2.196 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113639799 809423101 /nfs/dbraw/zinc/42/31/01/809423101.db2.gz KWDSTRFUEPPTJB-LSDHHAIUSA-N 1 2 334.464 2.440 20 30 EEEDLO CCOC(CO[NH+]=C(N)c1ccc(Br)cc1)OCC ZINC000792733623 809992812 /nfs/dbraw/zinc/99/28/12/809992812.db2.gz VRYBEELNLBGCLP-UHFFFAOYSA-N 1 2 331.210 2.485 20 30 EEEDLO CCCC[C@H](CNc1ncccc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001114274310 810729290 /nfs/dbraw/zinc/72/92/90/810729290.db2.gz DVIMWUOTEIUYOH-CQSZACIVSA-N 1 2 326.404 2.006 20 30 EEEDLO C=CCn1cccc1C(=O)NCC[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC001129523174 810891268 /nfs/dbraw/zinc/89/12/68/810891268.db2.gz VOJGCLZGJNZSHC-LBPRGKRZSA-N 1 2 329.404 2.015 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](c2n[nH]c(CNC(=O)CC)n2)[C@H](C2CC2)C1 ZINC001130168745 811257668 /nfs/dbraw/zinc/25/76/68/811257668.db2.gz BZKFESALXWYQSP-QWHCGFSZSA-N 1 2 337.855 2.009 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2n[nH]c(CNC(=O)CC)n2)[C@H](C2CC2)C1 ZINC001130168745 811257674 /nfs/dbraw/zinc/25/76/74/811257674.db2.gz BZKFESALXWYQSP-QWHCGFSZSA-N 1 2 337.855 2.009 20 30 EEEDLO C=CCOc1ccccc1C(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001130374032 811526279 /nfs/dbraw/zinc/52/62/79/811526279.db2.gz CNNCGUSUZLIGDR-UHFFFAOYSA-N 1 2 348.834 2.158 20 30 EEEDLO C=CCOc1ccccc1C(=O)NCC[NH2+][C@H](C)c1nnc(CC)o1 ZINC001130374565 811527119 /nfs/dbraw/zinc/52/71/19/811527119.db2.gz WLCINVPXRWTDTD-CYBMUJFWSA-N 1 2 344.415 2.277 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](c2nnc(C)[nH]2)C2(C[NH+](C/C=C/Cl)C2)C1 ZINC001130460830 811701106 /nfs/dbraw/zinc/70/11/06/811701106.db2.gz ACDUBIAVHOIGBC-DYLGSBMWSA-N 1 2 349.866 2.060 20 30 EEEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCCCCC)C1 ZINC001131316535 812654943 /nfs/dbraw/zinc/65/49/43/812654943.db2.gz MMKAAWCQJWLBKF-ZACQAIPSSA-N 1 2 349.475 2.249 20 30 EEEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCCCCC)C1 ZINC001131316535 812654950 /nfs/dbraw/zinc/65/49/50/812654950.db2.gz MMKAAWCQJWLBKF-ZACQAIPSSA-N 1 2 349.475 2.249 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)COC)C[C@H](C)O2 ZINC001131673570 813125241 /nfs/dbraw/zinc/12/52/41/813125241.db2.gz OZMDTSOLQIRDHC-WMLDXEAASA-N 1 2 344.883 2.103 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)COC)C[C@H](C)O2 ZINC001131673570 813125245 /nfs/dbraw/zinc/12/52/45/813125245.db2.gz OZMDTSOLQIRDHC-WMLDXEAASA-N 1 2 344.883 2.103 20 30 EEEDLO CN(CC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)C(C)(C)C ZINC001437966150 1090560443 /nfs/dbraw/zinc/56/04/43/1090560443.db2.gz DMFUOHYHCLETLK-UHFFFAOYSA-N 1 2 342.487 2.180 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnn(-c2cccnc2)c1 ZINC001440930740 1094183410 /nfs/dbraw/zinc/18/34/10/1094183410.db2.gz CBQGYIVKXSWKGQ-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnn(-c2cccnc2)c1 ZINC001440930740 1094183414 /nfs/dbraw/zinc/18/34/14/1094183414.db2.gz CBQGYIVKXSWKGQ-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO CC[C@H](C)c1ccc(NC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)C#N)cc1 ZINC001442382401 1096705284 /nfs/dbraw/zinc/70/52/84/1096705284.db2.gz TYLRANLSGUXINB-GJZGRUSLSA-N 1 2 344.459 2.346 20 30 EEEDLO CC[C@H](C)c1ccc(NC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)C#N)cc1 ZINC001442382401 1096705292 /nfs/dbraw/zinc/70/52/92/1096705292.db2.gz TYLRANLSGUXINB-GJZGRUSLSA-N 1 2 344.459 2.346 20 30 EEEDLO Cc1ccccc1-c1cnc(C[NH+]2CC(CNC(=O)[C@H](C)C#N)C2)o1 ZINC001443570656 1098065667 /nfs/dbraw/zinc/06/56/67/1098065667.db2.gz LWYXMIKVFFVGSF-CQSZACIVSA-N 1 2 338.411 2.358 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C1(COC)CCOCC1 ZINC001480319249 1100059620 /nfs/dbraw/zinc/05/96/20/1100059620.db2.gz ODLQJFHUSVDUDS-OAHLLOKOSA-N 1 2 344.883 2.153 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1(COC)CCOCC1 ZINC001480319249 1100059630 /nfs/dbraw/zinc/05/96/30/1100059630.db2.gz ODLQJFHUSVDUDS-OAHLLOKOSA-N 1 2 344.883 2.153 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)CC[C@@H]1CCCO1 ZINC001496661205 1101265003 /nfs/dbraw/zinc/26/50/03/1101265003.db2.gz YHMARISLSHXZAU-SFHVURJKSA-N 1 2 329.444 2.408 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)CC[C@@H]1CCCO1 ZINC001496661205 1101265007 /nfs/dbraw/zinc/26/50/07/1101265007.db2.gz YHMARISLSHXZAU-SFHVURJKSA-N 1 2 329.444 2.408 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(OC)ns2)C1 ZINC001494317567 1103890133 /nfs/dbraw/zinc/89/01/33/1103890133.db2.gz XRYDUQAUEJITFN-AWEZNQCLSA-N 1 2 335.473 2.426 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(OC)ns2)C1 ZINC001494317567 1103890143 /nfs/dbraw/zinc/89/01/43/1103890143.db2.gz XRYDUQAUEJITFN-AWEZNQCLSA-N 1 2 335.473 2.426 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001498334984 1107316337 /nfs/dbraw/zinc/31/63/37/1107316337.db2.gz BQYZTVWQUSNQIH-LBPRGKRZSA-N 1 2 335.835 2.374 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001498334984 1107316349 /nfs/dbraw/zinc/31/63/49/1107316349.db2.gz BQYZTVWQUSNQIH-LBPRGKRZSA-N 1 2 335.835 2.374 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2ncc(-c3cccs3)o2)CC1 ZINC001499182848 1112166133 /nfs/dbraw/zinc/16/61/33/1112166133.db2.gz OKBRVRMKVIIZFU-NSHDSACASA-N 1 2 330.413 2.301 20 30 EEEDLO COCC[N@@H+](CC#Cc1ccccc1Cl)CCNC(=O)[C@@H]1C[C@H]1C ZINC001508049662 1115402406 /nfs/dbraw/zinc/40/24/06/1115402406.db2.gz JEFKVFUVNYRKDA-NVXWUHKLSA-N 1 2 348.874 2.412 20 30 EEEDLO COCC[N@H+](CC#Cc1ccccc1Cl)CCNC(=O)[C@@H]1C[C@H]1C ZINC001508049662 1115402408 /nfs/dbraw/zinc/40/24/08/1115402408.db2.gz JEFKVFUVNYRKDA-NVXWUHKLSA-N 1 2 348.874 2.412 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C[C@@H]1CCOC1)C1CC1 ZINC001520325447 1119146266 /nfs/dbraw/zinc/14/62/66/1119146266.db2.gz HGPJAGJGCHNCAN-INIZCTEOSA-N 1 2 345.491 2.455 20 30 EEEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)C[C@@H](C)C#N ZINC001524369673 1120079373 /nfs/dbraw/zinc/07/93/73/1120079373.db2.gz YAMKRHQAWIZCNF-HOTGVXAUSA-N 1 2 346.479 2.232 20 30 EEEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)C[C@@H](C)C#N ZINC001524369673 1120079378 /nfs/dbraw/zinc/07/93/78/1120079378.db2.gz YAMKRHQAWIZCNF-HOTGVXAUSA-N 1 2 346.479 2.232 20 30 EEEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)C[C@H](C)C#N ZINC001524369675 1120079691 /nfs/dbraw/zinc/07/96/91/1120079691.db2.gz YAMKRHQAWIZCNF-HZPDHXFCSA-N 1 2 346.479 2.232 20 30 EEEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)C[C@H](C)C#N ZINC001524369675 1120079697 /nfs/dbraw/zinc/07/96/97/1120079697.db2.gz YAMKRHQAWIZCNF-HZPDHXFCSA-N 1 2 346.479 2.232 20 30 EEEDLO C[C@@H]1COCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000328792022 539760694 /nfs/dbraw/zinc/76/06/94/539760694.db2.gz RGBVMGMRCKOFPH-CJNGLKHVSA-N 1 2 348.447 2.105 20 30 EEEDLO C[C@@H]1COCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000328792022 539760697 /nfs/dbraw/zinc/76/06/97/539760697.db2.gz RGBVMGMRCKOFPH-CJNGLKHVSA-N 1 2 348.447 2.105 20 30 EEEDLO COC[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000093528331 237049560 /nfs/dbraw/zinc/04/95/60/237049560.db2.gz MFWAUIIQTALCMG-GOSISDBHSA-N 1 2 340.427 2.311 20 30 EEEDLO COC[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000093528331 237049571 /nfs/dbraw/zinc/04/95/71/237049571.db2.gz MFWAUIIQTALCMG-GOSISDBHSA-N 1 2 340.427 2.311 20 30 EEEDLO C[C@@H]1C[C@@H](C)CN(C(NCc2cccs2)=[NH+]CC(=O)N(C)C)C1 ZINC000113983089 237169905 /nfs/dbraw/zinc/16/99/05/237169905.db2.gz GRNGHPXFCRKYGV-ZIAGYGMSSA-N 1 2 336.505 2.260 20 30 EEEDLO COc1cccc(CC(=O)N2CC[NH+](CC#Cc3ccccc3)CC2)c1 ZINC000191964636 237280784 /nfs/dbraw/zinc/28/07/84/237280784.db2.gz HCCMHZHIAIWEMG-UHFFFAOYSA-N 1 2 348.446 2.434 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CCCC#N ZINC000291534304 238174612 /nfs/dbraw/zinc/17/46/12/238174612.db2.gz RJYNKZDEHJCKOI-QGZVFWFLSA-N 1 2 329.444 2.430 20 30 EEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000330262300 238188666 /nfs/dbraw/zinc/18/86/66/238188666.db2.gz UUVOBJVXQIETIW-LSDHHAIUSA-N 1 2 345.447 2.082 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054393648 201132273 /nfs/dbraw/zinc/13/22/73/201132273.db2.gz DLXFMVMWXUXYGX-AWEZNQCLSA-N 1 2 342.443 2.011 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054393648 201132275 /nfs/dbraw/zinc/13/22/75/201132275.db2.gz DLXFMVMWXUXYGX-AWEZNQCLSA-N 1 2 342.443 2.011 20 30 EEEDLO Cc1cc(NC(=O)C[NH+]2CCC(C#N)CC2)n(-c2ccc(F)cc2)n1 ZINC000057879405 201139841 /nfs/dbraw/zinc/13/98/41/201139841.db2.gz NIOAXZDAMVTLBW-UHFFFAOYSA-N 1 2 341.390 2.494 20 30 EEEDLO Cn1cc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1C#N ZINC000191446033 239117687 /nfs/dbraw/zinc/11/76/87/239117687.db2.gz WWBLEFNDVOQWMQ-OALUTQOASA-N 1 2 325.412 2.221 20 30 EEEDLO Cn1cc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1C#N ZINC000191446033 239117692 /nfs/dbraw/zinc/11/76/92/239117692.db2.gz WWBLEFNDVOQWMQ-OALUTQOASA-N 1 2 325.412 2.221 20 30 EEEDLO C=CCCN(C)C(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000276362979 201294898 /nfs/dbraw/zinc/29/48/98/201294898.db2.gz FZUSLYZFBOPLFW-OAHLLOKOSA-N 1 2 345.443 2.053 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000285522155 201332875 /nfs/dbraw/zinc/33/28/75/201332875.db2.gz KIFFQRURYVQLSM-OAHLLOKOSA-N 1 2 341.333 2.276 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000285522155 201332878 /nfs/dbraw/zinc/33/28/78/201332878.db2.gz KIFFQRURYVQLSM-OAHLLOKOSA-N 1 2 341.333 2.276 20 30 EEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000191839504 239332084 /nfs/dbraw/zinc/33/20/84/239332084.db2.gz SUPSBNRWPUKUPK-OAHLLOKOSA-N 1 2 337.217 2.312 20 30 EEEDLO N#Cc1ccc(Br)c(C[N@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000191839504 239332089 /nfs/dbraw/zinc/33/20/89/239332089.db2.gz SUPSBNRWPUKUPK-OAHLLOKOSA-N 1 2 337.217 2.312 20 30 EEEDLO N#Cc1ccc(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC000446663479 242208708 /nfs/dbraw/zinc/20/87/08/242208708.db2.gz IOXKLKHAXLXFTA-UHFFFAOYSA-N 1 2 349.325 2.460 20 30 EEEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000455776130 244075792 /nfs/dbraw/zinc/07/57/92/244075792.db2.gz OLMJSICMSUJHHJ-GOSISDBHSA-N 1 2 341.455 2.060 20 30 EEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cccc(CC#N)c1 ZINC000455900601 244104947 /nfs/dbraw/zinc/10/49/47/244104947.db2.gz CHFAPZPMHNIBMX-YOEHRIQHSA-N 1 2 328.416 2.080 20 30 EEEDLO CCC[N@H+](Cc1cn2ccccc2c1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000073621393 203270825 /nfs/dbraw/zinc/27/08/25/203270825.db2.gz ZHXHSCZPWYXVDX-OAHLLOKOSA-N 1 2 331.441 2.210 20 30 EEEDLO CCC[N@@H+](Cc1cn2ccccc2c1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000073621393 203270829 /nfs/dbraw/zinc/27/08/29/203270829.db2.gz ZHXHSCZPWYXVDX-OAHLLOKOSA-N 1 2 331.441 2.210 20 30 EEEDLO C=C(C)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000156193221 205062898 /nfs/dbraw/zinc/06/28/98/205062898.db2.gz HCKXGYFEHYILFZ-MRXNPFEDSA-N 1 2 344.415 2.402 20 30 EEEDLO N#Cc1ccc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000244061273 205105548 /nfs/dbraw/zinc/10/55/48/205105548.db2.gz TYWFUBATRXVZKO-UHFFFAOYSA-N 1 2 335.411 2.104 20 30 EEEDLO N#Cc1c(NCc2ccc[nH+]c2N2CCOCC2)nc2ccccn21 ZINC000263949132 245895865 /nfs/dbraw/zinc/89/58/65/245895865.db2.gz CVZHEXWFLDVWFH-UHFFFAOYSA-N 1 2 334.383 2.050 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)CC2=Cc3ccccc3OC2)n1 ZINC000491705220 246118442 /nfs/dbraw/zinc/11/84/42/246118442.db2.gz LJRXTSVBXQRPIG-UHFFFAOYSA-N 1 2 337.423 2.441 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)CC2=Cc3ccccc3OC2)n1 ZINC000491705220 246118450 /nfs/dbraw/zinc/11/84/50/246118450.db2.gz LJRXTSVBXQRPIG-UHFFFAOYSA-N 1 2 337.423 2.441 20 30 EEEDLO CC[C@H]1C[N@H+](CCNC(=O)N[C@H](CCC#N)c2ccccc2)CCO1 ZINC000495259649 247102626 /nfs/dbraw/zinc/10/26/26/247102626.db2.gz NIKFYAVIQDSJMN-ZWKOTPCHSA-N 1 2 344.459 2.441 20 30 EEEDLO CC[C@H]1C[N@@H+](CCNC(=O)N[C@H](CCC#N)c2ccccc2)CCO1 ZINC000495259649 247102630 /nfs/dbraw/zinc/10/26/30/247102630.db2.gz NIKFYAVIQDSJMN-ZWKOTPCHSA-N 1 2 344.459 2.441 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000265129850 247230759 /nfs/dbraw/zinc/23/07/59/247230759.db2.gz MSKDZPCLXNOTGJ-CYBMUJFWSA-N 1 2 338.371 2.140 20 30 EEEDLO CCn1cc[nH+]c1CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000496176166 247363840 /nfs/dbraw/zinc/36/38/40/247363840.db2.gz SKPXLVBJDZYPSX-ZDUSSCGKSA-N 1 2 349.435 2.106 20 30 EEEDLO C=CC[N@H+](Cc1c[nH]nc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361153 218136015 /nfs/dbraw/zinc/13/60/15/218136015.db2.gz HVOMBGCXJMAPRL-MRXNPFEDSA-N 1 2 331.441 2.252 20 30 EEEDLO C=CC[N@@H+](Cc1c[nH]nc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361153 218136017 /nfs/dbraw/zinc/13/60/17/218136017.db2.gz HVOMBGCXJMAPRL-MRXNPFEDSA-N 1 2 331.441 2.252 20 30 EEEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(CCc3ccccc3)CC2)cc1 ZINC000268648701 252101052 /nfs/dbraw/zinc/10/10/52/252101052.db2.gz VFHQYPGFEIWHRQ-NRFANRHFSA-N 1 2 335.451 2.452 20 30 EEEDLO N#Cc1cccc(C2([NH2+]Cc3cn(Cc4cccnc4)nn3)CC2)c1 ZINC000273056604 256261142 /nfs/dbraw/zinc/26/11/42/256261142.db2.gz LMONCRSRYMBKTI-UHFFFAOYSA-N 1 2 330.395 2.372 20 30 EEEDLO C[C@H]1CCN(C(=O)Cc2cccc(OCC#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000089852210 533597832 /nfs/dbraw/zinc/59/78/32/533597832.db2.gz YOFABXBNBKKIRL-MAUKXSAKSA-N 1 2 338.411 2.438 20 30 EEEDLO CCOc1cc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)ccc1OC ZINC000115600375 152032455 /nfs/dbraw/zinc/03/24/55/152032455.db2.gz LWDGHWCXLTVUMS-SFHVURJKSA-N 1 2 339.395 2.282 20 30 EEEDLO COc1ccc(C#N)cc1C[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000360319443 164283439 /nfs/dbraw/zinc/28/34/39/164283439.db2.gz WFWZVTRROGTIOC-UHFFFAOYSA-N 1 2 330.432 2.193 20 30 EEEDLO CCCCc1noc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000368637190 166095392 /nfs/dbraw/zinc/09/53/92/166095392.db2.gz JSDKKNXZGJXZIV-AWEZNQCLSA-N 1 2 327.388 2.332 20 30 EEEDLO CCCCc1noc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000368637190 166095397 /nfs/dbraw/zinc/09/53/97/166095397.db2.gz JSDKKNXZGJXZIV-AWEZNQCLSA-N 1 2 327.388 2.332 20 30 EEEDLO CC(C)(C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[NH+]1CCOCC1 ZINC000374904232 167064315 /nfs/dbraw/zinc/06/43/15/167064315.db2.gz SVMWXGHGELAPBY-UHFFFAOYSA-N 1 2 339.439 2.285 20 30 EEEDLO Cc1c(C#N)cccc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376583033 167355251 /nfs/dbraw/zinc/35/52/51/167355251.db2.gz FBOQMAWFIFMHHW-BBRMVZONSA-N 1 2 328.416 2.194 20 30 EEEDLO C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1nnc2ccccn21 ZINC000298896435 270018642 /nfs/dbraw/zinc/01/86/42/270018642.db2.gz MCFPQCBRHKJNCH-XJKSGUPXSA-N 1 2 346.394 2.057 20 30 EEEDLO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292224855 267004585 /nfs/dbraw/zinc/00/45/85/267004585.db2.gz PFKWOAICMPRCFS-SMDDNHRTSA-N 1 2 325.372 2.428 20 30 EEEDLO C[C@@H](c1nc(C2CC2)no1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292224855 267004590 /nfs/dbraw/zinc/00/45/90/267004590.db2.gz PFKWOAICMPRCFS-SMDDNHRTSA-N 1 2 325.372 2.428 20 30 EEEDLO C[C@@H]1CN(c2cc(C(F)(F)F)cnc2C#N)C[C@@H]1[NH+]1CCOCC1 ZINC000334061688 267060603 /nfs/dbraw/zinc/06/06/03/267060603.db2.gz YUEASTFZWKGPKM-ABAIWWIYSA-N 1 2 340.349 2.129 20 30 EEEDLO CCOC(=O)[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)C1CCOCC1 ZINC000443068625 267133893 /nfs/dbraw/zinc/13/38/93/267133893.db2.gz WEFZBYITDXKZPQ-QGZVFWFLSA-N 1 2 332.400 2.015 20 30 EEEDLO Cc1ccc(C#N)cc1NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000298369501 267388745 /nfs/dbraw/zinc/38/87/45/267388745.db2.gz KQMUIKORJCUJFS-HNNXBMFYSA-N 1 2 341.415 2.482 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)c([N+](=O)[O-])c1 ZINC000299577263 268118640 /nfs/dbraw/zinc/11/86/40/268118640.db2.gz CITYCECOGONLQA-UHFFFAOYSA-N 1 2 338.367 2.494 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nc(-c4ccco4)no3)C2)nc1 ZINC000292364619 268185969 /nfs/dbraw/zinc/18/59/69/268185969.db2.gz YFGBFYFTJZHEFM-ZDUSSCGKSA-N 1 2 337.339 2.250 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nc(-c4ccco4)no3)C2)nc1 ZINC000292364619 268185973 /nfs/dbraw/zinc/18/59/73/268185973.db2.gz YFGBFYFTJZHEFM-ZDUSSCGKSA-N 1 2 337.339 2.250 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285544194 268308861 /nfs/dbraw/zinc/30/88/61/268308861.db2.gz LTOWRONHNJRCPO-CYBMUJFWSA-N 1 2 347.362 2.338 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285544194 268308862 /nfs/dbraw/zinc/30/88/62/268308862.db2.gz LTOWRONHNJRCPO-CYBMUJFWSA-N 1 2 347.362 2.338 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000274814940 269057101 /nfs/dbraw/zinc/05/71/01/269057101.db2.gz AHLLVAHJAZDTCY-MRXNPFEDSA-N 1 2 331.416 2.284 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000274814940 269057104 /nfs/dbraw/zinc/05/71/04/269057104.db2.gz AHLLVAHJAZDTCY-MRXNPFEDSA-N 1 2 331.416 2.284 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000275248294 269104453 /nfs/dbraw/zinc/10/44/53/269104453.db2.gz GBVIGJIYVFUNSL-ZBFHGGJFSA-N 1 2 325.372 2.334 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1cccc(Br)c1 ZINC000493543624 289204087 /nfs/dbraw/zinc/20/40/87/289204087.db2.gz HCMVPAOMSYYRJP-ZPIQOJFGSA-N 1 2 336.233 2.422 20 30 EEEDLO CC[N@H+](CCCNS(=O)(=O)c1ccc(C#N)nc1)c1ccccc1 ZINC000170656983 311393540 /nfs/dbraw/zinc/39/35/40/311393540.db2.gz VDNCFBZCLRPQJU-UHFFFAOYSA-N 1 2 344.440 2.148 20 30 EEEDLO CC[N@@H+](CCCNS(=O)(=O)c1ccc(C#N)nc1)c1ccccc1 ZINC000170656983 311393541 /nfs/dbraw/zinc/39/35/41/311393541.db2.gz VDNCFBZCLRPQJU-UHFFFAOYSA-N 1 2 344.440 2.148 20 30 EEEDLO COC(=O)[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C1CCCCC1 ZINC000543543753 318161168 /nfs/dbraw/zinc/16/11/68/318161168.db2.gz BTRIPKOZLHGPJB-SJLPKXTDSA-N 1 2 346.427 2.009 20 30 EEEDLO COc1cc(C#N)ccc1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000546002955 318240069 /nfs/dbraw/zinc/24/00/69/318240069.db2.gz HETJUPKMXVGECJ-CYBMUJFWSA-N 1 2 325.372 2.322 20 30 EEEDLO C=CC[N@@H+](Cc1cc(OC)c(OC)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000092361426 462947451 /nfs/dbraw/zinc/94/74/51/462947451.db2.gz NWWDOWGHBUJPME-OAHLLOKOSA-N 1 2 339.457 2.187 20 30 EEEDLO C=CC[N@H+](Cc1cc(OC)c(OC)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000092361426 462947458 /nfs/dbraw/zinc/94/74/58/462947458.db2.gz NWWDOWGHBUJPME-OAHLLOKOSA-N 1 2 339.457 2.187 20 30 EEEDLO CCc1ccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)nc1 ZINC000339052087 465054248 /nfs/dbraw/zinc/05/42/48/465054248.db2.gz CTTFCWTYLZPEMT-QRWLVFNGSA-N 1 2 332.407 2.489 20 30 EEEDLO CCc1ccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)nc1 ZINC000339052087 465054251 /nfs/dbraw/zinc/05/42/51/465054251.db2.gz CTTFCWTYLZPEMT-QRWLVFNGSA-N 1 2 332.407 2.489 20 30 EEEDLO CC(C)OCCC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000328628012 465079058 /nfs/dbraw/zinc/07/90/58/465079058.db2.gz GTYQERVJJHFUQV-GJZGRUSLSA-N 1 2 326.416 2.104 20 30 EEEDLO CC(C)OCCC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000328628012 465079066 /nfs/dbraw/zinc/07/90/66/465079066.db2.gz GTYQERVJJHFUQV-GJZGRUSLSA-N 1 2 326.416 2.104 20 30 EEEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000328682803 465098933 /nfs/dbraw/zinc/09/89/33/465098933.db2.gz OXKVYZVOTCKGIH-NUEKZKHPSA-N 1 2 330.432 2.181 20 30 EEEDLO Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)no1 ZINC000328763672 465122447 /nfs/dbraw/zinc/12/24/47/465122447.db2.gz ZONRLCHJAPYDTG-KGLIPLIRSA-N 1 2 342.403 2.103 20 30 EEEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1S(=O)(=O)CC1(C#N)CC1)CCCC2 ZINC000328817308 465136836 /nfs/dbraw/zinc/13/68/36/465136836.db2.gz OBELAOZBDWOAER-HNNXBMFYSA-N 1 2 348.472 2.069 20 30 EEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC[C@@H](C2CCOCC2)C1 ZINC000328823284 465139608 /nfs/dbraw/zinc/13/96/08/465139608.db2.gz IIGJEYMBOOUGKC-JKSUJKDBSA-N 1 2 332.448 2.423 20 30 EEEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328935510 465174161 /nfs/dbraw/zinc/17/41/61/465174161.db2.gz CJZJILOBASFHIE-CFVMTHIKSA-N 1 2 346.431 2.282 20 30 EEEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328935510 465174169 /nfs/dbraw/zinc/17/41/69/465174169.db2.gz CJZJILOBASFHIE-CFVMTHIKSA-N 1 2 346.431 2.282 20 30 EEEDLO Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)nn1 ZINC000328954066 465181285 /nfs/dbraw/zinc/18/12/85/465181285.db2.gz MRCNQAIPGFMONO-CABCVRRESA-N 1 2 340.431 2.169 20 30 EEEDLO CC[C@@](C)(C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000354943408 465214232 /nfs/dbraw/zinc/21/42/32/465214232.db2.gz RFFPBGMQKZZLPB-PBHICJAKSA-N 1 2 333.436 2.131 20 30 EEEDLO CC[C@@](C)(C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000354943408 465214241 /nfs/dbraw/zinc/21/42/41/465214241.db2.gz RFFPBGMQKZZLPB-PBHICJAKSA-N 1 2 333.436 2.131 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)C1=O ZINC000337174961 465228750 /nfs/dbraw/zinc/22/87/50/465228750.db2.gz HMYBJLHLGCFYNU-LMMKCTJWSA-N 1 2 327.472 2.368 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)C1=O ZINC000337174961 465228756 /nfs/dbraw/zinc/22/87/56/465228756.db2.gz HMYBJLHLGCFYNU-LMMKCTJWSA-N 1 2 327.472 2.368 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCc2c[nH]nc2C1)C1CCOCC1 ZINC000329144327 465246996 /nfs/dbraw/zinc/24/69/96/465246996.db2.gz WFSYHYCYVUEZKA-CZUORRHYSA-N 1 2 343.431 2.373 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(CC)cc2)C1=O ZINC000337235662 465259095 /nfs/dbraw/zinc/25/90/95/465259095.db2.gz XPURMHJQUSQHOX-YJBOKZPZSA-N 1 2 343.471 2.145 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(CC)cc2)C1=O ZINC000337235662 465259098 /nfs/dbraw/zinc/25/90/98/465259098.db2.gz XPURMHJQUSQHOX-YJBOKZPZSA-N 1 2 343.471 2.145 20 30 EEEDLO O=[N+]([O-])c1cccnc1N1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000298018946 465277426 /nfs/dbraw/zinc/27/74/26/465277426.db2.gz DJKVQLVVBFKRIW-UHFFFAOYSA-N 1 2 340.358 2.303 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000341980949 465281743 /nfs/dbraw/zinc/28/17/43/465281743.db2.gz QGUTWTDMNMQLFI-UHFFFAOYSA-N 1 2 345.447 2.189 20 30 EEEDLO C=CCNC(=O)CN1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000342696724 465342057 /nfs/dbraw/zinc/34/20/57/465342057.db2.gz RKMIKBBMTHWUQU-KRWDZBQOSA-N 1 2 333.863 2.247 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000127414114 462550326 /nfs/dbraw/zinc/55/03/26/462550326.db2.gz VABWZQNHGKXVIX-CABCVRRESA-N 1 2 348.443 2.099 20 30 EEEDLO CC[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)C[C@@H](C)C#N ZINC000064249159 462690601 /nfs/dbraw/zinc/69/06/01/462690601.db2.gz FDVWSXCQUALWCU-KRWDZBQOSA-N 1 2 343.471 2.333 20 30 EEEDLO CC[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)C[C@@H](C)C#N ZINC000064249159 462690605 /nfs/dbraw/zinc/69/06/05/462690605.db2.gz FDVWSXCQUALWCU-KRWDZBQOSA-N 1 2 343.471 2.333 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000064442104 462703757 /nfs/dbraw/zinc/70/37/57/462703757.db2.gz KBSMDLGBCVYDRU-UHFFFAOYSA-N 1 2 339.208 2.369 20 30 EEEDLO CCOC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000007386374 462733394 /nfs/dbraw/zinc/73/33/94/462733394.db2.gz PWKBQWSWVCTMOC-CYBMUJFWSA-N 1 2 329.400 2.160 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000116324950 462755143 /nfs/dbraw/zinc/75/51/43/462755143.db2.gz BIZIMTCDMXZZNY-OAHLLOKOSA-N 1 2 333.457 2.097 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000116324950 462755146 /nfs/dbraw/zinc/75/51/46/462755146.db2.gz BIZIMTCDMXZZNY-OAHLLOKOSA-N 1 2 333.457 2.097 20 30 EEEDLO N#C[C@@H]1CC[C@@H](n2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000590724919 468317725 /nfs/dbraw/zinc/31/77/25/468317725.db2.gz VSELSPLBAFFABO-ZACQAIPSSA-N 1 2 338.415 2.111 20 30 EEEDLO N#C[C@@H]1CC[C@@H](n2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000590724919 468317729 /nfs/dbraw/zinc/31/77/29/468317729.db2.gz VSELSPLBAFFABO-ZACQAIPSSA-N 1 2 338.415 2.111 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc4ccccc4c3)n2C)CC1 ZINC000491192038 468318071 /nfs/dbraw/zinc/31/80/71/468318071.db2.gz KLKBTYHTVKEFCB-UHFFFAOYSA-N 1 2 331.423 2.391 20 30 EEEDLO C#CCNC(=O)C1CC[NH+](CC(=O)Nc2c(C)cccc2Cl)CC1 ZINC000491202399 468321187 /nfs/dbraw/zinc/32/11/87/468321187.db2.gz NWWQMWVEQGOUBN-UHFFFAOYSA-N 1 2 347.846 2.048 20 30 EEEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000012665964 462862417 /nfs/dbraw/zinc/86/24/17/462862417.db2.gz ZYKAYHDNFFDZKN-AWEZNQCLSA-N 1 2 334.379 2.332 20 30 EEEDLO C[C@H]([C@H](C)NC(=O)N[C@@H](CCC#N)c1ccccc1)[NH+]1CCOCC1 ZINC000133002575 462893110 /nfs/dbraw/zinc/89/31/10/462893110.db2.gz MEGRPNBTBFPVLF-JZXOWHBKSA-N 1 2 344.459 2.440 20 30 EEEDLO COc1cccc2c1C[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000590759701 468330937 /nfs/dbraw/zinc/33/09/37/468330937.db2.gz JCTFQATZSQOUAA-IFXJQAMLSA-N 1 2 329.444 2.496 20 30 EEEDLO COc1cccc2c1C[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000590759701 468330943 /nfs/dbraw/zinc/33/09/43/468330943.db2.gz JCTFQATZSQOUAA-IFXJQAMLSA-N 1 2 329.444 2.496 20 30 EEEDLO CCSc1cccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000120847561 463046750 /nfs/dbraw/zinc/04/67/50/463046750.db2.gz YJRQNSKGHBCSKU-UHFFFAOYSA-N 1 2 347.484 2.487 20 30 EEEDLO C#CCNC(=O)c1ccccc1NCc1[nH+]ccn1CC(F)(F)F ZINC000095402828 463076984 /nfs/dbraw/zinc/07/69/84/463076984.db2.gz KSHUDWBVVUUMCG-UHFFFAOYSA-N 1 2 336.317 2.421 20 30 EEEDLO C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000052442382 463079522 /nfs/dbraw/zinc/07/95/22/463079522.db2.gz JCIPLRIUQRQFSV-INIZCTEOSA-N 1 2 349.438 2.127 20 30 EEEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000068429055 463136207 /nfs/dbraw/zinc/13/62/07/463136207.db2.gz OHOGUKOWMVYQEQ-ZDUSSCGKSA-N 1 2 334.851 2.248 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000078730446 463144079 /nfs/dbraw/zinc/14/40/79/463144079.db2.gz GQRXJKWLHCATOI-OAHLLOKOSA-N 1 2 325.416 2.065 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000078730446 463144085 /nfs/dbraw/zinc/14/40/85/463144085.db2.gz GQRXJKWLHCATOI-OAHLLOKOSA-N 1 2 325.416 2.065 20 30 EEEDLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@H+](CC)C[C@H](C)C#N ZINC000157633840 463152136 /nfs/dbraw/zinc/15/21/36/463152136.db2.gz FVIMAPVMJHEGHK-OAHLLOKOSA-N 1 2 345.443 2.288 20 30 EEEDLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@@H+](CC)C[C@H](C)C#N ZINC000157633840 463152138 /nfs/dbraw/zinc/15/21/38/463152138.db2.gz FVIMAPVMJHEGHK-OAHLLOKOSA-N 1 2 345.443 2.288 20 30 EEEDLO CCN(CCC#N)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000121573212 463160075 /nfs/dbraw/zinc/16/00/75/463160075.db2.gz LBPVFHPXWBIJOP-OAHLLOKOSA-N 1 2 332.423 2.098 20 30 EEEDLO C=CCOCCCC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000079542218 463225326 /nfs/dbraw/zinc/22/53/26/463225326.db2.gz AVKGLWFOYZYNKP-LJQANCHMSA-N 1 2 346.471 2.467 20 30 EEEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000028708684 463231675 /nfs/dbraw/zinc/23/16/75/463231675.db2.gz CARNJHDQYPDTDA-HXUWFJFHSA-N 1 2 346.434 2.486 20 30 EEEDLO Cc1cccc(NC(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1C ZINC000028753604 463232549 /nfs/dbraw/zinc/23/25/49/463232549.db2.gz HRUPSIBSHBYWMF-UHFFFAOYSA-N 1 2 349.438 2.331 20 30 EEEDLO CC[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C[C@@H](C)C#N ZINC000140440161 463342039 /nfs/dbraw/zinc/34/20/39/463342039.db2.gz NPOCYNNZXJGEHQ-NSHDSACASA-N 1 2 349.232 2.439 20 30 EEEDLO CC[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C[C@@H](C)C#N ZINC000140440161 463342041 /nfs/dbraw/zinc/34/20/41/463342041.db2.gz NPOCYNNZXJGEHQ-NSHDSACASA-N 1 2 349.232 2.439 20 30 EEEDLO Cc1nc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)ccc1C#N ZINC000032313629 463371055 /nfs/dbraw/zinc/37/10/55/463371055.db2.gz JPNFHWLRAOQZBT-UHFFFAOYSA-N 1 2 331.379 2.437 20 30 EEEDLO C=C(C)COCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000162313596 463500513 /nfs/dbraw/zinc/50/05/13/463500513.db2.gz ZJBBSPSXQLHQSN-INIZCTEOSA-N 1 2 349.450 2.045 20 30 EEEDLO C[C@@H]1CCN(C(=O)Cc2ccc(OCC#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000125330554 463531738 /nfs/dbraw/zinc/53/17/38/463531738.db2.gz MKESOKWGRVHZJG-CRAIPNDOSA-N 1 2 338.411 2.438 20 30 EEEDLO Cc1nnc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000043412256 463639969 /nfs/dbraw/zinc/63/99/69/463639969.db2.gz KNKHGILAKYUIOX-UHFFFAOYSA-N 1 2 342.428 2.068 20 30 EEEDLO N#Cc1cc([N+](=O)[O-])ccc1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000170606525 463682667 /nfs/dbraw/zinc/68/26/67/463682667.db2.gz TUXSQIMDEVHMFN-OAHLLOKOSA-N 1 2 327.344 2.140 20 30 EEEDLO C[C@@H]1CN(c2ccc(CNC(=O)C3(C#N)CCCC3)c[nH+]2)CCO1 ZINC000044552701 463682906 /nfs/dbraw/zinc/68/29/06/463682906.db2.gz ATKOATQCDBKNEJ-CQSZACIVSA-N 1 2 328.416 2.007 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000185144814 463762106 /nfs/dbraw/zinc/76/21/06/463762106.db2.gz BBQAJMKZWMWZEH-HNNXBMFYSA-N 1 2 339.480 2.258 20 30 EEEDLO Cn1c[nH+]cc1CC(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000185898429 463901711 /nfs/dbraw/zinc/90/17/11/463901711.db2.gz FBMRRBIIGCGVOB-ZDUSSCGKSA-N 1 2 333.189 2.106 20 30 EEEDLO CC(C)[C@H]1OCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000277507286 463919028 /nfs/dbraw/zinc/91/90/28/463919028.db2.gz TZGBBNIHRGBIIV-RBUKOAKNSA-N 1 2 341.455 2.264 20 30 EEEDLO COC[C@@H]([NH2+]CC#CCN[C@@H](COC)c1ccco1)c1ccco1 ZINC000283878972 464031321 /nfs/dbraw/zinc/03/13/21/464031321.db2.gz AOXXDGBYLLQSTQ-IYBDPMFKSA-N 1 2 332.400 2.130 20 30 EEEDLO COC[C@@H](NCC#CC[NH2+][C@@H](COC)c1ccco1)c1ccco1 ZINC000283878972 464031326 /nfs/dbraw/zinc/03/13/26/464031326.db2.gz AOXXDGBYLLQSTQ-IYBDPMFKSA-N 1 2 332.400 2.130 20 30 EEEDLO C[C@@H](C(=O)NCCSCc1ccccc1C#N)[NH+]1CCSCC1 ZINC000179151688 464068886 /nfs/dbraw/zinc/06/88/86/464068886.db2.gz NNUZECNTKDKWSI-AWEZNQCLSA-N 1 2 349.525 2.345 20 30 EEEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCc3scnc3C)cn2)n1 ZINC000289457746 464079994 /nfs/dbraw/zinc/07/99/94/464079994.db2.gz VOGNCZGEXNSRBG-UHFFFAOYSA-N 1 2 342.428 2.486 20 30 EEEDLO CC#CCCCC(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000187156363 464102417 /nfs/dbraw/zinc/10/24/17/464102417.db2.gz WWGWQRKFIYIHAB-UHFFFAOYSA-N 1 2 341.455 2.483 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000179817939 464192485 /nfs/dbraw/zinc/19/24/85/464192485.db2.gz WABSHFLUQZUNFO-IUODEOHRSA-N 1 2 333.436 2.242 20 30 EEEDLO CC(C)[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1nc(C2CC2)no1 ZINC000179819253 464193613 /nfs/dbraw/zinc/19/36/13/464193613.db2.gz XRXQMDFQDHFKTM-WMLDXEAASA-N 1 2 331.420 2.042 20 30 EEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000180019946 464226150 /nfs/dbraw/zinc/22/61/50/464226150.db2.gz VZFZTFNSHRZHRT-CQSZACIVSA-N 1 2 346.431 2.210 20 30 EEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000180019946 464226153 /nfs/dbraw/zinc/22/61/53/464226153.db2.gz VZFZTFNSHRZHRT-CQSZACIVSA-N 1 2 346.431 2.210 20 30 EEEDLO O=C(C#Cc1ccccc1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280661991 464226298 /nfs/dbraw/zinc/22/62/98/464226298.db2.gz LETKUTPIRNFDJF-RTWAWAEBSA-N 1 2 346.430 2.150 20 30 EEEDLO O=C(C#Cc1ccccc1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280661991 464226303 /nfs/dbraw/zinc/22/63/03/464226303.db2.gz LETKUTPIRNFDJF-RTWAWAEBSA-N 1 2 346.430 2.150 20 30 EEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000280708691 464237438 /nfs/dbraw/zinc/23/74/38/464237438.db2.gz BCEZTVKKBQRUHW-YJBOKZPZSA-N 1 2 329.448 2.238 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1cccc(F)c1 ZINC000173361770 464247726 /nfs/dbraw/zinc/24/77/26/464247726.db2.gz PBINTYDNOBMXFL-HNNXBMFYSA-N 1 2 333.407 2.004 20 30 EEEDLO C=CC[C@H](CC)NC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000280892355 464267085 /nfs/dbraw/zinc/26/70/85/464267085.db2.gz DBGVOSQRQWITBU-ZBFHGGJFSA-N 1 2 332.448 2.461 20 30 EEEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000173544868 464280299 /nfs/dbraw/zinc/28/02/99/464280299.db2.gz WNKBVMRYLQCUNR-UHFFFAOYSA-N 1 2 331.416 2.293 20 30 EEEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000173544868 464280303 /nfs/dbraw/zinc/28/03/03/464280303.db2.gz WNKBVMRYLQCUNR-UHFFFAOYSA-N 1 2 331.416 2.293 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000180451480 464313475 /nfs/dbraw/zinc/31/34/75/464313475.db2.gz OYZYJMHBMSZZTA-HNNXBMFYSA-N 1 2 332.448 2.462 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)N(CCC)CC(=O)Nc1ccccc1C ZINC000293076225 464386344 /nfs/dbraw/zinc/38/63/44/464386344.db2.gz JGUCWOLKTJSDCO-UHFFFAOYSA-N 1 2 329.444 2.127 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)N(CCC)CC(=O)Nc1ccccc1C ZINC000293076225 464386347 /nfs/dbraw/zinc/38/63/47/464386347.db2.gz JGUCWOLKTJSDCO-UHFFFAOYSA-N 1 2 329.444 2.127 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329895002 465465848 /nfs/dbraw/zinc/46/58/48/465465848.db2.gz BRFCAGBVMUHDJM-RVKKMQEKSA-N 1 2 335.448 2.438 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329895002 465465853 /nfs/dbraw/zinc/46/58/53/465465853.db2.gz BRFCAGBVMUHDJM-RVKKMQEKSA-N 1 2 335.448 2.438 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2)C1=O ZINC000281253853 464387858 /nfs/dbraw/zinc/38/78/58/464387858.db2.gz GZJLOAGFKCLGFY-WFASDCNBSA-N 1 2 335.835 2.386 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2)C1=O ZINC000281253853 464387862 /nfs/dbraw/zinc/38/78/62/464387862.db2.gz GZJLOAGFKCLGFY-WFASDCNBSA-N 1 2 335.835 2.386 20 30 EEEDLO CCN1CCN(CC(=O)Nc2nc(C)cs2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329909397 465471627 /nfs/dbraw/zinc/47/16/27/465471627.db2.gz MMNBZLBARIYVKU-LBPRGKRZSA-N 1 2 334.449 2.141 20 30 EEEDLO Cc1cc(NC(=O)NCc2cn3cc(C)ccc3[nH+]2)nn1CCC#N ZINC000272010248 464445813 /nfs/dbraw/zinc/44/58/13/464445813.db2.gz AREMWZWWQRCCSU-UHFFFAOYSA-N 1 2 337.387 2.383 20 30 EEEDLO Cc1cccc(NC(=O)C(=O)NCc2cn3c(cccc3C)[nH+]2)c1C#N ZINC000174855345 464458319 /nfs/dbraw/zinc/45/83/19/464458319.db2.gz MTOAQNARWBBNED-UHFFFAOYSA-N 1 2 347.378 2.078 20 30 EEEDLO Cc1ccc(C[C@@H](C)C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000181213897 464458572 /nfs/dbraw/zinc/45/85/72/464458572.db2.gz DMCOIQDSIXBTOY-GOSISDBHSA-N 1 2 343.471 2.248 20 30 EEEDLO CCOc1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc(Cl)c1O ZINC000545149806 468403133 /nfs/dbraw/zinc/40/31/33/468403133.db2.gz SERGUOQUOLQOCE-UHFFFAOYSA-N 1 2 337.807 2.162 20 30 EEEDLO COc1ccc(OC)c(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000265479333 464574463 /nfs/dbraw/zinc/57/44/63/464574463.db2.gz CFTVNYYXLADCQQ-UHFFFAOYSA-N 1 2 338.411 2.293 20 30 EEEDLO N#CCCN(CCCc1ccc2c(c1)CCO2)CC[NH+]1CCOCC1 ZINC000190041350 464590244 /nfs/dbraw/zinc/59/02/44/464590244.db2.gz OADIUKLVHWXULK-UHFFFAOYSA-N 1 2 343.471 2.102 20 30 EEEDLO N#Cc1ccc(N2CCC(Nc3cc(NC4CC4)[nH+]cn3)CC2)nc1 ZINC000591144077 468414781 /nfs/dbraw/zinc/41/47/81/468414781.db2.gz BHAQGAASPQQYID-UHFFFAOYSA-N 1 2 335.415 2.398 20 30 EEEDLO N#Cc1ccc(N2CCC(Nc3cc(NC4CC4)nc[nH+]3)CC2)nc1 ZINC000591144077 468414784 /nfs/dbraw/zinc/41/47/84/468414784.db2.gz BHAQGAASPQQYID-UHFFFAOYSA-N 1 2 335.415 2.398 20 30 EEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cccc(SCC#N)c1 ZINC000176042647 464687075 /nfs/dbraw/zinc/68/70/75/464687075.db2.gz ZAVLDQVXPLTMOF-UHFFFAOYSA-N 1 2 333.457 2.143 20 30 EEEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cccc(SCC#N)c1 ZINC000176042647 464687077 /nfs/dbraw/zinc/68/70/77/464687077.db2.gz ZAVLDQVXPLTMOF-UHFFFAOYSA-N 1 2 333.457 2.143 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000273483847 464718601 /nfs/dbraw/zinc/71/86/01/464718601.db2.gz GLAUSOVDVMDBCZ-KRWDZBQOSA-N 1 2 328.460 2.125 20 30 EEEDLO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)c1nccc(C#N)n1 ZINC000295140312 464719666 /nfs/dbraw/zinc/71/96/66/464719666.db2.gz ZJTMFPFXYZLHNL-JSGCOSHPSA-N 1 2 346.435 2.162 20 30 EEEDLO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)c1nccc(C#N)n1 ZINC000295140312 464719668 /nfs/dbraw/zinc/71/96/68/464719668.db2.gz ZJTMFPFXYZLHNL-JSGCOSHPSA-N 1 2 346.435 2.162 20 30 EEEDLO C=CCn1c(CC2CC2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000282183114 464725335 /nfs/dbraw/zinc/72/53/35/464725335.db2.gz FOJIUYZABGVIJM-UHFFFAOYSA-N 1 2 342.447 2.035 20 30 EEEDLO C#C[C@H](NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1)C(C)C ZINC000282381834 464796088 /nfs/dbraw/zinc/79/60/88/464796088.db2.gz XLEOAUFBRBVDFP-ROUUACIJSA-N 1 2 329.444 2.017 20 30 EEEDLO CO[C@@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])C(C)C ZINC000266714644 464796546 /nfs/dbraw/zinc/79/65/46/464796546.db2.gz KGAXQPCFAUSDHV-INIZCTEOSA-N 1 2 342.443 2.317 20 30 EEEDLO COc1cc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)ccc1C#N ZINC000282522655 464850694 /nfs/dbraw/zinc/85/06/94/464850694.db2.gz ZTIAUNNROCGQFL-QGZVFWFLSA-N 1 2 339.395 2.441 20 30 EEEDLO COc1cc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)ccc1C#N ZINC000282522655 464850702 /nfs/dbraw/zinc/85/07/02/464850702.db2.gz ZTIAUNNROCGQFL-QGZVFWFLSA-N 1 2 339.395 2.441 20 30 EEEDLO N#Cc1c(NC(=O)C[N@H+]2CC[C@@H](CO)C2)sc2c1CCCCC2 ZINC000266900023 464864824 /nfs/dbraw/zinc/86/48/24/464864824.db2.gz GELIGSJNHRQRGM-GFCCVEGCSA-N 1 2 333.457 2.141 20 30 EEEDLO N#Cc1c(NC(=O)C[N@@H+]2CC[C@@H](CO)C2)sc2c1CCCCC2 ZINC000266900023 464864828 /nfs/dbraw/zinc/86/48/28/464864828.db2.gz GELIGSJNHRQRGM-GFCCVEGCSA-N 1 2 333.457 2.141 20 30 EEEDLO Cc1ccc(NC(=O)CN2CCN(C)[C@@H](c3[nH+]ccn3C)C2)cc1F ZINC000329960322 465488511 /nfs/dbraw/zinc/48/85/11/465488511.db2.gz ROBFEVWKTPUOHB-MRXNPFEDSA-N 1 2 345.422 2.444 20 30 EEEDLO C[C@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000183837192 464917057 /nfs/dbraw/zinc/91/70/57/464917057.db2.gz ILIXAITZTZHCON-CQSZACIVSA-N 1 2 341.502 2.450 20 30 EEEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc([S@](C)=O)cc1 ZINC000267417236 464930076 /nfs/dbraw/zinc/93/00/76/464930076.db2.gz LOALBEGPXCFHBJ-DEOSSOPVSA-N 1 2 347.484 2.198 20 30 EEEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc([S@](C)=O)cc1 ZINC000267417236 464930082 /nfs/dbraw/zinc/93/00/82/464930082.db2.gz LOALBEGPXCFHBJ-DEOSSOPVSA-N 1 2 347.484 2.198 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000184059201 464942972 /nfs/dbraw/zinc/94/29/72/464942972.db2.gz GVYSUBCPJOMIKS-QZTJIDSGSA-N 1 2 346.471 2.173 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@H]1C[C@H]1c1ccccc1 ZINC000342547698 465328210 /nfs/dbraw/zinc/32/82/10/465328210.db2.gz KUBMPAZHVVLTOK-MOPGFXCFSA-N 1 2 341.455 2.255 20 30 EEEDLO O=C(Nc1cccc2c1OCO2)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000329474385 465345999 /nfs/dbraw/zinc/34/59/99/465345999.db2.gz SURKAFWQPWHTFI-CQSZACIVSA-N 1 2 347.415 2.148 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000348134734 465443876 /nfs/dbraw/zinc/44/38/76/465443876.db2.gz CFAAFVSZAXPKDE-GOSISDBHSA-N 1 2 341.455 2.314 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+](CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000348134734 465443884 /nfs/dbraw/zinc/44/38/84/465443884.db2.gz CFAAFVSZAXPKDE-GOSISDBHSA-N 1 2 341.455 2.314 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CN(CC(=O)Nc2ccccc2F)CCN1C ZINC000329914374 465472420 /nfs/dbraw/zinc/47/24/20/465472420.db2.gz PCIHCEQVLOIFRL-OAHLLOKOSA-N 1 2 331.395 2.136 20 30 EEEDLO O=C(NC[C@@H]1COc2ccccc2O1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329929168 465476297 /nfs/dbraw/zinc/47/62/97/465476297.db2.gz NFSNFNSVBVDRJN-CQSZACIVSA-N 1 2 342.399 2.343 20 30 EEEDLO O=C(NC[C@@H]1COc2ccccc2O1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329929168 465476301 /nfs/dbraw/zinc/47/63/01/465476301.db2.gz NFSNFNSVBVDRJN-CQSZACIVSA-N 1 2 342.399 2.343 20 30 EEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000329966789 465490932 /nfs/dbraw/zinc/49/09/32/465490932.db2.gz VVAGSIOVOCORNK-PMPSAXMXSA-N 1 2 333.480 2.244 20 30 EEEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000330029399 465511274 /nfs/dbraw/zinc/51/12/74/465511274.db2.gz PXFOTSJOESXENT-OIPACUDHSA-N 1 2 340.427 2.368 20 30 EEEDLO C[C@H](C#N)S(=O)(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000352413960 465526608 /nfs/dbraw/zinc/52/66/08/465526608.db2.gz RRLXZNQEMHYMPX-CYBMUJFWSA-N 1 2 341.864 2.090 20 30 EEEDLO C[C@H](C#N)S(=O)(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000352413960 465526612 /nfs/dbraw/zinc/52/66/12/465526612.db2.gz RRLXZNQEMHYMPX-CYBMUJFWSA-N 1 2 341.864 2.090 20 30 EEEDLO C=CC[N@@H+](Cc1nnc(CC)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343566658 465528560 /nfs/dbraw/zinc/52/85/60/465528560.db2.gz KFLNMOKVGUZRHZ-ZDUSSCGKSA-N 1 2 339.403 2.357 20 30 EEEDLO C=CC[N@H+](Cc1nnc(CC)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343566658 465528566 /nfs/dbraw/zinc/52/85/66/465528566.db2.gz KFLNMOKVGUZRHZ-ZDUSSCGKSA-N 1 2 339.403 2.357 20 30 EEEDLO C=CCc1cc(CNC(=O)CCc2[nH]cc[nH+]2)cc(OC)c1OC ZINC000352788799 465556157 /nfs/dbraw/zinc/55/61/57/465556157.db2.gz LPLIBMQVQHBGIL-UHFFFAOYSA-N 1 2 329.400 2.404 20 30 EEEDLO CCO[C@@H]1C[C@H]([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)C12CCCC2 ZINC000330190938 465563020 /nfs/dbraw/zinc/56/30/20/465563020.db2.gz MTHKEUHYRQZAHR-QLFBSQMISA-N 1 2 332.448 2.439 20 30 EEEDLO CCO[C@@H]1C[C@H](NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C12CCCC2 ZINC000330190938 465563025 /nfs/dbraw/zinc/56/30/25/465563025.db2.gz MTHKEUHYRQZAHR-QLFBSQMISA-N 1 2 332.448 2.439 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)NC(=O)NCC(C)C)Cc1cnn(C(C)C)c1 ZINC000352921277 465568909 /nfs/dbraw/zinc/56/89/09/465568909.db2.gz HTJQUDJKNFFBIY-UHFFFAOYSA-N 1 2 349.479 2.324 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)NC(=O)NCC(C)C)Cc1cnn(C(C)C)c1 ZINC000352921277 465568914 /nfs/dbraw/zinc/56/89/14/465568914.db2.gz HTJQUDJKNFFBIY-UHFFFAOYSA-N 1 2 349.479 2.324 20 30 EEEDLO CC[C@@H]1COCCN1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000330295527 465603005 /nfs/dbraw/zinc/60/30/05/465603005.db2.gz FSNUCNFNPULLDB-CQSZACIVSA-N 1 2 338.477 2.438 20 30 EEEDLO CCN1CCN(C(=O)NCC2CCSCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330320432 465612300 /nfs/dbraw/zinc/61/23/00/465612300.db2.gz FCEIYSDIRVHEQD-AWEZNQCLSA-N 1 2 337.493 2.146 20 30 EEEDLO CC[C@H](NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1)C1CCOCC1 ZINC000330336175 465618267 /nfs/dbraw/zinc/61/82/67/465618267.db2.gz SFHMOPMYRSQILO-JKSUJKDBSA-N 1 2 349.479 2.208 20 30 EEEDLO Cc1ccc2nc(NC(=O)CN3C[C@@H]4[C@H](C3)OCC[N@H+]4C)sc2c1 ZINC000330343215 465622503 /nfs/dbraw/zinc/62/25/03/465622503.db2.gz BSFQEZFFRGSWGJ-KGLIPLIRSA-N 1 2 346.456 2.208 20 30 EEEDLO Cc1ccc2nc(NC(=O)CN3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)sc2c1 ZINC000330343215 465622512 /nfs/dbraw/zinc/62/25/12/465622512.db2.gz BSFQEZFFRGSWGJ-KGLIPLIRSA-N 1 2 346.456 2.208 20 30 EEEDLO Cc1cc(NC(=O)C2CC[NH+](Cc3cccc(F)c3C#N)CC2)no1 ZINC000362275422 465624029 /nfs/dbraw/zinc/62/40/29/465624029.db2.gz CYQOWZJQZFUVHH-UHFFFAOYSA-N 1 2 342.374 2.845 20 30 EEEDLO C=CCOC[C@H]1NC(=O)N(CCC[N@@H+](CC)c2ccccc2)C1=O ZINC000348502277 465637974 /nfs/dbraw/zinc/63/79/74/465637974.db2.gz RXFHXVSLUFDLEW-MRXNPFEDSA-N 1 2 331.416 2.026 20 30 EEEDLO C=CCOC[C@H]1NC(=O)N(CCC[N@H+](CC)c2ccccc2)C1=O ZINC000348502277 465637979 /nfs/dbraw/zinc/63/79/79/465637979.db2.gz RXFHXVSLUFDLEW-MRXNPFEDSA-N 1 2 331.416 2.026 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000299249535 465663827 /nfs/dbraw/zinc/66/38/27/465663827.db2.gz AVRMZNLPZGVBQO-SFHVURJKSA-N 1 2 346.862 2.270 20 30 EEEDLO N#Cc1ccc(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000299544655 465793342 /nfs/dbraw/zinc/79/33/42/465793342.db2.gz PKSKYVGSWXHJRT-HXUWFJFHSA-N 1 2 349.434 2.118 20 30 EEEDLO N#Cc1ccc(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000299544655 465793357 /nfs/dbraw/zinc/79/33/57/465793357.db2.gz PKSKYVGSWXHJRT-HXUWFJFHSA-N 1 2 349.434 2.118 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000345392962 465863221 /nfs/dbraw/zinc/86/32/21/465863221.db2.gz AEVYQOCFUBBSPE-MJGOQNOKSA-N 1 2 346.471 2.466 20 30 EEEDLO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCOC(C)(C)[C@@H]2C)c1C ZINC000331045553 465911358 /nfs/dbraw/zinc/91/13/58/465911358.db2.gz HRDPKWFOUGZDOM-AWEZNQCLSA-N 1 2 333.432 2.464 20 30 EEEDLO Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCOC(C)(C)[C@@H]2C)c1C ZINC000331045553 465911366 /nfs/dbraw/zinc/91/13/66/465911366.db2.gz HRDPKWFOUGZDOM-AWEZNQCLSA-N 1 2 333.432 2.464 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)nn1-c1cccc(C#N)c1 ZINC000357290413 465916337 /nfs/dbraw/zinc/91/63/37/465916337.db2.gz NKRDEQBGUVCNFV-CQSZACIVSA-N 1 2 348.410 2.315 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2Cc2cccc(C#N)c2F)O1 ZINC000338375429 466072396 /nfs/dbraw/zinc/07/23/96/466072396.db2.gz GCRMOKJCVNYKFM-MWNCTCPHSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2Cc2cccc(C#N)c2F)O1 ZINC000338375429 466072402 /nfs/dbraw/zinc/07/24/02/466072402.db2.gz GCRMOKJCVNYKFM-MWNCTCPHSA-N 1 2 332.375 2.381 20 30 EEEDLO C=CCCS(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000371977404 466099391 /nfs/dbraw/zinc/09/93/91/466099391.db2.gz DDCZJQCNVGFGHW-OAHLLOKOSA-N 1 2 335.429 2.014 20 30 EEEDLO N#CCCCCS(=O)(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000340832248 466370448 /nfs/dbraw/zinc/37/04/48/466370448.db2.gz UBLIQRGZVNSUKY-UHFFFAOYSA-N 1 2 338.477 2.399 20 30 EEEDLO N#CC1(NC(=O)C[NH+]2CCC(Oc3cncc(Cl)c3)CC2)CCC1 ZINC000581202145 468489406 /nfs/dbraw/zinc/48/94/06/468489406.db2.gz RCORAOCJDIXLCL-UHFFFAOYSA-N 1 2 348.834 2.141 20 30 EEEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000361995538 466470095 /nfs/dbraw/zinc/47/00/95/466470095.db2.gz HDECOAKYOLUPAF-CYBMUJFWSA-N 1 2 349.431 2.115 20 30 EEEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000361995538 466470102 /nfs/dbraw/zinc/47/01/02/466470102.db2.gz HDECOAKYOLUPAF-CYBMUJFWSA-N 1 2 349.431 2.115 20 30 EEEDLO Cc1nc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c(C)s1 ZINC000332435006 466541443 /nfs/dbraw/zinc/54/14/43/466541443.db2.gz XXDUAJYJKHUGPO-LLVKDONJSA-N 1 2 328.445 2.132 20 30 EEEDLO Cc1nc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c(C)s1 ZINC000332435006 466541448 /nfs/dbraw/zinc/54/14/48/466541448.db2.gz XXDUAJYJKHUGPO-LLVKDONJSA-N 1 2 328.445 2.132 20 30 EEEDLO C=CC[C@H](C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000354416322 466551824 /nfs/dbraw/zinc/55/18/24/466551824.db2.gz CYFUQKAIVNJHFU-BBRMVZONSA-N 1 2 332.448 2.098 20 30 EEEDLO C=CC[C@H](C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000354416322 466551830 /nfs/dbraw/zinc/55/18/30/466551830.db2.gz CYFUQKAIVNJHFU-BBRMVZONSA-N 1 2 332.448 2.098 20 30 EEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)nn1 ZINC000424289690 467021828 /nfs/dbraw/zinc/02/18/28/467021828.db2.gz ABDFEBNLIRXVBO-AWEZNQCLSA-N 1 2 325.416 2.442 20 30 EEEDLO C=CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1)c1ccccc1 ZINC000412363135 467074410 /nfs/dbraw/zinc/07/44/10/467074410.db2.gz JLECGNDXPHAQAV-WMZOPIPTSA-N 1 2 344.455 2.348 20 30 EEEDLO C=CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1)c1ccccc1 ZINC000412363135 467074414 /nfs/dbraw/zinc/07/44/14/467074414.db2.gz JLECGNDXPHAQAV-WMZOPIPTSA-N 1 2 344.455 2.348 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000424969501 467084531 /nfs/dbraw/zinc/08/45/31/467084531.db2.gz BLPJHRVYKLOABU-HLLBOEOZSA-N 1 2 344.434 2.145 20 30 EEEDLO Cc1cc(NC[C@@H](c2cccc(F)c2)N2CCOCC2)c(C#N)c[nH+]1 ZINC000425216298 467088506 /nfs/dbraw/zinc/08/85/06/467088506.db2.gz QHQKHQFJDZOQQW-IBGZPJMESA-N 1 2 340.402 2.308 20 30 EEEDLO N#Cc1ccc(CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)cc1F ZINC000450903505 467202157 /nfs/dbraw/zinc/20/21/57/467202157.db2.gz CZWKTXNCWVYEHX-HNNXBMFYSA-N 1 2 341.390 2.451 20 30 EEEDLO N#Cc1ccc(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)cc1F ZINC000450903505 467202163 /nfs/dbraw/zinc/20/21/63/467202163.db2.gz CZWKTXNCWVYEHX-HNNXBMFYSA-N 1 2 341.390 2.451 20 30 EEEDLO N#Cc1cccc([C@H]2CN(C(=O)Cc3cn4ccccc4[nH+]3)CCO2)c1 ZINC000378297131 467255684 /nfs/dbraw/zinc/25/56/84/467255684.db2.gz DIJSTESHTNAAEO-GOSISDBHSA-N 1 2 346.390 2.349 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451695609 467265785 /nfs/dbraw/zinc/26/57/85/467265785.db2.gz DYGZZLZWHBEZSR-DDBAPUKQSA-N 1 2 328.412 2.255 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451695609 467265787 /nfs/dbraw/zinc/26/57/87/467265787.db2.gz DYGZZLZWHBEZSR-DDBAPUKQSA-N 1 2 328.412 2.255 20 30 EEEDLO C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CS1 ZINC000413723270 467300214 /nfs/dbraw/zinc/30/02/14/467300214.db2.gz QBSSFAXEZZZXRR-YOEHRIQHSA-N 1 2 344.484 2.279 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000429120672 467302712 /nfs/dbraw/zinc/30/27/12/467302712.db2.gz BNUMPZWLKQBOBS-LBPRGKRZSA-N 1 2 325.815 2.292 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000429120672 467302715 /nfs/dbraw/zinc/30/27/15/467302715.db2.gz BNUMPZWLKQBOBS-LBPRGKRZSA-N 1 2 325.815 2.292 20 30 EEEDLO N#C[C@H](CCc1ccccc1)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000433224405 467309717 /nfs/dbraw/zinc/30/97/17/467309717.db2.gz ZCPZDPZUDACHNF-IBGZPJMESA-N 1 2 348.450 2.498 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429232333 467314255 /nfs/dbraw/zinc/31/42/55/467314255.db2.gz JOOJNMXJIDCUAG-LSDHHAIUSA-N 1 2 344.434 2.287 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429232333 467314259 /nfs/dbraw/zinc/31/42/59/467314259.db2.gz JOOJNMXJIDCUAG-LSDHHAIUSA-N 1 2 344.434 2.287 20 30 EEEDLO COc1cc(OC)cc(N2CC[C@H]([N@H+](C)CC(C)(C)C#N)C2=O)c1 ZINC000433314216 467317256 /nfs/dbraw/zinc/31/72/56/467317256.db2.gz UMXKECZOBCWDGG-INIZCTEOSA-N 1 2 331.416 2.291 20 30 EEEDLO COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)CC(C)(C)C#N)C2=O)c1 ZINC000433314216 467317259 /nfs/dbraw/zinc/31/72/59/467317259.db2.gz UMXKECZOBCWDGG-INIZCTEOSA-N 1 2 331.416 2.291 20 30 EEEDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000429363382 467329192 /nfs/dbraw/zinc/32/91/92/467329192.db2.gz CRNVEWYGGJFCHJ-LBPRGKRZSA-N 1 2 344.383 2.026 20 30 EEEDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000429363382 467329197 /nfs/dbraw/zinc/32/91/97/467329197.db2.gz CRNVEWYGGJFCHJ-LBPRGKRZSA-N 1 2 344.383 2.026 20 30 EEEDLO COc1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)c2nc(C)ccc12 ZINC000414131586 467381182 /nfs/dbraw/zinc/38/11/82/467381182.db2.gz ZMXWXPMETFBBML-AWEZNQCLSA-N 1 2 329.400 2.137 20 30 EEEDLO COc1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c2nc(C)ccc12 ZINC000414131586 467381186 /nfs/dbraw/zinc/38/11/86/467381186.db2.gz ZMXWXPMETFBBML-AWEZNQCLSA-N 1 2 329.400 2.137 20 30 EEEDLO C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000407972518 467487719 /nfs/dbraw/zinc/48/77/19/467487719.db2.gz MELAILUUMDWTOW-IRXDYDNUSA-N 1 2 340.471 2.470 20 30 EEEDLO C=CC[C@@H]1N(S(=O)(=O)CCC[NH+]2CCOCC2)CCCC1(C)C ZINC000443966929 467581604 /nfs/dbraw/zinc/58/16/04/467581604.db2.gz ONKNLWQYLBEOSP-INIZCTEOSA-N 1 2 344.521 2.105 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000527297622 467657849 /nfs/dbraw/zinc/65/78/49/467657849.db2.gz YKBBOLIHCAUXMW-YJBOKZPZSA-N 1 2 327.428 2.185 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000527297622 467657853 /nfs/dbraw/zinc/65/78/53/467657853.db2.gz YKBBOLIHCAUXMW-YJBOKZPZSA-N 1 2 327.428 2.185 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc(C#N)cc2)CCO1 ZINC000492666132 467706991 /nfs/dbraw/zinc/70/69/91/467706991.db2.gz FWYATTWYFBTJHJ-KINGKOSLSA-N 1 2 336.395 2.341 20 30 EEEDLO COCc1ccc(NC(=O)NCc2ccc[nH+]c2N(C)C)cc1C#N ZINC000529208791 467828568 /nfs/dbraw/zinc/82/85/68/467828568.db2.gz DFQUJOXZIGSCAR-UHFFFAOYSA-N 1 2 339.399 2.487 20 30 EEEDLO C[C@@H](SCC(=O)N[C@](C)(C#N)C[NH+](C)C)c1nc2ccccc2[nH]1 ZINC000514604383 467943007 /nfs/dbraw/zinc/94/30/07/467943007.db2.gz DVLHHJYSRLQDGM-SJKOYZFVSA-N 1 2 345.472 2.317 20 30 EEEDLO Cc1csc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1C#N ZINC000515667580 468000865 /nfs/dbraw/zinc/00/08/65/468000865.db2.gz NPKNIMKDVVNQKO-STQMWFEESA-N 1 2 334.445 2.255 20 30 EEEDLO C[NH+]1CCC(C#N)(NC(=O)CCC(=O)c2ccc(F)cc2F)CC1 ZINC000517623119 468090893 /nfs/dbraw/zinc/09/08/93/468090893.db2.gz QGNVRJXTRHWYDA-UHFFFAOYSA-N 1 2 335.354 2.032 20 30 EEEDLO N#CCCC1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000518368079 468113420 /nfs/dbraw/zinc/11/34/20/468113420.db2.gz QCQHWRSKHCMQIF-UHFFFAOYSA-N 1 2 329.448 2.487 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000488996078 468115890 /nfs/dbraw/zinc/11/58/90/468115890.db2.gz WPUCMQPFTWMOEN-OAHLLOKOSA-N 1 2 335.423 2.489 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000488996078 468115892 /nfs/dbraw/zinc/11/58/92/468115892.db2.gz WPUCMQPFTWMOEN-OAHLLOKOSA-N 1 2 335.423 2.489 20 30 EEEDLO COc1ccc(Br)cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000565658529 468135672 /nfs/dbraw/zinc/13/56/72/468135672.db2.gz AAOQJZYRCOYCNJ-AWEZNQCLSA-N 1 2 340.221 2.031 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ccccc1OC(F)(F)F ZINC000575991873 468158046 /nfs/dbraw/zinc/15/80/46/468158046.db2.gz GTKCQZUURBWCRU-HNNXBMFYSA-N 1 2 343.349 2.478 20 30 EEEDLO Cc1cc(C#N)cnc1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000549607758 468190354 /nfs/dbraw/zinc/19/03/54/468190354.db2.gz NQJCOHKPACYLKF-UHFFFAOYSA-N 1 2 349.438 2.261 20 30 EEEDLO C#CC[N@@H+](Cn1nc(C)n(CC(=O)N(C)C)c1=S)C1CCCCC1 ZINC000490575774 468221206 /nfs/dbraw/zinc/22/12/06/468221206.db2.gz WDVMNOBDACQHIL-UHFFFAOYSA-N 1 2 349.504 2.036 20 30 EEEDLO C#CC[N@H+](Cn1nc(C)n(CC(=O)N(C)C)c1=S)C1CCCCC1 ZINC000490575774 468221209 /nfs/dbraw/zinc/22/12/09/468221209.db2.gz WDVMNOBDACQHIL-UHFFFAOYSA-N 1 2 349.504 2.036 20 30 EEEDLO Cc1cccc2[nH+]c(CN3CCN(c4cnccc4C#N)CC3)cn21 ZINC000582821937 468600083 /nfs/dbraw/zinc/60/00/83/468600083.db2.gz PADWYWKPEUUVDV-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000592149861 468640139 /nfs/dbraw/zinc/64/01/39/468640139.db2.gz YINFXKXEHSFMLF-VQTJNVASSA-N 1 2 341.455 2.385 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000592149861 468640144 /nfs/dbraw/zinc/64/01/44/468640144.db2.gz YINFXKXEHSFMLF-VQTJNVASSA-N 1 2 341.455 2.385 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)C(C)(C)CO ZINC000597848125 468692828 /nfs/dbraw/zinc/69/28/28/468692828.db2.gz UGXUPEOLJURFSY-CQSZACIVSA-N 1 2 346.818 2.435 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)cc1 ZINC000600946982 468692921 /nfs/dbraw/zinc/69/29/21/468692921.db2.gz ZFAHSJGLCANWKA-QUCCMNQESA-N 1 2 339.439 2.162 20 30 EEEDLO CC[C@@H](C(=O)NCCc1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000597891390 468704977 /nfs/dbraw/zinc/70/49/77/468704977.db2.gz ZYZOQFRJPCZTAR-ROUUACIJSA-N 1 2 329.444 2.106 20 30 EEEDLO CC[C@@H](C(=O)NCCc1ccc(C#N)cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC000597891390 468704982 /nfs/dbraw/zinc/70/49/82/468704982.db2.gz ZYZOQFRJPCZTAR-ROUUACIJSA-N 1 2 329.444 2.106 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)s1 ZINC000595391952 468836637 /nfs/dbraw/zinc/83/66/37/468836637.db2.gz CPSHYNOASJUTMF-CQSZACIVSA-N 1 2 347.465 2.173 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)s1 ZINC000595391952 468836639 /nfs/dbraw/zinc/83/66/39/468836639.db2.gz CPSHYNOASJUTMF-CQSZACIVSA-N 1 2 347.465 2.173 20 30 EEEDLO CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1[nH]cc[nH+]1 ZINC000595401687 468840297 /nfs/dbraw/zinc/84/02/97/468840297.db2.gz METUDJVUTGKBQL-UHFFFAOYSA-N 1 2 331.807 2.442 20 30 EEEDLO COc1cc2nc(C[N@@H+]3CCC[C@H](CC#N)C3)[nH]c(=O)c2cc1OC ZINC000595613271 468922659 /nfs/dbraw/zinc/92/26/59/468922659.db2.gz BUORLCCROSMWQG-GFCCVEGCSA-N 1 2 342.399 2.478 20 30 EEEDLO COc1cc2nc(C[N@H+]3CCC[C@H](CC#N)C3)[nH]c(=O)c2cc1OC ZINC000595613271 468922662 /nfs/dbraw/zinc/92/26/62/468922662.db2.gz BUORLCCROSMWQG-GFCCVEGCSA-N 1 2 342.399 2.478 20 30 EEEDLO CC(C)N(C(=O)C[NH+]1CCN(c2ccsc2C#N)CC1)C(C)C ZINC000595632771 468932056 /nfs/dbraw/zinc/93/20/56/468932056.db2.gz HPPXNCQHRKPXRX-UHFFFAOYSA-N 1 2 334.489 2.387 20 30 EEEDLO C=CCCSCCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000595722515 468970324 /nfs/dbraw/zinc/97/03/24/468970324.db2.gz APSDRQAAUXBVNR-UHFFFAOYSA-N 1 2 334.489 2.218 20 30 EEEDLO C[C@@H](CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000610473537 468977042 /nfs/dbraw/zinc/97/70/42/468977042.db2.gz AKMOFHZFVYAKCW-YJBOKZPZSA-N 1 2 337.427 2.176 20 30 EEEDLO CC[C@@H](C#N)C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000593449353 468984623 /nfs/dbraw/zinc/98/46/23/468984623.db2.gz AQYMIENGNIWOCZ-AEFFLSMTSA-N 1 2 329.444 2.286 20 30 EEEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000614924899 469096458 /nfs/dbraw/zinc/09/64/58/469096458.db2.gz OVTHMLQMFGDFOZ-KGLIPLIRSA-N 1 2 335.370 2.084 20 30 EEEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000614924899 469096462 /nfs/dbraw/zinc/09/64/62/469096462.db2.gz OVTHMLQMFGDFOZ-KGLIPLIRSA-N 1 2 335.370 2.084 20 30 EEEDLO Cn1ncc(C#N)c1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000596064338 469135832 /nfs/dbraw/zinc/13/58/32/469135832.db2.gz GGGJDQIRYUIATR-UHFFFAOYSA-N 1 2 345.834 2.146 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611175118 469181500 /nfs/dbraw/zinc/18/15/00/469181500.db2.gz UFXYMHHNWAJREU-INIZCTEOSA-N 1 2 346.500 2.182 20 30 EEEDLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 ZINC000589123869 469198389 /nfs/dbraw/zinc/19/83/89/469198389.db2.gz NUIXKUOCRAHAAE-UHFFFAOYSA-N 1 2 347.484 2.136 20 30 EEEDLO Cc1sc(NC(=O)C[N@@H+]2CCCO[C@H](CF)C2)c(C#N)c1C ZINC000563236223 469209296 /nfs/dbraw/zinc/20/92/96/469209296.db2.gz IAUNOOFGSNECKW-GFCCVEGCSA-N 1 2 325.409 2.236 20 30 EEEDLO Cc1sc(NC(=O)C[N@H+]2CCCO[C@H](CF)C2)c(C#N)c1C ZINC000563236223 469209301 /nfs/dbraw/zinc/20/93/01/469209301.db2.gz IAUNOOFGSNECKW-GFCCVEGCSA-N 1 2 325.409 2.236 20 30 EEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000563366582 469237674 /nfs/dbraw/zinc/23/76/74/469237674.db2.gz JFVKHDDALRXMIU-WCQYABFASA-N 1 2 332.404 2.262 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000564660779 469256025 /nfs/dbraw/zinc/25/60/25/469256025.db2.gz MDOAKRLBYRQQOD-AWEZNQCLSA-N 1 2 340.214 2.215 20 30 EEEDLO C[NH+](C)[C@@H](CNC(=O)N1CC[C@](F)(C#N)C1)c1c(F)cccc1F ZINC000615547187 469262750 /nfs/dbraw/zinc/26/27/50/469262750.db2.gz XMQSYVIMTDREAR-BBRMVZONSA-N 1 2 340.349 2.215 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000615550651 469264897 /nfs/dbraw/zinc/26/48/97/469264897.db2.gz JPNGBVXBPTZDNG-QGZVFWFLSA-N 1 2 330.428 2.188 20 30 EEEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000611553062 469277446 /nfs/dbraw/zinc/27/74/46/469277446.db2.gz PURMDDLPCGELGM-SFHVURJKSA-N 1 2 344.434 2.067 20 30 EEEDLO COC1CC[NH+](Cc2cn(Cc3ccc(C#N)c(C)c3)nn2)CC1 ZINC000603237077 469319138 /nfs/dbraw/zinc/31/91/38/469319138.db2.gz NAIVIUKUCRMMRK-UHFFFAOYSA-N 1 2 325.416 2.117 20 30 EEEDLO COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131321 469893227 /nfs/dbraw/zinc/89/32/27/469893227.db2.gz MXTAEZRYHKVWJA-OAHLLOKOSA-N 1 2 340.383 2.006 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000609484956 469931615 /nfs/dbraw/zinc/93/16/15/469931615.db2.gz SRGZGBMEEOILSJ-QGZVFWFLSA-N 1 2 348.878 2.122 20 30 EEEDLO C[C@@H](CC#N)[NH2+]CCS(=O)(=O)c1ccc(Br)cc1 ZINC000609545521 469938627 /nfs/dbraw/zinc/93/86/27/469938627.db2.gz SDEVHWVZAKWBKN-JTQLQIEISA-N 1 2 331.235 2.115 20 30 EEEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCc4ccc(O)cc4C3)C2=O)cc1 ZINC000610002665 469974217 /nfs/dbraw/zinc/97/42/17/469974217.db2.gz VUWMRLDOSDOAFD-IBGZPJMESA-N 1 2 333.391 2.427 20 30 EEEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCc4ccc(O)cc4C3)C2=O)cc1 ZINC000610002665 469974220 /nfs/dbraw/zinc/97/42/20/469974220.db2.gz VUWMRLDOSDOAFD-IBGZPJMESA-N 1 2 333.391 2.427 20 30 EEEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000621279481 470023391 /nfs/dbraw/zinc/02/33/91/470023391.db2.gz VHUHHDLEFHUNHZ-ZIAGYGMSSA-N 1 2 336.457 2.322 20 30 EEEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000621279481 470023394 /nfs/dbraw/zinc/02/33/94/470023394.db2.gz VHUHHDLEFHUNHZ-ZIAGYGMSSA-N 1 2 336.457 2.322 20 30 EEEDLO Cc1cc(C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c(C)n1-c1nccs1 ZINC000646031270 470499346 /nfs/dbraw/zinc/49/93/46/470499346.db2.gz ZKRQOUFWGAOBPM-KRWDZBQOSA-N 1 2 344.440 2.084 20 30 EEEDLO Cc1cc(C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c(C)n1-c1nccs1 ZINC000646031270 470499350 /nfs/dbraw/zinc/49/93/50/470499350.db2.gz ZKRQOUFWGAOBPM-KRWDZBQOSA-N 1 2 344.440 2.084 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2nnc(-c3ccccc3Cl)o2)nn1 ZINC000640793904 471031338 /nfs/dbraw/zinc/03/13/38/471031338.db2.gz FQUQYRWSCRBGRU-UHFFFAOYSA-N 1 2 342.790 2.143 20 30 EEEDLO C=CC[N@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)[C@H](C)COC ZINC000661241801 471685511 /nfs/dbraw/zinc/68/55/11/471685511.db2.gz BKMOUEGEYNGPOQ-GFCCVEGCSA-N 1 2 347.415 2.376 20 30 EEEDLO C=CC[N@@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)[C@H](C)COC ZINC000661241801 471685515 /nfs/dbraw/zinc/68/55/15/471685515.db2.gz BKMOUEGEYNGPOQ-GFCCVEGCSA-N 1 2 347.415 2.376 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ccccc2Cl)nn1 ZINC000640882132 485482377 /nfs/dbraw/zinc/48/23/77/485482377.db2.gz WPABGDBKXHUHRR-LBPRGKRZSA-N 1 2 331.807 2.244 20 30 EEEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3ccsc3C#N)CC2)C1 ZINC000595634002 485607351 /nfs/dbraw/zinc/60/73/51/485607351.db2.gz SFNDWWUYDWGWKI-HUUCEWRRSA-N 1 2 346.500 2.246 20 30 EEEDLO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000680106484 485891361 /nfs/dbraw/zinc/89/13/61/485891361.db2.gz ZFXIRVCPVWJYPL-VQIMIIECSA-N 1 2 346.427 2.263 20 30 EEEDLO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000680106484 485891368 /nfs/dbraw/zinc/89/13/68/485891368.db2.gz ZFXIRVCPVWJYPL-VQIMIIECSA-N 1 2 346.427 2.263 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000684792746 485998439 /nfs/dbraw/zinc/99/84/39/485998439.db2.gz YCFBZKQCFBQSHP-NVXWUHKLSA-N 1 2 342.443 2.466 20 30 EEEDLO C=CCCOCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447814271 534779639 /nfs/dbraw/zinc/77/96/39/534779639.db2.gz XHEUESJTGZTBQE-UHFFFAOYSA-N 1 2 335.404 2.432 20 30 EEEDLO C=CCc1cc(C[N@@H+](C)[C@H](C)CS(=O)(=O)CC)cc(OC)c1O ZINC000093416960 527235346 /nfs/dbraw/zinc/23/53/46/527235346.db2.gz NSFNPCNHNGXAFM-CYBMUJFWSA-N 1 2 341.473 2.384 20 30 EEEDLO C=CCc1cc(C[N@H+](C)[C@H](C)CS(=O)(=O)CC)cc(OC)c1O ZINC000093416960 527235355 /nfs/dbraw/zinc/23/53/55/527235355.db2.gz NSFNPCNHNGXAFM-CYBMUJFWSA-N 1 2 341.473 2.384 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000292044543 527613789 /nfs/dbraw/zinc/61/37/89/527613789.db2.gz AJXZZUHLBPEAFX-HZPDHXFCSA-N 1 2 335.492 2.154 20 30 EEEDLO CC(C)[N@H+](CC(N)=O)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000112571565 528869981 /nfs/dbraw/zinc/86/99/81/528869981.db2.gz GKRKDWZBSVLXNG-ZDUSSCGKSA-N 1 2 348.472 2.073 20 30 EEEDLO CC(C)[N@@H+](CC(N)=O)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000112571565 528869990 /nfs/dbraw/zinc/86/99/90/528869990.db2.gz GKRKDWZBSVLXNG-ZDUSSCGKSA-N 1 2 348.472 2.073 20 30 EEEDLO CN1CC[C@@H]([N@H+](C)CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C1=O ZINC000738333202 578009940 /nfs/dbraw/zinc/00/99/40/578009940.db2.gz SDOQCUWSLNZSEI-YPOUMIDOSA-N 1 2 341.455 2.030 20 30 EEEDLO CN1CC[C@@H]([N@@H+](C)CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C1=O ZINC000738333202 578009941 /nfs/dbraw/zinc/00/99/41/578009941.db2.gz SDOQCUWSLNZSEI-YPOUMIDOSA-N 1 2 341.455 2.030 20 30 EEEDLO C=C(Br)CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000729262540 576624356 /nfs/dbraw/zinc/62/43/56/576624356.db2.gz PDVLBCBZFGRIAY-UHFFFAOYSA-N 1 2 339.233 2.157 20 30 EEEDLO CCN(CC)C(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000731211427 577086592 /nfs/dbraw/zinc/08/65/92/577086592.db2.gz JOECJFURSWYLNU-UHFFFAOYSA-N 1 2 330.432 2.168 20 30 EEEDLO C#CCCOc1ccc(C[NH2+]Cc2nnnn2-c2ccccc2)cc1 ZINC000733326094 577222681 /nfs/dbraw/zinc/22/26/81/577222681.db2.gz IXGTXKBUFIPLTL-UHFFFAOYSA-N 1 2 333.395 2.354 20 30 EEEDLO CC1(OCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000773257712 577327486 /nfs/dbraw/zinc/32/74/86/577327486.db2.gz PQWDDEPRYAWDPT-UHFFFAOYSA-N 1 2 327.428 2.162 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC(O)(C(C)C)C2)cc1 ZINC000773891253 577371747 /nfs/dbraw/zinc/37/17/47/577371747.db2.gz RWXZVJMQDJLXNO-INIZCTEOSA-N 1 2 329.444 2.333 20 30 EEEDLO C#C[C@@H]([NH2+]Cc1nc(-c2cc(F)c(F)c(F)c2)no1)[C@H]1CCCO1 ZINC000775801863 577446306 /nfs/dbraw/zinc/44/63/06/577446306.db2.gz ZNSSCNJQRZIUIK-CHWSQXEVSA-N 1 2 337.301 2.424 20 30 EEEDLO Cc1cccc2c1[C@@H](C)CC2=NNC(=S)NCC[NH+]1CCOCC1 ZINC000766683601 577523259 /nfs/dbraw/zinc/52/32/59/577523259.db2.gz YULYQLKTVQPULM-AWEZNQCLSA-N 1 2 346.500 2.003 20 30 EEEDLO FC(F)(F)CN1CCC(N=Nc2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000761838873 577689910 /nfs/dbraw/zinc/68/99/10/577689910.db2.gz NJRGBZYBTBAIFI-UHFFFAOYSA-N 1 2 339.325 2.088 20 30 EEEDLO NC(=[NH+]OC[C@H]1CC2(CC2)C(=O)O1)c1ccc(Br)cc1 ZINC000762210166 577697211 /nfs/dbraw/zinc/69/72/11/577697211.db2.gz BQCONZMSVIDTHG-LLVKDONJSA-N 1 2 339.189 2.182 20 30 EEEDLO Cc1cc(=O)nc(NN=CC2(C[NH+]3CCOCC3)CCCCC2)[nH]1 ZINC000751127564 577748399 /nfs/dbraw/zinc/74/83/99/577748399.db2.gz OPQPGCDIGTVDHT-UHFFFAOYSA-N 1 2 333.436 2.171 20 30 EEEDLO Cc1cc(=O)[nH]c(N=NCC2(C[NH+]3CCOCC3)CCCCC2)n1 ZINC000751127564 577748400 /nfs/dbraw/zinc/74/84/00/577748400.db2.gz OPQPGCDIGTVDHT-UHFFFAOYSA-N 1 2 333.436 2.171 20 30 EEEDLO C[C@H]1C[N@H+](Cc2ccccc2)CC1=NNS(=O)(=O)c1ccccc1 ZINC000751516566 577754678 /nfs/dbraw/zinc/75/46/78/577754678.db2.gz KFVWUJDXHBBLJE-HNNXBMFYSA-N 1 2 343.452 2.473 20 30 EEEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CC1=NNS(=O)(=O)c1ccccc1 ZINC000751516566 577754679 /nfs/dbraw/zinc/75/46/79/577754679.db2.gz KFVWUJDXHBBLJE-HNNXBMFYSA-N 1 2 343.452 2.473 20 30 EEEDLO N#Cc1cc(COC(=O)c2cccc(C[NH+]3CCOCC3)c2)ccn1 ZINC000747063536 577938662 /nfs/dbraw/zinc/93/86/62/577938662.db2.gz CJYYORKCFQGLHE-UHFFFAOYSA-N 1 2 337.379 2.142 20 30 EEEDLO N#Cc1ccc(CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)cc1 ZINC000822825655 606222201 /nfs/dbraw/zinc/22/22/01/606222201.db2.gz KLKAUMZPOPHTJL-UHFFFAOYSA-N 1 2 327.351 2.321 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCCC[N@@H+]2Cc2ccon2)nc1 ZINC000969121915 674602885 /nfs/dbraw/zinc/60/28/85/674602885.db2.gz QQEXYBYHKSCACO-KRWDZBQOSA-N 1 2 338.411 2.226 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCCC[N@H+]2Cc2ccon2)nc1 ZINC000969121915 674602887 /nfs/dbraw/zinc/60/28/87/674602887.db2.gz QQEXYBYHKSCACO-KRWDZBQOSA-N 1 2 338.411 2.226 20 30 EEEDLO C[C@@H](NC(=O)C1CCOCC1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969196194 674683212 /nfs/dbraw/zinc/68/32/12/674683212.db2.gz PWGSSDJSXIMOIZ-CYBMUJFWSA-N 1 2 345.418 2.060 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC000970512240 675950469 /nfs/dbraw/zinc/95/04/69/675950469.db2.gz GJHHWACDWNFAHC-MEDUHNTESA-N 1 2 338.810 2.318 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(F)cn2)C1 ZINC000970570262 675992609 /nfs/dbraw/zinc/99/26/09/675992609.db2.gz IMSUQAJIEKDWTG-BVGQSLNGSA-N 1 2 347.434 2.138 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc3c([nH]c2=O)CCC3)C1 ZINC000970876699 676210686 /nfs/dbraw/zinc/21/06/86/676210686.db2.gz VKALOKPUPZYANK-NSHDSACASA-N 1 2 335.835 2.079 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cn3cc(C)ccc3n2)C1 ZINC000969960432 675342693 /nfs/dbraw/zinc/34/26/93/675342693.db2.gz ZDDOYXCGJVOJMC-ZDUSSCGKSA-N 1 2 332.835 2.445 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3c(c2)ncn3C)C1 ZINC000970002749 675376200 /nfs/dbraw/zinc/37/62/00/675376200.db2.gz XVTQJVLGAGHROP-GFCCVEGCSA-N 1 2 332.835 2.376 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2COc3ccccc3C2)C1 ZINC000970103351 675494699 /nfs/dbraw/zinc/49/46/99/675494699.db2.gz CAFKBYGUJBWMFG-UKRRQHHQSA-N 1 2 334.847 2.427 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2ncccn2)C1 ZINC000971688629 676739166 /nfs/dbraw/zinc/73/91/66/676739166.db2.gz ZCACTLLBTQXAJG-JKSUJKDBSA-N 1 2 339.443 2.372 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2ncccn2)C1 ZINC000971688629 676739167 /nfs/dbraw/zinc/73/91/67/676739167.db2.gz ZCACTLLBTQXAJG-JKSUJKDBSA-N 1 2 339.443 2.372 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc3n(n2)CCC3)C1 ZINC000972248173 678448183 /nfs/dbraw/zinc/44/81/83/678448183.db2.gz WXKCECNLCCHJCU-IEBWSBKVSA-N 1 2 330.476 2.464 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc3n(n2)CCC3)C1 ZINC000972248173 678448187 /nfs/dbraw/zinc/44/81/87/678448187.db2.gz WXKCECNLCCHJCU-IEBWSBKVSA-N 1 2 330.476 2.464 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@@H]([N@H+](C)Cc3nc(C)cs3)C2)c1 ZINC000972283944 678493714 /nfs/dbraw/zinc/49/37/14/678493714.db2.gz DLLRLGCHDFAZNM-MRXNPFEDSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3nc(C)cs3)C2)c1 ZINC000972283944 678493717 /nfs/dbraw/zinc/49/37/17/678493717.db2.gz DLLRLGCHDFAZNM-MRXNPFEDSA-N 1 2 340.452 2.174 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000949662847 678547080 /nfs/dbraw/zinc/54/70/80/678547080.db2.gz GDPSVXCCERJLHD-UHFFFAOYSA-N 1 2 327.428 2.445 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)OC3CCCCC3)C2)C1 ZINC000972381622 678628437 /nfs/dbraw/zinc/62/84/37/678628437.db2.gz SGWTXXHJHCFBTA-AZUAARDMSA-N 1 2 348.487 2.051 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)OC3CCCCC3)C2)C1 ZINC000972381622 678628440 /nfs/dbraw/zinc/62/84/40/678628440.db2.gz SGWTXXHJHCFBTA-AZUAARDMSA-N 1 2 348.487 2.051 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(F)c(C)cc3F)C2)C1 ZINC000972420401 678717132 /nfs/dbraw/zinc/71/71/32/678717132.db2.gz UPTBFXFGXNYWPD-IBGZPJMESA-N 1 2 348.393 2.213 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(F)c(C)cc3F)C2)C1 ZINC000972420401 678717134 /nfs/dbraw/zinc/71/71/34/678717134.db2.gz UPTBFXFGXNYWPD-IBGZPJMESA-N 1 2 348.393 2.213 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)C3CC3)C2)C1 ZINC000972463694 678798085 /nfs/dbraw/zinc/79/80/85/678798085.db2.gz WLKYWZWKRZGYBF-FPOVZHCZSA-N 1 2 338.451 2.117 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)C3CC3)C2)C1 ZINC000972463694 678798089 /nfs/dbraw/zinc/79/80/89/678798089.db2.gz WLKYWZWKRZGYBF-FPOVZHCZSA-N 1 2 338.451 2.117 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4c3O[C@@H](C)C4)C2)C1 ZINC000972467502 678809443 /nfs/dbraw/zinc/80/94/43/678809443.db2.gz ZCBLHCBQKOQOBG-YWZLYKJASA-N 1 2 342.439 2.113 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4c3O[C@@H](C)C4)C2)C1 ZINC000972467502 678809447 /nfs/dbraw/zinc/80/94/47/678809447.db2.gz ZCBLHCBQKOQOBG-YWZLYKJASA-N 1 2 342.439 2.113 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001067440143 678877920 /nfs/dbraw/zinc/87/79/20/678877920.db2.gz KNXDNWPHDBFAGZ-UHFFFAOYSA-N 1 2 334.464 2.170 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4[nH]ccc43)C2)C1 ZINC000972563342 679298611 /nfs/dbraw/zinc/29/86/11/679298611.db2.gz RECWHYUPNWIYPB-FQEVSTJZSA-N 1 2 337.423 2.108 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4[nH]ccc43)C2)C1 ZINC000972563342 679298613 /nfs/dbraw/zinc/29/86/13/679298613.db2.gz RECWHYUPNWIYPB-FQEVSTJZSA-N 1 2 337.423 2.108 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc(OC)c3C)C2)C1 ZINC000972571645 679328648 /nfs/dbraw/zinc/32/86/48/679328648.db2.gz FCRSBDKVZIIYCV-LJQANCHMSA-N 1 2 330.428 2.107 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc(OC)c3C)C2)C1 ZINC000972571645 679328650 /nfs/dbraw/zinc/32/86/50/679328650.db2.gz FCRSBDKVZIIYCV-LJQANCHMSA-N 1 2 330.428 2.107 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Cc3cccs3)C2)C1 ZINC000972573505 679330103 /nfs/dbraw/zinc/33/01/03/679330103.db2.gz QQQWITLYXQHBFP-QAPCUYQASA-N 1 2 334.485 2.416 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Cc3cccs3)C2)C1 ZINC000972573505 679330104 /nfs/dbraw/zinc/33/01/04/679330104.db2.gz QQQWITLYXQHBFP-QAPCUYQASA-N 1 2 334.485 2.416 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)Cc3ccccc3)C2)C1 ZINC000972576812 679337850 /nfs/dbraw/zinc/33/78/50/679337850.db2.gz GNKFGQYSNAJACR-PZJWPPBQSA-N 1 2 340.467 2.192 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)Cc3ccccc3)C2)C1 ZINC000972576812 679337852 /nfs/dbraw/zinc/33/78/52/679337852.db2.gz GNKFGQYSNAJACR-PZJWPPBQSA-N 1 2 340.467 2.192 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ncoc3C(C)(C)C)C2)C1 ZINC000972632861 679467286 /nfs/dbraw/zinc/46/72/86/679467286.db2.gz WOJLQTLJOXOHDY-GOSISDBHSA-N 1 2 333.432 2.075 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ncoc3C(C)(C)C)C2)C1 ZINC000972632861 679467288 /nfs/dbraw/zinc/46/72/88/679467288.db2.gz WOJLQTLJOXOHDY-GOSISDBHSA-N 1 2 333.432 2.075 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)c(F)c(C)c3)C2)C1 ZINC000972675940 679585687 /nfs/dbraw/zinc/58/56/87/679585687.db2.gz GFUMMGVLUGYVHG-FQEVSTJZSA-N 1 2 344.430 2.383 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)c(F)c(C)c3)C2)C1 ZINC000972675940 679585688 /nfs/dbraw/zinc/58/56/88/679585688.db2.gz GFUMMGVLUGYVHG-FQEVSTJZSA-N 1 2 344.430 2.383 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3csc(C)n3)C2)nc1 ZINC000972757235 679750251 /nfs/dbraw/zinc/75/02/51/679750251.db2.gz WVWHBOPDBJOANM-INIZCTEOSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3csc(C)n3)C2)nc1 ZINC000972757235 679750253 /nfs/dbraw/zinc/75/02/53/679750253.db2.gz WVWHBOPDBJOANM-INIZCTEOSA-N 1 2 340.452 2.174 20 30 EEEDLO Cc1ocnc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2C#N)CC1(C)C ZINC000972845216 679817887 /nfs/dbraw/zinc/81/78/87/679817887.db2.gz FLGMQCYGABAOOZ-INIZCTEOSA-N 1 2 338.411 2.495 20 30 EEEDLO Cc1ocnc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2C#N)CC1(C)C ZINC000972845216 679817888 /nfs/dbraw/zinc/81/78/88/679817888.db2.gz FLGMQCYGABAOOZ-INIZCTEOSA-N 1 2 338.411 2.495 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1cocn1 ZINC000972859085 679821857 /nfs/dbraw/zinc/82/18/57/679821857.db2.gz FHRSGGJAIJPMRU-MRXNPFEDSA-N 1 2 342.374 2.326 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1cocn1 ZINC000972859085 679821858 /nfs/dbraw/zinc/82/18/58/679821858.db2.gz FHRSGGJAIJPMRU-MRXNPFEDSA-N 1 2 342.374 2.326 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccn[nH]2)c(F)c1 ZINC001024346479 679878670 /nfs/dbraw/zinc/87/86/70/679878670.db2.gz MZRFDWJRBLZWTI-HNNXBMFYSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccn[nH]2)c(F)c1 ZINC001024346479 679878671 /nfs/dbraw/zinc/87/86/71/679878671.db2.gz MZRFDWJRBLZWTI-HNNXBMFYSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2cnns2)cc1 ZINC001024348090 679879932 /nfs/dbraw/zinc/87/99/32/679879932.db2.gz GTFZRWNYCAVGMH-OAHLLOKOSA-N 1 2 341.440 2.194 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2cnns2)cc1 ZINC001024348090 679879933 /nfs/dbraw/zinc/87/99/33/679879933.db2.gz GTFZRWNYCAVGMH-OAHLLOKOSA-N 1 2 341.440 2.194 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)c(C)o1 ZINC001024379853 679888349 /nfs/dbraw/zinc/88/83/49/679888349.db2.gz CAYUYTLOVXCFSH-HNNXBMFYSA-N 1 2 341.415 2.276 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)c(C)o1 ZINC001024379853 679888350 /nfs/dbraw/zinc/88/83/50/679888350.db2.gz CAYUYTLOVXCFSH-HNNXBMFYSA-N 1 2 341.415 2.276 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2cnco2)ccc1F ZINC001024582709 681235840 /nfs/dbraw/zinc/23/58/40/681235840.db2.gz CJWQWKHPFQYCGL-HNNXBMFYSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)c2cnco2)ccc1F ZINC001024582709 681235846 /nfs/dbraw/zinc/23/58/46/681235846.db2.gz CJWQWKHPFQYCGL-HNNXBMFYSA-N 1 2 342.374 2.470 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1nccn2ccnc12 ZINC001024658921 681326030 /nfs/dbraw/zinc/32/60/30/681326030.db2.gz SRCJEHPFKORALU-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1nccn2ccnc12 ZINC001024658921 681326032 /nfs/dbraw/zinc/32/60/32/681326032.db2.gz SRCJEHPFKORALU-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001024735138 681396976 /nfs/dbraw/zinc/39/69/76/681396976.db2.gz DDUJSMSNCHYRCZ-LSDHHAIUSA-N 1 2 328.460 2.142 20 30 EEEDLO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001024735138 681396981 /nfs/dbraw/zinc/39/69/81/681396981.db2.gz DDUJSMSNCHYRCZ-LSDHHAIUSA-N 1 2 328.460 2.142 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1nccn2cc(C)nc12 ZINC001024747983 681410454 /nfs/dbraw/zinc/41/04/54/681410454.db2.gz YQTWLIQWDNBISW-AWEZNQCLSA-N 1 2 347.850 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1nccn2cc(C)nc12 ZINC001024747983 681410456 /nfs/dbraw/zinc/41/04/56/681410456.db2.gz YQTWLIQWDNBISW-AWEZNQCLSA-N 1 2 347.850 2.375 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)n1 ZINC001059111541 682212040 /nfs/dbraw/zinc/21/20/40/682212040.db2.gz ZZVDDRFGHIXFDM-HNNXBMFYSA-N 1 2 346.394 2.465 20 30 EEEDLO CCO[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029226281 683595535 /nfs/dbraw/zinc/59/55/35/683595535.db2.gz AZFADLPCBFYSIS-FCGDIQPGSA-N 1 2 339.439 2.158 20 30 EEEDLO CCO[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029226281 683595537 /nfs/dbraw/zinc/59/55/37/683595537.db2.gz AZFADLPCBFYSIS-FCGDIQPGSA-N 1 2 339.439 2.158 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cnccn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000992985087 683714633 /nfs/dbraw/zinc/71/46/33/683714633.db2.gz WLGDUZPFEBHMNP-YOEHRIQHSA-N 1 2 335.411 2.131 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cnccn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000992985087 683714637 /nfs/dbraw/zinc/71/46/37/683714637.db2.gz WLGDUZPFEBHMNP-YOEHRIQHSA-N 1 2 335.411 2.131 20 30 EEEDLO Cc1ncncc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000993098358 683923829 /nfs/dbraw/zinc/92/38/29/683923829.db2.gz YEQKHVKPHJPUHG-BEFAXECRSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1ncncc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000993098358 683923831 /nfs/dbraw/zinc/92/38/31/683923831.db2.gz YEQKHVKPHJPUHG-BEFAXECRSA-N 1 2 349.438 2.440 20 30 EEEDLO C[C@@H]1CO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)C1 ZINC001029399630 684232756 /nfs/dbraw/zinc/23/27/56/684232756.db2.gz TXBVXCAQHAVLDB-FFGOWVMKSA-N 1 2 338.451 2.138 20 30 EEEDLO C[C@@H]1CO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)C1 ZINC001029399630 684232757 /nfs/dbraw/zinc/23/27/57/684232757.db2.gz TXBVXCAQHAVLDB-FFGOWVMKSA-N 1 2 338.451 2.138 20 30 EEEDLO C#CC[C@@H](CO)[NH2+]Cc1nc(N(C)C)n(-c2ccccc2)c1Cl ZINC000895491138 684619336 /nfs/dbraw/zinc/61/93/36/684619336.db2.gz XVIFFXLPARYBIB-ZDUSSCGKSA-N 1 2 332.835 2.066 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nc3cccnc3s2)C(C)(C)C1 ZINC000974688738 685229416 /nfs/dbraw/zinc/22/94/16/685229416.db2.gz IKCZVKVWNUGHHY-CYBMUJFWSA-N 1 2 328.441 2.155 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2nc3cccnc3s2)C(C)(C)C1 ZINC000974688738 685229421 /nfs/dbraw/zinc/22/94/21/685229421.db2.gz IKCZVKVWNUGHHY-CYBMUJFWSA-N 1 2 328.441 2.155 20 30 EEEDLO C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)s2)CCOC1 ZINC001029529679 685730430 /nfs/dbraw/zinc/73/04/30/685730430.db2.gz IEPKESOQLOPSNJ-IYOUNJFTSA-N 1 2 345.468 2.222 20 30 EEEDLO C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)s2)CCOC1 ZINC001029529679 685730434 /nfs/dbraw/zinc/73/04/34/685730434.db2.gz IEPKESOQLOPSNJ-IYOUNJFTSA-N 1 2 345.468 2.222 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059561377 687108734 /nfs/dbraw/zinc/10/87/34/687108734.db2.gz WWHJHLWABWMIHM-BEFAXECRSA-N 1 2 346.475 2.299 20 30 EEEDLO CC(C)c1nnc(C[N@H+](C)CC2CCN(C(=O)[C@H](C)C#N)CC2)s1 ZINC001029947920 688662017 /nfs/dbraw/zinc/66/20/17/688662017.db2.gz NMVBODADBNFNFB-CYBMUJFWSA-N 1 2 349.504 2.492 20 30 EEEDLO CC(C)c1nnc(C[N@@H+](C)CC2CCN(C(=O)[C@H](C)C#N)CC2)s1 ZINC001029947920 688662020 /nfs/dbraw/zinc/66/20/20/688662020.db2.gz NMVBODADBNFNFB-CYBMUJFWSA-N 1 2 349.504 2.492 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001060178213 694257040 /nfs/dbraw/zinc/25/70/40/694257040.db2.gz NAXCGQOKJRJSSK-DLBZAZTESA-N 1 2 346.475 2.230 20 30 EEEDLO C=CCCCC(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059819706 689932989 /nfs/dbraw/zinc/93/29/89/689932989.db2.gz MKUPXUNYGUGANS-OAHLLOKOSA-N 1 2 332.448 2.053 20 30 EEEDLO C=CCCCC(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059819706 689932993 /nfs/dbraw/zinc/93/29/93/689932993.db2.gz MKUPXUNYGUGANS-OAHLLOKOSA-N 1 2 332.448 2.053 20 30 EEEDLO C=CCCCC(=O)NCC[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001059972244 691653244 /nfs/dbraw/zinc/65/32/44/691653244.db2.gz KSPTXZSEXJXFLB-HNNXBMFYSA-N 1 2 346.475 2.398 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2C#N)CC1(C)C ZINC000977427007 692619068 /nfs/dbraw/zinc/61/90/68/692619068.db2.gz SEXPBVRCUKAZBS-INIZCTEOSA-N 1 2 338.411 2.495 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2C#N)CC1(C)C ZINC000977427007 692619071 /nfs/dbraw/zinc/61/90/71/692619071.db2.gz SEXPBVRCUKAZBS-INIZCTEOSA-N 1 2 338.411 2.495 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnn(CC3CC3)c2)C(C)(C)C1 ZINC000977483514 692670605 /nfs/dbraw/zinc/67/06/05/692670605.db2.gz HJAWUUQWCDGADL-HNNXBMFYSA-N 1 2 336.867 2.486 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnn(CC3CC3)c2)C(C)(C)C1 ZINC000977483514 692670607 /nfs/dbraw/zinc/67/06/07/692670607.db2.gz HJAWUUQWCDGADL-HNNXBMFYSA-N 1 2 336.867 2.486 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc3nnn(C)c3c2)C(C)(C)C1 ZINC000977512435 692709466 /nfs/dbraw/zinc/70/94/66/692709466.db2.gz HRAYQCPCFLPBFZ-OAHLLOKOSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc3nnn(C)c3c2)C(C)(C)C1 ZINC000977512435 692709470 /nfs/dbraw/zinc/70/94/70/692709470.db2.gz HRAYQCPCFLPBFZ-OAHLLOKOSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(N(C)C)ccn2)C(C)(C)C1 ZINC000977651621 692881095 /nfs/dbraw/zinc/88/10/95/692881095.db2.gz GFRTUCLJBJUQSS-HNNXBMFYSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(N(C)C)ccn2)C(C)(C)C1 ZINC000977651621 692881099 /nfs/dbraw/zinc/88/10/99/692881099.db2.gz GFRTUCLJBJUQSS-HNNXBMFYSA-N 1 2 336.867 2.340 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3coc(C)n3)C2)c1 ZINC001027568311 693091437 /nfs/dbraw/zinc/09/14/37/693091437.db2.gz FAGCCULXOOTPDM-GOSISDBHSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3coc(C)n3)C2)c1 ZINC001027568311 693091440 /nfs/dbraw/zinc/09/14/40/693091440.db2.gz FAGCCULXOOTPDM-GOSISDBHSA-N 1 2 338.411 2.096 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000943764339 1192544207 /nfs/dbraw/zinc/54/42/07/1192544207.db2.gz XPVYZOMVBSDZBZ-WKILWMFISA-N 1 2 344.459 2.242 20 30 EEEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3cc(F)cc(F)c3)C2)cn1 ZINC001032136489 1192766968 /nfs/dbraw/zinc/76/69/68/1192766968.db2.gz ALQHRINDBHPXSG-UHFFFAOYSA-N 1 2 341.361 2.203 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+](CCNC(=O)C2CCOCC2)C2CC2)c1 ZINC001481156535 1179944490 /nfs/dbraw/zinc/94/44/90/1179944490.db2.gz VDPHAXSGCVBTEO-UHFFFAOYSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+](CCNC(=O)C2CCOCC2)C2CC2)c1 ZINC001481156535 1179944497 /nfs/dbraw/zinc/94/44/97/1179944497.db2.gz VDPHAXSGCVBTEO-UHFFFAOYSA-N 1 2 345.418 2.205 20 30 EEEDLO O=C(C#Cc1ccncc1)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001270336415 1185027603 /nfs/dbraw/zinc/02/76/03/1185027603.db2.gz RDBWBMXVOBQTHN-UHFFFAOYSA-N 1 2 337.345 2.062 20 30 EEEDLO O=C(C#Cc1ccncc1)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001270336415 1185027608 /nfs/dbraw/zinc/02/76/08/1185027608.db2.gz RDBWBMXVOBQTHN-UHFFFAOYSA-N 1 2 337.345 2.062 20 30 EEEDLO CCn1ccnc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccc3C#N)[C@@H]2C1 ZINC001270802807 1185401926 /nfs/dbraw/zinc/40/19/26/1185401926.db2.gz FAVQTRLMLLPIEJ-FUHWJXTLSA-N 1 2 349.438 2.121 20 30 EEEDLO CCn1ccnc1C[N@H+]1C[C@@H]2CCN(C(=O)c3ccccc3C#N)[C@@H]2C1 ZINC001270802807 1185401929 /nfs/dbraw/zinc/40/19/29/1185401929.db2.gz FAVQTRLMLLPIEJ-FUHWJXTLSA-N 1 2 349.438 2.121 20 30 EEEDLO C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2scnc2C(F)(F)F)C1 ZINC001034255445 1195999178 /nfs/dbraw/zinc/99/91/78/1195999178.db2.gz YEILAHGGFXUWSB-SNVBAGLBSA-N 1 2 331.363 2.379 20 30 EEEDLO Cc1cc(C[N@@H+]2CCO[C@@](C)(CNC(=O)C#CC3CC3)C2)cs1 ZINC001107932201 1193478817 /nfs/dbraw/zinc/47/88/17/1193478817.db2.gz HUZZQRKRARUTII-SFHVURJKSA-N 1 2 332.469 2.177 20 30 EEEDLO Cc1cc(C[N@H+]2CCO[C@@](C)(CNC(=O)C#CC3CC3)C2)cs1 ZINC001107932201 1193478818 /nfs/dbraw/zinc/47/88/18/1193478818.db2.gz HUZZQRKRARUTII-SFHVURJKSA-N 1 2 332.469 2.177 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N(C)CCN(C)c3ccc(C#N)nc3)ccn12 ZINC001105472330 1187996637 /nfs/dbraw/zinc/99/66/37/1187996637.db2.gz QCNVULJFIPNIEC-UHFFFAOYSA-N 1 2 348.410 2.118 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4ccnc4c3)[C@@H]2C1 ZINC001076032420 1188674362 /nfs/dbraw/zinc/67/43/62/1188674362.db2.gz ZPOMMNJOBJVTJJ-LSDHHAIUSA-N 1 2 330.819 2.233 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4ccnc4c3)[C@@H]2C1 ZINC001076032420 1188674363 /nfs/dbraw/zinc/67/43/63/1188674363.db2.gz ZPOMMNJOBJVTJJ-LSDHHAIUSA-N 1 2 330.819 2.233 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001076263637 1188815475 /nfs/dbraw/zinc/81/54/75/1188815475.db2.gz LWERATANFCLZGW-JPWOUHJPSA-N 1 2 345.270 2.429 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001076263637 1188815477 /nfs/dbraw/zinc/81/54/77/1188815477.db2.gz LWERATANFCLZGW-JPWOUHJPSA-N 1 2 345.270 2.429 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(C(F)F)c3)[C@@H]2C1 ZINC001076404517 1188896899 /nfs/dbraw/zinc/89/68/99/1188896899.db2.gz ZNZLUPKAXATWMR-CMPLNLGQSA-N 1 2 330.766 2.177 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(C(F)F)c3)[C@@H]2C1 ZINC001076404517 1188896901 /nfs/dbraw/zinc/89/69/01/1188896901.db2.gz ZNZLUPKAXATWMR-CMPLNLGQSA-N 1 2 330.766 2.177 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001076711684 1189121121 /nfs/dbraw/zinc/12/11/21/1189121121.db2.gz KYZIDUSQMWVTOT-GJZGRUSLSA-N 1 2 346.475 2.346 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001076711684 1189121122 /nfs/dbraw/zinc/12/11/22/1189121122.db2.gz KYZIDUSQMWVTOT-GJZGRUSLSA-N 1 2 346.475 2.346 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC001409658056 1190153129 /nfs/dbraw/zinc/15/31/29/1190153129.db2.gz XMXQDSJERNAVQJ-ZDUSSCGKSA-N 1 2 337.851 2.191 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC001409658056 1190153131 /nfs/dbraw/zinc/15/31/31/1190153131.db2.gz XMXQDSJERNAVQJ-ZDUSSCGKSA-N 1 2 337.851 2.191 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(C(F)(F)F)nn2)C1=O ZINC001272507604 1190857455 /nfs/dbraw/zinc/85/74/55/1190857455.db2.gz HPLHBSVIRBYJSJ-OAHLLOKOSA-N 1 2 340.349 2.248 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C(F)(F)F)nn2)C1=O ZINC001272507604 1190857458 /nfs/dbraw/zinc/85/74/58/1190857458.db2.gz HPLHBSVIRBYJSJ-OAHLLOKOSA-N 1 2 340.349 2.248 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2scnc2C(C)C)C1 ZINC001484241862 1191284325 /nfs/dbraw/zinc/28/43/25/1191284325.db2.gz RQRFITGFJUBJQT-OAHLLOKOSA-N 1 2 343.880 2.186 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2scnc2C(C)C)C1 ZINC001484241862 1191284327 /nfs/dbraw/zinc/28/43/27/1191284327.db2.gz RQRFITGFJUBJQT-OAHLLOKOSA-N 1 2 343.880 2.186 20 30 EEEDLO CC[C@@H](C)CCC(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001272990756 1194298977 /nfs/dbraw/zinc/29/89/77/1194298977.db2.gz JJVHMQGBXMIYKA-OAHLLOKOSA-N 1 2 328.460 2.367 20 30 EEEDLO CCc1cccc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)n1 ZINC001014740841 1224269484 /nfs/dbraw/zinc/26/94/84/1224269484.db2.gz AULPQMTZDJEIOR-IBGZPJMESA-N 1 2 333.435 2.500 20 30 EEEDLO CCc1cccc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)n1 ZINC001014740841 1224269494 /nfs/dbraw/zinc/26/94/94/1224269494.db2.gz AULPQMTZDJEIOR-IBGZPJMESA-N 1 2 333.435 2.500 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nc1C(C)(C)C ZINC001018070016 1224288837 /nfs/dbraw/zinc/28/88/37/1224288837.db2.gz YVQAEEOXZQOCCQ-GASCZTMLSA-N 1 2 328.460 2.030 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nc1C(C)(C)C ZINC001018070016 1224288847 /nfs/dbraw/zinc/28/88/47/1224288847.db2.gz YVQAEEOXZQOCCQ-GASCZTMLSA-N 1 2 328.460 2.030 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnc3c(cnn3C)c2)C1 ZINC001034007034 1195650829 /nfs/dbraw/zinc/65/08/29/1195650829.db2.gz VQEZYPHDFRPQBU-HNNXBMFYSA-N 1 2 347.850 2.257 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnc3c(cnn3C)c2)C1 ZINC001034007034 1195650833 /nfs/dbraw/zinc/65/08/33/1195650833.db2.gz VQEZYPHDFRPQBU-HNNXBMFYSA-N 1 2 347.850 2.257 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C(=O)NC)c2)C1 ZINC001034044480 1195695960 /nfs/dbraw/zinc/69/59/60/1195695960.db2.gz LUIIKSSZMRBEGJ-MRXNPFEDSA-N 1 2 349.862 2.335 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C(=O)NC)c2)C1 ZINC001034044480 1195695962 /nfs/dbraw/zinc/69/59/62/1195695962.db2.gz LUIIKSSZMRBEGJ-MRXNPFEDSA-N 1 2 349.862 2.335 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC001034122029 1195807312 /nfs/dbraw/zinc/80/73/12/1195807312.db2.gz HYRMMDPOQNWGBM-MAUKXSAKSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC001034122029 1195807316 /nfs/dbraw/zinc/80/73/16/1195807316.db2.gz HYRMMDPOQNWGBM-MAUKXSAKSA-N 1 2 345.418 2.205 20 30 EEEDLO C#CC[N@H+]1CCCC[C@@H](NC(=O)c2scnc2C(F)(F)F)C1 ZINC001034255445 1195999175 /nfs/dbraw/zinc/99/91/75/1195999175.db2.gz YEILAHGGFXUWSB-SNVBAGLBSA-N 1 2 331.363 2.379 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001078964590 1196061473 /nfs/dbraw/zinc/06/14/73/1196061473.db2.gz RLJWMVNXVDFAIG-HNNXBMFYSA-N 1 2 346.475 2.394 20 30 EEEDLO CC1(C(=O)NC[C@@]2(C)C[N@H+](Cc3ccc(C#N)cc3)CCO2)CCC1 ZINC001108128835 1196316735 /nfs/dbraw/zinc/31/67/35/1196316735.db2.gz MMFPBRHKWHZSTN-FQEVSTJZSA-N 1 2 341.455 2.456 20 30 EEEDLO CC1(C(=O)NC[C@@]2(C)C[N@@H+](Cc3ccc(C#N)cc3)CCO2)CCC1 ZINC001108128835 1196316738 /nfs/dbraw/zinc/31/67/38/1196316738.db2.gz MMFPBRHKWHZSTN-FQEVSTJZSA-N 1 2 341.455 2.456 20 30 EEEDLO CC#CCCCC(=O)NC[C@]1(C)C[N@H+](CCC(F)(F)F)CCO1 ZINC001108143938 1196573467 /nfs/dbraw/zinc/57/34/67/1196573467.db2.gz HZIJBKRHYPGUBS-OAHLLOKOSA-N 1 2 334.382 2.340 20 30 EEEDLO CC#CCCCC(=O)NC[C@]1(C)C[N@@H+](CCC(F)(F)F)CCO1 ZINC001108143938 1196573471 /nfs/dbraw/zinc/57/34/71/1196573471.db2.gz HZIJBKRHYPGUBS-OAHLLOKOSA-N 1 2 334.382 2.340 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001108153934 1196696120 /nfs/dbraw/zinc/69/61/20/1196696120.db2.gz UZHPRIRMFNVNQS-AUUYWEPGSA-N 1 2 330.428 2.189 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001108153934 1196696122 /nfs/dbraw/zinc/69/61/22/1196696122.db2.gz UZHPRIRMFNVNQS-AUUYWEPGSA-N 1 2 330.428 2.189 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1Br ZINC001018143103 1224386915 /nfs/dbraw/zinc/38/69/15/1224386915.db2.gz AIKQWOXILNJJEL-TXEJJXNPSA-N 1 2 337.217 2.354 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1Br ZINC001018143103 1224386923 /nfs/dbraw/zinc/38/69/23/1224386923.db2.gz AIKQWOXILNJJEL-TXEJJXNPSA-N 1 2 337.217 2.354 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3cnccc3Cl)C2)OCC1=O ZINC001273171129 1197298711 /nfs/dbraw/zinc/29/87/11/1197298711.db2.gz CWSXBPYOZJROCR-QGZVFWFLSA-N 1 2 335.835 2.114 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3cnccc3Cl)C2)OCC1=O ZINC001273171129 1197298714 /nfs/dbraw/zinc/29/87/14/1197298714.db2.gz CWSXBPYOZJROCR-QGZVFWFLSA-N 1 2 335.835 2.114 20 30 EEEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccnc(Cl)c1F)CC2 ZINC001273206887 1197537085 /nfs/dbraw/zinc/53/70/85/1197537085.db2.gz SBKUARWQKQGYEZ-CYBMUJFWSA-N 1 2 335.810 2.226 20 30 EEEDLO CCOCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)cc(C#N)c2)C1=O ZINC001273237337 1197640931 /nfs/dbraw/zinc/64/09/31/1197640931.db2.gz PDQMZJSZEYKMLL-LJQANCHMSA-N 1 2 345.418 2.301 20 30 EEEDLO CCOCCN1CC[C@]2(CCC[N@H+]2Cc2cc(F)cc(C#N)c2)C1=O ZINC001273237337 1197640933 /nfs/dbraw/zinc/64/09/33/1197640933.db2.gz PDQMZJSZEYKMLL-LJQANCHMSA-N 1 2 345.418 2.301 20 30 EEEDLO C[C@H]1CSC[C@@H]1N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000794713199 1197909115 /nfs/dbraw/zinc/90/91/15/1197909115.db2.gz LEBJWXYYXHNQNS-FZMZJTMJSA-N 1 2 342.468 2.398 20 30 EEEDLO Cc1cc(NN=Cc2c(Cl)n(C)nc2C(F)(F)F)nc(N)[nH+]1 ZINC000872420865 1198175722 /nfs/dbraw/zinc/17/57/22/1198175722.db2.gz POEXKCYODDPJOT-UHFFFAOYSA-N 1 2 333.705 2.219 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2csc(-c3ccc(C)n3C)n2)CC1 ZINC000124098236 1198190999 /nfs/dbraw/zinc/19/09/99/1198190999.db2.gz OHRYBKKZAKKCOY-UHFFFAOYSA-N 1 2 342.468 2.238 20 30 EEEDLO C=C1CCC(C(=O)N2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)CC1 ZINC001011650598 1224477566 /nfs/dbraw/zinc/47/75/66/1224477566.db2.gz JGWVXRMJANCUBF-UHFFFAOYSA-N 1 2 344.459 2.105 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OCC)c(OC)c1 ZINC001018259049 1224535721 /nfs/dbraw/zinc/53/57/21/1224535721.db2.gz UPCJIPNLUFGBBS-IYBDPMFKSA-N 1 2 328.412 2.016 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OCC)c(OC)c1 ZINC001018259049 1224535728 /nfs/dbraw/zinc/53/57/28/1224535728.db2.gz UPCJIPNLUFGBBS-IYBDPMFKSA-N 1 2 328.412 2.016 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCCS(=O)(=O)CC)C1 ZINC001132073919 1199265914 /nfs/dbraw/zinc/26/59/14/1199265914.db2.gz YQAJCBHEHUNPJA-HOTGVXAUSA-N 1 2 344.521 2.137 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCS(=O)(=O)CC)C1 ZINC001132073919 1199265918 /nfs/dbraw/zinc/26/59/18/1199265918.db2.gz YQAJCBHEHUNPJA-HOTGVXAUSA-N 1 2 344.521 2.137 20 30 EEEDLO C[C@H](C[C@@H](C)[NH2+]CC(F)(F)C(F)F)NC(=O)c1ccc(C#N)[nH]1 ZINC001134156556 1199363867 /nfs/dbraw/zinc/36/38/67/1199363867.db2.gz MJYHNARAKOHAFQ-RKDXNWHRSA-N 1 2 334.317 2.273 20 30 EEEDLO COCC#CC[N@@H+]1C[C@H](NC(=O)c2ncc(Cl)s2)CC[C@@H]1C ZINC001132169196 1199383241 /nfs/dbraw/zinc/38/32/41/1199383241.db2.gz KPMMLGIOYMDNHO-NWDGAFQWSA-N 1 2 341.864 2.029 20 30 EEEDLO COCC#CC[N@H+]1C[C@H](NC(=O)c2ncc(Cl)s2)CC[C@@H]1C ZINC001132169196 1199383243 /nfs/dbraw/zinc/38/32/43/1199383243.db2.gz KPMMLGIOYMDNHO-NWDGAFQWSA-N 1 2 341.864 2.029 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cncc(OC)n2)C1 ZINC001132227229 1199466851 /nfs/dbraw/zinc/46/68/51/1199466851.db2.gz AYPPDNBNKOBLNS-KBPBESRZSA-N 1 2 332.448 2.167 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cncc(OC)n2)C1 ZINC001132227229 1199466856 /nfs/dbraw/zinc/46/68/56/1199466856.db2.gz AYPPDNBNKOBLNS-KBPBESRZSA-N 1 2 332.448 2.167 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2noc3c2COCC3)C1 ZINC001132228328 1199470113 /nfs/dbraw/zinc/47/01/13/1199470113.db2.gz PDRIXPQCWIDUMR-KGLIPLIRSA-N 1 2 347.459 2.429 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2noc3c2COCC3)C1 ZINC001132228328 1199470115 /nfs/dbraw/zinc/47/01/15/1199470115.db2.gz PDRIXPQCWIDUMR-KGLIPLIRSA-N 1 2 347.459 2.429 20 30 EEEDLO S=C(NC[C@H]1CCCO1)N[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000814728527 1199688779 /nfs/dbraw/zinc/68/87/79/1199688779.db2.gz ZQRGITAQALHMPW-NWDGAFQWSA-N 1 2 330.457 2.337 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCC(=O)NC(C)C)CC[C@@H]1C ZINC001132429616 1199695949 /nfs/dbraw/zinc/69/59/49/1199695949.db2.gz NHJDKSCJBSXPKU-LSDHHAIUSA-N 1 2 343.899 2.403 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCC(=O)NC(C)C)CC[C@@H]1C ZINC001132429616 1199695956 /nfs/dbraw/zinc/69/59/56/1199695956.db2.gz NHJDKSCJBSXPKU-LSDHHAIUSA-N 1 2 343.899 2.403 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCC(=O)NCC)CC[C@H]1C ZINC001132432818 1199700829 /nfs/dbraw/zinc/70/08/29/1199700829.db2.gz HHPIZMSVQXVACK-ZIAGYGMSSA-N 1 2 329.872 2.014 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCC(=O)NCC)CC[C@H]1C ZINC001132432818 1199700833 /nfs/dbraw/zinc/70/08/33/1199700833.db2.gz HHPIZMSVQXVACK-ZIAGYGMSSA-N 1 2 329.872 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCC(=O)NCCC)CC[C@@H]1C ZINC001132441485 1199725727 /nfs/dbraw/zinc/72/57/27/1199725727.db2.gz PWYLNHIRSOUBIQ-UONOGXRCSA-N 1 2 329.872 2.014 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCC(=O)NCCC)CC[C@@H]1C ZINC001132441485 1199725731 /nfs/dbraw/zinc/72/57/31/1199725731.db2.gz PWYLNHIRSOUBIQ-UONOGXRCSA-N 1 2 329.872 2.014 20 30 EEEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2scnc2Cl)CC[C@@H]1C ZINC001132489496 1199789849 /nfs/dbraw/zinc/78/98/49/1199789849.db2.gz KORSECBEPXKQNY-RYUDHWBXSA-N 1 2 341.864 2.029 20 30 EEEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2scnc2Cl)CC[C@@H]1C ZINC001132489496 1199789852 /nfs/dbraw/zinc/78/98/52/1199789852.db2.gz KORSECBEPXKQNY-RYUDHWBXSA-N 1 2 341.864 2.029 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(CC)OCCc2ccccc21 ZINC000811590628 1200160601 /nfs/dbraw/zinc/16/06/01/1200160601.db2.gz ZVMPQHAQAMONEM-ICSRJNTNSA-N 1 2 326.440 2.078 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(CC)OCCc2ccccc21 ZINC000811590628 1200160604 /nfs/dbraw/zinc/16/06/04/1200160604.db2.gz ZVMPQHAQAMONEM-ICSRJNTNSA-N 1 2 326.440 2.078 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(CC)OCCc2ccccc21 ZINC000811590627 1200160729 /nfs/dbraw/zinc/16/07/29/1200160729.db2.gz ZVMPQHAQAMONEM-AZUAARDMSA-N 1 2 326.440 2.078 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(CC)OCCc2ccccc21 ZINC000811590627 1200160732 /nfs/dbraw/zinc/16/07/32/1200160732.db2.gz ZVMPQHAQAMONEM-AZUAARDMSA-N 1 2 326.440 2.078 20 30 EEEDLO C=CCOc1cccc(NC(=O)NCC[N@H+]2CCOC[C@H]2CC)c1 ZINC000878438079 1200468405 /nfs/dbraw/zinc/46/84/05/1200468405.db2.gz FETWUGZMFDRVCU-MRXNPFEDSA-N 1 2 333.432 2.484 20 30 EEEDLO C=CCOc1cccc(NC(=O)NCC[N@@H+]2CCOC[C@H]2CC)c1 ZINC000878438079 1200468413 /nfs/dbraw/zinc/46/84/13/1200468413.db2.gz FETWUGZMFDRVCU-MRXNPFEDSA-N 1 2 333.432 2.484 20 30 EEEDLO CCc1nnc(C)cc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001014989059 1224620969 /nfs/dbraw/zinc/62/09/69/1224620969.db2.gz BTDHIOZNROELCP-GOSISDBHSA-N 1 2 348.450 2.203 20 30 EEEDLO CCc1nnc(C)cc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001014989059 1224620973 /nfs/dbraw/zinc/62/09/73/1224620973.db2.gz BTDHIOZNROELCP-GOSISDBHSA-N 1 2 348.450 2.203 20 30 EEEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2nc(Cc3ccccc3)no2)C1 ZINC001133571298 1201061278 /nfs/dbraw/zinc/06/12/78/1201061278.db2.gz MLXUXQLMKCOMKA-UHFFFAOYSA-N 1 2 340.427 2.223 20 30 EEEDLO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879584938 1201158595 /nfs/dbraw/zinc/15/85/95/1201158595.db2.gz NJDHCLKKEGYGEM-QGZVFWFLSA-N 1 2 348.450 2.385 20 30 EEEDLO CC(C)(O)C1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000879627553 1201178772 /nfs/dbraw/zinc/17/87/72/1201178772.db2.gz KCGSFJPKGGSJML-CQSZACIVSA-N 1 2 333.457 2.208 20 30 EEEDLO C#C[C@H](CCC)NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000868535785 1201829750 /nfs/dbraw/zinc/82/97/50/1201829750.db2.gz GLBYEUQHDDXIEB-OAHLLOKOSA-N 1 2 332.473 2.236 20 30 EEEDLO C#CC[C@@H](CCOC)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883799011 1202131376 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EEEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2c(OC)cncc2OC)C1=O ZINC001274591755 1205091111 /nfs/dbraw/zinc/09/11/11/1205091111.db2.gz ZHWQNRUKELTZIN-LJQANCHMSA-N 1 2 345.443 2.242 20 30 EEEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@]23CCN(CC(F)F)C3=O)c1 ZINC001274666804 1205123629 /nfs/dbraw/zinc/12/36/29/1205123629.db2.gz IRUZVFMNLAWKSG-KRWDZBQOSA-N 1 2 335.354 2.096 20 30 EEEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@]23CCN(CC(F)F)C3=O)c1 ZINC001274666804 1205123633 /nfs/dbraw/zinc/12/36/33/1205123633.db2.gz IRUZVFMNLAWKSG-KRWDZBQOSA-N 1 2 335.354 2.096 20 30 EEEDLO N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2cccc(O)c2F)C1=O ZINC001274859582 1205190490 /nfs/dbraw/zinc/19/04/90/1205190490.db2.gz QKKMBKUGJABCIF-GOSISDBHSA-N 1 2 331.391 2.402 20 30 EEEDLO N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cccc(O)c2F)C1=O ZINC001274859582 1205190492 /nfs/dbraw/zinc/19/04/92/1205190492.db2.gz QKKMBKUGJABCIF-GOSISDBHSA-N 1 2 331.391 2.402 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC001412361302 1205704858 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343.475 2.103 20 30 EEEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc(C#N)cc1Cl ZINC000930433851 1206557407 /nfs/dbraw/zinc/55/74/07/1206557407.db2.gz DWDZRRMVKMQACI-LBPRGKRZSA-N 1 2 336.823 2.396 20 30 EEEDLO CCOC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000932642848 1207643953 /nfs/dbraw/zinc/64/39/53/1207643953.db2.gz GZDWLCHPOOAWHK-LBPRGKRZSA-N 1 2 335.791 2.035 20 30 EEEDLO CCOC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000932642848 1207643954 /nfs/dbraw/zinc/64/39/54/1207643954.db2.gz GZDWLCHPOOAWHK-LBPRGKRZSA-N 1 2 335.791 2.035 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)n[nH]2)C[C@@H]1C ZINC000947102769 1207823928 /nfs/dbraw/zinc/82/39/28/1207823928.db2.gz DEZHZJHTJNARPF-NWDGAFQWSA-N 1 2 341.253 2.209 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)n[nH]2)C[C@@H]1C ZINC000947102769 1207823932 /nfs/dbraw/zinc/82/39/32/1207823932.db2.gz DEZHZJHTJNARPF-NWDGAFQWSA-N 1 2 341.253 2.209 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3coc(C)n3)[C@@H](C)C2)cn1 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CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(OC)ccn1 ZINC000948947137 1209467826 /nfs/dbraw/zinc/46/78/26/1209467826.db2.gz VBDJKOYDYFBRMY-HXUWFJFHSA-N 1 2 349.434 2.443 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(F)c(C)c3)CC2)C1 ZINC000949450756 1209692368 /nfs/dbraw/zinc/69/23/68/1209692368.db2.gz JCWUPIDHTMQCBW-UHFFFAOYSA-N 1 2 330.403 2.074 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(F)c(C)c3)CC2)C1 ZINC000949450756 1209692371 /nfs/dbraw/zinc/69/23/71/1209692371.db2.gz JCWUPIDHTMQCBW-UHFFFAOYSA-N 1 2 330.403 2.074 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cnc(C(C)C)s3)CC2)C1 ZINC000949536614 1209731902 /nfs/dbraw/zinc/73/19/02/1209731902.db2.gz CECOQEPNVMUGJD-UHFFFAOYSA-N 1 2 347.484 2.207 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cnc(C(C)C)s3)CC2)C1 ZINC000949536614 1209731904 /nfs/dbraw/zinc/73/19/04/1209731904.db2.gz CECOQEPNVMUGJD-UHFFFAOYSA-N 1 2 347.484 2.207 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 ZINC000950543606 1210268590 /nfs/dbraw/zinc/26/85/90/1210268590.db2.gz HXZAGBAFQLVMHL-MSOLQXFVSA-N 1 2 347.503 2.276 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC000950597290 1210296611 /nfs/dbraw/zinc/29/66/11/1210296611.db2.gz KOYUWJAKLICALC-MSOLQXFVSA-N 1 2 344.455 2.239 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC(=O)N[C@@H](CC(C)C)C2)C1 ZINC000950687377 1210352797 /nfs/dbraw/zinc/35/27/97/1210352797.db2.gz MZUNATQHXPTLCC-HOTGVXAUSA-N 1 2 335.492 2.036 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C)nc3onc(C)c32)C1 ZINC000951001881 1210546042 /nfs/dbraw/zinc/54/60/42/1210546042.db2.gz ULNCYTGQCCZMIA-UHFFFAOYSA-N 1 2 326.400 2.009 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000951532018 1210867406 /nfs/dbraw/zinc/86/74/06/1210867406.db2.gz RTLIVKSXEQBHNH-RBSFLKMASA-N 1 2 344.459 2.223 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000951532018 1210867410 /nfs/dbraw/zinc/86/74/10/1210867410.db2.gz RTLIVKSXEQBHNH-RBSFLKMASA-N 1 2 344.459 2.223 20 30 EEEDLO CC(C)c1ccc([C@@H](NC(=O)CO[NH+]=C(N)CCO)C(C)C)cc1 ZINC000193713685 1210950915 /nfs/dbraw/zinc/95/09/15/1210950915.db2.gz FSHJQUKTZNLQBX-SFHVURJKSA-N 1 2 335.448 2.295 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C1 ZINC000953371746 1211784486 /nfs/dbraw/zinc/78/44/86/1211784486.db2.gz BJSWDNXTFFFYQS-CABCVRRESA-N 1 2 344.459 2.004 20 30 EEEDLO C=CC1(CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4nccn4C)C[C@H]32)CCCCC1 ZINC001114965743 1212008284 /nfs/dbraw/zinc/00/82/84/1212008284.db2.gz PZJFDKKYXLOJSR-MNZLEMJZSA-N 1 2 342.487 2.493 20 30 EEEDLO C=CC1(CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4nccn4C)C[C@H]32)CCCCC1 ZINC001114965743 1212008289 /nfs/dbraw/zinc/00/82/89/1212008289.db2.gz PZJFDKKYXLOJSR-MNZLEMJZSA-N 1 2 342.487 2.493 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)CC1 ZINC000955808006 1213345273 /nfs/dbraw/zinc/34/52/73/1213345273.db2.gz JPZZWPOKBOIPSF-HOCLYGCPSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C1CCC(C(=O)N2CC[NH+]([C@@H]3CCN(C(=O)C(C)C)C3)CC2)CC1 ZINC000956603966 1214125852 /nfs/dbraw/zinc/12/58/52/1214125852.db2.gz AQLQCFTZQRQANP-GOSISDBHSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nc3C(F)F)C2)C1 ZINC001015675981 1225538839 /nfs/dbraw/zinc/53/88/39/1225538839.db2.gz GSIWKZIEQQSJDV-ZDUSSCGKSA-N 1 2 338.402 2.405 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nc3C(F)F)C2)C1 ZINC001015675981 1225538844 /nfs/dbraw/zinc/53/88/44/1225538844.db2.gz GSIWKZIEQQSJDV-ZDUSSCGKSA-N 1 2 338.402 2.405 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC[C@H]3CCCOC3)CC2)cc1 ZINC000956952454 1214693026 /nfs/dbraw/zinc/69/30/26/1214693026.db2.gz DBELUYHABFPNGN-LJQANCHMSA-N 1 2 341.455 2.409 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(OC)c(C)c(OC)c2)C1 ZINC000957360457 1215074174 /nfs/dbraw/zinc/07/41/74/1215074174.db2.gz IUGQFXLKCUVHKQ-UHFFFAOYSA-N 1 2 330.428 2.182 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C)n3CCC)C[C@H]21 ZINC001114722429 1215114497 /nfs/dbraw/zinc/11/44/97/1215114497.db2.gz HQJYOOLHGIENRE-KMANFZQXSA-N 1 2 345.491 2.145 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nnc(C)n3CCC)C[C@H]21 ZINC001114722429 1215114498 /nfs/dbraw/zinc/11/44/98/1215114498.db2.gz HQJYOOLHGIENRE-KMANFZQXSA-N 1 2 345.491 2.145 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@H]21 ZINC001114727506 1215119374 /nfs/dbraw/zinc/11/93/74/1215119374.db2.gz VSAOOZAVRGHFIJ-KBEGMRNHSA-N 1 2 331.464 2.008 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@H]21 ZINC001114727506 1215119377 /nfs/dbraw/zinc/11/93/77/1215119377.db2.gz VSAOOZAVRGHFIJ-KBEGMRNHSA-N 1 2 331.464 2.008 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nc(C4CC4)no3)C[C@H]21 ZINC001114749324 1215195709 /nfs/dbraw/zinc/19/57/09/1215195709.db2.gz ZDJXHKSBOXCSHE-YYWXWVFPSA-N 1 2 330.432 2.411 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nc(C4CC4)no3)C[C@H]21 ZINC001114749324 1215195712 /nfs/dbraw/zinc/19/57/12/1215195712.db2.gz ZDJXHKSBOXCSHE-YYWXWVFPSA-N 1 2 330.432 2.411 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cn(C(C)C)nn4)C[C@H]32)CCC1 ZINC001114785499 1215290936 /nfs/dbraw/zinc/29/09/36/1215290936.db2.gz PLCZJMKPQMNBAJ-FVQHAEBGSA-N 1 2 343.475 2.152 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cn(C(C)C)nn4)C[C@H]32)CCC1 ZINC001114785499 1215290941 /nfs/dbraw/zinc/29/09/41/1215290941.db2.gz PLCZJMKPQMNBAJ-FVQHAEBGSA-N 1 2 343.475 2.152 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001012922626 1225628192 /nfs/dbraw/zinc/62/81/92/1225628192.db2.gz KBODEBYKCVEQSS-WMLDXEAASA-N 1 2 344.459 2.194 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001012922626 1225628197 /nfs/dbraw/zinc/62/81/97/1225628197.db2.gz KBODEBYKCVEQSS-WMLDXEAASA-N 1 2 344.459 2.194 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(Cl)s2)C1 ZINC000958645819 1215811880 /nfs/dbraw/zinc/81/18/80/1215811880.db2.gz WSUQTJVXSONWAL-VHSXEESVSA-N 1 2 335.256 2.177 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(Cl)s2)C1 ZINC000958645819 1215811881 /nfs/dbraw/zinc/81/18/81/1215811881.db2.gz WSUQTJVXSONWAL-VHSXEESVSA-N 1 2 335.256 2.177 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C4CC4)no3)C2)s1 ZINC001015775822 1225654220 /nfs/dbraw/zinc/65/42/20/1225654220.db2.gz SZKQSRVSNYBGRT-GFCCVEGCSA-N 1 2 342.424 2.489 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C4CC4)no3)C2)s1 ZINC001015775822 1225654228 /nfs/dbraw/zinc/65/42/28/1225654228.db2.gz SZKQSRVSNYBGRT-GFCCVEGCSA-N 1 2 342.424 2.489 20 30 EEEDLO O=C(N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21)c1cc[nH]c1 ZINC000960050591 1216324336 /nfs/dbraw/zinc/32/43/36/1216324336.db2.gz VVPJDOVGRXUNCV-VQFNDLOPSA-N 1 2 339.826 2.380 20 30 EEEDLO O=C(N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21)c1cc[nH]c1 ZINC000960050591 1216324343 /nfs/dbraw/zinc/32/43/43/1216324343.db2.gz VVPJDOVGRXUNCV-VQFNDLOPSA-N 1 2 339.826 2.380 20 30 EEEDLO C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000960333869 1216500592 /nfs/dbraw/zinc/50/05/92/1216500592.db2.gz BJPZJGQSWILXBN-QZTJIDSGSA-N 1 2 330.391 2.182 20 30 EEEDLO C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc2[nH]nnc2c1 ZINC000960334680 1216501370 /nfs/dbraw/zinc/50/13/70/1216501370.db2.gz LPEGECQQYYWOQF-QZTJIDSGSA-N 1 2 333.395 2.129 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccc3cccnn32)C1 ZINC001015807854 1225695525 /nfs/dbraw/zinc/69/55/25/1225695525.db2.gz KITODGDFYRLPRL-QGZVFWFLSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc3cccnn32)C1 ZINC001015807854 1225695527 /nfs/dbraw/zinc/69/55/27/1225695527.db2.gz KITODGDFYRLPRL-QGZVFWFLSA-N 1 2 345.406 2.210 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(N3CCCC3)nc2)C1 ZINC001015856627 1225751479 /nfs/dbraw/zinc/75/14/79/1225751479.db2.gz WSEQVKAFVMXDDV-OAHLLOKOSA-N 1 2 334.851 2.238 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(N3CCCC3)nc2)C1 ZINC001015856627 1225751483 /nfs/dbraw/zinc/75/14/83/1225751483.db2.gz WSEQVKAFVMXDDV-OAHLLOKOSA-N 1 2 334.851 2.238 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H](C)N(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001013412849 1225811882 /nfs/dbraw/zinc/81/18/82/1225811882.db2.gz NIYODVXFECCZBG-DOTOQJQBSA-N 1 2 344.459 2.125 20 30 EEEDLO CC(C)c1nnc(C[N@H+](C)C[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)s1 ZINC001017071721 1218460847 /nfs/dbraw/zinc/46/08/47/1218460847.db2.gz OXYFSIVUNLLGDF-ZIAGYGMSSA-N 1 2 349.504 2.492 20 30 EEEDLO CC(C)c1nnc(C[N@@H+](C)C[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)s1 ZINC001017071721 1218460850 /nfs/dbraw/zinc/46/08/50/1218460850.db2.gz OXYFSIVUNLLGDF-ZIAGYGMSSA-N 1 2 349.504 2.492 20 30 EEEDLO Cc1ncncc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000965347882 1219032526 /nfs/dbraw/zinc/03/25/26/1219032526.db2.gz NOEXFTDQXLIWQN-KUHUBIRLSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1ncncc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000965347882 1219032531 /nfs/dbraw/zinc/03/25/31/1219032531.db2.gz NOEXFTDQXLIWQN-KUHUBIRLSA-N 1 2 349.438 2.297 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2ccc(C(F)F)n2)C1 ZINC000966628909 1219903048 /nfs/dbraw/zinc/90/30/48/1219903048.db2.gz ACXQUPQGBBJXIZ-GXFFZTMASA-N 1 2 346.809 2.400 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2ccc(C(F)F)n2)C1 ZINC000966628909 1219903052 /nfs/dbraw/zinc/90/30/52/1219903052.db2.gz ACXQUPQGBBJXIZ-GXFFZTMASA-N 1 2 346.809 2.400 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3c([nH]2)CCOC3)C1 ZINC000966635327 1219908303 /nfs/dbraw/zinc/90/83/03/1219908303.db2.gz SELHHLAWDYOJSN-ZBEGNZNMSA-N 1 2 337.851 2.280 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3c([nH]2)CCOC3)C1 ZINC000966635327 1219908306 /nfs/dbraw/zinc/90/83/06/1219908306.db2.gz SELHHLAWDYOJSN-ZBEGNZNMSA-N 1 2 337.851 2.280 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000967064161 1220241456 /nfs/dbraw/zinc/24/14/56/1220241456.db2.gz PYILAPROETYJJG-DNVCBOLYSA-N 1 2 346.475 2.229 20 30 EEEDLO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001016009984 1225953905 /nfs/dbraw/zinc/95/39/05/1225953905.db2.gz WXISUFXIDMRUAO-QGZVFWFLSA-N 1 2 349.438 2.024 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)c(C)s3)C2)nc1 ZINC001016024115 1225968485 /nfs/dbraw/zinc/96/84/85/1225968485.db2.gz OONBVNTXQIBBTK-HNNXBMFYSA-N 1 2 340.452 2.141 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)c(C)s3)C2)nc1 ZINC001016024115 1225968491 /nfs/dbraw/zinc/96/84/91/1225968491.db2.gz OONBVNTXQIBBTK-HNNXBMFYSA-N 1 2 340.452 2.141 20 30 EEEDLO CCC1(Nc2ccc(C#N)nc2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001066831680 1221047985 /nfs/dbraw/zinc/04/79/85/1221047985.db2.gz OAUZLMKWGQXYOU-UHFFFAOYSA-N 1 2 338.415 2.033 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccnc2N(C)C)C1 ZINC000968643570 1221458901 /nfs/dbraw/zinc/45/89/01/1221458901.db2.gz NWPUYABTYVAOLW-DOMZBBRYSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccnc2N(C)C)C1 ZINC000968643570 1221458905 /nfs/dbraw/zinc/45/89/05/1221458905.db2.gz NWPUYABTYVAOLW-DOMZBBRYSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC000968653054 1221465242 /nfs/dbraw/zinc/46/52/42/1221465242.db2.gz YKOLREYUEILYCK-MEBBXXQBSA-N 1 2 347.850 2.459 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC000968653054 1221465245 /nfs/dbraw/zinc/46/52/45/1221465245.db2.gz YKOLREYUEILYCK-MEBBXXQBSA-N 1 2 347.850 2.459 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C(C)C)o2)C1 ZINC000968719472 1221513689 /nfs/dbraw/zinc/51/36/89/1221513689.db2.gz VLIFPGAODKWYHL-OAGGEKHMSA-N 1 2 347.459 2.470 20 30 EEEDLO C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC000969093365 1221802259 /nfs/dbraw/zinc/80/22/59/1221802259.db2.gz LNVXARHEWWKEEE-LSDHHAIUSA-N 1 2 328.460 2.142 20 30 EEEDLO C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC000969093365 1221802264 /nfs/dbraw/zinc/80/22/64/1221802264.db2.gz LNVXARHEWWKEEE-LSDHHAIUSA-N 1 2 328.460 2.142 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)nn1C ZINC001006856594 1221983314 /nfs/dbraw/zinc/98/33/14/1221983314.db2.gz NVNDMPYUIVQJDW-ZDUSSCGKSA-N 1 2 343.456 2.056 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)nn1C ZINC001006856594 1221983316 /nfs/dbraw/zinc/98/33/16/1221983316.db2.gz NVNDMPYUIVQJDW-ZDUSSCGKSA-N 1 2 343.456 2.056 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001007501672 1222263482 /nfs/dbraw/zinc/26/34/82/1222263482.db2.gz BXNVYDYZFNCGGP-MRXNPFEDSA-N 1 2 339.443 2.167 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)ncn2)C1 ZINC001007501672 1222263484 /nfs/dbraw/zinc/26/34/84/1222263484.db2.gz BXNVYDYZFNCGGP-MRXNPFEDSA-N 1 2 339.443 2.167 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccsn3)C2)s1 ZINC001007597528 1222316738 /nfs/dbraw/zinc/31/67/38/1222316738.db2.gz KZKFVFAFYJPWAI-NSHDSACASA-N 1 2 332.454 2.471 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccsn3)C2)s1 ZINC001007597528 1222316742 /nfs/dbraw/zinc/31/67/42/1222316742.db2.gz KZKFVFAFYJPWAI-NSHDSACASA-N 1 2 332.454 2.471 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001008133638 1222640451 /nfs/dbraw/zinc/64/04/51/1222640451.db2.gz YZQQFSQPQFVGIJ-CQSZACIVSA-N 1 2 347.850 2.158 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001008133638 1222640453 /nfs/dbraw/zinc/64/04/53/1222640453.db2.gz YZQQFSQPQFVGIJ-CQSZACIVSA-N 1 2 347.850 2.158 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC001008244142 1222707630 /nfs/dbraw/zinc/70/76/30/1222707630.db2.gz WQKUTXZKFRHVRD-AWEZNQCLSA-N 1 2 342.424 2.115 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2csc(=O)[nH]2)C1 ZINC001008244142 1222707631 /nfs/dbraw/zinc/70/76/31/1222707631.db2.gz WQKUTXZKFRHVRD-AWEZNQCLSA-N 1 2 342.424 2.115 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCCCCC3)C2)C1 ZINC001008437266 1222836330 /nfs/dbraw/zinc/83/63/30/1222836330.db2.gz KJJWLRBRQUWEDG-QGZVFWFLSA-N 1 2 347.503 2.326 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCCCCC3)C2)C1 ZINC001008437266 1222836333 /nfs/dbraw/zinc/83/63/33/1222836333.db2.gz KJJWLRBRQUWEDG-QGZVFWFLSA-N 1 2 347.503 2.326 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cncn3)c2)C1 ZINC001008469346 1222864058 /nfs/dbraw/zinc/86/40/58/1222864058.db2.gz PBESMKMRHKSRKP-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cncn3)c2)C1 ZINC001008469346 1222864061 /nfs/dbraw/zinc/86/40/61/1222864061.db2.gz PBESMKMRHKSRKP-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)O1 ZINC001008593223 1222949508 /nfs/dbraw/zinc/94/95/08/1222949508.db2.gz WSUDXAFAEASVQN-MZMPZRCHSA-N 1 2 345.418 2.345 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)O1 ZINC001008593223 1222949512 /nfs/dbraw/zinc/94/95/12/1222949512.db2.gz WSUDXAFAEASVQN-MZMPZRCHSA-N 1 2 345.418 2.345 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001009061465 1223128133 /nfs/dbraw/zinc/12/81/33/1223128133.db2.gz YVUFNLABDFTYJV-GFCCVEGCSA-N 1 2 330.413 2.311 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001009061465 1223128135 /nfs/dbraw/zinc/12/81/35/1223128135.db2.gz YVUFNLABDFTYJV-GFCCVEGCSA-N 1 2 330.413 2.311 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)cc3F)C2)c1 ZINC001010457584 1223729215 /nfs/dbraw/zinc/72/92/15/1223729215.db2.gz MZVWIQCUSJIEQC-CQSZACIVSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)cc3F)C2)c1 ZINC001010457584 1223729216 /nfs/dbraw/zinc/72/92/16/1223729216.db2.gz MZVWIQCUSJIEQC-CQSZACIVSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)c1 ZINC001010458863 1223729791 /nfs/dbraw/zinc/72/97/91/1223729791.db2.gz USCZYTRPQRTERR-CYBMUJFWSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(F)c3F)C2)c1 ZINC001010458863 1223729792 /nfs/dbraw/zinc/72/97/92/1223729792.db2.gz USCZYTRPQRTERR-CYBMUJFWSA-N 1 2 330.338 2.169 20 30 EEEDLO Cc1nscc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010685654 1223850232 /nfs/dbraw/zinc/85/02/32/1223850232.db2.gz AFWMFYXEERSEEZ-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1nscc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010685654 1223850235 /nfs/dbraw/zinc/85/02/35/1223850235.db2.gz AFWMFYXEERSEEZ-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO CCc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)co1 ZINC001010695482 1223854943 /nfs/dbraw/zinc/85/49/43/1223854943.db2.gz REIVQBVOBBRIGK-CQSZACIVSA-N 1 2 342.374 2.252 20 30 EEEDLO CCc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)co1 ZINC001010695482 1223854945 /nfs/dbraw/zinc/85/49/45/1223854945.db2.gz REIVQBVOBBRIGK-CQSZACIVSA-N 1 2 342.374 2.252 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001010898591 1223961565 /nfs/dbraw/zinc/96/15/65/1223961565.db2.gz TUCKMQBJTNIGHO-GOSISDBHSA-N 1 2 344.459 2.006 20 30 EEEDLO Cc1c[nH]cc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001016244332 1226245431 /nfs/dbraw/zinc/24/54/31/1226245431.db2.gz RQMJFFWKRSQQPM-HNNXBMFYSA-N 1 2 326.375 2.338 20 30 EEEDLO Cc1c[nH]cc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001016244332 1226245433 /nfs/dbraw/zinc/24/54/33/1226245433.db2.gz RQMJFFWKRSQQPM-HNNXBMFYSA-N 1 2 326.375 2.338 20 30 EEEDLO C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1Nc1ccc(C#N)cn1 ZINC001067168481 1226787411 /nfs/dbraw/zinc/78/74/11/1226787411.db2.gz KZVWPMZMDZTNGF-ZFWWWQNUSA-N 1 2 346.394 2.174 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nn(C(C)(C)C)c1C ZINC001017597531 1227559945 /nfs/dbraw/zinc/55/99/45/1227559945.db2.gz WDMGDNAYCVJDJG-IYBDPMFKSA-N 1 2 328.460 2.177 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nn(C(C)(C)C)c1C ZINC001017597531 1227559950 /nfs/dbraw/zinc/55/99/50/1227559950.db2.gz WDMGDNAYCVJDJG-IYBDPMFKSA-N 1 2 328.460 2.177 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(CC)no2)C1 ZINC001018969201 1228590120 /nfs/dbraw/zinc/59/01/20/1228590120.db2.gz RTHYASNACVJODN-KBPBESRZSA-N 1 2 343.431 2.185 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3csnn3)C2)cc1 ZINC001019053999 1228680084 /nfs/dbraw/zinc/68/00/84/1228680084.db2.gz SIAYLWDEUMBIGK-AWEZNQCLSA-N 1 2 344.440 2.107 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccnn2C(F)F)cc1 ZINC001038289523 1229725513 /nfs/dbraw/zinc/72/55/13/1229725513.db2.gz GGSPZBYSFJLARC-AWEZNQCLSA-N 1 2 345.353 2.154 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccnn2C(F)F)cc1 ZINC001038289523 1229725516 /nfs/dbraw/zinc/72/55/16/1229725516.db2.gz GGSPZBYSFJLARC-AWEZNQCLSA-N 1 2 345.353 2.154 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2CC(=O)N2CCCC[C@H]2C)CC1 ZINC001038662355 1229959377 /nfs/dbraw/zinc/95/93/77/1229959377.db2.gz QSEYVXMTLDPLNN-SJLPKXTDSA-N 1 2 347.503 2.324 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC(=O)N2CCCC[C@H]2C)CC1 ZINC001038662355 1229959381 /nfs/dbraw/zinc/95/93/81/1229959381.db2.gz QSEYVXMTLDPLNN-SJLPKXTDSA-N 1 2 347.503 2.324 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001038800119 1230065668 /nfs/dbraw/zinc/06/56/68/1230065668.db2.gz PFNQGZYGYRRWIN-FGTMMUONSA-N 1 2 339.439 2.303 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001038800119 1230065671 /nfs/dbraw/zinc/06/56/71/1230065671.db2.gz PFNQGZYGYRRWIN-FGTMMUONSA-N 1 2 339.439 2.303 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cnc(C)o1 ZINC001038800963 1230066559 /nfs/dbraw/zinc/06/65/59/1230066559.db2.gz WJSOKFRRLBEXDQ-PVAVHDDUSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cnc(C)o1 ZINC001038800963 1230066562 /nfs/dbraw/zinc/06/65/62/1230066562.db2.gz WJSOKFRRLBEXDQ-PVAVHDDUSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1F ZINC001038808645 1230072743 /nfs/dbraw/zinc/07/27/43/1230072743.db2.gz SBJQYNOPZQCPJJ-BQFCYCMXSA-N 1 2 332.419 2.497 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1F ZINC001038808645 1230072748 /nfs/dbraw/zinc/07/27/48/1230072748.db2.gz SBJQYNOPZQCPJJ-BQFCYCMXSA-N 1 2 332.419 2.497 20 30 EEEDLO Cc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)c2cc(C#N)c[nH]2)no1 ZINC001039356174 1230549126 /nfs/dbraw/zinc/54/91/26/1230549126.db2.gz UZWSNYSFQJEUCM-CVEARBPZSA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)c2cc(C#N)c[nH]2)no1 ZINC001039356174 1230549127 /nfs/dbraw/zinc/54/91/27/1230549127.db2.gz UZWSNYSFQJEUCM-CVEARBPZSA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1conc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C#N)c1 ZINC001039365923 1230555841 /nfs/dbraw/zinc/55/58/41/1230555841.db2.gz GANBBQLCBZJDHH-CVEARBPZSA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1conc1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C#N)c1 ZINC001039365923 1230555843 /nfs/dbraw/zinc/55/58/43/1230555843.db2.gz GANBBQLCBZJDHH-CVEARBPZSA-N 1 2 339.399 2.062 20 30 EEEDLO C=CCCC1(C(=O)N(C)CCCN(C)C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001067299240 1230655890 /nfs/dbraw/zinc/65/58/90/1230655890.db2.gz RDNDDLZIPUSDIH-UHFFFAOYSA-N 1 2 346.475 2.396 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001067299736 1230667276 /nfs/dbraw/zinc/66/72/76/1230667276.db2.gz IFLCPXRVPLLGRE-OAHLLOKOSA-N 1 2 334.464 2.252 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@H](C)C(=O)N(C)C)CC1 ZINC001039891089 1230890376 /nfs/dbraw/zinc/89/03/76/1230890376.db2.gz HCLKMLCZNHQQBM-NXHRZFHOSA-N 1 2 347.503 2.275 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@H](C)C(=O)N(C)C)CC1 ZINC001039891089 1230890379 /nfs/dbraw/zinc/89/03/79/1230890379.db2.gz HCLKMLCZNHQQBM-NXHRZFHOSA-N 1 2 347.503 2.275 20 30 EEEDLO Cc1nc(N(C)C[C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001039964167 1230935464 /nfs/dbraw/zinc/93/54/64/1230935464.db2.gz RRWHNMUMNWLWQV-OAHLLOKOSA-N 1 2 338.415 2.116 20 30 EEEDLO C[C@H]1[C@@H](Nc2cccc(F)c2C#N)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001040271975 1231145082 /nfs/dbraw/zinc/14/50/82/1231145082.db2.gz ULJNWRVMQDKGEM-LRDDRELGSA-N 1 2 341.390 2.455 20 30 EEEDLO C[C@H]1[C@@H](Nc2cccc(F)c2C#N)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001040271975 1231145083 /nfs/dbraw/zinc/14/50/83/1231145083.db2.gz ULJNWRVMQDKGEM-LRDDRELGSA-N 1 2 341.390 2.455 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3c[nH]cc4ncnc3-4)C2)C1 ZINC001041301729 1231498776 /nfs/dbraw/zinc/49/87/76/1231498776.db2.gz QBFBIPUDRAPBOD-QGZVFWFLSA-N 1 2 345.834 2.248 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)c3c[nH]cc4ncnc3-4)C2)C1 ZINC001041301729 1231498779 /nfs/dbraw/zinc/49/87/79/1231498779.db2.gz QBFBIPUDRAPBOD-QGZVFWFLSA-N 1 2 345.834 2.248 20 30 EEEDLO Cc1nc(N[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C23CCC3)cc[nH+]1 ZINC001041570846 1231600978 /nfs/dbraw/zinc/60/09/78/1231600978.db2.gz GWZKJZWNKLHUMX-LSDHHAIUSA-N 1 2 336.399 2.138 20 30 EEEDLO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3[nH]nnc3-c3ccccc3)C[C@H]21 ZINC001042368381 1232049943 /nfs/dbraw/zinc/04/99/43/1232049943.db2.gz PXYDMSDHMDNMKR-GDBMZVCRSA-N 1 2 337.427 2.194 20 30 EEEDLO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3[nH]nnc3-c3ccccc3)C[C@H]21 ZINC001042368381 1232049945 /nfs/dbraw/zinc/04/99/45/1232049945.db2.gz PXYDMSDHMDNMKR-GDBMZVCRSA-N 1 2 337.427 2.194 20 30 EEEDLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CN(Cc2cccc(C#N)c2)C1 ZINC001043090923 1232259116 /nfs/dbraw/zinc/25/91/16/1232259116.db2.gz CYUGZGXBQSGTPJ-UHFFFAOYSA-N 1 2 345.406 2.391 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cncs2)c1 ZINC001095987543 1233111638 /nfs/dbraw/zinc/11/16/38/1233111638.db2.gz HALMNSXTOTVXPT-PVAVHDDUSA-N 1 2 338.436 2.055 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cncs2)c1 ZINC001095987543 1233111642 /nfs/dbraw/zinc/11/16/42/1233111642.db2.gz HALMNSXTOTVXPT-PVAVHDDUSA-N 1 2 338.436 2.055 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2CO[C@@H](C)C2)CC1 ZINC001045490577 1233776522 /nfs/dbraw/zinc/77/65/22/1233776522.db2.gz RHYYJXLJEGDRQU-STQMWFEESA-N 1 2 345.281 2.291 20 30 EEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000800342914 1234059231 /nfs/dbraw/zinc/05/92/31/1234059231.db2.gz YXUFARAEJGXTRX-OCCSQVGLSA-N 1 2 326.437 2.339 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046175990 1234517626 /nfs/dbraw/zinc/51/76/26/1234517626.db2.gz BKKJRJHCJIZEDV-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046175990 1234517631 /nfs/dbraw/zinc/51/76/31/1234517631.db2.gz BKKJRJHCJIZEDV-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001046327938 1234671963 /nfs/dbraw/zinc/67/19/63/1234671963.db2.gz SLCMBTHIUWSECT-HHXXYDBFSA-N 1 2 347.459 2.353 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001046327938 1234671965 /nfs/dbraw/zinc/67/19/65/1234671965.db2.gz SLCMBTHIUWSECT-HHXXYDBFSA-N 1 2 347.459 2.353 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC001046374386 1234723705 /nfs/dbraw/zinc/72/37/05/1234723705.db2.gz NWOSVXJBPBJWKH-DNVCBOLYSA-N 1 2 339.443 2.420 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@H+]([C@H](C)c2ncccn2)C1 ZINC001046374386 1234723710 /nfs/dbraw/zinc/72/37/10/1234723710.db2.gz NWOSVXJBPBJWKH-DNVCBOLYSA-N 1 2 339.443 2.420 20 30 EEEDLO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2nccn21 ZINC001413205466 1234743266 /nfs/dbraw/zinc/74/32/66/1234743266.db2.gz MZAHTTFSXYXOIT-XYPHTWIQSA-N 1 2 335.411 2.151 20 30 EEEDLO C#CCC1(C(=O)N(C)C2CCN(c3cc[nH+]c(C)n3)CC2)CCC1 ZINC001096117769 1235034135 /nfs/dbraw/zinc/03/41/35/1235034135.db2.gz NXPFLCACIVFPFV-UHFFFAOYSA-N 1 2 326.444 2.406 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@@H](C2CC[NH+](Cc3nncs3)CC2)C1 ZINC001047226897 1235699581 /nfs/dbraw/zinc/69/95/81/1235699581.db2.gz AHVGQIJFDHHHNU-UKRRQHHQSA-N 1 2 347.488 2.148 20 30 EEEDLO CNS(=O)(=O)c1ccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)cc1 ZINC000901430936 1235785845 /nfs/dbraw/zinc/78/58/45/1235785845.db2.gz ORWOOIXAUMOGLS-TWGQIWQCSA-N 1 2 333.413 2.268 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096176403 1235812032 /nfs/dbraw/zinc/81/20/32/1235812032.db2.gz CCAXZDSVAROUNF-HNAYVOBHSA-N 1 2 344.459 2.075 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001047555385 1236194114 /nfs/dbraw/zinc/19/41/14/1236194114.db2.gz JMXCCJSNWNTGHF-JYJNAYRXSA-N 1 2 344.459 2.113 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096346230 1237504638 /nfs/dbraw/zinc/50/46/38/1237504638.db2.gz QFVPGCHNIIVGOZ-MRXNPFEDSA-N 1 2 344.459 2.340 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]21 ZINC001056713984 1239710909 /nfs/dbraw/zinc/71/09/09/1239710909.db2.gz XCUMFHDIZHONTO-DOTOQJQBSA-N 1 2 344.459 2.066 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)c1 ZINC001056774664 1239777907 /nfs/dbraw/zinc/77/79/07/1239777907.db2.gz 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NLPCNBFBNXEHRM-QGZVFWFLSA-N 1 2 345.874 2.114 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(C(C)C)cn3)C2)CC1 ZINC001052081692 1246459485 /nfs/dbraw/zinc/45/94/85/1246459485.db2.gz FHWARLKHTVAIDR-SFHVURJKSA-N 1 2 342.487 2.223 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)C3(CF)CCC3)C2)CC1 ZINC001052086435 1246465317 /nfs/dbraw/zinc/46/53/17/1246465317.db2.gz ADTUEEJQSBDABJ-OAHLLOKOSA-N 1 2 343.874 2.097 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)CC3CCCC3)C2)CC1 ZINC001052094839 1246475213 /nfs/dbraw/zinc/47/52/13/1246475213.db2.gz ZTUKIYDOMZUECR-HKUYNNGSSA-N 1 2 331.504 2.055 20 30 EEEDLO CCC1(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)CCCCC1 ZINC001052119008 1246503634 /nfs/dbraw/zinc/50/36/34/1246503634.db2.gz GPHOYOYJUNYNDB-KRWDZBQOSA-N 1 2 332.492 2.089 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C(C)C)s3)C2)CC1 ZINC001052123694 1246511534 /nfs/dbraw/zinc/51/15/34/1246511534.db2.gz NBBRROWUKIEGBR-INIZCTEOSA-N 1 2 345.512 2.337 20 30 EEEDLO 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1246903575 /nfs/dbraw/zinc/90/35/75/1246903575.db2.gz BDRASAFQSDMYNO-HRCADAONSA-N 1 2 332.469 2.387 20 30 EEEDLO C=CCOc1ccc(C(=O)N[C@@H]2COC3(C[NH+](CCCF)C3)C2)cc1 ZINC001053851521 1246908868 /nfs/dbraw/zinc/90/88/68/1246908868.db2.gz UFRHHECTMAVAJR-INIZCTEOSA-N 1 2 348.418 2.184 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3[nH]nc(C)c3c1)CO2 ZINC001053867638 1246937931 /nfs/dbraw/zinc/93/79/31/1246937931.db2.gz OJFARKJRYAHISK-OAHLLOKOSA-N 1 2 340.427 2.021 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1cccc(C(F)F)c1)CO2 ZINC001053868870 1246942233 /nfs/dbraw/zinc/94/22/33/1246942233.db2.gz XKGSZCLKKKANRA-MRXNPFEDSA-N 1 2 348.393 2.150 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(F)c(F)cc1F)CO2 ZINC001053908143 1246997405 /nfs/dbraw/zinc/99/74/05/1246997405.db2.gz LHTKIBDBMSJTAU-LLVKDONJSA-N 1 2 340.345 2.253 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)cc1)CO2 ZINC001053915768 1247010008 /nfs/dbraw/zinc/01/00/08/1247010008.db2.gz 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1304536954 /nfs/dbraw/zinc/53/69/54/1304536954.db2.gz KHCGKBLQBJWTQZ-OAHLLOKOSA-N 1 2 339.455 2.207 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233622446 1304536958 /nfs/dbraw/zinc/53/69/58/1304536958.db2.gz KHCGKBLQBJWTQZ-OAHLLOKOSA-N 1 2 339.455 2.207 20 30 EEEDLO CC[C@H](C)OCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001233715669 1304567329 /nfs/dbraw/zinc/56/73/29/1304567329.db2.gz LVSBIJKILCWIQO-HKUYNNGSSA-N 1 2 328.456 2.386 20 30 EEEDLO CC[C@H](C)OCC(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001233715669 1304567336 /nfs/dbraw/zinc/56/73/36/1304567336.db2.gz LVSBIJKILCWIQO-HKUYNNGSSA-N 1 2 328.456 2.386 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccnc(OC)c1 ZINC001233761799 1304582182 /nfs/dbraw/zinc/58/21/82/1304582182.db2.gz MVOQHFAMWBUNIJ-QGZVFWFLSA-N 1 2 329.444 2.317 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccnc(OC)c1 ZINC001233761799 1304582188 /nfs/dbraw/zinc/58/21/88/1304582188.db2.gz MVOQHFAMWBUNIJ-QGZVFWFLSA-N 1 2 329.444 2.317 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC(CC)CC ZINC001233802705 1304599714 /nfs/dbraw/zinc/59/97/14/1304599714.db2.gz ZGCFHWXTKRELLM-WMZOPIPTSA-N 1 2 349.519 2.406 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC(CC)CC ZINC001233802705 1304599716 /nfs/dbraw/zinc/59/97/16/1304599716.db2.gz ZGCFHWXTKRELLM-WMZOPIPTSA-N 1 2 349.519 2.406 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCCNc1cc[nH+]c(C)n1 ZINC001115097990 1304677367 /nfs/dbraw/zinc/67/73/67/1304677367.db2.gz VXOLPIKARQNYBN-QRTARXTBSA-N 1 2 332.448 2.463 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)CC1(O)CCC1 ZINC001234141164 1304764376 /nfs/dbraw/zinc/76/43/76/1304764376.db2.gz ODGQIKBUFUCGFC-SFHVURJKSA-N 1 2 344.430 2.015 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)CC1(O)CCC1 ZINC001234141164 1304764381 /nfs/dbraw/zinc/76/43/81/1304764381.db2.gz ODGQIKBUFUCGFC-SFHVURJKSA-N 1 2 344.430 2.015 20 30 EEEDLO C[N@@H+]1CC[C@@H](Oc2cc(F)c(C#N)cc2I)C1 ZINC001234389065 1304906093 /nfs/dbraw/zinc/90/60/93/1304906093.db2.gz NGERTNVUBWVYGZ-SECBINFHSA-N 1 2 346.143 2.385 20 30 EEEDLO C[N@H+]1CC[C@@H](Oc2cc(F)c(C#N)cc2I)C1 ZINC001234389065 1304906096 /nfs/dbraw/zinc/90/60/96/1304906096.db2.gz NGERTNVUBWVYGZ-SECBINFHSA-N 1 2 346.143 2.385 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1c(C)nnn1CC ZINC001234537778 1304957425 /nfs/dbraw/zinc/95/74/25/1304957425.db2.gz QTBSCWNQNVBHGV-HNNXBMFYSA-N 1 2 333.480 2.241 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1c(C)nnn1CC ZINC001234537778 1304957427 /nfs/dbraw/zinc/95/74/27/1304957427.db2.gz QTBSCWNQNVBHGV-HNNXBMFYSA-N 1 2 333.480 2.241 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2cnc(C)nc2)CCC1 ZINC001235210183 1305150019 /nfs/dbraw/zinc/15/00/19/1305150019.db2.gz QMVBZCVOMXZQTP-QGZVFWFLSA-N 1 2 326.444 2.011 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2cnc(C)nc2)CCC1 ZINC001235210183 1305150022 /nfs/dbraw/zinc/15/00/22/1305150022.db2.gz QMVBZCVOMXZQTP-QGZVFWFLSA-N 1 2 326.444 2.011 20 30 EEEDLO Cc1ncc(CC(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2ccccc2)o1 ZINC001235322757 1305190126 /nfs/dbraw/zinc/19/01/26/1305190126.db2.gz ZAVMXBJOQBGNOT-GOSISDBHSA-N 1 2 337.423 2.110 20 30 EEEDLO Cc1ncc(CC(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2ccccc2)o1 ZINC001235322757 1305190129 /nfs/dbraw/zinc/19/01/29/1305190129.db2.gz ZAVMXBJOQBGNOT-GOSISDBHSA-N 1 2 337.423 2.110 20 30 EEEDLO N#CCC[N@@H+]1CCC[C@@]2(CN(Cc3nc4ccccc4[nH]3)CCO2)C1 ZINC001277939124 1305201500 /nfs/dbraw/zinc/20/15/00/1305201500.db2.gz NGNAYRATWLIGQJ-IBGZPJMESA-N 1 2 339.443 2.143 20 30 EEEDLO N#CCC[N@H+]1CCC[C@@]2(CN(Cc3nc4ccccc4[nH]3)CCO2)C1 ZINC001277939124 1305201504 /nfs/dbraw/zinc/20/15/04/1305201504.db2.gz NGNAYRATWLIGQJ-IBGZPJMESA-N 1 2 339.443 2.143 20 30 EEEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1nncn1-c1ccccc1 ZINC001235451122 1305236299 /nfs/dbraw/zinc/23/62/99/1305236299.db2.gz CZBDBIIEBOBJQR-UHFFFAOYSA-N 1 2 327.432 2.172 20 30 EEEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1nncn1-c1ccccc1 ZINC001235451122 1305236304 /nfs/dbraw/zinc/23/63/04/1305236304.db2.gz CZBDBIIEBOBJQR-UHFFFAOYSA-N 1 2 327.432 2.172 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C2CC2)CC1 ZINC001235684854 1305329588 /nfs/dbraw/zinc/32/95/88/1305329588.db2.gz LSOVBCLKMWJLFO-QGZVFWFLSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C2CC2)CC1 ZINC001235684854 1305329595 /nfs/dbraw/zinc/32/95/95/1305329595.db2.gz LSOVBCLKMWJLFO-QGZVFWFLSA-N 1 2 347.503 2.134 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)c(F)cc1F ZINC001235698344 1305337868 /nfs/dbraw/zinc/33/78/68/1305337868.db2.gz BLADAWRLHZDSRI-CQSZACIVSA-N 1 2 336.382 2.069 20 30 EEEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)c(F)cc1F ZINC001235698344 1305337879 /nfs/dbraw/zinc/33/78/79/1305337879.db2.gz BLADAWRLHZDSRI-CQSZACIVSA-N 1 2 336.382 2.069 20 30 EEEDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cn2cc(C#N)ccc2n1 ZINC001237609836 1306001758 /nfs/dbraw/zinc/00/17/58/1306001758.db2.gz XQCDOSOXQDIGTA-UHFFFAOYSA-N 1 2 329.404 2.162 20 30 EEEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cn2cc(C#N)ccc2n1 ZINC001237609836 1306001771 /nfs/dbraw/zinc/00/17/71/1306001771.db2.gz XQCDOSOXQDIGTA-UHFFFAOYSA-N 1 2 329.404 2.162 20 30 EEEDLO Cc1ccc(C#N)c(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC001117229481 1306011015 /nfs/dbraw/zinc/01/10/15/1306011015.db2.gz YTYRFDXTZFYENO-UHFFFAOYSA-N 1 2 337.383 2.492 20 30 EEEDLO CCC[C@H](C)C[N@@H+]1CCc2c(n[nH]c2C(=O)NC2(C#N)CCC2)C1 ZINC001278145873 1306093360 /nfs/dbraw/zinc/09/33/60/1306093360.db2.gz JPQWPSBXUFXHAS-ZDUSSCGKSA-N 1 2 329.448 2.380 20 30 EEEDLO CCC[C@H](C)C[N@H+]1CCc2c(n[nH]c2C(=O)NC2(C#N)CCC2)C1 ZINC001278145873 1306093371 /nfs/dbraw/zinc/09/33/71/1306093371.db2.gz JPQWPSBXUFXHAS-ZDUSSCGKSA-N 1 2 329.448 2.380 20 30 EEEDLO C=CCCn1cc(C[NH2+]C[C@H]2CC(c3ccc(C)cc3)=NO2)nn1 ZINC001119450756 1309075870 /nfs/dbraw/zinc/07/58/70/1309075870.db2.gz NJGYKJNGXASNRQ-QGZVFWFLSA-N 1 2 325.416 2.445 20 30 EEEDLO Cc1nc(N[C@@H](C)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccc1C#N ZINC001120879145 1309810944 /nfs/dbraw/zinc/81/09/44/1309810944.db2.gz UDEQCPGDRNTAQH-NILFDRSVSA-N 1 2 338.415 2.047 20 30 EEEDLO Cc1nc(N[C@@H](C)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccc1C#N ZINC001120879145 1309810953 /nfs/dbraw/zinc/81/09/53/1309810953.db2.gz UDEQCPGDRNTAQH-NILFDRSVSA-N 1 2 338.415 2.047 20 30 EEEDLO N#Cc1cc(-c2ccc(OCC[NH+]3CCOCC3)cc2F)ccn1 ZINC001244135304 1309912925 /nfs/dbraw/zinc/91/29/25/1309912925.db2.gz KPXLUPMKVBYJFG-UHFFFAOYSA-N 1 2 327.359 2.470 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](COC)C1 ZINC001121612780 1310070153 /nfs/dbraw/zinc/07/01/53/1310070153.db2.gz PFENTZONBOCRKS-HZPDHXFCSA-N 1 2 333.480 2.484 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](COC)C1 ZINC001121612780 1310070160 /nfs/dbraw/zinc/07/01/60/1310070160.db2.gz PFENTZONBOCRKS-HZPDHXFCSA-N 1 2 333.480 2.484 20 30 EEEDLO C=CCCCCCN(C)c1nnc(C[N@@H+]2CCC[C@@H](O)C2)n1CC ZINC001121851938 1310155265 /nfs/dbraw/zinc/15/52/65/1310155265.db2.gz KKRJZTVTOCZINL-MRXNPFEDSA-N 1 2 335.496 2.437 20 30 EEEDLO C=CCCCCCN(C)c1nnc(C[N@H+]2CCC[C@@H](O)C2)n1CC ZINC001121851938 1310155276 /nfs/dbraw/zinc/15/52/76/1310155276.db2.gz KKRJZTVTOCZINL-MRXNPFEDSA-N 1 2 335.496 2.437 20 30 EEEDLO CCc1nc(N2CC[C@@]3(NC(=O)C#CC4CC4)CCC[C@@H]23)cc(C)[nH+]1 ZINC001123413754 1310555589 /nfs/dbraw/zinc/55/55/89/1310555589.db2.gz RSOMVHBJDJHKBZ-UZLBHIALSA-N 1 2 338.455 2.378 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001123598021 1310632918 /nfs/dbraw/zinc/63/29/18/1310632918.db2.gz UICMJGZCULXFNI-WBVHZDCISA-N 1 2 346.475 2.468 20 30 EEEDLO C#CC[NH+]1CCN(Cc2nc3cccc(Br)c3o2)CC1 ZINC001248851680 1310954708 /nfs/dbraw/zinc/95/47/08/1310954708.db2.gz WKWOQQNJPBXFGV-UHFFFAOYSA-N 1 2 334.217 2.341 20 30 EEEDLO C#CCOc1cc(F)ccc1NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000841653966 1315591163 /nfs/dbraw/zinc/59/11/63/1315591163.db2.gz QZVUZZKKJUXWCO-UHFFFAOYSA-N 1 2 349.406 2.070 20 30 EEEDLO C/C=C(/C)C(=O)NC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001149505196 1315979416 /nfs/dbraw/zinc/97/94/16/1315979416.db2.gz OIJOTHRJADWGIU-MFWALYKBSA-N 1 2 345.418 2.371 20 30 EEEDLO C/C=C(/C)C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001149505196 1315979418 /nfs/dbraw/zinc/97/94/18/1315979418.db2.gz OIJOTHRJADWGIU-MFWALYKBSA-N 1 2 345.418 2.371 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CCc2ccoc2)C1 ZINC001149520312 1315982043 /nfs/dbraw/zinc/98/20/43/1315982043.db2.gz FCPIVIZPGROWPF-OAHLLOKOSA-N 1 2 326.824 2.172 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CCc2ccoc2)C1 ZINC001149520312 1315982044 /nfs/dbraw/zinc/98/20/44/1315982044.db2.gz FCPIVIZPGROWPF-OAHLLOKOSA-N 1 2 326.824 2.172 20 30 EEEDLO CC1(C(=O)NC[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)CCCO2)CC1 ZINC001149746421 1316034841 /nfs/dbraw/zinc/03/48/41/1316034841.db2.gz QPAJCSSZCNFBCX-INIZCTEOSA-N 1 2 345.418 2.205 20 30 EEEDLO CC1(C(=O)NC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)CCCO2)CC1 ZINC001149746421 1316034847 /nfs/dbraw/zinc/03/48/47/1316034847.db2.gz QPAJCSSZCNFBCX-INIZCTEOSA-N 1 2 345.418 2.205 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2ncc(C)o2)CCCO1 ZINC001150084261 1316149209 /nfs/dbraw/zinc/14/92/09/1316149209.db2.gz AERGHBZRQRRXEZ-LSDHHAIUSA-N 1 2 335.448 2.463 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2ncc(C)o2)CCCO1 ZINC001150084261 1316149215 /nfs/dbraw/zinc/14/92/15/1316149215.db2.gz AERGHBZRQRRXEZ-LSDHHAIUSA-N 1 2 335.448 2.463 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1C[N@H+](Cc2cncc(F)c2)CCCO1 ZINC001150223987 1316206349 /nfs/dbraw/zinc/20/63/49/1316206349.db2.gz GUVQAILFTUDBGR-KRWDZBQOSA-N 1 2 335.423 2.284 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1C[N@@H+](Cc2cncc(F)c2)CCCO1 ZINC001150223987 1316206361 /nfs/dbraw/zinc/20/63/61/1316206361.db2.gz GUVQAILFTUDBGR-KRWDZBQOSA-N 1 2 335.423 2.284 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)CCOC)C1 ZINC001150533647 1316290981 /nfs/dbraw/zinc/29/09/81/1316290981.db2.gz GMSKKBRIKXEQDT-CQSZACIVSA-N 1 2 332.872 2.009 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)CCOC)C1 ZINC001150533647 1316290987 /nfs/dbraw/zinc/29/09/87/1316290987.db2.gz GMSKKBRIKXEQDT-CQSZACIVSA-N 1 2 332.872 2.009 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@](C)(O)C1CC1 ZINC001152821237 1316728794 /nfs/dbraw/zinc/72/87/94/1316728794.db2.gz UTZOYJYHKZCCRP-DOMZBBRYSA-N 1 2 347.297 2.273 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)C[C@](C)(O)C1CC1 ZINC001152821237 1316728797 /nfs/dbraw/zinc/72/87/97/1316728797.db2.gz UTZOYJYHKZCCRP-DOMZBBRYSA-N 1 2 347.297 2.273 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1csc(C2CC2)n1 ZINC001153326979 1316811503 /nfs/dbraw/zinc/81/15/03/1316811503.db2.gz IDJLMSILCRQFKQ-KGLIPLIRSA-N 1 2 349.500 2.385 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1csc(C2CC2)n1 ZINC001153326979 1316811506 /nfs/dbraw/zinc/81/15/06/1316811506.db2.gz IDJLMSILCRQFKQ-KGLIPLIRSA-N 1 2 349.500 2.385 20 30 EEEDLO CCOC(=O)c1cnc2n1CC[N@@H+](Cc1cccc(C#N)c1F)CC2 ZINC001249691079 1317153439 /nfs/dbraw/zinc/15/34/39/1317153439.db2.gz BAOXFFSUXNPJRU-UHFFFAOYSA-N 1 2 342.374 2.129 20 30 EEEDLO CCOC(=O)c1cnc2n1CC[N@H+](Cc1cccc(C#N)c1F)CC2 ZINC001249691079 1317153444 /nfs/dbraw/zinc/15/34/44/1317153444.db2.gz BAOXFFSUXNPJRU-UHFFFAOYSA-N 1 2 342.374 2.129 20 30 EEEDLO CCOC(=O)C1(C#N)CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC001253361051 1317831762 /nfs/dbraw/zinc/83/17/62/1317831762.db2.gz OEDJMGJLWBKMDW-HNNXBMFYSA-N 1 2 338.354 2.167 20 30 EEEDLO C=C[C@H](C(=O)NC[C@@H](C)[N@H+](CC)Cc1cn(C)nn1)c1ccccc1 ZINC001157046696 1318366392 /nfs/dbraw/zinc/36/63/92/1318366392.db2.gz CRQYROUAZFMNEQ-QAPCUYQASA-N 1 2 341.459 2.112 20 30 EEEDLO C=C[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cn(C)nn1)c1ccccc1 ZINC001157046696 1318366400 /nfs/dbraw/zinc/36/64/00/1318366400.db2.gz CRQYROUAZFMNEQ-QAPCUYQASA-N 1 2 341.459 2.112 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1noc2c1CCCC2 ZINC001157213879 1318492822 /nfs/dbraw/zinc/49/28/22/1318492822.db2.gz VDMPNNPWDVBVCD-CABCVRRESA-N 1 2 349.475 2.471 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1noc2c1CCCC2 ZINC001157213879 1318492833 /nfs/dbraw/zinc/49/28/33/1318492833.db2.gz VDMPNNPWDVBVCD-CABCVRRESA-N 1 2 349.475 2.471 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001157217073 1318495609 /nfs/dbraw/zinc/49/56/09/1318495609.db2.gz GVDMHGQFPVTGDD-HUUCEWRRSA-N 1 2 349.475 2.471 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc2c(o1)CCCC2 ZINC001157217073 1318495617 /nfs/dbraw/zinc/49/56/17/1318495617.db2.gz GVDMHGQFPVTGDD-HUUCEWRRSA-N 1 2 349.475 2.471 20 30 EEEDLO C=C[C@H]1C[C@]1([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC ZINC001256287035 1318701984 /nfs/dbraw/zinc/70/19/84/1318701984.db2.gz LEVGUGJVKOGZGK-SCLBCKFNSA-N 1 2 338.448 2.483 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2nc3ccc(F)cc3o2)C[C@H]1C ZINC001206662709 1318873014 /nfs/dbraw/zinc/87/30/14/1318873014.db2.gz RNOLVUPSLNUOAS-JTNHKYCSSA-N 1 2 330.363 2.063 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2nc3ccc(F)cc3o2)C[C@H]1C ZINC001206662709 1318873026 /nfs/dbraw/zinc/87/30/26/1318873026.db2.gz RNOLVUPSLNUOAS-JTNHKYCSSA-N 1 2 330.363 2.063 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cn(CC)nn1 ZINC001158419436 1319228117 /nfs/dbraw/zinc/22/81/17/1319228117.db2.gz PLUVRDZLBGRYEN-QGZVFWFLSA-N 1 2 333.480 2.467 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cn(CC)nn1 ZINC001158419436 1319228125 /nfs/dbraw/zinc/22/81/25/1319228125.db2.gz PLUVRDZLBGRYEN-QGZVFWFLSA-N 1 2 333.480 2.467 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NCCC[NH2+]Cc1noc(CCC)n1 ZINC001158857621 1319473374 /nfs/dbraw/zinc/47/33/74/1319473374.db2.gz SWZVSCUUUBLCCG-UHFFFAOYSA-N 1 2 328.844 2.397 20 30 EEEDLO CC(C)C#CC(=O)NCCC1=CC[N@@H+]([C@H](C)c2ncccn2)CC1 ZINC001160055003 1320058796 /nfs/dbraw/zinc/05/87/96/1320058796.db2.gz QFVZOHLMRGJEAB-MRXNPFEDSA-N 1 2 326.444 2.335 20 30 EEEDLO CC(C)C#CC(=O)NCCC1=CC[N@H+]([C@H](C)c2ncccn2)CC1 ZINC001160055003 1320058798 /nfs/dbraw/zinc/05/87/98/1320058798.db2.gz QFVZOHLMRGJEAB-MRXNPFEDSA-N 1 2 326.444 2.335 20 30 EEEDLO CCn1ccnc1C[N@H+]1CC=C(CCNC(=O)C#CC(C)C)CC1 ZINC001160055213 1320059452 /nfs/dbraw/zinc/05/94/52/1320059452.db2.gz UTRIZHAVJYYOOK-UHFFFAOYSA-N 1 2 328.460 2.201 20 30 EEEDLO CCn1ccnc1C[N@@H+]1CC=C(CCNC(=O)C#CC(C)C)CC1 ZINC001160055213 1320059455 /nfs/dbraw/zinc/05/94/55/1320059455.db2.gz UTRIZHAVJYYOOK-UHFFFAOYSA-N 1 2 328.460 2.201 20 30 EEEDLO C#CCO[C@H](C)C(=O)NCCC1=CC[N@@H+](C/C(Cl)=C\Cl)CC1 ZINC001160131274 1320078562 /nfs/dbraw/zinc/07/85/62/1320078562.db2.gz JSKQANIRKQYLKL-WDGDVPDHSA-N 1 2 345.270 2.482 20 30 EEEDLO C#CCO[C@H](C)C(=O)NCCC1=CC[N@H+](C/C(Cl)=C\Cl)CC1 ZINC001160131274 1320078557 /nfs/dbraw/zinc/07/85/57/1320078557.db2.gz JSKQANIRKQYLKL-WDGDVPDHSA-N 1 2 345.270 2.482 20 30 EEEDLO C=CCOc1ccccc1C(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001161163408 1320406683 /nfs/dbraw/zinc/40/66/83/1320406683.db2.gz XKQJMFSGWCWSMH-UHFFFAOYSA-N 1 2 344.415 2.107 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC001161656737 1320575167 /nfs/dbraw/zinc/57/51/67/1320575167.db2.gz XUSGYWQSRTVZHY-OAHLLOKOSA-N 1 2 348.878 2.406 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC001161656737 1320575171 /nfs/dbraw/zinc/57/51/71/1320575171.db2.gz XUSGYWQSRTVZHY-OAHLLOKOSA-N 1 2 348.878 2.406 20 30 EEEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1cc(C#C[Si](C)(C)C)ccn1 ZINC001162855805 1320975546 /nfs/dbraw/zinc/97/55/46/1320975546.db2.gz OLICRDBSRSNVAN-AWEZNQCLSA-N 1 2 333.508 2.391 20 30 EEEDLO C=CCOC(=O)N1CCC2(CN(c3cc(CC#N)cc[nH+]3)C2)CC1 ZINC001163865049 1321234961 /nfs/dbraw/zinc/23/49/61/1321234961.db2.gz BAEICCOHIFCRSO-UHFFFAOYSA-N 1 2 326.400 2.372 20 30 EEEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc(OC)c(O)c1)CC2 ZINC001203868365 1321978933 /nfs/dbraw/zinc/97/89/33/1321978933.db2.gz RUZLLNZZVUQWTO-UHFFFAOYSA-N 1 2 343.427 2.395 20 30 EEEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc(OC)c(O)c1)CC2 ZINC001203868365 1321978935 /nfs/dbraw/zinc/97/89/35/1321978935.db2.gz RUZLLNZZVUQWTO-UHFFFAOYSA-N 1 2 343.427 2.395 20 30 EEEDLO C=C(C)CCC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001205145050 1322297101 /nfs/dbraw/zinc/29/71/01/1322297101.db2.gz UALKJVDEAJWOAG-QZTJIDSGSA-N 1 2 334.435 2.386 20 30 EEEDLO C=C(C)CCC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001205145050 1322297105 /nfs/dbraw/zinc/29/71/05/1322297105.db2.gz UALKJVDEAJWOAG-QZTJIDSGSA-N 1 2 334.435 2.386 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@@H](CC)OCC)n2CC(=C)C)CC1 ZINC001263318994 1322460025 /nfs/dbraw/zinc/46/00/25/1322460025.db2.gz BIEVFPBWSRLCED-MRXNPFEDSA-N 1 2 331.464 2.097 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001266216706 1323785923 /nfs/dbraw/zinc/78/59/23/1323785923.db2.gz UWIDIUFFPQCPMD-MAUKXSAKSA-N 1 2 338.398 2.373 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001266216706 1323785930 /nfs/dbraw/zinc/78/59/30/1323785930.db2.gz UWIDIUFFPQCPMD-MAUKXSAKSA-N 1 2 338.398 2.373 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@@H](C)c2ccco2)C[C@H]1C ZINC001207216385 1323907226 /nfs/dbraw/zinc/90/72/26/1323907226.db2.gz YYXVPRDMXDZCJN-OWCLPIDISA-N 1 2 347.459 2.250 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)c2ccco2)C[C@H]1C ZINC001207216385 1323907227 /nfs/dbraw/zinc/90/72/27/1323907227.db2.gz YYXVPRDMXDZCJN-OWCLPIDISA-N 1 2 347.459 2.250 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC3(CN(C(=O)Nc4cccnc4)C3)C2)c(O)c1 ZINC001279497481 1323916978 /nfs/dbraw/zinc/91/69/78/1323916978.db2.gz GUYISCCELCGNAM-UHFFFAOYSA-N 1 2 349.394 2.009 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(NC(C)=O)CCCCC2)C1 ZINC001207736720 1324117845 /nfs/dbraw/zinc/11/78/45/1324117845.db2.gz ZSCBMOWEAYJAHW-IUODEOHRSA-N 1 2 341.883 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(NC(C)=O)CCCCC2)C1 ZINC001207736720 1324117851 /nfs/dbraw/zinc/11/78/51/1324117851.db2.gz ZSCBMOWEAYJAHW-IUODEOHRSA-N 1 2 341.883 2.014 20 30 EEEDLO C#CCCCCC(=O)N1CCC[C@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001207859437 1324182984 /nfs/dbraw/zinc/18/29/84/1324182984.db2.gz AARWWKNQFOYZLK-LBPRGKRZSA-N 1 2 340.374 2.281 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(OC)nn3)C[C@H]2C)CCC1 ZINC001208498104 1324527342 /nfs/dbraw/zinc/52/73/42/1324527342.db2.gz KQYYNQPRMDKRCY-GDBMZVCRSA-N 1 2 344.459 2.168 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OC)nn3)C[C@H]2C)CCC1 ZINC001208498104 1324527358 /nfs/dbraw/zinc/52/73/58/1324527358.db2.gz KQYYNQPRMDKRCY-GDBMZVCRSA-N 1 2 344.459 2.168 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)OC)C1 ZINC001208537146 1324548702 /nfs/dbraw/zinc/54/87/02/1324548702.db2.gz VAVXLIIRUUBGQJ-MRVWCRGKSA-N 1 2 347.297 2.393 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)OC)C1 ZINC001208537146 1324548704 /nfs/dbraw/zinc/54/87/04/1324548704.db2.gz VAVXLIIRUUBGQJ-MRVWCRGKSA-N 1 2 347.297 2.393 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001316608839 1324817602 /nfs/dbraw/zinc/81/76/02/1324817602.db2.gz ZORVDNDSFLZECE-BRWVUGGUSA-N 1 2 335.492 2.038 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001316608839 1324817607 /nfs/dbraw/zinc/81/76/07/1324817607.db2.gz ZORVDNDSFLZECE-BRWVUGGUSA-N 1 2 335.492 2.038 20 30 EEEDLO C=CCn1c([C@H]2C[C@@H]2C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001338931366 1336933689 /nfs/dbraw/zinc/93/36/89/1336933689.db2.gz QEXHNVUQHOXHPI-BBRMVZONSA-N 1 2 342.447 2.206 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](COCC)C1 ZINC001340389049 1337174504 /nfs/dbraw/zinc/17/45/04/1337174504.db2.gz AKAOQFHHYPIQCR-HZPDHXFCSA-N 1 2 333.480 2.484 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](COCC)C1 ZINC001340389049 1337174506 /nfs/dbraw/zinc/17/45/06/1337174506.db2.gz AKAOQFHHYPIQCR-HZPDHXFCSA-N 1 2 333.480 2.484 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-c3c[nH]nn3)cc2)C1 ZINC001575054648 1343725010 /nfs/dbraw/zinc/72/50/10/1343725010.db2.gz VWARULXNQAENHU-QGZVFWFLSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-c3c[nH]nn3)cc2)C1 ZINC001575054648 1343725014 /nfs/dbraw/zinc/72/50/14/1343725014.db2.gz VWARULXNQAENHU-QGZVFWFLSA-N 1 2 345.834 2.418 20 30 EEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H](C(N)=O)c1ccccc1 ZINC001602858433 1350597043 /nfs/dbraw/zinc/59/70/43/1350597043.db2.gz QCLSSWFQTHFRGH-QGZVFWFLSA-N 1 2 348.410 2.081 20 30 EEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H](C(N)=O)c1ccccc1 ZINC001602858433 1350597044 /nfs/dbraw/zinc/59/70/44/1350597044.db2.gz QCLSSWFQTHFRGH-QGZVFWFLSA-N 1 2 348.410 2.081 20 30 EEEDLO Cc1ccnc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)n1 ZINC001085565656 1367706222 /nfs/dbraw/zinc/70/62/22/1367706222.db2.gz QATIQPQKOBCDRG-KRWDZBQOSA-N 1 2 335.411 2.003 20 30 EEEDLO Cc1ccnc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)n1 ZINC001085565656 1367706230 /nfs/dbraw/zinc/70/62/30/1367706230.db2.gz QATIQPQKOBCDRG-KRWDZBQOSA-N 1 2 335.411 2.003 20 30 EEEDLO O=C(c1cc(C2CC2)[nH]n1)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001185841941 1368172813 /nfs/dbraw/zinc/17/28/13/1368172813.db2.gz RDMLYXQKVWAGKO-QGZVFWFLSA-N 1 2 334.423 2.143 20 30 EEEDLO 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ZINC001195541291 1368550872 /nfs/dbraw/zinc/55/08/72/1368550872.db2.gz RKLPHCGCEHBRLX-UHFFFAOYSA-N 1 2 347.503 2.117 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C(C)(C)C2CCC2)CC1 ZINC001196666510 1368599931 /nfs/dbraw/zinc/59/99/31/1368599931.db2.gz VXJMMDOEHKKCDE-OAHLLOKOSA-N 1 2 335.492 2.038 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C(C)(C)C2CCC2)CC1 ZINC001196666510 1368599936 /nfs/dbraw/zinc/59/99/36/1368599936.db2.gz VXJMMDOEHKKCDE-OAHLLOKOSA-N 1 2 335.492 2.038 20 30 EEEDLO COc1ccccc1[C@@H](CNC(=O)[C@H](C)C#N)[NH2+]Cc1cncs1 ZINC001198616154 1368632188 /nfs/dbraw/zinc/63/21/88/1368632188.db2.gz FYEVNCZGDGUZOA-IUODEOHRSA-N 1 2 344.440 2.258 20 30 EEEDLO C=CC[C@H](NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)c1ccncc1 ZINC000853746941 1369374864 /nfs/dbraw/zinc/37/48/64/1369374864.db2.gz MKAGHSYOOWIQPC-ZOBUZTSGSA-N 1 2 332.448 2.107 20 30 EEEDLO C=CC[C@H](NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)c1ccncc1 ZINC000853746941 1369374869 /nfs/dbraw/zinc/37/48/69/1369374869.db2.gz 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/nfs/dbraw/zinc/96/48/11/1372964811.db2.gz FFUOSJFJBFLPRM-IAGOWNOFSA-N 1 2 345.491 2.464 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(F)CC1 ZINC001355886719 1373180456 /nfs/dbraw/zinc/18/04/56/1373180456.db2.gz JIENIGCYHVENQC-HNNXBMFYSA-N 1 2 337.443 2.184 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(F)CC1 ZINC001355886719 1373180460 /nfs/dbraw/zinc/18/04/60/1373180460.db2.gz JIENIGCYHVENQC-HNNXBMFYSA-N 1 2 337.443 2.184 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)C1(COC)CCC1 ZINC001366657598 1373990077 /nfs/dbraw/zinc/99/00/77/1373990077.db2.gz AWWFQXJNNZAKAM-ZDUSSCGKSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)C1(COC)CCC1 ZINC001366657598 1373990079 /nfs/dbraw/zinc/99/00/79/1373990079.db2.gz AWWFQXJNNZAKAM-ZDUSSCGKSA-N 1 2 345.281 2.292 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)CCc2ccccn2)C1 ZINC001366977582 1374073927 /nfs/dbraw/zinc/07/39/27/1374073927.db2.gz XAURMWVFZOWCLS-UHFFFAOYSA-N 1 2 334.423 2.134 20 30 EEEDLO 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C=C(Br)C[N@H+]1CC[C@](O)(CNC(=O)C2(CCC)CC2)C1 ZINC001380550527 1381284285 /nfs/dbraw/zinc/28/42/85/1381284285.db2.gz HEEPFQXSHRZGOZ-HNNXBMFYSA-N 1 2 345.281 2.028 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](O)(CNC(=O)C2(CCC)CC2)C1 ZINC001380550527 1381284288 /nfs/dbraw/zinc/28/42/88/1381284288.db2.gz HEEPFQXSHRZGOZ-HNNXBMFYSA-N 1 2 345.281 2.028 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(Cn2cccn2)o1 ZINC001381525526 1381637249 /nfs/dbraw/zinc/63/72/49/1381637249.db2.gz PHWRQUQGSFLBFP-CYBMUJFWSA-N 1 2 336.823 2.327 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(Cn2cccn2)o1 ZINC001381525526 1381637252 /nfs/dbraw/zinc/63/72/52/1381637252.db2.gz PHWRQUQGSFLBFP-CYBMUJFWSA-N 1 2 336.823 2.327 20 30 EEEDLO COCC[N@H+](CCNC(=O)[C@@H]1CC12CC2)Cc1cc(C#N)ccc1F ZINC001382548502 1382132717 /nfs/dbraw/zinc/13/27/17/1382132717.db2.gz SCIRMDHARVABCK-INIZCTEOSA-N 1 2 345.418 2.062 20 30 EEEDLO COCC[N@@H+](CCNC(=O)[C@@H]1CC12CC2)Cc1cc(C#N)ccc1F ZINC001382548502 1382132722 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2.104 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2nn(CC)nc2C)C1 ZINC001752785493 1406404678 /nfs/dbraw/zinc/40/46/78/1406404678.db2.gz AYBYPAZFDIYVIU-INIZCTEOSA-N 1 2 333.480 2.291 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1CCC[N@H+](Cc2nn(CC)nc2C)C1 ZINC001752785493 1406404684 /nfs/dbraw/zinc/40/46/84/1406404684.db2.gz AYBYPAZFDIYVIU-INIZCTEOSA-N 1 2 333.480 2.291 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1ccnc(C2CC2)n1 ZINC001392307995 1389966864 /nfs/dbraw/zinc/96/68/64/1389966864.db2.gz AYQFPNAMILBLCB-UHFFFAOYSA-N 1 2 349.438 2.430 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1ccnc(C2CC2)n1 ZINC001392307995 1389966866 /nfs/dbraw/zinc/96/68/66/1389966866.db2.gz AYQFPNAMILBLCB-UHFFFAOYSA-N 1 2 349.438 2.430 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1nnc2ccccc2c1O ZINC001394113447 1390617972 /nfs/dbraw/zinc/61/79/72/1390617972.db2.gz ODLJIEBKALTMPU-NSHDSACASA-N 1 2 334.807 2.138 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1nnc2ccccc2c1O ZINC001394113447 1390617976 /nfs/dbraw/zinc/61/79/76/1390617976.db2.gz ODLJIEBKALTMPU-NSHDSACASA-N 1 2 334.807 2.138 20 30 EEEDLO C[C@@H](CC#N)N(C)c1nnc(C(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001395911249 1390877250 /nfs/dbraw/zinc/87/72/50/1390877250.db2.gz OFQAMRZOHOYFOE-GJZGRUSLSA-N 1 2 348.495 2.035 20 30 EEEDLO C[C@@H](CC#N)N(C)c1nnc(C(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001395911249 1390877251 /nfs/dbraw/zinc/87/72/51/1390877251.db2.gz OFQAMRZOHOYFOE-GJZGRUSLSA-N 1 2 348.495 2.035 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)COCc1cc(C)on1 ZINC001398740474 1394171948 /nfs/dbraw/zinc/17/19/48/1394171948.db2.gz OSVUCJNCAVLKTI-OAHLLOKOSA-N 1 2 341.839 2.223 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)COCc1cc(C)on1 ZINC001398740474 1394171950 /nfs/dbraw/zinc/17/19/50/1394171950.db2.gz OSVUCJNCAVLKTI-OAHLLOKOSA-N 1 2 341.839 2.223 20 30 EEEDLO C#CCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1nccc(C)n1 ZINC001754866283 1406971604 /nfs/dbraw/zinc/97/16/04/1406971604.db2.gz WTSFAUJZYJZIBB-IAGOWNOFSA-N 1 2 326.444 2.154 20 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2.422 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCCCC)C2)CCCC1 ZINC001731377161 1405852362 /nfs/dbraw/zinc/85/23/62/1405852362.db2.gz BALCLYQKFQABPE-MRXNPFEDSA-N 1 2 335.492 2.230 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCCCC)C2)CCCC1 ZINC001731377161 1405852375 /nfs/dbraw/zinc/85/23/75/1405852375.db2.gz BALCLYQKFQABPE-MRXNPFEDSA-N 1 2 335.492 2.230 20 30 EEEDLO C[C@H](CN(C)C(=O)C#CC(C)(C)C)[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001755585601 1407657140 /nfs/dbraw/zinc/65/71/40/1407657140.db2.gz AJWWYVNNSKHPPH-CYBMUJFWSA-N 1 2 334.464 2.353 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H]([NH2+]Cc2nc(CC3CC3)no2)C[C@@H]1C ZINC001755674403 1407722132 /nfs/dbraw/zinc/72/21/32/1407722132.db2.gz FONAEWHMHHLCLC-DZGCQCFKSA-N 1 2 332.448 2.457 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CCC[N@H+](Cc3cnnn3C)[C@@H]2C)CCC1 ZINC001755720534 1407779762 /nfs/dbraw/zinc/77/97/62/1407779762.db2.gz FXWKKMSANBEEQB-ZBFHGGJFSA-N 1 2 331.464 2.031 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](Cc3cnnn3C)[C@@H]2C)CCC1 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C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ns2)C[C@H]1OC ZINC001212339010 776211756 /nfs/dbraw/zinc/21/17/56/776211756.db2.gz WELVILQTKFEXDA-HUUCEWRRSA-N 1 2 337.489 2.369 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(C)ns2)C[C@H]1OC ZINC001212339010 776211764 /nfs/dbraw/zinc/21/17/64/776211764.db2.gz WELVILQTKFEXDA-HUUCEWRRSA-N 1 2 337.489 2.369 20 30 EEEDLO CO[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1)C1CC1 ZINC000981075588 776482726 /nfs/dbraw/zinc/48/27/26/776482726.db2.gz JIYHBMWDEQCLFJ-SFHVURJKSA-N 1 2 345.418 2.157 20 30 EEEDLO CO[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1)C1CC1 ZINC000981075588 776482731 /nfs/dbraw/zinc/48/27/31/776482731.db2.gz JIYHBMWDEQCLFJ-SFHVURJKSA-N 1 2 345.418 2.157 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cn2nc(C)cc2C(F)F)CC1 ZINC000981240345 776928712 /nfs/dbraw/zinc/92/87/12/776928712.db2.gz DCSIPIVTVRHKEJ-UHFFFAOYSA-N 1 2 346.809 2.416 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cn2nc(C)cc2C(F)F)CC1 ZINC000981240345 776928713 /nfs/dbraw/zinc/92/87/13/776928713.db2.gz DCSIPIVTVRHKEJ-UHFFFAOYSA-N 1 2 346.809 2.416 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)cn1 ZINC001060361831 790517883 /nfs/dbraw/zinc/51/78/83/790517883.db2.gz TVCADXJMIVHYFO-WMLDXEAASA-N 1 2 349.438 2.196 20 30 EEEDLO CCc1cncc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)c1 ZINC001031849943 777367962 /nfs/dbraw/zinc/36/79/62/777367962.db2.gz IFMRKDXWRCQGSO-UHFFFAOYSA-N 1 2 334.423 2.377 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@]34C[C@H]3CCC4)C2)c1 ZINC001031859771 777641875 /nfs/dbraw/zinc/64/18/75/777641875.db2.gz CZEDXUZMIDQSOL-VQIMIIECSA-N 1 2 327.403 2.436 20 30 EEEDLO C[C@@H]1CO[C@@H](C(=O)NCC2C[NH+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC001031861031 777657295 /nfs/dbraw/zinc/65/72/95/777657295.db2.gz YEAZMXKSGHHESM-KBXCAEBGSA-N 1 2 346.858 2.165 20 30 EEEDLO Cc1cnc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)c(C)c1 ZINC001031863077 777716248 /nfs/dbraw/zinc/71/62/48/777716248.db2.gz AXCCSDKNIRBHMY-UHFFFAOYSA-N 1 2 334.423 2.432 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC3(F)F)C2)C1 ZINC000981755448 778142603 /nfs/dbraw/zinc/14/26/03/778142603.db2.gz IVLCADZOODNOOA-LLVKDONJSA-N 1 2 349.219 2.475 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CC3(F)F)C2)C1 ZINC000981755448 778142599 /nfs/dbraw/zinc/14/25/99/778142599.db2.gz IVLCADZOODNOOA-LLVKDONJSA-N 1 2 349.219 2.475 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2nc(C)cs2)c1 ZINC001028126059 778247305 /nfs/dbraw/zinc/24/73/05/778247305.db2.gz DCMSBTODQWVCQP-INIZCTEOSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2nc(C)cs2)c1 ZINC001028126059 778247311 /nfs/dbraw/zinc/24/73/11/778247311.db2.gz DCMSBTODQWVCQP-INIZCTEOSA-N 1 2 340.452 2.222 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1)C(C)C ZINC000981878913 778452803 /nfs/dbraw/zinc/45/28/03/778452803.db2.gz ZJWHPXJNZZBNBN-GOSISDBHSA-N 1 2 329.444 2.264 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1)C(C)C ZINC000981878913 778452808 /nfs/dbraw/zinc/45/28/08/778452808.db2.gz ZJWHPXJNZZBNBN-GOSISDBHSA-N 1 2 329.444 2.264 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@H+](CC(=O)NC2CCCC2)CC1 ZINC000981887564 778486284 /nfs/dbraw/zinc/48/62/84/778486284.db2.gz KIVCFNGKOLOTNA-LJQANCHMSA-N 1 2 335.492 2.182 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](CC(=O)NC2CCCC2)CC1 ZINC000981887564 778486287 /nfs/dbraw/zinc/48/62/87/778486287.db2.gz KIVCFNGKOLOTNA-LJQANCHMSA-N 1 2 335.492 2.182 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[N@@H+](Cc3cccnc3OC)CC2)C1 ZINC000981918230 778530394 /nfs/dbraw/zinc/53/03/94/778530394.db2.gz RREYAOYSIONJBS-UHFFFAOYSA-N 1 2 329.444 2.481 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[N@H+](Cc3cccnc3OC)CC2)C1 ZINC000981918230 778530399 /nfs/dbraw/zinc/53/03/99/778530399.db2.gz RREYAOYSIONJBS-UHFFFAOYSA-N 1 2 329.444 2.481 20 30 EEEDLO Cc1cnoc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001028236890 779493809 /nfs/dbraw/zinc/49/38/09/779493809.db2.gz AVVPAVLZPKQQLE-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cnoc1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001028236890 779493816 /nfs/dbraw/zinc/49/38/16/779493816.db2.gz AVVPAVLZPKQQLE-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ncccc1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031939902 780304909 /nfs/dbraw/zinc/30/49/09/780304909.db2.gz KLQQIWFYXZXOHQ-UHFFFAOYSA-N 1 2 338.386 2.263 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2coc(C)n2)C1 ZINC001087454664 780858229 /nfs/dbraw/zinc/85/82/29/780858229.db2.gz CBJGQQQRENLTCX-IAGOWNOFSA-N 1 2 341.386 2.343 20 30 EEEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2coc(C)n2)C1 ZINC001087454664 780858233 /nfs/dbraw/zinc/85/82/33/780858233.db2.gz CBJGQQQRENLTCX-IAGOWNOFSA-N 1 2 341.386 2.343 20 30 EEEDLO C=C(C)[C@H](CC(=O)N(C)CCCN(C)c1cc[nH+]c(C)n1)OCC ZINC001112131538 781129568 /nfs/dbraw/zinc/12/95/68/781129568.db2.gz IPVJOGWFOMUVJH-INIZCTEOSA-N 1 2 334.464 2.441 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000941840988 781201492 /nfs/dbraw/zinc/20/14/92/781201492.db2.gz VEJDAJKKBNOMNK-CQSZACIVSA-N 1 2 344.459 2.103 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2conc2C)C1 ZINC001087467478 781298295 /nfs/dbraw/zinc/29/82/95/781298295.db2.gz ZGJCVOIVJQMYOM-SJLPKXTDSA-N 1 2 341.386 2.343 20 30 EEEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2conc2C)C1 ZINC001087467478 781298300 /nfs/dbraw/zinc/29/83/00/781298300.db2.gz ZGJCVOIVJQMYOM-SJLPKXTDSA-N 1 2 341.386 2.343 20 30 EEEDLO Cc1nc(N[C@H]2C[C@H](CNC(=O)[C@@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001091444485 790874179 /nfs/dbraw/zinc/87/41/79/790874179.db2.gz DVTASRABOUEZSA-UBHSHLNASA-N 1 2 327.432 2.130 20 30 EEEDLO CCCCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001211857333 781448485 /nfs/dbraw/zinc/44/84/85/781448485.db2.gz IXSLJGZNARJHJN-RTBURBONSA-N 1 2 328.456 2.434 20 30 EEEDLO CCCCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001211857333 781448490 /nfs/dbraw/zinc/44/84/90/781448490.db2.gz IXSLJGZNARJHJN-RTBURBONSA-N 1 2 328.456 2.434 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)n1 ZINC001108100772 783322471 /nfs/dbraw/zinc/32/24/71/783322471.db2.gz SLQKMLOJGWNZIU-OCCSQVGLSA-N 1 2 338.415 2.022 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C)nc2C(C)C)C1 ZINC001108102699 783462445 /nfs/dbraw/zinc/46/24/45/783462445.db2.gz DCRPXTVKXGXTDP-FQEVSTJZSA-N 1 2 343.471 2.357 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C)nc2C(C)C)C1 ZINC001108102699 783462453 /nfs/dbraw/zinc/46/24/53/783462453.db2.gz DCRPXTVKXGXTDP-FQEVSTJZSA-N 1 2 343.471 2.357 20 30 EEEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000942955948 783549610 /nfs/dbraw/zinc/54/96/10/783549610.db2.gz ZWLSTGRKRSTGDK-QGZVFWFLSA-N 1 2 344.459 2.148 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cc(OC)no3)C2)cc1 ZINC001033322821 783559680 /nfs/dbraw/zinc/55/96/80/783559680.db2.gz NXOCRDVBXKGGEZ-MRXNPFEDSA-N 1 2 339.395 2.011 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cc(OC)no3)C2)cc1 ZINC001033322821 783559687 /nfs/dbraw/zinc/55/96/87/783559687.db2.gz NXOCRDVBXKGGEZ-MRXNPFEDSA-N 1 2 339.395 2.011 20 30 EEEDLO Cc1cc(C)c(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(C)[nH+]1 ZINC000906370007 783872629 /nfs/dbraw/zinc/87/26/29/783872629.db2.gz GKLJAJLEJCBHBQ-UHFFFAOYSA-N 1 2 335.411 2.236 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C)C1 ZINC000945375873 783986702 /nfs/dbraw/zinc/98/67/02/783986702.db2.gz QMTFDWNGZGGYOU-HOCLYGCPSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C)C1 ZINC000945375873 783986706 /nfs/dbraw/zinc/98/67/06/783986706.db2.gz QMTFDWNGZGGYOU-HOCLYGCPSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@H]1C[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091500492 790990125 /nfs/dbraw/zinc/99/01/25/790990125.db2.gz XPKGVPMNOMXLGQ-RBSFLKMASA-N 1 2 346.479 2.155 20 30 EEEDLO Cc1nc([C@@H](C)[N@@H+]2CCC3(C2)CCN(C(=O)C#CC2CC2)CC3)no1 ZINC001035183806 784019259 /nfs/dbraw/zinc/01/92/59/784019259.db2.gz WAJXBDOFNOLUHU-CQSZACIVSA-N 1 2 342.443 2.167 20 30 EEEDLO Cc1nc([C@@H](C)[N@H+]2CCC3(C2)CCN(C(=O)C#CC2CC2)CC3)no1 ZINC001035183806 784019262 /nfs/dbraw/zinc/01/92/62/784019262.db2.gz WAJXBDOFNOLUHU-CQSZACIVSA-N 1 2 342.443 2.167 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C[C@@H](CC)CCCC)[C@@H](n2ccnn2)C1 ZINC001129112707 784067757 /nfs/dbraw/zinc/06/77/57/784067757.db2.gz JKIHDOLNRPOXJR-KSZLIROESA-N 1 2 345.491 2.249 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](CC)CCCC)[C@@H](n2ccnn2)C1 ZINC001129112707 784067758 /nfs/dbraw/zinc/06/77/58/784067758.db2.gz JKIHDOLNRPOXJR-KSZLIROESA-N 1 2 345.491 2.249 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)CC1 ZINC000945499628 784216640 /nfs/dbraw/zinc/21/66/40/784216640.db2.gz LJPOHQQHULMRQP-GOEBONIOSA-N 1 2 344.459 2.052 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C2CCc3ccccc3CC2)C1 ZINC001035417800 784497943 /nfs/dbraw/zinc/49/79/43/784497943.db2.gz DMJBPXOAPMADHI-IBGZPJMESA-N 1 2 328.456 2.185 20 30 EEEDLO 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C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCOC2)[C@H]1C ZINC001089044316 791958112 /nfs/dbraw/zinc/95/81/12/791958112.db2.gz YFJXCLDHNKFUQN-MCIONIFRSA-N 1 2 345.281 2.291 20 30 EEEDLO Cc1nc(NCC[C@H]2[C@H](C)CCCN2C(=O)CSCC#N)cc[nH+]1 ZINC001091658082 791966528 /nfs/dbraw/zinc/96/65/28/791966528.db2.gz KBSXTDBHPBOYFX-HIFRSBDPSA-N 1 2 347.488 2.471 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CCC)[C@H]1C ZINC001089057004 792029103 /nfs/dbraw/zinc/02/91/03/792029103.db2.gz DISYDWVAVVNWJA-ILXRZTDVSA-N 1 2 341.883 2.109 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CCC)[C@H]1C ZINC001089057004 792029115 /nfs/dbraw/zinc/02/91/15/792029115.db2.gz DISYDWVAVVNWJA-ILXRZTDVSA-N 1 2 341.883 2.109 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@H](C)C(C)(C)C)C2)nn1 ZINC001098775354 792177580 /nfs/dbraw/zinc/17/75/80/792177580.db2.gz YRSPIPGEFCBGMR-RDJZCZTQSA-N 1 2 345.491 2.237 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nccn1CC)C2 ZINC001148138090 792182912 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EEEDLO C=CCCC(=O)NC[C@H]1C[N@H+](Cc2ccc(Cl)nc2)CCCO1 ZINC001149330273 792830309 /nfs/dbraw/zinc/83/03/09/792830309.db2.gz GYEQMSPNHLCTIM-HNNXBMFYSA-N 1 2 337.851 2.408 20 30 EEEDLO C=CCCC(=O)NC[C@H]1C[N@@H+](Cc2ccc(Cl)nc2)CCCO1 ZINC001149330273 792830319 /nfs/dbraw/zinc/83/03/19/792830319.db2.gz GYEQMSPNHLCTIM-HNNXBMFYSA-N 1 2 337.851 2.408 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CC1)OCC ZINC001109916077 806190496 /nfs/dbraw/zinc/19/04/96/806190496.db2.gz RKBJMWXKCUKXOQ-HZPDHXFCSA-N 1 2 332.448 2.463 20 30 EEEDLO C=CCC1(C(=O)NCC2(NC(=O)CCc3c[nH]c[nH+]3)CCC2)CCC1 ZINC001064408318 792999349 /nfs/dbraw/zinc/99/93/49/792999349.db2.gz VJYWUBDSICOAFU-UHFFFAOYSA-N 1 2 344.459 2.244 20 30 EEEDLO C=CCC1(C(=O)NCC2(NC(=O)CCc3c[nH+]c[nH]3)CCC2)CCC1 ZINC001064408318 792999354 /nfs/dbraw/zinc/99/93/54/792999354.db2.gz VJYWUBDSICOAFU-UHFFFAOYSA-N 1 2 344.459 2.244 20 30 EEEDLO C[C@@H](CC(=O)N1CC2(C[C@H]1C)CCN(CC#N)CC2)n1cc[nH+]c1 ZINC001086945560 793041881 /nfs/dbraw/zinc/04/18/81/793041881.db2.gz DSSLPGJUUYKZKZ-JKSUJKDBSA-N 1 2 329.448 2.061 20 30 EEEDLO C=C1CC(C)(C(=O)NCC2(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC2)C1 ZINC001064459693 793167042 /nfs/dbraw/zinc/16/70/42/793167042.db2.gz QDVSQXSKHIHTEX-CQSZACIVSA-N 1 2 344.459 2.100 20 30 EEEDLO C=C1CC(C)(C(=O)NCC2(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC2)C1 ZINC001064459693 793167048 /nfs/dbraw/zinc/16/70/48/793167048.db2.gz QDVSQXSKHIHTEX-CQSZACIVSA-N 1 2 344.459 2.100 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C)s3)C[C@@]2(C)C1 ZINC001091917448 793404663 /nfs/dbraw/zinc/40/46/63/793404663.db2.gz YBUUFRWTRQFNCH-DYVFJYSZSA-N 1 2 334.489 2.339 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C)s3)C[C@@]2(C)C1 ZINC001091917448 793404667 /nfs/dbraw/zinc/40/46/67/793404667.db2.gz YBUUFRWTRQFNCH-DYVFJYSZSA-N 1 2 334.489 2.339 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C1CC([NH2+]Cc2noc(CC)n2)C1 ZINC000998902966 793551796 /nfs/dbraw/zinc/55/17/96/793551796.db2.gz AMOQTQAJKDFQAY-UHFFFAOYSA-N 1 2 343.431 2.012 20 30 EEEDLO C=CCCC(=O)N1CCC(N(CCO)c2cc(CC)[nH+]c(C)n2)CC1 ZINC001092105311 793563401 /nfs/dbraw/zinc/56/34/01/793563401.db2.gz VVEUEOCYMNWOJL-UHFFFAOYSA-N 1 2 346.475 2.103 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1O ZINC001092172829 793636913 /nfs/dbraw/zinc/63/69/13/793636913.db2.gz HZVFKNIDNXAYDR-JKSUJKDBSA-N 1 2 346.475 2.321 20 30 EEEDLO C=C1CCC(C(=O)NC2C[NH+](C[C@@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC001030899340 793707840 /nfs/dbraw/zinc/70/78/40/793707840.db2.gz ACMROHDUZHBJPI-IBGZPJMESA-N 1 2 346.446 2.276 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CC=CCC1)c1nccn12 ZINC001092385946 793880363 /nfs/dbraw/zinc/88/03/63/793880363.db2.gz ADECQQMMJDYNFL-HOTGVXAUSA-N 1 2 326.444 2.387 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC3(C[NH+](CC#CC)C3)n3ccnc32)CC1 ZINC001092391290 793889315 /nfs/dbraw/zinc/88/93/15/793889315.db2.gz SEUSDRCUJHXIIJ-KRWDZBQOSA-N 1 2 338.455 2.225 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnoc1C(C)C)c1nccn12 ZINC001092406125 793907241 /nfs/dbraw/zinc/90/72/41/793907241.db2.gz PKXMXFQTBWMCJP-CQSZACIVSA-N 1 2 341.415 2.066 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH]cnc4C3)CCC[C@@H]12 ZINC000992427573 794064034 /nfs/dbraw/zinc/06/40/34/794064034.db2.gz LQZAEQFSTSSTJU-MZMPZRCHSA-N 1 2 348.878 2.380 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4[nH]cnc4C3)CCC[C@@H]12 ZINC000992427573 794064042 /nfs/dbraw/zinc/06/40/42/794064042.db2.gz LQZAEQFSTSSTJU-MZMPZRCHSA-N 1 2 348.878 2.380 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC000999250787 794118756 /nfs/dbraw/zinc/11/87/56/794118756.db2.gz NLDWMQSXASIRBV-NSHDSACASA-N 1 2 328.869 2.397 20 30 EEEDLO C[C@]1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)CCCOC1 ZINC001032702988 794172797 /nfs/dbraw/zinc/17/27/97/794172797.db2.gz HAOLOXCJLUYZBM-BJLQDIEVSA-N 1 2 339.439 2.160 20 30 EEEDLO C[C@]1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)CCCOC1 ZINC001032702988 794172799 /nfs/dbraw/zinc/17/27/99/794172799.db2.gz HAOLOXCJLUYZBM-BJLQDIEVSA-N 1 2 339.439 2.160 20 30 EEEDLO C[C@H](C[C@H](C)Nc1ncccc1C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001089306974 795157395 /nfs/dbraw/zinc/15/73/95/795157395.db2.gz UJIKVNNGCUCCNV-OLZOCXBDSA-N 1 2 326.404 2.004 20 30 EEEDLO C=CC(C)(C)CC(=O)N(CC)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001079844381 795275663 /nfs/dbraw/zinc/27/56/63/795275663.db2.gz LPYFKJRLYGOWAJ-UHFFFAOYSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC(N(CC)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079854846 795283132 /nfs/dbraw/zinc/28/31/32/795283132.db2.gz FHZVZEWNNWEJNL-IFXJQAMLSA-N 1 2 346.475 2.250 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC(N(CC)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079854846 795283137 /nfs/dbraw/zinc/28/31/37/795283137.db2.gz FHZVZEWNNWEJNL-IFXJQAMLSA-N 1 2 346.475 2.250 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](CC)SC)CC2)C1 ZINC001093528951 795315141 /nfs/dbraw/zinc/31/51/41/795315141.db2.gz NGPSAZADJBQTFT-INIZCTEOSA-N 1 2 326.506 2.396 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@]34CCO[C@H]3CCCC4)CC2)C1 ZINC001093554274 795332877 /nfs/dbraw/zinc/33/28/77/795332877.db2.gz TVSMLBGPUFECHN-ICSRJNTNSA-N 1 2 348.487 2.214 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[C@@H]3OC)CC2)C1 ZINC001093549285 795365984 /nfs/dbraw/zinc/36/59/84/795365984.db2.gz UPZQNZGJSQPIAW-ROUUACIJSA-N 1 2 336.476 2.069 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CCc3cc(C)on3)CC2)C1 ZINC001093571597 795382061 /nfs/dbraw/zinc/38/20/61/795382061.db2.gz YZLAABVXXMTKRF-UHFFFAOYSA-N 1 2 347.459 2.184 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)C1 ZINC001093577107 795388200 /nfs/dbraw/zinc/38/82/00/795388200.db2.gz IDYKISRXPWDTRK-IAGOWNOFSA-N 1 2 330.428 2.261 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](OC)C3CCC3)CC2)C1 ZINC001093556708 795411368 /nfs/dbraw/zinc/41/13/68/795411368.db2.gz CYGYMKCGFFNTDN-GOSISDBHSA-N 1 2 336.476 2.069 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC(N(CC)C(=O)CCCn2cc[nH+]c2)C1 ZINC001080027134 795503702 /nfs/dbraw/zinc/50/37/02/795503702.db2.gz UIYVUBLWILELHU-INIZCTEOSA-N 1 2 346.475 2.325 20 30 EEEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001099224513 795528729 /nfs/dbraw/zinc/52/87/29/795528729.db2.gz BYHRSOSVKHNTRJ-GUYCJALGSA-N 1 2 341.883 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001099224513 795528736 /nfs/dbraw/zinc/52/87/36/795528736.db2.gz BYHRSOSVKHNTRJ-GUYCJALGSA-N 1 2 341.883 2.014 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnc3ccncc32)C1 ZINC001080201661 795731822 /nfs/dbraw/zinc/73/18/22/795731822.db2.gz QTEQHBVAXZALOB-BDJLRTHQSA-N 1 2 330.819 2.432 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnc3ccncc32)C1 ZINC001080201661 795731827 /nfs/dbraw/zinc/73/18/27/795731827.db2.gz QTEQHBVAXZALOB-BDJLRTHQSA-N 1 2 330.819 2.432 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001080243817 795751897 /nfs/dbraw/zinc/75/18/97/795751897.db2.gz RUEFQCOYHCXTFD-MEBBXXQBSA-N 1 2 347.850 2.149 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001080243817 795751904 /nfs/dbraw/zinc/75/19/04/795751904.db2.gz RUEFQCOYHCXTFD-MEBBXXQBSA-N 1 2 347.850 2.149 20 30 EEEDLO Cc1csc(C[N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)n1 ZINC000993192222 795757246 /nfs/dbraw/zinc/75/72/46/795757246.db2.gz BKXDPYROTJTQMV-IUODEOHRSA-N 1 2 343.456 2.434 20 30 EEEDLO Cc1csc(C[N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)n1 ZINC000993192222 795757248 /nfs/dbraw/zinc/75/72/48/795757248.db2.gz BKXDPYROTJTQMV-IUODEOHRSA-N 1 2 343.456 2.434 20 30 EEEDLO C=CC(C)(C)C(=O)N(CC)C1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001080223276 795758386 /nfs/dbraw/zinc/75/83/86/795758386.db2.gz ZFLLLOPERFFHFO-CQSZACIVSA-N 1 2 332.448 2.106 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)c2cccnc2)CC1 ZINC001000361251 795814360 /nfs/dbraw/zinc/81/43/60/795814360.db2.gz OZBMXEGCMSSHBP-UHFFFAOYSA-N 1 2 336.233 2.352 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)c2cccnc2)CC1 ZINC001000361251 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348.410 2.233 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CCOC[C@H]2C)CC1 ZINC001003580250 799853168 /nfs/dbraw/zinc/85/31/68/799853168.db2.gz PHCLUXFQNOZIIP-RISCZKNCSA-N 1 2 345.281 2.148 20 30 EEEDLO Cc1nc(N2CC[C@H]3[C@@H]2CCCN3C(=O)C#CC2CC2)c(C)c(C)[nH+]1 ZINC001066148970 800069338 /nfs/dbraw/zinc/06/93/38/800069338.db2.gz VRNBAHJRBOPDLY-ROUUACIJSA-N 1 2 338.455 2.385 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001066213902 800206126 /nfs/dbraw/zinc/20/61/26/800206126.db2.gz SECRMRNTPNLXLJ-AWEZNQCLSA-N 1 2 332.448 2.052 20 30 EEEDLO CN(C(=O)[C@H]1CCCOC1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032953359 800509637 /nfs/dbraw/zinc/50/96/37/800509637.db2.gz ORKPQBAGPGHLRA-MAUKXSAKSA-N 1 2 345.418 2.157 20 30 EEEDLO CN(C(=O)[C@H]1CCCOC1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032953359 800509642 /nfs/dbraw/zinc/50/96/42/800509642.db2.gz ORKPQBAGPGHLRA-MAUKXSAKSA-N 1 2 345.418 2.157 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)c1ccc[nH]1 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C=C[C@H](CC)CC(=O)N1CCC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001066347823 801746386 /nfs/dbraw/zinc/74/63/86/801746386.db2.gz ILXCOXYYCBCOSS-SJORKVTESA-N 1 2 346.475 2.373 20 30 EEEDLO Cn1ncc2c1CN(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N)C2 ZINC001183831833 801761658 /nfs/dbraw/zinc/76/16/58/801761658.db2.gz QIRUNZHCQMCUJR-GOSISDBHSA-N 1 2 349.438 2.189 20 30 EEEDLO Cn1ncc2c1CN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N)C2 ZINC001183831833 801761662 /nfs/dbraw/zinc/76/16/62/801761662.db2.gz QIRUNZHCQMCUJR-GOSISDBHSA-N 1 2 349.438 2.189 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001066361106 801924090 /nfs/dbraw/zinc/92/40/90/801924090.db2.gz CVCCZLGYHWYDEI-HOCLYGCPSA-N 1 2 346.475 2.360 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cccc3nccn32)CC1 ZINC001004491440 802201133 /nfs/dbraw/zinc/20/11/33/802201133.db2.gz VMQGADCOEZTERZ-INIZCTEOSA-N 1 2 337.427 2.174 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cccc3nccn32)CC1 ZINC001004491440 802201138 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EEEDLO CCn1cc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c(C)n1 ZINC001004570402 802390531 /nfs/dbraw/zinc/39/05/31/802390531.db2.gz RZTFCYNDODLLIX-QGZVFWFLSA-N 1 2 329.448 2.052 20 30 EEEDLO Cc1nsc(NC2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CC2)c1C#N ZINC001110361120 802472408 /nfs/dbraw/zinc/47/24/08/802472408.db2.gz BEJSOOATPWQPGK-LLVKDONJSA-N 1 2 344.444 2.232 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)Cc2cccs2)C1 ZINC001108252510 802486738 /nfs/dbraw/zinc/48/67/38/802486738.db2.gz WCKGVWBLHYSGNA-MAUKXSAKSA-N 1 2 334.485 2.157 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)Cc2cccs2)C1 ZINC001108252510 802486741 /nfs/dbraw/zinc/48/67/41/802486741.db2.gz WCKGVWBLHYSGNA-MAUKXSAKSA-N 1 2 334.485 2.157 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccc3c2ccn3C)C1 ZINC001108282205 803143399 /nfs/dbraw/zinc/14/33/99/803143399.db2.gz NIVHBAVFDBQBOK-FQEVSTJZSA-N 1 2 339.439 2.022 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccc3c2ccn3C)C1 ZINC001108282205 803143401 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C#CC[NH+]1CCN(c2nnc([C@H]3Cc4ccccc4O3)n2C2CC2)CC1 ZINC000491787055 533159072 /nfs/dbraw/zinc/15/90/72/533159072.db2.gz VRKCOWGFOQUZPF-GOSISDBHSA-N 1 2 349.438 2.044 20 30 EEEDLO C#CCn1ccc(CN(CCOC)c2cc(C)[nH+]c(C3CC3)n2)n1 ZINC000491735995 533218818 /nfs/dbraw/zinc/21/88/18/533218818.db2.gz QOVRTSBWCNMVQY-UHFFFAOYSA-N 1 2 325.416 2.145 20 30 EEEDLO COc1cc(C)[nH+]c(CN(c2cccc(C#N)c2)S(C)(=O)=O)c1 ZINC000270441846 256136171 /nfs/dbraw/zinc/13/61/71/256136171.db2.gz ZZUYLFLOQVKXDY-UHFFFAOYSA-N 1 2 331.397 2.237 20 30 EEEDLO C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)C(=O)Nc1ccccc1C#N ZINC000172613075 152101216 /nfs/dbraw/zinc/10/12/16/152101216.db2.gz GDIYUQBOTOSLMH-QWHCGFSZSA-N 1 2 334.383 2.279 20 30 EEEDLO C[C@@H]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000247368446 160321777 /nfs/dbraw/zinc/32/17/77/160321777.db2.gz HPDHRBIKGXECGI-RHSMWYFYSA-N 1 2 344.440 2.168 20 30 EEEDLO N#Cc1cnc2ccc(OC(F)F)cc2c1NCC[NH+]1CCOCC1 ZINC000299045581 270018658 /nfs/dbraw/zinc/01/86/58/270018658.db2.gz 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339.355 2.310 20 30 EEEDLO C#C[C@H]1COCCN1Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000491785847 275720707 /nfs/dbraw/zinc/72/07/07/275720707.db2.gz VKIGRPLEKVHTOJ-ZDUSSCGKSA-N 1 2 334.217 2.239 20 30 EEEDLO CC[C@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)[C@@H](CC)CN1C(C)=O ZINC000472354858 288278242 /nfs/dbraw/zinc/27/82/42/288278242.db2.gz ZQURADDOEXDTJU-IRXDYDNUSA-N 1 2 348.491 2.050 20 30 EEEDLO CC[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)[C@@H](CC)CN1C(C)=O ZINC000472354858 288278243 /nfs/dbraw/zinc/27/82/43/288278243.db2.gz ZQURADDOEXDTJU-IRXDYDNUSA-N 1 2 348.491 2.050 20 30 EEEDLO N#Cc1cc(N2CC[NH+](CCOc3ccccc3Cl)CC2)ncn1 ZINC000570905078 319708163 /nfs/dbraw/zinc/70/81/63/319708163.db2.gz AMIASSZWJINUAN-UHFFFAOYSA-N 1 2 343.818 2.203 20 30 EEEDLO COc1cc(N2CC[NH+](Cc3ccc(C#N)cn3)CC2)ccc1F ZINC000575069345 320084771 /nfs/dbraw/zinc/08/47/71/320084771.db2.gz WZNYDYNCZUZFKZ-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccn(CCC#N)n1)c1ccccc1 ZINC000525746225 448019886 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C[C@@H]1CCN(C(=O)Nc2ccn(CCC#N)n2)C[C@H]1n1cc[nH+]c1 ZINC000130592504 462766648 /nfs/dbraw/zinc/76/66/48/462766648.db2.gz ZHTQEUVEXINUMR-ZIAGYGMSSA-N 1 2 327.392 2.108 20 30 EEEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000130907616 462783002 /nfs/dbraw/zinc/78/30/02/462783002.db2.gz GJRMVIQURMOBDQ-UHFFFAOYSA-N 1 2 329.400 2.113 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000076182113 462818772 /nfs/dbraw/zinc/81/87/72/462818772.db2.gz ULMKIZUSYLPACZ-UWVGGRQHSA-N 1 2 345.287 2.421 20 30 EEEDLO C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000048160933 462867034 /nfs/dbraw/zinc/86/70/34/462867034.db2.gz VIMVGLJBKRAFIM-CYBMUJFWSA-N 1 2 327.388 2.009 20 30 EEEDLO COc1ccccc1C[N@H+](CC(=O)NCC#N)Cc1cccs1 ZINC000076667980 462893341 /nfs/dbraw/zinc/89/33/41/462893341.db2.gz AUNGPEUSGBJOQR-UHFFFAOYSA-N 1 2 329.425 2.399 20 30 EEEDLO COc1ccccc1C[N@@H+](CC(=O)NCC#N)Cc1cccs1 ZINC000076667980 462893345 /nfs/dbraw/zinc/89/33/45/462893345.db2.gz 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/nfs/dbraw/zinc/00/10/39/463001039.db2.gz SFVSHMGPPMWCCO-MRXNPFEDSA-N 1 2 348.491 2.222 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000067410746 463001043 /nfs/dbraw/zinc/00/10/43/463001043.db2.gz SFVSHMGPPMWCCO-MRXNPFEDSA-N 1 2 348.491 2.222 20 30 EEEDLO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000093298565 463023500 /nfs/dbraw/zinc/02/35/00/463023500.db2.gz XXUAWJQSRVRZET-ZDUSSCGKSA-N 1 2 349.456 2.469 20 30 EEEDLO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000093298565 463023504 /nfs/dbraw/zinc/02/35/04/463023504.db2.gz XXUAWJQSRVRZET-ZDUSSCGKSA-N 1 2 349.456 2.469 20 30 EEEDLO CCN(CC)C(=O)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000051182632 463024788 /nfs/dbraw/zinc/02/47/88/463024788.db2.gz YKYYRVWFPSZWSS-UHFFFAOYSA-N 1 2 330.432 2.016 20 30 EEEDLO CCc1nsc(N2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)n1 ZINC000121090215 463077614 /nfs/dbraw/zinc/07/76/14/463077614.db2.gz DZOXSVNNFNOLOG-UHFFFAOYSA-N 1 2 343.456 2.303 20 30 EEEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068245026 463110525 /nfs/dbraw/zinc/11/05/25/463110525.db2.gz MAZPZYBUAFBBNU-HNNXBMFYSA-N 1 2 335.407 2.458 20 30 EEEDLO C[C@@H]1C[NH+]=C(N2CCN(c3c(C#N)nnc4ccccc43)CC2)S1 ZINC000078400629 463113622 /nfs/dbraw/zinc/11/36/22/463113622.db2.gz FXJISFLAZFTCIE-GFCCVEGCSA-N 1 2 338.440 2.115 20 30 EEEDLO COc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(C)c1 ZINC000078544618 463126437 /nfs/dbraw/zinc/12/64/37/463126437.db2.gz GBNXIDVWFSXDGQ-UHFFFAOYSA-N 1 2 346.431 2.083 20 30 EEEDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000068428438 463134892 /nfs/dbraw/zinc/13/48/92/463134892.db2.gz ZATPIJHPKDBHMT-UHFFFAOYSA-N 1 2 334.851 2.202 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000026595037 463168056 /nfs/dbraw/zinc/16/80/56/463168056.db2.gz RQWIZNHIDBAANJ-UHFFFAOYSA-N 1 2 341.346 2.323 20 30 EEEDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000135553334 463173959 /nfs/dbraw/zinc/17/39/59/463173959.db2.gz YHHKPFCPXWUXMJ-OAHLLOKOSA-N 1 2 329.448 2.072 20 30 EEEDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000135553334 463173963 /nfs/dbraw/zinc/17/39/63/463173963.db2.gz YHHKPFCPXWUXMJ-OAHLLOKOSA-N 1 2 329.448 2.072 20 30 EEEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000079010146 463178214 /nfs/dbraw/zinc/17/82/14/463178214.db2.gz URANHTPSOPDQRB-IUODEOHRSA-N 1 2 329.379 2.450 20 30 EEEDLO Cc1cccc(N2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000027383881 463190107 /nfs/dbraw/zinc/19/01/07/463190107.db2.gz DFVRBOYIGKWVPA-LJQANCHMSA-N 1 2 328.460 2.172 20 30 EEEDLO C[C@@H](NC(=O)c1cccc(SCC#N)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000079542063 463225759 /nfs/dbraw/zinc/22/57/59/463225759.db2.gz CFJUZPLGJHQFKU-ZIAGYGMSSA-N 1 2 333.457 2.141 20 30 EEEDLO CCCCC[C@H](C)NC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029446438 463257594 /nfs/dbraw/zinc/25/75/94/463257594.db2.gz OLJBZBDABCIDKF-INIZCTEOSA-N 1 2 343.475 2.160 20 30 EEEDLO C#CCOc1ccc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000159786178 463304961 /nfs/dbraw/zinc/30/49/61/463304961.db2.gz ZDYLUJQVCNPZEM-UHFFFAOYSA-N 1 2 335.407 2.052 20 30 EEEDLO Cc1nc(C2([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)CCCCC2)no1 ZINC000138830449 463315004 /nfs/dbraw/zinc/31/50/04/463315004.db2.gz FEMZMSAMRQHPPR-INIZCTEOSA-N 1 2 333.436 2.182 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C#N ZINC000031895308 463358235 /nfs/dbraw/zinc/35/82/35/463358235.db2.gz XMCBSBVOMQNSOR-UHFFFAOYSA-N 1 2 348.472 2.420 20 30 EEEDLO COCC[N@H+](CCC#N)C[C@H](O)COc1ccc2ccccc2c1 ZINC000072690389 463534248 /nfs/dbraw/zinc/53/42/48/463534248.db2.gz CAKSGMCQEHIYLI-SFHVURJKSA-N 1 2 328.412 2.442 20 30 EEEDLO COCC[N@@H+](CCC#N)C[C@H](O)COc1ccc2ccccc2c1 ZINC000072690389 463534255 /nfs/dbraw/zinc/53/42/55/463534255.db2.gz CAKSGMCQEHIYLI-SFHVURJKSA-N 1 2 328.412 2.442 20 30 EEEDLO COC(=O)CC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083169172 463537504 /nfs/dbraw/zinc/53/75/04/463537504.db2.gz DHQGRRQBYSKGII-AWEZNQCLSA-N 1 2 347.440 2.000 20 30 EEEDLO CCOC(=O)C[N@H+](CC(=O)NC1(C#N)CCCCC1)C1CCCC1 ZINC000083244052 463542066 /nfs/dbraw/zinc/54/20/66/463542066.db2.gz BGYSRVXOXYFTSA-UHFFFAOYSA-N 1 2 335.448 2.137 20 30 EEEDLO CCOC(=O)C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C1CCCC1 ZINC000083244052 463542070 /nfs/dbraw/zinc/54/20/70/463542070.db2.gz BGYSRVXOXYFTSA-UHFFFAOYSA-N 1 2 335.448 2.137 20 30 EEEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)NC1(C#N)CCCCC1)CC2 ZINC000125850146 463585695 /nfs/dbraw/zinc/58/56/95/463585695.db2.gz AHMCUVGDXLREQQ-UHFFFAOYSA-N 1 2 327.428 2.396 20 30 EEEDLO COc1ccc2c(c1)C[N@H+](CC(=O)NC1(C#N)CCCCC1)CC2 ZINC000125850146 463585701 /nfs/dbraw/zinc/58/57/01/463585701.db2.gz AHMCUVGDXLREQQ-UHFFFAOYSA-N 1 2 327.428 2.396 20 30 EEEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000268507777 463771418 /nfs/dbraw/zinc/77/14/18/463771418.db2.gz BUJJQNBVGGWBNI-DOTOQJQBSA-N 1 2 346.427 2.104 20 30 EEEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000268507777 463771423 /nfs/dbraw/zinc/77/14/23/463771423.db2.gz BUJJQNBVGGWBNI-DOTOQJQBSA-N 1 2 346.427 2.104 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc(C(F)F)c1 ZINC000171482770 463871592 /nfs/dbraw/zinc/87/15/92/463871592.db2.gz LRWTVADSKVTGDW-UHFFFAOYSA-N 1 2 337.370 2.312 20 30 EEEDLO COCCN(C)c1ccc(/C=C/C(=O)c2cc(C(=O)OC)co2)c[nH+]1 ZINC000277750168 463930912 /nfs/dbraw/zinc/93/09/12/463930912.db2.gz ZGESMZJKURLQAA-GQCTYLIASA-N 1 2 344.367 2.440 20 30 EEEDLO C[C@@H](C[NH+]1CCOCC1)N(C)c1nc(C(F)(F)F)ccc1C#N ZINC000278570642 463970437 /nfs/dbraw/zinc/97/04/37/463970437.db2.gz BUJJYXYPGHQQCT-NSHDSACASA-N 1 2 328.338 2.129 20 30 EEEDLO COc1ccc(C[N@@H+]2CCOC[C@]23CCOC3)cc1OCCCC#N ZINC000195014925 463976299 /nfs/dbraw/zinc/97/62/99/463976299.db2.gz QAASXILQPVUUMB-LJQANCHMSA-N 1 2 346.427 2.369 20 30 EEEDLO COc1ccc(C[N@H+]2CCOC[C@]23CCOC3)cc1OCCCC#N ZINC000195014925 463976303 /nfs/dbraw/zinc/97/63/03/463976303.db2.gz QAASXILQPVUUMB-LJQANCHMSA-N 1 2 346.427 2.369 20 30 EEEDLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292224849 464169919 /nfs/dbraw/zinc/16/99/19/464169919.db2.gz PFKWOAICMPRCFS-RISCZKNCSA-N 1 2 325.372 2.428 20 30 EEEDLO C[C@H](c1nc(C2CC2)no1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292224849 464169924 /nfs/dbraw/zinc/16/99/24/464169924.db2.gz PFKWOAICMPRCFS-RISCZKNCSA-N 1 2 325.372 2.428 20 30 EEEDLO COc1ccc(-c2noc([C@@H](C)O[NH+]=C(N)[C@H]3CCCO3)n2)cc1 ZINC000284509628 464221084 /nfs/dbraw/zinc/22/10/84/464221084.db2.gz TZXWJVORUBDDGZ-ZWNOBZJWSA-N 1 2 332.360 2.274 20 30 EEEDLO C=C(C)CS(=O)(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000280587391 464221187 /nfs/dbraw/zinc/22/11/87/464221187.db2.gz NIZNHGSOKFMGCB-UHFFFAOYSA-N 1 2 326.437 2.239 20 30 EEEDLO C=C(C)CS(=O)(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000280587391 464221194 /nfs/dbraw/zinc/22/11/94/464221194.db2.gz NIZNHGSOKFMGCB-UHFFFAOYSA-N 1 2 326.437 2.239 20 30 EEEDLO C=CCCOCCNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000270398228 464253820 /nfs/dbraw/zinc/25/38/20/464253820.db2.gz JFFKVGLZAZHCJJ-UHFFFAOYSA-N 1 2 332.448 2.464 20 30 EEEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000264209434 464289796 /nfs/dbraw/zinc/28/97/96/464289796.db2.gz LYNAHVCRRMPHCC-UHFFFAOYSA-N 1 2 335.404 2.277 20 30 EEEDLO CCC[N@H+](CC#N)CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000264209434 464289800 /nfs/dbraw/zinc/28/98/00/464289800.db2.gz LYNAHVCRRMPHCC-UHFFFAOYSA-N 1 2 335.404 2.277 20 30 EEEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271875271 464397208 /nfs/dbraw/zinc/39/72/08/464397208.db2.gz XJCJSBSLTKTQIG-ZIAGYGMSSA-N 1 2 334.445 2.031 20 30 EEEDLO CC(=O)NCC1CCN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329907296 465470005 /nfs/dbraw/zinc/47/00/05/465470005.db2.gz SUJQFQWENRGAGH-HNNXBMFYSA-N 1 2 333.436 2.048 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545932302 468406104 /nfs/dbraw/zinc/40/61/04/468406104.db2.gz ZHONWZXQIPDCTE-DOMZBBRYSA-N 1 2 349.397 2.020 20 30 EEEDLO Cc1ccnc(OC2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)c1 ZINC000273046761 464700806 /nfs/dbraw/zinc/70/08/06/464700806.db2.gz XTHMQPSGCDRFEG-IBGZPJMESA-N 1 2 342.443 2.042 20 30 EEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCCCS(=O)(=O)c1ccccc1 ZINC000266205007 464769613 /nfs/dbraw/zinc/76/96/13/464769613.db2.gz MMLHOYYYMCGQSO-AWEZNQCLSA-N 1 2 342.461 2.200 20 30 EEEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)/C=C/c3ccc(C#N)cc3)CC2)S1 ZINC000266659693 464779970 /nfs/dbraw/zinc/77/99/70/464779970.db2.gz GVRFQTQJBOAQGC-PSKZRQQASA-N 1 2 340.452 2.207 20 30 EEEDLO CC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCNC1=O ZINC000282379835 464796171 /nfs/dbraw/zinc/79/61/71/464796171.db2.gz OHVLDLYXUDDNAG-AWEZNQCLSA-N 1 2 326.318 2.147 20 30 EEEDLO CC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCNC1=O ZINC000282379835 464796173 /nfs/dbraw/zinc/79/61/73/464796173.db2.gz OHVLDLYXUDDNAG-AWEZNQCLSA-N 1 2 326.318 2.147 20 30 EEEDLO C=CC[NH+]1CCC(NC(=O)N=c2nc(-c3ccccc3)[nH]s2)CC1 ZINC000358782515 465319524 /nfs/dbraw/zinc/31/95/24/465319524.db2.gz VYSJKNLOGKOHKE-UHFFFAOYSA-N 1 2 343.456 2.399 20 30 EEEDLO C[NH+](C)[C@@H](CNC(=O)C1CCS(=O)(=O)CC1)c1cccs1 ZINC000329421150 465327652 /nfs/dbraw/zinc/32/76/52/465327652.db2.gz HBVVDKBLHYIPJB-LBPRGKRZSA-N 1 2 330.475 2.132 20 30 EEEDLO CC(C)(C)C1=CC[N@H+](CCNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000330014149 465506063 /nfs/dbraw/zinc/50/60/63/465506063.db2.gz AOKRHXWXGPWVGT-CYBMUJFWSA-N 1 2 328.478 2.056 20 30 EEEDLO CC(C)(C)C1=CC[N@@H+](CCNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000330014149 465506065 /nfs/dbraw/zinc/50/60/65/465506065.db2.gz AOKRHXWXGPWVGT-CYBMUJFWSA-N 1 2 328.478 2.056 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000330020136 465508167 /nfs/dbraw/zinc/50/81/67/465508167.db2.gz WFGBWFYYRFPFOL-CQSZACIVSA-N 1 2 336.461 2.013 20 30 EEEDLO C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)[C@H](c2ccccc2)C1 ZINC000330073577 465524966 /nfs/dbraw/zinc/52/49/66/465524966.db2.gz ZYWRTSKDTOYFKG-JYJNAYRXSA-N 1 2 336.457 2.008 20 30 EEEDLO C[N@H+]1C[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)[C@H](c2ccccc2)C1 ZINC000330073577 465524970 /nfs/dbraw/zinc/52/49/70/465524970.db2.gz ZYWRTSKDTOYFKG-JYJNAYRXSA-N 1 2 336.457 2.008 20 30 EEEDLO Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)c(C)[nH+]1 ZINC000330082310 465526788 /nfs/dbraw/zinc/52/67/88/465526788.db2.gz ARCYFSFTUGZMTK-GFCCVEGCSA-N 1 2 326.418 2.269 20 30 EEEDLO N#C[C@H]1CCC[C@@H]1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000360064416 465528279 /nfs/dbraw/zinc/52/82/79/465528279.db2.gz CJFQJPYUXDFCJF-SJORKVTESA-N 1 2 337.427 2.465 20 30 EEEDLO CC[C@H]1COCCN1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000330295526 465603412 /nfs/dbraw/zinc/60/34/12/465603412.db2.gz FSNUCNFNPULLDB-AWEZNQCLSA-N 1 2 338.477 2.438 20 30 EEEDLO CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330319714 465610194 /nfs/dbraw/zinc/61/01/94/465610194.db2.gz DKQIUUPHALEYRP-JKIFEVAISA-N 1 2 343.431 2.396 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)nc1 ZINC000593972533 468448988 /nfs/dbraw/zinc/44/89/88/468448988.db2.gz STCICLCHVWJMBV-LJQANCHMSA-N 1 2 335.386 2.475 20 30 EEEDLO Cc1nsc(N2CC[NH+](CCOCC(F)(F)F)CC2)c1C#N ZINC000330821708 465817476 /nfs/dbraw/zinc/81/74/76/465817476.db2.gz DGEJEUYMPVVFLT-UHFFFAOYSA-N 1 2 334.367 2.024 20 30 EEEDLO COc1cc(C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)cc(OC)c1 ZINC000353457433 465898346 /nfs/dbraw/zinc/89/83/46/465898346.db2.gz ZCJGNUHQCFNWMN-GOSISDBHSA-N 1 2 333.432 2.190 20 30 EEEDLO COc1cc(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)cc(OC)c1 ZINC000353457433 465898348 /nfs/dbraw/zinc/89/83/48/465898348.db2.gz ZCJGNUHQCFNWMN-GOSISDBHSA-N 1 2 333.432 2.190 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000345767748 465901491 /nfs/dbraw/zinc/90/14/91/465901491.db2.gz HHKDJLVLPVWCDS-MOPGFXCFSA-N 1 2 343.471 2.354 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000345936358 465916341 /nfs/dbraw/zinc/91/63/41/465916341.db2.gz DCKDAHFUSYRFMT-CVEARBPZSA-N 1 2 335.473 2.077 20 30 EEEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(O)(C(F)F)CC2)c(C#N)c1C ZINC000331133418 465947067 /nfs/dbraw/zinc/94/70/67/465947067.db2.gz HMFBVZRDBMTXHX-SNVBAGLBSA-N 1 2 341.358 2.187 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000357434244 466034955 /nfs/dbraw/zinc/03/49/55/466034955.db2.gz IQBVTFLNQDUPIZ-CYBMUJFWSA-N 1 2 345.834 2.182 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000357434244 466034959 /nfs/dbraw/zinc/03/49/59/466034959.db2.gz IQBVTFLNQDUPIZ-CYBMUJFWSA-N 1 2 345.834 2.182 20 30 EEEDLO CCC[N@H+](CC(=O)OC(C)(C)C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000349251980 466038275 /nfs/dbraw/zinc/03/82/75/466038275.db2.gz RPFIBRJXSYHEOA-KSSFIOAISA-N 1 2 339.480 2.483 20 30 EEEDLO CCC[N@@H+](CC(=O)OC(C)(C)C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000349251980 466038285 /nfs/dbraw/zinc/03/82/85/466038285.db2.gz RPFIBRJXSYHEOA-KSSFIOAISA-N 1 2 339.480 2.483 20 30 EEEDLO COc1ccccc1[C@H](NC(=O)c1cc(C#N)c[nH]1)c1[nH+]ccn1C ZINC000371885281 466051449 /nfs/dbraw/zinc/05/14/49/466051449.db2.gz BRLKGRHVPFCGEY-INIZCTEOSA-N 1 2 335.367 2.148 20 30 EEEDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2nccnc2C#N)c2ccc(Cl)cc2)C1 ZINC000301905026 466057480 /nfs/dbraw/zinc/05/74/80/466057480.db2.gz YKNYOHBYBSTOJC-HZPDHXFCSA-N 1 2 343.818 2.485 20 30 EEEDLO C[N@H+]1CCO[C@@H]([C@H](Nc2nccnc2C#N)c2ccc(Cl)cc2)C1 ZINC000301905026 466057490 /nfs/dbraw/zinc/05/74/90/466057490.db2.gz YKNYOHBYBSTOJC-HZPDHXFCSA-N 1 2 343.818 2.485 20 30 EEEDLO CC(=O)c1ccc(C#N)c(NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000302033251 466084002 /nfs/dbraw/zinc/08/40/02/466084002.db2.gz OCDWDMDPOMGCAG-SFHVURJKSA-N 1 2 345.468 2.381 20 30 EEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1CCC[C@H]1C#N ZINC000331837822 466266512 /nfs/dbraw/zinc/26/65/12/466266512.db2.gz CKFBVYSHXMUIPB-ZFWWWQNUSA-N 1 2 329.404 2.040 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000346975945 466292072 /nfs/dbraw/zinc/29/20/72/466292072.db2.gz GLCLYCWZKDOQRJ-INIZCTEOSA-N 1 2 348.244 2.423 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000346975945 466292080 /nfs/dbraw/zinc/29/20/80/466292080.db2.gz GLCLYCWZKDOQRJ-INIZCTEOSA-N 1 2 348.244 2.423 20 30 EEEDLO C=CCC[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C(=O)OCC ZINC000569432172 468488436 /nfs/dbraw/zinc/48/84/36/468488436.db2.gz ZDSLYSQGTHFQEN-OAHLLOKOSA-N 1 2 329.400 2.199 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(CCC(=O)Nc3cccnc3)CC2)cc1 ZINC000358262883 466578994 /nfs/dbraw/zinc/57/89/94/466578994.db2.gz FYAIRVYGSXRRAU-UHFFFAOYSA-N 1 2 349.438 2.100 20 30 EEEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000408514116 466670981 /nfs/dbraw/zinc/67/09/81/466670981.db2.gz CRXPAAYWFCAQSF-UHFFFAOYSA-N 1 2 327.306 2.143 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411491138 466835686 /nfs/dbraw/zinc/83/56/86/466835686.db2.gz NPTXWKKMSIYZJM-ZBFHGGJFSA-N 1 2 331.416 2.043 20 30 EEEDLO CCCCCCCS(=O)(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000375624832 466851034 /nfs/dbraw/zinc/85/10/34/466851034.db2.gz 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CC[C@H]1C[N@@H+](CCNC(=O)N[C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000488348777 468082490 /nfs/dbraw/zinc/08/24/90/468082490.db2.gz OFZAUZXQQCONQP-PBHICJAKSA-N 1 2 330.432 2.029 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCN(CC)C(=O)[C@H]1CC ZINC000495239933 468083549 /nfs/dbraw/zinc/08/35/49/468083549.db2.gz LLPFHPNNXLAKMY-ZWKOTPCHSA-N 1 2 346.471 2.098 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCN(CC)C(=O)[C@H]1CC ZINC000495239933 468083550 /nfs/dbraw/zinc/08/35/50/468083550.db2.gz LLPFHPNNXLAKMY-ZWKOTPCHSA-N 1 2 346.471 2.098 20 30 EEEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCOc3ccc(F)cc3C2)cc1 ZINC000489219337 468124396 /nfs/dbraw/zinc/12/43/96/468124396.db2.gz OFZRKYQYGQNNCB-KRWDZBQOSA-N 1 2 342.370 2.332 20 30 EEEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCOc3ccc(F)cc3C2)cc1 ZINC000489219337 468124399 /nfs/dbraw/zinc/12/43/99/468124399.db2.gz OFZRKYQYGQNNCB-KRWDZBQOSA-N 1 2 342.370 2.332 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ncc(C#N)cn3)C[C@@H]21 ZINC000496292000 468145041 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CC[N@H+](CCC#N)[C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000610432771 468966702 /nfs/dbraw/zinc/96/67/02/468966702.db2.gz QQCNFPRBPQFIGM-PGBRGIIUSA-N 1 2 346.475 2.405 20 30 EEEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000610432771 468966707 /nfs/dbraw/zinc/96/67/07/468966707.db2.gz QQCNFPRBPQFIGM-PGBRGIIUSA-N 1 2 346.475 2.405 20 30 EEEDLO Cc1ccc2[nH+]c(CN3CCN(c4cnccc4C#N)CC3)cn2c1 ZINC000572673375 468968940 /nfs/dbraw/zinc/96/89/40/468968940.db2.gz OXKJLUMFEFMCRQ-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000602861738 469125721 /nfs/dbraw/zinc/12/57/21/469125721.db2.gz HWQFPRVBBAKYKI-JSGCOSHPSA-N 1 2 326.356 2.442 20 30 EEEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)cn1 ZINC000610999238 469136039 /nfs/dbraw/zinc/13/60/39/469136039.db2.gz RXBNIGQXFHHSTK-AWEZNQCLSA-N 1 2 330.432 2.253 20 30 EEEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)cn1 ZINC000610999238 469136044 /nfs/dbraw/zinc/13/60/44/469136044.db2.gz RXBNIGQXFHHSTK-AWEZNQCLSA-N 1 2 330.432 2.253 20 30 EEEDLO CN(CC[NH+]1CCOCC1)C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000611094042 469159605 /nfs/dbraw/zinc/15/96/05/469159605.db2.gz XFCWTUXWHXLBQM-UHFFFAOYSA-N 1 2 342.226 2.269 20 30 EEEDLO CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611175716 469182199 /nfs/dbraw/zinc/18/21/99/469182199.db2.gz MEZADXDSEJIQMW-UHFFFAOYSA-N 1 2 342.487 2.265 20 30 EEEDLO COC(=O)c1cccc(C[N@H+](C)Cc2ccc(OC)nc2)c1C#N ZINC000611209041 469192670 /nfs/dbraw/zinc/19/26/70/469192670.db2.gz DBMNDUPQKQXJOB-UHFFFAOYSA-N 1 2 325.368 2.380 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(OC)nc2)c1C#N ZINC000611209041 469192674 /nfs/dbraw/zinc/19/26/74/469192674.db2.gz DBMNDUPQKQXJOB-UHFFFAOYSA-N 1 2 325.368 2.380 20 30 EEEDLO COC(=O)c1cccc(C[NH2+][C@@]2(CO)CCc3ccccc32)c1C#N ZINC000611225504 469199437 /nfs/dbraw/zinc/19/94/37/469199437.db2.gz SVHCDGRHDCCZAV-HXUWFJFHSA-N 1 2 336.391 2.268 20 30 EEEDLO CC(C)[C@H](C)NC(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551846 469277502 /nfs/dbraw/zinc/27/75/02/469277502.db2.gz VPIATOCMCGOCDI-YJBOKZPZSA-N 1 2 346.450 2.169 20 30 EEEDLO Cc1cc(NC(=O)N2CCN(c3ccsc3C#N)CC2)cc[nH+]1 ZINC000596817132 469368830 /nfs/dbraw/zinc/36/88/30/469368830.db2.gz LZIHFGWEVMRCBN-UHFFFAOYSA-N 1 2 327.413 2.099 20 30 EEEDLO Cn1ncc(C2CC2)c1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000596979155 469430106 /nfs/dbraw/zinc/43/01/06/469430106.db2.gz GIUMVBRRMZHKSX-UHFFFAOYSA-N 1 2 335.455 2.487 20 30 EEEDLO CC(C)=C[C@H]1[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1(C)C ZINC000604537992 469489249 /nfs/dbraw/zinc/48/92/49/469489249.db2.gz YAOOFMCSGQEYHW-DLBZAZTESA-N 1 2 333.476 2.299 20 30 EEEDLO C=CC[C@H]1CCCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C1 ZINC000617779257 469800968 /nfs/dbraw/zinc/80/09/68/469800968.db2.gz XTLQEOFVBJRFMK-DOTOQJQBSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CC[C@H]1CCCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C1 ZINC000617779257 469800970 /nfs/dbraw/zinc/80/09/70/469800970.db2.gz XTLQEOFVBJRFMK-DOTOQJQBSA-N 1 2 346.475 2.298 20 30 EEEDLO N#CC1CCN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000609206927 469903041 /nfs/dbraw/zinc/90/30/41/469903041.db2.gz BDBDFXYSDDJFNL-UHFFFAOYSA-N 1 2 328.416 2.286 20 30 EEEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCOC[C@@H]2c2ccco2)cc1 ZINC000609744602 469958672 /nfs/dbraw/zinc/95/86/72/469958672.db2.gz LZZZBXLLNLMJQX-FUHWJXTLSA-N 1 2 342.395 2.159 20 30 EEEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@@H]2c2ccco2)cc1 ZINC000609744602 469958675 /nfs/dbraw/zinc/95/86/75/469958675.db2.gz LZZZBXLLNLMJQX-FUHWJXTLSA-N 1 2 342.395 2.159 20 30 EEEDLO C[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000610345828 470005680 /nfs/dbraw/zinc/00/56/80/470005680.db2.gz YSNCQJNRZRFSMM-AWEZNQCLSA-N 1 2 330.432 2.029 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000648095843 471083746 /nfs/dbraw/zinc/08/37/46/471083746.db2.gz KYWSAZIZRRWZHD-MSOLQXFVSA-N 1 2 344.455 2.239 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1CC[C@H]2CCC[C@@H]21 ZINC000669011062 471347839 /nfs/dbraw/zinc/34/78/39/471347839.db2.gz IOYXSJLHMZVZMW-FZKCQIBNSA-N 1 2 331.464 2.235 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1CC[C@H]2CCC[C@@H]21 ZINC000669011062 471347847 /nfs/dbraw/zinc/34/78/47/471347847.db2.gz IOYXSJLHMZVZMW-FZKCQIBNSA-N 1 2 331.464 2.235 20 30 EEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661326322 471716359 /nfs/dbraw/zinc/71/63/59/471716359.db2.gz PZRFXDODFXJHGB-MOPGFXCFSA-N 1 2 343.471 2.290 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](CC)c1nnc2n1CCCCC2 ZINC000661936718 471929837 /nfs/dbraw/zinc/92/98/37/471929837.db2.gz HABWCOALBRKZNA-OAHLLOKOSA-N 1 2 333.480 2.470 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000684783198 485996807 /nfs/dbraw/zinc/99/68/07/485996807.db2.gz UUHCLSHAOKBYKD-MOPGFXCFSA-N 1 2 344.455 2.230 20 30 EEEDLO Cc1ccc2[nH+]c(CSCC(=O)NC3(C#N)CCOCC3)cn2c1 ZINC000115467386 534505368 /nfs/dbraw/zinc/50/53/68/534505368.db2.gz MSXIMBJWTUTHGE-UHFFFAOYSA-N 1 2 344.440 2.065 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000456270133 534570444 /nfs/dbraw/zinc/57/04/44/534570444.db2.gz VHSGSWYDRFTUDM-CJNGLKHVSA-N 1 2 342.355 2.244 20 30 EEEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356382930 526338419 /nfs/dbraw/zinc/33/84/19/526338419.db2.gz WZLXCCKAXMSSER-MRXNPFEDSA-N 1 2 347.459 2.114 20 30 EEEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356382930 526338422 /nfs/dbraw/zinc/33/84/22/526338422.db2.gz WZLXCCKAXMSSER-MRXNPFEDSA-N 1 2 347.459 2.114 20 30 EEEDLO C=CC[C@@]1(C(=O)NCc2c[nH+]cn2C)CCCN1C(=O)OC(C)(C)C ZINC000291767633 527119322 /nfs/dbraw/zinc/11/93/22/527119322.db2.gz FFOUFLBIIHSHSP-SFHVURJKSA-N 1 2 348.447 2.382 20 30 EEEDLO CC(C)(CC#N)CNC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000459247658 534979275 /nfs/dbraw/zinc/97/92/75/534979275.db2.gz XAWUKNDPZVSNIO-UHFFFAOYSA-N 1 2 348.447 2.063 20 30 EEEDLO CC1(C)CC(=NNC2CCS(=O)(=O)CC2)C[N@@H+]1Cc1ccccc1 ZINC000776795257 577468211 /nfs/dbraw/zinc/46/82/11/577468211.db2.gz RMUMQEAEUXOLKX-UHFFFAOYSA-N 1 2 349.500 2.194 20 30 EEEDLO CC1(C)CC(=NNC2CCS(=O)(=O)CC2)C[N@H+]1Cc1ccccc1 ZINC000776795257 577468212 /nfs/dbraw/zinc/46/82/12/577468212.db2.gz RMUMQEAEUXOLKX-UHFFFAOYSA-N 1 2 349.500 2.194 20 30 EEEDLO N#Cc1ccc(Cn2cnc(NC(=O)c3cccc4[nH+]ccn43)n2)cc1 ZINC000776993784 577470785 /nfs/dbraw/zinc/47/07/85/577470785.db2.gz HUHPTHSUJKRJTJ-UHFFFAOYSA-N 1 2 343.350 2.098 20 30 EEEDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCNc1ccc(C#N)cn1 ZINC000766392863 577518517 /nfs/dbraw/zinc/51/85/17/577518517.db2.gz STERJASHKRMDJL-UHFFFAOYSA-N 1 2 336.403 2.372 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000766891437 577526534 /nfs/dbraw/zinc/52/65/34/577526534.db2.gz WBPCDPLAMURNJJ-AWEZNQCLSA-N 1 2 335.400 2.138 20 30 EEEDLO CC(=[NH+]Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1N(C)C ZINC000769567188 577580656 /nfs/dbraw/zinc/58/06/56/577580656.db2.gz OPCOVLMXHJJJSR-UHFFFAOYSA-N 1 2 332.429 2.236 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](C[C@H]3CC4(CC4)C(=O)O3)CC2)c(Cl)c1 ZINC000769920201 577587163 /nfs/dbraw/zinc/58/71/63/577587163.db2.gz GIDDLSOCOOOZHJ-CQSZACIVSA-N 1 2 345.830 2.429 20 30 EEEDLO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cn1nc2n(c1=O)CCCC2 ZINC000758308204 577621379 /nfs/dbraw/zinc/62/13/79/577621379.db2.gz RSCPVDLTVXGSFF-UHFFFAOYSA-N 1 2 339.443 2.368 20 30 EEEDLO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cn1nc2n(c1=O)CCCC2 ZINC000758308204 577621380 /nfs/dbraw/zinc/62/13/80/577621380.db2.gz RSCPVDLTVXGSFF-UHFFFAOYSA-N 1 2 339.443 2.368 20 30 EEEDLO CCCCCCCC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000761708878 577688039 /nfs/dbraw/zinc/68/80/39/577688039.db2.gz VWOUCBQCTKVVER-QGZVFWFLSA-N 1 2 326.481 2.297 20 30 EEEDLO CCOC(=O)[C@H]1CCC(N=Nc2ccc(-n3cc[nH+]c3)nn2)C[C@H]1C ZINC000761837589 577689862 /nfs/dbraw/zinc/68/98/62/577689862.db2.gz GXCWTNMLXVPQFL-OCCSQVGLSA-N 1 2 342.403 2.430 20 30 EEEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1ccc(OCC#N)cc1 ZINC000761840192 577689937 /nfs/dbraw/zinc/68/99/37/577689937.db2.gz ZHTVNOKGYVGKAM-UHFFFAOYSA-N 1 2 333.355 2.401 20 30 EEEDLO NC(=[NH+]OCc1nccn1CC(F)(F)F)c1ccc2c(c1)CCO2 ZINC000753829773 577794690 /nfs/dbraw/zinc/79/46/90/577794690.db2.gz KYAMFSZRUIADDA-UHFFFAOYSA-N 1 2 340.305 2.217 20 30 EEEDLO C#CCOCCC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000756037888 577837250 /nfs/dbraw/zinc/83/72/50/577837250.db2.gz ICKBMCPUAOQHEJ-INIZCTEOSA-N 1 2 325.412 2.376 20 30 EEEDLO C#Cc1cccc(NC(=S)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000743008581 577879050 /nfs/dbraw/zinc/87/90/50/577879050.db2.gz WIRGSRHFFMJCEZ-KRWDZBQOSA-N 1 2 329.469 2.161 20 30 EEEDLO C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000750503489 577993414 /nfs/dbraw/zinc/99/34/14/577993414.db2.gz LHPGPQWPPMUVSG-XJKSGUPXSA-N 1 2 334.391 2.024 20 30 EEEDLO C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000750503489 577993415 /nfs/dbraw/zinc/99/34/15/577993415.db2.gz LHPGPQWPPMUVSG-XJKSGUPXSA-N 1 2 334.391 2.024 20 30 EEEDLO C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1n[nH]nc1-c1ccccc1 ZINC000969156689 674648778 /nfs/dbraw/zinc/64/87/78/674648778.db2.gz ZRWQORGQXAYKDS-MRXNPFEDSA-N 1 2 337.427 2.079 20 30 EEEDLO C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1n[nH]nc1-c1ccccc1 ZINC000969156689 674648780 /nfs/dbraw/zinc/64/87/80/674648780.db2.gz ZRWQORGQXAYKDS-MRXNPFEDSA-N 1 2 337.427 2.079 20 30 EEEDLO C[C@@H](NC(=O)[C@@H]1CC1(F)F)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969634574 675134677 /nfs/dbraw/zinc/13/46/77/675134677.db2.gz WHAPUGWUYBEWGL-YGRLFVJLSA-N 1 2 337.345 2.289 20 30 EEEDLO C[C@H](NC(=O)[C@@H]1CC1(F)F)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969634568 675134819 /nfs/dbraw/zinc/13/48/19/675134819.db2.gz WHAPUGWUYBEWGL-HZMBPMFUSA-N 1 2 337.345 2.289 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970681060 676074205 /nfs/dbraw/zinc/07/42/05/676074205.db2.gz GJLFMSALPNRBRB-GFCCVEGCSA-N 1 2 342.374 2.244 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001006824221 676109849 /nfs/dbraw/zinc/10/98/49/676109849.db2.gz PEUJTAJNVAKYSS-ZWKOTPCHSA-N 1 2 327.428 2.208 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001006824221 676109850 /nfs/dbraw/zinc/10/98/50/676109850.db2.gz PEUJTAJNVAKYSS-ZWKOTPCHSA-N 1 2 327.428 2.208 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnc3ccccc3n2)C1 ZINC000969842070 675244192 /nfs/dbraw/zinc/24/41/92/675244192.db2.gz NMELUFNVEOSRKE-LBPRGKRZSA-N 1 2 330.819 2.432 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH2+]Cc3nc(C(C)(C)C)no3)C2)C1 ZINC000969884647 675281129 /nfs/dbraw/zinc/28/11/29/675281129.db2.gz MFYPMCXXLSZJTC-CYBMUJFWSA-N 1 2 332.448 2.414 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](Cc3cnc(C)cn3)C2)cc1 ZINC000970260902 675752634 /nfs/dbraw/zinc/75/26/34/675752634.db2.gz ZXABUBRBKLUSHS-OAHLLOKOSA-N 1 2 334.423 2.017 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021635588 676290504 /nfs/dbraw/zinc/29/05/04/676290504.db2.gz KWMKKOFKRWIDIP-CVEARBPZSA-N 1 2 336.867 2.257 20 30 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C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccc3ncccc32)C1 ZINC001108107602 1194925171 /nfs/dbraw/zinc/92/51/71/1194925171.db2.gz ZRUQWTAYZJCIFI-IBGZPJMESA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)C2CCOCC2)C1 ZINC001033724780 1195134717 /nfs/dbraw/zinc/13/47/17/1195134717.db2.gz BCOZFFSIKGFOMC-AWEZNQCLSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CCOCC2)C1 ZINC001033724780 1195134720 /nfs/dbraw/zinc/13/47/20/1195134720.db2.gz BCOZFFSIKGFOMC-AWEZNQCLSA-N 1 2 345.281 2.244 20 30 EEEDLO C#Cc1cncc(C(=O)N(CC)[C@@H]2CC[N@@H+]([C@H](C)c3ncccn3)C2)c1 ZINC001033953978 1195548404 /nfs/dbraw/zinc/54/84/04/1195548404.db2.gz APOJQLJGLKFLKC-CRAIPNDOSA-N 1 2 349.438 2.151 20 30 EEEDLO C#Cc1cncc(C(=O)N(CC)[C@@H]2CC[N@H+]([C@H](C)c3ncccn3)C2)c1 ZINC001033953978 1195548408 /nfs/dbraw/zinc/54/84/08/1195548408.db2.gz APOJQLJGLKFLKC-CRAIPNDOSA-N 1 2 349.438 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccnc(N(C)C)c2)C1 ZINC001033977849 1195586674 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/nfs/dbraw/zinc/28/99/68/1196289968.db2.gz NHUNLILVKBRYFY-RDJZCZTQSA-N 1 2 349.438 2.198 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H](Nc2[nH+]cnc3c2cnn3C)[C@@H]1C ZINC001090238827 1196534626 /nfs/dbraw/zinc/53/46/26/1196534626.db2.gz FKYBMSAYBIGFJG-GUTXKFCHSA-N 1 2 342.447 2.367 20 30 EEEDLO CC(C)CCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)C#CC2CC2)n1 ZINC001034930474 1196880537 /nfs/dbraw/zinc/88/05/37/1196880537.db2.gz SSQMQPYKTFHHLF-MRXNPFEDSA-N 1 2 344.459 2.152 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095320711 1197925901 /nfs/dbraw/zinc/92/59/01/1197925901.db2.gz NLGCJHFFNGQSOR-MAUKXSAKSA-N 1 2 332.448 2.417 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nnc(-c4ccco4)o3)C[C@H]21 ZINC001114353158 1197954703 /nfs/dbraw/zinc/95/47/03/1197954703.db2.gz NBOCCTYCFIKUMU-LAQFHYBYSA-N 1 2 342.399 2.232 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(-c4ccco4)o3)C[C@H]21 ZINC001114353158 1197954713 /nfs/dbraw/zinc/95/47/13/1197954713.db2.gz 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CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(c2ccccc2)CCCO1 ZINC001018215286 1224478723 /nfs/dbraw/zinc/47/87/23/1224478723.db2.gz KMUQYOWSPMLFOW-ZVDOUQERSA-N 1 2 338.451 2.391 20 30 EEEDLO C=CCN1C(=O)COCC12C[NH+](Cc1ccccc1OCC(=C)C)C2 ZINC001273374032 1198389127 /nfs/dbraw/zinc/38/91/27/1198389127.db2.gz JWASIGVZMNSICV-UHFFFAOYSA-N 1 2 342.439 2.241 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cnc(SCC)nc2)C1=O ZINC001273375424 1198396188 /nfs/dbraw/zinc/39/61/88/1198396188.db2.gz ZLKFUPLHDQYBCO-QGZVFWFLSA-N 1 2 332.473 2.342 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cnc(SCC)nc2)C1=O ZINC001273375424 1198396197 /nfs/dbraw/zinc/39/61/97/1198396197.db2.gz ZLKFUPLHDQYBCO-QGZVFWFLSA-N 1 2 332.473 2.342 20 30 EEEDLO N#CC1(C(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2nc3ccccc3[nH]2)CCC1 ZINC001273379820 1198412318 /nfs/dbraw/zinc/41/23/18/1198412318.db2.gz YQLKECKEIHNTGD-IRXDYDNUSA-N 1 2 349.438 2.432 20 30 EEEDLO N#CC1(C(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2nc3ccccc3[nH]2)CCC1 ZINC001273379820 1198412322 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347.459 2.307 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001132029390 1199232396 /nfs/dbraw/zinc/23/23/96/1199232396.db2.gz LLXABYORQMPBEU-HOTGVXAUSA-N 1 2 347.459 2.307 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2cccc(C)c2F)CC[C@H]1C ZINC001132055109 1199242281 /nfs/dbraw/zinc/24/22/81/1199242281.db2.gz XKIBRPJKQMEKNF-HUUCEWRRSA-N 1 2 347.434 2.019 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2cccc(C)c2F)CC[C@H]1C ZINC001132055109 1199242286 /nfs/dbraw/zinc/24/22/86/1199242286.db2.gz XKIBRPJKQMEKNF-HUUCEWRRSA-N 1 2 347.434 2.019 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2sc(C)cc2C)CC[C@@H]1C ZINC001132061322 1199250420 /nfs/dbraw/zinc/25/04/20/1199250420.db2.gz SCXKZTOOSYVIJK-DZGCQCFKSA-N 1 2 349.500 2.250 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2sc(C)cc2C)CC[C@@H]1C ZINC001132061322 1199250422 /nfs/dbraw/zinc/25/04/22/1199250422.db2.gz SCXKZTOOSYVIJK-DZGCQCFKSA-N 1 2 349.500 2.250 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ncc(C(C)(C)C)o1 ZINC001134054953 1199264874 /nfs/dbraw/zinc/26/48/74/1199264874.db2.gz XABJMAWNWSQCAC-MJBXVCDLSA-N 1 2 335.448 2.330 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCNC(=O)C2CC2)CC[C@H]1C ZINC001132078525 1199270027 /nfs/dbraw/zinc/27/00/27/1199270027.db2.gz LZFVCESNOBAPPG-HIFRSBDPSA-N 1 2 341.883 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCNC(=O)C2CC2)CC[C@H]1C ZINC001132078525 1199270031 /nfs/dbraw/zinc/27/00/31/1199270031.db2.gz LZFVCESNOBAPPG-HIFRSBDPSA-N 1 2 341.883 2.014 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COCc2cc(C)on2)CC[C@@H]1C ZINC001132125808 1199332383 /nfs/dbraw/zinc/33/23/83/1199332383.db2.gz YYHOMCNOYHZZQI-JSGCOSHPSA-N 1 2 341.839 2.221 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COCc2cc(C)on2)CC[C@@H]1C ZINC001132125808 1199332389 /nfs/dbraw/zinc/33/23/89/1199332389.db2.gz YYHOMCNOYHZZQI-JSGCOSHPSA-N 1 2 341.839 2.221 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cnnn2CC)C1 ZINC001132217909 1199456746 /nfs/dbraw/zinc/45/67/46/1199456746.db2.gz JAKYXMYTESHLGS-CABCVRRESA-N 1 2 333.480 2.369 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cnnn2CC)C1 ZINC001132217909 1199456750 /nfs/dbraw/zinc/45/67/50/1199456750.db2.gz JAKYXMYTESHLGS-CABCVRRESA-N 1 2 333.480 2.369 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132257042 1199496799 /nfs/dbraw/zinc/49/67/99/1199496799.db2.gz SPYCFBVXKZESFE-HZPDHXFCSA-N 1 2 337.508 2.474 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132257042 1199496802 /nfs/dbraw/zinc/49/68/02/1199496802.db2.gz SPYCFBVXKZESFE-HZPDHXFCSA-N 1 2 337.508 2.474 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=O)NCC(C)C)C2)CC1 ZINC001132278425 1199528943 /nfs/dbraw/zinc/52/89/43/1199528943.db2.gz OKHSOFFYQPMUFP-IAGOWNOFSA-N 1 2 349.519 2.474 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=O)NCC(C)C)C2)CC1 ZINC001132278425 1199528948 /nfs/dbraw/zinc/52/89/48/1199528948.db2.gz OKHSOFFYQPMUFP-IAGOWNOFSA-N 1 2 349.519 2.474 20 30 EEEDLO C#CCCCCCC(=O)NCC[NH2+]Cc1nc(CCC(C)C)no1 ZINC001132407666 1199665661 /nfs/dbraw/zinc/66/56/61/1199665661.db2.gz KZGOMGVLGAVCRD-UHFFFAOYSA-N 1 2 334.464 2.448 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(CC)o2)CC[C@@H]1C ZINC001132419579 1199669125 /nfs/dbraw/zinc/66/91/25/1199669125.db2.gz DZICJHUWSPTQPR-GJZGRUSLSA-N 1 2 347.459 2.035 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2cc(C)c(CC)o2)CC[C@@H]1C ZINC001132419579 1199669130 /nfs/dbraw/zinc/66/91/30/1199669130.db2.gz DZICJHUWSPTQPR-GJZGRUSLSA-N 1 2 347.459 2.035 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nnc(C(F)(F)F)s1 ZINC001132574223 1199873284 /nfs/dbraw/zinc/87/32/84/1199873284.db2.gz XMLHYABCMXEDMT-IUCAKERBSA-N 1 2 336.383 2.221 20 30 EEEDLO Cc1cc(Br)c(O)c(C[NH+]2CCN(CCC#N)CC2)c1 ZINC000877748024 1200072744 /nfs/dbraw/zinc/07/27/44/1200072744.db2.gz NIFAKUMBRAKWSR-UHFFFAOYSA-N 1 2 338.249 2.494 20 30 EEEDLO COc1cccc([C@@H]2CN(C(=O)Cc3ccccc3CC#N)CC[NH2+]2)c1 ZINC000870153801 1200516782 /nfs/dbraw/zinc/51/67/82/1200516782.db2.gz YGJLZPISAXMXCL-FQEVSTJZSA-N 1 2 349.434 2.477 20 30 EEEDLO C[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1CNCC#N ZINC001133222163 1200603370 /nfs/dbraw/zinc/60/33/70/1200603370.db2.gz LGYRPNVKUOJAER-WBVHZDCISA-N 1 2 337.427 2.084 20 30 EEEDLO CC(C)(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1O)C1CC1 ZINC001090507175 1200660009 /nfs/dbraw/zinc/66/00/09/1200660009.db2.gz MPFRTSXYENSBMT-QZTJIDSGSA-N 1 2 341.455 2.046 20 30 EEEDLO CC(C)(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1O)C1CC1 ZINC001090507175 1200660015 /nfs/dbraw/zinc/66/00/15/1200660015.db2.gz MPFRTSXYENSBMT-QZTJIDSGSA-N 1 2 341.455 2.046 20 30 EEEDLO C#CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000878780033 1200672036 /nfs/dbraw/zinc/67/20/36/1200672036.db2.gz NZAQLSWZJFBFBM-UHFFFAOYSA-N 1 2 330.432 2.127 20 30 EEEDLO C#CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000878780033 1200672040 /nfs/dbraw/zinc/67/20/40/1200672040.db2.gz NZAQLSWZJFBFBM-UHFFFAOYSA-N 1 2 330.432 2.127 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NCCC[NH2+]Cc1noc(C2CC2)n1 ZINC001158850038 1200808778 /nfs/dbraw/zinc/80/87/78/1200808778.db2.gz MWFGYYPDLWVBLX-UHFFFAOYSA-N 1 2 326.828 2.322 20 30 EEEDLO CCCNc1ccc(C#N)cc1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000866059133 1201417581 /nfs/dbraw/zinc/41/75/81/1201417581.db2.gz KOQUQCHLJZHKBZ-ARJAWSKDSA-N 1 2 328.416 2.207 20 30 EEEDLO CC(C)(C)C1CCC(C#N)(NC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000867462679 1201617785 /nfs/dbraw/zinc/61/77/85/1201617785.db2.gz IAYITUPIXKYZME-SNAWJCMRSA-N 1 2 333.476 2.490 20 30 EEEDLO CC(C)c1n[nH]cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015067942 1224706856 /nfs/dbraw/zinc/70/68/56/1224706856.db2.gz YFQATPDBMSJZNF-INIZCTEOSA-N 1 2 337.427 2.409 20 30 EEEDLO CC(C)c1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015067942 1224706860 /nfs/dbraw/zinc/70/68/60/1224706860.db2.gz YFQATPDBMSJZNF-INIZCTEOSA-N 1 2 337.427 2.409 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1n[nH]c2c1CCCC2 ZINC001015079451 1224720010 /nfs/dbraw/zinc/72/00/10/1224720010.db2.gz YYNVYIAXLUUMHD-KRWDZBQOSA-N 1 2 348.450 2.144 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1n[nH]c2c1CCCC2 ZINC001015079451 1224720014 /nfs/dbraw/zinc/72/00/14/1224720014.db2.gz YYNVYIAXLUUMHD-KRWDZBQOSA-N 1 2 348.450 2.144 20 30 EEEDLO C=CCC1(O)CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000884479008 1202324981 /nfs/dbraw/zinc/32/49/81/1202324981.db2.gz SKLQBACXWAWFFX-UHFFFAOYSA-N 1 2 343.387 2.214 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccc(C(F)F)cc2)C1 ZINC000885508517 1202420209 /nfs/dbraw/zinc/42/02/09/1202420209.db2.gz HLIMIPIHAKUWML-OAHLLOKOSA-N 1 2 342.411 2.141 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccc(C(F)F)cc2)C1 ZINC000885508517 1202420210 /nfs/dbraw/zinc/42/02/10/1202420210.db2.gz HLIMIPIHAKUWML-OAHLLOKOSA-N 1 2 342.411 2.141 20 30 EEEDLO CCOc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)co1 ZINC001015102027 1224747928 /nfs/dbraw/zinc/74/79/28/1224747928.db2.gz HWWKERQXMONGNV-NSHDSACASA-N 1 2 346.412 2.011 20 30 EEEDLO CCOc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)co1 ZINC001015102027 1224747932 /nfs/dbraw/zinc/74/79/32/1224747932.db2.gz HWWKERQXMONGNV-NSHDSACASA-N 1 2 346.412 2.011 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890246377 1204813658 /nfs/dbraw/zinc/81/36/58/1204813658.db2.gz JIDNPHFCWLKKOW-DLBZAZTESA-N 1 2 328.416 2.251 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccnc(C)n1)C2 ZINC001110851393 1204921669 /nfs/dbraw/zinc/92/16/69/1204921669.db2.gz WVZPBOYFDUUNHZ-OAGGEKHMSA-N 1 2 334.851 2.192 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccnc(C)n1)C2 ZINC001110851393 1204921673 /nfs/dbraw/zinc/92/16/73/1204921673.db2.gz WVZPBOYFDUUNHZ-OAGGEKHMSA-N 1 2 334.851 2.192 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C2 ZINC001110880572 1204958392 /nfs/dbraw/zinc/95/83/92/1204958392.db2.gz MWICOFXGNLUIJK-SYQHCUMBSA-N 1 2 341.883 2.011 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C2 ZINC001110880572 1204958394 /nfs/dbraw/zinc/95/83/94/1204958394.db2.gz MWICOFXGNLUIJK-SYQHCUMBSA-N 1 2 341.883 2.011 20 30 EEEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(O)c(F)c(F)c1)CC2 ZINC001274807656 1205173379 /nfs/dbraw/zinc/17/33/79/1205173379.db2.gz AEMGHJLFKSPXBO-ZDUSSCGKSA-N 1 2 334.366 2.022 20 30 EEEDLO N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2cc(Cl)ncc2O)C1=O ZINC001274850544 1205186851 /nfs/dbraw/zinc/18/68/51/1205186851.db2.gz UOXPKOVHYGGAGR-KRWDZBQOSA-N 1 2 348.834 2.311 20 30 EEEDLO N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Cl)ncc2O)C1=O ZINC001274850544 1205186853 /nfs/dbraw/zinc/18/68/53/1205186853.db2.gz UOXPKOVHYGGAGR-KRWDZBQOSA-N 1 2 348.834 2.311 20 30 EEEDLO COC(C)(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001274854702 1205187750 /nfs/dbraw/zinc/18/77/50/1205187750.db2.gz FQWOPKPWOGRSOW-OAHLLOKOSA-N 1 2 344.459 2.030 20 30 EEEDLO N#Cc1cccc(CN2C[C@@]3(CC2=O)CCCC[N@@H+]3Cc2cc[nH]n2)c1 ZINC001275161095 1205270077 /nfs/dbraw/zinc/27/00/77/1205270077.db2.gz AJTGZIJLPZUIPZ-FQEVSTJZSA-N 1 2 349.438 2.439 20 30 EEEDLO N#Cc1cccc(CN2C[C@@]3(CC2=O)CCCC[N@H+]3Cc2cc[nH]n2)c1 ZINC001275161095 1205270078 /nfs/dbraw/zinc/27/00/78/1205270078.db2.gz AJTGZIJLPZUIPZ-FQEVSTJZSA-N 1 2 349.438 2.439 20 30 EEEDLO N#Cc1c(Cl)cccc1CN1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001275363041 1205322294 /nfs/dbraw/zinc/32/22/94/1205322294.db2.gz NZDBCBXLBKVNBP-UHFFFAOYSA-N 1 2 327.819 2.253 20 30 EEEDLO C=CCOc1cccc(C[NH+]2CC3(CCN3COCCOC)C2)c1 ZINC001276090826 1205773864 /nfs/dbraw/zinc/77/38/64/1205773864.db2.gz FDDQNUPJOCSKOQ-UHFFFAOYSA-N 1 2 332.444 2.132 20 30 EEEDLO C=C1CCC(C(=O)NCCCN(C)c2[nH+]cnc3c2cnn3C)CC1 ZINC001095720683 1205923333 /nfs/dbraw/zinc/92/33/33/1205923333.db2.gz XKGPKHRSVWLINR-UHFFFAOYSA-N 1 2 342.447 2.052 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1 ZINC001110934122 1206314887 /nfs/dbraw/zinc/31/48/87/1206314887.db2.gz YZLNGCXZNHRBLM-HPBDAGMYSA-N 1 2 347.503 2.227 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1 ZINC001110934122 1206314889 /nfs/dbraw/zinc/31/48/89/1206314889.db2.gz YZLNGCXZNHRBLM-HPBDAGMYSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCOc1cccc(NC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000929933171 1206518866 /nfs/dbraw/zinc/51/88/66/1206518866.db2.gz SMDNHPWMVGPSOY-HNNXBMFYSA-N 1 2 333.432 2.436 20 30 EEEDLO C=CCOc1cccc(NC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)c1 ZINC000929933175 1206519016 /nfs/dbraw/zinc/51/90/16/1206519016.db2.gz SMDNHPWMVGPSOY-OAHLLOKOSA-N 1 2 333.432 2.436 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cn(C)nc1C)C2 ZINC001111099278 1208168839 /nfs/dbraw/zinc/16/88/39/1208168839.db2.gz YNQVKVQQFBVHNO-OAGGEKHMSA-N 1 2 336.867 2.135 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cn(C)nc1C)C2 ZINC001111099278 1208168841 /nfs/dbraw/zinc/16/88/41/1208168841.db2.gz YNQVKVQQFBVHNO-OAGGEKHMSA-N 1 2 336.867 2.135 20 30 EEEDLO C=CCCCC(=O)N1C[C@H](C)[C@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001111256917 1208483377 /nfs/dbraw/zinc/48/33/77/1208483377.db2.gz MHOQLSYCCLOISN-UONOGXRCSA-N 1 2 342.447 2.226 20 30 EEEDLO Cc1ccc(C#N)c(N(C)CCCNC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC001095753550 1208484148 /nfs/dbraw/zinc/48/41/48/1208484148.db2.gz MDGGIIVEMHKBMS-HNNXBMFYSA-N 1 2 340.431 2.052 20 30 EEEDLO Cc1nsc(N(C)CCCNC(=O)C[C@H](C)n2cc[nH+]c2)c1C#N ZINC001095753383 1208484170 /nfs/dbraw/zinc/48/41/70/1208484170.db2.gz GFDDZYJIUYGAMG-LBPRGKRZSA-N 1 2 346.460 2.114 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)n3)[C@H](C)C2)CC1 ZINC000947689813 1208674801 /nfs/dbraw/zinc/67/48/01/1208674801.db2.gz MXTFEMQWQXOZOF-GDBMZVCRSA-N 1 2 331.464 2.031 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)n3)[C@H](C)C2)CC1 ZINC000947689813 1208674803 /nfs/dbraw/zinc/67/48/03/1208674803.db2.gz MXTFEMQWQXOZOF-GDBMZVCRSA-N 1 2 331.464 2.031 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nn(CC)nc3C)[C@@H](C)C2)C1 ZINC000947702830 1208679129 /nfs/dbraw/zinc/67/91/29/1208679129.db2.gz SVSYKWHIODUOSM-GOEBONIOSA-N 1 2 345.491 2.432 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nn(CC)nc3C)[C@@H](C)C2)C1 ZINC000947702830 1208679131 /nfs/dbraw/zinc/67/91/31/1208679131.db2.gz SVSYKWHIODUOSM-GOEBONIOSA-N 1 2 345.491 2.432 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)on3)[C@@H](C)C2)c1 ZINC000947710335 1208681668 /nfs/dbraw/zinc/68/16/68/1208681668.db2.gz LUIWKOQWIKEOBO-GUYCJALGSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)on3)[C@@H](C)C2)c1 ZINC000947710335 1208681670 /nfs/dbraw/zinc/68/16/70/1208681670.db2.gz LUIWKOQWIKEOBO-GUYCJALGSA-N 1 2 338.411 2.142 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC000948970295 1209480731 /nfs/dbraw/zinc/48/07/31/1209480731.db2.gz WNCGIAPWJBQDCA-UFYCRDLUSA-N 1 2 338.451 2.316 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC000948970295 1209480733 /nfs/dbraw/zinc/48/07/33/1209480733.db2.gz WNCGIAPWJBQDCA-UFYCRDLUSA-N 1 2 338.451 2.316 20 30 EEEDLO C[C@H]1C[C@H]1CC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000950032796 1209990830 /nfs/dbraw/zinc/99/08/30/1209990830.db2.gz BKKRTFZSKUSXFB-RDJZCZTQSA-N 1 2 327.428 2.279 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[NH+](CCc3ccccc3F)CC2)c1 ZINC000950406912 1210193910 /nfs/dbraw/zinc/19/39/10/1210193910.db2.gz QDPZOTUMLMHVCB-UHFFFAOYSA-N 1 2 337.398 2.203 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2[nH]nc(C(F)(F)F)c2C)C1 ZINC000952407704 1211407046 /nfs/dbraw/zinc/40/70/46/1211407046.db2.gz ZLVONHIGICVCPZ-UHFFFAOYSA-N 1 2 330.354 2.459 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NCCCN(CC)c1nc(C)[nH+]c(C)c1C ZINC001095864963 1211570997 /nfs/dbraw/zinc/57/09/97/1211570997.db2.gz JWAVHDLTFBRXAO-GOSISDBHSA-N 1 2 334.464 2.062 20 30 EEEDLO Cc1cccn2cc(CCNC(=O)Cc3cccc(OCC#N)c3)[nH+]c12 ZINC000089821745 1212028132 /nfs/dbraw/zinc/02/81/32/1212028132.db2.gz YDIRYYBNFPFKOG-UHFFFAOYSA-N 1 2 348.406 2.447 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCC)C2)CC1 ZINC000956600976 1214123655 /nfs/dbraw/zinc/12/36/55/1214123655.db2.gz IURJHNJYCSPSHN-INIZCTEOSA-N 1 2 335.492 2.134 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccnc(C(F)(F)F)c2)C1 ZINC000957094930 1214831183 /nfs/dbraw/zinc/83/11/83/1214831183.db2.gz YATFKHIADGAKTR-UHFFFAOYSA-N 1 2 325.334 2.270 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nnc(CC)o3)C[C@H]21 ZINC001114681095 1214895706 /nfs/dbraw/zinc/89/57/06/1214895706.db2.gz QFBVIVJAMMPWQR-RMRHIDDWSA-N 1 2 332.448 2.342 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nnc(CC)o3)C[C@H]21 ZINC001114681095 1214895708 /nfs/dbraw/zinc/89/57/08/1214895708.db2.gz QFBVIVJAMMPWQR-RMRHIDDWSA-N 1 2 332.448 2.342 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2Oc3ccccc3O[C@H]2C)C1 ZINC000957372278 1215083401 /nfs/dbraw/zinc/08/34/01/1215083401.db2.gz 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N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccnc(F)c3)C2)c(F)c1 ZINC001010357932 1223679117 /nfs/dbraw/zinc/67/91/17/1223679117.db2.gz NCHDOMNFYPBPIC-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccnc(F)c3)C2)c(F)c1 ZINC001010357932 1223679118 /nfs/dbraw/zinc/67/91/18/1223679118.db2.gz NCHDOMNFYPBPIC-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)C3CC(F)(F)C3)C2)c1 ZINC001010474250 1223738336 /nfs/dbraw/zinc/73/83/36/1223738336.db2.gz WVDXEZCJEGPYHU-AWEZNQCLSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)C3CC(F)(F)C3)C2)c1 ZINC001010474250 1223738338 /nfs/dbraw/zinc/73/83/38/1223738338.db2.gz WVDXEZCJEGPYHU-AWEZNQCLSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)c3cncc(F)c3)C2)c1 ZINC001010525851 1223765169 /nfs/dbraw/zinc/76/51/69/1223765169.db2.gz DSQVYYFZELXDMY-MRXNPFEDSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)c3cncc(F)c3)C2)c1 ZINC001010525851 1223765170 /nfs/dbraw/zinc/76/51/70/1223765170.db2.gz DSQVYYFZELXDMY-MRXNPFEDSA-N 1 2 342.349 2.236 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CCCCO1 ZINC001010629554 1223820993 /nfs/dbraw/zinc/82/09/93/1223820993.db2.gz MQFIYNPJHHMOHG-MSOLQXFVSA-N 1 2 346.858 2.451 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CCCCO1 ZINC001010629554 1223820996 /nfs/dbraw/zinc/82/09/96/1223820996.db2.gz MQFIYNPJHHMOHG-MSOLQXFVSA-N 1 2 346.858 2.451 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3F)C2)[nH]1 ZINC001010652886 1223834249 /nfs/dbraw/zinc/83/42/49/1223834249.db2.gz WPMRHOJBBGIHEO-AWEZNQCLSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3F)C2)[nH]1 ZINC001010652886 1223834251 /nfs/dbraw/zinc/83/42/51/1223834251.db2.gz WPMRHOJBBGIHEO-AWEZNQCLSA-N 1 2 330.338 2.169 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)ns1 ZINC001010772716 1223900253 /nfs/dbraw/zinc/90/02/53/1223900253.db2.gz JJRWUNUREKPTEI-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)ns1 ZINC001010772716 1223900257 /nfs/dbraw/zinc/90/02/57/1223900257.db2.gz JJRWUNUREKPTEI-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1cc[nH]c1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010831858 1223928769 /nfs/dbraw/zinc/92/87/69/1223928769.db2.gz AYRVOHBMNORQTO-QGZVFWFLSA-N 1 2 325.387 2.318 20 30 EEEDLO Cc1cc[nH]c1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010831858 1223928771 /nfs/dbraw/zinc/92/87/71/1223928771.db2.gz AYRVOHBMNORQTO-QGZVFWFLSA-N 1 2 325.387 2.318 20 30 EEEDLO CN(C)c1ncccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016254671 1226257624 /nfs/dbraw/zinc/25/76/24/1226257624.db2.gz XJYQSNSYTHAKBT-QGZVFWFLSA-N 1 2 349.438 2.024 20 30 EEEDLO CN(C)c1ncccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016254671 1226257627 /nfs/dbraw/zinc/25/76/27/1226257627.db2.gz XJYQSNSYTHAKBT-QGZVFWFLSA-N 1 2 349.438 2.024 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001016278719 1226292597 /nfs/dbraw/zinc/29/25/97/1226292597.db2.gz UPCRPLLLHBKAPL-LBPRGKRZSA-N 1 2 331.247 2.096 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001016278719 1226292603 /nfs/dbraw/zinc/29/26/03/1226292603.db2.gz UPCRPLLLHBKAPL-LBPRGKRZSA-N 1 2 331.247 2.096 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CCOCC2)c1 ZINC001017493423 1227465494 /nfs/dbraw/zinc/46/54/94/1227465494.db2.gz AIUPHKIZQIQMJU-KDURUIRLSA-N 1 2 337.423 2.080 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CCOCC2)c1 ZINC001017493423 1227465496 /nfs/dbraw/zinc/46/54/96/1227465496.db2.gz AIUPHKIZQIQMJU-KDURUIRLSA-N 1 2 337.423 2.080 20 30 EEEDLO C=CCCCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C2 ZINC001054717894 1248922703 /nfs/dbraw/zinc/92/27/03/1248922703.db2.gz QORJOITZJDXOFI-ACHSLPGTSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(COC)no2)C1 ZINC001019233124 1228901048 /nfs/dbraw/zinc/90/10/48/1228901048.db2.gz FFAIBNWGSHIVOL-OLZOCXBDSA-N 1 2 336.436 2.070 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)c1[nH]ccc1C ZINC001038209987 1229690136 /nfs/dbraw/zinc/69/01/36/1229690136.db2.gz DCHHJQOXIXIXKX-INIZCTEOSA-N 1 2 338.411 2.208 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)c1[nH]ccc1C ZINC001038209987 1229690139 /nfs/dbraw/zinc/69/01/39/1229690139.db2.gz DCHHJQOXIXIXKX-INIZCTEOSA-N 1 2 338.411 2.208 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038529816 1229899974 /nfs/dbraw/zinc/89/99/74/1229899974.db2.gz ZSFBEMRCEDAHHI-QRVBRYPASA-N 1 2 326.440 2.044 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038529816 1229899976 /nfs/dbraw/zinc/89/99/76/1229899976.db2.gz ZSFBEMRCEDAHHI-QRVBRYPASA-N 1 2 326.440 2.044 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2conc2C2CC2)cc1 ZINC001038684596 1229975145 /nfs/dbraw/zinc/97/51/45/1229975145.db2.gz OQOCTYWCBFUCPW-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2conc2C2CC2)cc1 ZINC001038684596 1229975147 /nfs/dbraw/zinc/97/51/47/1229975147.db2.gz OQOCTYWCBFUCPW-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO CC[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC001038716512 1229993770 /nfs/dbraw/zinc/99/37/70/1229993770.db2.gz NXYLVLBRSANLME-DJIMGWMZSA-N 1 2 327.428 2.303 20 30 EEEDLO CC[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1OC ZINC001038716512 1229993771 /nfs/dbraw/zinc/99/37/71/1229993771.db2.gz NXYLVLBRSANLME-DJIMGWMZSA-N 1 2 327.428 2.303 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)(Nc2ccc(C#N)cn2)CC1 ZINC001067269324 1230031728 /nfs/dbraw/zinc/03/17/28/1230031728.db2.gz ZMXHHNUIEIZNMC-UHFFFAOYSA-N 1 2 338.415 2.021 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1conc1CC ZINC001038799755 1230065566 /nfs/dbraw/zinc/06/55/66/1230065566.db2.gz MVSYFHGUDQJMOX-RYRKJORJSA-N 1 2 347.459 2.299 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1conc1CC ZINC001038799755 1230065570 /nfs/dbraw/zinc/06/55/70/1230065570.db2.gz MVSYFHGUDQJMOX-RYRKJORJSA-N 1 2 347.459 2.299 20 30 EEEDLO COc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)o1 ZINC001038842992 1230103324 /nfs/dbraw/zinc/10/33/24/1230103324.db2.gz TVBGAOIDBRJQGY-HNNXBMFYSA-N 1 2 325.368 2.164 20 30 EEEDLO COc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)o1 ZINC001038842992 1230103326 /nfs/dbraw/zinc/10/33/26/1230103326.db2.gz TVBGAOIDBRJQGY-HNNXBMFYSA-N 1 2 325.368 2.164 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CC12CCOCC2 ZINC001039104005 1230309692 /nfs/dbraw/zinc/30/96/92/1230309692.db2.gz LRQUNTQGDAGUAB-OALUTQOASA-N 1 2 338.451 2.045 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CC12CCOCC2 ZINC001039104005 1230309694 /nfs/dbraw/zinc/30/96/94/1230309694.db2.gz LRQUNTQGDAGUAB-OALUTQOASA-N 1 2 338.451 2.045 20 30 EEEDLO Cc1nc(NC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC[C@H]2C)cc[nH+]1 ZINC001039862153 1230865202 /nfs/dbraw/zinc/86/52/02/1230865202.db2.gz NSNGGQVJVAIZBK-TZMCWYRMSA-N 1 2 338.415 2.195 20 30 EEEDLO O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CCC[C@@H](C1)N2CC#Cc1ccccc1 ZINC001039932822 1230912584 /nfs/dbraw/zinc/91/25/84/1230912584.db2.gz XQJCMXGUBLTRIK-BGYRXZFFSA-N 1 2 348.450 2.069 20 30 EEEDLO C=CCOc1cccnc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC#CC ZINC001039966152 1230936726 /nfs/dbraw/zinc/93/67/26/1230936726.db2.gz HPCTZMAQJONZHF-CALCHBBNSA-N 1 2 339.439 2.349 20 30 EEEDLO C=CCOc1cccnc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC#CC ZINC001039966152 1230936727 /nfs/dbraw/zinc/93/67/27/1230936727.db2.gz HPCTZMAQJONZHF-CALCHBBNSA-N 1 2 339.439 2.349 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4nnc(CC)o4)C3)C2)C1 ZINC001041657327 1231640148 /nfs/dbraw/zinc/64/01/48/1231640148.db2.gz PTJZYPBQRFECSP-LJQANCHMSA-N 1 2 344.459 2.413 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(CC[N@H+](Cc4nnc(CC)o4)C3)C2)C1 ZINC001041657327 1231640149 /nfs/dbraw/zinc/64/01/49/1231640149.db2.gz PTJZYPBQRFECSP-LJQANCHMSA-N 1 2 344.459 2.413 20 30 EEEDLO C#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)C[C@@H]21 ZINC001042142763 1231915887 /nfs/dbraw/zinc/91/58/87/1231915887.db2.gz QHZQAJZMFRUEQH-LPHOPBHVSA-N 1 2 334.423 2.246 20 30 EEEDLO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)C[C@@H]21 ZINC001042142763 1231915890 /nfs/dbraw/zinc/91/58/90/1231915890.db2.gz QHZQAJZMFRUEQH-LPHOPBHVSA-N 1 2 334.423 2.246 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nccn3C)[C@H]2C1 ZINC001042181871 1231940767 /nfs/dbraw/zinc/94/07/67/1231940767.db2.gz BBWFXHONGRIJSP-CVEARBPZSA-N 1 2 330.476 2.445 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nccn3C)[C@H]2C1 ZINC001042181871 1231940768 /nfs/dbraw/zinc/94/07/68/1231940768.db2.gz BBWFXHONGRIJSP-CVEARBPZSA-N 1 2 330.476 2.445 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nnc(C)[nH]4)[C@@H]3C2)CC1 ZINC001042215702 1231960460 /nfs/dbraw/zinc/96/04/60/1231960460.db2.gz GASCEMWLARJTER-NVXWUHKLSA-N 1 2 343.475 2.282 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4nnc(C)[nH]4)[C@@H]3C2)CC1 ZINC001042215702 1231960463 /nfs/dbraw/zinc/96/04/63/1231960463.db2.gz GASCEMWLARJTER-NVXWUHKLSA-N 1 2 343.475 2.282 20 30 EEEDLO CN(C(=O)[C@@H]1CC[C@@H](F)C1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001043666411 1232528927 /nfs/dbraw/zinc/52/89/27/1232528927.db2.gz FOIUOBJPQGEQDX-HZPDHXFCSA-N 1 2 345.418 2.370 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](Cc3ccc(COC)cc3)C2)nc1 ZINC001044199191 1232783904 /nfs/dbraw/zinc/78/39/04/1232783904.db2.gz LRZPIOFBJWBQTF-UHFFFAOYSA-N 1 2 349.434 2.166 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](CCOc3ccc(C)cc3)C2)cn1 ZINC001044203199 1232786006 /nfs/dbraw/zinc/78/60/06/1232786006.db2.gz GXMRXRQPSNNPAN-UHFFFAOYSA-N 1 2 349.434 2.207 20 30 EEEDLO CCN(CCCNC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccncc1C#N ZINC001095973173 1232839456 /nfs/dbraw/zinc/83/94/56/1232839456.db2.gz QCIHCUUBDSBTHZ-OAHLLOKOSA-N 1 2 340.431 2.134 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[NH2+][C@H](C)c2noc(C)n2)cc1 ZINC001045145172 1233536291 /nfs/dbraw/zinc/53/62/91/1233536291.db2.gz APYMHEMTNUBIJZ-DYVFJYSZSA-N 1 2 338.411 2.315 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2cnco2)CC1 ZINC001045516402 1233788977 /nfs/dbraw/zinc/78/89/77/1233788977.db2.gz SVPSNWSELOOVJS-UHFFFAOYSA-N 1 2 328.210 2.168 20 30 EEEDLO C=CCCOCC(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001096038886 1233846807 /nfs/dbraw/zinc/84/68/07/1233846807.db2.gz GMEFRSXYWOTIGK-UHFFFAOYSA-N 1 2 346.475 2.470 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nccs2)c[nH]1 ZINC001045757990 1233949809 /nfs/dbraw/zinc/94/98/09/1233949809.db2.gz PJMBDOQQDBTDNQ-CABCVRRESA-N 1 2 341.440 2.222 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2nccs2)c[nH]1 ZINC001045757990 1233949814 /nfs/dbraw/zinc/94/98/14/1233949814.db2.gz PJMBDOQQDBTDNQ-CABCVRRESA-N 1 2 341.440 2.222 20 30 EEEDLO C[C@]1(NC(=O)c2ccon2)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046168630 1234509191 /nfs/dbraw/zinc/50/91/91/1234509191.db2.gz IDEAYJUSHYWGTG-KRWDZBQOSA-N 1 2 328.347 2.080 20 30 EEEDLO C[C@]1(NC(=O)c2ccon2)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046168630 1234509196 /nfs/dbraw/zinc/50/91/96/1234509196.db2.gz IDEAYJUSHYWGTG-KRWDZBQOSA-N 1 2 328.347 2.080 20 30 EEEDLO C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001046252532 1234596321 /nfs/dbraw/zinc/59/63/21/1234596321.db2.gz CAZRBCYOBXCAKJ-KRWDZBQOSA-N 1 2 343.818 2.329 20 30 EEEDLO C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001046252532 1234596323 /nfs/dbraw/zinc/59/63/23/1234596323.db2.gz CAZRBCYOBXCAKJ-KRWDZBQOSA-N 1 2 343.818 2.329 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)c2[nH]ccc2C)C1 ZINC001046279732 1234625718 /nfs/dbraw/zinc/62/57/18/1234625718.db2.gz DAAAKRUTTPJZCY-AWEZNQCLSA-N 1 2 326.238 2.426 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)c2[nH]ccc2C)C1 ZINC001046279732 1234625720 /nfs/dbraw/zinc/62/57/20/1234625720.db2.gz DAAAKRUTTPJZCY-AWEZNQCLSA-N 1 2 326.238 2.426 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3oc(=O)[nH]c3c2)C1 ZINC001046397989 1234752583 /nfs/dbraw/zinc/75/25/83/1234752583.db2.gz QAZVWCIPVZIXCW-MRXNPFEDSA-N 1 2 335.791 2.480 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3oc(=O)[nH]c3c2)C1 ZINC001046397989 1234752585 /nfs/dbraw/zinc/75/25/85/1234752585.db2.gz QAZVWCIPVZIXCW-MRXNPFEDSA-N 1 2 335.791 2.480 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001046668203 1235054006 /nfs/dbraw/zinc/05/40/06/1235054006.db2.gz KYVAUHMEHOJCLI-QGZVFWFLSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001046668203 1235054010 /nfs/dbraw/zinc/05/40/10/1235054010.db2.gz KYVAUHMEHOJCLI-QGZVFWFLSA-N 1 2 345.834 2.214 20 30 EEEDLO Cc1[nH]c(/C=C/C(=O)c2ccc(OCC(=O)N(C)C)cc2)[nH+]c1C ZINC000901435562 1235794334 /nfs/dbraw/zinc/79/43/34/1235794334.db2.gz DNYWWWOAKIDYIA-MDZDMXLPSA-N 1 2 327.384 2.390 20 30 EEEDLO C=CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1)C2 ZINC001047708521 1236434530 /nfs/dbraw/zinc/43/45/30/1236434530.db2.gz PCKCTUVGXGHGKA-ULQDDVLXSA-N 1 2 344.459 2.125 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccccc3)n2CC(=C)C)CC1 ZINC000802559709 1237654222 /nfs/dbraw/zinc/65/42/22/1237654222.db2.gz VWLUOGHUYLFXKJ-UHFFFAOYSA-N 1 2 349.482 2.395 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001056049238 1238639671 /nfs/dbraw/zinc/63/96/71/1238639671.db2.gz UWMVUBMJTPNQND-IRXDYDNUSA-N 1 2 344.459 2.032 20 30 EEEDLO N#Cc1ccc(F)c(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC001413587497 1249808192 /nfs/dbraw/zinc/80/81/92/1249808192.db2.gz WAIKLMKGVNMDLG-ZDUSSCGKSA-N 1 2 325.347 2.493 20 30 EEEDLO CN(c1cccc(F)c1C#N)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001056907065 1240639090 /nfs/dbraw/zinc/63/90/90/1240639090.db2.gz XAUWMXYBDKHIPW-CYBMUJFWSA-N 1 2 341.390 2.090 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ncc(C2CC2)o1 ZINC001049380345 1240738874 /nfs/dbraw/zinc/73/88/74/1240738874.db2.gz DFHVAXDMRKSSGK-VHDGCEQUSA-N 1 2 328.416 2.277 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ncc(C2CC2)o1 ZINC001049380345 1240738881 /nfs/dbraw/zinc/73/88/81/1240738881.db2.gz DFHVAXDMRKSSGK-VHDGCEQUSA-N 1 2 328.416 2.277 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1CC12CCN(c1cc[nH+]c(C)n1)CC2 ZINC001096514928 1240800359 /nfs/dbraw/zinc/80/03/59/1240800359.db2.gz JVQDUIPWIWLSJD-INIZCTEOSA-N 1 2 326.444 2.454 20 30 EEEDLO N#Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2cscn2)[nH]1 ZINC001049424444 1240871874 /nfs/dbraw/zinc/87/18/74/1240871874.db2.gz FASCSDQQQKDOGX-HOTGVXAUSA-N 1 2 341.440 2.222 20 30 EEEDLO N#Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2cscn2)[nH]1 ZINC001049424444 1240871879 /nfs/dbraw/zinc/87/18/79/1240871879.db2.gz FASCSDQQQKDOGX-HOTGVXAUSA-N 1 2 341.440 2.222 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)co1 ZINC001049424959 1240875638 /nfs/dbraw/zinc/87/56/38/1240875638.db2.gz IVDDOFZOOYZYBD-IRXDYDNUSA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)co1 ZINC001049424959 1240875646 /nfs/dbraw/zinc/87/56/46/1240875646.db2.gz IVDDOFZOOYZYBD-IRXDYDNUSA-N 1 2 339.399 2.062 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2Cc3cccnc3C2)CC1 ZINC001001407856 1242212990 /nfs/dbraw/zinc/21/29/90/1242212990.db2.gz FVHCQGFPCJCXBV-MRXNPFEDSA-N 1 2 331.847 2.297 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2Cc3cccnc3C2)CC1 ZINC001001407856 1242213001 /nfs/dbraw/zinc/21/30/01/1242213001.db2.gz FVHCQGFPCJCXBV-MRXNPFEDSA-N 1 2 331.847 2.297 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)CC1(C)C ZINC001073340528 1242360567 /nfs/dbraw/zinc/36/05/67/1242360567.db2.gz QQBHCKWBOMILES-HNNXBMFYSA-N 1 2 346.475 2.062 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001073467183 1242522168 /nfs/dbraw/zinc/52/21/68/1242522168.db2.gz SFBMSXMVJACYAR-HUUCEWRRSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001073518494 1242549555 /nfs/dbraw/zinc/54/95/55/1242549555.db2.gz QBZOJIRKWVHKFS-HNNXBMFYSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001073518671 1242550077 /nfs/dbraw/zinc/55/00/77/1242550077.db2.gz VDMTUKWZZMFOOE-HNNXBMFYSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3coc(OCC)n3)[C@@H]2C1 ZINC001050085569 1242821598 /nfs/dbraw/zinc/82/15/98/1242821598.db2.gz HRTIQTPOLDSFMU-GXTWGEPZSA-N 1 2 339.823 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3coc(OCC)n3)[C@@H]2C1 ZINC001050085569 1242821615 /nfs/dbraw/zinc/82/16/15/1242821615.db2.gz HRTIQTPOLDSFMU-GXTWGEPZSA-N 1 2 339.823 2.362 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC001073974382 1242840454 /nfs/dbraw/zinc/84/04/54/1242840454.db2.gz XFFKYYUHYHQMQY-GOEBONIOSA-N 1 2 346.479 2.006 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC001073974382 1242840466 /nfs/dbraw/zinc/84/04/66/1242840466.db2.gz XFFKYYUHYHQMQY-GOEBONIOSA-N 1 2 346.479 2.006 20 30 EEEDLO Cc1nc(N[C@@H](CNC(=O)C#CC2CC2)C2CC2)c2c([nH+]1)CCCC2 ZINC001096654929 1243051622 /nfs/dbraw/zinc/05/16/22/1243051622.db2.gz ZZTPTKWXCOQMPP-SFHVURJKSA-N 1 2 338.455 2.384 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)n(C)n1 ZINC001096855681 1243376091 /nfs/dbraw/zinc/37/60/91/1243376091.db2.gz KQZRLYXMBPYSIT-QRVBRYPASA-N 1 2 348.450 2.115 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)n(C)n1 ZINC001096855681 1243376097 /nfs/dbraw/zinc/37/60/97/1243376097.db2.gz KQZRLYXMBPYSIT-QRVBRYPASA-N 1 2 348.450 2.115 20 30 EEEDLO Cc1nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC(C)C)c(C)c(C)[nH+]1 ZINC001096892615 1243427531 /nfs/dbraw/zinc/42/75/31/1243427531.db2.gz LXUXHWPLOSJJTN-CALCHBBNSA-N 1 2 326.444 2.241 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001057415584 1243682207 /nfs/dbraw/zinc/68/22/07/1243682207.db2.gz YWWSBQFCJNEIIQ-GOSISDBHSA-N 1 2 342.447 2.369 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050579512 1243879762 /nfs/dbraw/zinc/87/97/62/1243879762.db2.gz BZJRKGNNEQZZTD-LSDHHAIUSA-N 1 2 346.475 2.298 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CCC2=CCCCC2)[nH]1 ZINC001050872711 1244528318 /nfs/dbraw/zinc/52/83/18/1244528318.db2.gz RQUWPKIFFRQFFZ-QGZVFWFLSA-N 1 2 342.443 2.207 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CCC2=CCCCC2)[nH]1 ZINC001050872711 1244528325 /nfs/dbraw/zinc/52/83/25/1244528325.db2.gz RQUWPKIFFRQFFZ-QGZVFWFLSA-N 1 2 342.443 2.207 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCN1c1ccccc1 ZINC001050954104 1244716708 /nfs/dbraw/zinc/71/67/08/1244716708.db2.gz QIQBSMWCNSTTLP-MOPGFXCFSA-N 1 2 343.471 2.049 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCN1c1ccccc1 ZINC001050954104 1244716717 /nfs/dbraw/zinc/71/67/17/1244716717.db2.gz QIQBSMWCNSTTLP-MOPGFXCFSA-N 1 2 343.471 2.049 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(OC)c(F)c1 ZINC001050961984 1244740634 /nfs/dbraw/zinc/74/06/34/1244740634.db2.gz ZCDXCJXGRUUBDA-OAHLLOKOSA-N 1 2 336.407 2.231 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(OC)c(F)c1 ZINC001050961984 1244740641 /nfs/dbraw/zinc/74/06/41/1244740641.db2.gz ZCDXCJXGRUUBDA-OAHLLOKOSA-N 1 2 336.407 2.231 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3nnnn3C(C)C)CC2)C1 ZINC001052691209 1244761720 /nfs/dbraw/zinc/76/17/20/1244761720.db2.gz SNHLQRYOQMLIFX-HNNXBMFYSA-N 1 2 346.479 2.081 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3nnnn3C(C)C)CC2)C1 ZINC001052691209 1244761729 /nfs/dbraw/zinc/76/17/29/1244761729.db2.gz SNHLQRYOQMLIFX-HNNXBMFYSA-N 1 2 346.479 2.081 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1nccc2ccccc21 ZINC001051089233 1244964396 /nfs/dbraw/zinc/96/43/96/1244964396.db2.gz KSRUVDPWQGZLLA-MRXNPFEDSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1nccc2ccccc21 ZINC001051089233 1244964406 /nfs/dbraw/zinc/96/44/06/1244964406.db2.gz KSRUVDPWQGZLLA-MRXNPFEDSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc2c1OCC2 ZINC001051134396 1245026745 /nfs/dbraw/zinc/02/67/45/1245026745.db2.gz UYPSYNKVYYOUAI-MRXNPFEDSA-N 1 2 330.428 2.018 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc2c1OCC2 ZINC001051134396 1245026753 /nfs/dbraw/zinc/02/67/53/1245026753.db2.gz UYPSYNKVYYOUAI-MRXNPFEDSA-N 1 2 330.428 2.018 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cn(C)nc1C(C)(C)C ZINC001051170107 1245083879 /nfs/dbraw/zinc/08/38/79/1245083879.db2.gz MHPIKFADDHNEDR-OAHLLOKOSA-N 1 2 348.491 2.114 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(C)nc1C(C)(C)C ZINC001051170107 1245083882 /nfs/dbraw/zinc/08/38/82/1245083882.db2.gz MHPIKFADDHNEDR-OAHLLOKOSA-N 1 2 348.491 2.114 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1sccc1COC ZINC001051208819 1245394216 /nfs/dbraw/zinc/39/42/16/1245394216.db2.gz CJPVGMUYKKQZPT-OAHLLOKOSA-N 1 2 338.473 2.291 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1sccc1COC ZINC001051208819 1245394220 /nfs/dbraw/zinc/39/42/20/1245394220.db2.gz CJPVGMUYKKQZPT-OAHLLOKOSA-N 1 2 338.473 2.291 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnn(C(C)(C)C)c1CC ZINC001051251131 1245440143 /nfs/dbraw/zinc/44/01/43/1245440143.db2.gz ZRJOZVOPSPGFPL-HNNXBMFYSA-N 1 2 348.491 2.207 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnn(C(C)(C)C)c1CC ZINC001051251131 1245440145 /nfs/dbraw/zinc/44/01/45/1245440145.db2.gz ZRJOZVOPSPGFPL-HNNXBMFYSA-N 1 2 348.491 2.207 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1csc(CC(C)C)n1 ZINC001051266643 1245457010 /nfs/dbraw/zinc/45/70/10/1245457010.db2.gz SVYJSQIEFXHILL-AWEZNQCLSA-N 1 2 337.489 2.348 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1csc(CC(C)C)n1 ZINC001051266643 1245457013 /nfs/dbraw/zinc/45/70/13/1245457013.db2.gz SVYJSQIEFXHILL-AWEZNQCLSA-N 1 2 337.489 2.348 20 30 EEEDLO C=CCCOCC(=O)NCCN(CCC)c1nc(C)[nH+]c(C)c1C ZINC001101154714 1245459526 /nfs/dbraw/zinc/45/95/26/1245459526.db2.gz VCHSXZIJHYWQEB-UHFFFAOYSA-N 1 2 334.464 2.327 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+](Cc3cn(C(C)(C)C)nn3)C[C@@]2(C)C1 ZINC001101167518 1245474917 /nfs/dbraw/zinc/47/49/17/1245474917.db2.gz HZESDNPTXPRHGO-BEFAXECRSA-N 1 2 345.491 2.280 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@H+](Cc3cn(C(C)(C)C)nn3)C[C@@]2(C)C1 ZINC001101167518 1245474920 /nfs/dbraw/zinc/47/49/20/1245474920.db2.gz HZESDNPTXPRHGO-BEFAXECRSA-N 1 2 345.491 2.280 20 30 EEEDLO Cc1nnc([C@@H](C)[N@@H+]2C[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@]3(C)C2)[nH]1 ZINC001101232448 1245549709 /nfs/dbraw/zinc/54/97/09/1245549709.db2.gz VICMHPXLQVXCKB-MUKKUYKPSA-N 1 2 343.475 2.004 20 30 EEEDLO Cc1nnc([C@@H](C)[N@H+]2C[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@]3(C)C2)[nH]1 ZINC001101232448 1245549716 /nfs/dbraw/zinc/54/97/16/1245549716.db2.gz VICMHPXLQVXCKB-MUKKUYKPSA-N 1 2 343.475 2.004 20 30 EEEDLO C=CCCC1(C(=O)N2CC[C@@H]([C@@H](C)NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001051531525 1245840615 /nfs/dbraw/zinc/84/06/15/1245840615.db2.gz ACLIZGUMLAUIDS-HUUCEWRRSA-N 1 2 344.459 2.052 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C(C)(F)F)CC1)c1nccn12 ZINC001101644419 1246075910 /nfs/dbraw/zinc/07/59/10/1246075910.db2.gz KSWCNVMOPIOSKU-GFCCVEGCSA-N 1 2 336.386 2.076 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@H](C)c1ccncc1)CCO2 ZINC001053307007 1246165015 /nfs/dbraw/zinc/16/50/15/1246165015.db2.gz ZLNFDAXQOOXAET-INIZCTEOSA-N 1 2 329.444 2.065 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001098052860 1250238687 /nfs/dbraw/zinc/23/86/87/1250238687.db2.gz PPXWNNQRRRDHEF-KURKYZTESA-N 1 2 349.438 2.434 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001098052860 1250238696 /nfs/dbraw/zinc/23/86/96/1250238696.db2.gz PPXWNNQRRRDHEF-KURKYZTESA-N 1 2 349.438 2.434 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)CCO2 ZINC001053397139 1246282342 /nfs/dbraw/zinc/28/23/42/1246282342.db2.gz MEDBTXPYFUFGJL-ZIAGYGMSSA-N 1 2 346.393 2.454 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)C3(CF)CCC3)C2)CC1 ZINC001052086434 1246464957 /nfs/dbraw/zinc/46/49/57/1246464957.db2.gz 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1247229319 /nfs/dbraw/zinc/22/93/19/1247229319.db2.gz IQPQSIYEUJPOAJ-QGZVFWFLSA-N 1 2 335.407 2.342 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C2CC2)on1 ZINC001054047632 1247229328 /nfs/dbraw/zinc/22/93/28/1247229328.db2.gz IQPQSIYEUJPOAJ-QGZVFWFLSA-N 1 2 335.407 2.342 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(OC)ccn1 ZINC001054049238 1247232609 /nfs/dbraw/zinc/23/26/09/1247232609.db2.gz RYMXVGJWRQOPKS-SFHVURJKSA-N 1 2 349.434 2.270 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(OC)ccn1 ZINC001054049238 1247232615 /nfs/dbraw/zinc/23/26/15/1247232615.db2.gz RYMXVGJWRQOPKS-SFHVURJKSA-N 1 2 349.434 2.270 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnn(CCC)c1 ZINC001054054062 1247247259 /nfs/dbraw/zinc/24/72/59/1247247259.db2.gz JLFSGPOWYOLYNA-LJQANCHMSA-N 1 2 336.439 2.083 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnn(CCC)c1 ZINC001054054062 1247247270 /nfs/dbraw/zinc/24/72/70/1247247270.db2.gz JLFSGPOWYOLYNA-LJQANCHMSA-N 1 2 336.439 2.083 20 30 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ZINC001054269489 1247954018 /nfs/dbraw/zinc/95/40/18/1247954018.db2.gz DRJKKQKZKTZGOB-HNNXBMFYSA-N 1 2 348.450 2.344 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCO[C@@H](CC)C3)cc2C1 ZINC001054289091 1248020383 /nfs/dbraw/zinc/02/03/83/1248020383.db2.gz UZJLNMNSKDJBDT-LPHOPBHVSA-N 1 2 326.440 2.457 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCO[C@@H](CC)C3)cc2C1 ZINC001054289091 1248020389 /nfs/dbraw/zinc/02/03/89/1248020389.db2.gz UZJLNMNSKDJBDT-LPHOPBHVSA-N 1 2 326.440 2.457 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3COc4ccccc43)cc2C1 ZINC001054293190 1248035376 /nfs/dbraw/zinc/03/53/76/1248035376.db2.gz TUNXRKNVKWXUIN-IBGZPJMESA-N 1 2 332.403 2.428 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3COc4ccccc43)cc2C1 ZINC001054293190 1248035383 /nfs/dbraw/zinc/03/53/83/1248035383.db2.gz TUNXRKNVKWXUIN-IBGZPJMESA-N 1 2 332.403 2.428 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3c1)C2 ZINC001097944743 1248461955 /nfs/dbraw/zinc/46/19/55/1248461955.db2.gz 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C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3c(C)coc3C)c2C1 ZINC001069859726 1253359392 /nfs/dbraw/zinc/35/93/92/1253359392.db2.gz KQZPAFAHERWZED-UHFFFAOYSA-N 1 2 328.416 2.415 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3c(C)coc3C)c2C1 ZINC001069859726 1253359395 /nfs/dbraw/zinc/35/93/95/1253359395.db2.gz KQZPAFAHERWZED-UHFFFAOYSA-N 1 2 328.416 2.415 20 30 EEEDLO Cc1nc(C[N@H+]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)CC[C@H]2C)oc1C ZINC001071431672 1254174116 /nfs/dbraw/zinc/17/41/16/1254174116.db2.gz UNUGDVCSHLVNGO-IAQYHMDHSA-N 1 2 341.415 2.274 20 30 EEEDLO Cc1nc(C[N@@H+]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)CC[C@H]2C)oc1C ZINC001071431672 1254174127 /nfs/dbraw/zinc/17/41/27/1254174127.db2.gz UNUGDVCSHLVNGO-IAQYHMDHSA-N 1 2 341.415 2.274 20 30 EEEDLO CCC(CC)n1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC001072551562 1255233934 /nfs/dbraw/zinc/23/39/34/1255233934.db2.gz HRHANJLURXYJAQ-HNNXBMFYSA-N 1 2 343.475 2.438 20 30 EEEDLO CCC(CC)n1ccc(C[N@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC001072551562 1255233938 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338.411 2.484 20 30 EEEDLO COCCOc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1OCCOC ZINC001233090405 1304358277 /nfs/dbraw/zinc/35/82/77/1304358277.db2.gz WAZIWWYGVCVWPH-LJQANCHMSA-N 1 2 348.443 2.473 20 30 EEEDLO COCCOc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1OCCOC ZINC001233090405 1304358283 /nfs/dbraw/zinc/35/82/83/1304358283.db2.gz WAZIWWYGVCVWPH-LJQANCHMSA-N 1 2 348.443 2.473 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCc3onc(Cn4cccn4)c3C2)c(O)c1 ZINC001233385559 1304453582 /nfs/dbraw/zinc/45/35/82/1304453582.db2.gz MFDQEMVZILKGIL-UHFFFAOYSA-N 1 2 335.367 2.055 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCc3onc(Cn4cccn4)c3C2)c(O)c1 ZINC001233385559 1304453584 /nfs/dbraw/zinc/45/35/84/1304453584.db2.gz MFDQEMVZILKGIL-UHFFFAOYSA-N 1 2 335.367 2.055 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)CC ZINC001233948628 1304654736 /nfs/dbraw/zinc/65/47/36/1304654736.db2.gz ZSVNHUGLWVOKSB-SJORKVTESA-N 1 2 335.492 2.156 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)CC ZINC001233948628 1304654738 /nfs/dbraw/zinc/65/47/38/1304654738.db2.gz ZSVNHUGLWVOKSB-SJORKVTESA-N 1 2 335.492 2.156 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CN(C)C(=O)CC(C)(C)C2CC2)C1=O ZINC001234113290 1304747822 /nfs/dbraw/zinc/74/78/22/1304747822.db2.gz VALYUVHYINOJSY-SJORKVTESA-N 1 2 347.503 2.132 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CN(C)C(=O)CC(C)(C)C2CC2)C1=O ZINC001234113290 1304747826 /nfs/dbraw/zinc/74/78/26/1304747826.db2.gz VALYUVHYINOJSY-SJORKVTESA-N 1 2 347.503 2.132 20 30 EEEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccnc(Cl)c3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234209503 1304800987 /nfs/dbraw/zinc/80/09/87/1304800987.db2.gz CQTJTODHHQCNRQ-NTBMCGCHSA-N 1 2 345.624 2.489 20 30 EEEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccnc(Cl)c3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234209503 1304800996 /nfs/dbraw/zinc/80/09/96/1304800996.db2.gz CQTJTODHHQCNRQ-NTBMCGCHSA-N 1 2 345.624 2.489 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(NC(=O)N(C)C)ccc1C ZINC000798084016 1304916394 /nfs/dbraw/zinc/91/63/94/1304916394.db2.gz 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1 2 334.301 2.419 20 30 EEEDLO N#Cc1ccc2nc(C[N@H+]3CCCC[C@@](O)(C(F)(F)F)C3)cn2c1 ZINC001237609376 1306000168 /nfs/dbraw/zinc/00/01/68/1306000168.db2.gz QFIMTDUGZVYOPE-HNNXBMFYSA-N 1 2 338.333 2.485 20 30 EEEDLO N#Cc1ccc2nc(C[N@@H+]3CCCC[C@@](O)(C(F)(F)F)C3)cn2c1 ZINC001237609376 1306000182 /nfs/dbraw/zinc/00/01/82/1306000182.db2.gz QFIMTDUGZVYOPE-HNNXBMFYSA-N 1 2 338.333 2.485 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccnc(OC(F)F)c3)CC2)c1 ZINC001237616513 1306007098 /nfs/dbraw/zinc/00/70/98/1306007098.db2.gz PEXDKKJTRMJNPM-UHFFFAOYSA-N 1 2 345.353 2.272 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001117812331 1306172955 /nfs/dbraw/zinc/17/29/55/1306172955.db2.gz ICTSLUMWUSBMGC-XHSDSOJGSA-N 1 2 332.448 2.118 20 30 EEEDLO CC(C)CC[N@@H+]1Cc2ccnn2CC[C@@H]1C(=O)NC1(C#N)CCC1 ZINC001278179601 1306194428 /nfs/dbraw/zinc/19/44/28/1306194428.db2.gz UXYZMLABUMDPCU-MRXNPFEDSA-N 1 2 329.448 2.066 20 30 EEEDLO CC(C)CC[N@H+]1Cc2ccnn2CC[C@@H]1C(=O)NC1(C#N)CCC1 ZINC001278179601 1306194449 /nfs/dbraw/zinc/19/44/49/1306194449.db2.gz UXYZMLABUMDPCU-MRXNPFEDSA-N 1 2 329.448 2.066 20 30 EEEDLO COc1cc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CC(CC#N)C2)ccc1F ZINC001278332837 1309518196 /nfs/dbraw/zinc/51/81/96/1309518196.db2.gz ZEGWMXRQWRDNNV-BEFAXECRSA-N 1 2 343.402 2.171 20 30 EEEDLO COc1cc(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)N2CC(CC#N)C2)ccc1F ZINC001278332837 1309518203 /nfs/dbraw/zinc/51/82/03/1309518203.db2.gz ZEGWMXRQWRDNNV-BEFAXECRSA-N 1 2 343.402 2.171 20 30 EEEDLO C=CCOCC(=O)N[C@@]12CCC[C@@H]1N(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001123387734 1310543674 /nfs/dbraw/zinc/54/36/74/1310543674.db2.gz ZMKGBHHHHNSEBZ-QFBILLFUSA-N 1 2 344.459 2.222 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001123598019 1310632967 /nfs/dbraw/zinc/63/29/67/1310632967.db2.gz UICMJGZCULXFNI-NVXWUHKLSA-N 1 2 346.475 2.468 20 30 EEEDLO N#Cc1ccc(NC[C@@H]2CC[C@@H](NC(=O)CCc3[nH]cc[nH+]3)C2)nc1 ZINC001123805480 1310711785 /nfs/dbraw/zinc/71/17/85/1310711785.db2.gz 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CCOC(=O)c1ccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)[nH]1 ZINC001140689944 1314933895 /nfs/dbraw/zinc/93/38/95/1314933895.db2.gz WHSVGCKSGAXDPQ-UHFFFAOYSA-N 1 2 338.411 2.385 20 30 EEEDLO C=CCONC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000838709154 1315184884 /nfs/dbraw/zinc/18/48/84/1315184884.db2.gz QOLUENMTCXLCLU-HUUCEWRRSA-N 1 2 339.823 2.129 20 30 EEEDLO C=CCONC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000838709154 1315184887 /nfs/dbraw/zinc/18/48/87/1315184887.db2.gz QOLUENMTCXLCLU-HUUCEWRRSA-N 1 2 339.823 2.129 20 30 EEEDLO C#CCCCC(=O)NC[C@H]1C[N@H+](Cc2nc(C)c(C)s2)CCCO1 ZINC001149640014 1316004030 /nfs/dbraw/zinc/00/40/30/1316004030.db2.gz PJBXMZSCFXXUSJ-INIZCTEOSA-N 1 2 349.500 2.271 20 30 EEEDLO C#CCCCC(=O)NC[C@H]1C[N@@H+](Cc2nc(C)c(C)s2)CCCO1 ZINC001149640014 1316004033 /nfs/dbraw/zinc/00/40/33/1316004033.db2.gz PJBXMZSCFXXUSJ-INIZCTEOSA-N 1 2 349.500 2.271 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H]1C[N@H+](Cc2cnc(C)cn2)CCCO1 ZINC001149773476 1316042289 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C=C[C@H](C(=O)NCC[NH2+]Cc1nc(CC(C)C)no1)c1ccccc1 ZINC001151990390 1316617400 /nfs/dbraw/zinc/61/74/00/1316617400.db2.gz HFOXUQGPYJOEBX-INIZCTEOSA-N 1 2 342.443 2.444 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)Cc1cncs1 ZINC001153936885 1316919879 /nfs/dbraw/zinc/91/98/79/1316919879.db2.gz MYYNJOZBIGVYOV-LLVKDONJSA-N 1 2 346.294 2.421 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)Cc1cncs1 ZINC001153936885 1316919877 /nfs/dbraw/zinc/91/98/77/1316919877.db2.gz MYYNJOZBIGVYOV-LLVKDONJSA-N 1 2 346.294 2.421 20 30 EEEDLO COC(=O)C1(CNc2[nH+]ccc3ccc(C#N)cc32)CCOCC1 ZINC001154674462 1317259688 /nfs/dbraw/zinc/25/96/88/1317259688.db2.gz PKMCTDAQQIFJJD-UHFFFAOYSA-N 1 2 325.368 2.488 20 30 EEEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC001251985169 1317532837 /nfs/dbraw/zinc/53/28/37/1317532837.db2.gz GMYRDTQBPGLGDL-ROUUACIJSA-N 1 2 342.443 2.133 20 30 EEEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1C[C@H](O)c1ccccc1 ZINC001251985169 1317532842 /nfs/dbraw/zinc/53/28/42/1317532842.db2.gz GMYRDTQBPGLGDL-ROUUACIJSA-N 1 2 342.443 2.133 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(C)c(C)o1 ZINC001155321104 1317552164 /nfs/dbraw/zinc/55/21/64/1317552164.db2.gz CUBLDRMNRCKGHX-WQVCFCJDSA-N 1 2 335.448 2.209 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(C)c(C)o1 ZINC001155321104 1317552169 /nfs/dbraw/zinc/55/21/69/1317552169.db2.gz CUBLDRMNRCKGHX-WQVCFCJDSA-N 1 2 335.448 2.209 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C)on1 ZINC001155757346 1317725181 /nfs/dbraw/zinc/72/51/81/1317725181.db2.gz JQDRLBVXCUDHHU-COXVUDFISA-N 1 2 335.448 2.291 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C)on1 ZINC001155757346 1317725182 /nfs/dbraw/zinc/72/51/82/1317725182.db2.gz JQDRLBVXCUDHHU-COXVUDFISA-N 1 2 335.448 2.291 20 30 EEEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1Cc2nnn(C)c2[C@@H](COC)C1 ZINC001253237485 1317805418 /nfs/dbraw/zinc/80/54/18/1317805418.db2.gz ZKRSHBOBNSWJEZ-HZPDHXFCSA-N 1 2 336.480 2.248 20 30 EEEDLO C=CCCCCCC[C@@H](O)C[N@H+]1Cc2nnn(C)c2[C@@H](COC)C1 ZINC001253237485 1317805428 /nfs/dbraw/zinc/80/54/28/1317805428.db2.gz ZKRSHBOBNSWJEZ-HZPDHXFCSA-N 1 2 336.480 2.248 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1csc(C)n1 ZINC001157217353 1318495413 /nfs/dbraw/zinc/49/54/13/1318495413.db2.gz OEPUGVXCCOWFTE-OLZOCXBDSA-N 1 2 325.478 2.369 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1csc(C)n1 ZINC001157217353 1318495424 /nfs/dbraw/zinc/49/54/24/1318495424.db2.gz OEPUGVXCCOWFTE-OLZOCXBDSA-N 1 2 325.478 2.369 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccn(C)n1 ZINC001157648531 1318766811 /nfs/dbraw/zinc/76/68/11/1318766811.db2.gz LOTVKILFCFAZRB-FUHWJXTLSA-N 1 2 348.491 2.214 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccn(C)n1 ZINC001157648531 1318766819 /nfs/dbraw/zinc/76/68/19/1318766819.db2.gz LOTVKILFCFAZRB-FUHWJXTLSA-N 1 2 348.491 2.214 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccn(CC)n1 ZINC001157876143 1318912029 /nfs/dbraw/zinc/91/20/29/1318912029.db2.gz IRBUAKANDANSPR-IEBWSBKVSA-N 1 2 348.491 2.043 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccn(CC)n1 ZINC001157876143 1318912033 /nfs/dbraw/zinc/91/20/33/1318912033.db2.gz IRBUAKANDANSPR-IEBWSBKVSA-N 1 2 348.491 2.043 20 30 EEEDLO C=CCOC(=O)N[C@@H]1CCCN(c2nc(NC(C)C)c(OC)c[nH+]2)C1 ZINC001158906514 1319499275 /nfs/dbraw/zinc/49/92/75/1319499275.db2.gz DDGOHXQAQZZWPW-CYBMUJFWSA-N 1 2 349.435 2.187 20 30 EEEDLO N#CCSCC(=O)NCCC1=CC[N@H+](Cc2cscn2)CC1 ZINC001159332780 1319744351 /nfs/dbraw/zinc/74/43/51/1319744351.db2.gz ONANLVLQLMDNGY-UHFFFAOYSA-N 1 2 336.486 2.038 20 30 EEEDLO N#CCSCC(=O)NCCC1=CC[N@@H+](Cc2cscn2)CC1 ZINC001159332780 1319744357 /nfs/dbraw/zinc/74/43/57/1319744357.db2.gz ONANLVLQLMDNGY-UHFFFAOYSA-N 1 2 336.486 2.038 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)[C@H](C)C#N)CC1 ZINC001159586920 1319901639 /nfs/dbraw/zinc/90/16/39/1319901639.db2.gz FCVGKBXCBBNVLQ-LLVKDONJSA-N 1 2 326.238 2.193 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)[C@H](C)C#N)CC1 ZINC001159586920 1319901641 /nfs/dbraw/zinc/90/16/41/1319901641.db2.gz FCVGKBXCBBNVLQ-LLVKDONJSA-N 1 2 326.238 2.193 20 30 EEEDLO CC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)CC1 ZINC001160714408 1320243473 /nfs/dbraw/zinc/24/34/73/1320243473.db2.gz MDFNICGZQFRRFF-DNVCBOLYSA-N 1 2 340.471 2.237 20 30 EEEDLO CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)CC1 ZINC001160714408 1320243476 /nfs/dbraw/zinc/24/34/76/1320243476.db2.gz MDFNICGZQFRRFF-DNVCBOLYSA-N 1 2 340.471 2.237 20 30 EEEDLO N#Cc1ccc2cc[nH+]c(N3CCOC[C@](O)(C(F)(F)F)C3)c2c1 ZINC001164293140 1321341449 /nfs/dbraw/zinc/34/14/49/1321341449.db2.gz LCHCZVDVULWWSS-HNNXBMFYSA-N 1 2 337.301 2.236 20 30 EEEDLO CC(C)(C)c1nc(C[NH2+]CC2(CCNC(=O)C#CC3CC3)CC2)no1 ZINC001164487285 1321393320 /nfs/dbraw/zinc/39/33/20/1321393320.db2.gz ODGLAZKQAAPWRW-UHFFFAOYSA-N 1 2 344.459 2.157 20 30 EEEDLO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[NH2+]C[C@H]2C#N)cc1F ZINC001164652841 1321442127 /nfs/dbraw/zinc/44/21/27/1321442127.db2.gz TXNAESZRKANANK-LLVKDONJSA-N 1 2 342.765 2.110 20 30 EEEDLO N#CC[C@H]1CCCN(c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)C1 ZINC001166740600 1321778703 /nfs/dbraw/zinc/77/87/03/1321778703.db2.gz BDUNWGHMFCWPRR-OAHLLOKOSA-N 1 2 341.463 2.202 20 30 EEEDLO N#CC[C@H]1CCCN(c2nc(N3CCCC3)nc(N3CCCC3)[nH+]2)C1 ZINC001166740600 1321778705 /nfs/dbraw/zinc/77/87/05/1321778705.db2.gz BDUNWGHMFCWPRR-OAHLLOKOSA-N 1 2 341.463 2.202 20 30 EEEDLO CCOC[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)Cc2nn(CC)cc21 ZINC001207104230 1323850393 /nfs/dbraw/zinc/85/03/93/1323850393.db2.gz OUDLCTLHASIOAL-OAHLLOKOSA-N 1 2 327.432 2.249 20 30 EEEDLO CCOC[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)Cc2nn(CC)cc21 ZINC001207104230 1323850398 /nfs/dbraw/zinc/85/03/98/1323850398.db2.gz OUDLCTLHASIOAL-OAHLLOKOSA-N 1 2 327.432 2.249 20 30 EEEDLO C#CCCCCC(=O)N1CCC[C@H]([NH2+]Cc2nc([C@H](C)OC)no2)C1 ZINC001207860695 1324184295 /nfs/dbraw/zinc/18/42/95/1324184295.db2.gz PANBSZISENOFSS-GJZGRUSLSA-N 1 2 348.447 2.051 20 30 EEEDLO C=CCOC[C@@H]1C[N@H+](C[C@@H]2CCC=CO2)Cc2nnn(CC3CC3)c21 ZINC001208877728 1324702418 /nfs/dbraw/zinc/70/24/18/1324702418.db2.gz CANJDLLQHXYWOP-IRXDYDNUSA-N 1 2 344.459 2.483 20 30 EEEDLO C=CCOC[C@@H]1C[N@@H+](C[C@@H]2CCC=CO2)Cc2nnn(CC3CC3)c21 ZINC001208877728 1324702423 /nfs/dbraw/zinc/70/24/23/1324702423.db2.gz CANJDLLQHXYWOP-IRXDYDNUSA-N 1 2 344.459 2.483 20 30 EEEDLO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccon3)CC2)cc1 ZINC001209570050 1324974551 /nfs/dbraw/zinc/97/45/51/1324974551.db2.gz MPWDXLYKMVWLJL-UHFFFAOYSA-N 1 2 325.372 2.332 20 30 EEEDLO C[N@H+](CCCSCC#N)Cc1nnc2n1C[C@H](C(F)(F)F)CC2 ZINC001308070382 1331561398 /nfs/dbraw/zinc/56/13/98/1331561398.db2.gz HFHMZCGJAOIPNI-LLVKDONJSA-N 1 2 347.410 2.481 20 30 EEEDLO C[N@@H+](CCCSCC#N)Cc1nnc2n1C[C@H](C(F)(F)F)CC2 ZINC001308070382 1331561401 /nfs/dbraw/zinc/56/14/01/1331561401.db2.gz HFHMZCGJAOIPNI-LLVKDONJSA-N 1 2 347.410 2.481 20 30 EEEDLO C=CCC1(O)C[NH+](C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC001308979934 1331611913 /nfs/dbraw/zinc/61/19/13/1331611913.db2.gz JUJUNAIOYWBMNT-GFCCVEGCSA-N 1 2 332.391 2.254 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1cnn(CC)c1 ZINC001339528396 1331637774 /nfs/dbraw/zinc/63/77/74/1331637774.db2.gz JVEGIDHMSUJBDY-INIZCTEOSA-N 1 2 343.479 2.474 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)Cc1cnn(CC)c1 ZINC001339528396 1331637777 /nfs/dbraw/zinc/63/77/77/1331637777.db2.gz JVEGIDHMSUJBDY-INIZCTEOSA-N 1 2 343.479 2.474 20 30 EEEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001319657090 1332735362 /nfs/dbraw/zinc/73/53/62/1332735362.db2.gz SGLSXMGFKHXLBO-UHFFFAOYSA-N 1 2 345.468 2.409 20 30 EEEDLO C#CCOCC[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001319657090 1332735363 /nfs/dbraw/zinc/73/53/63/1332735363.db2.gz SGLSXMGFKHXLBO-UHFFFAOYSA-N 1 2 345.468 2.409 20 30 EEEDLO C#CCOCC[N@@H+](C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC001320281074 1332856286 /nfs/dbraw/zinc/85/62/86/1332856286.db2.gz BJOJLONOHZXLPJ-UHFFFAOYSA-N 1 2 325.290 2.236 20 30 EEEDLO C#CCOCC[N@H+](C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC001320281074 1332856288 /nfs/dbraw/zinc/85/62/88/1332856288.db2.gz BJOJLONOHZXLPJ-UHFFFAOYSA-N 1 2 325.290 2.236 20 30 EEEDLO C#CCN(CC1CC1)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001329580887 1334678275 /nfs/dbraw/zinc/67/82/75/1334678275.db2.gz CGUYRQKWXOSBRA-UHFFFAOYSA-N 1 2 344.484 2.190 20 30 EEEDLO Cc1cccc2c(NCc3ccc(C#N)cn3)c(-c3nn[nH]n3)c[nH+]c12 ZINC001609434641 1351975626 /nfs/dbraw/zinc/97/56/26/1351975626.db2.gz ROLNEEIRBORGHT-UHFFFAOYSA-N 1 2 342.366 2.024 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)CCCF ZINC001338693987 1336895065 /nfs/dbraw/zinc/89/50/65/1336895065.db2.gz SQTPIWOKQPWVKI-AWEZNQCLSA-N 1 2 325.432 2.042 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)CCCF ZINC001338693987 1336895070 /nfs/dbraw/zinc/89/50/70/1336895070.db2.gz SQTPIWOKQPWVKI-AWEZNQCLSA-N 1 2 325.432 2.042 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@@H](C)C1CC1 ZINC001338851387 1336919733 /nfs/dbraw/zinc/91/97/33/1336919733.db2.gz NCTAVISRPVZABJ-GOEBONIOSA-N 1 2 333.480 2.481 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@@H](C)C1CC1 ZINC001338851387 1336919735 /nfs/dbraw/zinc/91/97/35/1336919735.db2.gz NCTAVISRPVZABJ-GOEBONIOSA-N 1 2 333.480 2.481 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@H](COCC)C1 ZINC001339566258 1337029988 /nfs/dbraw/zinc/02/99/88/1337029988.db2.gz DDBKQGUVCZNSSC-INIZCTEOSA-N 1 2 333.480 2.313 20 30 EEEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CC1CC1 ZINC001340491215 1337195087 /nfs/dbraw/zinc/19/50/87/1337195087.db2.gz FHMKFEZAJDJROB-UHFFFAOYSA-N 1 2 328.464 2.403 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC2(CC2(F)F)CC1 ZINC001340733938 1337237642 /nfs/dbraw/zinc/23/76/42/1337237642.db2.gz WCDHCRNQOBWHOL-UHFFFAOYSA-N 1 2 348.401 2.414 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC001346188055 1337480593 /nfs/dbraw/zinc/48/05/93/1337480593.db2.gz PDXWHWJKHYCCNS-OAGGEKHMSA-N 1 2 331.464 2.236 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC001346188055 1337480596 /nfs/dbraw/zinc/48/05/96/1337480596.db2.gz PDXWHWJKHYCCNS-OAGGEKHMSA-N 1 2 331.464 2.236 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccns3)C[C@H]2O)CCCC1 ZINC001100145514 1338068814 /nfs/dbraw/zinc/06/88/14/1338068814.db2.gz LWVZMCOPCADFGW-JKSUJKDBSA-N 1 2 349.500 2.331 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccns3)C[C@H]2O)CCCC1 ZINC001100145514 1338068816 /nfs/dbraw/zinc/06/88/16/1338068816.db2.gz LWVZMCOPCADFGW-JKSUJKDBSA-N 1 2 349.500 2.331 20 30 EEEDLO C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589959592 1349081316 /nfs/dbraw/zinc/08/13/16/1349081316.db2.gz ZPCYXPSMTWBDTC-NHYWBVRUSA-N 1 2 346.394 2.262 20 30 EEEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1Cc2ccccc2C1 ZINC001650268295 1353809187 /nfs/dbraw/zinc/80/91/87/1353809187.db2.gz ANTYTCSIUCHKPR-UHFFFAOYSA-N 1 2 336.443 2.428 20 30 EEEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2sc3ccccc3c2C#N)C1 ZINC001186100887 1368189887 /nfs/dbraw/zinc/18/98/87/1368189887.db2.gz LYSXDJOFJGJQLM-NSHDSACASA-N 1 2 343.408 2.206 20 30 EEEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2sc3ccccc3c2C#N)C1 ZINC001186100887 1368189894 /nfs/dbraw/zinc/18/98/94/1368189894.db2.gz LYSXDJOFJGJQLM-NSHDSACASA-N 1 2 343.408 2.206 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)c2ccc(Br)cc2OC)CC1 ZINC001186291870 1368195505 /nfs/dbraw/zinc/19/55/05/1368195505.db2.gz TZIUFBANUYGZMX-UHFFFAOYSA-N 1 2 339.233 2.402 20 30 EEEDLO CCCCCCC[N@@H+]1CCCN(C(=O)C(C)(C)S(C)(=O)=O)CC1 ZINC001197313273 1368612999 /nfs/dbraw/zinc/61/29/99/1368612999.db2.gz AEORABITNMCWHA-UHFFFAOYSA-N 1 2 346.537 2.314 20 30 EEEDLO CCCCCCC[N@H+]1CCCN(C(=O)C(C)(C)S(C)(=O)=O)CC1 ZINC001197313273 1368613005 /nfs/dbraw/zinc/61/30/05/1368613005.db2.gz AEORABITNMCWHA-UHFFFAOYSA-N 1 2 346.537 2.314 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C2(CC(C)C)CCCC2)CC1 ZINC001197461026 1368617233 /nfs/dbraw/zinc/61/72/33/1368617233.db2.gz LNAALEBZKKLEFO-UHFFFAOYSA-N 1 2 349.519 2.429 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(CC(C)C)CCCC2)CC1 ZINC001197461026 1368617242 /nfs/dbraw/zinc/61/72/42/1368617242.db2.gz LNAALEBZKKLEFO-UHFFFAOYSA-N 1 2 349.519 2.429 20 30 EEEDLO C=CCCCC(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001201284234 1368797467 /nfs/dbraw/zinc/79/74/67/1368797467.db2.gz QXNUMGAPOWFKCI-ZFWWWQNUSA-N 1 2 336.436 2.002 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC1(CC)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001069455024 1370128954 /nfs/dbraw/zinc/12/89/54/1370128954.db2.gz XLMHVABOKDFGGK-MRXNPFEDSA-N 1 2 346.475 2.373 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2cocn2)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001071388639 1370496674 /nfs/dbraw/zinc/49/66/74/1370496674.db2.gz JYLSJZCKUHUWFO-SWLSCSKDSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2cocn2)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001071388639 1370496679 /nfs/dbraw/zinc/49/66/79/1370496679.db2.gz JYLSJZCKUHUWFO-SWLSCSKDSA-N 1 2 342.374 2.468 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@@H+](Cc2ncc(C)cn2)C3)C1 ZINC001072964097 1370795435 /nfs/dbraw/zinc/79/54/35/1370795435.db2.gz JCPGHMSIMBMYCG-UHFFFAOYSA-N 1 2 326.444 2.176 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@H+](Cc2ncc(C)cn2)C3)C1 ZINC001072964097 1370795440 /nfs/dbraw/zinc/79/54/40/1370795440.db2.gz JCPGHMSIMBMYCG-UHFFFAOYSA-N 1 2 326.444 2.176 20 30 EEEDLO CC#CCCCC(=O)N[C@H](C)CCCNc1[nH+]cnc2c1cnn2C ZINC001115045313 1371498423 /nfs/dbraw/zinc/49/84/23/1371498423.db2.gz OKDJSOOYTNUKBM-CQSZACIVSA-N 1 2 342.447 2.254 20 30 EEEDLO Cc1cc(NCCCOCCNC(=O)C#CC(C)C)nc(C2CC2)[nH+]1 ZINC001115404258 1371601641 /nfs/dbraw/zinc/60/16/41/1371601641.db2.gz FQQKNXWYOFPLMJ-UHFFFAOYSA-N 1 2 344.459 2.257 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N(C)C[C@@H](C)Nc2ccc(C#N)cn2)c[nH+]1 ZINC001120923831 1371839079 /nfs/dbraw/zinc/83/90/79/1371839079.db2.gz WACRFUYDNIQQJY-CQSZACIVSA-N 1 2 340.431 2.152 20 30 EEEDLO C#CC1CCN(c2nnc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)n2CC)CC1 ZINC001121804127 1371925680 /nfs/dbraw/zinc/92/56/80/1371925680.db2.gz OYZYIHSBLTWBBX-DLBZAZTESA-N 1 2 343.475 2.073 20 30 EEEDLO 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CO[C@@H](CC(C)C)C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001390820622 1388799172 /nfs/dbraw/zinc/79/91/72/1388799172.db2.gz TXNLZLOTRXQUFJ-KRWDZBQOSA-N 1 2 335.423 2.306 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)N[C@H](C)C(C)C)C2)CCC1 ZINC001752400361 1406296032 /nfs/dbraw/zinc/29/60/32/1406296032.db2.gz BZQVEEYMBOYHNH-CVEARBPZSA-N 1 2 335.492 2.084 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC(=O)N[C@H](C)C(C)C)C2)CCC1 ZINC001752400361 1406296040 /nfs/dbraw/zinc/29/60/40/1406296040.db2.gz BZQVEEYMBOYHNH-CVEARBPZSA-N 1 2 335.492 2.084 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCc2nc3ccccc3[nH]2)C1 ZINC001391585876 1389454874 /nfs/dbraw/zinc/45/48/74/1389454874.db2.gz WFWLAPVIUHGZCJ-CYBMUJFWSA-N 1 2 332.835 2.439 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCc2nc3ccccc3[nH]2)C1 ZINC001391585876 1389454876 /nfs/dbraw/zinc/45/48/76/1389454876.db2.gz WFWLAPVIUHGZCJ-CYBMUJFWSA-N 1 2 332.835 2.439 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)c1ccsn1 ZINC001392284661 1389950950 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EEEDLO C=CCC1(C(=O)N(C)[C@H]2CC[N@@H+](CC(=O)NCC3CC3)C2)CCCC1 ZINC001753450778 1406742726 /nfs/dbraw/zinc/74/27/26/1406742726.db2.gz UAJONNOAOWGWPQ-KRWDZBQOSA-N 1 2 347.503 2.182 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)COCc1ncc(C)o1 ZINC001402734741 1398164500 /nfs/dbraw/zinc/16/45/00/1398164500.db2.gz HKXVGGFJELRCSI-CQSZACIVSA-N 1 2 341.839 2.223 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)COCc1ncc(C)o1 ZINC001402734741 1398164505 /nfs/dbraw/zinc/16/45/05/1398164505.db2.gz HKXVGGFJELRCSI-CQSZACIVSA-N 1 2 341.839 2.223 20 30 EEEDLO C=C(Cl)CN1Cc2ccccc2C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001424382721 1401081372 /nfs/dbraw/zinc/08/13/72/1401081372.db2.gz PRGIVHFZNMXMDJ-KRWDZBQOSA-N 1 2 344.846 2.248 20 30 EEEDLO C#CCCCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2c[nH]nn2)C1 ZINC001574883214 1403528286 /nfs/dbraw/zinc/52/82/86/1403528286.db2.gz PFNJJCGADQZJGA-LPHOPBHVSA-N 1 2 343.475 2.107 20 30 EEEDLO C#CCCCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cn[nH]n2)C1 ZINC001574883214 1403528288 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784547955 /nfs/dbraw/zinc/54/79/55/784547955.db2.gz NQSLUFCDPGRVIJ-GDBMZVCRSA-N 1 2 330.428 2.017 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2csc(-c3ccoc3)n2)C1 ZINC001035551988 784722239 /nfs/dbraw/zinc/72/22/39/784722239.db2.gz QMZZQZHTVULLKF-CQSZACIVSA-N 1 2 347.440 2.410 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2csc(-c3ccoc3)n2)C1 ZINC001035551988 784722243 /nfs/dbraw/zinc/72/22/43/784722243.db2.gz QMZZQZHTVULLKF-CQSZACIVSA-N 1 2 347.440 2.410 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2c(C)csc2Cl)C1 ZINC001035588757 784797520 /nfs/dbraw/zinc/79/75/20/784797520.db2.gz FOWDVTXIEQMBHA-LBPRGKRZSA-N 1 2 326.849 2.164 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2c(C)csc2Cl)C1 ZINC001035588757 784797523 /nfs/dbraw/zinc/79/75/23/784797523.db2.gz FOWDVTXIEQMBHA-LBPRGKRZSA-N 1 2 326.849 2.164 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001035623552 784816406 /nfs/dbraw/zinc/81/64/06/784816406.db2.gz DEXMCWAXSVRORL-GOSISDBHSA-N 1 2 331.460 2.149 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001035623552 784816413 /nfs/dbraw/zinc/81/64/13/784816413.db2.gz DEXMCWAXSVRORL-GOSISDBHSA-N 1 2 331.460 2.149 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCO[C@@H]1C)CC2 ZINC001035691310 784948792 /nfs/dbraw/zinc/94/87/92/784948792.db2.gz KONOYBDWWYQASJ-CABCVRRESA-N 1 2 326.868 2.478 20 30 EEEDLO C#CCCOc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ncc(C)o2)cc1 ZINC001127014387 785013090 /nfs/dbraw/zinc/01/30/90/785013090.db2.gz HXUMFXBMOLXWEU-HNNXBMFYSA-N 1 2 341.411 2.466 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1-n1cccc1 ZINC001032550994 791079348 /nfs/dbraw/zinc/07/93/48/791079348.db2.gz JRMKZJJNTRJLEB-GJZGRUSLSA-N 1 2 325.437 2.461 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1-n1cccc1 ZINC001032550994 791079355 /nfs/dbraw/zinc/07/93/55/791079355.db2.gz JRMKZJJNTRJLEB-GJZGRUSLSA-N 1 2 325.437 2.461 20 30 EEEDLO CC(C)N1CC[NH+](CCC(=O)NC2(c3cccc(C#N)c3)CC2)CC1 ZINC000818026638 785149793 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/nfs/dbraw/zinc/76/71/67/805767167.db2.gz SRCGDCOGIZUOBU-IBGZPJMESA-N 1 2 345.491 2.327 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCC ZINC001109634630 805783037 /nfs/dbraw/zinc/78/30/37/805783037.db2.gz SCWVRKIJLLLOLK-YVSFHVDLSA-N 1 2 335.492 2.227 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCC ZINC001109634630 805783041 /nfs/dbraw/zinc/78/30/41/805783041.db2.gz SCWVRKIJLLLOLK-YVSFHVDLSA-N 1 2 335.492 2.227 20 30 EEEDLO C=CCCC1(C(=O)NC/C=C/CNc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001107493612 787408887 /nfs/dbraw/zinc/40/88/87/787408887.db2.gz KJUZXVFWEKHQJZ-BQYQJAHWSA-N 1 2 344.463 2.077 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001062237353 787694197 /nfs/dbraw/zinc/69/41/97/787694197.db2.gz NKGSMUIFAVJADU-OAHLLOKOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(CC)c(CC)o2)[C@@H](O)C1 ZINC001090731412 787948031 /nfs/dbraw/zinc/94/80/31/787948031.db2.gz RQYMOQRLKMCKKD-KGLIPLIRSA-N 1 2 340.851 2.322 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(CC)c(CC)o2)[C@@H](O)C1 ZINC001090731412 787948033 /nfs/dbraw/zinc/94/80/33/787948033.db2.gz RQYMOQRLKMCKKD-KGLIPLIRSA-N 1 2 340.851 2.322 20 30 EEEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C(C)C ZINC001109656363 805836211 /nfs/dbraw/zinc/83/62/11/805836211.db2.gz QCYCRDLEYORZJY-NCOADZHNSA-N 1 2 335.492 2.225 20 30 EEEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C(C)C ZINC001109656363 805836222 /nfs/dbraw/zinc/83/62/22/805836222.db2.gz QCYCRDLEYORZJY-NCOADZHNSA-N 1 2 335.492 2.225 20 30 EEEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000824978061 788385529 /nfs/dbraw/zinc/38/55/29/788385529.db2.gz RSWZNOKCHOHEOF-CRAIPNDOSA-N 1 2 348.468 2.378 20 30 EEEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000824978061 788385541 /nfs/dbraw/zinc/38/55/41/788385541.db2.gz RSWZNOKCHOHEOF-CRAIPNDOSA-N 1 2 348.468 2.378 20 30 EEEDLO C[C@@H](C(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1)C1CC1 ZINC001107848893 788730185 /nfs/dbraw/zinc/73/01/85/788730185.db2.gz UASYWMPWUMVVFU-QRWLVFNGSA-N 1 2 341.455 2.311 20 30 EEEDLO C[C@@H](C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1)C1CC1 ZINC001107848893 788730192 /nfs/dbraw/zinc/73/01/92/788730192.db2.gz UASYWMPWUMVVFU-QRWLVFNGSA-N 1 2 341.455 2.311 20 30 EEEDLO C/C=C(/C)C(=O)NC[C@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107853563 788786869 /nfs/dbraw/zinc/78/68/69/788786869.db2.gz RCFWABYICHVEFF-ZRWCWMOWSA-N 1 2 327.428 2.232 20 30 EEEDLO C/C=C(/C)C(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107853563 788786878 /nfs/dbraw/zinc/78/68/78/788786878.db2.gz RCFWABYICHVEFF-ZRWCWMOWSA-N 1 2 327.428 2.232 20 30 EEEDLO C=C(Cl)C[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001127873089 788790142 /nfs/dbraw/zinc/79/01/42/788790142.db2.gz CEEXGJXHFUBLBI-WFASDCNBSA-N 1 2 348.834 2.063 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2c(C)[nH]c3ccccc32)C1 ZINC001108171364 788854312 /nfs/dbraw/zinc/85/43/12/788854312.db2.gz GTTMLVLUZWUJTJ-FQEVSTJZSA-N 1 2 341.455 2.412 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2c(C)[nH]c3ccccc32)C1 ZINC001108171364 788854321 /nfs/dbraw/zinc/85/43/21/788854321.db2.gz GTTMLVLUZWUJTJ-FQEVSTJZSA-N 1 2 341.455 2.412 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1OC ZINC001090943283 789099760 /nfs/dbraw/zinc/09/97/60/789099760.db2.gz LIBDKEWVBXQGAR-HZPDHXFCSA-N 1 2 346.475 2.324 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C(C)C ZINC001109769839 805954420 /nfs/dbraw/zinc/95/44/20/805954420.db2.gz XVHWYONOSWVKOJ-NCOADZHNSA-N 1 2 349.519 2.471 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C(C)C ZINC001109769839 805954424 /nfs/dbraw/zinc/95/44/24/805954424.db2.gz XVHWYONOSWVKOJ-NCOADZHNSA-N 1 2 349.519 2.471 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001006012403 789293283 /nfs/dbraw/zinc/29/32/83/789293283.db2.gz CHKKHCLOFSBUJS-RISCZKNCSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(C)c2F)[C@H](O)C1 ZINC001090284547 789677897 /nfs/dbraw/zinc/67/78/97/789677897.db2.gz VGNWBERMFGYUME-UONOGXRCSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2F)[C@H](O)C1 ZINC001090284547 789677902 /nfs/dbraw/zinc/67/79/02/789677902.db2.gz VGNWBERMFGYUME-UONOGXRCSA-N 1 2 326.799 2.052 20 30 EEEDLO Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)c(C)nn1 ZINC001032423179 789679836 /nfs/dbraw/zinc/67/98/36/789679836.db2.gz YXEXOZGXYSILKB-ROUUACIJSA-N 1 2 347.422 2.064 20 30 EEEDLO Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)c(C)nn1 ZINC001032423179 789679841 /nfs/dbraw/zinc/67/98/41/789679841.db2.gz YXEXOZGXYSILKB-ROUUACIJSA-N 1 2 347.422 2.064 20 30 EEEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)CCCC(C)(C)C)CC2 ZINC001127959213 789781755 /nfs/dbraw/zinc/78/17/55/789781755.db2.gz WPGYRXYTXIVWLW-OAHLLOKOSA-N 1 2 345.491 2.038 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2[nH]c(C)c(C(C)=O)c2C(C)C)C1 ZINC000923568269 789789333 /nfs/dbraw/zinc/78/93/33/789789333.db2.gz WLYJDOPMTVHKSF-HNNXBMFYSA-N 1 2 329.444 2.477 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]c(C)c(C(C)=O)c2C(C)C)C1 ZINC000923568269 789789340 /nfs/dbraw/zinc/78/93/40/789789340.db2.gz WLYJDOPMTVHKSF-HNNXBMFYSA-N 1 2 329.444 2.477 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(-c3cccc(F)c3)no2)C1 ZINC000923580706 789814885 /nfs/dbraw/zinc/81/48/85/789814885.db2.gz FNFROOSKLXMWER-OAHLLOKOSA-N 1 2 327.359 2.308 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(-c3cccc(F)c3)no2)C1 ZINC000923580706 789814890 /nfs/dbraw/zinc/81/48/90/789814890.db2.gz FNFROOSKLXMWER-OAHLLOKOSA-N 1 2 327.359 2.308 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)CCC(=O)c2ccc(OCC)cc2)C1 ZINC000923593197 789830289 /nfs/dbraw/zinc/83/02/89/789830289.db2.gz KRVXAEHNFUQKGQ-QGZVFWFLSA-N 1 2 342.439 2.262 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCC(=O)c2ccc(OCC)cc2)C1 ZINC000923593197 789830293 /nfs/dbraw/zinc/83/02/93/789830293.db2.gz KRVXAEHNFUQKGQ-QGZVFWFLSA-N 1 2 342.439 2.262 20 30 EEEDLO C[C@@H](CC(=O)O[C@H]1CCCN(c2cc(C#N)ccn2)C1)n1cc[nH+]c1 ZINC000845526975 789832893 /nfs/dbraw/zinc/83/28/93/789832893.db2.gz DQNDIPIRYAGRGW-HOCLYGCPSA-N 1 2 339.399 2.313 20 30 EEEDLO C=C[C@@H](C)ONC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000845637555 789896844 /nfs/dbraw/zinc/89/68/44/789896844.db2.gz BLIMZKMORFGIHM-OAHLLOKOSA-N 1 2 333.432 2.419 20 30 EEEDLO C=C[C@H](C)ONC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000845639640 789899080 /nfs/dbraw/zinc/89/90/80/789899080.db2.gz RMRUBYVFSUOAMN-AWEZNQCLSA-N 1 2 333.436 2.246 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079042358 789901761 /nfs/dbraw/zinc/90/17/61/789901761.db2.gz ZLJGEBIYITWMIP-HZPDHXFCSA-N 1 2 346.475 2.394 20 30 EEEDLO CC1(C(=O)NC[C@@]2(C)C[N@H+](Cc3ccc(C#N)cc3)CCO2)CC1 ZINC001107958863 789914129 /nfs/dbraw/zinc/91/41/29/789914129.db2.gz AMLJOCQKDLAQTI-IBGZPJMESA-N 1 2 327.428 2.065 20 30 EEEDLO CC1(C(=O)NC[C@@]2(C)C[N@@H+](Cc3ccc(C#N)cc3)CCO2)CC1 ZINC001107958863 789914130 /nfs/dbraw/zinc/91/41/30/789914130.db2.gz AMLJOCQKDLAQTI-IBGZPJMESA-N 1 2 327.428 2.065 20 30 EEEDLO Cc1ccccc1NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158180301 790205278 /nfs/dbraw/zinc/20/52/78/790205278.db2.gz WTTXYXXKOHZXOW-UHFFFAOYSA-N 1 2 325.368 2.206 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106066755 791278195 /nfs/dbraw/zinc/27/81/95/791278195.db2.gz KLMACIVKUUXAHN-SWLSCSKDSA-N 1 2 332.448 2.154 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C(=O)NC)c1 ZINC001032562916 791415704 /nfs/dbraw/zinc/41/57/04/791415704.db2.gz JILSNOIKPBUVDR-IRXDYDNUSA-N 1 2 341.455 2.044 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C(=O)NC)c1 ZINC001032562916 791415710 /nfs/dbraw/zinc/41/57/10/791415710.db2.gz JILSNOIKPBUVDR-IRXDYDNUSA-N 1 2 341.455 2.044 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001067667221 791796799 /nfs/dbraw/zinc/79/67/99/791796799.db2.gz NJRVWCPBLHNCGJ-HUUCEWRRSA-N 1 2 334.464 2.107 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001067667221 791796800 /nfs/dbraw/zinc/79/68/00/791796800.db2.gz NJRVWCPBLHNCGJ-HUUCEWRRSA-N 1 2 334.464 2.107 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nnc(CC)o1)C2 ZINC001147381817 791808293 /nfs/dbraw/zinc/80/82/93/791808293.db2.gz ULPRFJFZLAJRSE-OAHLLOKOSA-N 1 2 344.459 2.421 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nnc(CC)o1)C2 ZINC001147381817 791808298 /nfs/dbraw/zinc/80/82/98/791808298.db2.gz ULPRFJFZLAJRSE-OAHLLOKOSA-N 1 2 344.459 2.421 20 30 EEEDLO Cc1noc([C@@H](C)[N@@H+]2CCC3(CN(C(=O)C#CC(C)(C)C)C3)C2)n1 ZINC001147523127 791867738 /nfs/dbraw/zinc/86/77/38/791867738.db2.gz OEUWQINLAVCNPL-CYBMUJFWSA-N 1 2 330.432 2.023 20 30 EEEDLO Cc1noc([C@@H](C)[N@H+]2CCC3(CN(C(=O)C#CC(C)(C)C)C3)C2)n1 ZINC001147523127 791867741 /nfs/dbraw/zinc/86/77/41/791867741.db2.gz OEUWQINLAVCNPL-CYBMUJFWSA-N 1 2 330.432 2.023 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC001098302115 792455104 /nfs/dbraw/zinc/45/51/04/792455104.db2.gz DKWGMQGMRDSJML-KBPBESRZSA-N 1 2 326.404 2.026 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC001089140155 792620931 /nfs/dbraw/zinc/62/09/31/792620931.db2.gz XFFKYYUHYHQMQY-ZBFHGGJFSA-N 1 2 346.479 2.006 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC001089140155 792620933 /nfs/dbraw/zinc/62/09/33/792620933.db2.gz XFFKYYUHYHQMQY-ZBFHGGJFSA-N 1 2 346.479 2.006 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC2(c3ccccc3)CC2)C1 ZINC001107986637 792958323 /nfs/dbraw/zinc/95/83/23/792958323.db2.gz AUUFTXHMYNFFLW-FQEVSTJZSA-N 1 2 340.467 2.339 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CC2(c3ccccc3)CC2)C1 ZINC001107986637 792958331 /nfs/dbraw/zinc/95/83/31/792958331.db2.gz AUUFTXHMYNFFLW-FQEVSTJZSA-N 1 2 340.467 2.339 20 30 EEEDLO C=C(Cl)C[NH+]1CCC2(C[C@H](C)N(C(=O)c3[nH]nnc3C)C2)CC1 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/nfs/dbraw/zinc/60/18/70/803601870.db2.gz WDSBNMGLEOOEPO-SFHVURJKSA-N 1 2 334.485 2.220 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C[C@@H](C)CC(C)C)CC2=O)C1 ZINC001108585373 804224062 /nfs/dbraw/zinc/22/40/62/804224062.db2.gz RPYKINCBMZMZEK-JKSUJKDBSA-N 1 2 335.492 2.036 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@@H](CC)CC(C)C)CC2=O)C1 ZINC001108585758 804224788 /nfs/dbraw/zinc/22/47/88/804224788.db2.gz VIQLUBDBQWASIG-JKSUJKDBSA-N 1 2 335.492 2.036 20 30 EEEDLO Cc1nc(NC[C@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)ccc1C#N ZINC001108686656 804353468 /nfs/dbraw/zinc/35/34/68/804353468.db2.gz QSZNIEYZKZEBMH-FZMZJTMJSA-N 1 2 338.415 2.022 20 30 EEEDLO C=CCC1(C(=O)N[C@@H](C)CN(C)c2[nH+]cnc3c2cnn3C)CCC1 ZINC001109215875 805133888 /nfs/dbraw/zinc/13/38/88/805133888.db2.gz BROXUYACEKPVJA-ZDUSSCGKSA-N 1 2 342.447 2.051 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cnn(C)c1C)C2 ZINC001109348459 805353920 /nfs/dbraw/zinc/35/39/20/805353920.db2.gz YQUPBKGBUUCZRV-PMPSAXMXSA-N 1 2 336.867 2.135 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cnn(C)c1C)C2 ZINC001109348459 805353929 /nfs/dbraw/zinc/35/39/29/805353929.db2.gz YQUPBKGBUUCZRV-PMPSAXMXSA-N 1 2 336.867 2.135 20 30 EEEDLO Cc1nc(Nc2ccccc2OCC#N)cc(N2CCOCC2)[nH+]1 ZINC001212597076 805373442 /nfs/dbraw/zinc/37/34/42/805373442.db2.gz APUNABLDDZLSKG-UHFFFAOYSA-N 1 2 325.372 2.268 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1O ZINC001112753793 807147536 /nfs/dbraw/zinc/14/75/36/807147536.db2.gz YJWUSTQLBWLNDE-CABCVRRESA-N 1 2 346.475 2.034 20 30 EEEDLO C#CCCCCC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001112772649 807197950 /nfs/dbraw/zinc/19/79/50/807197950.db2.gz DCRBVMPZDIDQCL-UHFFFAOYSA-N 1 2 339.439 2.427 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC001112814309 807329203 /nfs/dbraw/zinc/32/92/03/807329203.db2.gz NAYJGPZVDBFFFO-PKOBYXMFSA-N 1 2 332.419 2.284 20 30 EEEDLO Cc1ccc(C)c(OCC[NH+]2CCN(C(=O)C#CC(C)C)CC2)c1 ZINC001112834373 807356677 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Cc1c(C#N)cccc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376583036 167355409 /nfs/dbraw/zinc/35/54/09/167355409.db2.gz FBOQMAWFIFMHHW-CZUORRHYSA-N 1 2 328.416 2.194 20 30 EEEDLO N#Cc1ccc(CN2CC[NH+](Cc3cnn(CC(F)F)c3)CC2)cc1 ZINC000294918626 270018117 /nfs/dbraw/zinc/01/81/17/270018117.db2.gz NXIMNJWOFBMSRT-UHFFFAOYSA-N 1 2 345.397 2.338 20 30 EEEDLO CCN1CCN(C(=O)Nc2ccc(F)c(C#N)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330349357 266147673 /nfs/dbraw/zinc/14/76/73/266147673.db2.gz JUDHISPUGNCKJN-OAHLLOKOSA-N 1 2 342.378 2.331 20 30 EEEDLO CCN1CCN(C(=O)Nc2ccc(F)c(C#N)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330349356 266148064 /nfs/dbraw/zinc/14/80/64/266148064.db2.gz JUDHISPUGNCKJN-HNNXBMFYSA-N 1 2 342.378 2.331 20 30 EEEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@@]2(CCOC2)O1 ZINC000331583660 266382503 /nfs/dbraw/zinc/38/25/03/266382503.db2.gz PFKNAPCRGHZCPX-ZSZQSSIHSA-N 1 2 343.427 2.155 20 30 EEEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@@]2(CCOC2)O1 ZINC000331583660 266382504 /nfs/dbraw/zinc/38/25/04/266382504.db2.gz PFKNAPCRGHZCPX-ZSZQSSIHSA-N 1 2 343.427 2.155 20 30 EEEDLO CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@H](O)C(F)(F)F ZINC000494255654 267072294 /nfs/dbraw/zinc/07/22/94/267072294.db2.gz CFRQBSMCTWKJAS-LBPRGKRZSA-N 1 2 340.305 2.353 20 30 EEEDLO CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@H](O)C(F)(F)F ZINC000494255654 267072295 /nfs/dbraw/zinc/07/22/95/267072295.db2.gz CFRQBSMCTWKJAS-LBPRGKRZSA-N 1 2 340.305 2.353 20 30 EEEDLO C[C@@](O)(C[NH+]1CCN(c2ccc(C#N)cc2F)CC1)C(F)(F)F ZINC000330385092 267114111 /nfs/dbraw/zinc/11/41/11/267114111.db2.gz LDPJOSQTBCGJPC-CQSZACIVSA-N 1 2 331.313 2.133 20 30 EEEDLO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000332028824 267212039 /nfs/dbraw/zinc/21/20/39/267212039.db2.gz HGDZVQHBRWPRIL-FUHWJXTLSA-N 1 2 340.471 2.375 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1cccc(Br)c1 ZINC000493543614 289219446 /nfs/dbraw/zinc/21/94/46/289219446.db2.gz HCMVPAOMSYYRJP-LZNQSLFOSA-N 1 2 336.233 2.422 20 30 EEEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000298302792 294467474 /nfs/dbraw/zinc/46/74/74/294467474.db2.gz XJDWUWXRQKODTE-ZDUSSCGKSA-N 1 2 334.851 2.248 20 30 EEEDLO Cn1cc(C[NH+]2CCN(C(=O)C3CC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000537613061 318023081 /nfs/dbraw/zinc/02/30/81/318023081.db2.gz UPZPGZSNRUALCA-UHFFFAOYSA-N 1 2 349.438 2.013 20 30 EEEDLO Cc1cccc([C@H]2C(=O)NCC[N@H+]2CCOc2ccccc2C#N)c1 ZINC000563429213 319010633 /nfs/dbraw/zinc/01/06/33/319010633.db2.gz SDBDICVGSDZOLA-IBGZPJMESA-N 1 2 335.407 2.419 20 30 EEEDLO Cc1cccc([C@H]2C(=O)NCC[N@@H+]2CCOc2ccccc2C#N)c1 ZINC000563429213 319010635 /nfs/dbraw/zinc/01/06/35/319010635.db2.gz SDBDICVGSDZOLA-IBGZPJMESA-N 1 2 335.407 2.419 20 30 EEEDLO COC(=O)c1cccc(C[NH+]2CCN(c3cnccc3C#N)CC2)c1 ZINC000573305381 319921553 /nfs/dbraw/zinc/92/15/53/319921553.db2.gz WFJHCOKYPQRRAB-UHFFFAOYSA-N 1 2 336.395 2.062 20 30 EEEDLO COc1nc(C)cc(C)c1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000574648629 320044851 /nfs/dbraw/zinc/04/48/51/320044851.db2.gz LGFQQXMIAPXBGA-UHFFFAOYSA-N 1 2 337.427 2.296 20 30 EEEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc2c(c1)OCCO2 ZINC000023829363 323318484 /nfs/dbraw/zinc/31/84/84/323318484.db2.gz RIWMGTMLVBFIAU-UHFFFAOYSA-N 1 2 343.408 2.461 20 30 EEEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc2c(c1)OCCO2 ZINC000023829363 323318487 /nfs/dbraw/zinc/31/84/87/323318487.db2.gz RIWMGTMLVBFIAU-UHFFFAOYSA-N 1 2 343.408 2.461 20 30 EEEDLO CCn1nncc1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000583610405 324697530 /nfs/dbraw/zinc/69/75/30/324697530.db2.gz VSKZQFPEVNAZLL-UHFFFAOYSA-N 1 2 329.379 2.352 20 30 EEEDLO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cl)cc2O)c1C#N ZINC000534792326 448467932 /nfs/dbraw/zinc/46/79/32/448467932.db2.gz QFZDBIQBVHCDKC-UHFFFAOYSA-N 1 2 333.779 2.045 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361649 462947305 /nfs/dbraw/zinc/94/73/05/462947305.db2.gz PBTGFZPVZYFYID-OAHLLOKOSA-N 1 2 339.457 2.269 20 30 EEEDLO C=CC[N@H+](Cc1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361649 462947316 /nfs/dbraw/zinc/94/73/16/462947316.db2.gz PBTGFZPVZYFYID-OAHLLOKOSA-N 1 2 339.457 2.269 20 30 EEEDLO CC[C@@](C)(C#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000127015173 463676966 /nfs/dbraw/zinc/67/69/66/463676966.db2.gz BWITUQZZVMZBBL-SFHVURJKSA-N 1 2 339.399 2.334 20 30 EEEDLO Cc1cc([C@@H]2CCCN2C(=O)NCC[N@@H+]2CCOC(C)(C)C2)on1 ZINC000328728110 465112031 /nfs/dbraw/zinc/11/20/31/465112031.db2.gz DPKRJKLZNBJOJL-AWEZNQCLSA-N 1 2 336.436 2.145 20 30 EEEDLO Cc1cc([C@@H]2CCCN2C(=O)NCC[N@H+]2CCOC(C)(C)C2)on1 ZINC000328728110 465112037 /nfs/dbraw/zinc/11/20/37/465112037.db2.gz DPKRJKLZNBJOJL-AWEZNQCLSA-N 1 2 336.436 2.145 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1)C1CC1 ZINC000329054123 465218903 /nfs/dbraw/zinc/21/89/03/465218903.db2.gz SBRQSROIHWTFBT-YVEFUNNKSA-N 1 2 329.404 2.385 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1)C1CC1 ZINC000329054123 465218907 /nfs/dbraw/zinc/21/89/07/465218907.db2.gz SBRQSROIHWTFBT-YVEFUNNKSA-N 1 2 329.404 2.385 20 30 EEEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000355097533 465223934 /nfs/dbraw/zinc/22/39/34/465223934.db2.gz OSJTVBVWNMRKMH-AWEZNQCLSA-N 1 2 344.415 2.071 20 30 EEEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000329097735 465232506 /nfs/dbraw/zinc/23/25/06/465232506.db2.gz YNEOSBKXDXXAKN-HBVLHIRESA-N 1 2 333.476 2.463 20 30 EEEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000329097735 465232514 /nfs/dbraw/zinc/23/25/14/465232514.db2.gz YNEOSBKXDXXAKN-HBVLHIRESA-N 1 2 333.476 2.463 20 30 EEEDLO C[C@@H](C1CC1)n1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cn1 ZINC000329235189 465276088 /nfs/dbraw/zinc/27/60/88/465276088.db2.gz IKVKHKBPAXQQNV-JKIFEVAISA-N 1 2 347.463 2.195 20 30 EEEDLO O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CCOCC2(CC2)C1 ZINC000329323076 465300333 /nfs/dbraw/zinc/30/03/33/465300333.db2.gz UXNVSVRNUYLPQY-UHFFFAOYSA-N 1 2 345.443 2.177 20 30 EEEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000329350186 465308248 /nfs/dbraw/zinc/30/82/48/465308248.db2.gz DEWDMULVSDCDRR-ZDUSSCGKSA-N 1 2 338.477 2.211 20 30 EEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2nnc(C3CC3)o2)CC1 ZINC000329368899 465313616 /nfs/dbraw/zinc/31/36/16/465313616.db2.gz JIHLKVBOCHJBJY-LBPRGKRZSA-N 1 2 333.436 2.357 20 30 EEEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000551986915 468290355 /nfs/dbraw/zinc/29/03/55/468290355.db2.gz PIXMDVYBVNKDNA-UHFFFAOYSA-N 1 2 347.465 2.125 20 30 EEEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000551986915 468290361 /nfs/dbraw/zinc/29/03/61/468290361.db2.gz PIXMDVYBVNKDNA-UHFFFAOYSA-N 1 2 347.465 2.125 20 30 EEEDLO N#Cc1ccc(F)c(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000074090426 462552582 /nfs/dbraw/zinc/55/25/82/462552582.db2.gz ZLIFDGWQNNPLFU-GOSISDBHSA-N 1 2 338.386 2.373 20 30 EEEDLO N#Cc1ccc(F)c(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000074090426 462552585 /nfs/dbraw/zinc/55/25/85/462552585.db2.gz ZLIFDGWQNNPLFU-GOSISDBHSA-N 1 2 338.386 2.373 20 30 EEEDLO C=CCC[C@@H](O)C[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000128469175 462642353 /nfs/dbraw/zinc/64/23/53/462642353.db2.gz UGXUCNYWUKWKGC-CQSZACIVSA-N 1 2 327.808 2.348 20 30 EEEDLO N#Cc1cccc(OCC[NH+]2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC000114491247 462655337 /nfs/dbraw/zinc/65/53/37/462655337.db2.gz JPTSHFLGMMXLTL-UHFFFAOYSA-N 1 2 345.340 2.455 20 30 EEEDLO C=CCNC(=O)CN1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000154124539 462732791 /nfs/dbraw/zinc/73/27/91/462732791.db2.gz SLXKLTUSZIPQPK-KRWDZBQOSA-N 1 2 337.414 2.336 20 30 EEEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000154124539 462732797 /nfs/dbraw/zinc/73/27/97/462732797.db2.gz SLXKLTUSZIPQPK-KRWDZBQOSA-N 1 2 337.414 2.336 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2OC(C)(C)C)CC1 ZINC000154905044 462821601 /nfs/dbraw/zinc/82/16/01/462821601.db2.gz XYHLPOGDUJRQAR-UHFFFAOYSA-N 1 2 329.444 2.053 20 30 EEEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cnn(-c2ccccc2)c1 ZINC000011459274 462833253 /nfs/dbraw/zinc/83/32/53/462833253.db2.gz PLGLOZKVIDDZHO-IBGZPJMESA-N 1 2 337.427 2.113 20 30 EEEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cnn(-c2ccccc2)c1 ZINC000011459274 462833260 /nfs/dbraw/zinc/83/32/60/462833260.db2.gz PLGLOZKVIDDZHO-IBGZPJMESA-N 1 2 337.427 2.113 20 30 EEEDLO C#CCCCCNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000155085405 462844578 /nfs/dbraw/zinc/84/45/78/462844578.db2.gz FLYQCGRQFRISCG-UHFFFAOYSA-N 1 2 329.444 2.326 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000133340770 462920528 /nfs/dbraw/zinc/92/05/28/462920528.db2.gz FIDWMMPGNPJHSW-AWEZNQCLSA-N 1 2 336.382 2.085 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000133340770 462920532 /nfs/dbraw/zinc/92/05/32/462920532.db2.gz FIDWMMPGNPJHSW-AWEZNQCLSA-N 1 2 336.382 2.085 20 30 EEEDLO Cc1n[nH]cc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000119680401 462922734 /nfs/dbraw/zinc/92/27/34/462922734.db2.gz CREVWWBKDHIFNM-UHFFFAOYSA-N 1 2 338.371 2.160 20 30 EEEDLO COC(=O)C1CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000120849344 463046328 /nfs/dbraw/zinc/04/63/28/463046328.db2.gz MCVAOAMYWMJBPD-UHFFFAOYSA-N 1 2 338.411 2.437 20 30 EEEDLO CC(C)CNC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000121140180 463086358 /nfs/dbraw/zinc/08/63/58/463086358.db2.gz RKCAMCUZLHOVKA-FUHWJXTLSA-N 1 2 328.460 2.030 20 30 EEEDLO C#CCCOc1ccc(C[NH+]2CCN(C(=O)c3cccnc3)CC2)cc1 ZINC000095453791 463088233 /nfs/dbraw/zinc/08/82/33/463088233.db2.gz ZYJLIBRBUYRWFM-UHFFFAOYSA-N 1 2 349.434 2.442 20 30 EEEDLO NC(CCO)=[NH+]OCC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000121378490 463125902 /nfs/dbraw/zinc/12/59/02/463125902.db2.gz OZZYENRLYRFUBD-SFHVURJKSA-N 1 2 333.432 2.095 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000030151860 463288462 /nfs/dbraw/zinc/28/84/62/463288462.db2.gz JHKINIXMYLPJFF-DOMZBBRYSA-N 1 2 331.416 2.379 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000030151860 463288465 /nfs/dbraw/zinc/28/84/65/463288465.db2.gz JHKINIXMYLPJFF-DOMZBBRYSA-N 1 2 331.416 2.379 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000030699429 463309528 /nfs/dbraw/zinc/30/95/28/463309528.db2.gz WRHYGLNWBXOHHA-IBGZPJMESA-N 1 2 335.407 2.362 20 30 EEEDLO C#CC[N@@H+](Cc1nnnn1CCOCC(F)(F)F)C1CCCCC1 ZINC000491325314 468351440 /nfs/dbraw/zinc/35/14/40/468351440.db2.gz BMQSYIBYZDSDOJ-UHFFFAOYSA-N 1 2 345.369 2.020 20 30 EEEDLO C#CC[N@H+](Cc1nnnn1CCOCC(F)(F)F)C1CCCCC1 ZINC000491325314 468351442 /nfs/dbraw/zinc/35/14/42/468351442.db2.gz BMQSYIBYZDSDOJ-UHFFFAOYSA-N 1 2 345.369 2.020 20 30 EEEDLO CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cnn(C)c1 ZINC000161084788 463398570 /nfs/dbraw/zinc/39/85/70/463398570.db2.gz CIGPSPJRHWAGBS-UHFFFAOYSA-N 1 2 325.416 2.189 20 30 EEEDLO CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cnn(C)c1 ZINC000161084788 463398576 /nfs/dbraw/zinc/39/85/76/463398576.db2.gz CIGPSPJRHWAGBS-UHFFFAOYSA-N 1 2 325.416 2.189 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000056551155 463408562 /nfs/dbraw/zinc/40/85/62/463408562.db2.gz AGTVDLDRITVPJX-UHFFFAOYSA-N 1 2 346.431 2.189 20 30 EEEDLO C=CCN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000161433812 463429445 /nfs/dbraw/zinc/42/94/45/463429445.db2.gz CPBCMAYDFACSJQ-MRXNPFEDSA-N 1 2 344.415 2.354 20 30 EEEDLO C=CCNc1ncc(C(=O)NCCc2cn3c([nH+]2)CCCC3)s1 ZINC000125974111 463595734 /nfs/dbraw/zinc/59/57/34/463595734.db2.gz LJWHHQSFOLWCCB-UHFFFAOYSA-N 1 2 331.445 2.246 20 30 EEEDLO C[C@H](NC(=O)c1cc(C#N)cs1)C1([NH+]2CCOCC2)CCCC1 ZINC000084405676 463601059 /nfs/dbraw/zinc/60/10/59/463601059.db2.gz QMMQLXCKQNUXQB-ZDUSSCGKSA-N 1 2 333.457 2.383 20 30 EEEDLO C[C@H]1CN(c2ccc(CNC(=O)C3(C#N)CCCC3)c[nH+]2)CCO1 ZINC000044552702 463682688 /nfs/dbraw/zinc/68/26/88/463682688.db2.gz ATKOATQCDBKNEJ-AWEZNQCLSA-N 1 2 328.416 2.007 20 30 EEEDLO Cc1nc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)ccc1C#N ZINC000193421340 463713381 /nfs/dbraw/zinc/71/33/81/463713381.db2.gz GLEUXAWVIRJCTR-UHFFFAOYSA-N 1 2 336.395 2.346 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000177787739 463791149 /nfs/dbraw/zinc/79/11/49/463791149.db2.gz PWMKVRNKFAQEIW-QGZVFWFLSA-N 1 2 345.487 2.323 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000177787739 463791153 /nfs/dbraw/zinc/79/11/53/463791153.db2.gz PWMKVRNKFAQEIW-QGZVFWFLSA-N 1 2 345.487 2.323 20 30 EEEDLO C[C@@]1(O)CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000177976151 463821813 /nfs/dbraw/zinc/82/18/13/463821813.db2.gz KODNJRKDXNMAAJ-QGZVFWFLSA-N 1 2 333.457 2.284 20 30 EEEDLO C[C@@]1(O)CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000177976151 463821820 /nfs/dbraw/zinc/82/18/20/463821820.db2.gz KODNJRKDXNMAAJ-QGZVFWFLSA-N 1 2 333.457 2.284 20 30 EEEDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)o1 ZINC000541688380 468379423 /nfs/dbraw/zinc/37/94/23/468379423.db2.gz RUKDGRCHPXLAMG-STQMWFEESA-N 1 2 327.388 2.364 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnc2ccc(Cl)cn12 ZINC000269354595 463962722 /nfs/dbraw/zinc/96/27/22/463962722.db2.gz LWXDAAFLVSPOHE-UHFFFAOYSA-N 1 2 347.850 2.036 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000279348901 464091030 /nfs/dbraw/zinc/09/10/30/464091030.db2.gz CKMGYEBOYLVCBY-AEFFLSMTSA-N 1 2 344.459 2.394 20 30 EEEDLO Cc1nsc(N2CCN(C(=O)Nc3cc[nH+]cc3C)CC2)c1C#N ZINC000290136062 464108552 /nfs/dbraw/zinc/10/85/52/464108552.db2.gz MDXHUGXHSNLADU-UHFFFAOYSA-N 1 2 342.428 2.381 20 30 EEEDLO C#CC[NH+]1CCN(Cn2[nH]c(-c3cc(F)cc(F)c3)nc2=S)CC1 ZINC000172893760 464161300 /nfs/dbraw/zinc/16/13/00/464161300.db2.gz QAZDLUPERMUVOP-UHFFFAOYSA-N 1 2 349.410 2.094 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1)OCC ZINC000270024666 464162810 /nfs/dbraw/zinc/16/28/10/464162810.db2.gz JZKQPSGZHAPBEB-NVXWUHKLSA-N 1 2 347.459 2.294 20 30 EEEDLO CC(C)(C)c1ncc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cn1 ZINC000284390525 464176184 /nfs/dbraw/zinc/17/61/84/464176184.db2.gz PCDJRNFITJNFRK-UHFFFAOYSA-N 1 2 336.443 2.363 20 30 EEEDLO COCCN(C(C)=O)c1nc(C[NH+]2CCC(CC#N)CC2)cs1 ZINC000543806837 468397470 /nfs/dbraw/zinc/39/74/70/468397470.db2.gz DNDIKZMUYZDFIT-UHFFFAOYSA-N 1 2 336.461 2.268 20 30 EEEDLO C=CCCCS(=O)(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000292906489 464377589 /nfs/dbraw/zinc/37/75/89/464377589.db2.gz GXGOCVTWMSBQKN-ZDUSSCGKSA-N 1 2 328.503 2.380 20 30 EEEDLO C=CCCCS(=O)(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000292906489 464377595 /nfs/dbraw/zinc/37/75/95/464377595.db2.gz GXGOCVTWMSBQKN-ZDUSSCGKSA-N 1 2 328.503 2.380 20 30 EEEDLO Cc1ccccc1CCNC(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000174220236 464379112 /nfs/dbraw/zinc/37/91/12/464379112.db2.gz ISBZFWVGDZZMDJ-HNNXBMFYSA-N 1 2 335.448 2.004 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(SC)c2)C1=O ZINC000281263707 464392571 /nfs/dbraw/zinc/39/25/71/464392571.db2.gz HPKQZGZGZUPJDM-OAHLLOKOSA-N 1 2 333.457 2.066 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(SC)c2)C1=O ZINC000281263707 464392576 /nfs/dbraw/zinc/39/25/76/464392576.db2.gz HPKQZGZGZUPJDM-OAHLLOKOSA-N 1 2 333.457 2.066 20 30 EEEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000293917154 464426700 /nfs/dbraw/zinc/42/67/00/464426700.db2.gz XNHGPEMOPZDKAR-CJNGLKHVSA-N 1 2 328.372 2.045 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nc3cc(Cl)ccc3n2C)C1=O ZINC000281429387 464452555 /nfs/dbraw/zinc/45/25/55/464452555.db2.gz ZMJCYFMJSVZZCX-HNNXBMFYSA-N 1 2 332.835 2.445 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nc3cc(Cl)ccc3n2C)C1=O ZINC000281429387 464452558 /nfs/dbraw/zinc/45/25/58/464452558.db2.gz ZMJCYFMJSVZZCX-HNNXBMFYSA-N 1 2 332.835 2.445 20 30 EEEDLO CC#CCCCC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000546645567 468408095 /nfs/dbraw/zinc/40/80/95/468408095.db2.gz YMUJNEWQEULSLY-INIZCTEOSA-N 1 2 333.501 2.346 20 30 EEEDLO C#CCSCCNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000175445047 464552362 /nfs/dbraw/zinc/55/23/62/464552362.db2.gz CTOAEKWLXWOTNK-UHFFFAOYSA-N 1 2 342.468 2.291 20 30 EEEDLO CC(=O)c1ccc(C#N)c(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c1 ZINC000272331693 464568605 /nfs/dbraw/zinc/56/86/05/464568605.db2.gz AFDQOXXVOSMNFS-GFCCVEGCSA-N 1 2 328.441 2.374 20 30 EEEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3ccc(Cl)cc3)CC2)C1=O ZINC000281950767 464646806 /nfs/dbraw/zinc/64/68/06/464646806.db2.gz JPKMDWRHNCXUCB-QGZVFWFLSA-N 1 2 333.863 2.245 20 30 EEEDLO COc1ccc([C@@H](CNc2cc(C#N)ccn2)[NH+]2CCOCC2)cc1 ZINC000285662444 464649570 /nfs/dbraw/zinc/64/95/70/464649570.db2.gz OXDNCSQTIWYTPM-GOSISDBHSA-N 1 2 338.411 2.447 20 30 EEEDLO N#C[C@H](C(=O)C[N@@H+]1CCCC2(CC2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000274490850 464745577 /nfs/dbraw/zinc/74/55/77/464745577.db2.gz HHWNXTRRKJFJSD-CQSZACIVSA-N 1 2 336.395 2.388 20 30 EEEDLO N#C[C@H](C(=O)C[N@H+]1CCCC2(CC2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000274490850 464745584 /nfs/dbraw/zinc/74/55/84/464745584.db2.gz HHWNXTRRKJFJSD-CQSZACIVSA-N 1 2 336.395 2.388 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H]1CCC2(CCCCC2)O1 ZINC000190978429 464754407 /nfs/dbraw/zinc/75/44/07/464754407.db2.gz RPIIVOHCRQZDOA-SFHVURJKSA-N 1 2 335.492 2.416 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H]1CCC2(CCCCC2)O1 ZINC000190978407 464755146 /nfs/dbraw/zinc/75/51/46/464755146.db2.gz RPIIVOHCRQZDOA-GOSISDBHSA-N 1 2 335.492 2.416 20 30 EEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC(=O)N[C@@H](C)c1cccs1 ZINC000266170838 464768187 /nfs/dbraw/zinc/76/81/87/464768187.db2.gz CINBCKWEXTVEFS-RYUDHWBXSA-N 1 2 327.450 2.275 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCOC4(CCC4)C3)C2=O)cc1 ZINC000182976278 464769679 /nfs/dbraw/zinc/76/96/79/464769679.db2.gz QMYQLZSWFQFUMY-KRWDZBQOSA-N 1 2 325.412 2.309 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCOC4(CCC4)C3)C2=O)cc1 ZINC000182976278 464769682 /nfs/dbraw/zinc/76/96/82/464769682.db2.gz QMYQLZSWFQFUMY-KRWDZBQOSA-N 1 2 325.412 2.309 20 30 EEEDLO N#Cc1ccc(C(=O)NCc2[nH+]ccn2CCc2ccccc2)nc1 ZINC000176481144 464783069 /nfs/dbraw/zinc/78/30/69/464783069.db2.gz ITSAIXGSPCLMCT-UHFFFAOYSA-N 1 2 331.379 2.322 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](CO)O1 ZINC000191526689 464818564 /nfs/dbraw/zinc/81/85/64/464818564.db2.gz WIIGKVDGXCSFPS-CRAIPNDOSA-N 1 2 340.427 2.045 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](CO)O1 ZINC000191526689 464818567 /nfs/dbraw/zinc/81/85/67/464818567.db2.gz WIIGKVDGXCSFPS-CRAIPNDOSA-N 1 2 340.427 2.045 20 30 EEEDLO Cc1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1F ZINC000176976236 464897557 /nfs/dbraw/zinc/89/75/57/464897557.db2.gz QDDBJFWLXISFFD-UHFFFAOYSA-N 1 2 334.395 2.214 20 30 EEEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000286639885 464987797 /nfs/dbraw/zinc/98/77/97/464987797.db2.gz BGCWVOHSXMMYDR-IBGZPJMESA-N 1 2 345.443 2.158 20 30 EEEDLO C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000329454396 465337724 /nfs/dbraw/zinc/33/77/24/465337724.db2.gz PONPDZKSVKUHAY-JHJVBQTASA-N 1 2 337.386 2.189 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NC2CC(C(F)(F)F)C2)CCO1 ZINC000329695342 465409103 /nfs/dbraw/zinc/40/91/03/465409103.db2.gz CZTVHNUIZDYVJI-DTZXXLCVSA-N 1 2 346.353 2.485 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1C[C@@H]3CC[C@H](O)[C@@H]3C1)C2 ZINC000329759346 465426147 /nfs/dbraw/zinc/42/61/47/465426147.db2.gz OSXRIWGYNOCSLB-XQLPTFJDSA-N 1 2 346.475 2.112 20 30 EEEDLO N#CC[C@H](CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000343348340 465508368 /nfs/dbraw/zinc/50/83/68/465508368.db2.gz LKLWHHGHLCAXSV-AEFFLSMTSA-N 1 2 327.428 2.053 20 30 EEEDLO N#CC[C@H](CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000343348340 465508374 /nfs/dbraw/zinc/50/83/74/465508374.db2.gz LKLWHHGHLCAXSV-AEFFLSMTSA-N 1 2 327.428 2.053 20 30 EEEDLO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)C[C@H]1OCCc2ccccc21 ZINC000337682788 465514936 /nfs/dbraw/zinc/51/49/36/465514936.db2.gz NZBLDOONUIMTNP-HXUWFJFHSA-N 1 2 349.434 2.420 20 30 EEEDLO C[N@H+](CC(=O)NCc1cccc(C#N)c1)C[C@H]1OCCc2ccccc21 ZINC000337682788 465514943 /nfs/dbraw/zinc/51/49/43/465514943.db2.gz NZBLDOONUIMTNP-HXUWFJFHSA-N 1 2 349.434 2.420 20 30 EEEDLO C=CC[N@H+](Cc1nnc(C)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343578938 465530338 /nfs/dbraw/zinc/53/03/38/465530338.db2.gz WQJDOWKZSYBSPA-GFCCVEGCSA-N 1 2 325.376 2.103 20 30 EEEDLO C=CC[N@@H+](Cc1nnc(C)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343578938 465530346 /nfs/dbraw/zinc/53/03/46/465530346.db2.gz WQJDOWKZSYBSPA-GFCCVEGCSA-N 1 2 325.376 2.103 20 30 EEEDLO COc1cc[nH+]cc1CNC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000348297803 465537559 /nfs/dbraw/zinc/53/75/59/465537559.db2.gz CSCZULVZMWGBBU-UHFFFAOYSA-N 1 2 341.415 2.066 20 30 EEEDLO CC(C)NC(=O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348307824 465542614 /nfs/dbraw/zinc/54/26/14/465542614.db2.gz PUODJFQCCQHBGU-INIZCTEOSA-N 1 2 334.851 2.047 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccnn1C ZINC000348399093 465582094 /nfs/dbraw/zinc/58/20/94/465582094.db2.gz IWORKBLPWDTANF-CQSZACIVSA-N 1 2 343.406 2.326 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccnn1C ZINC000348399093 465582104 /nfs/dbraw/zinc/58/21/04/465582104.db2.gz IWORKBLPWDTANF-CQSZACIVSA-N 1 2 343.406 2.326 20 30 EEEDLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@H]1CCOC2(CCOCC2)C1 ZINC000330270373 465593344 /nfs/dbraw/zinc/59/33/44/465593344.db2.gz UBUOKBOXCBIGKR-HNNXBMFYSA-N 1 2 344.415 2.066 20 30 EEEDLO C=CCn1c(CC2CCCCC2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000337876762 465647844 /nfs/dbraw/zinc/64/78/44/465647844.db2.gz ZHLMQIZLPYFAQW-UHFFFAOYSA-N 1 2 347.507 2.355 20 30 EEEDLO C=CCOc1ccc(CNC(=O)NCC[N@@H+]2CCO[C@H](CC)C2)cc1 ZINC000357162078 465822558 /nfs/dbraw/zinc/82/25/58/465822558.db2.gz YIDJVXYCUMNSTG-QGZVFWFLSA-N 1 2 347.459 2.161 20 30 EEEDLO C=CCOc1ccc(CNC(=O)NCC[N@H+]2CCO[C@H](CC)C2)cc1 ZINC000357162078 465822569 /nfs/dbraw/zinc/82/25/69/465822569.db2.gz YIDJVXYCUMNSTG-QGZVFWFLSA-N 1 2 347.459 2.161 20 30 EEEDLO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)c1C ZINC000345120391 465829476 /nfs/dbraw/zinc/82/94/76/465829476.db2.gz AUNWHNZKNIXVPI-QGZVFWFLSA-N 1 2 340.471 2.376 20 30 EEEDLO COc1cc(OC)cc(C(=O)N2CC[NH+](CCC(C)(C)C#N)CC2)c1 ZINC000345709768 465895119 /nfs/dbraw/zinc/89/51/19/465895119.db2.gz JPBGHXXKZNVPPM-UHFFFAOYSA-N 1 2 345.443 2.401 20 30 EEEDLO CCc1ccccc1NC(=O)C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345843920 465909862 /nfs/dbraw/zinc/90/98/62/465909862.db2.gz GLVGBBGFDSRWRN-CQSZACIVSA-N 1 2 342.443 2.070 20 30 EEEDLO CCc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345843920 465909872 /nfs/dbraw/zinc/90/98/72/465909872.db2.gz GLVGBBGFDSRWRN-CQSZACIVSA-N 1 2 342.443 2.070 20 30 EEEDLO C[NH+](C)[C@@]1(CNC(=O)N=c2nc(C(C)(C)C)[nH]s2)CCSC1 ZINC000331302878 466021474 /nfs/dbraw/zinc/02/14/74/466021474.db2.gz VPAJHNSAERIRTA-CQSZACIVSA-N 1 2 343.522 2.021 20 30 EEEDLO N#CCOc1ccc(/C=C/C(=O)NC[C@H]2CCCn3cc[nH+]c32)cc1 ZINC000372162836 466197190 /nfs/dbraw/zinc/19/71/90/466197190.db2.gz BLKKDMCTPQYQMS-CDVVCGDMSA-N 1 2 336.395 2.492 20 30 EEEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)[C@H]1C ZINC000347131474 466416080 /nfs/dbraw/zinc/41/60/80/466416080.db2.gz REMTUAQGJYAQQX-QWHCGFSZSA-N 1 2 347.440 2.124 20 30 EEEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)[C@H]1C ZINC000347131474 466416086 /nfs/dbraw/zinc/41/60/86/466416086.db2.gz REMTUAQGJYAQQX-QWHCGFSZSA-N 1 2 347.440 2.124 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2c(F)cc(C#N)cc2F)CCO1 ZINC000332408582 466540580 /nfs/dbraw/zinc/54/05/80/466540580.db2.gz IRQQPMUTDSGSQB-ABAIWWIYSA-N 1 2 346.337 2.220 20 30 EEEDLO Cc1nnc([C@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[nH]1 ZINC000332500427 466542896 /nfs/dbraw/zinc/54/28/96/466542896.db2.gz YOXGCBGYFXPYSY-LBPRGKRZSA-N 1 2 338.415 2.397 20 30 EEEDLO COC(=O)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000358223649 466552512 /nfs/dbraw/zinc/55/25/12/466552512.db2.gz OIZDQILIADNUNK-UHFFFAOYSA-N 1 2 349.818 2.425 20 30 EEEDLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000350640947 466560196 /nfs/dbraw/zinc/56/01/96/466560196.db2.gz ZUTOTLKPQOTKBE-UHFFFAOYSA-N 1 2 334.177 2.376 20 30 EEEDLO C[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)CC(C)(C)C#N ZINC000433283581 467314936 /nfs/dbraw/zinc/31/49/36/467314936.db2.gz CYYNIBBUXLMVBE-UHFFFAOYSA-N 1 2 343.471 2.333 20 30 EEEDLO C[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)CC(C)(C)C#N ZINC000433283581 467314939 /nfs/dbraw/zinc/31/49/39/467314939.db2.gz CYYNIBBUXLMVBE-UHFFFAOYSA-N 1 2 343.471 2.333 20 30 EEEDLO CC1(C)C[C@]1(C#N)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452161955 467335858 /nfs/dbraw/zinc/33/58/58/467335858.db2.gz HECVZOVNBMBPAA-MRXNPFEDSA-N 1 2 325.328 2.203 20 30 EEEDLO Cc1ccc(-n2cnnc2SC[C@@H](O)C[N@H+](C)CCC#N)c(C)c1 ZINC000414093283 467376553 /nfs/dbraw/zinc/37/65/53/467376553.db2.gz HCOUCRGXSIXKJI-HNNXBMFYSA-N 1 2 345.472 2.183 20 30 EEEDLO Cc1ccc(-n2cnnc2SC[C@@H](O)C[N@@H+](C)CCC#N)c(C)c1 ZINC000414093283 467376558 /nfs/dbraw/zinc/37/65/58/467376558.db2.gz HCOUCRGXSIXKJI-HNNXBMFYSA-N 1 2 345.472 2.183 20 30 EEEDLO C=CCNC(=O)c1cccc(-c2noc([C@H]3C[N@H+](CC)CCO3)n2)c1 ZINC000420506126 467422149 /nfs/dbraw/zinc/42/21/49/467422149.db2.gz RICDGUXWYBCDQG-OAHLLOKOSA-N 1 2 342.399 2.046 20 30 EEEDLO C=CCNC(=O)c1cccc(-c2noc([C@H]3C[N@@H+](CC)CCO3)n2)c1 ZINC000420506126 467422154 /nfs/dbraw/zinc/42/21/54/467422154.db2.gz RICDGUXWYBCDQG-OAHLLOKOSA-N 1 2 342.399 2.046 20 30 EEEDLO C=CC[C@H](C)NC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000441165652 467571701 /nfs/dbraw/zinc/57/17/01/467571701.db2.gz GJSQZCFJTWMTNI-GUYCJALGSA-N 1 2 325.453 2.056 20 30 EEEDLO C=CC[C@@H](CC)NC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000441134081 467571772 /nfs/dbraw/zinc/57/17/72/467571772.db2.gz JCBPXYNTIHVDFD-RDTXWAMCSA-N 1 2 339.480 2.446 20 30 EEEDLO Cn1cc(I)c(C[NH2+][C@@H]2CCC[C@H](C#N)C2)n1 ZINC000449601845 467668891 /nfs/dbraw/zinc/66/88/91/467668891.db2.gz AXZNUPZCMQQLAN-VHSXEESVSA-N 1 2 344.200 2.197 20 30 EEEDLO C=CCOc1ccc(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1OC ZINC000449652594 467677836 /nfs/dbraw/zinc/67/78/36/467677836.db2.gz QJNUOYBDTLLPNQ-CYBMUJFWSA-N 1 2 340.370 2.235 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 ZINC000496882029 467731038 /nfs/dbraw/zinc/73/10/38/467731038.db2.gz IUGPHKVIDNJWCZ-UHFFFAOYSA-N 1 2 347.415 2.408 20 30 EEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000472346477 467987641 /nfs/dbraw/zinc/98/76/41/467987641.db2.gz JBZKFNOFCXVJIA-QGZVFWFLSA-N 1 2 329.363 2.205 20 30 EEEDLO CCOC(=O)C1([N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)CCCCC1 ZINC000478042523 467994978 /nfs/dbraw/zinc/99/49/78/467994978.db2.gz QKFZPDWZRUYUFT-KRWDZBQOSA-N 1 2 337.464 2.239 20 30 EEEDLO CCOC(=O)C1([N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)CCCCC1 ZINC000478042523 467994980 /nfs/dbraw/zinc/99/49/80/467994980.db2.gz QKFZPDWZRUYUFT-KRWDZBQOSA-N 1 2 337.464 2.239 20 30 EEEDLO C=CCSc1ccccc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000486951618 468014234 /nfs/dbraw/zinc/01/42/34/468014234.db2.gz SNYSSNBAFCADGJ-AWEZNQCLSA-N 1 2 345.424 2.202 20 30 EEEDLO C=CCSc1ccccc1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000486951618 468014238 /nfs/dbraw/zinc/01/42/38/468014238.db2.gz SNYSSNBAFCADGJ-AWEZNQCLSA-N 1 2 345.424 2.202 20 30 EEEDLO CCN1CCN(C(=O)[C@]2(C#N)CC23CCCC3)C[C@H]1c1[nH]cc[nH+]1 ZINC000516147667 468015239 /nfs/dbraw/zinc/01/52/39/468015239.db2.gz WUTQQLHZQHDAMY-KBXCAEBGSA-N 1 2 327.432 2.089 20 30 EEEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000495951688 468108908 /nfs/dbraw/zinc/10/89/08/468108908.db2.gz RIJYITOZUVPLBL-SNPRPXQTSA-N 1 2 349.479 2.479 20 30 EEEDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)cc2Cl)CCO1 ZINC000488912598 468111660 /nfs/dbraw/zinc/11/16/60/468111660.db2.gz HCDOZKNYXFOZER-ZDUSSCGKSA-N 1 2 336.823 2.444 20 30 EEEDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)cc2Cl)CCO1 ZINC000488912598 468111661 /nfs/dbraw/zinc/11/16/61/468111661.db2.gz HCDOZKNYXFOZER-ZDUSSCGKSA-N 1 2 336.823 2.444 20 30 EEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)c2ccccc2C1 ZINC000489291261 468126261 /nfs/dbraw/zinc/12/62/61/468126261.db2.gz XVPAJYUAWBASNI-UHFFFAOYSA-N 1 2 345.399 2.338 20 30 EEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)c2ccccc2C1 ZINC000489291261 468126263 /nfs/dbraw/zinc/12/62/63/468126263.db2.gz XVPAJYUAWBASNI-UHFFFAOYSA-N 1 2 345.399 2.338 20 30 EEEDLO C[C@@H](CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)n1cc[nH+]c1 ZINC000565777516 468138215 /nfs/dbraw/zinc/13/82/15/468138215.db2.gz LCDXFAMWTLCHHR-FUHWJXTLSA-N 1 2 337.427 2.071 20 30 EEEDLO CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000567114289 468164808 /nfs/dbraw/zinc/16/48/08/468164808.db2.gz INQRJZPTKFCHOP-UGSOOPFHSA-N 1 2 342.447 2.284 20 30 EEEDLO Cc1cc(C#N)cnc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000549403367 468183564 /nfs/dbraw/zinc/18/35/64/468183564.db2.gz KJHCJQZHXYNUOU-UHFFFAOYSA-N 1 2 345.406 2.091 20 30 EEEDLO N#Cc1cccc(C(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)n1 ZINC000589853286 468189431 /nfs/dbraw/zinc/18/94/31/468189431.db2.gz IKTRGXPCFNCOGM-INIZCTEOSA-N 1 2 326.787 2.393 20 30 EEEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000582341609 468525578 /nfs/dbraw/zinc/52/55/78/468525578.db2.gz BQSKGFDOTFHACX-ABAIWWIYSA-N 1 2 338.333 2.299 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000592152416 468641420 /nfs/dbraw/zinc/64/14/20/468641420.db2.gz XLDJSQZLVFRFHD-AWEZNQCLSA-N 1 2 339.189 2.028 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000592152416 468641425 /nfs/dbraw/zinc/64/14/25/468641425.db2.gz XLDJSQZLVFRFHD-AWEZNQCLSA-N 1 2 339.189 2.028 20 30 EEEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc3ccccc3n2CC#N)[C@@H](C)CO1 ZINC000597996260 468733929 /nfs/dbraw/zinc/73/39/29/468733929.db2.gz IBFAWVMJYPBPGW-LSDHHAIUSA-N 1 2 340.427 2.004 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc3ccccc3n2CC#N)[C@@H](C)CO1 ZINC000597996260 468733932 /nfs/dbraw/zinc/73/39/32/468733932.db2.gz IBFAWVMJYPBPGW-LSDHHAIUSA-N 1 2 340.427 2.004 20 30 EEEDLO N#C[C@]1(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC12CCCC2 ZINC000560074777 468764682 /nfs/dbraw/zinc/76/46/82/468764682.db2.gz NUDVWDFKUNLAOS-IBGZPJMESA-N 1 2 340.427 2.008 20 30 EEEDLO N#CC1(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000571315196 468771729 /nfs/dbraw/zinc/77/17/29/468771729.db2.gz AVOYGGJTCQJJLL-UHFFFAOYSA-N 1 2 343.246 2.116 20 30 EEEDLO COCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000595296890 468804465 /nfs/dbraw/zinc/80/44/65/468804465.db2.gz NNMXPFVQWZFAMO-UHFFFAOYSA-N 1 2 330.344 2.412 20 30 EEEDLO COCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000595296890 468804471 /nfs/dbraw/zinc/80/44/71/468804471.db2.gz NNMXPFVQWZFAMO-UHFFFAOYSA-N 1 2 330.344 2.412 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1Nc1nc(N[C@@H]2CCO[C@H]2C=C)c(Cl)c[nH+]1 ZINC000584332215 468845763 /nfs/dbraw/zinc/84/57/63/468845763.db2.gz NVTPRQXPEBCMSP-MQYQWHSLSA-N 1 2 336.823 2.641 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)Cc1c[nH+]c[nH]1 ZINC000595595344 468915763 /nfs/dbraw/zinc/91/57/63/468915763.db2.gz UQLZHSZRHZVDNR-SNVBAGLBSA-N 1 2 329.429 2.291 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)Cc1c[nH]c[nH+]1 ZINC000595595344 468915766 /nfs/dbraw/zinc/91/57/66/468915766.db2.gz UQLZHSZRHZVDNR-SNVBAGLBSA-N 1 2 329.429 2.291 20 30 EEEDLO Cc1oc(NC(=O)C[NH2+][C@@H](CO)c2ccc(F)cc2F)c(C#N)c1C ZINC000595868246 469054401 /nfs/dbraw/zinc/05/44/01/469054401.db2.gz VEAXKKKOJVJOOY-HNNXBMFYSA-N 1 2 349.337 2.308 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000573652827 469177101 /nfs/dbraw/zinc/17/71/01/469177101.db2.gz IALVPFFKXLOXPS-PMPSAXMXSA-N 1 2 329.375 2.356 20 30 EEEDLO COC(=O)C1([NH2+]C[C@H](O)COc2ccccc2C#N)CCCCCC1 ZINC000599352938 469222774 /nfs/dbraw/zinc/22/27/74/469222774.db2.gz SRVQGDMDQFKVKO-INIZCTEOSA-N 1 2 346.427 2.154 20 30 EEEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCN(c3cccc(F)c3)CC2)cc1 ZINC000603015125 469223244 /nfs/dbraw/zinc/22/32/44/469223244.db2.gz ONCDXQRDDLMTFY-SFHVURJKSA-N 1 2 338.386 2.046 20 30 EEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCN(C(=O)C2CC2)CC1(C)C ZINC000611462961 469254211 /nfs/dbraw/zinc/25/42/11/469254211.db2.gz SBQGONXNSAZEDX-UHFFFAOYSA-N 1 2 327.428 2.400 20 30 EEEDLO COc1cc(C#N)ccc1C[N@H+]1CCN(C(=O)C2CC2)CC1(C)C ZINC000611462961 469254217 /nfs/dbraw/zinc/25/42/17/469254217.db2.gz SBQGONXNSAZEDX-UHFFFAOYSA-N 1 2 327.428 2.400 20 30 EEEDLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H](CCC#N)c2ccccc2)[C@@H](C)CO1 ZINC000596503565 469286114 /nfs/dbraw/zinc/28/61/14/469286114.db2.gz NAPCCZUKVAILQN-LZLYRXPVSA-N 1 2 344.459 2.440 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H](CCC#N)c2ccccc2)[C@@H](C)CO1 ZINC000596503565 469286118 /nfs/dbraw/zinc/28/61/18/469286118.db2.gz NAPCCZUKVAILQN-LZLYRXPVSA-N 1 2 344.459 2.440 20 30 EEEDLO Cc1ccc(C#N)cc1NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000596708997 469340518 /nfs/dbraw/zinc/34/05/18/469340518.db2.gz SSTOVEVNEKBBSH-UHFFFAOYSA-N 1 2 342.443 2.443 20 30 EEEDLO N#CCC1CC[NH+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000602596685 469378290 /nfs/dbraw/zinc/37/82/90/469378290.db2.gz MSVAXAQYJUEUIM-UHFFFAOYSA-N 1 2 327.837 2.113 20 30 EEEDLO C[C@]1(C#N)CCC[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000612164048 469408810 /nfs/dbraw/zinc/40/88/10/469408810.db2.gz XENSUMJPTUWFPW-LJQANCHMSA-N 1 2 344.434 2.100 20 30 EEEDLO C[C@]1(C#N)CCC[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000612164048 469408815 /nfs/dbraw/zinc/40/88/15/469408815.db2.gz XENSUMJPTUWFPW-LJQANCHMSA-N 1 2 344.434 2.100 20 30 EEEDLO C=CC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000604901133 469525701 /nfs/dbraw/zinc/52/57/01/469525701.db2.gz FSPFQAPKHXPNHA-OAHLLOKOSA-N 1 2 345.443 2.250 20 30 EEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000619716289 469668389 /nfs/dbraw/zinc/66/83/89/469668389.db2.gz HOYQZUFULJHDLL-KRWDZBQOSA-N 1 2 348.418 2.190 20 30 EEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000614297765 469902935 /nfs/dbraw/zinc/90/29/35/469902935.db2.gz ACJJZKSZARTXBA-AWEZNQCLSA-N 1 2 336.395 2.178 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609632817 469952068 /nfs/dbraw/zinc/95/20/68/469952068.db2.gz SYBBJVCEOBIYLI-OAHLLOKOSA-N 1 2 330.413 2.089 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000610002216 469973855 /nfs/dbraw/zinc/97/38/55/469973855.db2.gz PZRVHSPPKGETBO-IPYPFGDCSA-N 1 2 349.397 2.473 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000610002216 469973859 /nfs/dbraw/zinc/97/38/59/469973859.db2.gz PZRVHSPPKGETBO-IPYPFGDCSA-N 1 2 349.397 2.473 20 30 EEEDLO COCCN(Cc1ccc(C#N)cc1)c1cc(-n2cc[nH+]c2)ncn1 ZINC000610130864 469983110 /nfs/dbraw/zinc/98/31/10/469983110.db2.gz MSGXUHJMCCMQQD-UHFFFAOYSA-N 1 2 334.383 2.187 20 30 EEEDLO Cc1ncsc1C[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625150570 470085714 /nfs/dbraw/zinc/08/57/14/470085714.db2.gz FDJMCFRJPDJNQE-UHFFFAOYSA-N 1 2 339.420 2.183 20 30 EEEDLO Cc1ncsc1C[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625150570 470085717 /nfs/dbraw/zinc/08/57/17/470085717.db2.gz FDJMCFRJPDJNQE-UHFFFAOYSA-N 1 2 339.420 2.183 20 30 EEEDLO C=CCCn1cc(CNc2cc(CC)[nH+]c(-c3ccncc3)n2)nn1 ZINC000631313548 470117446 /nfs/dbraw/zinc/11/74/46/470117446.db2.gz QMBIEUOEPSVJQF-UHFFFAOYSA-N 1 2 335.415 2.303 20 30 EEEDLO C=C[C@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1 ZINC000639328053 470468601 /nfs/dbraw/zinc/46/86/01/470468601.db2.gz UQCWGXDDYIWMEA-CYBMUJFWSA-N 1 2 347.440 2.473 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@H]2CCN(C(C)=O)c3ccccc32)nn1 ZINC000657418459 471131032 /nfs/dbraw/zinc/13/10/32/471131032.db2.gz GOWRFPQRRHTKKA-KRWDZBQOSA-N 1 2 325.416 2.442 20 30 EEEDLO C=C(C)Cn1c(Nc2c(C)n[nH]c2C)nnc1[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000669350994 471465173 /nfs/dbraw/zinc/46/51/73/471465173.db2.gz WRHMAYZPUFLTMT-BXUZGUMPSA-N 1 2 345.451 2.329 20 30 EEEDLO C=C(C)Cn1c(Nc2c(C)n[nH]c2C)nnc1[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000669350994 471465175 /nfs/dbraw/zinc/46/51/75/471465175.db2.gz WRHMAYZPUFLTMT-BXUZGUMPSA-N 1 2 345.451 2.329 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC)cc2)nn1 ZINC000653665113 471704541 /nfs/dbraw/zinc/70/45/41/471704541.db2.gz SYGNZWCOKBCGJJ-AWEZNQCLSA-N 1 2 348.472 2.499 20 30 EEEDLO C=CC[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000660305133 471935515 /nfs/dbraw/zinc/93/55/15/471935515.db2.gz KJGLGEMHBFVIFQ-INIZCTEOSA-N 1 2 344.459 2.416 20 30 EEEDLO C=CCCNC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000665945030 472246771 /nfs/dbraw/zinc/24/67/71/472246771.db2.gz AVTCWNCFFBMTGZ-UHFFFAOYSA-N 1 2 347.850 2.391 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000672762064 486188943 /nfs/dbraw/zinc/18/89/43/486188943.db2.gz OHMQLXJNJVXJMQ-OAHLLOKOSA-N 1 2 342.443 2.162 20 30 EEEDLO CCC#C[C@@H](C)[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000677476366 486440070 /nfs/dbraw/zinc/44/00/70/486440070.db2.gz OGKIAIZOHIBVGO-OAHLLOKOSA-N 1 2 338.448 2.324 20 30 EEEDLO CCC#C[C@@H](C)[N@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000677476366 486440073 /nfs/dbraw/zinc/44/00/73/486440073.db2.gz OGKIAIZOHIBVGO-OAHLLOKOSA-N 1 2 338.448 2.324 20 30 EEEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000361476939 534643612 /nfs/dbraw/zinc/64/36/12/534643612.db2.gz FRHOZBLVRJYPRK-KRWDZBQOSA-N 1 2 342.468 2.432 20 30 EEEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000361476939 534643616 /nfs/dbraw/zinc/64/36/16/534643616.db2.gz FRHOZBLVRJYPRK-KRWDZBQOSA-N 1 2 342.468 2.432 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(CC)cc2)CC1 ZINC000339002068 526770540 /nfs/dbraw/zinc/77/05/40/526770540.db2.gz IXQQKSVXVPHRJL-QGZVFWFLSA-N 1 2 346.471 2.363 20 30 EEEDLO C=CCOc1cccc(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000105017788 526916681 /nfs/dbraw/zinc/91/66/81/526916681.db2.gz UZFAZUBIKHCGHT-CABCVRRESA-N 1 2 333.432 2.482 20 30 EEEDLO C=CC[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000117049281 527132338 /nfs/dbraw/zinc/13/23/38/527132338.db2.gz GCYIIZIPVZHWAL-WMZOPIPTSA-N 1 2 331.460 2.194 20 30 EEEDLO CO[C@@H](C)CO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000495383201 536878671 /nfs/dbraw/zinc/87/86/71/536878671.db2.gz ZWWGJMJCJMYANU-LBPRGKRZSA-N 1 2 337.420 2.383 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2ccc3nc(CC)c(CC)nc3c2)CC1 ZINC000725906211 576123135 /nfs/dbraw/zinc/12/31/35/576123135.db2.gz YOIREALQILUKLF-UHFFFAOYSA-N 1 2 336.439 2.146 20 30 EEEDLO C[C@@H](C[NH+]1CCN(C)CC1)/N=C\c1cc(Br)ccc1O ZINC000730147024 576720642 /nfs/dbraw/zinc/72/06/42/576720642.db2.gz JPTXEDWUYDMGTJ-NJPLLEPOSA-N 1 2 340.265 2.210 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCC ZINC000774004212 577377911 /nfs/dbraw/zinc/37/79/11/577377911.db2.gz GXFYALQSZJSULG-SFHVURJKSA-N 1 2 339.439 2.412 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCC ZINC000774004212 577377913 /nfs/dbraw/zinc/37/79/13/577377913.db2.gz GXFYALQSZJSULG-SFHVURJKSA-N 1 2 339.439 2.412 20 30 EEEDLO Cc1cccc2[nH]c([C@H](C#N)C(=O)C[N@@H+](C)[C@@H]3CCSC3)nc21 ZINC000774106175 577383760 /nfs/dbraw/zinc/38/37/60/577383760.db2.gz VZJARJCPQJUGFZ-CHWSQXEVSA-N 1 2 328.441 2.485 20 30 EEEDLO Cc1cccc2[nH]c([C@H](C#N)C(=O)C[N@H+](C)[C@@H]3CCSC3)nc21 ZINC000774106175 577383762 /nfs/dbraw/zinc/38/37/62/577383762.db2.gz VZJARJCPQJUGFZ-CHWSQXEVSA-N 1 2 328.441 2.485 20 30 EEEDLO C=CCOc1cccnc1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000775537543 577439143 /nfs/dbraw/zinc/43/91/43/577439143.db2.gz DZTDRLANUFMXPX-UHFFFAOYSA-N 1 2 339.386 2.448 20 30 EEEDLO C=CCOc1cccnc1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000775537543 577439144 /nfs/dbraw/zinc/43/91/44/577439144.db2.gz DZTDRLANUFMXPX-UHFFFAOYSA-N 1 2 339.386 2.448 20 30 EEEDLO C#C[C@@H](NC(=O)NCCNc1ccc2ccccc2[nH+]1)[C@H]1CCCO1 ZINC000776229076 577455250 /nfs/dbraw/zinc/45/52/50/577455250.db2.gz UKSURMSFUSZMNI-NVXWUHKLSA-N 1 2 338.411 2.127 20 30 EEEDLO C#CCOCC[N@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC000766935831 577527267 /nfs/dbraw/zinc/52/72/67/577527267.db2.gz ATPSTWQDAWXESK-AWEZNQCLSA-N 1 2 340.217 2.245 20 30 EEEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)CC(C)(C)OC)c1=S ZINC000765074388 577494225 /nfs/dbraw/zinc/49/42/25/577494225.db2.gz QHKDWTHAAUMKPL-UHFFFAOYSA-N 1 2 348.476 2.371 20 30 EEEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)CC(C)(C)OC)c1=S ZINC000765074388 577494226 /nfs/dbraw/zinc/49/42/26/577494226.db2.gz QHKDWTHAAUMKPL-UHFFFAOYSA-N 1 2 348.476 2.371 20 30 EEEDLO C[NH+](C)c1ccc(-n2ccnc2SCC(=O)NCCC#N)cc1 ZINC000765605517 577503856 /nfs/dbraw/zinc/50/38/56/577503856.db2.gz LZCHKDWYPXFFIE-UHFFFAOYSA-N 1 2 329.429 2.060 20 30 EEEDLO C[S@@](=O)CC[NH+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000766080129 577512427 /nfs/dbraw/zinc/51/24/27/577512427.db2.gz LJEHQFVCCSIJAO-HSZRJFAPSA-N 1 2 345.390 2.078 20 30 EEEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000766900867 577526744 /nfs/dbraw/zinc/52/67/44/577526744.db2.gz GOIITIZXVWMFES-ZDUSSCGKSA-N 1 2 341.333 2.162 20 30 EEEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000766900867 577526745 /nfs/dbraw/zinc/52/67/45/577526745.db2.gz GOIITIZXVWMFES-ZDUSSCGKSA-N 1 2 341.333 2.162 20 30 EEEDLO C#CCOCC[N@@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC000766935831 577527266 /nfs/dbraw/zinc/52/72/66/577527266.db2.gz ATPSTWQDAWXESK-AWEZNQCLSA-N 1 2 340.217 2.245 20 30 EEEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(O)(c3ccccc3)CC2)cc1 ZINC000767856708 577546487 /nfs/dbraw/zinc/54/64/87/577546487.db2.gz AHARHKRVQMNGFW-SFHVURJKSA-N 1 2 335.407 2.068 20 30 EEEDLO C#Cc1ccc(C(=O)Nc2cc(C)nn2-c2cc(C)[nH+]c(C)n2)cn1 ZINC000769696782 577582473 /nfs/dbraw/zinc/58/24/73/577582473.db2.gz MHKJAEQLWPIOJU-UHFFFAOYSA-N 1 2 332.367 2.216 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CN2c3ccccc3S[C@H](C)[C@@H]2C)CC1 ZINC000759345597 577641369 /nfs/dbraw/zinc/64/13/69/577641369.db2.gz JJOAFFZDHNVJJR-JKSUJKDBSA-N 1 2 343.496 2.153 20 30 EEEDLO N#CCCN1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000760943612 577672572 /nfs/dbraw/zinc/67/25/72/577672572.db2.gz MQTPYEFBVAWLGU-UHFFFAOYSA-N 1 2 337.423 2.313 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(SCCC(=O)OC)c1 ZINC000756045193 577837405 /nfs/dbraw/zinc/83/74/05/577837405.db2.gz BVYNXJFHVBOZTH-INIZCTEOSA-N 1 2 346.452 2.378 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(SCCC(=O)OC)c1 ZINC000756045193 577837406 /nfs/dbraw/zinc/83/74/06/577837406.db2.gz BVYNXJFHVBOZTH-INIZCTEOSA-N 1 2 346.452 2.378 20 30 EEEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000743855262 577890617 /nfs/dbraw/zinc/89/06/17/577890617.db2.gz IQUXPYUZPSCHKO-HUUCEWRRSA-N 1 2 333.863 2.157 20 30 EEEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000743855262 577890618 /nfs/dbraw/zinc/89/06/18/577890618.db2.gz IQUXPYUZPSCHKO-HUUCEWRRSA-N 1 2 333.863 2.157 20 30 EEEDLO C#CCNC(=O)[C@H](C)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000743855260 577890679 /nfs/dbraw/zinc/89/06/79/577890679.db2.gz IQUXPYUZPSCHKO-CABCVRRESA-N 1 2 333.863 2.157 20 30 EEEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000743855260 577890680 /nfs/dbraw/zinc/89/06/80/577890680.db2.gz IQUXPYUZPSCHKO-CABCVRRESA-N 1 2 333.863 2.157 20 30 EEEDLO C#CC[N@@H+](CC(=O)Nc1cccc(S(C)(=O)=O)c1)C1CCCCC1 ZINC000744213778 577894718 /nfs/dbraw/zinc/89/47/18/577894718.db2.gz BRQJXBAASPHYCJ-UHFFFAOYSA-N 1 2 348.468 2.297 20 30 EEEDLO C#CC[N@H+](CC(=O)Nc1cccc(S(C)(=O)=O)c1)C1CCCCC1 ZINC000744213778 577894719 /nfs/dbraw/zinc/89/47/19/577894719.db2.gz BRQJXBAASPHYCJ-UHFFFAOYSA-N 1 2 348.468 2.297 20 30 EEEDLO CCC(=O)N1CCC2(CC1)C[N@H+](Cc1ccc(C#N)c(F)c1)CCO2 ZINC000949261081 674682014 /nfs/dbraw/zinc/68/20/14/674682014.db2.gz GMGQUGFCANOPLF-UHFFFAOYSA-N 1 2 345.418 2.301 20 30 EEEDLO CCC(=O)N1CCC2(CC1)C[N@@H+](Cc1ccc(C#N)c(F)c1)CCO2 ZINC000949261081 674682016 /nfs/dbraw/zinc/68/20/16/674682016.db2.gz GMGQUGFCANOPLF-UHFFFAOYSA-N 1 2 345.418 2.301 20 30 EEEDLO C[C@H](NC(=O)c1ccncc1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969203305 674691855 /nfs/dbraw/zinc/69/18/55/674691855.db2.gz RTVOZSVDMVWPCK-ZDUSSCGKSA-N 1 2 338.386 2.343 20 30 EEEDLO C[C@H](NC(=O)c1cncs1)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000969358081 674882621 /nfs/dbraw/zinc/88/26/21/674882621.db2.gz DTRJFQKEYICVLC-ZDUSSCGKSA-N 1 2 343.427 2.384 20 30 EEEDLO C[C@H](NC(=O)c1ccc(F)nc1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969390975 674936226 /nfs/dbraw/zinc/93/62/26/674936226.db2.gz DVTVQHGSUQNDTO-ZDUSSCGKSA-N 1 2 338.386 2.343 20 30 EEEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969526241 675092332 /nfs/dbraw/zinc/09/23/32/675092332.db2.gz LRBGNVDWBLMZIQ-CYBMUJFWSA-N 1 2 333.395 2.008 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]([NH2+]Cc3noc(-c4ccoc4)n3)C2)C1 ZINC001020563671 675142246 /nfs/dbraw/zinc/14/22/46/675142246.db2.gz RAKVPYNWOMSTPG-HDJSIYSDSA-N 1 2 342.399 2.423 20 30 EEEDLO C[C@H](NC(=O)c1cc[nH]c1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969730858 675177123 /nfs/dbraw/zinc/17/71/23/675177123.db2.gz UHCVJWCCMHGIID-LBPRGKRZSA-N 1 2 326.375 2.276 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(-c3cnn(C)c3)o2)C1 ZINC000970715826 676098848 /nfs/dbraw/zinc/09/88/48/676098848.db2.gz IWCWVSKKCHJDNQ-GFCCVEGCSA-N 1 2 348.834 2.483 20 30 EEEDLO Cc1noc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3C#N)C2)c1C ZINC000969923340 675314552 /nfs/dbraw/zinc/31/45/52/675314552.db2.gz RPEOGYYPBRNWQW-AWEZNQCLSA-N 1 2 338.411 2.413 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)c2cocn2)C1 ZINC000971180105 676430347 /nfs/dbraw/zinc/43/03/47/676430347.db2.gz FIGDDLCMOKBGOY-HNNXBMFYSA-N 1 2 328.347 2.032 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)c2cocn2)C1 ZINC000971180105 676430349 /nfs/dbraw/zinc/43/03/49/676430349.db2.gz FIGDDLCMOKBGOY-HNNXBMFYSA-N 1 2 328.347 2.032 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)c(C)s1 ZINC000971364090 676503743 /nfs/dbraw/zinc/50/37/43/676503743.db2.gz OOAMSWLRKBZOOL-CQSZACIVSA-N 1 2 343.456 2.306 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)c(C)s1 ZINC000971364090 676503744 /nfs/dbraw/zinc/50/37/44/676503744.db2.gz OOAMSWLRKBZOOL-CQSZACIVSA-N 1 2 343.456 2.306 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2c(C)ccn2C)C1 ZINC000971410196 676534682 /nfs/dbraw/zinc/53/46/82/676534682.db2.gz NWLULEVTCUVYGK-CYBMUJFWSA-N 1 2 340.265 2.388 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2c(C)ccn2C)C1 ZINC000971410196 676534684 /nfs/dbraw/zinc/53/46/84/676534684.db2.gz NWLULEVTCUVYGK-CYBMUJFWSA-N 1 2 340.265 2.388 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(C(=O)C#CC3CC3)C2)nc2ccccc12 ZINC000971507292 676604308 /nfs/dbraw/zinc/60/43/08/676604308.db2.gz GOGVVVJHSQQEJV-KRWDZBQOSA-N 1 2 348.450 2.384 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@H]2CCN(C(=O)C#CC3CC3)C2)nc2ccccc12 ZINC000971507292 676604309 /nfs/dbraw/zinc/60/43/09/676604309.db2.gz GOGVVVJHSQQEJV-KRWDZBQOSA-N 1 2 348.450 2.384 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3noc(C4CC4)n3)C2)CC1 ZINC001022650993 676913606 /nfs/dbraw/zinc/91/36/06/676913606.db2.gz HMQKACYBWNNBIY-GASCZTMLSA-N 1 2 330.432 2.430 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)[C@@H](C)c3nnc(C)o3)C2)cc1 ZINC000972059908 678186238 /nfs/dbraw/zinc/18/62/38/678186238.db2.gz YFEWCOKUECGFCG-GUYCJALGSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@@H](C)c3nnc(C)o3)C2)cc1 ZINC000972059908 678186243 /nfs/dbraw/zinc/18/62/43/678186243.db2.gz YFEWCOKUECGFCG-GUYCJALGSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@H]([N@H+](C)CC(=C)Br)C2)c1 ZINC000972283941 678493627 /nfs/dbraw/zinc/49/36/27/678493627.db2.gz DLGZXJYOZFRRMJ-HNNXBMFYSA-N 1 2 348.244 2.118 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@H]([N@@H+](C)CC(=C)Br)C2)c1 ZINC000972283941 678493630 /nfs/dbraw/zinc/49/36/30/678493630.db2.gz DLGZXJYOZFRRMJ-HNNXBMFYSA-N 1 2 348.244 2.118 20 30 EEEDLO Cc1cc(C[N@@H+]2CCO[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)cs1 ZINC000972382565 678631865 /nfs/dbraw/zinc/63/18/65/678631865.db2.gz ROGGQKLARIJDKS-IBGZPJMESA-N 1 2 344.480 2.273 20 30 EEEDLO Cc1cc(C[N@H+]2CCO[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)cs1 ZINC000972382565 678631867 /nfs/dbraw/zinc/63/18/67/678631867.db2.gz ROGGQKLARIJDKS-IBGZPJMESA-N 1 2 344.480 2.273 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(C(C)(C)C)c3C)C2)C1 ZINC000972401468 678685997 /nfs/dbraw/zinc/68/59/97/678685997.db2.gz BBKLXDNUACULQQ-IBGZPJMESA-N 1 2 346.475 2.049 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(C(C)(C)C)c3C)C2)C1 ZINC000972401468 678685998 /nfs/dbraw/zinc/68/59/98/678685998.db2.gz BBKLXDNUACULQQ-IBGZPJMESA-N 1 2 346.475 2.049 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)noc3C(C)C)C2)C1 ZINC000972420937 678717725 /nfs/dbraw/zinc/71/77/25/678717725.db2.gz CZDIQMQOHSRZIX-IBGZPJMESA-N 1 2 345.443 2.047 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)noc3C(C)C)C2)C1 ZINC000972420937 678717728 /nfs/dbraw/zinc/71/77/28/678717728.db2.gz CZDIQMQOHSRZIX-IBGZPJMESA-N 1 2 345.443 2.047 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccnc3C(F)F)C2)C1 ZINC000972460922 678792752 /nfs/dbraw/zinc/79/27/52/678792752.db2.gz MEZJSWBZTYDDLK-KRWDZBQOSA-N 1 2 337.370 2.122 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccnc3C(F)F)C2)C1 ZINC000972460922 678792756 /nfs/dbraw/zinc/79/27/56/678792756.db2.gz MEZJSWBZTYDDLK-KRWDZBQOSA-N 1 2 337.370 2.122 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4ccc(C)cc4[nH]3)C2)C1 ZINC000972486212 678871667 /nfs/dbraw/zinc/87/16/67/678871667.db2.gz FQPGYXOKSIIFKZ-HXUWFJFHSA-N 1 2 337.423 2.026 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4ccc(C)cc4[nH]3)C2)C1 ZINC000972486212 678871671 /nfs/dbraw/zinc/87/16/71/678871671.db2.gz FQPGYXOKSIIFKZ-HXUWFJFHSA-N 1 2 337.423 2.026 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001067441550 679109300 /nfs/dbraw/zinc/10/93/00/679109300.db2.gz HDTXDZSVDSOVIY-HNNXBMFYSA-N 1 2 348.491 2.498 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001067441550 679109302 /nfs/dbraw/zinc/10/93/02/679109302.db2.gz HDTXDZSVDSOVIY-HNNXBMFYSA-N 1 2 348.491 2.498 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccon2)C1 ZINC001023246087 679203023 /nfs/dbraw/zinc/20/30/23/679203023.db2.gz CHDGJPJJDXDJEI-ZDUSSCGKSA-N 1 2 342.374 2.327 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](CNC(=O)c2ccon2)C1 ZINC001023246087 679203024 /nfs/dbraw/zinc/20/30/24/679203024.db2.gz CHDGJPJJDXDJEI-ZDUSSCGKSA-N 1 2 342.374 2.327 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Cc3cccs3)C2)C1 ZINC000972572340 679328205 /nfs/dbraw/zinc/32/82/05/679328205.db2.gz HIBQRELXUPFDHJ-VQIMIIECSA-N 1 2 346.496 2.253 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Cc3cccs3)C2)C1 ZINC000972572340 679328206 /nfs/dbraw/zinc/32/82/06/679328206.db2.gz HIBQRELXUPFDHJ-VQIMIIECSA-N 1 2 346.496 2.253 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3oc(CC(C)C)nc3C)C2)C1 ZINC000972591429 679380057 /nfs/dbraw/zinc/38/00/57/679380057.db2.gz BLRYUXKTTGCTGV-IBGZPJMESA-N 1 2 347.459 2.284 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3oc(CC(C)C)nc3C)C2)C1 ZINC000972591429 679380059 /nfs/dbraw/zinc/38/00/59/679380059.db2.gz BLRYUXKTTGCTGV-IBGZPJMESA-N 1 2 347.459 2.284 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc4c3ccn4C)C2)C1 ZINC000972598073 679397377 /nfs/dbraw/zinc/39/73/77/679397377.db2.gz ZOKPZWXERCMBGY-HXUWFJFHSA-N 1 2 339.439 2.281 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc4c3ccn4C)C2)C1 ZINC000972598073 679397378 /nfs/dbraw/zinc/39/73/78/679397378.db2.gz ZOKPZWXERCMBGY-HXUWFJFHSA-N 1 2 339.439 2.281 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4ccncc4c3)C2)C1 ZINC000972626966 679452177 /nfs/dbraw/zinc/45/21/77/679452177.db2.gz GTBYLPAYRBLYHE-OAQYLSRUSA-N 1 2 349.434 2.175 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4ccncc4c3)C2)C1 ZINC000972626966 679452178 /nfs/dbraw/zinc/45/21/78/679452178.db2.gz GTBYLPAYRBLYHE-OAQYLSRUSA-N 1 2 349.434 2.175 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)c3ccco3)C2)C1 ZINC000972641819 679481828 /nfs/dbraw/zinc/48/18/28/679481828.db2.gz YCFMIXJPWFUMJI-LPHOPBHVSA-N 1 2 330.428 2.100 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)c3ccco3)C2)C1 ZINC000972641819 679481830 /nfs/dbraw/zinc/48/18/30/679481830.db2.gz YCFMIXJPWFUMJI-LPHOPBHVSA-N 1 2 330.428 2.100 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000972644493 679496618 /nfs/dbraw/zinc/49/66/18/679496618.db2.gz XXXJBFDXBJAVME-ZVDOUQERSA-N 1 2 338.451 2.117 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000972644493 679496621 /nfs/dbraw/zinc/49/66/21/679496621.db2.gz XXXJBFDXBJAVME-ZVDOUQERSA-N 1 2 338.451 2.117 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3ccc(C)cc3)C2)C1 ZINC000972644487 679496645 /nfs/dbraw/zinc/49/66/45/679496645.db2.gz XWVFJHHFKSJUNH-GHTZIAJQSA-N 1 2 340.467 2.425 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3ccc(C)cc3)C2)C1 ZINC000972644487 679496647 /nfs/dbraw/zinc/49/66/47/679496647.db2.gz XWVFJHHFKSJUNH-GHTZIAJQSA-N 1 2 340.467 2.425 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)c(C)s3)C2)C1 ZINC000972667156 679549892 /nfs/dbraw/zinc/54/98/92/679549892.db2.gz KJWHQKXYRFMBGO-SFHVURJKSA-N 1 2 332.469 2.305 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)c(C)s3)C2)C1 ZINC000972667156 679549896 /nfs/dbraw/zinc/54/98/96/679549896.db2.gz KJWHQKXYRFMBGO-SFHVURJKSA-N 1 2 332.469 2.305 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C4CCCC4)no3)C2)C1 ZINC000972673008 679576821 /nfs/dbraw/zinc/57/68/21/679576821.db2.gz DAQKDFPAHHMKGG-LJQANCHMSA-N 1 2 345.443 2.435 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C4CCCC4)no3)C2)C1 ZINC000972673008 679576822 /nfs/dbraw/zinc/57/68/22/679576822.db2.gz DAQKDFPAHHMKGG-LJQANCHMSA-N 1 2 345.443 2.435 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)c3ccc(F)cc3)C2)C1 ZINC000972691970 679612910 /nfs/dbraw/zinc/61/29/10/679612910.db2.gz KRLYEFDDJANRDQ-ICSRJNTNSA-N 1 2 344.430 2.256 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)c3ccc(F)cc3)C2)C1 ZINC000972691970 679612911 /nfs/dbraw/zinc/61/29/11/679612911.db2.gz KRLYEFDDJANRDQ-ICSRJNTNSA-N 1 2 344.430 2.256 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)C2=COCCC2)C(C)(C)C1 ZINC000972852451 679820645 /nfs/dbraw/zinc/82/06/45/679820645.db2.gz VGWWJCVMFKVHTD-ZDUSSCGKSA-N 1 2 343.265 2.416 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)C2=COCCC2)C(C)(C)C1 ZINC000972852451 679820646 /nfs/dbraw/zinc/82/06/46/679820646.db2.gz VGWWJCVMFKVHTD-ZDUSSCGKSA-N 1 2 343.265 2.416 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2cnsn2)s1 ZINC001024341622 679877449 /nfs/dbraw/zinc/87/74/49/679877449.db2.gz JALMUKAGTJSDDG-NSHDSACASA-N 1 2 347.469 2.256 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2cnsn2)s1 ZINC001024341622 679877450 /nfs/dbraw/zinc/87/74/50/679877450.db2.gz JALMUKAGTJSDDG-NSHDSACASA-N 1 2 347.469 2.256 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)s1 ZINC001024399283 679889776 /nfs/dbraw/zinc/88/97/76/679889776.db2.gz GIOOSUGRRAEGPH-OAHLLOKOSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1cnc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)s1 ZINC001024399283 679889777 /nfs/dbraw/zinc/88/97/77/679889777.db2.gz GIOOSUGRRAEGPH-OAHLLOKOSA-N 1 2 343.456 2.436 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnc2ccnn21 ZINC001024475768 679948276 /nfs/dbraw/zinc/94/82/76/679948276.db2.gz YBHYHIZRVBMSGU-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccnc2ccnn21 ZINC001024475768 679948279 /nfs/dbraw/zinc/94/82/79/679948279.db2.gz YBHYHIZRVBMSGU-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn2ccncc12 ZINC001024483709 679959754 /nfs/dbraw/zinc/95/97/54/679959754.db2.gz YVRWBWCHHDKSHH-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnn2ccncc12 ZINC001024483709 679959759 /nfs/dbraw/zinc/95/97/59/679959759.db2.gz YVRWBWCHHDKSHH-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO Cc1sc(NC(=O)C[NH+]2CCC3(CC2)OCCO3)c(C#N)c1C ZINC000177248424 681208307 /nfs/dbraw/zinc/20/83/07/681208307.db2.gz JNIPXROHHSVWFX-UHFFFAOYSA-N 1 2 335.429 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ncnc3[nH]ccc32)C(C)(C)C1 ZINC000974773826 685423533 /nfs/dbraw/zinc/42/35/33/685423533.db2.gz KAFYSGOSVIZOPG-GFCCVEGCSA-N 1 2 333.823 2.102 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ncnc3[nH]ccc32)C(C)(C)C1 ZINC000974773826 685423539 /nfs/dbraw/zinc/42/35/39/685423539.db2.gz KAFYSGOSVIZOPG-GFCCVEGCSA-N 1 2 333.823 2.102 20 30 EEEDLO C[C@H]1OCC[C@H]1C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000982828516 681343564 /nfs/dbraw/zinc/34/35/64/681343564.db2.gz XUBGUQOAHSJKIH-VQIMIIECSA-N 1 2 344.430 2.137 20 30 EEEDLO C[C@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000982828516 681343567 /nfs/dbraw/zinc/34/35/67/681343567.db2.gz XUBGUQOAHSJKIH-VQIMIIECSA-N 1 2 344.430 2.137 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cnn2ccc(C)nc12 ZINC001024765039 681425890 /nfs/dbraw/zinc/42/58/90/681425890.db2.gz ZXCMWVIIXRZHRI-AWEZNQCLSA-N 1 2 347.850 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn2ccc(C)nc12 ZINC001024765039 681425895 /nfs/dbraw/zinc/42/58/95/681425895.db2.gz ZXCMWVIIXRZHRI-AWEZNQCLSA-N 1 2 347.850 2.375 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H]2CC[N@@H+](C/C(Cl)=C\Cl)C2)c1 ZINC001028792269 682239103 /nfs/dbraw/zinc/23/91/03/682239103.db2.gz GGJPPULRQDEPJF-WXYNBALXSA-N 1 2 338.238 2.434 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+](C/C(Cl)=C\Cl)C2)c1 ZINC001028792269 682239104 /nfs/dbraw/zinc/23/91/04/682239104.db2.gz GGJPPULRQDEPJF-WXYNBALXSA-N 1 2 338.238 2.434 20 30 EEEDLO C=CCn1cc(C(=O)NC2C[NH+](Cc3ccc4ccccc4c3)C2)nn1 ZINC001031069673 683660661 /nfs/dbraw/zinc/66/06/61/683660661.db2.gz VGSJNIXWWQDFEH-UHFFFAOYSA-N 1 2 347.422 2.232 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccon2)CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000993055496 683810377 /nfs/dbraw/zinc/81/03/77/683810377.db2.gz UZCQFUUHPFGRNN-PBHICJAKSA-N 1 2 341.386 2.448 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccon2)CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000993055496 683810387 /nfs/dbraw/zinc/81/03/87/683810387.db2.gz UZCQFUUHPFGRNN-PBHICJAKSA-N 1 2 341.386 2.448 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(C)C ZINC001026127666 683877994 /nfs/dbraw/zinc/87/79/94/683877994.db2.gz FXCIHVHJZXJZCD-MEBFFEOJSA-N 1 2 327.266 2.234 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(C)C ZINC001026127666 683877999 /nfs/dbraw/zinc/87/79/99/683877999.db2.gz FXCIHVHJZXJZCD-MEBFFEOJSA-N 1 2 327.266 2.234 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cnsn2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993106688 683932226 /nfs/dbraw/zinc/93/22/26/683932226.db2.gz HCBNLFBVKQCZRW-GOEBONIOSA-N 1 2 340.452 2.173 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cnsn2)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993106688 683932227 /nfs/dbraw/zinc/93/22/27/683932227.db2.gz HCBNLFBVKQCZRW-GOEBONIOSA-N 1 2 340.452 2.173 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ocnc1C ZINC001029312228 683965231 /nfs/dbraw/zinc/96/52/31/683965231.db2.gz WYFRQQNEWWAVII-TWMKSMIVSA-N 1 2 345.443 2.139 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ocnc1C ZINC001029312228 683965233 /nfs/dbraw/zinc/96/52/33/683965233.db2.gz WYFRQQNEWWAVII-TWMKSMIVSA-N 1 2 345.443 2.139 20 30 EEEDLO C[C@@H]1CO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)s2)C1 ZINC001029399323 684231937 /nfs/dbraw/zinc/23/19/37/684231937.db2.gz NNMVRCXZCWOQFJ-ZJOBFFGXSA-N 1 2 345.468 2.220 20 30 EEEDLO C[C@@H]1CO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)s2)C1 ZINC001029399323 684231940 /nfs/dbraw/zinc/23/19/40/684231940.db2.gz NNMVRCXZCWOQFJ-ZJOBFFGXSA-N 1 2 345.468 2.220 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cc(Cl)cn1 ZINC001029421454 684475700 /nfs/dbraw/zinc/47/57/00/684475700.db2.gz AOLVONHEZYPUST-GASCZTMLSA-N 1 2 336.867 2.424 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cc(Cl)cn1 ZINC001029421454 684475702 /nfs/dbraw/zinc/47/57/02/684475702.db2.gz AOLVONHEZYPUST-GASCZTMLSA-N 1 2 336.867 2.424 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000984458226 684566504 /nfs/dbraw/zinc/56/65/04/684566504.db2.gz KXVBINYVVUJDRZ-RBSFLKMASA-N 1 2 344.459 2.175 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000984458226 684566507 /nfs/dbraw/zinc/56/65/07/684566507.db2.gz KXVBINYVVUJDRZ-RBSFLKMASA-N 1 2 344.459 2.175 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnc3n2CCCC3)C(C)(C)C1 ZINC000974946302 685772817 /nfs/dbraw/zinc/77/28/17/685772817.db2.gz MEOMKQGUGLQDEV-CQSZACIVSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnc3n2CCCC3)C(C)(C)C1 ZINC000974946302 685772820 /nfs/dbraw/zinc/77/28/20/685772820.db2.gz MEOMKQGUGLQDEV-CQSZACIVSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(C)CCC(=O)NCC[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001060095204 693965080 /nfs/dbraw/zinc/96/50/80/693965080.db2.gz WWCGOYNKGZDHPR-MRXNPFEDSA-N 1 2 346.475 2.064 20 30 EEEDLO CC(C)c1nsc(C[N@H+](C)C2CCN(C(=O)C#CC3CC3)CC2)n1 ZINC000985431460 686705905 /nfs/dbraw/zinc/70/59/05/686705905.db2.gz PEYOFCNVDJNJBN-UHFFFAOYSA-N 1 2 346.500 2.498 20 30 EEEDLO CC(C)c1nsc(C[N@@H+](C)C2CCN(C(=O)C#CC3CC3)CC2)n1 ZINC000985431460 686705909 /nfs/dbraw/zinc/70/59/09/686705909.db2.gz PEYOFCNVDJNJBN-UHFFFAOYSA-N 1 2 346.500 2.498 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC001027311085 687357826 /nfs/dbraw/zinc/35/78/26/687357826.db2.gz HSGUKOXRTUYXIT-MRXNPFEDSA-N 1 2 341.390 2.157 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC001027311085 687357831 /nfs/dbraw/zinc/35/78/31/687357831.db2.gz HSGUKOXRTUYXIT-MRXNPFEDSA-N 1 2 341.390 2.157 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC001027311085 687357835 /nfs/dbraw/zinc/35/78/35/687357835.db2.gz HSGUKOXRTUYXIT-MRXNPFEDSA-N 1 2 341.390 2.157 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC001027311085 687357840 /nfs/dbraw/zinc/35/78/40/687357840.db2.gz HSGUKOXRTUYXIT-MRXNPFEDSA-N 1 2 341.390 2.157 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[N@H+](Cc2cncs2)CC1 ZINC000989564715 692039609 /nfs/dbraw/zinc/03/96/09/692039609.db2.gz LIPFZZKZWPVQRY-UHFFFAOYSA-N 1 2 339.464 2.401 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[N@@H+](Cc2cncs2)CC1 ZINC000989564715 692039613 /nfs/dbraw/zinc/03/96/13/692039613.db2.gz LIPFZZKZWPVQRY-UHFFFAOYSA-N 1 2 339.464 2.401 20 30 EEEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2cnc(-c3ccoc3)s2)C(C)(C)C1 ZINC000977211187 692375083 /nfs/dbraw/zinc/37/50/83/692375083.db2.gz MIGLIHQWGQAFDO-AWEZNQCLSA-N 1 2 329.425 2.477 20 30 EEEDLO C#CC[N@H+]1C[C@H](NC(=O)c2cnc(-c3ccoc3)s2)C(C)(C)C1 ZINC000977211187 692375086 /nfs/dbraw/zinc/37/50/86/692375086.db2.gz MIGLIHQWGQAFDO-AWEZNQCLSA-N 1 2 329.425 2.477 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001060073884 693465744 /nfs/dbraw/zinc/46/57/44/693465744.db2.gz PDWJZDIJTVIAQE-ZDUSSCGKSA-N 1 2 342.447 2.226 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)C2CCCCCCC2)C1=O ZINC001038494753 693644676 /nfs/dbraw/zinc/64/46/76/693644676.db2.gz WRHFYJMZGICELP-ZWKOTPCHSA-N 1 2 347.503 2.324 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)C2CCCCCCC2)C1=O ZINC001038494753 693644678 /nfs/dbraw/zinc/64/46/78/693644678.db2.gz WRHFYJMZGICELP-ZWKOTPCHSA-N 1 2 347.503 2.324 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)c1ccncc1F ZINC001027802330 694608329 /nfs/dbraw/zinc/60/83/29/694608329.db2.gz LBINEEMJXQRMNA-INIZCTEOSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)c1ccncc1F ZINC001027802330 694608333 /nfs/dbraw/zinc/60/83/33/694608333.db2.gz LBINEEMJXQRMNA-INIZCTEOSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001032121180 1192660603 /nfs/dbraw/zinc/66/06/03/1192660603.db2.gz QMGJAESZYUXJHQ-UHFFFAOYSA-N 1 2 334.423 2.237 20 30 EEEDLO CCCc1nc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)co1 ZINC001032125018 1192696627 /nfs/dbraw/zinc/69/66/27/1192696627.db2.gz BTMOCNOJIIPZJN-UHFFFAOYSA-N 1 2 344.440 2.422 20 30 EEEDLO C[N@H+](CCNC(=O)C1(C)CCOCC1)Cc1cc(C#N)ccc1F ZINC001480925451 1178528473 /nfs/dbraw/zinc/52/84/73/1178528473.db2.gz GWXXAXSELZHVML-UHFFFAOYSA-N 1 2 333.407 2.062 20 30 EEEDLO C[N@@H+](CCNC(=O)C1(C)CCOCC1)Cc1cc(C#N)ccc1F ZINC001480925451 1178528478 /nfs/dbraw/zinc/52/84/78/1178528478.db2.gz GWXXAXSELZHVML-UHFFFAOYSA-N 1 2 333.407 2.062 20 30 EEEDLO CCn1cccc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032189061 1192921748 /nfs/dbraw/zinc/92/17/48/1192921748.db2.gz JWAWWQKKPRTCLZ-UHFFFAOYSA-N 1 2 340.402 2.381 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCCCN1C(=O)C(C)C ZINC001481018161 1179505836 /nfs/dbraw/zinc/50/58/36/1179505836.db2.gz GNTFLNNURZPASD-HNNXBMFYSA-N 1 2 343.899 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCCCN1C(=O)C(C)C ZINC001481018161 1179505842 /nfs/dbraw/zinc/50/58/42/1179505842.db2.gz GNTFLNNURZPASD-HNNXBMFYSA-N 1 2 343.899 2.214 20 30 EEEDLO C=CCCC(=O)N1CC[C@H](N2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC001755016560 1179633824 /nfs/dbraw/zinc/63/38/24/1179633824.db2.gz CULFIBCFBNCELO-AWEZNQCLSA-N 1 2 333.398 2.124 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2nn(C)cc2Cl)C1 ZINC001034226771 1195962783 /nfs/dbraw/zinc/96/27/83/1195962783.db2.gz SPPQZKIHUOXNAW-NSHDSACASA-N 1 2 331.247 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2nn(C)cc2Cl)C1 ZINC001034226771 1195962787 /nfs/dbraw/zinc/96/27/87/1195962787.db2.gz SPPQZKIHUOXNAW-NSHDSACASA-N 1 2 331.247 2.410 20 30 EEEDLO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001482586356 1186999825 /nfs/dbraw/zinc/99/98/25/1186999825.db2.gz JNAVTFANSILUFK-UONOGXRCSA-N 1 2 341.415 2.347 20 30 EEEDLO C[C@H](c1nc(-c2ccccc2)no1)[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001482586356 1186999828 /nfs/dbraw/zinc/99/98/28/1186999828.db2.gz JNAVTFANSILUFK-UONOGXRCSA-N 1 2 341.415 2.347 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)c1cccc(=O)[nH]1 ZINC001482587421 1187008926 /nfs/dbraw/zinc/00/89/26/1187008926.db2.gz DNLXWFOXYUAHRN-UHFFFAOYSA-N 1 2 342.374 2.002 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)c1cccc(=O)[nH]1 ZINC001482587421 1187008929 /nfs/dbraw/zinc/00/89/29/1187008929.db2.gz DNLXWFOXYUAHRN-UHFFFAOYSA-N 1 2 342.374 2.002 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)[C@H]1C ZINC001088697772 1188297147 /nfs/dbraw/zinc/29/71/47/1188297147.db2.gz JEJXQYCUZAEDTI-CJNGLKHVSA-N 1 2 325.412 2.297 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)[C@H]1C ZINC001088697772 1188297149 /nfs/dbraw/zinc/29/71/49/1188297149.db2.gz JEJXQYCUZAEDTI-CJNGLKHVSA-N 1 2 325.412 2.297 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cccn3)nc2)[C@H]1C ZINC001088783645 1188505839 /nfs/dbraw/zinc/50/58/39/1188505839.db2.gz GVYOKZRDNVBJJO-HIFRSBDPSA-N 1 2 345.834 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cccn3)nc2)[C@H]1C ZINC001088783645 1188505841 /nfs/dbraw/zinc/50/58/41/1188505841.db2.gz GVYOKZRDNVBJJO-HIFRSBDPSA-N 1 2 345.834 2.212 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3nn(C)c4ccccc43)[C@@H]2C1 ZINC001076483682 1188935526 /nfs/dbraw/zinc/93/55/26/1188935526.db2.gz MFXSNYKSUMMJLD-XJKSGUPXSA-N 1 2 344.846 2.472 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3nn(C)c4ccccc43)[C@@H]2C1 ZINC001076483682 1188935529 /nfs/dbraw/zinc/93/55/29/1188935529.db2.gz MFXSNYKSUMMJLD-XJKSGUPXSA-N 1 2 344.846 2.472 20 30 EEEDLO N#Cc1nc(N[C@@H]2CCC[N@@H+](C3COC3)C2)ccc1C(F)(F)F ZINC001168367957 1189285618 /nfs/dbraw/zinc/28/56/18/1189285618.db2.gz ZFYYQYQCRFPYOE-SNVBAGLBSA-N 1 2 326.322 2.247 20 30 EEEDLO N#Cc1nc(N[C@@H]2CCC[N@H+](C3COC3)C2)ccc1C(F)(F)F ZINC001168367957 1189285622 /nfs/dbraw/zinc/28/56/22/1189285622.db2.gz ZFYYQYQCRFPYOE-SNVBAGLBSA-N 1 2 326.322 2.247 20 30 EEEDLO C[C@@H](CN(C)C(=O)c1cccc2nn[nH]c21)[NH2+]Cc1ccccc1C#N ZINC001485877185 1193627844 /nfs/dbraw/zinc/62/78/44/1193627844.db2.gz MBKUZZMUESRBKL-ZDUSSCGKSA-N 1 2 348.410 2.080 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cccc(C#N)c2Cl)C1=O ZINC001272680473 1191203460 /nfs/dbraw/zinc/20/34/60/1191203460.db2.gz WTSGVTGRPCEXLS-GOSISDBHSA-N 1 2 327.815 2.412 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cccc(C#N)c2Cl)C1=O ZINC001272680473 1191203462 /nfs/dbraw/zinc/20/34/62/1191203462.db2.gz WTSGVTGRPCEXLS-GOSISDBHSA-N 1 2 327.815 2.412 20 30 EEEDLO CCc1ncoc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033403546 1194546802 /nfs/dbraw/zinc/54/68/02/1194546802.db2.gz QENYXMLSFQIRMN-MRXNPFEDSA-N 1 2 338.411 2.455 20 30 EEEDLO CCc1ncoc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033403546 1194546809 /nfs/dbraw/zinc/54/68/09/1194546809.db2.gz QENYXMLSFQIRMN-MRXNPFEDSA-N 1 2 338.411 2.455 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC001033471189 1194611505 /nfs/dbraw/zinc/61/15/05/1194611505.db2.gz CTGRERKJZKJMDP-GDBMZVCRSA-N 1 2 338.810 2.414 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC001033471189 1194611506 /nfs/dbraw/zinc/61/15/06/1194611506.db2.gz CTGRERKJZKJMDP-GDBMZVCRSA-N 1 2 338.810 2.414 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001033500406 1194634072 /nfs/dbraw/zinc/63/40/72/1194634072.db2.gz JUZRLZYENXRBHH-SECBINFHSA-N 1 2 336.745 2.327 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001033500406 1194634073 /nfs/dbraw/zinc/63/40/73/1194634073.db2.gz JUZRLZYENXRBHH-SECBINFHSA-N 1 2 336.745 2.327 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(=O)c2ccccc12 ZINC001018027547 1224229999 /nfs/dbraw/zinc/22/99/99/1224229999.db2.gz WMSWFRYVEYXZNN-GASCZTMLSA-N 1 2 335.407 2.253 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(=O)c2ccccc12 ZINC001018027547 1224230009 /nfs/dbraw/zinc/23/00/09/1224230009.db2.gz WMSWFRYVEYXZNN-GASCZTMLSA-N 1 2 335.407 2.253 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2cccc(OC)c21 ZINC001018040241 1224247348 /nfs/dbraw/zinc/24/73/48/1224247348.db2.gz CMKJEFNMMNUFNO-FGTMMUONSA-N 1 2 338.451 2.424 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2cccc(OC)c21 ZINC001018040241 1224247355 /nfs/dbraw/zinc/24/73/55/1224247355.db2.gz CMKJEFNMMNUFNO-FGTMMUONSA-N 1 2 338.451 2.424 20 30 EEEDLO CCN(C(=O)c1nccc(C)n1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033811946 1195300079 /nfs/dbraw/zinc/30/00/79/1195300079.db2.gz GSFSZIDEEAHIKB-SFHVURJKSA-N 1 2 349.438 2.393 20 30 EEEDLO CCN(C(=O)c1nccc(C)n1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033811946 1195300083 /nfs/dbraw/zinc/30/00/83/1195300083.db2.gz GSFSZIDEEAHIKB-SFHVURJKSA-N 1 2 349.438 2.393 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc[nH]c2)C1 ZINC001033841174 1195361979 /nfs/dbraw/zinc/36/19/79/1195361979.db2.gz UFNNCWJPFAIZHS-CYBMUJFWSA-N 1 2 326.238 2.460 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc[nH]c2)C1 ZINC001033841174 1195361984 /nfs/dbraw/zinc/36/19/84/1195361984.db2.gz UFNNCWJPFAIZHS-CYBMUJFWSA-N 1 2 326.238 2.460 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2cc3ccccc3o2)C1 ZINC001108110793 1195664896 /nfs/dbraw/zinc/66/48/96/1195664896.db2.gz UOFHIOUZTMOUQW-FQEVSTJZSA-N 1 2 340.423 2.206 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2cc3ccccc3o2)C1 ZINC001108110793 1195664899 /nfs/dbraw/zinc/66/48/99/1195664899.db2.gz UOFHIOUZTMOUQW-FQEVSTJZSA-N 1 2 340.423 2.206 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001034046291 1195697990 /nfs/dbraw/zinc/69/79/90/1195697990.db2.gz ROYBDIBWIZXBKR-ZFWWWQNUSA-N 1 2 336.867 2.190 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001034046291 1195697992 /nfs/dbraw/zinc/69/79/92/1195697992.db2.gz ROYBDIBWIZXBKR-ZFWWWQNUSA-N 1 2 336.867 2.190 20 30 EEEDLO O=C(N[C@@H]1CCCC[N@H+](CC#Cc2ccccc2)C1)c1cnns1 ZINC001034121547 1195806091 /nfs/dbraw/zinc/80/60/91/1195806091.db2.gz RCSUCUBIHJGSQZ-MRXNPFEDSA-N 1 2 340.452 2.174 20 30 EEEDLO O=C(N[C@@H]1CCCC[N@@H+](CC#Cc2ccccc2)C1)c1cnns1 ZINC001034121547 1195806094 /nfs/dbraw/zinc/80/60/94/1195806094.db2.gz RCSUCUBIHJGSQZ-MRXNPFEDSA-N 1 2 340.452 2.174 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H](NC(=O)c3ccon3)C2)c1 ZINC001034122252 1195807327 /nfs/dbraw/zinc/80/73/27/1195807327.db2.gz VGMFWYOHVRWNGE-HNNXBMFYSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H](NC(=O)c3ccon3)C2)c1 ZINC001034122252 1195807330 /nfs/dbraw/zinc/80/73/30/1195807330.db2.gz VGMFWYOHVRWNGE-HNNXBMFYSA-N 1 2 342.374 2.470 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2nocc2C)C1 ZINC001034438032 1196233866 /nfs/dbraw/zinc/23/38/66/1196233866.db2.gz FHJJFRGMWOQPPT-BQFCYCMXSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2nocc2C)C1 ZINC001034438032 1196233870 /nfs/dbraw/zinc/23/38/70/1196233870.db2.gz FHJJFRGMWOQPPT-BQFCYCMXSA-N 1 2 347.459 2.435 20 30 EEEDLO CC#CCCCC(=O)NC[C@@]1(C)C[N@H+](Cc2cccnc2C)CCO1 ZINC001108144807 1196587461 /nfs/dbraw/zinc/58/74/61/1196587461.db2.gz ZZFWFQCRBXGBKE-FQEVSTJZSA-N 1 2 343.471 2.291 20 30 EEEDLO CC#CCCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2cccnc2C)CCO1 ZINC001108144807 1196587462 /nfs/dbraw/zinc/58/74/62/1196587462.db2.gz ZZFWFQCRBXGBKE-FQEVSTJZSA-N 1 2 343.471 2.291 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001067220168 1224377182 /nfs/dbraw/zinc/37/71/82/1224377182.db2.gz QFPXQJISBZQGSH-HIFRSBDPSA-N 1 2 325.416 2.345 20 30 EEEDLO C=CCOc1ccccc1C[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000865458102 1198228633 /nfs/dbraw/zinc/22/86/33/1198228633.db2.gz CCDYEZSUBVYOJU-QGZVFWFLSA-N 1 2 328.416 2.312 20 30 EEEDLO C=CCc1cccc(C[NH+]2CC3(C2)CN([C@@H](C)CC)C(=O)CO3)c1O ZINC001273359961 1198312623 /nfs/dbraw/zinc/31/26/23/1198312623.db2.gz CPQGEIRKHOROQM-HNNXBMFYSA-N 1 2 344.455 2.332 20 30 EEEDLO C=CCN1CC[C@@H](N(C)c2cc(NCc3ccccc3)[nH+]cn2)C1=O ZINC000865754542 1198361808 /nfs/dbraw/zinc/36/18/08/1198361808.db2.gz VZZAQTPPJMVMSS-MRXNPFEDSA-N 1 2 337.427 2.312 20 30 EEEDLO C=CCN1CC[C@@H](N(C)c2cc(NCc3ccccc3)nc[nH+]2)C1=O ZINC000865754542 1198361817 /nfs/dbraw/zinc/36/18/17/1198361817.db2.gz VZZAQTPPJMVMSS-MRXNPFEDSA-N 1 2 337.427 2.312 20 30 EEEDLO COCC[N@H+](CCNC(=O)c1ccoc1C)Cc1ccccc1C#N ZINC001411219380 1198929058 /nfs/dbraw/zinc/92/90/58/1198929058.db2.gz VJBBWYNASTWKJJ-UHFFFAOYSA-N 1 2 341.411 2.338 20 30 EEEDLO COCC[N@@H+](CCNC(=O)c1ccoc1C)Cc1ccccc1C#N ZINC001411219380 1198929061 /nfs/dbraw/zinc/92/90/61/1198929061.db2.gz VJBBWYNASTWKJJ-UHFFFAOYSA-N 1 2 341.411 2.338 20 30 EEEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2scnc2C2CC2)CC[C@H]1C ZINC001132340177 1199601454 /nfs/dbraw/zinc/60/14/54/1199601454.db2.gz NZENOABZXVVTTL-HIFRSBDPSA-N 1 2 347.484 2.253 20 30 EEEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2scnc2C2CC2)CC[C@H]1C ZINC001132340177 1199601458 /nfs/dbraw/zinc/60/14/58/1199601458.db2.gz NZENOABZXVVTTL-HIFRSBDPSA-N 1 2 347.484 2.253 20 30 EEEDLO Nc1ncc2c(n1)CCCC2=[NH+]Nc1cncc(Br)c1 ZINC000814887027 1199781407 /nfs/dbraw/zinc/78/14/07/1199781407.db2.gz MZWPPBWKIFHTKK-UHFFFAOYSA-N 1 2 333.193 2.369 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ncc(F)cc3F)C2)s1 ZINC001014951276 1224572704 /nfs/dbraw/zinc/57/27/04/1224572704.db2.gz NYILTDIFCBJJEK-LLVKDONJSA-N 1 2 348.378 2.297 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ncc(F)cc3F)C2)s1 ZINC001014951276 1224572708 /nfs/dbraw/zinc/57/27/08/1224572708.db2.gz NYILTDIFCBJJEK-LLVKDONJSA-N 1 2 348.378 2.297 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2c(C)cccc2F)CC[C@@H]1C ZINC001132541624 1199837258 /nfs/dbraw/zinc/83/72/58/1199837258.db2.gz IGXDYOVVZNOUOW-LSDHHAIUSA-N 1 2 347.434 2.019 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2c(C)cccc2F)CC[C@@H]1C ZINC001132541624 1199837263 /nfs/dbraw/zinc/83/72/63/1199837263.db2.gz IGXDYOVVZNOUOW-LSDHHAIUSA-N 1 2 347.434 2.019 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3cc4c(cn3)OCCO4)CC2)cc1 ZINC000877745234 1200069033 /nfs/dbraw/zinc/06/90/33/1200069033.db2.gz LQNPYRXKAWBUKI-UHFFFAOYSA-N 1 2 336.395 2.047 20 30 EEEDLO C[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)CC1(CC#N)CC1 ZINC000877946783 1200176118 /nfs/dbraw/zinc/17/61/18/1200176118.db2.gz CNCLYEBFVNOWLN-UHFFFAOYSA-N 1 2 342.443 2.087 20 30 EEEDLO C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)CC1(CC#N)CC1 ZINC000877946783 1200176123 /nfs/dbraw/zinc/17/61/23/1200176123.db2.gz CNCLYEBFVNOWLN-UHFFFAOYSA-N 1 2 342.443 2.087 20 30 EEEDLO COc1cccc([C@H]2CN(C(=O)C#Cc3cccs3)CC[NH2+]2)c1 ZINC000870152973 1200515084 /nfs/dbraw/zinc/51/50/84/1200515084.db2.gz FGKXWUSOOLMKII-QGZVFWFLSA-N 1 2 326.421 2.281 20 30 EEEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@@H](c2n[nH]c(C)n2)C1)c1ccccc1 ZINC000878710634 1200632875 /nfs/dbraw/zinc/63/28/75/1200632875.db2.gz FZRJRVFMHTVFBJ-APWZRJJASA-N 1 2 337.427 2.343 20 30 EEEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@@H](c2n[nH]c(C)n2)C1)c1ccccc1 ZINC000878710634 1200632881 /nfs/dbraw/zinc/63/28/81/1200632881.db2.gz FZRJRVFMHTVFBJ-APWZRJJASA-N 1 2 337.427 2.343 20 30 EEEDLO C=CCCC1(C(=O)NCC[NH2+]Cc2nc(-c3ccoc3)no2)CC1 ZINC001133376025 1200835570 /nfs/dbraw/zinc/83/55/70/1200835570.db2.gz SDVGGMQUPTUZQH-UHFFFAOYSA-N 1 2 330.388 2.282 20 30 EEEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000879138025 1200884346 /nfs/dbraw/zinc/88/43/46/1200884346.db2.gz ZSFFQLMIBDDNPB-LSDHHAIUSA-N 1 2 346.431 2.210 20 30 EEEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000879138025 1200884356 /nfs/dbraw/zinc/88/43/56/1200884356.db2.gz ZSFFQLMIBDDNPB-LSDHHAIUSA-N 1 2 346.431 2.210 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001018402099 1224679883 /nfs/dbraw/zinc/67/98/83/1224679883.db2.gz ZABZTUSZOMMKKL-GOEBONIOSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001018402099 1224679887 /nfs/dbraw/zinc/67/98/87/1224679887.db2.gz ZABZTUSZOMMKKL-GOEBONIOSA-N 1 2 344.459 2.194 20 30 EEEDLO CC(C)[C@H](C(=O)Nc1cccc(CC#N)n1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000882477036 1201877609 /nfs/dbraw/zinc/87/76/09/1201877609.db2.gz LTRHMGGHYDJEQS-CKEIUWERSA-N 1 2 330.432 2.220 20 30 EEEDLO C[C@@H]1C[N@H+](CCOC(=O)CCCCOc2cccc(C#N)c2)CCO1 ZINC000800165856 1202215641 /nfs/dbraw/zinc/21/56/41/1202215641.db2.gz SEKVHLQVJHVFGN-MRXNPFEDSA-N 1 2 346.427 2.371 20 30 EEEDLO C[C@@H]1C[N@@H+](CCOC(=O)CCCCOc2cccc(C#N)c2)CCO1 ZINC000800165856 1202215643 /nfs/dbraw/zinc/21/56/43/1202215643.db2.gz SEKVHLQVJHVFGN-MRXNPFEDSA-N 1 2 346.427 2.371 20 30 EEEDLO N#CCCCN1CC2(C[NH+](Cc3cccc4ccoc43)C2)OCC1=O ZINC001274625866 1205104459 /nfs/dbraw/zinc/10/44/59/1205104459.db2.gz KNPSHNGRYVIKJF-UHFFFAOYSA-N 1 2 339.395 2.150 20 30 EEEDLO CCCn1cnc(C[N@@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)c1 ZINC001274728969 1205144939 /nfs/dbraw/zinc/14/49/39/1205144939.db2.gz LDXDTHMYCIECMV-SFHVURJKSA-N 1 2 329.448 2.164 20 30 EEEDLO CCCn1cnc(C[N@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)c1 ZINC001274728969 1205144940 /nfs/dbraw/zinc/14/49/40/1205144940.db2.gz LDXDTHMYCIECMV-SFHVURJKSA-N 1 2 329.448 2.164 20 30 EEEDLO C#CCN1CCC2(CC[NH+](Cc3ccc(F)c(O)c3F)CC2)C1=O ZINC001274793712 1205170376 /nfs/dbraw/zinc/17/03/76/1205170376.db2.gz IHKFXUSXXGZCRU-UHFFFAOYSA-N 1 2 334.366 2.118 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)nc1C ZINC001015198462 1224894991 /nfs/dbraw/zinc/89/49/91/1224894991.db2.gz PFXCYKWILYSOGV-LJQANCHMSA-N 1 2 348.450 2.258 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)nc1C ZINC001015198462 1224894995 /nfs/dbraw/zinc/89/49/95/1224894995.db2.gz PFXCYKWILYSOGV-LJQANCHMSA-N 1 2 348.450 2.258 20 30 EEEDLO CC[C@@H](C(=O)NCc1cc(C#N)ccc1F)[N@H+]1CCO[C@@H](CC)C1 ZINC000927683093 1206290635 /nfs/dbraw/zinc/29/06/35/1206290635.db2.gz PQCPRICSOIJCFB-RDJZCZTQSA-N 1 2 333.407 2.203 20 30 EEEDLO CC[C@@H](C(=O)NCc1cc(C#N)ccc1F)[N@@H+]1CCO[C@@H](CC)C1 ZINC000927683093 1206290634 /nfs/dbraw/zinc/29/06/34/1206290634.db2.gz PQCPRICSOIJCFB-RDJZCZTQSA-N 1 2 333.407 2.203 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ncccn1 ZINC001110928752 1206296204 /nfs/dbraw/zinc/29/62/04/1206296204.db2.gz CZSYOKVNORMCHG-VQHPVUNQSA-N 1 2 326.444 2.453 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ncccn1 ZINC001110928752 1206296206 /nfs/dbraw/zinc/29/62/06/1206296206.db2.gz CZSYOKVNORMCHG-VQHPVUNQSA-N 1 2 326.444 2.453 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(C)cn1 ZINC001110929149 1206297314 /nfs/dbraw/zinc/29/73/14/1206297314.db2.gz UTDKDRKJFQAELO-KURKYZTESA-N 1 2 326.444 2.200 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(C)cn1 ZINC001110929149 1206297315 /nfs/dbraw/zinc/29/73/15/1206297315.db2.gz UTDKDRKJFQAELO-KURKYZTESA-N 1 2 326.444 2.200 20 30 EEEDLO Cc1ccc(C#N)cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000929474794 1206479053 /nfs/dbraw/zinc/47/90/53/1206479053.db2.gz 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/nfs/dbraw/zinc/11/44/07/1220114407.db2.gz AFWZEMZUCHMKKN-XHDPSFHLSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c(c2)nnn3C)C1 ZINC000966911376 1220114410 /nfs/dbraw/zinc/11/44/10/1220114410.db2.gz AFWZEMZUCHMKKN-XHDPSFHLSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cc(OC)no3)CC[C@H]2C)C1 ZINC000968272052 1221167861 /nfs/dbraw/zinc/16/78/61/1221167861.db2.gz DPTYTBFUKYJTCE-UKRRQHHQSA-N 1 2 333.432 2.366 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3cc(OC)no3)CC[C@H]2C)C1 ZINC000968272052 1221167865 /nfs/dbraw/zinc/16/78/65/1221167865.db2.gz DPTYTBFUKYJTCE-UKRRQHHQSA-N 1 2 333.432 2.366 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2c3c(nn2C)CCC3)C1 ZINC000968539056 1221387450 /nfs/dbraw/zinc/38/74/50/1221387450.db2.gz LJPRTTPGRCDNEU-IAQYHMDHSA-N 1 2 336.867 2.102 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2c3c(nn2C)CCC3)C1 ZINC000968539056 1221387455 /nfs/dbraw/zinc/38/74/55/1221387455.db2.gz LJPRTTPGRCDNEU-IAQYHMDHSA-N 1 2 336.867 2.102 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccns3)CC[C@H]2C)nc1 ZINC000968548406 1221393736 /nfs/dbraw/zinc/39/37/36/1221393736.db2.gz GGBWGVINTXHIGL-CXAGYDPISA-N 1 2 340.452 2.160 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccns3)CC[C@H]2C)nc1 ZINC000968548406 1221393740 /nfs/dbraw/zinc/39/37/40/1221393740.db2.gz GGBWGVINTXHIGL-CXAGYDPISA-N 1 2 340.452 2.160 20 30 EEEDLO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CC(=C)Cl)CC[C@H]1C ZINC000968560174 1221403431 /nfs/dbraw/zinc/40/34/31/1221403431.db2.gz ANXAXJFTUVTKAJ-CZUORRHYSA-N 1 2 347.846 2.286 20 30 EEEDLO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](CC(=C)Cl)CC[C@H]1C ZINC000968560174 1221403433 /nfs/dbraw/zinc/40/34/33/1221403433.db2.gz ANXAXJFTUVTKAJ-CZUORRHYSA-N 1 2 347.846 2.286 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000968672349 1221480894 /nfs/dbraw/zinc/48/08/94/1221480894.db2.gz BAZYPLPBDADWDG-SMDDNHRTSA-N 1 2 340.265 2.292 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC000968672349 1221480896 /nfs/dbraw/zinc/48/08/96/1221480896.db2.gz BAZYPLPBDADWDG-SMDDNHRTSA-N 1 2 340.265 2.292 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@H]2CCCCC[N@@H+]2Cc2ccon2)c[nH]1 ZINC000968816278 1221594924 /nfs/dbraw/zinc/59/49/24/1221594924.db2.gz RQCXIHMKWHCTDP-MRXNPFEDSA-N 1 2 327.388 2.049 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@H]2CCCCC[N@H+]2Cc2ccon2)c[nH]1 ZINC000968816278 1221594926 /nfs/dbraw/zinc/59/49/26/1221594926.db2.gz RQCXIHMKWHCTDP-MRXNPFEDSA-N 1 2 327.388 2.049 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2Cc2cn(C)nn2)CC1 ZINC000969013804 1221739440 /nfs/dbraw/zinc/73/94/40/1221739440.db2.gz GTUFFVGOKNVLJZ-GOSISDBHSA-N 1 2 345.491 2.422 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2Cc2cn(C)nn2)CC1 ZINC000969013804 1221739445 /nfs/dbraw/zinc/73/94/45/1221739445.db2.gz GTUFFVGOKNVLJZ-GOSISDBHSA-N 1 2 345.491 2.422 20 30 EEEDLO COc1cccnc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001016093195 1226066878 /nfs/dbraw/zinc/06/68/78/1226066878.db2.gz NQRBXOODNMCWBR-LBPRGKRZSA-N 1 2 342.424 2.028 20 30 EEEDLO COc1cccnc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001016093195 1226066886 /nfs/dbraw/zinc/06/68/86/1226066886.db2.gz NQRBXOODNMCWBR-LBPRGKRZSA-N 1 2 342.424 2.028 20 30 EEEDLO Cn1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001007093165 1222090742 /nfs/dbraw/zinc/09/07/42/1222090742.db2.gz QPWXRGDFTIZVAX-QGZVFWFLSA-N 1 2 340.402 2.430 20 30 EEEDLO Cn1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001007093165 1222090747 /nfs/dbraw/zinc/09/07/47/1222090747.db2.gz QPWXRGDFTIZVAX-QGZVFWFLSA-N 1 2 340.402 2.430 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CCCCO3)C2)c1 ZINC001007119627 1222100957 /nfs/dbraw/zinc/10/09/57/1222100957.db2.gz GSHZCRKTTIPTBV-AEFFLSMTSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CCCCO3)C2)c1 ZINC001007119627 1222100960 /nfs/dbraw/zinc/10/09/60/1222100960.db2.gz GSHZCRKTTIPTBV-AEFFLSMTSA-N 1 2 345.418 2.347 20 30 EEEDLO Cc1nnccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001007815054 1222435415 /nfs/dbraw/zinc/43/54/15/1222435415.db2.gz RHNXZCUOQORIAU-KRWDZBQOSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1nnccc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001007815054 1222435416 /nfs/dbraw/zinc/43/54/16/1222435416.db2.gz RHNXZCUOQORIAU-KRWDZBQOSA-N 1 2 335.411 2.051 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3cc(F)c[nH]3)C2)s1 ZINC001007978346 1222543588 /nfs/dbraw/zinc/54/35/88/1222543588.db2.gz MAABKYCXOLKLBC-GFCCVEGCSA-N 1 2 332.404 2.481 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc(F)c[nH]3)C2)s1 ZINC001007978346 1222543591 /nfs/dbraw/zinc/54/35/91/1222543591.db2.gz MAABKYCXOLKLBC-GFCCVEGCSA-N 1 2 332.404 2.481 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001008116500 1222630575 /nfs/dbraw/zinc/63/05/75/1222630575.db2.gz PMAJLFSKXSXENO-HIFRSBDPSA-N 1 2 347.846 2.446 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001008116500 1222630577 /nfs/dbraw/zinc/63/05/77/1222630577.db2.gz PMAJLFSKXSXENO-HIFRSBDPSA-N 1 2 347.846 2.446 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001008329127 1222764517 /nfs/dbraw/zinc/76/45/17/1222764517.db2.gz GVPBCKNYRCQMNC-ZIAGYGMSSA-N 1 2 349.853 2.297 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001008329127 1222764518 /nfs/dbraw/zinc/76/45/18/1222764518.db2.gz GVPBCKNYRCQMNC-ZIAGYGMSSA-N 1 2 349.853 2.297 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCC[C@H](C)C3)C2)C1 ZINC001008464311 1222859407 /nfs/dbraw/zinc/85/94/07/1222859407.db2.gz MMWQHSYUAQSRMS-DOTOQJQBSA-N 1 2 347.503 2.182 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCC[C@H](C)C3)C2)C1 ZINC001008464311 1222859410 /nfs/dbraw/zinc/85/94/10/1222859410.db2.gz MMWQHSYUAQSRMS-DOTOQJQBSA-N 1 2 347.503 2.182 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ncc(C)s2)C1 ZINC001008579350 1222940701 /nfs/dbraw/zinc/94/07/01/1222940701.db2.gz BAYFOBOHIDHDIN-ZNMIVQPWSA-N 1 2 335.473 2.123 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ncc(C)s2)C1 ZINC001008579350 1222940704 /nfs/dbraw/zinc/94/07/04/1222940704.db2.gz BAYFOBOHIDHDIN-ZNMIVQPWSA-N 1 2 335.473 2.123 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)O1 ZINC001008594142 1222950258 /nfs/dbraw/zinc/95/02/58/1222950258.db2.gz AXJOZAQELLYSNF-BHIYHBOVSA-N 1 2 326.440 2.186 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)O1 ZINC001008594142 1222950260 /nfs/dbraw/zinc/95/02/60/1222950260.db2.gz AXJOZAQELLYSNF-BHIYHBOVSA-N 1 2 326.440 2.186 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)nc(C)n1 ZINC001008861579 1223060078 /nfs/dbraw/zinc/06/00/78/1223060078.db2.gz KVVDPPDNPHUHGR-GOSISDBHSA-N 1 2 349.438 2.360 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)nc(C)n1 ZINC001008861579 1223060081 /nfs/dbraw/zinc/06/00/81/1223060081.db2.gz KVVDPPDNPHUHGR-GOSISDBHSA-N 1 2 349.438 2.360 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1CCCO1 ZINC001010057822 1223528828 /nfs/dbraw/zinc/52/88/28/1223528828.db2.gz HTTNWOMPPHVYMY-IRXDYDNUSA-N 1 2 332.831 2.061 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1CCCO1 ZINC001010057822 1223528831 /nfs/dbraw/zinc/52/88/31/1223528831.db2.gz HTTNWOMPPHVYMY-IRXDYDNUSA-N 1 2 332.831 2.061 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)Cc3cccnc3)C2)c1 ZINC001010619940 1223815996 /nfs/dbraw/zinc/81/59/96/1223815996.db2.gz KNVZNJADYSGTCQ-QGZVFWFLSA-N 1 2 338.386 2.026 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)Cc3cccnc3)C2)c1 ZINC001010619940 1223815999 /nfs/dbraw/zinc/81/59/99/1223815999.db2.gz KNVZNJADYSGTCQ-QGZVFWFLSA-N 1 2 338.386 2.026 20 30 EEEDLO Cc1nscc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010688358 1223851742 /nfs/dbraw/zinc/85/17/42/1223851742.db2.gz GLSDKXMDHWUEKG-INIZCTEOSA-N 1 2 343.427 2.446 20 30 EEEDLO Cc1nscc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010688358 1223851745 /nfs/dbraw/zinc/85/17/45/1223851745.db2.gz GLSDKXMDHWUEKG-INIZCTEOSA-N 1 2 343.427 2.446 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001010840221 1223933201 /nfs/dbraw/zinc/93/32/01/1223933201.db2.gz PSSUHCMTTNVZFV-SFHVURJKSA-N 1 2 344.459 2.006 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001011145851 1224061839 /nfs/dbraw/zinc/06/18/39/1224061839.db2.gz GYDYDVQIEWFHOF-HNNXBMFYSA-N 1 2 332.448 2.107 20 30 EEEDLO Cc1c[nH]cc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001016243394 1226244933 /nfs/dbraw/zinc/24/49/33/1226244933.db2.gz LVAPXZDFUCUJJU-QGZVFWFLSA-N 1 2 325.387 2.318 20 30 EEEDLO Cc1c[nH]cc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001016243394 1226244937 /nfs/dbraw/zinc/24/49/37/1226244937.db2.gz LVAPXZDFUCUJJU-QGZVFWFLSA-N 1 2 325.387 2.318 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2C(=O)Nc3ccccc32)C1 ZINC001016390575 1226428123 /nfs/dbraw/zinc/42/81/23/1226428123.db2.gz AGNQUFHHMDAJQR-OCCSQVGLSA-N 1 2 333.819 2.055 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2C(=O)Nc3ccccc32)C1 ZINC001016390575 1226428125 /nfs/dbraw/zinc/42/81/25/1226428125.db2.gz AGNQUFHHMDAJQR-OCCSQVGLSA-N 1 2 333.819 2.055 20 30 EEEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)NCc2ccccc2C)cc1 ZINC000113249135 1226728125 /nfs/dbraw/zinc/72/81/25/1226728125.db2.gz LVEMVJMNCKNJNI-AWEZNQCLSA-N 1 2 341.411 2.345 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1c(F)cncc1F ZINC001014578411 1226800189 /nfs/dbraw/zinc/80/01/89/1226800189.db2.gz GVJLVNZAAHWWTF-HNNXBMFYSA-N 1 2 341.361 2.216 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1c(F)cncc1F ZINC001014578411 1226800193 /nfs/dbraw/zinc/80/01/93/1226800193.db2.gz GVJLVNZAAHWWTF-HNNXBMFYSA-N 1 2 341.361 2.216 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2CCCCC2)C1=O ZINC001017310795 1227322800 /nfs/dbraw/zinc/32/28/00/1227322800.db2.gz CVRHXADKAGYSOO-KSZLIROESA-N 1 2 345.487 2.029 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2CCCCC2)C1=O ZINC001017310795 1227322806 /nfs/dbraw/zinc/32/28/06/1227322806.db2.gz CVRHXADKAGYSOO-KSZLIROESA-N 1 2 345.487 2.029 20 30 EEEDLO C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC001017746363 1227696156 /nfs/dbraw/zinc/69/61/56/1227696156.db2.gz CLQOFYZVIKKSJU-OIPACUDHSA-N 1 2 328.460 2.327 20 30 EEEDLO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC001017746363 1227696160 /nfs/dbraw/zinc/69/61/60/1227696160.db2.gz CLQOFYZVIKKSJU-OIPACUDHSA-N 1 2 328.460 2.327 20 30 EEEDLO C#Cc1cnc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)nc1 ZINC000827866394 1248853439 /nfs/dbraw/zinc/85/34/39/1248853439.db2.gz LDYLWNIHRHCHMH-UHFFFAOYSA-N 1 2 329.407 2.460 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCc2cccnc21 ZINC001038638775 1228390732 /nfs/dbraw/zinc/39/07/32/1228390732.db2.gz QKDQEOMYVIAPRU-PMACEKPBSA-N 1 2 345.446 2.354 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCc2cccnc21 ZINC001038638775 1228390740 /nfs/dbraw/zinc/39/07/40/1228390740.db2.gz QKDQEOMYVIAPRU-PMACEKPBSA-N 1 2 345.446 2.354 20 30 EEEDLO C[C@@H]([NH2+][C@H]1CCN(C(=O)C#CC2CC2)C1)c1nc(C(C)(C)C)no1 ZINC001018819464 1228428744 /nfs/dbraw/zinc/42/87/44/1228428744.db2.gz WIYBAOSLVZABIF-OCCSQVGLSA-N 1 2 330.432 2.032 20 30 EEEDLO N#Cc1ccc(F)c(C[NH2+][C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)c1 ZINC001018878812 1228481199 /nfs/dbraw/zinc/48/11/99/1228481199.db2.gz UTALWWBJHDSMKI-WCQYABFASA-N 1 2 347.287 2.288 20 30 EEEDLO N#Cc1ccc(F)c(C[NH2+][C@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)c1 ZINC001018878812 1228481203 /nfs/dbraw/zinc/48/12/03/1228481203.db2.gz UTALWWBJHDSMKI-WCQYABFASA-N 1 2 347.287 2.288 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038267674 1229713285 /nfs/dbraw/zinc/71/32/85/1229713285.db2.gz YFLWOCCIBHSCHD-ZCNNSNEGSA-N 1 2 338.451 2.210 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038267674 1229713289 /nfs/dbraw/zinc/71/32/89/1229713289.db2.gz YFLWOCCIBHSCHD-ZCNNSNEGSA-N 1 2 338.451 2.210 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038267763 1229713733 /nfs/dbraw/zinc/71/37/33/1229713733.db2.gz ZPBVLDYWVOXXTF-XKQJLSEDSA-N 1 2 345.468 2.291 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038267763 1229713736 /nfs/dbraw/zinc/71/37/36/1229713736.db2.gz ZPBVLDYWVOXXTF-XKQJLSEDSA-N 1 2 345.468 2.291 20 30 EEEDLO CC(C)c1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)[nH]n1 ZINC001038717244 1229994245 /nfs/dbraw/zinc/99/42/45/1229994245.db2.gz NAGCWLOAYVJAMY-INIZCTEOSA-N 1 2 337.427 2.409 20 30 EEEDLO CC(C)c1cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)[nH]n1 ZINC001038717244 1229994246 /nfs/dbraw/zinc/99/42/46/1229994246.db2.gz NAGCWLOAYVJAMY-INIZCTEOSA-N 1 2 337.427 2.409 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc(C3CC3)no2)cc1 ZINC001038771013 1230039879 /nfs/dbraw/zinc/03/98/79/1230039879.db2.gz UQYIBVIKWVFUGE-MRXNPFEDSA-N 1 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ZINC001039348702 1230544629 /nfs/dbraw/zinc/54/46/29/1230544629.db2.gz ABSZUAPWYPIHQL-DFBGVHRSSA-N 1 2 332.473 2.485 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C#N)c(C)s1 ZINC001039348702 1230544627 /nfs/dbraw/zinc/54/46/27/1230544627.db2.gz ABSZUAPWYPIHQL-DFBGVHRSSA-N 1 2 332.473 2.485 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cncc2nc[nH]c21 ZINC001039377730 1230563359 /nfs/dbraw/zinc/56/33/59/1230563359.db2.gz NMOCQUIEEHCUKU-OLZOCXBDSA-N 1 2 345.834 2.389 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cncc2nc[nH]c21 ZINC001039377730 1230563362 /nfs/dbraw/zinc/56/33/62/1230563362.db2.gz NMOCQUIEEHCUKU-OLZOCXBDSA-N 1 2 345.834 2.389 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)CCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001067299768 1230667184 /nfs/dbraw/zinc/66/71/84/1230667184.db2.gz JQIJCLADIXYWKI-UHFFFAOYSA-N 1 2 334.464 2.252 20 30 EEEDLO Cc1nc(N[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C)ccc1C#N ZINC001040271255 1231144107 /nfs/dbraw/zinc/14/41/07/1231144107.db2.gz HOIQGVOPQXUOLK-BBRMVZONSA-N 1 2 338.415 2.019 20 30 EEEDLO Cc1nc(N[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C)ccc1C#N ZINC001040271255 1231144109 /nfs/dbraw/zinc/14/41/09/1231144109.db2.gz HOIQGVOPQXUOLK-BBRMVZONSA-N 1 2 338.415 2.019 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cn(C)nn1)C2 ZINC001040367784 1231189075 /nfs/dbraw/zinc/18/90/75/1231189075.db2.gz BKRBRKFMKPWDJH-MOPGFXCFSA-N 1 2 345.491 2.232 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cn(C)nn1)C2 ZINC001040367784 1231189077 /nfs/dbraw/zinc/18/90/77/1231189077.db2.gz BKRBRKFMKPWDJH-MOPGFXCFSA-N 1 2 345.491 2.232 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H](CNc3cc[nH+]c(C)n3)[C@H](C)C2)cn1 ZINC001040424568 1231223751 /nfs/dbraw/zinc/22/37/51/1231223751.db2.gz PQROOSDDUIEYCC-GDBMZVCRSA-N 1 2 349.438 2.372 20 30 EEEDLO Cc1nc(N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)cc[nH+]1 ZINC001067320885 1231311102 /nfs/dbraw/zinc/31/11/02/1231311102.db2.gz DYEISQKNHXVNMZ-HNNXBMFYSA-N 1 2 338.415 2.020 20 30 EEEDLO Cc1nc(N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2c[nH]c(C#N)c2)C3)cc[nH+]1 ZINC001054810983 1249125996 /nfs/dbraw/zinc/12/59/96/1249125996.db2.gz AHRDLFWDVZTTJX-BJJXKVORSA-N 1 2 336.399 2.090 20 30 EEEDLO CC(C)c1nsc(C[N@@H+]2CC[C@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC001041136430 1231449444 /nfs/dbraw/zinc/44/94/44/1231449444.db2.gz KPWXEWFMUWSVGC-GUYCJALGSA-N 1 2 347.488 2.246 20 30 EEEDLO CC(C)c1nsc(C[N@H+]2CC[C@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC001041136430 1231449445 /nfs/dbraw/zinc/44/94/45/1231449445.db2.gz KPWXEWFMUWSVGC-GUYCJALGSA-N 1 2 347.488 2.246 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@@H+]([C@H](C)c3nnc(C)[nH]3)C2)C1 ZINC001041542836 1231588803 /nfs/dbraw/zinc/58/88/03/1231588803.db2.gz GJUROBJZYAXWOI-ACJLOTCBSA-N 1 2 331.464 2.311 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@H+]([C@H](C)c3nnc(C)[nH]3)C2)C1 ZINC001041542836 1231588804 /nfs/dbraw/zinc/58/88/04/1231588804.db2.gz GJUROBJZYAXWOI-ACJLOTCBSA-N 1 2 331.464 2.311 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4nc(C)no4)[C@@H]3C2)C1 ZINC001042224961 1231967503 /nfs/dbraw/zinc/96/75/03/1231967503.db2.gz TYHGCGQLLZSXHT-LSDHHAIUSA-N 1 2 330.432 2.157 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@H+](Cc4nc(C)no4)[C@@H]3C2)C1 ZINC001042224961 1231967506 /nfs/dbraw/zinc/96/75/06/1231967506.db2.gz TYHGCGQLLZSXHT-LSDHHAIUSA-N 1 2 330.432 2.157 20 30 EEEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+]([C@H]2CCc3ccc(F)cc32)C1 ZINC001042590226 1232114239 /nfs/dbraw/zinc/11/42/39/1232114239.db2.gz YLWYERPOJAIAOZ-SFHVURJKSA-N 1 2 338.386 2.469 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001067407205 1232151678 /nfs/dbraw/zinc/15/16/78/1232151678.db2.gz CQUUAGFCOGFIHN-BEFAXECRSA-N 1 2 348.450 2.340 20 30 EEEDLO CN(C(=O)c1cccc2[nH+]ccn21)C1CN(Cc2ccccc2C#N)C1 ZINC001043328428 1232384259 /nfs/dbraw/zinc/38/42/59/1232384259.db2.gz NGRQNIJYJPLGQZ-UHFFFAOYSA-N 1 2 345.406 2.162 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCCCN(CC)c1[nH+]cnc2c1cnn2C ZINC001095956357 1232563365 /nfs/dbraw/zinc/56/33/65/1232563365.db2.gz ACBBOLBGQKVJGG-GOSISDBHSA-N 1 2 344.463 2.298 20 30 EEEDLO CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CN(Cc2cccc(C#N)c2)C1 ZINC001043839870 1232599340 /nfs/dbraw/zinc/59/93/40/1232599340.db2.gz SVJXZKSYNZGJQR-KRWDZBQOSA-N 1 2 349.438 2.044 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](Cc3ccc(OC)c(C)c3)C2)cn1 ZINC001044205642 1232787809 /nfs/dbraw/zinc/78/78/09/1232787809.db2.gz ZULNFTZAAAGWPP-UHFFFAOYSA-N 1 2 349.434 2.336 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2n[nH]cc2F)C3)s1 ZINC001095977707 1232926708 /nfs/dbraw/zinc/92/67/08/1232926708.db2.gz QPUSDFIQYDMCTK-IIMNLJJBSA-N 1 2 345.403 2.017 20 30 EEEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2n[nH]cc2F)C3)s1 ZINC001095977707 1232926711 /nfs/dbraw/zinc/92/67/11/1232926711.db2.gz QPUSDFIQYDMCTK-IIMNLJJBSA-N 1 2 345.403 2.017 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccns2)c1 ZINC001095988096 1233070757 /nfs/dbraw/zinc/07/07/57/1233070757.db2.gz UKBHUDWOSVXXCP-PVAVHDDUSA-N 1 2 338.436 2.055 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccns2)c1 ZINC001095988096 1233070761 /nfs/dbraw/zinc/07/07/61/1233070761.db2.gz UKBHUDWOSVXXCP-PVAVHDDUSA-N 1 2 338.436 2.055 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnc(CC)o1 ZINC001045052138 1233468694 /nfs/dbraw/zinc/46/86/94/1233468694.db2.gz PHTDXTJOCNBETC-LBPRGKRZSA-N 1 2 340.855 2.491 20 30 EEEDLO C#Cc1ccc(C(=O)NC2(C)CC[NH+]([C@@H](C)c3ncccn3)CC2)nc1 ZINC001045625573 1233867222 /nfs/dbraw/zinc/86/72/22/1233867222.db2.gz UDEJWUAJOMJQLD-HNNXBMFYSA-N 1 2 349.438 2.198 20 30 EEEDLO N#CCN1CC[C@]2(C1)CCCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001045953410 1234221397 /nfs/dbraw/zinc/22/13/97/1234221397.db2.gz YRNYDXQPUPXUTH-IBGZPJMESA-N 1 2 337.427 2.176 20 30 EEEDLO Cc1nc(N2CCC(N(C)C(=O)CSCC#N)CC2)c(C)c(C)[nH+]1 ZINC001096095280 1234739613 /nfs/dbraw/zinc/73/96/13/1234739613.db2.gz PMYMHPKSZOJYMN-UHFFFAOYSA-N 1 2 347.488 2.086 20 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C=C(C)COc1ccccc1C[N@H+]1CC[C@H](C(N)=O)n2nccc2C1 ZINC001277476909 1303576372 /nfs/dbraw/zinc/57/63/72/1303576372.db2.gz ATCDQCWFCRFBRL-QGZVFWFLSA-N 1 2 340.427 2.270 20 30 EEEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1CCOc1ccccc1Cl ZINC001231293769 1303722130 /nfs/dbraw/zinc/72/21/30/1303722130.db2.gz RCRQFUUMPVBIFV-ZIAGYGMSSA-N 1 2 335.835 2.411 20 30 EEEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1CCOc1ccccc1Cl ZINC001231293769 1303722133 /nfs/dbraw/zinc/72/21/33/1303722133.db2.gz RCRQFUUMPVBIFV-ZIAGYGMSSA-N 1 2 335.835 2.411 20 30 EEEDLO CCOC[C@H]1C[N@H+](Cc2cc(C#N)ccc2O)Cc2c1cnn2C ZINC001232675204 1304210260 /nfs/dbraw/zinc/21/02/60/1304210260.db2.gz NLRXQHNUODPMPN-OAHLLOKOSA-N 1 2 326.400 2.133 20 30 EEEDLO CCOC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2O)Cc2c1cnn2C ZINC001232675204 1304210268 /nfs/dbraw/zinc/21/02/68/1304210268.db2.gz NLRXQHNUODPMPN-OAHLLOKOSA-N 1 2 326.400 2.133 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C#N)ccc3O)C[C@H]21 ZINC001232676125 1304211836 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347.484 2.469 20 30 EEEDLO COCC1(CC(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001234235441 1304814661 /nfs/dbraw/zinc/81/46/61/1304814661.db2.gz NVPVAGHHBPIAEW-AWEZNQCLSA-N 1 2 347.484 2.469 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H](Nc1ncccc1C#N)C(C)C ZINC001115328993 1304949989 /nfs/dbraw/zinc/94/99/89/1304949989.db2.gz VHSGKKVUNQFXHC-OAHLLOKOSA-N 1 2 340.431 2.170 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C)ncn1)OCC ZINC001234643770 1304998266 /nfs/dbraw/zinc/99/82/66/1304998266.db2.gz QLJPWHODDYAXPP-ZWKOTPCHSA-N 1 2 346.475 2.189 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C)ncn1)OCC ZINC001234643770 1304998268 /nfs/dbraw/zinc/99/82/68/1304998268.db2.gz QLJPWHODDYAXPP-ZWKOTPCHSA-N 1 2 346.475 2.189 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@](C)(OC)c1ccccc1F ZINC001235125610 1305123043 /nfs/dbraw/zinc/12/30/43/1305123043.db2.gz WTEBFRYTCXQKBE-HNAYVOBHSA-N 1 2 332.419 2.243 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@](C)(OC)c1ccccc1F ZINC001235125610 1305123051 /nfs/dbraw/zinc/12/30/51/1305123051.db2.gz WTEBFRYTCXQKBE-HNAYVOBHSA-N 1 2 332.419 2.243 20 30 EEEDLO COCCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1 ZINC001235160993 1305133295 /nfs/dbraw/zinc/13/32/95/1305133295.db2.gz SPFNWDSBGYUVTH-IBGZPJMESA-N 1 2 340.467 2.388 20 30 EEEDLO COCCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2CC#Cc2ccccc2)CC1 ZINC001235160993 1305133297 /nfs/dbraw/zinc/13/32/97/1305133297.db2.gz SPFNWDSBGYUVTH-IBGZPJMESA-N 1 2 340.467 2.388 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2[C@H](C)c2cnccn2)CCC1 ZINC001235209468 1305150348 /nfs/dbraw/zinc/15/03/48/1305150348.db2.gz LRLOAYOMEDSZOP-HZPDHXFCSA-N 1 2 326.444 2.264 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@H](C)c2cnccn2)CCC1 ZINC001235209468 1305150351 /nfs/dbraw/zinc/15/03/51/1305150351.db2.gz LRLOAYOMEDSZOP-HZPDHXFCSA-N 1 2 326.444 2.264 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(Cc2ccccc2)CC1 ZINC001235438514 1305230086 /nfs/dbraw/zinc/23/00/86/1305230086.db2.gz 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C=CCn1c(Cc2[nH+]ccn2C)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001121620710 1310074493 /nfs/dbraw/zinc/07/44/93/1310074493.db2.gz RMKCSMAYOZSCMA-CHWSQXEVSA-N 1 2 332.477 2.119 20 30 EEEDLO C#CCN(CC)c1nnc([C@@H]2CCCC[N@@H+]2C)n1CCCOCC ZINC001122575778 1310338330 /nfs/dbraw/zinc/33/83/30/1310338330.db2.gz NQIRQJUMLVZTRC-INIZCTEOSA-N 1 2 333.480 2.321 20 30 EEEDLO C#CCN(CC)c1nnc([C@@H]2CCCC[N@H+]2C)n1CCCOCC ZINC001122575778 1310338340 /nfs/dbraw/zinc/33/83/40/1310338340.db2.gz NQIRQJUMLVZTRC-INIZCTEOSA-N 1 2 333.480 2.321 20 30 EEEDLO Cc1cc(N[C@@H]2C[C@@H](C)N(C(=O)CSCC#N)C2)nc(C2CC2)[nH+]1 ZINC001123155851 1310475073 /nfs/dbraw/zinc/47/50/73/1310475073.db2.gz BRZIOHVSBQKPTD-TZMCWYRMSA-N 1 2 345.472 2.321 20 30 EEEDLO Cc1nc(N[C@@H]2CCC[C@H]3CN(C(=O)C#CC(C)C)C[C@H]32)cc[nH+]1 ZINC001123477367 1310581845 /nfs/dbraw/zinc/58/18/45/1310581845.db2.gz BXKYUAZVTRULRK-GVDBMIGSSA-N 1 2 326.444 2.483 20 30 EEEDLO C#CC[NH+](CC#C)Cc1cccn2c(I)cnc12 ZINC001248426955 1310900918 /nfs/dbraw/zinc/90/09/18/1310900918.db2.gz MNNHDTYZOSSAHU-UHFFFAOYSA-N 1 2 349.175 2.007 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)C[C@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001124729074 1310942763 /nfs/dbraw/zinc/94/27/63/1310942763.db2.gz WMBAPHNYSQQXOA-DNVCBOLYSA-N 1 2 346.475 2.496 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccnc3F)CC2)cc1 ZINC000832115644 1314647051 /nfs/dbraw/zinc/64/70/51/1314647051.db2.gz UTSGJZFUJKPQSL-UHFFFAOYSA-N 1 2 339.374 2.442 20 30 EEEDLO C=CCn1cc(C[N@@H+]2Cc3nn(CC4CC4)cc3[C@H](COC)C2)cn1 ZINC001139769792 1314768236 /nfs/dbraw/zinc/76/82/36/1314768236.db2.gz QUSXCXMQPFEIDS-KRWDZBQOSA-N 1 2 341.459 2.421 20 30 EEEDLO C=CCn1cc(C[N@H+]2Cc3nn(CC4CC4)cc3[C@H](COC)C2)cn1 ZINC001139769792 1314768240 /nfs/dbraw/zinc/76/82/40/1314768240.db2.gz QUSXCXMQPFEIDS-KRWDZBQOSA-N 1 2 341.459 2.421 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)cc(C#N)c2)C[C@H]1O ZINC001139875173 1314782746 /nfs/dbraw/zinc/78/27/46/1314782746.db2.gz JHQLXKDXBLOXLG-HZPDHXFCSA-N 1 2 349.406 2.157 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)cc(C#N)c2)C[C@H]1O ZINC001139875173 1314782748 /nfs/dbraw/zinc/78/27/48/1314782748.db2.gz JHQLXKDXBLOXLG-HZPDHXFCSA-N 1 2 349.406 2.157 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCC(NC(=O)C(F)(F)F)CC2)c(F)c1 ZINC001140139146 1314817554 /nfs/dbraw/zinc/81/75/54/1314817554.db2.gz ITEKJKZWCMYRMX-UHFFFAOYSA-N 1 2 329.297 2.340 20 30 EEEDLO C#CCOCCC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000834647680 1314857995 /nfs/dbraw/zinc/85/79/95/1314857995.db2.gz KXANZYMNPIYVKO-UHFFFAOYSA-N 1 2 337.423 2.244 20 30 EEEDLO Cc1cccc(CCCOCCOC(=O)c2ccc(C#N)n2C)[nH+]1 ZINC000835158390 1314901649 /nfs/dbraw/zinc/90/16/49/1314901649.db2.gz KNFPKVGTKLORNL-UHFFFAOYSA-N 1 2 327.384 2.406 20 30 EEEDLO COC(=O)CC[C@@H]1COCC[N@@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142931983 1315802324 /nfs/dbraw/zinc/80/23/24/1315802324.db2.gz VHHZWWOYOJIYRO-OAHLLOKOSA-N 1 2 327.384 2.194 20 30 EEEDLO COC(=O)CC[C@@H]1COCC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142931983 1315802326 /nfs/dbraw/zinc/80/23/26/1315802326.db2.gz VHHZWWOYOJIYRO-OAHLLOKOSA-N 1 2 327.384 2.194 20 30 EEEDLO CCc1ccc(N2CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)cc1 ZINC000843395824 1315906642 /nfs/dbraw/zinc/90/66/42/1315906642.db2.gz QFBYCYRQCVBAPJ-UHFFFAOYSA-N 1 2 346.438 2.486 20 30 EEEDLO N#Cc1ccc(F)c(C[NH2+]CCNC(=O)c2n[nH]c3ccccc32)c1 ZINC001149687936 1316015384 /nfs/dbraw/zinc/01/53/84/1316015384.db2.gz YUUNPHCROAHVLG-UHFFFAOYSA-N 1 2 337.358 2.093 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001149967338 1316109477 /nfs/dbraw/zinc/10/94/77/1316109477.db2.gz XBQQYJYMYPVVJM-GJZGRUSLSA-N 1 2 344.883 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001149967338 1316109483 /nfs/dbraw/zinc/10/94/83/1316109483.db2.gz XBQQYJYMYPVVJM-GJZGRUSLSA-N 1 2 344.883 2.151 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2cncc(F)c2)CCCO1 ZINC001150085966 1316151645 /nfs/dbraw/zinc/15/16/45/1316151645.db2.gz WGRCJJQXFFVNEP-MRXNPFEDSA-N 1 2 335.423 2.140 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2cncc(F)c2)CCCO1 ZINC001150085966 1316151647 /nfs/dbraw/zinc/15/16/47/1316151647.db2.gz WGRCJJQXFFVNEP-MRXNPFEDSA-N 1 2 335.423 2.140 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CCCn2cccc2)C1 ZINC001150760704 1316366368 /nfs/dbraw/zinc/36/63/68/1316366368.db2.gz BEGRRIXPQRGANY-MRXNPFEDSA-N 1 2 339.867 2.228 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CCCn2cccc2)C1 ZINC001150760704 1316366372 /nfs/dbraw/zinc/36/63/72/1316366372.db2.gz BEGRRIXPQRGANY-MRXNPFEDSA-N 1 2 339.867 2.228 20 30 EEEDLO C=C(C)[C@H](CC(=O)NC[C@@H](C)[N@H+](CC)Cc1nccc(C)n1)OCC ZINC001153660496 1316861027 /nfs/dbraw/zinc/86/10/27/1316861027.db2.gz ZFVCLWDHNBUAIU-SJORKVTESA-N 1 2 348.491 2.483 20 30 EEEDLO C=C(C)[C@H](CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccc(C)n1)OCC ZINC001153660496 1316861029 /nfs/dbraw/zinc/86/10/29/1316861029.db2.gz ZFVCLWDHNBUAIU-SJORKVTESA-N 1 2 348.491 2.483 20 30 EEEDLO N#Cc1ccc2[nH]c(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc(=O)c2c1 ZINC001154555243 1317202046 /nfs/dbraw/zinc/20/20/46/1317202046.db2.gz ACPPQKLPJVAIBS-CYBMUJFWSA-N 1 2 347.378 2.143 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[N@H+](CC)Cc2ncc(C)cn2)cc1 ZINC001154573803 1317211166 /nfs/dbraw/zinc/21/11/66/1317211166.db2.gz IFIYPNGJDSJBSA-MRXNPFEDSA-N 1 2 336.439 2.407 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ncc(C)cn2)cc1 ZINC001154573803 1317211173 /nfs/dbraw/zinc/21/11/73/1317211173.db2.gz IFIYPNGJDSJBSA-MRXNPFEDSA-N 1 2 336.439 2.407 20 30 EEEDLO CC[C@H](CC#N)[N@@H+]1C[C@@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001255167802 1318307329 /nfs/dbraw/zinc/30/73/29/1318307329.db2.gz HZLXKKYNXGYWLR-MKXGPGLRSA-N 1 2 328.460 2.437 20 30 EEEDLO CC[C@H](CC#N)[N@H+]1C[C@@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001255167802 1318307342 /nfs/dbraw/zinc/30/73/42/1318307342.db2.gz HZLXKKYNXGYWLR-MKXGPGLRSA-N 1 2 328.460 2.437 20 30 EEEDLO CC[C@H](CC#N)[N@H+]1C[C@H]2c3ccccc3N(S(C)(=O)=O)C[C@@H]2C1 ZINC001255172878 1318311319 /nfs/dbraw/zinc/31/13/19/1318311319.db2.gz SNOPGOQUFIWNJK-SQWLQELKSA-N 1 2 333.457 2.174 20 30 EEEDLO CC[C@H](CC#N)[N@@H+]1C[C@H]2c3ccccc3N(S(C)(=O)=O)C[C@@H]2C1 ZINC001255172878 1318311327 /nfs/dbraw/zinc/31/13/27/1318311327.db2.gz SNOPGOQUFIWNJK-SQWLQELKSA-N 1 2 333.457 2.174 20 30 EEEDLO N#Cc1cccc(C[NH+]2CC3(C2)CCN(C(=O)Nc2cccnc2)C3)n1 ZINC001278949543 1318795059 /nfs/dbraw/zinc/79/50/59/1318795059.db2.gz UIIRHYTUYINNQJ-UHFFFAOYSA-N 1 2 348.410 2.088 20 30 EEEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cn(CC)nn1 ZINC001157857234 1318907733 /nfs/dbraw/zinc/90/77/33/1318907733.db2.gz UDVOBGUSPPFYQO-GOSISDBHSA-N 1 2 345.491 2.305 20 30 EEEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cn(CC)nn1 ZINC001157857234 1318907734 /nfs/dbraw/zinc/90/77/34/1318907734.db2.gz UDVOBGUSPPFYQO-GOSISDBHSA-N 1 2 345.491 2.305 20 30 EEEDLO C=CCCOCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccn(CC)n1 ZINC001158967051 1319537292 /nfs/dbraw/zinc/53/72/92/1319537292.db2.gz YEZMIVIXYFUATR-GOSISDBHSA-N 1 2 348.491 2.309 20 30 EEEDLO C=CCCOCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccn(CC)n1 ZINC001158967051 1319537294 /nfs/dbraw/zinc/53/72/94/1319537294.db2.gz YEZMIVIXYFUATR-GOSISDBHSA-N 1 2 348.491 2.309 20 30 EEEDLO C=C(C)[C@H](CC(=O)NCCC[NH2+]Cc1noc(C(C)C)n1)OCC ZINC001159143408 1319637923 /nfs/dbraw/zinc/63/79/23/1319637923.db2.gz OZYFCGVZVOBELX-AWEZNQCLSA-N 1 2 338.452 2.160 20 30 EEEDLO C=CCOCCCC(=O)NCCC1=CC[N@H+](Cc2ncccn2)CC1 ZINC001159685047 1319947630 /nfs/dbraw/zinc/94/76/30/1319947630.db2.gz BPFAJOXPQZXRGU-UHFFFAOYSA-N 1 2 344.459 2.098 20 30 EEEDLO C=CCOCCCC(=O)NCCC1=CC[N@@H+](Cc2ncccn2)CC1 ZINC001159685047 1319947634 /nfs/dbraw/zinc/94/76/34/1319947634.db2.gz BPFAJOXPQZXRGU-UHFFFAOYSA-N 1 2 344.459 2.098 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@H+](Cc2cnn(C)n2)CC1 ZINC001161116483 1320390890 /nfs/dbraw/zinc/39/08/90/1320390890.db2.gz KBHNFYWDQJGWNV-GOSISDBHSA-N 1 2 331.464 2.056 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@@H+](Cc2cnn(C)n2)CC1 ZINC001161116483 1320390894 /nfs/dbraw/zinc/39/08/94/1320390894.db2.gz KBHNFYWDQJGWNV-GOSISDBHSA-N 1 2 331.464 2.056 20 30 EEEDLO C=C1CC(C)(C(=O)NCCC2=CC[N@H+](Cc3ncccn3)CC2)C1 ZINC001161178609 1320411656 /nfs/dbraw/zinc/41/16/56/1320411656.db2.gz WZZFRQLAOIXZRU-UHFFFAOYSA-N 1 2 326.444 2.471 20 30 EEEDLO C=C1CC(C)(C(=O)NCCC2=CC[N@@H+](Cc3ncccn3)CC2)C1 ZINC001161178609 1320411660 /nfs/dbraw/zinc/41/16/60/1320411660.db2.gz WZZFRQLAOIXZRU-UHFFFAOYSA-N 1 2 326.444 2.471 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC1=CC[N@H+](Cc2cscn2)CC1 ZINC001161264991 1320438787 /nfs/dbraw/zinc/43/87/87/1320438787.db2.gz PZQKKCLKFIITNK-SJORKVTESA-N 1 2 347.484 2.373 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC1=CC[N@@H+](Cc2cscn2)CC1 ZINC001161264991 1320438790 /nfs/dbraw/zinc/43/87/90/1320438790.db2.gz PZQKKCLKFIITNK-SJORKVTESA-N 1 2 347.484 2.373 20 30 EEEDLO CC#CC[NH+]1CCN(Cc2ccc(CNC(=O)C=C(C)C)cc2)CC1 ZINC001163017946 1321015704 /nfs/dbraw/zinc/01/57/04/1321015704.db2.gz DVHWDOWDYJJWIC-UHFFFAOYSA-N 1 2 339.483 2.410 20 30 EEEDLO N#C[C@H]1C[C@@H](F)CN1c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001165192477 1321468747 /nfs/dbraw/zinc/46/87/47/1321468747.db2.gz YXECTIPNWPIUNB-HZPDHXFCSA-N 1 2 337.402 2.475 20 30 EEEDLO N#C[C@H]1C[C@@H](F)CN1c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001165192477 1321468751 /nfs/dbraw/zinc/46/87/51/1321468751.db2.gz YXECTIPNWPIUNB-HZPDHXFCSA-N 1 2 337.402 2.475 20 30 EEEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@@H]1CCSC1 ZINC001263287969 1322453042 /nfs/dbraw/zinc/45/30/42/1322453042.db2.gz ACUYYLKVWVFENG-CYBMUJFWSA-N 1 2 332.477 2.120 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCCCCC1 ZINC001263316134 1322459546 /nfs/dbraw/zinc/45/95/46/1322459546.db2.gz NMSFRFCJUIJKPM-UHFFFAOYSA-N 1 2 347.507 2.439 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206647035 1323552691 /nfs/dbraw/zinc/55/26/91/1323552691.db2.gz PPXCAYCBBWMZQJ-JJRVBVJISA-N 1 2 329.831 2.288 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206647035 1323552699 /nfs/dbraw/zinc/55/26/99/1323552699.db2.gz PPXCAYCBBWMZQJ-JJRVBVJISA-N 1 2 329.831 2.288 20 30 EEEDLO C=CCN(CC[N@H+]1CCC[C@H]1C(=O)OCC)C(=O)OC(C)(C)C ZINC001207203409 1323903174 /nfs/dbraw/zinc/90/31/74/1323903174.db2.gz BKBYPSWTWWTHGA-AWEZNQCLSA-N 1 2 326.437 2.437 20 30 EEEDLO C=CCN(CC[N@@H+]1CCC[C@H]1C(=O)OCC)C(=O)OC(C)(C)C ZINC001207203409 1323903177 /nfs/dbraw/zinc/90/31/77/1323903177.db2.gz BKBYPSWTWWTHGA-AWEZNQCLSA-N 1 2 326.437 2.437 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2cscn2)C[C@H]1C)OCC ZINC001207263262 1323918667 /nfs/dbraw/zinc/91/86/67/1323918667.db2.gz QIDNKPRRZOEDBC-FVQBIDKESA-N 1 2 337.489 2.451 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2cscn2)C[C@H]1C)OCC ZINC001207263262 1323918670 /nfs/dbraw/zinc/91/86/70/1323918670.db2.gz QIDNKPRRZOEDBC-FVQBIDKESA-N 1 2 337.489 2.451 20 30 EEEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@H+]3Cc2ccc3c(c2)COC3)cc1C#N ZINC001279645795 1323968688 /nfs/dbraw/zinc/96/86/88/1323968688.db2.gz SFOXDGXXBRMZEQ-OYRHEFFESA-N 1 2 348.450 2.386 20 30 EEEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+]3Cc2ccc3c(c2)COC3)cc1C#N ZINC001279645795 1323968689 /nfs/dbraw/zinc/96/86/89/1323968689.db2.gz SFOXDGXXBRMZEQ-OYRHEFFESA-N 1 2 348.450 2.386 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccsc1Cl ZINC001316601326 1324090296 /nfs/dbraw/zinc/09/02/96/1324090296.db2.gz FSCCWPSQRNDNRV-LBPRGKRZSA-N 1 2 326.849 2.198 20 30 EEEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccsc1Cl ZINC001316601326 1324090301 /nfs/dbraw/zinc/09/03/01/1324090301.db2.gz FSCCWPSQRNDNRV-LBPRGKRZSA-N 1 2 326.849 2.198 20 30 EEEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@H+]3CCC(=O)c2ccccc2)cc1C#N ZINC001280176487 1324105506 /nfs/dbraw/zinc/10/55/06/1324105506.db2.gz LNGADMDWJVTHIF-BGYRXZFFSA-N 1 2 348.450 2.428 20 30 EEEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+]3CCC(=O)c2ccccc2)cc1C#N ZINC001280176487 1324105512 /nfs/dbraw/zinc/10/55/12/1324105512.db2.gz LNGADMDWJVTHIF-BGYRXZFFSA-N 1 2 348.450 2.428 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)cn2)C[C@H]1C ZINC001208315286 1324417549 /nfs/dbraw/zinc/41/75/49/1324417549.db2.gz SKQIBSAANNOOLG-IAGOWNOFSA-N 1 2 328.460 2.305 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ncc(C)cn2)C[C@H]1C ZINC001208315286 1324417551 /nfs/dbraw/zinc/41/75/51/1324417551.db2.gz SKQIBSAANNOOLG-IAGOWNOFSA-N 1 2 328.460 2.305 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](OC)C(C)C)C1 ZINC001208500664 1324529156 /nfs/dbraw/zinc/52/91/56/1324529156.db2.gz VPVWRSAASJYIEJ-RTXFEEFZSA-N 1 2 333.270 2.003 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](OC)C(C)C)C1 ZINC001208500664 1324529158 /nfs/dbraw/zinc/52/91/58/1324529158.db2.gz VPVWRSAASJYIEJ-RTXFEEFZSA-N 1 2 333.270 2.003 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2cnccc2c1 ZINC001316607893 1324685994 /nfs/dbraw/zinc/68/59/94/1324685994.db2.gz PQFKADVSJCROSS-IBGZPJMESA-N 1 2 337.423 2.031 20 30 EEEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2cnccc2c1 ZINC001316607893 1324686000 /nfs/dbraw/zinc/68/60/00/1324686000.db2.gz PQFKADVSJCROSS-IBGZPJMESA-N 1 2 337.423 2.031 20 30 EEEDLO C=CC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(=O)OCC ZINC001320130126 1332833745 /nfs/dbraw/zinc/83/37/45/1332833745.db2.gz IIFMPWVPYQVXJY-INIZCTEOSA-N 1 2 327.384 2.169 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC(C)(C)C[C@H]1C ZINC001338835238 1336916751 /nfs/dbraw/zinc/91/67/51/1336916751.db2.gz XERIGPSZVCELDI-OAHLLOKOSA-N 1 2 347.507 2.293 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCCCC1 ZINC001338842607 1336918089 /nfs/dbraw/zinc/91/80/89/1336918089.db2.gz WBSNZAHJCCKWJE-HZPDHXFCSA-N 1 2 331.464 2.380 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCCCC1 ZINC001338842607 1336918090 /nfs/dbraw/zinc/91/80/90/1336918090.db2.gz WBSNZAHJCCKWJE-HZPDHXFCSA-N 1 2 331.464 2.380 20 30 EEEDLO C=CCN(c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1CC=C)C1CC1 ZINC001338852480 1336920310 /nfs/dbraw/zinc/92/03/10/1336920310.db2.gz XDJQAKMURJICJQ-MRXNPFEDSA-N 1 2 331.464 2.401 20 30 EEEDLO C=CCN(c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1CC=C)C1CC1 ZINC001338852480 1336920313 /nfs/dbraw/zinc/92/03/13/1336920313.db2.gz XDJQAKMURJICJQ-MRXNPFEDSA-N 1 2 331.464 2.401 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)Cc1ccco1 ZINC001340204949 1337137436 /nfs/dbraw/zinc/13/74/36/1337137436.db2.gz JAZKHZCNRIPWNQ-INIZCTEOSA-N 1 2 345.447 2.475 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)Cc1ccco1 ZINC001340204949 1337137437 /nfs/dbraw/zinc/13/74/37/1337137437.db2.gz JAZKHZCNRIPWNQ-INIZCTEOSA-N 1 2 345.447 2.475 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC(C)(C)C(F)(F)F)[C@H](O)C1 ZINC001100090452 1338004001 /nfs/dbraw/zinc/00/40/01/1338004001.db2.gz UQWFUTHDENOGDI-WDEREUQCSA-N 1 2 342.789 2.269 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C(F)(F)F)[C@H](O)C1 ZINC001100090452 1338004006 /nfs/dbraw/zinc/00/40/06/1338004006.db2.gz UQWFUTHDENOGDI-WDEREUQCSA-N 1 2 342.789 2.269 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC001556160061 1342423773 /nfs/dbraw/zinc/42/37/73/1342423773.db2.gz ORVAXKNAQMQKRT-LLVKDONJSA-N 1 2 338.346 2.423 20 30 EEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC001556160061 1342423775 /nfs/dbraw/zinc/42/37/75/1342423775.db2.gz ORVAXKNAQMQKRT-LLVKDONJSA-N 1 2 338.346 2.423 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2c[nH]nn2)CCCC1 ZINC001575085605 1343731514 /nfs/dbraw/zinc/73/15/14/1343731514.db2.gz OGZIZPXQPCVIIK-HZPDHXFCSA-N 1 2 331.464 2.458 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cn[nH]n2)CCCC1 ZINC001575085605 1343731519 /nfs/dbraw/zinc/73/15/19/1343731519.db2.gz OGZIZPXQPCVIIK-HZPDHXFCSA-N 1 2 331.464 2.458 20 30 EEEDLO N#Cc1cc(CNC(=O)c2c[nH+]ccc2Nc2ccccc2)ccn1 ZINC001626740290 1352471745 /nfs/dbraw/zinc/47/17/45/1352471745.db2.gz GLMNDBDMGXYELH-UHFFFAOYSA-N 1 2 329.363 2.444 20 30 EEEDLO Cc1nccc([C@H]2CCC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000603834345 1367406757 /nfs/dbraw/zinc/40/67/57/1367406757.db2.gz RCBCVTZBNKWNLL-INIZCTEOSA-N 1 2 341.459 2.307 20 30 EEEDLO Cc1nccc([C@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000603834345 1367406767 /nfs/dbraw/zinc/40/67/67/1367406767.db2.gz RCBCVTZBNKWNLL-INIZCTEOSA-N 1 2 341.459 2.307 20 30 EEEDLO N#CCOc1cccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000113630105 1367427462 /nfs/dbraw/zinc/42/74/62/1367427462.db2.gz FGUZTDPNTBRTDE-UHFFFAOYSA-N 1 2 339.399 2.332 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(C#N)ccc2Cl)C1=O ZINC001272621773 1367526094 /nfs/dbraw/zinc/52/60/94/1367526094.db2.gz TXMOYDOUOOQQEW-SFHVURJKSA-N 1 2 327.815 2.412 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C#N)ccc2Cl)C1=O ZINC001272621773 1367526098 /nfs/dbraw/zinc/52/60/98/1367526098.db2.gz TXMOYDOUOOQQEW-SFHVURJKSA-N 1 2 327.815 2.412 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110394478 1368251758 /nfs/dbraw/zinc/25/17/58/1368251758.db2.gz CAOSIPPWFIFOHC-WQFMGJDKSA-N 1 2 326.375 2.079 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110394478 1368251763 /nfs/dbraw/zinc/25/17/63/1368251763.db2.gz CAOSIPPWFIFOHC-WQFMGJDKSA-N 1 2 326.375 2.079 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2nc3ccccc3o2)C[C@H]1O ZINC001195306798 1368517099 /nfs/dbraw/zinc/51/70/99/1368517099.db2.gz HJZXVIPXMRVFHH-BPLDGKMQSA-N 1 2 343.427 2.262 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc3ccccc3o2)C[C@H]1O ZINC001195306798 1368517102 /nfs/dbraw/zinc/51/71/02/1368517102.db2.gz HJZXVIPXMRVFHH-BPLDGKMQSA-N 1 2 343.427 2.262 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C(F)=C2CCCC2)CC1 ZINC001195474587 1368539190 /nfs/dbraw/zinc/53/91/90/1368539190.db2.gz YQSKZYGMQLJFBL-CQSZACIVSA-N 1 2 337.439 2.009 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C(F)=C2CCCC2)CC1 ZINC001195474587 1368539197 /nfs/dbraw/zinc/53/91/97/1368539197.db2.gz YQSKZYGMQLJFBL-CQSZACIVSA-N 1 2 337.439 2.009 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C(F)=C2CCCC2)CC1 ZINC001195474569 1368539214 /nfs/dbraw/zinc/53/92/14/1368539214.db2.gz YQSKZYGMQLJFBL-AWEZNQCLSA-N 1 2 337.439 2.009 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C(F)=C2CCCC2)CC1 ZINC001195474569 1368539218 /nfs/dbraw/zinc/53/92/18/1368539218.db2.gz YQSKZYGMQLJFBL-AWEZNQCLSA-N 1 2 337.439 2.009 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)c4ccc(F)s4)C3)C2)cc1C#N ZINC001273936612 1368911522 /nfs/dbraw/zinc/91/15/22/1368911522.db2.gz PHPFXKGCTIEFMK-UHFFFAOYSA-N 1 2 344.415 2.055 20 30 EEEDLO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(C[N@@H+]1CCC[C@@H](CC#N)C1)C2=O ZINC000853524847 1369345474 /nfs/dbraw/zinc/34/54/74/1369345474.db2.gz QYDVGQFROVQQKR-KFWWJZLASA-N 1 2 332.448 2.316 20 30 EEEDLO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(C[N@H+]1CCC[C@@H](CC#N)C1)C2=O ZINC000853524847 1369345483 /nfs/dbraw/zinc/34/54/83/1369345483.db2.gz QYDVGQFROVQQKR-KFWWJZLASA-N 1 2 332.448 2.316 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C)cn3)C[C@H]21 ZINC001114325580 1369554800 /nfs/dbraw/zinc/55/48/00/1369554800.db2.gz BPOBHWRKGUMXHZ-VQFNDLOPSA-N 1 2 326.444 2.100 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C)cn3)C[C@H]21 ZINC001114325580 1369554804 /nfs/dbraw/zinc/55/48/04/1369554804.db2.gz BPOBHWRKGUMXHZ-VQFNDLOPSA-N 1 2 326.444 2.100 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)C(F)F)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001071288529 1370457934 /nfs/dbraw/zinc/45/79/34/1370457934.db2.gz NOVMPTUDVYSMRN-MFKMUULPSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)C(F)F)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001071288529 1370457937 /nfs/dbraw/zinc/45/79/37/1370457937.db2.gz NOVMPTUDVYSMRN-MFKMUULPSA-N 1 2 325.334 2.432 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)CCCC(C)=O)C2)cc1C#N ZINC001389451110 1388130860 /nfs/dbraw/zinc/13/08/60/1388130860.db2.gz NAXSFAWBROBYPQ-KRWDZBQOSA-N 1 2 343.427 2.017 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H](NC(=O)CCCC(C)=O)C2)cc1C#N ZINC001389451110 1388130864 /nfs/dbraw/zinc/13/08/64/1388130864.db2.gz NAXSFAWBROBYPQ-KRWDZBQOSA-N 1 2 343.427 2.017 20 30 EEEDLO C#C[C@H](NC(=O)N1CC[NH+](CCOc2ccccc2)CC1)C(C)C ZINC000798555590 1371590534 /nfs/dbraw/zinc/59/05/34/1371590534.db2.gz KXAMQDULZCHCOV-SFHVURJKSA-N 1 2 329.444 2.050 20 30 EEEDLO C#CC1CCN(c2nnc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)n2CC)CC1 ZINC001121804130 1371925890 /nfs/dbraw/zinc/92/58/90/1371925890.db2.gz OYZYIHSBLTWBBX-SJORKVTESA-N 1 2 343.475 2.073 20 30 EEEDLO C#CC1CCN(c2nnc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)n2CC)CC1 ZINC001121804130 1371925892 /nfs/dbraw/zinc/92/58/92/1371925892.db2.gz OYZYIHSBLTWBBX-SJORKVTESA-N 1 2 343.475 2.073 20 30 EEEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000831695378 1372388174 /nfs/dbraw/zinc/38/81/74/1372388174.db2.gz PGOMSCZVXXWRER-UHFFFAOYSA-N 1 2 340.379 2.380 20 30 EEEDLO C=C(C)CCC(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001200622770 1373065542 /nfs/dbraw/zinc/06/55/42/1373065542.db2.gz SBDKZSOIIIQATN-ZFWWWQNUSA-N 1 2 336.436 2.002 20 30 EEEDLO N#Cc1cccc(NC(=O)C[NH2+][C@H](CO)c2ccc(F)cc2F)c1 ZINC001414017559 1373232425 /nfs/dbraw/zinc/23/24/25/1373232425.db2.gz IBAQUSVRFFQBFJ-MRXNPFEDSA-N 1 2 331.322 2.098 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)COCC2CC2)cc1 ZINC001370327371 1374888584 /nfs/dbraw/zinc/88/85/84/1374888584.db2.gz SMRFKDOGHLTBCZ-KDURUIRLSA-N 1 2 339.439 2.160 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)COCC2CC2)cc1 ZINC001370327371 1374888587 /nfs/dbraw/zinc/88/85/87/1374888587.db2.gz SMRFKDOGHLTBCZ-KDURUIRLSA-N 1 2 339.439 2.160 20 30 EEEDLO CC(=O)CCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC001372492067 1376037407 /nfs/dbraw/zinc/03/74/07/1376037407.db2.gz OTAXKJHEYQAHCQ-SFHVURJKSA-N 1 2 327.428 2.398 20 30 EEEDLO CC(=O)CCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC001372492067 1376037411 /nfs/dbraw/zinc/03/74/11/1376037411.db2.gz OTAXKJHEYQAHCQ-SFHVURJKSA-N 1 2 327.428 2.398 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)c1cncc(F)c1 ZINC001374485534 1376862899 /nfs/dbraw/zinc/86/28/99/1376862899.db2.gz UQTZMHVBBWZVPV-UHFFFAOYSA-N 1 2 344.365 2.435 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)c1cncc(F)c1 ZINC001374485534 1376862906 /nfs/dbraw/zinc/86/29/06/1376862906.db2.gz UQTZMHVBBWZVPV-UHFFFAOYSA-N 1 2 344.365 2.435 20 30 EEEDLO C=C(Cl)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H](C)C(C)(C)C)n1 ZINC001375601616 1377884141 /nfs/dbraw/zinc/88/41/41/1377884141.db2.gz FNUMGDYDTHLEKI-LLVKDONJSA-N 1 2 340.855 2.323 20 30 EEEDLO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001377128235 1378991768 /nfs/dbraw/zinc/99/17/68/1378991768.db2.gz GUDKTVCEUWDGEC-LSDHHAIUSA-N 1 2 344.459 2.345 20 30 EEEDLO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001377128235 1378991776 /nfs/dbraw/zinc/99/17/76/1378991776.db2.gz GUDKTVCEUWDGEC-LSDHHAIUSA-N 1 2 344.459 2.345 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC[N@H+](C)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC001377127130 1378991973 /nfs/dbraw/zinc/99/19/73/1378991973.db2.gz FFJULULWNPOZGF-AWEZNQCLSA-N 1 2 344.459 2.130 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](C)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC001377127130 1378991976 /nfs/dbraw/zinc/99/19/76/1378991976.db2.gz FFJULULWNPOZGF-AWEZNQCLSA-N 1 2 344.459 2.130 20 30 EEEDLO C[C@H](C#N)C(=O)N(C)CC[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC001377739934 1379486216 /nfs/dbraw/zinc/48/62/16/1379486216.db2.gz QCEWPSQSVIYJIQ-OAHLLOKOSA-N 1 2 348.878 2.076 20 30 EEEDLO C[C@H](C#N)C(=O)N(C)CCN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001377739934 1379486219 /nfs/dbraw/zinc/48/62/19/1379486219.db2.gz QCEWPSQSVIYJIQ-OAHLLOKOSA-N 1 2 348.878 2.076 20 30 EEEDLO Cc1nnc(N(CCC#N)CCC(C)C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001381616483 1381690694 /nfs/dbraw/zinc/69/06/94/1381690694.db2.gz OQSVDHHLOJZRKJ-INIZCTEOSA-N 1 2 348.495 2.073 20 30 EEEDLO CCc1nnc(N2CCC(C)(C#N)CC2)n1Cc1c[nH+]ccc1OC ZINC001390972520 1388928849 /nfs/dbraw/zinc/92/88/49/1388928849.db2.gz ZLVYNKIOXKODTJ-UHFFFAOYSA-N 1 2 340.431 2.422 20 30 EEEDLO CC(C)c1noc([C@@H](C)[NH+]2CCC(C)(NC(=O)[C@H](C)C#N)CC2)n1 ZINC001393056572 1390296497 /nfs/dbraw/zinc/29/64/97/1390296497.db2.gz GDNYKXFRTJMKEF-CHWSQXEVSA-N 1 2 333.436 2.384 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CN(C(C)=O)c2ccccc2)C1 ZINC001394267443 1390665025 /nfs/dbraw/zinc/66/50/25/1390665025.db2.gz HESZQMFPWOJZIE-AWEZNQCLSA-N 1 2 349.862 2.229 20 30 EEEDLO CC#CCCCC(=O)NCC[N@H+](C)CC(=O)Nc1ccc(C)c(C)c1 ZINC001753059941 1406652336 /nfs/dbraw/zinc/65/23/36/1406652336.db2.gz BDGFVGKZEFVVEV-UHFFFAOYSA-N 1 2 343.471 2.484 20 30 EEEDLO CC#CCCCC(=O)NCC[N@@H+](C)CC(=O)Nc1ccc(C)c(C)c1 ZINC001753059941 1406652353 /nfs/dbraw/zinc/65/23/53/1406652353.db2.gz BDGFVGKZEFVVEV-UHFFFAOYSA-N 1 2 343.471 2.484 20 30 EEEDLO Cc1ccncc1CC(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001399503054 1395171279 /nfs/dbraw/zinc/17/12/79/1395171279.db2.gz MDKFUWKDNIHLEY-UHFFFAOYSA-N 1 2 340.402 2.192 20 30 EEEDLO Cc1ccncc1CC(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001399503054 1395171289 /nfs/dbraw/zinc/17/12/89/1395171289.db2.gz MDKFUWKDNIHLEY-UHFFFAOYSA-N 1 2 340.402 2.192 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C2=CCCC2)c1 ZINC001754304783 1406881660 /nfs/dbraw/zinc/88/16/60/1406881660.db2.gz LEWZCBIOYUTMIJ-OAHLLOKOSA-N 1 2 339.439 2.153 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C2=CCCC2)c1 ZINC001754304783 1406881667 /nfs/dbraw/zinc/88/16/67/1406881667.db2.gz LEWZCBIOYUTMIJ-OAHLLOKOSA-N 1 2 339.439 2.153 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1c(C)nn(C)c1C ZINC001401759779 1397553954 /nfs/dbraw/zinc/55/39/54/1397553954.db2.gz PJZLQOCBBFETBM-GFCCVEGCSA-N 1 2 326.872 2.159 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCc1c(C)nn(C)c1C ZINC001401759779 1397553957 /nfs/dbraw/zinc/55/39/57/1397553957.db2.gz PJZLQOCBBFETBM-GFCCVEGCSA-N 1 2 326.872 2.159 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H]1COCC[N@@H+]1C[C@H]1CC(C)(C)CO1 ZINC001754967574 1407013782 /nfs/dbraw/zinc/01/37/82/1407013782.db2.gz KQLGMFRCZYTAPI-JKSUJKDBSA-N 1 2 338.492 2.221 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H]1COCC[N@H+]1C[C@H]1CC(C)(C)CO1 ZINC001754967574 1407013790 /nfs/dbraw/zinc/01/37/90/1407013790.db2.gz KQLGMFRCZYTAPI-JKSUJKDBSA-N 1 2 338.492 2.221 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC001567765790 1403506306 /nfs/dbraw/zinc/50/63/06/1403506306.db2.gz GKERWUFJNUDNNP-MRXNPFEDSA-N 1 2 335.492 2.228 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC001567765790 1403506308 /nfs/dbraw/zinc/50/63/08/1403506308.db2.gz GKERWUFJNUDNNP-MRXNPFEDSA-N 1 2 335.492 2.228 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)C1C[NH+](CC(=O)N[C@H](C)CCC)C1 ZINC001755383418 1407389036 /nfs/dbraw/zinc/38/90/36/1407389036.db2.gz IJIHISYZFIKUSA-HUUCEWRRSA-N 1 2 337.508 2.330 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC001732090284 1405926428 /nfs/dbraw/zinc/92/64/28/1405926428.db2.gz QUCIKOGVDUNDHT-JKSUJKDBSA-N 1 2 337.508 2.330 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC001732090284 1405926431 /nfs/dbraw/zinc/92/64/31/1405926431.db2.gz QUCIKOGVDUNDHT-JKSUJKDBSA-N 1 2 337.508 2.330 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C4CC4)o3)C[C@H]21 ZINC001755432247 1407448139 /nfs/dbraw/zinc/44/81/39/1407448139.db2.gz SCXFBVNBTQQJSM-BKEDOTJMSA-N 1 2 344.459 2.343 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nnc(C4CC4)o3)C[C@H]21 ZINC001755432247 1407448145 /nfs/dbraw/zinc/44/81/45/1407448145.db2.gz SCXFBVNBTQQJSM-BKEDOTJMSA-N 1 2 344.459 2.343 20 30 EEEDLO C#CCCCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1ncc(C)cn1)CC2 ZINC001755699910 1407747253 /nfs/dbraw/zinc/74/72/53/1407747253.db2.gz YYUJFDCSBRVNER-VQIMIIECSA-N 1 2 326.444 2.202 20 30 EEEDLO C#CCCCC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1ncc(C)cn1)CC2 ZINC001755699910 1407747255 /nfs/dbraw/zinc/74/72/55/1407747255.db2.gz YYUJFDCSBRVNER-VQIMIIECSA-N 1 2 326.444 2.202 20 30 EEEDLO C=CCCC(=O)N(C)CC(C)(C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001755987173 1408056166 /nfs/dbraw/zinc/05/61/66/1408056166.db2.gz GYVAHDLGHRVZMQ-OAHLLOKOSA-N 1 2 346.475 2.013 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001756234096 1408242852 /nfs/dbraw/zinc/24/28/52/1408242852.db2.gz PGCGNPRIQGABBW-LSDHHAIUSA-N 1 2 346.475 2.407 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H](C)CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001756463808 1408617218 /nfs/dbraw/zinc/61/72/18/1408617218.db2.gz CJLXJNCDQSFVMP-IRXDYDNUSA-N 1 2 346.475 2.093 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001756945792 1409539825 /nfs/dbraw/zinc/53/98/25/1409539825.db2.gz XYLNLIPODUIHPQ-CABCVRRESA-N 1 2 346.475 2.155 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)C[C@@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001124649877 1410338725 /nfs/dbraw/zinc/33/87/25/1410338725.db2.gz ZAWRHQGYOGKOKO-HOCLYGCPSA-N 1 2 346.475 2.496 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1COCCN1c1cc(C)[nH+]c(CC)n1 ZINC001111711036 1410847616 /nfs/dbraw/zinc/84/76/16/1410847616.db2.gz ZMOKPRXXVXIEBJ-HOCLYGCPSA-N 1 2 346.475 2.271 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)o1)C2 ZINC001111848747 1410852904 /nfs/dbraw/zinc/85/29/04/1410852904.db2.gz RQDUOHKDLUAHGV-YEWWUXTCSA-N 1 2 332.448 2.451 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)o1)C2 ZINC001111848747 1410852910 /nfs/dbraw/zinc/85/29/10/1410852910.db2.gz RQDUOHKDLUAHGV-YEWWUXTCSA-N 1 2 332.448 2.451 20 30 EEEDLO C=CCCC(=O)NCCOCCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001115183681 1410986480 /nfs/dbraw/zinc/98/64/80/1410986480.db2.gz WHSRHGIQIFELOL-UHFFFAOYSA-N 1 2 346.475 2.199 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC(CC)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001069544753 1411057966 /nfs/dbraw/zinc/05/79/66/1411057966.db2.gz VYTDLKKDEGTNGA-JKSUJKDBSA-N 1 2 346.475 2.229 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001091287876 790271805 /nfs/dbraw/zinc/27/18/05/790271805.db2.gz FRLQYUSOIXHKEU-ZIAGYGMSSA-N 1 2 346.479 2.298 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001063192092 790321206 /nfs/dbraw/zinc/32/12/06/790321206.db2.gz DVRMRVLHSJVPNR-LSDHHAIUSA-N 1 2 346.475 2.346 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001063192092 790321216 /nfs/dbraw/zinc/32/12/16/790321216.db2.gz DVRMRVLHSJVPNR-LSDHHAIUSA-N 1 2 346.475 2.346 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001125315052 757352393 /nfs/dbraw/zinc/35/23/93/757352393.db2.gz JFAWKXAVRZJHJE-MRXNPFEDSA-N 1 2 348.491 2.260 20 30 EEEDLO Cc1nc(NC[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)ccc1C#N ZINC001104238439 757410112 /nfs/dbraw/zinc/41/01/12/757410112.db2.gz JCRKUUXPAFYWKL-KGLIPLIRSA-N 1 2 340.431 2.274 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ncc[nH]2)c1 ZINC001024433422 761348974 /nfs/dbraw/zinc/34/89/74/761348974.db2.gz HSFUSUKCYVGLOL-HNNXBMFYSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2CNC(=O)c2ncc[nH]2)c1 ZINC001024433422 761348980 /nfs/dbraw/zinc/34/89/80/761348980.db2.gz HSFUSUKCYVGLOL-HNNXBMFYSA-N 1 2 341.390 2.205 20 30 EEEDLO Cc1c[nH]nc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024435564 761358139 /nfs/dbraw/zinc/35/81/39/761358139.db2.gz XTYVEMUBLAXVIX-QGZVFWFLSA-N 1 2 337.427 2.374 20 30 EEEDLO Cc1c[nH]nc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024435564 761358147 /nfs/dbraw/zinc/35/81/47/761358147.db2.gz XTYVEMUBLAXVIX-QGZVFWFLSA-N 1 2 337.427 2.374 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H](C)N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)n1 ZINC001104623977 764563959 /nfs/dbraw/zinc/56/39/59/764563959.db2.gz HHPFKSZXLZTBPA-ZDUSSCGKSA-N 1 2 340.431 2.221 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncoc1-c1ccon1)C2 ZINC001098228119 764938207 /nfs/dbraw/zinc/93/82/07/764938207.db2.gz QSSCUTFVHVNVGH-RTXFEEFZSA-N 1 2 348.790 2.417 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncoc1-c1ccon1)C2 ZINC001098228119 764938214 /nfs/dbraw/zinc/93/82/14/764938214.db2.gz QSSCUTFVHVNVGH-RTXFEEFZSA-N 1 2 348.790 2.417 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001104786430 765285115 /nfs/dbraw/zinc/28/51/15/765285115.db2.gz JZXLITHSRSPSPO-LIRRHRJNSA-N 1 2 345.491 2.326 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001104786430 765285123 /nfs/dbraw/zinc/28/51/23/765285123.db2.gz JZXLITHSRSPSPO-LIRRHRJNSA-N 1 2 345.491 2.326 20 30 EEEDLO Cc1nc(NC[C@H](C)N(C)C(=O)C[C@H](C)n2cc[nH+]c2)ccc1C#N ZINC001104834579 765391410 /nfs/dbraw/zinc/39/14/10/765391410.db2.gz XMRYDMOQXJWABH-KBPBESRZSA-N 1 2 340.431 2.368 20 30 EEEDLO Cc1cc(C#N)nc(NC[C@H](C)N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)n1 ZINC001104866298 765466915 /nfs/dbraw/zinc/46/69/15/765466915.db2.gz ZUIUPWMBWWHIAE-LBPRGKRZSA-N 1 2 349.398 2.106 20 30 EEEDLO CC(C)C[C@H](CNc1ccc(C#N)cn1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001104941521 765623875 /nfs/dbraw/zinc/62/38/75/765623875.db2.gz CDWSNOYKKBWAMO-OAHLLOKOSA-N 1 2 340.431 2.252 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001063193304 790327387 /nfs/dbraw/zinc/32/73/87/790327387.db2.gz XVXOONDNMCXQQZ-HUUCEWRRSA-N 1 2 346.475 2.346 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001063193304 790327406 /nfs/dbraw/zinc/32/74/06/790327406.db2.gz XVXOONDNMCXQQZ-HUUCEWRRSA-N 1 2 346.475 2.346 20 30 EEEDLO CC#CCCCC(=O)N[C@@H](C)C[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001089455789 769392252 /nfs/dbraw/zinc/39/22/52/769392252.db2.gz RGLLKNVTTZNZGJ-KBPBESRZSA-N 1 2 342.447 2.252 20 30 EEEDLO Cc1noc(C)c1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031540038 769482933 /nfs/dbraw/zinc/48/29/33/769482933.db2.gz BHZOEFUSACCHQT-UHFFFAOYSA-N 1 2 342.374 2.164 20 30 EEEDLO CC(C)[C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)Nc1ncccc1C#N ZINC001105291721 769601743 /nfs/dbraw/zinc/60/17/43/769601743.db2.gz POHQJHVPWBRFDX-CZUORRHYSA-N 1 2 340.431 2.108 20 30 EEEDLO CC(C)[C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)Nc1ncccc1C#N ZINC001105291721 769601749 /nfs/dbraw/zinc/60/17/49/769601749.db2.gz POHQJHVPWBRFDX-CZUORRHYSA-N 1 2 340.431 2.108 20 30 EEEDLO Cc1nsc(N[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C(C)C)c1C#N ZINC001105298806 769626564 /nfs/dbraw/zinc/62/65/64/769626564.db2.gz SEARWWINEBTGOL-CQSZACIVSA-N 1 2 346.460 2.232 20 30 EEEDLO Cc1nsc(N[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C(C)C)c1C#N ZINC001105298806 769626567 /nfs/dbraw/zinc/62/65/67/769626567.db2.gz SEARWWINEBTGOL-CQSZACIVSA-N 1 2 346.460 2.232 20 30 EEEDLO C[C@H](C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)Nc1cccc(F)c1C#N ZINC001089490131 769808407 /nfs/dbraw/zinc/80/84/07/769808407.db2.gz NGSLQNCSXJQUPD-NEPJUHHUSA-N 1 2 329.379 2.358 20 30 EEEDLO C[C@H](C[C@@H](C)Nc1nccnc1C#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089495102 769862383 /nfs/dbraw/zinc/86/23/83/769862383.db2.gz DRONNJCRVMKJEV-VXGBXAGGSA-N 1 2 349.398 2.234 20 30 EEEDLO CC(C)(C)[C@@H](CNc1ncc(C#N)cc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001126108399 770003398 /nfs/dbraw/zinc/00/33/98/770003398.db2.gz BNJZZIKOGVEGNQ-CQSZACIVSA-N 1 2 344.394 2.001 20 30 EEEDLO C#CCCCCCC(=O)NC[C@@H]1CN(c2cc[nH+]c(C)n2)CCCO1 ZINC001089550159 770276406 /nfs/dbraw/zinc/27/64/06/770276406.db2.gz IYGAFXYYHYGALI-QGZVFWFLSA-N 1 2 344.459 2.080 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CN(c2cc[nH+]c(C)n2)CCCO1 ZINC001089555485 770313788 /nfs/dbraw/zinc/31/37/88/770313788.db2.gz UMTUURLAISWZFF-CVEARBPZSA-N 1 2 332.448 2.099 20 30 EEEDLO Cc1ccn(C)c1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031633384 770500656 /nfs/dbraw/zinc/50/06/56/770500656.db2.gz SSPVVYNVSGUIGT-UHFFFAOYSA-N 1 2 340.402 2.206 20 30 EEEDLO C[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031638352 770526159 /nfs/dbraw/zinc/52/61/59/770526159.db2.gz WATTZEDKXDSUKM-GUYCJALGSA-N 1 2 345.418 2.060 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(C)c1 ZINC001027819714 770604120 /nfs/dbraw/zinc/60/41/20/770604120.db2.gz PWMKKWFXWYLOIE-CYBMUJFWSA-N 1 2 326.238 2.128 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(C)c1 ZINC001027819714 770604126 /nfs/dbraw/zinc/60/41/26/770604126.db2.gz PWMKKWFXWYLOIE-CYBMUJFWSA-N 1 2 326.238 2.128 20 30 EEEDLO CCN(c1nc(C)[nH+]c(C)c1C)[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 ZINC001089622327 773559436 /nfs/dbraw/zinc/55/94/36/773559436.db2.gz JDPIQFXTSSMPMD-LLVKDONJSA-N 1 2 340.431 2.246 20 30 EEEDLO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1[nH]nc2c1CCCC2 ZINC001089663313 774068088 /nfs/dbraw/zinc/06/80/88/774068088.db2.gz MMIPOVDLRSZNJZ-CQSZACIVSA-N 1 2 328.460 2.142 20 30 EEEDLO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1[nH]nc2c1CCCC2 ZINC001089663313 774068093 /nfs/dbraw/zinc/06/80/93/774068093.db2.gz MMIPOVDLRSZNJZ-CQSZACIVSA-N 1 2 328.460 2.142 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)on2)C1 ZINC000980271624 774225758 /nfs/dbraw/zinc/22/57/58/774225758.db2.gz WCXJZVAOSQPDDC-LJQANCHMSA-N 1 2 337.423 2.240 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)on2)C1 ZINC000980271624 774225760 /nfs/dbraw/zinc/22/57/60/774225760.db2.gz WCXJZVAOSQPDDC-LJQANCHMSA-N 1 2 337.423 2.240 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ncc(OC)cc1F ZINC001027922856 774432550 /nfs/dbraw/zinc/43/25/50/774432550.db2.gz JHMJOWPSMYOPKS-NSHDSACASA-N 1 2 327.787 2.176 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ncc(OC)cc1F ZINC001027922856 774432551 /nfs/dbraw/zinc/43/25/51/774432551.db2.gz JHMJOWPSMYOPKS-NSHDSACASA-N 1 2 327.787 2.176 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@H+]1Cc1nccn1CC ZINC001027937540 774676797 /nfs/dbraw/zinc/67/67/97/774676797.db2.gz VAYXZDKNGMEORX-MRXNPFEDSA-N 1 2 341.459 2.285 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1nccn1CC ZINC001027937540 774676801 /nfs/dbraw/zinc/67/68/01/774676801.db2.gz VAYXZDKNGMEORX-MRXNPFEDSA-N 1 2 341.459 2.285 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCC3(F)F)C2)c(F)c1 ZINC001031760489 775073680 /nfs/dbraw/zinc/07/36/80/775073680.db2.gz GNYCYFMSHWVOIS-CQSZACIVSA-N 1 2 337.345 2.291 20 30 EEEDLO Cn1cccc1C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000980715218 775298135 /nfs/dbraw/zinc/29/81/35/775298135.db2.gz GSTNEZYFPHSRON-UHFFFAOYSA-N 1 2 339.414 2.364 20 30 EEEDLO Cn1cccc1C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000980715218 775298139 /nfs/dbraw/zinc/29/81/39/775298139.db2.gz GSTNEZYFPHSRON-UHFFFAOYSA-N 1 2 339.414 2.364 20 30 EEEDLO O=C([C@H]1CCOC1)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000980802133 775638331 /nfs/dbraw/zinc/63/83/31/775638331.db2.gz MXNCBGXSWKFTOD-KRWDZBQOSA-N 1 2 346.858 2.262 20 30 EEEDLO O=C([C@H]1CCOC1)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000980802133 775638336 /nfs/dbraw/zinc/63/83/36/775638336.db2.gz MXNCBGXSWKFTOD-KRWDZBQOSA-N 1 2 346.858 2.262 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1n[nH]c2c1CCCC2 ZINC001031808298 776142737 /nfs/dbraw/zinc/14/27/37/776142737.db2.gz AJZRHSYKCSGUOH-UHFFFAOYSA-N 1 2 348.450 2.002 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001028022294 776259070 /nfs/dbraw/zinc/25/90/70/776259070.db2.gz HXFVSDONODBJGF-OWCLPIDISA-N 1 2 326.868 2.382 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001028022294 776259075 /nfs/dbraw/zinc/25/90/75/776259075.db2.gz HXFVSDONODBJGF-OWCLPIDISA-N 1 2 326.868 2.382 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 ZINC001031825487 776709169 /nfs/dbraw/zinc/70/91/69/776709169.db2.gz MJJAXRGFXHCTGS-OAHLLOKOSA-N 1 2 341.238 2.444 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccnc2[nH]c(C)nc21 ZINC001028043416 776743785 /nfs/dbraw/zinc/74/37/85/776743785.db2.gz OCSMADMBMGKGTQ-LBPRGKRZSA-N 1 2 333.823 2.213 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc2[nH]c(C)nc21 ZINC001028043416 776743787 /nfs/dbraw/zinc/74/37/87/776743787.db2.gz OCSMADMBMGKGTQ-LBPRGKRZSA-N 1 2 333.823 2.213 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCCOc2ccccc2[N+](=O)[O-])cc1 ZINC000181585203 777140498 /nfs/dbraw/zinc/14/04/98/777140498.db2.gz ZGOLVPMMPBKXMI-UHFFFAOYSA-N 1 2 331.328 2.319 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCc3ccc(F)cc3O2)C1 ZINC001031846942 777302569 /nfs/dbraw/zinc/30/25/69/777302569.db2.gz FNFAXBPAMICHSH-OAHLLOKOSA-N 1 2 338.810 2.320 20 30 EEEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)nn1 ZINC000846793104 790563698 /nfs/dbraw/zinc/56/36/98/790563698.db2.gz RAHWVXSBISEAAR-AWEZNQCLSA-N 1 2 335.452 2.201 20 30 EEEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)nn1 ZINC000846793104 790563705 /nfs/dbraw/zinc/56/37/05/790563705.db2.gz RAHWVXSBISEAAR-AWEZNQCLSA-N 1 2 335.452 2.201 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccns3)CC2)cc1 ZINC000981730818 778114600 /nfs/dbraw/zinc/11/46/00/778114600.db2.gz SNHFJYRNQKHWLZ-UHFFFAOYSA-N 1 2 325.437 2.473 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccns3)CC2)cc1 ZINC000981730818 778114604 /nfs/dbraw/zinc/11/46/04/778114604.db2.gz SNHFJYRNQKHWLZ-UHFFFAOYSA-N 1 2 325.437 2.473 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001028173228 778682487 /nfs/dbraw/zinc/68/24/87/778682487.db2.gz NOZOUKXNWPAZGC-LBPRGKRZSA-N 1 2 334.807 2.215 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001028173228 778682491 /nfs/dbraw/zinc/68/24/91/778682491.db2.gz NOZOUKXNWPAZGC-LBPRGKRZSA-N 1 2 334.807 2.215 20 30 EEEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3cccc(OCC)n3)C2)cc1 ZINC001031892887 778775547 /nfs/dbraw/zinc/77/55/47/778775547.db2.gz XFWDSAYAHVWRJL-UHFFFAOYSA-N 1 2 349.434 2.323 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)c1ncccc1F ZINC001028226730 779401932 /nfs/dbraw/zinc/40/19/32/779401932.db2.gz STLMYDMYHARKPV-MRXNPFEDSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)c1ncccc1F ZINC001028226730 779401936 /nfs/dbraw/zinc/40/19/36/779401936.db2.gz STLMYDMYHARKPV-MRXNPFEDSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccc(F)c(CN2CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001030527179 790831082 /nfs/dbraw/zinc/83/10/82/790831082.db2.gz CJZROEKUJGQSQT-UHFFFAOYSA-N 1 2 349.369 2.188 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(F)c(COC)c2)C1 ZINC001031965653 780907025 /nfs/dbraw/zinc/90/70/25/780907025.db2.gz NKNOFXAXFXVSKL-UHFFFAOYSA-N 1 2 326.799 2.386 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2oncc2C)C1 ZINC001087468904 781314473 /nfs/dbraw/zinc/31/44/73/781314473.db2.gz ZMTHRNDHRDIKKZ-IAGOWNOFSA-N 1 2 341.386 2.343 20 30 EEEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2oncc2C)C1 ZINC001087468904 781314479 /nfs/dbraw/zinc/31/44/79/781314479.db2.gz ZMTHRNDHRDIKKZ-IAGOWNOFSA-N 1 2 341.386 2.343 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccn3cc(C)nc13)C2 ZINC001098173155 781593081 /nfs/dbraw/zinc/59/30/81/781593081.db2.gz NTEVZPBCWHXOIB-MCIONIFRSA-N 1 2 345.834 2.125 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccn3cc(C)nc13)C2 ZINC001098173155 781593085 /nfs/dbraw/zinc/59/30/85/781593085.db2.gz NTEVZPBCWHXOIB-MCIONIFRSA-N 1 2 345.834 2.125 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079069961 790908045 /nfs/dbraw/zinc/90/80/45/790908045.db2.gz AFZPXMYSQRBHMA-APWZRJJASA-N 1 2 346.475 2.394 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1nccs1 ZINC001087534739 781741330 /nfs/dbraw/zinc/74/13/30/781741330.db2.gz HLKBPZPAORABIV-GXTWGEPZSA-N 1 2 329.429 2.126 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1nccs1 ZINC001087534739 781741333 /nfs/dbraw/zinc/74/13/33/781741333.db2.gz HLKBPZPAORABIV-GXTWGEPZSA-N 1 2 329.429 2.126 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(OCC)nc3)[C@@H]2C1 ZINC001075856806 783264048 /nfs/dbraw/zinc/26/40/48/783264048.db2.gz KDPHTOFIINXEDE-LSDHHAIUSA-N 1 2 335.835 2.379 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(OCC)nc3)[C@@H]2C1 ZINC001075856806 783264057 /nfs/dbraw/zinc/26/40/57/783264057.db2.gz KDPHTOFIINXEDE-LSDHHAIUSA-N 1 2 335.835 2.379 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCCCC[C@@H]([NH2+]Cc2noc(C3CCC3)n2)C1 ZINC001088281737 783354524 /nfs/dbraw/zinc/35/45/24/783354524.db2.gz SBNKBUNMUNPKSX-UKRRQHHQSA-N 1 2 345.447 2.358 20 30 EEEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)CC(C)(C)CC)CC2 ZINC001127997801 790936767 /nfs/dbraw/zinc/93/67/67/790936767.db2.gz XIUWCRSSQAMBDS-HNNXBMFYSA-N 1 2 345.491 2.038 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ncc(C)o2)C1 ZINC001131939769 783497283 /nfs/dbraw/zinc/49/72/83/783497283.db2.gz VHYGUHNBOLFPSN-HOCLYGCPSA-N 1 2 335.448 2.435 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ncc(C)o2)C1 ZINC001131939769 783497287 /nfs/dbraw/zinc/49/72/87/783497287.db2.gz VHYGUHNBOLFPSN-HOCLYGCPSA-N 1 2 335.448 2.435 20 30 EEEDLO C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001035397805 784443086 /nfs/dbraw/zinc/44/30/86/784443086.db2.gz LSPKVGFVXRIXLK-GFCCVEGCSA-N 1 2 340.855 2.022 20 30 EEEDLO C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001035397805 784443093 /nfs/dbraw/zinc/44/30/93/784443093.db2.gz LSPKVGFVXRIXLK-GFCCVEGCSA-N 1 2 340.855 2.022 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnc(-c3ccccc3)o2)C1 ZINC001035407377 784477857 /nfs/dbraw/zinc/47/78/57/784477857.db2.gz QZJWIGXLBMDRJF-MRXNPFEDSA-N 1 2 341.411 2.348 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnc(-c3ccccc3)o2)C1 ZINC001035407377 784477863 /nfs/dbraw/zinc/47/78/63/784477863.db2.gz QZJWIGXLBMDRJF-MRXNPFEDSA-N 1 2 341.411 2.348 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(F)c(C)c2)[C@H](O)C1 ZINC001090525035 784496516 /nfs/dbraw/zinc/49/65/16/784496516.db2.gz JQBISLKSTNLRLU-LSDHHAIUSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)c(C)c2)[C@H](O)C1 ZINC001090525035 784496519 /nfs/dbraw/zinc/49/65/19/784496519.db2.gz JQBISLKSTNLRLU-LSDHHAIUSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccnc3ccccc32)C1 ZINC001035435036 784521755 /nfs/dbraw/zinc/52/17/55/784521755.db2.gz LSYWPICRJJAPEI-OAHLLOKOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccnc3ccccc32)C1 ZINC001035435036 784521761 /nfs/dbraw/zinc/52/17/61/784521761.db2.gz LSYWPICRJJAPEI-OAHLLOKOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001035506474 784608075 /nfs/dbraw/zinc/60/80/75/784608075.db2.gz SSRNIBBHCKCONE-LJQANCHMSA-N 1 2 341.455 2.070 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001035506474 784608084 /nfs/dbraw/zinc/60/80/84/784608084.db2.gz SSRNIBBHCKCONE-LJQANCHMSA-N 1 2 341.455 2.070 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001035527377 784676800 /nfs/dbraw/zinc/67/68/00/784676800.db2.gz WPGHGBAVZCKGPA-OALUTQOASA-N 1 2 328.456 2.185 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001035527377 784676803 /nfs/dbraw/zinc/67/68/03/784676803.db2.gz WPGHGBAVZCKGPA-OALUTQOASA-N 1 2 328.456 2.185 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(C3CCCCC3)c2)C1 ZINC001035569928 784701494 /nfs/dbraw/zinc/70/14/94/784701494.db2.gz BUODBIGMJCLLGP-KRWDZBQOSA-N 1 2 332.448 2.005 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cnn(C3CCCCC3)c2)C1 ZINC001035569928 784701499 /nfs/dbraw/zinc/70/14/99/784701499.db2.gz BUODBIGMJCLLGP-KRWDZBQOSA-N 1 2 332.448 2.005 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Cl)cc(OC)c2)C1 ZINC001035554651 784724489 /nfs/dbraw/zinc/72/44/89/784724489.db2.gz YBQGQYXMSJWOSD-MRXNPFEDSA-N 1 2 338.835 2.355 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(Cl)cc(OC)c2)C1 ZINC001035554651 784724498 /nfs/dbraw/zinc/72/44/98/784724498.db2.gz YBQGQYXMSJWOSD-MRXNPFEDSA-N 1 2 338.835 2.355 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc3cccnc3s2)C1 ZINC001035565645 784744424 /nfs/dbraw/zinc/74/44/24/784744424.db2.gz YWXCGMJQJXVURD-CQSZACIVSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc3cccnc3s2)C1 ZINC001035565645 784744428 /nfs/dbraw/zinc/74/44/28/784744428.db2.gz YWXCGMJQJXVURD-CQSZACIVSA-N 1 2 331.441 2.303 20 30 EEEDLO COc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1Br ZINC000819440294 785546922 /nfs/dbraw/zinc/54/69/22/785546922.db2.gz KGZNGTVGWQBXND-GFCCVEGCSA-N 1 2 342.237 2.076 20 30 EEEDLO COc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1Br ZINC000819440294 785546926 /nfs/dbraw/zinc/54/69/26/785546926.db2.gz KGZNGTVGWQBXND-GFCCVEGCSA-N 1 2 342.237 2.076 20 30 EEEDLO Cc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)c(OC[C@H]2CCCO2)c1 ZINC000819422893 785556615 /nfs/dbraw/zinc/55/66/15/785556615.db2.gz ARMBXVCHZWSKOL-IAGOWNOFSA-N 1 2 347.459 2.171 20 30 EEEDLO Cc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c(OC[C@H]2CCCO2)c1 ZINC000819422893 785556622 /nfs/dbraw/zinc/55/66/22/785556622.db2.gz ARMBXVCHZWSKOL-IAGOWNOFSA-N 1 2 347.459 2.171 20 30 EEEDLO C#C[C@@H](NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000820560413 785973157 /nfs/dbraw/zinc/97/31/57/785973157.db2.gz UUGGANQSJNCZJF-RHSMWYFYSA-N 1 2 349.862 2.376 20 30 EEEDLO Cc1nc(NC/C=C/CNC(=O)CCCn2cc[nH+]c2)ccc1C#N ZINC001107237740 786588650 /nfs/dbraw/zinc/58/86/50/786588650.db2.gz UKFISQCGKSPTNN-NSCUHMNNSA-N 1 2 338.415 2.023 20 30 EEEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](CC)CCCCC)nn2)C1 ZINC001107238275 786589206 /nfs/dbraw/zinc/58/92/06/786589206.db2.gz PIZHGHCWYGBUTB-MRXNPFEDSA-N 1 2 345.491 2.381 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@]3(C)CC=C(C)CC3)nn2)C1 ZINC001107238036 786589577 /nfs/dbraw/zinc/58/95/77/786589577.db2.gz DNBJGNRTPRJAFO-IBGZPJMESA-N 1 2 343.475 2.464 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](CCCC)C(C)C)nn2)C1 ZINC001107238659 786590417 /nfs/dbraw/zinc/59/04/17/786590417.db2.gz JJWCJIGENASVMF-QGZVFWFLSA-N 1 2 333.480 2.399 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(F)c2Cl)[C@@H](O)C1 ZINC001090588779 787107504 /nfs/dbraw/zinc/10/75/04/787107504.db2.gz GWYNKHVNNNAGEL-OLZOCXBDSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc(F)c2Cl)[C@@H](O)C1 ZINC001090588779 787107509 /nfs/dbraw/zinc/10/75/09/787107509.db2.gz GWYNKHVNNNAGEL-OLZOCXBDSA-N 1 2 347.217 2.397 20 30 EEEDLO C=CCn1cc(C[NH2+]Cc2ccc(OC(=O)C3CC3)c(OC)c2)nn1 ZINC000822494695 787242192 /nfs/dbraw/zinc/24/21/92/787242192.db2.gz UANWEBULVHSMKC-UHFFFAOYSA-N 1 2 342.399 2.078 20 30 EEEDLO Cc1nsc(NC/C=C\CNC(=O)C[C@@H](C)n2cc[nH+]c2)c1C#N ZINC001107545159 787567077 /nfs/dbraw/zinc/56/70/77/787567077.db2.gz BKVONOUAKGPJFQ-VSQXVHSFSA-N 1 2 344.444 2.255 20 30 EEEDLO Cc1nsc(NCCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1C#N ZINC001109657105 805838125 /nfs/dbraw/zinc/83/81/25/805838125.db2.gz ZJNQRWIOSAEWQW-VXGBXAGGSA-N 1 2 344.444 2.110 20 30 EEEDLO Cc1nsc(NCCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1C#N ZINC001109657105 805838132 /nfs/dbraw/zinc/83/81/32/805838132.db2.gz ZJNQRWIOSAEWQW-VXGBXAGGSA-N 1 2 344.444 2.110 20 30 EEEDLO Cc1nc(NC(=N)c2ccc3ccccc3n2)cc(N2CCOCC2)[nH+]1 ZINC001171039578 788000102 /nfs/dbraw/zinc/00/01/02/788000102.db2.gz JICZJCCWHGJPHV-UHFFFAOYSA-N 1 2 348.410 2.207 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(F)cccc2Cl)[C@@H](O)C1 ZINC001090751560 788067063 /nfs/dbraw/zinc/06/70/63/788067063.db2.gz GDKUJCWUXRZKDR-STQMWFEESA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(F)cccc2Cl)[C@@H](O)C1 ZINC001090751560 788067071 /nfs/dbraw/zinc/06/70/71/788067071.db2.gz GDKUJCWUXRZKDR-STQMWFEESA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c(F)cccc2Cl)[C@H](O)C1 ZINC001090751557 788067094 /nfs/dbraw/zinc/06/70/94/788067094.db2.gz GDKUJCWUXRZKDR-CHWSQXEVSA-N 1 2 347.217 2.397 20 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ZINC001090264328 788534034 /nfs/dbraw/zinc/53/40/34/788534034.db2.gz ZCKJCRUXHHKVFB-DZGCQCFKSA-N 1 2 346.479 2.109 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001090972277 789226076 /nfs/dbraw/zinc/22/60/76/789226076.db2.gz PJZMSWXWHDUUGX-ZXYWRSMDSA-N 1 2 346.475 2.494 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CC(F)(F)C(F)F)CC2)C1 ZINC001105724613 789257029 /nfs/dbraw/zinc/25/70/29/789257029.db2.gz LCCGKNOLYKUFEE-UHFFFAOYSA-N 1 2 338.345 2.155 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccc3scnc32)C1 ZINC001107944000 789607733 /nfs/dbraw/zinc/60/77/33/789607733.db2.gz JBVOHMFIOYLBAB-QGZVFWFLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccc3scnc32)C1 ZINC001107944000 789607742 /nfs/dbraw/zinc/60/77/42/789607742.db2.gz JBVOHMFIOYLBAB-QGZVFWFLSA-N 1 2 331.441 2.303 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)cn1 ZINC001060287806 789631514 /nfs/dbraw/zinc/63/15/14/789631514.db2.gz LJFFOPIFFQGVQR-QGZVFWFLSA-N 1 2 338.415 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/nfs/dbraw/zinc/99/25/90/798992590.db2.gz PWKWIJCFPOSHLP-INIZCTEOSA-N 1 2 348.450 2.490 20 30 EEEDLO C[C@@H](c1ccccc1)[N@H+]1CCn2ncc(CNC(=O)C#CC3CC3)c2C1 ZINC001128347211 798992596 /nfs/dbraw/zinc/99/25/96/798992596.db2.gz PWKWIJCFPOSHLP-INIZCTEOSA-N 1 2 348.450 2.490 20 30 EEEDLO CC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)C#CC(C)(C)C)C1 ZINC001177525643 798994915 /nfs/dbraw/zinc/99/49/15/798994915.db2.gz RJJSIDHDUOSHAM-UHFFFAOYSA-N 1 2 328.456 2.131 20 30 EEEDLO C=CCN1C(=O)CC[C@]12CCCN(C(=O)[C@@H](C)n1cc[nH+]c1)CC2 ZINC001177922198 799182643 /nfs/dbraw/zinc/18/26/43/799182643.db2.gz OPVMMTSSWMJUAR-QAPCUYQASA-N 1 2 330.432 2.004 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CCC)C2)CC1 ZINC001065680066 799333776 /nfs/dbraw/zinc/33/37/76/799333776.db2.gz GCNKBEZDXHRJNP-MRXNPFEDSA-N 1 2 335.492 2.134 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C=C(C)C)C2)CC1 ZINC001065683142 799340288 /nfs/dbraw/zinc/34/02/88/799340288.db2.gz UWSTYBILTZHZDW-QZTJIDSGSA-N 1 2 347.503 2.300 20 30 EEEDLO C=C(C)CCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC(C)C)C2)CC1 ZINC001065683294 799340413 /nfs/dbraw/zinc/34/04/13/799340413.db2.gz XPYSAIQSLTXKNK-QGZVFWFLSA-N 1 2 335.492 2.134 20 30 EEEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nc(Cc2ccc(F)cc2)no1 ZINC001128413898 799345214 /nfs/dbraw/zinc/34/52/14/799345214.db2.gz PWRWARQATGDUMG-UHFFFAOYSA-N 1 2 346.406 2.362 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)C3CCC3)C2)CC1 ZINC001065705713 799354284 /nfs/dbraw/zinc/35/42/84/799354284.db2.gz BXEIDTJFIYQGQQ-FUHWJXTLSA-N 1 2 347.503 2.134 20 30 EEEDLO C#CCCCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCCC)C2)CC1 ZINC001065688194 799359283 /nfs/dbraw/zinc/35/92/83/799359283.db2.gz BXZRCQRGKKKDIT-SFHVURJKSA-N 1 2 347.503 2.115 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C(C)=C\C)C2)CC1 ZINC001065697580 799380213 /nfs/dbraw/zinc/38/02/13/799380213.db2.gz BYQUDNKZJDHEAM-LTFKWQPMSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@]3(C)C=CCC3)C2)CC1 ZINC001065708624 799402814 /nfs/dbraw/zinc/40/28/14/799402814.db2.gz GPABLSFKCJSFPZ-XLIONFOSSA-N 1 2 345.487 2.054 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC001065711976 799409942 /nfs/dbraw/zinc/40/99/42/799409942.db2.gz SIJWDXJNAZXNAT-FUHWJXTLSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[C@H]3CC)CC2)C1 ZINC001065712810 799412332 /nfs/dbraw/zinc/41/23/32/799412332.db2.gz FUBXFRFGYRSEDV-KZNAEPCWSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NCc1cnn2c1C[N@H+](CCCCOC)CC2 ZINC001128448905 799573501 /nfs/dbraw/zinc/57/35/01/799573501.db2.gz XLTQAFZKWGPBIK-JKSUJKDBSA-N 1 2 348.491 2.200 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NCc1cnn2c1C[N@@H+](CCCCOC)CC2 ZINC001128448905 799573507 /nfs/dbraw/zinc/57/35/07/799573507.db2.gz XLTQAFZKWGPBIK-JKSUJKDBSA-N 1 2 348.491 2.200 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCc1cnn2c1C[N@H+](CCCOCC)CC2 ZINC001128463610 799676754 /nfs/dbraw/zinc/67/67/54/799676754.db2.gz NGKAKDIVSGDYOI-MRXNPFEDSA-N 1 2 348.491 2.344 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCc1cnn2c1C[N@@H+](CCCOCC)CC2 ZINC001128463610 799676760 /nfs/dbraw/zinc/67/67/60/799676760.db2.gz NGKAKDIVSGDYOI-MRXNPFEDSA-N 1 2 348.491 2.344 20 30 EEEDLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1CNc1cccc(F)c1C#N ZINC001065910401 799720187 /nfs/dbraw/zinc/72/01/87/799720187.db2.gz JHMHGEONBXGCPY-STQMWFEESA-N 1 2 341.390 2.170 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001003661830 799966657 /nfs/dbraw/zinc/96/66/57/799966657.db2.gz NDVHVIQHMVOHSL-DGCLKSJQSA-N 1 2 331.254 2.043 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001066113366 800023244 /nfs/dbraw/zinc/02/32/44/800023244.db2.gz MIMCRGJINYYTBN-HNNXBMFYSA-N 1 2 332.448 2.196 20 30 EEEDLO CN(C(=O)[C@@H]1CCCO1)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001032888665 800270891 /nfs/dbraw/zinc/27/08/91/800270891.db2.gz PDKKPFWUDJJLLU-WMZOPIPTSA-N 1 2 346.858 2.403 20 30 EEEDLO CN(C(=O)[C@@H]1CCCO1)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001032888665 800270897 /nfs/dbraw/zinc/27/08/97/800270897.db2.gz PDKKPFWUDJJLLU-WMZOPIPTSA-N 1 2 346.858 2.403 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)on1 ZINC001032900186 800293871 /nfs/dbraw/zinc/29/38/71/800293871.db2.gz PZTOURAXGIQUAW-LBPRGKRZSA-N 1 2 330.413 2.263 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)on1 ZINC001032900186 800293876 /nfs/dbraw/zinc/29/38/76/800293876.db2.gz PZTOURAXGIQUAW-LBPRGKRZSA-N 1 2 330.413 2.263 20 30 EEEDLO C[C@H]1[C@@H]([NH2+]Cc2cnsn2)CCN1C(=O)CC#Cc1ccccc1 ZINC001180193918 800321961 /nfs/dbraw/zinc/32/19/61/800321961.db2.gz CZDBSDICDRCJKU-YOEHRIQHSA-N 1 2 340.452 2.059 20 30 EEEDLO Cc1cnoc1C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001003888939 800432390 /nfs/dbraw/zinc/43/23/90/800432390.db2.gz IXTQTNPJYNVMED-UHFFFAOYSA-N 1 2 342.374 2.388 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)[C@@]2(C)CC(c3ccc(F)cc3)=NO2)CC1 ZINC001180454015 800436538 /nfs/dbraw/zinc/43/65/38/800436538.db2.gz IYPTUKSRRGQLSB-GOSISDBHSA-N 1 2 331.391 2.039 20 30 EEEDLO N#Cc1ccccc1N1CCC(C(=O)N2CCc3[nH+]ccn3CC2)CC1 ZINC001180508397 800464194 /nfs/dbraw/zinc/46/41/94/800464194.db2.gz YISAPIPTTSYWNN-UHFFFAOYSA-N 1 2 349.438 2.056 20 30 EEEDLO CN(C(=O)c1cocn1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032950379 800528274 /nfs/dbraw/zinc/52/82/74/800528274.db2.gz JMMFEXUXHZLROO-AWEZNQCLSA-N 1 2 328.347 2.032 20 30 EEEDLO CN(C(=O)c1cocn1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032950379 800528276 /nfs/dbraw/zinc/52/82/76/800528276.db2.gz JMMFEXUXHZLROO-AWEZNQCLSA-N 1 2 328.347 2.032 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C)C2 ZINC001110238764 800539468 /nfs/dbraw/zinc/53/94/68/800539468.db2.gz AWQXGFQZQSNDDL-TUVASFSCSA-N 1 2 347.484 2.082 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C)C2 ZINC001110238764 800539471 /nfs/dbraw/zinc/53/94/71/800539471.db2.gz AWQXGFQZQSNDDL-TUVASFSCSA-N 1 2 347.484 2.082 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(-c3ccccc3)on2)C1 ZINC001108061855 800552417 /nfs/dbraw/zinc/55/24/17/800552417.db2.gz YKRULZXVEHUZMH-LJQANCHMSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(-c3ccccc3)on2)C1 ZINC001108061855 800552423 /nfs/dbraw/zinc/55/24/23/800552423.db2.gz YKRULZXVEHUZMH-LJQANCHMSA-N 1 2 341.411 2.348 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001032987875 800662074 /nfs/dbraw/zinc/66/20/74/800662074.db2.gz VBLXCMFRSQOUDT-AWEZNQCLSA-N 1 2 341.415 2.344 20 30 EEEDLO CC(C)c1ocnc1C[N@H+]1CC[C@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001032987875 800662082 /nfs/dbraw/zinc/66/20/82/800662082.db2.gz VBLXCMFRSQOUDT-AWEZNQCLSA-N 1 2 341.415 2.344 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@H]1CCCOC1 ZINC001085515005 800681716 /nfs/dbraw/zinc/68/17/16/800681716.db2.gz RXOWQKQZNNBHEI-ZWKOTPCHSA-N 1 2 327.428 2.018 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@H]1CCCOC1 ZINC001085515005 800681720 /nfs/dbraw/zinc/68/17/20/800681720.db2.gz RXOWQKQZNNBHEI-ZWKOTPCHSA-N 1 2 327.428 2.018 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)c1ccn(C)c1 ZINC001085548693 800750169 /nfs/dbraw/zinc/75/01/69/800750169.db2.gz AYMFWRGXBNGDIQ-QGZVFWFLSA-N 1 2 340.402 2.382 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)c1ccn(C)c1 ZINC001085548693 800750174 /nfs/dbraw/zinc/75/01/74/800750174.db2.gz AYMFWRGXBNGDIQ-QGZVFWFLSA-N 1 2 340.402 2.382 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1cc(F)c[nH]1 ZINC001085730481 801134227 /nfs/dbraw/zinc/13/42/27/801134227.db2.gz ZKUUQQZYGINDGR-KRWDZBQOSA-N 1 2 325.387 2.352 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)c1cc(F)c[nH]1 ZINC001085730481 801134233 /nfs/dbraw/zinc/13/42/33/801134233.db2.gz ZKUUQQZYGINDGR-KRWDZBQOSA-N 1 2 325.387 2.352 20 30 EEEDLO Cc1n[nH]cc1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085752517 801176747 /nfs/dbraw/zinc/17/67/47/801176747.db2.gz HLCBBXNNEJDBJP-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1n[nH]cc1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001085752517 801176749 /nfs/dbraw/zinc/17/67/49/801176749.db2.gz HLCBBXNNEJDBJP-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2cccnc2OC)cc1 ZINC001085756258 801195786 /nfs/dbraw/zinc/19/57/86/801195786.db2.gz DCOGFMZZXUJUJG-IBGZPJMESA-N 1 2 349.434 2.418 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2cccnc2OC)cc1 ZINC001085756258 801195791 /nfs/dbraw/zinc/19/57/91/801195791.db2.gz DCOGFMZZXUJUJG-IBGZPJMESA-N 1 2 349.434 2.418 20 30 EEEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)Cc2ccc[nH]2)CC1 ZINC001004189047 801222973 /nfs/dbraw/zinc/22/29/73/801222973.db2.gz PYHKELZIBZWXQL-UHFFFAOYSA-N 1 2 340.402 2.349 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001182818284 801360772 /nfs/dbraw/zinc/36/07/72/801360772.db2.gz CLGSYYXSSLZQDU-OAHLLOKOSA-N 1 2 330.432 2.406 20 30 EEEDLO COc1cccc(C(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2ccccc2)n1 ZINC001085904077 801611490 /nfs/dbraw/zinc/61/14/90/801611490.db2.gz WQFXWBKVSZLTLP-GOSISDBHSA-N 1 2 349.434 2.288 20 30 EEEDLO COc1cccc(C(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2ccccc2)n1 ZINC001085904077 801611498 /nfs/dbraw/zinc/61/14/98/801611498.db2.gz WQFXWBKVSZLTLP-GOSISDBHSA-N 1 2 349.434 2.288 20 30 EEEDLO C=CCCC(=O)NC1(CO)CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001112651671 806932830 /nfs/dbraw/zinc/93/28/30/806932830.db2.gz VIPNZOOEUUAWMH-UHFFFAOYSA-N 1 2 346.475 2.322 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCc2ccccc2C)[C@H](O)C1 ZINC001100016113 801836131 /nfs/dbraw/zinc/83/61/31/801836131.db2.gz VOZVPBGAAZUWQJ-IAGOWNOFSA-N 1 2 336.863 2.232 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccccc2C)[C@H](O)C1 ZINC001100016113 801836140 /nfs/dbraw/zinc/83/61/40/801836140.db2.gz VOZVPBGAAZUWQJ-IAGOWNOFSA-N 1 2 336.863 2.232 20 30 EEEDLO N#Cc1cccc(N2C[C@H](C(=O)Nc3cccc4[nH+]ccn43)OC2=O)c1 ZINC001184367965 802014040 /nfs/dbraw/zinc/01/40/40/802014040.db2.gz KPNOEFCXYVVDDW-CQSZACIVSA-N 1 2 347.334 2.170 20 30 EEEDLO CC(C)Cn1ccc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004448499 802068842 /nfs/dbraw/zinc/06/88/42/802068842.db2.gz ZGFOZBZKKJCDTA-SFHVURJKSA-N 1 2 343.475 2.379 20 30 EEEDLO CC(C)Cn1ccc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004448499 802068850 /nfs/dbraw/zinc/06/88/50/802068850.db2.gz ZGFOZBZKKJCDTA-SFHVURJKSA-N 1 2 343.475 2.379 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 ZINC001004463511 802120511 /nfs/dbraw/zinc/12/05/11/802120511.db2.gz LFCDRVMVSRUTLO-SFHVURJKSA-N 1 2 341.459 2.060 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 ZINC001004463511 802120518 /nfs/dbraw/zinc/12/05/18/802120518.db2.gz LFCDRVMVSRUTLO-SFHVURJKSA-N 1 2 341.459 2.060 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cc(C(F)F)ncn2)CC1 ZINC001004471544 802160083 /nfs/dbraw/zinc/16/00/83/802160083.db2.gz ALPMZNVSCUYLSM-HNNXBMFYSA-N 1 2 349.385 2.254 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cc(C(F)F)ncn2)CC1 ZINC001004471544 802160088 /nfs/dbraw/zinc/16/00/88/802160088.db2.gz ALPMZNVSCUYLSM-HNNXBMFYSA-N 1 2 349.385 2.254 20 30 EEEDLO C[C@@H](CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)c1cnn(C)c1 ZINC001004492847 802210933 /nfs/dbraw/zinc/21/09/33/802210933.db2.gz JTMFZVNKOIRBQQ-MAUKXSAKSA-N 1 2 343.475 2.140 20 30 EEEDLO C[C@@H](CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)c1cnn(C)c1 ZINC001004492847 802210938 /nfs/dbraw/zinc/21/09/38/802210938.db2.gz JTMFZVNKOIRBQQ-MAUKXSAKSA-N 1 2 343.475 2.140 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2ccccn2)CC1 ZINC001004507655 802244921 /nfs/dbraw/zinc/24/49/21/802244921.db2.gz PMSICUVMBLYQJG-SFHVURJKSA-N 1 2 326.444 2.241 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2ccccn2)CC1 ZINC001004507655 802244927 /nfs/dbraw/zinc/24/49/27/802244927.db2.gz PMSICUVMBLYQJG-SFHVURJKSA-N 1 2 326.444 2.241 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ncc(OC)cc2F)C1 ZINC001033137187 802307184 /nfs/dbraw/zinc/30/71/84/802307184.db2.gz RAIWWMNLFAURHW-LLVKDONJSA-N 1 2 327.787 2.128 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ncc(OC)cc2F)C1 ZINC001033137187 802307193 /nfs/dbraw/zinc/30/71/93/802307193.db2.gz RAIWWMNLFAURHW-LLVKDONJSA-N 1 2 327.787 2.128 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001185056744 802307296 /nfs/dbraw/zinc/30/72/96/802307296.db2.gz UCHIMWUMXFIYNM-WDEREUQCSA-N 1 2 328.363 2.300 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2nnc(OCC)s2)C1 ZINC001185064889 802311322 /nfs/dbraw/zinc/31/13/22/802311322.db2.gz ZNYCICROIQIVGZ-CHWSQXEVSA-N 1 2 338.477 2.230 20 30 EEEDLO C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)Nc1ncc(C#N)cc1Cl ZINC001098319382 802620536 /nfs/dbraw/zinc/62/05/36/802620536.db2.gz FSJPJPJHXPIDLS-WDEREUQCSA-N 1 2 346.822 2.125 20 30 EEEDLO C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)Nc1ncc(C#N)cc1Cl ZINC001098319382 802620538 /nfs/dbraw/zinc/62/05/38/802620538.db2.gz FSJPJPJHXPIDLS-WDEREUQCSA-N 1 2 346.822 2.125 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CCC1 ZINC001066506707 802816328 /nfs/dbraw/zinc/81/63/28/802816328.db2.gz IFCCFQWZLAREDQ-OAHLLOKOSA-N 1 2 344.459 2.196 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)COC[C@H](C)c2ccccc2)C1 ZINC001108371280 803383211 /nfs/dbraw/zinc/38/32/11/803383211.db2.gz QHMPGSWGRKSBHR-FXAWDEMLSA-N 1 2 346.471 2.200 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)COC[C@H](C)c2ccccc2)C1 ZINC001108371280 803383218 /nfs/dbraw/zinc/38/32/18/803383218.db2.gz QHMPGSWGRKSBHR-FXAWDEMLSA-N 1 2 346.471 2.200 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCOc2ccccc2)C1 ZINC001108380771 803407532 /nfs/dbraw/zinc/40/75/32/803407532.db2.gz WBNJQMGDOYNHFZ-IBGZPJMESA-N 1 2 332.444 2.239 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCOc2ccccc2)C1 ZINC001108380771 803407542 /nfs/dbraw/zinc/40/75/42/803407542.db2.gz WBNJQMGDOYNHFZ-IBGZPJMESA-N 1 2 332.444 2.239 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CCOc2ccccc2)C1 ZINC001108440853 803582802 /nfs/dbraw/zinc/58/28/02/803582802.db2.gz GBLQRGODOXOXBN-FXAWDEMLSA-N 1 2 346.471 2.485 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)CCOc2ccccc2)C1 ZINC001108440853 803582803 /nfs/dbraw/zinc/58/28/03/803582803.db2.gz GBLQRGODOXOXBN-FXAWDEMLSA-N 1 2 346.471 2.485 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@H](CC)CC(C)C)CC2=O)C1 ZINC001108585757 804224823 /nfs/dbraw/zinc/22/48/23/804224823.db2.gz VIQLUBDBQWASIG-HZPDHXFCSA-N 1 2 335.492 2.036 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)CNc2[nH+]cnc3c2cnn3C)CC1 ZINC001108675701 804349400 /nfs/dbraw/zinc/34/94/00/804349400.db2.gz JHVXJAGLJMLLAS-LBPRGKRZSA-N 1 2 328.420 2.026 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)cc(F)c1 ZINC001109072560 804908880 /nfs/dbraw/zinc/90/88/80/804908880.db2.gz IMGPDWAUQKKDDK-IKGGRYGDSA-N 1 2 336.382 2.389 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)cc(F)c1 ZINC001109072560 804908884 /nfs/dbraw/zinc/90/88/84/804908884.db2.gz IMGPDWAUQKKDDK-IKGGRYGDSA-N 1 2 336.382 2.389 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(Cl)c1 ZINC001109072582 804908929 /nfs/dbraw/zinc/90/89/29/804908929.db2.gz JCLQGASKVQETEX-ILXRZTDVSA-N 1 2 335.835 2.159 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(Cl)c1 ZINC001109072582 804908930 /nfs/dbraw/zinc/90/89/30/804908930.db2.gz JCLQGASKVQETEX-ILXRZTDVSA-N 1 2 335.835 2.159 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(Cl)Cl ZINC001109267884 805215873 /nfs/dbraw/zinc/21/58/73/805215873.db2.gz SVZHVHSXFXTLGY-RNJOBUHISA-N 1 2 331.243 2.065 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(Cl)Cl ZINC001109267884 805215884 /nfs/dbraw/zinc/21/58/84/805215884.db2.gz SVZHVHSXFXTLGY-RNJOBUHISA-N 1 2 331.243 2.065 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCCCCCC1)C2 ZINC001109505976 805562663 /nfs/dbraw/zinc/56/26/63/805562663.db2.gz ODMLBAPFIHXNOV-SQNIBIBYSA-N 1 2 347.503 2.371 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCCCCCC1)C2 ZINC001109505976 805562669 /nfs/dbraw/zinc/56/26/69/805562669.db2.gz ODMLBAPFIHXNOV-SQNIBIBYSA-N 1 2 347.503 2.371 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](C[C@H](OC)c2ccccc2)CC1 ZINC001112676399 806990783 /nfs/dbraw/zinc/99/07/83/806990783.db2.gz KVLFEDHMABCZLC-HKUYNNGSSA-N 1 2 346.471 2.500 20 30 EEEDLO C=CCOCCCC(=O)N1CC[NH+](Cc2sc(C)nc2C)CC1 ZINC001112754180 807151844 /nfs/dbraw/zinc/15/18/44/807151844.db2.gz PTDNCLKCTVNWIT-UHFFFAOYSA-N 1 2 337.489 2.387 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112794142 807260529 /nfs/dbraw/zinc/26/05/29/807260529.db2.gz AMNZIBFHRFPSKE-LPHOPBHVSA-N 1 2 346.475 2.156 20 30 EEEDLO C=CCOCC(=O)NC1CC(CNc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001112826513 807363364 /nfs/dbraw/zinc/36/33/64/807363364.db2.gz VDCLBTRBRKZXRS-UHFFFAOYSA-N 1 2 344.459 2.173 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CCCc2nc(C)no2)CC1 ZINC001112885824 807541062 /nfs/dbraw/zinc/54/10/62/807541062.db2.gz SGLQJAVBXIUVSG-UHFFFAOYSA-N 1 2 332.448 2.223 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(OCC=C)cc2)CC1 ZINC001113022890 807877348 /nfs/dbraw/zinc/87/73/48/807877348.db2.gz YXCPDZQKWZZCFD-UHFFFAOYSA-N 1 2 330.428 2.212 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc3ncccc3c2)CC1 ZINC001113291822 808639347 /nfs/dbraw/zinc/63/93/47/808639347.db2.gz IAUYFYLQRURVMI-UHFFFAOYSA-N 1 2 325.412 2.195 20 30 EEEDLO C=C1CCC(C(=O)N2CC[NH+](C[C@@H](O)CC(F)(F)F)CC2)CC1 ZINC001113303319 808671926 /nfs/dbraw/zinc/67/19/26/808671926.db2.gz XQTIHDFGJHBLDX-AWEZNQCLSA-N 1 2 334.382 2.190 20 30 EEEDLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H](C)Nc1ncc(C#N)cc1Cl ZINC001113351971 808812614 /nfs/dbraw/zinc/81/26/14/808812614.db2.gz KWJXHLKSKOQRDB-QWRGUYRKSA-N 1 2 346.822 2.268 20 30 EEEDLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H](C)Nc1ncc(C#N)cc1Cl ZINC001113351971 808812622 /nfs/dbraw/zinc/81/26/22/808812622.db2.gz KWJXHLKSKOQRDB-QWRGUYRKSA-N 1 2 346.822 2.268 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnn([C@@H](C)CC)c2C)CC1 ZINC001113517385 809119017 /nfs/dbraw/zinc/11/90/17/809119017.db2.gz NBSAGNYTINILLR-HNNXBMFYSA-N 1 2 334.464 2.123 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113640216 809423783 /nfs/dbraw/zinc/42/37/83/809423783.db2.gz RAFAIQHUSUICHR-UONOGXRCSA-N 1 2 332.448 2.194 20 30 EEEDLO O=C(CC#Cc1ccccc1)N1CC[NH+](CCc2ccns2)CC1 ZINC001113668395 809495606 /nfs/dbraw/zinc/49/56/06/809495606.db2.gz FVZASUCGJZOVAM-UHFFFAOYSA-N 1 2 339.464 2.272 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC001113713526 809619163 /nfs/dbraw/zinc/61/91/63/809619163.db2.gz SBXGGJWWYCPSST-INIZCTEOSA-N 1 2 332.444 2.239 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](OC(C)C)c2ccccc2)CC1 ZINC001113760629 809715782 /nfs/dbraw/zinc/71/57/82/809715782.db2.gz WHHZUWCMJDJXBE-IBGZPJMESA-N 1 2 346.471 2.500 20 30 EEEDLO CCOC(=O)[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)[C@@H](C)O ZINC001170362345 809907283 /nfs/dbraw/zinc/90/72/83/809907283.db2.gz YHSGUNQOGVZZNF-BBPFYFEFSA-N 1 2 330.428 2.293 20 30 EEEDLO N#Cc1c(=O)n(CN2CCC(n3cc[nH+]c3)CC2)cc2c1CCCC2 ZINC000793497550 810389196 /nfs/dbraw/zinc/38/91/96/810389196.db2.gz INUTXKCTDVZNMR-UHFFFAOYSA-N 1 2 337.427 2.090 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)(C)C)n1 ZINC001114258215 810696115 /nfs/dbraw/zinc/69/61/15/810696115.db2.gz NCYQACFQWNLGIM-VQFNDLOPSA-N 1 2 328.460 2.060 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)(C)C)n1 ZINC001114258215 810696116 /nfs/dbraw/zinc/69/61/16/810696116.db2.gz NCYQACFQWNLGIM-VQFNDLOPSA-N 1 2 328.460 2.060 20 30 EEEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC1CC1 ZINC001114258941 810696903 /nfs/dbraw/zinc/69/69/03/810696903.db2.gz ZXDJWMDKJJNWIC-TXPWEPMLSA-N 1 2 341.455 2.493 20 30 EEEDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC1CC1 ZINC001114258941 810696905 /nfs/dbraw/zinc/69/69/05/810696905.db2.gz ZXDJWMDKJJNWIC-TXPWEPMLSA-N 1 2 341.455 2.493 20 30 EEEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001131307392 812645444 /nfs/dbraw/zinc/64/54/44/812645444.db2.gz RKJGMVAHKNOPFB-ZACQAIPSSA-N 1 2 347.459 2.025 20 30 EEEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001131307392 812645446 /nfs/dbraw/zinc/64/54/46/812645446.db2.gz RKJGMVAHKNOPFB-ZACQAIPSSA-N 1 2 347.459 2.025 20 30 EEEDLO C#CCCCCC(=O)N1C[C@H](C)O[C@]2(CC[N@H+](Cc3ccon3)C2)C1 ZINC001131648917 813075575 /nfs/dbraw/zinc/07/55/75/813075575.db2.gz BORTUWIHCNGQHA-LPHOPBHVSA-N 1 2 345.443 2.060 20 30 EEEDLO C#CCCCCC(=O)N1C[C@H](C)O[C@]2(CC[N@@H+](Cc3ccon3)C2)C1 ZINC001131648917 813075583 /nfs/dbraw/zinc/07/55/83/813075583.db2.gz BORTUWIHCNGQHA-LPHOPBHVSA-N 1 2 345.443 2.060 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CCC(F)F)C[C@@H](C)O2 ZINC001131669908 813102607 /nfs/dbraw/zinc/10/26/07/813102607.db2.gz WJLCMLZEPIJABZ-DOMZBBRYSA-N 1 2 336.810 2.476 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCC(F)F)C[C@@H](C)O2 ZINC001131669908 813102610 /nfs/dbraw/zinc/10/26/10/813102610.db2.gz WJLCMLZEPIJABZ-DOMZBBRYSA-N 1 2 336.810 2.476 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H](CC)OC)CC1 ZINC001439796291 1092753133 /nfs/dbraw/zinc/75/31/33/1092753133.db2.gz LFOWLGMJFQBOME-LBPRGKRZSA-N 1 2 333.270 2.291 20 30 EEEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)c1ccc(-c2nnc[nH]2)cc1)C1CC1 ZINC001441250675 1094645575 /nfs/dbraw/zinc/64/55/75/1094645575.db2.gz MEPHQLOBZORVGF-OAHLLOKOSA-N 1 2 345.834 2.322 20 30 EEEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)c1c[nH]c(C)cc1=O)c1ccccc1 ZINC001443129191 1097552161 /nfs/dbraw/zinc/55/21/61/1097552161.db2.gz KIKYXRKKRGYWCC-MRXNPFEDSA-N 1 2 345.830 2.497 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)CCc2ccon2)C1 ZINC001443801627 1098290788 /nfs/dbraw/zinc/29/07/88/1098290788.db2.gz LHCLVRYXSTWISV-CYBMUJFWSA-N 1 2 342.237 2.049 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)CCc2ccon2)C1 ZINC001443801627 1098290794 /nfs/dbraw/zinc/29/07/94/1098290794.db2.gz LHCLVRYXSTWISV-CYBMUJFWSA-N 1 2 342.237 2.049 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cc(OCC)n[nH]2)C1 ZINC001493957764 1103197135 /nfs/dbraw/zinc/19/71/35/1103197135.db2.gz WCZYYQHACLAUBK-ZDUSSCGKSA-N 1 2 340.855 2.487 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc(OCC)n[nH]2)C1 ZINC001493957764 1103197141 /nfs/dbraw/zinc/19/71/41/1103197141.db2.gz WCZYYQHACLAUBK-ZDUSSCGKSA-N 1 2 340.855 2.487 20 30 EEEDLO Cc1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001454752530 1107584482 /nfs/dbraw/zinc/58/44/82/1107584482.db2.gz DGSVXPNQJMUZDZ-CQSZACIVSA-N 1 2 339.447 2.226 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001479424626 1110694792 /nfs/dbraw/zinc/69/47/92/1110694792.db2.gz WSCPZDPFUYZTSV-JKSUJKDBSA-N 1 2 336.863 2.484 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC(C)(C)O)C1 ZINC001479424626 1110694793 /nfs/dbraw/zinc/69/47/93/1110694793.db2.gz WSCPZDPFUYZTSV-JKSUJKDBSA-N 1 2 336.863 2.484 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1CC(=C)C ZINC001524367217 1120078421 /nfs/dbraw/zinc/07/84/21/1120078421.db2.gz BVUKAMLDUQOION-JKSUJKDBSA-N 1 2 331.464 2.094 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1CC(=C)C ZINC001524367217 1120078428 /nfs/dbraw/zinc/07/84/28/1120078428.db2.gz BVUKAMLDUQOION-JKSUJKDBSA-N 1 2 331.464 2.094 20 30 EEEDLO C=CCN(CCOC)c1nnc([C@H]2CCCC[N@@H+]2C)n1CC1CC1 ZINC001527058696 1120647066 /nfs/dbraw/zinc/64/70/66/1120647066.db2.gz NTJXTDRBSHAPQK-MRXNPFEDSA-N 1 2 333.480 2.484 20 30 EEEDLO C=CCN(CCOC)c1nnc([C@H]2CCCC[N@H+]2C)n1CC1CC1 ZINC001527058696 1120647068 /nfs/dbraw/zinc/64/70/68/1120647068.db2.gz NTJXTDRBSHAPQK-MRXNPFEDSA-N 1 2 333.480 2.484 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000018121528 201993675 /nfs/dbraw/zinc/99/36/75/201993675.db2.gz UDPGEHBFHFQIFD-UHFFFAOYSA-N 1 2 335.407 2.395 20 30 EEEDLO Cc1noc([C@H]2CCC[N@H+](CC(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000054677803 201131908 /nfs/dbraw/zinc/13/19/08/201131908.db2.gz LFTBYCBKQQAJDS-AWEZNQCLSA-N 1 2 325.372 2.068 20 30 EEEDLO Cc1noc([C@H]2CCC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000054677803 201131912 /nfs/dbraw/zinc/13/19/12/201131912.db2.gz LFTBYCBKQQAJDS-AWEZNQCLSA-N 1 2 325.372 2.068 20 30 EEEDLO C=CCOc1ccc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1OC ZINC000264295137 201210043 /nfs/dbraw/zinc/21/00/43/201210043.db2.gz QTWVEGAKJHPJAR-CABCVRRESA-N 1 2 348.443 2.099 20 30 EEEDLO C=CCSCCNc1[nH+]cnc2c1c(Br)nn2C ZINC000263964961 201208101 /nfs/dbraw/zinc/20/81/01/201208101.db2.gz RFRYHTIZYOYXGA-UHFFFAOYSA-N 1 2 328.239 2.457 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000279685808 201320147 /nfs/dbraw/zinc/32/01/47/201320147.db2.gz HANKQWYNTPZEIT-UHFFFAOYSA-N 1 2 328.372 2.455 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000279685808 201320150 /nfs/dbraw/zinc/32/01/50/201320150.db2.gz HANKQWYNTPZEIT-UHFFFAOYSA-N 1 2 328.372 2.455 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(C(=O)OC)c(F)c2)n1 ZINC000279684357 201320839 /nfs/dbraw/zinc/32/08/39/201320839.db2.gz GXROABUHRXXZAW-UHFFFAOYSA-N 1 2 329.375 2.464 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(C(=O)OC)c(F)c2)n1 ZINC000279684357 201320842 /nfs/dbraw/zinc/32/08/42/201320842.db2.gz GXROABUHRXXZAW-UHFFFAOYSA-N 1 2 329.375 2.464 20 30 EEEDLO C=CCCn1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)nn1 ZINC000424768911 241040702 /nfs/dbraw/zinc/04/07/02/241040702.db2.gz ATEIOBKJENPMOK-AWEZNQCLSA-N 1 2 345.472 2.435 20 30 EEEDLO O=C(C[N@H+]1CC[C@H](F)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000451185742 243025411 /nfs/dbraw/zinc/02/54/11/243025411.db2.gz ATRNHBVMRAYBIZ-AWEZNQCLSA-N 1 2 328.309 2.217 20 30 EEEDLO O=C(C[N@@H+]1CC[C@H](F)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000451185742 243025417 /nfs/dbraw/zinc/02/54/17/243025417.db2.gz ATRNHBVMRAYBIZ-AWEZNQCLSA-N 1 2 328.309 2.217 20 30 EEEDLO C[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](C)[NH+]1CCOCC1 ZINC000104978724 204128336 /nfs/dbraw/zinc/12/83/36/204128336.db2.gz QBSCLHSETJIFTL-NEPJUHHUSA-N 1 2 336.823 2.442 20 30 EEEDLO N#Cc1cccc(OC2CCN(C(=O)NCCn3cc[nH+]c3)CC2)c1 ZINC000105062960 204132043 /nfs/dbraw/zinc/13/20/43/204132043.db2.gz MDPDLZATOOQRFG-UHFFFAOYSA-N 1 2 339.399 2.008 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000491625392 246087099 /nfs/dbraw/zinc/08/70/99/246087099.db2.gz HTLGMUUCMKLKME-LLVKDONJSA-N 1 2 331.372 2.216 20 30 EEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000491625392 246087107 /nfs/dbraw/zinc/08/71/07/246087107.db2.gz HTLGMUUCMKLKME-LLVKDONJSA-N 1 2 331.372 2.216 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCN(c3ccc(F)cc3)C2=O)n1 ZINC000491786839 246150295 /nfs/dbraw/zinc/15/02/95/246150295.db2.gz POUKEFXXIHALMS-GOSISDBHSA-N 1 2 340.402 2.283 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCN(c3ccc(F)cc3)C2=O)n1 ZINC000491786839 246150301 /nfs/dbraw/zinc/15/03/01/246150301.db2.gz POUKEFXXIHALMS-GOSISDBHSA-N 1 2 340.402 2.283 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCN(CC)C(=O)[C@@H]1CC ZINC000495239932 247096230 /nfs/dbraw/zinc/09/62/30/247096230.db2.gz LLPFHPNNXLAKMY-ROUUACIJSA-N 1 2 346.471 2.098 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCN(CC)C(=O)[C@@H]1CC ZINC000495239932 247096235 /nfs/dbraw/zinc/09/62/35/247096235.db2.gz LLPFHPNNXLAKMY-ROUUACIJSA-N 1 2 346.471 2.098 20 30 EEEDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000160854088 206316996 /nfs/dbraw/zinc/31/69/96/206316996.db2.gz XSNZXDAEHVQLMR-UHFFFAOYSA-N 1 2 337.427 2.329 20 30 EEEDLO CCc1cc(=O)[nH]c(C[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000160854088 206316999 /nfs/dbraw/zinc/31/69/99/206316999.db2.gz XSNZXDAEHVQLMR-UHFFFAOYSA-N 1 2 337.427 2.329 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cccc(COC)c2)n1 ZINC000491647051 533218581 /nfs/dbraw/zinc/21/85/81/533218581.db2.gz WFMNBUQAGJPSLQ-UHFFFAOYSA-N 1 2 327.428 2.311 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cccc(COC)c2)n1 ZINC000491647051 533218585 /nfs/dbraw/zinc/21/85/85/533218585.db2.gz WFMNBUQAGJPSLQ-UHFFFAOYSA-N 1 2 327.428 2.311 20 30 EEEDLO C[N@H+](CCc1cnccn1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000271316167 256232190 /nfs/dbraw/zinc/23/21/90/256232190.db2.gz IXJTWYDAIAYJKW-UHFFFAOYSA-N 1 2 329.791 2.115 20 30 EEEDLO C[N@@H+](CCc1cnccn1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000271316167 256232192 /nfs/dbraw/zinc/23/21/92/256232192.db2.gz IXJTWYDAIAYJKW-UHFFFAOYSA-N 1 2 329.791 2.115 20 30 EEEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O ZINC000491689990 533285422 /nfs/dbraw/zinc/28/54/22/533285422.db2.gz LBMZAVPHWFDETR-QFYYESIMSA-N 1 2 337.782 2.157 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O ZINC000491689990 533285425 /nfs/dbraw/zinc/28/54/25/533285425.db2.gz LBMZAVPHWFDETR-QFYYESIMSA-N 1 2 337.782 2.157 20 30 EEEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1C ZINC000191864631 533430710 /nfs/dbraw/zinc/43/07/10/533430710.db2.gz LCINRKWMOVTJCT-RISCZKNCSA-N 1 2 349.818 2.281 20 30 EEEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1C ZINC000191864631 533430715 /nfs/dbraw/zinc/43/07/15/533430715.db2.gz LCINRKWMOVTJCT-RISCZKNCSA-N 1 2 349.818 2.281 20 30 EEEDLO C[C@@H](CN[C@H](C(N)=O)c1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000115596525 152032623 /nfs/dbraw/zinc/03/26/23/152032623.db2.gz FDGAJZBKUULZGF-YWZLYKJASA-N 1 2 348.450 2.121 20 30 EEEDLO C[C@@H](CN[C@H](C(N)=O)c1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000115596525 152032624 /nfs/dbraw/zinc/03/26/24/152032624.db2.gz FDGAJZBKUULZGF-YWZLYKJASA-N 1 2 348.450 2.121 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000125828877 292301192 /nfs/dbraw/zinc/30/11/92/292301192.db2.gz CAYAUNXPNXVEMJ-RDJZCZTQSA-N 1 2 336.457 2.354 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000125828877 292301193 /nfs/dbraw/zinc/30/11/93/292301193.db2.gz CAYAUNXPNXVEMJ-RDJZCZTQSA-N 1 2 336.457 2.354 20 30 EEEDLO COC(=O)C1([NH2+]CCC(=O)Nc2sccc2C#N)CCCCC1 ZINC000109800152 159353557 /nfs/dbraw/zinc/35/35/57/159353557.db2.gz IFNCFBXYZTVKOC-UHFFFAOYSA-N 1 2 335.429 2.414 20 30 EEEDLO N#Cc1cccc(-c2cc(C(=O)N[C@H]3CCn4cc[nH+]c4C3)on2)c1 ZINC000345265691 161286645 /nfs/dbraw/zinc/28/66/45/161286645.db2.gz UYHQENDMUOTJGH-AWEZNQCLSA-N 1 2 333.351 2.155 20 30 EEEDLO C[C@H]([NH2+]Cc1nc(N)nc(N)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000364689799 165236628 /nfs/dbraw/zinc/23/66/28/165236628.db2.gz GTFYDCOYROGEDD-LBPRGKRZSA-N 1 2 345.410 2.086 20 30 EEEDLO COC(=O)C1=C(C)O[C@@H](C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000374865617 167054632 /nfs/dbraw/zinc/05/46/32/167054632.db2.gz RVJSSDNVCCLILT-AEFFLSMTSA-N 1 2 342.395 2.167 20 30 EEEDLO COC(=O)C1=C(C)O[C@@H](C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000374865617 167054634 /nfs/dbraw/zinc/05/46/34/167054634.db2.gz RVJSSDNVCCLILT-AEFFLSMTSA-N 1 2 342.395 2.167 20 30 EEEDLO N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000332406301 270018799 /nfs/dbraw/zinc/01/87/99/270018799.db2.gz HYXCOXZPEKNNFL-ZDUSSCGKSA-N 1 2 348.403 2.130 20 30 EEEDLO CCN(CC)C(=O)C[NH+]1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000301205384 266111278 /nfs/dbraw/zinc/11/12/78/266111278.db2.gz PNHOOXMKJMKSSO-UHFFFAOYSA-N 1 2 334.851 2.202 20 30 EEEDLO CCn1ccnc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000296603006 266471096 /nfs/dbraw/zinc/47/10/96/266471096.db2.gz XUYJGBXDPSDYNH-WMLDXEAASA-N 1 2 337.427 2.226 20 30 EEEDLO C[C@@H]1C[NH+]=C(N2CCN(c3nc4c(cc3C#N)CCCC4)CC2)S1 ZINC000301897428 267068169 /nfs/dbraw/zinc/06/81/69/267068169.db2.gz RFBAZCHRGJQPHK-CYBMUJFWSA-N 1 2 341.484 2.445 20 30 EEEDLO C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CCC1(F)F ZINC000290005376 267232502 /nfs/dbraw/zinc/23/25/02/267232502.db2.gz ZKFLPTGTZXFTTO-LBPRGKRZSA-N 1 2 328.384 2.309 20 30 EEEDLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CCC1(F)F ZINC000290005376 267232505 /nfs/dbraw/zinc/23/25/05/267232505.db2.gz ZKFLPTGTZXFTTO-LBPRGKRZSA-N 1 2 328.384 2.309 20 30 EEEDLO N#CCCCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000351509850 267940743 /nfs/dbraw/zinc/94/07/43/267940743.db2.gz NHAIEBABENXSCY-UHFFFAOYSA-N 1 2 325.416 2.079 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@@H]3F)CC2)cc1 ZINC000455106873 268219278 /nfs/dbraw/zinc/21/92/78/268219278.db2.gz NJMGFNGBNLCYGW-DLBZAZTESA-N 1 2 330.407 2.276 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000274814938 269056714 /nfs/dbraw/zinc/05/67/14/269056714.db2.gz AHLLVAHJAZDTCY-INIZCTEOSA-N 1 2 331.416 2.284 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000274814938 269056716 /nfs/dbraw/zinc/05/67/16/269056716.db2.gz AHLLVAHJAZDTCY-INIZCTEOSA-N 1 2 331.416 2.284 20 30 EEEDLO C[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000151263595 278369074 /nfs/dbraw/zinc/36/90/74/278369074.db2.gz FEYXYLNJVXHJDU-ZFWWWQNUSA-N 1 2 330.413 2.027 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000268474464 290271762 /nfs/dbraw/zinc/27/17/62/290271762.db2.gz KANYKBRKIWRQHS-CYBMUJFWSA-N 1 2 338.371 2.140 20 30 EEEDLO CN1CC[N@H+](C)C[C@@H]1c1noc(C2(c3cc(F)cc(C#N)c3)CC2)n1 ZINC000350052895 312313975 /nfs/dbraw/zinc/31/39/75/312313975.db2.gz SOYLDLFQWUUYJQ-OAHLLOKOSA-N 1 2 341.390 2.079 20 30 EEEDLO CN1CC[N@@H+](C)C[C@@H]1c1noc(C2(c3cc(F)cc(C#N)c3)CC2)n1 ZINC000350052895 312313977 /nfs/dbraw/zinc/31/39/77/312313977.db2.gz SOYLDLFQWUUYJQ-OAHLLOKOSA-N 1 2 341.390 2.079 20 30 EEEDLO C[C@H](CC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)n1cc[nH+]c1 ZINC000565662378 319202327 /nfs/dbraw/zinc/20/23/27/319202327.db2.gz VWASMMWYYIOCQT-CQSZACIVSA-N 1 2 341.390 2.194 20 30 EEEDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1ccc(C#N)cn1 ZINC000581832631 324325588 /nfs/dbraw/zinc/32/55/88/324325588.db2.gz OHGGBURBGBXTSG-UHFFFAOYSA-N 1 2 328.441 2.462 20 30 EEEDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1ccc(C#N)cn1 ZINC000581832631 324325592 /nfs/dbraw/zinc/32/55/92/324325592.db2.gz OHGGBURBGBXTSG-UHFFFAOYSA-N 1 2 328.441 2.462 20 30 EEEDLO CCOC(=O)c1coc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000354632801 465065851 /nfs/dbraw/zinc/06/58/51/465065851.db2.gz NDZYFGVTOZALHK-UHFFFAOYSA-N 1 2 340.383 2.045 20 30 EEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1csc([C@H]2CCCO2)n1 ZINC000328798121 465131800 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Cc1nc(CC(N)=[NH+]OCC(=O)N(C)Cc2cccs2)cs1 ZINC000063456800 462646825 /nfs/dbraw/zinc/64/68/25/462646825.db2.gz NLYQZBCHOQHRJB-UHFFFAOYSA-N 1 2 338.458 2.003 20 30 EEEDLO COc1ccc([C@H](NC(=O)c2ccc(C#N)[nH]2)c2[nH+]ccn2C)cc1 ZINC000153870513 462703736 /nfs/dbraw/zinc/70/37/36/462703736.db2.gz NEWCQBVAGVFELH-INIZCTEOSA-N 1 2 335.367 2.148 20 30 EEEDLO C#CC[N@@H+](CC(=O)Nc1ccc(S(C)(=O)=O)cc1)C1CCCCC1 ZINC000065960399 462843192 /nfs/dbraw/zinc/84/31/92/462843192.db2.gz GTZYLSAGMUREIR-UHFFFAOYSA-N 1 2 348.468 2.297 20 30 EEEDLO C#CC[N@H+](CC(=O)Nc1ccc(S(C)(=O)=O)cc1)C1CCCCC1 ZINC000065960399 462843196 /nfs/dbraw/zinc/84/31/96/462843196.db2.gz GTZYLSAGMUREIR-UHFFFAOYSA-N 1 2 348.468 2.297 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCC(F)(F)F)CC2)cc1 ZINC000076781994 462909840 /nfs/dbraw/zinc/90/98/40/462909840.db2.gz VUQNWUILXAXBHE-UHFFFAOYSA-N 1 2 340.349 2.338 20 30 EEEDLO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000119619798 462916814 /nfs/dbraw/zinc/91/68/14/462916814.db2.gz 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COC(=O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000079500508 463221781 /nfs/dbraw/zinc/22/17/81/463221781.db2.gz HBBYTXQXJVRBEQ-UHFFFAOYSA-N 1 2 347.440 2.074 20 30 EEEDLO COC(=O)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000079500508 463221784 /nfs/dbraw/zinc/22/17/84/463221784.db2.gz HBBYTXQXJVRBEQ-UHFFFAOYSA-N 1 2 347.440 2.074 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000054362774 463230644 /nfs/dbraw/zinc/23/06/44/463230644.db2.gz ZWEFNGMIXSFHPD-UHFFFAOYSA-N 1 2 349.500 2.321 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000054362774 463230647 /nfs/dbraw/zinc/23/06/47/463230647.db2.gz ZWEFNGMIXSFHPD-UHFFFAOYSA-N 1 2 349.500 2.321 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cccc(S(=O)(=O)C(C)C)c1 ZINC000491316868 468348223 /nfs/dbraw/zinc/34/82/23/468348223.db2.gz YDQBTUYPVRTWLY-MRXNPFEDSA-N 1 2 349.452 2.123 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cccc(S(=O)(=O)C(C)C)c1 ZINC000491316868 468348227 /nfs/dbraw/zinc/34/82/27/468348227.db2.gz YDQBTUYPVRTWLY-MRXNPFEDSA-N 1 2 349.452 2.123 20 30 EEEDLO C=C(C)COCCNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000137158200 463279834 /nfs/dbraw/zinc/27/98/34/463279834.db2.gz YPWLHBWDAZEBPZ-UHFFFAOYSA-N 1 2 333.432 2.233 20 30 EEEDLO C[C@@H](O)C[N@@H+]1CCN(c2ccc(C#N)cc2Br)C[C@@H]1C ZINC000123648656 463357945 /nfs/dbraw/zinc/35/79/45/463357945.db2.gz UHBFWFGUCSQWKV-NWDGAFQWSA-N 1 2 338.249 2.212 20 30 EEEDLO C[C@@H](O)C[N@H+]1CCN(c2ccc(C#N)cc2Br)C[C@@H]1C ZINC000123648656 463357948 /nfs/dbraw/zinc/35/79/48/463357948.db2.gz UHBFWFGUCSQWKV-NWDGAFQWSA-N 1 2 338.249 2.212 20 30 EEEDLO COc1ccc([C@H](NC(=O)c2ccc(C#N)cn2)c2[nH+]ccn2C)cc1 ZINC000522111114 468355797 /nfs/dbraw/zinc/35/57/97/468355797.db2.gz JSBSKKTYXVZFQW-KRWDZBQOSA-N 1 2 347.378 2.215 20 30 EEEDLO Cc1nc(SCC(=O)N[C@@H](C)Cn2cc[nH+]c2)c(C#N)c(C)c1C ZINC000058296582 463572372 /nfs/dbraw/zinc/57/23/72/463572372.db2.gz ZYTFWLDSXNELMT-NSHDSACASA-N 1 2 343.456 2.372 20 30 EEEDLO C[C@H](CC(=O)NC1(C#N)CC[NH+](C)CC1)C(=O)c1cccc(F)c1 ZINC000073454978 463614147 /nfs/dbraw/zinc/61/41/47/463614147.db2.gz CGYQDVNKPLQHLS-CYBMUJFWSA-N 1 2 331.391 2.139 20 30 EEEDLO N#CC1(CS(=O)(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC000164706601 463631102 /nfs/dbraw/zinc/63/11/02/463631102.db2.gz WIUREFMWLIQIRT-UHFFFAOYSA-N 1 2 348.472 2.185 20 30 EEEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2nc(C)ns2)CC1 ZINC000126704000 463658193 /nfs/dbraw/zinc/65/81/93/463658193.db2.gz FGIOPHBJCKYWIJ-UHFFFAOYSA-N 1 2 329.429 2.049 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](CC(=O)NCC(F)(F)C(F)F)C(F)(F)F ZINC000553556062 468371920 /nfs/dbraw/zinc/37/19/20/468371920.db2.gz FVVFXVKOOGCDQD-ZCFIWIBFSA-N 1 2 335.223 2.473 20 30 EEEDLO CC(C)N1CCC[C@H]([NH+]2CCN(c3ccc(C#N)cc3F)CC2)C1=O ZINC000177699904 463769208 /nfs/dbraw/zinc/76/92/08/463769208.db2.gz KIORFEBYHJWLEX-SFHVURJKSA-N 1 2 344.434 2.219 20 30 EEEDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1nc(Cc2ccccc2)no1 ZINC000185401488 463816191 /nfs/dbraw/zinc/81/61/91/463816191.db2.gz KIGYSFUICKPKPZ-KGLIPLIRSA-N 1 2 341.415 2.072 20 30 EEEDLO Cc1ncsc1C[N@@H+](C)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000171756253 463920363 /nfs/dbraw/zinc/92/03/63/463920363.db2.gz RKLQHECOCHGVID-CQSZACIVSA-N 1 2 340.408 2.087 20 30 EEEDLO Cc1ncsc1C[N@H+](C)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000171756253 463920369 /nfs/dbraw/zinc/92/03/69/463920369.db2.gz RKLQHECOCHGVID-CQSZACIVSA-N 1 2 340.408 2.087 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186096594 463935880 /nfs/dbraw/zinc/93/58/80/463935880.db2.gz NLFVXJXLOLAHID-GOSISDBHSA-N 1 2 329.444 2.082 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186096594 463935883 /nfs/dbraw/zinc/93/58/83/463935883.db2.gz NLFVXJXLOLAHID-GOSISDBHSA-N 1 2 329.444 2.082 20 30 EEEDLO CCOC1CC(CNc2ccc(C#N)cc2F)([NH+]2CCOCC2)C1 ZINC000278100758 463955373 /nfs/dbraw/zinc/95/53/73/463955373.db2.gz WMBMNSLPAWSAEY-UHFFFAOYSA-N 1 2 333.407 2.379 20 30 EEEDLO CC(C)(C)[C@@H](NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1)c1cccs1 ZINC000283759626 463998908 /nfs/dbraw/zinc/99/89/08/463998908.db2.gz ATLYZIGFYYFRMC-FZMZJTMJSA-N 1 2 339.461 2.419 20 30 EEEDLO CC(C)OCc1nc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)no1 ZINC000289835165 464097645 /nfs/dbraw/zinc/09/76/45/464097645.db2.gz JWBKATANCIFOLL-DOMZBBRYSA-N 1 2 330.388 2.250 20 30 EEEDLO COCc1cc(NCCn2cnc(C#N)n2)c2cc(F)ccc2[nH+]1 ZINC000291235250 464148731 /nfs/dbraw/zinc/14/87/31/464148731.db2.gz XAZIEMGOHZXHIZ-UHFFFAOYSA-N 1 2 326.335 2.096 20 30 EEEDLO C[C@@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccccc1F ZINC000263826701 464206119 /nfs/dbraw/zinc/20/61/19/464206119.db2.gz PUSMRMHBHRXKTA-INIZCTEOSA-N 1 2 347.434 2.394 20 30 EEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000280708687 464237478 /nfs/dbraw/zinc/23/74/78/464237478.db2.gz BCEZTVKKBQRUHW-QAPCUYQASA-N 1 2 329.448 2.238 20 30 EEEDLO C#C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)C(C)C ZINC000280988684 464289654 /nfs/dbraw/zinc/28/96/54/464289654.db2.gz IXRZOQXCFLBMSB-OLZOCXBDSA-N 1 2 327.197 2.362 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000284682904 464292061 /nfs/dbraw/zinc/29/20/61/464292061.db2.gz XJLWJRAOWKGUFJ-CRAIPNDOSA-N 1 2 344.459 2.287 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000280996706 464292605 /nfs/dbraw/zinc/29/26/05/464292605.db2.gz NMXJUZUCNBSNLR-PBHICJAKSA-N 1 2 328.416 2.423 20 30 EEEDLO C=C(C)COc1cc(C[NH2+]Cc2nnc3n2CCC3)ccc1OC ZINC000237280373 464295850 /nfs/dbraw/zinc/29/58/50/464295850.db2.gz BGNRLYGEAUGJDG-UHFFFAOYSA-N 1 2 328.416 2.478 20 30 EEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@H](C)C(=O)NCc1ccccc1F ZINC000174224109 464379591 /nfs/dbraw/zinc/37/95/91/464379591.db2.gz VQIFJNFGRLETKL-QWHCGFSZSA-N 1 2 339.411 2.180 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1=O ZINC000281256666 464389769 /nfs/dbraw/zinc/38/97/69/464389769.db2.gz HERJWSJGDWXPTR-JKSUJKDBSA-N 1 2 347.846 2.164 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1=O ZINC000281256666 464389771 /nfs/dbraw/zinc/38/97/71/464389771.db2.gz HERJWSJGDWXPTR-JKSUJKDBSA-N 1 2 347.846 2.164 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2c2nc(C(=O)OC)c(C)s2)C1=O ZINC000281294552 464403312 /nfs/dbraw/zinc/40/33/12/464403312.db2.gz JLGVCUBIXYWMFH-CHWSQXEVSA-N 1 2 349.456 2.162 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2nc(C(=O)OC)c(C)s2)C1=O ZINC000281294552 464403316 /nfs/dbraw/zinc/40/33/16/464403316.db2.gz JLGVCUBIXYWMFH-CHWSQXEVSA-N 1 2 349.456 2.162 20 30 EEEDLO CC(C)[C@@H](C)NC(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000174572663 464424373 /nfs/dbraw/zinc/42/43/73/464424373.db2.gz FVJQPXCBMBUCMU-SJLPKXTDSA-N 1 2 328.460 2.030 20 30 EEEDLO CC(C)(CCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N+](=O)[O-] ZINC000294469438 464509337 /nfs/dbraw/zinc/50/93/37/464509337.db2.gz UWZGJSJUFDALCW-UHFFFAOYSA-N 1 2 344.415 2.038 20 30 EEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000281673318 464542848 /nfs/dbraw/zinc/54/28/48/464542848.db2.gz ODPSGENHYDXZOY-HNNXBMFYSA-N 1 2 345.428 2.086 20 30 EEEDLO N#C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000248356631 464744426 /nfs/dbraw/zinc/74/44/26/464744426.db2.gz ONOXWXSDVRJAKF-RTBURBONSA-N 1 2 341.455 2.476 20 30 EEEDLO N#C[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000248356631 464744433 /nfs/dbraw/zinc/74/44/33/464744433.db2.gz ONOXWXSDVRJAKF-RTBURBONSA-N 1 2 341.455 2.476 20 30 EEEDLO CC1(C)[C@@H]2C[N@@H+](CC(=O)[C@@H](C#N)c3nc4ccccc4c(=O)[nH]3)C[C@@H]21 ZINC000266000079 464760296 /nfs/dbraw/zinc/76/02/96/464760296.db2.gz IXNRNURVJLHDCS-MCIONIFRSA-N 1 2 336.395 2.099 20 30 EEEDLO CC1(C)[C@@H]2C[N@H+](CC(=O)[C@@H](C#N)c3nc4ccccc4c(=O)[nH]3)C[C@@H]21 ZINC000266000079 464760303 /nfs/dbraw/zinc/76/03/03/464760303.db2.gz IXNRNURVJLHDCS-MCIONIFRSA-N 1 2 336.395 2.099 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)[C@@H](C(N)=O)C1 ZINC000248989175 464827746 /nfs/dbraw/zinc/82/77/46/464827746.db2.gz GWYYUWXWCOTFKN-QMTHXVAHSA-N 1 2 336.233 2.407 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)[C@@H](C(N)=O)C1 ZINC000248989175 464827751 /nfs/dbraw/zinc/82/77/51/464827751.db2.gz GWYYUWXWCOTFKN-QMTHXVAHSA-N 1 2 336.233 2.407 20 30 EEEDLO COc1cc(C)ccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000176911977 464884086 /nfs/dbraw/zinc/88/40/86/464884086.db2.gz KCDVWDNRTLCPNU-UHFFFAOYSA-N 1 2 346.431 2.083 20 30 EEEDLO N#CCCN(CC(=O)N1CC[NH+](Cc2cccs2)CC1)CC1CC1 ZINC000177029312 464911533 /nfs/dbraw/zinc/91/15/33/464911533.db2.gz BINVQGILEVLXMB-UHFFFAOYSA-N 1 2 346.500 2.018 20 30 EEEDLO C[C@@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000183837178 464916462 /nfs/dbraw/zinc/91/64/62/464916462.db2.gz ILIXAITZTZHCON-AWEZNQCLSA-N 1 2 341.502 2.450 20 30 EEEDLO Cc1nc(CN2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)no1 ZINC000177164987 464947929 /nfs/dbraw/zinc/94/79/29/464947929.db2.gz GUOSOEUWBHXSTR-UHFFFAOYSA-N 1 2 330.819 2.201 20 30 EEEDLO CCS(=O)(=O)CCCCCO[NH+]=C(N)COc1cccc(F)c1 ZINC000276644974 465013716 /nfs/dbraw/zinc/01/37/16/465013716.db2.gz WZAMKXSIPNWAES-UHFFFAOYSA-N 1 2 346.424 2.098 20 30 EEEDLO C[C@H]([C@H](C)NC(=O)Nc1cnc2c(c1)CCCC2)[NH+]1CCOCC1 ZINC000329439738 465333819 /nfs/dbraw/zinc/33/38/19/465333819.db2.gz JUOLOLQRFCWIEO-UONOGXRCSA-N 1 2 332.448 2.396 20 30 EEEDLO Cc1noc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)n1 ZINC000348106232 465426455 /nfs/dbraw/zinc/42/64/55/465426455.db2.gz GKJIYUZZVRGBSO-OLZOCXBDSA-N 1 2 327.388 2.364 20 30 EEEDLO N#Cc1cccc(NC(=O)C[NH2+][C@@H](CO)c2c(F)cccc2F)c1 ZINC000359518891 465426827 /nfs/dbraw/zinc/42/68/27/465426827.db2.gz CMUGQLXCPWQMBZ-HNNXBMFYSA-N 1 2 331.322 2.098 20 30 EEEDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000329896202 465466711 /nfs/dbraw/zinc/46/67/11/465466711.db2.gz CIQJZUXMOAIBTL-ZBFHGGJFSA-N 1 2 333.480 2.386 20 30 EEEDLO C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000329896202 465466718 /nfs/dbraw/zinc/46/67/18/465466718.db2.gz CIQJZUXMOAIBTL-ZBFHGGJFSA-N 1 2 333.480 2.386 20 30 EEEDLO Cc1cc(C[C@H](C)NC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)n[nH]1 ZINC000330021706 465508805 /nfs/dbraw/zinc/50/88/05/465508805.db2.gz YHAWTHKIFSQOKI-JTQLQIEISA-N 1 2 341.419 2.190 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000352325513 465516591 /nfs/dbraw/zinc/51/65/91/465516591.db2.gz SZBWMHQZIYEISM-FUHWJXTLSA-N 1 2 343.471 2.363 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000352325513 465516593 /nfs/dbraw/zinc/51/65/93/465516593.db2.gz SZBWMHQZIYEISM-FUHWJXTLSA-N 1 2 343.471 2.363 20 30 EEEDLO CCCN(CCC)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000337694028 465522564 /nfs/dbraw/zinc/52/25/64/465522564.db2.gz RBSJYEHJWBLMLZ-UHFFFAOYSA-N 1 2 346.450 2.468 20 30 EEEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348305374 465542047 /nfs/dbraw/zinc/54/20/47/465542047.db2.gz JXLYJWKFOSEFGC-PBHICJAKSA-N 1 2 348.878 2.437 20 30 EEEDLO C[N@H+](C[C@@H]1OCCc2ccccc21)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360293063 465553730 /nfs/dbraw/zinc/55/37/30/465553730.db2.gz PDGVRUXQRDVPHP-OALUTQOASA-N 1 2 335.407 2.330 20 30 EEEDLO C[N@@H+](C[C@@H]1OCCc2ccccc21)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360293063 465553734 /nfs/dbraw/zinc/55/37/34/465553734.db2.gz PDGVRUXQRDVPHP-OALUTQOASA-N 1 2 335.407 2.330 20 30 EEEDLO Cc1c([C@H]2OCC[C@@H]2NC(=O)c2ccc3[nH+]ccn3c2)cnn1C ZINC000330268661 465591376 /nfs/dbraw/zinc/59/13/76/465591376.db2.gz IURICFGZVVSWFD-GOEBONIOSA-N 1 2 325.372 2.211 20 30 EEEDLO Cc1ccc([C@H](NC(=O)C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)C2CC2)cc1 ZINC000330280377 465596294 /nfs/dbraw/zinc/59/62/94/465596294.db2.gz SIDKEOGRWZFBBU-AEFFLSMTSA-N 1 2 342.443 2.316 20 30 EEEDLO Cc1ccc([C@H](NC(=O)C[N@H+]2CCN3C(=O)NC[C@@H]3C2)C2CC2)cc1 ZINC000330280377 465596304 /nfs/dbraw/zinc/59/63/04/465596304.db2.gz SIDKEOGRWZFBBU-AEFFLSMTSA-N 1 2 342.443 2.316 20 30 EEEDLO C=CCSCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000299325573 465697760 /nfs/dbraw/zinc/69/77/60/465697760.db2.gz OFFHKPBYVWKCOM-UHFFFAOYSA-N 1 2 344.484 2.305 20 30 EEEDLO CNC(=O)c1cccc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)c1C ZINC000330794448 465807022 /nfs/dbraw/zinc/80/70/22/465807022.db2.gz DNYAMOXPLLUIBN-UHFFFAOYSA-N 1 2 348.447 2.366 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3ccnc(C#N)c3)CC2)cc1F ZINC000299620140 465827831 /nfs/dbraw/zinc/82/78/31/465827831.db2.gz HNSFRQQYHDBJDM-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO COC(=O)[C@H]1CCCCC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000371577775 465885082 /nfs/dbraw/zinc/88/50/82/465885082.db2.gz AAXDCVNDGCVYOO-OAHLLOKOSA-N 1 2 335.448 2.089 20 30 EEEDLO COC(=O)[C@H]1CCCCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000371577775 465885086 /nfs/dbraw/zinc/88/50/86/465885086.db2.gz AAXDCVNDGCVYOO-OAHLLOKOSA-N 1 2 335.448 2.089 20 30 EEEDLO Cc1cccc(S(=O)(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1C#N ZINC000366771016 465925714 /nfs/dbraw/zinc/92/57/14/465925714.db2.gz YHCDLDGBRPGSRI-QGZVFWFLSA-N 1 2 341.436 2.332 20 30 EEEDLO Cc1cccc(S(=O)(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1C#N ZINC000366771016 465925720 /nfs/dbraw/zinc/92/57/20/465925720.db2.gz YHCDLDGBRPGSRI-QGZVFWFLSA-N 1 2 341.436 2.332 20 30 EEEDLO CC[NH+]1CCN(CCNC(=O)c2cc(F)cc(Cl)c2O)CC1 ZINC000331244612 465994946 /nfs/dbraw/zinc/99/49/46/465994946.db2.gz SUXGYYHJKBOZSA-UHFFFAOYSA-N 1 2 329.803 2.127 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000366931359 466023039 /nfs/dbraw/zinc/02/30/39/466023039.db2.gz DPJLGKVTXQJWDS-YFHUEUNASA-N 1 2 329.444 2.251 20 30 EEEDLO C[C@@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)c1ccc(C#N)cc1 ZINC000338361403 466060031 /nfs/dbraw/zinc/06/00/31/466060031.db2.gz SHGZWGWTMMIPMG-GFCCVEGCSA-N 1 2 340.408 2.231 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000362976279 466156981 /nfs/dbraw/zinc/15/69/81/466156981.db2.gz JRWMMMRLJLSZBN-HNNXBMFYSA-N 1 2 341.436 2.251 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000362976279 466156988 /nfs/dbraw/zinc/15/69/88/466156988.db2.gz JRWMMMRLJLSZBN-HNNXBMFYSA-N 1 2 341.436 2.251 20 30 EEEDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)NCc1cccc(C#N)c1)CCO2 ZINC000367584698 466429670 /nfs/dbraw/zinc/42/96/70/466429670.db2.gz KLSRCVMFWCLLAR-UHFFFAOYSA-N 1 2 335.407 2.378 20 30 EEEDLO Cc1ccc2c(c1)C[N@H+](CC(=O)NCc1cccc(C#N)c1)CCO2 ZINC000367584698 466429674 /nfs/dbraw/zinc/42/96/74/466429674.db2.gz KLSRCVMFWCLLAR-UHFFFAOYSA-N 1 2 335.407 2.378 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000332304982 466500146 /nfs/dbraw/zinc/50/01/46/466500146.db2.gz QWHAEHPKAJFOSP-INMHGKMJSA-N 1 2 327.432 2.162 20 30 EEEDLO COc1cc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)ccn1 ZINC000332480609 466542447 /nfs/dbraw/zinc/54/24/47/466542447.db2.gz YDMHYOHRHZVBBL-UHFFFAOYSA-N 1 2 329.429 2.049 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2ccc(C#N)cc2)CC1(C)C ZINC000333043721 466602052 /nfs/dbraw/zinc/60/20/52/466602052.db2.gz FLVDBKMXZNGTPB-AWEZNQCLSA-N 1 2 330.413 2.064 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)C1=O ZINC000369068994 466713291 /nfs/dbraw/zinc/71/32/91/466713291.db2.gz ZZZPEPSZHQFDGH-OWCLPIDISA-N 1 2 349.475 2.247 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)C1=O ZINC000369068994 466713295 /nfs/dbraw/zinc/71/32/95/466713295.db2.gz ZZZPEPSZHQFDGH-OWCLPIDISA-N 1 2 349.475 2.247 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375759374 466873620 /nfs/dbraw/zinc/87/36/20/466873620.db2.gz CFYLJVGPRZGLJR-OLZOCXBDSA-N 1 2 347.253 2.265 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375759374 466873625 /nfs/dbraw/zinc/87/36/25/466873625.db2.gz CFYLJVGPRZGLJR-OLZOCXBDSA-N 1 2 347.253 2.265 20 30 EEEDLO COC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000411614017 466856074 /nfs/dbraw/zinc/85/60/74/466856074.db2.gz OLRLUSHEMRFBEV-HNNXBMFYSA-N 1 2 335.791 2.081 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000373878616 466952928 /nfs/dbraw/zinc/95/29/28/466952928.db2.gz CIOJIINEYOOREH-UHOSZYNNSA-N 1 2 344.455 2.079 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000373878616 466952932 /nfs/dbraw/zinc/95/29/32/466952932.db2.gz CIOJIINEYOOREH-UHOSZYNNSA-N 1 2 344.455 2.079 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC000412065095 466991982 /nfs/dbraw/zinc/99/19/82/466991982.db2.gz KGYHSFLFIYBAAW-CRAIPNDOSA-N 1 2 330.384 2.047 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC000412065095 466991986 /nfs/dbraw/zinc/99/19/86/466991986.db2.gz KGYHSFLFIYBAAW-CRAIPNDOSA-N 1 2 330.384 2.047 20 30 EEEDLO COC(=O)c1ccc(CCNc2cc(C)[nH+]cc2C#N)c(OC)c1 ZINC000425255731 467090519 /nfs/dbraw/zinc/09/05/19/467090519.db2.gz ABPZGALMEXEWTP-UHFFFAOYSA-N 1 2 325.368 2.133 20 30 EEEDLO N#C[C@H]1CC[C@@H](NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000425404509 467093203 /nfs/dbraw/zinc/09/32/03/467093203.db2.gz WQYFNNWUVIENOB-CGTJXYLNSA-N 1 2 342.443 2.051 20 30 EEEDLO C[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(F)c3)c2C1 ZINC000427775913 467177471 /nfs/dbraw/zinc/17/74/71/467177471.db2.gz CYGVEJXWSXZRTH-UHFFFAOYSA-N 1 2 331.372 2.444 20 30 EEEDLO C[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(F)c3)c2C1 ZINC000427775913 467177473 /nfs/dbraw/zinc/17/74/73/467177473.db2.gz CYGVEJXWSXZRTH-UHFFFAOYSA-N 1 2 331.372 2.444 20 30 EEEDLO N#CCC1(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)CC1 ZINC000429792347 467371095 /nfs/dbraw/zinc/37/10/95/467371095.db2.gz JUVPIBKXWNGWLY-GFCCVEGCSA-N 1 2 340.196 2.398 20 30 EEEDLO CCn1c(SC[C@@H](O)C[N@H+](C)CCC#N)nnc1-c1ccccc1 ZINC000414093269 467376780 /nfs/dbraw/zinc/37/67/80/467376780.db2.gz HBGWFUGYSBYUMA-HNNXBMFYSA-N 1 2 345.472 2.263 20 30 EEEDLO CCn1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccccc1 ZINC000414093269 467376783 /nfs/dbraw/zinc/37/67/83/467376783.db2.gz HBGWFUGYSBYUMA-HNNXBMFYSA-N 1 2 345.472 2.263 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccccc1Oc1ccccn1 ZINC000414140248 467382045 /nfs/dbraw/zinc/38/20/45/467382045.db2.gz LIVMKZCWPDFLSJ-HNNXBMFYSA-N 1 2 327.384 2.459 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccccc1Oc1ccccn1 ZINC000414140248 467382048 /nfs/dbraw/zinc/38/20/48/467382048.db2.gz LIVMKZCWPDFLSJ-HNNXBMFYSA-N 1 2 327.384 2.459 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccccc1OCC(F)(F)F ZINC000414151672 467384116 /nfs/dbraw/zinc/38/41/16/467384116.db2.gz WJDMBWKBHXCACA-GFCCVEGCSA-N 1 2 332.322 2.213 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1OCC(F)(F)F ZINC000414151672 467384118 /nfs/dbraw/zinc/38/41/18/467384118.db2.gz WJDMBWKBHXCACA-GFCCVEGCSA-N 1 2 332.322 2.213 20 30 EEEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000407990272 467491024 /nfs/dbraw/zinc/49/10/24/467491024.db2.gz MVYQARPPQHXCRA-NWDGAFQWSA-N 1 2 334.401 2.106 20 30 EEEDLO C[C@H]([C@H](C)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F)S(C)(=O)=O ZINC000437158033 467555779 /nfs/dbraw/zinc/55/57/79/467555779.db2.gz WMMXMKSDKLMNIG-WDEREUQCSA-N 1 2 346.399 2.413 20 30 EEEDLO C[C@H]([C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F)S(C)(=O)=O ZINC000437158033 467555780 /nfs/dbraw/zinc/55/57/80/467555780.db2.gz WMMXMKSDKLMNIG-WDEREUQCSA-N 1 2 346.399 2.413 20 30 EEEDLO C=C(C)[C@H]([NH2+]Cc1cn(CC(=O)OC)nn1)c1ccc(F)c(F)c1 ZINC000449247357 467625585 /nfs/dbraw/zinc/62/55/85/467625585.db2.gz FPMUUZBSENPOCQ-INIZCTEOSA-N 1 2 336.342 2.136 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000457586282 467656883 /nfs/dbraw/zinc/65/68/83/467656883.db2.gz TVGLGTWORPQVMR-HZPDHXFCSA-N 1 2 346.406 2.275 20 30 EEEDLO C=CCOc1ccc(/C=C\C(=O)NCCc2c[nH+]cn2C)cc1OC ZINC000492512476 467659292 /nfs/dbraw/zinc/65/92/92/467659292.db2.gz YGRFLGHMTURGMY-VURMDHGXSA-N 1 2 341.411 2.366 20 30 EEEDLO CCC(C)(C)OCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000457392870 467813961 /nfs/dbraw/zinc/81/39/61/467813961.db2.gz ROTUZPOFLBDSJA-UHFFFAOYSA-N 1 2 329.444 2.408 20 30 EEEDLO Cc1nc(N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)ccc1C#N ZINC000487721951 468051170 /nfs/dbraw/zinc/05/11/70/468051170.db2.gz KYRISMNBLJYRFO-SFHVURJKSA-N 1 2 330.432 2.162 20 30 EEEDLO COc1ccc(OC(F)(F)F)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000575128077 468137218 /nfs/dbraw/zinc/13/72/18/468137218.db2.gz ZRWDHCGVGIFCPW-AWEZNQCLSA-N 1 2 345.321 2.167 20 30 EEEDLO C[C@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[NH+]1CC(C)C1 ZINC000576290732 468163563 /nfs/dbraw/zinc/16/35/63/468163563.db2.gz OFNKVYPRABIZJG-GFCCVEGCSA-N 1 2 343.818 2.676 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1cccc(OC(C)(C)C)n1 ZINC000567239084 468167028 /nfs/dbraw/zinc/16/70/28/468167028.db2.gz JFCBTTSAOTVEFI-GOSISDBHSA-N 1 2 332.448 2.152 20 30 EEEDLO C[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(CC#N)c3)c2C1 ZINC000589977443 468200321 /nfs/dbraw/zinc/20/03/21/468200321.db2.gz XFEGQHDOFZPTGT-UHFFFAOYSA-N 1 2 327.409 2.499 20 30 EEEDLO C[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc(CC#N)c3)c2C1 ZINC000589977443 468200328 /nfs/dbraw/zinc/20/03/28/468200328.db2.gz XFEGQHDOFZPTGT-UHFFFAOYSA-N 1 2 327.409 2.499 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C\c3cccnc3)CC2)cc1 ZINC000490605881 468224945 /nfs/dbraw/zinc/22/49/45/468224945.db2.gz MJTBIRCMXUQCGP-FPLPWBNLSA-N 1 2 332.407 2.311 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000567995391 468252511 /nfs/dbraw/zinc/25/25/11/468252511.db2.gz JBEPNCYORZHQTJ-OAHLLOKOSA-N 1 2 343.349 2.130 20 30 EEEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)n2)c1 ZINC000551772251 468253602 /nfs/dbraw/zinc/25/36/02/468253602.db2.gz PUFUFIQXDRFMEW-OAHLLOKOSA-N 1 2 346.394 2.024 20 30 EEEDLO C=CCCOCC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000590467472 468262084 /nfs/dbraw/zinc/26/20/84/468262084.db2.gz OASAJKCXDOIWCR-GOSISDBHSA-N 1 2 346.471 2.329 20 30 EEEDLO COC(=O)[C@@H]([NH+]1CCC(C#N)(c2ccccn2)CC1)C1(OC)CCC1 ZINC000569566787 468510915 /nfs/dbraw/zinc/51/09/15/468510915.db2.gz HPFJRDIALPJNCO-MRXNPFEDSA-N 1 2 343.427 2.049 20 30 EEEDLO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2nccc(C(F)F)n2)cc1 ZINC000591767258 468518399 /nfs/dbraw/zinc/51/83/99/468518399.db2.gz BIXASNVSSDRVKE-CYBMUJFWSA-N 1 2 348.353 2.010 20 30 EEEDLO CCc1nc2ccccc2c(SC[C@@H](O)C[N@H+](C)CCC#N)n1 ZINC000594570717 468624088 /nfs/dbraw/zinc/62/40/88/468624088.db2.gz XYQNHVFYXRBRPD-ZDUSSCGKSA-N 1 2 330.457 2.491 20 30 EEEDLO CCc1nc2ccccc2c(SC[C@@H](O)C[N@@H+](C)CCC#N)n1 ZINC000594570717 468624094 /nfs/dbraw/zinc/62/40/94/468624094.db2.gz XYQNHVFYXRBRPD-ZDUSSCGKSA-N 1 2 330.457 2.491 20 30 EEEDLO CC[C@@H](NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccc(Cl)cc1 ZINC000592146077 468636701 /nfs/dbraw/zinc/63/67/01/468636701.db2.gz COGFEJRJMNKDHZ-WBVHZDCISA-N 1 2 335.835 2.258 20 30 EEEDLO CC[C@@H](NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccc(Cl)cc1 ZINC000592146077 468636705 /nfs/dbraw/zinc/63/67/05/468636705.db2.gz COGFEJRJMNKDHZ-WBVHZDCISA-N 1 2 335.835 2.258 20 30 EEEDLO COc1ccc2c(c1)OCC[N@@H+](Cc1cnc3c(C#N)cnn3c1)C2 ZINC000592509881 468716329 /nfs/dbraw/zinc/71/63/29/468716329.db2.gz JMMWPRJLTUPKKZ-UHFFFAOYSA-N 1 2 335.367 2.004 20 30 EEEDLO COc1ccc2c(c1)OCC[N@H+](Cc1cnc3c(C#N)cnn3c1)C2 ZINC000592509881 468716333 /nfs/dbraw/zinc/71/63/33/468716333.db2.gz JMMWPRJLTUPKKZ-UHFFFAOYSA-N 1 2 335.367 2.004 20 30 EEEDLO N#Cc1cccnc1NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601178699 468772743 /nfs/dbraw/zinc/77/27/43/468772743.db2.gz XCLMFHUOFJJLOC-UHFFFAOYSA-N 1 2 340.452 2.130 20 30 EEEDLO COC(=O)[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)[C@@H]1CCC[C@@H](OC)C1 ZINC000572008335 468871754 /nfs/dbraw/zinc/87/17/54/468871754.db2.gz UZLBMIZCIRAPGH-QGPMSJSTSA-N 1 2 346.427 2.403 20 30 EEEDLO C=CCCSCCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000595722546 468969603 /nfs/dbraw/zinc/96/96/03/468969603.db2.gz BRECKBDFCXBDHI-UHFFFAOYSA-N 1 2 334.489 2.218 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1C#N ZINC000595728773 468972566 /nfs/dbraw/zinc/97/25/66/468972566.db2.gz OUHGRWLGJMVIFM-CRAIPNDOSA-N 1 2 349.438 2.153 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1C#N ZINC000595728773 468972571 /nfs/dbraw/zinc/97/25/71/468972571.db2.gz OUHGRWLGJMVIFM-CRAIPNDOSA-N 1 2 349.438 2.153 20 30 EEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C(=O)OC)n1C ZINC000602664148 468997675 /nfs/dbraw/zinc/99/76/75/468997675.db2.gz TUVRJZZPNFRKGT-UHFFFAOYSA-N 1 2 332.400 2.475 20 30 EEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C(=O)OC)n1C ZINC000602664148 468997681 /nfs/dbraw/zinc/99/76/81/468997681.db2.gz TUVRJZZPNFRKGT-UHFFFAOYSA-N 1 2 332.400 2.475 20 30 EEEDLO Cc1noc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)n1 ZINC000586788690 469066761 /nfs/dbraw/zinc/06/67/61/469066761.db2.gz JZTUQFLPCIQRGM-RDJZCZTQSA-N 1 2 342.399 2.021 20 30 EEEDLO Cc1noc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccc(CC#N)cc2)n1 ZINC000586788690 469066767 /nfs/dbraw/zinc/06/67/67/469066767.db2.gz JZTUQFLPCIQRGM-RDJZCZTQSA-N 1 2 342.399 2.021 20 30 EEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 ZINC000573383796 469121116 /nfs/dbraw/zinc/12/11/16/469121116.db2.gz HNEKLNLZFSDEDQ-CYBMUJFWSA-N 1 2 340.383 2.306 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC#N)c1ccc2c(c1)OCCO2 ZINC000573383796 469121121 /nfs/dbraw/zinc/12/11/21/469121121.db2.gz HNEKLNLZFSDEDQ-CYBMUJFWSA-N 1 2 340.383 2.306 20 30 EEEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000573383900 469121154 /nfs/dbraw/zinc/12/11/54/469121154.db2.gz JUPQVEVLDLBZQH-CYBMUJFWSA-N 1 2 343.349 2.482 20 30 EEEDLO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)CC#N)c1 ZINC000602860610 469125853 /nfs/dbraw/zinc/12/58/53/469125853.db2.gz CMJHGFSOGRBZAI-XJKSGUPXSA-N 1 2 331.416 2.259 20 30 EEEDLO CO[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCO1 ZINC000602900532 469152695 /nfs/dbraw/zinc/15/26/95/469152695.db2.gz ZEAGMLMSLSWEOV-INIZCTEOSA-N 1 2 349.456 2.132 20 30 EEEDLO CO[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCO1 ZINC000602900532 469152701 /nfs/dbraw/zinc/15/27/01/469152701.db2.gz ZEAGMLMSLSWEOV-INIZCTEOSA-N 1 2 349.456 2.132 20 30 EEEDLO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611176141 469183525 /nfs/dbraw/zinc/18/35/25/469183525.db2.gz XBNOVPPYDALKMJ-MRXNPFEDSA-N 1 2 346.500 2.115 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000563220180 469203736 /nfs/dbraw/zinc/20/37/36/469203736.db2.gz GVBWKLYUMZIDDS-CQSZACIVSA-N 1 2 330.215 2.332 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCc2[nH+]c[nH]c2C1 ZINC000599430567 469252661 /nfs/dbraw/zinc/25/26/61/469252661.db2.gz WKHIHQBXJXEAKF-ZDUSSCGKSA-N 1 2 341.390 2.242 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@@](F)(C#N)C1)c1ccccc1 ZINC000615531353 469255728 /nfs/dbraw/zinc/25/57/28/469255728.db2.gz KIOWHDWEOWXLIS-WMLDXEAASA-N 1 2 327.363 2.157 20 30 EEEDLO N#C[C@@]1(F)CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000615530519 469255780 /nfs/dbraw/zinc/25/57/80/469255780.db2.gz AUTKPNFDSJUANK-KRWDZBQOSA-N 1 2 327.363 2.079 20 30 EEEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1Cc1cccc(C#N)c1F ZINC000599444141 469259550 /nfs/dbraw/zinc/25/95/50/469259550.db2.gz HMWUSAIWLIKVSS-GOSISDBHSA-N 1 2 336.374 2.302 20 30 EEEDLO C[C@@H]1C[N@H+](CCNc2nc(C(F)(F)F)ccc2C#N)[C@H](C)CO1 ZINC000596428792 469263591 /nfs/dbraw/zinc/26/35/91/469263591.db2.gz HYGBFYNQVTVGLT-GHMZBOCLSA-N 1 2 328.338 2.493 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNc2nc(C(F)(F)F)ccc2C#N)[C@H](C)CO1 ZINC000596428792 469263596 /nfs/dbraw/zinc/26/35/96/469263596.db2.gz HYGBFYNQVTVGLT-GHMZBOCLSA-N 1 2 328.338 2.493 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCc1ccc2c(c1)OCCCO2 ZINC000602331129 469285250 /nfs/dbraw/zinc/28/52/50/469285250.db2.gz ABZQOMZURQENBS-IBGZPJMESA-N 1 2 345.443 2.131 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000615793946 469316934 /nfs/dbraw/zinc/31/69/34/469316934.db2.gz VPDBNRXKLDQGIV-MGPUTAFESA-N 1 2 339.439 2.111 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000615793946 469316938 /nfs/dbraw/zinc/31/69/38/469316938.db2.gz VPDBNRXKLDQGIV-MGPUTAFESA-N 1 2 339.439 2.111 20 30 EEEDLO C[C@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCO1 ZINC000596658956 469324772 /nfs/dbraw/zinc/32/47/72/469324772.db2.gz QBJHIQZKXQLJSD-APWZRJJASA-N 1 2 341.455 2.408 20 30 EEEDLO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612155155 469407144 /nfs/dbraw/zinc/40/71/44/469407144.db2.gz QPUXHNHQPAOZTJ-RDTXWAMCSA-N 1 2 328.416 2.027 20 30 EEEDLO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612155155 469407149 /nfs/dbraw/zinc/40/71/49/469407149.db2.gz QPUXHNHQPAOZTJ-RDTXWAMCSA-N 1 2 328.416 2.027 20 30 EEEDLO C[C@]1(C#N)CCCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000612163667 469409433 /nfs/dbraw/zinc/40/94/33/469409433.db2.gz YSAJXMVJLLENOQ-GOSISDBHSA-N 1 2 346.500 2.018 20 30 EEEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000604414591 469477108 /nfs/dbraw/zinc/47/71/08/469477108.db2.gz JMDYMQQGRUSSCL-FUUWLHQZSA-N 1 2 346.475 2.261 20 30 EEEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000604414591 469477112 /nfs/dbraw/zinc/47/71/12/469477112.db2.gz JMDYMQQGRUSSCL-FUUWLHQZSA-N 1 2 346.475 2.261 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000609537869 469937680 /nfs/dbraw/zinc/93/76/80/469937680.db2.gz GSZSZZKAVWFGEX-SFHVURJKSA-N 1 2 341.459 2.298 20 30 EEEDLO CC#CC[NH2+]Cc1cn(CCOc2cccc(Br)c2)nn1 ZINC000640797116 471032533 /nfs/dbraw/zinc/03/25/33/471032533.db2.gz USSIXIQEPJIJMX-UHFFFAOYSA-N 1 2 349.232 2.233 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2cscc2Br)nn1 ZINC000641128410 471215065 /nfs/dbraw/zinc/21/50/65/471215065.db2.gz OYOXHVIWWAMVJW-UHFFFAOYSA-N 1 2 325.235 2.263 20 30 EEEDLO C=CCCn1cc(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)nn1 ZINC000653538774 471656942 /nfs/dbraw/zinc/65/69/42/471656942.db2.gz GZKXHWMSTAPNBA-UHFFFAOYSA-N 1 2 343.431 2.150 20 30 EEEDLO C=CCCn1cc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)nn1 ZINC000653618372 471688887 /nfs/dbraw/zinc/68/88/87/471688887.db2.gz DHVGSTFYIXXSAO-CQSZACIVSA-N 1 2 332.370 2.380 20 30 EEEDLO C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105301603 526353742 /nfs/dbraw/zinc/35/37/42/526353742.db2.gz RUUSOMXNHUVFQD-IRXDYDNUSA-N 1 2 331.460 2.493 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1 ZINC000338999042 526770076 /nfs/dbraw/zinc/77/00/76/526770076.db2.gz AXZLJDAWSFCKLV-GOSISDBHSA-N 1 2 346.471 2.418 20 30 EEEDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](CCC#N)CCC(C)C)C1 ZINC000350114218 527830989 /nfs/dbraw/zinc/83/09/89/527830989.db2.gz KFLUSGZDOSZWSN-MRXNPFEDSA-N 1 2 337.464 2.050 20 30 EEEDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](CCC#N)CCC(C)C)C1 ZINC000350114218 527830995 /nfs/dbraw/zinc/83/09/95/527830995.db2.gz KFLUSGZDOSZWSN-MRXNPFEDSA-N 1 2 337.464 2.050 20 30 EEEDLO CC(C)c1ccc(C[NH+]2CCN(S(=O)(=O)[C@H](C)C#N)CC2)cc1 ZINC000416375634 528093008 /nfs/dbraw/zinc/09/30/08/528093008.db2.gz UFMQJORRSLFIKA-OAHLLOKOSA-N 1 2 335.473 2.169 20 30 EEEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)/C=C\c2ccc(C#N)cc2)no1 ZINC000491434783 536060398 /nfs/dbraw/zinc/06/03/98/536060398.db2.gz IRJXIZKOMSKLSE-KTKRTIGZSA-N 1 2 339.399 2.068 20 30 EEEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)COc1cccc(C#N)c1 ZINC000727494304 576430885 /nfs/dbraw/zinc/43/08/85/576430885.db2.gz QEINXBJAVNDHEN-MRXNPFEDSA-N 1 2 326.400 2.365 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 ZINC000732059821 577145804 /nfs/dbraw/zinc/14/58/04/577145804.db2.gz GADZBQXIWABSNZ-SFHVURJKSA-N 1 2 345.406 2.432 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 ZINC000732059821 577145805 /nfs/dbraw/zinc/14/58/05/577145805.db2.gz GADZBQXIWABSNZ-SFHVURJKSA-N 1 2 345.406 2.432 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)cn1 ZINC000734444630 577297602 /nfs/dbraw/zinc/29/76/02/577297602.db2.gz QLRHOLPGMDPPDX-INIZCTEOSA-N 1 2 329.350 2.374 20 30 EEEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)Cc2[nH+]ccn2C)c1 ZINC000775435831 577437249 /nfs/dbraw/zinc/43/72/49/577437249.db2.gz OPEFUDNERRRVPJ-OAHLLOKOSA-N 1 2 341.415 2.443 20 30 EEEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)NC(C)(C)C)CC2)cc1 ZINC000775985348 577450200 /nfs/dbraw/zinc/45/02/00/577450200.db2.gz ZECONOADAXWHPD-UHFFFAOYSA-N 1 2 329.444 2.324 20 30 EEEDLO C#C[C@@H]([NH2+]Cc1cc(O)c(OC)cc1Br)[C@@H]1CCCO1 ZINC000776001660 577450456 /nfs/dbraw/zinc/45/04/56/577450456.db2.gz QLKDTROPNUHTGB-OCCSQVGLSA-N 1 2 340.217 2.434 20 30 EEEDLO C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1[nH+]ccn1C ZINC000777116707 577473528 /nfs/dbraw/zinc/47/35/28/577473528.db2.gz VWGOGNPJBLVRJS-CYBMUJFWSA-N 1 2 325.416 2.426 20 30 EEEDLO COCCCNC(=S)N[NH+]=C(C)c1ccc(F)cc1N(C)C ZINC000759186095 577638694 /nfs/dbraw/zinc/63/86/94/577638694.db2.gz WXNQXDKIZVHNRF-UHFFFAOYSA-N 1 2 326.441 2.116 20 30 EEEDLO N#CCCN1CC[NH+](C[C@H](O)c2ccccc2Br)CC1 ZINC000760942653 577672526 /nfs/dbraw/zinc/67/25/26/577672526.db2.gz BQHMOBVTAJIFPT-HNNXBMFYSA-N 1 2 338.249 2.014 20 30 EEEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000761128370 577677409 /nfs/dbraw/zinc/67/74/09/577677409.db2.gz VFTSNSNXEJXXEK-QAPCUYQASA-N 1 2 348.406 2.334 20 30 EEEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000761128370 577677410 /nfs/dbraw/zinc/67/74/10/577677410.db2.gz VFTSNSNXEJXXEK-QAPCUYQASA-N 1 2 348.406 2.334 20 30 EEEDLO CC[C@@H]1C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C[C@@H]1O ZINC000761128564 577677560 /nfs/dbraw/zinc/67/75/60/577677560.db2.gz WXHWQSJDGZZBJS-BZPMIXESSA-N 1 2 329.425 2.175 20 30 EEEDLO CC[C@@H]1C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C[C@@H]1O ZINC000761128564 577677561 /nfs/dbraw/zinc/67/75/61/577677561.db2.gz WXHWQSJDGZZBJS-BZPMIXESSA-N 1 2 329.425 2.175 20 30 EEEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1ccc(-n2cncn2)cc1 ZINC000761831722 577689738 /nfs/dbraw/zinc/68/97/38/577689738.db2.gz UEMKWTSAOHFIMN-UHFFFAOYSA-N 1 2 345.370 2.079 20 30 EEEDLO CC(C)CN(CC(C)C)C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000753829060 577794705 /nfs/dbraw/zinc/79/47/05/577794705.db2.gz CTXKQXOYEWHYNH-UHFFFAOYSA-N 1 2 347.459 2.399 20 30 EEEDLO Oc1c(Br)cccc1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753935076 577796716 /nfs/dbraw/zinc/79/67/16/577796716.db2.gz MKEKMXXNHPHZJL-RYUDHWBXSA-N 1 2 337.221 2.349 20 30 EEEDLO COc1cc(C#N)ccc1OCCCC(=O)OCc1c[nH+]cn1C ZINC000754685848 577810879 /nfs/dbraw/zinc/81/08/79/577810879.db2.gz UXYMHXAJJFLNGU-UHFFFAOYSA-N 1 2 329.356 2.203 20 30 EEEDLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+](CCC#N)CC(C)C)cc1 ZINC000755669618 577828853 /nfs/dbraw/zinc/82/88/53/577828853.db2.gz GTGVJTCYTGLFPF-UHFFFAOYSA-N 1 2 344.459 2.264 20 30 EEEDLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+](CCC#N)CC(C)C)cc1 ZINC000755669618 577828854 /nfs/dbraw/zinc/82/88/54/577828854.db2.gz GTGVJTCYTGLFPF-UHFFFAOYSA-N 1 2 344.459 2.264 20 30 EEEDLO C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000745079566 577907698 /nfs/dbraw/zinc/90/76/98/577907698.db2.gz NEEBRMKEYPDHFZ-IOSXPMGOSA-N 1 2 349.475 2.333 20 30 EEEDLO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000745079566 577907699 /nfs/dbraw/zinc/90/76/99/577907699.db2.gz NEEBRMKEYPDHFZ-IOSXPMGOSA-N 1 2 349.475 2.333 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000737966247 578274838 /nfs/dbraw/zinc/27/48/38/578274838.db2.gz XIPYYVVHLBNWEH-AEFFLSMTSA-N 1 2 342.414 2.345 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000737966247 578274839 /nfs/dbraw/zinc/27/48/39/578274839.db2.gz XIPYYVVHLBNWEH-AEFFLSMTSA-N 1 2 342.414 2.345 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C(F)F)s2)C1 ZINC000969586620 675117621 /nfs/dbraw/zinc/11/76/21/675117621.db2.gz LFBYYBXRUYUCLM-SECBINFHSA-N 1 2 330.404 2.378 20 30 EEEDLO Cc1cc(C(=O)N[C@H](C)C2C[NH+](Cc3ccccc3C#N)C2)c(C)nn1 ZINC000969750668 675182828 /nfs/dbraw/zinc/18/28/28/675182828.db2.gz WXYPVUKEPWLMJU-CQSZACIVSA-N 1 2 349.438 2.215 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970682048 676073827 /nfs/dbraw/zinc/07/38/27/676073827.db2.gz QJYBINYYMFNGLS-LBPRGKRZSA-N 1 2 342.374 2.244 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2sc(COC)nc2C)C1 ZINC000970809528 676164701 /nfs/dbraw/zinc/16/47/01/676164701.db2.gz BRCHMTLCZMHMQT-JTQLQIEISA-N 1 2 343.880 2.401 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C)cn3ccnc23)C1 ZINC000970207189 675705192 /nfs/dbraw/zinc/70/51/92/675705192.db2.gz USQVVFOEUMLEGT-CYBMUJFWSA-N 1 2 332.835 2.445 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cn(C)nc2-c2ccoc2)C1 ZINC000970207330 675705430 /nfs/dbraw/zinc/70/54/30/675705430.db2.gz YIPHEPLCSFVVCE-GFCCVEGCSA-N 1 2 348.834 2.483 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c[nH]nc2[C@@H]2CCCO2)C1 ZINC000970324132 675787735 /nfs/dbraw/zinc/78/77/35/675787735.db2.gz STQDSGBYGMGOMD-FZMZJTMJSA-N 1 2 338.839 2.064 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)C2C[NH+](CC(=O)NC3CCCC3)C2)CC1 ZINC000970375636 675830541 /nfs/dbraw/zinc/83/05/41/675830541.db2.gz GUUREVSBVPDXDB-HNNXBMFYSA-N 1 2 347.503 2.228 20 30 EEEDLO CS[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971106312 676376600 /nfs/dbraw/zinc/37/66/00/676376600.db2.gz COYIZFSQXBOTHG-LRDDRELGSA-N 1 2 335.448 2.482 20 30 EEEDLO CS[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971106312 676376601 /nfs/dbraw/zinc/37/66/01/676376601.db2.gz COYIZFSQXBOTHG-LRDDRELGSA-N 1 2 335.448 2.482 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C1 ZINC000971312707 676480618 /nfs/dbraw/zinc/48/06/18/676480618.db2.gz QKJLSWDAKQCUHR-LLVKDONJSA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C1 ZINC000971312707 676480620 /nfs/dbraw/zinc/48/06/20/676480620.db2.gz QKJLSWDAKQCUHR-LLVKDONJSA-N 1 2 337.208 2.473 20 30 EEEDLO CCCCc1noc([C@@H](C)[N@H+](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC000971504909 676603513 /nfs/dbraw/zinc/60/35/13/676603513.db2.gz PDFUCOZTVQODBP-GDBMZVCRSA-N 1 2 344.459 2.419 20 30 EEEDLO CCCCc1noc([C@@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC000971504909 676603515 /nfs/dbraw/zinc/60/35/15/676603515.db2.gz PDFUCOZTVQODBP-GDBMZVCRSA-N 1 2 344.459 2.419 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@H+](C)Cc2coc(C)n2)C1 ZINC000971687987 676738562 /nfs/dbraw/zinc/73/85/62/676738562.db2.gz RVHFGGWYERWIPA-MRXNPFEDSA-N 1 2 328.416 2.317 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2coc(C)n2)C1 ZINC000971687987 676738564 /nfs/dbraw/zinc/73/85/64/676738564.db2.gz RVHFGGWYERWIPA-MRXNPFEDSA-N 1 2 328.416 2.317 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)c2cnco2)C1 ZINC000972041358 676903040 /nfs/dbraw/zinc/90/30/40/676903040.db2.gz FHPKXXKUZGVCQF-HNNXBMFYSA-N 1 2 328.347 2.032 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)c2cnco2)C1 ZINC000972041358 676903041 /nfs/dbraw/zinc/90/30/41/676903041.db2.gz FHPKXXKUZGVCQF-HNNXBMFYSA-N 1 2 328.347 2.032 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001058548012 678346065 /nfs/dbraw/zinc/34/60/65/678346065.db2.gz CUHJNKKBDQYEHM-OAGGEKHMSA-N 1 2 344.459 2.194 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+](CCOc2ccccc2OC)CC1 ZINC000949659938 678537294 /nfs/dbraw/zinc/53/72/94/678537294.db2.gz VADZRVFEOCXAOS-UHFFFAOYSA-N 1 2 332.444 2.430 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)[C@@H]3CCCCO3)C2)C1 ZINC000972387618 678639024 /nfs/dbraw/zinc/63/90/24/678639024.db2.gz TXRYSSRYQATRNM-LPHOPBHVSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)[C@@H]3CCCCO3)C2)C1 ZINC000972387618 678639026 /nfs/dbraw/zinc/63/90/26/678639026.db2.gz TXRYSSRYQATRNM-LPHOPBHVSA-N 1 2 336.476 2.071 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccccc3C(C)C)C2)C1 ZINC000972410930 678702014 /nfs/dbraw/zinc/70/20/14/678702014.db2.gz XQJLEGFJJPJMGZ-FQEVSTJZSA-N 1 2 326.440 2.360 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccccc3C(C)C)C2)C1 ZINC000972410930 678702019 /nfs/dbraw/zinc/70/20/19/678702019.db2.gz XQJLEGFJJPJMGZ-FQEVSTJZSA-N 1 2 326.440 2.360 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)c3c(C)n[nH]c3C)C2)C1 ZINC000972440692 678744027 /nfs/dbraw/zinc/74/40/27/678744027.db2.gz JNQVCULZNCEYBI-IFXJQAMLSA-N 1 2 346.475 2.009 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)c3c(C)n[nH]c3C)C2)C1 ZINC000972440692 678744031 /nfs/dbraw/zinc/74/40/31/678744031.db2.gz JNQVCULZNCEYBI-IFXJQAMLSA-N 1 2 346.475 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679315791 /nfs/dbraw/zinc/31/57/91/679315791.db2.gz AAHJMGROPZAJFK-KRWDZBQOSA-N 1 2 340.414 2.139 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc([C@@H](C)CC)no3)C2)C1 ZINC000972584766 679360317 /nfs/dbraw/zinc/36/03/17/679360317.db2.gz BEGQHYRWSROPFV-KXBFYZLASA-N 1 2 345.443 2.128 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc([C@@H](C)CC)no3)C2)C1 ZINC000972584766 679360319 /nfs/dbraw/zinc/36/03/19/679360319.db2.gz BEGQHYRWSROPFV-KXBFYZLASA-N 1 2 345.443 2.128 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCc4ccccc43)C2)C1 ZINC000972600870 679406613 /nfs/dbraw/zinc/40/66/13/679406613.db2.gz DCBHIWWHIKCRHI-NQIIRXRSSA-N 1 2 338.451 2.043 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCc4ccccc43)C2)C1 ZINC000972600870 679406615 /nfs/dbraw/zinc/40/66/15/679406615.db2.gz DCBHIWWHIKCRHI-NQIIRXRSSA-N 1 2 338.451 2.043 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4sccc4c3)C2)C1 ZINC000972620913 679440323 /nfs/dbraw/zinc/44/03/23/679440323.db2.gz DEZWJGKDZNDQON-LJQANCHMSA-N 1 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EEEDLO Cc1cnc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)s1 ZINC001027375637 687786061 /nfs/dbraw/zinc/78/60/61/687786061.db2.gz WGLGFACYCOXKDI-OAHLLOKOSA-N 1 2 343.456 2.388 20 30 EEEDLO Cc1cnc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)s1 ZINC001027375637 687786064 /nfs/dbraw/zinc/78/60/64/687786064.db2.gz WGLGFACYCOXKDI-OAHLLOKOSA-N 1 2 343.456 2.388 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001059748072 689015408 /nfs/dbraw/zinc/01/54/08/689015408.db2.gz XZMZUULSKZOQMV-JKSUJKDBSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001059748072 689015411 /nfs/dbraw/zinc/01/54/11/689015411.db2.gz XZMZUULSKZOQMV-JKSUJKDBSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2c(C)noc2C)C(C)(C)C1 ZINC000977578874 692774145 /nfs/dbraw/zinc/77/41/45/692774145.db2.gz LETPLVSGPQBEKO-CQSZACIVSA-N 1 2 325.840 2.413 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2c(C)noc2C)C(C)(C)C1 ZINC000977578874 692774147 /nfs/dbraw/zinc/77/41/47/692774147.db2.gz LETPLVSGPQBEKO-CQSZACIVSA-N 1 2 325.840 2.413 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060039885 692978286 /nfs/dbraw/zinc/97/82/86/692978286.db2.gz KVVXAVJRNVSJHV-BEFAXECRSA-N 1 2 346.475 2.218 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[C@H]([N@@H+](C)[C@H](C)c3ncccn3)C2)c1 ZINC001027568477 693093251 /nfs/dbraw/zinc/09/32/51/693093251.db2.gz JEIFQKGIMXGRES-QAPCUYQASA-N 1 2 349.438 2.151 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[C@H]([N@H+](C)[C@H](C)c3ncccn3)C2)c1 ZINC001027568477 693093256 /nfs/dbraw/zinc/09/32/56/693093256.db2.gz JEIFQKGIMXGRES-QAPCUYQASA-N 1 2 349.438 2.151 20 30 EEEDLO Cc1cc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)ccn1 ZINC001032063498 1192035925 /nfs/dbraw/zinc/03/59/25/1192035925.db2.gz DDQVTPJZMGRKJT-UHFFFAOYSA-N 1 2 337.398 2.242 20 30 EEEDLO CCc1nc(C)c(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)o1 ZINC001032104472 1192529928 /nfs/dbraw/zinc/52/99/28/1192529928.db2.gz NPPYYEOISAIJHZ-UHFFFAOYSA-N 1 2 338.411 2.279 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@H+](Cc3nc(C)c(C)s3)C[C@@H]2O)C1 ZINC001047517019 1192693196 /nfs/dbraw/zinc/69/31/96/1192693196.db2.gz VAKDCBBSUXDHKO-GJZGRUSLSA-N 1 2 349.500 2.120 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+](Cc3nc(C)c(C)s3)C[C@@H]2O)C1 ZINC001047517019 1192693201 /nfs/dbraw/zinc/69/32/01/1192693201.db2.gz VAKDCBBSUXDHKO-GJZGRUSLSA-N 1 2 349.500 2.120 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCCN2C(=O)CCn2cc[nH+]c2)CC1 ZINC000944162335 1192921173 /nfs/dbraw/zinc/92/11/73/1192921173.db2.gz OUHYIDPIDMBWMM-QGZVFWFLSA-N 1 2 344.459 2.127 20 30 EEEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1cc[nH]c(=O)c1 ZINC001481135989 1179895234 /nfs/dbraw/zinc/89/52/34/1179895234.db2.gz PGTHPEGQAQBHAJ-UHFFFAOYSA-N 1 2 342.237 2.138 20 30 EEEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1cc[nH]c(=O)c1 ZINC001481135989 1179895245 /nfs/dbraw/zinc/89/52/45/1179895245.db2.gz PGTHPEGQAQBHAJ-UHFFFAOYSA-N 1 2 342.237 2.138 20 30 EEEDLO CCc1ncc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)s1 ZINC001032220448 1193219328 /nfs/dbraw/zinc/21/93/28/1193219328.db2.gz ISFLUUIYHZPQAW-UHFFFAOYSA-N 1 2 340.452 2.439 20 30 EEEDLO C=CC[C@@H](C)C(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1ccc[nH]1)CCO2 ZINC001268967897 1183865483 /nfs/dbraw/zinc/86/54/83/1183865483.db2.gz GHYPMHMHNDWXCR-APWZRJJASA-N 1 2 331.460 2.420 20 30 EEEDLO C=CC[C@@H](C)C(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1ccc[nH]1)CCO2 ZINC001268967897 1183865487 /nfs/dbraw/zinc/86/54/87/1183865487.db2.gz GHYPMHMHNDWXCR-APWZRJJASA-N 1 2 331.460 2.420 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC3(C(F)(F)F)CC3)C2)C1 ZINC001755402710 1185402589 /nfs/dbraw/zinc/40/25/89/1185402589.db2.gz ZBKKRCRPGALJPL-MRXNPFEDSA-N 1 2 344.377 2.046 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CC3(C(F)(F)F)CC3)C2)C1 ZINC001755402710 1185402596 /nfs/dbraw/zinc/40/25/96/1185402596.db2.gz ZBKKRCRPGALJPL-MRXNPFEDSA-N 1 2 344.377 2.046 20 30 EEEDLO C=C(Br)C[N@H+](C)CCOCCNC(=O)c1cocc1C ZINC001755542161 1185692385 /nfs/dbraw/zinc/69/23/85/1185692385.db2.gz AAQKYKMWHRGNFJ-UHFFFAOYSA-N 1 2 345.237 2.175 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCOCCNC(=O)c1cocc1C ZINC001755542161 1185692389 /nfs/dbraw/zinc/69/23/89/1185692389.db2.gz AAQKYKMWHRGNFJ-UHFFFAOYSA-N 1 2 345.237 2.175 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)n1 ZINC001088511233 1187113157 /nfs/dbraw/zinc/11/31/57/1187113157.db2.gz FEVPJGQMMZVHKM-CJNGLKHVSA-N 1 2 340.431 2.057 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)n1 ZINC001088511233 1187113161 /nfs/dbraw/zinc/11/31/61/1187113161.db2.gz FEVPJGQMMZVHKM-CJNGLKHVSA-N 1 2 340.431 2.057 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)c(C)s1 ZINC001088533428 1187178278 /nfs/dbraw/zinc/17/82/78/1187178278.db2.gz RJXQHCCUEFGQCN-BMIGLBTASA-N 1 2 343.456 2.353 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)c(C)s1 ZINC001088533428 1187178282 /nfs/dbraw/zinc/17/82/82/1187178282.db2.gz RJXQHCCUEFGQCN-BMIGLBTASA-N 1 2 343.456 2.353 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4cc[nH]c4n3)[C@@H]2C1 ZINC001075910285 1187566877 /nfs/dbraw/zinc/56/68/77/1187566877.db2.gz MAEBBZITRIDALA-DZGCQCFKSA-N 1 2 330.819 2.462 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4cc[nH]c4n3)[C@@H]2C1 ZINC001075910285 1187566880 /nfs/dbraw/zinc/56/68/80/1187566880.db2.gz MAEBBZITRIDALA-DZGCQCFKSA-N 1 2 330.819 2.462 20 30 EEEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1c[nH]c3cc(F)ccc13)C2 ZINC001272796580 1193503356 /nfs/dbraw/zinc/50/33/56/1193503356.db2.gz SYKMURCTSRABOG-UHFFFAOYSA-N 1 2 343.402 2.296 20 30 EEEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ncccc1F ZINC001272802915 1193506495 /nfs/dbraw/zinc/50/64/95/1193506495.db2.gz PYYJSUYMLCRHOP-SFHVURJKSA-N 1 2 330.407 2.481 20 30 EEEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ncccc1F ZINC001272802915 1193506496 /nfs/dbraw/zinc/50/64/96/1193506496.db2.gz PYYJSUYMLCRHOP-SFHVURJKSA-N 1 2 330.407 2.481 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)no2)[C@@H]1C ZINC001088623823 1188008369 /nfs/dbraw/zinc/00/83/69/1188008369.db2.gz WUBXZJUMIMWSGE-HIFRSBDPSA-N 1 2 344.415 2.064 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)no2)[C@@H]1C ZINC001088623823 1188008370 /nfs/dbraw/zinc/00/83/70/1188008370.db2.gz WUBXZJUMIMWSGE-HIFRSBDPSA-N 1 2 344.415 2.064 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cnn3c2CCCC3)[C@H]1C ZINC001088636634 1188022739 /nfs/dbraw/zinc/02/27/39/1188022739.db2.gz NQMHBBBBQVOEMU-HIFRSBDPSA-N 1 2 336.867 2.093 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cnn3c2CCCC3)[C@H]1C ZINC001088636634 1188022741 /nfs/dbraw/zinc/02/27/41/1188022741.db2.gz NQMHBBBBQVOEMU-HIFRSBDPSA-N 1 2 336.867 2.093 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn(CC(F)F)n2)[C@H]1C ZINC001088643516 1188030886 /nfs/dbraw/zinc/03/08/86/1188030886.db2.gz MTCOKROZFJWNCI-MNOVXSKESA-N 1 2 332.782 2.093 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn(CC(F)F)n2)[C@H]1C ZINC001088643516 1188030890 /nfs/dbraw/zinc/03/08/90/1188030890.db2.gz MTCOKROZFJWNCI-MNOVXSKESA-N 1 2 332.782 2.093 20 30 EEEDLO CCCN(CCNC(=O)[C@H](C)C#N)c1nc(C)[nH+]c2c1CCCC2 ZINC001101109197 1188905434 /nfs/dbraw/zinc/90/54/34/1188905434.db2.gz KVLOBJZJIVRGQQ-CYBMUJFWSA-N 1 2 329.448 2.156 20 30 EEEDLO C[C@@H](CCNC(=O)C#CC(C)(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001076434067 1188912467 /nfs/dbraw/zinc/91/24/67/1188912467.db2.gz CVUYGNZYOCHDSD-ZDUSSCGKSA-N 1 2 340.427 2.237 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001077016010 1189288652 /nfs/dbraw/zinc/28/86/52/1189288652.db2.gz WPWLUSGOFQJTHG-AWEZNQCLSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001077016010 1189288654 /nfs/dbraw/zinc/28/86/54/1189288654.db2.gz WPWLUSGOFQJTHG-AWEZNQCLSA-N 1 2 332.448 2.100 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3C=CCCC3)[C@@H](O)C2)s1 ZINC001083562663 1189325039 /nfs/dbraw/zinc/32/50/39/1189325039.db2.gz KXILEXQMPHGBFF-XYPHTWIQSA-N 1 2 345.468 2.027 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3C=CCCC3)[C@@H](O)C2)s1 ZINC001083562663 1189325044 /nfs/dbraw/zinc/32/50/44/1189325044.db2.gz KXILEXQMPHGBFF-XYPHTWIQSA-N 1 2 345.468 2.027 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CCC[C@@H]1CNc1[nH+]cnc2c1cnn2C ZINC001105689595 1189347289 /nfs/dbraw/zinc/34/72/89/1189347289.db2.gz RCEBYUKUJVUBIH-UKRRQHHQSA-N 1 2 342.447 2.416 20 30 EEEDLO C=CCC1(C(=O)NCC[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)CCCC1 ZINC001077309202 1189461050 /nfs/dbraw/zinc/46/10/50/1189461050.db2.gz GPZIVXMBCJXIPH-AWEZNQCLSA-N 1 2 346.475 2.408 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cnc(C(F)(F)F)nc2)C1=O ZINC001272483272 1190845235 /nfs/dbraw/zinc/84/52/35/1190845235.db2.gz DODACGCYUQPLRB-OAHLLOKOSA-N 1 2 340.349 2.248 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cnc(C(F)(F)F)nc2)C1=O ZINC001272483272 1190845236 /nfs/dbraw/zinc/84/52/36/1190845236.db2.gz DODACGCYUQPLRB-OAHLLOKOSA-N 1 2 340.349 2.248 20 30 EEEDLO C=CCCCCC[NH+]1CC2(C1)COCC(=O)N2CC(=O)C(C)(C)C ZINC001272699844 1191792170 /nfs/dbraw/zinc/79/21/70/1191792170.db2.gz OUODEYHLWGMYCU-UHFFFAOYSA-N 1 2 336.476 2.261 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2cccs2)n[nH]1 ZINC001017985889 1224175640 /nfs/dbraw/zinc/17/56/40/1224175640.db2.gz LMCVBVATWLUUSP-BETUJISGSA-N 1 2 326.425 2.060 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2cccs2)n[nH]1 ZINC001017985889 1224175648 /nfs/dbraw/zinc/17/56/48/1224175648.db2.gz LMCVBVATWLUUSP-BETUJISGSA-N 1 2 326.425 2.060 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC001272974725 1194282573 /nfs/dbraw/zinc/28/25/73/1194282573.db2.gz UQVZRGJJEPGOIC-SFHVURJKSA-N 1 2 336.382 2.202 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(F)c1F)C2 ZINC001272974725 1194282576 /nfs/dbraw/zinc/28/25/76/1194282576.db2.gz UQVZRGJJEPGOIC-SFHVURJKSA-N 1 2 336.382 2.202 20 30 EEEDLO CC[C@H](C)CCC(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001272990755 1194298833 /nfs/dbraw/zinc/29/88/33/1194298833.db2.gz JJVHMQGBXMIYKA-HNNXBMFYSA-N 1 2 328.460 2.367 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2C[C@@H]2OCC)CC1 ZINC001005147139 1194564671 /nfs/dbraw/zinc/56/46/71/1194564671.db2.gz XOZXHDLMTNIRES-KBPBESRZSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033497767 1194648640 /nfs/dbraw/zinc/64/86/40/1194648640.db2.gz PSPORWMQWQHMBL-SQNIBIBYSA-N 1 2 347.434 2.235 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033497767 1194648643 /nfs/dbraw/zinc/64/86/43/1194648643.db2.gz PSPORWMQWQHMBL-SQNIBIBYSA-N 1 2 347.434 2.235 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@H](C)[NH2+]Cc2nc(CC(F)(F)F)no2)C1 ZINC001752898059 1194960774 /nfs/dbraw/zinc/96/07/74/1194960774.db2.gz AKTZOCYYCAIOOL-JTQLQIEISA-N 1 2 346.353 2.125 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2OC)C1 ZINC001014730283 1224251475 /nfs/dbraw/zinc/25/14/75/1224251475.db2.gz CMCFCKBFZZNHSB-MRXNPFEDSA-N 1 2 340.427 2.082 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2cccnc2OC)C1 ZINC001014730283 1224251483 /nfs/dbraw/zinc/25/14/83/1224251483.db2.gz CMCFCKBFZZNHSB-MRXNPFEDSA-N 1 2 340.427 2.082 20 30 EEEDLO CC#CC[NH+]1CCC(N(C)C(=O)c2cn[nH]c2-c2ccccn2)CC1 ZINC001005487292 1195535593 /nfs/dbraw/zinc/53/55/93/1195535593.db2.gz CNTACPIDVQPTML-UHFFFAOYSA-N 1 2 337.427 2.031 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001033960532 1195586524 /nfs/dbraw/zinc/58/65/24/1195586524.db2.gz WIOXXQPBASBKAP-BBWFWOEESA-N 1 2 347.459 2.305 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001033960532 1195586531 /nfs/dbraw/zinc/58/65/31/1195586531.db2.gz WIOXXQPBASBKAP-BBWFWOEESA-N 1 2 347.459 2.305 20 30 EEEDLO C[C@H](c1ncccn1)[N@@H+]1CCCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171334 1195892944 /nfs/dbraw/zinc/89/29/44/1195892944.db2.gz NNRLHKJOZGIZFC-HIFRSBDPSA-N 1 2 338.415 2.022 20 30 EEEDLO C[C@H](c1ncccn1)[N@H+]1CCCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171334 1195892949 /nfs/dbraw/zinc/89/29/49/1195892949.db2.gz NNRLHKJOZGIZFC-HIFRSBDPSA-N 1 2 338.415 2.022 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3nocc3C)C2)c1 ZINC001034392527 1196159398 /nfs/dbraw/zinc/15/93/98/1196159398.db2.gz LGYLTEQCUUGVOK-QGZVFWFLSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCCC[N@H+](Cc3nocc3C)C2)c1 ZINC001034392527 1196159399 /nfs/dbraw/zinc/15/93/99/1196159399.db2.gz LGYLTEQCUUGVOK-QGZVFWFLSA-N 1 2 338.411 2.144 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2nocc2C)C1 ZINC001034408111 1196179767 /nfs/dbraw/zinc/17/97/67/1196179767.db2.gz GLIPRUSAPKOYOW-UXLLHSPISA-N 1 2 333.432 2.045 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2nocc2C)C1 ZINC001034408111 1196179771 /nfs/dbraw/zinc/17/97/71/1196179771.db2.gz GLIPRUSAPKOYOW-UXLLHSPISA-N 1 2 333.432 2.045 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cn(CC3CC3)nn2)C1 ZINC001034463490 1196242428 /nfs/dbraw/zinc/24/24/28/1196242428.db2.gz UUSKUDBRANETSZ-AWEZNQCLSA-N 1 2 337.855 2.025 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cn(CC3CC3)nn2)C1 ZINC001034463490 1196242431 /nfs/dbraw/zinc/24/24/31/1196242431.db2.gz UUSKUDBRANETSZ-AWEZNQCLSA-N 1 2 337.855 2.025 20 30 EEEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCCC[N@@H+](CC(=C)Cl)C1 ZINC001034503105 1196302929 /nfs/dbraw/zinc/30/29/29/1196302929.db2.gz WUFGBLPSBUWYDL-OAHLLOKOSA-N 1 2 347.846 2.430 20 30 EEEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCCC[N@H+](CC(=C)Cl)C1 ZINC001034503105 1196302935 /nfs/dbraw/zinc/30/29/35/1196302935.db2.gz WUFGBLPSBUWYDL-OAHLLOKOSA-N 1 2 347.846 2.430 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H](Nc2ncnc3c2C[N@H+](C)CC3)[C@@H]1C ZINC001090233673 1196511685 /nfs/dbraw/zinc/51/16/85/1196511685.db2.gz KPJLKYDLVBGLHB-HOCLYGCPSA-N 1 2 343.475 2.222 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)[C@@H]1C ZINC001090233673 1196511687 /nfs/dbraw/zinc/51/16/87/1196511687.db2.gz KPJLKYDLVBGLHB-HOCLYGCPSA-N 1 2 343.475 2.222 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001095321083 1197820135 /nfs/dbraw/zinc/82/01/35/1197820135.db2.gz UIUONWZMHJCVOX-KGLIPLIRSA-N 1 2 342.447 2.369 20 30 EEEDLO C=CCN(C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1)C(C)C ZINC000863943235 1197932719 /nfs/dbraw/zinc/93/27/19/1197932719.db2.gz UBFCRKPBIZDSLF-UHFFFAOYSA-N 1 2 332.444 2.485 20 30 EEEDLO C=CCN(C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1)C(C)C ZINC000863943235 1197932723 /nfs/dbraw/zinc/93/27/23/1197932723.db2.gz UBFCRKPBIZDSLF-UHFFFAOYSA-N 1 2 332.444 2.485 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(O)ccc1F)C2 ZINC001273284699 1197953403 /nfs/dbraw/zinc/95/34/03/1197953403.db2.gz KJDQTICGHRNKRY-IBGZPJMESA-N 1 2 348.418 2.158 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(O)ccc1F)C2 ZINC001273284699 1197953407 /nfs/dbraw/zinc/95/34/07/1197953407.db2.gz KJDQTICGHRNKRY-IBGZPJMESA-N 1 2 348.418 2.158 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001132002888 1199187878 /nfs/dbraw/zinc/18/78/78/1199187878.db2.gz OAVFBKHEVHFBDR-HOTGVXAUSA-N 1 2 328.460 2.102 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001132002888 1199187883 /nfs/dbraw/zinc/18/78/83/1199187883.db2.gz OAVFBKHEVHFBDR-HOTGVXAUSA-N 1 2 328.460 2.102 20 30 EEEDLO Cc1cnc(C[N@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)cn1 ZINC001132037491 1199221599 /nfs/dbraw/zinc/22/15/99/1199221599.db2.gz CQUMNWSOAUQDSU-CVEARBPZSA-N 1 2 328.460 2.304 20 30 EEEDLO Cc1cnc(C[N@@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)cn1 ZINC001132037491 1199221602 /nfs/dbraw/zinc/22/16/02/1199221602.db2.gz CQUMNWSOAUQDSU-CVEARBPZSA-N 1 2 328.460 2.304 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC2CC2)C1 ZINC001132057277 1199244543 /nfs/dbraw/zinc/24/45/43/1199244543.db2.gz MJSFUYOUQJTHNE-CRAIPNDOSA-N 1 2 347.503 2.250 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC2CC2)C1 ZINC001132057277 1199244548 /nfs/dbraw/zinc/24/45/48/1199244548.db2.gz MJSFUYOUQJTHNE-CRAIPNDOSA-N 1 2 347.503 2.250 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2c(C)oc(C)c2C)CC[C@@H]1C ZINC001132161114 1199396737 /nfs/dbraw/zinc/39/67/37/1199396737.db2.gz XFGPFOUFPKXCOL-LRDDRELGSA-N 1 2 347.459 2.090 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2c(C)oc(C)c2C)CC[C@@H]1C ZINC001132161114 1199396743 /nfs/dbraw/zinc/39/67/43/1199396743.db2.gz XFGPFOUFPKXCOL-LRDDRELGSA-N 1 2 347.459 2.090 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)NCCC)C2)CC1 ZINC001132279539 1199529689 /nfs/dbraw/zinc/52/96/89/1199529689.db2.gz YHZNBQWFEXMGSR-CVEARBPZSA-N 1 2 335.492 2.228 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)NCCC)C2)CC1 ZINC001132279539 1199529692 /nfs/dbraw/zinc/52/96/92/1199529692.db2.gz YHZNBQWFEXMGSR-CVEARBPZSA-N 1 2 335.492 2.228 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(-c2ccc(OC)cc2)no1 ZINC001132395644 1199652200 /nfs/dbraw/zinc/65/22/00/1199652200.db2.gz JKKMUCLUKGPFEW-UHFFFAOYSA-N 1 2 344.415 2.163 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(-c2ccccc2OC)no1 ZINC001132395980 1199652482 /nfs/dbraw/zinc/65/24/82/1199652482.db2.gz WVQGAKKUBDNFPS-UHFFFAOYSA-N 1 2 344.415 2.163 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCC(=O)NCC)CC[C@@H]1C ZINC001132432815 1199699908 /nfs/dbraw/zinc/69/99/08/1199699908.db2.gz HHPIZMSVQXVACK-KBPBESRZSA-N 1 2 329.872 2.014 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCC(=O)NCC)CC[C@@H]1C ZINC001132432815 1199699912 /nfs/dbraw/zinc/69/99/12/1199699912.db2.gz HHPIZMSVQXVACK-KBPBESRZSA-N 1 2 329.872 2.014 20 30 EEEDLO Cc1nc(Nc2ccc(OCC#N)cc2)cc(N2CCOCC2)[nH+]1 ZINC001212606272 1199799596 /nfs/dbraw/zinc/79/95/96/1199799596.db2.gz VQLIPELIYSUOGX-UHFFFAOYSA-N 1 2 325.372 2.268 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cncc4[nH]ccc43)CC2)cc1 ZINC000877895753 1200152158 /nfs/dbraw/zinc/15/21/58/1200152158.db2.gz JKMFICLIAGLAMY-UHFFFAOYSA-N 1 2 345.406 2.393 20 30 EEEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878035321 1200225583 /nfs/dbraw/zinc/22/55/83/1200225583.db2.gz RQCIBNWUXUKCJP-PKOBYXMFSA-N 1 2 327.428 2.028 20 30 EEEDLO CNC(=O)[C@@H]1CCCC[N@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878035321 1200225589 /nfs/dbraw/zinc/22/55/89/1200225589.db2.gz RQCIBNWUXUKCJP-PKOBYXMFSA-N 1 2 327.428 2.028 20 30 EEEDLO CC(=O)[C@@](C#N)(CC[N@H+](CCO)Cc1cccnc1)c1ccccc1 ZINC000878193862 1200314418 /nfs/dbraw/zinc/31/44/18/1200314418.db2.gz LZRHDOPCAZOKPS-FQEVSTJZSA-N 1 2 337.423 2.317 20 30 EEEDLO CC(=O)[C@@](C#N)(CC[N@@H+](CCO)Cc1cccnc1)c1ccccc1 ZINC000878193862 1200314424 /nfs/dbraw/zinc/31/44/24/1200314424.db2.gz LZRHDOPCAZOKPS-FQEVSTJZSA-N 1 2 337.423 2.317 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001114473053 1201019558 /nfs/dbraw/zinc/01/95/58/1201019558.db2.gz RXEXLLWCEJENHN-HNAYVOBHSA-N 1 2 346.475 2.345 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H](C)C(C)(C)C)C2)CC1 ZINC001018367527 1224651682 /nfs/dbraw/zinc/65/16/82/1224651682.db2.gz SKEWIXWSYUYZSF-DLBZAZTESA-N 1 2 349.519 2.237 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C3(C)CCCC3)C2)CC1 ZINC001018370436 1224654157 /nfs/dbraw/zinc/65/41/57/1224654157.db2.gz SJQHYDRAYPYTJH-QGZVFWFLSA-N 1 2 347.503 2.136 20 30 EEEDLO C=CCCC(=O)N1CC[C@@]2(C1)CN(c1nc(C)[nH+]c(C)c1C)CCO2 ZINC001114417001 1201769773 /nfs/dbraw/zinc/76/97/73/1201769773.db2.gz KKFJBDMTQZDYLO-LJQANCHMSA-N 1 2 344.459 2.176 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@H]2C)CC1 ZINC001011929268 1224737011 /nfs/dbraw/zinc/73/70/11/1224737011.db2.gz GVPRUXJWXXIWNR-DOTOQJQBSA-N 1 2 344.459 2.125 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)c1 ZINC000826558384 1204253919 /nfs/dbraw/zinc/25/39/19/1204253919.db2.gz WVIWJCKDWQYADT-HXUWFJFHSA-N 1 2 349.434 2.002 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)c1 ZINC000826558384 1204253921 /nfs/dbraw/zinc/25/39/21/1204253921.db2.gz WVIWJCKDWQYADT-HXUWFJFHSA-N 1 2 349.434 2.002 20 30 EEEDLO CC[C@@H](C)N1C(=O)COCC12C[NH+](Cc1ccc(C#N)cc1C)C2 ZINC001274030038 1204335815 /nfs/dbraw/zinc/33/58/15/1204335815.db2.gz AMHFVZYUHMXFJV-OAHLLOKOSA-N 1 2 327.428 2.078 20 30 EEEDLO CCCCN1C(=O)COCC12C[NH+](Cc1ccc(C#N)cc1C)C2 ZINC001274030506 1204336429 /nfs/dbraw/zinc/33/64/29/1204336429.db2.gz PGLHRBPQMKCVLC-UHFFFAOYSA-N 1 2 327.428 2.080 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890246378 1204813863 /nfs/dbraw/zinc/81/38/63/1204813863.db2.gz JIDNPHFCWLKKOW-IAGOWNOFSA-N 1 2 328.416 2.251 20 30 EEEDLO Cc1nc(N2CCC(C)(CNC(=O)[C@H](C)C#N)CC2)c(C)c(C)[nH+]1 ZINC001110872657 1204949512 /nfs/dbraw/zinc/94/95/12/1204949512.db2.gz MAUPZKIMKWLFRU-GFCCVEGCSA-N 1 2 329.448 2.284 20 30 EEEDLO C=CCN1CCC2(CCN(c3nc(N(C)CC)c(C)c[nH+]3)CC2)C1=O ZINC001274726261 1205142536 /nfs/dbraw/zinc/14/25/36/1205142536.db2.gz ODIXLNFCPMCLJI-UHFFFAOYSA-N 1 2 343.475 2.246 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@]12CCN(Cc1ncccn1)C2=O ZINC001275680038 1205481513 /nfs/dbraw/zinc/48/15/13/1205481513.db2.gz QEGNCZGGVYEAJU-FQEVSTJZSA-N 1 2 347.422 2.115 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@]12CCN(Cc1ncccn1)C2=O ZINC001275680038 1205481514 /nfs/dbraw/zinc/48/15/14/1205481514.db2.gz QEGNCZGGVYEAJU-FQEVSTJZSA-N 1 2 347.422 2.115 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001095444447 1205763680 /nfs/dbraw/zinc/76/36/80/1205763680.db2.gz MNPKADKNFFCAEK-GOSISDBHSA-N 1 2 342.447 2.051 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)(C)C ZINC001110935125 1206315408 /nfs/dbraw/zinc/31/54/08/1206315408.db2.gz YVIUKIZHQRZUNW-HZMVEIRTSA-N 1 2 349.519 2.473 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)(C)C ZINC001110935125 1206315405 /nfs/dbraw/zinc/31/54/05/1206315405.db2.gz YVIUKIZHQRZUNW-HZMVEIRTSA-N 1 2 349.519 2.473 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCCCC)CC1 ZINC001110982131 1206535966 /nfs/dbraw/zinc/53/59/66/1206535966.db2.gz JUHFHCHKAHIUTE-KURKYZTESA-N 1 2 347.503 2.371 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCCCC)CC1 ZINC001110982131 1206535967 /nfs/dbraw/zinc/53/59/67/1206535967.db2.gz JUHFHCHKAHIUTE-KURKYZTESA-N 1 2 347.503 2.371 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cnns2)C[C@@H]1C ZINC000947094137 1207725561 /nfs/dbraw/zinc/72/55/61/1207725561.db2.gz IQVHTGIKVGUJBM-VHSXEESVSA-N 1 2 345.266 2.029 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cnns2)C[C@@H]1C ZINC000947094137 1207725563 /nfs/dbraw/zinc/72/55/63/1207725563.db2.gz IQVHTGIKVGUJBM-VHSXEESVSA-N 1 2 345.266 2.029 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ncoc2C)C[C@H]1C ZINC000947109405 1207865587 /nfs/dbraw/zinc/86/55/87/1207865587.db2.gz VAFPWEOQNPIZRE-ZYHUDNBSSA-N 1 2 342.237 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ncoc2C)C[C@H]1C ZINC000947109405 1207865589 /nfs/dbraw/zinc/86/55/89/1207865589.db2.gz VAFPWEOQNPIZRE-ZYHUDNBSSA-N 1 2 342.237 2.474 20 30 EEEDLO C=C(C)CCC(=O)N(C)[C@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1O ZINC001111190707 1208345358 /nfs/dbraw/zinc/34/53/58/1208345358.db2.gz OGQBJMAPQKGOHB-HOTGVXAUSA-N 1 2 344.459 2.027 20 30 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N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CC3(F)F)C2)c1 ZINC001007288988 1216942173 /nfs/dbraw/zinc/94/21/73/1216942173.db2.gz RXFJQQOLFJEXPI-KBPBESRZSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CC3(F)F)C2)c1 ZINC001007288988 1216942175 /nfs/dbraw/zinc/94/21/75/1216942175.db2.gz RXFJQQOLFJEXPI-KBPBESRZSA-N 1 2 337.345 2.433 20 30 EEEDLO O=C(C#CC1CC1)N1CCC[C@@H]([C@H]2CC[N@H+](Cc3cnsn3)C2)C1 ZINC000961176460 1217072150 /nfs/dbraw/zinc/07/21/50/1217072150.db2.gz VCNIYRGWHZSLEV-CVEARBPZSA-N 1 2 344.484 2.012 20 30 EEEDLO O=C(C#CC1CC1)N1CCC[C@@H]([C@H]2CC[N@@H+](Cc3cnsn3)C2)C1 ZINC000961176460 1217072152 /nfs/dbraw/zinc/07/21/52/1217072152.db2.gz VCNIYRGWHZSLEV-CVEARBPZSA-N 1 2 344.484 2.012 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)c4nc(CC)no4)C[C@H]32)CC1 ZINC000961684323 1217274495 /nfs/dbraw/zinc/27/44/95/1217274495.db2.gz CZCKAHXBVWWCIJ-MKVSYHDVSA-N 1 2 344.459 2.486 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)c4nc(CC)no4)C[C@H]32)CC1 ZINC000961684323 1217274498 /nfs/dbraw/zinc/27/44/98/1217274498.db2.gz CZCKAHXBVWWCIJ-MKVSYHDVSA-N 1 2 344.459 2.486 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)c1ccco1 ZINC000961758054 1217313214 /nfs/dbraw/zinc/31/32/14/1217313214.db2.gz ITHWOKVNTGDRRR-NMKXLXIOSA-N 1 2 339.233 2.338 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)c1ccco1 ZINC000961758054 1217313220 /nfs/dbraw/zinc/31/32/20/1217313220.db2.gz ITHWOKVNTGDRRR-NMKXLXIOSA-N 1 2 339.233 2.338 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CCn1cc[nH+]c1 ZINC000963441975 1217633154 /nfs/dbraw/zinc/63/31/54/1217633154.db2.gz JWLXLWGOCWWACL-HZPDHXFCSA-N 1 2 344.459 2.077 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)c(C)o1 ZINC001015898165 1225801783 /nfs/dbraw/zinc/80/17/83/1225801783.db2.gz KGIPHUGQKILARC-HNNXBMFYSA-N 1 2 342.374 2.307 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)c(C)o1 ZINC001015898165 1225801784 /nfs/dbraw/zinc/80/17/84/1225801784.db2.gz KGIPHUGQKILARC-HNNXBMFYSA-N 1 2 342.374 2.307 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1coc(CC2CC2)n1 ZINC001015919710 1225827104 /nfs/dbraw/zinc/82/71/04/1225827104.db2.gz MNJUUSFIZUBAPS-SFHVURJKSA-N 1 2 349.434 2.483 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1coc(CC2CC2)n1 ZINC001015919710 1225827109 /nfs/dbraw/zinc/82/71/09/1225827109.db2.gz MNJUUSFIZUBAPS-SFHVURJKSA-N 1 2 349.434 2.483 20 30 EEEDLO C[C@H]1CC[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cnsn1 ZINC000965222792 1218969880 /nfs/dbraw/zinc/96/98/80/1218969880.db2.gz VHYCKKPXCRTTLE-WMLDXEAASA-N 1 2 340.452 2.030 20 30 EEEDLO C[C@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cnsn1 ZINC000965222792 1218969882 /nfs/dbraw/zinc/96/98/82/1218969882.db2.gz VHYCKKPXCRTTLE-WMLDXEAASA-N 1 2 340.452 2.030 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1cocn1 ZINC000965557185 1219143666 /nfs/dbraw/zinc/14/36/66/1219143666.db2.gz KIRNIFUEGCZCHG-MLGOLLRUSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1cocn1 ZINC000965557185 1219143668 /nfs/dbraw/zinc/14/36/68/1219143668.db2.gz KIRNIFUEGCZCHG-MLGOLLRUSA-N 1 2 342.374 2.326 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2c(C)cc(=O)oc2C)C1 ZINC000967286797 1220380537 /nfs/dbraw/zinc/38/05/37/1220380537.db2.gz AEBUSXRVOMLGNG-IINYFYTJSA-N 1 2 338.835 2.449 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2c(C)cc(=O)oc2C)C1 ZINC000967286797 1220380540 /nfs/dbraw/zinc/38/05/40/1220380540.db2.gz AEBUSXRVOMLGNG-IINYFYTJSA-N 1 2 338.835 2.449 20 30 EEEDLO C[C@@H]1CC[N@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)c1csnn1 ZINC000967492496 1220562307 /nfs/dbraw/zinc/56/23/07/1220562307.db2.gz CBTMYSMCYNNUIE-ZBFHGGJFSA-N 1 2 340.452 2.030 20 30 EEEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)c1csnn1 ZINC000967492496 1220562309 /nfs/dbraw/zinc/56/23/09/1220562309.db2.gz CBTMYSMCYNNUIE-ZBFHGGJFSA-N 1 2 340.452 2.030 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1csnn1 ZINC000967502273 1220572743 /nfs/dbraw/zinc/57/27/43/1220572743.db2.gz XCKPJEHUFAASKD-GXFFZTMASA-N 1 2 347.469 2.112 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1csnn1 ZINC000967502273 1220572747 /nfs/dbraw/zinc/57/27/47/1220572747.db2.gz XCKPJEHUFAASKD-GXFFZTMASA-N 1 2 347.469 2.112 20 30 EEEDLO CC[C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@H]1NCC#N ZINC001037955387 1220720720 /nfs/dbraw/zinc/72/07/20/1220720720.db2.gz AQHIGWYVPYVEPD-MAUKXSAKSA-N 1 2 337.427 2.226 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1C ZINC000968486906 1221343730 /nfs/dbraw/zinc/34/37/30/1221343730.db2.gz BIUJQHJKVFIYRS-GUYCJALGSA-N 1 2 338.411 2.495 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1C ZINC000968486906 1221343735 /nfs/dbraw/zinc/34/37/35/1221343735.db2.gz BIUJQHJKVFIYRS-GUYCJALGSA-N 1 2 338.411 2.495 20 30 EEEDLO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)c1 ZINC000968752811 1221539250 /nfs/dbraw/zinc/53/92/50/1221539250.db2.gz UTALWWBJHDSMKI-YPMHNXCESA-N 1 2 347.287 2.288 20 30 EEEDLO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)c1 ZINC000968752811 1221539253 /nfs/dbraw/zinc/53/92/53/1221539253.db2.gz UTALWWBJHDSMKI-YPMHNXCESA-N 1 2 347.287 2.288 20 30 EEEDLO Cc1cc(C[N@@H+]2CCCCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)no1 ZINC000968803278 1221582853 /nfs/dbraw/zinc/58/28/53/1221582853.db2.gz HRIGQBCYJMPQFV-MRXNPFEDSA-N 1 2 341.415 2.357 20 30 EEEDLO Cc1cc(C[N@H+]2CCCCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)no1 ZINC000968803278 1221582855 /nfs/dbraw/zinc/58/28/55/1221582855.db2.gz HRIGQBCYJMPQFV-MRXNPFEDSA-N 1 2 341.415 2.357 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCCCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)o1 ZINC000968803271 1221583172 /nfs/dbraw/zinc/58/31/72/1221583172.db2.gz HQYLNRWPZOSMMX-HNNXBMFYSA-N 1 2 341.415 2.357 20 30 EEEDLO Cc1cnc(C[N@H+]2CCCCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)o1 ZINC000968803271 1221583175 /nfs/dbraw/zinc/58/31/75/1221583175.db2.gz HQYLNRWPZOSMMX-HNNXBMFYSA-N 1 2 341.415 2.357 20 30 EEEDLO Cn1cccc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001006771076 1221933284 /nfs/dbraw/zinc/93/32/84/1221933284.db2.gz DHRMAKJAIUWZEA-MRXNPFEDSA-N 1 2 340.402 2.430 20 30 EEEDLO Cn1cccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001006771076 1221933286 /nfs/dbraw/zinc/93/32/86/1221933286.db2.gz DHRMAKJAIUWZEA-MRXNPFEDSA-N 1 2 340.402 2.430 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)[nH]n1 ZINC001006846179 1221975588 /nfs/dbraw/zinc/97/55/88/1221975588.db2.gz KNHXSYNYWQOLCZ-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)[nH]n1 ZINC001006846179 1221975592 /nfs/dbraw/zinc/97/55/92/1221975592.db2.gz KNHXSYNYWQOLCZ-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)c1C ZINC001006944075 1222026850 /nfs/dbraw/zinc/02/68/50/1222026850.db2.gz GZUTULQPWRDROL-SFHVURJKSA-N 1 2 336.439 2.272 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)c1C ZINC001006944075 1222026852 /nfs/dbraw/zinc/02/68/52/1222026852.db2.gz GZUTULQPWRDROL-SFHVURJKSA-N 1 2 336.439 2.272 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)cnn1 ZINC001007210647 1222130694 /nfs/dbraw/zinc/13/06/94/1222130694.db2.gz RODIVQBRMRVINE-LJQANCHMSA-N 1 2 334.423 2.031 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)cnn1 ZINC001007210647 1222130697 /nfs/dbraw/zinc/13/06/97/1222130697.db2.gz RODIVQBRMRVINE-LJQANCHMSA-N 1 2 334.423 2.031 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001008595742 1222950601 /nfs/dbraw/zinc/95/06/01/1222950601.db2.gz ADHJRNABNCQFGL-MKXGPGLRSA-N 1 2 339.439 2.206 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001008595742 1222950603 /nfs/dbraw/zinc/95/06/03/1222950603.db2.gz ADHJRNABNCQFGL-MKXGPGLRSA-N 1 2 339.439 2.206 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3conc3CC)C2)nc1 ZINC001009244310 1223186562 /nfs/dbraw/zinc/18/65/62/1223186562.db2.gz CKARAXDFXGNLRE-MRXNPFEDSA-N 1 2 338.411 2.008 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3conc3CC)C2)nc1 ZINC001009244310 1223186563 /nfs/dbraw/zinc/18/65/63/1223186563.db2.gz CKARAXDFXGNLRE-MRXNPFEDSA-N 1 2 338.411 2.008 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3ccnc(F)c3)C2)ccc1F ZINC001010357172 1223679129 /nfs/dbraw/zinc/67/91/29/1223679129.db2.gz IKTBWQQWGOEYPU-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)c3ccnc(F)c3)C2)ccc1F ZINC001010357172 1223679131 /nfs/dbraw/zinc/67/91/31/1223679131.db2.gz IKTBWQQWGOEYPU-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCc3sccc3C2)C1 ZINC001016324426 1226344869 /nfs/dbraw/zinc/34/48/69/1226344869.db2.gz XTOUVOLWCDJVII-AWEZNQCLSA-N 1 2 339.892 2.049 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCc3sccc3C2)C1 ZINC001016324426 1226344876 /nfs/dbraw/zinc/34/48/76/1226344876.db2.gz XTOUVOLWCDJVII-AWEZNQCLSA-N 1 2 339.892 2.049 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001016353118 1226381288 /nfs/dbraw/zinc/38/12/88/1226381288.db2.gz ITBYJJOIYYQVRX-ZDUSSCGKSA-N 1 2 331.807 2.028 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001016353118 1226381294 /nfs/dbraw/zinc/38/12/94/1226381294.db2.gz ITBYJJOIYYQVRX-ZDUSSCGKSA-N 1 2 331.807 2.028 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC23CCOCC3)C1 ZINC001016435298 1226477366 /nfs/dbraw/zinc/47/73/66/1226477366.db2.gz FFWHXTYKZVZSHT-QZTJIDSGSA-N 1 2 339.439 2.065 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC23CCOCC3)C1 ZINC001016435298 1226477371 /nfs/dbraw/zinc/47/73/71/1226477371.db2.gz FFWHXTYKZVZSHT-QZTJIDSGSA-N 1 2 339.439 2.065 20 30 EEEDLO C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)c2cn(C)c(C)cc2=O)CC1 ZINC001016673087 1226760019 /nfs/dbraw/zinc/76/00/19/1226760019.db2.gz YWMDYLUNKSRRJF-MRXNPFEDSA-N 1 2 349.862 2.031 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3c(F)cncc3F)C2)s1 ZINC001014579522 1226801992 /nfs/dbraw/zinc/80/19/92/1226801992.db2.gz KEOILMPGAQETJS-JTQLQIEISA-N 1 2 348.378 2.297 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3c(F)cncc3F)C2)s1 ZINC001014579522 1226801996 /nfs/dbraw/zinc/80/19/96/1226801996.db2.gz KEOILMPGAQETJS-JTQLQIEISA-N 1 2 348.378 2.297 20 30 EEEDLO C=C(Cl)CN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001017570698 1227532402 /nfs/dbraw/zinc/53/24/02/1227532402.db2.gz FYYIUCJYANRPNY-IYBDPMFKSA-N 1 2 348.878 2.190 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001054677745 1248849289 /nfs/dbraw/zinc/84/92/89/1248849289.db2.gz FZHHMMWPNKCRFC-JOYOIKCWSA-N 1 2 326.828 2.093 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)nc1 ZINC001097960810 1248987452 /nfs/dbraw/zinc/98/74/52/1248987452.db2.gz HLMGRITXJLGEBJ-ZDUSSCGKSA-N 1 2 335.411 2.269 20 30 EEEDLO CC(C)n1nccc1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038302561 1229732165 /nfs/dbraw/zinc/73/21/65/1229732165.db2.gz YMZPWUNZMKEGJE-QGZVFWFLSA-N 1 2 337.427 2.340 20 30 EEEDLO CC(C)n1nccc1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038302561 1229732168 /nfs/dbraw/zinc/73/21/68/1229732168.db2.gz YMZPWUNZMKEGJE-QGZVFWFLSA-N 1 2 337.427 2.340 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cnn(C(F)F)c2)c1 ZINC001038847421 1230106721 /nfs/dbraw/zinc/10/67/21/1230106721.db2.gz XIPBMMCKTSRZLY-OAHLLOKOSA-N 1 2 345.353 2.154 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cnn(C(F)F)c2)c1 ZINC001038847421 1230106722 /nfs/dbraw/zinc/10/67/22/1230106722.db2.gz XIPBMMCKTSRZLY-OAHLLOKOSA-N 1 2 345.353 2.154 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039130921 1230339473 /nfs/dbraw/zinc/33/94/73/1230339473.db2.gz AMJKAEZFQHACGJ-UONOGXRCSA-N 1 2 334.357 2.471 20 30 EEEDLO CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039130921 1230339476 /nfs/dbraw/zinc/33/94/76/1230339476.db2.gz AMJKAEZFQHACGJ-UONOGXRCSA-N 1 2 334.357 2.471 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC001039130921 1230339477 /nfs/dbraw/zinc/33/94/77/1230339477.db2.gz AMJKAEZFQHACGJ-UONOGXRCSA-N 1 2 334.357 2.471 20 30 EEEDLO CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC001039130921 1230339480 /nfs/dbraw/zinc/33/94/80/1230339480.db2.gz AMJKAEZFQHACGJ-UONOGXRCSA-N 1 2 334.357 2.471 20 30 EEEDLO N#CCN1CC[C@H]([C@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039217144 1230446066 /nfs/dbraw/zinc/44/60/66/1230446066.db2.gz STUUZYFIEBCMEA-JKSUJKDBSA-N 1 2 337.427 2.174 20 30 EEEDLO Cc1conc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c[nH]1 ZINC001039361893 1230553357 /nfs/dbraw/zinc/55/33/57/1230553357.db2.gz FXMWPIFIAHGINF-CABCVRRESA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1conc1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c[nH]1 ZINC001039361893 1230553359 /nfs/dbraw/zinc/55/33/59/1230553359.db2.gz FXMWPIFIAHGINF-CABCVRRESA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)[nH]n1 ZINC001039521099 1230673891 /nfs/dbraw/zinc/67/38/91/1230673891.db2.gz KFEWVJRMTGSSMZ-HDICACEKSA-N 1 2 349.438 2.469 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)[nH]n1 ZINC001039521099 1230673893 /nfs/dbraw/zinc/67/38/93/1230673893.db2.gz KFEWVJRMTGSSMZ-HDICACEKSA-N 1 2 349.438 2.469 20 30 EEEDLO Cc1nc(NC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC[C@H]2C)cc[nH+]1 ZINC001039854523 1230859971 /nfs/dbraw/zinc/85/99/71/1230859971.db2.gz HMFDGVSOROCKII-IUODEOHRSA-N 1 2 338.415 2.195 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](CNc3cc[nH+]c(C)n3)C2)cn1 ZINC001039875705 1230877833 /nfs/dbraw/zinc/87/78/33/1230877833.db2.gz SGJUJWDGXQPISJ-RHSMWYFYSA-N 1 2 349.438 2.372 20 30 EEEDLO Cc1c[nH]c(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(C#N)cc2)n1 ZINC001039941904 1230919193 /nfs/dbraw/zinc/91/91/93/1230919193.db2.gz MLWCLPZHOOCFTR-HDICACEKSA-N 1 2 349.438 2.469 20 30 EEEDLO Cc1c[nH]c(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)cc2)n1 ZINC001039941904 1230919197 /nfs/dbraw/zinc/91/91/97/1230919197.db2.gz MLWCLPZHOOCFTR-HDICACEKSA-N 1 2 349.438 2.469 20 30 EEEDLO Cc1nc(N[C@H]2CCN(C(=O)[C@H](C)C#N)[C@H]2C)c2c([nH+]1)CCCC2 ZINC001040073640 1231003340 /nfs/dbraw/zinc/00/33/40/1231003340.db2.gz FKYOUUAEUWNCQP-XUJVJEKNSA-N 1 2 327.432 2.225 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)c3ncccc3O)C2)C1 ZINC001040173734 1231074784 /nfs/dbraw/zinc/07/47/84/1231074784.db2.gz MCSRBKNVNYYZBG-KRWDZBQOSA-N 1 2 335.835 2.468 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ncccc3O)C2)C1 ZINC001040173734 1231074786 /nfs/dbraw/zinc/07/47/86/1231074786.db2.gz MCSRBKNVNYYZBG-KRWDZBQOSA-N 1 2 335.835 2.468 20 30 EEEDLO Cc1ncc(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4ccccc4C#N)[C@@H]3C2)[nH]1 ZINC001041971355 1231798647 /nfs/dbraw/zinc/79/86/47/1231798647.db2.gz CONIJPRCLWWZMA-HNAYVOBHSA-N 1 2 349.438 2.326 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CC[N@H+](Cc4nccs4)[C@@H]3C2)c1 ZINC001041999161 1231819388 /nfs/dbraw/zinc/81/93/88/1231819388.db2.gz DQTKUQIGFLLUNB-DZGCQCFKSA-N 1 2 341.440 2.079 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4nccs4)[C@@H]3C2)c1 ZINC001041999161 1231819390 /nfs/dbraw/zinc/81/93/90/1231819390.db2.gz DQTKUQIGFLLUNB-DZGCQCFKSA-N 1 2 341.440 2.079 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@H]2CC[N@H+](Cc3ncc(C4CC4)o3)[C@@H]2C1 ZINC001042057794 1231859390 /nfs/dbraw/zinc/85/93/90/1231859390.db2.gz MWEBAGJTULLIBS-NVXWUHKLSA-N 1 2 339.439 2.388 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@@H]2C1 ZINC001042057794 1231859393 /nfs/dbraw/zinc/85/93/93/1231859393.db2.gz MWEBAGJTULLIBS-NVXWUHKLSA-N 1 2 339.439 2.388 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3nccc(C)n3)[C@H]2C1 ZINC001042187826 1231945234 /nfs/dbraw/zinc/94/52/34/1231945234.db2.gz OMNXAAAQSSMRAU-HOTGVXAUSA-N 1 2 328.460 2.420 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3nccc(C)n3)[C@H]2C1 ZINC001042187826 1231945236 /nfs/dbraw/zinc/94/52/36/1231945236.db2.gz OMNXAAAQSSMRAU-HOTGVXAUSA-N 1 2 328.460 2.420 20 30 EEEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001042590244 1232114111 /nfs/dbraw/zinc/11/41/11/1232114111.db2.gz ZPUMWMCWNDYLLU-LLVKDONJSA-N 1 2 341.242 2.226 20 30 EEEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2ccc(CF)cc2)C1 ZINC001042590128 1232114160 /nfs/dbraw/zinc/11/41/60/1232114160.db2.gz VCXDKEMOPCHGHG-UHFFFAOYSA-N 1 2 326.375 2.312 20 30 EEEDLO Cc1ccccc1OCC[NH+]1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001042638636 1232126801 /nfs/dbraw/zinc/12/68/01/1232126801.db2.gz QUNFGSWXRQXQRZ-UHFFFAOYSA-N 1 2 338.411 2.030 20 30 EEEDLO C=CCCn1cc(C(=O)N(C)C2C[NH+](Cc3ccccc3C)C2)nn1 ZINC001044027561 1232678801 /nfs/dbraw/zinc/67/88/01/1232678801.db2.gz HACNITAMEADGDM-UHFFFAOYSA-N 1 2 339.443 2.119 20 30 EEEDLO CCN(CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccncc1C#N ZINC001095985700 1233101182 /nfs/dbraw/zinc/10/11/82/1233101182.db2.gz SJIVDFCBQHPWSQ-UHFFFAOYSA-N 1 2 348.410 2.476 20 30 EEEDLO Cc1cnc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3C#N)C2)cn1 ZINC001046118010 1234460954 /nfs/dbraw/zinc/46/09/54/1234460954.db2.gz VEARHHKXXGOTEL-IBGZPJMESA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1cnc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3C#N)C2)cn1 ZINC001046118010 1234460957 /nfs/dbraw/zinc/46/09/57/1234460957.db2.gz VEARHHKXXGOTEL-IBGZPJMESA-N 1 2 335.411 2.051 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-c3cn[nH]c3)cn2)C1 ZINC001046430614 1234792785 /nfs/dbraw/zinc/79/27/85/1234792785.db2.gz CZDIJUWTDGVFBU-QGZVFWFLSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-c3cn[nH]c3)cn2)C1 ZINC001046430614 1234792790 /nfs/dbraw/zinc/79/27/90/1234792790.db2.gz CZDIJUWTDGVFBU-QGZVFWFLSA-N 1 2 345.834 2.418 20 30 EEEDLO C[C@]1(NC(=O)c2[nH]nc3c2CCC3)CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001046440927 1234807954 /nfs/dbraw/zinc/80/79/54/1234807954.db2.gz XVLMIMZYOSCEAZ-FQEVSTJZSA-N 1 2 349.438 2.164 20 30 EEEDLO C[C@]1(NC(=O)c2[nH]nc3c2CCC3)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046440927 1234807956 /nfs/dbraw/zinc/80/79/56/1234807956.db2.gz XVLMIMZYOSCEAZ-FQEVSTJZSA-N 1 2 349.438 2.164 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3nc(C)oc3C)C2)c1 ZINC001046604364 1234987202 /nfs/dbraw/zinc/98/72/02/1234987202.db2.gz IQOVHYIEQUAGPF-IBGZPJMESA-N 1 2 338.411 2.062 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@H+](Cc3nc(C)oc3C)C2)c1 ZINC001046604364 1234987205 /nfs/dbraw/zinc/98/72/05/1234987205.db2.gz IQOVHYIEQUAGPF-IBGZPJMESA-N 1 2 338.411 2.062 20 30 EEEDLO Cc1conc1C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046756503 1235153287 /nfs/dbraw/zinc/15/32/87/1235153287.db2.gz AEEUDXOKEJLQNM-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1conc1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046756503 1235153292 /nfs/dbraw/zinc/15/32/92/1235153292.db2.gz AEEUDXOKEJLQNM-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](Cc3nc(C)cs3)C2)cn1 ZINC001046782748 1235180994 /nfs/dbraw/zinc/18/09/94/1235180994.db2.gz FLYMSNNLZAMSKU-GOSISDBHSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](Cc3nc(C)cs3)C2)cn1 ZINC001046782748 1235180997 /nfs/dbraw/zinc/18/09/97/1235180997.db2.gz FLYMSNNLZAMSKU-GOSISDBHSA-N 1 2 340.452 2.222 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC001046815661 1235214090 /nfs/dbraw/zinc/21/40/90/1235214090.db2.gz ZGRHONLMLIPIGO-FUHWJXTLSA-N 1 2 334.847 2.461 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC001046815661 1235214092 /nfs/dbraw/zinc/21/40/92/1235214092.db2.gz ZGRHONLMLIPIGO-FUHWJXTLSA-N 1 2 334.847 2.461 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001046858474 1235255413 /nfs/dbraw/zinc/25/54/13/1235255413.db2.gz OQOOABTZQCETJO-QGZVFWFLSA-N 1 2 347.850 2.223 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001046858474 1235255415 /nfs/dbraw/zinc/25/54/15/1235255415.db2.gz OQOOABTZQCETJO-QGZVFWFLSA-N 1 2 347.850 2.223 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2nc(CC3CC3)no2)[C@@H](C)C1 ZINC001054975648 1249501060 /nfs/dbraw/zinc/50/10/60/1249501060.db2.gz FKTRFHPVMYKVEI-JSGCOSHPSA-N 1 2 332.448 2.171 20 30 EEEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)s2)C1 ZINC001047645511 1236339584 /nfs/dbraw/zinc/33/95/84/1236339584.db2.gz VLVTXFPQWQCUPX-UWVGGRQHSA-N 1 2 334.363 2.070 20 30 EEEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)s2)C1 ZINC001047645511 1236339588 /nfs/dbraw/zinc/33/95/88/1236339588.db2.gz VLVTXFPQWQCUPX-UWVGGRQHSA-N 1 2 334.363 2.070 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)CCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001067779090 1249584425 /nfs/dbraw/zinc/58/44/25/1249584425.db2.gz NLHORQDBBGIKNZ-UHFFFAOYSA-N 1 2 342.443 2.467 20 30 EEEDLO C[C@@H](CC(=O)N[C@@H]1CCN(c2cccc(F)c2C#N)C1)n1cc[nH+]c1 ZINC001096487812 1240102777 /nfs/dbraw/zinc/10/27/77/1240102777.db2.gz CJMITCIURWZUFD-UONOGXRCSA-N 1 2 341.390 2.240 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)c2cc(C)no2)CC1 ZINC001000420854 1240293351 /nfs/dbraw/zinc/29/33/51/1240293351.db2.gz PNWCKTSIRTUQRP-UHFFFAOYSA-N 1 2 340.221 2.254 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)c2cc(C)no2)CC1 ZINC001000420854 1240293361 /nfs/dbraw/zinc/29/33/61/1240293361.db2.gz PNWCKTSIRTUQRP-UHFFFAOYSA-N 1 2 340.221 2.254 20 30 EEEDLO Cc1cc(N2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC001049248753 1240378767 /nfs/dbraw/zinc/37/87/67/1240378767.db2.gz LZJLDJPZTJAKGT-BMFZPTHFSA-N 1 2 341.459 2.353 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@H]2CCCCO2)CC1 ZINC001000570240 1240531656 /nfs/dbraw/zinc/53/16/56/1240531656.db2.gz UQHQMKUCQVHVGB-CQSZACIVSA-N 1 2 343.265 2.212 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCCCO2)CC1 ZINC001000570240 1240531657 /nfs/dbraw/zinc/53/16/57/1240531657.db2.gz UQHQMKUCQVHVGB-CQSZACIVSA-N 1 2 343.265 2.212 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+]2CC=C(CNC(=O)c3ccc(C#N)[nH]3)CC2)o1 ZINC001000594405 1240563545 /nfs/dbraw/zinc/56/35/45/1240563545.db2.gz OUHMFGXRWJAQOF-ZDUSSCGKSA-N 1 2 339.399 2.306 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+]2CC=C(CNC(=O)c3ccc(C#N)[nH]3)CC2)o1 ZINC001000594405 1240563547 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EEEDLO C=CC[NH+]1CCN(C(=O)c2cc3ccc(Br)cn3n2)CC1 ZINC001153129435 1316781668 /nfs/dbraw/zinc/78/16/68/1316781668.db2.gz WKTCFRQBWCBLIY-UHFFFAOYSA-N 1 2 349.232 2.041 20 30 EEEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1cncn1C ZINC001154189586 1316986624 /nfs/dbraw/zinc/98/66/24/1316986624.db2.gz FEDUDLSANRLOCX-CYBMUJFWSA-N 1 2 343.406 2.071 20 30 EEEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1cncn1C ZINC001154189586 1316986625 /nfs/dbraw/zinc/98/66/25/1316986625.db2.gz FEDUDLSANRLOCX-CYBMUJFWSA-N 1 2 343.406 2.071 20 30 EEEDLO COC(=O)c1scc(C#N)c1NC(=O)c1cccc2[nH+]ccn21 ZINC001154517511 1317177320 /nfs/dbraw/zinc/17/73/20/1317177320.db2.gz IOZTXPXJABIQIS-UHFFFAOYSA-N 1 2 326.337 2.306 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nccc(C)n2)cc1 ZINC001154561594 1317206325 /nfs/dbraw/zinc/20/63/25/1317206325.db2.gz GWAOYDLRCJUDKU-MRXNPFEDSA-N 1 2 336.439 2.407 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nccc(C)n2)cc1 ZINC001154561594 1317206334 /nfs/dbraw/zinc/20/63/34/1317206334.db2.gz GWAOYDLRCJUDKU-MRXNPFEDSA-N 1 2 336.439 2.407 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ncc(-c3cccs3)o2)C[C@H]1C ZINC001206659519 1317836318 /nfs/dbraw/zinc/83/63/18/1317836318.db2.gz MCOPAFLRUBTESG-JHJVBQTASA-N 1 2 344.440 2.499 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(-c3cccs3)o2)C[C@H]1C ZINC001206659519 1317836326 /nfs/dbraw/zinc/83/63/26/1317836326.db2.gz MCOPAFLRUBTESG-JHJVBQTASA-N 1 2 344.440 2.499 20 30 EEEDLO N#CCc1cc[nH+]c(N2CCCN(C(=O)Cc3ccccc3)CC2)c1 ZINC001156081285 1317868047 /nfs/dbraw/zinc/86/80/47/1317868047.db2.gz UWSDQTUEUDMMBN-UHFFFAOYSA-N 1 2 334.423 2.429 20 30 EEEDLO N#Cc1c[nH]c2nc(N3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)ncc12 ZINC001158621190 1319339012 /nfs/dbraw/zinc/33/90/12/1319339012.db2.gz DQGGJBZZFBGPMK-CYBMUJFWSA-N 1 2 332.358 2.139 20 30 EEEDLO CCc1nc(C#N)c(C#N)nc1N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001158628789 1319343548 /nfs/dbraw/zinc/34/35/48/1319343548.db2.gz OLUYRDXNNFTYEB-OAHLLOKOSA-N 1 2 346.385 2.092 20 30 EEEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC001258905921 1319370374 /nfs/dbraw/zinc/37/03/74/1319370374.db2.gz JNULUWOBLKNEQW-UHFFFAOYSA-N 1 2 348.255 2.260 20 30 EEEDLO N#Cc1cc(S(=O)(=O)NCc2c[nH+]cn2CC2CCC2)ccc1F ZINC001259422387 1319564811 /nfs/dbraw/zinc/56/48/11/1319564811.db2.gz XGIIVCWTKSBIHD-UHFFFAOYSA-N 1 2 348.403 2.172 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2cn(C)nn2)CC1 ZINC001160967593 1320336004 /nfs/dbraw/zinc/33/60/04/1320336004.db2.gz KZKZLIOJHSWOHT-OAHLLOKOSA-N 1 2 331.464 2.056 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2cn(C)nn2)CC1 ZINC001160967593 1320336006 /nfs/dbraw/zinc/33/60/06/1320336006.db2.gz KZKZLIOJHSWOHT-OAHLLOKOSA-N 1 2 331.464 2.056 20 30 EEEDLO C#CCCCC(=O)NCCC1(C[NH2+]Cc2noc(CCC)n2)CC1 ZINC001164291342 1321340714 /nfs/dbraw/zinc/34/07/14/1321340714.db2.gz PMLJAHCBUFRZGL-UHFFFAOYSA-N 1 2 332.448 2.202 20 30 EEEDLO N#Cc1cc2c(nc1N1CCc3onc(Cn4cc[nH+]c4)c3C1)CCC2 ZINC001165547765 1321543657 /nfs/dbraw/zinc/54/36/57/1321543657.db2.gz OSKRZMCVJKORMF-UHFFFAOYSA-N 1 2 346.394 2.237 20 30 EEEDLO N#Cc1cnc(Cl)cc1N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001165547308 1321543819 /nfs/dbraw/zinc/54/38/19/1321543819.db2.gz OWRFRJACCXDHQG-UHFFFAOYSA-N 1 2 340.774 2.402 20 30 EEEDLO N#CCc1cc[nH+]c(N2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)c1 ZINC001166121235 1321658110 /nfs/dbraw/zinc/65/81/10/1321658110.db2.gz JEQAJSWAVMETNK-QGZVFWFLSA-N 1 2 347.422 2.185 20 30 EEEDLO N#CCc1cc[nH+]c(N2CC[C@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c1 ZINC001166269733 1321690038 /nfs/dbraw/zinc/69/00/38/1321690038.db2.gz NXPKHQHRTRBDGQ-PXNSSMCTSA-N 1 2 347.422 2.075 20 30 EEEDLO C=CC(C)(C)C(=O)NCCC1(C[NH2+]Cc2nnn(C(C)(C)C)n2)CC1 ZINC001166579602 1321744260 /nfs/dbraw/zinc/74/42/60/1321744260.db2.gz LAXBAUVJQPCVCA-UHFFFAOYSA-N 1 2 348.495 2.016 20 30 EEEDLO COCCOCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)c(Cl)c1 ZINC001276436500 1322020562 /nfs/dbraw/zinc/02/05/62/1322020562.db2.gz QLHGODUGPVWDIJ-CALCHBBNSA-N 1 2 349.862 2.481 20 30 EEEDLO COCCOCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(Cl)c1 ZINC001276436500 1322020567 /nfs/dbraw/zinc/02/05/67/1322020567.db2.gz QLHGODUGPVWDIJ-CALCHBBNSA-N 1 2 349.862 2.481 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@](C)(CC)C1 ZINC001262957545 1322405772 /nfs/dbraw/zinc/40/57/72/1322405772.db2.gz XWBKOYDUDPAKML-IBGZPJMESA-N 1 2 347.507 2.295 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCC3(F)F)n2CC2CC2)CC1 ZINC001263669003 1322501297 /nfs/dbraw/zinc/50/12/97/1322501297.db2.gz BWGMPWWBJHBCSF-OAHLLOKOSA-N 1 2 349.429 2.346 20 30 EEEDLO CCC(CC)n1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)n1 ZINC001206647247 1323552956 /nfs/dbraw/zinc/55/29/56/1323552956.db2.gz QDPOSZDQXQPYNZ-CKEIUWERSA-N 1 2 331.464 2.340 20 30 EEEDLO CCC(CC)n1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C)C#N)C2)n1 ZINC001206647247 1323552959 /nfs/dbraw/zinc/55/29/59/1323552959.db2.gz QDPOSZDQXQPYNZ-CKEIUWERSA-N 1 2 331.464 2.340 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001206914585 1323697741 /nfs/dbraw/zinc/69/77/41/1323697741.db2.gz KKGICIZRNJNMAM-HCKVZZMMSA-N 1 2 343.880 2.060 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001206914585 1323697742 /nfs/dbraw/zinc/69/77/42/1323697742.db2.gz KKGICIZRNJNMAM-HCKVZZMMSA-N 1 2 343.880 2.060 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2nccs2)C[C@H]1C)OCC ZINC001207254864 1323915830 /nfs/dbraw/zinc/91/58/30/1323915830.db2.gz BUKRNRUPUYBNBQ-RBSFLKMASA-N 1 2 337.489 2.451 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]1C)OCC ZINC001207254864 1323915835 /nfs/dbraw/zinc/91/58/35/1323915835.db2.gz BUKRNRUPUYBNBQ-RBSFLKMASA-N 1 2 337.489 2.451 20 30 EEEDLO Cc1ccc(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)N[C@@H](C)c2ncc[nH]2)cc1C#N ZINC001279754422 1323991292 /nfs/dbraw/zinc/99/12/92/1323991292.db2.gz DYYOSXUVOYCQLP-NQYLQCIDSA-N 1 2 349.438 2.432 20 30 EEEDLO Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N[C@@H](C)c2ncc[nH]2)cc1C#N ZINC001279754422 1323991294 /nfs/dbraw/zinc/99/12/94/1323991294.db2.gz DYYOSXUVOYCQLP-NQYLQCIDSA-N 1 2 349.438 2.432 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)cc(F)cc1C ZINC001316599314 1324017893 /nfs/dbraw/zinc/01/78/93/1324017893.db2.gz BPIQGMJMGASXDC-KRWDZBQOSA-N 1 2 332.419 2.239 20 30 EEEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)cc(F)cc1C ZINC001316599314 1324017900 /nfs/dbraw/zinc/01/79/00/1324017900.db2.gz BPIQGMJMGASXDC-KRWDZBQOSA-N 1 2 332.419 2.239 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001208011267 1324264221 /nfs/dbraw/zinc/26/42/21/1324264221.db2.gz ZELUXZAABHOYTQ-CQSZACIVSA-N 1 2 346.475 2.497 20 30 EEEDLO C#CCC1(C(=O)N2CCC[C@H]([NH2+]Cc3nc(C4CC4)no3)C2)CCC1 ZINC001208319804 1324422001 /nfs/dbraw/zinc/42/20/01/1324422001.db2.gz ZUADCQNGCIZOHV-HNNXBMFYSA-N 1 2 342.443 2.221 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2cccs2)C[C@H]1C ZINC001208458328 1324507582 /nfs/dbraw/zinc/50/75/82/1324507582.db2.gz DFNZKESTIRTDCR-GDBMZVCRSA-N 1 2 349.500 2.157 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)NCc2cccs2)C[C@H]1C ZINC001208458328 1324507584 /nfs/dbraw/zinc/50/75/84/1324507584.db2.gz DFNZKESTIRTDCR-GDBMZVCRSA-N 1 2 349.500 2.157 20 30 EEEDLO CC#CCCCC(=O)N1CCC[C@H]([NH2+]Cc2nc([C@@H](C)OC)no2)C1 ZINC001209111189 1324803621 /nfs/dbraw/zinc/80/36/21/1324803621.db2.gz MLIMXPGIQIRXGE-CABCVRRESA-N 1 2 348.447 2.051 20 30 EEEDLO CC#CCCCC(=O)N1CCC[C@H]([NH2+]Cc2nc(C(C)C)no2)C1 ZINC001209147465 1324822702 /nfs/dbraw/zinc/82/27/02/1324822702.db2.gz XJTVJPYLJWKEAP-HNNXBMFYSA-N 1 2 332.448 2.467 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001209375477 1324914715 /nfs/dbraw/zinc/91/47/15/1324914715.db2.gz UCAIVDPTKOZQIF-OAHLLOKOSA-N 1 2 332.448 2.459 20 30 EEEDLO COc1ccc2oc(C[NH+]3CCN(c4nccnc4C#N)CC3)cc2c1 ZINC001209772450 1325040671 /nfs/dbraw/zinc/04/06/71/1325040671.db2.gz PLPQJCNRGSIAHF-UHFFFAOYSA-N 1 2 349.394 2.425 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1cccc2n[nH]nc21 ZINC001319998834 1332808497 /nfs/dbraw/zinc/80/84/97/1332808497.db2.gz FBCAOOSRRDTSCI-UHFFFAOYSA-N 1 2 348.410 2.034 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1cccc2n[nH]nc21 ZINC001319998834 1332808502 /nfs/dbraw/zinc/80/85/02/1332808502.db2.gz FBCAOOSRRDTSCI-UHFFFAOYSA-N 1 2 348.410 2.034 20 30 EEEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001339707663 1337057855 /nfs/dbraw/zinc/05/78/55/1337057855.db2.gz RXJPMOCFABEUBR-AEFFLSMTSA-N 1 2 342.439 2.031 20 30 EEEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001339707663 1337057858 /nfs/dbraw/zinc/05/78/58/1337057858.db2.gz RXJPMOCFABEUBR-AEFFLSMTSA-N 1 2 342.439 2.031 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC001340297591 1337154362 /nfs/dbraw/zinc/15/43/62/1337154362.db2.gz PEQOWNFZAHOXJH-DOTOQJQBSA-N 1 2 345.491 2.454 20 30 EEEDLO CC[C@H](C(=O)[C@@H](C#N)C(=O)Nc1cccc(OC)c1)[NH+](CC)CC ZINC001343365273 1337333137 /nfs/dbraw/zinc/33/31/37/1337333137.db2.gz HPOBCOWZSASCEY-HZPDHXFCSA-N 1 2 331.416 2.463 20 30 EEEDLO CC[C@H](C(=O)C(C#N)C(=O)Nc1cccc(OC)c1)[NH+](CC)CC ZINC001343365273 1337333138 /nfs/dbraw/zinc/33/31/38/1337333138.db2.gz HPOBCOWZSASCEY-HZPDHXFCSA-N 1 2 331.416 2.463 20 30 EEEDLO Cc1c(C#N)cccc1C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC001346209612 1337480949 /nfs/dbraw/zinc/48/09/49/1337480949.db2.gz ULRZFNHPGGAHDV-UHFFFAOYSA-N 1 2 348.410 2.139 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)CCC1CC1 ZINC001351544520 1337824389 /nfs/dbraw/zinc/82/43/89/1337824389.db2.gz PRMJLBBZAFBATQ-MRXNPFEDSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)CCC1CC1 ZINC001351544520 1337824393 /nfs/dbraw/zinc/82/43/93/1337824393.db2.gz PRMJLBBZAFBATQ-MRXNPFEDSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCOCC2(CCC2)C1 ZINC001351656709 1337834632 /nfs/dbraw/zinc/83/46/32/1337834632.db2.gz KPIGONTTZDBUDP-UHFFFAOYSA-N 1 2 345.491 2.457 20 30 EEEDLO C=CCN(C)c1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1CC ZINC001356491737 1338825890 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Cc1cnc(C[N@@H+]2CCC[C@@H](NC(=O)CSCC#N)[C@@H]2C)s1 ZINC001755713669 1407768193 /nfs/dbraw/zinc/76/81/93/1407768193.db2.gz BVVSLWPWOGPJFW-QWHCGFSZSA-N 1 2 338.502 2.177 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC001755848562 1407899678 /nfs/dbraw/zinc/89/96/78/1407899678.db2.gz UHLKJEYNGZJDEY-HNNXBMFYSA-N 1 2 332.448 2.370 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)COCC2CC2)CC1 ZINC001755880907 1407936110 /nfs/dbraw/zinc/93/61/10/1407936110.db2.gz HFGPLYCDPYRXBO-UHFFFAOYSA-N 1 2 343.265 2.070 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)COCC2CC2)CC1 ZINC001755880907 1407936117 /nfs/dbraw/zinc/93/61/17/1407936117.db2.gz HFGPLYCDPYRXBO-UHFFFAOYSA-N 1 2 343.265 2.070 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001756054605 1408108463 /nfs/dbraw/zinc/10/84/63/1408108463.db2.gz QOMDCLVPYRFCNQ-ZDUSSCGKSA-N 1 2 328.416 2.123 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC1=CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001756768720 1409302619 /nfs/dbraw/zinc/30/26/19/1409302619.db2.gz 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Cc1ccc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1C#N ZINC001165011386 721702696 /nfs/dbraw/zinc/70/26/96/721702696.db2.gz RQYVUFLAVSQADR-UHFFFAOYSA-N 1 2 339.447 2.104 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001063145745 790270496 /nfs/dbraw/zinc/27/04/96/790270496.db2.gz AVBGZAKYOCFDTI-ZACQAIPSSA-N 1 2 344.459 2.193 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000942358270 782278578 /nfs/dbraw/zinc/27/85/78/782278578.db2.gz POELJIIQUOEJRD-CQSZACIVSA-N 1 2 338.411 2.250 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC(C)C)CCC1)C2 ZINC001109509508 805582727 /nfs/dbraw/zinc/58/27/27/805582727.db2.gz GCJOWVTVIBEZRN-IKGGRYGDSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC(C)C)CCC1)C2 ZINC001109509508 805582733 /nfs/dbraw/zinc/58/27/33/805582733.db2.gz GCJOWVTVIBEZRN-IKGGRYGDSA-N 1 2 347.503 2.227 20 30 EEEDLO C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)CNc1ncccc1C#N ZINC001104263594 757775850 /nfs/dbraw/zinc/77/58/50/757775850.db2.gz MYYUVFRCKVYHOE-LBPRGKRZSA-N 1 2 334.383 2.308 20 30 EEEDLO CC(C)N(CCN(C)c1cccc(F)c1C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001125579812 760252897 /nfs/dbraw/zinc/25/28/97/760252897.db2.gz ULVGHDUJJJTXDT-UHFFFAOYSA-N 1 2 343.406 2.336 20 30 EEEDLO C=CC(C)(C)C(=O)NCC1(Nc2[nH+]cnc3c2cnn3C)CCCC1 ZINC001104419997 760467313 /nfs/dbraw/zinc/46/73/13/760467313.db2.gz OYAUFVYXAGQTOV-UHFFFAOYSA-N 1 2 342.447 2.416 20 30 EEEDLO Cc1nc(NC[C@@H](C)N(C)C(=O)CSCC#N)c2c([nH+]1)CCCC2 ZINC001104464143 760957754 /nfs/dbraw/zinc/95/77/54/760957754.db2.gz PDIGVRLUMCYGEV-GFCCVEGCSA-N 1 2 347.488 2.179 20 30 EEEDLO CC1(C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]2CCCN(CC#N)[C@H]21 ZINC001087292745 761497713 /nfs/dbraw/zinc/49/77/13/761497713.db2.gz QLEAPRCZWXISME-KBRIMQKVSA-N 1 2 337.427 2.305 20 30 EEEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4cc(C)ccc4o3)[C@H]2C1 ZINC001083283961 764973502 /nfs/dbraw/zinc/97/35/02/764973502.db2.gz FIHCVYUJIUHXDC-MAUKXSAKSA-N 1 2 326.396 2.452 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4cc(C)ccc4o3)[C@H]2C1 ZINC001083283961 764973506 /nfs/dbraw/zinc/97/35/06/764973506.db2.gz FIHCVYUJIUHXDC-MAUKXSAKSA-N 1 2 326.396 2.452 20 30 EEEDLO Cc1cc(C#N)nc(NC[C@@H](C)N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)n1 ZINC001104866297 765466832 /nfs/dbraw/zinc/46/68/32/765466832.db2.gz ZUIUPWMBWWHIAE-GFCCVEGCSA-N 1 2 349.398 2.106 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](CNc2cc[nH+]c(C)n2)CC(C)C)cn1 ZINC001104955630 765659184 /nfs/dbraw/zinc/65/91/84/765659184.db2.gz FNFJZJPHADLFCQ-KRWDZBQOSA-N 1 2 337.427 2.418 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4c[nH]nc43)C[C@@H]2C1 ZINC001087967012 782661951 /nfs/dbraw/zinc/66/19/51/782661951.db2.gz FGKQLOWHHDCILL-PMPSAXMXSA-N 1 2 348.878 2.362 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4c[nH]nc43)C[C@@H]2C1 ZINC001087967012 782661955 /nfs/dbraw/zinc/66/19/55/782661955.db2.gz FGKQLOWHHDCILL-PMPSAXMXSA-N 1 2 348.878 2.362 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC001032028803 782695144 /nfs/dbraw/zinc/69/51/44/782695144.db2.gz BZXRWEMLBTXXQQ-UHFFFAOYSA-N 1 2 331.803 2.355 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H](CC(C)C)NC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001104996671 768818906 /nfs/dbraw/zinc/81/89/06/768818906.db2.gz FOYLVFLTJMWZCH-INIZCTEOSA-N 1 2 340.431 2.170 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncccn3)C[C@@H]2C)cc1 ZINC000942553543 782717062 /nfs/dbraw/zinc/71/70/62/782717062.db2.gz QUJDXVBNLPQZPS-YJBOKZPZSA-N 1 2 334.423 2.098 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncccn3)C[C@@H]2C)cc1 ZINC000942553543 782717069 /nfs/dbraw/zinc/71/70/69/782717069.db2.gz QUJDXVBNLPQZPS-YJBOKZPZSA-N 1 2 334.423 2.098 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)c1ccccc1O ZINC001031553785 769589001 /nfs/dbraw/zinc/58/90/01/769589001.db2.gz AVIZQEUKNRPDPE-UHFFFAOYSA-N 1 2 338.382 2.245 20 30 EEEDLO CC(C)[C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)Nc1ccc(C#N)nc1 ZINC001105290147 769595455 /nfs/dbraw/zinc/59/54/55/769595455.db2.gz BNIGWFYORONRTJ-CXAGYDPISA-N 1 2 340.431 2.108 20 30 EEEDLO CC(C)[C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)Nc1ccc(C#N)nc1 ZINC001105290147 769595464 /nfs/dbraw/zinc/59/54/64/769595464.db2.gz BNIGWFYORONRTJ-CXAGYDPISA-N 1 2 340.431 2.108 20 30 EEEDLO CC(C)[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)Nc1ccc(C#N)cn1 ZINC001105292055 769603277 /nfs/dbraw/zinc/60/32/77/769603277.db2.gz YNIJGJRRKSCMRM-CJNGLKHVSA-N 1 2 340.431 2.108 20 30 EEEDLO CC(C)[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)Nc1ccc(C#N)cn1 ZINC001105292055 769603280 /nfs/dbraw/zinc/60/32/80/769603280.db2.gz YNIJGJRRKSCMRM-CJNGLKHVSA-N 1 2 340.431 2.108 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC(n2cc(C[NH2+]C/C=C/Cl)nn2)C1 ZINC001105299093 769630722 /nfs/dbraw/zinc/63/07/22/769630722.db2.gz CKSIKYZHBGJLLF-AATRIKPKSA-N 1 2 337.855 2.106 20 30 EEEDLO Cc1nsc(NC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C)c1C#N ZINC001125943558 769692140 /nfs/dbraw/zinc/69/21/40/769692140.db2.gz ZYSAZUFEHFFQPV-CYBMUJFWSA-N 1 2 346.460 2.163 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NCC2C[NH+](Cc3cccc(F)c3F)C2)c1 ZINC001031603572 770099860 /nfs/dbraw/zinc/09/98/60/770099860.db2.gz SSGDDPMPCYYPFG-UHFFFAOYSA-N 1 2 330.338 2.026 20 30 EEEDLO Cc1[nH]ccc1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031606069 770124048 /nfs/dbraw/zinc/12/40/48/770124048.db2.gz WHXJVJJUWUKAKN-UHFFFAOYSA-N 1 2 326.375 2.196 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(CC)nn3)C[C@H]2C)CC1 ZINC000942599522 782821985 /nfs/dbraw/zinc/82/19/85/782821985.db2.gz BCLXSQJYVACJOG-CRAIPNDOSA-N 1 2 345.491 2.371 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cn(CC)nn3)C[C@H]2C)CC1 ZINC000942599522 782821988 /nfs/dbraw/zinc/82/19/88/782821988.db2.gz BCLXSQJYVACJOG-CRAIPNDOSA-N 1 2 345.491 2.371 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CCCCO1 ZINC001031617715 770279193 /nfs/dbraw/zinc/27/91/93/770279193.db2.gz NZOPQWBMCWEYIN-SFHVURJKSA-N 1 2 346.858 2.309 20 30 EEEDLO CCc1nc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)co1 ZINC001031624579 770411214 /nfs/dbraw/zinc/41/12/14/770411214.db2.gz YXCMIYRKOGGYRU-UHFFFAOYSA-N 1 2 342.374 2.110 20 30 EEEDLO Cc1nscc1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031625333 770415748 /nfs/dbraw/zinc/41/57/48/770415748.db2.gz WYJVXZSAFJQEIG-UHFFFAOYSA-N 1 2 326.425 2.185 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cccc(Cl)n2)c1 ZINC001027813735 770486906 /nfs/dbraw/zinc/48/69/06/770486906.db2.gz ZUCUACWHUOBDDU-AWEZNQCLSA-N 1 2 343.818 2.329 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cccc(Cl)n2)c1 ZINC001027813735 770486909 /nfs/dbraw/zinc/48/69/09/770486909.db2.gz ZUCUACWHUOBDDU-AWEZNQCLSA-N 1 2 343.818 2.329 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(CC)o3)C[C@H]2C)C1 ZINC000942607286 782847102 /nfs/dbraw/zinc/84/71/02/782847102.db2.gz BWXNWGRIERUFAJ-ZIAGYGMSSA-N 1 2 332.448 2.315 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(CC)o3)C[C@H]2C)C1 ZINC000942607286 782847107 /nfs/dbraw/zinc/84/71/07/782847107.db2.gz BWXNWGRIERUFAJ-ZIAGYGMSSA-N 1 2 332.448 2.315 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001027831131 770940071 /nfs/dbraw/zinc/94/00/71/770940071.db2.gz MOUSJSRBMPFBJH-AWEZNQCLSA-N 1 2 341.415 2.392 20 30 EEEDLO CC(C)c1ocnc1C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001027831131 770940081 /nfs/dbraw/zinc/94/00/81/770940081.db2.gz MOUSJSRBMPFBJH-AWEZNQCLSA-N 1 2 341.415 2.392 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1C(=O)CC ZINC001027903047 774185528 /nfs/dbraw/zinc/18/55/28/774185528.db2.gz CEEHRRVGKQJSOI-LSDHHAIUSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1C(=O)CC ZINC001027903047 774185530 /nfs/dbraw/zinc/18/55/30/774185530.db2.gz CEEHRRVGKQJSOI-LSDHHAIUSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC000938715767 774455659 /nfs/dbraw/zinc/45/56/59/774455659.db2.gz XBKMDOVJCVPGSY-QGZVFWFLSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC000938715767 774455662 /nfs/dbraw/zinc/45/56/62/774455662.db2.gz XBKMDOVJCVPGSY-QGZVFWFLSA-N 1 2 344.459 2.148 20 30 EEEDLO N#CC[C@@H](O)C[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000809573278 783197005 /nfs/dbraw/zinc/19/70/05/783197005.db2.gz GMCHAFHBKYAWSI-QGZVFWFLSA-N 1 2 342.468 2.202 20 30 EEEDLO CCN(c1cccc(F)c1C#N)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001089767782 774955570 /nfs/dbraw/zinc/95/55/70/774955570.db2.gz XCSUEJGGBBNEBX-CYBMUJFWSA-N 1 2 343.406 2.384 20 30 EEEDLO CCN(c1cccc(F)c1C#N)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001089767782 774955578 /nfs/dbraw/zinc/95/55/78/774955578.db2.gz XCSUEJGGBBNEBX-CYBMUJFWSA-N 1 2 343.406 2.384 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001027966929 775309514 /nfs/dbraw/zinc/30/95/14/775309514.db2.gz YHNXRWOKJGILMJ-TZMCWYRMSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001027966929 775309523 /nfs/dbraw/zinc/30/95/23/775309523.db2.gz YHNXRWOKJGILMJ-TZMCWYRMSA-N 1 2 336.867 2.412 20 30 EEEDLO N#Cc1c(F)cccc1N1CCCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001063203878 790364874 /nfs/dbraw/zinc/36/48/74/790364874.db2.gz SUUFXYNBYVWYAA-ZDUSSCGKSA-N 1 2 341.390 2.138 20 30 EEEDLO Cc1nc(N[C@H]2C[C@@H](CNC(=O)C#CC3CC3)C2)c2c([nH+]1)CCCC2 ZINC001091342332 790375786 /nfs/dbraw/zinc/37/57/86/790375786.db2.gz PRVOSWCAMQEAHC-IYBDPMFKSA-N 1 2 338.455 2.384 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cocn3)CC2)cc1F ZINC000980831026 775749448 /nfs/dbraw/zinc/74/94/48/775749448.db2.gz KMMZHHKORAJBON-UHFFFAOYSA-N 1 2 328.347 2.033 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cocn3)CC2)cc1F ZINC000980831026 775749453 /nfs/dbraw/zinc/74/94/53/775749453.db2.gz KMMZHHKORAJBON-UHFFFAOYSA-N 1 2 328.347 2.033 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)CC2CCOCC2)CC1 ZINC000980872920 775867301 /nfs/dbraw/zinc/86/73/01/775867301.db2.gz CSJLOUHSCYHSRJ-UHFFFAOYSA-N 1 2 341.455 2.409 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)CC2CCOCC2)CC1 ZINC000980872920 775867312 /nfs/dbraw/zinc/86/73/12/775867312.db2.gz CSJLOUHSCYHSRJ-UHFFFAOYSA-N 1 2 341.455 2.409 20 30 EEEDLO C=C(C)CCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCC1 ZINC001063260451 790462339 /nfs/dbraw/zinc/46/23/39/790462339.db2.gz YZANQXMNHZRXPH-HUUCEWRRSA-N 1 2 344.459 2.035 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cn3c(n2)CCC3)CC1 ZINC000981190894 776756062 /nfs/dbraw/zinc/75/60/62/776756062.db2.gz LLCFSHSYYYZTDD-UHFFFAOYSA-N 1 2 349.438 2.049 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cn3c(n2)CCC3)CC1 ZINC000981190894 776756066 /nfs/dbraw/zinc/75/60/66/776756066.db2.gz LLCFSHSYYYZTDD-UHFFFAOYSA-N 1 2 349.438 2.049 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc2c(c1)c(C)nn2C ZINC001028061681 776918616 /nfs/dbraw/zinc/91/86/16/776918616.db2.gz XTRYEJSLZGLWRC-CQSZACIVSA-N 1 2 347.850 2.223 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2c(c1)c(C)nn2C ZINC001028061681 776918618 /nfs/dbraw/zinc/91/86/18/776918618.db2.gz XTRYEJSLZGLWRC-CQSZACIVSA-N 1 2 347.850 2.223 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(CC)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106915136 777027931 /nfs/dbraw/zinc/02/79/31/777027931.db2.gz ARDCCXKUMIXQMY-AWEZNQCLSA-N 1 2 334.468 2.109 20 30 EEEDLO C[C@H]1C[C@H](C(=O)N2CCC[N@H+](CC#Cc3ccc(F)cc3)CC2)CO1 ZINC000981488324 777504496 /nfs/dbraw/zinc/50/44/96/777504496.db2.gz WRCRNRISLQEOKL-WMZOPIPTSA-N 1 2 344.430 2.137 20 30 EEEDLO C[C@H]1C[C@H](C(=O)N2CCC[N@@H+](CC#Cc3ccc(F)cc3)CC2)CO1 ZINC000981488324 777504502 /nfs/dbraw/zinc/50/45/02/777504502.db2.gz WRCRNRISLQEOKL-WMZOPIPTSA-N 1 2 344.430 2.137 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccccc3C#N)CC2)CO1 ZINC000981490980 777512279 /nfs/dbraw/zinc/51/22/79/777512279.db2.gz OEEWHABXWDTLIT-CRAIPNDOSA-N 1 2 327.428 2.018 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)CO1 ZINC000981490980 777512284 /nfs/dbraw/zinc/51/22/84/777512284.db2.gz OEEWHABXWDTLIT-CRAIPNDOSA-N 1 2 327.428 2.018 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cc(F)c[nH]3)C2)c(F)c1 ZINC001031856452 777537616 /nfs/dbraw/zinc/53/76/16/777537616.db2.gz ZVIMMCFDOHDRAG-UHFFFAOYSA-N 1 2 330.338 2.026 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)c3ccon3)C2)C1 ZINC000981646119 777906664 /nfs/dbraw/zinc/90/66/64/777906664.db2.gz QAYUTCFCKDLPMZ-UHFFFAOYSA-N 1 2 340.221 2.121 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)c3ccon3)C2)C1 ZINC000981646119 777906666 /nfs/dbraw/zinc/90/66/66/777906666.db2.gz QAYUTCFCKDLPMZ-UHFFFAOYSA-N 1 2 340.221 2.121 20 30 EEEDLO C[C@@H]1OCC[C@]1(C)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000981675022 777960398 /nfs/dbraw/zinc/96/03/98/777960398.db2.gz CMELCNYJXCPKCJ-JXFKEZNVSA-N 1 2 341.455 2.408 20 30 EEEDLO C[C@@H]1OCC[C@]1(C)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000981675022 777960408 /nfs/dbraw/zinc/96/04/08/777960408.db2.gz CMELCNYJXCPKCJ-JXFKEZNVSA-N 1 2 341.455 2.408 20 30 EEEDLO Cc1ncc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)n1C ZINC000981824308 778281210 /nfs/dbraw/zinc/28/12/10/778281210.db2.gz HPENLDLZAKAZAB-UHFFFAOYSA-N 1 2 343.456 2.010 20 30 EEEDLO Cc1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)n1C ZINC000981824308 778281216 /nfs/dbraw/zinc/28/12/16/778281216.db2.gz HPENLDLZAKAZAB-UHFFFAOYSA-N 1 2 343.456 2.010 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981992767 778799883 /nfs/dbraw/zinc/79/98/83/778799883.db2.gz HLPVDTIAKUBDDV-UXHICEINSA-N 1 2 338.451 2.164 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981992767 778799886 /nfs/dbraw/zinc/79/98/86/778799886.db2.gz HLPVDTIAKUBDDV-UXHICEINSA-N 1 2 338.451 2.164 20 30 EEEDLO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3C#N)CC2)nc(C)n1 ZINC000982205010 779269200 /nfs/dbraw/zinc/26/92/00/779269200.db2.gz DGOYHHMPYIZHPX-UHFFFAOYSA-N 1 2 349.438 2.313 20 30 EEEDLO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)nc(C)n1 ZINC000982205010 779269203 /nfs/dbraw/zinc/26/92/03/779269203.db2.gz DGOYHHMPYIZHPX-UHFFFAOYSA-N 1 2 349.438 2.313 20 30 EEEDLO O=C(COc1cccnc1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000982221217 779311201 /nfs/dbraw/zinc/31/12/01/779311201.db2.gz RDLCDCYWDIXWSS-UHFFFAOYSA-N 1 2 349.434 2.046 20 30 EEEDLO O=C(COc1cccnc1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000982221217 779311204 /nfs/dbraw/zinc/31/12/04/779311204.db2.gz RDLCDCYWDIXWSS-UHFFFAOYSA-N 1 2 349.434 2.046 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2nc(C)oc2C)nc1 ZINC001028271702 779854242 /nfs/dbraw/zinc/85/42/42/779854242.db2.gz MKQXOBZEVAAOSU-INIZCTEOSA-N 1 2 338.411 2.062 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2nc(C)oc2C)nc1 ZINC001028271702 779854247 /nfs/dbraw/zinc/85/42/47/779854247.db2.gz MKQXOBZEVAAOSU-INIZCTEOSA-N 1 2 338.411 2.062 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000946292510 790807107 /nfs/dbraw/zinc/80/71/07/790807107.db2.gz JXKPQQDQOPFNMJ-HZPDHXFCSA-N 1 2 344.459 2.100 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001058975949 780809890 /nfs/dbraw/zinc/80/98/90/780809890.db2.gz TZTPGGBVCKAEFX-NSHDSACASA-N 1 2 348.838 2.155 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001087465908 781188040 /nfs/dbraw/zinc/18/80/40/781188040.db2.gz PIOYVXLWQKFLEJ-NVXWUHKLSA-N 1 2 343.406 2.108 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001087465908 781188044 /nfs/dbraw/zinc/18/80/44/781188044.db2.gz PIOYVXLWQKFLEJ-NVXWUHKLSA-N 1 2 343.406 2.108 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001087465908 781188048 /nfs/dbraw/zinc/18/80/48/781188048.db2.gz PIOYVXLWQKFLEJ-NVXWUHKLSA-N 1 2 343.406 2.108 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001087465908 781188050 /nfs/dbraw/zinc/18/80/50/781188050.db2.gz PIOYVXLWQKFLEJ-NVXWUHKLSA-N 1 2 343.406 2.108 20 30 EEEDLO C=CCCOCC(=O)N1CCC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098696358 781364090 /nfs/dbraw/zinc/36/40/90/781364090.db2.gz RPDRTLSSDUQHPM-QGZVFWFLSA-N 1 2 346.475 2.422 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccon2)[C@H]1CC ZINC001087512260 781619538 /nfs/dbraw/zinc/61/95/38/781619538.db2.gz IQEWBZWXORNLTL-CMPLNLGQSA-N 1 2 328.210 2.166 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccon2)[C@H]1CC ZINC001087512260 781619541 /nfs/dbraw/zinc/61/95/41/781619541.db2.gz IQEWBZWXORNLTL-CMPLNLGQSA-N 1 2 328.210 2.166 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](Nc3cc[nH+]c(C)n3)CC2)cn1 ZINC001063376870 790899820 /nfs/dbraw/zinc/89/98/20/790899820.db2.gz FLQAHNHLSYOLMC-QAQDUYKDSA-N 1 2 335.411 2.314 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)CSCC#N)C[N@@H+]1Cc1cc(C2CC2)no1 ZINC001131830137 783325121 /nfs/dbraw/zinc/32/51/21/783325121.db2.gz ORNBQDKOGITOHD-GXTWGEPZSA-N 1 2 348.472 2.278 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)CSCC#N)C[N@H+]1Cc1cc(C2CC2)no1 ZINC001131830137 783325133 /nfs/dbraw/zinc/32/51/33/783325133.db2.gz ORNBQDKOGITOHD-GXTWGEPZSA-N 1 2 348.472 2.278 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3snnc3C)C2)cc1 ZINC001033320574 783551870 /nfs/dbraw/zinc/55/18/70/783551870.db2.gz AYFURBFGQLUVGJ-INIZCTEOSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3snnc3C)C2)cc1 ZINC001033320574 783551878 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EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2-c2ccncc2)C1 ZINC001035418440 784497817 /nfs/dbraw/zinc/49/78/17/784497817.db2.gz DADCYLNDQVOCIS-KRWDZBQOSA-N 1 2 337.423 2.365 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2-c2ccncc2)C1 ZINC001035418440 784497822 /nfs/dbraw/zinc/49/78/22/784497822.db2.gz DADCYLNDQVOCIS-KRWDZBQOSA-N 1 2 337.423 2.365 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCc3c2cccc3Cl)C1 ZINC001035456414 784507234 /nfs/dbraw/zinc/50/72/34/784507234.db2.gz SBEVYPNOUDMWQX-XJKSGUPXSA-N 1 2 334.847 2.373 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCc3c2cccc3Cl)C1 ZINC001035456414 784507240 /nfs/dbraw/zinc/50/72/40/784507240.db2.gz SBEVYPNOUDMWQX-XJKSGUPXSA-N 1 2 334.847 2.373 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cn(CC)c3ccccc23)C1 ZINC001035440933 784532878 /nfs/dbraw/zinc/53/28/78/784532878.db2.gz XDSJYCVODFGKKN-MRXNPFEDSA-N 1 2 339.439 2.115 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cn(CC)c3ccccc23)C1 ZINC001035440933 784532881 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787435602 /nfs/dbraw/zinc/43/56/02/787435602.db2.gz LWVBMTULUBTIIS-VXGBXAGGSA-N 1 2 343.880 2.184 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001062239204 787700037 /nfs/dbraw/zinc/70/00/37/787700037.db2.gz SZZQIWVKSTUNNO-GOEBONIOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001062239204 787700048 /nfs/dbraw/zinc/70/00/48/787700048.db2.gz SZZQIWVKSTUNNO-GOEBONIOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3ccn(C)c3c2)[C@@H](O)C1 ZINC001090706113 787888371 /nfs/dbraw/zinc/88/83/71/787888371.db2.gz UBOPNBQLJRKPSX-WBVHZDCISA-N 1 2 347.846 2.096 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3ccn(C)c3c2)[C@@H](O)C1 ZINC001090706113 787888378 /nfs/dbraw/zinc/88/83/78/787888378.db2.gz UBOPNBQLJRKPSX-WBVHZDCISA-N 1 2 347.846 2.096 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(Cl)cc2)[C@H](O)C1 ZINC001090770865 788192608 /nfs/dbraw/zinc/19/26/08/788192608.db2.gz 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C=CC[C@H](C)C(=O)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001144015531 789153597 /nfs/dbraw/zinc/15/35/97/789153597.db2.gz XQUFCYAQEOKTEL-INIZCTEOSA-N 1 2 329.444 2.492 20 30 EEEDLO C=CCC1(C(=O)N2C[C@@H](C)[C@H](Nc3cc[nH+]c(C)n3)C2)CCOCC1 ZINC001090992324 789259531 /nfs/dbraw/zinc/25/95/31/789259531.db2.gz CDPSVZJMRXOGFG-GDBMZVCRSA-N 1 2 344.459 2.417 20 30 EEEDLO C=CCCOCCCCC(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001127125124 789475092 /nfs/dbraw/zinc/47/50/92/789475092.db2.gz UFCAEBFJVVXDRK-UHFFFAOYSA-N 1 2 338.452 2.162 20 30 EEEDLO C=CCCOCCCCC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001127129655 789590182 /nfs/dbraw/zinc/59/01/82/789590182.db2.gz WHAUQOVLXFWUOM-CYBMUJFWSA-N 1 2 326.466 2.068 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2sc(C)cc2OC(F)F)C1 ZINC000923575091 789809552 /nfs/dbraw/zinc/80/95/52/789809552.db2.gz HXNVBCXYXGZEQO-NSHDSACASA-N 1 2 328.384 2.485 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sc(C)cc2OC(F)F)C1 ZINC000923575091 789809557 /nfs/dbraw/zinc/80/95/57/789809557.db2.gz 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ZINC001078259265 796161742 /nfs/dbraw/zinc/16/17/42/796161742.db2.gz BNZUJMFDLFEYLC-IAGOWNOFSA-N 1 2 334.847 2.262 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)[C@H]2C)nn1 ZINC000993359345 796456818 /nfs/dbraw/zinc/45/68/18/796456818.db2.gz PUJVGNKCLBIUIL-YJBOKZPZSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)[C@H]2C)nn1 ZINC000993359345 796456823 /nfs/dbraw/zinc/45/68/23/796456823.db2.gz PUJVGNKCLBIUIL-YJBOKZPZSA-N 1 2 349.438 2.440 20 30 EEEDLO C=CCCOCC(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001110163178 796579113 /nfs/dbraw/zinc/57/91/13/796579113.db2.gz HOMFDYBRYXTKCU-UHFFFAOYSA-N 1 2 330.432 2.316 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3ccc(C(C)C)s3)CC2=O)C1 ZINC001094819212 796599062 /nfs/dbraw/zinc/59/90/62/796599062.db2.gz LUZZIPSLXXDSQJ-CYBMUJFWSA-N 1 2 347.484 2.072 20 30 EEEDLO C=CCCCC(=O)N1CCC(CN(CC)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001081116539 796657517 /nfs/dbraw/zinc/65/75/17/796657517.db2.gz QCVIQLRDKWPMIP-UHFFFAOYSA-N 1 2 346.475 2.396 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cnco2)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000993644818 796867977 /nfs/dbraw/zinc/86/79/77/796867977.db2.gz OYNZUUVIDRUWTF-BLLLJJGKSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cnco2)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000993644818 796867980 /nfs/dbraw/zinc/86/79/80/796867980.db2.gz OYNZUUVIDRUWTF-BLLLJJGKSA-N 1 2 342.374 2.468 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnn3cccnc23)[C@@H]1C ZINC000993657353 796916577 /nfs/dbraw/zinc/91/65/77/796916577.db2.gz DZKQQGGRUVMDAF-GXTWGEPZSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn3cccnc23)[C@@H]1C ZINC000993657353 796916580 /nfs/dbraw/zinc/91/65/80/796916580.db2.gz DZKQQGGRUVMDAF-GXTWGEPZSA-N 1 2 333.823 2.065 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3sccc3s2)[C@H](OC)C1 ZINC001081855565 796962550 /nfs/dbraw/zinc/96/25/50/796962550.db2.gz JYPVYBKZERKYDT-VXGBXAGGSA-N 1 2 334.466 2.415 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3sccc3s2)[C@H](OC)C1 ZINC001081855565 796962557 /nfs/dbraw/zinc/96/25/57/796962557.db2.gz JYPVYBKZERKYDT-VXGBXAGGSA-N 1 2 334.466 2.415 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](Cc3ccns3)[C@H]2C)c1 ZINC000993774754 797013749 /nfs/dbraw/zinc/01/37/49/797013749.db2.gz UBMLHQNQQXWHMF-GUYCJALGSA-N 1 2 340.452 2.302 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccns3)[C@H]2C)c1 ZINC000993774754 797013757 /nfs/dbraw/zinc/01/37/57/797013757.db2.gz UBMLHQNQQXWHMF-GUYCJALGSA-N 1 2 340.452 2.302 20 30 EEEDLO Cn1ncc2c1CC[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172988545 797182626 /nfs/dbraw/zinc/18/26/26/797182626.db2.gz CEXOBQOXYZOXFH-CABCVRRESA-N 1 2 345.447 2.070 20 30 EEEDLO Cn1ncc2c1CC[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172988545 797182629 /nfs/dbraw/zinc/18/26/29/797182629.db2.gz CEXOBQOXYZOXFH-CABCVRRESA-N 1 2 345.447 2.070 20 30 EEEDLO CCOC(=O)C[N@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172991621 797201072 /nfs/dbraw/zinc/20/10/72/797201072.db2.gz ZTKWCGWUSFXXMH-KGLIPLIRSA-N 1 2 339.436 2.163 20 30 EEEDLO CCOC(=O)C[N@@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172991621 797201076 /nfs/dbraw/zinc/20/10/76/797201076.db2.gz ZTKWCGWUSFXXMH-KGLIPLIRSA-N 1 2 339.436 2.163 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2OC)C1 ZINC001082110647 797214188 /nfs/dbraw/zinc/21/41/88/797214188.db2.gz BDPXEQMTDMVTKU-RTBURBONSA-N 1 2 338.451 2.210 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2OC)C1 ZINC001082110647 797214192 /nfs/dbraw/zinc/21/41/92/797214192.db2.gz BDPXEQMTDMVTKU-RTBURBONSA-N 1 2 338.451 2.210 20 30 EEEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001082111543 797215640 /nfs/dbraw/zinc/21/56/40/797215640.db2.gz FMJLDXBLNFXASK-UAFMIMERSA-N 1 2 340.467 2.290 20 30 EEEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001082111543 797215643 /nfs/dbraw/zinc/21/56/43/797215643.db2.gz FMJLDXBLNFXASK-UAFMIMERSA-N 1 2 340.467 2.290 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001082211609 797315389 /nfs/dbraw/zinc/31/53/89/797315389.db2.gz ZOTOHYNBFRQGKK-INIZCTEOSA-N 1 2 346.475 2.206 20 30 EEEDLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(C)(F)F)C3)cc1C#N ZINC001095092775 797335505 /nfs/dbraw/zinc/33/55/05/797335505.db2.gz UKTNMPYQJVXSMT-ILXRZTDVSA-N 1 2 349.381 2.444 20 30 EEEDLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(C)(F)F)C3)cc1C#N ZINC001095092775 797335514 /nfs/dbraw/zinc/33/55/14/797335514.db2.gz UKTNMPYQJVXSMT-ILXRZTDVSA-N 1 2 349.381 2.444 20 30 EEEDLO C=C(C)CCC(=O)N1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001061035549 797342120 /nfs/dbraw/zinc/34/21/20/797342120.db2.gz OJHYPIOOBXPOBE-UHFFFAOYSA-N 1 2 344.459 2.150 20 30 EEEDLO C=C(C)CCC(=O)N1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001061035549 797342127 /nfs/dbraw/zinc/34/21/27/797342127.db2.gz OJHYPIOOBXPOBE-UHFFFAOYSA-N 1 2 344.459 2.150 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2nccn3cc(C)nc23)[C@@H]1C ZINC000994186844 797370446 /nfs/dbraw/zinc/37/04/46/797370446.db2.gz GMOUNWTUJXYLTE-KBPBESRZSA-N 1 2 347.850 2.373 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2nccn3cc(C)nc23)[C@@H]1C ZINC000994186844 797370453 /nfs/dbraw/zinc/37/04/53/797370453.db2.gz GMOUNWTUJXYLTE-KBPBESRZSA-N 1 2 347.850 2.373 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(CC(C)(C)C)s2)[C@H](OC)C1 ZINC001082307708 797429425 /nfs/dbraw/zinc/42/94/25/797429425.db2.gz LVXNCGBMZWVSNK-ZIAGYGMSSA-N 1 2 349.500 2.184 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc(CC(C)(C)C)s2)[C@H](OC)C1 ZINC001082307708 797429426 /nfs/dbraw/zinc/42/94/26/797429426.db2.gz LVXNCGBMZWVSNK-ZIAGYGMSSA-N 1 2 349.500 2.184 20 30 EEEDLO COC(=O)CCCC[C@@H](C)[NH2+][C@H](Cc1ccc(C#N)cc1)C(=O)OC ZINC001173448403 797470739 /nfs/dbraw/zinc/47/07/39/797470739.db2.gz LENUNZCVBYRCRD-RHSMWYFYSA-N 1 2 346.427 2.354 20 30 EEEDLO Cc1ncoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001095270316 797668174 /nfs/dbraw/zinc/66/81/74/797668174.db2.gz IYQRYBYJAADZMC-UGFHNGPFSA-N 1 2 342.424 2.452 20 30 EEEDLO Cc1ncoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001095270316 797668176 /nfs/dbraw/zinc/66/81/76/797668176.db2.gz IYQRYBYJAADZMC-UGFHNGPFSA-N 1 2 342.424 2.452 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)c3nc(COC)no3)C2)C1 ZINC001082729386 797669600 /nfs/dbraw/zinc/66/96/00/797669600.db2.gz WSDUPBNMLKBZFV-HZSPNIEDSA-N 1 2 348.447 2.070 20 30 EEEDLO C#Cc1ccccc1CC(=O)NCCC[NH2+]Cc1noc(C(C)C)n1 ZINC001174674296 797828759 /nfs/dbraw/zinc/82/87/59/797828759.db2.gz RYIZOUSERZVNMO-UHFFFAOYSA-N 1 2 340.427 2.013 20 30 EEEDLO O=C(NC1CC[NH+](CC#Cc2ccccc2Cl)CC1)[C@H]1CCCO1 ZINC001002298501 797839835 /nfs/dbraw/zinc/83/98/35/797839835.db2.gz VFKAISZWXUIVOV-GOSISDBHSA-N 1 2 346.858 2.451 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC3(F)F)[C@@H]2C1 ZINC001084328848 798150613 /nfs/dbraw/zinc/15/06/13/798150613.db2.gz HQGYFAVRTMTLJP-OWCLPIDISA-N 1 2 331.366 2.246 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC3(F)F)[C@@H]2C1 ZINC001084328848 798150616 /nfs/dbraw/zinc/15/06/16/798150616.db2.gz HQGYFAVRTMTLJP-OWCLPIDISA-N 1 2 331.366 2.246 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4ccccn34)[C@@H]2C1 ZINC001084467597 798215958 /nfs/dbraw/zinc/21/59/58/798215958.db2.gz GDVGUTWVJOZNNE-UKRRQHHQSA-N 1 2 330.819 2.233 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnc4ccccn34)[C@@H]2C1 ZINC001084467597 798215961 /nfs/dbraw/zinc/21/59/61/798215961.db2.gz GDVGUTWVJOZNNE-UKRRQHHQSA-N 1 2 330.819 2.233 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NCC[NH2+]Cc1noc(-c2ccoc2)n1 ZINC001128190290 798225232 /nfs/dbraw/zinc/22/52/32/798225232.db2.gz OKHBESVLXBSSQV-UHFFFAOYSA-N 1 2 338.795 2.314 20 30 EEEDLO C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]cn1C)Nc1ncccc1C#N ZINC001089374749 798234381 /nfs/dbraw/zinc/23/43/81/798234381.db2.gz KYVSDIHRNDGNLK-UONOGXRCSA-N 1 2 340.431 2.015 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H](C)C#N)C[C@@H]32)n1 ZINC001084904508 798547168 /nfs/dbraw/zinc/54/71/68/798547168.db2.gz HNDMNXCYCOTOLW-INMHGKMJSA-N 1 2 329.448 2.046 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)[C@H](C)C#N)C[C@@H]32)n1 ZINC001084904508 798547172 /nfs/dbraw/zinc/54/71/72/798547172.db2.gz HNDMNXCYCOTOLW-INMHGKMJSA-N 1 2 329.448 2.046 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001002768394 798572601 /nfs/dbraw/zinc/57/26/01/798572601.db2.gz PQKMDECPIODBBX-RBSFLKMASA-N 1 2 344.459 2.175 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001002768394 798572604 /nfs/dbraw/zinc/57/26/04/798572604.db2.gz PQKMDECPIODBBX-RBSFLKMASA-N 1 2 344.459 2.175 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@@H+](CCOCCC(C)C)[C@@H]2C1 ZINC001176955520 798656275 /nfs/dbraw/zinc/65/62/75/798656275.db2.gz UYZWRAAVZXQLGP-QZTJIDSGSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@H+](CCOCCC(C)C)[C@@H]2C1 ZINC001176955520 798656277 /nfs/dbraw/zinc/65/62/77/798656277.db2.gz UYZWRAAVZXQLGP-QZTJIDSGSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(Cl)no3)C[C@@H]21 ZINC001177130913 798762605 /nfs/dbraw/zinc/76/26/05/798762605.db2.gz JDMQWKKRSMNISZ-QWHCGFSZSA-N 1 2 339.823 2.210 20 30 EEEDLO C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(Cl)no3)C[C@@H]21 ZINC001177130913 798762606 /nfs/dbraw/zinc/76/26/06/798762606.db2.gz JDMQWKKRSMNISZ-QWHCGFSZSA-N 1 2 339.823 2.210 20 30 EEEDLO CCCCCCCCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001177140337 798768245 /nfs/dbraw/zinc/76/82/45/798768245.db2.gz YMSHARHIIMLEJZ-IRXDYDNUSA-N 1 2 326.481 2.031 20 30 EEEDLO CCCCCCCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001177140337 798768250 /nfs/dbraw/zinc/76/82/50/798768250.db2.gz YMSHARHIIMLEJZ-IRXDYDNUSA-N 1 2 326.481 2.031 20 30 EEEDLO O=C(CC#Cc1ccccc1)N1CC[C@H]2OCC[N@@H+](CCCF)[C@H]2C1 ZINC001177150421 798775478 /nfs/dbraw/zinc/77/54/78/798775478.db2.gz MOLUWGSCPJLQRD-RBUKOAKNSA-N 1 2 344.430 2.090 20 30 EEEDLO O=C(CC#Cc1ccccc1)N1CC[C@H]2OCC[N@H+](CCCF)[C@H]2C1 ZINC001177150421 798775483 /nfs/dbraw/zinc/77/54/83/798775483.db2.gz MOLUWGSCPJLQRD-RBUKOAKNSA-N 1 2 344.430 2.090 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCCCCOCC)C[C@@H]21 ZINC001177156996 798780471 /nfs/dbraw/zinc/78/04/71/798780471.db2.gz OZYCEADZYAVOQP-ZWKOTPCHSA-N 1 2 338.492 2.461 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCCCOCC)C[C@@H]21 ZINC001177156996 798780474 /nfs/dbraw/zinc/78/04/74/798780474.db2.gz OZYCEADZYAVOQP-ZWKOTPCHSA-N 1 2 338.492 2.461 20 30 EEEDLO N#CCNCCCN(CC1CCCC1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001177412443 798930300 /nfs/dbraw/zinc/93/03/00/798930300.db2.gz BSLWJIWZAIOQQJ-INIZCTEOSA-N 1 2 343.475 2.352 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2c[nH]nc2-c2ccccn2)CC1 ZINC001002987484 798977256 /nfs/dbraw/zinc/97/72/56/798977256.db2.gz RXDQASXJNVKWGF-UHFFFAOYSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(C)CCC(=O)NCc1cnn2c1C[N@H+](CC[C@@H]1CCCO1)CC2 ZINC001128371655 799108985 /nfs/dbraw/zinc/10/89/85/799108985.db2.gz AJBBWBLPZAFRAT-KRWDZBQOSA-N 1 2 346.475 2.240 20 30 EEEDLO C=C(C)CCC(=O)NCc1cnn2c1C[N@@H+](CC[C@@H]1CCCO1)CC2 ZINC001128371655 799108991 /nfs/dbraw/zinc/10/89/91/799108991.db2.gz AJBBWBLPZAFRAT-KRWDZBQOSA-N 1 2 346.475 2.240 20 30 EEEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nc([C@H](C)OCC(C)C)no1 ZINC001128413562 799336180 /nfs/dbraw/zinc/33/61/80/799336180.db2.gz HIBBMUWKVNYNIZ-AWEZNQCLSA-N 1 2 338.452 2.365 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3CC3(C)C)CC2)C1 ZINC001065704984 799352412 /nfs/dbraw/zinc/35/24/12/799352412.db2.gz UCXGYGOJDJLUQX-IAGOWNOFSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)C3(C)CC3)CC2)C1 ZINC001065705361 799353602 /nfs/dbraw/zinc/35/36/02/799353602.db2.gz XVUKDMRERUWOSO-INIZCTEOSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)/C=C/C(C)(C)C)CC2)C1 ZINC001065690628 799364100 /nfs/dbraw/zinc/36/41/00/799364100.db2.gz DOOKPUSXVMXGKT-VMSUTVGLSA-N 1 2 347.503 2.300 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ZINC001032948547 800486354 /nfs/dbraw/zinc/48/63/54/800486354.db2.gz OIKGKJSFQGAINM-KRWDZBQOSA-N 1 2 341.386 2.320 20 30 EEEDLO CN(C(=O)[C@H]1CCOC1)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001032941462 800491513 /nfs/dbraw/zinc/49/15/13/800491513.db2.gz GVRDHVAUHDFUSB-IRXDYDNUSA-N 1 2 346.858 2.261 20 30 EEEDLO CN(C(=O)[C@H]1CCOC1)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001032941462 800491517 /nfs/dbraw/zinc/49/15/17/800491517.db2.gz GVRDHVAUHDFUSB-IRXDYDNUSA-N 1 2 346.858 2.261 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001066257838 800515606 /nfs/dbraw/zinc/51/56/06/800515606.db2.gz FSZKUUWTZLKIRR-CVEARBPZSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001066257838 800515610 /nfs/dbraw/zinc/51/56/10/800515610.db2.gz FSZKUUWTZLKIRR-CVEARBPZSA-N 1 2 346.475 2.442 20 30 EEEDLO Cc1nc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)c[nH]1 ZINC001032959640 800555975 /nfs/dbraw/zinc/55/59/75/800555975.db2.gz 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CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1cc(C2CC2)n[nH]1 ZINC001085836940 801396310 /nfs/dbraw/zinc/39/63/10/801396310.db2.gz XKEQIGWLDLCDGG-GOSISDBHSA-N 1 2 348.450 2.485 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)c1cc(C2CC2)n[nH]1 ZINC001085836940 801396315 /nfs/dbraw/zinc/39/63/15/801396315.db2.gz XKEQIGWLDLCDGG-GOSISDBHSA-N 1 2 348.450 2.485 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnoc1C ZINC001085864814 801488671 /nfs/dbraw/zinc/48/86/71/801488671.db2.gz KZOYVSMMGURPDC-BZSNNMDCSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnoc1C ZINC001085864814 801488676 /nfs/dbraw/zinc/48/86/76/801488676.db2.gz KZOYVSMMGURPDC-BZSNNMDCSA-N 1 2 347.459 2.387 20 30 EEEDLO CCc1cc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)no1 ZINC001085932671 801688930 /nfs/dbraw/zinc/68/89/30/801688930.db2.gz FWPMSXGRWOHPEY-MRXNPFEDSA-N 1 2 338.411 2.455 20 30 EEEDLO CCc1cc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)no1 ZINC001085932671 801688937 /nfs/dbraw/zinc/68/89/37/801688937.db2.gz FWPMSXGRWOHPEY-MRXNPFEDSA-N 1 2 338.411 2.455 20 30 EEEDLO C[C@H]1OCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183838475 801766693 /nfs/dbraw/zinc/76/66/93/801766693.db2.gz ILWSHEIUNDAOJA-HHXXYDBFSA-N 1 2 341.455 2.454 20 30 EEEDLO C[C@H]1OCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183838475 801766703 /nfs/dbraw/zinc/76/67/03/801766703.db2.gz ILWSHEIUNDAOJA-HHXXYDBFSA-N 1 2 341.455 2.454 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC001108234546 801986649 /nfs/dbraw/zinc/98/66/49/801986649.db2.gz LTKJKTFBGRGIHS-KRWDZBQOSA-N 1 2 346.456 2.145 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC001108234546 801986653 /nfs/dbraw/zinc/98/66/53/801986653.db2.gz LTKJKTFBGRGIHS-KRWDZBQOSA-N 1 2 346.456 2.145 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001108236243 801995465 /nfs/dbraw/zinc/99/54/65/801995465.db2.gz GBTSSBQPIMUMGG-MRXNPFEDSA-N 1 2 328.334 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802134258 /nfs/dbraw/zinc/13/42/58/802134258.db2.gz DAGGQSDCBCDYQT-QGZVFWFLSA-N 1 2 337.427 2.355 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnc3[nH]ccc3c2)CC1 ZINC001004462091 802134262 /nfs/dbraw/zinc/13/42/62/802134262.db2.gz DAGGQSDCBCDYQT-QGZVFWFLSA-N 1 2 337.427 2.355 20 30 EEEDLO COC1CCC(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)CC1 ZINC001004525314 802295258 /nfs/dbraw/zinc/29/52/58/802295258.db2.gz UXQKOIHYXRNACY-DAWZGUTISA-N 1 2 333.476 2.418 20 30 EEEDLO COC1CCC(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)CC1 ZINC001004525314 802295267 /nfs/dbraw/zinc/29/52/67/802295267.db2.gz UXQKOIHYXRNACY-DAWZGUTISA-N 1 2 333.476 2.418 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001066429385 802387110 /nfs/dbraw/zinc/38/71/10/802387110.db2.gz PDAVQOHYZPTYBB-LSDHHAIUSA-N 1 2 332.448 2.052 20 30 EEEDLO COc1nc(C)ccc1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004572095 802394352 /nfs/dbraw/zinc/39/43/52/802394352.db2.gz ZHILGOPJQRNTRS-QGZVFWFLSA-N 1 2 342.443 2.239 20 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/nfs/dbraw/zinc/87/07/75/802870775.db2.gz ZQRGHNRSTOQMJZ-UHFFFAOYSA-N 1 2 338.402 2.326 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)[nH]c3ccccc32)[C@H](O)C1 ZINC001090415462 803219510 /nfs/dbraw/zinc/21/95/10/803219510.db2.gz AGJVMUKIJLVNGA-JKSUJKDBSA-N 1 2 347.846 2.394 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)[nH]c3ccccc32)[C@H](O)C1 ZINC001090415462 803219512 /nfs/dbraw/zinc/21/95/12/803219512.db2.gz AGJVMUKIJLVNGA-JKSUJKDBSA-N 1 2 347.846 2.394 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)CC2CCOCC2)C1 ZINC001108317447 803267552 /nfs/dbraw/zinc/26/75/52/803267552.db2.gz KFYQNUKRYRIEFX-IBGZPJMESA-N 1 2 338.492 2.222 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)CC2CCOCC2)C1 ZINC001108317447 803267555 /nfs/dbraw/zinc/26/75/55/803267555.db2.gz KFYQNUKRYRIEFX-IBGZPJMESA-N 1 2 338.492 2.222 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc3nc(C)ccc3o2)C1 ZINC001108354219 803357149 /nfs/dbraw/zinc/35/71/49/803357149.db2.gz AFXGHEMEGVZPTN-SFHVURJKSA-N 1 2 329.400 2.143 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc3nc(C)ccc3o2)C1 ZINC001108354219 803357153 /nfs/dbraw/zinc/35/71/53/803357153.db2.gz AFXGHEMEGVZPTN-SFHVURJKSA-N 1 2 329.400 2.143 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccc3c2CCC3)C1 ZINC001108434685 803566383 /nfs/dbraw/zinc/56/63/83/803566383.db2.gz VFHSAKSURXBHCE-HXUWFJFHSA-N 1 2 326.440 2.019 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccc3c2CCC3)C1 ZINC001108434685 803566388 /nfs/dbraw/zinc/56/63/88/803566388.db2.gz VFHSAKSURXBHCE-HXUWFJFHSA-N 1 2 326.440 2.019 20 30 EEEDLO Cc1cccn2cc(CC(=O)N[C@@H](C)CNc3ccc(C#N)cn3)[nH+]c12 ZINC001108442906 803593332 /nfs/dbraw/zinc/59/33/32/803593332.db2.gz BTEGBEIOMIJSTE-AWEZNQCLSA-N 1 2 348.410 2.069 20 30 EEEDLO C=CCc1cc(C)c[nH+]c1NCc1ccc(N2CCOCC2)nn1 ZINC001169739738 804027030 /nfs/dbraw/zinc/02/70/30/804027030.db2.gz IYTJZOGILWZBKV-UHFFFAOYSA-N 1 2 325.416 2.357 20 30 EEEDLO CS(=O)(=O)C1CCC([NH+]2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC001169890811 804173147 /nfs/dbraw/zinc/17/31/47/804173147.db2.gz QHUJATBMGARBCE-UHFFFAOYSA-N 1 2 347.484 2.036 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)CCCC3CCCC3)CC2=O)C1 ZINC001108592232 804264231 /nfs/dbraw/zinc/26/42/31/804264231.db2.gz PVWYBANJMGEVRB-KRWDZBQOSA-N 1 2 347.503 2.324 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)n1 ZINC001108686698 804353317 /nfs/dbraw/zinc/35/33/17/804353317.db2.gz SLQKMLOJGWNZIU-JSGCOSHPSA-N 1 2 338.415 2.022 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C)no1 ZINC001109038384 804876851 /nfs/dbraw/zinc/87/68/51/804876851.db2.gz QHFSYLIZUUMJAU-FSDCSDTHSA-N 1 2 333.432 2.186 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C)no1 ZINC001109038384 804876859 /nfs/dbraw/zinc/87/68/59/804876859.db2.gz QHFSYLIZUUMJAU-FSDCSDTHSA-N 1 2 333.432 2.186 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(Cl)nc1 ZINC001109208824 805120538 /nfs/dbraw/zinc/12/05/38/805120538.db2.gz BUJAJHCGUDWQIR-LLDVTBCESA-N 1 2 349.862 2.284 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(Cl)nc1 ZINC001109208824 805120540 /nfs/dbraw/zinc/12/05/40/805120540.db2.gz BUJAJHCGUDWQIR-LLDVTBCESA-N 1 2 349.862 2.284 20 30 EEEDLO COc1ncccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109260731 805207167 /nfs/dbraw/zinc/20/71/67/805207167.db2.gz MOIMJGZJEXQTGD-IKGGRYGDSA-N 1 2 341.455 2.361 20 30 EEEDLO COc1ncccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109260731 805207173 /nfs/dbraw/zinc/20/71/73/805207173.db2.gz MOIMJGZJEXQTGD-IKGGRYGDSA-N 1 2 341.455 2.361 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)s1 ZINC001109266803 805213760 /nfs/dbraw/zinc/21/37/60/805213760.db2.gz GHDJXASDNHSZCV-UKMLZYKCSA-N 1 2 347.484 2.020 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)s1 ZINC001109266803 805213762 /nfs/dbraw/zinc/21/37/62/805213762.db2.gz GHDJXASDNHSZCV-UKMLZYKCSA-N 1 2 347.484 2.020 20 30 EEEDLO CCc1nc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H](C)C#N)C2)cs1 ZINC001111670810 805556446 /nfs/dbraw/zinc/55/64/46/805556446.db2.gz WHLKTWFDLVBXNF-DCGLDWPTSA-N 1 2 332.473 2.336 20 30 EEEDLO CCc1nc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)[C@@H](C)C#N)C2)cs1 ZINC001111670810 805556447 /nfs/dbraw/zinc/55/64/47/805556447.db2.gz WHLKTWFDLVBXNF-DCGLDWPTSA-N 1 2 332.473 2.336 20 30 EEEDLO C#CCCCCC(=O)N1CC[NH+](C[C@H](O)c2cccc(OC)c2)CC1 ZINC001112775372 807211861 /nfs/dbraw/zinc/21/18/61/807211861.db2.gz SEWRMQHQXAGURW-IBGZPJMESA-N 1 2 344.455 2.066 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC001112860115 807463777 /nfs/dbraw/zinc/46/37/77/807463777.db2.gz RAHIBKBZEXCSEG-MOPGFXCFSA-N 1 2 344.455 2.254 20 30 EEEDLO C=C(C)[C@H](CC(=O)N1CC[NH+](CCOCC2CCC2)CC1)OCC ZINC001112906994 807577390 /nfs/dbraw/zinc/57/73/90/807577390.db2.gz VMMVHPQZAZAKHF-SFHVURJKSA-N 1 2 338.492 2.319 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2c(C)nn(C(C)(C)C)c2C)CC1 ZINC001112922501 807620610 /nfs/dbraw/zinc/62/06/10/807620610.db2.gz DEXMFFVWQMGHTR-UHFFFAOYSA-N 1 2 348.491 2.215 20 30 EEEDLO C#CCC1(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CCC1 ZINC001112951669 807698839 /nfs/dbraw/zinc/69/88/39/807698839.db2.gz VJKFYXMJOPBBEA-UHFFFAOYSA-N 1 2 326.440 2.403 20 30 EEEDLO Cc1nc(N[C@@H](C)[C@H](C)NC(=O)C#CC2CC2)c2c([nH+]1)CCCC2 ZINC001113036015 807909600 /nfs/dbraw/zinc/90/96/00/807909600.db2.gz JHVAUVQMSCKJCX-STQMWFEESA-N 1 2 326.444 2.382 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ncsc2C(F)(F)F)CC1 ZINC001113097699 808118598 /nfs/dbraw/zinc/11/85/98/808118598.db2.gz PWTUSNRYQZPASC-UHFFFAOYSA-N 1 2 349.378 2.122 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](C)OCc2ccccc2C)CC1 ZINC001113169709 808348475 /nfs/dbraw/zinc/34/84/75/808348475.db2.gz SPPNXPKATUICMU-SFHVURJKSA-N 1 2 346.471 2.247 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C(=O)NC)cc2)CC1 ZINC001113226584 808484096 /nfs/dbraw/zinc/48/40/96/808484096.db2.gz HNWNNCPFXXHHJX-CVEARBPZSA-N 1 2 343.471 2.149 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](CCOCc3ccccc3)CC2)nc1 ZINC001113559421 809226920 /nfs/dbraw/zinc/22/69/20/809226920.db2.gz SQNWRKCZMWJMGD-UHFFFAOYSA-N 1 2 349.434 2.038 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)nc2C2CC2)[C@H](O)C1 ZINC001090457884 809452027 /nfs/dbraw/zinc/45/20/27/809452027.db2.gz FCAMDUFABBVMSX-HZPDHXFCSA-N 1 2 349.862 2.185 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)nc2C2CC2)[C@H](O)C1 ZINC001090457884 809452030 /nfs/dbraw/zinc/45/20/30/809452030.db2.gz FCAMDUFABBVMSX-HZPDHXFCSA-N 1 2 349.862 2.185 20 30 EEEDLO C=CCCOCC(=O)N1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC001113708062 809608096 /nfs/dbraw/zinc/60/80/96/809608096.db2.gz SKTAMGJTZVBRLS-UHFFFAOYSA-N 1 2 332.444 2.070 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)CC[C@H]1C ZINC001114052023 810243215 /nfs/dbraw/zinc/24/32/15/810243215.db2.gz GHMSSVZBUJNLDW-UKRRQHHQSA-N 1 2 342.447 2.051 20 30 EEEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCCCC(C)(C)C)CC1 ZINC001131361714 812736270 /nfs/dbraw/zinc/73/62/70/812736270.db2.gz AGNZXVKBJLHLNV-UHFFFAOYSA-N 1 2 337.508 2.429 20 30 EEEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCCCC(C)(C)C)CC1 ZINC001131361714 812736272 /nfs/dbraw/zinc/73/62/72/812736272.db2.gz AGNZXVKBJLHLNV-UHFFFAOYSA-N 1 2 337.508 2.429 20 30 EEEDLO C[C@@H](C#N)C(=O)N(C)C1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001436661120 1088084280 /nfs/dbraw/zinc/08/42/80/1088084280.db2.gz CCRZGFDHGQLFBN-JTQLQIEISA-N 1 2 326.853 2.379 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1n[nH]c(=O)c2ccccc21 ZINC001437642335 1090162193 /nfs/dbraw/zinc/16/21/93/1090162193.db2.gz ZNVDACFHFGKISC-UHFFFAOYSA-N 1 2 334.807 2.140 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1n[nH]c(=O)c2ccccc21 ZINC001437642335 1090162196 /nfs/dbraw/zinc/16/21/96/1090162196.db2.gz ZNVDACFHFGKISC-UHFFFAOYSA-N 1 2 334.807 2.140 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC001445872254 1091796726 /nfs/dbraw/zinc/79/67/26/1091796726.db2.gz GGTJDXKNODLIFP-NSHDSACASA-N 1 2 336.823 2.082 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC001445872254 1091796735 /nfs/dbraw/zinc/79/67/35/1091796735.db2.gz GGTJDXKNODLIFP-NSHDSACASA-N 1 2 336.823 2.082 20 30 EEEDLO C[N@H+](CCNC(=O)C1CC(F)(F)C1)Cc1ccc(C#N)cc1F ZINC001442373413 1096696480 /nfs/dbraw/zinc/69/64/80/1096696480.db2.gz HMYXFBAZKCEJQY-UHFFFAOYSA-N 1 2 325.334 2.291 20 30 EEEDLO C[N@@H+](CCNC(=O)C1CC(F)(F)C1)Cc1ccc(C#N)cc1F ZINC001442373413 1096696486 /nfs/dbraw/zinc/69/64/86/1096696486.db2.gz HMYXFBAZKCEJQY-UHFFFAOYSA-N 1 2 325.334 2.291 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001443345467 1097865936 /nfs/dbraw/zinc/86/59/36/1097865936.db2.gz YBRPQAHVAIGMFQ-SNVBAGLBSA-N 1 2 332.782 2.494 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001443345467 1097865942 /nfs/dbraw/zinc/86/59/42/1097865942.db2.gz YBRPQAHVAIGMFQ-SNVBAGLBSA-N 1 2 332.782 2.494 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCc2nc(C(C)C)no2)C1 ZINC001494845930 1104445195 /nfs/dbraw/zinc/44/51/95/1104445195.db2.gz IGFFDHRWAWWZIP-CYBMUJFWSA-N 1 2 340.855 2.411 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCc2nc(C(C)C)no2)C1 ZINC001494845930 1104445197 /nfs/dbraw/zinc/44/51/97/1104445197.db2.gz IGFFDHRWAWWZIP-CYBMUJFWSA-N 1 2 340.855 2.411 20 30 EEEDLO Cn1c[nH+]cc1C1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1 ZINC001464838067 1110404854 /nfs/dbraw/zinc/40/48/54/1110404854.db2.gz PDCGRQCBVXOJHZ-UHFFFAOYSA-N 1 2 344.440 2.054 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001466801896 1110444028 /nfs/dbraw/zinc/44/40/28/1110444028.db2.gz HAMVWWNRJMBLGC-CYBMUJFWSA-N 1 2 348.410 2.177 20 30 EEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001466801896 1110444029 /nfs/dbraw/zinc/44/40/29/1110444029.db2.gz HAMVWWNRJMBLGC-CYBMUJFWSA-N 1 2 348.410 2.177 20 30 EEEDLO COc1ncc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1C#N ZINC001467270102 1110452324 /nfs/dbraw/zinc/45/23/24/1110452324.db2.gz NPICEUKDRYCRDI-UHFFFAOYSA-N 1 2 348.366 2.469 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@H](C)CNC(=O)c2cc(C#N)c[nH]2)sc1C ZINC001505893548 1114258922 /nfs/dbraw/zinc/25/89/22/1114258922.db2.gz AFKQMBYRAUMYMB-SNVBAGLBSA-N 1 2 331.445 2.210 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@H](C)CNC(=O)c2cc(C#N)c[nH]2)sc1C ZINC001505893548 1114258923 /nfs/dbraw/zinc/25/89/23/1114258923.db2.gz AFKQMBYRAUMYMB-SNVBAGLBSA-N 1 2 331.445 2.210 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1c(C)oc2nc[nH]c(=O)c21 ZINC001505935180 1114288184 /nfs/dbraw/zinc/28/81/84/1114288184.db2.gz CAXPMKUYDRPIIV-SECBINFHSA-N 1 2 338.795 2.039 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1c(C)oc2nc[nH]c(=O)c21 ZINC001505935180 1114288186 /nfs/dbraw/zinc/28/81/86/1114288186.db2.gz CAXPMKUYDRPIIV-SECBINFHSA-N 1 2 338.795 2.039 20 30 EEEDLO C=CCN(CC=C)c1nnc([C@H]2CCC[N@H+]2C)n1C[C@H]1CCOC1 ZINC001519747901 1119103101 /nfs/dbraw/zinc/10/31/01/1119103101.db2.gz AFOFBKAFAFONMK-HZPDHXFCSA-N 1 2 331.464 2.260 20 30 EEEDLO C=CCN(CC=C)c1nnc([C@H]2CCC[N@@H+]2C)n1C[C@H]1CCOC1 ZINC001519747901 1119103103 /nfs/dbraw/zinc/10/31/03/1119103103.db2.gz AFOFBKAFAFONMK-HZPDHXFCSA-N 1 2 331.464 2.260 20 30 EEEDLO CC[C@@H](C)[C@H](O)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000112405042 529422367 /nfs/dbraw/zinc/42/23/67/529422367.db2.gz SSQYVYOAEFNDCD-IUODEOHRSA-N 1 2 342.443 2.053 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2nc(C)no2)[C@@H]1CC ZINC001087603139 781923826 /nfs/dbraw/zinc/92/38/26/781923826.db2.gz ZTSHNWFIORWKNT-LSDHHAIUSA-N 1 2 343.431 2.148 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)no2)[C@@H]1CC ZINC001087603139 781923830 /nfs/dbraw/zinc/92/38/30/781923830.db2.gz ZTSHNWFIORWKNT-LSDHHAIUSA-N 1 2 343.431 2.148 20 30 EEEDLO CCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@@H](C)C(=O)OCC ZINC000429706807 283089270 /nfs/dbraw/zinc/08/92/70/283089270.db2.gz FCXFYSHLTBDYFL-HNNXBMFYSA-N 1 2 337.464 2.335 20 30 EEEDLO CCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@@H](C)C(=O)OCC ZINC000429706807 283089276 /nfs/dbraw/zinc/08/92/76/283089276.db2.gz FCXFYSHLTBDYFL-HNNXBMFYSA-N 1 2 337.464 2.335 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nc3c(s2)CCC3)C1 ZINC000970155032 675590713 /nfs/dbraw/zinc/59/07/13/675590713.db2.gz MHEWAVVWPWDFCH-JTQLQIEISA-N 1 2 325.865 2.434 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC(C)(C)C#N)c1cccc(F)c1 ZINC000349719183 238191531 /nfs/dbraw/zinc/19/15/31/238191531.db2.gz ATVXCOBMAAOXIF-CQSZACIVSA-N 1 2 329.379 2.498 20 30 EEEDLO CCN(CC)C(=O)c1cccc(NC(=O)C[NH+]2CCC(C#N)CC2)c1 ZINC000057906533 201140330 /nfs/dbraw/zinc/14/03/30/201140330.db2.gz KSNAAEXQENJBBP-UHFFFAOYSA-N 1 2 342.443 2.343 20 30 EEEDLO C#CCOc1ccccc1CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000265244752 201215656 /nfs/dbraw/zinc/21/56/56/201215656.db2.gz WZKNXFNMTCULBY-UHFFFAOYSA-N 1 2 338.411 2.159 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000279014258 201313747 /nfs/dbraw/zinc/31/37/47/201313747.db2.gz LXGBKYULDYOCFN-KBAYOESNSA-N 1 2 329.444 2.268 20 30 EEEDLO C=CCOc1ccccc1C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000279043192 201314421 /nfs/dbraw/zinc/31/44/21/201314421.db2.gz BTJYALDVNIRXIV-UHFFFAOYSA-N 1 2 332.444 2.434 20 30 EEEDLO C=CCOc1ccccc1C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000279043192 201314424 /nfs/dbraw/zinc/31/44/24/201314424.db2.gz BTJYALDVNIRXIV-UHFFFAOYSA-N 1 2 332.444 2.434 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC(F)(F)[C@H](CO)C2)cc1Cl ZINC000291602182 201340631 /nfs/dbraw/zinc/34/06/31/201340631.db2.gz BXNIRIBGJQEMPE-NSHDSACASA-N 1 2 343.761 2.100 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC(F)(F)[C@H](CO)C2)cc1Cl ZINC000291602182 201340634 /nfs/dbraw/zinc/34/06/34/201340634.db2.gz BXNIRIBGJQEMPE-NSHDSACASA-N 1 2 343.761 2.100 20 30 EEEDLO CC(C)CN1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)[C@H](C)C1=O ZINC000426245831 241245371 /nfs/dbraw/zinc/24/53/71/241245371.db2.gz PBJPHINCDQOXGG-OAHLLOKOSA-N 1 2 342.443 2.076 20 30 EEEDLO CC(C)CN1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@H](C)C1=O ZINC000426245831 241245379 /nfs/dbraw/zinc/24/53/79/241245379.db2.gz PBJPHINCDQOXGG-OAHLLOKOSA-N 1 2 342.443 2.076 20 30 EEEDLO COc1cc(CN2CC[NH+](Cc3c(C)noc3C)CC2)ccc1C#N ZINC000442796943 242116677 /nfs/dbraw/zinc/11/66/77/242116677.db2.gz DXCOUHFGXKAARD-UHFFFAOYSA-N 1 2 340.427 2.490 20 30 EEEDLO COc1cc(C[NH+]2CCN(Cc3c(C)noc3C)CC2)ccc1C#N ZINC000442796943 242116678 /nfs/dbraw/zinc/11/66/78/242116678.db2.gz DXCOUHFGXKAARD-UHFFFAOYSA-N 1 2 340.427 2.490 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000456760314 244349666 /nfs/dbraw/zinc/34/96/66/244349666.db2.gz UDYTYGDPOPEADH-CQSZACIVSA-N 1 2 333.457 2.319 20 30 EEEDLO C=C(C)CNC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000156193112 205061818 /nfs/dbraw/zinc/06/18/18/205061818.db2.gz HCKXGYFEHYILFZ-INIZCTEOSA-N 1 2 344.415 2.402 20 30 EEEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000156926126 205140439 /nfs/dbraw/zinc/14/04/39/205140439.db2.gz HTFBTDONMIJBPX-BBRMVZONSA-N 1 2 329.379 2.465 20 30 EEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000156926126 205140442 /nfs/dbraw/zinc/14/04/42/205140442.db2.gz HTFBTDONMIJBPX-BBRMVZONSA-N 1 2 329.379 2.465 20 30 EEEDLO C#CC[N@@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)Cc1ccccc1 ZINC000491699381 246116956 /nfs/dbraw/zinc/11/69/56/246116956.db2.gz JCGCVTGJKKJIIE-UHFFFAOYSA-N 1 2 349.434 2.462 20 30 EEEDLO C#CC[N@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)Cc1ccccc1 ZINC000491699381 246116962 /nfs/dbraw/zinc/11/69/62/246116962.db2.gz JCGCVTGJKKJIIE-UHFFFAOYSA-N 1 2 349.434 2.462 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)C[C@@H]2CN(c3ccccc3)CCO2)n1 ZINC000491735203 533215917 /nfs/dbraw/zinc/21/59/17/533215917.db2.gz LUSICSYAUCMNGY-HXUWFJFHSA-N 1 2 338.455 2.244 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2CN(c3ccccc3)CCO2)n1 ZINC000491735203 533215924 /nfs/dbraw/zinc/21/59/24/533215924.db2.gz LUSICSYAUCMNGY-HXUWFJFHSA-N 1 2 338.455 2.244 20 30 EEEDLO N#Cc1cccnc1Nc1ccc(N2CCN(C(=O)C3CC3)CC2)[nH+]c1 ZINC000267279447 256044871 /nfs/dbraw/zinc/04/48/71/256044871.db2.gz VABUZZMOFGOSCB-UHFFFAOYSA-N 1 2 348.410 2.150 20 30 EEEDLO COC(=O)C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000267803685 256088316 /nfs/dbraw/zinc/08/83/16/256088316.db2.gz LOWUQLYSYAKCON-UHFFFAOYSA-N 1 2 335.791 2.178 20 30 EEEDLO COC(=O)C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000267803685 256088317 /nfs/dbraw/zinc/08/83/17/256088317.db2.gz LOWUQLYSYAKCON-UHFFFAOYSA-N 1 2 335.791 2.178 20 30 EEEDLO CO[C@@H](C)c1noc(C[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344126890 161200564 /nfs/dbraw/zinc/20/05/64/161200564.db2.gz YCYABYSVPKGDHW-ZDUSSCGKSA-N 1 2 330.388 2.297 20 30 EEEDLO CO[C@@H](C)c1noc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344126890 161200565 /nfs/dbraw/zinc/20/05/65/161200565.db2.gz YCYABYSVPKGDHW-ZDUSSCGKSA-N 1 2 330.388 2.297 20 30 EEEDLO CC[C@H](C(=O)OC)[NH+]1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000352669891 162235716 /nfs/dbraw/zinc/23/57/16/162235716.db2.gz CLCJTIRIHOOEOA-MRXNPFEDSA-N 1 2 335.835 2.281 20 30 EEEDLO C[S@@](=O)c1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1 ZINC000355461692 163198189 /nfs/dbraw/zinc/19/81/89/163198189.db2.gz XJKJXCSNDPJCQX-XMMPIXPASA-N 1 2 340.452 2.013 20 30 EEEDLO N#Cc1cccc(NCC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000359117471 164063813 /nfs/dbraw/zinc/06/38/13/164063813.db2.gz NDMFHSPUPUEPKZ-UHFFFAOYSA-N 1 2 331.379 2.472 20 30 EEEDLO CCCCc1noc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000368637191 166095204 /nfs/dbraw/zinc/09/52/04/166095204.db2.gz JSDKKNXZGJXZIV-CQSZACIVSA-N 1 2 327.388 2.332 20 30 EEEDLO CCCCc1noc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000368637191 166095205 /nfs/dbraw/zinc/09/52/05/166095205.db2.gz JSDKKNXZGJXZIV-CQSZACIVSA-N 1 2 327.388 2.332 20 30 EEEDLO Cc1cc(S(=O)(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)ccc1C#N ZINC000369371538 166247002 /nfs/dbraw/zinc/24/70/02/166247002.db2.gz WNMVHDXQMKINEN-HNNXBMFYSA-N 1 2 344.440 2.169 20 30 EEEDLO COc1cc[nH+]cc1CNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000431609392 269797881 /nfs/dbraw/zinc/79/78/81/269797881.db2.gz MZQWOWWQUXPIGF-UHFFFAOYSA-N 1 2 337.788 2.094 20 30 EEEDLO CCCNC(=O)C[NH+]1CCC(Nc2cc(C(C)=O)ccc2C#N)CC1 ZINC000272612303 266057655 /nfs/dbraw/zinc/05/76/55/266057655.db2.gz ZNYLWAMLNUXKCT-UHFFFAOYSA-N 1 2 342.443 2.163 20 30 EEEDLO CN(C)c1cc(C#N)cc(C(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000432070342 267291703 /nfs/dbraw/zinc/29/17/03/267291703.db2.gz XNECITPUXIKOMI-UHFFFAOYSA-N 1 2 333.395 2.244 20 30 EEEDLO Cc1cc(SCC(=O)NCC(C)(C)[NH+]2CCOCC2)ccc1C#N ZINC000519547901 268019341 /nfs/dbraw/zinc/01/93/41/268019341.db2.gz WVEOVERXSXLKRA-UHFFFAOYSA-N 1 2 347.484 2.186 20 30 EEEDLO CC(C)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)C1=O ZINC000277836956 269188568 /nfs/dbraw/zinc/18/85/68/269188568.db2.gz RWLMBFIGNAZSRR-QGZVFWFLSA-N 1 2 346.862 2.343 20 30 EEEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000280328394 269351392 /nfs/dbraw/zinc/35/13/92/269351392.db2.gz HLKDFDSGKCDUBD-SJCJKPOMSA-N 1 2 349.818 2.030 20 30 EEEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@]2(CCOC2)O1 ZINC000280328394 269351395 /nfs/dbraw/zinc/35/13/95/269351395.db2.gz HLKDFDSGKCDUBD-SJCJKPOMSA-N 1 2 349.818 2.030 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3conc3C3CC3)CC2)cc1 ZINC000290100631 275179656 /nfs/dbraw/zinc/17/96/56/275179656.db2.gz WUZWYZGUQUSSGQ-UHFFFAOYSA-N 1 2 336.395 2.382 20 30 EEEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCC2=CCCCC2)c1=O ZINC000576768396 320202630 /nfs/dbraw/zinc/20/26/30/320202630.db2.gz RCTBBYZEPXXKDG-UHFFFAOYSA-N 1 2 327.428 2.443 20 30 EEEDLO Cc1cc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)nn1CCC#N ZINC000611481946 449301466 /nfs/dbraw/zinc/30/14/66/449301466.db2.gz HRSXZDPBHXJQBG-CQSZACIVSA-N 1 2 327.392 2.171 20 30 EEEDLO C=C(C)COc1cc(C[NH+]2CCN(C(=O)N(C)C)CC2)ccc1OC ZINC000133655399 462956583 /nfs/dbraw/zinc/95/65/83/462956583.db2.gz PDHLWBQQXDPYGF-UHFFFAOYSA-N 1 2 347.459 2.449 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Br)o1 ZINC000191055970 464769706 /nfs/dbraw/zinc/76/97/06/464769706.db2.gz MDDIBCGEXIVSAL-UHFFFAOYSA-N 1 2 342.237 2.090 20 30 EEEDLO CC(C)c1nnc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000328836401 465142431 /nfs/dbraw/zinc/14/24/31/465142431.db2.gz XMGYKMXJYXYDEW-LBPRGKRZSA-N 1 2 346.460 2.339 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000328847399 465145174 /nfs/dbraw/zinc/14/51/74/465145174.db2.gz SMQQDCAKTTXOAK-HOTGVXAUSA-N 1 2 336.457 2.042 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000328847399 465145177 /nfs/dbraw/zinc/14/51/77/465145177.db2.gz SMQQDCAKTTXOAK-HOTGVXAUSA-N 1 2 336.457 2.042 20 30 EEEDLO Cc1cn2cc(NC(=O)N[C@@H]3CCO[C@@]4(CCOC4)C3)ccc2[nH+]1 ZINC000329106767 465235081 /nfs/dbraw/zinc/23/50/81/465235081.db2.gz HPIJPTKKUOGJBY-DYVFJYSZSA-N 1 2 330.388 2.307 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(F)cc2Cl)C1=O ZINC000337199184 465238974 /nfs/dbraw/zinc/23/89/74/465238974.db2.gz AQMOTLFSXHHYCR-CQSZACIVSA-N 1 2 339.798 2.136 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(F)cc2Cl)C1=O ZINC000337199184 465238978 /nfs/dbraw/zinc/23/89/78/465238978.db2.gz AQMOTLFSXHHYCR-CQSZACIVSA-N 1 2 339.798 2.136 20 30 EEEDLO C=CC[C@@H](CO)CNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000341847495 465267702 /nfs/dbraw/zinc/26/77/02/465267702.db2.gz XRZXRXZVAFMVOD-IUODEOHRSA-N 1 2 341.402 2.051 20 30 EEEDLO Cc1onc(CC(=O)N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)c1C#N ZINC000329191515 465263197 /nfs/dbraw/zinc/26/31/97/465263197.db2.gz QLLVNRQRQHAZSN-MRXNPFEDSA-N 1 2 339.399 2.363 20 30 EEEDLO N#CC1(F)CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000359347460 465398304 /nfs/dbraw/zinc/39/83/04/465398304.db2.gz IRSMMRCEXRENCR-UHFFFAOYSA-N 1 2 326.375 2.328 20 30 EEEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000045932033 462632148 /nfs/dbraw/zinc/63/21/48/462632148.db2.gz QHNYJCHFLPZYKO-OAHLLOKOSA-N 1 2 339.395 2.263 20 30 EEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000114709578 462673202 /nfs/dbraw/zinc/67/32/02/462673202.db2.gz GDCDJEMETUHAPI-UHFFFAOYSA-N 1 2 344.850 2.279 20 30 EEEDLO C=CCNc1ncc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000130203710 462745034 /nfs/dbraw/zinc/74/50/34/462745034.db2.gz CMICRMORRPGKCL-CYBMUJFWSA-N 1 2 330.413 2.430 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2nc(C)cs2)CC1 ZINC000047891395 462832752 /nfs/dbraw/zinc/83/27/52/462832752.db2.gz CNKGPLIGTSCQGI-OAHLLOKOSA-N 1 2 336.505 2.387 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2nc(C)cs2)CC1 ZINC000047891388 462832950 /nfs/dbraw/zinc/83/29/50/462832950.db2.gz XPUFGSFDNRQUEI-OAHLLOKOSA-N 1 2 334.489 2.163 20 30 EEEDLO Cc1csc(N2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)n1 ZINC000047891195 462833087 /nfs/dbraw/zinc/83/30/87/462833087.db2.gz VCRCUQWXEISSSZ-YOEHRIQHSA-N 1 2 349.504 2.017 20 30 EEEDLO Cc1ccc([C@@H](CNC(=O)C2(C#N)CCC2)[NH+]2CCOCC2)cc1 ZINC000119085510 462872910 /nfs/dbraw/zinc/87/29/10/462872910.db2.gz OIFHNLWFPOQNKD-QGZVFWFLSA-N 1 2 327.428 2.178 20 30 EEEDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1(C#N)CCC1 ZINC000066322315 462874106 /nfs/dbraw/zinc/87/41/06/462874106.db2.gz JTJZTSTVLDNOLK-UHFFFAOYSA-N 1 2 325.328 2.299 20 30 EEEDLO Cc1cccc([C@H](C)C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000120365881 462990719 /nfs/dbraw/zinc/99/07/19/462990719.db2.gz IWNZRGJYPJSKHJ-KRWDZBQOSA-N 1 2 329.444 2.173 20 30 EEEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000120407880 462995646 /nfs/dbraw/zinc/99/56/46/462995646.db2.gz USTHXSCKYLBODB-KRWDZBQOSA-N 1 2 330.476 2.185 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000120407880 462995650 /nfs/dbraw/zinc/99/56/50/462995650.db2.gz USTHXSCKYLBODB-KRWDZBQOSA-N 1 2 330.476 2.185 20 30 EEEDLO COc1ccc2oc(CN(CCC#N)CC[NH+]3CCOCC3)cc2c1 ZINC000156424815 463023302 /nfs/dbraw/zinc/02/33/02/463023302.db2.gz SEVNVHZHQLDQFE-UHFFFAOYSA-N 1 2 343.427 2.489 20 30 EEEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000020946544 463032106 /nfs/dbraw/zinc/03/21/06/463032106.db2.gz GVCQNYGUWYMTDO-UHFFFAOYSA-N 1 2 348.406 2.443 20 30 EEEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000020946544 463032109 /nfs/dbraw/zinc/03/21/09/463032109.db2.gz GVCQNYGUWYMTDO-UHFFFAOYSA-N 1 2 348.406 2.443 20 30 EEEDLO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078269223 463097808 /nfs/dbraw/zinc/09/78/08/463097808.db2.gz PDWROHIECZYFHC-WBVHZDCISA-N 1 2 328.460 2.172 20 30 EEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCN(c3cccs3)CC2)cc1 ZINC000121309797 463113651 /nfs/dbraw/zinc/11/36/51/463113651.db2.gz IFOUOJWNKFUXMS-UHFFFAOYSA-N 1 2 326.425 2.380 20 30 EEEDLO C[C@H]1CCCN(C(=O)C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1 ZINC000121543746 463154170 /nfs/dbraw/zinc/15/41/70/463154170.db2.gz HZUVJIBQYABCSV-PKOBYXMFSA-N 1 2 340.471 2.127 20 30 EEEDLO Cc1cccc([C@@H](CNC(=O)C2(C#N)CCC2)[NH+]2CCOCC2)c1 ZINC000078818973 463154422 /nfs/dbraw/zinc/15/44/22/463154422.db2.gz GMVFHASXZNSMDU-QGZVFWFLSA-N 1 2 327.428 2.178 20 30 EEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000068938243 463194030 /nfs/dbraw/zinc/19/40/30/463194030.db2.gz FWCWRYZPOVPAPN-OAHLLOKOSA-N 1 2 344.434 2.220 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N2CCCc3ccccc32)cc1 ZINC000054229855 463220296 /nfs/dbraw/zinc/22/02/96/463220296.db2.gz LMJXDEWGMHYCEM-UHFFFAOYSA-N 1 2 339.395 2.312 20 30 EEEDLO CSC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000491299708 468344492 /nfs/dbraw/zinc/34/44/92/468344492.db2.gz URWOPHBCOSOOQT-UHFFFAOYSA-N 1 2 329.469 2.488 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)o1 ZINC000029856856 463275959 /nfs/dbraw/zinc/27/59/59/463275959.db2.gz MDKZUBYNJCIFMB-UHFFFAOYSA-N 1 2 343.358 2.399 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000029931553 463280771 /nfs/dbraw/zinc/28/07/71/463280771.db2.gz XWWQILNILMPDEW-CQSZACIVSA-N 1 2 338.238 2.396 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000030151865 463288089 /nfs/dbraw/zinc/28/80/89/463288089.db2.gz JHKINIXMYLPJFF-SWLSCSKDSA-N 1 2 331.416 2.379 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000030151865 463288094 /nfs/dbraw/zinc/28/80/94/463288094.db2.gz JHKINIXMYLPJFF-SWLSCSKDSA-N 1 2 331.416 2.379 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000069778309 463324575 /nfs/dbraw/zinc/32/45/75/463324575.db2.gz YLKPZXWNWRYBAO-SWLSCSKDSA-N 1 2 335.835 2.068 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000069778309 463324578 /nfs/dbraw/zinc/32/45/78/463324578.db2.gz YLKPZXWNWRYBAO-SWLSCSKDSA-N 1 2 335.835 2.068 20 30 EEEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccco3)n(CC=C)c2=S)CC1 ZINC000044756709 463692447 /nfs/dbraw/zinc/69/24/47/463692447.db2.gz PMAKRFDFNMNRMY-UHFFFAOYSA-N 1 2 343.456 2.068 20 30 EEEDLO C=CCNC(=O)c1ccc(NC(=O)Cc2cn3ccccc3[nH+]2)cc1 ZINC000193433294 463712859 /nfs/dbraw/zinc/71/28/59/463712859.db2.gz HIAGDSMXKYHEKK-UHFFFAOYSA-N 1 2 334.379 2.431 20 30 EEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000171071291 463774918 /nfs/dbraw/zinc/77/49/18/463774918.db2.gz XBJAQBYDZKDHPR-UHFFFAOYSA-N 1 2 336.823 2.444 20 30 EEEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000171071291 463774925 /nfs/dbraw/zinc/77/49/25/463774925.db2.gz XBJAQBYDZKDHPR-UHFFFAOYSA-N 1 2 336.823 2.444 20 30 EEEDLO N#Cc1cccc(OCc2ccoc2C(=O)NCCn2cc[nH+]c2)c1 ZINC000171423027 463859986 /nfs/dbraw/zinc/85/99/86/463859986.db2.gz JJOHJRAQRYREMJ-UHFFFAOYSA-N 1 2 336.351 2.357 20 30 EEEDLO N#CCC1CC[NH+]([C@@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)CC1 ZINC000541924986 468382464 /nfs/dbraw/zinc/38/24/64/468382464.db2.gz OJOYOZIOADJDET-OAHLLOKOSA-N 1 2 333.338 2.222 20 30 EEEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000590959240 468384161 /nfs/dbraw/zinc/38/41/61/468384161.db2.gz NOZAFEJCJFQGPT-GRDNDAEWSA-N 1 2 340.427 2.422 20 30 EEEDLO C=CCOc1ccc(CNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1 ZINC000287587065 463936656 /nfs/dbraw/zinc/93/66/56/463936656.db2.gz XVKVYUXPKUESPB-HOTGVXAUSA-N 1 2 347.459 2.160 20 30 EEEDLO COCCC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000269435700 463983100 /nfs/dbraw/zinc/98/31/00/463983100.db2.gz PNKZAUBZYWAFHG-UHFFFAOYSA-N 1 2 327.428 2.019 20 30 EEEDLO C=CCC[C@H](NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000283908976 464038187 /nfs/dbraw/zinc/03/81/87/464038187.db2.gz MIGIABLBMFBQCU-WBVHZDCISA-N 1 2 340.427 2.212 20 30 EEEDLO CCn1cc[nH+]c1C=CC(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000492355834 468392035 /nfs/dbraw/zinc/39/20/35/468392035.db2.gz BUZZJUUNRGVJPA-SREVYHEPSA-N 1 2 346.394 2.494 20 30 EEEDLO CCn1nccc1/C=C/C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000269926595 464131255 /nfs/dbraw/zinc/13/12/55/464131255.db2.gz SNEQRXBZWRTYAV-BQYQJAHWSA-N 1 2 349.438 2.132 20 30 EEEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)C1 ZINC000172797302 464145117 /nfs/dbraw/zinc/14/51/17/464145117.db2.gz SLUHNDZWVZVDCX-NWDGAFQWSA-N 1 2 328.199 2.005 20 30 EEEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)C1 ZINC000172797302 464145120 /nfs/dbraw/zinc/14/51/20/464145120.db2.gz SLUHNDZWVZVDCX-NWDGAFQWSA-N 1 2 328.199 2.005 20 30 EEEDLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)O[NH+]=C(N)[C@@H]1CCCO1 ZINC000284408368 464181701 /nfs/dbraw/zinc/18/17/01/464181701.db2.gz NLEBKKAGTNTODD-MFKMUULPSA-N 1 2 325.796 2.443 20 30 EEEDLO CC(C)[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1nc(C2CC2)no1 ZINC000179819229 464194184 /nfs/dbraw/zinc/19/41/84/464194184.db2.gz XRXQMDFQDHFKTM-YOEHRIQHSA-N 1 2 331.420 2.042 20 30 EEEDLO N#Cc1ccc2c(c1)N(C(=O)[C@@H]1C[N@H+](Cc3ccccc3)CCO1)CC2 ZINC000270172172 464207508 /nfs/dbraw/zinc/20/75/08/464207508.db2.gz FCQAPBDGKDBRNZ-FQEVSTJZSA-N 1 2 347.418 2.348 20 30 EEEDLO N#Cc1ccc2c(c1)N(C(=O)[C@@H]1C[N@@H+](Cc3ccccc3)CCO1)CC2 ZINC000270172172 464207516 /nfs/dbraw/zinc/20/75/16/464207516.db2.gz FCQAPBDGKDBRNZ-FQEVSTJZSA-N 1 2 347.418 2.348 20 30 EEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC(=O)N(CCC#N)CCC#N ZINC000281044062 464312021 /nfs/dbraw/zinc/31/20/21/464312021.db2.gz QGTZDCYENNFUJF-INIZCTEOSA-N 1 2 342.447 2.086 20 30 EEEDLO Cc1cc(CN(CCC#N)CC[NH+]2CCOCC2)ccc1N(C)C ZINC000292774457 464337453 /nfs/dbraw/zinc/33/74/53/464337453.db2.gz JZRSZZSXJGRKHB-UHFFFAOYSA-N 1 2 330.476 2.109 20 30 EEEDLO Cc1cc(C[N@H+](CCC#N)CCN2CCOCC2)ccc1N(C)C ZINC000292774457 464337458 /nfs/dbraw/zinc/33/74/58/464337458.db2.gz JZRSZZSXJGRKHB-UHFFFAOYSA-N 1 2 330.476 2.109 20 30 EEEDLO Cc1cc(C[N@@H+](CCC#N)CCN2CCOCC2)ccc1N(C)C ZINC000292774457 464337462 /nfs/dbraw/zinc/33/74/62/464337462.db2.gz JZRSZZSXJGRKHB-UHFFFAOYSA-N 1 2 330.476 2.109 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NCCC2=CCCCC2)C1=O ZINC000281195395 464367081 /nfs/dbraw/zinc/36/70/81/464367081.db2.gz CAVNWUZPYSYFEM-WBVHZDCISA-N 1 2 333.476 2.100 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NCCC2=CCCCC2)C1=O ZINC000281195395 464367090 /nfs/dbraw/zinc/36/70/90/464367090.db2.gz CAVNWUZPYSYFEM-WBVHZDCISA-N 1 2 333.476 2.100 20 30 EEEDLO C=CCN(CCC#N)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000293664809 464417294 /nfs/dbraw/zinc/41/72/94/464417294.db2.gz FYLRSNYYTPZFGR-MRXNPFEDSA-N 1 2 344.434 2.264 20 30 EEEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271992909 464439139 /nfs/dbraw/zinc/43/91/39/464439139.db2.gz FFNOTYKHBZOIKX-UHFFFAOYSA-N 1 2 330.388 2.292 20 30 EEEDLO Cc1cc(N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)nc(C(C)C)[nH+]1 ZINC000181163487 464452011 /nfs/dbraw/zinc/45/20/11/464452011.db2.gz MLXVSDKLJIVCPB-UHFFFAOYSA-N 1 2 338.415 2.071 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2Cl)C1=O ZINC000281464813 464464908 /nfs/dbraw/zinc/46/49/08/464464908.db2.gz VOBJHOUOROVCKW-WFASDCNBSA-N 1 2 335.835 2.386 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccccc2Cl)C1=O ZINC000281464813 464464911 /nfs/dbraw/zinc/46/49/11/464464911.db2.gz VOBJHOUOROVCKW-WFASDCNBSA-N 1 2 335.835 2.386 20 30 EEEDLO Cc1csc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1C#N ZINC000579729638 468402808 /nfs/dbraw/zinc/40/28/08/468402808.db2.gz WGQGEHVWEZAPPL-UHFFFAOYSA-N 1 2 347.444 2.008 20 30 EEEDLO COC(=O)c1cnoc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000285829390 464710632 /nfs/dbraw/zinc/71/06/32/464710632.db2.gz BUBFRKGQAAIGDL-UHFFFAOYSA-N 1 2 340.383 2.045 20 30 EEEDLO COC(=O)c1cnoc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000285829390 464710638 /nfs/dbraw/zinc/71/06/38/464710638.db2.gz BUBFRKGQAAIGDL-UHFFFAOYSA-N 1 2 340.383 2.045 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2nncn2C)cc1C ZINC000275156009 464766048 /nfs/dbraw/zinc/76/60/48/464766048.db2.gz HTVILBMGFWBCIO-HNNXBMFYSA-N 1 2 340.431 2.029 20 30 EEEDLO N#Cc1c(NC(=O)C[N@H+]2CC[C@H](CO)C2)sc2c1CCCCC2 ZINC000266900026 464864639 /nfs/dbraw/zinc/86/46/39/464864639.db2.gz GELIGSJNHRQRGM-LBPRGKRZSA-N 1 2 333.457 2.141 20 30 EEEDLO N#Cc1c(NC(=O)C[N@@H+]2CC[C@H](CO)C2)sc2c1CCCCC2 ZINC000266900026 464864643 /nfs/dbraw/zinc/86/46/43/464864643.db2.gz GELIGSJNHRQRGM-LBPRGKRZSA-N 1 2 333.457 2.141 20 30 EEEDLO O=C(CSCC[NH+]1CCOCC1)NC(=O)NC1CCCCC1 ZINC000329381981 465317595 /nfs/dbraw/zinc/31/75/95/465317595.db2.gz NZOZNGYIUFKRJP-UHFFFAOYSA-N 1 2 329.466 2.255 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@](F)(CO)C2)cc1 ZINC000286769737 465023702 /nfs/dbraw/zinc/02/37/02/465023702.db2.gz GLNDMFZXZIPMKQ-QFBILLFUSA-N 1 2 347.434 2.427 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@](F)(CO)C2)cc1 ZINC000286769737 465023706 /nfs/dbraw/zinc/02/37/06/465023706.db2.gz GLNDMFZXZIPMKQ-QFBILLFUSA-N 1 2 347.434 2.427 20 30 EEEDLO C=CCNc1ncc(C(=O)NCc2cn3cc(C)ccc3[nH+]2)s1 ZINC000358779021 465318553 /nfs/dbraw/zinc/31/85/53/465318553.db2.gz KGGCYSXFVXMIPH-UHFFFAOYSA-N 1 2 327.413 2.627 20 30 EEEDLO C[NH+](C)[C@H](CNC(=O)C1CCS(=O)(=O)CC1)c1cccs1 ZINC000329421149 465327856 /nfs/dbraw/zinc/32/78/56/465327856.db2.gz HBVVDKBLHYIPJB-GFCCVEGCSA-N 1 2 330.475 2.132 20 30 EEEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)NC1(c2ccccc2)CCC1 ZINC000329470661 465343677 /nfs/dbraw/zinc/34/36/77/465343677.db2.gz YYVHWTKJPLNYBM-AWEZNQCLSA-N 1 2 342.399 2.099 20 30 EEEDLO C=CCOc1ccc(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)cc1 ZINC000359084566 465374246 /nfs/dbraw/zinc/37/42/46/465374246.db2.gz BOSRCXCQAGUGMO-LJQANCHMSA-N 1 2 344.455 2.369 20 30 EEEDLO C=CCOc1ccc(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)cc1 ZINC000359084566 465374253 /nfs/dbraw/zinc/37/42/53/465374253.db2.gz BOSRCXCQAGUGMO-LJQANCHMSA-N 1 2 344.455 2.369 20 30 EEEDLO Cc1csc([C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)CCO2)n1 ZINC000329629112 465391718 /nfs/dbraw/zinc/39/17/18/465391718.db2.gz UYGBVPNBGXTEOI-RISCZKNCSA-N 1 2 347.444 2.019 20 30 EEEDLO Cc1csc([C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)CCO2)n1 ZINC000329629112 465391721 /nfs/dbraw/zinc/39/17/21/465391721.db2.gz UYGBVPNBGXTEOI-RISCZKNCSA-N 1 2 347.444 2.019 20 30 EEEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)C1CCCCC1 ZINC000329773488 465430223 /nfs/dbraw/zinc/43/02/23/465430223.db2.gz LLUDMZSOGHFHNN-OAHLLOKOSA-N 1 2 333.480 2.421 20 30 EEEDLO O=C(NC1CC1)[C@H](O)C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000548351671 468434024 /nfs/dbraw/zinc/43/40/24/468434024.db2.gz VBNMSXDLRGEMRM-GOSISDBHSA-N 1 2 346.858 2.043 20 30 EEEDLO Cc1cc(C[C@@H](C)NC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)n[nH]1 ZINC000330021707 465507979 /nfs/dbraw/zinc/50/79/79/465507979.db2.gz YHAWTHKIFSQOKI-SNVBAGLBSA-N 1 2 341.419 2.190 20 30 EEEDLO N#CCCCS(=O)(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000352297746 465513666 /nfs/dbraw/zinc/51/36/66/465513666.db2.gz OHEXCCRPBWVBBG-INIZCTEOSA-N 1 2 347.440 2.334 20 30 EEEDLO CCN1CCN(C(=O)Nc2nc(C)c(C)s2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330061427 465520982 /nfs/dbraw/zinc/52/09/82/465520982.db2.gz OGRQVMGTDFAMNH-GFCCVEGCSA-N 1 2 334.449 2.407 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000352399490 465524348 /nfs/dbraw/zinc/52/43/48/465524348.db2.gz SNLBEXXLJMULNC-XNRPHZJLSA-N 1 2 337.855 2.226 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000352399490 465524350 /nfs/dbraw/zinc/52/43/50/465524350.db2.gz SNLBEXXLJMULNC-XNRPHZJLSA-N 1 2 337.855 2.226 20 30 EEEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@]2(CCOC2)O1 ZINC000330086114 465528584 /nfs/dbraw/zinc/52/85/84/465528584.db2.gz RWAHTCQWOKTOQX-KDOFPFPSSA-N 1 2 348.399 2.273 20 30 EEEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@]2(CCOC2)O1 ZINC000330086114 465528588 /nfs/dbraw/zinc/52/85/88/465528588.db2.gz RWAHTCQWOKTOQX-KDOFPFPSSA-N 1 2 348.399 2.273 20 30 EEEDLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352467424 465531293 /nfs/dbraw/zinc/53/12/93/465531293.db2.gz KGZUAGJDXWPOKK-GFCCVEGCSA-N 1 2 332.379 2.300 20 30 EEEDLO COc1cc(OC)cc(N2CC[C@H]([NH+]3CCC(F)(C#N)CC3)C2=O)c1 ZINC000352463971 465531335 /nfs/dbraw/zinc/53/13/35/465531335.db2.gz NANQNQIOYBJYLI-INIZCTEOSA-N 1 2 347.390 2.137 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)Nc1c(C)nn(C)c1C)Cc1ccc(CO)o1 ZINC000352796683 465557573 /nfs/dbraw/zinc/55/75/73/465557573.db2.gz HHPPMEZODPZPFY-UHFFFAOYSA-N 1 2 346.431 2.139 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)Nc1c(C)nn(C)c1C)Cc1ccc(CO)o1 ZINC000352796683 465557576 /nfs/dbraw/zinc/55/75/76/465557576.db2.gz HHPPMEZODPZPFY-UHFFFAOYSA-N 1 2 346.431 2.139 20 30 EEEDLO Cc1cccc(N2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000330191177 465562648 /nfs/dbraw/zinc/56/26/48/465562648.db2.gz MWMNIPOKHZENCA-MRXNPFEDSA-N 1 2 339.443 2.243 20 30 EEEDLO Cc1cccc(N2CCN(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000330191177 465562652 /nfs/dbraw/zinc/56/26/52/465562652.db2.gz MWMNIPOKHZENCA-MRXNPFEDSA-N 1 2 339.443 2.243 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1SCCc2ccccc21 ZINC000330206093 465569166 /nfs/dbraw/zinc/56/91/66/465569166.db2.gz DXJZKXWRLHUCGO-PBHICJAKSA-N 1 2 349.500 2.241 20 30 EEEDLO CC[C@@H]1CCN1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000330222636 465575079 /nfs/dbraw/zinc/57/50/79/465575079.db2.gz RZXCYZQYSZENEO-SUYBPPKGSA-N 1 2 345.447 2.013 20 30 EEEDLO C=CCOc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000548639580 468442257 /nfs/dbraw/zinc/44/22/57/468442257.db2.gz LIJLHMPFTRDXQR-CQSZACIVSA-N 1 2 327.384 2.201 20 30 EEEDLO COc1cc(C#N)ccc1OCCCC(=O)NCc1[nH]c[nH+]c1C ZINC000353107738 465643641 /nfs/dbraw/zinc/64/36/41/465643641.db2.gz ONGLSAREHUMKDM-UHFFFAOYSA-N 1 2 328.372 2.074 20 30 EEEDLO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1nc(C(C)(C)C)no1 ZINC000348532226 465659739 /nfs/dbraw/zinc/65/97/39/465659739.db2.gz GHTFNBSPGWDFPP-LBPRGKRZSA-N 1 2 341.415 2.206 20 30 EEEDLO COC(=O)[C@@H]1CCCCC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000360989475 465686412 /nfs/dbraw/zinc/68/64/12/465686412.db2.gz KWXNTDKZEZGTKJ-HNNXBMFYSA-N 1 2 332.400 2.363 20 30 EEEDLO COC(=O)[C@@H]1CCCCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000360989475 465686417 /nfs/dbraw/zinc/68/64/17/465686417.db2.gz KWXNTDKZEZGTKJ-HNNXBMFYSA-N 1 2 332.400 2.363 20 30 EEEDLO Cc1noc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000299618571 465828736 /nfs/dbraw/zinc/82/87/36/465828736.db2.gz IZLYMVZDKBEUBC-UHFFFAOYSA-N 1 2 325.372 2.100 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000345413078 465863979 /nfs/dbraw/zinc/86/39/79/465863979.db2.gz XHLJWUVVUHJIPJ-MAUKXSAKSA-N 1 2 342.443 2.063 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)CCCCC1 ZINC000340202448 465873237 /nfs/dbraw/zinc/87/32/37/465873237.db2.gz VRHSQGWHANKIID-TZMCWYRMSA-N 1 2 347.381 2.107 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)CCCCC1 ZINC000340202448 465873240 /nfs/dbraw/zinc/87/32/40/465873240.db2.gz VRHSQGWHANKIID-TZMCWYRMSA-N 1 2 347.381 2.107 20 30 EEEDLO C=CCN(CCc1ccco1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000353466026 465904770 /nfs/dbraw/zinc/90/47/70/465904770.db2.gz XPAKQJOUSGDAML-UHFFFAOYSA-N 1 2 335.448 2.131 20 30 EEEDLO C=CCN(CCc1ccco1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000353466026 465904776 /nfs/dbraw/zinc/90/47/76/465904776.db2.gz XPAKQJOUSGDAML-UHFFFAOYSA-N 1 2 335.448 2.131 20 30 EEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCCc1cccc(C#N)c1)CCC2 ZINC000366828151 465958153 /nfs/dbraw/zinc/95/81/53/465958153.db2.gz XKYQYWOZHOVRQT-QGZVFWFLSA-N 1 2 337.427 2.483 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1csc(Cc2ccccc2)n1 ZINC000580203005 468473142 /nfs/dbraw/zinc/47/31/42/468473142.db2.gz YBRSIFOBAUGDRR-SFHVURJKSA-N 1 2 342.468 2.236 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000340921286 466436431 /nfs/dbraw/zinc/43/64/31/466436431.db2.gz FREJJADGOKMKSG-HZSPNIEDSA-N 1 2 333.457 2.332 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000340921286 466436437 /nfs/dbraw/zinc/43/64/37/466436437.db2.gz FREJJADGOKMKSG-HZSPNIEDSA-N 1 2 333.457 2.332 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2Cc2ccc(F)cc2C#N)O1 ZINC000374505653 466656283 /nfs/dbraw/zinc/65/62/83/466656283.db2.gz NXFYWPFQZHAPGB-JKEMJCCQSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2Cc2ccc(F)cc2C#N)O1 ZINC000374505653 466656285 /nfs/dbraw/zinc/65/62/85/466656285.db2.gz NXFYWPFQZHAPGB-JKEMJCCQSA-N 1 2 332.375 2.381 20 30 EEEDLO Cc1cc(N2CCCO[C@@H](C)C2)c(C#N)c(N2CCCO[C@@H](C)C2)[nH+]1 ZINC000408518660 466674143 /nfs/dbraw/zinc/67/41/43/466674143.db2.gz SPEUQSVHXWALBG-HOTGVXAUSA-N 1 2 344.459 2.492 20 30 EEEDLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411496274 466836174 /nfs/dbraw/zinc/83/61/74/466836174.db2.gz LLWAQVMKUWWCEP-LSDHHAIUSA-N 1 2 336.432 2.277 20 30 EEEDLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411496274 466836177 /nfs/dbraw/zinc/83/61/77/466836177.db2.gz LLWAQVMKUWWCEP-LSDHHAIUSA-N 1 2 336.432 2.277 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000411764737 466895763 /nfs/dbraw/zinc/89/57/63/466895763.db2.gz GIHOSFUHPOXQEZ-INIZCTEOSA-N 1 2 331.391 2.183 20 30 EEEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000378335624 467268333 /nfs/dbraw/zinc/26/83/33/467268333.db2.gz RDFFYJUQXWRVLA-QGZVFWFLSA-N 1 2 326.400 2.351 20 30 EEEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000378335624 467268336 /nfs/dbraw/zinc/26/83/36/467268336.db2.gz RDFFYJUQXWRVLA-QGZVFWFLSA-N 1 2 326.400 2.351 20 30 EEEDLO COc1cc2c(cc1OC)CN(C(=O)C[N@H+](C)CC(C)(C)C#N)CC2 ZINC000433301227 467315474 /nfs/dbraw/zinc/31/54/74/467315474.db2.gz GSTQFYHGTZSXML-UHFFFAOYSA-N 1 2 345.443 2.070 20 30 EEEDLO COc1cc2c(cc1OC)CN(C(=O)C[N@@H+](C)CC(C)(C)C#N)CC2 ZINC000433301227 467315479 /nfs/dbraw/zinc/31/54/79/467315479.db2.gz GSTQFYHGTZSXML-UHFFFAOYSA-N 1 2 345.443 2.070 20 30 EEEDLO CC(C)n1cnnc1C[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000429280787 467319651 /nfs/dbraw/zinc/31/96/51/467319651.db2.gz RRTMKZLQEALJBB-UHFFFAOYSA-N 1 2 326.404 2.191 20 30 EEEDLO CC(C)n1cnnc1C[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000429280787 467319657 /nfs/dbraw/zinc/31/96/57/467319657.db2.gz RRTMKZLQEALJBB-UHFFFAOYSA-N 1 2 326.404 2.191 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nnc2sc3ccccc3n12 ZINC000414096039 467376693 /nfs/dbraw/zinc/37/66/93/467376693.db2.gz KVFKZWIOHVUHGV-LLVKDONJSA-N 1 2 347.469 2.242 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nnc2sc3ccccc3n12 ZINC000414096039 467376698 /nfs/dbraw/zinc/37/66/98/467376698.db2.gz KVFKZWIOHVUHGV-LLVKDONJSA-N 1 2 347.469 2.242 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(NC(=O)c2ccco2)c1 ZINC000414149267 467384080 /nfs/dbraw/zinc/38/40/80/467384080.db2.gz NXXUEGHNPMRINC-HNNXBMFYSA-N 1 2 343.383 2.117 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(NC(=O)c2ccco2)c1 ZINC000414149267 467384084 /nfs/dbraw/zinc/38/40/84/467384084.db2.gz NXXUEGHNPMRINC-HNNXBMFYSA-N 1 2 343.383 2.117 20 30 EEEDLO CC(C)Oc1ccc(NC(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1C#N ZINC000435546655 467475194 /nfs/dbraw/zinc/47/51/94/467475194.db2.gz VJUPZJNGFROVAF-CQSZACIVSA-N 1 2 346.431 2.188 20 30 EEEDLO CC(C)Oc1ccc(NC(=O)NCC[N@H+]2CCOC[C@H]2C)cc1C#N ZINC000435546655 467475199 /nfs/dbraw/zinc/47/51/99/467475199.db2.gz VJUPZJNGFROVAF-CQSZACIVSA-N 1 2 346.431 2.188 20 30 EEEDLO C=CCOc1cccc(NC(=O)C(=O)N[C@H](C)c2[nH+]ccn2CC)c1 ZINC000453974705 467560020 /nfs/dbraw/zinc/56/00/20/467560020.db2.gz MYYOVYVZAVHBIB-CYBMUJFWSA-N 1 2 342.399 2.284 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)C=Cc3c[nH]c[nH+]3)C2)c(F)c1 ZINC000492896990 467787825 /nfs/dbraw/zinc/78/78/25/467787825.db2.gz JSXYDSTUWKXOAG-ZDTYVGOBSA-N 1 2 339.374 2.219 20 30 EEEDLO COCc1ccc(NC(=O)NCc2ccc(N(C)C)[nH+]c2)cc1C#N ZINC000529210255 467828145 /nfs/dbraw/zinc/82/81/45/467828145.db2.gz JAOMLYCWSNMEIZ-UHFFFAOYSA-N 1 2 339.399 2.487 20 30 EEEDLO CC(=O)c1cccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000450485814 467857394 /nfs/dbraw/zinc/85/73/94/467857394.db2.gz QLZIXXBTDRADDF-CQSZACIVSA-N 1 2 335.411 2.262 20 30 EEEDLO CC(=O)c1cccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000450485814 467857398 /nfs/dbraw/zinc/85/73/98/467857398.db2.gz QLZIXXBTDRADDF-CQSZACIVSA-N 1 2 335.411 2.262 20 30 EEEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)[C@@H](CC)CN1C(C)=O ZINC000472330478 467986161 /nfs/dbraw/zinc/98/61/61/467986161.db2.gz UWQXFTAPUGAXEB-ZWKOTPCHSA-N 1 2 342.443 2.218 20 30 EEEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)[C@@H](CC)CN1C(C)=O ZINC000472330478 467986164 /nfs/dbraw/zinc/98/61/64/467986164.db2.gz UWQXFTAPUGAXEB-ZWKOTPCHSA-N 1 2 342.443 2.218 20 30 EEEDLO CCN1CCN(C(=O)[C@]2(C#N)CC23CCCC3)C[C@@H]1c1[nH]cc[nH+]1 ZINC000516147670 468015160 /nfs/dbraw/zinc/01/51/60/468015160.db2.gz WUTQQLHZQHDAMY-RDTXWAMCSA-N 1 2 327.432 2.089 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000531988392 468089116 /nfs/dbraw/zinc/08/91/16/468089116.db2.gz RYJXMCBHHAZSOX-UXIGCNINSA-N 1 2 349.397 2.065 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000488906709 468111063 /nfs/dbraw/zinc/11/10/63/468111063.db2.gz ZIAHLEZNEABZIK-HNNXBMFYSA-N 1 2 340.427 2.429 20 30 EEEDLO Cc1nc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)nc2ccccc12 ZINC000549172209 468175443 /nfs/dbraw/zinc/17/54/43/468175443.db2.gz VSJLOLOEUJZBFN-UHFFFAOYSA-N 1 2 329.367 2.142 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000589827800 468186891 /nfs/dbraw/zinc/18/68/91/468186891.db2.gz LEUQZNRHSAQGGY-GOSISDBHSA-N 1 2 326.400 2.234 20 30 EEEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000582341610 468525471 /nfs/dbraw/zinc/52/54/71/468525471.db2.gz BQSKGFDOTFHACX-IAQYHMDHSA-N 1 2 338.333 2.299 20 30 EEEDLO C[C@H](NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccc2c(c1)CCCC2 ZINC000592145939 468637066 /nfs/dbraw/zinc/63/70/66/468637066.db2.gz BUNRBCPRQIXCIF-MGPUTAFESA-N 1 2 341.455 2.093 20 30 EEEDLO C[C@H](NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccc2c(c1)CCCC2 ZINC000592145939 468637071 /nfs/dbraw/zinc/63/70/71/468637071.db2.gz BUNRBCPRQIXCIF-MGPUTAFESA-N 1 2 341.455 2.093 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+](CCOc2ccccc2Br)C1 ZINC000592152344 468641445 /nfs/dbraw/zinc/64/14/45/468641445.db2.gz XQBDSLXAAFXVOL-AWEZNQCLSA-N 1 2 325.206 2.178 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+](CCOc2ccccc2Br)C1 ZINC000592152344 468641447 /nfs/dbraw/zinc/64/14/47/468641447.db2.gz XQBDSLXAAFXVOL-AWEZNQCLSA-N 1 2 325.206 2.178 20 30 EEEDLO N#Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cc1Cl ZINC000597706448 468646026 /nfs/dbraw/zinc/64/60/26/468646026.db2.gz GHWRHJKJKDIYIO-HNNXBMFYSA-N 1 2 333.819 2.148 20 30 EEEDLO C[C@@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)CC2(CCCC2)O1 ZINC000592186751 468649515 /nfs/dbraw/zinc/64/95/15/468649515.db2.gz FNNDYTXIPHLIHR-OAHLLOKOSA-N 1 2 327.428 2.208 20 30 EEEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)CC2(CCCC2)O1 ZINC000592186751 468649518 /nfs/dbraw/zinc/64/95/18/468649518.db2.gz FNNDYTXIPHLIHR-OAHLLOKOSA-N 1 2 327.428 2.208 20 30 EEEDLO Cc1cc(C)c(NC(=O)C(=O)NCCc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000595080439 468753617 /nfs/dbraw/zinc/75/36/17/468753617.db2.gz LWURTFVNYVGUAJ-UHFFFAOYSA-N 1 2 336.395 2.176 20 30 EEEDLO N#CCc1ccccc1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000601368535 468845420 /nfs/dbraw/zinc/84/54/20/468845420.db2.gz WPCXQKWOKWRQTK-CQSZACIVSA-N 1 2 330.413 2.044 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611660 468922670 /nfs/dbraw/zinc/92/26/70/468922670.db2.gz MQGJVGRSASRRAM-KBPBESRZSA-N 1 2 329.400 2.410 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611660 468922673 /nfs/dbraw/zinc/92/26/73/468922673.db2.gz MQGJVGRSASRRAM-KBPBESRZSA-N 1 2 329.400 2.410 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1)C1CC1 ZINC000562285021 468930823 /nfs/dbraw/zinc/93/08/23/468930823.db2.gz NCGWDPAYMJARIC-GOSISDBHSA-N 1 2 325.412 2.048 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1)C1CC1 ZINC000562285021 468930824 /nfs/dbraw/zinc/93/08/24/468930824.db2.gz NCGWDPAYMJARIC-GOSISDBHSA-N 1 2 325.412 2.048 20 30 EEEDLO Cc1cccn2cc(CN3CCN(c4nccnc4C#N)C[C@@H]3C)[nH+]c12 ZINC000610683045 469037807 /nfs/dbraw/zinc/03/78/07/469037807.db2.gz AZMRSDMOIDHZKI-HNNXBMFYSA-N 1 2 347.426 2.015 20 30 EEEDLO CC[C@H](C#N)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000593571292 469041147 /nfs/dbraw/zinc/04/11/47/469041147.db2.gz REGJLTBUGGULCC-UHOFOFEASA-N 1 2 335.835 2.378 20 30 EEEDLO CC[C@H](C#N)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000593571292 469041153 /nfs/dbraw/zinc/04/11/53/469041153.db2.gz REGJLTBUGGULCC-UHOFOFEASA-N 1 2 335.835 2.378 20 30 EEEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000562699182 469041212 /nfs/dbraw/zinc/04/12/12/469041212.db2.gz VVPJBRNFAQNCQD-VCBZYWHSSA-N 1 2 340.427 2.211 20 30 EEEDLO COc1ccc(C(=O)N2CC[NH+](CC3(CC#N)CC3)CC2)cc1OC ZINC000602768954 469062909 /nfs/dbraw/zinc/06/29/09/469062909.db2.gz YHSRXOYHPPHXEL-UHFFFAOYSA-N 1 2 343.427 2.155 20 30 EEEDLO CCNc1nc(N[C@@H](C)c2cccc(C#N)c2)nc(NC(C)(C)C)[nH+]1 ZINC000587989024 469099231 /nfs/dbraw/zinc/09/92/31/469099231.db2.gz ZYWIBAVYIHJQTP-LBPRGKRZSA-N 1 2 339.447 2.402 20 30 EEEDLO CCNc1nc(NC(C)(C)C)nc(N[C@@H](C)c2cccc(C#N)c2)[nH+]1 ZINC000587989024 469099236 /nfs/dbraw/zinc/09/92/36/469099236.db2.gz ZYWIBAVYIHJQTP-LBPRGKRZSA-N 1 2 339.447 2.402 20 30 EEEDLO CCNc1nc(N[C@@H](C)c2cccc(C#N)c2)[nH+]c(NC(C)(C)C)n1 ZINC000587989024 469099239 /nfs/dbraw/zinc/09/92/39/469099239.db2.gz ZYWIBAVYIHJQTP-LBPRGKRZSA-N 1 2 339.447 2.402 20 30 EEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C)Cc1cc(Br)cs1 ZINC000602865106 469127296 /nfs/dbraw/zinc/12/72/96/469127296.db2.gz WJCVKDOMECPZRK-VIFPVBQESA-N 1 2 330.251 2.361 20 30 EEEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)cn1 ZINC000611072269 469154066 /nfs/dbraw/zinc/15/40/66/469154066.db2.gz OUBJYCPHOBNKET-UHFFFAOYSA-N 1 2 328.372 2.242 20 30 EEEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)cn1 ZINC000611072269 469154075 /nfs/dbraw/zinc/15/40/75/469154075.db2.gz OUBJYCPHOBNKET-UHFFFAOYSA-N 1 2 328.372 2.242 20 30 EEEDLO Cc1noc(C)c1CC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000611126797 469169016 /nfs/dbraw/zinc/16/90/16/469169016.db2.gz CQLKFVXLAZOPAB-UHFFFAOYSA-N 1 2 341.415 2.393 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c1 ZINC000588845792 469171935 /nfs/dbraw/zinc/17/19/35/469171935.db2.gz QKOPKIMPCCZTTM-UHFFFAOYSA-N 1 2 329.429 2.121 20 30 EEEDLO COc1cncc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000588962335 469184561 /nfs/dbraw/zinc/18/45/61/469184561.db2.gz UNAZJSNWVHGERS-UHFFFAOYSA-N 1 2 339.399 2.149 20 30 EEEDLO COC(=O)[C@@]1([NH2+]C[C@H](O)COc2ccccc2C#N)CC[C@@H](C)CC1 ZINC000599466015 469267589 /nfs/dbraw/zinc/26/75/89/469267589.db2.gz XRSJHSHDMNYPMU-QOKNQOGYSA-N 1 2 346.427 2.009 20 30 EEEDLO CC1(C)C[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1c1ccncc1 ZINC000596590812 469308465 /nfs/dbraw/zinc/30/84/65/469308465.db2.gz GSZHQPHOZOVHDD-KRWDZBQOSA-N 1 2 325.416 2.120 20 30 EEEDLO CC1(C)C[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1c1ccncc1 ZINC000596590812 469308468 /nfs/dbraw/zinc/30/84/68/469308468.db2.gz GSZHQPHOZOVHDD-KRWDZBQOSA-N 1 2 325.416 2.120 20 30 EEEDLO CC(C)(C)OC(=O)C(C)(C)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000599672302 469333052 /nfs/dbraw/zinc/33/30/52/469333052.db2.gz KYFVOCHKKALSFU-CQSZACIVSA-N 1 2 334.416 2.008 20 30 EEEDLO C[C@H](Nc1c(C#N)cnn1-c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000603287345 469337016 /nfs/dbraw/zinc/33/70/16/469337016.db2.gz GFHWYEGCONCEPM-GJZGRUSLSA-N 1 2 325.416 2.265 20 30 EEEDLO Cc1onc(CC(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)c1C#N ZINC000619777970 469680639 /nfs/dbraw/zinc/68/06/39/469680639.db2.gz JWBVXWXUGWYFSL-INIZCTEOSA-N 1 2 344.802 2.224 20 30 EEEDLO C[N@H+](Cc1ccsc1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000609121614 469892062 /nfs/dbraw/zinc/89/20/62/469892062.db2.gz JTGGHQAKQHOAJW-HNNXBMFYSA-N 1 2 325.393 2.384 20 30 EEEDLO C[N@@H+](Cc1ccsc1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000609121614 469892064 /nfs/dbraw/zinc/89/20/64/469892064.db2.gz JTGGHQAKQHOAJW-HNNXBMFYSA-N 1 2 325.393 2.384 20 30 EEEDLO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cc(O)cc(C#N)c2)cc1 ZINC000614370587 469922096 /nfs/dbraw/zinc/92/20/96/469922096.db2.gz OTUJAGWHZMTUBQ-UHFFFAOYSA-N 1 2 338.367 2.016 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000609487229 469933288 /nfs/dbraw/zinc/93/32/88/469933288.db2.gz YSFPLXMYPXVVCL-IEBWSBKVSA-N 1 2 342.487 2.372 20 30 EEEDLO Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609538757 469937524 /nfs/dbraw/zinc/93/75/24/469937524.db2.gz XPSBNLUXXQLBKP-IEBWSBKVSA-N 1 2 342.487 2.166 20 30 EEEDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000610003940 469974095 /nfs/dbraw/zinc/97/40/95/469974095.db2.gz RHACLNOQBADCKX-AWEZNQCLSA-N 1 2 328.391 2.401 20 30 EEEDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000610003940 469974097 /nfs/dbraw/zinc/97/40/97/469974097.db2.gz RHACLNOQBADCKX-AWEZNQCLSA-N 1 2 328.391 2.401 20 30 EEEDLO CC#CC[NH2+]Cc1cn(CCOc2ccc(C(F)(F)F)cc2)nn1 ZINC000641028202 471168530 /nfs/dbraw/zinc/16/85/30/471168530.db2.gz CCEPAMKBSBLDDJ-UHFFFAOYSA-N 1 2 338.333 2.489 20 30 EEEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)C1 ZINC000658438120 471305525 /nfs/dbraw/zinc/30/55/25/471305525.db2.gz ZFPKBXLECHZDOT-CQSZACIVSA-N 1 2 326.400 2.396 20 30 EEEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000658703991 471373041 /nfs/dbraw/zinc/37/30/41/471373041.db2.gz VXQQAHODWKQXPF-GVDBMIGSSA-N 1 2 344.459 2.107 20 30 EEEDLO N#CCCn1cc(C(=O)CN2CCn3c[nH+]cc3C2)c2ccccc21 ZINC000660580600 471401377 /nfs/dbraw/zinc/40/13/77/471401377.db2.gz RUBRNTJOLVLUPW-UHFFFAOYSA-N 1 2 333.395 2.450 20 30 EEEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000669188630 471414361 /nfs/dbraw/zinc/41/43/61/471414361.db2.gz BPRQKOQKTTXJMA-QAPCUYQASA-N 1 2 341.455 2.104 20 30 EEEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000669188630 471414367 /nfs/dbraw/zinc/41/43/67/471414367.db2.gz BPRQKOQKTTXJMA-QAPCUYQASA-N 1 2 341.455 2.104 20 30 EEEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000673740511 485515068 /nfs/dbraw/zinc/51/50/68/485515068.db2.gz XZKZMCQKALRSQO-UHFFFAOYSA-N 1 2 337.383 2.432 20 30 EEEDLO Cc1cn2ccc(C(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)cc2[nH+]1 ZINC000602152216 485636152 /nfs/dbraw/zinc/63/61/52/485636152.db2.gz GOYRKLKZLOPANL-MRXNPFEDSA-N 1 2 347.378 2.203 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000685783794 486184844 /nfs/dbraw/zinc/18/48/44/486184844.db2.gz YBZHAIOVLKGEPD-KSSFIOAISA-N 1 2 335.448 2.158 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000685783794 486184850 /nfs/dbraw/zinc/18/48/50/486184850.db2.gz YBZHAIOVLKGEPD-KSSFIOAISA-N 1 2 335.448 2.158 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2OCC[C@H]2C)[C@H]1CC ZINC001087731227 782145248 /nfs/dbraw/zinc/14/52/48/782145248.db2.gz BDEALKKJFWBGQJ-CABNGKKXSA-N 1 2 345.281 2.289 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2OCC[C@H]2C)[C@H]1CC ZINC001087731227 782145254 /nfs/dbraw/zinc/14/52/54/782145254.db2.gz BDEALKKJFWBGQJ-CABNGKKXSA-N 1 2 345.281 2.289 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000378141651 526588351 /nfs/dbraw/zinc/58/83/51/526588351.db2.gz KZJGGMPWOKZFCC-CQSZACIVSA-N 1 2 342.399 2.367 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000378141651 526588358 /nfs/dbraw/zinc/58/83/58/526588358.db2.gz KZJGGMPWOKZFCC-CQSZACIVSA-N 1 2 342.399 2.367 20 30 EEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCCOc1ccc(C(F)(F)F)cc1 ZINC000112335772 526689671 /nfs/dbraw/zinc/68/96/71/526689671.db2.gz WOZHBGOFYLNMRN-UHFFFAOYSA-N 1 2 347.337 2.288 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000111858401 526943693 /nfs/dbraw/zinc/94/36/93/526943693.db2.gz GUKVYVMDHGOMEF-HOTGVXAUSA-N 1 2 347.459 2.160 20 30 EEEDLO C=CCc1cc(C[NH+]2CCN(Cc3ccon3)CC2)cc(OC)c1O ZINC000093560934 527236345 /nfs/dbraw/zinc/23/63/45/527236345.db2.gz RASQEUIYSJUEHY-UHFFFAOYSA-N 1 2 343.427 2.435 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2c(C)nn(C)c2F)C1 ZINC001034510236 1196313423 /nfs/dbraw/zinc/31/34/23/1196313423.db2.gz SYBQLMMKHVQCBM-LBPRGKRZSA-N 1 2 328.819 2.204 20 30 EEEDLO N#CCCN(C(=O)C[N@@H+]1CCCC[C@H]1C1OCCO1)c1ccccc1 ZINC000726881791 576307005 /nfs/dbraw/zinc/30/70/05/576307005.db2.gz WZFWWGBQKZYDPK-KRWDZBQOSA-N 1 2 343.427 2.161 20 30 EEEDLO N#CCCN(C(=O)C[N@H+]1CCCC[C@H]1C1OCCO1)c1ccccc1 ZINC000726881791 576307009 /nfs/dbraw/zinc/30/70/09/576307009.db2.gz WZFWWGBQKZYDPK-KRWDZBQOSA-N 1 2 343.427 2.161 20 30 EEEDLO O=C1Nc2cc3c(cc2C1=NNc1cc[nH+]c2ccccc12)OCCO3 ZINC000730146932 576720632 /nfs/dbraw/zinc/72/06/32/576720632.db2.gz IBZWZLSDMFYNJH-UHFFFAOYSA-N 1 2 346.346 2.196 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000732097373 577148173 /nfs/dbraw/zinc/14/81/73/577148173.db2.gz DZLRRYNSDGJKCG-KRWDZBQOSA-N 1 2 349.438 2.318 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000732097373 577148175 /nfs/dbraw/zinc/14/81/75/577148175.db2.gz DZLRRYNSDGJKCG-KRWDZBQOSA-N 1 2 349.438 2.318 20 30 EEEDLO CC(CS(=O)(=O)c1ccc(C)cc1)=NNCC[NH+]1CCCCC1 ZINC000734298754 577287789 /nfs/dbraw/zinc/28/77/89/577287789.db2.gz KHHGBWJUMHADDE-UHFFFAOYSA-N 1 2 337.489 2.220 20 30 EEEDLO CCn1c(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)nc2ccccc21 ZINC000734507432 577304138 /nfs/dbraw/zinc/30/41/38/577304138.db2.gz YWUOMCQGAJFXTM-SFHVURJKSA-N 1 2 333.395 2.244 20 30 EEEDLO COCC[N@H+](CCC#N)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000775609838 577440729 /nfs/dbraw/zinc/44/07/29/577440729.db2.gz YMDFAAAEYOFUER-AWEZNQCLSA-N 1 2 345.212 2.484 20 30 EEEDLO COCC[N@@H+](CCC#N)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000775609838 577440730 /nfs/dbraw/zinc/44/07/30/577440730.db2.gz YMDFAAAEYOFUER-AWEZNQCLSA-N 1 2 345.212 2.484 20 30 EEEDLO CCN(CC)c1ccc(C=[NH+]Nc2nc3c(cnn3C)c(=O)[nH]2)cc1 ZINC000769816155 577585204 /nfs/dbraw/zinc/58/52/04/577585204.db2.gz CACAKLHCJVUXJO-UHFFFAOYSA-N 1 2 339.403 2.361 20 30 EEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000769977521 577588356 /nfs/dbraw/zinc/58/83/56/577588356.db2.gz IAKIYYVGZOPQDH-AWEZNQCLSA-N 1 2 339.395 2.102 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000769977521 577588357 /nfs/dbraw/zinc/58/83/57/577588357.db2.gz IAKIYYVGZOPQDH-AWEZNQCLSA-N 1 2 339.395 2.102 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[C@@H](C)C(=O)OC)cc1 ZINC000759321366 577640950 /nfs/dbraw/zinc/64/09/50/577640950.db2.gz MFBIJHVPNLSULH-PBHICJAKSA-N 1 2 328.412 2.074 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[C@@H](C)C(=O)OC)cc1 ZINC000759321366 577640951 /nfs/dbraw/zinc/64/09/51/577640951.db2.gz MFBIJHVPNLSULH-PBHICJAKSA-N 1 2 328.412 2.074 20 30 EEEDLO O=C1Nc2cccc(Cl)c2C1=NNc1ccc(-n2cc[nH+]c2)nn1 ZINC000761836767 577689773 /nfs/dbraw/zinc/68/97/73/577689773.db2.gz AUCUYOIDROEPHS-UHFFFAOYSA-N 1 2 339.746 2.084 20 30 EEEDLO C#CCOCCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000752503205 577771858 /nfs/dbraw/zinc/77/18/58/577771858.db2.gz ZOVOBKDIZQLNGU-HOTGVXAUSA-N 1 2 345.443 2.067 20 30 EEEDLO CCN(CC)c1ccc(C=[NH+]N2C(=S)N=NC2CCOC)cc1 ZINC000743446498 577885386 /nfs/dbraw/zinc/88/53/86/577885386.db2.gz WVPPJNNVTVJUJP-UHFFFAOYSA-N 1 2 333.461 2.484 20 30 EEEDLO C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000745104523 577909127 /nfs/dbraw/zinc/90/91/27/577909127.db2.gz NCUGYDFFFNSRHH-RDJZCZTQSA-N 1 2 330.428 2.275 20 30 EEEDLO C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000745104523 577909128 /nfs/dbraw/zinc/90/91/28/577909128.db2.gz NCUGYDFFFNSRHH-RDJZCZTQSA-N 1 2 330.428 2.275 20 30 EEEDLO Cn1cc(C[NH+]2CCN(c3nc4ccccc4cc3C#N)CC2)cn1 ZINC000750029588 577985909 /nfs/dbraw/zinc/98/59/09/577985909.db2.gz PINMTPIHLNZTHN-UHFFFAOYSA-N 1 2 332.411 2.162 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC000969235402 674738727 /nfs/dbraw/zinc/73/87/27/674738727.db2.gz DRDAJJFTVSINGB-FCEWJHQRSA-N 1 2 344.459 2.146 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC000969235402 674738728 /nfs/dbraw/zinc/73/87/28/674738728.db2.gz DRDAJJFTVSINGB-FCEWJHQRSA-N 1 2 344.459 2.146 20 30 EEEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2ccncc2Cl)C1 ZINC000969527599 675089629 /nfs/dbraw/zinc/08/96/29/675089629.db2.gz YKCQWSUGVRNTMC-LLVKDONJSA-N 1 2 343.818 2.185 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC000970512235 675950410 /nfs/dbraw/zinc/95/04/10/675950410.db2.gz GJHHWACDWNFAHC-BDJLRTHQSA-N 1 2 338.810 2.318 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3C#N)C2)c(C)n1 ZINC000970604691 676016863 /nfs/dbraw/zinc/01/68/63/676016863.db2.gz IFTDNQHYOJUALH-ZDUSSCGKSA-N 1 2 349.438 2.215 20 30 EEEDLO CC1(CC(=O)N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)CC1 ZINC000949348242 676028525 /nfs/dbraw/zinc/02/85/25/676028525.db2.gz VUTQXVFZZVXLBP-UHFFFAOYSA-N 1 2 327.428 2.423 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC000970687317 676077855 /nfs/dbraw/zinc/07/78/55/676077855.db2.gz YNYRWTQCQQLPJP-LBPRGKRZSA-N 1 2 345.834 2.274 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnn(C)c2C(F)F)C1 ZINC000970723681 676104020 /nfs/dbraw/zinc/10/40/20/676104020.db2.gz ZVXSNHUKZGZILM-SECBINFHSA-N 1 2 332.782 2.160 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnc3onc(C)c3c2)C1 ZINC000970244602 675748711 /nfs/dbraw/zinc/74/87/11/675748711.db2.gz LKAIMJXWHQOPLG-JTQLQIEISA-N 1 2 334.807 2.334 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001021670763 676326254 /nfs/dbraw/zinc/32/62/54/676326254.db2.gz OIIDIQGSWYTKHL-DOMZBBRYSA-N 1 2 336.386 2.297 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001021670763 676326256 /nfs/dbraw/zinc/32/62/56/676326256.db2.gz OIIDIQGSWYTKHL-DOMZBBRYSA-N 1 2 336.386 2.297 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(-c3ccccc3)n2)C1 ZINC000971210934 676443366 /nfs/dbraw/zinc/44/33/66/676443366.db2.gz LGKIRPAGEPRVOQ-CRAIPNDOSA-N 1 2 337.427 2.065 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(-c3ccccc3)n2)C1 ZINC000971210934 676443367 /nfs/dbraw/zinc/44/33/67/676443367.db2.gz LGKIRPAGEPRVOQ-CRAIPNDOSA-N 1 2 337.427 2.065 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3oc(CC4CC4)nc3C)C2)C1 ZINC000972383136 678632885 /nfs/dbraw/zinc/63/28/85/678632885.db2.gz XKPYUINYMLMWTP-IBGZPJMESA-N 1 2 345.443 2.038 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3oc(CC4CC4)nc3C)C2)C1 ZINC000972383136 678632887 /nfs/dbraw/zinc/63/28/87/678632887.db2.gz XKPYUINYMLMWTP-IBGZPJMESA-N 1 2 345.443 2.038 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3conc3C3CCCC3)C2)C1 ZINC000972405967 678693934 /nfs/dbraw/zinc/69/39/34/678693934.db2.gz WYNBOBZCSNTDKO-IBGZPJMESA-N 1 2 345.443 2.435 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3conc3C3CCCC3)C2)C1 ZINC000972405967 678693937 /nfs/dbraw/zinc/69/39/37/678693937.db2.gz WYNBOBZCSNTDKO-IBGZPJMESA-N 1 2 345.443 2.435 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4cc(C)cn4c3)C2)C1 ZINC000972406147 678697734 /nfs/dbraw/zinc/69/77/34/678697734.db2.gz ZMQLYTXKTJZGPE-FQEVSTJZSA-N 1 2 339.439 2.351 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4cc(C)cn4c3)C2)C1 ZINC000972406147 678697736 /nfs/dbraw/zinc/69/77/36/678697736.db2.gz ZMQLYTXKTJZGPE-FQEVSTJZSA-N 1 2 339.439 2.351 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(C)(C)C)on3)C2)C1 ZINC000972461426 678794022 /nfs/dbraw/zinc/79/40/22/678794022.db2.gz SCOWIXASQNRQPW-GOSISDBHSA-N 1 2 333.432 2.075 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(C)(C)C)on3)C2)C1 ZINC000972461426 678794025 /nfs/dbraw/zinc/79/40/25/678794025.db2.gz SCOWIXASQNRQPW-GOSISDBHSA-N 1 2 333.432 2.075 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4cc(C)ccc4[nH]3)C2)C1 ZINC000972493069 678911803 /nfs/dbraw/zinc/91/18/03/678911803.db2.gz VKIGTNFDJXEUES-FQEVSTJZSA-N 1 2 337.423 2.026 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4cc(C)ccc4[nH]3)C2)C1 ZINC000972493069 678911805 /nfs/dbraw/zinc/91/18/05/678911805.db2.gz VKIGTNFDJXEUES-FQEVSTJZSA-N 1 2 337.423 2.026 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](c3ccccc3)C(C)C)C2)C1 ZINC000972570154 679323305 /nfs/dbraw/zinc/32/33/05/679323305.db2.gz TYEMYYKMVAEELX-FPOVZHCZSA-N 1 2 340.467 2.363 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](c3ccccc3)C(C)C)C2)C1 ZINC000972570154 679323308 /nfs/dbraw/zinc/32/33/08/679323308.db2.gz TYEMYYKMVAEELX-FPOVZHCZSA-N 1 2 340.467 2.363 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(Cl)cs3)C2)C1 ZINC000972582585 679350480 /nfs/dbraw/zinc/35/04/80/679350480.db2.gz MVIWMIILSJVIAL-INIZCTEOSA-N 1 2 338.860 2.342 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(Cl)cs3)C2)C1 ZINC000972582585 679350483 /nfs/dbraw/zinc/35/04/83/679350483.db2.gz MVIWMIILSJVIAL-INIZCTEOSA-N 1 2 338.860 2.342 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(c4cccc(F)c4)CC3)C2)C1 ZINC000972582712 679350865 /nfs/dbraw/zinc/35/08/65/679350865.db2.gz QRMUODKDVPYNQR-LJQANCHMSA-N 1 2 344.430 2.347 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(c4cccc(F)c4)CC3)C2)C1 ZINC000972582712 679350868 /nfs/dbraw/zinc/35/08/68/679350868.db2.gz QRMUODKDVPYNQR-LJQANCHMSA-N 1 2 344.430 2.347 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC001023602555 679407836 /nfs/dbraw/zinc/40/78/36/679407836.db2.gz HBMIUUVJHHMHLB-IMJJTQAJSA-N 1 2 335.473 2.062 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC001023602555 679407838 /nfs/dbraw/zinc/40/78/38/679407838.db2.gz HBMIUUVJHHMHLB-IMJJTQAJSA-N 1 2 335.473 2.062 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)COc3ccc(C)cc3C)C2)C1 ZINC000972668728 679557501 /nfs/dbraw/zinc/55/75/01/679557501.db2.gz CCDSRJIMGYYLAV-HXUWFJFHSA-N 1 2 344.455 2.172 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)COc3ccc(C)cc3C)C2)C1 ZINC000972668728 679557506 /nfs/dbraw/zinc/55/75/06/679557506.db2.gz CCDSRJIMGYYLAV-HXUWFJFHSA-N 1 2 344.455 2.172 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc(CC(C)C)s3)C2)C1 ZINC000972696920 679623067 /nfs/dbraw/zinc/62/30/67/679623067.db2.gz QRSGSBNTQDKCFG-GOSISDBHSA-N 1 2 349.500 2.445 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc(CC(C)C)s3)C2)C1 ZINC000972696920 679623072 /nfs/dbraw/zinc/62/30/72/679623072.db2.gz QRSGSBNTQDKCFG-GOSISDBHSA-N 1 2 349.500 2.445 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCC(C)=C(C)C3)C2)C1 ZINC000972697395 679625116 /nfs/dbraw/zinc/62/51/16/679625116.db2.gz WKPOPPUZDDTXIZ-UXHICEINSA-N 1 2 330.472 2.450 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCC(C)=C(C)C3)C2)C1 ZINC000972697395 679625119 /nfs/dbraw/zinc/62/51/19/679625119.db2.gz WKPOPPUZDDTXIZ-UXHICEINSA-N 1 2 330.472 2.450 20 30 EEEDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1nccs1 ZINC000947205698 679860188 /nfs/dbraw/zinc/86/01/88/679860188.db2.gz VELWHXFHVFJCMK-WCQYABFASA-N 1 2 329.429 2.126 20 30 EEEDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1nccs1 ZINC000947205698 679860189 /nfs/dbraw/zinc/86/01/89/679860189.db2.gz VELWHXFHVFJCMK-WCQYABFASA-N 1 2 329.429 2.126 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1CNC(=O)c1cncnc1 ZINC001024406113 679890939 /nfs/dbraw/zinc/89/09/39/679890939.db2.gz KDUIWRKTQVRLMN-SFHVURJKSA-N 1 2 335.411 2.133 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CNC(=O)c1cncnc1 ZINC001024406113 679890940 /nfs/dbraw/zinc/89/09/40/679890940.db2.gz KDUIWRKTQVRLMN-SFHVURJKSA-N 1 2 335.411 2.133 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2nnc(C)n2c1 ZINC001024516805 680022305 /nfs/dbraw/zinc/02/23/05/680022305.db2.gz OEEUSSNVOLWVTI-OAHLLOKOSA-N 1 2 347.850 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2nnc(C)n2c1 ZINC001024516805 680022308 /nfs/dbraw/zinc/02/23/08/680022308.db2.gz OEEUSSNVOLWVTI-OAHLLOKOSA-N 1 2 347.850 2.375 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2n[nH]cc2F)s1 ZINC001024635398 681300315 /nfs/dbraw/zinc/30/03/15/681300315.db2.gz ALKCPQLHWIVLCZ-LLVKDONJSA-N 1 2 347.419 2.266 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2n[nH]cc2F)s1 ZINC001024635398 681300317 /nfs/dbraw/zinc/30/03/17/681300317.db2.gz ALKCPQLHWIVLCZ-LLVKDONJSA-N 1 2 347.419 2.266 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1c(C)nn(C)c1OC ZINC001024685779 681345920 /nfs/dbraw/zinc/34/59/20/681345920.db2.gz NFCHNWDWXDHPJY-ZDUSSCGKSA-N 1 2 340.855 2.074 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1c(C)nn(C)c1OC ZINC001024685779 681345926 /nfs/dbraw/zinc/34/59/26/681345926.db2.gz NFCHNWDWXDHPJY-ZDUSSCGKSA-N 1 2 340.855 2.074 20 30 EEEDLO Cc1cnc(C[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)s1 ZINC000973005399 681831358 /nfs/dbraw/zinc/83/13/58/681831358.db2.gz FYROLNULBSOSDH-CQSZACIVSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1cnc(C[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)s1 ZINC000973005399 681831365 /nfs/dbraw/zinc/83/13/65/681831365.db2.gz FYROLNULBSOSDH-CQSZACIVSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1nc(C[N@@H+]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)c(C)o1 ZINC000973007589 681833518 /nfs/dbraw/zinc/83/35/18/681833518.db2.gz AFYJUCFXBNKNNE-INIZCTEOSA-N 1 2 341.415 2.132 20 30 EEEDLO Cc1nc(C[N@H+]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)c(C)o1 ZINC000973007589 681833522 /nfs/dbraw/zinc/83/35/22/681833522.db2.gz AFYJUCFXBNKNNE-INIZCTEOSA-N 1 2 341.415 2.132 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1[nH]nnc1C ZINC001025257723 682335842 /nfs/dbraw/zinc/33/58/42/682335842.db2.gz GLFDANMATNPHRR-UONOGXRCSA-N 1 2 337.855 2.325 20 30 EEEDLO O=C(CCc1cn[nH]c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029507073 685604398 /nfs/dbraw/zinc/60/43/98/685604398.db2.gz QQODPZMQOWEFJU-BGYRXZFFSA-N 1 2 348.450 2.069 20 30 EEEDLO O=C(CCc1cn[nH]c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029507073 685604401 /nfs/dbraw/zinc/60/44/01/685604401.db2.gz QQODPZMQOWEFJU-BGYRXZFFSA-N 1 2 348.450 2.069 20 30 EEEDLO C=C1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](Cc3nncn3C)C2)CC1 ZINC001025524202 682951096 /nfs/dbraw/zinc/95/10/96/682951096.db2.gz TVTFPNBTIMVGFJ-WBVHZDCISA-N 1 2 345.491 2.278 20 30 EEEDLO C=C1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](Cc3nncn3C)C2)CC1 ZINC001025524202 682951097 /nfs/dbraw/zinc/95/10/97/682951097.db2.gz TVTFPNBTIMVGFJ-WBVHZDCISA-N 1 2 345.491 2.278 20 30 EEEDLO N#Cc1c(Cl)nsc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000894841461 683177631 /nfs/dbraw/zinc/17/76/31/683177631.db2.gz WTLBALDLTJDAHB-UHFFFAOYSA-N 1 2 333.848 2.428 20 30 EEEDLO CC1(C)CCc2cc(C[NH+]3CCN(C(=O)CC#N)CC3)ccc2O1 ZINC000895065691 683657536 /nfs/dbraw/zinc/65/75/36/683657536.db2.gz HKJFXYUFCUKIDT-UHFFFAOYSA-N 1 2 327.428 2.348 20 30 EEEDLO C[C@H]1CCCC[C@@H]1OCCNC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000178151288 683790730 /nfs/dbraw/zinc/79/07/30/683790730.db2.gz PPZHBFITNIUBHG-HOCLYGCPSA-N 1 2 333.432 2.035 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2ccon2)CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000993055497 683810440 /nfs/dbraw/zinc/81/04/40/683810440.db2.gz UZCQFUUHPFGRNN-RHSMWYFYSA-N 1 2 341.386 2.448 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2ccon2)CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000993055497 683810444 /nfs/dbraw/zinc/81/04/44/683810444.db2.gz UZCQFUUHPFGRNN-RHSMWYFYSA-N 1 2 341.386 2.448 20 30 EEEDLO CC(C)(O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(F)cc1 ZINC001029290410 683867233 /nfs/dbraw/zinc/86/72/33/683867233.db2.gz PHDIVUQWAIWRPH-HDICACEKSA-N 1 2 344.430 2.013 20 30 EEEDLO CC(C)(O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001029290410 683867239 /nfs/dbraw/zinc/86/72/39/683867239.db2.gz PHDIVUQWAIWRPH-HDICACEKSA-N 1 2 344.430 2.013 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cocn2)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000993108471 683932013 /nfs/dbraw/zinc/93/20/13/683932013.db2.gz PNCDFLBDOZOPGH-LRDDRELGSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cocn2)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000993108471 683932015 /nfs/dbraw/zinc/93/20/15/683932015.db2.gz PNCDFLBDOZOPGH-LRDDRELGSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccnn2C)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993113185 683939340 /nfs/dbraw/zinc/93/93/40/683939340.db2.gz UNWXCOIPAKBRSG-PBHICJAKSA-N 1 2 337.427 2.075 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccnn2C)CCC[N@H+]1Cc1ccccc1C#N ZINC000993113185 683939345 /nfs/dbraw/zinc/93/93/45/683939345.db2.gz UNWXCOIPAKBRSG-PBHICJAKSA-N 1 2 337.427 2.075 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cnsn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993124298 683958134 /nfs/dbraw/zinc/95/81/34/683958134.db2.gz ZXFRUFSIEXZWMZ-IUODEOHRSA-N 1 2 341.440 2.193 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cnsn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993124298 683958136 /nfs/dbraw/zinc/95/81/36/683958136.db2.gz ZXFRUFSIEXZWMZ-IUODEOHRSA-N 1 2 341.440 2.193 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ocnc1C ZINC001029337474 684032078 /nfs/dbraw/zinc/03/20/78/684032078.db2.gz DYAKKHHKAGEQGQ-IYBDPMFKSA-N 1 2 340.427 2.460 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ocnc1C ZINC001029337474 684032080 /nfs/dbraw/zinc/03/20/80/684032080.db2.gz DYAKKHHKAGEQGQ-IYBDPMFKSA-N 1 2 340.427 2.460 20 30 EEEDLO CC(=O)OC1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000153447862 684036830 /nfs/dbraw/zinc/03/68/30/684036830.db2.gz VBGDPSNSKAULNE-NSHDSACASA-N 1 2 333.388 2.123 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC001027664574 693847470 /nfs/dbraw/zinc/84/74/70/693847470.db2.gz WPKAAFVGMKGOPM-LJQANCHMSA-N 1 2 348.450 2.123 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC001027664574 693847473 /nfs/dbraw/zinc/84/74/73/693847473.db2.gz WPKAAFVGMKGOPM-LJQANCHMSA-N 1 2 348.450 2.123 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCCC[C@H]1C ZINC001029422859 684480583 /nfs/dbraw/zinc/48/05/83/684480583.db2.gz JPAXAVVYAMKGFJ-ZACQAIPSSA-N 1 2 347.503 2.275 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCCC[C@H]1C ZINC001029422859 684480587 /nfs/dbraw/zinc/48/05/87/684480587.db2.gz JPAXAVVYAMKGFJ-ZACQAIPSSA-N 1 2 347.503 2.275 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccnn2C)CC1 ZINC001029454643 684705166 /nfs/dbraw/zinc/70/51/66/684705166.db2.gz GFVYJQDHPZWTMJ-HDICACEKSA-N 1 2 328.460 2.342 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccnn2C)CC1 ZINC001029454643 684705170 /nfs/dbraw/zinc/70/51/70/684705170.db2.gz GFVYJQDHPZWTMJ-HDICACEKSA-N 1 2 328.460 2.342 20 30 EEEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCc2ccc(OCC#N)cc2)[nH]n1 ZINC000896129658 684848302 /nfs/dbraw/zinc/84/83/02/684848302.db2.gz IPOCZSURHTXRJF-QGZVFWFLSA-N 1 2 339.399 2.009 20 30 EEEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCc2ccc(OCC#N)cc2)[nH]n1 ZINC000896129658 684848305 /nfs/dbraw/zinc/84/83/05/684848305.db2.gz IPOCZSURHTXRJF-QGZVFWFLSA-N 1 2 339.399 2.009 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000193728305 684873122 /nfs/dbraw/zinc/87/31/22/684873122.db2.gz GWCZICNTQQNCMZ-CZUORRHYSA-N 1 2 333.432 2.221 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000899906926 693919996 /nfs/dbraw/zinc/91/99/96/693919996.db2.gz UBYUIKOXCCVIIG-JTQLQIEISA-N 1 2 347.293 2.199 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000899906926 693920003 /nfs/dbraw/zinc/92/00/03/693920003.db2.gz UBYUIKOXCCVIIG-JTQLQIEISA-N 1 2 347.293 2.199 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3ncncc3C2)C(C)(C)C1 ZINC000974659968 685169978 /nfs/dbraw/zinc/16/99/78/685169978.db2.gz ALCTUTWBIVVZAT-CJNGLKHVSA-N 1 2 348.878 2.161 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3ncncc3C2)C(C)(C)C1 ZINC000974659968 685169982 /nfs/dbraw/zinc/16/99/82/685169982.db2.gz ALCTUTWBIVVZAT-CJNGLKHVSA-N 1 2 348.878 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2ccc(C(F)F)n2)C(C)(C)C1 ZINC000974664373 685190222 /nfs/dbraw/zinc/19/02/22/685190222.db2.gz LUVSXOUXRNGQIF-LBPRGKRZSA-N 1 2 346.809 2.400 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2ccc(C(F)F)n2)C(C)(C)C1 ZINC000974664373 685190225 /nfs/dbraw/zinc/19/02/25/685190225.db2.gz LUVSXOUXRNGQIF-LBPRGKRZSA-N 1 2 346.809 2.400 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3noc(CCC)n3)C2)C1 ZINC000984766829 685190494 /nfs/dbraw/zinc/19/04/94/685190494.db2.gz ZIQHXPGKWAZNQM-HDJSIYSDSA-N 1 2 332.448 2.363 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)CC1(C)C ZINC000975010542 686044609 /nfs/dbraw/zinc/04/46/09/686044609.db2.gz UOSRPKDYFXZQJN-QGZVFWFLSA-N 1 2 338.411 2.495 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC1(C)C ZINC000975010542 686044611 /nfs/dbraw/zinc/04/46/11/686044611.db2.gz UOSRPKDYFXZQJN-QGZVFWFLSA-N 1 2 338.411 2.495 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCC[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059562003 687111716 /nfs/dbraw/zinc/11/17/16/687111716.db2.gz CRMBJUZNGPORTA-HOTGVXAUSA-N 1 2 346.475 2.299 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2ncnn2CCC)C1 ZINC001029801092 687126933 /nfs/dbraw/zinc/12/69/33/687126933.db2.gz GSVMIKOBFCOVAL-OAHLLOKOSA-N 1 2 333.480 2.181 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](C[N@H+](C)Cc2ncnn2CCC)C1 ZINC001029801092 687126935 /nfs/dbraw/zinc/12/69/35/687126935.db2.gz GSVMIKOBFCOVAL-OAHLLOKOSA-N 1 2 333.480 2.181 20 30 EEEDLO C[N@H+](Cc1coc(C2CC2)n1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027408334 687981355 /nfs/dbraw/zinc/98/13/55/687981355.db2.gz MXBWSVKXVKGXRS-QGZVFWFLSA-N 1 2 327.428 2.388 20 30 EEEDLO C[N@@H+](Cc1coc(C2CC2)n1)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027408334 687981358 /nfs/dbraw/zinc/98/13/58/687981358.db2.gz MXBWSVKXVKGXRS-QGZVFWFLSA-N 1 2 327.428 2.388 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(CC)o3)[C@@H]2C)cc1 ZINC000986636576 688810172 /nfs/dbraw/zinc/81/01/72/688810172.db2.gz JPUWHOQINOVTNF-BBRMVZONSA-N 1 2 338.411 2.006 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc(C(F)(F)F)[nH]n2)C1 ZINC000989557436 692036762 /nfs/dbraw/zinc/03/67/62/692036762.db2.gz GYCYENNLZWDVFF-DTWKUNHWSA-N 1 2 336.745 2.374 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000977034290 692199545 /nfs/dbraw/zinc/19/95/45/692199545.db2.gz UCSSDBQNFHGPRH-HUUCEWRRSA-N 1 2 344.459 2.161 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccnc2N(C)C)C(C)(C)C1 ZINC000977590552 692786945 /nfs/dbraw/zinc/78/69/45/692786945.db2.gz TXVWQMACLFYVPC-CQSZACIVSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccnc2N(C)C)C(C)(C)C1 ZINC000977590552 692786949 /nfs/dbraw/zinc/78/69/49/692786949.db2.gz TXVWQMACLFYVPC-CQSZACIVSA-N 1 2 336.867 2.340 20 30 EEEDLO N#Cc1cc(C(=O)N[C@]23CCC[C@H]2[N@H+](Cc2nccs2)CC3)c[nH]1 ZINC000990267077 692793311 /nfs/dbraw/zinc/79/33/11/692793311.db2.gz PHWSHPKNQCOQJE-PBHICJAKSA-N 1 2 341.440 2.270 20 30 EEEDLO N#Cc1cc(C(=O)N[C@]23CCC[C@H]2[N@@H+](Cc2nccs2)CC3)c[nH]1 ZINC000990267077 692793317 /nfs/dbraw/zinc/79/33/17/692793317.db2.gz PHWSHPKNQCOQJE-PBHICJAKSA-N 1 2 341.440 2.270 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC23CCOCC3)C(C)(C)C1 ZINC000977679508 692896460 /nfs/dbraw/zinc/89/64/60/692896460.db2.gz LJKRMBRHBBCFPH-KBPBESRZSA-N 1 2 326.868 2.382 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2CC23CCOCC3)C(C)(C)C1 ZINC000977679508 692896464 /nfs/dbraw/zinc/89/64/64/692896464.db2.gz LJKRMBRHBBCFPH-KBPBESRZSA-N 1 2 326.868 2.382 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@@H+](C)[C@H](C)c3nnc(C)[nH]3)C2)C1 ZINC001027566780 693073088 /nfs/dbraw/zinc/07/30/88/693073088.db2.gz MIUAJECNFZLEJB-UKRRQHHQSA-N 1 2 331.464 2.453 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@H+](C)[C@H](C)c3nnc(C)[nH]3)C2)C1 ZINC001027566780 693073090 /nfs/dbraw/zinc/07/30/90/693073090.db2.gz MIUAJECNFZLEJB-UKRRQHHQSA-N 1 2 331.464 2.453 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(C(F)(F)F)no1 ZINC001480981612 1179420370 /nfs/dbraw/zinc/42/03/70/1179420370.db2.gz SZJGYPRXMFWRIY-UHFFFAOYSA-N 1 2 325.718 2.498 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(C(F)(F)F)no1 ZINC001480981612 1179420373 /nfs/dbraw/zinc/42/03/73/1179420373.db2.gz SZJGYPRXMFWRIY-UHFFFAOYSA-N 1 2 325.718 2.498 20 30 EEEDLO CCC1(CC)C[C@H]1C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001271881885 1186577299 /nfs/dbraw/zinc/57/72/99/1186577299.db2.gz NCCPYONPTRRWDT-KRWDZBQOSA-N 1 2 340.471 2.367 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cncs2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088483971 1187009301 /nfs/dbraw/zinc/00/93/01/1187009301.db2.gz HLCIQOMFNAFDPR-MFKMUULPSA-N 1 2 332.454 2.469 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cncs2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088483971 1187009307 /nfs/dbraw/zinc/00/93/07/1187009307.db2.gz HLCIQOMFNAFDPR-MFKMUULPSA-N 1 2 332.454 2.469 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cscn2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088492016 1187036756 /nfs/dbraw/zinc/03/67/56/1187036756.db2.gz BQPJSSQTUHUOTJ-DOMZBBRYSA-N 1 2 326.425 2.408 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cscn2)CC[N@H+]1Cc1ccccc1C#N ZINC001088492016 1187036758 /nfs/dbraw/zinc/03/67/58/1187036758.db2.gz BQPJSSQTUHUOTJ-DOMZBBRYSA-N 1 2 326.425 2.408 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1ccnc(Cl)c1 ZINC001088533393 1187178096 /nfs/dbraw/zinc/17/80/96/1187178096.db2.gz PKZNKXVDSRGLQN-ABAIWWIYSA-N 1 2 343.818 2.328 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1ccnc(Cl)c1 ZINC001088533393 1187178099 /nfs/dbraw/zinc/17/80/99/1187178099.db2.gz PKZNKXVDSRGLQN-ABAIWWIYSA-N 1 2 343.818 2.328 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)nn1 ZINC001088561428 1187376475 /nfs/dbraw/zinc/37/64/75/1187376475.db2.gz REHXUEATFJDBNV-PBHICJAKSA-N 1 2 335.411 2.050 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)nn1 ZINC001088561428 1187376479 /nfs/dbraw/zinc/37/64/79/1187376479.db2.gz REHXUEATFJDBNV-PBHICJAKSA-N 1 2 335.411 2.050 20 30 EEEDLO CCCC#CC(=O)N1CC[C@H]2C[N@H+](Cc3nc4ccccc4[nH]3)C[C@H]21 ZINC001272109719 1187915681 /nfs/dbraw/zinc/91/56/81/1187915681.db2.gz ROJMIURWHIEHGN-MAUKXSAKSA-N 1 2 336.439 2.399 20 30 EEEDLO CCCC#CC(=O)N1CC[C@H]2C[N@@H+](Cc3nc4ccccc4[nH]3)C[C@H]21 ZINC001272109719 1187915685 /nfs/dbraw/zinc/91/56/85/1187915685.db2.gz ROJMIURWHIEHGN-MAUKXSAKSA-N 1 2 336.439 2.399 20 30 EEEDLO CCOc1ccc(C=NOCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000842015506 1188226906 /nfs/dbraw/zinc/22/69/06/1188226906.db2.gz FHGBZKXJCVQHJN-IYBDPMFKSA-N 1 2 334.416 2.308 20 30 EEEDLO CCOc1ccc(C=NOCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000842015506 1188226911 /nfs/dbraw/zinc/22/69/11/1188226911.db2.gz FHGBZKXJCVQHJN-IYBDPMFKSA-N 1 2 334.416 2.308 20 30 EEEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1ncc(F)cc1F)CC2 ZINC001272819350 1193560996 /nfs/dbraw/zinc/56/09/96/1193560996.db2.gz WDFDZVRLPBHFLT-CQSZACIVSA-N 1 2 348.397 2.382 20 30 EEEDLO C[C@@]1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CC=CCC1 ZINC001083487908 1188511741 /nfs/dbraw/zinc/51/17/41/1188511741.db2.gz OJHBJAWNWPLHSR-SOLBZPMBSA-N 1 2 345.468 2.027 20 30 EEEDLO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CC=CCC1 ZINC001083487908 1188511743 /nfs/dbraw/zinc/51/17/43/1188511743.db2.gz OJHBJAWNWPLHSR-SOLBZPMBSA-N 1 2 345.468 2.027 20 30 EEEDLO Cc1cccc(-c2noc(C[NH2+]CCNC(=O)C#CC(C)(C)C)n2)c1 ZINC001126907497 1188605927 /nfs/dbraw/zinc/60/59/27/1188605927.db2.gz OSMKCYJCALDTIS-UHFFFAOYSA-N 1 2 340.427 2.300 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001076319709 1188850901 /nfs/dbraw/zinc/85/09/01/1188850901.db2.gz FWDRLVVXKJMWMP-NSHDSACASA-N 1 2 340.855 2.132 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001076532734 1188973188 /nfs/dbraw/zinc/97/31/88/1188973188.db2.gz PDXMHIDRZUPRSM-GJZGRUSLSA-N 1 2 346.475 2.059 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001077116076 1189341330 /nfs/dbraw/zinc/34/13/30/1189341330.db2.gz HLQXQEXSJOVOFM-LSDHHAIUSA-N 1 2 346.475 2.059 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001077140696 1189355011 /nfs/dbraw/zinc/35/50/11/1189355011.db2.gz ZWLSDOJQIGPFLL-BFHYXJOUSA-N 1 2 332.448 2.127 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001077140696 1189355015 /nfs/dbraw/zinc/35/50/15/1189355015.db2.gz ZWLSDOJQIGPFLL-BFHYXJOUSA-N 1 2 332.448 2.127 20 30 EEEDLO N#Cc1cnc2nc(Cl)ccc2c1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001168368729 1189456184 /nfs/dbraw/zinc/45/61/84/1189456184.db2.gz SNKJDKDONGTOFR-GFCCVEGCSA-N 1 2 343.818 2.430 20 30 EEEDLO N#Cc1cnc2nc(Cl)ccc2c1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168368729 1189456188 /nfs/dbraw/zinc/45/61/88/1189456188.db2.gz SNKJDKDONGTOFR-GFCCVEGCSA-N 1 2 343.818 2.430 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnccc1C(F)(F)F ZINC001017998588 1224194496 /nfs/dbraw/zinc/19/44/96/1224194496.db2.gz OXBLNRWKKVOJPP-BETUJISGSA-N 1 2 337.345 2.413 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnccc1C(F)(F)F ZINC001017998588 1224194501 /nfs/dbraw/zinc/19/45/01/1224194501.db2.gz OXBLNRWKKVOJPP-BETUJISGSA-N 1 2 337.345 2.413 20 30 EEEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc3ccccc3n1)C2 ZINC001273007061 1194313941 /nfs/dbraw/zinc/31/39/41/1194313941.db2.gz 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Cc1conc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033565435 1194718629 /nfs/dbraw/zinc/71/86/29/1194718629.db2.gz FFDSTSUGZONZGK-OAHLLOKOSA-N 1 2 342.374 2.340 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]2C)C1 ZINC001005266401 1195048398 /nfs/dbraw/zinc/04/83/98/1195048398.db2.gz KBIKKAAAYNYOAB-GOEBONIOSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]2C)C1 ZINC001005266401 1195048404 /nfs/dbraw/zinc/04/84/04/1195048404.db2.gz KBIKKAAAYNYOAB-GOEBONIOSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2C(=O)CCC)C1 ZINC001033686602 1195069876 /nfs/dbraw/zinc/06/98/76/1195069876.db2.gz WJKHMNJSVSVCCB-GJZGRUSLSA-N 1 2 341.883 2.063 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2C(=O)CCC)C1 ZINC001033686602 1195069880 /nfs/dbraw/zinc/06/98/80/1195069880.db2.gz WJKHMNJSVSVCCB-GJZGRUSLSA-N 1 2 341.883 2.063 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001033795188 1195284456 /nfs/dbraw/zinc/28/44/56/1195284456.db2.gz KVMGJRREVWHFHS-HIFRSBDPSA-N 1 2 341.415 2.480 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001033795188 1195284460 /nfs/dbraw/zinc/28/44/60/1195284460.db2.gz KVMGJRREVWHFHS-HIFRSBDPSA-N 1 2 341.415 2.480 20 30 EEEDLO CCN(C(=O)c1ncccc1O)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033805167 1195309817 /nfs/dbraw/zinc/30/98/17/1195309817.db2.gz XVADWEHOTBTBRU-SFHVURJKSA-N 1 2 349.434 2.375 20 30 EEEDLO CCN(C(=O)c1ncccc1O)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033805167 1195309822 /nfs/dbraw/zinc/30/98/22/1195309822.db2.gz XVADWEHOTBTBRU-SFHVURJKSA-N 1 2 349.434 2.375 20 30 EEEDLO CCN(C(=O)c1ncc[nH]1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033825771 1195317534 /nfs/dbraw/zinc/31/75/34/1195317534.db2.gz HXWKAIOYDGZNMU-HNNXBMFYSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1ncc[nH]1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033825771 1195317539 /nfs/dbraw/zinc/31/75/39/1195317539.db2.gz HXWKAIOYDGZNMU-HNNXBMFYSA-N 1 2 341.390 2.157 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001033833597 1195348649 /nfs/dbraw/zinc/34/86/49/1195348649.db2.gz QMNTZZMGZHVBQS-KSZLIROESA-N 1 2 347.459 2.387 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001033833597 1195348654 /nfs/dbraw/zinc/34/86/54/1195348654.db2.gz QMNTZZMGZHVBQS-KSZLIROESA-N 1 2 347.459 2.387 20 30 EEEDLO CCN(C(=O)c1cnco1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033911358 1195487430 /nfs/dbraw/zinc/48/74/30/1195487430.db2.gz VQTZZTXCMJPVOM-HNNXBMFYSA-N 1 2 342.374 2.422 20 30 EEEDLO CCN(C(=O)c1cnco1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033911358 1195487434 /nfs/dbraw/zinc/48/74/34/1195487434.db2.gz VQTZZTXCMJPVOM-HNNXBMFYSA-N 1 2 342.374 2.422 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2Cc3ccncc3C2)C1 ZINC001033958498 1195560308 /nfs/dbraw/zinc/56/03/08/1195560308.db2.gz PYUKLRXDMXIMJJ-DOTOQJQBSA-N 1 2 333.863 2.472 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2Cc3ccncc3C2)C1 ZINC001033958498 1195560312 /nfs/dbraw/zinc/56/03/12/1195560312.db2.gz PYUKLRXDMXIMJJ-DOTOQJQBSA-N 1 2 333.863 2.472 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@]1(C)C[N@H+](CCOCC(F)F)CCO1 ZINC001108114896 1195753947 /nfs/dbraw/zinc/75/39/47/1195753947.db2.gz IXABDIVNIVTWPC-QGZVFWFLSA-N 1 2 348.434 2.078 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@]1(C)C[N@@H+](CCOCC(F)F)CCO1 ZINC001108114896 1195753951 /nfs/dbraw/zinc/75/39/51/1195753951.db2.gz IXABDIVNIVTWPC-QGZVFWFLSA-N 1 2 348.434 2.078 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](Cc3ncccn3)C2)cc1 ZINC001034338615 1196110744 /nfs/dbraw/zinc/11/07/44/1196110744.db2.gz DZHSIEXIRJXURN-GOSISDBHSA-N 1 2 334.423 2.242 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3ncccn3)C2)cc1 ZINC001034338615 1196110747 /nfs/dbraw/zinc/11/07/47/1196110747.db2.gz DZHSIEXIRJXURN-GOSISDBHSA-N 1 2 334.423 2.242 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001034403245 1196195493 /nfs/dbraw/zinc/19/54/93/1196195493.db2.gz DFSLXQBNNBFYOL-BBWFWOEESA-N 1 2 347.459 2.353 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001034403245 1196195497 /nfs/dbraw/zinc/19/54/97/1196195497.db2.gz DFSLXQBNNBFYOL-BBWFWOEESA-N 1 2 347.459 2.353 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2nocc2C)C1 ZINC001034438034 1196233572 /nfs/dbraw/zinc/23/35/72/1196233572.db2.gz FHJJFRGMWOQPPT-RYRKJORJSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2nocc2C)C1 ZINC001034438034 1196233574 /nfs/dbraw/zinc/23/35/74/1196233574.db2.gz FHJJFRGMWOQPPT-RYRKJORJSA-N 1 2 347.459 2.435 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](Cc3coc(C)n3)C2)nc1 ZINC001034497891 1196288103 /nfs/dbraw/zinc/28/81/03/1196288103.db2.gz DOAVUYQNFKAHON-INIZCTEOSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](Cc3coc(C)n3)C2)nc1 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C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(CC)nnc1C ZINC000948936712 1209463306 /nfs/dbraw/zinc/46/33/06/1209463306.db2.gz YHWJBRRUFZJQEP-FQEVSTJZSA-N 1 2 348.450 2.310 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1[nH]c(C)nc1C ZINC000948961612 1209475857 /nfs/dbraw/zinc/47/58/57/1209475857.db2.gz LPIVEHOPOCZWLR-GOSISDBHSA-N 1 2 336.439 2.379 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1[nH]c(C)nc1C ZINC000948961612 1209475861 /nfs/dbraw/zinc/47/58/61/1209475861.db2.gz LPIVEHOPOCZWLR-GOSISDBHSA-N 1 2 336.439 2.379 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc2cccnn21 ZINC000948969990 1209480450 /nfs/dbraw/zinc/48/04/50/1209480450.db2.gz PEDCLEWEHWWIKK-HXUWFJFHSA-N 1 2 344.418 2.297 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc2cccnn21 ZINC000948969990 1209480451 /nfs/dbraw/zinc/48/04/51/1209480451.db2.gz PEDCLEWEHWWIKK-HXUWFJFHSA-N 1 2 344.418 2.297 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)c3cccs3)CC2)C1 ZINC000949469351 1209702474 /nfs/dbraw/zinc/70/24/74/1209702474.db2.gz XWIXZYFDHYBBKC-HNNXBMFYSA-N 1 2 332.469 2.178 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)c3cccs3)CC2)C1 ZINC000949469351 1209702476 /nfs/dbraw/zinc/70/24/76/1209702476.db2.gz XWIXZYFDHYBBKC-HNNXBMFYSA-N 1 2 332.469 2.178 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc4nonc4c3)CC2)cc1 ZINC000949596901 1209755027 /nfs/dbraw/zinc/75/50/27/1209755027.db2.gz CKNAWUHDAPIJAU-UHFFFAOYSA-N 1 2 346.390 2.162 20 30 EEEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)C3(CF)CCC3)CC2)cc1 ZINC000950587136 1210291119 /nfs/dbraw/zinc/29/11/19/1210291119.db2.gz NBJJEPVTXZJYGZ-UHFFFAOYSA-N 1 2 345.418 2.373 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC000950953771 1210523658 /nfs/dbraw/zinc/52/36/58/1210523658.db2.gz JQECCRCCECZISM-HUUCEWRRSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC000950953771 1210523661 /nfs/dbraw/zinc/52/36/61/1210523661.db2.gz JQECCRCCECZISM-HUUCEWRRSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000951532019 1210867474 /nfs/dbraw/zinc/86/74/74/1210867474.db2.gz RTLIVKSXEQBHNH-RRFJBIMHSA-N 1 2 344.459 2.223 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000951532019 1210867476 /nfs/dbraw/zinc/86/74/76/1210867476.db2.gz RTLIVKSXEQBHNH-RRFJBIMHSA-N 1 2 344.459 2.223 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC(F)F ZINC001114579397 1212404252 /nfs/dbraw/zinc/40/42/52/1212404252.db2.gz UFCHOLITEVEBOK-HALDLXJZSA-N 1 2 337.345 2.289 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC(F)F ZINC001114579397 1212404256 /nfs/dbraw/zinc/40/42/56/1212404256.db2.gz UFCHOLITEVEBOK-HALDLXJZSA-N 1 2 337.345 2.289 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(C)n3)C[C@H]21 ZINC001114627308 1213699873 /nfs/dbraw/zinc/69/98/73/1213699873.db2.gz UHIMBAZHMJWFDX-LHHMISFZSA-N 1 2 349.500 2.227 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]21 ZINC001114627308 1213699876 /nfs/dbraw/zinc/69/98/76/1213699876.db2.gz UHIMBAZHMJWFDX-LHHMISFZSA-N 1 2 349.500 2.227 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001015625490 1225479485 /nfs/dbraw/zinc/47/94/85/1225479485.db2.gz AKRGPNDLQJBGDN-GOSISDBHSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001015625490 1225479488 /nfs/dbraw/zinc/47/94/88/1225479488.db2.gz AKRGPNDLQJBGDN-GOSISDBHSA-N 1 2 345.406 2.439 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C(C)=C/C)C2)CC1 ZINC000956606708 1214128389 /nfs/dbraw/zinc/12/83/89/1214128389.db2.gz UPOIHCHFCKJALY-JNLMHAIJSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H](C)C(C)C)CC2)C1 ZINC000956618845 1214135025 /nfs/dbraw/zinc/13/50/25/1214135025.db2.gz UAKRBHNSZFFSEA-IRXDYDNUSA-N 1 2 349.519 2.236 20 30 EEEDLO CCc1nocc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015666936 1225528598 /nfs/dbraw/zinc/52/85/98/1225528598.db2.gz DGJCUAADQJAMNT-MRXNPFEDSA-N 1 2 341.386 2.232 20 30 EEEDLO CCc1nocc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015666936 1225528600 /nfs/dbraw/zinc/52/86/00/1225528600.db2.gz DGJCUAADQJAMNT-MRXNPFEDSA-N 1 2 341.386 2.232 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(N3CCCC3)nc2)C1 ZINC000956960478 1214705561 /nfs/dbraw/zinc/70/55/61/1214705561.db2.gz DLNISDSMVAQHAX-UHFFFAOYSA-N 1 2 328.460 2.404 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3nc(C4CC4)no3)C[C@H]21 ZINC001114692449 1214989864 /nfs/dbraw/zinc/98/98/64/1214989864.db2.gz HKWZVDZSSPEWPZ-ZZVYKPCYSA-N 1 2 330.432 2.267 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3nc(C4CC4)no3)C[C@H]21 ZINC001114692449 1214989870 /nfs/dbraw/zinc/98/98/70/1214989870.db2.gz HKWZVDZSSPEWPZ-ZZVYKPCYSA-N 1 2 330.432 2.267 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[NH+](Cc2ncccc2C)CC1 ZINC000957467257 1215144869 /nfs/dbraw/zinc/14/48/69/1215144869.db2.gz GIQDADRKKZVIRS-UHFFFAOYSA-N 1 2 333.435 2.258 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[NH+](Cc2cccnc2C)CC1 ZINC000957467534 1215145300 /nfs/dbraw/zinc/14/53/00/1215145300.db2.gz SMSKMAINBWPMOM-UHFFFAOYSA-N 1 2 333.435 2.258 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001015722090 1225594452 /nfs/dbraw/zinc/59/44/52/1225594452.db2.gz SKELSTSWAHSEJP-AHIWAGSCSA-N 1 2 336.382 2.246 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001015722090 1225594456 /nfs/dbraw/zinc/59/44/56/1225594456.db2.gz SKELSTSWAHSEJP-AHIWAGSCSA-N 1 2 336.382 2.246 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)[nH]1 ZINC001015722180 1225595245 /nfs/dbraw/zinc/59/52/45/1225595245.db2.gz VJGQYXKZRXPILZ-HNNXBMFYSA-N 1 2 341.390 2.042 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)[nH]1 ZINC001015722180 1225595248 /nfs/dbraw/zinc/59/52/48/1225595248.db2.gz VJGQYXKZRXPILZ-HNNXBMFYSA-N 1 2 341.390 2.042 20 30 EEEDLO Cn1cc(CN2C[C@@H]3CC[N@H+](Cc4cncc(F)c4)[C@@H]3C2)cc1C#N ZINC001276336210 1215761894 /nfs/dbraw/zinc/76/18/94/1215761894.db2.gz GFRALSPFXFMPFX-QFBILLFUSA-N 1 2 339.418 2.137 20 30 EEEDLO Cn1cc(CN2C[C@@H]3CC[N@@H+](Cc4cncc(F)c4)[C@@H]3C2)cc1C#N ZINC001276336210 1215761895 /nfs/dbraw/zinc/76/18/95/1215761895.db2.gz GFRALSPFXFMPFX-QFBILLFUSA-N 1 2 339.418 2.137 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2C[C@@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001012922623 1225628064 /nfs/dbraw/zinc/62/80/64/1225628064.db2.gz KBODEBYKCVEQSS-PBHICJAKSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2C[C@@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001012922623 1225628068 /nfs/dbraw/zinc/62/80/68/1225628068.db2.gz KBODEBYKCVEQSS-PBHICJAKSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncc(C)o1 ZINC000960649592 1216766244 /nfs/dbraw/zinc/76/62/44/1216766244.db2.gz YLEKCIUGCPSHRF-BBWFWOEESA-N 1 2 347.459 2.387 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncc(C)o1 ZINC000960649592 1216766250 /nfs/dbraw/zinc/76/62/50/1216766250.db2.gz YLEKCIUGCPSHRF-BBWFWOEESA-N 1 2 347.459 2.387 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4csc(C)n4)C[C@H]32)cc1 ZINC000961427293 1217186244 /nfs/dbraw/zinc/18/62/44/1217186244.db2.gz AYQKFQNBGJPKPY-PIIMJCKOSA-N 1 2 337.448 2.293 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4csc(C)n4)C[C@H]32)cc1 ZINC000961427293 1217186246 /nfs/dbraw/zinc/18/62/46/1217186246.db2.gz AYQKFQNBGJPKPY-PIIMJCKOSA-N 1 2 337.448 2.293 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@@H]12 ZINC000962021906 1217452482 /nfs/dbraw/zinc/45/24/82/1217452482.db2.gz GLIXXDHWGNGZSH-FRDTZWFPSA-N 1 2 345.270 2.333 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@@H]12 ZINC000962021906 1217452484 /nfs/dbraw/zinc/45/24/84/1217452484.db2.gz GLIXXDHWGNGZSH-FRDTZWFPSA-N 1 2 345.270 2.333 20 30 EEEDLO C=CCCC(=O)N[C@H](C)CCCNc1ncnc2c1C[N@H+](C)CC2 ZINC001114881953 1218102246 /nfs/dbraw/zinc/10/22/46/1218102246.db2.gz WTPULAMTPUJJDQ-CQSZACIVSA-N 1 2 331.464 2.128 20 30 EEEDLO C=CCCC(=O)N[C@H](C)CCCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001114881953 1218102248 /nfs/dbraw/zinc/10/22/48/1218102248.db2.gz WTPULAMTPUJJDQ-CQSZACIVSA-N 1 2 331.464 2.128 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)c(C)o1 ZINC001015898397 1225802002 /nfs/dbraw/zinc/80/20/02/1225802002.db2.gz NSOBCMVRZWLIQV-OAHLLOKOSA-N 1 2 342.374 2.307 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)c(C)o1 ZINC001015898397 1225802004 /nfs/dbraw/zinc/80/20/04/1225802004.db2.gz NSOBCMVRZWLIQV-OAHLLOKOSA-N 1 2 342.374 2.307 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cnsn1 ZINC000965395323 1219053026 /nfs/dbraw/zinc/05/30/26/1219053026.db2.gz OBHKCRUOAFRAQQ-MLGOLLRUSA-N 1 2 341.440 2.050 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cnsn1 ZINC000965395323 1219053028 /nfs/dbraw/zinc/05/30/28/1219053028.db2.gz OBHKCRUOAFRAQQ-MLGOLLRUSA-N 1 2 341.440 2.050 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000965917595 1219356191 /nfs/dbraw/zinc/35/61/91/1219356191.db2.gz XQYBXGNPSPECLK-KUHUBIRLSA-N 1 2 347.422 2.398 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000965917595 1219356193 /nfs/dbraw/zinc/35/61/93/1219356193.db2.gz XQYBXGNPSPECLK-KUHUBIRLSA-N 1 2 347.422 2.398 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)s1 ZINC000965917136 1219357015 /nfs/dbraw/zinc/35/70/15/1219357015.db2.gz QEXGBKUBZKOIER-XHDPSFHLSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)s1 ZINC000965917136 1219357019 /nfs/dbraw/zinc/35/70/19/1219357019.db2.gz QEXGBKUBZKOIER-XHDPSFHLSA-N 1 2 343.456 2.292 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC000966896036 1220103574 /nfs/dbraw/zinc/10/35/74/1220103574.db2.gz LKCGTZRSENLCKM-YGRLFVJLSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC000966896036 1220103576 /nfs/dbraw/zinc/10/35/76/1220103576.db2.gz LKCGTZRSENLCKM-YGRLFVJLSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnn(CCF)c2)C1 ZINC000967064567 1220241749 /nfs/dbraw/zinc/24/17/49/1220241749.db2.gz UUWDODBVEHMVDH-RISCZKNCSA-N 1 2 328.819 2.045 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnn(CCF)c2)C1 ZINC000967064567 1220241755 /nfs/dbraw/zinc/24/17/55/1220241755.db2.gz UUWDODBVEHMVDH-RISCZKNCSA-N 1 2 328.819 2.045 20 30 EEEDLO Cc1nnccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1C ZINC000967264466 1220361904 /nfs/dbraw/zinc/36/19/04/1220361904.db2.gz LMYQUZARIHYVDN-IFXJQAMLSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1nnccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1C ZINC000967264466 1220361907 /nfs/dbraw/zinc/36/19/07/1220361907.db2.gz LMYQUZARIHYVDN-IFXJQAMLSA-N 1 2 349.438 2.297 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccn(C)n3)CC[C@H]2C)cc1 ZINC000967675463 1220728248 /nfs/dbraw/zinc/72/82/48/1220728248.db2.gz GIMNCVDVMISDLE-BEFAXECRSA-N 1 2 336.439 2.042 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccn(C)n3)CC[C@H]2C)cc1 ZINC000967675463 1220728250 /nfs/dbraw/zinc/72/82/50/1220728250.db2.gz GIMNCVDVMISDLE-BEFAXECRSA-N 1 2 336.439 2.042 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc3n2CCCC3)C1 ZINC000967997512 1220975101 /nfs/dbraw/zinc/97/51/01/1220975101.db2.gz VGWPJOCPPROMQM-JSGCOSHPSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc3n2CCCC3)C1 ZINC000967997512 1220975105 /nfs/dbraw/zinc/97/51/05/1220975105.db2.gz VGWPJOCPPROMQM-JSGCOSHPSA-N 1 2 336.867 2.412 20 30 EEEDLO Cc1nc(NCCC[C@H](C)NC(=O)CCc2[nH]cc[nH+]2)ccc1C#N ZINC001114916930 1221348024 /nfs/dbraw/zinc/34/80/24/1221348024.db2.gz RSEFYZJPSNPLIM-ZDUSSCGKSA-N 1 2 340.431 2.314 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnc(OCC)cn2)C1 ZINC000968710742 1221508838 /nfs/dbraw/zinc/50/88/38/1221508838.db2.gz SNPLVTZXFONXFI-RISCZKNCSA-N 1 2 338.839 2.068 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnc(OCC)cn2)C1 ZINC000968710742 1221508841 /nfs/dbraw/zinc/50/88/41/1221508841.db2.gz SNPLVTZXFONXFI-RISCZKNCSA-N 1 2 338.839 2.068 20 30 EEEDLO N#CCN1CCCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000968965587 1221704795 /nfs/dbraw/zinc/70/47/95/1221704795.db2.gz SNPABCRXASVVMQ-SFHVURJKSA-N 1 2 337.427 2.370 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc[nH]3)C2)cc1F ZINC001006742455 1221918773 /nfs/dbraw/zinc/91/87/73/1221918773.db2.gz NLFCNSMIBZNDNZ-HNNXBMFYSA-N 1 2 326.375 2.420 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccc[nH]3)C2)cc1F ZINC001006742455 1221918776 /nfs/dbraw/zinc/91/87/76/1221918776.db2.gz NLFCNSMIBZNDNZ-HNNXBMFYSA-N 1 2 326.375 2.420 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC([C@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001006834723 1221967817 /nfs/dbraw/zinc/96/78/17/1221967817.db2.gz VDZCZDSUDNVNQG-JSGCOSHPSA-N 1 2 344.459 2.005 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001016115297 1226098983 /nfs/dbraw/zinc/09/89/83/1226098983.db2.gz WTUCIQOETQYNCX-QGZVFWFLSA-N 1 2 339.464 2.366 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001016115297 1226098990 /nfs/dbraw/zinc/09/89/90/1226098990.db2.gz WTUCIQOETQYNCX-QGZVFWFLSA-N 1 2 339.464 2.366 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC001007517494 1222271683 /nfs/dbraw/zinc/27/16/83/1222271683.db2.gz KDPUARNBZJSDGV-HNNXBMFYSA-N 1 2 347.846 2.057 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC001007517494 1222271686 /nfs/dbraw/zinc/27/16/86/1222271686.db2.gz KDPUARNBZJSDGV-HNNXBMFYSA-N 1 2 347.846 2.057 20 30 EEEDLO COc1ccc(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)cn1 ZINC001007843146 1222454579 /nfs/dbraw/zinc/45/45/79/1222454579.db2.gz FALNZJZKMSLASJ-IBGZPJMESA-N 1 2 349.434 2.336 20 30 EEEDLO COc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)cn1 ZINC001007843146 1222454581 /nfs/dbraw/zinc/45/45/81/1222454581.db2.gz FALNZJZKMSLASJ-IBGZPJMESA-N 1 2 349.434 2.336 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001008116498 1222631115 /nfs/dbraw/zinc/63/11/15/1222631115.db2.gz PMAJLFSKXSXENO-DZGCQCFKSA-N 1 2 347.846 2.446 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001008116498 1222631117 /nfs/dbraw/zinc/63/11/17/1222631117.db2.gz PMAJLFSKXSXENO-DZGCQCFKSA-N 1 2 347.846 2.446 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001008561404 1222927866 /nfs/dbraw/zinc/92/78/66/1222927866.db2.gz YCXLXLSJSVZDFH-XHSDSOJGSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001008561404 1222927868 /nfs/dbraw/zinc/92/78/68/1222927868.db2.gz YCXLXLSJSVZDFH-XHSDSOJGSA-N 1 2 349.862 2.407 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)Cc2cscn2)C1 ZINC001008768998 1223030186 /nfs/dbraw/zinc/03/01/86/1223030186.db2.gz YIYHOROOHQETGX-INIZCTEOSA-N 1 2 340.452 2.338 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)Cc2cscn2)C1 ZINC001008768998 1223030189 /nfs/dbraw/zinc/03/01/89/1223030189.db2.gz YIYHOROOHQETGX-INIZCTEOSA-N 1 2 340.452 2.338 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC001008839684 1223053988 /nfs/dbraw/zinc/05/39/88/1223053988.db2.gz KELSGBINOLOYIQ-SQNIBIBYSA-N 1 2 347.434 2.283 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC001008839684 1223053991 /nfs/dbraw/zinc/05/39/91/1223053991.db2.gz KELSGBINOLOYIQ-SQNIBIBYSA-N 1 2 347.434 2.283 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3conc3CC)C2)cn1 ZINC001009268889 1223194460 /nfs/dbraw/zinc/19/44/60/1223194460.db2.gz MKUAVNXICYATHK-QGZVFWFLSA-N 1 2 338.411 2.008 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3conc3CC)C2)cn1 ZINC001009268889 1223194462 /nfs/dbraw/zinc/19/44/62/1223194462.db2.gz MKUAVNXICYATHK-QGZVFWFLSA-N 1 2 338.411 2.008 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)no1 ZINC001010029804 1223513188 /nfs/dbraw/zinc/51/31/88/1223513188.db2.gz KVPGUKUAEBOHAP-INIZCTEOSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)no1 ZINC001010029804 1223513190 /nfs/dbraw/zinc/51/31/90/1223513190.db2.gz KVPGUKUAEBOHAP-INIZCTEOSA-N 1 2 343.814 2.492 20 30 EEEDLO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)n1cccc1 ZINC001010567994 1223788118 /nfs/dbraw/zinc/78/81/18/1223788118.db2.gz RQASMGYETLMWLP-LPHOPBHVSA-N 1 2 339.414 2.430 20 30 EEEDLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)n1cccc1 ZINC001010567994 1223788120 /nfs/dbraw/zinc/78/81/20/1223788120.db2.gz RQASMGYETLMWLP-LPHOPBHVSA-N 1 2 339.414 2.430 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001016278717 1226291865 /nfs/dbraw/zinc/29/18/65/1226291865.db2.gz UPCRPLLLHBKAPL-GFCCVEGCSA-N 1 2 331.247 2.096 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001016278717 1226291871 /nfs/dbraw/zinc/29/18/71/1226291871.db2.gz UPCRPLLLHBKAPL-GFCCVEGCSA-N 1 2 331.247 2.096 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001016423770 1226463409 /nfs/dbraw/zinc/46/34/09/1226463409.db2.gz GSDUQIZATTYFBM-INIZCTEOSA-N 1 2 342.830 2.227 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001016423770 1226463412 /nfs/dbraw/zinc/46/34/12/1226463412.db2.gz GSDUQIZATTYFBM-INIZCTEOSA-N 1 2 342.830 2.227 20 30 EEEDLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)c(C2CC2)n1 ZINC001014583516 1226807674 /nfs/dbraw/zinc/80/76/74/1226807674.db2.gz UKRQLGZZUACZMR-SFHVURJKSA-N 1 2 348.450 2.153 20 30 EEEDLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c(C2CC2)n1 ZINC001014583516 1226807679 /nfs/dbraw/zinc/80/76/79/1226807679.db2.gz UKRQLGZZUACZMR-SFHVURJKSA-N 1 2 348.450 2.153 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cccnc2)cc1 ZINC001017304050 1227317915 /nfs/dbraw/zinc/31/79/15/1227317915.db2.gz RIWOVETWBATKEQ-KDURUIRLSA-N 1 2 332.407 2.442 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cccnc2)cc1 ZINC001017304050 1227317919 /nfs/dbraw/zinc/31/79/19/1227317919.db2.gz RIWOVETWBATKEQ-KDURUIRLSA-N 1 2 332.407 2.442 20 30 EEEDLO Cc1cc(C)c(C(=O)NCC2=CCN(C(=O)[C@@H](C)C#N)CC2)c(C)[nH+]1 ZINC001017624424 1227580817 /nfs/dbraw/zinc/58/08/17/1227580817.db2.gz LIAMHVAZMWXFIN-ZDUSSCGKSA-N 1 2 340.427 2.055 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(-c2ccccn2)n1 ZINC001017704417 1227657361 /nfs/dbraw/zinc/65/73/61/1227657361.db2.gz WFZJQNJSFOIVCB-GASCZTMLSA-N 1 2 336.395 2.049 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(-c2ccccn2)n1 ZINC001017704417 1227657365 /nfs/dbraw/zinc/65/73/65/1227657365.db2.gz WFZJQNJSFOIVCB-GASCZTMLSA-N 1 2 336.395 2.049 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(CC)no2)C1 ZINC001018969202 1228590047 /nfs/dbraw/zinc/59/00/47/1228590047.db2.gz RTHYASNACVJODN-KGLIPLIRSA-N 1 2 343.431 2.185 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001019332373 1228999439 /nfs/dbraw/zinc/99/94/39/1228999439.db2.gz OKQRMFVKEDFWTR-BONVTDFDSA-N 1 2 328.363 2.300 20 30 EEEDLO CCc1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)c(C)nn1 ZINC001038555232 1229913050 /nfs/dbraw/zinc/91/30/50/1229913050.db2.gz KRQIPJIJQMNLJO-SFHVURJKSA-N 1 2 349.438 2.223 20 30 EEEDLO CCc1cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)c(C)nn1 ZINC001038555232 1229913056 /nfs/dbraw/zinc/91/30/56/1229913056.db2.gz KRQIPJIJQMNLJO-SFHVURJKSA-N 1 2 349.438 2.223 20 30 EEEDLO CCc1c(C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)ccn1C ZINC001038699570 1229983842 /nfs/dbraw/zinc/98/38/42/1229983842.db2.gz NOGAEFKFDJRGPJ-SFHVURJKSA-N 1 2 335.451 2.443 20 30 EEEDLO CCc1c(C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)ccn1C ZINC001038699570 1229983844 /nfs/dbraw/zinc/98/38/44/1229983844.db2.gz NOGAEFKFDJRGPJ-SFHVURJKSA-N 1 2 335.451 2.443 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cccc3c2OCC3)c1 ZINC001038735962 1230008396 /nfs/dbraw/zinc/00/83/96/1230008396.db2.gz TZGPOFRQHMUATL-GOSISDBHSA-N 1 2 347.418 2.497 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cccc3c2OCC3)c1 ZINC001038735962 1230008400 /nfs/dbraw/zinc/00/84/00/1230008400.db2.gz TZGPOFRQHMUATL-GOSISDBHSA-N 1 2 347.418 2.497 20 30 EEEDLO COc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)o1 ZINC001038838673 1230100017 /nfs/dbraw/zinc/10/00/17/1230100017.db2.gz YCQWEBJKYLSKOZ-OAHLLOKOSA-N 1 2 325.368 2.164 20 30 EEEDLO COc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)o1 ZINC001038838673 1230100023 /nfs/dbraw/zinc/10/00/23/1230100023.db2.gz YCQWEBJKYLSKOZ-OAHLLOKOSA-N 1 2 325.368 2.164 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2c[nH]nc2C2CC2)cc1 ZINC001038865923 1230119983 /nfs/dbraw/zinc/11/99/83/1230119983.db2.gz LLBVTXQEBWLXET-MRXNPFEDSA-N 1 2 335.411 2.163 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2c[nH]nc2C2CC2)cc1 ZINC001038865923 1230119986 /nfs/dbraw/zinc/11/99/86/1230119986.db2.gz LLBVTXQEBWLXET-MRXNPFEDSA-N 1 2 335.411 2.163 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@@H]1[C@H]1CC[N@H+](Cc2csnn2)C1 ZINC001039200175 1230427183 /nfs/dbraw/zinc/42/71/83/1230427183.db2.gz HRDMYTDFXKTZPH-DOTOQJQBSA-N 1 2 344.484 2.155 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@@H]1[C@H]1CC[N@@H+](Cc2csnn2)C1 ZINC001039200175 1230427184 /nfs/dbraw/zinc/42/71/84/1230427184.db2.gz HRDMYTDFXKTZPH-DOTOQJQBSA-N 1 2 344.484 2.155 20 30 EEEDLO N#Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccn2)c[nH]1 ZINC001039552158 1230690995 /nfs/dbraw/zinc/69/09/95/1230690995.db2.gz SJAIRIBTZKHRNP-HDICACEKSA-N 1 2 335.411 2.160 20 30 EEEDLO N#Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccn2)c[nH]1 ZINC001039552158 1230690998 /nfs/dbraw/zinc/69/09/98/1230690998.db2.gz SJAIRIBTZKHRNP-HDICACEKSA-N 1 2 335.411 2.160 20 30 EEEDLO Cc1nc(N[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)c2c([nH+]1)CCCC2 ZINC001040121835 1231036897 /nfs/dbraw/zinc/03/68/97/1231036897.db2.gz JDWRSUZYKUWDNB-GUYCJALGSA-N 1 2 338.455 2.479 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](Cc4nccs4)[C@@H]3C2)[nH]1 ZINC001042015106 1231832298 /nfs/dbraw/zinc/83/22/98/1231832298.db2.gz CJNVPTXYMSLGER-IUODEOHRSA-N 1 2 341.440 2.079 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nccs4)[C@@H]3C2)[nH]1 ZINC001042015106 1231832301 /nfs/dbraw/zinc/83/23/01/1231832301.db2.gz CJNVPTXYMSLGER-IUODEOHRSA-N 1 2 341.440 2.079 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3nccn3C)[C@H]2C1 ZINC001042181872 1231941131 /nfs/dbraw/zinc/94/11/31/1231941131.db2.gz BBWFXHONGRIJSP-HOTGVXAUSA-N 1 2 330.476 2.445 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3nccn3C)[C@H]2C1 ZINC001042181872 1231941132 /nfs/dbraw/zinc/94/11/32/1231941132.db2.gz BBWFXHONGRIJSP-HOTGVXAUSA-N 1 2 330.476 2.445 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3coc(COC)n3)C[C@H]21 ZINC001042294438 1232010284 /nfs/dbraw/zinc/01/02/84/1232010284.db2.gz NMYGJPPBIXLGOI-GXTWGEPZSA-N 1 2 339.823 2.110 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3coc(COC)n3)C[C@H]21 ZINC001042294438 1232010286 /nfs/dbraw/zinc/01/02/86/1232010286.db2.gz NMYGJPPBIXLGOI-GXTWGEPZSA-N 1 2 339.823 2.110 20 30 EEEDLO COc1cccc(C[NH+]2CC(N(C)C(=O)c3ccc(C#N)[nH]3)C2)c1C ZINC001042628603 1232124989 /nfs/dbraw/zinc/12/49/89/1232124989.db2.gz LSSQFFCMKLCZPT-UHFFFAOYSA-N 1 2 338.411 2.160 20 30 EEEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001042638803 1232126832 /nfs/dbraw/zinc/12/68/32/1232126832.db2.gz UGAVHVRPSCLRLI-UHFFFAOYSA-N 1 2 333.395 2.324 20 30 EEEDLO CN(C(=O)Cc1ccccc1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001043116625 1232271679 /nfs/dbraw/zinc/27/16/79/1232271679.db2.gz VMWBBRGKKBYOOT-UHFFFAOYSA-N 1 2 349.434 2.474 20 30 EEEDLO CCN(CCCNC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccc(C#N)cn1 ZINC001095973416 1232844738 /nfs/dbraw/zinc/84/47/38/1232844738.db2.gz XLFWOZBXAUXFLZ-OAHLLOKOSA-N 1 2 340.431 2.134 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2n[nH]cc2F)CC1 ZINC001045545182 1233805983 /nfs/dbraw/zinc/80/59/83/1233805983.db2.gz SSDFPMUELLZXAS-UHFFFAOYSA-N 1 2 345.216 2.042 20 30 EEEDLO C[C@]1(NC(=O)c2cocn2)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046195398 1234540758 /nfs/dbraw/zinc/54/07/58/1234540758.db2.gz WKEDSKIFOAHQBY-KRWDZBQOSA-N 1 2 328.347 2.080 20 30 EEEDLO C[C@]1(NC(=O)c2cocn2)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046195398 1234540760 /nfs/dbraw/zinc/54/07/60/1234540760.db2.gz WKEDSKIFOAHQBY-KRWDZBQOSA-N 1 2 328.347 2.080 20 30 EEEDLO CCc1nc(C[N@@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC001046221070 1234568117 /nfs/dbraw/zinc/56/81/17/1234568117.db2.gz PFIUFJHFMYOETA-KRWDZBQOSA-N 1 2 343.456 2.300 20 30 EEEDLO CCc1nc(C[N@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC001046221070 1234568121 /nfs/dbraw/zinc/56/81/21/1234568121.db2.gz PFIUFJHFMYOETA-KRWDZBQOSA-N 1 2 343.456 2.300 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001046523906 1234903990 /nfs/dbraw/zinc/90/39/90/1234903990.db2.gz JAKRJRIWJFLEQP-KRWDZBQOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001046523906 1234903994 /nfs/dbraw/zinc/90/39/94/1234903994.db2.gz JAKRJRIWJFLEQP-KRWDZBQOSA-N 1 2 345.834 2.214 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H](C)c3ncccn3)C2)cc1 ZINC001046533503 1234914459 /nfs/dbraw/zinc/91/44/59/1234914459.db2.gz OLWZRNXLJUQLSF-YWZLYKJASA-N 1 2 334.423 2.413 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)c3ncccn3)C2)cc1 ZINC001046533503 1234914462 /nfs/dbraw/zinc/91/44/62/1234914462.db2.gz OLWZRNXLJUQLSF-YWZLYKJASA-N 1 2 334.423 2.413 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@@H+](Cc3nc(C)oc3C)C2)c1 ZINC001046604365 1234987394 /nfs/dbraw/zinc/98/73/94/1234987394.db2.gz IQOVHYIEQUAGPF-LJQANCHMSA-N 1 2 338.411 2.062 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@H+](Cc3nc(C)oc3C)C2)c1 ZINC001046604365 1234987396 /nfs/dbraw/zinc/98/73/96/1234987396.db2.gz IQOVHYIEQUAGPF-LJQANCHMSA-N 1 2 338.411 2.062 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001046640369 1235022742 /nfs/dbraw/zinc/02/27/42/1235022742.db2.gz GMBQYFNMDTWOIK-CXTNEJHOSA-N 1 2 343.265 2.043 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001046640369 1235022745 /nfs/dbraw/zinc/02/27/45/1235022745.db2.gz GMBQYFNMDTWOIK-CXTNEJHOSA-N 1 2 343.265 2.043 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)CCCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001067715086 1249423564 /nfs/dbraw/zinc/42/35/64/1249423564.db2.gz LXPHMPJXSIPCQM-UHFFFAOYSA-N 1 2 334.464 2.182 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001046829399 1235225898 /nfs/dbraw/zinc/22/58/98/1235225898.db2.gz VNOGLTQMSJGRKB-KRWDZBQOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001046829399 1235225899 /nfs/dbraw/zinc/22/58/99/1235225899.db2.gz VNOGLTQMSJGRKB-KRWDZBQOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001054946000 1249444551 /nfs/dbraw/zinc/44/45/51/1249444551.db2.gz LCUAXFGMGZSADN-SHTZXODSSA-N 1 2 346.475 2.203 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096186583 1236034753 /nfs/dbraw/zinc/03/47/53/1236034753.db2.gz ZEMHZOMXCKRVHL-HOCLYGCPSA-N 1 2 332.448 2.078 20 30 EEEDLO Cc1nc(NCc2cccc(C(=O)OCCO[C@H](C)C#N)c2)cc[nH+]1 ZINC000801856604 1236298988 /nfs/dbraw/zinc/29/89/88/1236298988.db2.gz ZMACEQPZGMKBDW-CYBMUJFWSA-N 1 2 340.383 2.483 20 30 EEEDLO CC(C)(C)CCC(=O)NCC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC001096289577 1237141170 /nfs/dbraw/zinc/14/11/70/1237141170.db2.gz LJPJYRBQIXZHCL-UHFFFAOYSA-N 1 2 343.475 2.018 20 30 EEEDLO CC[C@@H](C)CCC(=O)NCC[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC001096287132 1237143071 /nfs/dbraw/zinc/14/30/71/1237143071.db2.gz QTVYCZQGQMKPAX-MRXNPFEDSA-N 1 2 343.475 2.018 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001096293473 1237191582 /nfs/dbraw/zinc/19/15/82/1237191582.db2.gz LIYKQLDSZMDVCB-UHFFFAOYSA-N 1 2 346.431 2.045 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001056404794 1239327098 /nfs/dbraw/zinc/32/70/98/1239327098.db2.gz DUCKEXINRZXKPK-IXDOHACOSA-N 1 2 344.459 2.392 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056424094 1239358554 /nfs/dbraw/zinc/35/85/54/1239358554.db2.gz WONVZQUDYDPLMX-HUUCEWRRSA-N 1 2 344.459 2.146 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056527191 1239430585 /nfs/dbraw/zinc/43/05/85/1239430585.db2.gz ODAGKZDFRKLHOX-HUUCEWRRSA-N 1 2 344.459 2.146 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056575027 1239443469 /nfs/dbraw/zinc/44/34/69/1239443469.db2.gz WCWIDJTUQVJGNE-UAGQMJEPSA-N 1 2 344.459 2.146 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]21 ZINC001056624669 1239451218 /nfs/dbraw/zinc/45/12/18/1239451218.db2.gz AJPNRFWEUKLYHD-IXDOHACOSA-N 1 2 344.459 2.250 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ccc(N(C)C)nc2)CC1 ZINC001000888355 1241133878 /nfs/dbraw/zinc/13/38/78/1241133878.db2.gz YVFWLJAPQBQTSL-UHFFFAOYSA-N 1 2 334.851 2.262 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ccc(N(C)C)nc2)CC1 ZINC001000888355 1241133883 /nfs/dbraw/zinc/13/38/83/1241133883.db2.gz YVFWLJAPQBQTSL-UHFFFAOYSA-N 1 2 334.851 2.262 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ccc3nccn3c2)CC1 ZINC001001353430 1242117580 /nfs/dbraw/zinc/11/75/80/1242117580.db2.gz INGYZRNZHDKAGU-UHFFFAOYSA-N 1 2 330.819 2.449 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ccc3nccn3c2)CC1 ZINC001001353430 1242117582 /nfs/dbraw/zinc/11/75/82/1242117582.db2.gz INGYZRNZHDKAGU-UHFFFAOYSA-N 1 2 330.819 2.449 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCCN(c3nc(C)[nH+]c(C)c3C)CC2)nc1 ZINC001057157734 1242140575 /nfs/dbraw/zinc/14/05/75/1242140575.db2.gz LCAQQSOFOWPAGN-UHFFFAOYSA-N 1 2 349.438 2.131 20 30 EEEDLO N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001049821241 1242308515 /nfs/dbraw/zinc/30/85/15/1242308515.db2.gz UXRPITJCVAFFJZ-MSOLQXFVSA-N 1 2 335.411 2.075 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2c(C)nn3cccnc23)CC1 ZINC001001459098 1242309199 /nfs/dbraw/zinc/30/91/99/1242309199.db2.gz ROZFTQRKLHSTQL-UHFFFAOYSA-N 1 2 345.834 2.152 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2c(C)nn3cccnc23)CC1 ZINC001001459098 1242309207 /nfs/dbraw/zinc/30/92/07/1242309207.db2.gz ROZFTQRKLHSTQL-UHFFFAOYSA-N 1 2 345.834 2.152 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC001073450450 1242497025 /nfs/dbraw/zinc/49/70/25/1242497025.db2.gz YFLIDVVUJYICLP-OAHLLOKOSA-N 1 2 346.475 2.229 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001073492427 1242541441 /nfs/dbraw/zinc/54/14/41/1242541441.db2.gz DKNMMBPAIVHOEO-DNVCBOLYSA-N 1 2 346.475 2.298 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCCN(c3nc(C)[nH+]c(C)c3C)CC2)c1 ZINC001057232503 1242557815 /nfs/dbraw/zinc/55/78/15/1242557815.db2.gz VQFJYCSRAZPBNN-UHFFFAOYSA-N 1 2 349.438 2.131 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001067925128 1249987084 /nfs/dbraw/zinc/98/70/84/1249987084.db2.gz MDRRMYRCTWROKL-HOTGVXAUSA-N 1 2 348.491 2.118 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]cc2C2CC2)C1 ZINC001073838413 1242745246 /nfs/dbraw/zinc/74/52/46/1242745246.db2.gz AMWZDMXEKCXWPS-AWEZNQCLSA-N 1 2 337.851 2.465 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]cc2C2CC2)C1 ZINC001073838413 1242745253 /nfs/dbraw/zinc/74/52/53/1242745253.db2.gz AMWZDMXEKCXWPS-AWEZNQCLSA-N 1 2 337.851 2.465 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001073966862 1242826026 /nfs/dbraw/zinc/82/60/26/1242826026.db2.gz ZOZDMDNTAZRGKG-ZFWWWQNUSA-N 1 2 346.475 2.216 20 30 EEEDLO N#Cc1ccc(N[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C2CC2)nc1 ZINC001096755836 1243238825 /nfs/dbraw/zinc/23/88/25/1243238825.db2.gz PVGQXDQCQRYAMY-HNNXBMFYSA-N 1 2 346.394 2.221 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001096960942 1243491863 /nfs/dbraw/zinc/49/18/63/1243491863.db2.gz MOLOZAGWBOIWGO-AWEZNQCLSA-N 1 2 343.475 2.080 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001096960942 1243491866 /nfs/dbraw/zinc/49/18/66/1243491866.db2.gz MOLOZAGWBOIWGO-AWEZNQCLSA-N 1 2 343.475 2.080 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001097067891 1243651339 /nfs/dbraw/zinc/65/13/39/1243651339.db2.gz VNCLRRIYXPEIAG-SHTZXODSSA-N 1 2 344.463 2.074 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1[nH]nc3c1CCCC3)C2 ZINC001097076008 1243661996 /nfs/dbraw/zinc/66/19/96/1243661996.db2.gz HXGXRAQWGGTZKH-JLZZUVOBSA-N 1 2 348.878 2.305 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1[nH]nc3c1CCCC3)C2 ZINC001097076008 1243662004 /nfs/dbraw/zinc/66/20/04/1243662004.db2.gz HXGXRAQWGGTZKH-JLZZUVOBSA-N 1 2 348.878 2.305 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097193185 1243806159 /nfs/dbraw/zinc/80/61/59/1243806159.db2.gz GXNNIERDJPRAEB-GASCZTMLSA-N 1 2 344.459 2.316 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3[nH]c(=O)[nH]c31)C2 ZINC001097240013 1243868067 /nfs/dbraw/zinc/86/80/67/1243868067.db2.gz WMINQBHWBWRJJC-HONMWMINSA-N 1 2 346.818 2.356 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3[nH]c(=O)[nH]c31)C2 ZINC001097240013 1243868072 /nfs/dbraw/zinc/86/80/72/1243868072.db2.gz WMINQBHWBWRJJC-HONMWMINSA-N 1 2 346.818 2.356 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[NH+](Cc1nnc(C)[nH]1)CC2 ZINC001050649678 1244033047 /nfs/dbraw/zinc/03/30/47/1244033047.db2.gz FTYJTVIQPYWKCJ-KRWDZBQOSA-N 1 2 331.464 2.140 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CNc2cc[nH+]c(C)n2)CC1 ZINC001057547431 1244215856 /nfs/dbraw/zinc/21/58/56/1244215856.db2.gz ANNHKRDLJMYSSY-SJORKVTESA-N 1 2 344.459 2.417 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001050742550 1244261702 /nfs/dbraw/zinc/26/17/02/1244261702.db2.gz PJOCLEPBCVUTII-UKRRQHHQSA-N 1 2 346.475 2.216 20 30 EEEDLO C=C(C)CNC(=S)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000780212646 1244363973 /nfs/dbraw/zinc/36/39/73/1244363973.db2.gz SRNJVORUKIKPAQ-UHFFFAOYSA-N 1 2 346.500 2.213 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097613950 1244421770 /nfs/dbraw/zinc/42/17/70/1244421770.db2.gz PWKHKJWQWKGCKY-NXHRZFHOSA-N 1 2 335.411 2.125 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097613950 1244421775 /nfs/dbraw/zinc/42/17/75/1244421775.db2.gz PWKHKJWQWKGCKY-NXHRZFHOSA-N 1 2 335.411 2.125 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3nonc3c1)C2 ZINC001097772037 1244588888 /nfs/dbraw/zinc/58/88/88/1244588888.db2.gz XKZSHCHCEPQBPC-DFBGVHRSSA-N 1 2 332.791 2.310 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3nonc3c1)C2 ZINC001097772037 1244588895 /nfs/dbraw/zinc/58/88/95/1244588895.db2.gz XKZSHCHCEPQBPC-DFBGVHRSSA-N 1 2 332.791 2.310 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1Cc3ccncc3C1)C2 ZINC001097858268 1244697034 /nfs/dbraw/zinc/69/70/34/1244697034.db2.gz OGMZYDKTWPLCIU-DZUCGIPZSA-N 1 2 331.847 2.270 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1Cc3ccncc3C1)C2 ZINC001097858268 1244697044 /nfs/dbraw/zinc/69/70/44/1244697044.db2.gz OGMZYDKTWPLCIU-DZUCGIPZSA-N 1 2 331.847 2.270 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3cnn(C)n3)CC2)CC1 ZINC001052682655 1244742410 /nfs/dbraw/zinc/74/24/10/1244742410.db2.gz WYYRIRBAZOXXGB-INIZCTEOSA-N 1 2 331.464 2.032 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3cnn(C)n3)CC2)CC1 ZINC001052682655 1244742414 /nfs/dbraw/zinc/74/24/14/1244742414.db2.gz WYYRIRBAZOXXGB-INIZCTEOSA-N 1 2 331.464 2.032 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001052691579 1244764200 /nfs/dbraw/zinc/76/42/00/1244764200.db2.gz SMRQUOAZEIRYSA-HUUCEWRRSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2cc(F)ccc21 ZINC001051029233 1244875624 /nfs/dbraw/zinc/87/56/24/1244875624.db2.gz KNYBMHJQOIAURF-AEFFLSMTSA-N 1 2 332.419 2.249 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2cc(F)ccc21 ZINC001051029233 1244875634 /nfs/dbraw/zinc/87/56/34/1244875634.db2.gz KNYBMHJQOIAURF-AEFFLSMTSA-N 1 2 332.419 2.249 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC001051046059 1244903394 /nfs/dbraw/zinc/90/33/94/1244903394.db2.gz IBKLNTUDOBNFPG-WMZOPIPTSA-N 1 2 344.455 2.173 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC001051046059 1244903403 /nfs/dbraw/zinc/90/34/03/1244903403.db2.gz IBKLNTUDOBNFPG-WMZOPIPTSA-N 1 2 344.455 2.173 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(-c2cccs2)on1 ZINC001051052350 1244912532 /nfs/dbraw/zinc/91/25/32/1244912532.db2.gz RAAVSDNYUUJIMJ-CYBMUJFWSA-N 1 2 347.440 2.410 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(-c2cccs2)on1 ZINC001051052350 1244912544 /nfs/dbraw/zinc/91/25/44/1244912544.db2.gz RAAVSDNYUUJIMJ-CYBMUJFWSA-N 1 2 347.440 2.410 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2scnc2c1 ZINC001051188910 1245365627 /nfs/dbraw/zinc/36/56/27/1245365627.db2.gz GWJPTJGDWSMMLX-AWEZNQCLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2scnc2c1 ZINC001051188910 1245365632 /nfs/dbraw/zinc/36/56/32/1245365632.db2.gz GWJPTJGDWSMMLX-AWEZNQCLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2ccn(C)c2c1 ZINC001051193862 1245372224 /nfs/dbraw/zinc/37/22/24/1245372224.db2.gz OWQGXNCIUUQNFG-QGZVFWFLSA-N 1 2 327.428 2.185 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2ccn(C)c2c1 ZINC001051193862 1245372230 /nfs/dbraw/zinc/37/22/30/1245372230.db2.gz OWQGXNCIUUQNFG-QGZVFWFLSA-N 1 2 327.428 2.185 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]nc1C1CCCCC1 ZINC001051201337 1245381246 /nfs/dbraw/zinc/38/12/46/1245381246.db2.gz JWXBAORDJXCFMR-INIZCTEOSA-N 1 2 346.475 2.464 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]nc1C1CCCCC1 ZINC001051201337 1245381253 /nfs/dbraw/zinc/38/12/53/1245381253.db2.gz JWXBAORDJXCFMR-INIZCTEOSA-N 1 2 346.475 2.464 20 30 EEEDLO C=C(C)CCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001051248854 1245437909 /nfs/dbraw/zinc/43/79/09/1245437909.db2.gz GAAYYGGUFFWXRS-HUUCEWRRSA-N 1 2 346.475 2.397 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 ZINC001051254822 1245444414 /nfs/dbraw/zinc/44/44/14/1245444414.db2.gz NYCJTAGJLPFCCW-HKUYNNGSSA-N 1 2 344.455 2.000 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 ZINC001051254822 1245444419 /nfs/dbraw/zinc/44/44/19/1245444419.db2.gz NYCJTAGJLPFCCW-HKUYNNGSSA-N 1 2 344.455 2.000 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@@H]([C@@H](C)NC(=O)Cc3c[nH]c[nH+]3)C2)CCC1 ZINC001051528907 1245834850 /nfs/dbraw/zinc/83/48/50/1245834850.db2.gz VSPKLPHPPJKUPD-HUUCEWRRSA-N 1 2 344.459 2.052 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)OCCC(C)C)c1nccn12 ZINC001101653957 1246086298 /nfs/dbraw/zinc/08/62/98/1246086298.db2.gz GVJXFEOYFLPBGI-JKSUJKDBSA-N 1 2 346.475 2.092 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCOC2(C[NH+](CC[C@H](C)F)C2)C1 ZINC001053272360 1246123795 /nfs/dbraw/zinc/12/37/95/1246123795.db2.gz HQAZLRKTWIOBBX-LBPRGKRZSA-N 1 2 332.847 2.426 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CCC(C)(C)CO1)CCO2 ZINC001053345285 1246216322 /nfs/dbraw/zinc/21/63/22/1246216322.db2.gz PWXIOXPSEIYGEE-MRXNPFEDSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCOC3(C[NH+](CCC[C@@H]4CCOC4)C3)C2)C1 ZINC001053418611 1246309106 /nfs/dbraw/zinc/30/91/06/1246309106.db2.gz XYTYXGMOLMNWSH-QGZVFWFLSA-N 1 2 348.487 2.073 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCc3ccccc3C1)CCO2 ZINC001053445355 1246338593 /nfs/dbraw/zinc/33/85/93/1246338593.db2.gz GWAIKQZAHSYNBE-LJQANCHMSA-N 1 2 340.467 2.281 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1scnc1C(C)C)CCO2 ZINC001053464022 1246363725 /nfs/dbraw/zinc/36/37/25/1246363725.db2.gz VYQHVMOTHRGGDH-UHFFFAOYSA-N 1 2 335.473 2.369 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3coc(C(F)F)c3)C2)CC1 ZINC001052070232 1246443527 /nfs/dbraw/zinc/44/35/27/1246443527.db2.gz DZXBIOKPWZPJHD-AWEZNQCLSA-N 1 2 339.386 2.235 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C)c(C)s3)C2)CC1 ZINC001052117668 1246502072 /nfs/dbraw/zinc/50/20/72/1246502072.db2.gz WPGYARCNDOZFNC-MRXNPFEDSA-N 1 2 333.501 2.383 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nc(C)sc1C)O2 ZINC001053614854 1246536853 /nfs/dbraw/zinc/53/68/53/1246536853.db2.gz SDIWGXPQWIGMHS-CQSZACIVSA-N 1 2 335.473 2.299 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cncc(CC)c1)O2 ZINC001053628907 1246557305 /nfs/dbraw/zinc/55/73/05/1246557305.db2.gz APULCXBWTXHUQF-QGZVFWFLSA-N 1 2 329.444 2.183 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cncc(CC)c1)O2 ZINC001053628906 1246557848 /nfs/dbraw/zinc/55/78/48/1246557848.db2.gz APULCXBWTXHUQF-KRWDZBQOSA-N 1 2 329.444 2.183 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn(C(C)C)cn1)O2 ZINC001053637493 1246571101 /nfs/dbraw/zinc/57/11/01/1246571101.db2.gz ALRNWCBNCFYKQH-OAHLLOKOSA-N 1 2 332.448 2.003 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3cc[nH]c3c1)O2 ZINC001053671233 1246619825 /nfs/dbraw/zinc/61/98/25/1246619825.db2.gz DSBQAORSZWANPM-INIZCTEOSA-N 1 2 325.412 2.317 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1sc(CC)nc1C)O2 ZINC001053675329 1246628854 /nfs/dbraw/zinc/62/88/54/1246628854.db2.gz LZVUFTGMPRHUQF-CYBMUJFWSA-N 1 2 335.473 2.163 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1nc(C(C)C)oc1C)CO2 ZINC001053801257 1246806872 /nfs/dbraw/zinc/80/68/72/1246806872.db2.gz ILJROGJQMKQJJJ-AWEZNQCLSA-N 1 2 333.432 2.256 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3ccccc3s1)CO2 ZINC001053860045 1246923255 /nfs/dbraw/zinc/92/32/55/1246923255.db2.gz SVLCIUSMLJECJW-HNNXBMFYSA-N 1 2 340.448 2.498 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C(C)C)nn1CC)CO2 ZINC001053861169 1246925824 /nfs/dbraw/zinc/92/58/24/1246925824.db2.gz CNFLIOMHICVNIE-OAHLLOKOSA-N 1 2 346.475 2.176 20 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/nfs/dbraw/zinc/20/41/57/1303204157.db2.gz SLCDIQLNVYZVCO-ZDUSSCGKSA-N 1 2 337.489 2.377 20 30 EEEDLO Cc1nc(N2CCC(CCNC(=O)c3ccc(C#N)[nH]3)CC2)cc[nH+]1 ZINC001103684159 1303222756 /nfs/dbraw/zinc/22/27/56/1303222756.db2.gz SFFXLOLQTBZGFV-UHFFFAOYSA-N 1 2 338.415 2.021 20 30 EEEDLO C=CCOCC(=O)NCC[C@H]1CCCN1c1nc(C)[nH+]c(C)c1C ZINC001103722883 1303263312 /nfs/dbraw/zinc/26/33/12/1303263312.db2.gz JCAUHKWUWXHSIP-MRXNPFEDSA-N 1 2 332.448 2.080 20 30 EEEDLO CCOCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001230860373 1303507022 /nfs/dbraw/zinc/50/70/22/1303507022.db2.gz IXLDSJDQQVGHOA-CQSZACIVSA-N 1 2 335.473 2.469 20 30 EEEDLO CCOCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001230860373 1303507030 /nfs/dbraw/zinc/50/70/30/1303507030.db2.gz IXLDSJDQQVGHOA-CQSZACIVSA-N 1 2 335.473 2.469 20 30 EEEDLO CC[C@@H](OC)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001231101273 1303629877 /nfs/dbraw/zinc/62/98/77/1303629877.db2.gz ARCHPLGEZGTTND-DLBZAZTESA-N 1 2 345.443 2.025 20 30 EEEDLO CC[C@@H](OC)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001231101273 1303629880 /nfs/dbraw/zinc/62/98/80/1303629880.db2.gz ARCHPLGEZGTTND-DLBZAZTESA-N 1 2 345.443 2.025 20 30 EEEDLO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](CCC#N)C1CCCC1 ZINC001231835343 1303927221 /nfs/dbraw/zinc/92/72/21/1303927221.db2.gz HUHAWNCNWKGEDD-UHFFFAOYSA-N 1 2 331.464 2.223 20 30 EEEDLO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](CCC#N)C1CCCC1 ZINC001231835343 1303927223 /nfs/dbraw/zinc/92/72/23/1303927223.db2.gz HUHAWNCNWKGEDD-UHFFFAOYSA-N 1 2 331.464 2.223 20 30 EEEDLO Cc1nsc(NC2(CNC(=O)CCn3cc[nH+]c3)CCC2)c1C#N ZINC001111876607 1304040850 /nfs/dbraw/zinc/04/08/50/1304040850.db2.gz WLFLUAWNFGMQEO-UHFFFAOYSA-N 1 2 344.444 2.061 20 30 EEEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001232609699 1304190583 /nfs/dbraw/zinc/19/05/83/1304190583.db2.gz PZBWXECJTITAGS-UHFFFAOYSA-N 1 2 331.803 2.230 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(Cl)ncc3O)CC2)c1 ZINC001233035041 1304336075 /nfs/dbraw/zinc/33/60/75/1304336075.db2.gz WMBMQKQFIAVIQX-UHFFFAOYSA-N 1 2 329.791 2.029 20 30 EEEDLO CC#CCCCC(=O)NC1(CNc2cc[nH+]c(C)n2)CCOCC1 ZINC001112265071 1304385577 /nfs/dbraw/zinc/38/55/77/1304385577.db2.gz FLAKXLXPLFVQBJ-UHFFFAOYSA-N 1 2 330.432 2.056 20 30 EEEDLO CC[NH+](CC)[C@@H](C(=O)OCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000784226950 1304446237 /nfs/dbraw/zinc/44/62/37/1304446237.db2.gz YIWQJPOLHDSYPR-QGZVFWFLSA-N 1 2 343.427 2.175 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)=C1CCCC1 ZINC001233600011 1304529198 /nfs/dbraw/zinc/52/91/98/1304529198.db2.gz HTLWNEQWQUNRRS-NVXWUHKLSA-N 1 2 333.476 2.100 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)=C1CCCC1 ZINC001233600011 1304529201 /nfs/dbraw/zinc/52/92/01/1304529201.db2.gz HTLWNEQWQUNRRS-NVXWUHKLSA-N 1 2 333.476 2.100 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)Cc1cccnc1 ZINC001233705746 1304564089 /nfs/dbraw/zinc/56/40/89/1304564089.db2.gz FZCOXTRDZQWFMZ-FQEVSTJZSA-N 1 2 333.435 2.209 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)Cc1cccnc1 ZINC001233705746 1304564091 /nfs/dbraw/zinc/56/40/91/1304564091.db2.gz FZCOXTRDZQWFMZ-FQEVSTJZSA-N 1 2 333.435 2.209 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001233977269 1304664993 /nfs/dbraw/zinc/66/49/93/1304664993.db2.gz MQTFDPPPRWWGDH-UYAOXDASSA-N 1 2 344.430 2.037 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001233977269 1304664996 /nfs/dbraw/zinc/66/49/96/1304664996.db2.gz MQTFDPPPRWWGDH-UYAOXDASSA-N 1 2 344.430 2.037 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CC(C)(C)C1CC1 ZINC001234098481 1304739096 /nfs/dbraw/zinc/73/90/96/1304739096.db2.gz DGLCWUWKCCRFDJ-ZBFHGGJFSA-N 1 2 335.492 2.036 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC(C)(C)C1CC1 ZINC001234098481 1304739104 /nfs/dbraw/zinc/73/91/04/1304739104.db2.gz DGLCWUWKCCRFDJ-ZBFHGGJFSA-N 1 2 335.492 2.036 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC1CCCCC1 ZINC001234592798 1304979028 /nfs/dbraw/zinc/97/90/28/1304979028.db2.gz FCNTWAMHQKUUFE-KRWDZBQOSA-N 1 2 335.492 2.324 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC1CCCCC1 ZINC001234592798 1304979032 /nfs/dbraw/zinc/97/90/32/1304979032.db2.gz FCNTWAMHQKUUFE-KRWDZBQOSA-N 1 2 335.492 2.324 20 30 EEEDLO C#CC[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21)c1ccccc1 ZINC001115352580 1304981737 /nfs/dbraw/zinc/98/17/37/1304981737.db2.gz QDFOUWKZFVJHHU-XFIJJGBISA-N 1 2 349.434 2.418 20 30 EEEDLO C#CC[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21)c1ccccc1 ZINC001115352580 1304981740 /nfs/dbraw/zinc/98/17/40/1304981740.db2.gz QDFOUWKZFVJHHU-XFIJJGBISA-N 1 2 349.434 2.418 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1n[nH]c(C)c1C ZINC001152561475 1316689432 /nfs/dbraw/zinc/68/94/32/1316689432.db2.gz LMPZXLQTOVCLDW-SNVBAGLBSA-N 1 2 343.269 2.375 20 30 EEEDLO Cc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)cc1C#N ZINC001239093114 1309026798 /nfs/dbraw/zinc/02/67/98/1309026798.db2.gz KFUWVKNMMMSIAX-GOSISDBHSA-N 1 2 341.436 2.202 20 30 EEEDLO Cc1cc(C#N)nc(N[C@@H](C)CN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)n1 ZINC001120877673 1309808487 /nfs/dbraw/zinc/80/84/87/1309808487.db2.gz CMOPSLBCUQFYCX-LBPRGKRZSA-N 1 2 349.398 2.106 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C[C@H](O)CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001124775619 1310948801 /nfs/dbraw/zinc/94/88/01/1310948801.db2.gz SDDUBYZYWJFTHC-OAHLLOKOSA-N 1 2 346.475 2.496 20 30 EEEDLO C#CCC1(C(=O)NCCC2=CC[N@H+](Cc3nc(C)no3)CC2)CCC1 ZINC001160315160 1320130907 /nfs/dbraw/zinc/13/09/07/1320130907.db2.gz VPPCINJXDJFFRY-UHFFFAOYSA-N 1 2 342.443 2.210 20 30 EEEDLO C#CCC1(C(=O)NCCC2=CC[N@@H+](Cc3nc(C)no3)CC2)CCC1 ZINC001160315160 1320130909 /nfs/dbraw/zinc/13/09/09/1320130909.db2.gz VPPCINJXDJFFRY-UHFFFAOYSA-N 1 2 342.443 2.210 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001125224452 1314443737 /nfs/dbraw/zinc/44/37/37/1314443737.db2.gz WPLVXKKCVRTLHQ-DYVFJYSZSA-N 1 2 348.491 2.260 20 30 EEEDLO C#CCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2noc(CCC)n2)C12CCC2 ZINC001202831911 1314617404 /nfs/dbraw/zinc/61/74/04/1314617404.db2.gz GREGBJIWJZWAST-GJZGRUSLSA-N 1 2 344.459 2.343 20 30 EEEDLO CCc1nc(C[NH2+][C@H]2C[C@H](NC(=O)C#CC(C)(C)C)C23CCC3)no1 ZINC001202920682 1314728996 /nfs/dbraw/zinc/72/89/96/1314728996.db2.gz NXVSXQQNXGNDFN-KBPBESRZSA-N 1 2 344.459 2.199 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c1F ZINC001143170004 1315879478 /nfs/dbraw/zinc/87/94/78/1315879478.db2.gz WYFRSQGCPUVBKB-GOSISDBHSA-N 1 2 341.365 2.481 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c1F ZINC001143170004 1315879480 /nfs/dbraw/zinc/87/94/80/1315879480.db2.gz WYFRSQGCPUVBKB-GOSISDBHSA-N 1 2 341.365 2.481 20 30 EEEDLO C/C=C(\C)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC001149503951 1315978208 /nfs/dbraw/zinc/97/82/08/1315978208.db2.gz DGXYRQSRPZBKIR-UEHGYGDOSA-N 1 2 345.418 2.371 20 30 EEEDLO C/C=C(\C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC001149503951 1315978210 /nfs/dbraw/zinc/97/82/10/1315978210.db2.gz DGXYRQSRPZBKIR-UEHGYGDOSA-N 1 2 345.418 2.371 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C2(c3cccnc3)CC2)C1 ZINC001150159730 1316184607 /nfs/dbraw/zinc/18/46/07/1316184607.db2.gz NLCPKRRTUVNEAM-MRXNPFEDSA-N 1 2 349.862 2.073 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C2(c3cccnc3)CC2)C1 ZINC001150159730 1316184611 /nfs/dbraw/zinc/18/46/11/1316184611.db2.gz NLCPKRRTUVNEAM-MRXNPFEDSA-N 1 2 349.862 2.073 20 30 EEEDLO CC#CCCCC(=O)NC[C@@H]1C[N@H+](Cc2cncc(F)c2)CCCO1 ZINC001150166372 1316187414 /nfs/dbraw/zinc/18/74/14/1316187414.db2.gz SKYMHOKJBXEAFG-GOSISDBHSA-N 1 2 347.434 2.121 20 30 EEEDLO CC#CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2cncc(F)c2)CCCO1 ZINC001150166372 1316187415 /nfs/dbraw/zinc/18/74/15/1316187415.db2.gz SKYMHOKJBXEAFG-GOSISDBHSA-N 1 2 347.434 2.121 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1C[N@H+](Cc2nc(C)oc2C)CCCO1 ZINC001150212589 1316204131 /nfs/dbraw/zinc/20/41/31/1316204131.db2.gz SGAMHGHCVHLMDZ-MRXNPFEDSA-N 1 2 335.448 2.355 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2nc(C)oc2C)CCCO1 ZINC001150212589 1316204132 /nfs/dbraw/zinc/20/41/32/1316204132.db2.gz SGAMHGHCVHLMDZ-MRXNPFEDSA-N 1 2 335.448 2.355 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C)c2ccco2)C1 ZINC001150315616 1316232922 /nfs/dbraw/zinc/23/29/22/1316232922.db2.gz AGPMTLXCNFVZAC-KGLIPLIRSA-N 1 2 326.824 2.343 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C)c2ccco2)C1 ZINC001150315616 1316232924 /nfs/dbraw/zinc/23/29/24/1316232924.db2.gz AGPMTLXCNFVZAC-KGLIPLIRSA-N 1 2 326.824 2.343 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1n[nH]c(C)c1C ZINC001152561475 1316689431 /nfs/dbraw/zinc/68/94/31/1316689431.db2.gz LMPZXLQTOVCLDW-SNVBAGLBSA-N 1 2 343.269 2.375 20 30 EEEDLO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cnn2ccc(C#N)cc12 ZINC001249118871 1317005922 /nfs/dbraw/zinc/00/59/22/1317005922.db2.gz MKYQPLFRMKGHEB-ZVZYQTTQSA-N 1 2 338.411 2.370 20 30 EEEDLO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cnn2ccc(C#N)cc12 ZINC001249118871 1317005927 /nfs/dbraw/zinc/00/59/27/1317005927.db2.gz MKYQPLFRMKGHEB-ZVZYQTTQSA-N 1 2 338.411 2.370 20 30 EEEDLO CC(C)(C)n1cc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)nn1 ZINC001249483362 1317101608 /nfs/dbraw/zinc/10/16/08/1317101608.db2.gz MFPYGSNEAVIECV-UHFFFAOYSA-N 1 2 339.447 2.012 20 30 EEEDLO CC(C)(C)n1cc(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)nn1 ZINC001249483362 1317101612 /nfs/dbraw/zinc/10/16/12/1317101612.db2.gz MFPYGSNEAVIECV-UHFFFAOYSA-N 1 2 339.447 2.012 20 30 EEEDLO C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4ccc(C#N)cc4)nc3c2)CC1 ZINC001250468019 1317260551 /nfs/dbraw/zinc/26/05/51/1317260551.db2.gz QDYMNLWYHKYKJW-UHFFFAOYSA-N 1 2 345.406 2.489 20 30 EEEDLO CN1CC[NH+](CCNc2ccc(-c3cc(C#N)ccc3F)cn2)CC1 ZINC001250633075 1317282127 /nfs/dbraw/zinc/28/21/27/1317282127.db2.gz XETQXRVOLJZXRI-UHFFFAOYSA-N 1 2 339.418 2.419 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Br ZINC001155321478 1317551991 /nfs/dbraw/zinc/55/19/91/1317551991.db2.gz PVFUZSKHAATNSS-MCIONIFRSA-N 1 2 345.281 2.313 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Br ZINC001155321478 1317551993 /nfs/dbraw/zinc/55/19/93/1317551993.db2.gz PVFUZSKHAATNSS-MCIONIFRSA-N 1 2 345.281 2.313 20 30 EEEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1ccnnc1 ZINC001155423224 1317590700 /nfs/dbraw/zinc/59/07/00/1317590700.db2.gz DLQMSRZNCGCGJY-CYBMUJFWSA-N 1 2 341.390 2.128 20 30 EEEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1ccnnc1 ZINC001155423224 1317590705 /nfs/dbraw/zinc/59/07/05/1317590705.db2.gz DLQMSRZNCGCGJY-CYBMUJFWSA-N 1 2 341.390 2.128 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncccn1 ZINC001155724187 1317713800 /nfs/dbraw/zinc/71/38/00/1317713800.db2.gz DMDUCOGYNAUKDA-RYRKJORJSA-N 1 2 346.475 2.175 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncccn1 ZINC001155724187 1317713806 /nfs/dbraw/zinc/71/38/06/1317713806.db2.gz DMDUCOGYNAUKDA-RYRKJORJSA-N 1 2 346.475 2.175 20 30 EEEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC)C(=O)OCC ZINC001255194447 1318315862 /nfs/dbraw/zinc/31/58/62/1318315862.db2.gz LHFFZKCNPRVPAE-NSIVTLKISA-N 1 2 336.432 2.236 20 30 EEEDLO N#C[C@@H]1C[NH2+]CCN1C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001257493521 1319009081 /nfs/dbraw/zinc/00/90/81/1319009081.db2.gz QZQYLQMOLRFHOO-VMWRSERWSA-N 1 2 333.476 2.276 20 30 EEEDLO COc1cc(N2CCN(c3ccc4c(C#N)c[nH]c4n3)CC2)cc[nH+]1 ZINC001158099628 1319014337 /nfs/dbraw/zinc/01/43/37/1319014337.db2.gz OBEUBOTVDSIEEN-UHFFFAOYSA-N 1 2 334.383 2.165 20 30 EEEDLO C[C@@H]1C[N@@H+](CCc2nnc(C#Cc3ccc(F)cc3F)o2)C[C@H](C)O1 ZINC001258048999 1319157229 /nfs/dbraw/zinc/15/72/29/1319157229.db2.gz ZKUIMRPSRDEQBT-BETUJISGSA-N 1 2 347.365 2.399 20 30 EEEDLO C[C@@H]1C[N@H+](CCc2nnc(C#Cc3ccc(F)cc3F)o2)C[C@H](C)O1 ZINC001258048999 1319157239 /nfs/dbraw/zinc/15/72/39/1319157239.db2.gz ZKUIMRPSRDEQBT-BETUJISGSA-N 1 2 347.365 2.399 20 30 EEEDLO N#Cc1ncc(Cl)nc1N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001158622240 1319338869 /nfs/dbraw/zinc/33/88/69/1319338869.db2.gz BZUDJHCGFAJNTH-NSHDSACASA-N 1 2 327.766 2.311 20 30 EEEDLO N#Cc1cnc(Cl)nc1N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001158623794 1319340763 /nfs/dbraw/zinc/34/07/63/1319340763.db2.gz JGMONDQNTLSJLE-LLVKDONJSA-N 1 2 327.766 2.311 20 30 EEEDLO C[C@H]1C[NH+](C2CN(c3ccc(C4(C#N)CCC4)cn3)C2)C[C@H](C)O1 ZINC001158718265 1319397212 /nfs/dbraw/zinc/39/72/12/1319397212.db2.gz RQDSHXFREVXDHL-GJZGRUSLSA-N 1 2 326.444 2.325 20 30 EEEDLO CCOC(=O)n1nc2c(c1Nc1ccc(C#N)cn1)C[NH2+]C2(C)C ZINC001159654740 1319937375 /nfs/dbraw/zinc/93/73/75/1319937375.db2.gz HGXYOAYOEGRKHV-UHFFFAOYSA-N 1 2 326.360 2.236 20 30 EEEDLO Cc1cnc(C[N@H+]2CC=C(CCNC(=O)C#CC(C)C)CC2)nc1 ZINC001160054895 1320058965 /nfs/dbraw/zinc/05/89/65/1320058965.db2.gz LMMOURQLLXEMEP-UHFFFAOYSA-N 1 2 326.444 2.083 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC=C(CCNC(=O)C#CC(C)C)CC2)nc1 ZINC001160054895 1320058969 /nfs/dbraw/zinc/05/89/69/1320058969.db2.gz LMMOURQLLXEMEP-UHFFFAOYSA-N 1 2 326.444 2.083 20 30 EEEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@H+](Cc2cn(C)nn2)CC1 ZINC001160242541 1320108782 /nfs/dbraw/zinc/10/87/82/1320108782.db2.gz WFNRMGDHPZTSPO-UHFFFAOYSA-N 1 2 331.464 2.056 20 30 EEEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@@H+](Cc2cn(C)nn2)CC1 ZINC001160242541 1320108784 /nfs/dbraw/zinc/10/87/84/1320108784.db2.gz WFNRMGDHPZTSPO-UHFFFAOYSA-N 1 2 331.464 2.056 20 30 EEEDLO COC(=O)[C@@H]1C[C@H](Nc2cc(C(F)(F)F)ccc2CC#N)C[NH2+]1 ZINC001164308647 1321346117 /nfs/dbraw/zinc/34/61/17/1321346117.db2.gz OMKMCTPXFLDNDL-AAEUAGOBSA-N 1 2 327.306 2.087 20 30 EEEDLO CCn1nnc2c1[C@H](COC)CN(c1[nH+]ccc3ccc(C#N)cc31)C2 ZINC001165523613 1321540240 /nfs/dbraw/zinc/54/02/40/1321540240.db2.gz AOQFPPASGRJJCQ-HNNXBMFYSA-N 1 2 348.410 2.468 20 30 EEEDLO N#Cc1ccc(N2CCCN(c3cc(N)cc(Cl)[nH+]3)CC2)nc1 ZINC001166840925 1321798268 /nfs/dbraw/zinc/79/82/68/1321798268.db2.gz UZBNFGYTDIIOLW-UHFFFAOYSA-N 1 2 328.807 2.301 20 30 EEEDLO N#Cc1nc(-c2ccc(CC[NH+]3CCOCC3)cc2)cc2[nH]cnc21 ZINC001205606761 1323213648 /nfs/dbraw/zinc/21/36/48/1323213648.db2.gz JZBPXMIMZSSQPQ-UHFFFAOYSA-N 1 2 333.395 2.371 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2sccc2C)C[C@H]1C ZINC001206490911 1323511114 /nfs/dbraw/zinc/51/11/14/1323511114.db2.gz VQZDRABFIOZSFG-HUUCEWRRSA-N 1 2 349.500 2.075 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NCc2sccc2C)C[C@H]1C ZINC001206490911 1323511121 /nfs/dbraw/zinc/51/11/21/1323511121.db2.gz VQZDRABFIOZSFG-HUUCEWRRSA-N 1 2 349.500 2.075 20 30 EEEDLO CCc1nc(C#N)cc(-c2cc(C[NH+]3CCOCC3)ccc2OC)n1 ZINC001206502702 1323514269 /nfs/dbraw/zinc/51/42/69/1323514269.db2.gz JSFUSWWJBNHIEC-UHFFFAOYSA-N 1 2 338.411 2.418 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2nonc2C)C[C@H]1C ZINC001207132103 1323868078 /nfs/dbraw/zinc/86/80/78/1323868078.db2.gz OHKTZRFNLRCSRK-BXKDBHETSA-N 1 2 326.828 2.093 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2nonc2C)C[C@H]1C ZINC001207132103 1323868083 /nfs/dbraw/zinc/86/80/83/1323868083.db2.gz OHKTZRFNLRCSRK-BXKDBHETSA-N 1 2 326.828 2.093 20 30 EEEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2nccn2CC)C[C@H]1C)OCC ZINC001207255728 1323917191 /nfs/dbraw/zinc/91/71/91/1323917191.db2.gz OPRMMAQICIOWNH-ZACQAIPSSA-N 1 2 348.491 2.211 20 30 EEEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2nccn2CC)C[C@H]1C)OCC ZINC001207255728 1323917194 /nfs/dbraw/zinc/91/71/94/1323917194.db2.gz OPRMMAQICIOWNH-ZACQAIPSSA-N 1 2 348.491 2.211 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2cc(C)n(C)n2)C[C@H]1C)OCC ZINC001207255660 1323917241 /nfs/dbraw/zinc/91/72/41/1323917241.db2.gz MOTQTNSXSWMRKR-ZTFGCOKTSA-N 1 2 348.491 2.036 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)n(C)n2)C[C@H]1C)OCC ZINC001207255660 1323917245 /nfs/dbraw/zinc/91/72/45/1323917245.db2.gz MOTQTNSXSWMRKR-ZTFGCOKTSA-N 1 2 348.491 2.036 20 30 EEEDLO Cc1ccc(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)N[C@H](C)c2ncc[nH]2)cc1C#N ZINC001279754424 1323991155 /nfs/dbraw/zinc/99/11/55/1323991155.db2.gz DYYOSXUVOYCQLP-ZTQAJYAQSA-N 1 2 349.438 2.432 20 30 EEEDLO Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N[C@H](C)c2ncc[nH]2)cc1C#N ZINC001279754424 1323991158 /nfs/dbraw/zinc/99/11/58/1323991158.db2.gz DYYOSXUVOYCQLP-ZTQAJYAQSA-N 1 2 349.438 2.432 20 30 EEEDLO N#CC1(NC(=O)[C@]23C[C@H]2CC[N@@H+]3Cc2cnc3ccccc3n2)CCC1 ZINC001280186096 1324106880 /nfs/dbraw/zinc/10/68/80/1324106880.db2.gz LDOWRVZHJGAVMB-VLIAUNLRSA-N 1 2 347.422 2.157 20 30 EEEDLO N#CC1(NC(=O)[C@]23C[C@H]2CC[N@H+]3Cc2cnc3ccccc3n2)CCC1 ZINC001280186096 1324106882 /nfs/dbraw/zinc/10/68/82/1324106882.db2.gz LDOWRVZHJGAVMB-VLIAUNLRSA-N 1 2 347.422 2.157 20 30 EEEDLO CC(C)C#CC(=O)N1CCC[C@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC001208009423 1324262031 /nfs/dbraw/zinc/26/20/31/1324262031.db2.gz ZWDYCSZFUCGKQN-AWEZNQCLSA-N 1 2 332.448 2.107 20 30 EEEDLO CC(C)Cc1noc(C[NH2+][C@H]2CCCN(C(=O)C#CC(C)(C)C)C2)n1 ZINC001208010784 1324263382 /nfs/dbraw/zinc/26/33/82/1324263382.db2.gz PMJZAIACWDUDBK-HNNXBMFYSA-N 1 2 346.475 2.398 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2nc(C)oc2C)C[C@H]1C ZINC001208149080 1324337252 /nfs/dbraw/zinc/33/72/52/1324337252.db2.gz CLWKSFFRUXANAR-NRXGSXMXSA-N 1 2 349.475 2.457 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)oc2C)C[C@H]1C ZINC001208149080 1324337259 /nfs/dbraw/zinc/33/72/59/1324337259.db2.gz CLWKSFFRUXANAR-NRXGSXMXSA-N 1 2 349.475 2.457 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2cccs2)C[C@H]1C ZINC001208318319 1324420548 /nfs/dbraw/zinc/42/05/48/1324420548.db2.gz SKWQKPYJCORHBZ-UKRRQHHQSA-N 1 2 349.500 2.013 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)NCc2cccs2)C[C@H]1C ZINC001208318319 1324420551 /nfs/dbraw/zinc/42/05/51/1324420551.db2.gz SKWQKPYJCORHBZ-UKRRQHHQSA-N 1 2 349.500 2.013 20 30 EEEDLO C#CCC1(C(=O)N2CCC[C@H]([NH2+]Cc3nnc(C4CC4)o3)C2)CCC1 ZINC001208319538 1324422637 /nfs/dbraw/zinc/42/26/37/1324422637.db2.gz VNVPMQFQLUSXNH-HNNXBMFYSA-N 1 2 342.443 2.221 20 30 EEEDLO CC#CCCCC(=O)N1CCC[C@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001209157171 1324826862 /nfs/dbraw/zinc/82/68/62/1324826862.db2.gz QVFHVZOLQDJKTA-INIZCTEOSA-N 1 2 344.459 2.296 20 30 EEEDLO C=CCCCC[N@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C(=O)OC ZINC001209204941 1324852560 /nfs/dbraw/zinc/85/25/60/1324852560.db2.gz MBGWGOAVUSKHAV-KGLIPLIRSA-N 1 2 326.437 2.483 20 30 EEEDLO C=CCCCC[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C(=O)OC ZINC001209204941 1324852566 /nfs/dbraw/zinc/85/25/66/1324852566.db2.gz MBGWGOAVUSKHAV-KGLIPLIRSA-N 1 2 326.437 2.483 20 30 EEEDLO C=CCOC[C@H]1C[N@@H+](Cc2c[nH]nc2C)Cc2nnn(CC3CC3)c21 ZINC001209555087 1324968413 /nfs/dbraw/zinc/96/84/13/1324968413.db2.gz VCACNXGMUYOBQD-MRXNPFEDSA-N 1 2 342.447 2.022 20 30 EEEDLO C=CCOC[C@H]1C[N@H+](Cc2c[nH]nc2C)Cc2nnn(CC3CC3)c21 ZINC001209555087 1324968418 /nfs/dbraw/zinc/96/84/18/1324968418.db2.gz VCACNXGMUYOBQD-MRXNPFEDSA-N 1 2 342.447 2.022 20 30 EEEDLO C#CC[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccccc1 ZINC001602718153 1350576985 /nfs/dbraw/zinc/57/69/85/1350576985.db2.gz PBPQVDFZMWRMII-UHFFFAOYSA-N 1 2 343.394 2.150 20 30 EEEDLO C#CC[N@@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccccc1 ZINC001602718153 1350576989 /nfs/dbraw/zinc/57/69/89/1350576989.db2.gz PBPQVDFZMWRMII-UHFFFAOYSA-N 1 2 343.394 2.150 20 30 EEEDLO COC(=O)[C@H](COC(C)C)[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC001307583014 1331541324 /nfs/dbraw/zinc/54/13/24/1331541324.db2.gz LHICKTOLJGNINE-KRWDZBQOSA-N 1 2 334.416 2.226 20 30 EEEDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC001307583014 1331541325 /nfs/dbraw/zinc/54/13/25/1331541325.db2.gz LHICKTOLJGNINE-KRWDZBQOSA-N 1 2 334.416 2.226 20 30 EEEDLO C=C[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC001325100598 1333828505 /nfs/dbraw/zinc/82/85/05/1333828505.db2.gz SAUADAMIMXNBCN-HNNXBMFYSA-N 1 2 345.443 2.233 20 30 EEEDLO C=CCCCCNC(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC001326174618 1334037039 /nfs/dbraw/zinc/03/70/39/1334037039.db2.gz MTYMTXXKPDUHNS-UHFFFAOYSA-N 1 2 340.427 2.020 20 30 EEEDLO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nc(-c2nn[nH]n2)cs1 ZINC001609499370 1351999788 /nfs/dbraw/zinc/99/97/88/1351999788.db2.gz MKBWQIOTRFLBSC-ZDUSSCGKSA-N 1 2 337.412 2.362 20 30 EEEDLO C=CCC[C@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC001336218252 1336502099 /nfs/dbraw/zinc/50/20/99/1336502099.db2.gz OHAGJZAYAWWUBU-DLBZAZTESA-N 1 2 346.475 2.440 20 30 EEEDLO C=CCC[C@H]1CCCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC001336218252 1336502101 /nfs/dbraw/zinc/50/21/01/1336502101.db2.gz OHAGJZAYAWWUBU-DLBZAZTESA-N 1 2 346.475 2.440 20 30 EEEDLO C=CC1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2C)CC1 ZINC001338137436 1336800466 /nfs/dbraw/zinc/80/04/66/1336800466.db2.gz AIQWOMCLOZUZEI-UHFFFAOYSA-N 1 2 328.464 2.311 20 30 EEEDLO C=CCn1c([C@@H]2C[C@H]2C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001338931368 1336933738 /nfs/dbraw/zinc/93/37/38/1336933738.db2.gz QEXHNVUQHOXHPI-CZUORRHYSA-N 1 2 342.447 2.206 20 30 EEEDLO C=CCn1c([C@H]2C[C@H]2C)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001340420103 1337179862 /nfs/dbraw/zinc/17/98/62/1337179862.db2.gz KVTZEDDRQQJJKR-WBVHZDCISA-N 1 2 338.459 2.305 20 30 EEEDLO CCOCCCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(C#N)CC1 ZINC001343936813 1337357643 /nfs/dbraw/zinc/35/76/43/1337357643.db2.gz BXBDKNHPPOWEAG-MRXNPFEDSA-N 1 2 346.479 2.211 20 30 EEEDLO CCOCCCn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(C#N)CC1 ZINC001343936813 1337357645 /nfs/dbraw/zinc/35/76/45/1337357645.db2.gz BXBDKNHPPOWEAG-MRXNPFEDSA-N 1 2 346.479 2.211 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3coc(C)c3)n2CC2CC2)CC1 ZINC001351291926 1337804519 /nfs/dbraw/zinc/80/45/19/1337804519.db2.gz GXBGSGRQMWNTHA-UHFFFAOYSA-N 1 2 325.416 2.012 20 30 EEEDLO C=C[C@@H](C(=O)NC[C@H]([NH2+]Cc1c[nH]nn1)C(C)C)c1ccccc1 ZINC001575061601 1343725947 /nfs/dbraw/zinc/72/59/47/1343725947.db2.gz ISNZQGSJSPUHCG-SJORKVTESA-N 1 2 327.432 2.005 20 30 EEEDLO C=C[C@@H](C(=O)NC[C@H]([NH2+]Cc1cn[nH]n1)C(C)C)c1ccccc1 ZINC001575061601 1343725953 /nfs/dbraw/zinc/72/59/53/1343725953.db2.gz ISNZQGSJSPUHCG-SJORKVTESA-N 1 2 327.432 2.005 20 30 EEEDLO C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC001589965635 1349084563 /nfs/dbraw/zinc/08/45/63/1349084563.db2.gz NRVPOUMDHRCDNP-NSHDSACASA-N 1 2 349.354 2.497 20 30 EEEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001602803044 1350588447 /nfs/dbraw/zinc/58/84/47/1350588447.db2.gz GJEYHVFRWVPLKP-GFCCVEGCSA-N 1 2 346.822 2.499 20 30 EEEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001602803044 1350588449 /nfs/dbraw/zinc/58/84/49/1350588449.db2.gz GJEYHVFRWVPLKP-GFCCVEGCSA-N 1 2 346.822 2.499 20 30 EEEDLO N#CCOc1ccc(CC(=O)OCCc2cn3c([nH+]2)CCCC3)cc1 ZINC001646864956 1353017165 /nfs/dbraw/zinc/01/71/65/1353017165.db2.gz HOHWCCXJNSYMHO-UHFFFAOYSA-N 1 2 339.395 2.450 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N[C@H](C)CC)C2)CC1 ZINC001660842160 1354548782 /nfs/dbraw/zinc/54/87/82/1354548782.db2.gz PFMVGMZTFDPGEH-WBVHZDCISA-N 1 2 335.492 2.228 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](CC(=O)N[C@H](C)CC)C2)CC1 ZINC001660842160 1354548784 /nfs/dbraw/zinc/54/87/84/1354548784.db2.gz PFMVGMZTFDPGEH-WBVHZDCISA-N 1 2 335.492 2.228 20 30 EEEDLO CC#CCCCC(=O)NCC[NH2+]Cc1nc(-c2ccccc2C)no1 ZINC001132592937 1367759102 /nfs/dbraw/zinc/75/91/02/1367759102.db2.gz JIBKHEXOGAQKKV-UHFFFAOYSA-N 1 2 340.427 2.444 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3nnc(CC)o3)C[C@H]21 ZINC001188909674 1368330298 /nfs/dbraw/zinc/33/02/98/1368330298.db2.gz WBLIPWZHZQUTHU-SOUVJXGZSA-N 1 2 332.448 2.267 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3nnc(CC)o3)C[C@H]21 ZINC001188909674 1368330305 /nfs/dbraw/zinc/33/03/05/1368330305.db2.gz WBLIPWZHZQUTHU-SOUVJXGZSA-N 1 2 332.448 2.267 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nnc(C4CC4)o3)C[C@H]21 ZINC001114319239 1369552676 /nfs/dbraw/zinc/55/26/76/1369552676.db2.gz KESJGOYWLFVACL-QLPKVWCKSA-N 1 2 342.443 2.262 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C4CC4)o3)C[C@H]21 ZINC001114319239 1369552679 /nfs/dbraw/zinc/55/26/79/1369552679.db2.gz KESJGOYWLFVACL-QLPKVWCKSA-N 1 2 342.443 2.262 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC(CC)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001069379608 1370100483 /nfs/dbraw/zinc/10/04/83/1370100483.db2.gz WBDTZWHPXVGAPC-UHFFFAOYSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001071261123 1370450450 /nfs/dbraw/zinc/45/04/50/1370450450.db2.gz MDXSUHVMMCZOJE-QAPCUYQASA-N 1 2 332.448 2.052 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001071261123 1370450455 /nfs/dbraw/zinc/45/04/55/1370450455.db2.gz MDXSUHVMMCZOJE-QAPCUYQASA-N 1 2 332.448 2.052 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)c2cocn2)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC001071388349 1370496476 /nfs/dbraw/zinc/49/64/76/1370496476.db2.gz DVMNHKLWZYNPQD-DOMZBBRYSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)c2cocn2)C[N@H+]1Cc1ccc(C#N)cc1F ZINC001071388349 1370496481 /nfs/dbraw/zinc/49/64/81/1370496481.db2.gz DVMNHKLWZYNPQD-DOMZBBRYSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)c2cocn2)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001071388637 1370497026 /nfs/dbraw/zinc/49/70/26/1370497026.db2.gz JYLSJZCKUHUWFO-DOMZBBRYSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)c2cocn2)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001071388637 1370497030 /nfs/dbraw/zinc/49/70/30/1370497030.db2.gz JYLSJZCKUHUWFO-DOMZBBRYSA-N 1 2 342.374 2.468 20 30 EEEDLO Cc1csc(C[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)CC[C@H]2C)n1 ZINC001071437081 1370505007 /nfs/dbraw/zinc/50/50/07/1370505007.db2.gz CCKWWYAGJAAXBR-OCCSQVGLSA-N 1 2 343.456 2.434 20 30 EEEDLO Cc1csc(C[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)CC[C@H]2C)n1 ZINC001071437081 1370505012 /nfs/dbraw/zinc/50/50/12/1370505012.db2.gz CCKWWYAGJAAXBR-OCCSQVGLSA-N 1 2 343.456 2.434 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CCC(CCNc2cc[nH+]c(C)n2)CC1 ZINC001103621568 1371040514 /nfs/dbraw/zinc/04/05/14/1371040514.db2.gz SXVOHZPZFRXMIT-SFHVURJKSA-N 1 2 332.448 2.153 20 30 EEEDLO C[C@@H](CNC(=O)CCn1cc[nH+]c1)CNc1ncc(C#N)cc1Cl ZINC001104152994 1371142724 /nfs/dbraw/zinc/14/27/24/1371142724.db2.gz OMDDQGCJERCMQI-LBPRGKRZSA-N 1 2 346.822 2.058 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)[nH]1)C2 ZINC001111851629 1371273894 /nfs/dbraw/zinc/27/38/94/1371273894.db2.gz HXDMRYUZYVQURO-VKJFTORMSA-N 1 2 331.464 2.186 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)[nH]1)C2 ZINC001111851629 1371273899 /nfs/dbraw/zinc/27/38/99/1371273899.db2.gz HXDMRYUZYVQURO-VKJFTORMSA-N 1 2 331.464 2.186 20 30 EEEDLO C=CCOCC(=O)N1C[C@@H](C)[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001112310748 1371385642 /nfs/dbraw/zinc/38/56/42/1371385642.db2.gz RVMBVAQNCMLNLP-DYVFJYSZSA-N 1 2 344.459 2.125 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC(O)(CNc2cc[nH+]c(C)n2)CC1 ZINC001112452044 1371450366 /nfs/dbraw/zinc/45/03/66/1371450366.db2.gz YOWREEDZJRNMPF-HNNXBMFYSA-N 1 2 332.448 2.153 20 30 EEEDLO C[C@@H]1CC(=NNCCC[NH+]2CCOCC2)C[N@H+](Cc2ccccc2)C1 ZINC000799489654 1371659526 /nfs/dbraw/zinc/65/95/26/1371659526.db2.gz YICRBOMKGOBIIM-GOSISDBHSA-N 1 2 344.503 2.196 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001120158934 1371811925 /nfs/dbraw/zinc/81/19/25/1371811925.db2.gz RQRKEUQZMDCZPJ-LBPRGKRZSA-N 1 2 334.468 2.107 20 30 EEEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001122400583 1371977429 /nfs/dbraw/zinc/97/74/29/1371977429.db2.gz SJXRRJOQHKRDDT-CQSZACIVSA-N 1 2 344.463 2.182 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC(=C)C ZINC001122626828 1372066419 /nfs/dbraw/zinc/06/64/19/1372066419.db2.gz DATGQQXAALXESW-GVDBMIGSSA-N 1 2 343.475 2.238 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC(=C)C ZINC001122626828 1372066422 /nfs/dbraw/zinc/06/64/22/1372066422.db2.gz DATGQQXAALXESW-GVDBMIGSSA-N 1 2 343.475 2.238 20 30 EEEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)C#CC2CC2)c2ccc(Cl)cc2)C1 ZINC000837505455 1372788124 /nfs/dbraw/zinc/78/81/24/1372788124.db2.gz IRLCKYAHPYPLNH-AEFFLSMTSA-N 1 2 332.831 2.241 20 30 EEEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)C#CC2CC2)c2ccc(Cl)cc2)C1 ZINC000837505455 1372788127 /nfs/dbraw/zinc/78/81/27/1372788127.db2.gz IRLCKYAHPYPLNH-AEFFLSMTSA-N 1 2 332.831 2.241 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH2+][C@@H](c2cccc(OC)c2)C1 ZINC001353779211 1373027047 /nfs/dbraw/zinc/02/70/47/1373027047.db2.gz ZKNMYUWAAOMBAP-IEBWSBKVSA-N 1 2 332.444 2.397 20 30 EEEDLO Cc1cccc([C@@H]2C(=O)NCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000848951520 1373196186 /nfs/dbraw/zinc/19/61/86/1373196186.db2.gz XOWGGFXRYWAZAU-RTBURBONSA-N 1 2 335.407 2.073 20 30 EEEDLO Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000848951520 1373196189 /nfs/dbraw/zinc/19/61/89/1373196189.db2.gz XOWGGFXRYWAZAU-RTBURBONSA-N 1 2 335.407 2.073 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](CC1CCC1)NC(C)=O ZINC001366662873 1373994820 /nfs/dbraw/zinc/99/48/20/1373994820.db2.gz KQPKZESETGAXFB-JKSUJKDBSA-N 1 2 341.883 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](CC1CCC1)NC(C)=O ZINC001366662873 1373994823 /nfs/dbraw/zinc/99/48/23/1373994823.db2.gz KQPKZESETGAXFB-JKSUJKDBSA-N 1 2 341.883 2.014 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(CCC)C(=O)COC)CC1 ZINC001370084148 1374793259 /nfs/dbraw/zinc/79/32/59/1374793259.db2.gz ULCMFHZYWYEZLO-UHFFFAOYSA-N 1 2 333.270 2.244 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(-n2cccn2)ccn1 ZINC001374537554 1376914531 /nfs/dbraw/zinc/91/45/31/1376914531.db2.gz SSASDPDZAGIHCZ-UHFFFAOYSA-N 1 2 333.823 2.024 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(-n2cccn2)ccn1 ZINC001374537554 1376914535 /nfs/dbraw/zinc/91/45/35/1376914535.db2.gz SSASDPDZAGIHCZ-UHFFFAOYSA-N 1 2 333.823 2.024 20 30 EEEDLO N#Cc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C(F)C(F)(F)F)C2)c1 ZINC001375495570 1377787854 /nfs/dbraw/zinc/78/78/54/1377787854.db2.gz BOAWZFVPKBPZMO-HZSPNIEDSA-N 1 2 343.324 2.443 20 30 EEEDLO N#Cc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)C2)c1 ZINC001375495570 1377787858 /nfs/dbraw/zinc/78/78/58/1377787858.db2.gz BOAWZFVPKBPZMO-HZSPNIEDSA-N 1 2 343.324 2.443 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccoc1 ZINC001377387504 1379193879 /nfs/dbraw/zinc/19/38/79/1379193879.db2.gz PBKYFMKVIVXVSM-CYBMUJFWSA-N 1 2 327.222 2.311 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccoc1 ZINC001377387504 1379193883 /nfs/dbraw/zinc/19/38/83/1379193883.db2.gz PBKYFMKVIVXVSM-CYBMUJFWSA-N 1 2 327.222 2.311 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cn(CC(F)F)nc1C ZINC001378070373 1379682078 /nfs/dbraw/zinc/68/20/78/1379682078.db2.gz WGNVWYMHEAMTNH-JTQLQIEISA-N 1 2 334.798 2.259 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cn(CC(F)F)nc1C ZINC001378070373 1379682080 /nfs/dbraw/zinc/68/20/80/1379682080.db2.gz WGNVWYMHEAMTNH-JTQLQIEISA-N 1 2 334.798 2.259 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cn2ncc3ccccc32)C1 ZINC001378552349 1380063986 /nfs/dbraw/zinc/06/39/86/1380063986.db2.gz GZJMBWVLEWZKEQ-CYBMUJFWSA-N 1 2 332.835 2.225 20 30 EEEDLO C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[N@H+](C)Cc1cnc(Cl)s1 ZINC001381508415 1381631830 /nfs/dbraw/zinc/63/18/30/1381631830.db2.gz OLUSMHGJDIFRII-VIFPVBQESA-N 1 2 337.836 2.247 20 30 EEEDLO 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349.378 2.169 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2csc(-c3ccco3)n2)C1 ZINC001035486462 784570646 /nfs/dbraw/zinc/57/06/46/784570646.db2.gz BNXJECZXYGSEQJ-CYBMUJFWSA-N 1 2 347.440 2.410 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2csc(-c3ccco3)n2)C1 ZINC001035486462 784570655 /nfs/dbraw/zinc/57/06/55/784570655.db2.gz BNXJECZXYGSEQJ-CYBMUJFWSA-N 1 2 347.440 2.410 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc3c(cc(C)cc3C)[nH]2)C1 ZINC001035465132 784586095 /nfs/dbraw/zinc/58/60/95/784586095.db2.gz FGGFYJBFGVFDJA-HNNXBMFYSA-N 1 2 327.428 2.401 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc3c(cc(C)cc3C)[nH]2)C1 ZINC001035465132 784586098 /nfs/dbraw/zinc/58/60/98/784586098.db2.gz FGGFYJBFGVFDJA-HNNXBMFYSA-N 1 2 327.428 2.401 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(F)c(Cl)cc2F)C1 ZINC001035495181 784629922 /nfs/dbraw/zinc/62/99/22/784629922.db2.gz GGQRACABXLSCMT-LLVKDONJSA-N 1 2 342.773 2.072 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc(F)c(Cl)cc2F)C1 ZINC001035495181 784629928 /nfs/dbraw/zinc/62/99/28/784629928.db2.gz GGQRACABXLSCMT-LLVKDONJSA-N 1 2 342.773 2.072 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2O[C@H](C)CC)C1 ZINC001035524106 784669140 /nfs/dbraw/zinc/66/91/40/784669140.db2.gz ZVKZHMBQXVKLSK-IAGOWNOFSA-N 1 2 344.455 2.318 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccccc2O[C@H](C)CC)C1 ZINC001035524106 784669149 /nfs/dbraw/zinc/66/91/49/784669149.db2.gz ZVKZHMBQXVKLSK-IAGOWNOFSA-N 1 2 344.455 2.318 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2C2CCCCC2)C1 ZINC001035572137 784706862 /nfs/dbraw/zinc/70/68/62/784706862.db2.gz RIRWIUZICMMXQI-HNNXBMFYSA-N 1 2 332.448 2.074 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2C2CCCCC2)C1 ZINC001035572137 784706864 /nfs/dbraw/zinc/70/68/64/784706864.db2.gz RIRWIUZICMMXQI-HNNXBMFYSA-N 1 2 332.448 2.074 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3ccccc3)nc2)C1 ZINC001035556100 784726816 /nfs/dbraw/zinc/72/68/16/784726816.db2.gz ONBFJVDFCCTFEW-IBGZPJMESA-N 1 2 349.434 2.203 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3ccccc3)nc2)C1 ZINC001035556100 784726822 /nfs/dbraw/zinc/72/68/22/784726822.db2.gz ONBFJVDFCCTFEW-IBGZPJMESA-N 1 2 349.434 2.203 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnoc2-c2ccccc2)C1 ZINC001035565659 784744900 /nfs/dbraw/zinc/74/49/00/784744900.db2.gz MWMCZLTWXXPZIY-MRXNPFEDSA-N 1 2 341.411 2.348 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnoc2-c2ccccc2)C1 ZINC001035565659 784744907 /nfs/dbraw/zinc/74/49/07/784744907.db2.gz MWMCZLTWXXPZIY-MRXNPFEDSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2csc3c2CC[C@H](C)C3)C1 ZINC001035598416 784754167 /nfs/dbraw/zinc/75/41/67/784754167.db2.gz VGJKDCXJJPVRFC-KBPBESRZSA-N 1 2 334.485 2.490 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2csc3c2CC[C@H](C)C3)C1 ZINC001035598416 784754173 /nfs/dbraw/zinc/75/41/73/784754173.db2.gz VGJKDCXJJPVRFC-KBPBESRZSA-N 1 2 334.485 2.490 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(OCC)c(OC)c2)C1 ZINC001035599095 784755826 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EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC001035589683 784800313 /nfs/dbraw/zinc/80/03/13/784800313.db2.gz JUWQOMPTDWHUHW-HNNXBMFYSA-N 1 2 341.238 2.447 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC001035589683 784800324 /nfs/dbraw/zinc/80/03/24/784800324.db2.gz JUWQOMPTDWHUHW-HNNXBMFYSA-N 1 2 341.238 2.447 20 30 EEEDLO Cc1nc(C[NH+]2CC3(C2)CCN(C(=O)C#CC2CC2)CC3)c(C)o1 ZINC001035702374 784981873 /nfs/dbraw/zinc/98/18/73/784981873.db2.gz RTRFIRBFRQRNNP-UHFFFAOYSA-N 1 2 327.428 2.129 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc3n(n1)CCC3)CC2 ZINC001035722553 785019585 /nfs/dbraw/zinc/01/95/85/785019585.db2.gz KKLOBKFYKJBCGL-UHFFFAOYSA-N 1 2 334.851 2.120 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCOC[C@H]1C)CC2 ZINC001035788603 785130704 /nfs/dbraw/zinc/13/07/04/785130704.db2.gz FWVRSDWXCSXTJY-UKRRQHHQSA-N 1 2 326.868 2.336 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2[C@@H](CCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000946002025 785279257 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C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccsc2Cl)[C@H](O)C1 ZINC001090625980 787405452 /nfs/dbraw/zinc/40/54/52/787405452.db2.gz ZAQDRXCKMFJXSZ-WDEREUQCSA-N 1 2 335.256 2.319 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H](C)OCC)CC2(CCOCC2)C1 ZINC001099565908 787408789 /nfs/dbraw/zinc/40/87/89/787408789.db2.gz JYPGXTFNTVQLQE-LSDHHAIUSA-N 1 2 344.883 2.151 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H](C)OCC)CC2(CCOCC2)C1 ZINC001099565908 787408797 /nfs/dbraw/zinc/40/87/97/787408797.db2.gz JYPGXTFNTVQLQE-LSDHHAIUSA-N 1 2 344.883 2.151 20 30 EEEDLO Cc1nsc(NC/C=C\CNC(=O)C[C@H](C)n2cc[nH+]c2)c1C#N ZINC001107545155 787566948 /nfs/dbraw/zinc/56/69/48/787566948.db2.gz BKVONOUAKGPJFQ-MVZIDQBPSA-N 1 2 344.444 2.255 20 30 EEEDLO C[C@@H](CC(=O)N(C)CCCNc1ncc(C#N)cc1F)n1cc[nH+]c1 ZINC001109637132 805812141 /nfs/dbraw/zinc/81/21/41/805812141.db2.gz IHWRSXHJBCRROA-ZDUSSCGKSA-N 1 2 344.394 2.201 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(CCC)CCC)C2 ZINC001109648793 805823839 /nfs/dbraw/zinc/82/38/39/805823839.db2.gz CZGFNZGEHSIPFW-IKGGRYGDSA-N 1 2 335.492 2.227 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(CCC)CCC)C2 ZINC001109648793 805823848 /nfs/dbraw/zinc/82/38/48/805823848.db2.gz CZGFNZGEHSIPFW-IKGGRYGDSA-N 1 2 335.492 2.227 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3cnccc3c2)[C@H](O)C1 ZINC001090710336 787881960 /nfs/dbraw/zinc/88/19/60/787881960.db2.gz TZQYQGOICKMRDG-DLBZAZTESA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3cnccc3c2)[C@H](O)C1 ZINC001090710336 787881968 /nfs/dbraw/zinc/88/19/68/787881968.db2.gz TZQYQGOICKMRDG-DLBZAZTESA-N 1 2 345.830 2.152 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001062364352 787970027 /nfs/dbraw/zinc/97/00/27/787970027.db2.gz QKPVQICULFLUCM-OAHLLOKOSA-N 1 2 332.448 2.052 20 30 EEEDLO O=C(CC[C@H]1CCOC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032345804 788084352 /nfs/dbraw/zinc/08/43/52/788084352.db2.gz KPFWKFADNAINDD-UFYCRDLUSA-N 1 2 338.451 2.140 20 30 EEEDLO O=C(CC[C@H]1CCOC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032345804 788084361 /nfs/dbraw/zinc/08/43/61/788084361.db2.gz KPFWKFADNAINDD-UFYCRDLUSA-N 1 2 338.451 2.140 20 30 EEEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C(C)C ZINC001109677466 805859079 /nfs/dbraw/zinc/85/90/79/805859079.db2.gz VYZJOSJTKIZRLG-XWSJACJDSA-N 1 2 341.455 2.451 20 30 EEEDLO CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C(C)C ZINC001109677466 805859090 /nfs/dbraw/zinc/85/90/90/805859090.db2.gz VYZJOSJTKIZRLG-XWSJACJDSA-N 1 2 341.455 2.451 20 30 EEEDLO C[C@H](C#N)C(=O)NC[C@@]1(C)C[N@H+](CCc2ccccc2Cl)CCO1 ZINC001107820976 788603960 /nfs/dbraw/zinc/60/39/60/788603960.db2.gz HFDIYNBFXHYWSK-KDOFPFPSSA-N 1 2 349.862 2.249 20 30 EEEDLO C[C@H](C#N)C(=O)NC[C@@]1(C)C[N@@H+](CCc2ccccc2Cl)CCO1 ZINC001107820976 788603963 /nfs/dbraw/zinc/60/39/63/788603963.db2.gz HFDIYNBFXHYWSK-KDOFPFPSSA-N 1 2 349.862 2.249 20 30 EEEDLO CC(C)(C)OC(=O)C(=O)N1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000844340970 789012308 /nfs/dbraw/zinc/01/23/08/789012308.db2.gz KYOOZCDLYCYEIK-UHFFFAOYSA-N 1 2 349.475 2.336 20 30 EEEDLO C#CCCCCC(=O)NC[C@@]1(C)C[N@H+](CCc2ccns2)CCO1 ZINC001107883346 789049880 /nfs/dbraw/zinc/04/98/80/789049880.db2.gz RADZRQTYZHHHNN-SFHVURJKSA-N 1 2 349.500 2.086 20 30 EEEDLO C#CCCCCC(=O)NC[C@@]1(C)C[N@@H+](CCc2ccns2)CCO1 ZINC001107883346 789049892 /nfs/dbraw/zinc/04/98/92/789049892.db2.gz RADZRQTYZHHHNN-SFHVURJKSA-N 1 2 349.500 2.086 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C2CC[NH+](Cc3nccs3)CC2)c1 ZINC001005969232 789052130 /nfs/dbraw/zinc/05/21/30/789052130.db2.gz YFCLHNBICBRXBE-UHFFFAOYSA-N 1 2 340.452 2.256 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@](C)(C=C)CCOC)CC2)C1 ZINC001105717058 789201198 /nfs/dbraw/zinc/20/11/98/789201198.db2.gz MHICMFDKQJRWII-IBGZPJMESA-N 1 2 336.476 2.093 20 30 EEEDLO C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001107945205 789670355 /nfs/dbraw/zinc/67/03/55/789670355.db2.gz AZELZRSODGUPIC-HNAYVOBHSA-N 1 2 346.475 2.003 20 30 EEEDLO C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001107945205 789670358 /nfs/dbraw/zinc/67/03/58/789670358.db2.gz AZELZRSODGUPIC-HNAYVOBHSA-N 1 2 346.475 2.003 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H](CCNC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001060328603 790117678 /nfs/dbraw/zinc/11/76/78/790117678.db2.gz GPSVTOHRUOQRSK-OAHLLOKOSA-N 1 2 344.459 2.053 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060864083 790158467 /nfs/dbraw/zinc/15/84/67/790158467.db2.gz ASBAAKCRCINAKB-QKPAOTATSA-N 1 2 346.475 2.202 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)O1 ZINC001088870227 791174172 /nfs/dbraw/zinc/17/41/72/791174172.db2.gz ZWAIOSYHHNSBTP-COCCGSRQSA-N 1 2 345.418 2.344 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)O1 ZINC001088870227 791174177 /nfs/dbraw/zinc/17/41/77/791174177.db2.gz ZWAIOSYHHNSBTP-COCCGSRQSA-N 1 2 345.418 2.344 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106067250 791283886 /nfs/dbraw/zinc/28/38/86/791283886.db2.gz SSJJOBRXNSLVLM-ZFWWWQNUSA-N 1 2 332.448 2.154 20 30 EEEDLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1Nc1cccc(F)c1C#N ZINC001063759902 791628788 /nfs/dbraw/zinc/62/87/88/791628788.db2.gz DCTPCYSLUHIBLJ-WFASDCNBSA-N 1 2 341.390 2.312 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2C(F)F)[C@H]1C ZINC001088973075 791787197 /nfs/dbraw/zinc/78/71/97/791787197.db2.gz UOEKQHUSXAKWKI-KOLCDFICSA-N 1 2 332.782 2.303 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2C(F)F)[C@H]1C ZINC001088973075 791787201 /nfs/dbraw/zinc/78/72/01/791787201.db2.gz UOEKQHUSXAKWKI-KOLCDFICSA-N 1 2 332.782 2.303 20 30 EEEDLO N#Cc1cccnc1NCC[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001063837627 791812002 /nfs/dbraw/zinc/81/20/02/791812002.db2.gz BSENJFHDKSJUCG-HNNXBMFYSA-N 1 2 338.415 2.102 20 30 EEEDLO COC(=O)c1cccc(OCCO[NH+]=C(N)Cc2ccccc2)c1 ZINC000063455830 791854851 /nfs/dbraw/zinc/85/48/51/791854851.db2.gz ZSNBBFJIERJNHO-UHFFFAOYSA-N 1 2 328.368 2.384 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC1(NC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001063895464 791898895 /nfs/dbraw/zinc/89/88/95/791898895.db2.gz WUQKJNUSVVXQBK-UHFFFAOYSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2csc(COC)n2)[C@H]1C ZINC001089072332 792095734 /nfs/dbraw/zinc/09/57/34/792095734.db2.gz WZELVERSGYNGTG-MNOVXSKESA-N 1 2 329.853 2.235 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2csc(COC)n2)[C@H]1C ZINC001089072332 792095743 /nfs/dbraw/zinc/09/57/43/792095743.db2.gz WZELVERSGYNGTG-MNOVXSKESA-N 1 2 329.853 2.235 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001109882134 806124434 /nfs/dbraw/zinc/12/44/34/806124434.db2.gz PXARLMLGJVAEAE-GOSISDBHSA-N 1 2 334.423 2.316 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001089083887 792163066 /nfs/dbraw/zinc/16/30/66/792163066.db2.gz IVCXYBCPQZEDMJ-WBMJQRKESA-N 1 2 341.390 2.122 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001089083887 792163071 /nfs/dbraw/zinc/16/30/71/792163071.db2.gz IVCXYBCPQZEDMJ-WBMJQRKESA-N 1 2 341.390 2.122 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(CC)o1)C2 ZINC001148147515 792188580 /nfs/dbraw/zinc/18/85/80/792188580.db2.gz VBECUVKYAYYQSD-AWEZNQCLSA-N 1 2 332.448 2.269 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nnc(CC)o1)C2 ZINC001148147515 792188586 /nfs/dbraw/zinc/18/85/86/792188586.db2.gz VBECUVKYAYYQSD-AWEZNQCLSA-N 1 2 332.448 2.269 20 30 EEEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2cn(CC)nn2)C3)CC1 ZINC001148220610 792255239 /nfs/dbraw/zinc/25/52/39/792255239.db2.gz DBSRJORRHLALRU-UHFFFAOYSA-N 1 2 343.475 2.079 20 30 EEEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2cn(CC)nn2)C3)CC1 ZINC001148220610 792255250 /nfs/dbraw/zinc/25/52/50/792255250.db2.gz DBSRJORRHLALRU-UHFFFAOYSA-N 1 2 343.475 2.079 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nnc(C)[nH]1)C2 ZINC001148370800 792398024 /nfs/dbraw/zinc/39/80/24/792398024.db2.gz DLJZPGUQKKMWLX-ZDUSSCGKSA-N 1 2 331.464 2.311 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nnc(C)[nH]1)C2 ZINC001148370800 792398032 /nfs/dbraw/zinc/39/80/32/792398032.db2.gz DLJZPGUQKKMWLX-ZDUSSCGKSA-N 1 2 331.464 2.311 20 30 EEEDLO Cc1nc(NC[C@@H]2CCCC[C@@H]2NC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001064165365 792527395 /nfs/dbraw/zinc/52/73/95/792527395.db2.gz ZLTURDCQBOFDOJ-BBRMVZONSA-N 1 2 338.415 2.386 20 30 EEEDLO Cc1nc(NC[C@H]2CCCC[C@@H]2NC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001064168288 792581375 /nfs/dbraw/zinc/58/13/75/792581375.db2.gz MKGATXFGJROVLQ-CABCVRRESA-N 1 2 338.415 2.386 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CCCCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091917483 793404061 /nfs/dbraw/zinc/40/40/61/793404061.db2.gz IDWCLRXKSZILBT-YJBOKZPZSA-N 1 2 332.448 2.295 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CCCCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091920148 793408915 /nfs/dbraw/zinc/40/89/15/793408915.db2.gz NKUAFYOIJOKTRB-GOEBONIOSA-N 1 2 330.432 2.006 20 30 EEEDLO Cc1cc(N2CC[C@H](NC(=O)CSCC#N)[C@H]2C)nc(C2CC2)[nH+]1 ZINC001091932393 793439345 /nfs/dbraw/zinc/43/93/45/793439345.db2.gz QSZJEVISZPUPEI-OCCSQVGLSA-N 1 2 345.472 2.003 20 30 EEEDLO C=CCCOCC(=O)N1CCCC[C@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001092074532 793538678 /nfs/dbraw/zinc/53/86/78/793538678.db2.gz JFBCBIXNLAUSTB-INIZCTEOSA-N 1 2 332.448 2.195 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1O ZINC001092176302 793640090 /nfs/dbraw/zinc/64/00/90/793640090.db2.gz AGHDJFGJOPXSRN-CABCVRRESA-N 1 2 346.475 2.176 20 30 EEEDLO Cc1cc(NC2CC(CNC(=O)CSCC#N)C2)nc(C2CC2)[nH+]1 ZINC001092208055 793720305 /nfs/dbraw/zinc/72/03/05/793720305.db2.gz SIPRYUPLKWKXFE-UHFFFAOYSA-N 1 2 345.472 2.226 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)nc2)[C@@H](O)C1 ZINC001090322636 793886671 /nfs/dbraw/zinc/88/66/71/793886671.db2.gz KJPWCFPGPBJGRB-HOTGVXAUSA-N 1 2 337.851 2.123 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)nc2)[C@@H](O)C1 ZINC001090322636 793886677 /nfs/dbraw/zinc/88/66/77/793886677.db2.gz KJPWCFPGPBJGRB-HOTGVXAUSA-N 1 2 337.851 2.123 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccoc1C1CC1)c1nccn12 ZINC001092390566 793887708 /nfs/dbraw/zinc/88/77/08/793887708.db2.gz BCTFSXZWZOOUPI-OAHLLOKOSA-N 1 2 338.411 2.425 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1csc(Cl)n1)c1nccn12 ZINC001092405827 793907382 /nfs/dbraw/zinc/90/73/82/793907382.db2.gz MBKIJFUBMNRXKJ-SNVBAGLBSA-N 1 2 349.847 2.065 20 30 EEEDLO C=C1CC(C)(C(=O)NC2C[NH+](CCc3ccc4c(c3)OCCO4)C2)C1 ZINC001030924591 793926696 /nfs/dbraw/zinc/92/66/96/793926696.db2.gz UOOMLTQTHBLGRX-UHFFFAOYSA-N 1 2 342.439 2.157 20 30 EEEDLO C[C@@H](CC(=O)N1CCC[C@H]1CNc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001065024739 794116372 /nfs/dbraw/zinc/11/63/72/794116372.db2.gz PDZJSWWQIIZTDG-HOCLYGCPSA-N 1 2 338.415 2.204 20 30 EEEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001092834223 794395565 /nfs/dbraw/zinc/39/55/65/794395565.db2.gz IABBGBIQLZSRGW-IKGGRYGDSA-N 1 2 326.444 2.431 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Oc1ccccn1)C2 ZINC001109989471 806328551 /nfs/dbraw/zinc/32/85/51/806328551.db2.gz NGDAZMWIJLKRTH-KBXIAJHMSA-N 1 2 335.835 2.323 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Oc1ccccn1)C2 ZINC001109989471 806328563 /nfs/dbraw/zinc/32/85/63/806328563.db2.gz NGDAZMWIJLKRTH-KBXIAJHMSA-N 1 2 335.835 2.323 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(C2CC2)n1 ZINC001092956440 794476706 /nfs/dbraw/zinc/47/67/06/794476706.db2.gz MDQKFTNBHRMHDJ-OAGGEKHMSA-N 1 2 342.443 2.091 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(OC)c(OC)c2)C1 ZINC001016154191 794605489 /nfs/dbraw/zinc/60/54/89/794605489.db2.gz UHOMQKACZPREDZ-AWEZNQCLSA-N 1 2 338.835 2.189 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(OC)c(OC)c2)C1 ZINC001016154191 794605494 /nfs/dbraw/zinc/60/54/94/794605494.db2.gz UHOMQKACZPREDZ-AWEZNQCLSA-N 1 2 338.835 2.189 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)on1 ZINC001079412980 794710508 /nfs/dbraw/zinc/71/05/08/794710508.db2.gz JSFHJIOWFKTRDN-BDJLRTHQSA-N 1 2 342.374 2.244 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)on1 ZINC001079412980 794710512 /nfs/dbraw/zinc/71/05/12/794710512.db2.gz JSFHJIOWFKTRDN-BDJLRTHQSA-N 1 2 342.374 2.244 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC(N(CC)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001079791603 795199082 /nfs/dbraw/zinc/19/90/82/795199082.db2.gz KWHOIYLFHWIYLH-CVEARBPZSA-N 1 2 346.475 2.496 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC(OC2C[NH+](CCOC)C2)CC1 ZINC001093539456 795342669 /nfs/dbraw/zinc/34/26/69/795342669.db2.gz PXCHVLCYNNVROM-UHFFFAOYSA-N 1 2 344.883 2.103 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC3(F)F)CC2)C1 ZINC001093545289 795359623 /nfs/dbraw/zinc/35/96/23/795359623.db2.gz CFCWKRBBYURMBJ-HNNXBMFYSA-N 1 2 328.403 2.300 20 30 EEEDLO C[C@@H](CCNc1ncc(C#N)cc1Cl)NC(=O)CCc1[nH]cc[nH+]1 ZINC001106309660 795383724 /nfs/dbraw/zinc/38/37/24/795383724.db2.gz IRPOGHNSCPAYOK-NSHDSACASA-N 1 2 346.822 2.269 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCO[C@H](CC)C3)CC2)C1 ZINC001093590789 795403796 /nfs/dbraw/zinc/40/37/96/795403796.db2.gz RZFPMQUXKDHIRJ-HZPDHXFCSA-N 1 2 336.476 2.069 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)nc2C2CCC2)C1 ZINC001079987052 795432976 /nfs/dbraw/zinc/43/29/76/795432976.db2.gz VNNNJQZPMCIYDY-IAQYHMDHSA-N 1 2 336.867 2.490 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)nc2C2CCC2)C1 ZINC001079987052 795432979 /nfs/dbraw/zinc/43/29/79/795432979.db2.gz VNNNJQZPMCIYDY-IAQYHMDHSA-N 1 2 336.867 2.490 20 30 EEEDLO Cc1ccc(C#N)c(NCC[C@@H](C)NC(=O)CCCn2cc[nH+]c2)n1 ZINC001106361632 795452620 /nfs/dbraw/zinc/45/26/20/795452620.db2.gz CXDNVMLSIBTFGB-OAHLLOKOSA-N 1 2 340.431 2.245 20 30 EEEDLO Cc1nsc(NC[C@@H](C)NC(=O)c2cccc3[nH+]ccn32)c1C#N ZINC001108008118 795490277 /nfs/dbraw/zinc/49/02/77/795490277.db2.gz KOVVVPHDQCWLFX-SNVBAGLBSA-N 1 2 340.412 2.201 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCc2ccsc2)C1 ZINC001108012039 795518974 /nfs/dbraw/zinc/51/89/74/795518974.db2.gz NJSTWWPYEUDCGJ-GOSISDBHSA-N 1 2 334.485 2.301 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCCc2ccsc2)C1 ZINC001108012039 795518980 /nfs/dbraw/zinc/51/89/80/795518980.db2.gz NJSTWWPYEUDCGJ-GOSISDBHSA-N 1 2 334.485 2.301 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC001080087360 795547726 /nfs/dbraw/zinc/54/77/26/795547726.db2.gz XVLUTDKVKNSONF-BDJLRTHQSA-N 1 2 347.846 2.374 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC001080087360 795547733 /nfs/dbraw/zinc/54/77/33/795547733.db2.gz XVLUTDKVKNSONF-BDJLRTHQSA-N 1 2 347.846 2.374 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H](C)CCNc1[nH+]cnc2c1cnn2C ZINC001106455662 795622509 /nfs/dbraw/zinc/62/25/09/795622509.db2.gz DPTCGUQZUKENSY-LBPRGKRZSA-N 1 2 330.436 2.272 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001080342204 795902971 /nfs/dbraw/zinc/90/29/71/795902971.db2.gz LTCBGPCOXQZGGU-MRVWCRGKSA-N 1 2 349.853 2.153 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001080342204 795902978 /nfs/dbraw/zinc/90/29/78/795902978.db2.gz LTCBGPCOXQZGGU-MRVWCRGKSA-N 1 2 349.853 2.153 20 30 EEEDLO C=CC(C)(C)C(=O)NCCNc1[nH+]c(C)nc(-n2cccn2)c1C ZINC001094060598 795906131 /nfs/dbraw/zinc/90/61/31/795906131.db2.gz KQCWKQLVUOOKSR-UHFFFAOYSA-N 1 2 328.420 2.019 20 30 EEEDLO C[C@@H](CCNc1ccc(C#N)nc1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001106592861 795906093 /nfs/dbraw/zinc/90/60/93/795906093.db2.gz JZYGDLUIHVOYQQ-KBPBESRZSA-N 1 2 326.404 2.108 20 30 EEEDLO C=C1CC(C)(C(=O)N(CC)C2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001080498599 796059368 /nfs/dbraw/zinc/05/93/68/796059368.db2.gz LRVDKTCDMVSVBT-UHFFFAOYSA-N 1 2 344.459 2.103 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC=C(CNC(=O)c2ncccc2O)CC1 ZINC001000609106 796070838 /nfs/dbraw/zinc/07/08/38/796070838.db2.gz LHFALBMVPQTCST-UHFFFAOYSA-N 1 2 348.406 2.221 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC=C(CNC(=O)c2ncccc2O)CC1 ZINC001000609106 796070846 /nfs/dbraw/zinc/07/08/46/796070846.db2.gz LHFALBMVPQTCST-UHFFFAOYSA-N 1 2 348.406 2.221 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3ccsc3C)nn2)C1 ZINC001094288870 796090877 /nfs/dbraw/zinc/09/08/77/796090877.db2.gz XVPLLXIJTAPZGO-UHFFFAOYSA-N 1 2 331.445 2.011 20 30 EEEDLO C=C1CC(C)(C(=O)N(CC)C2CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001080500343 796117738 /nfs/dbraw/zinc/11/77/38/796117738.db2.gz NIVKDCOYDHNZFR-UHFFFAOYSA-N 1 2 344.459 2.079 20 30 EEEDLO C=CCCC(=O)N1CCC2(CC1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001080638112 796275627 /nfs/dbraw/zinc/27/56/27/796275627.db2.gz SRHVSZXIQJQGKB-UHFFFAOYSA-N 1 2 344.459 2.150 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2ncc[nH]2)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000993313814 796330534 /nfs/dbraw/zinc/33/05/34/796330534.db2.gz OISBYMUKLVYJNM-BLLLJJGKSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2ncc[nH]2)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000993313814 796330536 /nfs/dbraw/zinc/33/05/36/796330536.db2.gz OISBYMUKLVYJNM-BLLLJJGKSA-N 1 2 341.390 2.203 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(C)s3)C[C@H]2C)cn1 ZINC001080809388 796402922 /nfs/dbraw/zinc/40/29/22/796402922.db2.gz PBVIQEUVZMSPEI-MLGOLLRUSA-N 1 2 340.452 2.078 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ncc(C)s3)C[C@H]2C)cn1 ZINC001080809388 796402926 /nfs/dbraw/zinc/40/29/26/796402926.db2.gz PBVIQEUVZMSPEI-MLGOLLRUSA-N 1 2 340.452 2.078 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc3n[nH]nc32)[C@@H]1C ZINC000993373125 796487877 /nfs/dbraw/zinc/48/78/77/796487877.db2.gz FJZBRQAHVQPPAY-AAEUAGOBSA-N 1 2 333.823 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc3n[nH]nc32)[C@@H]1C ZINC000993373125 796487879 /nfs/dbraw/zinc/48/78/79/796487879.db2.gz FJZBRQAHVQPPAY-AAEUAGOBSA-N 1 2 333.823 2.293 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC001081002914 796531892 /nfs/dbraw/zinc/53/18/92/796531892.db2.gz XLMRGAJNGFXOHH-NOZJJQNGSA-N 1 2 335.791 2.336 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC001081002914 796531895 /nfs/dbraw/zinc/53/18/95/796531895.db2.gz XLMRGAJNGFXOHH-NOZJJQNGSA-N 1 2 335.791 2.336 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001094793677 796585501 /nfs/dbraw/zinc/58/55/01/796585501.db2.gz OOOLELBRSSBICP-CABCVRRESA-N 1 2 330.432 2.172 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)C3CC(C(C)(C)C)C3)CC2=O)C1 ZINC001094818456 796597821 /nfs/dbraw/zinc/59/78/21/796597821.db2.gz BYHOOLZMFCSTPL-GPANFISMSA-N 1 2 347.503 2.036 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CCCC(C)(C)C3)CC2=O)C1 ZINC001094819344 796600817 /nfs/dbraw/zinc/60/08/17/796600817.db2.gz NMZDPGQWKCJIKF-JKSUJKDBSA-N 1 2 347.503 2.180 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCCC(C)(C)C3)CC2=O)C1 ZINC001094819343 796600864 /nfs/dbraw/zinc/60/08/64/796600864.db2.gz NMZDPGQWKCJIKF-HZPDHXFCSA-N 1 2 347.503 2.180 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)C3CCC(C)(C)CC3)CC2=O)C1 ZINC001094819446 796630083 /nfs/dbraw/zinc/63/00/83/796630083.db2.gz PRCSYDPGAFYRTC-INIZCTEOSA-N 1 2 347.503 2.180 20 30 EEEDLO C=CCCC(=O)NCc1ccc([C@@H](C)NC(=O)Cn2cc[nH+]c2)cc1 ZINC001060581861 796648056 /nfs/dbraw/zinc/64/80/56/796648056.db2.gz VRSRFCFVDVVHAP-OAHLLOKOSA-N 1 2 340.427 2.343 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@H](N2CC[NH2+]C[C@@H]2C#N)CC12CCC2 ZINC001171848891 796771322 /nfs/dbraw/zinc/77/13/22/796771322.db2.gz XTFSFLORXFWQLD-GJZGRUSLSA-N 1 2 334.464 2.106 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc(C(N)=O)c2)[C@H]1C ZINC000993521634 796779099 /nfs/dbraw/zinc/77/90/99/796779099.db2.gz OJERBOYDSIOLLL-DOMZBBRYSA-N 1 2 335.835 2.121 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(C(N)=O)c2)[C@H]1C ZINC000993521634 796779101 /nfs/dbraw/zinc/77/91/01/796779101.db2.gz OJERBOYDSIOLLL-DOMZBBRYSA-N 1 2 335.835 2.121 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cnco2)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000993640495 796863791 /nfs/dbraw/zinc/86/37/91/796863791.db2.gz HFKKNVUXUZUPGY-MLGOLLRUSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cnco2)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000993640495 796863797 /nfs/dbraw/zinc/86/37/97/796863797.db2.gz HFKKNVUXUZUPGY-MLGOLLRUSA-N 1 2 342.374 2.468 20 30 EEEDLO Cc1nsc(NCCCNC(=O)c2cc3c[nH+]ccc3[nH]2)c1C#N ZINC001094872926 796877711 /nfs/dbraw/zinc/87/77/11/796877711.db2.gz HKCLWGBOPFPXRZ-UHFFFAOYSA-N 1 2 340.412 2.432 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2csnn2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993630355 796885447 /nfs/dbraw/zinc/88/54/47/796885447.db2.gz GUSTYAWYBRDKPL-GOEBONIOSA-N 1 2 340.452 2.173 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2csnn2)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993630355 796885451 /nfs/dbraw/zinc/88/54/51/796885451.db2.gz GUSTYAWYBRDKPL-GOEBONIOSA-N 1 2 340.452 2.173 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)ncn3C)[C@H]1C ZINC000993687027 796914988 /nfs/dbraw/zinc/91/49/88/796914988.db2.gz YEZCOSAOEIWPCU-TZMCWYRMSA-N 1 2 347.850 2.304 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)ncn3C)[C@H]1C ZINC000993687027 796914991 /nfs/dbraw/zinc/91/49/91/796914991.db2.gz YEZCOSAOEIWPCU-TZMCWYRMSA-N 1 2 347.850 2.304 20 30 EEEDLO C#Cc1cncc(C(=O)NC2CCC(Nc3cc[nH+]c(C)n3)CC2)c1 ZINC001060621567 797079194 /nfs/dbraw/zinc/07/91/94/797079194.db2.gz PVXBRMHUHCHOMV-UHFFFAOYSA-N 1 2 335.411 2.314 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1ccccc1OC ZINC001032818279 797108805 /nfs/dbraw/zinc/10/88/05/797108805.db2.gz GIONUEGCJUKNBG-HOTGVXAUSA-N 1 2 326.440 2.281 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1ccccc1OC ZINC001032818279 797108812 /nfs/dbraw/zinc/10/88/12/797108812.db2.gz GIONUEGCJUKNBG-HOTGVXAUSA-N 1 2 326.440 2.281 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001082042044 797114055 /nfs/dbraw/zinc/11/40/55/797114055.db2.gz WXYILAAIGCWBLY-AWEZNQCLSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3nncn3c2)[C@@H]1C ZINC000993980944 797198855 /nfs/dbraw/zinc/19/88/55/797198855.db2.gz CMJSLMWBBGBWAK-JSGCOSHPSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3nncn3c2)[C@@H]1C ZINC000993980944 797198860 /nfs/dbraw/zinc/19/88/60/797198860.db2.gz CMJSLMWBBGBWAK-JSGCOSHPSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001082178400 797265727 /nfs/dbraw/zinc/26/57/27/797265727.db2.gz CUIJYUQEUVALCA-HOTGVXAUSA-N 1 2 346.475 2.062 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001082197796 797289289 /nfs/dbraw/zinc/28/92/89/797289289.db2.gz HDXNIBIXLVFTRO-ZBFHGGJFSA-N 1 2 346.475 2.360 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2nccn3cc(C)nc23)[C@H]1C ZINC000994186846 797370467 /nfs/dbraw/zinc/37/04/67/797370467.db2.gz GMOUNWTUJXYLTE-KGLIPLIRSA-N 1 2 347.850 2.373 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2nccn3cc(C)nc23)[C@H]1C ZINC000994186846 797370475 /nfs/dbraw/zinc/37/04/75/797370475.db2.gz GMOUNWTUJXYLTE-KGLIPLIRSA-N 1 2 347.850 2.373 20 30 EEEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1)[C@@H]1CCCO1 ZINC001095149314 797429513 /nfs/dbraw/zinc/42/95/13/797429513.db2.gz RKJCGTIDOBACKQ-XWSJACJDSA-N 1 2 342.414 2.078 20 30 EEEDLO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1)[C@@H]1CCCO1 ZINC001095149314 797429515 /nfs/dbraw/zinc/42/95/15/797429515.db2.gz RKJCGTIDOBACKQ-XWSJACJDSA-N 1 2 342.414 2.078 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccon2)C3)c(F)c1 ZINC001095211636 797522991 /nfs/dbraw/zinc/52/29/91/797522991.db2.gz FEVYNEWQBHCLQZ-COXVUDFISA-N 1 2 340.358 2.221 20 30 EEEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccon2)C3)c(F)c1 ZINC001095211636 797522995 /nfs/dbraw/zinc/52/29/95/797522995.db2.gz FEVYNEWQBHCLQZ-COXVUDFISA-N 1 2 340.358 2.221 20 30 EEEDLO Cc1cc(NC2CCN(C(=O)CSCC#N)CC2)nc(C2CC2)[nH+]1 ZINC001095215122 797527830 /nfs/dbraw/zinc/52/78/30/797527830.db2.gz TZGCMQFPJQOMAM-UHFFFAOYSA-N 1 2 345.472 2.322 20 30 EEEDLO C=C(C)CCC(=O)N1CCC(Nc2ncnc3c2C[N@H+](C)CC3)CC1 ZINC001095239355 797574091 /nfs/dbraw/zinc/57/40/91/797574091.db2.gz KFYVHYMAGIFQGP-UHFFFAOYSA-N 1 2 343.475 2.224 20 30 EEEDLO C=C(C)CCC(=O)N1CCC(Nc2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC001095239355 797574094 /nfs/dbraw/zinc/57/40/94/797574094.db2.gz KFYVHYMAGIFQGP-UHFFFAOYSA-N 1 2 343.475 2.224 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C(N)=O)cc2)[C@H]1C ZINC000994390852 797927522 /nfs/dbraw/zinc/92/75/22/797927522.db2.gz QYNJHLNLTBQJSA-IUODEOHRSA-N 1 2 335.835 2.121 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(N)=O)cc2)[C@H]1C ZINC000994390852 797927529 /nfs/dbraw/zinc/92/75/29/797927529.db2.gz QYNJHLNLTBQJSA-IUODEOHRSA-N 1 2 335.835 2.121 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)c(F)c1 ZINC001084334284 798155107 /nfs/dbraw/zinc/15/51/07/798155107.db2.gz XXIKIUSDFHHWTP-IEBWSBKVSA-N 1 2 337.398 2.143 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)[C@@H]3C2)c(F)c1 ZINC001084334284 798155110 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C=C(C)C[C@H](C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)CCC)CC2)C1 ZINC001065711320 799408031 /nfs/dbraw/zinc/40/80/31/799408031.db2.gz LFAIEHQAQNSSLB-IRXDYDNUSA-N 1 2 335.492 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@](C)(C=C)CC)C2)CC1 ZINC001065713685 799415705 /nfs/dbraw/zinc/41/57/05/799415705.db2.gz XFWVVHNIFCFYKO-PXNSSMCTSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([C@@H](C)Nc2[nH+]cnc3c2cnn3C)C1 ZINC001065756332 799467162 /nfs/dbraw/zinc/46/71/62/799467162.db2.gz CNSBOBISCBVEPF-CHWSQXEVSA-N 1 2 342.447 2.224 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCc1cnn2c1C[N@H+](CCCOCC)CC2 ZINC001128453454 799571387 /nfs/dbraw/zinc/57/13/87/799571387.db2.gz HKUJGBNIJJDFCD-INIZCTEOSA-N 1 2 348.491 2.344 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCc1cnn2c1C[N@@H+](CCCOCC)CC2 ZINC001128453454 799571393 /nfs/dbraw/zinc/57/13/93/799571393.db2.gz HKUJGBNIJJDFCD-INIZCTEOSA-N 1 2 348.491 2.344 20 30 EEEDLO C#Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)c3nnc(C)o3)CC2)cc1 ZINC001003413308 799623012 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800824120 /nfs/dbraw/zinc/82/41/20/800824120.db2.gz SRRFBGYTAIRLAU-ZIAGYGMSSA-N 1 2 337.345 2.385 20 30 EEEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC001033021549 800855523 /nfs/dbraw/zinc/85/55/23/800855523.db2.gz IGXHWYAKZUMWTL-NSHDSACASA-N 1 2 327.215 2.352 20 30 EEEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001033021549 800855528 /nfs/dbraw/zinc/85/55/28/800855528.db2.gz IGXHWYAKZUMWTL-NSHDSACASA-N 1 2 327.215 2.352 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnc(C)o1 ZINC001085641819 800956535 /nfs/dbraw/zinc/95/65/35/800956535.db2.gz XIWHVDDQFPVZBO-HNNXBMFYSA-N 1 2 328.416 2.317 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnc(C)o1 ZINC001085641819 800956538 /nfs/dbraw/zinc/95/65/38/800956538.db2.gz XIWHVDDQFPVZBO-HNNXBMFYSA-N 1 2 328.416 2.317 20 30 EEEDLO O=C(C(F)C(F)(F)F)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001182719812 801305023 /nfs/dbraw/zinc/30/50/23/801305023.db2.gz WIVSJMCTXLAZFB-KGLIPLIRSA-N 1 2 328.309 2.129 20 30 EEEDLO O=C([C@H](F)C(F)(F)F)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001182719812 801305032 /nfs/dbraw/zinc/30/50/32/801305032.db2.gz WIVSJMCTXLAZFB-KGLIPLIRSA-N 1 2 328.309 2.129 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C2CCC(NC(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001004217804 801349621 /nfs/dbraw/zinc/34/96/21/801349621.db2.gz WNVOFLFQFAQLAP-UHFFFAOYSA-N 1 2 344.459 2.125 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001108211296 801441308 /nfs/dbraw/zinc/44/13/08/801441308.db2.gz OMPUDFNPMPMBAG-OXJNMPFZSA-N 1 2 346.446 2.235 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001108211296 801441317 /nfs/dbraw/zinc/44/13/17/801441317.db2.gz OMPUDFNPMPMBAG-OXJNMPFZSA-N 1 2 346.446 2.235 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2nn(C)c3ccccc23)C1 ZINC001033082920 801507788 /nfs/dbraw/zinc/50/77/88/801507788.db2.gz UXYHLINQTAPASG-AWEZNQCLSA-N 1 2 346.862 2.401 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2nn(C)c3ccccc23)C1 ZINC001033082920 801507793 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C=CC(C)(C)CC(=O)NC[C@@H](C)N(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001113728056 809672763 /nfs/dbraw/zinc/67/27/63/809672763.db2.gz LQHGVMCGTDFMOL-CQSZACIVSA-N 1 2 345.491 2.008 20 30 EEEDLO Cc1ccc(C#N)c(N(C)[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC001113902930 810040264 /nfs/dbraw/zinc/04/02/64/810040264.db2.gz QYDXMLIIWJQKEQ-GJZGRUSLSA-N 1 2 340.431 2.050 20 30 EEEDLO N#Cc1cccnc1NCC1(NC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001114166103 810514620 /nfs/dbraw/zinc/51/46/20/810514620.db2.gz SWAOTPWTKTXXAG-UHFFFAOYSA-N 1 2 338.415 2.081 20 30 EEEDLO Cc1nnc([C@@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)(C)C)s1 ZINC001114255495 810691048 /nfs/dbraw/zinc/69/10/48/810691048.db2.gz JYMAXEBWTXNTMK-PBOSXPJTSA-N 1 2 332.473 2.003 20 30 EEEDLO Cc1nnc([C@@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)(C)C)s1 ZINC001114255495 810691052 /nfs/dbraw/zinc/69/10/52/810691052.db2.gz JYMAXEBWTXNTMK-PBOSXPJTSA-N 1 2 332.473 2.003 20 30 EEEDLO CCCC[C@@H](CNc1ccc(C#N)nc1)NC(=O)Cc1[nH]c[nH+]c1C ZINC001114269840 810719588 /nfs/dbraw/zinc/71/95/88/810719588.db2.gz QMNOAEBMTNPTIP-INIZCTEOSA-N 1 2 340.431 2.314 20 30 EEEDLO C#CCCCS(=O)(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000805021790 811108395 /nfs/dbraw/zinc/10/83/95/811108395.db2.gz AAJDCIPZYXCGPV-UHFFFAOYSA-N 1 2 349.500 2.363 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCCC2CCCC2)C[C@H]1NCC#N ZINC001131130349 812419999 /nfs/dbraw/zinc/41/99/99/812419999.db2.gz HSJNNHJUOSSLPM-IAGOWNOFSA-N 1 2 343.475 2.188 20 30 EEEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCC[C@@H](C)CCC)CC1 ZINC001131361805 812737753 /nfs/dbraw/zinc/73/77/53/812737753.db2.gz DTHKKVSNRHOERY-KRWDZBQOSA-N 1 2 337.508 2.429 20 30 EEEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCC[C@@H](C)CCC)CC1 ZINC001131361805 812737758 /nfs/dbraw/zinc/73/77/58/812737758.db2.gz DTHKKVSNRHOERY-KRWDZBQOSA-N 1 2 337.508 2.429 20 30 EEEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C(CCC)CCC)CC1 ZINC001131376699 812754684 /nfs/dbraw/zinc/75/46/84/812754684.db2.gz GAQRVOKCELCAIP-UHFFFAOYSA-N 1 2 337.508 2.429 20 30 EEEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C(CCC)CCC)CC1 ZINC001131376699 812754686 /nfs/dbraw/zinc/75/46/86/812754686.db2.gz GAQRVOKCELCAIP-UHFFFAOYSA-N 1 2 337.508 2.429 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CCCCOC)C[C@@H](C)O2 ZINC001131642462 813064255 /nfs/dbraw/zinc/06/42/55/813064255.db2.gz QKRDWVBTAFVBFD-WBVHZDCISA-N 1 2 344.883 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCCCOC)C[C@@H](C)O2 ZINC001131642462 813064264 /nfs/dbraw/zinc/06/42/64/813064264.db2.gz QKRDWVBTAFVBFD-WBVHZDCISA-N 1 2 344.883 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)COC)C[C@@H](C)O2 ZINC001131673569 813125443 /nfs/dbraw/zinc/12/54/43/813125443.db2.gz OZMDTSOLQIRDHC-RHSMWYFYSA-N 1 2 344.883 2.103 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)COC)C[C@@H](C)O2 ZINC001131673569 813125445 /nfs/dbraw/zinc/12/54/45/813125445.db2.gz OZMDTSOLQIRDHC-RHSMWYFYSA-N 1 2 344.883 2.103 20 30 EEEDLO C[C@H](C#N)C(=O)N(C)C1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001436661140 1088084696 /nfs/dbraw/zinc/08/46/96/1088084696.db2.gz CCRZGFDHGQLFBN-SNVBAGLBSA-N 1 2 326.853 2.379 20 30 EEEDLO CCCN(C(=O)[C@@H](C)C#N)C1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC001436759665 1088271665 /nfs/dbraw/zinc/27/16/65/1088271665.db2.gz OPSKZODRUDMQQK-GJZGRUSLSA-N 1 2 329.448 2.400 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(Cn2cccn2)o1 ZINC001439328230 1092010746 /nfs/dbraw/zinc/01/07/46/1092010746.db2.gz QXDIEMSNAVSOOB-ZDUSSCGKSA-N 1 2 336.823 2.327 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(Cn2cccn2)o1 ZINC001439328230 1092010754 /nfs/dbraw/zinc/01/07/54/1092010754.db2.gz QXDIEMSNAVSOOB-ZDUSSCGKSA-N 1 2 336.823 2.327 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)CC[C@H]2CCCCO2)C1 ZINC001443617665 1098113540 /nfs/dbraw/zinc/11/35/40/1098113540.db2.gz DWDANAVWFWZRSF-LJQANCHMSA-N 1 2 341.455 2.456 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)COCc2cccc(OC)c2)C1 ZINC001443709521 1098213672 /nfs/dbraw/zinc/21/36/72/1098213672.db2.gz FYUIAQVQPKPJKK-HNNXBMFYSA-N 1 2 338.835 2.155 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)COCc2cccc(OC)c2)C1 ZINC001443709521 1098213677 /nfs/dbraw/zinc/21/36/77/1098213677.db2.gz FYUIAQVQPKPJKK-HNNXBMFYSA-N 1 2 338.835 2.155 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2(NC(C)=O)CCCCC2)C1 ZINC001443808039 1098300069 /nfs/dbraw/zinc/30/00/69/1098300069.db2.gz IIIWBHRKSYAJQE-HNNXBMFYSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2(NC(C)=O)CCCCC2)C1 ZINC001443808039 1098300076 /nfs/dbraw/zinc/30/00/76/1098300076.db2.gz IIIWBHRKSYAJQE-HNNXBMFYSA-N 1 2 341.883 2.111 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001494754738 1104335708 /nfs/dbraw/zinc/33/57/08/1104335708.db2.gz OTVBMSHKTYVRPH-SWLSCSKDSA-N 1 2 338.810 2.208 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001494754738 1104335719 /nfs/dbraw/zinc/33/57/19/1104335719.db2.gz OTVBMSHKTYVRPH-SWLSCSKDSA-N 1 2 338.810 2.208 20 30 EEEDLO Cc1cc(C)c(C(=O)N2CC[C@](C)(CNC(=O)[C@@H](C)C#N)C2)c(C)[nH+]1 ZINC001453964628 1106621032 /nfs/dbraw/zinc/62/10/32/1106621032.db2.gz SDXTYCOKEFTKPN-ORAYPTAESA-N 1 2 342.443 2.135 20 30 EEEDLO C[C@H](C#N)C(=O)NCC1([NH2+]Cc2noc(-c3ccccc3)n2)CCC1 ZINC001501928786 1113527626 /nfs/dbraw/zinc/52/76/26/1113527626.db2.gz YVZOBJHLISDWKU-CYBMUJFWSA-N 1 2 339.399 2.025 20 30 EEEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1CCc2cccnc21 ZINC000329260708 539770437 /nfs/dbraw/zinc/77/04/37/539770437.db2.gz DUJMNTQUZLSDBA-MRXNPFEDSA-N 1 2 338.411 2.500 20 30 EEEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)N2CCc3ccccc32)cc1 ZINC000113249166 237165646 /nfs/dbraw/zinc/16/56/46/237165646.db2.gz YMGJVJIXPGBEET-ZDUSSCGKSA-N 1 2 339.395 2.310 20 30 EEEDLO COC(=O)C1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000078668004 202398667 /nfs/dbraw/zinc/39/86/67/202398667.db2.gz DTOBELQSCYUTHS-UHFFFAOYSA-N 1 2 335.429 2.060 20 30 EEEDLO C=CCC[C@H](C(=O)NC[C@H](C)[NH+]1CCN(C)CC1)c1ccccc1 ZINC000189503316 201048607 /nfs/dbraw/zinc/04/86/07/201048607.db2.gz BBHIMYLKDIRXNW-HKUYNNGSSA-N 1 2 329.488 2.489 20 30 EEEDLO C=CCN(CCc1ccco1)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000272369608 201248438 /nfs/dbraw/zinc/24/84/38/201248438.db2.gz RRGKKEUPQMXLMK-HZPDHXFCSA-N 1 2 335.448 2.129 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)OCC ZINC000270159449 201236368 /nfs/dbraw/zinc/23/63/68/201236368.db2.gz YKNHONIIHNBIQF-RBUKOAKNSA-N 1 2 346.471 2.375 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)OCC ZINC000270159449 201236372 /nfs/dbraw/zinc/23/63/72/201236372.db2.gz YKNHONIIHNBIQF-RBUKOAKNSA-N 1 2 346.471 2.375 20 30 EEEDLO C=CCS(=O)(=O)CCNc1nc(-c2cccnc2)[nH+]c(C)c1C ZINC000272795746 201258479 /nfs/dbraw/zinc/25/84/79/201258479.db2.gz CTRGGNKDEGBGDM-UHFFFAOYSA-N 1 2 332.429 2.168 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000275506890 201283567 /nfs/dbraw/zinc/28/35/67/201283567.db2.gz CMLKYBZDQZCDMK-AZUAARDMSA-N 1 2 346.471 2.232 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000275506890 201283568 /nfs/dbraw/zinc/28/35/68/201283568.db2.gz CMLKYBZDQZCDMK-AZUAARDMSA-N 1 2 346.471 2.232 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000275643815 201285088 /nfs/dbraw/zinc/28/50/88/201285088.db2.gz AZGLCOPAKPWSPP-FQEVSTJZSA-N 1 2 341.455 2.431 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cccc(Br)c2F)CC1 ZINC000277439848 201302352 /nfs/dbraw/zinc/30/23/52/201302352.db2.gz DOYXNIZUZFUQPN-UHFFFAOYSA-N 1 2 339.208 2.369 20 30 EEEDLO C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000279478572 201317583 /nfs/dbraw/zinc/31/75/83/201317583.db2.gz IAAILEFTOKMVGZ-GOSISDBHSA-N 1 2 344.503 2.410 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455701542 244062453 /nfs/dbraw/zinc/06/24/53/244062453.db2.gz JMPVZKXVPODEEF-GFCCVEGCSA-N 1 2 336.823 2.248 20 30 EEEDLO C=CCCOCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000155437348 205011742 /nfs/dbraw/zinc/01/17/42/205011742.db2.gz JPZMJIIIOKHTBC-QGZVFWFLSA-N 1 2 334.485 2.485 20 30 EEEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)/C=C\c3ccc(C#N)cc3)CC2)S1 ZINC000491911393 246209083 /nfs/dbraw/zinc/20/90/83/246209083.db2.gz GVRFQTQJBOAQGC-AFNCTOJWSA-N 1 2 340.452 2.207 20 30 EEEDLO N#Cc1cccc(NCc2cccc(OCC[NH+]3CCOCC3)c2)n1 ZINC000266459678 248311083 /nfs/dbraw/zinc/31/10/83/248311083.db2.gz YOAIWWOQNPLUHW-UHFFFAOYSA-N 1 2 338.411 2.276 20 30 EEEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000491694683 533276698 /nfs/dbraw/zinc/27/66/98/533276698.db2.gz WBSRDNZWGHBNPK-CYBMUJFWSA-N 1 2 343.452 2.161 20 30 EEEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000491694683 533276701 /nfs/dbraw/zinc/27/67/01/533276701.db2.gz WBSRDNZWGHBNPK-CYBMUJFWSA-N 1 2 343.452 2.161 20 30 EEEDLO C#C[C@H](C)N(C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000491816367 533282984 /nfs/dbraw/zinc/28/29/84/533282984.db2.gz SEDBETFBEMCRNJ-BBRMVZONSA-N 1 2 326.400 2.181 20 30 EEEDLO C#C[C@H]1COCCN1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000491515618 533337096 /nfs/dbraw/zinc/33/70/96/533337096.db2.gz OORKXUDLLZFGJM-ZDUSSCGKSA-N 1 2 344.802 2.069 20 30 EEEDLO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1noc(-c2ccsc2)n1 ZINC000089942654 292214847 /nfs/dbraw/zinc/21/48/47/292214847.db2.gz SSGTWLIUBSEXGW-UHFFFAOYSA-N 1 2 343.416 2.040 20 30 EEEDLO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1noc(-c2ccsc2)n1 ZINC000089942654 292214848 /nfs/dbraw/zinc/21/48/48/292214848.db2.gz SSGTWLIUBSEXGW-UHFFFAOYSA-N 1 2 343.416 2.040 20 30 EEEDLO N#Cc1ccc(NCC(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1 ZINC000337591001 152457799 /nfs/dbraw/zinc/45/77/99/152457799.db2.gz MXLSKFDNHSVGLA-GOSISDBHSA-N 1 2 338.386 2.282 20 30 EEEDLO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2cc(C#N)cs2)C[C@@H](C)O1 ZINC000246079650 160261883 /nfs/dbraw/zinc/26/18/83/160261883.db2.gz DZUWKSJJSNUVNU-UMVBOHGHSA-N 1 2 333.457 2.334 20 30 EEEDLO Cn1cc([C@H]2CCC[N@@H+]2[C@H]2CCN(c3sccc3C#N)C2=O)cn1 ZINC000246303879 160272801 /nfs/dbraw/zinc/27/28/01/160272801.db2.gz BZFPXFFECIKZCQ-CABCVRRESA-N 1 2 341.440 2.296 20 30 EEEDLO Cn1cc([C@H]2CCC[N@H+]2[C@H]2CCN(c3sccc3C#N)C2=O)cn1 ZINC000246303879 160272802 /nfs/dbraw/zinc/27/28/02/160272802.db2.gz BZFPXFFECIKZCQ-CABCVRRESA-N 1 2 341.440 2.296 20 30 EEEDLO N#Cc1ccc(NCC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000343347858 161127175 /nfs/dbraw/zinc/12/71/75/161127175.db2.gz VSDAAXOESGPWPJ-UHFFFAOYSA-N 1 2 332.367 2.249 20 30 EEEDLO CC(C)COC(=O)N1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000155929476 292549048 /nfs/dbraw/zinc/54/90/48/292549048.db2.gz QXKAUMJYWJKVTF-KRWDZBQOSA-N 1 2 331.416 2.002 20 30 EEEDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000295443584 270018406 /nfs/dbraw/zinc/01/84/06/270018406.db2.gz WVZMDSDRIFFZBK-LBPRGKRZSA-N 1 2 341.864 2.316 20 30 EEEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2cn3ccccc3[nH+]2)cc1 ZINC000349358572 268087218 /nfs/dbraw/zinc/08/72/18/268087218.db2.gz WLTOQKJPEYNKKV-INIZCTEOSA-N 1 2 329.363 2.205 20 30 EEEDLO N#Cc1ccc(OCc2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000278167766 269212900 /nfs/dbraw/zinc/21/29/00/269212900.db2.gz UPAFDWLJYMHZKX-GDBMZVCRSA-N 1 2 340.383 2.446 20 30 EEEDLO N#Cc1ccc(OCc2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000278167766 269212901 /nfs/dbraw/zinc/21/29/01/269212901.db2.gz UPAFDWLJYMHZKX-GDBMZVCRSA-N 1 2 340.383 2.446 20 30 EEEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000280676139 269384540 /nfs/dbraw/zinc/38/45/40/269384540.db2.gz YWGWTOHMPPRKBQ-UHFFFAOYSA-N 1 2 334.379 2.289 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1C#N ZINC000565872594 319221799 /nfs/dbraw/zinc/22/17/99/319221799.db2.gz DKDPPYODTPRHAA-IQUTYRLHSA-N 1 2 344.411 2.113 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1C#N ZINC000565872594 319221802 /nfs/dbraw/zinc/22/18/02/319221802.db2.gz DKDPPYODTPRHAA-IQUTYRLHSA-N 1 2 344.411 2.113 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC000580930674 324153097 /nfs/dbraw/zinc/15/30/97/324153097.db2.gz YWZXYJIRTHUTDA-QGZVFWFLSA-N 1 2 341.436 2.216 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC000580930674 324153099 /nfs/dbraw/zinc/15/30/99/324153099.db2.gz YWZXYJIRTHUTDA-QGZVFWFLSA-N 1 2 341.436 2.216 20 30 EEEDLO C[C@@H]1CSC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000347490102 465054037 /nfs/dbraw/zinc/05/40/37/465054037.db2.gz ZFQKLTCZDWZOGM-RHSMWYFYSA-N 1 2 344.484 2.137 20 30 EEEDLO COc1ccc2occ(C(=O)N[C@H](C)C[NH+]3CCN(C)CC3)c2c1 ZINC000328731926 465111837 /nfs/dbraw/zinc/11/18/37/465111837.db2.gz XFDJRGMNUWTZQS-CYBMUJFWSA-N 1 2 331.416 2.382 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000296256542 465132916 /nfs/dbraw/zinc/13/29/16/465132916.db2.gz FYVCIMDTGUOUGF-GOEBONIOSA-N 1 2 325.412 2.374 20 30 EEEDLO C[C@H](C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1cccnc1 ZINC000328932747 465172842 /nfs/dbraw/zinc/17/28/42/465172842.db2.gz PHKMXYPFMUTCRF-HNNXBMFYSA-N 1 2 344.459 2.086 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)NC1CC(F)(F)C1)C1CCOCC1 ZINC000329041941 465214833 /nfs/dbraw/zinc/21/48/33/465214833.db2.gz ILBJFIWRUWSQLX-GFCCVEGCSA-N 1 2 328.363 2.189 20 30 EEEDLO C=CCN1CC[C@H]([NH2+][C@@H](C)c2nc(-c3ccccc3OC)no2)C1=O ZINC000337214885 465247289 /nfs/dbraw/zinc/24/72/89/465247289.db2.gz XWCHNHKFVFSNMT-JSGCOSHPSA-N 1 2 342.399 2.183 20 30 EEEDLO C[C@@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)C(=O)NC1(C#N)CCC1 ZINC000337218731 465250685 /nfs/dbraw/zinc/25/06/85/465250685.db2.gz JFAKHUOWGMJEJU-ZWNOBZJWSA-N 1 2 339.798 2.053 20 30 EEEDLO C=CC[C@@H](CO)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000341702729 465255100 /nfs/dbraw/zinc/25/51/00/465255100.db2.gz KTKFQAFVTRPBNO-CJNGLKHVSA-N 1 2 346.406 2.132 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000339443542 465277967 /nfs/dbraw/zinc/27/79/67/465277967.db2.gz WJMYFUPYIWGJDE-RISCZKNCSA-N 1 2 335.370 2.179 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000339443542 465277972 /nfs/dbraw/zinc/27/79/72/465277972.db2.gz WJMYFUPYIWGJDE-RISCZKNCSA-N 1 2 335.370 2.179 20 30 EEEDLO C=CCOc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000356084697 465292057 /nfs/dbraw/zinc/29/20/57/465292057.db2.gz RDOUJNRMWNKRTE-RDJZCZTQSA-N 1 2 330.428 2.187 20 30 EEEDLO O=C(CN1CCn2cc[nH+]c2C1)Nc1ccc2c(c1)OCCCO2 ZINC000329314066 465296925 /nfs/dbraw/zinc/29/69/25/465296925.db2.gz GWQQQIRQOBGZHY-UHFFFAOYSA-N 1 2 328.372 2.148 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC(F)(F)C1)C1CCOCC1 ZINC000329348538 465307813 /nfs/dbraw/zinc/30/78/13/465307813.db2.gz SFHMJLDZEAQKSM-GFCCVEGCSA-N 1 2 328.363 2.143 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1C#N ZINC000329456705 465340334 /nfs/dbraw/zinc/34/03/34/465340334.db2.gz MYRKDCLVCPIGNB-RISCZKNCSA-N 1 2 346.456 2.080 20 30 EEEDLO C[C@@H](c1ccncc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000127451274 462555072 /nfs/dbraw/zinc/55/50/72/462555072.db2.gz QXOJAQGWWOHAJS-AWEZNQCLSA-N 1 2 329.425 2.420 20 30 EEEDLO C[C@@H](c1ccncc1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000127451274 462555077 /nfs/dbraw/zinc/55/50/77/462555077.db2.gz QXOJAQGWWOHAJS-AWEZNQCLSA-N 1 2 329.425 2.420 20 30 EEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cn[nH]c2)c1C ZINC000085825256 462561639 /nfs/dbraw/zinc/56/16/39/462561639.db2.gz ZVFFFQNKQFRAEN-UHFFFAOYSA-N 1 2 325.416 2.405 20 30 EEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cn[nH]c2)c1C ZINC000085825256 462561645 /nfs/dbraw/zinc/56/16/45/462561645.db2.gz ZVFFFQNKQFRAEN-UHFFFAOYSA-N 1 2 325.416 2.405 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000127979109 462599372 /nfs/dbraw/zinc/59/93/72/462599372.db2.gz USYIRLKTRNEEFV-KGLIPLIRSA-N 1 2 335.414 2.368 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000127979109 462599374 /nfs/dbraw/zinc/59/93/74/462599374.db2.gz USYIRLKTRNEEFV-KGLIPLIRSA-N 1 2 335.414 2.368 20 30 EEEDLO Cc1cccn2cc(CNS(=O)(=O)c3ccc(F)c(C#N)c3)[nH+]c12 ZINC000128805085 462671493 /nfs/dbraw/zinc/67/14/93/462671493.db2.gz LZLSETBRHMQBPH-UHFFFAOYSA-N 1 2 344.371 2.132 20 30 EEEDLO C[C@H](OCC1CC1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000064468220 462704757 /nfs/dbraw/zinc/70/47/57/462704757.db2.gz ZZOJPFKTUVGCPD-HNNXBMFYSA-N 1 2 327.428 2.018 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)CNc1ccc(C#N)cc1 ZINC000064723806 462717092 /nfs/dbraw/zinc/71/70/92/462717092.db2.gz ACYORVFJDUQRTK-UHFFFAOYSA-N 1 2 333.395 2.445 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1CO ZINC000118400321 462836258 /nfs/dbraw/zinc/83/62/58/462836258.db2.gz JULOZCCJYJHUQH-ZIAGYGMSSA-N 1 2 333.457 2.476 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1CO ZINC000118400321 462836261 /nfs/dbraw/zinc/83/62/61/462836261.db2.gz JULOZCCJYJHUQH-ZIAGYGMSSA-N 1 2 333.457 2.476 20 30 EEEDLO Cc1cc(NC(=O)N2CCN(c3ccccc3C#N)CC2)c(C)c[nH+]1 ZINC000535772807 468328595 /nfs/dbraw/zinc/32/85/95/468328595.db2.gz RWJWCVKAPPUDAK-UHFFFAOYSA-N 1 2 335.411 2.346 20 30 EEEDLO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c2[nH+]ccn21 ZINC000590763367 468331541 /nfs/dbraw/zinc/33/15/41/468331541.db2.gz 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463108074 /nfs/dbraw/zinc/10/80/74/463108074.db2.gz PDMKQKJREBFGKX-LJQANCHMSA-N 1 2 344.459 2.002 20 30 EEEDLO CCc1nsc(N2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)n1 ZINC000135110215 463119702 /nfs/dbraw/zinc/11/97/02/463119702.db2.gz RVNPNNGYHGKPPW-UHFFFAOYSA-N 1 2 343.456 2.303 20 30 EEEDLO N#Cc1ccccc1N1CC[NH+](Cc2nc(N)c3ccccc3n2)CC1 ZINC000078600769 463132391 /nfs/dbraw/zinc/13/23/91/463132391.db2.gz BRLDOQXGTFORCT-UHFFFAOYSA-N 1 2 344.422 2.406 20 30 EEEDLO N#CCCN(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000078924281 463166973 /nfs/dbraw/zinc/16/69/73/463166973.db2.gz IXCSYVKMVBUHSG-UHFFFAOYSA-N 1 2 338.327 2.050 20 30 EEEDLO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000139040509 463317827 /nfs/dbraw/zinc/31/78/27/463317827.db2.gz NOJKEHGCIQMZMP-KBPBESRZSA-N 1 2 347.440 2.000 20 30 EEEDLO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000139040509 463317832 /nfs/dbraw/zinc/31/78/32/463317832.db2.gz NOJKEHGCIQMZMP-KBPBESRZSA-N 1 2 347.440 2.000 20 30 EEEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000080904205 463364611 /nfs/dbraw/zinc/36/46/11/463364611.db2.gz DLCUDQVUQVKSMZ-FQEVSTJZSA-N 1 2 348.450 2.185 20 30 EEEDLO CC1CCN(C(=O)C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)CC1 ZINC000080908180 463364780 /nfs/dbraw/zinc/36/47/80/463364780.db2.gz GOLQSNZYQWDVGS-LJQANCHMSA-N 1 2 340.471 2.127 20 30 EEEDLO C=CCCOCC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000144977182 463379505 /nfs/dbraw/zinc/37/95/05/463379505.db2.gz CZUIBLMNRHWJJL-KRWDZBQOSA-N 1 2 329.400 2.227 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(F)c2cccnc12 ZINC000081158082 463400270 /nfs/dbraw/zinc/40/02/70/463400270.db2.gz RASNQGQEHGJIMD-UHFFFAOYSA-N 1 2 342.418 2.422 20 30 EEEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1ccc(F)c2cccnc12 ZINC000081158082 463400274 /nfs/dbraw/zinc/40/02/74/463400274.db2.gz RASNQGQEHGJIMD-UHFFFAOYSA-N 1 2 342.418 2.422 20 30 EEEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1ccc(F)c2cccnc12 ZINC000081158082 463400279 /nfs/dbraw/zinc/40/02/79/463400279.db2.gz 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/nfs/dbraw/zinc/36/80/31/468368031.db2.gz TVWWNQGNLUQAOS-UHFFFAOYSA-N 1 2 337.508 2.380 20 30 EEEDLO C=C(Br)C[NH2+][C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000184864640 463708966 /nfs/dbraw/zinc/70/89/66/463708966.db2.gz UEECYZZOZNFXCN-QMMMGPOBSA-N 1 2 327.186 2.050 20 30 EEEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000268937762 463815358 /nfs/dbraw/zinc/81/53/58/463815358.db2.gz CUXOAJCCUCVJPP-KVEBRJTLSA-N 1 2 333.388 2.097 20 30 EEEDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)o1 ZINC000541688377 468379523 /nfs/dbraw/zinc/37/95/23/468379523.db2.gz RUKDGRCHPXLAMG-CHWSQXEVSA-N 1 2 327.388 2.364 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cn1 ZINC000178189275 463858093 /nfs/dbraw/zinc/85/80/93/463858093.db2.gz PVKSOZUAKZLURL-UHFFFAOYSA-N 1 2 325.353 2.144 20 30 EEEDLO CCc1nc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cs1 ZINC000277411693 463914060 /nfs/dbraw/zinc/91/40/60/463914060.db2.gz LTWGLVTWGLFXOF-MRXNPFEDSA-N 1 2 340.452 2.468 20 30 EEEDLO C=CCOc1ccc(CNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1 ZINC000287587056 463936820 /nfs/dbraw/zinc/93/68/20/463936820.db2.gz XVKVYUXPKUESPB-CVEARBPZSA-N 1 2 347.459 2.160 20 30 EEEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2cnn(C)c2C#N)c(C)c1 ZINC000356524209 465436466 /nfs/dbraw/zinc/43/64/66/465436466.db2.gz YLVSBJKSPWZLLV-QGZVFWFLSA-N 1 2 348.410 2.276 20 30 EEEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000288629522 464052228 /nfs/dbraw/zinc/05/22/28/464052228.db2.gz NRMBJOJTUREOHA-LBPRGKRZSA-N 1 2 340.349 2.336 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186912190 464079952 /nfs/dbraw/zinc/07/99/52/464079952.db2.gz CYLOVZWXAJCBTA-SUNKGSAMSA-N 1 2 333.457 2.138 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186912190 464079955 /nfs/dbraw/zinc/07/99/55/464079955.db2.gz CYLOVZWXAJCBTA-SUNKGSAMSA-N 1 2 333.457 2.138 20 30 EEEDLO Cc1nsc(N2CC[NH+](CCC(=O)OC(C)(C)C)CC2)c1C#N ZINC000289594797 464086867 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464379476 /nfs/dbraw/zinc/37/94/76/464379476.db2.gz KSHCKUGNCUXDPD-AWEZNQCLSA-N 1 2 329.400 2.114 20 30 EEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC(=O)N(C)Cc1ccc(F)cc1 ZINC000174225080 464379775 /nfs/dbraw/zinc/37/97/75/464379775.db2.gz ZJIJRLQDGDUNKN-ZDUSSCGKSA-N 1 2 339.411 2.134 20 30 EEEDLO C=CCN(CCOC)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000189001262 464412442 /nfs/dbraw/zinc/41/24/42/464412442.db2.gz XSQJGYOQTYBHHH-HNNXBMFYSA-N 1 2 341.402 2.412 20 30 EEEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000293917152 464426087 /nfs/dbraw/zinc/42/60/87/464426087.db2.gz XNHGPEMOPZDKAR-BBRMVZONSA-N 1 2 328.372 2.045 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(OC(F)F)c1 ZINC000174829944 464456124 /nfs/dbraw/zinc/45/61/24/464456124.db2.gz YUVJBNQFMIWIPF-UHFFFAOYSA-N 1 2 339.386 2.336 20 30 EEEDLO CC(C)COC(=O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000272073949 464468345 /nfs/dbraw/zinc/46/83/45/464468345.db2.gz ZXIGUCOIRMPPGF-UHFFFAOYSA-N 1 2 343.427 2.408 20 30 EEEDLO C#CCCOc1ccc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000294464782 464507389 /nfs/dbraw/zinc/50/73/89/464507389.db2.gz PSNMKPIMQZIBCT-UHFFFAOYSA-N 1 2 349.434 2.442 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2c2cccc(F)c2)CCCCC1 ZINC000281579760 464510993 /nfs/dbraw/zinc/51/09/93/464510993.db2.gz DTYNYXDRKMAGQI-DLBZAZTESA-N 1 2 345.418 2.276 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2c2cccc(F)c2)CCCCC1 ZINC000281579760 464510998 /nfs/dbraw/zinc/51/09/98/464510998.db2.gz DTYNYXDRKMAGQI-DLBZAZTESA-N 1 2 345.418 2.276 20 30 EEEDLO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@@H](O)C(F)(F)F ZINC000189518804 464524205 /nfs/dbraw/zinc/52/42/05/464524205.db2.gz NFNXZNIFFQXHNW-GFCCVEGCSA-N 1 2 349.740 2.395 20 30 EEEDLO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@@H](O)C(F)(F)F ZINC000189518804 464524212 /nfs/dbraw/zinc/52/42/12/464524212.db2.gz NFNXZNIFFQXHNW-GFCCVEGCSA-N 1 2 349.740 2.395 20 30 EEEDLO N#Cc1c(NC(=O)C[N@H+]2CCC[C@H]2CO)sc2c1CCCCC2 ZINC000265474096 464572816 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Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)CCO2)n1 ZINC000192008379 464846321 /nfs/dbraw/zinc/84/63/21/464846321.db2.gz WNSCFVMUMLSFBL-KRWDZBQOSA-N 1 2 328.391 2.412 20 30 EEEDLO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)CCO2)n1 ZINC000192008379 464846331 /nfs/dbraw/zinc/84/63/31/464846331.db2.gz WNSCFVMUMLSFBL-KRWDZBQOSA-N 1 2 328.391 2.412 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@](F)(CO)C2)cc1 ZINC000286769740 465023593 /nfs/dbraw/zinc/02/35/93/465023593.db2.gz GLNDMFZXZIPMKQ-VQIMIIECSA-N 1 2 347.434 2.427 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@](F)(CO)C2)cc1 ZINC000286769740 465023594 /nfs/dbraw/zinc/02/35/94/465023594.db2.gz GLNDMFZXZIPMKQ-VQIMIIECSA-N 1 2 347.434 2.427 20 30 EEEDLO CC(C)Oc1cc(F)ccc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329434391 465332095 /nfs/dbraw/zinc/33/20/95/465332095.db2.gz LCVGPWFREUORQN-GDBMZVCRSA-N 1 2 337.395 2.173 20 30 EEEDLO CC(C)Oc1cc(F)ccc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329434391 465332102 /nfs/dbraw/zinc/33/21/02/465332102.db2.gz LCVGPWFREUORQN-GDBMZVCRSA-N 1 2 337.395 2.173 20 30 EEEDLO CCCc1nc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)co1 ZINC000329443819 465335090 /nfs/dbraw/zinc/33/50/90/465335090.db2.gz CAMSMWYPWHUEPY-INIZCTEOSA-N 1 2 339.461 2.140 20 30 EEEDLO CNC(=O)[C@H](NC(=O)C[N@@H+]1CCOCC2(CC2)C1)c1ccccc1 ZINC000329492833 465351552 /nfs/dbraw/zinc/35/15/52/465351552.db2.gz ZUQLAQNYEBJDCQ-MRXNPFEDSA-N 1 2 331.416 2.383 20 30 EEEDLO CNC(=O)[C@H](NC(=O)C[N@H+]1CCOCC2(CC2)C1)c1ccccc1 ZINC000329492833 465351562 /nfs/dbraw/zinc/35/15/62/465351562.db2.gz ZUQLAQNYEBJDCQ-MRXNPFEDSA-N 1 2 331.416 2.383 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000352021938 465468351 /nfs/dbraw/zinc/46/83/51/465468351.db2.gz NBNAMHJHUGAFPA-LBPRGKRZSA-N 1 2 349.381 2.454 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000352021938 465468358 /nfs/dbraw/zinc/46/83/58/465468358.db2.gz NBNAMHJHUGAFPA-LBPRGKRZSA-N 1 2 349.381 2.454 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CN(CC(=O)Nc2cc(F)cc(F)c2)CCN1C ZINC000329900442 465468782 /nfs/dbraw/zinc/46/87/82/465468782.db2.gz GDJKDFPNYZTTED-HNNXBMFYSA-N 1 2 349.385 2.275 20 30 EEEDLO CC(C)(C)C1=CC[N@H+](CCNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000330014150 465506322 /nfs/dbraw/zinc/50/63/22/465506322.db2.gz AOKRHXWXGPWVGT-ZDUSSCGKSA-N 1 2 328.478 2.056 20 30 EEEDLO CC(C)(C)C1=CC[N@@H+](CCNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000330014150 465506328 /nfs/dbraw/zinc/50/63/28/465506328.db2.gz AOKRHXWXGPWVGT-ZDUSSCGKSA-N 1 2 328.478 2.056 20 30 EEEDLO COc1c(O)cccc1C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000352618081 465542913 /nfs/dbraw/zinc/54/29/13/465542913.db2.gz LTLKIFGUZCWEAY-XOBRGWDASA-N 1 2 349.390 2.246 20 30 EEEDLO COc1c(O)cccc1C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000352618081 465542917 /nfs/dbraw/zinc/54/29/17/465542917.db2.gz LTLKIFGUZCWEAY-XOBRGWDASA-N 1 2 349.390 2.246 20 30 EEEDLO COc1c(O)cccc1C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000352618078 465543274 /nfs/dbraw/zinc/54/32/74/465543274.db2.gz LTLKIFGUZCWEAY-JLTOFOAXSA-N 1 2 349.390 2.246 20 30 EEEDLO COc1c(O)cccc1C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000352618078 465543277 /nfs/dbraw/zinc/54/32/77/465543277.db2.gz LTLKIFGUZCWEAY-JLTOFOAXSA-N 1 2 349.390 2.246 20 30 EEEDLO N#CCCCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000343847621 465560033 /nfs/dbraw/zinc/56/00/33/465560033.db2.gz BYIHNSOMUAXIQK-UHFFFAOYSA-N 1 2 336.193 2.200 20 30 EEEDLO Fc1cccc(C#CCNc2[nH+]cnc3c2cnn3-c2ncccn2)c1 ZINC000337761109 465562107 /nfs/dbraw/zinc/56/21/07/465562107.db2.gz PECFIMIJDCIGAD-UHFFFAOYSA-N 1 2 345.341 2.208 20 30 EEEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCS(=O)(=O)C1 ZINC000352921217 465569517 /nfs/dbraw/zinc/56/95/17/465569517.db2.gz GLSNRWOXIYDNEU-OAHLLOKOSA-N 1 2 325.478 2.277 20 30 EEEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCS(=O)(=O)C1 ZINC000352921217 465569524 /nfs/dbraw/zinc/56/95/24/465569524.db2.gz GLSNRWOXIYDNEU-OAHLLOKOSA-N 1 2 325.478 2.277 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C ZINC000330248958 465584632 /nfs/dbraw/zinc/58/46/32/465584632.db2.gz ZNGXXJSMFMFOCL-CHWSQXEVSA-N 1 2 346.431 2.138 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2cnn3c2CCCC3)CCO1 ZINC000330334331 465617499 /nfs/dbraw/zinc/61/74/99/465617499.db2.gz QMIQATHZOVJUNK-WBMJQRKESA-N 1 2 329.404 2.178 20 30 EEEDLO COc1cccc(F)c1NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000330338243 465620452 /nfs/dbraw/zinc/62/04/52/465620452.db2.gz VDLFBIFSZDPLBJ-ZDUSSCGKSA-N 1 2 347.394 2.102 20 30 EEEDLO COc1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1OCCCC#N ZINC000371337368 465726646 /nfs/dbraw/zinc/72/66/46/465726646.db2.gz UJKDDMACEPSXFH-OAHLLOKOSA-N 1 2 345.399 2.014 20 30 EEEDLO COc1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cc1OCCCC#N ZINC000371337368 465726654 /nfs/dbraw/zinc/72/66/54/465726654.db2.gz UJKDDMACEPSXFH-OAHLLOKOSA-N 1 2 345.399 2.014 20 30 EEEDLO C=C(C)CN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000361122735 465780610 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C[N@@H+]1CCO[C@H]([C@@H](Nc2ccc(C#N)nn2)c2ccc(Cl)cc2)C1 ZINC000301971617 466072148 /nfs/dbraw/zinc/07/21/48/466072148.db2.gz SMTUOOADSHCJMA-RDJZCZTQSA-N 1 2 343.818 2.485 20 30 EEEDLO C[N@H+]1CCO[C@H]([C@@H](Nc2ccc(C#N)nn2)c2ccc(Cl)cc2)C1 ZINC000301971617 466072154 /nfs/dbraw/zinc/07/21/54/466072154.db2.gz SMTUOOADSHCJMA-RDJZCZTQSA-N 1 2 343.818 2.485 20 30 EEEDLO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@@H+]1C ZINC000362894699 466105073 /nfs/dbraw/zinc/10/50/73/466105073.db2.gz DTWDIWHFHRPXKG-CQSZACIVSA-N 1 2 341.864 2.172 20 30 EEEDLO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@H+]1C ZINC000362894699 466105075 /nfs/dbraw/zinc/10/50/75/466105075.db2.gz DTWDIWHFHRPXKG-CQSZACIVSA-N 1 2 341.864 2.172 20 30 EEEDLO C[C@H](C(=O)N[C@H]1CCC[C@@H]1C#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000331831935 466263341 /nfs/dbraw/zinc/26/33/41/466263341.db2.gz AUQWUQBMWXKCRM-RKVPGOIHSA-N 1 2 344.434 2.145 20 30 EEEDLO CN(C)C(=O)NCC[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000347007046 466312827 /nfs/dbraw/zinc/31/28/27/466312827.db2.gz NEFBEJDUJVDPAF-UHFFFAOYSA-N 1 2 339.237 2.024 20 30 EEEDLO CN(C)C(=O)NCC[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000347007046 466312817 /nfs/dbraw/zinc/31/28/17/466312817.db2.gz NEFBEJDUJVDPAF-UHFFFAOYSA-N 1 2 339.237 2.024 20 30 EEEDLO N#CC1(NC(=O)CN2CC[NH+](Cc3ccccc3Cl)CC2)CCC1 ZINC000347044265 466346352 /nfs/dbraw/zinc/34/63/52/466346352.db2.gz FNOBUFHMLXUMJV-UHFFFAOYSA-N 1 2 346.862 2.020 20 30 EEEDLO C#CCNC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000367820417 466541655 /nfs/dbraw/zinc/54/16/55/466541655.db2.gz IULJUWOLRZQNLL-HIFRSBDPSA-N 1 2 325.334 2.172 20 30 EEEDLO C#CCNC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000367820417 466541658 /nfs/dbraw/zinc/54/16/58/466541658.db2.gz IULJUWOLRZQNLL-HIFRSBDPSA-N 1 2 325.334 2.172 20 30 EEEDLO COc1cccc2c1CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000332691024 466552097 /nfs/dbraw/zinc/55/20/97/466552097.db2.gz QKPIYQDXORRCNK-AUUYWEPGSA-N 1 2 329.444 2.496 20 30 EEEDLO COc1cccc2c1CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000332691024 466552102 /nfs/dbraw/zinc/55/21/02/466552102.db2.gz QKPIYQDXORRCNK-AUUYWEPGSA-N 1 2 329.444 2.496 20 30 EEEDLO C=C(C)COc1cccc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)c1 ZINC000347392103 466606652 /nfs/dbraw/zinc/60/66/52/466606652.db2.gz YTBKCVBPAKGRCX-INIZCTEOSA-N 1 2 332.448 2.009 20 30 EEEDLO C=C(C)COc1cccc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)c1 ZINC000347392103 466606656 /nfs/dbraw/zinc/60/66/56/466606656.db2.gz YTBKCVBPAKGRCX-INIZCTEOSA-N 1 2 332.448 2.009 20 30 EEEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N1CCC(C(=O)OC)CC1 ZINC000362185865 466610147 /nfs/dbraw/zinc/61/01/47/466610147.db2.gz XFKCDPJAMBDWFU-UHFFFAOYSA-N 1 2 337.464 2.050 20 30 EEEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N1CCC(C(=O)OC)CC1 ZINC000362185865 466610154 /nfs/dbraw/zinc/61/01/54/466610154.db2.gz XFKCDPJAMBDWFU-UHFFFAOYSA-N 1 2 337.464 2.050 20 30 EEEDLO C[N@H+](Cc1cc(C#N)ccc1Br)[C@@H]1CCCCNC1=O ZINC000365198223 466742673 /nfs/dbraw/zinc/74/26/73/466742673.db2.gz FBMORAVTFGWKFC-CQSZACIVSA-N 1 2 336.233 2.421 20 30 EEEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)[C@@H]1CCCCNC1=O ZINC000365198223 466742678 /nfs/dbraw/zinc/74/26/78/466742678.db2.gz FBMORAVTFGWKFC-CQSZACIVSA-N 1 2 336.233 2.421 20 30 EEEDLO CC(C)c1nc(C2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)no1 ZINC000370773158 467000019 /nfs/dbraw/zinc/00/00/19/467000019.db2.gz LMYDRNGIDLETQI-GOSISDBHSA-N 1 2 347.463 2.427 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000377288389 467051570 /nfs/dbraw/zinc/05/15/70/467051570.db2.gz PKCVICWCBBNJMR-XHSDSOJGSA-N 1 2 332.448 2.349 20 30 EEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425658197 467120061 /nfs/dbraw/zinc/12/00/61/467120061.db2.gz SIAWFBFOHVIPMB-UONOGXRCSA-N 1 2 329.404 2.040 20 30 EEEDLO C=CCc1ccc(OCC(=O)N[C@H]2CCn3cc[nH+]c3C2)c(OC)c1 ZINC000427987710 467191337 /nfs/dbraw/zinc/19/13/37/467191337.db2.gz BULCMIYYOATOEB-HNNXBMFYSA-N 1 2 341.411 2.130 20 30 EEEDLO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000429363378 467329334 /nfs/dbraw/zinc/32/93/34/467329334.db2.gz CRNVEWYGGJFCHJ-GFCCVEGCSA-N 1 2 344.383 2.026 20 30 EEEDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000429363378 467329340 /nfs/dbraw/zinc/32/93/40/467329340.db2.gz CRNVEWYGGJFCHJ-GFCCVEGCSA-N 1 2 344.383 2.026 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(Br)c(F)c1 ZINC000414122704 467379975 /nfs/dbraw/zinc/37/99/75/467379975.db2.gz GIDWLNOLEANZQE-JTQLQIEISA-N 1 2 331.185 2.173 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(Br)c(F)c1 ZINC000414122704 467379977 /nfs/dbraw/zinc/37/99/77/467379977.db2.gz GIDWLNOLEANZQE-JTQLQIEISA-N 1 2 331.185 2.173 20 30 EEEDLO Cc1cc(OC[C@H](O)C[N@H+](C)CCC#N)ccc1Br ZINC000414149872 467384070 /nfs/dbraw/zinc/38/40/70/467384070.db2.gz VERXMYZNUJUTOH-GFCCVEGCSA-N 1 2 327.222 2.343 20 30 EEEDLO Cc1cc(OC[C@H](O)C[N@@H+](C)CCC#N)ccc1Br ZINC000414149872 467384074 /nfs/dbraw/zinc/38/40/74/467384074.db2.gz VERXMYZNUJUTOH-GFCCVEGCSA-N 1 2 327.222 2.343 20 30 EEEDLO C=CCOc1cccc(NC(=O)C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000453971761 467559575 /nfs/dbraw/zinc/55/95/75/467559575.db2.gz JIVPYTXOQUYTPP-WFASDCNBSA-N 1 2 340.383 2.209 20 30 EEEDLO Cc1ccc([C@H](CNC(=O)[C@@]2(C#N)C[C@H]2C)[NH+]2CCOCC2)cc1 ZINC000448754890 467600228 /nfs/dbraw/zinc/60/02/28/467600228.db2.gz XTWHSNJFBBFKHB-HHXXYDBFSA-N 1 2 327.428 2.034 20 30 EEEDLO C=CCC[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)OCC ZINC000497299656 467928291 /nfs/dbraw/zinc/92/82/91/467928291.db2.gz RQOMJPYKCAQDGU-UONOGXRCSA-N 1 2 326.437 2.483 20 30 EEEDLO C=CCCCC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000493669843 467960642 /nfs/dbraw/zinc/96/06/42/467960642.db2.gz JCCBXKBETYWZBI-AWEZNQCLSA-N 1 2 325.453 2.010 20 30 EEEDLO C=CCCCC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000493669843 467960646 /nfs/dbraw/zinc/96/06/46/467960646.db2.gz JCCBXKBETYWZBI-AWEZNQCLSA-N 1 2 325.453 2.010 20 30 EEEDLO CCN1CCN(c2nc3c(cc2C#N)CCCC3)C[C@H]1c1[nH]cc[nH+]1 ZINC000530375878 467979906 /nfs/dbraw/zinc/97/99/06/467979906.db2.gz MXTRJNMKPNEUQE-KRWDZBQOSA-N 1 2 336.443 2.438 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(F)c1Br ZINC000517572608 468089759 /nfs/dbraw/zinc/08/97/59/468089759.db2.gz PFZJWGPSGCEOJI-CYBMUJFWSA-N 1 2 328.185 2.162 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN([C@H]3CC[C@H](C#N)C3)CC2)C1 ZINC000495594158 468097412 /nfs/dbraw/zinc/09/74/12/468097412.db2.gz MCWLVXXLFQKBNU-ULQDDVLXSA-N 1 2 348.491 2.306 20 30 EEEDLO C=CCCCS(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000489074503 468119072 /nfs/dbraw/zinc/11/90/72/468119072.db2.gz MSNFRQCQBGQYPH-MRXNPFEDSA-N 1 2 349.456 2.404 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1Cl ZINC000548813436 468141158 /nfs/dbraw/zinc/14/11/58/468141158.db2.gz SDOQOKTZLHTPAC-MRXNPFEDSA-N 1 2 326.787 2.393 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1ccc(Cl)cc1Cl ZINC000577454749 468184701 /nfs/dbraw/zinc/18/47/01/468184701.db2.gz NYBLAPINUIOBKQ-AWEZNQCLSA-N 1 2 330.215 2.332 20 30 EEEDLO C#CC[N@@H+](CCCOc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000490838481 468255651 /nfs/dbraw/zinc/25/56/51/468255651.db2.gz CBCBNIRCCGWOKV-QGZVFWFLSA-N 1 2 335.469 2.195 20 30 EEEDLO C#CC[N@H+](CCCOc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000490838481 468255655 /nfs/dbraw/zinc/25/56/55/468255655.db2.gz CBCBNIRCCGWOKV-QGZVFWFLSA-N 1 2 335.469 2.195 20 30 EEEDLO Cc1nc(N2CCN(C(=O)[C@@H](C)Cc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000594340138 468556719 /nfs/dbraw/zinc/55/67/19/468556719.db2.gz SNUPCYMXXZRRGV-HNNXBMFYSA-N 1 2 349.438 2.184 20 30 EEEDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149067 468638889 /nfs/dbraw/zinc/63/88/89/468638889.db2.gz IBONEEWEPVXIRC-BZNIZROVSA-N 1 2 343.343 2.056 20 30 EEEDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149067 468638894 /nfs/dbraw/zinc/63/88/94/468638894.db2.gz IBONEEWEPVXIRC-BZNIZROVSA-N 1 2 343.343 2.056 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCN(c2ccccc2Cl)C1 ZINC000570846744 468702839 /nfs/dbraw/zinc/70/28/39/468702839.db2.gz DGAUPJCVZLUMHQ-SUMWQHHRSA-N 1 2 334.851 2.126 20 30 EEEDLO Cc1oncc1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1ccc(Cl)c(C#N)n1 ZINC000558757103 468713337 /nfs/dbraw/zinc/71/33/37/468713337.db2.gz JDHCHPIIISZMEX-STQMWFEESA-N 1 2 349.797 2.928 20 30 EEEDLO Cc1oncc1C[N@H+]1C[C@@H](F)C[C@H]1CNc1ccc(Cl)c(C#N)n1 ZINC000558757103 468713342 /nfs/dbraw/zinc/71/33/42/468713342.db2.gz JDHCHPIIISZMEX-STQMWFEESA-N 1 2 349.797 2.928 20 30 EEEDLO CC[C@H](CC(F)F)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000594897708 468718154 /nfs/dbraw/zinc/71/81/54/468718154.db2.gz VGYXXUYQQHMYSF-CYBMUJFWSA-N 1 2 339.386 2.234 20 30 EEEDLO CCOC(=O)c1ccc(C#N)c(SCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000571299338 468769415 /nfs/dbraw/zinc/76/94/15/468769415.db2.gz OOYZXPIISUCZKP-CHWSQXEVSA-N 1 2 349.456 2.331 20 30 EEEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)nc(C)n1 ZINC000595301413 468806595 /nfs/dbraw/zinc/80/65/95/468806595.db2.gz KJMZUQHCRUSOCD-UHFFFAOYSA-N 1 2 325.391 2.426 20 30 EEEDLO Cc1cc(CNS(=O)(=O)c2c(C)cc(F)cc2C#N)cc(C)[nH+]1 ZINC000601444516 468876829 /nfs/dbraw/zinc/87/68/29/468876829.db2.gz FIMPSTWUTCEFNU-UHFFFAOYSA-N 1 2 333.388 2.496 20 30 EEEDLO CCc1nc2ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc2nc1CC ZINC000593155610 468889691 /nfs/dbraw/zinc/88/96/91/468889691.db2.gz KNRYVOXSGCTIBK-IBGZPJMESA-N 1 2 339.443 2.328 20 30 EEEDLO COc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000595758827 468992827 /nfs/dbraw/zinc/99/28/27/468992827.db2.gz IACRTLXOMNTJPZ-AUUYWEPGSA-N 1 2 329.444 2.496 20 30 EEEDLO COc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000595758827 468992829 /nfs/dbraw/zinc/99/28/29/468992829.db2.gz IACRTLXOMNTJPZ-AUUYWEPGSA-N 1 2 329.444 2.496 20 30 EEEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1-c1ccccc1Cl ZINC000573095087 469060107 /nfs/dbraw/zinc/06/01/07/469060107.db2.gz WNMRCEKHBHEGRR-QGZVFWFLSA-N 1 2 345.834 2.408 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ocnc3C(F)F)CC2)cc1 ZINC000598977487 469074033 /nfs/dbraw/zinc/07/40/33/469074033.db2.gz KRCWMQAMEWOVOH-UHFFFAOYSA-N 1 2 346.337 2.442 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000611124209 469168968 /nfs/dbraw/zinc/16/89/68/469168968.db2.gz MRBUDPKQPLKWQF-AEFFLSMTSA-N 1 2 349.438 2.277 20 30 EEEDLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCN(CCC#N)CC1 ZINC000611174659 469181561 /nfs/dbraw/zinc/18/15/61/469181561.db2.gz OBJZJSCDEOOMFK-HZPDHXFCSA-N 1 2 346.500 2.331 20 30 EEEDLO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCN(CCC#N)CC1 ZINC000611174660 469181624 /nfs/dbraw/zinc/18/16/24/469181624.db2.gz OBJZJSCDEOOMFK-JKSUJKDBSA-N 1 2 346.500 2.331 20 30 EEEDLO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(CCC#N)CC1 ZINC000611175539 469181658 /nfs/dbraw/zinc/18/16/58/469181658.db2.gz ZINVHFXHMLVWMT-GOSISDBHSA-N 1 2 328.460 2.127 20 30 EEEDLO CN(C(=O)C[NH+]1CCN(CCC#N)CC1)[C@H]1CCCc2ccccc21 ZINC000611174397 469181694 /nfs/dbraw/zinc/18/16/94/469181694.db2.gz DKAUAJPARSMAMR-IBGZPJMESA-N 1 2 340.471 2.054 20 30 EEEDLO CC(C)[C@H](CNC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccccc1 ZINC000611175021 469181891 /nfs/dbraw/zinc/18/18/91/469181891.db2.gz VJUACLNPGDAHRR-IBGZPJMESA-N 1 2 342.487 2.074 20 30 EEEDLO C[C@H](NC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccc(Cl)cc1 ZINC000611174810 469182104 /nfs/dbraw/zinc/18/21/04/469182104.db2.gz QLLFJSVEMTUYTA-AWEZNQCLSA-N 1 2 334.851 2.048 20 30 EEEDLO CCOC(=O)c1c(NC(=O)C[C@H](C)n2cc[nH+]c2)c(C#N)cn1CC ZINC000563225324 469205680 /nfs/dbraw/zinc/20/56/80/469205680.db2.gz HORVJQCNONXCIX-LBPRGKRZSA-N 1 2 343.387 2.343 20 30 EEEDLO CC(C)(C#N)CCS(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000563482230 469240096 /nfs/dbraw/zinc/24/00/96/469240096.db2.gz OUDUVIRIMDACNT-UHFFFAOYSA-N 1 2 332.429 2.436 20 30 EEEDLO N#Cc1ccc(CN2CC[NH+](Cc3cn[nH]c3)CC2)c(OC(F)F)c1 ZINC000599439208 469257236 /nfs/dbraw/zinc/25/72/36/469257236.db2.gz KLHGVVFQPMFMBO-UHFFFAOYSA-N 1 2 347.369 2.201 20 30 EEEDLO C[C@@H]1C[N@H+](CCNc2nc(C(F)(F)F)ccc2C#N)[C@@H](C)CO1 ZINC000596428796 469263574 /nfs/dbraw/zinc/26/35/74/469263574.db2.gz HYGBFYNQVTVGLT-WDEREUQCSA-N 1 2 328.338 2.493 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNc2nc(C(F)(F)F)ccc2C#N)[C@@H](C)CO1 ZINC000596428796 469263577 /nfs/dbraw/zinc/26/35/77/469263577.db2.gz HYGBFYNQVTVGLT-WDEREUQCSA-N 1 2 328.338 2.493 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@@](F)(C#N)C1)c1cccc(F)c1 ZINC000615578054 469272555 /nfs/dbraw/zinc/27/25/55/469272555.db2.gz UGFYJZHPXKCDLG-WMLDXEAASA-N 1 2 345.353 2.296 20 30 EEEDLO C=CCCSCCNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000596717043 469342934 /nfs/dbraw/zinc/34/29/34/469342934.db2.gz DFYGGMMNCJOBKQ-ZDUSSCGKSA-N 1 2 340.493 2.088 20 30 EEEDLO N#CCc1cccc(NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)c1 ZINC000596926003 469409982 /nfs/dbraw/zinc/40/99/82/469409982.db2.gz PABOQRLAZWJBNZ-UHFFFAOYSA-N 1 2 342.443 2.329 20 30 EEEDLO N#C[C@H]1CCC[C@H]1NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000613163981 469645584 /nfs/dbraw/zinc/64/55/84/469645584.db2.gz PDOKTCKZDTUXJG-UKRRQHHQSA-N 1 2 333.461 2.053 20 30 EEEDLO N#C[C@H]1CCC[C@H]1NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000613163981 469645589 /nfs/dbraw/zinc/64/55/89/469645589.db2.gz PDOKTCKZDTUXJG-UKRRQHHQSA-N 1 2 333.461 2.053 20 30 EEEDLO N#Cc1cc(O)cc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC000614364084 469921109 /nfs/dbraw/zinc/92/11/09/469921109.db2.gz JPXBZUPUTPOESN-UHFFFAOYSA-N 1 2 337.379 2.348 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000609484696 469931959 /nfs/dbraw/zinc/93/19/59/469931959.db2.gz HRYXWLUVDSMQNB-SFHVURJKSA-N 1 2 328.460 2.054 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000609485313 469932138 /nfs/dbraw/zinc/93/21/38/469932138.db2.gz MZGMXFNEZGNCMY-FHWLQOOXSA-N 1 2 346.519 2.333 20 30 EEEDLO C[C@@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1cccc(C#N)c1 ZINC000610354130 470006951 /nfs/dbraw/zinc/00/69/51/470006951.db2.gz XTUXNVNSKCLJAF-CQSZACIVSA-N 1 2 330.432 2.029 20 30 EEEDLO C[C@@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1cccc(C#N)c1 ZINC000610354130 470006952 /nfs/dbraw/zinc/00/69/52/470006952.db2.gz XTUXNVNSKCLJAF-CQSZACIVSA-N 1 2 330.432 2.029 20 30 EEEDLO C[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000610354055 470007232 /nfs/dbraw/zinc/00/72/32/470007232.db2.gz OVVHWRDXWNPZON-KKUMJFAQSA-N 1 2 330.432 2.028 20 30 EEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+](Cc1ccccn1)C1CC1 ZINC000625289809 470113529 /nfs/dbraw/zinc/11/35/29/470113529.db2.gz SINYAMPDMCFNMB-UHFFFAOYSA-N 1 2 345.402 2.346 20 30 EEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+](Cc1ccccn1)C1CC1 ZINC000625289809 470113532 /nfs/dbraw/zinc/11/35/32/470113532.db2.gz SINYAMPDMCFNMB-UHFFFAOYSA-N 1 2 345.402 2.346 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2nn(-c3ccccc3)c3c2CCC3)nn1 ZINC000641006965 471160356 /nfs/dbraw/zinc/16/03/56/471160356.db2.gz GATXMMPHAGBSAO-UHFFFAOYSA-N 1 2 346.438 2.114 20 30 EEEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1OCC(=O)N1CCCC1 ZINC000093090588 533792637 /nfs/dbraw/zinc/79/26/37/533792637.db2.gz GXOGGUBGEAMFNT-HNNXBMFYSA-N 1 2 345.443 2.430 20 30 EEEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1OCC(=O)N1CCCC1 ZINC000093090588 533792643 /nfs/dbraw/zinc/79/26/43/533792643.db2.gz GXOGGUBGEAMFNT-HNNXBMFYSA-N 1 2 345.443 2.430 20 30 EEEDLO N#CCNC(=O)C[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000358027836 534672919 /nfs/dbraw/zinc/67/29/19/534672919.db2.gz CGZBLOAGEURZID-UHFFFAOYSA-N 1 2 334.217 2.178 20 30 EEEDLO N#CCNC(=O)C[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000358027836 534672922 /nfs/dbraw/zinc/67/29/22/534672922.db2.gz CGZBLOAGEURZID-UHFFFAOYSA-N 1 2 334.217 2.178 20 30 EEEDLO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000174330121 526637106 /nfs/dbraw/zinc/63/71/06/526637106.db2.gz OSRKEOJTAZAKKG-NWDGAFQWSA-N 1 2 330.388 2.087 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000362298595 526695108 /nfs/dbraw/zinc/69/51/08/526695108.db2.gz VPKHCCMTXRHDID-IAGOWNOFSA-N 1 2 335.492 2.134 20 30 EEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105298849 526905421 /nfs/dbraw/zinc/90/54/21/526905421.db2.gz IAJSQFSKJAHYTM-JKSUJKDBSA-N 1 2 347.434 2.080 20 30 EEEDLO C=CCc1cc(C[N@@H+](C)[C@@H](C)CS(=O)(=O)CC)cc(OC)c1O ZINC000093416961 527235537 /nfs/dbraw/zinc/23/55/37/527235537.db2.gz NSFNPCNHNGXAFM-ZDUSSCGKSA-N 1 2 341.473 2.384 20 30 EEEDLO C=CCc1cc(C[N@H+](C)[C@@H](C)CS(=O)(=O)CC)cc(OC)c1O ZINC000093416961 527235543 /nfs/dbraw/zinc/23/55/43/527235543.db2.gz NSFNPCNHNGXAFM-ZDUSSCGKSA-N 1 2 341.473 2.384 20 30 EEEDLO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000101564795 527952627 /nfs/dbraw/zinc/95/26/27/527952627.db2.gz DIIZDTWRABIEBY-INIZCTEOSA-N 1 2 348.491 2.052 20 30 EEEDLO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000101564795 527952633 /nfs/dbraw/zinc/95/26/33/527952633.db2.gz DIIZDTWRABIEBY-INIZCTEOSA-N 1 2 348.491 2.052 20 30 EEEDLO CCCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000101564998 527954957 /nfs/dbraw/zinc/95/49/57/527954957.db2.gz GIVRRIMUDCOOND-HOTGVXAUSA-N 1 2 348.491 2.098 20 30 EEEDLO CCCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000101564998 527954961 /nfs/dbraw/zinc/95/49/61/527954961.db2.gz GIVRRIMUDCOOND-HOTGVXAUSA-N 1 2 348.491 2.098 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)[C@H](OC2CCCC2)c2ccccc2)CC1 ZINC000726985295 576364227 /nfs/dbraw/zinc/36/42/27/576364227.db2.gz KPRKYOAEQUSXLD-LJQANCHMSA-N 1 2 326.440 2.464 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)nc1 ZINC000728803383 576530851 /nfs/dbraw/zinc/53/08/51/576530851.db2.gz YWSRGEJJWNNCME-QGZVFWFLSA-N 1 2 334.354 2.455 20 30 EEEDLO C[C@@H](NC(=O)c1ccccc1SCC#N)[C@H](C)[NH+]1CCOCC1 ZINC000729444375 576655341 /nfs/dbraw/zinc/65/53/41/576655341.db2.gz KEVGKXSDZIECCW-KGLIPLIRSA-N 1 2 333.457 2.141 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC3(CNC(=O)C3)CC2)c1C#N ZINC000773433448 577342081 /nfs/dbraw/zinc/34/20/81/577342081.db2.gz WJOYPHGSYULRLO-UHFFFAOYSA-N 1 2 349.438 2.155 20 30 EEEDLO COc1ccc(C(=O)NC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000775160733 577431529 /nfs/dbraw/zinc/43/15/29/577431529.db2.gz IQKCPRVPJOZKGD-ZDUSSCGKSA-N 1 2 337.379 2.174 20 30 EEEDLO c1cn(-c2ccc(N=NCc3c[nH]nc3-c3ccccc3)nn2)c[nH+]1 ZINC000761831530 577689743 /nfs/dbraw/zinc/68/97/43/577689743.db2.gz QVASWONKQXLKPB-UHFFFAOYSA-N 1 2 330.355 2.498 20 30 EEEDLO C(=NNc1ccc(-n2cc[nH+]c2)nn1)c1c[nH]nc1-c1ccccc1 ZINC000761831530 577689744 /nfs/dbraw/zinc/68/97/44/577689744.db2.gz QVASWONKQXLKPB-UHFFFAOYSA-N 1 2 330.355 2.498 20 30 EEEDLO CCOC(=O)[C@@H]1CCC(N=Nc2ccc(-n3cc[nH+]c3)nn2)C[C@@H]1C ZINC000761837585 577689854 /nfs/dbraw/zinc/68/98/54/577689854.db2.gz GXCWTNMLXVPQFL-GXTWGEPZSA-N 1 2 342.403 2.430 20 30 EEEDLO COc1cc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)cc(Cl)c1O ZINC000761857145 577690207 /nfs/dbraw/zinc/69/02/07/577690207.db2.gz ICAXODVDGGAHMI-UHFFFAOYSA-N 1 2 344.762 2.476 20 30 EEEDLO COc1nccnc1N=NCc1c[nH+]c2ccc(Br)cn12 ZINC000763424490 577721051 /nfs/dbraw/zinc/72/10/51/577721051.db2.gz FTDUTRIYGPNLFW-UHFFFAOYSA-N 1 2 347.176 2.341 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(Cl)c(C)c(Cl)c2)CC1 ZINC000754302512 577804288 /nfs/dbraw/zinc/80/42/88/577804288.db2.gz UESUOMZEJGJNGJ-UHFFFAOYSA-N 1 2 340.254 2.491 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(CC(F)(F)F)C(C)C)cc1 ZINC000742354297 577871581 /nfs/dbraw/zinc/87/15/81/577871581.db2.gz GANCTWQEMBSMMO-UHFFFAOYSA-N 1 2 347.337 2.131 20 30 EEEDLO C=CC[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccncc1 ZINC000745827496 577919222 /nfs/dbraw/zinc/91/92/22/577919222.db2.gz KXQHWGJPHDAUQZ-MSOLQXFVSA-N 1 2 344.459 2.205 20 30 EEEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000746679044 577932382 /nfs/dbraw/zinc/93/23/82/577932382.db2.gz NAJFUJWDYNHMAA-KRWDZBQOSA-N 1 2 346.427 2.370 20 30 EEEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000746679044 577932383 /nfs/dbraw/zinc/93/23/83/577932383.db2.gz NAJFUJWDYNHMAA-KRWDZBQOSA-N 1 2 346.427 2.370 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(Cl)ccc2Cl)CC1 ZINC000749989149 577985225 /nfs/dbraw/zinc/98/52/25/577985225.db2.gz DKIPCFUTTUMAPQ-UHFFFAOYSA-N 1 2 326.227 2.183 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CC1 ZINC000823903723 608266557 /nfs/dbraw/zinc/26/65/57/608266557.db2.gz IQGUNTBCAGFEAC-UHFFFAOYSA-N 1 2 332.795 2.109 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CC1 ZINC000823903723 608266558 /nfs/dbraw/zinc/26/65/58/608266558.db2.gz IQGUNTBCAGFEAC-UHFFFAOYSA-N 1 2 332.795 2.109 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3noc(C4CC4)n3)C2)CC1 ZINC001020544055 675044251 /nfs/dbraw/zinc/04/42/51/675044251.db2.gz HMQKACYBWNNBIY-SHTZXODSSA-N 1 2 330.432 2.430 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(N3CCCC3)nc2)C1 ZINC000970590810 676009165 /nfs/dbraw/zinc/00/91/65/676009165.db2.gz WNTARTVWUYRFRH-AWEZNQCLSA-N 1 2 348.878 2.484 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccc3nsnc32)C1 ZINC000970668375 676065155 /nfs/dbraw/zinc/06/51/55/676065155.db2.gz NPWBVGLZTCPOBL-SNVBAGLBSA-N 1 2 336.848 2.494 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2nc3cccnc3s2)C1 ZINC000969848211 675250220 /nfs/dbraw/zinc/25/02/20/675250220.db2.gz UOBWZABKLFYRTI-SNVBAGLBSA-N 1 2 336.848 2.494 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cn3c(n2)C[C@H](C)CC3)C1 ZINC000969960923 675345991 /nfs/dbraw/zinc/34/59/91/675345991.db2.gz ITMXLPTTXSNGBP-YPMHNXCESA-N 1 2 336.867 2.268 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC000970000812 675374390 /nfs/dbraw/zinc/37/43/90/675374390.db2.gz NGODXHNWTAODEP-NSHDSACASA-N 1 2 346.818 2.138 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)C(C)(F)F)C1 ZINC000970951014 676264180 /nfs/dbraw/zinc/26/41/80/676264180.db2.gz SZICBEGSKWDBFB-AWEZNQCLSA-N 1 2 325.334 2.385 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)C(C)(F)F)C1 ZINC000970951014 676264182 /nfs/dbraw/zinc/26/41/82/676264182.db2.gz SZICBEGSKWDBFB-AWEZNQCLSA-N 1 2 325.334 2.385 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC2(CC1)C[N@H+](Cc1ocnc1C)CCO2 ZINC000949433354 676275015 /nfs/dbraw/zinc/27/50/15/676275015.db2.gz PUVMGEYNVUNWRG-UHFFFAOYSA-N 1 2 347.459 2.389 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC2(CC1)C[N@@H+](Cc1ocnc1C)CCO2 ZINC000949433354 676275016 /nfs/dbraw/zinc/27/50/16/676275016.db2.gz PUVMGEYNVUNWRG-UHFFFAOYSA-N 1 2 347.459 2.389 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)C[C@@H]2CCCO2)C1 ZINC000971105781 676376400 /nfs/dbraw/zinc/37/64/00/676376400.db2.gz BBNSGEBJFZNXPL-ROUUACIJSA-N 1 2 345.418 2.299 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)C[C@@H]2CCCO2)C1 ZINC000971105781 676376402 /nfs/dbraw/zinc/37/64/02/676376402.db2.gz BBNSGEBJFZNXPL-ROUUACIJSA-N 1 2 345.418 2.299 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2ccn(-c3ccccc3)n2)C1 ZINC000971210939 676443406 /nfs/dbraw/zinc/44/34/06/676443406.db2.gz LGKIRPAGEPRVOQ-YJBOKZPZSA-N 1 2 337.427 2.065 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(-c3ccccc3)n2)C1 ZINC000971210939 676443407 /nfs/dbraw/zinc/44/34/07/676443407.db2.gz LGKIRPAGEPRVOQ-YJBOKZPZSA-N 1 2 337.427 2.065 20 30 EEEDLO CCC(CC)n1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC000971220821 676446558 /nfs/dbraw/zinc/44/65/58/676446558.db2.gz KSJFZDFQISXGIJ-YOEHRIQHSA-N 1 2 331.464 2.437 20 30 EEEDLO CCC(CC)n1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC000971220821 676446560 /nfs/dbraw/zinc/44/65/60/676446560.db2.gz KSJFZDFQISXGIJ-YOEHRIQHSA-N 1 2 331.464 2.437 20 30 EEEDLO CCc1nc(C[N@H+](C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)cs1 ZINC000971375514 676508501 /nfs/dbraw/zinc/50/85/01/676508501.db2.gz ASDSVSCSWCYACD-HNNXBMFYSA-N 1 2 343.456 2.252 20 30 EEEDLO CCc1nc(C[N@@H+](C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)cs1 ZINC000971375514 676508502 /nfs/dbraw/zinc/50/85/02/676508502.db2.gz ASDSVSCSWCYACD-HNNXBMFYSA-N 1 2 343.456 2.252 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccn(CC)n1 ZINC001039378049 676535544 /nfs/dbraw/zinc/53/55/44/676535544.db2.gz CZXCVKWXHIOAOU-CVEARBPZSA-N 1 2 336.867 2.263 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccn(CC)n1 ZINC001039378049 676535545 /nfs/dbraw/zinc/53/55/45/676535545.db2.gz CZXCVKWXHIOAOU-CVEARBPZSA-N 1 2 336.867 2.263 20 30 EEEDLO NC(CCO)=[NH+]OCc1ncc(-c2ccc(Br)cc2)o1 ZINC000121411898 676588965 /nfs/dbraw/zinc/58/89/65/676588965.db2.gz XLDURTMAOWKXBO-UHFFFAOYSA-N 1 2 340.177 2.275 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000891740344 676809971 /nfs/dbraw/zinc/80/99/71/676809971.db2.gz UNIVBRPENGIPRG-IAGOWNOFSA-N 1 2 346.402 2.172 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000891740344 676809972 /nfs/dbraw/zinc/80/99/72/676809972.db2.gz UNIVBRPENGIPRG-IAGOWNOFSA-N 1 2 346.402 2.172 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC(O)(CNc2cc[nH+]c(C)n2)CC1 ZINC001067485061 678436660 /nfs/dbraw/zinc/43/66/60/678436660.db2.gz KRYIRJWDVOVRRG-QGZVFWFLSA-N 1 2 332.448 2.153 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@]2(C1)C[N@H+](C/C=C\c1ccccc1)CCO2 ZINC000972297860 678510343 /nfs/dbraw/zinc/51/03/43/678510343.db2.gz NKIGNFCUOJWAEK-HMEHFPCLSA-N 1 2 339.439 2.163 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@]2(C1)C[N@@H+](C/C=C\c1ccccc1)CCO2 ZINC000972297860 678510345 /nfs/dbraw/zinc/51/03/45/678510345.db2.gz NKIGNFCUOJWAEK-HMEHFPCLSA-N 1 2 339.439 2.163 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)noc3CCC)C2)C1 ZINC000972373533 678621145 /nfs/dbraw/zinc/62/11/45/678621145.db2.gz MDPZIHFSEDZXSP-SFHVURJKSA-N 1 2 333.432 2.038 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)noc3CCC)C2)C1 ZINC000972373533 678621148 /nfs/dbraw/zinc/62/11/48/678621148.db2.gz MDPZIHFSEDZXSP-SFHVURJKSA-N 1 2 333.432 2.038 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccoc3C(F)(F)F)C2)C1 ZINC000972400088 678687745 /nfs/dbraw/zinc/68/77/45/678687745.db2.gz RNWIICTWCVPJNC-HNNXBMFYSA-N 1 2 344.333 2.401 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccoc3C(F)(F)F)C2)C1 ZINC000972400088 678687748 /nfs/dbraw/zinc/68/77/48/678687748.db2.gz RNWIICTWCVPJNC-HNNXBMFYSA-N 1 2 344.333 2.401 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4ccc(C)cc4[nH]3)C2)C1 ZINC000972486209 678871725 /nfs/dbraw/zinc/87/17/25/678871725.db2.gz FQPGYXOKSIIFKZ-FQEVSTJZSA-N 1 2 337.423 2.026 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4ccc(C)cc4[nH]3)C2)C1 ZINC000972486209 678871729 /nfs/dbraw/zinc/87/17/29/678871729.db2.gz FQPGYXOKSIIFKZ-FQEVSTJZSA-N 1 2 337.423 2.026 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC000972526998 679173340 /nfs/dbraw/zinc/17/33/40/679173340.db2.gz OJLLXRPZMRSWAB-IKGGRYGDSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(C)n2)C1 ZINC000972526998 679173341 /nfs/dbraw/zinc/17/33/41/679173341.db2.gz OJLLXRPZMRSWAB-IKGGRYGDSA-N 1 2 349.500 2.465 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccccc3-n3cccc3)C2)C1 ZINC000972533960 679195760 /nfs/dbraw/zinc/19/57/60/679195760.db2.gz IGYGVCPXIVAKQS-OAQYLSRUSA-N 1 2 349.434 2.027 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccccc3-n3cccc3)C2)C1 ZINC000972533960 679195761 /nfs/dbraw/zinc/19/57/61/679195761.db2.gz IGYGVCPXIVAKQS-OAQYLSRUSA-N 1 2 349.434 2.027 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cncc(C)c1 ZINC001038266046 679229761 /nfs/dbraw/zinc/22/97/61/679229761.db2.gz IRNNWIZYGBMYLW-KSZLIROESA-N 1 2 329.444 2.062 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cncc(C)c1 ZINC001038266046 679229764 /nfs/dbraw/zinc/22/97/64/679229764.db2.gz IRNNWIZYGBMYLW-KSZLIROESA-N 1 2 329.444 2.062 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cnns3)C2)cc1 ZINC001023527622 679361149 /nfs/dbraw/zinc/36/11/49/679361149.db2.gz ZNEXKHHCVSVVDQ-OAHLLOKOSA-N 1 2 340.452 2.161 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cnns3)C2)cc1 ZINC001023527622 679361151 /nfs/dbraw/zinc/36/11/51/679361151.db2.gz ZNEXKHHCVSVVDQ-OAHLLOKOSA-N 1 2 340.452 2.161 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccccc3)C2)C1 ZINC000972643676 679498226 /nfs/dbraw/zinc/49/82/26/679498226.db2.gz SAFNZLNFSKKQIP-XLIONFOSSA-N 1 2 326.440 2.117 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccccc3)C2)C1 ZINC000972643676 679498227 /nfs/dbraw/zinc/49/82/27/679498227.db2.gz SAFNZLNFSKKQIP-XLIONFOSSA-N 1 2 326.440 2.117 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C4CC4)cn3)C2)C1 ZINC000972661109 679529078 /nfs/dbraw/zinc/52/90/78/679529078.db2.gz XYHMLJQQCPKVKO-LJQANCHMSA-N 1 2 327.428 2.062 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C4CC4)cn3)C2)C1 ZINC000972661109 679529082 /nfs/dbraw/zinc/52/90/82/679529082.db2.gz XYHMLJQQCPKVKO-LJQANCHMSA-N 1 2 327.428 2.062 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccn3C(C)C)C2)C1 ZINC000972679388 679593203 /nfs/dbraw/zinc/59/32/03/679593203.db2.gz YTFQEHMJAVWKIG-IBGZPJMESA-N 1 2 329.444 2.009 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccn3C(C)C)C2)C1 ZINC000972679388 679593204 /nfs/dbraw/zinc/59/32/04/679593204.db2.gz YTFQEHMJAVWKIG-IBGZPJMESA-N 1 2 329.444 2.009 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](F)Cc3ccccc3)C2)C1 ZINC000972685844 679601032 /nfs/dbraw/zinc/60/10/32/679601032.db2.gz WDWJBNWWFNZUMX-HKUYNNGSSA-N 1 2 332.419 2.057 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](F)Cc3ccccc3)C2)C1 ZINC000972685844 679601035 /nfs/dbraw/zinc/60/10/35/679601035.db2.gz WDWJBNWWFNZUMX-HKUYNNGSSA-N 1 2 332.419 2.057 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)n3c(C)ccc3C)C2)C1 ZINC000972689390 679607240 /nfs/dbraw/zinc/60/72/40/679607240.db2.gz XAKUWBJZODHCRJ-PKOBYXMFSA-N 1 2 331.460 2.155 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)n3c(C)ccc3C)C2)C1 ZINC000972689390 679607241 /nfs/dbraw/zinc/60/72/41/679607241.db2.gz XAKUWBJZODHCRJ-PKOBYXMFSA-N 1 2 331.460 2.155 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H](C)c3ncc(C)o3)C2)cn1 ZINC000972757245 679750262 /nfs/dbraw/zinc/75/02/62/679750262.db2.gz WZBKMGCHMSSWBQ-WMLDXEAASA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H](C)c3ncc(C)o3)C2)cn1 ZINC000972757245 679750263 /nfs/dbraw/zinc/75/02/63/679750263.db2.gz WZBKMGCHMSSWBQ-WMLDXEAASA-N 1 2 338.411 2.267 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CCOCC1 ZINC001024300007 679864240 /nfs/dbraw/zinc/86/42/40/679864240.db2.gz XRMTVMPPZUZLFG-AWEZNQCLSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)C1CCOCC1 ZINC001024300007 679864241 /nfs/dbraw/zinc/86/42/41/679864241.db2.gz XRMTVMPPZUZLFG-AWEZNQCLSA-N 1 2 345.281 2.292 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccn[nH]2)c(F)c1 ZINC001024346480 679878748 /nfs/dbraw/zinc/87/87/48/679878748.db2.gz MZRFDWJRBLZWTI-OAHLLOKOSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccn[nH]2)c(F)c1 ZINC001024346480 679878749 /nfs/dbraw/zinc/87/87/49/679878749.db2.gz MZRFDWJRBLZWTI-OAHLLOKOSA-N 1 2 341.390 2.205 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H](Nc3[nH+]cnc4c3cnn4C)C2)CC1 ZINC001059051305 681295083 /nfs/dbraw/zinc/29/50/83/681295083.db2.gz APIZWBFENZBAGM-AWEZNQCLSA-N 1 2 340.431 2.123 20 30 EEEDLO C[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000982828401 681343614 /nfs/dbraw/zinc/34/36/14/681343614.db2.gz WHRDNAJUIHJUQW-YOEHRIQHSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000982828401 681343617 /nfs/dbraw/zinc/34/36/17/681343617.db2.gz WHRDNAJUIHJUQW-YOEHRIQHSA-N 1 2 345.418 2.157 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC1(F)F ZINC001038394173 681476228 /nfs/dbraw/zinc/47/62/28/681476228.db2.gz FJUUDGXRYINOND-GJZGRUSLSA-N 1 2 349.381 2.303 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC1(F)F ZINC001038394173 681476232 /nfs/dbraw/zinc/47/62/32/681476232.db2.gz FJUUDGXRYINOND-GJZGRUSLSA-N 1 2 349.381 2.303 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]([C@H](C)c3csnn3)C2)cc1 ZINC001028731151 682027516 /nfs/dbraw/zinc/02/75/16/682027516.db2.gz ANKWWEJMXNJTHR-HIFRSBDPSA-N 1 2 340.452 2.332 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@H](C)c3csnn3)C2)cc1 ZINC001028731151 682027521 /nfs/dbraw/zinc/02/75/21/682027521.db2.gz ANKWWEJMXNJTHR-HIFRSBDPSA-N 1 2 340.452 2.332 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ncnn1C ZINC001025260358 682351950 /nfs/dbraw/zinc/35/19/50/682351950.db2.gz WOZXBJHPYHNGQS-JKSUJKDBSA-N 1 2 345.491 2.373 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ncnn1C ZINC001025260358 682351956 /nfs/dbraw/zinc/35/19/56/682351956.db2.gz WOZXBJHPYHNGQS-JKSUJKDBSA-N 1 2 345.491 2.373 20 30 EEEDLO Cc1nsc(N2CC[NH+](Cc3cn(C)nc3C3CC3)CC2)c1C#N ZINC000894544046 682962767 /nfs/dbraw/zinc/96/27/67/682962767.db2.gz IPEQUHPNNVPCDM-UHFFFAOYSA-N 1 2 342.472 2.256 20 30 EEEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000914206116 683367563 /nfs/dbraw/zinc/36/75/63/683367563.db2.gz IGLARBLLJQCVRQ-WMLDXEAASA-N 1 2 330.432 2.029 20 30 EEEDLO CCc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)[nH]n1 ZINC001029218020 683559860 /nfs/dbraw/zinc/55/98/60/683559860.db2.gz AIUGIKJEONYXLG-KDURUIRLSA-N 1 2 348.450 2.313 20 30 EEEDLO CCc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)[nH]n1 ZINC001029218020 683559864 /nfs/dbraw/zinc/55/98/64/683559864.db2.gz AIUGIKJEONYXLG-KDURUIRLSA-N 1 2 348.450 2.313 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C)C1 ZINC001026085976 683824065 /nfs/dbraw/zinc/82/40/65/683824065.db2.gz XXIIYWXSCUHAEW-NGBXAZJTSA-N 1 2 327.266 2.378 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C)C1 ZINC001026085976 683824074 /nfs/dbraw/zinc/82/40/74/683824074.db2.gz XXIIYWXSCUHAEW-NGBXAZJTSA-N 1 2 327.266 2.378 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](NC(=O)C(C)C)[C@H]2C)c1 ZINC000993068936 683831862 /nfs/dbraw/zinc/83/18/62/683831862.db2.gz JSVLLROFROJNTJ-QAPCUYQASA-N 1 2 341.455 2.232 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](NC(=O)C(C)C)[C@H]2C)c1 ZINC000993068936 683831868 /nfs/dbraw/zinc/83/18/68/683831868.db2.gz JSVLLROFROJNTJ-QAPCUYQASA-N 1 2 341.455 2.232 20 30 EEEDLO 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/nfs/dbraw/zinc/69/70/39/684697039.db2.gz OSEJBYDTAGWVAQ-FCEWJHQRSA-N 1 2 345.491 2.384 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)nnn1CC ZINC001029453242 684697041 /nfs/dbraw/zinc/69/70/41/684697041.db2.gz OSEJBYDTAGWVAQ-FCEWJHQRSA-N 1 2 345.491 2.384 20 30 EEEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000137653575 684709599 /nfs/dbraw/zinc/70/95/99/684709599.db2.gz ORKFLHHKKYGTSK-UHFFFAOYSA-N 1 2 336.754 2.344 20 30 EEEDLO CCn1c[nH+]c2c1CCN(c1ncc(C#N)cc1Br)C2 ZINC000896654294 685156167 /nfs/dbraw/zinc/15/61/67/685156167.db2.gz NSMMIWSIVIURKH-UHFFFAOYSA-N 1 2 332.205 2.495 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)nn2C)C(C)(C)C1 ZINC000974641933 685160750 /nfs/dbraw/zinc/16/07/50/685160750.db2.gz KJMDTAKIUCPGOZ-OAHLLOKOSA-N 1 2 336.867 2.490 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)nn2C)C(C)(C)C1 ZINC000974641933 685160752 /nfs/dbraw/zinc/16/07/52/685160752.db2.gz KJMDTAKIUCPGOZ-OAHLLOKOSA-N 1 2 336.867 2.490 20 30 EEEDLO 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C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccns3)CC2(C)C)nc1 ZINC000977526061 692721801 /nfs/dbraw/zinc/72/18/01/692721801.db2.gz ONEHEOWBDUDDIM-MRXNPFEDSA-N 1 2 340.452 2.160 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccns3)CC2(C)C)nc1 ZINC000977526061 692721806 /nfs/dbraw/zinc/72/18/06/692721806.db2.gz ONEHEOWBDUDDIM-MRXNPFEDSA-N 1 2 340.452 2.160 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cn(CC)nn2)C1 ZINC001027559544 692999126 /nfs/dbraw/zinc/99/91/26/692999126.db2.gz ASQQIHWNEJXHGC-AEFFLSMTSA-N 1 2 333.480 2.323 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]([N@H+](C)Cc2cn(CC)nn2)C1 ZINC001027559544 692999130 /nfs/dbraw/zinc/99/91/30/692999130.db2.gz ASQQIHWNEJXHGC-AEFFLSMTSA-N 1 2 333.480 2.323 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@@H+](C)[C@@H](C)c3nnc(C)[nH]3)C2)C1 ZINC001027566775 693073166 /nfs/dbraw/zinc/07/31/66/693073166.db2.gz MIUAJECNFZLEJB-DZGCQCFKSA-N 1 2 331.464 2.453 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H](C)c3nnc(C)[nH]3)C2)C1 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/nfs/dbraw/zinc/95/39/29/1186953929.db2.gz URVXRCAUGRLLBX-HIFRSBDPSA-N 1 2 345.443 2.183 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3noc4c3COCC4)[C@@H]2C)C1 ZINC001088844519 1186953933 /nfs/dbraw/zinc/95/39/33/1186953933.db2.gz URVXRCAUGRLLBX-HIFRSBDPSA-N 1 2 345.443 2.183 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cccc(Cl)n1 ZINC001088533221 1187174818 /nfs/dbraw/zinc/17/48/18/1187174818.db2.gz GFZWJHXHTMHEQO-ABAIWWIYSA-N 1 2 343.818 2.328 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1cccc(Cl)n1 ZINC001088533221 1187174821 /nfs/dbraw/zinc/17/48/21/1187174821.db2.gz GFZWJHXHTMHEQO-ABAIWWIYSA-N 1 2 343.818 2.328 20 30 EEEDLO Cc1cc(F)ccc1C[N@@H+]1CCO[C@](C)(CNC(=O)C#CC2CC2)C1 ZINC001107932056 1193478866 /nfs/dbraw/zinc/47/88/66/1193478866.db2.gz FGJFRJNRFGNJSR-HXUWFJFHSA-N 1 2 344.430 2.255 20 30 EEEDLO Cc1cc(F)ccc1C[N@H+]1CCO[C@](C)(CNC(=O)C#CC2CC2)C1 ZINC001107932056 1193478869 /nfs/dbraw/zinc/47/88/69/1193478869.db2.gz 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C[C@@H]1[C@@H](NC(=O)c2[nH]nc3c2CCC3)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001088697808 1188298088 /nfs/dbraw/zinc/29/80/88/1188298088.db2.gz KZXZIMMUAQGZJS-DYVFJYSZSA-N 1 2 349.438 2.163 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2[nH]nc3c2CCC3)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088697808 1188298090 /nfs/dbraw/zinc/29/80/90/1188298090.db2.gz KZXZIMMUAQGZJS-DYVFJYSZSA-N 1 2 349.438 2.163 20 30 EEEDLO CCn1ccnc1C[N@@H+]1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001272828015 1193566433 /nfs/dbraw/zinc/56/64/33/1193566433.db2.gz DDSXJWKMKSFFAL-SFHVURJKSA-N 1 2 329.448 2.164 20 30 EEEDLO CCn1ccnc1C[N@H+]1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001272828015 1193566434 /nfs/dbraw/zinc/56/64/34/1193566434.db2.gz DDSXJWKMKSFFAL-SFHVURJKSA-N 1 2 329.448 2.164 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3nn(C)cc32)[C@H]1C ZINC001088819952 1188583069 /nfs/dbraw/zinc/58/30/69/1188583069.db2.gz AXDXBFKHMOBUMI-IPYPFGDCSA-N 1 2 336.867 2.172 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3nn(C)cc32)[C@H]1C ZINC001088819952 1188583072 /nfs/dbraw/zinc/58/30/72/1188583072.db2.gz AXDXBFKHMOBUMI-IPYPFGDCSA-N 1 2 336.867 2.172 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3cncc(Cl)c3)C2)OCC1=O ZINC001272857391 1193579605 /nfs/dbraw/zinc/57/96/05/1193579605.db2.gz WIPWNCLFGJJYKN-KRWDZBQOSA-N 1 2 335.835 2.114 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3cncc(Cl)c3)C2)OCC1=O ZINC001272857391 1193579607 /nfs/dbraw/zinc/57/96/07/1193579607.db2.gz WIPWNCLFGJJYKN-KRWDZBQOSA-N 1 2 335.835 2.114 20 30 EEEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O)C1CCCC1 ZINC001076669397 1189093373 /nfs/dbraw/zinc/09/33/73/1189093373.db2.gz YWXAGQHRATWHIH-QZTJIDSGSA-N 1 2 346.858 2.043 20 30 EEEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O)C1CCCC1 ZINC001076669397 1189093376 /nfs/dbraw/zinc/09/33/76/1189093376.db2.gz YWXAGQHRATWHIH-QZTJIDSGSA-N 1 2 346.858 2.043 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001076711970 1189121998 /nfs/dbraw/zinc/12/19/98/1189121998.db2.gz PXGDQGRBKWPFDL-KBPBESRZSA-N 1 2 334.464 2.202 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001076711970 1189122002 /nfs/dbraw/zinc/12/20/02/1189122002.db2.gz PXGDQGRBKWPFDL-KBPBESRZSA-N 1 2 334.464 2.202 20 30 EEEDLO C=CCN1C(=O)COCC12C[NH+](Cc1ccc(OCCCC)cc1)C2 ZINC001272918156 1193603695 /nfs/dbraw/zinc/60/36/95/1193603695.db2.gz FDKITZSPMCMJMT-UHFFFAOYSA-N 1 2 344.455 2.465 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001077140248 1189355325 /nfs/dbraw/zinc/35/53/25/1189355325.db2.gz GEYFVEMELWQGCX-NUEKZKHPSA-N 1 2 344.459 2.271 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001077140248 1189355328 /nfs/dbraw/zinc/35/53/28/1189355328.db2.gz GEYFVEMELWQGCX-NUEKZKHPSA-N 1 2 344.459 2.271 20 30 EEEDLO N#Cc1sccc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000905395896 1189718480 /nfs/dbraw/zinc/71/84/80/1189718480.db2.gz PPNWBNHVTDXZEK-HNNXBMFYSA-N 1 2 341.436 2.251 20 30 EEEDLO N#Cc1sccc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000905395896 1189718482 /nfs/dbraw/zinc/71/84/82/1189718482.db2.gz PPNWBNHVTDXZEK-HNNXBMFYSA-N 1 2 341.436 2.251 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1-n1cccn1 ZINC001017994768 1224188560 /nfs/dbraw/zinc/18/85/60/1224188560.db2.gz FAKXBEYRCYJFRO-CALCHBBNSA-N 1 2 334.423 2.184 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1-n1cccn1 ZINC001017994768 1224188564 /nfs/dbraw/zinc/18/85/64/1224188564.db2.gz FAKXBEYRCYJFRO-CALCHBBNSA-N 1 2 334.423 2.184 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2CCN(CC(F)F)CC2)C1 ZINC001033363328 1194476935 /nfs/dbraw/zinc/47/69/35/1194476935.db2.gz SGWJMHORCDHDIC-AWEZNQCLSA-N 1 2 349.853 2.249 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2CCN(CC(F)F)CC2)C1 ZINC001033363328 1194476936 /nfs/dbraw/zinc/47/69/36/1194476936.db2.gz SGWJMHORCDHDIC-AWEZNQCLSA-N 1 2 349.853 2.249 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(CCC(C)C)nn2)C1 ZINC001033409103 1194527298 /nfs/dbraw/zinc/52/72/98/1194527298.db2.gz HZWGKUWXMSUMRD-CQSZACIVSA-N 1 2 339.871 2.223 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn(CCC(C)C)nn2)C1 ZINC001033409103 1194527295 /nfs/dbraw/zinc/52/72/95/1194527295.db2.gz HZWGKUWXMSUMRD-CQSZACIVSA-N 1 2 339.871 2.223 20 30 EEEDLO CCc1ncoc1C(=O)N(C)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033402663 1194545645 /nfs/dbraw/zinc/54/56/45/1194545645.db2.gz FCCVUWKTBGFWDU-QGZVFWFLSA-N 1 2 337.423 2.435 20 30 EEEDLO CCc1ncoc1C(=O)N(C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033402663 1194545646 /nfs/dbraw/zinc/54/56/46/1194545646.db2.gz FCCVUWKTBGFWDU-QGZVFWFLSA-N 1 2 337.423 2.435 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001033434867 1194555473 /nfs/dbraw/zinc/55/54/73/1194555473.db2.gz GCKYOKFYEMQCBH-KURKYZTESA-N 1 2 346.475 2.088 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001033434867 1194555476 /nfs/dbraw/zinc/55/54/76/1194555476.db2.gz GCKYOKFYEMQCBH-KURKYZTESA-N 1 2 346.475 2.088 20 30 EEEDLO CCn1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001033472205 1194629746 /nfs/dbraw/zinc/62/97/46/1194629746.db2.gz UBDOBOARRCNFGH-KRWDZBQOSA-N 1 2 337.427 2.121 20 30 EEEDLO CCn1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001033472205 1194629750 /nfs/dbraw/zinc/62/97/50/1194629750.db2.gz UBDOBOARRCNFGH-KRWDZBQOSA-N 1 2 337.427 2.121 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)c2c[nH]c(C)n2)CC1 ZINC001005187816 1194679312 /nfs/dbraw/zinc/67/93/12/1194679312.db2.gz OBFCEZQEEZMHKM-UHFFFAOYSA-N 1 2 341.253 2.163 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]2C)CC1 ZINC001005241163 1194968932 /nfs/dbraw/zinc/96/89/32/1194968932.db2.gz FDPRTOLCBFTAHA-GOEBONIOSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]cc2C)C1 ZINC001033654659 1195005419 /nfs/dbraw/zinc/00/54/19/1195005419.db2.gz DALOLBMGVKPBTM-GFCCVEGCSA-N 1 2 326.238 2.378 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]cc2C)C1 ZINC001033654659 1195005423 /nfs/dbraw/zinc/00/54/23/1195005423.db2.gz DALOLBMGVKPBTM-GFCCVEGCSA-N 1 2 326.238 2.378 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001033807855 1195291530 /nfs/dbraw/zinc/29/15/30/1195291530.db2.gz ZQHTYCHVMYHRKM-INIZCTEOSA-N 1 2 341.415 2.228 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001033807855 1195291533 /nfs/dbraw/zinc/29/15/33/1195291533.db2.gz ZQHTYCHVMYHRKM-INIZCTEOSA-N 1 2 341.415 2.228 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3nnc(C)n3c2)C1 ZINC001033877346 1195415224 /nfs/dbraw/zinc/41/52/24/1195415224.db2.gz DUXJHWYPQODXHQ-OAHLLOKOSA-N 1 2 347.850 2.327 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3nnc(C)n3c2)C1 ZINC001033877346 1195415226 /nfs/dbraw/zinc/41/52/26/1195415226.db2.gz DUXJHWYPQODXHQ-OAHLLOKOSA-N 1 2 347.850 2.327 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2coc(OCC)n2)C1 ZINC001033884446 1195444060 /nfs/dbraw/zinc/44/40/60/1195444060.db2.gz ZPKOGFUHYFFLPT-GFCCVEGCSA-N 1 2 327.812 2.362 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2coc(OCC)n2)C1 ZINC001033884446 1195444057 /nfs/dbraw/zinc/44/40/57/1195444057.db2.gz ZPKOGFUHYFFLPT-GFCCVEGCSA-N 1 2 327.812 2.362 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](Cc3cscn3)C2)[nH]1 ZINC001034165805 1195885046 /nfs/dbraw/zinc/88/50/46/1195885046.db2.gz QJWZHRINOPNFFW-ZDUSSCGKSA-N 1 2 329.429 2.127 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](Cc3cscn3)C2)[nH]1 ZINC001034165805 1195885049 /nfs/dbraw/zinc/88/50/49/1195885049.db2.gz QJWZHRINOPNFFW-ZDUSSCGKSA-N 1 2 329.429 2.127 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cn(C(C)C)nn2)C1 ZINC001034461540 1196240779 /nfs/dbraw/zinc/24/07/79/1196240779.db2.gz DFRKQNCYBWUCHT-CYBMUJFWSA-N 1 2 325.844 2.196 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cn(C(C)C)nn2)C1 ZINC001034461540 1196240781 /nfs/dbraw/zinc/24/07/81/1196240781.db2.gz DFRKQNCYBWUCHT-CYBMUJFWSA-N 1 2 325.844 2.196 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnc3c(cnn3C)c2)C1 ZINC001034457492 1196258097 /nfs/dbraw/zinc/25/80/97/1196258097.db2.gz DUQURRNXZXJEFE-OAHLLOKOSA-N 1 2 347.850 2.305 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnc3c(cnn3C)c2)C1 ZINC001034457492 1196258099 /nfs/dbraw/zinc/25/80/99/1196258099.db2.gz DUQURRNXZXJEFE-OAHLLOKOSA-N 1 2 347.850 2.305 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)[C@](C)(CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001090253584 1196641848 /nfs/dbraw/zinc/64/18/48/1196641848.db2.gz IHUSVGOYPPPAEE-FZKQIMNGSA-N 1 2 346.479 2.109 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(OC2CCC2)c1 ZINC001018121018 1224360585 /nfs/dbraw/zinc/36/05/85/1224360585.db2.gz BSBQSYDIPYBBQE-CALCHBBNSA-N 1 2 339.439 2.325 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(OC2CCC2)c1 ZINC001018121018 1224360596 /nfs/dbraw/zinc/36/05/96/1224360596.db2.gz BSBQSYDIPYBBQE-CALCHBBNSA-N 1 2 339.439 2.325 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nc1OCCC 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KDWUQZKYCDBJCD-UXLLHSPISA-N 1 2 330.403 2.292 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)Oc1ccccc1F ZINC001018174999 1224427953 /nfs/dbraw/zinc/42/79/53/1224427953.db2.gz KDWUQZKYCDBJCD-UXLLHSPISA-N 1 2 330.403 2.292 20 30 EEEDLO C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1Nc1ccc(C#N)cn1 ZINC001067222003 1224446555 /nfs/dbraw/zinc/44/65/55/1224446555.db2.gz AHALHOWZQFNTHL-SJCJKPOMSA-N 1 2 346.394 2.402 20 30 EEEDLO C=CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3csc(Cl)n3)C2)C1=O ZINC001273272086 1197934473 /nfs/dbraw/zinc/93/44/73/1197934473.db2.gz WRAKUVGZMCTBTP-HNNXBMFYSA-N 1 2 339.848 2.324 20 30 EEEDLO C=CCN1C(=O)C[C@]2(CCC[N@H+](Cc3csc(Cl)n3)C2)C1=O ZINC001273272086 1197934480 /nfs/dbraw/zinc/93/44/80/1197934480.db2.gz WRAKUVGZMCTBTP-HNNXBMFYSA-N 1 2 339.848 2.324 20 30 EEEDLO C=CCN(C)C(=O)C(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC000872808867 1198397202 /nfs/dbraw/zinc/39/72/02/1198397202.db2.gz DRHZZJLNHWWYFK-QGZVFWFLSA-N 1 2 347.434 2.065 20 30 EEEDLO 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340.452 2.199 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCc2c[nH]nc21 ZINC000948915827 1209450914 /nfs/dbraw/zinc/45/09/14/1209450914.db2.gz FXCWRIRWVMOYNL-RBUKOAKNSA-N 1 2 348.450 2.178 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCc2c[nH]nc21 ZINC000948915827 1209450916 /nfs/dbraw/zinc/45/09/16/1209450916.db2.gz FXCWRIRWVMOYNL-RBUKOAKNSA-N 1 2 348.450 2.178 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1OCC[C@H]1CC ZINC000948927796 1209456999 /nfs/dbraw/zinc/45/69/99/1209456999.db2.gz FBBDHOATMKCNQM-MNEFBYGVSA-N 1 2 326.440 2.150 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1OCC[C@H]1CC ZINC000948927796 1209457001 /nfs/dbraw/zinc/45/70/01/1209457001.db2.gz FBBDHOATMKCNQM-MNEFBYGVSA-N 1 2 326.440 2.150 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnn2c1CCCC2 ZINC000948978422 1209485317 /nfs/dbraw/zinc/48/53/17/1209485317.db2.gz MCDIGJRLJOUAJL-FQEVSTJZSA-N 1 2 348.450 2.182 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnn2c1CCCC2 ZINC000948978422 1209485319 /nfs/dbraw/zinc/48/53/19/1209485319.db2.gz MCDIGJRLJOUAJL-FQEVSTJZSA-N 1 2 348.450 2.182 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(F)ccc3CC)CC2)C1 ZINC000949405969 1209670634 /nfs/dbraw/zinc/67/06/34/1209670634.db2.gz OUJPFSSPLMVUMC-UHFFFAOYSA-N 1 2 344.430 2.328 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc(F)ccc3CC)CC2)C1 ZINC000949405969 1209670635 /nfs/dbraw/zinc/67/06/35/1209670635.db2.gz OUJPFSSPLMVUMC-UHFFFAOYSA-N 1 2 344.430 2.328 20 30 EEEDLO CCN(C(=O)c1ccc[nH]1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000949668077 1209783613 /nfs/dbraw/zinc/78/36/13/1209783613.db2.gz UAHTUCILLHTYIG-UHFFFAOYSA-N 1 2 338.411 2.264 20 30 EEEDLO CC(C)n1cnc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)c1 ZINC001015389316 1225184599 /nfs/dbraw/zinc/18/45/99/1225184599.db2.gz PGWCVBXSJXXTCE-GOSISDBHSA-N 1 2 336.439 2.320 20 30 EEEDLO CC(C)n1cnc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC001015389316 1225184603 /nfs/dbraw/zinc/18/46/03/1225184603.db2.gz PGWCVBXSJXXTCE-GOSISDBHSA-N 1 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ZINC001015678927 1225542035 /nfs/dbraw/zinc/54/20/35/1225542035.db2.gz QNEWHKNDIIMWDC-INIZCTEOSA-N 1 2 341.361 2.345 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(F)c3F)C2)c1 ZINC001015678927 1225542042 /nfs/dbraw/zinc/54/20/42/1225542042.db2.gz QNEWHKNDIIMWDC-INIZCTEOSA-N 1 2 341.361 2.345 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001114679938 1214894511 /nfs/dbraw/zinc/89/45/11/1214894511.db2.gz CFCUZQGVFIEXFV-PIIMJCKOSA-N 1 2 342.487 2.368 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc4n(n3)CCCC4)C[C@H]21 ZINC001114679938 1214894516 /nfs/dbraw/zinc/89/45/16/1214894516.db2.gz CFCUZQGVFIEXFV-PIIMJCKOSA-N 1 2 342.487 2.368 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000957160683 1214898419 /nfs/dbraw/zinc/89/84/19/1214898419.db2.gz XDOANXRQPIQLRX-PJIJBLCYSA-N 1 2 344.459 2.223 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000957160683 1214898426 /nfs/dbraw/zinc/89/84/26/1214898426.db2.gz XDOANXRQPIQLRX-PJIJBLCYSA-N 1 2 344.459 2.223 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3cccc(N(C)C)c3)CC2)cn1 ZINC000957378901 1215088690 /nfs/dbraw/zinc/08/86/90/1215088690.db2.gz NSNMUGUJRWOHAH-UHFFFAOYSA-N 1 2 348.450 2.087 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CCC)OCC ZINC001114720604 1215107008 /nfs/dbraw/zinc/10/70/08/1215107008.db2.gz ZIWHBASWSPQLDG-RQJABVFESA-N 1 2 345.281 2.147 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CCC)OCC ZINC001114720604 1215107009 /nfs/dbraw/zinc/10/70/09/1215107009.db2.gz ZIWHBASWSPQLDG-RQJABVFESA-N 1 2 345.281 2.147 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)c4nnc(C)o4)C[C@H]32)CCC1 ZINC001114782732 1215284568 /nfs/dbraw/zinc/28/45/68/1215284568.db2.gz FCJBMBAVSNTFLJ-RZFFKMDDSA-N 1 2 330.432 2.232 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)c4nnc(C)o4)C[C@H]32)CCC1 ZINC001114782732 1215284570 /nfs/dbraw/zinc/28/45/70/1215284570.db2.gz FCJBMBAVSNTFLJ-RZFFKMDDSA-N 1 2 330.432 2.232 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001114807122 1215410790 /nfs/dbraw/zinc/41/07/90/1215410790.db2.gz NSJIYCBEKZRYMV-KKUMJFAQSA-N 1 2 346.479 2.155 20 30 EEEDLO Cc1occc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC000958188629 1215602849 /nfs/dbraw/zinc/60/28/49/1215602849.db2.gz GXFBYMRHJPIZFV-PIIMJCKOSA-N 1 2 339.370 2.459 20 30 EEEDLO Cc1occc1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC000958188629 1215602852 /nfs/dbraw/zinc/60/28/52/1215602852.db2.gz GXFBYMRHJPIZFV-PIIMJCKOSA-N 1 2 339.370 2.459 20 30 EEEDLO CC1(C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC000958593318 1215786332 /nfs/dbraw/zinc/78/63/32/1215786332.db2.gz FEQFYNYLRCBNEF-TWMKSMIVSA-N 1 2 327.403 2.290 20 30 EEEDLO CC1(C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC000958593318 1215786334 /nfs/dbraw/zinc/78/63/34/1215786334.db2.gz FEQFYNYLRCBNEF-TWMKSMIVSA-N 1 2 327.403 2.290 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1nccs1 ZINC000960884939 1216961024 /nfs/dbraw/zinc/96/10/24/1216961024.db2.gz SQFAXGGTSRHQMW-ZNMIVQPWSA-N 1 2 335.473 2.157 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1nccs1 ZINC000960884939 1216961028 /nfs/dbraw/zinc/96/10/28/1216961028.db2.gz SQFAXGGTSRHQMW-ZNMIVQPWSA-N 1 2 335.473 2.157 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001015827849 1225716135 /nfs/dbraw/zinc/71/61/35/1225716135.db2.gz VTAFLXOTNCUYPE-VYDXJSESSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001015827849 1225716139 /nfs/dbraw/zinc/71/61/39/1225716139.db2.gz VTAFLXOTNCUYPE-VYDXJSESSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)[nH]c1C ZINC000961915233 1217399912 /nfs/dbraw/zinc/39/99/12/1217399912.db2.gz TURAEFAPIDVBTR-WDNDVIMCSA-N 1 2 338.249 2.200 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)[nH]c1C ZINC000961915233 1217399907 /nfs/dbraw/zinc/39/99/07/1217399907.db2.gz TURAEFAPIDVBTR-WDNDVIMCSA-N 1 2 338.249 2.200 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cnn3ccccc23)C1 ZINC001015864066 1225762595 /nfs/dbraw/zinc/76/25/95/1225762595.db2.gz QBVGOLHUEPEFBB-QGZVFWFLSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cnn3ccccc23)C1 ZINC001015864066 1225762603 /nfs/dbraw/zinc/76/26/03/1225762603.db2.gz QBVGOLHUEPEFBB-QGZVFWFLSA-N 1 2 345.406 2.210 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c(C)n1 ZINC001015868423 1225768587 /nfs/dbraw/zinc/76/85/87/1225768587.db2.gz WGBUJXXEVKVLAS-CYBMUJFWSA-N 1 2 341.440 2.031 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c(C)n1 ZINC001015868423 1225768589 /nfs/dbraw/zinc/76/85/89/1225768589.db2.gz WGBUJXXEVKVLAS-CYBMUJFWSA-N 1 2 341.440 2.031 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001015935402 1225853125 /nfs/dbraw/zinc/85/31/25/1225853125.db2.gz YULUAYMGYGRPHM-MRXNPFEDSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001015935402 1225853130 /nfs/dbraw/zinc/85/31/30/1225853130.db2.gz YULUAYMGYGRPHM-MRXNPFEDSA-N 1 2 343.814 2.492 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1ccon1 ZINC000965290435 1219008727 /nfs/dbraw/zinc/00/87/27/1219008727.db2.gz IVBVOQMQZZKKRQ-YVEFUNNKSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1ccon1 ZINC000965290435 1219008732 /nfs/dbraw/zinc/00/87/32/1219008732.db2.gz IVBVOQMQZZKKRQ-YVEFUNNKSA-N 1 2 342.374 2.326 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C3CC3)n(C)n2)C1 ZINC000966567240 1219852072 /nfs/dbraw/zinc/85/20/72/1219852072.db2.gz QXDSQONPAYPTMN-NHYWBVRUSA-N 1 2 336.867 2.490 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C3CC3)n(C)n2)C1 ZINC000966567240 1219852077 /nfs/dbraw/zinc/85/20/77/1219852077.db2.gz 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C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3nnn(C)c3c2)C1 ZINC000968591687 1221424866 /nfs/dbraw/zinc/42/48/66/1221424866.db2.gz DBSAXZZVUOERQM-ABAIWWIYSA-N 1 2 347.850 2.161 20 30 EEEDLO CCc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)[nH]n1 ZINC001006798737 1221949520 /nfs/dbraw/zinc/94/95/20/1221949520.db2.gz PWQYXBFSDHOTFL-KRWDZBQOSA-N 1 2 337.427 2.238 20 30 EEEDLO CCc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)[nH]n1 ZINC001006798737 1221949525 /nfs/dbraw/zinc/94/95/25/1221949525.db2.gz PWQYXBFSDHOTFL-KRWDZBQOSA-N 1 2 337.427 2.238 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)[nH]n1 ZINC001006847592 1221976946 /nfs/dbraw/zinc/97/69/46/1221976946.db2.gz UDEOLZPTFMXMQS-KRWDZBQOSA-N 1 2 340.402 2.103 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)[nH]n1 ZINC001006847592 1221976951 /nfs/dbraw/zinc/97/69/51/1221976951.db2.gz UDEOLZPTFMXMQS-KRWDZBQOSA-N 1 2 340.402 2.103 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3nc4ccccc4o3)C2)c[nH]1 ZINC001007133437 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CCn1cnc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001009231360 1223183217 /nfs/dbraw/zinc/18/32/17/1223183217.db2.gz KFNITVFRJAUTQW-CYBMUJFWSA-N 1 2 343.456 2.231 20 30 EEEDLO CCn1cnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001009231360 1223183219 /nfs/dbraw/zinc/18/32/19/1223183219.db2.gz KFNITVFRJAUTQW-CYBMUJFWSA-N 1 2 343.456 2.231 20 30 EEEDLO Cc1ccncc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001010426914 1223715675 /nfs/dbraw/zinc/71/56/75/1223715675.db2.gz HANXTQXOBAMLGY-ZDUSSCGKSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1ccncc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001010426914 1223715676 /nfs/dbraw/zinc/71/56/76/1223715676.db2.gz HANXTQXOBAMLGY-ZDUSSCGKSA-N 1 2 326.425 2.328 20 30 EEEDLO Cn1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001010561239 1223782864 /nfs/dbraw/zinc/78/28/64/1223782864.db2.gz LIMWHDCSGJOLLI-INIZCTEOSA-N 1 2 326.375 2.040 20 30 EEEDLO Cn1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001010561239 1223782867 /nfs/dbraw/zinc/78/28/67/1223782867.db2.gz LIMWHDCSGJOLLI-INIZCTEOSA-N 1 2 326.375 2.040 20 30 EEEDLO Cc1ccn(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010771047 1223899593 /nfs/dbraw/zinc/89/95/93/1223899593.db2.gz SKPIXYKVTBZOHV-INIZCTEOSA-N 1 2 340.402 2.349 20 30 EEEDLO Cc1ccn(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010771047 1223899594 /nfs/dbraw/zinc/89/95/94/1223899594.db2.gz SKPIXYKVTBZOHV-INIZCTEOSA-N 1 2 340.402 2.349 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2C(=O)Nc3ccccc32)C1 ZINC001016390577 1226428199 /nfs/dbraw/zinc/42/81/99/1226428199.db2.gz AGNQUFHHMDAJQR-TZMCWYRMSA-N 1 2 333.819 2.055 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2C(=O)Nc3ccccc32)C1 ZINC001016390577 1226428202 /nfs/dbraw/zinc/42/82/02/1226428202.db2.gz AGNQUFHHMDAJQR-TZMCWYRMSA-N 1 2 333.819 2.055 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(NC(=O)Cc3[nH]c[nH+]c3C)CCC[C@H]12 ZINC001014370684 1226535943 /nfs/dbraw/zinc/53/59/43/1226535943.db2.gz OBCCUMOTGDZPRD-HNAYVOBHSA-N 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N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](Cc2ccc(C#N)cc2)C3)c[nH]1 ZINC001017489742 1227462866 /nfs/dbraw/zinc/46/28/66/1227462866.db2.gz AWQXHGQJTORJNL-KDURUIRLSA-N 1 2 345.406 2.247 20 30 EEEDLO N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](Cc2ccc(C#N)cc2)C3)c[nH]1 ZINC001017489742 1227462871 /nfs/dbraw/zinc/46/28/71/1227462871.db2.gz AWQXHGQJTORJNL-KDURUIRLSA-N 1 2 345.406 2.247 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)c2ccc(F)cc12 ZINC001017623035 1227579990 /nfs/dbraw/zinc/57/99/90/1227579990.db2.gz MGBZPGZSCQNOBQ-GASCZTMLSA-N 1 2 325.387 2.239 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)c2ccc(F)cc12 ZINC001017623035 1227579994 /nfs/dbraw/zinc/57/99/94/1227579994.db2.gz MGBZPGZSCQNOBQ-GASCZTMLSA-N 1 2 325.387 2.239 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC001017690521 1227642029 /nfs/dbraw/zinc/64/20/29/1227642029.db2.gz GIBLUCTZOOAGKZ-NXHRZFHOSA-N 1 2 340.471 2.475 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC001017690521 1227642033 /nfs/dbraw/zinc/64/20/33/1227642033.db2.gz GIBLUCTZOOAGKZ-NXHRZFHOSA-N 1 2 340.471 2.475 20 30 EEEDLO C=CCOc1ccccc1C(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001019055009 1228680851 /nfs/dbraw/zinc/68/08/51/1228680851.db2.gz NLZKABJTLAHORB-ZDUSSCGKSA-N 1 2 344.440 2.107 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nc([C@@H](C)OC)no3)C2)CC1 ZINC001019330966 1228997623 /nfs/dbraw/zinc/99/76/23/1228997623.db2.gz FZJCXHVWMMVDSI-HIFRSBDPSA-N 1 2 348.447 2.214 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nc(CCC)no3)C2)CC1 ZINC001019331220 1228997631 /nfs/dbraw/zinc/99/76/31/1228997631.db2.gz NVSZXTHROLMITQ-HNNXBMFYSA-N 1 2 332.448 2.459 20 30 EEEDLO Cc1nc(C)c(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)nc1C ZINC001038493086 1229866822 /nfs/dbraw/zinc/86/68/22/1229866822.db2.gz PQMFUCJZVDDRRM-SFHVURJKSA-N 1 2 349.438 2.278 20 30 EEEDLO Cc1nc(C)c(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)nc1C ZINC001038493086 1229866828 /nfs/dbraw/zinc/86/68/28/1229866828.db2.gz PQMFUCJZVDDRRM-SFHVURJKSA-N 1 2 349.438 2.278 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2coc(C3CC3)n2)c1 ZINC001038779450 1230048012 /nfs/dbraw/zinc/04/80/12/1230048012.db2.gz DWRKIFPHFNWHLZ-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2coc(C3CC3)n2)c1 ZINC001038779450 1230048014 /nfs/dbraw/zinc/04/80/14/1230048014.db2.gz DWRKIFPHFNWHLZ-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC001038789588 1230058705 /nfs/dbraw/zinc/05/87/05/1230058705.db2.gz JHOHGEXPIORQGC-QRVBRYPASA-N 1 2 326.440 2.286 20 30 EEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC001038789588 1230058709 /nfs/dbraw/zinc/05/87/09/1230058709.db2.gz JHOHGEXPIORQGC-QRVBRYPASA-N 1 2 326.440 2.286 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccnn1C ZINC001039376428 1230562312 /nfs/dbraw/zinc/56/23/12/1230562312.db2.gz UUBBYRUALUIRAQ-ZNMIVQPWSA-N 1 2 336.867 2.341 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccnn1C ZINC001039376428 1230562316 /nfs/dbraw/zinc/56/23/16/1230562316.db2.gz UUBBYRUALUIRAQ-ZNMIVQPWSA-N 1 2 336.867 2.341 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2cncn2C1 ZINC001039396354 1230578750 /nfs/dbraw/zinc/57/87/50/1230578750.db2.gz MCPUPOSMJDLNKQ-UXLLHSPISA-N 1 2 348.878 2.263 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2cncn2C1 ZINC001039396354 1230578754 /nfs/dbraw/zinc/57/87/54/1230578754.db2.gz MCPUPOSMJDLNKQ-UXLLHSPISA-N 1 2 348.878 2.263 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1nc(C)no1 ZINC001039415415 1230595580 /nfs/dbraw/zinc/59/55/80/1230595580.db2.gz VDJVWBWDXFXBIW-KGLIPLIRSA-N 1 2 338.839 2.128 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1nc(C)no1 ZINC001039415415 1230595584 /nfs/dbraw/zinc/59/55/84/1230595584.db2.gz VDJVWBWDXFXBIW-KGLIPLIRSA-N 1 2 338.839 2.128 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(N)=O)cc1 ZINC001039467943 1230632873 /nfs/dbraw/zinc/63/28/73/1230632873.db2.gz LFYQJZCVRLAFTO-CVEARBPZSA-N 1 2 347.846 2.217 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(N)=O)cc1 ZINC001039467943 1230632875 /nfs/dbraw/zinc/63/28/75/1230632875.db2.gz LFYQJZCVRLAFTO-CVEARBPZSA-N 1 2 347.846 2.217 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(C)CCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001067298897 1230649909 /nfs/dbraw/zinc/64/99/09/1230649909.db2.gz CFYGWLGISNRYEW-SFHVURJKSA-N 1 2 334.464 2.252 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)N(C)C ZINC001039823570 1230836192 /nfs/dbraw/zinc/83/61/92/1230836192.db2.gz SZFOCJRLMVSZAV-HRCADAONSA-N 1 2 335.492 2.131 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N(C)C ZINC001039823570 1230836195 /nfs/dbraw/zinc/83/61/95/1230836195.db2.gz SZFOCJRLMVSZAV-HRCADAONSA-N 1 2 335.492 2.131 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](CNc3cc[nH+]c(C)n3)C2)cn1 ZINC001039875709 1230877969 /nfs/dbraw/zinc/87/79/69/1230877969.db2.gz SGJUJWDGXQPISJ-YOEHRIQHSA-N 1 2 349.438 2.372 20 30 EEEDLO CC(C)c1nnc(C[N@@H+]2CC[C@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)s1 ZINC001041136663 1231449520 /nfs/dbraw/zinc/44/95/20/1231449520.db2.gz NETLCJSOKSORGQ-DYVFJYSZSA-N 1 2 347.488 2.246 20 30 EEEDLO CC(C)c1nnc(C[N@H+]2CC[C@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)s1 ZINC001041136663 1231449521 /nfs/dbraw/zinc/44/95/21/1231449521.db2.gz NETLCJSOKSORGQ-DYVFJYSZSA-N 1 2 347.488 2.246 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@]2(CC[N@H+](Cc3nc(C)no3)C2)C1 ZINC001041626078 1231629776 /nfs/dbraw/zinc/62/97/76/1231629776.db2.gz PCRXVDUKAKRKOZ-ROUUACIJSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@]2(CC[N@@H+](Cc3nc(C)no3)C2)C1 ZINC001041626078 1231629777 /nfs/dbraw/zinc/62/97/77/1231629777.db2.gz PCRXVDUKAKRKOZ-ROUUACIJSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cnon3)[C@@H]2C1 ZINC001042075240 1231870819 /nfs/dbraw/zinc/87/08/19/1231870819.db2.gz BDMJPFPZYYDDSP-TZMCWYRMSA-N 1 2 338.839 2.271 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnon3)[C@@H]2C1 ZINC001042075240 1231870821 /nfs/dbraw/zinc/87/08/21/1231870821.db2.gz BDMJPFPZYYDDSP-TZMCWYRMSA-N 1 2 338.839 2.271 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3ncc(C)cn3)[C@H]2C1 ZINC001042184098 1231942741 /nfs/dbraw/zinc/94/27/41/1231942741.db2.gz UAMTVOKXZBBGJV-HOTGVXAUSA-N 1 2 328.460 2.420 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3ncc(C)cn3)[C@H]2C1 ZINC001042184098 1231942743 /nfs/dbraw/zinc/94/27/43/1231942743.db2.gz UAMTVOKXZBBGJV-HOTGVXAUSA-N 1 2 328.460 2.420 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](C/C=C/c2ccccc2)C1 ZINC001043895634 1232617980 /nfs/dbraw/zinc/61/79/80/1232617980.db2.gz HKJFHRASXSEIRZ-PDBZHATLSA-N 1 2 326.440 2.434 20 30 EEEDLO CC1(NC(=O)c2c[nH]c(C#N)c2)CC[NH+](Cc2nccs2)CC1 ZINC001045411824 1233728841 /nfs/dbraw/zinc/72/88/41/1233728841.db2.gz WPJKAVVAOHTKFJ-UHFFFAOYSA-N 1 2 329.429 2.127 20 30 EEEDLO C=C1CCC(C(=O)NC2(C)CC[NH+](Cc3nncn3C)CC2)CC1 ZINC001045545842 1233807092 /nfs/dbraw/zinc/80/70/92/1233807092.db2.gz MBCPGRWTFNDNGS-UHFFFAOYSA-N 1 2 331.464 2.032 20 30 EEEDLO C#Cc1ccc(C(=O)NC2(C)CC[NH+](Cc3cc(C)on3)CC2)nc1 ZINC001045625901 1233867326 /nfs/dbraw/zinc/86/73/26/1233867326.db2.gz ZCMXEMVEWYAPEM-UHFFFAOYSA-N 1 2 338.411 2.144 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(CC)nn1 ZINC001045826622 1234040927 /nfs/dbraw/zinc/04/09/27/1234040927.db2.gz UZSBDKBRBFKBLZ-SJORKVTESA-N 1 2 345.491 2.466 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(CC)nn1 ZINC001045826622 1234040931 /nfs/dbraw/zinc/04/09/31/1234040931.db2.gz UZSBDKBRBFKBLZ-SJORKVTESA-N 1 2 345.491 2.466 20 30 EEEDLO CC(C)c1cccc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c1 ZINC001046076862 1234411272 /nfs/dbraw/zinc/41/12/72/1234411272.db2.gz HTXGLZLGLIKCQB-LJQANCHMSA-N 1 2 340.471 2.166 20 30 EEEDLO Cc1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)on1 ZINC001046128452 1234472633 /nfs/dbraw/zinc/47/26/33/1234472633.db2.gz LULKNBMXXSVDBE-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)on1 ZINC001046128452 1234472635 /nfs/dbraw/zinc/47/26/35/1234472635.db2.gz LULKNBMXXSVDBE-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO N#C[C@@H]1CN(C(=O)c2c[nH+]ccc2Nc2ccccc2)CCN1C1CC1 ZINC000900672360 1234637011 /nfs/dbraw/zinc/63/70/11/1234637011.db2.gz OCFHVMNXJPNNRN-QGZVFWFLSA-N 1 2 347.422 2.059 20 30 EEEDLO CC(C)SCCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000800867682 1234701304 /nfs/dbraw/zinc/70/13/04/1234701304.db2.gz BYYXTNPRBREBBO-UHFFFAOYSA-N 1 2 337.489 2.297 20 30 EEEDLO Cc1ccn(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(=O)c1C#N ZINC000800866127 1234701332 /nfs/dbraw/zinc/70/13/32/1234701332.db2.gz SYBCACJMDKGFDG-UHFFFAOYSA-N 1 2 326.356 2.069 20 30 EEEDLO Cc1ccn(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(=O)c1C#N ZINC000800866127 1234701335 /nfs/dbraw/zinc/70/13/35/1234701335.db2.gz SYBCACJMDKGFDG-UHFFFAOYSA-N 1 2 326.356 2.069 20 30 EEEDLO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2nccn21 ZINC001413205455 1234743543 /nfs/dbraw/zinc/74/35/43/1234743543.db2.gz MZAHTTFSXYXOIT-XOKHGSTOSA-N 1 2 335.411 2.151 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC=C(Cl)Cl)C1 ZINC001046629620 1235013114 /nfs/dbraw/zinc/01/31/14/1235013114.db2.gz FTMZTCWEQJDYQH-XUJVJEKNSA-N 1 2 333.259 2.477 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001046629620 1235013118 /nfs/dbraw/zinc/01/31/18/1235013118.db2.gz FTMZTCWEQJDYQH-XUJVJEKNSA-N 1 2 333.259 2.477 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001046765086 1235162810 /nfs/dbraw/zinc/16/28/10/1235162810.db2.gz NCWKGWODFHFLLI-KRWDZBQOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001046765086 1235162811 /nfs/dbraw/zinc/16/28/11/1235162811.db2.gz NCWKGWODFHFLLI-KRWDZBQOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC001046923945 1235312477 /nfs/dbraw/zinc/31/24/77/1235312477.db2.gz CPWRUSKDDHVNRK-NSHDSACASA-N 1 2 332.782 2.158 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC001046923945 1235312481 /nfs/dbraw/zinc/31/24/81/1235312481.db2.gz CPWRUSKDDHVNRK-NSHDSACASA-N 1 2 332.782 2.158 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001096183624 1235989808 /nfs/dbraw/zinc/98/98/08/1235989808.db2.gz MWYGZVFKEHDAFN-QYZOEREBSA-N 1 2 348.450 2.413 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001096183624 1235989812 /nfs/dbraw/zinc/98/98/12/1235989812.db2.gz MWYGZVFKEHDAFN-QYZOEREBSA-N 1 2 348.450 2.413 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001047536535 1236163394 /nfs/dbraw/zinc/16/33/94/1236163394.db2.gz YRIRTFBSINMQQH-DZKIICNBSA-N 1 2 344.459 2.050 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)O[C@H]2CC[N@@H+](CCF)C2)cc1 ZINC000802238144 1237150445 /nfs/dbraw/zinc/15/04/45/1237150445.db2.gz FXSZHPARCVEVLC-IRXDYDNUSA-N 1 2 331.391 2.114 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)O[C@H]2CC[N@H+](CCF)C2)cc1 ZINC000802238144 1237150448 /nfs/dbraw/zinc/15/04/48/1237150448.db2.gz FXSZHPARCVEVLC-IRXDYDNUSA-N 1 2 331.391 2.114 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC001096364655 1237710642 /nfs/dbraw/zinc/71/06/42/1237710642.db2.gz LTPXILVRAYTTNV-HNNXBMFYSA-N 1 2 326.444 2.162 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001056479721 1239401642 /nfs/dbraw/zinc/40/16/42/1239401642.db2.gz URISMUKMAPITMG-CABCVRRESA-N 1 2 344.459 2.245 20 30 EEEDLO Cc1nc(NC2CC3(CC(NC(=O)c4cc(C#N)c[nH]4)C3)C2)cc[nH+]1 ZINC001056517150 1239425828 /nfs/dbraw/zinc/42/58/28/1239425828.db2.gz BHCJZEKFKGKARM-UHFFFAOYSA-N 1 2 336.399 2.138 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001056536877 1239434037 /nfs/dbraw/zinc/43/40/37/1239434037.db2.gz BTPTWAFBZDGFIU-SJORKVTESA-N 1 2 344.459 2.291 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001056536877 1239434038 /nfs/dbraw/zinc/43/40/38/1239434038.db2.gz BTPTWAFBZDGFIU-SJORKVTESA-N 1 2 344.459 2.291 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)C[C@@H]2C1 ZINC001048975934 1239635872 /nfs/dbraw/zinc/63/58/72/1239635872.db2.gz AHWGQSMOPFOSDW-GASCZTMLSA-N 1 2 343.475 2.175 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)C[C@@H]2C1 ZINC001048975934 1239635876 /nfs/dbraw/zinc/63/58/76/1239635876.db2.gz AHWGQSMOPFOSDW-GASCZTMLSA-N 1 2 343.475 2.175 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)c2cccn2C)CC1 ZINC001000455642 1240349077 /nfs/dbraw/zinc/34/90/77/1240349077.db2.gz ZKTTZNRWZNJCCR-UHFFFAOYSA-N 1 2 338.249 2.296 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)c2cccn2C)CC1 ZINC001000455642 1240349079 /nfs/dbraw/zinc/34/90/79/1240349079.db2.gz ZKTTZNRWZNJCCR-UHFFFAOYSA-N 1 2 338.249 2.296 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCO1 ZINC001049308741 1240508113 /nfs/dbraw/zinc/50/81/13/1240508113.db2.gz SCERBWVPFLTHPF-MGPQQGTHSA-N 1 2 343.265 2.139 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCO1 ZINC001049308741 1240508117 /nfs/dbraw/zinc/50/81/17/1240508117.db2.gz SCERBWVPFLTHPF-MGPQQGTHSA-N 1 2 343.265 2.139 20 30 EEEDLO N#Cc1ccc(NCC2CC(NC(=O)c3cccc4[nH+]ccn43)C2)nc1 ZINC001067873512 1249836137 /nfs/dbraw/zinc/83/61/37/1249836137.db2.gz KOFIPDHELVTIML-UHFFFAOYSA-N 1 2 346.394 2.221 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCO1 ZINC001049432006 1240895171 /nfs/dbraw/zinc/89/51/71/1240895171.db2.gz SCERBWVPFLTHPF-RDBSUJKOSA-N 1 2 343.265 2.139 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCO1 ZINC001049432006 1240895174 /nfs/dbraw/zinc/89/51/74/1240895174.db2.gz SCERBWVPFLTHPF-RDBSUJKOSA-N 1 2 343.265 2.139 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cnn(C)c2Cl)CC1 ZINC001000851837 1241050193 /nfs/dbraw/zinc/05/01/93/1241050193.db2.gz PAMOOUFPPNSVEG-UHFFFAOYSA-N 1 2 329.231 2.188 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cnn(C)c2Cl)CC1 ZINC001000851837 1241050200 /nfs/dbraw/zinc/05/02/00/1241050200.db2.gz PAMOOUFPPNSVEG-UHFFFAOYSA-N 1 2 329.231 2.188 20 30 EEEDLO CCc1cnc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C#CC2CC2)o1 ZINC001049472697 1241053505 /nfs/dbraw/zinc/05/35/05/1241053505.db2.gz UYIQYCDMCQAEAZ-SJORKVTESA-N 1 2 327.428 2.216 20 30 EEEDLO CCc1cnc(C[N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C#CC2CC2)o1 ZINC001049472697 1241053509 /nfs/dbraw/zinc/05/35/09/1241053509.db2.gz UYIQYCDMCQAEAZ-SJORKVTESA-N 1 2 327.428 2.216 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc2n[nH]nc21 ZINC001049496457 1241126657 /nfs/dbraw/zinc/12/66/57/1241126657.db2.gz BSCFASVUMPSQLN-LSDHHAIUSA-N 1 2 345.834 2.389 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc2n[nH]nc21 ZINC001049496457 1241126660 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C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(OCC)c3)C[C@H]21 ZINC001074347010 1298064507 /nfs/dbraw/zinc/06/45/07/1298064507.db2.gz YAQKNLIZZYRFRV-MOPGFXCFSA-N 1 2 342.439 2.024 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(OCC)c3)C[C@H]21 ZINC001074347010 1298064515 /nfs/dbraw/zinc/06/45/15/1298064515.db2.gz YAQKNLIZZYRFRV-MOPGFXCFSA-N 1 2 342.439 2.024 20 30 EEEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3csc(Cl)n3)C[C@H]21 ZINC001074374457 1298082712 /nfs/dbraw/zinc/08/27/12/1298082712.db2.gz ITOCUVNSKNGYGR-OLZOCXBDSA-N 1 2 341.864 2.288 20 30 EEEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3csc(Cl)n3)C[C@H]21 ZINC001074374457 1298082728 /nfs/dbraw/zinc/08/27/28/1298082728.db2.gz ITOCUVNSKNGYGR-OLZOCXBDSA-N 1 2 341.864 2.288 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3c(C)noc3C)C[C@@H]21 ZINC001074408471 1298101838 /nfs/dbraw/zinc/10/18/38/1298101838.db2.gz WTAPIVRIGLVUFV-ZWKOTPCHSA-N 1 2 347.459 2.102 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3c(C)noc3C)C[C@@H]21 ZINC001074408471 1298101839 /nfs/dbraw/zinc/10/18/39/1298101839.db2.gz WTAPIVRIGLVUFV-ZWKOTPCHSA-N 1 2 347.459 2.102 20 30 EEEDLO CCC(CC)[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001219915194 1298180029 /nfs/dbraw/zinc/18/00/29/1298180029.db2.gz BZHCESFXOCSYTA-JLZZUVOBSA-N 1 2 349.500 2.353 20 30 EEEDLO CCC(CC)[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001219915194 1298180037 /nfs/dbraw/zinc/18/00/37/1298180037.db2.gz BZHCESFXOCSYTA-JLZZUVOBSA-N 1 2 349.500 2.353 20 30 EEEDLO CC(C)[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220455883 1298417251 /nfs/dbraw/zinc/41/72/51/1298417251.db2.gz ULFXZDSVSISPKO-OLMNPRSZSA-N 1 2 348.874 2.145 20 30 EEEDLO CC(C)[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC001220455883 1298417255 /nfs/dbraw/zinc/41/72/55/1298417255.db2.gz ULFXZDSVSISPKO-OLMNPRSZSA-N 1 2 348.874 2.145 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001098579247 1298634889 /nfs/dbraw/zinc/63/48/89/1298634889.db2.gz RJJUDUKCUCKANE-CQSZACIVSA-N 1 2 346.479 2.109 20 30 EEEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O)c1ccccc1 ZINC001221042418 1298638527 /nfs/dbraw/zinc/63/85/27/1298638527.db2.gz KDLGDJPIPNSUNZ-CMPDVRHESA-N 1 2 334.847 2.260 20 30 EEEDLO C=C[C@H](CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O)c1ccccc1 ZINC001221042418 1298638537 /nfs/dbraw/zinc/63/85/37/1298638537.db2.gz KDLGDJPIPNSUNZ-CMPDVRHESA-N 1 2 334.847 2.260 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](F)CCCCCC)C2)nn1 ZINC001098767340 1298688208 /nfs/dbraw/zinc/68/82/08/1298688208.db2.gz LDLKJCHSGWPVAR-SJORKVTESA-N 1 2 349.454 2.083 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)CCC)C[C@H]21 ZINC001221731071 1299019150 /nfs/dbraw/zinc/01/91/50/1299019150.db2.gz ZNWBSDZCSJJGAL-GVDBMIGSSA-N 1 2 349.519 2.426 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@@H](C)CCC)C[C@H]21 ZINC001221731071 1299019163 /nfs/dbraw/zinc/01/91/63/1299019163.db2.gz ZNWBSDZCSJJGAL-GVDBMIGSSA-N 1 2 349.519 2.426 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(OC)nn3)C[C@H]21 ZINC001221759175 1299058890 /nfs/dbraw/zinc/05/88/90/1299058890.db2.gz POHKSBKTAOTCBE-ZMSDIMECSA-N 1 2 344.459 2.120 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(OC)nn3)C[C@H]21 ZINC001221759175 1299058912 /nfs/dbraw/zinc/05/89/12/1299058912.db2.gz POHKSBKTAOTCBE-ZMSDIMECSA-N 1 2 344.459 2.120 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(F)F)o3)[C@@H]2C1 ZINC001221985280 1299251386 /nfs/dbraw/zinc/25/13/86/1299251386.db2.gz OIKCDPNEQIJCEN-CHWSQXEVSA-N 1 2 338.354 2.013 20 30 EEEDLO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(F)F)o3)[C@@H]2C1 ZINC001221985280 1299251391 /nfs/dbraw/zinc/25/13/91/1299251391.db2.gz OIKCDPNEQIJCEN-CHWSQXEVSA-N 1 2 338.354 2.013 20 30 EEEDLO COCC[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001222033370 1299288468 /nfs/dbraw/zinc/28/84/68/1299288468.db2.gz QOJCDZOOLTVEOG-KFKAGJAMSA-N 1 2 341.455 2.264 20 30 EEEDLO COCC[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001222033370 1299288482 /nfs/dbraw/zinc/28/84/82/1299288482.db2.gz QOJCDZOOLTVEOG-KFKAGJAMSA-N 1 2 341.455 2.264 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C[C@H]1O ZINC001099727415 1299379055 /nfs/dbraw/zinc/37/90/55/1299379055.db2.gz OVIPGRSAAXTHMV-HZPDHXFCSA-N 1 2 340.826 2.497 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C[C@H]1O ZINC001099727415 1299379068 /nfs/dbraw/zinc/37/90/68/1299379068.db2.gz OVIPGRSAAXTHMV-HZPDHXFCSA-N 1 2 340.826 2.497 20 30 EEEDLO Cc1nc(N[C@H](C)CCNC(=O)C[C@H](C)n2cc[nH+]c2)ccc1C#N ZINC001099727860 1299382464 /nfs/dbraw/zinc/38/24/64/1299382464.db2.gz NGONZUSMCCUHOL-KGLIPLIRSA-N 1 2 340.431 2.416 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ncoc2C(C)C)C[C@@H]1O ZINC001099850294 1299439479 /nfs/dbraw/zinc/43/94/79/1299439479.db2.gz NLKONUWGMREWCK-HOCLYGCPSA-N 1 2 349.475 2.452 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](Cc2ncoc2C(C)C)C[C@@H]1O ZINC001099850294 1299439483 /nfs/dbraw/zinc/43/94/83/1299439483.db2.gz NLKONUWGMREWCK-HOCLYGCPSA-N 1 2 349.475 2.452 20 30 EEEDLO CC(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001099853282 1299444987 /nfs/dbraw/zinc/44/49/87/1299444987.db2.gz NMTSCIBAOXADMZ-MSOLQXFVSA-N 1 2 343.471 2.292 20 30 EEEDLO CC(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001099853282 1299444990 /nfs/dbraw/zinc/44/49/90/1299444990.db2.gz NMTSCIBAOXADMZ-MSOLQXFVSA-N 1 2 343.471 2.292 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3ncccn3)[C@H]2C1 ZINC001222547799 1299674189 /nfs/dbraw/zinc/67/41/89/1299674189.db2.gz WVQAQFHRDXIDOL-SJORKVTESA-N 1 2 326.444 2.093 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ncccn3)[C@H]2C1 ZINC001222547799 1299674198 /nfs/dbraw/zinc/67/41/98/1299674198.db2.gz WVQAQFHRDXIDOL-SJORKVTESA-N 1 2 326.444 2.093 20 30 EEEDLO C=CCOCC(=O)NCC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001222635664 1299745392 /nfs/dbraw/zinc/74/53/92/1299745392.db2.gz ATCRRPCWUXIEQP-UHFFFAOYSA-N 1 2 343.880 2.327 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CC[C@H]2CC[N@H+](Cc3cnns3)[C@H]2C1 ZINC001222661291 1299764723 /nfs/dbraw/zinc/76/47/23/1299764723.db2.gz BKWRMPBDDXRBSF-HIFRSBDPSA-N 1 2 332.473 2.010 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CC[C@H]2CC[N@@H+](Cc3cnns3)[C@H]2C1 ZINC001222661291 1299764733 /nfs/dbraw/zinc/76/47/33/1299764733.db2.gz BKWRMPBDDXRBSF-HIFRSBDPSA-N 1 2 332.473 2.010 20 30 EEEDLO C#CCOCCC(=O)N1CC[C@H]2CC[N@@H+](C/C(Cl)=C\Cl)[C@H]2C1 ZINC001222670675 1299775206 /nfs/dbraw/zinc/77/52/06/1299775206.db2.gz APVKWIKHGBUFBZ-AVLVDGKMSA-N 1 2 345.270 2.268 20 30 EEEDLO C#CCOCCC(=O)N1CC[C@H]2CC[N@H+](C/C(Cl)=C\Cl)[C@H]2C1 ZINC001222670675 1299775213 /nfs/dbraw/zinc/77/52/13/1299775213.db2.gz APVKWIKHGBUFBZ-AVLVDGKMSA-N 1 2 345.270 2.268 20 30 EEEDLO C#CCC1(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)c3noc(C)n3)C[C@H]2C)CCC1 ZINC001102037120 1300179244 /nfs/dbraw/zinc/17/92/44/1300179244.db2.gz QCFHDCXVUOMHKB-IJEWVQPXSA-N 1 2 344.459 2.317 20 30 EEEDLO C#CCC1(C(=O)NC[C@@H]2C[N@@H+]([C@@H](C)c3noc(C)n3)C[C@H]2C)CCC1 ZINC001102037120 1300179251 /nfs/dbraw/zinc/17/92/51/1300179251.db2.gz QCFHDCXVUOMHKB-IJEWVQPXSA-N 1 2 344.459 2.317 20 30 EEEDLO C=CCCC(=O)N1CCC([C@@H](C)Nc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001102057053 1300214049 /nfs/dbraw/zinc/21/40/49/1300214049.db2.gz WFLDRCSBBVVKQC-CYBMUJFWSA-N 1 2 346.479 2.251 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCC1CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC001224198537 1300484012 /nfs/dbraw/zinc/48/40/12/1300484012.db2.gz QQQLJRMSCZJIND-AWEZNQCLSA-N 1 2 348.447 2.044 20 30 EEEDLO N#Cc1ccc(N2CCC[C@]3(C2)C[N@H+](Cc2cn[nH]c2)CCO3)cc1 ZINC001276961047 1300529365 /nfs/dbraw/zinc/52/93/65/1300529365.db2.gz YXNUQJOHCCGPRR-LJQANCHMSA-N 1 2 337.427 2.153 20 30 EEEDLO N#Cc1ccc(N2CCC[C@]3(C2)C[N@@H+](Cc2cn[nH]c2)CCO3)cc1 ZINC001276961047 1300529371 /nfs/dbraw/zinc/52/93/71/1300529371.db2.gz YXNUQJOHCCGPRR-LJQANCHMSA-N 1 2 337.427 2.153 20 30 EEEDLO C#CCCCN1Cc2[nH]nc(C(=O)Nc3cccc4[nH+]ccn43)c2C1 ZINC001276973672 1300599108 /nfs/dbraw/zinc/59/91/08/1300599108.db2.gz RLILSLIIYCEGFZ-UHFFFAOYSA-N 1 2 334.383 2.039 20 30 EEEDLO COc1ccc(F)cc1N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001277008828 1300781499 /nfs/dbraw/zinc/78/14/99/1300781499.db2.gz BCWIHFHSNPCEFC-UHFFFAOYSA-N 1 2 340.402 2.367 20 30 EEEDLO C=CCC1(C(=O)NC[C@@H]2C[N@@H+](Cc3csnn3)C[C@H]2C)CCC1 ZINC001102331795 1300860979 /nfs/dbraw/zinc/86/09/79/1300860979.db2.gz SJZSOBNTEFUVSF-ZIAGYGMSSA-N 1 2 334.489 2.469 20 30 EEEDLO C=CCC1(C(=O)NC[C@@H]2C[N@H+](Cc3csnn3)C[C@H]2C)CCC1 ZINC001102331795 1300860994 /nfs/dbraw/zinc/86/09/94/1300860994.db2.gz SJZSOBNTEFUVSF-ZIAGYGMSSA-N 1 2 334.489 2.469 20 30 EEEDLO Cc1nc(N2CC[C@H](N(C)C(=O)CC#Cc3ccccc3)C2)cc[nH+]1 ZINC001102709890 1301473502 /nfs/dbraw/zinc/47/35/02/1301473502.db2.gz OJDBXXRNVBACQP-SFHVURJKSA-N 1 2 334.423 2.264 20 30 EEEDLO N#CCC1CN(C(=O)[C@@]23C[C@@H]2CC[N@H+]3Cc2ccc(F)c(F)c2)C1 ZINC001277167295 1301615891 /nfs/dbraw/zinc/61/58/91/1301615891.db2.gz PMEBGKHVQXJCEM-KBXCAEBGSA-N 1 2 331.366 2.301 20 30 EEEDLO N#CCC1CN(C(=O)[C@@]23C[C@@H]2CC[N@@H+]3Cc2ccc(F)c(F)c2)C1 ZINC001277167295 1301615901 /nfs/dbraw/zinc/61/59/01/1301615901.db2.gz PMEBGKHVQXJCEM-KBXCAEBGSA-N 1 2 331.366 2.301 20 30 EEEDLO CC(C)C#CC(=O)NC1CC[NH+](Cc2nc(-c3ccco3)no2)CC1 ZINC001227243846 1301745966 /nfs/dbraw/zinc/74/59/66/1301745966.db2.gz DFEZJCDAQIDZBO-UHFFFAOYSA-N 1 2 342.399 2.070 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NC1CC[NH+](Cc2nonc2C)CC1 ZINC001227535419 1301870679 /nfs/dbraw/zinc/87/06/79/1301870679.db2.gz ACOWWZVMEJJXHZ-UHFFFAOYSA-N 1 2 326.828 2.237 20 30 EEEDLO C=C(C)[C@H](CC(=O)NC1CC[NH+](Cc2ccn(CC)n2)CC1)OCC ZINC001227628710 1301915291 /nfs/dbraw/zinc/91/52/91/1301915291.db2.gz GTHIZHFDSDCBPG-SFHVURJKSA-N 1 2 348.491 2.355 20 30 EEEDLO C=CCc1cc(OC)c(O[C@@H](C)C[NH+]2CCOCC2)c(C(=O)OC)c1 ZINC001228245757 1302174263 /nfs/dbraw/zinc/17/42/63/1302174263.db2.gz WXDPOYMSOBQFQQ-AWEZNQCLSA-N 1 2 349.427 2.310 20 30 EEEDLO CC(C)C[C@@H](C(=O)NCC[C@@H]1CN(CC#N)C[C@H]1C)n1cc[nH+]c1 ZINC001103118917 1302259385 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N#Cc1cccc(C[N@@H+]2CCO[C@]3(CCCN(c4cnccn4)C3)C2)c1 ZINC001203762841 1321956036 /nfs/dbraw/zinc/95/60/36/1321956036.db2.gz XGCATDOUQPTVKU-HXUWFJFHSA-N 1 2 349.438 2.220 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCO[C@]3(CCCN(c4cnccn4)C3)C2)c1 ZINC001203762841 1321956037 /nfs/dbraw/zinc/95/60/37/1321956037.db2.gz XGCATDOUQPTVKU-HXUWFJFHSA-N 1 2 349.438 2.220 20 30 EEEDLO COc1cc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)ccc1OC(C)=O ZINC001203828117 1321969837 /nfs/dbraw/zinc/96/98/37/1321969837.db2.gz OCASPPNKULTCRC-MRXNPFEDSA-N 1 2 333.409 2.395 20 30 EEEDLO COc1cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)ccc1OC(C)=O ZINC001203828117 1321969839 /nfs/dbraw/zinc/96/98/39/1321969839.db2.gz OCASPPNKULTCRC-MRXNPFEDSA-N 1 2 333.409 2.395 20 30 EEEDLO C#CCN(C)c1nnc(Cc2[nH+]ccn2Cc2ccccc2)n1CC=C ZINC001262990952 1322418004 /nfs/dbraw/zinc/41/80/04/1322418004.db2.gz UOKUCFRJNFWQCF-UHFFFAOYSA-N 1 2 346.438 2.369 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)OCC)C1 ZINC001206377771 1323473709 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C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2noc3c2COCC3)C[C@H]1C ZINC001208391155 1324470854 /nfs/dbraw/zinc/47/08/54/1324470854.db2.gz KGBJYNZJIQVLGP-IIAWOOMASA-N 1 2 347.459 2.286 20 30 EEEDLO C=CCCOCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001316610419 1325003352 /nfs/dbraw/zinc/00/33/52/1325003352.db2.gz IXVOZXCZKWNHJQ-QGZVFWFLSA-N 1 2 345.418 2.323 20 30 EEEDLO C=CCCOCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001316610419 1325003354 /nfs/dbraw/zinc/00/33/54/1325003354.db2.gz IXVOZXCZKWNHJQ-QGZVFWFLSA-N 1 2 345.418 2.323 20 30 EEEDLO C=CC[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1)C(=O)OCC ZINC001321037100 1333002643 /nfs/dbraw/zinc/00/26/43/1333002643.db2.gz HSJDOZDRXLOQDM-IRXDYDNUSA-N 1 2 345.443 2.060 20 30 EEEDLO C=CC[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1)C(=O)OCC ZINC001321037100 1333002647 /nfs/dbraw/zinc/00/26/47/1333002647.db2.gz HSJDOZDRXLOQDM-IRXDYDNUSA-N 1 2 345.443 2.060 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(CCC)CCC ZINC001338834317 1336916530 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ZINC000893977949 780361668 /nfs/dbraw/zinc/36/16/68/780361668.db2.gz NXGFUUCOCZJKGL-UHFFFAOYSA-N 1 2 325.391 2.305 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCC[C@@H](C)CCC)C2)nn1 ZINC001098679271 780908120 /nfs/dbraw/zinc/90/81/20/780908120.db2.gz WUCRXCZYBVAAFN-WMZOPIPTSA-N 1 2 345.491 2.381 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ccns2)[C@@H](C)C1 ZINC000942100631 781723512 /nfs/dbraw/zinc/72/35/12/781723512.db2.gz OVUOOVRTVGMMDA-GXSJLCMTSA-N 1 2 344.278 2.492 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ccns2)[C@@H](C)C1 ZINC000942100631 781723514 /nfs/dbraw/zinc/72/35/14/781723514.db2.gz OVUOOVRTVGMMDA-GXSJLCMTSA-N 1 2 344.278 2.492 20 30 EEEDLO C[C@H](CNc1cccc(F)c1C#N)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001108099843 783304366 /nfs/dbraw/zinc/30/43/66/783304366.db2.gz ALIOEWXBQGBSRQ-NEPJUHHUSA-N 1 2 341.390 2.457 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[C@H](Nc3cc[nH+]c(C)n3)CC2)c1 ZINC001063402737 790936766 /nfs/dbraw/zinc/93/67/66/790936766.db2.gz PVXBRMHUHCHOMV-QAQDUYKDSA-N 1 2 335.411 2.314 20 30 EEEDLO CN(C(=O)c1cnco1)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033301751 783434196 /nfs/dbraw/zinc/43/41/96/783434196.db2.gz BZNYXTMICVNOMH-CQSZACIVSA-N 1 2 328.347 2.032 20 30 EEEDLO CN(C(=O)c1cnco1)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033301751 783434201 /nfs/dbraw/zinc/43/42/01/783434201.db2.gz BZNYXTMICVNOMH-CQSZACIVSA-N 1 2 328.347 2.032 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001131947914 783512939 /nfs/dbraw/zinc/51/29/39/783512939.db2.gz ZJTNVQZHPKMMHG-HIFRSBDPSA-N 1 2 337.851 2.407 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001131947914 783512947 /nfs/dbraw/zinc/51/29/47/783512947.db2.gz ZJTNVQZHPKMMHG-HIFRSBDPSA-N 1 2 337.851 2.407 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cncc(-c3ccccc3)c2)C1 ZINC001035389921 784431306 /nfs/dbraw/zinc/43/13/06/784431306.db2.gz SEQVOVDTGZGGFW-IBGZPJMESA-N 1 2 337.423 2.365 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cncc(-c3ccccc3)c2)C1 ZINC001035389921 784431318 /nfs/dbraw/zinc/43/13/18/784431318.db2.gz SEQVOVDTGZGGFW-IBGZPJMESA-N 1 2 337.423 2.365 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)n(C(CC)CC)n2)C1 ZINC001035425209 784468887 /nfs/dbraw/zinc/46/88/87/784468887.db2.gz VKOBYBHVVXYUGO-KRWDZBQOSA-N 1 2 346.475 2.007 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)n(C(CC)CC)n2)C1 ZINC001035425209 784468893 /nfs/dbraw/zinc/46/88/93/784468893.db2.gz VKOBYBHVVXYUGO-KRWDZBQOSA-N 1 2 346.475 2.007 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001035430613 784513527 /nfs/dbraw/zinc/51/35/27/784513527.db2.gz IFWSRUNQCOQVAH-GOSISDBHSA-N 1 2 325.412 2.094 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001035430613 784513530 /nfs/dbraw/zinc/51/35/30/784513530.db2.gz IFWSRUNQCOQVAH-GOSISDBHSA-N 1 2 325.412 2.094 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnccc2C(F)(F)F)C1 ZINC001035523301 784667480 /nfs/dbraw/zinc/66/74/80/784667480.db2.gz QGXQOZAWLYLXEL-GFCCVEGCSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnccc2C(F)(F)F)C1 ZINC001035523301 784667486 /nfs/dbraw/zinc/66/74/86/784667486.db2.gz QGXQOZAWLYLXEL-GFCCVEGCSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(F)cc2Cl)C1 ZINC001035601720 784762118 /nfs/dbraw/zinc/76/21/18/784762118.db2.gz VKYYVVLNXOROSP-CYBMUJFWSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(F)cc2Cl)C1 ZINC001035601720 784762123 /nfs/dbraw/zinc/76/21/23/784762123.db2.gz VKYYVVLNXOROSP-CYBMUJFWSA-N 1 2 326.799 2.486 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)ccc2Cl)C1 ZINC001035591693 784804468 /nfs/dbraw/zinc/80/44/68/784804468.db2.gz YFFLMIUUQLCROL-ZDUSSCGKSA-N 1 2 341.238 2.447 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)ccc2Cl)C1 ZINC001035591693 784804476 /nfs/dbraw/zinc/80/44/76/784804476.db2.gz YFFLMIUUQLCROL-ZDUSSCGKSA-N 1 2 341.238 2.447 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(N(C)CC)cc2)C1 ZINC001035618597 784807892 /nfs/dbraw/zinc/80/78/92/784807892.db2.gz JUNBWKVRMQDLLS-SFHVURJKSA-N 1 2 331.460 2.149 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(N(C)CC)cc2)C1 ZINC001035618597 784807901 /nfs/dbraw/zinc/80/79/01/784807901.db2.gz JUNBWKVRMQDLLS-SFHVURJKSA-N 1 2 331.460 2.149 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)c2ccn[nH]2)CC3)s1 ZINC001035659206 784881208 /nfs/dbraw/zinc/88/12/08/784881208.db2.gz WSQZZMTZEOKOEF-UHFFFAOYSA-N 1 2 341.440 2.081 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH]ncc31)CC2 ZINC001035705484 784986951 /nfs/dbraw/zinc/98/69/51/784986951.db2.gz DNBTUVSWKGQQLY-OAHLLOKOSA-N 1 2 328.460 2.330 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC3(C[NH+](CC(=C)Cl)C3)CC2)cn1 ZINC001035839589 785265015 /nfs/dbraw/zinc/26/50/15/785265015.db2.gz SWQJKLJSNMOMSZ-UHFFFAOYSA-N 1 2 329.831 2.353 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@H]([NH2+]Cc2nc(C)no2)C(C)(C)C1 ZINC000995914882 785838265 /nfs/dbraw/zinc/83/82/65/785838265.db2.gz GESXKOKERWSJEU-HNNXBMFYSA-N 1 2 343.431 2.006 20 30 EEEDLO C#CCC[NH+]1CCN(c2nc(C(F)(F)F)ccc2C(C)=O)CC1 ZINC000820652167 786007351 /nfs/dbraw/zinc/00/73/51/786007351.db2.gz OUPHBCWOZNKPHX-UHFFFAOYSA-N 1 2 325.334 2.448 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC/C=C/CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001107149063 786117200 /nfs/dbraw/zinc/11/72/00/786117200.db2.gz VJKPEEKIIRCKEM-LKGOPFMKSA-N 1 2 332.448 2.320 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]([NH2+]Cc2nc(N(C)C)no2)C(C)(C)C1 ZINC000996229780 786151920 /nfs/dbraw/zinc/15/19/20/786151920.db2.gz VRKNUXWXQGUUJI-ACJLOTCBSA-N 1 2 349.479 2.065 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@]3(C)CCC(C)=C(C)C3)nn2)C1 ZINC001107240880 786595528 /nfs/dbraw/zinc/59/55/28/786595528.db2.gz IABVLOQYYSHZGX-IBGZPJMESA-N 1 2 343.475 2.464 20 30 EEEDLO CN(CCCNc1cccc(F)c1C#N)C(=O)CCn1cc[nH+]c1 ZINC001109580631 805712209 /nfs/dbraw/zinc/71/22/09/805712209.db2.gz XWBHNNZOCUKBRX-UHFFFAOYSA-N 1 2 329.379 2.245 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N(C)CCCNc1ncnc2c1C[N@H+](C)CC2 ZINC001109586877 805719898 /nfs/dbraw/zinc/71/98/98/805719898.db2.gz NMDROXXAKUQYLK-CABCVRRESA-N 1 2 345.491 2.183 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N(C)CCCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001109586877 805719904 /nfs/dbraw/zinc/71/99/04/805719904.db2.gz NMDROXXAKUQYLK-CABCVRRESA-N 1 2 345.491 2.183 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(C)CCCNc1ncnc2c1C[N@H+](C)CC2 ZINC001109586879 805720265 /nfs/dbraw/zinc/72/02/65/805720265.db2.gz NMDROXXAKUQYLK-HUUCEWRRSA-N 1 2 345.491 2.183 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(C)CCCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001109586879 805720269 /nfs/dbraw/zinc/72/02/69/805720269.db2.gz NMDROXXAKUQYLK-HUUCEWRRSA-N 1 2 345.491 2.183 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001109597194 805739780 /nfs/dbraw/zinc/73/97/80/805739780.db2.gz CQHAILLCOGLFRU-ORQFMDKSSA-N 1 2 347.503 2.225 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001109597194 805739786 /nfs/dbraw/zinc/73/97/86/805739786.db2.gz CQHAILLCOGLFRU-ORQFMDKSSA-N 1 2 347.503 2.225 20 30 EEEDLO COC(=O)c1ccc(C(=[NH2+])Nc2ccc(C(N)=O)c3[nH]ccc32)cc1 ZINC001170984126 787106859 /nfs/dbraw/zinc/10/68/59/787106859.db2.gz NDQIAELDHKFTSE-UHFFFAOYSA-N 1 2 336.351 2.090 20 30 EEEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(OC)no1 ZINC001109604679 805756711 /nfs/dbraw/zinc/75/67/11/805756711.db2.gz UWKSPJIMDWIZHL-PVAVHDDUSA-N 1 2 345.443 2.488 20 30 EEEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(OC)no1 ZINC001109604679 805756719 /nfs/dbraw/zinc/75/67/19/805756719.db2.gz UWKSPJIMDWIZHL-PVAVHDDUSA-N 1 2 345.443 2.488 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001090733583 787939565 /nfs/dbraw/zinc/93/95/65/787939565.db2.gz RDDJOCAKWYHONX-IVMMDQJWSA-N 1 2 344.459 2.194 20 30 EEEDLO CC[C@@H](SC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032359076 788235501 /nfs/dbraw/zinc/23/55/01/788235501.db2.gz QHFWBAYOXBUUQQ-YESZJQIVSA-N 1 2 329.469 2.485 20 30 EEEDLO CC[C@@H](SC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032359076 788235503 /nfs/dbraw/zinc/23/55/03/788235503.db2.gz QHFWBAYOXBUUQQ-YESZJQIVSA-N 1 2 329.469 2.485 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2Cl)[C@H](O)C1 ZINC001090783331 788239330 /nfs/dbraw/zinc/23/93/30/788239330.db2.gz LULIPPMFDWLCJY-LSDHHAIUSA-N 1 2 343.254 2.186 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccccc2Cl)[C@H](O)C1 ZINC001090783331 788239333 /nfs/dbraw/zinc/23/93/33/788239333.db2.gz LULIPPMFDWLCJY-LSDHHAIUSA-N 1 2 343.254 2.186 20 30 EEEDLO CS[C@@H](C)C(=O)NC[C@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107763231 788278752 /nfs/dbraw/zinc/27/87/52/788278752.db2.gz CNSNUMXCGDXYGY-KBXCAEBGSA-N 1 2 347.484 2.017 20 30 EEEDLO CS[C@@H](C)C(=O)NC[C@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107763231 788278758 /nfs/dbraw/zinc/27/87/58/788278758.db2.gz CNSNUMXCGDXYGY-KBXCAEBGSA-N 1 2 347.484 2.017 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nnn1CC ZINC001109682103 805871464 /nfs/dbraw/zinc/87/14/64/805871464.db2.gz UALQVYOIIVHCDI-PASDCYSWSA-N 1 2 345.491 2.430 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nnn1CC ZINC001109682103 805871476 /nfs/dbraw/zinc/87/14/76/805871476.db2.gz UALQVYOIIVHCDI-PASDCYSWSA-N 1 2 345.491 2.430 20 30 EEEDLO C[C@H](C#N)C(=O)NC[C@@]1(C)C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC001107819394 788565302 /nfs/dbraw/zinc/56/53/02/788565302.db2.gz OTHAWUWXFKJNRL-MCFURUIZSA-N 1 2 327.428 2.067 20 30 EEEDLO C[C@H](C#N)C(=O)NC[C@@]1(C)C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC001107819394 788565307 /nfs/dbraw/zinc/56/53/07/788565307.db2.gz OTHAWUWXFKJNRL-MCFURUIZSA-N 1 2 327.428 2.067 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060787313 788634495 /nfs/dbraw/zinc/63/44/95/788634495.db2.gz HMTGSTYMNLDCKC-JYJNAYRXSA-N 1 2 346.475 2.346 20 30 EEEDLO C[C@@]1(CNC(=O)C=C2CCC2)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107860604 788860920 /nfs/dbraw/zinc/86/09/20/788860920.db2.gz 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ZINC001105713824 789141429 /nfs/dbraw/zinc/14/14/29/789141429.db2.gz XGJVJFGYUQYXMC-HOTGVXAUSA-N 1 2 338.492 2.173 20 30 EEEDLO N#Cc1cncc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)c1 ZINC001144075133 789210515 /nfs/dbraw/zinc/21/05/15/789210515.db2.gz JWIHOQGUFXDNQG-GBESFXJTSA-N 1 2 336.395 2.159 20 30 EEEDLO N#Cc1cncc(C[N@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)c1 ZINC001144075133 789210523 /nfs/dbraw/zinc/21/05/23/789210523.db2.gz JWIHOQGUFXDNQG-GBESFXJTSA-N 1 2 336.395 2.159 20 30 EEEDLO Cc1nsc(NC[C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)c1C#N ZINC001060267355 789271670 /nfs/dbraw/zinc/27/16/70/789271670.db2.gz AYFTUGFKIXLVSW-GFCCVEGCSA-N 1 2 344.444 2.082 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)C2CC[NH+](Cc3cnon3)CC2)cc1 ZINC000997256271 789527914 /nfs/dbraw/zinc/52/79/14/789527914.db2.gz VBSPWVVEROGEBK-CQSZACIVSA-N 1 2 338.411 2.081 20 30 EEEDLO C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001107945428 789675240 /nfs/dbraw/zinc/67/52/40/789675240.db2.gz GFIOOXDMNHYECP-KXBFYZLASA-N 1 2 346.475 2.003 20 30 EEEDLO C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001107945428 789675245 /nfs/dbraw/zinc/67/52/45/789675245.db2.gz GFIOOXDMNHYECP-KXBFYZLASA-N 1 2 346.475 2.003 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nn(C(C)(C)C)c1C ZINC001032432781 789742522 /nfs/dbraw/zinc/74/25/22/789742522.db2.gz BLUYGQZDTIOTLL-HOTGVXAUSA-N 1 2 328.460 2.177 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nn(C(C)(C)C)c1C ZINC001032432781 789742529 /nfs/dbraw/zinc/74/25/29/789742529.db2.gz BLUYGQZDTIOTLL-HOTGVXAUSA-N 1 2 328.460 2.177 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001079041711 789892288 /nfs/dbraw/zinc/89/22/88/789892288.db2.gz QGVDVUASICPNIG-SJORKVTESA-N 1 2 346.475 2.325 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc3occc3c2)C1 ZINC001107958859 789913890 /nfs/dbraw/zinc/91/38/90/789913890.db2.gz AKNGALJSBQTFAE-IBGZPJMESA-N 1 2 326.396 2.277 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc3occc3c2)C1 ZINC001107958859 789913894 /nfs/dbraw/zinc/91/38/94/789913894.db2.gz AKNGALJSBQTFAE-IBGZPJMESA-N 1 2 326.396 2.277 20 30 EEEDLO CC1CCC(N(C)C(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)CC1 ZINC000158229530 790219047 /nfs/dbraw/zinc/21/90/47/790219047.db2.gz NCJNTKLYONIUKE-UHFFFAOYSA-N 1 2 345.443 2.296 20 30 EEEDLO CCOC(=O)c1cnc2n1CC[N@H+]([C@H](C)Cc1cccc(C#N)c1)C2 ZINC001171230363 790237166 /nfs/dbraw/zinc/23/71/66/790237166.db2.gz UYXNUHQGBZEEAV-CQSZACIVSA-N 1 2 338.411 2.378 20 30 EEEDLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@H](C)Cc1cccc(C#N)c1)C2 ZINC001171230363 790237170 /nfs/dbraw/zinc/23/71/70/790237170.db2.gz UYXNUHQGBZEEAV-CQSZACIVSA-N 1 2 338.411 2.378 20 30 EEEDLO C#CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nnc(C)o1 ZINC001099048655 791518560 /nfs/dbraw/zinc/51/85/60/791518560.db2.gz JLQZLJFJPISTEY-OAHLLOKOSA-N 1 2 332.448 2.288 20 30 EEEDLO C#CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nnc(C)o1 ZINC001099048655 791518571 /nfs/dbraw/zinc/51/85/71/791518571.db2.gz JLQZLJFJPISTEY-OAHLLOKOSA-N 1 2 332.448 2.288 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1CC[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091609172 791616097 /nfs/dbraw/zinc/61/60/97/791616097.db2.gz HCIMWNMCXAMSRV-LSDHHAIUSA-N 1 2 346.479 2.299 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)CCCCC)[C@@H](n2ccnn2)C1 ZINC001129308030 791620565 /nfs/dbraw/zinc/62/05/65/791620565.db2.gz YDOWNBRHQZNZOH-KURKYZTESA-N 1 2 345.491 2.249 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)CCCCC)[C@@H](n2ccnn2)C1 ZINC001129308030 791620572 /nfs/dbraw/zinc/62/05/72/791620572.db2.gz YDOWNBRHQZNZOH-KURKYZTESA-N 1 2 345.491 2.249 20 30 EEEDLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1Nc1cccc(F)c1C#N ZINC001063803876 791756875 /nfs/dbraw/zinc/75/68/75/791756875.db2.gz ZSTFKJWSAREIQZ-BLLLJJGKSA-N 1 2 341.390 2.312 20 30 EEEDLO C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@H+](C/C(Cl)=C\Cl)C2 ZINC001091659922 791948093 /nfs/dbraw/zinc/94/80/93/791948093.db2.gz VMJWLAZWVGKMOU-YAWLVPHKSA-N 1 2 327.255 2.499 20 30 EEEDLO C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1C[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001091659922 791948095 /nfs/dbraw/zinc/94/80/95/791948095.db2.gz VMJWLAZWVGKMOU-YAWLVPHKSA-N 1 2 327.255 2.499 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ncnn1C(C)C)C2 ZINC001148110858 792158525 /nfs/dbraw/zinc/15/85/25/792158525.db2.gz JSZYULRBKOOGFA-UHFFFAOYSA-N 1 2 343.475 2.087 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ncnn1C(C)C)C2 ZINC001148110858 792158533 /nfs/dbraw/zinc/15/85/33/792158533.db2.gz JSZYULRBKOOGFA-UHFFFAOYSA-N 1 2 343.475 2.087 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1nnc(C)n1CC)C2 ZINC001148131834 792208046 /nfs/dbraw/zinc/20/80/46/792208046.db2.gz VWSYIFHWOTXELZ-INIZCTEOSA-N 1 2 345.491 2.243 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(C)n1CC)C2 ZINC001148131834 792208054 /nfs/dbraw/zinc/20/80/54/792208054.db2.gz VWSYIFHWOTXELZ-INIZCTEOSA-N 1 2 345.491 2.243 20 30 EEEDLO CCc1nocc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032612717 792318074 /nfs/dbraw/zinc/31/80/74/792318074.db2.gz XXFBMILXRYCCNO-HOTGVXAUSA-N 1 2 336.395 2.208 20 30 EEEDLO CCc1nocc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032612717 792318085 /nfs/dbraw/zinc/31/80/85/792318085.db2.gz XXFBMILXRYCCNO-HOTGVXAUSA-N 1 2 336.395 2.208 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(CC)n1C)C2 ZINC001148357124 792385879 /nfs/dbraw/zinc/38/58/79/792385879.db2.gz DYFHUEOBUVDCTH-UHFFFAOYSA-N 1 2 345.491 2.014 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](Cc1nnc(CC)n1C)C2 ZINC001148357124 792385888 /nfs/dbraw/zinc/38/58/88/792385888.db2.gz DYFHUEOBUVDCTH-UHFFFAOYSA-N 1 2 345.491 2.014 20 30 EEEDLO Cc1cc(CCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#Cc2ccccc2)no1 ZINC001032620782 792456518 /nfs/dbraw/zinc/45/65/18/792456518.db2.gz MAMSMWVCLOESBL-PMACEKPBSA-N 1 2 349.434 2.252 20 30 EEEDLO Cc1cc(CCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#Cc2ccccc2)no1 ZINC001032620782 792456523 /nfs/dbraw/zinc/45/65/23/792456523.db2.gz MAMSMWVCLOESBL-PMACEKPBSA-N 1 2 349.434 2.252 20 30 EEEDLO Cc1nc(NC[C@H]2CCCC[C@@H]2NC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001064165366 792527857 /nfs/dbraw/zinc/52/78/57/792527857.db2.gz ZLTURDCQBOFDOJ-CJNGLKHVSA-N 1 2 338.415 2.386 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@@H]1C ZINC001092056406 793522480 /nfs/dbraw/zinc/52/24/80/793522480.db2.gz LSZCRNOKECYBEO-OCCSQVGLSA-N 1 2 342.447 2.049 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1O ZINC001092164304 793620118 /nfs/dbraw/zinc/62/01/18/793620118.db2.gz MDZXFOBAQQDERJ-JKSUJKDBSA-N 1 2 346.475 2.321 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1O ZINC001092183043 793645626 /nfs/dbraw/zinc/64/56/26/793645626.db2.gz UZNRHYKSDRVRSB-CVEARBPZSA-N 1 2 346.475 2.060 20 30 EEEDLO C=C(C)[C@H](CC(=O)NCC1CC(Nc2cc[nH+]c(C)n2)C1)OCC ZINC001092242438 793717541 /nfs/dbraw/zinc/71/75/41/793717541.db2.gz YGKJZYVUODPAJQ-GPANFISMSA-N 1 2 332.448 2.463 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3ncccc3o1)c1nccn12 ZINC001092381844 793877291 /nfs/dbraw/zinc/87/72/91/793877291.db2.gz ZZTGVKMHEHTWLI-AWEZNQCLSA-N 1 2 349.394 2.096 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC=CCC3)C2)s1 ZINC001077517738 793877963 /nfs/dbraw/zinc/87/79/63/793877963.db2.gz GAYHPIZUXDFAOL-IAOVAPTHSA-N 1 2 345.468 2.027 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC=CCC3)C2)s1 ZINC001077517738 793877967 /nfs/dbraw/zinc/87/79/67/793877967.db2.gz GAYHPIZUXDFAOL-IAOVAPTHSA-N 1 2 345.468 2.027 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(F)c(C)c1)c1nccn12 ZINC001092388359 793883671 /nfs/dbraw/zinc/88/36/71/793883671.db2.gz HTDKEAPZZNSOTQ-INIZCTEOSA-N 1 2 340.402 2.402 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1occc1Cl)c1nccn12 ZINC001092390857 793887880 /nfs/dbraw/zinc/88/78/80/793887880.db2.gz HSCRRJMDKHNKIB-LBPRGKRZSA-N 1 2 332.791 2.201 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC(C)(C)C1)c1nccn12 ZINC001092392309 793889953 /nfs/dbraw/zinc/88/99/53/793889953.db2.gz FVZDEKIPCNGXRD-CVEARBPZSA-N 1 2 340.471 2.305 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)C1(F)CCCCC1)c1nccn12 ZINC001092407334 793955169 /nfs/dbraw/zinc/95/51/69/793955169.db2.gz IJWCFUGZTWJLFE-HNNXBMFYSA-N 1 2 344.434 2.151 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2CC([NH2+]Cc3noc(CC)n3)C2)cc1 ZINC000999210893 794023317 /nfs/dbraw/zinc/02/33/17/794023317.db2.gz STQXBUKYQILQOH-UHFFFAOYSA-N 1 2 338.411 2.006 20 30 EEEDLO C=CCCC(=O)NC[C@]1(C)CN(c2nc(C)[nH+]c(C)c2C)CCO1 ZINC001092734060 794274322 /nfs/dbraw/zinc/27/43/22/794274322.db2.gz RJRLBPKJFRXRKA-GOSISDBHSA-N 1 2 332.448 2.080 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C2CC([NH2+]Cc3noc(CCC)n3)C2)C1 ZINC000999362206 794362389 /nfs/dbraw/zinc/36/23/89/794362389.db2.gz YHPHFCUWVFHYFN-UHFFFAOYSA-N 1 2 332.448 2.457 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cscn1 ZINC001079488433 794849029 /nfs/dbraw/zinc/84/90/29/794849029.db2.gz YIZQTENDWKWLRX-IAQYHMDHSA-N 1 2 344.415 2.404 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cscn1 ZINC001079488433 794849037 /nfs/dbraw/zinc/84/90/37/794849037.db2.gz YIZQTENDWKWLRX-IAQYHMDHSA-N 1 2 344.415 2.404 20 30 EEEDLO CCc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)co1 ZINC001079600010 795006488 /nfs/dbraw/zinc/00/64/88/795006488.db2.gz MICFBCZCVWQSRV-CZUORRHYSA-N 1 2 338.411 2.359 20 30 EEEDLO CCc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)co1 ZINC001079600010 795006494 /nfs/dbraw/zinc/00/64/94/795006494.db2.gz MICFBCZCVWQSRV-CZUORRHYSA-N 1 2 338.411 2.359 20 30 EEEDLO C=CCC(C)(C)C(=O)N(CC)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001079787648 795192813 /nfs/dbraw/zinc/19/28/13/795192813.db2.gz XRTHKSHQHIVWDD-UHFFFAOYSA-N 1 2 346.475 2.349 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c3c(nn2C)CCCC3)C1 ZINC001079777551 795210610 /nfs/dbraw/zinc/21/06/10/795210610.db2.gz ZQUFOIGCZZHDCH-IAQYHMDHSA-N 1 2 336.867 2.102 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c3c(nn2C)CCCC3)C1 ZINC001079777551 795210616 /nfs/dbraw/zinc/21/06/16/795210616.db2.gz ZQUFOIGCZZHDCH-IAQYHMDHSA-N 1 2 336.867 2.102 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3Cc3cnsn3)C2)C1 ZINC001036816149 795236558 /nfs/dbraw/zinc/23/65/58/795236558.db2.gz QLPLRKDHAJJVSL-UKRRQHHQSA-N 1 2 332.473 2.317 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3Cc3cnsn3)C2)C1 ZINC001036816149 795236561 /nfs/dbraw/zinc/23/65/61/795236561.db2.gz QLPLRKDHAJJVSL-UKRRQHHQSA-N 1 2 332.473 2.317 20 30 EEEDLO Cc1cc(NCC[C@H](C)NC(=O)CSCC#N)nc(C2CC2)[nH+]1 ZINC001106231489 795268680 /nfs/dbraw/zinc/26/86/80/795268680.db2.gz YUGPWRUILBKVFP-NSHDSACASA-N 1 2 333.461 2.226 20 30 EEEDLO CC#CCCCC(=O)NCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001077903917 795284800 /nfs/dbraw/zinc/28/48/00/795284800.db2.gz ZBXQIEHUFULRET-HNNXBMFYSA-N 1 2 340.427 2.153 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]1C ZINC001079849867 795319329 /nfs/dbraw/zinc/31/93/29/795319329.db2.gz BJMJQYHFGYRCCM-ZIAGYGMSSA-N 1 2 330.457 2.381 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2nccs2)C[C@H]1C ZINC001079849867 795319332 /nfs/dbraw/zinc/31/93/32/795319332.db2.gz BJMJQYHFGYRCCM-ZIAGYGMSSA-N 1 2 330.457 2.381 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc3ccncc3s2)C1 ZINC001107998364 795325825 /nfs/dbraw/zinc/32/58/25/795325825.db2.gz JZPUXHDEQCXSAQ-KRWDZBQOSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc3ccncc3s2)C1 ZINC001107998364 795325829 /nfs/dbraw/zinc/32/58/29/795325829.db2.gz JZPUXHDEQCXSAQ-KRWDZBQOSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3scnc3CC)CC2)C1 ZINC001093541637 795350250 /nfs/dbraw/zinc/35/02/50/795350250.db2.gz POERFISQFMJWRU-UHFFFAOYSA-N 1 2 335.473 2.197 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC(N(CC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001079964691 795411059 /nfs/dbraw/zinc/41/10/59/795411059.db2.gz HGKKKEMWUUECJL-UHFFFAOYSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC(N(CC)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001079964691 795411062 /nfs/dbraw/zinc/41/10/62/795411062.db2.gz HGKKKEMWUUECJL-UHFFFAOYSA-N 1 2 332.448 2.004 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3sc(C)nc3C)CC2)C1 ZINC001093596478 795436377 /nfs/dbraw/zinc/43/63/77/795436377.db2.gz FFHLJGLLQAKYIC-UHFFFAOYSA-N 1 2 335.473 2.251 20 30 EEEDLO C[C@H](CNc1cccc(F)c1C#N)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001108002130 795451661 /nfs/dbraw/zinc/45/16/61/795451661.db2.gz AESPHVMYIDJFJF-CHWSQXEVSA-N 1 2 341.390 2.073 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001080232707 795738528 /nfs/dbraw/zinc/73/85/28/795738528.db2.gz ZEVZDBISKLHBLR-MEBBXXQBSA-N 1 2 347.850 2.079 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001080232707 795738533 /nfs/dbraw/zinc/73/85/33/795738533.db2.gz ZEVZDBISKLHBLR-MEBBXXQBSA-N 1 2 347.850 2.079 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(CC)C1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001080305294 795805984 /nfs/dbraw/zinc/80/59/84/795805984.db2.gz MDYNJGIHFCQCJV-OAHLLOKOSA-N 1 2 346.475 2.014 20 30 EEEDLO C[C@@H](CCNc1ncccc1C#N)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001106581871 795881112 /nfs/dbraw/zinc/88/11/12/795881112.db2.gz GBQGXHMBBDLKHD-GXTWGEPZSA-N 1 2 338.415 2.103 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CCC3(CC3)CC2)[C@H](O)C1 ZINC001090435807 806462423 /nfs/dbraw/zinc/46/24/23/806462423.db2.gz KOVTTYBXZPHTHI-HUUCEWRRSA-N 1 2 326.868 2.261 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CCC3(CC3)CC2)[C@H](O)C1 ZINC001090435807 806462427 /nfs/dbraw/zinc/46/24/27/806462427.db2.gz KOVTTYBXZPHTHI-HUUCEWRRSA-N 1 2 326.868 2.261 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@@H+]1Cc1ccns1 ZINC000993209616 795953332 /nfs/dbraw/zinc/95/33/32/795953332.db2.gz ZZLMESZQIRGBNL-IAQYHMDHSA-N 1 2 329.429 2.126 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1Cc1ccns1 ZINC000993209616 795953336 /nfs/dbraw/zinc/95/33/36/795953336.db2.gz ZZLMESZQIRGBNL-IAQYHMDHSA-N 1 2 329.429 2.126 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3ccoc3C3CC3)nn2)C1 ZINC001094313960 796079413 /nfs/dbraw/zinc/07/94/13/796079413.db2.gz JFVBRBBRCGNLIZ-UHFFFAOYSA-N 1 2 341.415 2.111 20 30 EEEDLO C=C1CC(C)(C(=O)N(CC)C2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001080502927 796121051 /nfs/dbraw/zinc/12/10/51/796121051.db2.gz XDGJTYJPYWBIBI-AWEZNQCLSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C1CC(C)(C(=O)N(CC)C2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001080502927 796121054 /nfs/dbraw/zinc/12/10/54/796121054.db2.gz XDGJTYJPYWBIBI-AWEZNQCLSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncc3ccccc32)C1 ZINC001080634976 796270582 /nfs/dbraw/zinc/27/05/82/796270582.db2.gz WMIDEIUISSAKDH-IUODEOHRSA-N 1 2 332.835 2.225 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncc3ccccc32)C1 ZINC001080634976 796270585 /nfs/dbraw/zinc/27/05/85/796270585.db2.gz WMIDEIUISSAKDH-IUODEOHRSA-N 1 2 332.835 2.225 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1nccs1 ZINC001080659754 796288838 /nfs/dbraw/zinc/28/88/38/796288838.db2.gz ZMELCFLTLHRDJJ-IAQYHMDHSA-N 1 2 344.415 2.404 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1nccs1 ZINC001080659754 796288840 /nfs/dbraw/zinc/28/88/40/796288840.db2.gz ZMELCFLTLHRDJJ-IAQYHMDHSA-N 1 2 344.415 2.404 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001060977449 796338563 /nfs/dbraw/zinc/33/85/63/796338563.db2.gz GVSAFRLHDNKNNT-KDOFPFPSSA-N 1 2 346.479 2.109 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2scc3c2OCCO3)C1 ZINC001080713442 796343712 /nfs/dbraw/zinc/34/37/12/796343712.db2.gz DDQHSVQNOJLIKE-MWLCHTKSSA-N 1 2 342.848 2.322 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2scc3c2OCCO3)C1 ZINC001080713442 796343716 /nfs/dbraw/zinc/34/37/16/796343716.db2.gz DDQHSVQNOJLIKE-MWLCHTKSSA-N 1 2 342.848 2.322 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@@H]3CC[C@@H](Nc4cc[nH+]c(C)n4)[C@H]3C2)c1 ZINC001060552377 796362506 /nfs/dbraw/zinc/36/25/06/796362506.db2.gz DVBXDHOJHJXLRF-RYQLBKOJSA-N 1 2 347.422 2.124 20 30 EEEDLO N#Cc1c(F)cccc1NCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001094656379 796521043 /nfs/dbraw/zinc/52/10/43/796521043.db2.gz LNNVYNIUMLARKF-ZDUSSCGKSA-N 1 2 341.390 2.075 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCCO[C@H](C[NH2+][C@H](C)c3nc(C)no3)C2)C1 ZINC001078467145 796522409 /nfs/dbraw/zinc/52/24/09/796522409.db2.gz VFVBVEXCNLMPNW-UKRRQHHQSA-N 1 2 348.447 2.002 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001081002831 796530878 /nfs/dbraw/zinc/53/08/78/796530878.db2.gz SIKHWOKFWOLATJ-MEBBXXQBSA-N 1 2 347.850 2.079 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001081002831 796530880 /nfs/dbraw/zinc/53/08/80/796530880.db2.gz SIKHWOKFWOLATJ-MEBBXXQBSA-N 1 2 347.850 2.079 20 30 EEEDLO N#Cc1c(F)cccc1NCCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001094781242 796575846 /nfs/dbraw/zinc/57/58/46/796575846.db2.gz GLCHAOAZUQQYAP-LBPRGKRZSA-N 1 2 341.390 2.459 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cccc(C(C)C)c3)CC2=O)C1 ZINC001094804001 796600533 /nfs/dbraw/zinc/60/05/33/796600533.db2.gz LKGUKGHQRRWEDA-KRWDZBQOSA-N 1 2 341.455 2.011 20 30 EEEDLO C#CCOc1ncccc1C(=O)NC1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001031276135 796625739 /nfs/dbraw/zinc/62/57/39/796625739.db2.gz MINUZOVVZNLBLL-HNNXBMFYSA-N 1 2 335.407 2.269 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@]3(C)CCC(C)=C(C)C3)CC2=O)C1 ZINC001094821534 796627147 /nfs/dbraw/zinc/62/71/47/796627147.db2.gz SSWYVKWQLUNWPN-OXJNMPFZSA-N 1 2 345.487 2.100 20 30 EEEDLO C=CCCC(=O)N(CC)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001081130588 796661412 /nfs/dbraw/zinc/66/14/12/796661412.db2.gz GNMFMGAQJIOJSX-UHFFFAOYSA-N 1 2 332.448 2.006 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1CCCC1 ZINC001081255344 796688421 /nfs/dbraw/zinc/68/84/21/796688421.db2.gz QBDXFKNUYDSPSD-HZPDHXFCSA-N 1 2 333.457 2.125 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1CCCC1 ZINC001081255344 796688426 /nfs/dbraw/zinc/68/84/26/796688426.db2.gz QBDXFKNUYDSPSD-HZPDHXFCSA-N 1 2 333.457 2.125 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)nnn3C)[C@H]1C ZINC000993479607 796727923 /nfs/dbraw/zinc/72/79/23/796727923.db2.gz ATYUGHFLSFDSLY-OCCSQVGLSA-N 1 2 347.850 2.304 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)nnn3C)[C@H]1C ZINC000993479607 796727926 /nfs/dbraw/zinc/72/79/26/796727926.db2.gz ATYUGHFLSFDSLY-OCCSQVGLSA-N 1 2 347.850 2.304 20 30 EEEDLO C=C(Cl)CN1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC000993519528 796777353 /nfs/dbraw/zinc/77/73/53/796777353.db2.gz KPNZYLHMBLGMBF-TZMCWYRMSA-N 1 2 340.855 2.071 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2scc(C)c2Cl)[C@H](OC)C1 ZINC001081723187 796865114 /nfs/dbraw/zinc/86/51/14/796865114.db2.gz WTQQEZFEISYFTD-VXGBXAGGSA-N 1 2 326.849 2.162 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2scc(C)c2Cl)[C@H](OC)C1 ZINC001081723187 796865119 /nfs/dbraw/zinc/86/51/19/796865119.db2.gz WTQQEZFEISYFTD-VXGBXAGGSA-N 1 2 326.849 2.162 20 30 EEEDLO N#Cc1cnc(NCCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(Cl)c1 ZINC001094867735 796867869 /nfs/dbraw/zinc/86/78/69/796867869.db2.gz QYGOYBITVKNQRB-VXGBXAGGSA-N 1 2 344.806 2.052 20 30 EEEDLO N#Cc1cnc(NCCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c(Cl)c1 ZINC001094867735 796867873 /nfs/dbraw/zinc/86/78/73/796867873.db2.gz QYGOYBITVKNQRB-VXGBXAGGSA-N 1 2 344.806 2.052 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3cncc(OC)n3)[C@@H]2C)C1 ZINC000993793586 796997788 /nfs/dbraw/zinc/99/77/88/796997788.db2.gz UUCWRIDHGZFUGC-ZBFHGGJFSA-N 1 2 344.459 2.311 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3cncc(OC)n3)[C@@H]2C)C1 ZINC000993793586 796997793 /nfs/dbraw/zinc/99/77/93/796997793.db2.gz UUCWRIDHGZFUGC-ZBFHGGJFSA-N 1 2 344.459 2.311 20 30 EEEDLO C[C@H](CCCC#N)[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001172494892 797006658 /nfs/dbraw/zinc/00/66/58/797006658.db2.gz ZHXNNVZHZIRTBA-CQSZACIVSA-N 1 2 339.436 2.214 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001082041831 797114024 /nfs/dbraw/zinc/11/40/24/797114024.db2.gz NNZVRUGPGNJRRV-HOTGVXAUSA-N 1 2 346.475 2.442 20 30 EEEDLO N#Cc1c(F)cccc1NC1(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001110167336 797149717 /nfs/dbraw/zinc/14/97/17/797149717.db2.gz QSHGVECSGWIAKS-UHFFFAOYSA-N 1 2 341.390 2.435 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnn3cc(C)cnc23)[C@H]1C ZINC000993907513 797149930 /nfs/dbraw/zinc/14/99/30/797149930.db2.gz STMFLXUIODKHTD-UKRRQHHQSA-N 1 2 347.850 2.373 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn3cc(C)cnc23)[C@H]1C ZINC000993907513 797149934 /nfs/dbraw/zinc/14/99/34/797149934.db2.gz STMFLXUIODKHTD-UKRRQHHQSA-N 1 2 347.850 2.373 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001082100672 797173282 /nfs/dbraw/zinc/17/32/82/797173282.db2.gz SZZQIWVKSTUNNO-ZBFHGGJFSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001082100672 797173286 /nfs/dbraw/zinc/17/32/86/797173286.db2.gz SZZQIWVKSTUNNO-ZBFHGGJFSA-N 1 2 332.448 2.052 20 30 EEEDLO N#Cc1cccnc1NC[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001061024451 797202259 /nfs/dbraw/zinc/20/22/59/797202259.db2.gz DKYOWUYWRWRAHT-ZDUSSCGKSA-N 1 2 346.394 2.404 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3cnc(C)cn3)C[C@H]2OC)C1 ZINC001082111947 797216905 /nfs/dbraw/zinc/21/69/05/797216905.db2.gz PFSPPRYIOFZKON-USXIJHARSA-N 1 2 344.459 2.018 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3cnc(C)cn3)C[C@H]2OC)C1 ZINC001082111947 797216913 /nfs/dbraw/zinc/21/69/13/797216913.db2.gz PFSPPRYIOFZKON-USXIJHARSA-N 1 2 344.459 2.018 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(F)F)C2 ZINC001095092106 797335061 /nfs/dbraw/zinc/33/50/61/797335061.db2.gz DABLUALLIUGKEL-ILXRZTDVSA-N 1 2 349.381 2.444 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(F)F)C2 ZINC001095092106 797335065 /nfs/dbraw/zinc/33/50/65/797335065.db2.gz DABLUALLIUGKEL-ILXRZTDVSA-N 1 2 349.381 2.444 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(F)F)cc2F)[C@H](OC)C1 ZINC001082272239 797367906 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/nfs/dbraw/zinc/98/99/35/798989935.db2.gz ILIXWSCYAMQPPL-ONEGZZNKSA-N 1 2 326.444 2.085 20 30 EEEDLO C=CCn1cccc1C(=O)NC1CC[NH+](Cc2cc(C)on2)CC1 ZINC001003030967 799079433 /nfs/dbraw/zinc/07/94/33/799079433.db2.gz XRKGHPMHKOHLDM-UHFFFAOYSA-N 1 2 328.416 2.365 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)/C(C)=C/CC)CC2)C1 ZINC001065704216 799350164 /nfs/dbraw/zinc/35/01/64/799350164.db2.gz KKQOKMGCVWJSRJ-WLIXUPRESA-N 1 2 347.503 2.444 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)/C(C)=C/C)CC2)C1 ZINC001065703934 799350759 /nfs/dbraw/zinc/35/07/59/799350759.db2.gz HIPWPCWQSJFAPD-BNSMALCHSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)CC)C2)CC1 ZINC001065689030 799361980 /nfs/dbraw/zinc/36/19/80/799361980.db2.gz TWDBFAKMMLWDDK-SJORKVTESA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@]3(C)C=CCC3)CC2)C1 ZINC001065695526 799374895 /nfs/dbraw/zinc/37/48/95/799374895.db2.gz XJFYOUPEGKQEMX-FXAWDEMLSA-N 1 2 345.487 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EEEDLO N#C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC001178987256 799733140 /nfs/dbraw/zinc/73/31/40/799733140.db2.gz YESUBCPLZQRYJW-OALUTQOASA-N 1 2 335.407 2.268 20 30 EEEDLO N#C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC001178987256 799733143 /nfs/dbraw/zinc/73/31/43/799733143.db2.gz YESUBCPLZQRYJW-OALUTQOASA-N 1 2 335.407 2.268 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(COC)no2)[C@@H]1C ZINC001179464239 799937225 /nfs/dbraw/zinc/93/72/25/799937225.db2.gz XNHYOIVZSAXEME-IHRRRGAJSA-N 1 2 336.436 2.212 20 30 EEEDLO CN(C(=O)C(C)(F)F)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032856647 800133034 /nfs/dbraw/zinc/13/30/34/800133034.db2.gz OOMRUJCTLRYCBT-CYBMUJFWSA-N 1 2 325.334 2.385 20 30 EEEDLO CN(C(=O)C(C)(F)F)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032856647 800133038 /nfs/dbraw/zinc/13/30/38/800133038.db2.gz OOMRUJCTLRYCBT-CYBMUJFWSA-N 1 2 325.334 2.385 20 30 EEEDLO Cc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]2O)c1 ZINC001090042194 800217666 /nfs/dbraw/zinc/21/76/66/800217666.db2.gz NZOIBFKEOKVSSU-VQTJNVASSA-N 1 2 349.434 2.232 20 30 EEEDLO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]2O)c1 ZINC001090042194 800217670 /nfs/dbraw/zinc/21/76/70/800217670.db2.gz NZOIBFKEOKVSSU-VQTJNVASSA-N 1 2 349.434 2.232 20 30 EEEDLO C=CCCC[N@@H+](CCO)C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001098371593 800330844 /nfs/dbraw/zinc/33/08/44/800330844.db2.gz ZZKDHMVCONVRSG-CYBMUJFWSA-N 1 2 340.361 2.138 20 30 EEEDLO C=CCCC[N@H+](CCO)C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001098371593 800330847 /nfs/dbraw/zinc/33/08/47/800330847.db2.gz ZZKDHMVCONVRSG-CYBMUJFWSA-N 1 2 340.361 2.138 20 30 EEEDLO C=CCCC[N@@H+](CCO)C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001098371593 800330851 /nfs/dbraw/zinc/33/08/51/800330851.db2.gz ZZKDHMVCONVRSG-CYBMUJFWSA-N 1 2 340.361 2.138 20 30 EEEDLO C=CCCC[N@H+](CCO)C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001098371593 800330854 /nfs/dbraw/zinc/33/08/54/800330854.db2.gz ZZKDHMVCONVRSG-CYBMUJFWSA-N 1 2 340.361 2.138 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CCO[C@H](C)C2)CC1 ZINC001003858117 800373965 /nfs/dbraw/zinc/37/39/65/800373965.db2.gz INRHQWQDQIMQLX-OLZOCXBDSA-N 1 2 345.281 2.291 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NCC3(Nc4ccc(C#N)cn4)CC3)ccn12 ZINC001110238429 800481342 /nfs/dbraw/zinc/48/13/42/800481342.db2.gz JFALHOIHPXGEHR-UHFFFAOYSA-N 1 2 346.394 2.284 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1)C(=O)[C@H]1CCCO1 ZINC001085472100 800583966 /nfs/dbraw/zinc/58/39/66/800583966.db2.gz FQJIBILEUCGSSS-ZWKOTPCHSA-N 1 2 346.858 2.403 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1)C(=O)[C@H]1CCCO1 ZINC001085472100 800583971 /nfs/dbraw/zinc/58/39/71/800583971.db2.gz FQJIBILEUCGSSS-ZWKOTPCHSA-N 1 2 346.858 2.403 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F)C(=O)C1=COCCC1 ZINC001085510510 800665993 /nfs/dbraw/zinc/66/59/93/800665993.db2.gz WYXZEGAPWOQQER-KRWDZBQOSA-N 1 2 343.402 2.424 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1F)C(=O)C1=COCCC1 ZINC001085510510 800665997 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C=CCc1cc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc(OC)c1O ZINC000092703148 218158635 /nfs/dbraw/zinc/15/86/35/218158635.db2.gz ZQXIVCIGFOCLPF-CVEARBPZSA-N 1 2 330.428 2.372 20 30 EEEDLO C=CCc1cc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc(OC)c1O ZINC000092703148 218158636 /nfs/dbraw/zinc/15/86/36/218158636.db2.gz ZQXIVCIGFOCLPF-CVEARBPZSA-N 1 2 330.428 2.372 20 30 EEEDLO Cc1ccc(N2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)cc1 ZINC000273647995 256315078 /nfs/dbraw/zinc/31/50/78/256315078.db2.gz YVAZBYYHZKSLHF-UHFFFAOYSA-N 1 2 348.450 2.305 20 30 EEEDLO C#C[C@H](CCC)NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000491451604 533310501 /nfs/dbraw/zinc/31/05/01/533310501.db2.gz GSSWPFFYXVEXSB-HUUCEWRRSA-N 1 2 335.473 2.223 20 30 EEEDLO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000191828663 533439942 /nfs/dbraw/zinc/43/99/42/533439942.db2.gz XCUVWUXOJCDWOW-OSMZGAPFSA-N 1 2 347.415 2.226 20 30 EEEDLO COC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000191828663 533439948 /nfs/dbraw/zinc/43/99/48/533439948.db2.gz XCUVWUXOJCDWOW-OSMZGAPFSA-N 1 2 347.415 2.226 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](C[C@H](O)c3ccc(F)c(F)c3)CC2)c1 ZINC000051877495 132181732 /nfs/dbraw/zinc/18/17/32/132181732.db2.gz XZZQGWLRHGCUHT-KRWDZBQOSA-N 1 2 344.365 2.087 20 30 EEEDLO CCOc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115596900 152033191 /nfs/dbraw/zinc/03/31/91/152033191.db2.gz FRDBTXIGWWURLV-SFHVURJKSA-N 1 2 339.395 2.282 20 30 EEEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000102936688 159270087 /nfs/dbraw/zinc/27/00/87/159270087.db2.gz QDPRASQLVMHHRV-SFHVURJKSA-N 1 2 344.374 2.194 20 30 EEEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000102936688 159270089 /nfs/dbraw/zinc/27/00/89/159270089.db2.gz QDPRASQLVMHHRV-SFHVURJKSA-N 1 2 344.374 2.194 20 30 EEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000120539127 159392507 /nfs/dbraw/zinc/39/25/07/159392507.db2.gz WFEAAHZLPFHLFW-INIZCTEOSA-N 1 2 349.438 2.271 20 30 EEEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H]1C ZINC000345541336 161310115 /nfs/dbraw/zinc/31/01/15/161310115.db2.gz MAVMLJUAUNITNT-VXGBXAGGSA-N 1 2 341.864 2.315 20 30 EEEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H]1C ZINC000345541336 161310116 /nfs/dbraw/zinc/31/01/16/161310116.db2.gz MAVMLJUAUNITNT-VXGBXAGGSA-N 1 2 341.864 2.315 20 30 EEEDLO Cn1c[nH+]cc1CNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000355262918 163126778 /nfs/dbraw/zinc/12/67/78/163126778.db2.gz HSZMPGAWFLGJBJ-UHFFFAOYSA-N 1 2 336.351 2.394 20 30 EEEDLO C[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1)c1cccc(C#N)c1 ZINC000360470040 164316875 /nfs/dbraw/zinc/31/68/75/164316875.db2.gz QQNKQHZIGXAVSJ-CRAIPNDOSA-N 1 2 349.438 2.185 20 30 EEEDLO C[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1)c1cccc(C#N)c1 ZINC000360470040 164316877 /nfs/dbraw/zinc/31/68/77/164316877.db2.gz QQNKQHZIGXAVSJ-CRAIPNDOSA-N 1 2 349.438 2.185 20 30 EEEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(C)c1)CCC2 ZINC000368915855 166150838 /nfs/dbraw/zinc/15/08/38/166150838.db2.gz OIYPBIXJMQGCBX-OAHLLOKOSA-N 1 2 344.440 2.228 20 30 EEEDLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)nn1 ZINC000369973813 166368383 /nfs/dbraw/zinc/36/83/83/166368383.db2.gz MWCUPIIQDWMMTB-AWEZNQCLSA-N 1 2 345.790 2.037 20 30 EEEDLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)nn1 ZINC000369973813 166368386 /nfs/dbraw/zinc/36/83/86/166368386.db2.gz MWCUPIIQDWMMTB-AWEZNQCLSA-N 1 2 345.790 2.037 20 30 EEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)c2sccc2C#N)C1 ZINC000442825071 266853044 /nfs/dbraw/zinc/85/30/44/266853044.db2.gz HZBKVLDMQYMKBY-KRWDZBQOSA-N 1 2 349.456 2.156 20 30 EEEDLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2ccc(C#N)s2)C[C@H](C)O1 ZINC000331443187 267053407 /nfs/dbraw/zinc/05/34/07/267053407.db2.gz XWCRNHQGUKQSMF-HZSPNIEDSA-N 1 2 333.457 2.334 20 30 EEEDLO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2ccc(C#N)s2)C[C@H](C)O1 ZINC000331443187 267053409 /nfs/dbraw/zinc/05/34/09/267053409.db2.gz XWCRNHQGUKQSMF-HZSPNIEDSA-N 1 2 333.457 2.334 20 30 EEEDLO Cc1c(C#N)cccc1NC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000333135945 267285082 /nfs/dbraw/zinc/28/50/82/267285082.db2.gz JLQWSFXOKSMINK-QGZVFWFLSA-N 1 2 342.443 2.441 20 30 EEEDLO Cc1c(C#N)cccc1NC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000333135945 267285085 /nfs/dbraw/zinc/28/50/85/267285085.db2.gz JLQWSFXOKSMINK-QGZVFWFLSA-N 1 2 342.443 2.441 20 30 EEEDLO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000496509546 267317151 /nfs/dbraw/zinc/31/71/51/267317151.db2.gz ZTONTYCFAQTRRQ-HNNXBMFYSA-N 1 2 337.395 2.015 20 30 EEEDLO C[N@H+](Cc1ccc(F)cc1C#N)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000496509546 267317153 /nfs/dbraw/zinc/31/71/53/267317153.db2.gz ZTONTYCFAQTRRQ-HNNXBMFYSA-N 1 2 337.395 2.015 20 30 EEEDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2cc(C)c([N+](=O)[O-])cc2C#N)C1 ZINC000413312149 267364753 /nfs/dbraw/zinc/36/47/53/267364753.db2.gz PWTDWOIHTDWUAP-CYBMUJFWSA-N 1 2 346.387 2.072 20 30 EEEDLO COC(=O)C[N@H+]1CCC[C@H](CNc2cc(C)c([N+](=O)[O-])cc2C#N)C1 ZINC000413312149 267364758 /nfs/dbraw/zinc/36/47/58/267364758.db2.gz PWTDWOIHTDWUAP-CYBMUJFWSA-N 1 2 346.387 2.072 20 30 EEEDLO N#Cc1ccc(OC2CCN(C(=O)CCn3cc[nH+]c3)CC2)c(F)c1 ZINC000286767278 268164938 /nfs/dbraw/zinc/16/49/38/268164938.db2.gz SWJGZSJAGGXNJU-UHFFFAOYSA-N 1 2 342.374 2.354 20 30 EEEDLO N#Cc1ccc(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)s1 ZINC000420827732 268228347 /nfs/dbraw/zinc/22/83/47/268228347.db2.gz WFGKIQXURFFHMW-UHFFFAOYSA-N 1 2 341.440 2.483 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000444716453 268279648 /nfs/dbraw/zinc/27/96/48/268279648.db2.gz GDAUAJOHZVTEGO-WFASDCNBSA-N 1 2 341.333 2.132 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000444716453 268279649 /nfs/dbraw/zinc/27/96/49/268279649.db2.gz GDAUAJOHZVTEGO-WFASDCNBSA-N 1 2 341.333 2.132 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000275248281 269104317 /nfs/dbraw/zinc/10/43/17/269104317.db2.gz GBVIGJIYVFUNSL-GDBMZVCRSA-N 1 2 325.372 2.334 20 30 EEEDLO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cscn1 ZINC000277225513 269144191 /nfs/dbraw/zinc/14/41/91/269144191.db2.gz LTXKJRXXKVNKII-IUODEOHRSA-N 1 2 326.425 2.466 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H](Nc3nc[nH+]c(N)c3Cl)C2=O)cc1 ZINC000277833904 269188584 /nfs/dbraw/zinc/18/85/84/269188584.db2.gz PVJKJOWCSWSXGM-GFCCVEGCSA-N 1 2 342.790 2.191 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H](Nc3[nH+]cnc(N)c3Cl)C2=O)cc1 ZINC000277833904 269188585 /nfs/dbraw/zinc/18/85/85/269188585.db2.gz PVJKJOWCSWSXGM-GFCCVEGCSA-N 1 2 342.790 2.191 20 30 EEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000175665420 311431469 /nfs/dbraw/zinc/43/14/69/311431469.db2.gz QCOOIRHPBLPNDP-UHFFFAOYSA-N 1 2 335.772 2.194 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1C#N ZINC000565872588 319221757 /nfs/dbraw/zinc/22/17/57/319221757.db2.gz DKDPPYODTPRHAA-CKFHNAJUSA-N 1 2 344.411 2.113 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1C#N ZINC000565872588 319221760 /nfs/dbraw/zinc/22/17/60/319221760.db2.gz DKDPPYODTPRHAA-CKFHNAJUSA-N 1 2 344.411 2.113 20 30 EEEDLO N#Cc1ccncc1N1CCN(c2nc(C3CC3)[nH+]c3c2CCC3)CC1 ZINC000574746816 320052797 /nfs/dbraw/zinc/05/27/97/320052797.db2.gz JEOXZCDDYLTQKG-UHFFFAOYSA-N 1 2 346.438 2.436 20 30 EEEDLO N#Cc1ccc2c(c1)[C@@H](Nc1cnn(CC[NH+]3CCOCC3)c1)CC2 ZINC000575098658 320086167 /nfs/dbraw/zinc/08/61/67/320086167.db2.gz RVIQMDAKKSQLQG-IBGZPJMESA-N 1 2 337.427 2.186 20 30 EEEDLO COC(=O)c1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)cs1 ZINC000577718383 320271225 /nfs/dbraw/zinc/27/12/25/320271225.db2.gz OXWFUDMCJAAKFV-UHFFFAOYSA-N 1 2 342.424 2.124 20 30 EEEDLO CC(C)[C@H](C#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000347492678 465055168 /nfs/dbraw/zinc/05/51/68/465055168.db2.gz KEXOTYKMJZZTKW-INIZCTEOSA-N 1 2 339.399 2.190 20 30 EEEDLO CCc1nc(C[N@H+](C)C[C@@H](O)COc2ccccc2C#N)cs1 ZINC000328343148 465059915 /nfs/dbraw/zinc/05/99/15/465059915.db2.gz LRFOPLRGYNEHEX-OAHLLOKOSA-N 1 2 331.441 2.449 20 30 EEEDLO CCc1nc(C[N@@H+](C)C[C@@H](O)COc2ccccc2C#N)cs1 ZINC000328343148 465059922 /nfs/dbraw/zinc/05/99/22/465059922.db2.gz LRFOPLRGYNEHEX-OAHLLOKOSA-N 1 2 331.441 2.449 20 30 EEEDLO CC(C)(C(=O)NCc1ccc2c(c1)C(=O)NCC2)[NH+]1CCOCC1 ZINC000328673039 465095635 /nfs/dbraw/zinc/09/56/35/465095635.db2.gz IRDHSWNETRPPLA-UHFFFAOYSA-N 1 2 331.416 2.115 20 30 EEEDLO O=C(N[C@H]1CCCN(c2ccccc2F)C1)N1CCn2cc[nH+]c2C1 ZINC000328919969 465168192 /nfs/dbraw/zinc/16/81/92/465168192.db2.gz LRIVJGYMYGZUOX-AWEZNQCLSA-N 1 2 343.406 2.421 20 30 EEEDLO COc1cc(CN2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)ccn1 ZINC000328943174 465176290 /nfs/dbraw/zinc/17/62/90/465176290.db2.gz UIMCWIGHEBEKQJ-HNNXBMFYSA-N 1 2 346.475 2.495 20 30 EEEDLO Cc1cc2cccnc2c(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000328963270 465183126 /nfs/dbraw/zinc/18/31/26/465183126.db2.gz LJXPZGSOZOKTQN-IRXDYDNUSA-N 1 2 340.427 2.494 20 30 EEEDLO Cc1cc2cccnc2c(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000328963270 465183131 /nfs/dbraw/zinc/18/31/31/465183131.db2.gz LJXPZGSOZOKTQN-IRXDYDNUSA-N 1 2 340.427 2.494 20 30 EEEDLO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329044687 465214521 /nfs/dbraw/zinc/21/45/21/465214521.db2.gz PKILGFMBGYTPEK-JQWIXIFHSA-N 1 2 328.376 2.203 20 30 EEEDLO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329044687 465214525 /nfs/dbraw/zinc/21/45/25/465214525.db2.gz PKILGFMBGYTPEK-JQWIXIFHSA-N 1 2 328.376 2.203 20 30 EEEDLO Cc1nc([C@@H]2CCCN2C(=O)NCc2cn3ccccc3[nH+]2)no1 ZINC000329274671 465286858 /nfs/dbraw/zinc/28/68/58/465286858.db2.gz ILRAEQJZVHGQFO-ZDUSSCGKSA-N 1 2 326.360 2.277 20 30 EEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCOC[C@@H]1CC(F)F ZINC000329263193 465283680 /nfs/dbraw/zinc/28/36/80/465283680.db2.gz DJQWHRJFDZWKKW-RYUDHWBXSA-N 1 2 328.363 2.031 20 30 EEEDLO CCc1ccccc1NC(=O)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000063456821 462646629 /nfs/dbraw/zinc/64/66/29/462646629.db2.gz YRWIEIJIUYSYEI-UHFFFAOYSA-N 1 2 332.429 2.484 20 30 EEEDLO Cc1noc(C2CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)n1 ZINC000064940188 462728304 /nfs/dbraw/zinc/72/83/04/462728304.db2.gz VQYKLZICZIXKQR-UHFFFAOYSA-N 1 2 345.447 2.242 20 30 EEEDLO C#CC[N@@H+](C/C(C)=C\c1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 ZINC000491178779 468315122 /nfs/dbraw/zinc/31/51/22/468315122.db2.gz BGNJJULGNABDLN-KVVHSQDJSA-N 1 2 347.480 2.359 20 30 EEEDLO C#CC[N@H+](C/C(C)=C\c1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 ZINC000491178779 468315125 /nfs/dbraw/zinc/31/51/25/468315125.db2.gz BGNJJULGNABDLN-KVVHSQDJSA-N 1 2 347.480 2.359 20 30 EEEDLO N#CCCN(CCOc1cccc(Cl)c1)CC[NH+]1CCOCC1 ZINC000130188718 462743336 /nfs/dbraw/zinc/74/33/36/462743336.db2.gz AVLXLGNHAXJKMB-UHFFFAOYSA-N 1 2 337.851 2.267 20 30 EEEDLO N#C[C@@H]1CC[C@H](n2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000590724918 468317474 /nfs/dbraw/zinc/31/74/74/468317474.db2.gz VSELSPLBAFFABO-IXDOHACOSA-N 1 2 338.415 2.111 20 30 EEEDLO N#C[C@@H]1CC[C@H](n2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000590724918 468317480 /nfs/dbraw/zinc/31/74/80/468317480.db2.gz VSELSPLBAFFABO-IXDOHACOSA-N 1 2 338.415 2.111 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnc(C2CCC2)s1 ZINC000154752095 462805463 /nfs/dbraw/zinc/80/54/63/462805463.db2.gz QQUOZWCKQOCDFE-UHFFFAOYSA-N 1 2 334.489 2.458 20 30 EEEDLO COC(=O)[C@@H](C)C[N@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091066654 462828614 /nfs/dbraw/zinc/82/86/14/462828614.db2.gz PVYRYVARHSTTIL-ZDUSSCGKSA-N 1 2 326.400 2.293 20 30 EEEDLO COC(=O)[C@@H](C)C[N@@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091066654 462828617 /nfs/dbraw/zinc/82/86/17/462828617.db2.gz PVYRYVARHSTTIL-ZDUSSCGKSA-N 1 2 326.400 2.293 20 30 EEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1CO ZINC000118400317 462836055 /nfs/dbraw/zinc/83/60/55/462836055.db2.gz JULOZCCJYJHUQH-UONOGXRCSA-N 1 2 333.457 2.476 20 30 EEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1CO ZINC000118400317 462836062 /nfs/dbraw/zinc/83/60/62/462836062.db2.gz JULOZCCJYJHUQH-UONOGXRCSA-N 1 2 333.457 2.476 20 30 EEEDLO C#CC[N@@H+](Cc1nnc2n1c1ccccc1c(=O)n2C)C1CCCCC1 ZINC000065960456 462844403 /nfs/dbraw/zinc/84/44/03/462844403.db2.gz LBBNACYMSNFQTM-UHFFFAOYSA-N 1 2 349.438 2.349 20 30 EEEDLO C#CC[N@H+](Cc1nnc2n1c1ccccc1c(=O)n2C)C1CCCCC1 ZINC000065960456 462844408 /nfs/dbraw/zinc/84/44/08/462844408.db2.gz LBBNACYMSNFQTM-UHFFFAOYSA-N 1 2 349.438 2.349 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CSC(F)(F)F)CC2)cc1 ZINC000048071614 462857465 /nfs/dbraw/zinc/85/74/65/462857465.db2.gz WXXAIRQQVHOJAY-UHFFFAOYSA-N 1 2 343.374 2.455 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1nc2ccccc2o1 ZINC000155599752 462915401 /nfs/dbraw/zinc/91/54/01/462915401.db2.gz QTQBYWZMPNGKBR-ZDUSSCGKSA-N 1 2 334.383 2.200 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1nc2ccccc2o1 ZINC000155599752 462915405 /nfs/dbraw/zinc/91/54/05/462915405.db2.gz QTQBYWZMPNGKBR-ZDUSSCGKSA-N 1 2 334.383 2.200 20 30 EEEDLO C#CC[N@H+](Cc1cccc(-c2ccccn2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092194124 462933106 /nfs/dbraw/zinc/93/31/06/462933106.db2.gz PVFDETZKVFTKLG-SFHVURJKSA-N 1 2 340.448 2.371 20 30 EEEDLO C#CC[N@@H+](Cc1cccc(-c2ccccn2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092194124 462933112 /nfs/dbraw/zinc/93/31/12/462933112.db2.gz PVFDETZKVFTKLG-SFHVURJKSA-N 1 2 340.448 2.371 20 30 EEEDLO Cc1ccc(C)c(C(=O)CCC(=O)NC2(C#N)CC[NH+](C)CC2)c1 ZINC000077038923 462937135 /nfs/dbraw/zinc/93/71/35/462937135.db2.gz UKYBNNRNDMJYPN-UHFFFAOYSA-N 1 2 327.428 2.371 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000066869446 462939345 /nfs/dbraw/zinc/93/93/45/462939345.db2.gz BBGWVZVUOLYDDW-UHFFFAOYSA-N 1 2 336.867 2.282 20 30 EEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000067117584 462967603 /nfs/dbraw/zinc/96/76/03/462967603.db2.gz WULLPEJZPLTFAK-INIZCTEOSA-N 1 2 333.432 2.237 20 30 EEEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000067117584 462967609 /nfs/dbraw/zinc/96/76/09/462967609.db2.gz WULLPEJZPLTFAK-INIZCTEOSA-N 1 2 333.432 2.237 20 30 EEEDLO C=C(Cl)CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000077572078 463006992 /nfs/dbraw/zinc/00/69/92/463006992.db2.gz JQSLEXKTCKXTJB-INIZCTEOSA-N 1 2 337.851 2.420 20 30 EEEDLO Cc1cc(CN2CC[NH+](CCOc3ccc(C#N)cc3)CC2)on1 ZINC000022252965 463046413 /nfs/dbraw/zinc/04/64/13/463046413.db2.gz GJECXUQIEYDONV-UHFFFAOYSA-N 1 2 326.400 2.051 20 30 EEEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)N3CCCCC3)CC2)cc1 ZINC000024245366 463081880 /nfs/dbraw/zinc/08/18/80/463081880.db2.gz YTILZXJYSHCNGD-UHFFFAOYSA-N 1 2 342.443 2.161 20 30 EEEDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](CCC#N)CC(C)(C)C)C1 ZINC000157241985 463111743 /nfs/dbraw/zinc/11/17/43/463111743.db2.gz GNILJYDCBSDBKZ-OAHLLOKOSA-N 1 2 337.464 2.050 20 30 EEEDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](CCC#N)CC(C)(C)C)C1 ZINC000157241985 463111749 /nfs/dbraw/zinc/11/17/49/463111749.db2.gz GNILJYDCBSDBKZ-OAHLLOKOSA-N 1 2 337.464 2.050 20 30 EEEDLO C=CC[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000121433924 463135160 /nfs/dbraw/zinc/13/51/60/463135160.db2.gz UZFHFJVSIDBFRV-CYBMUJFWSA-N 1 2 341.333 2.411 20 30 EEEDLO C=CC[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000121433924 463135162 /nfs/dbraw/zinc/13/51/62/463135162.db2.gz UZFHFJVSIDBFRV-CYBMUJFWSA-N 1 2 341.333 2.411 20 30 EEEDLO N#Cc1ccc(F)c(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000121654579 463173555 /nfs/dbraw/zinc/17/35/55/463173555.db2.gz UVBCCCWCMJNNOM-HNNXBMFYSA-N 1 2 339.374 2.170 20 30 EEEDLO CC(C)c1nc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000053603607 463177877 /nfs/dbraw/zinc/17/78/77/463177877.db2.gz ZFNYXIWRWAFPRV-UHFFFAOYSA-N 1 2 325.416 2.382 20 30 EEEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccc(Cl)cc3)[nH]c2=S)CC1 ZINC000029885990 463277319 /nfs/dbraw/zinc/27/73/19/463277319.db2.gz FUGHZFSDCXWCEQ-UHFFFAOYSA-N 1 2 347.875 2.469 20 30 EEEDLO Cc1cc(N2CCN(c3nccnc3C#N)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000097014143 463302671 /nfs/dbraw/zinc/30/26/71/463302671.db2.gz KFQBBZAGPHIXRZ-ZDUSSCGKSA-N 1 2 335.415 2.039 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000069778310 463325290 /nfs/dbraw/zinc/32/52/90/463325290.db2.gz YLKPZXWNWRYBAO-IUODEOHRSA-N 1 2 335.835 2.068 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000069778310 463325293 /nfs/dbraw/zinc/32/52/93/463325293.db2.gz YLKPZXWNWRYBAO-IUODEOHRSA-N 1 2 335.835 2.068 20 30 EEEDLO N#CC1CCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000144236132 463374686 /nfs/dbraw/zinc/37/46/86/463374686.db2.gz KKOAMNKAFBUBJH-UHFFFAOYSA-N 1 2 337.427 2.419 20 30 EEEDLO N#CCC[N@@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)CC1CC1 ZINC000081044966 463386746 /nfs/dbraw/zinc/38/67/46/463386746.db2.gz HJUUKBOTBPDGBI-SFHVURJKSA-N 1 2 340.471 2.255 20 30 EEEDLO N#CCC[N@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)CC1CC1 ZINC000081044966 463386749 /nfs/dbraw/zinc/38/67/49/463386749.db2.gz HJUUKBOTBPDGBI-SFHVURJKSA-N 1 2 340.471 2.255 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCCc2ccccc21 ZINC000058411565 463594398 /nfs/dbraw/zinc/59/43/98/463594398.db2.gz JCMDIOPSKRZIGR-LJQANCHMSA-N 1 2 341.455 2.181 20 30 EEEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000058438573 463599439 /nfs/dbraw/zinc/59/94/39/463599439.db2.gz SSOCNAFYCRZGMX-UHFFFAOYSA-N 1 2 349.434 2.324 20 30 EEEDLO Cc1ccc(CCC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(C)c1 ZINC000073869462 463663883 /nfs/dbraw/zinc/66/38/83/463663883.db2.gz LYPHLBNGJSDZBW-UHFFFAOYSA-N 1 2 343.471 2.311 20 30 EEEDLO C[C@H](C1CC1)N(C(=O)CO[NH+]=C(N)c1ccc(F)c(F)c1)C1CC1 ZINC000177480549 463716521 /nfs/dbraw/zinc/71/65/21/463716521.db2.gz FQHKANKPTQEESU-SNVBAGLBSA-N 1 2 337.370 2.391 20 30 EEEDLO COCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(C)o1 ZINC000268406762 463732136 /nfs/dbraw/zinc/73/21/36/463732136.db2.gz CLWNZUCBMRCIJZ-UHFFFAOYSA-N 1 2 341.411 2.225 20 30 EEEDLO COCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(C)o1 ZINC000268406762 463732140 /nfs/dbraw/zinc/73/21/40/463732140.db2.gz CLWNZUCBMRCIJZ-UHFFFAOYSA-N 1 2 341.411 2.225 20 30 EEEDLO COc1cc(C(N)=[NH+]OCCC2OCCCO2)cc(Cl)c1OC ZINC000268538123 463784720 /nfs/dbraw/zinc/78/47/20/463784720.db2.gz YRDBMZINRNTTLE-UHFFFAOYSA-N 1 2 344.795 2.147 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000287058004 463787420 /nfs/dbraw/zinc/78/74/20/463787420.db2.gz UHNGDZGSVPNMRU-YJBOKZPZSA-N 1 2 333.407 2.118 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000287058004 463787424 /nfs/dbraw/zinc/78/74/24/463787424.db2.gz UHNGDZGSVPNMRU-YJBOKZPZSA-N 1 2 333.407 2.118 20 30 EEEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000590958911 468383922 /nfs/dbraw/zinc/38/39/22/468383922.db2.gz SXQQNNFHMHLYHY-GRDNDAEWSA-N 1 2 340.427 2.422 20 30 EEEDLO Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000283541959 463919651 /nfs/dbraw/zinc/91/96/51/463919651.db2.gz PEHDMXUPIYGKJF-UHFFFAOYSA-N 1 2 345.410 2.075 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000287964047 464026104 /nfs/dbraw/zinc/02/61/04/464026104.db2.gz YVODNIWHGNMUIH-HNNXBMFYSA-N 1 2 339.233 2.294 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000287964047 464026109 /nfs/dbraw/zinc/02/61/09/464026109.db2.gz YVODNIWHGNMUIH-HNNXBMFYSA-N 1 2 339.233 2.294 20 30 EEEDLO CCN(C(=O)CO[NH+]=C(N)[C@H]1CCCO1)[C@@H](C)c1ccc(F)cc1 ZINC000283890981 464031962 /nfs/dbraw/zinc/03/19/62/464031962.db2.gz CYOZKDFANPQTSD-SWLSCSKDSA-N 1 2 337.395 2.203 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000172563206 464106647 /nfs/dbraw/zinc/10/66/47/464106647.db2.gz NMPRVJATFDLTBM-HNNXBMFYSA-N 1 2 348.878 2.446 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000179817964 464192374 /nfs/dbraw/zinc/19/23/74/464192374.db2.gz WABSHFLUQZUNFO-DOMZBBRYSA-N 1 2 333.436 2.242 20 30 EEEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000180032762 464227268 /nfs/dbraw/zinc/22/72/68/464227268.db2.gz MCYHEQHMPWQWHN-NSHDSACASA-N 1 2 333.823 2.182 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000280691596 464231734 /nfs/dbraw/zinc/23/17/34/464231734.db2.gz FSXPTQUPROWCQI-VKJFTORMSA-N 1 2 332.448 2.078 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000280691596 464231740 /nfs/dbraw/zinc/23/17/40/464231740.db2.gz FSXPTQUPROWCQI-VKJFTORMSA-N 1 2 332.448 2.078 20 30 EEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000180095015 464241149 /nfs/dbraw/zinc/24/11/49/464241149.db2.gz INWSHAZBCVQDMR-CQSZACIVSA-N 1 2 346.431 2.210 20 30 EEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000180095015 464241156 /nfs/dbraw/zinc/24/11/56/464241156.db2.gz INWSHAZBCVQDMR-CQSZACIVSA-N 1 2 346.431 2.210 20 30 EEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188697334 464344920 /nfs/dbraw/zinc/34/49/20/464344920.db2.gz DQZVZMJJKKXRES-UHFFFAOYSA-N 1 2 338.367 2.056 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2Cl)C1=O ZINC000281227887 464378961 /nfs/dbraw/zinc/37/89/61/464378961.db2.gz KUPDAPQUAWCPSX-HNNXBMFYSA-N 1 2 336.819 2.345 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(C(=O)OC)ccc2Cl)C1=O ZINC000281227887 464378965 /nfs/dbraw/zinc/37/89/65/464378965.db2.gz KUPDAPQUAWCPSX-HNNXBMFYSA-N 1 2 336.819 2.345 20 30 EEEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000285152475 464468758 /nfs/dbraw/zinc/46/87/58/464468758.db2.gz XTEYWOUITXLRAH-LJQANCHMSA-N 1 2 345.443 2.288 20 30 EEEDLO C#CC[N@@H+](CN1C[C@](C)(COC)CC1=O)[C@H]1CCc2ccccc21 ZINC000245423129 464479565 /nfs/dbraw/zinc/47/95/65/464479565.db2.gz QOXLJOFRDWFZLS-AZUAARDMSA-N 1 2 326.440 2.452 20 30 EEEDLO C#CC[N@H+](CN1C[C@](C)(COC)CC1=O)[C@H]1CCc2ccccc21 ZINC000245423129 464479577 /nfs/dbraw/zinc/47/95/77/464479577.db2.gz QOXLJOFRDWFZLS-AZUAARDMSA-N 1 2 326.440 2.452 20 30 EEEDLO Cc1cc(NC(=O)NCCCNc2cccc[nH+]2)nn1CCC#N ZINC000272139804 464493827 /nfs/dbraw/zinc/49/38/27/464493827.db2.gz WIPPFUMOVSHNAI-UHFFFAOYSA-N 1 2 327.392 2.124 20 30 EEEDLO CCc1ccc([C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO2)cc1 ZINC000190321545 464621442 /nfs/dbraw/zinc/62/14/42/464621442.db2.gz CNMPKFZRUOKLOO-YJBOKZPZSA-N 1 2 329.444 2.383 20 30 EEEDLO CCc1ccc([C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO2)cc1 ZINC000190321545 464621446 /nfs/dbraw/zinc/62/14/46/464621446.db2.gz CNMPKFZRUOKLOO-YJBOKZPZSA-N 1 2 329.444 2.383 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000281900248 464627489 /nfs/dbraw/zinc/62/74/89/464627489.db2.gz XCXWFWAROUZLMA-NVXWUHKLSA-N 1 2 333.432 2.088 20 30 EEEDLO CS(=O)(=O)c1ccc(OCCC[N@H+](CCC#N)CC2CC2)cc1 ZINC000176256631 464732937 /nfs/dbraw/zinc/73/29/37/464732937.db2.gz CSJFVEVSNONPSY-UHFFFAOYSA-N 1 2 336.457 2.485 20 30 EEEDLO CS(=O)(=O)c1ccc(OCCC[N@@H+](CCC#N)CC2CC2)cc1 ZINC000176256631 464732938 /nfs/dbraw/zinc/73/29/38/464732938.db2.gz CSJFVEVSNONPSY-UHFFFAOYSA-N 1 2 336.457 2.485 20 30 EEEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1-c1ccc(F)cc1F ZINC000579845143 468422977 /nfs/dbraw/zinc/42/29/77/468422977.db2.gz WCYKMCLWAFGKMI-KRWDZBQOSA-N 1 2 347.369 2.033 20 30 EEEDLO C[C@H](c1nnnn1C1CC1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000191996272 464844105 /nfs/dbraw/zinc/84/41/05/464844105.db2.gz PTJKPMBFCDUFTD-CYBMUJFWSA-N 1 2 338.415 2.484 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000184059139 464943020 /nfs/dbraw/zinc/94/30/20/464943020.db2.gz GVYSUBCPJOMIKS-ROUUACIJSA-N 1 2 346.471 2.173 20 30 EEEDLO C[C@@H](O)C[N@@H+]1CCN(c2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC000192798264 464998757 /nfs/dbraw/zinc/99/87/57/464998757.db2.gz KXAPOUJWOFHEJX-NWDGAFQWSA-N 1 2 338.249 2.212 20 30 EEEDLO C[C@@H](O)C[N@H+]1CCN(c2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC000192798264 464998761 /nfs/dbraw/zinc/99/87/61/464998761.db2.gz KXAPOUJWOFHEJX-NWDGAFQWSA-N 1 2 338.249 2.212 20 30 EEEDLO COCC1(C#N)CC[NH+](Cc2c(OC)cc(OC)cc2OC)CC1 ZINC000342837005 465356428 /nfs/dbraw/zinc/35/64/28/465356428.db2.gz JMRXMFLNWOOUOL-UHFFFAOYSA-N 1 2 334.416 2.465 20 30 EEEDLO Cc1csc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)n1 ZINC000329762235 465426065 /nfs/dbraw/zinc/42/60/65/465426065.db2.gz SKGALWDCAWQNQJ-ZDUSSCGKSA-N 1 2 336.461 2.374 20 30 EEEDLO Cc1csc(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)n1 ZINC000329762235 465426072 /nfs/dbraw/zinc/42/60/72/465426072.db2.gz SKGALWDCAWQNQJ-ZDUSSCGKSA-N 1 2 336.461 2.374 20 30 EEEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CCc3c[nH]nc3C2)C1 ZINC000329867189 465457177 /nfs/dbraw/zinc/45/71/77/465457177.db2.gz VQHRLFDVYNJJOU-HUUCEWRRSA-N 1 2 342.447 2.277 20 30 EEEDLO Cn1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)c([C@@H]2CCOC2)n1 ZINC000329866954 465457983 /nfs/dbraw/zinc/45/79/83/465457983.db2.gz VICVHBJZNNCLQB-CYBMUJFWSA-N 1 2 343.431 2.004 20 30 EEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4oc(C5CC5)nc4c3)C[C@H]21 ZINC000329933371 465478683 /nfs/dbraw/zinc/47/86/83/465478683.db2.gz PZJOWODTSVUFQY-ZBFHGGJFSA-N 1 2 342.399 2.266 20 30 EEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4oc(C5CC5)nc4c3)C[C@H]21 ZINC000329933371 465478687 /nfs/dbraw/zinc/47/86/87/465478687.db2.gz PZJOWODTSVUFQY-ZBFHGGJFSA-N 1 2 342.399 2.266 20 30 EEEDLO O=C(C[N@H+]1CCSC[C@@H]1CCO)Nc1nc2c(s1)CCCC2 ZINC000329970635 465492365 /nfs/dbraw/zinc/49/23/65/465492365.db2.gz XGKFQBSYZFKWHS-NSHDSACASA-N 1 2 341.502 2.410 20 30 EEEDLO O=C(C[N@@H+]1CCSC[C@@H]1CCO)Nc1nc2c(s1)CCCC2 ZINC000329970635 465492370 /nfs/dbraw/zinc/49/23/70/465492370.db2.gz XGKFQBSYZFKWHS-NSHDSACASA-N 1 2 341.502 2.410 20 30 EEEDLO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C#N)CC3)C2=O)cc1Cl ZINC000352279760 465512398 /nfs/dbraw/zinc/51/23/98/465512398.db2.gz POYPVOVBNJEILJ-AWEZNQCLSA-N 1 2 347.802 2.216 20 30 EEEDLO CC(C)OCc1ccccc1CNC(=O)C[NH+]1CCC(C#N)CC1 ZINC000352369848 465521305 /nfs/dbraw/zinc/52/13/05/465521305.db2.gz BMIVUGASXAMNBL-UHFFFAOYSA-N 1 2 329.444 2.463 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(C(N)=O)c3)CC2)c(F)c1 ZINC000337691434 465521437 /nfs/dbraw/zinc/52/14/37/465521437.db2.gz OTQBAYFMZXMDRT-UHFFFAOYSA-N 1 2 338.386 2.118 20 30 EEEDLO CC(C)n1cc2cc(NC(=O)NC[C@@H]3CN(C)CC[N@@H+]3C)ccc2n1 ZINC000330074736 465524218 /nfs/dbraw/zinc/52/42/18/465524218.db2.gz FVJUBDSVJHCUSN-MRXNPFEDSA-N 1 2 344.463 2.189 20 30 EEEDLO CC(C)n1cc2cc(NC(=O)NC[C@@H]3CN(C)CC[N@H+]3C)ccc2n1 ZINC000330074736 465524229 /nfs/dbraw/zinc/52/42/29/465524229.db2.gz FVJUBDSVJHCUSN-MRXNPFEDSA-N 1 2 344.463 2.189 20 30 EEEDLO CC(C)NC(=O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348307825 465543256 /nfs/dbraw/zinc/54/32/56/465543256.db2.gz PUODJFQCCQHBGU-MRXNPFEDSA-N 1 2 334.851 2.047 20 30 EEEDLO N#CC1(F)CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000352745315 465551418 /nfs/dbraw/zinc/55/14/18/465551418.db2.gz IOQYGOXONCYXAW-UHFFFAOYSA-N 1 2 328.351 2.186 20 30 EEEDLO [O-]C(N[C@@H]1CCOc2ccc(F)cc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330183149 465560894 /nfs/dbraw/zinc/56/08/94/465560894.db2.gz HSHSVHXDIVQRHR-TZMCWYRMSA-N 1 2 330.363 2.364 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC[C@@H]1CCO)C2 ZINC000330244604 465583630 /nfs/dbraw/zinc/58/36/30/465583630.db2.gz DGNRYLSGBAZBIL-UONOGXRCSA-N 1 2 334.464 2.256 20 30 EEEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1C[C@@H](O)C1(C)C)CC2 ZINC000330321900 465611151 /nfs/dbraw/zinc/61/11/51/465611151.db2.gz SILAHVQPJUZMKI-IAGOWNOFSA-N 1 2 348.443 2.178 20 30 EEEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1C[C@@H](O)C1(C)C)CC2 ZINC000330321900 465611157 /nfs/dbraw/zinc/61/11/57/465611157.db2.gz SILAHVQPJUZMKI-IAGOWNOFSA-N 1 2 348.443 2.178 20 30 EEEDLO C[C@@H]1CCC[C@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)[C@H]1C ZINC000330341509 465621084 /nfs/dbraw/zinc/62/10/84/465621084.db2.gz ZIDMEKSFKXCXNO-UGUYLWEFSA-N 1 2 333.480 2.447 20 30 EEEDLO COC(=O)CC1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000330560501 465707201 /nfs/dbraw/zinc/70/72/01/465707201.db2.gz SEXPMPYGDFDWHF-LBPRGKRZSA-N 1 2 347.415 2.370 20 30 EEEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000357113657 465783536 /nfs/dbraw/zinc/78/35/36/465783536.db2.gz ZXOXITBVMPRPFU-QGZVFWFLSA-N 1 2 329.444 2.328 20 30 EEEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000357113657 465783542 /nfs/dbraw/zinc/78/35/42/465783542.db2.gz ZXOXITBVMPRPFU-QGZVFWFLSA-N 1 2 329.444 2.328 20 30 EEEDLO Cc1[nH]nc(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)c1C#N ZINC000357246627 465886446 /nfs/dbraw/zinc/88/64/46/465886446.db2.gz SKOWXDOVIUPBHW-UHFFFAOYSA-N 1 2 330.298 2.165 20 30 EEEDLO N#CCCCOc1cccnc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000366711532 465892036 /nfs/dbraw/zinc/89/20/36/465892036.db2.gz RVECVAHVMKBDLE-CYBMUJFWSA-N 1 2 325.372 2.162 20 30 EEEDLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000340319061 465987378 /nfs/dbraw/zinc/98/73/78/465987378.db2.gz RYAHETYQFHIQRL-LLVKDONJSA-N 1 2 348.472 2.018 20 30 EEEDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000340319061 465987385 /nfs/dbraw/zinc/98/73/85/465987385.db2.gz RYAHETYQFHIQRL-LLVKDONJSA-N 1 2 348.472 2.018 20 30 EEEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)c[nH]1 ZINC000597183013 468474262 /nfs/dbraw/zinc/47/42/62/468474262.db2.gz HYDHPTOYGQCXJR-UHFFFAOYSA-N 1 2 330.413 2.057 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+](CCC)CC(=O)Nc1ccccc1OC ZINC000357627558 466190095 /nfs/dbraw/zinc/19/00/95/466190095.db2.gz NLIZPPVYGPBVAR-CQSZACIVSA-N 1 2 333.432 2.036 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+](CCC)CC(=O)Nc1ccccc1OC ZINC000357627558 466190101 /nfs/dbraw/zinc/19/01/01/466190101.db2.gz NLIZPPVYGPBVAR-CQSZACIVSA-N 1 2 333.432 2.036 20 30 EEEDLO N#CC1(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)CCC1 ZINC000346859016 466205821 /nfs/dbraw/zinc/20/58/21/466205821.db2.gz BHEKCTIBJHWZMD-UHFFFAOYSA-N 1 2 332.835 2.024 20 30 EEEDLO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C[C@H](C)O1 ZINC000363173439 466262250 /nfs/dbraw/zinc/26/22/50/466262250.db2.gz DSRNUOJHUMCIGK-OGWHTMIXSA-N 1 2 341.455 2.394 20 30 EEEDLO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C[C@H](C)O1 ZINC000363173439 466262256 /nfs/dbraw/zinc/26/22/56/466262256.db2.gz DSRNUOJHUMCIGK-OGWHTMIXSA-N 1 2 341.455 2.394 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2CC[C@H](OC)C[C@H]2C(=O)OC)cc1OC ZINC000374890700 466758516 /nfs/dbraw/zinc/75/85/16/466758516.db2.gz BJSLYOYPNMHECL-HOTGVXAUSA-N 1 2 349.427 2.412 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C(=O)OC)cc1OC ZINC000374890700 466758522 /nfs/dbraw/zinc/75/85/22/466758522.db2.gz BJSLYOYPNMHECL-HOTGVXAUSA-N 1 2 349.427 2.412 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccn3)CC2)cc1F ZINC000365272187 466763198 /nfs/dbraw/zinc/76/31/98/466763198.db2.gz IEVJFYKOHCVJCM-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccn3)CC2)cc1F ZINC000365272187 466763204 /nfs/dbraw/zinc/76/32/04/466763204.db2.gz IEVJFYKOHCVJCM-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365667060 466902164 /nfs/dbraw/zinc/90/21/64/466902164.db2.gz DKYURFLASZVDOQ-MSOLQXFVSA-N 1 2 337.379 2.321 20 30 EEEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)s2)C[C@H]1n1cc[nH+]c1 ZINC000377060330 467013004 /nfs/dbraw/zinc/01/30/04/467013004.db2.gz FUQMFAYMPGJJBR-WCQYABFASA-N 1 2 336.442 2.088 20 30 EEEDLO C=CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1)c1ccccc1 ZINC000412363133 467074519 /nfs/dbraw/zinc/07/45/19/467074519.db2.gz JLECGNDXPHAQAV-FUHWJXTLSA-N 1 2 344.455 2.348 20 30 EEEDLO C=CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1)c1ccccc1 ZINC000412363133 467074521 /nfs/dbraw/zinc/07/45/21/467074521.db2.gz JLECGNDXPHAQAV-FUHWJXTLSA-N 1 2 344.455 2.348 20 30 EEEDLO C[C@@H](Nc1cc(C(F)(F)F)cnc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000413131446 467175616 /nfs/dbraw/zinc/17/56/16/467175616.db2.gz ZOMHXKLGUXMHLX-GHMZBOCLSA-N 1 2 328.338 2.493 20 30 EEEDLO C[N@H+](CC(=O)NCCc1nc2ccccc2s1)CC(C)(C)C#N ZINC000433286697 467314535 /nfs/dbraw/zinc/31/45/35/467314535.db2.gz JZAUDDLAEUOGBO-UHFFFAOYSA-N 1 2 330.457 2.437 20 30 EEEDLO C[N@@H+](CC(=O)NCCc1nc2ccccc2s1)CC(C)(C)C#N ZINC000433286697 467314537 /nfs/dbraw/zinc/31/45/37/467314537.db2.gz JZAUDDLAEUOGBO-UHFFFAOYSA-N 1 2 330.457 2.437 20 30 EEEDLO Cc1ccc(-c2nnc(SC[C@@H](O)C[N@H+](C)CCC#N)o2)cc1 ZINC000414094725 467376418 /nfs/dbraw/zinc/37/64/18/467376418.db2.gz IWQNIRIDMWUUCK-AWEZNQCLSA-N 1 2 332.429 2.344 20 30 EEEDLO Cc1ccc(-c2nnc(SC[C@@H](O)C[N@@H+](C)CCC#N)o2)cc1 ZINC000414094725 467376423 /nfs/dbraw/zinc/37/64/23/467376423.db2.gz IWQNIRIDMWUUCK-AWEZNQCLSA-N 1 2 332.429 2.344 20 30 EEEDLO C[C@H](C#N)C[N@H+](C)CCNC(=O)NC(C)(C)COCc1ccccc1 ZINC000440709841 467570719 /nfs/dbraw/zinc/57/07/19/467570719.db2.gz KGAWGBQOJWAMMT-MRXNPFEDSA-N 1 2 346.475 2.372 20 30 EEEDLO C[C@H](C#N)C[N@@H+](C)CCNC(=O)NC(C)(C)COCc1ccccc1 ZINC000440709841 467570721 /nfs/dbraw/zinc/57/07/21/467570721.db2.gz KGAWGBQOJWAMMT-MRXNPFEDSA-N 1 2 346.475 2.372 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000457556223 467650265 /nfs/dbraw/zinc/65/02/65/467650265.db2.gz NVYLYJRNLVLUNJ-KRWDZBQOSA-N 1 2 328.416 2.058 20 30 EEEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnc(C4CC4)s3)CC2)c1C#N ZINC000527315057 467658433 /nfs/dbraw/zinc/65/84/33/467658433.db2.gz BMXBCBJTBMXKED-UHFFFAOYSA-N 1 2 342.472 2.256 20 30 EEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCc2sccc2C1 ZINC000528344583 467680394 /nfs/dbraw/zinc/68/03/94/467680394.db2.gz KIWDPQKZIAHZII-UHFFFAOYSA-N 1 2 336.416 2.406 20 30 EEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCc2sccc2C1 ZINC000528344583 467680398 /nfs/dbraw/zinc/68/03/98/467680398.db2.gz KIWDPQKZIAHZII-UHFFFAOYSA-N 1 2 336.416 2.406 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496819231 467718075 /nfs/dbraw/zinc/71/80/75/467718075.db2.gz MENBPEGDAXWAGU-CQSZACIVSA-N 1 2 339.480 2.256 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496819231 467718078 /nfs/dbraw/zinc/71/80/78/467718078.db2.gz MENBPEGDAXWAGU-CQSZACIVSA-N 1 2 339.480 2.256 20 30 EEEDLO COc1cc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc1OC(C)C ZINC000493341293 467890766 /nfs/dbraw/zinc/89/07/66/467890766.db2.gz VBTSOJSWSWYUCY-LHUXKHBRSA-N 1 2 345.443 2.456 20 30 EEEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1-c1ccc(Cl)cc1 ZINC000514865936 467959979 /nfs/dbraw/zinc/95/99/79/467959979.db2.gz OWRRMPWIRJVPTE-KRWDZBQOSA-N 1 2 345.834 2.408 20 30 EEEDLO COc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cn3)CC2)cc1F ZINC000515009430 467967751 /nfs/dbraw/zinc/96/77/51/467967751.db2.gz WGLBAJUBWCIYNC-UHFFFAOYSA-N 1 2 340.402 2.419 20 30 EEEDLO COc1ccc(CN2CC[NH+](Cc3ccc(C#N)cn3)CC2)cc1F ZINC000515009430 467967755 /nfs/dbraw/zinc/96/77/55/467967755.db2.gz WGLBAJUBWCIYNC-UHFFFAOYSA-N 1 2 340.402 2.419 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)cc1F ZINC000471822849 467976744 /nfs/dbraw/zinc/97/67/44/467976744.db2.gz NKAUDZWQOLRGGN-UHFFFAOYSA-N 1 2 343.406 2.070 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000574997540 468134630 /nfs/dbraw/zinc/13/46/30/468134630.db2.gz RUHAVGCNKKMZAZ-QYZOEREBSA-N 1 2 344.455 2.076 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc(F)cc1Br ZINC000575063394 468135597 /nfs/dbraw/zinc/13/55/97/468135597.db2.gz ULTBDXOVXXMWLK-CQSZACIVSA-N 1 2 342.212 2.091 20 30 EEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000575427035 468143806 /nfs/dbraw/zinc/14/38/06/468143806.db2.gz HNHHCMYJWLVFAE-KBPBESRZSA-N 1 2 328.416 2.422 20 30 EEEDLO C#CCN(CC)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000490574972 468220576 /nfs/dbraw/zinc/22/05/76/468220576.db2.gz IKATVJQNHZJPOW-GOSISDBHSA-N 1 2 329.444 2.033 20 30 EEEDLO C=CCCCCCNC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000570411493 468635807 /nfs/dbraw/zinc/63/58/07/468635807.db2.gz XPUQHTQQHKHXAT-UHFFFAOYSA-N 1 2 332.448 2.040 20 30 EEEDLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1cccc2ccccc21 ZINC000592147426 468638823 /nfs/dbraw/zinc/63/88/23/468638823.db2.gz LQCYLUXGWGSXQU-QRWLVFNGSA-N 1 2 337.423 2.367 20 30 EEEDLO C[C@@H](NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1cccc2ccccc21 ZINC000592147426 468638827 /nfs/dbraw/zinc/63/88/27/468638827.db2.gz LQCYLUXGWGSXQU-QRWLVFNGSA-N 1 2 337.423 2.367 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](Cc2ccc(Cl)cc2)C(=O)OC)nn1 ZINC000594656127 468645284 /nfs/dbraw/zinc/64/52/84/468645284.db2.gz FCUIMIBLBUJZEV-MRXNPFEDSA-N 1 2 346.818 2.001 20 30 EEEDLO CCCCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000600829560 468667237 /nfs/dbraw/zinc/66/72/37/468667237.db2.gz KREKIQACFAVRPH-CRAIPNDOSA-N 1 2 346.450 2.313 20 30 EEEDLO N#Cc1cnn2cc(C[N@@H+]3CCO[C@H](c4ccc(F)cc4)C3)cnc12 ZINC000592497988 468711554 /nfs/dbraw/zinc/71/15/54/468711554.db2.gz RDYZICXMUGTLLE-KRWDZBQOSA-N 1 2 337.358 2.314 20 30 EEEDLO N#Cc1cnn2cc(C[N@H+]3CCO[C@H](c4ccc(F)cc4)C3)cnc12 ZINC000592497988 468711558 /nfs/dbraw/zinc/71/15/58/468711558.db2.gz RDYZICXMUGTLLE-KRWDZBQOSA-N 1 2 337.358 2.314 20 30 EEEDLO N#Cc1cnn2cc(C[N@@H+](Cc3ccco3)C[C@H]3CCCO3)cnc12 ZINC000592500231 468712869 /nfs/dbraw/zinc/71/28/69/468712869.db2.gz MALRBSVCCKPADP-QGZVFWFLSA-N 1 2 337.383 2.375 20 30 EEEDLO N#Cc1cnn2cc(C[N@H+](Cc3ccco3)C[C@H]3CCCO3)cnc12 ZINC000592500231 468712874 /nfs/dbraw/zinc/71/28/74/468712874.db2.gz MALRBSVCCKPADP-QGZVFWFLSA-N 1 2 337.383 2.375 20 30 EEEDLO CC[C@@H](CC(F)F)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000594897709 468718202 /nfs/dbraw/zinc/71/82/02/468718202.db2.gz VGYXXUYQQHMYSF-ZDUSSCGKSA-N 1 2 339.386 2.234 20 30 EEEDLO C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[C@H](C)CO1 ZINC000597998715 468735161 /nfs/dbraw/zinc/73/51/61/468735161.db2.gz VJUWBKKPWPHQDS-ZIAGYGMSSA-N 1 2 347.434 2.200 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[C@H](C)CO1 ZINC000597998715 468735164 /nfs/dbraw/zinc/73/51/64/468735164.db2.gz VJUWBKKPWPHQDS-ZIAGYGMSSA-N 1 2 347.434 2.200 20 30 EEEDLO C=CCn1cc(C[NH2+]Cc2cc(Br)cc3c2OCC3)nn1 ZINC000571431723 468787949 /nfs/dbraw/zinc/78/79/49/468787949.db2.gz ODXKUZMERKJABH-UHFFFAOYSA-N 1 2 349.232 2.451 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)Cc1c[nH+]c[nH]1 ZINC000595597722 468917014 /nfs/dbraw/zinc/91/70/14/468917014.db2.gz SZZGOYOVROJBKF-ZDUSSCGKSA-N 1 2 329.379 2.316 20 30 EEEDLO CC(C)CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595631822 468931637 /nfs/dbraw/zinc/93/16/37/468931637.db2.gz IWHCJGBUZJHGSW-CQSZACIVSA-N 1 2 334.489 2.293 20 30 EEEDLO CC[C@@H](C#N)C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000593394515 468961534 /nfs/dbraw/zinc/96/15/34/468961534.db2.gz KVEQTRPVEJBXOF-BLLLJJGKSA-N 1 2 342.399 2.193 20 30 EEEDLO CCOc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)nn1 ZINC000595893626 469067599 /nfs/dbraw/zinc/06/75/99/469067599.db2.gz XTNXJJPMHRSJMV-UHFFFAOYSA-N 1 2 341.390 2.208 20 30 EEEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)c1 ZINC000602864731 469127497 /nfs/dbraw/zinc/12/74/97/469127497.db2.gz VGIUSAXOMPIRPI-UONOGXRCSA-N 1 2 330.432 2.387 20 30 EEEDLO N#Cc1cc(NC[C@H]2CCC[N@@H+]2CC(F)F)cc(N)c1[N+](=O)[O-] ZINC000599134602 469131296 /nfs/dbraw/zinc/13/12/96/469131296.db2.gz YLWHCFZRAUTTIK-LLVKDONJSA-N 1 2 325.319 2.190 20 30 EEEDLO N#Cc1cc(NC[C@H]2CCC[N@H+]2CC(F)F)cc(N)c1[N+](=O)[O-] ZINC000599134602 469131301 /nfs/dbraw/zinc/13/13/01/469131301.db2.gz YLWHCFZRAUTTIK-LLVKDONJSA-N 1 2 325.319 2.190 20 30 EEEDLO C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000611179544 469184913 /nfs/dbraw/zinc/18/49/13/469184913.db2.gz RHIODGGEYJPOEE-VXGBXAGGSA-N 1 2 333.457 2.282 20 30 EEEDLO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000611179544 469184916 /nfs/dbraw/zinc/18/49/16/469184916.db2.gz RHIODGGEYJPOEE-VXGBXAGGSA-N 1 2 333.457 2.282 20 30 EEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cc(O)cc(C#N)c1 ZINC000589176474 469208143 /nfs/dbraw/zinc/20/81/43/469208143.db2.gz GFJWDDDGSVFNJA-UHFFFAOYSA-N 1 2 338.289 2.295 20 30 EEEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCOc2cccc(F)c2C1 ZINC000599400718 469244218 /nfs/dbraw/zinc/24/42/18/469244218.db2.gz CXMGHDIVEJOGDE-OAHLLOKOSA-N 1 2 342.370 2.332 20 30 EEEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCOc2cccc(F)c2C1 ZINC000599400718 469244224 /nfs/dbraw/zinc/24/42/24/469244224.db2.gz CXMGHDIVEJOGDE-OAHLLOKOSA-N 1 2 342.370 2.332 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)c(F)c1 ZINC000611432403 469248911 /nfs/dbraw/zinc/24/89/11/469248911.db2.gz YRQGNZAQNUBMFK-QGZVFWFLSA-N 1 2 333.407 2.278 20 30 EEEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000565174487 469268338 /nfs/dbraw/zinc/26/83/38/469268338.db2.gz WXXOPNILQQVBQF-OAHLLOKOSA-N 1 2 337.345 2.455 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000615793945 469316843 /nfs/dbraw/zinc/31/68/43/469316843.db2.gz VPDBNRXKLDQGIV-FOIQADDNSA-N 1 2 339.439 2.111 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000615793945 469316848 /nfs/dbraw/zinc/31/68/48/469316848.db2.gz VPDBNRXKLDQGIV-FOIQADDNSA-N 1 2 339.439 2.111 20 30 EEEDLO Cc1cccc(N2CCN(C(=O)C[N@@H+]3CCC[C@](C)(C#N)C3)CC2)c1 ZINC000612158030 469407470 /nfs/dbraw/zinc/40/74/70/469407470.db2.gz GXPKCFIQVBVIFI-HXUWFJFHSA-N 1 2 340.471 2.269 20 30 EEEDLO Cc1cccc(N2CCN(C(=O)C[N@H+]3CCC[C@](C)(C#N)C3)CC2)c1 ZINC000612158030 469407476 /nfs/dbraw/zinc/40/74/76/469407476.db2.gz GXPKCFIQVBVIFI-HXUWFJFHSA-N 1 2 340.471 2.269 20 30 EEEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)CCO1 ZINC000619620551 469652282 /nfs/dbraw/zinc/65/22/82/469652282.db2.gz GQJASSTWFCGSMH-HNNXBMFYSA-N 1 2 338.448 2.129 20 30 EEEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CCO1 ZINC000619620551 469652286 /nfs/dbraw/zinc/65/22/86/469652286.db2.gz GQJASSTWFCGSMH-HNNXBMFYSA-N 1 2 338.448 2.129 20 30 EEEDLO C=CCN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)[C@@H](C)COC ZINC000617578388 469733403 /nfs/dbraw/zinc/73/34/03/469733403.db2.gz IVDVEOOHHUYVKH-INIZCTEOSA-N 1 2 332.444 2.182 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N(C(C)C)C2CCCC2)CC1 ZINC000609539426 469937932 /nfs/dbraw/zinc/93/79/32/469937932.db2.gz ZOIDCQKVPPEARR-SFHVURJKSA-N 1 2 334.508 2.332 20 30 EEEDLO N#CCCn1cc(C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c2ccccc21 ZINC000646031225 470499234 /nfs/dbraw/zinc/49/92/34/470499234.db2.gz ONWQNLYMMKZMFL-IBGZPJMESA-N 1 2 336.395 2.088 20 30 EEEDLO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c2ccccc21 ZINC000646031225 470499239 /nfs/dbraw/zinc/49/92/39/470499239.db2.gz ONWQNLYMMKZMFL-IBGZPJMESA-N 1 2 336.395 2.088 20 30 EEEDLO Cc1cc(C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c(C)n1CC(F)(F)F ZINC000646031245 470499412 /nfs/dbraw/zinc/49/94/12/470499412.db2.gz SLNNSNNSGIPLPZ-HNNXBMFYSA-N 1 2 343.349 2.200 20 30 EEEDLO Cc1cc(C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c(C)n1CC(F)(F)F ZINC000646031245 470499418 /nfs/dbraw/zinc/49/94/18/470499418.db2.gz SLNNSNNSGIPLPZ-HNNXBMFYSA-N 1 2 343.349 2.200 20 30 EEEDLO C=C(C)[C@H](CC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1)OCC ZINC000633896663 470625556 /nfs/dbraw/zinc/62/55/56/470625556.db2.gz UALFSZNDZOQFRN-SFHVURJKSA-N 1 2 332.444 2.408 20 30 EEEDLO C=CCCn1cc(C[NH2+]Cc2cc(F)ccc2N2CCOCC2)nn1 ZINC000657372784 471117771 /nfs/dbraw/zinc/11/77/71/471117771.db2.gz KSKRBIIEFALCQK-UHFFFAOYSA-N 1 2 345.422 2.120 20 30 EEEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C)cc2N2CCOCC2)nn1 ZINC000657389967 471121880 /nfs/dbraw/zinc/12/18/80/471121880.db2.gz QAWNTGHZSJPLSK-UHFFFAOYSA-N 1 2 341.459 2.289 20 30 EEEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000658703992 471373139 /nfs/dbraw/zinc/37/31/39/471373139.db2.gz VXQQAHODWKQXPF-ZACQAIPSSA-N 1 2 344.459 2.107 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664078343 471630698 /nfs/dbraw/zinc/63/06/98/471630698.db2.gz LWBSYLRBCZPHJV-JKSUJKDBSA-N 1 2 347.459 2.160 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664078343 471630703 /nfs/dbraw/zinc/63/07/03/471630703.db2.gz LWBSYLRBCZPHJV-JKSUJKDBSA-N 1 2 347.459 2.160 20 30 EEEDLO C=CCCn1cc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)nn1 ZINC000653497796 471640899 /nfs/dbraw/zinc/64/08/99/471640899.db2.gz YOSSFXVLDKNYEX-INIZCTEOSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000582183261 485577235 /nfs/dbraw/zinc/57/72/35/485577235.db2.gz GPOCWQJDBFBHIM-AWEZNQCLSA-N 1 2 329.400 2.136 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000595828594 485609809 /nfs/dbraw/zinc/60/98/09/485609809.db2.gz LHEUFOYBLXFQBZ-CYBMUJFWSA-N 1 2 344.242 2.379 20 30 EEEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000672218219 486076215 /nfs/dbraw/zinc/07/62/15/486076215.db2.gz SWWNHDVCVBUASZ-AWEZNQCLSA-N 1 2 329.400 2.136 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(C#N)cn3)[C@@H]2C1 ZINC000496086351 534853482 /nfs/dbraw/zinc/85/34/82/534853482.db2.gz UGZDKNJOBFPXNF-GDBMZVCRSA-N 1 2 328.416 2.394 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(C#N)cn3)[C@@H]2C1 ZINC000496086351 534853487 /nfs/dbraw/zinc/85/34/87/534853487.db2.gz UGZDKNJOBFPXNF-GDBMZVCRSA-N 1 2 328.416 2.394 20 30 EEEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000171537767 526452543 /nfs/dbraw/zinc/45/25/43/526452543.db2.gz JACLDJUYWKWRAU-UHFFFAOYSA-N 1 2 334.363 2.033 20 30 EEEDLO CC(C)c1nc([C@@H]2CCC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)no1 ZINC000360160374 528304950 /nfs/dbraw/zinc/30/49/50/528304950.db2.gz YHYAEBSORWJOEM-FZKQIMNGSA-N 1 2 345.447 2.181 20 30 EEEDLO CC(C)c1nc([C@@H]2CCC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)no1 ZINC000360160374 528304958 /nfs/dbraw/zinc/30/49/58/528304958.db2.gz YHYAEBSORWJOEM-FZKQIMNGSA-N 1 2 345.447 2.181 20 30 EEEDLO C#CCN1CCC[C@H]1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000730104758 576715876 /nfs/dbraw/zinc/71/58/76/576715876.db2.gz UVQMLTCUCWVMSP-ZBFHGGJFSA-N 1 2 346.500 2.411 20 30 EEEDLO C#CCN1CCC[C@H]1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000730104758 576715877 /nfs/dbraw/zinc/71/58/77/576715877.db2.gz UVQMLTCUCWVMSP-ZBFHGGJFSA-N 1 2 346.500 2.411 20 30 EEEDLO COc1ccc(C[N@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1F ZINC000734484264 577299806 /nfs/dbraw/zinc/29/98/06/577299806.db2.gz PIABAQWIFPBEHC-QGZVFWFLSA-N 1 2 327.359 2.364 20 30 EEEDLO COc1ccc(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1F ZINC000734484264 577299807 /nfs/dbraw/zinc/29/98/07/577299807.db2.gz PIABAQWIFPBEHC-QGZVFWFLSA-N 1 2 327.359 2.364 20 30 EEEDLO CC(C)(CNN=C1CCCC[C@H]1[NH+]1CCCCC1)S(C)(=O)=O ZINC000774478354 577400585 /nfs/dbraw/zinc/40/05/85/577400585.db2.gz QKJNTELELAYUFG-OAHLLOKOSA-N 1 2 329.510 2.184 20 30 EEEDLO O=S(=O)(NN=C1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000764722179 577487345 /nfs/dbraw/zinc/48/73/45/577487345.db2.gz VQFMSIFHSDPSJD-UHFFFAOYSA-N 1 2 347.415 2.366 20 30 EEEDLO O=S(=O)(NN=C1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000764722179 577487346 /nfs/dbraw/zinc/48/73/46/577487346.db2.gz VQFMSIFHSDPSJD-UHFFFAOYSA-N 1 2 347.415 2.366 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@](CC)(c2ccc(CC)cc2)C1=O ZINC000766661266 577522949 /nfs/dbraw/zinc/52/29/49/577522949.db2.gz AKZMVNWNTCPTRN-KUHUBIRLSA-N 1 2 327.428 2.317 20 30 EEEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@](CC)(c2ccc(CC)cc2)C1=O ZINC000766661266 577522950 /nfs/dbraw/zinc/52/29/50/577522950.db2.gz AKZMVNWNTCPTRN-KUHUBIRLSA-N 1 2 327.428 2.317 20 30 EEEDLO C#CCOc1ccccc1C[NH+]1CCN(Cc2cscn2)CC1 ZINC000769020011 577567490 /nfs/dbraw/zinc/56/74/90/577567490.db2.gz KWTLVOLGZGUHQB-UHFFFAOYSA-N 1 2 327.453 2.473 20 30 EEEDLO C#CCCCC(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000759318770 577640965 /nfs/dbraw/zinc/64/09/65/577640965.db2.gz ZNYIIPSGMBLWRD-UHFFFAOYSA-N 1 2 327.428 2.093 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CN2c3ccccc3S[C@@H](C)[C@@H]2C)CC1 ZINC000759345594 577641379 /nfs/dbraw/zinc/64/13/79/577641379.db2.gz JJOAFFZDHNVJJR-HOTGVXAUSA-N 1 2 343.496 2.153 20 30 EEEDLO C#CCOCCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000752503207 577771916 /nfs/dbraw/zinc/77/19/16/577771916.db2.gz ZOVOBKDIZQLNGU-IYBDPMFKSA-N 1 2 345.443 2.067 20 30 EEEDLO C#CCOCCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000752503207 577771917 /nfs/dbraw/zinc/77/19/17/577771917.db2.gz ZOVOBKDIZQLNGU-IYBDPMFKSA-N 1 2 345.443 2.067 20 30 EEEDLO CC(C)(C)SCCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000753992009 577798102 /nfs/dbraw/zinc/79/81/02/577798102.db2.gz GYGGLUDDDWXDFY-UHFFFAOYSA-N 1 2 341.521 2.373 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000756316097 577841991 /nfs/dbraw/zinc/84/19/91/577841991.db2.gz XUJXCUVWOKDRGX-ZDUSSCGKSA-N 1 2 325.372 2.344 20 30 EEEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC000744410219 577897349 /nfs/dbraw/zinc/89/73/49/577897349.db2.gz WBIPOPXKYGTPJH-UHFFFAOYSA-N 1 2 330.403 2.012 20 30 EEEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC000744410219 577897350 /nfs/dbraw/zinc/89/73/50/577897350.db2.gz WBIPOPXKYGTPJH-UHFFFAOYSA-N 1 2 330.403 2.012 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2cc(C)n(CC(F)(F)F)c2C)CC1 ZINC000744422935 577897536 /nfs/dbraw/zinc/89/75/36/577897536.db2.gz HVAVDXQEKZWZGV-UHFFFAOYSA-N 1 2 327.350 2.058 20 30 EEEDLO C=CCCCC(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000748240660 577958055 /nfs/dbraw/zinc/95/80/55/577958055.db2.gz RKLPRGRZZUNEHC-UHFFFAOYSA-N 1 2 336.457 2.292 20 30 EEEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C[C@H]1CCOC1 ZINC000749847060 577982910 /nfs/dbraw/zinc/98/29/10/577982910.db2.gz JYONSMKNXAXYKW-CHWSQXEVSA-N 1 2 329.425 2.441 20 30 EEEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C[C@H]1CCOC1 ZINC000749847060 577982911 /nfs/dbraw/zinc/98/29/11/577982911.db2.gz JYONSMKNXAXYKW-CHWSQXEVSA-N 1 2 329.425 2.441 20 30 EEEDLO N#CCC[C@@H](C#N)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826380451 608462339 /nfs/dbraw/zinc/46/23/39/608462339.db2.gz AWFBTMQOLCEBNW-AWEZNQCLSA-N 1 2 333.399 2.399 20 30 EEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826380451 608462340 /nfs/dbraw/zinc/46/23/40/608462340.db2.gz AWFBTMQOLCEBNW-AWEZNQCLSA-N 1 2 333.399 2.399 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3C#N)C2)o1 ZINC000969441918 675029606 /nfs/dbraw/zinc/02/96/06/675029606.db2.gz BBSXTMIMAULPTB-LBPRGKRZSA-N 1 2 338.411 2.413 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2nc(C)sc2C)C1 ZINC000970446124 675901150 /nfs/dbraw/zinc/90/11/50/675901150.db2.gz AHUBQXSSACEBPJ-JGFGOQIWSA-N 1 2 349.500 2.288 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c3ccccc3nn2C)C1 ZINC000970690927 676081160 /nfs/dbraw/zinc/08/11/60/676081160.db2.gz VRDJSXMKAGTIAQ-GFCCVEGCSA-N 1 2 332.835 2.376 20 30 EEEDLO C=C(Br)C[NH2+][C@@H]1CCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000969906680 675294347 /nfs/dbraw/zinc/29/43/47/675294347.db2.gz RYNIIUZRFUVNJI-MRVPVSSYSA-N 1 2 349.179 2.060 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC000970079561 675451847 /nfs/dbraw/zinc/45/18/47/675451847.db2.gz MQGJKKGREFMIQT-CYBMUJFWSA-N 1 2 332.835 2.445 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC000970995175 676302602 /nfs/dbraw/zinc/30/26/02/676302602.db2.gz AHBWZIFLLVQLQC-JTQLQIEISA-N 1 2 335.791 2.336 20 30 EEEDLO N#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001021703983 676364675 /nfs/dbraw/zinc/36/46/75/676364675.db2.gz OSSAAPROFKAXGW-PKOBYXMFSA-N 1 2 349.438 2.322 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)/C=C/c2ccc[nH]2)C1 ZINC000971411307 676536061 /nfs/dbraw/zinc/53/60/61/676536061.db2.gz SLXRCQFNNKTADH-GJBLVYBDSA-N 1 2 338.249 2.469 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)/C=C/c2ccc[nH]2)C1 ZINC000971411307 676536063 /nfs/dbraw/zinc/53/60/63/676536063.db2.gz SLXRCQFNNKTADH-GJBLVYBDSA-N 1 2 338.249 2.469 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2nccs2)C1 ZINC000971556486 676624083 /nfs/dbraw/zinc/62/40/83/676624083.db2.gz QTFDEBRVGWIGKV-ZNMIVQPWSA-N 1 2 335.473 2.157 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2nccs2)C1 ZINC000971556486 676624084 /nfs/dbraw/zinc/62/40/84/676624084.db2.gz QTFDEBRVGWIGKV-ZNMIVQPWSA-N 1 2 335.473 2.157 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3noc(C4CCC4)n3)C2)C1 ZINC001022681381 678221387 /nfs/dbraw/zinc/22/13/87/678221387.db2.gz VDBJDUAUNNRCMF-OKILXGFUSA-N 1 2 330.432 2.430 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)cs2)C1 ZINC000972372303 678620424 /nfs/dbraw/zinc/62/04/24/678620424.db2.gz FCFCMUQVZSHSRR-KFWWJZLASA-N 1 2 335.473 2.075 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)cs2)C1 ZINC000972372303 678620427 /nfs/dbraw/zinc/62/04/27/678620427.db2.gz FCFCMUQVZSHSRR-KFWWJZLASA-N 1 2 335.473 2.075 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)C2)C1 ZINC000972391922 678670962 /nfs/dbraw/zinc/67/09/62/678670962.db2.gz QFIFSGNRORKKOE-UYAOXDASSA-N 1 2 330.472 2.450 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)C2)C1 ZINC000972391922 678670964 /nfs/dbraw/zinc/67/09/64/678670964.db2.gz QFIFSGNRORKKOE-UYAOXDASSA-N 1 2 330.472 2.450 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(F)c(C)cc3F)C2)C1 ZINC000972419707 678715257 /nfs/dbraw/zinc/71/52/57/678715257.db2.gz IBCPNWVEKPJKFN-GOSISDBHSA-N 1 2 336.382 2.376 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(F)c(C)cc3F)C2)C1 ZINC000972419707 678715258 /nfs/dbraw/zinc/71/52/58/678715258.db2.gz IBCPNWVEKPJKFN-GOSISDBHSA-N 1 2 336.382 2.376 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3([C@H]4CCCCO4)CCC3)C2)C1 ZINC000972463184 678798899 /nfs/dbraw/zinc/79/88/99/678798899.db2.gz QZALLOCFJHKWFP-MJGOQNOKSA-N 1 2 348.487 2.215 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3([C@H]4CCCCO4)CCC3)C2)C1 ZINC000972463184 678798904 /nfs/dbraw/zinc/79/89/04/678798904.db2.gz QZALLOCFJHKWFP-MJGOQNOKSA-N 1 2 348.487 2.215 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nccc4ccccc43)C2)C1 ZINC000972525170 679162967 /nfs/dbraw/zinc/16/29/67/679162967.db2.gz ZNZATJFVIMMIIT-HXUWFJFHSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3nccc4ccccc43)C2)C1 ZINC000972525170 679162971 /nfs/dbraw/zinc/16/29/71/679162971.db2.gz ZNZATJFVIMMIIT-HXUWFJFHSA-N 1 2 337.423 2.338 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1cccnc1)CCO2 ZINC000972531401 679192142 /nfs/dbraw/zinc/19/21/42/679192142.db2.gz KPAQNOWFXQEWDP-PMACEKPBSA-N 1 2 343.471 2.487 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000972531401 679192144 /nfs/dbraw/zinc/19/21/44/679192144.db2.gz KPAQNOWFXQEWDP-PMACEKPBSA-N 1 2 343.471 2.487 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)c3ccccc3C)C2)C1 ZINC000972580689 679345927 /nfs/dbraw/zinc/34/59/27/679345927.db2.gz AIOKRMCWRRJODI-NQIIRXRSSA-N 1 2 340.467 2.425 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)c3ccccc3C)C2)C1 ZINC000972580689 679345930 /nfs/dbraw/zinc/34/59/30/679345930.db2.gz AIOKRMCWRRJODI-NQIIRXRSSA-N 1 2 340.467 2.425 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4ccccn4c3)C2)C1 ZINC000972582074 679351077 /nfs/dbraw/zinc/35/10/77/679351077.db2.gz LZQQIZVEDDXDJE-IBGZPJMESA-N 1 2 325.412 2.042 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4ccccn4c3)C2)C1 ZINC000972582074 679351078 /nfs/dbraw/zinc/35/10/78/679351078.db2.gz LZQQIZVEDDXDJE-IBGZPJMESA-N 1 2 325.412 2.042 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccn(C(CC)CC)n3)C2)C1 ZINC000972582140 679351662 /nfs/dbraw/zinc/35/16/62/679351662.db2.gz HOIVCNXDHVGMJM-LJQANCHMSA-N 1 2 346.475 2.347 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccn(C(CC)CC)n3)C2)C1 ZINC000972582140 679351664 /nfs/dbraw/zinc/35/16/64/679351664.db2.gz HOIVCNXDHVGMJM-LJQANCHMSA-N 1 2 346.475 2.347 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(C)nc3C(C)C)C2)C1 ZINC000972583282 679352858 /nfs/dbraw/zinc/35/28/58/679352858.db2.gz SCVZYMCYYATQKI-IBGZPJMESA-N 1 2 344.459 2.011 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(C)nc3C(C)C)C2)C1 ZINC000972583282 679352859 /nfs/dbraw/zinc/35/28/59/679352859.db2.gz SCVZYMCYYATQKI-IBGZPJMESA-N 1 2 344.459 2.011 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cscn3)C2)c1 ZINC001023583964 679394338 /nfs/dbraw/zinc/39/43/38/679394338.db2.gz RMYYVUMWVNSETR-HNNXBMFYSA-N 1 2 340.452 2.161 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cscn3)C2)c1 ZINC001023583964 679394341 /nfs/dbraw/zinc/39/43/41/679394341.db2.gz RMYYVUMWVNSETR-HNNXBMFYSA-N 1 2 340.452 2.161 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4scnc4c3)C2)C1 ZINC000972621687 679441897 /nfs/dbraw/zinc/44/18/97/679441897.db2.gz NXMZEJGRVJVIJF-GOSISDBHSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4scnc4c3)C2)C1 ZINC000972621687 679441899 /nfs/dbraw/zinc/44/18/99/679441899.db2.gz NXMZEJGRVJVIJF-GOSISDBHSA-N 1 2 343.452 2.399 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C(F)F)c3)C2)C1 ZINC000972641444 679484294 /nfs/dbraw/zinc/48/42/94/679484294.db2.gz SVDSKUQRWNRCFN-SFHVURJKSA-N 1 2 334.366 2.174 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C(F)F)c3)C2)C1 ZINC000972641444 679484295 /nfs/dbraw/zinc/48/42/95/679484295.db2.gz SVDSKUQRWNRCFN-SFHVURJKSA-N 1 2 334.366 2.174 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4ccccc4c3)C2)C1 ZINC000972655811 679518224 /nfs/dbraw/zinc/51/82/24/679518224.db2.gz PUVSMVFVUMRIDX-OAQYLSRUSA-N 1 2 334.419 2.390 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4ccccc4c3)C2)C1 ZINC000972655811 679518226 /nfs/dbraw/zinc/51/82/26/679518226.db2.gz PUVSMVFVUMRIDX-OAQYLSRUSA-N 1 2 334.419 2.390 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccccc3OCC)C2)C1 ZINC000972662561 679531400 /nfs/dbraw/zinc/53/14/00/679531400.db2.gz RDILWJHJMZSRNI-IBGZPJMESA-N 1 2 330.428 2.188 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccccc3OCC)C2)C1 ZINC000972662561 679531403 /nfs/dbraw/zinc/53/14/03/679531403.db2.gz RDILWJHJMZSRNI-IBGZPJMESA-N 1 2 330.428 2.188 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](NC(=O)C(C)C)C(C)(C)C2)c1 ZINC000972821980 679802195 /nfs/dbraw/zinc/80/21/95/679802195.db2.gz XNHRKKLSHVZKFF-QGZVFWFLSA-N 1 2 341.455 2.089 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](NC(=O)C(C)C)C(C)(C)C2)c1 ZINC000972821980 679802196 /nfs/dbraw/zinc/80/21/96/679802196.db2.gz XNHRKKLSHVZKFF-QGZVFWFLSA-N 1 2 341.455 2.089 20 30 EEEDLO Cn1nccc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024360513 679879152 /nfs/dbraw/zinc/87/91/52/679879152.db2.gz TZRLGUISDOTNTE-KRWDZBQOSA-N 1 2 337.427 2.076 20 30 EEEDLO Cn1nccc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024360513 679879153 /nfs/dbraw/zinc/87/91/53/679879153.db2.gz TZRLGUISDOTNTE-KRWDZBQOSA-N 1 2 337.427 2.076 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCn2nccc21 ZINC001024515480 680018211 /nfs/dbraw/zinc/01/82/11/680018211.db2.gz TXVLGNCRFJGZST-CABCVRRESA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCn2nccc21 ZINC001024515480 680018217 /nfs/dbraw/zinc/01/82/17/680018217.db2.gz TXVLGNCRFJGZST-CABCVRRESA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(Cl)n(C)n1 ZINC001024543794 680072962 /nfs/dbraw/zinc/07/29/62/680072962.db2.gz MFXRIYQFIWGAOM-NSHDSACASA-N 1 2 331.247 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(Cl)n(C)n1 ZINC001024543794 680072965 /nfs/dbraw/zinc/07/29/65/680072965.db2.gz MFXRIYQFIWGAOM-NSHDSACASA-N 1 2 331.247 2.410 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@]2(C)C[N@H+](Cc3ncnn3C)C[C@]2(C)C1 ZINC000982508662 681395307 /nfs/dbraw/zinc/39/53/07/681395307.db2.gz XEPNRDDFDZLXML-GBESFXJTSA-N 1 2 345.491 2.088 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@]2(C)C[N@@H+](Cc3ncnn3C)C[C@]2(C)C1 ZINC000982508662 681395313 /nfs/dbraw/zinc/39/53/13/681395313.db2.gz XEPNRDDFDZLXML-GBESFXJTSA-N 1 2 345.491 2.088 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(N(C)C)ccn1 ZINC001024821407 681468997 /nfs/dbraw/zinc/46/89/97/681468997.db2.gz NKPOWCUJEMBSEO-OAHLLOKOSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(N(C)C)ccn1 ZINC001024821407 681468999 /nfs/dbraw/zinc/46/89/99/681468999.db2.gz NKPOWCUJEMBSEO-OAHLLOKOSA-N 1 2 336.867 2.484 20 30 EEEDLO CO[C@H](C)C(=[NH2+])NOC=C(O)c1cc(C)n(Cc2ccco2)c1C ZINC000177759752 681495983 /nfs/dbraw/zinc/49/59/83/681495983.db2.gz YDXOBUCPLRTMMV-CYBMUJFWSA-N 1 2 333.388 2.253 20 30 EEEDLO C[C@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccccc3C#N)CC2)CCO1 ZINC000982966763 681586384 /nfs/dbraw/zinc/58/63/84/681586384.db2.gz LDKOJMJKRCURHB-IRXDYDNUSA-N 1 2 341.455 2.408 20 30 EEEDLO C[C@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)CCO1 ZINC000982966763 681586388 /nfs/dbraw/zinc/58/63/88/681586388.db2.gz LDKOJMJKRCURHB-IRXDYDNUSA-N 1 2 341.455 2.408 20 30 EEEDLO C[C@H]1C[C@@H](C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)CCO1 ZINC000982965642 681588262 /nfs/dbraw/zinc/58/82/62/681588262.db2.gz AYUJKSAEOUQIQM-ICSRJNTNSA-N 1 2 340.467 2.388 20 30 EEEDLO C[C@H]1C[C@@H](C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)CCO1 ZINC000982965642 681588266 /nfs/dbraw/zinc/58/82/66/681588266.db2.gz AYUJKSAEOUQIQM-ICSRJNTNSA-N 1 2 340.467 2.388 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)c(F)c1 ZINC001006546753 682281057 /nfs/dbraw/zinc/28/10/57/682281057.db2.gz QDIKWFQGVFYWPN-QGZVFWFLSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)c(F)c1 ZINC001006546753 682281060 /nfs/dbraw/zinc/28/10/60/682281060.db2.gz QDIKWFQGVFYWPN-QGZVFWFLSA-N 1 2 345.418 2.205 20 30 EEEDLO C=CC[N@H+]1C[C@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)C(C)(C)C1 ZINC000974824852 685586553 /nfs/dbraw/zinc/58/65/53/685586553.db2.gz JCGAWNLWAOGPET-JTQLQIEISA-N 1 2 330.354 2.363 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H](F)C1 ZINC001025778550 683269452 /nfs/dbraw/zinc/26/94/52/683269452.db2.gz UUWLRJBXMUOKNJ-POQQGIQPSA-N 1 2 345.256 2.470 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H](F)C1 ZINC001025778550 683269457 /nfs/dbraw/zinc/26/94/57/683269457.db2.gz UUWLRJBXMUOKNJ-POQQGIQPSA-N 1 2 345.256 2.470 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](NC(=O)C(F)F)[C@H]1C ZINC000992940434 683671408 /nfs/dbraw/zinc/67/14/08/683671408.db2.gz BSOFKLCMXXZRHK-RISCZKNCSA-N 1 2 337.370 2.301 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](NC(=O)C(F)F)[C@H]1C ZINC000992940434 683671413 /nfs/dbraw/zinc/67/14/13/683671413.db2.gz BSOFKLCMXXZRHK-RISCZKNCSA-N 1 2 337.370 2.301 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1conc1C ZINC001029312140 683965183 /nfs/dbraw/zinc/96/51/83/683965183.db2.gz RXTRMORWKCLGJF-XDNAFOTISA-N 1 2 345.443 2.139 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1conc1C ZINC001029312140 683965185 /nfs/dbraw/zinc/96/51/85/683965185.db2.gz RXTRMORWKCLGJF-XDNAFOTISA-N 1 2 345.443 2.139 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)Cc3coc(C)n3)C2)cn1 ZINC001027655985 693810493 /nfs/dbraw/zinc/81/04/93/693810493.db2.gz HOKFVFPULNNEGM-SFHVURJKSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3coc(C)n3)C2)cn1 ZINC001027655985 693810497 /nfs/dbraw/zinc/81/04/97/693810497.db2.gz HOKFVFPULNNEGM-SFHVURJKSA-N 1 2 338.411 2.096 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@@H+]1Cc1ccc(F)cn1 ZINC000993168852 684035489 /nfs/dbraw/zinc/03/54/89/684035489.db2.gz JDAZMWGBPJMXCF-LRDDRELGSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@H+]1Cc1ccc(F)cn1 ZINC000993168852 684035492 /nfs/dbraw/zinc/03/54/92/684035492.db2.gz JDAZMWGBPJMXCF-LRDDRELGSA-N 1 2 341.390 2.203 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3cc(C)on3)C2)nc1 ZINC001027656755 693815755 /nfs/dbraw/zinc/81/57/55/693815755.db2.gz YQEUNFMRMWEPBJ-QGZVFWFLSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3cc(C)on3)C2)nc1 ZINC001027656755 693815760 /nfs/dbraw/zinc/81/57/60/693815760.db2.gz YQEUNFMRMWEPBJ-QGZVFWFLSA-N 1 2 338.411 2.096 20 30 EEEDLO Cc1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)n1C ZINC001029441368 684630063 /nfs/dbraw/zinc/63/00/63/684630063.db2.gz LCDDVWGTLAWKKO-KDURUIRLSA-N 1 2 348.450 2.069 20 30 EEEDLO Cc1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)n1C ZINC001029441368 684630064 /nfs/dbraw/zinc/63/00/64/684630064.db2.gz LCDDVWGTLAWKKO-KDURUIRLSA-N 1 2 348.450 2.069 20 30 EEEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1cc(C(F)(F)F)cnc1C#N ZINC000895802165 684730892 /nfs/dbraw/zinc/73/08/92/684730892.db2.gz ZZESZHIQOIIOEX-LBPRGKRZSA-N 1 2 328.338 2.495 20 30 EEEDLO C[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029527106 685686406 /nfs/dbraw/zinc/68/64/06/685686406.db2.gz DRELNNUORJSHLX-ZJOBFFGXSA-N 1 2 345.468 2.220 20 30 EEEDLO C[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029527106 685686411 /nfs/dbraw/zinc/68/64/11/685686411.db2.gz DRELNNUORJSHLX-ZJOBFFGXSA-N 1 2 345.468 2.220 20 30 EEEDLO CCc1cnc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C[C@@H]2C)o1 ZINC000947216197 687132415 /nfs/dbraw/zinc/13/24/15/687132415.db2.gz DXEXOBOQFVKLAQ-QWHCGFSZSA-N 1 2 341.415 2.220 20 30 EEEDLO CCc1cnc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C[C@@H]2C)o1 ZINC000947216197 687132418 /nfs/dbraw/zinc/13/24/18/687132418.db2.gz DXEXOBOQFVKLAQ-QWHCGFSZSA-N 1 2 341.415 2.220 20 30 EEEDLO C[C@@H](c1nc(C2CC2)no1)[N@H+](C)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027402031 687934108 /nfs/dbraw/zinc/93/41/08/687934108.db2.gz LBIGJINQUDIESJ-BBRMVZONSA-N 1 2 342.443 2.344 20 30 EEEDLO C[C@@H](c1nc(C2CC2)no1)[N@@H+](C)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027402031 687934114 /nfs/dbraw/zinc/93/41/14/687934114.db2.gz LBIGJINQUDIESJ-BBRMVZONSA-N 1 2 342.443 2.344 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N(C)C2CCCCC2)cc1 ZINC000125463650 687966677 /nfs/dbraw/zinc/96/66/77/687966677.db2.gz OYBBIFDOVGCDLK-UHFFFAOYSA-N 1 2 333.432 2.318 20 30 EEEDLO CCc1nnc([C@H](C)[N@H+](C)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)o1 ZINC001027408385 687981243 /nfs/dbraw/zinc/98/12/43/687981243.db2.gz OGFGIOCFQUQWMF-DZGCQCFKSA-N 1 2 330.432 2.029 20 30 EEEDLO CCc1nnc([C@H](C)[N@@H+](C)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)o1 ZINC001027408385 687981246 /nfs/dbraw/zinc/98/12/46/687981246.db2.gz OGFGIOCFQUQWMF-DZGCQCFKSA-N 1 2 330.432 2.029 20 30 EEEDLO Cc1cnc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2C#N)cn1 ZINC001027732579 694202943 /nfs/dbraw/zinc/20/29/43/694202943.db2.gz OMFQVUIRRYKQDJ-QGZVFWFLSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1cnc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2C#N)cn1 ZINC001027732579 694202946 /nfs/dbraw/zinc/20/29/46/694202946.db2.gz OMFQVUIRRYKQDJ-QGZVFWFLSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC#Cc2ccc(F)cc2)on1 ZINC001027750316 694303873 /nfs/dbraw/zinc/30/38/73/694303873.db2.gz MCRWWSJJOYMRSB-QGZVFWFLSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC#Cc2ccc(F)cc2)on1 ZINC001027750316 694303878 /nfs/dbraw/zinc/30/38/78/694303878.db2.gz MCRWWSJJOYMRSB-QGZVFWFLSA-N 1 2 341.386 2.368 20 30 EEEDLO CC(C)CCc1noc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)n1 ZINC000988812949 691239579 /nfs/dbraw/zinc/23/95/79/691239579.db2.gz PIPAFRVJWBREGA-GOEBONIOSA-N 1 2 344.459 2.151 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc([C@H]3CCCO3)s2)C(C)(C)C1 ZINC000977248495 692389939 /nfs/dbraw/zinc/38/99/39/692389939.db2.gz GBEBLEHYUWBIBT-TZMCWYRMSA-N 1 2 333.457 2.068 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc([C@H]3CCCO3)s2)C(C)(C)C1 ZINC000977248495 692389940 /nfs/dbraw/zinc/38/99/40/692389940.db2.gz GBEBLEHYUWBIBT-TZMCWYRMSA-N 1 2 333.457 2.068 20 30 EEEDLO Cc1cc(C[N@@H+]2CC[C@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@H]23)no1 ZINC000990278080 692804567 /nfs/dbraw/zinc/80/45/67/692804567.db2.gz UMJXSQNDJJSREY-FUHWJXTLSA-N 1 2 339.399 2.110 20 30 EEEDLO Cc1cc(C[N@H+]2CC[C@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@H]23)no1 ZINC000990278080 692804572 /nfs/dbraw/zinc/80/45/72/692804572.db2.gz UMJXSQNDJJSREY-FUHWJXTLSA-N 1 2 339.399 2.110 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000938182909 693244415 /nfs/dbraw/zinc/24/44/15/693244415.db2.gz JKSQKJFAPNDUPN-HNNXBMFYSA-N 1 2 344.459 2.000 20 30 EEEDLO C[C@H]1C[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)CCO1 ZINC001032077639 1192249168 /nfs/dbraw/zinc/24/91/68/1192249168.db2.gz MAXRKSYEGAYLCR-MAUKXSAKSA-N 1 2 344.430 2.040 20 30 EEEDLO CC(C)c1ccc(-c2noc(C[NH2+]CCNC(=O)[C@H](C)C#N)n2)cc1 ZINC001124903878 1192481070 /nfs/dbraw/zinc/48/10/70/1192481070.db2.gz TWZJSYYSRUHGDA-CYBMUJFWSA-N 1 2 341.415 2.225 20 30 EEEDLO CCN(CCNc1ccc(C#N)nn1)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001107029945 1192724833 /nfs/dbraw/zinc/72/48/33/1192724833.db2.gz GHMDNMVCVHUTCZ-UHFFFAOYSA-N 1 2 338.415 2.243 20 30 EEEDLO C=CCCn1cc(C(=O)NC[C@@H](C)[N@H+](C)CC=C(Cl)Cl)nn1 ZINC001755318949 1181968558 /nfs/dbraw/zinc/96/85/58/1181968558.db2.gz DWBNUZCKHLUBKK-LLVKDONJSA-N 1 2 346.262 2.223 20 30 EEEDLO C=CCCn1cc(C(=O)NC[C@@H](C)[N@@H+](C)CC=C(Cl)Cl)nn1 ZINC001755318949 1181968566 /nfs/dbraw/zinc/96/85/66/1181968566.db2.gz DWBNUZCKHLUBKK-LLVKDONJSA-N 1 2 346.262 2.223 20 30 EEEDLO C[NH+](C)Cc1nc(CSCCNc2cnc(CC#N)nc2)cs1 ZINC001168109047 1186799390 /nfs/dbraw/zinc/79/93/90/1186799390.db2.gz YGVDOOAGYMBCNN-UHFFFAOYSA-N 1 2 348.501 2.406 20 30 EEEDLO Cc1ncoc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088507715 1187088758 /nfs/dbraw/zinc/08/87/58/1187088758.db2.gz DZQYCCGARFDZJQ-WBMJQRKESA-N 1 2 342.374 2.387 20 30 EEEDLO Cc1ncoc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088507715 1187088766 /nfs/dbraw/zinc/08/87/66/1187088766.db2.gz DZQYCCGARFDZJQ-WBMJQRKESA-N 1 2 342.374 2.387 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC2(F)F)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088556748 1187348172 /nfs/dbraw/zinc/34/81/72/1187348172.db2.gz KDXAEIXSKNAEAN-ONERCXAPSA-N 1 2 337.345 2.432 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC2(F)F)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088556748 1187348174 /nfs/dbraw/zinc/34/81/74/1187348174.db2.gz KDXAEIXSKNAEAN-ONERCXAPSA-N 1 2 337.345 2.432 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnc(C(F)(F)F)nc1 ZINC001482605838 1187356891 /nfs/dbraw/zinc/35/68/91/1187356891.db2.gz HXTNXVAWKCIADI-UHFFFAOYSA-N 1 2 336.745 2.252 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnc(C(F)(F)F)nc1 ZINC001482605838 1187356894 /nfs/dbraw/zinc/35/68/94/1187356894.db2.gz HXTNXVAWKCIADI-UHFFFAOYSA-N 1 2 336.745 2.252 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc(-c2ncon2)cc1 ZINC001482644591 1187476826 /nfs/dbraw/zinc/47/68/26/1187476826.db2.gz ZZBHNAKILAKKSR-UHFFFAOYSA-N 1 2 334.807 2.493 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc(-c2ncon2)cc1 ZINC001482644591 1187476829 /nfs/dbraw/zinc/47/68/29/1187476829.db2.gz ZZBHNAKILAKKSR-UHFFFAOYSA-N 1 2 334.807 2.493 20 30 EEEDLO CC/C=C(/C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001211964269 1187484941 /nfs/dbraw/zinc/48/49/41/1187484941.db2.gz IDUCKURAGUHQCP-WQHYGHCLSA-N 1 2 333.457 2.291 20 30 EEEDLO CC/C=C(/C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001211964269 1187484943 /nfs/dbraw/zinc/48/49/43/1187484943.db2.gz IDUCKURAGUHQCP-WQHYGHCLSA-N 1 2 333.457 2.291 20 30 EEEDLO CCc1nnc(C[N@@H+]2CCC[C@@H]([C@@H](C)NC(=O)C#CC(C)C)C2)s1 ZINC001752836591 1187669276 /nfs/dbraw/zinc/66/92/76/1187669276.db2.gz ONIXRYJFCTVVFP-HUUCEWRRSA-N 1 2 348.516 2.477 20 30 EEEDLO CCc1nnc(C[N@H+]2CCC[C@@H]([C@@H](C)NC(=O)C#CC(C)C)C2)s1 ZINC001752836591 1187669280 /nfs/dbraw/zinc/66/92/80/1187669280.db2.gz ONIXRYJFCTVVFP-HUUCEWRRSA-N 1 2 348.516 2.477 20 30 EEEDLO N#CC1(CC(=O)N2CC3(CC[N@@H+]3CCn3ccnc3)C2)CCCCC1 ZINC001272130518 1187941334 /nfs/dbraw/zinc/94/13/34/1187941334.db2.gz GSXZYLUTJFHVBZ-UHFFFAOYSA-N 1 2 341.459 2.034 20 30 EEEDLO N#CC1(CC(=O)N2CC3(CC[N@H+]3CCn3ccnc3)C2)CCCCC1 ZINC001272130518 1187941336 /nfs/dbraw/zinc/94/13/36/1187941336.db2.gz GSXZYLUTJFHVBZ-UHFFFAOYSA-N 1 2 341.459 2.034 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)CCN(C)c2ccc(C#N)cn2)c(C)[nH+]1 ZINC001105621300 1188341951 /nfs/dbraw/zinc/34/19/51/1188341951.db2.gz SJZNKGKDJCCPDK-UHFFFAOYSA-N 1 2 337.427 2.482 20 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C=CCC[N@H+]1CCn2ncc(CNC(=O)CCCCCOCC)c2C1 ZINC001128598321 1194456223 /nfs/dbraw/zinc/45/62/23/1194456223.db2.gz CVLPMFWFUWUHBD-UHFFFAOYSA-N 1 2 348.491 2.488 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)OCCC(C)C)c2C1 ZINC001128602791 1194470539 /nfs/dbraw/zinc/47/05/39/1194470539.db2.gz XMYXNTRRPDGLJS-MRXNPFEDSA-N 1 2 348.491 2.342 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)OCCC(C)C)c2C1 ZINC001128602791 1194470541 /nfs/dbraw/zinc/47/05/41/1194470541.db2.gz XMYXNTRRPDGLJS-MRXNPFEDSA-N 1 2 348.491 2.342 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@@H+]([C@H](C)c3ncc(C)o3)C2)c1 ZINC001033405208 1194548147 /nfs/dbraw/zinc/54/81/47/1194548147.db2.gz IOQXKSCTFJAJOK-RHSMWYFYSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@H+]([C@H](C)c3ncc(C)o3)C2)c1 ZINC001033405208 1194548152 /nfs/dbraw/zinc/54/81/52/1194548152.db2.gz IOQXKSCTFJAJOK-RHSMWYFYSA-N 1 2 338.411 2.267 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001033580932 1194907281 /nfs/dbraw/zinc/90/72/81/1194907281.db2.gz VYIMHWINTZCWRM-MRXNPFEDSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC001033580932 1194907285 /nfs/dbraw/zinc/90/72/85/1194907285.db2.gz VYIMHWINTZCWRM-MRXNPFEDSA-N 1 2 345.834 2.166 20 30 EEEDLO CCc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)no1 ZINC001033595025 1194925772 /nfs/dbraw/zinc/92/57/72/1194925772.db2.gz ZEGOKBOLYPRWLJ-INIZCTEOSA-N 1 2 338.411 2.455 20 30 EEEDLO CCc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)no1 ZINC001033595025 1194925773 /nfs/dbraw/zinc/92/57/73/1194925773.db2.gz ZEGOKBOLYPRWLJ-INIZCTEOSA-N 1 2 338.411 2.455 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2COc3ccccc3O2)C1 ZINC001033637610 1194985768 /nfs/dbraw/zinc/98/57/68/1194985768.db2.gz NMFITEZPBLBWBZ-CZUORRHYSA-N 1 2 336.819 2.112 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2COc3ccccc3O2)C1 ZINC001033637610 1194985770 /nfs/dbraw/zinc/98/57/70/1194985770.db2.gz NMFITEZPBLBWBZ-CZUORRHYSA-N 1 2 336.819 2.112 20 30 EEEDLO CN(C(=O)Cc1ccc[nH]1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033674590 1195052972 /nfs/dbraw/zinc/05/29/72/1195052972.db2.gz ASMJOJJPEWVMNW-SFHVURJKSA-N 1 2 340.402 2.301 20 30 EEEDLO CN(C(=O)Cc1ccc[nH]1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033674590 1195052975 /nfs/dbraw/zinc/05/29/75/1195052975.db2.gz ASMJOJJPEWVMNW-SFHVURJKSA-N 1 2 340.402 2.301 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033807857 1195291627 /nfs/dbraw/zinc/29/16/27/1195291627.db2.gz ZQLIMOMGYWCTMD-KRWDZBQOSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033807857 1195291630 /nfs/dbraw/zinc/29/16/30/1195291630.db2.gz ZQLIMOMGYWCTMD-KRWDZBQOSA-N 1 2 341.390 2.157 20 30 EEEDLO C#Cc1ccc(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3ccn(C)n3)C2)cc1 ZINC001033914468 1195473127 /nfs/dbraw/zinc/47/31/27/1195473127.db2.gz DHJBLMMQLRJXDW-LJQANCHMSA-N 1 2 336.439 2.138 20 30 EEEDLO C#Cc1ccc(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ccn(C)n3)C2)cc1 ZINC001033914468 1195473130 /nfs/dbraw/zinc/47/31/30/1195473130.db2.gz DHJBLMMQLRJXDW-LJQANCHMSA-N 1 2 336.439 2.138 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnn3cccnc23)C1 ZINC001033922150 1195504135 /nfs/dbraw/zinc/50/41/35/1195504135.db2.gz HDFUTXMZQTVXLD-ZDUSSCGKSA-N 1 2 333.823 2.018 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn3cccnc23)C1 ZINC001033922150 1195504138 /nfs/dbraw/zinc/50/41/38/1195504138.db2.gz HDFUTXMZQTVXLD-ZDUSSCGKSA-N 1 2 333.823 2.018 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc3ncccn3n2)C1 ZINC001034003213 1195645633 /nfs/dbraw/zinc/64/56/33/1195645633.db2.gz ZYRVDSHQCUVOLK-ZDUSSCGKSA-N 1 2 333.823 2.018 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3ncccn3n2)C1 ZINC001034003213 1195645637 /nfs/dbraw/zinc/64/56/37/1195645637.db2.gz ZYRVDSHQCUVOLK-ZDUSSCGKSA-N 1 2 333.823 2.018 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cnc3c(cnn3C)c2)C1 ZINC001034007035 1195650789 /nfs/dbraw/zinc/65/07/89/1195650789.db2.gz VQEZYPHDFRPQBU-OAHLLOKOSA-N 1 2 347.850 2.257 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnc3c(cnn3C)c2)C1 ZINC001034007035 1195650791 /nfs/dbraw/zinc/65/07/91/1195650791.db2.gz VQEZYPHDFRPQBU-OAHLLOKOSA-N 1 2 347.850 2.257 20 30 EEEDLO C#Cc1ccc(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3ncc(C)o3)C2)cn1 ZINC001034028295 1195656488 /nfs/dbraw/zinc/65/64/88/1195656488.db2.gz YOXACYNSEYJCHW-QGZVFWFLSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ncc(C)o3)C2)cn1 ZINC001034028295 1195656492 /nfs/dbraw/zinc/65/64/92/1195656492.db2.gz YOXACYNSEYJCHW-QGZVFWFLSA-N 1 2 338.411 2.096 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001034087390 1195748001 /nfs/dbraw/zinc/74/80/01/1195748001.db2.gz JDPHDAJNHXJFAK-ZWKOTPCHSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001034087390 1195748004 /nfs/dbraw/zinc/74/80/04/1195748004.db2.gz JDPHDAJNHXJFAK-ZWKOTPCHSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001034087389 1195748279 /nfs/dbraw/zinc/74/82/79/1195748279.db2.gz JDPHDAJNHXJFAK-ROUUACIJSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001034087389 1195748282 /nfs/dbraw/zinc/74/82/82/1195748282.db2.gz JDPHDAJNHXJFAK-ROUUACIJSA-N 1 2 345.418 2.347 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+]2CCCC[C@H](NC(=O)C(C)C)C2)c1 ZINC001034115182 1195796732 /nfs/dbraw/zinc/79/67/32/1195796732.db2.gz SCOBRDVZHNKXDS-SFHVURJKSA-N 1 2 341.455 2.233 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CCCC[C@H](NC(=O)C(C)C)C2)c1 ZINC001034115182 1195796736 /nfs/dbraw/zinc/79/67/36/1195796736.db2.gz SCOBRDVZHNKXDS-SFHVURJKSA-N 1 2 341.455 2.233 20 30 EEEDLO Cc1cc(N[C@H]2CCN(C(=O)CSCC#N)[C@H]2C)nc(C2CC2)[nH+]1 ZINC001090203188 1196048594 /nfs/dbraw/zinc/04/85/94/1196048594.db2.gz QSXPOBUBQQLLOJ-JSGCOSHPSA-N 1 2 345.472 2.321 20 30 EEEDLO CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2[nH]nc3c2C[C@@H](C)CC3)C1 ZINC001034467010 1196246808 /nfs/dbraw/zinc/24/68/08/1196246808.db2.gz GFDFPWCKHZANER-LSDHHAIUSA-N 1 2 328.460 2.142 20 30 EEEDLO CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2[nH]nc3c2C[C@@H](C)CC3)C1 ZINC001034467010 1196246811 /nfs/dbraw/zinc/24/68/11/1196246811.db2.gz GFDFPWCKHZANER-LSDHHAIUSA-N 1 2 328.460 2.142 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(O[C@@H](C)CC)c1 ZINC001018160200 1224408782 /nfs/dbraw/zinc/40/87/82/1224408782.db2.gz XKWHJMPPPULWLW-BHYGNILZSA-N 1 2 327.428 2.181 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(O[C@@H](C)CC)c1 ZINC001018160200 1224408789 /nfs/dbraw/zinc/40/87/89/1224408789.db2.gz XKWHJMPPPULWLW-BHYGNILZSA-N 1 2 327.428 2.181 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)c1ccccc1OC ZINC001018186990 1224441355 /nfs/dbraw/zinc/44/13/55/1224441355.db2.gz JHHPJZGYCVYROO-YESZJQIVSA-N 1 2 326.440 2.497 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)c1ccccc1OC 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C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001132064215 1199275979 /nfs/dbraw/zinc/27/59/79/1199275979.db2.gz GMPRIODLKIMULE-GJZGRUSLSA-N 1 2 332.448 2.311 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001132228997 1199471148 /nfs/dbraw/zinc/47/11/48/1199471148.db2.gz ZACVYGOAZYWPLY-UONOGXRCSA-N 1 2 348.443 2.330 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001132228997 1199471151 /nfs/dbraw/zinc/47/11/51/1199471151.db2.gz ZACVYGOAZYWPLY-UONOGXRCSA-N 1 2 348.443 2.330 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCC(C)C)C1 ZINC001132331186 1199578555 /nfs/dbraw/zinc/57/85/55/1199578555.db2.gz MFZDIRGCMLSKBL-JKSUJKDBSA-N 1 2 337.508 2.330 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCC(C)C)C1 ZINC001132331186 1199578558 /nfs/dbraw/zinc/57/85/58/1199578558.db2.gz MFZDIRGCMLSKBL-JKSUJKDBSA-N 1 2 337.508 2.330 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCCCC)C1 ZINC001132332018 1199579780 /nfs/dbraw/zinc/57/97/80/1199579780.db2.gz QYLYYQBGNKCWDE-HZPDHXFCSA-N 1 2 337.508 2.474 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCCCC)C1 ZINC001132332018 1199579783 /nfs/dbraw/zinc/57/97/83/1199579783.db2.gz QYLYYQBGNKCWDE-HZPDHXFCSA-N 1 2 337.508 2.474 20 30 EEEDLO CCOC(=O)[C@@H]1CC[C@H]([N@H+](C)CCC#N)CN1C(=O)OC(C)(C)C ZINC001170632359 1199981335 /nfs/dbraw/zinc/98/13/35/1199981335.db2.gz ZYEVQTQEYIKCSG-KBPBESRZSA-N 1 2 339.436 2.163 20 30 EEEDLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+](C)CCC#N)CN1C(=O)OC(C)(C)C ZINC001170632359 1199981338 /nfs/dbraw/zinc/98/13/38/1199981338.db2.gz ZYEVQTQEYIKCSG-KBPBESRZSA-N 1 2 339.436 2.163 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H](O)CC3(O)CCCCC3)CCO2)c1 ZINC000878322527 1200395013 /nfs/dbraw/zinc/39/50/13/1200395013.db2.gz LDOQLVOEYUBYCP-RTBURBONSA-N 1 2 344.455 2.378 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H](O)CC3(O)CCCCC3)CCO2)c1 ZINC000878322527 1200395023 /nfs/dbraw/zinc/39/50/23/1200395023.db2.gz LDOQLVOEYUBYCP-RTBURBONSA-N 1 2 344.455 2.378 20 30 EEEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC000878502372 1200508080 /nfs/dbraw/zinc/50/80/80/1200508080.db2.gz BRZQEGAJWJQXSN-GFCCVEGCSA-N 1 2 340.445 2.305 20 30 EEEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC000878502372 1200508090 /nfs/dbraw/zinc/50/80/90/1200508090.db2.gz BRZQEGAJWJQXSN-GFCCVEGCSA-N 1 2 340.445 2.305 20 30 EEEDLO C=C1CCC(C(=O)NCC[NH2+]Cc2nc([C@H](C)OCC)no2)CC1 ZINC001133365350 1200798611 /nfs/dbraw/zinc/79/86/11/1200798611.db2.gz NLFWSFNNLFXANL-ZDUSSCGKSA-N 1 2 336.436 2.119 20 30 EEEDLO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(Br)cc3C#N)C[C@@H]2C1 ZINC000880312487 1201455253 /nfs/dbraw/zinc/45/52/53/1201455253.db2.gz OQIALPKBWZVWDU-GASCZTMLSA-N 1 2 348.244 2.231 20 30 EEEDLO CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(Br)cc3C#N)C[C@@H]2C1 ZINC000880312487 1201455258 /nfs/dbraw/zinc/45/52/58/1201455258.db2.gz OQIALPKBWZVWDU-GASCZTMLSA-N 1 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1204386926 /nfs/dbraw/zinc/38/69/26/1204386926.db2.gz KFOHMYXAXVFROS-UHFFFAOYSA-N 1 2 326.322 2.129 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095411516 1204929949 /nfs/dbraw/zinc/92/99/49/1204929949.db2.gz XTSNULMRYKEKNU-IBGZPJMESA-N 1 2 344.459 2.075 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(OC)cncc1OC ZINC001274586515 1205088226 /nfs/dbraw/zinc/08/82/26/1205088226.db2.gz NVLMHFWVHWFWFW-IBGZPJMESA-N 1 2 345.443 2.242 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(OC)cncc1OC ZINC001274586515 1205088229 /nfs/dbraw/zinc/08/82/29/1205088229.db2.gz NVLMHFWVHWFWFW-IBGZPJMESA-N 1 2 345.443 2.242 20 30 EEEDLO Cn1ccc(C[N@@H+]2CCC[C@@]23CCN(Cc2cccc(C#N)c2)C3=O)n1 ZINC001275362082 1205320058 /nfs/dbraw/zinc/32/00/58/1205320058.db2.gz DFBVFUXEXVWFBX-FQEVSTJZSA-N 1 2 349.438 2.059 20 30 EEEDLO Cn1ccc(C[N@H+]2CCC[C@@]23CCN(Cc2cccc(C#N)c2)C3=O)n1 ZINC001275362082 1205320059 /nfs/dbraw/zinc/32/00/59/1205320059.db2.gz DFBVFUXEXVWFBX-FQEVSTJZSA-N 1 2 349.438 2.059 20 30 EEEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC3(CN(Cc4cn[nH]c4)C3)C2)c1 ZINC001275547587 1205405344 /nfs/dbraw/zinc/40/53/44/1205405344.db2.gz LQHKHEIPOQQXRH-UHFFFAOYSA-N 1 2 337.427 2.085 20 30 EEEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC3(CN(Cc4cn[nH]c4)C3)C2)c1 ZINC001275547587 1205405345 /nfs/dbraw/zinc/40/53/45/1205405345.db2.gz LQHKHEIPOQQXRH-UHFFFAOYSA-N 1 2 337.427 2.085 20 30 EEEDLO CC(C)NC(=O)N1CC2(C1)CCC[N@H+](Cc1cc(C#N)ccc1O)C2 ZINC001275550696 1205406711 /nfs/dbraw/zinc/40/67/11/1205406711.db2.gz OJCXNINQPTZOSO-UHFFFAOYSA-N 1 2 342.443 2.280 20 30 EEEDLO CC(C)NC(=O)N1CC2(C1)CCC[N@@H+](Cc1cc(C#N)ccc1O)C2 ZINC001275550696 1205406712 /nfs/dbraw/zinc/40/67/12/1205406712.db2.gz OJCXNINQPTZOSO-UHFFFAOYSA-N 1 2 342.443 2.280 20 30 EEEDLO Cc1cc(N2CCC(NC(=O)C#CC(C)C)CC2)nc(C2CC2)[nH+]1 ZINC001095414195 1205484125 /nfs/dbraw/zinc/48/41/25/1205484125.db2.gz YFXTVGTXNNUMRL-UHFFFAOYSA-N 1 2 326.444 2.407 20 30 EEEDLO N#Cc1cccc(CN2C[C@@]3(CC2=O)CCCC[N@@H+]3Cc2c[nH]cn2)c1 ZINC001275730187 1205502021 /nfs/dbraw/zinc/50/20/21/1205502021.db2.gz KNOZUDQKQHAUPA-FQEVSTJZSA-N 1 2 349.438 2.439 20 30 EEEDLO N#Cc1cccc(CN2C[C@@]3(CC2=O)CCCC[N@H+]3Cc2c[nH]cn2)c1 ZINC001275730187 1205502022 /nfs/dbraw/zinc/50/20/22/1205502022.db2.gz KNOZUDQKQHAUPA-FQEVSTJZSA-N 1 2 349.438 2.439 20 30 EEEDLO N#Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)c1O ZINC001275734594 1205503909 /nfs/dbraw/zinc/50/39/09/1205503909.db2.gz KPKZCETXOLPDKD-IYBDPMFKSA-N 1 2 325.412 2.495 20 30 EEEDLO N#Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)c1O ZINC001275734594 1205503911 /nfs/dbraw/zinc/50/39/11/1205503911.db2.gz KPKZCETXOLPDKD-IYBDPMFKSA-N 1 2 325.412 2.495 20 30 EEEDLO CC(C)NC(=O)N1CCC2(C[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001276242592 1205851015 /nfs/dbraw/zinc/85/10/15/1205851015.db2.gz OTUJXAWYAQGODW-UHFFFAOYSA-N 1 2 330.407 2.323 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3cc(C)nc3C1)C2 ZINC001095618017 1205893224 /nfs/dbraw/zinc/89/32/24/1205893224.db2.gz PXQUYOIFDJLXHL-WCVJEAGWSA-N 1 2 348.878 2.228 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3cc(C)nc3C1)C2 ZINC001095618017 1205893226 /nfs/dbraw/zinc/89/32/26/1205893226.db2.gz PXQUYOIFDJLXHL-WCVJEAGWSA-N 1 2 348.878 2.228 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnnn1CC ZINC001110888852 1205956505 /nfs/dbraw/zinc/95/65/05/1205956505.db2.gz XWTDLNMTROVMOC-BMFZPTHFSA-N 1 2 331.464 2.122 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnnn1CC ZINC001110888852 1205956507 /nfs/dbraw/zinc/95/65/07/1205956507.db2.gz XWTDLNMTROVMOC-BMFZPTHFSA-N 1 2 331.464 2.122 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C)n(C)n1 ZINC001110925070 1206275295 /nfs/dbraw/zinc/27/52/95/1206275295.db2.gz HOJAKYUTJCRODS-KURKYZTESA-N 1 2 328.460 2.144 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C)n(C)n1 ZINC001110925070 1206275296 /nfs/dbraw/zinc/27/52/96/1206275296.db2.gz HOJAKYUTJCRODS-KURKYZTESA-N 1 2 328.460 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ZINC001006793248 1221946483 /nfs/dbraw/zinc/94/64/83/1221946483.db2.gz MBZUWWUBRYMZRP-CQSZACIVSA-N 1 2 344.459 2.052 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)Cc3ccon3)C2)cc1F ZINC001006956533 1222034252 /nfs/dbraw/zinc/03/42/52/1222034252.db2.gz BRSLYSRUOKXYTH-INIZCTEOSA-N 1 2 342.374 2.009 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)Cc3ccon3)C2)cc1F ZINC001006956533 1222034257 /nfs/dbraw/zinc/03/42/57/1222034257.db2.gz BRSLYSRUOKXYTH-INIZCTEOSA-N 1 2 342.374 2.009 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCCCO3)C2)c(F)c1 ZINC001007120059 1222101484 /nfs/dbraw/zinc/10/14/84/1222101484.db2.gz JQQZFGJBIBDVQK-WMZOPIPTSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CCCCO3)C2)c(F)c1 ZINC001007120059 1222101487 /nfs/dbraw/zinc/10/14/87/1222101487.db2.gz JQQZFGJBIBDVQK-WMZOPIPTSA-N 1 2 345.418 2.347 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC001016114927 1226098062 /nfs/dbraw/zinc/09/80/62/1226098062.db2.gz UUZOJLONOYVCHQ-INIZCTEOSA-N 1 2 325.437 2.058 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001016114927 1226098065 /nfs/dbraw/zinc/09/80/65/1226098065.db2.gz UUZOJLONOYVCHQ-INIZCTEOSA-N 1 2 325.437 2.058 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)cnn1 ZINC001007203443 1222128085 /nfs/dbraw/zinc/12/80/85/1222128085.db2.gz ABUOFHSVOGQNFO-SFHVURJKSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)cnn1 ZINC001007203443 1222128090 /nfs/dbraw/zinc/12/80/90/1222128090.db2.gz ABUOFHSVOGQNFO-SFHVURJKSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001007276223 1222152880 /nfs/dbraw/zinc/15/28/80/1222152880.db2.gz MQLSEUANRSSWLO-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001007276223 1222152881 /nfs/dbraw/zinc/15/28/81/1222152881.db2.gz MQLSEUANRSSWLO-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)c(C)nn1 ZINC001007413530 1222214518 /nfs/dbraw/zinc/21/45/18/1222214518.db2.gz UQYUQCRVCHSIEB-IBGZPJMESA-N 1 2 348.450 2.339 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)c(C)nn1 ZINC001007413530 1222214521 /nfs/dbraw/zinc/21/45/21/1222214521.db2.gz UQYUQCRVCHSIEB-IBGZPJMESA-N 1 2 348.450 2.339 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2cc3n(n2)CCC3)C1 ZINC001007467005 1222243949 /nfs/dbraw/zinc/24/39/49/1222243949.db2.gz TWSBQXIYPSAUGM-QGZVFWFLSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2cc3n(n2)CCC3)C1 ZINC001007467005 1222243952 /nfs/dbraw/zinc/24/39/52/1222243952.db2.gz TWSBQXIYPSAUGM-QGZVFWFLSA-N 1 2 349.438 2.095 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)n1C ZINC001008312251 1222753701 /nfs/dbraw/zinc/75/37/01/1222753701.db2.gz XKVVMIVAGNKVFT-ZDUSSCGKSA-N 1 2 343.456 2.056 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)n1C ZINC001008312251 1222753704 /nfs/dbraw/zinc/75/37/04/1222753704.db2.gz XKVVMIVAGNKVFT-ZDUSSCGKSA-N 1 2 343.456 2.056 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)O1 ZINC001008594143 1222950315 /nfs/dbraw/zinc/95/03/15/1222950315.db2.gz AXJOZAQELLYSNF-NZSAHSFTSA-N 1 2 326.440 2.186 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)O1 ZINC001008594143 1222950317 /nfs/dbraw/zinc/95/03/17/1222950317.db2.gz AXJOZAQELLYSNF-NZSAHSFTSA-N 1 2 326.440 2.186 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001008813185 1223048675 /nfs/dbraw/zinc/04/86/75/1223048675.db2.gz FMSBJWHXLGJBAA-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001008813185 1223048678 /nfs/dbraw/zinc/04/86/78/1223048678.db2.gz FMSBJWHXLGJBAA-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnn3cccc(OC)c23)C1 ZINC001008899930 1223073453 /nfs/dbraw/zinc/07/34/53/1223073453.db2.gz LQDLEFOGTVJLLC-ZDUSSCGKSA-N 1 2 348.834 2.290 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnn3cccc(OC)c23)C1 ZINC001008899930 1223073455 /nfs/dbraw/zinc/07/34/55/1223073455.db2.gz LQDLEFOGTVJLLC-ZDUSSCGKSA-N 1 2 348.834 2.290 20 30 EEEDLO C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)CCOC1 ZINC001008999434 1223108240 /nfs/dbraw/zinc/10/82/40/1223108240.db2.gz BKCGFKDYFOAHOJ-VQIMIIECSA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)CCOC1 ZINC001008999434 1223108242 /nfs/dbraw/zinc/10/82/42/1223108242.db2.gz BKCGFKDYFOAHOJ-VQIMIIECSA-N 1 2 345.418 2.205 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)no1 ZINC001010029806 1223513341 /nfs/dbraw/zinc/51/33/41/1223513341.db2.gz KVPGUKUAEBOHAP-MRXNPFEDSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)no1 ZINC001010029806 1223513346 /nfs/dbraw/zinc/51/33/46/1223513346.db2.gz KVPGUKUAEBOHAP-MRXNPFEDSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001014366997 1226532895 /nfs/dbraw/zinc/53/28/95/1226532895.db2.gz DAEAJFDFOLLJBK-INIZCTEOSA-N 1 2 342.830 2.227 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001014366997 1226532904 /nfs/dbraw/zinc/53/29/04/1226532904.db2.gz DAEAJFDFOLLJBK-INIZCTEOSA-N 1 2 342.830 2.227 20 30 EEEDLO CC(C)n1nccc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001014550414 1226758563 /nfs/dbraw/zinc/75/85/63/1226758563.db2.gz CTWBUXGGTCPSTD-SFHVURJKSA-N 1 2 336.439 2.320 20 30 EEEDLO CC(C)n1nccc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001014550414 1226758567 /nfs/dbraw/zinc/75/85/67/1226758567.db2.gz CTWBUXGGTCPSTD-SFHVURJKSA-N 1 2 336.439 2.320 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ncnn2C)C1 ZINC001017201296 1227222916 /nfs/dbraw/zinc/22/29/16/1227222916.db2.gz GXFVRQFLDPXOKC-MAUKXSAKSA-N 1 2 333.480 2.088 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ncnn2C)C1 ZINC001017201296 1227222919 /nfs/dbraw/zinc/22/29/19/1227222919.db2.gz GXFVRQFLDPXOKC-MAUKXSAKSA-N 1 2 333.480 2.088 20 30 EEEDLO Cc1cc(N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)nc(C(C)C)[nH+]1 ZINC001058330007 1248874013 /nfs/dbraw/zinc/87/40/13/1248874013.db2.gz IJBYNMOINAOYAA-AWEZNQCLSA-N 1 2 338.415 2.117 20 30 EEEDLO C#CCCCCC(=O)N(C)CCCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001067238562 1228337933 /nfs/dbraw/zinc/33/79/33/1228337933.db2.gz XCWKEJSCZYBJQF-UHFFFAOYSA-N 1 2 346.475 2.164 20 30 EEEDLO CCCc1nc(C)c(C[N@@H+]2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)o1 ZINC001038175761 1229677214 /nfs/dbraw/zinc/67/72/14/1229677214.db2.gz TUJGKHIYKMDPCA-HNNXBMFYSA-N 1 2 341.415 2.140 20 30 EEEDLO CCCc1nc(C)c(C[N@H+]2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)o1 ZINC001038175761 1229677216 /nfs/dbraw/zinc/67/72/16/1229677216.db2.gz TUJGKHIYKMDPCA-HNNXBMFYSA-N 1 2 341.415 2.140 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(F)c[nH]2)cc1C#N ZINC001038529007 1229898848 /nfs/dbraw/zinc/89/88/48/1229898848.db2.gz VSIXOBDITRPGJU-HNNXBMFYSA-N 1 2 342.374 2.038 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(F)c[nH]2)cc1C#N ZINC001038529007 1229898857 /nfs/dbraw/zinc/89/88/57/1229898857.db2.gz VSIXOBDITRPGJU-HNNXBMFYSA-N 1 2 342.374 2.038 20 30 EEEDLO N#CCN1CC[C@H](C2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001039137877 1230351015 /nfs/dbraw/zinc/35/10/15/1230351015.db2.gz SZVGYCBBPHENDM-HNNXBMFYSA-N 1 2 337.427 2.261 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1ncccn1 ZINC001039457191 1230623705 /nfs/dbraw/zinc/62/37/05/1230623705.db2.gz GVPCJYRESCTVMX-CABCVRRESA-N 1 2 334.851 2.227 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1ncccn1 ZINC001039457191 1230623709 /nfs/dbraw/zinc/62/37/09/1230623709.db2.gz GVPCJYRESCTVMX-CABCVRRESA-N 1 2 334.851 2.227 20 30 EEEDLO Cc1nc(NC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)cc[nH+]1 ZINC001040394914 1231205886 /nfs/dbraw/zinc/20/58/86/1231205886.db2.gz PBVVHQXXDXHGFI-OCCSQVGLSA-N 1 2 338.415 2.195 20 30 EEEDLO C=C(Cl)CN1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040526650 1231276955 /nfs/dbraw/zinc/27/69/55/1231276955.db2.gz BXSBJZKEKVRGNH-QGZVFWFLSA-N 1 2 336.867 2.259 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3ccnc3C)C2)C1 ZINC001040526650 1231276958 /nfs/dbraw/zinc/27/69/58/1231276958.db2.gz BXSBJZKEKVRGNH-QGZVFWFLSA-N 1 2 336.867 2.259 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3ccnc3C)C2)C1 ZINC001040526650 1231276959 /nfs/dbraw/zinc/27/69/59/1231276959.db2.gz BXSBJZKEKVRGNH-QGZVFWFLSA-N 1 2 336.867 2.259 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(c3cc[nH+]c(C)n3)CC2(C)C)cn1 ZINC001067329207 1231391437 /nfs/dbraw/zinc/39/14/37/1231391437.db2.gz WOQQAVKKTLAYQO-QGZVFWFLSA-N 1 2 349.438 2.196 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(F)F)C[C@@H]21 ZINC001041890352 1231749783 /nfs/dbraw/zinc/74/97/83/1231749783.db2.gz CUFSRKPBIOKROU-QWRGUYRKSA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(F)F)C[C@@H]21 ZINC001041890352 1231749784 /nfs/dbraw/zinc/74/97/84/1231749784.db2.gz CUFSRKPBIOKROU-QWRGUYRKSA-N 1 2 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330.428 2.092 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn2ccc(C)cc2n1 ZINC001051008385 1244839134 /nfs/dbraw/zinc/83/91/34/1244839134.db2.gz WBFVXDIRYGREGT-INIZCTEOSA-N 1 2 342.443 2.040 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn2ccc(C)cc2n1 ZINC001051008385 1244839141 /nfs/dbraw/zinc/83/91/41/1244839141.db2.gz WBFVXDIRYGREGT-INIZCTEOSA-N 1 2 342.443 2.040 20 30 EEEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(CC)c2ccccc12 ZINC001051017584 1244855905 /nfs/dbraw/zinc/85/59/05/1244855905.db2.gz SMBPIOIMZHYMBC-INIZCTEOSA-N 1 2 339.439 2.115 20 30 EEEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(CC)c2ccccc12 ZINC001051017584 1244855911 /nfs/dbraw/zinc/85/59/11/1244855911.db2.gz SMBPIOIMZHYMBC-INIZCTEOSA-N 1 2 339.439 2.115 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(F)c2ncccc2c1 ZINC001051168898 1245080547 /nfs/dbraw/zinc/08/05/47/1245080547.db2.gz PMEIEQRCNRZLCK-MRXNPFEDSA-N 1 2 343.402 2.381 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(F)c2ncccc2c1 ZINC001051168898 1245080565 /nfs/dbraw/zinc/08/05/65/1245080565.db2.gz PMEIEQRCNRZLCK-MRXNPFEDSA-N 1 2 343.402 2.381 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(OC)c1F ZINC001051176876 1245090500 /nfs/dbraw/zinc/09/05/00/1245090500.db2.gz BOFDRNZCVHSOGB-AWEZNQCLSA-N 1 2 336.407 2.231 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(OC)c1F ZINC001051176876 1245090509 /nfs/dbraw/zinc/09/05/09/1245090509.db2.gz BOFDRNZCVHSOGB-AWEZNQCLSA-N 1 2 336.407 2.231 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(C(F)(F)F)n1 ZINC001051178518 1245092310 /nfs/dbraw/zinc/09/23/10/1245092310.db2.gz XSCQMVUSVCERDX-GFCCVEGCSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(C(F)(F)F)n1 ZINC001051178518 1245092314 /nfs/dbraw/zinc/09/23/14/1245092314.db2.gz XSCQMVUSVCERDX-GFCCVEGCSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001051248417 1245437418 /nfs/dbraw/zinc/43/74/18/1245437418.db2.gz BJYXMVPSCRDRAV-KGLIPLIRSA-N 1 2 346.475 2.253 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1csc(C2CC2)n1 ZINC001051263871 1245452755 /nfs/dbraw/zinc/45/27/55/1245452755.db2.gz AUWFKENQJQRASO-CQSZACIVSA-N 1 2 335.473 2.417 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1csc(C2CC2)n1 ZINC001051263871 1245452757 /nfs/dbraw/zinc/45/27/57/1245452757.db2.gz AUWFKENQJQRASO-CQSZACIVSA-N 1 2 335.473 2.417 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@@]2(C)C1 ZINC001101218481 1245531824 /nfs/dbraw/zinc/53/18/24/1245531824.db2.gz FEEPEZCDCLQJNP-SLYTXXNASA-N 1 2 347.286 2.413 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@@]2(C)C1 ZINC001101218481 1245531830 /nfs/dbraw/zinc/53/18/30/1245531830.db2.gz FEEPEZCDCLQJNP-SLYTXXNASA-N 1 2 347.286 2.413 20 30 EEEDLO Cc1nnc([C@H](C)[N@@H+]2C[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@]3(C)C2)[nH]1 ZINC001101232449 1245549314 /nfs/dbraw/zinc/54/93/14/1245549314.db2.gz VICMHPXLQVXCKB-OHNRDTAOSA-N 1 2 343.475 2.004 20 30 EEEDLO Cc1nnc([C@H](C)[N@H+]2C[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@]3(C)C2)[nH]1 ZINC001101232449 1245549318 /nfs/dbraw/zinc/54/93/18/1245549318.db2.gz VICMHPXLQVXCKB-OHNRDTAOSA-N 1 2 343.475 2.004 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001051460425 1245749123 /nfs/dbraw/zinc/74/91/23/1245749123.db2.gz SLKPONNAONKZSL-GJZGRUSLSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001051460425 1245749127 /nfs/dbraw/zinc/74/91/27/1245749127.db2.gz SLKPONNAONKZSL-GJZGRUSLSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCC1(C(=O)N2CC[C@@H]([C@@H](C)NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001051521317 1245820619 /nfs/dbraw/zinc/82/06/19/1245820619.db2.gz JMGWINDFTOMQGC-HUUCEWRRSA-N 1 2 344.459 2.052 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@@H]1[C@@H]1CCC[N@H+](Cc2cnon2)C1 ZINC001053086773 1245862708 /nfs/dbraw/zinc/86/27/08/1245862708.db2.gz OHJKDZIRXSMHQH-SJLPKXTDSA-N 1 2 342.443 2.076 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC001053086773 1245862716 /nfs/dbraw/zinc/86/27/16/1245862716.db2.gz OHJKDZIRXSMHQH-SJLPKXTDSA-N 1 2 342.443 2.076 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H](C)[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001051673436 1246010658 /nfs/dbraw/zinc/01/06/58/1246010658.db2.gz ZTYYGEXAEJVPHW-LSDHHAIUSA-N 1 2 344.459 2.052 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)/C=C/C(C)(C)C)c1nccn12 ZINC001101616979 1246041874 /nfs/dbraw/zinc/04/18/74/1246041874.db2.gz IQTZZXVIPZMCAS-MVGZEHJDSA-N 1 2 326.444 2.081 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1nsc3ccccc31)CCO2 ZINC001053265910 1246113617 /nfs/dbraw/zinc/11/36/17/1246113617.db2.gz MWPVOHGCSWSUME-UHFFFAOYSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)Oc1cccc(F)c1)CCO2 ZINC001053265948 1246113898 /nfs/dbraw/zinc/11/38/98/1246113898.db2.gz NWSLGNWNSCYRSQ-OAHLLOKOSA-N 1 2 348.418 2.082 20 30 EEEDLO Cc1nc(NCC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)cc[nH+]1 ZINC001053327254 1246185820 /nfs/dbraw/zinc/18/58/20/1246185820.db2.gz ZFBDNXSNNCSQCL-TZMCWYRMSA-N 1 2 338.415 2.195 20 30 EEEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cc(C(C)(C)C)on1)CCO2 ZINC001053336620 1246204178 /nfs/dbraw/zinc/20/41/78/1246204178.db2.gz DRXIJBBLVMTFDO-UHFFFAOYSA-N 1 2 347.459 2.465 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(OCC)c(C)c1)CCO2 ZINC001053452782 1246345399 /nfs/dbraw/zinc/34/53/99/1246345399.db2.gz FQFDGTLKSCYCPX-UHFFFAOYSA-N 1 2 344.455 2.497 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)CC1 ZINC001052096826 1246476617 /nfs/dbraw/zinc/47/66/17/1246476617.db2.gz PYMRUIOMXCFBBF-YESZJQIVSA-N 1 2 337.895 2.004 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(C)c3Cl)C2)CC1 ZINC001052097982 1246477506 /nfs/dbraw/zinc/47/75/06/1246477506.db2.gz BBFQGWZBODTZOG-INIZCTEOSA-N 1 2 345.874 2.114 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C)c(OC)c(C)c1)O2 ZINC001053602804 1246517148 /nfs/dbraw/zinc/51/71/48/1246517148.db2.gz MKXZIFLJVYNAIP-QGZVFWFLSA-N 1 2 344.455 2.461 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(OC)c(F)c1)O2 ZINC001053609813 1246529343 /nfs/dbraw/zinc/52/93/43/1246529343.db2.gz FPSIUVJQXVOXKM-OAHLLOKOSA-N 1 2 348.418 2.374 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccccc1COC)O2 ZINC001053622219 1246546472 /nfs/dbraw/zinc/54/64/72/1246546472.db2.gz PSODBMUQGISTIC-KRWDZBQOSA-N 1 2 344.455 2.372 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3cnccc3o1)O2 ZINC001053624443 1246550434 /nfs/dbraw/zinc/55/04/34/1246550434.db2.gz RJFJMYBGZJVEMF-HNNXBMFYSA-N 1 2 341.411 2.367 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccncc1OC(C)C)O2 ZINC001053639016 1246572714 /nfs/dbraw/zinc/57/27/14/1246572714.db2.gz GOOWQHACXVWEGU-HNNXBMFYSA-N 1 2 345.443 2.018 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(OC)cs1)O2 ZINC001053642172 1246577032 /nfs/dbraw/zinc/57/70/32/1246577032.db2.gz YVRUTVOQDMZQTM-ZDUSSCGKSA-N 1 2 336.457 2.296 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1sc(Cl)nc1C)CO2 ZINC001053815322 1246829063 /nfs/dbraw/zinc/82/90/63/1246829063.db2.gz KTRMUAZQYPTNAC-NSHDSACASA-N 1 2 341.864 2.254 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1c(C)cccc1C)CO2 ZINC001053818676 1246837612 /nfs/dbraw/zinc/83/76/12/1246837612.db2.gz RXRPXSIFKWAIET-QGZVFWFLSA-N 1 2 328.456 2.382 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn(C(C)(C)C)c1C)CO2 ZINC001053822970 1246845648 /nfs/dbraw/zinc/84/56/48/1246845648.db2.gz ZWLFHIWJTVBRHU-HNNXBMFYSA-N 1 2 346.475 2.096 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3c(c1)[C@@H](C)CO3)CO2 ZINC001053900725 1246986665 /nfs/dbraw/zinc/98/66/65/1246986665.db2.gz SRXYBKGVPRBUHV-HOCLYGCPSA-N 1 2 342.439 2.332 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc(C(C)C)nc1C)CO2 ZINC001053948887 1247055239 /nfs/dbraw/zinc/05/52/39/1247055239.db2.gz TXGNZFDLGFZLHS-HNNXBMFYSA-N 1 2 344.459 2.058 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1cccc3ccccc31)CO2 ZINC001053988825 1247115348 /nfs/dbraw/zinc/11/53/48/1247115348.db2.gz RVECKXYTDXVYOO-IBGZPJMESA-N 1 2 348.446 2.365 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C(C)C)cc1)CO2 ZINC001053992287 1247120730 /nfs/dbraw/zinc/12/07/30/1247120730.db2.gz MPKGFVKFZRNTGF-SFHVURJKSA-N 1 2 326.440 2.406 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1(C3CCCCC3)CC1)CO2 ZINC001053994125 1247123343 /nfs/dbraw/zinc/12/33/43/1247123343.db2.gz AJMAAXSXRDIIHM-KRWDZBQOSA-N 1 2 330.472 2.330 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1sc(C)cc1C)CO2 ZINC001053995186 1247125590 /nfs/dbraw/zinc/12/55/90/1247125590.db2.gz UNJDERDQFSLITI-OAHLLOKOSA-N 1 2 334.485 2.443 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3c(s1)CCC3)CO2 ZINC001054000736 1247132486 /nfs/dbraw/zinc/13/24/86/1247132486.db2.gz IMYXTLNUSXNICU-CQSZACIVSA-N 1 2 332.469 2.386 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1(c3ccccc3)CC1)CO2 ZINC001054001339 1247132797 /nfs/dbraw/zinc/13/27/97/1247132797.db2.gz VWLAMWYLDKFSMS-QGZVFWFLSA-N 1 2 326.440 2.254 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccn(C)c1CC ZINC001054052494 1247246219 /nfs/dbraw/zinc/24/62/19/1247246219.db2.gz YLYRNBULCRTNBM-SFHVURJKSA-N 1 2 335.451 2.377 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccn(C)c1CC ZINC001054052494 1247246225 /nfs/dbraw/zinc/24/62/25/1247246225.db2.gz YLYRNBULCRTNBM-SFHVURJKSA-N 1 2 335.451 2.377 20 30 EEEDLO Cc1nsc(N[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)c1C#N ZINC001057771566 1247448911 /nfs/dbraw/zinc/44/89/11/1247448911.db2.gz IOLQCEXBBNTWNZ-CYBMUJFWSA-N 1 2 344.444 2.082 20 30 EEEDLO Cc1nsc(N[C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)c1C#N ZINC001057771566 1247448915 /nfs/dbraw/zinc/44/89/15/1247448915.db2.gz IOLQCEXBBNTWNZ-CYBMUJFWSA-N 1 2 344.444 2.082 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3nnc(C)[nH]3)C2)C1 ZINC001054175780 1247615680 /nfs/dbraw/zinc/61/56/80/1247615680.db2.gz VOZCMKPDYBPBCL-GOSISDBHSA-N 1 2 331.464 2.140 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@]2(CC[N@H+](Cc3nnc(C)[nH]3)C2)C1 ZINC001054175780 1247615687 /nfs/dbraw/zinc/61/56/87/1247615687.db2.gz VOZCMKPDYBPBCL-GOSISDBHSA-N 1 2 331.464 2.140 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@]3(CC[N@H+](Cc4cnon4)C3)C2)C1 ZINC001054193728 1247675559 /nfs/dbraw/zinc/67/55/59/1247675559.db2.gz DLVJKUWPSGVOMD-SFHVURJKSA-N 1 2 330.432 2.240 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@]3(CC[N@@H+](Cc4cnon4)C3)C2)C1 ZINC001054193728 1247675577 /nfs/dbraw/zinc/67/55/77/1247675577.db2.gz DLVJKUWPSGVOMD-SFHVURJKSA-N 1 2 330.432 2.240 20 30 EEEDLO C[C@@H](Nc1ncccc1C#N)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001058013962 1248275657 /nfs/dbraw/zinc/27/56/57/1248275657.db2.gz GKDKURGKZQGGIF-ZBFHGGJFSA-N 1 2 338.415 2.031 20 30 EEEDLO C[C@H](Nc1ncccc1C#N)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001058019015 1248293979 /nfs/dbraw/zinc/29/39/79/1248293979.db2.gz KKICXMXEIXQJKZ-DZGCQCFKSA-N 1 2 338.415 2.101 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)n1 ZINC001098006391 1250855553 /nfs/dbraw/zinc/85/55/53/1250855553.db2.gz WENNIRDCCKMYRC-KURKYZTESA-N 1 2 334.423 2.105 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)n1 ZINC001098006391 1250855560 /nfs/dbraw/zinc/85/55/60/1250855560.db2.gz WENNIRDCCKMYRC-KURKYZTESA-N 1 2 334.423 2.105 20 30 EEEDLO C=CCCCC(=O)N1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001069774409 1253257936 /nfs/dbraw/zinc/25/79/36/1253257936.db2.gz KXDRKSVENIWKIX-LJQANCHMSA-N 1 2 344.459 2.150 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccnn2CC(F)F)CC[C@H]1C ZINC001071511451 1254301076 /nfs/dbraw/zinc/30/10/76/1254301076.db2.gz MRDACTWPLNCYJP-NEPJUHHUSA-N 1 2 346.809 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccnn2CC(F)F)CC[C@H]1C ZINC001071511451 1254301081 /nfs/dbraw/zinc/30/10/81/1254301081.db2.gz MRDACTWPLNCYJP-NEPJUHHUSA-N 1 2 346.809 2.483 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2ccc(F)cn2)CC[C@@H]1C ZINC001071612141 1254427669 /nfs/dbraw/zinc/42/76/69/1254427669.db2.gz CLVIZCKMXGQRFS-SWLSCSKDSA-N 1 2 325.815 2.485 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2ccc(F)cn2)CC[C@@H]1C ZINC001071612141 1254427678 /nfs/dbraw/zinc/42/76/78/1254427678.db2.gz CLVIZCKMXGQRFS-SWLSCSKDSA-N 1 2 325.815 2.485 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)c2cnco2)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC001071718042 1254564450 /nfs/dbraw/zinc/56/44/50/1254564450.db2.gz JUEWRHPIQRRBDU-WFASDCNBSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)c2cnco2)C[N@H+]1Cc1ccc(C#N)cc1F ZINC001071718042 1254564455 /nfs/dbraw/zinc/56/44/55/1254564455.db2.gz JUEWRHPIQRRBDU-WFASDCNBSA-N 1 2 342.374 2.468 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2ncccc2F)CC[C@@H]1C ZINC001071765893 1254625483 /nfs/dbraw/zinc/62/54/83/1254625483.db2.gz MJJDPDLZUAUCGA-QWHCGFSZSA-N 1 2 325.815 2.485 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2ncccc2F)CC[C@@H]1C ZINC001071765893 1254625502 /nfs/dbraw/zinc/62/55/02/1254625502.db2.gz MJJDPDLZUAUCGA-QWHCGFSZSA-N 1 2 325.815 2.485 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001071791229 1254658944 /nfs/dbraw/zinc/65/89/44/1254658944.db2.gz QNPVYFYYFMVOJI-CZUORRHYSA-N 1 2 340.427 2.186 20 30 EEEDLO C=CCCn1cc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=C)Cl)C2)nn1 ZINC001071887543 1254752940 /nfs/dbraw/zinc/75/29/40/1254752940.db2.gz YBZOKHXQUKFYBL-KBPBESRZSA-N 1 2 337.855 2.189 20 30 EEEDLO C=CCCn1cc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=C)Cl)C2)nn1 ZINC001071887543 1254752960 /nfs/dbraw/zinc/75/29/60/1254752960.db2.gz YBZOKHXQUKFYBL-KBPBESRZSA-N 1 2 337.855 2.189 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)CN1Cc1cccc(C#N)c1 ZINC001072080945 1254919772 /nfs/dbraw/zinc/91/97/72/1254919772.db2.gz DPFBLESJESSEKP-QFBILLFUSA-N 1 2 340.471 2.123 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001072110614 1254936182 /nfs/dbraw/zinc/93/61/82/1254936182.db2.gz BCJBZEZGPWTLSK-JKSUJKDBSA-N 1 2 346.475 2.229 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(C)n1CC)C2 ZINC001072944628 1255509026 /nfs/dbraw/zinc/50/90/26/1255509026.db2.gz IBBICDRNLSCVHH-GOSISDBHSA-N 1 2 345.491 2.243 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](Cc1nnc(C)n1CC)C2 ZINC001072944628 1255509036 /nfs/dbraw/zinc/50/90/36/1255509036.db2.gz IBBICDRNLSCVHH-GOSISDBHSA-N 1 2 345.491 2.243 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC001074090288 1256692833 /nfs/dbraw/zinc/69/28/33/1256692833.db2.gz MXQKCGWNPUTZPB-ZFWWWQNUSA-N 1 2 346.475 2.216 20 30 EEEDLO C[C@H]([NH2+][C@H]1CCN(C(=O)C#CC2CC2)[C@H]1C)c1nc(C2CC2)no1 ZINC001074643100 1257094845 /nfs/dbraw/zinc/09/48/45/1257094845.db2.gz ZXHZQFSVFMIQAX-HUBLWGQQSA-N 1 2 328.416 2.000 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001075007311 1257254412 /nfs/dbraw/zinc/25/44/12/1257254412.db2.gz XETCZLFQWLMVHE-HOCLYGCPSA-N 1 2 344.459 2.216 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC001075140226 1257421946 /nfs/dbraw/zinc/42/19/46/1257421946.db2.gz WBSYLRCWMXWGSK-LSDHHAIUSA-N 1 2 332.448 2.194 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001075140226 1257421948 /nfs/dbraw/zinc/42/19/48/1257421948.db2.gz WBSYLRCWMXWGSK-LSDHHAIUSA-N 1 2 332.448 2.194 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CCCN1c1[nH+]cnc2c1cnn2C ZINC001100897823 1259408752 /nfs/dbraw/zinc/40/87/52/1259408752.db2.gz PGTGHNPBZNRCHP-CYBMUJFWSA-N 1 2 342.447 2.051 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)/C=C\C(C)(C)C)C2)nn1 ZINC001185900274 1278838403 /nfs/dbraw/zinc/83/84/03/1278838403.db2.gz UOAYHRAQBKNTPI-DOOKAGJSSA-N 1 2 343.475 2.157 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@](C)(F)CCCC)C2)nn1 ZINC001185964017 1278893807 /nfs/dbraw/zinc/89/38/07/1278893807.db2.gz TVJCPBKYRRPGAR-WMZOPIPTSA-N 1 2 349.454 2.083 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)CCC3(C)CC3)C2)nn1 ZINC001186017789 1278910985 /nfs/dbraw/zinc/91/09/85/1278910985.db2.gz BYKRSQLRFGDLDN-KRWDZBQOSA-N 1 2 343.475 2.135 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001110559266 1287241518 /nfs/dbraw/zinc/24/15/18/1287241518.db2.gz QXYFFBIDVXLSSO-MAUKXSAKSA-N 1 2 332.448 2.417 20 30 EEEDLO COCC#CC(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001187136147 1279410415 /nfs/dbraw/zinc/41/04/15/1279410415.db2.gz JTFCAVJOPJIHSI-CQSZACIVSA-N 1 2 329.227 2.362 20 30 EEEDLO C=CCOCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C(CC)CC)n2)C1 ZINC001189379609 1280273283 /nfs/dbraw/zinc/27/32/83/1280273283.db2.gz KZOJTJCETMLCHT-GOSISDBHSA-N 1 2 348.491 2.480 20 30 EEEDLO C=CCOCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C(CC)CC)n2)C1 ZINC001189379609 1280273288 /nfs/dbraw/zinc/27/32/88/1280273288.db2.gz KZOJTJCETMLCHT-GOSISDBHSA-N 1 2 348.491 2.480 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H]([N@H+](C)Cc2cc3n(n2)CCC3)C1 ZINC001189744466 1280475195 /nfs/dbraw/zinc/47/51/95/1280475195.db2.gz TVFZCICUWUOLGG-SFHVURJKSA-N 1 2 328.460 2.056 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cc3n(n2)CCC3)C1 ZINC001189744466 1280475198 /nfs/dbraw/zinc/47/51/98/1280475198.db2.gz TVFZCICUWUOLGG-SFHVURJKSA-N 1 2 328.460 2.056 20 30 EEEDLO C[N@H+](CC#Cc1ccccc1)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190260855 1280764858 /nfs/dbraw/zinc/76/48/58/1280764858.db2.gz YJKAQCWOKMUTRC-HUUCEWRRSA-N 1 2 342.336 2.471 20 30 EEEDLO C[N@@H+](CC#Cc1ccccc1)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001190260855 1280764869 /nfs/dbraw/zinc/76/48/69/1280764869.db2.gz YJKAQCWOKMUTRC-HUUCEWRRSA-N 1 2 342.336 2.471 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@H+](C)CC(=O)Nc2cc(C)no2)C1 ZINC001190388504 1280856746 /nfs/dbraw/zinc/85/67/46/1280856746.db2.gz NDBAGMFNNDBRIQ-AWEZNQCLSA-N 1 2 348.447 2.057 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(C)no2)C1 ZINC001190388504 1280856758 /nfs/dbraw/zinc/85/67/58/1280856758.db2.gz NDBAGMFNNDBRIQ-AWEZNQCLSA-N 1 2 348.447 2.057 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC(C)C)OC)C1 ZINC001192207042 1281860213 /nfs/dbraw/zinc/86/02/13/1281860213.db2.gz UHPMQAFIDXWVGH-KGLIPLIRSA-N 1 2 347.297 2.489 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC(C)C)OC)C1 ZINC001192207042 1281860216 /nfs/dbraw/zinc/86/02/16/1281860216.db2.gz UHPMQAFIDXWVGH-KGLIPLIRSA-N 1 2 347.297 2.489 20 30 EEEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1n[nH]c2ccc(F)cc12 ZINC001273642567 1282068014 /nfs/dbraw/zinc/06/80/14/1282068014.db2.gz NFOHUXZYNWWWFM-IAGOWNOFSA-N 1 2 328.391 2.453 20 30 EEEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1n[nH]c2ccc(F)cc12 ZINC001273642567 1282068018 /nfs/dbraw/zinc/06/80/18/1282068018.db2.gz NFOHUXZYNWWWFM-IAGOWNOFSA-N 1 2 328.391 2.453 20 30 EEEDLO C=C[C@H]1C[C@@]1(NC(=O)c1cccc(-c2c[nH+]cn2C)c1)C(=O)OCC ZINC001194918485 1283361156 /nfs/dbraw/zinc/36/11/56/1283361156.db2.gz WYYBKVIGWLIEFU-KXBFYZLASA-N 1 2 339.395 2.325 20 30 EEEDLO C=CCOCC(=O)N1CC[C@@]2(CCN(c3nc(C)[nH+]c(C)c3C)C2)C1 ZINC001110472115 1283615381 /nfs/dbraw/zinc/61/53/81/1283615381.db2.gz LUCONVNWWRMXFW-LJQANCHMSA-N 1 2 344.459 2.033 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2F)CC1 ZINC001195652446 1283664267 /nfs/dbraw/zinc/66/42/67/1283664267.db2.gz 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CC[N@@H+](Cc1nc(C)oc1C)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 ZINC001152641884 1316701415 /nfs/dbraw/zinc/70/14/15/1316701415.db2.gz USVGHBJETOCCBH-LLVKDONJSA-N 1 2 329.404 2.132 20 30 EEEDLO C#CCC1(C(=O)NCC[NH2+]Cc2nnc(C3CC3)o2)CCCCC1 ZINC001153009453 1316758272 /nfs/dbraw/zinc/75/82/72/1316758272.db2.gz MBDDFIOLMVIXSM-UHFFFAOYSA-N 1 2 330.432 2.127 20 30 EEEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cn(C(C)(C)C)nn1)CCC2 ZINC001249481860 1317099990 /nfs/dbraw/zinc/09/99/90/1317099990.db2.gz OJOSLGCPAJQBTI-UHFFFAOYSA-N 1 2 344.463 2.338 20 30 EEEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cn(C(C)(C)C)nn1)CCC2 ZINC001249481860 1317099998 /nfs/dbraw/zinc/09/99/98/1317099998.db2.gz OJOSLGCPAJQBTI-UHFFFAOYSA-N 1 2 344.463 2.338 20 30 EEEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)c(OC)nc2OC)C1 ZINC001250343905 1317239375 /nfs/dbraw/zinc/23/93/75/1317239375.db2.gz AEBULANSQKUNPT-OAHLLOKOSA-N 1 2 349.431 2.284 20 30 EEEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)c(OC)nc2OC)C1 ZINC001250343905 1317239383 /nfs/dbraw/zinc/23/93/83/1317239383.db2.gz AEBULANSQKUNPT-OAHLLOKOSA-N 1 2 349.431 2.284 20 30 EEEDLO CCCCCCCC[C@@H](O)C[N@@H+]1CCc2c(nnn2C)[C@@H]1COC ZINC001252126832 1317559583 /nfs/dbraw/zinc/55/95/83/1317559583.db2.gz TXFPUBZCHSWSDU-WBVHZDCISA-N 1 2 338.496 2.472 20 30 EEEDLO CCCCCCCC[C@@H](O)C[N@H+]1CCc2c(nnn2C)[C@@H]1COC ZINC001252126832 1317559587 /nfs/dbraw/zinc/55/95/87/1317559587.db2.gz TXFPUBZCHSWSDU-WBVHZDCISA-N 1 2 338.496 2.472 20 30 EEEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@@]2(C1)COCc1c(C)nc(N(C)C)nc12 ZINC001255169545 1318309346 /nfs/dbraw/zinc/30/93/46/1318309346.db2.gz GWZJESYDAPSFAP-KBXCAEBGSA-N 1 2 329.448 2.017 20 30 EEEDLO CC[C@@H](CC#N)[N@H+]1CC[C@@]2(C1)COCc1c(C)nc(N(C)C)nc12 ZINC001255169545 1318309354 /nfs/dbraw/zinc/30/93/54/1318309354.db2.gz GWZJESYDAPSFAP-KBXCAEBGSA-N 1 2 329.448 2.017 20 30 EEEDLO N#Cc1ccccc1OCCCNC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156978983 1318324620 /nfs/dbraw/zinc/32/46/20/1318324620.db2.gz HYACVKCFYLITJR-UHFFFAOYSA-N 1 2 335.367 2.216 20 30 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ZINC001278987128 1318923195 /nfs/dbraw/zinc/92/31/95/1318923195.db2.gz PYBGLRXCZWVZLL-KDURUIRLSA-N 1 2 346.438 2.232 20 30 EEEDLO CSc1nc(Cl)c(C#N)c(NCCc2cn3ccccc3[nH+]2)n1 ZINC001158142916 1319041738 /nfs/dbraw/zinc/04/17/38/1319041738.db2.gz YBYYHXBRUREQJT-UHFFFAOYSA-N 1 2 344.831 2.448 20 30 EEEDLO C=CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(F)c(F)c1F ZINC001259082729 1319434920 /nfs/dbraw/zinc/43/49/20/1319434920.db2.gz PCRVUZWNDBKDLR-JTQLQIEISA-N 1 2 334.363 2.033 20 30 EEEDLO C=CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(F)c(F)c1F ZINC001259082729 1319434927 /nfs/dbraw/zinc/43/49/27/1319434927.db2.gz PCRVUZWNDBKDLR-JTQLQIEISA-N 1 2 334.363 2.033 20 30 EEEDLO Cc1ccc(C#N)c(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)n1 ZINC001159144794 1319640348 /nfs/dbraw/zinc/64/03/48/1319640348.db2.gz TYSHSXXZQFBDCY-UHFFFAOYSA-N 1 2 336.399 2.130 20 30 EEEDLO C#CCCCC(=O)NCCC1=CC[N@H+](Cc2nnc(C)n2CC)CC1 ZINC001159957516 1320032784 /nfs/dbraw/zinc/03/27/84/1320032784.db2.gz GJJXOGHQWOFFRY-UHFFFAOYSA-N 1 2 343.475 2.048 20 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ZINC001207654013 1324071806 /nfs/dbraw/zinc/07/18/06/1324071806.db2.gz MYNBBDMSYGPMIQ-GJZGRUSLSA-N 1 2 348.447 2.010 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cncc(OC)n2)C[C@H]1C ZINC001208391655 1324471242 /nfs/dbraw/zinc/47/12/42/1324471242.db2.gz RRPLRMXEFMZMJJ-SQWLQELKSA-N 1 2 332.448 2.024 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cncc(OC)n2)C[C@H]1C ZINC001208391655 1324471249 /nfs/dbraw/zinc/47/12/49/1324471249.db2.gz RRPLRMXEFMZMJJ-SQWLQELKSA-N 1 2 332.448 2.024 20 30 EEEDLO CCn1nc(C)c(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)c1C ZINC001492458521 1331270752 /nfs/dbraw/zinc/27/07/52/1331270752.db2.gz FHWHJLOSBZDRBL-UHFFFAOYSA-N 1 2 339.443 2.253 20 30 EEEDLO CCn1nc(C)c(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)c1C ZINC001492458521 1331270755 /nfs/dbraw/zinc/27/07/55/1331270755.db2.gz FHWHJLOSBZDRBL-UHFFFAOYSA-N 1 2 339.443 2.253 20 30 EEEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC(C)(C)OCC2(C)C)c1 ZINC001307482179 1331538211 /nfs/dbraw/zinc/53/82/11/1331538211.db2.gz NSKABDKJEFCOEB-UHFFFAOYSA-N 1 2 343.427 2.205 20 30 EEEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC(C)(C)OCC2(C)C)c1 ZINC001307482179 1331538214 /nfs/dbraw/zinc/53/82/14/1331538214.db2.gz NSKABDKJEFCOEB-UHFFFAOYSA-N 1 2 343.427 2.205 20 30 EEEDLO C=CC[C@@H]1NC(=O)N(C2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1=O ZINC001320894707 1332973695 /nfs/dbraw/zinc/97/36/95/1332973695.db2.gz PEBGSLDUAWXPDR-KRWDZBQOSA-N 1 2 342.443 2.218 20 30 EEEDLO C=CC[C@H]([NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1)C(=O)OCC ZINC001327869476 1334357985 /nfs/dbraw/zinc/35/79/85/1334357985.db2.gz WOULUBKHFZHUCG-OCCSQVGLSA-N 1 2 326.437 2.339 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(C)CC1 ZINC001338694736 1336894985 /nfs/dbraw/zinc/89/49/85/1336894985.db2.gz YZMMEBJNHKRCSC-MRXNPFEDSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(C)CC1 ZINC001338694736 1336894988 /nfs/dbraw/zinc/89/49/88/1336894988.db2.gz YZMMEBJNHKRCSC-MRXNPFEDSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@H](C)C[C@H]1CC ZINC001338963722 1336937690 /nfs/dbraw/zinc/93/76/90/1336937690.db2.gz PRTOLVNOCFUROW-NVXWUHKLSA-N 1 2 347.507 2.293 20 30 EEEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](CF)C1 ZINC001340492229 1337195768 /nfs/dbraw/zinc/19/57/68/1337195768.db2.gz QLJITDVEBJJDBE-HNNXBMFYSA-N 1 2 346.454 2.353 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1C[C@@H](CC)O[C@@H](CC)C1 ZINC001340592751 1337211864 /nfs/dbraw/zinc/21/18/64/1337211864.db2.gz CPZLEYMIEXTNKB-GASCZTMLSA-N 1 2 344.463 2.182 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(C)CCC=CO3)n2CC(=C)C)CC1 ZINC001342039427 1337308045 /nfs/dbraw/zinc/30/80/45/1337308045.db2.gz YHUUCHVYIQCADT-LJQANCHMSA-N 1 2 341.459 2.149 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)C[C@H](C)COC)CC1 ZINC001479894151 1337530187 /nfs/dbraw/zinc/53/01/87/1337530187.db2.gz IDVAOAWZZLDLAE-LBPRGKRZSA-N 1 2 347.297 2.490 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000933062112 1339047160 /nfs/dbraw/zinc/04/71/60/1339047160.db2.gz FWGNMBUICYCSMS-ZWKOTPCHSA-N 1 2 346.471 2.173 20 30 EEEDLO CCc1ccc([C@@H]2CN(S(=O)(=O)c3ccc(C#N)o3)CC[NH2+]2)cc1 ZINC001434673941 1341905916 /nfs/dbraw/zinc/90/59/16/1341905916.db2.gz JCRMZWLFXHSHIK-INIZCTEOSA-N 1 2 345.424 2.049 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH]nn1 ZINC001575085572 1343731790 /nfs/dbraw/zinc/73/17/90/1343731790.db2.gz OBEQHXNRFLORAJ-WBVHZDCISA-N 1 2 331.464 2.338 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cn[nH]n1 ZINC001575085572 1343731792 /nfs/dbraw/zinc/73/17/92/1343731792.db2.gz OBEQHXNRFLORAJ-WBVHZDCISA-N 1 2 331.464 2.338 20 30 EEEDLO C[C@H](C#N)C[N@H+](Cc1cc(-c2nn[nH]n2)ccc1N(C)C)C1CC1 ZINC001588934571 1348949333 /nfs/dbraw/zinc/94/93/33/1348949333.db2.gz PRHPWAFBQOAWPC-GFCCVEGCSA-N 1 2 325.420 2.057 20 30 EEEDLO C[C@H](C#N)C[N@@H+](Cc1cc(-c2nn[nH]n2)ccc1N(C)C)C1CC1 ZINC001588934571 1348949337 /nfs/dbraw/zinc/94/93/37/1348949337.db2.gz PRHPWAFBQOAWPC-GFCCVEGCSA-N 1 2 325.420 2.057 20 30 EEEDLO CN(C)c1nc(Cl)c(C=[NH+]Nc2ccc(-c3nn[nH]n3)cc2)s1 ZINC001591034244 1349433895 /nfs/dbraw/zinc/43/38/95/1349433895.db2.gz ISGQUGXAMALQLU-UHFFFAOYSA-N 1 2 348.823 2.489 20 30 EEEDLO C[C@@H](CC(=O)Nc1ccccc1-n1ncc(C#N)c1N)n1cc[nH+]c1 ZINC001623697756 1352403065 /nfs/dbraw/zinc/40/30/65/1352403065.db2.gz NALDJWFIFAZMIA-LBPRGKRZSA-N 1 2 335.371 2.112 20 30 EEEDLO N#Cc1cc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cs1 ZINC001649943382 1353657701 /nfs/dbraw/zinc/65/77/01/1353657701.db2.gz IQZRTZSKWVQCLZ-UHFFFAOYSA-N 1 2 344.465 2.498 20 30 EEEDLO Cc1nc(NCc2cccc(C(=O)OCCOCCC#N)c2)cc[nH+]1 ZINC000815233104 1367830289 /nfs/dbraw/zinc/83/02/89/1367830289.db2.gz ZMEYBINVIUOMCR-UHFFFAOYSA-N 1 2 340.383 2.484 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2c(F)cccc2F)C1 ZINC001190095248 1368391638 /nfs/dbraw/zinc/39/16/38/1368391638.db2.gz RUSXGNJQQZVPCW-KBPBESRZSA-N 1 2 336.382 2.036 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2c(F)cccc2F)C1 ZINC001190095248 1368391643 /nfs/dbraw/zinc/39/16/43/1368391643.db2.gz RUSXGNJQQZVPCW-KBPBESRZSA-N 1 2 336.382 2.036 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc3ccccc3o2)C[C@H]1O ZINC001195306802 1368517576 /nfs/dbraw/zinc/51/75/76/1368517576.db2.gz HJZXVIPXMRVFHH-NWANDNLSSA-N 1 2 343.427 2.262 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc3ccccc3o2)C[C@H]1O ZINC001195306802 1368517583 /nfs/dbraw/zinc/51/75/83/1368517583.db2.gz HJZXVIPXMRVFHH-NWANDNLSSA-N 1 2 343.427 2.262 20 30 EEEDLO C#CCN(C(=O)Cc1ccco1)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110626046 1369241400 /nfs/dbraw/zinc/24/14/00/1369241400.db2.gz DVNUZMLIINYJPZ-UHFFFAOYSA-N 1 2 338.411 2.051 20 30 EEEDLO C[C@@H]1C(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C(=O)N1c1ccccc1 ZINC000853525844 1369346382 /nfs/dbraw/zinc/34/63/82/1369346382.db2.gz IUQIKNTWPQDDFH-HUUCEWRRSA-N 1 2 326.400 2.427 20 30 EEEDLO C[C@@H]1C(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C(=O)N1c1ccccc1 ZINC000853525844 1369346387 /nfs/dbraw/zinc/34/63/87/1369346387.db2.gz IUQIKNTWPQDDFH-HUUCEWRRSA-N 1 2 326.400 2.427 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2Cc3ccccc3C[N@H+]2CC#CC)cn1 ZINC001054058726 1370061913 /nfs/dbraw/zinc/06/19/13/1370061913.db2.gz VFTPMZZKNJLJJH-OAQYLSRUSA-N 1 2 343.430 2.243 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2Cc3ccccc3C[N@@H+]2CC#CC)cn1 ZINC001054058726 1370061919 /nfs/dbraw/zinc/06/19/19/1370061919.db2.gz VFTPMZZKNJLJJH-OAQYLSRUSA-N 1 2 343.430 2.243 20 30 EEEDLO C[C@@H](CCCNc1ccc(C#N)nc1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001115099474 1371518548 /nfs/dbraw/zinc/51/85/48/1371518548.db2.gz AFJJUBLRZNIMJB-KBPBESRZSA-N 1 2 340.431 2.252 20 30 EEEDLO C[C@@H](CCCNc1ccc(C#N)nc1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001115099474 1371518554 /nfs/dbraw/zinc/51/85/54/1371518554.db2.gz AFJJUBLRZNIMJB-KBPBESRZSA-N 1 2 340.431 2.252 20 30 EEEDLO Cc1cc(NCCCOCCNC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001115408349 1371603990 /nfs/dbraw/zinc/60/39/90/1371603990.db2.gz TYABLQVQUNEKNF-UHFFFAOYSA-N 1 2 344.459 2.257 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H](C)CN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)n1 ZINC001115778967 1371709631 /nfs/dbraw/zinc/70/96/31/1371709631.db2.gz AZDGVNBMARKIMS-ZDUSSCGKSA-N 1 2 340.431 2.221 20 30 EEEDLO C=CCN(CC=C)c1nnc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC ZINC001121802976 1371925667 /nfs/dbraw/zinc/92/56/67/1371925667.db2.gz CFBYBQKDXVFXJE-HZPDHXFCSA-N 1 2 331.464 2.402 20 30 EEEDLO C=CCN(CC=C)c1nnc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC ZINC001121802976 1371925672 /nfs/dbraw/zinc/92/56/72/1371925672.db2.gz CFBYBQKDXVFXJE-HZPDHXFCSA-N 1 2 331.464 2.402 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ncc(OC)cn3)C2)c(C#N)c1 ZINC001137706748 1372254916 /nfs/dbraw/zinc/25/49/16/1372254916.db2.gz PEMTXAAYPXJKQO-MRXNPFEDSA-N 1 2 340.383 2.019 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H](Oc3ncc(OC)cn3)C2)c(C#N)c1 ZINC001137706748 1372254917 /nfs/dbraw/zinc/25/49/17/1372254917.db2.gz PEMTXAAYPXJKQO-MRXNPFEDSA-N 1 2 340.383 2.019 20 30 EEEDLO N#C[C@@H]1CCCCN1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763401 1372525786 /nfs/dbraw/zinc/52/57/86/1372525786.db2.gz LSHIITFKXRDHLS-SFHVURJKSA-N 1 2 329.444 2.276 20 30 EEEDLO CC(C)COC[C@H]1C[N@H+](Cc2ccc(C#N)nc2)Cc2ncn(C)c21 ZINC001140541407 1372598422 /nfs/dbraw/zinc/59/84/22/1372598422.db2.gz HSJNQULDUHZFRV-MRXNPFEDSA-N 1 2 339.443 2.459 20 30 EEEDLO CC(C)COC[C@H]1C[N@@H+](Cc2ccc(C#N)nc2)Cc2ncn(C)c21 ZINC001140541407 1372598426 /nfs/dbraw/zinc/59/84/26/1372598426.db2.gz HSJNQULDUHZFRV-MRXNPFEDSA-N 1 2 339.443 2.459 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001355886999 1373180490 /nfs/dbraw/zinc/18/04/90/1373180490.db2.gz NYMGMPVKNWFLHW-OAGGEKHMSA-N 1 2 333.480 2.338 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001355886999 1373180496 /nfs/dbraw/zinc/18/04/96/1373180496.db2.gz NYMGMPVKNWFLHW-OAGGEKHMSA-N 1 2 333.480 2.338 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H]2COC[C@@H]21 ZINC001355930538 1373183630 /nfs/dbraw/zinc/18/36/30/1373183630.db2.gz YSZPDHJVSXABBA-PMPSAXMXSA-N 1 2 331.464 2.236 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H]2COC[C@@H]21 ZINC001355930538 1373183632 /nfs/dbraw/zinc/18/36/32/1373183632.db2.gz YSZPDHJVSXABBA-PMPSAXMXSA-N 1 2 331.464 2.236 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CCc2ccon2)C1 ZINC001366920934 1374057920 /nfs/dbraw/zinc/05/79/20/1374057920.db2.gz KLPDYODNTFUFED-GOSISDBHSA-N 1 2 338.411 2.260 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)CCc2ccon2)C1 ZINC001366920934 1374057928 /nfs/dbraw/zinc/05/79/28/1374057928.db2.gz KLPDYODNTFUFED-GOSISDBHSA-N 1 2 338.411 2.260 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)Cc1nn(C)c2ccccc12 ZINC001372324629 1375936425 /nfs/dbraw/zinc/93/64/25/1375936425.db2.gz HQTDICNRJWVSPO-UHFFFAOYSA-N 1 2 334.851 2.306 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)Cc1nn(C)c2ccccc12 ZINC001372324629 1375936429 /nfs/dbraw/zinc/93/64/29/1375936429.db2.gz HQTDICNRJWVSPO-UHFFFAOYSA-N 1 2 334.851 2.306 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnc(C(F)(F)F)nc1 ZINC001372363638 1375963778 /nfs/dbraw/zinc/96/37/78/1375963778.db2.gz UYFQJCKZIYBEMV-UHFFFAOYSA-N 1 2 336.745 2.300 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnc(C(F)(F)F)nc1 ZINC001372363638 1375963785 /nfs/dbraw/zinc/96/37/85/1375963785.db2.gz UYFQJCKZIYBEMV-UHFFFAOYSA-N 1 2 336.745 2.300 20 30 EEEDLO Cc1cc(C(=O)NCC[N@H+](Cc2cc(C#N)ccc2F)C2CC2)on1 ZINC001372761214 1376191007 /nfs/dbraw/zinc/19/10/07/1376191007.db2.gz GKIYCGGAFPBNMF-UHFFFAOYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cc(C(=O)NCC[N@@H+](Cc2cc(C#N)ccc2F)C2CC2)on1 ZINC001372761214 1376191009 /nfs/dbraw/zinc/19/10/09/1376191009.db2.gz GKIYCGGAFPBNMF-UHFFFAOYSA-N 1 2 342.374 2.388 20 30 EEEDLO CCO[C@H](CC)C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001373494100 1376533390 /nfs/dbraw/zinc/53/33/90/1376533390.db2.gz OMWIVSXMLIVKPO-QGZVFWFLSA-N 1 2 333.407 2.060 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)CCC2CCCC2)C1 ZINC001376147415 1378328531 /nfs/dbraw/zinc/32/85/31/1378328531.db2.gz MTMPIEVDIKRWBL-OAHLLOKOSA-N 1 2 341.883 2.016 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CNC(=O)CCC2CCCC2)C1 ZINC001376147415 1378328536 /nfs/dbraw/zinc/32/85/36/1378328536.db2.gz MTMPIEVDIKRWBL-OAHLLOKOSA-N 1 2 341.883 2.016 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)c1ccc(F)cn1 ZINC001379038527 1380412989 /nfs/dbraw/zinc/41/29/89/1380412989.db2.gz CCGOPBHFWIMWRV-UHFFFAOYSA-N 1 2 344.365 2.435 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)c1ccc(F)cn1 ZINC001379038527 1380412991 /nfs/dbraw/zinc/41/29/91/1380412991.db2.gz CCGOPBHFWIMWRV-UHFFFAOYSA-N 1 2 344.365 2.435 20 30 EEEDLO C=C(Br)C[NH2+]C[C@@H](C)NC(=O)c1cccc2nc[nH]c21 ZINC001379437746 1380706397 /nfs/dbraw/zinc/70/63/97/1380706397.db2.gz RDSMUGPFKWEXAJ-SNVBAGLBSA-N 1 2 337.221 2.179 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)c2ccccc2)[C@@H]1C ZINC001379644400 1380793782 /nfs/dbraw/zinc/79/37/82/1380793782.db2.gz AVNQXGUDDYLOKM-GOEBONIOSA-N 1 2 349.862 2.138 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)c2ccccc2)[C@@H]1C ZINC001379644400 1380793785 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Cc1cncc(CC(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)c1 ZINC001391496419 1389397466 /nfs/dbraw/zinc/39/74/66/1389397466.db2.gz JWHANOMQJVAXIY-UHFFFAOYSA-N 1 2 334.423 2.052 20 30 EEEDLO CO[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F)C1CC1 ZINC001392273749 1389944239 /nfs/dbraw/zinc/94/42/39/1389944239.db2.gz PYPJGUMWVZZRPO-QGZVFWFLSA-N 1 2 333.407 2.013 20 30 EEEDLO CO[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F)C1CC1 ZINC001392273749 1389944244 /nfs/dbraw/zinc/94/42/44/1389944244.db2.gz PYPJGUMWVZZRPO-QGZVFWFLSA-N 1 2 333.407 2.013 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)CC2CCC2)cc1C#N ZINC001392826839 1390212085 /nfs/dbraw/zinc/21/20/85/1390212085.db2.gz TWAQHXQFHLVVQO-KRWDZBQOSA-N 1 2 327.428 2.448 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)CC2CCC2)cc1C#N ZINC001392826839 1390212088 /nfs/dbraw/zinc/21/20/88/1390212088.db2.gz TWAQHXQFHLVVQO-KRWDZBQOSA-N 1 2 327.428 2.448 20 30 EEEDLO CC[C@H](C)C(=O)N(C)CC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001400189641 1396030192 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/nfs/dbraw/zinc/75/67/14/775756714.db2.gz GHVUMPMZFKGUFU-UHFFFAOYSA-N 1 2 343.456 2.010 20 30 EEEDLO Cc1nn(C)cc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000980833361 775756715 /nfs/dbraw/zinc/75/67/15/775756715.db2.gz GHVUMPMZFKGUFU-UHFFFAOYSA-N 1 2 343.456 2.010 20 30 EEEDLO Cc1[nH]nc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)c1C ZINC000980866943 775875521 /nfs/dbraw/zinc/87/55/21/775875521.db2.gz MFYATYSGYPRJQQ-UHFFFAOYSA-N 1 2 343.456 2.308 20 30 EEEDLO Cc1[nH]nc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)c1C ZINC000980866943 775875526 /nfs/dbraw/zinc/87/55/26/775875526.db2.gz MFYATYSGYPRJQQ-UHFFFAOYSA-N 1 2 343.456 2.308 20 30 EEEDLO CC(C)c1n[nH]cc1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031807452 776122649 /nfs/dbraw/zinc/12/26/49/776122649.db2.gz OEPGQWOADNDDBG-UHFFFAOYSA-N 1 2 343.456 2.328 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C(F)=C3CCCC3)CC2)C1=O ZINC000980966029 776204928 /nfs/dbraw/zinc/20/49/28/776204928.db2.gz DDTHUWFESUNDMY-MRXNPFEDSA-N 1 2 349.450 2.105 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C(F)=C3CCCC3)CC2)C1=O ZINC000980966029 776204934 /nfs/dbraw/zinc/20/49/34/776204934.db2.gz DDTHUWFESUNDMY-MRXNPFEDSA-N 1 2 349.450 2.105 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc2oc(=O)[nH]c21 ZINC001028024974 776343975 /nfs/dbraw/zinc/34/39/75/776343975.db2.gz AMRCWDMAJAQPCG-NSHDSACASA-N 1 2 335.791 2.480 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc2oc(=O)[nH]c21 ZINC001028024974 776343986 /nfs/dbraw/zinc/34/39/86/776343986.db2.gz AMRCWDMAJAQPCG-NSHDSACASA-N 1 2 335.791 2.480 20 30 EEEDLO CC(C)(C)n1cc(C[N@@H+]2CCCN(C(=O)C#CC3CC3)CC2)cn1 ZINC000981125300 776598777 /nfs/dbraw/zinc/59/87/77/776598777.db2.gz CPFRLNIRJUUJNH-UHFFFAOYSA-N 1 2 328.460 2.086 20 30 EEEDLO CC(C)(C)n1cc(C[N@H+]2CCCN(C(=O)C#CC3CC3)CC2)cn1 ZINC000981125300 776598783 /nfs/dbraw/zinc/59/87/83/776598783.db2.gz CPFRLNIRJUUJNH-UHFFFAOYSA-N 1 2 328.460 2.086 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cc(C)n(C)n2)cc1 ZINC001028065448 776943289 /nfs/dbraw/zinc/94/32/89/776943289.db2.gz ASXHKYUUAPMGFS-IBGZPJMESA-N 1 2 336.439 2.104 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cc(C)n(C)n2)cc1 ZINC001028065448 776943292 /nfs/dbraw/zinc/94/32/92/776943292.db2.gz ASXHKYUUAPMGFS-IBGZPJMESA-N 1 2 336.439 2.104 20 30 EEEDLO C[C@H]1C[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3F)CC2)CO1 ZINC000981490278 777510403 /nfs/dbraw/zinc/51/04/03/777510403.db2.gz JXWKEZQJTHVKQQ-YOEHRIQHSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@H]1C[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3F)CC2)CO1 ZINC000981490278 777510407 /nfs/dbraw/zinc/51/04/07/777510407.db2.gz JXWKEZQJTHVKQQ-YOEHRIQHSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@H]1C[C@H](C(=O)N2CCC[N@H+](Cc3ccccc3C#N)CC2)CO1 ZINC000981490983 777512833 /nfs/dbraw/zinc/51/28/33/777512833.db2.gz OEEWHABXWDTLIT-YJBOKZPZSA-N 1 2 327.428 2.018 20 30 EEEDLO C[C@H]1C[C@H](C(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)CO1 ZINC000981490983 777512838 /nfs/dbraw/zinc/51/28/38/777512838.db2.gz OEEWHABXWDTLIT-YJBOKZPZSA-N 1 2 327.428 2.018 20 30 EEEDLO C[C@H]1OCC[C@]1(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000981676004 777963915 /nfs/dbraw/zinc/96/39/15/777963915.db2.gz JLYPXTPTIIOUCE-KDOFPFPSSA-N 1 2 347.484 2.469 20 30 EEEDLO C[C@H]1OCC[C@]1(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000981676004 777963918 /nfs/dbraw/zinc/96/39/18/777963918.db2.gz JLYPXTPTIIOUCE-KDOFPFPSSA-N 1 2 347.484 2.469 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+](Cc2ccnc(OC)n2)CC1 ZINC000981735125 778131161 /nfs/dbraw/zinc/13/11/61/778131161.db2.gz ARRTZQNXTVKONP-UHFFFAOYSA-N 1 2 332.448 2.122 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](Cc2ccnc(OC)n2)CC1 ZINC000981735125 778131162 /nfs/dbraw/zinc/13/11/62/778131162.db2.gz ARRTZQNXTVKONP-UHFFFAOYSA-N 1 2 332.448 2.122 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000981754910 778141259 /nfs/dbraw/zinc/14/12/59/778141259.db2.gz SHHGLCUZDBZFTA-IRXDYDNUSA-N 1 2 349.519 2.428 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](CC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000981754910 778141261 /nfs/dbraw/zinc/14/12/61/778141261.db2.gz SHHGLCUZDBZFTA-IRXDYDNUSA-N 1 2 349.519 2.428 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1nc(C)cs1 ZINC001028142867 778402761 /nfs/dbraw/zinc/40/27/61/778402761.db2.gz SBOXEUFFEQAWEW-ZNMIVQPWSA-N 1 2 335.473 2.123 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1nc(C)cs1 ZINC001028142867 778402762 /nfs/dbraw/zinc/40/27/62/778402762.db2.gz SBOXEUFFEQAWEW-ZNMIVQPWSA-N 1 2 335.473 2.123 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnnn1-c1ccccc1 ZINC001028174229 778686443 /nfs/dbraw/zinc/68/64/43/778686443.db2.gz XEEJTAJBXGRODH-HNNXBMFYSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnnn1-c1ccccc1 ZINC001028174229 778686446 /nfs/dbraw/zinc/68/64/46/778686446.db2.gz XEEJTAJBXGRODH-HNNXBMFYSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1nc(C)oc1C ZINC001028195752 778831521 /nfs/dbraw/zinc/83/15/21/778831521.db2.gz URNFHBVFDABLFX-RYRKJORJSA-N 1 2 347.459 2.353 20 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779456283 /nfs/dbraw/zinc/45/62/83/779456283.db2.gz UOHFCNBVNDMLIL-CALCHBBNSA-N 1 2 335.835 2.324 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001031944154 780375321 /nfs/dbraw/zinc/37/53/21/780375321.db2.gz NTAHOUXTENIXJL-HXUWFJFHSA-N 1 2 331.419 2.446 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000941389933 780417161 /nfs/dbraw/zinc/41/71/61/780417161.db2.gz WDRAMSVRFGWFKF-GOSISDBHSA-N 1 2 332.448 2.006 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000941389933 780417166 /nfs/dbraw/zinc/41/71/66/780417166.db2.gz WDRAMSVRFGWFKF-GOSISDBHSA-N 1 2 332.448 2.006 20 30 EEEDLO O=C(C=C1CCCCC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083357653 780995346 /nfs/dbraw/zinc/99/53/46/780995346.db2.gz ZXNRDBGMGSFKTH-UXHICEINSA-N 1 2 338.451 2.090 20 30 EEEDLO O=C(C=C1CCCCC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083357653 780995353 /nfs/dbraw/zinc/99/53/53/780995353.db2.gz ZXNRDBGMGSFKTH-UXHICEINSA-N 1 2 338.451 2.090 20 30 EEEDLO C=C(C)CCC(=O)N(C)CCCN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001112130804 781120251 /nfs/dbraw/zinc/12/02/51/781120251.db2.gz REOYTPBNJSVIPN-UHFFFAOYSA-N 1 2 345.491 2.106 20 30 EEEDLO C=C(C)CCC(=O)N(C)CCCN(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001112130804 781120257 /nfs/dbraw/zinc/12/02/57/781120257.db2.gz REOYTPBNJSVIPN-UHFFFAOYSA-N 1 2 345.491 2.106 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccoc3)[C@@H]2C1 ZINC001075722264 781211171 /nfs/dbraw/zinc/21/11/71/781211171.db2.gz LNPAZBCHNHPSFQ-UONOGXRCSA-N 1 2 339.233 2.263 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccoc3)[C@@H]2C1 ZINC001075722264 781211177 /nfs/dbraw/zinc/21/11/77/781211177.db2.gz LNPAZBCHNHPSFQ-UONOGXRCSA-N 1 2 339.233 2.263 20 30 EEEDLO CCN(CCNc1ccc(C#N)nc1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001106964611 781577606 /nfs/dbraw/zinc/57/76/06/781577606.db2.gz MLNXKKBZZCEXPW-AWEZNQCLSA-N 1 2 326.404 2.061 20 30 EEEDLO CCN(CCNc1ncccc1C#N)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001106990446 783236490 /nfs/dbraw/zinc/23/64/90/783236490.db2.gz MDOFJAGYGGXBMT-UHFFFAOYSA-N 1 2 334.383 2.404 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)CSCC#N)C[N@@H+]1Cc1cc(C2CC2)no1 ZINC001131830138 783325283 /nfs/dbraw/zinc/32/52/83/783325283.db2.gz ORNBQDKOGITOHD-JSGCOSHPSA-N 1 2 348.472 2.278 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)CSCC#N)C[N@H+]1Cc1cc(C2CC2)no1 ZINC001131830138 783325292 /nfs/dbraw/zinc/32/52/92/783325292.db2.gz ORNBQDKOGITOHD-JSGCOSHPSA-N 1 2 348.472 2.278 20 30 EEEDLO CC(C)Cc1noc(C[NH2+][C@@H]2CCCCCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001088281281 783352153 /nfs/dbraw/zinc/35/21/53/783352153.db2.gz KIYPDZKDUZRGDZ-HUUCEWRRSA-N 1 2 347.463 2.289 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C[C@H](CC)CCCC)[C@@H](n2ccnn2)C1 ZINC001129112708 784067963 /nfs/dbraw/zinc/06/79/63/784067963.db2.gz JKIHDOLNRPOXJR-KURKYZTESA-N 1 2 345.491 2.249 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@H](CC)CCCC)[C@@H](n2ccnn2)C1 ZINC001129112708 784067965 /nfs/dbraw/zinc/06/79/65/784067965.db2.gz JKIHDOLNRPOXJR-KURKYZTESA-N 1 2 345.491 2.249 20 30 EEEDLO O=C(NCC[NH2+]CC#Cc1ccc(F)cc1)c1cccc2nc[nH]c21 ZINC001135626284 784098336 /nfs/dbraw/zinc/09/83/36/784098336.db2.gz MEKZVONUXBBSAG-UHFFFAOYSA-N 1 2 336.370 2.073 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2coc3cc(F)ccc32)C1 ZINC001035423773 784468037 /nfs/dbraw/zinc/46/80/37/784468037.db2.gz LWZGZHNEMKAQET-CQSZACIVSA-N 1 2 330.359 2.026 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2coc3cc(F)ccc32)C1 ZINC001035423773 784468040 /nfs/dbraw/zinc/46/80/40/784468040.db2.gz LWZGZHNEMKAQET-CQSZACIVSA-N 1 2 330.359 2.026 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc3c(o2)c(F)ccc3C)C1 ZINC001035452864 784500433 /nfs/dbraw/zinc/50/04/33/784500433.db2.gz INEVHDHYGZACOU-CQSZACIVSA-N 1 2 344.386 2.334 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc3c(o2)c(F)ccc3C)C1 ZINC001035452864 784500434 /nfs/dbraw/zinc/50/04/34/784500434.db2.gz INEVHDHYGZACOU-CQSZACIVSA-N 1 2 344.386 2.334 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001035542478 784650089 /nfs/dbraw/zinc/65/00/89/784650089.db2.gz QHYDSLBFKBZQAN-SFHVURJKSA-N 1 2 340.427 2.083 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001035542478 784650095 /nfs/dbraw/zinc/65/00/95/784650095.db2.gz QHYDSLBFKBZQAN-SFHVURJKSA-N 1 2 340.427 2.083 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cnn(C3CCCCC3)c2)C1 ZINC001035569929 784701805 /nfs/dbraw/zinc/70/18/05/784701805.db2.gz BUODBIGMJCLLGP-QGZVFWFLSA-N 1 2 332.448 2.005 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cnn(C3CCCCC3)c2)C1 ZINC001035569929 784701810 /nfs/dbraw/zinc/70/18/10/784701810.db2.gz BUODBIGMJCLLGP-QGZVFWFLSA-N 1 2 332.448 2.005 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnn(C3CCCCC3)c2)C1 ZINC001035574697 784713348 /nfs/dbraw/zinc/71/33/48/784713348.db2.gz UOKCBJWXJVLLLA-GOSISDBHSA-N 1 2 346.475 2.395 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnn(C3CCCCC3)c2)C1 ZINC001035574697 784713352 /nfs/dbraw/zinc/71/33/52/784713352.db2.gz UOKCBJWXJVLLLA-GOSISDBHSA-N 1 2 346.475 2.395 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001035609133 784844558 /nfs/dbraw/zinc/84/45/58/784844558.db2.gz HMWQDIHCTIEUOQ-CQSZACIVSA-N 1 2 334.485 2.500 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001035609133 784844563 /nfs/dbraw/zinc/84/45/63/784844563.db2.gz HMWQDIHCTIEUOQ-CQSZACIVSA-N 1 2 334.485 2.500 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC2(C[NH+](Cc3ccc(Cl)nc3)C2)CC1 ZINC001035674486 784917289 /nfs/dbraw/zinc/91/72/89/784917289.db2.gz XXAGQRSRQYZTGH-CYBMUJFWSA-N 1 2 332.835 2.319 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc(C)nnc1C)CC2 ZINC001035712257 784997154 /nfs/dbraw/zinc/99/71/54/784997154.db2.gz HMQLIPXVAFATGD-UHFFFAOYSA-N 1 2 334.851 2.384 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCn3nccc31)CC2 ZINC001035739913 785053785 /nfs/dbraw/zinc/05/37/85/785053785.db2.gz GDSLRMQWWFTVBF-OAHLLOKOSA-N 1 2 348.878 2.437 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C)c1cnn(C)c1)CC2 ZINC001035864531 785315077 /nfs/dbraw/zinc/31/50/77/785315077.db2.gz HQZCZPCRUUYXID-CQSZACIVSA-N 1 2 336.867 2.201 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](C)c3ccsc3)nn2)C1 ZINC001107211262 786411959 /nfs/dbraw/zinc/41/19/59/786411959.db2.gz OIMILBAONAAVSS-CYBMUJFWSA-N 1 2 345.472 2.192 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@]3(C)CCC[C@H]3C)nn2)C1 ZINC001107205984 786412916 /nfs/dbraw/zinc/41/29/16/786412916.db2.gz HFIWQDMCIOVABQ-RDTXWAMCSA-N 1 2 331.464 2.153 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@@H](C)c3ccccc3)nn2)C1 ZINC001107233545 786548976 /nfs/dbraw/zinc/54/89/76/786548976.db2.gz LPOIUBLZTMWTCM-OAHLLOKOSA-N 1 2 339.443 2.131 20 30 EEEDLO CCCc1nc(C[NH2+]C[C@H]2[C@H](C)CCCN2C(=O)C#CC2CC2)no1 ZINC001036549842 786645529 /nfs/dbraw/zinc/64/55/29/786645529.db2.gz LIZJHOZCQOQORG-ZBFHGGJFSA-N 1 2 344.459 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C3CC3)nc2C)[C@H](O)C1 ZINC001090580804 787046514 /nfs/dbraw/zinc/04/65/14/787046514.db2.gz LVARPZBWXMVWME-IAGOWNOFSA-N 1 2 349.862 2.185 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C3CC3)nc2C)[C@H](O)C1 ZINC001090580804 787046524 /nfs/dbraw/zinc/04/65/24/787046524.db2.gz LVARPZBWXMVWME-IAGOWNOFSA-N 1 2 349.862 2.185 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)cc(F)c2)[C@H](O)C1 ZINC001090587316 787087316 /nfs/dbraw/zinc/08/73/16/787087316.db2.gz WZRFYUNFAQKYTP-LSDHHAIUSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)cc(F)c2)[C@H](O)C1 ZINC001090587316 787087325 /nfs/dbraw/zinc/08/73/25/787087325.db2.gz WZRFYUNFAQKYTP-LSDHHAIUSA-N 1 2 326.799 2.052 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1C[C@H](Nc2cc[nH+]c(C)n2)C12CCC2 ZINC001090609680 787285691 /nfs/dbraw/zinc/28/56/91/787285691.db2.gz SHYWCJXBGGRFEM-LSDHHAIUSA-N 1 2 330.432 2.217 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001062263885 787749236 /nfs/dbraw/zinc/74/92/36/787749236.db2.gz YKQHPWITJCGBAF-MRXNPFEDSA-N 1 2 345.443 2.096 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3c(s2)CCC3)[C@H](O)C1 ZINC001090780425 788233391 /nfs/dbraw/zinc/23/33/91/788233391.db2.gz KQTFMSXHOJGTGV-CHWSQXEVSA-N 1 2 340.876 2.154 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3c(s2)CCC3)[C@H](O)C1 ZINC001090780425 788233396 /nfs/dbraw/zinc/23/33/96/788233396.db2.gz KQTFMSXHOJGTGV-CHWSQXEVSA-N 1 2 340.876 2.154 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3o2)[C@H](O)C1 ZINC001090782714 788237164 /nfs/dbraw/zinc/23/71/64/788237164.db2.gz HCSDWMWOEZZXIH-ZIAGYGMSSA-N 1 2 334.803 2.350 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3ccccc3o2)[C@H](O)C1 ZINC001090782714 788237167 /nfs/dbraw/zinc/23/71/67/788237167.db2.gz HCSDWMWOEZZXIH-ZIAGYGMSSA-N 1 2 334.803 2.350 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C3CC3)cc2)[C@H](O)C1 ZINC001090828666 788484247 /nfs/dbraw/zinc/48/42/47/788484247.db2.gz RJHQEVQTBBGGIM-IAGOWNOFSA-N 1 2 334.847 2.482 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C3CC3)cc2)[C@H](O)C1 ZINC001090828666 788484251 /nfs/dbraw/zinc/48/42/51/788484251.db2.gz RJHQEVQTBBGGIM-IAGOWNOFSA-N 1 2 334.847 2.482 20 30 EEEDLO C[C@H](C#N)C(=O)NC[C@]1(C)C[N@H+](Cc2cc3ccccc3o2)CCO1 ZINC001107818559 788564085 /nfs/dbraw/zinc/56/40/85/788564085.db2.gz BTRQSVZFVVLVAB-AUUYWEPGSA-N 1 2 341.411 2.300 20 30 EEEDLO C[C@H](C#N)C(=O)NC[C@]1(C)C[N@@H+](Cc2cc3ccccc3o2)CCO1 ZINC001107818559 788564093 /nfs/dbraw/zinc/56/40/93/788564093.db2.gz BTRQSVZFVVLVAB-AUUYWEPGSA-N 1 2 341.411 2.300 20 30 EEEDLO CC1(C)C[C@H]1C(=O)NC[C@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107874966 788985544 /nfs/dbraw/zinc/98/55/44/788985544.db2.gz STNUJCIHSHMFTO-FXAWDEMLSA-N 1 2 341.455 2.311 20 30 EEEDLO CC1(C)C[C@H]1C(=O)NC[C@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107874966 788985551 /nfs/dbraw/zinc/98/55/51/788985551.db2.gz STNUJCIHSHMFTO-FXAWDEMLSA-N 1 2 341.455 2.311 20 30 EEEDLO C#CCCCC(=O)NC[C@@]1(C)C[N@H+](Cc2sc(C)nc2C)CCO1 ZINC001107901197 789189853 /nfs/dbraw/zinc/18/98/53/789189853.db2.gz KUIZGRFPHOBHGB-SFHVURJKSA-N 1 2 349.500 2.271 20 30 EEEDLO C#CCCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2sc(C)nc2C)CCO1 ZINC001107901197 789189860 /nfs/dbraw/zinc/18/98/60/789189860.db2.gz KUIZGRFPHOBHGB-SFHVURJKSA-N 1 2 349.500 2.271 20 30 EEEDLO N#Cc1cncc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)c1 ZINC001144080000 789220137 /nfs/dbraw/zinc/22/01/37/789220137.db2.gz RYRLURGUDOKHLS-SJORKVTESA-N 1 2 336.395 2.283 20 30 EEEDLO N#Cc1cncc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)c1 ZINC001144080000 789220141 /nfs/dbraw/zinc/22/01/41/789220141.db2.gz RYRLURGUDOKHLS-SJORKVTESA-N 1 2 336.395 2.283 20 30 EEEDLO C=CCCC(=O)NC[C@H]1C[N@H+](Cc2ncoc2C(C)C)CCCO1 ZINC001149361662 789369321 /nfs/dbraw/zinc/36/93/21/789369321.db2.gz JFDLRRQCPFHEBR-HNNXBMFYSA-N 1 2 335.448 2.471 20 30 EEEDLO C=CCCC(=O)NC[C@H]1C[N@@H+](Cc2ncoc2C(C)C)CCCO1 ZINC001149361662 789369328 /nfs/dbraw/zinc/36/93/28/789369328.db2.gz JFDLRRQCPFHEBR-HNNXBMFYSA-N 1 2 335.448 2.471 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001108180345 789542680 /nfs/dbraw/zinc/54/26/80/789542680.db2.gz GMJZIPQHAXLMBP-HXUWFJFHSA-N 1 2 328.456 2.076 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001108180345 789542684 /nfs/dbraw/zinc/54/26/84/789542684.db2.gz GMJZIPQHAXLMBP-HXUWFJFHSA-N 1 2 328.456 2.076 20 30 EEEDLO COc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000845443672 789780049 /nfs/dbraw/zinc/78/00/49/789780049.db2.gz RXVXRGRTLVTHCJ-IUODEOHRSA-N 1 2 326.356 2.190 20 30 EEEDLO C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001107957126 789858094 /nfs/dbraw/zinc/85/80/94/789858094.db2.gz UTPDHRYVDYBILH-WCQYABFASA-N 1 2 326.334 2.060 20 30 EEEDLO C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001107957126 789858101 /nfs/dbraw/zinc/85/81/01/789858101.db2.gz UTPDHRYVDYBILH-WCQYABFASA-N 1 2 326.334 2.060 20 30 EEEDLO C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001107957126 789858104 /nfs/dbraw/zinc/85/81/04/789858104.db2.gz UTPDHRYVDYBILH-WCQYABFASA-N 1 2 326.334 2.060 20 30 EEEDLO C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001107957126 789858109 /nfs/dbraw/zinc/85/81/09/789858109.db2.gz UTPDHRYVDYBILH-WCQYABFASA-N 1 2 326.334 2.060 20 30 EEEDLO C=C[C@@H](CC(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001105863943 789877757 /nfs/dbraw/zinc/87/77/57/789877757.db2.gz WFKLUSHWPXIRRD-DOTOQJQBSA-N 1 2 340.427 2.034 20 30 EEEDLO C#CCCCCC(=O)NCC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001062825850 789923960 /nfs/dbraw/zinc/92/39/60/789923960.db2.gz DUTDFWZAGSVHLR-MRXNPFEDSA-N 1 2 344.459 2.183 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](Cc2cccc(N(C)C)c2)C1 ZINC001030333216 790062045 /nfs/dbraw/zinc/06/20/45/790062045.db2.gz BFYODRLFMNGIDB-MOPGFXCFSA-N 1 2 343.471 2.034 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](CCOc2ccc(C)cc2)C1 ZINC001030332802 790065335 /nfs/dbraw/zinc/06/53/35/790065335.db2.gz QEYNTZZOBYMHLP-MOPGFXCFSA-N 1 2 344.455 2.155 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001060331551 790146346 /nfs/dbraw/zinc/14/63/46/790146346.db2.gz UOMJBYGICDXFCF-APWZRJJASA-N 1 2 346.475 2.230 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC1(CNC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001063511765 791191874 /nfs/dbraw/zinc/19/18/74/791191874.db2.gz JTLAPPRVPVSDRS-INIZCTEOSA-N 1 2 346.475 2.421 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc(C)c(C)o2)[C@@H]1C ZINC001088914159 791511595 /nfs/dbraw/zinc/51/15/95/791511595.db2.gz MVOKDJGSGUKJTO-VKZRIFJHSA-N 1 2 347.459 2.352 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)c(C)o2)[C@@H]1C ZINC001088914159 791511599 /nfs/dbraw/zinc/51/15/99/791511599.db2.gz MVOKDJGSGUKJTO-VKZRIFJHSA-N 1 2 347.459 2.352 20 30 EEEDLO N#Cc1ccc(NCC[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)nc1 ZINC001063850815 791832036 /nfs/dbraw/zinc/83/20/36/791832036.db2.gz VIXGUUARYUUEMK-INIZCTEOSA-N 1 2 338.415 2.102 20 30 EEEDLO C#CCCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(CC)o1)C2 ZINC001148059515 792125986 /nfs/dbraw/zinc/12/59/86/792125986.db2.gz AILUUTYOWQTOEP-UHFFFAOYSA-N 1 2 344.459 2.250 20 30 EEEDLO C#CCCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nnc(CC)o1)C2 ZINC001148059515 792125992 /nfs/dbraw/zinc/12/59/92/792125992.db2.gz AILUUTYOWQTOEP-UHFFFAOYSA-N 1 2 344.459 2.250 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nnc(CC)o1)C2 ZINC001148110836 792158346 /nfs/dbraw/zinc/15/83/46/792158346.db2.gz ISPNAQDLMZPYIW-OAHLLOKOSA-N 1 2 344.459 2.421 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nnc(CC)o1)C2 ZINC001148110836 792158348 /nfs/dbraw/zinc/15/83/48/792158348.db2.gz ISPNAQDLMZPYIW-OAHLLOKOSA-N 1 2 344.459 2.421 20 30 EEEDLO C=CCC1(C(=O)N[C@@H](CNc2cc[nH+]c(C)n2)C2CC2)CCOCC1 ZINC001109883882 806129207 /nfs/dbraw/zinc/12/92/07/806129207.db2.gz XAJZNBBTRURPFW-INIZCTEOSA-N 1 2 344.459 2.465 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nnc(C)[nH]1)C2 ZINC001148146471 792186928 /nfs/dbraw/zinc/18/69/28/792186928.db2.gz DOIIZVPJMHSRGN-KGLIPLIRSA-N 1 2 331.464 2.311 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nnc(C)[nH]1)C2 ZINC001148146471 792186935 /nfs/dbraw/zinc/18/69/35/792186935.db2.gz DOIIZVPJMHSRGN-KGLIPLIRSA-N 1 2 331.464 2.311 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nncn1C)C2 ZINC001148146265 792187138 /nfs/dbraw/zinc/18/71/38/792187138.db2.gz CGYJSLGKKSMNQS-GJZGRUSLSA-N 1 2 331.464 2.013 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nncn1C)C2 ZINC001148146265 792187141 /nfs/dbraw/zinc/18/71/41/792187141.db2.gz CGYJSLGKKSMNQS-GJZGRUSLSA-N 1 2 331.464 2.013 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2[N@H+](Cc2nccn2C)CC3)cc1 ZINC000992100226 792700478 /nfs/dbraw/zinc/70/04/78/792700478.db2.gz QBXLVFPDYLUXCS-GHTZIAJQSA-N 1 2 348.450 2.328 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](Cc2nccn2C)CC3)cc1 ZINC000992100226 792700479 /nfs/dbraw/zinc/70/04/79/792700479.db2.gz QBXLVFPDYLUXCS-GHTZIAJQSA-N 1 2 348.450 2.328 20 30 EEEDLO C=CCCOCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccn(C(C)C)n1)C2 ZINC001148874282 792733442 /nfs/dbraw/zinc/73/34/42/792733442.db2.gz PELMSEMOFNJVOW-UHFFFAOYSA-N 1 2 346.475 2.091 20 30 EEEDLO C=CCCOCC(=O)N1CC2(C1)CC[N@H+](Cc1ccn(C(C)C)n1)C2 ZINC001148874282 792733452 /nfs/dbraw/zinc/73/34/52/792733452.db2.gz PELMSEMOFNJVOW-UHFFFAOYSA-N 1 2 346.475 2.091 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@@H](CNc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001109906817 806197532 /nfs/dbraw/zinc/19/75/32/806197532.db2.gz IXCFJETXNGOHQJ-HOCLYGCPSA-N 1 2 344.459 2.253 20 30 EEEDLO C=C1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](Cc2ncnn2C)CC3)CC1 ZINC000992150960 792933933 /nfs/dbraw/zinc/93/39/33/792933933.db2.gz ITRCVGBJMLGHND-VQIMIIECSA-N 1 2 343.475 2.175 20 30 EEEDLO C=C1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](Cc2ncnn2C)CC3)CC1 ZINC000992150960 792933940 /nfs/dbraw/zinc/93/39/40/792933940.db2.gz ITRCVGBJMLGHND-VQIMIIECSA-N 1 2 343.475 2.175 20 30 EEEDLO N#Cc1ccc(NCC2(CCNC(=O)CCc3[nH]cc[nH+]3)CC2)nc1 ZINC001089933863 792953002 /nfs/dbraw/zinc/95/30/02/792953002.db2.gz OVMMYHVMUFBITR-UHFFFAOYSA-N 1 2 338.415 2.008 20 30 EEEDLO C=CCCC(=O)N1CCCCC[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091916023 793401337 /nfs/dbraw/zinc/40/13/37/793401337.db2.gz UUFJGLRGHPWBRS-HNNXBMFYSA-N 1 2 346.479 2.395 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1C ZINC001091949931 793455562 /nfs/dbraw/zinc/45/55/62/793455562.db2.gz DLFXPNKVINTYJD-CABCVRRESA-N 1 2 332.448 2.194 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccon1 ZINC001089228496 793495944 /nfs/dbraw/zinc/49/59/44/793495944.db2.gz GKRIXHVWLZLAQT-BBWFWOEESA-N 1 2 333.432 2.079 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccon1 ZINC001089228496 793495949 /nfs/dbraw/zinc/49/59/49/793495949.db2.gz GKRIXHVWLZLAQT-BBWFWOEESA-N 1 2 333.432 2.079 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092084349 793551800 /nfs/dbraw/zinc/55/18/00/793551800.db2.gz QLFINSZTRYTFSD-ZBFHGGJFSA-N 1 2 346.475 2.487 20 30 EEEDLO C=CCCC(=O)N[C@H](C)C[C@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001089251484 793668294 /nfs/dbraw/zinc/66/82/94/793668294.db2.gz WALXBRGKVIPBPC-KGLIPLIRSA-N 1 2 331.464 2.126 20 30 EEEDLO C=CCCC(=O)N[C@H](C)C[C@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001089251484 793668298 /nfs/dbraw/zinc/66/82/98/793668298.db2.gz WALXBRGKVIPBPC-KGLIPLIRSA-N 1 2 331.464 2.126 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC001006195919 793721580 /nfs/dbraw/zinc/72/15/80/793721580.db2.gz DKNGHTGWMISNNT-OCCSQVGLSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCC1CC(Nc2[nH+]cnc3c2cnn3C)C1 ZINC001092257965 793768224 /nfs/dbraw/zinc/76/82/24/793768224.db2.gz ORLQXOYLHREEDL-HSBZDZAISA-N 1 2 342.447 2.272 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC1CC(Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001092261964 793773438 /nfs/dbraw/zinc/77/34/38/793773438.db2.gz ZNIXLSXGPGRSOL-JRSKDTKFSA-N 1 2 346.479 2.155 20 30 EEEDLO C[C@@H]1C[C@@H](Nc2cccc(F)c2C#N)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001064832819 793825190 /nfs/dbraw/zinc/82/51/90/793825190.db2.gz STWSRJFQNLLGIP-OLZOCXBDSA-N 1 2 341.390 2.455 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C3CC3)n[nH]2)cc1 ZINC001032644647 793862830 /nfs/dbraw/zinc/86/28/30/793862830.db2.gz OQZGICYOROYGNC-IRXDYDNUSA-N 1 2 347.422 2.258 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@]1(C)CC=CCC1)c1nccn12 ZINC001092369553 793914555 /nfs/dbraw/zinc/91/45/55/793914555.db2.gz DSQQNPHAUZYGLR-YJBOKZPZSA-N 1 2 326.444 2.387 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1scnc1Cl)c1nccn12 ZINC001092413548 793964089 /nfs/dbraw/zinc/96/40/89/793964089.db2.gz VWGXWJSSSQWEFO-JTQLQIEISA-N 1 2 349.847 2.065 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C2CC([NH2+]Cc3noc(C4CC4)n3)C2)C1 ZINC000999360614 794327154 /nfs/dbraw/zinc/32/71/54/794327154.db2.gz QNGFNDJOWRASIW-UHFFFAOYSA-N 1 2 330.432 2.382 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC000999374797 794351911 /nfs/dbraw/zinc/35/19/11/794351911.db2.gz SAVSSGKCRGAAAL-UKRRQHHQSA-N 1 2 343.431 2.321 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC000999374807 794351994 /nfs/dbraw/zinc/35/19/94/794351994.db2.gz SAVSSGKCRGAAAL-ZFWWWQNUSA-N 1 2 343.431 2.321 20 30 EEEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@H]1CCCO1 ZINC001079386245 794677133 /nfs/dbraw/zinc/67/71/33/794677133.db2.gz DZOBMUGAYKKJQS-ZTFGCOKTSA-N 1 2 346.858 2.307 20 30 EEEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)[C@H]1CCCO1 ZINC001079386245 794677139 /nfs/dbraw/zinc/67/71/39/794677139.db2.gz DZOBMUGAYKKJQS-ZTFGCOKTSA-N 1 2 346.858 2.307 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(-c4nnc[nH]4)c3)CC[C@H]21 ZINC001036788834 795010701 /nfs/dbraw/zinc/01/07/01/795010701.db2.gz IDPDCKCXQAOKMH-ZWKOTPCHSA-N 1 2 349.438 2.031 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(-c4nnc[nH]4)c3)CC[C@H]21 ZINC001036788834 795010710 /nfs/dbraw/zinc/01/07/10/795010710.db2.gz IDPDCKCXQAOKMH-ZWKOTPCHSA-N 1 2 349.438 2.031 20 30 EEEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1ncc[nH]1 ZINC001079672209 795077065 /nfs/dbraw/zinc/07/70/65/795077065.db2.gz ZLPLMEXKDVRLPV-CZUORRHYSA-N 1 2 342.830 2.165 20 30 EEEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1NC(=O)c1ncc[nH]1 ZINC001079672209 795077071 /nfs/dbraw/zinc/07/70/71/795077071.db2.gz ZLPLMEXKDVRLPV-CZUORRHYSA-N 1 2 342.830 2.165 20 30 EEEDLO C=CC[NH2+]C1CCC2(CC1)CN(C(=O)C(F)C(F)(F)F)CCO2 ZINC001093398375 795174245 /nfs/dbraw/zinc/17/42/45/795174245.db2.gz RPYPBKHBAJQXKY-MBHSVXNSSA-N 1 2 338.345 2.203 20 30 EEEDLO C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H](F)C(F)(F)F)CCO2 ZINC001093398375 795174248 /nfs/dbraw/zinc/17/42/48/795174248.db2.gz RPYPBKHBAJQXKY-MBHSVXNSSA-N 1 2 338.345 2.203 20 30 EEEDLO C=CCC(C)(C)C(=O)N(CC)C1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001079787079 795192153 /nfs/dbraw/zinc/19/21/53/795192153.db2.gz FIBRTPLYJMLSDX-UHFFFAOYSA-N 1 2 346.475 2.014 20 30 EEEDLO CC#CCCCC(=O)N1CC(N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001079791890 795200034 /nfs/dbraw/zinc/20/00/34/795200034.db2.gz TUWIWYKNFUQZRL-MRXNPFEDSA-N 1 2 344.459 2.087 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)[C@H]2C)[nH]1 ZINC000993135780 795378421 /nfs/dbraw/zinc/37/84/21/795378421.db2.gz IHIJYVOJCVQZCF-SUMWQHHRSA-N 1 2 337.427 2.373 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)[C@H]2C)[nH]1 ZINC000993135780 795378430 /nfs/dbraw/zinc/37/84/30/795378430.db2.gz IHIJYVOJCVQZCF-SUMWQHHRSA-N 1 2 337.427 2.373 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001077930206 795386760 /nfs/dbraw/zinc/38/67/60/795386760.db2.gz RTKDVOXPRBNSGV-GJZGRUSLSA-N 1 2 347.459 2.246 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)c3cccnc3)CC2)C1 ZINC001093592549 795405339 /nfs/dbraw/zinc/40/53/39/795405339.db2.gz IVSJXDSQYUFMOG-HNNXBMFYSA-N 1 2 329.444 2.063 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3oc(CCC)nc3C)CC2)C1 ZINC001093592685 795405453 /nfs/dbraw/zinc/40/54/53/795405453.db2.gz KBVNJYLHNHISHX-UHFFFAOYSA-N 1 2 347.459 2.427 20 30 EEEDLO C=CCCC1(C(=O)N2CC(N(CC)C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001079966536 795415075 /nfs/dbraw/zinc/41/50/75/795415075.db2.gz ZADOCWIHUUOQNL-UHFFFAOYSA-N 1 2 344.459 2.148 20 30 EEEDLO C=CCCC1(C(=O)N2CC(N(CC)C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001079966536 795415079 /nfs/dbraw/zinc/41/50/79/795415079.db2.gz ZADOCWIHUUOQNL-UHFFFAOYSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC(N(CC)C(=O)CCCn2cc[nH+]c2)C1 ZINC001080026696 795503165 /nfs/dbraw/zinc/50/31/65/795503165.db2.gz CWDUCZNOVRLISM-INIZCTEOSA-N 1 2 346.475 2.325 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COc3ccccc3C2)C1 ZINC001080081615 795572156 /nfs/dbraw/zinc/57/21/56/795572156.db2.gz RFMQMQPQKDFPMD-DAXOMENPSA-N 1 2 334.847 2.427 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COc3ccccc3C2)C1 ZINC001080081615 795572161 /nfs/dbraw/zinc/57/21/61/795572161.db2.gz RFMQMQPQKDFPMD-DAXOMENPSA-N 1 2 334.847 2.427 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106441865 795595179 /nfs/dbraw/zinc/59/51/79/795595179.db2.gz GOSRVMNVAVAOBI-GXTWGEPZSA-N 1 2 330.432 2.007 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)COC/C=C\c2ccccc2)C1 ZINC001108022417 795621277 /nfs/dbraw/zinc/62/12/77/795621277.db2.gz IDEDMMDUMLDTJT-ROFLEHJCSA-N 1 2 344.455 2.110 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)COC/C=C\c2ccccc2)C1 ZINC001108022417 795621283 /nfs/dbraw/zinc/62/12/83/795621283.db2.gz IDEDMMDUMLDTJT-ROFLEHJCSA-N 1 2 344.455 2.110 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H](C)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106456386 795623901 /nfs/dbraw/zinc/62/39/01/795623901.db2.gz ZIQWFSVWMAVOQU-GFCCVEGCSA-N 1 2 334.468 2.155 20 30 EEEDLO C=CC1(CC(=O)NCCNc2nc(N(C)C)nc(C)[nH+]2)CCCCC1 ZINC001093724411 795632650 /nfs/dbraw/zinc/63/26/50/795632650.db2.gz YOSVNZZHGXNWEW-UHFFFAOYSA-N 1 2 346.479 2.301 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC(N(CC)C(=O)CCc2c[nH+]cn2C)C1 ZINC001080246685 795754951 /nfs/dbraw/zinc/75/49/51/795754951.db2.gz NSWYSDWWCOMFIG-OAHLLOKOSA-N 1 2 346.475 2.014 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106519341 795761806 /nfs/dbraw/zinc/76/18/06/795761806.db2.gz JVZDPJYUCARHNV-AWEZNQCLSA-N 1 2 345.491 2.374 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106519341 795761809 /nfs/dbraw/zinc/76/18/09/795761809.db2.gz JVZDPJYUCARHNV-AWEZNQCLSA-N 1 2 345.491 2.374 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C(C)(C)C)c1CC ZINC001032786369 795810713 /nfs/dbraw/zinc/81/07/13/795810713.db2.gz AKFZRTPBSZJOTF-GJZGRUSLSA-N 1 2 328.460 2.123 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C(C)(C)C)c1CC ZINC001032786369 795810719 /nfs/dbraw/zinc/81/07/19/795810719.db2.gz AKFZRTPBSZJOTF-GJZGRUSLSA-N 1 2 328.460 2.123 20 30 EEEDLO Cc1ccc(C#N)c(NCC[C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001106601475 795936439 /nfs/dbraw/zinc/93/64/39/795936439.db2.gz JGESTCDFIRVCLV-JSGCOSHPSA-N 1 2 340.431 2.170 20 30 EEEDLO Cc1ccc(C#N)c(NCC[C@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001106601475 795936441 /nfs/dbraw/zinc/93/64/41/795936441.db2.gz JGESTCDFIRVCLV-JSGCOSHPSA-N 1 2 340.431 2.170 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001060959932 796052597 /nfs/dbraw/zinc/05/25/97/796052597.db2.gz MGJNZLUNDNCWDK-ZDUSSCGKSA-N 1 2 342.447 2.226 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3ccc(C)s3)nn2)C1 ZINC001094269214 796053004 /nfs/dbraw/zinc/05/30/04/796053004.db2.gz NLXCHFMSSRQQKB-UHFFFAOYSA-N 1 2 331.445 2.011 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3cc(C)cs3)nn2)C1 ZINC001094289641 796091835 /nfs/dbraw/zinc/09/18/35/796091835.db2.gz SEOUWXAWLZUMPD-UHFFFAOYSA-N 1 2 331.445 2.011 20 30 EEEDLO Cc1nc(NC[C@H]2CC[C@H](NC(=O)CSCC#N)CC2)cc[nH+]1 ZINC001111636483 796245322 /nfs/dbraw/zinc/24/53/22/796245322.db2.gz YDEMUBMNKRNLDE-HDJSIYSDSA-N 1 2 333.461 2.129 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ncc(C)o3)C[C@H]2C)cn1 ZINC001080809441 796403628 /nfs/dbraw/zinc/40/36/28/796403628.db2.gz RKWPJEZBGRPATJ-SUYBPPKGSA-N 1 2 338.411 2.171 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ncc(C)o3)C[C@H]2C)cn1 ZINC001080809441 796403630 /nfs/dbraw/zinc/40/36/30/796403630.db2.gz RKWPJEZBGRPATJ-SUYBPPKGSA-N 1 2 338.411 2.171 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)[C@H]1C ZINC000993339941 796427572 /nfs/dbraw/zinc/42/75/72/796427572.db2.gz FCTCFRKSCOZYTR-YOEHRIQHSA-N 1 2 337.427 2.373 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@H]1C ZINC000993339941 796427575 /nfs/dbraw/zinc/42/75/75/796427575.db2.gz FCTCFRKSCOZYTR-YOEHRIQHSA-N 1 2 337.427 2.373 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn(C3CCC3)nn2)[C@H]1C ZINC000993369144 796469989 /nfs/dbraw/zinc/46/99/89/796469989.db2.gz ULRSWKNNJMBCRX-TZMCWYRMSA-N 1 2 337.855 2.338 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C3CCC3)nn2)[C@H]1C ZINC000993369144 796469993 /nfs/dbraw/zinc/46/99/93/796469993.db2.gz ULRSWKNNJMBCRX-TZMCWYRMSA-N 1 2 337.855 2.338 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn(C(C)(C)C)nn2)[C@H]1C ZINC000993394470 796528505 /nfs/dbraw/zinc/52/85/05/796528505.db2.gz DGQLGPPMYVBBSN-CHWSQXEVSA-N 1 2 339.871 2.368 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C(C)(C)C)nn2)[C@H]1C ZINC000993394470 796528507 /nfs/dbraw/zinc/52/85/07/796528507.db2.gz DGQLGPPMYVBBSN-CHWSQXEVSA-N 1 2 339.871 2.368 20 30 EEEDLO C#CC[NH2+][C@@H]1CN(C(=O)c2[nH]nc3ccccc32)C[C@H]1c1ccccc1 ZINC001081219423 796677167 /nfs/dbraw/zinc/67/71/67/796677167.db2.gz AZSVVHYQVYLCNF-PKOBYXMFSA-N 1 2 344.418 2.394 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cncn2C)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993563379 796823702 /nfs/dbraw/zinc/82/37/02/796823702.db2.gz DDAHSAJSISBRHF-YOEHRIQHSA-N 1 2 337.427 2.075 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cncn2C)CCC[N@H+]1Cc1ccccc1C#N ZINC000993563379 796823706 /nfs/dbraw/zinc/82/37/06/796823706.db2.gz DDAHSAJSISBRHF-YOEHRIQHSA-N 1 2 337.427 2.075 20 30 EEEDLO C[C@H](CC(=O)N1CC[C@@H](CNc2ncccc2C#N)C1)n1cc[nH+]c1 ZINC001061001945 796827754 /nfs/dbraw/zinc/82/77/54/796827754.db2.gz ZEJTXZGWMZXZIM-CABCVRRESA-N 1 2 338.415 2.061 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2ncc3cccnc32)[C@H]1C ZINC000993609718 796836711 /nfs/dbraw/zinc/83/67/11/796836711.db2.gz HLMGIWDPTVIFIO-HIFRSBDPSA-N 1 2 347.850 2.153 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2ncc3cccnc32)[C@H]1C ZINC000993609718 796836717 /nfs/dbraw/zinc/83/67/17/796836717.db2.gz HLMGIWDPTVIFIO-HIFRSBDPSA-N 1 2 347.850 2.153 20 30 EEEDLO C#CCC[N@H+]1CCC[C@@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)[C@@H]1C ZINC000993610811 796839205 /nfs/dbraw/zinc/83/92/05/796839205.db2.gz GNUVGKOBNSICFX-NWDGAFQWSA-N 1 2 342.365 2.343 20 30 EEEDLO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)[C@@H]1C ZINC000993610811 796839210 /nfs/dbraw/zinc/83/92/10/796839210.db2.gz GNUVGKOBNSICFX-NWDGAFQWSA-N 1 2 342.365 2.343 20 30 EEEDLO N#CCN[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C12CCC2 ZINC001078688550 796868693 /nfs/dbraw/zinc/86/86/93/796868693.db2.gz RKRBAXRRWMWRBK-DLBZAZTESA-N 1 2 335.411 2.026 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnn3cccnc23)[C@H]1C ZINC000993657362 796916419 /nfs/dbraw/zinc/91/64/19/796916419.db2.gz DZKQQGGRUVMDAF-TZMCWYRMSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn3cccnc23)[C@H]1C ZINC000993657362 796916425 /nfs/dbraw/zinc/91/64/25/796916425.db2.gz DZKQQGGRUVMDAF-TZMCWYRMSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3ccnc(OC)n3)[C@H]2C)C1 ZINC000993794177 796999094 /nfs/dbraw/zinc/99/90/94/796999094.db2.gz VSZJDIUOEIPIMG-HOCLYGCPSA-N 1 2 344.459 2.311 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3ccnc(OC)n3)[C@H]2C)C1 ZINC000993794177 796999100 /nfs/dbraw/zinc/99/91/00/796999100.db2.gz VSZJDIUOEIPIMG-HOCLYGCPSA-N 1 2 344.459 2.311 20 30 EEEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]CCC#N)CN1C(=O)OC(C)(C)C ZINC001172688696 797057158 /nfs/dbraw/zinc/05/71/58/797057158.db2.gz PILANRZBQFJLNC-OLZOCXBDSA-N 1 2 339.436 2.209 20 30 EEEDLO N#CCN[C@@H](C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C1CCCC1 ZINC001098848415 797075864 /nfs/dbraw/zinc/07/58/64/797075864.db2.gz AJDVWEUYMAQECY-WMZOPIPTSA-N 1 2 343.475 2.184 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001082100517 797173550 /nfs/dbraw/zinc/17/35/50/797173550.db2.gz PMORWFZJJVARFC-WBVHZDCISA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001082100517 797173553 /nfs/dbraw/zinc/17/35/53/797173553.db2.gz PMORWFZJJVARFC-WBVHZDCISA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1cccnc1)N(C)C)C2 ZINC001110168039 797251758 /nfs/dbraw/zinc/25/17/58/797251758.db2.gz JXOLNBQSPWKZNI-QZWWFDLISA-N 1 2 348.878 2.158 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](c1cccnc1)N(C)C)C2 ZINC001110168039 797251762 /nfs/dbraw/zinc/25/17/62/797251762.db2.gz JXOLNBQSPWKZNI-QZWWFDLISA-N 1 2 348.878 2.158 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001095063488 797298837 /nfs/dbraw/zinc/29/88/37/797298837.db2.gz VYCTYMHCQYVNGO-CQSZACIVSA-N 1 2 340.431 2.145 20 30 EEEDLO CC#CCCCC(=O)N1CCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001082231686 797330250 /nfs/dbraw/zinc/33/02/50/797330250.db2.gz 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C=C[C@@H](C)[C@@H](C)C(=O)N1CCC(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001095247373 797558764 /nfs/dbraw/zinc/55/87/64/797558764.db2.gz HZWCDTQMBQQSJM-CHWSQXEVSA-N 1 2 342.447 2.224 20 30 EEEDLO C#CCOCCC(=O)N1CCC(Nc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095238205 797572339 /nfs/dbraw/zinc/57/23/39/797572339.db2.gz JDDSFGUQFZOSDL-UHFFFAOYSA-N 1 2 344.459 2.351 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC(Nc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001095247462 797597337 /nfs/dbraw/zinc/59/73/37/797597337.db2.gz KIUATXFNPIHBFL-OLZOCXBDSA-N 1 2 346.479 2.107 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001082721615 797662169 /nfs/dbraw/zinc/66/21/69/797662169.db2.gz BFKOLXADEJEKIU-DFHBCGBQSA-N 1 2 332.448 2.486 20 30 EEEDLO Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H](C)C#N)[C@H]3C2)c(Cl)c1 ZINC001083027109 797819680 /nfs/dbraw/zinc/81/96/80/797819680.db2.gz ZDMOUWKXONVVGY-XOKHGSTOSA-N 1 2 347.846 2.220 20 30 EEEDLO Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H](C)C#N)[C@H]3C2)c(Cl)c1 ZINC001083027109 797819685 /nfs/dbraw/zinc/81/96/85/797819685.db2.gz ZDMOUWKXONVVGY-XOKHGSTOSA-N 1 2 347.846 2.220 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3c(C)oc4ccccc43)[C@H]2C1 ZINC001083091847 797865137 /nfs/dbraw/zinc/86/51/37/797865137.db2.gz GDGIUJVIKHNVFS-FUHWJXTLSA-N 1 2 338.407 2.290 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3c(C)oc4ccccc43)[C@H]2C1 ZINC001083091847 797865145 /nfs/dbraw/zinc/86/51/45/797865145.db2.gz GDGIUJVIKHNVFS-FUHWJXTLSA-N 1 2 338.407 2.290 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)c(C)cc3Cl)[C@H]2C1 ZINC001083162459 797903287 /nfs/dbraw/zinc/90/32/87/797903287.db2.gz VSWJLFQPERVMFD-DLBZAZTESA-N 1 2 332.831 2.115 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)c(C)cc3Cl)[C@H]2C1 ZINC001083162459 797903290 /nfs/dbraw/zinc/90/32/90/797903290.db2.gz VSWJLFQPERVMFD-DLBZAZTESA-N 1 2 332.831 2.115 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(Cl)c3F)[C@H]2C1 ZINC001083181396 797920582 /nfs/dbraw/zinc/92/05/82/797920582.db2.gz CSTHFOPNNRCMMB-LSDHHAIUSA-N 1 2 336.794 2.028 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(Cl)c3F)[C@H]2C1 ZINC001083181396 797920585 /nfs/dbraw/zinc/92/05/85/797920585.db2.gz CSTHFOPNNRCMMB-LSDHHAIUSA-N 1 2 336.794 2.028 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(C(=O)NC)c2)[C@H]1C ZINC000994437534 797995556 /nfs/dbraw/zinc/99/55/56/797995556.db2.gz HCRVSZVJATUGFP-CZUORRHYSA-N 1 2 349.862 2.381 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C(=O)NC)c2)[C@H]1C ZINC000994437534 797995562 /nfs/dbraw/zinc/99/55/62/797995562.db2.gz HCRVSZVJATUGFP-CZUORRHYSA-N 1 2 349.862 2.381 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2ccnc(F)c2)CC1 ZINC001002440789 798091425 /nfs/dbraw/zinc/09/14/25/798091425.db2.gz YWMIBPNVVOKUPK-UHFFFAOYSA-N 1 2 342.212 2.324 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001060689110 798093248 /nfs/dbraw/zinc/09/32/48/798093248.db2.gz UIQVVESFPQVRMH-WKILWMFISA-N 1 2 332.448 2.031 20 30 EEEDLO 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/nfs/dbraw/zinc/82/41/54/801824154.db2.gz QQVCDZZLGWIOHF-KRWDZBQOSA-N 1 2 326.375 2.372 20 30 EEEDLO CN(C(=O)c1cc[nH]c1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033107322 801824156 /nfs/dbraw/zinc/82/41/56/801824156.db2.gz QQVCDZZLGWIOHF-KRWDZBQOSA-N 1 2 326.375 2.372 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnc3ccccc3n2)CC1 ZINC001004457951 802122494 /nfs/dbraw/zinc/12/24/94/802122494.db2.gz MRAKAEVXOUCTGS-LJQANCHMSA-N 1 2 349.438 2.470 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnc3ccccc3n2)CC1 ZINC001004457951 802122501 /nfs/dbraw/zinc/12/25/01/802122501.db2.gz MRAKAEVXOUCTGS-LJQANCHMSA-N 1 2 349.438 2.470 20 30 EEEDLO C#CCCCCCC(=O)N1CC[C@@H]([NH2+]Cc2nn(C)cc2Cl)C1 ZINC001184900006 802235813 /nfs/dbraw/zinc/23/58/13/802235813.db2.gz CQHQNNHRXNDFCN-CQSZACIVSA-N 1 2 336.867 2.348 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001185056113 802306143 /nfs/dbraw/zinc/30/61/43/802306143.db2.gz IXNHDCQBXQBCBK-UKRRQHHQSA-N 1 2 332.448 2.315 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001108245812 802341310 /nfs/dbraw/zinc/34/13/10/802341310.db2.gz ZGCRBDYKTMRGEP-LJQANCHMSA-N 1 2 325.412 2.012 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001108245812 802341315 /nfs/dbraw/zinc/34/13/15/802341315.db2.gz ZGCRBDYKTMRGEP-LJQANCHMSA-N 1 2 325.412 2.012 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC001004547245 802346863 /nfs/dbraw/zinc/34/68/63/802346863.db2.gz NALAFBRPFOPIQU-IPMKNSEASA-N 1 2 338.455 2.412 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC001004547245 802346870 /nfs/dbraw/zinc/34/68/70/802346870.db2.gz NALAFBRPFOPIQU-IPMKNSEASA-N 1 2 338.455 2.412 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001066429961 802390849 /nfs/dbraw/zinc/39/08/49/802390849.db2.gz WGPBCEUECGCAKJ-JKSUJKDBSA-N 1 2 346.475 2.062 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001066431566 802398870 /nfs/dbraw/zinc/39/88/70/802398870.db2.gz JLHYONTZENRSLN-CABCVRRESA-N 1 2 332.448 2.052 20 30 EEEDLO CCn1ncc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)c1C ZINC001004577908 802404129 /nfs/dbraw/zinc/40/41/29/802404129.db2.gz UTQCAIMSHZJJBA-QGZVFWFLSA-N 1 2 329.448 2.052 20 30 EEEDLO CCn1ncc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c1C ZINC001004577908 802404135 /nfs/dbraw/zinc/40/41/35/802404135.db2.gz UTQCAIMSHZJJBA-QGZVFWFLSA-N 1 2 329.448 2.052 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001033145906 802431182 /nfs/dbraw/zinc/43/11/82/802431182.db2.gz LPSLWQIBUPOIDX-OAHLLOKOSA-N 1 2 328.416 2.317 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001033145906 802431191 /nfs/dbraw/zinc/43/11/91/802431191.db2.gz LPSLWQIBUPOIDX-OAHLLOKOSA-N 1 2 328.416 2.317 20 30 EEEDLO Cn1cc[nH+]c1NN=Cc1ccccc1I ZINC000790305621 808600182 /nfs/dbraw/zinc/60/01/82/808600182.db2.gz LEHQAVDBSTYKOU-UHFFFAOYSA-N 1 2 326.141 2.471 20 30 EEEDLO CCOc1cccnc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004635920 802526229 /nfs/dbraw/zinc/52/62/29/802526229.db2.gz RCZFEAISHYHLIJ-INIZCTEOSA-N 1 2 342.443 2.320 20 30 EEEDLO CCOc1cccnc1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004635920 802526232 /nfs/dbraw/zinc/52/62/32/802526232.db2.gz RCZFEAISHYHLIJ-INIZCTEOSA-N 1 2 342.443 2.320 20 30 EEEDLO CCCc1nc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C#CC2CC2)no1 ZINC001004854586 803086353 /nfs/dbraw/zinc/08/63/53/803086353.db2.gz PMMPSZYXIHUPCI-ZBFHGGJFSA-N 1 2 344.459 2.295 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCc2cccs2)[C@@H](O)C1 ZINC001100104114 803167259 /nfs/dbraw/zinc/16/72/59/803167259.db2.gz WVKFOTYXELCZGI-CABCVRRESA-N 1 2 342.892 2.375 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCc2cccs2)[C@@H](O)C1 ZINC001100104114 803167261 /nfs/dbraw/zinc/16/72/61/803167261.db2.gz WVKFOTYXELCZGI-CABCVRRESA-N 1 2 342.892 2.375 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001108333053 803306233 /nfs/dbraw/zinc/30/62/33/803306233.db2.gz LHDDLQQMIBSURP-SFHVURJKSA-N 1 2 334.464 2.238 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001108333053 803306241 /nfs/dbraw/zinc/30/62/41/803306241.db2.gz LHDDLQQMIBSURP-SFHVURJKSA-N 1 2 334.464 2.238 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc3c(C)cccn3c2)C1 ZINC001108338392 803321183 /nfs/dbraw/zinc/32/11/83/803321183.db2.gz GAVXXBLSUMBFOV-IBGZPJMESA-N 1 2 327.428 2.254 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc3c(C)cccn3c2)C1 ZINC001108338392 803321190 /nfs/dbraw/zinc/32/11/90/803321190.db2.gz GAVXXBLSUMBFOV-IBGZPJMESA-N 1 2 327.428 2.254 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)COc2ccc(CC)cc2)C1 ZINC001108379100 803403095 /nfs/dbraw/zinc/40/30/95/803403095.db2.gz TYPVORCALCSMJP-LJQANCHMSA-N 1 2 332.444 2.021 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)COc2ccc(CC)cc2)C1 ZINC001108379100 803403101 /nfs/dbraw/zinc/40/31/01/803403101.db2.gz TYPVORCALCSMJP-LJQANCHMSA-N 1 2 332.444 2.021 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(c3ccccc3OC)CC2)C1 ZINC001108439926 803580235 /nfs/dbraw/zinc/58/02/35/803580235.db2.gz YRZVIXWQTAFQTP-IBGZPJMESA-N 1 2 344.455 2.120 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(c3ccccc3OC)CC2)C1 ZINC001108439926 803580236 /nfs/dbraw/zinc/58/02/36/803580236.db2.gz YRZVIXWQTAFQTP-IBGZPJMESA-N 1 2 344.455 2.120 20 30 EEEDLO COC(=O)n1ncc(C#N)c1Nc1cc(N)c(C(F)(F)F)c[nH+]1 ZINC001169962162 804253320 /nfs/dbraw/zinc/25/33/20/804253320.db2.gz JGUXFPNOEULUMM-UHFFFAOYSA-N 1 2 326.238 2.109 20 30 EEEDLO C[C@@H](CNc1ccc(C#N)nc1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001108629258 804314543 /nfs/dbraw/zinc/31/45/43/804314543.db2.gz WMFAANLWLDVHCL-AWEZNQCLSA-N 1 2 346.394 2.369 20 30 EEEDLO C[C@@H](CNc1cccc(F)c1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001108707226 804391258 /nfs/dbraw/zinc/39/12/58/804391258.db2.gz AJNIGZLJRIWPPB-YNEHKIRRSA-N 1 2 341.390 2.151 20 30 EEEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001108947111 804721684 /nfs/dbraw/zinc/72/16/84/804721684.db2.gz FHUJJQVFPKRUIW-IKGGRYGDSA-N 1 2 340.452 2.037 20 30 EEEDLO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001108947111 804721687 /nfs/dbraw/zinc/72/16/87/804721687.db2.gz FHUJJQVFPKRUIW-IKGGRYGDSA-N 1 2 340.452 2.037 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001108995246 804795865 /nfs/dbraw/zinc/79/58/65/804795865.db2.gz FRZFOEJMNMCQJW-GJZGRUSLSA-N 1 2 334.464 2.440 20 30 EEEDLO COc1ccc(F)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C#N)C2 ZINC001109088517 804949486 /nfs/dbraw/zinc/94/94/86/804949486.db2.gz NUWPHKOEVMNLAS-MWNCTCPHSA-N 1 2 331.391 2.215 20 30 EEEDLO COc1ccc(F)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C#N)C2 ZINC001109088517 804949492 /nfs/dbraw/zinc/94/94/92/804949492.db2.gz NUWPHKOEVMNLAS-MWNCTCPHSA-N 1 2 331.391 2.215 20 30 EEEDLO Cc1ccc(C#N)c(N(C)C[C@H](C)NC(=O)c2cccc3[nH+]ccn32)n1 ZINC001109151562 805024944 /nfs/dbraw/zinc/02/49/44/805024944.db2.gz IESFTTWIVHKYGI-AWEZNQCLSA-N 1 2 348.410 2.164 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001109184960 805080708 /nfs/dbraw/zinc/08/07/08/805080708.db2.gz NAEKGEDUOMGNLR-CABCVRRESA-N 1 2 345.491 2.008 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CN(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001109184960 805080718 /nfs/dbraw/zinc/08/07/18/805080718.db2.gz NAEKGEDUOMGNLR-CABCVRRESA-N 1 2 345.491 2.008 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)cs1)C2 ZINC001109238898 805173181 /nfs/dbraw/zinc/17/31/81/805173181.db2.gz ZZGIQMVWHFTXOU-XGUBFFRZSA-N 1 2 347.484 2.082 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)cs1)C2 ZINC001109238898 805173187 /nfs/dbraw/zinc/17/31/87/805173187.db2.gz ZZGIQMVWHFTXOU-XGUBFFRZSA-N 1 2 347.484 2.082 20 30 EEEDLO Cc1nc(N(C)C[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)ccc1C#N ZINC001109312792 805302115 /nfs/dbraw/zinc/30/21/15/805302115.db2.gz LDTCCCOMMHTJQO-GFCCVEGCSA-N 1 2 348.410 2.393 20 30 EEEDLO COCCCCC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001112678784 807000090 /nfs/dbraw/zinc/00/00/90/807000090.db2.gz BQHGDGLTZHKCLG-UHFFFAOYSA-N 1 2 345.443 2.050 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](Cc2ccccc2OC(C)C)CC1 ZINC001112801047 807295943 /nfs/dbraw/zinc/29/59/43/807295943.db2.gz CNMSRUDBWLBYKQ-FQEVSTJZSA-N 1 2 346.471 2.445 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC001112846201 807403415 /nfs/dbraw/zinc/40/34/15/807403415.db2.gz IMRCIHWPLNCKRM-CQSZACIVSA-N 1 2 336.382 2.307 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)C2([C@@H]3CCCCO3)CCC2)CC1 ZINC001113094578 808108309 /nfs/dbraw/zinc/10/83/09/808108309.db2.gz YWPYHRYLVLMUSB-KRWDZBQOSA-N 1 2 336.476 2.073 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCOC[C@H]2CCCCO2)CC1 ZINC001113184483 808401436 /nfs/dbraw/zinc/40/14/36/808401436.db2.gz IIMCZPROOHHYHA-QGZVFWFLSA-N 1 2 338.492 2.319 20 30 EEEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccccc2SCC#N)C[C@H](C)O1 ZINC000790121834 808446544 /nfs/dbraw/zinc/44/65/44/808446544.db2.gz MVDXJNQXSDPULP-GASCZTMLSA-N 1 2 347.484 2.483 20 30 EEEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccccc2SCC#N)C[C@H](C)O1 ZINC000790121834 808446549 /nfs/dbraw/zinc/44/65/49/808446549.db2.gz MVDXJNQXSDPULP-GASCZTMLSA-N 1 2 347.484 2.483 20 30 EEEDLO C=CCCC1(C(=O)N2CC[NH+](CCOC[C@H]3CCCO3)CC2)CC1 ZINC001113305358 808677303 /nfs/dbraw/zinc/67/73/03/808677303.db2.gz MMJFVDXWWOCXKJ-QGZVFWFLSA-N 1 2 336.476 2.073 20 30 EEEDLO C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H](C)Nc1ncccc1C#N ZINC001113349740 808760441 /nfs/dbraw/zinc/76/04/41/808760441.db2.gz INYOCYOYCUGHDM-VXGBXAGGSA-N 1 2 334.383 2.448 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@@H](C)Nc2ccc(C#N)nc2)c[nH+]1 ZINC001113362274 808809208 /nfs/dbraw/zinc/80/92/08/808809208.db2.gz QXMKYOFQLRLKPR-ZIAGYGMSSA-N 1 2 340.431 2.199 20 30 EEEDLO C[C@@H](NC(=O)CCc1[nH+]ccn1C)[C@@H](C)Nc1cccc(F)c1C#N ZINC001113373696 808830865 /nfs/dbraw/zinc/83/08/65/808830865.db2.gz NCBNNUPIJNWJBP-CHWSQXEVSA-N 1 2 343.406 2.369 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cccc(F)c2Cl)CC1 ZINC001113380686 808863328 /nfs/dbraw/zinc/86/33/28/808863328.db2.gz RFQPSSKBTKABMS-UHFFFAOYSA-N 1 2 326.799 2.440 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC001113713527 809618990 /nfs/dbraw/zinc/61/89/90/809618990.db2.gz SBXGGJWWYCPSST-MRXNPFEDSA-N 1 2 332.444 2.239 20 30 EEEDLO CCOC(=O)[C@H](C#N)Nc1nc(C[NH+](C)C)nc2sc(C)c(C)c21 ZINC001170369999 809910158 /nfs/dbraw/zinc/91/01/58/809910158.db2.gz ZCUXVOLCOJYWDA-NSHDSACASA-N 1 2 347.444 2.237 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccnnc2)C1 ZINC001086611858 810181267 /nfs/dbraw/zinc/18/12/67/810181267.db2.gz PSUAKOYJPWLUEJ-DLBZAZTESA-N 1 2 342.830 2.427 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccnnc2)C1 ZINC001086611858 810181269 /nfs/dbraw/zinc/18/12/69/810181269.db2.gz PSUAKOYJPWLUEJ-DLBZAZTESA-N 1 2 342.830 2.427 20 30 EEEDLO CS[C@H](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114155841 810486959 /nfs/dbraw/zinc/48/69/59/810486959.db2.gz RVHUXDMZMFVEPC-YRINGNFDSA-N 1 2 347.459 2.385 20 30 EEEDLO CS[C@H](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114155841 810486968 /nfs/dbraw/zinc/48/69/68/810486968.db2.gz RVHUXDMZMFVEPC-YRINGNFDSA-N 1 2 347.459 2.385 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@](C)(CC)CCCCC)[C@@H](n2ccnn2)C1 ZINC001129471010 810858695 /nfs/dbraw/zinc/85/86/95/810858695.db2.gz SDECYUPCRLBSPG-AOIWGVFYSA-N 1 2 345.491 2.249 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@](C)(CC)CCCCC)[C@@H](n2ccnn2)C1 ZINC001129471010 810858705 /nfs/dbraw/zinc/85/87/05/810858705.db2.gz SDECYUPCRLBSPG-AOIWGVFYSA-N 1 2 345.491 2.249 20 30 EEEDLO C=CCOc1ccccc1C(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001130374566 811527282 /nfs/dbraw/zinc/52/72/82/811527282.db2.gz WLCINVPXRWTDTD-ZDUSSCGKSA-N 1 2 344.415 2.277 20 30 EEEDLO CCCCCC[C@@H](F)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131110771 812391659 /nfs/dbraw/zinc/39/16/59/812391659.db2.gz YYWCSSSPUKOWNY-BZUAXINKSA-N 1 2 349.454 2.136 20 30 EEEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCCC2CCCC2)CC1 ZINC001131397208 812789666 /nfs/dbraw/zinc/78/96/66/812789666.db2.gz VQCLBMBZYAPMRX-UHFFFAOYSA-N 1 2 335.492 2.183 20 30 EEEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCCC2CCCC2)CC1 ZINC001131397208 812789672 /nfs/dbraw/zinc/78/96/72/812789672.db2.gz VQCLBMBZYAPMRX-UHFFFAOYSA-N 1 2 335.492 2.183 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)O[C@]2(CC[N@H+](Cc3nc(C)c(C)o3)C2)C1 ZINC001131645007 813067835 /nfs/dbraw/zinc/06/78/35/813067835.db2.gz BEFWMXWUEQXSIF-LIRRHRJNSA-N 1 2 347.459 2.449 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)O[C@]2(CC[N@@H+](Cc3nc(C)c(C)o3)C2)C1 ZINC001131645007 813067843 /nfs/dbraw/zinc/06/78/43/813067843.db2.gz BEFWMXWUEQXSIF-LIRRHRJNSA-N 1 2 347.459 2.449 20 30 EEEDLO Cc1noc(C)c1C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001437430171 1089727971 /nfs/dbraw/zinc/72/79/71/1089727971.db2.gz MZEHOHCHTJALIN-UHFFFAOYSA-N 1 2 330.363 2.164 20 30 EEEDLO Cc1noc(C)c1C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001437430171 1089727980 /nfs/dbraw/zinc/72/79/80/1089727980.db2.gz MZEHOHCHTJALIN-UHFFFAOYSA-N 1 2 330.363 2.164 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cscn1 ZINC001437680749 1090215264 /nfs/dbraw/zinc/21/52/64/1090215264.db2.gz LWGAJDHRRKXREU-GFCCVEGCSA-N 1 2 344.278 2.175 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1cscn1 ZINC001437680749 1090215269 /nfs/dbraw/zinc/21/52/69/1090215269.db2.gz LWGAJDHRRKXREU-GFCCVEGCSA-N 1 2 344.278 2.175 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)CCc1c(C)nn(C)c1C)C1CC1 ZINC001437795088 1090381580 /nfs/dbraw/zinc/38/15/80/1090381580.db2.gz CRAYTFAILFNSDW-UHFFFAOYSA-N 1 2 338.883 2.303 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)CCc1c(C)nn(C)c1C)C1CC1 ZINC001437795088 1090381585 /nfs/dbraw/zinc/38/15/85/1090381585.db2.gz CRAYTFAILFNSDW-UHFFFAOYSA-N 1 2 338.883 2.303 20 30 EEEDLO C=C(Cl)C[NH2+]C1(CNC(=O)c2ccc3[nH]nnc3c2)CCCC1 ZINC001438614144 1091103701 /nfs/dbraw/zinc/10/37/01/1091103701.db2.gz UCSVFLJUIVDFCW-UHFFFAOYSA-N 1 2 333.823 2.343 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1cc(C)no1 ZINC001440407535 1093599806 /nfs/dbraw/zinc/59/98/06/1093599806.db2.gz XHJKETOZVWLEKF-UHFFFAOYSA-N 1 2 330.226 2.286 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1cc(C)no1 ZINC001440407535 1093599811 /nfs/dbraw/zinc/59/98/11/1093599811.db2.gz XHJKETOZVWLEKF-UHFFFAOYSA-N 1 2 330.226 2.286 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCOc2cccc(OC)c2)C1 ZINC001441127558 1094452775 /nfs/dbraw/zinc/45/27/75/1094452775.db2.gz CQOCQPFGPFSVGN-CQSZACIVSA-N 1 2 338.835 2.407 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCOc2cccc(OC)c2)C1 ZINC001441127558 1094452776 /nfs/dbraw/zinc/45/27/76/1094452776.db2.gz CQOCQPFGPFSVGN-CQSZACIVSA-N 1 2 338.835 2.407 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1n[nH]c2c1CCCC2 ZINC001442800444 1097181806 /nfs/dbraw/zinc/18/18/06/1097181806.db2.gz ZRONVWRMBNANKG-CYBMUJFWSA-N 1 2 336.867 2.164 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1n[nH]c2c1CCCC2 ZINC001442800444 1097181809 /nfs/dbraw/zinc/18/18/09/1097181809.db2.gz ZRONVWRMBNANKG-CYBMUJFWSA-N 1 2 336.867 2.164 20 30 EEEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)c1cc(F)c[nH]1)C1CC1 ZINC001443036431 1097445411 /nfs/dbraw/zinc/44/54/11/1097445411.db2.gz UAUVPGZCOIOWTB-UHFFFAOYSA-N 1 2 326.375 2.420 20 30 EEEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)c1cc(F)c[nH]1)C1CC1 ZINC001443036431 1097445412 /nfs/dbraw/zinc/44/54/12/1097445412.db2.gz UAUVPGZCOIOWTB-UHFFFAOYSA-N 1 2 326.375 2.420 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc3occc(=O)c3c2)C1 ZINC001520343813 1119148285 /nfs/dbraw/zinc/14/82/85/1119148285.db2.gz MOEPKUJDKJAVBJ-CQSZACIVSA-N 1 2 325.368 2.012 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc3occc(=O)c3c2)C1 ZINC001520343813 1119148288 /nfs/dbraw/zinc/14/82/88/1119148288.db2.gz MOEPKUJDKJAVBJ-CQSZACIVSA-N 1 2 325.368 2.012 20 30 EEEDLO C=CCNc1ncc(C(=O)N2CCC(c3c[nH+]cn3C)CC2)s1 ZINC001520993091 1119206757 /nfs/dbraw/zinc/20/67/57/1119206757.db2.gz YEHJCTSKGGMWKS-UHFFFAOYSA-N 1 2 331.445 2.494 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC001567894198 1124162023 /nfs/dbraw/zinc/16/20/23/1124162023.db2.gz UYJIAYAKLUVUHI-NVXWUHKLSA-N 1 2 341.455 2.195 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC001567894198 1124162032 /nfs/dbraw/zinc/16/20/32/1124162032.db2.gz UYJIAYAKLUVUHI-NVXWUHKLSA-N 1 2 341.455 2.195 20 30 EEEDLO CCC(CC)[C@@H](CNC(=O)c1sccc1C#N)[NH+]1CCOCC1 ZINC000052034804 214113613 /nfs/dbraw/zinc/11/36/13/214113613.db2.gz KNPJYVBEQYDDTA-OAHLLOKOSA-N 1 2 335.473 2.487 20 30 EEEDLO CCC[N@H+](CC(=O)NC)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000056508333 214377423 /nfs/dbraw/zinc/37/74/23/214377423.db2.gz ZYPBTVLSCKUTFX-UHFFFAOYSA-N 1 2 344.459 2.008 20 30 EEEDLO CCC[N@@H+](CC(=O)NC)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000056508333 214377425 /nfs/dbraw/zinc/37/74/25/214377425.db2.gz ZYPBTVLSCKUTFX-UHFFFAOYSA-N 1 2 344.459 2.008 20 30 EEEDLO C=CCOc1cccc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000056551134 214379527 /nfs/dbraw/zinc/37/95/27/214379527.db2.gz WEWLZRUERCGERY-UHFFFAOYSA-N 1 2 333.432 2.484 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2nccn2C)[C@@H]1CC ZINC001087602950 781923741 /nfs/dbraw/zinc/92/37/41/781923741.db2.gz PIKWWZAVRXWPNL-JKSUJKDBSA-N 1 2 341.459 2.191 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2nccn2C)[C@@H]1CC ZINC001087602950 781923750 /nfs/dbraw/zinc/92/37/50/781923750.db2.gz PIKWWZAVRXWPNL-JKSUJKDBSA-N 1 2 341.459 2.191 20 30 EEEDLO CC(C)c1nnc2n1C[C@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)CC2 ZINC000328992417 539765699 /nfs/dbraw/zinc/76/56/99/539765699.db2.gz STDAACGTQJOWOM-QWHCGFSZSA-N 1 2 328.420 2.132 20 30 EEEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@@H]3C[C@@H]3C3CCCCC3)CC2)cn1 ZINC000329808728 539784079 /nfs/dbraw/zinc/78/40/79/539784079.db2.gz PNCVFLDTTJVOJS-QZTJIDSGSA-N 1 2 345.491 2.421 20 30 EEEDLO C[C@H](NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)c1ccccn1 ZINC000330321049 539791975 /nfs/dbraw/zinc/79/19/75/539791975.db2.gz FRFPPGNAWZRCIT-ZENOOKHLSA-N 1 2 329.404 2.300 20 30 EEEDLO C[C@@H](NC(=O)c1ccns1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969772296 675199227 /nfs/dbraw/zinc/19/92/27/675199227.db2.gz IDZPEUCIZHYJJM-LLVKDONJSA-N 1 2 344.415 2.404 20 30 EEEDLO N#Cc1c(Br)cccc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000357483199 283072256 /nfs/dbraw/zinc/07/22/56/283072256.db2.gz IYWONHQRYDUEKQ-UHFFFAOYSA-N 1 2 346.232 2.366 20 30 EEEDLO N#CCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000092936264 237040798 /nfs/dbraw/zinc/04/07/98/237040798.db2.gz YBRPADUOMDBSGM-UHFFFAOYSA-N 1 2 326.356 2.496 20 30 EEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000438841085 242054111 /nfs/dbraw/zinc/05/41/11/242054111.db2.gz ONDSRJUFORGZTK-WBVHZDCISA-N 1 2 330.432 2.051 20 30 EEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000438841085 242054113 /nfs/dbraw/zinc/05/41/13/242054113.db2.gz ONDSRJUFORGZTK-WBVHZDCISA-N 1 2 330.432 2.051 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000448566479 242413726 /nfs/dbraw/zinc/41/37/26/242413726.db2.gz SDTUMDAQJLYCKP-APTSRADASA-N 1 2 326.440 2.435 20 30 EEEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451364437 243091029 /nfs/dbraw/zinc/09/10/29/243091029.db2.gz WBJHPTJCPBDULM-RYUDHWBXSA-N 1 2 341.864 2.119 20 30 EEEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451364437 243091032 /nfs/dbraw/zinc/09/10/32/243091032.db2.gz WBJHPTJCPBDULM-RYUDHWBXSA-N 1 2 341.864 2.119 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000456764773 244351832 /nfs/dbraw/zinc/35/18/32/244351832.db2.gz FUFOSTBUOHNKDU-IAGOWNOFSA-N 1 2 334.485 2.220 20 30 EEEDLO Cc1cc(C#N)cc(NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)c1 ZINC000459615254 245189008 /nfs/dbraw/zinc/18/90/08/245189008.db2.gz VZORZWXJVUXXBL-HNNXBMFYSA-N 1 2 341.415 2.482 20 30 EEEDLO Cc1ccc(S(=O)(=O)NC2C[NH+](CC(C)(C)CCC#N)C2)cc1 ZINC000459636850 245194534 /nfs/dbraw/zinc/19/45/34/245194534.db2.gz RHRRCXLANKAUJN-UHFFFAOYSA-N 1 2 335.473 2.288 20 30 EEEDLO COCC[N@H+](CC(=O)N(C)c1nccs1)Cc1ccc(C#N)cc1 ZINC000111208799 220110981 /nfs/dbraw/zinc/11/09/81/220110981.db2.gz QGPSDOQCZNCLSU-UHFFFAOYSA-N 1 2 344.440 2.126 20 30 EEEDLO COCC[N@@H+](CC(=O)N(C)c1nccs1)Cc1ccc(C#N)cc1 ZINC000111208799 220110982 /nfs/dbraw/zinc/11/09/82/220110982.db2.gz QGPSDOQCZNCLSU-UHFFFAOYSA-N 1 2 344.440 2.126 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C\C3CCOCC3)CC2)cc1 ZINC000491882903 246195911 /nfs/dbraw/zinc/19/59/11/246195911.db2.gz KXIRFFIHEPDADZ-WAYWQWQTSA-N 1 2 339.439 2.185 20 30 EEEDLO C#CCOc1cc(F)ccc1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000266439012 248301508 /nfs/dbraw/zinc/30/15/08/248301508.db2.gz WZHVTQGVLXYZBQ-ZIAGYGMSSA-N 1 2 349.406 2.068 20 30 EEEDLO N#Cc1ccc(OC2CCC(NC(=O)CCn3cc[nH+]c3)CC2)nc1 ZINC000271137910 256211575 /nfs/dbraw/zinc/21/15/75/256211575.db2.gz SPVZEAIWTYJIKJ-UHFFFAOYSA-N 1 2 339.399 2.046 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](C[C@H](O)c3c(F)cccc3F)CC2)c1 ZINC000051877501 132182658 /nfs/dbraw/zinc/18/26/58/132182658.db2.gz USAUGZNYZLPKLL-INIZCTEOSA-N 1 2 344.365 2.087 20 30 EEEDLO Cc1cnc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000355838446 153162024 /nfs/dbraw/zinc/16/20/24/153162024.db2.gz VQXAEBAHBVVYAG-UHFFFAOYSA-N 1 2 325.372 2.204 20 30 EEEDLO Cc1ccc2c(c1)nc(C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)n2C ZINC000345737796 161327316 /nfs/dbraw/zinc/32/73/16/161327316.db2.gz LDXMXIGSWAWCDG-SFHVURJKSA-N 1 2 333.395 2.070 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccn(C(F)F)n3)C2=O)cc1 ZINC000355764643 163294667 /nfs/dbraw/zinc/29/46/67/163294667.db2.gz HRNHKNDZIWESBG-OAHLLOKOSA-N 1 2 345.353 2.435 20 30 EEEDLO C[N@H+](Cc1ccc(Br)cc1C#N)[C@H]1CCCCNC1=O ZINC000367847705 166010037 /nfs/dbraw/zinc/01/00/37/166010037.db2.gz IVAWLVJHJGKRKL-AWEZNQCLSA-N 1 2 336.233 2.421 20 30 EEEDLO C[N@@H+](Cc1ccc(Br)cc1C#N)[C@H]1CCCCNC1=O ZINC000367847705 166010039 /nfs/dbraw/zinc/01/00/39/166010039.db2.gz IVAWLVJHJGKRKL-AWEZNQCLSA-N 1 2 336.233 2.421 20 30 EEEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439431114 270020322 /nfs/dbraw/zinc/02/03/22/270020322.db2.gz LQIFQCMSBLXZCD-AWEZNQCLSA-N 1 2 348.878 2.244 20 30 EEEDLO N#Cc1cccc(CS(=O)(=O)Cc2[nH+]ccn2CC(F)(F)F)c1 ZINC000437246586 270020367 /nfs/dbraw/zinc/02/03/67/270020367.db2.gz NUDMOXHLEMSHKF-UHFFFAOYSA-N 1 2 343.330 2.432 20 30 EEEDLO CCC[NH+]1CCC(N(C)C(=O)c2cc(C#N)c(SC)[nH]c2=O)CC1 ZINC000330750356 266052848 /nfs/dbraw/zinc/05/28/48/266052848.db2.gz UVNVESREQGGKTH-UHFFFAOYSA-N 1 2 348.472 2.327 20 30 EEEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000292542341 267021819 /nfs/dbraw/zinc/02/18/19/267021819.db2.gz JOSKCKPRFYQDPF-MLGOLLRUSA-N 1 2 348.403 2.166 20 30 EEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000279447438 268088207 /nfs/dbraw/zinc/08/82/07/268088207.db2.gz FSLGUNSTEXHDBD-QGZVFWFLSA-N 1 2 333.395 2.301 20 30 EEEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cnns3)CC2)c1 ZINC000295637186 268264802 /nfs/dbraw/zinc/26/48/02/268264802.db2.gz DBCOJPARQHDZKO-UHFFFAOYSA-N 1 2 327.413 2.260 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280650357 269381419 /nfs/dbraw/zinc/38/14/19/269381419.db2.gz ZBTDUEOUUYMQEC-KUHUBIRLSA-N 1 2 343.427 2.155 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280650357 269381421 /nfs/dbraw/zinc/38/14/21/269381421.db2.gz ZBTDUEOUUYMQEC-KUHUBIRLSA-N 1 2 343.427 2.155 20 30 EEEDLO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc(F)ccc1C#N ZINC000158935604 311334077 /nfs/dbraw/zinc/33/40/77/311334077.db2.gz ALZDDTMFRRJLDQ-UHFFFAOYSA-N 1 2 337.354 2.425 20 30 EEEDLO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc(F)ccc1C#N ZINC000158935604 311334078 /nfs/dbraw/zinc/33/40/78/311334078.db2.gz ALZDDTMFRRJLDQ-UHFFFAOYSA-N 1 2 337.354 2.425 20 30 EEEDLO N#Cc1ccccc1OCc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000351028041 312359825 /nfs/dbraw/zinc/35/98/25/312359825.db2.gz SVUUBQBNACKOTI-GDBMZVCRSA-N 1 2 340.383 2.446 20 30 EEEDLO N#Cc1ccccc1OCc1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000351028041 312359826 /nfs/dbraw/zinc/35/98/26/312359826.db2.gz SVUUBQBNACKOTI-GDBMZVCRSA-N 1 2 340.383 2.446 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1C#N ZINC000567335484 319370139 /nfs/dbraw/zinc/37/01/39/319370139.db2.gz TUPOQZGSKWYTHN-CQSZACIVSA-N 1 2 344.411 2.115 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1C#N ZINC000567335484 319370141 /nfs/dbraw/zinc/37/01/41/319370141.db2.gz TUPOQZGSKWYTHN-CQSZACIVSA-N 1 2 344.411 2.115 20 30 EEEDLO COC(=O)[C@](C)([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000569208470 319555199 /nfs/dbraw/zinc/55/51/99/319555199.db2.gz KLJPBHWEJUNSBN-QGZVFWFLSA-N 1 2 349.818 2.472 20 30 EEEDLO COc1cc(CNC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)ccc1C#N ZINC000583117162 324594594 /nfs/dbraw/zinc/59/45/94/324594594.db2.gz WTXYDGJJESPWRK-INIZCTEOSA-N 1 2 339.399 2.251 20 30 EEEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3ccc(C#N)cc3F)cn2c1 ZINC000583901184 324755063 /nfs/dbraw/zinc/75/50/63/324755063.db2.gz QCNCSBICBARJMJ-UHFFFAOYSA-N 1 2 344.371 2.132 20 30 EEEDLO CC(C)c1nnc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000328836396 465142382 /nfs/dbraw/zinc/14/23/82/465142382.db2.gz XMGYKMXJYXYDEW-GFCCVEGCSA-N 1 2 346.460 2.339 20 30 EEEDLO CC(=O)Nc1cccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)c1 ZINC000328935478 465173866 /nfs/dbraw/zinc/17/38/66/465173866.db2.gz CJOGVEKLFZHIJB-CABCVRRESA-N 1 2 345.403 2.185 20 30 EEEDLO CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)c1 ZINC000328935478 465173871 /nfs/dbraw/zinc/17/38/71/465173871.db2.gz CJOGVEKLFZHIJB-CABCVRRESA-N 1 2 345.403 2.185 20 30 EEEDLO CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)CC2 ZINC000328944091 465176204 /nfs/dbraw/zinc/17/62/04/465176204.db2.gz LSWUFUCXKUXVPF-QWHCGFSZSA-N 1 2 328.420 2.132 20 30 EEEDLO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000329007418 465201558 /nfs/dbraw/zinc/20/15/58/465201558.db2.gz YHNWKKYHDLCRQM-JCHJZTRSSA-N 1 2 344.459 2.425 20 30 EEEDLO Cn1nccc1[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000329007418 465201560 /nfs/dbraw/zinc/20/15/60/465201560.db2.gz YHNWKKYHDLCRQM-JCHJZTRSSA-N 1 2 344.459 2.425 20 30 EEEDLO CCCn1cc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1 ZINC000355197109 465233146 /nfs/dbraw/zinc/23/31/46/465233146.db2.gz KXOHVECLMTUILC-KXBFYZLASA-N 1 2 335.411 2.139 20 30 EEEDLO CCCn1cc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1 ZINC000355197109 465233152 /nfs/dbraw/zinc/23/31/52/465233152.db2.gz KXOHVECLMTUILC-KXBFYZLASA-N 1 2 335.411 2.139 20 30 EEEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000297700953 465266745 /nfs/dbraw/zinc/26/67/45/465266745.db2.gz AHNXJDIZSRYHTO-GOSISDBHSA-N 1 2 335.411 2.085 20 30 EEEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000297700953 465266750 /nfs/dbraw/zinc/26/67/50/465266750.db2.gz AHNXJDIZSRYHTO-GOSISDBHSA-N 1 2 335.411 2.085 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cccc(C#N)c1)C(C)(C)CO ZINC000297789771 465270681 /nfs/dbraw/zinc/27/06/81/465270681.db2.gz NDHTVKUDIRHGBI-AWEZNQCLSA-N 1 2 327.388 2.173 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000337277858 465281094 /nfs/dbraw/zinc/28/10/94/465281094.db2.gz RZUDBXHYQJULSW-AWEZNQCLSA-N 1 2 326.799 2.303 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000578967572 468286657 /nfs/dbraw/zinc/28/66/57/468286657.db2.gz PGHWMZRLKMPVLY-OWCLPIDISA-N 1 2 344.390 2.291 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NC2CC(C(F)(F)F)C2)CCO1 ZINC000329695344 465409697 /nfs/dbraw/zinc/40/96/97/465409697.db2.gz CZTVHNUIZDYVJI-JJGGINFWSA-N 1 2 346.353 2.485 20 30 EEEDLO N#Cc1ccc(NC(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000045032038 462553324 /nfs/dbraw/zinc/55/33/24/462553324.db2.gz GOIVXLZSGOVOPW-UHFFFAOYSA-N 1 2 337.383 2.112 20 30 EEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000062474580 462617609 /nfs/dbraw/zinc/61/76/09/462617609.db2.gz RECRNQUYGNVSJG-UHFFFAOYSA-N 1 2 347.434 2.081 20 30 EEEDLO Cn1cccc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000130046630 462737657 /nfs/dbraw/zinc/73/76/57/462737657.db2.gz ROMOZNBUGVQJET-UHFFFAOYSA-N 1 2 337.383 2.467 20 30 EEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(C#N)s2)CC1 ZINC000133746855 462966634 /nfs/dbraw/zinc/96/66/34/462966634.db2.gz OMENALFRKMPDEM-HNNXBMFYSA-N 1 2 346.500 2.138 20 30 EEEDLO C[C@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000133746855 462966640 /nfs/dbraw/zinc/96/66/40/462966640.db2.gz OMENALFRKMPDEM-HNNXBMFYSA-N 1 2 346.500 2.138 20 30 EEEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000133780533 462969764 /nfs/dbraw/zinc/96/97/64/462969764.db2.gz GKRGXRHFSSFVAQ-KPFFTGBYSA-N 1 2 341.455 2.476 20 30 EEEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000133780533 462969767 /nfs/dbraw/zinc/96/97/67/462969767.db2.gz GKRGXRHFSSFVAQ-KPFFTGBYSA-N 1 2 341.455 2.476 20 30 EEEDLO COc1cc(C#N)ccc1OCCCC(=O)N(C)Cc1[nH+]ccn1C ZINC000049603078 462971202 /nfs/dbraw/zinc/97/12/02/462971202.db2.gz OGNRBXPOSCJAHU-UHFFFAOYSA-N 1 2 342.399 2.118 20 30 EEEDLO C[C@@H]1CCCC[C@H]1NC(=O)CO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000067386184 462999520 /nfs/dbraw/zinc/99/95/20/462999520.db2.gz MQPJSMCJRAZOHZ-QMTHXVAHSA-N 1 2 325.359 2.297 20 30 EEEDLO CC(C)N(C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000023257749 463063525 /nfs/dbraw/zinc/06/35/25/463063525.db2.gz XHOGOFDMGZLSQK-UHFFFAOYSA-N 1 2 342.487 2.321 20 30 EEEDLO CC(C)N(C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000023257749 463063528 /nfs/dbraw/zinc/06/35/28/463063528.db2.gz XHOGOFDMGZLSQK-UHFFFAOYSA-N 1 2 342.487 2.321 20 30 EEEDLO N#CCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000078098374 463084064 /nfs/dbraw/zinc/08/40/64/463084064.db2.gz HPHANTPCJNYHBU-IBGZPJMESA-N 1 2 335.407 2.444 20 30 EEEDLO N#CCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000078098374 463084068 /nfs/dbraw/zinc/08/40/68/463084068.db2.gz HPHANTPCJNYHBU-IBGZPJMESA-N 1 2 335.407 2.444 20 30 EEEDLO CCOC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000025509280 463128038 /nfs/dbraw/zinc/12/80/38/463128038.db2.gz GZMWUJJNTUKZEO-GFCCVEGCSA-N 1 2 347.415 2.370 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)CC1 ZINC000078878299 463159119 /nfs/dbraw/zinc/15/91/19/463159119.db2.gz ZYGOKJOHMVOSDR-UHFFFAOYSA-N 1 2 341.455 2.371 20 30 EEEDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)CCCCC#N)CC2)c1 ZINC000068872991 463184329 /nfs/dbraw/zinc/18/43/29/463184329.db2.gz ABMNAABCCASXTM-UHFFFAOYSA-N 1 2 335.473 2.136 20 30 EEEDLO CN(C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2)C1CCCCC1 ZINC000158165140 463211373 /nfs/dbraw/zinc/21/13/73/463211373.db2.gz DOJAULNFLUXIMA-UHFFFAOYSA-N 1 2 331.416 2.050 20 30 EEEDLO C[C@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)C(=O)N1CCCCCC1 ZINC000158223567 463217230 /nfs/dbraw/zinc/21/72/30/463217230.db2.gz WUUCFPMCXIAUJG-ZDUSSCGKSA-N 1 2 331.416 2.050 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000054292480 463224905 /nfs/dbraw/zinc/22/49/05/463224905.db2.gz FXFKSBXQOGPJEJ-MRXNPFEDSA-N 1 2 335.492 2.182 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000029156845 463243666 /nfs/dbraw/zinc/24/36/66/463243666.db2.gz CCGIDXZBDBDWIU-YJBOKZPZSA-N 1 2 348.516 2.309 20 30 EEEDLO C=CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000029318954 463252599 /nfs/dbraw/zinc/25/25/99/463252599.db2.gz YTXPPCPVTNGWQY-OAHLLOKOSA-N 1 2 330.388 2.012 20 30 EEEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccc(C)cc3)[nH]c2=S)CC1 ZINC000029436483 463257757 /nfs/dbraw/zinc/25/77/57/463257757.db2.gz SCVUMSJNXXVVKG-UHFFFAOYSA-N 1 2 327.457 2.124 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000122934725 463302395 /nfs/dbraw/zinc/30/23/95/463302395.db2.gz ZSDKZPCKPWODJK-CQSZACIVSA-N 1 2 334.851 2.223 20 30 EEEDLO N#Cc1ccc(CC(=O)N2CCC[N@H+](Cc3cscn3)CC2)cc1 ZINC000069919016 463350838 /nfs/dbraw/zinc/35/08/38/463350838.db2.gz MOICSJQREFRRNB-UHFFFAOYSA-N 1 2 340.452 2.292 20 30 EEEDLO N#Cc1ccc(CC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)cc1 ZINC000069919016 463350841 /nfs/dbraw/zinc/35/08/41/463350841.db2.gz MOICSJQREFRRNB-UHFFFAOYSA-N 1 2 340.452 2.292 20 30 EEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)c2ccccc2C1 ZINC000151155071 463485281 /nfs/dbraw/zinc/48/52/81/463485281.db2.gz RLDJNYUQQSNKCX-UHFFFAOYSA-N 1 2 345.399 2.338 20 30 EEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)c2ccccc2C1 ZINC000151155071 463485287 /nfs/dbraw/zinc/48/52/87/463485287.db2.gz RLDJNYUQQSNKCX-UHFFFAOYSA-N 1 2 345.399 2.338 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N(C)[C@@H]2CCCC[C@H]2C)cs1 ZINC000151274644 463504212 /nfs/dbraw/zinc/50/42/12/463504212.db2.gz ZIJXBAVMKFBBSG-BXUZGUMPSA-N 1 2 338.477 2.320 20 30 EEEDLO C#CCCCCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000177467797 463712853 /nfs/dbraw/zinc/71/28/53/463712853.db2.gz MOGLCOMQIRZWRY-SFHVURJKSA-N 1 2 329.444 2.163 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000287006413 463769238 /nfs/dbraw/zinc/76/92/38/463769238.db2.gz RDWCMHWAFIQBSZ-RHSMWYFYSA-N 1 2 340.464 2.448 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@](F)(CO)C1 ZINC000287006413 463769244 /nfs/dbraw/zinc/76/92/44/463769244.db2.gz RDWCMHWAFIQBSZ-RHSMWYFYSA-N 1 2 340.464 2.448 20 30 EEEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268658845 463787836 /nfs/dbraw/zinc/78/78/36/463787836.db2.gz LQNOBVPOUWNNQW-OALUTQOASA-N 1 2 336.391 2.192 20 30 EEEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268658845 463787839 /nfs/dbraw/zinc/78/78/39/463787839.db2.gz LQNOBVPOUWNNQW-OALUTQOASA-N 1 2 336.391 2.192 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000185491801 463831695 /nfs/dbraw/zinc/83/16/95/463831695.db2.gz LLFFTARLFXPERK-LSDHHAIUSA-N 1 2 334.489 2.187 20 30 EEEDLO CCOCCCNC(=O)[C@@H](C)O[NH+]=C(N)Cc1ccccc1Cl ZINC000178148486 463853372 /nfs/dbraw/zinc/85/33/72/463853372.db2.gz SEIZQMQFICXHER-GFCCVEGCSA-N 1 2 341.839 2.103 20 30 EEEDLO C=CCSCCNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000178467160 463906384 /nfs/dbraw/zinc/90/63/84/463906384.db2.gz DOWRIYOFNYSAGY-UHFFFAOYSA-N 1 2 336.461 2.267 20 30 EEEDLO C=CCOc1ccccc1CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000277580666 463921795 /nfs/dbraw/zinc/92/17/95/463921795.db2.gz SLFXPILCAYUUQB-UHFFFAOYSA-N 1 2 326.400 2.490 20 30 EEEDLO C=CCOc1ccccc1CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000277580666 463921801 /nfs/dbraw/zinc/92/18/01/463921801.db2.gz SLFXPILCAYUUQB-UHFFFAOYSA-N 1 2 326.400 2.490 20 30 EEEDLO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000278333026 463963565 /nfs/dbraw/zinc/96/35/65/463963565.db2.gz OOSVJLMLMHUNAK-GUYCJALGSA-N 1 2 338.835 2.057 20 30 EEEDLO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000278333026 463963572 /nfs/dbraw/zinc/96/35/72/463963572.db2.gz OOSVJLMLMHUNAK-GUYCJALGSA-N 1 2 338.835 2.057 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186681144 464047902 /nfs/dbraw/zinc/04/79/02/464047902.db2.gz XWRNYJJNIPISBV-RTBURBONSA-N 1 2 327.428 2.172 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186681144 464047909 /nfs/dbraw/zinc/04/79/09/464047909.db2.gz XWRNYJJNIPISBV-RTBURBONSA-N 1 2 327.428 2.172 20 30 EEEDLO C[C@@H](NC(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1ccc2c(c1)CCCC2 ZINC000284089339 464087253 /nfs/dbraw/zinc/08/72/53/464087253.db2.gz KVHUCZARXXPGLF-CXAGYDPISA-N 1 2 345.443 2.210 20 30 EEEDLO Cn1c[nH+]cc1CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000290769986 464132009 /nfs/dbraw/zinc/13/20/09/464132009.db2.gz QWCLTHJYMGROHH-UHFFFAOYSA-N 1 2 336.317 2.290 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000292291662 464187121 /nfs/dbraw/zinc/18/71/21/464187121.db2.gz MFSXSAQTJMRGDF-HNAYVOBHSA-N 1 2 346.450 2.391 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000292291662 464187128 /nfs/dbraw/zinc/18/71/28/464187128.db2.gz MFSXSAQTJMRGDF-HNAYVOBHSA-N 1 2 346.450 2.391 20 30 EEEDLO CCN(CC)c1ccc(CNC(=O)Nc2ccn(CCC#N)n2)c[nH+]1 ZINC000173341150 464243427 /nfs/dbraw/zinc/24/34/27/464243427.db2.gz DCOIJORGROIWFQ-UHFFFAOYSA-N 1 2 341.419 2.360 20 30 EEEDLO CN(C)c1ccc(CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c[nH+]1 ZINC000280784439 464252503 /nfs/dbraw/zinc/25/25/03/464252503.db2.gz KMAJMZRWFSLSQU-QGZVFWFLSA-N 1 2 333.395 2.018 20 30 EEEDLO COc1ccc(Br)cc1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284605882 464260391 /nfs/dbraw/zinc/26/03/91/464260391.db2.gz YRMQTFMFCYZHCM-LBPRGKRZSA-N 1 2 329.194 2.426 20 30 EEEDLO C=CCN(C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1)C1CC1 ZINC000271394617 464297757 /nfs/dbraw/zinc/29/77/57/464297757.db2.gz KKIFXVOUTAHMRT-CQSZACIVSA-N 1 2 330.432 2.167 20 30 EEEDLO O=[N+]([O-])c1ccc(O)c(/C=N/CC2([NH+]3CCCC3)CCOCC2)c1 ZINC000264422005 464319778 /nfs/dbraw/zinc/31/97/78/464319778.db2.gz OJNFNXQLMZYUBM-LDADJPATSA-N 1 2 333.388 2.364 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000281238280 464382366 /nfs/dbraw/zinc/38/23/66/464382366.db2.gz FJCSCFCHZYDVCF-SJLPKXTDSA-N 1 2 344.459 2.462 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccccc1I ZINC000293280445 464397191 /nfs/dbraw/zinc/39/71/91/464397191.db2.gz VKSRECIGAAKVSK-UHFFFAOYSA-N 1 2 342.180 2.185 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccccc1I ZINC000293280445 464397198 /nfs/dbraw/zinc/39/71/98/464397198.db2.gz VKSRECIGAAKVSK-UHFFFAOYSA-N 1 2 342.180 2.185 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000264896600 464502420 /nfs/dbraw/zinc/50/24/20/464502420.db2.gz WJHUQVUIKZEJTO-OAHLLOKOSA-N 1 2 344.434 2.289 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000189500512 464520203 /nfs/dbraw/zinc/52/02/03/464520203.db2.gz QJNROQSOJLWMKA-GOSISDBHSA-N 1 2 333.432 2.394 20 30 EEEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000175389586 464537125 /nfs/dbraw/zinc/53/71/25/464537125.db2.gz UVHFDKXVYGXNFJ-ICBNKOFZSA-N 1 2 347.484 2.225 20 30 EEEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000175389586 464537130 /nfs/dbraw/zinc/53/71/30/464537130.db2.gz UVHFDKXVYGXNFJ-ICBNKOFZSA-N 1 2 347.484 2.225 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](CCC)CC(=O)Nc2ccccc2C)C1=O ZINC000281880726 464620597 /nfs/dbraw/zinc/62/05/97/464620597.db2.gz DALMNCQJCVKFAV-QGZVFWFLSA-N 1 2 329.444 2.432 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](CCC)CC(=O)Nc2ccccc2C)C1=O ZINC000281880726 464620602 /nfs/dbraw/zinc/62/06/02/464620602.db2.gz DALMNCQJCVKFAV-QGZVFWFLSA-N 1 2 329.444 2.432 20 30 EEEDLO COc1cc[nH+]c(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 ZINC000285599291 464624201 /nfs/dbraw/zinc/62/42/01/464624201.db2.gz VDHQNSPZXGWVHB-CQSZACIVSA-N 1 2 332.404 2.035 20 30 EEEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000272504180 464636521 /nfs/dbraw/zinc/63/65/21/464636521.db2.gz DZRWDPYZHPMBBA-UHFFFAOYSA-N 1 2 337.221 2.408 20 30 EEEDLO CC[C@@H]1C[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000272573871 464664240 /nfs/dbraw/zinc/66/42/40/464664240.db2.gz JZYLIFAEZBAZJI-RTBURBONSA-N 1 2 341.455 2.408 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176420785 464770484 /nfs/dbraw/zinc/77/04/84/464770484.db2.gz PFPCJDUOENFYGE-UHFFFAOYSA-N 1 2 330.413 2.124 20 30 EEEDLO COc1ccc(C[NH2+][C@H](C)c2ncn(C)n2)cc1OCCCC#N ZINC000275786632 464789537 /nfs/dbraw/zinc/78/95/37/464789537.db2.gz ISFHSLYRXUMIBK-CYBMUJFWSA-N 1 2 329.404 2.357 20 30 EEEDLO N#CCCCOc1cccnc1NC(=O)NCCNc1cccc[nH+]1 ZINC000276118408 464814890 /nfs/dbraw/zinc/81/48/90/464814890.db2.gz WFDICJYVFVHBRM-UHFFFAOYSA-N 1 2 340.387 2.393 20 30 EEEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c(C#N)c1C ZINC000177104616 464930568 /nfs/dbraw/zinc/93/05/68/464930568.db2.gz XCMMHVLBBRPMCH-CYBMUJFWSA-N 1 2 348.472 2.153 20 30 EEEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](CCC(N)=O)C2)c(C#N)c1C ZINC000177104616 464930573 /nfs/dbraw/zinc/93/05/73/464930573.db2.gz XCMMHVLBBRPMCH-CYBMUJFWSA-N 1 2 348.472 2.153 20 30 EEEDLO C[C@H](C(=O)N[C@H](C#N)C(C)(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000267558500 464936143 /nfs/dbraw/zinc/93/61/43/464936143.db2.gz ZRXFIQSCYIQXLG-RHSMWYFYSA-N 1 2 346.450 2.391 20 30 EEEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000286731832 465017189 /nfs/dbraw/zinc/01/71/89/465017189.db2.gz FAXNWLNSJNFARO-UHFFFAOYSA-N 1 2 336.233 2.408 20 30 EEEDLO O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000329399257 465322044 /nfs/dbraw/zinc/32/20/44/465322044.db2.gz VMAGELOTABQQKR-GJZGRUSLSA-N 1 2 345.447 2.082 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@H]1C[C@@H]1c1ccccc1 ZINC000342547701 465328890 /nfs/dbraw/zinc/32/88/90/465328890.db2.gz KUBMPAZHVVLTOK-RTBURBONSA-N 1 2 341.455 2.255 20 30 EEEDLO CC(C)Oc1cc(F)ccc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329434404 465331752 /nfs/dbraw/zinc/33/17/52/465331752.db2.gz LCVGPWFREUORQN-ZBFHGGJFSA-N 1 2 337.395 2.173 20 30 EEEDLO CC(C)Oc1cc(F)ccc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329434404 465331758 /nfs/dbraw/zinc/33/17/58/465331758.db2.gz LCVGPWFREUORQN-ZBFHGGJFSA-N 1 2 337.395 2.173 20 30 EEEDLO COCC1(C#N)CCN(C(=O)NCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000351786113 465360601 /nfs/dbraw/zinc/36/06/01/465360601.db2.gz PDVGYYQTLTUAQV-UHFFFAOYSA-N 1 2 341.415 2.105 20 30 EEEDLO Cc1oc2ccccc2c1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329817562 465441973 /nfs/dbraw/zinc/44/19/73/465441973.db2.gz WTHHZAHQRNVUMY-WBVHZDCISA-N 1 2 329.400 2.170 20 30 EEEDLO Cc1oc2ccccc2c1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329817562 465441976 /nfs/dbraw/zinc/44/19/76/465441976.db2.gz WTHHZAHQRNVUMY-WBVHZDCISA-N 1 2 329.400 2.170 20 30 EEEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1CCCc2n[nH]cc21 ZINC000329831652 465446866 /nfs/dbraw/zinc/44/68/66/465446866.db2.gz KPGWCUACEHLBSE-AWEZNQCLSA-N 1 2 341.415 2.218 20 30 EEEDLO COc1ccc2c(c1)[C@@H](NC(=O)N1CCn3cc[nH+]c3C1)CCO2 ZINC000329833009 465448048 /nfs/dbraw/zinc/44/80/48/465448048.db2.gz GFHUMPXTCPRRLU-AWEZNQCLSA-N 1 2 328.372 2.145 20 30 EEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)C1(C)COC1 ZINC000329932908 465478270 /nfs/dbraw/zinc/47/82/70/465478270.db2.gz IYSGQHUJRXDUHJ-STQMWFEESA-N 1 2 325.384 2.197 20 30 EEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)C1(C)COC1 ZINC000329932908 465478275 /nfs/dbraw/zinc/47/82/75/465478275.db2.gz IYSGQHUJRXDUHJ-STQMWFEESA-N 1 2 325.384 2.197 20 30 EEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccccc3OC(F)(F)F)C[C@@H]21 ZINC000329959950 465487986 /nfs/dbraw/zinc/48/79/86/465487986.db2.gz NPULVDWCVZMFCU-AAEUAGOBSA-N 1 2 345.321 2.146 20 30 EEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccccc3OC(F)(F)F)C[C@@H]21 ZINC000329959950 465487993 /nfs/dbraw/zinc/48/79/93/465487993.db2.gz NPULVDWCVZMFCU-AAEUAGOBSA-N 1 2 345.321 2.146 20 30 EEEDLO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)[C@H]1COCCO1 ZINC000329980293 465495420 /nfs/dbraw/zinc/49/54/20/465495420.db2.gz LBENHGAHBJYMLT-SGMGOOAPSA-N 1 2 328.409 2.032 20 30 EEEDLO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)[C@H]1COCCO1 ZINC000329980293 465495427 /nfs/dbraw/zinc/49/54/27/465495427.db2.gz LBENHGAHBJYMLT-SGMGOOAPSA-N 1 2 328.409 2.032 20 30 EEEDLO N#CCc1ccc(C[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)cc1 ZINC000343413767 465514061 /nfs/dbraw/zinc/51/40/61/465514061.db2.gz GSDATDQXWFOWQA-UHFFFAOYSA-N 1 2 335.407 2.416 20 30 EEEDLO C=CCc1cc(C[N@H+]2CC[C@H](OC)C[C@@H]2C(=O)OC)cc(OC)c1O ZINC000360002018 465518311 /nfs/dbraw/zinc/51/83/11/465518311.db2.gz XFSIRPSQXUYADL-JKSUJKDBSA-N 1 2 349.427 2.282 20 30 EEEDLO C=CCc1cc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C(=O)OC)cc(OC)c1O ZINC000360002018 465518315 /nfs/dbraw/zinc/51/83/15/465518315.db2.gz XFSIRPSQXUYADL-JKSUJKDBSA-N 1 2 349.427 2.282 20 30 EEEDLO CS(=O)(=O)c1ccc(OCCC[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352458537 465529696 /nfs/dbraw/zinc/52/96/96/465529696.db2.gz LRQFQHHMMMVDFK-UHFFFAOYSA-N 1 2 340.420 2.187 20 30 EEEDLO CCN(C)C(=O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348306950 465542670 /nfs/dbraw/zinc/54/26/70/465542670.db2.gz NFMNJQBHHCRNIQ-INIZCTEOSA-N 1 2 334.851 2.001 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000360289549 465554080 /nfs/dbraw/zinc/55/40/80/465554080.db2.gz BNWAMRAZNNENLW-UHFFFAOYSA-N 1 2 335.398 2.287 20 30 EEEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCOC[C@H](C2CCC2)C1 ZINC000330180015 465559808 /nfs/dbraw/zinc/55/98/08/465559808.db2.gz FQRVFVWSKWTLOH-OAHLLOKOSA-N 1 2 332.448 2.382 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000352921474 465568630 /nfs/dbraw/zinc/56/86/30/465568630.db2.gz KCTSAEPANMASMQ-CQSZACIVSA-N 1 2 338.205 2.040 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000344088180 465583172 /nfs/dbraw/zinc/58/31/72/465583172.db2.gz JWWNVMLZSKCAOQ-FQEVSTJZSA-N 1 2 349.519 2.429 20 30 EEEDLO Cc1ccc([C@H](NC(=O)C[N@@H+]2CCN3C(=O)NC[C@H]3C2)C2CC2)cc1 ZINC000330280378 465596216 /nfs/dbraw/zinc/59/62/16/465596216.db2.gz SIDKEOGRWZFBBU-WMZOPIPTSA-N 1 2 342.443 2.316 20 30 EEEDLO Cc1ccc([C@H](NC(=O)C[N@H+]2CCN3C(=O)NC[C@H]3C2)C2CC2)cc1 ZINC000330280378 465596224 /nfs/dbraw/zinc/59/62/24/465596224.db2.gz SIDKEOGRWZFBBU-WMZOPIPTSA-N 1 2 342.443 2.316 20 30 EEEDLO CCN(CC)c1ccc(CNC(=O)N2CCC(F)(C#N)CC2)c[nH+]1 ZINC000344256582 465599149 /nfs/dbraw/zinc/59/91/49/465599149.db2.gz IUCXANWCHHJOAO-UHFFFAOYSA-N 1 2 333.411 2.465 20 30 EEEDLO CC(C)[C@H](C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)N1CCCC1=O ZINC000330326902 465613561 /nfs/dbraw/zinc/61/35/61/465613561.db2.gz KLVJXCSODLIBJB-UKPHBRMFSA-N 1 2 348.447 2.244 20 30 EEEDLO CCN1CCN(C(=O)Nc2ccccc2N(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000330352347 465626252 /nfs/dbraw/zinc/62/62/52/465626252.db2.gz NGKVVPLYVFBGRY-INIZCTEOSA-N 1 2 342.447 2.400 20 30 EEEDLO CC(C)c1nc([C@@H]2CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)no1 ZINC000330503475 465684951 /nfs/dbraw/zinc/68/49/51/465684951.db2.gz ZGISWYWYAQVOOY-RDTXWAMCSA-N 1 2 347.463 2.427 20 30 EEEDLO CC(C)c1nc([C@@H]2CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)no1 ZINC000330503475 465684961 /nfs/dbraw/zinc/68/49/61/465684961.db2.gz ZGISWYWYAQVOOY-RDTXWAMCSA-N 1 2 347.463 2.427 20 30 EEEDLO CC(C)c1nc([C@@H]2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)no1 ZINC000330503473 465685752 /nfs/dbraw/zinc/68/57/52/465685752.db2.gz ZGISWYWYAQVOOY-KDOFPFPSSA-N 1 2 347.463 2.427 20 30 EEEDLO CC(C)c1nc([C@@H]2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)no1 ZINC000330503473 465685760 /nfs/dbraw/zinc/68/57/60/465685760.db2.gz ZGISWYWYAQVOOY-KDOFPFPSSA-N 1 2 347.463 2.427 20 30 EEEDLO COCC[C@](C)(C#N)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000344902690 465799426 /nfs/dbraw/zinc/79/94/26/465799426.db2.gz HJZXBIHHPGGZKM-MRXNPFEDSA-N 1 2 336.342 2.058 20 30 EEEDLO CC(C)Oc1c(F)cc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1F ZINC000330817405 465816632 /nfs/dbraw/zinc/81/66/32/465816632.db2.gz LVRMTBSEYIGAOC-LBPRGKRZSA-N 1 2 343.374 2.409 20 30 EEEDLO CC(C)Oc1c(F)cc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1F ZINC000330817405 465816640 /nfs/dbraw/zinc/81/66/40/465816640.db2.gz LVRMTBSEYIGAOC-LBPRGKRZSA-N 1 2 343.374 2.409 20 30 EEEDLO N#Cc1cccc(CCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000338123563 465833408 /nfs/dbraw/zinc/83/34/08/465833408.db2.gz ZNKAQHNJQQHVMM-UHFFFAOYSA-N 1 2 349.438 2.023 20 30 EEEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000301107740 465903355 /nfs/dbraw/zinc/90/33/55/465903355.db2.gz UXYZFBXUDFOQEC-IRXDYDNUSA-N 1 2 340.471 2.185 20 30 EEEDLO N#Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)s1 ZINC000362971649 466153595 /nfs/dbraw/zinc/15/35/95/466153595.db2.gz CYCKLHRZPLEWEN-UHFFFAOYSA-N 1 2 341.436 2.382 20 30 EEEDLO CC#CCCNC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000361647616 466175515 /nfs/dbraw/zinc/17/55/15/466175515.db2.gz ZEDOXWLLQCOZME-UHFFFAOYSA-N 1 2 329.448 2.153 20 30 EEEDLO C[S@@](=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000349841116 466265542 /nfs/dbraw/zinc/26/55/42/466265542.db2.gz UBZKGPTZNWXFRD-XMMPIXPASA-N 1 2 340.452 2.013 20 30 EEEDLO COc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(OCC(C)C)c1 ZINC000580717631 468482246 /nfs/dbraw/zinc/48/22/46/468482246.db2.gz HBGKWAWFZWORKI-SFHVURJKSA-N 1 2 333.432 2.304 20 30 EEEDLO C=C(C)Cn1c(CC(C)(C)C)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000338805471 466390587 /nfs/dbraw/zinc/39/05/87/466390587.db2.gz QFHWPOHWKLBYFP-MRXNPFEDSA-N 1 2 347.507 2.354 20 30 EEEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)[nH]1 ZINC000332832656 466575349 /nfs/dbraw/zinc/57/53/49/466575349.db2.gz VEHYQIGVUVOKHV-ZFWWWQNUSA-N 1 2 344.463 2.024 20 30 EEEDLO Cc1nnc([C@H]2CCC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)[nH]1 ZINC000332832656 466575353 /nfs/dbraw/zinc/57/53/53/466575353.db2.gz VEHYQIGVUVOKHV-ZFWWWQNUSA-N 1 2 344.463 2.024 20 30 EEEDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000332832656 466575361 /nfs/dbraw/zinc/57/53/61/466575361.db2.gz VEHYQIGVUVOKHV-ZFWWWQNUSA-N 1 2 344.463 2.024 20 30 EEEDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000332832656 466575369 /nfs/dbraw/zinc/57/53/69/466575369.db2.gz VEHYQIGVUVOKHV-ZFWWWQNUSA-N 1 2 344.463 2.024 20 30 EEEDLO Cc1nc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)n[nH]1 ZINC000332832656 466575374 /nfs/dbraw/zinc/57/53/74/466575374.db2.gz VEHYQIGVUVOKHV-ZFWWWQNUSA-N 1 2 344.463 2.024 20 30 EEEDLO Cc1nc([C@H]2CCC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)n[nH]1 ZINC000332832656 466575380 /nfs/dbraw/zinc/57/53/80/466575380.db2.gz VEHYQIGVUVOKHV-ZFWWWQNUSA-N 1 2 344.463 2.024 20 30 EEEDLO N#Cc1ccc(CNc2ccc(N3CCC(CO)CC3)c[nH+]2)cc1F ZINC000421341913 466653936 /nfs/dbraw/zinc/65/39/36/466653936.db2.gz MHSXRCDGNPSLIE-UHFFFAOYSA-N 1 2 340.402 2.913 20 30 EEEDLO N#CC1(CNC(=O)Nc2ccccc2C[NH+]2CCOCC2)CCC1 ZINC000416776645 466748919 /nfs/dbraw/zinc/74/89/19/466748919.db2.gz XINSNTXZIFVABX-UHFFFAOYSA-N 1 2 328.416 2.334 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1C)CCC2 ZINC000370951760 467053020 /nfs/dbraw/zinc/05/30/20/467053020.db2.gz ASHKJXVKWHSWDF-HNNXBMFYSA-N 1 2 344.440 2.228 20 30 EEEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000432986744 467281489 /nfs/dbraw/zinc/28/14/89/467281489.db2.gz BBRYVZMLDSOFHR-CYBMUJFWSA-N 1 2 329.425 2.399 20 30 EEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000432986744 467281493 /nfs/dbraw/zinc/28/14/93/467281493.db2.gz BBRYVZMLDSOFHR-CYBMUJFWSA-N 1 2 329.425 2.399 20 30 EEEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cccc(SCC#N)c1 ZINC000413955317 467349387 /nfs/dbraw/zinc/34/93/87/467349387.db2.gz KDVMSYNHAFJXNY-UHFFFAOYSA-N 1 2 333.457 2.143 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc([N+](=O)[O-])c2ccccc12 ZINC000414153225 467384360 /nfs/dbraw/zinc/38/43/60/467384360.db2.gz YAWHLYZNMGTISU-ZDUSSCGKSA-N 1 2 329.356 2.333 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc([N+](=O)[O-])c2ccccc12 ZINC000414153225 467384362 /nfs/dbraw/zinc/38/43/62/467384362.db2.gz YAWHLYZNMGTISU-ZDUSSCGKSA-N 1 2 329.356 2.333 20 30 EEEDLO C=C(C)CCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000452716085 467413364 /nfs/dbraw/zinc/41/33/64/467413364.db2.gz GKOHUDMQESKLHL-MRXNPFEDSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C(C)CCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000452716085 467413369 /nfs/dbraw/zinc/41/33/69/467413369.db2.gz GKOHUDMQESKLHL-MRXNPFEDSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000452922645 467439923 /nfs/dbraw/zinc/43/99/23/467439923.db2.gz DKOVLPWLEBYHSH-IKGGRYGDSA-N 1 2 332.469 2.236 20 30 EEEDLO N#CC1(CS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC000408228938 467531677 /nfs/dbraw/zinc/53/16/77/467531677.db2.gz LAFVCMRTOLFEOB-UHFFFAOYSA-N 1 2 348.472 2.007 20 30 EEEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439450249 467567294 /nfs/dbraw/zinc/56/72/94/467567294.db2.gz HOBDWYMPVULYAT-CQSZACIVSA-N 1 2 341.864 2.114 20 30 EEEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439450249 467567295 /nfs/dbraw/zinc/56/72/95/467567295.db2.gz HOBDWYMPVULYAT-CQSZACIVSA-N 1 2 341.864 2.114 20 30 EEEDLO C=C(C)CCNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000454240888 467579290 /nfs/dbraw/zinc/57/92/90/467579290.db2.gz LHIYGHCTVRVFTH-UHFFFAOYSA-N 1 2 344.459 2.355 20 30 EEEDLO C=CC(C)(C)CNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000454330508 467585286 /nfs/dbraw/zinc/58/52/86/467585286.db2.gz TUABZOAUOPMETO-AWEZNQCLSA-N 1 2 332.448 2.318 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](Cc3ncc(C#N)cn3)C2)C1 ZINC000497132775 467850562 /nfs/dbraw/zinc/85/05/62/467850562.db2.gz OIVBTSLEDUDVEC-GOSISDBHSA-N 1 2 343.431 2.181 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ncc(C#N)cn3)C2)C1 ZINC000497132775 467850567 /nfs/dbraw/zinc/85/05/67/467850567.db2.gz OIVBTSLEDUDVEC-GOSISDBHSA-N 1 2 343.431 2.181 20 30 EEEDLO Cc1oc(NC(=O)C[N@H+](CCO)Cc2cccc(F)c2)c(C#N)c1C ZINC000494290805 468042754 /nfs/dbraw/zinc/04/27/54/468042754.db2.gz PEYIRVYFIMAUOV-UHFFFAOYSA-N 1 2 345.374 2.340 20 30 EEEDLO Cc1oc(NC(=O)C[N@@H+](CCO)Cc2cccc(F)c2)c(C#N)c1C ZINC000494290805 468042757 /nfs/dbraw/zinc/04/27/57/468042757.db2.gz PEYIRVYFIMAUOV-UHFFFAOYSA-N 1 2 345.374 2.340 20 30 EEEDLO C=CC[N@@H+](Cc1ncnn1CC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000487913612 468060151 /nfs/dbraw/zinc/06/01/51/468060151.db2.gz HWIVZRKZZRVJGZ-CQSZACIVSA-N 1 2 338.419 2.023 20 30 EEEDLO C=CC[N@H+](Cc1ncnn1CC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000487913612 468060155 /nfs/dbraw/zinc/06/01/55/468060155.db2.gz HWIVZRKZZRVJGZ-CQSZACIVSA-N 1 2 338.419 2.023 20 30 EEEDLO CC(C)c1nn(C)c2sc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc12 ZINC000566012990 468141427 /nfs/dbraw/zinc/14/14/27/468141427.db2.gz BDHDUXAIKMYWPE-MRXNPFEDSA-N 1 2 333.461 2.332 20 30 EEEDLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000589300622 468141643 /nfs/dbraw/zinc/14/16/43/468141643.db2.gz LJNLKWOCAYVLOH-AWEZNQCLSA-N 1 2 339.439 2.493 20 30 EEEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000589300622 468141648 /nfs/dbraw/zinc/14/16/48/468141648.db2.gz LJNLKWOCAYVLOH-AWEZNQCLSA-N 1 2 339.439 2.493 20 30 EEEDLO C[C@@H](CC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)n1cc[nH+]c1 ZINC000577114556 468178728 /nfs/dbraw/zinc/17/87/28/468178728.db2.gz KOXDUMFSWCHHEC-FUHWJXTLSA-N 1 2 337.427 2.243 20 30 EEEDLO N#C[C@]1(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CCSC1 ZINC000591815588 468525035 /nfs/dbraw/zinc/52/50/35/468525035.db2.gz RILXBLYFEZPFDO-RHSMWYFYSA-N 1 2 326.425 2.447 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2c(C(C)C)nc3sc(C)nn23)C1=O ZINC000583077238 468639605 /nfs/dbraw/zinc/63/96/05/468639605.db2.gz MQSRKZJDJBDYBC-CYBMUJFWSA-N 1 2 347.488 2.441 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2c(C(C)C)nc3sc(C)nn23)C1=O ZINC000583077238 468639609 /nfs/dbraw/zinc/63/96/09/468639609.db2.gz MQSRKZJDJBDYBC-CYBMUJFWSA-N 1 2 347.488 2.441 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149657 468639839 /nfs/dbraw/zinc/63/98/39/468639839.db2.gz SZXMMOBZAHVNSV-PBHICJAKSA-N 1 2 333.457 2.002 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149657 468639844 /nfs/dbraw/zinc/63/98/44/468639844.db2.gz SZXMMOBZAHVNSV-PBHICJAKSA-N 1 2 333.457 2.002 20 30 EEEDLO Cc1cc(Br)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)s1 ZINC000570727925 468683688 /nfs/dbraw/zinc/68/36/88/468683688.db2.gz VVUZQCZYKBCVHE-GFCCVEGCSA-N 1 2 330.251 2.393 20 30 EEEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000570566866 468657877 /nfs/dbraw/zinc/65/78/77/468657877.db2.gz LEYOXKGGEXSRCB-UHFFFAOYSA-N 1 2 345.424 2.130 20 30 EEEDLO C[C@H](CC(=O)N1CCN(c2ccsc2C#N)CC1)n1cc[nH+]c1 ZINC000597943159 468720224 /nfs/dbraw/zinc/72/02/24/468720224.db2.gz QBBNDFIOQBJUDU-CYBMUJFWSA-N 1 2 329.429 2.116 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(F)ccc1Br ZINC000571947682 468861612 /nfs/dbraw/zinc/86/16/12/468861612.db2.gz JHOHWSNUIUOGSK-CYBMUJFWSA-N 1 2 328.185 2.162 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000584413880 468866925 /nfs/dbraw/zinc/86/69/25/468866925.db2.gz CCGBVWRWIXLBHE-GOSISDBHSA-N 1 2 340.383 2.106 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000584413881 468867032 /nfs/dbraw/zinc/86/70/32/468867032.db2.gz CCGBVWRWIXLBHE-SFHVURJKSA-N 1 2 340.383 2.106 20 30 EEEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1c(C)cc(F)cc1C#N ZINC000601428881 468868928 /nfs/dbraw/zinc/86/89/28/468868928.db2.gz NKNMZEVPPRDCPU-NSHDSACASA-N 1 2 336.392 2.262 20 30 EEEDLO CCOC(=O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598589733 468925311 /nfs/dbraw/zinc/92/53/11/468925311.db2.gz IFDRVNSUZRGZBK-INIZCTEOSA-N 1 2 336.407 2.492 20 30 EEEDLO CCOC(=O)C[N@H+](Cc1ccc(F)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598589733 468925314 /nfs/dbraw/zinc/92/53/14/468925314.db2.gz IFDRVNSUZRGZBK-INIZCTEOSA-N 1 2 336.407 2.492 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1cc(C(=O)OC)ccc1C)[C@H](C)COC ZINC000595639820 468934789 /nfs/dbraw/zinc/93/47/89/468934789.db2.gz WYJWPUKGSJRESG-CQSZACIVSA-N 1 2 334.416 2.243 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1cc(C(=O)OC)ccc1C)[C@H](C)COC ZINC000595639820 468934793 /nfs/dbraw/zinc/93/47/93/468934793.db2.gz WYJWPUKGSJRESG-CQSZACIVSA-N 1 2 334.416 2.243 20 30 EEEDLO N#Cc1c(F)cccc1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601730835 468990629 /nfs/dbraw/zinc/99/06/29/468990629.db2.gz WEQHOSKTKLONMK-UHFFFAOYSA-N 1 2 339.370 2.361 20 30 EEEDLO CCO[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000598978358 469074338 /nfs/dbraw/zinc/07/43/38/469074338.db2.gz STVNJSUFIADMFX-SFHVURJKSA-N 1 2 329.444 2.264 20 30 EEEDLO COC(=O)[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@H](C)O1 ZINC000593679412 469091427 /nfs/dbraw/zinc/09/14/27/469091427.db2.gz XOAUGEZOVCDEIC-YOEHRIQHSA-N 1 2 332.400 2.131 20 30 EEEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@H](C)O1 ZINC000593679412 469091435 /nfs/dbraw/zinc/09/14/35/469091435.db2.gz XOAUGEZOVCDEIC-YOEHRIQHSA-N 1 2 332.400 2.131 20 30 EEEDLO C[C@H](CC#N)[NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000602861744 469125945 /nfs/dbraw/zinc/12/59/45/469125945.db2.gz HWQFPRVBBAKYKI-TZMCWYRMSA-N 1 2 326.356 2.442 20 30 EEEDLO CCCC(=O)NC1CC[NH+](Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000611126721 469168573 /nfs/dbraw/zinc/16/85/73/469168573.db2.gz MWSOVJPXFGRFAK-UHFFFAOYSA-N 1 2 343.427 2.226 20 30 EEEDLO N#CCc1ccccc1S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000589127697 469198318 /nfs/dbraw/zinc/19/83/18/469198318.db2.gz KHOBUKAYRNYDFP-AWEZNQCLSA-N 1 2 330.413 2.392 20 30 EEEDLO CCc1nn(C)cc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000611410862 469243415 /nfs/dbraw/zinc/24/34/15/469243415.db2.gz XPEKDBQBKVIPSQ-UHFFFAOYSA-N 1 2 340.431 2.042 20 30 EEEDLO CC(C)[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000611517001 469270251 /nfs/dbraw/zinc/27/02/51/469270251.db2.gz TWCRCUWLGUJKNS-ROUUACIJSA-N 1 2 327.428 2.410 20 30 EEEDLO CC(C)[C@@H]1C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000611517001 469270254 /nfs/dbraw/zinc/27/02/54/469270254.db2.gz TWCRCUWLGUJKNS-ROUUACIJSA-N 1 2 327.428 2.410 20 30 EEEDLO Cc1nc(N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cc[nH+]1 ZINC000596454888 469272109 /nfs/dbraw/zinc/27/21/09/469272109.db2.gz XGLHLQQYRRPMAB-UHFFFAOYSA-N 1 2 345.410 2.373 20 30 EEEDLO CO[C@@H](C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1CCOCC1 ZINC000602429206 469311612 /nfs/dbraw/zinc/31/16/12/469311612.db2.gz VAGKZAVOVJAEEP-PMACEKPBSA-N 1 2 343.471 2.138 20 30 EEEDLO CO[C@@H](C[N@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1CCOCC1 ZINC000602429206 469311614 /nfs/dbraw/zinc/31/16/14/469311614.db2.gz VAGKZAVOVJAEEP-PMACEKPBSA-N 1 2 343.471 2.138 20 30 EEEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)n2)c1 ZINC000615770120 469312079 /nfs/dbraw/zinc/31/20/79/469312079.db2.gz ZVBKMHYGSPMSML-OAHLLOKOSA-N 1 2 346.394 2.024 20 30 EEEDLO COc1ncc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000602434851 469315522 /nfs/dbraw/zinc/31/55/22/469315522.db2.gz QXPPWVVAISDGTD-UHFFFAOYSA-N 1 2 328.441 2.341 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1C#N ZINC000615806944 469319197 /nfs/dbraw/zinc/31/91/97/469319197.db2.gz VYYZIQDNPKFUFD-ZSZQSSIHSA-N 1 2 349.438 2.138 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1C#N ZINC000615806944 469319201 /nfs/dbraw/zinc/31/92/01/469319201.db2.gz VYYZIQDNPKFUFD-ZSZQSSIHSA-N 1 2 349.438 2.138 20 30 EEEDLO Cc1ccncc1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000596657739 469324969 /nfs/dbraw/zinc/32/49/69/469324969.db2.gz UBDZCXVYQWJNMC-UHFFFAOYSA-N 1 2 334.423 2.149 20 30 EEEDLO Cc1cc(S(=O)(=O)Nc2ccnn2-c2cc[nH+]cc2)ccc1C#N ZINC000618602715 469400636 /nfs/dbraw/zinc/40/06/36/469400636.db2.gz DKOIVHMQVDXTPQ-UHFFFAOYSA-N 1 2 339.380 2.248 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000613127585 469635000 /nfs/dbraw/zinc/63/50/00/469635000.db2.gz GKFDHAPVJGABLS-IRXDYDNUSA-N 1 2 334.508 2.189 20 30 EEEDLO C=CCCOCC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000620202275 469787243 /nfs/dbraw/zinc/78/72/43/469787243.db2.gz QHHGYTMEBOJVCW-GOSISDBHSA-N 1 2 332.444 2.077 20 30 EEEDLO CC(C)CN(CC(C)C)C(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609485772 469933059 /nfs/dbraw/zinc/93/30/59/469933059.db2.gz XDXAMBDSAVLKLN-GOSISDBHSA-N 1 2 336.524 2.293 20 30 EEEDLO C=CCCn1cc(C[NH2+]Cc2ccnc(N3CCSCC3)c2)nn1 ZINC000631241013 470100549 /nfs/dbraw/zinc/10/05/49/470100549.db2.gz MJXOBZFMCAGKLY-UHFFFAOYSA-N 1 2 344.488 2.092 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CN(C(=O)[C@](C)(C=C)CC)CC[N@@H+]1C ZINC000652497899 471301187 /nfs/dbraw/zinc/30/11/87/471301187.db2.gz PTPHREYYPKWDMA-PWIZWCRZSA-N 1 2 349.519 2.450 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CN(C(=O)[C@](C)(C=C)CC)CC[N@H+]1C ZINC000652497899 471301189 /nfs/dbraw/zinc/30/11/89/471301189.db2.gz PTPHREYYPKWDMA-PWIZWCRZSA-N 1 2 349.519 2.450 20 30 EEEDLO C=C[C@](C)(O)C(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000669234072 471426177 /nfs/dbraw/zinc/42/61/77/471426177.db2.gz LEUQKFOCXBUWAX-AEFFLSMTSA-N 1 2 338.398 2.497 20 30 EEEDLO C=CCOc1cccc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000665846985 472212727 /nfs/dbraw/zinc/21/27/27/472212727.db2.gz DVOXAJYXBAYOJN-MRXNPFEDSA-N 1 2 331.416 2.190 20 30 EEEDLO C=CCN(Cc1ccccc1F)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434352428 485712291 /nfs/dbraw/zinc/71/22/91/485712291.db2.gz GMGMYCFUFRVYDN-UHFFFAOYSA-N 1 2 347.434 2.388 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000682164360 486430615 /nfs/dbraw/zinc/43/06/15/486430615.db2.gz OBJMYQWFOYGVGH-MAUKXSAKSA-N 1 2 335.448 2.245 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000682164360 486430620 /nfs/dbraw/zinc/43/06/20/486430620.db2.gz OBJMYQWFOYGVGH-MAUKXSAKSA-N 1 2 335.448 2.245 20 30 EEEDLO CC(=O)N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000112131246 526631751 /nfs/dbraw/zinc/63/17/51/526631751.db2.gz GOATZXSLCMPLDG-UHFFFAOYSA-N 1 2 337.427 2.128 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155282763 527632511 /nfs/dbraw/zinc/63/25/11/527632511.db2.gz XDAZSGYZYJHMML-LBPRGKRZSA-N 1 2 344.381 2.460 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155282763 527632514 /nfs/dbraw/zinc/63/25/14/527632514.db2.gz XDAZSGYZYJHMML-LBPRGKRZSA-N 1 2 344.381 2.460 20 30 EEEDLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000111250729 527817540 /nfs/dbraw/zinc/81/75/40/527817540.db2.gz ZWVRSVTZTQUPRM-HNNXBMFYSA-N 1 2 337.464 2.192 20 30 EEEDLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000111250729 527817547 /nfs/dbraw/zinc/81/75/47/527817547.db2.gz ZWVRSVTZTQUPRM-HNNXBMFYSA-N 1 2 337.464 2.192 20 30 EEEDLO N#CCC[N@H+](CC1CC1)Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000737686888 576018289 /nfs/dbraw/zinc/01/82/89/576018289.db2.gz MVKOVPSHMZPKCV-UHFFFAOYSA-N 1 2 348.414 2.313 20 30 EEEDLO N#CCC[N@@H+](CC1CC1)Cn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000737686888 576018290 /nfs/dbraw/zinc/01/82/90/576018290.db2.gz MVKOVPSHMZPKCV-UHFFFAOYSA-N 1 2 348.414 2.313 20 30 EEEDLO N#CC[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)C1CCCC1 ZINC000737693245 576671147 /nfs/dbraw/zinc/67/11/47/576671147.db2.gz MVPJJZXIGJBDAV-UHFFFAOYSA-N 1 2 326.404 2.404 20 30 EEEDLO N#CC[N@@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)C1CCCC1 ZINC000737693245 576671148 /nfs/dbraw/zinc/67/11/48/576671148.db2.gz MVPJJZXIGJBDAV-UHFFFAOYSA-N 1 2 326.404 2.404 20 30 EEEDLO C=CC[N@@H+](CN1C(=O)N[C@](C)(Cc2ccc(OC)cc2)C1=O)C(C)C ZINC000730252968 577011669 /nfs/dbraw/zinc/01/16/69/577011669.db2.gz OCUOHHPHNZEDEM-LJQANCHMSA-N 1 2 345.443 2.402 20 30 EEEDLO C=CC[N@H+](CN1C(=O)N[C@](C)(Cc2ccc(OC)cc2)C1=O)C(C)C ZINC000730252968 577011673 /nfs/dbraw/zinc/01/16/73/577011673.db2.gz OCUOHHPHNZEDEM-LJQANCHMSA-N 1 2 345.443 2.402 20 30 EEEDLO C[N@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732811280 577193407 /nfs/dbraw/zinc/19/34/07/577193407.db2.gz QQWQFLSFQWWMNU-CYBMUJFWSA-N 1 2 329.297 2.292 20 30 EEEDLO C[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732811280 577193408 /nfs/dbraw/zinc/19/34/08/577193408.db2.gz QQWQFLSFQWWMNU-CYBMUJFWSA-N 1 2 329.297 2.292 20 30 EEEDLO C[C@@H](C(=O)OCCCOc1ccc(C#N)cc1)[NH+]1CCSCC1 ZINC000774984805 577425389 /nfs/dbraw/zinc/42/53/89/577425389.db2.gz XPVBVJFOELDMHR-AWEZNQCLSA-N 1 2 334.441 2.308 20 30 EEEDLO C#C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[C@H]1CCCO1 ZINC000775346658 577435553 /nfs/dbraw/zinc/43/55/53/577435553.db2.gz JSBUQOQAJRJTLV-IPMKNSEASA-N 1 2 344.430 2.477 20 30 EEEDLO C#C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[C@H]1CCCO1 ZINC000775346658 577435554 /nfs/dbraw/zinc/43/55/54/577435554.db2.gz JSBUQOQAJRJTLV-IPMKNSEASA-N 1 2 344.430 2.477 20 30 EEEDLO C#CC[C@@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)c1ccccc1 ZINC000775401202 577436653 /nfs/dbraw/zinc/43/66/53/577436653.db2.gz WJILGGJIZUBAGD-OAHLLOKOSA-N 1 2 339.420 2.363 20 30 EEEDLO C#C[C@H]([NH2+]Cc1nc(-c2ccc(C)c(OC)c2)no1)[C@H]1CCCO1 ZINC000775788730 577445667 /nfs/dbraw/zinc/44/56/67/577445667.db2.gz IZNLGHMAYCXDNY-LSDHHAIUSA-N 1 2 327.384 2.324 20 30 EEEDLO C#C[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)[C@@H]1CCCO1 ZINC000775801141 577446314 /nfs/dbraw/zinc/44/63/14/577446314.db2.gz WNEPHLSDYMQXAY-GJZGRUSLSA-N 1 2 330.819 2.406 20 30 EEEDLO N#Cc1c2c(cn(C[NH+]3CCC([C@@H]4CCCO4)CC3)c1=O)CCC2 ZINC000766633610 577522485 /nfs/dbraw/zinc/52/24/85/577522485.db2.gz HGHOIDGFKKTNJJ-SFHVURJKSA-N 1 2 327.428 2.057 20 30 EEEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)c1=O)CCC2 ZINC000766632547 577522498 /nfs/dbraw/zinc/52/24/98/577522498.db2.gz BAKXGAWPVCGHHF-OAQYLSRUSA-N 1 2 347.418 2.298 20 30 EEEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@]4(C3)OCc3ccccc34)c1=O)CCC2 ZINC000766632547 577522499 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C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nc(CC)no3)[C@@H](C)C2)C1 ZINC000947702373 687288670 /nfs/dbraw/zinc/28/86/70/687288670.db2.gz NANQHZOGIMDSRW-KBPBESRZSA-N 1 2 332.448 2.457 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC([N@@H+](C)Cc3ncnn3CCC)CC2)C1 ZINC000985632409 687346806 /nfs/dbraw/zinc/34/68/06/687346806.db2.gz QYRXAAYRIVZLGI-UHFFFAOYSA-N 1 2 345.491 2.467 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC([N@H+](C)Cc3ncnn3CCC)CC2)C1 ZINC000985632409 687346811 /nfs/dbraw/zinc/34/68/11/687346811.db2.gz QYRXAAYRIVZLGI-UHFFFAOYSA-N 1 2 345.491 2.467 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cc(C)n[nH]2)C1 ZINC001027318682 687430323 /nfs/dbraw/zinc/43/03/23/687430323.db2.gz UUURFHPVZJHGSN-LBPRGKRZSA-N 1 2 341.253 2.163 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)c2cc(C)n[nH]2)C1 ZINC001027318682 687430327 /nfs/dbraw/zinc/43/03/27/687430327.db2.gz UUURFHPVZJHGSN-LBPRGKRZSA-N 1 2 341.253 2.163 20 30 EEEDLO C[C@@H](C#N)C[NH2+]Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000893544903 694153232 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C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2C)[C@H]1C ZINC001088514804 1187126629 /nfs/dbraw/zinc/12/66/29/1187126629.db2.gz LSVNJCQERSZODT-YPMHNXCESA-N 1 2 326.238 2.424 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2C)[C@H]1C ZINC001088514804 1187126631 /nfs/dbraw/zinc/12/66/31/1187126631.db2.gz LSVNJCQERSZODT-YPMHNXCESA-N 1 2 326.238 2.424 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@H+](Cc3cscn3)C[C@H]21 ZINC001075885264 1187188192 /nfs/dbraw/zinc/18/81/92/1187188192.db2.gz OFIKAJZPMRXHID-WMLDXEAASA-N 1 2 342.468 2.477 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]2C[N@@H+](Cc3cscn3)C[C@H]21 ZINC001075885264 1187188195 /nfs/dbraw/zinc/18/81/95/1187188195.db2.gz OFIKAJZPMRXHID-WMLDXEAASA-N 1 2 342.468 2.477 20 30 EEEDLO Cc1[nH]ncc1C[NH+]1CCC2(CCC(=O)N(CCCC#N)C2)CC1 ZINC001272753963 1193477904 /nfs/dbraw/zinc/47/79/04/1193477904.db2.gz AANMGZAOCPXLEC-UHFFFAOYSA-N 1 2 329.448 2.227 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088557342 1187353053 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OXNARRIGAYMOJR-QXAKKESOSA-N 1 2 328.456 2.290 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001105569606 1188183168 /nfs/dbraw/zinc/18/31/68/1188183168.db2.gz KAAMVHJOJULWER-CVEARBPZSA-N 1 2 346.475 2.394 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCC[C@@H]2NC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC001105653919 1188374224 /nfs/dbraw/zinc/37/42/24/1188374224.db2.gz CCFPYFWBVSCSRX-CJNGLKHVSA-N 1 2 338.415 2.006 20 30 EEEDLO Cc1ccc(-c2noc(C[NH2+]CCNC(=O)C#CC(C)C)n2)cc1F ZINC001126822468 1188460677 /nfs/dbraw/zinc/46/06/77/1188460677.db2.gz BYWIHXRASCTKFK-UHFFFAOYSA-N 1 2 344.390 2.049 20 30 EEEDLO CCn1ccnc1C[N@@H+]1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001272828014 1193566414 /nfs/dbraw/zinc/56/64/14/1193566414.db2.gz DDSXJWKMKSFFAL-GOSISDBHSA-N 1 2 329.448 2.164 20 30 EEEDLO CCn1ccnc1C[N@H+]1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001272828014 1193566416 /nfs/dbraw/zinc/56/64/16/1193566416.db2.gz DDSXJWKMKSFFAL-GOSISDBHSA-N 1 2 329.448 2.164 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)o1 ZINC001142636454 1188601459 /nfs/dbraw/zinc/60/14/59/1188601459.db2.gz XFBWTWWKKYDZQH-UHFFFAOYSA-N 1 2 325.368 2.260 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4coc(C)n4)C[C@H]32)cc1 ZINC001076119152 1188722141 /nfs/dbraw/zinc/72/21/41/1188722141.db2.gz BJWAURUGVBBEGD-PKOBYXMFSA-N 1 2 335.407 2.311 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4coc(C)n4)C[C@H]32)cc1 ZINC001076119152 1188722143 /nfs/dbraw/zinc/72/21/43/1188722143.db2.gz BJWAURUGVBBEGD-PKOBYXMFSA-N 1 2 335.407 2.311 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)c3nccs3)[C@@H]2C1 ZINC001076390887 1188887262 /nfs/dbraw/zinc/88/72/62/1188887262.db2.gz SUMXRXUNPRTITN-JKSUJKDBSA-N 1 2 338.436 2.361 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3nccs3)[C@@H]2C1 ZINC001076390887 1188887266 /nfs/dbraw/zinc/88/72/66/1188887266.db2.gz SUMXRXUNPRTITN-JKSUJKDBSA-N 1 2 338.436 2.361 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001076711729 1189121045 /nfs/dbraw/zinc/12/10/45/1189121045.db2.gz LMHBGKYRJGIWSM-GJZGRUSLSA-N 1 2 346.475 2.368 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001076711729 1189121047 /nfs/dbraw/zinc/12/10/47/1189121047.db2.gz LMHBGKYRJGIWSM-GJZGRUSLSA-N 1 2 346.475 2.368 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001076941706 1189243835 /nfs/dbraw/zinc/24/38/35/1189243835.db2.gz NXSIJMWITSGOEY-YJBOKZPZSA-N 1 2 346.475 2.052 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNc1[nH+]cnc2c1cnn2C ZINC001105689527 1189343191 /nfs/dbraw/zinc/34/31/91/1189343191.db2.gz QNRXMTHILYQUEN-OCCSQVGLSA-N 1 2 342.447 2.272 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC001077171378 1189375040 /nfs/dbraw/zinc/37/50/40/1189375040.db2.gz YSCLDVRUEGSMJS-CVEARBPZSA-N 1 2 334.464 2.277 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cnc(C(F)(F)F)nc2)C1=O ZINC001272483271 1190845239 /nfs/dbraw/zinc/84/52/39/1190845239.db2.gz DODACGCYUQPLRB-HNNXBMFYSA-N 1 2 340.349 2.248 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cnc(C(F)(F)F)nc2)C1=O ZINC001272483271 1190845241 /nfs/dbraw/zinc/84/52/41/1190845241.db2.gz DODACGCYUQPLRB-HNNXBMFYSA-N 1 2 340.349 2.248 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cn2nc(C)c3cccnc32)C1 ZINC001484053391 1191177632 /nfs/dbraw/zinc/17/76/32/1191177632.db2.gz BZJWPWHAFNICKQ-QGZVFWFLSA-N 1 2 347.850 2.073 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2nc(C)c3cccnc32)C1 ZINC001484053391 1191177633 /nfs/dbraw/zinc/17/76/33/1191177633.db2.gz BZJWPWHAFNICKQ-QGZVFWFLSA-N 1 2 347.850 2.073 20 30 EEEDLO Cc1[nH]nc(Cl)c1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001014674574 1224161662 /nfs/dbraw/zinc/16/16/62/1224161662.db2.gz RDBIIGWHPWJNFL-HNNXBMFYSA-N 1 2 342.830 2.227 20 30 EEEDLO Cc1[nH]nc(Cl)c1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001014674574 1224161667 /nfs/dbraw/zinc/16/16/67/1224161667.db2.gz RDBIIGWHPWJNFL-HNNXBMFYSA-N 1 2 342.830 2.227 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001033371801 1194499551 /nfs/dbraw/zinc/49/95/51/1194499551.db2.gz AZFBXFLSWPZLRG-KBPBESRZSA-N 1 2 349.853 2.249 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN(CC(F)F)C2)C1 ZINC001033371801 1194499554 /nfs/dbraw/zinc/49/95/54/1194499554.db2.gz AZFBXFLSWPZLRG-KBPBESRZSA-N 1 2 349.853 2.249 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001033431102 1194567119 /nfs/dbraw/zinc/56/71/19/1194567119.db2.gz BHZOYGPPDAADMO-UXLLHSPISA-N 1 2 347.459 2.422 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001033431102 1194567123 /nfs/dbraw/zinc/56/71/23/1194567123.db2.gz BHZOYGPPDAADMO-UXLLHSPISA-N 1 2 347.459 2.422 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001033464085 1194602134 /nfs/dbraw/zinc/60/21/34/1194602134.db2.gz VLSUEATYFLGHBF-LBPRGKRZSA-N 1 2 334.807 2.167 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001033464085 1194602137 /nfs/dbraw/zinc/60/21/37/1194602137.db2.gz VLSUEATYFLGHBF-LBPRGKRZSA-N 1 2 334.807 2.167 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001033617848 1194959582 /nfs/dbraw/zinc/95/95/82/1194959582.db2.gz CBDFROONRZZCSN-QFBILLFUSA-N 1 2 348.450 2.294 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001033617848 1194959587 /nfs/dbraw/zinc/95/95/87/1194959587.db2.gz CBDFROONRZZCSN-QFBILLFUSA-N 1 2 348.450 2.294 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC001033689250 1195085128 /nfs/dbraw/zinc/08/51/28/1195085128.db2.gz AGEVEGGMVRCQBP-AWEZNQCLSA-N 1 2 345.834 2.371 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC001033689250 1195085131 /nfs/dbraw/zinc/08/51/31/1195085131.db2.gz AGEVEGGMVRCQBP-AWEZNQCLSA-N 1 2 345.834 2.371 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001033690741 1195087438 /nfs/dbraw/zinc/08/74/38/1195087438.db2.gz HMRLDHIDRGUFKJ-CYBMUJFWSA-N 1 2 348.834 2.178 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001033690741 1195087441 /nfs/dbraw/zinc/08/74/41/1195087441.db2.gz HMRLDHIDRGUFKJ-CYBMUJFWSA-N 1 2 348.834 2.178 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2-n2ccnn2)C1 ZINC001033710631 1195117278 /nfs/dbraw/zinc/11/72/78/1195117278.db2.gz SEEAIIPBTIQNSJ-AWEZNQCLSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2-n2ccnn2)C1 ZINC001033710631 1195117286 /nfs/dbraw/zinc/11/72/86/1195117286.db2.gz SEEAIIPBTIQNSJ-AWEZNQCLSA-N 1 2 345.834 2.166 20 30 EEEDLO CCN(C(=O)c1ccn[nH]1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033765391 1195229694 /nfs/dbraw/zinc/22/96/94/1195229694.db2.gz RBNDHWILYHJGLY-KRWDZBQOSA-N 1 2 340.402 2.137 20 30 EEEDLO CCN(C(=O)c1ccn[nH]1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033765391 1195229698 /nfs/dbraw/zinc/22/96/98/1195229698.db2.gz RBNDHWILYHJGLY-KRWDZBQOSA-N 1 2 340.402 2.137 20 30 EEEDLO CCN(C(=O)c1cc[nH]n1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033765391 1195229701 /nfs/dbraw/zinc/22/97/01/1195229701.db2.gz RBNDHWILYHJGLY-KRWDZBQOSA-N 1 2 340.402 2.137 20 30 EEEDLO CCN(C(=O)c1cc[nH]n1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033765391 1195229704 /nfs/dbraw/zinc/22/97/04/1195229704.db2.gz RBNDHWILYHJGLY-KRWDZBQOSA-N 1 2 340.402 2.137 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001033793895 1195280814 /nfs/dbraw/zinc/28/08/14/1195280814.db2.gz FYNDHCZTIQQNFT-AWEZNQCLSA-N 1 2 343.456 2.388 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001033793895 1195280817 /nfs/dbraw/zinc/28/08/17/1195280817.db2.gz FYNDHCZTIQQNFT-AWEZNQCLSA-N 1 2 343.456 2.388 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001033801185 1195301566 /nfs/dbraw/zinc/30/15/66/1195301566.db2.gz KAPLPIAOXWAMLD-OAHLLOKOSA-N 1 2 341.415 2.228 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001033801185 1195301569 /nfs/dbraw/zinc/30/15/69/1195301569.db2.gz KAPLPIAOXWAMLD-OAHLLOKOSA-N 1 2 341.415 2.228 20 30 EEEDLO C[C@H](CCCCNc1ccc(C#N)cn1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001090169618 1195537405 /nfs/dbraw/zinc/53/74/05/1195537405.db2.gz RWKCLUGZLYXGAK-CQSZACIVSA-N 1 2 340.431 2.396 20 30 EEEDLO C[C@H](CCCCNc1ccc(C#N)cn1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001090169618 1195537409 /nfs/dbraw/zinc/53/74/09/1195537409.db2.gz RWKCLUGZLYXGAK-CQSZACIVSA-N 1 2 340.431 2.396 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001034013061 1195632383 /nfs/dbraw/zinc/63/23/83/1195632383.db2.gz BBDNSUYQVGVREW-HIFRSBDPSA-N 1 2 336.867 2.190 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001034013061 1195632385 /nfs/dbraw/zinc/63/23/85/1195632385.db2.gz BBDNSUYQVGVREW-HIFRSBDPSA-N 1 2 336.867 2.190 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001034112450 1195794458 /nfs/dbraw/zinc/79/44/58/1195794458.db2.gz ANSNARJLYXXRMD-MRXNPFEDSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001034112450 1195794460 /nfs/dbraw/zinc/79/44/60/1195794460.db2.gz ANSNARJLYXXRMD-MRXNPFEDSA-N 1 2 341.390 2.205 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C1CC[NH+](Cc2cnns2)CC1 ZINC001005512094 1195799338 /nfs/dbraw/zinc/79/93/38/1195799338.db2.gz WCNIMIVSZYXSRL-UHFFFAOYSA-N 1 2 345.472 2.262 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@@H+](Cc3cn(C)nn3)C2)CC1 ZINC001034381010 1196164047 /nfs/dbraw/zinc/16/40/47/1196164047.db2.gz MQPCJARQPKYWFW-MRXNPFEDSA-N 1 2 331.464 2.032 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@H+](Cc3cn(C)nn3)C2)CC1 ZINC001034381010 1196164049 /nfs/dbraw/zinc/16/40/49/1196164049.db2.gz MQPCJARQPKYWFW-MRXNPFEDSA-N 1 2 331.464 2.032 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccon2)C1 ZINC001034439910 1196234961 /nfs/dbraw/zinc/23/49/61/1196234961.db2.gz QXZSWUQPPLJMPJ-PVAVHDDUSA-N 1 2 333.432 2.127 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccon2)C1 ZINC001034439910 1196234964 /nfs/dbraw/zinc/23/49/64/1196234964.db2.gz QXZSWUQPPLJMPJ-PVAVHDDUSA-N 1 2 333.432 2.127 20 30 EEEDLO C=C(C)CCC(=O)N(C)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001078976740 1196551396 /nfs/dbraw/zinc/55/13/96/1196551396.db2.gz ZCDPMCAJHBBCEN-INIZCTEOSA-N 1 2 346.475 2.456 20 30 EEEDLO CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)CC1 ZINC001005739667 1196810552 /nfs/dbraw/zinc/81/05/52/1196810552.db2.gz ZAKOHDATLSFTBL-RDTXWAMCSA-N 1 2 328.460 2.022 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cccc3c2OC(F)(F)O3)C1=O ZINC001273299937 1197991974 /nfs/dbraw/zinc/99/19/74/1197991974.db2.gz OXVAJWOKJSRXGO-KRWDZBQOSA-N 1 2 348.349 2.208 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cccc3c2OC(F)(F)O3)C1=O ZINC001273299937 1197991980 /nfs/dbraw/zinc/99/19/80/1197991980.db2.gz OXVAJWOKJSRXGO-KRWDZBQOSA-N 1 2 348.349 2.208 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccsn3)C2)cc1F ZINC001014875893 1224477696 /nfs/dbraw/zinc/47/76/96/1224477696.db2.gz UOHLFFDNLKICQS-CYBMUJFWSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccsn3)C2)cc1F ZINC001014875893 1224477701 /nfs/dbraw/zinc/47/77/01/1224477701.db2.gz UOHLFFDNLKICQS-CYBMUJFWSA-N 1 2 330.388 2.158 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cnc(SC)nc1 ZINC001273383835 1198429256 /nfs/dbraw/zinc/42/92/56/1198429256.db2.gz JFPQDMILRLPCBK-KRWDZBQOSA-N 1 2 332.473 2.342 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cnc(SC)nc1 ZINC001273383835 1198429259 /nfs/dbraw/zinc/42/92/59/1198429259.db2.gz JFPQDMILRLPCBK-KRWDZBQOSA-N 1 2 332.473 2.342 20 30 EEEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)CSCc1ccc(C#N)cc1 ZINC000874701108 1198950361 /nfs/dbraw/zinc/95/03/61/1198950361.db2.gz QTAQLBCPAOEKCW-KRWDZBQOSA-N 1 2 347.484 2.018 20 30 EEEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)CSCc1ccc(C#N)cc1 ZINC000874701108 1198950367 /nfs/dbraw/zinc/95/03/67/1198950367.db2.gz QTAQLBCPAOEKCW-KRWDZBQOSA-N 1 2 347.484 2.018 20 30 EEEDLO CCCCN1CC2(C[NH+](CCCc3ccc(C#N)cc3)C2)OCC1=O ZINC001273439425 1198968137 /nfs/dbraw/zinc/96/81/37/1198968137.db2.gz ISZOXLICVWIEKV-UHFFFAOYSA-N 1 2 341.455 2.204 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2csnc2OC)C1 ZINC001131996582 1199182493 /nfs/dbraw/zinc/18/24/93/1199182493.db2.gz VUDZVMYYCSIRJQ-HIFRSBDPSA-N 1 2 335.473 2.424 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2csnc2OC)C1 ZINC001131996582 1199182495 /nfs/dbraw/zinc/18/24/95/1199182495.db2.gz VUDZVMYYCSIRJQ-HIFRSBDPSA-N 1 2 335.473 2.424 20 30 EEEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000875328092 1199211776 /nfs/dbraw/zinc/21/17/76/1199211776.db2.gz IIHAUJBGEPHRAE-WMLDXEAASA-N 1 2 330.432 2.029 20 30 EEEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000875328092 1199211782 /nfs/dbraw/zinc/21/17/82/1199211782.db2.gz IIHAUJBGEPHRAE-WMLDXEAASA-N 1 2 330.432 2.029 20 30 EEEDLO Cc1ncc(C[N@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)cn1 ZINC001132037501 1199221576 /nfs/dbraw/zinc/22/15/76/1199221576.db2.gz CTPXVJBVCXMEHD-WMLDXEAASA-N 1 2 328.460 2.304 20 30 EEEDLO Cc1ncc(C[N@@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)cn1 ZINC001132037501 1199221579 /nfs/dbraw/zinc/22/15/79/1199221579.db2.gz CTPXVJBVCXMEHD-WMLDXEAASA-N 1 2 328.460 2.304 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cnnn2CC)C1 ZINC001132330325 1199577601 /nfs/dbraw/zinc/57/76/01/1199577601.db2.gz FTGCKNTXRFLHKJ-HUUCEWRRSA-N 1 2 333.480 2.369 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cnnn2CC)C1 ZINC001132330325 1199577606 /nfs/dbraw/zinc/57/76/06/1199577606.db2.gz FTGCKNTXRFLHKJ-HUUCEWRRSA-N 1 2 333.480 2.369 20 30 EEEDLO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ncnn2CC)ccc1OC ZINC000877029707 1199848778 /nfs/dbraw/zinc/84/87/78/1199848778.db2.gz KYLQOKWEDCQLQF-CQSZACIVSA-N 1 2 329.404 2.277 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(C(F)(F)F)s1 ZINC001132574222 1199873443 /nfs/dbraw/zinc/87/34/43/1199873443.db2.gz XMLHYABCMXEDMT-DTWKUNHWSA-N 1 2 336.383 2.221 20 30 EEEDLO CNC(=O)[C@H]1CCCC[N@@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878035320 1200225750 /nfs/dbraw/zinc/22/57/50/1200225750.db2.gz RQCIBNWUXUKCJP-MJGOQNOKSA-N 1 2 327.428 2.028 20 30 EEEDLO CNC(=O)[C@H]1CCCC[N@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878035320 1200225758 /nfs/dbraw/zinc/22/57/58/1200225758.db2.gz RQCIBNWUXUKCJP-MJGOQNOKSA-N 1 2 327.428 2.028 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc([C@H](O)C(F)(F)F)cc1 ZINC000869888276 1200340431 /nfs/dbraw/zinc/34/04/31/1200340431.db2.gz NLFCBBZXLLCOGP-KBPBESRZSA-N 1 2 326.318 2.318 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc([C@H](O)C(F)(F)F)cc1 ZINC000869888276 1200340441 /nfs/dbraw/zinc/34/04/41/1200340441.db2.gz NLFCBBZXLLCOGP-KBPBESRZSA-N 1 2 326.318 2.318 20 30 EEEDLO Cc1nc(N2C[C@H](NC(=O)[C@@H](C)C#N)C(C)(C)C2)c2c([nH+]1)CCCC2 ZINC001114440367 1201952637 /nfs/dbraw/zinc/95/26/37/1201952637.db2.gz URXVSUHRLOQKOS-LRDDRELGSA-N 1 2 341.459 2.155 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCc2nnc(C(C)C)o2)cc1OC ZINC000132109438 1202083791 /nfs/dbraw/zinc/08/37/91/1202083791.db2.gz NEPHGHPKQMRRIU-UHFFFAOYSA-N 1 2 334.376 2.242 20 30 EEEDLO CCn1ccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001095367646 1204207315 /nfs/dbraw/zinc/20/73/15/1204207315.db2.gz QOVMPKZQBDIETC-QYZOEREBSA-N 1 2 348.450 2.290 20 30 EEEDLO CCn1ccnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001095367646 1204207316 /nfs/dbraw/zinc/20/73/16/1204207316.db2.gz QOVMPKZQBDIETC-QYZOEREBSA-N 1 2 348.450 2.290 20 30 EEEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]23CCN(C2COC2)C3=O)c1 ZINC001274424578 1205031146 /nfs/dbraw/zinc/03/11/46/1205031146.db2.gz GQUOFCBVIJVYQG-GOSISDBHSA-N 1 2 345.830 2.177 20 30 EEEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@]23CCN(C2COC2)C3=O)c1 ZINC001274424578 1205031149 /nfs/dbraw/zinc/03/11/49/1205031149.db2.gz GQUOFCBVIJVYQG-GOSISDBHSA-N 1 2 345.830 2.177 20 30 EEEDLO C#CCN1C[C@@]2(F)C[N@@H+](Cc3cccc4ccoc43)C[C@@]2(F)C1=O ZINC001274625893 1205104577 /nfs/dbraw/zinc/10/45/77/1205104577.db2.gz KUALPZRPQLEMNI-ZWKOTPCHSA-N 1 2 330.334 2.140 20 30 EEEDLO C#CCN1C[C@@]2(F)C[N@H+](Cc3cccc4ccoc43)C[C@@]2(F)C1=O ZINC001274625893 1205104578 /nfs/dbraw/zinc/10/45/78/1205104578.db2.gz KUALPZRPQLEMNI-ZWKOTPCHSA-N 1 2 330.334 2.140 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@]2(C)CCCN(c3cc[nH+]c(C)n3)C2)cn1 ZINC001110941527 1206356547 /nfs/dbraw/zinc/35/65/47/1206356547.db2.gz DWDDXFGDITUQDH-HXUWFJFHSA-N 1 2 349.438 2.198 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC(C)C)CC1 ZINC001110987731 1206554555 /nfs/dbraw/zinc/55/45/55/1206554555.db2.gz BZVYEWRLRFZPHS-ZACQAIPSSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC(C)C)CC1 ZINC001110987731 1206554557 /nfs/dbraw/zinc/55/45/57/1206554557.db2.gz BZVYEWRLRFZPHS-ZACQAIPSSA-N 1 2 347.503 2.227 20 30 EEEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(C#N)cc1Cl ZINC000930434033 1206557558 /nfs/dbraw/zinc/55/75/58/1206557558.db2.gz IWRUZDUVJMSFKF-ZDUSSCGKSA-N 1 2 336.823 2.444 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@H](C)C(C)C)C1 ZINC001111001830 1206601227 /nfs/dbraw/zinc/60/12/27/1206601227.db2.gz KNYWDFVFSYNLCX-VQHPVUNQSA-N 1 2 347.503 2.225 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@H](C)C(C)C)C1 ZINC001111001830 1206601228 /nfs/dbraw/zinc/60/12/28/1206601228.db2.gz KNYWDFVFSYNLCX-VQHPVUNQSA-N 1 2 347.503 2.225 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC(C)(C)C)C2 ZINC001111105575 1208225912 /nfs/dbraw/zinc/22/59/12/1208225912.db2.gz GELYARPONWOEGV-JJXSEGSLSA-N 1 2 335.492 2.082 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC(C)(C)C)C2 ZINC001111105575 1208225914 /nfs/dbraw/zinc/22/59/14/1208225914.db2.gz GELYARPONWOEGV-JJXSEGSLSA-N 1 2 335.492 2.082 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CCCCCC)C2 ZINC001111172943 1208315861 /nfs/dbraw/zinc/31/58/61/1208315861.db2.gz XVIUYGROWPLQBG-MLHJIOFPSA-N 1 2 347.503 2.064 20 30 EEEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CCCCCC)C2 ZINC001111172943 1208315863 /nfs/dbraw/zinc/31/58/63/1208315863.db2.gz XVIUYGROWPLQBG-MLHJIOFPSA-N 1 2 347.503 2.064 20 30 EEEDLO CN(CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1cccc(F)c1C#N ZINC001095772397 1208504316 /nfs/dbraw/zinc/50/43/16/1208504316.db2.gz UOTXXPPEHKWNJM-CHWSQXEVSA-N 1 2 341.390 2.167 20 30 EEEDLO CN(CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1cccc(F)c1C#N ZINC001095772397 1208504318 /nfs/dbraw/zinc/50/43/18/1208504318.db2.gz UOTXXPPEHKWNJM-CHWSQXEVSA-N 1 2 341.390 2.167 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2nnc(C)o2)[C@H](C)C1 ZINC000947391381 1208555932 /nfs/dbraw/zinc/55/59/32/1208555932.db2.gz KURYIYYPWNLDCF-UKRRQHHQSA-N 1 2 343.431 2.148 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2nnc(C)o2)[C@H](C)C1 ZINC000947391381 1208555933 /nfs/dbraw/zinc/55/59/33/1208555933.db2.gz KURYIYYPWNLDCF-UKRRQHHQSA-N 1 2 343.431 2.148 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ncccn3)[C@@H](C)C2)cc1 ZINC000947612699 1208645032 /nfs/dbraw/zinc/64/50/32/1208645032.db2.gz XGZNVYUIXKSZNZ-MAUKXSAKSA-N 1 2 334.423 2.241 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncccn3)[C@@H](C)C2)cc1 ZINC000947612699 1208645034 /nfs/dbraw/zinc/64/50/34/1208645034.db2.gz XGZNVYUIXKSZNZ-MAUKXSAKSA-N 1 2 334.423 2.241 20 30 EEEDLO Cc1nc(NC[C@H]2CC[C@H](CNC(=O)CSCC#N)CC2)cc[nH+]1 ZINC001111274157 1209133296 /nfs/dbraw/zinc/13/32/96/1209133296.db2.gz RAEHSLTWQQOUOO-SHTZXODSSA-N 1 2 347.488 2.376 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3cnn(CC)n3)CC2)C1 ZINC000948752747 1209348270 /nfs/dbraw/zinc/34/82/70/1209348270.db2.gz BWJHUUHAXXUBAQ-KRWDZBQOSA-N 1 2 345.491 2.467 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCC[N@H+](Cc3cnn(CC)n3)CC2)C1 ZINC000948752747 1209348272 /nfs/dbraw/zinc/34/82/72/1209348272.db2.gz BWJHUUHAXXUBAQ-KRWDZBQOSA-N 1 2 345.491 2.467 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ncc(F)cc1F ZINC000948927574 1209457088 /nfs/dbraw/zinc/45/70/88/1209457088.db2.gz CMTSLAFAGLDNSF-QGZVFWFLSA-N 1 2 341.361 2.322 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ncc(F)cc1F ZINC000948927574 1209457092 /nfs/dbraw/zinc/45/70/92/1209457092.db2.gz CMTSLAFAGLDNSF-QGZVFWFLSA-N 1 2 341.361 2.322 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC2(CC1)C[N@H+](Cc1cnoc1C)CCO2 ZINC000949433439 1209684344 /nfs/dbraw/zinc/68/43/44/1209684344.db2.gz UGHKNISDNRJPPX-UHFFFAOYSA-N 1 2 347.459 2.389 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC2(CC1)C[N@@H+](Cc1cnoc1C)CCO2 ZINC000949433439 1209684346 /nfs/dbraw/zinc/68/43/46/1209684346.db2.gz UGHKNISDNRJPPX-UHFFFAOYSA-N 1 2 347.459 2.389 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCCC3(F)F)CC2)C1 ZINC000949450824 1209692287 /nfs/dbraw/zinc/69/22/87/1209692287.db2.gz MCQKAJIALLVTJC-HNNXBMFYSA-N 1 2 340.414 2.139 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCCC3(F)F)CC2)C1 ZINC000949450824 1209692290 /nfs/dbraw/zinc/69/22/90/1209692290.db2.gz MCQKAJIALLVTJC-HNNXBMFYSA-N 1 2 340.414 2.139 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](CCc2ccccc2F)C1 ZINC000949919052 1209924189 /nfs/dbraw/zinc/92/41/89/1209924189.db2.gz LKYUWKUGDIESBI-UHFFFAOYSA-N 1 2 340.402 2.414 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnn(CC(C)C)c2CC)C1 ZINC000950085309 1210015971 /nfs/dbraw/zinc/01/59/71/1210015971.db2.gz GMVWJXOHFGHFOI-UHFFFAOYSA-N 1 2 330.476 2.271 20 30 EEEDLO C#CCCCCCC(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000779881883 1211636935 /nfs/dbraw/zinc/63/69/35/1211636935.db2.gz OGRQMHSOILAIBZ-UHFFFAOYSA-N 1 2 341.455 2.013 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC3(C)CC3)CC2)C1 ZINC000956597419 1214120967 /nfs/dbraw/zinc/12/09/67/1214120967.db2.gz DQRMDPPIPXRGHX-MRXNPFEDSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[NH+]([C@@H]3CCN(C(=O)/C(C)=C\C)C3)CC2)C1 ZINC000956606326 1214127366 /nfs/dbraw/zinc/12/73/66/1214127366.db2.gz SBQIACSVYIXWBD-HFLUPCSWSA-N 1 2 345.487 2.054 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH+]3CCN(C(=O)C(C)(C)C)CC3)C2)C1 ZINC000956608170 1214130228 /nfs/dbraw/zinc/13/02/28/1214130228.db2.gz QTVHVUYPVQPNAZ-INIZCTEOSA-N 1 2 347.503 2.134 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)c1 ZINC001015678352 1225541350 /nfs/dbraw/zinc/54/13/50/1225541350.db2.gz GDJBNDKCKAVSEU-GOSISDBHSA-N 1 2 348.381 2.078 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)c1 ZINC001015678352 1225541357 /nfs/dbraw/zinc/54/13/57/1225541357.db2.gz GDJBNDKCKAVSEU-GOSISDBHSA-N 1 2 348.381 2.078 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3conc3C3CC3)C2)s1 ZINC001015682948 1225545773 /nfs/dbraw/zinc/54/57/73/1225545773.db2.gz BIMAKHKKTNEDTN-LBPRGKRZSA-N 1 2 342.424 2.489 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3conc3C3CC3)C2)s1 ZINC001015682948 1225545779 /nfs/dbraw/zinc/54/57/79/1225545779.db2.gz BIMAKHKKTNEDTN-LBPRGKRZSA-N 1 2 342.424 2.489 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccnc(Cl)c3)C2)c1 ZINC001015679218 1225542277 /nfs/dbraw/zinc/54/22/77/1225542277.db2.gz VTSQJJCMLUGGBG-MRXNPFEDSA-N 1 2 340.814 2.116 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccnc(Cl)c3)C2)c1 ZINC001015679218 1225542282 /nfs/dbraw/zinc/54/22/82/1225542282.db2.gz VTSQJJCMLUGGBG-MRXNPFEDSA-N 1 2 340.814 2.116 20 30 EEEDLO C#CCOc1ccccc1C[NH+]1CCN(C2=NC[C@H](C)S2)CC1 ZINC000093663135 1214918687 /nfs/dbraw/zinc/91/86/87/1214918687.db2.gz NLFINCAEXQTGOL-HNNXBMFYSA-N 1 2 329.469 2.308 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3cccc(OC)c3C)CC2)cn1 ZINC000957381015 1215090805 /nfs/dbraw/zinc/09/08/05/1215090805.db2.gz CAZMATQHCIHGNR-UHFFFAOYSA-N 1 2 349.434 2.338 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nnc(C)n3C3CC3)C[C@H]21 ZINC001114723028 1215115534 /nfs/dbraw/zinc/11/55/34/1215115534.db2.gz RMIJVBMQZCWLFF-ANRZDRKOSA-N 1 2 343.475 2.070 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C)n3C3CC3)C[C@H]21 ZINC001114723028 1215115536 /nfs/dbraw/zinc/11/55/36/1215115536.db2.gz RMIJVBMQZCWLFF-ANRZDRKOSA-N 1 2 343.475 2.070 20 30 EEEDLO 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EEEDLO Cc1ncoc1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001007017269 1222063305 /nfs/dbraw/zinc/06/33/05/1222063305.db2.gz ZPQWSZSATLXWEJ-QGZVFWFLSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)co1 ZINC001007189211 1222125639 /nfs/dbraw/zinc/12/56/39/1222125639.db2.gz OPGDQJOOJIWROV-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)co1 ZINC001007189211 1222125642 /nfs/dbraw/zinc/12/56/42/1222125642.db2.gz OPGDQJOOJIWROV-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc[nH]c3)C2)ccc1F ZINC001007390564 1222202508 /nfs/dbraw/zinc/20/25/08/1222202508.db2.gz KNSVNEZTZVJQNQ-MRXNPFEDSA-N 1 2 326.375 2.420 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3cc[nH]c3)C2)ccc1F ZINC001007390564 1222202513 /nfs/dbraw/zinc/20/25/13/1222202513.db2.gz KNSVNEZTZVJQNQ-MRXNPFEDSA-N 1 2 326.375 2.420 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCN2C(=O)CC)C1 ZINC001007405119 1222210594 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C=C[C@](C)(O)CC(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097174900 1243787095 /nfs/dbraw/zinc/78/70/95/1243787095.db2.gz WXCQPBXJCJWFOV-IYOUNJFTSA-N 1 2 330.432 2.049 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050582518 1243886437 /nfs/dbraw/zinc/88/64/37/1243886437.db2.gz YETQFLONUFWWKV-LSDHHAIUSA-N 1 2 346.475 2.298 20 30 EEEDLO Cc1nc(N2CCC[C@H](CNC(=O)[C@@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001097297337 1243970278 /nfs/dbraw/zinc/97/02/78/1243970278.db2.gz DSOGIDQLRJGADZ-DZGCQCFKSA-N 1 2 341.459 2.156 20 30 EEEDLO N#Cc1ccc(NC2CCC(NC(=O)CCc3[nH]cc[nH+]3)CC2)cn1 ZINC001097621814 1244432353 /nfs/dbraw/zinc/43/23/53/1244432353.db2.gz HCOFOBHLLDYYBW-UHFFFAOYSA-N 1 2 338.415 2.148 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnc(C)cn2)cc1 ZINC001097626413 1244448704 /nfs/dbraw/zinc/44/87/04/1244448704.db2.gz FLBRASBSWNRSFM-AQNXPRMDSA-N 1 2 346.434 2.302 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnc(C)cn2)cc1 ZINC001097626413 1244448711 /nfs/dbraw/zinc/44/87/11/1244448711.db2.gz FLBRASBSWNRSFM-AQNXPRMDSA-N 1 2 346.434 2.302 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050846425 1244482860 /nfs/dbraw/zinc/48/28/60/1244482860.db2.gz XQWWXNMTUGJTGL-CABCVRRESA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001050886665 1244553244 /nfs/dbraw/zinc/55/32/44/1244553244.db2.gz UKSOSQSGGPKZHL-JKSUJKDBSA-N 1 2 346.475 2.062 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1nccc2ccsc21 ZINC001050964049 1244743990 /nfs/dbraw/zinc/74/39/90/1244743990.db2.gz RQDHJXWHPZGKSD-CQSZACIVSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1nccc2ccsc21 ZINC001050964049 1244743994 /nfs/dbraw/zinc/74/39/94/1244743994.db2.gz RQDHJXWHPZGKSD-CQSZACIVSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)cc(OC)c1 ZINC001051178774 1245092513 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20 30 EEEDLO C=CCCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001051332006 1245561747 /nfs/dbraw/zinc/56/17/47/1245561747.db2.gz JHPPPLKTAKASIR-HOTGVXAUSA-N 1 2 346.475 2.062 20 30 EEEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C)o3)C[C@@]2(C)C1 ZINC001101248837 1245569798 /nfs/dbraw/zinc/56/97/98/1245569798.db2.gz VEJCWANBBUZGSE-APWZRJJASA-N 1 2 344.459 2.427 20 30 EEEDLO C=CCC(CC=C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C)o3)C[C@@]2(C)C1 ZINC001101248837 1245569802 /nfs/dbraw/zinc/56/98/02/1245569802.db2.gz VEJCWANBBUZGSE-APWZRJJASA-N 1 2 344.459 2.427 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001051460249 1245749050 /nfs/dbraw/zinc/74/90/50/1245749050.db2.gz QUZCRBOJMPAKDD-JKSUJKDBSA-N 1 2 346.475 2.062 20 30 EEEDLO C=CCCC1(C(=O)N2CC[C@H]([C@@H](C)NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001051531523 1245839794 /nfs/dbraw/zinc/83/97/94/1245839794.db2.gz ACLIZGUMLAUIDS-CABCVRRESA-N 1 2 344.459 2.052 20 30 EEEDLO 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1247215165 /nfs/dbraw/zinc/21/51/65/1247215165.db2.gz VVYKJQWLFVQHLT-LJQANCHMSA-N 1 2 348.450 2.009 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc2n(n1)CCCC2 ZINC001054044379 1247215171 /nfs/dbraw/zinc/21/51/71/1247215171.db2.gz VVYKJQWLFVQHLT-LJQANCHMSA-N 1 2 348.450 2.009 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1c(C)cc(C)[nH]c1=O ZINC001054047696 1247227980 /nfs/dbraw/zinc/22/79/80/1247227980.db2.gz KJLKHGJIZNMJOH-SFHVURJKSA-N 1 2 349.434 2.194 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1c(C)cc(C)[nH]c1=O ZINC001054047696 1247227989 /nfs/dbraw/zinc/22/79/89/1247227989.db2.gz KJLKHGJIZNMJOH-SFHVURJKSA-N 1 2 349.434 2.194 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001054054625 1247250756 /nfs/dbraw/zinc/25/07/56/1247250756.db2.gz VHBYUQUQMVWWJU-QHAWAJNXSA-N 1 2 345.446 2.361 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001054054625 1247250765 /nfs/dbraw/zinc/25/07/65/1247250765.db2.gz VHBYUQUQMVWWJU-QHAWAJNXSA-N 1 2 345.446 2.361 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@H+](Cc2nncs2)CC1 ZINC001052444386 1247298881 /nfs/dbraw/zinc/29/88/81/1247298881.db2.gz FHUKNUVNGCGVGK-CQSZACIVSA-N 1 2 345.472 2.310 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2nncs2)CC1 ZINC001052444386 1247298891 /nfs/dbraw/zinc/29/88/91/1247298891.db2.gz FHUKNUVNGCGVGK-CQSZACIVSA-N 1 2 345.472 2.310 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3CN(c4cc[nH+]c(C)n4)C[C@@]3(C)C2)C1 ZINC001052563656 1247567730 /nfs/dbraw/zinc/56/77/30/1247567730.db2.gz DADZNZGRZBBSGC-BEFAXECRSA-N 1 2 326.444 2.426 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001052611952 1247684373 /nfs/dbraw/zinc/68/43/73/1247684373.db2.gz OOXSMEJRURJSRB-HUUCEWRRSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001052611952 1247684380 /nfs/dbraw/zinc/68/43/80/1247684380.db2.gz OOXSMEJRURJSRB-HUUCEWRRSA-N 1 2 346.475 2.155 20 30 EEEDLO 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C=C1CC(C)(C(=O)NC[C@H](CC)Nc2[nH+]cnc3c2cnn3C)C1 ZINC001103307202 1302699941 /nfs/dbraw/zinc/69/99/41/1302699941.db2.gz HONAJPDYMZAVQD-LBPRGKRZSA-N 1 2 328.420 2.026 20 30 EEEDLO CC[C@H](CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21)Nc1ccc(C#N)nc1 ZINC001103321230 1302729873 /nfs/dbraw/zinc/72/98/73/1302729873.db2.gz KQVTUDNSENKAGU-DOMZBBRYSA-N 1 2 338.415 2.103 20 30 EEEDLO C=C(C)CCC(=O)NC1(CNc2nc(N(C)C)nc(C)[nH+]2)CCCC1 ZINC001103444115 1302970305 /nfs/dbraw/zinc/97/03/05/1302970305.db2.gz BVJYRZNTJPWZHQ-UHFFFAOYSA-N 1 2 346.479 2.443 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@](C)(CNc1cc[nH+]c(C)n1)C1CC1 ZINC001103495968 1303035469 /nfs/dbraw/zinc/03/54/69/1303035469.db2.gz AOUXODGUIDHNKD-SCLBCKFNSA-N 1 2 332.448 2.463 20 30 EEEDLO C#CCCCC(=O)N1CCC2(CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001103827627 1303383432 /nfs/dbraw/zinc/38/34/32/1303383432.db2.gz OEIIKBCHPKPRKA-UHFFFAOYSA-N 1 2 326.444 2.407 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCSC ZINC001230704757 1303405460 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EEEDLO COc1ccc(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)N2CC(CC#N)C2)cc1F ZINC001277485160 1303620166 /nfs/dbraw/zinc/62/01/66/1303620166.db2.gz OZDUPPUJEBLQJM-BEFAXECRSA-N 1 2 343.402 2.171 20 30 EEEDLO CO[C@@H](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001231151829 1303654580 /nfs/dbraw/zinc/65/45/80/1303654580.db2.gz ZMXQMOIWBAEQMF-BBRMVZONSA-N 1 2 333.407 2.155 20 30 EEEDLO CO[C@@H](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001231151829 1303654581 /nfs/dbraw/zinc/65/45/81/1303654581.db2.gz ZMXQMOIWBAEQMF-BBRMVZONSA-N 1 2 333.407 2.155 20 30 EEEDLO C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001104217766 1303655582 /nfs/dbraw/zinc/65/55/82/1303655582.db2.gz SUVROPUONXGRJK-UPJWGTAASA-N 1 2 340.361 2.164 20 30 EEEDLO C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C ZINC001104217766 1303655588 /nfs/dbraw/zinc/65/55/88/1303655588.db2.gz SUVROPUONXGRJK-UPJWGTAASA-N 1 2 340.361 2.164 20 30 EEEDLO C#CCOCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001111746192 1303836186 /nfs/dbraw/zinc/83/61/86/1303836186.db2.gz LWCGYDLABUCVNS-HYVKWYOVSA-N 1 2 345.270 2.316 20 30 EEEDLO C#CCOCCC(=O)N[C@]12CCC[C@H]1C[N@H+](C/C(Cl)=C/Cl)C2 ZINC001111746192 1303836188 /nfs/dbraw/zinc/83/61/88/1303836188.db2.gz LWCGYDLABUCVNS-HYVKWYOVSA-N 1 2 345.270 2.316 20 30 EEEDLO COc1cc[nH+]c(CN2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)c1 ZINC001231967998 1303960381 /nfs/dbraw/zinc/96/03/81/1303960381.db2.gz FUDPTJKEPCNHNC-CQSZACIVSA-N 1 2 332.404 2.035 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)o1)C2 ZINC001111850438 1303995369 /nfs/dbraw/zinc/99/53/69/1303995369.db2.gz MNXBLLXWAFCSSR-VKJFTORMSA-N 1 2 332.448 2.451 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)o1)C2 ZINC001111850438 1303995371 /nfs/dbraw/zinc/99/53/71/1303995371.db2.gz MNXBLLXWAFCSSR-VKJFTORMSA-N 1 2 332.448 2.451 20 30 EEEDLO CCOc1ccc(OC)cc1C[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC001232387505 1304104469 /nfs/dbraw/zinc/10/44/69/1304104469.db2.gz NAMMYEYKVURMPH-UHFFFAOYSA-N 1 2 332.400 2.373 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncc(C)o1)C2 ZINC001112017393 1304164510 /nfs/dbraw/zinc/16/45/10/1304164510.db2.gz DMKHBPNGIKHYDK-VKJFTORMSA-N 1 2 333.432 2.045 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(C)o1)C2 ZINC001112017393 1304164513 /nfs/dbraw/zinc/16/45/13/1304164513.db2.gz DMKHBPNGIKHYDK-VKJFTORMSA-N 1 2 333.432 2.045 20 30 EEEDLO Cc1nc(-c2ccccn2)sc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000328727753 1304405753 /nfs/dbraw/zinc/40/57/53/1304405753.db2.gz GLXURCMVZFUQOP-GFCCVEGCSA-N 1 2 332.429 2.149 20 30 EEEDLO Cc1nc(-c2ccccn2)sc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000328727753 1304405755 /nfs/dbraw/zinc/40/57/55/1304405755.db2.gz GLXURCMVZFUQOP-GFCCVEGCSA-N 1 2 332.429 2.149 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(C#N)cc2O)[C@H]2C[C@H]21 ZINC001233383989 1304450942 /nfs/dbraw/zinc/45/09/42/1304450942.db2.gz COJBJEJMOAAULA-LSDHHAIUSA-N 1 2 329.400 2.457 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2O)[C@H]2C[C@H]21 ZINC001233383989 1304450946 /nfs/dbraw/zinc/45/09/46/1304450946.db2.gz COJBJEJMOAAULA-LSDHHAIUSA-N 1 2 329.400 2.457 20 30 EEEDLO CCOC(=O)c1cc2n(n1)CCC[N@H+](Cc1ccc(C#N)cc1O)C2 ZINC001233383962 1304452127 /nfs/dbraw/zinc/45/21/27/1304452127.db2.gz BOVFYRNAGNRGEF-UHFFFAOYSA-N 1 2 340.383 2.043 20 30 EEEDLO CCOC(=O)c1cc2n(n1)CCC[N@@H+](Cc1ccc(C#N)cc1O)C2 ZINC001233383962 1304452131 /nfs/dbraw/zinc/45/21/31/1304452131.db2.gz BOVFYRNAGNRGEF-UHFFFAOYSA-N 1 2 340.383 2.043 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(CCOc3ccccc3)CC2)c(O)c1 ZINC001233386289 1304453770 /nfs/dbraw/zinc/45/37/70/1304453770.db2.gz NSLAXUOSKZHSAC-UHFFFAOYSA-N 1 2 337.423 2.460 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)[C@@H](C)C1 ZINC001112337914 1304469233 /nfs/dbraw/zinc/46/92/33/1304469233.db2.gz IAQMPVUWGFXJFM-JSGCOSHPSA-N 1 2 346.479 2.107 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC1CCCCC1 ZINC001233762885 1304582110 /nfs/dbraw/zinc/58/21/10/1304582110.db2.gz WMAWLFULUXWWKK-GOSISDBHSA-N 1 2 347.503 2.162 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC1CCCCC1 ZINC001233762885 1304582113 /nfs/dbraw/zinc/58/21/13/1304582113.db2.gz WMAWLFULUXWWKK-GOSISDBHSA-N 1 2 347.503 2.162 20 30 EEEDLO CO[C@@H](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001233827354 1304606037 /nfs/dbraw/zinc/60/60/37/1304606037.db2.gz IEEKBNPZUKEQJL-PKOBYXMFSA-N 1 2 328.456 2.386 20 30 EEEDLO CO[C@@H](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001233827354 1304606044 /nfs/dbraw/zinc/60/60/44/1304606044.db2.gz IEEKBNPZUKEQJL-PKOBYXMFSA-N 1 2 328.456 2.386 20 30 EEEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc4c(n3)OCCO4)CC2)c1 ZINC001233894353 1304631496 /nfs/dbraw/zinc/63/14/96/1304631496.db2.gz HEVNGQUKJMWXOC-UHFFFAOYSA-N 1 2 336.395 2.047 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(N)=O ZINC001277828181 1304712419 /nfs/dbraw/zinc/71/24/19/1304712419.db2.gz JHAHQNOOVIXHPF-JJLQDPRZSA-N 1 2 348.244 2.264 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(N)=O ZINC001277828181 1304712423 /nfs/dbraw/zinc/71/24/23/1304712423.db2.gz JHAHQNOOVIXHPF-JJLQDPRZSA-N 1 2 348.244 2.264 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1cnn(C(C)(C)C)c1)C(=O)C#CC1CC1 ZINC001234187368 1304788228 /nfs/dbraw/zinc/78/82/28/1304788228.db2.gz YAIHIZTVQNBDMT-KRWDZBQOSA-N 1 2 328.460 2.084 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1cnn(C(C)(C)C)c1)C(=O)C#CC1CC1 ZINC001234187368 1304788237 /nfs/dbraw/zinc/78/82/37/1304788237.db2.gz YAIHIZTVQNBDMT-KRWDZBQOSA-N 1 2 328.460 2.084 20 30 EEEDLO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234216340 1304804714 /nfs/dbraw/zinc/80/47/14/1304804714.db2.gz VWULGKSXCXJPQJ-RDJZCZTQSA-N 1 2 347.503 2.016 20 30 EEEDLO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234216340 1304804725 /nfs/dbraw/zinc/80/47/25/1304804725.db2.gz VWULGKSXCXJPQJ-RDJZCZTQSA-N 1 2 347.503 2.016 20 30 EEEDLO Cc1nsc(N[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C(C)C)c1C#N 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ZINC001245072924 1310022777 /nfs/dbraw/zinc/02/27/77/1310022777.db2.gz WWQPQHLUYLSVQD-UHFFFAOYSA-N 1 2 327.359 2.470 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@H](C)C1 ZINC001121495625 1310029045 /nfs/dbraw/zinc/02/90/45/1310029045.db2.gz MRSFGBAQTUVPLA-HZPDHXFCSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@H](C)C1 ZINC001121495625 1310029055 /nfs/dbraw/zinc/02/90/55/1310029055.db2.gz MRSFGBAQTUVPLA-HZPDHXFCSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCn1c(C[N@@H+]2CCC[C@@H](O)C2)nnc1Nc1ccc(OC)cc1 ZINC001121634514 1310080608 /nfs/dbraw/zinc/08/06/08/1310080608.db2.gz VJCQQDVOOQTSML-OAHLLOKOSA-N 1 2 343.431 2.173 20 30 EEEDLO C=CCn1c(C[N@H+]2CCC[C@@H](O)C2)nnc1Nc1ccc(OC)cc1 ZINC001121634514 1310080619 /nfs/dbraw/zinc/08/06/19/1310080619.db2.gz VJCQQDVOOQTSML-OAHLLOKOSA-N 1 2 343.431 2.173 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC(OC(C)C)CC1 ZINC001121714843 1310117484 /nfs/dbraw/zinc/11/74/84/1310117484.db2.gz GNYVHEXNBZMTLW-UHFFFAOYSA-N 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ZINC000830334129 1314533250 /nfs/dbraw/zinc/53/32/50/1314533250.db2.gz YIYPWDAPFUECOG-UHFFFAOYSA-N 1 2 327.384 2.198 20 30 EEEDLO N#Cc1nccnc1N1CC[NH+](Cc2cc3ccccc3cn2)CC1 ZINC001139998691 1314796268 /nfs/dbraw/zinc/79/62/68/1314796268.db2.gz AMYLNQQWYMSHIR-UHFFFAOYSA-N 1 2 330.395 2.219 20 30 EEEDLO Cc1ccn(C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c(=O)c1C#N ZINC000840160735 1315313267 /nfs/dbraw/zinc/31/32/67/1315313267.db2.gz SBCYBFQEIKPKIM-GOSISDBHSA-N 1 2 331.416 2.040 20 30 EEEDLO Cc1ccn(C[N@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c(=O)c1C#N ZINC000840160735 1315313269 /nfs/dbraw/zinc/31/32/69/1315313269.db2.gz SBCYBFQEIKPKIM-GOSISDBHSA-N 1 2 331.416 2.040 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+]2CCCO[C@H](CNC(=O)C#CC(C)(C)C)C2)o1 ZINC001149700169 1316019090 /nfs/dbraw/zinc/01/90/90/1316019090.db2.gz GJGMIOLNISFAIC-JKSUJKDBSA-N 1 2 347.459 2.301 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+]2CCCO[C@H](CNC(=O)C#CC(C)(C)C)C2)o1 ZINC001149700169 1316019093 /nfs/dbraw/zinc/01/90/93/1316019093.db2.gz GJGMIOLNISFAIC-JKSUJKDBSA-N 1 2 347.459 2.301 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001150005520 1316125158 /nfs/dbraw/zinc/12/51/58/1316125158.db2.gz IUCNLGAVGQTNNV-XHSDSOJGSA-N 1 2 326.868 2.382 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001150005520 1316125160 /nfs/dbraw/zinc/12/51/60/1316125160.db2.gz IUCNLGAVGQTNNV-XHSDSOJGSA-N 1 2 326.868 2.382 20 30 EEEDLO COCCC1(NC(=O)C#CC(C)C)CC[NH+](Cc2cc(C)on2)CC1 ZINC001151115396 1316452873 /nfs/dbraw/zinc/45/28/73/1316452873.db2.gz SXIUHPBESPJBPW-UHFFFAOYSA-N 1 2 347.459 2.130 20 30 EEEDLO CC[N@H+](Cc1csc(C)n1)[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 ZINC001152794536 1316725406 /nfs/dbraw/zinc/72/54/06/1316725406.db2.gz XARZTLGYADEEKB-LLVKDONJSA-N 1 2 331.445 2.292 20 30 EEEDLO CC[N@@H+](Cc1csc(C)n1)[C@H](C)CNC(=O)c1ccc(C#N)[nH]1 ZINC001152794536 1316725408 /nfs/dbraw/zinc/72/54/08/1316725408.db2.gz XARZTLGYADEEKB-LLVKDONJSA-N 1 2 331.445 2.292 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(C)on1 ZINC001153441561 1316827955 /nfs/dbraw/zinc/82/79/55/1316827955.db2.gz BYWRCTOGKZVDGZ-XYPHTWIQSA-N 1 2 335.448 2.291 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(C)on1 ZINC001153441561 1316827957 /nfs/dbraw/zinc/82/79/57/1316827957.db2.gz BYWRCTOGKZVDGZ-XYPHTWIQSA-N 1 2 335.448 2.291 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1cscn1 ZINC001153433801 1316828056 /nfs/dbraw/zinc/82/80/56/1316828056.db2.gz YWUFUGBBQLQZLC-BMFZPTHFSA-N 1 2 337.489 2.451 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cscn1 ZINC001153433801 1316828059 /nfs/dbraw/zinc/82/80/59/1316828059.db2.gz YWUFUGBBQLQZLC-BMFZPTHFSA-N 1 2 337.489 2.451 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C)cn1 ZINC001153831135 1316895146 /nfs/dbraw/zinc/89/51/46/1316895146.db2.gz XDKVTFCCIMZYOM-MRXNPFEDSA-N 1 2 341.459 2.413 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C)cn1 ZINC001153831135 1316895147 /nfs/dbraw/zinc/89/51/47/1316895147.db2.gz XDKVTFCCIMZYOM-MRXNPFEDSA-N 1 2 341.459 2.413 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H](C)[N@H+](CC)Cc1snnc1C ZINC001153831051 1316895220 /nfs/dbraw/zinc/89/52/20/1316895220.db2.gz RTHIDODKMLCWJZ-CYBMUJFWSA-N 1 2 347.488 2.474 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1snnc1C ZINC001153831051 1316895222 /nfs/dbraw/zinc/89/52/22/1316895222.db2.gz RTHIDODKMLCWJZ-CYBMUJFWSA-N 1 2 347.488 2.474 20 30 EEEDLO Cc1ccnc(N2CC[NH+](Cc3cc4ccc(C#N)cc4[nH]3)CC2)n1 ZINC001249431204 1317086551 /nfs/dbraw/zinc/08/65/51/1317086551.db2.gz YFUNSMTXEKVUAM-UHFFFAOYSA-N 1 2 332.411 2.460 20 30 EEEDLO C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2[nH+]ccn21 ZINC001154525862 1317183128 /nfs/dbraw/zinc/18/31/28/1317183128.db2.gz CCSLBZXQHNYPMB-INIZCTEOSA-N 1 2 349.390 2.405 20 30 EEEDLO CCOc1cc(C)ccc1C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001250180961 1317221384 /nfs/dbraw/zinc/22/13/84/1317221384.db2.gz XEMPIBHMJKCECS-UHFFFAOYSA-N 1 2 337.427 2.378 20 30 EEEDLO C[N@@H+]1CCO[C@@H](CNc2ccc([C@@H](C#N)c3ccccc3F)nn2)C1 ZINC001155198224 1317497596 /nfs/dbraw/zinc/49/75/96/1317497596.db2.gz XMJFHDZWMBZHSV-ZFWWWQNUSA-N 1 2 341.390 2.014 20 30 EEEDLO C[N@H+]1CCO[C@@H](CNc2ccc([C@@H](C#N)c3ccccc3F)nn2)C1 ZINC001155198224 1317497598 /nfs/dbraw/zinc/49/75/98/1317497598.db2.gz XMJFHDZWMBZHSV-ZFWWWQNUSA-N 1 2 341.390 2.014 20 30 EEEDLO C=CCOC[C@H](O)C[NH+]1CC(Oc2cccc(C(F)(F)F)c2)C1 ZINC001252467325 1317607972 /nfs/dbraw/zinc/60/79/72/1317607972.db2.gz XMUFYQUVOPPFRL-CYBMUJFWSA-N 1 2 331.334 2.332 20 30 EEEDLO C=CCOC[C@@H](O)C[N@H+](Cc1ccccc1)C1(C(=O)OCC)CC1 ZINC001252472000 1317610303 /nfs/dbraw/zinc/61/03/03/1317610303.db2.gz LTCHYCVZQNCXGK-KRWDZBQOSA-N 1 2 333.428 2.148 20 30 EEEDLO C=CCOC[C@@H](O)C[N@@H+](Cc1ccccc1)C1(C(=O)OCC)CC1 ZINC001252472000 1317610307 /nfs/dbraw/zinc/61/03/07/1317610307.db2.gz LTCHYCVZQNCXGK-KRWDZBQOSA-N 1 2 333.428 2.148 20 30 EEEDLO Cc1[nH+]c[nH]c1CSCCNC(=O)c1[nH]nc2cc(C#N)ccc21 ZINC001156889137 1318263756 /nfs/dbraw/zinc/26/37/56/1318263756.db2.gz ITOFKHWWVQFYQW-UHFFFAOYSA-N 1 2 340.412 2.129 20 30 EEEDLO CC[C@@H]1C[C@@H]([NH2+][C@@H](CS)C(=O)OC)CCN1C(=O)OC(C)(C)C ZINC001257110442 1318945951 /nfs/dbraw/zinc/94/59/51/1318945951.db2.gz XGQIRFXXUUQRIP-XQQFMLRXSA-N 1 2 346.493 2.226 20 30 EEEDLO COc1cc(N2CCN(c3nc4c(cc3C#N)CCC4)CC2)cc[nH+]1 ZINC001158097823 1319009623 /nfs/dbraw/zinc/00/96/23/1319009623.db2.gz JSVDXVVRILGVNG-UHFFFAOYSA-N 1 2 335.411 2.172 20 30 EEEDLO N#Cc1cnc(Cl)nc1N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001158623796 1319339767 /nfs/dbraw/zinc/33/97/67/1319339767.db2.gz JGMONDQNTLSJLE-NSHDSACASA-N 1 2 327.766 2.311 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NCCC1=CC[N@H+](Cc2cscn2)CC1 ZINC001159979322 1320039480 /nfs/dbraw/zinc/03/94/80/1320039480.db2.gz MCZPEJDDMDKAOX-QGZVFWFLSA-N 1 2 335.473 2.109 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NCCC1=CC[N@@H+](Cc2cscn2)CC1 ZINC001159979322 1320039485 /nfs/dbraw/zinc/03/94/85/1320039485.db2.gz MCZPEJDDMDKAOX-QGZVFWFLSA-N 1 2 335.473 2.109 20 30 EEEDLO CCc1nnc([C@H](C)[N@H+]2CC=C(CCNC(=O)C#CC(C)C)CC2)o1 ZINC001160062464 1320060934 /nfs/dbraw/zinc/06/09/34/1320060934.db2.gz JTMBPVBNNDHNGL-HNNXBMFYSA-N 1 2 344.459 2.491 20 30 EEEDLO CCc1nnc([C@H](C)[N@@H+]2CC=C(CCNC(=O)C#CC(C)C)CC2)o1 ZINC001160062464 1320060938 /nfs/dbraw/zinc/06/09/38/1320060938.db2.gz JTMBPVBNNDHNGL-HNNXBMFYSA-N 1 2 344.459 2.491 20 30 EEEDLO CC(C)(C)C#CC(=O)NCCC1=CC[N@H+](Cc2ncccn2)CC1 ZINC001160084926 1320067217 /nfs/dbraw/zinc/06/72/17/1320067217.db2.gz YNPBVIUFBUMLLM-UHFFFAOYSA-N 1 2 326.444 2.165 20 30 EEEDLO CC(C)(C)C#CC(=O)NCCC1=CC[N@@H+](Cc2ncccn2)CC1 ZINC001160084926 1320067224 /nfs/dbraw/zinc/06/72/24/1320067224.db2.gz YNPBVIUFBUMLLM-UHFFFAOYSA-N 1 2 326.444 2.165 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2nonc2C)CC1 ZINC001160940588 1320324799 /nfs/dbraw/zinc/32/47/99/1320324799.db2.gz DNDHGTYBFHZYDK-KBPBESRZSA-N 1 2 332.448 2.475 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nonc2C)CC1 ZINC001160940588 1320324805 /nfs/dbraw/zinc/32/48/05/1320324805.db2.gz DNDHGTYBFHZYDK-KBPBESRZSA-N 1 2 332.448 2.475 20 30 EEEDLO CCOC(=O)[C@@H]1CCOC[C@@H]1Nc1[nH+]ccc2ccc(C#N)cc21 ZINC001161451083 1320505401 /nfs/dbraw/zinc/50/54/01/1320505401.db2.gz SHJJQCBYBDTTEZ-ZBFHGGJFSA-N 1 2 325.368 2.487 20 30 EEEDLO CC(=O)C=C(C)N=c1[nH]c2ccccc2nc1N1CC[NH+](C)CC1 ZINC001163733347 1321205988 /nfs/dbraw/zinc/20/59/88/1321205988.db2.gz MYRXTFQARNSASV-SEYXRHQNSA-N 1 2 325.416 2.286 20 30 EEEDLO CCn1c(CCCCC#N)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001263018551 1322423406 /nfs/dbraw/zinc/42/34/06/1322423406.db2.gz MBKARNHHBDOYSS-UHFFFAOYSA-N 1 2 339.447 2.256 20 30 EEEDLO C=CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1)c1ccccc1 ZINC001265317595 1323066320 /nfs/dbraw/zinc/06/63/20/1323066320.db2.gz SGCJHDKZTNAVHG-MJGOQNOKSA-N 1 2 338.455 2.471 20 30 EEEDLO C=CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1)c1ccccc1 ZINC001265317595 1323066325 /nfs/dbraw/zinc/06/63/25/1323066325.db2.gz SGCJHDKZTNAVHG-MJGOQNOKSA-N 1 2 338.455 2.471 20 30 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344.419 2.073 20 30 EEEDLO Cc1nnc([C@@H](C)[NH2+]CCN(Cc2ccccc2)C(=O)[C@@H](C)C#N)o1 ZINC001380703047 1381347517 /nfs/dbraw/zinc/34/75/17/1381347517.db2.gz BTHYJELLOKYOIZ-UONOGXRCSA-N 1 2 341.415 2.217 20 30 EEEDLO C[N@H+](CCNC(=O)c1cc(Cl)no1)Cc1ccc(C#N)cc1F ZINC001390844771 1388817415 /nfs/dbraw/zinc/81/74/15/1388817415.db2.gz IQMGYIVCNXZUAD-UHFFFAOYSA-N 1 2 336.754 2.201 20 30 EEEDLO C[N@@H+](CCNC(=O)c1cc(Cl)no1)Cc1ccc(C#N)cc1F ZINC001390844771 1388817419 /nfs/dbraw/zinc/81/74/19/1388817419.db2.gz IQMGYIVCNXZUAD-UHFFFAOYSA-N 1 2 336.754 2.201 20 30 EEEDLO C#CCCCC(=O)NCC[NH+]1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC001752365251 1406287558 /nfs/dbraw/zinc/28/75/58/1406287558.db2.gz VVPPRESCAPMKNX-QGZVFWFLSA-N 1 2 345.462 2.424 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC001394130812 1390626542 /nfs/dbraw/zinc/62/65/42/1390626542.db2.gz QZSHVGUURLYTEA-LBPRGKRZSA-N 1 2 333.823 2.274 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC001394130812 1390626545 /nfs/dbraw/zinc/62/65/45/1390626545.db2.gz QZSHVGUURLYTEA-LBPRGKRZSA-N 1 2 333.823 2.274 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001394269004 1390665490 /nfs/dbraw/zinc/66/54/90/1390665490.db2.gz VDYGBFBEPUGXLH-GFCCVEGCSA-N 1 2 338.883 2.251 20 30 EEEDLO C#CC[NH2+][C@@H](C)C1CCN(C(=O)c2c(Cl)[nH]nc2C2CC2)CC1 ZINC001753274072 1406728500 /nfs/dbraw/zinc/72/85/00/1406728500.db2.gz NXCDTGXDGJHDLT-NSHDSACASA-N 1 2 334.851 2.404 20 30 EEEDLO CC(C)n1ccc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)n1 ZINC001399586471 1395281550 /nfs/dbraw/zinc/28/15/50/1395281550.db2.gz MQUXFLPLEBVBKQ-UHFFFAOYSA-N 1 2 325.416 2.197 20 30 EEEDLO CC(C)n1ccc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)n1 ZINC001399586471 1395281556 /nfs/dbraw/zinc/28/15/56/1395281556.db2.gz MQUXFLPLEBVBKQ-UHFFFAOYSA-N 1 2 325.416 2.197 20 30 EEEDLO C[C@H](C#N)C(=O)NCC[N@H+](Cc1ccn(C2CCCC2)n1)C1CC1 ZINC001399998130 1395788859 /nfs/dbraw/zinc/78/88/59/1395788859.db2.gz PNXHJWPTZZSKOG-CQSZACIVSA-N 1 2 329.448 2.238 20 30 EEEDLO C[C@H](C#N)C(=O)NCC[N@@H+](Cc1ccn(C2CCCC2)n1)C1CC1 ZINC001399998130 1395788865 /nfs/dbraw/zinc/78/88/65/1395788865.db2.gz PNXHJWPTZZSKOG-CQSZACIVSA-N 1 2 329.448 2.238 20 30 EEEDLO CC#CCCCC(=O)NC/C=C\C[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001754158584 1406857448 /nfs/dbraw/zinc/85/74/48/1406857448.db2.gz BYTAOCICTGYFRI-KTKRTIGZSA-N 1 2 332.448 2.323 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1c(C)nc2ccnn2c1C ZINC001401768326 1397559886 /nfs/dbraw/zinc/55/98/86/1397559886.db2.gz WLENVGHOYBOBIU-NSHDSACASA-N 1 2 335.839 2.149 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1c(C)nc2ccnn2c1C ZINC001401768326 1397559890 /nfs/dbraw/zinc/55/98/90/1397559890.db2.gz WLENVGHOYBOBIU-NSHDSACASA-N 1 2 335.839 2.149 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1coc(C2CCOCC2)n1 ZINC001403181752 1398458693 /nfs/dbraw/zinc/45/86/93/1398458693.db2.gz AKRXGWDIJGVKEQ-LBPRGKRZSA-N 1 2 341.839 2.371 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1coc(C2CCOCC2)n1 ZINC001403181752 1398458696 /nfs/dbraw/zinc/45/86/96/1398458696.db2.gz AKRXGWDIJGVKEQ-LBPRGKRZSA-N 1 2 341.839 2.371 20 30 EEEDLO CCc1cnc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C#CC(C)C)o1 ZINC001754866118 1406971944 /nfs/dbraw/zinc/97/19/44/1406971944.db2.gz VERKSUJIETVJPB-IRXDYDNUSA-N 1 2 329.444 2.462 20 30 EEEDLO CCc1cnc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C#CC(C)C)o1 ZINC001754866118 1406971948 /nfs/dbraw/zinc/97/19/48/1406971948.db2.gz VERKSUJIETVJPB-IRXDYDNUSA-N 1 2 329.444 2.462 20 30 EEEDLO O=C(C#CC1CC1)NC[C@@H]1COCC[N@@H+]1CC/C=C/c1ccccc1 ZINC001754967656 1407013648 /nfs/dbraw/zinc/01/36/48/1407013648.db2.gz MHKBWXOFVDDABE-BTZGUFSASA-N 1 2 338.451 2.320 20 30 EEEDLO O=C(C#CC1CC1)NC[C@@H]1COCC[N@H+]1CC/C=C/c1ccccc1 ZINC001754967656 1407013657 /nfs/dbraw/zinc/01/36/57/1407013657.db2.gz MHKBWXOFVDDABE-BTZGUFSASA-N 1 2 338.451 2.320 20 30 EEEDLO C=CCOCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCC13CC3)O2 ZINC001755054191 1407059958 /nfs/dbraw/zinc/05/99/58/1407059958.db2.gz JRDJWWOMPWMPBY-IRXDYDNUSA-N 1 2 348.487 2.119 20 30 EEEDLO Cc1cc(C[NH+]2CC3(C2)C[C@H](NC(=O)C#CC(C)C)CO3)c(C)s1 ZINC001755062522 1407071952 /nfs/dbraw/zinc/07/19/52/1407071952.db2.gz ZCGZKNJBNIELQN-KRWDZBQOSA-N 1 2 346.496 2.484 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2COC3(C[NH+](CCOC4CCC4)C3)C2)CCC1 ZINC001755062989 1407072486 /nfs/dbraw/zinc/07/24/86/1407072486.db2.gz FOIIRFTWTABLCL-MRXNPFEDSA-N 1 2 348.487 2.261 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCNC(=O)C1CCCCC1 ZINC001422566378 1400027468 /nfs/dbraw/zinc/02/74/68/1400027468.db2.gz FFKLZQDPAAXBAQ-CQSZACIVSA-N 1 2 343.899 2.262 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCNC(=O)C1CCCCC1 ZINC001422566378 1400027475 /nfs/dbraw/zinc/02/74/75/1400027475.db2.gz FFKLZQDPAAXBAQ-CQSZACIVSA-N 1 2 343.899 2.262 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1cc(OC)ccc1OC ZINC001422829674 1400214637 /nfs/dbraw/zinc/21/46/37/1400214637.db2.gz UZFVYICUAIEHDU-ZDUSSCGKSA-N 1 2 340.851 2.435 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1cc(OC)ccc1OC ZINC001422829674 1400214640 /nfs/dbraw/zinc/21/46/40/1400214640.db2.gz UZFVYICUAIEHDU-ZDUSSCGKSA-N 1 2 340.851 2.435 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C)no1 ZINC001424687086 1401219559 /nfs/dbraw/zinc/21/95/59/1401219559.db2.gz KUTBCIIALFICJG-LBPRGKRZSA-N 1 2 342.237 2.428 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C)no1 ZINC001424687086 1401219566 /nfs/dbraw/zinc/21/95/66/1401219566.db2.gz KUTBCIIALFICJG-LBPRGKRZSA-N 1 2 342.237 2.428 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[N@@H+](Cc2csc(CC)n2)[C@H](C)C1 ZINC001755161559 1407171096 /nfs/dbraw/zinc/17/10/96/1407171096.db2.gz XUOKDPOPBWLFMU-CABCVRRESA-N 1 2 349.500 2.215 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[N@H+](Cc2csc(CC)n2)[C@H](C)C1 ZINC001755161559 1407171101 /nfs/dbraw/zinc/17/11/01/1407171101.db2.gz XUOKDPOPBWLFMU-CABCVRRESA-N 1 2 349.500 2.215 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](C)Cc1cnnn1-c1ccccc1 ZINC001755310624 1407310256 /nfs/dbraw/zinc/31/02/56/1407310256.db2.gz AYMNEHIEHQZEDG-OAHLLOKOSA-N 1 2 341.459 2.416 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1cnnn1-c1ccccc1 ZINC001755310624 1407310263 /nfs/dbraw/zinc/31/02/63/1407310263.db2.gz AYMNEHIEHQZEDG-OAHLLOKOSA-N 1 2 341.459 2.416 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[N@H+](CC(=O)NCC2CCC2)CC1(C)C ZINC001755414628 1407432169 /nfs/dbraw/zinc/43/21/69/1407432169.db2.gz ZPTJVQQGIICRSG-JXFKEZNVSA-N 1 2 349.519 2.332 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[N@@H+](CC(=O)NCC2CCC2)CC1(C)C ZINC001755414628 1407432171 /nfs/dbraw/zinc/43/21/71/1407432171.db2.gz ZPTJVQQGIICRSG-JXFKEZNVSA-N 1 2 349.519 2.332 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)C1CC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC001755851137 1407902581 /nfs/dbraw/zinc/90/25/81/1407902581.db2.gz SRAUPLDXEFLITP-SCLBCKFNSA-N 1 2 333.480 2.432 20 30 EEEDLO C=CCCC(=O)N1CC([C@H](C)NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001756146717 1408176429 /nfs/dbraw/zinc/17/64/29/1408176429.db2.gz BHTRWXTYBBQUGT-RDJZCZTQSA-N 1 2 346.475 2.400 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001756231139 1408240067 /nfs/dbraw/zinc/24/00/67/1408240067.db2.gz AGZPLCHXDDDIDS-HUUCEWRRSA-N 1 2 332.448 2.242 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001756231139 1408240071 /nfs/dbraw/zinc/24/00/71/1408240071.db2.gz AGZPLCHXDDDIDS-HUUCEWRRSA-N 1 2 332.448 2.242 20 30 EEEDLO C=CCCCC(=O)N(C)C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001756489143 1408813996 /nfs/dbraw/zinc/81/39/96/1408813996.db2.gz VUJANBHHDUGALK-OAHLLOKOSA-N 1 2 334.464 2.246 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001757083138 1409569254 /nfs/dbraw/zinc/56/92/54/1409569254.db2.gz BALAYVMRDGHFGD-BRWVUGGUSA-N 1 2 346.475 2.229 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001757270300 1409604840 /nfs/dbraw/zinc/60/48/40/1409604840.db2.gz FHGKONGTAPCDSJ-LBTNJELSSA-N 1 2 332.448 2.098 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001757288635 1409626739 /nfs/dbraw/zinc/62/67/39/1409626739.db2.gz PAJJNVSAOGKZLK-CQSZACIVSA-N 1 2 346.475 2.349 20 30 EEEDLO C[NH+](C)Cc1ccnc(NS(=O)(=O)c2ccc(CC#N)cc2)c1 ZINC001771615541 1409885535 /nfs/dbraw/zinc/88/55/35/1409885535.db2.gz CHBSGZIBKSBQHS-UHFFFAOYSA-N 1 2 330.413 2.010 20 30 EEEDLO COCCN(CCC#N)c1nnc([C@H]2CCC[N@@H+]2C)n1CC(C)C ZINC001772334306 1410137610 /nfs/dbraw/zinc/13/76/10/1410137610.db2.gz ASZRIOUQTWKVHS-OAHLLOKOSA-N 1 2 334.468 2.067 20 30 EEEDLO COCCN(CCC#N)c1nnc([C@H]2CCC[N@H+]2C)n1CC(C)C ZINC001772334306 1410137616 /nfs/dbraw/zinc/13/76/16/1410137616.db2.gz ASZRIOUQTWKVHS-OAHLLOKOSA-N 1 2 334.468 2.067 20 30 EEEDLO C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)CNc1cccc(F)c1C#N ZINC001103943520 1410767772 /nfs/dbraw/zinc/76/77/72/1410767772.db2.gz LBLXQRBDRNIXEI-LBPRGKRZSA-N 1 2 329.379 2.217 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3nc[nH]c3C2)[C@H]1CC ZINC001087788609 782247173 /nfs/dbraw/zinc/24/71/73/782247173.db2.gz YZAZOGPOJRUDIK-DUVNUKRYSA-N 1 2 336.867 2.236 20 30 EEEDLO 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790322487 /nfs/dbraw/zinc/32/24/87/790322487.db2.gz DVRMRVLHSJVPNR-HUUCEWRRSA-N 1 2 346.475 2.346 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001063192090 790322502 /nfs/dbraw/zinc/32/25/02/790322502.db2.gz DVRMRVLHSJVPNR-HUUCEWRRSA-N 1 2 346.475 2.346 20 30 EEEDLO C[C@H](CCCNc1ccc(C#N)nc1)NC(=O)CCCn1cc[nH+]c1 ZINC001114956783 757707951 /nfs/dbraw/zinc/70/79/51/757707951.db2.gz BXBNVTOQYAWQGR-OAHLLOKOSA-N 1 2 340.431 2.327 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001098574036 760924739 /nfs/dbraw/zinc/92/47/39/760924739.db2.gz XKHKDEVDCRNMDR-GJZGRUSLSA-N 1 2 346.479 2.109 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001112011773 764638869 /nfs/dbraw/zinc/63/88/69/764638869.db2.gz DSHGJULPWBKNNF-CYBMUJFWSA-N 1 2 342.447 2.051 20 30 EEEDLO Cc1cc(NC[C@@H](C)N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)c(C#N)cn1 ZINC001104866073 765466210 /nfs/dbraw/zinc/46/62/10/765466210.db2.gz RJCFOPLJNMZCKL-CYBMUJFWSA-N 1 2 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C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)C1CC(OCC)C1 ZINC001027862471 773696856 /nfs/dbraw/zinc/69/68/56/773696856.db2.gz QFLPPKAYFVTPCB-MOKVOYLWSA-N 1 2 345.281 2.291 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ncc(C)o1 ZINC001027937106 774702987 /nfs/dbraw/zinc/70/29/87/774702987.db2.gz PJXOOAICLDVSOA-HNNXBMFYSA-N 1 2 328.416 2.365 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncc(C)o1 ZINC001027937106 774702992 /nfs/dbraw/zinc/70/29/92/774702992.db2.gz PJXOOAICLDVSOA-HNNXBMFYSA-N 1 2 328.416 2.365 20 30 EEEDLO Cc1nc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)c(C)s1 ZINC001031763015 775130639 /nfs/dbraw/zinc/13/06/39/775130639.db2.gz FCDMJBYEUAMKRL-UHFFFAOYSA-N 1 2 340.452 2.493 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@@H]1CN(C)c1[nH+]cnc2c1cnn2C ZINC001089785181 775201880 /nfs/dbraw/zinc/20/18/80/775201880.db2.gz YHGFZCBPOVQQOC-CQSZACIVSA-N 1 2 342.447 2.147 20 30 EEEDLO CO[C@@H]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001031790624 775708512 /nfs/dbraw/zinc/70/85/12/775708512.db2.gz 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C[C@](O)(CC(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1)C1CC1 ZINC000981000065 776299908 /nfs/dbraw/zinc/29/99/08/776299908.db2.gz SSDDPLWCRAZUQV-FQEVSTJZSA-N 1 2 341.455 2.144 20 30 EEEDLO N#Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)c[nH]1 ZINC000981002090 776302610 /nfs/dbraw/zinc/30/26/10/776302610.db2.gz XPXQGRXAGVGVHK-UHFFFAOYSA-N 1 2 339.424 2.168 20 30 EEEDLO N#Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)c[nH]1 ZINC000981002090 776302615 /nfs/dbraw/zinc/30/26/15/776302615.db2.gz XPXQGRXAGVGVHK-UHFFFAOYSA-N 1 2 339.424 2.168 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091369076 790464477 /nfs/dbraw/zinc/46/44/77/790464477.db2.gz JSMABOKXBCHPIO-FMKPAKJESA-N 1 2 342.443 2.007 20 30 EEEDLO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001028070310 776981161 /nfs/dbraw/zinc/98/11/61/776981161.db2.gz ZCZQNSFWAYFEIY-INIZCTEOSA-N 1 2 325.416 2.242 20 30 EEEDLO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001028070310 776981167 /nfs/dbraw/zinc/98/11/67/776981167.db2.gz ZCZQNSFWAYFEIY-INIZCTEOSA-N 1 2 325.416 2.242 20 30 EEEDLO C=C(Br)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC000981315940 777142963 /nfs/dbraw/zinc/14/29/63/777142963.db2.gz SDPVTGYWVCHZAT-VHSXEESVSA-N 1 2 345.216 2.088 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2c[nH]c(Br)c2)C1 ZINC001031854140 777524108 /nfs/dbraw/zinc/52/41/08/777524108.db2.gz UNVGGZRSBZOLAD-UHFFFAOYSA-N 1 2 332.629 2.191 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc(F)c[nH]2)CC1 ZINC000981635162 777858450 /nfs/dbraw/zinc/85/84/50/777858450.db2.gz ULYWDLXVQSMDEE-UHFFFAOYSA-N 1 2 326.375 2.374 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc(F)c[nH]2)CC1 ZINC000981635162 777858459 /nfs/dbraw/zinc/85/84/59/777858459.db2.gz ULYWDLXVQSMDEE-UHFFFAOYSA-N 1 2 326.375 2.374 20 30 EEEDLO COc1ccnc(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)c1 ZINC000981733789 778130193 /nfs/dbraw/zinc/13/01/93/778130193.db2.gz MPLLVLKYJJXSSA-UHFFFAOYSA-N 1 2 349.434 2.290 20 30 EEEDLO COc1ccnc(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)c1 ZINC000981733789 778130195 /nfs/dbraw/zinc/13/01/95/778130195.db2.gz MPLLVLKYJJXSSA-UHFFFAOYSA-N 1 2 349.434 2.290 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1)C(C)C ZINC000981878823 778453025 /nfs/dbraw/zinc/45/30/25/778453025.db2.gz YNYHMLPPGXOWAC-GOSISDBHSA-N 1 2 347.434 2.403 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1)C(C)C ZINC000981878823 778453030 /nfs/dbraw/zinc/45/30/30/778453030.db2.gz YNYHMLPPGXOWAC-GOSISDBHSA-N 1 2 347.434 2.403 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnc(-n3cccn3)c2)[C@H]1C ZINC001088847704 790627757 /nfs/dbraw/zinc/62/77/57/790627757.db2.gz ILDACXBJPKOULC-HIFRSBDPSA-N 1 2 345.834 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(-n3cccn3)c2)[C@H]1C ZINC001088847704 790627768 /nfs/dbraw/zinc/62/77/68/790627768.db2.gz ILDACXBJPKOULC-HIFRSBDPSA-N 1 2 345.834 2.212 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[N@@H+](Cc3cnc(OC)nc3C)CC2)C1 ZINC000981918268 778530030 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C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2csc(C)n2)nc1 ZINC001028271183 779845996 /nfs/dbraw/zinc/84/59/96/779845996.db2.gz AZAOKVXZFGIPTB-INIZCTEOSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2csc(C)n2)nc1 ZINC001028271183 779845998 /nfs/dbraw/zinc/84/59/98/779845998.db2.gz AZAOKVXZFGIPTB-INIZCTEOSA-N 1 2 340.452 2.222 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CC[C@@H](F)C1 ZINC001031929135 779951908 /nfs/dbraw/zinc/95/19/08/779951908.db2.gz BTVLFPMEBIAKES-SJLPKXTDSA-N 1 2 332.394 2.363 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@@H](F)C3)C2)c(F)c1 ZINC001031930082 780021552 /nfs/dbraw/zinc/02/15/52/780021552.db2.gz SFWJFMIEWLUGQV-GDBMZVCRSA-N 1 2 333.382 2.384 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC(C)C3)[C@@H]2C1 ZINC001075673177 781045434 /nfs/dbraw/zinc/04/54/34/781045434.db2.gz WXVAQXUEPJUPMT-VNTMFLPRSA-N 1 2 327.266 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC(C)C3)[C@@H]2C1 ZINC001075673177 781045440 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784381842 /nfs/dbraw/zinc/38/18/42/784381842.db2.gz FUJVPPGDZLBZMH-ZDUSSCGKSA-N 1 2 340.345 2.217 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnc3ccsc3c2)C1 ZINC001035468597 784593957 /nfs/dbraw/zinc/59/39/57/784593957.db2.gz XWIRSZHKOGMFIS-AWEZNQCLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnc3ccsc3c2)C1 ZINC001035468597 784593960 /nfs/dbraw/zinc/59/39/60/784593960.db2.gz XWIRSZHKOGMFIS-AWEZNQCLSA-N 1 2 331.441 2.303 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1OC ZINC001212187544 791040556 /nfs/dbraw/zinc/04/05/56/791040556.db2.gz YCEAXXNYMWYIHV-IAGOWNOFSA-N 1 2 336.382 2.084 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1OC ZINC001212187544 791040568 /nfs/dbraw/zinc/04/05/68/791040568.db2.gz YCEAXXNYMWYIHV-IAGOWNOFSA-N 1 2 336.382 2.084 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)c(Cl)cc2F)C1 ZINC001035495258 784630334 /nfs/dbraw/zinc/63/03/34/784630334.db2.gz HVXWDPNTIHELNR-JTQLQIEISA-N 1 2 330.762 2.235 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(F)c(Cl)cc2F)C1 ZINC001035495258 784630336 /nfs/dbraw/zinc/63/03/36/784630336.db2.gz HVXWDPNTIHELNR-JTQLQIEISA-N 1 2 330.762 2.235 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCOC[C@@H]1C)CC2 ZINC001035788604 785131063 /nfs/dbraw/zinc/13/10/63/785131063.db2.gz FWVRSDWXCSXTJY-ZFWWWQNUSA-N 1 2 326.868 2.336 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(C)[nH]c1=O)CC2 ZINC001035803322 785194641 /nfs/dbraw/zinc/19/46/41/785194641.db2.gz AQQQKLCZEWEEFE-UHFFFAOYSA-N 1 2 335.835 2.386 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091540465 791091662 /nfs/dbraw/zinc/09/16/62/791091662.db2.gz FDJAHEUEIUQJAV-VNQPRFMTSA-N 1 2 332.448 2.463 20 30 EEEDLO C=C[C@@H]1C[C@]1(Nc1ccc(-n2c[nH+]c(C)c2C)nn1)C(=O)OCC ZINC001170921333 785406382 /nfs/dbraw/zinc/40/63/82/785406382.db2.gz BPQZURKLGVCBBT-CXAGYDPISA-N 1 2 327.388 2.199 20 30 EEEDLO N#C[C@@H]1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CCN1C1CC1 ZINC000819879604 785695597 /nfs/dbraw/zinc/69/55/97/785695597.db2.gz RWMDXDIXVHSGKI-QZTJIDSGSA-N 1 2 349.438 2.130 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@]3(C)CCC[C@H]3CC)nn2)C1 ZINC001107182740 786242843 /nfs/dbraw/zinc/24/28/43/786242843.db2.gz ZCSROLPWKNQFMG-RDTXWAMCSA-N 1 2 331.464 2.153 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C3(CCC)CCC3)nn2)C1 ZINC001107197772 786357075 /nfs/dbraw/zinc/35/70/75/786357075.db2.gz IBLHUSGXNKSOOF-UHFFFAOYSA-N 1 2 331.464 2.298 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@]3(C)CC[C@H](C)C3(C)C)nn2)C1 ZINC001107217225 786468385 /nfs/dbraw/zinc/46/83/85/786468385.db2.gz BZEYIGIKLOMHAY-LIRRHRJNSA-N 1 2 345.491 2.399 20 30 EEEDLO Cc1nc(NC/C=C/CNC(=O)c2cccc3[nH+]ccn32)ccc1C#N ZINC001107411114 787183005 /nfs/dbraw/zinc/18/30/05/787183005.db2.gz FVNZNGLCHQRENO-NSCUHMNNSA-N 1 2 346.394 2.308 20 30 EEEDLO CC(C)n1c[nH+]cc1CN[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000822470722 787222469 /nfs/dbraw/zinc/22/24/69/787222469.db2.gz XVSRGQXUEXKLBS-HIFRSBDPSA-N 1 2 333.436 2.313 20 30 EEEDLO Cc1nc(N(C)C[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001062096404 787378394 /nfs/dbraw/zinc/37/83/94/787378394.db2.gz LFQAORGBYGPEAB-ZFWWWQNUSA-N 1 2 341.459 2.108 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(OC)n1 ZINC001109634818 805783504 /nfs/dbraw/zinc/78/35/04/805783504.db2.gz YPNUWBDQNBKRIU-SIXLDLHFSA-N 1 2 344.459 2.309 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(OC)n1 ZINC001109634818 805783512 /nfs/dbraw/zinc/78/35/12/805783512.db2.gz YPNUWBDQNBKRIU-SIXLDLHFSA-N 1 2 344.459 2.309 20 30 EEEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001062244813 787690236 /nfs/dbraw/zinc/69/02/36/787690236.db2.gz WXQFEEOTQBWEHZ-NVXWUHKLSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001062244813 787690241 /nfs/dbraw/zinc/69/02/41/787690241.db2.gz WXQFEEOTQBWEHZ-NVXWUHKLSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(C)C1CC(Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001127047290 787805148 /nfs/dbraw/zinc/80/51/48/787805148.db2.gz LFXVCPPGXCNJTI-GRTSSRMGSA-N 1 2 346.479 2.250 20 30 EEEDLO C#CCCCCCC(=O)NC[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001062325707 787894829 /nfs/dbraw/zinc/89/48/29/787894829.db2.gz UJSCYKHXMGGIDL-MRXNPFEDSA-N 1 2 344.459 2.033 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001062331476 787906236 /nfs/dbraw/zinc/90/62/36/787906236.db2.gz RWOCKSPNIZWYHS-MRXNPFEDSA-N 1 2 346.475 2.206 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(F)cc2C)[C@H](O)C1 ZINC001090745345 788022854 /nfs/dbraw/zinc/02/28/54/788022854.db2.gz AOEVAKOAUXTIRZ-LSDHHAIUSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2C)[C@H](O)C1 ZINC001090745345 788022861 /nfs/dbraw/zinc/02/28/61/788022861.db2.gz AOEVAKOAUXTIRZ-LSDHHAIUSA-N 1 2 326.799 2.052 20 30 EEEDLO C=CCCC(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107799493 788443380 /nfs/dbraw/zinc/44/33/80/788443380.db2.gz GDBNJMCOZKCTEC-IBGZPJMESA-N 1 2 327.428 2.232 20 30 EEEDLO C=CCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107799493 788443383 /nfs/dbraw/zinc/44/33/83/788443383.db2.gz GDBNJMCOZKCTEC-IBGZPJMESA-N 1 2 327.428 2.232 20 30 EEEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@H+](Cc2cnccc2C)CCO1 ZINC001108169810 788684574 /nfs/dbraw/zinc/68/45/74/788684574.db2.gz XOTAYJJOLPYUCT-IBGZPJMESA-N 1 2 331.460 2.453 20 30 EEEDLO C=CCCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2cnccc2C)CCO1 ZINC001108169810 788684577 /nfs/dbraw/zinc/68/45/77/788684577.db2.gz XOTAYJJOLPYUCT-IBGZPJMESA-N 1 2 331.460 2.453 20 30 EEEDLO N#Cc1ccc(NC(=O)[C@@H]2[C@@H](O)CC[N@@H+]2Cc2ccccc2)c(C#N)c1 ZINC001143678334 788738563 /nfs/dbraw/zinc/73/85/63/788738563.db2.gz UDIYEVCQZNFVPW-OALUTQOASA-N 1 2 346.390 2.004 20 30 EEEDLO N#Cc1ccc(NC(=O)[C@@H]2[C@@H](O)CC[N@H+]2Cc2ccccc2)c(C#N)c1 ZINC001143678334 788738565 /nfs/dbraw/zinc/73/85/65/788738565.db2.gz UDIYEVCQZNFVPW-OALUTQOASA-N 1 2 346.390 2.004 20 30 EEEDLO CC(C)COC[C@@H]1C[N@H+](Cc2cncc(C#N)c2)Cc2ncn(C)c21 ZINC001144075850 789212120 /nfs/dbraw/zinc/21/21/20/789212120.db2.gz UHZFUYXQVDBTKG-KRWDZBQOSA-N 1 2 339.443 2.459 20 30 EEEDLO CC(C)COC[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)Cc2ncn(C)c21 ZINC001144075850 789212124 /nfs/dbraw/zinc/21/21/24/789212124.db2.gz UHZFUYXQVDBTKG-KRWDZBQOSA-N 1 2 339.443 2.459 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001090971740 789225106 /nfs/dbraw/zinc/22/51/06/789225106.db2.gz CRTMZSDEFDDNPS-KPAZRMRSSA-N 1 2 344.459 2.248 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1oc(C)nc1C ZINC001032411106 789260063 /nfs/dbraw/zinc/26/00/63/789260063.db2.gz IGXVEFGQJBKTTH-NXOAAHMSSA-N 1 2 345.443 2.058 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1oc(C)nc1C ZINC001032411106 789260070 /nfs/dbraw/zinc/26/00/70/789260070.db2.gz IGXVEFGQJBKTTH-NXOAAHMSSA-N 1 2 345.443 2.058 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)COCCCCCC)CC2)C1 ZINC001105733468 789304702 /nfs/dbraw/zinc/30/47/02/789304702.db2.gz BNSBWVSQKSPJCO-UHFFFAOYSA-N 1 2 338.492 2.461 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCC ZINC001109769827 805953843 /nfs/dbraw/zinc/95/38/43/805953843.db2.gz WVCQKXGFTCWFIU-PMPSAXMXSA-N 1 2 335.492 2.227 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCC ZINC001109769827 805953849 /nfs/dbraw/zinc/95/38/49/805953849.db2.gz WVCQKXGFTCWFIU-PMPSAXMXSA-N 1 2 335.492 2.227 20 30 EEEDLO CS(=O)(=O)c1cncc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c1 ZINC001171184508 789798299 /nfs/dbraw/zinc/79/82/99/789798299.db2.gz MFVDWCRBXPKMSD-UHFFFAOYSA-N 1 2 341.392 2.381 20 30 EEEDLO C#CCOCCC(=O)NCCN(CCC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001101185195 789806827 /nfs/dbraw/zinc/80/68/27/789806827.db2.gz PYFLHKKGWZZDMH-UHFFFAOYSA-N 1 2 344.459 2.035 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079042205 789900200 /nfs/dbraw/zinc/90/02/00/789900200.db2.gz WMBYXZOIGHHRIF-NVXWUHKLSA-N 1 2 346.475 2.394 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001063060064 790167828 /nfs/dbraw/zinc/16/78/28/790167828.db2.gz NTGLBHKAZYUARR-HNNXBMFYSA-N 1 2 325.416 2.123 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC001109821050 806043380 /nfs/dbraw/zinc/04/33/80/806043380.db2.gz VOYCIAUGLBRPKW-MRXNPFEDSA-N 1 2 341.390 2.360 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2c(C)cccc2C)C1 ZINC001107977021 791679706 /nfs/dbraw/zinc/67/97/06/791679706.db2.gz ZPQHXTBYXNLHRJ-HXUWFJFHSA-N 1 2 328.456 2.076 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2c(C)cccc2C)C1 ZINC001107977021 791679712 /nfs/dbraw/zinc/67/97/12/791679712.db2.gz ZPQHXTBYXNLHRJ-HXUWFJFHSA-N 1 2 328.456 2.076 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088962106 791757766 /nfs/dbraw/zinc/75/77/66/791757766.db2.gz NBAXGDQHWPJUSD-WBMJQRKESA-N 1 2 342.374 2.387 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088962106 791757770 /nfs/dbraw/zinc/75/77/70/791757770.db2.gz NBAXGDQHWPJUSD-WBMJQRKESA-N 1 2 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Cc1nc(C[N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)oc1C ZINC000993206946 795919116 /nfs/dbraw/zinc/91/91/16/795919116.db2.gz ULTWRDFVXNUKAL-LRDDRELGSA-N 1 2 341.415 2.274 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)oc1C ZINC000993206946 795919125 /nfs/dbraw/zinc/91/91/25/795919125.db2.gz ULTWRDFVXNUKAL-LRDDRELGSA-N 1 2 341.415 2.274 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3cccn3)n2)C1 ZINC001080427915 795967519 /nfs/dbraw/zinc/96/75/19/795967519.db2.gz GFBCQRXWFGHONI-IUODEOHRSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3cccn3)n2)C1 ZINC001080427915 795967523 /nfs/dbraw/zinc/96/75/23/795967523.db2.gz GFBCQRXWFGHONI-IUODEOHRSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C3CCC4(CC4)CC3)nn2)C1 ZINC001094305233 796074140 /nfs/dbraw/zinc/07/41/40/796074140.db2.gz VBBDEGFDLRNLFT-UHFFFAOYSA-N 1 2 343.475 2.298 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3CCCC[C@H]3C)nn2)C1 ZINC001094314040 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C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C)CCCCCC)C2)nn1 ZINC001098751159 798684282 /nfs/dbraw/zinc/68/42/82/798684282.db2.gz IXMZAYCPJSFMPG-FUHWJXTLSA-N 1 2 345.491 2.381 20 30 EEEDLO CC(C)C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1cccc(CC#N)c1 ZINC000922027074 798699486 /nfs/dbraw/zinc/69/94/86/798699486.db2.gz URXHEQUMQQJQNN-MRXNPFEDSA-N 1 2 335.473 2.103 20 30 EEEDLO CC(C)C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cccc(CC#N)c1 ZINC000922027074 798699487 /nfs/dbraw/zinc/69/94/87/798699487.db2.gz URXHEQUMQQJQNN-MRXNPFEDSA-N 1 2 335.473 2.103 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC3(C)CC3)C[C@@H]21 ZINC001177126264 798740151 /nfs/dbraw/zinc/74/01/51/798740151.db2.gz XNKIBYSBIHNSID-IRXDYDNUSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC3(C)CC3)C[C@@H]21 ZINC001177126264 798740154 /nfs/dbraw/zinc/74/01/54/798740154.db2.gz XNKIBYSBIHNSID-IRXDYDNUSA-N 1 2 336.476 2.071 20 30 EEEDLO Cc1nc(N2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)c(C)c(C)[nH+]1 ZINC001065230614 798796351 /nfs/dbraw/zinc/79/63/51/798796351.db2.gz XCORUHYZKOBTSG-GOSISDBHSA-N 1 2 338.415 2.000 20 30 EEEDLO C[C@H](c1ccccc1)[N@@H+]1CCn2ncc(CNC(=O)C#CC3CC3)c2C1 ZINC001128347212 798992223 /nfs/dbraw/zinc/99/22/23/798992223.db2.gz PWKWIJCFPOSHLP-MRXNPFEDSA-N 1 2 348.450 2.490 20 30 EEEDLO C[C@H](c1ccccc1)[N@H+]1CCn2ncc(CNC(=O)C#CC3CC3)c2C1 ZINC001128347212 798992225 /nfs/dbraw/zinc/99/22/25/798992225.db2.gz PWKWIJCFPOSHLP-MRXNPFEDSA-N 1 2 348.450 2.490 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC001065683426 799340376 /nfs/dbraw/zinc/34/03/76/799340376.db2.gz ZOFPNUHWGGGDGA-SFHVURJKSA-N 1 2 341.455 2.012 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C3(C)CC3)C2)CC1 ZINC001065706304 799356235 /nfs/dbraw/zinc/35/62/35/799356235.db2.gz IVPFVWUQDPNONU-DLBZAZTESA-N 1 2 347.503 2.134 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@H](C)C(C)C)CC2)C1 ZINC001065707334 799356925 /nfs/dbraw/zinc/35/69/25/799356925.db2.gz SLSYILQBACFNPY-MSOLQXFVSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H](C)CCC)CC2)C1 ZINC001065691729 799366565 /nfs/dbraw/zinc/36/65/65/799366565.db2.gz LMLDINKHBVRXHI-DLBZAZTESA-N 1 2 335.492 2.134 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C=C3CCC3)C2)CC1 ZINC001065700044 799388627 /nfs/dbraw/zinc/38/86/27/799388627.db2.gz QSQSAFGTTLHFAH-GOSISDBHSA-N 1 2 345.487 2.198 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC001065712053 799409536 /nfs/dbraw/zinc/40/95/36/799409536.db2.gz UFPQIZYKMSHBAN-JVNVAKMFSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H](C)C(C)C)CC2)C1 ZINC001065713042 799412049 /nfs/dbraw/zinc/41/20/49/799412049.db2.gz KNTMYLANLIFRLT-ZWKOTPCHSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)C3(C)CC=CC3)C2)CC1 ZINC001065713087 799413206 /nfs/dbraw/zinc/41/32/06/799413206.db2.gz LOBTYAWPNOQQRM-KRWDZBQOSA-N 1 2 345.487 2.054 20 30 EEEDLO C[C@H](Nc1cccc(F)c1C#N)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001065781580 799538749 /nfs/dbraw/zinc/53/87/49/799538749.db2.gz YRMIELDESJNQEJ-QWHCGFSZSA-N 1 2 341.390 2.312 20 30 EEEDLO Cc1[nH+]c[nH]c1CSCCNC(=O)C#Cc1ccc(F)cc1F ZINC001178574051 799538879 /nfs/dbraw/zinc/53/88/79/799538879.db2.gz QBBIEZQECAVKQY-UHFFFAOYSA-N 1 2 335.379 2.397 20 30 EEEDLO C#CCCCCCC(=O)N1CC[C@H]([NH2+]Cc2nnc(CC)o2)[C@@H]1C ZINC001179313801 799848161 /nfs/dbraw/zinc/84/81/61/799848161.db2.gz LIYHJZOYEBQTSI-GJZGRUSLSA-N 1 2 332.448 2.295 20 30 EEEDLO C[C@H](CNc1cccc(F)c1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001108200348 799862866 /nfs/dbraw/zinc/86/28/66/799862866.db2.gz KBBRYIAYAQUCCJ-IJLUTSLNSA-N 1 2 327.363 2.141 20 30 EEEDLO C[C@H](CNc1cccc(F)c1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001108200348 799862872 /nfs/dbraw/zinc/86/28/72/799862872.db2.gz KBBRYIAYAQUCCJ-IJLUTSLNSA-N 1 2 327.363 2.141 20 30 EEEDLO CC#CCCCC(=O)N1CC[C@H]([NH2+]Cc2nc(C(F)F)no2)[C@@H]1C ZINC001179360215 799896398 /nfs/dbraw/zinc/89/63/98/799896398.db2.gz PVGDJIHEHWFUNE-RYUDHWBXSA-N 1 2 340.374 2.280 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2nnn(C(C)(C)C)n2)[C@@H]1C ZINC001179384867 799911987 /nfs/dbraw/zinc/91/19/87/799911987.db2.gz ZBZHHQOCRBXOGG-ILXRZTDVSA-N 1 2 348.495 2.109 20 30 EEEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001032993628 800687299 /nfs/dbraw/zinc/68/72/99/800687299.db2.gz XLBDWRNEYURGNL-CQSZACIVSA-N 1 2 343.818 2.281 20 30 EEEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001032993628 800687302 /nfs/dbraw/zinc/68/73/02/800687302.db2.gz XLBDWRNEYURGNL-CQSZACIVSA-N 1 2 343.818 2.281 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1cc(C2CC2)no1)C(=O)c1cc(C#N)c[nH]1 ZINC001085534173 800719351 /nfs/dbraw/zinc/71/93/51/800719351.db2.gz CZWLPCMQXTYKRO-CQSZACIVSA-N 1 2 339.399 2.098 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1cc(C2CC2)no1)C(=O)c1cc(C#N)c[nH]1 ZINC001085534173 800719354 /nfs/dbraw/zinc/71/93/54/800719354.db2.gz CZWLPCMQXTYKRO-CQSZACIVSA-N 1 2 339.399 2.098 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCN2c2nc(C)[nH+]c(C)c2C)nc1 ZINC001061373360 800738486 /nfs/dbraw/zinc/73/84/86/800738486.db2.gz BEJWFLIGBWDJLT-QGZVFWFLSA-N 1 2 349.438 2.177 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1ccc(C#N)[nH]1 ZINC001085553623 800754825 /nfs/dbraw/zinc/75/48/25/800754825.db2.gz RCWMXBDMZCFISX-SFHVURJKSA-N 1 2 332.407 2.084 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)c1ccc(C#N)[nH]1 ZINC001085553623 800754833 /nfs/dbraw/zinc/75/48/33/800754833.db2.gz RCWMXBDMZCFISX-SFHVURJKSA-N 1 2 332.407 2.084 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001085573007 800804516 /nfs/dbraw/zinc/80/45/16/800804516.db2.gz KXBJOYJKGYCELY-PMPSAXMXSA-N 1 2 333.382 2.492 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001085573007 800804519 /nfs/dbraw/zinc/80/45/19/800804519.db2.gz KXBJOYJKGYCELY-PMPSAXMXSA-N 1 2 333.382 2.492 20 30 EEEDLO Cc1cn(C)nc1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085593029 800845816 /nfs/dbraw/zinc/84/58/16/800845816.db2.gz ZIKNGVGRKYEXFD-ZDUSSCGKSA-N 1 2 343.456 2.008 20 30 EEEDLO Cc1cn(C)nc1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085593029 800845823 /nfs/dbraw/zinc/84/58/23/800845823.db2.gz ZIKNGVGRKYEXFD-ZDUSSCGKSA-N 1 2 343.456 2.008 20 30 EEEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC001033022632 800888334 /nfs/dbraw/zinc/88/83/34/800888334.db2.gz IIMDVVXSODRJQM-LBPRGKRZSA-N 1 2 327.215 2.352 20 30 EEEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001033022632 800888342 /nfs/dbraw/zinc/88/83/42/800888342.db2.gz IIMDVVXSODRJQM-LBPRGKRZSA-N 1 2 327.215 2.352 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2c[nH]cc2C)CC1 ZINC001004136819 801050678 /nfs/dbraw/zinc/05/06/78/801050678.db2.gz TVYCJOMFIZGEJF-UHFFFAOYSA-N 1 2 326.238 2.426 20 30 EEEDLO O=C([C@@H]1CCCc2[nH]ncc21)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001182590099 801258692 /nfs/dbraw/zinc/25/86/92/801258692.db2.gz LVNWWWPTIHXMEE-QZTJIDSGSA-N 1 2 348.450 2.072 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2cc(C)ns2)c1 ZINC001085809730 801330108 /nfs/dbraw/zinc/33/01/08/801330108.db2.gz MKMDHZRPAIAIQP-INIZCTEOSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2cc(C)ns2)c1 ZINC001085809730 801330115 /nfs/dbraw/zinc/33/01/15/801330115.db2.gz MKMDHZRPAIAIQP-INIZCTEOSA-N 1 2 340.452 2.174 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(COC)no2)C1 ZINC001182841893 801372567 /nfs/dbraw/zinc/37/25/67/801372567.db2.gz XGWIPJFNXODNPB-UKRRQHHQSA-N 1 2 348.447 2.236 20 30 EEEDLO C=C(C)[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ncc(CC)o2)C1)OCC ZINC001182953966 801406296 /nfs/dbraw/zinc/40/62/96/801406296.db2.gz MSHBFMZLOJINOA-ZBFHGGJFSA-N 1 2 335.448 2.299 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC(O)C2)CC1 ZINC001182927218 801412279 /nfs/dbraw/zinc/41/22/79/801412279.db2.gz MGRGXTRMXOVBJY-UHFFFAOYSA-N 1 2 334.847 2.063 20 30 EEEDLO C#CCC1(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nnc(CC)o3)C2)CCC1 ZINC001183199788 801523351 /nfs/dbraw/zinc/52/33/51/801523351.db2.gz GELAEZIBCNPOOB-UONOGXRCSA-N 1 2 330.432 2.077 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001033088365 801551389 /nfs/dbraw/zinc/55/13/89/801551389.db2.gz LKRJILVQPPWTLF-ZACQAIPSSA-N 1 2 347.459 2.305 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001033088365 801551395 /nfs/dbraw/zinc/55/13/95/801551395.db2.gz LKRJILVQPPWTLF-ZACQAIPSSA-N 1 2 347.459 2.305 20 30 EEEDLO N#Cc1cnccc1N1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001061478378 801733098 /nfs/dbraw/zinc/73/30/98/801733098.db2.gz WEGLYJSOIUYAMC-HNNXBMFYSA-N 1 2 346.394 2.228 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001066348469 801741410 /nfs/dbraw/zinc/74/14/10/801741410.db2.gz WOIANDSVBMBPAX-MRXNPFEDSA-N 1 2 332.448 2.127 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCOC1 ZINC001183839199 801766719 /nfs/dbraw/zinc/76/67/19/801766719.db2.gz SOMQMJVWUMGLEO-YJBOKZPZSA-N 1 2 327.428 2.065 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCOC1 ZINC001183839199 801766725 /nfs/dbraw/zinc/76/67/25/801766725.db2.gz SOMQMJVWUMGLEO-YJBOKZPZSA-N 1 2 327.428 2.065 20 30 EEEDLO Cc1ccn(C[C@@H](C)C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004452922 802085160 /nfs/dbraw/zinc/08/51/60/802085160.db2.gz VCFJAADVLJBLCH-QAPCUYQASA-N 1 2 343.475 2.054 20 30 EEEDLO Cc1ccn(C[C@@H](C)C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004452922 802085168 /nfs/dbraw/zinc/08/51/68/802085168.db2.gz VCFJAADVLJBLCH-QAPCUYQASA-N 1 2 343.475 2.054 20 30 EEEDLO COc1cnc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)c(F)c1 ZINC001004459336 802126223 /nfs/dbraw/zinc/12/62/23/802126223.db2.gz PMUJKHCGVJTVCU-MRXNPFEDSA-N 1 2 346.406 2.069 20 30 EEEDLO COc1cnc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c(F)c1 ZINC001004459336 802126226 /nfs/dbraw/zinc/12/62/26/802126226.db2.gz PMUJKHCGVJTVCU-MRXNPFEDSA-N 1 2 346.406 2.069 20 30 EEEDLO N#Cc1c(Cl)cc(C(=O)N2CCc3[nH+]ccn3CC2)nc1Cl ZINC001184801120 802196097 /nfs/dbraw/zinc/19/60/97/802196097.db2.gz OFYJAJIFDOISQX-UHFFFAOYSA-N 1 2 336.182 2.155 20 30 EEEDLO Cc1c(Cl)c(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)nn1C ZINC001004569051 802388258 /nfs/dbraw/zinc/38/82/58/802388258.db2.gz OXFASGPSHKDZEA-CQSZACIVSA-N 1 2 349.866 2.222 20 30 EEEDLO Cc1c(Cl)c(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)nn1C ZINC001004569051 802388270 /nfs/dbraw/zinc/38/82/70/802388270.db2.gz OXFASGPSHKDZEA-CQSZACIVSA-N 1 2 349.866 2.222 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001066430199 802391364 /nfs/dbraw/zinc/39/13/64/802391364.db2.gz ZJFBMCNPJNXUKJ-LSDHHAIUSA-N 1 2 332.448 2.052 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC001004588648 802407921 /nfs/dbraw/zinc/40/79/21/802407921.db2.gz BCWRIEGMQALGQX-QGZVFWFLSA-N 1 2 341.459 2.060 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC001004588648 802407925 /nfs/dbraw/zinc/40/79/25/802407925.db2.gz BCWRIEGMQALGQX-QGZVFWFLSA-N 1 2 341.459 2.060 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]([NH2+]Cc2nnc([C@@H]3CCCOC3)o2)C1 ZINC001185304760 802451194 /nfs/dbraw/zinc/45/11/94/802451194.db2.gz MNILQMKOBPECBM-HUUCEWRRSA-N 1 2 348.447 2.010 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)cn1 ZINC001066446824 802522733 /nfs/dbraw/zinc/52/27/33/802522733.db2.gz IVZBEXXWWMIITM-HDJSIYSDSA-N 1 2 338.415 2.006 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2CC[NH+](Cc3cscn3)CC2)cn1 ZINC001006307923 802957828 /nfs/dbraw/zinc/95/78/28/802957828.db2.gz WBXUJDZXDMCSGZ-UHFFFAOYSA-N 1 2 340.452 2.256 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001108340725 803327096 /nfs/dbraw/zinc/32/70/96/803327096.db2.gz IIBHTALDBDVXHE-YJBOKZPZSA-N 1 2 334.485 2.390 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001108340725 803327101 /nfs/dbraw/zinc/32/71/01/803327101.db2.gz IIBHTALDBDVXHE-YJBOKZPZSA-N 1 2 334.485 2.390 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001108371984 803385133 /nfs/dbraw/zinc/38/51/33/803385133.db2.gz DAOWPTLCWHEKSJ-MJGOQNOKSA-N 1 2 346.858 2.210 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001108371984 803385140 /nfs/dbraw/zinc/38/51/40/803385140.db2.gz DAOWPTLCWHEKSJ-MJGOQNOKSA-N 1 2 346.858 2.210 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)COc2ccc(C)cc2C)C1 ZINC001108391113 803420926 /nfs/dbraw/zinc/42/09/26/803420926.db2.gz QFJLPTIKYYSJAV-LJQANCHMSA-N 1 2 332.444 2.075 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)COc2ccc(C)cc2C)C1 ZINC001108391113 803420931 /nfs/dbraw/zinc/42/09/31/803420931.db2.gz QFJLPTIKYYSJAV-LJQANCHMSA-N 1 2 332.444 2.075 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001108388158 803435427 /nfs/dbraw/zinc/43/54/27/803435427.db2.gz XGYOSJPXPKJCSJ-QGZVFWFLSA-N 1 2 338.835 2.355 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001108388158 803435433 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C=C(Br)C[N@@H+](CCC)CCNC(=O)c1ncoc1C ZINC001442918722 1097328295 /nfs/dbraw/zinc/32/82/95/1097328295.db2.gz FIBXXIANZQFGIJ-UHFFFAOYSA-N 1 2 330.226 2.333 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CCCCN1C(=O)CC)C1CC1 ZINC001442992241 1097411621 /nfs/dbraw/zinc/41/16/21/1097411621.db2.gz BBKFBTVJSYZCSV-HNNXBMFYSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1CCCCN1C(=O)CC)C1CC1 ZINC001442992241 1097411623 /nfs/dbraw/zinc/41/16/23/1097411623.db2.gz BBKFBTVJSYZCSV-HNNXBMFYSA-N 1 2 341.883 2.111 20 30 EEEDLO Cc1nc(C)c(C(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)o1 ZINC001496682640 1101281169 /nfs/dbraw/zinc/28/11/69/1101281169.db2.gz JZYCWTYRLGOFOD-UHFFFAOYSA-N 1 2 326.400 2.367 20 30 EEEDLO Cc1nc(C)c(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)o1 ZINC001496682640 1101281175 /nfs/dbraw/zinc/28/11/75/1101281175.db2.gz JZYCWTYRLGOFOD-UHFFFAOYSA-N 1 2 326.400 2.367 20 30 EEEDLO C=CCN(CC=C)c1nnc([C@H]2CCC[N@H+]2C)n1C[C@@H]1CCOC1 ZINC001519747902 1119103022 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COC[C@H]1C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)CCO1 ZINC000093529411 237049607 /nfs/dbraw/zinc/04/96/07/237049607.db2.gz IYBJZAUJCYJMMC-MRXNPFEDSA-N 1 2 334.416 2.225 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCc2cccc(C(=O)N(C)C)c2)cs1 ZINC000105393941 237090925 /nfs/dbraw/zinc/09/09/25/237090925.db2.gz QUGGWXIFSFDLOR-UHFFFAOYSA-N 1 2 332.429 2.185 20 30 EEEDLO C=CCN1C(=O)N=NC1SCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421832156 240031913 /nfs/dbraw/zinc/03/19/13/240031913.db2.gz GHIGSEVYARZDEH-UHFFFAOYSA-N 1 2 346.456 2.294 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ncc(C)s2)CC1 ZINC000495053769 247058921 /nfs/dbraw/zinc/05/89/21/247058921.db2.gz PMZJYSYZOWXMES-OAHLLOKOSA-N 1 2 336.505 2.387 20 30 EEEDLO C=CC[N@H+](Cc1c[nH]nc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361154 218136350 /nfs/dbraw/zinc/13/63/50/218136350.db2.gz HVOMBGCXJMAPRL-INIZCTEOSA-N 1 2 331.441 2.252 20 30 EEEDLO C=CC[N@@H+](Cc1c[nH]nc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361154 218136353 /nfs/dbraw/zinc/13/63/53/218136353.db2.gz HVOMBGCXJMAPRL-INIZCTEOSA-N 1 2 331.441 2.252 20 30 EEEDLO Cn1cc[nH+]c1CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000267641169 251217562 /nfs/dbraw/zinc/21/75/62/251217562.db2.gz ANDOYVNOYOQLLF-UHFFFAOYSA-N 1 2 336.317 2.290 20 30 EEEDLO C#CC[N@@H+](Cc1cc2ccccc2c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000491634676 533133241 /nfs/dbraw/zinc/13/32/41/533133241.db2.gz USEQBLLYISDYPP-KRWDZBQOSA-N 1 2 343.448 2.471 20 30 EEEDLO C#CC[N@H+](Cc1cc2ccccc2c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000491634676 533133244 /nfs/dbraw/zinc/13/32/44/533133244.db2.gz USEQBLLYISDYPP-KRWDZBQOSA-N 1 2 343.448 2.471 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2Cc2ccccc2)CC1 ZINC000491394846 533159838 /nfs/dbraw/zinc/15/98/38/533159838.db2.gz ONDLPWFETAYZJD-UHFFFAOYSA-N 1 2 337.471 2.280 20 30 EEEDLO C#C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000491806209 533325268 /nfs/dbraw/zinc/32/52/68/533325268.db2.gz QPEBWWXVQJKTPY-HOCLYGCPSA-N 1 2 326.375 2.433 20 30 EEEDLO C[C@@H](CN[C@@H](C(N)=O)c1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000115596528 152033606 /nfs/dbraw/zinc/03/36/06/152033606.db2.gz FDGAJZBKUULZGF-MGPUTAFESA-N 1 2 348.450 2.121 20 30 EEEDLO C[C@@H](CN[C@@H](C(N)=O)c1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000115596528 152033614 /nfs/dbraw/zinc/03/36/14/152033614.db2.gz FDGAJZBKUULZGF-MGPUTAFESA-N 1 2 348.450 2.121 20 30 EEEDLO CC(C)[C@@H]([NH2+]Cc1cc(C#N)cs1)c1nc(-c2nc[nH]n2)no1 ZINC000129236498 292354852 /nfs/dbraw/zinc/35/48/52/292354852.db2.gz ADRWEXRUSDKBCT-LLVKDONJSA-N 1 2 329.389 2.275 20 30 EEEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000102936685 159270142 /nfs/dbraw/zinc/27/01/42/159270142.db2.gz QDPRASQLVMHHRV-GOSISDBHSA-N 1 2 344.374 2.194 20 30 EEEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000102936685 159270143 /nfs/dbraw/zinc/27/01/43/159270143.db2.gz QDPRASQLVMHHRV-GOSISDBHSA-N 1 2 344.374 2.194 20 30 EEEDLO C=CCNC(=O)c1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000122473630 222095359 /nfs/dbraw/zinc/09/53/59/222095359.db2.gz 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ZINC000437414318 268218606 /nfs/dbraw/zinc/21/86/06/268218606.db2.gz QTYDXLUTKAKVFC-AWEZNQCLSA-N 1 2 335.354 2.403 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c(OC(F)F)c1 ZINC000437414318 268218608 /nfs/dbraw/zinc/21/86/08/268218608.db2.gz QTYDXLUTKAKVFC-AWEZNQCLSA-N 1 2 335.354 2.403 20 30 EEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCOc2c(F)cccc2C1 ZINC000528491533 268295679 /nfs/dbraw/zinc/29/56/79/268295679.db2.gz ZQRUMHFLWNBXCO-INIZCTEOSA-N 1 2 342.370 2.332 20 30 EEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCOc2c(F)cccc2C1 ZINC000528491533 268295681 /nfs/dbraw/zinc/29/56/81/268295681.db2.gz ZQRUMHFLWNBXCO-INIZCTEOSA-N 1 2 342.370 2.332 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000275343524 269108764 /nfs/dbraw/zinc/10/87/64/269108764.db2.gz SYEBOJCNEYCYGO-ZBFHGGJFSA-N 1 2 325.372 2.334 20 30 EEEDLO Cc1cc(N2CC[NH+](C3COC3)CC2)n2c3ccccc3nc2c1C#N ZINC000368580721 274706662 /nfs/dbraw/zinc/70/66/62/274706662.db2.gz BVAGELQWSAVDJT-UHFFFAOYSA-N 1 2 347.422 2.188 20 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/nfs/dbraw/zinc/12/69/23/465126923.db2.gz GFNPFFGUGNFZRI-UHFFFAOYSA-N 1 2 331.464 2.192 20 30 EEEDLO CCC[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1nnc2ccccn21 ZINC000347638682 465140263 /nfs/dbraw/zinc/14/02/63/465140263.db2.gz PEUURIRWRYHSIX-RDJZCZTQSA-N 1 2 348.410 2.258 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)s1)C1CCOCC1 ZINC000328990991 465195576 /nfs/dbraw/zinc/19/55/76/465195576.db2.gz FLIQNGRHVORZON-CQSZACIVSA-N 1 2 330.413 2.251 20 30 EEEDLO CC[C@](C)(C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000354943410 465214373 /nfs/dbraw/zinc/21/43/73/465214373.db2.gz RFFPBGMQKZZLPB-WMLDXEAASA-N 1 2 333.436 2.131 20 30 EEEDLO CC[C@](C)(C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000354943410 465214379 /nfs/dbraw/zinc/21/43/79/465214379.db2.gz RFFPBGMQKZZLPB-WMLDXEAASA-N 1 2 333.436 2.131 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)C1=O ZINC000337222385 465251004 /nfs/dbraw/zinc/25/10/04/465251004.db2.gz LXGZZUILSNAIJK-NUJGCVRESA-N 1 2 343.471 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COCC1(C#N)CC[NH+]([C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000341969336 465279686 /nfs/dbraw/zinc/27/96/86/465279686.db2.gz BVDHPYJBPOTYHZ-MRXNPFEDSA-N 1 2 331.391 2.183 20 30 EEEDLO C=CC[C@H](CO)CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000342213336 465302501 /nfs/dbraw/zinc/30/25/01/465302501.db2.gz QCXHOUNGMUENDA-RDJZCZTQSA-N 1 2 334.485 2.077 20 30 EEEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCCc2ccccc2)c1=O ZINC000590588241 468279265 /nfs/dbraw/zinc/27/92/65/468279265.db2.gz TXKNNXAVYIAVPB-UHFFFAOYSA-N 1 2 337.423 2.185 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)COc2cc(Cl)cc3cccnc32)CC1 ZINC000491046099 468291001 /nfs/dbraw/zinc/29/10/01/468291001.db2.gz OHGZSEDGHMETLF-UHFFFAOYSA-N 1 2 343.814 2.044 20 30 EEEDLO C[C@H]1C(NNc2[nH+]cncc2Cl)=CC(=O)N1C(=O)OC(C)(C)C ZINC000496508686 468294831 /nfs/dbraw/zinc/29/48/31/468294831.db2.gz RZWDCEMQHPECAH-QMMMGPOBSA-N 1 2 339.783 2.454 20 30 EEEDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2nccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000590695525 468309553 /nfs/dbraw/zinc/30/95/53/468309553.db2.gz QSVVZYBHJIIKLZ-HZPDHXFCSA-N 1 2 343.818 2.485 20 30 EEEDLO C[N@H+]1CCO[C@@H]([C@H](Nc2nccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000590695525 468309558 /nfs/dbraw/zinc/30/95/58/468309558.db2.gz QSVVZYBHJIIKLZ-HZPDHXFCSA-N 1 2 343.818 2.485 20 30 EEEDLO C#CCNC(=O)CC[N@@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000491165488 468313252 /nfs/dbraw/zinc/31/32/52/468313252.db2.gz LLYJWWCQIYRXRG-UHFFFAOYSA-N 1 2 339.208 2.086 20 30 EEEDLO C#CCNC(=O)CC[N@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000491165488 468313255 /nfs/dbraw/zinc/31/32/55/468313255.db2.gz LLYJWWCQIYRXRG-UHFFFAOYSA-N 1 2 339.208 2.086 20 30 EEEDLO C=CCNC(=O)CN1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000154124652 462732998 /nfs/dbraw/zinc/73/29/98/462732998.db2.gz SLXKLTUSZIPQPK-QGZVFWFLSA-N 1 2 337.414 2.336 20 30 EEEDLO C=CCNC(=O)C[NH+]1CCN([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000154124652 462733002 /nfs/dbraw/zinc/73/30/02/462733002.db2.gz SLXKLTUSZIPQPK-QGZVFWFLSA-N 1 2 337.414 2.336 20 30 EEEDLO C#CCCCCC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000120023197 462954057 /nfs/dbraw/zinc/95/40/57/462954057.db2.gz AUBGMDNZQIYHLQ-UHFFFAOYSA-N 1 2 344.455 2.412 20 30 EEEDLO C=C(C)C[N@@H+](CC)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1 ZINC000016485201 462980950 /nfs/dbraw/zinc/98/09/50/462980950.db2.gz IPTQQFZGUBEUOF-UHFFFAOYSA-N 1 2 335.429 2.478 20 30 EEEDLO C=C(C)C[N@H+](CC)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1 ZINC000016485201 462980956 /nfs/dbraw/zinc/98/09/56/462980956.db2.gz IPTQQFZGUBEUOF-UHFFFAOYSA-N 1 2 335.429 2.478 20 30 EEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(I)c1 ZINC000491256095 468335298 /nfs/dbraw/zinc/33/52/98/468335298.db2.gz ZUDREMYFGMROEQ-SNVBAGLBSA-N 1 2 342.180 2.183 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(I)c1 ZINC000491256095 468335303 /nfs/dbraw/zinc/33/53/03/468335303.db2.gz ZUDREMYFGMROEQ-SNVBAGLBSA-N 1 2 342.180 2.183 20 30 EEEDLO N#Cc1ccccc1OCC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000078288029 463100057 /nfs/dbraw/zinc/10/00/57/463100057.db2.gz RWHJMHNISRQLSX-UHFFFAOYSA-N 1 2 346.390 2.498 20 30 EEEDLO C=CCN(CC=C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000052868842 463114395 /nfs/dbraw/zinc/11/43/95/463114395.db2.gz NZFOORMTGAPRMJ-UHFFFAOYSA-N 1 2 329.444 2.131 20 30 EEEDLO Cc1cc(C)cc(OCCN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000078681368 463139911 /nfs/dbraw/zinc/13/99/11/463139911.db2.gz IGJOXNJCODDMRB-UHFFFAOYSA-N 1 2 331.460 2.230 20 30 EEEDLO CCCCO[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000068500159 463144966 /nfs/dbraw/zinc/14/49/66/463144966.db2.gz QVXXRMSULWRCOK-MRXNPFEDSA-N 1 2 329.444 2.408 20 30 EEEDLO C#CC[NH+]1CCN(Cn2nc3sc4ccccc4n3c2=S)CC1 ZINC000029436312 463257471 /nfs/dbraw/zinc/25/74/71/463257471.db2.gz VKDVWRVNIOOLLA-UHFFFAOYSA-N 1 2 343.481 2.288 20 30 EEEDLO Cc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1C ZINC000080160716 463289267 /nfs/dbraw/zinc/28/92/67/463289267.db2.gz NXXXUHGZDUCCHE-UHFFFAOYSA-N 1 2 330.432 2.383 20 30 EEEDLO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)Nc1cccc(C#N)c1)C2 ZINC000106370463 463512233 /nfs/dbraw/zinc/51/22/33/463512233.db2.gz DFQSKXIAFDRJKW-UHFFFAOYSA-N 1 2 337.427 2.412 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](Cc2cccnc2)CC1 ZINC000125247379 463521874 /nfs/dbraw/zinc/52/18/74/463521874.db2.gz PPMXFUWUWIUJLW-MRXNPFEDSA-N 1 2 349.438 2.098 20 30 EEEDLO COc1cccc2sc(NC(=O)C[NH+]3CCC(C#N)CC3)nc21 ZINC000057874398 463525838 /nfs/dbraw/zinc/52/58/38/463525838.db2.gz LBGZQKMJVLPDJW-UHFFFAOYSA-N 1 2 330.413 2.479 20 30 EEEDLO COCC[N@H+](CCC#N)C[C@@H](O)COc1cccc2ccccc21 ZINC000072690385 463533640 /nfs/dbraw/zinc/53/36/40/463533640.db2.gz CKODQYNIVWIQOZ-QGZVFWFLSA-N 1 2 328.412 2.442 20 30 EEEDLO COCC[N@@H+](CCC#N)C[C@@H](O)COc1cccc2ccccc21 ZINC000072690385 463533644 /nfs/dbraw/zinc/53/36/44/463533644.db2.gz CKODQYNIVWIQOZ-QGZVFWFLSA-N 1 2 328.412 2.442 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000083132528 463536170 /nfs/dbraw/zinc/53/61/70/463536170.db2.gz HTSXRJBNMQHQBQ-SFHVURJKSA-N 1 2 339.395 2.183 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000042290884 463554423 /nfs/dbraw/zinc/55/44/23/463554423.db2.gz BQTBRRGDUBCROE-MRXNPFEDSA-N 1 2 329.444 2.454 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000042290884 463554428 /nfs/dbraw/zinc/55/44/28/463554428.db2.gz BQTBRRGDUBCROE-MRXNPFEDSA-N 1 2 329.444 2.454 20 30 EEEDLO C#CC[NH+](CC#C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000072906485 463562800 /nfs/dbraw/zinc/56/28/00/463562800.db2.gz GPDPECHCVITNNV-UHFFFAOYSA-N 1 2 339.258 2.037 20 30 EEEDLO Cc1ccc(N2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1C ZINC000125772095 463577578 /nfs/dbraw/zinc/57/75/78/463577578.db2.gz OHGHARQHEZLQRE-HXUWFJFHSA-N 1 2 340.471 2.234 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)C[C@@H](C)C(=O)c2cccc(F)c2)CC1 ZINC000073228535 463595500 /nfs/dbraw/zinc/59/55/00/463595500.db2.gz NUEIAOZPHCJDSX-OAHLLOKOSA-N 1 2 330.403 2.202 20 30 EEEDLO Cc1ccsc1[C@H]1C[C@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000164129451 463615065 /nfs/dbraw/zinc/61/50/65/463615065.db2.gz PPQCNTMDSBNUBR-JKSUJKDBSA-N 1 2 347.484 2.235 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000186056387 463929447 /nfs/dbraw/zinc/92/94/47/463929447.db2.gz FMJCMWPLTAMDOS-LBPRGKRZSA-N 1 2 332.366 2.419 20 30 EEEDLO COCCSCCCO[NH+]=C(N)COc1cc(F)cc(F)c1 ZINC000278210240 463957798 /nfs/dbraw/zinc/95/77/98/463957798.db2.gz GRTAVYRYHBRDSE-UHFFFAOYSA-N 1 2 334.388 2.402 20 30 EEEDLO C[C@H](C(=O)N1CCCC1)N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186281187 463967185 /nfs/dbraw/zinc/96/71/85/463967185.db2.gz DWFXQHSNMLGKEN-IAGOWNOFSA-N 1 2 340.471 2.248 20 30 EEEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186281187 463967191 /nfs/dbraw/zinc/96/71/91/463967191.db2.gz DWFXQHSNMLGKEN-IAGOWNOFSA-N 1 2 340.471 2.248 20 30 EEEDLO C=CCCCCCCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000287948286 464025987 /nfs/dbraw/zinc/02/59/87/464025987.db2.gz GHEQRRLTJPDOPH-UHFFFAOYSA-N 1 2 341.415 2.459 20 30 EEEDLO C=C(CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccccc1 ZINC000288001328 464029106 /nfs/dbraw/zinc/02/91/06/464029106.db2.gz LHXSJTCCGOSPHS-WMZOPIPTSA-N 1 2 329.444 2.204 20 30 EEEDLO CC#CCCCC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000186619974 464035234 /nfs/dbraw/zinc/03/52/34/464035234.db2.gz DYECODQFYHQDBN-UHFFFAOYSA-N 1 2 341.455 2.483 20 30 EEEDLO NC(=[NH+]OCc1nn(-c2ccccc2)c2c1CCC2)[C@H]1CCCO1 ZINC000283957194 464053725 /nfs/dbraw/zinc/05/37/25/464053725.db2.gz FXMZNKQVOWTCHQ-QGZVFWFLSA-N 1 2 326.400 2.329 20 30 EEEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000279348913 464090867 /nfs/dbraw/zinc/09/08/67/464090867.db2.gz CKMGYEBOYLVCBY-WMZOPIPTSA-N 1 2 344.459 2.394 20 30 EEEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](n3cccn3)C2)c(C#N)c1C ZINC000291908915 464161573 /nfs/dbraw/zinc/16/15/73/464161573.db2.gz RRDSLLSNZMWRNV-OCCSQVGLSA-N 1 2 327.388 2.239 20 30 EEEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](n3cccn3)C2)c(C#N)c1C ZINC000291908915 464161579 /nfs/dbraw/zinc/16/15/79/464161579.db2.gz RRDSLLSNZMWRNV-OCCSQVGLSA-N 1 2 327.388 2.239 20 30 EEEDLO C=CCNC(=O)C[NH2+][C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000180028535 464227846 /nfs/dbraw/zinc/22/78/46/464227846.db2.gz YENHPCZOGGYPHQ-LLVKDONJSA-N 1 2 333.823 2.182 20 30 EEEDLO Cc1nnc([C@@H]2CC[N@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C2)[nH]1 ZINC000591053724 468400242 /nfs/dbraw/zinc/40/02/42/468400242.db2.gz FERONPNFOHOESQ-OAHLLOKOSA-N 1 2 347.426 2.468 20 30 EEEDLO Cc1nnc([C@@H]2CC[N@@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C2)[nH]1 ZINC000591053724 468400243 /nfs/dbraw/zinc/40/02/43/468400243.db2.gz FERONPNFOHOESQ-OAHLLOKOSA-N 1 2 347.426 2.468 20 30 EEEDLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C2)n1 ZINC000591053724 468400246 /nfs/dbraw/zinc/40/02/46/468400246.db2.gz FERONPNFOHOESQ-OAHLLOKOSA-N 1 2 347.426 2.468 20 30 EEEDLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C2)n1 ZINC000591053724 468400251 /nfs/dbraw/zinc/40/02/51/468400251.db2.gz FERONPNFOHOESQ-OAHLLOKOSA-N 1 2 347.426 2.468 20 30 EEEDLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284589296 464254120 /nfs/dbraw/zinc/25/41/20/464254120.db2.gz XUQWSOLUJSUUFY-BXUZGUMPSA-N 1 2 339.823 2.327 20 30 EEEDLO C#CCCCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1[nH+]ccn1C ZINC000284649278 464277527 /nfs/dbraw/zinc/27/75/27/464277527.db2.gz FXOXVZJYRLHSOX-OAHLLOKOSA-N 1 2 332.448 2.427 20 30 EEEDLO CN(C)S(=O)(=O)c1cccc2c1CC[N@H+](CCC(C)(C)C#N)C2 ZINC000284730781 464315034 /nfs/dbraw/zinc/31/50/34/464315034.db2.gz KIBUAYHIEFBLDH-UHFFFAOYSA-N 1 2 335.473 2.235 20 30 EEEDLO CN(C)S(=O)(=O)c1cccc2c1CC[N@@H+](CCC(C)(C)C#N)C2 ZINC000284730781 464315035 /nfs/dbraw/zinc/31/50/35/464315035.db2.gz KIBUAYHIEFBLDH-UHFFFAOYSA-N 1 2 335.473 2.235 20 30 EEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC(=O)NCc1cccc(Cl)c1 ZINC000174227341 464380642 /nfs/dbraw/zinc/38/06/42/464380642.db2.gz PFXXJTKJAOICCS-LBPRGKRZSA-N 1 2 341.839 2.306 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C)C1=O ZINC000281241378 464382812 /nfs/dbraw/zinc/38/28/12/464382812.db2.gz GDPXFLOUZKJDBA-HNNXBMFYSA-N 1 2 335.835 2.306 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C)C1=O ZINC000281241378 464382816 /nfs/dbraw/zinc/38/28/16/464382816.db2.gz GDPXFLOUZKJDBA-HNNXBMFYSA-N 1 2 335.835 2.306 20 30 EEEDLO C=CCOCC(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000343054703 465473218 /nfs/dbraw/zinc/47/32/18/465473218.db2.gz WLSSIBWGHHAJML-UHFFFAOYSA-N 1 2 325.412 2.213 20 30 EEEDLO O=C(C[N@@H+]1CCO[C@@]2(CCOC2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000329918266 465474040 /nfs/dbraw/zinc/47/40/40/465474040.db2.gz ZTGFQDVGLLOMGS-DRQQPFKUSA-N 1 2 334.460 2.403 20 30 EEEDLO O=C(C[N@H+]1CCO[C@@]2(CCOC2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000329918266 465474047 /nfs/dbraw/zinc/47/40/47/465474047.db2.gz ZTGFQDVGLLOMGS-DRQQPFKUSA-N 1 2 334.460 2.403 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OCC)c2)C1=O ZINC000281458031 464462115 /nfs/dbraw/zinc/46/21/15/464462115.db2.gz VBYCAWCZRHYFPZ-OAHLLOKOSA-N 1 2 333.388 2.212 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OCC)c2)C1=O ZINC000281458031 464462121 /nfs/dbraw/zinc/46/21/21/464462121.db2.gz VBYCAWCZRHYFPZ-OAHLLOKOSA-N 1 2 333.388 2.212 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000281526775 464491260 /nfs/dbraw/zinc/49/12/60/464491260.db2.gz LFVKPLSPWSITEH-NCOADZHNSA-N 1 2 332.448 2.457 20 30 EEEDLO Cc1sc(NC(=O)C[NH2+][C@H](c2nncn2C)C(C)C)c(C#N)c1C ZINC000285443670 464567832 /nfs/dbraw/zinc/56/78/32/464567832.db2.gz SAISHGSJISZKNJ-AWEZNQCLSA-N 1 2 346.460 2.291 20 30 EEEDLO Cc1csc(=O)n1CC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000176148941 464707177 /nfs/dbraw/zinc/70/71/77/464707177.db2.gz QSAWUOVAHFMNIB-QGZVFWFLSA-N 1 2 342.468 2.101 20 30 EEEDLO Cc1cc(Br)cn2c(CN3CCO[C@H](C#N)C3)c[nH+]c12 ZINC000273459183 464717355 /nfs/dbraw/zinc/71/73/55/464717355.db2.gz IKCRMMYEMIHNTQ-CYBMUJFWSA-N 1 2 335.205 2.130 20 30 EEEDLO C#CCN(C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1)C1CC1 ZINC000274100404 464734017 /nfs/dbraw/zinc/73/40/17/464734017.db2.gz JVWLTCVBYHWXKV-IBGZPJMESA-N 1 2 341.455 2.176 20 30 EEEDLO C=CCn1c(C2CCC2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000282276311 464762137 /nfs/dbraw/zinc/76/21/37/464762137.db2.gz MOTGIRBJJXVXJC-UHFFFAOYSA-N 1 2 342.447 2.350 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000249122932 464844119 /nfs/dbraw/zinc/84/41/19/464844119.db2.gz TVYXMXIBYXCCOM-DNVCBOLYSA-N 1 2 346.450 2.391 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000249122932 464844126 /nfs/dbraw/zinc/84/41/26/464844126.db2.gz TVYXMXIBYXCCOM-DNVCBOLYSA-N 1 2 346.450 2.391 20 30 EEEDLO CCN(CCC#N)CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000267105281 464916853 /nfs/dbraw/zinc/91/68/53/464916853.db2.gz VWGQDYIPDJGXGE-UHFFFAOYSA-N 1 2 348.878 2.220 20 30 EEEDLO O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)N1CCn2cc[nH+]c2C1 ZINC000329400797 465322251 /nfs/dbraw/zinc/32/22/51/465322251.db2.gz BFZWVFNNQSSDKX-HNNXBMFYSA-N 1 2 343.406 2.421 20 30 EEEDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)[nH]1 ZINC000329492699 465351433 /nfs/dbraw/zinc/35/14/33/465351433.db2.gz WFZZSUJPKFLXAO-AWEZNQCLSA-N 1 2 330.436 2.476 20 30 EEEDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)[nH]1 ZINC000329492699 465351441 /nfs/dbraw/zinc/35/14/41/465351441.db2.gz WFZZSUJPKFLXAO-AWEZNQCLSA-N 1 2 330.436 2.476 20 30 EEEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000329492699 465351451 /nfs/dbraw/zinc/35/14/51/465351451.db2.gz WFZZSUJPKFLXAO-AWEZNQCLSA-N 1 2 330.436 2.476 20 30 EEEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000329492699 465351458 /nfs/dbraw/zinc/35/14/58/465351458.db2.gz WFZZSUJPKFLXAO-AWEZNQCLSA-N 1 2 330.436 2.476 20 30 EEEDLO Cc1ccc(NC(=O)C[NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)c(F)c1 ZINC000329677193 465404341 /nfs/dbraw/zinc/40/43/41/465404341.db2.gz WODJTUDOTGIKLN-UHFFFAOYSA-N 1 2 333.367 2.425 20 30 EEEDLO COc1ccc(Cl)cc1N1C(=O)C[C@@H]([NH+]2CCC(C#N)CC2)C1=O ZINC000352273262 465512450 /nfs/dbraw/zinc/51/24/50/465512450.db2.gz ZIQKYNFKCRZTIH-CQSZACIVSA-N 1 2 347.802 2.216 20 30 EEEDLO CC(C)Oc1cccc(CNC(=O)C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352485045 465532937 /nfs/dbraw/zinc/53/29/37/465532937.db2.gz WUSIRTGRFQAMBM-UHFFFAOYSA-N 1 2 333.407 2.418 20 30 EEEDLO C[C@@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1nnc2ccccn21 ZINC000298896429 465536101 /nfs/dbraw/zinc/53/61/01/465536101.db2.gz MCFPQCBRHKJNCH-CJNGLKHVSA-N 1 2 346.394 2.057 20 30 EEEDLO COc1cc[nH+]cc1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000348343084 465559243 /nfs/dbraw/zinc/55/92/43/465559243.db2.gz UYLGWWINVXPYCU-UHFFFAOYSA-N 1 2 336.273 2.306 20 30 EEEDLO COc1ccc(CNC(=O)C[N@@H+]2CCO[C@H]3CCC[C@H]32)cc1OC ZINC000330244648 465584079 /nfs/dbraw/zinc/58/40/79/465584079.db2.gz DIQJSDPBOVLRPL-CABCVRRESA-N 1 2 334.416 2.414 20 30 EEEDLO COc1ccc(CNC(=O)C[N@H+]2CCO[C@H]3CCC[C@H]32)cc1OC ZINC000330244648 465584087 /nfs/dbraw/zinc/58/40/87/465584087.db2.gz DIQJSDPBOVLRPL-CABCVRRESA-N 1 2 334.416 2.414 20 30 EEEDLO C=CCCCSc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000344172369 465593610 /nfs/dbraw/zinc/59/36/10/465593610.db2.gz UIWUASBBQVWWNN-UHFFFAOYSA-N 1 2 341.502 2.076 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]c4ncccc34)CC2)cc1 ZINC000339930594 465611601 /nfs/dbraw/zinc/61/16/01/465611601.db2.gz BRLBGVMHWORMGD-UHFFFAOYSA-N 1 2 345.406 2.393 20 30 EEEDLO Cc1c(C#N)cccc1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000337867509 465641213 /nfs/dbraw/zinc/64/12/13/465641213.db2.gz OTWDKZQDHBJNFU-QGZVFWFLSA-N 1 2 327.428 2.194 20 30 EEEDLO C=CCn1c(CCCC)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000337898700 465666363 /nfs/dbraw/zinc/66/63/63/465666363.db2.gz GRRJFCXQVBJLTP-UHFFFAOYSA-N 1 2 344.463 2.425 20 30 EEEDLO COc1ccc(C[NH+]2CCN(Cc3cscn3)CC2)cc1C#N ZINC000340144920 465810887 /nfs/dbraw/zinc/81/08/87/465810887.db2.gz ATTBBWKADPAZQP-UHFFFAOYSA-N 1 2 328.441 2.341 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362605277 465875228 /nfs/dbraw/zinc/87/52/28/465875228.db2.gz DIYQVLMTVDJZAQ-QGZVFWFLSA-N 1 2 346.427 2.073 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362605277 465875233 /nfs/dbraw/zinc/87/52/33/465875233.db2.gz DIYQVLMTVDJZAQ-QGZVFWFLSA-N 1 2 346.427 2.073 20 30 EEEDLO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N)c1 ZINC000353462865 465903083 /nfs/dbraw/zinc/90/30/83/465903083.db2.gz PQISQUZTELGBQE-MELADBBJSA-N 1 2 333.432 2.361 20 30 EEEDLO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000353462865 465903086 /nfs/dbraw/zinc/90/30/86/465903086.db2.gz PQISQUZTELGBQE-MELADBBJSA-N 1 2 333.432 2.361 20 30 EEEDLO COCC[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1cccs1 ZINC000349130618 465987090 /nfs/dbraw/zinc/98/70/90/465987090.db2.gz XNBSSPQWWGRREO-UHFFFAOYSA-N 1 2 343.452 2.385 20 30 EEEDLO COCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1cccs1 ZINC000349130618 465987099 /nfs/dbraw/zinc/98/70/99/465987099.db2.gz XNBSSPQWWGRREO-UHFFFAOYSA-N 1 2 343.452 2.385 20 30 EEEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1C ZINC000346629577 466120214 /nfs/dbraw/zinc/12/02/14/466120214.db2.gz BFRMZIFMVSRWAW-ZWNOBZJWSA-N 1 2 335.791 2.034 20 30 EEEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1C ZINC000346629577 466120221 /nfs/dbraw/zinc/12/02/21/466120221.db2.gz BFRMZIFMVSRWAW-ZWNOBZJWSA-N 1 2 335.791 2.034 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338627182 466271482 /nfs/dbraw/zinc/27/14/82/466271482.db2.gz VIQNBERWILHGGW-CJNGLKHVSA-N 1 2 326.437 2.058 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338627182 466271486 /nfs/dbraw/zinc/27/14/86/466271486.db2.gz VIQNBERWILHGGW-CJNGLKHVSA-N 1 2 326.437 2.058 20 30 EEEDLO N#CC[C@H](CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000332250834 466470995 /nfs/dbraw/zinc/47/09/95/466470995.db2.gz CKRFNKQBNKOBGC-MSOLQXFVSA-N 1 2 327.428 2.007 20 30 EEEDLO C#CCNC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000367820416 466542295 /nfs/dbraw/zinc/54/22/95/466542295.db2.gz IULJUWOLRZQNLL-DZGCQCFKSA-N 1 2 325.334 2.172 20 30 EEEDLO C#CCNC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000367820416 466542300 /nfs/dbraw/zinc/54/23/00/466542300.db2.gz IULJUWOLRZQNLL-DZGCQCFKSA-N 1 2 325.334 2.172 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)C1=O ZINC000369068995 466712481 /nfs/dbraw/zinc/71/24/81/466712481.db2.gz ZZZPEPSZHQFDGH-XHSDSOJGSA-N 1 2 349.475 2.247 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)C1=O ZINC000369068995 466712483 /nfs/dbraw/zinc/71/24/83/466712483.db2.gz ZZZPEPSZHQFDGH-XHSDSOJGSA-N 1 2 349.475 2.247 20 30 EEEDLO CC(C)(C#N)C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000375778269 466875045 /nfs/dbraw/zinc/87/50/45/466875045.db2.gz JCHPGKRCHAWBCH-UHFFFAOYSA-N 1 2 326.322 2.299 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377526602 467079566 /nfs/dbraw/zinc/07/95/66/467079566.db2.gz GBSZPXOFRGEJRP-AWEZNQCLSA-N 1 2 329.872 2.366 20 30 EEEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C2 ZINC000377757856 467134524 /nfs/dbraw/zinc/13/45/24/467134524.db2.gz GHYBZMYEZQQHDU-IBGZPJMESA-N 1 2 339.439 2.351 20 30 EEEDLO COc1ccc2c(c1)C1(CC1)C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C2 ZINC000377757856 467134529 /nfs/dbraw/zinc/13/45/29/467134529.db2.gz GHYBZMYEZQQHDU-IBGZPJMESA-N 1 2 339.439 2.351 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2CCOC[C@@H]2CC(=O)OC)cc1OC ZINC000377868072 467156366 /nfs/dbraw/zinc/15/63/66/467156366.db2.gz FMBMIQMHDPSIFV-HNNXBMFYSA-N 1 2 335.400 2.024 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2CCOC[C@@H]2CC(=O)OC)cc1OC ZINC000377868072 467156369 /nfs/dbraw/zinc/15/63/69/467156369.db2.gz FMBMIQMHDPSIFV-HNNXBMFYSA-N 1 2 335.400 2.024 20 30 EEEDLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3cc(C#N)ccc3F)[nH+]cn2)C1 ZINC000413172685 467183471 /nfs/dbraw/zinc/18/34/71/467183471.db2.gz RIWKKUVCCYRPOB-OCCSQVGLSA-N 1 2 341.390 2.307 20 30 EEEDLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3cc(C#N)ccc3F)nc[nH+]2)C1 ZINC000413172685 467183472 /nfs/dbraw/zinc/18/34/72/467183472.db2.gz RIWKKUVCCYRPOB-OCCSQVGLSA-N 1 2 341.390 2.307 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(OCC(F)(F)F)c1 ZINC000414148992 467384330 /nfs/dbraw/zinc/38/43/30/467384330.db2.gz UEQRMJBHJIVUAR-LBPRGKRZSA-N 1 2 332.322 2.213 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(OCC(F)(F)F)c1 ZINC000414148992 467384333 /nfs/dbraw/zinc/38/43/33/467384333.db2.gz UEQRMJBHJIVUAR-LBPRGKRZSA-N 1 2 332.322 2.213 20 30 EEEDLO C[C@@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)c1[nH]cc[nH+]1 ZINC000496728631 467699775 /nfs/dbraw/zinc/69/97/75/467699775.db2.gz VWVLZDMFXUZOAC-VXGBXAGGSA-N 1 2 335.408 2.174 20 30 EEEDLO C[C@@H](C#N)OCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@](C)(F)C1 ZINC000496819669 467718396 /nfs/dbraw/zinc/71/83/96/467718396.db2.gz MYYVHJADDWOBIS-BBRMVZONSA-N 1 2 329.416 2.196 20 30 EEEDLO C[C@@H](C#N)OCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@](C)(F)C1 ZINC000496819669 467718400 /nfs/dbraw/zinc/71/84/00/467718400.db2.gz MYYVHJADDWOBIS-BBRMVZONSA-N 1 2 329.416 2.196 20 30 EEEDLO C#CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C(=O)OC ZINC000496943498 467746428 /nfs/dbraw/zinc/74/64/28/467746428.db2.gz XHNNWRDUXCJGRY-JALIKCBVSA-N 1 2 336.432 2.071 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000496954089 467752217 /nfs/dbraw/zinc/75/22/17/467752217.db2.gz DJOAIGSDHVLRHP-CYBMUJFWSA-N 1 2 344.415 2.048 20 30 EEEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)C=Cc2c[nH]c[nH+]2)ccc1OC ZINC000492810806 467759851 /nfs/dbraw/zinc/75/98/51/467759851.db2.gz JBZXLDUWDUEYNY-ZKKXHLJNSA-N 1 2 340.383 2.429 20 30 EEEDLO N#Cc1cccc(Nc2ccc(N3CCOCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000450231956 467804245 /nfs/dbraw/zinc/80/42/45/467804245.db2.gz KXJQQPKVPUKGME-UHFFFAOYSA-N 1 2 325.328 2.442 20 30 EEEDLO COCc1ccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1C#N ZINC000529211592 467829122 /nfs/dbraw/zinc/82/91/22/467829122.db2.gz JWLMLEGLTWFEKG-OAHLLOKOSA-N 1 2 325.372 2.038 20 30 EEEDLO COC(=O)c1cccc2c1CC[N@H+](CC(=O)Nc1cccc(C#N)c1)C2 ZINC000459548540 467961400 /nfs/dbraw/zinc/96/14/00/467961400.db2.gz PXDCAMDAZKMGKY-UHFFFAOYSA-N 1 2 349.390 2.342 20 30 EEEDLO COC(=O)c1cccc2c1CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)C2 ZINC000459548540 467961402 /nfs/dbraw/zinc/96/14/02/467961402.db2.gz PXDCAMDAZKMGKY-UHFFFAOYSA-N 1 2 349.390 2.342 20 30 EEEDLO Cc1nc2sccn2c1C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000530335636 467976918 /nfs/dbraw/zinc/97/69/18/467976918.db2.gz YCUKFJPXVVSSOQ-GFCCVEGCSA-N 1 2 331.445 2.087 20 30 EEEDLO Cc1nc2sccn2c1C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000530335636 467976920 /nfs/dbraw/zinc/97/69/20/467976920.db2.gz YCUKFJPXVVSSOQ-GFCCVEGCSA-N 1 2 331.445 2.087 20 30 EEEDLO COC(=O)c1ccc(NCc2ccc(N3CCCC3)[nH+]c2)c(C#N)n1 ZINC000516038600 468010839 /nfs/dbraw/zinc/01/08/39/468010839.db2.gz SZHPUSADWFLUST-UHFFFAOYSA-N 1 2 337.383 2.347 20 30 EEEDLO CC1CC(C#N)(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000532319963 468111382 /nfs/dbraw/zinc/11/13/82/468111382.db2.gz XPSAJMLRPYFIIN-RMXPPQQLSA-N 1 2 327.428 2.116 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000565658979 468135663 /nfs/dbraw/zinc/13/56/63/468135663.db2.gz BQRCBHYMFBNXHG-AWEZNQCLSA-N 1 2 329.322 2.201 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ccccc1OC(F)(F)F ZINC000575991874 468158059 /nfs/dbraw/zinc/15/80/59/468158059.db2.gz GTKCQZUURBWCRU-OAHLLOKOSA-N 1 2 343.349 2.478 20 30 EEEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)CCC2 ZINC000489668587 468159039 /nfs/dbraw/zinc/15/90/39/468159039.db2.gz SJJCALIKODIRJC-CYBMUJFWSA-N 1 2 348.403 2.058 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)Nc1cccc(I)c1 ZINC000550491954 468217176 /nfs/dbraw/zinc/21/71/76/468217176.db2.gz YFUZUELUUZSWMS-UHFFFAOYSA-N 1 2 342.180 2.185 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)Nc1cccc(I)c1 ZINC000550491954 468217183 /nfs/dbraw/zinc/21/71/83/468217183.db2.gz YFUZUELUUZSWMS-UHFFFAOYSA-N 1 2 342.180 2.185 20 30 EEEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000594225628 468519320 /nfs/dbraw/zinc/51/93/20/468519320.db2.gz YEGWNBNZHYLTQD-QGZVFWFLSA-N 1 2 348.450 2.476 20 30 EEEDLO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000594474374 468598509 /nfs/dbraw/zinc/59/85/09/468598509.db2.gz ISMCBVFMCRPMRU-UHFFFAOYSA-N 1 2 327.475 2.115 20 30 EEEDLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149832 468639471 /nfs/dbraw/zinc/63/94/71/468639471.db2.gz XLACIVDVULWLJD-VQIMIIECSA-N 1 2 345.443 2.003 20 30 EEEDLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149832 468639476 /nfs/dbraw/zinc/63/94/76/468639476.db2.gz XLACIVDVULWLJD-VQIMIIECSA-N 1 2 345.443 2.003 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000592151134 468639655 /nfs/dbraw/zinc/63/96/55/468639655.db2.gz MLLXZSNKWDMVJM-QGZVFWFLSA-N 1 2 343.408 2.389 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000592151134 468639661 /nfs/dbraw/zinc/63/96/61/468639661.db2.gz MLLXZSNKWDMVJM-QGZVFWFLSA-N 1 2 343.408 2.389 20 30 EEEDLO COc1ccc(-c2ccc(N3CCC(C(N)=O)CC3)[nH+]c2)c(C#N)c1 ZINC000600792253 468659101 /nfs/dbraw/zinc/65/91/01/468659101.db2.gz XHXZSKLFRIWZKZ-UHFFFAOYSA-N 1 2 336.395 2.331 20 30 EEEDLO Cc1cn2ccc(NC(=O)C(=O)N(CCC#N)CCC(C)C)cc2[nH+]1 ZINC000595014864 468743681 /nfs/dbraw/zinc/74/36/81/468743681.db2.gz UWHWULFMGCCHSI-UHFFFAOYSA-N 1 2 341.415 2.370 20 30 EEEDLO C[C@H](C(=O)N([C@@H](C)C#N)C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000598129705 468774737 /nfs/dbraw/zinc/77/47/37/468774737.db2.gz XRCZBPXKNGCRMO-LSDHHAIUSA-N 1 2 344.434 2.239 20 30 EEEDLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCN(CCC#N)CC1 ZINC000601262743 468803179 /nfs/dbraw/zinc/80/31/79/468803179.db2.gz WRNNGGIHLSJIBD-UHFFFAOYSA-N 1 2 338.411 2.447 20 30 EEEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](C)CO)CC2)c(C#N)c1C ZINC000593082455 468863762 /nfs/dbraw/zinc/86/37/62/468863762.db2.gz HKVSKNHAYTZAFZ-WCQYABFASA-N 1 2 333.432 2.436 20 30 EEEDLO C[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1[nH+]ccn1C ZINC000598466320 468874269 /nfs/dbraw/zinc/87/42/69/468874269.db2.gz YLJDTYDWCRJEFV-JSGCOSHPSA-N 1 2 341.390 2.135 20 30 EEEDLO C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1[nH+]ccn1C ZINC000598464682 468874612 /nfs/dbraw/zinc/87/46/12/468874612.db2.gz LIQXITPEDSWBFK-ZDUSSCGKSA-N 1 2 339.399 2.278 20 30 EEEDLO N#CCc1ccccc1C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000601554654 468915951 /nfs/dbraw/zinc/91/59/51/468915951.db2.gz HTNHXUPTORTNJP-UHFFFAOYSA-N 1 2 339.399 2.052 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)n1C ZINC000602707669 469024181 /nfs/dbraw/zinc/02/41/81/469024181.db2.gz OIBRBKFFPWIFES-UHFFFAOYSA-N 1 2 344.440 2.067 20 30 EEEDLO Cc1nc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(C)c(C)[nH+]1 ZINC000610769783 469068142 /nfs/dbraw/zinc/06/81/42/469068142.db2.gz BZIIICRXWOLJCP-UHFFFAOYSA-N 1 2 338.415 2.466 20 30 EEEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000602862006 469126068 /nfs/dbraw/zinc/12/60/68/469126068.db2.gz IMMBKNWBDCTYAM-UKRRQHHQSA-N 1 2 329.400 2.013 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(Br)c1F ZINC000563220307 469203208 /nfs/dbraw/zinc/20/32/08/469203208.db2.gz KPUATWCZPWNPKE-CYBMUJFWSA-N 1 2 328.185 2.162 20 30 EEEDLO CCc1nc(C#N)cc(N2CCC[N@H+](Cc3cscn3)CC2)n1 ZINC000596107973 469157664 /nfs/dbraw/zinc/15/76/64/469157664.db2.gz KIBJDXTZTOUHBR-UHFFFAOYSA-N 1 2 328.445 2.079 20 30 EEEDLO CCc1nc(C#N)cc(N2CCC[N@@H+](Cc3cscn3)CC2)n1 ZINC000596107973 469157668 /nfs/dbraw/zinc/15/76/68/469157668.db2.gz KIBJDXTZTOUHBR-UHFFFAOYSA-N 1 2 328.445 2.079 20 30 EEEDLO COc1ccc(-c2noc([C@@H](C)[NH+]3CCN(CCC#N)CC3)n2)cc1 ZINC000611173696 469180165 /nfs/dbraw/zinc/18/01/65/469180165.db2.gz GZBISAYKTPPNLS-CQSZACIVSA-N 1 2 341.415 2.337 20 30 EEEDLO CS(=O)(=O)N1CC[N@H+](Cc2cc(C#N)cs2)Cc2ccccc21 ZINC000611287731 469220308 /nfs/dbraw/zinc/22/03/08/469220308.db2.gz JQCXOWFIRVNCMO-UHFFFAOYSA-N 1 2 347.465 2.402 20 30 EEEDLO CS(=O)(=O)N1CC[N@@H+](Cc2cc(C#N)cs2)Cc2ccccc21 ZINC000611287731 469220310 /nfs/dbraw/zinc/22/03/10/469220310.db2.gz JQCXOWFIRVNCMO-UHFFFAOYSA-N 1 2 347.465 2.402 20 30 EEEDLO COC(=O)c1ccc(NCc2ccc[nH+]c2N2CCCC2)c(C#N)n1 ZINC000596356634 469249290 /nfs/dbraw/zinc/24/92/90/469249290.db2.gz LVCRHJLRTVYVBW-UHFFFAOYSA-N 1 2 337.383 2.347 20 30 EEEDLO Cc1cc(CN2CCc3[nH+]c[nH]c3[C@H]2c2ccnn2C)ccc1C#N ZINC000599443630 469259300 /nfs/dbraw/zinc/25/93/00/469259300.db2.gz DEDNSSCBUQEOME-LJQANCHMSA-N 1 2 332.411 2.471 20 30 EEEDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000564873161 469261159 /nfs/dbraw/zinc/26/11/59/469261159.db2.gz UOUHUBFVXUHNPG-XHDPSFHLSA-N 1 2 336.417 2.035 20 30 EEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000596453754 469271113 /nfs/dbraw/zinc/27/11/13/469271113.db2.gz NDCKXVQYJRWQLN-KGLIPLIRSA-N 1 2 347.463 2.345 20 30 EEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000596453754 469271117 /nfs/dbraw/zinc/27/11/17/469271117.db2.gz NDCKXVQYJRWQLN-KGLIPLIRSA-N 1 2 347.463 2.345 20 30 EEEDLO CC(C)n1cc[nH+]c1CN1CCCN(C(=O)[C@@]2(C#N)C[C@@H]2C)CC1 ZINC000565402046 469272682 /nfs/dbraw/zinc/27/26/82/469272682.db2.gz IIFZXLMLMVESGQ-MAUKXSAKSA-N 1 2 329.448 2.048 20 30 EEEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC000599687424 469338465 /nfs/dbraw/zinc/33/84/65/469338465.db2.gz RMBHYVAGBPBNGY-QGZVFWFLSA-N 1 2 342.370 2.332 20 30 EEEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC000599687424 469338466 /nfs/dbraw/zinc/33/84/66/469338466.db2.gz RMBHYVAGBPBNGY-QGZVFWFLSA-N 1 2 342.370 2.332 20 30 EEEDLO CC1(C#N)CC[NH+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000602605704 469381401 /nfs/dbraw/zinc/38/14/01/469381401.db2.gz KKFKGOIDZVZIRT-UHFFFAOYSA-N 1 2 327.837 2.113 20 30 EEEDLO COc1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1C ZINC000599858982 469394975 /nfs/dbraw/zinc/39/49/75/469394975.db2.gz OWTJYCQJVVPRKS-UHFFFAOYSA-N 1 2 346.431 2.083 20 30 EEEDLO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161179 469408233 /nfs/dbraw/zinc/40/82/33/469408233.db2.gz ONMXSTLILBMXAS-XLIONFOSSA-N 1 2 340.471 2.349 20 30 EEEDLO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161179 469408236 /nfs/dbraw/zinc/40/82/36/469408236.db2.gz ONMXSTLILBMXAS-XLIONFOSSA-N 1 2 340.471 2.349 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000618846666 469455220 /nfs/dbraw/zinc/45/52/20/469455220.db2.gz MBAPDFDBBGYJEI-DOTOQJQBSA-N 1 2 335.411 2.478 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCn2cc[nH+]c2C1 ZINC000604558927 469493608 /nfs/dbraw/zinc/49/36/08/469493608.db2.gz NEEAQDOVYIKASG-NSHDSACASA-N 1 2 341.440 2.148 20 30 EEEDLO C[C@H]1CCN(S(=O)(=O)c2cccc(CC#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000619490965 469624113 /nfs/dbraw/zinc/62/41/13/469624113.db2.gz WLIZRCPRDUHOEM-WMLDXEAASA-N 1 2 344.440 2.221 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000619717720 469670064 /nfs/dbraw/zinc/67/00/64/469670064.db2.gz FDDWDSPHFQRKJG-GXTWGEPZSA-N 1 2 347.333 2.105 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000619717720 469670067 /nfs/dbraw/zinc/67/00/67/469670067.db2.gz FDDWDSPHFQRKJG-GXTWGEPZSA-N 1 2 347.333 2.105 20 30 EEEDLO N#Cc1cc(O)cc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000614293637 469901410 /nfs/dbraw/zinc/90/14/10/469901410.db2.gz QRYIBAVRFTXPKS-UHFFFAOYSA-N 1 2 335.407 2.264 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610135640 469983636 /nfs/dbraw/zinc/98/36/36/469983636.db2.gz JEBZQRZMQCCRGG-HNNXBMFYSA-N 1 2 330.413 2.089 20 30 EEEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C)nc2N2CCCC2)nn1 ZINC000657431022 471134233 /nfs/dbraw/zinc/13/42/33/471134233.db2.gz XLWHBLXZTVFUKG-UHFFFAOYSA-N 1 2 326.448 2.448 20 30 EEEDLO C=C[C@H](O)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000666330856 471359259 /nfs/dbraw/zinc/35/92/59/471359259.db2.gz BRDAEINVNZRZHU-KBPBESRZSA-N 1 2 326.799 2.279 20 30 EEEDLO C=CCCC(C)(C)NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000663590082 471439966 /nfs/dbraw/zinc/43/99/66/471439966.db2.gz ZEXZPGYIKVTCKF-UHFFFAOYSA-N 1 2 332.448 2.462 20 30 EEEDLO C=CC[N@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)[C@H](C)COC ZINC000661245225 471686701 /nfs/dbraw/zinc/68/67/01/471686701.db2.gz ZHBMHWCFORZYCU-GFCCVEGCSA-N 1 2 331.372 2.488 20 30 EEEDLO C=CC[N@@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)[C@H](C)COC ZINC000661245225 471686708 /nfs/dbraw/zinc/68/67/08/471686708.db2.gz ZHBMHWCFORZYCU-GFCCVEGCSA-N 1 2 331.372 2.488 20 30 EEEDLO C=CC[C@@H]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000666125191 472314538 /nfs/dbraw/zinc/31/45/38/472314538.db2.gz VFUSBSHUKBEQCN-MRXNPFEDSA-N 1 2 347.463 2.035 20 30 EEEDLO N#Cc1sccc1N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000595633645 485606925 /nfs/dbraw/zinc/60/69/25/485606925.db2.gz RMRAPRCFAHJKGT-UHFFFAOYSA-N 1 2 332.473 2.144 20 30 EEEDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000160008166 533993014 /nfs/dbraw/zinc/99/30/14/533993014.db2.gz HIIMPQYEIQUHBE-MRXNPFEDSA-N 1 2 347.484 2.387 20 30 EEEDLO C=CCN(CCOC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000191974302 526296197 /nfs/dbraw/zinc/29/61/97/526296197.db2.gz OLCYRBHLMFQYNP-UHFFFAOYSA-N 1 2 330.344 2.055 20 30 EEEDLO C=CCOc1ccc(C[N@H+](CCS(C)(=O)=O)C2CC2)cc1OC ZINC000131892784 526863764 /nfs/dbraw/zinc/86/37/64/526863764.db2.gz BFDCOWKONQKEIY-UHFFFAOYSA-N 1 2 339.457 2.269 20 30 EEEDLO C=CCOc1ccc(C[N@@H+](CCS(C)(=O)=O)C2CC2)cc1OC ZINC000131892784 526863771 /nfs/dbraw/zinc/86/37/71/526863771.db2.gz BFDCOWKONQKEIY-UHFFFAOYSA-N 1 2 339.457 2.269 20 30 EEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105298852 526906050 /nfs/dbraw/zinc/90/60/50/526906050.db2.gz IAJSQFSKJAHYTM-HZPDHXFCSA-N 1 2 347.434 2.080 20 30 EEEDLO C=CCOc1cccc(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000105017779 526916212 /nfs/dbraw/zinc/91/62/12/526916212.db2.gz UZFAZUBIKHCGHT-LSDHHAIUSA-N 1 2 333.432 2.482 20 30 EEEDLO NC(=NOCc1cccc(F)c1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000725792406 576027971 /nfs/dbraw/zinc/02/79/71/576027971.db2.gz KIFFTDYACQKGPK-UHFFFAOYSA-N 1 2 343.402 2.495 20 30 EEEDLO CC(C)(C)NC(=S)N[NH+]=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000727257081 576415869 /nfs/dbraw/zinc/41/58/69/576415869.db2.gz TYDFPFMBEOWIIR-UHFFFAOYSA-N 1 2 338.452 2.259 20 30 EEEDLO N#Cc1ccc(C2=CC[N@H+](CN3C[C@@]4(CCOC4)CC3=O)CC2)cc1 ZINC000767986650 577548723 /nfs/dbraw/zinc/54/87/23/577548723.db2.gz PERQNKXEQWDEMO-HXUWFJFHSA-N 1 2 337.423 2.244 20 30 EEEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C[C@@]4(CCOC4)CC3=O)CC2)cc1 ZINC000767986650 577548724 /nfs/dbraw/zinc/54/87/24/577548724.db2.gz PERQNKXEQWDEMO-HXUWFJFHSA-N 1 2 337.423 2.244 20 30 EEEDLO C#CCOc1ccccc1-c1noc(-c2ccc(-n3cc[nH+]c3)nn2)n1 ZINC000761989634 577692963 /nfs/dbraw/zinc/69/29/63/577692963.db2.gz LJIOTUFMGJYODA-UHFFFAOYSA-N 1 2 344.334 2.391 20 30 EEEDLO Cc1ccc(S(=O)(=O)CC(C)N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1 ZINC000753938592 577796886 /nfs/dbraw/zinc/79/68/86/577796886.db2.gz KKTLLUTUYCZEEZ-HZPDHXFCSA-N 1 2 348.472 2.005 20 30 EEEDLO CC[C@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)CCS1 ZINC000744424437 577897503 /nfs/dbraw/zinc/89/75/03/577897503.db2.gz LFIFHFSRBXHROK-ZDUSSCGKSA-N 1 2 328.441 2.247 20 30 EEEDLO CC[C@H]1C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)CCS1 ZINC000744424437 577897504 /nfs/dbraw/zinc/89/75/04/577897504.db2.gz LFIFHFSRBXHROK-ZDUSSCGKSA-N 1 2 328.441 2.247 20 30 EEEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000745086164 577908414 /nfs/dbraw/zinc/90/84/14/577908414.db2.gz KBMXUBZIPDXMPX-SJORKVTESA-N 1 2 341.411 2.081 20 30 EEEDLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000745086164 577908415 /nfs/dbraw/zinc/90/84/15/577908415.db2.gz KBMXUBZIPDXMPX-SJORKVTESA-N 1 2 341.411 2.081 20 30 EEEDLO Cc1cccn2cc(CCNC(=O)Cc3ccc(OCC#N)cc3)[nH+]c12 ZINC000746540993 577929764 /nfs/dbraw/zinc/92/97/64/577929764.db2.gz ZKCRPGRSDBQQTD-UHFFFAOYSA-N 1 2 348.406 2.447 20 30 EEEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2nc3ccccc3o2)C1 ZINC000969462003 675058004 /nfs/dbraw/zinc/05/80/04/675058004.db2.gz CDLZGTONJNIUTB-LBPRGKRZSA-N 1 2 349.394 2.278 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000970512241 675950479 /nfs/dbraw/zinc/95/04/79/675950479.db2.gz GJHHWACDWNFAHC-ZBEGNZNMSA-N 1 2 338.810 2.318 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnn3cccc(OC)c23)C1 ZINC000970598993 676012459 /nfs/dbraw/zinc/01/24/59/676012459.db2.gz BQPKQZIKVOWIKR-GFCCVEGCSA-N 1 2 348.834 2.146 20 30 EEEDLO Cc1conc1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970703710 676091078 /nfs/dbraw/zinc/09/10/78/676091078.db2.gz WUGQANWHONLLKW-GFCCVEGCSA-N 1 2 342.374 2.244 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2CC3(C2)CCOCC3)C1 ZINC000970737198 676115167 /nfs/dbraw/zinc/11/51/67/676115167.db2.gz KYBKIGLRVRSSJF-ZDUSSCGKSA-N 1 2 326.868 2.382 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001021488918 676136299 /nfs/dbraw/zinc/13/62/99/676136299.db2.gz JQWUYOZDZGZXGC-LSDHHAIUSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2n[nH]c3c2CCCCC3)C1 ZINC000970869167 676207851 /nfs/dbraw/zinc/20/78/51/676207851.db2.gz PCKRUSDDRHEDCA-GFCCVEGCSA-N 1 2 336.867 2.481 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC000970080494 675456340 /nfs/dbraw/zinc/45/63/40/675456340.db2.gz VPSGBRCDFMCEPO-CYBMUJFWSA-N 1 2 349.862 2.125 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc3ccccc3nn2)C1 ZINC000970247250 675740723 /nfs/dbraw/zinc/74/07/23/675740723.db2.gz BPCXBJFFXHAKBJ-LBPRGKRZSA-N 1 2 330.819 2.432 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](Cc3ccc(F)cn3)C2)cc1 ZINC000970254252 675749106 /nfs/dbraw/zinc/74/91/06/675749106.db2.gz ZTHGEAYFHSQZDT-CQSZACIVSA-N 1 2 337.398 2.452 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2c(C)noc2C)C1 ZINC000971054411 676344528 /nfs/dbraw/zinc/34/45/28/676344528.db2.gz IVWFHGSCTOJQGH-GFCCVEGCSA-N 1 2 342.237 2.346 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2c(C)noc2C)C1 ZINC000971054411 676344530 /nfs/dbraw/zinc/34/45/30/676344530.db2.gz IVWFHGSCTOJQGH-GFCCVEGCSA-N 1 2 342.237 2.346 20 30 EEEDLO CC[C@H](OC)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971191583 676435726 /nfs/dbraw/zinc/43/57/26/676435726.db2.gz NLAJKKIYBPMOSE-SJORKVTESA-N 1 2 333.407 2.155 20 30 EEEDLO CC[C@H](OC)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971191583 676435727 /nfs/dbraw/zinc/43/57/27/676435727.db2.gz NLAJKKIYBPMOSE-SJORKVTESA-N 1 2 333.407 2.155 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc2c(c1)CCCO2 ZINC000891394897 676553360 /nfs/dbraw/zinc/55/33/60/676553360.db2.gz JEBGFRGYEJFOFG-UHFFFAOYSA-N 1 2 329.444 2.059 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001021938764 676554731 /nfs/dbraw/zinc/55/47/31/676554731.db2.gz ZJZGHXZJLOIZGD-ZSZQSSIHSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001021938764 676554732 /nfs/dbraw/zinc/55/47/32/676554732.db2.gz ZJZGHXZJLOIZGD-ZSZQSSIHSA-N 1 2 344.459 2.004 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnsc3Cl)C2)cc1 ZINC001022526916 677825108 /nfs/dbraw/zinc/82/51/08/677825108.db2.gz OHWAHRFVPPVILU-BETUJISGSA-N 1 2 346.843 2.223 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Oc3ccccc3F)C2)C1 ZINC000972389102 678666516 /nfs/dbraw/zinc/66/65/16/678666516.db2.gz DOZYNWCQYQQBEI-DNVCBOLYSA-N 1 2 348.418 2.082 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Oc3ccccc3F)C2)C1 ZINC000972389102 678666522 /nfs/dbraw/zinc/66/65/22/678666522.db2.gz DOZYNWCQYQQBEI-DNVCBOLYSA-N 1 2 348.418 2.082 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC(F)(F)C3)C2)C1 ZINC000972404424 678692957 /nfs/dbraw/zinc/69/29/57/678692957.db2.gz DBZXLPJVPLEOQX-GDBMZVCRSA-N 1 2 328.403 2.301 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC(F)(F)C3)C2)C1 ZINC000972404424 678692964 /nfs/dbraw/zinc/69/29/64/678692964.db2.gz DBZXLPJVPLEOQX-GDBMZVCRSA-N 1 2 328.403 2.301 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cscc3Cl)C2)C1 ZINC000972424563 678723296 /nfs/dbraw/zinc/72/32/96/678723296.db2.gz JXJUJAVYTWHSIL-INIZCTEOSA-N 1 2 338.860 2.342 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cscc3Cl)C2)C1 ZINC000972424563 678723297 /nfs/dbraw/zinc/72/32/97/678723297.db2.gz JXJUJAVYTWHSIL-INIZCTEOSA-N 1 2 338.860 2.342 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)ccc3OC)C2)C1 ZINC000972456039 678780873 /nfs/dbraw/zinc/78/08/73/678780873.db2.gz QCKBFQQXQGSPFK-IBGZPJMESA-N 1 2 330.428 2.107 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)ccc3OC)C2)C1 ZINC000972456039 678780874 /nfs/dbraw/zinc/78/08/74/678780874.db2.gz QCKBFQQXQGSPFK-IBGZPJMESA-N 1 2 330.428 2.107 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@@H]4C[C@@H]4CC3)C2)C1 ZINC000972479064 678843493 /nfs/dbraw/zinc/84/34/93/678843493.db2.gz PUJKAVXYKYJENF-DMUMMCEESA-N 1 2 330.472 2.139 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@@H]4C[C@@H]4CC3)C2)C1 ZINC000972479064 678843496 /nfs/dbraw/zinc/84/34/96/678843496.db2.gz PUJKAVXYKYJENF-DMUMMCEESA-N 1 2 330.472 2.139 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cccc(C)c3)C2)C1 ZINC000972488238 678882170 /nfs/dbraw/zinc/88/21/70/678882170.db2.gz UIXNXNLYSGUQQC-NRFANRHFSA-N 1 2 340.467 2.254 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cccc(C)c3)C2)C1 ZINC000972488238 678882171 /nfs/dbraw/zinc/88/21/71/678882171.db2.gz UIXNXNLYSGUQQC-NRFANRHFSA-N 1 2 340.467 2.254 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)s2)C1 ZINC000972522129 679156464 /nfs/dbraw/zinc/15/64/64/679156464.db2.gz GUFWKTVQNMAHEB-VYDXJSESSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)s2)C1 ZINC000972522129 679156465 /nfs/dbraw/zinc/15/64/65/679156465.db2.gz GUFWKTVQNMAHEB-VYDXJSESSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H](CNC(=O)c2ocnc2C)C1 ZINC001023292619 679234541 /nfs/dbraw/zinc/23/45/41/679234541.db2.gz YXRLPXBVKVJWOX-LBPRGKRZSA-N 1 2 342.237 2.333 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H](CNC(=O)c2ocnc2C)C1 ZINC001023292619 679234542 /nfs/dbraw/zinc/23/45/42/679234542.db2.gz YXRLPXBVKVJWOX-LBPRGKRZSA-N 1 2 342.237 2.333 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3csc(C4CC4)n3)C2)C1 ZINC000972581570 679347890 /nfs/dbraw/zinc/34/78/90/679347890.db2.gz AUPJZIFVGQXJKJ-SFHVURJKSA-N 1 2 347.484 2.052 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3csc(C4CC4)n3)C2)C1 ZINC000972581570 679347891 /nfs/dbraw/zinc/34/78/91/679347891.db2.gz AUPJZIFVGQXJKJ-SFHVURJKSA-N 1 2 347.484 2.052 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc(C)nc3C(C)C)C2)C1 ZINC000972583283 679353034 /nfs/dbraw/zinc/35/30/34/679353034.db2.gz SCVZYMCYYATQKI-LJQANCHMSA-N 1 2 344.459 2.011 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc(C)nc3C(C)C)C2)C1 ZINC000972583283 679353037 /nfs/dbraw/zinc/35/30/37/679353037.db2.gz SCVZYMCYYATQKI-LJQANCHMSA-N 1 2 344.459 2.011 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3csc(Cl)c3)C2)C1 ZINC000972583720 679356130 /nfs/dbraw/zinc/35/61/30/679356130.db2.gz XNRYVXKCAXUZJD-MRXNPFEDSA-N 1 2 338.860 2.342 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3csc(Cl)c3)C2)C1 ZINC000972583720 679356131 /nfs/dbraw/zinc/35/61/31/679356131.db2.gz XNRYVXKCAXUZJD-MRXNPFEDSA-N 1 2 338.860 2.342 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2ccco2)C1 ZINC000972593148 679382738 /nfs/dbraw/zinc/38/27/38/679382738.db2.gz QDLVXVXFOYNFPF-GFCCVEGCSA-N 1 2 327.222 2.263 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2ccco2)C1 ZINC000972593148 679382739 /nfs/dbraw/zinc/38/27/39/679382739.db2.gz QDLVXVXFOYNFPF-GFCCVEGCSA-N 1 2 327.222 2.263 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4ccncc43)C2)C1 ZINC000972621685 679441835 /nfs/dbraw/zinc/44/18/35/679441835.db2.gz NXHDNLOASHTNMD-FQEVSTJZSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4ccncc43)C2)C1 ZINC000972621685 679441839 /nfs/dbraw/zinc/44/18/39/679441839.db2.gz NXHDNLOASHTNMD-FQEVSTJZSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn(CCCC)c3C)C2)C1 ZINC000972632787 679464253 /nfs/dbraw/zinc/46/42/53/679464253.db2.gz UWFJHLIYJJXZID-LJQANCHMSA-N 1 2 346.475 2.095 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn(CCCC)c3C)C2)C1 ZINC000972632787 679464254 /nfs/dbraw/zinc/46/42/54/679464254.db2.gz UWFJHLIYJJXZID-LJQANCHMSA-N 1 2 346.475 2.095 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C)cc3OC)C2)C1 ZINC000972642058 679483025 /nfs/dbraw/zinc/48/30/25/679483025.db2.gz CUVIZMWBZSUKJX-IBGZPJMESA-N 1 2 330.428 2.107 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C)cc3OC)C2)C1 ZINC000972642058 679483026 /nfs/dbraw/zinc/48/30/26/679483026.db2.gz CUVIZMWBZSUKJX-IBGZPJMESA-N 1 2 330.428 2.107 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC(C)(C)c3ccccc3)C2)C1 ZINC000972683647 679598307 /nfs/dbraw/zinc/59/83/07/679598307.db2.gz DWMXJWKTUFZYLX-NRFANRHFSA-N 1 2 340.467 2.291 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC(C)(C)c3ccccc3)C2)C1 ZINC000972683647 679598308 /nfs/dbraw/zinc/59/83/08/679598308.db2.gz DWMXJWKTUFZYLX-NRFANRHFSA-N 1 2 340.467 2.291 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3cccc(OC)c3)C2)C1 ZINC000972688758 679605727 /nfs/dbraw/zinc/60/57/27/679605727.db2.gz PSDIDKBOXLAINJ-UZLBHIALSA-N 1 2 344.455 2.288 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3cccc(OC)c3)C2)C1 ZINC000972688758 679605732 /nfs/dbraw/zinc/60/57/32/679605732.db2.gz PSDIDKBOXLAINJ-UZLBHIALSA-N 1 2 344.455 2.288 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=C)Br)C2)cn1 ZINC000972756449 679749795 /nfs/dbraw/zinc/74/97/95/679749795.db2.gz MERAKFOWYYDKRX-OAHLLOKOSA-N 1 2 348.244 2.118 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)CC(=C)Br)C2)cn1 ZINC000972756449 679749794 /nfs/dbraw/zinc/74/97/94/679749794.db2.gz MERAKFOWYYDKRX-OAHLLOKOSA-N 1 2 348.244 2.118 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001058571155 679805899 /nfs/dbraw/zinc/80/58/99/679805899.db2.gz AMPAASPVYJJKCB-ZACQAIPSSA-N 1 2 344.459 2.078 20 30 EEEDLO O=C(NC[C@@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1)c1cocn1 ZINC001024362182 679879560 /nfs/dbraw/zinc/87/95/60/679879560.db2.gz GSZDKDOWIWCSLJ-KRWDZBQOSA-N 1 2 341.386 2.450 20 30 EEEDLO O=C(NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1)c1cocn1 ZINC001024362182 679879561 /nfs/dbraw/zinc/87/95/61/679879561.db2.gz GSZDKDOWIWCSLJ-KRWDZBQOSA-N 1 2 341.386 2.450 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C(N)=O)cc1 ZINC001024795771 681449907 /nfs/dbraw/zinc/44/99/07/681449907.db2.gz SIQWGEVQBJTBJY-OAHLLOKOSA-N 1 2 335.835 2.122 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C(N)=O)cc1 ZINC001024795771 681449910 /nfs/dbraw/zinc/44/99/10/681449910.db2.gz SIQWGEVQBJTBJY-OAHLLOKOSA-N 1 2 335.835 2.122 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC000982892129 681470019 /nfs/dbraw/zinc/47/00/19/681470019.db2.gz DYTDPLFWUCJTLZ-HNNXBMFYSA-N 1 2 344.459 2.053 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC000982892129 681470024 /nfs/dbraw/zinc/47/00/24/681470024.db2.gz DYTDPLFWUCJTLZ-HNNXBMFYSA-N 1 2 344.459 2.053 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)n1 ZINC001059081147 681732682 /nfs/dbraw/zinc/73/26/82/681732682.db2.gz VJOUAWDRJBIOEJ-HOCLYGCPSA-N 1 2 338.415 2.122 20 30 EEEDLO Cc1ncoc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)CC1(C)C ZINC000972998974 681818728 /nfs/dbraw/zinc/81/87/28/681818728.db2.gz QSXUAGVPSYIGKV-QGZVFWFLSA-N 1 2 337.423 2.475 20 30 EEEDLO Cc1ncoc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC1(C)C ZINC000972998974 681818737 /nfs/dbraw/zinc/81/87/37/681818737.db2.gz QSXUAGVPSYIGKV-QGZVFWFLSA-N 1 2 337.423 2.475 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@H]2CCN(c3ncccc3C#N)C2)c(C)[nH+]1 ZINC001058614789 682066427 /nfs/dbraw/zinc/06/64/27/682066427.db2.gz VXYNVUAVFPDQDD-INIZCTEOSA-N 1 2 335.411 2.282 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC000983708204 683148543 /nfs/dbraw/zinc/14/85/43/683148543.db2.gz PQDZJFWCOSMGCP-JKSUJKDBSA-N 1 2 344.459 2.242 20 30 EEEDLO Cc1c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)cnn1C ZINC001029213374 683551564 /nfs/dbraw/zinc/55/15/64/683551564.db2.gz BDNMNLPGHSTRHR-KDURUIRLSA-N 1 2 348.450 2.069 20 30 EEEDLO Cc1c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)cnn1C ZINC001029213374 683551566 /nfs/dbraw/zinc/55/15/66/683551566.db2.gz BDNMNLPGHSTRHR-KDURUIRLSA-N 1 2 348.450 2.069 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](Cc2ccc(CF)cc2)C1 ZINC001031087963 683712010 /nfs/dbraw/zinc/71/20/10/683712010.db2.gz DEGFXLOLQCVFJC-ROUUACIJSA-N 1 2 332.419 2.438 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)Cc3nocc3C)C2)cn1 ZINC001027656770 693815918 /nfs/dbraw/zinc/81/59/18/693815918.db2.gz YWGYMWLXGYHRFN-KRWDZBQOSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3nocc3C)C2)cn1 ZINC001027656770 693815922 /nfs/dbraw/zinc/81/59/22/693815922.db2.gz YWGYMWLXGYHRFN-KRWDZBQOSA-N 1 2 338.411 2.096 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C)ncn2)C1 ZINC001029465329 684830799 /nfs/dbraw/zinc/83/07/99/684830799.db2.gz RSSMCLMHZSRWBO-CALCHBBNSA-N 1 2 326.444 2.317 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C)ncn2)C1 ZINC001029465329 684830800 /nfs/dbraw/zinc/83/08/00/684830800.db2.gz RSSMCLMHZSRWBO-CALCHBBNSA-N 1 2 326.444 2.317 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2n[nH]cc2F)C[C@@H]1C ZINC000947698651 684974556 /nfs/dbraw/zinc/97/45/56/684974556.db2.gz QOSGDQQMMXYSNP-VHSXEESVSA-N 1 2 345.216 2.040 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]cc2F)C[C@@H]1C ZINC000947698651 684974558 /nfs/dbraw/zinc/97/45/58/684974558.db2.gz QOSGDQQMMXYSNP-VHSXEESVSA-N 1 2 345.216 2.040 20 30 EEEDLO N#Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)cc1 ZINC001026855433 685190645 /nfs/dbraw/zinc/19/06/45/685190645.db2.gz HFYVGRHGFCGRMG-KGLIPLIRSA-N 1 2 343.324 2.397 20 30 EEEDLO N#Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)cc1 ZINC001026855433 685190646 /nfs/dbraw/zinc/19/06/46/685190646.db2.gz HFYVGRHGFCGRMG-KGLIPLIRSA-N 1 2 343.324 2.397 20 30 EEEDLO N#Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)c1 ZINC001026855382 685190678 /nfs/dbraw/zinc/19/06/78/685190678.db2.gz GGRUQVWMISGYLF-KBPBESRZSA-N 1 2 343.324 2.397 20 30 EEEDLO N#Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)c1 ZINC001026855382 685190680 /nfs/dbraw/zinc/19/06/80/685190680.db2.gz GGRUQVWMISGYLF-KBPBESRZSA-N 1 2 343.324 2.397 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2nc(C)c(C)o2)CC1(C)C ZINC000975067270 686094228 /nfs/dbraw/zinc/09/42/28/686094228.db2.gz VRJABNUMSATPJW-PMPSAXMXSA-N 1 2 347.459 2.209 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2nc(C)c(C)o2)CC1(C)C ZINC000975067270 686094232 /nfs/dbraw/zinc/09/42/32/686094232.db2.gz VRJABNUMSATPJW-PMPSAXMXSA-N 1 2 347.459 2.209 20 30 EEEDLO C=C1CC(C)(C(=O)NCC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001059560137 687104917 /nfs/dbraw/zinc/10/49/17/687104917.db2.gz GRZYYNNGPUIVKO-OAHLLOKOSA-N 1 2 344.459 2.053 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nnc(C3CC3)n2C)C1 ZINC001029801845 687128022 /nfs/dbraw/zinc/12/80/22/687128022.db2.gz SDMSNSSIPVAATJ-AWEZNQCLSA-N 1 2 345.491 2.185 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2nnc(C3CC3)n2C)C1 ZINC001029801845 687128023 /nfs/dbraw/zinc/12/80/23/687128023.db2.gz SDMSNSSIPVAATJ-AWEZNQCLSA-N 1 2 345.491 2.185 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ncnn2CC(C)C)C1 ZINC001029801967 687128412 /nfs/dbraw/zinc/12/84/12/687128412.db2.gz TZUSBQSKXAFPOH-INIZCTEOSA-N 1 2 347.507 2.427 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ncnn2CC(C)C)C1 ZINC001029801967 687128413 /nfs/dbraw/zinc/12/84/13/687128413.db2.gz TZUSBQSKXAFPOH-INIZCTEOSA-N 1 2 347.507 2.427 20 30 EEEDLO C[N@H+](Cc1nccn1C(F)F)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027405103 687962670 /nfs/dbraw/zinc/96/26/70/687962670.db2.gz BFCJBJXKEOINMG-AWEZNQCLSA-N 1 2 336.386 2.114 20 30 EEEDLO C[N@@H+](Cc1nccn1C(F)F)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027405103 687962673 /nfs/dbraw/zinc/96/26/73/687962673.db2.gz BFCJBJXKEOINMG-AWEZNQCLSA-N 1 2 336.386 2.114 20 30 EEEDLO CCc1nnc([C@@H](C)[N@H+](C)[C@H]2CCCN(C(=O)C#CC3CC3)C2)o1 ZINC001027408386 687981186 /nfs/dbraw/zinc/98/11/86/687981186.db2.gz OGFGIOCFQUQWMF-HIFRSBDPSA-N 1 2 330.432 2.029 20 30 EEEDLO CCc1nnc([C@@H](C)[N@@H+](C)[C@H]2CCCN(C(=O)C#CC3CC3)C2)o1 ZINC001027408386 687981190 /nfs/dbraw/zinc/98/11/90/687981190.db2.gz OGFGIOCFQUQWMF-HIFRSBDPSA-N 1 2 330.432 2.029 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cncc3nc[nH]c32)C1 ZINC001027422098 688046790 /nfs/dbraw/zinc/04/67/90/688046790.db2.gz WVXRYDJOJXNIQM-GFCCVEGCSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cncc3nc[nH]c32)C1 ZINC001027422098 688046794 /nfs/dbraw/zinc/04/67/94/688046794.db2.gz WVXRYDJOJXNIQM-GFCCVEGCSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2c[nH]cc3ncnc2-3)C1 ZINC001027422098 688046800 /nfs/dbraw/zinc/04/68/00/688046800.db2.gz WVXRYDJOJXNIQM-GFCCVEGCSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)c2c[nH]cc3ncnc2-3)C1 ZINC001027422098 688046805 /nfs/dbraw/zinc/04/68/05/688046805.db2.gz WVXRYDJOJXNIQM-GFCCVEGCSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(C)CCC(=O)NCC[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001059717724 688584449 /nfs/dbraw/zinc/58/44/49/688584449.db2.gz FYDJFLYXYFULPF-HZPDHXFCSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C(C)CCC(=O)NCC[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001059717724 688584450 /nfs/dbraw/zinc/58/44/50/688584450.db2.gz FYDJFLYXYFULPF-HZPDHXFCSA-N 1 2 346.475 2.299 20 30 EEEDLO C=CCCC(=O)NCC[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001059884291 690623729 /nfs/dbraw/zinc/62/37/29/690623729.db2.gz QMNUGYDAJMRBPF-CQSZACIVSA-N 1 2 340.427 2.498 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3nonc3C)C2)cc1 ZINC001027518021 692574867 /nfs/dbraw/zinc/57/48/67/692574867.db2.gz NOZUGOULASKXMA-QGZVFWFLSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3nonc3C)C2)cc1 ZINC001027518021 692574871 /nfs/dbraw/zinc/57/48/71/692574871.db2.gz NOZUGOULASKXMA-QGZVFWFLSA-N 1 2 338.411 2.096 20 30 EEEDLO C=C1CCC(C(=O)N(C)C[C@H]2CCN2C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000978343844 693513356 /nfs/dbraw/zinc/51/33/56/693513356.db2.gz WNFSQZOKEKYFKC-MRXNPFEDSA-N 1 2 344.459 2.066 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)C2CCCCCCC2)C1=O ZINC001038494718 693644067 /nfs/dbraw/zinc/64/40/67/693644067.db2.gz WRHFYJMZGICELP-MSOLQXFVSA-N 1 2 347.503 2.324 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)C2CCCCCCC2)C1=O ZINC001038494718 693644069 /nfs/dbraw/zinc/64/40/69/693644069.db2.gz WRHFYJMZGICELP-MSOLQXFVSA-N 1 2 347.503 2.324 20 30 EEEDLO Cc1nc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)c(C)o1 ZINC001032069858 1192129468 /nfs/dbraw/zinc/12/94/68/1192129468.db2.gz DIPAJLDQFFVKPE-UHFFFAOYSA-N 1 2 342.374 2.164 20 30 EEEDLO Cc1cnoc1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001032096920 1192467600 /nfs/dbraw/zinc/46/76/00/1192467600.db2.gz JFJIENYSCYNZLO-UHFFFAOYSA-N 1 2 343.814 2.350 20 30 EEEDLO CCc1noc(C)c1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001032181685 1192832379 /nfs/dbraw/zinc/83/23/79/1192832379.db2.gz QTTIXMMACWBRQT-UHFFFAOYSA-N 1 2 344.440 2.340 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@H](C[N@@H+](C)Cc2ncnn2C)C1 ZINC001752508382 1181914750 /nfs/dbraw/zinc/91/47/50/1181914750.db2.gz SDRRWCVYQBLJGB-OAHLLOKOSA-N 1 2 333.480 2.088 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@H](C[N@H+](C)Cc2ncnn2C)C1 ZINC001752508382 1181914752 /nfs/dbraw/zinc/91/47/52/1181914752.db2.gz SDRRWCVYQBLJGB-OAHLLOKOSA-N 1 2 333.480 2.088 20 30 EEEDLO N#C[C@H](Cc1cccs1)C(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001270389653 1185068581 /nfs/dbraw/zinc/06/85/81/1185068581.db2.gz VLMGTZGLXNCKHE-AWEZNQCLSA-N 1 2 340.452 2.103 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000945040691 1193340252 /nfs/dbraw/zinc/34/02/52/1193340252.db2.gz KPZVVWZUDKVXJD-SFHVURJKSA-N 1 2 344.459 2.006 20 30 EEEDLO N#Cc1ccccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(=O)[nH]1 ZINC001270805024 1185404275 /nfs/dbraw/zinc/40/42/75/1185404275.db2.gz YROHHTDRMZZPRX-CALCHBBNSA-N 1 2 348.406 2.148 20 30 EEEDLO N#Cc1ccccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(=O)[nH]1 ZINC001270805024 1185404277 /nfs/dbraw/zinc/40/42/77/1185404277.db2.gz YROHHTDRMZZPRX-CALCHBBNSA-N 1 2 348.406 2.148 20 30 EEEDLO CCC(CC)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001211904249 1186799094 /nfs/dbraw/zinc/79/90/94/1186799094.db2.gz ZMMHHRGZVGZRJK-RTBURBONSA-N 1 2 346.446 2.429 20 30 EEEDLO CCC(CC)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001211904249 1186799103 /nfs/dbraw/zinc/79/91/03/1186799103.db2.gz ZMMHHRGZVGZRJK-RTBURBONSA-N 1 2 346.446 2.429 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCc3cccs3)nn2)C1 ZINC001107234693 1193453261 /nfs/dbraw/zinc/45/32/61/1193453261.db2.gz QBUUREZVEHYHPU-UHFFFAOYSA-N 1 2 345.472 2.021 20 30 EEEDLO Cc1ncoc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088508130 1187089369 /nfs/dbraw/zinc/08/93/69/1187089369.db2.gz PTRKGUNVIIQHAB-RISCZKNCSA-N 1 2 330.413 2.309 20 30 EEEDLO Cc1ncoc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088508130 1187089371 /nfs/dbraw/zinc/08/93/71/1187089371.db2.gz PTRKGUNVIIQHAB-RISCZKNCSA-N 1 2 330.413 2.309 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCCO2)[C@H]1C ZINC001088516893 1187131832 /nfs/dbraw/zinc/13/18/32/1187131832.db2.gz ORLMYALMDLNFJC-RDBSUJKOSA-N 1 2 345.281 2.433 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCCO2)[C@H]1C ZINC001088516893 1187131835 /nfs/dbraw/zinc/13/18/35/1187131835.db2.gz ORLMYALMDLNFJC-RDBSUJKOSA-N 1 2 345.281 2.433 20 30 EEEDLO C=CCOCC(=O)N[C@@H](C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001126719763 1187374461 /nfs/dbraw/zinc/37/44/61/1187374461.db2.gz WCPTVZPYKZSXMA-HNNXBMFYSA-N 1 2 346.475 2.326 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C[C@@H]2C2CC2)cc1C#N ZINC001272119476 1187927568 /nfs/dbraw/zinc/92/75/68/1187927568.db2.gz RBPIPBUBKQNHEU-JFRXWTBNSA-N 1 2 338.455 2.118 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C[C@@H]2C2CC2)cc1C#N ZINC001272119476 1187927571 /nfs/dbraw/zinc/92/75/71/1187927571.db2.gz RBPIPBUBKQNHEU-JFRXWTBNSA-N 1 2 338.455 2.118 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001105569740 1188183306 /nfs/dbraw/zinc/18/33/06/1188183306.db2.gz QVLKJOMOQJYBGW-CVEARBPZSA-N 1 2 344.459 2.148 20 30 EEEDLO C=CCC[N@H+]1CC[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)[C@H]1C ZINC001088697831 1188298016 /nfs/dbraw/zinc/29/80/16/1188298016.db2.gz MKBKLAGLJGESEI-CJNGLKHVSA-N 1 2 325.412 2.297 20 30 EEEDLO C=CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)[C@H]1C ZINC001088697831 1188298018 /nfs/dbraw/zinc/29/80/18/1188298018.db2.gz MKBKLAGLJGESEI-CJNGLKHVSA-N 1 2 325.412 2.297 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C(C)=C3CCCC3)C2)nn1 ZINC001098652009 1188349079 /nfs/dbraw/zinc/34/90/79/1188349079.db2.gz IVVWKPYHHXEEDG-SFHVURJKSA-N 1 2 341.459 2.055 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C(F)F)nn3C)[C@@H]2C1 ZINC001076034772 1188680051 /nfs/dbraw/zinc/68/00/51/1188680051.db2.gz CBRUQWKBOWOXHR-GXFFZTMASA-N 1 2 344.793 2.257 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C(F)F)nn3C)[C@@H]2C1 ZINC001076034772 1188680054 /nfs/dbraw/zinc/68/00/54/1188680054.db2.gz CBRUQWKBOWOXHR-GXFFZTMASA-N 1 2 344.793 2.257 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4nccc(C)n4)C[C@H]32)cc1 ZINC001076117393 1188727559 /nfs/dbraw/zinc/72/75/59/1188727559.db2.gz IQKFPBWQSRKFBW-RBUKOAKNSA-N 1 2 346.434 2.113 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4nccc(C)n4)C[C@H]32)cc1 ZINC001076117393 1188727563 /nfs/dbraw/zinc/72/75/63/1188727563.db2.gz IQKFPBWQSRKFBW-RBUKOAKNSA-N 1 2 346.434 2.113 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4n3CCCC4)[C@@H]2C1 ZINC001076162678 1188757600 /nfs/dbraw/zinc/75/76/00/1188757600.db2.gz PXZNBFZQUOJRDT-DZGCQCFKSA-N 1 2 334.851 2.118 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4n3CCCC4)[C@@H]2C1 ZINC001076162678 1188757602 /nfs/dbraw/zinc/75/76/02/1188757602.db2.gz PXZNBFZQUOJRDT-DZGCQCFKSA-N 1 2 334.851 2.118 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001076319703 1188850813 /nfs/dbraw/zinc/85/08/13/1188850813.db2.gz FTMYDFHSFQXJKX-AWEZNQCLSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C(C)CCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001076796996 1189168018 /nfs/dbraw/zinc/16/80/18/1189168018.db2.gz NDJGODOBHJLOKN-UONOGXRCSA-N 1 2 332.448 2.197 20 30 EEEDLO O=C(CC1CCC1)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001076840003 1189190608 /nfs/dbraw/zinc/19/06/08/1189190608.db2.gz REEQPEYTSYONPD-QZTJIDSGSA-N 1 2 346.858 2.043 20 30 EEEDLO O=C(CC1CCC1)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001076840003 1189190610 /nfs/dbraw/zinc/19/06/10/1189190610.db2.gz REEQPEYTSYONPD-QZTJIDSGSA-N 1 2 346.858 2.043 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNc1[nH+]cnc2c1cnn2C ZINC001105689528 1189347378 /nfs/dbraw/zinc/34/73/78/1189347378.db2.gz QNRXMTHILYQUEN-TZMCWYRMSA-N 1 2 342.447 2.272 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)/C=C(\C)C3CC3)CC2)C1 ZINC001105691564 1189399862 /nfs/dbraw/zinc/39/98/62/1189399862.db2.gz SMBKQJOBFGMBIO-DTQAZKPQSA-N 1 2 348.487 2.237 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(OC)nn3)[C@@H]2C)CC1 ZINC001088838383 1189614791 /nfs/dbraw/zinc/61/47/91/1189614791.db2.gz GISCFWPPGOJGRF-PBHICJAKSA-N 1 2 344.459 2.311 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(OC)nn3)[C@@H]2C)CC1 ZINC001088838383 1189614793 /nfs/dbraw/zinc/61/47/93/1189614793.db2.gz GISCFWPPGOJGRF-PBHICJAKSA-N 1 2 344.459 2.311 20 30 EEEDLO N#Cc1ccc(NC[C@@H]2CCC[C@@H]2NC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC001105695045 1189648819 /nfs/dbraw/zinc/64/88/19/1189648819.db2.gz RTAMFULJBUBKCC-GUYCJALGSA-N 1 2 338.415 2.006 20 30 EEEDLO N#Cc1ccc(NC[C@@H]2CCC[C@@H]2NC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC001105695045 1189648820 /nfs/dbraw/zinc/64/88/20/1189648820.db2.gz RTAMFULJBUBKCC-GUYCJALGSA-N 1 2 338.415 2.006 20 30 EEEDLO Cc1ncccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)n(C)c1 ZINC001272294115 1190749181 /nfs/dbraw/zinc/74/91/81/1190749181.db2.gz BYPPPNXDPBTMIJ-CALCHBBNSA-N 1 2 349.438 2.089 20 30 EEEDLO Cc1ncccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)n(C)c1 ZINC001272294115 1190749184 /nfs/dbraw/zinc/74/91/84/1190749184.db2.gz BYPPPNXDPBTMIJ-CALCHBBNSA-N 1 2 349.438 2.089 20 30 EEEDLO Cc1ccc(O)c(C[N@@H+]2C[C@]3(F)CN(CCCC#N)C(=O)[C@]3(F)C2)c1 ZINC001272622886 1190936385 /nfs/dbraw/zinc/93/63/85/1190936385.db2.gz UGRUBJIOYLNBCE-ZWKOTPCHSA-N 1 2 349.381 2.079 20 30 EEEDLO Cc1ccc(O)c(C[N@H+]2C[C@]3(F)CN(CCCC#N)C(=O)[C@]3(F)C2)c1 ZINC001272622886 1190936388 /nfs/dbraw/zinc/93/63/88/1190936388.db2.gz UGRUBJIOYLNBCE-ZWKOTPCHSA-N 1 2 349.381 2.079 20 30 EEEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc(C(=O)OCC)[nH]2)C1=O ZINC001272639195 1190946797 /nfs/dbraw/zinc/94/67/97/1190946797.db2.gz XHVQZJJGCYJQCI-LJQANCHMSA-N 1 2 345.443 2.334 20 30 EEEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C(=O)OCC)[nH]2)C1=O ZINC001272639195 1190946798 /nfs/dbraw/zinc/94/67/98/1190946798.db2.gz XHVQZJJGCYJQCI-LJQANCHMSA-N 1 2 345.443 2.334 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2ccc(NC(C)=O)cc2)C1 ZINC001409900493 1190965360 /nfs/dbraw/zinc/96/53/60/1190965360.db2.gz FHLBBYKIRXDSCZ-ZDUSSCGKSA-N 1 2 349.862 2.377 20 30 EEEDLO Cc1ccc([C@@H](C)CC[NH+]2CC3(C2)CN(CCCC#N)C(=O)CO3)o1 ZINC001273125961 1194408754 /nfs/dbraw/zinc/40/87/54/1194408754.db2.gz SAXWAMYCHGVYOY-HNNXBMFYSA-N 1 2 345.443 2.299 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001033588538 1194917366 /nfs/dbraw/zinc/91/73/66/1194917366.db2.gz JMJNYSZBOSWRGO-CQSZACIVSA-N 1 2 349.862 2.287 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001033588538 1194917369 /nfs/dbraw/zinc/91/73/69/1194917369.db2.gz JMJNYSZBOSWRGO-CQSZACIVSA-N 1 2 349.862 2.287 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001033597541 1194929238 /nfs/dbraw/zinc/92/92/38/1194929238.db2.gz SWOZGNXLNJEMRP-OAHLLOKOSA-N 1 2 338.883 2.348 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001033597541 1194929241 /nfs/dbraw/zinc/92/92/41/1194929241.db2.gz SWOZGNXLNJEMRP-OAHLLOKOSA-N 1 2 338.883 2.348 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+]([C@@H](C)c3ncc(C)o3)C2)cn1 ZINC001033599987 1194937177 /nfs/dbraw/zinc/93/71/77/1194937177.db2.gz VWSLOICWIQMSFJ-YOEHRIQHSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+]([C@@H](C)c3ncc(C)o3)C2)cn1 ZINC001033599987 1194937181 /nfs/dbraw/zinc/93/71/81/1194937181.db2.gz VWSLOICWIQMSFJ-YOEHRIQHSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001033617804 1194959180 /nfs/dbraw/zinc/95/91/80/1194959180.db2.gz ZUWRPAJWUOMFTJ-IBGZPJMESA-N 1 2 337.423 2.240 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001033617804 1194959182 /nfs/dbraw/zinc/95/91/82/1194959182.db2.gz ZUWRPAJWUOMFTJ-IBGZPJMESA-N 1 2 337.423 2.240 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]2C)C1 ZINC001005266403 1195048650 /nfs/dbraw/zinc/04/86/50/1195048650.db2.gz KBIKKAAAYNYOAB-HOCLYGCPSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]2C)C1 ZINC001005266403 1195048655 /nfs/dbraw/zinc/04/86/55/1195048655.db2.gz KBIKKAAAYNYOAB-HOCLYGCPSA-N 1 2 344.459 2.052 20 30 EEEDLO CCN(C(=O)c1ccon1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033758793 1195214299 /nfs/dbraw/zinc/21/42/99/1195214299.db2.gz ILEPGRQRWVCOBN-OAHLLOKOSA-N 1 2 342.374 2.422 20 30 EEEDLO CCN(C(=O)c1ccon1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033758793 1195214303 /nfs/dbraw/zinc/21/43/03/1195214303.db2.gz ILEPGRQRWVCOBN-OAHLLOKOSA-N 1 2 342.374 2.422 20 30 EEEDLO CCN(C(=O)c1cocn1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033773300 1195222178 /nfs/dbraw/zinc/22/21/78/1195222178.db2.gz SPMMYMSAIITLAE-OAHLLOKOSA-N 1 2 342.374 2.422 20 30 EEEDLO CCN(C(=O)c1cocn1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033773300 1195222181 /nfs/dbraw/zinc/22/21/81/1195222181.db2.gz SPMMYMSAIITLAE-OAHLLOKOSA-N 1 2 342.374 2.422 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001033786577 1195252931 /nfs/dbraw/zinc/25/29/31/1195252931.db2.gz WZNORKINYWOZHD-HNNXBMFYSA-N 1 2 341.415 2.228 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001033786577 1195252934 /nfs/dbraw/zinc/25/29/34/1195252934.db2.gz WZNORKINYWOZHD-HNNXBMFYSA-N 1 2 341.415 2.228 20 30 EEEDLO CCN(C(=O)c1nccc(C)n1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033811943 1195300235 /nfs/dbraw/zinc/30/02/35/1195300235.db2.gz GSFSZIDEEAHIKB-GOSISDBHSA-N 1 2 349.438 2.393 20 30 EEEDLO CCN(C(=O)c1nccc(C)n1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033811943 1195300240 /nfs/dbraw/zinc/30/02/40/1195300240.db2.gz GSFSZIDEEAHIKB-GOSISDBHSA-N 1 2 349.438 2.393 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]2OCCN(c3cc(C)[nH+]c(CC)n3)[C@H]2C1 ZINC001090175264 1195597381 /nfs/dbraw/zinc/59/73/81/1195597381.db2.gz APKQWJSVJRCAPO-HOTGVXAUSA-N 1 2 344.459 2.120 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cn(C(C)C)nn2)C1 ZINC001034002031 1195625150 /nfs/dbraw/zinc/62/51/50/1195625150.db2.gz RJTJCNOSGODJLC-ZDUSSCGKSA-N 1 2 325.844 2.148 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cn(C(C)C)nn2)C1 ZINC001034002031 1195625156 /nfs/dbraw/zinc/62/51/56/1195625156.db2.gz RJTJCNOSGODJLC-ZDUSSCGKSA-N 1 2 325.844 2.148 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)s1 ZINC001034171279 1195893017 /nfs/dbraw/zinc/89/30/17/1195893017.db2.gz MJGONEFROJZDCN-AWEZNQCLSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1cnc(C[N@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)s1 ZINC001034171279 1195893020 /nfs/dbraw/zinc/89/30/20/1195893020.db2.gz MJGONEFROJZDCN-AWEZNQCLSA-N 1 2 343.456 2.436 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001034428522 1196205441 /nfs/dbraw/zinc/20/54/41/1196205441.db2.gz NDKQGMCBZMNLDC-OAHLLOKOSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001034428522 1196205444 /nfs/dbraw/zinc/20/54/44/1196205444.db2.gz NDKQGMCBZMNLDC-OAHLLOKOSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C(=O)N2CCC[C@H]2CC)C1 ZINC001034479179 1196269553 /nfs/dbraw/zinc/26/95/53/1196269553.db2.gz UBNLEQCNTGSDGJ-LSDHHAIUSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C(=O)N2CCC[C@H]2CC)C1 ZINC001034479179 1196269557 /nfs/dbraw/zinc/26/95/57/1196269557.db2.gz UBNLEQCNTGSDGJ-LSDHHAIUSA-N 1 2 341.883 2.111 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](c2ccncc2)C(C)C)C1 ZINC001108160930 1196740578 /nfs/dbraw/zinc/74/05/78/1196740578.db2.gz XHCRLUXWDKYMOM-IEBWSBKVSA-N 1 2 331.460 2.214 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](c2ccncc2)C(C)C)C1 ZINC001108160930 1196740580 /nfs/dbraw/zinc/74/05/80/1196740580.db2.gz XHCRLUXWDKYMOM-IEBWSBKVSA-N 1 2 331.460 2.214 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CCC)c2ccccn2)C1 ZINC001108162475 1196763079 /nfs/dbraw/zinc/76/30/79/1196763079.db2.gz SZLIUCJHSVVZMT-PXNSSMCTSA-N 1 2 343.471 2.196 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CCC)c2ccccn2)C1 ZINC001108162475 1196763082 /nfs/dbraw/zinc/76/30/82/1196763082.db2.gz SZLIUCJHSVVZMT-PXNSSMCTSA-N 1 2 343.471 2.196 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001014829279 1224413242 /nfs/dbraw/zinc/41/32/42/1224413242.db2.gz OQRGEKQESZRYDL-SFHVURJKSA-N 1 2 345.406 2.390 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001014829279 1224413245 /nfs/dbraw/zinc/41/32/45/1224413245.db2.gz OQRGEKQESZRYDL-SFHVURJKSA-N 1 2 345.406 2.390 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(C)nn(C(C)C)c1C ZINC001018165816 1224416931 /nfs/dbraw/zinc/41/69/31/1224416931.db2.gz MQCLDEUQZJYHMI-HDICACEKSA-N 1 2 342.487 2.322 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(C)nn(C(C)C)c1C ZINC001018165816 1224416938 /nfs/dbraw/zinc/41/69/38/1224416938.db2.gz MQCLDEUQZJYHMI-HDICACEKSA-N 1 2 342.487 2.322 20 30 EEEDLO C#CCN1CCC2(CC[NH+](Cc3ccc(Cl)nc3F)CC2)C1=O ZINC001273205769 1197535578 /nfs/dbraw/zinc/53/55/78/1197535578.db2.gz KTYDYNMXPUKWRA-UHFFFAOYSA-N 1 2 335.810 2.322 20 30 EEEDLO N#CCCCOc1ccc[nH+]c1NCc1cn(C[C@H]2CCCO2)nn1 ZINC000865291075 1198155121 /nfs/dbraw/zinc/15/51/21/1198155121.db2.gz GCTWNUMBFPVRGP-OAHLLOKOSA-N 1 2 342.403 2.147 20 30 EEEDLO Cc1cc([N-][NH+]=Cc2ccccc2N2CCO[C@H](C)C2)nc(N)[nH+]1 ZINC000872420133 1198174709 /nfs/dbraw/zinc/17/47/09/1198174709.db2.gz KMWOQADUUHWORW-CYBMUJFWSA-N 1 2 326.404 2.038 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(N4CCCC4)o3)CC2)c1 ZINC001137067852 1198501563 /nfs/dbraw/zinc/50/15/63/1198501563.db2.gz KXJLOJNKVAMQJY-UHFFFAOYSA-N 1 2 337.427 2.469 20 30 EEEDLO C=CCN1C[C@@]2(F)C[N@@H+](CCCc3cccc(C#N)c3)C[C@@]2(F)C1=O ZINC001273439610 1199004828 /nfs/dbraw/zinc/00/48/28/1199004828.db2.gz MIURJCDMWWZBTA-RBUKOAKNSA-N 1 2 345.393 2.251 20 30 EEEDLO C=CCN1C[C@@]2(F)C[N@H+](CCCc3cccc(C#N)c3)C[C@@]2(F)C1=O ZINC001273439610 1199004836 /nfs/dbraw/zinc/00/48/36/1199004836.db2.gz MIURJCDMWWZBTA-RBUKOAKNSA-N 1 2 345.393 2.251 20 30 EEEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000875106514 1199139057 /nfs/dbraw/zinc/13/90/57/1199139057.db2.gz SSBDNQSHDGKBLZ-PBHICJAKSA-N 1 2 330.432 2.029 20 30 EEEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000875106514 1199139059 /nfs/dbraw/zinc/13/90/59/1199139059.db2.gz SSBDNQSHDGKBLZ-PBHICJAKSA-N 1 2 330.432 2.029 20 30 EEEDLO COc1cc(C[N@@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)on1 ZINC001132037770 1199221407 /nfs/dbraw/zinc/22/14/07/1199221407.db2.gz IFMWLMQTZBKOIX-ZIAGYGMSSA-N 1 2 333.432 2.202 20 30 EEEDLO COc1cc(C[N@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)on1 ZINC001132037770 1199221410 /nfs/dbraw/zinc/22/14/10/1199221410.db2.gz IFMWLMQTZBKOIX-ZIAGYGMSSA-N 1 2 333.432 2.202 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCC(C)C)C1 ZINC001132057978 1199245794 /nfs/dbraw/zinc/24/57/94/1199245794.db2.gz VKUBZYQDKODNBF-FUHWJXTLSA-N 1 2 349.519 2.496 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCC(C)C)C1 ZINC001132057978 1199245797 /nfs/dbraw/zinc/24/57/97/1199245797.db2.gz VKUBZYQDKODNBF-FUHWJXTLSA-N 1 2 349.519 2.496 20 30 EEEDLO C#CCOc1ccc(C[NH2+]C(C)(C)c2cc(C(=O)OC)on2)cc1 ZINC000810166561 1199307448 /nfs/dbraw/zinc/30/74/48/1199307448.db2.gz UXTGMVVQJAQFGO-UHFFFAOYSA-N 1 2 328.368 2.498 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)NCC(C)C)C2)CC1 ZINC001132278426 1199528112 /nfs/dbraw/zinc/52/81/12/1199528112.db2.gz OKHSOFFYQPMUFP-IRXDYDNUSA-N 1 2 349.519 2.474 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)NCC(C)C)C2)CC1 ZINC001132278426 1199528115 /nfs/dbraw/zinc/52/81/15/1199528115.db2.gz OKHSOFFYQPMUFP-IRXDYDNUSA-N 1 2 349.519 2.474 20 30 EEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000814645189 1199654085 /nfs/dbraw/zinc/65/40/85/1199654085.db2.gz YTMVGVPHYLTLDE-AWEZNQCLSA-N 1 2 338.448 2.437 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(-c2cccc(C)c2)no1 ZINC001132398761 1199657038 /nfs/dbraw/zinc/65/70/38/1199657038.db2.gz NZXAHHFVNXOSKD-UHFFFAOYSA-N 1 2 328.416 2.463 20 30 EEEDLO CN(C)c1[nH+]cc(CN=Nc2nnc(-c3ccccc3)s2)n1C ZINC000814947520 1199807699 /nfs/dbraw/zinc/80/76/99/1199807699.db2.gz WOVVIZJDEHKVOB-UHFFFAOYSA-N 1 2 327.417 2.451 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)cn2)C1 ZINC001132530343 1199827676 /nfs/dbraw/zinc/82/76/76/1199827676.db2.gz XBSJFTMUYLBJFZ-WMLDXEAASA-N 1 2 335.423 2.283 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cn2)C1 ZINC001132530343 1199827680 /nfs/dbraw/zinc/82/76/80/1199827680.db2.gz XBSJFTMUYLBJFZ-WMLDXEAASA-N 1 2 335.423 2.283 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+]Cc1nc(Cc2ccccc2)no1 ZINC001132667234 1199915505 /nfs/dbraw/zinc/91/55/05/1199915505.db2.gz HQPURBBTCDCTSP-HNNXBMFYSA-N 1 2 342.443 2.469 20 30 EEEDLO COC(=O)N1CCN(c2ccc(NC[C@H](C)CCC#N)c[nH+]2)CC1 ZINC000877552291 1199964019 /nfs/dbraw/zinc/96/40/19/1199964019.db2.gz BFXPZPMILRURFV-CQSZACIVSA-N 1 2 331.420 2.322 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)Cc2ccc(F)cn2)C1 ZINC001014975067 1224606298 /nfs/dbraw/zinc/60/62/98/1224606298.db2.gz CZNARFAWWPMCOT-SFHVURJKSA-N 1 2 338.386 2.026 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(F)cn2)C1 ZINC001014975067 1224606303 /nfs/dbraw/zinc/60/63/03/1224606303.db2.gz CZNARFAWWPMCOT-SFHVURJKSA-N 1 2 338.386 2.026 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N3CCN(c4ccc(C#N)cc4)CC3)ccn12 ZINC000870091186 1200460658 /nfs/dbraw/zinc/46/06/58/1200460658.db2.gz FFMGIZSQLXAXFP-UHFFFAOYSA-N 1 2 345.406 2.477 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N(C)CCC)cc1 ZINC001018340787 1224626271 /nfs/dbraw/zinc/62/62/71/1224626271.db2.gz LGBXRZNVJKCOCN-KDURUIRLSA-N 1 2 325.456 2.455 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N(C)CCC)cc1 ZINC001018340787 1224626275 /nfs/dbraw/zinc/62/62/75/1224626275.db2.gz LGBXRZNVJKCOCN-KDURUIRLSA-N 1 2 325.456 2.455 20 30 EEEDLO C=C1CCC(C(=O)NCC[NH2+]Cc2nc([C@@H](C)OCC)no2)CC1 ZINC001133365349 1200798814 /nfs/dbraw/zinc/79/88/14/1200798814.db2.gz NLFWSFNNLFXANL-CYBMUJFWSA-N 1 2 336.436 2.119 20 30 EEEDLO CC(C)N(C(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1)C(C)C ZINC000879584685 1201158447 /nfs/dbraw/zinc/15/84/47/1201158447.db2.gz GCHNSFPQMPAKJG-UHFFFAOYSA-N 1 2 328.460 2.326 20 30 EEEDLO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879584988 1201158726 /nfs/dbraw/zinc/15/87/26/1201158726.db2.gz OXYPGCOEKBYCGP-HOTGVXAUSA-N 1 2 328.460 2.374 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2ccc(NC(C)=O)cc2C1 ZINC000880030277 1201355253 /nfs/dbraw/zinc/35/52/53/1201355253.db2.gz KQWYZNTVSHTHEW-AWEZNQCLSA-N 1 2 342.443 2.011 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2ccc(NC(C)=O)cc2C1 ZINC000880030277 1201355258 /nfs/dbraw/zinc/35/52/58/1201355258.db2.gz KQWYZNTVSHTHEW-AWEZNQCLSA-N 1 2 342.443 2.011 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(N(C)C)nc2F)C1=O ZINC001274068231 1204354047 /nfs/dbraw/zinc/35/40/47/1204354047.db2.gz ZMZMAAJPQTVRLP-SFHVURJKSA-N 1 2 332.423 2.040 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(N(C)C)nc2F)C1=O ZINC001274068231 1204354052 /nfs/dbraw/zinc/35/40/52/1204354052.db2.gz ZMZMAAJPQTVRLP-SFHVURJKSA-N 1 2 332.423 2.040 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)cc(Cl)c2O)C1=O ZINC001274442115 1205037754 /nfs/dbraw/zinc/03/77/54/1205037754.db2.gz MIZWUKNCLDQWNY-KRWDZBQOSA-N 1 2 336.794 2.385 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)cc(Cl)c2O)C1=O ZINC001274442115 1205037758 /nfs/dbraw/zinc/03/77/58/1205037758.db2.gz MIZWUKNCLDQWNY-KRWDZBQOSA-N 1 2 336.794 2.385 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(C#N)c(Cl)c2)C1=O ZINC001274493085 1205057291 /nfs/dbraw/zinc/05/72/91/1205057291.db2.gz ZYPYSFHNOFIIAU-GOSISDBHSA-N 1 2 327.815 2.412 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C#N)c(Cl)c2)C1=O ZINC001274493085 1205057294 /nfs/dbraw/zinc/05/72/94/1205057294.db2.gz ZYPYSFHNOFIIAU-GOSISDBHSA-N 1 2 327.815 2.412 20 30 EEEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)c1 ZINC001275550521 1205406609 /nfs/dbraw/zinc/40/66/09/1205406609.db2.gz LFEPXSQEZDKHGY-MJGOQNOKSA-N 1 2 327.428 2.091 20 30 EEEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)c1 ZINC001275550521 1205406611 /nfs/dbraw/zinc/40/66/11/1205406611.db2.gz LFEPXSQEZDKHGY-MJGOQNOKSA-N 1 2 327.428 2.091 20 30 EEEDLO Cn1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2nccs2)cc1C#N ZINC001276183474 1205822468 /nfs/dbraw/zinc/82/24/68/1205822468.db2.gz NDVAWMFAFQEDTH-HOTGVXAUSA-N 1 2 327.457 2.202 20 30 EEEDLO Cn1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2nccs2)cc1C#N ZINC001276183474 1205822470 /nfs/dbraw/zinc/82/24/70/1205822470.db2.gz NDVAWMFAFQEDTH-HOTGVXAUSA-N 1 2 327.457 2.202 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3ncncc3C1)C2 ZINC001095520259 1205854201 /nfs/dbraw/zinc/85/42/01/1205854201.db2.gz GGYWCOSFXIBCMK-YVVXQTMVSA-N 1 2 346.862 2.056 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3ncncc3C1)C2 ZINC001095520259 1205854203 /nfs/dbraw/zinc/85/42/03/1205854203.db2.gz GGYWCOSFXIBCMK-YVVXQTMVSA-N 1 2 346.862 2.056 20 30 EEEDLO COc1cc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)on1 ZINC000926277311 1206210359 /nfs/dbraw/zinc/21/03/59/1206210359.db2.gz ZIFUBRUEMINRRQ-WFASDCNBSA-N 1 2 340.383 2.007 20 30 EEEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000928650175 1206407361 /nfs/dbraw/zinc/40/73/61/1206407361.db2.gz KQOMZZXXZRFNIA-MSOLQXFVSA-N 1 2 329.444 2.301 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000929257008 1206460084 /nfs/dbraw/zinc/46/00/84/1206460084.db2.gz LSIHRPSSKIZKJD-GFCCVEGCSA-N 1 2 336.823 2.396 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc2n(n1)CCC2 ZINC001110967126 1206468218 /nfs/dbraw/zinc/46/82/18/1206468218.db2.gz SYLXJQYWSOADGA-NXHRZFHOSA-N 1 2 328.460 2.407 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc2n(n1)CCC2 ZINC001110967126 1206468219 /nfs/dbraw/zinc/46/82/19/1206468219.db2.gz SYLXJQYWSOADGA-NXHRZFHOSA-N 1 2 328.460 2.407 20 30 EEEDLO COc1ncc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1C#N ZINC000932513644 1207620733 /nfs/dbraw/zinc/62/07/33/1207620733.db2.gz NPDVTMZTVAXRGE-IUODEOHRSA-N 1 2 340.387 2.273 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001111072598 1207942237 /nfs/dbraw/zinc/94/22/37/1207942237.db2.gz OCOXBCVIDSOWQS-DZUCGIPZSA-N 1 2 347.503 2.225 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001111072598 1207942241 /nfs/dbraw/zinc/94/22/41/1207942241.db2.gz OCOXBCVIDSOWQS-DZUCGIPZSA-N 1 2 347.503 2.225 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000934445310 1207965267 /nfs/dbraw/zinc/96/52/67/1207965267.db2.gz NCGCPSUTGQTYOK-HUUCEWRRSA-N 1 2 339.480 2.256 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000934445310 1207965269 /nfs/dbraw/zinc/96/52/69/1207965269.db2.gz NCGCPSUTGQTYOK-HUUCEWRRSA-N 1 2 339.480 2.256 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc3[nH]c(C)nc31)C2 ZINC001095796340 1208525768 /nfs/dbraw/zinc/52/57/68/1208525768.db2.gz LIPUMCFIBMRJJS-XBFCOCLRSA-N 1 2 345.834 2.354 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc3[nH]c(C)nc31)C2 ZINC001095796340 1208525770 /nfs/dbraw/zinc/52/57/70/1208525770.db2.gz LIPUMCFIBMRJJS-XBFCOCLRSA-N 1 2 345.834 2.354 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2ncccn2)[C@@H](C)C1 ZINC000947974605 1208799294 /nfs/dbraw/zinc/79/92/94/1208799294.db2.gz CFRJUXQPBXXLPN-LPHOPBHVSA-N 1 2 348.450 2.170 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2ncccn2)[C@@H](C)C1 ZINC000947974605 1208799296 /nfs/dbraw/zinc/79/92/96/1208799296.db2.gz CFRJUXQPBXXLPN-LPHOPBHVSA-N 1 2 348.450 2.170 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2n[nH]cc2C(F)(F)F)CC1 ZINC000948431938 1209134656 /nfs/dbraw/zinc/13/46/56/1209134656.db2.gz DABMEEZAPYOYKL-GFCCVEGCSA-N 1 2 342.365 2.378 20 30 EEEDLO CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)c2n[nH]cc2C(F)(F)F)CC1 ZINC000948431938 1209134659 /nfs/dbraw/zinc/13/46/59/1209134659.db2.gz DABMEEZAPYOYKL-GFCCVEGCSA-N 1 2 342.365 2.378 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000948916084 1209450375 /nfs/dbraw/zinc/45/03/75/1209450375.db2.gz MNBKTJCSZKEVEQ-PXNSSMCTSA-N 1 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QINAKKDYLCOLIU-CRAIPNDOSA-N 1 2 327.428 2.065 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)co1 ZINC001007189422 1222125747 /nfs/dbraw/zinc/12/57/47/1222125747.db2.gz PSRHDXQTXYVTNW-QGZVFWFLSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)co1 ZINC001007189422 1222125748 /nfs/dbraw/zinc/12/57/48/1222125748.db2.gz PSRHDXQTXYVTNW-QGZVFWFLSA-N 1 2 341.386 2.368 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001016113085 1226095793 /nfs/dbraw/zinc/09/57/93/1226095793.db2.gz HOKKYJIUPMFWCG-QAPCUYQASA-N 1 2 337.423 2.459 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001016113085 1226095802 /nfs/dbraw/zinc/09/58/02/1226095802.db2.gz HOKKYJIUPMFWCG-QAPCUYQASA-N 1 2 337.423 2.459 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)c3cc[nH]c3)C2)c1 ZINC001007395809 1222205346 /nfs/dbraw/zinc/20/53/46/1222205346.db2.gz HIRNVCNCBHMKKE-INIZCTEOSA-N 1 2 326.375 2.420 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)c3cc[nH]c3)C2)c1 ZINC001007395809 1222205349 /nfs/dbraw/zinc/20/53/49/1222205349.db2.gz HIRNVCNCBHMKKE-INIZCTEOSA-N 1 2 326.375 2.420 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001008813466 1223048415 /nfs/dbraw/zinc/04/84/15/1223048415.db2.gz FZDVGGYQEFZHOQ-KRWDZBQOSA-N 1 2 340.402 2.103 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001008813466 1223048417 /nfs/dbraw/zinc/04/84/17/1223048417.db2.gz FZDVGGYQEFZHOQ-KRWDZBQOSA-N 1 2 340.402 2.103 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001009354314 1223219305 /nfs/dbraw/zinc/21/93/05/1223219305.db2.gz RLXVMNQVCSPPOM-HXUWFJFHSA-N 1 2 348.450 2.090 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@H+](Cc2cnc(C)nc2)C1 ZINC001009354314 1223219307 /nfs/dbraw/zinc/21/93/07/1223219307.db2.gz RLXVMNQVCSPPOM-HXUWFJFHSA-N 1 2 348.450 2.090 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)c2ccoc2C)C1 ZINC001010122587 1223562143 /nfs/dbraw/zinc/56/21/43/1223562143.db2.gz CMHDOCNUOWYCMC-INIZCTEOSA-N 1 2 339.395 2.473 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)c2ccoc2C)C1 ZINC001010122587 1223562146 /nfs/dbraw/zinc/56/21/46/1223562146.db2.gz CMHDOCNUOWYCMC-INIZCTEOSA-N 1 2 339.395 2.473 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)c2occc2C)C1 ZINC001010193504 1223597424 /nfs/dbraw/zinc/59/74/24/1223597424.db2.gz HZUWRSUWCFHQLX-INIZCTEOSA-N 1 2 339.395 2.473 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)c2occc2C)C1 ZINC001010193504 1223597426 /nfs/dbraw/zinc/59/74/26/1223597426.db2.gz HZUWRSUWCFHQLX-INIZCTEOSA-N 1 2 339.395 2.473 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001010327508 1223664028 /nfs/dbraw/zinc/66/40/28/1223664028.db2.gz MDQXATAYTXAQSQ-LSDHHAIUSA-N 1 2 344.459 2.052 20 30 EEEDLO Cc1nscc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001010685202 1223850364 /nfs/dbraw/zinc/85/03/64/1223850364.db2.gz YKNTYLDUNFAWIE-LLVKDONJSA-N 1 2 332.454 2.389 20 30 EEEDLO Cc1nscc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001010685202 1223850365 /nfs/dbraw/zinc/85/03/65/1223850365.db2.gz YKNTYLDUNFAWIE-LLVKDONJSA-N 1 2 332.454 2.389 20 30 EEEDLO Cc1c[nH]cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001016242141 1226244067 /nfs/dbraw/zinc/24/40/67/1226244067.db2.gz DPQNQAZQMKZCCM-OAHLLOKOSA-N 1 2 326.375 2.338 20 30 EEEDLO Cc1c[nH]cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001016242141 1226244069 /nfs/dbraw/zinc/24/40/69/1226244069.db2.gz DPQNQAZQMKZCCM-OAHLLOKOSA-N 1 2 326.375 2.338 20 30 EEEDLO CCCc1nnc(C[N@H+](C)C[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)s1 ZINC001017070667 1227091343 /nfs/dbraw/zinc/09/13/43/1227091343.db2.gz IHOWYLFTVZCAFS-ZIAGYGMSSA-N 1 2 349.504 2.321 20 30 EEEDLO CCCc1nnc(C[N@@H+](C)C[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)s1 ZINC001017070667 1227091345 /nfs/dbraw/zinc/09/13/45/1227091345.db2.gz IHOWYLFTVZCAFS-ZIAGYGMSSA-N 1 2 349.504 2.321 20 30 EEEDLO CC(C)c1nnc(C[N@H+](C)C[C@H]2CCCN(C(=O)C#CC3CC3)C2)[nH]1 ZINC001017122764 1227143785 /nfs/dbraw/zinc/14/37/85/1227143785.db2.gz AHZDQLYKLDPBTK-MRXNPFEDSA-N 1 2 343.475 2.012 20 30 EEEDLO CC(C)c1nnc(C[N@@H+](C)C[C@H]2CCCN(C(=O)C#CC3CC3)C2)[nH]1 ZINC001017122764 1227143787 /nfs/dbraw/zinc/14/37/87/1227143787.db2.gz AHZDQLYKLDPBTK-MRXNPFEDSA-N 1 2 343.475 2.012 20 30 EEEDLO Cc1nn(C(C)C)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017541681 1227504942 /nfs/dbraw/zinc/50/49/42/1227504942.db2.gz DVBUIQZLNYFMDA-KDURUIRLSA-N 1 2 340.471 2.361 20 30 EEEDLO Cc1nn(C(C)C)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017541681 1227504944 /nfs/dbraw/zinc/50/49/44/1227504944.db2.gz DVBUIQZLNYFMDA-KDURUIRLSA-N 1 2 340.471 2.361 20 30 EEEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc([C@H](C)OC)s1 ZINC001017554986 1227516466 /nfs/dbraw/zinc/51/64/66/1227516466.db2.gz HQJXVHHWDHVQSR-MELADBBJSA-N 1 2 333.457 2.163 20 30 EEEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc([C@H](C)OC)s1 ZINC001017554986 1227516470 /nfs/dbraw/zinc/51/64/70/1227516470.db2.gz HQJXVHHWDHVQSR-MELADBBJSA-N 1 2 333.457 2.163 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC(C)C)nc1 ZINC001017600789 1227562712 /nfs/dbraw/zinc/56/27/12/1227562712.db2.gz SKQRTTZUGJVNLJ-CALCHBBNSA-N 1 2 327.428 2.181 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC(C)C)nc1 ZINC001017600789 1227562716 /nfs/dbraw/zinc/56/27/16/1227562716.db2.gz SKQRTTZUGJVNLJ-CALCHBBNSA-N 1 2 327.428 2.181 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC001017623363 1227579812 /nfs/dbraw/zinc/57/98/12/1227579812.db2.gz UXTKGFURKLEHRQ-ZIFCJYIRSA-N 1 2 338.451 2.424 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC001017623363 1227579817 /nfs/dbraw/zinc/57/98/17/1227579817.db2.gz UXTKGFURKLEHRQ-ZIFCJYIRSA-N 1 2 338.451 2.424 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COC[C@@H]1c1ccccc1 ZINC001017676823 1227627553 /nfs/dbraw/zinc/62/75/53/1227627553.db2.gz OFTWJFVRKUTHRK-IYWMVGAKSA-N 1 2 338.451 2.115 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COC[C@@H]1c1ccccc1 ZINC001017676823 1227627558 /nfs/dbraw/zinc/62/75/58/1227627558.db2.gz OFTWJFVRKUTHRK-IYWMVGAKSA-N 1 2 338.451 2.115 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)c1cccc(OC)c1 ZINC001017773585 1227716893 /nfs/dbraw/zinc/71/68/93/1227716893.db2.gz SEUFNAJGIQSZKU-ZIFCJYIRSA-N 1 2 342.439 2.081 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)c1cccc(OC)c1 ZINC001017773585 1227716897 /nfs/dbraw/zinc/71/68/97/1227716897.db2.gz SEUFNAJGIQSZKU-ZIFCJYIRSA-N 1 2 342.439 2.081 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc3cc[nH]c3n2)cc1 ZINC001038379861 1229779533 /nfs/dbraw/zinc/77/95/33/1229779533.db2.gz YJCYAAUYDOKYII-KRWDZBQOSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc3cc[nH]c3n2)cc1 ZINC001038379861 1229779537 /nfs/dbraw/zinc/77/95/37/1229779537.db2.gz YJCYAAUYDOKYII-KRWDZBQOSA-N 1 2 345.406 2.439 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@]12CCC[C@H]1OCC2 ZINC001038507482 1229879217 /nfs/dbraw/zinc/87/92/17/1229879217.db2.gz HBZBGFMXJKORRG-SBHAEUEKSA-N 1 2 338.451 2.188 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@]12CCC[C@H]1OCC2 ZINC001038507482 1229879220 /nfs/dbraw/zinc/87/92/20/1229879220.db2.gz HBZBGFMXJKORRG-SBHAEUEKSA-N 1 2 338.451 2.188 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ocnc2C2CC2)c1 ZINC001038704871 1229987214 /nfs/dbraw/zinc/98/72/14/1229987214.db2.gz GMHYEEJARCCJJP-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ocnc2C2CC2)c1 ZINC001038704871 1229987217 /nfs/dbraw/zinc/98/72/17/1229987217.db2.gz GMHYEEJARCCJJP-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c(C)n1 ZINC001038754591 1230024805 /nfs/dbraw/zinc/02/48/05/1230024805.db2.gz TVLOREAWHHZFLE-KRWDZBQOSA-N 1 2 337.427 2.087 20 30 EEEDLO CCn1cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)c(C)n1 ZINC001038754591 1230024808 /nfs/dbraw/zinc/02/48/08/1230024808.db2.gz TVLOREAWHHZFLE-KRWDZBQOSA-N 1 2 337.427 2.087 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](Nc2cccc(F)c2C#N)[C@@H]1C ZINC001040156791 1231063436 /nfs/dbraw/zinc/06/34/36/1231063436.db2.gz FCQFALPIYNXZLB-WFASDCNBSA-N 1 2 341.390 2.373 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nonc3C)[C@@H]2C1 ZINC001042183395 1231942279 /nfs/dbraw/zinc/94/22/79/1231942279.db2.gz JTRPMXXEZYRIOS-GDBMZVCRSA-N 1 2 332.448 2.403 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nonc3C)[C@@H]2C1 ZINC001042183395 1231942281 /nfs/dbraw/zinc/94/22/81/1231942281.db2.gz JTRPMXXEZYRIOS-GDBMZVCRSA-N 1 2 332.448 2.403 20 30 EEEDLO CN(C(=O)C1CC(F)(F)C1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001042594057 1232115277 /nfs/dbraw/zinc/11/52/77/1232115277.db2.gz PPIDMJQURZBFKL-UHFFFAOYSA-N 1 2 349.381 2.277 20 30 EEEDLO C=C(Cl)CN1CC(N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001042737286 1232152525 /nfs/dbraw/zinc/15/25/25/1232152525.db2.gz ATHLYKNBIJKQEE-CZUORRHYSA-N 1 2 348.878 2.049 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](Cc3ccc(OC)c(C)c3)C2)c1 ZINC001043820595 1232591504 /nfs/dbraw/zinc/59/15/04/1232591504.db2.gz SLRVQMLUJCTMLR-UHFFFAOYSA-N 1 2 349.434 2.336 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001045185687 1233565292 /nfs/dbraw/zinc/56/52/92/1233565292.db2.gz ISLGCXQUBXFULM-KSSFIOAISA-N 1 2 348.495 2.111 20 30 EEEDLO C[C@@H](c1ncccn1)[NH+]1CCC(C)(NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001045411381 1233728914 /nfs/dbraw/zinc/72/89/14/1233728914.db2.gz CMBFOGKWHCZXGH-ZDUSSCGKSA-N 1 2 338.415 2.022 20 30 EEEDLO C=CCn1cccc1C(=O)NC1(C)CC[NH+](Cc2ncccn2)CC1 ZINC001045461368 1233758361 /nfs/dbraw/zinc/75/83/61/1233758361.db2.gz WHTLGXNPMZJQME-UHFFFAOYSA-N 1 2 339.443 2.249 20 30 EEEDLO N#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001045966369 1234245784 /nfs/dbraw/zinc/24/57/84/1234245784.db2.gz UYCNZIUYROLDRU-DNVCBOLYSA-N 1 2 341.459 2.058 20 30 EEEDLO C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cc(C(F)F)[nH]n1)C2 ZINC001045966649 1234246761 /nfs/dbraw/zinc/24/67/61/1234246761.db2.gz ZVUBKFCMFWNPKG-KRWDZBQOSA-N 1 2 336.386 2.299 20 30 EEEDLO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cc(C(F)F)[nH]n1)C2 ZINC001045966649 1234246763 /nfs/dbraw/zinc/24/67/63/1234246763.db2.gz ZVUBKFCMFWNPKG-KRWDZBQOSA-N 1 2 336.386 2.299 20 30 EEEDLO Cc1cc(C(=O)N[C@]2(C)CC[N@H+](CC#Cc3ccc(F)cc3)C2)no1 ZINC001046123252 1234467024 /nfs/dbraw/zinc/46/70/24/1234467024.db2.gz NWGZGHZJRXIDJX-LJQANCHMSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1cc(C(=O)N[C@]2(C)CC[N@@H+](CC#Cc3ccc(F)cc3)C2)no1 ZINC001046123252 1234467025 /nfs/dbraw/zinc/46/70/25/1234467025.db2.gz NWGZGHZJRXIDJX-LJQANCHMSA-N 1 2 341.386 2.368 20 30 EEEDLO C[C@]1(NC(=O)[C@@H]2CCOC2)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046176519 1234517508 /nfs/dbraw/zinc/51/75/08/1234517508.db2.gz FNBRXNWNLUZRNH-APWZRJJASA-N 1 2 346.858 2.309 20 30 EEEDLO C[C@]1(NC(=O)[C@@H]2CCOC2)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046176519 1234517511 /nfs/dbraw/zinc/51/75/11/1234517511.db2.gz FNBRXNWNLUZRNH-APWZRJJASA-N 1 2 346.858 2.309 20 30 EEEDLO C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@H+](CC=C(Cl)Cl)C1 ZINC001046248564 1234592822 /nfs/dbraw/zinc/59/28/22/1234592822.db2.gz PORGIUYRAVZELO-CQSZACIVSA-N 1 2 327.215 2.400 20 30 EEEDLO C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001046248564 1234592825 /nfs/dbraw/zinc/59/28/25/1234592825.db2.gz PORGIUYRAVZELO-CQSZACIVSA-N 1 2 327.215 2.400 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(Br)n[nH]2)C1 ZINC001046356492 1234701817 /nfs/dbraw/zinc/70/18/17/1234701817.db2.gz VNHAGSAFMLBGLO-GFCCVEGCSA-N 1 2 347.644 2.119 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(Br)n[nH]2)C1 ZINC001046356492 1234701821 /nfs/dbraw/zinc/70/18/21/1234701821.db2.gz VNHAGSAFMLBGLO-GFCCVEGCSA-N 1 2 347.644 2.119 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cccc3c2OCCO3)C1 ZINC001046364014 1234711121 /nfs/dbraw/zinc/71/11/21/1234711121.db2.gz HLIQWKLGFBKFTP-KRWDZBQOSA-N 1 2 336.819 2.405 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc3c2OCCO3)C1 ZINC001046364014 1234711126 /nfs/dbraw/zinc/71/11/26/1234711126.db2.gz HLIQWKLGFBKFTP-KRWDZBQOSA-N 1 2 336.819 2.405 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC001046484961 1234858117 /nfs/dbraw/zinc/85/81/17/1234858117.db2.gz OTRAJZBPHURLGY-INIZCTEOSA-N 1 2 335.791 2.480 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC001046484961 1234858120 /nfs/dbraw/zinc/85/81/20/1234858120.db2.gz OTRAJZBPHURLGY-INIZCTEOSA-N 1 2 335.791 2.480 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001046632098 1235015150 /nfs/dbraw/zinc/01/51/50/1235015150.db2.gz RIHVEEIXVGSQJW-KEYYUXOJSA-N 1 2 335.473 2.123 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2ncc(C)s2)C1 ZINC001046632098 1235015154 /nfs/dbraw/zinc/01/51/54/1235015154.db2.gz RIHVEEIXVGSQJW-KEYYUXOJSA-N 1 2 335.473 2.123 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2nn(C)c3c2CCCC3)C1 ZINC001046640702 1235023246 /nfs/dbraw/zinc/02/32/46/1235023246.db2.gz KIAPETFWAJIQHR-QGZVFWFLSA-N 1 2 336.867 2.246 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2nn(C)c3c2CCCC3)C1 ZINC001046640702 1235023248 /nfs/dbraw/zinc/02/32/48/1235023248.db2.gz KIAPETFWAJIQHR-QGZVFWFLSA-N 1 2 336.867 2.246 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046738661 1235131366 /nfs/dbraw/zinc/13/13/66/1235131366.db2.gz AGDOHZSMSXXWIZ-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046738661 1235131368 /nfs/dbraw/zinc/13/13/68/1235131368.db2.gz AGDOHZSMSXXWIZ-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnn(C)c2C)C1 ZINC001046916352 1235303610 /nfs/dbraw/zinc/30/36/10/1235303610.db2.gz HIGXMVLZXMDKOK-GFCCVEGCSA-N 1 2 346.809 2.168 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnn(C)c2C)C1 ZINC001046916352 1235303613 /nfs/dbraw/zinc/30/36/13/1235303613.db2.gz HIGXMVLZXMDKOK-GFCCVEGCSA-N 1 2 346.809 2.168 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c(C)ncn2C)C1 ZINC001046951031 1235346754 /nfs/dbraw/zinc/34/67/54/1235346754.db2.gz KISNLLIBYYCCBJ-LBPRGKRZSA-N 1 2 346.809 2.168 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c(C)ncn2C)C1 ZINC001046951031 1235346759 /nfs/dbraw/zinc/34/67/59/1235346759.db2.gz KISNLLIBYYCCBJ-LBPRGKRZSA-N 1 2 346.809 2.168 20 30 EEEDLO Cc1nc(N2CCC[C@H](NC(=O)C#CC(C)C)C2)c2c([nH+]1)CCCC2 ZINC001096177022 1235817936 /nfs/dbraw/zinc/81/79/36/1235817936.db2.gz KZHWUKJZODEDOC-INIZCTEOSA-N 1 2 340.471 2.408 20 30 EEEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3ccccc3)o2)C1 ZINC001047538503 1236166256 /nfs/dbraw/zinc/16/62/56/1236166256.db2.gz LYTRNKWVBWBMLL-IRXDYDNUSA-N 1 2 338.407 2.087 20 30 EEEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3ccccc3)o2)C1 ZINC001047538503 1236166260 /nfs/dbraw/zinc/16/62/60/1236166260.db2.gz LYTRNKWVBWBMLL-IRXDYDNUSA-N 1 2 338.407 2.087 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@H]1CCCN(c2cc[nH+]c(C)n2)C1)OCC ZINC001096208321 1236170255 /nfs/dbraw/zinc/17/02/55/1236170255.db2.gz JYZXQHXEBBHUML-JKSUJKDBSA-N 1 2 332.448 2.241 20 30 EEEDLO CCC[C@H](CC)C(=O)NCC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC001096289841 1237164444 /nfs/dbraw/zinc/16/44/44/1237164444.db2.gz QSCUYQKOMLZZEP-INIZCTEOSA-N 1 2 343.475 2.018 20 30 EEEDLO C=C1CCC(C(=O)NCC[NH+]2CCN(c3cccc(F)n3)CC2)CC1 ZINC001096298291 1237199224 /nfs/dbraw/zinc/19/92/24/1237199224.db2.gz ZDXWPTSHOLFATQ-UHFFFAOYSA-N 1 2 346.450 2.205 20 30 EEEDLO NC(=[NH+]OCCOC1CC1)c1ccc(OCc2cccnc2)cc1 ZINC000902227626 1237249453 /nfs/dbraw/zinc/24/94/53/1237249453.db2.gz UAOQAOWUJAPMGT-UHFFFAOYSA-N 1 2 327.384 2.477 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1Cc3cccnc3C1)C2 ZINC001096431785 1239030655 /nfs/dbraw/zinc/03/06/55/1239030655.db2.gz LGXYETAMNGNLGK-JHNDHUHGSA-N 1 2 331.847 2.270 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1Cc3cccnc3C1)C2 ZINC001096431785 1239030666 /nfs/dbraw/zinc/03/06/66/1239030666.db2.gz LGXYETAMNGNLGK-JHNDHUHGSA-N 1 2 331.847 2.270 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056516530 1239425645 /nfs/dbraw/zinc/42/56/45/1239425645.db2.gz UMCDKUZMGYDODP-JYJNAYRXSA-N 1 2 344.459 2.146 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001056725277 1239732683 /nfs/dbraw/zinc/73/26/83/1239732683.db2.gz KKGSHVXLHQIBRA-HLLBOEOZSA-N 1 2 344.459 2.004 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000803345602 1240170762 /nfs/dbraw/zinc/17/07/62/1240170762.db2.gz DQIQQDJMKSYMGK-OAHLLOKOSA-N 1 2 340.427 2.350 20 30 EEEDLO CN(c1ncccc1C#N)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001057068291 1241577844 /nfs/dbraw/zinc/57/78/44/1241577844.db2.gz VGLAONXEHPCDSS-HNNXBMFYSA-N 1 2 346.394 2.180 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cn(CC)nn1 ZINC001049699856 1241915949 /nfs/dbraw/zinc/91/59/49/1241915949.db2.gz NPPDJBWEUKWPHI-JENIJYKNSA-N 1 2 345.491 2.466 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cn(CC)nn1 ZINC001049699856 1241915957 /nfs/dbraw/zinc/91/59/57/1241915957.db2.gz NPPDJBWEUKWPHI-JENIJYKNSA-N 1 2 345.491 2.466 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cc(OC)cs2)C1 ZINC001073724444 1242691875 /nfs/dbraw/zinc/69/18/75/1242691875.db2.gz WCAXOQKDEGGTDL-CYBMUJFWSA-N 1 2 344.864 2.330 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cc(OC)cs2)C1 ZINC001073724444 1242691890 /nfs/dbraw/zinc/69/18/90/1242691890.db2.gz WCAXOQKDEGGTDL-CYBMUJFWSA-N 1 2 344.864 2.330 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(COC)on3)[C@@H]2C1 ZINC001050157797 1243003434 /nfs/dbraw/zinc/00/34/34/1243003434.db2.gz ARDZLEUAUUAKJO-SWLSCSKDSA-N 1 2 339.823 2.110 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(COC)on3)[C@@H]2C1 ZINC001050157797 1243003438 /nfs/dbraw/zinc/00/34/38/1243003438.db2.gz ARDZLEUAUUAKJO-SWLSCSKDSA-N 1 2 339.823 2.110 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001096807675 1243308746 /nfs/dbraw/zinc/30/87/46/1243308746.db2.gz SKMRIIYMQAPHMM-RDTXWAMCSA-N 1 2 346.479 2.155 20 30 EEEDLO N#Cc1cccnc1N[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001096851716 1243371153 /nfs/dbraw/zinc/37/11/53/1243371153.db2.gz MUUQKRJECYWDOE-KRWDZBQOSA-N 1 2 346.394 2.450 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001097236414 1243863821 /nfs/dbraw/zinc/86/38/21/1243863821.db2.gz VJBDCTPYRTWRHS-BETUJISGSA-N 1 2 327.363 2.043 20 30 EEEDLO Cc1cc(N[C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)nc(C(C)C)[nH+]1 ZINC001097777696 1244576035 /nfs/dbraw/zinc/57/60/35/1244576035.db2.gz LQKMDFVBSGOPOH-LBPRGKRZSA-N 1 2 326.404 2.339 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001050919557 1244626604 /nfs/dbraw/zinc/62/66/04/1244626604.db2.gz NPRJMPZJOVKZKY-AWEZNQCLSA-N 1 2 335.448 2.369 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001050919557 1244626617 /nfs/dbraw/zinc/62/66/17/1244626617.db2.gz NPRJMPZJOVKZKY-AWEZNQCLSA-N 1 2 335.448 2.369 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3nncn3C)CC2)CC1 ZINC001052682140 1244740597 /nfs/dbraw/zinc/74/05/97/1244740597.db2.gz PQRWOGGYNWDIPP-MRXNPFEDSA-N 1 2 331.464 2.032 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3nncn3C)CC2)CC1 ZINC001052682140 1244740601 /nfs/dbraw/zinc/74/06/01/1244740601.db2.gz PQRWOGGYNWDIPP-MRXNPFEDSA-N 1 2 331.464 2.032 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H](C)[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001052691580 1244763930 /nfs/dbraw/zinc/76/39/30/1244763930.db2.gz SMRQUOAZEIRYSA-LSDHHAIUSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050994321 1244810769 /nfs/dbraw/zinc/81/07/69/1244810769.db2.gz RAAYMNIJDGRADN-GJZGRUSLSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050994321 1244810776 /nfs/dbraw/zinc/81/07/76/1244810776.db2.gz RAAYMNIJDGRADN-GJZGRUSLSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC001051046056 1244903564 /nfs/dbraw/zinc/90/35/64/1244903564.db2.gz IBKLNTUDOBNFPG-AEFFLSMTSA-N 1 2 344.455 2.173 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1COc2cc(C)c(C)cc21 ZINC001051046056 1244903572 /nfs/dbraw/zinc/90/35/72/1244903572.db2.gz IBKLNTUDOBNFPG-AEFFLSMTSA-N 1 2 344.455 2.173 20 30 EEEDLO C=CCCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001051061129 1244926641 /nfs/dbraw/zinc/92/66/41/1244926641.db2.gz RDLQLBWODHIYEQ-DLBZAZTESA-N 1 2 346.475 2.373 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ncccc1OCCC ZINC001051099259 1244979235 /nfs/dbraw/zinc/97/92/35/1244979235.db2.gz URNFQILNQCKRSE-INIZCTEOSA-N 1 2 347.459 2.267 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ncccc1OCCC ZINC001051099259 1244979239 /nfs/dbraw/zinc/97/92/39/1244979239.db2.gz URNFQILNQCKRSE-INIZCTEOSA-N 1 2 347.459 2.267 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(OC)c1OC ZINC001051223359 1245410801 /nfs/dbraw/zinc/41/08/01/1245410801.db2.gz MSXLPWKSUTVZEW-OAHLLOKOSA-N 1 2 348.443 2.101 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(OC)c1OC ZINC001051223359 1245410804 /nfs/dbraw/zinc/41/08/04/1245410804.db2.gz MSXLPWKSUTVZEW-OAHLLOKOSA-N 1 2 348.443 2.101 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1c(OC)cccc1OC ZINC001051226931 1245414687 /nfs/dbraw/zinc/41/46/87/1245414687.db2.gz UUHGNCMIFHABLP-OAHLLOKOSA-N 1 2 348.443 2.101 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(OC)cccc1OC ZINC001051226931 1245414691 /nfs/dbraw/zinc/41/46/91/1245414691.db2.gz UUHGNCMIFHABLP-OAHLLOKOSA-N 1 2 348.443 2.101 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001051289685 1245484006 /nfs/dbraw/zinc/48/40/06/1245484006.db2.gz VUDSGYZNEXBYNK-JKSUJKDBSA-N 1 2 346.475 2.229 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@@]2(C)C1 ZINC001101218479 1245532022 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C=CCCC1(C(=O)N(C)C[C@@H](C)Nc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001120562327 1309612675 /nfs/dbraw/zinc/61/26/75/1309612675.db2.gz SFOSJNXCWQSKMO-CYBMUJFWSA-N 1 2 346.479 2.251 20 30 EEEDLO C=C1CCC(C(=O)N(C)C[C@H](C)Nc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001120562503 1309612892 /nfs/dbraw/zinc/61/28/92/1309612892.db2.gz WNEPBQIGNZMBNS-ZDUSSCGKSA-N 1 2 346.479 2.251 20 30 EEEDLO Cc1nc(C#N)cnc1-c1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001244134440 1309912853 /nfs/dbraw/zinc/91/28/53/1309912853.db2.gz AGOVIALISSUNKD-UHFFFAOYSA-N 1 2 342.374 2.174 20 30 EEEDLO N#Cc1cnccc1-c1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001244138464 1309914688 /nfs/dbraw/zinc/91/46/88/1309914688.db2.gz YTQDGKIOZAUFMX-UHFFFAOYSA-N 1 2 327.359 2.470 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001121595701 1310063296 /nfs/dbraw/zinc/06/32/96/1310063296.db2.gz VWBNGDUCETTXPD-JYJNAYRXSA-N 1 2 331.464 2.092 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001121595701 1310063301 /nfs/dbraw/zinc/06/33/01/1310063301.db2.gz VWBNGDUCETTXPD-JYJNAYRXSA-N 1 2 331.464 2.092 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001121620709 1310074540 /nfs/dbraw/zinc/07/45/40/1310074540.db2.gz RMKCSMAYOZSCMA-BETUJISGSA-N 1 2 332.477 2.119 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H](NC2=C(c3ccccc3)C(=O)c3ccccc32)C[NH2+]1 ZINC001246228397 1310262517 /nfs/dbraw/zinc/26/25/17/1310262517.db2.gz IFZPTLNTVYVVDJ-PBHICJAKSA-N 1 2 348.402 2.244 20 30 EEEDLO CCc1cc(N2CC[C@]3(NC(=O)[C@@H](C)C#N)CCC[C@H]23)nc(C)[nH+]1 ZINC001123375528 1310539934 /nfs/dbraw/zinc/53/99/34/1310539934.db2.gz IGWKYYRVFYGMBU-XLWVJDPXSA-N 1 2 327.432 2.125 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1nnc(CC(C)C)o1 ZINC001124496253 1310909906 /nfs/dbraw/zinc/90/99/06/1310909906.db2.gz ZJHJFQUIPVDSGO-KGLIPLIRSA-N 1 2 338.452 2.016 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001125224454 1314443575 /nfs/dbraw/zinc/44/35/75/1314443575.db2.gz 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1316033282 /nfs/dbraw/zinc/03/32/82/1316033282.db2.gz FEFYRUBRUXYJLZ-RYUDHWBXSA-N 1 2 326.334 2.060 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[N@H+](Cc2ccns2)CCCO1 ZINC001150371775 1316245725 /nfs/dbraw/zinc/24/57/25/1316245725.db2.gz LGIABVXSHIBIMF-AWEZNQCLSA-N 1 2 337.489 2.453 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccns2)CCCO1 ZINC001150371775 1316245729 /nfs/dbraw/zinc/24/57/29/1316245729.db2.gz LGIABVXSHIBIMF-AWEZNQCLSA-N 1 2 337.489 2.453 20 30 EEEDLO C=CCOCC(=O)NC[C@@H](C)[N@H+](CC)Cc1c(F)cccc1F ZINC001152370873 1316663430 /nfs/dbraw/zinc/66/34/30/1316663430.db2.gz RLHUGHMFJVDSCG-CYBMUJFWSA-N 1 2 326.387 2.494 20 30 EEEDLO C=CCOCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1c(F)cccc1F ZINC001152370873 1316663433 /nfs/dbraw/zinc/66/34/33/1316663433.db2.gz RLHUGHMFJVDSCG-CYBMUJFWSA-N 1 2 326.387 2.494 20 30 EEEDLO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nccs2)CCOCC1 ZINC001153779643 1316880628 /nfs/dbraw/zinc/88/06/28/1316880628.db2.gz DJAYRBIVQJKTLA-OAHLLOKOSA-N 1 2 349.500 2.290 20 30 EEEDLO C#CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nccs2)CCOCC1 ZINC001153779643 1316880631 /nfs/dbraw/zinc/88/06/31/1316880631.db2.gz DJAYRBIVQJKTLA-OAHLLOKOSA-N 1 2 349.500 2.290 20 30 EEEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nnc(OCC)s2)CCCC1 ZINC001153809289 1316889124 /nfs/dbraw/zinc/88/91/24/1316889124.db2.gz IKKLLOATRNJQRN-UHFFFAOYSA-N 1 2 338.477 2.279 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)CC(=O)Nc1ccon1 ZINC001154751407 1317295917 /nfs/dbraw/zinc/29/59/17/1317295917.db2.gz VTRCUOAOJNDEQQ-UONOGXRCSA-N 1 2 336.436 2.042 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccon1 ZINC001154751407 1317295925 /nfs/dbraw/zinc/29/59/25/1317295925.db2.gz VTRCUOAOJNDEQQ-UONOGXRCSA-N 1 2 336.436 2.042 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1OCC[C@H]1C ZINC001155313682 1317547330 /nfs/dbraw/zinc/54/73/30/1317547330.db2.gz CRIJTCGDZBHMFW-RTXFEEFZSA-N 1 2 333.270 2.147 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1OCC[C@H]1C ZINC001155313682 1317547336 /nfs/dbraw/zinc/54/73/36/1317547336.db2.gz CRIJTCGDZBHMFW-RTXFEEFZSA-N 1 2 333.270 2.147 20 30 EEEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@@H](O)COCc1ccccc1 ZINC001252297803 1317577177 /nfs/dbraw/zinc/57/71/77/1317577177.db2.gz GQRREVYOCWTQFY-MSOLQXFVSA-N 1 2 335.444 2.298 20 30 EEEDLO N#CCc1cc[nH+]c(N2CCC(n3nnc4ccccc4c3=O)CC2)c1 ZINC001155678023 1317699380 /nfs/dbraw/zinc/69/93/80/1317699380.db2.gz VESGKDQJMKRVDZ-UHFFFAOYSA-N 1 2 346.394 2.094 20 30 EEEDLO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2cn(C)nn2)CCCCC1 ZINC001157236037 1318508909 /nfs/dbraw/zinc/50/89/09/1318508909.db2.gz IYHJGIOYFGXOFX-MRXNPFEDSA-N 1 2 345.491 2.116 20 30 EEEDLO C#CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2cn(C)nn2)CCCCC1 ZINC001157236037 1318508915 /nfs/dbraw/zinc/50/89/15/1318508915.db2.gz IYHJGIOYFGXOFX-MRXNPFEDSA-N 1 2 345.491 2.116 20 30 EEEDLO C[C@@H](c1ncccn1)[N@@H+](C)C[C@H]1CCCCN1C(=O)CSCC#N ZINC001157573901 1318723232 /nfs/dbraw/zinc/72/32/32/1318723232.db2.gz TVENVVBKODBPIR-LSDHHAIUSA-N 1 2 347.488 2.107 20 30 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1400729624 /nfs/dbraw/zinc/72/96/24/1400729624.db2.gz IYFLMZCFNQLVMD-GFCCVEGCSA-N 1 2 347.488 2.293 20 30 EEEDLO N#Cc1ccc(-n2ccc(NC(=O)C[C@@H]([NH3+])C(F)F)n2)c(Cl)c1 ZINC001580064114 1403818464 /nfs/dbraw/zinc/81/84/64/1403818464.db2.gz GUKXUCLZCDPUSH-SNVBAGLBSA-N 1 2 339.733 2.318 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCCC[N@@H+]1Cc1nncn1C ZINC001755368748 1407371524 /nfs/dbraw/zinc/37/15/24/1407371524.db2.gz RHQVGBHNZXZPPQ-JKSUJKDBSA-N 1 2 333.480 2.278 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCCC[N@H+]1Cc1nncn1C ZINC001755368748 1407371530 /nfs/dbraw/zinc/37/15/30/1407371530.db2.gz RHQVGBHNZXZPPQ-JKSUJKDBSA-N 1 2 333.480 2.278 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C/C=C\c3ccc(C)cc3)C2)C1 ZINC001755403592 1407408959 /nfs/dbraw/zinc/40/89/59/1407408959.db2.gz OYIYVUPAXVIOEV-NYPGBQQYSA-N 1 2 338.451 2.335 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C/C=C\c3ccc(C)cc3)C2)C1 ZINC001755403592 1407408961 /nfs/dbraw/zinc/40/89/61/1407408961.db2.gz OYIYVUPAXVIOEV-NYPGBQQYSA-N 1 2 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ZINC001110407109 1410817617 /nfs/dbraw/zinc/81/76/17/1410817617.db2.gz UBRHGTOTGCVSMP-ZACQAIPSSA-N 1 2 339.439 2.395 20 30 EEEDLO CC(C)(C)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001110407109 1410817628 /nfs/dbraw/zinc/81/76/28/1410817628.db2.gz UBRHGTOTGCVSMP-ZACQAIPSSA-N 1 2 339.439 2.395 20 30 EEEDLO Cc1nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)ccc1C#N ZINC001165008570 721708349 /nfs/dbraw/zinc/70/83/49/721708349.db2.gz HKZNTCYHGRPNFL-UHFFFAOYSA-N 1 2 339.447 2.104 20 30 EEEDLO Cc1nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)ccc1C#N ZINC001165008570 721708360 /nfs/dbraw/zinc/70/83/60/721708360.db2.gz HKZNTCYHGRPNFL-UHFFFAOYSA-N 1 2 339.447 2.104 20 30 EEEDLO C=C(Cl)C[NH2+]C1CC(CNC(=O)c2[nH]nc3c2C[C@@H](C)CC3)C1 ZINC001091303062 790267857 /nfs/dbraw/zinc/26/78/57/790267857.db2.gz QBOOGWSGIUKYGT-PKSQDBQZSA-N 1 2 336.867 2.385 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000942373392 782296418 /nfs/dbraw/zinc/29/64/18/782296418.db2.gz APIFCCUMUFASFP-ZIAGYGMSSA-N 1 2 344.459 2.149 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001111988266 761941595 /nfs/dbraw/zinc/94/15/95/761941595.db2.gz ZJZJRFYJNRLMNL-LPHOPBHVSA-N 1 2 346.475 2.204 20 30 EEEDLO C[C@H](CNc1ncc(C#N)cc1F)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001104603963 762034604 /nfs/dbraw/zinc/03/46/04/762034604.db2.gz LFDMYQNFQBOHLW-CYBMUJFWSA-N 1 2 344.394 2.028 20 30 EEEDLO Cc1nsc(NC[C@@H](C)CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1C#N ZINC001104233889 757368542 /nfs/dbraw/zinc/36/85/42/757368542.db2.gz JEYPMZJJSAUBHY-QWRGUYRKSA-N 1 2 346.460 2.089 20 30 EEEDLO Cc1nsc(NC[C@@H](C)CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1C#N ZINC001104233889 757368554 /nfs/dbraw/zinc/36/85/54/757368554.db2.gz JEYPMZJJSAUBHY-QWRGUYRKSA-N 1 2 346.460 2.089 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H](C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001104233824 757369086 /nfs/dbraw/zinc/36/90/86/757369086.db2.gz IGABKXDOQHJDQE-CQSZACIVSA-N 1 2 345.491 2.231 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H](C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001104233824 757369094 /nfs/dbraw/zinc/36/90/94/757369094.db2.gz IGABKXDOQHJDQE-CQSZACIVSA-N 1 2 345.491 2.231 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC001104238834 757412509 /nfs/dbraw/zinc/41/25/09/757412509.db2.gz NXIYAXCLVFLUIL-UKRRQHHQSA-N 1 2 340.431 2.274 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C(C)(C)C)oc3C)[C@H]2C1 ZINC001083206265 758077202 /nfs/dbraw/zinc/07/72/02/758077202.db2.gz QGRVLIUBZVJNDN-JKSUJKDBSA-N 1 2 330.428 2.044 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C(C)(C)C)oc3C)[C@H]2C1 ZINC001083206265 758077213 /nfs/dbraw/zinc/07/72/13/758077213.db2.gz QGRVLIUBZVJNDN-JKSUJKDBSA-N 1 2 330.428 2.044 20 30 EEEDLO N#Cc1ccccc1CNc1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001167637354 760794485 /nfs/dbraw/zinc/79/44/85/760794485.db2.gz UIQDHPZZFWIIAV-UHFFFAOYSA-N 1 2 338.411 2.276 20 30 EEEDLO C=CCCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cscn1)C2 ZINC001112018032 764731779 /nfs/dbraw/zinc/73/17/79/764731779.db2.gz YDRQXUYCXSHVJL-YOEHRIQHSA-N 1 2 335.473 2.207 20 30 EEEDLO C=CCCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cscn1)C2 ZINC001112018032 764731782 /nfs/dbraw/zinc/73/17/82/764731782.db2.gz YDRQXUYCXSHVJL-YOEHRIQHSA-N 1 2 335.473 2.207 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1NC(=O)C#CC(C)C ZINC001212233823 769125937 /nfs/dbraw/zinc/12/59/37/769125937.db2.gz HXNJDJKLUHPVDE-IAGOWNOFSA-N 1 2 334.847 2.315 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1NC(=O)C#CC(C)C ZINC001212233823 769125939 /nfs/dbraw/zinc/12/59/39/769125939.db2.gz HXNJDJKLUHPVDE-IAGOWNOFSA-N 1 2 334.847 2.315 20 30 EEEDLO CC(C)[C@@H](CNC(=O)CCCn1cc[nH+]c1)Nc1ccc(C#N)cn1 ZINC001105195961 769315787 /nfs/dbraw/zinc/31/57/87/769315787.db2.gz VUPYTJJNQAVYHD-MRXNPFEDSA-N 1 2 340.431 2.183 20 30 EEEDLO Cc1ccc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)cn1 ZINC001031548319 769551232 /nfs/dbraw/zinc/55/12/32/769551232.db2.gz FDJYYRZWLBEEDL-UHFFFAOYSA-N 1 2 337.398 2.242 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)CC(C)(C)C)C2)nn1 ZINC001105332825 769765487 /nfs/dbraw/zinc/76/54/87/769765487.db2.gz AUCLTKWRTOBPPT-OAHLLOKOSA-N 1 2 345.491 2.237 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC(n2cc(C[NH2+]C/C=C\Cl)nn2)C1 ZINC001105334552 769775315 /nfs/dbraw/zinc/77/53/15/769775315.db2.gz JKPGFGJJRSSGHQ-ALCCZGGFSA-N 1 2 337.855 2.106 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC(n2cc(C[NH2+]C/C=C/Cl)nn2)C1 ZINC001105334554 769776393 /nfs/dbraw/zinc/77/63/93/769776393.db2.gz JKPGFGJJRSSGHQ-FNORWQNLSA-N 1 2 337.855 2.106 20 30 EEEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)c3cscn3)C2)ccc1F ZINC001031573799 769791820 /nfs/dbraw/zinc/79/18/20/769791820.db2.gz CZJPTLNPLJBCRJ-UHFFFAOYSA-N 1 2 330.388 2.016 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H](n3cc(C[NH2+]C/C=C\Cl)nn3)C2)C1 ZINC001098715764 782821888 /nfs/dbraw/zinc/82/18/88/782821888.db2.gz JNOGXXVIQYJKCF-QTLSWZBMSA-N 1 2 349.866 2.250 20 30 EEEDLO Cn1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cc(F)ccc2C#N)c1 ZINC001027819752 770605338 /nfs/dbraw/zinc/60/53/38/770605338.db2.gz RFPYLOHHWMGZQX-GOSISDBHSA-N 1 2 340.402 2.430 20 30 EEEDLO Cn1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2cc(F)ccc2C#N)c1 ZINC001027819752 770605342 /nfs/dbraw/zinc/60/53/42/770605342.db2.gz RFPYLOHHWMGZQX-GOSISDBHSA-N 1 2 340.402 2.430 20 30 EEEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000920996369 770924033 /nfs/dbraw/zinc/92/40/33/770924033.db2.gz DBAMPQSJXOOKFL-RHSMWYFYSA-N 1 2 330.432 2.029 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC=C(Cl)Cl)[nH]1 ZINC001027831752 770957193 /nfs/dbraw/zinc/95/71/93/770957193.db2.gz UPRHPNQALSRUET-NSHDSACASA-N 1 2 327.215 2.400 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC=C(Cl)Cl)[nH]1 ZINC001027831752 770957200 /nfs/dbraw/zinc/95/72/00/770957200.db2.gz UPRHPNQALSRUET-NSHDSACASA-N 1 2 327.215 2.400 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cncs2)C1 ZINC001032040670 782935948 /nfs/dbraw/zinc/93/59/48/782935948.db2.gz PTDAWMJHLIBZGC-HOTGVXAUSA-N 1 2 335.473 2.062 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1nocc1C ZINC001027888522 774055917 /nfs/dbraw/zinc/05/59/17/774055917.db2.gz RVNMHSIMPJHDDV-INMHGKMJSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1nocc1C ZINC001027888522 774055919 /nfs/dbraw/zinc/05/59/19/774055919.db2.gz RVNMHSIMPJHDDV-INMHGKMJSA-N 1 2 333.432 2.045 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2ncccn2)C1 ZINC000980271108 774225086 /nfs/dbraw/zinc/22/50/86/774225086.db2.gz UCQACWRPXPXQMP-APWZRJJASA-N 1 2 348.450 2.294 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2ncccn2)C1 ZINC000980271108 774225089 /nfs/dbraw/zinc/22/50/89/774225089.db2.gz UCQACWRPXPXQMP-APWZRJJASA-N 1 2 348.450 2.294 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC000980446389 774618787 /nfs/dbraw/zinc/61/87/87/774618787.db2.gz RZMCLGWOONCJOC-GOSISDBHSA-N 1 2 340.402 2.301 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC000980446389 774618789 /nfs/dbraw/zinc/61/87/89/774618789.db2.gz RZMCLGWOONCJOC-GOSISDBHSA-N 1 2 340.402 2.301 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(C)n(C)n1 ZINC001027936242 774656527 /nfs/dbraw/zinc/65/65/27/774656527.db2.gz FOTQRSVKINJXRS-KRWDZBQOSA-N 1 2 341.459 2.110 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(C)n(C)n1 ZINC001027936242 774656531 /nfs/dbraw/zinc/65/65/31/774656531.db2.gz FOTQRSVKINJXRS-KRWDZBQOSA-N 1 2 341.459 2.110 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2scnc2C)cc1 ZINC001038590316 774947915 /nfs/dbraw/zinc/94/79/15/774947915.db2.gz WHSIWDDHBWAVOG-MRXNPFEDSA-N 1 2 325.437 2.437 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2scnc2C)cc1 ZINC001038590316 774947919 /nfs/dbraw/zinc/94/79/19/774947919.db2.gz WHSIWDDHBWAVOG-MRXNPFEDSA-N 1 2 325.437 2.437 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC000938940244 775012912 /nfs/dbraw/zinc/01/29/12/775012912.db2.gz ANZNSJXPNNNYFD-QGZVFWFLSA-N 1 2 344.459 2.079 20 30 EEEDLO CC[C@@H](OC)C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000980812481 775691317 /nfs/dbraw/zinc/69/13/17/775691317.db2.gz GMFKVKKBVAKGPS-QGZVFWFLSA-N 1 2 333.407 2.157 20 30 EEEDLO CC[C@@H](OC)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000980812481 775691320 /nfs/dbraw/zinc/69/13/20/775691320.db2.gz GMFKVKKBVAKGPS-QGZVFWFLSA-N 1 2 333.407 2.157 20 30 EEEDLO CC(C)[C@@H](O)C(=O)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000981093682 776495676 /nfs/dbraw/zinc/49/56/76/776495676.db2.gz FYPABXRLRCGMGQ-GOSISDBHSA-N 1 2 348.874 2.243 20 30 EEEDLO CC(C)[C@@H](O)C(=O)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000981093682 776495678 /nfs/dbraw/zinc/49/56/78/776495678.db2.gz FYPABXRLRCGMGQ-GOSISDBHSA-N 1 2 348.874 2.243 20 30 EEEDLO O=C(c1ncc[nH]1)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000981119913 776538478 /nfs/dbraw/zinc/53/84/78/776538478.db2.gz MUKGCVRRJBAAEO-UHFFFAOYSA-N 1 2 342.830 2.263 20 30 EEEDLO O=C(c1ncc[nH]1)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000981119913 776538486 /nfs/dbraw/zinc/53/84/86/776538486.db2.gz MUKGCVRRJBAAEO-UHFFFAOYSA-N 1 2 342.830 2.263 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2nn(C)c3ccccc23)CC1 ZINC000981173606 776708201 /nfs/dbraw/zinc/70/82/01/776708201.db2.gz KYSYBIJMKFNOIY-UHFFFAOYSA-N 1 2 346.862 2.403 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2nn(C)c3ccccc23)CC1 ZINC000981173606 776708207 /nfs/dbraw/zinc/70/82/07/776708207.db2.gz KYSYBIJMKFNOIY-UHFFFAOYSA-N 1 2 346.862 2.403 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000981659455 777928256 /nfs/dbraw/zinc/92/82/56/777928256.db2.gz AFUSTQFHZMEXJB-MOPGFXCFSA-N 1 2 341.455 2.408 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000981659455 777928264 /nfs/dbraw/zinc/92/82/64/777928264.db2.gz AFUSTQFHZMEXJB-MOPGFXCFSA-N 1 2 341.455 2.408 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)c2nncn2C)CC1 ZINC001028116196 778037803 /nfs/dbraw/zinc/03/78/03/778037803.db2.gz DKYHLBKYYZLOCP-GDBMZVCRSA-N 1 2 331.464 2.203 20 30 EEEDLO 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20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC001035592715 784805607 /nfs/dbraw/zinc/80/56/07/784805607.db2.gz RMQACQFMVNXCBY-CQSZACIVSA-N 1 2 328.334 2.322 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2sc(C(C)(C)C)nc2C)C1 ZINC001035620190 784809928 /nfs/dbraw/zinc/80/99/28/784809928.db2.gz GQUPDEUZCSPKNL-CYBMUJFWSA-N 1 2 337.489 2.366 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2sc(C(C)(C)C)nc2C)C1 ZINC001035620190 784809939 /nfs/dbraw/zinc/80/99/39/784809939.db2.gz GQUPDEUZCSPKNL-CYBMUJFWSA-N 1 2 337.489 2.366 20 30 EEEDLO CC#CC[NH+]1CC2(C1)CCN(C(=O)c1cnc(CC(C)C)[nH]1)CC2 ZINC001035707198 784989601 /nfs/dbraw/zinc/98/96/01/784989601.db2.gz WMPGNUZFKBXMFX-UHFFFAOYSA-N 1 2 328.460 2.170 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1snnc1CC)CC2 ZINC001035744347 785009021 /nfs/dbraw/zinc/00/90/21/785009021.db2.gz HCQCYBMLLXUSNH-UHFFFAOYSA-N 1 2 340.880 2.391 20 30 EEEDLO Cc1cc(NCCS(=O)(=O)c2ccc(C#N)cn2)ccc1[NH+](C)C ZINC000819408053 785533092 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ZINC001109682102 805870760 /nfs/dbraw/zinc/87/07/60/805870760.db2.gz UALQVYOIIVHCDI-DRMAHVMPSA-N 1 2 345.491 2.430 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnnn1CC ZINC001109681694 805871303 /nfs/dbraw/zinc/87/13/03/805871303.db2.gz DOGXTCKNQQKKEF-VKZRIFJHSA-N 1 2 331.464 2.122 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnnn1CC ZINC001109681694 805871314 /nfs/dbraw/zinc/87/13/14/805871314.db2.gz DOGXTCKNQQKKEF-VKZRIFJHSA-N 1 2 331.464 2.122 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001079021569 788404518 /nfs/dbraw/zinc/40/45/18/788404518.db2.gz NJSKMWIREODACA-OAHLLOKOSA-N 1 2 346.475 2.312 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(c3ccccc3C)CC2)[C@H](O)C1 ZINC001090843453 788525551 /nfs/dbraw/zinc/52/55/51/788525551.db2.gz IOULRAZAKXGIMK-IAGOWNOFSA-N 1 2 348.874 2.331 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(c3ccccc3C)CC2)[C@H](O)C1 ZINC001090843453 788525560 /nfs/dbraw/zinc/52/55/60/788525560.db2.gz IOULRAZAKXGIMK-IAGOWNOFSA-N 1 2 348.874 2.331 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@@H](O)C1 ZINC001090841121 788539375 /nfs/dbraw/zinc/53/93/75/788539375.db2.gz KGNBBBBEIDWKCC-OLZOCXBDSA-N 1 2 328.884 2.363 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@@H](O)C1 ZINC001090841121 788539385 /nfs/dbraw/zinc/53/93/85/788539385.db2.gz KGNBBBBEIDWKCC-OLZOCXBDSA-N 1 2 328.884 2.363 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060795897 789024939 /nfs/dbraw/zinc/02/49/39/789024939.db2.gz YOLGENDUOHPYGE-JYJNAYRXSA-N 1 2 346.475 2.346 20 30 EEEDLO C#CCCCCC(=O)NC[C@@]1(C)C[N@H+](Cc2cnccc2C)CCO1 ZINC001107883531 789050312 /nfs/dbraw/zinc/05/03/12/789050312.db2.gz WDJPMCVVAPIJRG-FQEVSTJZSA-N 1 2 343.471 2.291 20 30 EEEDLO C#CCCCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2cnccc2C)CCO1 ZINC001107883531 789050329 /nfs/dbraw/zinc/05/03/29/789050329.db2.gz WDJPMCVVAPIJRG-FQEVSTJZSA-N 1 2 343.471 2.291 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)[C@]3(C)C=CCC3)CC2)C1 ZINC001105720392 789241780 /nfs/dbraw/zinc/24/17/80/789241780.db2.gz ZZVJGLMSRDVUSH-HXUWFJFHSA-N 1 2 348.487 2.237 20 30 EEEDLO COC(=O)c1cccc(COC(=O)C[C@H](C)n2cc[nH+]c2)c1C#N ZINC000845280737 789709641 /nfs/dbraw/zinc/70/96/41/789709641.db2.gz DIBCRWNVTJPRHY-LBPRGKRZSA-N 1 2 327.340 2.236 20 30 EEEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H](CC)CCCC)CC2 ZINC001127944659 789721733 /nfs/dbraw/zinc/72/17/33/789721733.db2.gz VNEAENWKQHDXSI-HZPDHXFCSA-N 1 2 345.491 2.038 20 30 EEEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)C[C@H](C)CCC)CC2 ZINC001127958662 789781043 /nfs/dbraw/zinc/78/10/43/789781043.db2.gz IMDSEOYBLBHIEM-CVEARBPZSA-N 1 2 345.491 2.038 20 30 EEEDLO CCOC(=O)[C@H]([NH2+][C@H](C)Cc1cccc(C#N)c1)C1CCOCC1 ZINC001171192557 789860329 /nfs/dbraw/zinc/86/03/29/789860329.db2.gz OODITCORPWUCDF-RDTXWAMCSA-N 1 2 330.428 2.437 20 30 EEEDLO Cc1nsc(NC[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)c1C#N ZINC001060313164 789974951 /nfs/dbraw/zinc/97/49/51/789974951.db2.gz PXUITDZDUHKAJD-ZDUSSCGKSA-N 1 2 344.444 2.082 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC1(CNC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001062883418 789980357 /nfs/dbraw/zinc/98/03/57/789980357.db2.gz RCIYECSDWFHEMX-AWEZNQCLSA-N 1 2 332.448 2.100 20 30 EEEDLO Cc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)cc1C#N ZINC000846094227 790048208 /nfs/dbraw/zinc/04/82/08/790048208.db2.gz CLGKUWYJKFOBPM-UHFFFAOYSA-N 1 2 348.410 2.139 20 30 EEEDLO CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)/C=C/C(=O)c1ccccc1 ZINC001144714264 790055821 /nfs/dbraw/zinc/05/58/21/790055821.db2.gz BNRVRXVKOOVMBW-BBVFFXRHSA-N 1 2 344.455 2.289 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CCc3c([nH+]c(C)n3CCO)C2)CCCCC1 ZINC000846121086 790057915 /nfs/dbraw/zinc/05/79/15/790057915.db2.gz HIQQGVRVXMTVJZ-MRXNPFEDSA-N 1 2 343.471 2.131 20 30 EEEDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@@H](C)Cc1cccc(C#N)c1 ZINC001171224979 790159930 /nfs/dbraw/zinc/15/99/30/790159930.db2.gz WISKFOUFMBLNKS-RUGDWHBFSA-N 1 2 328.412 2.142 20 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ZINC001091292240 790256161 /nfs/dbraw/zinc/25/61/61/790256161.db2.gz ZOLAKIVUEAOTNE-HUUCEWRRSA-N 1 2 346.479 2.442 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001106067389 791277242 /nfs/dbraw/zinc/27/72/42/791277242.db2.gz VYCBVHJYSLXLCK-DZGCQCFKSA-N 1 2 346.475 2.155 20 30 EEEDLO Cc1nc(N2CCC3(C2)CCN(C(=O)[C@H](C)C#N)CC3)c(C)c(C)[nH+]1 ZINC001063593928 791351434 /nfs/dbraw/zinc/35/14/34/791351434.db2.gz PHLRVGOGWFCMOF-CYBMUJFWSA-N 1 2 341.459 2.380 20 30 EEEDLO CC[C@@H](F)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(OCC#N)cc1 ZINC001032566647 791444348 /nfs/dbraw/zinc/44/43/48/791444348.db2.gz RUSKKBYLMUCYAW-YQQAZPJKSA-N 1 2 331.391 2.122 20 30 EEEDLO CC[C@@H](F)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(OCC#N)cc1 ZINC001032566647 791444352 /nfs/dbraw/zinc/44/43/52/791444352.db2.gz RUSKKBYLMUCYAW-YQQAZPJKSA-N 1 2 331.391 2.122 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H](Nc3cc[nH+]c(C)n3)[C@@H](C)C2)cn1 ZINC001063755313 791667643 /nfs/dbraw/zinc/66/76/43/791667643.db2.gz PBJZHLHSMGXOCG-GUYCJALGSA-N 1 2 335.411 2.124 20 30 EEEDLO Cc1nc(N[C@H](C)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)cc[nH+]1 ZINC001063878332 791872500 /nfs/dbraw/zinc/87/25/00/791872500.db2.gz RXIICWORPQLWPH-TZMCWYRMSA-N 1 2 338.415 2.338 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC1(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001063896372 791900456 /nfs/dbraw/zinc/90/04/56/791900456.db2.gz JONAWLVQGKCDDJ-CQSZACIVSA-N 1 2 346.475 2.346 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC1(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001063896372 791900460 /nfs/dbraw/zinc/90/04/60/791900460.db2.gz JONAWLVQGKCDDJ-CQSZACIVSA-N 1 2 346.475 2.346 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nnc(CC)o1)C2 ZINC001148110835 792159219 /nfs/dbraw/zinc/15/92/19/792159219.db2.gz ISPNAQDLMZPYIW-HNNXBMFYSA-N 1 2 344.459 2.421 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nnc(CC)o1)C2 ZINC001148110835 792159226 /nfs/dbraw/zinc/15/92/26/792159226.db2.gz ISPNAQDLMZPYIW-HNNXBMFYSA-N 1 2 344.459 2.421 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nnc(C)o1)C2 ZINC001148110870 792159344 /nfs/dbraw/zinc/15/93/44/792159344.db2.gz KLYGHLMQNWSXOR-AWEZNQCLSA-N 1 2 330.432 2.167 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nnc(C)o1)C2 ZINC001148110870 792159347 /nfs/dbraw/zinc/15/93/47/792159347.db2.gz KLYGHLMQNWSXOR-AWEZNQCLSA-N 1 2 330.432 2.167 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nncn1C)C2 ZINC001148126446 792203061 /nfs/dbraw/zinc/20/30/61/792203061.db2.gz XRCJGACAFLKATD-CABCVRRESA-N 1 2 331.464 2.013 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nncn1C)C2 ZINC001148126446 792203067 /nfs/dbraw/zinc/20/30/67/792203067.db2.gz XRCJGACAFLKATD-CABCVRRESA-N 1 2 331.464 2.013 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(Cl)c(Cl)n2C)C1 ZINC001107982178 792381989 /nfs/dbraw/zinc/38/19/89/792381989.db2.gz QMIBDVMKOHNWKG-HNNXBMFYSA-N 1 2 346.258 2.339 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(Cl)c(Cl)n2C)C1 ZINC001107982178 792381999 /nfs/dbraw/zinc/38/19/99/792381999.db2.gz QMIBDVMKOHNWKG-HNNXBMFYSA-N 1 2 346.258 2.339 20 30 EEEDLO N#Cc1ccc(NC[C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)nc1 ZINC001064187872 792643141 /nfs/dbraw/zinc/64/31/41/792643141.db2.gz IPJONSMEEVNOQT-GOEBONIOSA-N 1 2 338.415 2.006 20 30 EEEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@H](C)CCOC)C2)C1 ZINC001148783150 792676710 /nfs/dbraw/zinc/67/67/10/792676710.db2.gz AKHWRUFGRDPJKP-GFCCVEGCSA-N 1 2 345.281 2.102 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@H](C)CCOC)C2)C1 ZINC001148783150 792676718 /nfs/dbraw/zinc/67/67/18/792676718.db2.gz AKHWRUFGRDPJKP-GFCCVEGCSA-N 1 2 345.281 2.102 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001109907331 806198707 /nfs/dbraw/zinc/19/87/07/806198707.db2.gz SPFWQXFXEMFMKD-BBRMVZONSA-N 1 2 342.443 2.007 20 30 EEEDLO C=C1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](Cc2cn(C)nn2)CC3)CC1 ZINC000992150129 792932189 /nfs/dbraw/zinc/93/21/89/792932189.db2.gz HFZXCUZSVPNTCF-HKUYNNGSSA-N 1 2 343.475 2.175 20 30 EEEDLO C=C1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](Cc2cn(C)nn2)CC3)CC1 ZINC000992150129 792932199 /nfs/dbraw/zinc/93/21/99/792932199.db2.gz HFZXCUZSVPNTCF-HKUYNNGSSA-N 1 2 343.475 2.175 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001064400075 793038656 /nfs/dbraw/zinc/03/86/56/793038656.db2.gz RESCOYIDFIRAOG-KBXCAEBGSA-N 1 2 346.475 2.346 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC1(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001064400075 793038666 /nfs/dbraw/zinc/03/86/66/793038666.db2.gz RESCOYIDFIRAOG-KBXCAEBGSA-N 1 2 346.475 2.346 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC1CC(Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001092266419 793732861 /nfs/dbraw/zinc/73/28/61/793732861.db2.gz DFFAIJUFNAYHGU-UHFFFAOYSA-N 1 2 346.479 2.155 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2CCO[C@H]2C)CC1 ZINC001006195918 793740559 /nfs/dbraw/zinc/74/05/59/793740559.db2.gz DKNGHTGWMISNNT-JSGCOSHPSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H](CNc1[nH+]cnc2c1cnn2C)C1CC1 ZINC001109950460 806269782 /nfs/dbraw/zinc/26/97/82/806269782.db2.gz AVTCLCFMEMOKJW-WFASDCNBSA-N 1 2 342.447 2.272 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]21 ZINC001090320539 793853223 /nfs/dbraw/zinc/85/32/23/793853223.db2.gz INTPLFAGZXSVOH-DLBZAZTESA-N 1 2 344.459 2.032 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[C@@H]3C[C@@H]3CC1)c1nccn12 ZINC001092383612 793877608 /nfs/dbraw/zinc/87/76/08/793877608.db2.gz JQRZXLRLUSBQFH-NXOAAHMSSA-N 1 2 340.471 2.467 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)C1CC3(CCC3)C1)c1nccn12 ZINC001092387536 793882339 /nfs/dbraw/zinc/88/23/39/793882339.db2.gz YMOCWRGDCYPOLG-INIZCTEOSA-N 1 2 338.455 2.059 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc[nH]c1C(C)C)c1nccn12 ZINC001092388649 793884450 /nfs/dbraw/zinc/88/44/50/793884450.db2.gz KIILZWZZJYVWRM-HNNXBMFYSA-N 1 2 339.443 2.406 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1cccc(C)c1)c1nccn12 ZINC001092390492 793887846 /nfs/dbraw/zinc/88/78/46/793887846.db2.gz ABCRYORSDLLADH-GOSISDBHSA-N 1 2 348.450 2.029 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C(F)F)o1)c1nccn12 ZINC001092410163 793959777 /nfs/dbraw/zinc/95/97/77/793959777.db2.gz HXKYCOSDHRUYRV-NSHDSACASA-N 1 2 348.353 2.485 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](CNc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001109971403 806300477 /nfs/dbraw/zinc/30/04/77/806300477.db2.gz VNRIAVXYYTVMBX-KSSFIOAISA-N 1 2 346.479 2.155 20 30 EEEDLO C[C@H](CC(=O)N1CCC[C@H]1CNc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001065024742 794116590 /nfs/dbraw/zinc/11/65/90/794116590.db2.gz PDZJSWWQIIZTDG-ZBFHGGJFSA-N 1 2 338.415 2.204 20 30 EEEDLO CC(C)C(=O)N1CC[NH+]([C@H]2CCN(c3cccc(F)c3C#N)C2)CC1 ZINC001065187802 794309381 /nfs/dbraw/zinc/30/93/81/794309381.db2.gz LIBSOBHTUWBRMN-HNNXBMFYSA-N 1 2 344.434 2.076 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@]1(C)CN(c2nc(C)[nH+]c(C)c2C)CCO1 ZINC001092760347 794310372 /nfs/dbraw/zinc/31/03/72/794310372.db2.gz JLFMDIGQGPZBRN-IBGZPJMESA-N 1 2 346.475 2.470 20 30 EEEDLO Cc1nc(N2CC[C@@]3(C2)CCCCN(C(=O)C#CC2CC2)C3)cc[nH+]1 ZINC001065181073 794323380 /nfs/dbraw/zinc/32/33/80/794323380.db2.gz WQWMNXFOBXEVQP-HXUWFJFHSA-N 1 2 338.455 2.407 20 30 EEEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)C(F)F ZINC001079330815 794589508 /nfs/dbraw/zinc/58/95/08/794589508.db2.gz XVCWRKARDYMMML-BXUZGUMPSA-N 1 2 326.774 2.393 20 30 EEEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)C(F)F ZINC001079330815 794589511 /nfs/dbraw/zinc/58/95/11/794589511.db2.gz XVCWRKARDYMMML-BXUZGUMPSA-N 1 2 326.774 2.393 20 30 EEEDLO C[C@@H](CC(=O)N[C@@H](CNc1ncccc1C#N)C1CC1)n1cc[nH+]c1 ZINC001109991810 806343123 /nfs/dbraw/zinc/34/31/23/806343123.db2.gz RDCUNRQZJZFTDT-BBRMVZONSA-N 1 2 338.415 2.108 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4nn[nH]c43)CC[C@H]21 ZINC001036725404 794637947 /nfs/dbraw/zinc/63/79/47/794637947.db2.gz WXPFEECGAZWUGV-IUODEOHRSA-N 1 2 345.834 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc4nn[nH]c43)CC[C@H]21 ZINC001036725404 794637951 /nfs/dbraw/zinc/63/79/51/794637951.db2.gz WXPFEECGAZWUGV-IUODEOHRSA-N 1 2 345.834 2.247 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](CCc2ccc(Cl)cc2)C1 ZINC001030978543 794783361 /nfs/dbraw/zinc/78/33/61/794783361.db2.gz LBXDSDMWKSLVSH-SJORKVTESA-N 1 2 334.847 2.274 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001093186862 794844399 /nfs/dbraw/zinc/84/43/99/794844399.db2.gz JBCMKJIDOAHYQG-LJQANCHMSA-N 1 2 346.475 2.279 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079592400 794996846 /nfs/dbraw/zinc/99/68/46/794996846.db2.gz DXXNTOZPMIULKB-IAQYHMDHSA-N 1 2 343.818 2.185 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079592400 794996852 /nfs/dbraw/zinc/99/68/52/794996852.db2.gz DXXNTOZPMIULKB-IAQYHMDHSA-N 1 2 343.818 2.185 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([NH2+][C@@H](C)c3nc(C)no3)C2)cc1 ZINC000999854633 795011086 /nfs/dbraw/zinc/01/10/86/795011086.db2.gz BVUITVWPTZHWTR-GUYCJALGSA-N 1 2 338.411 2.315 20 30 EEEDLO N#Cc1cccnc1NC1(CNC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001093395524 795167271 /nfs/dbraw/zinc/16/72/71/795167271.db2.gz MIEBEYGUQBSXEK-UHFFFAOYSA-N 1 2 338.415 2.081 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)Cc3ccc(C)cc3)CC2)C1 ZINC001093550175 795369820 /nfs/dbraw/zinc/36/98/20/795369820.db2.gz IPXIHFJRYJSTCD-UHFFFAOYSA-N 1 2 328.456 2.415 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H]3CC(C)(C)CO3)CC2)C1 ZINC001093552158 795372194 /nfs/dbraw/zinc/37/21/94/795372194.db2.gz FPBSQASEGAZAPK-MRXNPFEDSA-N 1 2 336.476 2.069 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3ocnc3CC)CC2)C1 ZINC001093570456 795381559 /nfs/dbraw/zinc/38/15/59/795381559.db2.gz AOUXYHJPTGAZHB-UHFFFAOYSA-N 1 2 333.432 2.119 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](C)[C@@H]3CCCO3)CC2)C1 ZINC001093571426 795382367 /nfs/dbraw/zinc/38/23/67/795382367.db2.gz SMBYGSTYVYOLPP-YJBOKZPZSA-N 1 2 336.476 2.069 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)Cc3csc(CC)n3)CC2)C1 ZINC001093598334 795438649 /nfs/dbraw/zinc/43/86/49/795438649.db2.gz IZGWEFAWFXNVHD-UHFFFAOYSA-N 1 2 349.500 2.126 20 30 EEEDLO C=CCC1(C(=O)N[C@@H](C)CCNc2cc[nH+]c(C)n2)CCOCC1 ZINC001106397189 795503559 /nfs/dbraw/zinc/50/35/59/795503559.db2.gz LHOYONSFZPANAJ-AWEZNQCLSA-N 1 2 332.448 2.465 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106519342 795761740 /nfs/dbraw/zinc/76/17/40/795761740.db2.gz JVZDPJYUCARHNV-CQSZACIVSA-N 1 2 345.491 2.374 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106519342 795761744 /nfs/dbraw/zinc/76/17/44/795761744.db2.gz JVZDPJYUCARHNV-CQSZACIVSA-N 1 2 345.491 2.374 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001080678573 796313133 /nfs/dbraw/zinc/31/31/33/796313133.db2.gz QXAOWNLSGGUQNQ-MEBBXXQBSA-N 1 2 347.850 2.079 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001080678573 796313134 /nfs/dbraw/zinc/31/31/34/796313134.db2.gz QXAOWNLSGGUQNQ-MEBBXXQBSA-N 1 2 347.850 2.079 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](CCCC)C(C)C)C2)nn1 ZINC001098790091 796333085 /nfs/dbraw/zinc/33/30/85/796333085.db2.gz OMEKZVUNAVIELD-MSOLQXFVSA-N 1 2 345.491 2.237 20 30 EEEDLO CCc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)no1 ZINC001080805548 796396795 /nfs/dbraw/zinc/39/67/95/796396795.db2.gz YHTZBVJZTSEAMP-FZKQIMNGSA-N 1 2 338.411 2.359 20 30 EEEDLO CCc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)no1 ZINC001080805548 796396797 /nfs/dbraw/zinc/39/67/97/796396797.db2.gz YHTZBVJZTSEAMP-FZKQIMNGSA-N 1 2 338.411 2.359 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001081065916 796580809 /nfs/dbraw/zinc/58/08/09/796580809.db2.gz QCXZSCPHRBGNMK-NOZJJQNGSA-N 1 2 335.791 2.336 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001081065916 796580813 /nfs/dbraw/zinc/58/08/13/796580813.db2.gz QCXZSCPHRBGNMK-NOZJJQNGSA-N 1 2 335.791 2.336 20 30 EEEDLO C#Cc1ccc(C(=O)NC2C[NH+](CCc3ccc(Cl)cc3)C2)cn1 ZINC001031278063 796640232 /nfs/dbraw/zinc/64/02/32/796640232.db2.gz BTHOHHJHDFLUCT-UHFFFAOYSA-N 1 2 339.826 2.373 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cnccc2OC)[C@H]1C ZINC000993487051 796766387 /nfs/dbraw/zinc/76/63/87/796766387.db2.gz FZZMVDAGBVFPFO-HIFRSBDPSA-N 1 2 337.851 2.354 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cnccc2OC)[C@H]1C ZINC000993487051 796766391 /nfs/dbraw/zinc/76/63/91/796766391.db2.gz FZZMVDAGBVFPFO-HIFRSBDPSA-N 1 2 337.851 2.354 20 30 EEEDLO C[C@H](CC(=O)N1CC[C@H](CNc2ccc(C#N)nc2)C1)n1cc[nH+]c1 ZINC001061000508 796841620 /nfs/dbraw/zinc/84/16/20/796841620.db2.gz DSPZVYGNOKFSSG-HUUCEWRRSA-N 1 2 338.415 2.061 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnc(Cl)n2C)[C@@H]1C ZINC000993592361 796852288 /nfs/dbraw/zinc/85/22/88/796852288.db2.gz QFNKQQQWBSFZMO-WDEREUQCSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnc(Cl)n2C)[C@@H]1C ZINC000993592361 796852295 /nfs/dbraw/zinc/85/22/95/796852295.db2.gz QFNKQQQWBSFZMO-WDEREUQCSA-N 1 2 331.247 2.409 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2csnn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993630618 796885847 /nfs/dbraw/zinc/88/58/47/796885847.db2.gz HYBHGPHEJMCQNU-WFASDCNBSA-N 1 2 341.440 2.193 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2csnn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993630618 796885851 /nfs/dbraw/zinc/88/58/51/796885851.db2.gz HYBHGPHEJMCQNU-WFASDCNBSA-N 1 2 341.440 2.193 20 30 EEEDLO c1cnn(-c2ccc(N=NCc3ccc(-n4cc[nH+]c4)cc3)nn2)c1 ZINC000915972002 797462141 /nfs/dbraw/zinc/46/21/41/797462141.db2.gz UGPCNRJAZVMPRO-UHFFFAOYSA-N 1 2 330.355 2.294 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001082721620 797662362 /nfs/dbraw/zinc/66/23/62/797662362.db2.gz BKBFXUVTDLIWTK-DFHBCGBQSA-N 1 2 332.448 2.486 20 30 EEEDLO Cc1cc(N[C@@H]2CCCN(C(=O)CSCC#N)C2)nc(C2CC2)[nH+]1 ZINC001095287457 797707233 /nfs/dbraw/zinc/70/72/33/797707233.db2.gz WPXDLLCAMMFCQC-CQSZACIVSA-N 1 2 345.472 2.322 20 30 EEEDLO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3sc(Cl)nc3C)[C@H]2C1 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KOLFDIQTLFJAGI-YOEHRIQHSA-N 1 2 337.427 2.075 20 30 EEEDLO Cc1nonc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)[C@H]1C ZINC000994521968 798208261 /nfs/dbraw/zinc/20/82/61/798208261.db2.gz BOBLSMHCLJMLPH-BBRMVZONSA-N 1 2 339.399 2.033 20 30 EEEDLO Cc1nonc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@H]1C ZINC000994521968 798208263 /nfs/dbraw/zinc/20/82/63/798208263.db2.gz BOBLSMHCLJMLPH-BBRMVZONSA-N 1 2 339.399 2.033 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4cc[nH]c4c3)[C@@H]2C1 ZINC001084441165 798227645 /nfs/dbraw/zinc/22/76/45/798227645.db2.gz HSOHBAMWNJZQIP-MLGOLLRUSA-N 1 2 330.819 2.462 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnc4cc[nH]c4c3)[C@@H]2C1 ZINC001084441165 798227649 /nfs/dbraw/zinc/22/76/49/798227649.db2.gz HSOHBAMWNJZQIP-MLGOLLRUSA-N 1 2 330.819 2.462 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001108051477 798668650 /nfs/dbraw/zinc/66/86/50/798668650.db2.gz KRBBFGNEYVBWBY-LJQANCHMSA-N 1 2 332.444 2.319 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001108051477 798668653 /nfs/dbraw/zinc/66/86/53/798668653.db2.gz KRBBFGNEYVBWBY-LJQANCHMSA-N 1 2 332.444 2.319 20 30 EEEDLO CC(C)C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1cccc(F)c1C#N ZINC000922025566 798697038 /nfs/dbraw/zinc/69/70/38/798697038.db2.gz HTIKGPDSCOQFRK-ZDUSSCGKSA-N 1 2 339.436 2.048 20 30 EEEDLO CC(C)C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cccc(F)c1C#N ZINC000922025566 798697041 /nfs/dbraw/zinc/69/70/41/798697041.db2.gz HTIKGPDSCOQFRK-ZDUSSCGKSA-N 1 2 339.436 2.048 20 30 EEEDLO C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)CCC=C)C1 ZINC001177520468 799001384 /nfs/dbraw/zinc/00/13/84/799001384.db2.gz PERKMEDACJWIJH-UHFFFAOYSA-N 1 2 326.440 2.051 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C3(COC)CCCC3)c2C1 ZINC001128376041 799114263 /nfs/dbraw/zinc/11/42/63/799114263.db2.gz AELOFGZDCDMIPD-UHFFFAOYSA-N 1 2 346.475 2.098 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C3(COC)CCCC3)c2C1 ZINC001128376041 799114267 /nfs/dbraw/zinc/11/42/67/799114267.db2.gz 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C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)c3ccsc3)CC2)C1 ZINC001065691783 799366834 /nfs/dbraw/zinc/36/68/34/799366834.db2.gz MNOAZGQTOWGRIQ-INIZCTEOSA-N 1 2 347.484 2.073 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C[C@@H](C)C3CC3)CC2)C1 ZINC001065695190 799375099 /nfs/dbraw/zinc/37/50/99/799375099.db2.gz SYJOOAWALJBFJV-SJLPKXTDSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)CCCC)CC2)C1 ZINC001065709568 799405029 /nfs/dbraw/zinc/40/50/29/799405029.db2.gz WUFXFALSVLMEDJ-INIZCTEOSA-N 1 2 335.492 2.134 20 30 EEEDLO C[C@H](Nc1cccc(F)c1C#N)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001065729950 799444703 /nfs/dbraw/zinc/44/47/03/799444703.db2.gz WIPGYDXLQBTFRU-QWHCGFSZSA-N 1 2 341.390 2.312 20 30 EEEDLO Cc1ncc(C#N)cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001178988304 799733887 /nfs/dbraw/zinc/73/38/87/799733887.db2.gz TZEUQBKONAIAQF-GOSISDBHSA-N 1 2 336.395 2.101 20 30 EEEDLO Cc1ncc(C#N)cc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001178988304 799733890 /nfs/dbraw/zinc/73/38/90/799733890.db2.gz TZEUQBKONAIAQF-GOSISDBHSA-N 1 2 336.395 2.101 20 30 EEEDLO C=CCCC(=O)N(C)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001078870974 799805788 /nfs/dbraw/zinc/80/57/88/799805788.db2.gz FVUPHPYSGFQTHQ-HNNXBMFYSA-N 1 2 332.448 2.148 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2scnc2COC)CC1 ZINC001003759818 800108612 /nfs/dbraw/zinc/10/86/12/800108612.db2.gz PBMKZUHRDNLZGH-UHFFFAOYSA-N 1 2 329.853 2.236 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001066212832 800204939 /nfs/dbraw/zinc/20/49/39/800204939.db2.gz ATNZVEHKTZOCCE-HNNXBMFYSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001066212832 800204942 /nfs/dbraw/zinc/20/49/42/800204942.db2.gz ATNZVEHKTZOCCE-HNNXBMFYSA-N 1 2 346.475 2.442 20 30 EEEDLO CN(C(=O)c1ccon1)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032932338 800434821 /nfs/dbraw/zinc/43/48/21/800434821.db2.gz UHIVOAJFEABHNC-MRXNPFEDSA-N 1 2 327.359 2.012 20 30 EEEDLO 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/nfs/dbraw/zinc/55/56/60/800555660.db2.gz HAQSDEWKHXSUBS-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1nc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)c[nH]1 ZINC001032959641 800555665 /nfs/dbraw/zinc/55/56/65/800555665.db2.gz HAQSDEWKHXSUBS-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)C1CCC(O)CC1 ZINC001085569240 800795276 /nfs/dbraw/zinc/79/52/76/800795276.db2.gz DKJODBZDVNERKX-GPJFCIFZSA-N 1 2 340.467 2.122 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)C1CCC(O)CC1 ZINC001085569240 800795280 /nfs/dbraw/zinc/79/52/80/800795280.db2.gz DKJODBZDVNERKX-GPJFCIFZSA-N 1 2 340.467 2.122 20 30 EEEDLO CCn1ccnc1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085570170 800797623 /nfs/dbraw/zinc/79/76/23/800797623.db2.gz DAHGPUZVKLXVIL-GOSISDBHSA-N 1 2 336.439 2.101 20 30 EEEDLO CCn1ccnc1C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085570170 800797626 /nfs/dbraw/zinc/79/76/26/800797626.db2.gz DAHGPUZVKLXVIL-GOSISDBHSA-N 1 2 336.439 2.101 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001181469886 800799640 /nfs/dbraw/zinc/79/96/40/800799640.db2.gz VDAFZDSPEJHHKG-UKRRQHHQSA-N 1 2 348.447 2.009 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@H]1CC1(F)F ZINC001085586150 800827125 /nfs/dbraw/zinc/82/71/25/800827125.db2.gz OSUKULCBTQLUDK-HZPDHXFCSA-N 1 2 336.357 2.365 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@H]1CC1(F)F ZINC001085586150 800827131 /nfs/dbraw/zinc/82/71/31/800827131.db2.gz OSUKULCBTQLUDK-HZPDHXFCSA-N 1 2 336.357 2.365 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)sc1C ZINC001033022430 800858055 /nfs/dbraw/zinc/85/80/55/800858055.db2.gz NPHPOCBNCSVHNT-AWEZNQCLSA-N 1 2 343.456 2.306 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)sc1C ZINC001033022430 800858059 /nfs/dbraw/zinc/85/80/59/800858059.db2.gz NPHPOCBNCSVHNT-AWEZNQCLSA-N 1 2 343.456 2.306 20 30 EEEDLO COc1ccc(C#CC(=O)N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)cc1 ZINC001182047574 801012980 /nfs/dbraw/zinc/01/29/80/801012980.db2.gz TZVCNFOBRIDRTP-NRFANRHFSA-N 1 2 346.430 2.488 20 30 EEEDLO COc1ccc(C#CC(=O)N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)cc1 ZINC001182047574 801012982 /nfs/dbraw/zinc/01/29/82/801012982.db2.gz TZVCNFOBRIDRTP-NRFANRHFSA-N 1 2 346.430 2.488 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)c1cc(F)c[nH]1 ZINC001085730052 801133840 /nfs/dbraw/zinc/13/38/40/801133840.db2.gz OAYTVGOPXLWMDF-QGZVFWFLSA-N 1 2 343.377 2.491 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)c1cc(F)c[nH]1 ZINC001085730052 801133843 /nfs/dbraw/zinc/13/38/43/801133843.db2.gz OAYTVGOPXLWMDF-QGZVFWFLSA-N 1 2 343.377 2.491 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CC[C@@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC001182458037 801194473 /nfs/dbraw/zinc/19/44/73/801194473.db2.gz AEYKYQOLHNTNEH-CQSZACIVSA-N 1 2 342.399 2.070 20 30 EEEDLO CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110318682 801255004 /nfs/dbraw/zinc/25/50/04/801255004.db2.gz WRPYTIGLMXYOMY-XFHKCVFHSA-N 1 2 345.418 2.344 20 30 EEEDLO CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110318682 801255010 /nfs/dbraw/zinc/25/50/10/801255010.db2.gz WRPYTIGLMXYOMY-XFHKCVFHSA-N 1 2 345.418 2.344 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1Br ZINC001085912026 801635872 /nfs/dbraw/zinc/63/58/72/801635872.db2.gz UKVVIFIQHHTFCG-NSHDSACASA-N 1 2 325.206 2.212 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1Br ZINC001085912026 801635878 /nfs/dbraw/zinc/63/58/78/801635878.db2.gz UKVVIFIQHHTFCG-NSHDSACASA-N 1 2 325.206 2.212 20 30 EEEDLO C[C@H]1CC[C@@H](CO)N1C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183828795 801759971 /nfs/dbraw/zinc/75/99/71/801759971.db2.gz MRPSUVGVNUBVJE-SNRMKQJTSA-N 1 2 341.455 2.285 20 30 EEEDLO C[C@H]1CC[C@@H](CO)N1C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183828795 801759972 /nfs/dbraw/zinc/75/99/72/801759972.db2.gz MRPSUVGVNUBVJE-SNRMKQJTSA-N 1 2 341.455 2.285 20 30 EEEDLO N#Cc1ccc(N2CC[C@@H](C(=O)OCc3ccc[nH+]c3N)C2)c(F)c1 ZINC000922729260 801778471 /nfs/dbraw/zinc/77/84/71/801778471.db2.gz AASNXHVXXDUWAS-CYBMUJFWSA-N 1 2 340.358 2.244 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001108240110 802059880 /nfs/dbraw/zinc/05/98/80/802059880.db2.gz AWQVAATVDDGULA-KRWDZBQOSA-N 1 2 340.826 2.415 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001108240110 802059886 /nfs/dbraw/zinc/05/98/86/802059886.db2.gz AWQVAATVDDGULA-KRWDZBQOSA-N 1 2 340.826 2.415 20 30 EEEDLO CCc1cccc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004456417 802115831 /nfs/dbraw/zinc/11/58/31/802115831.db2.gz GJFSKAKVKAQIQV-GOSISDBHSA-N 1 2 326.444 2.484 20 30 EEEDLO CCc1cccc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004456417 802115835 /nfs/dbraw/zinc/11/58/35/802115835.db2.gz GJFSKAKVKAQIQV-GOSISDBHSA-N 1 2 326.444 2.484 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001066386173 802121922 /nfs/dbraw/zinc/12/19/22/802121922.db2.gz ZDWBLAMKPXSAIB-HNNXBMFYSA-N 1 2 346.475 2.062 20 30 EEEDLO N#Cc1c(F)cccc1NCC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001066388607 802133671 /nfs/dbraw/zinc/13/36/71/802133671.db2.gz VZROZIQTIJVMSG-ZDUSSCGKSA-N 1 2 341.390 2.314 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cc3cccn3cn2)CC1 ZINC001004468613 802151323 /nfs/dbraw/zinc/15/13/23/802151323.db2.gz IBDOBTUTNDTHRA-SFHVURJKSA-N 1 2 337.427 2.174 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cc3cccn3cn2)CC1 ZINC001004468613 802151327 /nfs/dbraw/zinc/15/13/27/802151327.db2.gz IBDOBTUTNDTHRA-SFHVURJKSA-N 1 2 337.427 2.174 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001108243574 802183457 /nfs/dbraw/zinc/18/34/57/802183457.db2.gz UTVOMNJJGMCQJC-TZIWHRDSSA-N 1 2 340.467 2.022 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001108243574 802183460 /nfs/dbraw/zinc/18/34/60/802183460.db2.gz UTVOMNJJGMCQJC-TZIWHRDSSA-N 1 2 340.467 2.022 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2(c3cccnc3)CC2)CC1 ZINC001004528342 802303300 /nfs/dbraw/zinc/30/33/00/802303300.db2.gz NMWVOMKGZZVGMY-GOSISDBHSA-N 1 2 338.455 2.340 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2(c3cccnc3)CC2)CC1 ZINC001004528342 802303307 /nfs/dbraw/zinc/30/33/07/802303307.db2.gz NMWVOMKGZZVGMY-GOSISDBHSA-N 1 2 338.455 2.340 20 30 EEEDLO CC#CCCCC(=O)N1CC[C@@H]([NH2+]Cc2nc([C@H](C)OCC)no2)C1 ZINC001185034923 802317530 /nfs/dbraw/zinc/31/75/30/802317530.db2.gz HWKCSDXQQHZNHF-LSDHHAIUSA-N 1 2 348.447 2.051 20 30 EEEDLO CCc1c(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)ccn1C ZINC001004545606 802342412 /nfs/dbraw/zinc/34/24/12/802342412.db2.gz DSQSQZFHOBVVFY-GOSISDBHSA-N 1 2 328.460 2.428 20 30 EEEDLO CCc1c(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)ccn1C ZINC001004545606 802342421 /nfs/dbraw/zinc/34/24/21/802342421.db2.gz DSQSQZFHOBVVFY-GOSISDBHSA-N 1 2 328.460 2.428 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cn(CC)nc2C(C)C)C1 ZINC001108248682 802356268 /nfs/dbraw/zinc/35/62/68/802356268.db2.gz OSTROJIXHOMORE-GOSISDBHSA-N 1 2 334.464 2.033 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cn(CC)nc2C(C)C)C1 ZINC001108248682 802356276 /nfs/dbraw/zinc/35/62/76/802356276.db2.gz OSTROJIXHOMORE-GOSISDBHSA-N 1 2 334.464 2.033 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001066432558 802404771 /nfs/dbraw/zinc/40/47/71/802404771.db2.gz YUSRZVBMUOIXMY-HOTGVXAUSA-N 1 2 346.475 2.062 20 30 EEEDLO CCCc1nc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)co1 ZINC001004595759 802448923 /nfs/dbraw/zinc/44/89/23/802448923.db2.gz IMPNWZYFTWTONA-INIZCTEOSA-N 1 2 330.432 2.467 20 30 EEEDLO CCCc1nc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)co1 ZINC001004595759 802448924 /nfs/dbraw/zinc/44/89/24/802448924.db2.gz IMPNWZYFTWTONA-INIZCTEOSA-N 1 2 330.432 2.467 20 30 EEEDLO Cc1cc(C)n([C@H](C)C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004624962 802488051 /nfs/dbraw/zinc/48/80/51/802488051.db2.gz MQJXUEJEQGEQGZ-SJLPKXTDSA-N 1 2 343.475 2.288 20 30 EEEDLO Cc1cc(C)n([C@H](C)C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004624962 802488054 /nfs/dbraw/zinc/48/80/54/802488054.db2.gz MQJXUEJEQGEQGZ-SJLPKXTDSA-N 1 2 343.475 2.288 20 30 EEEDLO Cc1noc(C(=O)N(C)[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)c1C ZINC001033174976 802753468 /nfs/dbraw/zinc/75/34/68/802753468.db2.gz PMEDPYBDUYOMEO-SFHVURJKSA-N 1 2 337.423 2.489 20 30 EEEDLO Cc1noc(C(=O)N(C)[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1C ZINC001033174976 802753472 /nfs/dbraw/zinc/75/34/72/802753472.db2.gz PMEDPYBDUYOMEO-SFHVURJKSA-N 1 2 337.423 2.489 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NCC[NH2+]Cc1nc2c(o1)CCCC2)OCC ZINC001128540626 802841381 /nfs/dbraw/zinc/84/13/81/802841381.db2.gz ZUFSXANIOGVTSQ-MRXNPFEDSA-N 1 2 335.448 2.131 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC001086384346 802867688 /nfs/dbraw/zinc/86/76/88/802867688.db2.gz QIGCJNZFWNYWBP-JOCQHMNTSA-N 1 2 345.834 2.322 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2coc3ccccc23)C1 ZINC001108301941 803257862 /nfs/dbraw/zinc/25/78/62/803257862.db2.gz ACVBTDLDNZKQNS-LJQANCHMSA-N 1 2 328.412 2.368 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2coc3ccccc23)C1 ZINC001108301941 803257869 /nfs/dbraw/zinc/25/78/69/803257869.db2.gz ACVBTDLDNZKQNS-LJQANCHMSA-N 1 2 328.412 2.368 20 30 EEEDLO C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2n[nH]c3ccccc32)C1 ZINC001108376520 803398063 /nfs/dbraw/zinc/39/80/63/803398063.db2.gz NOAZRZXVFJZLOQ-IBGZPJMESA-N 1 2 342.443 2.350 20 30 EEEDLO C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)c2n[nH]c3ccccc32)C1 ZINC001108376520 803398068 /nfs/dbraw/zinc/39/80/68/803398068.db2.gz NOAZRZXVFJZLOQ-IBGZPJMESA-N 1 2 342.443 2.350 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(OC)c(OCC)c2)C1 ZINC001108386240 803432383 /nfs/dbraw/zinc/43/23/83/803432383.db2.gz ZOYKLYLCOHWKOY-LJQANCHMSA-N 1 2 348.443 2.101 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(OC)c(OCC)c2)C1 ZINC001108386240 803432385 /nfs/dbraw/zinc/43/23/85/803432385.db2.gz ZOYKLYLCOHWKOY-LJQANCHMSA-N 1 2 348.443 2.101 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001108422653 803536998 /nfs/dbraw/zinc/53/69/98/803536998.db2.gz YXYYKPROUILCCV-HNAYVOBHSA-N 1 2 332.444 2.192 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001108422653 803537001 /nfs/dbraw/zinc/53/70/01/803537001.db2.gz YXYYKPROUILCCV-HNAYVOBHSA-N 1 2 332.444 2.192 20 30 EEEDLO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CO[NH+]=C(N)CCO)cc1 ZINC000121346056 803731154 /nfs/dbraw/zinc/73/11/54/803731154.db2.gz JQPHJUCMUZMVGP-INIZCTEOSA-N 1 2 347.459 2.319 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CCCCCCCC)CC2=O)C1 ZINC001108587440 804218690 /nfs/dbraw/zinc/21/86/90/804218690.db2.gz NTXGQAVJYZUQCY-MRXNPFEDSA-N 1 2 335.492 2.324 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC001112676462 806990642 /nfs/dbraw/zinc/99/06/42/806990642.db2.gz MHTWCFGOIOMIPQ-MRXNPFEDSA-N 1 2 344.455 2.342 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(Cl)Cl ZINC001109212967 805128795 /nfs/dbraw/zinc/12/87/95/805128795.db2.gz KXWHIXOWAZOVLW-OXJKWZBOSA-N 1 2 333.259 2.354 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(Cl)Cl ZINC001109212967 805128801 /nfs/dbraw/zinc/12/88/01/805128801.db2.gz KXWHIXOWAZOVLW-OXJKWZBOSA-N 1 2 333.259 2.354 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(Cl)Cl ZINC001109212968 805128965 /nfs/dbraw/zinc/12/89/65/805128965.db2.gz KXWHIXOWAZOVLW-YXMPFFBPSA-N 1 2 333.259 2.354 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(Cl)Cl ZINC001109212968 805128970 /nfs/dbraw/zinc/12/89/70/805128970.db2.gz KXWHIXOWAZOVLW-YXMPFFBPSA-N 1 2 333.259 2.354 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1F ZINC001109266918 805213821 /nfs/dbraw/zinc/21/38/21/805213821.db2.gz JDNIBVJPOLTZOU-FXBSTXGRSA-N 1 2 348.393 2.225 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1F ZINC001109266918 805213827 /nfs/dbraw/zinc/21/38/27/805213827.db2.gz JDNIBVJPOLTZOU-FXBSTXGRSA-N 1 2 348.393 2.225 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CN(C)c1cccc(F)c1C#N ZINC001109268757 805216923 /nfs/dbraw/zinc/21/69/23/805216923.db2.gz DGLSWOJDFFQROU-OLZOCXBDSA-N 1 2 343.406 2.240 20 30 EEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CN(C)c1cccc(F)c1C#N ZINC001109268757 805216926 /nfs/dbraw/zinc/21/69/26/805216926.db2.gz DGLSWOJDFFQROU-OLZOCXBDSA-N 1 2 343.406 2.240 20 30 EEEDLO Cc1nc(N[C@@H]2c3ccccc3C[C@H]2NC(=O)C#CC2CC2)cc[nH+]1 ZINC001112775608 807213879 /nfs/dbraw/zinc/21/38/79/807213879.db2.gz CNROOFYCTOIPOM-YLJYHZDGSA-N 1 2 332.407 2.393 20 30 EEEDLO C#CCCCC(=O)N1CC[NH+](CCOc2ccc(OCC)cc2)CC1 ZINC001112799713 807292072 /nfs/dbraw/zinc/29/20/72/807292072.db2.gz VEMWXRJJPRYNDX-UHFFFAOYSA-N 1 2 344.455 2.412 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC1CC(CNc2[nH+]cnc3c2cnn3C)C1 ZINC001112866669 807495252 /nfs/dbraw/zinc/49/52/52/807495252.db2.gz LRONICSXVPNJMS-IYXRBSQSSA-N 1 2 342.447 2.272 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 ZINC001113081140 808063708 /nfs/dbraw/zinc/06/37/08/808063708.db2.gz RGDWHSSWHXEARW-UHFFFAOYSA-N 1 2 340.427 2.037 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](CCOCCC(C)C)CC1 ZINC001113158933 808296933 /nfs/dbraw/zinc/29/69/33/808296933.db2.gz QZNRZNALGXMPOQ-LJQANCHMSA-N 1 2 340.508 2.422 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](CCOCC2CCC2)CC1 ZINC001113164485 808319153 /nfs/dbraw/zinc/31/91/53/808319153.db2.gz PVBKYDCATSMKFP-LJQANCHMSA-N 1 2 338.492 2.176 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H](C)[C@@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001113185123 808403032 /nfs/dbraw/zinc/40/30/32/808403032.db2.gz DRSGFDBSXLACFK-ZIAGYGMSSA-N 1 2 345.491 2.372 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H](C)[C@@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001113185123 808403035 /nfs/dbraw/zinc/40/30/35/808403035.db2.gz DRSGFDBSXLACFK-ZIAGYGMSSA-N 1 2 345.491 2.372 20 30 EEEDLO C=CC1(CC(=O)N2CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)CCCCC1 ZINC001113428133 808954754 /nfs/dbraw/zinc/95/47/54/808954754.db2.gz GJXBCFLBOVKPIB-QGZVFWFLSA-N 1 2 347.503 2.278 20 30 EEEDLO C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)N(C)c1cccc(F)c1C#N ZINC001113903203 810040145 /nfs/dbraw/zinc/04/01/45/810040145.db2.gz VOZDUGYLYDPEBF-UONOGXRCSA-N 1 2 343.406 2.486 20 30 EEEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)Nc3ccc(C)cc3F)C[C@H]21 ZINC001114002527 810175733 /nfs/dbraw/zinc/17/57/33/810175733.db2.gz MEWQQJJCBTWFRI-BDQBCWGISA-N 1 2 345.418 2.085 20 30 EEEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)Nc3ccc(C)cc3F)C[C@H]21 ZINC001114002527 810175736 /nfs/dbraw/zinc/17/57/36/810175736.db2.gz MEWQQJJCBTWFRI-BDQBCWGISA-N 1 2 345.418 2.085 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(C(C)(C)C)cs3)C[C@H]21 ZINC001114069069 810300810 /nfs/dbraw/zinc/30/08/10/810300810.db2.gz CAXOOIWBINLMLQ-UUIJZJDISA-N 1 2 332.473 2.147 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(C(C)(C)C)cs3)C[C@H]21 ZINC001114069069 810300819 /nfs/dbraw/zinc/30/08/19/810300819.db2.gz CAXOOIWBINLMLQ-UUIJZJDISA-N 1 2 332.473 2.147 20 30 EEEDLO CCCC[C@@H](CNc1ccc(C#N)nc1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001114245628 810672722 /nfs/dbraw/zinc/67/27/22/810672722.db2.gz QNMDZQCLKPYADL-INIZCTEOSA-N 1 2 340.431 2.396 20 30 EEEDLO CCCC[C@H](CNc1snc(C)c1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001114264428 810710461 /nfs/dbraw/zinc/71/04/61/810710461.db2.gz RZLYFTKESXMSAV-CYBMUJFWSA-N 1 2 346.460 2.307 20 30 EEEDLO N#CCSCCCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000805462715 811300393 /nfs/dbraw/zinc/30/03/93/811300393.db2.gz QTMPBNUMLOBCPD-INIZCTEOSA-N 1 2 334.441 2.077 20 30 EEEDLO N#CCSCCCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000805462715 811300404 /nfs/dbraw/zinc/30/04/04/811300404.db2.gz QTMPBNUMLOBCPD-INIZCTEOSA-N 1 2 334.441 2.077 20 30 EEEDLO C=CCCC(=O)N1C[C@H](c2nnc(C)[nH]2)C2(C[NH+](C/C=C/Cl)C2)C1 ZINC001130460831 811701508 /nfs/dbraw/zinc/70/15/08/811701508.db2.gz ACDUBIAVHOIGBC-HZRUHFOJSA-N 1 2 349.866 2.060 20 30 EEEDLO CCCN(C(=O)[C@H](C)C#N)C1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC001436759657 1088271580 /nfs/dbraw/zinc/27/15/80/1088271580.db2.gz OPSKZODRUDMQQK-CABCVRRESA-N 1 2 329.448 2.400 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cnc2cc(C)nn2c1C ZINC001437620522 1090131390 /nfs/dbraw/zinc/13/13/90/1090131390.db2.gz YCVSFYXVVGJCTI-UHFFFAOYSA-N 1 2 335.839 2.150 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cnc2cc(C)nn2c1C ZINC001437620522 1090131392 /nfs/dbraw/zinc/13/13/92/1090131392.db2.gz YCVSFYXVVGJCTI-UHFFFAOYSA-N 1 2 335.839 2.150 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CN1CCCCCC1=O ZINC001441643109 1095566243 /nfs/dbraw/zinc/56/62/43/1095566243.db2.gz PICDCZSAXKYCHD-OAHLLOKOSA-N 1 2 341.883 2.112 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CN1CCCCCC1=O ZINC001441643109 1095566245 /nfs/dbraw/zinc/56/62/45/1095566245.db2.gz PICDCZSAXKYCHD-OAHLLOKOSA-N 1 2 341.883 2.112 20 30 EEEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)[C@H]1CCCOC1 ZINC001442920627 1097308248 /nfs/dbraw/zinc/30/82/48/1097308248.db2.gz NGOWUCITDQQKRU-ZDUSSCGKSA-N 1 2 333.270 2.150 20 30 EEEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)[C@H]1CCCOC1 ZINC001442920627 1097308254 /nfs/dbraw/zinc/30/82/54/1097308254.db2.gz NGOWUCITDQQKRU-ZDUSSCGKSA-N 1 2 333.270 2.150 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@]1(C)CCOC1 ZINC001445057349 1100246891 /nfs/dbraw/zinc/24/68/91/1100246891.db2.gz YARKAMANRDJMAQ-SFHVURJKSA-N 1 2 333.407 2.014 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@]1(C)CCOC1 ZINC001445057349 1100246892 /nfs/dbraw/zinc/24/68/92/1100246892.db2.gz YARKAMANRDJMAQ-SFHVURJKSA-N 1 2 333.407 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc(-n2ccnn2)cc1 ZINC001445062456 1100252998 /nfs/dbraw/zinc/25/29/98/1100252998.db2.gz WUFFQSMRGURHAJ-UHFFFAOYSA-N 1 2 333.823 2.024 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc(-n2ccnn2)cc1 ZINC001445062456 1100253003 /nfs/dbraw/zinc/25/30/03/1100253003.db2.gz WUFFQSMRGURHAJ-UHFFFAOYSA-N 1 2 333.823 2.024 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)CC(F)(F)F)C1 ZINC001446522021 1100976923 /nfs/dbraw/zinc/97/69/23/1100976923.db2.gz BKQKUTJPSBJWSP-JTQLQIEISA-N 1 2 329.160 2.428 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)CC(F)(F)F)C1 ZINC001446522021 1100976931 /nfs/dbraw/zinc/97/69/31/1100976931.db2.gz BKQKUTJPSBJWSP-JTQLQIEISA-N 1 2 329.160 2.428 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(-n2cccn2)nc1 ZINC001448070412 1103938116 /nfs/dbraw/zinc/93/81/16/1103938116.db2.gz KZSLUGFWCWJORH-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(-n2cccn2)nc1 ZINC001448070412 1103938120 /nfs/dbraw/zinc/93/81/20/1103938120.db2.gz KZSLUGFWCWJORH-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001494754687 1104335956 /nfs/dbraw/zinc/33/59/56/1104335956.db2.gz KHUPUIOCVSFGLK-TZMCWYRMSA-N 1 2 338.810 2.208 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001494754687 1104335969 /nfs/dbraw/zinc/33/59/69/1104335969.db2.gz KHUPUIOCVSFGLK-TZMCWYRMSA-N 1 2 338.810 2.208 20 30 EEEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC001473685369 1110578862 /nfs/dbraw/zinc/57/88/62/1110578862.db2.gz UYEFAQFRDFGKCE-MGPLVRAMSA-N 1 2 336.351 2.282 20 30 EEEDLO Cn1c[nH+]cc1C1CCN(C(=O)c2ccc(C#N)c(Cl)n2)CC1 ZINC001519061758 1119071101 /nfs/dbraw/zinc/07/11/01/1119071101.db2.gz XXLLKIJBHDRZEE-UHFFFAOYSA-N 1 2 329.791 2.360 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001520325803 1119146281 /nfs/dbraw/zinc/14/62/81/1119146281.db2.gz MMUHZBZNJCQWGO-SJORKVTESA-N 1 2 345.491 2.313 20 30 EEEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000181059451 529899409 /nfs/dbraw/zinc/89/94/09/529899409.db2.gz QSTNWBRQIUYXJT-AWEZNQCLSA-N 1 2 336.233 2.421 20 30 EEEDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000181059451 529899410 /nfs/dbraw/zinc/89/94/10/529899410.db2.gz QSTNWBRQIUYXJT-AWEZNQCLSA-N 1 2 336.233 2.421 20 30 EEEDLO C=CC[N@@H+](CC(=O)NCCC(=O)OC)Cc1ccc(Cl)s1 ZINC000066864033 215088180 /nfs/dbraw/zinc/08/81/80/215088180.db2.gz ULKAHMQLZHZCJX-UHFFFAOYSA-N 1 2 330.837 2.069 20 30 EEEDLO C=CC[N@H+](CC(=O)NCCC(=O)OC)Cc1ccc(Cl)s1 ZINC000066864033 215088183 /nfs/dbraw/zinc/08/81/83/215088183.db2.gz ULKAHMQLZHZCJX-UHFFFAOYSA-N 1 2 330.837 2.069 20 30 EEEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)C1CCOCC1 ZINC000328771097 539761087 /nfs/dbraw/zinc/76/10/87/539761087.db2.gz AKZVCROAKNUXRT-UHFFFAOYSA-N 1 2 330.388 2.414 20 30 EEEDLO C[C@@H]1CCCC[C@@H]1CNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000329134686 539767297 /nfs/dbraw/zinc/76/72/97/539767297.db2.gz BURAUVACODTRFD-NVXWUHKLSA-N 1 2 333.480 2.278 20 30 EEEDLO N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000370138941 238256157 /nfs/dbraw/zinc/25/61/57/238256157.db2.gz AFIWUZRKPLXKLE-WMZOPIPTSA-N 1 2 349.438 2.239 20 30 EEEDLO C=CC[N@@H+](CCOc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 ZINC000072629649 216284741 /nfs/dbraw/zinc/28/47/41/216284741.db2.gz BYHMVYSOUZBLAJ-HNNXBMFYSA-N 1 2 339.457 2.139 20 30 EEEDLO C=CC[N@H+](CCOc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 ZINC000072629649 216284743 /nfs/dbraw/zinc/28/47/43/216284743.db2.gz BYHMVYSOUZBLAJ-HNNXBMFYSA-N 1 2 339.457 2.139 20 30 EEEDLO Cn1cc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1C#N ZINC000191440018 239114003 /nfs/dbraw/zinc/11/40/03/239114003.db2.gz LGQREFSURNZVSJ-HOTGVXAUSA-N 1 2 331.441 2.283 20 30 EEEDLO Cn1cc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1C#N ZINC000191440018 239114010 /nfs/dbraw/zinc/11/40/10/239114010.db2.gz LGQREFSURNZVSJ-HOTGVXAUSA-N 1 2 331.441 2.283 20 30 EEEDLO C[C@@H](O)C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(F)F ZINC000451824708 243281248 /nfs/dbraw/zinc/28/12/48/243281248.db2.gz CJGLEVXWPHDABG-SNVBAGLBSA-N 1 2 345.777 2.488 20 30 EEEDLO C[C@@H](O)C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(F)F ZINC000451824708 243281252 /nfs/dbraw/zinc/28/12/52/243281252.db2.gz CJGLEVXWPHDABG-SNVBAGLBSA-N 1 2 345.777 2.488 20 30 EEEDLO C=CCC[C@@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C(=O)OCC ZINC000456609661 244301415 /nfs/dbraw/zinc/30/14/15/244301415.db2.gz OYHWLHRKURDVAZ-BZUAXINKSA-N 1 2 345.443 2.168 20 30 EEEDLO Cc1nc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)ccc1C#N ZINC000171916049 227361656 /nfs/dbraw/zinc/36/16/56/227361656.db2.gz QCWMWNFKGRIVDR-UHFFFAOYSA-N 1 2 336.395 2.346 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000494920250 247037581 /nfs/dbraw/zinc/03/75/81/247037581.db2.gz IXJBZAPHEUEDOL-OSDILXSKSA-N 1 2 349.500 2.299 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000494920250 247037587 /nfs/dbraw/zinc/03/75/87/247037587.db2.gz IXJBZAPHEUEDOL-OSDILXSKSA-N 1 2 349.500 2.299 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000266276753 248217534 /nfs/dbraw/zinc/21/75/34/248217534.db2.gz CSQWNRPKFDIBRA-IBGZPJMESA-N 1 2 346.471 2.029 20 30 EEEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000268575429 252035547 /nfs/dbraw/zinc/03/55/47/252035547.db2.gz BKWRFQVQCUNOPN-MRXNPFEDSA-N 1 2 341.436 2.111 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc3c(cc2OC)OCO3)n1 ZINC000491634448 533214931 /nfs/dbraw/zinc/21/49/31/533214931.db2.gz VBYJIWDJNLVEFK-UHFFFAOYSA-N 1 2 327.384 2.276 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc3c(cc2OC)OCO3)n1 ZINC000491634448 533214936 /nfs/dbraw/zinc/21/49/36/533214936.db2.gz VBYJIWDJNLVEFK-UHFFFAOYSA-N 1 2 327.384 2.276 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2sc(C(=O)OCC)c(C)c2c(N)n1 ZINC000491643245 533285964 /nfs/dbraw/zinc/28/59/64/533285964.db2.gz ZYHPZZLTCWETKN-VIFPVBQESA-N 1 2 332.429 2.212 20 30 EEEDLO C#C[C@H](C)[N@H+](C)Cc1nc2sc(C(=O)OCC)c(C)c2c(N)n1 ZINC000491643245 533285967 /nfs/dbraw/zinc/28/59/67/533285967.db2.gz ZYHPZZLTCWETKN-VIFPVBQESA-N 1 2 332.429 2.212 20 30 EEEDLO C[NH+](C)[C@@H](CNC(=O)c1ccc(C#N)cn1)c1c(F)cccc1F ZINC000115413912 292232725 /nfs/dbraw/zinc/23/27/25/292232725.db2.gz LCJOLZZVWZIOGV-HNNXBMFYSA-N 1 2 330.338 2.264 20 30 EEEDLO N#Cc1ccc(OC2C[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000158578750 159707873 /nfs/dbraw/zinc/70/78/73/159707873.db2.gz UEBQVLUKFAIUSM-SFHVURJKSA-N 1 2 339.351 2.263 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)CC(F)(F)F)CC2)c(F)c1 ZINC000189022547 160134370 /nfs/dbraw/zinc/13/43/70/160134370.db2.gz MOXOPYFVGXFRKV-GFCCVEGCSA-N 1 2 331.313 2.133 20 30 EEEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)n2)c1 ZINC000344156399 161203318 /nfs/dbraw/zinc/20/33/18/161203318.db2.gz ULYATDJUYISSIS-OAHLLOKOSA-N 1 2 346.394 2.024 20 30 EEEDLO CC[N@H+](CCCNS(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000344254816 161211689 /nfs/dbraw/zinc/21/16/89/161211689.db2.gz HOSHXPWCPXCKIE-UHFFFAOYSA-N 1 2 333.413 2.346 20 30 EEEDLO CC[N@@H+](CCCNS(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000344254816 161211690 /nfs/dbraw/zinc/21/16/90/161211690.db2.gz HOSHXPWCPXCKIE-UHFFFAOYSA-N 1 2 333.413 2.346 20 30 EEEDLO COC(=O)c1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c[nH]1 ZINC000355133815 163090922 /nfs/dbraw/zinc/09/09/22/163090922.db2.gz NBOXXGVTVBHWTR-KRWDZBQOSA-N 1 2 325.368 2.246 20 30 EEEDLO COC(=O)c1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c[nH]1 ZINC000355133815 163090924 /nfs/dbraw/zinc/09/09/24/163090924.db2.gz NBOXXGVTVBHWTR-KRWDZBQOSA-N 1 2 325.368 2.246 20 30 EEEDLO Cc1ccn2c(C[NH+]3CCN(c4cccc(C#N)n4)CC3)cnc2c1 ZINC000355447618 163193974 /nfs/dbraw/zinc/19/39/74/163193974.db2.gz UCLPDZHMPBVHQB-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO CCN1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000360727848 164369779 /nfs/dbraw/zinc/36/97/79/164369779.db2.gz ICDIGECAXYOXIK-RHSMWYFYSA-N 1 2 337.427 2.290 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC000971127117 676397248 /nfs/dbraw/zinc/39/72/48/676397248.db2.gz ZZMHHFAVUXKWBD-KBPBESRZSA-N 1 2 345.281 2.387 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC000971127117 676397249 /nfs/dbraw/zinc/39/72/49/676397249.db2.gz ZZMHHFAVUXKWBD-KBPBESRZSA-N 1 2 345.281 2.387 20 30 EEEDLO CCCNC(=O)C[N@H+](CCC)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000297736430 266056356 /nfs/dbraw/zinc/05/63/56/266056356.db2.gz CGICPNXFHFGSLZ-CQSZACIVSA-N 1 2 330.432 2.123 20 30 EEEDLO CCCNC(=O)C[N@@H+](CCC)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000297736430 266056358 /nfs/dbraw/zinc/05/63/58/266056358.db2.gz CGICPNXFHFGSLZ-CQSZACIVSA-N 1 2 330.432 2.123 20 30 EEEDLO CCOC(=O)Nc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1C#N ZINC000287561292 266264019 /nfs/dbraw/zinc/26/40/19/266264019.db2.gz FBUFLLDXSIUTOP-UHFFFAOYSA-N 1 2 327.344 2.421 20 30 EEEDLO CNC(=O)C1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000286670651 266610043 /nfs/dbraw/zinc/61/00/43/266610043.db2.gz ALCMOGIAHRYJDF-UHFFFAOYSA-N 1 2 336.233 2.279 20 30 EEEDLO CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000437403935 267069951 /nfs/dbraw/zinc/06/99/51/267069951.db2.gz AMMCIFPLHHYKJJ-ZDUSSCGKSA-N 1 2 344.383 2.169 20 30 EEEDLO CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000437403935 267069953 /nfs/dbraw/zinc/06/99/53/267069953.db2.gz AMMCIFPLHHYKJJ-ZDUSSCGKSA-N 1 2 344.383 2.169 20 30 EEEDLO Cc1[nH+]c[nH]c1CNC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000531013119 268082145 /nfs/dbraw/zinc/08/21/45/268082145.db2.gz PQNGNTDLZSTGII-UHFFFAOYSA-N 1 2 329.429 2.319 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000286529005 268204575 /nfs/dbraw/zinc/20/45/75/268204575.db2.gz GHWQWNOXJNUWMT-OAHLLOKOSA-N 1 2 345.424 2.094 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000286529005 268204577 /nfs/dbraw/zinc/20/45/77/268204577.db2.gz GHWQWNOXJNUWMT-OAHLLOKOSA-N 1 2 345.424 2.094 20 30 EEEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(O)(C(F)F)CC3)o2)c1 ZINC000331129939 268229079 /nfs/dbraw/zinc/22/90/79/268229079.db2.gz GFGPIOHAGHSPHQ-UHFFFAOYSA-N 1 2 334.326 2.200 20 30 EEEDLO CCCn1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000272672797 269006775 /nfs/dbraw/zinc/00/67/75/269006775.db2.gz ACBHRVAXVDZYOI-UHFFFAOYSA-N 1 2 337.427 2.123 20 30 EEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000280328398 269351797 /nfs/dbraw/zinc/35/17/97/269351797.db2.gz HLKDFDSGKCDUBD-SJKOYZFVSA-N 1 2 349.818 2.030 20 30 EEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@]2(CCOC2)O1 ZINC000280328398 269351798 /nfs/dbraw/zinc/35/17/98/269351798.db2.gz HLKDFDSGKCDUBD-SJKOYZFVSA-N 1 2 349.818 2.030 20 30 EEEDLO Cc1oc(C#N)cc1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000280618420 269379507 /nfs/dbraw/zinc/37/95/07/269379507.db2.gz RIHIWVTWAJELEI-GFCCVEGCSA-N 1 2 340.383 2.010 20 30 EEEDLO COc1cncc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000289130694 275100601 /nfs/dbraw/zinc/10/06/01/275100601.db2.gz DVGQUQYBIMHPCD-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000456764775 277838242 /nfs/dbraw/zinc/83/82/42/277838242.db2.gz FUFOSTBUOHNKDU-SJORKVTESA-N 1 2 334.485 2.220 20 30 EEEDLO Cc1nnc([C@H]2CCC[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)[nH]1 ZINC000537563207 318019263 /nfs/dbraw/zinc/01/92/63/318019263.db2.gz WAJPQNOJVJUIIO-HNNXBMFYSA-N 1 2 349.398 2.414 20 30 EEEDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)[nH]1 ZINC000537563207 318019265 /nfs/dbraw/zinc/01/92/65/318019265.db2.gz WAJPQNOJVJUIIO-HNNXBMFYSA-N 1 2 349.398 2.414 20 30 EEEDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)n1 ZINC000537563207 318019268 /nfs/dbraw/zinc/01/92/68/318019268.db2.gz WAJPQNOJVJUIIO-HNNXBMFYSA-N 1 2 349.398 2.414 20 30 EEEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)n1 ZINC000537563207 318019271 /nfs/dbraw/zinc/01/92/71/318019271.db2.gz WAJPQNOJVJUIIO-HNNXBMFYSA-N 1 2 349.398 2.414 20 30 EEEDLO Cc1nc([C@H]2CCC[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)n[nH]1 ZINC000537563207 318019274 /nfs/dbraw/zinc/01/92/74/318019274.db2.gz WAJPQNOJVJUIIO-HNNXBMFYSA-N 1 2 349.398 2.414 20 30 EEEDLO Cc1nc([C@H]2CCC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)n[nH]1 ZINC000537563207 318019277 /nfs/dbraw/zinc/01/92/77/318019277.db2.gz WAJPQNOJVJUIIO-HNNXBMFYSA-N 1 2 349.398 2.414 20 30 EEEDLO CCn1cc(C[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000539806837 318063234 /nfs/dbraw/zinc/06/32/34/318063234.db2.gz FGTPGIACXSJDFU-GOSISDBHSA-N 1 2 337.427 2.402 20 30 EEEDLO CCn1cc(C[N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000539806837 318063238 /nfs/dbraw/zinc/06/32/38/318063238.db2.gz FGTPGIACXSJDFU-GOSISDBHSA-N 1 2 337.427 2.402 20 30 EEEDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)c2[nH+]ccn21 ZINC000581707877 324305471 /nfs/dbraw/zinc/30/54/71/324305471.db2.gz FXSJKDSILIZIJT-BXKDBHETSA-N 1 2 336.804 2.392 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H](N(C)c2[nH+]cnc3c2cnn3C)C1 ZINC001098705123 782103124 /nfs/dbraw/zinc/10/31/24/782103124.db2.gz TZJCYQNXCGGTQV-CQSZACIVSA-N 1 2 342.447 2.147 20 30 EEEDLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c(C)c1 ZINC000328675867 465097583 /nfs/dbraw/zinc/09/75/83/465097583.db2.gz KYQDKJOOFIAOLL-KFWWJZLASA-N 1 2 347.415 2.294 20 30 EEEDLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+]2C[C@@H]3COC[C@H](C2)O3)c(C)c1 ZINC000328675867 465097588 /nfs/dbraw/zinc/09/75/88/465097588.db2.gz KYQDKJOOFIAOLL-KFWWJZLASA-N 1 2 347.415 2.294 20 30 EEEDLO CC[C@H]1C[N@H+](CCNC(=O)CSCc2ccc(C#N)cc2)CCO1 ZINC000347621505 465127578 /nfs/dbraw/zinc/12/75/78/465127578.db2.gz KDAJAKFMXRHDEC-KRWDZBQOSA-N 1 2 347.484 2.018 20 30 EEEDLO CC[C@H]1C[N@@H+](CCNC(=O)CSCc2ccc(C#N)cc2)CCO1 ZINC000347621505 465127585 /nfs/dbraw/zinc/12/75/85/465127585.db2.gz KDAJAKFMXRHDEC-KRWDZBQOSA-N 1 2 347.484 2.018 20 30 EEEDLO O=C(NCC[NH+]1CCOCC1)N1CCC(OC2CCCCC2)CC1 ZINC000328797550 465131733 /nfs/dbraw/zinc/13/17/33/465131733.db2.gz VXMGRTLLKXWQPX-UHFFFAOYSA-N 1 2 339.480 2.046 20 30 EEEDLO C=CCOc1cccnc1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000341415627 465154566 /nfs/dbraw/zinc/15/45/66/465154566.db2.gz DJOWTAIEADCWGA-MRXNPFEDSA-N 1 2 347.459 2.123 20 30 EEEDLO C[C@H]1CN(C(=O)Nc2scnc2C2CC2)C[C@H]1[NH+]1CCOCC1 ZINC000328938410 465175419 /nfs/dbraw/zinc/17/54/19/465175419.db2.gz RNGUUDJRHSXHDN-WCQYABFASA-N 1 2 336.461 2.219 20 30 EEEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3COCCN3C)n2)C1 ZINC000329000315 465199123 /nfs/dbraw/zinc/19/91/23/465199123.db2.gz VPGYPWMDFATGKU-OCCSQVGLSA-N 1 2 338.477 2.294 20 30 EEEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3COCCN3C)n2)C1 ZINC000329000315 465199130 /nfs/dbraw/zinc/19/91/30/465199130.db2.gz VPGYPWMDFATGKU-OCCSQVGLSA-N 1 2 338.477 2.294 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2C)C1=O ZINC000337233167 465257916 /nfs/dbraw/zinc/25/79/16/465257916.db2.gz WFLYTZLQOBZFPB-HNNXBMFYSA-N 1 2 335.835 2.306 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2C)C1=O ZINC000337233167 465257920 /nfs/dbraw/zinc/25/79/20/465257920.db2.gz WFLYTZLQOBZFPB-HNNXBMFYSA-N 1 2 335.835 2.306 20 30 EEEDLO C=CCN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000297704738 465267102 /nfs/dbraw/zinc/26/71/02/465267102.db2.gz FRUMMSVAUOSANO-UHFFFAOYSA-N 1 2 349.862 2.019 20 30 EEEDLO C=CCN(C)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000297704738 465267108 /nfs/dbraw/zinc/26/71/08/465267108.db2.gz FRUMMSVAUOSANO-UHFFFAOYSA-N 1 2 349.862 2.019 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@@H]1CCCC[C@H]1O)C2 ZINC000329243235 465278350 /nfs/dbraw/zinc/27/83/50/465278350.db2.gz SSUJIKACKZXOPS-BFHYXJOUSA-N 1 2 334.464 2.303 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@@H]1CCCC[C@H]1O)C2 ZINC000329243235 465278357 /nfs/dbraw/zinc/27/83/57/465278357.db2.gz SSUJIKACKZXOPS-BFHYXJOUSA-N 1 2 334.464 2.303 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000339443543 465278630 /nfs/dbraw/zinc/27/86/30/465278630.db2.gz WJMYFUPYIWGJDE-SMDDNHRTSA-N 1 2 335.370 2.179 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000339443543 465278635 /nfs/dbraw/zinc/27/86/35/465278635.db2.gz WJMYFUPYIWGJDE-SMDDNHRTSA-N 1 2 335.370 2.179 20 30 EEEDLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000329276076 465286423 /nfs/dbraw/zinc/28/64/23/465286423.db2.gz KEZPUEURTHLAHX-RWHKXBQASA-N 1 2 330.432 2.030 20 30 EEEDLO O=C(CN1CCn2cc[nH+]c2C1)Nc1ccc(N2CCCCC2)nc1 ZINC000329322712 465298158 /nfs/dbraw/zinc/29/81/58/465298158.db2.gz JPGDCKNJKYDTGN-UHFFFAOYSA-N 1 2 340.431 2.372 20 30 EEEDLO O=C(N[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000329351689 465309748 /nfs/dbraw/zinc/30/97/48/465309748.db2.gz UHYLWAXIUXJHBW-HOTGVXAUSA-N 1 2 336.457 2.185 20 30 EEEDLO O=C(N[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000329351689 465309751 /nfs/dbraw/zinc/30/97/51/465309751.db2.gz UHYLWAXIUXJHBW-HOTGVXAUSA-N 1 2 336.457 2.185 20 30 EEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC(O)(C(F)(F)F)CC1 ZINC000329370169 465313607 /nfs/dbraw/zinc/31/36/07/465313607.db2.gz JRFRVDCOXCXGGG-NSHDSACASA-N 1 2 346.353 2.064 20 30 EEEDLO N#Cc1cccc(OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000044911642 462539837 /nfs/dbraw/zinc/53/98/37/462539837.db2.gz BJUDHYPFYFRLMB-UHFFFAOYSA-N 1 2 341.436 2.343 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccccc1Cl ZINC000074394426 462594373 /nfs/dbraw/zinc/59/43/73/462594373.db2.gz OTGODAHZUFJVBQ-UHFFFAOYSA-N 1 2 336.823 2.420 20 30 EEEDLO N#Cc1c(NC(=O)C[N@H+]2CCC[C@@H]2CO)sc2c1CCCCC2 ZINC000063512703 462650929 /nfs/dbraw/zinc/65/09/29/462650929.db2.gz JRMMTTACHWLZKH-GFCCVEGCSA-N 1 2 333.457 2.284 20 30 EEEDLO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@@H]2CO)sc2c1CCCCC2 ZINC000063512703 462650933 /nfs/dbraw/zinc/65/09/33/462650933.db2.gz JRMMTTACHWLZKH-GFCCVEGCSA-N 1 2 333.457 2.284 20 30 EEEDLO CO[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000074931228 462655834 /nfs/dbraw/zinc/65/58/34/462655834.db2.gz YDFBSYOOPQCYRF-GOSISDBHSA-N 1 2 344.459 2.056 20 30 EEEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000076119129 462810628 /nfs/dbraw/zinc/81/06/28/462810628.db2.gz PDFHYPBWCDCEAO-AZUAARDMSA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000076119129 462810631 /nfs/dbraw/zinc/81/06/31/462810631.db2.gz PDFHYPBWCDCEAO-AZUAARDMSA-N 1 2 338.407 2.371 20 30 EEEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000066469652 462893173 /nfs/dbraw/zinc/89/31/73/462893173.db2.gz WCAWSUZOKUQINS-AAEUAGOBSA-N 1 2 327.222 2.280 20 30 EEEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000066469652 462893178 /nfs/dbraw/zinc/89/31/78/462893178.db2.gz WCAWSUZOKUQINS-AAEUAGOBSA-N 1 2 327.222 2.280 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(OCc2cscn2)c1 ZINC000568399434 468332018 /nfs/dbraw/zinc/33/20/18/468332018.db2.gz NWPONBXDYLETEH-QGZVFWFLSA-N 1 2 344.440 2.296 20 30 EEEDLO N#Cc1c(F)cccc1N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000052719795 463101123 /nfs/dbraw/zinc/10/11/23/463101123.db2.gz RTJYTXVIRHBPHY-UHFFFAOYSA-N 1 2 344.434 2.222 20 30 EEEDLO Cc1cnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1 ZINC000078625772 463134812 /nfs/dbraw/zinc/13/48/12/463134812.db2.gz FGNQCMDZBNRABB-UHFFFAOYSA-N 1 2 337.383 2.492 20 30 EEEDLO CC[C@H](C)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(=O)OC(C)(C)C ZINC000136346008 463236670 /nfs/dbraw/zinc/23/66/70/463236670.db2.gz CAOXILSSSDSMPL-UGSOOPFHSA-N 1 2 337.464 2.237 20 30 EEEDLO CC[C@H](C)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(=O)OC(C)(C)C ZINC000136346008 463236674 /nfs/dbraw/zinc/23/66/74/463236674.db2.gz CAOXILSSSDSMPL-UGSOOPFHSA-N 1 2 337.464 2.237 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)c1 ZINC000029447729 463257520 /nfs/dbraw/zinc/25/75/20/463257520.db2.gz YKMWUHIEQMMLNP-UHFFFAOYSA-N 1 2 344.422 2.461 20 30 EEEDLO O=C(C#Cc1ccccc1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000080500004 463326148 /nfs/dbraw/zinc/32/61/48/463326148.db2.gz DBHMCWUYSQWQGI-FQEVSTJZSA-N 1 2 334.419 2.055 20 30 EEEDLO O=C(C#Cc1ccccc1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000080500004 463326153 /nfs/dbraw/zinc/32/61/53/463326153.db2.gz DBHMCWUYSQWQGI-FQEVSTJZSA-N 1 2 334.419 2.055 20 30 EEEDLO N#CCOc1ccc(/C=C/C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161382624 463426780 /nfs/dbraw/zinc/42/67/80/463426780.db2.gz QJGOHHHLYWARSX-RCMYXZNBSA-N 1 2 348.406 2.392 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCC(=O)OC(C)(C)C ZINC000150860375 463442494 /nfs/dbraw/zinc/44/24/94/463442494.db2.gz JBHWVPAHECGHBZ-INIZCTEOSA-N 1 2 332.400 2.436 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000150860375 463442499 /nfs/dbraw/zinc/44/24/99/463442499.db2.gz JBHWVPAHECGHBZ-INIZCTEOSA-N 1 2 332.400 2.436 20 30 EEEDLO Cc1nnc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)c(C#N)c1C ZINC000084057849 463574433 /nfs/dbraw/zinc/57/44/33/463574433.db2.gz GPWGAYQTTLADPI-RBUKOAKNSA-N 1 2 349.438 2.055 20 30 EEEDLO Cc1nnc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)c(C#N)c1C ZINC000084057849 463574437 /nfs/dbraw/zinc/57/44/37/463574437.db2.gz GPWGAYQTTLADPI-RBUKOAKNSA-N 1 2 349.438 2.055 20 30 EEEDLO C=CCOc1ccc(/C=C\C(=O)NCCc2[nH]cc[nH+]2)cc1OC ZINC000255756611 463746349 /nfs/dbraw/zinc/74/63/49/463746349.db2.gz RBNZTMJEYASBLB-ALCCZGGFSA-N 1 2 327.384 2.355 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C\Sc1ccccc1 ZINC000255794795 463747507 /nfs/dbraw/zinc/74/75/07/463747507.db2.gz PNFIXOFGISOMNH-APSNUPSMSA-N 1 2 345.468 2.367 20 30 EEEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)c(OC)co1 ZINC000268513114 463774876 /nfs/dbraw/zinc/77/48/76/463774876.db2.gz CSZYXCFNSGSTML-UHFFFAOYSA-N 1 2 328.368 2.169 20 30 EEEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)c(OC)co1 ZINC000268513114 463774884 /nfs/dbraw/zinc/77/48/84/463774884.db2.gz CSZYXCFNSGSTML-UHFFFAOYSA-N 1 2 328.368 2.169 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000268608993 463785895 /nfs/dbraw/zinc/78/58/95/463785895.db2.gz KJBRAFSVYZPVIX-NRFANRHFSA-N 1 2 346.434 2.281 20 30 EEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171223464 463817939 /nfs/dbraw/zinc/81/79/39/463817939.db2.gz WNIBGIFQNNPIND-UHFFFAOYSA-N 1 2 347.434 2.081 20 30 EEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171223464 463817943 /nfs/dbraw/zinc/81/79/43/463817943.db2.gz WNIBGIFQNNPIND-UHFFFAOYSA-N 1 2 347.434 2.081 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000177993778 463826273 /nfs/dbraw/zinc/82/62/73/463826273.db2.gz QWOKTIGXOVVOJM-CXAGYDPISA-N 1 2 333.457 2.334 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@](C)(O)C1 ZINC000177993778 463826277 /nfs/dbraw/zinc/82/62/77/463826277.db2.gz QWOKTIGXOVVOJM-CXAGYDPISA-N 1 2 333.457 2.334 20 30 EEEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000178399738 463893658 /nfs/dbraw/zinc/89/36/58/463893658.db2.gz HPMHFKDAQQXUFW-UHFFFAOYSA-N 1 2 331.397 2.103 20 30 EEEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000590959242 468383701 /nfs/dbraw/zinc/38/37/01/468383701.db2.gz NOZAFEJCJFQGPT-VBQJREDUSA-N 1 2 340.427 2.422 20 30 EEEDLO NC(COc1cc(F)cc(F)c1)=[NH+]OCCO[C@@H]1CCCCO1 ZINC000194722778 463916249 /nfs/dbraw/zinc/91/62/49/463916249.db2.gz YBWSYLGZVNGSQO-OAHLLOKOSA-N 1 2 330.331 2.176 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000278857657 464001222 /nfs/dbraw/zinc/00/12/22/464001222.db2.gz TZONSPUWRICWLS-IEBWSBKVSA-N 1 2 344.455 2.321 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc3c(c(OC)c2)OCO3)n1 ZINC000279329094 464088661 /nfs/dbraw/zinc/08/86/61/464088661.db2.gz CPIBCJWQOYWFDJ-UHFFFAOYSA-N 1 2 327.384 2.276 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc3c(c(OC)c2)OCO3)n1 ZINC000279329094 464088665 /nfs/dbraw/zinc/08/86/65/464088665.db2.gz CPIBCJWQOYWFDJ-UHFFFAOYSA-N 1 2 327.384 2.276 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccccc2N2CCOCC2)n1 ZINC000279429393 464105852 /nfs/dbraw/zinc/10/58/52/464105852.db2.gz QAPTWEZTGPOSPE-UHFFFAOYSA-N 1 2 338.455 2.375 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccccc2N2CCOCC2)n1 ZINC000279429393 464105857 /nfs/dbraw/zinc/10/58/57/464105857.db2.gz QAPTWEZTGPOSPE-UHFFFAOYSA-N 1 2 338.455 2.375 20 30 EEEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CCc2ccccc21 ZINC000290152731 464109256 /nfs/dbraw/zinc/10/92/56/464109256.db2.gz CSRCGMLRJAGCSN-KRWDZBQOSA-N 1 2 341.436 2.346 20 30 EEEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CCc2ccccc21 ZINC000290152731 464109258 /nfs/dbraw/zinc/10/92/58/464109258.db2.gz CSRCGMLRJAGCSN-KRWDZBQOSA-N 1 2 341.436 2.346 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187267353 464112044 /nfs/dbraw/zinc/11/20/44/464112044.db2.gz ZTOZARVSKLNNKL-INIZCTEOSA-N 1 2 337.370 2.100 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187267353 464112050 /nfs/dbraw/zinc/11/20/50/464112050.db2.gz ZTOZARVSKLNNKL-INIZCTEOSA-N 1 2 337.370 2.100 20 30 EEEDLO NC(=[NH+]OCC(=O)NC1CCCCCC1)c1ccc2c(c1)CCO2 ZINC000269859550 464113733 /nfs/dbraw/zinc/11/37/33/464113733.db2.gz IOKCKVSELHASFE-UHFFFAOYSA-N 1 2 331.416 2.097 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263773047 464184776 /nfs/dbraw/zinc/18/47/76/464184776.db2.gz XABMIXHHGQZUSE-IEBWSBKVSA-N 1 2 329.444 2.287 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263773047 464184784 /nfs/dbraw/zinc/18/47/84/464184784.db2.gz XABMIXHHGQZUSE-IEBWSBKVSA-N 1 2 329.444 2.287 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000173135330 464196040 /nfs/dbraw/zinc/19/60/40/464196040.db2.gz FVPNUFNQUHLJOR-SFHVURJKSA-N 1 2 332.444 2.159 20 30 EEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCC(=O)Nc1ccc(F)cc1F ZINC000174227114 464380724 /nfs/dbraw/zinc/38/07/24/464380724.db2.gz RXMLKVXKMSSGKF-SNVBAGLBSA-N 1 2 329.347 2.253 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000293186891 464391642 /nfs/dbraw/zinc/39/16/42/464391642.db2.gz PXUVLVOODKGKLR-MRXNPFEDSA-N 1 2 328.412 2.076 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000293186891 464391647 /nfs/dbraw/zinc/39/16/47/464391647.db2.gz PXUVLVOODKGKLR-MRXNPFEDSA-N 1 2 328.412 2.076 20 30 EEEDLO CC#CC[N@@H+](C)Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000293226559 464395170 /nfs/dbraw/zinc/39/51/70/464395170.db2.gz RXQVBTJFXKPLFB-UHFFFAOYSA-N 1 2 331.372 2.218 20 30 EEEDLO CC#CC[N@H+](C)Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000293226559 464395174 /nfs/dbraw/zinc/39/51/74/464395174.db2.gz RXQVBTJFXKPLFB-UHFFFAOYSA-N 1 2 331.372 2.218 20 30 EEEDLO CCc1nocc1C[N@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000293341365 464401924 /nfs/dbraw/zinc/40/19/24/464401924.db2.gz HDCJAOXGQYGTRW-AWEZNQCLSA-N 1 2 330.413 2.407 20 30 EEEDLO CCc1nocc1C[N@@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000293341365 464401926 /nfs/dbraw/zinc/40/19/26/464401926.db2.gz HDCJAOXGQYGTRW-AWEZNQCLSA-N 1 2 330.413 2.407 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)C1=O ZINC000281301513 464406566 /nfs/dbraw/zinc/40/65/66/464406566.db2.gz JXJJCCZTYSJPLR-YJBOKZPZSA-N 1 2 341.455 2.073 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)C1=O ZINC000281301513 464406570 /nfs/dbraw/zinc/40/65/70/464406570.db2.gz JXJJCCZTYSJPLR-YJBOKZPZSA-N 1 2 341.455 2.073 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000294252555 464445911 /nfs/dbraw/zinc/44/59/11/464445911.db2.gz CWYMMASHOSWFKX-SWLSCSKDSA-N 1 2 331.803 2.317 20 30 EEEDLO Cc1cc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nn1CCC#N ZINC000272070133 464466852 /nfs/dbraw/zinc/46/68/52/464466852.db2.gz KGOOCTPPWNIQHN-DZGCQCFKSA-N 1 2 341.419 2.417 20 30 EEEDLO C#CC[N@@H+](CN1C[C@@](C)(COC)CC1=O)[C@H]1CCc2ccccc21 ZINC000245423130 464479964 /nfs/dbraw/zinc/47/99/64/464479964.db2.gz QOXLJOFRDWFZLS-ICSRJNTNSA-N 1 2 326.440 2.452 20 30 EEEDLO C#CC[N@H+](CN1C[C@@](C)(COC)CC1=O)[C@H]1CCc2ccccc21 ZINC000245423130 464479965 /nfs/dbraw/zinc/47/99/65/464479965.db2.gz QOXLJOFRDWFZLS-ICSRJNTNSA-N 1 2 326.440 2.452 20 30 EEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCCOc1ccccc1C(F)(F)F ZINC000181641256 464516006 /nfs/dbraw/zinc/51/60/06/464516006.db2.gz KEPIJPCSJFPSTC-UHFFFAOYSA-N 1 2 347.337 2.288 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545932308 468406180 /nfs/dbraw/zinc/40/61/80/468406180.db2.gz ZHONWZXQIPDCTE-SWLSCSKDSA-N 1 2 349.397 2.020 20 30 EEEDLO C[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000245940156 464528332 /nfs/dbraw/zinc/52/83/32/464528332.db2.gz MEGRPNBTBFPVLF-XYJFISCASA-N 1 2 344.459 2.440 20 30 EEEDLO COc1ccc(F)c(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000294843031 464622964 /nfs/dbraw/zinc/62/29/64/464622964.db2.gz IDWJGPFGVOBFSF-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](Cc2ccccc2OC)C[C@@H]2CCCO2)C1=O ZINC000281985380 464658282 /nfs/dbraw/zinc/65/82/82/464658282.db2.gz MIVYJOHHQTYJFX-ROUUACIJSA-N 1 2 344.455 2.463 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](Cc2ccccc2OC)C[C@@H]2CCCO2)C1=O ZINC000281985380 464658285 /nfs/dbraw/zinc/65/82/85/464658285.db2.gz MIVYJOHHQTYJFX-ROUUACIJSA-N 1 2 344.455 2.463 20 30 EEEDLO CC(C)N1CCC[C@@H]([NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1=O ZINC000176151754 464708759 /nfs/dbraw/zinc/70/87/59/464708759.db2.gz CFLHFLXBRHDOMS-RTBURBONSA-N 1 2 340.471 2.268 20 30 EEEDLO C#CC[NH+]1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000285985767 464765078 /nfs/dbraw/zinc/76/50/78/464765078.db2.gz CJAXIKQGBFCWBT-UHFFFAOYSA-N 1 2 330.313 2.279 20 30 EEEDLO CO/N=C(/C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F)c1ccco1 ZINC000266269935 464770521 /nfs/dbraw/zinc/77/05/21/464770521.db2.gz ZIOWKJPXCGDBEZ-XDHOZWIPSA-N 1 2 344.293 2.048 20 30 EEEDLO N#CC1CCC(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000282319633 464775862 /nfs/dbraw/zinc/77/58/62/464775862.db2.gz SFZAFNXNRLCHKN-UHFFFAOYSA-N 1 2 341.459 2.239 20 30 EEEDLO C#CCCOc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000295317331 464786100 /nfs/dbraw/zinc/78/61/00/464786100.db2.gz PJDXPNQCLGYOGK-FUHWJXTLSA-N 1 2 342.439 2.024 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cnn(CC(F)F)c2)c1 ZINC000295361215 464803842 /nfs/dbraw/zinc/80/38/42/464803842.db2.gz NULNOKCXQQMBRK-UHFFFAOYSA-N 1 2 332.354 2.200 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cnn(CC(F)F)c2)c1 ZINC000295361215 464803849 /nfs/dbraw/zinc/80/38/49/464803849.db2.gz NULNOKCXQQMBRK-UHFFFAOYSA-N 1 2 332.354 2.200 20 30 EEEDLO Cc1nsc(N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)n1 ZINC000266879825 464856781 /nfs/dbraw/zinc/85/67/81/464856781.db2.gz WFNFIQTZJHTALH-UHFFFAOYSA-N 1 2 329.429 2.071 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](CO)C1 ZINC000249352995 464865389 /nfs/dbraw/zinc/86/53/89/464865389.db2.gz XLUZNIXGODSEIV-NWDGAFQWSA-N 1 2 333.457 2.140 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](CO)C1 ZINC000249352995 464865393 /nfs/dbraw/zinc/86/53/93/464865393.db2.gz XLUZNIXGODSEIV-NWDGAFQWSA-N 1 2 333.457 2.140 20 30 EEEDLO Cc1noc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000249710069 464905345 /nfs/dbraw/zinc/90/53/45/464905345.db2.gz UMCDXDBQTUXTMR-IUODEOHRSA-N 1 2 339.399 2.456 20 30 EEEDLO Cc1noc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000249710069 464905352 /nfs/dbraw/zinc/90/53/52/464905352.db2.gz UMCDXDBQTUXTMR-IUODEOHRSA-N 1 2 339.399 2.456 20 30 EEEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000267030648 464910470 /nfs/dbraw/zinc/91/04/70/464910470.db2.gz AYVAKTJOOAPBDC-CQSZACIVSA-N 1 2 333.432 2.286 20 30 EEEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000267030648 464910474 /nfs/dbraw/zinc/91/04/74/464910474.db2.gz AYVAKTJOOAPBDC-CQSZACIVSA-N 1 2 333.432 2.286 20 30 EEEDLO C=CCOc1cccc(C[NH+]2CCN(CC(=O)N[C@@H](C)CC)CC2)c1 ZINC000192584552 464951066 /nfs/dbraw/zinc/95/10/66/464951066.db2.gz WJTNLJZAGFTGOV-KRWDZBQOSA-N 1 2 345.487 2.284 20 30 EEEDLO CN(C(=O)C[N@@H+]1CCc2ccccc2[C@H]1CO)C1(C#N)CCCCC1 ZINC000268152444 464952592 /nfs/dbraw/zinc/95/25/92/464952592.db2.gz RMRBPRBEMHPXCK-GOSISDBHSA-N 1 2 341.455 2.263 20 30 EEEDLO CN(C(=O)C[N@H+]1CCc2ccccc2[C@H]1CO)C1(C#N)CCCCC1 ZINC000268152444 464952594 /nfs/dbraw/zinc/95/25/94/464952594.db2.gz RMRBPRBEMHPXCK-GOSISDBHSA-N 1 2 341.455 2.263 20 30 EEEDLO COC(=O)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000184256052 464956838 /nfs/dbraw/zinc/95/68/38/464956838.db2.gz OFLPBXADRLCOLG-UHFFFAOYSA-N 1 2 349.456 2.322 20 30 EEEDLO COC(=O)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000184256052 464956843 /nfs/dbraw/zinc/95/68/43/464956843.db2.gz OFLPBXADRLCOLG-UHFFFAOYSA-N 1 2 349.456 2.322 20 30 EEEDLO C=CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000295876362 464993646 /nfs/dbraw/zinc/99/36/46/464993646.db2.gz GRHIPZDWHUSIHZ-OAHLLOKOSA-N 1 2 340.431 2.037 20 30 EEEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)[nH]1 ZINC000329492700 465352101 /nfs/dbraw/zinc/35/21/01/465352101.db2.gz WFZZSUJPKFLXAO-CQSZACIVSA-N 1 2 330.436 2.476 20 30 EEEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)[nH]1 ZINC000329492700 465352106 /nfs/dbraw/zinc/35/21/06/465352106.db2.gz WFZZSUJPKFLXAO-CQSZACIVSA-N 1 2 330.436 2.476 20 30 EEEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000329492700 465352109 /nfs/dbraw/zinc/35/21/09/465352109.db2.gz WFZZSUJPKFLXAO-CQSZACIVSA-N 1 2 330.436 2.476 20 30 EEEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000329492700 465352113 /nfs/dbraw/zinc/35/21/13/465352113.db2.gz WFZZSUJPKFLXAO-CQSZACIVSA-N 1 2 330.436 2.476 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548317370 468433141 /nfs/dbraw/zinc/43/31/41/468433141.db2.gz AJCVIUVOKPNRLB-ZDUSSCGKSA-N 1 2 327.384 2.201 20 30 EEEDLO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2nc3cccnc3[nH]2)CC1 ZINC000329810354 465440616 /nfs/dbraw/zinc/44/06/16/465440616.db2.gz CIKYUMFOTLZRPQ-UHFFFAOYSA-N 1 2 339.403 2.192 20 30 EEEDLO C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C[C@H](C2CC2)O1 ZINC000329954544 465486990 /nfs/dbraw/zinc/48/69/90/465486990.db2.gz NVEKKRZUUZKGQA-DDUZABMNSA-N 1 2 346.427 2.282 20 30 EEEDLO C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C[C@H](C2CC2)O1 ZINC000329954544 465486995 /nfs/dbraw/zinc/48/69/95/465486995.db2.gz NVEKKRZUUZKGQA-DDUZABMNSA-N 1 2 346.427 2.282 20 30 EEEDLO O=C(Nc1ccc(Cl)cn1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000330101604 465533502 /nfs/dbraw/zinc/53/35/02/465533502.db2.gz FIKJLEYAZLXOGX-CQSZACIVSA-N 1 2 338.839 2.467 20 30 EEEDLO N#CC1(F)CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000343738903 465549005 /nfs/dbraw/zinc/54/90/05/465549005.db2.gz MVCUROAEOVBHGW-UHFFFAOYSA-N 1 2 341.390 2.469 20 30 EEEDLO N#CCCn1cc(C(=O)C[N@H+]2CCSC[C@H]2CO)c2ccccc21 ZINC000343759769 465550708 /nfs/dbraw/zinc/55/07/08/465550708.db2.gz IMXWFEUJVZKVRV-CQSZACIVSA-N 1 2 343.452 2.147 20 30 EEEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCSC[C@H]2CO)c2ccccc21 ZINC000343759769 465550710 /nfs/dbraw/zinc/55/07/10/465550710.db2.gz IMXWFEUJVZKVRV-CQSZACIVSA-N 1 2 343.452 2.147 20 30 EEEDLO CC[C@H](C(=O)OC)N1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000352722919 465552361 /nfs/dbraw/zinc/55/23/61/465552361.db2.gz CKPWRVGIJRCJNT-QGZVFWFLSA-N 1 2 334.847 2.261 20 30 EEEDLO CC(C)c1nnc(CN2CC[NH+](CC(=O)NC3CCCCC3)CC2)[nH]1 ZINC000330321861 465612371 /nfs/dbraw/zinc/61/23/71/465612371.db2.gz SGRSCFNXTIRHAX-UHFFFAOYSA-N 1 2 348.495 2.335 20 30 EEEDLO CC[C@@H](C)n1nc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1C ZINC000330688857 465764049 /nfs/dbraw/zinc/76/40/49/465764049.db2.gz OSCVNUQAZLVWOA-CYBMUJFWSA-N 1 2 337.468 2.599 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000366677483 465871548 /nfs/dbraw/zinc/87/15/48/465871548.db2.gz ISBAYNAMBINODS-PBHICJAKSA-N 1 2 332.448 2.342 20 30 EEEDLO CCC(=O)c1cccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1 ZINC000331161962 465961751 /nfs/dbraw/zinc/96/17/51/465961751.db2.gz GHMONQQKVVNVHF-ZIAGYGMSSA-N 1 2 333.432 2.212 20 30 EEEDLO CCC(=O)c1cccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1 ZINC000331161962 465961758 /nfs/dbraw/zinc/96/17/58/465961758.db2.gz GHMONQQKVVNVHF-ZIAGYGMSSA-N 1 2 333.432 2.212 20 30 EEEDLO Cc1oc(C(=O)Nc2c(C)cc[nH+]c2C)cc1S(=O)(=O)N(C)C ZINC000331249694 465998303 /nfs/dbraw/zinc/99/83/03/465998303.db2.gz YOSCVJVNYMTJNU-UHFFFAOYSA-N 1 2 337.401 2.486 20 30 EEEDLO N#Cc1sccc1N1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000597184418 468474286 /nfs/dbraw/zinc/47/42/86/468474286.db2.gz WDEIQTXESHVFQX-UHFFFAOYSA-N 1 2 332.454 2.102 20 30 EEEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccn(C(F)F)n3)C2=O)cc1 ZINC000362985933 466161790 /nfs/dbraw/zinc/16/17/90/466161790.db2.gz HDMOEKHDJSPXES-OAHLLOKOSA-N 1 2 345.353 2.041 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2cncnc2C1 ZINC000357733701 466215414 /nfs/dbraw/zinc/21/54/14/466215414.db2.gz NTFJOZVZGQNUEE-KRWDZBQOSA-N 1 2 325.412 2.003 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCc2cncnc2C1 ZINC000357733701 466215425 /nfs/dbraw/zinc/21/54/25/466215425.db2.gz NTFJOZVZGQNUEE-KRWDZBQOSA-N 1 2 325.412 2.003 20 30 EEEDLO C=CCNC(=O)C[N@@H+](CCOC)Cc1cc(Br)cs1 ZINC000357773666 466219381 /nfs/dbraw/zinc/21/93/81/466219381.db2.gz VEAJDHOQCQQDNY-UHFFFAOYSA-N 1 2 347.278 2.261 20 30 EEEDLO C=CCNC(=O)C[N@H+](CCOC)Cc1cc(Br)cs1 ZINC000357773666 466219391 /nfs/dbraw/zinc/21/93/91/466219391.db2.gz VEAJDHOQCQQDNY-UHFFFAOYSA-N 1 2 347.278 2.261 20 30 EEEDLO N#CCCCOc1cccc(C[NH+]2CCN([C@@H]3CCOC3)CC2)c1 ZINC000597202759 468479278 /nfs/dbraw/zinc/47/92/78/468479278.db2.gz JAKCHMYBXFPTKA-GOSISDBHSA-N 1 2 329.444 2.276 20 30 EEEDLO C=CCN(C(=O)[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000346989385 466300309 /nfs/dbraw/zinc/30/03/09/466300309.db2.gz WVIDQAFBOXWCTM-MAUKXSAKSA-N 1 2 342.443 2.039 20 30 EEEDLO C=C(C)Cn1c(CCCC)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000338805275 466391151 /nfs/dbraw/zinc/39/11/51/466391151.db2.gz LTISEKKUHQRDHQ-MRXNPFEDSA-N 1 2 333.480 2.108 20 30 EEEDLO COCC1(C#N)CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000347318399 466560816 /nfs/dbraw/zinc/56/08/16/466560816.db2.gz FGRRUZVPQRTVEH-UHFFFAOYSA-N 1 2 338.411 2.324 20 30 EEEDLO N#C[C@@H](C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccncn1 ZINC000354480469 466597086 /nfs/dbraw/zinc/59/70/86/466597086.db2.gz XBKPZNLMXCTYPF-GFCCVEGCSA-N 1 2 334.295 2.061 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000368909909 466705574 /nfs/dbraw/zinc/70/55/74/466705574.db2.gz KAKIXVXOYYGMLF-MRXNPFEDSA-N 1 2 347.459 2.241 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000368909909 466705579 /nfs/dbraw/zinc/70/55/79/466705579.db2.gz KAKIXVXOYYGMLF-MRXNPFEDSA-N 1 2 347.459 2.241 20 30 EEEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000662250383 472042797 /nfs/dbraw/zinc/04/27/97/472042797.db2.gz AELHYONGHLNKBC-OAHLLOKOSA-N 1 2 330.428 2.264 20 30 EEEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(C#N)s2)C1 ZINC000373824174 466932926 /nfs/dbraw/zinc/93/29/26/466932926.db2.gz PSZCZXICJZXIOW-AWEZNQCLSA-N 1 2 333.438 2.085 20 30 EEEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(C#N)s2)C1 ZINC000373824174 466932931 /nfs/dbraw/zinc/93/29/31/466932931.db2.gz PSZCZXICJZXIOW-AWEZNQCLSA-N 1 2 333.438 2.085 20 30 EEEDLO N#Cc1cccc(CCNC(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000373940287 466976386 /nfs/dbraw/zinc/97/63/86/466976386.db2.gz UTRKEGSGZUSRKM-UHFFFAOYSA-N 1 2 337.427 2.175 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000425481799 467097618 /nfs/dbraw/zinc/09/76/18/467097618.db2.gz GHWMQHUQUGIPQJ-RYUDHWBXSA-N 1 2 339.461 2.393 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1cc(C#N)ccc1C)CCC2 ZINC000378254081 467243871 /nfs/dbraw/zinc/24/38/71/467243871.db2.gz RZBCPNGNJPHIMU-HNNXBMFYSA-N 1 2 344.440 2.228 20 30 EEEDLO COc1ccc(CNC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N)cc1OC ZINC000433289318 467314900 /nfs/dbraw/zinc/31/49/00/467314900.db2.gz PKAWCEPXEVPWNE-ZDUSSCGKSA-N 1 2 333.432 2.190 20 30 EEEDLO COc1ccc(CNC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N)cc1OC ZINC000433289318 467314902 /nfs/dbraw/zinc/31/49/02/467314902.db2.gz PKAWCEPXEVPWNE-ZDUSSCGKSA-N 1 2 333.432 2.190 20 30 EEEDLO CC1(C)C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H](CO)O1 ZINC000420947411 467520423 /nfs/dbraw/zinc/52/04/23/467520423.db2.gz UWASFYAFTSHKFN-OAHLLOKOSA-N 1 2 343.345 2.408 20 30 EEEDLO CC1(C)C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H](CO)O1 ZINC000420947411 467520427 /nfs/dbraw/zinc/52/04/27/467520427.db2.gz UWASFYAFTSHKFN-OAHLLOKOSA-N 1 2 343.345 2.408 20 30 EEEDLO C=CC[C@H]1N(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CCCC1(C)C ZINC000445088357 467583959 /nfs/dbraw/zinc/58/39/59/467583959.db2.gz GDSBDSMQFFYQMG-DLBZAZTESA-N 1 2 336.524 2.399 20 30 EEEDLO C=CCC1(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CCCC1 ZINC000449855941 467729719 /nfs/dbraw/zinc/72/97/19/467729719.db2.gz LMBHFOCIMDSGQI-UHFFFAOYSA-N 1 2 347.503 2.183 20 30 EEEDLO COc1ccc([C@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)C2CC2)cn1 ZINC000528855269 467768030 /nfs/dbraw/zinc/76/80/30/467768030.db2.gz YWRANFAGGOOQID-QZTJIDSGSA-N 1 2 336.395 2.229 20 30 EEEDLO Cc1cc(/C=C\C(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1F ZINC000492861931 467776343 /nfs/dbraw/zinc/77/63/43/467776343.db2.gz KEDPZFGJLHJJPW-XQRVVYSFSA-N 1 2 345.418 2.222 20 30 EEEDLO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ncc(C#N)cn1 ZINC000497038147 467800033 /nfs/dbraw/zinc/80/00/33/467800033.db2.gz QENCVSLSMLMLMB-STQMWFEESA-N 1 2 331.420 2.083 20 30 EEEDLO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ncc(C#N)cn1 ZINC000497038147 467800038 /nfs/dbraw/zinc/80/00/38/467800038.db2.gz QENCVSLSMLMLMB-STQMWFEESA-N 1 2 331.420 2.083 20 30 EEEDLO C=CC[N@@H+](CCCC(=O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000450554811 467869353 /nfs/dbraw/zinc/86/93/53/467869353.db2.gz KYLZAFXYIIDSSS-INIZCTEOSA-N 1 2 339.432 2.464 20 30 EEEDLO C=CC[N@H+](CCCC(=O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000450554811 467869356 /nfs/dbraw/zinc/86/93/56/467869356.db2.gz KYLZAFXYIIDSSS-INIZCTEOSA-N 1 2 339.432 2.464 20 30 EEEDLO COc1cc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1OC(C)C ZINC000493341295 467890423 /nfs/dbraw/zinc/89/04/23/467890423.db2.gz VBTSOJSWSWYUCY-RQMBKDMJSA-N 1 2 345.443 2.456 20 30 EEEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)C1 ZINC000459004432 467935631 /nfs/dbraw/zinc/93/56/31/467935631.db2.gz GINQDWLLNVMIFS-XHSDSOJGSA-N 1 2 329.448 2.467 20 30 EEEDLO N#CC1(NC(=O)[C@@H]2CCC(=O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000515385628 467989800 /nfs/dbraw/zinc/98/98/00/467989800.db2.gz CUSPNDFTUOHEFB-MRXNPFEDSA-N 1 2 325.412 2.030 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000488393785 468084372 /nfs/dbraw/zinc/08/43/72/468084372.db2.gz DQZAUKPCXPZGCA-GOSISDBHSA-N 1 2 339.439 2.477 20 30 EEEDLO C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000575992050 468157986 /nfs/dbraw/zinc/15/79/86/468157986.db2.gz NLNAHSZBMPYJIA-IAQYHMDHSA-N 1 2 343.349 2.433 20 30 EEEDLO CC(=O)N(Cc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1)C(C)C ZINC000576817045 468173214 /nfs/dbraw/zinc/17/32/14/468173214.db2.gz WGFQDIMLFHWZAQ-IBGZPJMESA-N 1 2 346.475 2.062 20 30 EEEDLO CC(=O)N(Cc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1)C(C)C ZINC000576817045 468173217 /nfs/dbraw/zinc/17/32/17/468173217.db2.gz WGFQDIMLFHWZAQ-IBGZPJMESA-N 1 2 346.475 2.062 20 30 EEEDLO N#Cc1cccc(C2([NH2+]Cc3nnnn3Cc3ccccc3)CC2)c1 ZINC000578491731 468206393 /nfs/dbraw/zinc/20/63/93/468206393.db2.gz BKHGAZUJBPTNQZ-UHFFFAOYSA-N 1 2 330.395 2.372 20 30 EEEDLO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2nccc(C(F)F)n2)cc1 ZINC000591767263 468518462 /nfs/dbraw/zinc/51/84/62/468518462.db2.gz BIXASNVSSDRVKE-ZDUSSCGKSA-N 1 2 348.353 2.010 20 30 EEEDLO Cc1cc(N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000569839188 468552498 /nfs/dbraw/zinc/55/24/98/468552498.db2.gz FNGIIZMIXQOKCW-SFHVURJKSA-N 1 2 334.423 2.329 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1C#N ZINC000594422326 468580727 /nfs/dbraw/zinc/58/07/27/468580727.db2.gz XQSAEXRWOSZMNO-KGLIPLIRSA-N 1 2 346.456 2.127 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1C#N ZINC000594422326 468580731 /nfs/dbraw/zinc/58/07/31/468580731.db2.gz XQSAEXRWOSZMNO-KGLIPLIRSA-N 1 2 346.456 2.127 20 30 EEEDLO N#C[C@]1(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)CC12CCCC2 ZINC000597621553 468619169 /nfs/dbraw/zinc/61/91/69/468619169.db2.gz LOAUODANZLODIA-SFHVURJKSA-N 1 2 343.431 2.146 20 30 EEEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148811 468638855 /nfs/dbraw/zinc/63/88/55/468638855.db2.gz CFHCGQCFWVUDHQ-ZBEGNZNMSA-N 1 2 337.807 2.026 20 30 EEEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148811 468638859 /nfs/dbraw/zinc/63/88/59/468638859.db2.gz CFHCGQCFWVUDHQ-ZBEGNZNMSA-N 1 2 337.807 2.026 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149660 468640162 /nfs/dbraw/zinc/64/01/62/468640162.db2.gz SZXMMOBZAHVNSV-YOEHRIQHSA-N 1 2 333.457 2.002 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149660 468640167 /nfs/dbraw/zinc/64/01/67/468640167.db2.gz SZXMMOBZAHVNSV-YOEHRIQHSA-N 1 2 333.457 2.002 20 30 EEEDLO COC(=O)c1ccc(N(C)Cc2[nH+]cc(C)c(OC)c2C)c(C#N)n1 ZINC000558311098 468671983 /nfs/dbraw/zinc/67/19/83/468671983.db2.gz OMEJUTIMVTZPPB-UHFFFAOYSA-N 1 2 340.383 2.397 20 30 EEEDLO N#C[C@@H]1CC[C@@H](n2cc(C[NH+]3CCN(c4ccccc4)CC3)nn2)C1 ZINC000600972731 468702199 /nfs/dbraw/zinc/70/21/99/468702199.db2.gz DGQLYYWOTYOWAU-VQIMIIECSA-N 1 2 336.443 2.465 20 30 EEEDLO N#Cc1ccccc1N1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1 ZINC000595301096 468805088 /nfs/dbraw/zinc/80/50/88/468805088.db2.gz IMKNTHUUPVJHGR-KVSKMBFKSA-N 1 2 338.455 2.128 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)nc1 ZINC000584387388 468858286 /nfs/dbraw/zinc/85/82/86/468858286.db2.gz WPQHZZSFXVOMEX-UHFFFAOYSA-N 1 2 336.424 2.280 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000595520177 468886983 /nfs/dbraw/zinc/88/69/83/468886983.db2.gz YTNACKASEBWDMI-SNVBAGLBSA-N 1 2 349.822 2.221 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000595520177 468886985 /nfs/dbraw/zinc/88/69/85/468886985.db2.gz YTNACKASEBWDMI-SNVBAGLBSA-N 1 2 349.822 2.221 20 30 EEEDLO CC(C)(C#N)CCS(=O)(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000561992712 468914814 /nfs/dbraw/zinc/91/48/14/468914814.db2.gz DZHLOHXHMFFHNL-UHFFFAOYSA-N 1 2 346.456 2.291 20 30 EEEDLO N#Cc1sccc1N1CC[NH+]([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000595629511 468930746 /nfs/dbraw/zinc/93/07/46/468930746.db2.gz FBMOUXWJSWUZBR-IJEWVQPXSA-N 1 2 344.484 2.189 20 30 EEEDLO CC[C@@H](C#N)C(=O)N1CCN(Cc2c(C)[nH+]c3cc(C)ccn32)CC1 ZINC000593387359 468959834 /nfs/dbraw/zinc/95/98/34/468959834.db2.gz OTQHAIQPOZLVLO-INIZCTEOSA-N 1 2 339.443 2.145 20 30 EEEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000593387359 468959836 /nfs/dbraw/zinc/95/98/36/468959836.db2.gz OTQHAIQPOZLVLO-INIZCTEOSA-N 1 2 339.443 2.145 20 30 EEEDLO Cc1[nH]nc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1C#N ZINC000601678268 468963307 /nfs/dbraw/zinc/96/33/07/468963307.db2.gz DEXVHDGMFPALTK-UHFFFAOYSA-N 1 2 340.412 2.418 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610701488 469044535 /nfs/dbraw/zinc/04/45/35/469044535.db2.gz QWNQZDSYJOLUEF-GOSISDBHSA-N 1 2 325.416 2.017 20 30 EEEDLO N#Cc1cccc(OCCCCC(=O)N[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000598946627 469061407 /nfs/dbraw/zinc/06/14/07/469061407.db2.gz HSEMWAPGYQSPQD-INIZCTEOSA-N 1 2 338.411 2.435 20 30 EEEDLO N#Cc1cccc(CNC(=O)C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1 ZINC000610847172 469088671 /nfs/dbraw/zinc/08/86/71/469088671.db2.gz QWJFJFPSEFNIMC-UHFFFAOYSA-N 1 2 345.406 2.150 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CCNC(=O)[C@](C)(C=C)CC)CC1 ZINC000614908833 469091566 /nfs/dbraw/zinc/09/15/66/469091566.db2.gz IVORGBWADAHFDU-UXHICEINSA-N 1 2 349.519 2.451 20 30 EEEDLO C[C@@H](CC#N)[NH2+]CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000602865789 469127268 /nfs/dbraw/zinc/12/72/68/469127268.db2.gz YXXOLZGARSLBLJ-AWEZNQCLSA-N 1 2 343.427 2.235 20 30 EEEDLO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+][C@@H](C)CC#N)CCC2 ZINC000602869223 469130025 /nfs/dbraw/zinc/13/00/25/469130025.db2.gz MUUOZRAOBBVYQN-JTQLQIEISA-N 1 2 335.429 2.244 20 30 EEEDLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCN(CC#N)CC1 ZINC000615117699 469156875 /nfs/dbraw/zinc/15/68/75/469156875.db2.gz GDHXUNUPKRNAGH-INIZCTEOSA-N 1 2 335.835 2.002 20 30 EEEDLO COc1ccc(F)cc1C[NH+]1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602432775 469313983 /nfs/dbraw/zinc/31/39/83/469313983.db2.gz OBZRJDNJTDJDMT-UHFFFAOYSA-N 1 2 340.402 2.419 20 30 EEEDLO COc1ccc(F)cc1CN1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602432775 469313987 /nfs/dbraw/zinc/31/39/87/469313987.db2.gz OBZRJDNJTDJDMT-UHFFFAOYSA-N 1 2 340.402 2.419 20 30 EEEDLO COC(=O)c1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)on1 ZINC000602451411 469321101 /nfs/dbraw/zinc/32/11/01/469321101.db2.gz GNVFGDYRCWQETA-UHFFFAOYSA-N 1 2 341.367 2.376 20 30 EEEDLO CCOC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612157998 469407657 /nfs/dbraw/zinc/40/76/57/469407657.db2.gz GTSQKXJSJZDZDR-LPHOPBHVSA-N 1 2 346.427 2.229 20 30 EEEDLO CCOC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612157998 469407661 /nfs/dbraw/zinc/40/76/61/469407661.db2.gz GTSQKXJSJZDZDR-LPHOPBHVSA-N 1 2 346.427 2.229 20 30 EEEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3n[nH]c4ccccc43)C2=O)cc1 ZINC000616997614 469564344 /nfs/dbraw/zinc/56/43/44/469564344.db2.gz WEYABQFEZNJUME-GOSISDBHSA-N 1 2 345.406 2.325 20 30 EEEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000619367364 469591665 /nfs/dbraw/zinc/59/16/65/469591665.db2.gz YLIMRECFKLSTSY-ROUUACIJSA-N 1 2 333.395 2.301 20 30 EEEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@]1(C#N)CCSC1 ZINC000619433044 469604236 /nfs/dbraw/zinc/60/42/36/469604236.db2.gz XDNDZYFUOFZVPX-HNNXBMFYSA-N 1 2 336.367 2.138 20 30 EEEDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000619531765 469633382 /nfs/dbraw/zinc/63/33/82/469633382.db2.gz JSWNDLKNYYBFSI-INIZCTEOSA-N 1 2 332.404 2.269 20 30 EEEDLO CN(C)c1cc[nH+]c(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c1 ZINC000619615764 469651678 /nfs/dbraw/zinc/65/16/78/469651678.db2.gz RHBFHDJRGBFPDH-UHFFFAOYSA-N 1 2 332.367 2.457 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000619717936 469670110 /nfs/dbraw/zinc/67/01/10/469670110.db2.gz AQBXDTRRBVRCQJ-AAEUAGOBSA-N 1 2 347.333 2.105 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000619717936 469670114 /nfs/dbraw/zinc/67/01/14/469670114.db2.gz AQBXDTRRBVRCQJ-AAEUAGOBSA-N 1 2 347.333 2.105 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N(C(C)C)C2CCCC2)CC1 ZINC000609539423 469938372 /nfs/dbraw/zinc/93/83/72/469938372.db2.gz ZOIDCQKVPPEARR-GOSISDBHSA-N 1 2 334.508 2.332 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)C(CC)CC)CC1 ZINC000642099371 470523733 /nfs/dbraw/zinc/52/37/33/470523733.db2.gz QIBSFUZYDUQMRB-INIZCTEOSA-N 1 2 335.492 2.156 20 30 EEEDLO C=CC[C@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000663539965 471417959 /nfs/dbraw/zinc/41/79/59/471417959.db2.gz RLWOCYRBPMZDEO-INIZCTEOSA-N 1 2 344.459 2.416 20 30 EEEDLO C=C[C@H](O)C(=O)N(CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000668260261 472062629 /nfs/dbraw/zinc/06/26/29/472062629.db2.gz GXBJFFQCSRSGEO-SFHVURJKSA-N 1 2 343.427 2.248 20 30 EEEDLO CC[N@H+](CCCNC(=O)Nc1nn(C)cc1C#N)c1ccccc1 ZINC000610564916 486713729 /nfs/dbraw/zinc/71/37/29/486713729.db2.gz TYNHFFUHCSYCOB-UHFFFAOYSA-N 1 2 326.404 2.330 20 30 EEEDLO CC[N@@H+](CCCNC(=O)Nc1nn(C)cc1C#N)c1ccccc1 ZINC000610564916 486713732 /nfs/dbraw/zinc/71/37/32/486713732.db2.gz TYNHFFUHCSYCOB-UHFFFAOYSA-N 1 2 326.404 2.330 20 30 EEEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000673741820 485515279 /nfs/dbraw/zinc/51/52/79/485515279.db2.gz FLCMGHVJFMOCEZ-UHFFFAOYSA-N 1 2 349.394 2.331 20 30 EEEDLO N#CCCCCS(=O)(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000104111634 534604412 /nfs/dbraw/zinc/60/44/12/534604412.db2.gz ASHWDRJBFZERPH-UHFFFAOYSA-N 1 2 332.429 2.045 20 30 EEEDLO O=C(Nc1cccc2c1OCCC2=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330259454 534774351 /nfs/dbraw/zinc/77/43/51/534774351.db2.gz SBUVMNLSQGTRFV-LLVKDONJSA-N 1 2 326.356 2.189 20 30 EEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc(F)c(Br)c1 ZINC000112335905 526689117 /nfs/dbraw/zinc/68/91/17/526689117.db2.gz YYHMNBKJDWTMOG-UHFFFAOYSA-N 1 2 346.200 2.292 20 30 EEEDLO C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000121904723 527019853 /nfs/dbraw/zinc/01/98/53/527019853.db2.gz XFSTVSVNVSWYHP-LLVKDONJSA-N 1 2 326.400 2.470 20 30 EEEDLO C=CCc1cc(C[N@@H+](CC)[C@H]2CCS(=O)(=O)C2)cc(OC)c1O ZINC000179597071 527236204 /nfs/dbraw/zinc/23/62/04/527236204.db2.gz KGIKJVKOFMKRRW-HNNXBMFYSA-N 1 2 339.457 2.138 20 30 EEEDLO C=CCc1cc(C[N@H+](CC)[C@H]2CCS(=O)(=O)C2)cc(OC)c1O ZINC000179597071 527236207 /nfs/dbraw/zinc/23/62/07/527236207.db2.gz KGIKJVKOFMKRRW-HNNXBMFYSA-N 1 2 339.457 2.138 20 30 EEEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000192244866 528866029 /nfs/dbraw/zinc/86/60/29/528866029.db2.gz RDDBEELYUFOOEX-UHFFFAOYSA-N 1 2 346.456 2.418 20 30 EEEDLO CC(C)[N@H+](CC(N)=O)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000112571568 528869531 /nfs/dbraw/zinc/86/95/31/528869531.db2.gz GKRKDWZBSVLXNG-CYBMUJFWSA-N 1 2 348.472 2.073 20 30 EEEDLO CC(C)[N@@H+](CC(N)=O)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000112571568 528869536 /nfs/dbraw/zinc/86/95/36/528869536.db2.gz GKRKDWZBSVLXNG-CYBMUJFWSA-N 1 2 348.472 2.073 20 30 EEEDLO C#Cc1ccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cn1 ZINC000737646764 576200498 /nfs/dbraw/zinc/20/04/98/576200498.db2.gz LMFZXWWLGSLWGT-UHFFFAOYSA-N 1 2 335.407 2.456 20 30 EEEDLO C[C@H]1COCC[N@@H+]1CCNC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000729160753 576607199 /nfs/dbraw/zinc/60/71/99/576607199.db2.gz CVFGSAFNZBTUIG-NSHDSACASA-N 1 2 338.864 2.219 20 30 EEEDLO C[C@H]1COCC[N@H+]1CCNC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000729160753 576607200 /nfs/dbraw/zinc/60/72/00/576607200.db2.gz CVFGSAFNZBTUIG-NSHDSACASA-N 1 2 338.864 2.219 20 30 EEEDLO CCn1c(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)nc2ccccc21 ZINC000734507430 577304205 /nfs/dbraw/zinc/30/42/05/577304205.db2.gz YWUOMCQGAJFXTM-GOSISDBHSA-N 1 2 333.395 2.244 20 30 EEEDLO NS(=O)(=O)c1ccccc1N[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000773120773 577317258 /nfs/dbraw/zinc/31/72/58/577317258.db2.gz JCVOMJFEMKYKJG-UHFFFAOYSA-N 1 2 348.428 2.363 20 30 EEEDLO C#C[C@@H]([NH2+]Cc1nc(-c2ccc(OC)cc2OC)no1)[C@H]1CCCO1 ZINC000775801032 577446364 /nfs/dbraw/zinc/44/63/64/577446364.db2.gz VVRZNYMBNWEUCP-HUUCEWRRSA-N 1 2 343.383 2.024 20 30 EEEDLO C#CCC[NH+]1CCN(S(=O)(=O)/C=C\c2cccc(Cl)c2)CC1 ZINC000768814216 577563088 /nfs/dbraw/zinc/56/30/88/577563088.db2.gz WMALXLXABOHMIJ-QPEQYQDCSA-N 1 2 338.860 2.281 20 30 EEEDLO COc1cc(C)[nH+]c(CON=CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000769555910 577580537 /nfs/dbraw/zinc/58/05/37/577580537.db2.gz HMFRWWGGVROQDY-UHFFFAOYSA-N 1 2 344.327 2.448 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1 ZINC000758315388 577621475 /nfs/dbraw/zinc/62/14/75/577621475.db2.gz WJTJFIXGEKVKKI-HNNXBMFYSA-N 1 2 330.338 2.391 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1 ZINC000758315388 577621476 /nfs/dbraw/zinc/62/14/76/577621476.db2.gz WJTJFIXGEKVKKI-HNNXBMFYSA-N 1 2 330.338 2.391 20 30 EEEDLO CC(=O)Nc1cccc(C(C)N=Nc2ccc(-n3cc[nH+]c3)nn2)c1 ZINC000761836455 577689839 /nfs/dbraw/zinc/68/98/39/577689839.db2.gz SVYMFEODCZVIGI-UHFFFAOYSA-N 1 2 335.371 2.457 20 30 EEEDLO COC(=O)c1cccc(COC(=O)c2ccc3[nH+]ccn3c2)c1C#N ZINC000756189322 577839996 /nfs/dbraw/zinc/83/99/96/577839996.db2.gz DITSMZQKTRTYGY-UHFFFAOYSA-N 1 2 335.319 2.350 20 30 EEEDLO C[N@H+](Cc1cccc(O)c1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000746456611 577928018 /nfs/dbraw/zinc/92/80/18/577928018.db2.gz BKMFAPFFCXYWGI-UHFFFAOYSA-N 1 2 334.379 2.258 20 30 EEEDLO C[N@@H+](Cc1cccc(O)c1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000746456611 577928019 /nfs/dbraw/zinc/92/80/19/577928019.db2.gz BKMFAPFFCXYWGI-UHFFFAOYSA-N 1 2 334.379 2.258 20 30 EEEDLO C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)nn(CCC(=O)[O-])c2C)CC1 ZINC000833369404 605089868 /nfs/dbraw/zinc/08/98/68/605089868.db2.gz VRQPKBCIYAVJLU-UHFFFAOYSA-N 1 2 334.464 2.105 20 30 EEEDLO C[C@@H](NC(=O)c1ccncc1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969203041 674691895 /nfs/dbraw/zinc/69/18/95/674691895.db2.gz PVYWLIQGQWGJOI-CYBMUJFWSA-N 1 2 338.386 2.343 20 30 EEEDLO Cc1noc(C)c1C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969272041 674773598 /nfs/dbraw/zinc/77/35/98/674773598.db2.gz GCRKJKDIQDONME-LBPRGKRZSA-N 1 2 338.411 2.413 20 30 EEEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](CC=C(Cl)Cl)C1 ZINC000969514540 675081307 /nfs/dbraw/zinc/08/13/07/675081307.db2.gz QEWHSHLRTQKYAD-VIFPVBQESA-N 1 2 327.215 2.255 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(OCC)s2)C1 ZINC000969564293 675107644 /nfs/dbraw/zinc/10/76/44/675107644.db2.gz PDMFPBCLJRDNDZ-GFCCVEGCSA-N 1 2 338.477 2.230 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H](C)C2C[NH+](Cc3nc(C)cs3)C2)c1 ZINC000970399242 675853803 /nfs/dbraw/zinc/85/38/03/675853803.db2.gz OCEFBHIVUVIVNM-ZDUSSCGKSA-N 1 2 340.452 2.078 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)CCCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001067450474 676230897 /nfs/dbraw/zinc/23/08/97/676230897.db2.gz STGIYLQKLIXZLK-INIZCTEOSA-N 1 2 346.475 2.497 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@@]3(CC)C(C)C)CC2)C1 ZINC000949503568 676470020 /nfs/dbraw/zinc/47/00/20/676470020.db2.gz HYUMBMKFASICDO-PXNSSMCTSA-N 1 2 332.488 2.385 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@@]3(CC)C(C)C)CC2)C1 ZINC000949503568 676470021 /nfs/dbraw/zinc/47/00/21/676470021.db2.gz HYUMBMKFASICDO-PXNSSMCTSA-N 1 2 332.488 2.385 20 30 EEEDLO C[N@H+](Cc1cnc(Cl)s1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971291628 676473241 /nfs/dbraw/zinc/47/32/41/676473241.db2.gz KEZFRHCBIAJXMC-LLVKDONJSA-N 1 2 349.847 2.343 20 30 EEEDLO C[N@@H+](Cc1cnc(Cl)s1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971291628 676473242 /nfs/dbraw/zinc/47/32/42/676473242.db2.gz KEZFRHCBIAJXMC-LLVKDONJSA-N 1 2 349.847 2.343 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(CC)c(CC)c3)C2)C1 ZINC000972702845 679687531 /nfs/dbraw/zinc/68/75/31/679687531.db2.gz NHSHQQMWRONPGY-OAQYLSRUSA-N 1 2 340.467 2.362 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(CC)c(CC)c3)C2)C1 ZINC000972702845 679687533 /nfs/dbraw/zinc/68/75/33/679687533.db2.gz NHSHQQMWRONPGY-OAQYLSRUSA-N 1 2 340.467 2.362 20 30 EEEDLO Cc1cc(C#N)ccc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000891608287 676714568 /nfs/dbraw/zinc/71/45/68/676714568.db2.gz BRLFDQDGZVECEL-UHFFFAOYSA-N 1 2 326.444 2.001 20 30 EEEDLO O=C(NCC#C[C@@H]1CCCCO1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000891741655 676810977 /nfs/dbraw/zinc/81/09/77/676810977.db2.gz QFISHFCSUZVQMM-KRWDZBQOSA-N 1 2 342.443 2.054 20 30 EEEDLO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(OCC#N)cc2)o1 ZINC001038041728 676902314 /nfs/dbraw/zinc/90/23/14/676902314.db2.gz GGBRWRPAHDXTKZ-MRXNPFEDSA-N 1 2 339.395 2.495 20 30 EEEDLO Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(OCC#N)cc2)o1 ZINC001038041728 676902315 /nfs/dbraw/zinc/90/23/15/676902315.db2.gz GGBRWRPAHDXTKZ-MRXNPFEDSA-N 1 2 339.395 2.495 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3nccs3)C2)cc1 ZINC000972058937 678184798 /nfs/dbraw/zinc/18/47/98/678184798.db2.gz MYPQGOPITHFMBV-INIZCTEOSA-N 1 2 325.437 2.471 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3nccs3)C2)cc1 ZINC000972058937 678184799 /nfs/dbraw/zinc/18/47/99/678184799.db2.gz MYPQGOPITHFMBV-INIZCTEOSA-N 1 2 325.437 2.471 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cnnn3CC)C2)CC1 ZINC000972233554 678432673 /nfs/dbraw/zinc/43/26/73/678432673.db2.gz BAMNUWWKJCYRNE-MRXNPFEDSA-N 1 2 331.464 2.077 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]([N@H+](C)Cc3cnnn3CC)C2)CC1 ZINC000972233554 678432677 /nfs/dbraw/zinc/43/26/77/678432677.db2.gz BAMNUWWKJCYRNE-MRXNPFEDSA-N 1 2 331.464 2.077 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3cc(F)ccc3C#N)C2)O1 ZINC000972382571 678631719 /nfs/dbraw/zinc/63/17/19/678631719.db2.gz IRYNBZVENDQJBA-FSPWUOQZSA-N 1 2 345.418 2.298 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(F)ccc3C#N)C2)O1 ZINC000972382571 678631722 /nfs/dbraw/zinc/63/17/22/678631722.db2.gz IRYNBZVENDQJBA-FSPWUOQZSA-N 1 2 345.418 2.298 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC(F)(F)C3)C2)C1 ZINC000972404427 678692675 /nfs/dbraw/zinc/69/26/75/678692675.db2.gz DBZXLPJVPLEOQX-HOCLYGCPSA-N 1 2 328.403 2.301 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC(F)(F)C3)C2)C1 ZINC000972404427 678692678 /nfs/dbraw/zinc/69/26/78/678692678.db2.gz DBZXLPJVPLEOQX-HOCLYGCPSA-N 1 2 328.403 2.301 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@@H+](Cc2nc(C)no2)C1 ZINC001023416369 679297359 /nfs/dbraw/zinc/29/73/59/679297359.db2.gz YETUHCGYZUZVLO-OAHLLOKOSA-N 1 2 343.431 2.008 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@H+](Cc2nc(C)no2)C1 ZINC001023416369 679297360 /nfs/dbraw/zinc/29/73/60/679297360.db2.gz YETUHCGYZUZVLO-OAHLLOKOSA-N 1 2 343.431 2.008 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C2CC(F)(F)C2)cc1C#N ZINC001038143356 679302561 /nfs/dbraw/zinc/30/25/61/679302561.db2.gz DOKHGXOLDCXIRC-HNNXBMFYSA-N 1 2 349.381 2.303 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C2CC(F)(F)C2)cc1C#N ZINC001038143356 679302562 /nfs/dbraw/zinc/30/25/62/679302562.db2.gz DOKHGXOLDCXIRC-HNNXBMFYSA-N 1 2 349.381 2.303 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)c3ccccc3C)C2)C1 ZINC000972580691 679346035 /nfs/dbraw/zinc/34/60/35/679346035.db2.gz AIOKRMCWRRJODI-RXVVDRJESA-N 1 2 340.467 2.425 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)c3ccccc3C)C2)C1 ZINC000972580691 679346036 /nfs/dbraw/zinc/34/60/36/679346036.db2.gz AIOKRMCWRRJODI-RXVVDRJESA-N 1 2 340.467 2.425 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C)c(OCC)c3)C2)C1 ZINC000972581391 679349272 /nfs/dbraw/zinc/34/92/72/679349272.db2.gz IOWDEQACNMEEFZ-HXUWFJFHSA-N 1 2 344.455 2.497 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C)c(OCC)c3)C2)C1 ZINC000972581391 679349273 /nfs/dbraw/zinc/34/92/73/679349273.db2.gz IOWDEQACNMEEFZ-HXUWFJFHSA-N 1 2 344.455 2.497 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3csc(C(C)C)n3)C2)C1 ZINC000972599537 679402775 /nfs/dbraw/zinc/40/27/75/679402775.db2.gz SLLLZINRLPSAPO-KRWDZBQOSA-N 1 2 335.473 2.369 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3csc(C(C)C)n3)C2)C1 ZINC000972599537 679402778 /nfs/dbraw/zinc/40/27/78/679402778.db2.gz SLLLZINRLPSAPO-KRWDZBQOSA-N 1 2 335.473 2.369 20 30 EEEDLO C[C@H]1C[C@H](NC(=O)c2ncc[nH]2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947296651 679405935 /nfs/dbraw/zinc/40/59/35/679405935.db2.gz PFAIQRQRXBCFBA-BLLLJJGKSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@H]1C[C@H](NC(=O)c2ncc[nH]2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947296651 679405937 /nfs/dbraw/zinc/40/59/37/679405937.db2.gz PFAIQRQRXBCFBA-BLLLJJGKSA-N 1 2 341.390 2.203 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3coc4ccccc34)C2)C1 ZINC000972613208 679426136 /nfs/dbraw/zinc/42/61/36/679426136.db2.gz ANKPHXICXONWAX-HXUWFJFHSA-N 1 2 340.423 2.465 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3coc4ccccc34)C2)C1 ZINC000972613208 679426138 /nfs/dbraw/zinc/42/61/38/679426138.db2.gz ANKPHXICXONWAX-HXUWFJFHSA-N 1 2 340.423 2.465 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H](CNC(=O)c2nccs2)C1 ZINC001023666525 679462827 /nfs/dbraw/zinc/46/28/27/679462827.db2.gz SYJWJIVFRDGUGR-NSHDSACASA-N 1 2 344.278 2.494 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H](CNC(=O)c2nccs2)C1 ZINC001023666525 679462828 /nfs/dbraw/zinc/46/28/28/679462828.db2.gz SYJWJIVFRDGUGR-NSHDSACASA-N 1 2 344.278 2.494 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(OC(C)C)cc3)C2)C1 ZINC000972664128 679535542 /nfs/dbraw/zinc/53/55/42/679535542.db2.gz HDFRQNWSFQGKAW-FQEVSTJZSA-N 1 2 342.439 2.024 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(OC(C)C)cc3)C2)C1 ZINC000972664128 679535543 /nfs/dbraw/zinc/53/55/43/679535543.db2.gz HDFRQNWSFQGKAW-FQEVSTJZSA-N 1 2 342.439 2.024 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3cccc(OC)c3)C2)C1 ZINC000972688751 679605791 /nfs/dbraw/zinc/60/57/91/679605791.db2.gz PSDIDKBOXLAINJ-JXFKEZNVSA-N 1 2 344.455 2.288 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3cccc(OC)c3)C2)C1 ZINC000972688751 679605793 /nfs/dbraw/zinc/60/57/93/679605793.db2.gz PSDIDKBOXLAINJ-JXFKEZNVSA-N 1 2 344.455 2.288 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3csc(CC(C)C)n3)C2)C1 ZINC000972697639 679626793 /nfs/dbraw/zinc/62/67/93/679626793.db2.gz ZNWMALJCIZMMQC-SFHVURJKSA-N 1 2 349.500 2.445 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3csc(CC(C)C)n3)C2)C1 ZINC000972697639 679626794 /nfs/dbraw/zinc/62/67/94/679626794.db2.gz ZNWMALJCIZMMQC-SFHVURJKSA-N 1 2 349.500 2.445 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2cc(Cl)no2)C1 ZINC000972777586 679767488 /nfs/dbraw/zinc/76/74/88/679767488.db2.gz LCRZUKMRBSBLOM-VIFPVBQESA-N 1 2 348.628 2.383 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2cc(Cl)no2)C1 ZINC000972777586 679767489 /nfs/dbraw/zinc/76/74/89/679767489.db2.gz LCRZUKMRBSBLOM-VIFPVBQESA-N 1 2 348.628 2.383 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1ccon1 ZINC000972827735 679807721 /nfs/dbraw/zinc/80/77/21/679807721.db2.gz TVOMJZDJBZFBKM-MRXNPFEDSA-N 1 2 342.374 2.326 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1ccon1 ZINC000972827735 679807722 /nfs/dbraw/zinc/80/77/22/679807722.db2.gz TVOMJZDJBZFBKM-MRXNPFEDSA-N 1 2 342.374 2.326 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn(CC(F)F)n1 ZINC001024497580 679984390 /nfs/dbraw/zinc/98/43/90/679984390.db2.gz MTVYHPDKUJVVMX-GFCCVEGCSA-N 1 2 346.809 2.485 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn(CC(F)F)n1 ZINC001024497580 679984384 /nfs/dbraw/zinc/98/43/84/679984384.db2.gz MTVYHPDKUJVVMX-GFCCVEGCSA-N 1 2 346.809 2.485 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnn(CCF)c1 ZINC001024516586 680021812 /nfs/dbraw/zinc/02/18/12/680021812.db2.gz LQGRIADFKJAVKH-CQSZACIVSA-N 1 2 328.819 2.189 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn(CCF)c1 ZINC001024516586 680021819 /nfs/dbraw/zinc/02/18/19/680021819.db2.gz LQGRIADFKJAVKH-CQSZACIVSA-N 1 2 328.819 2.189 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001024649164 681319179 /nfs/dbraw/zinc/31/91/79/681319179.db2.gz QRIBYIKZJLEAET-CYBMUJFWSA-N 1 2 339.871 2.370 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ncn(C(C)(C)C)n1 ZINC001024649164 681319183 /nfs/dbraw/zinc/31/91/83/681319183.db2.gz QRIBYIKZJLEAET-CYBMUJFWSA-N 1 2 339.871 2.370 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001028600230 681343329 /nfs/dbraw/zinc/34/33/29/681343329.db2.gz DOVGEEKWTPWUPD-SNVBAGLBSA-N 1 2 331.247 2.430 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001028600230 681343330 /nfs/dbraw/zinc/34/33/30/681343330.db2.gz DOVGEEKWTPWUPD-SNVBAGLBSA-N 1 2 331.247 2.430 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)CCO1 ZINC000982968915 681591736 /nfs/dbraw/zinc/59/17/36/681591736.db2.gz ZPBRFJLAOSCQKI-CABCVRRESA-N 1 2 347.484 2.469 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)CCO1 ZINC000982968915 681591749 /nfs/dbraw/zinc/59/17/49/681591749.db2.gz ZPBRFJLAOSCQKI-CABCVRRESA-N 1 2 347.484 2.469 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3nnc(CC)o3)C2)CC1 ZINC001028781354 682212329 /nfs/dbraw/zinc/21/23/29/682212329.db2.gz UWEGDCBCJKTRKT-AWEZNQCLSA-N 1 2 332.448 2.317 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3nnc(CC)o3)C2)CC1 ZINC001028781354 682212331 /nfs/dbraw/zinc/21/23/31/682212331.db2.gz UWEGDCBCJKTRKT-AWEZNQCLSA-N 1 2 332.448 2.317 20 30 EEEDLO Cc1noc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC001025227673 682257513 /nfs/dbraw/zinc/25/75/13/682257513.db2.gz AXYMFRGDBORPLL-IRXDYDNUSA-N 1 2 342.443 2.137 20 30 EEEDLO Cc1noc(C[N@H+]2CCC[C@H]2[C@@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC001025227673 682257517 /nfs/dbraw/zinc/25/75/17/682257517.db2.gz AXYMFRGDBORPLL-IRXDYDNUSA-N 1 2 342.443 2.137 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2[nH]nc3c2C[C@@H](C)CC3)C1 ZINC001028898626 682445360 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ZINC001088491296 1187035665 /nfs/dbraw/zinc/03/56/65/1187035665.db2.gz TZFTZZJZKWYQBH-ACJLOTCBSA-N 1 2 343.402 2.471 20 30 EEEDLO CO[C@@H](C(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F)C1CC1 ZINC001482593431 1187233090 /nfs/dbraw/zinc/23/30/90/1187233090.db2.gz LBJBDKPTYXUUSA-QGZVFWFLSA-N 1 2 333.407 2.013 20 30 EEEDLO CO[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F)C1CC1 ZINC001482593431 1187233091 /nfs/dbraw/zinc/23/30/91/1187233091.db2.gz LBJBDKPTYXUUSA-QGZVFWFLSA-N 1 2 333.407 2.013 20 30 EEEDLO COCCOC[N@@H+]1CCC2(CN(C(=O)CC3(C#N)CCCCC3)C2)C1 ZINC001272130395 1187940482 /nfs/dbraw/zinc/94/04/82/1187940482.db2.gz DRSHZVXNLZSKRO-UHFFFAOYSA-N 1 2 349.475 2.005 20 30 EEEDLO COCCOC[N@H+]1CCC2(CN(C(=O)CC3(C#N)CCCCC3)C2)C1 ZINC001272130395 1187940484 /nfs/dbraw/zinc/94/04/84/1187940484.db2.gz DRSHZVXNLZSKRO-UHFFFAOYSA-N 1 2 349.475 2.005 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc(C)nc3C2)[C@H]1C ZINC001088661970 1188069373 /nfs/dbraw/zinc/06/93/73/1188069373.db2.gz GFVANDVXGCJQOR-KFWWJZLASA-N 1 2 336.867 2.085 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc(C)nc3C2)[C@H]1C ZINC001088661970 1188069381 /nfs/dbraw/zinc/06/93/81/1188069381.db2.gz GFVANDVXGCJQOR-KFWWJZLASA-N 1 2 336.867 2.085 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc(C)nc3C2)[C@H]1C ZINC001088661969 1188069427 /nfs/dbraw/zinc/06/94/27/1188069427.db2.gz GFVANDVXGCJQOR-ILXRZTDVSA-N 1 2 336.867 2.085 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc(C)nc3C2)[C@H]1C ZINC001088661969 1188069434 /nfs/dbraw/zinc/06/94/34/1188069434.db2.gz GFVANDVXGCJQOR-ILXRZTDVSA-N 1 2 336.867 2.085 20 30 EEEDLO Cc1nsc(N(C)CCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1C#N ZINC001105580491 1188196680 /nfs/dbraw/zinc/19/66/80/1188196680.db2.gz BGAYVKIVMPCKRK-GFCCVEGCSA-N 1 2 346.460 2.066 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4cccnn43)[C@@H]2C1 ZINC001076333800 1188860290 /nfs/dbraw/zinc/86/02/90/1188860290.db2.gz JLLJAIHUPUEINO-XJKSGUPXSA-N 1 2 330.819 2.233 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4cccnn43)[C@@H]2C1 ZINC001076333800 1188860292 /nfs/dbraw/zinc/86/02/92/1188860292.db2.gz JLLJAIHUPUEINO-XJKSGUPXSA-N 1 2 330.819 2.233 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ncc4n3CCCC4)[C@@H]2C1 ZINC001076590620 1189019835 /nfs/dbraw/zinc/01/98/35/1189019835.db2.gz STNWHEPCZIXFHV-DZGCQCFKSA-N 1 2 334.851 2.118 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ncc4n3CCCC4)[C@@H]2C1 ZINC001076590620 1189019840 /nfs/dbraw/zinc/01/98/40/1189019840.db2.gz STNWHEPCZIXFHV-DZGCQCFKSA-N 1 2 334.851 2.118 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001076690903 1189110530 /nfs/dbraw/zinc/11/05/30/1189110530.db2.gz AJGRIVIDXGDVLK-LSDHHAIUSA-N 1 2 346.475 2.059 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001076691437 1189111626 /nfs/dbraw/zinc/11/16/26/1189111626.db2.gz YWCIEFIJUOLFFB-KBPBESRZSA-N 1 2 346.475 2.443 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3C=CCCC3)[C@@H](O)C2)s1 ZINC001083562662 1189325080 /nfs/dbraw/zinc/32/50/80/1189325080.db2.gz KXILEXQMPHGBFF-XKQJLSEDSA-N 1 2 345.468 2.027 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3C=CCCC3)[C@@H](O)C2)s1 ZINC001083562662 1189325083 /nfs/dbraw/zinc/32/50/83/1189325083.db2.gz KXILEXQMPHGBFF-XKQJLSEDSA-N 1 2 345.468 2.027 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](C)OCC(C)C)CC2)C1 ZINC001105693614 1189566284 /nfs/dbraw/zinc/56/62/84/1189566284.db2.gz CJZGOVKUZIBLML-INIZCTEOSA-N 1 2 338.492 2.315 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cnn(C)c1C(F)(F)F ZINC001409567378 1190046021 /nfs/dbraw/zinc/04/60/21/1190046021.db2.gz MOPQEFLYAXBWAM-SECBINFHSA-N 1 2 338.761 2.242 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cnn(C)c1C(F)(F)F ZINC001409567378 1190046026 /nfs/dbraw/zinc/04/60/26/1190046026.db2.gz MOPQEFLYAXBWAM-SECBINFHSA-N 1 2 338.761 2.242 20 30 EEEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CNC(C)=O)s1 ZINC001017997214 1224192572 /nfs/dbraw/zinc/19/25/72/1224192572.db2.gz ZVOKDUQOHBPIKP-GASCZTMLSA-N 1 2 347.484 2.249 20 30 EEEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CNC(C)=O)s1 ZINC001017997214 1224192579 /nfs/dbraw/zinc/19/25/79/1224192579.db2.gz ZVOKDUQOHBPIKP-GASCZTMLSA-N 1 2 347.484 2.249 20 30 EEEDLO N#CCCCN1C[C@]2(CC[N@@H+](Cc3cc(F)ccc3F)C2)OCC1=O ZINC001272976118 1194284517 /nfs/dbraw/zinc/28/45/17/1194284517.db2.gz SEKVDLYTIFGKHF-GOSISDBHSA-N 1 2 349.381 2.072 20 30 EEEDLO N#CCCCN1C[C@]2(CC[N@H+](Cc3cc(F)ccc3F)C2)OCC1=O ZINC001272976118 1194284520 /nfs/dbraw/zinc/28/45/20/1194284520.db2.gz SEKVDLYTIFGKHF-GOSISDBHSA-N 1 2 349.381 2.072 20 30 EEEDLO C#Cc1cccc(NC(=O)C[NH+]2CCC(N(C)C(=O)C(C)C)CC2)c1 ZINC001005122105 1194466423 /nfs/dbraw/zinc/46/64/23/1194466423.db2.gz FVCJCZANBSGIGR-UHFFFAOYSA-N 1 2 341.455 2.185 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CC[N@H+](Cc3nc(C)c(C)o3)C2)c1 ZINC001033406237 1194550289 /nfs/dbraw/zinc/55/02/89/1194550289.db2.gz SYICQRVPMPQUQI-KRWDZBQOSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3nc(C)c(C)o3)C2)c1 ZINC001033406237 1194550293 /nfs/dbraw/zinc/55/02/93/1194550293.db2.gz SYICQRVPMPQUQI-KRWDZBQOSA-N 1 2 338.411 2.014 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2nc(C)sc2C)C1 ZINC001033432888 1194553553 /nfs/dbraw/zinc/55/35/53/1194553553.db2.gz RVVNEEKVCPHVAS-UXLLHSPISA-N 1 2 349.500 2.384 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001033432888 1194553557 /nfs/dbraw/zinc/55/35/57/1194553557.db2.gz RVVNEEKVCPHVAS-UXLLHSPISA-N 1 2 349.500 2.384 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cn3cccc(C)c3n2)C1 ZINC001033501250 1194634237 /nfs/dbraw/zinc/63/42/37/1194634237.db2.gz STFDMFCTNXDUBL-INIZCTEOSA-N 1 2 346.862 2.470 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cn3cccc(C)c3n2)C1 ZINC001033501250 1194634238 /nfs/dbraw/zinc/63/42/38/1194634238.db2.gz STFDMFCTNXDUBL-INIZCTEOSA-N 1 2 346.862 2.470 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc3ccccc3n2)C1 ZINC001033597787 1194928912 /nfs/dbraw/zinc/92/89/12/1194928912.db2.gz WVQXXOQKQAWDTP-HNNXBMFYSA-N 1 2 332.835 2.322 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc3ccccc3n2)C1 ZINC001033597787 1194928916 /nfs/dbraw/zinc/92/89/16/1194928916.db2.gz WVQXXOQKQAWDTP-HNNXBMFYSA-N 1 2 332.835 2.322 20 30 EEEDLO CCc1ncncc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033664565 1195026073 /nfs/dbraw/zinc/02/60/73/1195026073.db2.gz CZNLDOJOZYXBHO-QGZVFWFLSA-N 1 2 349.438 2.257 20 30 EEEDLO CCc1ncncc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033664565 1195026077 /nfs/dbraw/zinc/02/60/77/1195026077.db2.gz CZNLDOJOZYXBHO-QGZVFWFLSA-N 1 2 349.438 2.257 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2csc(COC)n2)C1 ZINC001033699706 1195090944 /nfs/dbraw/zinc/09/09/44/1195090944.db2.gz KCYKQMQEFYYOQS-NSHDSACASA-N 1 2 329.853 2.188 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2csc(COC)n2)C1 ZINC001033699706 1195090939 /nfs/dbraw/zinc/09/09/39/1195090939.db2.gz KCYKQMQEFYYOQS-NSHDSACASA-N 1 2 329.853 2.188 20 30 EEEDLO Cc1nc[nH]c1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033711406 1195118391 /nfs/dbraw/zinc/11/83/91/1195118391.db2.gz NATRVAHCGDRRPR-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1nc[nH]c1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033711406 1195118394 /nfs/dbraw/zinc/11/83/94/1195118394.db2.gz NATRVAHCGDRRPR-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO CCN(C(=O)c1ccn[nH]1)[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033764559 1195228363 /nfs/dbraw/zinc/22/83/63/1195228363.db2.gz MCGSZXLYNKQPIN-OAHLLOKOSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1ccn[nH]1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033764559 1195228366 /nfs/dbraw/zinc/22/83/66/1195228366.db2.gz MCGSZXLYNKQPIN-OAHLLOKOSA-N 1 2 341.390 2.157 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc[nH]c2)C1 ZINC001033841175 1195362018 /nfs/dbraw/zinc/36/20/18/1195362018.db2.gz UFNNCWJPFAIZHS-ZDUSSCGKSA-N 1 2 326.238 2.460 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc[nH]c2)C1 ZINC001033841175 1195362021 /nfs/dbraw/zinc/36/20/21/1195362021.db2.gz UFNNCWJPFAIZHS-ZDUSSCGKSA-N 1 2 326.238 2.460 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001033953717 1195554572 /nfs/dbraw/zinc/55/45/72/1195554572.db2.gz GDLLNMFXFLXOCS-OAGGEKHMSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001033953717 1195554575 /nfs/dbraw/zinc/55/45/75/1195554575.db2.gz GDLLNMFXFLXOCS-OAGGEKHMSA-N 1 2 349.500 2.465 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001034122028 1195808003 /nfs/dbraw/zinc/80/80/03/1195808003.db2.gz HYRMMDPOQNWGBM-CRAIPNDOSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001034122028 1195808007 /nfs/dbraw/zinc/80/80/07/1195808007.db2.gz HYRMMDPOQNWGBM-CRAIPNDOSA-N 1 2 345.418 2.205 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCOc3ccccc32)C1 ZINC001108118626 1195855128 /nfs/dbraw/zinc/85/51/28/1195855128.db2.gz ZDOHIRCHCCPNFM-OXQOHEQNSA-N 1 2 344.455 2.336 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCOc3ccccc32)C1 ZINC001108118626 1195855130 /nfs/dbraw/zinc/85/51/30/1195855130.db2.gz ZDOHIRCHCCPNFM-OXQOHEQNSA-N 1 2 344.455 2.336 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(N(C)C)cn2)C1 ZINC001034546825 1196375583 /nfs/dbraw/zinc/37/55/83/1196375583.db2.gz LZRKTEOLYGQEKX-AWEZNQCLSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(N(C)C)cn2)C1 ZINC001034546825 1196375587 /nfs/dbraw/zinc/37/55/87/1196375587.db2.gz LZRKTEOLYGQEKX-AWEZNQCLSA-N 1 2 336.867 2.484 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001014802211 1196768977 /nfs/dbraw/zinc/76/89/77/1196768977.db2.gz UKVDCJICRBZHMN-JLSDUUJJSA-N 1 2 327.428 2.064 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001014802211 1196768980 /nfs/dbraw/zinc/76/89/80/1196768980.db2.gz UKVDCJICRBZHMN-JLSDUUJJSA-N 1 2 327.428 2.064 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2sc(C)nc21 ZINC001018168297 1224420070 /nfs/dbraw/zinc/42/00/70/1224420070.db2.gz GRDJGZDDSBJNEM-QLFBSQMISA-N 1 2 329.469 2.180 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2sc(C)nc21 ZINC001018168297 1224420072 /nfs/dbraw/zinc/42/00/72/1224420072.db2.gz GRDJGZDDSBJNEM-QLFBSQMISA-N 1 2 329.469 2.180 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2ncon2)cc1 ZINC001018186497 1224440587 /nfs/dbraw/zinc/44/05/87/1224440587.db2.gz DNGCTRHTFKDMGY-CALCHBBNSA-N 1 2 336.395 2.049 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2ncon2)cc1 ZINC001018186497 1224440593 /nfs/dbraw/zinc/44/05/93/1224440593.db2.gz DNGCTRHTFKDMGY-CALCHBBNSA-N 1 2 336.395 2.049 20 30 EEEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)cc(F)c1F)CC2 ZINC001273274166 1197941526 /nfs/dbraw/zinc/94/15/26/1197941526.db2.gz HNBVLHYSOQLJOB-AWEZNQCLSA-N 1 2 336.357 2.455 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(C(F)(F)F)ccn1 ZINC001273297508 1197980859 /nfs/dbraw/zinc/98/08/59/1197980859.db2.gz WAZCBTWSKHBEJC-HUUCEWRRSA-N 1 2 337.345 2.299 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C(F)(F)F)ccn1 ZINC001273297508 1197980864 /nfs/dbraw/zinc/98/08/64/1197980864.db2.gz WAZCBTWSKHBEJC-HUUCEWRRSA-N 1 2 337.345 2.299 20 30 EEEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3ccc(C)nc3Cl)C2)OCC1=O ZINC001273353992 1198279218 /nfs/dbraw/zinc/27/92/18/1198279218.db2.gz IXJVJKSPISBKSY-QGZVFWFLSA-N 1 2 335.835 2.033 20 30 EEEDLO C=CCN1C[C@]2(CC[N@H+](Cc3ccc(C)nc3Cl)C2)OCC1=O ZINC001273353992 1198279222 /nfs/dbraw/zinc/27/92/22/1198279222.db2.gz IXJVJKSPISBKSY-QGZVFWFLSA-N 1 2 335.835 2.033 20 30 EEEDLO C=CCc1cccc(C[NH+]2CC3(C2)CN(CC(=C)C)C(=O)CO3)c1O ZINC001273359960 1198312475 /nfs/dbraw/zinc/31/24/75/1198312475.db2.gz CNFBTHSFALKQAN-UHFFFAOYSA-N 1 2 342.439 2.110 20 30 EEEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cnc2ccc(Cl)nn12 ZINC001273394110 1198479282 /nfs/dbraw/zinc/47/92/82/1198479282.db2.gz GZFPNWSUSSRZFU-ZIAGYGMSSA-N 1 2 345.834 2.134 20 30 EEEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnc2ccc(Cl)nn12 ZINC001273394110 1198479283 /nfs/dbraw/zinc/47/92/83/1198479283.db2.gz GZFPNWSUSSRZFU-ZIAGYGMSSA-N 1 2 345.834 2.134 20 30 EEEDLO COc1ncccc1C[N@@H+]1C[C@H](NC(=O)C#CC(C)C)CC[C@@H]1C ZINC001132017005 1199212192 /nfs/dbraw/zinc/21/21/92/1199212192.db2.gz LXYDDBKWZQHMAR-DOTOQJQBSA-N 1 2 329.444 2.219 20 30 EEEDLO COc1ncccc1C[N@H+]1C[C@H](NC(=O)C#CC(C)C)CC[C@@H]1C ZINC001132017005 1199212197 /nfs/dbraw/zinc/21/21/97/1199212197.db2.gz LXYDDBKWZQHMAR-DOTOQJQBSA-N 1 2 329.444 2.219 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)sc2C)C1 ZINC001132030876 1199234718 /nfs/dbraw/zinc/23/47/18/1199234718.db2.gz ZPMZRVDUNJDFDT-CZUORRHYSA-N 1 2 349.500 2.269 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(C)sc2C)C1 ZINC001132030876 1199234725 /nfs/dbraw/zinc/23/47/25/1199234725.db2.gz ZPMZRVDUNJDFDT-CZUORRHYSA-N 1 2 349.500 2.269 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132227171 1199466724 /nfs/dbraw/zinc/46/67/24/1199466724.db2.gz AKQHYPOBCYDIBY-CABCVRRESA-N 1 2 337.508 2.330 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132227171 1199466729 /nfs/dbraw/zinc/46/67/29/1199466729.db2.gz AKQHYPOBCYDIBY-CABCVRRESA-N 1 2 337.508 2.330 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)COCc2ccncc2)CC[C@H]1C ZINC001132384460 1199646979 /nfs/dbraw/zinc/64/69/79/1199646979.db2.gz NVGWKYLBTWSNNK-GDBMZVCRSA-N 1 2 337.851 2.320 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)COCc2ccncc2)CC[C@H]1C ZINC001132384460 1199646981 /nfs/dbraw/zinc/64/69/81/1199646981.db2.gz NVGWKYLBTWSNNK-GDBMZVCRSA-N 1 2 337.851 2.320 20 30 EEEDLO S=C(NC[C@@H]1CCCO1)N[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000814728526 1199688865 /nfs/dbraw/zinc/68/88/65/1199688865.db2.gz ZQRGITAQALHMPW-NEPJUHHUSA-N 1 2 330.457 2.337 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCC(=O)N(CC)CC)CC[C@@H]1C ZINC001132505875 1199806501 /nfs/dbraw/zinc/80/65/01/1199806501.db2.gz VWODPCDOCKCNPE-GJZGRUSLSA-N 1 2 343.899 2.357 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCC(=O)N(CC)CC)CC[C@@H]1C ZINC001132505875 1199806504 /nfs/dbraw/zinc/80/65/04/1199806504.db2.gz VWODPCDOCKCNPE-GJZGRUSLSA-N 1 2 343.899 2.357 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nc(Cc2ccccc2)no1 ZINC001132575781 1199874009 /nfs/dbraw/zinc/87/40/09/1199874009.db2.gz DDKDJRDMQYCUIE-CABCVRRESA-N 1 2 342.443 2.324 20 30 EEEDLO C[C@H](O)c1ncc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)s1 ZINC000877744952 1200067902 /nfs/dbraw/zinc/06/79/02/1200067902.db2.gz CCFJUZGZUUKJJJ-ZDUSSCGKSA-N 1 2 328.441 2.390 20 30 EEEDLO COCC[C@@H]1COCC[N@@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878638133 1200590619 /nfs/dbraw/zinc/59/06/19/1200590619.db2.gz YRPRURASOBXODN-MOPGFXCFSA-N 1 2 330.428 2.164 20 30 EEEDLO COCC[C@@H]1COCC[N@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878638133 1200590624 /nfs/dbraw/zinc/59/06/24/1200590624.db2.gz YRPRURASOBXODN-MOPGFXCFSA-N 1 2 330.428 2.164 20 30 EEEDLO Cc1cc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c(C)c[nH+]1 ZINC000879074179 1200845862 /nfs/dbraw/zinc/84/58/62/1200845862.db2.gz KEFLNRARRCKTMH-UHFFFAOYSA-N 1 2 335.411 2.346 20 30 EEEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000879765298 1201248045 /nfs/dbraw/zinc/24/80/45/1201248045.db2.gz MQNWVFUNCCHXEG-HNNXBMFYSA-N 1 2 341.333 2.232 20 30 EEEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000879765298 1201248050 /nfs/dbraw/zinc/24/80/50/1201248050.db2.gz MQNWVFUNCCHXEG-HNNXBMFYSA-N 1 2 341.333 2.232 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2ccccc2OC(F)(F)F)CC1 ZINC000128213011 1201394632 /nfs/dbraw/zinc/39/46/32/1201394632.db2.gz SLIWRRLRISULBF-BQYQJAHWSA-N 1 2 338.329 2.376 20 30 EEEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3Br)C[C@@H]21 ZINC000794970227 1201641348 /nfs/dbraw/zinc/64/13/48/1201641348.db2.gz WTBPPRRIIFYDRK-IMRBUKKESA-N 1 2 335.201 2.172 20 30 EEEDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(C#N)ccc3Br)C[C@@H]21 ZINC000794970227 1201641349 /nfs/dbraw/zinc/64/13/49/1201641349.db2.gz WTBPPRRIIFYDRK-IMRBUKKESA-N 1 2 335.201 2.172 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)CC1(C)C ZINC001114431673 1201890789 /nfs/dbraw/zinc/89/07/89/1201890789.db2.gz YCHYRAJRVPZLPA-HNNXBMFYSA-N 1 2 344.459 2.196 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)Cc2ccccc2Cl)CC1 ZINC000800166495 1202215426 /nfs/dbraw/zinc/21/54/26/1202215426.db2.gz QWBGLFSTADFAPJ-UHFFFAOYSA-N 1 2 333.815 2.340 20 30 EEEDLO CN(C)c1ccc(CNC(=O)[C@H]2CC23CC[NH+](CCC#N)CC3)cc1 ZINC001274032945 1204337933 /nfs/dbraw/zinc/33/79/33/1204337933.db2.gz ZXUMLQXECDRVMQ-GOSISDBHSA-N 1 2 340.471 2.385 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cccnc2OC(C)C)C1=O ZINC001274190894 1204446189 /nfs/dbraw/zinc/44/61/89/1204446189.db2.gz SIRBGODDZBZZRZ-LJQANCHMSA-N 1 2 327.428 2.069 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cccnc2OC(C)C)C1=O ZINC001274190894 1204446190 /nfs/dbraw/zinc/44/61/90/1204446190.db2.gz SIRBGODDZBZZRZ-LJQANCHMSA-N 1 2 327.428 2.069 20 30 EEEDLO N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc3ccccn3n2)C1=O ZINC001274263863 1204980613 /nfs/dbraw/zinc/98/06/13/1204980613.db2.gz KLLXSTXPJIAZEJ-LJQANCHMSA-N 1 2 337.427 2.205 20 30 EEEDLO N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2cc3ccccn3n2)C1=O ZINC001274263863 1204980615 /nfs/dbraw/zinc/98/06/15/1204980615.db2.gz KLLXSTXPJIAZEJ-LJQANCHMSA-N 1 2 337.427 2.205 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Cl)cc1C#N ZINC001274646951 1205113307 /nfs/dbraw/zinc/11/33/07/1205113307.db2.gz ICHBUNKMHQNXLN-IAGOWNOFSA-N 1 2 327.815 2.410 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Cl)cc1C#N ZINC001274646951 1205113311 /nfs/dbraw/zinc/11/33/11/1205113311.db2.gz ICHBUNKMHQNXLN-IAGOWNOFSA-N 1 2 327.815 2.410 20 30 EEEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3cccc(O)c3Cl)C2)OCC1=O ZINC001274724146 1205143968 /nfs/dbraw/zinc/14/39/68/1205143968.db2.gz RBAPXZDGSCUBMM-KRWDZBQOSA-N 1 2 336.819 2.035 20 30 EEEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3cccc(O)c3Cl)C2)OCC1=O ZINC001274724146 1205143969 /nfs/dbraw/zinc/14/39/69/1205143969.db2.gz RBAPXZDGSCUBMM-KRWDZBQOSA-N 1 2 336.819 2.035 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@]23CCN(Cc2cnoc2)C3=O)s1 ZINC001274746947 1205151413 /nfs/dbraw/zinc/15/14/13/1205151413.db2.gz WZQBCOVTAAIYFB-QGZVFWFLSA-N 1 2 342.424 2.375 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@]23CCN(Cc2cnoc2)C3=O)s1 ZINC001274746947 1205151415 /nfs/dbraw/zinc/15/14/15/1205151415.db2.gz WZQBCOVTAAIYFB-QGZVFWFLSA-N 1 2 342.424 2.375 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)cc1F ZINC001275327041 1205309775 /nfs/dbraw/zinc/30/97/75/1205309775.db2.gz HBPFWRFWVPOCBH-MOPGFXCFSA-N 1 2 340.402 2.111 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)cc1F ZINC001275327041 1205309776 /nfs/dbraw/zinc/30/97/76/1205309776.db2.gz HBPFWRFWVPOCBH-MOPGFXCFSA-N 1 2 340.402 2.111 20 30 EEEDLO CCn1ccnc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(F)cc(C#N)c1 ZINC001275413968 1205347748 /nfs/dbraw/zinc/34/77/48/1205347748.db2.gz PCZOTQKCMPAGNC-HDICACEKSA-N 1 2 339.418 2.372 20 30 EEEDLO CCn1ccnc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(F)cc(C#N)c1 ZINC001275413968 1205347750 /nfs/dbraw/zinc/34/77/50/1205347750.db2.gz PCZOTQKCMPAGNC-HDICACEKSA-N 1 2 339.418 2.372 20 30 EEEDLO N#Cc1cc(F)ccc1CN1CC2(C1)C[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001275424931 1205354771 /nfs/dbraw/zinc/35/47/71/1205354771.db2.gz HHRYYNPPAARNSQ-UHFFFAOYSA-N 1 2 338.386 2.116 20 30 EEEDLO CC[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001411733539 1205504736 /nfs/dbraw/zinc/50/47/36/1205504736.db2.gz VCQSNNOOKNIVMY-JYJNAYRXSA-N 1 2 348.495 2.108 20 30 EEEDLO CC[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1CC[N@H+]1CCOC[C@@H]1C ZINC001411733539 1205504738 /nfs/dbraw/zinc/50/47/38/1205504738.db2.gz VCQSNNOOKNIVMY-JYJNAYRXSA-N 1 2 348.495 2.108 20 30 EEEDLO CC[C@@H](C(=O)NCc1ccc(C#N)cc1F)[N@@H+]1CCO[C@@H](CC)C1 ZINC001411760123 1205513597 /nfs/dbraw/zinc/51/35/97/1205513597.db2.gz LDEBCXNJMQOIAI-RDJZCZTQSA-N 1 2 333.407 2.203 20 30 EEEDLO CC[C@@H](C(=O)NCc1ccc(C#N)cc1F)[N@H+]1CCO[C@@H](CC)C1 ZINC001411760123 1205513599 /nfs/dbraw/zinc/51/35/99/1205513599.db2.gz LDEBCXNJMQOIAI-RDJZCZTQSA-N 1 2 333.407 2.203 20 30 EEEDLO C[C@@H]1C[C@H](NC(=O)c2cocn2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947112389 1207873548 /nfs/dbraw/zinc/87/35/48/1207873548.db2.gz MICVIMABKKHYQA-MLGOLLRUSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1C[C@H](NC(=O)c2cocn2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947112389 1207873549 /nfs/dbraw/zinc/87/35/49/1207873549.db2.gz MICVIMABKKHYQA-MLGOLLRUSA-N 1 2 342.374 2.468 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)CC(C)C)C2 ZINC001111246793 1208436731 /nfs/dbraw/zinc/43/67/31/1208436731.db2.gz HOLWWUFMFQLAOH-HZMVEIRTSA-N 1 2 335.492 2.082 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)CC(C)C)C2 ZINC001111246793 1208436736 /nfs/dbraw/zinc/43/67/36/1208436736.db2.gz HOLWWUFMFQLAOH-HZMVEIRTSA-N 1 2 335.492 2.082 20 30 EEEDLO 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KNZNDWIUBCSFPF-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(OC)no2)C1 ZINC001007501907 1222263545 /nfs/dbraw/zinc/26/35/45/1222263545.db2.gz FAWYIMZGTFNPCA-CQSZACIVSA-N 1 2 344.415 2.065 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(OC)no2)C1 ZINC001007501907 1222263548 /nfs/dbraw/zinc/26/35/48/1222263548.db2.gz FAWYIMZGTFNPCA-CQSZACIVSA-N 1 2 344.415 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cnn3c2CCCC3)C1 ZINC001007535420 1222281632 /nfs/dbraw/zinc/28/16/32/1222281632.db2.gz PCVANGZYJQGAAB-HNNXBMFYSA-N 1 2 336.867 2.095 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cnn3c2CCCC3)C1 ZINC001007535420 1222281635 /nfs/dbraw/zinc/28/16/35/1222281635.db2.gz PCVANGZYJQGAAB-HNNXBMFYSA-N 1 2 336.867 2.095 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001008559466 1222926565 /nfs/dbraw/zinc/92/65/65/1222926565.db2.gz ODJNPXWRNSBGIH-XHSDSOJGSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001008559466 1222926567 /nfs/dbraw/zinc/92/65/67/1222926567.db2.gz ODJNPXWRNSBGIH-XHSDSOJGSA-N 1 2 349.862 2.407 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001008574034 1222937007 /nfs/dbraw/zinc/93/70/07/1222937007.db2.gz INRSSVPPUMOJCD-WWGRRREGSA-N 1 2 333.457 2.125 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001008574034 1222937009 /nfs/dbraw/zinc/93/70/09/1222937009.db2.gz INRSSVPPUMOJCD-WWGRRREGSA-N 1 2 333.457 2.125 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)O1 ZINC001008593226 1222949594 /nfs/dbraw/zinc/94/95/94/1222949594.db2.gz WSUDXAFAEASVQN-RPVQJOFSSA-N 1 2 345.418 2.345 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)O1 ZINC001008593226 1222949597 /nfs/dbraw/zinc/94/95/97/1222949597.db2.gz WSUDXAFAEASVQN-RPVQJOFSSA-N 1 2 345.418 2.345 20 30 EEEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNc1cccc(F)c1C#N 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349.438 2.024 20 30 EEEDLO CN(C)c1ccnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001016380395 1226415567 /nfs/dbraw/zinc/41/55/67/1226415567.db2.gz CZJMURVHMYZYNX-KRWDZBQOSA-N 1 2 349.438 2.024 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001014368668 1226534048 /nfs/dbraw/zinc/53/40/48/1226534048.db2.gz JNFVVYPNPQGLMP-INIZCTEOSA-N 1 2 342.830 2.227 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001014368668 1226534052 /nfs/dbraw/zinc/53/40/52/1226534052.db2.gz JNFVVYPNPQGLMP-INIZCTEOSA-N 1 2 342.830 2.227 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2COc3cc(F)ccc3C2)C1 ZINC001014424004 1226602206 /nfs/dbraw/zinc/60/22/06/1226602206.db2.gz HSJKFXZMMHKOJB-UKRRQHHQSA-N 1 2 338.810 2.320 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COc3cc(F)ccc3C2)C1 ZINC001014424004 1226602208 /nfs/dbraw/zinc/60/22/08/1226602208.db2.gz HSJKFXZMMHKOJB-UKRRQHHQSA-N 1 2 338.810 2.320 20 30 EEEDLO C=C1CC(C)(C(=O)NC2CC(N(C)C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001016763683 1226851457 /nfs/dbraw/zinc/85/14/57/1226851457.db2.gz DFQWCGOXAVMHOK-UHFFFAOYSA-N 1 2 344.459 2.149 20 30 EEEDLO C=C1CCC(C(=O)N(C)C2CC(NC(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001016976170 1227007273 /nfs/dbraw/zinc/00/72/73/1227007273.db2.gz YXUIGSJPPZLZSO-UHFFFAOYSA-N 1 2 344.459 2.113 20 30 EEEDLO Cc1nc([C@H](C)[N@H+](C)C[C@@H]2CCCN(C(=O)C#CC3CC3)C2)no1 ZINC001017128724 1227151866 /nfs/dbraw/zinc/15/18/66/1227151866.db2.gz UWNKZBGJBPFEGC-BBRMVZONSA-N 1 2 330.432 2.023 20 30 EEEDLO Cc1nc([C@H](C)[N@@H+](C)C[C@@H]2CCCN(C(=O)C#CC3CC3)C2)no1 ZINC001017128724 1227151869 /nfs/dbraw/zinc/15/18/69/1227151869.db2.gz UWNKZBGJBPFEGC-BBRMVZONSA-N 1 2 330.432 2.023 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2nncn2C)C1 ZINC001017201726 1227223174 /nfs/dbraw/zinc/22/31/74/1227223174.db2.gz METYRZQCIMKMNH-MAUKXSAKSA-N 1 2 333.480 2.088 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2nncn2C)C1 ZINC001017201726 1227223178 /nfs/dbraw/zinc/22/31/78/1227223178.db2.gz METYRZQCIMKMNH-MAUKXSAKSA-N 1 2 333.480 2.088 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCN(c2ccccc2)C1 ZINC001017651056 1227603109 /nfs/dbraw/zinc/60/31/09/1227603109.db2.gz DMYJCIASIBTMMJ-YSIASYRMSA-N 1 2 337.467 2.211 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCN(c2ccccc2)C1 ZINC001017651056 1227603111 /nfs/dbraw/zinc/60/31/11/1227603111.db2.gz DMYJCIASIBTMMJ-YSIASYRMSA-N 1 2 337.467 2.211 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nc2sccn21 ZINC001017663314 1227615317 /nfs/dbraw/zinc/61/53/17/1227615317.db2.gz RAVIRHLVRJKANU-OKILXGFUSA-N 1 2 328.441 2.016 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nc2sccn21 ZINC001017663314 1227615322 /nfs/dbraw/zinc/61/53/22/1227615322.db2.gz RAVIRHLVRJKANU-OKILXGFUSA-N 1 2 328.441 2.016 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001020155014 1229517791 /nfs/dbraw/zinc/51/77/91/1229517791.db2.gz TYHBXFZCGUQNMO-BRWVUGGUSA-N 1 2 349.438 2.138 20 30 EEEDLO CCOC1CC(C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)C1 ZINC001038214912 1229690552 /nfs/dbraw/zinc/69/05/52/1229690552.db2.gz BXGVVLZMIZXGAL-JLAWEPINSA-N 1 2 326.440 2.044 20 30 EEEDLO CCOC1CC(C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)C1 ZINC001038214912 1229690554 /nfs/dbraw/zinc/69/05/54/1229690554.db2.gz BXGVVLZMIZXGAL-JLAWEPINSA-N 1 2 326.440 2.044 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+]1Cc1cnc(C)s1 ZINC001038344152 1229758019 /nfs/dbraw/zinc/75/80/19/1229758019.db2.gz FAQHTAKMZHYYOS-AWEZNQCLSA-N 1 2 330.457 2.443 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cnc(C)s1 ZINC001038344152 1229758021 /nfs/dbraw/zinc/75/80/21/1229758021.db2.gz FAQHTAKMZHYYOS-AWEZNQCLSA-N 1 2 330.457 2.443 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]1Cc1oc(C)nc1C ZINC001038344543 1229758515 /nfs/dbraw/zinc/75/85/15/1229758515.db2.gz IHNAUGRAZIVXCX-OAHLLOKOSA-N 1 2 328.416 2.283 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]1Cc1oc(C)nc1C ZINC001038344543 1229758517 /nfs/dbraw/zinc/75/85/17/1229758517.db2.gz IHNAUGRAZIVXCX-OAHLLOKOSA-N 1 2 328.416 2.283 20 30 EEEDLO CCc1c(C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)ccn1C ZINC001038699568 1229984070 /nfs/dbraw/zinc/98/40/70/1229984070.db2.gz NOGAEFKFDJRGPJ-GOSISDBHSA-N 1 2 335.451 2.443 20 30 EEEDLO CCc1c(C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)ccn1C ZINC001038699568 1229984074 /nfs/dbraw/zinc/98/40/74/1229984074.db2.gz NOGAEFKFDJRGPJ-GOSISDBHSA-N 1 2 335.451 2.443 20 30 EEEDLO C#CCOc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2cncc(C)c2)cc1 ZINC001038779126 1230047900 /nfs/dbraw/zinc/04/79/00/1230047900.db2.gz RCBIRUQOPAGXKJ-LJQANCHMSA-N 1 2 349.434 2.406 20 30 EEEDLO C#CCOc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cncc(C)c2)cc1 ZINC001038779126 1230047903 /nfs/dbraw/zinc/04/79/03/1230047903.db2.gz RCBIRUQOPAGXKJ-LJQANCHMSA-N 1 2 349.434 2.406 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@H]1[C@H]1CC[N@H+](Cc2csnn2)C1 ZINC001039200177 1230427096 /nfs/dbraw/zinc/42/70/96/1230427096.db2.gz HRDMYTDFXKTZPH-RDJZCZTQSA-N 1 2 344.484 2.155 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@H]1[C@H]1CC[N@@H+](Cc2csnn2)C1 ZINC001039200177 1230427098 /nfs/dbraw/zinc/42/70/98/1230427098.db2.gz HRDMYTDFXKTZPH-RDJZCZTQSA-N 1 2 344.484 2.155 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2cncc2C1 ZINC001039396918 1230579933 /nfs/dbraw/zinc/57/99/33/1230579933.db2.gz NBYVQNSFGBLMGE-XHSDSOJGSA-N 1 2 348.878 2.263 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2cncc2C1 ZINC001039396918 1230579936 /nfs/dbraw/zinc/57/99/36/1230579936.db2.gz NBYVQNSFGBLMGE-XHSDSOJGSA-N 1 2 348.878 2.263 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)c2cnco2)s1 ZINC001039412925 1230593773 /nfs/dbraw/zinc/59/37/73/1230593773.db2.gz LJALNLINEHJFLF-OLZOCXBDSA-N 1 2 342.424 2.487 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)c2cnco2)s1 ZINC001039412925 1230593775 /nfs/dbraw/zinc/59/37/75/1230593775.db2.gz LJALNLINEHJFLF-OLZOCXBDSA-N 1 2 342.424 2.487 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1cncn1C ZINC001039465226 1230630734 /nfs/dbraw/zinc/63/07/34/1230630734.db2.gz VKQYSCMHXOCTHH-ZBFHGGJFSA-N 1 2 336.867 2.171 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1cncn1C ZINC001039465226 1230630735 /nfs/dbraw/zinc/63/07/35/1230630735.db2.gz VKQYSCMHXOCTHH-ZBFHGGJFSA-N 1 2 336.867 2.171 20 30 EEEDLO CC1(Nc2ncccc2C#N)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001067303798 1230852424 /nfs/dbraw/zinc/85/24/24/1230852424.db2.gz SFVZNXADAOQZJA-UHFFFAOYSA-N 1 2 338.415 2.102 20 30 EEEDLO CC1(Nc2ncccc2C#N)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001067303798 1230852430 /nfs/dbraw/zinc/85/24/30/1230852430.db2.gz SFVZNXADAOQZJA-UHFFFAOYSA-N 1 2 338.415 2.102 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@H](C)[C@H](CNc3cc[nH+]c(C)n3)C2)c1 ZINC001039893236 1230892731 /nfs/dbraw/zinc/89/27/31/1230892731.db2.gz OUBRXDPEZLGBBU-KBXCAEBGSA-N 1 2 349.438 2.372 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3C[C@H](F)CC)nc1 ZINC001039979335 1230946431 /nfs/dbraw/zinc/94/64/31/1230946431.db2.gz QOHITSJDZDZYMV-ZACQAIPSSA-N 1 2 329.419 2.490 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C[C@H](F)CC)nc1 ZINC001039979335 1230946435 /nfs/dbraw/zinc/94/64/35/1230946435.db2.gz QOHITSJDZDZYMV-ZACQAIPSSA-N 1 2 329.419 2.490 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@@H]1C ZINC001040156905 1231063303 /nfs/dbraw/zinc/06/33/03/1231063303.db2.gz HCMYRRFOUQSLDI-KSSFIOAISA-N 1 2 334.423 2.410 20 30 EEEDLO Cc1nc(N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2ccc(C#N)[nH]2)C3)cc[nH+]1 ZINC001054810990 1249125792 /nfs/dbraw/zinc/12/57/92/1249125792.db2.gz AJEQOXOGNSGLON-QEJZJMRPSA-N 1 2 336.399 2.090 20 30 EEEDLO CC(C)c1nnc(C[N@@H+]2CC[C@@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)s1 ZINC001041136662 1231449453 /nfs/dbraw/zinc/44/94/53/1231449453.db2.gz NETLCJSOKSORGQ-CXAGYDPISA-N 1 2 347.488 2.246 20 30 EEEDLO CC(C)c1nnc(C[N@H+]2CC[C@@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)s1 ZINC001041136662 1231449455 /nfs/dbraw/zinc/44/94/55/1231449455.db2.gz NETLCJSOKSORGQ-CXAGYDPISA-N 1 2 347.488 2.246 20 30 EEEDLO Cc1nc(N[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C23CCC3)cc[nH+]1 ZINC001041589013 1231611835 /nfs/dbraw/zinc/61/18/35/1231611835.db2.gz ZABWOZLVWHOZLH-GJZGRUSLSA-N 1 2 336.399 2.138 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)cs1 ZINC001042045214 1231850643 /nfs/dbraw/zinc/85/06/43/1231850643.db2.gz VJWZVIGETZWSRE-RDJZCZTQSA-N 1 2 329.469 2.288 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)cs1 ZINC001042045214 1231850645 /nfs/dbraw/zinc/85/06/45/1231850645.db2.gz VJWZVIGETZWSRE-RDJZCZTQSA-N 1 2 329.469 2.288 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)[nH]3)[C@H]2C1 ZINC001042185577 1231944407 /nfs/dbraw/zinc/94/44/07/1231944407.db2.gz VFOXFYZDQYPIPF-CABCVRRESA-N 1 2 331.464 2.138 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)[nH]3)[C@H]2C1 ZINC001042185577 1231944409 /nfs/dbraw/zinc/94/44/09/1231944409.db2.gz VFOXFYZDQYPIPF-CABCVRRESA-N 1 2 331.464 2.138 20 30 EEEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001042589097 1232113832 /nfs/dbraw/zinc/11/38/32/1232113832.db2.gz DYPAEHKQYAPCBW-UHFFFAOYSA-N 1 2 333.395 2.324 20 30 EEEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+]([C@H]2CCc3ccc(F)cc32)C1 ZINC001042630725 1232125462 /nfs/dbraw/zinc/12/54/62/1232125462.db2.gz MCSDEGFZPDWBSX-SFHVURJKSA-N 1 2 338.386 2.469 20 30 EEEDLO C=CCCCC(=O)NCCCN(CC)c1[nH+]cnc2c1cnn2C ZINC001095964258 1232658533 /nfs/dbraw/zinc/65/85/33/1232658533.db2.gz HPCWIYFTGWKBEO-UHFFFAOYSA-N 1 2 330.436 2.052 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](Cc3ccc(CF)cc3)C2)nc1 ZINC001044198847 1232784018 /nfs/dbraw/zinc/78/40/18/1232784018.db2.gz ANWLUAQQBCDUGV-UHFFFAOYSA-N 1 2 337.398 2.489 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(CC)c1nc(C)[nH+]c(C)c1C ZINC001095972188 1232824638 /nfs/dbraw/zinc/82/46/38/1232824638.db2.gz JCYUSALIEPSHTG-SJORKVTESA-N 1 2 346.475 2.326 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(C(F)F)no1 ZINC001045149865 1233539278 /nfs/dbraw/zinc/53/92/78/1233539278.db2.gz WIOHMBAKBXDYFH-JTQLQIEISA-N 1 2 328.363 2.300 20 30 EEEDLO C#Cc1ccc(C(=O)NC2(C)CC[NH+](Cc3nonc3C)CC2)cc1 ZINC001045520470 1233791234 /nfs/dbraw/zinc/79/12/34/1233791234.db2.gz FQCYZBUXXDGWKZ-UHFFFAOYSA-N 1 2 338.411 2.144 20 30 EEEDLO C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCc3[nH]ncc31)C2 ZINC001045941707 1234199665 /nfs/dbraw/zinc/19/96/65/1234199665.db2.gz LYBMWTYQAXDOKK-OXJNMPFZSA-N 1 2 340.471 2.167 20 30 EEEDLO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCc3[nH]ncc31)C2 ZINC001045941707 1234199667 /nfs/dbraw/zinc/19/96/67/1234199667.db2.gz LYBMWTYQAXDOKK-OXJNMPFZSA-N 1 2 340.471 2.167 20 30 EEEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CCC3CCCCCC3)CC2)C1 ZINC001046044522 1234367647 /nfs/dbraw/zinc/36/76/47/1234367647.db2.gz XUCALVIRGUQHKI-IBGZPJMESA-N 1 2 346.519 2.479 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)cs1 ZINC001046247103 1234592188 /nfs/dbraw/zinc/59/21/88/1234592188.db2.gz AOLMRKZSLFFMLH-MRXNPFEDSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)cs1 ZINC001046247103 1234592191 /nfs/dbraw/zinc/59/21/91/1234592191.db2.gz AOLMRKZSLFFMLH-MRXNPFEDSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1nc(C(=O)N[C@]2(C)CC[N@H+](CC#Cc3ccc(F)cc3)C2)co1 ZINC001046253902 1234597841 /nfs/dbraw/zinc/59/78/41/1234597841.db2.gz GBXGQDWDNGODTD-LJQANCHMSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1nc(C(=O)N[C@]2(C)CC[N@@H+](CC#Cc3ccc(F)cc3)C2)co1 ZINC001046253902 1234597843 /nfs/dbraw/zinc/59/78/43/1234597843.db2.gz GBXGQDWDNGODTD-LJQANCHMSA-N 1 2 341.386 2.368 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001046318078 1234663161 /nfs/dbraw/zinc/66/31/61/1234663161.db2.gz APJITLAVKNNMAH-GJYPPUQNSA-N 1 2 347.459 2.353 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001046318078 1234663162 /nfs/dbraw/zinc/66/31/62/1234663162.db2.gz APJITLAVKNNMAH-GJYPPUQNSA-N 1 2 347.459 2.353 20 30 EEEDLO C[C@]1(NC(=O)c2ccns2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046355526 1234699734 /nfs/dbraw/zinc/69/97/34/1234699734.db2.gz IEKAHXVYASXXTQ-KRWDZBQOSA-N 1 2 326.425 2.409 20 30 EEEDLO C[C@]1(NC(=O)c2ccns2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046355526 1234699736 /nfs/dbraw/zinc/69/97/36/1234699736.db2.gz IEKAHXVYASXXTQ-KRWDZBQOSA-N 1 2 326.425 2.409 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N(C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001096098448 1234826525 /nfs/dbraw/zinc/82/65/25/1234826525.db2.gz OHTHDLJKHOUJAK-CQSZACIVSA-N 1 2 332.448 2.193 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001046849526 1235246860 /nfs/dbraw/zinc/24/68/60/1235246860.db2.gz VBYFWXLHAGHXIE-KRWDZBQOSA-N 1 2 347.850 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001046849526 1235246864 /nfs/dbraw/zinc/24/68/64/1235246864.db2.gz VBYFWXLHAGHXIE-KRWDZBQOSA-N 1 2 347.850 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001046915635 1235303077 /nfs/dbraw/zinc/30/30/77/1235303077.db2.gz ASWYDJQKRYXNEW-NSHDSACASA-N 1 2 346.809 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001046915635 1235303080 /nfs/dbraw/zinc/30/30/80/1235303080.db2.gz ASWYDJQKRYXNEW-NSHDSACASA-N 1 2 346.809 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC001046923943 1235312460 /nfs/dbraw/zinc/31/24/60/1235312460.db2.gz CPWRUSKDDHVNRK-LLVKDONJSA-N 1 2 332.782 2.158 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC001046923943 1235312456 /nfs/dbraw/zinc/31/24/56/1235312456.db2.gz CPWRUSKDDHVNRK-LLVKDONJSA-N 1 2 332.782 2.158 20 30 EEEDLO CCn1cncc1/C=C1\CN(C)C/C(=C\c2c[nH+]cn2CC)C1=O ZINC000901416765 1235751401 /nfs/dbraw/zinc/75/14/01/1235751401.db2.gz IUTUNQPTJIRTSQ-MKFXEVHTSA-N 1 2 325.416 2.101 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096177570 1235823062 /nfs/dbraw/zinc/82/30/62/1235823062.db2.gz UILUOYYRFYNUEQ-HNAYVOBHSA-N 1 2 346.475 2.321 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]([NH2+]Cc2nc(C3CC3)no2)[C@@H](C)C1 ZINC001054970735 1249493249 /nfs/dbraw/zinc/49/32/49/1249493249.db2.gz HRFFLVHJNSAECX-JSGCOSHPSA-N 1 2 332.448 2.486 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC001054975823 1249500752 /nfs/dbraw/zinc/50/07/52/1249500752.db2.gz GMKXJMSQINBSOL-TZMCWYRMSA-N 1 2 344.415 2.478 20 30 EEEDLO Cc1cc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)nn1-c1cccc(C#N)c1 ZINC000802235508 1237149003 /nfs/dbraw/zinc/14/90/03/1237149003.db2.gz NTLRFMXJIQPKID-MRXNPFEDSA-N 1 2 342.374 2.253 20 30 EEEDLO Cc1cc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)nn1-c1cccc(C#N)c1 ZINC000802235508 1237149005 /nfs/dbraw/zinc/14/90/05/1237149005.db2.gz NTLRFMXJIQPKID-MRXNPFEDSA-N 1 2 342.374 2.253 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056424093 1239358105 /nfs/dbraw/zinc/35/81/05/1239358105.db2.gz WONVZQUDYDPLMX-GJZGRUSLSA-N 1 2 344.459 2.146 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056520717 1239427907 /nfs/dbraw/zinc/42/79/07/1239427907.db2.gz HTORHLUEZSDTBO-OAGGEKHMSA-N 1 2 344.459 2.146 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](Nc4ccc(C#N)nc4)C3)ccn12 ZINC001056707904 1239698694 /nfs/dbraw/zinc/69/86/94/1239698694.db2.gz CGDMIVQGASXCMS-QGZVFWFLSA-N 1 2 346.394 2.236 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)C[C@@H]2C1 ZINC001049026636 1239790549 /nfs/dbraw/zinc/79/05/49/1239790549.db2.gz UMLYKJPCAMOFOS-KHYOSLBOSA-N 1 2 345.491 2.421 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)C[C@@H]2C1 ZINC001049026636 1239790553 /nfs/dbraw/zinc/79/05/53/1239790553.db2.gz UMLYKJPCAMOFOS-KHYOSLBOSA-N 1 2 345.491 2.421 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(NC(N)=O)c1)C2 ZINC001096517096 1240770326 /nfs/dbraw/zinc/77/03/26/1240770326.db2.gz HDOFYAGZBAAGHN-ILXRZTDVSA-N 1 2 348.834 2.265 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(NC(N)=O)c1)C2 ZINC001096517096 1240770332 /nfs/dbraw/zinc/77/03/32/1240770332.db2.gz HDOFYAGZBAAGHN-ILXRZTDVSA-N 1 2 348.834 2.265 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccon1 ZINC001049482432 1241087457 /nfs/dbraw/zinc/08/74/57/1241087457.db2.gz XRKXFSZYXIUYMR-XDNAFOTISA-N 1 2 345.443 2.221 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccon1 ZINC001049482432 1241087466 /nfs/dbraw/zinc/08/74/66/1241087466.db2.gz XRKXFSZYXIUYMR-XDNAFOTISA-N 1 2 345.443 2.221 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cccn3nccc23)CC1 ZINC001000907247 1241176478 /nfs/dbraw/zinc/17/64/78/1241176478.db2.gz QOIPUCKLBHINJR-UHFFFAOYSA-N 1 2 330.819 2.449 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cccn3nccc23)CC1 ZINC001000907247 1241176492 /nfs/dbraw/zinc/17/64/92/1241176492.db2.gz QOIPUCKLBHINJR-UHFFFAOYSA-N 1 2 330.819 2.449 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnco1 ZINC001049619466 1241661961 /nfs/dbraw/zinc/66/19/61/1241661961.db2.gz CRCBNZHLKHIHJT-VXGBXAGGSA-N 1 2 340.221 2.262 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnco1 ZINC001049619466 1241661964 /nfs/dbraw/zinc/66/19/64/1241661964.db2.gz CRCBNZHLKHIHJT-VXGBXAGGSA-N 1 2 340.221 2.262 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1nn(CC)nc1C ZINC001049649163 1241758407 /nfs/dbraw/zinc/75/84/07/1241758407.db2.gz ZWEQXDLGJRAYJQ-DLBZAZTESA-N 1 2 345.491 2.384 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1nn(CC)nc1C ZINC001049649163 1241758418 /nfs/dbraw/zinc/75/84/18/1241758418.db2.gz ZWEQXDLGJRAYJQ-DLBZAZTESA-N 1 2 345.491 2.384 20 30 EEEDLO Cc1nc(NC2CCC(N(C)C(=O)c3cc(C#N)c[nH]3)CC2)cc[nH+]1 ZINC001067908034 1249940064 /nfs/dbraw/zinc/94/00/64/1249940064.db2.gz VENBQUBXLJOCLX-UHFFFAOYSA-N 1 2 338.415 2.480 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC[C@H](Nc1cc[nH+]c(C)n1)C1CC1 ZINC001096707176 1243134987 /nfs/dbraw/zinc/13/49/87/1243134987.db2.gz WZNJERYMPZZMPS-SFHVURJKSA-N 1 2 334.423 2.316 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@H](Nc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001096728149 1243172393 /nfs/dbraw/zinc/17/23/93/1243172393.db2.gz JLFYKAPQOHYVQP-ZBFHGGJFSA-N 1 2 344.459 2.253 20 30 EEEDLO C[C@@H](CC(=O)NC[C@H](Nc1ncccc1C#N)C1CC1)n1cc[nH+]c1 ZINC001096820481 1243327221 /nfs/dbraw/zinc/32/72/21/1243327221.db2.gz TYGXFOVTVZZVFS-BBRMVZONSA-N 1 2 338.415 2.108 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3n[nH]cc31)C2 ZINC001097078139 1243674862 /nfs/dbraw/zinc/67/48/62/1243674862.db2.gz OYYNSDCUCXJGTG-BHTHQVBYSA-N 1 2 334.851 2.304 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3n[nH]cc31)C2 ZINC001097078139 1243674871 /nfs/dbraw/zinc/67/48/71/1243674871.db2.gz OYYNSDCUCXJGTG-BHTHQVBYSA-N 1 2 334.851 2.304 20 30 EEEDLO N#Cc1c(F)cccc1NC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001057433856 1243762088 /nfs/dbraw/zinc/76/20/88/1243762088.db2.gz TURCVWPJQYHPDQ-UHFFFAOYSA-N 1 2 327.363 2.066 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097331921 1244007715 /nfs/dbraw/zinc/00/77/15/1244007715.db2.gz NOBDJCMGPVCEHX-QFBILLFUSA-N 1 2 346.475 2.346 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001097376684 1244071209 /nfs/dbraw/zinc/07/12/09/1244071209.db2.gz NXNPBQPPHWLOJO-HNNXBMFYSA-N 1 2 346.479 2.253 20 30 EEEDLO Cc1nc(N[C@@H](C)CNC(=O)c2c[nH]c(C#N)c2)c2c([nH+]1)CCCC2 ZINC001097766643 1244585826 /nfs/dbraw/zinc/58/58/26/1244585826.db2.gz PPNQMCRTSZMLNB-NSHDSACASA-N 1 2 338.415 2.094 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1c(Cl)n[nH]c1CC ZINC001050953496 1244714297 /nfs/dbraw/zinc/71/42/97/1244714297.db2.gz FDXPPKRMDZBQDA-GFCCVEGCSA-N 1 2 340.855 2.022 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(Cl)n[nH]c1CC ZINC001050953496 1244714305 /nfs/dbraw/zinc/71/43/05/1244714305.db2.gz FDXPPKRMDZBQDA-GFCCVEGCSA-N 1 2 340.855 2.022 20 30 EEEDLO C=CCOc1ccccc1C(=O)NC[C@H]1COCC[N@H+]1CCCC ZINC001050989385 1244796355 /nfs/dbraw/zinc/79/63/55/1244796355.db2.gz OIRAIMWMHGLIQN-INIZCTEOSA-N 1 2 332.444 2.482 20 30 EEEDLO C=CCOc1ccccc1C(=O)NC[C@H]1COCC[N@@H+]1CCCC ZINC001050989385 1244796359 /nfs/dbraw/zinc/79/63/59/1244796359.db2.gz OIRAIMWMHGLIQN-INIZCTEOSA-N 1 2 332.444 2.482 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(C)onc1C1CC1 ZINC001051025483 1244870354 /nfs/dbraw/zinc/87/03/54/1244870354.db2.gz JSSVYMWSFFXNEK-OAHLLOKOSA-N 1 2 333.432 2.257 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1c(C)onc1C1CC1 ZINC001051025483 1244870363 /nfs/dbraw/zinc/87/03/63/1244870363.db2.gz JSSVYMWSFFXNEK-OAHLLOKOSA-N 1 2 333.432 2.257 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001051061711 1244928383 /nfs/dbraw/zinc/92/83/83/1244928383.db2.gz UTDPLTWYUADZDY-HOTGVXAUSA-N 1 2 346.475 2.229 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(F)cc(Cl)c1 ZINC001051135312 1245026505 /nfs/dbraw/zinc/02/65/05/1245026505.db2.gz LTEAEOAJPNEIQC-HNNXBMFYSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(F)cc(Cl)c1 ZINC001051135312 1245026513 /nfs/dbraw/zinc/02/65/13/1245026513.db2.gz LTEAEOAJPNEIQC-HNNXBMFYSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C)nc1OCCC ZINC001051185162 1245362178 /nfs/dbraw/zinc/36/21/78/1245362178.db2.gz ONMHWYLPXXPPHD-MRXNPFEDSA-N 1 2 347.459 2.186 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C)nc1OCCC ZINC001051185162 1245362181 /nfs/dbraw/zinc/36/21/81/1245362181.db2.gz ONMHWYLPXXPPHD-MRXNPFEDSA-N 1 2 347.459 2.186 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(CCC(C)C)c1C ZINC001051203222 1245384593 /nfs/dbraw/zinc/38/45/93/1245384593.db2.gz OYYVKUUMAQDGDK-QGZVFWFLSA-N 1 2 348.491 2.244 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(CCC(C)C)c1C ZINC001051203222 1245384599 /nfs/dbraw/zinc/38/45/99/1245384599.db2.gz OYYVKUUMAQDGDK-QGZVFWFLSA-N 1 2 348.491 2.244 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CCN1c1ccc(C#N)nc1 ZINC001051219829 1245407588 /nfs/dbraw/zinc/40/75/88/1245407588.db2.gz AWNXHZCUJODRAS-WBMJQRKESA-N 1 2 346.394 2.227 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(OC)cc(OC)c1 ZINC001051225872 1245413475 /nfs/dbraw/zinc/41/34/75/1245413475.db2.gz JZVOVUQUOXGHDA-INIZCTEOSA-N 1 2 348.443 2.101 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(OC)cc(OC)c1 ZINC001051225872 1245413478 /nfs/dbraw/zinc/41/34/78/1245413478.db2.gz JZVOVUQUOXGHDA-INIZCTEOSA-N 1 2 348.443 2.101 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001052900928 1245459845 /nfs/dbraw/zinc/45/98/45/1245459845.db2.gz CLPJNHOBVDNYPT-UKRRQHHQSA-N 1 2 340.427 2.353 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001051323485 1245544483 /nfs/dbraw/zinc/54/44/83/1245544483.db2.gz RGHLQVQACQOWDI-GJZGRUSLSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001051323485 1245544491 /nfs/dbraw/zinc/54/44/91/1245544491.db2.gz RGHLQVQACQOWDI-GJZGRUSLSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C)n3CC)C[C@@]2(C)C1 ZINC001101253143 1245575429 /nfs/dbraw/zinc/57/54/29/1245575429.db2.gz GYKDHLRXXKYVSG-APWZRJJASA-N 1 2 345.491 2.243 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C)n3CC)C[C@@]2(C)C1 ZINC001101253143 1245575438 /nfs/dbraw/zinc/57/54/38/1245575438.db2.gz GYKDHLRXXKYVSG-APWZRJJASA-N 1 2 345.491 2.243 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NCCN(c1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001101331324 1245672301 /nfs/dbraw/zinc/67/23/01/1245672301.db2.gz YPXMAFQQNDUNJU-IBGZPJMESA-N 1 2 346.475 2.321 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C)o3)C[C@@]2(C)C1 ZINC001101337954 1245681840 /nfs/dbraw/zinc/68/18/40/1245681840.db2.gz ROVUSFCRASIHCG-DAYGRLMNSA-N 1 2 332.448 2.261 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C)o3)C[C@@]2(C)C1 ZINC001101337954 1245681846 /nfs/dbraw/zinc/68/18/46/1245681846.db2.gz ROVUSFCRASIHCG-DAYGRLMNSA-N 1 2 332.448 2.261 20 30 EEEDLO C=CCC1(C(=O)N[C@@H](C)[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CCC1 ZINC001051670998 1246006612 /nfs/dbraw/zinc/00/66/12/1246006612.db2.gz BZDHQMSVDNWGET-GJZGRUSLSA-N 1 2 344.459 2.052 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H](C)C(C)C)c1nccn12 ZINC001101615354 1246038020 /nfs/dbraw/zinc/03/80/20/1246038020.db2.gz HXRVOMKWYPHUHL-JKSUJKDBSA-N 1 2 328.460 2.161 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](CC)CC(F)F)c1nccn12 ZINC001101630531 1246060523 /nfs/dbraw/zinc/06/05/23/1246060523.db2.gz JMABSVHMWBOTBS-STQMWFEESA-N 1 2 338.402 2.322 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CCC(F)(F)C1)CCO2 ZINC001053281940 1246137798 /nfs/dbraw/zinc/13/77/98/1246137798.db2.gz BDEDLJDXDKDHCU-AWEZNQCLSA-N 1 2 328.403 2.301 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](N2CC[NH+](CC#CC)CC2)C1 ZINC001052033961 1246399625 /nfs/dbraw/zinc/39/96/25/1246399625.db2.gz XYOIHAUVYLRTFV-INIZCTEOSA-N 1 2 337.895 2.007 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccsc3)C2)CC1 ZINC001052037564 1246405756 /nfs/dbraw/zinc/40/57/56/1246405756.db2.gz NOWTYBBDEIJLGD-SFHVURJKSA-N 1 2 347.528 2.475 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCC3(F)F)C2)CC1 ZINC001052040368 1246410223 /nfs/dbraw/zinc/41/02/23/1246410223.db2.gz DXFNKERITWWTSC-KBPBESRZSA-N 1 2 347.837 2.003 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)CC(C)(F)F)C2)CC1 ZINC001052077510 1246454100 /nfs/dbraw/zinc/45/41/00/1246454100.db2.gz SYDIQDDRORBMJM-CYBMUJFWSA-N 1 2 335.826 2.003 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C)ccc3F)C2)CC1 ZINC001052086769 1246464901 /nfs/dbraw/zinc/46/49/01/1246464901.db2.gz HZXGLMZDFMJGCR-INIZCTEOSA-N 1 2 331.435 2.152 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)CC3CCCCC3)C2)CC1 ZINC001052094458 1246474832 /nfs/dbraw/zinc/47/48/32/1246474832.db2.gz TULOVRFSKMFVOZ-AZUAARDMSA-N 1 2 345.531 2.445 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3sccc3C3CC3)C2)CC1 ZINC001052115109 1246498894 /nfs/dbraw/zinc/49/88/94/1246498894.db2.gz SWVHKUZWUQYTRH-INIZCTEOSA-N 1 2 343.496 2.091 20 30 EEEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3sccc3C3CC3)C2)CC1 ZINC001052115109 1246498898 /nfs/dbraw/zinc/49/88/98/1246498898.db2.gz SWVHKUZWUQYTRH-INIZCTEOSA-N 1 2 343.496 2.091 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3(CC)CCCCC3)C2)CC1 ZINC001052120128 1246504428 /nfs/dbraw/zinc/50/44/28/1246504428.db2.gz ZDAAZVUSOGCJOJ-GOSISDBHSA-N 1 2 331.504 2.199 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)C[C@H](C)C3CC3)C2)CC1 ZINC001052121908 1246508545 /nfs/dbraw/zinc/50/85/45/1246508545.db2.gz KFBDRIQPKVRYFV-YOEHRIQHSA-N 1 2 339.911 2.394 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC001052123068 1246509883 /nfs/dbraw/zinc/50/98/83/1246509883.db2.gz ATJDZTXWXTUOQH-QZTJIDSGSA-N 1 2 331.504 2.055 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(C)noc1C(F)F)O2 ZINC001053614289 1246536077 /nfs/dbraw/zinc/53/60/77/1246536077.db2.gz IJTXUTYFSJJXQM-NSHDSACASA-N 1 2 341.358 2.070 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001052188654 1246613050 /nfs/dbraw/zinc/61/30/50/1246613050.db2.gz RJHPRWNIINXLBF-DZGCQCFKSA-N 1 2 340.427 2.353 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(COC)c(F)c1)O2 ZINC001053692399 1246660157 /nfs/dbraw/zinc/66/01/57/1246660157.db2.gz ORWZBUZGBGTXJQ-INIZCTEOSA-N 1 2 348.418 2.121 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001053826368 1246856029 /nfs/dbraw/zinc/85/60/29/1246856029.db2.gz WWLMAAQXSBIXNT-ACHSLPGTSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnn1C(CC)CC)CO2 ZINC001053829246 1246858964 /nfs/dbraw/zinc/85/89/64/1246858964.db2.gz CPQBKNBOIDVZOT-OAHLLOKOSA-N 1 2 346.475 2.393 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)c1cccs1)CO2 ZINC001053891727 1246974600 /nfs/dbraw/zinc/97/46/00/1246974600.db2.gz XIVPRJMBBXSVDZ-AWEZNQCLSA-N 1 2 332.469 2.009 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc(C)nc1C(C)C)CO2 ZINC001053946241 1247050505 /nfs/dbraw/zinc/05/05/05/1247050505.db2.gz QSYFBTOYLNQITP-HNNXBMFYSA-N 1 2 344.459 2.058 20 30 EEEDLO 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EEEDLO C=CCC1(S(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001190796117 1281083660 /nfs/dbraw/zinc/08/36/60/1281083660.db2.gz ATXPLGHOYURMAB-UHFFFAOYSA-N 1 2 334.485 2.285 20 30 EEEDLO CC(C)(C)CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001191794058 1281621980 /nfs/dbraw/zinc/62/19/80/1281621980.db2.gz PYRZBTOUIGHAOP-RTBURBONSA-N 1 2 342.483 2.416 20 30 EEEDLO CC(C)(C)CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001191794058 1281621986 /nfs/dbraw/zinc/62/19/86/1281621986.db2.gz PYRZBTOUIGHAOP-RTBURBONSA-N 1 2 342.483 2.416 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cnnn3CC)C2)CCC1 ZINC001192218132 1281885423 /nfs/dbraw/zinc/88/54/23/1281885423.db2.gz NEYMZLFCEFHKTG-OAHLLOKOSA-N 1 2 331.464 2.077 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3cnnn3CC)C2)CCC1 ZINC001192218132 1281885438 /nfs/dbraw/zinc/88/54/38/1281885438.db2.gz NEYMZLFCEFHKTG-OAHLLOKOSA-N 1 2 331.464 2.077 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1O ZINC001192288256 1281914999 /nfs/dbraw/zinc/91/49/99/1281914999.db2.gz HSLQQOJHWUBUJT-IAGOWNOFSA-N 1 2 334.847 2.195 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1O ZINC001192288256 1281915000 /nfs/dbraw/zinc/91/50/00/1281915000.db2.gz HSLQQOJHWUBUJT-IAGOWNOFSA-N 1 2 334.847 2.195 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC=C(Cl)Cl)C1 ZINC001192425904 1281967859 /nfs/dbraw/zinc/96/78/59/1281967859.db2.gz JWNPKAIOBIFLHG-XQQFMLRXSA-N 1 2 333.259 2.429 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC=C(Cl)Cl)C1 ZINC001192425904 1281967861 /nfs/dbraw/zinc/96/78/61/1281967861.db2.gz JWNPKAIOBIFLHG-XQQFMLRXSA-N 1 2 333.259 2.429 20 30 EEEDLO CC#CC[N@H+](C)[C@H]1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 ZINC001192454713 1281990411 /nfs/dbraw/zinc/99/04/11/1281990411.db2.gz JIYZTACHJLPEJH-ZDUSSCGKSA-N 1 2 328.441 2.308 20 30 EEEDLO CC#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 ZINC001192454713 1281990414 /nfs/dbraw/zinc/99/04/14/1281990414.db2.gz JIYZTACHJLPEJH-ZDUSSCGKSA-N 1 2 328.441 2.308 20 30 EEEDLO COC[C@H](C)CC(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001193156774 1282361939 /nfs/dbraw/zinc/36/19/39/1282361939.db2.gz VBYRYUXVBDMGDG-KDOFPFPSSA-N 1 2 347.434 2.403 20 30 EEEDLO COC[C@H](C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001193156774 1282361949 /nfs/dbraw/zinc/36/19/49/1282361949.db2.gz VBYRYUXVBDMGDG-KDOFPFPSSA-N 1 2 347.434 2.403 20 30 EEEDLO CC(C)(C)C(=O)C[NH+]1CCC(NC(=O)c2ccc(O)c(C#N)c2)CC1 ZINC001193515625 1282558644 /nfs/dbraw/zinc/55/86/44/1282558644.db2.gz QDXGZFBTIHGGEV-UHFFFAOYSA-N 1 2 343.427 2.073 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cnc(Cl)c(OC)c1 ZINC001273665851 1282747480 /nfs/dbraw/zinc/74/74/80/1282747480.db2.gz LDOPNBRCRMDDPP-GOSISDBHSA-N 1 2 347.846 2.334 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cnc(Cl)c(OC)c1 ZINC001273665851 1282747487 /nfs/dbraw/zinc/74/74/87/1282747487.db2.gz LDOPNBRCRMDDPP-GOSISDBHSA-N 1 2 347.846 2.334 20 30 EEEDLO Cc1conc1C[N@@H+](C)[C@@H]1CCN(C(=O)CC#Cc2ccccc2)C1 ZINC001194192137 1282937557 /nfs/dbraw/zinc/93/75/57/1282937557.db2.gz QRDXZXRFYHXBTA-GOSISDBHSA-N 1 2 337.423 2.458 20 30 EEEDLO Cc1conc1C[N@H+](C)[C@@H]1CCN(C(=O)CC#Cc2ccccc2)C1 ZINC001194192137 1282937563 /nfs/dbraw/zinc/93/75/63/1282937563.db2.gz QRDXZXRFYHXBTA-GOSISDBHSA-N 1 2 337.423 2.458 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)c2cn(Cc3ccccc3F)cn2)CC1 ZINC001194625001 1283204571 /nfs/dbraw/zinc/20/45/71/1283204571.db2.gz LKEHXQZCHWLLQV-UHFFFAOYSA-N 1 2 328.391 2.014 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)c2cccc(-c3csc(N)n3)c2)CC1 ZINC001194707264 1283265624 /nfs/dbraw/zinc/26/56/24/1283265624.db2.gz BFSAFIZLQQVUAJ-UHFFFAOYSA-N 1 2 328.441 2.336 20 30 EEEDLO CCO[C@H](CC)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001195117134 1283455774 /nfs/dbraw/zinc/45/57/74/1283455774.db2.gz VGZMFRHONMTWGD-MRXNPFEDSA-N 1 2 335.473 2.469 20 30 EEEDLO CCO[C@H](CC)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001195117134 1283455783 /nfs/dbraw/zinc/45/57/83/1283455783.db2.gz VGZMFRHONMTWGD-MRXNPFEDSA-N 1 2 335.473 2.469 20 30 EEEDLO COc1cccc(C[N@@H+]2CCCN(C(=O)C#CC(C)(C)C)CC2)n1 ZINC001195785861 1283739895 /nfs/dbraw/zinc/73/98/95/1283739895.db2.gz ZEQZSVYXGLUMNL-UHFFFAOYSA-N 1 2 329.444 2.174 20 30 EEEDLO COc1cccc(C[N@H+]2CCCN(C(=O)C#CC(C)(C)C)CC2)n1 ZINC001195785861 1283739904 /nfs/dbraw/zinc/73/99/04/1283739904.db2.gz ZEQZSVYXGLUMNL-UHFFFAOYSA-N 1 2 329.444 2.174 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(OC)nn2)CC1 ZINC001196879879 1284310281 /nfs/dbraw/zinc/31/02/81/1284310281.db2.gz FFDFSDUWXXKBPK-OAHLLOKOSA-N 1 2 332.448 2.122 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(OC)nn2)CC1 ZINC001196879879 1284310292 /nfs/dbraw/zinc/31/02/92/1284310292.db2.gz FFDFSDUWXXKBPK-OAHLLOKOSA-N 1 2 332.448 2.122 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](CC(=O)N[C@@H](C)C2CC2)CC1 ZINC001196894731 1284346543 /nfs/dbraw/zinc/34/65/43/1284346543.db2.gz CDXUQIGOWJRYDI-HOTGVXAUSA-N 1 2 335.492 2.038 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](CC(=O)N[C@@H](C)C2CC2)CC1 ZINC001196894731 1284346554 /nfs/dbraw/zinc/34/65/54/1284346554.db2.gz CDXUQIGOWJRYDI-HOTGVXAUSA-N 1 2 335.492 2.038 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[N@H+](CC(=O)NCC3CCC3)CC2)CC1 ZINC001197043650 1284405358 /nfs/dbraw/zinc/40/53/58/1284405358.db2.gz KKTOVGWLFQOUPZ-UHFFFAOYSA-N 1 2 347.503 2.183 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[N@@H+](CC(=O)NCC3CCC3)CC2)CC1 ZINC001197043650 1284405364 /nfs/dbraw/zinc/40/53/64/1284405364.db2.gz KKTOVGWLFQOUPZ-UHFFFAOYSA-N 1 2 347.503 2.183 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+]([C@H](C)C(=O)NCC(C)C)CC1 ZINC001197037939 1284423989 /nfs/dbraw/zinc/42/39/89/1284423989.db2.gz SPEIKSNWTHNCHV-APWZRJJASA-N 1 2 337.508 2.284 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+]([C@H](C)C(=O)NCC(C)C)CC1 ZINC001197037939 1284423992 /nfs/dbraw/zinc/42/39/92/1284423992.db2.gz SPEIKSNWTHNCHV-APWZRJJASA-N 1 2 337.508 2.284 20 30 EEEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001197139716 1284453915 /nfs/dbraw/zinc/45/39/15/1284453915.db2.gz PHLJTGUORKZTLA-KFKAGJAMSA-N 1 2 346.446 2.165 20 30 EEEDLO CC[C@H](C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001197139716 1284453925 /nfs/dbraw/zinc/45/39/25/1284453925.db2.gz PHLJTGUORKZTLA-KFKAGJAMSA-N 1 2 346.446 2.165 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)CCCCC)CC1 ZINC001197354246 1284559648 /nfs/dbraw/zinc/55/96/48/1284559648.db2.gz QEWCQEFAEACRNM-KRWDZBQOSA-N 1 2 337.508 2.429 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)CCCCC)CC1 ZINC001197354246 1284559653 /nfs/dbraw/zinc/55/96/53/1284559653.db2.gz QEWCQEFAEACRNM-KRWDZBQOSA-N 1 2 337.508 2.429 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)CC2CCCC2)CC1 ZINC001197322841 1284566908 /nfs/dbraw/zinc/56/69/08/1284566908.db2.gz FUNJQRYJDYHCMD-MRXNPFEDSA-N 1 2 335.492 2.039 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)CC2CCCC2)CC1 ZINC001197322841 1284566915 /nfs/dbraw/zinc/56/69/15/1284566915.db2.gz FUNJQRYJDYHCMD-MRXNPFEDSA-N 1 2 335.492 2.039 20 30 EEEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C)CCCCCC)CC1 ZINC001197511070 1284644645 /nfs/dbraw/zinc/64/46/45/1284644645.db2.gz GNPXULYKADSBAW-ROUUACIJSA-N 1 2 349.519 2.265 20 30 EEEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)CCCCCC)CC1 ZINC001197511070 1284644653 /nfs/dbraw/zinc/64/46/53/1284644653.db2.gz GNPXULYKADSBAW-ROUUACIJSA-N 1 2 349.519 2.265 20 30 EEEDLO COC[C@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001197647148 1284726835 /nfs/dbraw/zinc/72/68/35/1284726835.db2.gz KPBRZSHXMCLVNW-OAHLLOKOSA-N 1 2 347.434 2.404 20 30 EEEDLO COC[C@H](C)CC(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001197647148 1284726845 /nfs/dbraw/zinc/72/68/45/1284726845.db2.gz KPBRZSHXMCLVNW-OAHLLOKOSA-N 1 2 347.434 2.404 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)cs1 ZINC001110500812 1284946026 /nfs/dbraw/zinc/94/60/26/1284946026.db2.gz NDSNEMLAUQEMFC-VWPFQQQWSA-N 1 2 335.473 2.000 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)cs1 ZINC001110500812 1284946034 /nfs/dbraw/zinc/94/60/34/1284946034.db2.gz NDSNEMLAUQEMFC-VWPFQQQWSA-N 1 2 335.473 2.000 20 30 EEEDLO CCCCCCCCC(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1O ZINC001198080880 1284960429 /nfs/dbraw/zinc/96/04/29/1284960429.db2.gz KCFYMMMKOBBKMV-IAGOWNOFSA-N 1 2 337.464 2.395 20 30 EEEDLO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1O ZINC001198080880 1284960431 /nfs/dbraw/zinc/96/04/31/1284960431.db2.gz KCFYMMMKOBBKMV-IAGOWNOFSA-N 1 2 337.464 2.395 20 30 EEEDLO CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001198313715 1285089536 /nfs/dbraw/zinc/08/95/36/1285089536.db2.gz YIUUKJYRQQRWIC-QZTJIDSGSA-N 1 2 329.444 2.190 20 30 EEEDLO CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001198313715 1285089539 /nfs/dbraw/zinc/08/95/39/1285089539.db2.gz YIUUKJYRQQRWIC-QZTJIDSGSA-N 1 2 329.444 2.190 20 30 EEEDLO COc1ccccc1[C@@H](CNC(=O)[C@@H](C)C#N)[NH2+]Cc1ccns1 ZINC001198617671 1285251366 /nfs/dbraw/zinc/25/13/66/1285251366.db2.gz QAOUCVFGRKSAAA-SWLSCSKDSA-N 1 2 344.440 2.258 20 30 EEEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)c1cncn1C)c1ccccc1OC ZINC001198786699 1285334514 /nfs/dbraw/zinc/33/45/14/1285334514.db2.gz XRMXJNBCCOVXTR-CQSZACIVSA-N 1 2 348.834 2.242 20 30 EEEDLO C=C(Cl)CN[C@@H](CNC(=O)Cn1cc[nH+]c1)c1ccccc1OC ZINC001199016198 1285469632 /nfs/dbraw/zinc/46/96/32/1285469632.db2.gz FAHNIOPNJXDKGX-HNNXBMFYSA-N 1 2 348.834 2.091 20 30 EEEDLO C#CCN1CC2(C[NH+](Cc3c(C)sc4ccccc43)C2)OCC1=O ZINC001273793038 1285884238 /nfs/dbraw/zinc/88/42/38/1285884238.db2.gz JFXGYEOUMWEVGA-UHFFFAOYSA-N 1 2 340.448 2.256 20 30 EEEDLO C=CCCC(=O)N1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001069757483 1286106302 /nfs/dbraw/zinc/10/63/02/1286106302.db2.gz DAQGJUFHOHJJLL-LJQANCHMSA-N 1 2 344.459 2.150 20 30 EEEDLO C=CCCC(=O)N1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001069757483 1286106307 /nfs/dbraw/zinc/10/63/07/1286106307.db2.gz DAQGJUFHOHJJLL-LJQANCHMSA-N 1 2 344.459 2.150 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCO[C@@H](CC)C3)c2C1 ZINC001069880295 1286212357 /nfs/dbraw/zinc/21/23/57/1286212357.db2.gz RPSTWEBNRFTBSB-WBVHZDCISA-N 1 2 346.475 2.096 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCO[C@@H](CC)C3)c2C1 ZINC001069880295 1286212360 /nfs/dbraw/zinc/21/23/60/1286212360.db2.gz RPSTWEBNRFTBSB-WBVHZDCISA-N 1 2 346.475 2.096 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001070925433 1286603681 /nfs/dbraw/zinc/60/36/81/1286603681.db2.gz GRDDCXSONOKZHT-MRXNPFEDSA-N 1 2 346.475 2.390 20 30 EEEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)c2ccccc2)CC1 ZINC001071016404 1286697491 /nfs/dbraw/zinc/69/74/91/1286697491.db2.gz MMFORQVISPHTTQ-QGZVFWFLSA-N 1 2 343.471 2.017 20 30 EEEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)c2ccccc2)CC1 ZINC001071016404 1286697505 /nfs/dbraw/zinc/69/75/05/1286697505.db2.gz MMFORQVISPHTTQ-QGZVFWFLSA-N 1 2 343.471 2.017 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1ocnc1C)C[C@H](C)O2 ZINC001071154369 1286880248 /nfs/dbraw/zinc/88/02/48/1286880248.db2.gz 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C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2ccccc2C(N)=O)CC[C@@H]1C ZINC001071731351 1294767077 /nfs/dbraw/zinc/76/70/77/1294767077.db2.gz CRRGNZJNYVECNY-DZGCQCFKSA-N 1 2 349.862 2.050 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2ccccc2C(N)=O)CC[C@@H]1C ZINC001071731351 1294767086 /nfs/dbraw/zinc/76/70/86/1294767086.db2.gz CRRGNZJNYVECNY-DZGCQCFKSA-N 1 2 349.862 2.050 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2c(C)c(C)n[nH]c2=O)CC[C@@H]1C ZINC001071731780 1294769796 /nfs/dbraw/zinc/76/97/96/1294769796.db2.gz JTEWXDPFWQAFCP-GXFFZTMASA-N 1 2 338.839 2.134 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2c(C)c(C)n[nH]c2=O)CC[C@@H]1C ZINC001071731780 1294769801 /nfs/dbraw/zinc/76/98/01/1294769801.db2.gz JTEWXDPFWQAFCP-GXFFZTMASA-N 1 2 338.839 2.134 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCOC)C1 ZINC001211164092 1295721593 /nfs/dbraw/zinc/72/15/93/1295721593.db2.gz OJTFYFJJYZKQHB-NQBHXWOUSA-N 1 2 333.270 2.004 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCOC)C1 ZINC001211164092 1295721601 /nfs/dbraw/zinc/72/16/01/1295721601.db2.gz OJTFYFJJYZKQHB-NQBHXWOUSA-N 1 2 333.270 2.004 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1OC ZINC001213319805 1295978252 /nfs/dbraw/zinc/97/82/52/1295978252.db2.gz CRNXTPHSZSPQBN-FSPWUOQZSA-N 1 2 347.459 2.470 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(C3CC3)no2)C[C@H]1OC ZINC001213319805 1295978256 /nfs/dbraw/zinc/97/82/56/1295978256.db2.gz CRNXTPHSZSPQBN-FSPWUOQZSA-N 1 2 347.459 2.470 20 30 EEEDLO COc1ccc([C@H]2CC[N@H+](Cn3nc(CC#N)n(C)c3=S)C2)cc1 ZINC000794628085 1296496521 /nfs/dbraw/zinc/49/65/21/1296496521.db2.gz XSAOGQQNQWSBOS-AWEZNQCLSA-N 1 2 343.456 2.473 20 30 EEEDLO COc1ccc([C@H]2CC[N@@H+](Cn3nc(CC#N)n(C)c3=S)C2)cc1 ZINC000794628085 1296496534 /nfs/dbraw/zinc/49/65/34/1296496534.db2.gz XSAOGQQNQWSBOS-AWEZNQCLSA-N 1 2 343.456 2.473 20 30 EEEDLO C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001214708342 1296567427 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YARCLXVWGFSRPZ-MSOLQXFVSA-N 1 2 343.471 2.436 20 30 EEEDLO CC(C)(C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001219362365 1297994099 /nfs/dbraw/zinc/99/40/99/1297994099.db2.gz YARCLXVWGFSRPZ-MSOLQXFVSA-N 1 2 343.471 2.436 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3c(C)cncc3C)C[C@@H]21 ZINC001074296054 1297996434 /nfs/dbraw/zinc/99/64/34/1297996434.db2.gz BJLATUOGVOCBFS-IRXDYDNUSA-N 1 2 329.444 2.190 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3c(C)cncc3C)C[C@@H]21 ZINC001074296054 1297996439 /nfs/dbraw/zinc/99/64/39/1297996439.db2.gz BJLATUOGVOCBFS-IRXDYDNUSA-N 1 2 329.444 2.190 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3cccs3)C[C@H]21 ZINC001074408103 1298100341 /nfs/dbraw/zinc/10/03/41/1298100341.db2.gz PWICZOUALAPYKE-SJORKVTESA-N 1 2 332.469 2.006 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3cccs3)C[C@H]21 ZINC001074408103 1298100345 /nfs/dbraw/zinc/10/03/45/1298100345.db2.gz PWICZOUALAPYKE-SJORKVTESA-N 1 2 332.469 2.006 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001220147875 1298269841 /nfs/dbraw/zinc/26/98/41/1298269841.db2.gz RCRVXDHKQMNPRN-LYRGGWFBSA-N 1 2 338.398 2.399 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001220147875 1298269852 /nfs/dbraw/zinc/26/98/52/1298269852.db2.gz RCRVXDHKQMNPRN-LYRGGWFBSA-N 1 2 338.398 2.399 20 30 EEEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O)c1ccccc1 ZINC001221029061 1298625474 /nfs/dbraw/zinc/62/54/74/1298625474.db2.gz JUPUFRIQOGNJLZ-CMADERHVSA-N 1 2 334.847 2.260 20 30 EEEDLO C=CC[C@H](C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O)c1ccccc1 ZINC001221029061 1298625484 /nfs/dbraw/zinc/62/54/84/1298625484.db2.gz JUPUFRIQOGNJLZ-CMADERHVSA-N 1 2 334.847 2.260 20 30 EEEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1nnc(C)[nH]1 ZINC001099060067 1298840722 /nfs/dbraw/zinc/84/07/22/1298840722.db2.gz GWSXUJHKPMKWNO-ZDUSSCGKSA-N 1 2 339.871 2.015 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1nnc(C)[nH]1 ZINC001099060067 1298840726 /nfs/dbraw/zinc/84/07/26/1298840726.db2.gz GWSXUJHKPMKWNO-ZDUSSCGKSA-N 1 2 339.871 2.015 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@@H+](Cc3cnc(C)cn3)C[C@H]21 ZINC001221579522 1298947407 /nfs/dbraw/zinc/94/74/07/1298947407.db2.gz IYAHHJQVVATRLM-NVXWUHKLSA-N 1 2 328.460 2.420 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@H+](Cc3cnc(C)cn3)C[C@H]21 ZINC001221579522 1298947414 /nfs/dbraw/zinc/94/74/14/1298947414.db2.gz IYAHHJQVVATRLM-NVXWUHKLSA-N 1 2 328.460 2.420 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC(C)(C)C)C[C@H]21 ZINC001221584881 1298952257 /nfs/dbraw/zinc/95/22/57/1298952257.db2.gz HUXNLRIRBFJVFA-HZPDHXFCSA-N 1 2 335.492 2.038 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]21 ZINC001221584881 1298952259 /nfs/dbraw/zinc/95/22/59/1298952259.db2.gz HUXNLRIRBFJVFA-HZPDHXFCSA-N 1 2 335.492 2.038 20 30 EEEDLO CC(C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001099662921 1299326562 /nfs/dbraw/zinc/32/65/62/1299326562.db2.gz GQJYQXPFMVPKQQ-MSOLQXFVSA-N 1 2 329.444 2.046 20 30 EEEDLO CC(C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001099662921 1299326573 /nfs/dbraw/zinc/32/65/73/1299326573.db2.gz GQJYQXPFMVPKQQ-MSOLQXFVSA-N 1 2 329.444 2.046 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1O ZINC001099976245 1299559343 /nfs/dbraw/zinc/55/93/43/1299559343.db2.gz LWPKFQQXECZYDQ-ZWKOTPCHSA-N 1 2 345.418 2.105 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1O ZINC001099976245 1299559352 /nfs/dbraw/zinc/55/93/52/1299559352.db2.gz LWPKFQQXECZYDQ-ZWKOTPCHSA-N 1 2 345.418 2.105 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C[C@H]1O ZINC001099976889 1299559873 /nfs/dbraw/zinc/55/98/73/1299559873.db2.gz SBOOEARGZIYFKP-DLBZAZTESA-N 1 2 338.398 2.373 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C[C@H]1O ZINC001099976889 1299559881 /nfs/dbraw/zinc/55/98/81/1299559881.db2.gz SBOOEARGZIYFKP-DLBZAZTESA-N 1 2 338.398 2.373 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cnon3)[C@H]2C1 ZINC001222757855 1299836566 /nfs/dbraw/zinc/83/65/66/1299836566.db2.gz YEQGGAYMMXHZBI-PBHICJAKSA-N 1 2 330.432 2.261 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnon3)[C@H]2C1 ZINC001222757855 1299836577 /nfs/dbraw/zinc/83/65/77/1299836577.db2.gz YEQGGAYMMXHZBI-PBHICJAKSA-N 1 2 330.432 2.261 20 30 EEEDLO CC1=CCC=C[C@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3[nH]ccc3C#N)[C@@H]2C1 ZINC001276838397 1299859955 /nfs/dbraw/zinc/85/99/55/1299859955.db2.gz VIQCMGQAZROVQU-YQVWRLOYSA-N 1 2 336.439 2.441 20 30 EEEDLO CC1=CCC=C[C@H]1C(=O)N1C[C@@H]2CC[N@@H+](Cc3[nH]ccc3C#N)[C@@H]2C1 ZINC001276838397 1299859968 /nfs/dbraw/zinc/85/99/68/1299859968.db2.gz VIQCMGQAZROVQU-YQVWRLOYSA-N 1 2 336.439 2.441 20 30 EEEDLO C#CCCCCC(=O)NCC1CC[NH+]([C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001222915141 1299919499 /nfs/dbraw/zinc/91/94/99/1299919499.db2.gz ZPQSFSBJLIFYTA-AWEZNQCLSA-N 1 2 331.464 2.196 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3cn(CC)nn3)[C@H]2C1 ZINC001223338274 1300090335 /nfs/dbraw/zinc/09/03/35/1300090335.db2.gz KTKLDJPRTKHCOL-NUJGCVRESA-N 1 2 345.491 2.323 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(CC)nn3)[C@H]2C1 ZINC001223338274 1300090341 /nfs/dbraw/zinc/09/03/41/1300090341.db2.gz KTKLDJPRTKHCOL-NUJGCVRESA-N 1 2 345.491 2.323 20 30 EEEDLO CC(C)N(CCCNC(=O)CCc1[nH]cc[nH+]1)c1ccc(C#N)nc1 ZINC001102102769 1300308484 /nfs/dbraw/zinc/30/84/84/1300308484.db2.gz NVJOXXMPKQKRAM-UHFFFAOYSA-N 1 2 340.431 2.030 20 30 EEEDLO C=CC(C)(C)C(=O)NCC1CC[NH+](Cc2cn(C(C)C)nn2)CC1 ZINC001224050843 1300394443 /nfs/dbraw/zinc/39/44/43/1300394443.db2.gz ATAKOKXIOHWNLX-UHFFFAOYSA-N 1 2 333.480 2.399 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC1CC[NH+](Cc2nnnn2C(C)C)CC1 ZINC001224186717 1300475484 /nfs/dbraw/zinc/47/54/84/1300475484.db2.gz GGIPVXGDMWNRCZ-OAHLLOKOSA-N 1 2 348.495 2.185 20 30 EEEDLO N#Cc1ccc(N[C@@H](CNC(=O)Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC001102170724 1300489083 /nfs/dbraw/zinc/48/90/83/1300489083.db2.gz RSIIIDPHXLIWMF-SFHVURJKSA-N 1 2 346.394 2.119 20 30 EEEDLO C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(CC)n1 ZINC001102194643 1300542203 /nfs/dbraw/zinc/54/22/03/1300542203.db2.gz RPURZBOPWCMUBI-IYBDPMFKSA-N 1 2 326.444 2.331 20 30 EEEDLO C#Cc1cccc(NC(=O)C[NH+]2CCC(NC(=O)[C@@H](C)CC)CC2)c1 ZINC001226128953 1301268322 /nfs/dbraw/zinc/26/83/22/1301268322.db2.gz RZGWHVGPHNEWJI-HNNXBMFYSA-N 1 2 341.455 2.233 20 30 EEEDLO C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(F)C(F)(F)F ZINC001226365357 1301379848 /nfs/dbraw/zinc/37/98/48/1301379848.db2.gz DXGVLCWESXHNDR-IJLUTSLNSA-N 1 2 326.334 2.106 20 30 EEEDLO C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)C(F)(F)F ZINC001226365357 1301379862 /nfs/dbraw/zinc/37/98/62/1301379862.db2.gz DXGVLCWESXHNDR-IJLUTSLNSA-N 1 2 326.334 2.106 20 30 EEEDLO C=CCOCC(=O)N(C)[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102691592 1301441213 /nfs/dbraw/zinc/44/12/13/1301441213.db2.gz DFCPECCMCOGXCC-HNNXBMFYSA-N 1 2 332.448 2.148 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001226523468 1301448207 /nfs/dbraw/zinc/44/82/07/1301448207.db2.gz WRCSORNLNCVHFX-HUUCEWRRSA-N 1 2 348.495 2.301 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)[C@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001102734957 1301517918 /nfs/dbraw/zinc/51/79/18/1301517918.db2.gz MVQHKOICVVTQFU-ZDUSSCGKSA-N 1 2 342.447 2.003 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NC1CC[NH+](Cc2nnc(C)o2)CC1 ZINC001227535614 1301871978 /nfs/dbraw/zinc/87/19/78/1301871978.db2.gz BISZNVUHNOIGDA-UHFFFAOYSA-N 1 2 326.828 2.237 20 30 EEEDLO CCCc1nc(C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)C#CC3CC3)C2)no1 ZINC001102963101 1301997753 /nfs/dbraw/zinc/99/77/53/1301997753.db2.gz LLTJBUVNIBKYEU-GDBMZVCRSA-N 1 2 344.459 2.010 20 30 EEEDLO CCCc1nc(C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)C#CC3CC3)C2)no1 ZINC001102963101 1301997756 /nfs/dbraw/zinc/99/77/56/1301997756.db2.gz LLTJBUVNIBKYEU-GDBMZVCRSA-N 1 2 344.459 2.010 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2nn(CC)nc2C)CC1 ZINC001228749308 1302420001 /nfs/dbraw/zinc/42/00/01/1302420001.db2.gz RRDGOCLLSSXJCT-KGLIPLIRSA-N 1 2 333.480 2.145 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](CC)Nc1[nH+]cnc2c1cnn2C ZINC001103287225 1302652768 /nfs/dbraw/zinc/65/27/68/1302652768.db2.gz GLWZMVWIFTYONB-OLZOCXBDSA-N 1 2 330.436 2.272 20 30 EEEDLO N#Cc1c(F)cccc1NCC1(NC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001103432902 1302952836 /nfs/dbraw/zinc/95/28/36/1302952836.db2.gz KGEQOLCLVLUYFE-UHFFFAOYSA-N 1 2 341.390 2.435 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001230406863 1303200552 /nfs/dbraw/zinc/20/05/52/1303200552.db2.gz FFVQQSRCOHMXAK-AWEZNQCLSA-N 1 2 345.418 2.369 20 30 EEEDLO C=CCCOCC(=O)NC1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001230411752 1303202726 /nfs/dbraw/zinc/20/27/26/1303202726.db2.gz RAJQQANTGDORMO-UHFFFAOYSA-N 1 2 335.448 2.471 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC ZINC001230561908 1303277231 /nfs/dbraw/zinc/27/72/31/1303277231.db2.gz JPNQQQVEEVSKHH-HNNXBMFYSA-N 1 2 349.500 2.205 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC ZINC001230561908 1303277236 /nfs/dbraw/zinc/27/72/36/1303277236.db2.gz JPNQQQVEEVSKHH-HNNXBMFYSA-N 1 2 349.500 2.205 20 30 EEEDLO N#Cc1c(F)cccc1N1CCC[C@@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103749144 1303292999 /nfs/dbraw/zinc/29/29/99/1303292999.db2.gz HSOIBTATBIZRHF-CQSZACIVSA-N 1 2 341.390 2.069 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CN(C)C(=O)CCC2CCCC2)C1=O ZINC001230671830 1303381193 /nfs/dbraw/zinc/38/11/93/1303381193.db2.gz XFKMRVIMSANODP-MSOLQXFVSA-N 1 2 347.503 2.276 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CN(C)C(=O)CCC2CCCC2)C1=O ZINC001230671830 1303381204 /nfs/dbraw/zinc/38/12/04/1303381204.db2.gz XFKMRVIMSANODP-MSOLQXFVSA-N 1 2 347.503 2.276 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC=CCC1 ZINC001230734624 1303421481 /nfs/dbraw/zinc/42/14/81/1303421481.db2.gz GICJTGHBFROIAZ-ROUUACIJSA-N 1 2 345.487 2.076 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC=CCC1 ZINC001230734624 1303421484 /nfs/dbraw/zinc/42/14/84/1303421484.db2.gz GICJTGHBFROIAZ-ROUUACIJSA-N 1 2 345.487 2.076 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1C=CCC1 ZINC001230741635 1303426231 /nfs/dbraw/zinc/42/62/31/1303426231.db2.gz AZALVAWLHKRIJF-MSOLQXFVSA-N 1 2 347.503 2.300 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1C=CCC1 ZINC001230741635 1303426232 /nfs/dbraw/zinc/42/62/32/1303426232.db2.gz AZALVAWLHKRIJF-MSOLQXFVSA-N 1 2 347.503 2.300 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)COCC1CC1 ZINC001230866508 1303510959 /nfs/dbraw/zinc/51/09/59/1303510959.db2.gz QHPVBPHXHPWFBE-QGZVFWFLSA-N 1 2 345.418 2.157 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)COCC1CC1 ZINC001230866508 1303510962 /nfs/dbraw/zinc/51/09/62/1303510962.db2.gz QHPVBPHXHPWFBE-QGZVFWFLSA-N 1 2 345.418 2.157 20 30 EEEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(Cl)nc3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230937851 1303552998 /nfs/dbraw/zinc/55/29/98/1303552998.db2.gz CFTSQBLCYSBZGW-NTBMCGCHSA-N 1 2 345.624 2.489 20 30 EEEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(Cl)nc3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230937851 1303553002 /nfs/dbraw/zinc/55/30/02/1303553002.db2.gz CFTSQBLCYSBZGW-NTBMCGCHSA-N 1 2 345.624 2.489 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnc(C)s1 ZINC001231094454 1303625856 /nfs/dbraw/zinc/62/58/56/1303625856.db2.gz GWCRTBPNBWHQQK-DZGCQCFKSA-N 1 2 337.489 2.465 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnc(C)s1 ZINC001231094454 1303625859 /nfs/dbraw/zinc/62/58/59/1303625859.db2.gz GWCRTBPNBWHQQK-DZGCQCFKSA-N 1 2 337.489 2.465 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1C[C@@H](O)c1cc(F)ccc1F ZINC001231121948 1303639729 /nfs/dbraw/zinc/63/97/29/1303639729.db2.gz IYGBVSLLZPKZAZ-RHSMWYFYSA-N 1 2 338.398 2.497 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1C[C@@H](O)c1cc(F)ccc1F ZINC001231121948 1303639737 /nfs/dbraw/zinc/63/97/37/1303639737.db2.gz IYGBVSLLZPKZAZ-RHSMWYFYSA-N 1 2 338.398 2.497 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(CC(C)C)C(C)C ZINC001231169083 1303662750 /nfs/dbraw/zinc/66/27/50/1303662750.db2.gz CZQRLTRVRHAICX-QGZVFWFLSA-N 1 2 337.508 2.378 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(CC(C)C)C(C)C ZINC001231169083 1303662756 /nfs/dbraw/zinc/66/27/56/1303662756.db2.gz CZQRLTRVRHAICX-QGZVFWFLSA-N 1 2 337.508 2.378 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCN(c2ccccc2)C1=O ZINC001231178901 1303668870 /nfs/dbraw/zinc/66/88/70/1303668870.db2.gz ONYMLWYOAIKISG-MSOLQXFVSA-N 1 2 341.455 2.291 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCN(c2ccccc2)C1=O ZINC001231178901 1303668876 /nfs/dbraw/zinc/66/88/76/1303668876.db2.gz ONYMLWYOAIKISG-MSOLQXFVSA-N 1 2 341.455 2.291 20 30 EEEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C3CC3)o1)C2 ZINC001111730128 1303814216 /nfs/dbraw/zinc/81/42/16/1303814216.db2.gz WXDKTMQQRIBRKJ-KXBFYZLASA-N 1 2 342.443 2.221 20 30 EEEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C3CC3)o1)C2 ZINC001111730128 1303814221 /nfs/dbraw/zinc/81/42/21/1303814221.db2.gz WXDKTMQQRIBRKJ-KXBFYZLASA-N 1 2 342.443 2.221 20 30 EEEDLO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C2)c(C#N)c1 ZINC001232967109 1304308822 /nfs/dbraw/zinc/30/88/22/1304308822.db2.gz BSWPZROGTJGPIP-IAGOWNOFSA-N 1 2 345.443 2.327 20 30 EEEDLO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C2)c(C#N)c1 ZINC001232967109 1304308828 /nfs/dbraw/zinc/30/88/28/1304308828.db2.gz BSWPZROGTJGPIP-IAGOWNOFSA-N 1 2 345.443 2.327 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C=C(CC)CC ZINC001233654228 1304548291 /nfs/dbraw/zinc/54/82/91/1304548291.db2.gz PLDKMSBIBWZWJT-GOSISDBHSA-N 1 2 347.503 2.466 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C=C(CC)CC ZINC001233654228 1304548292 /nfs/dbraw/zinc/54/82/92/1304548292.db2.gz PLDKMSBIBWZWJT-GOSISDBHSA-N 1 2 347.503 2.466 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC001233977129 1304665652 /nfs/dbraw/zinc/66/56/52/1304665652.db2.gz LRPSONJHCYZLLL-FUHWJXTLSA-N 1 2 338.398 2.325 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(F)cc(F)c1 ZINC001233977129 1304665659 /nfs/dbraw/zinc/66/56/59/1304665659.db2.gz LRPSONJHCYZLLL-FUHWJXTLSA-N 1 2 338.398 2.325 20 30 EEEDLO C[C@@H](CCCNc1ccncc1C#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001115112571 1304697736 /nfs/dbraw/zinc/69/77/36/1304697736.db2.gz RTNRFIXXWSADCD-ZDUSSCGKSA-N 1 2 348.410 2.262 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CC1(C)CCCC1 ZINC001234086608 1304731836 /nfs/dbraw/zinc/73/18/36/1304731836.db2.gz BGOXXOMHLHOYHK-HOTGVXAUSA-N 1 2 335.492 2.180 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC1(C)CCCC1 ZINC001234086608 1304731843 /nfs/dbraw/zinc/73/18/43/1304731843.db2.gz BGOXXOMHLHOYHK-HOTGVXAUSA-N 1 2 335.492 2.180 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC(CC)CC ZINC001234561709 1304969144 /nfs/dbraw/zinc/96/91/44/1304969144.db2.gz BJEFDZIURIYNFH-INIZCTEOSA-N 1 2 337.508 2.426 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC(CC)CC ZINC001234561709 1304969147 /nfs/dbraw/zinc/96/91/47/1304969147.db2.gz BJEFDZIURIYNFH-INIZCTEOSA-N 1 2 337.508 2.426 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1nccnc1C)OCC ZINC001234641043 1304997109 /nfs/dbraw/zinc/99/71/09/1304997109.db2.gz CFNHBDQWNTYGJP-SJLPKXTDSA-N 1 2 346.475 2.189 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1nccnc1C)OCC ZINC001234641043 1304997110 /nfs/dbraw/zinc/99/71/10/1304997110.db2.gz CFNHBDQWNTYGJP-SJLPKXTDSA-N 1 2 346.475 2.189 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2nc(F)nc3nc[nH]c32)C1 ZINC001234690356 1305007816 /nfs/dbraw/zinc/00/78/16/1305007816.db2.gz NSLSCGREFHSQTI-ZDUSSCGKSA-N 1 2 338.346 2.017 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2nc(F)nc3nc[nH]c32)C1 ZINC001234690356 1305007821 /nfs/dbraw/zinc/00/78/21/1305007821.db2.gz NSLSCGREFHSQTI-ZDUSSCGKSA-N 1 2 338.346 2.017 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2nc(F)nc3[nH]cnc32)C1 ZINC001234690356 1305007827 /nfs/dbraw/zinc/00/78/27/1305007827.db2.gz NSLSCGREFHSQTI-ZDUSSCGKSA-N 1 2 338.346 2.017 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2nc(F)nc3[nH]cnc32)C1 ZINC001234690356 1305007832 /nfs/dbraw/zinc/00/78/32/1305007832.db2.gz NSLSCGREFHSQTI-ZDUSSCGKSA-N 1 2 338.346 2.017 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1conc1C1CCCC1 ZINC001235155928 1305130642 /nfs/dbraw/zinc/13/06/42/1305130642.db2.gz BMGXWVKKQIPOTJ-MRXNPFEDSA-N 1 2 345.443 2.128 20 30 EEEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1conc1C1CCCC1 ZINC001235155928 1305130650 /nfs/dbraw/zinc/13/06/50/1305130650.db2.gz BMGXWVKKQIPOTJ-MRXNPFEDSA-N 1 2 345.443 2.128 20 30 EEEDLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CC12CCN(c1ccc(C#N)cc1)CC2 ZINC001278023309 1305711520 /nfs/dbraw/zinc/71/15/20/1305711520.db2.gz RMSLMEBXPMYJNY-SFHVURJKSA-N 1 2 349.438 2.215 20 30 EEEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2n[nH]c3cc(OC)ccc23)C1 ZINC001237395670 1305918112 /nfs/dbraw/zinc/91/81/12/1305918112.db2.gz KOVAHVKDKWBFDR-CYBMUJFWSA-N 1 2 344.415 2.448 20 30 EEEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2n[nH]c3cc(OC)ccc23)C1 ZINC001237395670 1305918121 /nfs/dbraw/zinc/91/81/21/1305918121.db2.gz KOVAHVKDKWBFDR-CYBMUJFWSA-N 1 2 344.415 2.448 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)OCCC(C)C)C1 ZINC001150832026 1316387885 /nfs/dbraw/zinc/38/78/85/1316387885.db2.gz PBXCVECYVBAASN-CVEARBPZSA-N 1 2 346.899 2.397 20 30 EEEDLO N#Cc1ccnc(-c2ccc(OCC[NH+]3CCOCC3)cc2)c1F ZINC001240447607 1309328332 /nfs/dbraw/zinc/32/83/32/1309328332.db2.gz KQDDRGWRBWHWRU-UHFFFAOYSA-N 1 2 327.359 2.470 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001120163909 1309357873 /nfs/dbraw/zinc/35/78/73/1309357873.db2.gz IJFOMVGJSUXCPY-AWEZNQCLSA-N 1 2 331.464 2.080 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001120163909 1309357886 /nfs/dbraw/zinc/35/78/86/1309357886.db2.gz IJFOMVGJSUXCPY-AWEZNQCLSA-N 1 2 331.464 2.080 20 30 EEEDLO C=C[C@@H](CC(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC001121633131 1310079511 /nfs/dbraw/zinc/07/95/11/1310079511.db2.gz HEVSGMQGVVIPMP-RDJZCZTQSA-N 1 2 340.427 2.034 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001122456470 1310290952 /nfs/dbraw/zinc/29/09/52/1310290952.db2.gz BSHSILZVJSWAFH-KSSFIOAISA-N 1 2 332.448 2.154 20 30 EEEDLO C[C@@H]1[C@H](Nc2ccc(C#N)cn2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001123028441 1310450916 /nfs/dbraw/zinc/45/09/16/1310450916.db2.gz RIGYPFPGQLTVAA-GDBMZVCRSA-N 1 2 338.415 2.031 20 30 EEEDLO C=CCOCC(=O)N[C@]12CCC[C@@H]1N(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001123387733 1310543804 /nfs/dbraw/zinc/54/38/04/1310543804.db2.gz ZMKGBHHHHNSEBZ-LPHOPBHVSA-N 1 2 344.459 2.222 20 30 EEEDLO C=CCCOCC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001123487736 1310588776 /nfs/dbraw/zinc/58/87/76/1310588776.db2.gz RASSTXWCYWLKIF-YESZJQIVSA-N 1 2 344.459 2.417 20 30 EEEDLO C=CCCOCC(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001123487735 1310589117 /nfs/dbraw/zinc/58/91/17/1310589117.db2.gz RASSTXWCYWLKIF-ULQDDVLXSA-N 1 2 344.459 2.417 20 30 EEEDLO N#Cc1ccc(NC[C@@H]2CC[C@H](NC(=O)CCc3c[nH]c[nH+]3)C2)cn1 ZINC001123888067 1310751361 /nfs/dbraw/zinc/75/13/61/1310751361.db2.gz RVWGWOFCENZNRM-KGLIPLIRSA-N 1 2 338.415 2.006 20 30 EEEDLO N#Cc1ccc(NC[C@@H]2CC[C@H](NC(=O)CCc3c[nH+]c[nH]3)C2)cn1 ZINC001123888067 1310751369 /nfs/dbraw/zinc/75/13/69/1310751369.db2.gz RVWGWOFCENZNRM-KGLIPLIRSA-N 1 2 338.415 2.006 20 30 EEEDLO C[N@H+]1CCO[C@@H](CNc2nc(Cl)cc(C(F)(F)F)c2C#N)C1 ZINC001162680071 1320928207 /nfs/dbraw/zinc/92/82/07/1320928207.db2.gz DZYRSGMHOKJCTB-QMMMGPOBSA-N 1 2 334.729 2.368 20 30 EEEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1nc(Cl)cc(Cl)c1C#N ZINC001162855800 1320975821 /nfs/dbraw/zinc/97/58/21/1320975821.db2.gz OGNZQAUQAZIREW-VIFPVBQESA-N 1 2 331.203 2.341 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000832698537 1314696082 /nfs/dbraw/zinc/69/60/82/1314696082.db2.gz ZGOYUJQRNNXZGU-CYBMUJFWSA-N 1 2 325.453 2.008 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000832698537 1314696077 /nfs/dbraw/zinc/69/60/77/1314696077.db2.gz ZGOYUJQRNNXZGU-CYBMUJFWSA-N 1 2 325.453 2.008 20 30 EEEDLO CSc1nc(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)ccc1C#N ZINC001141945544 1315395935 /nfs/dbraw/zinc/39/59/35/1315395935.db2.gz CPZVALMCAKKVBR-CQSZACIVSA-N 1 2 327.413 2.118 20 30 EEEDLO CSc1nc(C[N@H+]2CC[C@@H](Oc3cnccn3)C2)ccc1C#N ZINC001141945544 1315395940 /nfs/dbraw/zinc/39/59/40/1315395940.db2.gz CPZVALMCAKKVBR-CQSZACIVSA-N 1 2 327.413 2.118 20 30 EEEDLO CN(C)c1nc(C=[NH+]N2CCC[C@@H]2CO)c(Cl)n1-c1ccccc1 ZINC000841660839 1315592230 /nfs/dbraw/zinc/59/22/30/1315592230.db2.gz FCVJKGUJANZKBH-CQSZACIVSA-N 1 2 347.850 2.382 20 30 EEEDLO C=CCOC(=O)N1CC[NH+](Cc2ccc(C(=O)OCC)cc2)CC1 ZINC001142604215 1315673323 /nfs/dbraw/zinc/67/33/23/1315673323.db2.gz XKHNARFXBNWRHI-UHFFFAOYSA-N 1 2 332.400 2.304 20 30 EEEDLO O=C(C#Cc1ccccc1)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001142859067 1315775657 /nfs/dbraw/zinc/77/56/57/1315775657.db2.gz PYTLREVKSVMQTM-UHFFFAOYSA-N 1 2 344.418 2.259 20 30 EEEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000843433477 1315914796 /nfs/dbraw/zinc/91/47/96/1315914796.db2.gz ASESDZKCYUIIRZ-DOMZBBRYSA-N 1 2 334.803 2.282 20 30 EEEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000843433477 1315914797 /nfs/dbraw/zinc/91/47/97/1315914797.db2.gz ASESDZKCYUIIRZ-DOMZBBRYSA-N 1 2 334.803 2.282 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@H](OCC)C(=C)C)C1 ZINC001149804798 1316052370 /nfs/dbraw/zinc/05/23/70/1316052370.db2.gz XLEKXZGGOOCJMJ-CVEARBPZSA-N 1 2 344.883 2.317 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C[C@H](OCC)C(=C)C)C1 ZINC001149804798 1316052374 /nfs/dbraw/zinc/05/23/74/1316052374.db2.gz XLEKXZGGOOCJMJ-CVEARBPZSA-N 1 2 344.883 2.317 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)OCCC(C)C)C1 ZINC001150832026 1316387883 /nfs/dbraw/zinc/38/78/83/1316387883.db2.gz PBXCVECYVBAASN-CVEARBPZSA-N 1 2 346.899 2.397 20 30 EEEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1cn[nH]c1 ZINC001152095927 1316631360 /nfs/dbraw/zinc/63/13/60/1316631360.db2.gz AZYJKVQMFZQBCR-GFCCVEGCSA-N 1 2 329.379 2.061 20 30 EEEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1cn[nH]c1 ZINC001152095927 1316631361 /nfs/dbraw/zinc/63/13/61/1316631361.db2.gz AZYJKVQMFZQBCR-GFCCVEGCSA-N 1 2 329.379 2.061 20 30 EEEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1cnsn1 ZINC001152153267 1316638963 /nfs/dbraw/zinc/63/89/63/1316638963.db2.gz BKZPEIBGKGJGMZ-LLVKDONJSA-N 1 2 347.419 2.189 20 30 EEEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1cnsn1 ZINC001152153267 1316638966 /nfs/dbraw/zinc/63/89/66/1316638966.db2.gz BKZPEIBGKGJGMZ-LLVKDONJSA-N 1 2 347.419 2.189 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1csc(CC)n1 ZINC001153090461 1316773433 /nfs/dbraw/zinc/77/34/33/1316773433.db2.gz IITOHEXVLKRKTQ-CXAGYDPISA-N 1 2 339.505 2.359 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1csc(CC)n1 ZINC001153090461 1316773436 /nfs/dbraw/zinc/77/34/36/1316773436.db2.gz IITOHEXVLKRKTQ-CXAGYDPISA-N 1 2 339.505 2.359 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)c2cn3c(cccc3C(F)(F)F)n2)CC1 ZINC001153371728 1316819227 /nfs/dbraw/zinc/81/92/27/1316819227.db2.gz FLBBDSBJQVXXFZ-UHFFFAOYSA-N 1 2 338.333 2.297 20 30 EEEDLO CN1CC[NH+](CCNc2ccc(-c3ccc(F)c(C#N)c3)cn2)CC1 ZINC001250636623 1317282595 /nfs/dbraw/zinc/28/25/95/1317282595.db2.gz MGBLAGJGOSZVAG-UHFFFAOYSA-N 1 2 339.418 2.419 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)c2ncc3cc(Br)ccn32)CC1 ZINC001157289985 1318547528 /nfs/dbraw/zinc/54/75/28/1318547528.db2.gz JAJKQMOREOUXGY-UHFFFAOYSA-N 1 2 349.232 2.041 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nocc1C ZINC001157875830 1318911982 /nfs/dbraw/zinc/91/19/82/1318911982.db2.gz DWDMTPWXRRQCSP-QAPCUYQASA-N 1 2 335.448 2.123 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nocc1C ZINC001157875830 1318911983 /nfs/dbraw/zinc/91/19/83/1318911983.db2.gz DWDMTPWXRRQCSP-QAPCUYQASA-N 1 2 335.448 2.123 20 30 EEEDLO C#CCOCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1ncc(C)o1 ZINC001157957703 1318946641 /nfs/dbraw/zinc/94/66/41/1318946641.db2.gz GGGKXWUZMCQVSJ-DLBZAZTESA-N 1 2 347.459 2.397 20 30 EEEDLO C#CCOCCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H](C)c1ncc(C)o1 ZINC001157957703 1318946644 /nfs/dbraw/zinc/94/66/44/1318946644.db2.gz GGGKXWUZMCQVSJ-DLBZAZTESA-N 1 2 347.459 2.397 20 30 EEEDLO C=CCOC(=O)N[C@H]1CCCN(c2[nH+]c(C)cc(C)c2C(=O)OC)C1 ZINC001158910840 1319502596 /nfs/dbraw/zinc/50/25/96/1319502596.db2.gz GXFWTVPBNRCGNL-AWEZNQCLSA-N 1 2 347.415 2.366 20 30 EEEDLO C=CCCC(=O)NCCC1=CC[N@H+](Cc2nn(CC)nc2C)CC1 ZINC001159544500 1319873163 /nfs/dbraw/zinc/87/31/63/1319873163.db2.gz QNNRPLLOJCYPJR-UHFFFAOYSA-N 1 2 331.464 2.211 20 30 EEEDLO C=CCCC(=O)NCCC1=CC[N@@H+](Cc2nn(CC)nc2C)CC1 ZINC001159544500 1319873170 /nfs/dbraw/zinc/87/31/70/1319873170.db2.gz QNNRPLLOJCYPJR-UHFFFAOYSA-N 1 2 331.464 2.211 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2ccn(CC)n2)CC1 ZINC001161978023 1320704620 /nfs/dbraw/zinc/70/46/20/1320704620.db2.gz KUGBCDAURMCJDH-MRXNPFEDSA-N 1 2 346.475 2.133 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2ccn(CC)n2)CC1 ZINC001161978023 1320704622 /nfs/dbraw/zinc/70/46/22/1320704622.db2.gz KUGBCDAURMCJDH-MRXNPFEDSA-N 1 2 346.475 2.133 20 30 EEEDLO C[N@@H+]1CCO[C@@H](CNc2nc(Cl)cc(C(F)(F)F)c2C#N)C1 ZINC001162680071 1320928204 /nfs/dbraw/zinc/92/82/04/1320928204.db2.gz DZYRSGMHOKJCTB-QMMMGPOBSA-N 1 2 334.729 2.368 20 30 EEEDLO COC(=O)c1ccc(NCCc2cn3c(cccc3C)[nH+]2)c(C#N)n1 ZINC001163643270 1321179256 /nfs/dbraw/zinc/17/92/56/1321179256.db2.gz REUCPILSJWAZMS-UHFFFAOYSA-N 1 2 335.367 2.351 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NCCC1(C[NH2+]CC(F)(F)C(F)F)CC1 ZINC001164316581 1321349655 /nfs/dbraw/zinc/34/96/55/1321349655.db2.gz XWPRGCVJXLZMFY-CYBMUJFWSA-N 1 2 340.361 2.090 20 30 EEEDLO N#Cc1ccc(N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)nc1 ZINC001165738633 1321575751 /nfs/dbraw/zinc/57/57/51/1321575751.db2.gz JPIXVDZATOQJLD-INIZCTEOSA-N 1 2 346.394 2.260 20 30 EEEDLO N#Cc1cncc(C[N@H+]2CCC[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC001276486888 1323391094 /nfs/dbraw/zinc/39/10/94/1323391094.db2.gz FYKPXVUQWJOYHE-FQEVSTJZSA-N 1 2 347.422 2.115 20 30 EEEDLO N#Cc1cncc(C[N@@H+]2CCC[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC001276486888 1323391098 /nfs/dbraw/zinc/39/10/98/1323391098.db2.gz FYKPXVUQWJOYHE-FQEVSTJZSA-N 1 2 347.422 2.115 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nc(C3CC3)no2)C[C@H]1C ZINC001206912471 1323695677 /nfs/dbraw/zinc/69/56/77/1323695677.db2.gz NJTHNBNYAMIYHV-VNHYZAJKSA-N 1 2 330.432 2.248 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nc(C3CC3)no2)C[C@H]1C ZINC001206912471 1323695681 /nfs/dbraw/zinc/69/56/81/1323695681.db2.gz NJTHNBNYAMIYHV-VNHYZAJKSA-N 1 2 330.432 2.248 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001206914586 1323697509 /nfs/dbraw/zinc/69/75/09/1323697509.db2.gz KKGICIZRNJNMAM-IXPVHAAZSA-N 1 2 343.880 2.060 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cnc(Cl)s2)C[C@H]1C ZINC001206914586 1323697516 /nfs/dbraw/zinc/69/75/16/1323697516.db2.gz KKGICIZRNJNMAM-IXPVHAAZSA-N 1 2 343.880 2.060 20 30 EEEDLO CO[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C1CC1 ZINC001206926175 1323710111 /nfs/dbraw/zinc/71/01/11/1323710111.db2.gz ZLPVRCCOIAKPRS-PJSAGSTRSA-N 1 2 345.418 2.059 20 30 EEEDLO CO[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C1CC1 ZINC001206926175 1323710115 /nfs/dbraw/zinc/71/01/15/1323710115.db2.gz ZLPVRCCOIAKPRS-PJSAGSTRSA-N 1 2 345.418 2.059 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](OCC)C2CC2)C1 ZINC001206981331 1323769041 /nfs/dbraw/zinc/76/90/41/1323769041.db2.gz GWCMYPIGGVPFEV-HONMWMINSA-N 1 2 345.281 2.147 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](OCC)C2CC2)C1 ZINC001206981331 1323769048 /nfs/dbraw/zinc/76/90/48/1323769048.db2.gz GWCMYPIGGVPFEV-HONMWMINSA-N 1 2 345.281 2.147 20 30 EEEDLO C#CCCCCC(=O)N1CCC[C@H]([NH2+]Cc2nc(CCC)no2)C1 ZINC001207860774 1324184888 /nfs/dbraw/zinc/18/48/88/1324184888.db2.gz PZOYRCNEIYYLMV-HNNXBMFYSA-N 1 2 332.448 2.296 20 30 EEEDLO C#CCCCCC(=O)N1CCC[C@H]([NH2+]Cc2nc(C(C)C)no2)C1 ZINC001207860371 1324185064 /nfs/dbraw/zinc/18/50/64/1324185064.db2.gz KWQNMPYQCGKJTC-HNNXBMFYSA-N 1 2 332.448 2.467 20 30 EEEDLO C=CCOC[C@@H]1C[N@H+](C[C@@H]2CCCCO2)Cc2nnn(CC3CC3)c21 ZINC001207959428 1324233779 /nfs/dbraw/zinc/23/37/79/1324233779.db2.gz LEOLDCDGCMNNID-IRXDYDNUSA-N 1 2 346.475 2.359 20 30 EEEDLO C=CCOC[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)Cc2nnn(CC3CC3)c21 ZINC001207959428 1324233782 /nfs/dbraw/zinc/23/37/82/1324233782.db2.gz LEOLDCDGCMNNID-IRXDYDNUSA-N 1 2 346.475 2.359 20 30 EEEDLO C=CCOC[C@H]1C[N@H+](C[C@@H]2CCCCO2)Cc2nnn(CC3CC3)c21 ZINC001207959429 1324234370 /nfs/dbraw/zinc/23/43/70/1324234370.db2.gz LEOLDCDGCMNNID-SJORKVTESA-N 1 2 346.475 2.359 20 30 EEEDLO C=CCOC[C@H]1C[N@@H+](C[C@@H]2CCCCO2)Cc2nnn(CC3CC3)c21 ZINC001207959429 1324234374 /nfs/dbraw/zinc/23/43/74/1324234374.db2.gz LEOLDCDGCMNNID-SJORKVTESA-N 1 2 346.475 2.359 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)COC)C1 ZINC001207988869 1324249236 /nfs/dbraw/zinc/24/92/36/1324249236.db2.gz ZMIMKRCDIQFFFY-ZYHUDNBSSA-N 1 2 333.270 2.004 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)COC)C1 ZINC001207988869 1324249239 /nfs/dbraw/zinc/24/92/39/1324249239.db2.gz ZMIMKRCDIQFFFY-ZYHUDNBSSA-N 1 2 333.270 2.004 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cncc(OC)n2)C[C@H]1C ZINC001208512161 1324536654 /nfs/dbraw/zinc/53/66/54/1324536654.db2.gz YEGYTDQXUHTAKD-SIIHOXLZSA-N 1 2 332.448 2.024 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cncc(OC)n2)C[C@H]1C ZINC001208512161 1324536659 /nfs/dbraw/zinc/53/66/59/1324536659.db2.gz YEGYTDQXUHTAKD-SIIHOXLZSA-N 1 2 332.448 2.024 20 30 EEEDLO C=CCOC[C@@H]1C[N@@H+](Cc2c[nH]nc2C)Cc2nnn(CC3CC3)c21 ZINC001209555086 1324968952 /nfs/dbraw/zinc/96/89/52/1324968952.db2.gz VCACNXGMUYOBQD-INIZCTEOSA-N 1 2 342.447 2.022 20 30 EEEDLO C=CCOC[C@@H]1C[N@H+](Cc2c[nH]nc2C)Cc2nnn(CC3CC3)c21 ZINC001209555086 1324968954 /nfs/dbraw/zinc/96/89/54/1324968954.db2.gz VCACNXGMUYOBQD-INIZCTEOSA-N 1 2 342.447 2.022 20 30 EEEDLO Cc1[nH]ncc1C[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001209555441 1324968996 /nfs/dbraw/zinc/96/89/96/1324968996.db2.gz BJAYNKLVFJPVFQ-LJQANCHMSA-N 1 2 335.411 2.219 20 30 EEEDLO Cc1[nH]ncc1C[N@H+]1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001209555441 1324969002 /nfs/dbraw/zinc/96/90/02/1324969002.db2.gz BJAYNKLVFJPVFQ-LJQANCHMSA-N 1 2 335.411 2.219 20 30 EEEDLO CC#CCCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2noc(C3CC3)n2)C1 ZINC001316620808 1325732677 /nfs/dbraw/zinc/73/26/77/1325732677.db2.gz IIZDGDPMXZSCPA-OTVXOJSOSA-N 1 2 330.432 2.125 20 30 EEEDLO C[N@H+](CCNC(=O)c1cnc2[nH]ccc2c1)Cc1ccccc1C#N ZINC001492291400 1331170014 /nfs/dbraw/zinc/17/00/14/1331170014.db2.gz ODOXUNXRRXLHMP-UHFFFAOYSA-N 1 2 333.395 2.248 20 30 EEEDLO C[N@@H+](CCNC(=O)c1cnc2[nH]ccc2c1)Cc1ccccc1C#N ZINC001492291400 1331170021 /nfs/dbraw/zinc/17/00/21/1331170021.db2.gz ODOXUNXRRXLHMP-UHFFFAOYSA-N 1 2 333.395 2.248 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N[C@H](C)CC)C2)CCC1 ZINC001317943412 1332447490 /nfs/dbraw/zinc/44/74/90/1332447490.db2.gz KBEJNUYBBSUJNL-HZPDHXFCSA-N 1 2 335.492 2.228 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N[C@H](C)CC)C2)CCC1 ZINC001317943412 1332447492 /nfs/dbraw/zinc/44/74/92/1332447492.db2.gz KBEJNUYBBSUJNL-HZPDHXFCSA-N 1 2 335.492 2.228 20 30 EEEDLO Cn1c(N)nc(Cl)c1C=[NH+]Nc1cncc(Br)c1 ZINC001324206577 1333634526 /nfs/dbraw/zinc/63/45/26/1333634526.db2.gz AZFNEGJMCMBZMA-UHFFFAOYSA-N 1 2 329.589 2.259 20 30 EEEDLO CC(=O)[C@](C#N)(CCSCC[NH+]1CCOCC1)c1ccccc1 ZINC001329679399 1334695502 /nfs/dbraw/zinc/69/55/02/1334695502.db2.gz QCRIBZXNPFMYCC-GOSISDBHSA-N 1 2 332.469 2.492 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001338795670 1336909322 /nfs/dbraw/zinc/90/93/22/1336909322.db2.gz PHSRPGRGCGTBRU-MRXNPFEDSA-N 1 2 333.480 2.311 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)CC1CC1 ZINC001338842704 1336918162 /nfs/dbraw/zinc/91/81/62/1336918162.db2.gz YLHPYNPQKAQFTQ-JKSUJKDBSA-N 1 2 331.464 2.236 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)CC1CC1 ZINC001338842704 1336918164 /nfs/dbraw/zinc/91/81/64/1336918164.db2.gz YLHPYNPQKAQFTQ-JKSUJKDBSA-N 1 2 331.464 2.236 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(CC)Cc1cnn(C)c1 ZINC001338894807 1336928071 /nfs/dbraw/zinc/92/80/71/1336928071.db2.gz BNWLJAOTKCQASQ-INIZCTEOSA-N 1 2 343.479 2.381 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(CC)Cc1cnn(C)c1 ZINC001338894807 1336928073 /nfs/dbraw/zinc/92/80/73/1336928073.db2.gz BNWLJAOTKCQASQ-INIZCTEOSA-N 1 2 343.479 2.381 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001338926417 1336932853 /nfs/dbraw/zinc/93/28/53/1336932853.db2.gz BLXUXVIJKUJHBY-HNNXBMFYSA-N 1 2 333.480 2.454 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@@H](C)C[C@H]1CC ZINC001338963719 1336937762 /nfs/dbraw/zinc/93/77/62/1336937762.db2.gz PRTOLVNOCFUROW-DOTOQJQBSA-N 1 2 347.507 2.293 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@H]3[C@@H]4CCCC[C@@H]43)n2CC=C)CC1 ZINC001340130427 1337126575 /nfs/dbraw/zinc/12/65/75/1337126575.db2.gz FUIHNLHZVQUMAG-FVQHAEBGSA-N 1 2 325.460 2.123 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@@H]1C ZINC001340315705 1337157898 /nfs/dbraw/zinc/15/78/98/1337157898.db2.gz JAEPSRGHRKINNU-XHSDSOJGSA-N 1 2 331.464 2.379 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@@H]1C ZINC001340315705 1337157900 /nfs/dbraw/zinc/15/79/00/1337157900.db2.gz JAEPSRGHRKINNU-XHSDSOJGSA-N 1 2 331.464 2.379 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(CC)CCCC ZINC001351722742 1337840498 /nfs/dbraw/zinc/84/04/98/1337840498.db2.gz HCRJWUGQZAIVOV-UHFFFAOYSA-N 1 2 335.496 2.295 20 30 EEEDLO C=CCC1(C(=O)N2CCC([C@H](C)[NH2+]Cc3c[nH]nn3)CC2)CCC1 ZINC001575085554 1343731826 /nfs/dbraw/zinc/73/18/26/1343731826.db2.gz NTCXTGZKTRAZFY-AWEZNQCLSA-N 1 2 331.464 2.268 20 30 EEEDLO C=CCC1(C(=O)N2CCC([C@H](C)[NH2+]Cc3cn[nH]n3)CC2)CCC1 ZINC001575085554 1343731828 /nfs/dbraw/zinc/73/18/28/1343731828.db2.gz NTCXTGZKTRAZFY-AWEZNQCLSA-N 1 2 331.464 2.268 20 30 EEEDLO CC(C)Cn1c([C@@H](C)CCC#N)nnc1N(C)CC[NH+]1CCOCC1 ZINC001650447769 1353922916 /nfs/dbraw/zinc/92/29/16/1353922916.db2.gz AUMCPDCBUFXAAH-INIZCTEOSA-N 1 2 348.495 2.110 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001660980451 1354567777 /nfs/dbraw/zinc/56/77/77/1354567777.db2.gz NDTFDJZAAKRZRP-SJKOYZFVSA-N 1 2 340.826 2.497 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001660980451 1354567779 /nfs/dbraw/zinc/56/77/79/1354567779.db2.gz NDTFDJZAAKRZRP-SJKOYZFVSA-N 1 2 340.826 2.497 20 30 EEEDLO C#CCCOc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000154769564 1367541499 /nfs/dbraw/zinc/54/14/99/1367541499.db2.gz VVFAZRXNUVUEOE-UHFFFAOYSA-N 1 2 341.455 2.137 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3cc4n(n3)CCC4)C[C@H]21 ZINC001188080720 1368279033 /nfs/dbraw/zinc/27/90/33/1368279033.db2.gz ISISCJIVFUSNRI-MAUKXSAKSA-N 1 2 328.460 2.218 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc4n(n3)CCC4)C[C@H]21 ZINC001188080720 1368279043 /nfs/dbraw/zinc/27/90/43/1368279043.db2.gz ISISCJIVFUSNRI-MAUKXSAKSA-N 1 2 328.460 2.218 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(C(C)(C)C)on2)C1 ZINC001190094737 1368390376 /nfs/dbraw/zinc/39/03/76/1368390376.db2.gz MSYKKPKKEWWQDF-ZBFHGGJFSA-N 1 2 347.459 2.043 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C(C)(C)C)on2)C1 ZINC001190094737 1368390383 /nfs/dbraw/zinc/39/03/83/1368390383.db2.gz MSYKKPKKEWWQDF-ZBFHGGJFSA-N 1 2 347.459 2.043 20 30 EEEDLO CCO[C@H](C)C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001194957043 1368499524 /nfs/dbraw/zinc/49/95/24/1368499524.db2.gz WNIFDCRVANEOQI-CQSZACIVSA-N 1 2 333.407 2.157 20 30 EEEDLO CCO[C@H](C)C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001194957043 1368499526 /nfs/dbraw/zinc/49/95/26/1368499526.db2.gz WNIFDCRVANEOQI-CQSZACIVSA-N 1 2 333.407 2.157 20 30 EEEDLO C#CCN(C(=O)[C@H]1C[C@@H]1C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001110616100 1369231466 /nfs/dbraw/zinc/23/14/66/1369231466.db2.gz UQDUZARLXRHKHM-UGSOOPFHSA-N 1 2 340.471 2.488 20 30 EEEDLO C[C@]1(c2ccccc2)CC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853523452 1369345730 /nfs/dbraw/zinc/34/57/30/1369345730.db2.gz DTBGHIXZZKOUTO-HNAYVOBHSA-N 1 2 325.412 2.286 20 30 EEEDLO C[C@]1(c2ccccc2)CC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853523452 1369345736 /nfs/dbraw/zinc/34/57/36/1369345736.db2.gz DTBGHIXZZKOUTO-HNAYVOBHSA-N 1 2 325.412 2.286 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1(C)C ZINC001073448140 1370854759 /nfs/dbraw/zinc/85/47/59/1370854759.db2.gz MFIPRXGLWMMOSA-HNNXBMFYSA-N 1 2 346.475 2.216 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(CC)nn1)C2 ZINC001111848786 1371271039 /nfs/dbraw/zinc/27/10/39/1371271039.db2.gz SYUYXFFWGKARQI-BXWFABGCSA-N 1 2 345.491 2.371 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(CC)nn1)C2 ZINC001111848786 1371271042 /nfs/dbraw/zinc/27/10/42/1371271042.db2.gz SYUYXFFWGKARQI-BXWFABGCSA-N 1 2 345.491 2.371 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC1(Nc2[nH+]cnc3c2cnn3C)CCC1 ZINC001111912058 1371303850 /nfs/dbraw/zinc/30/38/50/1371303850.db2.gz SDWNBAVTDFDPCF-UHFFFAOYSA-N 1 2 342.447 2.416 20 30 EEEDLO C[C@@H](CCCNc1ccc(C#N)cn1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001115099604 1371519931 /nfs/dbraw/zinc/51/99/31/1371519931.db2.gz CZUXZMKXTMWORX-KBPBESRZSA-N 1 2 340.431 2.252 20 30 EEEDLO C[C@@H](CCCNc1ccc(C#N)cn1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001115099604 1371519940 /nfs/dbraw/zinc/51/99/40/1371519940.db2.gz CZUXZMKXTMWORX-KBPBESRZSA-N 1 2 340.431 2.252 20 30 EEEDLO Cc1nc(N[C@H](C)CN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)ccc1C#N ZINC001115779078 1371709241 /nfs/dbraw/zinc/70/92/41/1371709241.db2.gz DUAFOGWOZYWQIC-GFCCVEGCSA-N 1 2 340.431 2.221 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@@H](O)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001125180282 1372227543 /nfs/dbraw/zinc/22/75/43/1372227543.db2.gz VHMXHZNCBGVLKW-INIZCTEOSA-N 1 2 346.475 2.274 20 30 EEEDLO COc1ccc(N2CC[NH+](Cc3ccc(C#N)nc3)CC2)c(OC)c1 ZINC001140546360 1372600417 /nfs/dbraw/zinc/60/04/17/1372600417.db2.gz FYEZUBFBFKXXAL-UHFFFAOYSA-N 1 2 338.411 2.293 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(CCC#N)CCOC ZINC001357125923 1373210027 /nfs/dbraw/zinc/21/00/27/1373210027.db2.gz GHKQGTBWTRZWGP-MRXNPFEDSA-N 1 2 346.479 2.377 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(CCC#N)CCOC ZINC001357125923 1373210034 /nfs/dbraw/zinc/21/00/34/1373210034.db2.gz GHKQGTBWTRZWGP-MRXNPFEDSA-N 1 2 346.479 2.377 20 30 EEEDLO COCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccccc2C#N)CCC1 ZINC001365793870 1373760436 /nfs/dbraw/zinc/76/04/36/1373760436.db2.gz NJHDZORPOLZHLS-GOSISDBHSA-N 1 2 341.455 2.408 20 30 EEEDLO COCC1(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccccc2C#N)CCC1 ZINC001365793870 1373760440 /nfs/dbraw/zinc/76/04/40/1373760440.db2.gz NJHDZORPOLZHLS-GOSISDBHSA-N 1 2 341.455 2.408 20 30 EEEDLO C=C(Cl)C[N@H+](C)CC1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC001366885438 1374047736 /nfs/dbraw/zinc/04/77/36/1374047736.db2.gz RGFSIYPZZFVJQE-UHFFFAOYSA-N 1 2 347.850 2.494 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC001366885438 1374047738 /nfs/dbraw/zinc/04/77/38/1374047738.db2.gz RGFSIYPZZFVJQE-UHFFFAOYSA-N 1 2 347.850 2.494 20 30 EEEDLO CS[C@H](C)CC(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001366963073 1374071396 /nfs/dbraw/zinc/07/13/96/1374071396.db2.gz OKKHCGJKDNEFTE-GFCCVEGCSA-N 1 2 335.448 2.387 20 30 EEEDLO Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001371933160 1375676957 /nfs/dbraw/zinc/67/69/57/1375676957.db2.gz ICTYHTCNRFSSHK-HNNXBMFYSA-N 1 2 344.459 2.265 20 30 EEEDLO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001371933160 1375676961 /nfs/dbraw/zinc/67/69/61/1375676961.db2.gz ICTYHTCNRFSSHK-HNNXBMFYSA-N 1 2 344.459 2.265 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccccc1C(=O)N(C)C ZINC001372467975 1376023046 /nfs/dbraw/zinc/02/30/46/1376023046.db2.gz VGYJUBLCBRYPPY-UHFFFAOYSA-N 1 2 337.851 2.193 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccccc1C(=O)N(C)C ZINC001372467975 1376023051 /nfs/dbraw/zinc/02/30/51/1376023051.db2.gz VGYJUBLCBRYPPY-UHFFFAOYSA-N 1 2 337.851 2.193 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CCC)C(=O)CC(C)(C)O)C1 ZINC001373097967 1376413830 /nfs/dbraw/zinc/41/38/30/1376413830.db2.gz SSENBQOLXJAFJN-CYBMUJFWSA-N 1 2 347.297 2.369 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CC(C)(C)O)C1 ZINC001373097967 1376413832 /nfs/dbraw/zinc/41/38/32/1376413832.db2.gz SSENBQOLXJAFJN-CYBMUJFWSA-N 1 2 347.297 2.369 20 30 EEEDLO CC(C)[C@@H](O)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001390122653 1388446860 /nfs/dbraw/zinc/44/68/60/1388446860.db2.gz IAGVOTHGUIHHPJ-SJLPKXTDSA-N 1 2 347.434 2.185 20 30 EEEDLO CC(C)[C@@H](O)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001390122653 1388446864 /nfs/dbraw/zinc/44/68/64/1388446864.db2.gz IAGVOTHGUIHHPJ-SJLPKXTDSA-N 1 2 347.434 2.185 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC001375406176 1377701216 /nfs/dbraw/zinc/70/12/16/1377701216.db2.gz YDJNNHCAQQLGOJ-LBPRGKRZSA-N 1 2 342.374 2.379 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001376294723 1378441491 /nfs/dbraw/zinc/44/14/91/1378441491.db2.gz PMVOIVYTOBSLCX-ZDUSSCGKSA-N 1 2 347.850 2.494 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001376294723 1378441494 /nfs/dbraw/zinc/44/14/94/1378441494.db2.gz PMVOIVYTOBSLCX-ZDUSSCGKSA-N 1 2 347.850 2.494 20 30 EEEDLO CC(C)SCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001378029412 1379652596 /nfs/dbraw/zinc/65/25/96/1379652596.db2.gz XIHQMKDNYDEJDR-IRXDYDNUSA-N 1 2 329.469 2.485 20 30 EEEDLO CC(C)SCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001378029412 1379652598 /nfs/dbraw/zinc/65/25/98/1379652598.db2.gz XIHQMKDNYDEJDR-IRXDYDNUSA-N 1 2 329.469 2.485 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CCc2cnn(C)c2C)C1 ZINC001378202597 1379783812 /nfs/dbraw/zinc/78/38/12/1379783812.db2.gz JQSHHMFKYYFZIY-MRXNPFEDSA-N 1 2 338.883 2.336 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCc2cnn(C)c2C)C1 ZINC001378202597 1379783814 /nfs/dbraw/zinc/78/38/14/1379783814.db2.gz JQSHHMFKYYFZIY-MRXNPFEDSA-N 1 2 338.883 2.336 20 30 EEEDLO CCCc1noc(C[NH2+]Cc2ccc(CNC(=O)[C@H](C)C#N)cc2)n1 ZINC001378458836 1380002276 /nfs/dbraw/zinc/00/22/76/1380002276.db2.gz FRPWPQMZWHYOGQ-CYBMUJFWSA-N 1 2 341.415 2.088 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001391356928 1389307221 /nfs/dbraw/zinc/30/72/21/1389307221.db2.gz PULORNWUKFWKKJ-GFCCVEGCSA-N 1 2 333.823 2.104 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001391356928 1389307227 /nfs/dbraw/zinc/30/72/27/1389307227.db2.gz PULORNWUKFWKKJ-GFCCVEGCSA-N 1 2 333.823 2.104 20 30 EEEDLO Cc1nc([C@H](C)[N@@H+](C)CCC2CCN(C(=O)[C@H](C)C#N)CC2)no1 ZINC001392187971 1389877216 /nfs/dbraw/zinc/87/72/16/1389877216.db2.gz NGTOPRDMLPMUEA-OLZOCXBDSA-N 1 2 333.436 2.159 20 30 EEEDLO Cc1nc([C@H](C)[N@H+](C)CCC2CCN(C(=O)[C@H](C)C#N)CC2)no1 ZINC001392187971 1389877219 /nfs/dbraw/zinc/87/72/19/1389877219.db2.gz NGTOPRDMLPMUEA-OLZOCXBDSA-N 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332.448 2.200 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C[C@@H]1C ZINC001112400604 1410900210 /nfs/dbraw/zinc/90/02/10/1410900210.db2.gz OSOMMUJBRDNTDE-BBRMVZONSA-N 1 2 344.459 2.196 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC34CCC4)C2)cc1F ZINC001032013055 782314554 /nfs/dbraw/zinc/31/45/54/782314554.db2.gz YPTLFUONIQCLDJ-INIZCTEOSA-N 1 2 327.403 2.436 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001111988268 761941384 /nfs/dbraw/zinc/94/13/84/761941384.db2.gz ZJZJRFYJNRLMNL-VQIMIIECSA-N 1 2 346.475 2.204 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)C[C@H](O)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001125272448 756977001 /nfs/dbraw/zinc/97/70/01/756977001.db2.gz RHBYUICJEBAHGG-IRXDYDNUSA-N 1 2 348.491 2.260 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001098525817 757236048 /nfs/dbraw/zinc/23/60/48/757236048.db2.gz BWWSWQZXTXIOKK-HNAYVOBHSA-N 1 2 346.475 2.496 20 30 EEEDLO N#Cc1ncccc1Nc1ccc(N2CC[NH+](C3COC3)CC2)cc1 ZINC001210148591 757674739 /nfs/dbraw/zinc/67/47/39/757674739.db2.gz NNAHZKZHVCQZIG-UHFFFAOYSA-N 1 2 335.411 2.218 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(CC)n2)CCO1 ZINC001104329899 759491239 /nfs/dbraw/zinc/49/12/39/759491239.db2.gz CEFALPMIKOTXOO-OAHLLOKOSA-N 1 2 346.475 2.271 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(F)c1 ZINC001111489755 759907911 /nfs/dbraw/zinc/90/79/11/759907911.db2.gz KJCMXTLGYKUQKK-DXEWXGHRSA-N 1 2 333.407 2.033 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(F)c1 ZINC001111489755 759907921 /nfs/dbraw/zinc/90/79/21/759907921.db2.gz KJCMXTLGYKUQKK-DXEWXGHRSA-N 1 2 333.407 2.033 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)c3ccc(C)s3)[C@H]2C1 ZINC001083247369 760700883 /nfs/dbraw/zinc/70/08/83/760700883.db2.gz MXUXCKKHHSBMJE-OWCLPIDISA-N 1 2 332.469 2.095 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)c3ccc(C)s3)[C@H]2C1 ZINC001083247369 760700890 /nfs/dbraw/zinc/70/08/90/760700890.db2.gz MXUXCKKHHSBMJE-OWCLPIDISA-N 1 2 332.469 2.095 20 30 EEEDLO C=CCCC(=O)N1CCO[C@H](CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001111939112 761593997 /nfs/dbraw/zinc/59/39/97/761593997.db2.gz QWEQDKXRBLLZRQ-OAHLLOKOSA-N 1 2 330.432 2.268 20 30 EEEDLO Cc1cc(NC[C@@H](C)N(C)C(=O)c2c[nH]c(C#N)c2)nc(C2CC2)[nH+]1 ZINC001104522793 761688170 /nfs/dbraw/zinc/68/81/70/761688170.db2.gz AXNAIVMHJXGPIY-GFCCVEGCSA-N 1 2 338.415 2.435 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001104693098 764752668 /nfs/dbraw/zinc/75/26/68/764752668.db2.gz CGUDQJBTMOPQSS-CYBMUJFWSA-N 1 2 342.447 2.391 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N(C)[C@@H](C)CNc2ncccc2C#N)c[nH+]1 ZINC001104864737 765455836 /nfs/dbraw/zinc/45/58/36/765455836.db2.gz PQVWJUFJBJQNJE-AWEZNQCLSA-N 1 2 340.431 2.152 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@@H](CC(C)C)NC(=O)Cn2cc[nH+]c2)n1 ZINC001104953071 765650454 /nfs/dbraw/zinc/65/04/54/765650454.db2.gz QZLFNFBKFLIRQW-MRXNPFEDSA-N 1 2 340.431 2.101 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CCCCC1 ZINC001105020897 768886875 /nfs/dbraw/zinc/88/68/75/768886875.db2.gz SAGPNPLCYSGIDF-YOEHRIQHSA-N 1 2 344.459 2.300 20 30 EEEDLO C[C@H](C[C@@H](C)Nc1ncc(C#N)cc1F)NC(=O)CCn1cc[nH+]c1 ZINC001089443249 769246575 /nfs/dbraw/zinc/24/65/75/769246575.db2.gz AGRFEMMYNYDSIM-CHWSQXEVSA-N 1 2 344.394 2.074 20 30 EEEDLO C=CCCCC(=O)N[C@@H](C)C[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001089451001 769350838 /nfs/dbraw/zinc/35/08/38/769350838.db2.gz BVHYDZSVABHGRU-QWHCGFSZSA-N 1 2 334.468 2.298 20 30 EEEDLO C=CCCC1(C(=O)N2CC(n3cc(C[NH2+]C[C@H](F)CC)nn3)C2)CC1 ZINC001105322395 769710516 /nfs/dbraw/zinc/71/05/16/769710516.db2.gz NWFIYWBQERUKIF-CQSZACIVSA-N 1 2 349.454 2.246 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1CCCOC1 ZINC001031570273 769748285 /nfs/dbraw/zinc/74/82/85/769748285.db2.gz QGFXUCXDUPCUNM-KRWDZBQOSA-N 1 2 346.858 2.166 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C)n1 ZINC001125974711 769817985 /nfs/dbraw/zinc/81/79/85/769817985.db2.gz OTPYRKAWNLBKAK-AWEZNQCLSA-N 1 2 340.431 2.170 20 30 EEEDLO C[C@H](C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)Nc1ccc(C#N)nn1 ZINC001089495606 769883504 /nfs/dbraw/zinc/88/35/04/769883504.db2.gz IYBFTRVMZZBBFQ-NEPJUHHUSA-N 1 2 349.398 2.234 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ncnn3CCC)C[C@H]2C)C1 ZINC000942602253 782834375 /nfs/dbraw/zinc/83/43/75/782834375.db2.gz GKSLNYDMSZCGKV-HZPDHXFCSA-N 1 2 345.491 2.371 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3ncnn3CCC)C[C@H]2C)C1 ZINC000942602253 782834381 /nfs/dbraw/zinc/83/43/81/782834381.db2.gz GKSLNYDMSZCGKV-HZPDHXFCSA-N 1 2 345.491 2.371 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccnc(Cl)c2)c1 ZINC001027811818 770446885 /nfs/dbraw/zinc/44/68/85/770446885.db2.gz AIHWTAPLNAUVPO-AWEZNQCLSA-N 1 2 343.818 2.329 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccnc(Cl)c2)c1 ZINC001027811818 770446890 /nfs/dbraw/zinc/44/68/90/770446890.db2.gz AIHWTAPLNAUVPO-AWEZNQCLSA-N 1 2 343.818 2.329 20 30 EEEDLO Cc1cnccc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031652854 770647711 /nfs/dbraw/zinc/64/77/11/770647711.db2.gz UTYZYNICULJLMZ-UHFFFAOYSA-N 1 2 338.386 2.263 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1CC1(F)F ZINC001031656104 770675576 /nfs/dbraw/zinc/67/55/76/770675576.db2.gz SYGUOMZBZTYNCJ-OAHLLOKOSA-N 1 2 338.785 2.395 20 30 EEEDLO C#CCn1ccc(CN(CCOC)c2cc(CC)[nH+]c(CC)n2)n1 ZINC000893562635 770732206 /nfs/dbraw/zinc/73/22/06/770732206.db2.gz CHGIZYIXQFPYKO-UHFFFAOYSA-N 1 2 327.432 2.084 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(Cl)nc2)c[nH]1 ZINC001027832844 770985245 /nfs/dbraw/zinc/98/52/45/770985245.db2.gz KMOHVDMAMVKUKO-OAHLLOKOSA-N 1 2 343.818 2.329 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(Cl)nc2)c[nH]1 ZINC001027832844 770985254 /nfs/dbraw/zinc/98/52/54/770985254.db2.gz KMOHVDMAMVKUKO-OAHLLOKOSA-N 1 2 343.818 2.329 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cccc(Cl)n2)c[nH]1 ZINC001027833501 773211609 /nfs/dbraw/zinc/21/16/09/773211609.db2.gz RCKLSEWWKFIYGH-HNNXBMFYSA-N 1 2 343.818 2.329 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cccc(Cl)n2)c[nH]1 ZINC001027833501 773211613 /nfs/dbraw/zinc/21/16/13/773211613.db2.gz RCKLSEWWKFIYGH-HNNXBMFYSA-N 1 2 343.818 2.329 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc3ccccc3c(=O)o2)C1 ZINC001031699274 773404786 /nfs/dbraw/zinc/40/47/86/773404786.db2.gz OYMRWSDVROKHPF-UHFFFAOYSA-N 1 2 332.787 2.207 20 30 EEEDLO Cc1c[nH]nc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001027876674 773852138 /nfs/dbraw/zinc/85/21/38/773852138.db2.gz SGABHTFEOYBCEG-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1c[nH]nc1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001027876674 773852145 /nfs/dbraw/zinc/85/21/45/773852145.db2.gz SGABHTFEOYBCEG-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3[nH]nc4c3CCC4)C[C@@H]2C1 ZINC000980144951 773943872 /nfs/dbraw/zinc/94/38/72/773943872.db2.gz JSNXXHGXIGOJIJ-BFHYXJOUSA-N 1 2 348.878 2.481 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3[nH]nc4c3CCC4)C[C@@H]2C1 ZINC000980144951 773943879 /nfs/dbraw/zinc/94/38/79/773943879.db2.gz JSNXXHGXIGOJIJ-BFHYXJOUSA-N 1 2 348.878 2.481 20 30 EEEDLO CCc1cccc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)n1 ZINC001031735965 774099392 /nfs/dbraw/zinc/09/93/92/774099392.db2.gz BIGQVVGVFCZCFV-UHFFFAOYSA-N 1 2 334.423 2.377 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)C[C@H]3CCOC3)CC2)ccc1F ZINC000980878823 775911579 /nfs/dbraw/zinc/91/15/79/775911579.db2.gz CRMKQGDDTGHNKX-MRXNPFEDSA-N 1 2 345.418 2.158 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)C[C@H]3CCOC3)CC2)ccc1F ZINC000980878823 775911589 /nfs/dbraw/zinc/91/15/89/775911589.db2.gz CRMKQGDDTGHNKX-MRXNPFEDSA-N 1 2 345.418 2.158 20 30 EEEDLO CO[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1)C1CC1 ZINC000981075608 776482683 /nfs/dbraw/zinc/48/26/83/776482683.db2.gz JXLPHAKCYMRPCQ-INIZCTEOSA-N 1 2 333.457 2.079 20 30 EEEDLO CO[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1)C1CC1 ZINC000981075608 776482688 /nfs/dbraw/zinc/48/26/88/776482688.db2.gz JXLPHAKCYMRPCQ-INIZCTEOSA-N 1 2 333.457 2.079 20 30 EEEDLO COc1cc(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)ccn1 ZINC000981525825 777585737 /nfs/dbraw/zinc/58/57/37/777585737.db2.gz SAMZNKMVGWHKIP-UHFFFAOYSA-N 1 2 349.434 2.290 20 30 EEEDLO COc1cc(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)ccn1 ZINC000981525825 777585743 /nfs/dbraw/zinc/58/57/43/777585743.db2.gz SAMZNKMVGWHKIP-UHFFFAOYSA-N 1 2 349.434 2.290 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000981529400 777602409 /nfs/dbraw/zinc/60/24/09/777602409.db2.gz YRZKQUAMVCAKQE-UHFFFAOYSA-N 1 2 349.438 2.118 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000981529400 777602413 /nfs/dbraw/zinc/60/24/13/777602413.db2.gz YRZKQUAMVCAKQE-UHFFFAOYSA-N 1 2 349.438 2.118 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)N(C)c2ccccc2)CC1 ZINC000981754206 778140342 /nfs/dbraw/zinc/14/03/42/778140342.db2.gz XSVLZZPRQMOUFZ-UHFFFAOYSA-N 1 2 343.471 2.396 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](CC(=O)N(C)c2ccccc2)CC1 ZINC000981754206 778140345 /nfs/dbraw/zinc/14/03/45/778140345.db2.gz XSVLZZPRQMOUFZ-UHFFFAOYSA-N 1 2 343.471 2.396 20 30 EEEDLO Cc1cocc1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031901304 779024878 /nfs/dbraw/zinc/02/48/78/779024878.db2.gz QPLLWNMAJGASFM-UHFFFAOYSA-N 1 2 327.359 2.461 20 30 EEEDLO Cc1nc(NCCC2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)cc[nH+]1 ZINC001063317001 790684724 /nfs/dbraw/zinc/68/47/24/790684724.db2.gz NADOMUQZMSHTLK-UHFFFAOYSA-N 1 2 338.415 2.339 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@H]3CC[C@@H](F)C3)C2)c1 ZINC001031930486 779986165 /nfs/dbraw/zinc/98/61/65/779986165.db2.gz XNFKZQRHPBBIRD-GOEBONIOSA-N 1 2 333.382 2.384 20 30 EEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000846988595 790797245 /nfs/dbraw/zinc/79/72/45/790797245.db2.gz UFNMUGHJVYEWAN-LSDHHAIUSA-N 1 2 330.432 2.132 20 30 EEEDLO CCc1ncncc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC001028321632 780720164 /nfs/dbraw/zinc/72/01/64/780720164.db2.gz MFNYMFDXOBXLBI-KRWDZBQOSA-N 1 2 349.438 2.305 20 30 EEEDLO CCc1ncncc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC001028321632 780720168 /nfs/dbraw/zinc/72/01/68/780720168.db2.gz MFNYMFDXOBXLBI-KRWDZBQOSA-N 1 2 349.438 2.305 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)C3CC4(CC4)C3)C2)c(F)c1 ZINC001031963065 780785989 /nfs/dbraw/zinc/78/59/89/780785989.db2.gz DDILNTHTCWAJPB-UHFFFAOYSA-N 1 2 327.403 2.436 20 30 EEEDLO C#Cc1cncc(C(=O)NCC2C[NH+](Cc3ccc(F)cc3F)C2)c1 ZINC001031963238 780821447 /nfs/dbraw/zinc/82/14/47/780821447.db2.gz HZLZDNXZGBDZEO-UHFFFAOYSA-N 1 2 341.361 2.203 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](CCCC)C(C)C)C2)nn1 ZINC001105379107 781193591 /nfs/dbraw/zinc/19/35/91/781193591.db2.gz QCEZUCPVIZQBCT-SFHVURJKSA-N 1 2 345.491 2.237 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2nocc2C)C1 ZINC001087468964 781314167 /nfs/dbraw/zinc/31/41/67/781314167.db2.gz BCEWGYDZHHPSIC-IAGOWNOFSA-N 1 2 341.386 2.343 20 30 EEEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2nocc2C)C1 ZINC001087468964 781314176 /nfs/dbraw/zinc/31/41/76/781314176.db2.gz BCEWGYDZHHPSIC-IAGOWNOFSA-N 1 2 341.386 2.343 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](n2cc(C[NH2+]C/C=C\Cl)nn2)C1 ZINC001098697971 781448388 /nfs/dbraw/zinc/44/83/88/781448388.db2.gz MXJUWSCAWKHXQS-VSKVDJIOSA-N 1 2 337.855 2.106 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001031985720 781524758 /nfs/dbraw/zinc/52/47/58/781524758.db2.gz PKXXHKCTUILFIU-KDOFPFPSSA-N 1 2 346.858 2.165 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ccns2)[C@H](C)C1 ZINC000942100633 781723347 /nfs/dbraw/zinc/72/33/47/781723347.db2.gz OVUOOVRTVGMMDA-MWLCHTKSSA-N 1 2 344.278 2.492 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ccns2)[C@H](C)C1 ZINC000942100633 781723350 /nfs/dbraw/zinc/72/33/50/781723350.db2.gz OVUOOVRTVGMMDA-MWLCHTKSSA-N 1 2 344.278 2.492 20 30 EEEDLO CCN(CCNc1ccc(C#N)cn1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001106990486 783240188 /nfs/dbraw/zinc/24/01/88/783240188.db2.gz NTAMYNFPDSBFPE-UHFFFAOYSA-N 1 2 334.383 2.404 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091471748 790934173 /nfs/dbraw/zinc/93/41/73/790934173.db2.gz OVQQJOHJQOKHLT-RZDIXWSQSA-N 1 2 334.423 2.316 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ncc(C)o2)C1 ZINC001131939768 783496999 /nfs/dbraw/zinc/49/69/99/783496999.db2.gz VHYGUHNBOLFPSN-GOEBONIOSA-N 1 2 335.448 2.435 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ncc(C)o2)C1 ZINC001131939768 783497004 /nfs/dbraw/zinc/49/70/04/783497004.db2.gz VHYGUHNBOLFPSN-GOEBONIOSA-N 1 2 335.448 2.435 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001131947913 783511973 /nfs/dbraw/zinc/51/19/73/783511973.db2.gz ZJTNVQZHPKMMHG-DZGCQCFKSA-N 1 2 337.851 2.407 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001131947913 783511984 /nfs/dbraw/zinc/51/19/84/783511984.db2.gz ZJTNVQZHPKMMHG-DZGCQCFKSA-N 1 2 337.851 2.407 20 30 EEEDLO C=C1CCC(C(=O)N(CC)[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000942954850 783547776 /nfs/dbraw/zinc/54/77/76/783547776.db2.gz GEYABCUWCNZTEH-KRWDZBQOSA-N 1 2 344.459 2.079 20 30 EEEDLO C[C@H](C[C@H](C)NC(=O)c1[nH]ncc1F)[NH2+]Cc1ccc(C#N)cc1F ZINC001135408422 783722362 /nfs/dbraw/zinc/72/23/62/783722362.db2.gz XHVQDCUJHAJVPD-MNOVXSKESA-N 1 2 347.369 2.246 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)c(Cl)n2C)C1 ZINC001035386966 784426024 /nfs/dbraw/zinc/42/60/24/784426024.db2.gz TUOTXGKMRBQWKK-NSHDSACASA-N 1 2 346.258 2.339 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)c(Cl)n2C)C1 ZINC001035386966 784426026 /nfs/dbraw/zinc/42/60/26/784426026.db2.gz TUOTXGKMRBQWKK-NSHDSACASA-N 1 2 346.258 2.339 20 30 EEEDLO Cn1c(C#N)ccc1C(=O)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817189411 784539351 /nfs/dbraw/zinc/53/93/51/784539351.db2.gz XYCFEWJTOCLFEM-UHFFFAOYSA-N 1 2 339.395 2.086 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(F)c3ccncc23)C1 ZINC001035483336 784564585 /nfs/dbraw/zinc/56/45/85/784564585.db2.gz NFXXSEDTYOTNRP-AWEZNQCLSA-N 1 2 343.402 2.381 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(F)c3ccncc23)C1 ZINC001035483336 784564593 /nfs/dbraw/zinc/56/45/93/784564593.db2.gz NFXXSEDTYOTNRP-AWEZNQCLSA-N 1 2 343.402 2.381 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc3ncccc3s2)C1 ZINC001035463408 784585329 /nfs/dbraw/zinc/58/53/29/784585329.db2.gz HRMURTKFKCLXSQ-CYBMUJFWSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc3ncccc3s2)C1 ZINC001035463408 784585338 /nfs/dbraw/zinc/58/53/38/784585338.db2.gz HRMURTKFKCLXSQ-CYBMUJFWSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC001035600517 784758269 /nfs/dbraw/zinc/75/82/69/784758269.db2.gz SBFPIUJHZOOTRS-OAHLLOKOSA-N 1 2 346.475 2.075 20 30 EEEDLO C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC001035600517 784758278 /nfs/dbraw/zinc/75/82/78/784758278.db2.gz SBFPIUJHZOOTRS-OAHLLOKOSA-N 1 2 346.475 2.075 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)c(F)cc2Cl)C1 ZINC001035602174 784761753 /nfs/dbraw/zinc/76/17/53/784761753.db2.gz YJUMAEUYRPCSPD-JTQLQIEISA-N 1 2 330.762 2.235 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(F)c(F)cc2Cl)C1 ZINC001035602174 784761758 /nfs/dbraw/zinc/76/17/58/784761758.db2.gz YJUMAEUYRPCSPD-JTQLQIEISA-N 1 2 330.762 2.235 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C(F)(F)F)s2)C1 ZINC001035623088 784814771 /nfs/dbraw/zinc/81/47/71/784814771.db2.gz WOXYLSWACSNHRJ-NSHDSACASA-N 1 2 346.374 2.221 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C(F)(F)F)s2)C1 ZINC001035623088 784814777 /nfs/dbraw/zinc/81/47/77/784814777.db2.gz WOXYLSWACSNHRJ-NSHDSACASA-N 1 2 346.374 2.221 20 30 EEEDLO CC(C)=CC(=O)NC[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001149118057 791078324 /nfs/dbraw/zinc/07/83/24/791078324.db2.gz YLNJSIPVXQNNTO-KRWDZBQOSA-N 1 2 345.418 2.371 20 30 EEEDLO CC(C)=CC(=O)NC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001149118057 791078331 /nfs/dbraw/zinc/07/83/31/791078331.db2.gz YLNJSIPVXQNNTO-KRWDZBQOSA-N 1 2 345.418 2.371 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2[C@H](CCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000946002280 785279908 /nfs/dbraw/zinc/27/99/08/785279908.db2.gz RFHBAPPFDNNCOH-HUUCEWRRSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncoc2C(C)C)[C@@H]1C ZINC001088868536 791107977 /nfs/dbraw/zinc/10/79/77/791107977.db2.gz KAXPHXKWWJPPPZ-AIANPOQGSA-N 1 2 347.459 2.468 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncoc2C(C)C)[C@@H]1C ZINC001088868536 791107983 /nfs/dbraw/zinc/10/79/83/791107983.db2.gz KAXPHXKWWJPPPZ-AIANPOQGSA-N 1 2 347.459 2.468 20 30 EEEDLO CN(C)c1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1C(F)(F)F ZINC000819492268 785565775 /nfs/dbraw/zinc/56/57/75/785565775.db2.gz ADBPJAPSBBNQLZ-CYBMUJFWSA-N 1 2 344.381 2.390 20 30 EEEDLO CN(C)c1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1C(F)(F)F ZINC000819492268 785565780 /nfs/dbraw/zinc/56/57/80/785565780.db2.gz ADBPJAPSBBNQLZ-CYBMUJFWSA-N 1 2 344.381 2.390 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001078994901 785593514 /nfs/dbraw/zinc/59/35/14/785593514.db2.gz JLAGZQKIJZYMRB-DLBZAZTESA-N 1 2 346.475 2.325 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)c(F)c2F)[C@@H](O)C1 ZINC001090529065 785649859 /nfs/dbraw/zinc/64/98/59/785649859.db2.gz PBKKEGHAGDDJFC-NEPJUHHUSA-N 1 2 348.752 2.021 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)c(F)c2F)[C@@H](O)C1 ZINC001090529065 785649863 /nfs/dbraw/zinc/64/98/63/785649863.db2.gz PBKKEGHAGDDJFC-NEPJUHHUSA-N 1 2 348.752 2.021 20 30 EEEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1COC2(CCOCC2)O1 ZINC000820680530 786015673 /nfs/dbraw/zinc/01/56/73/786015673.db2.gz BVQOXABTKDQUPZ-HNNXBMFYSA-N 1 2 332.400 2.208 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C3(CCCC)CC3)nn2)C1 ZINC001107205007 786396745 /nfs/dbraw/zinc/39/67/45/786396745.db2.gz MCCOFNWNIRGNGL-UHFFFAOYSA-N 1 2 331.464 2.298 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)CC ZINC001109592436 805727133 /nfs/dbraw/zinc/72/71/33/805727133.db2.gz RWJJTWXVNJODFU-WCVJEAGWSA-N 1 2 335.492 2.225 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)CC ZINC001109592436 805727139 /nfs/dbraw/zinc/72/71/39/805727139.db2.gz RWJJTWXVNJODFU-WCVJEAGWSA-N 1 2 335.492 2.225 20 30 EEEDLO C=CCC(CC=C)C(=O)NC/C=C\CNc1[nH+]cnc2c1cnn2C ZINC001107352317 786959278 /nfs/dbraw/zinc/95/92/78/786959278.db2.gz JGRGUXKKIBQCAH-SREVYHEPSA-N 1 2 340.431 2.216 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H](O)C1 ZINC001090599958 787192236 /nfs/dbraw/zinc/19/22/36/787192236.db2.gz JDIHWSPAJNHOHG-GDBMZVCRSA-N 1 2 333.819 2.085 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H](O)C1 ZINC001090599958 787192242 /nfs/dbraw/zinc/19/22/42/787192242.db2.gz JDIHWSPAJNHOHG-GDBMZVCRSA-N 1 2 333.819 2.085 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC/C=C/CNc1[nH+]cnc2c1cnn2C ZINC001107495831 787417279 /nfs/dbraw/zinc/41/72/79/787417279.db2.gz NCQWSWPBKWWPNW-IWAYRVGRSA-N 1 2 328.420 2.050 20 30 EEEDLO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001067513026 787545777 /nfs/dbraw/zinc/54/57/77/787545777.db2.gz HZNRQMKGXACVBB-HNNXBMFYSA-N 1 2 334.464 2.252 20 30 EEEDLO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001067513026 787545787 /nfs/dbraw/zinc/54/57/87/787545787.db2.gz HZNRQMKGXACVBB-HNNXBMFYSA-N 1 2 334.464 2.252 20 30 EEEDLO N#Cc1cnc(NC/C=C\CNC(=O)CCc2c[nH]c[nH+]2)c(Cl)c1 ZINC001107566678 787673216 /nfs/dbraw/zinc/67/32/16/787673216.db2.gz VXYCKECDPZGKNW-UPHRSURJSA-N 1 2 344.806 2.047 20 30 EEEDLO N#Cc1cnc(NC/C=C\CNC(=O)CCc2c[nH+]c[nH]2)c(Cl)c1 ZINC001107566678 787673221 /nfs/dbraw/zinc/67/32/21/787673221.db2.gz VXYCKECDPZGKNW-UPHRSURJSA-N 1 2 344.806 2.047 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001062316025 787876957 /nfs/dbraw/zinc/87/69/57/787876957.db2.gz LYMOPEQFGFFULO-IAGOWNOFSA-N 1 2 346.475 2.373 20 30 EEEDLO CC(C)=CC(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107710058 788109895 /nfs/dbraw/zinc/10/98/95/788109895.db2.gz PCOPODRQYFJTLE-IBGZPJMESA-N 1 2 327.428 2.232 20 30 EEEDLO CC(C)=CC(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107710058 788109897 /nfs/dbraw/zinc/10/98/97/788109897.db2.gz PCOPODRQYFJTLE-IBGZPJMESA-N 1 2 327.428 2.232 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3[nH]ccc3s2)[C@H](O)C1 ZINC001090765611 788162739 /nfs/dbraw/zinc/16/27/39/788162739.db2.gz WPIVLSYUELGTHF-ZYHUDNBSSA-N 1 2 339.848 2.147 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3[nH]ccc3s2)[C@H](O)C1 ZINC001090765611 788162745 /nfs/dbraw/zinc/16/27/45/788162745.db2.gz WPIVLSYUELGTHF-ZYHUDNBSSA-N 1 2 339.848 2.147 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2occ3c2CCCC3)[C@@H](O)C1 ZINC001090765808 788163993 /nfs/dbraw/zinc/16/39/93/788163993.db2.gz YFVBFQDIJHLUOE-CABCVRRESA-N 1 2 338.835 2.076 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2occ3c2CCCC3)[C@@H](O)C1 ZINC001090765808 788163997 /nfs/dbraw/zinc/16/39/97/788163997.db2.gz YFVBFQDIJHLUOE-CABCVRRESA-N 1 2 338.835 2.076 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(Cl)cc2)[C@@H](O)C1 ZINC001090770863 788193000 /nfs/dbraw/zinc/19/30/00/788193000.db2.gz LWVCWIDLNXEVQJ-CABCVRRESA-N 1 2 343.254 2.186 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(Cl)cc2)[C@@H](O)C1 ZINC001090770863 788193004 /nfs/dbraw/zinc/19/30/04/788193004.db2.gz LWVCWIDLNXEVQJ-CABCVRRESA-N 1 2 343.254 2.186 20 30 EEEDLO CCCCC(=O)NC[C@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107743066 788202846 /nfs/dbraw/zinc/20/28/46/788202846.db2.gz IJAFYYNUHVNRCD-LJQANCHMSA-N 1 2 329.444 2.456 20 30 EEEDLO CCCCC(=O)NC[C@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107743066 788202851 /nfs/dbraw/zinc/20/28/51/788202851.db2.gz IJAFYYNUHVNRCD-LJQANCHMSA-N 1 2 329.444 2.456 20 30 EEEDLO Cc1ccc(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)o1 ZINC001032362242 788292204 /nfs/dbraw/zinc/29/22/04/788292204.db2.gz QNKRQLNZQCQKOG-ROUUACIJSA-N 1 2 335.407 2.488 20 30 EEEDLO Cc1ccc(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)o1 ZINC001032362242 788292209 /nfs/dbraw/zinc/29/22/09/788292209.db2.gz QNKRQLNZQCQKOG-ROUUACIJSA-N 1 2 335.407 2.488 20 30 EEEDLO C#CCCOc1ccc(C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)cc1 ZINC000824914547 788345475 /nfs/dbraw/zinc/34/54/75/788345475.db2.gz UQHNEHVBNCWJRI-KRWDZBQOSA-N 1 2 335.469 2.488 20 30 EEEDLO C#CCCOc1ccc(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)cc1 ZINC000824914547 788345483 /nfs/dbraw/zinc/34/54/83/788345483.db2.gz UQHNEHVBNCWJRI-KRWDZBQOSA-N 1 2 335.469 2.488 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(OC)n1 ZINC001109678998 805877565 /nfs/dbraw/zinc/87/75/65/805877565.db2.gz ONSPWIRKKUSWBQ-DRMAHVMPSA-N 1 2 344.459 2.309 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(OC)n1 ZINC001109678998 805877575 /nfs/dbraw/zinc/87/75/75/805877575.db2.gz ONSPWIRKKUSWBQ-DRMAHVMPSA-N 1 2 344.459 2.309 20 30 EEEDLO C[C@H](CNc1ncccc1C#N)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001107904473 789205523 /nfs/dbraw/zinc/20/55/23/789205523.db2.gz XLGYGQJXNYKRHQ-CQSZACIVSA-N 1 2 346.394 2.369 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001060266215 789246975 /nfs/dbraw/zinc/24/69/75/789246975.db2.gz JAIATNLGSMVPSI-CYBMUJFWSA-N 1 2 341.390 2.456 20 30 EEEDLO N#Cc1ccc(CN2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)nc1 ZINC001144157491 789305693 /nfs/dbraw/zinc/30/56/93/789305693.db2.gz LBZFEZCPYVEJEA-KRWDZBQOSA-N 1 2 337.427 2.208 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(OC)n1 ZINC001109769734 805953806 /nfs/dbraw/zinc/95/38/06/805953806.db2.gz QXOXYSCIQKNLRK-PMPSAXMXSA-N 1 2 344.459 2.309 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(OC)n1 ZINC001109769734 805953812 /nfs/dbraw/zinc/95/38/12/805953812.db2.gz QXOXYSCIQKNLRK-PMPSAXMXSA-N 1 2 344.459 2.309 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001091006505 789369382 /nfs/dbraw/zinc/36/93/82/789369382.db2.gz ZJBVKKDTEYVVAM-FVQBIDKESA-N 1 2 344.459 2.206 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H](OCC)C2=CCCC2)C1 ZINC001107945299 789672911 /nfs/dbraw/zinc/67/29/11/789672911.db2.gz DABQFXGJFVMZSD-AZUAARDMSA-N 1 2 348.487 2.122 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H](OCC)C2=CCCC2)C1 ZINC001107945299 789672919 /nfs/dbraw/zinc/67/29/19/789672919.db2.gz DABQFXGJFVMZSD-AZUAARDMSA-N 1 2 348.487 2.122 20 30 EEEDLO COc1cc(C#N)ccc1OCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845284520 789710856 /nfs/dbraw/zinc/71/08/56/789710856.db2.gz MZSDRYGZVSXCCR-ZDUSSCGKSA-N 1 2 329.356 2.337 20 30 EEEDLO C[C@H](CC(=O)O[C@@H]1CCCN(c2cc(C#N)ccn2)C1)n1cc[nH+]c1 ZINC000845526973 789832508 /nfs/dbraw/zinc/83/25/08/789832508.db2.gz DQNDIPIRYAGRGW-GDBMZVCRSA-N 1 2 339.399 2.313 20 30 EEEDLO C#Cc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CO)C2)cc1 ZINC001144573947 789952036 /nfs/dbraw/zinc/95/20/36/789952036.db2.gz VHDWQFDBJMAJLM-QGZVFWFLSA-N 1 2 330.428 2.082 20 30 EEEDLO C#Cc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CO)C2)cc1 ZINC001144573947 789952038 /nfs/dbraw/zinc/95/20/38/789952038.db2.gz VHDWQFDBJMAJLM-QGZVFWFLSA-N 1 2 330.428 2.082 20 30 EEEDLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCN(c2ccc(C#N)cn2)C1 ZINC001063066201 790169242 /nfs/dbraw/zinc/16/92/42/790169242.db2.gz MHHPNXHPPYOVEQ-OAHLLOKOSA-N 1 2 346.394 2.180 20 30 EEEDLO CC(C)CCc1noc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)n1 ZINC000158150764 790202150 /nfs/dbraw/zinc/20/21/50/790202150.db2.gz YLAMZWHKGCAVIH-UHFFFAOYSA-N 1 2 330.388 2.430 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CCCCCC(C)C)[C@@H](n2ccnn2)C1 ZINC001129301155 791277466 /nfs/dbraw/zinc/27/74/66/791277466.db2.gz NKXMARPATJDYII-MSOLQXFVSA-N 1 2 345.491 2.249 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CCCCCC(C)C)[C@@H](n2ccnn2)C1 ZINC001129301155 791277469 /nfs/dbraw/zinc/27/74/69/791277469.db2.gz NKXMARPATJDYII-MSOLQXFVSA-N 1 2 345.491 2.249 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001106067244 791283461 /nfs/dbraw/zinc/28/34/61/791283461.db2.gz SRAIFIWKPQQRFW-GJZGRUSLSA-N 1 2 346.475 2.155 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106080738 791831266 /nfs/dbraw/zinc/83/12/66/791831266.db2.gz SCWVXNHAXWRBHC-KDOFPFPSSA-N 1 2 332.448 2.154 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C/Cl)C2 ZINC001147444984 791839308 /nfs/dbraw/zinc/83/93/08/791839308.db2.gz BLIGWALJZACHBA-YRBHFNIASA-N 1 2 333.259 2.167 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001147444984 791839312 /nfs/dbraw/zinc/83/93/12/791839312.db2.gz BLIGWALJZACHBA-YRBHFNIASA-N 1 2 333.259 2.167 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](N(CC)C(=O)c2n[nH]cc2C(F)(F)F)CC1 ZINC000998023620 791851810 /nfs/dbraw/zinc/85/18/10/791851810.db2.gz RZMCHFUCDDILET-LBPRGKRZSA-N 1 2 342.365 2.378 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2n[nH]cc2C(F)(F)F)CC1 ZINC000998023620 791851814 /nfs/dbraw/zinc/85/18/14/791851814.db2.gz RZMCHFUCDDILET-LBPRGKRZSA-N 1 2 342.365 2.378 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(CNC(C)=O)c2)[C@H]1C ZINC001089049417 791994133 /nfs/dbraw/zinc/99/41/33/791994133.db2.gz JCELIAVKCUHDQA-DYVFJYSZSA-N 1 2 349.862 2.268 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(CNC(C)=O)c2)[C@H]1C ZINC001089049417 791994139 /nfs/dbraw/zinc/99/41/39/791994139.db2.gz JCELIAVKCUHDQA-DYVFJYSZSA-N 1 2 349.862 2.268 20 30 EEEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)CCC(F)F)C2)C1 ZINC001147906248 792053145 /nfs/dbraw/zinc/05/31/45/792053145.db2.gz ZUZKNADXPVUHOI-UHFFFAOYSA-N 1 2 337.208 2.475 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)CCC(F)F)C2)C1 ZINC001147906248 792053154 /nfs/dbraw/zinc/05/31/54/792053154.db2.gz ZUZKNADXPVUHOI-UHFFFAOYSA-N 1 2 337.208 2.475 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(CC)o1)C2 ZINC001148088430 792174329 /nfs/dbraw/zinc/17/43/29/792174329.db2.gz MNJDZFAOLAUFFX-UONOGXRCSA-N 1 2 332.448 2.125 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nnc(CC)o1)C2 ZINC001148088430 792174335 /nfs/dbraw/zinc/17/43/35/792174335.db2.gz MNJDZFAOLAUFFX-UONOGXRCSA-N 1 2 332.448 2.125 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(CC)o1)C2 ZINC001148088431 792174693 /nfs/dbraw/zinc/17/46/93/792174693.db2.gz MNJDZFAOLAUFFX-ZIAGYGMSSA-N 1 2 332.448 2.125 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nnc(CC)o1)C2 ZINC001148088431 792174698 /nfs/dbraw/zinc/17/46/98/792174698.db2.gz MNJDZFAOLAUFFX-ZIAGYGMSSA-N 1 2 332.448 2.125 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@]2(NC(=O)c3cnco3)CCC[C@@H]12 ZINC000992008426 792285219 /nfs/dbraw/zinc/28/52/19/792285219.db2.gz CUCNLVDAACWZSX-TZMCWYRMSA-N 1 2 340.221 2.310 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@]2(NC(=O)c3cnco3)CCC[C@@H]12 ZINC000992008426 792285227 /nfs/dbraw/zinc/28/52/27/792285227.db2.gz CUCNLVDAACWZSX-TZMCWYRMSA-N 1 2 340.221 2.310 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2coc(Br)c2)C1 ZINC001107982784 792429502 /nfs/dbraw/zinc/42/95/02/792429502.db2.gz CQFAPGFFNKZJLX-CQSZACIVSA-N 1 2 343.221 2.049 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2coc(Br)c2)C1 ZINC001107982784 792429511 /nfs/dbraw/zinc/42/95/11/792429511.db2.gz CQFAPGFFNKZJLX-CQSZACIVSA-N 1 2 343.221 2.049 20 30 EEEDLO N#Cc1ccc(NC[C@@H]2CCCC[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)nc1 ZINC001064176916 792607014 /nfs/dbraw/zinc/60/70/14/792607014.db2.gz ICPJUQQPXGZFIO-GJZGRUSLSA-N 1 2 338.415 2.006 20 30 EEEDLO Cc1nc(N2CC[C@H]([C@@H]3CCCCN3C(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001064436431 793092782 /nfs/dbraw/zinc/09/27/82/793092782.db2.gz UZZUVSRTJQHCDZ-ROUUACIJSA-N 1 2 338.455 2.406 20 30 EEEDLO CCc1nnc([C@@H](C)[N@H+](C)C[C@@H]2CCCCN2C(=O)C#CC2CC2)o1 ZINC001089175637 793093800 /nfs/dbraw/zinc/09/38/00/793093800.db2.gz YORIVFHFACPVQD-ZBFHGGJFSA-N 1 2 344.459 2.419 20 30 EEEDLO CCc1nnc([C@@H](C)[N@@H+](C)C[C@@H]2CCCCN2C(=O)C#CC2CC2)o1 ZINC001089175637 793093807 /nfs/dbraw/zinc/09/38/07/793093807.db2.gz YORIVFHFACPVQD-ZBFHGGJFSA-N 1 2 344.459 2.419 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1C ZINC001092017089 793508711 /nfs/dbraw/zinc/50/87/11/793508711.db2.gz PKLSAWUJNGPCAU-CVEARBPZSA-N 1 2 344.459 2.032 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@]2(C)CCOC2)CC1 ZINC001006195522 793687907 /nfs/dbraw/zinc/68/79/07/793687907.db2.gz FDSADZMFELRZTO-OAHLLOKOSA-N 1 2 345.281 2.244 20 30 EEEDLO N#Cc1c(F)cccc1NC1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001092268921 793736646 /nfs/dbraw/zinc/73/66/46/793736646.db2.gz FNXCVRBZCQJFFK-UHFFFAOYSA-N 1 2 341.390 2.360 20 30 EEEDLO N#Cc1c(F)cccc1NC1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001092268921 793736651 /nfs/dbraw/zinc/73/66/51/793736651.db2.gz FNXCVRBZCQJFFK-UHFFFAOYSA-N 1 2 341.390 2.360 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](Nc2ccc(C#N)cn2)C[C@@H]1C ZINC001064788525 793762015 /nfs/dbraw/zinc/76/20/15/793762015.db2.gz OXOBGOUOTXXIIN-WFASDCNBSA-N 1 2 338.415 2.019 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](Nc2ccc(C#N)nc2)C[C@H]1C ZINC001064789277 793764533 /nfs/dbraw/zinc/76/45/33/793764533.db2.gz USTDHTZOHLGYDM-OCCSQVGLSA-N 1 2 338.415 2.019 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3[nH]ccc3c1)c1nccn12 ZINC001092391394 793889093 /nfs/dbraw/zinc/88/90/93/793889093.db2.gz VSMLZVFZHFTOMJ-KRWDZBQOSA-N 1 2 347.422 2.436 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1sccc1OC)c1nccn12 ZINC001092407526 793955789 /nfs/dbraw/zinc/95/57/89/793955789.db2.gz NCFQQOAJXJZWEW-GFCCVEGCSA-N 1 2 344.440 2.025 20 30 EEEDLO C=C(C)[C@H](CC(=O)NC[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C)OCC ZINC001092411365 793961366 /nfs/dbraw/zinc/96/13/66/793961366.db2.gz CDOUPJYQBYCMOH-OIISXLGYSA-N 1 2 346.475 2.345 20 30 EEEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)CCC(C)(C)C)CC2 ZINC001128053957 794096197 /nfs/dbraw/zinc/09/61/97/794096197.db2.gz IPUGDRZXSIQRJY-HNNXBMFYSA-N 1 2 345.491 2.038 20 30 EEEDLO C=C(C)CCC(=O)NC[C@]1(C)CN(c2cc(C)[nH+]c(CC)n2)CCO1 ZINC001092760670 794310970 /nfs/dbraw/zinc/31/09/70/794310970.db2.gz MYGDHMSAWLRGOB-LJQANCHMSA-N 1 2 346.475 2.415 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]21 ZINC001093282343 794951077 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COc1ccc(CC(=O)NCC[N@H+](C)Cc2ccccc2C#N)cc1 ZINC001442583609 1096949482 /nfs/dbraw/zinc/94/94/82/1096949482.db2.gz HKUXFBIVMZVTDS-UHFFFAOYSA-N 1 2 337.423 2.358 20 30 EEEDLO COc1ccc(CC(=O)NCC[N@@H+](C)Cc2ccccc2C#N)cc1 ZINC001442583609 1096949489 /nfs/dbraw/zinc/94/94/89/1096949489.db2.gz HKUXFBIVMZVTDS-UHFFFAOYSA-N 1 2 337.423 2.358 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+](CCNC(=O)[C@H]2CCCOC2)C2CC2)c1 ZINC001442993594 1097412046 /nfs/dbraw/zinc/41/20/46/1097412046.db2.gz JWUSXRSVDUZIRA-HNNXBMFYSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+](CCNC(=O)[C@H]2CCCOC2)C2CC2)c1 ZINC001442993594 1097412052 /nfs/dbraw/zinc/41/20/52/1097412052.db2.gz JWUSXRSVDUZIRA-HNNXBMFYSA-N 1 2 345.418 2.205 20 30 EEEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)c1cc[nH]c(=O)c1 ZINC001444971548 1100094318 /nfs/dbraw/zinc/09/43/18/1100094318.db2.gz UCUHLBPESAVQMB-UHFFFAOYSA-N 1 2 342.374 2.002 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)c1cc[nH]c(=O)c1 ZINC001444971548 1100094327 /nfs/dbraw/zinc/09/43/27/1100094327.db2.gz UCUHLBPESAVQMB-UHFFFAOYSA-N 1 2 342.374 2.002 20 30 EEEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)CCC(F)(F)F)CC1 ZINC001494092963 1103510372 /nfs/dbraw/zinc/51/03/72/1103510372.db2.gz KMETUQWKEQZQPI-UHFFFAOYSA-N 1 2 341.805 2.157 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2c[nH]c3cnccc23)C1 ZINC001448328401 1104402249 /nfs/dbraw/zinc/40/22/49/1104402249.db2.gz SPLPEPOVDJZRKG-LBPRGKRZSA-N 1 2 332.835 2.294 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CCc2cccnc2)s1 ZINC001499015950 1108457678 /nfs/dbraw/zinc/45/76/78/1108457678.db2.gz XOZNWADJSIDTJB-OAHLLOKOSA-N 1 2 340.452 2.338 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CCc2cccnc2)s1 ZINC001499015950 1108457684 /nfs/dbraw/zinc/45/76/84/1108457684.db2.gz XOZNWADJSIDTJB-OAHLLOKOSA-N 1 2 340.452 2.338 20 30 EEEDLO N#Cc1ccc(NC(=O)C[NH2+][C@H](CO)c2cc(F)ccc2F)cc1 ZINC001460956843 1110329763 /nfs/dbraw/zinc/32/97/63/1110329763.db2.gz YAMUWVHSHMJHRG-MRXNPFEDSA-N 1 2 331.322 2.098 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](C(=O)OCC)C1 ZINC001520304772 1119144779 /nfs/dbraw/zinc/14/47/79/1119144779.db2.gz BEXIFAQCFYDBKW-HUUCEWRRSA-N 1 2 347.463 2.010 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](C(=O)OCC)C1 ZINC001520304772 1119144780 /nfs/dbraw/zinc/14/47/80/1119144780.db2.gz BEXIFAQCFYDBKW-HUUCEWRRSA-N 1 2 347.463 2.010 20 30 EEEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001520505662 1119171323 /nfs/dbraw/zinc/17/13/23/1119171323.db2.gz YDGUQXQVNRPUGK-IAGOWNOFSA-N 1 2 340.475 2.403 20 30 EEEDLO C=CC1CCN(C(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC000173431202 539547584 /nfs/dbraw/zinc/54/75/84/539547584.db2.gz XPZWDANUZJAWRC-HNNXBMFYSA-N 1 2 344.463 2.095 20 30 EEEDLO C=CC1CCN(C(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)CC1 ZINC000173431202 539547591 /nfs/dbraw/zinc/54/75/91/539547591.db2.gz XPZWDANUZJAWRC-HNNXBMFYSA-N 1 2 344.463 2.095 20 30 EEEDLO Cc1noc(C(C)(C)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000329102060 539766672 /nfs/dbraw/zinc/76/66/72/539766672.db2.gz FKEOKWUQZNCOIK-UHFFFAOYSA-N 1 2 344.415 2.450 20 30 EEEDLO C[C@H](CNC(=O)NC[C@@H]1CCC2(CCCCC2)O1)[NH+]1CCOCC1 ZINC000330065140 539787539 /nfs/dbraw/zinc/78/75/39/539787539.db2.gz RUCPQHKJFUTIJY-CVEARBPZSA-N 1 2 339.480 2.093 20 30 EEEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000336891079 283182907 /nfs/dbraw/zinc/18/29/07/283182907.db2.gz PDFHYPBWCDCEAO-UYAOXDASSA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000336891079 283182909 /nfs/dbraw/zinc/18/29/09/283182909.db2.gz PDFHYPBWCDCEAO-UYAOXDASSA-N 1 2 338.407 2.371 20 30 EEEDLO CCn1cc[nH+]c1CNC(=O)/C=C\c1ccc(OCC#N)c(OC)c1 ZINC000493623590 246740397 /nfs/dbraw/zinc/74/03/97/246740397.db2.gz ZXFDVWFSUZFDLL-ALCCZGGFSA-N 1 2 340.383 2.144 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000268608996 252064851 /nfs/dbraw/zinc/06/48/51/252064851.db2.gz KJBRAFSVYZPVIX-OAQYLSRUSA-N 1 2 346.434 2.281 20 30 EEEDLO C#CCn1ccc(CN(CCOC)Cc2c[nH+]c3ccc(C)cn23)n1 ZINC000491733729 533219473 /nfs/dbraw/zinc/21/94/73/533219473.db2.gz AUNZEFHPLPFOCN-UHFFFAOYSA-N 1 2 337.427 2.121 20 30 EEEDLO C#C[C@@H](NC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1)C(C)(C)C ZINC000491729458 533248343 /nfs/dbraw/zinc/24/83/43/533248343.db2.gz JXDURQGBPQKBIY-GOSISDBHSA-N 1 2 344.455 2.226 20 30 EEEDLO C#C[C@@H](NC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1)C(C)(C)C ZINC000491729458 533248349 /nfs/dbraw/zinc/24/83/49/533248349.db2.gz JXDURQGBPQKBIY-GOSISDBHSA-N 1 2 344.455 2.226 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1C#N ZINC000063586905 292152853 /nfs/dbraw/zinc/15/28/53/292152853.db2.gz OCAQDHBSNNMYDW-LBPRGKRZSA-N 1 2 348.472 2.231 20 30 EEEDLO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115596389 152032516 /nfs/dbraw/zinc/03/25/16/152032516.db2.gz UBJOLSZODJSZFG-KZULUSFZSA-N 1 2 336.395 2.394 20 30 EEEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000374292743 154036394 /nfs/dbraw/zinc/03/63/94/154036394.db2.gz FJYLUVSRIRIDHB-KRWDZBQOSA-N 1 2 326.400 2.351 20 30 EEEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000374292743 154036396 /nfs/dbraw/zinc/03/63/96/154036396.db2.gz FJYLUVSRIRIDHB-KRWDZBQOSA-N 1 2 326.400 2.351 20 30 EEEDLO Cc1ccc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000343993021 161187586 /nfs/dbraw/zinc/18/75/86/161187586.db2.gz AROJCIZZLOMJAC-UHFFFAOYSA-N 1 2 329.425 2.167 20 30 EEEDLO Cc1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000343993021 161187587 /nfs/dbraw/zinc/18/75/87/161187587.db2.gz AROJCIZZLOMJAC-UHFFFAOYSA-N 1 2 329.425 2.167 20 30 EEEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)C(N)=O)cc1 ZINC000360062474 164225463 /nfs/dbraw/zinc/22/54/63/164225463.db2.gz XAOABEWCRZAXKQ-LJQANCHMSA-N 1 2 349.438 2.260 20 30 EEEDLO CNc1cc(N2CCC[C@H]2CNc2c(C#N)cccc2C#N)nc[nH+]1 ZINC000302415837 270018729 /nfs/dbraw/zinc/01/87/29/270018729.db2.gz HTQYLZFAKHOXAW-HNNXBMFYSA-N 1 2 333.399 2.343 20 30 EEEDLO CNc1cc(N2CCC[C@H]2CNc2c(C#N)cccc2C#N)[nH+]cn1 ZINC000302415837 270018730 /nfs/dbraw/zinc/01/87/30/270018730.db2.gz HTQYLZFAKHOXAW-HNNXBMFYSA-N 1 2 333.399 2.343 20 30 EEEDLO CCOc1cc(C#N)cc(Cl)c1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414144562 270019476 /nfs/dbraw/zinc/01/94/76/270019476.db2.gz ORPSWJIWSPBWKY-ZDUSSCGKSA-N 1 2 337.807 2.196 20 30 EEEDLO CCOc1cc(C#N)cc(Cl)c1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414144562 270019477 /nfs/dbraw/zinc/01/94/77/270019477.db2.gz ORPSWJIWSPBWKY-ZDUSSCGKSA-N 1 2 337.807 2.196 20 30 EEEDLO Cc1cc(N2CCC(C(=O)NCc3cccnc3)CC2)c(C#N)c[nH+]1 ZINC000425214067 270019936 /nfs/dbraw/zinc/01/99/36/270019936.db2.gz IDWZWCMGLUWBQO-UHFFFAOYSA-N 1 2 335.411 2.190 20 30 EEEDLO CCCNC(=O)C[N@H+](CCC)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000297736429 266057750 /nfs/dbraw/zinc/05/77/50/266057750.db2.gz CGICPNXFHFGSLZ-AWEZNQCLSA-N 1 2 330.432 2.123 20 30 EEEDLO CCCNC(=O)C[N@@H+](CCC)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000297736429 266057753 /nfs/dbraw/zinc/05/77/53/266057753.db2.gz CGICPNXFHFGSLZ-AWEZNQCLSA-N 1 2 330.432 2.123 20 30 EEEDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000285665746 266167985 /nfs/dbraw/zinc/16/79/85/266167985.db2.gz QBNCEYXDRUIPSU-INIZCTEOSA-N 1 2 344.415 2.097 20 30 EEEDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000285665746 266167986 /nfs/dbraw/zinc/16/79/86/266167986.db2.gz QBNCEYXDRUIPSU-INIZCTEOSA-N 1 2 344.415 2.097 20 30 EEEDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000295278639 266359294 /nfs/dbraw/zinc/35/92/94/266359294.db2.gz IISSBLCLVLBSQN-GFCCVEGCSA-N 1 2 341.864 2.316 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000522541711 267169935 /nfs/dbraw/zinc/16/99/35/267169935.db2.gz SQHAIHVCRSVURG-UHFFFAOYSA-N 1 2 334.339 2.185 20 30 EEEDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000286820370 267235374 /nfs/dbraw/zinc/23/53/74/267235374.db2.gz IUMUPTGYYYBHRJ-AWEZNQCLSA-N 1 2 345.424 2.046 20 30 EEEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000286820370 267235377 /nfs/dbraw/zinc/23/53/77/267235377.db2.gz IUMUPTGYYYBHRJ-AWEZNQCLSA-N 1 2 345.424 2.046 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)c1 ZINC000279773357 269304063 /nfs/dbraw/zinc/30/40/63/269304063.db2.gz GOMDCQGMYANXSS-UHFFFAOYSA-N 1 2 344.422 2.461 20 30 EEEDLO N#Cc1ccccc1CSCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000292412435 275424102 /nfs/dbraw/zinc/42/41/02/275424102.db2.gz MJVUVTJNCKTXDI-UHFFFAOYSA-N 1 2 341.440 2.213 20 30 EEEDLO Cn1cc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc1C#N ZINC000361494350 279336948 /nfs/dbraw/zinc/33/69/48/279336948.db2.gz YQUMWOKGPLTYEG-FQEVSTJZSA-N 1 2 348.450 2.446 20 30 EEEDLO Cn1cc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc1C#N ZINC000361494350 279336951 /nfs/dbraw/zinc/33/69/51/279336951.db2.gz YQUMWOKGPLTYEG-FQEVSTJZSA-N 1 2 348.450 2.446 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000535072412 317962704 /nfs/dbraw/zinc/96/27/04/317962704.db2.gz ARMKJIDKBBNDTD-UHFFFAOYSA-N 1 2 329.385 2.245 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(Cl)c(C#N)c1 ZINC000561202524 318831250 /nfs/dbraw/zinc/83/12/50/318831250.db2.gz FJEPWMBNDQUSPN-DOMZBBRYSA-N 1 2 333.819 2.147 20 30 EEEDLO Cc1cc(NC[C@H](c2cccs2)[NH+]2CCOCC2)c(C#N)cn1 ZINC000581186987 324202763 /nfs/dbraw/zinc/20/27/63/324202763.db2.gz PXMHVGSBDFDLGG-MRXNPFEDSA-N 1 2 328.441 2.231 20 30 EEEDLO C=CCOc1ccc(C[N@H+](CCOC)CC(=O)N(C)C)cc1Cl ZINC000271109888 464281077 /nfs/dbraw/zinc/28/10/77/464281077.db2.gz ZVQGZFMTGGCRFD-UHFFFAOYSA-N 1 2 340.851 2.441 20 30 EEEDLO C=CCOc1ccc(C[N@@H+](CCOC)CC(=O)N(C)C)cc1Cl ZINC000271109888 464281082 /nfs/dbraw/zinc/28/10/82/464281082.db2.gz ZVQGZFMTGGCRFD-UHFFFAOYSA-N 1 2 340.851 2.441 20 30 EEEDLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1C=CCCCCC1 ZINC000328771994 465124358 /nfs/dbraw/zinc/12/43/58/465124358.db2.gz RKTYXGLVOQSDIQ-HUUCEWRRSA-N 1 2 328.478 2.341 20 30 EEEDLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1C=CCCCCC1 ZINC000328771994 465124362 /nfs/dbraw/zinc/12/43/62/465124362.db2.gz RKTYXGLVOQSDIQ-HUUCEWRRSA-N 1 2 328.478 2.341 20 30 EEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328818483 465137402 /nfs/dbraw/zinc/13/74/02/465137402.db2.gz DNIJBWOQGRKELD-DGCLKSJQSA-N 1 2 346.353 2.359 20 30 EEEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)[C@@H]2C1 ZINC000328829642 465141014 /nfs/dbraw/zinc/14/10/14/465141014.db2.gz KFWVREMXLZVFNP-RBSFLKMASA-N 1 2 348.399 2.272 20 30 EEEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)[C@@H]2C1 ZINC000328829642 465141022 /nfs/dbraw/zinc/14/10/22/465141022.db2.gz KFWVREMXLZVFNP-RBSFLKMASA-N 1 2 348.399 2.272 20 30 EEEDLO O=C(NC1CCN(CC(F)(F)F)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328952553 465179219 /nfs/dbraw/zinc/17/92/19/465179219.db2.gz LZSVKCRNOQUKKI-NSHDSACASA-N 1 2 330.354 2.429 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CC(=O)NC(C)C ZINC000298062955 465290746 /nfs/dbraw/zinc/29/07/46/465290746.db2.gz CEJZECWQSKRODU-AWEZNQCLSA-N 1 2 337.489 2.108 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CC(=O)NC(C)C ZINC000298062955 465290748 /nfs/dbraw/zinc/29/07/48/465290748.db2.gz CEJZECWQSKRODU-AWEZNQCLSA-N 1 2 337.489 2.108 20 30 EEEDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329301723 465292907 /nfs/dbraw/zinc/29/29/07/465292907.db2.gz VXSNTFNOKOKTGU-HUUCEWRRSA-N 1 2 343.431 2.147 20 30 EEEDLO C=CC[C@@H](CO)CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000342204760 465300642 /nfs/dbraw/zinc/30/06/42/465300642.db2.gz HNDSVGZFJNOZBD-CQSZACIVSA-N 1 2 333.457 2.177 20 30 EEEDLO C#C[C@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)C(C)C ZINC000490963641 468277062 /nfs/dbraw/zinc/27/70/62/468277062.db2.gz WUHGADZJIODAAZ-UXLLHSPISA-N 1 2 344.459 2.152 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153273890 462632621 /nfs/dbraw/zinc/63/26/21/462632621.db2.gz RQNABZUEGKTVHY-UHFFFAOYSA-N 1 2 330.388 2.321 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153273890 462632625 /nfs/dbraw/zinc/63/26/25/462632625.db2.gz RQNABZUEGKTVHY-UHFFFAOYSA-N 1 2 330.388 2.321 20 30 EEEDLO C[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000153599642 462668482 /nfs/dbraw/zinc/66/84/82/462668482.db2.gz MQZDQCZWRDBMPJ-AWEZNQCLSA-N 1 2 328.441 2.440 20 30 EEEDLO Cc1cc(N)nc(SCC(=O)N(CCC#N)c2ccccc2)[nH+]1 ZINC000007047911 462718663 /nfs/dbraw/zinc/71/86/63/462718663.db2.gz ACGMYNYSNCKCTH-UHFFFAOYSA-N 1 2 327.413 2.406 20 30 EEEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000064796307 462721171 /nfs/dbraw/zinc/72/11/71/462721171.db2.gz WCAWSUZOKUQINS-YPMHNXCESA-N 1 2 327.222 2.280 20 30 EEEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000064796307 462721175 /nfs/dbraw/zinc/72/11/75/462721175.db2.gz WCAWSUZOKUQINS-YPMHNXCESA-N 1 2 327.222 2.280 20 30 EEEDLO CNC(=O)CCC[N@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091075079 462829077 /nfs/dbraw/zinc/82/90/77/462829077.db2.gz VAIYOXQYEDZGMQ-UHFFFAOYSA-N 1 2 325.416 2.010 20 30 EEEDLO CNC(=O)CCC[N@@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091075079 462829083 /nfs/dbraw/zinc/82/90/83/462829083.db2.gz VAIYOXQYEDZGMQ-UHFFFAOYSA-N 1 2 325.416 2.010 20 30 EEEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000119631807 462919008 /nfs/dbraw/zinc/91/90/08/462919008.db2.gz ISKCCCSLAHWWDF-UHFFFAOYSA-N 1 2 332.448 2.068 20 30 EEEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000119631807 462919015 /nfs/dbraw/zinc/91/90/15/462919015.db2.gz ISKCCCSLAHWWDF-UHFFFAOYSA-N 1 2 332.448 2.068 20 30 EEEDLO C[C@H]1C[C@@]1(C#N)C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000590758634 468330190 /nfs/dbraw/zinc/33/01/90/468330190.db2.gz VGWNDXCFQRZANR-XPYUAMARSA-N 1 2 327.428 2.066 20 30 EEEDLO C[C@H]1C[C@@]1(C#N)C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000590758634 468330197 /nfs/dbraw/zinc/33/01/97/468330197.db2.gz VGWNDXCFQRZANR-XPYUAMARSA-N 1 2 327.428 2.066 20 30 EEEDLO CC(C)(C#N)c1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000135100558 463119015 /nfs/dbraw/zinc/11/90/15/463119015.db2.gz KFTSTHOEGYZTMX-SFHVURJKSA-N 1 2 341.455 2.311 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)CCC(=O)c2ccc(F)cc2F)CC1 ZINC000068444420 463137965 /nfs/dbraw/zinc/13/79/65/463137965.db2.gz WYKGCEXVNOZIIF-UHFFFAOYSA-N 1 2 334.366 2.095 20 30 EEEDLO CCCCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078691700 463141225 /nfs/dbraw/zinc/14/12/25/463141225.db2.gz KAMHAUDQZKETJI-AEFFLSMTSA-N 1 2 328.460 2.174 20 30 EEEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2sccc2C#N)cc1 ZINC000026208417 463154392 /nfs/dbraw/zinc/15/43/92/463154392.db2.gz LLOKQPARAIZUPR-UHFFFAOYSA-N 1 2 343.408 2.477 20 30 EEEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2sccc2C#N)cc1 ZINC000026208417 463154398 /nfs/dbraw/zinc/15/43/98/463154398.db2.gz LLOKQPARAIZUPR-UHFFFAOYSA-N 1 2 343.408 2.477 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)cc1 ZINC000030020700 463286390 /nfs/dbraw/zinc/28/63/90/463286390.db2.gz DYUBPLBXJSUPCD-FQEVSTJZSA-N 1 2 347.418 2.206 20 30 EEEDLO COc1ccc(-c2noc(CN3CC[NH+](CCCC#N)CC3)n2)cc1 ZINC000055121372 463286888 /nfs/dbraw/zinc/28/68/88/463286888.db2.gz SQYIZOHRGHIVFP-UHFFFAOYSA-N 1 2 341.415 2.167 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)cn1 ZINC000097114317 463329925 /nfs/dbraw/zinc/32/99/25/463329925.db2.gz DRERNJBXWUHTRX-UHFFFAOYSA-N 1 2 342.302 2.106 20 30 EEEDLO Cc1[nH+]ccn1-c1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cn1 ZINC000069817358 463332684 /nfs/dbraw/zinc/33/26/84/463332684.db2.gz LIQQQHIGDRGCGI-UHFFFAOYSA-N 1 2 339.380 2.248 20 30 EEEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000031909988 463357364 /nfs/dbraw/zinc/35/73/64/463357364.db2.gz KOGKJOYPPUOMDZ-AWEZNQCLSA-N 1 2 347.378 2.223 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000105311455 463450365 /nfs/dbraw/zinc/45/03/65/463450365.db2.gz OTZOXCMWKGOTOZ-INIZCTEOSA-N 1 2 349.438 2.098 20 30 EEEDLO COCC[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(C)o1 ZINC000125471383 463547072 /nfs/dbraw/zinc/54/70/72/463547072.db2.gz FVDFRGONZFXZHN-UHFFFAOYSA-N 1 2 333.432 2.379 20 30 EEEDLO COCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(C)o1 ZINC000125471383 463547075 /nfs/dbraw/zinc/54/70/75/463547075.db2.gz FVDFRGONZFXZHN-UHFFFAOYSA-N 1 2 333.432 2.379 20 30 EEEDLO C=CCN1CC[C@H](N(C)c2[nH+]cnc3c2cnn3-c2ccccc2)C1=O ZINC000540985251 468374548 /nfs/dbraw/zinc/37/45/48/468374548.db2.gz RTWMIODPWIZLSV-INIZCTEOSA-N 1 2 348.410 2.039 20 30 EEEDLO C=CCN(CCc1ccccc1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000277424148 463915502 /nfs/dbraw/zinc/91/55/02/463915502.db2.gz LKZVTERQGLWCAT-UHFFFAOYSA-N 1 2 343.471 2.292 20 30 EEEDLO N#Cc1ccc(N2CCN(C(=O)CCn3cc[nH+]c3)CC2)c(Cl)c1 ZINC000277694264 463924222 /nfs/dbraw/zinc/92/42/22/463924222.db2.gz LXRWSSOQUWBOGW-UHFFFAOYSA-N 1 2 343.818 2.147 20 30 EEEDLO Cc1nc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)ccc1C#N ZINC000278036051 463941811 /nfs/dbraw/zinc/94/18/11/463941811.db2.gz KUYRTPRXAQXFLR-DZGCQCFKSA-N 1 2 325.372 2.238 20 30 EEEDLO Cc1nc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)ccc1C#N ZINC000278036051 463941821 /nfs/dbraw/zinc/94/18/21/463941821.db2.gz KUYRTPRXAQXFLR-DZGCQCFKSA-N 1 2 325.372 2.238 20 30 EEEDLO CCC[C@H](C#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000523284099 468386578 /nfs/dbraw/zinc/38/65/78/468386578.db2.gz SHZIIYOFMJURGW-MRXNPFEDSA-N 1 2 339.399 2.334 20 30 EEEDLO C=CCN(C)C(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278764706 463983146 /nfs/dbraw/zinc/98/31/46/463983146.db2.gz VRPADBWGXDZHDK-UHFFFAOYSA-N 1 2 338.411 2.469 20 30 EEEDLO CCc1cc(N)nc(SCC(=O)Nc2ccc(CC#N)cc2)[nH+]1 ZINC000279059118 464031770 /nfs/dbraw/zinc/03/17/70/464031770.db2.gz IKDPKYCJNJNZSH-UHFFFAOYSA-N 1 2 327.413 2.418 20 30 EEEDLO COc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269864451 464115566 /nfs/dbraw/zinc/11/55/66/464115566.db2.gz PFIZZQGMOBEYNP-CQSZACIVSA-N 1 2 337.383 2.362 20 30 EEEDLO CN(CC(C)(C)C[NH+]1CCOCC1)c1snc(Cl)c1C#N ZINC000269891020 464123210 /nfs/dbraw/zinc/12/32/10/464123210.db2.gz QYTDPROYOLBFGE-UHFFFAOYSA-N 1 2 328.869 2.463 20 30 EEEDLO Cn1cc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000180014771 464224172 /nfs/dbraw/zinc/22/41/72/464224172.db2.gz AGYBROPDQDEMOA-MSOLQXFVSA-N 1 2 349.438 2.202 20 30 EEEDLO Cn1cc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000180014771 464224181 /nfs/dbraw/zinc/22/41/81/464224181.db2.gz AGYBROPDQDEMOA-MSOLQXFVSA-N 1 2 349.438 2.202 20 30 EEEDLO C#CCC(C)(C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280838008 464260585 /nfs/dbraw/zinc/26/05/85/464260585.db2.gz XWBCQFONAPOOEJ-MSOLQXFVSA-N 1 2 326.440 2.148 20 30 EEEDLO C#CCC(C)(C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280838008 464260587 /nfs/dbraw/zinc/26/05/87/464260587.db2.gz XWBCQFONAPOOEJ-MSOLQXFVSA-N 1 2 326.440 2.148 20 30 EEEDLO C=CCN1CC[C@H]([NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)C1=O ZINC000281193139 464365688 /nfs/dbraw/zinc/36/56/88/464365688.db2.gz MTEQVUXUVHLCSV-FZMZJTMJSA-N 1 2 330.363 2.313 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)N(C)Cc2ccccc2C)C1=O ZINC000281212973 464373920 /nfs/dbraw/zinc/37/39/20/464373920.db2.gz DHNKYCBTAKOUNH-FUHWJXTLSA-N 1 2 343.471 2.061 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)N(C)Cc2ccccc2C)C1=O ZINC000281212973 464373925 /nfs/dbraw/zinc/37/39/25/464373925.db2.gz DHNKYCBTAKOUNH-FUHWJXTLSA-N 1 2 343.471 2.061 20 30 EEEDLO COc1cccc(C(N)=[NH+]OCC(=O)N(C2CC2)C2CCCC2)c1 ZINC000174213894 464378724 /nfs/dbraw/zinc/37/87/24/464378724.db2.gz HJLUZMIZBDEPNP-UHFFFAOYSA-N 1 2 331.416 2.266 20 30 EEEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000174223932 464379526 /nfs/dbraw/zinc/37/95/26/464379526.db2.gz ZAJXOJNPETWABK-CHWSQXEVSA-N 1 2 332.404 2.235 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C(=O)N(CC)CC)c2ccccc2)C1=O ZINC000281235094 464381388 /nfs/dbraw/zinc/38/13/88/464381388.db2.gz FRCHAFVUAPWWJL-ZWKOTPCHSA-N 1 2 343.471 2.315 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C(=O)N(CC)CC)c2ccccc2)C1=O ZINC000281235094 464381394 /nfs/dbraw/zinc/38/13/94/464381394.db2.gz FRCHAFVUAPWWJL-ZWKOTPCHSA-N 1 2 343.471 2.315 20 30 EEEDLO N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000294115490 464433655 /nfs/dbraw/zinc/43/36/55/464433655.db2.gz DFSRJDWACVLQQS-UHFFFAOYSA-N 1 2 348.403 2.061 20 30 EEEDLO C=C(C)CN(CC)C(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000285482759 464581850 /nfs/dbraw/zinc/58/18/50/464581850.db2.gz DDPLMALRIBRVME-UHFFFAOYSA-N 1 2 344.459 2.113 20 30 EEEDLO CC(C)(C#N)CCON=C(N)C[NH+]1CCN(c2ccccc2)CC1 ZINC000282020977 464670639 /nfs/dbraw/zinc/67/06/39/464670639.db2.gz VYENXXQDHYEPMX-UHFFFAOYSA-N 1 2 329.448 2.037 20 30 EEEDLO COc1ccccc1CCC[N@H+](CCC#N)CCN1CCOCC1 ZINC000182529757 464676320 /nfs/dbraw/zinc/67/63/20/464676320.db2.gz KQZWLKOIWBLJDZ-UHFFFAOYSA-N 1 2 331.460 2.176 20 30 EEEDLO COc1ccccc1CCC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000182529757 464676327 /nfs/dbraw/zinc/67/63/27/464676327.db2.gz KQZWLKOIWBLJDZ-UHFFFAOYSA-N 1 2 331.460 2.176 20 30 EEEDLO COc1ccccc1CCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000182529757 464676333 /nfs/dbraw/zinc/67/63/33/464676333.db2.gz KQZWLKOIWBLJDZ-UHFFFAOYSA-N 1 2 331.460 2.176 20 30 EEEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3ccc(C#N)cc3)CC2)S1 ZINC000265772038 464680792 /nfs/dbraw/zinc/68/07/92/464680792.db2.gz OUSBXZSGJCCSNH-UHFFFAOYSA-N 1 2 328.441 2.197 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554540786 468416255 /nfs/dbraw/zinc/41/62/55/468416255.db2.gz NDVDLYQDJZAVHZ-NVXWUHKLSA-N 1 2 341.415 2.429 20 30 EEEDLO N#CCSc1cccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000176070534 464691998 /nfs/dbraw/zinc/69/19/98/464691998.db2.gz NBYZFBLBGINZKM-INIZCTEOSA-N 1 2 345.468 2.239 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NC[C@H](C)C#N ZINC000182765093 464724355 /nfs/dbraw/zinc/72/43/55/464724355.db2.gz FTOMINAAYPJONO-IAGOWNOFSA-N 1 2 344.459 2.079 20 30 EEEDLO C#CC[N@@H+](Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)C1CC1 ZINC000274029188 464731763 /nfs/dbraw/zinc/73/17/63/464731763.db2.gz DBKKSDCQRDUTPJ-UHFFFAOYSA-N 1 2 343.383 2.360 20 30 EEEDLO C#CC[N@H+](Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)C1CC1 ZINC000274029188 464731771 /nfs/dbraw/zinc/73/17/71/464731771.db2.gz DBKKSDCQRDUTPJ-UHFFFAOYSA-N 1 2 343.383 2.360 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2nncn2C)cc1C ZINC000275156012 464765765 /nfs/dbraw/zinc/76/57/65/464765765.db2.gz HTVILBMGFWBCIO-OAHLLOKOSA-N 1 2 340.431 2.029 20 30 EEEDLO COc1ccc(-c2cncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2)cc1 ZINC000579844541 468423456 /nfs/dbraw/zinc/42/34/56/468423456.db2.gz FDAIXFDWOWYLAM-IBGZPJMESA-N 1 2 338.411 2.331 20 30 EEEDLO C=CC[N@@H+](C[C@@H](O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000266710312 464795926 /nfs/dbraw/zinc/79/59/26/464795926.db2.gz DNCPMKHVMIXNFW-LSDHHAIUSA-N 1 2 329.849 2.049 20 30 EEEDLO C=CC[N@H+](C[C@@H](O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000266710312 464795932 /nfs/dbraw/zinc/79/59/32/464795932.db2.gz DNCPMKHVMIXNFW-LSDHHAIUSA-N 1 2 329.849 2.049 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)/C=C/c2ccc(C#N)cc2)CCO1 ZINC000276159261 464829093 /nfs/dbraw/zinc/82/90/93/464829093.db2.gz FWYATTWYFBTJHJ-WXYTYNPNSA-N 1 2 336.395 2.341 20 30 EEEDLO CC[C@@H](CC#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000183796024 464911553 /nfs/dbraw/zinc/91/15/53/464911553.db2.gz KCCMFAOVGZQSBE-HOCLYGCPSA-N 1 2 332.423 2.145 20 30 EEEDLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+](CC)C[C@H](C)C#N ZINC000250640621 464930675 /nfs/dbraw/zinc/93/06/75/464930675.db2.gz TTZNJQDGGZCGIG-CVEARBPZSA-N 1 2 345.443 2.156 20 30 EEEDLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+](CC)C[C@H](C)C#N ZINC000250640621 464930680 /nfs/dbraw/zinc/93/06/80/464930680.db2.gz TTZNJQDGGZCGIG-CVEARBPZSA-N 1 2 345.443 2.156 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000177415734 465009327 /nfs/dbraw/zinc/00/93/27/465009327.db2.gz QXHBIDBDUQGRBL-QGZVFWFLSA-N 1 2 337.851 2.055 20 30 EEEDLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329421616 465329193 /nfs/dbraw/zinc/32/91/93/465329193.db2.gz HQLQHEDYKLESCY-HRCADAONSA-N 1 2 347.459 2.118 20 30 EEEDLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329421616 465329199 /nfs/dbraw/zinc/32/91/99/465329199.db2.gz HQLQHEDYKLESCY-HRCADAONSA-N 1 2 347.459 2.118 20 30 EEEDLO CCOC1(C)CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000298239714 465341487 /nfs/dbraw/zinc/34/14/87/465341487.db2.gz IVODUGLBLVBOJI-UHFFFAOYSA-N 1 2 336.457 2.223 20 30 EEEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)c1 ZINC000329571675 465375214 /nfs/dbraw/zinc/37/52/14/465375214.db2.gz QULAWESUAUHYOX-BPUTZDHNSA-N 1 2 326.400 2.335 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000342912476 465383358 /nfs/dbraw/zinc/38/33/58/465383358.db2.gz PSKUTJOMTAIOTN-OAHLLOKOSA-N 1 2 340.427 2.350 20 30 EEEDLO C=C[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000359219537 465387770 /nfs/dbraw/zinc/38/77/70/465387770.db2.gz FRRFJFVUEBSIDA-BYCMXARLSA-N 1 2 341.814 2.070 20 30 EEEDLO C=C[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000359219537 465387774 /nfs/dbraw/zinc/38/77/74/465387774.db2.gz FRRFJFVUEBSIDA-BYCMXARLSA-N 1 2 341.814 2.070 20 30 EEEDLO C[C@@H](NC(=O)NCc1nccn1CC(F)(F)F)C1=CC[N@H+](C)CC1 ZINC000329711360 465412444 /nfs/dbraw/zinc/41/24/44/465412444.db2.gz OMHSOLKQFPXANX-LLVKDONJSA-N 1 2 345.369 2.099 20 30 EEEDLO C[C@@H](NC(=O)NCc1nccn1CC(F)(F)F)C1=CC[N@@H+](C)CC1 ZINC000329711360 465412447 /nfs/dbraw/zinc/41/24/47/465412447.db2.gz OMHSOLKQFPXANX-LLVKDONJSA-N 1 2 345.369 2.099 20 30 EEEDLO Cc1noc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n1 ZINC000348097412 465419791 /nfs/dbraw/zinc/41/97/91/465419791.db2.gz VIDHDSINIGSBQX-HASVCBABSA-N 1 2 333.436 2.348 20 30 EEEDLO CC(C)c1[nH+]c2c(n1C)CCN(C([O-])=[NH+][C@@H]1CCc3c[nH]nc3C1)C2 ZINC000329860105 465454703 /nfs/dbraw/zinc/45/47/03/465454703.db2.gz PFNFXRZAVZKJON-CYBMUJFWSA-N 1 2 342.447 2.096 20 30 EEEDLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1CCC(=O)CC1 ZINC000329901624 465468918 /nfs/dbraw/zinc/46/89/18/465468918.db2.gz OSEMDKOPXQITTK-OAHLLOKOSA-N 1 2 344.459 2.308 20 30 EEEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)N[C@@H]1CCOc3ccccc31)CCO2 ZINC000329924790 465475779 /nfs/dbraw/zinc/47/57/79/465475779.db2.gz HVTXUORSMDLVFT-GMBSWORKSA-N 1 2 346.427 2.347 20 30 EEEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)N[C@@H]1CCOc3ccccc31)CCO2 ZINC000329924790 465475784 /nfs/dbraw/zinc/47/57/84/465475784.db2.gz HVTXUORSMDLVFT-GMBSWORKSA-N 1 2 346.427 2.347 20 30 EEEDLO CCN1CCN(C(=O)NCC[C@@H]2CCO[C@H](C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329939290 465480604 /nfs/dbraw/zinc/48/06/04/465480604.db2.gz AYABAYATQGWHLB-OAGGEKHMSA-N 1 2 349.479 2.208 20 30 EEEDLO COc1cccc(NC(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c1 ZINC000330067894 465523713 /nfs/dbraw/zinc/52/37/13/465523713.db2.gz UXEZKGLNCQSICI-XJKSGUPXSA-N 1 2 330.388 2.484 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)CC1 ZINC000299166556 465633643 /nfs/dbraw/zinc/63/36/43/465633643.db2.gz UYUIZGBVPZSMGI-UHFFFAOYSA-N 1 2 343.818 2.409 20 30 EEEDLO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)no1 ZINC000330499372 465683525 /nfs/dbraw/zinc/68/35/25/465683525.db2.gz HXNRCQLUPWFQGF-ZIAGYGMSSA-N 1 2 333.436 2.133 20 30 EEEDLO CC(C)c1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2)no1 ZINC000330499372 465683534 /nfs/dbraw/zinc/68/35/34/465683534.db2.gz HXNRCQLUPWFQGF-ZIAGYGMSSA-N 1 2 333.436 2.133 20 30 EEEDLO Cn1ncc2c1nc[nH+]c2NC1CCC(Oc2ncccc2C#N)CC1 ZINC000337946929 465699888 /nfs/dbraw/zinc/69/98/88/465699888.db2.gz WRDYVLMTOODFMO-UHFFFAOYSA-N 1 2 349.398 2.432 20 30 EEEDLO CC(C)OCc1cccc(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)c1 ZINC000330726149 465779808 /nfs/dbraw/zinc/77/98/08/465779808.db2.gz FERSSXAWHYYCEJ-QGZVFWFLSA-N 1 2 334.464 2.183 20 30 EEEDLO CC(C)OCc1cccc(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)c1 ZINC000330726149 465779819 /nfs/dbraw/zinc/77/98/19/465779819.db2.gz FERSSXAWHYYCEJ-QGZVFWFLSA-N 1 2 334.464 2.183 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000345392959 465862934 /nfs/dbraw/zinc/86/29/34/465862934.db2.gz AEVYQOCFUBBSPE-IEBWSBKVSA-N 1 2 346.471 2.466 20 30 EEEDLO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N)c1ccc2c(c1)OCCO2 ZINC000353463346 465902929 /nfs/dbraw/zinc/90/29/29/465902929.db2.gz QHOZXQHXCQNGQW-MGPQQGTHSA-N 1 2 331.416 2.115 20 30 EEEDLO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N)c1ccc2c(c1)OCCO2 ZINC000353463346 465902936 /nfs/dbraw/zinc/90/29/36/465902936.db2.gz QHOZXQHXCQNGQW-MGPQQGTHSA-N 1 2 331.416 2.115 20 30 EEEDLO CC[C@H](C)[C@@H](OC)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000353556540 465976264 /nfs/dbraw/zinc/97/62/64/465976264.db2.gz CZCMTCNFPRFOBM-MAUKXSAKSA-N 1 2 329.444 2.264 20 30 EEEDLO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000331800315 466250254 /nfs/dbraw/zinc/25/02/54/466250254.db2.gz SCJIHSJWQUPQST-QWHCGFSZSA-N 1 2 326.400 2.032 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000358066013 466426598 /nfs/dbraw/zinc/42/65/98/466426598.db2.gz SUKJOECWSLLMDJ-UHFFFAOYSA-N 1 2 329.444 2.354 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000358066013 466426603 /nfs/dbraw/zinc/42/66/03/466426603.db2.gz SUKJOECWSLLMDJ-UHFFFAOYSA-N 1 2 329.444 2.354 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000340948897 466459797 /nfs/dbraw/zinc/45/97/97/466459797.db2.gz GBIPICSRNBWORJ-MCIONIFRSA-N 1 2 333.457 2.474 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000340948897 466459806 /nfs/dbraw/zinc/45/98/06/466459806.db2.gz GBIPICSRNBWORJ-MCIONIFRSA-N 1 2 333.457 2.474 20 30 EEEDLO C[N@H+](CC(=O)NCC#N)Cc1ccc(Br)cc1Cl ZINC000361995949 466469543 /nfs/dbraw/zinc/46/95/43/466469543.db2.gz KXKACMDVQDLFAQ-UHFFFAOYSA-N 1 2 330.613 2.174 20 30 EEEDLO C[N@@H+](CC(=O)NCC#N)Cc1ccc(Br)cc1Cl ZINC000361995949 466469546 /nfs/dbraw/zinc/46/95/46/466469546.db2.gz KXKACMDVQDLFAQ-UHFFFAOYSA-N 1 2 330.613 2.174 20 30 EEEDLO COc1ccccc1[C@@H](NC(=O)c1c[nH]c(C#N)c1)c1[nH+]ccn1C ZINC000367706004 466505032 /nfs/dbraw/zinc/50/50/32/466505032.db2.gz QCCQRHJJCKRTHO-MRXNPFEDSA-N 1 2 335.367 2.148 20 30 EEEDLO Cc1nnc([C@@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[nH]1 ZINC000332500424 466542113 /nfs/dbraw/zinc/54/21/13/466542113.db2.gz YOXGCBGYFXPYSY-GFCCVEGCSA-N 1 2 338.415 2.397 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000347332800 466572828 /nfs/dbraw/zinc/57/28/28/466572828.db2.gz YNEYAUMQXFYQKU-INIZCTEOSA-N 1 2 328.416 2.305 20 30 EEEDLO O=C(c1ccccn1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000372766532 466580158 /nfs/dbraw/zinc/58/01/58/466580158.db2.gz MKRWESHNJNSYIM-UHFFFAOYSA-N 1 2 337.398 2.420 20 30 EEEDLO O=C(c1ccccn1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000372766532 466580164 /nfs/dbraw/zinc/58/01/64/466580164.db2.gz MKRWESHNJNSYIM-UHFFFAOYSA-N 1 2 337.398 2.420 20 30 EEEDLO COCC(C)(C)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000411123292 466770553 /nfs/dbraw/zinc/77/05/53/466770553.db2.gz DAKGMNYQYRPKJY-UHFFFAOYSA-N 1 2 329.444 2.265 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000373889037 466956672 /nfs/dbraw/zinc/95/66/72/466956672.db2.gz ANAIWXXPIFAMDT-RDJZCZTQSA-N 1 2 341.415 2.048 20 30 EEEDLO COC(=O)c1ccc(N2CCN(c3cc(C)[nH+]cc3C#N)CC2)s1 ZINC000425270645 467091134 /nfs/dbraw/zinc/09/11/34/467091134.db2.gz TXTQOFLWKYFKRU-UHFFFAOYSA-N 1 2 342.424 2.436 20 30 EEEDLO Cc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c(C#N)cc1[N+](=O)[O-] ZINC000413282715 467205651 /nfs/dbraw/zinc/20/56/51/467205651.db2.gz QHDBUFNYUCPKNR-HIFRSBDPSA-N 1 2 330.388 2.074 20 30 EEEDLO CCCc1nc(C)c(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)o1 ZINC000428223018 467213661 /nfs/dbraw/zinc/21/36/61/467213661.db2.gz OJZNJJFNGKLHFF-CYBMUJFWSA-N 1 2 340.431 2.308 20 30 EEEDLO CCCc1nc(C)c(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)o1 ZINC000428223018 467213663 /nfs/dbraw/zinc/21/36/63/467213663.db2.gz OJZNJJFNGKLHFF-CYBMUJFWSA-N 1 2 340.431 2.308 20 30 EEEDLO CC1(C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1 ZINC000432922113 467276323 /nfs/dbraw/zinc/27/63/23/467276323.db2.gz JWENZYSUSVWWEQ-UHFFFAOYSA-N 1 2 333.457 2.055 20 30 EEEDLO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+](C)CC(C)(C)C#N ZINC000433299705 467315337 /nfs/dbraw/zinc/31/53/37/467315337.db2.gz CMAFKKYWDMNCGQ-MRXNPFEDSA-N 1 2 328.460 2.205 20 30 EEEDLO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+](C)CC(C)(C)C#N ZINC000433299705 467315341 /nfs/dbraw/zinc/31/53/41/467315341.db2.gz CMAFKKYWDMNCGQ-MRXNPFEDSA-N 1 2 328.460 2.205 20 30 EEEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000407990273 467490819 /nfs/dbraw/zinc/49/08/19/467490819.db2.gz MVYQARPPQHXCRA-RYUDHWBXSA-N 1 2 334.401 2.106 20 30 EEEDLO C=CC[C@@H](C)NC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000441165650 467571790 /nfs/dbraw/zinc/57/17/90/467571790.db2.gz GJSQZCFJTWMTNI-DYVFJYSZSA-N 1 2 325.453 2.056 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000448638928 467597826 /nfs/dbraw/zinc/59/78/26/467597826.db2.gz NMHBPZYSEDYDKG-SJORKVTESA-N 1 2 325.412 2.181 20 30 EEEDLO CC[C@@H](CC(F)(F)F)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000448835852 467603442 /nfs/dbraw/zinc/60/34/42/467603442.db2.gz MRKCIXGOPMJMAX-ZDUSSCGKSA-N 1 2 335.370 2.039 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1 ZINC000449042383 467615188 /nfs/dbraw/zinc/61/51/88/467615188.db2.gz RXOVXSZMUVWSSA-UHFFFAOYSA-N 1 2 349.438 2.049 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000527299105 467658382 /nfs/dbraw/zinc/65/83/82/467658382.db2.gz STVKHFCAVCAMKT-SJLPKXTDSA-N 1 2 341.455 2.271 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000527299105 467658385 /nfs/dbraw/zinc/65/83/85/467658385.db2.gz STVKHFCAVCAMKT-SJLPKXTDSA-N 1 2 341.455 2.271 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000455397860 467674592 /nfs/dbraw/zinc/67/45/92/467674592.db2.gz CYCHWAWCXUXNNQ-SJORKVTESA-N 1 2 332.448 2.428 20 30 EEEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000492751359 467738817 /nfs/dbraw/zinc/73/88/17/467738817.db2.gz LAZDUXNIPGPCAG-QWUACUGRSA-N 1 2 339.439 2.141 20 30 EEEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000492751359 467738821 /nfs/dbraw/zinc/73/88/21/467738821.db2.gz LAZDUXNIPGPCAG-QWUACUGRSA-N 1 2 339.439 2.141 20 30 EEEDLO C=CCCOCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450249751 467809239 /nfs/dbraw/zinc/80/92/39/467809239.db2.gz CDMAIAUOJUJSSC-UHFFFAOYSA-N 1 2 330.344 2.103 20 30 EEEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1-c1ccc(Cl)cc1 ZINC000514865937 467959969 /nfs/dbraw/zinc/95/99/69/467959969.db2.gz OWRRMPWIRJVPTE-QGZVFWFLSA-N 1 2 345.834 2.408 20 30 EEEDLO CC(C)(C)OC(=O)N1CCC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)CC1 ZINC000493851311 467996748 /nfs/dbraw/zinc/99/67/48/467996748.db2.gz HQXVNRXYXFTZLL-KBPBESRZSA-N 1 2 335.452 2.233 20 30 EEEDLO N#CCOc1ccc(/C=C\C(=O)Nc2c[nH+]ccc2-n2ccnn2)cc1 ZINC000493862801 467999466 /nfs/dbraw/zinc/99/94/66/467999466.db2.gz YZHCOPMCGZAYLE-UTCJRWHESA-N 1 2 346.350 2.217 20 30 EEEDLO Cc1csc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1C#N ZINC000515667577 468001160 /nfs/dbraw/zinc/00/11/60/468001160.db2.gz NPKNIMKDVVNQKO-CHWSQXEVSA-N 1 2 334.445 2.255 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC1(C#N)CC1 ZINC000495740248 468101499 /nfs/dbraw/zinc/10/14/99/468101499.db2.gz ZDGRREXYQWAKFD-AWEZNQCLSA-N 1 2 345.447 2.318 20 30 EEEDLO C[C@H](O)[C@@H]1CCN(c2cc(N3CCC(CCC#N)CC3)[nH+]cn2)C1 ZINC000576034089 468158911 /nfs/dbraw/zinc/15/89/11/468158911.db2.gz LMLZHMBRNAVMOE-GOEBONIOSA-N 1 2 329.448 2.204 20 30 EEEDLO C[C@H](O)[C@@H]1CCN(c2cc(N3CCC(CCC#N)CC3)nc[nH+]2)C1 ZINC000576034089 468158913 /nfs/dbraw/zinc/15/89/13/468158913.db2.gz LMLZHMBRNAVMOE-GOEBONIOSA-N 1 2 329.448 2.204 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(S(=O)(=O)C(C)C)cc1 ZINC000490893592 468262600 /nfs/dbraw/zinc/26/26/00/468262600.db2.gz VRKPMVWQSLBIBY-MRXNPFEDSA-N 1 2 349.452 2.123 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(S(=O)(=O)C(C)C)cc1 ZINC000490893592 468262607 /nfs/dbraw/zinc/26/26/07/468262607.db2.gz VRKPMVWQSLBIBY-MRXNPFEDSA-N 1 2 349.452 2.123 20 30 EEEDLO COc1cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc1Br ZINC000591774167 468519755 /nfs/dbraw/zinc/51/97/55/468519755.db2.gz BEWCBGOXHHMMFE-LBPRGKRZSA-N 1 2 342.237 2.076 20 30 EEEDLO COc1cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc1Br ZINC000591774167 468519758 /nfs/dbraw/zinc/51/97/58/468519758.db2.gz BEWCBGOXHHMMFE-LBPRGKRZSA-N 1 2 342.237 2.076 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000556343990 468523085 /nfs/dbraw/zinc/52/30/85/468523085.db2.gz LJMQRKUGXOFTOE-OLZOCXBDSA-N 1 2 348.403 2.363 20 30 EEEDLO N#Cc1cccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)n1 ZINC000597639870 468623587 /nfs/dbraw/zinc/62/35/87/468623587.db2.gz GLPKUBAORFAONX-UHFFFAOYSA-N 1 2 341.440 2.188 20 30 EEEDLO N#CCCCCCC(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000597677625 468635533 /nfs/dbraw/zinc/63/55/33/468635533.db2.gz GRTSJRHXLQQDNU-MRXNPFEDSA-N 1 2 339.505 2.127 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592146432 468636382 /nfs/dbraw/zinc/63/63/82/468636382.db2.gz HQPDZPPFGNUEHQ-XHDPSFHLSA-N 1 2 341.333 2.383 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592146432 468636386 /nfs/dbraw/zinc/63/63/86/468636386.db2.gz HQPDZPPFGNUEHQ-XHDPSFHLSA-N 1 2 341.333 2.383 20 30 EEEDLO C[C@H]1CCN(S(=O)(=O)c2ccccc2CC#N)C[C@H]1n1cc[nH+]c1 ZINC000601370461 468845945 /nfs/dbraw/zinc/84/59/45/468845945.db2.gz SFQWQNAGUZHYJC-GOEBONIOSA-N 1 2 344.440 2.221 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1noc(C2CC2)n1 ZINC000584775844 468933232 /nfs/dbraw/zinc/93/32/32/468933232.db2.gz UHMGMJDXIMKINN-OAHLLOKOSA-N 1 2 329.400 2.205 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[NH+]1CCN(C(=O)C(C)(C)C(=C)C)CC1 ZINC000614908838 469091995 /nfs/dbraw/zinc/09/19/95/469091995.db2.gz IXIWBTSKDROBAW-UHFFFAOYSA-N 1 2 349.519 2.451 20 30 EEEDLO CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611550352 469276333 /nfs/dbraw/zinc/27/63/33/469276333.db2.gz DJPCIXKFSRIWCR-YJBOKZPZSA-N 1 2 346.450 2.263 20 30 EEEDLO COC(=O)c1ccc(F)c2c1C[N@H+](C[C@@H](O)CC(C)(C)C#N)CC2 ZINC000599549016 469289167 /nfs/dbraw/zinc/28/91/67/469289167.db2.gz MAJIKMBTCWNBBF-LBPRGKRZSA-N 1 2 334.391 2.271 20 30 EEEDLO COC(=O)c1ccc(F)c2c1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC2 ZINC000599549016 469289172 /nfs/dbraw/zinc/28/91/72/469289172.db2.gz MAJIKMBTCWNBBF-LBPRGKRZSA-N 1 2 334.391 2.271 20 30 EEEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCOCC(F)F)CC1 ZINC000615795457 469317083 /nfs/dbraw/zinc/31/70/83/469317083.db2.gz DPDGDOTVSDGCCR-HNNXBMFYSA-N 1 2 327.350 2.290 20 30 EEEDLO N#Cc1cnc2ccccc2c1N1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000603286092 469336820 /nfs/dbraw/zinc/33/68/20/469336820.db2.gz XFOISPXKTLRDHD-UHFFFAOYSA-N 1 2 345.406 2.320 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000616132529 469377976 /nfs/dbraw/zinc/37/79/76/469377976.db2.gz NYWGVCUUXYKFQY-GJZGRUSLSA-N 1 2 344.434 2.287 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000616132529 469377982 /nfs/dbraw/zinc/37/79/82/469377982.db2.gz NYWGVCUUXYKFQY-GJZGRUSLSA-N 1 2 344.434 2.287 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCOc4ccccc4C3)C2=O)cc1 ZINC000609121622 469892091 /nfs/dbraw/zinc/89/20/91/469892091.db2.gz KZXAQPRBNOVPNT-KRWDZBQOSA-N 1 2 347.374 2.085 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCOc4ccccc4C3)C2=O)cc1 ZINC000609121622 469892096 /nfs/dbraw/zinc/89/20/96/469892096.db2.gz KZXAQPRBNOVPNT-KRWDZBQOSA-N 1 2 347.374 2.085 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000609538660 469937604 /nfs/dbraw/zinc/93/76/04/469937604.db2.gz MSFICYKUWRSDQS-SFHVURJKSA-N 1 2 332.492 2.086 20 30 EEEDLO COCCN(CCC#N)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000610392297 470010203 /nfs/dbraw/zinc/01/02/03/470010203.db2.gz UOAJGFHGRBVNRV-UHFFFAOYSA-N 1 2 337.221 2.459 20 30 EEEDLO CC(=O)c1cccc(OCCCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000650026512 470772253 /nfs/dbraw/zinc/77/22/53/470772253.db2.gz JYHDUMXQUJJDQC-SFHVURJKSA-N 1 2 331.416 2.008 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C2(c3ccc(F)cc3)CCOCC2)nn1 ZINC000656437948 471716640 /nfs/dbraw/zinc/71/66/40/471716640.db2.gz QIJMIRJAIIYXLY-UHFFFAOYSA-N 1 2 328.391 2.084 20 30 EEEDLO N#Cc1ccc(N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)nc1 ZINC000171543429 534793076 /nfs/dbraw/zinc/79/30/76/534793076.db2.gz CNRCZFMCKFZIFW-UHFFFAOYSA-N 1 2 349.442 2.060 20 30 EEEDLO N#Cc1ccc(N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)nc1 ZINC000171543429 534793080 /nfs/dbraw/zinc/79/30/80/534793080.db2.gz CNRCZFMCKFZIFW-UHFFFAOYSA-N 1 2 349.442 2.060 20 30 EEEDLO C=CCOCCCC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000266234285 534872585 /nfs/dbraw/zinc/87/25/85/534872585.db2.gz MTJLJYUJDUMINK-UHFFFAOYSA-N 1 2 332.444 2.192 20 30 EEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 ZINC000191120404 526298700 /nfs/dbraw/zinc/29/87/00/526298700.db2.gz YNSUPCVVCFMREU-UHFFFAOYSA-N 1 2 346.406 2.393 20 30 EEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 ZINC000191120404 526298704 /nfs/dbraw/zinc/29/87/04/526298704.db2.gz YNSUPCVVCFMREU-UHFFFAOYSA-N 1 2 346.406 2.393 20 30 EEEDLO C=CC1CC[NH+](Cc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)CC1 ZINC000111259790 526980863 /nfs/dbraw/zinc/98/08/63/526980863.db2.gz LKHNNUKBRJQTLE-UHFFFAOYSA-N 1 2 327.384 2.108 20 30 EEEDLO CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000191957968 529294648 /nfs/dbraw/zinc/29/46/48/529294648.db2.gz JHADVWZJDMMHKI-HNNXBMFYSA-N 1 2 330.432 2.196 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1cc(Br)cs1 ZINC000493636907 535970626 /nfs/dbraw/zinc/97/06/26/535970626.db2.gz ZSKWKCKOLOTRIZ-IHVVCDCBSA-N 1 2 342.262 2.484 20 30 EEEDLO C#Cc1ccc(C(=O)N(CCCCCC)CC[NH+]2CCOCC2)cn1 ZINC000728861228 576547747 /nfs/dbraw/zinc/54/77/47/576547747.db2.gz MXRQPECFWRSQAC-UHFFFAOYSA-N 1 2 343.471 2.418 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(/C=C\C(=O)OCC)cc1 ZINC000730095679 576713741 /nfs/dbraw/zinc/71/37/41/576713741.db2.gz BIDYPOQHFXPFEL-GKUQOKNUSA-N 1 2 326.396 2.299 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(/C=C\C(=O)OCC)cc1 ZINC000730095679 576713743 /nfs/dbraw/zinc/71/37/43/576713743.db2.gz BIDYPOQHFXPFEL-GKUQOKNUSA-N 1 2 326.396 2.299 20 30 EEEDLO N#Cc1cccnc1NCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000730121815 576717639 /nfs/dbraw/zinc/71/76/39/576717639.db2.gz BAVZZBUHSMPNNC-AWEZNQCLSA-N 1 2 339.403 2.025 20 30 EEEDLO CN(CCC#N)C(=O)CC[NH2+]C1(C(=O)OC(C)(C)C)CCCCC1 ZINC000771456412 577213395 /nfs/dbraw/zinc/21/33/95/577213395.db2.gz CXSBNTHXMHTFQV-UHFFFAOYSA-N 1 2 337.464 2.383 20 30 EEEDLO C#C[C@H]([NH2+]Cc1nc(-c2ccc(OCC)cc2)no1)[C@H]1CCCO1 ZINC000775795717 577445961 /nfs/dbraw/zinc/44/59/61/577445961.db2.gz YZUVQHZIWPVAIL-JKSUJKDBSA-N 1 2 327.384 2.406 20 30 EEEDLO C#C[C@H]([NH2+]Cc1nc(-c2ccc(OC)cc2OC)no1)[C@@H]1CCCO1 ZINC000775801029 577446329 /nfs/dbraw/zinc/44/63/29/577446329.db2.gz VVRZNYMBNWEUCP-GJZGRUSLSA-N 1 2 343.383 2.024 20 30 EEEDLO CCOC(=O)N1CCC([C@H](C)/[NH+]=C/c2ccc(O)c(O)c2O)CC1 ZINC000777401774 577478127 /nfs/dbraw/zinc/47/81/27/577478127.db2.gz QZGGVGHEUPMHPA-HPAYWCODSA-N 1 2 336.388 2.479 20 30 EEEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767578360 577540239 /nfs/dbraw/zinc/54/02/39/577540239.db2.gz MXJPNGIHRMPIFY-CALCHBBNSA-N 1 2 344.411 2.122 20 30 EEEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767578360 577540240 /nfs/dbraw/zinc/54/02/40/577540240.db2.gz MXJPNGIHRMPIFY-CALCHBBNSA-N 1 2 344.411 2.122 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)O[C@@H](Cc2c(F)cccc2F)C(C)=O)CC1 ZINC000768693966 577561009 /nfs/dbraw/zinc/56/10/09/577561009.db2.gz WKZYSTHIFPXYPH-SFHVURJKSA-N 1 2 349.377 2.353 20 30 EEEDLO N#CCCN1CC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000760945549 577672639 /nfs/dbraw/zinc/67/26/39/577672639.db2.gz ZTGYNJKEMWJTSQ-OAHLLOKOSA-N 1 2 338.249 2.014 20 30 EEEDLO CCOC(=O)[C@H]1CCC(N=Nc2ccc(-n3cc[nH+]c3)nn2)C[C@@H]1C ZINC000761837587 577689883 /nfs/dbraw/zinc/68/98/83/577689883.db2.gz GXCWTNMLXVPQFL-JSGCOSHPSA-N 1 2 342.403 2.430 20 30 EEEDLO CCCCCCCCCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000751075942 577747817 /nfs/dbraw/zinc/74/78/17/577747817.db2.gz RNMHUZCSKBXBLF-UHFFFAOYSA-N 1 2 340.512 2.328 20 30 EEEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000751665402 577757074 /nfs/dbraw/zinc/75/70/74/577757074.db2.gz CDIPBQBCIVXOPU-CVEARBPZSA-N 1 2 330.384 2.190 20 30 EEEDLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000751665402 577757075 /nfs/dbraw/zinc/75/70/75/577757075.db2.gz CDIPBQBCIVXOPU-CVEARBPZSA-N 1 2 330.384 2.190 20 30 EEEDLO CC(C)(C)CC(=O)N1CCC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)CC1 ZINC000753934028 577796552 /nfs/dbraw/zinc/79/65/52/577796552.db2.gz GKNXLNYOBYBPMW-GJZGRUSLSA-N 1 2 333.480 2.261 20 30 EEEDLO Cc1nc(NCc2cccc(C(=O)NC3=NO[C@@H](C)C3)c2)cc[nH+]1 ZINC000755642662 577828356 /nfs/dbraw/zinc/82/83/56/577828356.db2.gz GJPDXZKYGOMEQT-NSHDSACASA-N 1 2 325.372 2.249 20 30 EEEDLO CC(C)(C)OCCCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000756863883 577851903 /nfs/dbraw/zinc/85/19/03/577851903.db2.gz RUYHOUWOECHTKD-UHFFFAOYSA-N 1 2 349.475 2.361 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000742669847 577875101 /nfs/dbraw/zinc/87/51/01/577875101.db2.gz DJJPHUQXPREYDR-UHFFFAOYSA-N 1 2 327.211 2.150 20 30 EEEDLO Cc1ocnc1C(=O)N[C@H](C)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000969361297 674891140 /nfs/dbraw/zinc/89/11/40/674891140.db2.gz IJXNCWJOSKVWMU-CYBMUJFWSA-N 1 2 341.386 2.224 20 30 EEEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2cc(F)ccc2F)C1 ZINC000969462036 675057981 /nfs/dbraw/zinc/05/79/81/675057981.db2.gz CLDSPNBBGPDMIS-NSHDSACASA-N 1 2 344.365 2.415 20 30 EEEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2cccc(F)c2F)C1 ZINC000969463863 675059316 /nfs/dbraw/zinc/05/93/16/675059316.db2.gz WLSSQSVEWGJKBB-NSHDSACASA-N 1 2 344.365 2.415 20 30 EEEDLO C[C@@H](NC(=O)[C@@H]1CC12CC2)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970495308 675937364 /nfs/dbraw/zinc/93/73/64/675937364.db2.gz NOLXIYBSUDQWNU-WBMJQRKESA-N 1 2 327.403 2.434 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000970753343 676124688 /nfs/dbraw/zinc/12/46/88/676124688.db2.gz IWYNIRFNNLJSFW-CYBMUJFWSA-N 1 2 349.862 2.191 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H](C)C1C[NH+](Cc2ccn(CC)n2)C1 ZINC000969838546 675242734 /nfs/dbraw/zinc/24/27/34/675242734.db2.gz YXAXQYZMDUSMIA-OAHLLOKOSA-N 1 2 341.459 2.141 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2COc3ccccc3C2)C1 ZINC000970103341 675494871 /nfs/dbraw/zinc/49/48/71/675494871.db2.gz CAFKBYGUJBWMFG-DZGCQCFKSA-N 1 2 334.847 2.427 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC000970332559 675788903 /nfs/dbraw/zinc/78/89/03/675788903.db2.gz VGDBJNGKLJWIEG-GXTWGEPZSA-N 1 2 336.867 2.029 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H]4CN(CC#N)CC[C@@H]43)ccn12 ZINC001021586588 676240694 /nfs/dbraw/zinc/24/06/94/676240694.db2.gz CNQVBYXYQYQUDU-SJORKVTESA-N 1 2 337.427 2.093 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000970980976 676291839 /nfs/dbraw/zinc/29/18/39/676291839.db2.gz IFGGQZNASUWCES-CYBMUJFWSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000891505280 676678363 /nfs/dbraw/zinc/67/83/63/676678363.db2.gz INJNYNCAELJHHW-SFHVURJKSA-N 1 2 329.444 2.249 20 30 EEEDLO C=C1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000891505280 676678365 /nfs/dbraw/zinc/67/83/65/676678365.db2.gz INJNYNCAELJHHW-SFHVURJKSA-N 1 2 329.444 2.249 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3noc(-c4ccoc4)n3)C2)C1 ZINC001022681136 678217317 /nfs/dbraw/zinc/21/73/17/678217317.db2.gz RAKVPYNWOMSTPG-OKILXGFUSA-N 1 2 342.399 2.423 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C)C2)C1 ZINC000972394496 678675043 /nfs/dbraw/zinc/67/50/43/678675043.db2.gz IUNHYTUUIRLPPS-FQEVSTJZSA-N 1 2 344.455 2.035 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C)C2)C1 ZINC000972394496 678675048 /nfs/dbraw/zinc/67/50/48/678675048.db2.gz IUNHYTUUIRLPPS-FQEVSTJZSA-N 1 2 344.455 2.035 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@]2(C1)C[N@H+](C[C@@H](F)CC)CCO2 ZINC000972413696 678706493 /nfs/dbraw/zinc/70/64/93/678706493.db2.gz PCCMWFGLBSWGTE-QFBILLFUSA-N 1 2 349.450 2.339 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@]2(C1)C[N@@H+](C[C@@H](F)CC)CCO2 ZINC000972413696 678706497 /nfs/dbraw/zinc/70/64/97/678706497.db2.gz PCCMWFGLBSWGTE-QFBILLFUSA-N 1 2 349.450 2.339 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)noc3C(F)F)C2)C1 ZINC000972424643 678722809 /nfs/dbraw/zinc/72/28/09/678722809.db2.gz KZKLLVUCDDTWCV-INIZCTEOSA-N 1 2 341.358 2.024 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)noc3C(F)F)C2)C1 ZINC000972424643 678722813 /nfs/dbraw/zinc/72/28/13/678722813.db2.gz KZKLLVUCDDTWCV-INIZCTEOSA-N 1 2 341.358 2.024 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)c3ccncc3)C2)C1 ZINC000972435742 678738164 /nfs/dbraw/zinc/73/81/64/678738164.db2.gz QIFWVLKGVZLNCM-LPHOPBHVSA-N 1 2 329.444 2.065 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)c3ccncc3)C2)C1 ZINC000972435742 678738168 /nfs/dbraw/zinc/73/81/68/678738168.db2.gz QIFWVLKGVZLNCM-LPHOPBHVSA-N 1 2 329.444 2.065 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCC3(F)F)C2)C1 ZINC000972480495 678848193 /nfs/dbraw/zinc/84/81/93/678848193.db2.gz NEUXTVMCMMMAAH-GOEBONIOSA-N 1 2 328.403 2.301 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCC3(F)F)C2)C1 ZINC000972480495 678848198 /nfs/dbraw/zinc/84/81/98/678848198.db2.gz NEUXTVMCMMMAAH-GOEBONIOSA-N 1 2 328.403 2.301 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3occc3C(C)C)C2)C1 ZINC000972514957 679132850 /nfs/dbraw/zinc/13/28/50/679132850.db2.gz RTJUTCYJUTWKJC-LJQANCHMSA-N 1 2 330.428 2.343 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3occc3C(C)C)C2)C1 ZINC000972514957 679132852 /nfs/dbraw/zinc/13/28/52/679132852.db2.gz RTJUTCYJUTWKJC-LJQANCHMSA-N 1 2 330.428 2.343 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccsc3Cl)C2)C1 ZINC000972581457 679349651 /nfs/dbraw/zinc/34/96/51/679349651.db2.gz ACKZZWBRYQZSPR-MRXNPFEDSA-N 1 2 338.860 2.342 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccsc3Cl)C2)C1 ZINC000972581457 679349652 /nfs/dbraw/zinc/34/96/52/679349652.db2.gz ACKZZWBRYQZSPR-MRXNPFEDSA-N 1 2 338.860 2.342 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3cc(C)oc3C)C2)C1 ZINC000972599610 679403448 /nfs/dbraw/zinc/40/34/48/679403448.db2.gz UPKPJUCORSBUDM-OXJNMPFZSA-N 1 2 344.455 2.327 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3cc(C)oc3C)C2)C1 ZINC000972599610 679403451 /nfs/dbraw/zinc/40/34/51/679403451.db2.gz UPKPJUCORSBUDM-OXJNMPFZSA-N 1 2 344.455 2.327 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4ccncc4c3)C2)C1 ZINC000972628102 679454185 /nfs/dbraw/zinc/45/41/85/679454185.db2.gz NRPRYOCPPVGEKL-HXUWFJFHSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4ccncc4c3)C2)C1 ZINC000972628102 679454186 /nfs/dbraw/zinc/45/41/86/679454186.db2.gz NRPRYOCPPVGEKL-HXUWFJFHSA-N 1 2 337.423 2.338 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@]2(C)CCCOC2)C1 ZINC000972629784 679459352 /nfs/dbraw/zinc/45/93/52/679459352.db2.gz XPJSCCRWTKRSHA-ZFWWWQNUSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@]2(C)CCCOC2)C1 ZINC000972629784 679459353 /nfs/dbraw/zinc/45/93/53/679459353.db2.gz XPJSCCRWTKRSHA-ZFWWWQNUSA-N 1 2 345.281 2.244 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccc(C)cc3)C2)C1 ZINC000972643123 679495788 /nfs/dbraw/zinc/49/57/88/679495788.db2.gz OJXBLNWVESCCSP-PXNSSMCTSA-N 1 2 326.440 2.035 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccc(C)cc3)C2)C1 ZINC000972643123 679495790 /nfs/dbraw/zinc/49/57/90/679495790.db2.gz OJXBLNWVESCCSP-PXNSSMCTSA-N 1 2 326.440 2.035 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC4(CCC4)CO3)C2)C1 ZINC000972643486 679497439 /nfs/dbraw/zinc/49/74/39/679497439.db2.gz QKVQCAWDRUNCTN-FXAWDEMLSA-N 1 2 348.487 2.215 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC4(CCC4)CO3)C2)C1 ZINC000972643486 679497442 /nfs/dbraw/zinc/49/74/42/679497442.db2.gz QKVQCAWDRUNCTN-FXAWDEMLSA-N 1 2 348.487 2.215 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3Cc4ccc(Cl)cc43)C2)C1 ZINC000972660038 679525638 /nfs/dbraw/zinc/52/56/38/679525638.db2.gz RVIOXCAXWBYKHG-PKOBYXMFSA-N 1 2 346.858 2.469 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3Cc4ccc(Cl)cc43)C2)C1 ZINC000972660038 679525641 /nfs/dbraw/zinc/52/56/41/679525641.db2.gz RVIOXCAXWBYKHG-PKOBYXMFSA-N 1 2 346.858 2.469 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(c4ccccc4)CC3)C2)C1 ZINC000972663003 679531976 /nfs/dbraw/zinc/53/19/76/679531976.db2.gz XOOHCIZISFCUCR-FQEVSTJZSA-N 1 2 338.451 2.045 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(c4ccccc4)CC3)C2)C1 ZINC000972663003 679531978 /nfs/dbraw/zinc/53/19/78/679531978.db2.gz XOOHCIZISFCUCR-FQEVSTJZSA-N 1 2 338.451 2.045 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3cccc(F)c3)C2)C1 ZINC000972684351 679598980 /nfs/dbraw/zinc/59/89/80/679598980.db2.gz RPQVURWCKIULDO-OXJNMPFZSA-N 1 2 344.430 2.256 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3cccc(F)c3)C2)C1 ZINC000972684351 679598984 /nfs/dbraw/zinc/59/89/84/679598984.db2.gz RPQVURWCKIULDO-OXJNMPFZSA-N 1 2 344.430 2.256 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3cccc(F)c3)C2)C1 ZINC000972684739 679599922 /nfs/dbraw/zinc/59/99/22/679599922.db2.gz WPCCWKFKIAAUDC-DNVCBOLYSA-N 1 2 332.419 2.419 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3cccc(F)c3)C2)C1 ZINC000972684739 679599925 /nfs/dbraw/zinc/59/99/25/679599925.db2.gz WPCCWKFKIAAUDC-DNVCBOLYSA-N 1 2 332.419 2.419 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C34CC(C(F)(F)F)(C3)C4)C2)C1 ZINC000972688524 679605102 /nfs/dbraw/zinc/60/51/02/679605102.db2.gz OPKSOKYRNNYPSL-GPANFISMSA-N 1 2 344.377 2.208 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C34CC(C(F)(F)F)(C3)C4)C2)C1 ZINC000972688524 679605104 /nfs/dbraw/zinc/60/51/04/679605104.db2.gz OPKSOKYRNNYPSL-GPANFISMSA-N 1 2 344.377 2.208 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(-c4ccccc4)[nH]3)C2)C1 ZINC000972695977 679621764 /nfs/dbraw/zinc/62/17/64/679621764.db2.gz LFRYIHXKORRSOB-OAQYLSRUSA-N 1 2 349.434 2.232 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(-c4ccccc4)[nH]3)C2)C1 ZINC000972695977 679621766 /nfs/dbraw/zinc/62/17/66/679621766.db2.gz LFRYIHXKORRSOB-OAQYLSRUSA-N 1 2 349.434 2.232 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnccn1 ZINC001024310003 679870148 /nfs/dbraw/zinc/87/01/48/679870148.db2.gz DGFRWUBSSJPMCF-QGZVFWFLSA-N 1 2 335.411 2.133 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnccn1 ZINC001024310003 679870150 /nfs/dbraw/zinc/87/01/50/679870150.db2.gz DGFRWUBSSJPMCF-QGZVFWFLSA-N 1 2 335.411 2.133 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2CNC(=O)[C@H]2CCCO2)c1 ZINC001024314163 679871539 /nfs/dbraw/zinc/87/15/39/679871539.db2.gz GTDZWWRSVKOETP-FUHWJXTLSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2CNC(=O)[C@H]2CCCO2)c1 ZINC001024314163 679871540 /nfs/dbraw/zinc/87/15/40/679871540.db2.gz GTDZWWRSVKOETP-FUHWJXTLSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccn[nH]2)c1 ZINC001024346401 679878793 /nfs/dbraw/zinc/87/87/93/679878793.db2.gz KQXHGEQAFZRXEY-HNNXBMFYSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccn[nH]2)c1 ZINC001024346401 679878794 /nfs/dbraw/zinc/87/87/94/679878794.db2.gz KQXHGEQAFZRXEY-HNNXBMFYSA-N 1 2 341.390 2.205 20 30 EEEDLO C[C@]1(C(=O)N2CCC[N@H+](Cc3ccccc3C#N)CC2)CCOC1 ZINC000982872316 681443840 /nfs/dbraw/zinc/44/38/40/681443840.db2.gz SYNZNEZPINFVBZ-IBGZPJMESA-N 1 2 327.428 2.019 20 30 EEEDLO C[C@]1(C(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)CCOC1 ZINC000982872316 681443843 /nfs/dbraw/zinc/44/38/43/681443843.db2.gz SYNZNEZPINFVBZ-IBGZPJMESA-N 1 2 327.428 2.019 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)o1 ZINC000973006178 681836706 /nfs/dbraw/zinc/83/67/06/681836706.db2.gz PSLJXCZLEPVSDL-IUODEOHRSA-N 1 2 341.415 2.384 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)o1 ZINC000973006178 681836714 /nfs/dbraw/zinc/83/67/14/681836714.db2.gz PSLJXCZLEPVSDL-IUODEOHRSA-N 1 2 341.415 2.384 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(Cl)n(C)n2)C(C)(C)C1 ZINC000974825896 685588349 /nfs/dbraw/zinc/58/83/49/685588349.db2.gz VVYCKVTUQLAXGS-LLVKDONJSA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)n(C)n2)C(C)(C)C1 ZINC000974825896 685588351 /nfs/dbraw/zinc/58/83/51/685588351.db2.gz VVYCKVTUQLAXGS-LLVKDONJSA-N 1 2 331.247 2.266 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC000937406503 682916709 /nfs/dbraw/zinc/91/67/09/682916709.db2.gz ASYSKSHWPWBUEI-CVEARBPZSA-N 1 2 344.459 2.250 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2N(C)C(C)=O)C1 ZINC001015437863 683666695 /nfs/dbraw/zinc/66/66/95/683666695.db2.gz ISAFFCVIZVTOQY-AWEZNQCLSA-N 1 2 335.835 2.226 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2N(C)C(C)=O)C1 ZINC001015437863 683666698 /nfs/dbraw/zinc/66/66/98/683666698.db2.gz ISAFFCVIZVTOQY-AWEZNQCLSA-N 1 2 335.835 2.226 20 30 EEEDLO CC(C)(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001029246783 683681941 /nfs/dbraw/zinc/68/19/41/683681941.db2.gz QCDKLHSFHODROK-CALCHBBNSA-N 1 2 339.439 2.349 20 30 EEEDLO CC(C)(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001029246783 683681943 /nfs/dbraw/zinc/68/19/43/683681943.db2.gz QCDKLHSFHODROK-CALCHBBNSA-N 1 2 339.439 2.349 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@]1(C)CC ZINC001026129955 683885664 /nfs/dbraw/zinc/88/56/64/683885664.db2.gz BBPZHYROSPVSCV-GGAZOKNXSA-N 1 2 327.266 2.378 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@]1(C)CC ZINC001026129955 683885671 /nfs/dbraw/zinc/88/56/71/683885671.db2.gz BBPZHYROSPVSCV-GGAZOKNXSA-N 1 2 327.266 2.378 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccns1 ZINC001029311975 683964118 /nfs/dbraw/zinc/96/41/18/683964118.db2.gz KCZPVMCIRXEXBY-WTTBNOFXSA-N 1 2 347.484 2.300 20 30 EEEDLO 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C[C@@H]1[C@@H](NC(=O)c2ccncc2F)CC[N@@H+]1Cc1ccccc1C#N ZINC001088504546 1187075966 /nfs/dbraw/zinc/07/59/66/1187075966.db2.gz OYBRFMYBIVGCKD-ACJLOTCBSA-N 1 2 338.386 2.485 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccncc2F)CC[N@H+]1Cc1ccccc1C#N ZINC001088504546 1187075972 /nfs/dbraw/zinc/07/59/72/1187075972.db2.gz OYBRFMYBIVGCKD-ACJLOTCBSA-N 1 2 338.386 2.485 20 30 EEEDLO Cc1ccc(C#N)c(N(C)CCN(C)C(=O)c2cccc3[nH+]ccn32)n1 ZINC001105502091 1188121795 /nfs/dbraw/zinc/12/17/95/1188121795.db2.gz RVLSHVHMIPQZJH-UHFFFAOYSA-N 1 2 348.410 2.118 20 30 EEEDLO Cc1nc(NC2CC(N(C)C(=O)[C@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001126876822 1188540428 /nfs/dbraw/zinc/54/04/28/1188540428.db2.gz UEHRKCPNVQBLHU-LMWSTFAQSA-N 1 2 327.432 2.225 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]21 ZINC001076263456 1188815613 /nfs/dbraw/zinc/81/56/13/1188815613.db2.gz BXDPQCCDYPFFLK-SVGFKBNWSA-N 1 2 347.484 2.075 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3csc(C)n3)C[C@H]21 ZINC001076263456 1188815617 /nfs/dbraw/zinc/81/56/17/1188815617.db2.gz BXDPQCCDYPFFLK-SVGFKBNWSA-N 1 2 347.484 2.075 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001076531812 1188972499 /nfs/dbraw/zinc/97/24/99/1188972499.db2.gz FFLCAAYGDSUZFK-BFHYXJOUSA-N 1 2 332.448 2.127 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001076531812 1188972501 /nfs/dbraw/zinc/97/25/01/1188972501.db2.gz FFLCAAYGDSUZFK-BFHYXJOUSA-N 1 2 332.448 2.127 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001076711226 1189120853 /nfs/dbraw/zinc/12/08/53/1189120853.db2.gz CAWSICYUUWVCAL-CABCVRRESA-N 1 2 346.475 2.346 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001076711226 1189120858 /nfs/dbraw/zinc/12/08/58/1189120858.db2.gz CAWSICYUUWVCAL-CABCVRRESA-N 1 2 346.475 2.346 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC3CCCCC3)C2)s1 ZINC001076716731 1189124039 /nfs/dbraw/zinc/12/40/39/1189124039.db2.gz XLLOLTNAGWVSRU-IAGOWNOFSA-N 1 2 347.484 2.251 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3CCCCC3)C2)s1 ZINC001076716731 1189124042 /nfs/dbraw/zinc/12/40/42/1189124042.db2.gz XLLOLTNAGWVSRU-IAGOWNOFSA-N 1 2 347.484 2.251 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)/C(C)=C\CC)CC2)C1 ZINC001105694938 1189638783 /nfs/dbraw/zinc/63/87/83/1189638783.db2.gz AMPNHITXEAYOBS-SOFYXZRVSA-N 1 2 336.476 2.237 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(N2CCCCC2)c(F)c1 ZINC000905445032 1189729137 /nfs/dbraw/zinc/72/91/37/1189729137.db2.gz GBRFCGLJEVAYRK-MRXNPFEDSA-N 1 2 334.439 2.434 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(N2CCCCC2)c(F)c1 ZINC000905445032 1189729140 /nfs/dbraw/zinc/72/91/40/1189729140.db2.gz GBRFCGLJEVAYRK-MRXNPFEDSA-N 1 2 334.439 2.434 20 30 EEEDLO N#CCCCN1CC[C@]2(CC[N@@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001272617278 1190932661 /nfs/dbraw/zinc/93/26/61/1190932661.db2.gz WACOADINFDSUGB-SFHVURJKSA-N 1 2 349.381 2.399 20 30 EEEDLO N#CCCCN1CC[C@]2(CC[N@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001272617278 1190932664 /nfs/dbraw/zinc/93/26/64/1190932664.db2.gz WACOADINFDSUGB-SFHVURJKSA-N 1 2 349.381 2.399 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)c(C#N)c(F)c2)C1=O ZINC001272660796 1190978160 /nfs/dbraw/zinc/97/81/60/1190978160.db2.gz WLFJSSMTNDOBNK-SFHVURJKSA-N 1 2 329.350 2.037 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)c(C#N)c(F)c2)C1=O ZINC001272660796 1190978162 /nfs/dbraw/zinc/97/81/62/1190978162.db2.gz WLFJSSMTNDOBNK-SFHVURJKSA-N 1 2 329.350 2.037 20 30 EEEDLO N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2nc3ccccc3[nH]2)C1=O ZINC001272668628 1191002785 /nfs/dbraw/zinc/00/27/85/1191002785.db2.gz RUDFOYVWBQDXGX-IBGZPJMESA-N 1 2 337.427 2.434 20 30 EEEDLO N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2nc3ccccc3[nH]2)C1=O ZINC001272668628 1191002787 /nfs/dbraw/zinc/00/27/87/1191002787.db2.gz RUDFOYVWBQDXGX-IBGZPJMESA-N 1 2 337.427 2.434 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)C[C@H]2CCOC2)CC1 ZINC001483964470 1191133931 /nfs/dbraw/zinc/13/39/31/1191133931.db2.gz WVTJREONJRXJDU-CYBMUJFWSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001011393931 1224158446 /nfs/dbraw/zinc/15/84/46/1224158446.db2.gz CGAXRNVLTXNDRS-IBGZPJMESA-N 1 2 340.427 2.450 20 30 EEEDLO Cc1nocc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033378601 1194505060 /nfs/dbraw/zinc/50/50/60/1194505060.db2.gz MFBXPGWDRAOEGP-OAHLLOKOSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1nocc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033378601 1194505066 /nfs/dbraw/zinc/50/50/66/1194505066.db2.gz MFBXPGWDRAOEGP-OAHLLOKOSA-N 1 2 342.374 2.340 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)CC2=CCOCC2)C1 ZINC001033384939 1194518098 /nfs/dbraw/zinc/51/80/98/1194518098.db2.gz ZYUCUAQTJBCZLO-AWEZNQCLSA-N 1 2 343.265 2.165 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)CC2=CCOCC2)C1 ZINC001033384939 1194518103 /nfs/dbraw/zinc/51/81/03/1194518103.db2.gz ZYUCUAQTJBCZLO-AWEZNQCLSA-N 1 2 343.265 2.165 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2csc(CC)n2)C1 ZINC001033436169 1194589974 /nfs/dbraw/zinc/58/99/74/1194589974.db2.gz SWFDBLJWEQSSHK-XHSDSOJGSA-N 1 2 349.500 2.329 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2csc(CC)n2)C1 ZINC001033436169 1194589975 /nfs/dbraw/zinc/58/99/75/1194589975.db2.gz SWFDBLJWEQSSHK-XHSDSOJGSA-N 1 2 349.500 2.329 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3nc(C)cs3)C2)nc1 ZINC001033593516 1194922734 /nfs/dbraw/zinc/92/27/34/1194922734.db2.gz MVJMFANAIFKGCR-OAHLLOKOSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3nc(C)cs3)C2)nc1 ZINC001033593516 1194922738 /nfs/dbraw/zinc/92/27/38/1194922738.db2.gz MVJMFANAIFKGCR-OAHLLOKOSA-N 1 2 340.452 2.174 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC001018041687 1224249394 /nfs/dbraw/zinc/24/93/94/1224249394.db2.gz SUDSYWNHZOQGEM-KVPLUYHFSA-N 1 2 338.451 2.497 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC001018041687 1224249400 /nfs/dbraw/zinc/24/94/00/1224249400.db2.gz SUDSYWNHZOQGEM-KVPLUYHFSA-N 1 2 338.451 2.497 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001033652358 1195020380 /nfs/dbraw/zinc/02/03/80/1195020380.db2.gz HXDIXHIWGMCJHY-CQSZACIVSA-N 1 2 347.850 2.350 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001033652358 1195020385 /nfs/dbraw/zinc/02/03/85/1195020385.db2.gz HXDIXHIWGMCJHY-CQSZACIVSA-N 1 2 347.850 2.350 20 30 EEEDLO CCN(C(=O)[C@@H]1CCOC1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033765509 1195230050 /nfs/dbraw/zinc/23/00/50/1195230050.db2.gz DCTOBFPUGZIOQA-QAPCUYQASA-N 1 2 345.418 2.157 20 30 EEEDLO CCN(C(=O)[C@@H]1CCOC1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033765509 1195230053 /nfs/dbraw/zinc/23/00/53/1195230053.db2.gz DCTOBFPUGZIOQA-QAPCUYQASA-N 1 2 345.418 2.157 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001033877324 1195414959 /nfs/dbraw/zinc/41/49/59/1195414959.db2.gz ISINDJKMOHXACM-ZBFHGGJFSA-N 1 2 336.867 2.121 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001033877324 1195414961 /nfs/dbraw/zinc/41/49/61/1195414961.db2.gz ISINDJKMOHXACM-ZBFHGGJFSA-N 1 2 336.867 2.121 20 30 EEEDLO CCN(C(=O)c1n[nH]cc1F)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033948983 1195549170 /nfs/dbraw/zinc/54/91/70/1195549170.db2.gz DVNJHVWGUFMGBY-HNNXBMFYSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1n[nH]cc1F)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033948983 1195549174 /nfs/dbraw/zinc/54/91/74/1195549174.db2.gz DVNJHVWGUFMGBY-HNNXBMFYSA-N 1 2 341.390 2.157 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2oc3ccccc3c2OC)C1 ZINC001108116985 1195763617 /nfs/dbraw/zinc/76/36/17/1195763617.db2.gz HKJWHWOQAOLCSG-LJQANCHMSA-N 1 2 344.411 2.448 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2oc3ccccc3c2OC)C1 ZINC001108116985 1195763622 /nfs/dbraw/zinc/76/36/22/1195763622.db2.gz HKJWHWOQAOLCSG-LJQANCHMSA-N 1 2 344.411 2.448 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@H+](Cc2cccnc2C)CCO1 ZINC001108118967 1195897641 /nfs/dbraw/zinc/89/76/41/1195897641.db2.gz GOJSJWQCBFTPQU-IBGZPJMESA-N 1 2 331.460 2.309 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@@H+](Cc2cccnc2C)CCO1 ZINC001108118967 1195897645 /nfs/dbraw/zinc/89/76/45/1195897645.db2.gz GOJSJWQCBFTPQU-IBGZPJMESA-N 1 2 331.460 2.309 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@H+](CCOc2ccccc2)CCO1 ZINC001108122374 1195997739 /nfs/dbraw/zinc/99/77/39/1195997739.db2.gz RUCPGOSVKWZGCV-FQEVSTJZSA-N 1 2 346.471 2.485 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@@H+](CCOc2ccccc2)CCO1 ZINC001108122374 1195997741 /nfs/dbraw/zinc/99/77/41/1195997741.db2.gz RUCPGOSVKWZGCV-FQEVSTJZSA-N 1 2 346.471 2.485 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2coc(OCC)n2)C1 ZINC001034288621 1196051414 /nfs/dbraw/zinc/05/14/14/1196051414.db2.gz LSLGXXQKUGHRIT-LBPRGKRZSA-N 1 2 327.812 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2coc(OCC)n2)C1 ZINC001034288621 1196051417 /nfs/dbraw/zinc/05/14/17/1196051417.db2.gz LSLGXXQKUGHRIT-LBPRGKRZSA-N 1 2 327.812 2.410 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](Cc3ncccn3)C2)cc1 ZINC001034338622 1196110216 /nfs/dbraw/zinc/11/02/16/1196110216.db2.gz DZHSIEXIRJXURN-SFHVURJKSA-N 1 2 334.423 2.242 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](Cc3ncccn3)C2)cc1 ZINC001034338622 1196110217 /nfs/dbraw/zinc/11/02/17/1196110217.db2.gz DZHSIEXIRJXURN-SFHVURJKSA-N 1 2 334.423 2.242 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3coc(C)n3)C2)c1 ZINC001034392569 1196159412 /nfs/dbraw/zinc/15/94/12/1196159412.db2.gz MFNWRQFHHRVETA-QGZVFWFLSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCCC[N@H+](Cc3coc(C)n3)C2)c1 ZINC001034392569 1196159413 /nfs/dbraw/zinc/15/94/13/1196159413.db2.gz MFNWRQFHHRVETA-QGZVFWFLSA-N 1 2 338.411 2.144 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnc3cccnn32)C1 ZINC001034428034 1196204929 /nfs/dbraw/zinc/20/49/29/1196204929.db2.gz IYFXRYQQSZEMQP-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnc3cccnn32)C1 ZINC001034428034 1196204932 /nfs/dbraw/zinc/20/49/32/1196204932.db2.gz IYFXRYQQSZEMQP-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnc3cccnn32)C1 ZINC001034428032 1196204992 /nfs/dbraw/zinc/20/49/92/1196204992.db2.gz IYFXRYQQSZEMQP-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnc3cccnn32)C1 ZINC001034428032 1196204994 /nfs/dbraw/zinc/20/49/94/1196204994.db2.gz IYFXRYQQSZEMQP-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001034436649 1196232278 /nfs/dbraw/zinc/23/22/78/1196232278.db2.gz NOSQEUBDTJPDAX-GFCCVEGCSA-N 1 2 341.253 2.211 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001034436649 1196232282 /nfs/dbraw/zinc/23/22/82/1196232282.db2.gz NOSQEUBDTJPDAX-GFCCVEGCSA-N 1 2 341.253 2.211 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ncc(C)o2)C1 ZINC001034441060 1196236469 /nfs/dbraw/zinc/23/64/69/1196236469.db2.gz AAGWMFZVIGLLID-RYRKJORJSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ncc(C)o2)C1 ZINC001034441060 1196236470 /nfs/dbraw/zinc/23/64/70/1196236470.db2.gz AAGWMFZVIGLLID-RYRKJORJSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC001034462658 1196241422 /nfs/dbraw/zinc/24/14/22/1196241422.db2.gz LANULOZNSIKEOX-UKRRQHHQSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC001034462658 1196241425 /nfs/dbraw/zinc/24/14/25/1196241425.db2.gz LANULOZNSIKEOX-UKRRQHHQSA-N 1 2 345.281 2.292 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)[C@@H]1C ZINC001090231805 1196495794 /nfs/dbraw/zinc/49/57/94/1196495794.db2.gz VZCGZKXNMSIDIV-JYJNAYRXSA-N 1 2 344.459 2.348 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nc1OCC ZINC001018125608 1224365055 /nfs/dbraw/zinc/36/50/55/1224365055.db2.gz WSCSTRDGOBIRSW-IYBDPMFKSA-N 1 2 327.428 2.101 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nc1OCC ZINC001018125608 1224365062 /nfs/dbraw/zinc/36/50/62/1224365062.db2.gz WSCSTRDGOBIRSW-IYBDPMFKSA-N 1 2 327.428 2.101 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NCc2ccc(C[NH2+]Cc3ccon3)cc2)c1 ZINC001034814440 1196768686 /nfs/dbraw/zinc/76/86/86/1196768686.db2.gz DLBBPIYMFFKCOI-UHFFFAOYSA-N 1 2 335.367 2.094 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)cn1 ZINC001273176865 1197347562 /nfs/dbraw/zinc/34/75/62/1197347562.db2.gz BVHFZBQRMVTPCO-ZIAGYGMSSA-N 1 2 338.333 2.081 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)cn1 ZINC001273176865 1197347565 /nfs/dbraw/zinc/34/75/65/1197347565.db2.gz BVHFZBQRMVTPCO-ZIAGYGMSSA-N 1 2 338.333 2.081 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(OC)c1ccccc1 ZINC001018185514 1224438576 /nfs/dbraw/zinc/43/85/76/1224438576.db2.gz LMFJSYJTMUJXSU-WSTZPKSXSA-N 1 2 326.440 2.247 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(OC)c1ccccc1 ZINC001018185514 1224438581 /nfs/dbraw/zinc/43/85/81/1224438581.db2.gz LMFJSYJTMUJXSU-WSTZPKSXSA-N 1 2 326.440 2.247 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccs3)C[C@H]21)OCC ZINC001114351710 1197944815 /nfs/dbraw/zinc/94/48/15/1197944815.db2.gz QNDWKQDPDIDLAV-OEUWWYETSA-N 1 2 335.473 2.061 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21)OCC ZINC001114351710 1197944823 /nfs/dbraw/zinc/94/48/23/1197944823.db2.gz QNDWKQDPDIDLAV-OEUWWYETSA-N 1 2 335.473 2.061 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)c2ccsn2)C1 ZINC001014875004 1224476823 /nfs/dbraw/zinc/47/68/23/1224476823.db2.gz NTDLGQHIJUCPKS-AWEZNQCLSA-N 1 2 342.424 2.028 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)c2ccsn2)C1 ZINC001014875004 1224476828 /nfs/dbraw/zinc/47/68/28/1224476828.db2.gz NTDLGQHIJUCPKS-AWEZNQCLSA-N 1 2 342.424 2.028 20 30 EEEDLO C[C@H](C[C@H](C)NC(=O)CSCC#N)[NH2+]CC(F)(F)C(F)F ZINC001133737207 1198997472 /nfs/dbraw/zinc/99/74/72/1198997472.db2.gz XBFZPUCMILENAC-BDAKNGLRSA-N 1 2 329.363 2.016 20 30 EEEDLO Cc1ncc(C[N@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)cn1 ZINC001132037499 1199222452 /nfs/dbraw/zinc/22/24/52/1199222452.db2.gz CTPXVJBVCXMEHD-PBHICJAKSA-N 1 2 328.460 2.304 20 30 EEEDLO Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)cn1 ZINC001132037499 1199222457 /nfs/dbraw/zinc/22/24/57/1199222457.db2.gz CTPXVJBVCXMEHD-PBHICJAKSA-N 1 2 328.460 2.304 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CNC(=O)CCC(C)C)CC[C@@H]1C ZINC001132360719 1199627748 /nfs/dbraw/zinc/62/77/48/1199627748.db2.gz VTMREPWLIPYUNX-LSDHHAIUSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CNC(=O)CCC(C)C)CC[C@@H]1C ZINC001132360719 1199627752 /nfs/dbraw/zinc/62/77/52/1199627752.db2.gz VTMREPWLIPYUNX-LSDHHAIUSA-N 1 2 343.899 2.260 20 30 EEEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc(-c2ccc(OC)cc2)no1 ZINC001133145409 1200518040 /nfs/dbraw/zinc/51/80/40/1200518040.db2.gz XXWDJMBSNVZGJI-UHFFFAOYSA-N 1 2 344.415 2.307 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1)c1ccccc1 ZINC000878534981 1200525598 /nfs/dbraw/zinc/52/55/98/1200525598.db2.gz UYIGZRHAUOWKQE-DFQSSKMNSA-N 1 2 342.439 2.307 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCO[C@]2(CCO[C@H]2C)C1)c1ccccc1 ZINC000878534981 1200525600 /nfs/dbraw/zinc/52/56/00/1200525600.db2.gz UYIGZRHAUOWKQE-DFQSSKMNSA-N 1 2 342.439 2.307 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2ccc(OCC=C)c(OC)c2)CC1 ZINC000128287388 1201429326 /nfs/dbraw/zinc/42/93/26/1201429326.db2.gz BAPHFSPFAJDIHJ-VQHVLOKHSA-N 1 2 340.423 2.051 20 30 EEEDLO C[C@H]([C@H](C)NC(=O)Nc1cc(C#N)c(F)cc1F)[NH+]1CCOCC1 ZINC000880714993 1201566367 /nfs/dbraw/zinc/56/63/67/1201566367.db2.gz GPFLAZHRXJYPPO-WDEREUQCSA-N 1 2 338.358 2.067 20 30 EEEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1nc3ccc(C)cc3[nH]1)CC2 ZINC001273971985 1201866651 /nfs/dbraw/zinc/86/66/51/1201866651.db2.gz ADGJZSGMEJZNBB-HNNXBMFYSA-N 1 2 336.439 2.223 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NCC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001095373044 1204229696 /nfs/dbraw/zinc/22/96/96/1204229696.db2.gz UDPPNCYSTGTAFJ-IBGZPJMESA-N 1 2 346.475 2.346 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(C)cnc1F)C2 ZINC001274030460 1204336559 /nfs/dbraw/zinc/33/65/59/1204336559.db2.gz NLCGPQRRQLPHMZ-IBGZPJMESA-N 1 2 347.434 2.156 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(C)cnc1F)C2 ZINC001274030460 1204336562 /nfs/dbraw/zinc/33/65/62/1204336562.db2.gz NLCGPQRRQLPHMZ-IBGZPJMESA-N 1 2 347.434 2.156 20 30 EEEDLO C=CC[C@@H](CO)CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890255651 1204816502 /nfs/dbraw/zinc/81/65/02/1204816502.db2.gz WLJYKPVQKHPPNU-NVXWUHKLSA-N 1 2 328.416 2.108 20 30 EEEDLO C#Cc1ccc(C(=O)NCC2(C)CCN(c3cc[nH+]c(C)n3)CC2)cn1 ZINC001110884158 1204964226 /nfs/dbraw/zinc/96/42/26/1204964226.db2.gz XZCMQFFIQNARPP-UHFFFAOYSA-N 1 2 349.438 2.198 20 30 EEEDLO CCCCCCCCCC[C@H](O)C[NH+]1CC2(C1)CN(C)C(=O)CO2 ZINC001274647657 1205111995 /nfs/dbraw/zinc/11/19/95/1205111995.db2.gz STCIFXUPSJUGGL-KRWDZBQOSA-N 1 2 340.508 2.421 20 30 EEEDLO CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C#N)ccc1O ZINC001274666410 1205123973 /nfs/dbraw/zinc/12/39/73/1205123973.db2.gz GPDUGDPNGOKQNZ-IAGOWNOFSA-N 1 2 327.428 2.485 20 30 EEEDLO CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(C#N)ccc1O ZINC001274666410 1205123974 /nfs/dbraw/zinc/12/39/74/1205123974.db2.gz GPDUGDPNGOKQNZ-IAGOWNOFSA-N 1 2 327.428 2.485 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@]23CCN(Cc2cnoc2)C3=O)s1 ZINC001274746946 1205151569 /nfs/dbraw/zinc/15/15/69/1205151569.db2.gz WZQBCOVTAAIYFB-KRWDZBQOSA-N 1 2 342.424 2.375 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@]23CCN(Cc2cnoc2)C3=O)s1 ZINC001274746946 1205151571 /nfs/dbraw/zinc/15/15/71/1205151571.db2.gz WZQBCOVTAAIYFB-KRWDZBQOSA-N 1 2 342.424 2.375 20 30 EEEDLO N#Cc1cccc(C[NH+]2CC3(CN(C(=O)Nc4cccnc4)C3)C2)c1 ZINC001275290476 1205299624 /nfs/dbraw/zinc/29/96/24/1205299624.db2.gz NWUKVCJYKGOEFJ-UHFFFAOYSA-N 1 2 333.395 2.303 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3Cc2ccc[nH]2)c(F)c1 ZINC001275956272 1205601956 /nfs/dbraw/zinc/60/19/56/1205601956.db2.gz GLJKORKQKPWVTH-HDICACEKSA-N 1 2 340.402 2.111 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3Cc2ccc[nH]2)c(F)c1 ZINC001275956272 1205601957 /nfs/dbraw/zinc/60/19/57/1205601957.db2.gz GLJKORKQKPWVTH-HDICACEKSA-N 1 2 340.402 2.111 20 30 EEEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C1CCCC1 ZINC001276087464 1205771040 /nfs/dbraw/zinc/77/10/40/1205771040.db2.gz VLAHEABWAHHWEU-KDURUIRLSA-N 1 2 341.455 2.394 20 30 EEEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H]2COC[C@H](C1)N2C1CCCC1 ZINC001276087464 1205771041 /nfs/dbraw/zinc/77/10/41/1205771041.db2.gz VLAHEABWAHHWEU-KDURUIRLSA-N 1 2 341.455 2.394 20 30 EEEDLO COc1cc(C#N)ccc1CN1C[C@@H]2COC[C@H](C1)[N@@H+]2C1CCCC1 ZINC001276087464 1205771042 /nfs/dbraw/zinc/77/10/42/1205771042.db2.gz VLAHEABWAHHWEU-KDURUIRLSA-N 1 2 341.455 2.394 20 30 EEEDLO COc1cc(C#N)ccc1CN1C[C@@H]2COC[C@H](C1)[N@H+]2C1CCCC1 ZINC001276087464 1205771043 /nfs/dbraw/zinc/77/10/43/1205771043.db2.gz VLAHEABWAHHWEU-KDURUIRLSA-N 1 2 341.455 2.394 20 30 EEEDLO Cc1nnccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095695900 1205917619 /nfs/dbraw/zinc/91/76/19/1205917619.db2.gz MWLHYKBBNJKKCF-NEWSRXKRSA-N 1 2 347.422 2.192 20 30 EEEDLO Cc1nnccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095695900 1205917621 /nfs/dbraw/zinc/91/76/21/1205917621.db2.gz MWLHYKBBNJKKCF-NEWSRXKRSA-N 1 2 347.422 2.192 20 30 EEEDLO N#C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000932161359 1207550466 /nfs/dbraw/zinc/55/04/66/1207550466.db2.gz MOBRCMXUMDFFSL-OCCSQVGLSA-N 1 2 339.233 2.424 20 30 EEEDLO N#C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000932161359 1207550469 /nfs/dbraw/zinc/55/04/69/1207550469.db2.gz MOBRCMXUMDFFSL-OCCSQVGLSA-N 1 2 339.233 2.424 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001111251800 1208456624 /nfs/dbraw/zinc/45/66/24/1208456624.db2.gz TVKLEKGKSLAGCH-HIFRSBDPSA-N 1 2 346.479 2.109 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nccs3)[C@@H](C)C2)cn1 ZINC000947949503 1208790367 /nfs/dbraw/zinc/79/03/67/1208790367.db2.gz WNIQFCKAFVDOEU-BBRMVZONSA-N 1 2 340.452 2.302 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nccs3)[C@@H](C)C2)cn1 ZINC000947949503 1208790369 /nfs/dbraw/zinc/79/03/69/1208790369.db2.gz WNIQFCKAFVDOEU-BBRMVZONSA-N 1 2 340.452 2.302 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)c3cc(F)c[nH]3)C2)ccc1F ZINC001015316970 1225094653 /nfs/dbraw/zinc/09/46/53/1225094653.db2.gz ICMPBGCPOAJLHZ-CQSZACIVSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(F)c[nH]3)C2)ccc1F ZINC001015316970 1225094661 /nfs/dbraw/zinc/09/46/61/1225094661.db2.gz ICMPBGCPOAJLHZ-CQSZACIVSA-N 1 2 330.338 2.169 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2CC)C1 ZINC000948522874 1209195252 /nfs/dbraw/zinc/19/52/52/1209195252.db2.gz RVOTZSBLLVKWEN-GJZGRUSLSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnns1 ZINC000948893899 1209441356 /nfs/dbraw/zinc/44/13/56/1209441356.db2.gz GBDVJNRNRADZAA-OAHLLOKOSA-N 1 2 328.441 2.443 20 30 EEEDLO C=C(C)C[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnns1 ZINC000948893899 1209441358 /nfs/dbraw/zinc/44/13/58/1209441358.db2.gz GBDVJNRNRADZAA-OAHLLOKOSA-N 1 2 328.441 2.443 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cn(C)nc1Cl ZINC000948978949 1209485931 /nfs/dbraw/zinc/48/59/31/1209485931.db2.gz PRUWWNVXUUPLDA-INIZCTEOSA-N 1 2 342.830 2.036 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cn(C)nc1Cl ZINC000948978949 1209485933 /nfs/dbraw/zinc/48/59/33/1209485933.db2.gz PRUWWNVXUUPLDA-INIZCTEOSA-N 1 2 342.830 2.036 20 30 EEEDLO C=CCC[NH+]1CCC2(CC1)CN(C(=O)C(F)C(F)(F)F)CCO2 ZINC000949095828 1209533858 /nfs/dbraw/zinc/53/38/58/1209533858.db2.gz XOYKIBJPERJYEF-LBPRGKRZSA-N 1 2 338.345 2.156 20 30 EEEDLO C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H](F)C(F)(F)F)CCO2 ZINC000949095828 1209533860 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ZINC000968633296 1221450730 /nfs/dbraw/zinc/45/07/30/1221450730.db2.gz WKAMEALGLYWPIE-BMIGLBTASA-N 1 2 333.823 2.151 20 30 EEEDLO Cc1cc(C[N@@H+]2CCCCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)no1 ZINC000968803277 1221582811 /nfs/dbraw/zinc/58/28/11/1221582811.db2.gz HRIGQBCYJMPQFV-INIZCTEOSA-N 1 2 341.415 2.357 20 30 EEEDLO Cc1cc(C[N@H+]2CCCCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)no1 ZINC000968803277 1221582813 /nfs/dbraw/zinc/58/28/13/1221582813.db2.gz HRIGQBCYJMPQFV-INIZCTEOSA-N 1 2 341.415 2.357 20 30 EEEDLO Cc1cnc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)cn1 ZINC001006636089 1221873499 /nfs/dbraw/zinc/87/34/99/1221873499.db2.gz VZFVPEYSDUMAGU-QGZVFWFLSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1cnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)cn1 ZINC001006636089 1221873501 /nfs/dbraw/zinc/87/35/01/1221873501.db2.gz VZFVPEYSDUMAGU-QGZVFWFLSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)no1 ZINC001006649034 1221878913 /nfs/dbraw/zinc/87/89/13/1221878913.db2.gz 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CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001008007233 1222561355 /nfs/dbraw/zinc/56/13/55/1222561355.db2.gz AYUMLBSSUQNTNP-OTWHNJEPSA-N 1 2 341.455 2.454 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001008007233 1222561357 /nfs/dbraw/zinc/56/13/57/1222561357.db2.gz AYUMLBSSUQNTNP-OTWHNJEPSA-N 1 2 341.455 2.454 20 30 EEEDLO COc1nc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)co1 ZINC001008069450 1222602745 /nfs/dbraw/zinc/60/27/45/1222602745.db2.gz KKKWTTQTQFZUFZ-NSHDSACASA-N 1 2 346.412 2.011 20 30 EEEDLO COc1nc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)co1 ZINC001008069450 1222602748 /nfs/dbraw/zinc/60/27/48/1222602748.db2.gz KKKWTTQTQFZUFZ-NSHDSACASA-N 1 2 346.412 2.011 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnc(C)cn3)C2)cc1 ZINC001008147249 1222651908 /nfs/dbraw/zinc/65/19/08/1222651908.db2.gz JBXLYKGOXBBVTJ-GOSISDBHSA-N 1 2 334.423 2.161 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnc(C)cn3)C2)cc1 ZINC001008147249 1222651910 /nfs/dbraw/zinc/65/19/10/1222651910.db2.gz JBXLYKGOXBBVTJ-GOSISDBHSA-N 1 2 334.423 2.161 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2c(C)cc(C)[nH]c2=O)C1 ZINC001008273889 1222728010 /nfs/dbraw/zinc/72/80/10/1222728010.db2.gz BHJILCKQNAIMBX-AWEZNQCLSA-N 1 2 337.851 2.280 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2c(C)cc(C)[nH]c2=O)C1 ZINC001008273889 1222728013 /nfs/dbraw/zinc/72/80/13/1222728013.db2.gz BHJILCKQNAIMBX-AWEZNQCLSA-N 1 2 337.851 2.280 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001008573820 1222936777 /nfs/dbraw/zinc/93/67/77/1222936777.db2.gz GDPZVNSSPKXOHG-SKDZVZGDSA-N 1 2 345.418 2.203 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001008573820 1222936779 /nfs/dbraw/zinc/93/67/79/1222936779.db2.gz GDPZVNSSPKXOHG-SKDZVZGDSA-N 1 2 345.418 2.203 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)ns1 ZINC001010772710 1223900416 /nfs/dbraw/zinc/90/04/16/1223900416.db2.gz JIYDIEUIGNRCBI-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)ns1 ZINC001010772710 1223900418 /nfs/dbraw/zinc/90/04/18/1223900418.db2.gz JIYDIEUIGNRCBI-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[C@@H]3C(F)F)C2)c(F)c1 ZINC001010843611 1223934558 /nfs/dbraw/zinc/93/45/58/1223934558.db2.gz XECUGZPPHXUMLO-IHRRRGAJSA-N 1 2 337.345 2.289 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@@H]3C(F)F)C2)c(F)c1 ZINC001010843611 1223934560 /nfs/dbraw/zinc/93/45/60/1223934560.db2.gz XECUGZPPHXUMLO-IHRRRGAJSA-N 1 2 337.345 2.289 20 30 EEEDLO CN(C)c1ncccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016254670 1226257904 /nfs/dbraw/zinc/25/79/04/1226257904.db2.gz XJYQSNSYTHAKBT-KRWDZBQOSA-N 1 2 349.438 2.024 20 30 EEEDLO CN(C)c1ncccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016254670 1226257910 /nfs/dbraw/zinc/25/79/10/1226257910.db2.gz XJYQSNSYTHAKBT-KRWDZBQOSA-N 1 2 349.438 2.024 20 30 EEEDLO N#Cc1cccnc1N1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001058266674 1248779140 /nfs/dbraw/zinc/77/91/40/1248779140.db2.gz BKDSDROTTILIJJ-HNNXBMFYSA-N 1 2 346.394 2.228 20 30 EEEDLO Cc1nn(C(C)C)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC001017418672 1227405033 /nfs/dbraw/zinc/40/50/33/1227405033.db2.gz NRWJMQXQQWTRQB-RRQGHBQHSA-N 1 2 329.448 2.107 20 30 EEEDLO Cc1nn(C(C)C)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC001017418672 1227405036 /nfs/dbraw/zinc/40/50/36/1227405036.db2.gz NRWJMQXQQWTRQB-RRQGHBQHSA-N 1 2 329.448 2.107 20 30 EEEDLO CCc1onc(C)c1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017542148 1227504742 /nfs/dbraw/zinc/50/47/42/1227504742.db2.gz VPSDMEZUHBJHQC-IYBDPMFKSA-N 1 2 327.428 2.134 20 30 EEEDLO CCc1onc(C)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017542148 1227504745 /nfs/dbraw/zinc/50/47/45/1227504745.db2.gz VPSDMEZUHBJHQC-IYBDPMFKSA-N 1 2 327.428 2.134 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C(C)C)c1Cl ZINC001017775347 1227718950 /nfs/dbraw/zinc/71/89/50/1227718950.db2.gz SAGVAKISELCHHJ-OKILXGFUSA-N 1 2 334.851 2.430 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C(C)C)c1Cl ZINC001017775347 1227718953 /nfs/dbraw/zinc/71/89/53/1227718953.db2.gz SAGVAKISELCHHJ-OKILXGFUSA-N 1 2 334.851 2.430 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@H]2C)C1 ZINC001020290853 1229608055 /nfs/dbraw/zinc/60/80/55/1229608055.db2.gz YLTTTYSAVFEBTI-DZKIICNBSA-N 1 2 344.459 2.050 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@H]2C)C1 ZINC001020290853 1229608058 /nfs/dbraw/zinc/60/80/58/1229608058.db2.gz YLTTTYSAVFEBTI-DZKIICNBSA-N 1 2 344.459 2.050 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnc3cc[nH]c3c2)c1 ZINC001038386417 1229784996 /nfs/dbraw/zinc/78/49/96/1229784996.db2.gz NNCVTACYAUFYLR-KRWDZBQOSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnc3cc[nH]c3c2)c1 ZINC001038386417 1229784998 /nfs/dbraw/zinc/78/49/98/1229784998.db2.gz NNCVTACYAUFYLR-KRWDZBQOSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cnc3n2CCCC3)c1 ZINC001038625552 1229943631 /nfs/dbraw/zinc/94/36/31/1229943631.db2.gz WSWUPTSKGKYTJA-QGZVFWFLSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cnc3n2CCCC3)c1 ZINC001038625552 1229943635 /nfs/dbraw/zinc/94/36/35/1229943635.db2.gz WSWUPTSKGKYTJA-QGZVFWFLSA-N 1 2 349.438 2.095 20 30 EEEDLO CC(C)c1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)[nH]n1 ZINC001038717245 1229994118 /nfs/dbraw/zinc/99/41/18/1229994118.db2.gz NAGCWLOAYVJAMY-MRXNPFEDSA-N 1 2 337.427 2.409 20 30 EEEDLO CC(C)c1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)[nH]n1 ZINC001038717245 1229994121 /nfs/dbraw/zinc/99/41/21/1229994121.db2.gz NAGCWLOAYVJAMY-MRXNPFEDSA-N 1 2 337.427 2.409 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038809212 1230072085 /nfs/dbraw/zinc/07/20/85/1230072085.db2.gz YAJGZBZSVVJNBK-AABGKKOBSA-N 1 2 338.451 2.210 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038809212 1230072090 /nfs/dbraw/zinc/07/20/90/1230072090.db2.gz YAJGZBZSVVJNBK-AABGKKOBSA-N 1 2 338.451 2.210 20 30 EEEDLO CCc1c[nH]c(=O)c(C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)c1 ZINC001038867389 1230121604 /nfs/dbraw/zinc/12/16/04/1230121604.db2.gz KHSGFNOWIDUBQI-GOSISDBHSA-N 1 2 349.434 2.205 20 30 EEEDLO CCc1c[nH]c(=O)c(C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)c1 ZINC001038867389 1230121607 /nfs/dbraw/zinc/12/16/07/1230121607.db2.gz KHSGFNOWIDUBQI-GOSISDBHSA-N 1 2 349.434 2.205 20 30 EEEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn2cc(C)nc2s1 ZINC001039386248 1230570494 /nfs/dbraw/zinc/57/04/94/1230570494.db2.gz FTNAWKAVTIAMFD-KGLIPLIRSA-N 1 2 328.441 2.016 20 30 EEEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn2cc(C)nc2s1 ZINC001039386248 1230570498 /nfs/dbraw/zinc/57/04/98/1230570498.db2.gz FTNAWKAVTIAMFD-KGLIPLIRSA-N 1 2 328.441 2.016 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H](C)[C@H](CNc3cc[nH+]c(C)n3)C2)nc1 ZINC001039875154 1230876934 /nfs/dbraw/zinc/87/69/34/1230876934.db2.gz KVNKIONTFKOEST-WMLDXEAASA-N 1 2 349.438 2.372 20 30 EEEDLO Cc1nnc([C@H](C)[N@@H+]2CC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)s1 ZINC001041274013 1231491630 /nfs/dbraw/zinc/49/16/30/1231491630.db2.gz SAMVOGUGPLSJGX-UGSOOPFHSA-N 1 2 344.484 2.245 20 30 EEEDLO Cc1nnc([C@H](C)[N@H+]2CC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)s1 ZINC001041274013 1231491633 /nfs/dbraw/zinc/49/16/33/1231491633.db2.gz SAMVOGUGPLSJGX-UGSOOPFHSA-N 1 2 344.484 2.245 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3cnn(CC)n3)C2)C1 ZINC001041537044 1231586888 /nfs/dbraw/zinc/58/68/88/1231586888.db2.gz UBKMPGFAMUDIKJ-LJQANCHMSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](Cc3cnn(CC)n3)C2)C1 ZINC001041537044 1231586891 /nfs/dbraw/zinc/58/68/91/1231586891.db2.gz UBKMPGFAMUDIKJ-LJQANCHMSA-N 1 2 345.491 2.325 20 30 EEEDLO Cc1nc(N[C@@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C23CCC3)cc[nH+]1 ZINC001041573090 1231602676 /nfs/dbraw/zinc/60/26/76/1231602676.db2.gz FTMUGWPUHGJCMD-HUUCEWRRSA-N 1 2 336.399 2.138 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](Cc4ncccn4)[C@H]3C2)cc1 ZINC001042180778 1231940486 /nfs/dbraw/zinc/94/04/86/1231940486.db2.gz YAYOMWOKWBBHAW-MJGOQNOKSA-N 1 2 346.434 2.195 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ncccn4)[C@H]3C2)cc1 ZINC001042180778 1231940488 /nfs/dbraw/zinc/94/04/88/1231940488.db2.gz YAYOMWOKWBBHAW-MJGOQNOKSA-N 1 2 346.434 2.195 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3cn(C(C)C)nn3)[C@@H]2C1 ZINC001042188102 1231945480 /nfs/dbraw/zinc/94/54/80/1231945480.db2.gz PXILRNGSLGBGQE-DOTOQJQBSA-N 1 2 345.491 2.494 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3cn(C(C)C)nn3)[C@@H]2C1 ZINC001042188102 1231945482 /nfs/dbraw/zinc/94/54/82/1231945482.db2.gz PXILRNGSLGBGQE-DOTOQJQBSA-N 1 2 345.491 2.494 20 30 EEEDLO COc1cccc([C@@H](C)[NH+]2CC(N(C)C(=O)c3cc(C#N)c[nH]3)C2)c1 ZINC001042590061 1232113786 /nfs/dbraw/zinc/11/37/86/1232113786.db2.gz SJPBBDCRFSPZCW-CYBMUJFWSA-N 1 2 338.411 2.412 20 30 EEEDLO Cc1nc(N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2ccccc2)cc[nH+]1 ZINC001042702681 1232142033 /nfs/dbraw/zinc/14/20/33/1232142033.db2.gz BHVDOERQPIQFJK-RRQGHBQHSA-N 1 2 335.411 2.351 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](Cc2ccc(OC)cc2)C1 ZINC001044038712 1232683082 /nfs/dbraw/zinc/68/30/82/1232683082.db2.gz GAJWTTYIUABBQX-OALUTQOASA-N 1 2 344.455 2.319 20 30 EEEDLO Cc1c(Cl)cccc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046031035 1234347009 /nfs/dbraw/zinc/34/70/09/1234347009.db2.gz IQKZANYPUBXSNB-HNNXBMFYSA-N 1 2 346.862 2.004 20 30 EEEDLO Cc1ocnc1C(=O)N[C@]1(C)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046175052 1234516233 /nfs/dbraw/zinc/51/62/33/1234516233.db2.gz BAKXBURCVSCHQY-LJQANCHMSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1ocnc1C(=O)N[C@]1(C)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046175052 1234516234 /nfs/dbraw/zinc/51/62/34/1234516234.db2.gz BAKXBURCVSCHQY-LJQANCHMSA-N 1 2 341.386 2.368 20 30 EEEDLO C[C@@]1(NC(=O)C2=COCCC2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046180786 1234521633 /nfs/dbraw/zinc/52/16/33/1234521633.db2.gz AJCZPLNVNCJLKW-LJQANCHMSA-N 1 2 343.402 2.472 20 30 EEEDLO C[C@@]1(NC(=O)C2=COCCC2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046180786 1234521637 /nfs/dbraw/zinc/52/16/37/1234521637.db2.gz AJCZPLNVNCJLKW-LJQANCHMSA-N 1 2 343.402 2.472 20 30 EEEDLO Cc1ncc(C(=O)N[C@]2(C)CC[N@H+](Cc3cc(C#N)ccc3F)C2)[nH]1 ZINC001046195444 1234541379 /nfs/dbraw/zinc/54/13/79/1234541379.db2.gz NAQORSITHQHKMO-GOSISDBHSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1ncc(C(=O)N[C@]2(C)CC[N@@H+](Cc3cc(C#N)ccc3F)C2)[nH]1 ZINC001046195444 1234541381 /nfs/dbraw/zinc/54/13/81/1234541381.db2.gz NAQORSITHQHKMO-GOSISDBHSA-N 1 2 341.390 2.123 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001046373692 1234722742 /nfs/dbraw/zinc/72/27/42/1234722742.db2.gz GFUCRFCANBNQJW-GOSISDBHSA-N 1 2 328.416 2.365 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@H+](Cc2ncc(C)o2)C1 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EEEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)COC(C)C)CC1 ZINC001159474842 1319825565 /nfs/dbraw/zinc/82/55/65/1319825565.db2.gz MEGREUBWNQEKTF-UHFFFAOYSA-N 1 2 345.281 2.458 20 30 EEEDLO C#CCCCC(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001159964410 1320034888 /nfs/dbraw/zinc/03/48/88/1320034888.db2.gz KNXNOFSNQZBDHM-AWEZNQCLSA-N 1 2 330.432 2.381 20 30 EEEDLO C#CCCCC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001159964410 1320034894 /nfs/dbraw/zinc/03/48/94/1320034894.db2.gz KNXNOFSNQZBDHM-AWEZNQCLSA-N 1 2 330.432 2.381 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC1=CC[N@H+](Cc2cc(C)on2)CC1 ZINC001161278332 1320443162 /nfs/dbraw/zinc/44/31/62/1320443162.db2.gz MLWDOAGHHVEELO-MSOLQXFVSA-N 1 2 345.443 2.213 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC1=CC[N@@H+](Cc2cc(C)on2)CC1 ZINC001161278332 1320443163 /nfs/dbraw/zinc/44/31/63/1320443163.db2.gz MLWDOAGHHVEELO-MSOLQXFVSA-N 1 2 345.443 2.213 20 30 EEEDLO C=CCCC(=O)N1CCC(c2nnc3n2CC[N@@H+](CC(=C)C)C3)CC1 ZINC001162633798 1320917891 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1377760897 /nfs/dbraw/zinc/76/08/97/1377760897.db2.gz WLKFIWCZLBJWPU-GOSISDBHSA-N 1 2 341.455 2.408 20 30 EEEDLO CCOCC1(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001375464847 1377760904 /nfs/dbraw/zinc/76/09/04/1377760904.db2.gz WLKFIWCZLBJWPU-GOSISDBHSA-N 1 2 341.455 2.408 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C[C@H]1NC(=O)c2ccccc21 ZINC001377350698 1379158936 /nfs/dbraw/zinc/15/89/36/1379158936.db2.gz ZJKFHXQUOLTGKC-OAHLLOKOSA-N 1 2 335.835 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C[C@H]1NC(=O)c2ccccc21 ZINC001377350698 1379158938 /nfs/dbraw/zinc/15/89/38/1379158938.db2.gz ZJKFHXQUOLTGKC-OAHLLOKOSA-N 1 2 335.835 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1c(OC)cccc1OC ZINC001381553510 1381649560 /nfs/dbraw/zinc/64/95/60/1381649560.db2.gz REGWTQSZZGURPU-CYBMUJFWSA-N 1 2 340.851 2.435 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1c(OC)cccc1OC ZINC001381553510 1381649562 /nfs/dbraw/zinc/64/95/62/1381649562.db2.gz REGWTQSZZGURPU-CYBMUJFWSA-N 1 2 340.851 2.435 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnn(-c2ccccc2)n1 ZINC001381624521 1381697135 /nfs/dbraw/zinc/69/71/35/1381697135.db2.gz LJTWDWSINLDLPP-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnn(-c2ccccc2)n1 ZINC001381624521 1381697139 /nfs/dbraw/zinc/69/71/39/1381697139.db2.gz LJTWDWSINLDLPP-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO CC[N@H+](CCNC(=O)C(F)C(F)(F)F)Cc1ccc(C#N)cc1 ZINC001390911656 1388870199 /nfs/dbraw/zinc/87/01/99/1388870199.db2.gz ZOOKVEIHAFYHFR-ZDUSSCGKSA-N 1 2 331.313 2.397 20 30 EEEDLO CC[N@@H+](CCNC(=O)C(F)C(F)(F)F)Cc1ccc(C#N)cc1 ZINC001390911656 1388870202 /nfs/dbraw/zinc/87/02/02/1388870202.db2.gz ZOOKVEIHAFYHFR-ZDUSSCGKSA-N 1 2 331.313 2.397 20 30 EEEDLO CC[N@H+](CCNC(=O)[C@H](F)C(F)(F)F)Cc1ccc(C#N)cc1 ZINC001390911656 1388870205 /nfs/dbraw/zinc/87/02/05/1388870205.db2.gz ZOOKVEIHAFYHFR-ZDUSSCGKSA-N 1 2 331.313 2.397 20 30 EEEDLO CC[N@@H+](CCNC(=O)[C@H](F)C(F)(F)F)Cc1ccc(C#N)cc1 ZINC001390911656 1388870208 /nfs/dbraw/zinc/87/02/08/1388870208.db2.gz ZOOKVEIHAFYHFR-ZDUSSCGKSA-N 1 2 331.313 2.397 20 30 EEEDLO C=CC(C)(C)C(=O)NCCC[N@H+](Cc1nnc2n1CCCC2)C1CC1 ZINC001752267659 1406251836 /nfs/dbraw/zinc/25/18/36/1406251836.db2.gz QWUPMAGPOZOCAK-UHFFFAOYSA-N 1 2 345.491 2.297 20 30 EEEDLO C=CC(C)(C)C(=O)NCCC[N@@H+](Cc1nnc2n1CCCC2)C1CC1 ZINC001752267659 1406251841 /nfs/dbraw/zinc/25/18/41/1406251841.db2.gz QWUPMAGPOZOCAK-UHFFFAOYSA-N 1 2 345.491 2.297 20 30 EEEDLO C#CCCCC(=O)N(C)C1CC[NH+](Cc2nnc(C)n2C2CC2)CC1 ZINC001752300323 1406270025 /nfs/dbraw/zinc/27/00/25/1406270025.db2.gz ZNNWLRHAQFGCMU-UHFFFAOYSA-N 1 2 343.475 2.148 20 30 EEEDLO CC(C)C#CC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC001752781365 1406395997 /nfs/dbraw/zinc/39/59/97/1406395997.db2.gz PXEQMLPNOJFCDL-HUUCEWRRSA-N 1 2 344.459 2.496 20 30 EEEDLO CC(C)C#CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC001752781365 1406396009 /nfs/dbraw/zinc/39/60/09/1406396009.db2.gz PXEQMLPNOJFCDL-HUUCEWRRSA-N 1 2 344.459 2.496 20 30 EEEDLO CN(CC[N@H+](C)Cc1cccc(C#N)c1)C(=O)C(F)C(F)(F)F ZINC001392281742 1389948780 /nfs/dbraw/zinc/94/87/80/1389948780.db2.gz ZSODAXKOZOJFOU-CYBMUJFWSA-N 1 2 331.313 2.349 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)C(F)C(F)(F)F ZINC001392281742 1389948782 /nfs/dbraw/zinc/94/87/82/1389948782.db2.gz ZSODAXKOZOJFOU-CYBMUJFWSA-N 1 2 331.313 2.349 20 30 EEEDLO CN(CC[N@H+](C)Cc1cccc(C#N)c1)C(=O)[C@@H](F)C(F)(F)F ZINC001392281742 1389948786 /nfs/dbraw/zinc/94/87/86/1389948786.db2.gz ZSODAXKOZOJFOU-CYBMUJFWSA-N 1 2 331.313 2.349 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)[C@@H](F)C(F)(F)F ZINC001392281742 1389948789 /nfs/dbraw/zinc/94/87/89/1389948789.db2.gz ZSODAXKOZOJFOU-CYBMUJFWSA-N 1 2 331.313 2.349 20 30 EEEDLO CCCCc1noc(C[NH+]2CCC(C)(CNC(=O)[C@H](C)C#N)CC2)n1 ZINC001393170683 1390352866 /nfs/dbraw/zinc/35/28/66/1390352866.db2.gz IZTJMBULSIRRLS-CQSZACIVSA-N 1 2 347.463 2.290 20 30 EEEDLO C#CCCCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001753435331 1406741346 /nfs/dbraw/zinc/74/13/46/1406741346.db2.gz QKPKVMLFOIHAOM-LJQANCHMSA-N 1 2 342.487 2.446 20 30 EEEDLO C#CCCCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001753435331 1406741351 /nfs/dbraw/zinc/74/13/51/1406741351.db2.gz QKPKVMLFOIHAOM-LJQANCHMSA-N 1 2 342.487 2.446 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001400160193 1395994096 /nfs/dbraw/zinc/99/40/96/1395994096.db2.gz LSDIYPWDGYUTGG-CYBMUJFWSA-N 1 2 336.867 2.483 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001400160193 1395994101 /nfs/dbraw/zinc/99/41/01/1395994101.db2.gz LSDIYPWDGYUTGG-CYBMUJFWSA-N 1 2 336.867 2.483 20 30 EEEDLO COCC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC001400293983 1396147549 /nfs/dbraw/zinc/14/75/49/1396147549.db2.gz WSERRSYIQPEFOT-INIZCTEOSA-N 1 2 345.418 2.205 20 30 EEEDLO COCC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC001400293983 1396147559 /nfs/dbraw/zinc/14/75/59/1396147559.db2.gz WSERRSYIQPEFOT-INIZCTEOSA-N 1 2 345.418 2.205 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001402134760 1397785751 /nfs/dbraw/zinc/78/57/51/1397785751.db2.gz LAVLWZQXXRZOJI-OAHLLOKOSA-N 1 2 345.274 2.486 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001402134760 1397785753 /nfs/dbraw/zinc/78/57/53/1397785753.db2.gz LAVLWZQXXRZOJI-OAHLLOKOSA-N 1 2 345.274 2.486 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2cc3ccccc3o2)C1 ZINC001402293464 1397918256 /nfs/dbraw/zinc/91/82/56/1397918256.db2.gz PVFPXPUOSLXJET-KRWDZBQOSA-N 1 2 334.803 2.352 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2cc3ccccc3o2)C1 ZINC001402293464 1397918258 /nfs/dbraw/zinc/91/82/58/1397918258.db2.gz PVFPXPUOSLXJET-KRWDZBQOSA-N 1 2 334.803 2.352 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC(C)C)NC(C)=O ZINC001402738496 1398165292 /nfs/dbraw/zinc/16/52/92/1398165292.db2.gz SJFUSJYJOUBXPJ-JKSUJKDBSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC(C)C)NC(C)=O ZINC001402738496 1398165295 /nfs/dbraw/zinc/16/52/95/1398165295.db2.gz SJFUSJYJOUBXPJ-JKSUJKDBSA-N 1 2 343.899 2.260 20 30 EEEDLO C#CCN(C(=O)c1cccc2n[nH]cc21)C1CC[NH+](CC#CC)CC1 ZINC001754639622 1406936944 /nfs/dbraw/zinc/93/69/44/1406936944.db2.gz PWJKXGXALHRKQD-UHFFFAOYSA-N 1 2 334.423 2.126 20 30 EEEDLO C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)Cc2cccc(C)c2)CCO1 ZINC001755012019 1407031901 /nfs/dbraw/zinc/03/19/01/1407031901.db2.gz GEGKWPSLRUDXCV-RTBURBONSA-N 1 2 328.456 2.014 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cn(C(C)(C)C)nn2)CC1 ZINC001755023549 1407042928 /nfs/dbraw/zinc/04/29/28/1407042928.db2.gz JRECJIJTJFRLHY-MRXNPFEDSA-N 1 2 345.491 2.307 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cn(C(C)(C)C)nn2)CC1 ZINC001755023549 1407042934 /nfs/dbraw/zinc/04/29/34/1407042934.db2.gz JRECJIJTJFRLHY-MRXNPFEDSA-N 1 2 345.491 2.307 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)COCC2CC2)C1 ZINC001403282674 1399731784 /nfs/dbraw/zinc/73/17/84/1399731784.db2.gz ZAGVFYYWTJIEPO-CQSZACIVSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)COCC2CC2)C1 ZINC001403282674 1399731789 /nfs/dbraw/zinc/73/17/89/1399731789.db2.gz ZAGVFYYWTJIEPO-CQSZACIVSA-N 1 2 345.281 2.244 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)COCc1ccc(C)cc1)O2 ZINC001755054079 1407060439 /nfs/dbraw/zinc/06/04/39/1407060439.db2.gz HHLWFPGZHJQLTG-GOSISDBHSA-N 1 2 344.455 2.047 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2noc3c2COCC3)CC1(C)C ZINC001755138836 1407148845 /nfs/dbraw/zinc/14/88/45/1407148845.db2.gz DLVGZLWOFYCZEZ-QGZVFWFLSA-N 1 2 347.459 2.430 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2noc3c2COCC3)CC1(C)C ZINC001755138836 1407148854 /nfs/dbraw/zinc/14/88/54/1407148854.db2.gz DLVGZLWOFYCZEZ-QGZVFWFLSA-N 1 2 347.459 2.430 20 30 EEEDLO COCC[N@H+](CCNC(=O)c1ccoc1)Cc1ccc(C#N)cc1F ZINC001426153935 1401916954 /nfs/dbraw/zinc/91/69/54/1401916954.db2.gz LLNWAGDHFRPQCV-UHFFFAOYSA-N 1 2 345.374 2.169 20 30 EEEDLO COCC[N@@H+](CCNC(=O)c1ccoc1)Cc1ccc(C#N)cc1F ZINC001426153935 1401916959 /nfs/dbraw/zinc/91/69/59/1401916959.db2.gz LLNWAGDHFRPQCV-UHFFFAOYSA-N 1 2 345.374 2.169 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)CCCC)c1 ZINC001755294079 1407298381 /nfs/dbraw/zinc/29/83/81/1407298381.db2.gz XTTGGTJQTBHPRS-OAHLLOKOSA-N 1 2 329.444 2.233 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)CNC(=O)CCCC)c1 ZINC001755294079 1407298389 /nfs/dbraw/zinc/29/83/89/1407298389.db2.gz XTTGGTJQTBHPRS-OAHLLOKOSA-N 1 2 329.444 2.233 20 30 EEEDLO N#Cc1c(F)cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1F ZINC001433825635 1403436890 /nfs/dbraw/zinc/43/68/90/1403436890.db2.gz JCCPEFHFELREDV-GFCCVEGCSA-N 1 2 328.322 2.240 20 30 EEEDLO COCCCCC(=O)N[C@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001755374987 1407378541 /nfs/dbraw/zinc/37/85/41/1407378541.db2.gz NZGVJRZHMSDKNA-CQSZACIVSA-N 1 2 347.434 2.451 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc3ccccc3n2C)C1 ZINC001732152219 1405930627 /nfs/dbraw/zinc/93/06/27/1405930627.db2.gz OAPUANMLSLKOQN-INIZCTEOSA-N 1 2 338.455 2.457 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1CC[N@H+](Cc2nc3ccccc3n2C)C1 ZINC001732152219 1405930634 /nfs/dbraw/zinc/93/06/34/1405930634.db2.gz OAPUANMLSLKOQN-INIZCTEOSA-N 1 2 338.455 2.457 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCCOC2CCOCC2)C1 ZINC001753447833 1406114913 /nfs/dbraw/zinc/11/49/13/1406114913.db2.gz HMPVKTFUKDGSDP-OAHLLOKOSA-N 1 2 344.883 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCCOC2CCOCC2)C1 ZINC001753447833 1406114926 /nfs/dbraw/zinc/11/49/26/1406114926.db2.gz HMPVKTFUKDGSDP-OAHLLOKOSA-N 1 2 344.883 2.247 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[N@H+](Cc2ccc(OC)nn2)CC1(C)C ZINC001755414427 1407432819 /nfs/dbraw/zinc/43/28/19/1407432819.db2.gz VYVDIEBWTLUWEG-ZBFHGGJFSA-N 1 2 346.475 2.414 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[N@@H+](Cc2ccc(OC)nn2)CC1(C)C ZINC001755414427 1407432825 /nfs/dbraw/zinc/43/28/25/1407432825.db2.gz VYVDIEBWTLUWEG-ZBFHGGJFSA-N 1 2 346.475 2.414 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)/C(C)=C\CC ZINC001755798542 1407851742 /nfs/dbraw/zinc/85/17/42/1407851742.db2.gz WKMFHHFSVKXWFN-LWMSPQMPSA-N 1 2 333.270 2.002 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@@H](O)CN(C)C(=O)/C(C)=C\CC ZINC001755798542 1407851745 /nfs/dbraw/zinc/85/17/45/1407851745.db2.gz WKMFHHFSVKXWFN-LWMSPQMPSA-N 1 2 333.270 2.002 20 30 EEEDLO CC#CC[NH2+]Cc1ccc(CNC(=O)c2[nH]nc3c2CCC3)c(F)c1 ZINC001755901266 1407976399 /nfs/dbraw/zinc/97/63/99/1407976399.db2.gz KZRQZGTUQDTHJU-UHFFFAOYSA-N 1 2 340.402 2.080 20 30 EEEDLO C=CCCC(=O)N(C)[C@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001756046089 1408103536 /nfs/dbraw/zinc/10/35/36/1408103536.db2.gz HQHMXVYUNBXAHL-OAHLLOKOSA-N 1 2 342.443 2.115 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCCCCN1C(=O)CCn1cc[nH+]c1 ZINC001756123918 1408156080 /nfs/dbraw/zinc/15/60/80/1408156080.db2.gz IECXWAGXWPIWLF-INIZCTEOSA-N 1 2 346.475 2.373 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCCCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001756126995 1408158896 /nfs/dbraw/zinc/15/88/96/1408158896.db2.gz JMOZKGNALHQNEX-MRXNPFEDSA-N 1 2 346.475 2.442 20 30 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20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cocn2)C(C)(C)C1 ZINC000940625677 778995728 /nfs/dbraw/zinc/99/57/28/778995728.db2.gz UPZGVEVPURGUKW-LBPRGKRZSA-N 1 2 342.237 2.414 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cocn2)C(C)(C)C1 ZINC000940625677 778995731 /nfs/dbraw/zinc/99/57/31/778995731.db2.gz UPZGVEVPURGUKW-LBPRGKRZSA-N 1 2 342.237 2.414 20 30 EEEDLO O=C(Cc1cscn1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000982095900 779083318 /nfs/dbraw/zinc/08/33/18/779083318.db2.gz MILPYEOJBWYIKR-UHFFFAOYSA-N 1 2 339.464 2.272 20 30 EEEDLO O=C(Cc1cscn1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000982095900 779083325 /nfs/dbraw/zinc/08/33/25/779083325.db2.gz MILPYEOJBWYIKR-UHFFFAOYSA-N 1 2 339.464 2.272 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001028231859 779447978 /nfs/dbraw/zinc/44/79/78/779447978.db2.gz XWYLMMMQTUWHOL-DGCLKSJQSA-N 1 2 336.867 2.481 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001028231859 779447983 /nfs/dbraw/zinc/44/79/83/779447983.db2.gz XWYLMMMQTUWHOL-DGCLKSJQSA-N 1 2 336.867 2.481 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@]2(C)C[N@@H+](Cc3nncn3C)C[C@]2(C)C1 ZINC000982428709 780105197 /nfs/dbraw/zinc/10/51/97/780105197.db2.gz KKXDWRJJEVSHKM-KDURUIRLSA-N 1 2 345.491 2.088 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@]2(C)C[N@H+](Cc3nncn3C)C[C@]2(C)C1 ZINC000982428709 780105202 /nfs/dbraw/zinc/10/52/02/780105202.db2.gz KKXDWRJJEVSHKM-KDURUIRLSA-N 1 2 345.491 2.088 20 30 EEEDLO CO[C@H]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)C1 ZINC001031937548 780236478 /nfs/dbraw/zinc/23/64/78/780236478.db2.gz YLCLYGKBKIAEIM-APWZRJJASA-N 1 2 341.455 2.311 20 30 EEEDLO CCOC(=O)c1ccc(C)cc1NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001171258725 790774342 /nfs/dbraw/zinc/77/43/42/790774342.db2.gz LSFYDSVZOFRILT-UHFFFAOYSA-N 1 2 325.368 2.308 20 30 EEEDLO CCOc1cc(NC(=[NH2+])c2ccc(C(N)=O)cc2)ccc1[N+](=O)[O-] ZINC001171258739 790774542 /nfs/dbraw/zinc/77/45/42/790774542.db2.gz MICSIUTYHWCODU-UHFFFAOYSA-N 1 2 328.328 2.129 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)[C@H](CCC)NC(=O)OC(C)(C)C)CC1 ZINC001145026487 790800552 /nfs/dbraw/zinc/80/05/52/790800552.db2.gz QETWJNQVAMUMAU-AWEZNQCLSA-N 1 2 325.453 2.010 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cc(C(F)F)n[nH]1 ZINC001031968198 780977571 /nfs/dbraw/zinc/97/75/71/780977571.db2.gz QTRAWXAMWSCBPI-UHFFFAOYSA-N 1 2 344.365 2.061 20 30 EEEDLO O=C(CC1=CCCCC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083373268 781010782 /nfs/dbraw/zinc/01/07/82/781010782.db2.gz YAIHOGHMGKBDCZ-UXHICEINSA-N 1 2 338.451 2.090 20 30 EEEDLO O=C(CC1=CCCCC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083373268 781010787 /nfs/dbraw/zinc/01/07/87/781010787.db2.gz YAIHOGHMGKBDCZ-UXHICEINSA-N 1 2 338.451 2.090 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3[nH]ccc3C)[C@@H]2C1 ZINC001075750599 781278880 /nfs/dbraw/zinc/27/88/80/781278880.db2.gz VWTKEOXWCHWLQD-QWHCGFSZSA-N 1 2 338.249 2.378 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3[nH]ccc3C)[C@@H]2C1 ZINC001075750599 781278884 /nfs/dbraw/zinc/27/88/84/781278884.db2.gz VWTKEOXWCHWLQD-QWHCGFSZSA-N 1 2 338.249 2.378 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(-c3cccc(OC)c3)no2)C1 ZINC000923594683 790875150 /nfs/dbraw/zinc/87/51/50/790875150.db2.gz NQIARIBHUCLNAX-OAHLLOKOSA-N 1 2 339.395 2.178 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(-c3cccc(OC)c3)no2)C1 ZINC000923594683 790875161 /nfs/dbraw/zinc/87/51/61/790875161.db2.gz NQIARIBHUCLNAX-OAHLLOKOSA-N 1 2 339.395 2.178 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc(C)on2)[C@H]1CC ZINC001087495179 781454569 /nfs/dbraw/zinc/45/45/69/781454569.db2.gz UBBQFMBWIISBKK-WCQYABFASA-N 1 2 342.237 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)on2)[C@H]1CC ZINC001087495179 781454576 /nfs/dbraw/zinc/45/45/76/781454576.db2.gz UBBQFMBWIISBKK-WCQYABFASA-N 1 2 342.237 2.474 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccnn3CC(F)F)[C@@H]2C1 ZINC001075790744 781582491 /nfs/dbraw/zinc/58/24/91/781582491.db2.gz CXVCKATWGPNLTF-WCQYABFASA-N 1 2 344.793 2.047 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnn3CC(F)F)[C@@H]2C1 ZINC001075790744 781582503 /nfs/dbraw/zinc/58/25/03/781582503.db2.gz CXVCKATWGPNLTF-WCQYABFASA-N 1 2 344.793 2.047 20 30 EEEDLO Cc1nc(NC[C@@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)ccc1C#N ZINC001108100702 783320337 /nfs/dbraw/zinc/32/03/37/783320337.db2.gz QSZNIEYZKZEBMH-RISCZKNCSA-N 1 2 338.415 2.022 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CCOCC)CC[C@H]1C ZINC001131874648 783378399 /nfs/dbraw/zinc/37/83/99/783378399.db2.gz BLTFWOBNSLQVQQ-CHWSQXEVSA-N 1 2 333.270 2.291 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CCOCC)CC[C@H]1C ZINC001131874648 783378411 /nfs/dbraw/zinc/37/84/11/783378411.db2.gz BLTFWOBNSLQVQQ-CHWSQXEVSA-N 1 2 333.270 2.291 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H](C)CNc2nc(C)[nH+]c3c2CCCC3)c1 ZINC001108102689 783462808 /nfs/dbraw/zinc/46/28/08/783462808.db2.gz VHNHDCZEWWSONW-CYBMUJFWSA-N 1 2 349.438 2.271 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129147489 784295311 /nfs/dbraw/zinc/29/53/11/784295311.db2.gz BSRQNCFFAFLFSL-KSZLIROESA-N 1 2 345.491 2.249 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129147489 784295316 /nfs/dbraw/zinc/29/53/16/784295316.db2.gz BSRQNCFFAFLFSL-KSZLIROESA-N 1 2 345.491 2.249 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc3ccccc3nc2C)C1 ZINC001035390627 784432931 /nfs/dbraw/zinc/43/29/31/784432931.db2.gz JHIXURYGNWPVMU-MRXNPFEDSA-N 1 2 325.412 2.160 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc3ccccc3nc2C)C1 ZINC001035390627 784432937 /nfs/dbraw/zinc/43/29/37/784432937.db2.gz JHIXURYGNWPVMU-MRXNPFEDSA-N 1 2 325.412 2.160 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2C[N@H+](CCc3ccns3)CCO2)CC1 ZINC001035496362 784634366 /nfs/dbraw/zinc/63/43/66/784634366.db2.gz PKQSAJQGNZXOQY-INIZCTEOSA-N 1 2 349.500 2.249 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2C[N@@H+](CCc3ccns3)CCO2)CC1 ZINC001035496362 784634376 /nfs/dbraw/zinc/63/43/76/784634376.db2.gz PKQSAJQGNZXOQY-INIZCTEOSA-N 1 2 349.500 2.249 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(OC)c(C)c(OC)c2)C1 ZINC001035601750 784755274 /nfs/dbraw/zinc/75/52/74/784755274.db2.gz BMOLWZOHWDHPME-MRXNPFEDSA-N 1 2 348.443 2.019 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(OC)c(C)c(OC)c2)C1 ZINC001035601750 784755276 /nfs/dbraw/zinc/75/52/76/784755276.db2.gz BMOLWZOHWDHPME-MRXNPFEDSA-N 1 2 348.443 2.019 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2OCC2CC2)C1 ZINC001035609218 784845222 /nfs/dbraw/zinc/84/52/22/784845222.db2.gz NQKFIDFPIZPJRH-MRXNPFEDSA-N 1 2 330.428 2.092 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccccc2OCC2CC2)C1 ZINC001035609218 784845233 /nfs/dbraw/zinc/84/52/33/784845233.db2.gz NQKFIDFPIZPJRH-MRXNPFEDSA-N 1 2 330.428 2.092 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2c(CC)oc3ccccc32)C1 ZINC001035617384 784857212 /nfs/dbraw/zinc/85/72/12/784857212.db2.gz UPKYCESKTNDJIK-OAHLLOKOSA-N 1 2 340.423 2.449 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2c(CC)oc3ccccc32)C1 ZINC001035617384 784857218 /nfs/dbraw/zinc/85/72/18/784857218.db2.gz UPKYCESKTNDJIK-OAHLLOKOSA-N 1 2 340.423 2.449 20 30 EEEDLO CC#CC[NH+]1CC2(C1)CCN(C(=O)c1cccc3[nH]c(C)nc31)CC2 ZINC001035828953 785237953 /nfs/dbraw/zinc/23/79/53/785237953.db2.gz AGLVJMVHJVTDGQ-UHFFFAOYSA-N 1 2 336.439 2.433 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCO[C@@H](C)C1)CC2 ZINC001035829183 785241330 /nfs/dbraw/zinc/24/13/30/785241330.db2.gz PIFJRTZIVQBYAA-GJZGRUSLSA-N 1 2 326.868 2.478 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)c(F)c2F)[C@H](O)C1 ZINC001090529068 785649881 /nfs/dbraw/zinc/64/98/81/785649881.db2.gz PBKKEGHAGDDJFC-VXGBXAGGSA-N 1 2 348.752 2.021 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)c(F)c2F)[C@H](O)C1 ZINC001090529068 785649886 /nfs/dbraw/zinc/64/98/86/785649886.db2.gz PBKKEGHAGDDJFC-VXGBXAGGSA-N 1 2 348.752 2.021 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCc3[nH]ncc32)CC1(C)C ZINC000995794954 785683929 /nfs/dbraw/zinc/68/39/29/785683929.db2.gz GLOBSWBCRZRLFI-DOMZBBRYSA-N 1 2 336.867 2.409 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)c3ccsc3)nn2)C1 ZINC001107211263 786411799 /nfs/dbraw/zinc/41/17/99/786411799.db2.gz OIMILBAONAAVSS-ZDUSSCGKSA-N 1 2 345.472 2.192 20 30 EEEDLO C=C(Br)C[NH2+]C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000996618421 786840209 /nfs/dbraw/zinc/84/02/09/786840209.db2.gz FPIVFRONTAUYNP-VIFPVBQESA-N 1 2 347.150 2.376 20 30 EEEDLO C=C(Br)C[NH2+]C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000996618421 786840213 /nfs/dbraw/zinc/84/02/13/786840213.db2.gz FPIVFRONTAUYNP-VIFPVBQESA-N 1 2 347.150 2.376 20 30 EEEDLO Cc1ccc(C#N)c(NC/C=C/CNC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC001107545726 787570017 /nfs/dbraw/zinc/57/00/17/787570017.db2.gz LMYDZIDMJUMOHW-BWPKMQGJSA-N 1 2 338.415 2.194 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001062237664 787695642 /nfs/dbraw/zinc/69/56/42/787695642.db2.gz WXVBQJSLSHRANF-MRXNPFEDSA-N 1 2 346.475 2.373 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001062292517 787800085 /nfs/dbraw/zinc/80/00/85/787800085.db2.gz FDHPQKTWBHWDML-BEFAXECRSA-N 1 2 346.475 2.360 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001060772450 787880510 /nfs/dbraw/zinc/88/05/10/787880510.db2.gz FISJROFGBYUOBD-SHTZXODSSA-N 1 2 346.475 2.346 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(F)F)o2)[C@@H](O)C1 ZINC001090770932 788194719 /nfs/dbraw/zinc/19/47/19/788194719.db2.gz MFLPWLFHABYBCP-UWVGGRQHSA-N 1 2 334.750 2.135 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(F)F)o2)[C@@H](O)C1 ZINC001090770932 788194725 /nfs/dbraw/zinc/19/47/25/788194725.db2.gz MFLPWLFHABYBCP-UWVGGRQHSA-N 1 2 334.750 2.135 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCCC3)[C@H](O)C1 ZINC001090785172 788254737 /nfs/dbraw/zinc/25/47/37/788254737.db2.gz XTZDVXZYLWBFGH-ZWKOTPCHSA-N 1 2 348.874 2.483 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCCC3)[C@H](O)C1 ZINC001090785172 788254740 /nfs/dbraw/zinc/25/47/40/788254740.db2.gz XTZDVXZYLWBFGH-ZWKOTPCHSA-N 1 2 348.874 2.483 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2csc(-c3ccco3)n2)C1 ZINC001108165613 788294625 /nfs/dbraw/zinc/29/46/25/788294625.db2.gz KWPSIBKTPKTPES-QGZVFWFLSA-N 1 2 347.440 2.410 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2csc(-c3ccco3)n2)C1 ZINC001108165613 788294629 /nfs/dbraw/zinc/29/46/29/788294629.db2.gz KWPSIBKTPKTPES-QGZVFWFLSA-N 1 2 347.440 2.410 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3ccnc(F)c3)CC2)cc1C#N ZINC000824805030 788308925 /nfs/dbraw/zinc/30/89/25/788308925.db2.gz DGVLZZOOIBTLEP-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C=CCc1cc(C[NH+]2CCC(C#N)(C(=O)OC)CC2)cc(OC)c1O ZINC000824867768 788327831 /nfs/dbraw/zinc/32/78/31/788327831.db2.gz WOSUXLPCTKLGAR-UHFFFAOYSA-N 1 2 344.411 2.408 20 30 EEEDLO C=CCCC(=O)NC[C@]1(C)C[N@H+](CCOc2ccccc2)CCO1 ZINC001107804180 788511563 /nfs/dbraw/zinc/51/15/63/788511563.db2.gz LLSYSVJDBIJCDQ-LJQANCHMSA-N 1 2 332.444 2.239 20 30 EEEDLO C=CCCC(=O)NC[C@]1(C)C[N@@H+](CCOc2ccccc2)CCO1 ZINC001107804180 788511571 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EEEDLO Cn1nnc(-c2ccc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)cn2)n1 ZINC001171184461 789798394 /nfs/dbraw/zinc/79/83/94/789798394.db2.gz LAHPTRLKZKWBEJ-UHFFFAOYSA-N 1 2 345.366 2.168 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc(-c3ccccn3)s2)C1 ZINC000923578552 789805464 /nfs/dbraw/zinc/80/54/64/789805464.db2.gz DKBNRTULOFRBRS-ZDUSSCGKSA-N 1 2 326.425 2.033 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(-c3ccccn3)s2)C1 ZINC000923578552 789805473 /nfs/dbraw/zinc/80/54/73/789805473.db2.gz DKBNRTULOFRBRS-ZDUSSCGKSA-N 1 2 326.425 2.033 20 30 EEEDLO CC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC2(CCOCC2)C1 ZINC001089911479 789973591 /nfs/dbraw/zinc/97/35/91/789973591.db2.gz MMPSHRVYMYFJBP-SFHVURJKSA-N 1 2 345.418 2.205 20 30 EEEDLO CC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC2(CCOCC2)C1 ZINC001089911479 789973598 /nfs/dbraw/zinc/97/35/98/789973598.db2.gz MMPSHRVYMYFJBP-SFHVURJKSA-N 1 2 345.418 2.205 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC1(CNC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001062882787 789979342 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806210878 /nfs/dbraw/zinc/21/08/78/806210878.db2.gz RGCQIVKZBFOHGH-CQSZACIVSA-N 1 2 346.479 2.155 20 30 EEEDLO C=C1CC(C)(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC2)C1 ZINC001064456982 793160848 /nfs/dbraw/zinc/16/08/48/793160848.db2.gz ASUVTXDEMMALRT-ZIAGYGMSSA-N 1 2 342.443 2.025 20 30 EEEDLO C=C1CC(C)(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC2)C1 ZINC001064456982 793160857 /nfs/dbraw/zinc/16/08/57/793160857.db2.gz ASUVTXDEMMALRT-ZIAGYGMSSA-N 1 2 342.443 2.025 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)[C@@H]1CC ZINC001091780882 793292456 /nfs/dbraw/zinc/29/24/56/793292456.db2.gz DZNUHTSORZKPLV-JKSUJKDBSA-N 1 2 344.459 2.339 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1coc(C)n1 ZINC001089228854 793506145 /nfs/dbraw/zinc/50/61/45/793506145.db2.gz PLSMVJBMUPTXBN-KSZLIROESA-N 1 2 347.459 2.387 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1coc(C)n1 ZINC001089228854 793506150 /nfs/dbraw/zinc/50/61/50/793506150.db2.gz 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CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[C@H](C)CC1)c1nccn12 ZINC001092409842 793959080 /nfs/dbraw/zinc/95/90/80/793959080.db2.gz YICGZEDIJBBPHI-BRWVUGGUSA-N 1 2 340.471 2.305 20 30 EEEDLO Cc1ccc(N2CC[N@H+](CC(=O)NC3(C#N)CCC3)[C@@H](C)C2)cc1C ZINC000784342321 794082128 /nfs/dbraw/zinc/08/21/28/794082128.db2.gz SCBLJXZAQUBRFT-KRWDZBQOSA-N 1 2 340.471 2.376 20 30 EEEDLO Cc1ccc(N2CC[N@@H+](CC(=O)NC3(C#N)CCC3)[C@@H](C)C2)cc1C ZINC000784342321 794082132 /nfs/dbraw/zinc/08/21/32/794082132.db2.gz SCBLJXZAQUBRFT-KRWDZBQOSA-N 1 2 340.471 2.376 20 30 EEEDLO CCc1nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)C)C3)cc(C)[nH+]1 ZINC001092829448 794389763 /nfs/dbraw/zinc/38/97/63/794389763.db2.gz QNAATFCBZBZSIV-PMPSAXMXSA-N 1 2 326.444 2.233 20 30 EEEDLO C[C@H](CC(=O)N[C@H](CNc1ncccc1C#N)C1CC1)n1cc[nH+]c1 ZINC001109991812 806342907 /nfs/dbraw/zinc/34/29/07/806342907.db2.gz RDCUNRQZJZFTDT-CZUORRHYSA-N 1 2 338.415 2.108 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001110005400 806365442 /nfs/dbraw/zinc/36/54/42/806365442.db2.gz RNSODVOXOZHRET-KRWDZBQOSA-N 1 2 341.390 2.360 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001110005400 806365451 /nfs/dbraw/zinc/36/54/51/806365451.db2.gz RNSODVOXOZHRET-KRWDZBQOSA-N 1 2 341.390 2.360 20 30 EEEDLO C=C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21)c1ccccc1 ZINC001093274578 794946976 /nfs/dbraw/zinc/94/69/76/794946976.db2.gz NXTXTWHREOGGNM-IMBTUZDBSA-N 1 2 334.423 2.306 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nnc(C3CC3)[nH]2)C1 ZINC001036788882 795011487 /nfs/dbraw/zinc/01/14/87/795011487.db2.gz IQGGNBLDOGDAFK-LSDHHAIUSA-N 1 2 343.475 2.317 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nnc(C3CC3)[nH]2)C1 ZINC001036788882 795011495 /nfs/dbraw/zinc/01/14/95/795011495.db2.gz IQGGNBLDOGDAFK-LSDHHAIUSA-N 1 2 343.475 2.317 20 30 EEEDLO CC1(C)CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077531757 795257438 /nfs/dbraw/zinc/25/74/38/795257438.db2.gz DKQDULFXRNADAS-GUDVDZBRSA-N 1 2 340.467 2.026 20 30 EEEDLO CC1(C)CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077531757 795257442 /nfs/dbraw/zinc/25/74/42/795257442.db2.gz DKQDULFXRNADAS-GUDVDZBRSA-N 1 2 340.467 2.026 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3ncccc3C)CC2)C1 ZINC001093522825 795309446 /nfs/dbraw/zinc/30/94/46/795309446.db2.gz FGEVRWDZQBYDPI-UHFFFAOYSA-N 1 2 329.444 2.272 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3c(C)ccn3C)CC2)C1 ZINC001093531207 795318202 /nfs/dbraw/zinc/31/82/02/795318202.db2.gz QLYGRJXTKUCBTI-UHFFFAOYSA-N 1 2 331.460 2.215 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(-c3ccncc3)o2)C1 ZINC001107998563 795332080 /nfs/dbraw/zinc/33/20/80/795332080.db2.gz MUKLLFNKOSBKFJ-IBGZPJMESA-N 1 2 341.411 2.348 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(-c3ccncc3)o2)C1 ZINC001107998563 795332084 /nfs/dbraw/zinc/33/20/84/795332084.db2.gz MUKLLFNKOSBKFJ-IBGZPJMESA-N 1 2 341.411 2.348 20 30 EEEDLO C=CCC[NH+]1CC(OC2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001093537495 795334459 /nfs/dbraw/zinc/33/44/59/795334459.db2.gz WXJCRFVBLJXURP-ZDUSSCGKSA-N 1 2 338.345 2.155 20 30 EEEDLO CCc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)no1 ZINC001032740455 795338640 /nfs/dbraw/zinc/33/86/40/795338640.db2.gz PCDCKHJBOFRBQO-HOTGVXAUSA-N 1 2 336.395 2.208 20 30 EEEDLO CCc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)no1 ZINC001032740455 795338646 /nfs/dbraw/zinc/33/86/46/795338646.db2.gz PCDCKHJBOFRBQO-HOTGVXAUSA-N 1 2 336.395 2.208 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)C1 ZINC001093577088 795387666 /nfs/dbraw/zinc/38/76/66/795387666.db2.gz HBOHMIAXRLJMKZ-UHFFFAOYSA-N 1 2 346.475 2.415 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3n2CCCCC3)C1 ZINC001079940474 795421163 /nfs/dbraw/zinc/42/11/63/795421163.db2.gz NNTZVMMMPKMLKU-TZMCWYRMSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3n2CCCCC3)C1 ZINC001079940474 795421167 /nfs/dbraw/zinc/42/11/67/795421167.db2.gz NNTZVMMMPKMLKU-TZMCWYRMSA-N 1 2 336.867 2.412 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](F)Cc3ccccc3)CC2)C1 ZINC001093599336 795439958 /nfs/dbraw/zinc/43/99/58/795439958.db2.gz YBMWJJDKZSPOIT-LJQANCHMSA-N 1 2 346.446 2.445 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2ccccc2CC)C1 ZINC001108020025 795563705 /nfs/dbraw/zinc/56/37/05/795563705.db2.gz HATMVPPFEIRACA-HXUWFJFHSA-N 1 2 328.456 2.022 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2ccccc2CC)C1 ZINC001108020025 795563706 /nfs/dbraw/zinc/56/37/06/795563706.db2.gz HATMVPPFEIRACA-HXUWFJFHSA-N 1 2 328.456 2.022 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106443466 795598494 /nfs/dbraw/zinc/59/84/94/795598494.db2.gz XUHVZJGFGOAWMD-UONOGXRCSA-N 1 2 344.459 2.009 20 30 EEEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)CCOC)c2C1 ZINC001128146163 795780136 /nfs/dbraw/zinc/78/01/36/795780136.db2.gz WMVBFIGXQPFNJC-UHFFFAOYSA-N 1 2 334.464 2.098 20 30 EEEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)CCOC)c2C1 ZINC001128146163 795780140 /nfs/dbraw/zinc/78/01/40/795780140.db2.gz WMVBFIGXQPFNJC-UHFFFAOYSA-N 1 2 334.464 2.098 20 30 EEEDLO Cc1ccc(C#N)c(NCCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)n1 ZINC001093935838 795829425 /nfs/dbraw/zinc/82/94/25/795829425.db2.gz OFWDUHNMKRKUHT-MRXNPFEDSA-N 1 2 340.431 2.274 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001108026795 795836782 /nfs/dbraw/zinc/83/67/82/795836782.db2.gz FBSPEQHASWPLDF-LJQANCHMSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001108026795 795836785 /nfs/dbraw/zinc/83/67/85/795836785.db2.gz FBSPEQHASWPLDF-LJQANCHMSA-N 1 2 341.411 2.348 20 30 EEEDLO Cc1ccc(C#N)c(NCC[C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC001106592735 795906156 /nfs/dbraw/zinc/90/61/56/795906156.db2.gz JMFFNTHODFPQMN-LSDHHAIUSA-N 1 2 340.431 2.416 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)[C@H]2C)ncn1 ZINC000993205904 795911947 /nfs/dbraw/zinc/91/19/47/795911947.db2.gz IFYXIUCGBNIOHM-YJBOKZPZSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)[C@H]2C)ncn1 ZINC000993205904 795911952 /nfs/dbraw/zinc/91/19/52/795911952.db2.gz IFYXIUCGBNIOHM-YJBOKZPZSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1ccc(C#N)c(NCC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001106624269 795978234 /nfs/dbraw/zinc/97/82/34/795978234.db2.gz BTICCCPKBLMWSJ-BPLDGKMQSA-N 1 2 338.415 2.095 20 30 EEEDLO Cc1ccc(C#N)c(NCC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001106624269 795978240 /nfs/dbraw/zinc/97/82/40/795978240.db2.gz BTICCCPKBLMWSJ-BPLDGKMQSA-N 1 2 338.415 2.095 20 30 EEEDLO C[C@@H](CC(=O)NCCNc1snc(Cl)c1C#N)n1cc[nH+]c1 ZINC001094167695 795980297 /nfs/dbraw/zinc/98/02/97/795980297.db2.gz JZQIGPSOAFWOSL-VIFPVBQESA-N 1 2 338.824 2.044 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)C2=CCOCC2)[C@@H]1C ZINC000993233078 796131859 /nfs/dbraw/zinc/13/18/59/796131859.db2.gz PLOOORODGOSZTJ-JSGCOSHPSA-N 1 2 343.265 2.211 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)C2=CCOCC2)[C@@H]1C ZINC000993233078 796131862 /nfs/dbraw/zinc/13/18/62/796131862.db2.gz PLOOORODGOSZTJ-JSGCOSHPSA-N 1 2 343.265 2.211 20 30 EEEDLO C#CCCCC(=O)NCCCNc1[nH+]c(C)nc(-n2cccn2)c1C ZINC001094383178 796191298 /nfs/dbraw/zinc/19/12/98/796191298.db2.gz OIEDKWGYDNXVJC-UHFFFAOYSA-N 1 2 340.431 2.001 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001081060207 796604767 /nfs/dbraw/zinc/60/47/67/796604767.db2.gz XEENNWMEBQYREY-QMTHXVAHSA-N 1 2 348.834 2.082 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001081060207 796604773 /nfs/dbraw/zinc/60/47/73/796604773.db2.gz XEENNWMEBQYREY-QMTHXVAHSA-N 1 2 348.834 2.082 20 30 EEEDLO C#CCOc1ncccc1C(=O)NC1C[NH+](Cc2ccc(C)cc2C)C1 ZINC001031276354 796631991 /nfs/dbraw/zinc/63/19/91/796631991.db2.gz XOQPYRUURZWEAZ-UHFFFAOYSA-N 1 2 349.434 2.325 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC(CN(CC)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001081104954 796646669 /nfs/dbraw/zinc/64/66/69/796646669.db2.gz ZORQCWGBJIXKCX-UHFFFAOYSA-N 1 2 346.475 2.252 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ccc3cccnn32)CC1 ZINC001001235452 796678137 /nfs/dbraw/zinc/67/81/37/796678137.db2.gz UMHDRIZVHUABDR-UHFFFAOYSA-N 1 2 330.819 2.449 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ccc3cccnn32)CC1 ZINC001001235452 796678141 /nfs/dbraw/zinc/67/81/41/796678141.db2.gz UMHDRIZVHUABDR-UHFFFAOYSA-N 1 2 330.819 2.449 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccn(C)n2)[C@@H]1C ZINC000993445549 796711580 /nfs/dbraw/zinc/71/15/80/796711580.db2.gz LMWNVEZPDKXXLI-NVXWUHKLSA-N 1 2 341.459 2.191 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccn(C)n2)[C@@H]1C ZINC000993445549 796711583 /nfs/dbraw/zinc/71/15/83/796711583.db2.gz LMWNVEZPDKXXLI-NVXWUHKLSA-N 1 2 341.459 2.191 20 30 EEEDLO C[C@@H](CC(=O)N1CC[C@H](CNc2ncccc2C#N)C1)n1cc[nH+]c1 ZINC001061001948 796827607 /nfs/dbraw/zinc/82/76/07/796827607.db2.gz ZEJTXZGWMZXZIM-LSDHHAIUSA-N 1 2 338.415 2.061 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cnco2)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000993650212 796873621 /nfs/dbraw/zinc/87/36/21/796873621.db2.gz XEIATTASFBYNDA-LRDDRELGSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cnco2)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000993650212 796873624 /nfs/dbraw/zinc/87/36/24/796873624.db2.gz XEIATTASFBYNDA-LRDDRELGSA-N 1 2 342.374 2.468 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccccc2C(N)=O)[C@@H]1C ZINC000993663527 796921838 /nfs/dbraw/zinc/92/18/38/796921838.db2.gz BVTUKTFMFPJFNO-XJKSGUPXSA-N 1 2 349.862 2.050 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccccc2C(N)=O)[C@@H]1C ZINC000993663527 796921840 /nfs/dbraw/zinc/92/18/40/796921840.db2.gz BVTUKTFMFPJFNO-XJKSGUPXSA-N 1 2 349.862 2.050 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2nccn3ccnc23)[C@H]1C ZINC000993854245 797090240 /nfs/dbraw/zinc/09/02/40/797090240.db2.gz KVCVBXLATWTKGR-CHWSQXEVSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2nccn3ccnc23)[C@H]1C ZINC000993854245 797090247 /nfs/dbraw/zinc/09/02/47/797090247.db2.gz KVCVBXLATWTKGR-CHWSQXEVSA-N 1 2 333.823 2.065 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001082100515 797173310 /nfs/dbraw/zinc/17/33/10/797173310.db2.gz PMORWFZJJVARFC-RDJZCZTQSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001082100515 797173312 /nfs/dbraw/zinc/17/33/12/797173312.db2.gz PMORWFZJJVARFC-RDJZCZTQSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001095073839 797311697 /nfs/dbraw/zinc/31/16/97/797311697.db2.gz BTVOXXSHXALSIL-HUUCEWRRSA-N 1 2 343.475 2.080 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001095073839 797311704 /nfs/dbraw/zinc/31/17/04/797311704.db2.gz BTVOXXSHXALSIL-HUUCEWRRSA-N 1 2 343.475 2.080 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2nccn3cc(C)nc23)[C@H]1C ZINC000994186851 797370406 /nfs/dbraw/zinc/37/04/06/797370406.db2.gz 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EEEDLO Cc1ncoc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032980076 800647428 /nfs/dbraw/zinc/64/74/28/800647428.db2.gz UYKIJCBJVOOXAS-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1nn(C)cc1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085520290 800690893 /nfs/dbraw/zinc/69/08/93/800690893.db2.gz JODZOVKIVSLCIG-CYBMUJFWSA-N 1 2 343.456 2.008 20 30 EEEDLO Cc1nn(C)cc1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085520290 800690896 /nfs/dbraw/zinc/69/08/96/800690896.db2.gz JODZOVKIVSLCIG-CYBMUJFWSA-N 1 2 343.456 2.008 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)c1ccn(C)c1 ZINC001085548904 800751055 /nfs/dbraw/zinc/75/10/55/800751055.db2.gz HKAILGKUDWSRPD-KRWDZBQOSA-N 1 2 340.402 2.382 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)c1ccn(C)c1 ZINC001085548904 800751058 /nfs/dbraw/zinc/75/10/58/800751058.db2.gz HKAILGKUDWSRPD-KRWDZBQOSA-N 1 2 340.402 2.382 20 30 EEEDLO C#Cc1cccc(NC(=O)C[NH+]2CCC(NC(=O)C(C)(C)C)CC2)c1 ZINC001004025344 800805836 /nfs/dbraw/zinc/80/58/36/800805836.db2.gz MFEIUTKLKXWLTG-UHFFFAOYSA-N 1 2 341.455 2.233 20 30 EEEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC001033021547 800855546 /nfs/dbraw/zinc/85/55/46/800855546.db2.gz IGXHWYAKZUMWTL-LLVKDONJSA-N 1 2 327.215 2.352 20 30 EEEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001033021547 800855553 /nfs/dbraw/zinc/85/55/53/800855553.db2.gz IGXHWYAKZUMWTL-LLVKDONJSA-N 1 2 327.215 2.352 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001182108301 801026600 /nfs/dbraw/zinc/02/66/00/801026600.db2.gz KMEJNASMOOYZIF-CQSZACIVSA-N 1 2 332.448 2.251 20 30 EEEDLO C[C@]1(CNC(=O)C2(CF)CC2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108204900 801099102 /nfs/dbraw/zinc/09/91/02/801099102.db2.gz BPOPAISCKKPJJF-SFHVURJKSA-N 1 2 345.418 2.015 20 30 EEEDLO C[C@]1(CNC(=O)C2(CF)CC2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108204900 801099105 /nfs/dbraw/zinc/09/91/05/801099105.db2.gz BPOPAISCKKPJJF-SFHVURJKSA-N 1 2 345.418 2.015 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001108208791 801264903 /nfs/dbraw/zinc/26/49/03/801264903.db2.gz FLGYTWRDXYOCRB-FQEVSTJZSA-N 1 2 341.455 2.070 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001108208791 801264912 /nfs/dbraw/zinc/26/49/12/801264912.db2.gz FLGYTWRDXYOCRB-FQEVSTJZSA-N 1 2 341.455 2.070 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH2+]Cc2nc([C@@H](C)OC)no2)C1 ZINC001182898521 801392805 /nfs/dbraw/zinc/39/28/05/801392805.db2.gz ZRXMYHRLWPKOQO-CHWSQXEVSA-N 1 2 336.436 2.070 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC001108068773 801576062 /nfs/dbraw/zinc/57/60/62/801576062.db2.gz SOMBEERMKABPNO-WMZOPIPTSA-N 1 2 336.476 2.119 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC001108068773 801576067 /nfs/dbraw/zinc/57/60/67/801576067.db2.gz SOMBEERMKABPNO-WMZOPIPTSA-N 1 2 336.476 2.119 20 30 EEEDLO Cc1nc(C)c(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)nc1C ZINC001004483923 802206718 /nfs/dbraw/zinc/20/67/18/802206718.db2.gz JWFKXQSFHGKLBX-KRWDZBQOSA-N 1 2 341.459 2.242 20 30 EEEDLO Cc1nc(C)c(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)nc1C ZINC001004483923 802206725 /nfs/dbraw/zinc/20/67/25/802206725.db2.gz JWFKXQSFHGKLBX-KRWDZBQOSA-N 1 2 341.459 2.242 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001108075607 802220093 /nfs/dbraw/zinc/22/00/93/802220093.db2.gz ASZKAAKDAOEIKI-UYAOXDASSA-N 1 2 344.430 2.086 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001108075607 802220097 /nfs/dbraw/zinc/22/00/97/802220097.db2.gz ASZKAAKDAOEIKI-UYAOXDASSA-N 1 2 344.430 2.086 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2noc3c2CCCC3)CC1 ZINC001004546452 802344928 /nfs/dbraw/zinc/34/49/28/802344928.db2.gz JJGVVXBZLRYFIV-MRXNPFEDSA-N 1 2 342.443 2.394 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2noc3c2CCCC3)CC1 ZINC001004546452 802344940 /nfs/dbraw/zinc/34/49/40/802344940.db2.gz JJGVVXBZLRYFIV-MRXNPFEDSA-N 1 2 342.443 2.394 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001108248521 802356748 /nfs/dbraw/zinc/35/67/48/802356748.db2.gz LHSGGYXXLHLLAR-PXNSSMCTSA-N 1 2 328.456 2.329 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001108248521 802356755 /nfs/dbraw/zinc/35/67/55/802356755.db2.gz LHSGGYXXLHLLAR-PXNSSMCTSA-N 1 2 328.456 2.329 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc3cnccc3n2)CC1 ZINC001004577115 802401622 /nfs/dbraw/zinc/40/16/22/802401622.db2.gz GQVFJWSXUPKKBD-IBGZPJMESA-N 1 2 349.438 2.470 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc3cnccc3n2)CC1 ZINC001004577115 802401629 /nfs/dbraw/zinc/40/16/29/802401629.db2.gz GQVFJWSXUPKKBD-IBGZPJMESA-N 1 2 349.438 2.470 20 30 EEEDLO Cc1c(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)nnn1C(C)C ZINC001004590934 802437887 /nfs/dbraw/zinc/43/78/87/802437887.db2.gz IGZXMXSCLWYJRE-INIZCTEOSA-N 1 2 344.463 2.008 20 30 EEEDLO Cc1c(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)nnn1C(C)C ZINC001004590934 802437899 /nfs/dbraw/zinc/43/78/99/802437899.db2.gz IGZXMXSCLWYJRE-INIZCTEOSA-N 1 2 344.463 2.008 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001033147746 802472938 /nfs/dbraw/zinc/47/29/38/802472938.db2.gz YFGNFFXJBLDEDM-MRXNPFEDSA-N 1 2 328.416 2.317 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001033147746 802472942 /nfs/dbraw/zinc/47/29/42/802472942.db2.gz YFGNFFXJBLDEDM-MRXNPFEDSA-N 1 2 328.416 2.317 20 30 EEEDLO C[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)C1CCOCC1 ZINC001004634321 802514877 /nfs/dbraw/zinc/51/48/77/802514877.db2.gz MRDBLLDIICUVSX-YJBOKZPZSA-N 1 2 333.476 2.276 20 30 EEEDLO C[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)C1CCOCC1 ZINC001004634321 802514881 /nfs/dbraw/zinc/51/48/81/802514881.db2.gz MRDBLLDIICUVSX-YJBOKZPZSA-N 1 2 333.476 2.276 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001066462660 802620915 /nfs/dbraw/zinc/62/09/15/802620915.db2.gz JHLLRFFIOUMBAY-HZPDHXFCSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001066462660 802620923 /nfs/dbraw/zinc/62/09/23/802620923.db2.gz JHLLRFFIOUMBAY-HZPDHXFCSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001033160968 802694712 /nfs/dbraw/zinc/69/47/12/802694712.db2.gz OILARTVORMXZHZ-INIZCTEOSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001033160968 802694714 /nfs/dbraw/zinc/69/47/14/802694714.db2.gz OILARTVORMXZHZ-INIZCTEOSA-N 1 2 345.834 2.166 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2CC[NH+]([C@H](C)c3ncccn3)CC2)cn1 ZINC001006313172 803048759 /nfs/dbraw/zinc/04/87/59/803048759.db2.gz MIFOGKUGRFYSSM-OAHLLOKOSA-N 1 2 349.438 2.151 20 30 EEEDLO C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccc3nc[nH]c32)C1 ZINC001108298839 803240459 /nfs/dbraw/zinc/24/04/59/803240459.db2.gz ZYVLTIVHKVQLMY-LJQANCHMSA-N 1 2 342.443 2.350 20 30 EEEDLO C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccc3nc[nH]c32)C1 ZINC001108298839 803240462 /nfs/dbraw/zinc/24/04/62/803240462.db2.gz ZYVLTIVHKVQLMY-LJQANCHMSA-N 1 2 342.443 2.350 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c(C)oc(C)c2C)[C@@H](O)C1 ZINC001090416514 803262786 /nfs/dbraw/zinc/26/27/86/803262786.db2.gz IIHLTQFGUHVIIB-KGLIPLIRSA-N 1 2 326.824 2.122 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)oc(C)c2C)[C@@H](O)C1 ZINC001090416514 803262794 /nfs/dbraw/zinc/26/27/94/803262794.db2.gz IIHLTQFGUHVIIB-KGLIPLIRSA-N 1 2 326.824 2.122 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccnc(C(F)(F)F)c2)C1 ZINC001108321696 803276650 /nfs/dbraw/zinc/27/66/50/803276650.db2.gz GHUYQRGDSNVZMV-OAHLLOKOSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccnc(C(F)(F)F)c2)C1 ZINC001108321696 803276657 /nfs/dbraw/zinc/27/66/57/803276657.db2.gz GHUYQRGDSNVZMV-OAHLLOKOSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCc3sc(C)nc32)C1 ZINC001108338757 803322204 /nfs/dbraw/zinc/32/22/04/803322204.db2.gz MQAKPLPFRAMBAZ-KDOFPFPSSA-N 1 2 349.500 2.265 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCc3sc(C)nc32)C1 ZINC001108338757 803322208 /nfs/dbraw/zinc/32/22/08/803322208.db2.gz MQAKPLPFRAMBAZ-KDOFPFPSSA-N 1 2 349.500 2.265 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001108346448 803328445 /nfs/dbraw/zinc/32/84/45/803328445.db2.gz LLKOZYGKQYATDB-IBGZPJMESA-N 1 2 331.460 2.057 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001108346448 803328450 /nfs/dbraw/zinc/32/84/50/803328450.db2.gz LLKOZYGKQYATDB-IBGZPJMESA-N 1 2 331.460 2.057 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001108346798 803330494 /nfs/dbraw/zinc/33/04/94/803330494.db2.gz ZCTHOBKEXLFXCE-DZGCQCFKSA-N 1 2 334.382 2.195 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001108346798 803330501 /nfs/dbraw/zinc/33/05/01/803330501.db2.gz ZCTHOBKEXLFXCE-DZGCQCFKSA-N 1 2 334.382 2.195 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)Oc2ccc(C)cc2)C1 ZINC001108384581 803428173 /nfs/dbraw/zinc/42/81/73/803428173.db2.gz VSIBFDPKWQIUBW-QFBILLFUSA-N 1 2 332.444 2.155 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)Oc2ccc(C)cc2)C1 ZINC001108384581 803428180 /nfs/dbraw/zinc/42/81/80/803428180.db2.gz VSIBFDPKWQIUBW-QFBILLFUSA-N 1 2 332.444 2.155 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@]1(C)C[N@H+](Cc2ccsc2)CCO1 ZINC001108433092 803559668 /nfs/dbraw/zinc/55/96/68/803559668.db2.gz XMXKFCJABBFQJG-RHSMWYFYSA-N 1 2 338.473 2.046 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@]1(C)C[N@@H+](Cc2ccsc2)CCO1 ZINC001108433092 803559670 /nfs/dbraw/zinc/55/96/70/803559670.db2.gz XMXKFCJABBFQJG-RHSMWYFYSA-N 1 2 338.473 2.046 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)CCCC3CCCC3)CC2=O)C1 ZINC001108592233 804264885 /nfs/dbraw/zinc/26/48/85/804264885.db2.gz PVWYBANJMGEVRB-QGZVFWFLSA-N 1 2 347.503 2.324 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109074893 804913147 /nfs/dbraw/zinc/91/31/47/804913147.db2.gz RVMDBXPETWRQMS-NJAFHUGGSA-N 1 2 343.402 2.121 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109074893 804913150 /nfs/dbraw/zinc/91/31/50/804913150.db2.gz RVMDBXPETWRQMS-NJAFHUGGSA-N 1 2 343.402 2.121 20 30 EEEDLO Cc1cc(N(C)C[C@H](C)NC(=O)c2cccc3[nH+]ccn32)c(C#N)cn1 ZINC001109151786 805025368 /nfs/dbraw/zinc/02/53/68/805025368.db2.gz ODAGRQQJBRCYAE-AWEZNQCLSA-N 1 2 348.410 2.164 20 30 EEEDLO C[NH+]1CCN(c2ccc(NC(=O)CC#N)cc2Br)CC1 ZINC000787666877 807184232 /nfs/dbraw/zinc/18/42/32/807184232.db2.gz NQDREGLIZBXMBN-UHFFFAOYSA-N 1 2 337.221 2.053 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](CCOc2cc(C)ccc2C)CC1 ZINC001112804338 807281472 /nfs/dbraw/zinc/28/14/72/807281472.db2.gz JYYLPLMFOBMYBK-HXUWFJFHSA-N 1 2 346.471 2.154 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CC[NH+](Cc2cccc3c2CCOC3)CC1 ZINC001112836837 807380979 /nfs/dbraw/zinc/38/09/79/807380979.db2.gz KSCPHPSAXADQCF-UHFFFAOYSA-N 1 2 340.467 2.453 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CC[NH+](CCOCC3CC3)CC2)cc1 ZINC001113022798 807876914 /nfs/dbraw/zinc/87/69/14/807876914.db2.gz UAAGTHRFFTWXTA-UHFFFAOYSA-N 1 2 344.455 2.436 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC001113229087 808491458 /nfs/dbraw/zinc/49/14/58/808491458.db2.gz CNNADJKAMQXELI-ZIAGYGMSSA-N 1 2 328.416 2.325 20 30 EEEDLO C#CCCCCCC(=O)N[C@H](C)[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001113251167 808545567 /nfs/dbraw/zinc/54/55/67/808545567.db2.gz MIWZCXCJIATYGJ-KGLIPLIRSA-N 1 2 342.447 2.252 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001113317705 808717339 /nfs/dbraw/zinc/71/73/39/808717339.db2.gz ZSQDLUWDUUPBGX-RYUDHWBXSA-N 1 2 330.436 2.271 20 30 EEEDLO Cc1cc(N[C@H](C)[C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)c(C#N)cn1 ZINC001113349694 808760468 /nfs/dbraw/zinc/76/04/68/808760468.db2.gz HVSGIRVELRWMPH-OLZOCXBDSA-N 1 2 348.410 2.179 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc2ncccc2C#N)c[nH+]1 ZINC001113361481 808807266 /nfs/dbraw/zinc/80/72/66/808807266.db2.gz IKNJFLMBRPRCJA-KBPBESRZSA-N 1 2 340.431 2.199 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@H](C)[C@@H](C)Nc2cnc(C#N)cn2)c(C)[nH+]1 ZINC001113382205 808866149 /nfs/dbraw/zinc/86/61/49/808866149.db2.gz PSHQYGXXJHILEV-CHWSQXEVSA-N 1 2 338.415 2.287 20 30 EEEDLO C=CCCC[NH+]1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC001113490086 809066113 /nfs/dbraw/zinc/06/61/13/809066113.db2.gz YHSVXSIZQRVDDF-UHFFFAOYSA-N 1 2 325.416 2.196 20 30 EEEDLO CCOCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001113925862 810066518 /nfs/dbraw/zinc/06/65/18/810066518.db2.gz SWJGWWGORXGPNS-DZFIZOCASA-N 1 2 345.418 2.060 20 30 EEEDLO CCOCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001113925862 810066520 /nfs/dbraw/zinc/06/65/20/810066520.db2.gz SWJGWWGORXGPNS-DZFIZOCASA-N 1 2 345.418 2.060 20 30 EEEDLO C[C@@H](CNC(=O)CCc1[nH+]ccn1C)N(C)c1cccc(F)c1C#N ZINC001114015613 810189869 /nfs/dbraw/zinc/18/98/69/810189869.db2.gz JMXAABGBWXRNOZ-ZDUSSCGKSA-N 1 2 343.406 2.005 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(CCCC)n3)C[C@H]21 ZINC001114033638 810222309 /nfs/dbraw/zinc/22/23/09/810222309.db2.gz AOXQZXMVBZVFPE-HWWDLCQESA-N 1 2 349.500 2.235 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(CCCC)n3)C[C@H]21 ZINC001114033638 810222311 /nfs/dbraw/zinc/22/23/11/810222311.db2.gz AOXQZXMVBZVFPE-HWWDLCQESA-N 1 2 349.500 2.235 20 30 EEEDLO CC(C)(C)OCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114166253 810515383 /nfs/dbraw/zinc/51/53/83/810515383.db2.gz PRFSNBWQRMRNFE-VQFNDLOPSA-N 1 2 345.418 2.059 20 30 EEEDLO CC(C)(C)OCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114166253 810515387 /nfs/dbraw/zinc/51/53/87/810515387.db2.gz PRFSNBWQRMRNFE-VQFNDLOPSA-N 1 2 345.418 2.059 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cncc(OC)n2)C1 ZINC001437905227 1090485484 /nfs/dbraw/zinc/48/54/84/1090485484.db2.gz OMROPPKRGUDCQL-ZDUSSCGKSA-N 1 2 338.839 2.164 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cncc(OC)n2)C1 ZINC001437905227 1090485486 /nfs/dbraw/zinc/48/54/86/1090485486.db2.gz OMROPPKRGUDCQL-ZDUSSCGKSA-N 1 2 338.839 2.164 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H](C)C#N)c(C)[nH+]1 ZINC001445722147 1091538242 /nfs/dbraw/zinc/53/82/42/1091538242.db2.gz JBLFAVPDGWUJDI-DAXOMENPSA-N 1 2 342.443 2.324 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1ccn(CC)n1 ZINC001440468818 1093694344 /nfs/dbraw/zinc/69/43/44/1093694344.db2.gz ABYKBYRJPZQHHG-UHFFFAOYSA-N 1 2 343.269 2.206 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1ccn(CC)n1 ZINC001440468818 1093694345 /nfs/dbraw/zinc/69/43/45/1093694345.db2.gz ABYKBYRJPZQHHG-UHFFFAOYSA-N 1 2 343.269 2.206 20 30 EEEDLO CC(C)c1noc([C@H](C)[NH2+][C@H](C)CN(C)C(=O)c2cc(C#N)c[nH]2)n1 ZINC001448634176 1093695609 /nfs/dbraw/zinc/69/56/09/1093695609.db2.gz LTZDRHVZZSHOFM-NEPJUHHUSA-N 1 2 344.419 2.204 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)COCc2cccnc2)[C@@H]1C ZINC001449039266 1094052750 /nfs/dbraw/zinc/05/27/50/1094052750.db2.gz BLZJKGCAMMWXEI-GOEBONIOSA-N 1 2 337.851 2.320 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)COCc2cccnc2)[C@@H]1C ZINC001449039266 1094052757 /nfs/dbraw/zinc/05/27/57/1094052757.db2.gz BLZJKGCAMMWXEI-GOEBONIOSA-N 1 2 337.851 2.320 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCCn1nc(C)cc1C ZINC001440976956 1094237187 /nfs/dbraw/zinc/23/71/87/1094237187.db2.gz NVDGYTCILQMARJ-HNNXBMFYSA-N 1 2 326.872 2.469 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCCn1nc(C)cc1C ZINC001440976956 1094237191 /nfs/dbraw/zinc/23/71/91/1094237191.db2.gz NVDGYTCILQMARJ-HNNXBMFYSA-N 1 2 326.872 2.469 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCC(=O)NCCC)[C@H]1C ZINC001441907964 1096076493 /nfs/dbraw/zinc/07/64/93/1096076493.db2.gz VBVSOXJQODJWQY-CABCVRRESA-N 1 2 343.899 2.405 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCC(=O)NCCC)[C@H]1C ZINC001441907964 1096076506 /nfs/dbraw/zinc/07/65/06/1096076506.db2.gz VBVSOXJQODJWQY-CABCVRRESA-N 1 2 343.899 2.405 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001444022706 1098540424 /nfs/dbraw/zinc/54/04/24/1098540424.db2.gz VSAVMFADLDVCDC-AWEZNQCLSA-N 1 2 333.823 2.322 20 30 EEEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@]1(C)CCCOC1 ZINC001445067532 1100267133 /nfs/dbraw/zinc/26/71/33/1100267133.db2.gz HFJPQHHMMTUZOG-LJQANCHMSA-N 1 2 347.434 2.404 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@]1(C)CCCOC1 ZINC001445067532 1100267135 /nfs/dbraw/zinc/26/71/35/1100267135.db2.gz HFJPQHHMMTUZOG-LJQANCHMSA-N 1 2 347.434 2.404 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cccn(CC(C)C)c1=O ZINC001448105018 1104016130 /nfs/dbraw/zinc/01/61/30/1104016130.db2.gz UCRLNLYLHJCBLQ-CQSZACIVSA-N 1 2 339.867 2.307 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cccn(CC(C)C)c1=O ZINC001448105018 1104016142 /nfs/dbraw/zinc/01/61/42/1104016142.db2.gz UCRLNLYLHJCBLQ-CQSZACIVSA-N 1 2 339.867 2.307 20 30 EEEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)[C@H]1CCCCO1)C1CC1 ZINC001493362175 1107990857 /nfs/dbraw/zinc/99/08/57/1107990857.db2.gz UQDMTJLUGLAGRI-GOSISDBHSA-N 1 2 327.428 2.208 20 30 EEEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)[C@H]1CCCCO1)C1CC1 ZINC001493362175 1107990869 /nfs/dbraw/zinc/99/08/69/1107990869.db2.gz UQDMTJLUGLAGRI-GOSISDBHSA-N 1 2 327.428 2.208 20 30 EEEDLO N#Cc1ccc(NC(=O)C[NH2+][C@@H](CO)c2cc(F)ccc2F)cc1 ZINC001460956829 1110329823 /nfs/dbraw/zinc/32/98/23/1110329823.db2.gz YAMUWVHSHMJHRG-INIZCTEOSA-N 1 2 331.322 2.098 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001520325845 1119146208 /nfs/dbraw/zinc/14/62/08/1119146208.db2.gz ODJDGWLLYIVEGE-INIZCTEOSA-N 1 2 333.480 2.455 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)C[C@@H]1CCOC1 ZINC001524338557 1120064908 /nfs/dbraw/zinc/06/49/08/1120064908.db2.gz WLQNUGXTYDACKZ-JKSUJKDBSA-N 1 2 333.480 2.484 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)C[C@@H]1CCOC1 ZINC001524338557 1120064911 /nfs/dbraw/zinc/06/49/11/1120064911.db2.gz WLQNUGXTYDACKZ-JKSUJKDBSA-N 1 2 333.480 2.484 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)nc3)n2CC(C)C)CC1 ZINC001525019828 1120255980 /nfs/dbraw/zinc/25/59/80/1120255980.db2.gz OJKKIQRLIRLRFU-UHFFFAOYSA-N 1 2 338.459 2.060 20 30 EEEDLO C[C@@H](NC(=O)Nc1ccc(CC#N)cc1Cl)[C@@H]1CN(C)CC[N@@H+]1C ZINC001548608281 1124378208 /nfs/dbraw/zinc/37/82/08/1124378208.db2.gz XBWLEEVRXRRDKC-WBMJQRKESA-N 1 2 349.866 2.162 20 30 EEEDLO C[C@@H](NC(=O)Nc1ccc(CC#N)cc1Cl)[C@@H]1CN(C)CC[N@H+]1C ZINC001548608281 1124378216 /nfs/dbraw/zinc/37/82/16/1124378216.db2.gz XBWLEEVRXRRDKC-WBMJQRKESA-N 1 2 349.866 2.162 20 30 EEEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)Nc3cccc(C#N)c3)CC2)S1 ZINC000174366586 231190896 /nfs/dbraw/zinc/19/08/96/231190896.db2.gz YLKCTTVGQRQXCS-GFCCVEGCSA-N 1 2 329.429 2.199 20 30 EEEDLO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(C#N)CC2)c1 ZINC000057877709 214461023 /nfs/dbraw/zinc/46/10/23/214461023.db2.gz BCNKHZAIMZKYNC-CYBMUJFWSA-N 1 2 329.400 2.344 20 30 EEEDLO C=CC[N@H+](Cc1ccc(-n2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000067400013 215141343 /nfs/dbraw/zinc/14/13/43/215141343.db2.gz SWYYTGQAOYAMQG-KRWDZBQOSA-N 1 2 331.441 2.047 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(-n2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000067400013 215141346 /nfs/dbraw/zinc/14/13/46/215141346.db2.gz SWYYTGQAOYAMQG-KRWDZBQOSA-N 1 2 331.441 2.047 20 30 EEEDLO COc1ccccc1C[N@H+](CCO)CC(=O)Nc1sccc1C#N ZINC000103143908 219261765 /nfs/dbraw/zinc/26/17/65/219261765.db2.gz KSQJVLOYSMBAAM-UHFFFAOYSA-N 1 2 345.424 2.061 20 30 EEEDLO COc1ccccc1C[N@@H+](CCO)CC(=O)Nc1sccc1C#N ZINC000103143908 219261767 /nfs/dbraw/zinc/26/17/67/219261767.db2.gz KSQJVLOYSMBAAM-UHFFFAOYSA-N 1 2 345.424 2.061 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 ZINC000038068530 213200038 /nfs/dbraw/zinc/20/00/38/213200038.db2.gz VUADEBFEUXWJJK-UHFFFAOYSA-N 1 2 341.636 2.494 20 30 EEEDLO CC(C)CN1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1=O ZINC000426200445 241233096 /nfs/dbraw/zinc/23/30/96/241233096.db2.gz HTXULNCLVGFABK-HNNXBMFYSA-N 1 2 342.443 2.076 20 30 EEEDLO CC(C)CN1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1=O ZINC000426200445 241233102 /nfs/dbraw/zinc/23/31/02/241233102.db2.gz HTXULNCLVGFABK-HNNXBMFYSA-N 1 2 342.443 2.076 20 30 EEEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)CC2(CC#N)CC2)c1C ZINC000451142235 243011996 /nfs/dbraw/zinc/01/19/96/243011996.db2.gz WNGURYMTMCBQSU-UHFFFAOYSA-N 1 2 337.445 2.163 20 30 EEEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cncn3)C2)c(C#N)c1C ZINC000247070054 243368102 /nfs/dbraw/zinc/36/81/02/243368102.db2.gz GMNONJQVHAENGL-TZMCWYRMSA-N 1 2 342.403 2.024 20 30 EEEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cncn3)C2)c(C#N)c1C ZINC000247070054 243368110 /nfs/dbraw/zinc/36/81/10/243368110.db2.gz GMNONJQVHAENGL-TZMCWYRMSA-N 1 2 342.403 2.024 20 30 EEEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1nc2c(s1)CCC2 ZINC000459631949 245192987 /nfs/dbraw/zinc/19/29/87/245192987.db2.gz MLFDLZDQBDWRSE-ZUZCIYMTSA-N 1 2 326.425 2.381 20 30 EEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000491729860 246129886 /nfs/dbraw/zinc/12/98/86/246129886.db2.gz OIEWXANJXZSECT-SECBINFHSA-N 1 2 340.177 2.249 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000491729860 246129889 /nfs/dbraw/zinc/12/98/89/246129889.db2.gz OIEWXANJXZSECT-SECBINFHSA-N 1 2 340.177 2.249 20 30 EEEDLO Cc1ncc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000264229123 246215632 /nfs/dbraw/zinc/21/56/32/246215632.db2.gz XQWBOKORTDOFEG-UHFFFAOYSA-N 1 2 336.399 2.006 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C\SCc1ccco1 ZINC000492055606 246280311 /nfs/dbraw/zinc/28/03/11/246280311.db2.gz DLLVNVBADIYZLU-CPSFFCFKSA-N 1 2 349.456 2.101 20 30 EEEDLO C#CCSCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000265735432 247748188 /nfs/dbraw/zinc/74/81/88/247748188.db2.gz CJBLLOKBNSRASV-OAHLLOKOSA-N 1 2 346.431 2.314 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361250 218136670 /nfs/dbraw/zinc/13/66/70/218136670.db2.gz NMBJZQASEDOJPX-HNNXBMFYSA-N 1 2 339.457 2.269 20 30 EEEDLO C=CC[N@H+](Cc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361250 218136672 /nfs/dbraw/zinc/13/66/72/218136672.db2.gz NMBJZQASEDOJPX-HNNXBMFYSA-N 1 2 339.457 2.269 20 30 EEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(C#N)cc3Cl)C[C@@H]21 ZINC000286165343 269693867 /nfs/dbraw/zinc/69/38/67/269693867.db2.gz YWUKWNNUIBYAEG-LSDHHAIUSA-N 1 2 334.807 2.148 20 30 EEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(C#N)cc3Cl)C[C@@H]21 ZINC000286165343 269693868 /nfs/dbraw/zinc/69/38/68/269693868.db2.gz YWUKWNNUIBYAEG-LSDHHAIUSA-N 1 2 334.807 2.148 20 30 EEEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000491617873 533120087 /nfs/dbraw/zinc/12/00/87/533120087.db2.gz BYXWEWXVMZHYKO-AWEZNQCLSA-N 1 2 325.437 2.212 20 30 EEEDLO CC1(C)CN(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)C(=O)O1 ZINC000123894527 292284860 /nfs/dbraw/zinc/28/48/60/292284860.db2.gz PFEDZNLJYYYNGB-UHFFFAOYSA-N 1 2 328.416 2.259 20 30 EEEDLO CC1(C)CN(C[N@H+]2CCCN(c3ccccc3C#N)CC2)C(=O)O1 ZINC000123894527 292284863 /nfs/dbraw/zinc/28/48/63/292284863.db2.gz PFEDZNLJYYYNGB-UHFFFAOYSA-N 1 2 328.416 2.259 20 30 EEEDLO N#Cc1cccc(CCNC(=O)N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000342118330 161040838 /nfs/dbraw/zinc/04/08/38/161040838.db2.gz UIYWTQGBJQDIJY-UHFFFAOYSA-N 1 2 338.411 2.221 20 30 EEEDLO N#Cc1cccc(-c2nnc(CSCC[NH+]3CCOCC3)o2)c1 ZINC000342212622 161048211 /nfs/dbraw/zinc/04/82/11/161048211.db2.gz ZPEOLTJBTBGDFG-UHFFFAOYSA-N 1 2 330.413 2.174 20 30 EEEDLO COC(=O)c1ccc([C@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)o1 ZINC000345094147 161270896 /nfs/dbraw/zinc/27/08/96/161270896.db2.gz BHJUTUHOJOFZJJ-ZDUSSCGKSA-N 1 2 340.383 2.216 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000346474969 161375537 /nfs/dbraw/zinc/37/55/37/161375537.db2.gz BUNINVJGZCSEQU-WMLDXEAASA-N 1 2 336.395 2.434 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000346474969 161375538 /nfs/dbraw/zinc/37/55/38/161375538.db2.gz BUNINVJGZCSEQU-WMLDXEAASA-N 1 2 336.395 2.434 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000346474970 161375643 /nfs/dbraw/zinc/37/56/43/161375643.db2.gz BUNINVJGZCSEQU-YOEHRIQHSA-N 1 2 336.395 2.434 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000346474970 161375644 /nfs/dbraw/zinc/37/56/44/161375644.db2.gz BUNINVJGZCSEQU-YOEHRIQHSA-N 1 2 336.395 2.434 20 30 EEEDLO N#Cc1ccc(C(=O)CNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000356153513 163351561 /nfs/dbraw/zinc/35/15/61/163351561.db2.gz MDINTJCCRHQKHK-GOSISDBHSA-N 1 2 333.391 2.132 20 30 EEEDLO N#Cc1ccc(C(=O)CNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000356153513 163351565 /nfs/dbraw/zinc/35/15/65/163351565.db2.gz MDINTJCCRHQKHK-GOSISDBHSA-N 1 2 333.391 2.132 20 30 EEEDLO N#Cc1ccc(C(=O)CNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000356156440 163352765 /nfs/dbraw/zinc/35/27/65/163352765.db2.gz QQQFEFFHAYJYEC-UHFFFAOYSA-N 1 2 330.347 2.357 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)Cc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000359176010 164076250 /nfs/dbraw/zinc/07/62/50/164076250.db2.gz NNJZUUCQMVHQFK-UHFFFAOYSA-N 1 2 329.303 2.291 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)[nH]1 ZINC000359242230 164092834 /nfs/dbraw/zinc/09/28/34/164092834.db2.gz VNJORNSTPYWCPN-UHFFFAOYSA-N 1 2 342.374 2.134 20 30 EEEDLO Cc1ccnc(NC[C@@H]2C[C@@H](F)C[N@H+]2Cc2cnn(C)c2)c1C#N ZINC000359662581 164147529 /nfs/dbraw/zinc/14/75/29/164147529.db2.gz ROLIQFOVARVBSQ-CABCVRRESA-N 1 2 328.395 2.020 20 30 EEEDLO Cc1ccnc(NC[C@@H]2C[C@@H](F)C[N@@H+]2Cc2cnn(C)c2)c1C#N ZINC000359662581 164147531 /nfs/dbraw/zinc/14/75/31/164147531.db2.gz ROLIQFOVARVBSQ-CABCVRRESA-N 1 2 328.395 2.020 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(O)cc3)CC2)cc1 ZINC000299283319 270018645 /nfs/dbraw/zinc/01/86/45/270018645.db2.gz WKLRFAODYVZLGD-UHFFFAOYSA-N 1 2 335.407 2.151 20 30 EEEDLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1c1ccccc1 ZINC000290354825 267049938 /nfs/dbraw/zinc/04/99/38/267049938.db2.gz QJPWDXFOJGXWLA-KDOFPFPSSA-N 1 2 341.436 2.420 20 30 EEEDLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1c1ccccc1 ZINC000290354825 267049939 /nfs/dbraw/zinc/04/99/39/267049939.db2.gz QJPWDXFOJGXWLA-KDOFPFPSSA-N 1 2 341.436 2.420 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(O)c1Cl ZINC000294467083 267241683 /nfs/dbraw/zinc/24/16/83/267241683.db2.gz ZGUAWAQVGYNBSQ-LBPRGKRZSA-N 1 2 343.818 2.418 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(O)c1Cl ZINC000294467083 267241685 /nfs/dbraw/zinc/24/16/85/267241685.db2.gz ZGUAWAQVGYNBSQ-LBPRGKRZSA-N 1 2 343.818 2.418 20 30 EEEDLO CSC1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000280009966 269321695 /nfs/dbraw/zinc/32/16/95/269321695.db2.gz LRMJOMVUZNJJIH-UHFFFAOYSA-N 1 2 344.484 2.281 20 30 EEEDLO Cc1oc(C#N)cc1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000280559942 269373084 /nfs/dbraw/zinc/37/30/84/269373084.db2.gz KFSGEJIFEVBQPO-UHFFFAOYSA-N 1 2 349.394 2.065 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000111123919 279513408 /nfs/dbraw/zinc/51/34/08/279513408.db2.gz LKGLAAPUAOVVCM-HXUWFJFHSA-N 1 2 349.434 2.232 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)no3)[C@@H]2CC)cc1 ZINC001087681678 782058524 /nfs/dbraw/zinc/05/85/24/782058524.db2.gz JKPXLBUGNTXPLT-DLBZAZTESA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)no3)[C@@H]2CC)cc1 ZINC001087681678 782058530 /nfs/dbraw/zinc/05/85/30/782058530.db2.gz JKPXLBUGNTXPLT-DLBZAZTESA-N 1 2 338.411 2.142 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)nc1 ZINC000171664234 311409778 /nfs/dbraw/zinc/40/97/78/311409778.db2.gz URJBKWXUBWBRRT-QPJJXVBHSA-N 1 2 332.407 2.424 20 30 EEEDLO N#Cc1ccc(CSCC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548311089 318374358 /nfs/dbraw/zinc/37/43/58/318374358.db2.gz YONFNLFQGGJZHH-HNNXBMFYSA-N 1 2 326.425 2.119 20 30 EEEDLO CC(C)CN1CC[N@H+](CCC(=O)Nc2sccc2C#N)[C@@H](C)C1=O ZINC000548628162 318399685 /nfs/dbraw/zinc/39/96/85/318399685.db2.gz JGEIMPGHWJWRQN-ZDUSSCGKSA-N 1 2 348.472 2.137 20 30 EEEDLO CC(C)CN1CC[N@@H+](CCC(=O)Nc2sccc2C#N)[C@@H](C)C1=O ZINC000548628162 318399686 /nfs/dbraw/zinc/39/96/86/318399686.db2.gz JGEIMPGHWJWRQN-ZDUSSCGKSA-N 1 2 348.472 2.137 20 30 EEEDLO CCn1cc[nH+]c1CNC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000566468394 319291836 /nfs/dbraw/zinc/29/18/36/319291836.db2.gz MAAFXXMGRGXPJW-UHFFFAOYSA-N 1 2 339.399 2.200 20 30 EEEDLO Cc1csc(NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1C#N ZINC000572375698 319840819 /nfs/dbraw/zinc/84/08/19/319840819.db2.gz UFVJHNGLBVFDJW-UHFFFAOYSA-N 1 2 330.417 2.001 20 30 EEEDLO Cc1csc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1C#N ZINC000575135036 320090342 /nfs/dbraw/zinc/09/03/42/320090342.db2.gz PZFPLLMUKANCOZ-CYBMUJFWSA-N 1 2 334.445 2.257 20 30 EEEDLO CC(C)COC(=O)N1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000092755951 462977787 /nfs/dbraw/zinc/97/77/87/462977787.db2.gz GWOGUYPTQQORDX-UHFFFAOYSA-N 1 2 341.415 2.116 20 30 EEEDLO CCc1ccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)nc1 ZINC000339052088 465053635 /nfs/dbraw/zinc/05/36/35/465053635.db2.gz CTTFCWTYLZPEMT-YWZLYKJASA-N 1 2 332.407 2.489 20 30 EEEDLO CCc1ccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)nc1 ZINC000339052088 465053638 /nfs/dbraw/zinc/05/36/38/465053638.db2.gz CTTFCWTYLZPEMT-YWZLYKJASA-N 1 2 332.407 2.489 20 30 EEEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@@H](C2CCOCC2)C1 ZINC000328823324 465139983 /nfs/dbraw/zinc/13/99/83/465139983.db2.gz IIUCZFDEYGRWLC-IAGOWNOFSA-N 1 2 344.459 2.323 20 30 EEEDLO O=C(NCc1cn2ccccc2[nH+]1)N[C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000328852940 465148522 /nfs/dbraw/zinc/14/85/22/465148522.db2.gz BVUUKSZOZCBZRV-XJKSGUPXSA-N 1 2 327.388 2.235 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)C1CC1 ZINC000329054122 465218478 /nfs/dbraw/zinc/21/84/78/465218478.db2.gz SBRQSROIHWTFBT-SJKOYZFVSA-N 1 2 329.404 2.385 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)C1CC1 ZINC000329054122 465218489 /nfs/dbraw/zinc/21/84/89/465218489.db2.gz SBRQSROIHWTFBT-SJKOYZFVSA-N 1 2 329.404 2.385 20 30 EEEDLO O=C(C[N@@H+]1CCO[C@]2(CCCOC2)C1)N[C@@H]1CCOc2ccccc21 ZINC000329095734 465231159 /nfs/dbraw/zinc/23/11/59/465231159.db2.gz XYRIGKDCKRPARY-VQIMIIECSA-N 1 2 346.427 2.348 20 30 EEEDLO O=C(C[N@H+]1CCO[C@]2(CCCOC2)C1)N[C@@H]1CCOc2ccccc21 ZINC000329095734 465231164 /nfs/dbraw/zinc/23/11/64/465231164.db2.gz XYRIGKDCKRPARY-VQIMIIECSA-N 1 2 346.427 2.348 20 30 EEEDLO COCc1ccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)o1 ZINC000355188497 465231279 /nfs/dbraw/zinc/23/12/79/465231279.db2.gz NOFIDODXPJZRJL-BFUOFWGJSA-N 1 2 337.379 2.271 20 30 EEEDLO COCc1ccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)o1 ZINC000355188497 465231286 /nfs/dbraw/zinc/23/12/86/465231286.db2.gz NOFIDODXPJZRJL-BFUOFWGJSA-N 1 2 337.379 2.271 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)N[C@H](C)Cc2ccccc2C)CC1 ZINC000341981720 465280569 /nfs/dbraw/zinc/28/05/69/465280569.db2.gz QTPLTYFTLFPXRU-QGZVFWFLSA-N 1 2 343.471 2.294 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000341981359 465280715 /nfs/dbraw/zinc/28/07/15/465280715.db2.gz BRKBLAYWWWOCAR-ZDUSSCGKSA-N 1 2 346.387 2.174 20 30 EEEDLO CCc1cnccc1[C@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000329310494 465296150 /nfs/dbraw/zinc/29/61/50/465296150.db2.gz ZLICCYQFMMNYEZ-YQQAZPJKSA-N 1 2 346.475 2.414 20 30 EEEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCC(O)(C(F)(F)F)CC1 ZINC000329370166 465312665 /nfs/dbraw/zinc/31/26/65/465312665.db2.gz JRFRVDCOXCXGGG-LLVKDONJSA-N 1 2 346.353 2.064 20 30 EEEDLO C#C[C@@H](NC(=O)[C@H](c1c[nH+]cn1C)N(C)C)c1ccc(Cl)cc1F ZINC000491094157 468298902 /nfs/dbraw/zinc/29/89/02/468298902.db2.gz HLSLELWFLHVTLK-ZBFHGGJFSA-N 1 2 348.809 2.306 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000128077820 462607385 /nfs/dbraw/zinc/60/73/85/462607385.db2.gz SOVZQFMSJGZLSY-KGLIPLIRSA-N 1 2 333.398 2.144 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000128077820 462607387 /nfs/dbraw/zinc/60/73/87/462607387.db2.gz SOVZQFMSJGZLSY-KGLIPLIRSA-N 1 2 333.398 2.144 20 30 EEEDLO C=C(C)CN(CC)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000045877089 462627024 /nfs/dbraw/zinc/62/70/24/462627024.db2.gz MEJCRELDCDZNGV-HNNXBMFYSA-N 1 2 332.448 2.414 20 30 EEEDLO CC(C)(C)CCNC(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000088524416 462635069 /nfs/dbraw/zinc/63/50/69/462635069.db2.gz HYFCLCLCUSJHDV-SFHVURJKSA-N 1 2 342.487 2.421 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(CCC(C)C)n2CCCOCC)CC1 ZINC000491156103 468310904 /nfs/dbraw/zinc/31/09/04/468310904.db2.gz XMVUROJKRILCMM-UHFFFAOYSA-N 1 2 347.507 2.049 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCc4ccsc4C3)C2=O)cc1 ZINC000535507826 468312755 /nfs/dbraw/zinc/31/27/55/468312755.db2.gz NAYQFCZPWBKJJM-OAHLLOKOSA-N 1 2 337.404 2.310 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CCc4ccsc4C3)C2=O)cc1 ZINC000535507826 468312758 /nfs/dbraw/zinc/31/27/58/468312758.db2.gz NAYQFCZPWBKJJM-OAHLLOKOSA-N 1 2 337.404 2.310 20 30 EEEDLO CC(C)(CNC(=O)N[C@H](CCC#N)c1ccccc1)[NH+]1CCOCC1 ZINC000131267572 462801878 /nfs/dbraw/zinc/80/18/78/462801878.db2.gz HFGWPRJWUVUBOR-QGZVFWFLSA-N 1 2 344.459 2.441 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117758243 462812262 /nfs/dbraw/zinc/81/22/62/462812262.db2.gz VJAPXPAGGMBGFN-JKSUJKDBSA-N 1 2 346.450 2.344 20 30 EEEDLO COc1ccccc1C[NH+]1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000076227475 462827849 /nfs/dbraw/zinc/82/78/49/462827849.db2.gz JHFFIBDMKXBQTC-UHFFFAOYSA-N 1 2 327.428 2.423 20 30 EEEDLO CCCC[C@@H](C(=O)OC)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000067226877 462979778 /nfs/dbraw/zinc/97/97/78/462979778.db2.gz CYNHWNSQUMWJTK-SFHVURJKSA-N 1 2 329.444 2.408 20 30 EEEDLO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](CC#N)C2CCCC2)cc1 ZINC000156684956 463056416 /nfs/dbraw/zinc/05/64/16/463056416.db2.gz TVXITQCINAWCQS-QGZVFWFLSA-N 1 2 331.416 2.153 20 30 EEEDLO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](CC#N)C2CCCC2)cc1 ZINC000156684956 463056420 /nfs/dbraw/zinc/05/64/20/463056420.db2.gz TVXITQCINAWCQS-QGZVFWFLSA-N 1 2 331.416 2.153 20 30 EEEDLO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023257873 463064339 /nfs/dbraw/zinc/06/43/39/463064339.db2.gz UGSTXELSNMOJQW-QGZVFWFLSA-N 1 2 340.471 2.077 20 30 EEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023257873 463064345 /nfs/dbraw/zinc/06/43/45/463064345.db2.gz UGSTXELSNMOJQW-QGZVFWFLSA-N 1 2 340.471 2.077 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000135056646 463112775 /nfs/dbraw/zinc/11/27/75/463112775.db2.gz SFRGXYYAFYVKDS-YLJYHZDGSA-N 1 2 346.471 2.173 20 30 EEEDLO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026327627 463159300 /nfs/dbraw/zinc/15/93/00/463159300.db2.gz PEHXFPPVLHMPEF-CQSZACIVSA-N 1 2 348.406 2.364 20 30 EEEDLO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026327627 463159304 /nfs/dbraw/zinc/15/93/04/463159304.db2.gz PEHXFPPVLHMPEF-CQSZACIVSA-N 1 2 348.406 2.364 20 30 EEEDLO N#CCC[C@@H](C#N)C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000028917365 463236559 /nfs/dbraw/zinc/23/65/59/463236559.db2.gz FEQMTXSQFWZMNO-HNNXBMFYSA-N 1 2 328.391 2.417 20 30 EEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000028917365 463236562 /nfs/dbraw/zinc/23/65/62/463236562.db2.gz FEQMTXSQFWZMNO-HNNXBMFYSA-N 1 2 328.391 2.417 20 30 EEEDLO N#Cc1c(F)cccc1N1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000029856434 463276082 /nfs/dbraw/zinc/27/60/82/463276082.db2.gz YZWJIBFCNHQCLJ-UHFFFAOYSA-N 1 2 344.434 2.268 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc(Cl)c1F ZINC000151227921 463497160 /nfs/dbraw/zinc/49/71/60/463497160.db2.gz HESKUGQNQGZJKU-UHFFFAOYSA-N 1 2 339.798 2.167 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000125256773 463523313 /nfs/dbraw/zinc/52/33/13/463523313.db2.gz AMSQYCWSBGQYGU-MRXNPFEDSA-N 1 2 349.438 2.098 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCCc2sccc21 ZINC000125486860 463550020 /nfs/dbraw/zinc/55/00/20/463550020.db2.gz RMDFYGBXQJKQTJ-MRXNPFEDSA-N 1 2 347.484 2.242 20 30 EEEDLO Cc1nc(N2CCN(C(=O)/C=C/c3cccc(C#N)c3)CC2)cc[nH+]1 ZINC000184953652 463724994 /nfs/dbraw/zinc/72/49/94/463724994.db2.gz DVSRBTGTLWCENA-AATRIKPKSA-N 1 2 333.395 2.019 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000287006420 463769766 /nfs/dbraw/zinc/76/97/66/463769766.db2.gz RDWCMHWAFIQBSZ-YOEHRIQHSA-N 1 2 340.464 2.448 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000287006420 463769770 /nfs/dbraw/zinc/76/97/70/463769770.db2.gz RDWCMHWAFIQBSZ-YOEHRIQHSA-N 1 2 340.464 2.448 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000177788737 463791821 /nfs/dbraw/zinc/79/18/21/463791821.db2.gz QUXWUQURESCIIU-QGZVFWFLSA-N 1 2 343.471 2.099 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000177788737 463791826 /nfs/dbraw/zinc/79/18/26/463791826.db2.gz QUXWUQURESCIIU-QGZVFWFLSA-N 1 2 343.471 2.099 20 30 EEEDLO N#CCCCCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000171728584 463915538 /nfs/dbraw/zinc/91/55/38/463915538.db2.gz HDJQSFMBWNPJPU-UHFFFAOYSA-N 1 2 330.432 2.012 20 30 EEEDLO N#CCc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000269290175 463943056 /nfs/dbraw/zinc/94/30/56/463943056.db2.gz AMIWLJXEDKLMDE-QGZVFWFLSA-N 1 2 328.416 2.081 20 30 EEEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](COC)c1cccc(Cl)c1F ZINC000287633044 463952028 /nfs/dbraw/zinc/95/20/28/463952028.db2.gz KLAWNXFQKAPXEZ-ZDUSSCGKSA-N 1 2 335.828 2.357 20 30 EEEDLO N#Cc1ccc([N+](=O)[O-])c(NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000186609174 464032252 /nfs/dbraw/zinc/03/22/52/464032252.db2.gz IPAQCXDIVYJBLY-UHFFFAOYSA-N 1 2 339.355 2.310 20 30 EEEDLO C=CCC[C@H](NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000283908972 464037648 /nfs/dbraw/zinc/03/76/48/464037648.db2.gz MIGIABLBMFBQCU-RDJZCZTQSA-N 1 2 340.427 2.212 20 30 EEEDLO N#Cc1ccnc(NCc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000283910552 464038494 /nfs/dbraw/zinc/03/84/94/464038494.db2.gz WPMVOPIEQAOAKE-UHFFFAOYSA-N 1 2 338.411 2.276 20 30 EEEDLO N#Cc1ccccc1N1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000195350432 464044714 /nfs/dbraw/zinc/04/47/14/464044714.db2.gz BAVTVHFFNPPTLI-UHFFFAOYSA-N 1 2 345.406 2.097 20 30 EEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1ccc(C#N)cc1 ZINC000289816927 464096382 /nfs/dbraw/zinc/09/63/82/464096382.db2.gz ZWCQTYAYMYDMBH-YJBOKZPZSA-N 1 2 327.407 2.341 20 30 EEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1ccc(C#N)cc1 ZINC000289816927 464096386 /nfs/dbraw/zinc/09/63/86/464096386.db2.gz ZWCQTYAYMYDMBH-YJBOKZPZSA-N 1 2 327.407 2.341 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)CCCCC1 ZINC000289870059 464099123 /nfs/dbraw/zinc/09/91/23/464099123.db2.gz LTIAMOBAWGAJHD-CQSZACIVSA-N 1 2 335.839 2.126 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)CCCCC1 ZINC000289870059 464099129 /nfs/dbraw/zinc/09/91/29/464099129.db2.gz LTIAMOBAWGAJHD-CQSZACIVSA-N 1 2 335.839 2.126 20 30 EEEDLO Cc1nc(C[NH+]2CCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)oc1C ZINC000290475688 464120928 /nfs/dbraw/zinc/12/09/28/464120928.db2.gz AUMIZCUUOSLRAT-UHFFFAOYSA-N 1 2 341.371 2.394 20 30 EEEDLO CC1=C(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCO1 ZINC000270027990 464164691 /nfs/dbraw/zinc/16/46/91/464164691.db2.gz CSETUIRPKHKLSI-UHFFFAOYSA-N 1 2 325.412 2.287 20 30 EEEDLO N#CC1(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCSCC1 ZINC000270161907 464204556 /nfs/dbraw/zinc/20/45/56/464204556.db2.gz UFWDDFSJBRIKMO-UHFFFAOYSA-N 1 2 326.425 2.451 20 30 EEEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)CCC1 ZINC000188755857 464362781 /nfs/dbraw/zinc/36/27/81/464362781.db2.gz GMHQCWQDOFMPAX-UHFFFAOYSA-N 1 2 341.455 2.176 20 30 EEEDLO CC(=O)Nc1cccc([C@H](C)NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329895067 465465229 /nfs/dbraw/zinc/46/52/29/465465229.db2.gz BOSCVTYHXTUBJI-ZLIFDBKOSA-N 1 2 346.431 2.284 20 30 EEEDLO CC(=O)Nc1cccc([C@H](C)NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329895067 465465234 /nfs/dbraw/zinc/46/52/34/465465234.db2.gz BOSCVTYHXTUBJI-ZLIFDBKOSA-N 1 2 346.431 2.284 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cc(C)ccc2C)C1=O ZINC000281251785 464386353 /nfs/dbraw/zinc/38/63/53/464386353.db2.gz GVLQPVOMRASMFQ-DOTOQJQBSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2cc(C)ccc2C)C1=O ZINC000281251785 464386358 /nfs/dbraw/zinc/38/63/58/464386358.db2.gz GVLQPVOMRASMFQ-DOTOQJQBSA-N 1 2 329.444 2.349 20 30 EEEDLO C[C@H]1C[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271873795 464397367 /nfs/dbraw/zinc/39/73/67/464397367.db2.gz OTOBJIAHOBYVRS-MAUKXSAKSA-N 1 2 327.428 2.018 20 30 EEEDLO CN1CC[N@H+](C)[C@H](CNC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000264724366 464438626 /nfs/dbraw/zinc/43/86/26/464438626.db2.gz PQQRZASZDCXAMJ-QGZVFWFLSA-N 1 2 348.450 2.201 20 30 EEEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000264724366 464438632 /nfs/dbraw/zinc/43/86/32/464438632.db2.gz PQQRZASZDCXAMJ-QGZVFWFLSA-N 1 2 348.450 2.201 20 30 EEEDLO C[C@H](CCC#N)n1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000591127286 468412951 /nfs/dbraw/zinc/41/29/51/468412951.db2.gz DUDKTFSPCZSJCS-GDBMZVCRSA-N 1 2 326.404 2.111 20 30 EEEDLO C[C@H](CCC#N)n1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000591127286 468412956 /nfs/dbraw/zinc/41/29/56/468412956.db2.gz DUDKTFSPCZSJCS-GDBMZVCRSA-N 1 2 326.404 2.111 20 30 EEEDLO CC[C@@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000272573867 464664274 /nfs/dbraw/zinc/66/42/74/464664274.db2.gz JZYLIFAEZBAZJI-RBUKOAKNSA-N 1 2 341.455 2.408 20 30 EEEDLO C#CC[N@@H+](CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)C1CC1 ZINC000274206794 464738802 /nfs/dbraw/zinc/73/88/02/464738802.db2.gz SKLYKIBTPWFOTH-UHFFFAOYSA-N 1 2 327.428 2.205 20 30 EEEDLO C#CC[N@H+](CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)C1CC1 ZINC000274206794 464738809 /nfs/dbraw/zinc/73/88/09/464738809.db2.gz SKLYKIBTPWFOTH-UHFFFAOYSA-N 1 2 327.428 2.205 20 30 EEEDLO C#CCCOc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000295317325 464785889 /nfs/dbraw/zinc/78/58/89/464785889.db2.gz PJDXPNQCLGYOGK-AEFFLSMTSA-N 1 2 342.439 2.024 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000248972257 464825551 /nfs/dbraw/zinc/82/55/51/464825551.db2.gz CUKJAYKWDJHPPM-LSDHHAIUSA-N 1 2 332.423 2.097 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000248972257 464825558 /nfs/dbraw/zinc/82/55/58/464825558.db2.gz CUKJAYKWDJHPPM-LSDHHAIUSA-N 1 2 332.423 2.097 20 30 EEEDLO Cc1cc(NC(=O)c2ccc(C#N)c(C)n2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000176807154 464857021 /nfs/dbraw/zinc/85/70/21/464857021.db2.gz VMMUMXHKNDOPGW-UHFFFAOYSA-N 1 2 347.382 2.415 20 30 EEEDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1C[C@]12CCOC2 ZINC000329654952 465398384 /nfs/dbraw/zinc/39/83/84/465398384.db2.gz LXLAOHILFVJMEF-AOIWGVFYSA-N 1 2 330.428 2.271 20 30 EEEDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1C[C@]12CCOC2 ZINC000329654952 465398386 /nfs/dbraw/zinc/39/83/86/465398386.db2.gz LXLAOHILFVJMEF-AOIWGVFYSA-N 1 2 330.428 2.271 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCc2noc3c2CCCC3)C1 ZINC000329715827 465413656 /nfs/dbraw/zinc/41/36/56/465413656.db2.gz VOYWSFYJZSQECM-LBPRGKRZSA-N 1 2 329.404 2.190 20 30 EEEDLO N#C[C@@H](NC(=O)CCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000337547438 465427692 /nfs/dbraw/zinc/42/76/92/465427692.db2.gz PIHOMCDSHJVSNI-CYBMUJFWSA-N 1 2 333.189 2.417 20 30 EEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)N[C@@H]1C=CCCC1 ZINC000329925752 465476520 /nfs/dbraw/zinc/47/65/20/465476520.db2.gz VRRJEDQMELOYJH-BBWFWOEESA-N 1 2 349.454 2.287 20 30 EEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)N[C@@H]1C=CCCC1 ZINC000329925752 465476525 /nfs/dbraw/zinc/47/65/25/465476525.db2.gz VRRJEDQMELOYJH-BBWFWOEESA-N 1 2 349.454 2.287 20 30 EEEDLO N#CCCN(Cc1ccccn1)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000343277320 465496594 /nfs/dbraw/zinc/49/65/94/465496594.db2.gz VZASRWPRZOXRHT-UHFFFAOYSA-N 1 2 336.386 2.301 20 30 EEEDLO O=C1OC[C@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CCN12 ZINC000359976282 465514221 /nfs/dbraw/zinc/51/42/21/465514221.db2.gz HBIJWZMDUGZLHQ-CYBMUJFWSA-N 1 2 340.301 2.073 20 30 EEEDLO O=C1OC[C@H]2C[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CCN12 ZINC000359976282 465514225 /nfs/dbraw/zinc/51/42/25/465514225.db2.gz HBIJWZMDUGZLHQ-CYBMUJFWSA-N 1 2 340.301 2.073 20 30 EEEDLO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352458611 465530033 /nfs/dbraw/zinc/53/00/33/465530033.db2.gz MWLGOEXLOWKEDC-CYBMUJFWSA-N 1 2 347.390 2.436 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000343659709 465540138 /nfs/dbraw/zinc/54/01/38/465540138.db2.gz DPJLGKVTXQJWDS-CBZIJGRNSA-N 1 2 329.444 2.251 20 30 EEEDLO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000330131365 465543653 /nfs/dbraw/zinc/54/36/53/465543653.db2.gz FPVFIBPNEQSSSM-CZUORRHYSA-N 1 2 348.447 2.092 20 30 EEEDLO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000330131365 465543658 /nfs/dbraw/zinc/54/36/58/465543658.db2.gz FPVFIBPNEQSSSM-CZUORRHYSA-N 1 2 348.447 2.092 20 30 EEEDLO CCN1CN(C(=O)Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)CC1=O ZINC000330143565 465547006 /nfs/dbraw/zinc/54/70/06/465547006.db2.gz ZAGXZJTZTUBCBG-AWEZNQCLSA-N 1 2 345.447 2.436 20 30 EEEDLO C=C(C)C[N@@H+](CCCS(=O)(=O)C(C)C)Cc1ccc(CO)o1 ZINC000352815012 465558310 /nfs/dbraw/zinc/55/83/10/465558310.db2.gz KQIQTUGXSMNKBC-UHFFFAOYSA-N 1 2 329.462 2.363 20 30 EEEDLO C=C(C)C[N@H+](CCCS(=O)(=O)C(C)C)Cc1ccc(CO)o1 ZINC000352815012 465558315 /nfs/dbraw/zinc/55/83/15/465558315.db2.gz KQIQTUGXSMNKBC-UHFFFAOYSA-N 1 2 329.462 2.363 20 30 EEEDLO CC(C)N(C)c1cnn([C@H]2CCC[N@H+](CC3(C#N)CC3)C2)c(=O)c1 ZINC000330186819 465561737 /nfs/dbraw/zinc/56/17/37/465561737.db2.gz SKNGOYRFEZXTNA-HNNXBMFYSA-N 1 2 329.448 2.029 20 30 EEEDLO CC(C)N(C)c1cnn([C@H]2CCC[N@@H+](CC3(C#N)CC3)C2)c(=O)c1 ZINC000330186819 465561740 /nfs/dbraw/zinc/56/17/40/465561740.db2.gz SKNGOYRFEZXTNA-HNNXBMFYSA-N 1 2 329.448 2.029 20 30 EEEDLO N#CC1(F)CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000343900103 465564437 /nfs/dbraw/zinc/56/44/37/465564437.db2.gz OPWPEZNQXOHLDF-UHFFFAOYSA-N 1 2 331.395 2.219 20 30 EEEDLO C=CC[N@@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1cccc(C#N)c1 ZINC000299296173 465685117 /nfs/dbraw/zinc/68/51/17/465685117.db2.gz BYCMQEPIALBRGQ-HZPDHXFCSA-N 1 2 327.428 2.182 20 30 EEEDLO C=CC[N@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1cccc(C#N)c1 ZINC000299296173 465685129 /nfs/dbraw/zinc/68/51/29/465685129.db2.gz BYCMQEPIALBRGQ-HZPDHXFCSA-N 1 2 327.428 2.182 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000348580260 465698550 /nfs/dbraw/zinc/69/85/50/465698550.db2.gz XUZOWXXRTKZPFY-JKDFXYPNSA-N 1 2 335.452 2.461 20 30 EEEDLO COC(=O)CC1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000330560500 465706323 /nfs/dbraw/zinc/70/63/23/465706323.db2.gz SEXPMPYGDFDWHF-GFCCVEGCSA-N 1 2 347.415 2.370 20 30 EEEDLO N#Cc1cccnc1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000299380696 465725557 /nfs/dbraw/zinc/72/55/57/465725557.db2.gz ZLETXTSBFTZYEE-UHFFFAOYSA-N 1 2 338.411 2.276 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000330684559 465761878 /nfs/dbraw/zinc/76/18/78/465761878.db2.gz SRMIBPXKOZTZTH-IMFGXOCKSA-N 1 2 343.471 2.373 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000330684559 465761886 /nfs/dbraw/zinc/76/18/86/465761886.db2.gz SRMIBPXKOZTZTH-IMFGXOCKSA-N 1 2 343.471 2.373 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000330684562 465761988 /nfs/dbraw/zinc/76/19/88/465761988.db2.gz SRMIBPXKOZTZTH-YVWKXTFCSA-N 1 2 343.471 2.373 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000330684562 465762001 /nfs/dbraw/zinc/76/20/01/465762001.db2.gz SRMIBPXKOZTZTH-YVWKXTFCSA-N 1 2 343.471 2.373 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000345767750 465901474 /nfs/dbraw/zinc/90/14/74/465901474.db2.gz HHKDJLVLPVWCDS-RBUKOAKNSA-N 1 2 343.471 2.354 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000372113895 466168262 /nfs/dbraw/zinc/16/82/62/466168262.db2.gz WJFJYYUFAWNWEM-MRXNPFEDSA-N 1 2 334.416 2.071 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000372113895 466168265 /nfs/dbraw/zinc/16/82/65/466168265.db2.gz WJFJYYUFAWNWEM-MRXNPFEDSA-N 1 2 334.416 2.071 20 30 EEEDLO Cn1nccc1[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000363095696 466216189 /nfs/dbraw/zinc/21/61/89/466216189.db2.gz NWKKOKXQFKWLAP-ZDUSSCGKSA-N 1 2 329.429 2.171 20 30 EEEDLO Cn1nccc1[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000363095696 466216192 /nfs/dbraw/zinc/21/61/92/466216192.db2.gz NWKKOKXQFKWLAP-ZDUSSCGKSA-N 1 2 329.429 2.171 20 30 EEEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000372611222 466506003 /nfs/dbraw/zinc/50/60/03/466506003.db2.gz JGJHDRGNTXMKHR-KBPBESRZSA-N 1 2 347.440 2.018 20 30 EEEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000372611222 466506009 /nfs/dbraw/zinc/50/60/09/466506009.db2.gz JGJHDRGNTXMKHR-KBPBESRZSA-N 1 2 347.440 2.018 20 30 EEEDLO CN(C(=O)C[N@@H+]1CCc2ccc(O)cc2C1)C1(C#N)CCCCC1 ZINC000332477103 466542239 /nfs/dbraw/zinc/54/22/39/466542239.db2.gz LMJWMASLUIIYET-UHFFFAOYSA-N 1 2 327.428 2.435 20 30 EEEDLO CN(C(=O)C[N@H+]1CCc2ccc(O)cc2C1)C1(C#N)CCCCC1 ZINC000332477103 466542250 /nfs/dbraw/zinc/54/22/50/466542250.db2.gz LMJWMASLUIIYET-UHFFFAOYSA-N 1 2 327.428 2.435 20 30 EEEDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000314577292 466552006 /nfs/dbraw/zinc/55/20/06/466552006.db2.gz NNAATSQGOCZORL-CYBMUJFWSA-N 1 2 326.849 2.468 20 30 EEEDLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000314577292 466552012 /nfs/dbraw/zinc/55/20/12/466552012.db2.gz NNAATSQGOCZORL-CYBMUJFWSA-N 1 2 326.849 2.468 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000364176683 466687306 /nfs/dbraw/zinc/68/73/06/466687306.db2.gz XNNFKOOJUHYNRA-CYBMUJFWSA-N 1 2 340.427 2.235 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000364176683 466687307 /nfs/dbraw/zinc/68/73/07/466687307.db2.gz XNNFKOOJUHYNRA-CYBMUJFWSA-N 1 2 340.427 2.235 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000411764741 466895772 /nfs/dbraw/zinc/89/57/72/466895772.db2.gz GIHOSFUHPOXQEZ-MRXNPFEDSA-N 1 2 331.391 2.183 20 30 EEEDLO C=CCn1cc(C[NH2+]Cc2c(C)nn(CC(C)C)c2OCC)nn1 ZINC000424175219 466996585 /nfs/dbraw/zinc/99/65/85/466996585.db2.gz TUJUHTDAYQWBLS-UHFFFAOYSA-N 1 2 332.452 2.314 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000424600485 467073943 /nfs/dbraw/zinc/07/39/43/467073943.db2.gz XBTFDDDXOJOPMV-UHFFFAOYSA-N 1 2 329.444 2.032 20 30 EEEDLO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000377836221 467149889 /nfs/dbraw/zinc/14/98/89/467149889.db2.gz ZURSECKRHCXANW-MRXNPFEDSA-N 1 2 332.400 2.133 20 30 EEEDLO COC(=O)C[C@@H]1COCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000377836221 467149891 /nfs/dbraw/zinc/14/98/91/467149891.db2.gz ZURSECKRHCXANW-MRXNPFEDSA-N 1 2 332.400 2.133 20 30 EEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000413243636 467195953 /nfs/dbraw/zinc/19/59/53/467195953.db2.gz DUMRMQYNKUBUSP-SJLPKXTDSA-N 1 2 331.460 2.194 20 30 EEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000413243636 467195955 /nfs/dbraw/zinc/19/59/55/467195955.db2.gz DUMRMQYNKUBUSP-SJLPKXTDSA-N 1 2 331.460 2.194 20 30 EEEDLO C[C@H](C(=O)NCC1(CC#N)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000435957208 467506525 /nfs/dbraw/zinc/50/65/25/467506525.db2.gz IUVYARNIUKQRPT-OAHLLOKOSA-N 1 2 344.434 2.146 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000437643567 467557047 /nfs/dbraw/zinc/55/70/47/467557047.db2.gz CBWAQCPZAJIDLG-HXUWFJFHSA-N 1 2 346.471 2.438 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000526058786 467648958 /nfs/dbraw/zinc/64/89/58/467648958.db2.gz DUDMFERGZIHXFB-OAHLLOKOSA-N 1 2 337.427 2.255 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000526058786 467648961 /nfs/dbraw/zinc/64/89/61/467648961.db2.gz DUDMFERGZIHXFB-OAHLLOKOSA-N 1 2 337.427 2.255 20 30 EEEDLO C=CCC[C@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)C(=O)OCC ZINC000456632116 467715049 /nfs/dbraw/zinc/71/50/49/467715049.db2.gz SZERWGIBKVNXMJ-DLBZAZTESA-N 1 2 330.428 2.275 20 30 EEEDLO C=CCC[C@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)C(=O)OCC ZINC000456632116 467715055 /nfs/dbraw/zinc/71/50/55/467715055.db2.gz SZERWGIBKVNXMJ-DLBZAZTESA-N 1 2 330.428 2.275 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)CCCC1 ZINC000450121628 467781122 /nfs/dbraw/zinc/78/11/22/467781122.db2.gz XBXONTWZMJKWSU-QGZVFWFLSA-N 1 2 336.476 2.073 20 30 EEEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457295112 467795634 /nfs/dbraw/zinc/79/56/34/467795634.db2.gz RCRFZEOTIKDFLN-LLVKDONJSA-N 1 2 330.413 2.482 20 30 EEEDLO C[C@H](Nc1ncc(Br)cc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000450311509 467823352 /nfs/dbraw/zinc/82/33/52/467823352.db2.gz HWAFDKKUJFEYIQ-QWRGUYRKSA-N 1 2 339.237 2.237 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1ccccc1Br ZINC000493163148 467853247 /nfs/dbraw/zinc/85/32/47/467853247.db2.gz UJLAWDAOZUJAHN-WHLNPGIBSA-N 1 2 336.233 2.422 20 30 EEEDLO Cn1c[nH+]c2cc(NS(=O)(=O)c3cccc(CC#N)c3)ccc21 ZINC000589585674 468164602 /nfs/dbraw/zinc/16/46/02/468164602.db2.gz LRZQCECKNPLFJI-UHFFFAOYSA-N 1 2 326.381 2.440 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1(C#N)CC1)c1ccc(F)cc1 ZINC000567487072 468171903 /nfs/dbraw/zinc/17/19/03/468171903.db2.gz WRJHACZBIXEQQI-CQSZACIVSA-N 1 2 327.363 2.252 20 30 EEEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000594303610 468548172 /nfs/dbraw/zinc/54/81/72/468548172.db2.gz ZDXNPYWPYQXEIX-QFBILLFUSA-N 1 2 341.455 2.060 20 30 EEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000594359910 468561628 /nfs/dbraw/zinc/56/16/28/468561628.db2.gz RFKSQEABKIWMDO-AWEZNQCLSA-N 1 2 326.400 2.135 20 30 EEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000594359910 468561631 /nfs/dbraw/zinc/56/16/31/468561631.db2.gz RFKSQEABKIWMDO-AWEZNQCLSA-N 1 2 326.400 2.135 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000557562727 468636241 /nfs/dbraw/zinc/63/62/41/468636241.db2.gz UYVQPYADNXPRKP-ZDUSSCGKSA-N 1 2 325.412 2.190 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000557562727 468636245 /nfs/dbraw/zinc/63/62/45/468636245.db2.gz UYVQPYADNXPRKP-ZDUSSCGKSA-N 1 2 325.412 2.190 20 30 EEEDLO COc1ccc(Br)cc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148351 468638658 /nfs/dbraw/zinc/63/86/58/468638658.db2.gz UJZBHCDNOZHEDJ-AWEZNQCLSA-N 1 2 325.206 2.308 20 30 EEEDLO COc1ccc(Br)cc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148351 468638659 /nfs/dbraw/zinc/63/86/59/468638659.db2.gz UJZBHCDNOZHEDJ-AWEZNQCLSA-N 1 2 325.206 2.308 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+]([C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000592150491 468640022 /nfs/dbraw/zinc/64/00/22/468640022.db2.gz FJYJMUJUBVEQDQ-DOTOQJQBSA-N 1 2 333.819 2.186 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+]([C@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000592150491 468640026 /nfs/dbraw/zinc/64/00/26/468640026.db2.gz FJYJMUJUBVEQDQ-DOTOQJQBSA-N 1 2 333.819 2.186 20 30 EEEDLO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)C1 ZINC000594659567 468645812 /nfs/dbraw/zinc/64/58/12/468645812.db2.gz FMBBDGPMALDKCJ-XHDPSFHLSA-N 1 2 333.338 2.222 20 30 EEEDLO N#CC[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)C1 ZINC000594659567 468645817 /nfs/dbraw/zinc/64/58/17/468645817.db2.gz FMBBDGPMALDKCJ-XHDPSFHLSA-N 1 2 333.338 2.222 20 30 EEEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592509458 468716243 /nfs/dbraw/zinc/71/62/43/468716243.db2.gz WNGORNPVJVCUQO-CQSZACIVSA-N 1 2 339.321 2.144 20 30 EEEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592509458 468716247 /nfs/dbraw/zinc/71/62/47/468716247.db2.gz WNGORNPVJVCUQO-CQSZACIVSA-N 1 2 339.321 2.144 20 30 EEEDLO CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000571408604 468784487 /nfs/dbraw/zinc/78/44/87/468784487.db2.gz VBPRJBSGWFSAPA-SJKOYZFVSA-N 1 2 348.472 2.086 20 30 EEEDLO COc1ccc(CN2CC[C@H]([N@@H+]3CCC[C@](C)(C#N)C3)C2=O)cc1 ZINC000595424357 468848437 /nfs/dbraw/zinc/84/84/37/468848437.db2.gz HSMHCKYVQUPVJD-PKOBYXMFSA-N 1 2 327.428 2.422 20 30 EEEDLO COc1ccc(CN2CC[C@H]([N@H+]3CCC[C@](C)(C#N)C3)C2=O)cc1 ZINC000595424357 468848444 /nfs/dbraw/zinc/84/84/44/468848444.db2.gz HSMHCKYVQUPVJD-PKOBYXMFSA-N 1 2 327.428 2.422 20 30 EEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCn2c[nH+]cc2C1 ZINC000595492101 468875062 /nfs/dbraw/zinc/87/50/62/468875062.db2.gz URLCTOUDYAGGKE-SWKXRBFHSA-N 1 2 329.448 2.018 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCCOc1cccc(C#N)c1 ZINC000593154262 468888347 /nfs/dbraw/zinc/88/83/47/468888347.db2.gz BHFUSYWLHQKWND-SFHVURJKSA-N 1 2 328.416 2.067 20 30 EEEDLO CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595610186 468921945 /nfs/dbraw/zinc/92/19/45/468921945.db2.gz SVSBFAKHHNFZMB-GFCCVEGCSA-N 1 2 335.429 2.489 20 30 EEEDLO CCOC(=O)c1ccsc1NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595610186 468921947 /nfs/dbraw/zinc/92/19/47/468921947.db2.gz SVSBFAKHHNFZMB-GFCCVEGCSA-N 1 2 335.429 2.489 20 30 EEEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000595610465 468922584 /nfs/dbraw/zinc/92/25/84/468922584.db2.gz ZDSKYOFKZRVBRV-OAHLLOKOSA-N 1 2 340.427 2.378 20 30 EEEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000595610465 468922590 /nfs/dbraw/zinc/92/25/90/468922590.db2.gz ZDSKYOFKZRVBRV-OAHLLOKOSA-N 1 2 340.427 2.378 20 30 EEEDLO N#Cc1csc(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)c1 ZINC000601728942 468989145 /nfs/dbraw/zinc/98/91/45/468989145.db2.gz NHBJQNMKGSVADR-UHFFFAOYSA-N 1 2 327.409 2.283 20 30 EEEDLO C[C@@H]1[C@@H](C)[N@H+](Cc2ccc(C#N)cn2)CCN1Cc1ccc(C#N)cn1 ZINC000595888236 469064678 /nfs/dbraw/zinc/06/46/78/469064678.db2.gz WQOMXLPOHMWLEN-HZPDHXFCSA-N 1 2 346.438 2.315 20 30 EEEDLO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccc(C#N)cn2)CCN1Cc1ccc(C#N)cn1 ZINC000595888236 469064683 /nfs/dbraw/zinc/06/46/83/469064683.db2.gz WQOMXLPOHMWLEN-HZPDHXFCSA-N 1 2 346.438 2.315 20 30 EEEDLO CCOc1ccc(N2CC[NH+](Cc3cccc(C#N)c3F)CC2)nn1 ZINC000595892506 469067177 /nfs/dbraw/zinc/06/71/77/469067177.db2.gz RGTMXTKOKBFJNR-UHFFFAOYSA-N 1 2 341.390 2.208 20 30 EEEDLO COCCc1ccc(OC[C@H](O)C[N@H+](C)CCC#N)c(Cl)c1 ZINC000601963603 469115768 /nfs/dbraw/zinc/11/57/68/469115768.db2.gz KWSAWRSSMQGCNN-CQSZACIVSA-N 1 2 326.824 2.114 20 30 EEEDLO COCCc1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)c(Cl)c1 ZINC000601963603 469115775 /nfs/dbraw/zinc/11/57/75/469115775.db2.gz KWSAWRSSMQGCNN-CQSZACIVSA-N 1 2 326.824 2.114 20 30 EEEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000602869800 469131327 /nfs/dbraw/zinc/13/13/27/469131327.db2.gz PCAZCLRGSQDPRV-SECBINFHSA-N 1 2 343.168 2.121 20 30 EEEDLO Cc1oncc1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1cc(C)ncc1C#N ZINC000563018500 469137750 /nfs/dbraw/zinc/13/77/50/469137750.db2.gz JLXQYPAZEXXXIO-HOTGVXAUSA-N 1 2 329.379 2.005 20 30 EEEDLO Cc1oncc1C[N@H+]1C[C@@H](F)C[C@H]1CNc1cc(C)ncc1C#N ZINC000563018500 469137753 /nfs/dbraw/zinc/13/77/53/469137753.db2.gz JLXQYPAZEXXXIO-HOTGVXAUSA-N 1 2 329.379 2.005 20 30 EEEDLO Cc1cccc([C@@H]2C[C@H]2C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000599230261 469170544 /nfs/dbraw/zinc/17/05/44/469170544.db2.gz OJJUBZAFMQBGDT-RBUKOAKNSA-N 1 2 341.455 2.173 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CCC1 ZINC000615227712 469185036 /nfs/dbraw/zinc/18/50/36/469185036.db2.gz IOURJZDFFZHWJD-DTORHVGOSA-N 1 2 343.271 2.221 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CCC1 ZINC000615227712 469185039 /nfs/dbraw/zinc/18/50/39/469185039.db2.gz IOURJZDFFZHWJD-DTORHVGOSA-N 1 2 343.271 2.221 20 30 EEEDLO C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000611179542 469185009 /nfs/dbraw/zinc/18/50/09/469185009.db2.gz RHIODGGEYJPOEE-RYUDHWBXSA-N 1 2 333.457 2.282 20 30 EEEDLO C[C@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000611179542 469185015 /nfs/dbraw/zinc/18/50/15/469185015.db2.gz RHIODGGEYJPOEE-RYUDHWBXSA-N 1 2 333.457 2.282 20 30 EEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000563364244 469236019 /nfs/dbraw/zinc/23/60/19/469236019.db2.gz GRFGPJHNRAMBOB-KBPBESRZSA-N 1 2 333.432 2.471 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3nc4c(s3)CCC4)CC2)nc1 ZINC000611410619 469243505 /nfs/dbraw/zinc/24/35/05/469243505.db2.gz PHJGOEKZXZBOJG-UHFFFAOYSA-N 1 2 325.441 2.221 20 30 EEEDLO Cc1[nH+]c2ccccc2n1Cc1cn(C[C@H](O)CC(C)(C)C#N)nn1 ZINC000603267272 469329675 /nfs/dbraw/zinc/32/96/75/469329675.db2.gz NWLPAOYLSWSOQF-OAHLLOKOSA-N 1 2 338.415 2.285 20 30 EEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000619364533 469591237 /nfs/dbraw/zinc/59/12/37/469591237.db2.gz CHAKOIUQSAQWDO-HXUWFJFHSA-N 1 2 344.418 2.373 20 30 EEEDLO Cn1c[nH+]cc1CCC(=O)N[C@H](C#N)c1ccccc1Br ZINC000619436298 469604927 /nfs/dbraw/zinc/60/49/27/469604927.db2.gz SUAJFKWXLGJAMW-CQSZACIVSA-N 1 2 347.216 2.496 20 30 EEEDLO C=C[C@H](C(=O)OC)N1CC[NH+](Cc2cc(Cl)ccc2OC)CC1 ZINC000619715813 469668666 /nfs/dbraw/zinc/66/86/66/469668666.db2.gz SYCUIRSDFFNYIH-OAHLLOKOSA-N 1 2 338.835 2.194 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1 ZINC000609355055 469922826 /nfs/dbraw/zinc/92/28/26/469922826.db2.gz YIGCXSAFFYEVLV-IBGZPJMESA-N 1 2 348.406 2.212 20 30 EEEDLO Cc1csc([C@@H](C)[NH2+]CC#CCN2C(=O)c3ccccc3C2=O)n1 ZINC000625322128 470118883 /nfs/dbraw/zinc/11/88/83/470118883.db2.gz SEVOICYJWKSPAX-CYBMUJFWSA-N 1 2 339.420 2.402 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000640110320 470789968 /nfs/dbraw/zinc/78/99/68/470789968.db2.gz LTKRJFXVRFQBNM-QGZVFWFLSA-N 1 2 343.471 2.099 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(O)cc2)CC1 ZINC000640110320 470789970 /nfs/dbraw/zinc/78/99/70/470789970.db2.gz LTKRJFXVRFQBNM-QGZVFWFLSA-N 1 2 343.471 2.099 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2cccc(Cl)c2)nn1 ZINC000640783797 471027444 /nfs/dbraw/zinc/02/74/44/471027444.db2.gz VJBNNLVHZIEXLL-LBPRGKRZSA-N 1 2 331.807 2.244 20 30 EEEDLO COCC#CC[N@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000644781159 471038042 /nfs/dbraw/zinc/03/80/42/471038042.db2.gz VFZQSUIONUUKCX-UHFFFAOYSA-N 1 2 336.435 2.474 20 30 EEEDLO COCC#CC[N@@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000644781159 471038048 /nfs/dbraw/zinc/03/80/48/471038048.db2.gz VFZQSUIONUUKCX-UHFFFAOYSA-N 1 2 336.435 2.474 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(OC(F)F)c(OC)c2)nn1 ZINC000640858632 471073145 /nfs/dbraw/zinc/07/31/45/471073145.db2.gz WJJRFECDWJOKDT-UHFFFAOYSA-N 1 2 336.342 2.049 20 30 EEEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2cccc(C(C)C)c2)nn1 ZINC000640894738 471100702 /nfs/dbraw/zinc/10/07/02/471100702.db2.gz AYRHIXXMVRQWQY-UHFFFAOYSA-N 1 2 325.416 2.153 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2cccc3ncccc32)nn1 ZINC000640914882 471117295 /nfs/dbraw/zinc/11/72/95/471117295.db2.gz REZUXWIEUMJYLS-AWEZNQCLSA-N 1 2 348.410 2.139 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)C(C)(C)C ZINC000661760237 471875805 /nfs/dbraw/zinc/87/58/05/471875805.db2.gz OHJVUZSVZTUEMP-UHFFFAOYSA-N 1 2 342.436 2.454 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)C(C)(C)C ZINC000661760237 471875808 /nfs/dbraw/zinc/87/58/08/471875808.db2.gz OHJVUZSVZTUEMP-UHFFFAOYSA-N 1 2 342.436 2.454 20 30 EEEDLO CCC#C[C@@H](C)[NH+]1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000680387987 485959401 /nfs/dbraw/zinc/95/94/01/485959401.db2.gz FJAXBMFKSHBXJL-RHSMWYFYSA-N 1 2 333.863 2.286 20 30 EEEDLO COc1ccc(Cl)c(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000192054491 533818593 /nfs/dbraw/zinc/81/85/93/533818593.db2.gz XJXTZUMBOSHFCA-UHFFFAOYSA-N 1 2 337.851 2.396 20 30 EEEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCCC2(O)CC2)cc1 ZINC000492136778 534892773 /nfs/dbraw/zinc/89/27/73/534892773.db2.gz SWSCGCKGGSDKEQ-UHFFFAOYSA-N 1 2 349.431 2.263 20 30 EEEDLO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361070 526332538 /nfs/dbraw/zinc/33/25/38/526332538.db2.gz RBPOUSFXIXVXNI-CQSZACIVSA-N 1 2 335.429 2.153 20 30 EEEDLO C=CC[N@H+](Cc1c[nH]nc1-c1ccc(C)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361070 526332542 /nfs/dbraw/zinc/33/25/42/526332542.db2.gz RBPOUSFXIXVXNI-CQSZACIVSA-N 1 2 335.429 2.153 20 30 EEEDLO C=CCc1cc(C[N@@H+](CC)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1O ZINC000179597054 527236983 /nfs/dbraw/zinc/23/69/83/527236983.db2.gz KGIKJVKOFMKRRW-OAHLLOKOSA-N 1 2 339.457 2.138 20 30 EEEDLO C=CCc1cc(C[N@H+](CC)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1O ZINC000179597054 527236989 /nfs/dbraw/zinc/23/69/89/527236989.db2.gz KGIKJVKOFMKRRW-OAHLLOKOSA-N 1 2 339.457 2.138 20 30 EEEDLO C=CCCOCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179490112 527363954 /nfs/dbraw/zinc/36/39/54/527363954.db2.gz ALZCBLZLUHYOPP-UHFFFAOYSA-N 1 2 330.344 2.103 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000730274005 577014312 /nfs/dbraw/zinc/01/43/12/577014312.db2.gz IZCYAQKKFAEWTF-LBPRGKRZSA-N 1 2 343.408 2.104 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000730274005 577014313 /nfs/dbraw/zinc/01/43/13/577014313.db2.gz IZCYAQKKFAEWTF-LBPRGKRZSA-N 1 2 343.408 2.104 20 30 EEEDLO C=C(C)CN(CC)C(=O)COC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000731914182 577133960 /nfs/dbraw/zinc/13/39/60/577133960.db2.gz ASOVKYQTDJBTSR-UHFFFAOYSA-N 1 2 329.400 2.153 20 30 EEEDLO C=CC[N@@H+](CN1C(=O)C(=O)N([C@@H](C)c2ccccc2)C1=O)C1CC1 ZINC000771640744 577223112 /nfs/dbraw/zinc/22/31/12/577223112.db2.gz JPRTWEDPQZOZAG-ZDUSSCGKSA-N 1 2 327.384 2.146 20 30 EEEDLO C=CC[N@H+](CN1C(=O)C(=O)N([C@@H](C)c2ccccc2)C1=O)C1CC1 ZINC000771640744 577223113 /nfs/dbraw/zinc/22/31/13/577223113.db2.gz JPRTWEDPQZOZAG-ZDUSSCGKSA-N 1 2 327.384 2.146 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767613763 577541263 /nfs/dbraw/zinc/54/12/63/577541263.db2.gz SRHOTLUEXHDSNS-IYBDPMFKSA-N 1 2 347.411 2.280 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767613763 577541264 /nfs/dbraw/zinc/54/12/64/577541264.db2.gz SRHOTLUEXHDSNS-IYBDPMFKSA-N 1 2 347.411 2.280 20 30 EEEDLO N#Cc1cccn(CN2CCC(CCCn3cc[nH+]c3)CC2)c1=O ZINC000758251335 577620159 /nfs/dbraw/zinc/62/01/59/577620159.db2.gz ZCSUMAPUAHOYTM-UHFFFAOYSA-N 1 2 325.416 2.066 20 30 EEEDLO C#CCCCCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000758680223 577629497 /nfs/dbraw/zinc/62/94/97/577629497.db2.gz AOCKWPMHRLTCSR-IBGZPJMESA-N 1 2 343.471 2.471 20 30 EEEDLO COc1ccc(N[NH+]=Cc2c(OC)nc(N)nc2N2CCCC2)cc1 ZINC000750946321 577745770 /nfs/dbraw/zinc/74/57/70/577745770.db2.gz PBHQEQULMAZOSK-UHFFFAOYSA-N 1 2 342.403 2.122 20 30 EEEDLO C#CCOCCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000752503206 577771901 /nfs/dbraw/zinc/77/19/01/577771901.db2.gz ZOVOBKDIZQLNGU-HZPDHXFCSA-N 1 2 345.443 2.067 20 30 EEEDLO C[C@H]1CCC(=NNC(=S)NCC[NH+]2CCOCC2)c2ccccc21 ZINC000752717982 577774967 /nfs/dbraw/zinc/77/49/67/577774967.db2.gz HLUJXDULLBDDOD-AWEZNQCLSA-N 1 2 346.500 2.084 20 30 EEEDLO Cc1cccc2[nH+]cc(CN=Nc3ccccc3S(C)(=O)=O)n21 ZINC000755725884 577830029 /nfs/dbraw/zinc/83/00/29/577830029.db2.gz JSUFIMVSKDKDHV-UHFFFAOYSA-N 1 2 328.397 2.492 20 30 EEEDLO CC(=NNc1[nH]cnc2ncnc1-2)c1cccc(OCC[NH+](C)C)c1 ZINC000743531333 577886753 /nfs/dbraw/zinc/88/67/53/577886753.db2.gz QWPVSQWWDIWALD-UHFFFAOYSA-N 1 2 339.403 2.129 20 30 EEEDLO C=C(Cl)C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000747812054 577950473 /nfs/dbraw/zinc/95/04/73/577950473.db2.gz PWPFCLPKKZPYTR-JTQLQIEISA-N 1 2 338.260 2.047 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C)c(C(F)(F)F)c2)CC1 ZINC000749990092 577985325 /nfs/dbraw/zinc/98/53/25/577985325.db2.gz LVHVDHAJPIMCQY-UHFFFAOYSA-N 1 2 339.361 2.203 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nncs3)C2)cc1 ZINC000969119850 674595935 /nfs/dbraw/zinc/59/59/35/674595935.db2.gz WGZOQXPDUOPPEP-CQSZACIVSA-N 1 2 344.440 2.107 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3noc(C(C)C)n3)C2)cc1 ZINC001020456582 674828711 /nfs/dbraw/zinc/82/87/11/674828711.db2.gz WUCUIAORBFLKBN-WKILWMFISA-N 1 2 338.411 2.225 20 30 EEEDLO C[C@H](NC(=O)c1cccn1C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969319523 674836171 /nfs/dbraw/zinc/83/61/71/674836171.db2.gz FCLLUBVRPQHXQQ-ZDUSSCGKSA-N 1 2 340.402 2.286 20 30 EEEDLO C[C@H](NC(=O)c1cscn1)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000969397039 674944876 /nfs/dbraw/zinc/94/48/76/674944876.db2.gz ZVZWVSXMIUWINE-ZDUSSCGKSA-N 1 2 343.427 2.384 20 30 EEEDLO C[C@@H](NC(=O)c1nccs1)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000970637169 676041159 /nfs/dbraw/zinc/04/11/59/676041159.db2.gz PQZHQDWMIFMNAE-LLVKDONJSA-N 1 2 344.415 2.404 20 30 EEEDLO CCn1cnc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3C#N)C2)c1 ZINC000970753004 676126367 /nfs/dbraw/zinc/12/63/67/676126367.db2.gz WXBJEASBTHYFJR-AWEZNQCLSA-N 1 2 337.427 2.025 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000970789264 676152849 /nfs/dbraw/zinc/15/28/49/676152849.db2.gz LMNYXWWEMINMGK-GFCCVEGCSA-N 1 2 335.835 2.448 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000970868407 676206916 /nfs/dbraw/zinc/20/69/16/676206916.db2.gz KBZYLBSPMLFPOZ-LBPRGKRZSA-N 1 2 336.819 2.260 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H](C)C1C[NH+](Cc2cncc(F)c2)C1 ZINC000969840985 675241788 /nfs/dbraw/zinc/24/17/88/675241788.db2.gz FBVIJJLWEYUYSE-AWEZNQCLSA-N 1 2 342.418 2.459 20 30 EEEDLO C[C@H](NC(=O)c1ccsn1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969931118 675319094 /nfs/dbraw/zinc/31/90/94/675319094.db2.gz IBNVIDPUXJAINS-NSHDSACASA-N 1 2 344.415 2.404 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2noc(C)n2)C1 ZINC001020714153 675437611 /nfs/dbraw/zinc/43/76/11/675437611.db2.gz NCKOTWVHYRRAHN-YDMUCJKGSA-N 1 2 348.447 2.047 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CC2(C)C)cc1C#N ZINC001038178014 675580356 /nfs/dbraw/zinc/58/03/56/675580356.db2.gz WBRLJIFHKOJBHW-CVEARBPZSA-N 1 2 327.428 2.303 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CC2(C)C)cc1C#N ZINC001038178014 675580357 /nfs/dbraw/zinc/58/03/57/675580357.db2.gz WBRLJIFHKOJBHW-CVEARBPZSA-N 1 2 327.428 2.303 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2CCN(CC(F)F)CC2)C1 ZINC000970331727 675792864 /nfs/dbraw/zinc/79/28/64/675792864.db2.gz LPWIQKCAFKBQSC-GFCCVEGCSA-N 1 2 349.853 2.153 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccsc3Cl)CC2)C1 ZINC000949487735 676426054 /nfs/dbraw/zinc/42/60/54/676426054.db2.gz XZSUMOXWXYICIJ-UHFFFAOYSA-N 1 2 338.860 2.342 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccsc3Cl)CC2)C1 ZINC000949487735 676426057 /nfs/dbraw/zinc/42/60/57/676426057.db2.gz XZSUMOXWXYICIJ-UHFFFAOYSA-N 1 2 338.860 2.342 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@H]2CCCOC2)C1 ZINC000971175403 676427308 /nfs/dbraw/zinc/42/73/08/676427308.db2.gz DZIPUEHBZGJCJP-MAUKXSAKSA-N 1 2 345.418 2.157 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@H]2CCCOC2)C1 ZINC000971175403 676427309 /nfs/dbraw/zinc/42/73/09/676427309.db2.gz DZIPUEHBZGJCJP-MAUKXSAKSA-N 1 2 345.418 2.157 20 30 EEEDLO Cn1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3cc(F)ccc3C#N)C2)c1 ZINC000971338530 676490765 /nfs/dbraw/zinc/49/07/65/676490765.db2.gz WFPZKOXSGBNRPV-SFHVURJKSA-N 1 2 340.402 2.382 20 30 EEEDLO Cn1ccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3cc(F)ccc3C#N)C2)c1 ZINC000971338530 676490766 /nfs/dbraw/zinc/49/07/66/676490766.db2.gz WFPZKOXSGBNRPV-SFHVURJKSA-N 1 2 340.402 2.382 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccc(C)s3)C2)C1 ZINC000972705143 679697434 /nfs/dbraw/zinc/69/74/34/679697434.db2.gz QYOONHXWLVXAMV-SFHVURJKSA-N 1 2 334.485 2.478 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccc(C)s3)C2)C1 ZINC000972705143 679697435 /nfs/dbraw/zinc/69/74/35/679697435.db2.gz QYOONHXWLVXAMV-SFHVURJKSA-N 1 2 334.485 2.478 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC000972041359 676903116 /nfs/dbraw/zinc/90/31/16/676903116.db2.gz FHPKXXKUZGVCQF-OAHLLOKOSA-N 1 2 328.347 2.032 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC000972041359 676903119 /nfs/dbraw/zinc/90/31/19/676903119.db2.gz FHPKXXKUZGVCQF-OAHLLOKOSA-N 1 2 328.347 2.032 20 30 EEEDLO Cc1cc(C[N@@H+]2CCO[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)cs1 ZINC000972382567 678631665 /nfs/dbraw/zinc/63/16/65/678631665.db2.gz ROGGQKLARIJDKS-LJQANCHMSA-N 1 2 344.480 2.273 20 30 EEEDLO Cc1cc(C[N@H+]2CCO[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)cs1 ZINC000972382567 678631666 /nfs/dbraw/zinc/63/16/66/678631666.db2.gz ROGGQKLARIJDKS-LJQANCHMSA-N 1 2 344.480 2.273 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnc(CCC)c3)C2)C1 ZINC000972419807 678715459 /nfs/dbraw/zinc/71/54/59/678715459.db2.gz JOSWUOALMYQRFV-LJQANCHMSA-N 1 2 329.444 2.137 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnc(CCC)c3)C2)C1 ZINC000972419807 678715462 /nfs/dbraw/zinc/71/54/62/678715462.db2.gz JOSWUOALMYQRFV-LJQANCHMSA-N 1 2 329.444 2.137 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCCC3(F)F)C2)C1 ZINC000972480527 678847930 /nfs/dbraw/zinc/84/79/30/678847930.db2.gz NZSMWKSYBAWYMQ-NVXWUHKLSA-N 1 2 340.414 2.139 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCCC3(F)F)C2)C1 ZINC000972480527 678847932 /nfs/dbraw/zinc/84/79/32/678847932.db2.gz NZSMWKSYBAWYMQ-NVXWUHKLSA-N 1 2 340.414 2.139 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(C4CCC4)CCC3)C2)C1 ZINC000972488387 678880989 /nfs/dbraw/zinc/88/09/89/678880989.db2.gz WLDKVRFDGAMJNU-IBGZPJMESA-N 1 2 330.472 2.283 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(C4CCC4)CCC3)C2)C1 ZINC000972488387 678880992 /nfs/dbraw/zinc/88/09/92/678880992.db2.gz WLDKVRFDGAMJNU-IBGZPJMESA-N 1 2 330.472 2.283 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cccc(C)c3)C2)C1 ZINC000972488176 678882010 /nfs/dbraw/zinc/88/20/10/678882010.db2.gz SEQAPKISBLNCHZ-FQEVSTJZSA-N 1 2 328.456 2.417 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cccc(C)c3)C2)C1 ZINC000972488176 678882013 /nfs/dbraw/zinc/88/20/13/678882013.db2.gz SEQAPKISBLNCHZ-FQEVSTJZSA-N 1 2 328.456 2.417 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H](CNC(=O)c2cnco2)C1 ZINC001023515885 679350765 /nfs/dbraw/zinc/35/07/65/679350765.db2.gz ITIJCEYOOOBCCO-LLVKDONJSA-N 1 2 328.210 2.025 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)OC3CCCC3)C2)C1 ZINC000972577846 679341815 /nfs/dbraw/zinc/34/18/15/679341815.db2.gz PBTYVWGWGLYLRK-QUCCMNQESA-N 1 2 348.487 2.051 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)OC3CCCC3)C2)C1 ZINC000972577846 679341818 /nfs/dbraw/zinc/34/18/18/679341818.db2.gz PBTYVWGWGLYLRK-QUCCMNQESA-N 1 2 348.487 2.051 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H](CNC(=O)c2cnco2)C1 ZINC001023515885 679350764 /nfs/dbraw/zinc/35/07/64/679350764.db2.gz ITIJCEYOOOBCCO-LLVKDONJSA-N 1 2 328.210 2.025 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4ccccn4c3)C2)C1 ZINC000972582076 679351030 /nfs/dbraw/zinc/35/10/30/679351030.db2.gz LZQQIZVEDDXDJE-LJQANCHMSA-N 1 2 325.412 2.042 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4ccccn4c3)C2)C1 ZINC000972582076 679351033 /nfs/dbraw/zinc/35/10/33/679351033.db2.gz LZQQIZVEDDXDJE-LJQANCHMSA-N 1 2 325.412 2.042 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4c(s3)CCC4)C2)C1 ZINC000972665140 679540606 /nfs/dbraw/zinc/54/06/06/679540606.db2.gz UBAYDIQAWXKLJL-LJQANCHMSA-N 1 2 344.480 2.177 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4c(s3)CCC4)C2)C1 ZINC000972665140 679540609 /nfs/dbraw/zinc/54/06/09/679540609.db2.gz UBAYDIQAWXKLJL-LJQANCHMSA-N 1 2 344.480 2.177 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001058572004 679816977 /nfs/dbraw/zinc/81/69/77/679816977.db2.gz WIKCVUIAHBMGCJ-IKGGRYGDSA-N 1 2 344.459 2.078 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)cnn1 ZINC001024412491 679905291 /nfs/dbraw/zinc/90/52/91/679905291.db2.gz HWXAPCCCVSUBQP-LJQANCHMSA-N 1 2 349.438 2.441 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)cnn1 ZINC001024412491 679905292 /nfs/dbraw/zinc/90/52/92/679905292.db2.gz HWXAPCCCVSUBQP-LJQANCHMSA-N 1 2 349.438 2.441 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(C(C)(C)C)nn1 ZINC001024473229 679946714 /nfs/dbraw/zinc/94/67/14/679946714.db2.gz FEVXHONZEZRSEQ-CYBMUJFWSA-N 1 2 339.871 2.370 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(C(C)(C)C)nn1 ZINC001024473229 679946711 /nfs/dbraw/zinc/94/67/11/679946711.db2.gz FEVXHONZEZRSEQ-CYBMUJFWSA-N 1 2 339.871 2.370 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2cnco2)c(F)c1 ZINC001024583486 681234388 /nfs/dbraw/zinc/23/43/88/681234388.db2.gz MCNOBUJIZGEPOH-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2cnco2)c(F)c1 ZINC001024583486 681234390 /nfs/dbraw/zinc/23/43/90/681234390.db2.gz MCNOBUJIZGEPOH-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2cnco2)c1 ZINC001024584758 681237498 /nfs/dbraw/zinc/23/74/98/681237498.db2.gz ZKASXTURWYMQCI-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2CNC(=O)c2cnco2)c1 ZINC001024584758 681237504 /nfs/dbraw/zinc/23/75/04/681237504.db2.gz ZKASXTURWYMQCI-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO C[C@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000982824423 681334721 /nfs/dbraw/zinc/33/47/21/681334721.db2.gz IXDNTAWUOOBKDU-PBHICJAKSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000982824423 681334723 /nfs/dbraw/zinc/33/47/23/681334723.db2.gz IXDNTAWUOOBKDU-PBHICJAKSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@]1(C(=O)N2CCC[N@H+](Cc3ccccc3C#N)CC2)CCOC1 ZINC000982872319 681444140 /nfs/dbraw/zinc/44/41/40/681444140.db2.gz SYNZNEZPINFVBZ-LJQANCHMSA-N 1 2 327.428 2.019 20 30 EEEDLO C[C@@]1(C(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)CCOC1 ZINC000982872319 681444141 /nfs/dbraw/zinc/44/41/41/681444141.db2.gz SYNZNEZPINFVBZ-LJQANCHMSA-N 1 2 327.428 2.019 20 30 EEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](Nc2cccc(F)c2C#N)C1 ZINC001059088201 681778868 /nfs/dbraw/zinc/77/88/68/681778868.db2.gz SOJXCXNOKSUZJI-STQMWFEESA-N 1 2 341.390 2.312 20 30 EEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](Nc2cccc(F)c2C#N)C1 ZINC001059088201 681778875 /nfs/dbraw/zinc/77/88/75/681778875.db2.gz SOJXCXNOKSUZJI-STQMWFEESA-N 1 2 341.390 2.312 20 30 EEEDLO Cc1cnc(C[N@@H+]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)s1 ZINC000973005398 681830287 /nfs/dbraw/zinc/83/02/87/681830287.db2.gz FYROLNULBSOSDH-AWEZNQCLSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1cnc(C[N@H+]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)s1 ZINC000973005398 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HEAXNDQNKBEIJD-GOEBONIOSA-N 1 2 343.475 2.128 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4oc(=O)[nH]c43)[C@@H]2C1 ZINC001076049484 1188686547 /nfs/dbraw/zinc/68/65/47/1188686547.db2.gz AZDAPBQZNLSPLE-WCQYABFASA-N 1 2 347.802 2.432 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc4oc(=O)[nH]c43)[C@@H]2C1 ZINC001076049484 1188686550 /nfs/dbraw/zinc/68/65/50/1188686550.db2.gz AZDAPBQZNLSPLE-WCQYABFASA-N 1 2 347.802 2.432 20 30 EEEDLO C=CCOCC(=O)NCCN(CCC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001101106437 1188863012 /nfs/dbraw/zinc/86/30/12/1188863012.db2.gz KMOMGECNNXMVEA-UHFFFAOYSA-N 1 2 332.448 2.198 20 30 EEEDLO C[C@@H](CCNC(=O)C#CC(C)(C)C)NC(=O)c1cccc2[nH+]ccn21 ZINC001076436769 1188914395 /nfs/dbraw/zinc/91/43/95/1188914395.db2.gz ZOTRIHNEQZXILI-AWEZNQCLSA-N 1 2 340.427 2.008 20 30 EEEDLO C#CCCCC(=O)N[C@@H](C)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001076640360 1189067302 /nfs/dbraw/zinc/06/73/02/1189067302.db2.gz AZDFKRLQVNWCEQ-AWEZNQCLSA-N 1 2 340.427 2.071 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001076667258 1189091722 /nfs/dbraw/zinc/09/17/22/1189091722.db2.gz NNUCQKWGFQVTJR-INIZCTEOSA-N 1 2 346.475 2.443 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001076691148 1189110970 /nfs/dbraw/zinc/11/09/70/1189110970.db2.gz LFFQYIJCBTXGMB-GJZGRUSLSA-N 1 2 346.475 2.059 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001076711728 1189121455 /nfs/dbraw/zinc/12/14/55/1189121455.db2.gz LMHBGKYRJGIWSM-CABCVRRESA-N 1 2 346.475 2.368 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001076711728 1189121458 /nfs/dbraw/zinc/12/14/58/1189121458.db2.gz LMHBGKYRJGIWSM-CABCVRRESA-N 1 2 346.475 2.368 20 30 EEEDLO C=C(C)CCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001076796995 1189167716 /nfs/dbraw/zinc/16/77/16/1189167716.db2.gz NDJGODOBHJLOKN-KBPBESRZSA-N 1 2 332.448 2.197 20 30 EEEDLO C=CCN1C(=O)COCC12C[NH+](Cc1ccc(OCC(C)C)cc1)C2 ZINC001272916445 1193602590 /nfs/dbraw/zinc/60/25/90/1193602590.db2.gz IERNAZDZNNIGTR-UHFFFAOYSA-N 1 2 344.455 2.321 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3=CCCCCC3)C2)s1 ZINC001076923681 1189230780 /nfs/dbraw/zinc/23/07/80/1189230780.db2.gz CQGWXVIWUCLKKS-IAGOWNOFSA-N 1 2 345.468 2.172 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3=CCCCCC3)C2)s1 ZINC001076923681 1189230784 /nfs/dbraw/zinc/23/07/84/1189230784.db2.gz CQGWXVIWUCLKKS-IAGOWNOFSA-N 1 2 345.468 2.172 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC001105695041 1189648096 /nfs/dbraw/zinc/64/80/96/1189648096.db2.gz RTAMFULJBUBKCC-CXAGYDPISA-N 1 2 338.415 2.006 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCC[C@H]2NC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC001105695041 1189648100 /nfs/dbraw/zinc/64/81/00/1189648100.db2.gz RTAMFULJBUBKCC-CXAGYDPISA-N 1 2 338.415 2.006 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(N2CCCCC2)c(F)c1 ZINC000905445018 1189728915 /nfs/dbraw/zinc/72/89/15/1189728915.db2.gz GBRFCGLJEVAYRK-INIZCTEOSA-N 1 2 334.439 2.434 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(N2CCCCC2)c(F)c1 ZINC000905445018 1189728916 /nfs/dbraw/zinc/72/89/16/1189728916.db2.gz GBRFCGLJEVAYRK-INIZCTEOSA-N 1 2 334.439 2.434 20 30 EEEDLO CC[C@@H](C)N1C[C@@]2(CC[N@H+](Cc3ccc(F)cc3C#N)C2)OCC1=O ZINC001272386653 1190796334 /nfs/dbraw/zinc/79/63/34/1190796334.db2.gz LEKJMACPJBZTNS-KUHUBIRLSA-N 1 2 345.418 2.299 20 30 EEEDLO CC[C@@H](C)N1C[C@@]2(CC[N@@H+](Cc3ccc(F)cc3C#N)C2)OCC1=O ZINC001272386653 1190796336 /nfs/dbraw/zinc/79/63/36/1190796336.db2.gz LEKJMACPJBZTNS-KUHUBIRLSA-N 1 2 345.418 2.299 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3nccs3)C2)cc1 ZINC001033323827 1194417678 /nfs/dbraw/zinc/41/76/78/1194417678.db2.gz YCWLZCRJWIBOEL-MRXNPFEDSA-N 1 2 325.437 2.471 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3nccs3)C2)cc1 ZINC001033323827 1194417682 /nfs/dbraw/zinc/41/76/82/1194417682.db2.gz YCWLZCRJWIBOEL-MRXNPFEDSA-N 1 2 325.437 2.471 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001005111669 1194446690 /nfs/dbraw/zinc/44/66/90/1194446690.db2.gz ORERZGOEVVYCQP-BBRMVZONSA-N 1 2 346.475 2.216 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001005203029 1194705509 /nfs/dbraw/zinc/70/55/09/1194705509.db2.gz ZPTJQDOERBXFMV-ZBFHGGJFSA-N 1 2 344.459 2.052 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3nc(C)c(C)o3)C2)cn1 ZINC001033597948 1194929481 /nfs/dbraw/zinc/92/94/81/1194929481.db2.gz BMMLLYRDJDKUOP-QGZVFWFLSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3nc(C)c(C)o3)C2)cn1 ZINC001033597948 1194929485 /nfs/dbraw/zinc/92/94/85/1194929485.db2.gz BMMLLYRDJDKUOP-QGZVFWFLSA-N 1 2 338.411 2.014 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@@H](C)[NH2+]Cc2nc(CC(F)(F)F)no2)C1 ZINC001752898060 1194960917 /nfs/dbraw/zinc/96/09/17/1194960917.db2.gz AKTZOCYYCAIOOL-SNVBAGLBSA-N 1 2 346.353 2.125 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cnn3ncccc23)C1 ZINC001033855751 1195396455 /nfs/dbraw/zinc/39/64/55/1195396455.db2.gz JGUZDOXHXIDBJG-CYBMUJFWSA-N 1 2 333.823 2.018 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnn3ncccc23)C1 ZINC001033855751 1195396458 /nfs/dbraw/zinc/39/64/58/1195396458.db2.gz JGUZDOXHXIDBJG-CYBMUJFWSA-N 1 2 333.823 2.018 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c(c2)nnn3C)C1 ZINC001033875685 1195412871 /nfs/dbraw/zinc/41/28/71/1195412871.db2.gz YITNNLVKNFULFG-AWEZNQCLSA-N 1 2 347.850 2.257 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c(c2)nnn3C)C1 ZINC001033875685 1195412874 /nfs/dbraw/zinc/41/28/74/1195412874.db2.gz YITNNLVKNFULFG-AWEZNQCLSA-N 1 2 347.850 2.257 20 30 EEEDLO C#Cc1cncc(C(=O)N(CC)[C@H]2CC[N@@H+]([C@H](C)c3ncccn3)C2)c1 ZINC001033953986 1195548585 /nfs/dbraw/zinc/54/85/85/1195548585.db2.gz APOJQLJGLKFLKC-QAPCUYQASA-N 1 2 349.438 2.151 20 30 EEEDLO C#Cc1cncc(C(=O)N(CC)[C@H]2CC[N@H+]([C@H](C)c3ncccn3)C2)c1 ZINC001033953986 1195548588 /nfs/dbraw/zinc/54/85/88/1195548588.db2.gz APOJQLJGLKFLKC-QAPCUYQASA-N 1 2 349.438 2.151 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC001033953311 1195554783 /nfs/dbraw/zinc/55/47/83/1195554783.db2.gz BKPNJFJQFIZGRX-ZNMIVQPWSA-N 1 2 335.473 2.157 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001033953311 1195554786 /nfs/dbraw/zinc/55/47/86/1195554786.db2.gz BKPNJFJQFIZGRX-ZNMIVQPWSA-N 1 2 335.473 2.157 20 30 EEEDLO C=CCCn1cc(C(=O)N(CC)[C@H]2CC[N@H+](CC(=C)Cl)C2)nn1 ZINC001033980587 1195599693 /nfs/dbraw/zinc/59/96/93/1195599693.db2.gz VWNLBMBWLUMAKR-AWEZNQCLSA-N 1 2 337.855 2.143 20 30 EEEDLO C=CCCn1cc(C(=O)N(CC)[C@H]2CC[N@@H+](CC(=C)Cl)C2)nn1 ZINC001033980587 1195599696 /nfs/dbraw/zinc/59/96/96/1195599696.db2.gz VWNLBMBWLUMAKR-AWEZNQCLSA-N 1 2 337.855 2.143 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cc(C)on2)C1 ZINC001034212586 1195951791 /nfs/dbraw/zinc/95/17/91/1195951791.db2.gz LPTDYGCTOOUKOF-NXHRZFHOSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cc(C)on2)C1 ZINC001034212586 1195951795 /nfs/dbraw/zinc/95/17/95/1195951795.db2.gz LPTDYGCTOOUKOF-NXHRZFHOSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cc(C)on2)C1 ZINC001034441841 1196236804 /nfs/dbraw/zinc/23/68/04/1196236804.db2.gz JXUAQNCJAGIINO-SZMVWBNQSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cc(C)on2)C1 ZINC001034441841 1196236806 /nfs/dbraw/zinc/23/68/06/1196236806.db2.gz JXUAQNCJAGIINO-SZMVWBNQSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cn(C(C)C)nn2)C1 ZINC001034461542 1196240287 /nfs/dbraw/zinc/24/02/87/1196240287.db2.gz DFRKQNCYBWUCHT-ZDUSSCGKSA-N 1 2 325.844 2.196 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cn(C(C)C)nn2)C1 ZINC001034461542 1196240291 /nfs/dbraw/zinc/24/02/91/1196240291.db2.gz DFRKQNCYBWUCHT-ZDUSSCGKSA-N 1 2 325.844 2.196 20 30 EEEDLO CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC001034471930 1196277027 /nfs/dbraw/zinc/27/70/27/1196277027.db2.gz MGTZXHQMPJUSSD-QGZVFWFLSA-N 1 2 337.427 2.079 20 30 EEEDLO CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC001034471930 1196277031 /nfs/dbraw/zinc/27/70/31/1196277031.db2.gz MGTZXHQMPJUSSD-QGZVFWFLSA-N 1 2 337.427 2.079 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@H](Nc2[nH+]cnc3c2cnn3C)[C@@H]1C ZINC001090234209 1196505456 /nfs/dbraw/zinc/50/54/56/1196505456.db2.gz ZFDCKNJQGDYFTP-JSGCOSHPSA-N 1 2 342.447 2.367 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](Nc2[nH+]cnc3c2cnn3C)[C@@H]1C ZINC001090241056 1196551423 /nfs/dbraw/zinc/55/14/23/1196551423.db2.gz GTJCPVYIQAUMGX-JSGCOSHPSA-N 1 2 328.420 2.121 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@]1(C)C[N@H+](CCOCC(F)F)CCO1 ZINC001108147575 1196620568 /nfs/dbraw/zinc/62/05/68/1196620568.db2.gz AFIDWWZEEUNXHU-RHSMWYFYSA-N 1 2 348.434 2.078 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@]1(C)C[N@@H+](CCOCC(F)F)CCO1 ZINC001108147575 1196620571 /nfs/dbraw/zinc/62/05/71/1196620571.db2.gz 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PTKJQOLVARBWRI-CMPLNLGQSA-N 1 2 341.253 2.209 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2C)C[C@@H]1C ZINC000947593579 1208635300 /nfs/dbraw/zinc/63/53/00/1208635300.db2.gz PTKJQOLVARBWRI-CMPLNLGQSA-N 1 2 341.253 2.209 20 30 EEEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)C[C@@H]1C ZINC000947600863 1208639217 /nfs/dbraw/zinc/63/92/17/1208639217.db2.gz AAXUTUMHNFZYGC-BBRMVZONSA-N 1 2 325.416 2.240 20 30 EEEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)C[C@@H]1C ZINC000947600863 1208639218 /nfs/dbraw/zinc/63/92/18/1208639218.db2.gz AAXUTUMHNFZYGC-BBRMVZONSA-N 1 2 325.416 2.240 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCO[C@H]1C=C ZINC000948919724 1209452688 /nfs/dbraw/zinc/45/26/88/1209452688.db2.gz PEUFOIMKCUYKBC-AABGKKOBSA-N 1 2 338.451 2.316 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCO[C@H]1C=C ZINC000948919724 1209452692 /nfs/dbraw/zinc/45/26/92/1209452692.db2.gz PEUFOIMKCUYKBC-AABGKKOBSA-N 1 2 338.451 2.316 20 30 EEEDLO 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/nfs/dbraw/zinc/99/48/50/1221994850.db2.gz DMWXRZAEMVMDSO-NVXWUHKLSA-N 1 2 345.418 2.205 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)sc1C ZINC001007027440 1222066311 /nfs/dbraw/zinc/06/63/11/1222066311.db2.gz DZAOVPUCQLCROR-AWEZNQCLSA-N 1 2 343.456 2.354 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)sc1C ZINC001007027440 1222066313 /nfs/dbraw/zinc/06/63/13/1222066313.db2.gz DZAOVPUCQLCROR-AWEZNQCLSA-N 1 2 343.456 2.354 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCCCO3)C2)ccc1F ZINC001007123046 1222102603 /nfs/dbraw/zinc/10/26/03/1222102603.db2.gz TVYZJYXKYOJTNQ-SJLPKXTDSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CCCCO3)C2)ccc1F ZINC001007123046 1222102605 /nfs/dbraw/zinc/10/26/05/1222102605.db2.gz TVYZJYXKYOJTNQ-SJLPKXTDSA-N 1 2 345.418 2.347 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](Cc3conc3CC)C2)c1 ZINC001008471424 1222866453 /nfs/dbraw/zinc/86/64/53/1222866453.db2.gz ZAVOWIADGWHORW-KRWDZBQOSA-N 1 2 338.411 2.008 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](Cc3conc3CC)C2)c1 ZINC001008471424 1222866456 /nfs/dbraw/zinc/86/64/56/1222866456.db2.gz ZAVOWIADGWHORW-KRWDZBQOSA-N 1 2 338.411 2.008 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001008887976 1223068460 /nfs/dbraw/zinc/06/84/60/1223068460.db2.gz NHAIFPKQDRRBJD-SFHVURJKSA-N 1 2 336.439 2.272 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001008887976 1223068461 /nfs/dbraw/zinc/06/84/61/1223068461.db2.gz NHAIFPKQDRRBJD-SFHVURJKSA-N 1 2 336.439 2.272 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001009115701 1223145610 /nfs/dbraw/zinc/14/56/10/1223145610.db2.gz JPMYXJWIRJRDMZ-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001009115701 1223145612 /nfs/dbraw/zinc/14/56/12/1223145612.db2.gz JPMYXJWIRJRDMZ-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001009354346 1223219504 /nfs/dbraw/zinc/21/95/04/1223219504.db2.gz RUABRUBTNPIKOE-IBGZPJMESA-N 1 2 348.450 2.090 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CCC[N@H+](Cc2cnc(C)cn2)C1 ZINC001009354346 1223219508 /nfs/dbraw/zinc/21/95/08/1223219508.db2.gz RUABRUBTNPIKOE-IBGZPJMESA-N 1 2 348.450 2.090 20 30 EEEDLO Cc1ncsc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010321646 1223660638 /nfs/dbraw/zinc/66/06/38/1223660638.db2.gz OVUXYVIAFVLPMO-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1ncsc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010321646 1223660640 /nfs/dbraw/zinc/66/06/40/1223660640.db2.gz OVUXYVIAFVLPMO-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1cccnc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010492239 1223746798 /nfs/dbraw/zinc/74/67/98/1223746798.db2.gz SWWOPQMMMQETHW-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cccnc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010492239 1223746800 /nfs/dbraw/zinc/74/68/00/1223746800.db2.gz SWWOPQMMMQETHW-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cc[nH]c1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010835939 1223930801 /nfs/dbraw/zinc/93/08/01/1223930801.db2.gz YHTNETOJLKYWPI-HNNXBMFYSA-N 1 2 326.375 2.338 20 30 EEEDLO Cc1cc[nH]c1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010835939 1223930805 /nfs/dbraw/zinc/93/08/05/1223930805.db2.gz YHTNETOJLKYWPI-HNNXBMFYSA-N 1 2 326.375 2.338 20 30 EEEDLO Cc1cnccc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010871845 1223949997 /nfs/dbraw/zinc/94/99/97/1223949997.db2.gz WQMMWAFJMPJVOQ-GOSISDBHSA-N 1 2 337.398 2.385 20 30 EEEDLO Cc1cnccc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010871845 1223949999 /nfs/dbraw/zinc/94/99/99/1223949999.db2.gz WQMMWAFJMPJVOQ-GOSISDBHSA-N 1 2 337.398 2.385 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ncc2n1CCCC2 ZINC001016297198 1226315603 /nfs/dbraw/zinc/31/56/03/1226315603.db2.gz LOKHYEHFPMIUDH-SFHVURJKSA-N 1 2 348.450 2.075 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ncc2n1CCCC2 ZINC001016297198 1226315611 /nfs/dbraw/zinc/31/56/11/1226315611.db2.gz LOKHYEHFPMIUDH-SFHVURJKSA-N 1 2 348.450 2.075 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(NC(=O)Cc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001014433810 1226612067 /nfs/dbraw/zinc/61/20/67/1226612067.db2.gz MZHMKVJOOFIFCC-KUHUBIRLSA-N 1 2 344.459 2.194 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2c(F)cncc2F)C1 ZINC001014582553 1226805478 /nfs/dbraw/zinc/80/54/78/1226805478.db2.gz QQLJTOWDBAFTTP-AWEZNQCLSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2c(F)cncc2F)C1 ZINC001014582553 1226805484 /nfs/dbraw/zinc/80/54/84/1226805484.db2.gz QQLJTOWDBAFTTP-AWEZNQCLSA-N 1 2 342.349 2.236 20 30 EEEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]Cc1nc(C2CCCC2)no1 ZINC001054659841 1248821918 /nfs/dbraw/zinc/82/19/18/1248821918.db2.gz SWTJMGJAOKLSCW-BBRMVZONSA-N 1 2 342.443 2.077 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncc2ccccc21 ZINC001017632755 1227586920 /nfs/dbraw/zinc/58/69/20/1227586920.db2.gz MZONMYLEGFPWNG-KDURUIRLSA-N 1 2 333.435 2.476 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncc2ccccc21 ZINC001017632755 1227586924 /nfs/dbraw/zinc/58/69/24/1227586924.db2.gz MZONMYLEGFPWNG-KDURUIRLSA-N 1 2 333.435 2.476 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccccc1OCC ZINC001017711232 1227664799 /nfs/dbraw/zinc/66/47/99/1227664799.db2.gz HCJFPWNGEDSYSV-HDICACEKSA-N 1 2 326.440 2.326 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccccc1OCC ZINC001017711232 1227664802 /nfs/dbraw/zinc/66/48/02/1227664802.db2.gz HCJFPWNGEDSYSV-HDICACEKSA-N 1 2 326.440 2.326 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2csnn2)C1 ZINC001018969250 1228589564 /nfs/dbraw/zinc/58/95/64/1228589564.db2.gz VAHMWSYORRQQMV-STQMWFEESA-N 1 2 331.445 2.091 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc[nH]c2C)cc1C#N ZINC001038146371 1229665823 /nfs/dbraw/zinc/66/58/23/1229665823.db2.gz YQGOUFWQGKSBAG-MRXNPFEDSA-N 1 2 338.411 2.208 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc[nH]c2C)cc1C#N ZINC001038146371 1229665824 /nfs/dbraw/zinc/66/58/24/1229665824.db2.gz YQGOUFWQGKSBAG-MRXNPFEDSA-N 1 2 338.411 2.208 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001038800121 1230065866 /nfs/dbraw/zinc/06/58/66/1230065866.db2.gz PFNQGZYGYRRWIN-OKZBNKHCSA-N 1 2 339.439 2.303 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001038800121 1230065871 /nfs/dbraw/zinc/06/58/71/1230065871.db2.gz PFNQGZYGYRRWIN-OKZBNKHCSA-N 1 2 339.439 2.303 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ocnc1C ZINC001038800542 1230066326 /nfs/dbraw/zinc/06/63/26/1230066326.db2.gz SNCSXFWAHNRHBQ-ZOBUZTSGSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ocnc1C ZINC001038800542 1230066331 /nfs/dbraw/zinc/06/63/31/1230066331.db2.gz SNCSXFWAHNRHBQ-ZOBUZTSGSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1oc(C)nc1C ZINC001038800513 1230066620 /nfs/dbraw/zinc/06/66/20/1230066620.db2.gz SGEPPTGNDLGZHG-BQFCYCMXSA-N 1 2 347.459 2.353 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1oc(C)nc1C ZINC001038800513 1230066624 /nfs/dbraw/zinc/06/66/24/1230066624.db2.gz SGEPPTGNDLGZHG-BQFCYCMXSA-N 1 2 347.459 2.353 20 30 EEEDLO CC1(Nc2ncccc2C#N)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001067282978 1230243335 /nfs/dbraw/zinc/24/33/35/1230243335.db2.gz UHTJETGNKRYLCV-UHFFFAOYSA-N 1 2 338.415 2.033 20 30 EEEDLO Cn1ncc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)c1C1CC1 ZINC001039083444 1230289413 /nfs/dbraw/zinc/28/94/13/1230289413.db2.gz XGEQYVPEQRDVPI-QGZVFWFLSA-N 1 2 349.438 2.173 20 30 EEEDLO Cn1ncc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)c1C1CC1 ZINC001039083444 1230289416 /nfs/dbraw/zinc/28/94/16/1230289416.db2.gz XGEQYVPEQRDVPI-QGZVFWFLSA-N 1 2 349.438 2.173 20 30 EEEDLO Cc1nc(NC2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)ccc1C#N ZINC001067298390 1230629379 /nfs/dbraw/zinc/62/93/79/1230629379.db2.gz NLLGGFQFGMMNHX-UHFFFAOYSA-N 1 2 338.415 2.021 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](CNc3cc[nH+]c(C)n3)C2)cn1 ZINC001039875703 1230877874 /nfs/dbraw/zinc/87/78/74/1230877874.db2.gz SGJUJWDGXQPISJ-PBHICJAKSA-N 1 2 349.438 2.372 20 30 EEEDLO Cc1ncc(C(=O)N2CC[C@@H]3CC[N@H+](Cc4ccccc4C#N)[C@H]3C2)[nH]1 ZINC001041971356 1231799575 /nfs/dbraw/zinc/79/95/75/1231799575.db2.gz CONIJPRCLWWZMA-KXBFYZLASA-N 1 2 349.438 2.326 20 30 EEEDLO Cc1ncc(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4ccccc4C#N)[C@H]3C2)[nH]1 ZINC001041971356 1231799577 /nfs/dbraw/zinc/79/95/77/1231799577.db2.gz CONIJPRCLWWZMA-KXBFYZLASA-N 1 2 349.438 2.326 20 30 EEEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001042625109 1232124362 /nfs/dbraw/zinc/12/43/62/1232124362.db2.gz BFJQGYLUNFPKKS-UHFFFAOYSA-N 1 2 334.423 2.331 20 30 EEEDLO C[C@@H]1C[C@@H]1CC(=O)N(C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001043738795 1232559586 /nfs/dbraw/zinc/55/95/86/1232559586.db2.gz QTLYIXPJBSTGIM-GDBMZVCRSA-N 1 2 327.428 2.278 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCCOC2)CC1 ZINC001045386252 1233711890 /nfs/dbraw/zinc/71/18/90/1233711890.db2.gz GXHOSVLSYQJCLA-CYBMUJFWSA-N 1 2 345.281 2.292 20 30 EEEDLO Cc1ncncc1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046169968 1234511609 /nfs/dbraw/zinc/51/16/09/1234511609.db2.gz XLWFSNCQNJXHAB-IBGZPJMESA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1ncncc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046169968 1234511612 /nfs/dbraw/zinc/51/16/12/1234511612.db2.gz XLWFSNCQNJXHAB-IBGZPJMESA-N 1 2 335.411 2.051 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001054912676 1249365500 /nfs/dbraw/zinc/36/55/00/1249365500.db2.gz WQUAXJPMVNFBEL-WKILWMFISA-N 1 2 346.475 2.347 20 30 EEEDLO Cc1n[nH]c(C(=O)N[C@]2(C)CC[N@H+](Cc3cccc(C#N)c3)C2)c1C ZINC001046200797 1234547727 /nfs/dbraw/zinc/54/77/27/1234547727.db2.gz TYUANLJROJNHLJ-LJQANCHMSA-N 1 2 337.427 2.293 20 30 EEEDLO Cc1n[nH]c(C(=O)N[C@]2(C)CC[N@@H+](Cc3cccc(C#N)c3)C2)c1C ZINC001046200797 1234547728 /nfs/dbraw/zinc/54/77/28/1234547728.db2.gz TYUANLJROJNHLJ-LJQANCHMSA-N 1 2 337.427 2.293 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+]2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001046248376 1234593134 /nfs/dbraw/zinc/59/31/34/1234593134.db2.gz OONRXFMICQJKAD-SJCJKPOMSA-N 1 2 327.388 2.138 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+]2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001046248376 1234593136 /nfs/dbraw/zinc/59/31/36/1234593136.db2.gz OONRXFMICQJKAD-SJCJKPOMSA-N 1 2 327.388 2.138 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001046505105 1234880796 /nfs/dbraw/zinc/88/07/96/1234880796.db2.gz BSHLBWUVQYHARL-KRWDZBQOSA-N 1 2 347.850 2.467 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001046505105 1234880798 /nfs/dbraw/zinc/88/07/98/1234880798.db2.gz BSHLBWUVQYHARL-KRWDZBQOSA-N 1 2 347.850 2.467 20 30 EEEDLO C=CCCOCC(=O)N(C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001096112400 1234970298 /nfs/dbraw/zinc/97/02/98/1234970298.db2.gz AYXQEKFFKHAIPJ-UHFFFAOYSA-N 1 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1241095755 /nfs/dbraw/zinc/09/57/55/1241095755.db2.gz IXMPPBZLGBJWSZ-CABCVRRESA-N 1 2 345.834 2.389 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cncc2nc[nH]c21 ZINC001049484716 1241095765 /nfs/dbraw/zinc/09/57/65/1241095765.db2.gz IXMPPBZLGBJWSZ-CABCVRRESA-N 1 2 345.834 2.389 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cncc2nc[nH]c21 ZINC001049484716 1241095773 /nfs/dbraw/zinc/09/57/73/1241095773.db2.gz IXMPPBZLGBJWSZ-CABCVRRESA-N 1 2 345.834 2.389 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cnon1 ZINC001049506650 1241161179 /nfs/dbraw/zinc/16/11/79/1241161179.db2.gz XGOOVMDVZQFZIW-KBPBESRZSA-N 1 2 338.839 2.414 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cnon1 ZINC001049506650 1241161183 /nfs/dbraw/zinc/16/11/83/1241161183.db2.gz XGOOVMDVZQFZIW-KBPBESRZSA-N 1 2 338.839 2.414 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)CC1(C)C ZINC001073341719 1242363395 /nfs/dbraw/zinc/36/33/95/1242363395.db2.gz 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346.475 2.395 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ncoc1-c1ccccc1 ZINC001050945672 1244689288 /nfs/dbraw/zinc/68/92/88/1244689288.db2.gz SUPJXJOKIVROOG-INIZCTEOSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ncoc1-c1ccccc1 ZINC001050945672 1244689297 /nfs/dbraw/zinc/68/92/97/1244689297.db2.gz SUPJXJOKIVROOG-INIZCTEOSA-N 1 2 341.411 2.348 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2cnccc2o1 ZINC001051003374 1244826317 /nfs/dbraw/zinc/82/63/17/1244826317.db2.gz NILVQMDWHVUDHY-OAHLLOKOSA-N 1 2 329.400 2.225 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2cnccc2o1 ZINC001051003374 1244826324 /nfs/dbraw/zinc/82/63/24/1244826324.db2.gz NILVQMDWHVUDHY-OAHLLOKOSA-N 1 2 329.400 2.225 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1coc(C(F)(F)F)n1 ZINC001051006533 1244832047 /nfs/dbraw/zinc/83/20/47/1244832047.db2.gz SPHZVYAJESCSHN-LLVKDONJSA-N 1 2 347.337 2.090 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1coc(C(F)(F)F)n1 ZINC001051006533 1244832064 /nfs/dbraw/zinc/83/20/64/1244832064.db2.gz SPHZVYAJESCSHN-LLVKDONJSA-N 1 2 347.337 2.090 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001051061710 1244927732 /nfs/dbraw/zinc/92/77/32/1244927732.db2.gz UTDPLTWYUADZDY-CVEARBPZSA-N 1 2 346.475 2.229 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1csc(-c2ccoc2)n1 ZINC001051172817 1245084638 /nfs/dbraw/zinc/08/46/38/1245084638.db2.gz MINZXVSAMUFLRL-AWEZNQCLSA-N 1 2 347.440 2.410 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1csc(-c2ccoc2)n1 ZINC001051172817 1245084645 /nfs/dbraw/zinc/08/46/45/1245084645.db2.gz MINZXVSAMUFLRL-AWEZNQCLSA-N 1 2 347.440 2.410 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ncc(Cl)cc1Cl ZINC001051184901 1245361394 /nfs/dbraw/zinc/36/13/94/1245361394.db2.gz POINNJBULOSUKP-GFCCVEGCSA-N 1 2 344.242 2.395 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ncc(Cl)cc1Cl ZINC001051184901 1245361399 /nfs/dbraw/zinc/36/13/99/1245361399.db2.gz POINNJBULOSUKP-GFCCVEGCSA-N 1 2 344.242 2.395 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccoc1Br ZINC001051194567 1245373550 /nfs/dbraw/zinc/37/35/50/1245373550.db2.gz IIWZUQCLEOSMTK-NSHDSACASA-N 1 2 343.221 2.049 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccoc1Br ZINC001051194567 1245373555 /nfs/dbraw/zinc/37/35/55/1245373555.db2.gz IIWZUQCLEOSMTK-NSHDSACASA-N 1 2 343.221 2.049 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1oc(CCC)nc1C ZINC001051209941 1245395747 /nfs/dbraw/zinc/39/57/47/1245395747.db2.gz QWPINQQUEINTMS-HNNXBMFYSA-N 1 2 335.448 2.332 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1oc(CCC)nc1C ZINC001051209941 1245395751 /nfs/dbraw/zinc/39/57/51/1245395751.db2.gz QWPINQQUEINTMS-HNNXBMFYSA-N 1 2 335.448 2.332 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc2c1OCC2(C)C ZINC001051270623 1245461725 /nfs/dbraw/zinc/46/17/25/1245461725.db2.gz URFDSLPVNGSUEA-HNNXBMFYSA-N 1 2 344.455 2.363 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc2c1OCC2(C)C ZINC001051270623 1245461729 /nfs/dbraw/zinc/46/17/29/1245461729.db2.gz URFDSLPVNGSUEA-HNNXBMFYSA-N 1 2 344.455 2.363 20 30 EEEDLO CCCN(CCNC(=O)c1cccc2[nH+]ccn21)c1ccc(C#N)cn1 ZINC001101205038 1245519843 /nfs/dbraw/zinc/51/98/43/1245519843.db2.gz TXXRSYLRHMKXLK-UHFFFAOYSA-N 1 2 348.410 2.247 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(CCCC)CC1)c1nccn12 ZINC001101642405 1246074087 /nfs/dbraw/zinc/07/40/87/1246074087.db2.gz BKZHAPGUWOLRAG-MRXNPFEDSA-N 1 2 340.471 2.449 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)CCC)c1nccn12 ZINC001101642586 1246074283 /nfs/dbraw/zinc/07/42/83/1246074283.db2.gz GPFHPIOONGXVGC-HNNXBMFYSA-N 1 2 328.460 2.305 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C(C)(C)[C@@H]1CCCCO1)CCO2 ZINC001053259482 1246106640 /nfs/dbraw/zinc/10/66/40/1246106640.db2.gz YSSHQFRIWMVNMT-INIZCTEOSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCCCC(=O)N1C[C@H](C)[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001053307815 1246166180 /nfs/dbraw/zinc/16/61/80/1246166180.db2.gz YAHFZMVJCMFOLA-DLBZAZTESA-N 1 2 346.475 2.230 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1ccc(C)c(OC)c1)CCO2 ZINC001053334582 1246199037 /nfs/dbraw/zinc/19/90/37/1246199037.db2.gz YHOGOIGJUQNBLU-UHFFFAOYSA-N 1 2 344.455 2.035 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc(-c3ccco3)on1)CCO2 ZINC001053364379 1246236886 /nfs/dbraw/zinc/23/68/86/1246236886.db2.gz APTIVOCRUJQTSW-UHFFFAOYSA-N 1 2 343.383 2.038 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)C3CCC3)C2)CC1 ZINC001052042487 1246411860 /nfs/dbraw/zinc/41/18/60/1246411860.db2.gz CGCGJNGKUYDFRH-DOTOQJQBSA-N 1 2 339.911 2.394 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)Oc1ccc(F)cc1)CCO2 ZINC001053527676 1246435262 /nfs/dbraw/zinc/43/52/62/1246435262.db2.gz WYMIIMVLHIDMDU-OAHLLOKOSA-N 1 2 348.418 2.082 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)CC1 ZINC001052078080 1246454931 /nfs/dbraw/zinc/45/49/31/1246454931.db2.gz ZDNLPBIQQMZFKS-IXDOHACOSA-N 1 2 339.911 2.394 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C3(C)CC(F)(F)C3)C2)CC1 ZINC001052106546 1246486351 /nfs/dbraw/zinc/48/63/51/1246486351.db2.gz NWTKDDVSAFFLQO-HNNXBMFYSA-N 1 2 341.446 2.216 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(C(F)F)o3)C2)CC1 ZINC001052111708 1246492670 /nfs/dbraw/zinc/49/26/70/1246492670.db2.gz BVQIQOSSTIANQD-CYBMUJFWSA-N 1 2 339.386 2.235 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3(C4CCCCC4)CC3)C2)CC1 ZINC001052113303 1246495634 /nfs/dbraw/zinc/49/56/34/1246495634.db2.gz RJPAPOOUDHMPHN-LJQANCHMSA-N 1 2 343.515 2.199 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccnc1C(F)F)O2 ZINC001053626051 1246554223 /nfs/dbraw/zinc/55/42/23/1246554223.db2.gz MCSBHULBSYEECB-LBPRGKRZSA-N 1 2 337.370 2.168 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(F)ccc(F)c1F)O2 ZINC001053656327 1246599959 /nfs/dbraw/zinc/59/99/59/1246599959.db2.gz WHYSJMSLGLYCBS-LLVKDONJSA-N 1 2 340.345 2.253 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ocnc1C(F)F)O2 ZINC001053663647 1246610464 /nfs/dbraw/zinc/61/04/64/1246610464.db2.gz XRPOGGNNFVEBHW-NSHDSACASA-N 1 2 341.358 2.152 20 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ZINC001053859156 1246922059 /nfs/dbraw/zinc/92/20/59/1246922059.db2.gz BTMVQXWYYMFHND-MRXNPFEDSA-N 1 2 327.428 2.108 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2COC3(C[NH+](CCOC4CCC4)C3)C2)CC1 ZINC001053914099 1247007013 /nfs/dbraw/zinc/00/70/13/1247007013.db2.gz GWQHFXNDOZIXEU-KRWDZBQOSA-N 1 2 348.487 2.261 20 30 EEEDLO C[C@H](CNC(=O)CCCn1cc[nH+]c1)Nc1cccc(F)c1C#N ZINC001097910875 1247007840 /nfs/dbraw/zinc/00/78/40/1247007840.db2.gz BRECSNYTIQDYQB-CYBMUJFWSA-N 1 2 329.379 2.291 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1cccc(F)c1F)CO2 ZINC001053940147 1247039049 /nfs/dbraw/zinc/03/90/49/1247039049.db2.gz XYZWLNFVEPSKEQ-CQSZACIVSA-N 1 2 336.382 2.043 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3ccncc3c1)CO2 ZINC001053975356 1247092702 /nfs/dbraw/zinc/09/27/02/1247092702.db2.gz GIGAQOIMJLGWQH-GOSISDBHSA-N 1 2 337.423 2.384 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)cc(C)cc1C)CO2 ZINC001054002884 1247135810 /nfs/dbraw/zinc/13/58/10/1247135810.db2.gz KGEYPAMNTOAPDM-KRWDZBQOSA-N 1 2 326.440 2.208 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccc3c(c1)CCC3)CO2 ZINC001054005380 1247139465 /nfs/dbraw/zinc/13/94/65/1247139465.db2.gz IZXWGJHVKMOFBL-LJQANCHMSA-N 1 2 340.467 2.253 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C(F)F)n[nH]1 ZINC001054051547 1247239591 /nfs/dbraw/zinc/23/95/91/1247239591.db2.gz GEWWNXFCRAMVIT-AWEZNQCLSA-N 1 2 344.365 2.137 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C(F)F)n[nH]1 ZINC001054051547 1247239602 /nfs/dbraw/zinc/23/96/02/1247239602.db2.gz GEWWNXFCRAMVIT-AWEZNQCLSA-N 1 2 344.365 2.137 20 30 EEEDLO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(COC)on1 ZINC001054056077 1247252680 /nfs/dbraw/zinc/25/26/80/1247252680.db2.gz XQIMYXPSUQOKLJ-MRXNPFEDSA-N 1 2 341.411 2.164 20 30 EEEDLO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(COC)on1 ZINC001054056077 1247252689 /nfs/dbraw/zinc/25/26/89/1247252689.db2.gz XQIMYXPSUQOKLJ-MRXNPFEDSA-N 1 2 341.411 2.164 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001052464346 1247345004 /nfs/dbraw/zinc/34/50/04/1247345004.db2.gz KFENWZIGIXOFBX-LSDHHAIUSA-N 1 2 346.475 2.155 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn(C)c(C)cc2=O)CC1 ZINC001052469344 1247355347 /nfs/dbraw/zinc/35/53/47/1247355347.db2.gz PGJHSIAZAXNMMD-AWEZNQCLSA-N 1 2 337.851 2.031 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(C)cc2=O)CC1 ZINC001052469344 1247355359 /nfs/dbraw/zinc/35/53/59/1247355359.db2.gz PGJHSIAZAXNMMD-AWEZNQCLSA-N 1 2 337.851 2.031 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001052470506 1247360283 /nfs/dbraw/zinc/36/02/83/1247360283.db2.gz DJYUURAHVQRZMR-HUUCEWRRSA-N 1 2 346.475 2.155 20 30 EEEDLO Cc1nnc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)C#CC2CC2)C3)s1 ZINC001054130002 1247473579 /nfs/dbraw/zinc/47/35/79/1247473579.db2.gz FZKZWPKIFAXKMP-SFHVURJKSA-N 1 2 344.484 2.074 20 30 EEEDLO Cc1nnc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)C#CC2CC2)C3)s1 ZINC001054130002 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/nfs/dbraw/zinc/45/56/48/1299455648.db2.gz RWSCRPMSSBFAEH-GHMZBOCLSA-N 1 2 340.773 2.023 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)c(C)s2)C[C@@H]1O ZINC001099945399 1299527326 /nfs/dbraw/zinc/52/73/26/1299527326.db2.gz WURZSKWLFIKDFG-KBPBESRZSA-N 1 2 337.489 2.024 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2nc(C)c(C)s2)C[C@@H]1O ZINC001099945399 1299527336 /nfs/dbraw/zinc/52/73/36/1299527336.db2.gz WURZSKWLFIKDFG-KBPBESRZSA-N 1 2 337.489 2.024 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C[C@H]1O ZINC001099945121 1299528382 /nfs/dbraw/zinc/52/83/82/1299528382.db2.gz VGBKRLIRHDILFR-JKSUJKDBSA-N 1 2 338.398 2.228 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C[C@H]1O ZINC001099945121 1299528385 /nfs/dbraw/zinc/52/83/85/1299528385.db2.gz VGBKRLIRHDILFR-JKSUJKDBSA-N 1 2 338.398 2.228 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N(C)CCNc3ncccc3C#N)ccn12 ZINC001101797362 1299877424 /nfs/dbraw/zinc/87/74/24/1299877424.db2.gz GTEZUODXNHAYCU-UHFFFAOYSA-N 1 2 334.383 2.094 20 30 EEEDLO C[C@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001101823964 1299919096 /nfs/dbraw/zinc/91/90/96/1299919096.db2.gz RMDMNROUKDXPCG-GMTAPVOTSA-N 1 2 326.853 2.140 20 30 EEEDLO C[C@H](C#N)C(=O)NC[C@@H]1C[N@@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC001101823964 1299919099 /nfs/dbraw/zinc/91/90/99/1299919099.db2.gz RMDMNROUKDXPCG-GMTAPVOTSA-N 1 2 326.853 2.140 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)o3)[C@H]2C1 ZINC001223338419 1300088369 /nfs/dbraw/zinc/08/83/69/1300088369.db2.gz PKTSWHVJOXMMGQ-XHSDSOJGSA-N 1 2 332.448 2.403 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)o3)[C@H]2C1 ZINC001223338419 1300088377 /nfs/dbraw/zinc/08/83/77/1300088377.db2.gz PKTSWHVJOXMMGQ-XHSDSOJGSA-N 1 2 332.448 2.403 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)[nH]3)[C@H]2C1 ZINC001223337889 1300088793 /nfs/dbraw/zinc/08/87/93/1300088793.db2.gz BVHAVIHNKYJELW-OAGGEKHMSA-N 1 2 331.464 2.138 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)[nH]3)[C@H]2C1 ZINC001223337889 1300088807 /nfs/dbraw/zinc/08/88/07/1300088807.db2.gz BVHAVIHNKYJELW-OAGGEKHMSA-N 1 2 331.464 2.138 20 30 EEEDLO C#CCC1(C(=O)NC[C@@H]2C[N@H+]([C@H](C)c3noc(C)n3)C[C@H]2C)CCC1 ZINC001102037119 1300178550 /nfs/dbraw/zinc/17/85/50/1300178550.db2.gz QCFHDCXVUOMHKB-IIAWOOMASA-N 1 2 344.459 2.317 20 30 EEEDLO C#CCC1(C(=O)NC[C@@H]2C[N@@H+]([C@H](C)c3noc(C)n3)C[C@H]2C)CCC1 ZINC001102037119 1300178560 /nfs/dbraw/zinc/17/85/60/1300178560.db2.gz QCFHDCXVUOMHKB-IIAWOOMASA-N 1 2 344.459 2.317 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCC1CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC001224187503 1300477345 /nfs/dbraw/zinc/47/73/45/1300477345.db2.gz RFNHPCFQNAIXGM-AWEZNQCLSA-N 1 2 348.447 2.044 20 30 EEEDLO C=CCC1(C(=O)NCC2CC[NH+](Cc3nc(C)no3)CC2)CCC1 ZINC001224403130 1300577226 /nfs/dbraw/zinc/57/72/26/1300577226.db2.gz ZQDKRIPRZCIYQU-UHFFFAOYSA-N 1 2 332.448 2.453 20 30 EEEDLO Cc1nc(N2CC[C@@H](CCNC(=O)[C@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001102302687 1300778403 /nfs/dbraw/zinc/77/84/03/1300778403.db2.gz ZAVZHYXJNDAVPT-UKRRQHHQSA-N 1 2 341.459 2.156 20 30 EEEDLO C#CC[N@@H+](CC(=O)NC(=O)NC1CCCCC1)Cc1ccccc1 ZINC000796641264 1300790467 /nfs/dbraw/zinc/79/04/67/1300790467.db2.gz OHNALXHGPHNODE-UHFFFAOYSA-N 1 2 327.428 2.280 20 30 EEEDLO C#CC[N@H+](CC(=O)NC(=O)NC1CCCCC1)Cc1ccccc1 ZINC000796641264 1300790476 /nfs/dbraw/zinc/79/04/76/1300790476.db2.gz OHNALXHGPHNODE-UHFFFAOYSA-N 1 2 327.428 2.280 20 30 EEEDLO COc1ccnc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1C#N ZINC001225566929 1301065097 /nfs/dbraw/zinc/06/50/97/1301065097.db2.gz KMSBHYIMNLKDER-INIZCTEOSA-N 1 2 334.379 2.487 20 30 EEEDLO COc1ccnc(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1C#N ZINC001225566929 1301065105 /nfs/dbraw/zinc/06/51/05/1301065105.db2.gz KMSBHYIMNLKDER-INIZCTEOSA-N 1 2 334.379 2.487 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)Nc4ccccc4)C3)C2)cc1C#N ZINC001277082529 1301198422 /nfs/dbraw/zinc/19/84/22/1301198422.db2.gz WBHWDHQBZJDODR-UHFFFAOYSA-N 1 2 335.411 2.246 20 30 EEEDLO C=CCCC(=O)NC1CC[NH+](CC(=O)NCc2ccc(C)s2)CC1 ZINC001226519464 1301447197 /nfs/dbraw/zinc/44/71/97/1301447197.db2.gz YARYGEPIPZCLFU-UHFFFAOYSA-N 1 2 349.500 2.220 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC001227114527 1301695401 /nfs/dbraw/zinc/69/54/01/1301695401.db2.gz MFDIQZKXGOHXHK-SFHVURJKSA-N 1 2 349.500 2.428 20 30 EEEDLO O=C(C#CC1CC1)NC1CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC001227299432 1301772180 /nfs/dbraw/zinc/77/21/80/1301772180.db2.gz QIBGQHXRFVGDTO-UHFFFAOYSA-N 1 2 348.450 2.366 20 30 EEEDLO C=CC(C)(C)CC(=O)NC1CC[NH+](CC(=O)NCc2ccco2)CC1 ZINC001227535717 1301872353 /nfs/dbraw/zinc/87/23/53/1301872353.db2.gz DDQXWRUQSWFFEN-UHFFFAOYSA-N 1 2 347.459 2.079 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NC1CC[NH+](Cc2nccc(C)n2)CC1)OCC ZINC001227628782 1301915755 /nfs/dbraw/zinc/91/57/55/1301915755.db2.gz IARITWSJFBJUDL-QGZVFWFLSA-N 1 2 346.475 2.237 20 30 EEEDLO CC(C)COC(=O)c1ccccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001228397622 1302243454 /nfs/dbraw/zinc/24/34/54/1302243454.db2.gz HLXORUHJISQTTE-YPDBZUBKSA-N 1 2 331.412 2.491 20 30 EEEDLO CC(C)COC(=O)c1ccccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001228397622 1302243459 /nfs/dbraw/zinc/24/34/59/1302243459.db2.gz HLXORUHJISQTTE-YPDBZUBKSA-N 1 2 331.412 2.491 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](CC)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001103287332 1302652417 /nfs/dbraw/zinc/65/24/17/1302652417.db2.gz HUHAIINFXQDHPH-OCCSQVGLSA-N 1 2 334.468 2.155 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001103296198 1302673986 /nfs/dbraw/zinc/67/39/86/1302673986.db2.gz LXFZCJURBFJSTA-KUHUBIRLSA-N 1 2 345.491 2.374 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001103296198 1302673997 /nfs/dbraw/zinc/67/39/97/1302673997.db2.gz LXFZCJURBFJSTA-KUHUBIRLSA-N 1 2 345.491 2.374 20 30 EEEDLO C=CCC(C)(C)C(=O)NC1CC[NH+](Cc2noc3c2COCC3)CC1 ZINC001229369082 1302749655 /nfs/dbraw/zinc/74/96/55/1302749655.db2.gz JMFOJIUMNOYYLP-UHFFFAOYSA-N 1 2 347.459 2.430 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)NC1(CNc2ncccc2C#N)CCCC1 ZINC001103439262 1302963795 /nfs/dbraw/zinc/96/37/95/1302963795.db2.gz SYDKASADIXHGJW-UHFFFAOYSA-N 1 2 338.415 2.068 20 30 EEEDLO C[C@@](CNc1ncccc1C#N)(NC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC001103521582 1303069692 /nfs/dbraw/zinc/06/96/92/1303069692.db2.gz OCELXQNAORSPEW-SFHVURJKSA-N 1 2 338.415 2.006 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1CNc1[nH+]cnc2c1cnn2C ZINC001103820584 1303373960 /nfs/dbraw/zinc/37/39/60/1303373960.db2.gz ZKGOAQBMZNJYOR-ZIAGYGMSSA-N 1 2 342.447 2.369 20 30 EEEDLO C=CCc1cccc(C[N@H+]2CCc3c([nH]nc3C(=O)N(C)C)C2)c1O ZINC001277463554 1303391370 /nfs/dbraw/zinc/39/13/70/1303391370.db2.gz LTVPCIYAJDVZML-UHFFFAOYSA-N 1 2 340.427 2.104 20 30 EEEDLO C=CCc1cccc(C[N@@H+]2CCc3c([nH]nc3C(=O)N(C)C)C2)c1O ZINC001277463554 1303391376 /nfs/dbraw/zinc/39/13/76/1303391376.db2.gz LTVPCIYAJDVZML-UHFFFAOYSA-N 1 2 340.427 2.104 20 30 EEEDLO CC[C@H](OC)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001231101276 1303629787 /nfs/dbraw/zinc/62/97/87/1303629787.db2.gz ARCHPLGEZGTTND-SJORKVTESA-N 1 2 345.443 2.025 20 30 EEEDLO CC[C@H](OC)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001231101276 1303629789 /nfs/dbraw/zinc/62/97/89/1303629789.db2.gz ARCHPLGEZGTTND-SJORKVTESA-N 1 2 345.443 2.025 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C)ns1 ZINC001231102977 1303631720 /nfs/dbraw/zinc/63/17/20/1303631720.db2.gz MBTSBCMKADXDRP-CABCVRRESA-N 1 2 337.489 2.465 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C)ns1 ZINC001231102977 1303631724 /nfs/dbraw/zinc/63/17/24/1303631724.db2.gz MBTSBCMKADXDRP-CABCVRRESA-N 1 2 337.489 2.465 20 30 EEEDLO CO[C@@H](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001231148881 1303653433 /nfs/dbraw/zinc/65/34/33/1303653433.db2.gz INHWMCRXYVYFQZ-YJBOKZPZSA-N 1 2 332.419 2.135 20 30 EEEDLO CO[C@@H](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001231148881 1303653437 /nfs/dbraw/zinc/65/34/37/1303653437.db2.gz INHWMCRXYVYFQZ-YJBOKZPZSA-N 1 2 332.419 2.135 20 30 EEEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001231249030 1303702925 /nfs/dbraw/zinc/70/29/25/1303702925.db2.gz XVWKVWRYWMNORD-RHSMWYFYSA-N 1 2 329.831 2.384 20 30 EEEDLO C[C@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001231249030 1303702931 /nfs/dbraw/zinc/70/29/31/1303702931.db2.gz XVWKVWRYWMNORD-RHSMWYFYSA-N 1 2 329.831 2.384 20 30 EEEDLO Cn1nc(O[C@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)cc1C#N ZINC001231355431 1303749821 /nfs/dbraw/zinc/74/98/21/1303749821.db2.gz GFDRCWMBIHQBJF-NSHDSACASA-N 1 2 337.836 2.445 20 30 EEEDLO Cn1nc(O[C@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)cc1C#N ZINC001231355431 1303749825 /nfs/dbraw/zinc/74/98/25/1303749825.db2.gz GFDRCWMBIHQBJF-NSHDSACASA-N 1 2 337.836 2.445 20 30 EEEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(CC)o1)C2 ZINC001111711420 1303794716 /nfs/dbraw/zinc/79/47/16/1303794716.db2.gz SEUIANYLQMGHFA-KXBFYZLASA-N 1 2 344.459 2.296 20 30 EEEDLO C#CCCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(CC)o1)C2 ZINC001111711420 1303794720 /nfs/dbraw/zinc/79/47/20/1303794720.db2.gz SEUIANYLQMGHFA-KXBFYZLASA-N 1 2 344.459 2.296 20 30 EEEDLO CC(C)CCC[N@@H+]1CCc2c([nH]nc2C(=O)NC2(C#N)CCC2)C1 ZINC001277532703 1303845318 /nfs/dbraw/zinc/84/53/18/1303845318.db2.gz MKELBXMUIQPPFL-UHFFFAOYSA-N 1 2 329.448 2.380 20 30 EEEDLO CC(C)CCC[N@H+]1CCc2c([nH]nc2C(=O)NC2(C#N)CCC2)C1 ZINC001277532703 1303845320 /nfs/dbraw/zinc/84/53/20/1303845320.db2.gz MKELBXMUIQPPFL-UHFFFAOYSA-N 1 2 329.448 2.380 20 30 EEEDLO CC(C)CCC[N@@H+]1CCc2c(n[nH]c2C(=O)NC2(C#N)CCC2)C1 ZINC001277532703 1303845325 /nfs/dbraw/zinc/84/53/25/1303845325.db2.gz MKELBXMUIQPPFL-UHFFFAOYSA-N 1 2 329.448 2.380 20 30 EEEDLO CC(C)CCC[N@H+]1CCc2c(n[nH]c2C(=O)NC2(C#N)CCC2)C1 ZINC001277532703 1303845329 /nfs/dbraw/zinc/84/53/29/1303845329.db2.gz MKELBXMUIQPPFL-UHFFFAOYSA-N 1 2 329.448 2.380 20 30 EEEDLO C#CCO[C@H](C)C(=O)NCC1(Nc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001111849382 1303993708 /nfs/dbraw/zinc/99/37/08/1303993708.db2.gz PTTNSJJJHCIVDN-OAHLLOKOSA-N 1 2 344.459 2.398 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCC1(Nc2nc(N(C)C)nc(C)[nH+]2)CCC1 ZINC001111884951 1304048809 /nfs/dbraw/zinc/04/88/09/1304048809.db2.gz OAECXJJKKGJEPI-CQSZACIVSA-N 1 2 346.479 2.299 20 30 EEEDLO COc1cccnc1O[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232680525 1304215156 /nfs/dbraw/zinc/21/51/56/1304215156.db2.gz DNLGEBDCFNKXMI-OAHLLOKOSA-N 1 2 325.368 2.321 20 30 EEEDLO COc1cccnc1O[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232680525 1304215163 /nfs/dbraw/zinc/21/51/63/1304215163.db2.gz DNLGEBDCFNKXMI-OAHLLOKOSA-N 1 2 325.368 2.321 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CC12COC2 ZINC001232845096 1304270863 /nfs/dbraw/zinc/27/08/63/1304270863.db2.gz NHSDCJZNJVBIHI-CQSZACIVSA-N 1 2 349.456 2.345 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CC12COC2 ZINC001232845096 1304270868 /nfs/dbraw/zinc/27/08/68/1304270868.db2.gz NHSDCJZNJVBIHI-CQSZACIVSA-N 1 2 349.456 2.345 20 30 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/nfs/dbraw/zinc/65/37/53/1304653753.db2.gz PSQRPQOOXVJTIO-GOSISDBHSA-N 1 2 347.503 2.114 20 30 EEEDLO C[N@H+](CCCNC(=O)CSCC#N)Cc1csc(C2CC2)n1 ZINC001234146078 1304766972 /nfs/dbraw/zinc/76/69/72/1304766972.db2.gz CEMAZTGQEYZFGZ-UHFFFAOYSA-N 1 2 338.502 2.215 20 30 EEEDLO C[N@@H+](CCCNC(=O)CSCC#N)Cc1csc(C2CC2)n1 ZINC001234146078 1304766982 /nfs/dbraw/zinc/76/69/82/1304766982.db2.gz CEMAZTGQEYZFGZ-UHFFFAOYSA-N 1 2 338.502 2.215 20 30 EEEDLO C#CCO[C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1sccc1Cl ZINC001234214515 1304800956 /nfs/dbraw/zinc/80/09/56/1304800956.db2.gz BYMOCCPBWRZIHK-CHWSQXEVSA-N 1 2 340.876 2.473 20 30 EEEDLO C#CCO[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1sccc1Cl ZINC001234214515 1304800965 /nfs/dbraw/zinc/80/09/65/1304800965.db2.gz BYMOCCPBWRZIHK-CHWSQXEVSA-N 1 2 340.876 2.473 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000798059648 1304911944 /nfs/dbraw/zinc/91/19/44/1304911944.db2.gz JLZDNKDQXYZYSH-ZBFHGGJFSA-N 1 2 333.432 2.487 20 30 EEEDLO 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2.322 20 30 EEEDLO N#Cc1cc(Cl)nnc1N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001158626265 1319342758 /nfs/dbraw/zinc/34/27/58/1319342758.db2.gz ZUMJQTVAOYBFKG-LLVKDONJSA-N 1 2 327.766 2.311 20 30 EEEDLO C=C(C)CCC(=O)NCCC1=CC[N@H+](Cc2cn(CC)nn2)CC1 ZINC001160264240 1320115204 /nfs/dbraw/zinc/11/52/04/1320115204.db2.gz KFIIONZNJBVVGK-UHFFFAOYSA-N 1 2 331.464 2.293 20 30 EEEDLO C=C(C)CCC(=O)NCCC1=CC[N@@H+](Cc2cn(CC)nn2)CC1 ZINC001160264240 1320115210 /nfs/dbraw/zinc/11/52/10/1320115210.db2.gz KFIIONZNJBVVGK-UHFFFAOYSA-N 1 2 331.464 2.293 20 30 EEEDLO C=CCCOCC(=O)NCCC1=CC[N@H+](Cc2coc(C)n2)CC1 ZINC001161978558 1320705521 /nfs/dbraw/zinc/70/55/21/1320705521.db2.gz YYGYHWFJNHUZNP-UHFFFAOYSA-N 1 2 333.432 2.214 20 30 EEEDLO C=CCCOCC(=O)NCCC1=CC[N@@H+](Cc2coc(C)n2)CC1 ZINC001161978558 1320705524 /nfs/dbraw/zinc/70/55/24/1320705524.db2.gz YYGYHWFJNHUZNP-UHFFFAOYSA-N 1 2 333.432 2.214 20 30 EEEDLO CC#CC[NH+]1CCN(Cc2ccc(CNC(=O)C(C)(C)C)cc2)CC1 ZINC001163029561 1321019763 /nfs/dbraw/zinc/01/97/63/1321019763.db2.gz BHHXLSJBCFAXGQ-UHFFFAOYSA-N 1 2 341.499 2.490 20 30 EEEDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@H+](Cc2ccccc2C#N)C1 ZINC001204373111 1322132651 /nfs/dbraw/zinc/13/26/51/1322132651.db2.gz NRTHEPQSODUZQF-JKSUJKDBSA-N 1 2 331.416 2.018 20 30 EEEDLO CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)[N@@H+](Cc2ccccc2C#N)C1 ZINC001204373111 1322132656 /nfs/dbraw/zinc/13/26/56/1322132656.db2.gz NRTHEPQSODUZQF-JKSUJKDBSA-N 1 2 331.416 2.018 20 30 EEEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2nccn2C)CC1 ZINC001205143911 1322296878 /nfs/dbraw/zinc/29/68/78/1322296878.db2.gz GSZOVCYNDVYMIX-UHFFFAOYSA-N 1 2 326.400 2.344 20 30 EEEDLO COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001263308185 1322457251 /nfs/dbraw/zinc/45/72/51/1322457251.db2.gz XTLYGBPYSOCGOJ-JKSUJKDBSA-N 1 2 329.400 2.215 20 30 EEEDLO COc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001263308185 1322457258 /nfs/dbraw/zinc/45/72/58/1322457258.db2.gz XTLYGBPYSOCGOJ-JKSUJKDBSA-N 1 2 329.400 2.215 20 30 EEEDLO CS[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001206183169 1323417463 /nfs/dbraw/zinc/41/74/63/1323417463.db2.gz HSEIPTCIXPXVPM-BFQNTYOBSA-N 1 2 335.448 2.385 20 30 EEEDLO CS[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC001206183169 1323417466 /nfs/dbraw/zinc/41/74/66/1323417466.db2.gz HSEIPTCIXPXVPM-BFQNTYOBSA-N 1 2 335.448 2.385 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2c(F)cccc2F)C[C@H]1C ZINC001206914965 1323698661 /nfs/dbraw/zinc/69/86/61/1323698661.db2.gz ZCJYDJXKBQYREW-XHBKTUGNSA-N 1 2 338.398 2.228 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2c(F)cccc2F)C[C@H]1C ZINC001206914965 1323698667 /nfs/dbraw/zinc/69/86/67/1323698667.db2.gz ZCJYDJXKBQYREW-XHBKTUGNSA-N 1 2 338.398 2.228 20 30 EEEDLO CC1=CCC=C[C@@H]1C(=O)N1CC2(C1)C[NH+](Cc1ccc(C#N)cc1O)C2 ZINC001279498073 1323917425 /nfs/dbraw/zinc/91/74/25/1323917425.db2.gz UIAJMKYKRWKQCH-SFHVURJKSA-N 1 2 349.434 2.430 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H]([NH2+]Cc2nc(CC(F)(F)F)no2)C1 ZINC001207657053 1324073603 /nfs/dbraw/zinc/07/36/03/1324073603.db2.gz RAOQOQBKGAMAFN-NSHDSACASA-N 1 2 346.353 2.221 20 30 EEEDLO C#CCCCCC(=O)N1CCC[C@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001207863859 1324187624 /nfs/dbraw/zinc/18/76/24/1324187624.db2.gz ZDWQQDTVYKZCCQ-INIZCTEOSA-N 1 2 344.459 2.296 20 30 EEEDLO C#CCCCC(=O)N1CCC[C@H]([NH2+]Cc2nc(CCCC)no2)C1 ZINC001207944423 1324223670 /nfs/dbraw/zinc/22/36/70/1324223670.db2.gz MUSWBROUONOCOO-HNNXBMFYSA-N 1 2 332.448 2.296 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)OCc2ccncc2)C1 ZINC001208731493 1324643070 /nfs/dbraw/zinc/64/30/70/1324643070.db2.gz NNWHDIHIQRKZTM-XNRPHZJLSA-N 1 2 337.851 2.176 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)OCc2ccncc2)C1 ZINC001208731493 1324643079 /nfs/dbraw/zinc/64/30/79/1324643079.db2.gz NNWHDIHIQRKZTM-XNRPHZJLSA-N 1 2 337.851 2.176 20 30 EEEDLO CC#CCCCC(=O)N1CCC[C@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001209147322 1324822547 /nfs/dbraw/zinc/82/25/47/1324822547.db2.gz VQRXADYSRRBQJV-LBPRGKRZSA-N 1 2 340.374 2.281 20 30 EEEDLO C#CC[N@H+](CC1CC1)CN1C(=O)N[C@](CCC(C)C)(C2CC2)C1=O ZINC001323267357 1333426714 /nfs/dbraw/zinc/42/67/14/1333426714.db2.gz UMUXUQAFLXTMCZ-LJQANCHMSA-N 1 2 331.460 2.426 20 30 EEEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)N[C@](CCC(C)C)(C2CC2)C1=O ZINC001323267357 1333426715 /nfs/dbraw/zinc/42/67/15/1333426715.db2.gz UMUXUQAFLXTMCZ-LJQANCHMSA-N 1 2 331.460 2.426 20 30 EEEDLO C=CCC[C@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC001336218255 1336502139 /nfs/dbraw/zinc/50/21/39/1336502139.db2.gz OHAGJZAYAWWUBU-IRXDYDNUSA-N 1 2 346.475 2.440 20 30 EEEDLO C=CCC[C@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC001336218255 1336502141 /nfs/dbraw/zinc/50/21/41/1336502141.db2.gz OHAGJZAYAWWUBU-IRXDYDNUSA-N 1 2 346.475 2.440 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001338840960 1336917925 /nfs/dbraw/zinc/91/79/25/1336917925.db2.gz FTEASOYSSDTYRV-NXOAAHMSSA-N 1 2 345.491 2.482 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001338840960 1336917928 /nfs/dbraw/zinc/91/79/28/1336917928.db2.gz FTEASOYSSDTYRV-NXOAAHMSSA-N 1 2 345.491 2.482 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)CC1CC1 ZINC001338842703 1336918182 /nfs/dbraw/zinc/91/81/82/1336918182.db2.gz YLHPYNPQKAQFTQ-HZPDHXFCSA-N 1 2 331.464 2.236 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)CC1CC1 ZINC001338842703 1336918184 /nfs/dbraw/zinc/91/81/84/1336918184.db2.gz YLHPYNPQKAQFTQ-HZPDHXFCSA-N 1 2 331.464 2.236 20 30 EEEDLO C=CCn1c([C@H]2C[C@H]2C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001338931367 1336933507 /nfs/dbraw/zinc/93/35/07/1336933507.db2.gz QEXHNVUQHOXHPI-CJNGLKHVSA-N 1 2 342.447 2.206 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1nnc(C)s1 ZINC001340264264 1337148215 /nfs/dbraw/zinc/14/82/15/1337148215.db2.gz NAWCCSLZXRZHGC-ZDUSSCGKSA-N 1 2 347.492 2.417 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)Cc1nnc(C)s1 ZINC001340264264 1337148216 /nfs/dbraw/zinc/14/82/16/1337148216.db2.gz NAWCCSLZXRZHGC-ZDUSSCGKSA-N 1 2 347.492 2.417 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)Cc1nnc(C)s1 ZINC001340298128 1337154061 /nfs/dbraw/zinc/15/40/61/1337154061.db2.gz WKHJAFCLGAUJLY-UHFFFAOYSA-N 1 2 347.492 2.246 20 30 EEEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)C[C@H]1CCCOC1 ZINC001341867898 1337302966 /nfs/dbraw/zinc/30/29/66/1337302966.db2.gz FZRXCBXNPRPCJT-OAHLLOKOSA-N 1 2 344.463 2.041 20 30 EEEDLO C=C1CCN(c2nnc(Cc3[nH+]ccn3C)n2CCCOCC)CC1 ZINC001342488837 1337317556 /nfs/dbraw/zinc/31/75/56/1337317556.db2.gz ZHIZCAQOTVISEW-UHFFFAOYSA-N 1 2 344.463 2.185 20 30 EEEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCCC1 ZINC001343947571 1337358481 /nfs/dbraw/zinc/35/84/81/1337358481.db2.gz PSUCHKZSOSKRED-CVEARBPZSA-N 1 2 331.464 2.380 20 30 EEEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCCC1 ZINC001343947571 1337358484 /nfs/dbraw/zinc/35/84/84/1337358484.db2.gz PSUCHKZSOSKRED-CVEARBPZSA-N 1 2 331.464 2.380 20 30 EEEDLO C=C(C)CN(CC)c1nnc(C[NH+]2CCC(CO)CC2)n1CC1CC1 ZINC001346736895 1337490589 /nfs/dbraw/zinc/49/05/89/1337490589.db2.gz DCEANGVREXLJIT-UHFFFAOYSA-N 1 2 347.507 2.295 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)CCC1CC1 ZINC001351544517 1337824256 /nfs/dbraw/zinc/82/42/56/1337824256.db2.gz PRMJLBBZAFBATQ-INIZCTEOSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)CCC1CC1 ZINC001351544517 1337824261 /nfs/dbraw/zinc/82/42/61/1337824261.db2.gz PRMJLBBZAFBATQ-INIZCTEOSA-N 1 2 333.480 2.482 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NCC1([NH2+]Cc2c[nH]nn2)CCCCC1)OCC ZINC001575040185 1343724307 /nfs/dbraw/zinc/72/43/07/1343724307.db2.gz YUWUKSXXRGRCSN-MRXNPFEDSA-N 1 2 349.479 2.085 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NCC1([NH2+]Cc2cn[nH]n2)CCCCC1)OCC ZINC001575040185 1343724310 /nfs/dbraw/zinc/72/43/10/1343724310.db2.gz YUWUKSXXRGRCSN-MRXNPFEDSA-N 1 2 349.479 2.085 20 30 EEEDLO N#Cc1nc(Nc2ccc(NC3CCCC3)[nH+]c2)cnc1-c1nn[nH]n1 ZINC001581881042 1344685496 /nfs/dbraw/zinc/68/54/96/1344685496.db2.gz GDROIDFDPXTVTJ-UHFFFAOYSA-N 1 2 348.374 2.021 20 30 EEEDLO CSc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1-c1nn[nH]n1 ZINC001605388168 1351151222 /nfs/dbraw/zinc/15/12/22/1351151222.db2.gz YBYVNXLXOHZTJK-UHFFFAOYSA-N 1 2 343.441 2.207 20 30 EEEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001647706151 1353388701 /nfs/dbraw/zinc/38/87/01/1353388701.db2.gz SRZUVFYVAFQDSH-GASCZTMLSA-N 1 2 330.480 2.483 20 30 EEEDLO C=CC[N@H+](CN1C(=O)C[C@](C)(c2ccccc2)C1=O)[C@H](C)COC ZINC000853534037 1369347646 /nfs/dbraw/zinc/34/76/46/1369347646.db2.gz GHGPYKFBILUFLG-DNVCBOLYSA-N 1 2 330.428 2.184 20 30 EEEDLO C=CC[N@@H+](CN1C(=O)C[C@](C)(c2ccccc2)C1=O)[C@H](C)COC ZINC000853534037 1369347654 /nfs/dbraw/zinc/34/76/54/1369347654.db2.gz GHGPYKFBILUFLG-DNVCBOLYSA-N 1 2 330.428 2.184 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001071261224 1370450268 /nfs/dbraw/zinc/45/02/68/1370450268.db2.gz PXIJBAWMOROKGF-QGZVFWFLSA-N 1 2 344.459 2.196 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001071261224 1370450271 /nfs/dbraw/zinc/45/02/71/1370450271.db2.gz PXIJBAWMOROKGF-QGZVFWFLSA-N 1 2 344.459 2.196 20 30 EEEDLO Cc1nc(NCCC2CCN(C(=O)CSCC#N)CC2)cc[nH+]1 ZINC001103618166 1371038829 /nfs/dbraw/zinc/03/88/29/1371038829.db2.gz KVLHRKUUNMKRQN-UHFFFAOYSA-N 1 2 333.461 2.082 20 30 EEEDLO CC[N@H+](CC(=O)/C=C1\N(C)c2ccccc2C1(C)C)[C@@H]1CCNC1=O ZINC000799353224 1371647319 /nfs/dbraw/zinc/64/73/19/1371647319.db2.gz FCVMFSYETVHRHC-ZCWPUFOUSA-N 1 2 341.455 2.077 20 30 EEEDLO CC[N@@H+](CC(=O)/C=C1\N(C)c2ccccc2C1(C)C)[C@@H]1CCNC1=O ZINC000799353224 1371647328 /nfs/dbraw/zinc/64/73/28/1371647328.db2.gz FCVMFSYETVHRHC-ZCWPUFOUSA-N 1 2 341.455 2.077 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H](CO)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001122318775 1371962474 /nfs/dbraw/zinc/96/24/74/1371962474.db2.gz WPLSGXRCYKUFLF-CQSZACIVSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)C[C@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001124786664 1372220917 /nfs/dbraw/zinc/22/09/17/1372220917.db2.gz QVGGPBLHRHOYSL-OAHLLOKOSA-N 1 2 346.475 2.496 20 30 EEEDLO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@H](O)c1cccc(C#N)c1 ZINC001364360092 1373596898 /nfs/dbraw/zinc/59/68/98/1373596898.db2.gz WMOJURSKVDVPSV-KRWDZBQOSA-N 1 2 345.349 2.440 20 30 EEEDLO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@H](O)c1cccc(C#N)c1 ZINC001364360092 1373596901 /nfs/dbraw/zinc/59/69/01/1373596901.db2.gz WMOJURSKVDVPSV-KRWDZBQOSA-N 1 2 345.349 2.440 20 30 EEEDLO COC[C@@H](C)C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001366729431 1374020472 /nfs/dbraw/zinc/02/04/72/1374020472.db2.gz CHKGSJHWXODGCC-CYBMUJFWSA-N 1 2 333.407 2.060 20 30 EEEDLO COC[C@@H](C)C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001366729431 1374020475 /nfs/dbraw/zinc/02/04/75/1374020475.db2.gz CHKGSJHWXODGCC-CYBMUJFWSA-N 1 2 333.407 2.060 20 30 EEEDLO Cc1noc(C)c1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001367972944 1374316761 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2.291 20 30 EEEDLO C#CCCCCC(=O)NC[C@]1(C)C[N@@H+](Cc2cccnc2C)CCO1 ZINC001107883168 789049954 /nfs/dbraw/zinc/04/99/54/789049954.db2.gz MNULYTHQWJNITL-HXUWFJFHSA-N 1 2 343.471 2.291 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](OC)[C@H](C)CC)CC2)C1 ZINC001105714154 789146494 /nfs/dbraw/zinc/14/64/94/789146494.db2.gz MBTGSDPKZKMNHH-CRAIPNDOSA-N 1 2 338.492 2.315 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1CNc1ccc(C#N)cn1 ZINC001060264514 789220961 /nfs/dbraw/zinc/22/09/61/789220961.db2.gz UDOHEAWVTOZGOE-OAHLLOKOSA-N 1 2 338.415 2.021 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCn3cnc(Cn4cccc4)c3C2)nc1 ZINC001144158396 789306985 /nfs/dbraw/zinc/30/69/85/789306985.db2.gz FBHURDPIHZUXAB-UHFFFAOYSA-N 1 2 332.411 2.405 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCn3cnc(Cn4cccc4)c3C2)nc1 ZINC001144158396 789306992 /nfs/dbraw/zinc/30/69/92/789306992.db2.gz FBHURDPIHZUXAB-UHFFFAOYSA-N 1 2 332.411 2.405 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)CC1CC1 ZINC001109769871 805955391 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336.810 2.381 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(C)(F)F)CC2(CCOCC2)C1 ZINC001089918525 790216320 /nfs/dbraw/zinc/21/63/20/790216320.db2.gz OTDZZHXRKLULNQ-LBPRGKRZSA-N 1 2 336.810 2.381 20 30 EEEDLO C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1C[NH+](C)C1 ZINC001146419217 791249432 /nfs/dbraw/zinc/24/94/32/791249432.db2.gz CYQVOUHYXQKCFF-HNNXBMFYSA-N 1 2 339.480 2.446 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC2(C1)CC[N@@H+](Cc1csc(CC)n1)C2 ZINC001147422430 791827755 /nfs/dbraw/zinc/82/77/55/791827755.db2.gz MEKLPOIAUBTCIR-KRWDZBQOSA-N 1 2 349.500 2.067 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC2(C1)CC[N@H+](Cc1csc(CC)n1)C2 ZINC001147422430 791827758 /nfs/dbraw/zinc/82/77/58/791827758.db2.gz MEKLPOIAUBTCIR-KRWDZBQOSA-N 1 2 349.500 2.067 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nncn1C)C2 ZINC001147631444 791890385 /nfs/dbraw/zinc/89/03/85/791890385.db2.gz YQEPMZBOICFZOA-OAHLLOKOSA-N 1 2 343.475 2.179 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nncn1C)C2 ZINC001147631444 791890390 /nfs/dbraw/zinc/89/03/90/791890390.db2.gz YQEPMZBOICFZOA-OAHLLOKOSA-N 1 2 343.475 2.179 20 30 EEEDLO CC(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC001149109979 791938924 /nfs/dbraw/zinc/93/89/24/791938924.db2.gz SYRPQKFWFIHJSC-QGZVFWFLSA-N 1 2 347.434 2.451 20 30 EEEDLO CC(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC001149109979 791938926 /nfs/dbraw/zinc/93/89/26/791938926.db2.gz SYRPQKFWFIHJSC-QGZVFWFLSA-N 1 2 347.434 2.451 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nnc(CC)[nH]1)C2 ZINC001148110867 792158718 /nfs/dbraw/zinc/15/87/18/792158718.db2.gz KLGINBASXSRFQM-HNNXBMFYSA-N 1 2 343.475 2.156 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nnc(CC)[nH]1)C2 ZINC001148110867 792158727 /nfs/dbraw/zinc/15/87/27/792158727.db2.gz KLGINBASXSRFQM-HNNXBMFYSA-N 1 2 343.475 2.156 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nccc(C)n1)C2 ZINC001148138343 792184556 /nfs/dbraw/zinc/18/45/56/792184556.db2.gz SSYZNCWGPBPNMZ-GOEBONIOSA-N 1 2 328.460 2.278 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nccc(C)n1)C2 ZINC001148138343 792184558 /nfs/dbraw/zinc/18/45/58/792184558.db2.gz SSYZNCWGPBPNMZ-GOEBONIOSA-N 1 2 328.460 2.278 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCC1(NC(=O)CCc2[nH+]ccn2C)CCC1 ZINC001064104621 792408225 /nfs/dbraw/zinc/40/82/25/792408225.db2.gz ROKMPDWWRRIEDR-HNNXBMFYSA-N 1 2 346.475 2.110 20 30 EEEDLO Cc1nc(NC[C@H]2CCCC[C@@H]2NC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001064167817 792578844 /nfs/dbraw/zinc/57/88/44/792578844.db2.gz DZMKFVJOMWXXLG-HIFRSBDPSA-N 1 2 338.415 2.386 20 30 EEEDLO O=C(CC#Cc1ccccc1)N1CC2(C1)CC[N@H+](Cc1ccon1)C2 ZINC001148812137 792721808 /nfs/dbraw/zinc/72/18/08/792721808.db2.gz OQDCHUCAQPCKBG-UHFFFAOYSA-N 1 2 335.407 2.151 20 30 EEEDLO O=C(CC#Cc1ccccc1)N1CC2(C1)CC[N@@H+](Cc1ccon1)C2 ZINC001148812137 792721818 /nfs/dbraw/zinc/72/18/18/792721818.db2.gz OQDCHUCAQPCKBG-UHFFFAOYSA-N 1 2 335.407 2.151 20 30 EEEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C(C)(C)CCC#N)cc2)C1 ZINC001148907813 792776991 /nfs/dbraw/zinc/77/69/91/792776991.db2.gz BCFWCWGTYIBOPZ-KRWDZBQOSA-N 1 2 329.444 2.328 20 30 EEEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C(C)(C)CCC#N)cc2)C1 ZINC001148907813 792776998 /nfs/dbraw/zinc/77/69/98/792776998.db2.gz BCFWCWGTYIBOPZ-KRWDZBQOSA-N 1 2 329.444 2.328 20 30 EEEDLO C#CCOCCC(=O)N[C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001109904816 806184280 /nfs/dbraw/zinc/18/42/80/806184280.db2.gz BYKCGENFWLSISM-INIZCTEOSA-N 1 2 342.443 2.009 20 30 EEEDLO C=CCCC1(C(=O)NCC2(NC(=O)Cc3[nH]c[nH+]c3C)CCC2)CC1 ZINC001064394663 793022235 /nfs/dbraw/zinc/02/22/35/793022235.db2.gz VWIJEHXZWWWVQT-UHFFFAOYSA-N 1 2 344.459 2.162 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001107987171 793109503 /nfs/dbraw/zinc/10/95/03/793109503.db2.gz JIHJFFHWCJRNQN-GDBMZVCRSA-N 1 2 328.403 2.042 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001107987171 793109508 /nfs/dbraw/zinc/10/95/08/793109508.db2.gz JIHJFFHWCJRNQN-GDBMZVCRSA-N 1 2 328.403 2.042 20 30 EEEDLO Cc1cc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001064465551 793176051 /nfs/dbraw/zinc/17/60/51/793176051.db2.gz MGHOLBYSJNTLRB-WQVCFCJDSA-N 1 2 339.443 2.392 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001107987317 793237626 /nfs/dbraw/zinc/23/76/26/793237626.db2.gz LEYUORORNAMFNV-LJQANCHMSA-N 1 2 327.428 2.254 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001107987317 793237629 /nfs/dbraw/zinc/23/76/29/793237629.db2.gz LEYUORORNAMFNV-LJQANCHMSA-N 1 2 327.428 2.254 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C)[nH]4)C[C@@]3(C)C2)CC1 ZINC001091979130 793490636 /nfs/dbraw/zinc/49/06/36/793490636.db2.gz RIPHUPZTIAVDRX-APWZRJJASA-N 1 2 343.475 2.140 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C)[nH]4)C[C@@]3(C)C2)CC1 ZINC001091979130 793490642 /nfs/dbraw/zinc/49/06/42/793490642.db2.gz RIPHUPZTIAVDRX-APWZRJJASA-N 1 2 343.475 2.140 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CCCC[C@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001092074863 793539495 /nfs/dbraw/zinc/53/94/95/793539495.db2.gz ZIYFVHDQUMRXDL-ZBFHGGJFSA-N 1 2 332.448 2.193 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1sccc1C)c1nccn12 ZINC001092335179 793856129 /nfs/dbraw/zinc/85/61/29/793856129.db2.gz AWSGRFDSUFXEOR-CYBMUJFWSA-N 1 2 328.441 2.325 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1C[C@H]1C1CC1)c1nccn12 ZINC001092384887 793879288 /nfs/dbraw/zinc/87/92/88/793879288.db2.gz MIHXFFVZJPALGU-HRCADAONSA-N 1 2 326.444 2.077 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)C1CCC1)c1nccn12 ZINC001092385723 793880376 /nfs/dbraw/zinc/88/03/76/793880376.db2.gz WWRRDKZEZSYXPQ-OAHLLOKOSA-N 1 2 328.460 2.467 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3ccccn3c1)c1nccn12 ZINC001092397149 793895025 /nfs/dbraw/zinc/89/50/25/793895025.db2.gz RDPGAGUVUNLLAH-QGZVFWFLSA-N 1 2 347.422 2.208 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3nc(C)oc3c2)[C@H](O)C1 ZINC001090332742 793964557 /nfs/dbraw/zinc/96/45/57/793964557.db2.gz DGENIXZXPKZRCN-UKRRQHHQSA-N 1 2 349.818 2.054 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3nc(C)oc3c2)[C@H](O)C1 ZINC001090332742 793964599 /nfs/dbraw/zinc/96/45/99/793964599.db2.gz DGENIXZXPKZRCN-UKRRQHHQSA-N 1 2 349.818 2.054 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(F)c(C)cc2F)[C@H](O)C1 ZINC001090337022 794018606 /nfs/dbraw/zinc/01/86/06/794018606.db2.gz BOFLDXDKKKFEFE-HUUCEWRRSA-N 1 2 344.789 2.191 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)c(C)cc2F)[C@H](O)C1 ZINC001090337022 794018617 /nfs/dbraw/zinc/01/86/17/794018617.db2.gz BOFLDXDKKKFEFE-HUUCEWRRSA-N 1 2 344.789 2.191 20 30 EEEDLO Cc1nsc(NC[C@@H]2CCCN2C(=O)CCn2cc[nH+]c2)c1C#N ZINC001064983742 794035994 /nfs/dbraw/zinc/03/59/94/794035994.db2.gz FWFKUJRLPXVXOJ-ZDUSSCGKSA-N 1 2 344.444 2.013 20 30 EEEDLO CCc1cc(N2CC[C@@]3(CNC(=O)[C@@H](C)C#N)CCC[C@@H]23)nc(C)[nH+]1 ZINC001092686889 794234867 /nfs/dbraw/zinc/23/48/67/794234867.db2.gz 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C#CCOCCC(=O)NCC1(Nc2cc[nH+]c(C)n2)CCCCC1 ZINC001093401293 795180706 /nfs/dbraw/zinc/18/07/06/795180706.db2.gz RTUQFRMSPIKHMP-UHFFFAOYSA-N 1 2 330.432 2.056 20 30 EEEDLO C=CC(C)(C)CC(=O)N(CC)C1CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001079845858 795277363 /nfs/dbraw/zinc/27/73/63/795277363.db2.gz QAKHYLHEEPVXHP-UHFFFAOYSA-N 1 2 346.475 2.325 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3ccc(F)cn3)CC2)C1 ZINC001093528259 795314042 /nfs/dbraw/zinc/31/40/42/795314042.db2.gz FZPAKUZGWKWYOJ-UHFFFAOYSA-N 1 2 333.407 2.102 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3csnc3C)CC2)C1 ZINC001093528324 795315377 /nfs/dbraw/zinc/31/53/77/795315377.db2.gz HDMAXSMVDVXMKV-UHFFFAOYSA-N 1 2 335.473 2.333 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCc3c(C)noc3C)CC2)C1 ZINC001093597055 795437113 /nfs/dbraw/zinc/43/71/13/795437113.db2.gz VGPCFYINVSLXDW-UHFFFAOYSA-N 1 2 347.459 2.102 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)ncn3C)C1 ZINC001079993435 795441644 /nfs/dbraw/zinc/44/16/44/795441644.db2.gz KYNKIUFPEBPLGH-IAQYHMDHSA-N 1 2 332.835 2.376 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)ncn3C)C1 ZINC001079993435 795441647 /nfs/dbraw/zinc/44/16/47/795441647.db2.gz KYNKIUFPEBPLGH-IAQYHMDHSA-N 1 2 332.835 2.376 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC(N(CC)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001080140488 795616386 /nfs/dbraw/zinc/61/63/86/795616386.db2.gz UCRBEZIREJTTKT-CQSZACIVSA-N 1 2 346.475 2.349 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)c(OCC)c1 ZINC001032770767 795648997 /nfs/dbraw/zinc/64/89/97/795648997.db2.gz FTNVDJYLBBLGHN-HOTGVXAUSA-N 1 2 328.412 2.016 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)c(OCC)c1 ZINC001032770767 795648999 /nfs/dbraw/zinc/64/89/99/795648999.db2.gz FTNVDJYLBBLGHN-HOTGVXAUSA-N 1 2 328.412 2.016 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(CC)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001080310638 795806686 /nfs/dbraw/zinc/80/66/86/795806686.db2.gz ZKPVHWOYYSLLTG-OAHLLOKOSA-N 1 2 346.475 2.014 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106555944 795826436 /nfs/dbraw/zinc/82/64/36/795826436.db2.gz ZAYWSIOPNMMFEP-YVEFUNNKSA-N 1 2 334.468 2.155 20 30 EEEDLO C[C@@H](CCNc1ccc(C#N)cn1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001106629586 795996606 /nfs/dbraw/zinc/99/66/06/795996606.db2.gz HTFAQDXHWPANHL-LBPRGKRZSA-N 1 2 334.383 2.450 20 30 EEEDLO C[C@H](CCNc1cccc(F)c1C#N)NC(=O)CCc1[nH+]ccn1C ZINC001106658589 796065256 /nfs/dbraw/zinc/06/52/56/796065256.db2.gz KRDXFBQSQXLHDX-CYBMUJFWSA-N 1 2 343.406 2.370 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3c(C)oc(C)c3C)nn2)C1 ZINC001094303649 796073388 /nfs/dbraw/zinc/07/33/88/796073388.db2.gz UFAOJCIHZWKUMA-UHFFFAOYSA-N 1 2 343.431 2.159 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)c(C)o1 ZINC000993235438 796153832 /nfs/dbraw/zinc/15/38/32/796153832.db2.gz OIZVQNFKOFYYSA-IAQYHMDHSA-N 1 2 341.415 2.274 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)c(C)o1 ZINC000993235438 796153836 /nfs/dbraw/zinc/15/38/36/796153836.db2.gz OIZVQNFKOFYYSA-IAQYHMDHSA-N 1 2 341.415 2.274 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001080714653 796345435 /nfs/dbraw/zinc/34/54/35/796345435.db2.gz HNXORLXEUUZESK-IAQYHMDHSA-N 1 2 345.834 2.274 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001080714653 796345439 /nfs/dbraw/zinc/34/54/39/796345439.db2.gz HNXORLXEUUZESK-IAQYHMDHSA-N 1 2 345.834 2.274 20 30 EEEDLO CC(C)C[C@@H](C(=O)NCCCNc1ccc(C#N)nc1)n1cc[nH+]c1 ZINC001094626488 796473865 /nfs/dbraw/zinc/47/38/65/796473865.db2.gz FPDNOCLFVRUAJU-KRWDZBQOSA-N 1 2 340.431 2.355 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCCC)C(C)C)C2 ZINC001110163334 796581121 /nfs/dbraw/zinc/58/11/21/796581121.db2.gz XFKSLAWAEAOSDO-OWSLCNJRSA-N 1 2 349.519 2.473 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCCC)C(C)C)C2 ZINC001110163334 796581125 /nfs/dbraw/zinc/58/11/25/796581125.db2.gz 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C[C@@H]1[C@@H](NC(=O)c2n[nH]cc2F)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993742554 796968420 /nfs/dbraw/zinc/96/84/20/796968420.db2.gz NMDKXLKPPFUSJR-YGRLFVJLSA-N 1 2 347.419 2.265 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2n[nH]cc2F)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993742554 796968424 /nfs/dbraw/zinc/96/84/24/796968424.db2.gz NMDKXLKPPFUSJR-YGRLFVJLSA-N 1 2 347.419 2.265 20 30 EEEDLO N#Cc1cnn(-c2ccccn2)c1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212666191 797012078 /nfs/dbraw/zinc/01/20/78/797012078.db2.gz BJYULMCDBSQXJR-UHFFFAOYSA-N 1 2 346.394 2.059 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cc(C)co1 ZINC001082045426 797119279 /nfs/dbraw/zinc/11/92/79/797119279.db2.gz ZMJNHQRSBQEKBU-SJLPKXTDSA-N 1 2 339.395 2.089 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cc(C)co1 ZINC001082045426 797119282 /nfs/dbraw/zinc/11/92/82/797119282.db2.gz ZMJNHQRSBQEKBU-SJLPKXTDSA-N 1 2 339.395 2.089 20 30 EEEDLO C=CCCC(=O)N1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001061021244 797144533 /nfs/dbraw/zinc/14/45/33/797144533.db2.gz WGUWPQBKJHFPKT-OAHLLOKOSA-N 1 2 344.459 2.006 20 30 EEEDLO C=CCCC(=O)N1CCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001061021244 797144538 /nfs/dbraw/zinc/14/45/38/797144538.db2.gz WGUWPQBKJHFPKT-OAHLLOKOSA-N 1 2 344.459 2.006 20 30 EEEDLO Cn1cc2c(n1)CC[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172986452 797181505 /nfs/dbraw/zinc/18/15/05/797181505.db2.gz WVRONSVNWLPZKN-CABCVRRESA-N 1 2 345.447 2.070 20 30 EEEDLO Cn1cc2c(n1)CC[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172986452 797181507 /nfs/dbraw/zinc/18/15/07/797181507.db2.gz WVRONSVNWLPZKN-CABCVRRESA-N 1 2 345.447 2.070 20 30 EEEDLO C=CCOc1cccnc1C(=O)N(CC)CCNc1cc[nH+]c(C)n1 ZINC001106838459 797186351 /nfs/dbraw/zinc/18/63/51/797186351.db2.gz LFBCMVRVSWDBSV-UHFFFAOYSA-N 1 2 341.415 2.319 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnc3cccnn32)[C@@H]1C ZINC000993954742 797192509 /nfs/dbraw/zinc/19/25/09/797192509.db2.gz UXSOWVZRFSWGSG-QWHCGFSZSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnc3cccnn32)[C@@H]1C ZINC000993954742 797192513 /nfs/dbraw/zinc/19/25/13/797192513.db2.gz UXSOWVZRFSWGSG-QWHCGFSZSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc3ncccn3n2)[C@H]1C ZINC000994049787 797258610 /nfs/dbraw/zinc/25/86/10/797258610.db2.gz HZXIDQHHJLLHOZ-CHWSQXEVSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc3ncccn3n2)[C@H]1C ZINC000994049787 797258614 /nfs/dbraw/zinc/25/86/14/797258614.db2.gz HZXIDQHHJLLHOZ-CHWSQXEVSA-N 1 2 333.823 2.065 20 30 EEEDLO CC#CCCCC(=O)NC[C@@H]1C[N@H+](Cc2ccns2)CCCO1 ZINC001150165771 797364371 /nfs/dbraw/zinc/36/43/71/797364371.db2.gz NSODIPVTKDWSEY-OAHLLOKOSA-N 1 2 335.473 2.044 20 30 EEEDLO CC#CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccns2)CCCO1 ZINC001150165771 797364377 /nfs/dbraw/zinc/36/43/77/797364377.db2.gz NSODIPVTKDWSEY-OAHLLOKOSA-N 1 2 335.473 2.044 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001082320419 797448159 /nfs/dbraw/zinc/44/81/59/797448159.db2.gz QKPVQICULFLUCM-HNNXBMFYSA-N 1 2 332.448 2.052 20 30 EEEDLO Cc1nc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)c(C)o1 ZINC001095283655 797702039 /nfs/dbraw/zinc/70/20/39/797702039.db2.gz RUWXWPMHNNHJQV-KEYYUXOJSA-N 1 2 339.399 2.027 20 30 EEEDLO Cc1nc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)c(C)o1 ZINC001095283655 797702043 /nfs/dbraw/zinc/70/20/43/797702043.db2.gz RUWXWPMHNNHJQV-KEYYUXOJSA-N 1 2 339.399 2.027 20 30 EEEDLO N#Cc1cc(Cl)cc(Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC001174492540 797768812 /nfs/dbraw/zinc/76/88/12/797768812.db2.gz JISDBFHONGPYEP-UHFFFAOYSA-N 1 2 331.807 2.484 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(OCCC)c3)[C@H]2C1 ZINC001083099119 797869194 /nfs/dbraw/zinc/86/91/94/797869194.db2.gz VFKSEHILRLCFAR-RBUKOAKNSA-N 1 2 342.439 2.024 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(OCCC)c3)[C@H]2C1 ZINC001083099119 797869201 /nfs/dbraw/zinc/86/92/01/797869201.db2.gz VFKSEHILRLCFAR-RBUKOAKNSA-N 1 2 342.439 2.024 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(-c4cccs4)on3)[C@H]2C1 ZINC001083155599 797898265 /nfs/dbraw/zinc/89/82/65/797898265.db2.gz CMGISVKKMXZUSL-DZGCQCFKSA-N 1 2 345.424 2.114 20 30 EEEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(-c4cccs4)on3)[C@H]2C1 ZINC001083155599 797898273 /nfs/dbraw/zinc/89/82/73/797898273.db2.gz CMGISVKKMXZUSL-DZGCQCFKSA-N 1 2 345.424 2.114 20 30 EEEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O)C1CCCC1 ZINC001083938064 797927964 /nfs/dbraw/zinc/92/79/64/797927964.db2.gz SWWQNLJKMVILLV-JLZZUVOBSA-N 1 2 347.484 2.107 20 30 EEEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O)C1CCCC1 ZINC001083938064 797927967 /nfs/dbraw/zinc/92/79/67/797927967.db2.gz SWWQNLJKMVILLV-JLZZUVOBSA-N 1 2 347.484 2.107 20 30 EEEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]32)CC1 ZINC001083183381 797929388 /nfs/dbraw/zinc/92/93/88/797929388.db2.gz BVTWGCHUUFCSSI-RBUKOAKNSA-N 1 2 341.455 2.240 20 30 EEEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]32)CC1 ZINC001083183381 797929395 /nfs/dbraw/zinc/92/93/95/797929395.db2.gz BVTWGCHUUFCSSI-RBUKOAKNSA-N 1 2 341.455 2.240 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cncs2)CC1 ZINC001002411878 798030679 /nfs/dbraw/zinc/03/06/79/798030679.db2.gz QHFUMFNAMHDCCV-UHFFFAOYSA-N 1 2 330.251 2.246 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1nc(C2CC2)no1 ZINC001128200372 798297309 /nfs/dbraw/zinc/29/73/09/798297309.db2.gz SHHMYGBXJGVHDW-SECBINFHSA-N 1 2 326.828 2.493 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3cncc(OC)n3)C[C@H]21 ZINC001084634773 798327461 /nfs/dbraw/zinc/32/74/61/798327461.db2.gz DJRRFJGZZDQBBO-OGWOLHLISA-N 1 2 344.459 2.120 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3cncc(OC)n3)C[C@H]21 ZINC001084634773 798327466 /nfs/dbraw/zinc/32/74/66/798327466.db2.gz DJRRFJGZZDQBBO-OGWOLHLISA-N 1 2 344.459 2.120 20 30 EEEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)c3cn[nH]c3)c2C1 ZINC001128207991 798359419 /nfs/dbraw/zinc/35/94/19/798359419.db2.gz TZBURBKGSDCIQB-UHFFFAOYSA-N 1 2 342.447 2.098 20 30 EEEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)c3cn[nH]c3)c2C1 ZINC001128207991 798359425 /nfs/dbraw/zinc/35/94/25/798359425.db2.gz TZBURBKGSDCIQB-UHFFFAOYSA-N 1 2 342.447 2.098 20 30 EEEDLO CCN(CCNc1nc(C)ccc1C#N)C(=O)c1cccc2[nH+]ccn21 ZINC001106889925 798401252 /nfs/dbraw/zinc/40/12/52/798401252.db2.gz MZDMVEISGDYFCL-UHFFFAOYSA-N 1 2 348.410 2.484 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nnc[nH]4)cc3)[C@@H]2C1 ZINC001084755197 798431837 /nfs/dbraw/zinc/43/18/37/798431837.db2.gz KQRULZJJVRKICZ-IAGOWNOFSA-N 1 2 337.427 2.194 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nnc[nH]4)cc3)[C@@H]2C1 ZINC001084755197 798431839 /nfs/dbraw/zinc/43/18/39/798431839.db2.gz KQRULZJJVRKICZ-IAGOWNOFSA-N 1 2 337.427 2.194 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)c3ccccc3)[C@@H]2C1 ZINC001084863419 798511526 /nfs/dbraw/zinc/51/15/26/798511526.db2.gz XSHAUXQICLGPSD-NVXWUHKLSA-N 1 2 333.863 2.408 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)c3ccccc3)[C@@H]2C1 ZINC001084863419 798511528 /nfs/dbraw/zinc/51/15/28/798511528.db2.gz XSHAUXQICLGPSD-NVXWUHKLSA-N 1 2 333.863 2.408 20 30 EEEDLO O=C(CCn1cc[nH+]c1)N=C(NO)c1ccc(OC(F)(F)F)cc1 ZINC001176878729 798610959 /nfs/dbraw/zinc/61/09/59/798610959.db2.gz HQMKRLXXRLETKM-UHFFFAOYSA-N 1 2 342.277 2.124 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC3CCC3)C[C@@H]21 ZINC001176969463 798663767 /nfs/dbraw/zinc/66/37/67/798663767.db2.gz LYSXEXKLBVZUJY-ZWKOTPCHSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC3CCC3)C[C@@H]21 ZINC001176969463 798663770 /nfs/dbraw/zinc/66/37/70/798663770.db2.gz LYSXEXKLBVZUJY-ZWKOTPCHSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@@H+](CC(=C)C)[C@H]3C2)CCOCC1 ZINC001177138493 798767151 /nfs/dbraw/zinc/76/71/51/798767151.db2.gz LWBMUAAIINMWIY-ZWKOTPCHSA-N 1 2 348.487 2.237 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@H+](CC(=C)C)[C@H]3C2)CCOCC1 ZINC001177138493 798767156 /nfs/dbraw/zinc/76/71/56/798767156.db2.gz LWBMUAAIINMWIY-ZWKOTPCHSA-N 1 2 348.487 2.237 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CCN(c3nc(C)[nH+]c(C)c3C)C2)cn1 ZINC001065268625 798834778 /nfs/dbraw/zinc/83/47/78/798834778.db2.gz FMPLKMIIEKHFAF-HXUWFJFHSA-N 1 2 349.438 2.177 20 30 EEEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nc(CCc2ccccc2)no1 ZINC001128414194 799348233 /nfs/dbraw/zinc/34/82/33/799348233.db2.gz WCTPVTZFMCZYPY-UHFFFAOYSA-N 1 2 342.443 2.417 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C(C)=C\CC)C2)CC1 ZINC001065692150 799368097 /nfs/dbraw/zinc/36/80/97/799368097.db2.gz POHOYTCXAOGECW-ZKLMEHKCSA-N 1 2 347.503 2.444 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CCCC3CC3)CC2)C1 ZINC001065694861 799374129 /nfs/dbraw/zinc/37/41/29/799374129.db2.gz PGWSKQBTMHTBIY-GOSISDBHSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CCCC3CC3)CC2)C1 ZINC001065694864 799374153 /nfs/dbraw/zinc/37/41/53/799374153.db2.gz PGWSKQBTMHTBIY-SFHVURJKSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)C/C=C(/C)C=C)C2)CC1 ZINC001065708658 799402166 /nfs/dbraw/zinc/40/21/66/799402166.db2.gz HHKMVDJPUSYXSR-QGEBHBTGSA-N 1 2 345.487 2.220 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCCC3CC3)C2)CC1 ZINC001065710638 799406407 /nfs/dbraw/zinc/40/64/07/799406407.db2.gz BKQREPUQOWVPIN-SFHVURJKSA-N 1 2 347.503 2.278 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC001065710564 799406692 /nfs/dbraw/zinc/40/66/92/799406692.db2.gz ABWSSAVRTSUDQX-FUHWJXTLSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC(C)C)CC2)C1 ZINC001065711532 799409018 /nfs/dbraw/zinc/40/90/18/799409018.db2.gz NQFLIAVNFRNURN-ZWKOTPCHSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([C@H](C)Nc2[nH+]cnc3c2cnn3C)C1 ZINC001065756335 799467128 /nfs/dbraw/zinc/46/71/28/799467128.db2.gz CNSBOBISCBVEPF-STQMWFEESA-N 1 2 342.447 2.224 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]([NH2+]Cc2nnc(C(C)(C)C)o2)[C@@H]1C ZINC001178587470 799523886 /nfs/dbraw/zinc/52/38/86/799523886.db2.gz NKBQZQVGPIVCIJ-KBPBESRZSA-N 1 2 332.448 2.250 20 30 EEEDLO C[C@H]1[C@@H]([NH2+]Cc2nc(C(C)(C)C)no2)CCN1C(=O)C#CC(C)(C)C ZINC001178672108 799571199 /nfs/dbraw/zinc/57/11/99/799571199.db2.gz ZSFZPYBVGUBCLW-KBPBESRZSA-N 1 2 346.475 2.496 20 30 EEEDLO C#Cc1cncc(C(=O)NC2CC[NH+](CC(=C)Br)CC2)c1 ZINC001003594541 799859376 /nfs/dbraw/zinc/85/93/76/799859376.db2.gz QGUPTEAKEOBFEE-UHFFFAOYSA-N 1 2 348.244 2.166 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H]([NH2+]Cc2nnn(C(C)(C)C)n2)[C@@H]1C ZINC001179388577 799912649 /nfs/dbraw/zinc/91/26/49/799912649.db2.gz KTDAILHWSDUTLU-KKUMJFAQSA-N 1 2 348.495 2.109 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2nn(C)c(C)c2Cl)CC1 ZINC001003717476 800040251 /nfs/dbraw/zinc/04/02/51/800040251.db2.gz WKGPGFGABQTMGF-UHFFFAOYSA-N 1 2 331.247 2.329 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(Cl)cc2F)C1 ZINC001108060216 800227844 /nfs/dbraw/zinc/22/78/44/800227844.db2.gz WVLNSLNPZYPKQX-MRXNPFEDSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(Cl)cc2F)C1 ZINC001108060216 800227847 /nfs/dbraw/zinc/22/78/47/800227847.db2.gz WVLNSLNPZYPKQX-MRXNPFEDSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2nccs2)CC1 ZINC001003835406 800301716 /nfs/dbraw/zinc/30/17/16/800301716.db2.gz XQYFQAWFPCHDMJ-UHFFFAOYSA-N 1 2 330.251 2.246 20 30 EEEDLO CN(C(=O)[C@@H]1CCOC1)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001032941463 800491131 /nfs/dbraw/zinc/49/11/31/800491131.db2.gz GVRDHVAUHDFUSB-SJORKVTESA-N 1 2 346.858 2.261 20 30 EEEDLO CN(C(=O)[C@@H]1CCOC1)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001032941463 800491136 /nfs/dbraw/zinc/49/11/36/800491136.db2.gz GVRDHVAUHDFUSB-SJORKVTESA-N 1 2 346.858 2.261 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)c1cn[nH]c1 ZINC001085499199 800641198 /nfs/dbraw/zinc/64/11/98/800641198.db2.gz WGOINAVBAGOIRJ-QGZVFWFLSA-N 1 2 342.830 2.261 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)c1cn[nH]c1 ZINC001085499199 800641202 /nfs/dbraw/zinc/64/12/02/800641202.db2.gz WGOINAVBAGOIRJ-QGZVFWFLSA-N 1 2 342.830 2.261 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001032987876 800662100 /nfs/dbraw/zinc/66/21/00/800662100.db2.gz VBLXCMFRSQOUDT-CQSZACIVSA-N 1 2 341.415 2.344 20 30 EEEDLO CC(C)c1ocnc1C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001032987876 800662105 /nfs/dbraw/zinc/66/21/05/800662105.db2.gz VBLXCMFRSQOUDT-CQSZACIVSA-N 1 2 341.415 2.344 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CCCOC1 ZINC001085515105 800682293 /nfs/dbraw/zinc/68/22/93/800682293.db2.gz UKZGJEMCWQOMAN-ZIAGYGMSSA-N 1 2 333.457 2.079 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CCCOC1 ZINC001085515105 800682298 /nfs/dbraw/zinc/68/22/98/800682298.db2.gz UKZGJEMCWQOMAN-ZIAGYGMSSA-N 1 2 333.457 2.079 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc[nH]c2C)C1 ZINC001032986924 800684253 /nfs/dbraw/zinc/68/42/53/800684253.db2.gz QDFOMBYZRYNQHU-GFCCVEGCSA-N 1 2 326.238 2.378 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc[nH]c2C)C1 ZINC001032986924 800684257 /nfs/dbraw/zinc/68/42/57/800684257.db2.gz QDFOMBYZRYNQHU-GFCCVEGCSA-N 1 2 326.238 2.378 20 30 EEEDLO CCn1cc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)cn1 ZINC001085521742 800695737 /nfs/dbraw/zinc/69/57/37/800695737.db2.gz UXDRCCMVBJQCFF-IBGZPJMESA-N 1 2 336.439 2.101 20 30 EEEDLO CCn1cc(C(=O)N(C)C[C@@H]2CC[N@H+]2CC#Cc2ccccc2)cn1 ZINC001085521742 800695739 /nfs/dbraw/zinc/69/57/39/800695739.db2.gz UXDRCCMVBJQCFF-IBGZPJMESA-N 1 2 336.439 2.101 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@H]1CCCCO1 ZINC001085546213 800745470 /nfs/dbraw/zinc/74/54/70/800745470.db2.gz VOLJCSCXEFMNBY-RTBURBONSA-N 1 2 326.440 2.140 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@H]1CCCCO1 ZINC001085546213 800745472 /nfs/dbraw/zinc/74/54/72/800745472.db2.gz VOLJCSCXEFMNBY-RTBURBONSA-N 1 2 326.440 2.140 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cc(CC)on2)CC1 ZINC001003997161 800751434 /nfs/dbraw/zinc/75/14/34/800751434.db2.gz DGVHFQMPTNYYSB-UHFFFAOYSA-N 1 2 342.237 2.340 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ocnc1C ZINC001085641650 800956570 /nfs/dbraw/zinc/95/65/70/800956570.db2.gz SHDHUCUOGALUSS-OAHLLOKOSA-N 1 2 328.416 2.317 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ocnc1C ZINC001085641650 800956572 /nfs/dbraw/zinc/95/65/72/800956572.db2.gz SHDHUCUOGALUSS-OAHLLOKOSA-N 1 2 328.416 2.317 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085651218 800969657 /nfs/dbraw/zinc/96/96/57/800969657.db2.gz MZVWBECLYFPBAB-KEYYUXOJSA-N 1 2 347.484 2.468 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085651218 800969676 /nfs/dbraw/zinc/96/96/76/800969676.db2.gz MZVWBECLYFPBAB-KEYYUXOJSA-N 1 2 347.484 2.468 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C(F)F)s2)C1 ZINC001182450457 801185740 /nfs/dbraw/zinc/18/57/40/801185740.db2.gz WSCAWHOPCKXCOM-SNVBAGLBSA-N 1 2 342.415 2.216 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnc(C)s1 ZINC001085823097 801372357 /nfs/dbraw/zinc/37/23/57/801372357.db2.gz ZPONRFVXLPACLS-IMJJTQAJSA-N 1 2 335.473 2.075 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnc(C)s1 ZINC001085823097 801372365 /nfs/dbraw/zinc/37/23/65/801372365.db2.gz ZPONRFVXLPACLS-IMJJTQAJSA-N 1 2 335.473 2.075 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)Cc2ccccc2F)C1 ZINC001108211298 801441579 /nfs/dbraw/zinc/44/15/79/801441579.db2.gz OMPUDFNPMPMBAG-UZLBHIALSA-N 1 2 346.446 2.235 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)Cc2ccccc2F)C1 ZINC001108211298 801441584 /nfs/dbraw/zinc/44/15/84/801441584.db2.gz OMPUDFNPMPMBAG-UZLBHIALSA-N 1 2 346.446 2.235 20 30 EEEDLO CCn1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)n1 ZINC001085855667 801465604 /nfs/dbraw/zinc/46/56/04/801465604.db2.gz GIVOKUGNHWJKST-SFHVURJKSA-N 1 2 336.439 2.101 20 30 EEEDLO CCn1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2CC#Cc2ccccc2)n1 ZINC001085855667 801465609 /nfs/dbraw/zinc/46/56/09/801465609.db2.gz GIVOKUGNHWJKST-SFHVURJKSA-N 1 2 336.439 2.101 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncc(CC)o2)C1 ZINC001033086362 801528744 /nfs/dbraw/zinc/52/87/44/801528744.db2.gz HSSQZAJUKHUCGU-OIISXLGYSA-N 1 2 347.459 2.251 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ncc(CC)o2)C1 ZINC001033086362 801528753 /nfs/dbraw/zinc/52/87/53/801528753.db2.gz HSSQZAJUKHUCGU-OIISXLGYSA-N 1 2 347.459 2.251 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001066361922 801929199 /nfs/dbraw/zinc/92/91/99/801929199.db2.gz ULAORKLHQUJIPM-OAHLLOKOSA-N 1 2 346.475 2.360 20 30 EEEDLO CCc1ccnc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)c1 ZINC001004449986 802071898 /nfs/dbraw/zinc/07/18/98/802071898.db2.gz LBDKCIHSLTZQGF-GOSISDBHSA-N 1 2 326.444 2.484 20 30 EEEDLO CCc1ccnc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c1 ZINC001004449986 802071903 /nfs/dbraw/zinc/07/19/03/802071903.db2.gz LBDKCIHSLTZQGF-GOSISDBHSA-N 1 2 326.444 2.484 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2cccnc2)CC1 ZINC001004476780 802178060 /nfs/dbraw/zinc/17/80/60/802178060.db2.gz ODAHYKPCJMTDON-SFHVURJKSA-N 1 2 326.444 2.241 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2cccnc2)CC1 ZINC001004476780 802178063 /nfs/dbraw/zinc/17/80/63/802178063.db2.gz ODAHYKPCJMTDON-SFHVURJKSA-N 1 2 326.444 2.241 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2ccncc2)CC1 ZINC001004481241 802186260 /nfs/dbraw/zinc/18/62/60/802186260.db2.gz LHPHDXZOGUANPI-GOSISDBHSA-N 1 2 326.444 2.241 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2ccncc2)CC1 ZINC001004481241 802186266 /nfs/dbraw/zinc/18/62/66/802186266.db2.gz LHPHDXZOGUANPI-GOSISDBHSA-N 1 2 326.444 2.241 20 30 EEEDLO C[C@@H](CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)c1cnn(C)c1 ZINC001004492849 802210644 /nfs/dbraw/zinc/21/06/44/802210644.db2.gz JTMFZVNKOIRBQQ-YJBOKZPZSA-N 1 2 343.475 2.140 20 30 EEEDLO C[C@@H](CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)c1cnn(C)c1 ZINC001004492849 802210651 /nfs/dbraw/zinc/21/06/51/802210651.db2.gz JTMFZVNKOIRBQQ-YJBOKZPZSA-N 1 2 343.475 2.140 20 30 EEEDLO C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(Br)[nH]n2)C1 ZINC001033126324 802234572 /nfs/dbraw/zinc/23/45/72/802234572.db2.gz GKCCOQLRJPOSJI-NSHDSACASA-N 1 2 341.253 2.285 20 30 EEEDLO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)[nH]n2)C1 ZINC001033126324 802234579 /nfs/dbraw/zinc/23/45/79/802234579.db2.gz GKCCOQLRJPOSJI-NSHDSACASA-N 1 2 341.253 2.285 20 30 EEEDLO CC(C)n1cnc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)c1 ZINC001004500992 802251852 /nfs/dbraw/zinc/25/18/52/802251852.db2.gz WUDQGOUIXLOGBO-QGZVFWFLSA-N 1 2 329.448 2.304 20 30 EEEDLO CC(C)n1cnc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c1 ZINC001004500992 802251857 /nfs/dbraw/zinc/25/18/57/802251857.db2.gz WUDQGOUIXLOGBO-QGZVFWFLSA-N 1 2 329.448 2.304 20 30 EEEDLO C[C@@H](Oc1cccnc1)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004542594 802337278 /nfs/dbraw/zinc/33/72/78/802337278.db2.gz MKLFGGSVQMROLL-QAPCUYQASA-N 1 2 342.443 2.075 20 30 EEEDLO C[C@@H](Oc1cccnc1)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004542594 802337288 /nfs/dbraw/zinc/33/72/88/802337288.db2.gz MKLFGGSVQMROLL-QAPCUYQASA-N 1 2 342.443 2.075 20 30 EEEDLO CC(C)n1ccc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004567670 802385512 /nfs/dbraw/zinc/38/55/12/802385512.db2.gz KNRGTBHEBCKLRV-QGZVFWFLSA-N 1 2 329.448 2.304 20 30 EEEDLO CC(C)n1ccc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004567670 802385521 /nfs/dbraw/zinc/38/55/21/802385521.db2.gz KNRGTBHEBCKLRV-QGZVFWFLSA-N 1 2 329.448 2.304 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cccc3nc[nH]c32)CC1 ZINC001004577182 802402692 /nfs/dbraw/zinc/40/26/92/802402692.db2.gz QSRTVBCMBZZOER-QGZVFWFLSA-N 1 2 337.427 2.403 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cccc3nc[nH]c32)CC1 ZINC001004577182 802402698 /nfs/dbraw/zinc/40/26/98/802402698.db2.gz QSRTVBCMBZZOER-QGZVFWFLSA-N 1 2 337.427 2.403 20 30 EEEDLO Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004579410 802411906 /nfs/dbraw/zinc/41/19/06/802411906.db2.gz BGDNXTDYGHCYJE-CXAGYDPISA-N 1 2 343.475 2.357 20 30 EEEDLO Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004579410 802411912 /nfs/dbraw/zinc/41/19/12/802411912.db2.gz BGDNXTDYGHCYJE-CXAGYDPISA-N 1 2 343.475 2.357 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001033146267 802412813 /nfs/dbraw/zinc/41/28/13/802412813.db2.gz KMJXMXJSNLWAPI-AWEZNQCLSA-N 1 2 347.850 2.314 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001033146267 802412820 /nfs/dbraw/zinc/41/28/20/802412820.db2.gz KMJXMXJSNLWAPI-AWEZNQCLSA-N 1 2 347.850 2.314 20 30 EEEDLO COc1cccc(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c1 ZINC001004609069 802476752 /nfs/dbraw/zinc/47/67/52/802476752.db2.gz DVZMLGDLLXTFHB-IBGZPJMESA-N 1 2 341.455 2.464 20 30 EEEDLO COc1cccc(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c1 ZINC001004609069 802476757 /nfs/dbraw/zinc/47/67/57/802476757.db2.gz DVZMLGDLLXTFHB-IBGZPJMESA-N 1 2 341.455 2.464 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)COc2ccccc2F)CC1 ZINC001004625449 802489287 /nfs/dbraw/zinc/48/92/87/802489287.db2.gz UUFQCWRKZSYTOQ-KRWDZBQOSA-N 1 2 345.418 2.431 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)COc2ccccc2F)CC1 ZINC001004625449 802489290 /nfs/dbraw/zinc/48/92/90/802489290.db2.gz UUFQCWRKZSYTOQ-KRWDZBQOSA-N 1 2 345.418 2.431 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001066462662 802621168 /nfs/dbraw/zinc/62/11/68/802621168.db2.gz JHLLRFFIOUMBAY-JKSUJKDBSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001066462662 802621172 /nfs/dbraw/zinc/62/11/72/802621172.db2.gz JHLLRFFIOUMBAY-JKSUJKDBSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001066501999 802799770 /nfs/dbraw/zinc/79/97/70/802799770.db2.gz PKTBPZAIBNERAW-OAHLLOKOSA-N 1 2 344.459 2.196 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c(C)oc(C)c2C)[C@H](O)C1 ZINC001090416516 803262559 /nfs/dbraw/zinc/26/25/59/803262559.db2.gz IIHLTQFGUHVIIB-ZIAGYGMSSA-N 1 2 326.824 2.122 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)oc(C)c2C)[C@H](O)C1 ZINC001090416516 803262566 /nfs/dbraw/zinc/26/25/66/803262566.db2.gz IIHLTQFGUHVIIB-ZIAGYGMSSA-N 1 2 326.824 2.122 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)COC[C@H](C)c2ccccc2)C1 ZINC001108371281 803382925 /nfs/dbraw/zinc/38/29/25/803382925.db2.gz QHMPGSWGRKSBHR-PXNSSMCTSA-N 1 2 346.471 2.200 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)COC[C@H](C)c2ccccc2)C1 ZINC001108371281 803382934 /nfs/dbraw/zinc/38/29/34/803382934.db2.gz QHMPGSWGRKSBHR-PXNSSMCTSA-N 1 2 346.471 2.200 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(Br)o2)C1 ZINC001108364104 803392013 /nfs/dbraw/zinc/39/20/13/803392013.db2.gz MVJOQTCMNDYUPX-CQSZACIVSA-N 1 2 343.221 2.049 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(Br)o2)C1 ZINC001108364104 803392021 /nfs/dbraw/zinc/39/20/21/803392021.db2.gz MVJOQTCMNDYUPX-CQSZACIVSA-N 1 2 343.221 2.049 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001108411587 803484886 /nfs/dbraw/zinc/48/48/86/803484886.db2.gz BXXMBJBTWXWLFF-HXUWFJFHSA-N 1 2 326.440 2.408 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001108411587 803484891 /nfs/dbraw/zinc/48/48/91/803484891.db2.gz BXXMBJBTWXWLFF-HXUWFJFHSA-N 1 2 326.440 2.408 20 30 EEEDLO C=CCCOCC(=O)NC[C@@]1(C)C[N@H+](Cc2ccsc2)CCO1 ZINC001108429459 803542651 /nfs/dbraw/zinc/54/26/51/803542651.db2.gz IKFWDXMABIFEKC-KRWDZBQOSA-N 1 2 338.473 2.048 20 30 EEEDLO C=CCCOCC(=O)NC[C@@]1(C)C[N@@H+](Cc2ccsc2)CCO1 ZINC001108429459 803542652 /nfs/dbraw/zinc/54/26/52/803542652.db2.gz IKFWDXMABIFEKC-KRWDZBQOSA-N 1 2 338.473 2.048 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001108429715 803543687 /nfs/dbraw/zinc/54/36/87/803543687.db2.gz MZIGJKDHBJGDNR-SCTDSRPQSA-N 1 2 332.419 2.322 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001108429715 803543690 /nfs/dbraw/zinc/54/36/90/803543690.db2.gz MZIGJKDHBJGDNR-SCTDSRPQSA-N 1 2 332.419 2.322 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)Cc2ccccc2C)C1 ZINC001108430960 803547297 /nfs/dbraw/zinc/54/72/97/803547297.db2.gz RSAXFULCBVQPNL-GHTZIAJQSA-N 1 2 342.483 2.404 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)Cc2ccccc2C)C1 ZINC001108430960 803547301 /nfs/dbraw/zinc/54/73/01/803547301.db2.gz RSAXFULCBVQPNL-GHTZIAJQSA-N 1 2 342.483 2.404 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)C(C)(C)C(C)(C)C)CC2=O)C1 ZINC001108564186 804099750 /nfs/dbraw/zinc/09/97/50/804099750.db2.gz DTXUTKJVFGLCEW-AWEZNQCLSA-N 1 2 335.492 2.036 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C[C@H](CC)C(C)(C)C)CC2=O)C1 ZINC001108584960 804222590 /nfs/dbraw/zinc/22/25/90/804222590.db2.gz MVQPXWAUHUTYSX-LSDHHAIUSA-N 1 2 335.492 2.036 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CC(=C)C)C3)C2)CCCC1 ZINC001108595400 804243863 /nfs/dbraw/zinc/24/38/63/804243863.db2.gz NNYPDFYICQTIBW-MRXNPFEDSA-N 1 2 345.487 2.100 20 30 EEEDLO C=CCCOCCCCC(=O)N[C@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001109103934 804947702 /nfs/dbraw/zinc/94/77/02/804947702.db2.gz OPRILUPLPIMPJW-OAHLLOKOSA-N 1 2 334.464 2.489 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H](C)CN(C)c2nc(C)[nH+]c(C)c2C)c1 ZINC001109244241 805182239 /nfs/dbraw/zinc/18/22/39/805182239.db2.gz LKDNPTAKWDMYLV-LBPRGKRZSA-N 1 2 337.427 2.033 20 30 EEEDLO C=CCOCCCC(=O)N1CCC[C@@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001112785020 807236288 /nfs/dbraw/zinc/23/62/88/807236288.db2.gz PPCZIQSIMSTQIY-MRXNPFEDSA-N 1 2 332.448 2.195 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+](Cc2cnccc2C)CC1)OCC ZINC001112907131 807577800 /nfs/dbraw/zinc/57/78/00/807577800.db2.gz ZWVPSPVWODMFIZ-GOSISDBHSA-N 1 2 331.460 2.406 20 30 EEEDLO C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@H](C)Nc1ccc(C#N)nc1 ZINC001113220448 808468510 /nfs/dbraw/zinc/46/85/10/808468510.db2.gz QSHYBOKMLKAHCD-QWHCGFSZSA-N 1 2 334.383 2.220 20 30 EEEDLO C[C@@H](Nc1ncc(C#N)cc1Cl)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001113238395 808519339 /nfs/dbraw/zinc/51/93/39/808519339.db2.gz KRBSAYWUWFMOFJ-NWDGAFQWSA-N 1 2 346.822 2.199 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001113256477 808577994 /nfs/dbraw/zinc/57/79/94/808577994.db2.gz SNQIIUANLLLUEX-NEPJUHHUSA-N 1 2 334.468 2.153 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@@H](C)[C@H](C)Nc2cnc(C#N)cn2)c(C)[nH+]1 ZINC001113382208 808866293 /nfs/dbraw/zinc/86/62/93/808866293.db2.gz PSHQYGXXJHILEV-STQMWFEESA-N 1 2 338.415 2.287 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccn(C(CC)CC)n2)CC1 ZINC001113403154 808888134 /nfs/dbraw/zinc/88/81/34/808888134.db2.gz VXLJTZASNQCMGJ-UHFFFAOYSA-N 1 2 334.464 2.205 20 30 EEEDLO C=CCCOCC(=O)N1CC[NH+](CCOc2ccccc2C)CC1 ZINC001113710321 809613862 /nfs/dbraw/zinc/61/38/62/809613862.db2.gz KRUHYLLBBVCVIE-UHFFFAOYSA-N 1 2 332.444 2.111 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](Cc2cccc(OC)c2C)CC1 ZINC001113713251 809618946 /nfs/dbraw/zinc/61/89/46/809618946.db2.gz MVFXKBPADAJMAC-MRXNPFEDSA-N 1 2 332.444 2.239 20 30 EEEDLO 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Cn1c2c(cccc2F)[nH+]c1N1CCN(c2ccc(C#N)cn2)CC1 ZINC000443518345 242123096 /nfs/dbraw/zinc/12/30/96/242123096.db2.gz RVMOTVBUFHNPRI-UHFFFAOYSA-N 1 2 336.374 2.306 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000447874320 242330007 /nfs/dbraw/zinc/33/00/07/242330007.db2.gz WKACXDWGVMIUIO-YGRLFVJLSA-N 1 2 333.457 2.138 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000447874320 242330011 /nfs/dbraw/zinc/33/00/11/242330011.db2.gz WKACXDWGVMIUIO-YGRLFVJLSA-N 1 2 333.457 2.138 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC000459533630 245156778 /nfs/dbraw/zinc/15/67/78/245156778.db2.gz GOTBTHOTBYAQOH-UHFFFAOYSA-N 1 2 328.412 2.032 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC000459533630 245156783 /nfs/dbraw/zinc/15/67/83/245156783.db2.gz GOTBTHOTBYAQOH-UHFFFAOYSA-N 1 2 328.412 2.032 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)NCc2ccccc2C)n1 ZINC000491809028 246163579 /nfs/dbraw/zinc/16/35/79/246163579.db2.gz FRMJLRPRUXISER-KRWDZBQOSA-N 1 2 338.455 2.352 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NCc2ccccc2C)n1 ZINC000491809028 246163585 /nfs/dbraw/zinc/16/35/85/246163585.db2.gz FRMJLRPRUXISER-KRWDZBQOSA-N 1 2 338.455 2.352 20 30 EEEDLO N#Cc1ccc(CN[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)o1 ZINC000266128214 248116273 /nfs/dbraw/zinc/11/62/73/248116273.db2.gz CBOQUIRDARQWGW-APWZRJJASA-N 1 2 325.412 2.124 20 30 EEEDLO N#Cc1ccc(CN[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)o1 ZINC000266128214 248116275 /nfs/dbraw/zinc/11/62/75/248116275.db2.gz CBOQUIRDARQWGW-APWZRJJASA-N 1 2 325.412 2.124 20 30 EEEDLO C[C@H](N1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000268611680 252065624 /nfs/dbraw/zinc/06/56/24/252065624.db2.gz KWTGDQLJWWJIHF-WFASDCNBSA-N 1 2 327.350 2.160 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CCCCO3)CC2)cc1 ZINC000267949212 256099412 /nfs/dbraw/zinc/09/94/12/256099412.db2.gz YAUZWKFJOPCQCH-GOSISDBHSA-N 1 2 327.428 2.162 20 30 EEEDLO CC1(C)C[NH+]=C(N2CCN(c3nc4ccccn4c3C#N)CC2)S1 ZINC000272908891 256248844 /nfs/dbraw/zinc/24/88/44/256248844.db2.gz NQDVDHDUONKCMP-UHFFFAOYSA-N 1 2 340.456 2.209 20 30 EEEDLO Cc1nnc([C@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000273727845 256322410 /nfs/dbraw/zinc/32/24/10/256322410.db2.gz SSAHNECOIWKZQQ-HZMBPMFUSA-N 1 2 327.413 2.174 20 30 EEEDLO CCCC[NH+]1CCC(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)CC1 ZINC000068443803 292162457 /nfs/dbraw/zinc/16/24/57/292162457.db2.gz NPNULWAACNKTGE-UHFFFAOYSA-N 1 2 348.472 2.375 20 30 EEEDLO N#Cc1cccc(F)c1CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354096558 153104319 /nfs/dbraw/zinc/10/43/19/153104319.db2.gz KEFCOYTZKZBFON-OAHLLOKOSA-N 1 2 325.343 2.315 20 30 EEEDLO CS(=O)(=O)Nc1cccc2c1CC[N@H+](Cc1ccccc1C#N)C2 ZINC000193796074 160187230 /nfs/dbraw/zinc/18/72/30/160187230.db2.gz YJEPMMUHJPIFDO-UHFFFAOYSA-N 1 2 341.436 2.488 20 30 EEEDLO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](Cc1ccccc1C#N)C2 ZINC000193796074 160187231 /nfs/dbraw/zinc/18/72/31/160187231.db2.gz YJEPMMUHJPIFDO-UHFFFAOYSA-N 1 2 341.436 2.488 20 30 EEEDLO C[C@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)Cn1cc[nH+]c1 ZINC000342750433 161087846 /nfs/dbraw/zinc/08/78/46/161087846.db2.gz NBDJJOHYUVLTCG-CQSZACIVSA-N 1 2 334.383 2.007 20 30 EEEDLO N#Cc1ccccc1OCC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000359983877 164208648 /nfs/dbraw/zinc/20/86/48/164208648.db2.gz GABNSWVBTKCNEI-UHFFFAOYSA-N 1 2 332.363 2.439 20 30 EEEDLO CCN1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000359991802 164210999 /nfs/dbraw/zinc/21/09/99/164210999.db2.gz IEPVMWLGJAIGEG-OAHLLOKOSA-N 1 2 326.360 2.073 20 30 EEEDLO Cc1oc(NC(=O)C[NH+]2CCC([C@H]3CCOC3)CC2)c(C#N)c1C ZINC000368233110 166074052 /nfs/dbraw/zinc/07/40/52/166074052.db2.gz DRRWJAPKEDKETC-HNNXBMFYSA-N 1 2 331.416 2.455 20 30 EEEDLO CC(C)[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000120373341 221561086 /nfs/dbraw/zinc/56/10/86/221561086.db2.gz VDHMXCNEZGXPDU-WBVHZDCISA-N 1 2 348.443 2.254 20 30 EEEDLO C[C@H]1CCCN(C(=O)C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000332530165 267212826 /nfs/dbraw/zinc/21/28/26/267212826.db2.gz UZECWDVMBNWKBX-HNNXBMFYSA-N 1 2 344.434 2.078 20 30 EEEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000451933086 267257916 /nfs/dbraw/zinc/25/79/16/267257916.db2.gz ULDSSHTXKNVEKR-SNVBAGLBSA-N 1 2 338.820 2.468 20 30 EEEDLO CNc1cc(N2CCC[C@H]2CNc2ncc3c(c2C#N)CCC3)nc[nH+]1 ZINC000425224825 267353509 /nfs/dbraw/zinc/35/35/09/267353509.db2.gz LJCIPIQDLLKIBB-AWEZNQCLSA-N 1 2 349.442 2.355 20 30 EEEDLO CNc1cc(N2CCC[C@H]2CNc2ncc3c(c2C#N)CCC3)[nH+]cn1 ZINC000425224825 267353512 /nfs/dbraw/zinc/35/35/12/267353512.db2.gz LJCIPIQDLLKIBB-AWEZNQCLSA-N 1 2 349.442 2.355 20 30 EEEDLO Cc1ccc(C#N)cc1NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000298369507 267388672 /nfs/dbraw/zinc/38/86/72/267388672.db2.gz KQMUIKORJCUJFS-OAHLLOKOSA-N 1 2 341.415 2.482 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000301089087 268117065 /nfs/dbraw/zinc/11/70/65/268117065.db2.gz MCOAPDCXUMKLGV-UHFFFAOYSA-N 1 2 338.386 2.458 20 30 EEEDLO N#Cc1ccc([N+](=O)[O-])c(NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000302201000 268217974 /nfs/dbraw/zinc/21/79/74/268217974.db2.gz HKJXJINYLAUCDO-INIZCTEOSA-N 1 2 348.428 2.086 20 30 EEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000528394529 268296320 /nfs/dbraw/zinc/29/63/20/268296320.db2.gz LEOAKBLCPSSYAA-RBUKOAKNSA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000528394529 268296322 /nfs/dbraw/zinc/29/63/22/268296322.db2.gz LEOAKBLCPSSYAA-RBUKOAKNSA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1c(N2CCC[N@H+](Cc3cscn3)CC2)nc2ccccn12 ZINC000272787943 269020611 /nfs/dbraw/zinc/02/06/11/269020611.db2.gz BOLANOIBAIXTRV-UHFFFAOYSA-N 1 2 338.440 2.375 20 30 EEEDLO N#Cc1c(N2CCC[N@@H+](Cc3cscn3)CC2)nc2ccccn12 ZINC000272787943 269020613 /nfs/dbraw/zinc/02/06/13/269020613.db2.gz BOLANOIBAIXTRV-UHFFFAOYSA-N 1 2 338.440 2.375 20 30 EEEDLO C[C@@H]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)C[C@H]1n1cc[nH+]c1 ZINC000127158563 278527462 /nfs/dbraw/zinc/52/74/62/278527462.db2.gz USZFYDLGNFZJAW-GDBMZVCRSA-N 1 2 337.379 2.073 20 30 EEEDLO CN1CC[N@H+](C)C[C@@H]1c1noc(C(C)(C)c2cc(F)cc(C#N)c2)n1 ZINC000350046927 312313464 /nfs/dbraw/zinc/31/34/64/312313464.db2.gz IVHSNGATBWUDLZ-OAHLLOKOSA-N 1 2 343.406 2.325 20 30 EEEDLO CN1CC[N@@H+](C)C[C@@H]1c1noc(C(C)(C)c2cc(F)cc(C#N)c2)n1 ZINC000350046927 312313465 /nfs/dbraw/zinc/31/34/65/312313465.db2.gz IVHSNGATBWUDLZ-OAHLLOKOSA-N 1 2 343.406 2.325 20 30 EEEDLO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000184833098 323428279 /nfs/dbraw/zinc/42/82/79/323428279.db2.gz LPRUWBLDMIMRSS-CYBMUJFWSA-N 1 2 334.383 2.393 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1scnc1C1CC1 ZINC000581584213 324282356 /nfs/dbraw/zinc/28/23/56/324282356.db2.gz VXOBHFQVHHQIKM-GFCCVEGCSA-N 1 2 340.456 2.393 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1scnc1C1CC1 ZINC000581584213 324282358 /nfs/dbraw/zinc/28/23/58/324282358.db2.gz VXOBHFQVHHQIKM-GFCCVEGCSA-N 1 2 340.456 2.393 20 30 EEEDLO CCc1nc(C#N)cc(NCc2cc[nH+]c(N3CCSCC3)c2)n1 ZINC000601240751 449768682 /nfs/dbraw/zinc/76/86/82/449768682.db2.gz PJMLUMRNQPOVJT-UHFFFAOYSA-N 1 2 340.456 2.471 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCCC23CCOCC3)C1 ZINC000328693826 465101990 /nfs/dbraw/zinc/10/19/90/465101990.db2.gz CRNGHOSYCPTNJT-CABCVRRESA-N 1 2 332.448 2.473 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc3c(c2)N(C)CCO3)C1 ZINC000328781000 465127223 /nfs/dbraw/zinc/12/72/23/465127223.db2.gz FNMIVITZPHWBIG-CYBMUJFWSA-N 1 2 341.415 2.284 20 30 EEEDLO Cn1c2c([nH+]c1[C@H]1CCCN1S(=O)(=O)CC1(C#N)CC1)CCCC2 ZINC000328817309 465136963 /nfs/dbraw/zinc/13/69/63/465136963.db2.gz OBELAOZBDWOAER-OAHLLOKOSA-N 1 2 348.472 2.069 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cccc3c2OCCO3)C1 ZINC000328857616 465149504 /nfs/dbraw/zinc/14/95/04/465149504.db2.gz KSCBXMLYROORLC-GFCCVEGCSA-N 1 2 328.372 2.226 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 ZINC000328866862 465151964 /nfs/dbraw/zinc/15/19/64/465151964.db2.gz NZVMCYHTJPBZGD-LLVKDONJSA-N 1 2 341.371 2.436 20 30 EEEDLO Cc1cn2cc(NC(=O)N3CC[C@@H](c4nc(C)no4)C3)ccc2[nH+]1 ZINC000328986092 465193489 /nfs/dbraw/zinc/19/34/89/465193489.db2.gz ZVTYXBJINHLHSS-GFCCVEGCSA-N 1 2 326.360 2.369 20 30 EEEDLO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000329094524 465231304 /nfs/dbraw/zinc/23/13/04/465231304.db2.gz XQEWSYLIHPFNOK-MSOLQXFVSA-N 1 2 346.475 2.174 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2C)C1=O ZINC000337233169 465257627 /nfs/dbraw/zinc/25/76/27/465257627.db2.gz WFLYTZLQOBZFPB-OAHLLOKOSA-N 1 2 335.835 2.306 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2C)C1=O ZINC000337233169 465257628 /nfs/dbraw/zinc/25/76/28/465257628.db2.gz WFLYTZLQOBZFPB-OAHLLOKOSA-N 1 2 335.835 2.306 20 30 EEEDLO C=C(C)CN(CC)C(=O)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000297969633 465275903 /nfs/dbraw/zinc/27/59/03/465275903.db2.gz WCIWUMOOYJHXLJ-OAHLLOKOSA-N 1 2 349.500 2.378 20 30 EEEDLO O=C(NCc1cn2ccccc2[nH+]1)N[C@H]1CCOC2(CCOCC2)C1 ZINC000329328432 465300659 /nfs/dbraw/zinc/30/06/59/465300659.db2.gz XTLKNEVOUXPNPA-AWEZNQCLSA-N 1 2 344.415 2.066 20 30 EEEDLO O=C(Nc1cccc(C(=O)N2CCn3cc[nH+]c3C2)c1)[C@@H]1CCCO1 ZINC000329358414 465310980 /nfs/dbraw/zinc/31/09/80/465310980.db2.gz XCXILALXAGAWCS-HNNXBMFYSA-N 1 2 340.383 2.306 20 30 EEEDLO CN(CC1(O)CCC1)C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329514051 465358603 /nfs/dbraw/zinc/35/86/03/465358603.db2.gz LRQMMOUYGFHKHN-ZDUSSCGKSA-N 1 2 334.464 2.256 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H](OC)c2ccccc2)n1 ZINC000491104434 468301604 /nfs/dbraw/zinc/30/16/04/468301604.db2.gz SODRDSZJRYOARD-IBGZPJMESA-N 1 2 327.428 2.352 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H](OC)c2ccccc2)n1 ZINC000491104434 468301607 /nfs/dbraw/zinc/30/16/07/468301607.db2.gz SODRDSZJRYOARD-IBGZPJMESA-N 1 2 327.428 2.352 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H](OC)c2ccccc2)n1 ZINC000491104435 468302030 /nfs/dbraw/zinc/30/20/30/468302030.db2.gz SODRDSZJRYOARD-LJQANCHMSA-N 1 2 327.428 2.352 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H](OC)c2ccccc2)n1 ZINC000491104435 468302035 /nfs/dbraw/zinc/30/20/35/468302035.db2.gz SODRDSZJRYOARD-LJQANCHMSA-N 1 2 327.428 2.352 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2CC=C)CC1 ZINC000491106758 468302050 /nfs/dbraw/zinc/30/20/50/468302050.db2.gz ZGSDOTSIRJWHRP-UHFFFAOYSA-N 1 2 335.455 2.119 20 30 EEEDLO N#Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1Cl ZINC000127790658 462583268 /nfs/dbraw/zinc/58/32/68/462583268.db2.gz QIOXQRDHZWHBGQ-OAHLLOKOSA-N 1 2 333.819 2.148 20 30 EEEDLO C#CC[N@@H+](CC(=O)Nc1nnc(-c2ccco2)o1)Cc1ccccc1 ZINC000491127251 468306675 /nfs/dbraw/zinc/30/66/75/468306675.db2.gz VTAWNMQAIVGAPN-UHFFFAOYSA-N 1 2 336.351 2.404 20 30 EEEDLO C#CC[N@H+](CC(=O)Nc1nnc(-c2ccco2)o1)Cc1ccccc1 ZINC000491127251 468306679 /nfs/dbraw/zinc/30/66/79/468306679.db2.gz VTAWNMQAIVGAPN-UHFFFAOYSA-N 1 2 336.351 2.404 20 30 EEEDLO C=CC[N@@H+](CC(=O)NC(=O)NCCCC)Cc1cccc(C#N)c1 ZINC000063300454 462639799 /nfs/dbraw/zinc/63/97/99/462639799.db2.gz UPQDZACYBUQVKZ-UHFFFAOYSA-N 1 2 328.416 2.172 20 30 EEEDLO C=CC[N@H+](CC(=O)NC(=O)NCCCC)Cc1cccc(C#N)c1 ZINC000063300454 462639804 /nfs/dbraw/zinc/63/98/04/462639804.db2.gz UPQDZACYBUQVKZ-UHFFFAOYSA-N 1 2 328.416 2.172 20 30 EEEDLO C[C@H](CNC(=O)CSCc1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000153599746 462668520 /nfs/dbraw/zinc/66/85/20/462668520.db2.gz MQZDQCZWRDBMPJ-CQSZACIVSA-N 1 2 328.441 2.440 20 30 EEEDLO COC(=O)c1sccc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046528947 462686710 /nfs/dbraw/zinc/68/67/10/462686710.db2.gz ZXNBYXBFQWOFTH-UHFFFAOYSA-N 1 2 343.408 2.477 20 30 EEEDLO COC(=O)c1sccc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046528947 462686713 /nfs/dbraw/zinc/68/67/13/462686713.db2.gz ZXNBYXBFQWOFTH-UHFFFAOYSA-N 1 2 343.408 2.477 20 30 EEEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000007017115 462717898 /nfs/dbraw/zinc/71/78/98/462717898.db2.gz MXJVNPAQMWNKDN-LJQANCHMSA-N 1 2 345.443 2.116 20 30 EEEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000007017115 462717902 /nfs/dbraw/zinc/71/79/02/462717902.db2.gz MXJVNPAQMWNKDN-LJQANCHMSA-N 1 2 345.443 2.116 20 30 EEEDLO NC(=[NH+]OCC(=O)NC1CCCCCC1)c1ccc(F)c(F)c1 ZINC000065205713 462743414 /nfs/dbraw/zinc/74/34/14/462743414.db2.gz FFIXWZORGFCIQJ-UHFFFAOYSA-N 1 2 325.359 2.441 20 30 EEEDLO C#CC[NH+]1CCN(Cn2nc(Cc3cccc(F)c3)oc2=S)CC1 ZINC000075711817 462751927 /nfs/dbraw/zinc/75/19/27/462751927.db2.gz CXVKPXIHUYHROC-UHFFFAOYSA-N 1 2 346.431 2.144 20 30 EEEDLO Cc1csc(N2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)n1 ZINC000047891197 462833211 /nfs/dbraw/zinc/83/32/11/462833211.db2.gz VCRCUQWXEISSSZ-WMLDXEAASA-N 1 2 349.504 2.017 20 30 EEEDLO C#CCNC(=O)C1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000491203364 468322679 /nfs/dbraw/zinc/32/26/79/468322679.db2.gz VLSVAEJOXRDTHA-UHFFFAOYSA-N 1 2 346.381 2.393 20 30 EEEDLO CC[N@@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)C[C@H](C)C#N ZINC000066424982 462888038 /nfs/dbraw/zinc/88/80/38/462888038.db2.gz WWERPEHDKQBYFR-PBHICJAKSA-N 1 2 333.407 2.207 20 30 EEEDLO CC[N@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)C[C@H](C)C#N ZINC000066424982 462888043 /nfs/dbraw/zinc/88/80/43/462888043.db2.gz WWERPEHDKQBYFR-PBHICJAKSA-N 1 2 333.407 2.207 20 30 EEEDLO C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2cn3ccccc3[nH+]2)C1=O ZINC000076940364 462924608 /nfs/dbraw/zinc/92/46/08/462924608.db2.gz AGOMPZDUCMDNLP-LJQANCHMSA-N 1 2 345.362 2.173 20 30 EEEDLO C[NH+]1CCC(C#N)(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)CC1 ZINC000077038940 462937044 /nfs/dbraw/zinc/93/70/44/462937044.db2.gz RSSQTOADULGTEE-UHFFFAOYSA-N 1 2 339.439 2.242 20 30 EEEDLO NC(=[NH+]OCc1noc(C2CC2)n1)c1ccc(N2CCCCC2)nc1 ZINC000067098935 462965162 /nfs/dbraw/zinc/96/51/62/462965162.db2.gz HAUNNAKTGHRLRM-UHFFFAOYSA-N 1 2 342.403 2.169 20 30 EEEDLO COc1cc(C)c(CN(CCC#N)CC[NH+]2CCOCC2)cc1OC ZINC000156027780 462970290 /nfs/dbraw/zinc/97/02/90/462970290.db2.gz WIQWCIVRHFZEHQ-UHFFFAOYSA-N 1 2 347.459 2.060 20 30 EEEDLO C=CCc1cc(C[N@H+](CCS(C)(=O)=O)C2CC2)cc(OC)c1O ZINC000093816435 463048569 /nfs/dbraw/zinc/04/85/69/463048569.db2.gz CGHGNKNYPZXFTF-UHFFFAOYSA-N 1 2 339.457 2.138 20 30 EEEDLO C=CCc1cc(C[N@@H+](CCS(C)(=O)=O)C2CC2)cc(OC)c1O ZINC000093816435 463048576 /nfs/dbraw/zinc/04/85/76/463048576.db2.gz CGHGNKNYPZXFTF-UHFFFAOYSA-N 1 2 339.457 2.138 20 30 EEEDLO CCc1ccc(O[C@@H](C)C(=O)N2CC[NH+](CCCC#N)CC2)cc1 ZINC000120874458 463048876 /nfs/dbraw/zinc/04/88/76/463048876.db2.gz CEDFQKTVILZKSJ-INIZCTEOSA-N 1 2 329.444 2.464 20 30 EEEDLO Cc1cccn2cc(CN3CCN(c4cc(C#N)ccn4)CC3)[nH+]c12 ZINC000051877448 463052656 /nfs/dbraw/zinc/05/26/56/463052656.db2.gz QXBIBTHNBBSUGZ-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO Cc1cccn2cc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)nc12 ZINC000051877448 463052659 /nfs/dbraw/zinc/05/26/59/463052659.db2.gz QXBIBTHNBBSUGZ-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO CC(C)C[C@H](CNc1ncc([N+](=O)[O-])cc1C#N)[NH+]1CCOCC1 ZINC000068127396 463095790 /nfs/dbraw/zinc/09/57/90/463095790.db2.gz STOOHDKTZXDSAH-CQSZACIVSA-N 1 2 333.392 2.020 20 30 EEEDLO C[C@H]1CO[C@H](CO)C[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000157143477 463102253 /nfs/dbraw/zinc/10/22/53/463102253.db2.gz PDKXACHTSIQQNK-WFASDCNBSA-N 1 2 329.318 2.018 20 30 EEEDLO C[C@H]1CO[C@H](CO)C[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000157143477 463102260 /nfs/dbraw/zinc/10/22/60/463102260.db2.gz PDKXACHTSIQQNK-WFASDCNBSA-N 1 2 329.318 2.018 20 30 EEEDLO C=C(C)COCCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000135033514 463109174 /nfs/dbraw/zinc/10/91/74/463109174.db2.gz QCWROSBXDMWUNT-UHFFFAOYSA-N 1 2 332.448 2.464 20 30 EEEDLO N#Cc1ccccc1N1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000078512737 463122946 /nfs/dbraw/zinc/12/29/46/463122946.db2.gz YENZPIVIGDYBBJ-DEOSSOPVSA-N 1 2 339.464 2.488 20 30 EEEDLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000025529283 463128644 /nfs/dbraw/zinc/12/86/44/463128644.db2.gz YTAXWSHZBPMAMY-JSGCOSHPSA-N 1 2 347.415 2.370 20 30 EEEDLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000025529283 463128646 /nfs/dbraw/zinc/12/86/46/463128646.db2.gz YTAXWSHZBPMAMY-JSGCOSHPSA-N 1 2 347.415 2.370 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)[C@@H](C)Sc2ccc(OC)cc2)CC1 ZINC000068444389 463138337 /nfs/dbraw/zinc/13/83/37/463138337.db2.gz YJAFSTQPHXRIRK-OAHLLOKOSA-N 1 2 332.469 2.343 20 30 EEEDLO N#CCCCCS(=O)(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000068881329 463185892 /nfs/dbraw/zinc/18/58/92/463185892.db2.gz IYPLFPFFTXZKTR-UHFFFAOYSA-N 1 2 336.461 2.185 20 30 EEEDLO C#CC[N@@H+](CC(=O)N(CCC#N)c1ccc(OCC)cc1)C1CC1 ZINC000491303762 468345594 /nfs/dbraw/zinc/34/55/94/468345594.db2.gz CCVKCDPHPYAEKG-UHFFFAOYSA-N 1 2 325.412 2.430 20 30 EEEDLO C#CC[N@H+](CC(=O)N(CCC#N)c1ccc(OCC)cc1)C1CC1 ZINC000491303762 468345600 /nfs/dbraw/zinc/34/56/00/468345600.db2.gz CCVKCDPHPYAEKG-UHFFFAOYSA-N 1 2 325.412 2.430 20 30 EEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000069563055 463275903 /nfs/dbraw/zinc/27/59/03/463275903.db2.gz DKWCOEZCJNPSQQ-UHFFFAOYSA-N 1 2 347.378 2.078 20 30 EEEDLO CCCCCNC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055172116 463291163 /nfs/dbraw/zinc/29/11/63/463291163.db2.gz VJWRQCVQKSLFST-UHFFFAOYSA-N 1 2 342.487 2.372 20 30 EEEDLO CCCCCNC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055172116 463291167 /nfs/dbraw/zinc/29/11/67/463291167.db2.gz VJWRQCVQKSLFST-UHFFFAOYSA-N 1 2 342.487 2.372 20 30 EEEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2cccs2)CC1 ZINC000070791785 463385522 /nfs/dbraw/zinc/38/55/22/463385522.db2.gz LELQMXLHGUNLQY-UHFFFAOYSA-N 1 2 329.385 2.245 20 30 EEEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000160996215 463389734 /nfs/dbraw/zinc/38/97/34/463389734.db2.gz CGFWTWDOOSZXDU-SFHVURJKSA-N 1 2 330.428 2.075 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000056410995 463399425 /nfs/dbraw/zinc/39/94/25/463399425.db2.gz UWXFFSJKQBMKIY-GFCCVEGCSA-N 1 2 327.344 2.402 20 30 EEEDLO COc1ccc(CC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000071832812 463435130 /nfs/dbraw/zinc/43/51/30/463435130.db2.gz XZCUCOCBEOWHHV-UHFFFAOYSA-N 1 2 349.434 2.454 20 30 EEEDLO Cc1ccc(C)c(N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)c1 ZINC000164613793 463628283 /nfs/dbraw/zinc/62/82/83/463628283.db2.gz KHMUJZPBLJTZRA-KRWDZBQOSA-N 1 2 328.460 2.186 20 30 EEEDLO N#CCOc1ccc(/C=C\C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000255384769 463723635 /nfs/dbraw/zinc/72/36/35/463723635.db2.gz LJNYGNFOZQSCEX-CTEOGUNLSA-N 1 2 336.395 2.490 20 30 EEEDLO CC(C)N1CCC[C@H]([NH+]2CCN(c3cccc(F)c3C#N)CC2)C1=O ZINC000177684617 463765195 /nfs/dbraw/zinc/76/51/95/463765195.db2.gz FNFNTBXMVHFMFB-SFHVURJKSA-N 1 2 344.434 2.219 20 30 EEEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000590958913 468384222 /nfs/dbraw/zinc/38/42/22/468384222.db2.gz SXQQNNFHMHLYHY-VBQJREDUSA-N 1 2 340.427 2.422 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277800232 463932046 /nfs/dbraw/zinc/93/20/46/463932046.db2.gz OKNMUHMFSLEKGJ-MNOVXSKESA-N 1 2 330.354 2.299 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277800232 463932049 /nfs/dbraw/zinc/93/20/49/463932049.db2.gz OKNMUHMFSLEKGJ-MNOVXSKESA-N 1 2 330.354 2.299 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC)CC1 ZINC000283587880 463934280 /nfs/dbraw/zinc/93/42/80/463934280.db2.gz XCIKRJFNIITPPN-UHFFFAOYSA-N 1 2 329.835 2.374 20 30 EEEDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000277896028 463935067 /nfs/dbraw/zinc/93/50/67/463935067.db2.gz WISNXORLZDYPSU-OAHLLOKOSA-N 1 2 331.441 2.210 20 30 EEEDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000277896028 463935069 /nfs/dbraw/zinc/93/50/69/463935069.db2.gz WISNXORLZDYPSU-OAHLLOKOSA-N 1 2 331.441 2.210 20 30 EEEDLO C[C@H](C(=O)NCCCCC#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000171870396 463939756 /nfs/dbraw/zinc/93/97/56/463939756.db2.gz OLKOSEATSOZYPE-OAHLLOKOSA-N 1 2 332.423 2.146 20 30 EEEDLO CCOc1ccccc1[C@@H](CC)NC(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000283912768 464038902 /nfs/dbraw/zinc/03/89/02/464038902.db2.gz DPSCSCXKYMAQMV-GDBMZVCRSA-N 1 2 349.431 2.120 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000289708055 464091199 /nfs/dbraw/zinc/09/11/99/464091199.db2.gz FZXZTOLBUQBNNM-NRFANRHFSA-N 1 2 348.446 2.228 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000289708055 464091204 /nfs/dbraw/zinc/09/12/04/464091204.db2.gz FZXZTOLBUQBNNM-NRFANRHFSA-N 1 2 348.446 2.228 20 30 EEEDLO N#Cc1ccncc1NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000269978549 464146137 /nfs/dbraw/zinc/14/61/37/464146137.db2.gz QEHOHPFKNLBNGO-UHFFFAOYSA-N 1 2 335.411 2.468 20 30 EEEDLO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000263770036 464183451 /nfs/dbraw/zinc/18/34/51/464183451.db2.gz WJRSFHILBBJLNW-QGZVFWFLSA-N 1 2 348.450 2.385 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)OCC ZINC000270159450 464203034 /nfs/dbraw/zinc/20/30/34/464203034.db2.gz YKNHONIIHNBIQF-RTBURBONSA-N 1 2 346.471 2.375 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)OCC ZINC000270159450 464203041 /nfs/dbraw/zinc/20/30/41/464203041.db2.gz YKNHONIIHNBIQF-RTBURBONSA-N 1 2 346.471 2.375 20 30 EEEDLO C=CC[C@H](C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1)c1ccccc1 ZINC000188208217 464224648 /nfs/dbraw/zinc/22/46/48/464224648.db2.gz ZTJBIZVQBMYJQB-SFHVURJKSA-N 1 2 343.471 2.017 20 30 EEEDLO C=CC[C@H](C(=O)N1CCC[N@H+](CC(=O)NCC)CC1)c1ccccc1 ZINC000188208217 464224653 /nfs/dbraw/zinc/22/46/53/464224653.db2.gz ZTJBIZVQBMYJQB-SFHVURJKSA-N 1 2 343.471 2.017 20 30 EEEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3ccc(CC#N)cc3)CC2)S1 ZINC000270339140 464251751 /nfs/dbraw/zinc/25/17/51/464251751.db2.gz NYGXPYRXALEVRA-ZDUSSCGKSA-N 1 2 328.441 2.002 20 30 EEEDLO C#CC[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000270458046 464255892 /nfs/dbraw/zinc/25/58/92/464255892.db2.gz TWVYFGRBSXTYKA-BQFCYCMXSA-N 1 2 329.444 2.159 20 30 EEEDLO NC(=[NH+]OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCO1 ZINC000284619174 464265603 /nfs/dbraw/zinc/26/56/03/464265603.db2.gz ZLORZYMEZVWUTJ-ZDUSSCGKSA-N 1 2 332.316 2.218 20 30 EEEDLO Cc1cccn2cc(CNS(=O)(=O)c3cccc(C)c3C#N)[nH+]c12 ZINC000180245481 464273318 /nfs/dbraw/zinc/27/33/18/464273318.db2.gz QATSFALAWGATLM-UHFFFAOYSA-N 1 2 340.408 2.301 20 30 EEEDLO C#CCCOc1ccc(C[NH+]2CCC(CS(C)(=O)=O)CC2)cc1 ZINC000292702898 464313221 /nfs/dbraw/zinc/31/32/21/464313221.db2.gz CODDBYFZJBWYBY-UHFFFAOYSA-N 1 2 335.469 2.345 20 30 EEEDLO C=C1CC[NH+](CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000264476281 464342121 /nfs/dbraw/zinc/34/21/21/464342121.db2.gz OYHISFMMJVFWDX-UHFFFAOYSA-N 1 2 329.444 2.319 20 30 EEEDLO CCN1CCN([C@@H](C)C(=O)Nc2nccs2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329895805 465465676 /nfs/dbraw/zinc/46/56/76/465465676.db2.gz CCYPTSJNEJYDFU-RYUDHWBXSA-N 1 2 334.449 2.222 20 30 EEEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000591071415 468402886 /nfs/dbraw/zinc/40/28/86/468402886.db2.gz USTPVRACGUYACP-OKZBNKHCSA-N 1 2 332.407 2.452 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)C1=O ZINC000281372904 464431167 /nfs/dbraw/zinc/43/11/67/464431167.db2.gz OPVYMVWJKNQBPR-OAHLLOKOSA-N 1 2 336.819 2.467 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)C1=O ZINC000281372904 464431168 /nfs/dbraw/zinc/43/11/68/464431168.db2.gz OPVYMVWJKNQBPR-OAHLLOKOSA-N 1 2 336.819 2.467 20 30 EEEDLO CC[C@@](C)(C#N)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000285105527 464455392 /nfs/dbraw/zinc/45/53/92/464455392.db2.gz UKAVMJOLDRXWTA-SFHVURJKSA-N 1 2 329.448 2.497 20 30 EEEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)nn1CCC#N ZINC000272071140 464467367 /nfs/dbraw/zinc/46/73/67/464467367.db2.gz KHUMNJKHUAZNFL-UHFFFAOYSA-N 1 2 342.403 2.048 20 30 EEEDLO N#C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1cccc(Br)c1 ZINC000189365340 464486602 /nfs/dbraw/zinc/48/66/02/464486602.db2.gz CZIPKLFQWHQVAU-CYBMUJFWSA-N 1 2 333.189 2.486 20 30 EEEDLO N#C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1cccc(Br)c1 ZINC000189365340 464486608 /nfs/dbraw/zinc/48/66/08/464486608.db2.gz CZIPKLFQWHQVAU-CYBMUJFWSA-N 1 2 333.189 2.486 20 30 EEEDLO Cc1ccc(-c2csc(CO[NH+]=C(N)CN3CCOCC3)n2)cc1 ZINC000285238690 464495549 /nfs/dbraw/zinc/49/55/49/464495549.db2.gz RDJZIGXIYPUJGU-UHFFFAOYSA-N 1 2 346.456 2.240 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246168216 464553963 /nfs/dbraw/zinc/55/39/63/464553963.db2.gz VDCTVVQQEUFOQD-GXTWGEPZSA-N 1 2 343.349 2.177 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246168216 464553965 /nfs/dbraw/zinc/55/39/65/464553965.db2.gz VDCTVVQQEUFOQD-GXTWGEPZSA-N 1 2 343.349 2.177 20 30 EEEDLO NC(COc1ccccc1F)=[NH+]OCCCNC(=O)C1CCCC1 ZINC000190137023 464601775 /nfs/dbraw/zinc/60/17/75/464601775.db2.gz KPVHMLHKAWGIDE-UHFFFAOYSA-N 1 2 337.395 2.190 20 30 EEEDLO C[C@@H](CCC#N)n1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000591127288 468412321 /nfs/dbraw/zinc/41/23/21/468412321.db2.gz DUDKTFSPCZSJCS-HOCLYGCPSA-N 1 2 326.404 2.111 20 30 EEEDLO C[C@@H](CCC#N)n1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000591127288 468412329 /nfs/dbraw/zinc/41/23/29/468412329.db2.gz DUDKTFSPCZSJCS-HOCLYGCPSA-N 1 2 326.404 2.111 20 30 EEEDLO C[C@H]1CN=C(N2CC[NH+](CCOc3ccccc3C#N)CC2)S1 ZINC000175796108 464627267 /nfs/dbraw/zinc/62/72/67/464627267.db2.gz AFVBHJXBWKOVGD-AWEZNQCLSA-N 1 2 330.457 2.046 20 30 EEEDLO C=CCS(=O)(=O)CCNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000272874646 464691675 /nfs/dbraw/zinc/69/16/75/464691675.db2.gz UBRJLTSVALFLIV-UHFFFAOYSA-N 1 2 332.429 2.168 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295075605 464697419 /nfs/dbraw/zinc/69/74/19/464697419.db2.gz ATCFYISTSPTGCS-DZGCQCFKSA-N 1 2 344.415 2.048 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295075605 464697423 /nfs/dbraw/zinc/69/74/23/464697423.db2.gz ATCFYISTSPTGCS-DZGCQCFKSA-N 1 2 344.415 2.048 20 30 EEEDLO CC(C)N1CCC[C@@H]([NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1=O ZINC000176151718 464708526 /nfs/dbraw/zinc/70/85/26/464708526.db2.gz CFLHFLXBRHDOMS-MOPGFXCFSA-N 1 2 340.471 2.268 20 30 EEEDLO CCOc1ccc(C[NH+]2CCN(C(=O)NC[C@@H](C)C#N)CC2)cc1 ZINC000182832784 464737178 /nfs/dbraw/zinc/73/71/78/464737178.db2.gz JRUJBPWBHPVGGB-HNNXBMFYSA-N 1 2 330.432 2.072 20 30 EEEDLO C=C(C)CC[NH+]1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000274726771 464752955 /nfs/dbraw/zinc/75/29/55/464752955.db2.gz AWVMPORIFPZATG-UHFFFAOYSA-N 1 2 336.457 2.162 20 30 EEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1nc2c(cc1C#N)CCCC2 ZINC000286188342 464832903 /nfs/dbraw/zinc/83/29/03/464832903.db2.gz AVYKDQKARRMFMC-WMLDXEAASA-N 1 2 326.444 2.131 20 30 EEEDLO Cn1c(Cl)cnc1C[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000183256708 464834552 /nfs/dbraw/zinc/83/45/52/464834552.db2.gz WADPSKPRGHOWRP-UHFFFAOYSA-N 1 2 331.807 2.406 20 30 EEEDLO Cn1c(Cl)cnc1C[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000183256708 464834562 /nfs/dbraw/zinc/83/45/62/464834562.db2.gz WADPSKPRGHOWRP-UHFFFAOYSA-N 1 2 331.807 2.406 20 30 EEEDLO COc1ccc([C@H](C)C[N@H+](CCC#N)CCN2CCOCC2)cc1 ZINC000183372922 464856170 /nfs/dbraw/zinc/85/61/70/464856170.db2.gz RCLVHHIQDCKOAP-QGZVFWFLSA-N 1 2 331.460 2.347 20 30 EEEDLO COc1ccc([C@H](C)C[N@@H+](CCC#N)CCN2CCOCC2)cc1 ZINC000183372922 464856176 /nfs/dbraw/zinc/85/61/76/464856176.db2.gz RCLVHHIQDCKOAP-QGZVFWFLSA-N 1 2 331.460 2.347 20 30 EEEDLO COc1ccc([C@H](C)CN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000183372922 464856179 /nfs/dbraw/zinc/85/61/79/464856179.db2.gz RCLVHHIQDCKOAP-QGZVFWFLSA-N 1 2 331.460 2.347 20 30 EEEDLO N#Cc1cc(NCc2cccc(OCC[NH+]3CCOCC3)c2)ccn1 ZINC000253415420 465004621 /nfs/dbraw/zinc/00/46/21/465004621.db2.gz AWEZAROVCYVRCL-UHFFFAOYSA-N 1 2 338.411 2.276 20 30 EEEDLO COC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177427713 465012930 /nfs/dbraw/zinc/01/29/30/465012930.db2.gz WQLREEFRSGBYEK-MRXNPFEDSA-N 1 2 335.429 2.060 20 30 EEEDLO COC(=O)[C@]1(C)CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177427713 465012933 /nfs/dbraw/zinc/01/29/33/465012933.db2.gz WQLREEFRSGBYEK-MRXNPFEDSA-N 1 2 335.429 2.060 20 30 EEEDLO O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329399252 465322212 /nfs/dbraw/zinc/32/22/12/465322212.db2.gz VMAGELOTABQQKR-CABCVRRESA-N 1 2 345.447 2.082 20 30 EEEDLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)[C@@H]1C[C@]12CCOC2 ZINC000329619465 465388877 /nfs/dbraw/zinc/38/88/77/465388877.db2.gz GMJASASLZNAHCL-HBFSDRIKSA-N 1 2 344.455 2.313 20 30 EEEDLO CCN(C(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H]1CCOC(C)(C)C1 ZINC000329630470 465392782 /nfs/dbraw/zinc/39/27/82/465392782.db2.gz VLZJPHABGVKYAE-OAHLLOKOSA-N 1 2 341.496 2.291 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1O ZINC000337567702 465439327 /nfs/dbraw/zinc/43/93/27/465439327.db2.gz BWYJJBBBNUQVEN-MRXNPFEDSA-N 1 2 325.343 2.190 20 30 EEEDLO O=C(N[C@H]1CCc2c[nH]nc2C1)c1ccccc1C[NH+]1CCOCC1 ZINC000329812092 465441200 /nfs/dbraw/zinc/44/12/00/465441200.db2.gz CEJGEYGKEJIPHP-INIZCTEOSA-N 1 2 340.427 2.104 20 30 EEEDLO CCC(CC)[C@H](C(=O)N[C@@H]1CCc2c[nH]nc2C1)[NH+]1CCOCC1 ZINC000329834600 465448179 /nfs/dbraw/zinc/44/81/79/465448179.db2.gz GZGYBIHNTMCDDZ-NVXWUHKLSA-N 1 2 334.464 2.361 20 30 EEEDLO CC(C)c1[nH+]c2c(n1C)CCN(C([O-])=[NH+][C@H]1CCc3c[nH]nc3C1)C2 ZINC000329860106 465455038 /nfs/dbraw/zinc/45/50/38/465455038.db2.gz PFNFXRZAVZKJON-ZDUSSCGKSA-N 1 2 342.447 2.096 20 30 EEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(NC(=O)C4CC4)c3)C[C@H]21 ZINC000329928097 465476895 /nfs/dbraw/zinc/47/68/95/465476895.db2.gz MDVPLLYNPNIVMQ-CVEARBPZSA-N 1 2 344.415 2.245 20 30 EEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(NC(=O)C4CC4)c3)C[C@H]21 ZINC000329928097 465476899 /nfs/dbraw/zinc/47/68/99/465476899.db2.gz MDVPLLYNPNIVMQ-CVEARBPZSA-N 1 2 344.415 2.245 20 30 EEEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)C1CCOCC1 ZINC000329930381 465477907 /nfs/dbraw/zinc/47/79/07/465477907.db2.gz OKAIOCJEXGBTSR-GOSISDBHSA-N 1 2 346.475 2.318 20 30 EEEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NCc1c[nH+]c2cc(C)ccn12 ZINC000359665774 465478773 /nfs/dbraw/zinc/47/87/73/465478773.db2.gz XSOKRMPSQJNPFP-UHFFFAOYSA-N 1 2 343.394 3.016 20 30 EEEDLO C=C[C@H](C)NC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000339813648 465526354 /nfs/dbraw/zinc/52/63/54/465526354.db2.gz OZJGMGQBQWLOQQ-ZDUSSCGKSA-N 1 2 336.395 2.231 20 30 EEEDLO C[C@H]1CCCC[C@@H]1OCCNC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352464140 465531208 /nfs/dbraw/zinc/53/12/08/465531208.db2.gz PKELASHEKKYUDS-GJZGRUSLSA-N 1 2 325.428 2.026 20 30 EEEDLO OC[C@@H]1CSCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000343692156 465543819 /nfs/dbraw/zinc/54/38/19/465543819.db2.gz AYRWLXZMMKRNBK-CYBMUJFWSA-N 1 2 331.359 2.346 20 30 EEEDLO OC[C@@H]1CSCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000343692156 465543826 /nfs/dbraw/zinc/54/38/26/465543826.db2.gz AYRWLXZMMKRNBK-CYBMUJFWSA-N 1 2 331.359 2.346 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000352670662 465546221 /nfs/dbraw/zinc/54/62/21/465546221.db2.gz HTBWXJVZJRAHNE-QWFCFKBJSA-N 1 2 347.455 2.035 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000352670662 465546231 /nfs/dbraw/zinc/54/62/31/465546231.db2.gz HTBWXJVZJRAHNE-QWFCFKBJSA-N 1 2 347.455 2.035 20 30 EEEDLO Cn1c[nH+]cc1CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348331170 465553963 /nfs/dbraw/zinc/55/39/63/465553963.db2.gz QFJCINNPEJMOPT-QGZVFWFLSA-N 1 2 329.835 2.456 20 30 EEEDLO Cc1ccc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1OC(C)C ZINC000330194858 465564429 /nfs/dbraw/zinc/56/44/29/465564429.db2.gz OXZNMAWSXLULTK-RDJZCZTQSA-N 1 2 333.432 2.343 20 30 EEEDLO Cc1ccc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1OC(C)C ZINC000330194858 465564432 /nfs/dbraw/zinc/56/44/32/465564432.db2.gz OXZNMAWSXLULTK-RDJZCZTQSA-N 1 2 333.432 2.343 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2cccc3c2OCCO3)CCO1 ZINC000330317560 465610758 /nfs/dbraw/zinc/61/07/58/465610758.db2.gz BSSGFWQUIJDWKM-LRDDRELGSA-N 1 2 343.383 2.416 20 30 EEEDLO O=C(Nc1cc2c(cc1F)NC(=O)CC2)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330328809 465614246 /nfs/dbraw/zinc/61/42/46/465614246.db2.gz LYYAQTAALTYIIE-LLVKDONJSA-N 1 2 343.362 2.248 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2cn3ccccc3n2)CCO1 ZINC000330335467 465618716 /nfs/dbraw/zinc/61/87/16/465618716.db2.gz ROPNWWSEWWHUTG-WFASDCNBSA-N 1 2 325.372 2.293 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000340195387 465862936 /nfs/dbraw/zinc/86/29/36/465862936.db2.gz FENGSGGHANUNHU-UKRRQHHQSA-N 1 2 341.333 2.274 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000340195387 465862940 /nfs/dbraw/zinc/86/29/40/465862940.db2.gz FENGSGGHANUNHU-UKRRQHHQSA-N 1 2 341.333 2.274 20 30 EEEDLO C=CCOc1ccccc1C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000345439403 465866338 /nfs/dbraw/zinc/86/63/38/465866338.db2.gz YOGJEBNSBHFRLA-HZPDHXFCSA-N 1 2 332.444 2.433 20 30 EEEDLO C#CCC[NH+]1CCN([C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000299723121 465869768 /nfs/dbraw/zinc/86/97/68/465869768.db2.gz SXMLRKSWLNXIQX-OAHLLOKOSA-N 1 2 329.444 2.046 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)CCCCC1 ZINC000340202428 465872961 /nfs/dbraw/zinc/87/29/61/465872961.db2.gz VRHSQGWHANKIID-GXTWGEPZSA-N 1 2 347.381 2.107 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)CCCCC1 ZINC000340202428 465872966 /nfs/dbraw/zinc/87/29/66/465872966.db2.gz VRHSQGWHANKIID-GXTWGEPZSA-N 1 2 347.381 2.107 20 30 EEEDLO N#CCCCC(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000362682553 465936665 /nfs/dbraw/zinc/93/66/65/465936665.db2.gz DNCZBPZGGKSRCL-UHFFFAOYSA-N 1 2 341.415 2.070 20 30 EEEDLO COc1cccc(F)c1NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000331153261 465958970 /nfs/dbraw/zinc/95/89/70/465958970.db2.gz XUFFSPLPDPUPSD-UHFFFAOYSA-N 1 2 338.383 2.311 20 30 EEEDLO N#Cc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1F ZINC000353550934 465972684 /nfs/dbraw/zinc/97/26/84/465972684.db2.gz SUGMKWGFIZOZEW-CQSZACIVSA-N 1 2 325.347 2.493 20 30 EEEDLO CCc1nc(C)c(NC(=O)NCC[N@@H+]2CCOCC2(C)C)s1 ZINC000331200692 465978131 /nfs/dbraw/zinc/97/81/31/465978131.db2.gz PVISMJCKUNODMZ-UHFFFAOYSA-N 1 2 326.466 2.451 20 30 EEEDLO CCc1nc(C)c(NC(=O)NCC[N@H+]2CCOCC2(C)C)s1 ZINC000331200692 465978140 /nfs/dbraw/zinc/97/81/40/465978140.db2.gz PVISMJCKUNODMZ-UHFFFAOYSA-N 1 2 326.466 2.451 20 30 EEEDLO COCC[NH+]1CCN(C(=O)Nc2ncc(C(C)(C)C)s2)CC1 ZINC000331226623 465989647 /nfs/dbraw/zinc/98/96/47/465989647.db2.gz BCIGPJSLMSPKTG-UHFFFAOYSA-N 1 2 326.466 2.250 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](Cn3nc(C)nc3C)C2)cc1 ZINC000353650190 466042350 /nfs/dbraw/zinc/04/23/50/466042350.db2.gz ZUHIBXNYRBMZND-LJQANCHMSA-N 1 2 342.443 2.361 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](Cn3nc(C)nc3C)C2)cc1 ZINC000353650190 466042356 /nfs/dbraw/zinc/04/23/56/466042356.db2.gz ZUHIBXNYRBMZND-LJQANCHMSA-N 1 2 342.443 2.361 20 30 EEEDLO N#Cc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)ccc1F ZINC000372070441 466146761 /nfs/dbraw/zinc/14/67/61/466146761.db2.gz NSUARVPNTBWZLC-OAHLLOKOSA-N 1 2 332.379 2.026 20 30 EEEDLO CC#CCCNC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000361647277 466175382 /nfs/dbraw/zinc/17/53/82/466175382.db2.gz KMSNAIHGNIHIPG-SFHVURJKSA-N 1 2 343.471 2.332 20 30 EEEDLO CCOC(=O)c1c(NC(=O)CCCn2cc[nH+]c2)c(C#N)cn1CC ZINC000591526147 468480375 /nfs/dbraw/zinc/48/03/75/468480375.db2.gz UMUOAYLIGPZVDM-UHFFFAOYSA-N 1 2 343.387 2.172 20 30 EEEDLO N#CCc1ccc(OC[C@@H](O)Cn2cc[nH+]c2-c2ccncc2)cc1 ZINC000304322830 466282829 /nfs/dbraw/zinc/28/28/29/466282829.db2.gz MNJFRFXLBWNFML-KRWDZBQOSA-N 1 2 334.379 2.451 20 30 EEEDLO CC(C)(C#N)CNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000357897360 466301591 /nfs/dbraw/zinc/30/15/91/466301591.db2.gz XBIYUXGQMGUFAQ-UHFFFAOYSA-N 1 2 338.367 2.478 20 30 EEEDLO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)oc1C ZINC000357931829 466329066 /nfs/dbraw/zinc/32/90/66/466329066.db2.gz GSGAUNMHZCKITQ-SGTLLEGYSA-N 1 2 349.431 2.249 20 30 EEEDLO COC(=O)c1cc(C[N@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)oc1C ZINC000357931829 466329055 /nfs/dbraw/zinc/32/90/55/466329055.db2.gz GSGAUNMHZCKITQ-SGTLLEGYSA-N 1 2 349.431 2.249 20 30 EEEDLO N#Cc1cccc(-c2nnc(C[N@@H+](CCCO)Cc3ccccn3)o2)c1 ZINC000347199081 466470158 /nfs/dbraw/zinc/47/01/58/466470158.db2.gz JNYBJOUPFFKRFW-UHFFFAOYSA-N 1 2 349.394 2.388 20 30 EEEDLO N#Cc1cccc(-c2nnc(C[N@H+](CCCO)Cc3ccccn3)o2)c1 ZINC000347199081 466470165 /nfs/dbraw/zinc/47/01/65/466470165.db2.gz JNYBJOUPFFKRFW-UHFFFAOYSA-N 1 2 349.394 2.388 20 30 EEEDLO CCC(C#N)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000311678025 466526607 /nfs/dbraw/zinc/52/66/07/466526607.db2.gz LHALOMVXCCPUKJ-QGZVFWFLSA-N 1 2 329.444 2.334 20 30 EEEDLO CCC(C#N)(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000311678025 466526614 /nfs/dbraw/zinc/52/66/14/466526614.db2.gz LHALOMVXCCPUKJ-QGZVFWFLSA-N 1 2 329.444 2.334 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347337264 466577358 /nfs/dbraw/zinc/57/73/58/466577358.db2.gz ASRWHSCTRITZGC-JKSUJKDBSA-N 1 2 347.484 2.249 20 30 EEEDLO 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CC(=O)NC[C@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000599704790 469344721 /nfs/dbraw/zinc/34/47/21/469344721.db2.gz TZCYSGZVCYQMCH-MRXNPFEDSA-N 1 2 339.399 2.099 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@]3(CC(=O)c4ccccc4O3)C2)C1=O ZINC000625803059 469394056 /nfs/dbraw/zinc/39/40/56/469394056.db2.gz MVILJJRCWASJEH-JXFKEZNVSA-N 1 2 340.423 2.273 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@]3(CC(=O)c4ccccc4O3)C2)C1=O ZINC000625803059 469394062 /nfs/dbraw/zinc/39/40/62/469394062.db2.gz MVILJJRCWASJEH-JXFKEZNVSA-N 1 2 340.423 2.273 20 30 EEEDLO COCC[N@H+](CCC#N)C[C@@H](O)COc1cc(C)ccc1Cl ZINC000612446332 469467582 /nfs/dbraw/zinc/46/75/82/469467582.db2.gz GZCWOLVJYYJCBF-CQSZACIVSA-N 1 2 326.824 2.250 20 30 EEEDLO COCC[N@@H+](CCC#N)C[C@@H](O)COc1cc(C)ccc1Cl ZINC000612446332 469467586 /nfs/dbraw/zinc/46/75/86/469467586.db2.gz GZCWOLVJYYJCBF-CQSZACIVSA-N 1 2 326.824 2.250 20 30 EEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000619717767 469670145 /nfs/dbraw/zinc/67/01/45/469670145.db2.gz IPAPOLRCSSSTHN-GFCCVEGCSA-N 1 2 328.210 2.010 20 30 EEEDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609485710 469933130 /nfs/dbraw/zinc/93/31/30/469933130.db2.gz VQBFHWPKIAGLDQ-KZNAEPCWSA-N 1 2 334.508 2.332 20 30 EEEDLO N#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1ccc(Cl)cc1 ZINC000609589665 469944971 /nfs/dbraw/zinc/94/49/71/469944971.db2.gz DAONZVWGCWLOMD-AWEZNQCLSA-N 1 2 338.758 2.310 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCc2[nH+]c[nH]c2C1 ZINC000625436804 470143885 /nfs/dbraw/zinc/14/38/85/470143885.db2.gz RORORVZHQYOLFA-CYBMUJFWSA-N 1 2 330.457 2.433 20 30 EEEDLO C=CCCn1cc(C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)nn1 ZINC000657304867 471092461 /nfs/dbraw/zinc/09/24/61/471092461.db2.gz SODRDNIHAJZAIC-CYBMUJFWSA-N 1 2 328.416 2.476 20 30 EEEDLO C=CCCn1cc(C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)nn1 ZINC000657307211 471092730 /nfs/dbraw/zinc/09/27/30/471092730.db2.gz CWRPUTLAXALYSN-UHFFFAOYSA-N 1 2 341.337 2.480 20 30 EEEDLO C=C[C@H](CC(=O)N1CC[NH+](CCOCCOC)CC1)c1ccccc1 ZINC000652999138 471446364 /nfs/dbraw/zinc/44/63/64/471446364.db2.gz NDYBXAJSKQBUBG-GOSISDBHSA-N 1 2 346.471 2.154 20 30 EEEDLO C=C[C@](C)(O)C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000666643292 471476097 /nfs/dbraw/zinc/47/60/97/471476097.db2.gz IJANBWUBMCFFSQ-FQEVSTJZSA-N 1 2 337.423 2.198 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000653124511 471499660 /nfs/dbraw/zinc/49/96/60/471499660.db2.gz KCBHEBXGTQHNKY-ZACQAIPSSA-N 1 2 340.427 2.347 20 30 EEEDLO C=C[C@](C)(O)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000668203100 472046394 /nfs/dbraw/zinc/04/63/94/472046394.db2.gz XDROACDRDNNSBD-SFHVURJKSA-N 1 2 339.399 2.199 20 30 EEEDLO C=CC[N@@H+](C[C@@H](O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000108871115 526330337 /nfs/dbraw/zinc/33/03/37/526330337.db2.gz GAYLJQIRNMLTEY-IUODEOHRSA-N 1 2 329.849 2.049 20 30 EEEDLO C=CC[N@H+](C[C@@H](O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000108871115 526330339 /nfs/dbraw/zinc/33/03/39/526330339.db2.gz GAYLJQIRNMLTEY-IUODEOHRSA-N 1 2 329.849 2.049 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554490 526542258 /nfs/dbraw/zinc/54/22/58/526542258.db2.gz HTUMHASCSFTLTL-KRWDZBQOSA-N 1 2 340.471 2.493 20 30 EEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cc(C)ccc1OC(F)F ZINC000292090696 526689866 /nfs/dbraw/zinc/68/98/66/526689866.db2.gz NPCWOMIVBMHHMS-UHFFFAOYSA-N 1 2 329.347 2.300 20 30 EEEDLO C#C[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000365690785 527341583 /nfs/dbraw/zinc/34/15/83/527341583.db2.gz WBIOIMUJVSMXRE-MAZHCROVSA-N 1 2 335.835 2.033 20 30 EEEDLO C#C[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000365690785 527341587 /nfs/dbraw/zinc/34/15/87/527341587.db2.gz WBIOIMUJVSMXRE-MAZHCROVSA-N 1 2 335.835 2.033 20 30 EEEDLO CC(C)(C#N)c1ccc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000456207779 535002143 /nfs/dbraw/zinc/00/21/43/535002143.db2.gz UDOCSPRNDXEDMA-CALCHBBNSA-N 1 2 327.428 2.081 20 30 EEEDLO CC(C)(C#N)c1ccc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000456207779 535002154 /nfs/dbraw/zinc/00/21/54/535002154.db2.gz UDOCSPRNDXEDMA-CALCHBBNSA-N 1 2 327.428 2.081 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1cc(Br)cs1 ZINC000493636908 535950204 /nfs/dbraw/zinc/95/02/04/535950204.db2.gz ZSKWKCKOLOTRIZ-MUBLQREKSA-N 1 2 342.262 2.484 20 30 EEEDLO CC[C@H](C)CS(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000264951760 536131065 /nfs/dbraw/zinc/13/10/65/536131065.db2.gz LDORLIMSZHQPQS-HNNXBMFYSA-N 1 2 335.473 2.052 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)nc1 ZINC000728805920 576531314 /nfs/dbraw/zinc/53/13/14/576531314.db2.gz KQDKVNUMBXQAAP-FQEVSTJZSA-N 1 2 349.434 2.175 20 30 EEEDLO S=C(NCC[NH+]1CCOCC1)NN=C1CCC[C@H]1c1ccccc1 ZINC000732528339 577183474 /nfs/dbraw/zinc/18/34/74/577183474.db2.gz YEQILVZAFBXTNR-INIZCTEOSA-N 1 2 346.500 2.106 20 30 EEEDLO C[C@@H]1CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[nH]2)C[N@@H+]1C1CC1 ZINC000769810962 577585076 /nfs/dbraw/zinc/58/50/76/577585076.db2.gz WJEHMFVRNAPMNN-SNVBAGLBSA-N 1 2 343.435 2.311 20 30 EEEDLO C[C@@H]1CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[nH]2)C[N@H+]1C1CC1 ZINC000769810962 577585077 /nfs/dbraw/zinc/58/50/77/577585077.db2.gz WJEHMFVRNAPMNN-SNVBAGLBSA-N 1 2 343.435 2.311 20 30 EEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000769952777 577587840 /nfs/dbraw/zinc/58/78/40/577587840.db2.gz FTHVNIRIYVLXOK-JYJNAYRXSA-N 1 2 329.444 2.192 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000769952777 577587841 /nfs/dbraw/zinc/58/78/41/577587841.db2.gz FTHVNIRIYVLXOK-JYJNAYRXSA-N 1 2 329.444 2.192 20 30 EEEDLO Cc1ccc([C@@]2(C)CC(=O)N(C[NH+]3CCC(C#N)CC3)C2=O)cc1 ZINC000758305342 577621280 /nfs/dbraw/zinc/62/12/80/577621280.db2.gz FQRXGNPYOSQYNT-LJQANCHMSA-N 1 2 325.412 2.205 20 30 EEEDLO N#CCCN1CC[NH+](C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000760945445 577672648 /nfs/dbraw/zinc/67/26/48/577672648.db2.gz XKYIETJTWSAKLK-OAHLLOKOSA-N 1 2 327.350 2.270 20 30 EEEDLO O=C1CCC(N=Nc2ccc(-n3cc[nH+]c3)nn2)c2ccccc2N1 ZINC000761833700 577689707 /nfs/dbraw/zinc/68/97/07/577689707.db2.gz DYEFSFVZSKSIHQ-UHFFFAOYSA-N 1 2 333.355 2.211 20 30 EEEDLO COCCOc1ccccc1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761840240 577689933 /nfs/dbraw/zinc/68/99/33/577689933.db2.gz ZUXPVFZJYCKGFO-UHFFFAOYSA-N 1 2 338.371 2.134 20 30 EEEDLO CC(CN1Cc2ccccc2C1=O)N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761847526 577690046 /nfs/dbraw/zinc/69/00/46/577690046.db2.gz SAMRICHCGPQHDJ-UHFFFAOYSA-N 1 2 347.382 2.106 20 30 EEEDLO C#C[C@H](CC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000753264919 577784192 /nfs/dbraw/zinc/78/41/92/577784192.db2.gz NJHUMJMWBNNHCZ-CZUORRHYSA-N 1 2 326.400 2.229 20 30 EEEDLO COC(=O)c1cccc(CO[NH+]=C(N)[C@@H](C)OCC(C)C)c1C#N ZINC000755820695 577832354 /nfs/dbraw/zinc/83/23/54/577832354.db2.gz XZHBMZVONRWXNM-GFCCVEGCSA-N 1 2 333.388 2.404 20 30 EEEDLO O=C(C#Cc1ccccc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000747349047 577942868 /nfs/dbraw/zinc/94/28/68/577942868.db2.gz BNIXHVYLWAEECB-UHFFFAOYSA-N 1 2 334.419 2.261 20 30 EEEDLO Cn1c[nH+]cc1COC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000747782230 577949947 /nfs/dbraw/zinc/94/99/47/577949947.db2.gz GGOBJHXNNGPAPE-UHFFFAOYSA-N 1 2 340.383 2.190 20 30 EEEDLO C[C@H](Cc1ccc(F)cc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000749385808 577975545 /nfs/dbraw/zinc/97/55/45/577975545.db2.gz ZGAHHVLZLCHYON-MRXNPFEDSA-N 1 2 347.434 2.079 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc3c(c2)CCC3)CC1 ZINC000735939805 578173243 /nfs/dbraw/zinc/17/32/43/578173243.db2.gz JKCZBBGNKHILEC-UHFFFAOYSA-N 1 2 325.408 2.246 20 30 EEEDLO C[C@H](NC(=O)c1cncs1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969359401 674884296 /nfs/dbraw/zinc/88/42/96/674884296.db2.gz ROHAIDXBJVYWIV-NSHDSACASA-N 1 2 344.415 2.404 20 30 EEEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2nc3ccccc3o2)C1 ZINC000969461999 675057728 /nfs/dbraw/zinc/05/77/28/675057728.db2.gz CDLZGTONJNIUTB-GFCCVEGCSA-N 1 2 349.394 2.278 20 30 EEEDLO CC(C)c1ocnc1C[NH+]1CC([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000969463771 675059320 /nfs/dbraw/zinc/05/93/20/675059320.db2.gz VAECDSYWTHEIRZ-GFCCVEGCSA-N 1 2 341.415 2.248 20 30 EEEDLO Cc1nc(C[NH+]2CC([C@@H](C)NC(=O)c3c[nH]c(C#N)c3)C2)sc1C ZINC000969526861 675089384 /nfs/dbraw/zinc/08/93/84/675089384.db2.gz QHVHNFOJRAFMLY-LLVKDONJSA-N 1 2 343.456 2.210 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC=C(Cl)Cl)C1 ZINC000970446451 675901330 /nfs/dbraw/zinc/90/13/30/675901330.db2.gz FGISAXBJXRVMCX-RTXFEEFZSA-N 1 2 333.259 2.333 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC000970732520 676110071 /nfs/dbraw/zinc/11/00/71/676110071.db2.gz WZYGZJRVCHOOTB-CYBMUJFWSA-N 1 2 345.834 2.070 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000969905750 675297454 /nfs/dbraw/zinc/29/74/54/675297454.db2.gz DPRRTWPFZMPKHB-CYBMUJFWSA-N 1 2 345.353 2.223 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CC2(C)C)cc1C#N ZINC001038178016 675580371 /nfs/dbraw/zinc/58/03/71/675580371.db2.gz WBRLJIFHKOJBHW-HOTGVXAUSA-N 1 2 327.428 2.303 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CC2(C)C)cc1C#N ZINC001038178016 675580372 /nfs/dbraw/zinc/58/03/72/675580372.db2.gz WBRLJIFHKOJBHW-HOTGVXAUSA-N 1 2 327.428 2.303 20 30 EEEDLO C=C1CCC(C(=O)N[C@H](C)C2C[NH+](Cc3cncc(OC)n3)C2)CC1 ZINC000970378334 675831150 /nfs/dbraw/zinc/83/11/50/675831150.db2.gz VPVCQDBSMXAQPX-CQSZACIVSA-N 1 2 344.459 2.168 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](CC)OC3CCCC3)CC2)C1 ZINC000949486652 676425323 /nfs/dbraw/zinc/42/53/23/676425323.db2.gz DFTMLGXOSSODPX-SFHVURJKSA-N 1 2 348.487 2.051 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](CC)OC3CCCC3)CC2)C1 ZINC000949486652 676425326 /nfs/dbraw/zinc/42/53/26/676425326.db2.gz DFTMLGXOSSODPX-SFHVURJKSA-N 1 2 348.487 2.051 20 30 EEEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CC(=O)NC[C@H]2c2ccccc2)cc1 ZINC000933327094 676592913 /nfs/dbraw/zinc/59/29/13/676592913.db2.gz PPSCLZKNQFIKRG-SFHVURJKSA-N 1 2 348.406 2.060 20 30 EEEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CC(=O)NC[C@H]2c2ccccc2)cc1 ZINC000933327094 676592914 /nfs/dbraw/zinc/59/29/14/676592914.db2.gz PPSCLZKNQFIKRG-SFHVURJKSA-N 1 2 348.406 2.060 20 30 EEEDLO C[N@H+](Cc1cc(C(C)(C)C)on1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971514796 676607236 /nfs/dbraw/zinc/60/72/36/676607236.db2.gz WORFMPUUCXBRLS-MRXNPFEDSA-N 1 2 329.444 2.418 20 30 EEEDLO C[N@@H+](Cc1cc(C(C)(C)C)on1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971514796 676607237 /nfs/dbraw/zinc/60/72/37/676607237.db2.gz WORFMPUUCXBRLS-MRXNPFEDSA-N 1 2 329.444 2.418 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc(C(C)C)s3)C2)C1 ZINC000972706852 679701402 /nfs/dbraw/zinc/70/14/02/679701402.db2.gz FBITYBYFKJOKJN-QGZVFWFLSA-N 1 2 335.473 2.369 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc(C(C)C)s3)C2)C1 ZINC000972706852 679701403 /nfs/dbraw/zinc/70/14/03/679701403.db2.gz FBITYBYFKJOKJN-QGZVFWFLSA-N 1 2 335.473 2.369 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(CC)n2)C1 ZINC000971686796 676740403 /nfs/dbraw/zinc/74/04/03/676740403.db2.gz FUQHCPVPAHMMAI-KRWDZBQOSA-N 1 2 341.459 2.237 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@H+](C)Cc2ccn(CC)n2)C1 ZINC000971686796 676740404 /nfs/dbraw/zinc/74/04/04/676740404.db2.gz FUQHCPVPAHMMAI-KRWDZBQOSA-N 1 2 341.459 2.237 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3snnc3C)C2)cc1 ZINC000972058445 678187446 /nfs/dbraw/zinc/18/74/46/678187446.db2.gz JPMCFTRPVFDJFE-MRXNPFEDSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3snnc3C)C2)cc1 ZINC000972058445 678187448 /nfs/dbraw/zinc/18/74/48/678187448.db2.gz JPMCFTRPVFDJFE-MRXNPFEDSA-N 1 2 340.452 2.174 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC000972375969 678623233 /nfs/dbraw/zinc/62/32/33/678623233.db2.gz UMPCSTRIJRJNGX-OAGGEKHMSA-N 1 2 335.473 2.075 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(C)n2)C1 ZINC000972375969 678623236 /nfs/dbraw/zinc/62/32/36/678623236.db2.gz UMPCSTRIJRJNGX-OAGGEKHMSA-N 1 2 335.473 2.075 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC000972375718 678623629 /nfs/dbraw/zinc/62/36/29/678623629.db2.gz MNWJRILPYXIVGR-KSZLIROESA-N 1 2 346.475 2.088 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC000972375718 678623631 /nfs/dbraw/zinc/62/36/31/678623631.db2.gz MNWJRILPYXIVGR-KSZLIROESA-N 1 2 346.475 2.088 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](c3ccccc3)C3CC3)C2)C1 ZINC000972463697 678797922 /nfs/dbraw/zinc/79/79/22/678797922.db2.gz WLKYWZWKRZGYBF-TZIWHRDSSA-N 1 2 338.451 2.117 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](c3ccccc3)C3CC3)C2)C1 ZINC000972463697 678797925 /nfs/dbraw/zinc/79/79/25/678797925.db2.gz WLKYWZWKRZGYBF-TZIWHRDSSA-N 1 2 338.451 2.117 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3cccs3)C2)C1 ZINC000972548945 679250176 /nfs/dbraw/zinc/25/01/76/679250176.db2.gz KYJYLOCSUPGFJO-YJBOKZPZSA-N 1 2 332.469 2.178 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3cccs3)C2)C1 ZINC000972548945 679250178 /nfs/dbraw/zinc/25/01/78/679250178.db2.gz KYJYLOCSUPGFJO-YJBOKZPZSA-N 1 2 332.469 2.178 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCOc4ccccc43)C2)C1 ZINC000972597099 679396284 /nfs/dbraw/zinc/39/62/84/679396284.db2.gz SCQKOYJTNULNCN-FXAWDEMLSA-N 1 2 342.439 2.042 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCOc4ccccc43)C2)C1 ZINC000972597099 679396288 /nfs/dbraw/zinc/39/62/88/679396288.db2.gz SCQKOYJTNULNCN-FXAWDEMLSA-N 1 2 342.439 2.042 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3cc(C)oc3C)C2)C1 ZINC000972598872 679400650 /nfs/dbraw/zinc/40/06/50/679400650.db2.gz KKYBPWAFOJAJRS-KXBFYZLASA-N 1 2 332.444 2.489 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3cc(C)oc3C)C2)C1 ZINC000972598872 679400652 /nfs/dbraw/zinc/40/06/52/679400652.db2.gz KKYBPWAFOJAJRS-KXBFYZLASA-N 1 2 332.444 2.489 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1CCOC1 ZINC001006881119 679421399 /nfs/dbraw/zinc/42/13/99/679421399.db2.gz MAXZTYYYSFKJAH-WMZOPIPTSA-N 1 2 346.858 2.309 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1CCOC1 ZINC001006881119 679421400 /nfs/dbraw/zinc/42/14/00/679421400.db2.gz MAXZTYYYSFKJAH-WMZOPIPTSA-N 1 2 346.858 2.309 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)Cc3ccccc3)C2)C1 ZINC000972629544 679458427 /nfs/dbraw/zinc/45/84/27/679458427.db2.gz AVSRKHHHCMDYSJ-OAQYLSRUSA-N 1 2 340.467 2.192 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)Cc3ccccc3)C2)C1 ZINC000972629544 679458428 /nfs/dbraw/zinc/45/84/28/679458428.db2.gz AVSRKHHHCMDYSJ-OAQYLSRUSA-N 1 2 340.467 2.192 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ncsc3C(C)C)C2)C1 ZINC000972633930 679469251 /nfs/dbraw/zinc/46/92/51/679469251.db2.gz IXPQRWJCTZSWLM-SFHVURJKSA-N 1 2 347.484 2.207 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ncsc3C(C)C)C2)C1 ZINC000972633930 679469253 /nfs/dbraw/zinc/46/92/53/679469253.db2.gz IXPQRWJCTZSWLM-SFHVURJKSA-N 1 2 347.484 2.207 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(OCC)cc3)C2)C1 ZINC000972662976 679532128 /nfs/dbraw/zinc/53/21/28/679532128.db2.gz XAWUQFNGRPKJLT-HXUWFJFHSA-N 1 2 342.439 2.026 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(OCC)cc3)C2)C1 ZINC000972662976 679532129 /nfs/dbraw/zinc/53/21/29/679532129.db2.gz XAWUQFNGRPKJLT-HXUWFJFHSA-N 1 2 342.439 2.026 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)COc3ccc(C)c(C)c3)C2)C1 ZINC000972666852 679548669 /nfs/dbraw/zinc/54/86/69/679548669.db2.gz IHYZMJSOWOLBPB-HXUWFJFHSA-N 1 2 344.455 2.172 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)COc3ccc(C)c(C)c3)C2)C1 ZINC000972666852 679548670 /nfs/dbraw/zinc/54/86/70/679548670.db2.gz IHYZMJSOWOLBPB-HXUWFJFHSA-N 1 2 344.455 2.172 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)c3ccc(F)cc3)C2)C1 ZINC000972688812 679605926 /nfs/dbraw/zinc/60/59/26/679605926.db2.gz QGGIOTWXZJVMGX-JXFKEZNVSA-N 1 2 344.430 2.256 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)c3ccc(F)cc3)C2)C1 ZINC000972688812 679605927 /nfs/dbraw/zinc/60/59/27/679605927.db2.gz QGGIOTWXZJVMGX-JXFKEZNVSA-N 1 2 344.430 2.256 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)c3ccc(F)cc3)C2)C1 ZINC000972691974 679613045 /nfs/dbraw/zinc/61/30/45/679613045.db2.gz KRLYEFDDJANRDQ-UYAOXDASSA-N 1 2 344.430 2.256 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)c3ccc(F)cc3)C2)C1 ZINC000972691974 679613049 /nfs/dbraw/zinc/61/30/49/679613049.db2.gz KRLYEFDDJANRDQ-UYAOXDASSA-N 1 2 344.430 2.256 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccc(F)cn2)c[nH]1 ZINC001024399143 679889815 /nfs/dbraw/zinc/88/98/15/679889815.db2.gz DPHCMDIYJBCFNR-QGZVFWFLSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccc(F)cn2)c[nH]1 ZINC001024399143 679889816 /nfs/dbraw/zinc/88/98/16/679889816.db2.gz DPHCMDIYJBCFNR-QGZVFWFLSA-N 1 2 341.390 2.205 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccn(CC(F)F)n2)C(C)(C)C1 ZINC000974709591 685287432 /nfs/dbraw/zinc/28/74/32/685287432.db2.gz RXVNBYBVKQBCES-GFCCVEGCSA-N 1 2 346.809 2.341 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccn(CC(F)F)n2)C(C)(C)C1 ZINC000974709591 685287435 /nfs/dbraw/zinc/28/74/35/685287435.db2.gz RXVNBYBVKQBCES-GFCCVEGCSA-N 1 2 346.809 2.341 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2cc(C3CC3)cn2)C(C)(C)C1 ZINC000974753153 685402687 /nfs/dbraw/zinc/40/26/87/685402687.db2.gz PPAKZCNVRXLMJT-OAHLLOKOSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2cc(C3CC3)cn2)C(C)(C)C1 ZINC000974753153 685402691 /nfs/dbraw/zinc/40/26/91/685402691.db2.gz PPAKZCNVRXLMJT-OAHLLOKOSA-N 1 2 336.867 2.340 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2cnco2)cc1F ZINC001024582794 681235712 /nfs/dbraw/zinc/23/57/12/681235712.db2.gz FCIGLBFIEPRJHU-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2cnco2)cc1F ZINC001024582794 681235717 /nfs/dbraw/zinc/23/57/17/681235717.db2.gz FCIGLBFIEPRJHU-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn2cccnc12 ZINC001024589901 681249879 /nfs/dbraw/zinc/24/98/79/681249879.db2.gz OUNZAYCSBCJPMF-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnn2cccnc12 ZINC001024589901 681249885 /nfs/dbraw/zinc/24/98/85/681249885.db2.gz OUNZAYCSBCJPMF-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)c2[nH]nc3c2CCC3)C1 ZINC001028652453 681559782 /nfs/dbraw/zinc/55/97/82/681559782.db2.gz OIIGSMNHEBDWCA-AWEZNQCLSA-N 1 2 349.438 2.022 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)c2[nH]nc3c2CCC3)C1 ZINC001028652453 681559785 /nfs/dbraw/zinc/55/97/85/681559785.db2.gz OIIGSMNHEBDWCA-AWEZNQCLSA-N 1 2 349.438 2.022 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1[nH]nc2c1CCC2 ZINC001028653178 681564495 /nfs/dbraw/zinc/56/44/95/681564495.db2.gz ZXUOOGKFRCWJIB-QGZVFWFLSA-N 1 2 348.450 2.002 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1[nH]nc2c1CCC2 ZINC001028653178 681564501 /nfs/dbraw/zinc/56/45/01/681564501.db2.gz ZXUOOGKFRCWJIB-QGZVFWFLSA-N 1 2 348.450 2.002 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]([C@@H](C)c3csnn3)C2)cc1 ZINC001028731150 682027357 /nfs/dbraw/zinc/02/73/57/682027357.db2.gz ANKWWEJMXNJTHR-DZGCQCFKSA-N 1 2 340.452 2.332 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@@H](C)c3csnn3)C2)cc1 ZINC001028731150 682027363 /nfs/dbraw/zinc/02/73/63/682027363.db2.gz ANKWWEJMXNJTHR-DZGCQCFKSA-N 1 2 340.452 2.332 20 30 EEEDLO Cc1noc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC001025227671 682257430 /nfs/dbraw/zinc/25/74/30/682257430.db2.gz AXYMFRGDBORPLL-IAGOWNOFSA-N 1 2 342.443 2.137 20 30 EEEDLO Cc1noc(C[N@H+]2CCC[C@@H]2[C@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC001025227671 682257433 /nfs/dbraw/zinc/25/74/33/682257433.db2.gz AXYMFRGDBORPLL-IAGOWNOFSA-N 1 2 342.443 2.137 20 30 EEEDLO Cc1ncncc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029226092 683600599 /nfs/dbraw/zinc/60/05/99/683600599.db2.gz USBKLUMNWVCPFZ-KDURUIRLSA-N 1 2 346.434 2.126 20 30 EEEDLO Cc1ncncc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029226092 683600600 /nfs/dbraw/zinc/60/06/00/683600600.db2.gz USBKLUMNWVCPFZ-KDURUIRLSA-N 1 2 346.434 2.126 20 30 EEEDLO CC[C@H](OC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(F)cc1 ZINC001029236109 683651107 /nfs/dbraw/zinc/65/11/07/683651107.db2.gz NPDWHDKBXRRIRP-OTWHNJEPSA-N 1 2 344.430 2.277 20 30 EEEDLO CC[C@H](OC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001029236109 683651112 /nfs/dbraw/zinc/65/11/12/683651112.db2.gz NPDWHDKBXRRIRP-OTWHNJEPSA-N 1 2 344.430 2.277 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001026101782 683848445 /nfs/dbraw/zinc/84/84/45/683848445.db2.gz GLIXXDHWGNGZSH-YTYVFLFHSA-N 1 2 345.270 2.333 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC001026101782 683848451 /nfs/dbraw/zinc/84/84/51/683848451.db2.gz GLIXXDHWGNGZSH-YTYVFLFHSA-N 1 2 345.270 2.333 20 30 EEEDLO O=C(c1cc[nH]c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(F)cc1 ZINC001029317916 683972934 /nfs/dbraw/zinc/97/29/34/683972934.db2.gz STKNIDZADHEGOL-KDURUIRLSA-N 1 2 337.398 2.494 20 30 EEEDLO O=C(c1cc[nH]c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001029317916 683972936 /nfs/dbraw/zinc/97/29/36/683972936.db2.gz STKNIDZADHEGOL-KDURUIRLSA-N 1 2 337.398 2.494 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1conc1C ZINC001029337485 684032309 /nfs/dbraw/zinc/03/23/09/684032309.db2.gz FFSPSXSLRCXHCZ-CALCHBBNSA-N 1 2 340.427 2.460 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1conc1C ZINC001029337485 684032311 /nfs/dbraw/zinc/03/23/11/684032311.db2.gz FFSPSXSLRCXHCZ-CALCHBBNSA-N 1 2 340.427 2.460 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cncs2)c1 ZINC001029467064 684844055 /nfs/dbraw/zinc/84/40/55/684844055.db2.gz XQJLIFTWMMTVME-IYBDPMFKSA-N 1 2 338.436 2.008 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cncs2)c1 ZINC001029467064 684844058 /nfs/dbraw/zinc/84/40/58/684844058.db2.gz XQJLIFTWMMTVME-IYBDPMFKSA-N 1 2 338.436 2.008 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000984604192 684863270 /nfs/dbraw/zinc/86/32/70/684863270.db2.gz LKFDMMCMSHTHFV-KXBFYZLASA-N 1 2 346.475 2.312 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2occc2Br)C1 ZINC000956962584 685120361 /nfs/dbraw/zinc/12/03/61/685120361.db2.gz AKPMETLCTICFCF-UHFFFAOYSA-N 1 2 325.206 2.212 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000975517316 686666789 /nfs/dbraw/zinc/66/67/89/686666789.db2.gz SIHBXVJMVMJKMH-HNNXBMFYSA-N 1 2 344.459 2.053 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000975519184 686669570 /nfs/dbraw/zinc/66/95/70/686669570.db2.gz YTWKGSVRGZUDKC-HNNXBMFYSA-N 1 2 344.459 2.053 20 30 EEEDLO C[N@H+](Cc1nccs1)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001027354318 687646824 /nfs/dbraw/zinc/64/68/24/687646824.db2.gz CJGNANVJTZAOMW-ZDUSSCGKSA-N 1 2 329.429 2.079 20 30 EEEDLO C[N@@H+](Cc1nccs1)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001027354318 687646831 /nfs/dbraw/zinc/64/68/31/687646831.db2.gz CJGNANVJTZAOMW-ZDUSSCGKSA-N 1 2 329.429 2.079 20 30 EEEDLO C=CCCC(=O)NCC[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001059660686 687804090 /nfs/dbraw/zinc/80/40/90/687804090.db2.gz FPIKUELFPJJUHW-JKSUJKDBSA-N 1 2 332.448 2.155 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)c2n[nH]cc2C)C1 ZINC001027404023 687942322 /nfs/dbraw/zinc/94/23/22/687942322.db2.gz SLENFDRQPNEWDR-LBPRGKRZSA-N 1 2 341.253 2.163 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)c2n[nH]cc2C)C1 ZINC001027404023 687942330 /nfs/dbraw/zinc/94/23/30/687942330.db2.gz SLENFDRQPNEWDR-LBPRGKRZSA-N 1 2 341.253 2.163 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c3ncccc23)C1 ZINC001009657093 688189966 /nfs/dbraw/zinc/18/99/66/688189966.db2.gz HOPIIOSTUREFER-CQSZACIVSA-N 1 2 332.835 2.439 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c3ncccc23)C1 ZINC001009657093 688189969 /nfs/dbraw/zinc/18/99/69/688189969.db2.gz HOPIIOSTUREFER-CQSZACIVSA-N 1 2 332.835 2.439 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc(-c3ccn(C)c3)[nH]n2)C1 ZINC000988938589 691311489 /nfs/dbraw/zinc/31/14/89/691311489.db2.gz HYKLSHZOGAJWAL-GXTWGEPZSA-N 1 2 347.850 2.360 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]Cc3nc(CC)no3)C[C@H]2C)cc1 ZINC000989280345 691572798 /nfs/dbraw/zinc/57/27/98/691572798.db2.gz GUZPMBQQTNLXHD-CJNGLKHVSA-N 1 2 338.411 2.006 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2C#N)CC1(C)C ZINC000977412758 692596722 /nfs/dbraw/zinc/59/67/22/692596722.db2.gz ZJHZATOBKRIUCO-INIZCTEOSA-N 1 2 338.411 2.495 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2C#N)CC1(C)C ZINC000977412758 692596723 /nfs/dbraw/zinc/59/67/23/692596723.db2.gz ZJHZATOBKRIUCO-INIZCTEOSA-N 1 2 338.411 2.495 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)Cc2cn(CC)nn2)C1 ZINC001027559547 692999208 /nfs/dbraw/zinc/99/92/08/692999208.db2.gz ASQQIHWNEJXHGC-WMZOPIPTSA-N 1 2 333.480 2.323 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([N@H+](C)Cc2cn(CC)nn2)C1 ZINC001027559547 692999209 /nfs/dbraw/zinc/99/92/09/692999209.db2.gz ASQQIHWNEJXHGC-WMZOPIPTSA-N 1 2 333.480 2.323 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001060056547 693195960 /nfs/dbraw/zinc/19/59/60/693195960.db2.gz NYFIELPUKLGMAB-INIZCTEOSA-N 1 2 346.475 2.230 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)c2nocc2C)C1 ZINC001027639692 693715691 /nfs/dbraw/zinc/71/56/91/693715691.db2.gz DGHYNOXBVWVMRE-LBPRGKRZSA-N 1 2 342.237 2.428 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)c2nocc2C)C1 ZINC001027639692 693715695 /nfs/dbraw/zinc/71/56/95/693715695.db2.gz DGHYNOXBVWVMRE-LBPRGKRZSA-N 1 2 342.237 2.428 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000943410055 1192236177 /nfs/dbraw/zinc/23/61/77/1192236177.db2.gz XNWSRDRSIYPTIK-BEFAXECRSA-N 1 2 346.475 2.360 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3cnc(Cl)s3)C2)OCC1=O ZINC001272724705 1192276967 /nfs/dbraw/zinc/27/69/67/1192276967.db2.gz MZKJJKMDJAOXLC-HNNXBMFYSA-N 1 2 341.864 2.176 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3cnc(Cl)s3)C2)OCC1=O ZINC001272724705 1192276972 /nfs/dbraw/zinc/27/69/72/1192276972.db2.gz MZKJJKMDJAOXLC-HNNXBMFYSA-N 1 2 341.864 2.176 20 30 EEEDLO C[N@H+](CCNC(=O)c1ccc2cccnn21)Cc1ccccc1C#N ZINC001690982055 1176418135 /nfs/dbraw/zinc/41/81/35/1176418135.db2.gz NPMNSFCJRKBXRB-UHFFFAOYSA-N 1 2 333.395 2.068 20 30 EEEDLO C[N@@H+](CCNC(=O)c1ccc2cccnn21)Cc1ccccc1C#N ZINC001690982055 1176418142 /nfs/dbraw/zinc/41/81/42/1176418142.db2.gz NPMNSFCJRKBXRB-UHFFFAOYSA-N 1 2 333.395 2.068 20 30 EEEDLO Cc1cc(C)c(C(=O)NC[C@H]2CCCN2C(=O)C#CC2CC2)c(C)[nH+]1 ZINC000944007263 1192751584 /nfs/dbraw/zinc/75/15/84/1192751584.db2.gz BLSHIYFJZFVVHA-QGZVFWFLSA-N 1 2 339.439 2.141 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCCCN1C(=O)C(C)C ZINC001481018162 1179505970 /nfs/dbraw/zinc/50/59/70/1179505970.db2.gz GNTFLNNURZPASD-OAHLLOKOSA-N 1 2 343.899 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCCCN1C(=O)C(C)C ZINC001481018162 1179505972 /nfs/dbraw/zinc/50/59/72/1179505972.db2.gz GNTFLNNURZPASD-OAHLLOKOSA-N 1 2 343.899 2.214 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccco2)C1 ZINC001269061993 1183928553 /nfs/dbraw/zinc/92/85/53/1183928553.db2.gz VYTBLIXDCKPSGV-CABCVRRESA-N 1 2 333.432 2.004 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccco2)C1 ZINC001269061993 1183928558 /nfs/dbraw/zinc/92/85/58/1183928558.db2.gz VYTBLIXDCKPSGV-CABCVRRESA-N 1 2 333.432 2.004 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2nc3ccccc3n2C)C1 ZINC001269121990 1183979337 /nfs/dbraw/zinc/97/93/37/1183979337.db2.gz OAPUANMLSLKOQN-MRXNPFEDSA-N 1 2 338.455 2.457 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[N@H+](Cc2nc3ccccc3n2C)C1 ZINC001269121990 1183979341 /nfs/dbraw/zinc/97/93/41/1183979341.db2.gz OAPUANMLSLKOQN-MRXNPFEDSA-N 1 2 338.455 2.457 20 30 EEEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000073042478 1193302302 /nfs/dbraw/zinc/30/23/02/1193302302.db2.gz UPRXTHRMLQFLGA-GOEBONIOSA-N 1 2 341.415 2.452 20 30 EEEDLO CCC#CC(=O)N1CC[C@@H]2C[C@@]21C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001269857346 1184676779 /nfs/dbraw/zinc/67/67/79/1184676779.db2.gz DZAIJKKINUNRFB-QRWLVFNGSA-N 1 2 348.406 2.215 20 30 EEEDLO Cc1cc(C)cc(C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c1 ZINC001271562822 1186313070 /nfs/dbraw/zinc/31/30/70/1186313070.db2.gz ZFHHCCCSEWMKRB-UHFFFAOYSA-N 1 2 348.450 2.472 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)co1 ZINC001088535380 1187180203 /nfs/dbraw/zinc/18/02/03/1187180203.db2.gz QZXVZCLGOIIHKO-BZNIZROVSA-N 1 2 342.374 2.387 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C)co1 ZINC001088535380 1187180206 /nfs/dbraw/zinc/18/02/06/1187180206.db2.gz QZXVZCLGOIIHKO-BZNIZROVSA-N 1 2 342.374 2.387 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001482622519 1187445920 /nfs/dbraw/zinc/44/59/20/1187445920.db2.gz MSEZWDHWYVGMHO-GFCCVEGCSA-N 1 2 341.805 2.013 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001482622519 1187445921 /nfs/dbraw/zinc/44/59/21/1187445921.db2.gz MSEZWDHWYVGMHO-GFCCVEGCSA-N 1 2 341.805 2.013 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn4c3C[C@H](C)CC4)[C@@H]2C1 ZINC001076511452 1188962855 /nfs/dbraw/zinc/96/28/55/1188962855.db2.gz SUFUTTXRUAOWND-HACGYAERSA-N 1 2 348.878 2.364 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn4c3C[C@H](C)CC4)[C@@H]2C1 ZINC001076511452 1188962856 /nfs/dbraw/zinc/96/28/56/1188962856.db2.gz SUFUTTXRUAOWND-HACGYAERSA-N 1 2 348.878 2.364 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(N(C)C)cn3)[C@@H]2C1 ZINC001076618508 1189042445 /nfs/dbraw/zinc/04/24/45/1189042445.db2.gz OYJIRHQQUCIIDX-XJKSGUPXSA-N 1 2 334.851 2.046 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(N(C)C)cn3)[C@@H]2C1 ZINC001076618508 1189042449 /nfs/dbraw/zinc/04/24/49/1189042449.db2.gz OYJIRHQQUCIIDX-XJKSGUPXSA-N 1 2 334.851 2.046 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001076666754 1189091198 /nfs/dbraw/zinc/09/11/98/1189091198.db2.gz WLJTZDYFFKFWJP-HNNXBMFYSA-N 1 2 346.475 2.132 20 30 EEEDLO N#Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ncc[nH]2)c1 ZINC001272922610 1193606412 /nfs/dbraw/zinc/60/64/12/1193606412.db2.gz YIRSKJBZEZMELM-IAGOWNOFSA-N 1 2 335.411 2.047 20 30 EEEDLO N#Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ncc[nH]2)c1 ZINC001272922610 1193606413 /nfs/dbraw/zinc/60/64/13/1193606413.db2.gz YIRSKJBZEZMELM-IAGOWNOFSA-N 1 2 335.411 2.047 20 30 EEEDLO C[C@@]1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)CC=CCC1 ZINC001077052001 1189303460 /nfs/dbraw/zinc/30/34/60/1189303460.db2.gz OJHBJAWNWPLHSR-JFIYKMOQSA-N 1 2 345.468 2.027 20 30 EEEDLO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)CC=CCC1 ZINC001077052001 1189303463 /nfs/dbraw/zinc/30/34/63/1189303463.db2.gz OJHBJAWNWPLHSR-JFIYKMOQSA-N 1 2 345.468 2.027 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001077116662 1189341867 /nfs/dbraw/zinc/34/18/67/1189341867.db2.gz VSLJYDLMXOMEHI-LSDHHAIUSA-N 1 2 346.475 2.059 20 30 EEEDLO C[C@@H](CCNC(=O)c1cccc2[nH+]ccn21)NC(=O)C#CC(C)(C)C ZINC001077357404 1189494536 /nfs/dbraw/zinc/49/45/36/1189494536.db2.gz SZVMUMSEEZDILK-AWEZNQCLSA-N 1 2 340.427 2.008 20 30 EEEDLO N#Cc1cccnc1NC[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001105694110 1189584336 /nfs/dbraw/zinc/58/43/36/1189584336.db2.gz LFUWMEYIZHHFAQ-GOEBONIOSA-N 1 2 338.415 2.006 20 30 EEEDLO N#Cc1cccnc1NC[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001105694110 1189584341 /nfs/dbraw/zinc/58/43/41/1189584341.db2.gz LFUWMEYIZHHFAQ-GOEBONIOSA-N 1 2 338.415 2.006 20 30 EEEDLO N#Cc1sccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000905395897 1189718340 /nfs/dbraw/zinc/71/83/40/1189718340.db2.gz PPNWBNHVTDXZEK-OAHLLOKOSA-N 1 2 341.436 2.251 20 30 EEEDLO N#Cc1sccc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000905395897 1189718344 /nfs/dbraw/zinc/71/83/44/1189718344.db2.gz PPNWBNHVTDXZEK-OAHLLOKOSA-N 1 2 341.436 2.251 20 30 EEEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H](C3OCCO3)C2)nc1C1CC1 ZINC000905696114 1189891259 /nfs/dbraw/zinc/89/12/59/1189891259.db2.gz UIGUIPRCYRKFBF-ZDUSSCGKSA-N 1 2 336.461 2.130 20 30 EEEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H](C3OCCO3)C2)nc1C1CC1 ZINC000905696114 1189891264 /nfs/dbraw/zinc/89/12/64/1189891264.db2.gz UIGUIPRCYRKFBF-ZDUSSCGKSA-N 1 2 336.461 2.130 20 30 EEEDLO N#CCCCN1C(=O)COCC12C[NH+](Cc1coc3ccccc13)C2 ZINC001272666777 1190993848 /nfs/dbraw/zinc/99/38/48/1190993848.db2.gz GWZHYLSELZWRRI-UHFFFAOYSA-N 1 2 339.395 2.150 20 30 EEEDLO C=CCOc1ccc(C[NH+]2CC3(C2)COCC(=O)N3CC(C)C)cc1 ZINC001272988456 1194297404 /nfs/dbraw/zinc/29/74/04/1194297404.db2.gz SCGQZINODXKEAS-UHFFFAOYSA-N 1 2 344.455 2.321 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001033496006 1194647135 /nfs/dbraw/zinc/64/71/35/1194647135.db2.gz DRODVRHKORHPMK-SQNIBIBYSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001033496006 1194647136 /nfs/dbraw/zinc/64/71/36/1194647136.db2.gz DRODVRHKORHPMK-SQNIBIBYSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001033496786 1194648257 /nfs/dbraw/zinc/64/82/57/1194648257.db2.gz NOYRIBRXTWRASL-SQNIBIBYSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001033496786 1194648259 /nfs/dbraw/zinc/64/82/59/1194648259.db2.gz NOYRIBRXTWRASL-SQNIBIBYSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001033497676 1194648611 /nfs/dbraw/zinc/64/86/11/1194648611.db2.gz OJJCSRGNADQUNG-VYDXJSESSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001033497676 1194648614 /nfs/dbraw/zinc/64/86/14/1194648614.db2.gz OJJCSRGNADQUNG-VYDXJSESSA-N 1 2 349.500 2.465 20 30 EEEDLO CN(C(=O)c1nccs1)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033520347 1194669972 /nfs/dbraw/zinc/66/99/72/1194669972.db2.gz AQBFGVAMXKNGES-LLVKDONJSA-N 1 2 332.454 2.423 20 30 EEEDLO CN(C(=O)c1nccs1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033520347 1194669974 /nfs/dbraw/zinc/66/99/74/1194669974.db2.gz AQBFGVAMXKNGES-LLVKDONJSA-N 1 2 332.454 2.423 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2nc3ccccn3c2F)C1 ZINC001033560006 1194730551 /nfs/dbraw/zinc/73/05/51/1194730551.db2.gz WEDJPXNGPICUDU-GFCCVEGCSA-N 1 2 336.798 2.372 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nc3ccccn3c2F)C1 ZINC001033560006 1194730554 /nfs/dbraw/zinc/73/05/54/1194730554.db2.gz WEDJPXNGPICUDU-GFCCVEGCSA-N 1 2 336.798 2.372 20 30 EEEDLO CCc1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)no1 ZINC001033595028 1194926042 /nfs/dbraw/zinc/92/60/42/1194926042.db2.gz ZEGOKBOLYPRWLJ-MRXNPFEDSA-N 1 2 338.411 2.455 20 30 EEEDLO CCc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)no1 ZINC001033595028 1194926046 /nfs/dbraw/zinc/92/60/46/1194926046.db2.gz ZEGOKBOLYPRWLJ-MRXNPFEDSA-N 1 2 338.411 2.455 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001033617822 1194958600 /nfs/dbraw/zinc/95/86/00/1194958600.db2.gz BLIGJZNPFBVXEP-IBGZPJMESA-N 1 2 337.423 2.240 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001033617822 1194958604 /nfs/dbraw/zinc/95/86/04/1194958604.db2.gz BLIGJZNPFBVXEP-IBGZPJMESA-N 1 2 337.423 2.240 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001033617823 1194959145 /nfs/dbraw/zinc/95/91/45/1194959145.db2.gz BLIGJZNPFBVXEP-LJQANCHMSA-N 1 2 337.423 2.240 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001033617823 1194959147 /nfs/dbraw/zinc/95/91/47/1194959147.db2.gz BLIGJZNPFBVXEP-LJQANCHMSA-N 1 2 337.423 2.240 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]2C)CC1 ZINC001005241165 1194969306 /nfs/dbraw/zinc/96/93/06/1194969306.db2.gz FDPRTOLCBFTAHA-ZBFHGGJFSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001033649765 1195014897 /nfs/dbraw/zinc/01/48/97/1195014897.db2.gz DYYNKZIRARQRHU-HNNXBMFYSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001033649765 1195014900 /nfs/dbraw/zinc/01/49/00/1195014900.db2.gz DYYNKZIRARQRHU-HNNXBMFYSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC2(F)F)C1 ZINC001033829116 1195367039 /nfs/dbraw/zinc/36/70/39/1195367039.db2.gz HSVWVGLNYALRQK-QWRGUYRKSA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC2(F)F)C1 ZINC001033829116 1195367041 /nfs/dbraw/zinc/36/70/41/1195367041.db2.gz HSVWVGLNYALRQK-QWRGUYRKSA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc3ncnn32)C1 ZINC001033889293 1195432118 /nfs/dbraw/zinc/43/21/18/1195432118.db2.gz XBMSYOIQTMAOSE-ZDUSSCGKSA-N 1 2 333.823 2.018 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc3ncnn32)C1 ZINC001033889293 1195432120 /nfs/dbraw/zinc/43/21/20/1195432120.db2.gz XBMSYOIQTMAOSE-ZDUSSCGKSA-N 1 2 333.823 2.018 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2Cc3ccncc3C2)C1 ZINC001033958503 1195560457 /nfs/dbraw/zinc/56/04/57/1195560457.db2.gz PYUKLRXDMXIMJJ-RDJZCZTQSA-N 1 2 333.863 2.472 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2Cc3ccncc3C2)C1 ZINC001033958503 1195560459 /nfs/dbraw/zinc/56/04/59/1195560459.db2.gz PYUKLRXDMXIMJJ-RDJZCZTQSA-N 1 2 333.863 2.472 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001033960891 1195587687 /nfs/dbraw/zinc/58/76/87/1195587687.db2.gz MENZJXNBAQUCDO-ZACQAIPSSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001033960891 1195587690 /nfs/dbraw/zinc/58/76/90/1195587690.db2.gz MENZJXNBAQUCDO-ZACQAIPSSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnn3ncccc23)C1 ZINC001034246239 1195998105 /nfs/dbraw/zinc/99/81/05/1195998105.db2.gz WJYMNOVLJRCUCV-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnn3ncccc23)C1 ZINC001034246239 1195998107 /nfs/dbraw/zinc/99/81/07/1195998107.db2.gz WJYMNOVLJRCUCV-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cn3cccnc3n2)C1 ZINC001034294772 1196062040 /nfs/dbraw/zinc/06/20/40/1196062040.db2.gz XTOALMCJHGBPFK-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cn3cccnc3n2)C1 ZINC001034294772 1196062043 /nfs/dbraw/zinc/06/20/43/1196062043.db2.gz XTOALMCJHGBPFK-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](Cc3cnns3)C2)cc1 ZINC001034343837 1196126561 /nfs/dbraw/zinc/12/65/61/1196126561.db2.gz GJOHQBWVQRLALB-MRXNPFEDSA-N 1 2 340.452 2.304 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3cnns3)C2)cc1 ZINC001034343837 1196126563 /nfs/dbraw/zinc/12/65/63/1196126563.db2.gz GJOHQBWVQRLALB-MRXNPFEDSA-N 1 2 340.452 2.304 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2nccn3ccnc23)C1 ZINC001034402381 1196194586 /nfs/dbraw/zinc/19/45/86/1196194586.db2.gz OFPYFVWWPCEFQD-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2nccn3ccnc23)C1 ZINC001034402381 1196194588 /nfs/dbraw/zinc/19/45/88/1196194588.db2.gz OFPYFVWWPCEFQD-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@@]1(C)C[N@H+](CCOCC(F)F)CCO1 ZINC001108149248 1196637548 /nfs/dbraw/zinc/63/75/48/1196637548.db2.gz SIYPVAOPLZFQFJ-PBHICJAKSA-N 1 2 348.434 2.078 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@@]1(C)C[N@@H+](CCOCC(F)F)CCO1 ZINC001108149248 1196637552 /nfs/dbraw/zinc/63/75/52/1196637552.db2.gz SIYPVAOPLZFQFJ-PBHICJAKSA-N 1 2 348.434 2.078 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001108153936 1196696363 /nfs/dbraw/zinc/69/63/63/1196696363.db2.gz UZHPRIRMFNVNQS-IFXJQAMLSA-N 1 2 330.428 2.189 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001108153936 1196696364 /nfs/dbraw/zinc/69/63/64/1196696364.db2.gz UZHPRIRMFNVNQS-IFXJQAMLSA-N 1 2 330.428 2.189 20 30 EEEDLO C#CC[C@@H]1NC(=O)N(CCN(Cc2ccccc2)c2cccc[nH+]2)C1=O ZINC000871911116 1197968634 /nfs/dbraw/zinc/96/86/34/1197968634.db2.gz IWQUYYBBNUGVAA-KRWDZBQOSA-N 1 2 348.406 2.032 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(C#N)c(SC)n2)C1=O ZINC001273333946 1198222822 /nfs/dbraw/zinc/22/28/22/1198222822.db2.gz ZXRZKKJUJXKILC-GOSISDBHSA-N 1 2 342.468 2.428 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C#N)c(SC)n2)C1=O ZINC001273333946 1198222827 /nfs/dbraw/zinc/22/28/27/1198222827.db2.gz ZXRZKKJUJXKILC-GOSISDBHSA-N 1 2 342.468 2.428 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CC2(O)CCC2)CC[C@H]1C ZINC001132016769 1199211346 /nfs/dbraw/zinc/21/13/46/1199211346.db2.gz JPVKNVCQZPELRH-CHWSQXEVSA-N 1 2 345.281 2.169 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CC2(O)CCC2)CC[C@H]1C ZINC001132016769 1199211350 /nfs/dbraw/zinc/21/13/50/1199211350.db2.gz JPVKNVCQZPELRH-CHWSQXEVSA-N 1 2 345.281 2.169 20 30 EEEDLO Cc1cnc(C[N@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)cn1 ZINC001132037494 1199222140 /nfs/dbraw/zinc/22/21/40/1199222140.db2.gz CQUMNWSOAUQDSU-JKSUJKDBSA-N 1 2 328.460 2.304 20 30 EEEDLO Cc1cnc(C[N@@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)cn1 ZINC001132037494 1199222143 /nfs/dbraw/zinc/22/21/43/1199222143.db2.gz CQUMNWSOAUQDSU-JKSUJKDBSA-N 1 2 328.460 2.304 20 30 EEEDLO CCCCOC(=O)CC[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000810065022 1199254241 /nfs/dbraw/zinc/25/42/41/1199254241.db2.gz DLGXQKMCDUZNFN-UHFFFAOYSA-N 1 2 336.461 2.179 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)COCc2cc(C)no2)CC[C@@H]1C ZINC001132128249 1199335256 /nfs/dbraw/zinc/33/52/56/1199335256.db2.gz KEAXABFKHGFGBB-UONOGXRCSA-N 1 2 341.839 2.221 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)COCc2cc(C)no2)CC[C@@H]1C ZINC001132128249 1199335263 /nfs/dbraw/zinc/33/52/63/1199335263.db2.gz KEAXABFKHGFGBB-UONOGXRCSA-N 1 2 341.839 2.221 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2cc(C)sc2C)CC[C@@H]1C ZINC001132158187 1199373064 /nfs/dbraw/zinc/37/30/64/1199373064.db2.gz YMFFFMXXLHULIQ-SWLSCSKDSA-N 1 2 349.500 2.250 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2cc(C)sc2C)CC[C@@H]1C ZINC001132158187 1199373068 /nfs/dbraw/zinc/37/30/68/1199373068.db2.gz YMFFFMXXLHULIQ-SWLSCSKDSA-N 1 2 349.500 2.250 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCCc2c[nH]nn2)CC[C@H]1C ZINC001132210099 1199433715 /nfs/dbraw/zinc/43/37/15/1199433715.db2.gz BZMHOJBMFNHMBI-HIFRSBDPSA-N 1 2 339.871 2.239 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCCc2c[nH]nn2)CC[C@H]1C ZINC001132210099 1199433716 /nfs/dbraw/zinc/43/37/16/1199433716.db2.gz BZMHOJBMFNHMBI-HIFRSBDPSA-N 1 2 339.871 2.239 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC001018268884 1224549375 /nfs/dbraw/zinc/54/93/75/1224549375.db2.gz GJKVRYVLLIJBJH-GASCZTMLSA-N 1 2 338.411 2.290 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC001018268884 1224549381 /nfs/dbraw/zinc/54/93/81/1224549381.db2.gz GJKVRYVLLIJBJH-GASCZTMLSA-N 1 2 338.411 2.290 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2occc2C(C)C)CC[C@H]1C ZINC001132236018 1199483664 /nfs/dbraw/zinc/48/36/64/1199483664.db2.gz WYKGRAJGNGKYRQ-HUUCEWRRSA-N 1 2 347.459 2.288 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2occc2C(C)C)CC[C@H]1C ZINC001132236018 1199483668 /nfs/dbraw/zinc/48/36/68/1199483668.db2.gz WYKGRAJGNGKYRQ-HUUCEWRRSA-N 1 2 347.459 2.288 20 30 EEEDLO CC(C)C#CC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000825888416 1199682324 /nfs/dbraw/zinc/68/23/24/1199682324.db2.gz ZLMMBCPXMFBTRC-GOSISDBHSA-N 1 2 328.456 2.395 20 30 EEEDLO CC(C)(C)OC(=O)Nc1ccc(C[NH+]2CCN(CCC#N)CC2)cn1 ZINC000877748272 1200072549 /nfs/dbraw/zinc/07/25/49/1200072549.db2.gz ZMQSHBJHBKPKRS-UHFFFAOYSA-N 1 2 345.447 2.460 20 30 EEEDLO CCCCCCCC[C@H](C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000826075688 1200698620 /nfs/dbraw/zinc/69/86/20/1200698620.db2.gz YICDYYROLMJHRH-INIZCTEOSA-N 1 2 325.497 2.393 20 30 EEEDLO CCCCCCCC[C@H](C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000826075688 1200698623 /nfs/dbraw/zinc/69/86/23/1200698623.db2.gz YICDYYROLMJHRH-INIZCTEOSA-N 1 2 325.497 2.393 20 30 EEEDLO C=CCCC1(C(=O)NCC[NH2+]Cc2nc(CC(F)(F)F)no2)CC1 ZINC001133373702 1200811080 /nfs/dbraw/zinc/81/10/80/1200811080.db2.gz GGUAITAMWJBTBU-UHFFFAOYSA-N 1 2 346.353 2.127 20 30 EEEDLO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879584990 1201158606 /nfs/dbraw/zinc/15/86/06/1201158606.db2.gz OXYPGCOEKBYCGP-JKSUJKDBSA-N 1 2 328.460 2.374 20 30 EEEDLO Cc1nc(CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)cs1 ZINC000129168872 1201741753 /nfs/dbraw/zinc/74/17/53/1201741753.db2.gz BAZHBFHSQPJIJH-UHFFFAOYSA-N 1 2 346.456 2.121 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3cc(C#N)nc(C)n3)CC2)cc1F ZINC000881772644 1201756820 /nfs/dbraw/zinc/75/68/20/1201756820.db2.gz ODYLDRANIZCJGX-UHFFFAOYSA-N 1 2 341.390 2.127 20 30 EEEDLO C[C@H]1C[C@H](NC(=O)C(F)F)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000946952291 1201831620 /nfs/dbraw/zinc/83/16/20/1201831620.db2.gz KNXPDASVQFFFGX-IINYFYTJSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@H]1C[C@H](NC(=O)C(F)F)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000946952291 1201831621 /nfs/dbraw/zinc/83/16/21/1201831621.db2.gz KNXPDASVQFFFGX-IINYFYTJSA-N 1 2 325.334 2.432 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](N[C@H](c2ccn(C)n2)c2ccc(F)cc2)C1 ZINC000886661658 1202541559 /nfs/dbraw/zinc/54/15/59/1202541559.db2.gz ZSRLHFZDCYFOLZ-HKUYNNGSSA-N 1 2 326.419 2.336 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](N[C@H](c2ccn(C)n2)c2ccc(F)cc2)C1 ZINC000886661658 1202541560 /nfs/dbraw/zinc/54/15/60/1202541560.db2.gz ZSRLHFZDCYFOLZ-HKUYNNGSSA-N 1 2 326.419 2.336 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C)CC1 ZINC001011942999 1224748950 /nfs/dbraw/zinc/74/89/50/1224748950.db2.gz MLMHAZCZRWYZMG-HOCLYGCPSA-N 1 2 344.459 2.113 20 30 EEEDLO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)nc1 ZINC000889219341 1204589949 /nfs/dbraw/zinc/58/99/49/1204589949.db2.gz JUTXMIQHEAFNTO-UHFFFAOYSA-N 1 2 327.413 2.364 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)ccn1 ZINC001274279659 1204984373 /nfs/dbraw/zinc/98/43/73/1204984373.db2.gz HFQPUNJMKKMCAW-ZIAGYGMSSA-N 1 2 338.333 2.081 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)ccn1 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HDVCIFZYRWAUAB-QZTJIDSGSA-N 1 2 335.411 2.025 20 30 EEEDLO COCCOCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(Cl)c1C#N)C2 ZINC001275363296 1205322978 /nfs/dbraw/zinc/32/29/78/1205322978.db2.gz OVEIEZFBFBFUPK-ZBFHGGJFSA-N 1 2 349.862 2.338 20 30 EEEDLO COCCOCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(Cl)c1C#N)C2 ZINC001275363296 1205322979 /nfs/dbraw/zinc/32/29/79/1205322979.db2.gz OVEIEZFBFBFUPK-ZBFHGGJFSA-N 1 2 349.862 2.338 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1cc[nH]c(=O)c1 ZINC001447329701 1205547589 /nfs/dbraw/zinc/54/75/89/1205547589.db2.gz IPCHLGFRDLRTAW-UHFFFAOYSA-N 1 2 342.237 2.090 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1cc[nH]c(=O)c1 ZINC001447329701 1205547591 /nfs/dbraw/zinc/54/75/91/1205547591.db2.gz IPCHLGFRDLRTAW-UHFFFAOYSA-N 1 2 342.237 2.090 20 30 EEEDLO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]cc3ncnc1-3)C2 ZINC001095446691 1205766471 /nfs/dbraw/zinc/76/64/71/1205766471.db2.gz DMRVVSNFCWYBRT-INWMFGNUSA-N 1 2 325.416 2.259 20 30 EEEDLO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]cc3ncnc1-3)C2 ZINC001095446691 1205766473 /nfs/dbraw/zinc/76/64/73/1205766473.db2.gz DMRVVSNFCWYBRT-INWMFGNUSA-N 1 2 325.416 2.259 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C(C)C ZINC001110897541 1206055937 /nfs/dbraw/zinc/05/59/37/1206055937.db2.gz NYCXNMOQYDHOGM-FPCVCCKLSA-N 1 2 335.492 2.081 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C(C)C ZINC001110897541 1206055939 /nfs/dbraw/zinc/05/59/39/1206055939.db2.gz NYCXNMOQYDHOGM-FPCVCCKLSA-N 1 2 335.492 2.081 20 30 EEEDLO Cc1nc(N2CCC[C@](C)(CNC(=O)c3ccc(C#N)[nH]3)C2)cc[nH+]1 ZINC001110924667 1206270605 /nfs/dbraw/zinc/27/06/05/1206270605.db2.gz UPLDUYKQLJXSNJ-GOSISDBHSA-N 1 2 338.415 2.021 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(OC)n1 ZINC001110933611 1206314467 /nfs/dbraw/zinc/31/44/67/1206314467.db2.gz OSTGXZUMZONGMO-DZUCGIPZSA-N 1 2 344.459 2.309 20 30 EEEDLO 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DWNBOSDJWKVRHR-UXHICEINSA-N 1 2 345.446 2.460 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCc2cccnc21 ZINC000948953365 1209472229 /nfs/dbraw/zinc/47/22/29/1209472229.db2.gz DWNBOSDJWKVRHR-UXHICEINSA-N 1 2 345.446 2.460 20 30 EEEDLO CCN(C(=O)[C@H]1C[C@@H]1C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000949609086 1209759186 /nfs/dbraw/zinc/75/91/86/1209759186.db2.gz XIFPWIJXPOBLNP-KSSFIOAISA-N 1 2 327.428 2.278 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC000950388945 1210186036 /nfs/dbraw/zinc/18/60/36/1210186036.db2.gz MEUSJXXIGCRIAJ-MRXNPFEDSA-N 1 2 335.492 2.132 20 30 EEEDLO C=CCOc1ccccc1C(=O)N(CC)C1C[NH+]([C@@H](C)COC)C1 ZINC000950645542 1210322441 /nfs/dbraw/zinc/32/24/41/1210322441.db2.gz QHJKAHYRKQISLR-HNNXBMFYSA-N 1 2 332.444 2.433 20 30 EEEDLO CN1CC[NH+](Cc2cccc(NC(=O)C#Cc3ccccc3)c2)CC1 ZINC000080593841 1210972425 /nfs/dbraw/zinc/97/24/25/1210972425.db2.gz BZVPYLZQQGAVOU-UHFFFAOYSA-N 1 2 333.435 2.424 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(OC)ns3)C2)cc1 ZINC001015483193 1225316130 /nfs/dbraw/zinc/31/61/30/1225316130.db2.gz UZMFXDNDMAAONE-OAHLLOKOSA-N 1 2 341.436 2.137 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(OC)ns3)C2)cc1 ZINC001015483193 1225316135 /nfs/dbraw/zinc/31/61/35/1225316135.db2.gz UZMFXDNDMAAONE-OAHLLOKOSA-N 1 2 341.436 2.137 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@H](C)C2)C1 ZINC000955656181 1213240527 /nfs/dbraw/zinc/24/05/27/1213240527.db2.gz OHLNNXSEJDNSIM-HUUCEWRRSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C)CC1 ZINC000955810504 1213346863 /nfs/dbraw/zinc/34/68/63/1213346863.db2.gz RIAOPLSNMFCMGQ-ZBFHGGJFSA-N 1 2 344.459 2.194 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccc3nonc3c2)C1 ZINC001015646564 1225504703 /nfs/dbraw/zinc/50/47/03/1225504703.db2.gz UFSHLRFGXOUQDK-INIZCTEOSA-N 1 2 347.378 2.099 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccc3nonc3c2)C1 ZINC001015646564 1225504707 /nfs/dbraw/zinc/50/47/07/1225504707.db2.gz UFSHLRFGXOUQDK-INIZCTEOSA-N 1 2 347.378 2.099 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000959302652 1214460582 /nfs/dbraw/zinc/46/05/82/1214460582.db2.gz WBMFHSXLGYURRZ-GOEBONIOSA-N 1 2 344.459 2.052 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ncccn3)C[C@H]21 ZINC001114686944 1214935971 /nfs/dbraw/zinc/93/59/71/1214935971.db2.gz UUJDBYFZPKWZAF-CBZIJGRNSA-N 1 2 326.444 2.168 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ncccn3)C[C@H]21 ZINC001114686944 1214935974 /nfs/dbraw/zinc/93/59/74/1214935974.db2.gz UUJDBYFZPKWZAF-CBZIJGRNSA-N 1 2 326.444 2.168 20 30 EEEDLO CCCc1nc(C[N@H+](CC)CC2CCN(C(=O)[C@H](C)C#N)CC2)no1 ZINC000957689774 1215347166 /nfs/dbraw/zinc/34/71/66/1215347166.db2.gz FGLABJZGBIDEIM-CQSZACIVSA-N 1 2 347.463 2.242 20 30 EEEDLO CCCc1nc(C[N@@H+](CC)CC2CCN(C(=O)[C@H](C)C#N)CC2)no1 ZINC000957689774 1215347170 /nfs/dbraw/zinc/34/71/70/1215347170.db2.gz 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/nfs/dbraw/zinc/69/26/41/1216692641.db2.gz IVCFHAYHLROYDL-CQSZACIVSA-N 1 2 329.429 2.079 20 30 EEEDLO C[N@@H+](Cc1coc(C2CC2)n1)C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC000960615309 1216738281 /nfs/dbraw/zinc/73/82/81/1216738281.db2.gz WRMUEISZRBQPDV-KRWDZBQOSA-N 1 2 327.428 2.388 20 30 EEEDLO C[N@H+](Cc1coc(C2CC2)n1)C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC000960615309 1216738284 /nfs/dbraw/zinc/73/82/84/1216738284.db2.gz WRMUEISZRBQPDV-KRWDZBQOSA-N 1 2 327.428 2.388 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nccs1 ZINC000960884936 1216960739 /nfs/dbraw/zinc/96/07/39/1216960739.db2.gz SQFAXGGTSRHQMW-KFWWJZLASA-N 1 2 335.473 2.157 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nccs1 ZINC000960884936 1216960742 /nfs/dbraw/zinc/96/07/42/1216960742.db2.gz SQFAXGGTSRHQMW-KFWWJZLASA-N 1 2 335.473 2.157 20 30 EEEDLO CC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CCOCC1 ZINC001015845672 1225738592 /nfs/dbraw/zinc/73/85/92/1225738592.db2.gz LYFBEWGUSSZCHL-MRXNPFEDSA-N 1 2 345.418 2.205 20 30 EEEDLO CC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CCOCC1 ZINC001015845672 1225738595 /nfs/dbraw/zinc/73/85/95/1225738595.db2.gz LYFBEWGUSSZCHL-MRXNPFEDSA-N 1 2 345.418 2.205 20 30 EEEDLO C=C1CCC(C(=O)NC2CC(C[NH2+]Cc3noc(CC)n3)C2)CC1 ZINC000962260323 1217576376 /nfs/dbraw/zinc/57/63/76/1217576376.db2.gz WHPJBPYEGNSNSL-UHFFFAOYSA-N 1 2 332.448 2.363 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3ccco3)C2)c(F)c1 ZINC001015882389 1225781598 /nfs/dbraw/zinc/78/15/98/1225781598.db2.gz PMDGIKXPJQTTPT-OAHLLOKOSA-N 1 2 327.359 2.224 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cc3ccco3)C2)c(F)c1 ZINC001015882389 1225781606 /nfs/dbraw/zinc/78/16/06/1225781606.db2.gz PMDGIKXPJQTTPT-OAHLLOKOSA-N 1 2 327.359 2.224 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)c(C)o1 ZINC001015895221 1225798439 /nfs/dbraw/zinc/79/84/39/1225798439.db2.gz HCWTWTZSCFYKMY-KRWDZBQOSA-N 1 2 341.386 2.286 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)c(C)o1 ZINC001015895221 1225798446 /nfs/dbraw/zinc/79/84/46/1225798446.db2.gz HCWTWTZSCFYKMY-KRWDZBQOSA-N 1 2 341.386 2.286 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cncc(COC)c2)C1 ZINC000966842359 1220063004 /nfs/dbraw/zinc/06/30/04/1220063004.db2.gz JXRVCYYKBKZFPU-WBMJQRKESA-N 1 2 337.851 2.421 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cncc(COC)c2)C1 ZINC000966842359 1220063008 /nfs/dbraw/zinc/06/30/08/1220063008.db2.gz JXRVCYYKBKZFPU-WBMJQRKESA-N 1 2 337.851 2.421 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)nc1 ZINC001016023767 1225968308 /nfs/dbraw/zinc/96/83/08/1225968308.db2.gz MKBKIFMVOGWLMT-QGZVFWFLSA-N 1 2 348.381 2.078 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)nc1 ZINC001016023767 1225968315 /nfs/dbraw/zinc/96/83/15/1225968315.db2.gz MKBKIFMVOGWLMT-QGZVFWFLSA-N 1 2 348.381 2.078 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3F)C2)cn1 ZINC001016026768 1225972381 /nfs/dbraw/zinc/97/23/81/1225972381.db2.gz JEIJEGWUELQLHD-KRWDZBQOSA-N 1 2 341.361 2.345 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3F)C2)cn1 ZINC001016026768 1225972388 /nfs/dbraw/zinc/97/23/88/1225972388.db2.gz JEIJEGWUELQLHD-KRWDZBQOSA-N 1 2 341.361 2.345 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1csnn1 ZINC000967493218 1220563065 /nfs/dbraw/zinc/56/30/65/1220563065.db2.gz FCJKYIBMQALTIM-WFASDCNBSA-N 1 2 341.440 2.050 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1csnn1 ZINC000967493218 1220563069 /nfs/dbraw/zinc/56/30/69/1220563069.db2.gz FCJKYIBMQALTIM-WFASDCNBSA-N 1 2 341.440 2.050 20 30 EEEDLO C[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cnco1 ZINC000967557493 1220625369 /nfs/dbraw/zinc/62/53/69/1220625369.db2.gz IISWBINJUMQIFN-WMLDXEAASA-N 1 2 341.386 2.306 20 30 EEEDLO C[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cnco1 ZINC000967557493 1220625372 /nfs/dbraw/zinc/62/53/72/1220625372.db2.gz IISWBINJUMQIFN-WMLDXEAASA-N 1 2 341.386 2.306 20 30 EEEDLO 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NBAIFMJNBSEOAM-RDJZCZTQSA-N 1 2 345.418 2.205 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)c3cnccn3)C2)cc1 ZINC001008148956 1222653821 /nfs/dbraw/zinc/65/38/21/1222653821.db2.gz OVZIKXZFPZCVIW-QAPCUYQASA-N 1 2 334.423 2.413 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H](C)c3cnccn3)C2)cc1 ZINC001008148956 1222653825 /nfs/dbraw/zinc/65/38/25/1222653825.db2.gz OVZIKXZFPZCVIW-QAPCUYQASA-N 1 2 334.423 2.413 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001008888734 1223068449 /nfs/dbraw/zinc/06/84/49/1223068449.db2.gz SHNBEHPTEVSCKD-CQSZACIVSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001008888734 1223068453 /nfs/dbraw/zinc/06/84/53/1223068453.db2.gz SHNBEHPTEVSCKD-CQSZACIVSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC001009255883 1223190147 /nfs/dbraw/zinc/19/01/47/1223190147.db2.gz XBCXEYOBPQBKTD-INIZCTEOSA-N 1 2 349.862 2.335 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC001009255883 1223190148 /nfs/dbraw/zinc/19/01/48/1223190148.db2.gz XBCXEYOBPQBKTD-INIZCTEOSA-N 1 2 349.862 2.335 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001009748492 1223353969 /nfs/dbraw/zinc/35/39/69/1223353969.db2.gz HPJVHQPNKBSUAF-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001009748492 1223353970 /nfs/dbraw/zinc/35/39/70/1223353970.db2.gz HPJVHQPNKBSUAF-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001010222780 1223613190 /nfs/dbraw/zinc/61/31/90/1223613190.db2.gz AWPPREMHOLVCNH-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001010222780 1223613192 /nfs/dbraw/zinc/61/31/92/1223613192.db2.gz AWPPREMHOLVCNH-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO CCc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)co1 ZINC001010675789 1223846018 /nfs/dbraw/zinc/84/60/18/1223846018.db2.gz AIQFOVVKPFMDQC-AWEZNQCLSA-N 1 2 342.374 2.252 20 30 EEEDLO CCc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)co1 ZINC001010675789 1223846020 /nfs/dbraw/zinc/84/60/20/1223846020.db2.gz AIQFOVVKPFMDQC-AWEZNQCLSA-N 1 2 342.374 2.252 20 30 EEEDLO CC(C)c1ncncc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016277691 1226290449 /nfs/dbraw/zinc/29/04/49/1226290449.db2.gz QKKVPBDCHPPEAC-QGZVFWFLSA-N 1 2 349.438 2.476 20 30 EEEDLO CC(C)c1ncncc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016277691 1226290455 /nfs/dbraw/zinc/29/04/55/1226290455.db2.gz QKKVPBDCHPPEAC-QGZVFWFLSA-N 1 2 349.438 2.476 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)[C@@H](C)C1 ZINC001067183549 1227342990 /nfs/dbraw/zinc/34/29/90/1227342990.db2.gz RPDKNDOVIRIYDZ-JSGCOSHPSA-N 1 2 346.479 2.107 20 30 EEEDLO Cc1ncccc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)[nH]1 ZINC001017487935 1227461258 /nfs/dbraw/zinc/46/12/58/1227461258.db2.gz NVZXDESLIBTLSR-CALCHBBNSA-N 1 2 335.411 2.079 20 30 EEEDLO Cc1ncccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)[nH]1 ZINC001017487935 1227461260 /nfs/dbraw/zinc/46/12/60/1227461260.db2.gz NVZXDESLIBTLSR-CALCHBBNSA-N 1 2 335.411 2.079 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)C(C)(C)C)C1=O ZINC001017664767 1227616424 /nfs/dbraw/zinc/61/64/24/1227616424.db2.gz JPCKVKDVHSZEEL-NCOADZHNSA-N 1 2 347.503 2.131 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)C(C)(C)C)C1=O ZINC001017664767 1227616425 /nfs/dbraw/zinc/61/64/25/1227616425.db2.gz JPCKVKDVHSZEEL-NCOADZHNSA-N 1 2 347.503 2.131 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccncc2)on1 ZINC001017869444 1227809599 /nfs/dbraw/zinc/80/95/99/1227809599.db2.gz IZUNZKOIYYAIPS-IYBDPMFKSA-N 1 2 336.395 2.049 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccncc2)on1 ZINC001017869444 1227809604 /nfs/dbraw/zinc/80/96/04/1227809604.db2.gz IZUNZKOIYYAIPS-IYBDPMFKSA-N 1 2 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ZINC001096542884 1241223269 /nfs/dbraw/zinc/22/32/69/1241223269.db2.gz ZGGHJTQLNUQMQL-KCXAZCMYSA-N 1 2 347.846 2.364 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@@H](N(C)c3nc(C)[nH+]c(C)c3C)C2)c1 ZINC001057027899 1241333180 /nfs/dbraw/zinc/33/31/80/1241333180.db2.gz RXQICJIMOMTLRL-GOSISDBHSA-N 1 2 349.438 2.129 20 30 EEEDLO CN(c1ccncc1C#N)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001057066988 1241571931 /nfs/dbraw/zinc/57/19/31/1241571931.db2.gz BRURVTSDAQHNLZ-OAHLLOKOSA-N 1 2 346.394 2.180 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cnn(CC)n1 ZINC001049636618 1241721283 /nfs/dbraw/zinc/72/12/83/1241721283.db2.gz SXBISXLUOHFVIO-JKSUJKDBSA-N 1 2 331.464 2.076 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cnn(CC)n1 ZINC001049636618 1241721289 /nfs/dbraw/zinc/72/12/89/1241721289.db2.gz SXBISXLUOHFVIO-JKSUJKDBSA-N 1 2 331.464 2.076 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(COC)on1 ZINC001049772491 1242146461 /nfs/dbraw/zinc/14/64/61/1242146461.db2.gz IHGAULBBQMOJKM-LSDHHAIUSA-N 1 2 339.823 2.252 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(COC)on1 ZINC001049772491 1242146466 /nfs/dbraw/zinc/14/64/66/1242146466.db2.gz IHGAULBBQMOJKM-LSDHHAIUSA-N 1 2 339.823 2.252 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2nc(C)sc2C)C1 ZINC001073657912 1242608211 /nfs/dbraw/zinc/60/82/11/1242608211.db2.gz RMGJKICIYYDMNA-ZDUSSCGKSA-N 1 2 343.880 2.333 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2nc(C)sc2C)C1 ZINC001073657912 1242608224 /nfs/dbraw/zinc/60/82/24/1242608224.db2.gz RMGJKICIYYDMNA-ZDUSSCGKSA-N 1 2 343.880 2.333 20 30 EEEDLO N#Cc1ccc(N[C@H]2CCCCCN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001049915915 1242696775 /nfs/dbraw/zinc/69/67/75/1242696775.db2.gz SJDIBJMCNUTBFX-KRWDZBQOSA-N 1 2 338.415 2.033 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](Nc1[nH+]cnc2c1cnn2C)C1CC1 ZINC001096779334 1243248058 /nfs/dbraw/zinc/24/80/58/1243248058.db2.gz TXBDWEZWHBYFFA-DOMZBBRYSA-N 1 2 342.447 2.272 20 30 EEEDLO C[C@@H](CC(=O)NC[C@@H](Nc1ccc(C#N)cn1)C1CC1)n1cc[nH+]c1 ZINC001096819501 1243326416 /nfs/dbraw/zinc/32/64/16/1243326416.db2.gz CQSSINUSUCHEON-XJKSGUPXSA-N 1 2 338.415 2.108 20 30 EEEDLO N#Cc1ccc(N[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C2CC2)cn1 ZINC001096851351 1243369886 /nfs/dbraw/zinc/36/98/86/1243369886.db2.gz GPCHMZLJSTXDIQ-SFHVURJKSA-N 1 2 346.394 2.450 20 30 EEEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)[nH]n1 ZINC001096822024 1243385850 /nfs/dbraw/zinc/38/58/50/1243385850.db2.gz CLUIUOFFHNPYKT-GGPKGHCWSA-N 1 2 348.450 2.359 20 30 EEEDLO CCc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)[nH]n1 ZINC001096822024 1243385859 /nfs/dbraw/zinc/38/58/59/1243385859.db2.gz CLUIUOFFHNPYKT-GGPKGHCWSA-N 1 2 348.450 2.359 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097284611 1243924784 /nfs/dbraw/zinc/92/47/84/1243924784.db2.gz MJLSMQHCQWSHHM-HOCLYGCPSA-N 1 2 332.448 2.099 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CN(c2cc[nH+]c(C)n2)CC[C@H]1C ZINC001067963900 1250084957 /nfs/dbraw/zinc/08/49/57/1250084957.db2.gz WBCRBLCSZHECPV-BEFAXECRSA-N 1 2 348.450 2.340 20 30 EEEDLO C=CCOCCCC(=O)N1C[C@@H]2CC[C@H](Nc3cc[nH+]c(C)n3)[C@@H]2C1 ZINC001097597632 1244403683 /nfs/dbraw/zinc/40/36/83/1244403683.db2.gz ZBBDUIHAAYDWGK-BBWFWOEESA-N 1 2 344.459 2.417 20 30 EEEDLO Cc1nc(N[C@H](C)CNC(=O)c2ccc(C#N)[nH]2)c2c([nH+]1)CCCC2 ZINC001097760310 1244557845 /nfs/dbraw/zinc/55/78/45/1244557845.db2.gz UTJUMWFYGKBXAN-LLVKDONJSA-N 1 2 338.415 2.094 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097761941 1244560279 /nfs/dbraw/zinc/56/02/79/1244560279.db2.gz ZFFMLNBFSYBESG-NXHRZFHOSA-N 1 2 336.395 2.390 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097761941 1244560292 /nfs/dbraw/zinc/56/02/92/1244560292.db2.gz ZFFMLNBFSYBESG-NXHRZFHOSA-N 1 2 336.395 2.390 20 30 EEEDLO C=CCCCC(=O)N1C[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001055343903 1250131546 /nfs/dbraw/zinc/13/15/46/1250131546.db2.gz JYNYPJSUQOALEY-ZACQAIPSSA-N 1 2 344.459 2.107 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1nccc2ccsc21 ZINC001050964048 1244743733 /nfs/dbraw/zinc/74/37/33/1244743733.db2.gz RQDHJXWHPZGKSD-AWEZNQCLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1nccc2ccsc21 ZINC001050964048 1244743743 /nfs/dbraw/zinc/74/37/43/1244743743.db2.gz RQDHJXWHPZGKSD-AWEZNQCLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001051165351 1245071518 /nfs/dbraw/zinc/07/15/18/1245071518.db2.gz ZQKPIGPDORLXRB-CEXWTWQISA-N 1 2 328.456 2.492 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001051165351 1245071523 /nfs/dbraw/zinc/07/15/23/1245071523.db2.gz ZQKPIGPDORLXRB-CEXWTWQISA-N 1 2 328.456 2.492 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(CC)c1C1CC1 ZINC001051203155 1245384684 /nfs/dbraw/zinc/38/46/84/1245384684.db2.gz OIWQFJPPWRKXJK-MRXNPFEDSA-N 1 2 346.475 2.177 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(CC)c1C1CC1 ZINC001051203155 1245384690 /nfs/dbraw/zinc/38/46/90/1245384690.db2.gz OIWQFJPPWRKXJK-MRXNPFEDSA-N 1 2 346.475 2.177 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1coc(-c2ccccc2)n1 ZINC001051212045 1245396458 /nfs/dbraw/zinc/39/64/58/1245396458.db2.gz KHTMHHVXLDPMLS-MRXNPFEDSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1coc(-c2ccccc2)n1 ZINC001051212045 1245396465 /nfs/dbraw/zinc/39/64/65/1245396465.db2.gz KHTMHHVXLDPMLS-MRXNPFEDSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2ncsc2c1 ZINC001051235821 1245424306 /nfs/dbraw/zinc/42/43/06/1245424306.db2.gz TYBRVBYTEPGXFG-AWEZNQCLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2ncsc2c1 ZINC001051235821 1245424312 /nfs/dbraw/zinc/42/43/12/1245424312.db2.gz TYBRVBYTEPGXFG-AWEZNQCLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001051248419 1245437050 /nfs/dbraw/zinc/43/70/50/1245437050.db2.gz BJYXMVPSCRDRAV-UONOGXRCSA-N 1 2 346.475 2.253 20 30 EEEDLO C=CCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001051248865 1245438044 /nfs/dbraw/zinc/43/80/44/1245438044.db2.gz GCCMETIHHLPDEJ-UONOGXRCSA-N 1 2 332.448 2.007 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c(Cl)cccc1OC ZINC001051254535 1245444521 /nfs/dbraw/zinc/44/45/21/1245444521.db2.gz IUPSDHZIMSGMDR-CYBMUJFWSA-N 1 2 338.835 2.355 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(Cl)cccc1OC ZINC001051254535 1245444523 /nfs/dbraw/zinc/44/45/23/1245444523.db2.gz IUPSDHZIMSGMDR-CYBMUJFWSA-N 1 2 338.835 2.355 20 30 EEEDLO C=CC[N@@H+]1CCc2c(CNC(=O)c3[nH]nc4c3CCC4)cccc2C1 ZINC001051291942 1245487331 /nfs/dbraw/zinc/48/73/31/1245487331.db2.gz GZODPQSGOIDOGR-UHFFFAOYSA-N 1 2 336.439 2.373 20 30 EEEDLO C=CC[N@H+]1CCc2c(CNC(=O)c3[nH]nc4c3CCC4)cccc2C1 ZINC001051291942 1245487338 /nfs/dbraw/zinc/48/73/38/1245487338.db2.gz GZODPQSGOIDOGR-UHFFFAOYSA-N 1 2 336.439 2.373 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]([C@@H](C)NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001051516618 1245813736 /nfs/dbraw/zinc/81/37/36/1245813736.db2.gz SZQVGICRBKHQQY-ZBFHGGJFSA-N 1 2 344.459 2.052 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)CCNc2cc(C)[nH+]c(C3CC3)n2)nc1 ZINC001101709263 1246156730 /nfs/dbraw/zinc/15/67/30/1246156730.db2.gz YGHFWJQQXOSKQA-UHFFFAOYSA-N 1 2 335.411 2.223 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)CCO2 ZINC001053397137 1246282222 /nfs/dbraw/zinc/28/22/22/1246282222.db2.gz MEDBTXPYFUFGJL-KGLIPLIRSA-N 1 2 346.393 2.454 20 30 EEEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C3CCCCCC3)C2)CC1 ZINC001051991560 1246351157 /nfs/dbraw/zinc/35/11/57/1246351157.db2.gz JKJBFABNICRQHX-IBGZPJMESA-N 1 2 331.504 2.199 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnc(C(C)C)nc1C)CCO2 ZINC001053459894 1246358992 /nfs/dbraw/zinc/35/89/92/1246358992.db2.gz FMMZNJJPXLYNFX-UHFFFAOYSA-N 1 2 344.459 2.011 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3nc(C(C)C)oc3C)C2)CC1 ZINC001052025785 1246388301 /nfs/dbraw/zinc/38/83/01/1246388301.db2.gz JUGNKOWSPOVUJX-INIZCTEOSA-N 1 2 346.475 2.125 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C(C)(C)C(F)(F)F)C2)CC1 ZINC001052109705 1246490131 /nfs/dbraw/zinc/49/01/31/1246490131.db2.gz HKTIUSJHIPTZFJ-AWEZNQCLSA-N 1 2 347.425 2.370 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H](C)C3CC3)C2)CC1 ZINC001052121907 1246508404 /nfs/dbraw/zinc/50/84/04/1246508404.db2.gz KFBDRIQPKVRYFV-WMLDXEAASA-N 1 2 339.911 2.394 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCCC3(C)C)C2)CC1 ZINC001052123644 1246509524 /nfs/dbraw/zinc/50/95/24/1246509524.db2.gz LBBAZXQYQVCLIA-MOPGFXCFSA-N 1 2 345.531 2.445 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(C)noc1C1CC1)O2 ZINC001053629104 1246558992 /nfs/dbraw/zinc/55/89/92/1246558992.db2.gz GQKXBQHKBFMSMI-AWEZNQCLSA-N 1 2 331.416 2.010 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCO[C@H]1C(=C)C)O2 ZINC001053675817 1246629447 /nfs/dbraw/zinc/62/94/47/1246629447.db2.gz SSJXRVDFABHNJF-SQNIBIBYSA-N 1 2 348.487 2.283 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc3c(c1)COC3)O2 ZINC001053676678 1246630972 /nfs/dbraw/zinc/63/09/72/1246630972.db2.gz IAIGLBPELYEDMM-GOSISDBHSA-N 1 2 342.439 2.256 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc(C(C)C)s1)O2 ZINC001053704885 1246685249 /nfs/dbraw/zinc/68/52/49/1246685249.db2.gz QSQOTBRUOGWXBO-ZDUSSCGKSA-N 1 2 335.473 2.416 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1c3c[nH]nc3ccc1C)CO2 ZINC001053853808 1246912238 /nfs/dbraw/zinc/91/22/38/1246912238.db2.gz OHXAMHJINLZQND-AWEZNQCLSA-N 1 2 340.427 2.021 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(C)c3ccccc13)CO2 ZINC001053863933 1246930247 /nfs/dbraw/zinc/93/02/47/1246930247.db2.gz SOBPAIJQOHGHTA-HNNXBMFYSA-N 1 2 339.439 2.328 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1c(C)cc(C)cc1C)CO2 ZINC001053915930 1247010195 /nfs/dbraw/zinc/01/01/95/1247010195.db2.gz WIEYBYKJACPKIG-SFHVURJKSA-N 1 2 340.467 2.137 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3ccccc3C1)CO2 ZINC001053936981 1247034114 /nfs/dbraw/zinc/03/41/14/1247034114.db2.gz WXRBVHYWXOXPNH-RTBURBONSA-N 1 2 340.467 2.327 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1scnc1C(C)(C)C)CO2 ZINC001053949423 1247057656 /nfs/dbraw/zinc/05/76/56/1247057656.db2.gz HCISBXOEBRKTIW-ZDUSSCGKSA-N 1 2 347.484 2.037 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)c1ccc(C)cc1)CO2 ZINC001053985894 1247109226 /nfs/dbraw/zinc/10/92/26/1247109226.db2.gz CLDIIKBIEXLXKX-SJLPKXTDSA-N 1 2 326.440 2.081 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccsc1C(F)F)CO2 ZINC001053996896 1247127130 /nfs/dbraw/zinc/12/71/30/1247127130.db2.gz RDAROORWRGMKDJ-LLVKDONJSA-N 1 2 340.395 2.282 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3ncsc3c1)CO2 ZINC001053999178 1247129665 /nfs/dbraw/zinc/12/96/65/1247129665.db2.gz CNLKCAPUCODXED-CQSZACIVSA-N 1 2 343.452 2.446 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1oc3ccccc3c1C)CO2 ZINC001054001747 1247134434 /nfs/dbraw/zinc/13/44/34/1247134434.db2.gz JBDCXDSZKVQEAB-HNNXBMFYSA-N 1 2 338.407 2.338 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cn(C)nc1C1CC1 ZINC001054042608 1247208302 /nfs/dbraw/zinc/20/83/02/1247208302.db2.gz DBLPHDWAZXXXRS-SFHVURJKSA-N 1 2 348.450 2.087 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cn(C)nc1C1CC1 ZINC001054042608 1247208313 /nfs/dbraw/zinc/20/83/13/1247208313.db2.gz DBLPHDWAZXXXRS-SFHVURJKSA-N 1 2 348.450 2.087 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC001054046986 1247225882 /nfs/dbraw/zinc/22/58/82/1247225882.db2.gz UVVQVXMEXKXXFI-FPOVZHCZSA-N 1 2 346.430 2.166 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC001054046986 1247225895 /nfs/dbraw/zinc/22/58/95/1247225895.db2.gz UVVQVXMEXKXXFI-FPOVZHCZSA-N 1 2 346.430 2.166 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccnc(OCC)c1 ZINC001054052000 1247244242 /nfs/dbraw/zinc/24/42/42/1247244242.db2.gz MNEQHXIPMXOCJP-IBGZPJMESA-N 1 2 349.434 2.270 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccnc(OCC)c1 ZINC001054052000 1247244253 /nfs/dbraw/zinc/24/42/53/1247244253.db2.gz MNEQHXIPMXOCJP-IBGZPJMESA-N 1 2 349.434 2.270 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1c(C)n[nH]c1C ZINC001054056446 1247256448 /nfs/dbraw/zinc/25/64/48/1247256448.db2.gz HWMBVULMJFKHNG-SFHVURJKSA-N 1 2 336.439 2.207 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1c(C)n[nH]c1C ZINC001054056446 1247256457 /nfs/dbraw/zinc/25/64/57/1247256457.db2.gz HWMBVULMJFKHNG-SFHVURJKSA-N 1 2 336.439 2.207 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccc(OC)c1 ZINC001054059064 1247265243 /nfs/dbraw/zinc/26/52/43/1247265243.db2.gz FLUCOMRRGNXESI-LJQANCHMSA-N 1 2 334.419 2.485 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccc(OC)c1 ZINC001054059064 1247265255 /nfs/dbraw/zinc/26/52/55/1247265255.db2.gz FLUCOMRRGNXESI-LJQANCHMSA-N 1 2 334.419 2.485 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@H+](Cc2nncs2)CC1 ZINC001052444385 1247299599 /nfs/dbraw/zinc/29/95/99/1247299599.db2.gz FHUKNUVNGCGVGK-AWEZNQCLSA-N 1 2 345.472 2.310 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@@H+](Cc2nncs2)CC1 ZINC001052444385 1247299611 /nfs/dbraw/zinc/29/96/11/1247299611.db2.gz FHUKNUVNGCGVGK-AWEZNQCLSA-N 1 2 345.472 2.310 20 30 EEEDLO Cc1nc(N[C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)ccc1C#N ZINC001057771318 1247446885 /nfs/dbraw/zinc/44/68/85/1247446885.db2.gz ASJYGYAVLWMMKX-INIZCTEOSA-N 1 2 338.415 2.021 20 30 EEEDLO Cc1nc(N[C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)ccc1C#N ZINC001057771318 1247446887 /nfs/dbraw/zinc/44/68/87/1247446887.db2.gz ASJYGYAVLWMMKX-INIZCTEOSA-N 1 2 338.415 2.021 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ncnn3C)C2)C1 ZINC001054174857 1247610078 /nfs/dbraw/zinc/61/00/78/1247610078.db2.gz BMXAFHBKQAJCKE-IBGZPJMESA-N 1 2 345.491 2.232 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@]2(CC[N@H+](Cc3ncnn3C)C2)C1 ZINC001054174857 1247610084 /nfs/dbraw/zinc/61/00/84/1247610084.db2.gz BMXAFHBKQAJCKE-IBGZPJMESA-N 1 2 345.491 2.232 20 30 EEEDLO Cc1nc(N[C@H](C)[C@@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001058009861 1248262452 /nfs/dbraw/zinc/26/24/52/1248262452.db2.gz VSSKNRONRQICII-WBMJQRKESA-N 1 2 338.415 2.480 20 30 EEEDLO Cc1nsc(N[C@H]2C[C@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)c1C#N ZINC001069078150 1252194641 /nfs/dbraw/zinc/19/46/41/1252194641.db2.gz DNPYHUOORWCMIX-JQWIXIFHSA-N 1 2 344.444 2.080 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H]2C[C@@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)n1 ZINC001069221439 1252505749 /nfs/dbraw/zinc/50/57/49/1252505749.db2.gz OIIHEDVOUFTEHZ-CJNGLKHVSA-N 1 2 338.415 2.019 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H]2C[C@@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)n1 ZINC001069221439 1252505755 /nfs/dbraw/zinc/50/57/55/1252505755.db2.gz OIIHEDVOUFTEHZ-CJNGLKHVSA-N 1 2 338.415 2.019 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1ccc[nH]1)C[C@@H](C)O2 ZINC001071243307 1254086141 /nfs/dbraw/zinc/08/61/41/1254086141.db2.gz DMHFYUVHVLKPHN-RHSMWYFYSA-N 1 2 337.851 2.002 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1ccc[nH]1)C[C@@H](C)O2 ZINC001071243307 1254086150 /nfs/dbraw/zinc/08/61/50/1254086150.db2.gz DMHFYUVHVLKPHN-RHSMWYFYSA-N 1 2 337.851 2.002 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)Cc2ccc[nH]2)CC[C@@H]1C ZINC001072087703 1254922746 /nfs/dbraw/zinc/92/27/46/1254922746.db2.gz BGORTEIYHGVENX-GXTWGEPZSA-N 1 2 340.265 2.435 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)Cc2ccc[nH]2)CC[C@@H]1C ZINC001072087703 1254922754 /nfs/dbraw/zinc/92/27/54/1254922754.db2.gz BGORTEIYHGVENX-GXTWGEPZSA-N 1 2 340.265 2.435 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2c(C)nn3cccnc23)CC[C@@H]1C ZINC001072088208 1254923640 /nfs/dbraw/zinc/92/36/40/1254923640.db2.gz HVEXEPCGFMBHJE-JSGCOSHPSA-N 1 2 347.850 2.373 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2c(C)nn3cccnc23)CC[C@@H]1C ZINC001072088208 1254923650 /nfs/dbraw/zinc/92/36/50/1254923650.db2.gz HVEXEPCGFMBHJE-JSGCOSHPSA-N 1 2 347.850 2.373 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(P(C)(C)=O)cc2)CC[C@H]1C ZINC001072088258 1254925102 /nfs/dbraw/zinc/92/51/02/1254925102.db2.gz IOGYZZGNRWGJHF-ZBFHGGJFSA-N 1 2 332.384 2.151 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(P(C)(C)=O)cc2)CC[C@H]1C ZINC001072088258 1254925106 /nfs/dbraw/zinc/92/51/06/1254925106.db2.gz IOGYZZGNRWGJHF-ZBFHGGJFSA-N 1 2 332.384 2.151 20 30 EEEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc4cnccc4o3)C[C@H]21 ZINC001074286112 1256857395 /nfs/dbraw/zinc/85/73/95/1256857395.db2.gz LBHHIJRXFFVTKB-NVXWUHKLSA-N 1 2 341.411 2.319 20 30 EEEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc4cnccc4o3)C[C@H]21 ZINC001074286112 1256857411 /nfs/dbraw/zinc/85/74/11/1256857411.db2.gz LBHHIJRXFFVTKB-NVXWUHKLSA-N 1 2 341.411 2.319 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc(CC)cc3)C[C@H]21 ZINC001074347861 1256926301 /nfs/dbraw/zinc/92/63/01/1256926301.db2.gz CKNXYKITDXVFBG-UXHICEINSA-N 1 2 340.467 2.117 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc(CC)cc3)C[C@H]21 ZINC001074347861 1256926308 /nfs/dbraw/zinc/92/63/08/1256926308.db2.gz CKNXYKITDXVFBG-UXHICEINSA-N 1 2 340.467 2.117 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)COc3cccc(C)c3)C[C@H]21 ZINC001074403431 1256989836 /nfs/dbraw/zinc/98/98/36/1256989836.db2.gz WENPRPMBPVSRCW-MOPGFXCFSA-N 1 2 344.455 2.252 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)COc3cccc(C)c3)C[C@H]21 ZINC001074403431 1256989839 /nfs/dbraw/zinc/98/98/39/1256989839.db2.gz WENPRPMBPVSRCW-MOPGFXCFSA-N 1 2 344.455 2.252 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C[C@@H]21 ZINC001074403509 1256990292 /nfs/dbraw/zinc/99/02/92/1256990292.db2.gz XDHUDNQDOLFNRF-RBUKOAKNSA-N 1 2 337.423 2.107 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C[C@@H]21 ZINC001074403509 1256990296 /nfs/dbraw/zinc/99/02/96/1256990296.db2.gz XDHUDNQDOLFNRF-RBUKOAKNSA-N 1 2 337.423 2.107 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc4c3CCC4)C[C@H]21 ZINC001074415337 1257000096 /nfs/dbraw/zinc/00/00/96/1257000096.db2.gz PFANTIJPJCAHKI-UXHICEINSA-N 1 2 338.451 2.114 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc4c3CCC4)C[C@H]21 ZINC001074415337 1257000105 /nfs/dbraw/zinc/00/01/05/1257000105.db2.gz PFANTIJPJCAHKI-UXHICEINSA-N 1 2 338.451 2.114 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H](C)C2)CC1 ZINC001075159223 1257440848 /nfs/dbraw/zinc/44/08/48/1257440848.db2.gz XZURXDGWEOQKDU-CABCVRRESA-N 1 2 344.459 2.194 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H](CC)OC)CC2(CCOCC2)C1 ZINC001099567773 1258214898 /nfs/dbraw/zinc/21/48/98/1258214898.db2.gz NYIREBXIOIFURV-CABCVRRESA-N 1 2 344.883 2.151 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H](CC)OC)CC2(CCOCC2)C1 ZINC001099567773 1258214906 /nfs/dbraw/zinc/21/49/06/1258214906.db2.gz NYIREBXIOIFURV-CABCVRRESA-N 1 2 344.883 2.151 20 30 EEEDLO C=C1CCC(C(=O)NCC[C@@H](C)Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001099664991 1258271993 /nfs/dbraw/zinc/27/19/93/1258271993.db2.gz XZZCHFIQAYWWFN-CYBMUJFWSA-N 1 2 342.447 2.416 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](C)CCNC(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC001099726289 1258299255 /nfs/dbraw/zinc/29/92/55/1258299255.db2.gz BBZQYOZBSPTDJX-HUUCEWRRSA-N 1 2 340.431 2.416 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C[C@H]1O ZINC001099847699 1258416923 /nfs/dbraw/zinc/41/69/23/1258416923.db2.gz PDFKCOFJMOIPJB-ZWKOTPCHSA-N 1 2 347.434 2.041 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cn2)C[C@H]1O ZINC001099847699 1258416926 /nfs/dbraw/zinc/41/69/26/1258416926.db2.gz PDFKCOFJMOIPJB-ZWKOTPCHSA-N 1 2 347.434 2.041 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccncc2Cl)C[C@H]1O ZINC001099856223 1258423237 /nfs/dbraw/zinc/42/32/37/1258423237.db2.gz UGPSRUXJAIWDPF-JKSUJKDBSA-N 1 2 337.851 2.143 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccncc2Cl)C[C@H]1O ZINC001099856223 1258423243 /nfs/dbraw/zinc/42/32/43/1258423243.db2.gz UGPSRUXJAIWDPF-JKSUJKDBSA-N 1 2 337.851 2.143 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2ncc(C)s2)C[C@@H]1O ZINC001099946840 1258461343 /nfs/dbraw/zinc/46/13/43/1258461343.db2.gz MKGUZYVEIODIHM-KGLIPLIRSA-N 1 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CC(C)[C@H]1N(C[N@@H+](C)Cc2ccc(C#N)cc2)C(=O)[C@@]12CCCO2 ZINC000839959094 1315265112 /nfs/dbraw/zinc/26/51/12/1315265112.db2.gz JEMIELKKDFLZJR-IEBWSBKVSA-N 1 2 327.428 2.364 20 30 EEEDLO C=CCN1CCN(C[N@H+](C)CCc2nc(-c3ccccc3)no2)C1=O ZINC000840070585 1315286721 /nfs/dbraw/zinc/28/67/21/1315286721.db2.gz AQXZJVIGIQPKLE-UHFFFAOYSA-N 1 2 341.415 2.092 20 30 EEEDLO C=CCN1CCN(C[N@@H+](C)CCc2nc(-c3ccccc3)no2)C1=O ZINC000840070585 1315286724 /nfs/dbraw/zinc/28/67/24/1315286724.db2.gz AQXZJVIGIQPKLE-UHFFFAOYSA-N 1 2 341.415 2.092 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2ccc(C)cc2)C1 ZINC001149954814 1316103371 /nfs/dbraw/zinc/10/33/71/1316103371.db2.gz ZJDKDEVWWNEIQL-QGZVFWFLSA-N 1 2 336.863 2.497 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)Cc2ccc(C)cc2)C1 ZINC001149954814 1316103372 /nfs/dbraw/zinc/10/33/72/1316103372.db2.gz ZJDKDEVWWNEIQL-QGZVFWFLSA-N 1 2 336.863 2.497 20 30 EEEDLO CC(C)(C)c1nnc(C[NH2+]CCNC(=O)CC#Cc2ccccc2)o1 ZINC001151958149 1316614036 /nfs/dbraw/zinc/61/40/36/1316614036.db2.gz BWQIVMBVYXZGLW-UHFFFAOYSA-N 1 2 340.427 2.015 20 30 EEEDLO C=C[C@H](C(=O)NCC[NH2+]Cc1nn(C)cc1Cl)c1ccccc1 ZINC001151997350 1316618653 /nfs/dbraw/zinc/61/86/53/1316618653.db2.gz DHQAYDIAZOQLKC-AWEZNQCLSA-N 1 2 332.835 2.249 20 30 EEEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C[C@@H]1CCOC1 ZINC001152494174 1316680114 /nfs/dbraw/zinc/68/01/14/1316680114.db2.gz ZMWRIPMRTIZPMZ-CABCVRRESA-N 1 2 347.434 2.451 20 30 EEEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C[C@@H]1CCOC1 ZINC001152494174 1316680116 /nfs/dbraw/zinc/68/01/16/1316680116.db2.gz ZMWRIPMRTIZPMZ-CABCVRRESA-N 1 2 347.434 2.451 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 ZINC001152854983 1316734390 /nfs/dbraw/zinc/73/43/90/1316734390.db2.gz RFVJCBWFKOLTOI-LLVKDONJSA-N 1 2 339.237 2.235 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 ZINC001152854983 1316734392 /nfs/dbraw/zinc/73/43/92/1316734392.db2.gz RFVJCBWFKOLTOI-LLVKDONJSA-N 1 2 339.237 2.235 20 30 EEEDLO CC[N@H+](Cc1cn(CC2CC2)nn1)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153281800 1316803795 /nfs/dbraw/zinc/80/37/95/1316803795.db2.gz ZVDIBLHLRCMSSN-OAHLLOKOSA-N 1 2 345.491 2.064 20 30 EEEDLO CC[N@@H+](Cc1cn(CC2CC2)nn1)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153281800 1316803799 /nfs/dbraw/zinc/80/37/99/1316803799.db2.gz ZVDIBLHLRCMSSN-OAHLLOKOSA-N 1 2 345.491 2.064 20 30 EEEDLO C=CCOc1ccc(-c2noc([C@@H]([NH3+])CC[S@](C)=O)n2)c(F)c1 ZINC001249249021 1317033775 /nfs/dbraw/zinc/03/37/75/1317033775.db2.gz KJFKKDGUPUTCDU-NPMABZOXSA-N 1 2 339.392 2.209 20 30 EEEDLO COC(=O)[C@H]([NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1)[C@@H](C)O ZINC001254348490 1318049373 /nfs/dbraw/zinc/04/93/73/1318049373.db2.gz OSAANPIOUVGQGU-QAOTZJRISA-N 1 2 334.391 2.042 20 30 EEEDLO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@H]3SC(=O)C=C3C1)C2 ZINC001255202895 1318320520 /nfs/dbraw/zinc/32/05/20/1318320520.db2.gz CHVLCVKFWKZZLH-YJNKXOJESA-N 1 2 336.457 2.412 20 30 EEEDLO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H]3SC(=O)C=C3C1)C2 ZINC001255202895 1318320526 /nfs/dbraw/zinc/32/05/26/1318320526.db2.gz CHVLCVKFWKZZLH-YJNKXOJESA-N 1 2 336.457 2.412 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1coc(C2CC2)n1 ZINC001157217612 1318496529 /nfs/dbraw/zinc/49/65/29/1318496529.db2.gz TVPRGRYIAWNXNE-ZIAGYGMSSA-N 1 2 335.448 2.470 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1coc(C2CC2)n1 ZINC001157217612 1318496537 /nfs/dbraw/zinc/49/65/37/1318496537.db2.gz TVPRGRYIAWNXNE-ZIAGYGMSSA-N 1 2 335.448 2.470 20 30 EEEDLO CCn1nncc1C[N@H+](C)C[C@H]1CCCCN1C(=O)C#CC(C)(C)C ZINC001157964413 1318950323 /nfs/dbraw/zinc/95/03/23/1318950323.db2.gz APCMZOIGAHONRA-MRXNPFEDSA-N 1 2 345.491 2.160 20 30 EEEDLO CCn1nncc1C[N@@H+](C)C[C@H]1CCCCN1C(=O)C#CC(C)(C)C ZINC001157964413 1318950326 /nfs/dbraw/zinc/95/03/26/1318950326.db2.gz APCMZOIGAHONRA-MRXNPFEDSA-N 1 2 345.491 2.160 20 30 EEEDLO C=CCOC(=O)N[C@H]1CCCN(c2[nH+]ccc3[nH]cc(C#N)c32)C1 ZINC001158914393 1319505559 /nfs/dbraw/zinc/50/55/59/1319505559.db2.gz FNWWIFRZIXLPLB-ZDUSSCGKSA-N 1 2 325.372 2.316 20 30 EEEDLO COCCC(=O)NCCC1=CC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001159069165 1319591805 /nfs/dbraw/zinc/59/18/05/1319591805.db2.gz QCCKWNDGVHCVAR-UHFFFAOYSA-N 1 2 345.418 2.372 20 30 EEEDLO COCCC(=O)NCCC1=CC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001159069165 1319591815 /nfs/dbraw/zinc/59/18/15/1319591815.db2.gz QCCKWNDGVHCVAR-UHFFFAOYSA-N 1 2 345.418 2.372 20 30 EEEDLO C=CCOCCCC(=O)NCCC1=CC[N@H+](Cc2nccn2C)CC1 ZINC001159687426 1319950845 /nfs/dbraw/zinc/95/08/45/1319950845.db2.gz ZXZCHPSUFNQPBD-UHFFFAOYSA-N 1 2 346.475 2.041 20 30 EEEDLO C=CCOCCCC(=O)NCCC1=CC[N@@H+](Cc2nccn2C)CC1 ZINC001159687426 1319950848 /nfs/dbraw/zinc/95/08/48/1319950848.db2.gz ZXZCHPSUFNQPBD-UHFFFAOYSA-N 1 2 346.475 2.041 20 30 EEEDLO C[C@H](c1nncn1C)[N@H+]1CC=C(CCNC(=O)C#CC(C)(C)C)CC1 ZINC001160085023 1320067485 /nfs/dbraw/zinc/06/74/85/1320067485.db2.gz ZSDDVMRCSMTSCI-OAHLLOKOSA-N 1 2 343.475 2.064 20 30 EEEDLO C[C@H](c1nncn1C)[N@@H+]1CC=C(CCNC(=O)C#CC(C)(C)C)CC1 ZINC001160085023 1320067488 /nfs/dbraw/zinc/06/74/88/1320067488.db2.gz ZSDDVMRCSMTSCI-OAHLLOKOSA-N 1 2 343.475 2.064 20 30 EEEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1cc(C#N)c2ccccc2n1 ZINC001160695505 1320238175 /nfs/dbraw/zinc/23/81/75/1320238175.db2.gz FKBRQAGOLMWAOF-INIZCTEOSA-N 1 2 335.367 2.036 20 30 EEEDLO C#CCCCCCC(=O)NCCC1=CC[N@H+](Cc2cn(C)nn2)CC1 ZINC001160914943 1320312981 /nfs/dbraw/zinc/31/29/81/1320312981.db2.gz CYXPBXSGAAVDKJ-UHFFFAOYSA-N 1 2 343.475 2.037 20 30 EEEDLO C#CCCCCCC(=O)NCCC1=CC[N@@H+](Cc2cn(C)nn2)CC1 ZINC001160914943 1320312987 /nfs/dbraw/zinc/31/29/87/1320312987.db2.gz CYXPBXSGAAVDKJ-UHFFFAOYSA-N 1 2 343.475 2.037 20 30 EEEDLO C=CCCOCC(=O)NCCC1=CC[N@H+](Cc2ncc(CC)o2)CC1 ZINC001161977990 1320704471 /nfs/dbraw/zinc/70/44/71/1320704471.db2.gz JLJOFHUQFHYQRP-UHFFFAOYSA-N 1 2 347.459 2.468 20 30 EEEDLO C=CCCOCC(=O)NCCC1=CC[N@@H+](Cc2ncc(CC)o2)CC1 ZINC001161977990 1320704475 /nfs/dbraw/zinc/70/44/75/1320704475.db2.gz JLJOFHUQFHYQRP-UHFFFAOYSA-N 1 2 347.459 2.468 20 30 EEEDLO COC(=O)c1coc(=O)c(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)c1 ZINC001163680354 1321190779 /nfs/dbraw/zinc/19/07/79/1321190779.db2.gz PBFLRMWIJVZOLC-UHFFFAOYSA-N 1 2 340.257 2.482 20 30 EEEDLO N#Cc1c(F)ccnc1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC001163897029 1321241492 /nfs/dbraw/zinc/24/14/92/1321241492.db2.gz OYTBUKRIGPPPKO-UHFFFAOYSA-N 1 2 340.358 2.143 20 30 EEEDLO CC(C)C#CC(=O)NCCC1(C[NH2+]Cc2nnsc2Cl)CC1 ZINC001164464473 1321387795 /nfs/dbraw/zinc/38/77/95/1321387795.db2.gz VGTMSFZLUZGEID-UHFFFAOYSA-N 1 2 340.880 2.227 20 30 EEEDLO Cc1nc([C@@H](C)[NH2+]CC2(CCNC(=O)C#CC(C)(C)C)CC2)no1 ZINC001164482757 1321392119 /nfs/dbraw/zinc/39/21/19/1321392119.db2.gz INXKPYMXLZUHFT-CYBMUJFWSA-N 1 2 332.448 2.365 20 30 EEEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(O)c(OC)c1 ZINC001204116807 1322048154 /nfs/dbraw/zinc/04/81/54/1322048154.db2.gz SVWQKQISTQFZNB-MRXNPFEDSA-N 1 2 343.427 2.436 20 30 EEEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(O)c(OC)c1 ZINC001204116807 1322048159 /nfs/dbraw/zinc/04/81/59/1322048159.db2.gz SVWQKQISTQFZNB-MRXNPFEDSA-N 1 2 343.427 2.436 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001205493823 1323161344 /nfs/dbraw/zinc/16/13/44/1323161344.db2.gz UHGZGRMQLNMXIH-HZPDHXFCSA-N 1 2 349.406 2.157 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001205493823 1323161349 /nfs/dbraw/zinc/16/13/49/1323161349.db2.gz UHGZGRMQLNMXIH-HZPDHXFCSA-N 1 2 349.406 2.157 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2cccs2)C[C@H]1C ZINC001206544499 1323528579 /nfs/dbraw/zinc/52/85/79/1323528579.db2.gz JZTIHGFJBZMDII-RBSFLKMASA-N 1 2 349.500 2.328 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2cccs2)C[C@H]1C ZINC001206544499 1323528585 /nfs/dbraw/zinc/52/85/85/1323528585.db2.gz JZTIHGFJBZMDII-RBSFLKMASA-N 1 2 349.500 2.328 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)SC)C1 ZINC001206887683 1323669811 /nfs/dbraw/zinc/66/98/11/1323669811.db2.gz XKNDMJMJTCEYSB-YUSALJHKSA-N 1 2 335.311 2.473 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)SC)C1 ZINC001206887683 1323669818 /nfs/dbraw/zinc/66/98/18/1323669818.db2.gz XKNDMJMJTCEYSB-YUSALJHKSA-N 1 2 335.311 2.473 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)COc1cccnc1 ZINC001316604620 1324313592 /nfs/dbraw/zinc/31/35/92/1324313592.db2.gz TYPZITNJXOZPNM-LJQANCHMSA-N 1 2 349.434 2.045 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)COc1cccnc1 ZINC001316604620 1324313597 /nfs/dbraw/zinc/31/35/97/1324313597.db2.gz TYPZITNJXOZPNM-LJQANCHMSA-N 1 2 349.434 2.045 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](OC)C2CCC2)C1 ZINC001208221166 1324364913 /nfs/dbraw/zinc/36/49/13/1324364913.db2.gz XDYASCAXXBOZHL-HONMWMINSA-N 1 2 345.281 2.147 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](OC)C2CCC2)C1 ZINC001208221166 1324364919 /nfs/dbraw/zinc/36/49/19/1324364919.db2.gz XDYASCAXXBOZHL-HONMWMINSA-N 1 2 345.281 2.147 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC001294848047 1329169810 /nfs/dbraw/zinc/16/98/10/1329169810.db2.gz MGUPNGMJZSWXPQ-GFCCVEGCSA-N 1 2 334.383 2.166 20 30 EEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC001294848047 1329169812 /nfs/dbraw/zinc/16/98/12/1329169812.db2.gz MGUPNGMJZSWXPQ-GFCCVEGCSA-N 1 2 334.383 2.166 20 30 EEEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)c(O)c(OC)c2)C1 ZINC001209536777 1324960511 /nfs/dbraw/zinc/96/05/11/1324960511.db2.gz FSRJLKLYLBKAKE-CYBMUJFWSA-N 1 2 338.379 2.417 20 30 EEEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)c(O)c(OC)c2)C1 ZINC001209536777 1324960514 /nfs/dbraw/zinc/96/05/14/1324960514.db2.gz FSRJLKLYLBKAKE-CYBMUJFWSA-N 1 2 338.379 2.417 20 30 EEEDLO C#CCN(CC)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1CC(C)C ZINC001344125340 1337366195 /nfs/dbraw/zinc/36/61/95/1337366195.db2.gz NULZHLAVDKNPGU-MRXNPFEDSA-N 1 2 333.480 2.175 20 30 EEEDLO C#CCN(CC)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1CC(C)C ZINC001344125340 1337366198 /nfs/dbraw/zinc/36/61/98/1337366198.db2.gz NULZHLAVDKNPGU-MRXNPFEDSA-N 1 2 333.480 2.175 20 30 EEEDLO C[C@@H](c1cccc(C#N)c1)N(C)c1nnc(Cc2[nH+]ccn2C)n1C ZINC001350424624 1337709271 /nfs/dbraw/zinc/70/92/71/1337709271.db2.gz QDONMBNACSUMLF-ZDUSSCGKSA-N 1 2 335.415 2.208 20 30 EEEDLO CN(CCNC(=O)c1cccc2[nH+]ccn21)c1cccc(F)c1C#N ZINC001100226211 1338180457 /nfs/dbraw/zinc/18/04/57/1338180457.db2.gz LPHJSEUGSITTIE-UHFFFAOYSA-N 1 2 337.358 2.211 20 30 EEEDLO C#CCN(C)c1nnc([C@@H](C)[N@H+](C)Cc2ccccc2)n1CCOC ZINC001355709461 1338743832 /nfs/dbraw/zinc/74/38/32/1338743832.db2.gz WHYPFRQLJODMPF-MRXNPFEDSA-N 1 2 341.459 2.187 20 30 EEEDLO C#CCN(C)c1nnc([C@@H](C)[N@@H+](C)Cc2ccccc2)n1CCOC ZINC001355709461 1338743833 /nfs/dbraw/zinc/74/38/33/1338743833.db2.gz WHYPFRQLJODMPF-MRXNPFEDSA-N 1 2 341.459 2.187 20 30 EEEDLO Cn1cc(C[N@@H+]2CCC[C@H](C#N)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC001592573829 1349660716 /nfs/dbraw/zinc/66/07/16/1349660716.db2.gz UZBGVAGAZFCOMM-CYBMUJFWSA-N 1 2 348.414 2.003 20 30 EEEDLO Cn1cc(C[N@H+]2CCC[C@H](C#N)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC001592573829 1349660730 /nfs/dbraw/zinc/66/07/30/1349660730.db2.gz UZBGVAGAZFCOMM-CYBMUJFWSA-N 1 2 348.414 2.003 20 30 EEEDLO N#Cc1cccc(-c2cc(C(=O)N3CCc4cc[nH+]c(N)c4C3)on2)c1 ZINC001648428037 1353429550 /nfs/dbraw/zinc/42/95/50/1353429550.db2.gz QJHARWLMGMLEIN-UHFFFAOYSA-N 1 2 345.362 2.389 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2csc(C)n2)C1 ZINC001073741862 1367058921 /nfs/dbraw/zinc/05/89/21/1367058921.db2.gz YNTWMJOAEBNFCT-GFCCVEGCSA-N 1 2 329.853 2.025 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2csc(C)n2)C1 ZINC001073741862 1367058927 /nfs/dbraw/zinc/05/89/27/1367058927.db2.gz YNTWMJOAEBNFCT-GFCCVEGCSA-N 1 2 329.853 2.025 20 30 EEEDLO C=CCCC(=O)N1CCC[N@H+](CC(=O)NC2CCCCCC2)CC1 ZINC001195233437 1368507017 /nfs/dbraw/zinc/50/70/17/1368507017.db2.gz VKZZRIBLASRWOD-UHFFFAOYSA-N 1 2 335.492 2.326 20 30 EEEDLO C=CCCC(=O)N1CCC[N@@H+](CC(=O)NC2CCCCCC2)CC1 ZINC001195233437 1368507021 /nfs/dbraw/zinc/50/70/21/1368507021.db2.gz VKZZRIBLASRWOD-UHFFFAOYSA-N 1 2 335.492 2.326 20 30 EEEDLO C#CCN(C(=O)[C@@H]1C[C@H]1C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001110616098 1369231763 /nfs/dbraw/zinc/23/17/63/1369231763.db2.gz UQDUZARLXRHKHM-FZKQIMNGSA-N 1 2 340.471 2.488 20 30 EEEDLO Cc1cc(N2C[C@@H](F)[C@@H](F)C2)c(C#N)c(N2C[C@@H](F)[C@@H](F)C2)[nH+]1 ZINC000853658800 1369364854 /nfs/dbraw/zinc/36/48/54/1369364854.db2.gz MGVZSCSHTGRRCL-MPZDIEGVSA-N 1 2 328.313 2.254 20 30 EEEDLO C[C@@H](CN1C(=O)COCC12C[NH+](CCCC#N)C2)c1ccccc1 ZINC001274037903 1369711870 /nfs/dbraw/zinc/71/18/70/1369711870.db2.gz ADFIFFMQCZHJHB-INIZCTEOSA-N 1 2 327.428 2.007 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2cocn2)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC001071388350 1370496517 /nfs/dbraw/zinc/49/65/17/1370496517.db2.gz DVMNHKLWZYNPQD-IUODEOHRSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2cocn2)C[N@H+]1Cc1ccc(C#N)cc1F ZINC001071388350 1370496522 /nfs/dbraw/zinc/49/65/22/1370496522.db2.gz DVMNHKLWZYNPQD-IUODEOHRSA-N 1 2 342.374 2.468 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cn(C)nc2Cl)CC[C@H]1C ZINC001071987775 1370594292 /nfs/dbraw/zinc/59/42/92/1370594292.db2.gz FSRLKWRCAMTTPF-GHMZBOCLSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cn(C)nc2Cl)CC[C@H]1C ZINC001071987775 1370594298 /nfs/dbraw/zinc/59/42/98/1370594298.db2.gz FSRLKWRCAMTTPF-GHMZBOCLSA-N 1 2 331.247 2.409 20 30 EEEDLO CCc1noc([C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)n1 ZINC001111741560 1371237247 /nfs/dbraw/zinc/23/72/47/1371237247.db2.gz FIEIPGFKPGANQP-WTANOLMUSA-N 1 2 342.443 2.077 20 30 EEEDLO CCc1noc([C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)n1 ZINC001111741560 1371237249 /nfs/dbraw/zinc/23/72/49/1371237249.db2.gz FIEIPGFKPGANQP-WTANOLMUSA-N 1 2 342.443 2.077 20 30 EEEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1nncn1C)C2 ZINC001111765130 1371248447 /nfs/dbraw/zinc/24/84/47/1371248447.db2.gz VMUISAQXSGMQKL-MPGHIAIKSA-N 1 2 331.464 2.203 20 30 EEEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1nncn1C)C2 ZINC001111765130 1371248450 /nfs/dbraw/zinc/24/84/50/1371248450.db2.gz VMUISAQXSGMQKL-MPGHIAIKSA-N 1 2 331.464 2.203 20 30 EEEDLO C=CCC1(C(=O)N2CCO[C@@H](CNc3cc[nH+]c(C)n3)C2)CCC1 ZINC001111961510 1371335311 /nfs/dbraw/zinc/33/53/11/1371335311.db2.gz AWNIRBLTJSERFH-HNNXBMFYSA-N 1 2 330.432 2.171 20 30 EEEDLO C#CCOCCC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000799426268 1371654354 /nfs/dbraw/zinc/65/43/54/1371654354.db2.gz YXDSHOWEUSWLJT-QGZVFWFLSA-N 1 2 344.455 2.158 20 30 EEEDLO C#CCOCCC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000799426268 1371654356 /nfs/dbraw/zinc/65/43/56/1371654356.db2.gz YXDSHOWEUSWLJT-QGZVFWFLSA-N 1 2 344.455 2.158 20 30 EEEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)C[C@@H](C)C#N ZINC001121584025 1371902015 /nfs/dbraw/zinc/90/20/15/1371902015.db2.gz DJMZTBPEOWUFEO-HNNXBMFYSA-N 1 2 341.463 2.153 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2cc(F)cc(C#N)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001139879170 1372532656 /nfs/dbraw/zinc/53/26/56/1372532656.db2.gz GGYJQTASOFGVMQ-JKSUJKDBSA-N 1 2 349.406 2.421 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2cc(F)cc(C#N)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001139879170 1372532658 /nfs/dbraw/zinc/53/26/58/1372532658.db2.gz GGYJQTASOFGVMQ-JKSUJKDBSA-N 1 2 349.406 2.421 20 30 EEEDLO Cc1oc(-c2cccs2)nc1C[N@@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001366521497 1373933681 /nfs/dbraw/zinc/93/36/81/1373933681.db2.gz UGMMQSHFXKFUCF-NSHDSACASA-N 1 2 332.429 2.419 20 30 EEEDLO Cc1oc(-c2cccs2)nc1C[N@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001366521497 1373933696 /nfs/dbraw/zinc/93/36/96/1373933696.db2.gz UGMMQSHFXKFUCF-NSHDSACASA-N 1 2 332.429 2.419 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](C)Oc2ccccc2F)C1 ZINC001366966421 1374073481 /nfs/dbraw/zinc/07/34/81/1374073481.db2.gz IHMJCBTWDWJSFM-GFCCVEGCSA-N 1 2 326.799 2.394 20 30 EEEDLO Cc1ncc(C(=O)NCC[N@H+](Cc2cc(C#N)ccc2F)C2CC2)[nH]1 ZINC001377521011 1379328030 /nfs/dbraw/zinc/32/80/30/1379328030.db2.gz WXZVYRFGVXIEFY-UHFFFAOYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1ncc(C(=O)NCC[N@@H+](Cc2cc(C#N)ccc2F)C2CC2)[nH]1 ZINC001377521011 1379328040 /nfs/dbraw/zinc/32/80/40/1379328040.db2.gz WXZVYRFGVXIEFY-UHFFFAOYSA-N 1 2 341.390 2.123 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cn2ncc3ccccc32)C1 ZINC001378552363 1380063460 /nfs/dbraw/zinc/06/34/60/1380063460.db2.gz GZJMBWVLEWZKEQ-ZDUSSCGKSA-N 1 2 332.835 2.225 20 30 EEEDLO C=CC(C)(C)C(=O)NCCCN1CC[NH+](Cc2cnccc2C)CC1 ZINC001752348545 1406277170 /nfs/dbraw/zinc/27/71/70/1406277170.db2.gz ANGDDOBKIRTJIY-UHFFFAOYSA-N 1 2 344.503 2.226 20 30 EEEDLO Cc1nnc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C(=O)C#CC(C)C)C2)s1 ZINC001752708008 1406357215 /nfs/dbraw/zinc/35/72/15/1406357215.db2.gz YKXCYJMQEDCTCI-CVEARBPZSA-N 1 2 346.500 2.319 20 30 EEEDLO Cc1nnc(C[N@H+]2CC[C@H]3[C@H](CCCN3C(=O)C#CC(C)C)C2)s1 ZINC001752708008 1406357222 /nfs/dbraw/zinc/35/72/22/1406357222.db2.gz YKXCYJMQEDCTCI-CVEARBPZSA-N 1 2 346.500 2.319 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cccc(C(N)=O)c2)C1 ZINC001391271843 1389186814 /nfs/dbraw/zinc/18/68/14/1389186814.db2.gz IFUXRCIXFKMGFA-INIZCTEOSA-N 1 2 349.862 2.465 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cccc(C(N)=O)c2)C1 ZINC001391271843 1389186817 /nfs/dbraw/zinc/18/68/17/1389186817.db2.gz IFUXRCIXFKMGFA-INIZCTEOSA-N 1 2 349.862 2.465 20 30 EEEDLO Cc1oc(-c2ccccc2)nc1C[NH+]1CC(CNC(=O)[C@@H](C)C#N)C1 ZINC001391470543 1389380709 /nfs/dbraw/zinc/38/07/09/1389380709.db2.gz BOEGAFCQUMMHLY-ZDUSSCGKSA-N 1 2 338.411 2.358 20 30 EEEDLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001752818574 1406440157 /nfs/dbraw/zinc/44/01/57/1406440157.db2.gz FZWRIHZJSWNFIS-IRXDYDNUSA-N 1 2 349.519 2.167 20 30 EEEDLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001752818574 1406440158 /nfs/dbraw/zinc/44/01/58/1406440158.db2.gz FZWRIHZJSWNFIS-IRXDYDNUSA-N 1 2 349.519 2.167 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2sc(C)nc2C)C1 ZINC001394262631 1390664243 /nfs/dbraw/zinc/66/42/43/1390664243.db2.gz ROOODTDVRRXAEL-SNVBAGLBSA-N 1 2 327.881 2.491 20 30 EEEDLO CCn1ncc(C[N@@H+]2CCC[C@@H]([C@@H](C)NC(=O)C#CC(C)(C)C)C2)n1 ZINC001752837663 1406468801 /nfs/dbraw/zinc/46/88/01/1406468801.db2.gz WESUGUZGTUDDPN-HZPDHXFCSA-N 1 2 345.491 2.064 20 30 EEEDLO CCn1ncc(C[N@H+]2CCC[C@@H]([C@@H](C)NC(=O)C#CC(C)(C)C)C2)n1 ZINC001752837663 1406468803 /nfs/dbraw/zinc/46/88/03/1406468803.db2.gz WESUGUZGTUDDPN-HZPDHXFCSA-N 1 2 345.491 2.064 20 30 EEEDLO C=CCCCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2ncnn2CC)C1 ZINC001752842670 1406475601 /nfs/dbraw/zinc/47/56/01/1406475601.db2.gz ZLWOSVNWGZVFKP-JKSUJKDBSA-N 1 2 333.480 2.371 20 30 EEEDLO C=CCCCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2ncnn2CC)C1 ZINC001752842670 1406475606 /nfs/dbraw/zinc/47/56/06/1406475606.db2.gz ZLWOSVNWGZVFKP-JKSUJKDBSA-N 1 2 333.480 2.371 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCc2nc(CCC)no2)C1 ZINC001398350283 1392243033 /nfs/dbraw/zinc/24/30/33/1392243033.db2.gz DZQXNNPHFRJGHE-CYBMUJFWSA-N 1 2 340.855 2.288 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCc2nc(CCC)no2)C1 ZINC001398350283 1392243037 /nfs/dbraw/zinc/24/30/37/1392243037.db2.gz DZQXNNPHFRJGHE-CYBMUJFWSA-N 1 2 340.855 2.288 20 30 EEEDLO CCN(C(=O)C#CC1CC1)[C@@H]1CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC001753455007 1406748568 /nfs/dbraw/zinc/74/85/68/1406748568.db2.gz FIOPOZGGIVXHRI-MRXNPFEDSA-N 1 2 341.455 2.390 20 30 EEEDLO CCN(C(=O)C#CC1CC1)[C@@H]1CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001753455007 1406748575 /nfs/dbraw/zinc/74/85/75/1406748575.db2.gz FIOPOZGGIVXHRI-MRXNPFEDSA-N 1 2 341.455 2.390 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cccc(NC(N)=O)c1)C1CC1 ZINC001400039112 1395845741 /nfs/dbraw/zinc/84/57/41/1395845741.db2.gz AJKUDJBIYGQSRQ-UHFFFAOYSA-N 1 2 336.823 2.124 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cccc(NC(N)=O)c1)C1CC1 ZINC001400039112 1395845745 /nfs/dbraw/zinc/84/57/45/1395845745.db2.gz AJKUDJBIYGQSRQ-UHFFFAOYSA-N 1 2 336.823 2.124 20 30 EEEDLO O=C(C#CC1CC1)NC[C@H]1COCC[N@@H+]1CC/C=C\c1ccccc1 ZINC001754967657 1407012992 /nfs/dbraw/zinc/01/29/92/1407012992.db2.gz MHKBWXOFVDDABE-CWWFIGIMSA-N 1 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C#CCC1(C(=O)NCC[NH2+][C@H](C)c2nnc(CC(C)C)o2)CCC1 ZINC001129125087 784101596 /nfs/dbraw/zinc/10/15/96/784101596.db2.gz LSCLIBPOUVBWJL-CQSZACIVSA-N 1 2 332.448 2.229 20 30 EEEDLO CCc1ccc(C#CC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000816522734 784115825 /nfs/dbraw/zinc/11/58/25/784115825.db2.gz LVYCIGQITJBZLN-UHFFFAOYSA-N 1 2 328.456 2.170 20 30 EEEDLO CCc1ccc(C#CC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC000816522734 784115827 /nfs/dbraw/zinc/11/58/27/784115827.db2.gz LVYCIGQITJBZLN-UHFFFAOYSA-N 1 2 328.456 2.170 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001035396821 784441308 /nfs/dbraw/zinc/44/13/08/784441308.db2.gz TURXYRDYNXCGAT-QZTJIDSGSA-N 1 2 344.455 2.118 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001035396821 784441312 /nfs/dbraw/zinc/44/13/12/784441312.db2.gz TURXYRDYNXCGAT-QZTJIDSGSA-N 1 2 344.455 2.118 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCN(C)c3ccccc32)C1 ZINC001035397078 784443119 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/nfs/dbraw/zinc/68/28/80/786682880.db2.gz GTKGSFDWWSTIBB-KBPBESRZSA-N 1 2 349.406 2.068 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCCO[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001090580969 787049528 /nfs/dbraw/zinc/04/95/28/787049528.db2.gz QHRUGNPLNBFGRE-CVEARBPZSA-N 1 2 332.448 2.417 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CCC(F)(F)CC2)[C@H](O)C1 ZINC001090598571 787188419 /nfs/dbraw/zinc/18/84/19/787188419.db2.gz YAKGUDWKINOMEV-CHWSQXEVSA-N 1 2 336.810 2.116 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CCC(F)(F)CC2)[C@H](O)C1 ZINC001090598571 787188421 /nfs/dbraw/zinc/18/84/21/787188421.db2.gz YAKGUDWKINOMEV-CHWSQXEVSA-N 1 2 336.810 2.116 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cs2)[C@@H](O)C1 ZINC001090610834 787290990 /nfs/dbraw/zinc/29/09/90/787290990.db2.gz VRRXSRTYZBBENP-QWRGUYRKSA-N 1 2 335.256 2.319 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(Cl)cs2)[C@@H](O)C1 ZINC001090610834 787291001 /nfs/dbraw/zinc/29/10/01/787291001.db2.gz VRRXSRTYZBBENP-QWRGUYRKSA-N 1 2 335.256 2.319 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ZINC001107818562 788563591 /nfs/dbraw/zinc/56/35/91/788563591.db2.gz BTRQSVZFVVLVAB-LIRRHRJNSA-N 1 2 341.411 2.300 20 30 EEEDLO C[C@@H](C#N)C(=O)NC[C@@]1(C)C[N@@H+](Cc2cc3ccccc3o2)CCO1 ZINC001107818562 788563597 /nfs/dbraw/zinc/56/35/97/788563597.db2.gz BTRQSVZFVVLVAB-LIRRHRJNSA-N 1 2 341.411 2.300 20 30 EEEDLO N#Cc1ccc(NC(=O)[C@H]2[C@H](O)CC[N@@H+]2Cc2ccccc2)c(C#N)c1 ZINC001143678336 788737998 /nfs/dbraw/zinc/73/79/98/788737998.db2.gz UDIYEVCQZNFVPW-RTBURBONSA-N 1 2 346.390 2.004 20 30 EEEDLO N#Cc1ccc(NC(=O)[C@H]2[C@H](O)CC[N@H+]2Cc2ccccc2)c(C#N)c1 ZINC001143678336 788738002 /nfs/dbraw/zinc/73/80/02/788738002.db2.gz UDIYEVCQZNFVPW-RTBURBONSA-N 1 2 346.390 2.004 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060794974 788967806 /nfs/dbraw/zinc/96/78/06/788967806.db2.gz CQBYERYVZFXLOC-DOXZYTNZSA-N 1 2 346.475 2.346 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)Cc3cncs3)C2)c1 ZINC001014841853 788970092 /nfs/dbraw/zinc/97/00/92/788970092.db2.gz WHKZNBGIGZDHRV-AWEZNQCLSA-N 1 2 344.415 2.087 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)Cc3cncs3)C2)c1 ZINC001014841853 788970099 /nfs/dbraw/zinc/97/00/99/788970099.db2.gz WHKZNBGIGZDHRV-AWEZNQCLSA-N 1 2 344.415 2.087 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccccc2-n2cccc2)C1 ZINC001108180861 789572750 /nfs/dbraw/zinc/57/27/50/789572750.db2.gz QDGDLCNPRAHSOT-FQEVSTJZSA-N 1 2 339.439 2.484 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccccc2-n2cccc2)C1 ZINC001108180861 789572757 /nfs/dbraw/zinc/57/27/57/789572757.db2.gz QDGDLCNPRAHSOT-FQEVSTJZSA-N 1 2 339.439 2.484 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ncccc1C ZINC001032447709 789778943 /nfs/dbraw/zinc/77/89/43/789778943.db2.gz UYFCDDISCXYKQA-IRXDYDNUSA-N 1 2 336.439 2.476 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ncccc1C ZINC001032447709 789778949 /nfs/dbraw/zinc/77/89/49/789778949.db2.gz UYFCDDISCXYKQA-IRXDYDNUSA-N 1 2 336.439 2.476 20 30 EEEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)C[C@@H](C)CCC)CC2 ZINC001127958663 789780371 /nfs/dbraw/zinc/78/03/71/789780371.db2.gz IMDSEOYBLBHIEM-HOTGVXAUSA-N 1 2 345.491 2.038 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)cn1 ZINC001062959371 790065018 /nfs/dbraw/zinc/06/50/18/790065018.db2.gz WHTRIPZGAMLQEQ-GOSISDBHSA-N 1 2 349.438 2.129 20 30 EEEDLO C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccc(C#N)nc1)n1cc[nH+]c1 ZINC001063566700 791334293 /nfs/dbraw/zinc/33/42/93/791334293.db2.gz FNFVUSXJFCQBPN-RHSMWYFYSA-N 1 2 338.415 2.204 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2-c2cccnc2)[C@H]1C ZINC001088925453 791561815 /nfs/dbraw/zinc/56/18/15/791561815.db2.gz ZUXMULBLRYAVOY-DOMZBBRYSA-N 1 2 345.834 2.417 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2-c2cccnc2)[C@H]1C ZINC001088925453 791561822 /nfs/dbraw/zinc/56/18/22/791561822.db2.gz ZUXMULBLRYAVOY-DOMZBBRYSA-N 1 2 345.834 2.417 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1cscn1)C2 ZINC001147132004 791724915 /nfs/dbraw/zinc/72/49/15/791724915.db2.gz LHOOXWLOIIGCFT-CQSZACIVSA-N 1 2 335.473 2.159 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1cscn1)C2 ZINC001147132004 791724918 /nfs/dbraw/zinc/72/49/18/791724918.db2.gz LHOOXWLOIIGCFT-CQSZACIVSA-N 1 2 335.473 2.159 20 30 EEEDLO N#Cc1ccc(NCC[C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001063838382 791814030 /nfs/dbraw/zinc/81/40/30/791814030.db2.gz ZIXUBTJVUKVSFQ-MRXNPFEDSA-N 1 2 338.415 2.102 20 30 EEEDLO N#Cc1ccc(NCC[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)cn1 ZINC001063850735 791832215 /nfs/dbraw/zinc/83/22/15/791832215.db2.gz SNACDQGFGFXQIG-KRWDZBQOSA-N 1 2 338.415 2.102 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC1(NC(=O)CCn2cc[nH+]c2)CCC1 ZINC001063896226 791900655 /nfs/dbraw/zinc/90/06/55/791900655.db2.gz DVZBCUKLVSWQAF-UHFFFAOYSA-N 1 2 332.448 2.031 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001063897621 791902335 /nfs/dbraw/zinc/90/23/35/791902335.db2.gz SJNGJZMBWSFSDO-ZIAGYGMSSA-N 1 2 344.459 2.271 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001063897621 791902339 /nfs/dbraw/zinc/90/23/39/791902339.db2.gz SJNGJZMBWSFSDO-ZIAGYGMSSA-N 1 2 344.459 2.271 20 30 EEEDLO CCc1ccc(N2CC[NH+](CC(=O)N(CC)C[C@@H](C)C#N)CC2)cc1 ZINC000173852493 791912968 /nfs/dbraw/zinc/91/29/68/791912968.db2.gz ULLNYKQJGJEENH-KRWDZBQOSA-N 1 2 342.487 2.379 20 30 EEEDLO CCO[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1CNc1cc[nH+]c(C)n1 ZINC001091665414 791993772 /nfs/dbraw/zinc/99/37/72/791993772.db2.gz IRANMGJEAZQCDS-HZPDHXFCSA-N 1 2 344.459 2.110 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO[C@H]2CC2(F)F)CC1 ZINC001032606512 792160035 /nfs/dbraw/zinc/16/00/35/792160035.db2.gz VQKVZHIOMXMMJW-JYJNAYRXSA-N 1 2 340.414 2.442 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO[C@H]2CC2(F)F)CC1 ZINC001032606512 792160042 /nfs/dbraw/zinc/16/00/42/792160042.db2.gz VQKVZHIOMXMMJW-JYJNAYRXSA-N 1 2 340.414 2.442 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1nccc(C)n1)C2 ZINC001148130141 792206226 /nfs/dbraw/zinc/20/62/26/792206226.db2.gz LCHZMFKTMFBQFT-INIZCTEOSA-N 1 2 328.460 2.422 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1nccc(C)n1)C2 ZINC001148130141 792206233 /nfs/dbraw/zinc/20/62/33/792206233.db2.gz LCHZMFKTMFBQFT-INIZCTEOSA-N 1 2 328.460 2.422 20 30 EEEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2nonc2C)C3)CC1 ZINC001148262252 792289075 /nfs/dbraw/zinc/28/90/75/792289075.db2.gz ILEUFFSJSVWDIF-UHFFFAOYSA-N 1 2 330.432 2.159 20 30 EEEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2nonc2C)C3)CC1 ZINC001148262252 792289085 /nfs/dbraw/zinc/28/90/85/792289085.db2.gz ILEUFFSJSVWDIF-UHFFFAOYSA-N 1 2 330.432 2.159 20 30 EEEDLO C=CC[N@@H+]1CC[C@@]2(NC(=O)c3cccc(-c4nnc[nH]4)c3)CCC[C@H]12 ZINC000992107212 792734554 /nfs/dbraw/zinc/73/45/54/792734554.db2.gz JUBVMLDBFWMJIV-LPHOPBHVSA-N 1 2 337.427 2.385 20 30 EEEDLO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(-c4nnc[nH]4)c3)CCC[C@H]12 ZINC000992107212 792734563 /nfs/dbraw/zinc/73/45/63/792734563.db2.gz JUBVMLDBFWMJIV-LPHOPBHVSA-N 1 2 337.427 2.385 20 30 EEEDLO C=CCCC1(C(=O)NCC2(NC(=O)CCc3c[nH]c[nH+]3)CCC2)CC1 ZINC001064397663 793033343 /nfs/dbraw/zinc/03/33/43/793033343.db2.gz SGTHDWGDMCXGEV-UHFFFAOYSA-N 1 2 344.459 2.244 20 30 EEEDLO C=CCCC1(C(=O)NCC2(NC(=O)CCc3c[nH+]c[nH]3)CCC2)CC1 ZINC001064397663 793033353 /nfs/dbraw/zinc/03/33/53/793033353.db2.gz SGTHDWGDMCXGEV-UHFFFAOYSA-N 1 2 344.459 2.244 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC1(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001064400076 793038593 /nfs/dbraw/zinc/03/85/93/793038593.db2.gz RESCOYIDFIRAOG-KDOFPFPSSA-N 1 2 346.475 2.346 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC1(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001064400076 793038606 /nfs/dbraw/zinc/03/86/06/793038606.db2.gz RESCOYIDFIRAOG-KDOFPFPSSA-N 1 2 346.475 2.346 20 30 EEEDLO Cc1nc(N[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)ccc1C#N ZINC001098302331 793212218 /nfs/dbraw/zinc/21/22/18/793212218.db2.gz IZOJJDWGTRLJQF-QWHCGFSZSA-N 1 2 326.404 2.026 20 30 EEEDLO Cc1nc(N[C@@H]2CCCCCN(C(=O)CSCC#N)C2)cc[nH+]1 ZINC001091915618 793401646 /nfs/dbraw/zinc/40/16/46/793401646.db2.gz MDZNSYBZWOBBHK-CQSZACIVSA-N 1 2 333.461 2.225 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2c(C)cccc2C)[C@H](O)C1 ZINC001090299176 793597282 /nfs/dbraw/zinc/59/72/82/793597282.db2.gz AICZLQYOPFFCHN-DLBZAZTESA-N 1 2 336.863 2.150 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2c(C)cccc2C)[C@H](O)C1 ZINC001090299176 793597286 /nfs/dbraw/zinc/59/72/86/793597286.db2.gz AICZLQYOPFFCHN-DLBZAZTESA-N 1 2 336.863 2.150 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2sc(C)cc2C)[C@H](O)C1 ZINC001090298726 793605165 /nfs/dbraw/zinc/60/51/65/793605165.db2.gz RSGWGVWDGLUTTQ-QWHCGFSZSA-N 1 2 328.865 2.282 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2sc(C)cc2C)[C@H](O)C1 ZINC001090298726 793605171 /nfs/dbraw/zinc/60/51/71/793605171.db2.gz RSGWGVWDGLUTTQ-QWHCGFSZSA-N 1 2 328.865 2.282 20 30 EEEDLO N#Cc1c(F)cccc1NC1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001092213186 793675484 /nfs/dbraw/zinc/67/54/84/793675484.db2.gz WRKJTGPJLWMXTR-UHFFFAOYSA-N 1 2 341.390 2.360 20 30 EEEDLO C[C@@H]1C[C@@H](Nc2cccc(F)c2C#N)CCN1C(=O)Cn1cc[nH+]c1 ZINC001064786084 793731175 /nfs/dbraw/zinc/73/11/75/793731175.db2.gz WORINMGGWLBWHJ-KGLIPLIRSA-N 1 2 341.390 2.385 20 30 EEEDLO Cc1nsc(N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)c1C#N ZINC001064793912 793774926 /nfs/dbraw/zinc/77/49/26/793774926.db2.gz ZCBLQWRRZKMQFE-PWSUYJOCSA-N 1 2 344.444 2.080 20 30 EEEDLO N#CCN1CC[C@@]2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@@H]12 ZINC000992361943 793808744 /nfs/dbraw/zinc/80/87/44/793808744.db2.gz HYENXMBZHBIKHS-MJGOQNOKSA-N 1 2 335.411 2.123 20 30 EEEDLO C=CCCCC(=O)N[C@@H](CNc1ncnc2c1C[N@H+](C)CC2)C1CC1 ZINC001109962556 806285566 /nfs/dbraw/zinc/28/55/66/806285566.db2.gz VAKALEYLBKZCCU-KRWDZBQOSA-N 1 2 343.475 2.128 20 30 EEEDLO C=CCCCC(=O)N[C@@H](CNc1ncnc2c1C[N@@H+](C)CC2)C1CC1 ZINC001109962556 806285573 /nfs/dbraw/zinc/28/55/73/806285573.db2.gz VAKALEYLBKZCCU-KRWDZBQOSA-N 1 2 343.475 2.128 20 30 EEEDLO C#Cc1cncc(C(=O)NC2C[NH+](CCc3ccc(Cl)cc3)C2)c1 ZINC001030928220 793969432 /nfs/dbraw/zinc/96/94/32/793969432.db2.gz JIQAQCFWOSVZMA-UHFFFAOYSA-N 1 2 339.826 2.373 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+](Cc2cnsn2)C[C@H]1C ZINC001092677739 794224960 /nfs/dbraw/zinc/22/49/60/794224960.db2.gz NAXGELKHXYNATR-ZIAGYGMSSA-N 1 2 345.472 2.024 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+](Cc2cnsn2)C[C@H]1C ZINC001092677739 794224963 /nfs/dbraw/zinc/22/49/63/794224963.db2.gz NAXGELKHXYNATR-ZIAGYGMSSA-N 1 2 345.472 2.024 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC)CCCCC1 ZINC001110135566 794319463 /nfs/dbraw/zinc/31/94/63/794319463.db2.gz JMEREENLAUPCLB-IKGGRYGDSA-N 1 2 347.503 2.371 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC)CCCCC1 ZINC001110135566 794319472 /nfs/dbraw/zinc/31/94/72/794319472.db2.gz JMEREENLAUPCLB-IKGGRYGDSA-N 1 2 347.503 2.371 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2[nH]nc3c2CCCC3)[C@H](C)C1 ZINC001092768693 794346321 /nfs/dbraw/zinc/34/63/21/794346321.db2.gz NIFDTGWUGBFGRW-DGCLKSJQSA-N 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C=CC[NH+]1CC(OC2CCN(C(=O)c3c[nH]nc3C(C)C)CC2)C1 ZINC001093549262 795365700 /nfs/dbraw/zinc/36/57/00/795365700.db2.gz MZYTYIOEPBFUSF-UHFFFAOYSA-N 1 2 332.448 2.025 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)Cc3ccsc3C)CC2)C1 ZINC001093581471 795393077 /nfs/dbraw/zinc/39/30/77/795393077.db2.gz LROLRGQSXNMODM-UHFFFAOYSA-N 1 2 334.485 2.477 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3cc(CC)on3)CC2)C1 ZINC001093593901 795407109 /nfs/dbraw/zinc/40/71/09/795407109.db2.gz OZEICTSBPMYEMA-UHFFFAOYSA-N 1 2 333.432 2.119 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC(N(CC)C(=O)CCCn2cc[nH+]c2)C1 ZINC001080026697 795503370 /nfs/dbraw/zinc/50/33/70/795503370.db2.gz CWDUCZNOVRLISM-MRXNPFEDSA-N 1 2 346.475 2.325 20 30 EEEDLO C[C@@H](CCNc1cccc(F)c1C#N)NC(=O)CCc1c[nH+]cn1C ZINC001106406829 795522300 /nfs/dbraw/zinc/52/23/00/795522300.db2.gz ZPRLWPICTNSPIW-ZDUSSCGKSA-N 1 2 343.406 2.370 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O)C1CCCC1 ZINC001077980351 795599934 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20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3cc(C)cc(F)c3)nn2)C1 ZINC001094320693 796086676 /nfs/dbraw/zinc/08/66/76/796086676.db2.gz OVZSBSZDUBOJSL-UHFFFAOYSA-N 1 2 343.406 2.088 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)[C@@H]2C)cnn1 ZINC000993236384 796155754 /nfs/dbraw/zinc/15/57/54/796155754.db2.gz PWTLBFYHNGSLOC-BEFAXECRSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)cnn1 ZINC000993236384 796155756 /nfs/dbraw/zinc/15/57/56/796155756.db2.gz PWTLBFYHNGSLOC-BEFAXECRSA-N 1 2 349.438 2.440 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2ncc[nH]2)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000993313823 796330758 /nfs/dbraw/zinc/33/07/58/796330758.db2.gz OISBYMUKLVYJNM-MLGOLLRUSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2ncc[nH]2)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000993313823 796330761 /nfs/dbraw/zinc/33/07/61/796330761.db2.gz OISBYMUKLVYJNM-MLGOLLRUSA-N 1 2 341.390 2.203 20 30 EEEDLO CS(=O)(=O)c1cccc(OCCO[NH+]=C(N)Cc2ccccc2)c1 ZINC000153703078 796379518 /nfs/dbraw/zinc/37/95/18/796379518.db2.gz BFDANZTYDVXVTI-UHFFFAOYSA-N 1 2 348.424 2.000 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000993339934 796428002 /nfs/dbraw/zinc/42/80/02/796428002.db2.gz FCTCFRKSCOZYTR-RHSMWYFYSA-N 1 2 337.427 2.373 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000993339934 796428004 /nfs/dbraw/zinc/42/80/04/796428004.db2.gz FCTCFRKSCOZYTR-RHSMWYFYSA-N 1 2 337.427 2.373 20 30 EEEDLO CC(C)C[C@H](C(=O)NCCCNc1ccc(C#N)nc1)n1cc[nH+]c1 ZINC001094626489 796473804 /nfs/dbraw/zinc/47/38/04/796473804.db2.gz FPDNOCLFVRUAJU-QGZVFWFLSA-N 1 2 340.431 2.355 20 30 EEEDLO CCN(CCNc1snc(C)c1C#N)C(=O)CCCn1cc[nH+]c1 ZINC001106793767 796575577 /nfs/dbraw/zinc/57/55/77/796575577.db2.gz VBOIYGPAZMXQCM-UHFFFAOYSA-N 1 2 346.460 2.261 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C(C)(C)C3CCCCC3)CC2=O)C1 ZINC001094795671 796587652 /nfs/dbraw/zinc/58/76/52/796587652.db2.gz VXXJWPBKDKHXQB-MRXNPFEDSA-N 1 2 347.503 2.180 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)s2)C[C@H]1O ZINC001099723059 796655088 /nfs/dbraw/zinc/65/50/88/796655088.db2.gz CUDNZQWGXLIUGU-QWHCGFSZSA-N 1 2 328.865 2.419 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)s2)C[C@H]1O ZINC001099723059 796655089 /nfs/dbraw/zinc/65/50/89/796655089.db2.gz CUDNZQWGXLIUGU-QWHCGFSZSA-N 1 2 328.865 2.419 20 30 EEEDLO CCN(CCNc1cccc(F)c1C#N)C(=O)CCc1c[nH+]cn1C ZINC001106814248 796694755 /nfs/dbraw/zinc/69/47/55/796694755.db2.gz UEZDMNDQGVAXNE-UHFFFAOYSA-N 1 2 343.406 2.324 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc(C3CC3)cn2)[C@@H]1C ZINC000993498457 796750112 /nfs/dbraw/zinc/75/01/12/796750112.db2.gz FCCXSXQAVJJHIE-XJKSGUPXSA-N 1 2 336.867 2.482 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc(C3CC3)cn2)[C@@H]1C ZINC000993498457 796750115 /nfs/dbraw/zinc/75/01/15/796750115.db2.gz FCCXSXQAVJJHIE-XJKSGUPXSA-N 1 2 336.867 2.482 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C=C1CCC1 ZINC001081519431 796791623 /nfs/dbraw/zinc/79/16/23/796791623.db2.gz CXPUUJRATGVQHH-QZTJIDSGSA-N 1 2 343.402 2.123 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C=C1CCC1 ZINC001081519431 796791626 /nfs/dbraw/zinc/79/16/26/796791626.db2.gz CXPUUJRATGVQHH-QZTJIDSGSA-N 1 2 343.402 2.123 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2csnn2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993621055 796847053 /nfs/dbraw/zinc/84/70/53/796847053.db2.gz FAYRDJOFUFHTAH-MFKMUULPSA-N 1 2 347.469 2.254 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2csnn2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993621055 796847059 /nfs/dbraw/zinc/84/70/59/796847059.db2.gz FAYRDJOFUFHTAH-MFKMUULPSA-N 1 2 347.469 2.254 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C[C@H]1O ZINC001099727137 796848788 /nfs/dbraw/zinc/84/87/88/796848788.db2.gz MUKMBSYPMBACBX-HUUCEWRRSA-N 1 2 340.826 2.497 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(Cl)c2F)C[C@H]1O ZINC001099727137 796848791 /nfs/dbraw/zinc/84/87/91/796848791.db2.gz MUKMBSYPMBACBX-HUUCEWRRSA-N 1 2 340.826 2.497 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc(Cl)n(C)n2)[C@H]1C ZINC000993594399 796854708 /nfs/dbraw/zinc/85/47/08/796854708.db2.gz ZSSLNTTZTWQYPH-GHMZBOCLSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)n(C)n2)[C@H]1C ZINC000993594399 796854714 /nfs/dbraw/zinc/85/47/14/796854714.db2.gz ZSSLNTTZTWQYPH-GHMZBOCLSA-N 1 2 331.247 2.409 20 30 EEEDLO CCOC(=O)c1cn2c(n1)C[N@H+]([C@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172306973 796950594 /nfs/dbraw/zinc/95/05/94/796950594.db2.gz LZTRTKOPEQFDJS-CQSZACIVSA-N 1 2 338.411 2.378 20 30 EEEDLO CCOC(=O)c1cn2c(n1)C[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172306973 796950626 /nfs/dbraw/zinc/95/06/26/796950626.db2.gz LZTRTKOPEQFDJS-CQSZACIVSA-N 1 2 338.411 2.378 20 30 EEEDLO Cc1nc(NCCCCCCNC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001094950180 797092667 /nfs/dbraw/zinc/09/26/67/797092667.db2.gz MXMCVQIYOGCLBL-UHFFFAOYSA-N 1 2 326.404 2.387 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@H]2OC)CC1 ZINC001082102088 797174854 /nfs/dbraw/zinc/17/48/54/797174854.db2.gz GFDSOMKZVTYUEL-NVXWUHKLSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ocnc3C)C[C@H]2OC)CC1 ZINC001082102088 797174858 /nfs/dbraw/zinc/17/48/58/797174858.db2.gz GFDSOMKZVTYUEL-NVXWUHKLSA-N 1 2 333.432 2.045 20 30 EEEDLO Cn1ncc2c1C[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)CC2 ZINC001172990554 797186718 /nfs/dbraw/zinc/18/67/18/797186718.db2.gz PBPJFGTYUPDXGF-GJZGRUSLSA-N 1 2 345.447 2.070 20 30 EEEDLO Cn1ncc2c1C[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)CC2 ZINC001172990554 797186724 /nfs/dbraw/zinc/18/67/24/797186724.db2.gz PBPJFGTYUPDXGF-GJZGRUSLSA-N 1 2 345.447 2.070 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1cccnc1)N(C)C)C2 ZINC001110168037 797251857 /nfs/dbraw/zinc/25/18/57/797251857.db2.gz JXOLNBQSPWKZNI-LTIDMASMSA-N 1 2 348.878 2.158 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1cccnc1)N(C)C)C2 ZINC001110168037 797251861 /nfs/dbraw/zinc/25/18/61/797251861.db2.gz JXOLNBQSPWKZNI-LTIDMASMSA-N 1 2 348.878 2.158 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001082197948 797288960 /nfs/dbraw/zinc/28/89/60/797288960.db2.gz IMXBTJYDSGSZBO-HOTGVXAUSA-N 1 2 346.475 2.360 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001095199082 797485482 /nfs/dbraw/zinc/48/54/82/797485482.db2.gz FKNMYPVLEOTMSG-GOSISDBHSA-N 1 2 332.448 2.053 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](CCOc2ccccc2C)C1 ZINC001031313948 797571504 /nfs/dbraw/zinc/57/15/04/797571504.db2.gz DYSVLZOKWVFOQU-UHFFFAOYSA-N 1 2 348.446 2.398 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)[nH]1 ZINC001095243888 797583302 /nfs/dbraw/zinc/58/33/02/797583302.db2.gz ZFJSRKKHKCCPMU-AOIWGVFYSA-N 1 2 334.423 2.105 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)[nH]1 ZINC001095243888 797583306 /nfs/dbraw/zinc/58/33/06/797583306.db2.gz ZFJSRKKHKCCPMU-AOIWGVFYSA-N 1 2 334.423 2.105 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)o1 ZINC001095282987 797698488 /nfs/dbraw/zinc/69/84/88/797698488.db2.gz GRZRQISJCIIKMG-AEIGPULVSA-N 1 2 339.399 2.279 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)o1 ZINC001095282987 797698494 /nfs/dbraw/zinc/69/84/94/797698494.db2.gz GRZRQISJCIIKMG-AEIGPULVSA-N 1 2 339.399 2.279 20 30 EEEDLO COCC[NH+](CCOC)CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000916645076 797733712 /nfs/dbraw/zinc/73/37/12/797733712.db2.gz REJNSIRATGCUSI-XMHGGMMESA-N 1 2 346.471 2.462 20 30 EEEDLO C[C@H](c1ccccc1F)[N@@H+]1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC001083075492 797828145 /nfs/dbraw/zinc/82/81/45/797828145.db2.gz XRXASUMBIVFDBK-MDASCCDHSA-N 1 2 342.414 2.212 20 30 EEEDLO C[C@H](c1ccccc1F)[N@H+]1C[C@H]2OCCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC001083075492 797828147 /nfs/dbraw/zinc/82/81/47/797828147.db2.gz XRXASUMBIVFDBK-MDASCCDHSA-N 1 2 342.414 2.212 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cc(C)no2)CC1 ZINC001002330371 797892471 /nfs/dbraw/zinc/89/24/71/797892471.db2.gz ZJZFRXQZNXHTRX-UHFFFAOYSA-N 1 2 328.210 2.086 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc(N(C)C)ccn2)[C@H]1C ZINC000994513185 798123288 /nfs/dbraw/zinc/12/32/88/798123288.db2.gz YCENVGGXGXIECG-HIFRSBDPSA-N 1 2 336.867 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc(N(C)C)ccn2)[C@H]1C ZINC000994513185 798123290 /nfs/dbraw/zinc/12/32/90/798123290.db2.gz YCENVGGXGXIECG-HIFRSBDPSA-N 1 2 336.867 2.483 20 30 EEEDLO CO[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21)C1CC1 ZINC001084316153 798142038 /nfs/dbraw/zinc/14/20/38/798142038.db2.gz UTQGYFRNNKYVRT-GUDVDZBRSA-N 1 2 339.439 2.016 20 30 EEEDLO CO[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21)C1CC1 ZINC001084316153 798142041 /nfs/dbraw/zinc/14/20/41/798142041.db2.gz UTQGYFRNNKYVRT-GUDVDZBRSA-N 1 2 339.439 2.016 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cn3ccc(C)n3)[C@@H]2C1 ZINC001084373577 798174124 /nfs/dbraw/zinc/17/41/24/798174124.db2.gz OVVOSLNWRBYSHQ-DAXOMENPSA-N 1 2 336.867 2.113 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cn3ccc(C)n3)[C@@H]2C1 ZINC001084373577 798174129 /nfs/dbraw/zinc/17/41/29/798174129.db2.gz OVVOSLNWRBYSHQ-DAXOMENPSA-N 1 2 336.867 2.113 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4nc[nH]c43)[C@@H]2C1 ZINC001084653742 798344160 /nfs/dbraw/zinc/34/41/60/798344160.db2.gz UKCCPQXUEKNTPZ-VNHYZAJKSA-N 1 2 334.851 2.115 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4nc[nH]c43)[C@@H]2C1 ZINC001084653742 798344167 /nfs/dbraw/zinc/34/41/67/798344167.db2.gz UKCCPQXUEKNTPZ-VNHYZAJKSA-N 1 2 334.851 2.115 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Oc3ccccn3)[C@@H]2C1 ZINC001084780095 798452665 /nfs/dbraw/zinc/45/26/65/798452665.db2.gz PWZRVYGISGIKDT-RRFJBIMHSA-N 1 2 335.835 2.134 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Oc3ccccn3)[C@@H]2C1 ZINC001084780095 798452669 /nfs/dbraw/zinc/45/26/69/798452669.db2.gz PWZRVYGISGIKDT-RRFJBIMHSA-N 1 2 335.835 2.134 20 30 EEEDLO C=CCCC(=O)NCc1cnn2c1C[N@H+](CC[C@H]1CCCCO1)CC2 ZINC001128259475 798574137 /nfs/dbraw/zinc/57/41/37/798574137.db2.gz GBRXYKNNLGZMKB-QGZVFWFLSA-N 1 2 346.475 2.240 20 30 EEEDLO C=CCCC(=O)NCc1cnn2c1C[N@@H+](CC[C@H]1CCCCO1)CC2 ZINC001128259475 798574139 /nfs/dbraw/zinc/57/41/39/798574139.db2.gz GBRXYKNNLGZMKB-QGZVFWFLSA-N 1 2 346.475 2.240 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(NC(=O)Cc2n[nH]c3c2CCCC3)CC1 ZINC001002815264 798659905 /nfs/dbraw/zinc/65/99/05/798659905.db2.gz LYMQORMFAMKGFJ-UHFFFAOYSA-N 1 2 336.867 2.164 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C)c(C)o3)C[C@@H]21 ZINC001176982921 798672554 /nfs/dbraw/zinc/67/25/54/798672554.db2.gz LIGOWIFCJFXRMF-DLBZAZTESA-N 1 2 348.443 2.014 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C)c(C)o3)C[C@@H]21 ZINC001176982921 798672557 /nfs/dbraw/zinc/67/25/57/798672557.db2.gz LIGOWIFCJFXRMF-DLBZAZTESA-N 1 2 348.443 2.014 20 30 EEEDLO Cc1ccccc1C[N@H+]1CCO[C@H]2CCN(C(=O)C#CC(C)C)C[C@@H]21 ZINC001177018255 798697804 /nfs/dbraw/zinc/69/78/04/798697804.db2.gz CBLOFWRCUYHETM-PMACEKPBSA-N 1 2 340.467 2.456 20 30 EEEDLO Cc1ccccc1C[N@@H+]1CCO[C@H]2CCN(C(=O)C#CC(C)C)C[C@@H]21 ZINC001177018255 798697809 /nfs/dbraw/zinc/69/78/09/798697809.db2.gz CBLOFWRCUYHETM-PMACEKPBSA-N 1 2 340.467 2.456 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](CCOC(C)C)[C@H]2C1 ZINC001177106364 798752870 /nfs/dbraw/zinc/75/28/70/798752870.db2.gz AFQWPEAVCLKXAN-DLBZAZTESA-N 1 2 338.492 2.315 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](CCOC(C)C)[C@H]2C1 ZINC001177106364 798752873 /nfs/dbraw/zinc/75/28/73/798752873.db2.gz AFQWPEAVCLKXAN-DLBZAZTESA-N 1 2 338.492 2.315 20 30 EEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCCNCC#N)CC1CCCC1 ZINC001177436636 798968625 /nfs/dbraw/zinc/96/86/25/798968625.db2.gz FAYHIEPDDDSASQ-HNNXBMFYSA-N 1 2 331.464 2.110 20 30 EEEDLO Cc1nc(NC[C@@]2(C)CCN(C(=O)[C@@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001065398574 798989987 /nfs/dbraw/zinc/98/99/87/798989987.db2.gz SLQYIKGLMOZDCR-ORAYPTAESA-N 1 2 341.459 2.474 20 30 EEEDLO CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C#N)Cc1cccs1 ZINC001177917670 799179084 /nfs/dbraw/zinc/17/90/84/799179084.db2.gz LGVUXKMSUQNHDO-ZBFHGGJFSA-N 1 2 349.500 2.293 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3C=CCC3)C2)CC1 ZINC001065682579 799339881 /nfs/dbraw/zinc/33/98/81/799339881.db2.gz JZVXZSGWWLVEDB-MSOLQXFVSA-N 1 2 345.487 2.054 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)/C=C(/C)CC)CC2)C1 ZINC001065705375 799353356 /nfs/dbraw/zinc/35/33/56/799353356.db2.gz YFURJUINZATMEJ-DNKLCNGGSA-N 1 2 347.503 2.444 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C3(CC)CCC3)CC2)C1 ZINC001065695643 799375938 /nfs/dbraw/zinc/37/59/38/799375938.db2.gz YDUUFDLEOGYYDZ-KRWDZBQOSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2nc(C3CC3)no2)[C@@H]1C ZINC001178278544 799376012 /nfs/dbraw/zinc/37/60/12/799376012.db2.gz JEVLYAYYPMFVBE-GUTXKFCHSA-N 1 2 348.447 2.007 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CC[C@H](OC)C2)CC1 ZINC001003194143 799379823 /nfs/dbraw/zinc/37/98/23/799379823.db2.gz RKTFTDZMWRVBQV-JSGCOSHPSA-N 1 2 345.281 2.291 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CCCC)CC2)C1 ZINC001065699508 799386537 /nfs/dbraw/zinc/38/65/37/799386537.db2.gz MUUCTKYQAWESAV-SFHVURJKSA-N 1 2 347.503 2.115 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C(C)(C)C(=C)C)C2)CC1 ZINC001065708635 799402701 /nfs/dbraw/zinc/40/27/01/799402701.db2.gz GWNDNBSJLVNHBU-QGZVFWFLSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)/C=C(\C)CC)CC2)C1 ZINC001065709417 799403743 /nfs/dbraw/zinc/40/37/43/799403743.db2.gz VPIFEWHMQYCSLN-FYPAKXHLSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3CC3(C)C)CC2)C1 ZINC001065710740 799406675 /nfs/dbraw/zinc/40/66/75/799406675.db2.gz DOXABYFOSONZGY-IAGOWNOFSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)C3(C)CC(=C)C3)C2)CC1 ZINC001065713459 799414124 /nfs/dbraw/zinc/41/41/24/799414124.db2.gz TYPAGYAFCCFVND-KRWDZBQOSA-N 1 2 345.487 2.054 20 30 EEEDLO Cc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@@H]2O)c1 ZINC001090042192 800215608 /nfs/dbraw/zinc/21/56/08/800215608.db2.gz NZOIBFKEOKVSSU-PMACEKPBSA-N 1 2 349.434 2.232 20 30 EEEDLO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@@H]2O)c1 ZINC001090042192 800215616 /nfs/dbraw/zinc/21/56/16/800215616.db2.gz NZOIBFKEOKVSSU-PMACEKPBSA-N 1 2 349.434 2.232 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccco1)C2 ZINC001110237802 800454143 /nfs/dbraw/zinc/45/41/43/800454143.db2.gz FPBDWSDFVCVQJQ-OAGGEKHMSA-N 1 2 345.443 2.039 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccco1)C2 ZINC001110237802 800454145 /nfs/dbraw/zinc/45/41/45/800454145.db2.gz FPBDWSDFVCVQJQ-OAGGEKHMSA-N 1 2 345.443 2.039 20 30 EEEDLO Cc1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1C ZINC001032962958 800568114 /nfs/dbraw/zinc/56/81/14/800568114.db2.gz BOAXGATWOUFSCT-KRWDZBQOSA-N 1 2 337.427 2.245 20 30 EEEDLO Cc1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1C ZINC001032962958 800568121 /nfs/dbraw/zinc/56/81/21/800568121.db2.gz BOAXGATWOUFSCT-KRWDZBQOSA-N 1 2 337.427 2.245 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CN(C)C(=O)c2ccc[nH]2)cc1C#N ZINC001085483571 800612050 /nfs/dbraw/zinc/61/20/50/800612050.db2.gz GSOSHNUAFOTILY-INIZCTEOSA-N 1 2 338.411 2.241 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CN(C)C(=O)c2ccc[nH]2)cc1C#N ZINC001085483571 800612053 /nfs/dbraw/zinc/61/20/53/800612053.db2.gz GSOSHNUAFOTILY-INIZCTEOSA-N 1 2 338.411 2.241 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc[nH]c1 ZINC001085612082 800887498 /nfs/dbraw/zinc/88/74/98/800887498.db2.gz KAWXPPKNUDUGDE-KRWDZBQOSA-N 1 2 338.411 2.241 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CN(C)C(=O)c1cc[nH]c1 ZINC001085612082 800887503 /nfs/dbraw/zinc/88/75/03/800887503.db2.gz KAWXPPKNUDUGDE-KRWDZBQOSA-N 1 2 338.411 2.241 20 30 EEEDLO Cc1cnn(C)c1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085773837 801233294 /nfs/dbraw/zinc/23/32/94/801233294.db2.gz OLBIDMJQJJQHCA-ZDUSSCGKSA-N 1 2 343.456 2.008 20 30 EEEDLO Cc1cnn(C)c1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085773837 801233301 /nfs/dbraw/zinc/23/33/01/801233301.db2.gz OLBIDMJQJJQHCA-ZDUSSCGKSA-N 1 2 343.456 2.008 20 30 EEEDLO Cc1ncc(C(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2ccccc2)c(C)n1 ZINC001085878843 801512628 /nfs/dbraw/zinc/51/26/28/801512628.db2.gz OEPQIRWKTXBUGP-LJQANCHMSA-N 1 2 348.450 2.291 20 30 EEEDLO Cc1ncc(C(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2ccccc2)c(C)n1 ZINC001085878843 801512633 /nfs/dbraw/zinc/51/26/33/801512633.db2.gz OEPQIRWKTXBUGP-LJQANCHMSA-N 1 2 348.450 2.291 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccnn2CC(F)F)C1 ZINC001033085112 801518081 /nfs/dbraw/zinc/51/80/81/801518081.db2.gz PSMXOWNDNJSXBN-LLVKDONJSA-N 1 2 332.782 2.047 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnn2CC(F)F)C1 ZINC001033085112 801518091 /nfs/dbraw/zinc/51/80/91/801518091.db2.gz PSMXOWNDNJSXBN-LLVKDONJSA-N 1 2 332.782 2.047 20 30 EEEDLO C#CCCCCCC(=O)N[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001066380643 802106385 /nfs/dbraw/zinc/10/63/85/802106385.db2.gz MBGKVBJODWGQLS-INIZCTEOSA-N 1 2 344.459 2.033 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2ccncc2)CC1 ZINC001004481243 802186215 /nfs/dbraw/zinc/18/62/15/802186215.db2.gz LHPHDXZOGUANPI-SFHVURJKSA-N 1 2 326.444 2.241 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2ccncc2)CC1 ZINC001004481243 802186219 /nfs/dbraw/zinc/18/62/19/802186219.db2.gz LHPHDXZOGUANPI-SFHVURJKSA-N 1 2 326.444 2.241 20 30 EEEDLO Cc1cc(=O)oc(C)c1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004486478 802190515 /nfs/dbraw/zinc/19/05/15/802190515.db2.gz VQERCFNFHPQTPS-INIZCTEOSA-N 1 2 343.427 2.097 20 30 EEEDLO Cc1cc(=O)oc(C)c1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004486478 802190520 /nfs/dbraw/zinc/19/05/20/802190520.db2.gz VQERCFNFHPQTPS-INIZCTEOSA-N 1 2 343.427 2.097 20 30 EEEDLO CCOC1CC(CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004529232 802323562 /nfs/dbraw/zinc/32/35/62/802323562.db2.gz RJIFLWJAIZVHHP-VMWRSERWSA-N 1 2 333.476 2.418 20 30 EEEDLO CCOC1CC(CC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004529232 802323569 /nfs/dbraw/zinc/32/35/69/802323569.db2.gz RJIFLWJAIZVHHP-VMWRSERWSA-N 1 2 333.476 2.418 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001033144966 802398993 /nfs/dbraw/zinc/39/89/93/802398993.db2.gz DAYZWAZVIDWFRD-KRWDZBQOSA-N 1 2 341.459 2.237 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001033144966 802399002 /nfs/dbraw/zinc/39/90/02/802399002.db2.gz DAYZWAZVIDWFRD-KRWDZBQOSA-N 1 2 341.459 2.237 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC001033146235 802411948 /nfs/dbraw/zinc/41/19/48/802411948.db2.gz KJFXNJNLUGXJAB-SECBINFHSA-N 1 2 336.745 2.327 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC001033146235 802411953 /nfs/dbraw/zinc/41/19/53/802411953.db2.gz KJFXNJNLUGXJAB-SECBINFHSA-N 1 2 336.745 2.327 20 30 EEEDLO CCCn1ncc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c1C ZINC001004586171 802426159 /nfs/dbraw/zinc/42/61/59/802426159.db2.gz QGMZODFYCPGRJD-SFHVURJKSA-N 1 2 343.475 2.442 20 30 EEEDLO CCCn1ncc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c1C ZINC001004586171 802426164 /nfs/dbraw/zinc/42/61/64/802426164.db2.gz QGMZODFYCPGRJD-SFHVURJKSA-N 1 2 343.475 2.442 20 30 EEEDLO CCOc1ncccc1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004611564 802480757 /nfs/dbraw/zinc/48/07/57/802480757.db2.gz WMHCZVIYRYJVMN-QGZVFWFLSA-N 1 2 342.443 2.320 20 30 EEEDLO CCOc1ncccc1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004611564 802480759 /nfs/dbraw/zinc/48/07/59/802480759.db2.gz WMHCZVIYRYJVMN-QGZVFWFLSA-N 1 2 342.443 2.320 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC2(F)F)C1 ZINC001033189432 803017599 /nfs/dbraw/zinc/01/75/99/803017599.db2.gz OMEYCFDZJHYHJT-MNOVXSKESA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC2(F)F)C1 ZINC001033189432 803017603 /nfs/dbraw/zinc/01/76/03/803017603.db2.gz OMEYCFDZJHYHJT-MNOVXSKESA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)ccc2F)[C@H](O)C1 ZINC001090413779 803168207 /nfs/dbraw/zinc/16/82/07/803168207.db2.gz OQMDTFXKNSEZOS-ZIAGYGMSSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)ccc2F)[C@H](O)C1 ZINC001090413779 803168214 /nfs/dbraw/zinc/16/82/14/803168214.db2.gz OQMDTFXKNSEZOS-ZIAGYGMSSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC001033202875 803186114 /nfs/dbraw/zinc/18/61/14/803186114.db2.gz ORIXKKHCVUKUTR-LBPRGKRZSA-N 1 2 346.818 2.234 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC001033202875 803186120 /nfs/dbraw/zinc/18/61/20/803186120.db2.gz ORIXKKHCVUKUTR-LBPRGKRZSA-N 1 2 346.818 2.234 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccnc(OC3CCC3)c2)C1 ZINC001108312971 803283489 /nfs/dbraw/zinc/28/34/89/803283489.db2.gz UYKZGDQFIVJPSU-IBGZPJMESA-N 1 2 345.443 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803501530 /nfs/dbraw/zinc/50/15/30/803501530.db2.gz SMOULQAHVQXZBY-DNVCBOLYSA-N 1 2 332.419 2.160 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001108410655 803501533 /nfs/dbraw/zinc/50/15/33/803501533.db2.gz SMOULQAHVQXZBY-DNVCBOLYSA-N 1 2 332.419 2.160 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001108422438 803536739 /nfs/dbraw/zinc/53/67/39/803536739.db2.gz SGQPCRIFHALTON-HXUWFJFHSA-N 1 2 340.467 2.257 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001108422438 803536742 /nfs/dbraw/zinc/53/67/42/803536742.db2.gz SGQPCRIFHALTON-HXUWFJFHSA-N 1 2 340.467 2.257 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001108429716 803543569 /nfs/dbraw/zinc/54/35/69/803543569.db2.gz MZIGJKDHBJGDNR-YQVWRLOYSA-N 1 2 332.419 2.322 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001108429716 803543573 /nfs/dbraw/zinc/54/35/73/803543573.db2.gz MZIGJKDHBJGDNR-YQVWRLOYSA-N 1 2 332.419 2.322 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@H](C)C(CC)CC)CC2=O)C1 ZINC001108553809 804057529 /nfs/dbraw/zinc/05/75/29/804057529.db2.gz WVCQBYAUOXBHII-GDBMZVCRSA-N 1 2 335.492 2.036 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CCCCCC(C)C)CC2=O)C1 ZINC001108576314 804155129 /nfs/dbraw/zinc/15/51/29/804155129.db2.gz QOLQZSDFZBWJFC-INIZCTEOSA-N 1 2 335.492 2.180 20 30 EEEDLO Cc1nc(NC[C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)ccc1C#N ZINC001108721655 804424246 /nfs/dbraw/zinc/42/42/46/804424246.db2.gz RLQZXPBJCNKFJQ-STQMWFEESA-N 1 2 326.404 2.026 20 30 EEEDLO CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109034137 804843080 /nfs/dbraw/zinc/84/30/80/804843080.db2.gz LHBGTQZGWZGNFI-NJAFHUGGSA-N 1 2 345.418 2.345 20 30 EEEDLO CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109034137 804843083 /nfs/dbraw/zinc/84/30/83/804843083.db2.gz LHBGTQZGWZGNFI-NJAFHUGGSA-N 1 2 345.418 2.345 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C)n(C)n1 ZINC001109170496 805063879 /nfs/dbraw/zinc/06/38/79/805063879.db2.gz RURIXOUUSIAHNN-SQNIBIBYSA-N 1 2 328.460 2.144 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C)n(C)n1 ZINC001109170496 805063889 /nfs/dbraw/zinc/06/38/89/805063889.db2.gz RURIXOUUSIAHNN-SQNIBIBYSA-N 1 2 328.460 2.144 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(F)cccc1F ZINC001109273250 805221952 /nfs/dbraw/zinc/22/19/52/805221952.db2.gz AEBSHEBOGXQWCD-BVGQSLNGSA-N 1 2 348.393 2.226 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(F)cccc1F ZINC001109273250 805221959 /nfs/dbraw/zinc/22/19/59/805221959.db2.gz AEBSHEBOGXQWCD-BVGQSLNGSA-N 1 2 348.393 2.226 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)CC ZINC001109328862 805305235 /nfs/dbraw/zinc/30/52/35/805305235.db2.gz FJVJBDKZHLSIRG-BGTYHANMSA-N 1 2 347.503 2.391 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)CC ZINC001109328862 805305245 /nfs/dbraw/zinc/30/52/45/805305245.db2.gz FJVJBDKZHLSIRG-BGTYHANMSA-N 1 2 347.503 2.391 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC001112801636 807297044 /nfs/dbraw/zinc/29/70/44/807297044.db2.gz ZJEMCYWCEAWSPU-FQEVSTJZSA-N 1 2 346.471 2.445 20 30 EEEDLO CN(C)c1ccccc1C[NH+]1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001112832128 807356452 /nfs/dbraw/zinc/35/64/52/807356452.db2.gz HLQHBBNHCZZZAD-UHFFFAOYSA-N 1 2 327.472 2.446 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC001112895992 807555728 /nfs/dbraw/zinc/55/57/28/807555728.db2.gz AMFGKIDYUIZYNQ-UHFFFAOYSA-N 1 2 328.416 2.469 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(-c3cnco3)cc2)CC1 ZINC001113019575 807868195 /nfs/dbraw/zinc/86/81/95/807868195.db2.gz UKQJIMDGVPCZRO-UHFFFAOYSA-N 1 2 341.411 2.302 20 30 EEEDLO Cc1nc(N[C@H](C)[C@H](C)NC(=O)C#CC2CC2)c2c([nH+]1)CCCC2 ZINC001113036014 807909723 /nfs/dbraw/zinc/90/97/23/807909723.db2.gz JHVAUVQMSCKJCX-QWHCGFSZSA-N 1 2 326.444 2.382 20 30 EEEDLO C[C@H](NC(=O)c1cccc2[nH+]ccn21)[C@H](C)Nc1ncccc1C#N ZINC001113220169 808467235 /nfs/dbraw/zinc/46/72/35/808467235.db2.gz MMRXDADWJLCTHP-STQMWFEESA-N 1 2 334.383 2.220 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H](C)[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001113316287 808714097 /nfs/dbraw/zinc/71/40/97/808714097.db2.gz GIHSTFNEVSMCCR-NEPJUHHUSA-N 1 2 334.468 2.153 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(OC)cc2Cl)CC1 ZINC001113437830 808995408 /nfs/dbraw/zinc/99/54/08/808995408.db2.gz OCPQYPBEUGMYDV-UHFFFAOYSA-N 1 2 338.835 2.309 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(Cl)cn2CC)CC1 ZINC001113635530 809400057 /nfs/dbraw/zinc/40/00/57/809400057.db2.gz DUNOGQAURSEGJU-UHFFFAOYSA-N 1 2 325.840 2.122 20 30 EEEDLO C=CCCOCC(=O)NC[C@@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001113639753 809423211 /nfs/dbraw/zinc/42/32/11/809423211.db2.gz KBBXUEOPHBOSKN-CQSZACIVSA-N 1 2 346.475 2.197 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001086603550 809495176 /nfs/dbraw/zinc/49/51/76/809495176.db2.gz FIXGIFSOAAOVQU-QXDIGNSFSA-N 1 2 346.858 2.216 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001086603550 809495179 /nfs/dbraw/zinc/49/51/79/809495179.db2.gz FIXGIFSOAAOVQU-QXDIGNSFSA-N 1 2 346.858 2.216 20 30 EEEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000792066340 809558610 /nfs/dbraw/zinc/55/86/10/809558610.db2.gz FGANNWDKNMAKPU-KRWDZBQOSA-N 1 2 331.460 2.495 20 30 EEEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000792066340 809558614 /nfs/dbraw/zinc/55/86/14/809558614.db2.gz FGANNWDKNMAKPU-KRWDZBQOSA-N 1 2 331.460 2.495 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H](C)N(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001113728055 809671944 /nfs/dbraw/zinc/67/19/44/809671944.db2.gz LQHGVMCGTDFMOL-AWEZNQCLSA-N 1 2 345.491 2.008 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H](C)N(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001113728055 809671950 /nfs/dbraw/zinc/67/19/50/809671950.db2.gz LQHGVMCGTDFMOL-AWEZNQCLSA-N 1 2 345.491 2.008 20 30 EEEDLO COC(=O)[C@@]1([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCOC1 ZINC001170375637 809929644 /nfs/dbraw/zinc/92/96/44/809929644.db2.gz BTIVKLBOYYFUJK-NKELODKYSA-N 1 2 328.412 2.312 20 30 EEEDLO Cc1cc(N(C)[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c(C#N)cn1 ZINC001113902436 810039861 /nfs/dbraw/zinc/03/98/61/810039861.db2.gz JUSIHAHGEFVOPJ-GJZGRUSLSA-N 1 2 340.431 2.050 20 30 EEEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)Nc3ccccc3F)C[C@H]21 ZINC001114024486 810204106 /nfs/dbraw/zinc/20/41/06/810204106.db2.gz APQAYFYHHKZJMF-UYAYXHRUSA-N 1 2 345.418 2.165 20 30 EEEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)Nc3ccccc3F)C[C@H]21 ZINC001114024486 810204111 /nfs/dbraw/zinc/20/41/11/810204111.db2.gz APQAYFYHHKZJMF-UYAYXHRUSA-N 1 2 345.418 2.165 20 30 EEEDLO CCOC[C@@H]1CCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793496118 810386936 /nfs/dbraw/zinc/38/69/36/810386936.db2.gz CZPRKTVOUJIZTC-OAHLLOKOSA-N 1 2 329.444 2.305 20 30 EEEDLO CCOC[C@@H]1CCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793496118 810386940 /nfs/dbraw/zinc/38/69/40/810386940.db2.gz CZPRKTVOUJIZTC-OAHLLOKOSA-N 1 2 329.444 2.305 20 30 EEEDLO N#Cc1cccnc1NCC1(NC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001114170044 810501002 /nfs/dbraw/zinc/50/10/02/810501002.db2.gz VIMYNOCHIANICD-UHFFFAOYSA-N 1 2 338.415 2.150 20 30 EEEDLO CCCC[C@@H](CNc1cc[nH+]c(C)n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001114227187 810636107 /nfs/dbraw/zinc/63/61/07/810636107.db2.gz BQAJIZCOQXNQIV-AWEZNQCLSA-N 1 2 326.404 2.386 20 30 EEEDLO CC(C)(C)C#CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001114259903 810701115 /nfs/dbraw/zinc/70/11/15/810701115.db2.gz BUUCQTRMLDHOAJ-UOIKSKOESA-N 1 2 327.428 2.148 20 30 EEEDLO CC(C)(C)C#CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001114259903 810701123 /nfs/dbraw/zinc/70/11/23/810701123.db2.gz BUUCQTRMLDHOAJ-UOIKSKOESA-N 1 2 327.428 2.148 20 30 EEEDLO CCCC[C@H](CNc1ncccc1C#N)NC(=O)Cc1[nH]c[nH+]c1C ZINC001114270103 810720786 /nfs/dbraw/zinc/72/07/86/810720786.db2.gz ZMFBBDQPQYQRDL-OAHLLOKOSA-N 1 2 340.431 2.314 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)CCCCC)[C@@H](n2ccnn2)C1 ZINC001129466191 810856751 /nfs/dbraw/zinc/85/67/51/810856751.db2.gz YFEWEBDSLLWDOC-KURKYZTESA-N 1 2 345.491 2.249 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)CCCCC)[C@@H](n2ccnn2)C1 ZINC001129466191 810856758 /nfs/dbraw/zinc/85/67/58/810856758.db2.gz YFEWEBDSLLWDOC-KURKYZTESA-N 1 2 345.491 2.249 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)Nc3ccccc3-n3cnc(C#N)n3)ccn12 ZINC001129476693 810861014 /nfs/dbraw/zinc/86/10/14/810861014.db2.gz DUTZAQBWRWCKGT-UHFFFAOYSA-N 1 2 343.350 2.347 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C(F)C(F)(F)F)C1 ZINC001130393093 811550830 /nfs/dbraw/zinc/55/08/30/811550830.db2.gz YTDPZKNYWBSYCR-GXFFZTMASA-N 1 2 348.344 2.292 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C(F)C(F)(F)F)C1 ZINC001130393093 811550833 /nfs/dbraw/zinc/55/08/33/811550833.db2.gz YTDPZKNYWBSYCR-GXFFZTMASA-N 1 2 348.344 2.292 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001130393093 811550838 /nfs/dbraw/zinc/55/08/38/811550838.db2.gz YTDPZKNYWBSYCR-GXFFZTMASA-N 1 2 348.344 2.292 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001130393093 811550842 /nfs/dbraw/zinc/55/08/42/811550842.db2.gz YTDPZKNYWBSYCR-GXFFZTMASA-N 1 2 348.344 2.292 20 30 EEEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)C(CC)CC)CC1 ZINC001131369451 812729691 /nfs/dbraw/zinc/72/96/91/812729691.db2.gz HZMYTMYYIIDREI-MRXNPFEDSA-N 1 2 337.508 2.285 20 30 EEEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)C(CC)CC)CC1 ZINC001131369451 812729696 /nfs/dbraw/zinc/72/96/96/812729696.db2.gz HZMYTMYYIIDREI-MRXNPFEDSA-N 1 2 337.508 2.285 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@H+](Cc3nc(C)oc3C)C2)C1 ZINC001131645915 813069756 /nfs/dbraw/zinc/06/97/56/813069756.db2.gz NAMVFDXAMABWKJ-AUUYWEPGSA-N 1 2 347.459 2.449 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@@H+](Cc3nc(C)oc3C)C2)C1 ZINC001131645915 813069766 /nfs/dbraw/zinc/06/97/66/813069766.db2.gz NAMVFDXAMABWKJ-AUUYWEPGSA-N 1 2 347.459 2.449 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1ccns1 ZINC001440429712 1093631984 /nfs/dbraw/zinc/63/19/84/1093631984.db2.gz CKOLWVFQBBSDQF-UHFFFAOYSA-N 1 2 332.267 2.446 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1ccns1 ZINC001440429712 1093631987 /nfs/dbraw/zinc/63/19/87/1093631987.db2.gz CKOLWVFQBBSDQF-UHFFFAOYSA-N 1 2 332.267 2.446 20 30 EEEDLO C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc2[nH]nnc2c1 ZINC001441677822 1095656029 /nfs/dbraw/zinc/65/60/29/1095656029.db2.gz OAGSMQWUVQOEOP-ZDUSSCGKSA-N 1 2 333.823 2.295 20 30 EEEDLO Cc1noc(C)c1C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001496659212 1101262647 /nfs/dbraw/zinc/26/26/47/1101262647.db2.gz YIWRCDGWNZDCMR-UHFFFAOYSA-N 1 2 326.400 2.367 20 30 EEEDLO Cc1noc(C)c1C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001496659212 1101262652 /nfs/dbraw/zinc/26/26/52/1101262652.db2.gz YIWRCDGWNZDCMR-UHFFFAOYSA-N 1 2 326.400 2.367 20 30 EEEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)Cc1cccnc1 ZINC001496684509 1101283726 /nfs/dbraw/zinc/28/37/26/1101283726.db2.gz JDGAGXCCLJTHMC-UHFFFAOYSA-N 1 2 340.402 2.225 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)Cc1cccnc1 ZINC001496684509 1101283729 /nfs/dbraw/zinc/28/37/29/1101283729.db2.gz JDGAGXCCLJTHMC-UHFFFAOYSA-N 1 2 340.402 2.225 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NCC3CCC3)C2)CC1 ZINC001494288273 1103826484 /nfs/dbraw/zinc/82/64/84/1103826484.db2.gz FUZUJVXYQAKCAS-GOSISDBHSA-N 1 2 347.503 2.230 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NCC3CCC3)C2)CC1 ZINC001494288273 1103826493 /nfs/dbraw/zinc/82/64/93/1103826493.db2.gz FUZUJVXYQAKCAS-GOSISDBHSA-N 1 2 347.503 2.230 20 30 EEEDLO Cc1nc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)ccc1C#N ZINC001458491487 1109881749 /nfs/dbraw/zinc/88/17/49/1109881749.db2.gz RCVFQSFJJSZQGH-RBUKOAKNSA-N 1 2 334.423 2.351 20 30 EEEDLO Cc1nc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)ccc1C#N ZINC001458491487 1109881752 /nfs/dbraw/zinc/88/17/52/1109881752.db2.gz RCVFQSFJJSZQGH-RBUKOAKNSA-N 1 2 334.423 2.351 20 30 EEEDLO N#C[C@@H](CCc1ccccc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001463571754 1110376779 /nfs/dbraw/zinc/37/67/79/1110376779.db2.gz YQJOXGZEZMLQER-MOPGFXCFSA-N 1 2 341.455 2.082 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)CCc1cn[nH]c1 ZINC001479252240 1110668701 /nfs/dbraw/zinc/66/87/01/1110668701.db2.gz LOULBBFMLAHRDZ-CQSZACIVSA-N 1 2 343.456 2.008 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)CCc1cn[nH]c1 ZINC001479252240 1110668702 /nfs/dbraw/zinc/66/87/02/1110668702.db2.gz LOULBBFMLAHRDZ-CQSZACIVSA-N 1 2 343.456 2.008 20 30 EEEDLO C[C@H](C#N)C(=O)NCC1([NH2+]Cc2ncc(-c3cccs3)o2)CC1 ZINC001499182847 1112166049 /nfs/dbraw/zinc/16/60/49/1112166049.db2.gz OKBRVRMKVIIZFU-LLVKDONJSA-N 1 2 330.413 2.301 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C[C@H]1CCOC1)C1CC1 ZINC001520325449 1119146217 /nfs/dbraw/zinc/14/62/17/1119146217.db2.gz HGPJAGJGCHNCAN-MRXNPFEDSA-N 1 2 345.491 2.455 20 30 EEEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCC#Cc2ccccc2)C1 ZINC000098020510 219070426 /nfs/dbraw/zinc/07/04/26/219070426.db2.gz ZNTFDDVOKGICLZ-GOSISDBHSA-N 1 2 336.439 2.436 20 30 EEEDLO C#CC[NH+]1CCN(Cc2ccsc2I)CC1 ZINC001233154117 792823980 /nfs/dbraw/zinc/82/39/80/792823980.db2.gz WLPYBIDQBOWJTP-UHFFFAOYSA-N 1 2 346.237 2.104 20 30 EEEDLO COC[C@@H]1C[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)CCO1 ZINC000093529410 237045040 /nfs/dbraw/zinc/04/50/40/237045040.db2.gz IYBJZAUJCYJMMC-INIZCTEOSA-N 1 2 334.416 2.225 20 30 EEEDLO COC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)CCO1 ZINC000093529410 237045049 /nfs/dbraw/zinc/04/50/49/237045049.db2.gz IYBJZAUJCYJMMC-INIZCTEOSA-N 1 2 334.416 2.225 20 30 EEEDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000451967377 243329882 /nfs/dbraw/zinc/32/98/82/243329882.db2.gz GZHTVPOFPACZBA-LBPRGKRZSA-N 1 2 341.864 2.316 20 30 EEEDLO C=C(CC)CNC(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000455550304 244024762 /nfs/dbraw/zinc/02/47/62/244024762.db2.gz YGCOCLRYLXWOJT-OAHLLOKOSA-N 1 2 335.452 2.340 20 30 EEEDLO C=C(CC)CNC(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000455550304 244024764 /nfs/dbraw/zinc/02/47/64/244024764.db2.gz YGCOCLRYLXWOJT-OAHLLOKOSA-N 1 2 335.452 2.340 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)COc2ccc3ccccc3c2OC)CC1 ZINC000491735283 246131513 /nfs/dbraw/zinc/13/15/13/246131513.db2.gz JVISSFWDLORIHT-UHFFFAOYSA-N 1 2 338.407 2.005 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3scnc3C)n2C(C)C)CC1 ZINC000491820120 533158773 /nfs/dbraw/zinc/15/87/73/533158773.db2.gz PYHGMONDKDDYCU-UHFFFAOYSA-N 1 2 330.461 2.046 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccccc2NC(C)=O)n1 ZINC000491802083 533219687 /nfs/dbraw/zinc/21/96/87/533219687.db2.gz FLANQQBCOZIYTR-UHFFFAOYSA-N 1 2 340.427 2.123 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccccc2NC(C)=O)n1 ZINC000491802083 533219690 /nfs/dbraw/zinc/21/96/90/533219690.db2.gz FLANQQBCOZIYTR-UHFFFAOYSA-N 1 2 340.427 2.123 20 30 EEEDLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CCN1CC(F)(F)F ZINC000270787110 256172208 /nfs/dbraw/zinc/17/22/08/256172208.db2.gz UXCBCYSTNLQLFO-DOMZBBRYSA-N 1 2 327.350 2.160 20 30 EEEDLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CCN1CC(F)(F)F ZINC000270787110 256172210 /nfs/dbraw/zinc/17/22/10/256172210.db2.gz UXCBCYSTNLQLFO-DOMZBBRYSA-N 1 2 327.350 2.160 20 30 EEEDLO C#C[C@H](CC)NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000491656658 533304384 /nfs/dbraw/zinc/30/43/84/533304384.db2.gz JLZMZGNJPBBLBZ-MSOLQXFVSA-N 1 2 329.444 2.079 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cn1 ZINC000118161634 142370501 /nfs/dbraw/zinc/37/05/01/142370501.db2.gz LPFXTWRZSNHKJW-UHFFFAOYSA-N 1 2 343.343 2.079 20 30 EEEDLO CCCCN(CC)C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000078651399 159122300 /nfs/dbraw/zinc/12/23/00/159122300.db2.gz JHVUXIKEPKIMDN-UHFFFAOYSA-N 1 2 346.450 2.468 20 30 EEEDLO N#Cc1ccc(CNC(=O)COc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000343872599 161176530 /nfs/dbraw/zinc/17/65/30/161176530.db2.gz CEFFIAXSYMKRAH-UHFFFAOYSA-N 1 2 332.363 2.439 20 30 EEEDLO CCN1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000360727850 164369993 /nfs/dbraw/zinc/36/99/93/164369993.db2.gz ICDIGECAXYOXIK-YOEHRIQHSA-N 1 2 337.427 2.290 20 30 EEEDLO COC(=O)C1=C(C)O[C@H](C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000374865620 167054898 /nfs/dbraw/zinc/05/48/98/167054898.db2.gz RVJSSDNVCCLILT-WMZOPIPTSA-N 1 2 342.395 2.167 20 30 EEEDLO COC(=O)C1=C(C)O[C@H](C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000374865620 167054901 /nfs/dbraw/zinc/05/49/01/167054901.db2.gz RVJSSDNVCCLILT-WMZOPIPTSA-N 1 2 342.395 2.167 20 30 EEEDLO Cc1cc(N2CCC(C(=O)NCCCOC(C)C)CC2)c(C#N)c[nH+]1 ZINC000425202382 270019891 /nfs/dbraw/zinc/01/98/91/270019891.db2.gz BSTIXKLXLZMTKJ-UHFFFAOYSA-N 1 2 344.459 2.409 20 30 EEEDLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000286668969 267172857 /nfs/dbraw/zinc/17/28/57/267172857.db2.gz PIRDPQNRNSCFDK-RVKKMQEKSA-N 1 2 342.443 2.124 20 30 EEEDLO C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)c1ccc(C#N)cc1 ZINC000287615513 267177002 /nfs/dbraw/zinc/17/70/02/267177002.db2.gz PHGDDIRNJAEPAF-KSSFIOAISA-N 1 2 327.428 2.236 20 30 EEEDLO C[C@H](NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)c1ccc(C#N)cc1 ZINC000287615513 267177003 /nfs/dbraw/zinc/17/70/03/267177003.db2.gz PHGDDIRNJAEPAF-KSSFIOAISA-N 1 2 327.428 2.236 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nc(C(F)(F)F)ccc1C#N ZINC000414128475 267304155 /nfs/dbraw/zinc/30/41/55/267304155.db2.gz SEIJOXPMOFIJSU-NSHDSACASA-N 1 2 344.362 2.271 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nc(C(F)(F)F)ccc1C#N ZINC000414128475 267304159 /nfs/dbraw/zinc/30/41/59/267304159.db2.gz SEIJOXPMOFIJSU-NSHDSACASA-N 1 2 344.362 2.271 20 30 EEEDLO N#Cc1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)ccc1F ZINC000288732358 268008010 /nfs/dbraw/zinc/00/80/10/268008010.db2.gz NSUARVPNTBWZLC-HNNXBMFYSA-N 1 2 332.379 2.026 20 30 EEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000279250133 268092331 /nfs/dbraw/zinc/09/23/31/268092331.db2.gz ACKXLPKOEBYZJE-MSOLQXFVSA-N 1 2 345.406 2.031 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3cncs3)CC2)cc1 ZINC000432058330 268218536 /nfs/dbraw/zinc/21/85/36/268218536.db2.gz WLMDEUZVQRANSY-UHFFFAOYSA-N 1 2 340.452 2.292 20 30 EEEDLO N#Cc1ccccc1N1CCN(c2nc(N)c3ccccc3[nH+]2)CC1 ZINC000301852646 268276752 /nfs/dbraw/zinc/27/67/52/268276752.db2.gz BQZVOODVJCHMDA-UHFFFAOYSA-N 1 2 330.395 2.410 20 30 EEEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCOc2c(F)cccc2C1 ZINC000528491540 268301510 /nfs/dbraw/zinc/30/15/10/268301510.db2.gz ZQRUMHFLWNBXCO-MRXNPFEDSA-N 1 2 342.370 2.332 20 30 EEEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCOc2c(F)cccc2C1 ZINC000528491540 268301512 /nfs/dbraw/zinc/30/15/12/268301512.db2.gz ZQRUMHFLWNBXCO-MRXNPFEDSA-N 1 2 342.370 2.332 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2ccc(F)cc2C#N)CCO1 ZINC000275402375 269113179 /nfs/dbraw/zinc/11/31/79/269113179.db2.gz BZMRKLXNAJPOMP-BBRMVZONSA-N 1 2 343.362 2.473 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000279847259 269310518 /nfs/dbraw/zinc/31/05/18/269310518.db2.gz RWVHUOQXZLIVEZ-CUYVQJCZSA-N 1 2 343.427 2.154 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000279847259 269310521 /nfs/dbraw/zinc/31/05/21/269310521.db2.gz RWVHUOQXZLIVEZ-CUYVQJCZSA-N 1 2 343.427 2.154 20 30 EEEDLO C#CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)OC ZINC000497070998 277698062 /nfs/dbraw/zinc/69/80/62/277698062.db2.gz IJRUMTRAZRZJKG-KKUMJFAQSA-N 1 2 338.448 2.319 20 30 EEEDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)S1 ZINC000266040570 278834760 /nfs/dbraw/zinc/83/47/60/278834760.db2.gz USCLXAAAVZAIHR-LLVKDONJSA-N 1 2 331.401 2.080 20 30 EEEDLO CCc1[nH+]c2ccccc2n1Cc1noc([C@@H](C)n2cnc(C#N)n2)n1 ZINC000350247336 312318915 /nfs/dbraw/zinc/31/89/15/312318915.db2.gz HCIZNTKTYQCCMW-LLVKDONJSA-N 1 2 348.370 2.102 20 30 EEEDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)c1 ZINC000559259537 318743106 /nfs/dbraw/zinc/74/31/06/318743106.db2.gz FIQFFNSPCRPRQL-MRXNPFEDSA-N 1 2 349.438 2.411 20 30 EEEDLO N#Cc1cc(F)c(NCC2([NH+]3CCOCC3)CCOCC2)c(F)c1 ZINC000563316369 318994899 /nfs/dbraw/zinc/99/48/99/318994899.db2.gz QNXWBBDCOOHYPM-UHFFFAOYSA-N 1 2 337.370 2.130 20 30 EEEDLO C[C@H]1CCC[C@@H](Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)C1 ZINC000563437731 319011673 /nfs/dbraw/zinc/01/16/73/319011673.db2.gz BLCRJXUGHBSNQB-JKSUJKDBSA-N 1 2 329.444 2.378 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2ccc(C#N)s2)CC1(C)C ZINC000574031823 319988487 /nfs/dbraw/zinc/98/84/87/319988487.db2.gz IFRLVKDPDVNIAZ-GFCCVEGCSA-N 1 2 336.442 2.125 20 30 EEEDLO N#Cc1ccnc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1Cl ZINC000336818292 465048482 /nfs/dbraw/zinc/04/84/82/465048482.db2.gz UWWGSFDBDMWZGZ-INIZCTEOSA-N 1 2 342.830 2.920 20 30 EEEDLO N#Cc1ccnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1Cl ZINC000336818292 465048487 /nfs/dbraw/zinc/04/84/87/465048487.db2.gz UWWGSFDBDMWZGZ-INIZCTEOSA-N 1 2 342.830 2.920 20 30 EEEDLO CNC(=O)CC1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000328616136 465072630 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CC1(C)COCC[N@@H+]1CCNC(=O)Nc1cnc2c(c1)CCCC2 ZINC000329312665 465295601 /nfs/dbraw/zinc/29/56/01/465295601.db2.gz CVSLOXABFMHWTC-UHFFFAOYSA-N 1 2 332.448 2.397 20 30 EEEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1cnc2c(c1)CCCC2 ZINC000329312665 465295605 /nfs/dbraw/zinc/29/56/05/465295605.db2.gz CVSLOXABFMHWTC-UHFFFAOYSA-N 1 2 332.448 2.397 20 30 EEEDLO Cc1ccc(C2CCN(C([O-])=[NH+][C@@H]3CCc4ncnn4C3)CC2)c[nH+]1 ZINC000329349640 465308036 /nfs/dbraw/zinc/30/80/36/465308036.db2.gz WMJFQKNCYRVNDT-MRXNPFEDSA-N 1 2 340.431 2.090 20 30 EEEDLO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329564379 465374284 /nfs/dbraw/zinc/37/42/84/465374284.db2.gz KCCXVUVGILMSIJ-VDNDLQMASA-N 1 2 343.427 2.086 20 30 EEEDLO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329564379 465374292 /nfs/dbraw/zinc/37/42/92/465374292.db2.gz KCCXVUVGILMSIJ-VDNDLQMASA-N 1 2 343.427 2.086 20 30 EEEDLO C[C@H]1C[N@H+](CCNC(=O)c2c(Cl)cc(C#N)cc2Cl)CCO1 ZINC000590628199 468291747 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CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000084116646 463579519 /nfs/dbraw/zinc/57/95/19/463579519.db2.gz VGGDZXKCIAHBJG-KRWDZBQOSA-N 1 2 339.443 2.472 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000084116646 463579523 /nfs/dbraw/zinc/57/95/23/463579523.db2.gz VGGDZXKCIAHBJG-KRWDZBQOSA-N 1 2 339.443 2.472 20 30 EEEDLO N#Cc1cccnc1N1CC[NH+](C[C@@H](O)c2ccccc2Cl)CC1 ZINC000058563161 463608613 /nfs/dbraw/zinc/60/86/13/463608613.db2.gz BDFMWURECYNBNT-QGZVFWFLSA-N 1 2 342.830 2.462 20 30 EEEDLO Cc1oc(NC(=O)CN2CCC(n3cc[nH+]c3)CC2)c(C#N)c1C ZINC000109795325 463649223 /nfs/dbraw/zinc/64/92/23/463649223.db2.gz XUNOMWMHTDSNGH-UHFFFAOYSA-N 1 2 327.388 2.240 20 30 EEEDLO Cc1cc(N2CCN(C(=O)NCCCCC#N)CC2)nc(C(C)C)[nH+]1 ZINC000170887575 463733585 /nfs/dbraw/zinc/73/35/85/463733585.db2.gz HGZZPIHVQKUGIX-UHFFFAOYSA-N 1 2 344.463 2.434 20 30 EEEDLO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)CC#N)CC2)c1C ZINC000185139034 463760259 /nfs/dbraw/zinc/76/02/59/463760259.db2.gz JZDCNQKNTJZYEG-UHFFFAOYSA-N 1 2 330.432 2.044 20 30 EEEDLO C=CC[N@H+](CCCOc1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000177741761 463780983 /nfs/dbraw/zinc/78/09/83/463780983.db2.gz RSWWJZJKLFIEGK-MRXNPFEDSA-N 1 2 334.441 2.002 20 30 EEEDLO C=CC[N@@H+](CCCOc1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000177741761 463780987 /nfs/dbraw/zinc/78/09/87/463780987.db2.gz RSWWJZJKLFIEGK-MRXNPFEDSA-N 1 2 334.441 2.002 20 30 EEEDLO CC(C)(C#N)c1ccc(NC(=O)NCC2([NH+]3CCOCC3)CC2)cc1 ZINC000278074893 463955301 /nfs/dbraw/zinc/95/53/01/463955301.db2.gz ONADJHIHLYHMCY-UHFFFAOYSA-N 1 2 342.443 2.474 20 30 EEEDLO CCc1cc(N)nc(S[C@@H]2CCN(c3sccc3C#N)C2=O)[nH+]1 ZINC000279072912 464032508 /nfs/dbraw/zinc/03/25/08/464032508.db2.gz KOCHCTPTYVAVOX-LLVKDONJSA-N 1 2 345.453 2.452 20 30 EEEDLO COC(=O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000179141047 464066037 /nfs/dbraw/zinc/06/60/37/464066037.db2.gz UVSXIDAZNGSWEZ-GFCCVEGCSA-N 1 2 335.429 2.203 20 30 EEEDLO COC(=O)C[C@H]1CCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000179141047 464066042 /nfs/dbraw/zinc/06/60/42/464066042.db2.gz UVSXIDAZNGSWEZ-GFCCVEGCSA-N 1 2 335.429 2.203 20 30 EEEDLO C#C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1)C(C)(C)C ZINC000289115777 464067420 /nfs/dbraw/zinc/06/74/20/464067420.db2.gz QKTLVPOQHSLDCV-GDBMZVCRSA-N 1 2 349.500 2.469 20 30 EEEDLO CCc1c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccn1C ZINC000289787768 464095272 /nfs/dbraw/zinc/09/52/72/464095272.db2.gz LLTQRFBFUJFUED-UHFFFAOYSA-N 1 2 336.439 2.417 20 30 EEEDLO CC(C)OCc1nc([C@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)no1 ZINC000289835170 464097866 /nfs/dbraw/zinc/09/78/66/464097866.db2.gz JWBKATANCIFOLL-WFASDCNBSA-N 1 2 330.388 2.250 20 30 EEEDLO C#CCCCCC(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000187152944 464102368 /nfs/dbraw/zinc/10/23/68/464102368.db2.gz QLHDNFVLORKIMC-UHFFFAOYSA-N 1 2 341.455 2.483 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000523439608 468393648 /nfs/dbraw/zinc/39/36/48/468393648.db2.gz FLUHPVCJUCYFOB-OCCSQVGLSA-N 1 2 335.370 2.084 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000523439608 468393653 /nfs/dbraw/zinc/39/36/53/468393653.db2.gz FLUHPVCJUCYFOB-OCCSQVGLSA-N 1 2 335.370 2.084 20 30 EEEDLO C=CC[N@@H+](Cc1cn(C)nc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000179819782 464194603 /nfs/dbraw/zinc/19/46/03/464194603.db2.gz CYQAFMHSSRHEBF-KRWDZBQOSA-N 1 2 345.468 2.262 20 30 EEEDLO C=CC[N@H+](Cc1cn(C)nc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000179819782 464194606 /nfs/dbraw/zinc/19/46/06/464194606.db2.gz CYQAFMHSSRHEBF-KRWDZBQOSA-N 1 2 345.468 2.262 20 30 EEEDLO CC(C)[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1nc(C2CC2)no1 ZINC000179829060 464196008 /nfs/dbraw/zinc/19/60/08/464196008.db2.gz HEHXRICFWVJTKJ-YOEHRIQHSA-N 1 2 333.436 2.288 20 30 EEEDLO NC(=[NH+]O[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1CCCO1 ZINC000284612872 464262744 /nfs/dbraw/zinc/26/27/44/464262744.db2.gz ZCKJHGYJTNFKKD-ZIAGYGMSSA-N 1 2 337.807 2.303 20 30 EEEDLO COc1cc(-c2noc(CO[NH+]=C(N)[C@@H]3CCCO3)n2)ccc1C ZINC000284617053 464264750 /nfs/dbraw/zinc/26/47/50/464264750.db2.gz ZIEGXKGUULKNSX-LBPRGKRZSA-N 1 2 332.360 2.021 20 30 EEEDLO Cc1cc(NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)nn1CCC#N ZINC000271094505 464279218 /nfs/dbraw/zinc/27/92/18/464279218.db2.gz WBKCGAKVKCWPKK-INMHGKMJSA-N 1 2 347.463 2.178 20 30 EEEDLO Cc1nc2n(n1)CC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C2 ZINC000271175144 464286018 /nfs/dbraw/zinc/28/60/18/464286018.db2.gz JDRQMLXJRAJDJJ-UHFFFAOYSA-N 1 2 347.426 2.380 20 30 EEEDLO Cc1nc2n(n1)CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C2 ZINC000271175144 464286026 /nfs/dbraw/zinc/28/60/26/464286026.db2.gz JDRQMLXJRAJDJJ-UHFFFAOYSA-N 1 2 347.426 2.380 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C)cc2F)C1=O ZINC000281314876 464411930 /nfs/dbraw/zinc/41/19/30/464411930.db2.gz KURGCGPOIIIDQE-XJKSGUPXSA-N 1 2 333.407 2.180 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(C)cc2F)C1=O ZINC000281314876 464411932 /nfs/dbraw/zinc/41/19/32/464411932.db2.gz KURGCGPOIIIDQE-XJKSGUPXSA-N 1 2 333.407 2.180 20 30 EEEDLO N#CCC[N@@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)CC1CC1 ZINC000174697348 464438573 /nfs/dbraw/zinc/43/85/73/464438573.db2.gz AHOGQDKDLOMCER-GOSISDBHSA-N 1 2 345.418 2.351 20 30 EEEDLO N#CCC[N@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)CC1CC1 ZINC000174697348 464438577 /nfs/dbraw/zinc/43/85/77/464438577.db2.gz AHOGQDKDLOMCER-GOSISDBHSA-N 1 2 345.418 2.351 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000281526772 464491462 /nfs/dbraw/zinc/49/14/62/464491462.db2.gz LFVKPLSPWSITEH-HZMVEIRTSA-N 1 2 332.448 2.457 20 30 EEEDLO COCCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000245885612 464521839 /nfs/dbraw/zinc/52/18/39/464521839.db2.gz NRZZOVMNUSLOFL-UKRRQHHQSA-N 1 2 349.431 2.223 20 30 EEEDLO COCCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000245885612 464521845 /nfs/dbraw/zinc/52/18/45/464521845.db2.gz NRZZOVMNUSLOFL-UKRRQHHQSA-N 1 2 349.431 2.223 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000294579603 464542838 /nfs/dbraw/zinc/54/28/38/464542838.db2.gz SXJVAAWTJCYYRO-IBGZPJMESA-N 1 2 342.443 2.410 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000281770486 464577959 /nfs/dbraw/zinc/57/79/59/464577959.db2.gz JNXHMXVFANQPMZ-YOEHRIQHSA-N 1 2 328.416 2.423 20 30 EEEDLO N#CCSc1cccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000176070519 464691981 /nfs/dbraw/zinc/69/19/81/464691981.db2.gz NBYZFBLBGINZKM-MRXNPFEDSA-N 1 2 345.468 2.239 20 30 EEEDLO CN1CCC[C@H]([NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000547771197 468420157 /nfs/dbraw/zinc/42/01/57/468420157.db2.gz RKCNZGQVKYGFHN-IRXDYDNUSA-N 1 2 346.862 2.143 20 30 EEEDLO C#CCN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)C1CCCC1 ZINC000176260636 464732982 /nfs/dbraw/zinc/73/29/82/464732982.db2.gz MEWRCQXUXUSIMO-UHFFFAOYSA-N 1 2 328.460 2.037 20 30 EEEDLO Cn1cccc1CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000266658603 464779850 /nfs/dbraw/zinc/77/98/50/464779850.db2.gz XATHIRSSSQSREK-UHFFFAOYSA-N 1 2 335.411 2.185 20 30 EEEDLO Cn1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1C#N ZINC000191171809 464789385 /nfs/dbraw/zinc/78/93/85/464789385.db2.gz ZFUCCIGULMUENG-UHFFFAOYSA-N 1 2 325.372 2.127 20 30 EEEDLO Cc1cc(C(=O)N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)c(C)o1 ZINC000191262845 464810359 /nfs/dbraw/zinc/81/03/59/464810359.db2.gz SJWQKMIWAUVGTM-UHFFFAOYSA-N 1 2 326.400 2.065 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)/C=C/c2cccc(C#N)c2)CCO1 ZINC000276289677 464879025 /nfs/dbraw/zinc/87/90/25/464879025.db2.gz NKOSQUIDBAFQNR-BHMLKFMNSA-N 1 2 336.395 2.341 20 30 EEEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cs1 ZINC000267489016 464934470 /nfs/dbraw/zinc/93/44/70/464934470.db2.gz ZBNNXAFSPFGPIN-WDMOLILDSA-N 1 2 338.477 2.366 20 30 EEEDLO CC(C)COC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccco1 ZINC000184177875 464952752 /nfs/dbraw/zinc/95/27/52/464952752.db2.gz QGXVLMPRXCZKNZ-MAUKXSAKSA-N 1 2 333.432 2.391 20 30 EEEDLO C#CC[C@@H](Nc1nc(NCCO)[nH+]c(NC(C)C)n1)c1ccccc1 ZINC000286615523 464980436 /nfs/dbraw/zinc/98/04/36/464980436.db2.gz VPUUZCNPPQLYFC-OAHLLOKOSA-N 1 2 340.431 2.273 20 30 EEEDLO C#CC[C@@H](Nc1nc(NCCO)nc(NC(C)C)[nH+]1)c1ccccc1 ZINC000286615523 464980447 /nfs/dbraw/zinc/98/04/47/464980447.db2.gz VPUUZCNPPQLYFC-OAHLLOKOSA-N 1 2 340.431 2.273 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@@H]2CC23CCCCC3)CCN1C ZINC000329945100 465483590 /nfs/dbraw/zinc/48/35/90/465483590.db2.gz FOWDMXRMNQKADC-LSDHHAIUSA-N 1 2 331.464 2.345 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)[C@@H](C)C1 ZINC000329969780 465492030 /nfs/dbraw/zinc/49/20/30/465492030.db2.gz UPSREWJEXJSTJX-UGUYLWEFSA-N 1 2 333.480 2.447 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000339761183 465495738 /nfs/dbraw/zinc/49/57/38/465495738.db2.gz NYAFJAFZIHIUJN-UHFFFAOYSA-N 1 2 328.334 2.156 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000339761183 465495743 /nfs/dbraw/zinc/49/57/43/465495743.db2.gz NYAFJAFZIHIUJN-UHFFFAOYSA-N 1 2 328.334 2.156 20 30 EEEDLO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC000329979700 465495987 /nfs/dbraw/zinc/49/59/87/465495987.db2.gz KCCXVUVGILMSIJ-ZFVVBOAOSA-N 1 2 343.427 2.086 20 30 EEEDLO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1 ZINC000329979700 465495993 /nfs/dbraw/zinc/49/59/93/465495993.db2.gz KCCXVUVGILMSIJ-ZFVVBOAOSA-N 1 2 343.427 2.086 20 30 EEEDLO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C#N)CC3)C2=O)cc1 ZINC000352270199 465512439 /nfs/dbraw/zinc/51/24/39/465512439.db2.gz DCSWJQBFRSRGFU-QGZVFWFLSA-N 1 2 341.411 2.343 20 30 EEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348333414 465555270 /nfs/dbraw/zinc/55/52/70/465555270.db2.gz YTTXDQLAWPABIE-YOEHRIQHSA-N 1 2 346.862 2.213 20 30 EEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348332964 465555558 /nfs/dbraw/zinc/55/55/58/465555558.db2.gz XDZSSEBUOPTRAE-DYVFJYSZSA-N 1 2 346.862 2.189 20 30 EEEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000352921216 465568380 /nfs/dbraw/zinc/56/83/80/465568380.db2.gz GLSNRWOXIYDNEU-HNNXBMFYSA-N 1 2 325.478 2.277 20 30 EEEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000352921216 465568384 /nfs/dbraw/zinc/56/83/84/465568384.db2.gz GLSNRWOXIYDNEU-HNNXBMFYSA-N 1 2 325.478 2.277 20 30 EEEDLO O=C(NCC#Cc1cccc(F)c1)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000554734064 468440128 /nfs/dbraw/zinc/44/01/28/468440128.db2.gz MOTVCICUFFZWAV-HNNXBMFYSA-N 1 2 326.375 2.251 20 30 EEEDLO COC[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccco1 ZINC000299068291 465585014 /nfs/dbraw/zinc/58/50/14/465585014.db2.gz SWHDGDQPWIOAJB-QWHCGFSZSA-N 1 2 331.397 2.295 20 30 EEEDLO C=CCCn1cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)nn1 ZINC000593944824 468441916 /nfs/dbraw/zinc/44/19/16/468441916.db2.gz MUPOTBJVCFJHST-UHFFFAOYSA-N 1 2 336.443 2.438 20 30 EEEDLO C=CCCn1cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)nn1 ZINC000593944824 468441920 /nfs/dbraw/zinc/44/19/20/468441920.db2.gz MUPOTBJVCFJHST-UHFFFAOYSA-N 1 2 336.443 2.438 20 30 EEEDLO N#CC1(F)CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000344430999 465615596 /nfs/dbraw/zinc/61/55/96/465615596.db2.gz BOLOSFNZFPBGIE-UHFFFAOYSA-N 1 2 327.363 2.410 20 30 EEEDLO CNC(=O)c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000371297577 465697449 /nfs/dbraw/zinc/69/74/49/465697449.db2.gz LYBRMSLXXPRSJD-LJQANCHMSA-N 1 2 335.407 2.491 20 30 EEEDLO CNC(=O)c1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000371297577 465697450 /nfs/dbraw/zinc/69/74/50/465697450.db2.gz LYBRMSLXXPRSJD-LJQANCHMSA-N 1 2 335.407 2.491 20 30 EEEDLO CC[C@H](C)n1nc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1C ZINC000330688858 465762730 /nfs/dbraw/zinc/76/27/30/465762730.db2.gz OSCVNUQAZLVWOA-ZDUSSCGKSA-N 1 2 337.468 2.599 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000345392966 465863247 /nfs/dbraw/zinc/86/32/47/465863247.db2.gz AEVYQOCFUBBSPE-PKOBYXMFSA-N 1 2 346.471 2.466 20 30 EEEDLO COc1ccc(C[N@H+](C)CC(=O)NCc2cccs2)cc1C#N ZINC000340205436 465874758 /nfs/dbraw/zinc/87/47/58/465874758.db2.gz IARJRBPVQWGJJD-UHFFFAOYSA-N 1 2 329.425 2.377 20 30 EEEDLO COc1ccc(C[N@@H+](C)CC(=O)NCc2cccs2)cc1C#N ZINC000340205436 465874761 /nfs/dbraw/zinc/87/47/61/465874761.db2.gz IARJRBPVQWGJJD-UHFFFAOYSA-N 1 2 329.425 2.377 20 30 EEEDLO C[NH+](C)Cc1nc(C2(NC(=O)CCCC#N)CCCCCC2)no1 ZINC000362606651 465877790 /nfs/dbraw/zinc/87/77/90/465877790.db2.gz QJBCEDGHGOVFFX-UHFFFAOYSA-N 1 2 333.436 2.491 20 30 EEEDLO CC(C)(C#N)c1ccc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000331063155 465918085 /nfs/dbraw/zinc/91/80/85/465918085.db2.gz OPGLROXYCBLOCO-UHFFFAOYSA-N 1 2 337.427 2.169 20 30 EEEDLO Cc1nccnc1N1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000366922748 466018460 /nfs/dbraw/zinc/01/84/60/466018460.db2.gz GQCIZGYKNKAXKD-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](Cn3nc(C)nc3C)C2)c1 ZINC000353636064 466027418 /nfs/dbraw/zinc/02/74/18/466027418.db2.gz FFODZAOCODWYRI-LJQANCHMSA-N 1 2 342.443 2.361 20 30 EEEDLO C=CCOc1cccc(C[N@H+]2CCO[C@@H](Cn3nc(C)nc3C)C2)c1 ZINC000353636064 466027421 /nfs/dbraw/zinc/02/74/21/466027421.db2.gz FFODZAOCODWYRI-LJQANCHMSA-N 1 2 342.443 2.361 20 30 EEEDLO CC#CCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000361521206 466069192 /nfs/dbraw/zinc/06/91/92/466069192.db2.gz ZMKIUVPCRNBLJJ-IRXDYDNUSA-N 1 2 349.862 2.424 20 30 EEEDLO CC#CCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000361521206 466069200 /nfs/dbraw/zinc/06/92/00/466069200.db2.gz ZMKIUVPCRNBLJJ-IRXDYDNUSA-N 1 2 349.862 2.424 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@H+](CCC(=O)NC3CCCC3)CCO2)c1 ZINC000367075299 466112400 /nfs/dbraw/zinc/11/24/00/466112400.db2.gz IJQZWYLMFQIGAU-GOSISDBHSA-N 1 2 327.428 2.380 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@@H+](CCC(=O)NC3CCCC3)CCO2)c1 ZINC000367075299 466112405 /nfs/dbraw/zinc/11/24/05/466112405.db2.gz IJQZWYLMFQIGAU-GOSISDBHSA-N 1 2 327.428 2.380 20 30 EEEDLO Cc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1OCC(F)F ZINC000580829267 468484178 /nfs/dbraw/zinc/48/41/78/468484178.db2.gz GXVDPNAYQAAKGU-AWEZNQCLSA-N 1 2 327.375 2.257 20 30 EEEDLO Cc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1OCC(F)F ZINC000580829267 468484182 /nfs/dbraw/zinc/48/41/82/468484182.db2.gz GXVDPNAYQAAKGU-AWEZNQCLSA-N 1 2 327.375 2.257 20 30 EEEDLO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000331933511 466312287 /nfs/dbraw/zinc/31/22/87/466312287.db2.gz ORXRKUQTLDETKQ-INIZCTEOSA-N 1 2 340.471 2.123 20 30 EEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC000331933511 466312294 /nfs/dbraw/zinc/31/22/94/466312294.db2.gz ORXRKUQTLDETKQ-INIZCTEOSA-N 1 2 340.471 2.123 20 30 EEEDLO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000372415894 466363900 /nfs/dbraw/zinc/36/39/00/466363900.db2.gz KYMSKFIRUNSYRJ-CQSZACIVSA-N 1 2 333.395 2.465 20 30 EEEDLO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000372415894 466363907 /nfs/dbraw/zinc/36/39/07/466363907.db2.gz KYMSKFIRUNSYRJ-CQSZACIVSA-N 1 2 333.395 2.465 20 30 EEEDLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000340880085 466406051 /nfs/dbraw/zinc/40/60/51/466406051.db2.gz OYNLPWIKJNQVOY-QGZVFWFLSA-N 1 2 349.438 2.496 20 30 EEEDLO CC1(C#N)CC[NH+](CC(=O)Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000332164809 466423336 /nfs/dbraw/zinc/42/33/36/466423336.db2.gz KKYGFNXYWRAYGB-UHFFFAOYSA-N 1 2 340.427 2.378 20 30 EEEDLO COc1cc(C#N)ccc1C[N@H+](C)CC(=O)NCc1cccs1 ZINC000347240942 466502834 /nfs/dbraw/zinc/50/28/34/466502834.db2.gz ROCGEYXAXZJUJG-UHFFFAOYSA-N 1 2 329.425 2.377 20 30 EEEDLO COc1cc(C#N)ccc1C[N@@H+](C)CC(=O)NCc1cccs1 ZINC000347240942 466502839 /nfs/dbraw/zinc/50/28/39/466502839.db2.gz ROCGEYXAXZJUJG-UHFFFAOYSA-N 1 2 329.425 2.377 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000341001057 466502875 /nfs/dbraw/zinc/50/28/75/466502875.db2.gz SIOKIRCPTNSGGU-UHFFFAOYSA-N 1 2 332.444 2.487 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000341001057 466502881 /nfs/dbraw/zinc/50/28/81/466502881.db2.gz SIOKIRCPTNSGGU-UHFFFAOYSA-N 1 2 332.444 2.487 20 30 EEEDLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000332732441 466558068 /nfs/dbraw/zinc/55/80/68/466558068.db2.gz WIPXZOYVTXDVIY-IFXJQAMLSA-N 1 2 329.444 2.496 20 30 EEEDLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000332732441 466558073 /nfs/dbraw/zinc/55/80/73/466558073.db2.gz WIPXZOYVTXDVIY-IFXJQAMLSA-N 1 2 329.444 2.496 20 30 EEEDLO N#CCCC[NH+]1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000367980482 466564595 /nfs/dbraw/zinc/56/45/95/466564595.db2.gz FDRXCFSSXVBKOH-IBGZPJMESA-N 1 2 340.471 2.099 20 30 EEEDLO COc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)ccc1C#N ZINC000569536285 468504178 /nfs/dbraw/zinc/50/41/78/468504178.db2.gz WMJWOUPNNQYNEJ-UHFFFAOYSA-N 1 2 333.395 2.156 20 30 EEEDLO CC(C)(C#N)c1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000373503618 466826275 /nfs/dbraw/zinc/82/62/75/466826275.db2.gz TUPUNVICVUVGKT-KRWDZBQOSA-N 1 2 327.428 2.034 20 30 EEEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCOc1ccccc1C#N ZINC000377445186 467059380 /nfs/dbraw/zinc/05/93/80/467059380.db2.gz PFMULESGOFHWCM-SFHVURJKSA-N 1 2 335.407 2.110 20 30 EEEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCOc1ccccc1C#N ZINC000377445186 467059385 /nfs/dbraw/zinc/05/93/85/467059385.db2.gz PFMULESGOFHWCM-SFHVURJKSA-N 1 2 335.407 2.110 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425552790 467109657 /nfs/dbraw/zinc/10/96/57/467109657.db2.gz RACJUGKSFDHTQG-NVXWUHKLSA-N 1 2 335.835 2.210 20 30 EEEDLO N#C[C@H]1CC[C@@H](NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000425611619 467114986 /nfs/dbraw/zinc/11/49/86/467114986.db2.gz OXQQABSFOJEPFY-WMLDXEAASA-N 1 2 330.407 2.345 20 30 EEEDLO Cc1cc(N2CC[NH+](Cc3cccnc3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413030347 467157618 /nfs/dbraw/zinc/15/76/18/467157618.db2.gz CYCPUEVMGLNTSF-UHFFFAOYSA-N 1 2 337.383 2.492 20 30 EEEDLO C=CCC[C@H]1NC(=O)N(Cc2ccc(N3CCCCC3)[nH+]c2)C1=O ZINC000419921145 467267764 /nfs/dbraw/zinc/26/77/64/467267764.db2.gz HKWXPKKEXZDSQA-OAHLLOKOSA-N 1 2 328.416 2.459 20 30 EEEDLO CN(C(=O)Nc1ccn(CCC#N)n1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000432943337 467277909 /nfs/dbraw/zinc/27/79/09/467277909.db2.gz LNQDVPUICXHOLO-INIZCTEOSA-N 1 2 349.398 2.773 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000414169317 467384847 /nfs/dbraw/zinc/38/48/47/467384847.db2.gz VHLCBCQSAWYNJC-SNVBAGLBSA-N 1 2 348.186 2.487 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000414169317 467384849 /nfs/dbraw/zinc/38/48/49/467384849.db2.gz VHLCBCQSAWYNJC-SNVBAGLBSA-N 1 2 348.186 2.487 20 30 EEEDLO N#Cc1ccc(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)s1 ZINC000420612319 467434459 /nfs/dbraw/zinc/43/44/59/467434459.db2.gz UEXQVIBGMMAAEV-LBPRGKRZSA-N 1 2 329.429 2.231 20 30 EEEDLO N#Cc1ccc(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)s1 ZINC000420612319 467434464 /nfs/dbraw/zinc/43/44/64/467434464.db2.gz UEXQVIBGMMAAEV-LBPRGKRZSA-N 1 2 329.429 2.231 20 30 EEEDLO N#CCC1(CNC(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000431047214 467490850 /nfs/dbraw/zinc/49/08/50/467490850.db2.gz BKZJPRPVJJGTCL-UHFFFAOYSA-N 1 2 342.443 2.086 20 30 EEEDLO C=CC(C)(C)CNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000453883652 467552202 /nfs/dbraw/zinc/55/22/02/467552202.db2.gz VMJXRSBMMAUBAG-UHFFFAOYSA-N 1 2 326.400 2.354 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000457606527 467661520 /nfs/dbraw/zinc/66/15/20/467661520.db2.gz HOMAAHCGZSVWFY-KRWDZBQOSA-N 1 2 342.443 2.100 20 30 EEEDLO CCn1cc[nH+]c1/C=C\C(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000492674978 467710198 /nfs/dbraw/zinc/71/01/98/467710198.db2.gz KNKPUKIXVCODDC-ZNUVNQELSA-N 1 2 328.416 2.370 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496859882 467724192 /nfs/dbraw/zinc/72/41/92/467724192.db2.gz UPVJZLULENKGIE-UHFFFAOYSA-N 1 2 339.480 2.258 20 30 EEEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000450144571 467786887 /nfs/dbraw/zinc/78/68/87/467786887.db2.gz HKAUHGIEIOFIOE-UHFFFAOYSA-N 1 2 326.375 2.292 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000458384553 467821023 /nfs/dbraw/zinc/82/10/23/467821023.db2.gz ACDVIIUONDOTSD-DOMZBBRYSA-N 1 2 341.402 2.194 20 30 EEEDLO COCc1ccc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1C#N ZINC000529214639 467829002 /nfs/dbraw/zinc/82/90/02/467829002.db2.gz REZNEMHSGJIIES-CYBMUJFWSA-N 1 2 339.399 2.460 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1ccc(Br)o1 ZINC000493052775 467829329 /nfs/dbraw/zinc/82/93/29/467829329.db2.gz QJXBZQBOUJMWFZ-SCXUMTSISA-N 1 2 326.194 2.015 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000497221051 467891414 /nfs/dbraw/zinc/89/14/14/467891414.db2.gz SYWMGWSQSIAPPW-AWEZNQCLSA-N 1 2 339.480 2.256 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000497221051 467891417 /nfs/dbraw/zinc/89/14/17/467891417.db2.gz SYWMGWSQSIAPPW-AWEZNQCLSA-N 1 2 339.480 2.256 20 30 EEEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(C)c(F)c3)CC2)c1C#N ZINC000471820521 467976838 /nfs/dbraw/zinc/97/68/38/467976838.db2.gz MVIULZWJMHDTLV-UHFFFAOYSA-N 1 2 327.407 2.370 20 30 EEEDLO Cc1cc(C)n(Cc2cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2)n1 ZINC000515229323 467981112 /nfs/dbraw/zinc/98/11/12/467981112.db2.gz CHDFEVUYUVKWGD-LJQANCHMSA-N 1 2 339.443 2.122 20 30 EEEDLO Cc1cc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)ccc1C#N ZINC000488148764 468074271 /nfs/dbraw/zinc/07/42/71/468074271.db2.gz XXINICQIPHRJNE-ROUUACIJSA-N 1 2 348.468 2.035 20 30 EEEDLO Cc1cc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)ccc1C#N ZINC000488148764 468074272 /nfs/dbraw/zinc/07/42/72/468074272.db2.gz XXINICQIPHRJNE-ROUUACIJSA-N 1 2 348.468 2.035 20 30 EEEDLO CCOC(=O)Nc1ccc(NC(=O)Cc2c[nH+]cn2C)cc1C#N ZINC000495899282 468106728 /nfs/dbraw/zinc/10/67/28/468106728.db2.gz SDUMWBQSIKIDBX-UHFFFAOYSA-N 1 2 327.344 2.041 20 30 EEEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000495951687 468108754 /nfs/dbraw/zinc/10/87/54/468108754.db2.gz RIJYITOZUVPLBL-BPLDGKMQSA-N 1 2 349.479 2.479 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000575320338 468139892 /nfs/dbraw/zinc/13/98/92/468139892.db2.gz RAWVDFWSGVEGIW-ZDUSSCGKSA-N 1 2 344.293 2.187 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000566306399 468148976 /nfs/dbraw/zinc/14/89/76/468148976.db2.gz ODHDDWHLHXTUQS-SFHVURJKSA-N 1 2 348.422 2.384 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)CCC2 ZINC000489668590 468158266 /nfs/dbraw/zinc/15/82/66/468158266.db2.gz SJJCALIKODIRJC-ZDUSSCGKSA-N 1 2 348.403 2.058 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000576233570 468162079 /nfs/dbraw/zinc/16/20/79/468162079.db2.gz FKHBXRUYDWCOIC-MSOLQXFVSA-N 1 2 340.427 2.464 20 30 EEEDLO C[C@@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[NH+]1CC(C)C1 ZINC000576290733 468164073 /nfs/dbraw/zinc/16/40/73/468164073.db2.gz OFNKVYPRABIZJG-LBPRGKRZSA-N 1 2 343.818 2.676 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc3c(c2)sc(=O)n3C)n1 ZINC000490712050 468239280 /nfs/dbraw/zinc/23/92/80/468239280.db2.gz CUMXXSIZZLISJH-UHFFFAOYSA-N 1 2 340.452 2.452 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc3c(c2)sc(=O)n3C)n1 ZINC000490712050 468239282 /nfs/dbraw/zinc/23/92/82/468239282.db2.gz CUMXXSIZZLISJH-UHFFFAOYSA-N 1 2 340.452 2.452 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000570146549 468595688 /nfs/dbraw/zinc/59/56/88/468595688.db2.gz WPNBIGYNTIZOHF-OAHLLOKOSA-N 1 2 327.432 2.164 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC000583539302 468710484 /nfs/dbraw/zinc/71/04/84/468710484.db2.gz OKSGMVRGLUDYBS-GOSISDBHSA-N 1 2 333.391 2.338 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC000583539302 468710487 /nfs/dbraw/zinc/71/04/87/468710487.db2.gz OKSGMVRGLUDYBS-GOSISDBHSA-N 1 2 333.391 2.338 20 30 EEEDLO CC[N@H+](CC(=O)N1CC[C@](O)(CC#N)C1)Cc1ccccc1Cl ZINC000592853812 468805404 /nfs/dbraw/zinc/80/54/04/468805404.db2.gz SROFTZLXTZVWRT-QGZVFWFLSA-N 1 2 335.835 2.039 20 30 EEEDLO CC[N@@H+](CC(=O)N1CC[C@](O)(CC#N)C1)Cc1ccccc1Cl ZINC000592853812 468805406 /nfs/dbraw/zinc/80/54/06/468805406.db2.gz SROFTZLXTZVWRT-QGZVFWFLSA-N 1 2 335.835 2.039 20 30 EEEDLO COc1cccc(SCCN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000595331777 468814695 /nfs/dbraw/zinc/81/46/95/468814695.db2.gz COARXNJVDBHQBX-UHFFFAOYSA-N 1 2 349.500 2.335 20 30 EEEDLO COc1cccc(SCC[N@H+](CCC#N)CCN2CCOCC2)c1 ZINC000595331777 468814699 /nfs/dbraw/zinc/81/46/99/468814699.db2.gz COARXNJVDBHQBX-UHFFFAOYSA-N 1 2 349.500 2.335 20 30 EEEDLO COc1cccc(SCC[N@@H+](CCC#N)CCN2CCOCC2)c1 ZINC000595331777 468814703 /nfs/dbraw/zinc/81/47/03/468814703.db2.gz COARXNJVDBHQBX-UHFFFAOYSA-N 1 2 349.500 2.335 20 30 EEEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@H]1C ZINC000601383071 468850789 /nfs/dbraw/zinc/85/07/89/468850789.db2.gz KROMAGNSIAKEQE-OLZOCXBDSA-N 1 2 339.436 2.109 20 30 EEEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@H]1C ZINC000601383071 468850793 /nfs/dbraw/zinc/85/07/93/468850793.db2.gz KROMAGNSIAKEQE-OLZOCXBDSA-N 1 2 339.436 2.109 20 30 EEEDLO N#CCCN(C(=O)CN1CCn2c[nH+]cc2C1)c1cccc(Cl)c1 ZINC000595495411 468876139 /nfs/dbraw/zinc/87/61/39/468876139.db2.gz PYTRSRLZXRRHHX-UHFFFAOYSA-N 1 2 343.818 2.299 20 30 EEEDLO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595612000 468921561 /nfs/dbraw/zinc/92/15/61/468921561.db2.gz RDOHWOHCFMIGIY-CQSZACIVSA-N 1 2 329.400 2.062 20 30 EEEDLO COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595612000 468921566 /nfs/dbraw/zinc/92/15/66/468921566.db2.gz RDOHWOHCFMIGIY-CQSZACIVSA-N 1 2 329.400 2.062 20 30 EEEDLO C[C@H]1C[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CCC1(F)F ZINC000562228643 468924471 /nfs/dbraw/zinc/92/44/71/468924471.db2.gz JEDGORBCHKWKTI-FZMZJTMJSA-N 1 2 333.338 2.167 20 30 EEEDLO C[C@H]1C[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CCC1(F)F ZINC000562228643 468924473 /nfs/dbraw/zinc/92/44/73/468924473.db2.gz JEDGORBCHKWKTI-FZMZJTMJSA-N 1 2 333.338 2.167 20 30 EEEDLO COc1cc[nH+]c(CN2CCN(c3ccsc3C#N)CC2)c1OC ZINC000595629505 468930442 /nfs/dbraw/zinc/93/04/42/468930442.db2.gz DXDRXDOEWLSBAT-UHFFFAOYSA-N 1 2 344.440 2.354 20 30 EEEDLO CC[C@H](C#N)C(=O)N1CCN(Cc2c(C)[nH+]c3cc(C)ccn32)CC1 ZINC000593387360 468959866 /nfs/dbraw/zinc/95/98/66/468959866.db2.gz OTQHAIQPOZLVLO-MRXNPFEDSA-N 1 2 339.443 2.145 20 30 EEEDLO CC[C@H](C#N)C(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000593387360 468959871 /nfs/dbraw/zinc/95/98/71/468959871.db2.gz OTQHAIQPOZLVLO-MRXNPFEDSA-N 1 2 339.443 2.145 20 30 EEEDLO COCC[N@H+](CCC#N)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000610511715 468991193 /nfs/dbraw/zinc/99/11/93/468991193.db2.gz LZGYUBLYGVNEJE-PKOBYXMFSA-N 1 2 332.444 2.304 20 30 EEEDLO COCC[N@@H+](CCC#N)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000610511715 468991196 /nfs/dbraw/zinc/99/11/96/468991196.db2.gz LZGYUBLYGVNEJE-PKOBYXMFSA-N 1 2 332.444 2.304 20 30 EEEDLO CCc1cc(N)nc(SCCC(=O)Nc2cccc(C#N)c2)[nH+]1 ZINC000573068970 469052114 /nfs/dbraw/zinc/05/21/14/469052114.db2.gz PSQCIGQUJXBYCB-UHFFFAOYSA-N 1 2 327.413 2.614 20 30 EEEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000614924901 469096331 /nfs/dbraw/zinc/09/63/31/469096331.db2.gz OVTHMLQMFGDFOZ-ZIAGYGMSSA-N 1 2 335.370 2.084 20 30 EEEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000614924901 469096333 /nfs/dbraw/zinc/09/63/33/469096333.db2.gz OVTHMLQMFGDFOZ-ZIAGYGMSSA-N 1 2 335.370 2.084 20 30 EEEDLO N#Cc1nc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)sc1Cl ZINC000596163151 469181996 /nfs/dbraw/zinc/18/19/96/469181996.db2.gz SQQQXJARWIRYIO-JQWIXIFHSA-N 1 2 326.853 2.723 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(Br)c1F ZINC000563220308 469203198 /nfs/dbraw/zinc/20/31/98/469203198.db2.gz KPUATWCZPWNPKE-ZDUSSCGKSA-N 1 2 328.185 2.162 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CCC[C@@](C)(C#N)C2)cc1 ZINC000602136178 469209406 /nfs/dbraw/zinc/20/94/06/469209406.db2.gz QXKCXGHESQEIOL-HKUYNNGSSA-N 1 2 327.428 2.422 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CCC[C@@](C)(C#N)C2)cc1 ZINC000602136178 469209415 /nfs/dbraw/zinc/20/94/15/469209415.db2.gz QXKCXGHESQEIOL-HKUYNNGSSA-N 1 2 327.428 2.422 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)C1CC1 ZINC000564908333 469261989 /nfs/dbraw/zinc/26/19/89/469261989.db2.gz LVVYBZNMYHJSGE-MRXNPFEDSA-N 1 2 344.440 2.057 20 30 EEEDLO C[C@@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1cccc(C#N)c1 ZINC000596437495 469265689 /nfs/dbraw/zinc/26/56/89/469265689.db2.gz OPZQNZBUHRMFQI-RBSFLKMASA-N 1 2 330.432 2.028 20 30 EEEDLO C[C@@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1cccc(C#N)c1 ZINC000596437495 469265693 /nfs/dbraw/zinc/26/56/93/469265693.db2.gz OPZQNZBUHRMFQI-RBSFLKMASA-N 1 2 330.432 2.028 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)n1 ZINC000602442141 469318413 /nfs/dbraw/zinc/31/84/13/469318413.db2.gz ROTDCEHCUXIHIC-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)n1 ZINC000602442141 469318418 /nfs/dbraw/zinc/31/84/18/469318418.db2.gz ROTDCEHCUXIHIC-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO COC1CC[NH+](Cc2cn(Cc3ccc(C#N)cc3C)nn2)CC1 ZINC000603235019 469318798 /nfs/dbraw/zinc/31/87/98/469318798.db2.gz HUUXTSKQTRDSQQ-UHFFFAOYSA-N 1 2 325.416 2.117 20 30 EEEDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000599700556 469343093 /nfs/dbraw/zinc/34/30/93/469343093.db2.gz HQYIJSPBDAVFDX-HNNXBMFYSA-N 1 2 348.834 2.141 20 30 EEEDLO CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000599700556 469343096 /nfs/dbraw/zinc/34/30/96/469343096.db2.gz HQYIJSPBDAVFDX-HNNXBMFYSA-N 1 2 348.834 2.141 20 30 EEEDLO C[C@@H](CCC#N)C[NH+]1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000602599454 469379989 /nfs/dbraw/zinc/37/99/89/469379989.db2.gz PAEHBMSTZWYWOW-AWEZNQCLSA-N 1 2 333.457 2.003 20 30 EEEDLO C[C@@]1(C#N)CCC[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000612164047 469409348 /nfs/dbraw/zinc/40/93/48/469409348.db2.gz XENSUMJPTUWFPW-IBGZPJMESA-N 1 2 344.434 2.100 20 30 EEEDLO C[C@@]1(C#N)CCC[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000612164047 469409352 /nfs/dbraw/zinc/40/93/52/469409352.db2.gz XENSUMJPTUWFPW-IBGZPJMESA-N 1 2 344.434 2.100 20 30 EEEDLO Cc1[nH+]c2ccc(C(=O)N3CCN([C@@H](C#N)C(C)C)CC3)cc2n1C ZINC000619433405 469604528 /nfs/dbraw/zinc/60/45/28/469604528.db2.gz ZWIDLFYPUCSICS-SFHVURJKSA-N 1 2 339.443 2.188 20 30 EEEDLO N#C[C@H](c1ccc(F)cc1)N1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000613264321 469672424 /nfs/dbraw/zinc/67/24/24/469672424.db2.gz DHNLQVQRUJVLAE-MRXNPFEDSA-N 1 2 336.374 2.484 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000609485463 469931933 /nfs/dbraw/zinc/93/19/33/469931933.db2.gz QPYWEXPKBABLBC-QGZVFWFLSA-N 1 2 333.407 2.358 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000609485201 469932244 /nfs/dbraw/zinc/93/22/44/469932244.db2.gz LBRVHHHEOXONIT-HKUYNNGSSA-N 1 2 342.487 2.199 20 30 EEEDLO N#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1ccccc1Cl ZINC000609594254 469945086 /nfs/dbraw/zinc/94/50/86/469945086.db2.gz CXAIWMMUFUJSBG-AWEZNQCLSA-N 1 2 338.758 2.310 20 30 EEEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000610079632 469979600 /nfs/dbraw/zinc/97/96/00/469979600.db2.gz BLWVMWMGQWWZLT-ZDUSSCGKSA-N 1 2 327.306 2.150 20 30 EEEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000610079632 469979605 /nfs/dbraw/zinc/97/96/05/469979605.db2.gz BLWVMWMGQWWZLT-ZDUSSCGKSA-N 1 2 327.306 2.150 20 30 EEEDLO C=CCCn1cc(C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)nn1 ZINC000644716166 471018577 /nfs/dbraw/zinc/01/85/77/471018577.db2.gz WNZLVATYFXOPRI-OAHLLOKOSA-N 1 2 345.834 2.294 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@@H]2C[C@H](C)N(c3ccccc3)C2=O)nn1 ZINC000657377187 471119002 /nfs/dbraw/zinc/11/90/02/471119002.db2.gz NNPVHIYYPKLDHL-WMLDXEAASA-N 1 2 325.416 2.138 20 30 EEEDLO C=CCCn1cc(CNc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)nn1 ZINC000656768368 471836564 /nfs/dbraw/zinc/83/65/64/471836564.db2.gz JOIVEZOROHKRBB-HUUCEWRRSA-N 1 2 342.447 2.475 20 30 EEEDLO C#C[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000365690786 527341280 /nfs/dbraw/zinc/34/12/80/527341280.db2.gz WBIOIMUJVSMXRE-RCBQFDQVSA-N 1 2 335.835 2.033 20 30 EEEDLO C#C[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000365690786 527341288 /nfs/dbraw/zinc/34/12/88/527341288.db2.gz WBIOIMUJVSMXRE-RCBQFDQVSA-N 1 2 335.835 2.033 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000416242959 527432778 /nfs/dbraw/zinc/43/27/78/527432778.db2.gz GWXFCORIKJCZSF-AWEZNQCLSA-N 1 2 339.439 2.280 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000416242959 527432783 /nfs/dbraw/zinc/43/27/83/527432783.db2.gz GWXFCORIKJCZSF-AWEZNQCLSA-N 1 2 339.439 2.280 20 30 EEEDLO C#Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)nc1 ZINC000728817552 576533211 /nfs/dbraw/zinc/53/32/11/576533211.db2.gz NVFDWCNVFXXGKH-UHFFFAOYSA-N 1 2 334.423 2.063 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 ZINC000730097161 576714363 /nfs/dbraw/zinc/71/43/63/576714363.db2.gz DYBQEYKNNYFNFF-SFHVURJKSA-N 1 2 348.406 2.370 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 ZINC000730097161 576714365 /nfs/dbraw/zinc/71/43/65/576714365.db2.gz DYBQEYKNNYFNFF-SFHVURJKSA-N 1 2 348.406 2.370 20 30 EEEDLO N#Cc1cccnc1NCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000730121816 576717483 /nfs/dbraw/zinc/71/74/83/576717483.db2.gz BAVZZBUHSMPNNC-CQSZACIVSA-N 1 2 339.403 2.025 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)NC2CCCCCCC2)CC1 ZINC000731845637 577127582 /nfs/dbraw/zinc/12/75/82/577127582.db2.gz CISQCRLQHQCTHJ-SFHVURJKSA-N 1 2 334.508 2.381 20 30 EEEDLO C=CC[N@@H+](CN1C(=O)C(=O)N([C@H](C)c2ccccc2)C1=O)C1CC1 ZINC000771640740 577223103 /nfs/dbraw/zinc/22/31/03/577223103.db2.gz JPRTWEDPQZOZAG-CYBMUJFWSA-N 1 2 327.384 2.146 20 30 EEEDLO C=CC[N@H+](CN1C(=O)C(=O)N([C@H](C)c2ccccc2)C1=O)C1CC1 ZINC000771640740 577223104 /nfs/dbraw/zinc/22/31/04/577223104.db2.gz JPRTWEDPQZOZAG-CYBMUJFWSA-N 1 2 327.384 2.146 20 30 EEEDLO C=CC[N@H+](CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)C1CC1 ZINC000771641956 577223121 /nfs/dbraw/zinc/22/31/21/577223121.db2.gz OIABIGLLIKIPSG-UHFFFAOYSA-N 1 2 331.416 2.276 20 30 EEEDLO C=CC[N@@H+](CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)C1CC1 ZINC000771641956 577223122 /nfs/dbraw/zinc/22/31/22/577223122.db2.gz OIABIGLLIKIPSG-UHFFFAOYSA-N 1 2 331.416 2.276 20 30 EEEDLO C#CCOc1ccccc1CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000734162440 577281903 /nfs/dbraw/zinc/28/19/03/577281903.db2.gz LJCIBBJVISVTFV-UHFFFAOYSA-N 1 2 348.406 2.388 20 30 EEEDLO COc1ccc(C(=O)NC(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000775335266 577435233 /nfs/dbraw/zinc/43/52/33/577435233.db2.gz GVMQRLXLEUPRNS-CYBMUJFWSA-N 1 2 337.379 2.174 20 30 EEEDLO Nc1ncccc1C=[NH+]Nc1nc(-c2ccccn2)nc2c1CCC2 ZINC000764698092 577486814 /nfs/dbraw/zinc/48/68/14/577486814.db2.gz GDWRJXLHIACKRB-UHFFFAOYSA-N 1 2 331.383 2.451 20 30 EEEDLO 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/nfs/dbraw/zinc/34/89/57/601348957.db2.gz QTKIOQVCUFBYIL-GOSISDBHSA-N 1 2 345.443 2.163 20 30 EEEDLO C=CC[C@@H]1CCN1C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000890555281 674767792 /nfs/dbraw/zinc/76/77/92/674767792.db2.gz HDZOQAUPCJWUGQ-MRXNPFEDSA-N 1 2 330.428 2.239 20 30 EEEDLO C=CC[C@@H]1CCN1C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000890555281 674767797 /nfs/dbraw/zinc/76/77/97/674767797.db2.gz HDZOQAUPCJWUGQ-MRXNPFEDSA-N 1 2 330.428 2.239 20 30 EEEDLO C[C@H](NC(=O)[C@H]1CCOC1)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000969370156 674908211 /nfs/dbraw/zinc/90/82/11/674908211.db2.gz JYYOFPRDZDZZGV-HOCLYGCPSA-N 1 2 346.858 2.165 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]([NH2+]Cc3noc(C4CCC4)n3)C2)C1 ZINC001020563739 675142208 /nfs/dbraw/zinc/14/22/08/675142208.db2.gz VDBJDUAUNNRCMF-HDJSIYSDSA-N 1 2 330.432 2.430 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cn3c(cccc3C)n2)C1 ZINC000970852965 676198134 /nfs/dbraw/zinc/19/81/34/676198134.db2.gz BFMLKMFNYJULFA-ZDUSSCGKSA-N 1 2 332.835 2.445 20 30 EEEDLO 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20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1CNC(=O)c1cccnn1 ZINC001024728975 681389645 /nfs/dbraw/zinc/38/96/45/681389645.db2.gz IZWWVJYDFAMVMH-KRWDZBQOSA-N 1 2 335.411 2.133 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccnn1 ZINC001024728975 681389649 /nfs/dbraw/zinc/38/96/49/681389649.db2.gz IZWWVJYDFAMVMH-KRWDZBQOSA-N 1 2 335.411 2.133 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+](C/C(Cl)=C\Cl)C2)c1 ZINC001028469621 681510210 /nfs/dbraw/zinc/51/02/10/681510210.db2.gz BQJNRHOKCKDYJT-SUWUYWEISA-N 1 2 327.215 2.257 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+](C/C(Cl)=C\Cl)C2)c1 ZINC001028469621 681510213 /nfs/dbraw/zinc/51/02/13/681510213.db2.gz BQJNRHOKCKDYJT-SUWUYWEISA-N 1 2 327.215 2.257 20 30 EEEDLO Cc1nc(C[N@@H+]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)oc1C ZINC000973009881 681844824 /nfs/dbraw/zinc/84/48/24/681844824.db2.gz LAMNSQGIDLDGBY-HNNXBMFYSA-N 1 2 341.415 2.132 20 30 EEEDLO Cc1nc(C[N@H+]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)oc1C ZINC000973009881 681844834 /nfs/dbraw/zinc/84/48/34/681844834.db2.gz LAMNSQGIDLDGBY-HNNXBMFYSA-N 1 2 341.415 2.132 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC000937406504 682916733 /nfs/dbraw/zinc/91/67/33/682916733.db2.gz ASYSKSHWPWBUEI-HOTGVXAUSA-N 1 2 344.459 2.250 20 30 EEEDLO Cc1cc(N[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)nc(C(C)C)[nH+]1 ZINC001059186443 683123210 /nfs/dbraw/zinc/12/32/10/683123210.db2.gz NXDABDSPUSGWFK-HDJSIYSDSA-N 1 2 338.415 2.481 20 30 EEEDLO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001025663365 683226245 /nfs/dbraw/zinc/22/62/45/683226245.db2.gz FYHDTTXWPAQKET-GHVFGFPKSA-N 1 2 328.843 2.394 20 30 EEEDLO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001025663365 683226248 /nfs/dbraw/zinc/22/62/48/683226248.db2.gz FYHDTTXWPAQKET-GHVFGFPKSA-N 1 2 328.843 2.394 20 30 EEEDLO Cc1nc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)co1 ZINC001029280755 683813425 /nfs/dbraw/zinc/81/34/25/683813425.db2.gz YEENBVFFHXAJBZ-CALCHBBNSA-N 1 2 336.395 2.344 20 30 EEEDLO Cc1nc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)co1 ZINC001029280755 683813430 /nfs/dbraw/zinc/81/34/30/683813430.db2.gz YEENBVFFHXAJBZ-CALCHBBNSA-N 1 2 336.395 2.344 20 30 EEEDLO CCn1ccnc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029288899 683857454 /nfs/dbraw/zinc/85/74/54/683857454.db2.gz MHOCPALMXONFNP-KDURUIRLSA-N 1 2 348.450 2.244 20 30 EEEDLO CCn1ccnc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029288899 683857457 /nfs/dbraw/zinc/85/74/57/683857457.db2.gz MHOCPALMXONFNP-KDURUIRLSA-N 1 2 348.450 2.244 20 30 EEEDLO CO[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1)C1CC1 ZINC001029291678 683873434 /nfs/dbraw/zinc/87/34/34/683873434.db2.gz SDJBJWKAWORKPB-JKIFEVAISA-N 1 2 345.468 2.220 20 30 EEEDLO CO[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1)C1CC1 ZINC001029291678 683873439 /nfs/dbraw/zinc/87/34/39/683873439.db2.gz SDJBJWKAWORKPB-JKIFEVAISA-N 1 2 345.468 2.220 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)nnn1CC ZINC001029453243 684697098 /nfs/dbraw/zinc/69/70/98/684697098.db2.gz OSEJBYDTAGWVAQ-JTDSTZFVSA-N 1 2 345.491 2.384 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)nnn1CC ZINC001029453243 684697099 /nfs/dbraw/zinc/69/70/99/684697099.db2.gz OSEJBYDTAGWVAQ-JTDSTZFVSA-N 1 2 345.491 2.384 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(F)cn2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974472774 684963999 /nfs/dbraw/zinc/96/39/99/684963999.db2.gz ONPBKBAOZRMNQT-INIZCTEOSA-N 1 2 341.390 2.061 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(F)cn2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000974472774 684964000 /nfs/dbraw/zinc/96/40/00/684964000.db2.gz ONPBKBAOZRMNQT-INIZCTEOSA-N 1 2 341.390 2.061 20 30 EEEDLO CC1(C)C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cnco1 ZINC000974870409 685657095 /nfs/dbraw/zinc/65/70/95/685657095.db2.gz LAJLHQKDSGNTTH-QGZVFWFLSA-N 1 2 341.386 2.306 20 30 EEEDLO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cnco1 ZINC000974870409 685657100 /nfs/dbraw/zinc/65/71/00/685657100.db2.gz LAJLHQKDSGNTTH-QGZVFWFLSA-N 1 2 341.386 2.306 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC([N@@H+](C)Cc2ncnn2C)CC1 ZINC000985452870 686807682 /nfs/dbraw/zinc/80/76/82/686807682.db2.gz VUXSHNGTBPBCSN-UHFFFAOYSA-N 1 2 339.871 2.017 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC([N@H+](C)Cc2ncnn2C)CC1 ZINC000985452870 686807691 /nfs/dbraw/zinc/80/76/91/686807691.db2.gz VUXSHNGTBPBCSN-UHFFFAOYSA-N 1 2 339.871 2.017 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H](C[N@H+](C)Cc2nnnn2C(C)C)C1 ZINC001029826631 687220990 /nfs/dbraw/zinc/22/09/90/687220990.db2.gz SUOPLDOQHDYADS-MAUKXSAKSA-N 1 2 348.495 2.137 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nnnn2C(C)C)C1 ZINC001029826631 687220994 /nfs/dbraw/zinc/22/09/94/687220994.db2.gz SUOPLDOQHDYADS-MAUKXSAKSA-N 1 2 348.495 2.137 20 30 EEEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)c1ccon1 ZINC001027767065 694412954 /nfs/dbraw/zinc/41/29/54/694412954.db2.gz YAZILXVQVFCSEU-INIZCTEOSA-N 1 2 327.359 2.060 20 30 EEEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)c1ccon1 ZINC001027767065 694412959 /nfs/dbraw/zinc/41/29/59/694412959.db2.gz YAZILXVQVFCSEU-INIZCTEOSA-N 1 2 327.359 2.060 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@H]([NH2+]Cc2nc(CC)no2)C[C@@H]1C ZINC000988971054 691336655 /nfs/dbraw/zinc/33/66/55/691336655.db2.gz ZBOPNJACUKAUED-UONOGXRCSA-N 1 2 343.431 2.012 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[N@@H+](Cc2cc(C)no2)CC1 ZINC000989564509 692039731 /nfs/dbraw/zinc/03/97/31/692039731.db2.gz BOTJKBMHJJXSDK-UHFFFAOYSA-N 1 2 337.423 2.241 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[N@H+](Cc2cc(C)no2)CC1 ZINC000989564509 692039735 /nfs/dbraw/zinc/03/97/35/692039735.db2.gz BOTJKBMHJJXSDK-UHFFFAOYSA-N 1 2 337.423 2.241 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnc3c(cnn3C)c2)C(C)(C)C1 ZINC000977382019 692566930 /nfs/dbraw/zinc/56/69/30/692566930.db2.gz VONPHIBMQHYGAT-CQSZACIVSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnc3c(cnn3C)c2)C(C)(C)C1 ZINC000977382019 692566931 /nfs/dbraw/zinc/56/69/31/692566931.db2.gz VONPHIBMQHYGAT-CQSZACIVSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2-n2ccnn2)C1 ZINC001009753537 692771827 /nfs/dbraw/zinc/77/18/27/692771827.db2.gz FZTFONQZYXUIAO-AWEZNQCLSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2-n2ccnn2)C1 ZINC001009753537 692771828 /nfs/dbraw/zinc/77/18/28/692771828.db2.gz FZTFONQZYXUIAO-AWEZNQCLSA-N 1 2 345.834 2.214 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ncc(C)o3)C2)c1 ZINC001027568710 693096514 /nfs/dbraw/zinc/09/65/14/693096514.db2.gz QEFVCFRXERNGMP-QGZVFWFLSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ncc(C)o3)C2)c1 ZINC001027568710 693096516 /nfs/dbraw/zinc/09/65/16/693096516.db2.gz QEFVCFRXERNGMP-QGZVFWFLSA-N 1 2 338.411 2.096 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001027584999 693285473 /nfs/dbraw/zinc/28/54/73/693285473.db2.gz WYYLIAPTIVTWLB-BBWFWOEESA-N 1 2 347.459 2.305 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2nc(C)c(C)o2)C1 ZINC001027584999 693285478 /nfs/dbraw/zinc/28/54/78/693285478.db2.gz WYYLIAPTIVTWLB-BBWFWOEESA-N 1 2 347.459 2.305 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC000990778342 693717842 /nfs/dbraw/zinc/71/78/42/693717842.db2.gz UBKBZTSTPRACFX-CQSZACIVSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2csc(CC)n2)C1 ZINC001485540023 1191828456 /nfs/dbraw/zinc/82/84/56/1191828456.db2.gz QCUOHLFGVBNNSZ-NSHDSACASA-N 1 2 327.881 2.437 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3cnc(Cl)s3)C2)OCC1=O ZINC001272724706 1192276698 /nfs/dbraw/zinc/27/66/98/1192276698.db2.gz MZKJJKMDJAOXLC-OAHLLOKOSA-N 1 2 341.864 2.176 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3cnc(Cl)s3)C2)OCC1=O ZINC001272724706 1192276701 /nfs/dbraw/zinc/27/67/01/1192276701.db2.gz MZKJJKMDJAOXLC-OAHLLOKOSA-N 1 2 341.864 2.176 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ncoc1C(F)(F)F ZINC001480985455 1179428327 /nfs/dbraw/zinc/42/83/27/1179428327.db2.gz URAUNWUUACBHOH-UHFFFAOYSA-N 1 2 325.718 2.498 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ncoc1C(F)(F)F ZINC001480985455 1179428332 /nfs/dbraw/zinc/42/83/32/1179428332.db2.gz URAUNWUUACBHOH-UHFFFAOYSA-N 1 2 325.718 2.498 20 30 EEEDLO CCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1nc(-c2ccccc2)no1 ZINC001481132298 1179873137 /nfs/dbraw/zinc/87/31/37/1179873137.db2.gz JXYOMDHTOKZRJL-CQSZACIVSA-N 1 2 341.415 2.224 20 30 EEEDLO CCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1nc(-c2ccccc2)no1 ZINC001481132298 1179873150 /nfs/dbraw/zinc/87/31/50/1179873150.db2.gz JXYOMDHTOKZRJL-CQSZACIVSA-N 1 2 341.415 2.224 20 30 EEEDLO CC[C@@H](OC)C(=O)NCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001481160349 1179953150 /nfs/dbraw/zinc/95/31/50/1179953150.db2.gz BKLVXQACVWXYIS-QGZVFWFLSA-N 1 2 333.407 2.203 20 30 EEEDLO CC[C@@H](OC)C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001481160349 1179953154 /nfs/dbraw/zinc/95/31/54/1179953154.db2.gz BKLVXQACVWXYIS-QGZVFWFLSA-N 1 2 333.407 2.203 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC001481692390 1182219627 /nfs/dbraw/zinc/21/96/27/1182219627.db2.gz UYJIAYAKLUVUHI-DOTOQJQBSA-N 1 2 341.455 2.195 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC001481692390 1182219633 /nfs/dbraw/zinc/21/96/33/1182219633.db2.gz UYJIAYAKLUVUHI-DOTOQJQBSA-N 1 2 341.455 2.195 20 30 EEEDLO N#CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nc4ccccc4[nH]3)C[C@H]21 ZINC001271252502 1186107561 /nfs/dbraw/zinc/10/75/61/1186107561.db2.gz HGKZQLAMBKSSJQ-WMLDXEAASA-N 1 2 337.427 2.289 20 30 EEEDLO N#CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nc4ccccc4[nH]3)C[C@H]21 ZINC001271252502 1186107565 /nfs/dbraw/zinc/10/75/65/1186107565.db2.gz HGKZQLAMBKSSJQ-WMLDXEAASA-N 1 2 337.427 2.289 20 30 EEEDLO CCC1(CC)C[C@@H]1C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001271881886 1186576737 /nfs/dbraw/zinc/57/67/37/1186576737.db2.gz NCCPYONPTRRWDT-QGZVFWFLSA-N 1 2 340.471 2.367 20 30 EEEDLO C[NH+](C)Cc1nc(CSCCNc2cc(C#N)ncn2)cs1 ZINC001168109398 1186800600 /nfs/dbraw/zinc/80/06/00/1186800600.db2.gz PTZJYGIWZIQKQT-UHFFFAOYSA-N 1 2 334.474 2.212 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC([NH2+]Cc2nnsc2Cl)CC1 ZINC000996878397 1193462494 /nfs/dbraw/zinc/46/24/94/1193462494.db2.gz SOTNWFLKUUVKPM-UHFFFAOYSA-N 1 2 328.869 2.484 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC001088511512 1187111576 /nfs/dbraw/zinc/11/15/76/1187111576.db2.gz QSRVLYZTYXHKMZ-OCCSQVGLSA-N 1 2 341.415 2.391 20 30 EEEDLO CC(C)c1ocnc1C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC001088511512 1187111581 /nfs/dbraw/zinc/11/15/81/1187111581.db2.gz QSRVLYZTYXHKMZ-OCCSQVGLSA-N 1 2 341.415 2.391 20 30 EEEDLO Cc1nsc(N(C)CCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c1C#N ZINC001105580492 1188196689 /nfs/dbraw/zinc/19/66/89/1188196689.db2.gz BGAYVKIVMPCKRK-LBPRGKRZSA-N 1 2 346.460 2.066 20 30 EEEDLO CN(CCN(C)c1cccc(F)c1C#N)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001105595814 1188227908 /nfs/dbraw/zinc/22/79/08/1188227908.db2.gz LSNVPPWUWKBGCC-CHWSQXEVSA-N 1 2 341.390 2.119 20 30 EEEDLO CN(CCN(C)c1cccc(F)c1C#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001105595814 1188227911 /nfs/dbraw/zinc/22/79/11/1188227911.db2.gz LSNVPPWUWKBGCC-CHWSQXEVSA-N 1 2 341.390 2.119 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(CNC(C)=O)cc2)[C@H]1C ZINC001088713789 1188354705 /nfs/dbraw/zinc/35/47/05/1188354705.db2.gz JJFFQRZYEKYCNY-DYVFJYSZSA-N 1 2 349.862 2.268 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(CNC(C)=O)cc2)[C@H]1C ZINC001088713789 1188354708 /nfs/dbraw/zinc/35/47/08/1188354708.db2.gz JJFFQRZYEKYCNY-DYVFJYSZSA-N 1 2 349.862 2.268 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCCO2)[C@H]1C ZINC001088813889 1188561831 /nfs/dbraw/zinc/56/18/31/1188561831.db2.gz PKGACWUVHMAMEN-XBFCOCLRSA-N 1 2 338.839 2.206 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCCO2)[C@H]1C ZINC001088813889 1188561835 /nfs/dbraw/zinc/56/18/35/1188561835.db2.gz PKGACWUVHMAMEN-XBFCOCLRSA-N 1 2 338.839 2.206 20 30 EEEDLO N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cn3ccccc3n2)C1=O ZINC001272843221 1193572910 /nfs/dbraw/zinc/57/29/10/1193572910.db2.gz IUBOZOMCQLHKFB-IBGZPJMESA-N 1 2 337.427 2.205 20 30 EEEDLO N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2cn3ccccc3n2)C1=O ZINC001272843221 1193572912 /nfs/dbraw/zinc/57/29/12/1193572912.db2.gz IUBOZOMCQLHKFB-IBGZPJMESA-N 1 2 337.427 2.205 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]21 ZINC001076504788 1188958113 /nfs/dbraw/zinc/95/81/13/1188958113.db2.gz RIAJCJRYUSODEX-AZUAARDMSA-N 1 2 349.434 2.240 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@H+](Cc3coc(C)n3)C[C@H]21 ZINC001076504788 1188958116 /nfs/dbraw/zinc/95/81/16/1188958116.db2.gz RIAJCJRYUSODEX-AZUAARDMSA-N 1 2 349.434 2.240 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn4ccccc4n3)[C@@H]2C1 ZINC001076528612 1188970200 /nfs/dbraw/zinc/97/02/00/1188970200.db2.gz OQBGANNUORRLTG-DZGCQCFKSA-N 1 2 330.819 2.233 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cn4ccccc4n3)[C@@H]2C1 ZINC001076528612 1188970203 /nfs/dbraw/zinc/97/02/03/1188970203.db2.gz OQBGANNUORRLTG-DZGCQCFKSA-N 1 2 330.819 2.233 20 30 EEEDLO C#CCC1(C(=O)NCC[C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)CCC1 ZINC001076836718 1189188122 /nfs/dbraw/zinc/18/81/22/1189188122.db2.gz XFJOGNROFXERRQ-HOTGVXAUSA-N 1 2 344.459 2.039 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CC2=CCOCC2)[C@H]1C ZINC001088837568 1189325203 /nfs/dbraw/zinc/32/52/03/1189325203.db2.gz MYFGSJXHEGORFA-OCCSQVGLSA-N 1 2 343.265 2.211 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CC2=CCOCC2)[C@H]1C ZINC001088837568 1189325208 /nfs/dbraw/zinc/32/52/08/1189325208.db2.gz MYFGSJXHEGORFA-OCCSQVGLSA-N 1 2 343.265 2.211 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CCC[C@@H]1CNc1[nH+]cnc2c1cnn2C ZINC001105689594 1189347362 /nfs/dbraw/zinc/34/73/62/1189347362.db2.gz RCEBYUKUJVUBIH-HIFRSBDPSA-N 1 2 342.447 2.416 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)c(C#N)c(F)c1 ZINC001272660880 1190978597 /nfs/dbraw/zinc/97/85/97/1190978597.db2.gz YAYMLWZOGPESAS-IBGZPJMESA-N 1 2 343.377 2.427 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)c(C#N)c(F)c1 ZINC001272660880 1190978599 /nfs/dbraw/zinc/97/85/99/1190978599.db2.gz YAYMLWZOGPESAS-IBGZPJMESA-N 1 2 343.377 2.427 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c(C)n(C)nc2Cl)C1 ZINC001033618986 1194959744 /nfs/dbraw/zinc/95/97/44/1194959744.db2.gz IAIFHZDAWRQUDG-NSHDSACASA-N 1 2 331.247 2.281 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c(C)n(C)nc2Cl)C1 ZINC001033618986 1194959745 /nfs/dbraw/zinc/95/97/45/1194959745.db2.gz IAIFHZDAWRQUDG-NSHDSACASA-N 1 2 331.247 2.281 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCCOC2)C1 ZINC001033667845 1195033091 /nfs/dbraw/zinc/03/30/91/1195033091.db2.gz OLJVJCPFRPRTGH-ZIAGYGMSSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCCOC2)C1 ZINC001033667845 1195033096 /nfs/dbraw/zinc/03/30/96/1195033096.db2.gz OLJVJCPFRPRTGH-ZIAGYGMSSA-N 1 2 345.281 2.244 20 30 EEEDLO CCN(C(=O)c1cc(C)[nH]n1)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033768362 1195237963 /nfs/dbraw/zinc/23/79/63/1195237963.db2.gz YYKIFYZSHCXRIB-ZDUSSCGKSA-N 1 2 343.456 2.388 20 30 EEEDLO CCN(C(=O)c1cc(C)[nH]n1)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033768362 1195237968 /nfs/dbraw/zinc/23/79/68/1195237968.db2.gz YYKIFYZSHCXRIB-ZDUSSCGKSA-N 1 2 343.456 2.388 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033801564 1195302355 /nfs/dbraw/zinc/30/23/55/1195302355.db2.gz UQAAIOXYNAXUGA-MRXNPFEDSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033801564 1195302362 /nfs/dbraw/zinc/30/23/62/1195302362.db2.gz UQAAIOXYNAXUGA-MRXNPFEDSA-N 1 2 341.390 2.157 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cnn3ccc(C)nc23)C1 ZINC001034021736 1195674790 /nfs/dbraw/zinc/67/47/90/1195674790.db2.gz UZZXLFUKZCCNTG-CQSZACIVSA-N 1 2 347.850 2.327 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnn3ccc(C)nc23)C1 ZINC001034021736 1195674793 /nfs/dbraw/zinc/67/47/93/1195674793.db2.gz UZZXLFUKZCCNTG-CQSZACIVSA-N 1 2 347.850 2.327 20 30 EEEDLO O=C(N[C@H]1CCCC[N@H+](CC#Cc2ccccc2)C1)c1cnns1 ZINC001034121546 1195807006 /nfs/dbraw/zinc/80/70/06/1195807006.db2.gz RCSUCUBIHJGSQZ-INIZCTEOSA-N 1 2 340.452 2.174 20 30 EEEDLO O=C(N[C@H]1CCCC[N@@H+](CC#Cc2ccccc2)C1)c1cnns1 ZINC001034121546 1195807014 /nfs/dbraw/zinc/80/70/14/1195807014.db2.gz RCSUCUBIHJGSQZ-INIZCTEOSA-N 1 2 340.452 2.174 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)oc1C ZINC001034171522 1195894692 /nfs/dbraw/zinc/89/46/92/1195894692.db2.gz SNVACWGCKFLUPO-OAHLLOKOSA-N 1 2 341.415 2.276 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)oc1C ZINC001034171522 1195894695 /nfs/dbraw/zinc/89/46/95/1195894695.db2.gz SNVACWGCKFLUPO-OAHLLOKOSA-N 1 2 341.415 2.276 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001034197462 1195934006 /nfs/dbraw/zinc/93/40/06/1195934006.db2.gz KGMRUGLHGILMEV-INIZCTEOSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001034197462 1195934009 /nfs/dbraw/zinc/93/40/09/1195934009.db2.gz KGMRUGLHGILMEV-INIZCTEOSA-N 1 2 341.390 2.205 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cn3nccc3nc2C)C1 ZINC001034465544 1196245451 /nfs/dbraw/zinc/24/54/51/1196245451.db2.gz RAZOUEKABYASAJ-CQSZACIVSA-N 1 2 347.850 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cn3nccc3nc2C)C1 ZINC001034465544 1196245455 /nfs/dbraw/zinc/24/54/55/1196245455.db2.gz RAZOUEKABYASAJ-CQSZACIVSA-N 1 2 347.850 2.375 20 30 EEEDLO Cc1nc(NC[C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)ccc1C#N ZINC001108137368 1196503568 /nfs/dbraw/zinc/50/35/68/1196503568.db2.gz RLQZXPBJCNKFJQ-OLZOCXBDSA-N 1 2 326.404 2.026 20 30 EEEDLO N#Cc1ccc(N2CC[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cn1 ZINC001061774761 1196533005 /nfs/dbraw/zinc/53/30/05/1196533005.db2.gz SOHYMCUJOJODBR-CYBMUJFWSA-N 1 2 346.394 2.086 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](Nc2ncnc3c2C[N@H+](C)CC3)[C@@H]1C ZINC001090242104 1196556007 /nfs/dbraw/zinc/55/60/07/1196556007.db2.gz CSBHWAKMLLZWRM-HOCLYGCPSA-N 1 2 343.475 2.222 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)[C@@H]1C ZINC001090242104 1196556010 /nfs/dbraw/zinc/55/60/10/1196556010.db2.gz CSBHWAKMLLZWRM-HOCLYGCPSA-N 1 2 343.475 2.222 20 30 EEEDLO C[C@H](CNc1cccc(F)c1C#N)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001108148984 1196635819 /nfs/dbraw/zinc/63/58/19/1196635819.db2.gz ZQFROMDJNJRXRK-VXGBXAGGSA-N 1 2 329.379 2.216 20 30 EEEDLO C[C@H](CNc1cccc(F)c1C#N)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001108148984 1196635823 /nfs/dbraw/zinc/63/58/23/1196635823.db2.gz ZQFROMDJNJRXRK-VXGBXAGGSA-N 1 2 329.379 2.216 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@]1(C)C[N@H+](CCOCC(F)F)CCO1 ZINC001108149251 1196637480 /nfs/dbraw/zinc/63/74/80/1196637480.db2.gz SIYPVAOPLZFQFJ-YOEHRIQHSA-N 1 2 348.434 2.078 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@]1(C)C[N@@H+](CCOCC(F)F)CCO1 ZINC001108149251 1196637483 /nfs/dbraw/zinc/63/74/83/1196637483.db2.gz SIYPVAOPLZFQFJ-YOEHRIQHSA-N 1 2 348.434 2.078 20 30 EEEDLO Cc1nc(C[NH2+]Cc2ccc(CNC(=O)c3c[nH]c(C#N)c3)cc2)co1 ZINC001034814497 1196769195 /nfs/dbraw/zinc/76/91/95/1196769195.db2.gz GCEQIGKTFJJVIJ-UHFFFAOYSA-N 1 2 349.394 2.403 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cc(F)c(OC)c(OC)c2)C1=O ZINC001273206950 1197537287 /nfs/dbraw/zinc/53/72/87/1197537287.db2.gz UJMPZCORQUBOPV-LJQANCHMSA-N 1 2 346.402 2.043 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)c(OC)c(OC)c2)C1=O ZINC001273206950 1197537291 /nfs/dbraw/zinc/53/72/91/1197537291.db2.gz UJMPZCORQUBOPV-LJQANCHMSA-N 1 2 346.402 2.043 20 30 EEEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc(OCC)cc1C)C2 ZINC001273326382 1198185566 /nfs/dbraw/zinc/18/55/66/1198185566.db2.gz CWCCPXRULQQLPE-UHFFFAOYSA-N 1 2 344.455 2.383 20 30 EEEDLO CCC(C)(C)NC(=O)C[N@@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132034615 1199219227 /nfs/dbraw/zinc/21/92/27/1199219227.db2.gz SUPKSYNZIGATMM-HZPDHXFCSA-N 1 2 349.519 2.310 20 30 EEEDLO CCC(C)(C)NC(=O)C[N@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132034615 1199219229 /nfs/dbraw/zinc/21/92/29/1199219229.db2.gz SUPKSYNZIGATMM-HZPDHXFCSA-N 1 2 349.519 2.310 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2csc(C)c2C)CC[C@@H]1C ZINC001132053779 1199240102 /nfs/dbraw/zinc/24/01/02/1199240102.db2.gz FFQXWFGLMJGISC-SWLSCSKDSA-N 1 2 349.500 2.250 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2csc(C)c2C)CC[C@@H]1C ZINC001132053779 1199240103 /nfs/dbraw/zinc/24/01/03/1199240103.db2.gz FFQXWFGLMJGISC-SWLSCSKDSA-N 1 2 349.500 2.250 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001132234943 1199454234 /nfs/dbraw/zinc/45/42/34/1199454234.db2.gz HLIGEZHIVFDGLQ-DOTOQJQBSA-N 1 2 330.476 2.391 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001132234943 1199454238 /nfs/dbraw/zinc/45/42/38/1199454238.db2.gz HLIGEZHIVFDGLQ-DOTOQJQBSA-N 1 2 330.476 2.391 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCC2CCC2)C1 ZINC001132218979 1199457779 /nfs/dbraw/zinc/45/77/79/1199457779.db2.gz YRTLKFIOUWVFTO-HOCLYGCPSA-N 1 2 335.492 2.084 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NCC2CCC2)C1 ZINC001132218979 1199457780 /nfs/dbraw/zinc/45/77/80/1199457780.db2.gz YRTLKFIOUWVFTO-HOCLYGCPSA-N 1 2 335.492 2.084 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132257043 1199496737 /nfs/dbraw/zinc/49/67/37/1199496737.db2.gz SPYCFBVXKZESFE-JKSUJKDBSA-N 1 2 337.508 2.474 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132257043 1199496739 /nfs/dbraw/zinc/49/67/39/1199496739.db2.gz SPYCFBVXKZESFE-JKSUJKDBSA-N 1 2 337.508 2.474 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CNC(=O)c2ccccc2)CC[C@H]1C ZINC001132434138 1199703554 /nfs/dbraw/zinc/70/35/54/1199703554.db2.gz UIYIAXKWAQDCAE-ZBFHGGJFSA-N 1 2 349.862 2.138 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2ccccc2)CC[C@H]1C ZINC001132434138 1199703556 /nfs/dbraw/zinc/70/35/56/1199703556.db2.gz UIYIAXKWAQDCAE-ZBFHGGJFSA-N 1 2 349.862 2.138 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CNC(=O)c2ccccc2)CC[C@@H]1C ZINC001132434136 1199703584 /nfs/dbraw/zinc/70/35/84/1199703584.db2.gz UIYIAXKWAQDCAE-GOEBONIOSA-N 1 2 349.862 2.138 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CNC(=O)c2ccccc2)CC[C@@H]1C ZINC001132434136 1199703586 /nfs/dbraw/zinc/70/35/86/1199703586.db2.gz UIYIAXKWAQDCAE-GOEBONIOSA-N 1 2 349.862 2.138 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCCC(=O)NC)CC[C@@H]1C ZINC001132533763 1199848853 /nfs/dbraw/zinc/84/88/53/1199848853.db2.gz SAXLWQLRSIEENQ-KBPBESRZSA-N 1 2 329.872 2.014 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCCC(=O)NC)CC[C@@H]1C ZINC001132533763 1199848859 /nfs/dbraw/zinc/84/88/59/1199848859.db2.gz SAXLWQLRSIEENQ-KBPBESRZSA-N 1 2 329.872 2.014 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nc(-c2ccsc2)no1 ZINC001132577458 1199874436 /nfs/dbraw/zinc/87/44/36/1199874436.db2.gz VZGBNVYBPIEJPR-RYUDHWBXSA-N 1 2 334.445 2.462 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCC[NH2+]Cc1nnc(Cc2ccccc2)o1 ZINC001132663560 1199914004 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2.469 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)CC1 ZINC001015038567 1224672914 /nfs/dbraw/zinc/67/29/14/1224672914.db2.gz ILTHEZNKXKUMSG-NVXWUHKLSA-N 1 2 344.459 2.125 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001095328904 1202287455 /nfs/dbraw/zinc/28/74/55/1202287455.db2.gz RSACGZNHQHXSLE-CYBMUJFWSA-N 1 2 342.447 2.369 20 30 EEEDLO N#C[C@]1(F)CCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000890253206 1202463295 /nfs/dbraw/zinc/46/32/95/1202463295.db2.gz YFGLXOPJILXKEE-NVXWUHKLSA-N 1 2 327.363 2.272 20 30 EEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(C#N)cn2)CC1 ZINC000889225318 1204591030 /nfs/dbraw/zinc/59/10/30/1204591030.db2.gz NRUNZTYLZFIPSY-AWEZNQCLSA-N 1 2 336.399 2.259 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@](C)(CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001110848627 1204919190 /nfs/dbraw/zinc/91/91/90/1204919190.db2.gz MFSAORUFCKQAEB-GOSISDBHSA-N 1 2 346.479 2.253 20 30 EEEDLO Cc1nc(N2CCC(C)(CNC(=O)c3c[nH]c(C#N)c3)CC2)cc[nH+]1 ZINC001110879918 1204957498 /nfs/dbraw/zinc/95/74/98/1204957498.db2.gz XRTZUDOCYJAWMM-UHFFFAOYSA-N 1 2 338.415 2.021 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3nccc(C)c3Cl)C2)OCC1=O ZINC001274360874 1205007739 /nfs/dbraw/zinc/00/77/39/1205007739.db2.gz OFBZRJRHTKUDIQ-SFHVURJKSA-N 1 2 349.862 2.423 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3nccc(C)c3Cl)C2)OCC1=O ZINC001274360874 1205007742 /nfs/dbraw/zinc/00/77/42/1205007742.db2.gz OFBZRJRHTKUDIQ-SFHVURJKSA-N 1 2 349.862 2.423 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccnc(OC)c1Cl ZINC001274426429 1205032844 /nfs/dbraw/zinc/03/28/44/1205032844.db2.gz WYOQGSVMFNYSOI-GOSISDBHSA-N 1 2 347.846 2.334 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccnc(OC)c1Cl ZINC001274426429 1205032847 /nfs/dbraw/zinc/03/28/47/1205032847.db2.gz WYOQGSVMFNYSOI-GOSISDBHSA-N 1 2 347.846 2.334 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(OC)c(Cl)c2O)C1=O ZINC001274657169 1205119391 /nfs/dbraw/zinc/11/93/91/1205119391.db2.gz UWGYAUAWCAMDIR-GOSISDBHSA-N 1 2 348.830 2.254 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(OC)c(Cl)c2O)C1=O ZINC001274657169 1205119393 /nfs/dbraw/zinc/11/93/93/1205119393.db2.gz UWGYAUAWCAMDIR-GOSISDBHSA-N 1 2 348.830 2.254 20 30 EEEDLO Cc1cc(N2CCC(NC(=O)C#CC3CC3)CC2)nc(C(C)C)[nH+]1 ZINC001095412985 1205126811 /nfs/dbraw/zinc/12/68/11/1205126811.db2.gz SNZXCNODARKABL-UHFFFAOYSA-N 1 2 326.444 2.407 20 30 EEEDLO CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cn1 ZINC001275032426 1205239464 /nfs/dbraw/zinc/23/94/64/1205239464.db2.gz PXKKTGFPWHXKMV-HDICACEKSA-N 1 2 336.443 2.018 20 30 EEEDLO CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cn1 ZINC001275032426 1205239466 /nfs/dbraw/zinc/23/94/66/1205239466.db2.gz PXKKTGFPWHXKMV-HDICACEKSA-N 1 2 336.443 2.018 20 30 EEEDLO CC(C)NC(=O)N1CCC2(C[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001275357406 1205319489 /nfs/dbraw/zinc/31/94/89/1205319489.db2.gz FZAYDJMRNBOSEW-UHFFFAOYSA-N 1 2 330.407 2.323 20 30 EEEDLO Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)NC(C)C)C3)c(C#N)c1 ZINC001275615862 1205445973 /nfs/dbraw/zinc/44/59/73/1205445973.db2.gz BTPRVFIBWJCHPF-UHFFFAOYSA-N 1 2 326.444 2.492 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(Cc4ccc(F)cc4F)C3)C2)cc1C#N ZINC001275930410 1205592442 /nfs/dbraw/zinc/59/24/42/1205592442.db2.gz PKLOCTDLHZWJIP-UHFFFAOYSA-N 1 2 342.393 2.493 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1Cc3ccccc3O1)C2 ZINC001095713317 1205921514 /nfs/dbraw/zinc/92/15/14/1205921514.db2.gz PMIOXEUQVQUJDH-WBTNSWJXSA-N 1 2 332.831 2.464 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1Cc3ccccc3O1)C2 ZINC001095713317 1205921516 /nfs/dbraw/zinc/92/15/16/1205921516.db2.gz PMIOXEUQVQUJDH-WBTNSWJXSA-N 1 2 332.831 2.464 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)on2)C[C@H]1C ZINC000947002211 1206096291 /nfs/dbraw/zinc/09/62/91/1206096291.db2.gz YCFKWSQRYOLHQT-ZYHUDNBSSA-N 1 2 342.237 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)on2)C[C@H]1C ZINC000947002211 1206096293 /nfs/dbraw/zinc/09/62/93/1206096293.db2.gz YCFKWSQRYOLHQT-ZYHUDNBSSA-N 1 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O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cccc2nccn21 ZINC001015266202 1225008183 /nfs/dbraw/zinc/00/81/83/1225008183.db2.gz ZDXJGUFECHSXHS-GOSISDBHSA-N 1 2 344.418 2.190 20 30 EEEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)cs1)C2 ZINC001111102817 1208205083 /nfs/dbraw/zinc/20/50/83/1208205083.db2.gz WSQPNFCHWXEECS-MCIONIFRSA-N 1 2 338.860 2.386 20 30 EEEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)cs1)C2 ZINC001111102817 1208205084 /nfs/dbraw/zinc/20/50/84/1208205084.db2.gz WSQPNFCHWXEECS-MCIONIFRSA-N 1 2 338.860 2.386 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]([C@@H](C)Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001111223102 1208387318 /nfs/dbraw/zinc/38/73/18/1208387318.db2.gz IFBVOQUEJFHYRY-HIFRSBDPSA-N 1 2 346.479 2.251 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ncc(C)o3)[C@H](C)C2)nc1 ZINC000947943832 1208787422 /nfs/dbraw/zinc/78/74/22/1208787422.db2.gz OVTNLMKUHVWMOR-CZUORRHYSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncc(C)o3)[C@H](C)C2)nc1 ZINC000947943832 1208787425 /nfs/dbraw/zinc/78/74/25/1208787425.db2.gz OVTNLMKUHVWMOR-CZUORRHYSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nccs3)[C@H](C)C2)cn1 ZINC000947949504 1208790237 /nfs/dbraw/zinc/79/02/37/1208790237.db2.gz WNIQFCKAFVDOEU-CJNGLKHVSA-N 1 2 340.452 2.302 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nccs3)[C@H](C)C2)cn1 ZINC000947949504 1208790238 /nfs/dbraw/zinc/79/02/38/1208790238.db2.gz WNIQFCKAFVDOEU-CJNGLKHVSA-N 1 2 340.452 2.302 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(C)n(CC)c3C)CC2)C1 ZINC000949408582 1209671525 /nfs/dbraw/zinc/67/15/25/1209671525.db2.gz BBVDPXPLELJOPJ-UHFFFAOYSA-N 1 2 343.471 2.065 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc(C)n(CC)c3C)CC2)C1 ZINC000949408582 1209671526 /nfs/dbraw/zinc/67/15/26/1209671526.db2.gz BBVDPXPLELJOPJ-UHFFFAOYSA-N 1 2 343.471 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC001015392811 1225191693 /nfs/dbraw/zinc/19/16/93/1225191693.db2.gz QKVKVHXMNDTOPP-STQMWFEESA-N 1 2 340.880 2.055 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2c2nccs2)C1 ZINC001015392811 1225191696 /nfs/dbraw/zinc/19/16/96/1225191696.db2.gz QKVKVHXMNDTOPP-STQMWFEESA-N 1 2 340.880 2.055 20 30 EEEDLO N#Cc1cccc(CN2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)c1 ZINC000950433477 1210209677 /nfs/dbraw/zinc/20/96/77/1210209677.db2.gz HJPVOVQVZWPRLF-QGZVFWFLSA-N 1 2 349.438 2.046 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000950725323 1210373898 /nfs/dbraw/zinc/37/38/98/1210373898.db2.gz UQMPFUDKIRIHCN-UHFFFAOYSA-N 1 2 330.354 2.161 20 30 EEEDLO C=C(C)CCC(=O)N(CCO)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001111512805 1210401302 /nfs/dbraw/zinc/40/13/02/1210401302.db2.gz MXFDFWXHZNBMNZ-UHFFFAOYSA-N 1 2 332.448 2.252 20 30 EEEDLO C=CCCC(=O)N[C@@]1(CO)CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001111338230 1210510924 /nfs/dbraw/zinc/51/09/24/1210510924.db2.gz PPDLHYBUZAJKLI-IBGZPJMESA-N 1 2 346.475 2.322 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095842535 1210853117 /nfs/dbraw/zinc/85/31/17/1210853117.db2.gz PWKHKJWQWKGCKY-NJAFHUGGSA-N 1 2 335.411 2.125 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095842535 1210853120 /nfs/dbraw/zinc/85/31/20/1210853120.db2.gz PWKHKJWQWKGCKY-NJAFHUGGSA-N 1 2 335.411 2.125 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000954348036 1212170778 /nfs/dbraw/zinc/17/07/78/1212170778.db2.gz UMHWZAFOGXMZIV-UHFFFAOYSA-N 1 2 340.427 2.138 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)c2cocc2C)C1 ZINC001015516924 1225354974 /nfs/dbraw/zinc/35/49/74/1225354974.db2.gz QHFIHRRTXOMPJV-MRXNPFEDSA-N 1 2 339.395 2.473 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)c2cocc2C)C1 ZINC001015516924 1225354980 /nfs/dbraw/zinc/35/49/80/1225354980.db2.gz QHFIHRRTXOMPJV-MRXNPFEDSA-N 1 2 339.395 2.473 20 30 EEEDLO C=C1CCC(C(=O)N(C)C2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC000955220467 1212924105 /nfs/dbraw/zinc/92/41/05/1212924105.db2.gz PPRXFLCTDGYXJY-AWEZNQCLSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C1CCC(C(=O)N(C)C2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000955220467 1212924107 /nfs/dbraw/zinc/92/41/07/1212924107.db2.gz PPRXFLCTDGYXJY-AWEZNQCLSA-N 1 2 344.459 2.004 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)cs1 ZINC001015604536 1225453453 /nfs/dbraw/zinc/45/34/53/1225453453.db2.gz SADLDXQOTQPYRT-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)cs1 ZINC001015604536 1225453456 /nfs/dbraw/zinc/45/34/56/1225453456.db2.gz SADLDXQOTQPYRT-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCO[C@@H]([C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001114639664 1214001809 /nfs/dbraw/zinc/00/18/09/1214001809.db2.gz AIBKILWXRNAVKQ-UKRRQHHQSA-N 1 2 332.448 2.415 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CCC3CC3)CC2)C1 ZINC000956586041 1214106760 /nfs/dbraw/zinc/10/67/60/1214106760.db2.gz 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Cc1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)s1 ZINC001010352774 1223676673 /nfs/dbraw/zinc/67/66/73/1223676673.db2.gz HFAUBKUMQYLMPV-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)s1 ZINC001010352774 1223676674 /nfs/dbraw/zinc/67/66/74/1223676674.db2.gz HFAUBKUMQYLMPV-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)c(F)c1 ZINC001010476009 1223738909 /nfs/dbraw/zinc/73/89/09/1223738909.db2.gz AHYYOAIRNVZKQF-CBZIJGRNSA-N 1 2 327.403 2.434 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)c(F)c1 ZINC001010476009 1223738913 /nfs/dbraw/zinc/73/89/13/1223738913.db2.gz AHYYOAIRNVZKQF-CBZIJGRNSA-N 1 2 327.403 2.434 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3c(F)cccc3F)C2)c[nH]1 ZINC001010667478 1223842905 /nfs/dbraw/zinc/84/29/05/1223842905.db2.gz HHGWDJAWNBNRIS-GFCCVEGCSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3c(F)cccc3F)C2)c[nH]1 ZINC001010667478 1223842907 /nfs/dbraw/zinc/84/29/07/1223842907.db2.gz HHGWDJAWNBNRIS-GFCCVEGCSA-N 1 2 330.338 2.169 20 30 EEEDLO Cc1nscc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010683426 1223849459 /nfs/dbraw/zinc/84/94/59/1223849459.db2.gz NHSDQYJIDOSVFD-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1nscc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010683426 1223849462 /nfs/dbraw/zinc/84/94/62/1223849462.db2.gz NHSDQYJIDOSVFD-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2COc3ccccc32)C1 ZINC001016403564 1226442253 /nfs/dbraw/zinc/44/22/53/1226442253.db2.gz UNYUIMODMUFARU-PKOBYXMFSA-N 1 2 347.418 2.425 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COc3ccccc32)C1 ZINC001016403564 1226442257 /nfs/dbraw/zinc/44/22/57/1226442257.db2.gz UNYUIMODMUFARU-PKOBYXMFSA-N 1 2 347.418 2.425 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)C1CCOCC1 ZINC001016428132 1226468298 /nfs/dbraw/zinc/46/82/98/1226468298.db2.gz SEHVGYSLNIUUFI-HNAYVOBHSA-N 1 2 341.455 2.311 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1)C1CCOCC1 ZINC001016428132 1226468305 /nfs/dbraw/zinc/46/83/05/1226468305.db2.gz SEHVGYSLNIUUFI-HNAYVOBHSA-N 1 2 341.455 2.311 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(NC(=O)Cc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001014433808 1226611283 /nfs/dbraw/zinc/61/12/83/1226611283.db2.gz MZHMKVJOOFIFCC-AUUYWEPGSA-N 1 2 344.459 2.194 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cnn(C2CCC2)c1 ZINC001014441370 1226621598 /nfs/dbraw/zinc/62/15/98/1226621598.db2.gz QOMFMCRZBCNIKG-IBGZPJMESA-N 1 2 348.450 2.464 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cnn(C2CCC2)c1 ZINC001014441370 1226621601 /nfs/dbraw/zinc/62/16/01/1226621601.db2.gz QOMFMCRZBCNIKG-IBGZPJMESA-N 1 2 348.450 2.464 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2nnc(C)[nH]2)C1 ZINC001017179812 1227199927 /nfs/dbraw/zinc/19/99/27/1227199927.db2.gz PLJATMCLJLGKFE-HNNXBMFYSA-N 1 2 333.480 2.386 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2nnc(C)[nH]2)C1 ZINC001017179812 1227199930 /nfs/dbraw/zinc/19/99/30/1227199930.db2.gz PLJATMCLJLGKFE-HNNXBMFYSA-N 1 2 333.480 2.386 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]([NH2+]Cc2ncc(CC)o2)C1 ZINC001019708521 1229272793 /nfs/dbraw/zinc/27/27/93/1229272793.db2.gz LJRGIISADAYFKR-KRWDZBQOSA-N 1 2 337.423 2.152 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H](C)Nc2cc(C)[nH+]c(C3CC3)n2)cn1 ZINC001097961022 1248988230 /nfs/dbraw/zinc/98/82/30/1248988230.db2.gz MHIPWDWTBIAYGO-ZDUSSCGKSA-N 1 2 335.411 2.269 20 30 EEEDLO CCOC1CC(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)c(F)c2)C1 ZINC001038214534 1229690699 /nfs/dbraw/zinc/69/06/99/1229690699.db2.gz BKSKILOCSIPDKT-AQFXKWCLSA-N 1 2 345.418 2.203 20 30 EEEDLO CCOC1CC(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)c(F)c2)C1 ZINC001038214534 1229690703 /nfs/dbraw/zinc/69/07/03/1229690703.db2.gz BKSKILOCSIPDKT-AQFXKWCLSA-N 1 2 345.418 2.203 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc3c[nH]ccc-3n2)c1 ZINC001038416901 1229800531 /nfs/dbraw/zinc/80/05/31/1229800531.db2.gz QARQVFRWJJYWLD-KRWDZBQOSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc3c[nH]ccc-3n2)c1 ZINC001038416901 1229800538 /nfs/dbraw/zinc/80/05/38/1229800538.db2.gz QARQVFRWJJYWLD-KRWDZBQOSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1cccc(CN2CC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001038416901 1229800542 /nfs/dbraw/zinc/80/05/42/1229800542.db2.gz QARQVFRWJJYWLD-KRWDZBQOSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc3[nH]ccc3n2)c1 ZINC001038518880 1229889365 /nfs/dbraw/zinc/88/93/65/1229889365.db2.gz QRIVKJKPZONOOK-INIZCTEOSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc3[nH]ccc3n2)c1 ZINC001038518880 1229889368 /nfs/dbraw/zinc/88/93/68/1229889368.db2.gz QRIVKJKPZONOOK-INIZCTEOSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc3nonc3c2)c1 ZINC001038659966 1229957355 /nfs/dbraw/zinc/95/73/55/1229957355.db2.gz YTFSAARURJSLSA-MRXNPFEDSA-N 1 2 347.378 2.099 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc3nonc3c2)c1 ZINC001038659966 1229957357 /nfs/dbraw/zinc/95/73/57/1229957357.db2.gz YTFSAARURJSLSA-MRXNPFEDSA-N 1 2 347.378 2.099 20 30 EEEDLO Cc1c(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)ccn1C ZINC001038676003 1229969701 /nfs/dbraw/zinc/96/97/01/1229969701.db2.gz DROIUQZNMUKREJ-ZDUSSCGKSA-N 1 2 328.441 2.271 20 30 EEEDLO Cc1c(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)ccn1C ZINC001038676003 1229969706 /nfs/dbraw/zinc/96/97/06/1229969706.db2.gz DROIUQZNMUKREJ-ZDUSSCGKSA-N 1 2 328.441 2.271 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C)nc2C)c1 ZINC001038685642 1229975611 /nfs/dbraw/zinc/97/56/11/1229975611.db2.gz VSHYMQWYRBYRII-LJQANCHMSA-N 1 2 334.423 2.079 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C)nc2C)c1 ZINC001038685642 1229975613 /nfs/dbraw/zinc/97/56/13/1229975613.db2.gz VSHYMQWYRBYRII-LJQANCHMSA-N 1 2 334.423 2.079 20 30 EEEDLO C#CCOc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccnc2)cc1 ZINC001038778295 1230047330 /nfs/dbraw/zinc/04/73/30/1230047330.db2.gz LUAQOBRRRQBAHX-SFHVURJKSA-N 1 2 335.407 2.098 20 30 EEEDLO C#CCOc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccnc2)cc1 ZINC001038778295 1230047334 /nfs/dbraw/zinc/04/73/34/1230047334.db2.gz LUAQOBRRRQBAHX-SFHVURJKSA-N 1 2 335.407 2.098 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038808116 1230071294 /nfs/dbraw/zinc/07/12/94/1230071294.db2.gz OTYGMGXJUVAOHJ-JQFCIGGWSA-N 1 2 345.468 2.291 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038808116 1230071296 /nfs/dbraw/zinc/07/12/96/1230071296.db2.gz OTYGMGXJUVAOHJ-JQFCIGGWSA-N 1 2 345.468 2.291 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@@H](C)[C@H](CNc3cc[nH+]c(C)n3)C2)c1 ZINC001039893242 1230892853 /nfs/dbraw/zinc/89/28/53/1230892853.db2.gz OUBRXDPEZLGBBU-RDTXWAMCSA-N 1 2 349.438 2.372 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cnon1)C2 ZINC001040331379 1231173864 /nfs/dbraw/zinc/17/38/64/1231173864.db2.gz IPMKNVGSUGSZLD-SFHVURJKSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cnon1)C2 ZINC001040331379 1231173866 /nfs/dbraw/zinc/17/38/66/1231173866.db2.gz IPMKNVGSUGSZLD-SFHVURJKSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ncnn1C)C2 ZINC001040369893 1231190224 /nfs/dbraw/zinc/19/02/24/1231190224.db2.gz WBNBSVGDWNTOID-OALUTQOASA-N 1 2 345.491 2.232 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ncnn1C)C2 ZINC001040369893 1231190226 /nfs/dbraw/zinc/19/02/26/1231190226.db2.gz WBNBSVGDWNTOID-OALUTQOASA-N 1 2 345.491 2.232 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@H]2CC[N@H+](Cc3coc(C4CC4)n3)[C@H]2C1 ZINC001042057076 1231859008 /nfs/dbraw/zinc/85/90/08/1231859008.db2.gz FUHZZOLRXDYAFM-QAPCUYQASA-N 1 2 339.439 2.388 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@H]2CC[N@@H+](Cc3coc(C4CC4)n3)[C@H]2C1 ZINC001042057076 1231859010 /nfs/dbraw/zinc/85/90/10/1231859010.db2.gz FUHZZOLRXDYAFM-QAPCUYQASA-N 1 2 339.439 2.388 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](Cc4ccon4)[C@@H]3C2)cc1 ZINC001042177906 1231938304 /nfs/dbraw/zinc/93/83/04/1231938304.db2.gz ACSMHTDJFNGTEZ-QFBILLFUSA-N 1 2 335.407 2.393 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4ccon4)[C@@H]3C2)cc1 ZINC001042177906 1231938307 /nfs/dbraw/zinc/93/83/07/1231938307.db2.gz ACSMHTDJFNGTEZ-QFBILLFUSA-N 1 2 335.407 2.393 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C)no3)[C@H]2C1 ZINC001042183254 1231941948 /nfs/dbraw/zinc/94/19/48/1231941948.db2.gz INIPEUCLFHJQCL-CABCVRRESA-N 1 2 332.448 2.403 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C)no3)[C@H]2C1 ZINC001042183254 1231941950 /nfs/dbraw/zinc/94/19/50/1231941950.db2.gz INIPEUCLFHJQCL-CABCVRRESA-N 1 2 332.448 2.403 20 30 EEEDLO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3[nH]nnc3-c3ccccc3)C[C@@H]21 ZINC001042368384 1232050138 /nfs/dbraw/zinc/05/01/38/1232050138.db2.gz PXYDMSDHMDNMKR-ZBFHGGJFSA-N 1 2 337.427 2.194 20 30 EEEDLO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3[nH]nnc3-c3ccccc3)C[C@@H]21 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MHTXEVWAKQLRBD-UHFFFAOYSA-N 1 2 331.416 2.045 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccccc3C(C)C)C2)CC1 ZINC001052035677 1246403121 /nfs/dbraw/zinc/40/31/21/1246403121.db2.gz NGGYZRMLCXOBFB-GOSISDBHSA-N 1 2 339.483 2.275 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)COc1ccccc1CC)CCO2 ZINC001053523337 1246429691 /nfs/dbraw/zinc/42/96/91/1246429691.db2.gz YOFJLKHQXDGYJT-UHFFFAOYSA-N 1 2 344.455 2.117 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)C3(C)CCC3)C2)CC1 ZINC001052066652 1246439171 /nfs/dbraw/zinc/43/91/71/1246439171.db2.gz XOKRWPXQEFADPM-OAHLLOKOSA-N 1 2 325.884 2.148 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC34CCC4)C2)CC1 ZINC001052087339 1246466085 /nfs/dbraw/zinc/46/60/85/1246466085.db2.gz SVJJCGNFHHUFEH-CVEARBPZSA-N 1 2 337.895 2.148 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)c3ccc(C)o3)C2)CC1 ZINC001052093561 1246472061 /nfs/dbraw/zinc/47/20/61/1246472061.db2.gz RBFGNRWYEIUQMW-MSOLQXFVSA-N 1 2 345.487 2.486 20 30 EEEDLO 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UUZWDUFPLHJOCZ-LJQANCHMSA-N 1 2 346.430 2.411 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccc2c1OCC2 ZINC001054053442 1247245383 /nfs/dbraw/zinc/24/53/83/1247245383.db2.gz UUZWDUFPLHJOCZ-LJQANCHMSA-N 1 2 346.430 2.411 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001052613882 1247690469 /nfs/dbraw/zinc/69/04/69/1247690469.db2.gz ZGFJSPGIFBLYSK-CVEARBPZSA-N 1 2 346.475 2.086 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cccc4[nH]c(=O)[nH]c43)cc2C1 ZINC001054268281 1247947080 /nfs/dbraw/zinc/94/70/80/1247947080.db2.gz SYDONNRADLEJRG-UHFFFAOYSA-N 1 2 346.390 2.147 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cccc4[nH]c(=O)[nH]c43)cc2C1 ZINC001054268281 1247947100 /nfs/dbraw/zinc/94/71/00/1247947100.db2.gz SYDONNRADLEJRG-UHFFFAOYSA-N 1 2 346.390 2.147 20 30 EEEDLO C[C@H](Nc1ccc(C#N)cn1)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001058014540 1248277153 /nfs/dbraw/zinc/27/71/53/1248277153.db2.gz POFKHPYPIKGWRN-GOEBONIOSA-N 1 2 338.415 2.031 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3ccoc3CC)c2C1 ZINC001069859585 1253359490 /nfs/dbraw/zinc/35/94/90/1253359490.db2.gz CXZUQUZVMFWRPH-UHFFFAOYSA-N 1 2 328.416 2.360 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3ccoc3CC)c2C1 ZINC001069859585 1253359493 /nfs/dbraw/zinc/35/94/93/1253359493.db2.gz CXZUQUZVMFWRPH-UHFFFAOYSA-N 1 2 328.416 2.360 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001070784598 1253794938 /nfs/dbraw/zinc/79/49/38/1253794938.db2.gz PPRVSROVFQMKEB-MRXNPFEDSA-N 1 2 344.459 2.136 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ncnc3[nH]ccc32)CC[C@@H]1C ZINC001071648017 1254466956 /nfs/dbraw/zinc/46/69/56/1254466956.db2.gz LEHCGWXSEMUNSF-RYUDHWBXSA-N 1 2 333.823 2.245 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ncnc3[nH]ccc32)CC[C@@H]1C ZINC001071648017 1254466966 /nfs/dbraw/zinc/46/69/66/1254466966.db2.gz LEHCGWXSEMUNSF-RYUDHWBXSA-N 1 2 333.823 2.245 20 30 EEEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@@H](C)SC)C2)C1 ZINC001072500125 1255213551 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20 30 EEEDLO O=C(C#CC1CC1)NC1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC001227233696 1301742968 /nfs/dbraw/zinc/74/29/68/1301742968.db2.gz ZRZFZRMGMFSULY-UHFFFAOYSA-N 1 2 340.471 2.492 20 30 EEEDLO C=CCC(CC=C)C(=O)NC1CC[NH+](Cc2nn(CC)nc2C)CC1 ZINC001227520998 1301864722 /nfs/dbraw/zinc/86/47/22/1301864722.db2.gz WBSKEWCLPATFNC-UHFFFAOYSA-N 1 2 345.491 2.455 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NC1CC[NH+](Cc2ncc(C)o2)CC1)OCC ZINC001227607431 1301907465 /nfs/dbraw/zinc/90/74/65/1301907465.db2.gz RAJDNWQESGQWJE-MRXNPFEDSA-N 1 2 335.448 2.435 20 30 EEEDLO Cc1nc(N2CCC[C@H](CCNC(=O)[C@H](C)C#N)C2)c(C)c(C)[nH+]1 ZINC001102910478 1301909807 /nfs/dbraw/zinc/90/98/07/1301909807.db2.gz CYQHXDQQOZMJOR-MLGOLLRUSA-N 1 2 329.448 2.284 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)C(C)(C)COC)CC1 ZINC001228294350 1302193811 /nfs/dbraw/zinc/19/38/11/1302193811.db2.gz XGOQYDBTMHMQJM-UHFFFAOYSA-N 1 2 333.270 2.148 20 30 EEEDLO C=CC(C)(C)C(=O)NC1CC[NH+]([C@@H](C)c2nc(COC)no2)CC1 ZINC001228631440 1302345728 /nfs/dbraw/zinc/34/57/28/1302345728.db2.gz LTVZTNIULTVVON-LBPRGKRZSA-N 1 2 336.436 2.070 20 30 EEEDLO C=CCOCC(=O)N1CCC[C@@H]1CNc1nc(C)[nH+]c2c1CCCC2 ZINC001103797172 1303345694 /nfs/dbraw/zinc/34/56/94/1303345694.db2.gz IMHSAYULPOYQGC-OAHLLOKOSA-N 1 2 344.459 2.269 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC(C)(C)C ZINC001230771120 1303445535 /nfs/dbraw/zinc/44/55/35/1303445535.db2.gz YNJFBRKKYLCPST-INIZCTEOSA-N 1 2 335.492 2.156 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC(C)(C)C ZINC001230771120 1303445539 /nfs/dbraw/zinc/44/55/39/1303445539.db2.gz YNJFBRKKYLCPST-INIZCTEOSA-N 1 2 335.492 2.156 20 30 EEEDLO C=CCOCC(=O)NC[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001103900456 1303445665 /nfs/dbraw/zinc/44/56/65/1303445665.db2.gz QTNMPBBKFMEPPF-ZDUSSCGKSA-N 1 2 332.448 2.031 20 30 EEEDLO CC(C)OCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001230839212 1303493421 /nfs/dbraw/zinc/49/34/21/1303493421.db2.gz VZQOFZFTXVBEOV-AWEZNQCLSA-N 1 2 335.473 2.468 20 30 EEEDLO CC(C)OCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001230839212 1303493425 /nfs/dbraw/zinc/49/34/25/1303493425.db2.gz VZQOFZFTXVBEOV-AWEZNQCLSA-N 1 2 335.473 2.468 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NCc1ccc(C)cc1 ZINC001231121634 1303640155 /nfs/dbraw/zinc/64/01/55/1303640155.db2.gz FTOWFSQVZDOZPS-GOSISDBHSA-N 1 2 343.471 2.110 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NCc1ccc(C)cc1 ZINC001231121634 1303640163 /nfs/dbraw/zinc/64/01/63/1303640163.db2.gz FTOWFSQVZDOZPS-GOSISDBHSA-N 1 2 343.471 2.110 20 30 EEEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(Cl)cc2c1OCC2 ZINC001231293221 1303721924 /nfs/dbraw/zinc/72/19/24/1303721924.db2.gz KKFYOPJVEMDCTI-BLLLJJGKSA-N 1 2 347.846 2.467 20 30 EEEDLO C[C@@H](C#N)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(Cl)cc2c1OCC2 ZINC001231293221 1303721926 /nfs/dbraw/zinc/72/19/26/1303721926.db2.gz KKFYOPJVEMDCTI-BLLLJJGKSA-N 1 2 347.846 2.467 20 30 EEEDLO Cc1nc(N(C)Cc2ccccc2CNC(=O)C#CC2CC2)cc[nH+]1 ZINC001111626402 1303731913 /nfs/dbraw/zinc/73/19/13/1303731913.db2.gz CLMJIDQEGGTBFM-UHFFFAOYSA-N 1 2 334.423 2.451 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnc(Cl)s1)C2 ZINC001111667145 1303763079 /nfs/dbraw/zinc/76/30/79/1303763079.db2.gz VRTJASYUVIDYCY-ZETOZRRWSA-N 1 2 338.864 2.427 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnc(Cl)s1)C2 ZINC001111667145 1303763082 /nfs/dbraw/zinc/76/30/82/1303763082.db2.gz VRTJASYUVIDYCY-ZETOZRRWSA-N 1 2 338.864 2.427 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@H]2COCCN2c2nc(C)[nH+]c(C)c2C)C1 ZINC001111717605 1303801146 /nfs/dbraw/zinc/80/11/46/1303801146.db2.gz XGXVRQJQPKCDNG-INIZCTEOSA-N 1 2 344.459 2.080 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cc1OC(C)=O ZINC001231705364 1303898653 /nfs/dbraw/zinc/89/86/53/1303898653.db2.gz JSESNSWNOLUWHC-MRXNPFEDSA-N 1 2 333.409 2.395 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cc1OC(C)=O ZINC001231705364 1303898658 /nfs/dbraw/zinc/89/86/58/1303898658.db2.gz JSESNSWNOLUWHC-MRXNPFEDSA-N 1 2 333.409 2.395 20 30 EEEDLO N#Cc1ccc(NC2(CNC(=O)c3cccc4[nH+]ccn43)CCC2)nc1 ZINC001111869352 1304028683 /nfs/dbraw/zinc/02/86/83/1304028683.db2.gz LRZVDFSBUPDAND-UHFFFAOYSA-N 1 2 346.394 2.366 20 30 EEEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccnc3c(F)cccc23)CC1 ZINC001232211778 1304040097 /nfs/dbraw/zinc/04/00/97/1304040097.db2.gz JAFIEZYELHIOMP-UHFFFAOYSA-N 1 2 348.385 2.358 20 30 EEEDLO C=CCCCC(=O)NCC1(Nc2[nH+]cnc3c2cnn3C)CCC1 ZINC001111890456 1304057618 /nfs/dbraw/zinc/05/76/18/1304057618.db2.gz BMBLOAHQJIPHHE-UHFFFAOYSA-N 1 2 328.420 2.170 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782614864 1304089940 /nfs/dbraw/zinc/08/99/40/1304089940.db2.gz JGCXRHSNRXVRHI-QWQRMKEZSA-N 1 2 345.468 2.334 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782614864 1304089946 /nfs/dbraw/zinc/08/99/46/1304089946.db2.gz JGCXRHSNRXVRHI-QWQRMKEZSA-N 1 2 345.468 2.334 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001111975356 1304125053 /nfs/dbraw/zinc/12/50/53/1304125053.db2.gz BTGRLQQURCOLKW-MRXNPFEDSA-N 1 2 332.448 2.243 20 30 EEEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)C(=O)NC[C@H]3c2ccccc2)c1 ZINC001232677026 1304212367 /nfs/dbraw/zinc/21/23/67/1304212367.db2.gz HKOZTVQZAGTFAS-GHTZIAJQSA-N 1 2 347.418 2.370 20 30 EEEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@]3(C2)C(=O)NC[C@H]3c2ccccc2)c1 ZINC001232677026 1304212371 /nfs/dbraw/zinc/21/23/71/1304212371.db2.gz HKOZTVQZAGTFAS-GHTZIAJQSA-N 1 2 347.418 2.370 20 30 EEEDLO N#Cc1cc[nH]c1C[N@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001233043600 1304340558 /nfs/dbraw/zinc/34/05/58/1304340558.db2.gz FVNQIQKIVLOFBU-KSSFIOAISA-N 1 2 342.374 2.233 20 30 EEEDLO N#Cc1cc[nH]c1C[N@@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001233043600 1304340562 /nfs/dbraw/zinc/34/05/62/1304340562.db2.gz FVNQIQKIVLOFBU-KSSFIOAISA-N 1 2 342.374 2.233 20 30 EEEDLO N#Cc1cc[nH]c1CN1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001233044490 1304341868 /nfs/dbraw/zinc/34/18/68/1304341868.db2.gz LCUMLWQUJZSNNO-OAHLLOKOSA-N 1 2 348.410 2.189 20 30 EEEDLO CN(C)c1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c(F)c1C#N ZINC001233098367 1304359704 /nfs/dbraw/zinc/35/97/04/1304359704.db2.gz JXPQOEIELOKTRD-AWEZNQCLSA-N 1 2 331.313 2.262 20 30 EEEDLO CN(C)c1ccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c(F)c1C#N ZINC001233098367 1304359708 /nfs/dbraw/zinc/35/97/08/1304359708.db2.gz JXPQOEIELOKTRD-AWEZNQCLSA-N 1 2 331.313 2.262 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)c(O)c1 ZINC001233386195 1304452869 /nfs/dbraw/zinc/45/28/69/1304452869.db2.gz JLZHVUFQVFQNHF-UHFFFAOYSA-N 1 2 339.370 2.361 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CCN(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC001112434358 1304549544 /nfs/dbraw/zinc/54/95/44/1304549544.db2.gz XFHVMZSZVIFVGQ-HIFRSBDPSA-N 1 2 342.447 2.051 20 30 EEEDLO CC(C)CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234206175 1304798714 /nfs/dbraw/zinc/79/87/14/1304798714.db2.gz OBYBPEYUIRIAEA-IRXDYDNUSA-N 1 2 349.519 2.119 20 30 EEEDLO CC(C)CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234206175 1304798723 /nfs/dbraw/zinc/79/87/23/1304798723.db2.gz OBYBPEYUIRIAEA-IRXDYDNUSA-N 1 2 349.519 2.119 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC(C)(C)CC ZINC001234536126 1304957314 /nfs/dbraw/zinc/95/73/14/1304957314.db2.gz CGUUZRJDGXPVMX-OAHLLOKOSA-N 1 2 337.508 2.426 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC(C)(C)CC ZINC001234536126 1304957316 /nfs/dbraw/zinc/95/73/16/1304957316.db2.gz CGUUZRJDGXPVMX-OAHLLOKOSA-N 1 2 337.508 2.426 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@@H](C#N)C1 ZINC000798275824 1304969109 /nfs/dbraw/zinc/96/91/09/1304969109.db2.gz VDPRMRDACHLTAC-HOTGVXAUSA-N 1 2 343.427 2.470 20 30 EEEDLO Cn1cc(C[N@@H+]2CCC23CN(COCc2ccccc2)C3)cc1C#N ZINC001277898931 1305035661 /nfs/dbraw/zinc/03/56/61/1305035661.db2.gz TXOHGDVICJGOTK-UHFFFAOYSA-N 1 2 336.439 2.331 20 30 EEEDLO Cn1cc(C[N@H+]2CCC23CN(COCc2ccccc2)C3)cc1C#N ZINC001277898931 1305035666 /nfs/dbraw/zinc/03/56/66/1305035666.db2.gz TXOHGDVICJGOTK-UHFFFAOYSA-N 1 2 336.439 2.331 20 30 EEEDLO COC(=O)c1ccnc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC001235208180 1305149013 /nfs/dbraw/zinc/14/90/13/1305149013.db2.gz XLCHDRWDUMDNTA-UHFFFAOYSA-N 1 2 336.395 2.062 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2CCOCC(F)(F)F)CCC1 ZINC001235224320 1305155565 /nfs/dbraw/zinc/15/55/65/1305155565.db2.gz GKMLRICIIJJCEW-CQSZACIVSA-N 1 2 346.393 2.292 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2CCOCC(F)(F)F)CCC1 ZINC001235224320 1305155568 /nfs/dbraw/zinc/15/55/68/1305155568.db2.gz GKMLRICIIJJCEW-CQSZACIVSA-N 1 2 346.393 2.292 20 30 EEEDLO CCc1cc(C[NH+]2CC3(CCN3COCCOC)C2)ccc1C#N ZINC001278038394 1305764127 /nfs/dbraw/zinc/76/41/27/1305764127.db2.gz ZMEKYDOIRLLJRS-UHFFFAOYSA-N 1 2 329.444 2.001 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)C[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001120135878 1309342352 /nfs/dbraw/zinc/34/23/52/1309342352.db2.gz AMSWIXNJBBCCSL-CYBMUJFWSA-N 1 2 342.447 2.391 20 30 EEEDLO C#CCCCCCC(=O)N(C)C[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001120461479 1309558948 /nfs/dbraw/zinc/55/89/48/1309558948.db2.gz QGABGRLXUWZDSL-AWEZNQCLSA-N 1 2 342.447 2.206 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001122456467 1310291136 /nfs/dbraw/zinc/29/11/36/1310291136.db2.gz BSHSILZVJSWAFH-KBXCAEBGSA-N 1 2 332.448 2.154 20 30 EEEDLO Cc1nc(N[C@@H]2CCC[C@H]3CN(C(=O)C#CC(C)C)C[C@@H]32)cc[nH+]1 ZINC001123477370 1310581623 /nfs/dbraw/zinc/58/16/23/1310581623.db2.gz BXKYUAZVTRULRK-YESZJQIVSA-N 1 2 326.444 2.483 20 30 EEEDLO CC(=O)N[C@@H](CS)c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001247554132 1310635194 /nfs/dbraw/zinc/63/51/94/1310635194.db2.gz KQPYFZGMGNHBSL-LBPRGKRZSA-N 1 2 329.385 2.029 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001123839483 1310726615 /nfs/dbraw/zinc/72/66/15/1310726615.db2.gz QEPQPAFQHPOEAG-CABCVRRESA-N 1 2 346.479 2.299 20 30 EEEDLO N#Cc1cccnc1NC[C@@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001123887478 1310751517 /nfs/dbraw/zinc/75/15/17/1310751517.db2.gz PTDYSNWSNSOXKH-HIFRSBDPSA-N 1 2 338.415 2.006 20 30 EEEDLO N#Cc1cccnc1NC[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001123887478 1310751522 /nfs/dbraw/zinc/75/15/22/1310751522.db2.gz PTDYSNWSNSOXKH-HIFRSBDPSA-N 1 2 338.415 2.006 20 30 EEEDLO CC#CCCCC(=O)N(C)C[C@@H](O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001124654389 1310930173 /nfs/dbraw/zinc/93/01/73/1310930173.db2.gz OACPDPJZNVZLIS-INIZCTEOSA-N 1 2 346.475 2.333 20 30 EEEDLO C=C(C)C[NH+]1CCC(CNC(=O)C(F)C(F)(F)F)(COC)CC1 ZINC001162283040 1320805288 /nfs/dbraw/zinc/80/52/88/1320805288.db2.gz GXVFFZADIITLKN-LBPRGKRZSA-N 1 2 340.361 2.308 20 30 EEEDLO C=C(C)C[NH+]1CCC(CNC(=O)[C@H](F)C(F)(F)F)(COC)CC1 ZINC001162283040 1320805293 /nfs/dbraw/zinc/80/52/93/1320805293.db2.gz GXVFFZADIITLKN-LBPRGKRZSA-N 1 2 340.361 2.308 20 30 EEEDLO C=CCOc1ccccc1C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001139029498 1314690814 /nfs/dbraw/zinc/69/08/14/1314690814.db2.gz APSGGJNBVTXNGD-UHFFFAOYSA-N 1 2 335.411 2.235 20 30 EEEDLO CN(C)C(=O)C1C[NH+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 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COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(C#N)c(OC)n1 ZINC001206489504 1323510747 /nfs/dbraw/zinc/51/07/47/1323510747.db2.gz CHAUEVWPKHRETB-UHFFFAOYSA-N 1 2 339.395 2.470 20 30 EEEDLO COc1nscc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001206948651 1323734527 /nfs/dbraw/zinc/73/45/27/1323734527.db2.gz UXWDXDAPZYSCIT-TZMCWYRMSA-N 1 2 335.473 2.138 20 30 EEEDLO COc1nscc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001206948651 1323734533 /nfs/dbraw/zinc/73/45/33/1323734533.db2.gz UXWDXDAPZYSCIT-TZMCWYRMSA-N 1 2 335.473 2.138 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)c(OC)co2)C[C@H]1C ZINC001207172221 1323896094 /nfs/dbraw/zinc/89/60/94/1323896094.db2.gz ROUFEUCBWIUGIV-UKRRQHHQSA-N 1 2 348.443 2.187 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)c(OC)co2)C[C@H]1C ZINC001207172221 1323896097 /nfs/dbraw/zinc/89/60/97/1323896097.db2.gz ROUFEUCBWIUGIV-UKRRQHHQSA-N 1 2 348.443 2.187 20 30 EEEDLO Cc1c(CN2CC[C@@H]3C[C@@]32C(=O)NC2(C#N)CCC2)[nH+]c2ccccn12 ZINC001279871643 1324019268 /nfs/dbraw/zinc/01/92/68/1324019268.db2.gz GXHRAKHZNSMGKP-QRWLVFNGSA-N 1 2 349.438 2.170 20 30 EEEDLO CC(C)C#CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nc(C3CC3)no2)C1 ZINC001207992724 1324252093 /nfs/dbraw/zinc/25/20/93/1324252093.db2.gz QMDMXUQSSCWPDG-UKRRQHHQSA-N 1 2 330.432 2.248 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C1(C)CCCC1 ZINC001316603881 1324263251 /nfs/dbraw/zinc/26/32/51/1324263251.db2.gz XKXRDUASWLSPST-KRWDZBQOSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C)CCCC1 ZINC001316603881 1324263257 /nfs/dbraw/zinc/26/32/57/1324263257.db2.gz XKXRDUASWLSPST-KRWDZBQOSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001208194259 1324352813 /nfs/dbraw/zinc/35/28/13/1324352813.db2.gz ORDGMZGDZNNYGA-OAHLLOKOSA-N 1 2 332.448 2.481 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3nccc(C)n3)C[C@H]2C)CCC1 ZINC001208498360 1324528102 /nfs/dbraw/zinc/52/81/02/1324528102.db2.gz RKVSEWBGLILAOB-GDBMZVCRSA-N 1 2 328.460 2.468 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3nccc(C)n3)C[C@H]2C)CCC1 ZINC001208498360 1324528109 /nfs/dbraw/zinc/52/81/09/1324528109.db2.gz RKVSEWBGLILAOB-GDBMZVCRSA-N 1 2 328.460 2.468 20 30 EEEDLO CCn1nnc2c1CC[N@H+](CCCc1cccc(C#N)c1)[C@H]2COC ZINC001208851947 1324691169 /nfs/dbraw/zinc/69/11/69/1324691169.db2.gz OQNBHQXOYJLKEW-SFHVURJKSA-N 1 2 339.443 2.348 20 30 EEEDLO CCn1nnc2c1CC[N@@H+](CCCc1cccc(C#N)c1)[C@H]2COC ZINC001208851947 1324691173 /nfs/dbraw/zinc/69/11/73/1324691173.db2.gz OQNBHQXOYJLKEW-SFHVURJKSA-N 1 2 339.443 2.348 20 30 EEEDLO CC[C@H](CC(F)(F)F)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001316608116 1324716348 /nfs/dbraw/zinc/71/63/48/1324716348.db2.gz WTSYSLUVJCPVNJ-ZIAGYGMSSA-N 1 2 334.382 2.148 20 30 EEEDLO CC[C@H](CC(F)(F)F)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001316608116 1324716350 /nfs/dbraw/zinc/71/63/50/1324716350.db2.gz WTSYSLUVJCPVNJ-ZIAGYGMSSA-N 1 2 334.382 2.148 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001338840967 1336917912 /nfs/dbraw/zinc/91/79/12/1336917912.db2.gz FTEASOYSSDTYRV-VQHPVUNQSA-N 1 2 345.491 2.482 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001338840967 1336917914 /nfs/dbraw/zinc/91/79/14/1336917914.db2.gz FTEASOYSSDTYRV-VQHPVUNQSA-N 1 2 345.491 2.482 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@](C)(OC)C1 ZINC001338926467 1336932873 /nfs/dbraw/zinc/93/28/73/1336932873.db2.gz CWHSFEQSVUKXCJ-SFHVURJKSA-N 1 2 333.480 2.455 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(CC)CCC1CC1 ZINC001338962803 1336937851 /nfs/dbraw/zinc/93/78/51/1336937851.db2.gz ALUIFDYDMSCUQY-UHFFFAOYSA-N 1 2 347.507 2.295 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Cc3ccc(C)cc3)n2C)CC1 ZINC001339284897 1336985246 /nfs/dbraw/zinc/98/52/46/1336985246.db2.gz CJENELFNYMZGJG-KRWDZBQOSA-N 1 2 337.471 2.225 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1C[C@@H](CC)O[C@H](CC)C1 ZINC001340592753 1337211989 /nfs/dbraw/zinc/21/19/89/1337211989.db2.gz CPZLEYMIEXTNKB-HUUCEWRRSA-N 1 2 344.463 2.182 20 30 EEEDLO C=CCCC(=O)N1CCCO[C@@H](C[NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001200084794 1337996927 /nfs/dbraw/zinc/99/69/27/1337996927.db2.gz ZWFOSPTVZWMGAG-HNNXBMFYSA-N 1 2 348.447 2.010 20 30 EEEDLO C=CCOCCCC(=O)NCC1CC([NH2+]CC(F)(F)C(F)F)C1 ZINC001100216395 1338167591 /nfs/dbraw/zinc/16/75/91/1338167591.db2.gz OXLBIYRTYBTAOW-UHFFFAOYSA-N 1 2 340.361 2.354 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@H](C)CC#N ZINC001355876927 1338762066 /nfs/dbraw/zinc/76/20/66/1338762066.db2.gz PPTVKMHBOHORRM-OAGGEKHMSA-N 1 2 344.463 2.128 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@H](C)CC#N ZINC001355876927 1338762067 /nfs/dbraw/zinc/76/20/67/1338762067.db2.gz PPTVKMHBOHORRM-OAGGEKHMSA-N 1 2 344.463 2.128 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CC[C@@H](CF)C1 ZINC001355877266 1338762449 /nfs/dbraw/zinc/76/24/49/1338762449.db2.gz SQZHOQNUYGEZHY-JYJNAYRXSA-N 1 2 349.454 2.186 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CC[C@@H](CF)C1 ZINC001355877266 1338762453 /nfs/dbraw/zinc/76/24/53/1338762453.db2.gz SQZHOQNUYGEZHY-JYJNAYRXSA-N 1 2 349.454 2.186 20 30 EEEDLO C=CC[C@H]1CCCN(c2nnc(C[NH+]3CCC(CO)CC3)n2CC)C1 ZINC001356512673 1338828194 /nfs/dbraw/zinc/82/81/94/1338828194.db2.gz UCHYQUOXSVUHRL-INIZCTEOSA-N 1 2 347.507 2.295 20 30 EEEDLO CCC#C[C@H](C)[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2Cl)CC1 ZINC001603961539 1350814189 /nfs/dbraw/zinc/81/41/89/1350814189.db2.gz CGSQTJAFHUYERH-ZDUSSCGKSA-N 1 2 344.850 2.444 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CNC(=O)CCC(C)C)[C@H]1C ZINC001394719394 1390744505 /nfs/dbraw/zinc/74/45/05/1390744505.db2.gz XHYMNRDVCOYBPL-CABCVRRESA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)CCC(C)C)[C@H]1C ZINC001394719394 1390744508 /nfs/dbraw/zinc/74/45/08/1390744508.db2.gz XHYMNRDVCOYBPL-CABCVRRESA-N 1 2 343.899 2.260 20 30 EEEDLO Cc1nc(N[C@H](CNC(=O)[C@H](C)C#N)C(C)C)c2c([nH+]1)CCCC2 ZINC001105137398 1366973357 /nfs/dbraw/zinc/97/33/57/1366973357.db2.gz FNVRLSOMMORTRD-MLGOLLRUSA-N 1 2 329.448 2.376 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)c(C)[nH+]1 ZINC000984583596 1367221747 /nfs/dbraw/zinc/22/17/47/1367221747.db2.gz DWXPKMIASQLCAC-XJKSGUPXSA-N 1 2 342.443 2.230 20 30 EEEDLO COc1cccc(OC)c1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000602437171 1367399551 /nfs/dbraw/zinc/39/95/51/1367399551.db2.gz WBOLCUHWXRALHK-UHFFFAOYSA-N 1 2 338.411 2.293 20 30 EEEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](Cc3ccnc(Cl)c3)C[C@H]21 ZINC001187804179 1368268215 /nfs/dbraw/zinc/26/82/15/1368268215.db2.gz LFWONQIIUPLOAZ-JKSUJKDBSA-N 1 2 331.847 2.427 20 30 EEEDLO CC(C)C#CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccnc(Cl)c3)C[C@H]21 ZINC001187804179 1368268219 /nfs/dbraw/zinc/26/82/19/1368268219.db2.gz LFWONQIIUPLOAZ-JKSUJKDBSA-N 1 2 331.847 2.427 20 30 EEEDLO C#CCCCC(=O)N1CCC[N@@H+](CC(=O)N[C@@H](C)CCC(C)C)CC1 ZINC001195644859 1368561386 /nfs/dbraw/zinc/56/13/86/1368561386.db2.gz APKLZSPZJHSPKS-SFHVURJKSA-N 1 2 349.519 2.265 20 30 EEEDLO C#CCCCC(=O)N1CCC[N@H+](CC(=O)N[C@@H](C)CCC(C)C)CC1 ZINC001195644859 1368561391 /nfs/dbraw/zinc/56/13/91/1368561391.db2.gz APKLZSPZJHSPKS-SFHVURJKSA-N 1 2 349.519 2.265 20 30 EEEDLO C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCOC1)c1ccccc1OC ZINC001198595282 1368630411 /nfs/dbraw/zinc/63/04/11/1368630411.db2.gz JNAQIGYJSXRBJT-UKRRQHHQSA-N 1 2 338.835 2.231 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NCC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095354778 1369697166 /nfs/dbraw/zinc/69/71/66/1369697166.db2.gz JHHRHSGUVNPMJR-IBGZPJMESA-N 1 2 346.475 2.062 20 30 EEEDLO N#CCCNC(=O)C[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000777807355 1369878914 /nfs/dbraw/zinc/87/89/14/1369878914.db2.gz KIDKFPREMIBZIR-HNNXBMFYSA-N 1 2 344.463 2.062 20 30 EEEDLO N#CCCNC(=O)C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000777807355 1369878917 /nfs/dbraw/zinc/87/89/17/1369878917.db2.gz KIDKFPREMIBZIR-HNNXBMFYSA-N 1 2 344.463 2.062 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](CNc3cc[nH+]c(C)n3)C2)cn1 ZINC001069477756 1370139846 /nfs/dbraw/zinc/13/98/46/1370139846.db2.gz GSXSTLNAEOXJTF-PBHICJAKSA-N 1 2 335.411 2.172 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001072196177 1370638291 /nfs/dbraw/zinc/63/82/91/1370638291.db2.gz PGZJUZDYWUHLCV-HZPDHXFCSA-N 1 2 346.475 2.229 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1csc(C3CC3)n1)C2 ZINC001072552702 1370738972 /nfs/dbraw/zinc/73/89/72/1370738972.db2.gz RMWWGXMPUYYUDR-GFCCVEGCSA-N 1 2 330.457 2.214 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1csc(C3CC3)n1)C2 ZINC001072552702 1370738979 /nfs/dbraw/zinc/73/89/79/1370738979.db2.gz RMWWGXMPUYYUDR-GFCCVEGCSA-N 1 2 330.457 2.214 20 30 EEEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC3(C)C)C2)C1 ZINC001072634643 1370769523 /nfs/dbraw/zinc/76/95/23/1370769523.db2.gz FVEVPJVQGPCJEG-LBPRGKRZSA-N 1 2 327.266 2.475 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC3(C)C)C2)C1 ZINC001072634643 1370769529 /nfs/dbraw/zinc/76/95/29/1370769529.db2.gz FVEVPJVQGPCJEG-LBPRGKRZSA-N 1 2 327.266 2.475 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnn(CC)n1)C2 ZINC001111851682 1371273950 /nfs/dbraw/zinc/27/39/50/1371273950.db2.gz KIQILBFEMZQOFU-BXWFABGCSA-N 1 2 345.491 2.371 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnn(CC)n1)C2 ZINC001111851682 1371273955 /nfs/dbraw/zinc/27/39/55/1371273955.db2.gz KIQILBFEMZQOFU-BXWFABGCSA-N 1 2 345.491 2.371 20 30 EEEDLO C#CCCCCCC(=O)N1CCC[C@@](CO)(Nc2cc[nH+]c(C)n2)C1 ZINC001112231616 1371366249 /nfs/dbraw/zinc/36/62/49/1371366249.db2.gz RGPSOAMULPBGJW-LJQANCHMSA-N 1 2 344.459 2.134 20 30 EEEDLO C[C@@H](CC#N)N(C)c1nnc(Cc2[nH+]ccn2Cc2ccccc2)n1C ZINC001121357045 1371871942 /nfs/dbraw/zinc/87/19/42/1371871942.db2.gz HUCZOVGGEGVNTL-HNNXBMFYSA-N 1 2 349.442 2.389 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](O)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001125265343 1372234170 /nfs/dbraw/zinc/23/41/70/1372234170.db2.gz WSTJTDXGJDGHTL-LPHOPBHVSA-N 1 2 348.491 2.260 20 30 EEEDLO CCC[C@@H](C)C(=O)NCC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001369891426 1374703515 /nfs/dbraw/zinc/70/35/15/1374703515.db2.gz XBADVUDOXIVTBV-QGZVFWFLSA-N 1 2 342.487 2.228 20 30 EEEDLO N#Cc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)C(F)C(F)(F)F)C2)c1 ZINC001375527063 1377818993 /nfs/dbraw/zinc/81/89/93/1377818993.db2.gz BOAWZFVPKBPZMO-MGPQQGTHSA-N 1 2 343.324 2.443 20 30 EEEDLO N#Cc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C2)c1 ZINC001375527063 1377818995 /nfs/dbraw/zinc/81/89/95/1377818995.db2.gz BOAWZFVPKBPZMO-MGPQQGTHSA-N 1 2 343.324 2.443 20 30 EEEDLO CC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC001378232182 1379811306 /nfs/dbraw/zinc/81/13/06/1379811306.db2.gz MOKNTGCCCNYWOF-GWCFXTLKSA-N 1 2 342.403 2.006 20 30 EEEDLO Cc1nnc([C@@H](C)[N@H+](C)CCCN(C)C(=O)c2cc(C#N)c[nH]2)s1 ZINC001380946998 1381457171 /nfs/dbraw/zinc/45/71/71/1381457171.db2.gz ANMWVLDHRYYXST-LLVKDONJSA-N 1 2 346.460 2.201 20 30 EEEDLO Cc1nnc([C@@H](C)[N@@H+](C)CCCN(C)C(=O)c2cc(C#N)c[nH]2)s1 ZINC001380946998 1381457173 /nfs/dbraw/zinc/45/71/73/1381457173.db2.gz ANMWVLDHRYYXST-LLVKDONJSA-N 1 2 346.460 2.201 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)O)C[C@@H]1C ZINC001381173005 1381544853 /nfs/dbraw/zinc/54/48/53/1381544853.db2.gz RORFVRXYAUSVGK-NWDGAFQWSA-N 1 2 333.270 2.025 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)O)C[C@@H]1C ZINC001381173005 1381544847 /nfs/dbraw/zinc/54/48/47/1381544847.db2.gz RORFVRXYAUSVGK-NWDGAFQWSA-N 1 2 333.270 2.025 20 30 EEEDLO COc1cc(C)cnc1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001390769240 1388772949 /nfs/dbraw/zinc/77/29/49/1388772949.db2.gz UCBQJMPFRGFGKD-UHFFFAOYSA-N 1 2 338.411 2.132 20 30 EEEDLO COc1cc(C)cnc1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001390769240 1388772952 /nfs/dbraw/zinc/77/29/52/1388772952.db2.gz UCBQJMPFRGFGKD-UHFFFAOYSA-N 1 2 338.411 2.132 20 30 EEEDLO Cc1nnc([C@H](C)[NH+]2CCC(N(C)C(=O)C#CC3CC3)CC2)s1 ZINC001752300028 1406269668 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344.459 2.240 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)CC[C@H]3CCCO3)C2)c1 ZINC001391469934 1389380686 /nfs/dbraw/zinc/38/06/86/1389380686.db2.gz ZPQSVADWNAIXLF-QGZVFWFLSA-N 1 2 345.418 2.205 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)CC[C@H]1CCOC1 ZINC001392265648 1389938163 /nfs/dbraw/zinc/93/81/63/1389938163.db2.gz KIDURYNKEASFJN-INIZCTEOSA-N 1 2 329.444 2.265 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)CC[C@H]1CCOC1 ZINC001392265648 1389938168 /nfs/dbraw/zinc/93/81/68/1389938168.db2.gz KIDURYNKEASFJN-INIZCTEOSA-N 1 2 329.444 2.265 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ncnn1CCC ZINC001754861557 1406966200 /nfs/dbraw/zinc/96/62/00/1406966200.db2.gz GDNQOUVFXLZZDN-HOTGVXAUSA-N 1 2 331.464 2.220 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ncnn1CCC ZINC001754861557 1406966204 /nfs/dbraw/zinc/96/62/04/1406966204.db2.gz GDNQOUVFXLZZDN-HOTGVXAUSA-N 1 2 331.464 2.220 20 30 EEEDLO COCC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](C)C(C)C ZINC001755075568 1407085707 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329.429 2.126 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1cscn1 ZINC001087535385 781747114 /nfs/dbraw/zinc/74/71/14/781747114.db2.gz HUPBPIXCNODLSV-DZGCQCFKSA-N 1 2 329.429 2.126 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)Oc1ccc(Br)c(C#N)c1 ZINC001226729688 781761026 /nfs/dbraw/zinc/76/10/26/781761026.db2.gz PSAMUFVLZUYIGA-LLVKDONJSA-N 1 2 325.206 2.420 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NCC[NH2+]Cc1nc(C(C)C)ns1 ZINC001131869312 783397097 /nfs/dbraw/zinc/39/70/97/783397097.db2.gz CRXQDERWBBDRKR-MRXNPFEDSA-N 1 2 340.493 2.096 20 30 EEEDLO CC(C)c1nc(C[NH2+][C@H]2CCCCCN(C(=O)C#CC3CC3)C2)no1 ZINC001088312271 783469748 /nfs/dbraw/zinc/46/97/48/783469748.db2.gz SKMJTGNHFMOQAQ-INIZCTEOSA-N 1 2 344.459 2.467 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnc3c(F)cccc3c2)C1 ZINC001035445092 784540914 /nfs/dbraw/zinc/54/09/14/784540914.db2.gz MUHBMMZRIWXOGQ-INIZCTEOSA-N 1 2 343.402 2.381 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnc3c(F)cccc3c2)C1 ZINC001035445092 784540918 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EEEDLO CC(C)c1nc(-c2nn[nH]n2)c(N=NC2C[C@H](C)[N@H+](C3CC3)C2)o1 ZINC000820198296 785833682 /nfs/dbraw/zinc/83/36/82/785833682.db2.gz UXDDOZBAVOGAIX-VIFPVBQESA-N 1 2 330.396 2.003 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001067512957 785851446 /nfs/dbraw/zinc/85/14/46/785851446.db2.gz CDWOWZRLQAPIJJ-KXBFYZLASA-N 1 2 348.491 2.498 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001067512957 785851454 /nfs/dbraw/zinc/85/14/54/785851454.db2.gz CDWOWZRLQAPIJJ-KXBFYZLASA-N 1 2 348.491 2.498 20 30 EEEDLO C#CCCCOc1ccc[nH+]c1NCCNC(=O)c1ccc(O)cc1 ZINC000820630103 785995733 /nfs/dbraw/zinc/99/57/33/785995733.db2.gz RWPWZAGNCFITAK-UHFFFAOYSA-N 1 2 339.395 2.421 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)c3ccc(C)cc3)nn2)C1 ZINC001107229435 786562237 /nfs/dbraw/zinc/56/22/37/786562237.db2.gz JEQKEAVENINDOD-HNNXBMFYSA-N 1 2 339.443 2.049 20 30 EEEDLO C[C@H]1CCCN(C(=O)C#CC2CC2)[C@H]1C[NH2+]Cc1noc(C2CC2)n1 ZINC001036545371 786631092 /nfs/dbraw/zinc/63/10/92/786631092.db2.gz UAXWVDMOTORNOI-BBRMVZONSA-N 1 2 342.443 2.077 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cc(C)cc(C)c2)[C@H](O)C1 ZINC001090543859 786827893 /nfs/dbraw/zinc/82/78/93/786827893.db2.gz OZNNDDBJKAEEEZ-IAGOWNOFSA-N 1 2 336.863 2.150 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc(C)cc(C)c2)[C@H](O)C1 ZINC001090543859 786827895 /nfs/dbraw/zinc/82/78/95/786827895.db2.gz OZNNDDBJKAEEEZ-IAGOWNOFSA-N 1 2 336.863 2.150 20 30 EEEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnnn1C(C)C)CC2 ZINC001107319157 786847869 /nfs/dbraw/zinc/84/78/69/786847869.db2.gz HAUIOVMXSRYMFA-CRAIPNDOSA-N 1 2 346.479 2.081 20 30 EEEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnnn1C(C)C)CC2 ZINC001107319157 786847876 /nfs/dbraw/zinc/84/78/76/786847876.db2.gz HAUIOVMXSRYMFA-CRAIPNDOSA-N 1 2 346.479 2.081 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCCO[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001090577125 787034772 /nfs/dbraw/zinc/03/47/72/787034772.db2.gz UMICYALYEWNYJI-HNNXBMFYSA-N 1 2 332.448 2.417 20 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ZINC001109627107 805788513 /nfs/dbraw/zinc/78/85/13/805788513.db2.gz AAFUIEFHABEHAY-BDXSIMOUSA-N 1 2 347.503 2.062 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C(C)C ZINC001109627107 805788518 /nfs/dbraw/zinc/78/85/18/805788518.db2.gz AAFUIEFHABEHAY-BDXSIMOUSA-N 1 2 347.503 2.062 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3c(C)cccn3c2)[C@H](O)C1 ZINC001090725978 787925616 /nfs/dbraw/zinc/92/56/16/787925616.db2.gz SNCMNSDSZLEXGB-NVXWUHKLSA-N 1 2 347.846 2.165 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3c(C)cccn3c2)[C@H](O)C1 ZINC001090725978 787925626 /nfs/dbraw/zinc/92/56/26/787925626.db2.gz SNCMNSDSZLEXGB-NVXWUHKLSA-N 1 2 347.846 2.165 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3c(C)cccn3c2)[C@@H](O)C1 ZINC001090725980 787927003 /nfs/dbraw/zinc/92/70/03/787927003.db2.gz SNCMNSDSZLEXGB-WBVHZDCISA-N 1 2 347.846 2.165 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3c(C)cccn3c2)[C@@H](O)C1 ZINC001090725980 787927010 /nfs/dbraw/zinc/92/70/10/787927010.db2.gz SNCMNSDSZLEXGB-WBVHZDCISA-N 1 2 347.846 2.165 20 30 EEEDLO CC(C)CC(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107700504 788081611 /nfs/dbraw/zinc/08/16/11/788081611.db2.gz NBIVKBXERUIJBF-IBGZPJMESA-N 1 2 329.444 2.311 20 30 EEEDLO CC(C)CC(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107700504 788081618 /nfs/dbraw/zinc/08/16/18/788081618.db2.gz NBIVKBXERUIJBF-IBGZPJMESA-N 1 2 329.444 2.311 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OC)nn1 ZINC001109681601 805870405 /nfs/dbraw/zinc/87/04/05/805870405.db2.gz ASFIORQCFKDSLS-DRMAHVMPSA-N 1 2 344.459 2.309 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(OC)nn1 ZINC001109681601 805870415 /nfs/dbraw/zinc/87/04/15/805870415.db2.gz ASFIORQCFKDSLS-DRMAHVMPSA-N 1 2 344.459 2.309 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060233113 788354523 /nfs/dbraw/zinc/35/45/23/788354523.db2.gz NTENFAFWHVCBOV-HNNXBMFYSA-N 1 2 344.459 2.075 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)c(F)c(C)c2)[C@@H](O)C1 ZINC001090819612 788427877 /nfs/dbraw/zinc/42/78/77/788427877.db2.gz DUFLLWNIYUWVPA-CABCVRRESA-N 1 2 340.826 2.360 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)c(F)c(C)c2)[C@@H](O)C1 ZINC001090819612 788427881 /nfs/dbraw/zinc/42/78/81/788427881.db2.gz DUFLLWNIYUWVPA-CABCVRRESA-N 1 2 340.826 2.360 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)C ZINC001109679407 805878544 /nfs/dbraw/zinc/87/85/44/805878544.db2.gz YGAWHVWLFOXSNP-PASDCYSWSA-N 1 2 335.492 2.082 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)C ZINC001109679407 805878552 /nfs/dbraw/zinc/87/85/52/805878552.db2.gz YGAWHVWLFOXSNP-PASDCYSWSA-N 1 2 335.492 2.082 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(c3cccc(C)c3)CC2)[C@@H](O)C1 ZINC001090833121 788471324 /nfs/dbraw/zinc/47/13/24/788471324.db2.gz KWKPMIKISHFZJR-SJORKVTESA-N 1 2 348.874 2.331 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(c3cccc(C)c3)CC2)[C@@H](O)C1 ZINC001090833121 788471328 /nfs/dbraw/zinc/47/13/28/788471328.db2.gz KWKPMIKISHFZJR-SJORKVTESA-N 1 2 348.874 2.331 20 30 EEEDLO Cc1cccn2cc(CC(=O)N[C@H](C)CNc3ccc(C#N)cn3)[nH+]c12 ZINC001107832472 788641515 /nfs/dbraw/zinc/64/15/15/788641515.db2.gz BTEGBEIOMIJSTE-CQSZACIVSA-N 1 2 348.410 2.069 20 30 EEEDLO N#Cc1ccc(NC(=O)[C@H]2[C@@H](O)CC[N@@H+]2Cc2ccccc2)c(C#N)c1 ZINC001143678335 788738536 /nfs/dbraw/zinc/73/85/36/788738536.db2.gz UDIYEVCQZNFVPW-RBUKOAKNSA-N 1 2 346.390 2.004 20 30 EEEDLO N#Cc1ccc(NC(=O)[C@H]2[C@@H](O)CC[N@H+]2Cc2ccccc2)c(C#N)c1 ZINC001143678335 788738539 /nfs/dbraw/zinc/73/85/39/788738539.db2.gz UDIYEVCQZNFVPW-RBUKOAKNSA-N 1 2 346.390 2.004 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C2CC[NH+](Cc3nnc(C)n3CC)CC2)C1 ZINC001005933413 788940070 /nfs/dbraw/zinc/94/00/70/788940070.db2.gz STFMPHNMQNKDFN-UHFFFAOYSA-N 1 2 345.491 2.386 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[N@@H+]2Cc2cncc(C#N)c2)C1 ZINC001144074389 789209478 /nfs/dbraw/zinc/20/94/78/789209478.db2.gz LFBHIBMQYLHJAF-JKSUJKDBSA-N 1 2 328.416 2.394 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[N@H+]2Cc2cncc(C#N)c2)C1 ZINC001144074389 789209484 /nfs/dbraw/zinc/20/94/84/789209484.db2.gz LFBHIBMQYLHJAF-JKSUJKDBSA-N 1 2 328.416 2.394 20 30 EEEDLO Cc1cc(N[C@@H](C)CCNC(=O)CSCC#N)nc(C2CC2)[nH+]1 ZINC001098838760 789244424 /nfs/dbraw/zinc/24/44/24/789244424.db2.gz UVKPJUKOFPVJDH-NSHDSACASA-N 1 2 333.461 2.226 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)n1 ZINC001060266618 789245588 /nfs/dbraw/zinc/24/55/88/789245588.db2.gz UPDNZLGRVXLMHL-OAHLLOKOSA-N 1 2 338.415 2.021 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nnn1CC ZINC001109769659 805954155 /nfs/dbraw/zinc/95/41/55/805954155.db2.gz NJHZZYVKTIJKEN-PMPSAXMXSA-N 1 2 345.491 2.430 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nnn1CC ZINC001109769659 805954157 /nfs/dbraw/zinc/95/41/57/805954157.db2.gz NJHZZYVKTIJKEN-PMPSAXMXSA-N 1 2 345.491 2.430 20 30 EEEDLO CC(C)C#CC(=O)NC[C@]1(C)C[N@H+](CCc2ccccc2F)CCO1 ZINC001107926361 789335476 /nfs/dbraw/zinc/33/54/76/789335476.db2.gz FIPIQPJTRAKUKQ-HXUWFJFHSA-N 1 2 346.446 2.235 20 30 EEEDLO CC(C)C#CC(=O)NC[C@]1(C)C[N@@H+](CCc2ccccc2F)CCO1 ZINC001107926361 789335487 /nfs/dbraw/zinc/33/54/87/789335487.db2.gz FIPIQPJTRAKUKQ-HXUWFJFHSA-N 1 2 346.446 2.235 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccc(Cl)c2F)C1 ZINC001108178539 789409220 /nfs/dbraw/zinc/40/92/20/789409220.db2.gz IJZIOIZUYOWBAO-INIZCTEOSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccc(Cl)c2F)C1 ZINC001108178539 789409227 /nfs/dbraw/zinc/40/92/27/789409227.db2.gz IJZIOIZUYOWBAO-INIZCTEOSA-N 1 2 326.799 2.486 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(F)(F)c2c(F)cccc2F)C1 ZINC000923565685 789787098 /nfs/dbraw/zinc/78/70/98/789787098.db2.gz DOEOREDBJJHJCY-LLVKDONJSA-N 1 2 328.309 2.270 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)c2c(F)cccc2F)C1 ZINC000923565685 789787103 /nfs/dbraw/zinc/78/71/03/789787103.db2.gz DOEOREDBJJHJCY-LLVKDONJSA-N 1 2 328.309 2.270 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)CC(=O)c2ccccc2F)C1 ZINC000923572913 789799690 /nfs/dbraw/zinc/79/96/90/789799690.db2.gz HQBLFRJCMGLGDI-CABCVRRESA-N 1 2 330.403 2.248 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CC(=O)c2ccccc2F)C1 ZINC000923572913 789799696 /nfs/dbraw/zinc/79/96/96/789799696.db2.gz HQBLFRJCMGLGDI-CABCVRRESA-N 1 2 330.403 2.248 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCCC[C@H]2CNc2cc[nH+]c(C)n2)c1 ZINC001060305821 789902448 /nfs/dbraw/zinc/90/24/48/789902448.db2.gz LZIJEKKLNWEJEP-KRWDZBQOSA-N 1 2 335.411 2.268 20 30 EEEDLO NC(=[NH+]OCC(=O)Nc1cccc(F)c1)c1ccc2c(c1)CCO2 ZINC000158221482 790223127 /nfs/dbraw/zinc/22/31/27/790223127.db2.gz QIPZRBVQOUAIEG-UHFFFAOYSA-N 1 2 329.331 2.036 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CC[N@@H+]1Cc1ccccc1C#N ZINC001088940381 791651962 /nfs/dbraw/zinc/65/19/62/791651962.db2.gz RIVNKANIDWZISM-DYVFJYSZSA-N 1 2 338.386 2.485 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CC[N@H+]1Cc1ccccc1C#N ZINC001088940381 791651964 /nfs/dbraw/zinc/65/19/64/791651964.db2.gz RIVNKANIDWZISM-DYVFJYSZSA-N 1 2 338.386 2.485 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccn(C3CCCC3)n2)C1 ZINC001107976842 791660888 /nfs/dbraw/zinc/66/08/88/791660888.db2.gz AUHXMPFRNIMJOA-GOSISDBHSA-N 1 2 332.448 2.005 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccn(C3CCCC3)n2)C1 ZINC001107976842 791660893 /nfs/dbraw/zinc/66/08/93/791660893.db2.gz AUHXMPFRNIMJOA-GOSISDBHSA-N 1 2 332.448 2.005 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)[C@H]1C ZINC001088975787 791796165 /nfs/dbraw/zinc/79/61/65/791796165.db2.gz PCUAKNGNASFHSL-HIFRSBDPSA-N 1 2 345.834 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)[C@H]1C ZINC001088975787 791796168 /nfs/dbraw/zinc/79/61/68/791796168.db2.gz PCUAKNGNASFHSL-HIFRSBDPSA-N 1 2 345.834 2.212 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nc(CC)no1)C2 ZINC001147369004 791803779 /nfs/dbraw/zinc/80/37/79/791803779.db2.gz QYLYDGZAMJABFF-HNNXBMFYSA-N 1 2 344.459 2.421 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nc(CC)no1)C2 ZINC001147369004 791803785 /nfs/dbraw/zinc/80/37/85/791803785.db2.gz QYLYDGZAMJABFF-HNNXBMFYSA-N 1 2 344.459 2.421 20 30 EEEDLO Cc1nc(N[C@@H](C)[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)cc[nH+]1 ZINC001063878330 791872586 /nfs/dbraw/zinc/87/25/86/791872586.db2.gz RXIICWORPQLWPH-JSGCOSHPSA-N 1 2 338.415 2.338 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2ncc(C)o2)[C@@H]1C ZINC001089006670 791881820 /nfs/dbraw/zinc/88/18/20/791881820.db2.gz RNLARFGEZKMBDP-QAPCUYQASA-N 1 2 337.423 2.286 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)o2)[C@@H]1C ZINC001089006670 791881824 /nfs/dbraw/zinc/88/18/24/791881824.db2.gz RNLARFGEZKMBDP-QAPCUYQASA-N 1 2 337.423 2.286 20 30 EEEDLO CCN(C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1)[C@@H]1CCCN(CC#N)CC1 ZINC000998047111 791883967 /nfs/dbraw/zinc/88/39/67/791883967.db2.gz PSQFQFYIHHPPEP-JKSUJKDBSA-N 1 2 343.475 2.050 20 30 EEEDLO CCN(C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1)[C@@H]1CCCN(CC#N)CC1 ZINC000998047111 791883971 /nfs/dbraw/zinc/88/39/71/791883971.db2.gz PSQFQFYIHHPPEP-JKSUJKDBSA-N 1 2 343.475 2.050 20 30 EEEDLO C#CCOCCC(=O)N1CCC[C@@H](C)[C@@H]1CCNc1cc[nH+]c(C)n1 ZINC001091660066 791948042 /nfs/dbraw/zinc/94/80/42/791948042.db2.gz MVVGQNMHDKYOHJ-WBVHZDCISA-N 1 2 344.459 2.254 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nc(CC)no1)C2 ZINC001148095012 792145255 /nfs/dbraw/zinc/14/52/55/792145255.db2.gz CMOHYNFTVGYJAW-OAHLLOKOSA-N 1 2 344.459 2.421 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nc(CC)no1)C2 ZINC001148095012 792145261 /nfs/dbraw/zinc/14/52/61/792145261.db2.gz CMOHYNFTVGYJAW-OAHLLOKOSA-N 1 2 344.459 2.421 20 30 EEEDLO C=CCCCC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nc(COC)no1)C2 ZINC001148200010 792216838 /nfs/dbraw/zinc/21/68/38/792216838.db2.gz YKZSWASRBHEKIB-CQSZACIVSA-N 1 2 348.447 2.168 20 30 EEEDLO C=CCCCC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nc(COC)no1)C2 ZINC001148200010 792216847 /nfs/dbraw/zinc/21/68/47/792216847.db2.gz YKZSWASRBHEKIB-CQSZACIVSA-N 1 2 348.447 2.168 20 30 EEEDLO N#CCN1CC[C@]2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@@H]12 ZINC000992034096 792409339 /nfs/dbraw/zinc/40/93/39/792409339.db2.gz VEMIAZDSERXJGD-IEBWSBKVSA-N 1 2 335.411 2.123 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001107987172 793109100 /nfs/dbraw/zinc/10/91/00/793109100.db2.gz JIHJFFHWCJRNQN-GOEBONIOSA-N 1 2 328.403 2.042 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001107987172 793109107 /nfs/dbraw/zinc/10/91/07/793109107.db2.gz JIHJFFHWCJRNQN-GOEBONIOSA-N 1 2 328.403 2.042 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C)o4)C[C@@]3(C)C2)C1 ZINC001091995977 793473798 /nfs/dbraw/zinc/47/37/98/793473798.db2.gz OBCNKZYXFQWVCC-KDOFPFPSSA-N 1 2 330.432 2.015 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C)o4)C[C@@]3(C)C2)C1 ZINC001091995977 793473800 /nfs/dbraw/zinc/47/38/00/793473800.db2.gz OBCNKZYXFQWVCC-KDOFPFPSSA-N 1 2 330.432 2.015 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3cc(C)ccc3s2)[C@@H](O)C1 ZINC001083907128 793547675 /nfs/dbraw/zinc/54/76/75/793547675.db2.gz FCYURCGQRWEBGI-CABCVRRESA-N 1 2 328.437 2.008 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3cc(C)ccc3s2)[C@@H](O)C1 ZINC001083907128 793547681 /nfs/dbraw/zinc/54/76/81/793547681.db2.gz FCYURCGQRWEBGI-CABCVRRESA-N 1 2 328.437 2.008 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)CC(C)(C)C1 ZINC001092084949 793552480 /nfs/dbraw/zinc/55/24/80/793552480.db2.gz XNVWEDDGRRFGMP-HNAYVOBHSA-N 1 2 346.475 2.223 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@H](CNc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001109950857 806269790 /nfs/dbraw/zinc/26/97/90/806269790.db2.gz IYUJTJSOWJMXNU-SWLSCSKDSA-N 1 2 346.479 2.155 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](CNc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001109950855 806270129 /nfs/dbraw/zinc/27/01/29/806270129.db2.gz IYUJTJSOWJMXNU-DOMZBBRYSA-N 1 2 346.479 2.155 20 30 EEEDLO C[C@@H]1C[C@H](Nc2ncccc2C#N)CCN1C(=O)CCn1cc[nH+]c1 ZINC001064817873 793784615 /nfs/dbraw/zinc/78/46/15/793784615.db2.gz XNHSOYHPBNUANI-GDBMZVCRSA-N 1 2 338.415 2.031 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(OC)cs1)c1nccn12 ZINC001092384190 793879574 /nfs/dbraw/zinc/87/95/74/793879574.db2.gz BOAUWZWOBQRYFM-ZDUSSCGKSA-N 1 2 344.440 2.025 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)c1nccn12 ZINC001092397196 793895507 /nfs/dbraw/zinc/89/55/07/793895507.db2.gz SKTDLRZPEIIJSH-KFWWJZLASA-N 1 2 338.411 2.038 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1nccn12 ZINC001092401639 793903142 /nfs/dbraw/zinc/90/31/42/793903142.db2.gz DQGUAEDGQMNCEN-FGTMMUONSA-N 1 2 348.450 2.445 20 30 EEEDLO C=C1CC(C)(C(=O)NC2C[NH+](CCc3ccc4c(c3)CCO4)C2)C1 ZINC001030924298 793916541 /nfs/dbraw/zinc/91/65/41/793916541.db2.gz MSAHBZBRDYAJQA-UHFFFAOYSA-N 1 2 326.440 2.321 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)Oc1ccccc1C ZINC001032657243 793960606 /nfs/dbraw/zinc/96/06/06/793960606.db2.gz CRRPJOVIHYFJPW-BZSNNMDCSA-N 1 2 326.440 2.461 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)Oc1ccccc1C ZINC001032657243 793960611 /nfs/dbraw/zinc/96/06/11/793960611.db2.gz CRRPJOVIHYFJPW-BZSNNMDCSA-N 1 2 326.440 2.461 20 30 EEEDLO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C(F)(F)F)c1C ZINC001032663751 794005124 /nfs/dbraw/zinc/00/51/24/794005124.db2.gz AKMKBVGRSDCETD-QWRGUYRKSA-N 1 2 328.338 2.212 20 30 EEEDLO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C(F)(F)F)c1C ZINC001032663751 794005135 /nfs/dbraw/zinc/00/51/35/794005135.db2.gz AKMKBVGRSDCETD-QWRGUYRKSA-N 1 2 328.338 2.212 20 30 EEEDLO Cc1nc(N2C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C#N)C2)c(C)c(C)[nH+]1 ZINC001092485197 794013430 /nfs/dbraw/zinc/01/34/30/794013430.db2.gz LXSMHYMAQHUAAA-HWWQOWPSSA-N 1 2 329.448 2.140 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2oc(C(F)F)cc2C)[C@@H](O)C1 ZINC001090336026 794014392 /nfs/dbraw/zinc/01/43/92/794014392.db2.gz DIPWYGCZLRNMGR-QWRGUYRKSA-N 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C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CCCOC1 ZINC001079480411 794792968 /nfs/dbraw/zinc/79/29/68/794792968.db2.gz QMPVGQIHIWBNMR-DDUZABMNSA-N 1 2 345.418 2.060 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CCCOC1 ZINC001079480411 794792976 /nfs/dbraw/zinc/79/29/76/794792976.db2.gz QMPVGQIHIWBNMR-DDUZABMNSA-N 1 2 345.418 2.060 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2F)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079542608 794913241 /nfs/dbraw/zinc/91/32/41/794913241.db2.gz YZKXLYFPSRCIPN-PIGZYNQJSA-N 1 2 344.365 2.415 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079542608 794913247 /nfs/dbraw/zinc/91/32/47/794913247.db2.gz YZKXLYFPSRCIPN-PIGZYNQJSA-N 1 2 344.365 2.415 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC000999888243 795042164 /nfs/dbraw/zinc/04/21/64/795042164.db2.gz AJKKXGMAVVZWCB-CQSZACIVSA-N 1 2 332.448 2.315 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(C(C)C)nc2)C1 ZINC001107993056 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20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(Cc3ccccc3)[C@H](CC)C2)C1=O ZINC000337205796 465242965 /nfs/dbraw/zinc/24/29/65/465242965.db2.gz LGAZEOTWRDMEKT-RTBURBONSA-N 1 2 327.472 2.370 20 30 EEEDLO N#CCC[N@@H+](CCCC(=O)c1ccc(F)cc1)CCN1CCOCC1 ZINC000355918531 465280666 /nfs/dbraw/zinc/28/06/66/465280666.db2.gz VHDNWZFKZQIVHQ-UHFFFAOYSA-N 1 2 347.434 2.336 20 30 EEEDLO N#CCC[N@H+](CCCC(=O)c1ccc(F)cc1)CCN1CCOCC1 ZINC000355918531 465280673 /nfs/dbraw/zinc/28/06/73/465280673.db2.gz VHDNWZFKZQIVHQ-UHFFFAOYSA-N 1 2 347.434 2.336 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000342021287 465285640 /nfs/dbraw/zinc/28/56/40/465285640.db2.gz QWHZCGAFUQVDKW-CQSZACIVSA-N 1 2 333.407 2.255 20 30 EEEDLO O=C(NCCn1cnc2ccccc21)C1([NH+]2CCOCC2)CCC1 ZINC000329313287 465296226 /nfs/dbraw/zinc/29/62/26/465296226.db2.gz DDMHFIMPCUQNPZ-UHFFFAOYSA-N 1 2 328.416 2.248 20 30 EEEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCCN(CC(F)F)CC3)o2)c1 ZINC000358772645 465314609 /nfs/dbraw/zinc/31/46/09/465314609.db2.gz 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O=[N+]([O-])c1ccc(O)c(/C=N/C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000128468094 462642891 /nfs/dbraw/zinc/64/28/91/462642891.db2.gz PDUDJDBEZSILFL-MFYXZRBDSA-N 1 2 347.415 2.487 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000064481902 462706722 /nfs/dbraw/zinc/70/67/22/462706722.db2.gz MXQVMZCWVVTEPZ-CQSZACIVSA-N 1 2 349.862 2.179 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000064481902 462706725 /nfs/dbraw/zinc/70/67/25/462706725.db2.gz MXQVMZCWVVTEPZ-CQSZACIVSA-N 1 2 349.862 2.179 20 30 EEEDLO COC(=O)C1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000006913651 462711922 /nfs/dbraw/zinc/71/19/22/462711922.db2.gz JOBFOFCBHLYIGP-UHFFFAOYSA-N 1 2 335.791 2.035 20 30 EEEDLO C=CC[N@@H+](CCOc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000089893961 462736627 /nfs/dbraw/zinc/73/66/27/462736627.db2.gz ZOTAPADMVPCJRE-CQSZACIVSA-N 1 2 329.849 2.394 20 30 EEEDLO C=CC[N@H+](CCOc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000089893961 462736632 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CCn1cc[nH+]c1CN1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000069490882 463259468 /nfs/dbraw/zinc/25/94/68/463259468.db2.gz PLOOTONFHHYPQX-UHFFFAOYSA-N 1 2 327.407 2.232 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161660444 463446892 /nfs/dbraw/zinc/44/68/92/463446892.db2.gz RYJXMCBHHAZSOX-ZLDLUXBVSA-N 1 2 349.397 2.065 20 30 EEEDLO Cc1csc(=O)n1CC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000040513724 463458750 /nfs/dbraw/zinc/45/87/50/463458750.db2.gz XXZROZFBBSJTKL-UHFFFAOYSA-N 1 2 346.431 2.051 20 30 EEEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)C#Cc3ccccc3)CC2)S1 ZINC000085262622 463642785 /nfs/dbraw/zinc/64/27/85/463642785.db2.gz SWPPKAPNLRROOA-UHFFFAOYSA-N 1 2 327.453 2.064 20 30 EEEDLO CC[N@@H+](CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)C[C@@H](C)C#N ZINC000060038272 463648038 /nfs/dbraw/zinc/64/80/38/463648038.db2.gz LATAMLFHQCORNC-KBPBESRZSA-N 1 2 333.432 2.363 20 30 EEEDLO CC[N@H+](CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)C[C@@H](C)C#N ZINC000060038272 463648044 /nfs/dbraw/zinc/64/80/44/463648044.db2.gz LATAMLFHQCORNC-KBPBESRZSA-N 1 2 333.432 2.363 20 30 EEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CCC(N)=O)C2)c(C#N)c1C ZINC000170734553 463701447 /nfs/dbraw/zinc/70/14/47/463701447.db2.gz GQGYKKJPCGEPAW-GXTWGEPZSA-N 1 2 346.431 2.073 20 30 EEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CCC(N)=O)C2)c(C#N)c1C ZINC000170734553 463701449 /nfs/dbraw/zinc/70/14/49/463701449.db2.gz GQGYKKJPCGEPAW-GXTWGEPZSA-N 1 2 346.431 2.073 20 30 EEEDLO CC#CCCCC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000185530576 463838608 /nfs/dbraw/zinc/83/86/08/463838608.db2.gz FDDNOEWQGJNDPT-IBGZPJMESA-N 1 2 328.456 2.240 20 30 EEEDLO CC[C@@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000178149363 463852991 /nfs/dbraw/zinc/85/29/91/463852991.db2.gz XAAGGZJVXHIICV-ZIAGYGMSSA-N 1 2 347.463 2.012 20 30 EEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc(C#N)cc1Cl ZINC000269109755 463877756 /nfs/dbraw/zinc/87/77/56/463877756.db2.gz HOQDAYFUFQJINB-UHFFFAOYSA-N 1 2 336.823 2.444 20 30 EEEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc(C#N)cc1Cl ZINC000269109755 463877763 /nfs/dbraw/zinc/87/77/63/463877763.db2.gz HOQDAYFUFQJINB-UHFFFAOYSA-N 1 2 336.823 2.444 20 30 EEEDLO C=CC1CC[NH+](Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)CC1 ZINC000171953053 463956606 /nfs/dbraw/zinc/95/66/06/463956606.db2.gz XLGVBWQTXYKKCJ-UHFFFAOYSA-N 1 2 329.400 2.338 20 30 EEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000178808887 463980191 /nfs/dbraw/zinc/98/01/91/463980191.db2.gz NFLOXOWLSHBGTA-QGZVFWFLSA-N 1 2 344.459 2.441 20 30 EEEDLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000178808887 463980196 /nfs/dbraw/zinc/98/01/96/463980196.db2.gz NFLOXOWLSHBGTA-QGZVFWFLSA-N 1 2 344.459 2.441 20 30 EEEDLO C=C(CNC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1)c1ccccc1 ZINC000287926609 464024517 /nfs/dbraw/zinc/02/45/17/464024517.db2.gz DIQQGQWFRAFRDO-IBGZPJMESA-N 1 2 342.487 2.121 20 30 EEEDLO NC(=[NH+]OCCOc1cccc(Br)c1)[C@@H]1CCCO1 ZINC000283877512 464032080 /nfs/dbraw/zinc/03/20/80/464032080.db2.gz CQTDJDIXMSYVBK-LBPRGKRZSA-N 1 2 329.194 2.296 20 30 EEEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)C(=O)CCC3)CC1 ZINC000289687741 464090797 /nfs/dbraw/zinc/09/07/97/464090797.db2.gz GTKNEJAVGKAPPK-UHFFFAOYSA-N 1 2 348.468 2.134 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc1F ZINC000270000824 464154159 /nfs/dbraw/zinc/15/41/59/464154159.db2.gz YHAZISHNDSWWDY-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000280301637 464196213 /nfs/dbraw/zinc/19/62/13/464196213.db2.gz QTHBDELKQHGWJL-BFYDXBDKSA-N 1 2 345.443 2.109 20 30 EEEDLO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](CCC#N)CC3)cc2NC1=O ZINC000263863133 464218945 /nfs/dbraw/zinc/21/89/45/464218945.db2.gz AOCQYWSWACNLPV-GFCCVEGCSA-N 1 2 327.384 2.214 20 30 EEEDLO CC(C)[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CCCO1 ZINC000293309601 464398368 /nfs/dbraw/zinc/39/83/68/464398368.db2.gz WXYLJHKVXNYVQR-KRWDZBQOSA-N 1 2 336.457 2.079 20 30 EEEDLO CC(C)[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CCCO1 ZINC000293309601 464398373 /nfs/dbraw/zinc/39/83/73/464398373.db2.gz WXYLJHKVXNYVQR-KRWDZBQOSA-N 1 2 336.457 2.079 20 30 EEEDLO CCC(CC)[C@@H](C(=O)NCc1cc(C#N)ccc1F)[NH+]1CCOCC1 ZINC000174412815 464405763 /nfs/dbraw/zinc/40/57/63/464405763.db2.gz BRXLCXYESZLPGH-SFHVURJKSA-N 1 2 347.434 2.451 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000245729006 464510502 /nfs/dbraw/zinc/51/05/02/464510502.db2.gz SOVZQFMSJGZLSY-UONOGXRCSA-N 1 2 333.398 2.144 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000245729006 464510508 /nfs/dbraw/zinc/51/05/08/464510508.db2.gz SOVZQFMSJGZLSY-UONOGXRCSA-N 1 2 333.398 2.144 20 30 EEEDLO CC[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000272573865 464664604 /nfs/dbraw/zinc/66/46/04/464664604.db2.gz JZYLIFAEZBAZJI-OALUTQOASA-N 1 2 341.455 2.408 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190514476 464665052 /nfs/dbraw/zinc/66/50/52/464665052.db2.gz IHNOLFLWQPGVKY-SFHVURJKSA-N 1 2 348.422 2.118 20 30 EEEDLO C#C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1)C(C)C ZINC000282124069 464706296 /nfs/dbraw/zinc/70/62/96/464706296.db2.gz FUNFMNHWZBJEIH-LSDHHAIUSA-N 1 2 335.473 2.078 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554540785 468416870 /nfs/dbraw/zinc/41/68/70/468416870.db2.gz NDVDLYQDJZAVHZ-DOTOQJQBSA-N 1 2 341.415 2.429 20 30 EEEDLO C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000191996266 464843898 /nfs/dbraw/zinc/84/38/98/464843898.db2.gz PTJKPMBFCDUFTD-ZDUSSCGKSA-N 1 2 338.415 2.484 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)/C=C/c2cccc(C#N)c2)CCO1 ZINC000276289691 464879195 /nfs/dbraw/zinc/87/91/95/464879195.db2.gz NKOSQUIDBAFQNR-MMUANNJHSA-N 1 2 336.395 2.341 20 30 EEEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)n1 ZINC000267045364 464913779 /nfs/dbraw/zinc/91/37/79/464913779.db2.gz PPNUARJUQLYOKL-AWEZNQCLSA-N 1 2 341.415 2.361 20 30 EEEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)n1 ZINC000267045364 464913787 /nfs/dbraw/zinc/91/37/87/464913787.db2.gz PPNUARJUQLYOKL-AWEZNQCLSA-N 1 2 341.415 2.361 20 30 EEEDLO O=C([C@@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1)N1CCOCC1 ZINC000177109383 464931589 /nfs/dbraw/zinc/93/15/89/464931589.db2.gz UIUALYOEXSAEBL-SFHVURJKSA-N 1 2 346.858 2.405 20 30 EEEDLO O=C([C@@H]1CCCC[N@@H+]1CC#Cc1ccc(Cl)cc1)N1CCOCC1 ZINC000177109383 464931596 /nfs/dbraw/zinc/93/15/96/464931596.db2.gz UIUALYOEXSAEBL-SFHVURJKSA-N 1 2 346.858 2.405 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000177415720 465009609 /nfs/dbraw/zinc/00/96/09/465009609.db2.gz QXHBIDBDUQGRBL-KRWDZBQOSA-N 1 2 337.851 2.055 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000329404589 465323690 /nfs/dbraw/zinc/32/36/90/465323690.db2.gz YYZKFFXGHFMKEN-UHFFFAOYSA-N 1 2 326.400 2.312 20 30 EEEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)[C@@H]1CCC[C@H]1O ZINC000329419215 465327603 /nfs/dbraw/zinc/32/76/03/465327603.db2.gz GNRGXMHEFFXZRV-MGPQQGTHSA-N 1 2 334.464 2.255 20 30 EEEDLO CC(C)CNC(=O)NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347959109 465335678 /nfs/dbraw/zinc/33/56/78/465335678.db2.gz OGWAQJOGDRSFSR-UHFFFAOYSA-N 1 2 340.427 2.129 20 30 EEEDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347959109 465335683 /nfs/dbraw/zinc/33/56/83/465335683.db2.gz OGWAQJOGDRSFSR-UHFFFAOYSA-N 1 2 340.427 2.129 20 30 EEEDLO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000329707495 465412668 /nfs/dbraw/zinc/41/26/68/465412668.db2.gz LPNAWEXKMKXVSN-QWHCGFSZSA-N 1 2 333.480 2.122 20 30 EEEDLO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000329707495 465412673 /nfs/dbraw/zinc/41/26/73/465412673.db2.gz LPNAWEXKMKXVSN-QWHCGFSZSA-N 1 2 333.480 2.122 20 30 EEEDLO O=C(N[C@@H]1CCc2c[nH]nc2C1)c1ccccc1C[NH+]1CCOCC1 ZINC000329812095 465440558 /nfs/dbraw/zinc/44/05/58/465440558.db2.gz CEJGEYGKEJIPHP-MRXNPFEDSA-N 1 2 340.427 2.104 20 30 EEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC000329932564 465477604 /nfs/dbraw/zinc/47/76/04/465477604.db2.gz BPIJTKHCZOCCCO-RDBSUJKOSA-N 1 2 325.384 2.197 20 30 EEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC000329932564 465477609 /nfs/dbraw/zinc/47/76/09/465477609.db2.gz BPIJTKHCZOCCCO-RDBSUJKOSA-N 1 2 325.384 2.197 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ncccc1OCCCC#N ZINC000597083113 468437010 /nfs/dbraw/zinc/43/70/10/468437010.db2.gz KOFLJMKEOOFJOR-CHWSQXEVSA-N 1 2 325.372 2.240 20 30 EEEDLO Cc1cn2cc(NC(=O)N3CCC(O[C@H]4CCOC4)CC3)ccc2[nH+]1 ZINC000330097468 465532658 /nfs/dbraw/zinc/53/26/58/465532658.db2.gz ATLWMHNKCDNYQX-INIZCTEOSA-N 1 2 344.415 2.458 20 30 EEEDLO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CCC(F)(C#N)CC1 ZINC000352489452 465532955 /nfs/dbraw/zinc/53/29/55/465532955.db2.gz AEJDCDFHKMKUFW-LLVKDONJSA-N 1 2 336.342 2.190 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000371086077 465588917 /nfs/dbraw/zinc/58/89/17/465588917.db2.gz IHFIXDLJWOUEPQ-QGZVFWFLSA-N 1 2 341.436 2.332 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000371086077 465588924 /nfs/dbraw/zinc/58/89/24/465588924.db2.gz IHFIXDLJWOUEPQ-QGZVFWFLSA-N 1 2 341.436 2.332 20 30 EEEDLO Cc1ccc(CNC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cn1 ZINC000330324179 465611184 /nfs/dbraw/zinc/61/11/84/465611184.db2.gz IGABSDRSSISUIW-ZBFHGGJFSA-N 1 2 329.404 2.047 20 30 EEEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[NH2+][C@H](CC)CC#N ZINC000569136389 468445256 /nfs/dbraw/zinc/44/52/56/468445256.db2.gz AMYWRQVYAPDDIG-GDBMZVCRSA-N 1 2 344.459 2.316 20 30 EEEDLO CCNC(=O)CNC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000330771500 465798681 /nfs/dbraw/zinc/79/86/81/465798681.db2.gz CIIGSNVLSHAVTQ-CYBMUJFWSA-N 1 2 333.436 2.231 20 30 EEEDLO CC#CCCNC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000361282085 465883659 /nfs/dbraw/zinc/88/36/59/465883659.db2.gz OOLSDNANIGQTFM-GOSISDBHSA-N 1 2 329.444 2.081 20 30 EEEDLO CC1CCC(NC(=O)C[NH+]2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000301159005 465911584 /nfs/dbraw/zinc/91/15/84/465911584.db2.gz ONDAPWPPODCBPJ-UHFFFAOYSA-N 1 2 340.471 2.375 20 30 EEEDLO N#Cc1ccc(F)c(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)c1 ZINC000301448111 465966737 /nfs/dbraw/zinc/96/67/37/465966737.db2.gz DSXGMKBYMSEFIU-CQSZACIVSA-N 1 2 341.390 2.308 20 30 EEEDLO N#Cc1ccc(F)c(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)c1 ZINC000301448111 465966743 /nfs/dbraw/zinc/96/67/43/465966743.db2.gz DSXGMKBYMSEFIU-CQSZACIVSA-N 1 2 341.390 2.308 20 30 EEEDLO N#CC1(CCC[N@H+]2CCNC(=O)[C@H]2c2cccs2)CCOCC1 ZINC000366891896 466000636 /nfs/dbraw/zinc/00/06/36/466000636.db2.gz HEEOMXMZMTVRGD-OAHLLOKOSA-N 1 2 333.457 2.322 20 30 EEEDLO N#CC1(CCC[N@@H+]2CCNC(=O)[C@H]2c2cccs2)CCOCC1 ZINC000366891896 466000640 /nfs/dbraw/zinc/00/06/40/466000640.db2.gz HEEOMXMZMTVRGD-OAHLLOKOSA-N 1 2 333.457 2.322 20 30 EEEDLO Cc1nc(C)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1C ZINC000332130071 466402203 /nfs/dbraw/zinc/40/22/03/466402203.db2.gz OCKCMMWWCLNODI-UHFFFAOYSA-N 1 2 349.438 2.232 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000364176684 466687220 /nfs/dbraw/zinc/68/72/20/466687220.db2.gz XNNFKOOJUHYNRA-ZDUSSCGKSA-N 1 2 340.427 2.235 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000364176684 466687223 /nfs/dbraw/zinc/68/72/23/466687223.db2.gz XNNFKOOJUHYNRA-ZDUSSCGKSA-N 1 2 340.427 2.235 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000373889038 466956353 /nfs/dbraw/zinc/95/63/53/466956353.db2.gz ANAIWXXPIFAMDT-WBVHZDCISA-N 1 2 341.415 2.048 20 30 EEEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)s2)C[C@@H]1n1cc[nH+]c1 ZINC000377060328 467012488 /nfs/dbraw/zinc/01/24/88/467012488.db2.gz FUQMFAYMPGJJBR-AAEUAGOBSA-N 1 2 336.442 2.088 20 30 EEEDLO Cc1cc(N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)c(C#N)c[nH+]1 ZINC000425271993 467091233 /nfs/dbraw/zinc/09/12/33/467091233.db2.gz WDDUSQGVGXPHRT-IXDOHACOSA-N 1 2 325.416 2.489 20 30 EEEDLO N#Cc1cccc(OCCCCC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000427992418 467192154 /nfs/dbraw/zinc/19/21/54/467192154.db2.gz MARPLDUWOFKPMD-MRXNPFEDSA-N 1 2 338.411 2.435 20 30 EEEDLO N#CCC1(CNC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000430208067 467409062 /nfs/dbraw/zinc/40/90/62/467409062.db2.gz SATUUSSLXYJYIH-KRWDZBQOSA-N 1 2 342.443 2.053 20 30 EEEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@H]1C ZINC000408316517 467543633 /nfs/dbraw/zinc/54/36/33/467543633.db2.gz QXPGEPWVOKNAMJ-VXGBXAGGSA-N 1 2 341.864 2.315 20 30 EEEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@H]1C ZINC000408316517 467543636 /nfs/dbraw/zinc/54/36/36/467543636.db2.gz QXPGEPWVOKNAMJ-VXGBXAGGSA-N 1 2 341.864 2.315 20 30 EEEDLO CCN1CCN(C(=O)/C=C/c2cccc(C#N)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000492665812 467706847 /nfs/dbraw/zinc/70/68/47/467706847.db2.gz DTQBOIDUNYYFTI-LXXRFIIISA-N 1 2 335.411 2.200 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1ccc(Br)o1 ZINC000493052779 467829245 /nfs/dbraw/zinc/82/92/45/467829245.db2.gz QJXBZQBOUJMWFZ-VGVVRCBHSA-N 1 2 326.194 2.015 20 30 EEEDLO CC(C)C[C@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)[NH+]1CCOCC1 ZINC000517281600 468079829 /nfs/dbraw/zinc/07/98/29/468079829.db2.gz AIABTPTVPMHWBN-APWZRJJASA-N 1 2 333.476 2.324 20 30 EEEDLO CC(C)CN1C[C@H]2C[N@H+](Cc3cccc(C#N)c3F)CCN2C1=O ZINC000488781498 468104747 /nfs/dbraw/zinc/10/47/47/468104747.db2.gz JIJATKZVXRGABM-MRXNPFEDSA-N 1 2 330.407 2.275 20 30 EEEDLO CC(C)CN1C[C@H]2C[N@@H+](Cc3cccc(C#N)c3F)CCN2C1=O ZINC000488781498 468104749 /nfs/dbraw/zinc/10/47/49/468104749.db2.gz JIJATKZVXRGABM-MRXNPFEDSA-N 1 2 330.407 2.275 20 30 EEEDLO C=CCCCS(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000489074499 468118922 /nfs/dbraw/zinc/11/89/22/468118922.db2.gz MSNFRQCQBGQYPH-INIZCTEOSA-N 1 2 349.456 2.404 20 30 EEEDLO Cc1sc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1Br ZINC000566309403 468150085 /nfs/dbraw/zinc/15/00/85/468150085.db2.gz PCZZYDJLLMGBSE-LBPRGKRZSA-N 1 2 330.251 2.393 20 30 EEEDLO C[C@@H](C#N)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000578269051 468200726 /nfs/dbraw/zinc/20/07/26/468200726.db2.gz RDUXAIHFXRZUQM-QMMMGPOBSA-N 1 2 345.140 2.449 20 30 EEEDLO Cc1cc(C#N)cnc1C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000551044397 468231019 /nfs/dbraw/zinc/23/10/19/468231019.db2.gz MIYFBOYKICFFQL-UHFFFAOYSA-N 1 2 331.379 2.652 20 30 EEEDLO C#CCN(CC#CC)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000490701912 468237128 /nfs/dbraw/zinc/23/71/28/468237128.db2.gz YSMDBXNDWKPXEM-KRWDZBQOSA-N 1 2 338.386 2.317 20 30 EEEDLO C=CCC1(CNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCCC1 ZINC000556768082 468569197 /nfs/dbraw/zinc/56/91/97/468569197.db2.gz MILHVNWGDABBGX-UHFFFAOYSA-N 1 2 331.464 2.373 20 30 EEEDLO Cc1ccc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)cc1F ZINC000600564915 468593432 /nfs/dbraw/zinc/59/34/32/468593432.db2.gz ZGDFJMKEEZHNJU-UHFFFAOYSA-N 1 2 341.386 2.048 20 30 EEEDLO C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c2ccccc2S1 ZINC000592145456 468636790 /nfs/dbraw/zinc/63/67/90/468636790.db2.gz VXJOOWCDRMLGQY-KBXCAEBGSA-N 1 2 345.468 2.254 20 30 EEEDLO C[C@H]1CCN(C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c2ccccc2S1 ZINC000592145456 468636795 /nfs/dbraw/zinc/63/67/95/468636795.db2.gz VXJOOWCDRMLGQY-KBXCAEBGSA-N 1 2 345.468 2.254 20 30 EEEDLO C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c2ccccc2S1 ZINC000592145458 468636850 /nfs/dbraw/zinc/63/68/50/468636850.db2.gz VXJOOWCDRMLGQY-KDOFPFPSSA-N 1 2 345.468 2.254 20 30 EEEDLO C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c2ccccc2S1 ZINC000592145458 468636853 /nfs/dbraw/zinc/63/68/53/468636853.db2.gz VXJOOWCDRMLGQY-KDOFPFPSSA-N 1 2 345.468 2.254 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146788 468636913 /nfs/dbraw/zinc/63/69/13/468636913.db2.gz KLMCAHJPMORYJQ-ABAIWWIYSA-N 1 2 341.333 2.383 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146788 468636916 /nfs/dbraw/zinc/63/69/16/468636916.db2.gz KLMCAHJPMORYJQ-ABAIWWIYSA-N 1 2 341.333 2.383 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000592149862 468640335 /nfs/dbraw/zinc/64/03/35/468640335.db2.gz YINFXKXEHSFMLF-WOJBJXKFSA-N 1 2 341.455 2.385 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000592149862 468640339 /nfs/dbraw/zinc/64/03/39/468640339.db2.gz YINFXKXEHSFMLF-WOJBJXKFSA-N 1 2 341.455 2.385 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000583184148 468657261 /nfs/dbraw/zinc/65/72/61/468657261.db2.gz ZCORONGDMNYWLK-QYZOEREBSA-N 1 2 344.455 2.076 20 30 EEEDLO CCCCNC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000600829563 468667324 /nfs/dbraw/zinc/66/73/24/468667324.db2.gz KREKIQACFAVRPH-YJBOKZPZSA-N 1 2 346.450 2.313 20 30 EEEDLO C[C@]1(c2ccccc2)C[N@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000592501261 468713161 /nfs/dbraw/zinc/71/31/61/468713161.db2.gz OIEKKOGHADAKLX-LJQANCHMSA-N 1 2 333.395 2.349 20 30 EEEDLO C[C@]1(c2ccccc2)C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000592501261 468713163 /nfs/dbraw/zinc/71/31/63/468713163.db2.gz OIEKKOGHADAKLX-LJQANCHMSA-N 1 2 333.395 2.349 20 30 EEEDLO C[C@H](C#N)N(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000598125475 468773102 /nfs/dbraw/zinc/77/31/02/468773102.db2.gz KZTJFDPWTWIYEW-LLVKDONJSA-N 1 2 325.328 2.297 20 30 EEEDLO C[NH+]1CCN(S(=O)(=O)c2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000592988612 468834205 /nfs/dbraw/zinc/83/42/05/468834205.db2.gz LLYQLEXMMGRKBR-UHFFFAOYSA-N 1 2 347.465 2.223 20 30 EEEDLO N#CC1(CC(=O)N(CC[NH+]2CCOCC2)CC2CC2)CCCCC1 ZINC000598340889 468836680 /nfs/dbraw/zinc/83/66/80/468836680.db2.gz PWIMHYBREZOYJM-UHFFFAOYSA-N 1 2 333.476 2.421 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000571830749 468844923 /nfs/dbraw/zinc/84/49/23/468844923.db2.gz GUYBRRAPLVAAAX-KGLIPLIRSA-N 1 2 346.406 2.015 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000571830749 468844927 /nfs/dbraw/zinc/84/49/27/468844927.db2.gz GUYBRRAPLVAAAX-KGLIPLIRSA-N 1 2 346.406 2.015 20 30 EEEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000601431543 468870625 /nfs/dbraw/zinc/87/06/25/468870625.db2.gz PLXKJUXGXFKUGU-MFKMUULPSA-N 1 2 334.376 2.187 20 30 EEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCn2c[nH+]cc2C1 ZINC000595492100 468875099 /nfs/dbraw/zinc/87/50/99/468875099.db2.gz URLCTOUDYAGGKE-CSLYMUCUSA-N 1 2 329.448 2.018 20 30 EEEDLO Cc1cccc(N(CCC#N)C(=O)CN(C)Cc2c[nH+]c[nH]2)c1C ZINC000595596814 468916854 /nfs/dbraw/zinc/91/68/54/468916854.db2.gz NYHNZAGBBKIDCN-UHFFFAOYSA-N 1 2 325.416 2.405 20 30 EEEDLO Cc1cccc(N(CCC#N)C(=O)CN(C)Cc2c[nH]c[nH+]2)c1C ZINC000595596814 468916858 /nfs/dbraw/zinc/91/68/58/468916858.db2.gz NYHNZAGBBKIDCN-UHFFFAOYSA-N 1 2 325.416 2.405 20 30 EEEDLO N#CC[C@H]1CCC[N@@H+](Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C1 ZINC000595616154 468925142 /nfs/dbraw/zinc/92/51/42/468925142.db2.gz QPPAOCXLIGXIBO-GFCCVEGCSA-N 1 2 341.394 2.462 20 30 EEEDLO N#CC[C@H]1CCC[N@H+](Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C1 ZINC000595616154 468925149 /nfs/dbraw/zinc/92/51/49/468925149.db2.gz QPPAOCXLIGXIBO-GFCCVEGCSA-N 1 2 341.394 2.462 20 30 EEEDLO N#Cc1ccsc1N1CC[C@H](N2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000610581837 469009606 /nfs/dbraw/zinc/00/96/06/469009606.db2.gz QWGIENKSUZZXPH-GJZGRUSLSA-N 1 2 341.440 2.259 20 30 EEEDLO Cc1cc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)nn1CCC#N ZINC000572972222 469033225 /nfs/dbraw/zinc/03/32/25/469033225.db2.gz SAMFIAIMTCYYTK-INIZCTEOSA-N 1 2 345.834 3.000 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CC(C)(C)CC#N)c1ccccc1 ZINC000562703931 469042139 /nfs/dbraw/zinc/04/21/39/469042139.db2.gz VEENZQNPCJMEQQ-HNNXBMFYSA-N 1 2 346.456 2.369 20 30 EEEDLO COC1CCC(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000614791065 469055265 /nfs/dbraw/zinc/05/52/65/469055265.db2.gz ONSSOYBNTGCAGD-UHFFFAOYSA-N 1 2 341.455 2.408 20 30 EEEDLO CCNc1nc(N[C@H](C)c2cccc(C#N)c2)nc(NC(C)(C)C)[nH+]1 ZINC000587989023 469098828 /nfs/dbraw/zinc/09/88/28/469098828.db2.gz ZYWIBAVYIHJQTP-GFCCVEGCSA-N 1 2 339.447 2.402 20 30 EEEDLO CCNc1nc(NC(C)(C)C)nc(N[C@H](C)c2cccc(C#N)c2)[nH+]1 ZINC000587989023 469098838 /nfs/dbraw/zinc/09/88/38/469098838.db2.gz ZYWIBAVYIHJQTP-GFCCVEGCSA-N 1 2 339.447 2.402 20 30 EEEDLO CCNc1nc(N[C@H](C)c2cccc(C#N)c2)[nH+]c(NC(C)(C)C)n1 ZINC000587989023 469098845 /nfs/dbraw/zinc/09/88/45/469098845.db2.gz ZYWIBAVYIHJQTP-GFCCVEGCSA-N 1 2 339.447 2.402 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000573910856 469228236 /nfs/dbraw/zinc/22/82/36/469228236.db2.gz VAFQKLZGZIWCKG-QYZOEREBSA-N 1 2 344.455 2.076 20 30 EEEDLO C[NH+](C)[C@@H](C(=O)Nc1ccn(CCC#N)n1)c1ccc(Cl)cc1 ZINC000563350037 469234736 /nfs/dbraw/zinc/23/47/36/469234736.db2.gz XHSMMOHMMPXVNV-OAHLLOKOSA-N 1 2 331.807 2.692 20 30 EEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000599420486 469250117 /nfs/dbraw/zinc/25/01/17/469250117.db2.gz DCQLMEXCTVQTTR-FVRSWCFKSA-N 1 2 329.448 2.087 20 30 EEEDLO COc1cc(C#N)ccc1CN1CCc2[nH+]c[nH]c2[C@@H]1c1ccnn1C ZINC000599444978 469261301 /nfs/dbraw/zinc/26/13/01/469261301.db2.gz OQWQJEBQNBHEFP-IBGZPJMESA-N 1 2 348.410 2.171 20 30 EEEDLO N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000611566528 469281844 /nfs/dbraw/zinc/28/18/44/469281844.db2.gz SEVFPARDAMHWRV-GOEBONIOSA-N 1 2 328.416 2.333 20 30 EEEDLO Cc1nccc([C@H]2CCC[N@H+](CC(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000603833996 469434537 /nfs/dbraw/zinc/43/45/37/469434537.db2.gz CFBLDIPLMWJBJC-INIZCTEOSA-N 1 2 335.411 2.475 20 30 EEEDLO Cc1nccc([C@H]2CCC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000603833996 469434541 /nfs/dbraw/zinc/43/45/41/469434541.db2.gz CFBLDIPLMWJBJC-INIZCTEOSA-N 1 2 335.411 2.475 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)NCCNc2cccc[nH+]2)cc1 ZINC000609112994 469891040 /nfs/dbraw/zinc/89/10/40/469891040.db2.gz SXIICEMMTVNVCN-QGZVFWFLSA-N 1 2 335.411 2.150 20 30 EEEDLO Cc1cc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000618176976 469914098 /nfs/dbraw/zinc/91/40/98/469914098.db2.gz DWTMYPURPRRREM-OAHLLOKOSA-N 1 2 330.413 2.089 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000609485204 469931724 /nfs/dbraw/zinc/93/17/24/469931724.db2.gz LBRVHHHEOXONIT-PKOBYXMFSA-N 1 2 342.487 2.199 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N(C)CC2CCCCC2)CC1 ZINC000609539047 469937663 /nfs/dbraw/zinc/93/76/63/469937663.db2.gz QTNNEFRYBCJMCI-GOSISDBHSA-N 1 2 334.508 2.191 20 30 EEEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000610079699 469979294 /nfs/dbraw/zinc/97/92/94/469979294.db2.gz ZJYUOQJKLGRKIX-CYBMUJFWSA-N 1 2 327.306 2.150 20 30 EEEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000610079699 469979296 /nfs/dbraw/zinc/97/92/96/469979296.db2.gz ZJYUOQJKLGRKIX-CYBMUJFWSA-N 1 2 327.306 2.150 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)[C@@H](C)COC ZINC000661245838 471686994 /nfs/dbraw/zinc/68/69/94/471686994.db2.gz FRQZSVFVZFDABK-HNNXBMFYSA-N 1 2 345.443 2.275 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)[C@@H](C)COC ZINC000661245838 471686999 /nfs/dbraw/zinc/68/69/99/471686999.db2.gz FRQZSVFVZFDABK-HNNXBMFYSA-N 1 2 345.443 2.275 20 30 EEEDLO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000195673395 534579529 /nfs/dbraw/zinc/57/95/29/534579529.db2.gz HCOICYKPUOUMBB-XHDPSFHLSA-N 1 2 348.834 2.139 20 30 EEEDLO CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000195673395 534579534 /nfs/dbraw/zinc/57/95/34/534579534.db2.gz HCOICYKPUOUMBB-XHDPSFHLSA-N 1 2 348.834 2.139 20 30 EEEDLO CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1ncc(C#N)cn1)CC2 ZINC000496046224 534804886 /nfs/dbraw/zinc/80/48/86/534804886.db2.gz ULUWETZDZSYHGF-UHFFFAOYSA-N 1 2 343.431 2.324 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000115604655 526537714 /nfs/dbraw/zinc/53/77/14/526537714.db2.gz NEMVQHOTOISEMS-LSDHHAIUSA-N 1 2 342.447 2.126 20 30 EEEDLO C#CC[N@@H+](C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000192228886 526801307 /nfs/dbraw/zinc/80/13/07/526801307.db2.gz VSMFFYICUCGUMZ-UHFFFAOYSA-N 1 2 329.183 2.284 20 30 EEEDLO C#CC[N@H+](C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000192228886 526801310 /nfs/dbraw/zinc/80/13/10/526801310.db2.gz VSMFFYICUCGUMZ-UHFFFAOYSA-N 1 2 329.183 2.284 20 30 EEEDLO C=CC[C@H](CC)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000356376765 527160562 /nfs/dbraw/zinc/16/05/62/527160562.db2.gz PNQPLILZZPEVTL-RDJZCZTQSA-N 1 2 346.475 2.488 20 30 EEEDLO C=CC[C@H](CC)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000356376765 527160566 /nfs/dbraw/zinc/16/05/66/527160566.db2.gz PNQPLILZZPEVTL-RDJZCZTQSA-N 1 2 346.475 2.488 20 30 EEEDLO CCOC(=O)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)[C@@H](C)CC ZINC000181628950 528038341 /nfs/dbraw/zinc/03/83/41/528038341.db2.gz YUYKZPYYPQGKOI-SUMWQHHRSA-N 1 2 331.416 2.454 20 30 EEEDLO CCCCC[N@H+](CC(N)=O)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192771246 528167700 /nfs/dbraw/zinc/16/77/00/528167700.db2.gz QXEMLFUUXQSQHF-QGZVFWFLSA-N 1 2 342.443 2.031 20 30 EEEDLO CCCCC[N@@H+](CC(N)=O)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192771246 528167702 /nfs/dbraw/zinc/16/77/02/528167702.db2.gz QXEMLFUUXQSQHF-QGZVFWFLSA-N 1 2 342.443 2.031 20 30 EEEDLO CCOCCOCC[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000190268512 528802377 /nfs/dbraw/zinc/80/23/77/528802377.db2.gz OJEWLJTYQJQYMZ-UHFFFAOYSA-N 1 2 330.388 2.093 20 30 EEEDLO CCOCCOCC[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000190268512 528802380 /nfs/dbraw/zinc/80/23/80/528802380.db2.gz OJEWLJTYQJQYMZ-UHFFFAOYSA-N 1 2 330.388 2.093 20 30 EEEDLO CCN1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1=O ZINC000495216174 535684265 /nfs/dbraw/zinc/68/42/65/535684265.db2.gz VXNCBKXVDGEGJX-GFCCVEGCSA-N 1 2 348.834 2.093 20 30 EEEDLO CCN1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1=O ZINC000495216174 535684269 /nfs/dbraw/zinc/68/42/69/535684269.db2.gz VXNCBKXVDGEGJX-GFCCVEGCSA-N 1 2 348.834 2.093 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)cn1 ZINC000728803030 576530841 /nfs/dbraw/zinc/53/08/41/576530841.db2.gz MQNLTQJDUJILHA-KRWDZBQOSA-N 1 2 334.354 2.455 20 30 EEEDLO C=C1CC[NH+](CC2=C(C(=O)OCC)[C@@H](c3ccco3)NC(=O)N2)CC1 ZINC000731032281 577076602 /nfs/dbraw/zinc/07/66/02/577076602.db2.gz GYVRORADEPMTKB-MRXNPFEDSA-N 1 2 345.399 2.103 20 30 EEEDLO Cc1cccn2cc(CC(=O)OCC(=O)Nc3cccc(C#N)c3)[nH+]c12 ZINC000731914548 577133918 /nfs/dbraw/zinc/13/39/18/577133918.db2.gz MTZZBEVOPRKOCP-UHFFFAOYSA-N 1 2 348.362 2.239 20 30 EEEDLO Cc1cccn2cc(COc3ccc(C=NOCC(N)=O)cc3)[nH+]c12 ZINC000771575258 577218769 /nfs/dbraw/zinc/21/87/69/577218769.db2.gz VEGZIFGAAWBUEE-UHFFFAOYSA-N 1 2 338.367 2.058 20 30 EEEDLO C#CCOc1ccccc1CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000734171429 577280006 /nfs/dbraw/zinc/28/00/06/577280006.db2.gz IXGQNMLYWYTSKA-UHFFFAOYSA-N 1 2 334.379 2.346 20 30 EEEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]OC1CCOCC1 ZINC000774443330 577399235 /nfs/dbraw/zinc/39/92/35/577399235.db2.gz ZSYYELNQAPJFKC-UHFFFAOYSA-N 1 2 326.356 2.014 20 30 EEEDLO C#C[C@H]([NH2+]Cc1cc2c(cc1Br)OCO2)[C@@H]1CCCO1 ZINC000775342687 577435442 /nfs/dbraw/zinc/43/54/42/577435442.db2.gz SLJKOZNZNFBBLF-STQMWFEESA-N 1 2 338.201 2.448 20 30 EEEDLO COc1ccc(NC(=S)NN=Cc2ccc[nH+]c2N)cc1OC ZINC000764667610 577486414 /nfs/dbraw/zinc/48/64/14/577486414.db2.gz RCMIZSRZCMVFNJ-UHFFFAOYSA-N 1 2 331.401 2.002 20 30 EEEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)N3CCCC3)CC2)cc1 ZINC000768225561 577552337 /nfs/dbraw/zinc/55/23/37/577552337.db2.gz IMVOMHYFOVAKDI-INIZCTEOSA-N 1 2 342.443 2.311 20 30 EEEDLO C=CCC(CC=C)C(=O)OCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000759004573 577635447 /nfs/dbraw/zinc/63/54/47/577635447.db2.gz IBBCSVBFCKWFAH-UHFFFAOYSA-N 1 2 346.427 2.235 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CN2c3ccccc3S[C@H](C)[C@H]2C)CC1 ZINC000759345596 577641389 /nfs/dbraw/zinc/64/13/89/577641389.db2.gz JJOAFFZDHNVJJR-HZPDHXFCSA-N 1 2 343.496 2.153 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2cc(F)c(C(F)(F)F)c(F)c2)CC1 ZINC000760330427 577660876 /nfs/dbraw/zinc/66/08/76/577660876.db2.gz ACOMSZYWPGNYCO-UHFFFAOYSA-N 1 2 332.272 2.375 20 30 EEEDLO CC(C)(C)CC(=O)N1CCC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)CC1 ZINC000753934031 577796485 /nfs/dbraw/zinc/79/64/85/577796485.db2.gz GKNXLNYOBYBPMW-HUUCEWRRSA-N 1 2 333.480 2.261 20 30 EEEDLO COC[C@@H](C#N)OC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000754953326 577816945 /nfs/dbraw/zinc/81/69/45/577816945.db2.gz PKPISMSFSGGPSX-OAHLLOKOSA-N 1 2 326.356 2.093 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](C#N)C1 ZINC000758034173 577868689 /nfs/dbraw/zinc/86/86/89/577868689.db2.gz FJFPOTNMPLQQCR-FZMZJTMJSA-N 1 2 332.429 2.468 20 30 EEEDLO C#CC[N@H+](CC(=O)NCCOc1ccccc1)Cc1ccc(F)cc1 ZINC000744211418 577894654 /nfs/dbraw/zinc/89/46/54/577894654.db2.gz NFVFSDDCOXYOIA-UHFFFAOYSA-N 1 2 340.398 2.456 20 30 EEEDLO C#CC[N@@H+](CC(=O)NCCOc1ccccc1)Cc1ccc(F)cc1 ZINC000744211418 577894655 /nfs/dbraw/zinc/89/46/55/577894655.db2.gz NFVFSDDCOXYOIA-UHFFFAOYSA-N 1 2 340.398 2.456 20 30 EEEDLO CC(C)[C@H](C(=O)OCc1ccnc(C#N)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000747065220 577938630 /nfs/dbraw/zinc/93/86/30/577938630.db2.gz UZZLMVIGZNNCBB-CKEIUWERSA-N 1 2 331.416 2.130 20 30 EEEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000735402642 578152348 /nfs/dbraw/zinc/15/23/48/578152348.db2.gz FFMSWZRYIXJGJE-LLVKDONJSA-N 1 2 346.822 2.499 20 30 EEEDLO C[C@@H](NC(=O)c1ccn(C)c1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969493130 675074115 /nfs/dbraw/zinc/07/41/15/675074115.db2.gz HIQYSHBIXWWOTD-CYBMUJFWSA-N 1 2 340.402 2.286 20 30 EEEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2cccc(F)c2F)C1 ZINC000969526870 675089105 /nfs/dbraw/zinc/08/91/05/675089105.db2.gz QKNSLLJVIWOMGR-NSHDSACASA-N 1 2 344.365 2.415 20 30 EEEDLO C[C@@H](NC(=O)[C@H]1OCC[C@H]1C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970441195 675897732 /nfs/dbraw/zinc/89/77/32/675897732.db2.gz FCALGYLDRGQHNW-VFVRVIDISA-N 1 2 345.418 2.059 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ncc(C)s2)C1 ZINC000970571250 675992486 /nfs/dbraw/zinc/99/24/86/675992486.db2.gz ISRSBNWMPYZCON-QRTARXTBSA-N 1 2 349.500 2.369 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970595559 676010751 /nfs/dbraw/zinc/01/07/51/676010751.db2.gz FCZUYUCDOUQAED-LBPRGKRZSA-N 1 2 337.427 2.149 20 30 EEEDLO C=C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1)c1ccccc1 ZINC000970777075 676142806 /nfs/dbraw/zinc/14/28/06/676142806.db2.gz LMVSLQHUWFOVRY-ZBFHGGJFSA-N 1 2 328.441 2.198 20 30 EEEDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000969877499 675276058 /nfs/dbraw/zinc/27/60/58/675276058.db2.gz LUFFSDLNQUGYFX-FSPWUOQZSA-N 1 2 349.438 2.022 20 30 EEEDLO Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)cc1F ZINC001038171995 675278786 /nfs/dbraw/zinc/27/87/86/675278786.db2.gz DCIWUQRGJOEHLY-HNNXBMFYSA-N 1 2 326.375 2.338 20 30 EEEDLO Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)cc1F ZINC001038171995 675278787 /nfs/dbraw/zinc/27/87/87/675278787.db2.gz DCIWUQRGJOEHLY-HNNXBMFYSA-N 1 2 326.375 2.338 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccnc2N2CCCC2)C1 ZINC000970070414 675441534 /nfs/dbraw/zinc/44/15/34/675441534.db2.gz GXKZRENNLOWCJY-AWEZNQCLSA-N 1 2 348.878 2.484 20 30 EEEDLO C=CCOc1cccnc1C(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001058959615 675533099 /nfs/dbraw/zinc/53/30/99/675533099.db2.gz CNWLIMXIFGMZCA-AWEZNQCLSA-N 1 2 339.399 2.071 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc[nH]c3C(C)C)CC2)C1 ZINC000949447299 676318311 /nfs/dbraw/zinc/31/83/11/676318311.db2.gz PGWNCQAPPFJFEL-UHFFFAOYSA-N 1 2 329.444 2.078 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc[nH]c3C(C)C)CC2)C1 ZINC000949447299 676318314 /nfs/dbraw/zinc/31/83/14/676318314.db2.gz PGWNCQAPPFJFEL-UHFFFAOYSA-N 1 2 329.444 2.078 20 30 EEEDLO CCc1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3C#N)C2)n[nH]1 ZINC000971117034 676386894 /nfs/dbraw/zinc/38/68/94/676386894.db2.gz NERMGEHTDPPSBG-KRWDZBQOSA-N 1 2 337.427 2.190 20 30 EEEDLO CCc1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3C#N)C2)n[nH]1 ZINC000971117034 676386896 /nfs/dbraw/zinc/38/68/96/676386896.db2.gz NERMGEHTDPPSBG-KRWDZBQOSA-N 1 2 337.427 2.190 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3ccon3)C2)ccc1F ZINC001006838597 676426955 /nfs/dbraw/zinc/42/69/55/676426955.db2.gz HEMSQKXXGHATCJ-AWEZNQCLSA-N 1 2 328.347 2.080 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)c3ccon3)C2)ccc1F ZINC001006838597 676426957 /nfs/dbraw/zinc/42/69/57/676426957.db2.gz HEMSQKXXGHATCJ-AWEZNQCLSA-N 1 2 328.347 2.080 20 30 EEEDLO CC(C)c1noc([C@H](C)[N@H+](C)[C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC000971504843 676603443 /nfs/dbraw/zinc/60/34/43/676603443.db2.gz OSHWPOSBLXHQBD-ZFWWWQNUSA-N 1 2 330.432 2.200 20 30 EEEDLO CC(C)c1noc([C@H](C)[N@@H+](C)[C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC000971504843 676603444 /nfs/dbraw/zinc/60/34/44/676603444.db2.gz OSHWPOSBLXHQBD-ZFWWWQNUSA-N 1 2 330.432 2.200 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(CC)n2)C1 ZINC000971686798 676740460 /nfs/dbraw/zinc/74/04/60/676740460.db2.gz FUQHCPVPAHMMAI-QGZVFWFLSA-N 1 2 341.459 2.237 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(CC)n2)C1 ZINC000971686798 676740461 /nfs/dbraw/zinc/74/04/61/676740461.db2.gz FUQHCPVPAHMMAI-QGZVFWFLSA-N 1 2 341.459 2.237 20 30 EEEDLO COC1CC(C(=O)N2CC[C@@H]([N@H+](C)Cc3cc(F)ccc3C#N)C2)C1 ZINC000971748357 676776126 /nfs/dbraw/zinc/77/61/26/676776126.db2.gz OHALAKAAYANQMK-ZCDVPAHGSA-N 1 2 345.418 2.155 20 30 EEEDLO COC1CC(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(F)ccc3C#N)C2)C1 ZINC000971748357 676776127 /nfs/dbraw/zinc/77/61/27/676776127.db2.gz OHALAKAAYANQMK-ZCDVPAHGSA-N 1 2 345.418 2.155 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3noc(CC(C)C)n3)C2)C1 ZINC001022679584 678213540 /nfs/dbraw/zinc/21/35/40/678213540.db2.gz BURJKGBFUNPFEL-OKILXGFUSA-N 1 2 332.448 2.361 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncoc2C(C)C)C1 ZINC000972373542 678621101 /nfs/dbraw/zinc/62/11/01/678621101.db2.gz MHLAOOZOYLOYMR-UXLLHSPISA-N 1 2 347.459 2.422 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncoc2C(C)C)C1 ZINC000972373542 678621105 /nfs/dbraw/zinc/62/11/05/678621105.db2.gz MHLAOOZOYLOYMR-UXLLHSPISA-N 1 2 347.459 2.422 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccc(F)cc3)C2)C1 ZINC000972453344 678771290 /nfs/dbraw/zinc/77/12/90/678771290.db2.gz KXHFVDOSZOKETD-FQEVSTJZSA-N 1 2 344.430 2.085 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccc(F)cc3)C2)C1 ZINC000972453344 678771291 /nfs/dbraw/zinc/77/12/91/678771291.db2.gz KXHFVDOSZOKETD-FQEVSTJZSA-N 1 2 344.430 2.085 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)[C@@H](C)CO4)C2)C1 ZINC000972515502 679134243 /nfs/dbraw/zinc/13/42/43/679134243.db2.gz XMBGVMGJYMDNNZ-YWZLYKJASA-N 1 2 342.439 2.285 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)[C@@H](C)CO4)C2)C1 ZINC000972515502 679134245 /nfs/dbraw/zinc/13/42/45/679134245.db2.gz XMBGVMGJYMDNNZ-YWZLYKJASA-N 1 2 342.439 2.285 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCCC3(F)F)C2)C1 ZINC000972519756 679145543 /nfs/dbraw/zinc/14/55/43/679145543.db2.gz YQGMNAATUNFPOY-WBVHZDCISA-N 1 2 340.414 2.139 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCCC3(F)F)C2)C1 ZINC000972519756 679145544 /nfs/dbraw/zinc/14/55/44/679145544.db2.gz YQGMNAATUNFPOY-WBVHZDCISA-N 1 2 340.414 2.139 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ncsc3C3CC3)C2)C1 ZINC000972551613 679260479 /nfs/dbraw/zinc/26/04/79/679260479.db2.gz FCJZDHVYNFKOKV-QGZVFWFLSA-N 1 2 333.457 2.123 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ncsc3C3CC3)C2)C1 ZINC000972551613 679260481 /nfs/dbraw/zinc/26/04/81/679260481.db2.gz FCJZDHVYNFKOKV-QGZVFWFLSA-N 1 2 333.457 2.123 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(Cl)s3)C2)C1 ZINC000972665179 679542464 /nfs/dbraw/zinc/54/24/64/679542464.db2.gz VHUXNCRMVIQOEU-INIZCTEOSA-N 1 2 338.860 2.342 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(Cl)s3)C2)C1 ZINC000972665179 679542467 /nfs/dbraw/zinc/54/24/67/679542467.db2.gz VHUXNCRMVIQOEU-INIZCTEOSA-N 1 2 338.860 2.342 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cc3ccccc3)C2)C1 ZINC000972684222 679599282 /nfs/dbraw/zinc/59/92/82/679599282.db2.gz JBTZYSRDCPCHDB-RXVVDRJESA-N 1 2 340.467 2.192 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cc3ccccc3)C2)C1 ZINC000972684222 679599284 /nfs/dbraw/zinc/59/92/84/679599284.db2.gz JBTZYSRDCPCHDB-RXVVDRJESA-N 1 2 340.467 2.192 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncc(C)s3)C2)nc1 ZINC000972753178 679747176 /nfs/dbraw/zinc/74/71/76/679747176.db2.gz RGCIXBZWSUMIOR-OAHLLOKOSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncc(C)s3)C2)nc1 ZINC000972753178 679747178 /nfs/dbraw/zinc/74/71/78/679747178.db2.gz RGCIXBZWSUMIOR-OAHLLOKOSA-N 1 2 340.452 2.174 20 30 EEEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1ccon1 ZINC000972827776 679808019 /nfs/dbraw/zinc/80/80/19/679808019.db2.gz UAUSYLXFJAJXAH-MRXNPFEDSA-N 1 2 342.374 2.326 20 30 EEEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1ccon1 ZINC000972827776 679808020 /nfs/dbraw/zinc/80/80/20/679808020.db2.gz UAUSYLXFJAJXAH-MRXNPFEDSA-N 1 2 342.374 2.326 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)[nH]n1 ZINC001024342352 679877829 /nfs/dbraw/zinc/87/78/29/679877829.db2.gz RXNXFYLXWAQMMF-QGZVFWFLSA-N 1 2 337.427 2.374 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)[nH]n1 ZINC001024342352 679877830 /nfs/dbraw/zinc/87/78/30/679877830.db2.gz RXNXFYLXWAQMMF-QGZVFWFLSA-N 1 2 337.427 2.374 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)cs1 ZINC001024399838 679889915 /nfs/dbraw/zinc/88/99/15/679889915.db2.gz PHVXSMHZMNMPBM-MRXNPFEDSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)cs1 ZINC001024399838 679889916 /nfs/dbraw/zinc/88/99/16/679889916.db2.gz PHVXSMHZMNMPBM-MRXNPFEDSA-N 1 2 343.456 2.436 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C(N)=O)c1 ZINC001024515232 680017502 /nfs/dbraw/zinc/01/75/02/680017502.db2.gz OLRQUQHMMRKQCH-OAHLLOKOSA-N 1 2 335.835 2.122 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C(N)=O)c1 ZINC001024515232 680017507 /nfs/dbraw/zinc/01/75/07/680017507.db2.gz OLRQUQHMMRKQCH-OAHLLOKOSA-N 1 2 335.835 2.122 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001067491842 680064714 /nfs/dbraw/zinc/06/47/14/680064714.db2.gz LBGZQJJDXJKVSH-UHFFFAOYSA-N 1 2 346.475 2.418 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001067491842 680064717 /nfs/dbraw/zinc/06/47/17/680064717.db2.gz LBGZQJJDXJKVSH-UHFFFAOYSA-N 1 2 346.475 2.418 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2cnco2)cc1F ZINC001024582793 681235777 /nfs/dbraw/zinc/23/57/77/681235777.db2.gz FCIGLBFIEPRJHU-HNNXBMFYSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2cnco2)cc1F ZINC001024582793 681235780 /nfs/dbraw/zinc/23/57/80/681235780.db2.gz FCIGLBFIEPRJHU-HNNXBMFYSA-N 1 2 342.374 2.470 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccnc(N(C)C)c1 ZINC001024690470 681350731 /nfs/dbraw/zinc/35/07/31/681350731.db2.gz VZNQTUZKZIGDKX-HNNXBMFYSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnc(N(C)C)c1 ZINC001024690470 681350737 /nfs/dbraw/zinc/35/07/37/681350737.db2.gz VZNQTUZKZIGDKX-HNNXBMFYSA-N 1 2 336.867 2.484 20 30 EEEDLO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001024735136 681397396 /nfs/dbraw/zinc/39/73/96/681397396.db2.gz DDUJSMSNCHYRCZ-GJZGRUSLSA-N 1 2 328.460 2.142 20 30 EEEDLO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001024735136 681397402 /nfs/dbraw/zinc/39/74/02/681397402.db2.gz DDUJSMSNCHYRCZ-GJZGRUSLSA-N 1 2 328.460 2.142 20 30 EEEDLO C=C(Cl)CN1CC[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001028682191 681815175 /nfs/dbraw/zinc/81/51/75/681815175.db2.gz GTUMSHLUPTWPBH-AWEZNQCLSA-N 1 2 345.834 2.072 20 30 EEEDLO Cc1noc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC001025227675 682257692 /nfs/dbraw/zinc/25/76/92/682257692.db2.gz AXYMFRGDBORPLL-SJORKVTESA-N 1 2 342.443 2.137 20 30 EEEDLO Cc1noc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC001025227675 682257695 /nfs/dbraw/zinc/25/76/95/682257695.db2.gz AXYMFRGDBORPLL-SJORKVTESA-N 1 2 342.443 2.137 20 30 EEEDLO COc1cccc(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)n1 ZINC000983492136 682732159 /nfs/dbraw/zinc/73/21/59/682732159.db2.gz IQGBEBSERTYOFN-UHFFFAOYSA-N 1 2 349.434 2.290 20 30 EEEDLO COc1cccc(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)n1 ZINC000983492136 682732164 /nfs/dbraw/zinc/73/21/64/682732164.db2.gz IQGBEBSERTYOFN-UHFFFAOYSA-N 1 2 349.434 2.290 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC000937406506 682916777 /nfs/dbraw/zinc/91/67/77/682916777.db2.gz ASYSKSHWPWBUEI-JKSUJKDBSA-N 1 2 344.459 2.250 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](CCOc2ccccc2)C1 ZINC001031078141 683687700 /nfs/dbraw/zinc/68/77/00/683687700.db2.gz DDPFNCMGGSMPSB-OALUTQOASA-N 1 2 344.455 2.237 20 30 EEEDLO Cc1cnc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)[C@H]2C)cn1 ZINC000993010680 683744286 /nfs/dbraw/zinc/74/42/86/683744286.db2.gz DSAPITAMRQAKEH-YJBOKZPZSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1cnc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)[C@H]2C)cn1 ZINC000993010680 683744289 /nfs/dbraw/zinc/74/42/89/683744289.db2.gz DSAPITAMRQAKEH-YJBOKZPZSA-N 1 2 349.438 2.440 20 30 EEEDLO C[C@@H]1C[C@@H]1CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001026007894 683747415 /nfs/dbraw/zinc/74/74/15/683747415.db2.gz KZKZCZTULKDKPI-GHHXBKDVSA-N 1 2 327.403 2.290 20 30 EEEDLO C[C@@H]1C[C@@H]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001026007894 683747421 /nfs/dbraw/zinc/74/74/21/683747421.db2.gz KZKZCZTULKDKPI-GHHXBKDVSA-N 1 2 327.403 2.290 20 30 EEEDLO CCOC(C)(C)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000186933028 684561104 /nfs/dbraw/zinc/56/11/04/684561104.db2.gz BFPPODWPLSTJDG-UHFFFAOYSA-N 1 2 342.443 2.461 20 30 EEEDLO C#CC1(O)CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000895380353 684563243 /nfs/dbraw/zinc/56/32/43/684563243.db2.gz PMZBPZSNWDESTP-UHFFFAOYSA-N 1 2 339.189 2.317 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029479039 685054035 /nfs/dbraw/zinc/05/40/35/685054035.db2.gz KJPFKIWQMMUZCD-LMCOJAPRSA-N 1 2 338.451 2.138 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029479039 685054042 /nfs/dbraw/zinc/05/40/42/685054042.db2.gz KJPFKIWQMMUZCD-LMCOJAPRSA-N 1 2 338.451 2.138 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3noc(C4CC4)n3)C2)C1 ZINC000984761781 685152186 /nfs/dbraw/zinc/15/21/86/685152186.db2.gz JPOFDFNGJBANDX-MQMHXKEQSA-N 1 2 330.432 2.288 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@]1(F)CCOC1 ZINC000974965686 685786739 /nfs/dbraw/zinc/78/67/39/685786739.db2.gz AHLBHWLTPVEJGJ-VQIMIIECSA-N 1 2 345.418 2.013 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@]1(F)CCOC1 ZINC000974965686 685786742 /nfs/dbraw/zinc/78/67/42/685786742.db2.gz AHLBHWLTPVEJGJ-VQIMIIECSA-N 1 2 345.418 2.013 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC001027311084 687358266 /nfs/dbraw/zinc/35/82/66/687358266.db2.gz HSGUKOXRTUYXIT-INIZCTEOSA-N 1 2 341.390 2.157 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC001027311084 687358270 /nfs/dbraw/zinc/35/82/70/687358270.db2.gz HSGUKOXRTUYXIT-INIZCTEOSA-N 1 2 341.390 2.157 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC001027311084 687358273 /nfs/dbraw/zinc/35/82/73/687358273.db2.gz HSGUKOXRTUYXIT-INIZCTEOSA-N 1 2 341.390 2.157 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC001027311084 687358276 /nfs/dbraw/zinc/35/82/76/687358276.db2.gz HSGUKOXRTUYXIT-INIZCTEOSA-N 1 2 341.390 2.157 20 30 EEEDLO C=CCCC(=O)NCC[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001059660683 687804282 /nfs/dbraw/zinc/80/42/82/687804282.db2.gz FPIKUELFPJJUHW-CVEARBPZSA-N 1 2 332.448 2.155 20 30 EEEDLO C[C@@H]1[C@H]([NH2+]Cc2nc(C3CCCC3)no2)CCN1C(=O)C#CC1CC1 ZINC000986291104 688464579 /nfs/dbraw/zinc/46/45/79/688464579.db2.gz ZZWNMGWZZBEGFJ-CZUORRHYSA-N 1 2 342.443 2.220 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([NH2+]Cc2nc(CC)no2)[C@H]1C ZINC000986353279 688525547 /nfs/dbraw/zinc/52/55/47/688525547.db2.gz WSOXFTSCRSVHNK-ZIAGYGMSSA-N 1 2 343.431 2.012 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC#Cc2ccc(F)cc2)on1 ZINC001027750315 694303629 /nfs/dbraw/zinc/30/36/29/694303629.db2.gz MCRWWSJJOYMRSB-KRWDZBQOSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC#Cc2ccc(F)cc2)on1 ZINC001027750315 694303635 /nfs/dbraw/zinc/30/36/35/694303635.db2.gz MCRWWSJJOYMRSB-KRWDZBQOSA-N 1 2 341.386 2.368 20 30 EEEDLO C=C(C)CCC(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059820405 689936129 /nfs/dbraw/zinc/93/61/29/689936129.db2.gz WCDQVRIWTQZLEQ-HNNXBMFYSA-N 1 2 332.448 2.053 20 30 EEEDLO C=C(C)CCC(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059820405 689936131 /nfs/dbraw/zinc/93/61/31/689936131.db2.gz WCDQVRIWTQZLEQ-HNNXBMFYSA-N 1 2 332.448 2.053 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)C[C@H]2CCCOC2)CC1 ZINC000989682499 692162288 /nfs/dbraw/zinc/16/22/88/692162288.db2.gz NXTWEOINNMECSM-QGZVFWFLSA-N 1 2 341.455 2.409 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[C@H]2CCCOC2)CC1 ZINC000989682499 692162289 /nfs/dbraw/zinc/16/22/89/692162289.db2.gz NXTWEOINNMECSM-QGZVFWFLSA-N 1 2 341.455 2.409 20 30 EEEDLO Cc1cc(C[N@@H+]2CC[C@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@H]23)no1 ZINC000990264050 692790999 /nfs/dbraw/zinc/79/09/99/692790999.db2.gz DWVBINQLORTLDI-FUHWJXTLSA-N 1 2 339.399 2.110 20 30 EEEDLO Cc1cc(C[N@H+]2CC[C@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@H]23)no1 ZINC000990264050 692791003 /nfs/dbraw/zinc/79/10/03/692791003.db2.gz DWVBINQLORTLDI-FUHWJXTLSA-N 1 2 339.399 2.110 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cccc(C(=O)NC)c2)C(C)(C)C1 ZINC000977615775 692829042 /nfs/dbraw/zinc/82/90/42/692829042.db2.gz MNQJLHUYSKZEPW-OAHLLOKOSA-N 1 2 349.862 2.239 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cccc(C(=O)NC)c2)C(C)(C)C1 ZINC000977615775 692829047 /nfs/dbraw/zinc/82/90/47/692829047.db2.gz MNQJLHUYSKZEPW-OAHLLOKOSA-N 1 2 349.862 2.239 20 30 EEEDLO C=CCN1CC2(C[NH+](Cc3c[nH]c4c3cccc4C)C2)OCC1=O ZINC001272724199 1192275853 /nfs/dbraw/zinc/27/58/53/1192275853.db2.gz FASPEFHBHPQMJX-UHFFFAOYSA-N 1 2 325.412 2.076 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000943747537 1192517847 /nfs/dbraw/zinc/51/78/47/1192517847.db2.gz SQWDKNZNVBKAJB-SHTZXODSSA-N 1 2 344.459 2.161 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cnn(CC2CC2)c1 ZINC001032107647 1192560023 /nfs/dbraw/zinc/56/00/23/1192560023.db2.gz PZRBXMHVMDZJLS-UHFFFAOYSA-N 1 2 348.450 2.006 20 30 EEEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(F)c(F)c3)C2)cn1 ZINC001032137330 1192766897 /nfs/dbraw/zinc/76/68/97/1192766897.db2.gz NVLOKBGIRGOSON-UHFFFAOYSA-N 1 2 341.361 2.203 20 30 EEEDLO CCc1onc(C)c1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001032179509 1192838260 /nfs/dbraw/zinc/83/82/60/1192838260.db2.gz XTINMGXJDPCNRM-UHFFFAOYSA-N 1 2 337.423 2.259 20 30 EEEDLO CCc1noc(C)c1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032181904 1192840920 /nfs/dbraw/zinc/84/09/20/1192840920.db2.gz WKQZNFOVPBJQPM-UHFFFAOYSA-N 1 2 338.411 2.279 20 30 EEEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)CCC2CCC2)CC1 ZINC001494092666 1192884348 /nfs/dbraw/zinc/88/43/48/1192884348.db2.gz FWEKRDNDVNBQFF-UHFFFAOYSA-N 1 2 327.900 2.395 20 30 EEEDLO Cc1cc(C[NH2+][C@H](CNC(=O)c2cc(C#N)c[nH]2)c2ccccc2)on1 ZINC001267357903 1178819677 /nfs/dbraw/zinc/81/96/77/1178819677.db2.gz UCPAQBPGEWOXPY-GOSISDBHSA-N 1 2 349.394 2.444 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC001032198697 1193017733 /nfs/dbraw/zinc/01/77/33/1193017733.db2.gz PEPMAMWWGVPRDQ-KRWDZBQOSA-N 1 2 334.847 2.407 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@@H](O)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001125179571 1193188321 /nfs/dbraw/zinc/18/83/21/1193188321.db2.gz DELGGVWCNQCTOU-MRXNPFEDSA-N 1 2 334.464 2.014 20 30 EEEDLO CCCCCCCC(=O)N1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001269074411 1183935964 /nfs/dbraw/zinc/93/59/64/1183935964.db2.gz BHOPHKSEXWUIAV-MSOLQXFVSA-N 1 2 348.491 2.155 20 30 EEEDLO CCC#CC(=O)N1CC2(C[C@@H]2C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001269857707 1184674940 /nfs/dbraw/zinc/67/49/40/1184674940.db2.gz KMSDDDGZENUEHS-QGZVFWFLSA-N 1 2 348.406 2.073 20 30 EEEDLO C[C@H](C(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2)c1ccc(C#N)cc1 ZINC001271786558 1186484474 /nfs/dbraw/zinc/48/44/74/1186484474.db2.gz COQKAJOZRYMEPB-HNNXBMFYSA-N 1 2 334.423 2.334 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCO2)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001088457713 1186940732 /nfs/dbraw/zinc/94/07/32/1186940732.db2.gz TZYDQBRINIELGD-FHLIZLRMSA-N 1 2 346.858 2.450 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCO2)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001088457713 1186940733 /nfs/dbraw/zinc/94/07/33/1186940733.db2.gz TZYDQBRINIELGD-FHLIZLRMSA-N 1 2 346.858 2.450 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)[nH]1 ZINC001088495561 1187044373 /nfs/dbraw/zinc/04/43/73/1187044373.db2.gz ZNEOMYHRBUDTAP-BZNIZROVSA-N 1 2 341.390 2.122 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C)[nH]1 ZINC001088495561 1187044377 /nfs/dbraw/zinc/04/43/77/1187044377.db2.gz ZNEOMYHRBUDTAP-BZNIZROVSA-N 1 2 341.390 2.122 20 30 EEEDLO CCOCC1(C(=O)N(C)CC[N@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC001482609313 1187369397 /nfs/dbraw/zinc/36/93/97/1187369397.db2.gz RYXZHLDBJGKYQP-UHFFFAOYSA-N 1 2 347.434 2.404 20 30 EEEDLO CCOCC1(C(=O)N(C)CC[N@@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC001482609313 1187369400 /nfs/dbraw/zinc/36/94/00/1187369400.db2.gz RYXZHLDBJGKYQP-UHFFFAOYSA-N 1 2 347.434 2.404 20 30 EEEDLO CCC[C@H](OC)C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001482617651 1187426878 /nfs/dbraw/zinc/42/68/78/1187426878.db2.gz NOKBYGIHZDGRSV-KRWDZBQOSA-N 1 2 335.423 2.403 20 30 EEEDLO CCC[C@H](OC)C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001482617651 1187426881 /nfs/dbraw/zinc/42/68/81/1187426881.db2.gz NOKBYGIHZDGRSV-KRWDZBQOSA-N 1 2 335.423 2.403 20 30 EEEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)cncc1F)CC2 ZINC001272780226 1193495470 /nfs/dbraw/zinc/49/54/70/1193495470.db2.gz CCEPHPRSDROJGW-AWEZNQCLSA-N 1 2 348.397 2.382 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(=O)CC)[C@H]1C ZINC001088586070 1187540710 /nfs/dbraw/zinc/54/07/10/1187540710.db2.gz DGWUIBJRMMNAGJ-ILXRZTDVSA-N 1 2 341.883 2.109 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(=O)CC)[C@H]1C ZINC001088586070 1187540712 /nfs/dbraw/zinc/54/07/12/1187540712.db2.gz DGWUIBJRMMNAGJ-ILXRZTDVSA-N 1 2 341.883 2.109 20 30 EEEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncc2ccccn21 ZINC001272809369 1193530687 /nfs/dbraw/zinc/53/06/87/1193530687.db2.gz IXEDDLNQEWSANG-IAGOWNOFSA-N 1 2 337.427 2.203 20 30 EEEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ncc2ccccn21 ZINC001272809369 1193530688 /nfs/dbraw/zinc/53/06/88/1193530688.db2.gz IXEDDLNQEWSANG-IAGOWNOFSA-N 1 2 337.427 2.203 20 30 EEEDLO C=C1CCC(C(=O)N(C)CCN(C)c2[nH+]cnc3c2cnn3C)CC1 ZINC001105546037 1188162232 /nfs/dbraw/zinc/16/22/32/1188162232.db2.gz VWLVQBKYCBLNBB-UHFFFAOYSA-N 1 2 342.447 2.004 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4cn[nH]c43)[C@@H]2C1 ZINC001076116457 1188726801 /nfs/dbraw/zinc/72/68/01/1188726801.db2.gz YKCQTHOCVRASFV-DZGCQCFKSA-N 1 2 330.819 2.462 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc4cn[nH]c43)[C@@H]2C1 ZINC001076116457 1188726805 /nfs/dbraw/zinc/72/68/05/1188726805.db2.gz YKCQTHOCVRASFV-DZGCQCFKSA-N 1 2 330.819 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4c[nH]nc43)[C@@H]2C1 ZINC001076116457 1188726806 /nfs/dbraw/zinc/72/68/06/1188726806.db2.gz YKCQTHOCVRASFV-DZGCQCFKSA-N 1 2 330.819 2.462 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc4c[nH]nc43)[C@@H]2C1 ZINC001076116457 1188726807 /nfs/dbraw/zinc/72/68/07/1188726807.db2.gz YKCQTHOCVRASFV-DZGCQCFKSA-N 1 2 330.819 2.462 20 30 EEEDLO Cc1nc(NC2CC(N(C)C(=O)CCc3[nH]cc[nH+]3)C2)ccc1C#N ZINC001126920022 1188757993 /nfs/dbraw/zinc/75/79/93/1188757993.db2.gz MQPRAGXSYFTMQM-UHFFFAOYSA-N 1 2 338.415 2.019 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3csc4cncn43)[C@@H]2C1 ZINC001076315867 1188842336 /nfs/dbraw/zinc/84/23/36/1188842336.db2.gz UBQQVFBRGVJGJT-NWDGAFQWSA-N 1 2 336.848 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3csc4cncn43)[C@@H]2C1 ZINC001076315867 1188842338 /nfs/dbraw/zinc/84/23/38/1188842338.db2.gz UBQQVFBRGVJGJT-NWDGAFQWSA-N 1 2 336.848 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC(C)C)c3)[C@@H]2C1 ZINC001076404505 1188896559 /nfs/dbraw/zinc/89/65/59/1188896559.db2.gz YXKVZBOTZRWOMX-GOEBONIOSA-N 1 2 336.867 2.438 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC(C)C)c3)[C@@H]2C1 ZINC001076404505 1188896561 /nfs/dbraw/zinc/89/65/61/1188896561.db2.gz YXKVZBOTZRWOMX-GOEBONIOSA-N 1 2 336.867 2.438 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001076666947 1189091902 /nfs/dbraw/zinc/09/19/02/1189091902.db2.gz CPLOOJHXLKRAEZ-NUEKZKHPSA-N 1 2 344.459 2.293 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001076666947 1189091907 /nfs/dbraw/zinc/09/19/07/1189091907.db2.gz CPLOOJHXLKRAEZ-NUEKZKHPSA-N 1 2 344.459 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnn(-c2cccnc2)c1 ZINC001483348000 1190383590 /nfs/dbraw/zinc/38/35/90/1190383590.db2.gz QDSZAEPTBSFCOI-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnn(-c2cccnc2)c1 ZINC001483348000 1190383596 /nfs/dbraw/zinc/38/35/96/1190383596.db2.gz QDSZAEPTBSFCOI-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)noc1C(F)(F)F ZINC001018005217 1224204167 /nfs/dbraw/zinc/20/41/67/1224204167.db2.gz PVVXUGVBGZYMOX-PHIMTYICSA-N 1 2 329.322 2.477 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)noc1C(F)(F)F ZINC001018005217 1224204175 /nfs/dbraw/zinc/20/41/75/1224204175.db2.gz PVVXUGVBGZYMOX-PHIMTYICSA-N 1 2 329.322 2.477 20 30 EEEDLO C=CCN1CC2(C[NH+](CCCc3cccc(Cl)c3)C2)OCC1=O ZINC001273044087 1194348335 /nfs/dbraw/zinc/34/83/35/1194348335.db2.gz BADWXJIQMOEZQU-UHFFFAOYSA-N 1 2 334.847 2.372 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2CCN(CC(F)F)CC2)C1 ZINC001033363329 1194476985 /nfs/dbraw/zinc/47/69/85/1194476985.db2.gz SGWJMHORCDHDIC-CQSZACIVSA-N 1 2 349.853 2.249 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CCN(CC(F)F)CC2)C1 ZINC001033363329 1194476988 /nfs/dbraw/zinc/47/69/88/1194476988.db2.gz SGWJMHORCDHDIC-CQSZACIVSA-N 1 2 349.853 2.249 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001033540964 1194710936 /nfs/dbraw/zinc/71/09/36/1194710936.db2.gz TYASXWVNKNZYBU-CYBMUJFWSA-N 1 2 347.850 2.176 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001033540964 1194710938 /nfs/dbraw/zinc/71/09/38/1194710938.db2.gz TYASXWVNKNZYBU-CYBMUJFWSA-N 1 2 347.850 2.176 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ncc(C)s3)C2)nc1 ZINC001033596667 1194927756 /nfs/dbraw/zinc/92/77/56/1194927756.db2.gz LNBROXOPJBNFPE-OAHLLOKOSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ncc(C)s3)C2)nc1 ZINC001033596667 1194927762 /nfs/dbraw/zinc/92/77/62/1194927762.db2.gz LNBROXOPJBNFPE-OAHLLOKOSA-N 1 2 340.452 2.174 20 30 EEEDLO CCN(C(=O)[C@H]1CCOC1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033765511 1195229926 /nfs/dbraw/zinc/22/99/26/1195229926.db2.gz DCTOBFPUGZIOQA-YJBOKZPZSA-N 1 2 345.418 2.157 20 30 EEEDLO CCN(C(=O)[C@H]1CCOC1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033765511 1195229932 /nfs/dbraw/zinc/22/99/32/1195229932.db2.gz DCTOBFPUGZIOQA-YJBOKZPZSA-N 1 2 345.418 2.157 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cnn(C)c2Cl)C1 ZINC001033875616 1195412558 /nfs/dbraw/zinc/41/25/58/1195412558.db2.gz HZNVNODCBPJIEY-LLVKDONJSA-N 1 2 331.247 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnn(C)c2Cl)C1 ZINC001033875616 1195412564 /nfs/dbraw/zinc/41/25/64/1195412564.db2.gz HZNVNODCBPJIEY-LLVKDONJSA-N 1 2 331.247 2.362 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3nccn3C2)C1 ZINC001033881500 1195438247 /nfs/dbraw/zinc/43/82/47/1195438247.db2.gz RXFOGBBZYLXION-LSDHHAIUSA-N 1 2 336.867 2.121 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3nccn3C2)C1 ZINC001033881500 1195438249 /nfs/dbraw/zinc/43/82/49/1195438249.db2.gz RXFOGBBZYLXION-LSDHHAIUSA-N 1 2 336.867 2.121 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cccc3cccnc32)C1 ZINC001108108408 1195486298 /nfs/dbraw/zinc/48/62/98/1195486298.db2.gz WSPUMOUXTZKFHG-HXUWFJFHSA-N 1 2 339.439 2.170 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cccc3cccnc32)C1 ZINC001108108408 1195486300 /nfs/dbraw/zinc/48/63/00/1195486300.db2.gz WSPUMOUXTZKFHG-HXUWFJFHSA-N 1 2 339.439 2.170 20 30 EEEDLO C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC001034005784 1195649015 /nfs/dbraw/zinc/64/90/15/1195649015.db2.gz WHYZISLLGLNIQM-MRXNPFEDSA-N 1 2 325.416 2.194 20 30 EEEDLO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC001034005784 1195649017 /nfs/dbraw/zinc/64/90/17/1195649017.db2.gz WHYZISLLGLNIQM-MRXNPFEDSA-N 1 2 325.416 2.194 20 30 EEEDLO C#Cc1ccc(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3nocc3C)C2)nc1 ZINC001034022845 1195676641 /nfs/dbraw/zinc/67/66/41/1195676641.db2.gz KWATVFNDTZQDDZ-MRXNPFEDSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3nocc3C)C2)nc1 ZINC001034022845 1195676644 /nfs/dbraw/zinc/67/66/44/1195676644.db2.gz KWATVFNDTZQDDZ-MRXNPFEDSA-N 1 2 338.411 2.096 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001078962061 1196011605 /nfs/dbraw/zinc/01/16/05/1196011605.db2.gz KBTJGDCHIKNVTP-MRXNPFEDSA-N 1 2 346.475 2.325 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnn(C)c2Cl)C1 ZINC001034269205 1196021649 /nfs/dbraw/zinc/02/16/49/1196021649.db2.gz BOBSXFUTXWRRRD-NSHDSACASA-N 1 2 331.247 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnn(C)c2Cl)C1 ZINC001034269205 1196021651 /nfs/dbraw/zinc/02/16/51/1196021651.db2.gz BOBSXFUTXWRRRD-NSHDSACASA-N 1 2 331.247 2.410 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnn3ccc(C)nc23)C1 ZINC001034492603 1196283164 /nfs/dbraw/zinc/28/31/64/1196283164.db2.gz GMEFYRBVBOPXFN-CQSZACIVSA-N 1 2 347.850 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnn3ccc(C)nc23)C1 ZINC001034492603 1196283168 /nfs/dbraw/zinc/28/31/68/1196283168.db2.gz GMEFYRBVBOPXFN-CQSZACIVSA-N 1 2 347.850 2.375 20 30 EEEDLO Cc1nonc1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccccc2C#N)C1 ZINC001034554699 1196386983 /nfs/dbraw/zinc/38/69/83/1196386983.db2.gz SXHABEYGRHKMIF-MRXNPFEDSA-N 1 2 339.399 2.034 20 30 EEEDLO Cc1nonc1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001034554699 1196386986 /nfs/dbraw/zinc/38/69/86/1196386986.db2.gz SXHABEYGRHKMIF-MRXNPFEDSA-N 1 2 339.399 2.034 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001090231771 1196495501 /nfs/dbraw/zinc/49/55/01/1196495501.db2.gz UZPZMUCWDBBUOD-LZWOXQAQSA-N 1 2 342.443 2.102 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cnccc1Cl)C2 ZINC001273171123 1197298607 /nfs/dbraw/zinc/29/86/07/1197298607.db2.gz CTMLKAHGMJVIDR-GOSISDBHSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cnccc1Cl)C2 ZINC001273171123 1197298610 /nfs/dbraw/zinc/29/86/10/1197298610.db2.gz CTMLKAHGMJVIDR-GOSISDBHSA-N 1 2 349.862 2.362 20 30 EEEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)ccc(F)c1F)CC2 ZINC001273287529 1197960209 /nfs/dbraw/zinc/96/02/09/1197960209.db2.gz YLVYGENUDAATKC-ZDUSSCGKSA-N 1 2 336.357 2.455 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cccc3c2OC(F)(F)O3)C1=O ZINC001273299938 1197992309 /nfs/dbraw/zinc/99/23/09/1197992309.db2.gz OXVAJWOKJSRXGO-QGZVFWFLSA-N 1 2 348.349 2.208 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cccc3c2OC(F)(F)O3)C1=O ZINC001273299938 1197992316 /nfs/dbraw/zinc/99/23/16/1197992316.db2.gz OXVAJWOKJSRXGO-QGZVFWFLSA-N 1 2 348.349 2.208 20 30 EEEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Cl)nn1)CC2 ZINC001273346482 1198261552 /nfs/dbraw/zinc/26/15/52/1198261552.db2.gz JEAQCNABMCJDOY-CQSZACIVSA-N 1 2 347.850 2.152 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001014878424 1224482178 /nfs/dbraw/zinc/48/21/78/1224482178.db2.gz QRVXTSJXTANTBR-KRWDZBQOSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC001014878424 1224482185 /nfs/dbraw/zinc/48/21/85/1224482185.db2.gz QRVXTSJXTANTBR-KRWDZBQOSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC3(F)F)C2)c1 ZINC001014893260 1224504287 /nfs/dbraw/zinc/50/42/87/1224504287.db2.gz WLAQNEAIRPRWNG-KGLIPLIRSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC3(F)F)C2)c1 ZINC001014893260 1224504293 /nfs/dbraw/zinc/50/42/93/1224504293.db2.gz WLAQNEAIRPRWNG-KGLIPLIRSA-N 1 2 337.345 2.433 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2occc2C(C)C)[C@@H](O)C1 ZINC001090513859 1199181914 /nfs/dbraw/zinc/18/19/14/1199181914.db2.gz CYOUINVCCPZMJQ-KBPBESRZSA-N 1 2 326.824 2.321 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2occc2C(C)C)[C@@H](O)C1 ZINC001090513859 1199181916 /nfs/dbraw/zinc/18/19/16/1199181916.db2.gz CYOUINVCCPZMJQ-KBPBESRZSA-N 1 2 326.824 2.321 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(OC)ns2)C1 ZINC001132002053 1199187959 /nfs/dbraw/zinc/18/79/59/1199187959.db2.gz GMKDFAUYRNZUEG-KBPBESRZSA-N 1 2 335.473 2.424 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(OC)ns2)C1 ZINC001132002053 1199187962 /nfs/dbraw/zinc/18/79/62/1199187962.db2.gz GMKDFAUYRNZUEG-KBPBESRZSA-N 1 2 335.473 2.424 20 30 EEEDLO CCn1nnc(C)c1C[N@@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132034854 1199219852 /nfs/dbraw/zinc/21/98/52/1199219852.db2.gz VTOVSHXMVYSOIW-GDBMZVCRSA-N 1 2 345.491 2.125 20 30 EEEDLO CCn1nnc(C)c1C[N@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132034854 1199219856 /nfs/dbraw/zinc/21/98/56/1199219856.db2.gz VTOVSHXMVYSOIW-GDBMZVCRSA-N 1 2 345.491 2.125 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2csc(CC)n2)C1 ZINC001132029455 1199233801 /nfs/dbraw/zinc/23/38/01/1199233801.db2.gz MFYHGVTWQADXBD-HUUCEWRRSA-N 1 2 349.500 2.215 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2csc(CC)n2)C1 ZINC001132029455 1199233803 /nfs/dbraw/zinc/23/38/03/1199233803.db2.gz MFYHGVTWQADXBD-HUUCEWRRSA-N 1 2 349.500 2.215 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC2CCC2)C1 ZINC001132326721 1199593657 /nfs/dbraw/zinc/59/36/57/1199593657.db2.gz HKGKSYFAQXAZKB-WBVHZDCISA-N 1 2 349.519 2.474 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCC2CCC2)C1 ZINC001132326721 1199593661 /nfs/dbraw/zinc/59/36/61/1199593661.db2.gz HKGKSYFAQXAZKB-WBVHZDCISA-N 1 2 349.519 2.474 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCOCCCOC)CC[C@H]1C ZINC001132420636 1199671931 /nfs/dbraw/zinc/67/19/31/1199671931.db2.gz WAPCPQDHYGBBJR-HUUCEWRRSA-N 1 2 332.872 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCOCCCOC)CC[C@H]1C ZINC001132420636 1199671933 /nfs/dbraw/zinc/67/19/33/1199671933.db2.gz WAPCPQDHYGBBJR-HUUCEWRRSA-N 1 2 332.872 2.151 20 30 EEEDLO C=CCOCC[N@H+]1C[C@H](NC(=O)c2n[nH]c3ccccc32)CC[C@@H]1C ZINC001132457771 1199720396 /nfs/dbraw/zinc/72/03/96/1199720396.db2.gz MXXNFENCZTUCKQ-LSDHHAIUSA-N 1 2 342.443 2.348 20 30 EEEDLO C=CCOCC[N@@H+]1C[C@H](NC(=O)c2n[nH]c3ccccc32)CC[C@@H]1C ZINC001132457771 1199720400 /nfs/dbraw/zinc/72/04/00/1199720400.db2.gz MXXNFENCZTUCKQ-LSDHHAIUSA-N 1 2 342.443 2.348 20 30 EEEDLO COc1cccc(OC)c1C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000877645956 1200004234 /nfs/dbraw/zinc/00/42/34/1200004234.db2.gz YVDBCKCCBZSGNT-UHFFFAOYSA-N 1 2 338.411 2.293 20 30 EEEDLO COCCCn1nccc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000877745222 1200068844 /nfs/dbraw/zinc/06/88/44/1200068844.db2.gz LBDBYPONAXLUIT-UHFFFAOYSA-N 1 2 339.443 2.113 20 30 EEEDLO CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCN(CCC#N)CC1 ZINC000878312376 1200390971 /nfs/dbraw/zinc/39/09/71/1200390971.db2.gz LKNRQDQTNPJOBI-GOSISDBHSA-N 1 2 328.460 2.268 20 30 EEEDLO C#C[C@H](C)N(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000812058638 1200498679 /nfs/dbraw/zinc/49/86/79/1200498679.db2.gz GTWPRJWLEMOUHO-HNNXBMFYSA-N 1 2 328.460 2.385 20 30 EEEDLO COc1cccc([C@H]2CN(C(=O)c3ccc(C#N)c(O)c3)CC[NH2+]2)c1 ZINC000870153965 1200516369 /nfs/dbraw/zinc/51/63/69/1200516369.db2.gz ZQHBAIBJSUUKKD-QGZVFWFLSA-N 1 2 337.379 2.059 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114454992 1200561067 /nfs/dbraw/zinc/56/10/67/1200561067.db2.gz RHQRZZNGXQPCSV-DNVCBOLYSA-N 1 2 346.475 2.060 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114457428 1200610293 /nfs/dbraw/zinc/61/02/93/1200610293.db2.gz QDWFTOKDJARBAK-INIZCTEOSA-N 1 2 346.475 2.326 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C(=C)C)C2)CC1 ZINC001018366242 1224649895 /nfs/dbraw/zinc/64/98/95/1224649895.db2.gz BUWZLIKTDJOPGC-QGZVFWFLSA-N 1 2 347.503 2.158 20 30 EEEDLO N#Cc1cc(F)ccc1N1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000879590345 1201162023 /nfs/dbraw/zinc/16/20/23/1201162023.db2.gz ZIXGBJGDUHIUCB-ZDUSSCGKSA-N 1 2 331.313 2.133 20 30 EEEDLO C#C[C@H](NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C(C)(C)C ZINC000868615202 1201845785 /nfs/dbraw/zinc/84/57/85/1201845785.db2.gz HMTIBNPRNDPTNS-HNNXBMFYSA-N 1 2 346.500 2.482 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@H+](COCc3ccccc3)C2)OCC1=O ZINC001273981945 1202193904 /nfs/dbraw/zinc/19/39/04/1202193904.db2.gz MIQHQOQFEAFNSZ-LJQANCHMSA-N 1 2 330.428 2.040 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@@H+](COCc3ccccc3)C2)OCC1=O ZINC001273981945 1202193905 /nfs/dbraw/zinc/19/39/05/1202193905.db2.gz MIQHQOQFEAFNSZ-LJQANCHMSA-N 1 2 330.428 2.040 20 30 EEEDLO N#CCc1ccccc1C[NH+]1CC2(C1)COCC(=O)N2C1CCCC1 ZINC001274350003 1205004162 /nfs/dbraw/zinc/00/41/62/1205004162.db2.gz LPFDNSSNFQVWPH-UHFFFAOYSA-N 1 2 339.439 2.108 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1nc(CC)cs1)C2 ZINC001274578977 1205085898 /nfs/dbraw/zinc/08/58/98/1205085898.db2.gz BEKXMPXMCXSHCW-GOSISDBHSA-N 1 2 349.500 2.333 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1nc(CC)cs1)C2 ZINC001274578977 1205085901 /nfs/dbraw/zinc/08/59/01/1205085901.db2.gz BEKXMPXMCXSHCW-GOSISDBHSA-N 1 2 349.500 2.333 20 30 EEEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2c1nc(NC(C)C)c(OC)c[nH+]1 ZINC001274723850 1205142936 /nfs/dbraw/zinc/14/29/36/1205142936.db2.gz UZXDBFPHBRZZGQ-ZIAGYGMSSA-N 1 2 345.447 2.061 20 30 EEEDLO CCOCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C)cc2C#N)C1=O ZINC001274808133 1205174093 /nfs/dbraw/zinc/17/40/93/1205174093.db2.gz QZEZYNMQNLFLEB-FQEVSTJZSA-N 1 2 341.455 2.470 20 30 EEEDLO CCOCCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C)cc2C#N)C1=O ZINC001274808133 1205174094 /nfs/dbraw/zinc/17/40/94/1205174094.db2.gz QZEZYNMQNLFLEB-FQEVSTJZSA-N 1 2 341.455 2.470 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccsc1Cl)C2 ZINC001274859859 1205190233 /nfs/dbraw/zinc/19/02/33/1205190233.db2.gz ZACXKTJTLSJUOQ-MRXNPFEDSA-N 1 2 338.860 2.086 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccsc1Cl)C2 ZINC001274859859 1205190236 /nfs/dbraw/zinc/19/02/36/1205190236.db2.gz ZACXKTJTLSJUOQ-MRXNPFEDSA-N 1 2 338.860 2.086 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCCCc1c[nH]nn1 ZINC001275129047 1205263481 /nfs/dbraw/zinc/26/34/81/1205263481.db2.gz OHWHNMDFGXSLFW-HNNXBMFYSA-N 1 2 339.871 2.193 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCCCc1c[nH]nn1 ZINC001275129047 1205263482 /nfs/dbraw/zinc/26/34/82/1205263482.db2.gz OHWHNMDFGXSLFW-HNNXBMFYSA-N 1 2 339.871 2.193 20 30 EEEDLO CC(C)NC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(F)cc1C#N ZINC001275424714 1205354417 /nfs/dbraw/zinc/35/44/17/1205354417.db2.gz DHAMRSYCLBPRPB-IRXDYDNUSA-N 1 2 330.407 2.464 20 30 EEEDLO CC(C)NC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(F)cc1C#N ZINC001275424714 1205354419 /nfs/dbraw/zinc/35/44/19/1205354419.db2.gz DHAMRSYCLBPRPB-IRXDYDNUSA-N 1 2 330.407 2.464 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cc(O)ccc4F)C3)C2)cc1C#N ZINC001275906031 1205581613 /nfs/dbraw/zinc/58/16/13/1205581613.db2.gz RUFDAGRVLPYPKI-UHFFFAOYSA-N 1 2 340.402 2.059 20 30 EEEDLO CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1F ZINC001275955933 1205601988 /nfs/dbraw/zinc/60/19/88/1205601988.db2.gz ATWNNAWTWCILMR-IYBDPMFKSA-N 1 2 330.407 2.464 20 30 EEEDLO CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1F ZINC001275955933 1205601989 /nfs/dbraw/zinc/60/19/89/1205601989.db2.gz ATWNNAWTWCILMR-IYBDPMFKSA-N 1 2 330.407 2.464 20 30 EEEDLO C#CCOCCC(=O)NC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095431137 1205738446 /nfs/dbraw/zinc/73/84/46/1205738446.db2.gz ZLJMMPJKXBTZJI-UHFFFAOYSA-N 1 2 344.459 2.033 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3[nH]cnc3c1)C2 ZINC001095478887 1205799027 /nfs/dbraw/zinc/79/90/27/1205799027.db2.gz CNYWDMFFMDWTGX-DYEKYZERSA-N 1 2 331.807 2.046 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3[nH]cnc3c1)C2 ZINC001095478887 1205799029 /nfs/dbraw/zinc/79/90/29/1205799029.db2.gz CNYWDMFFMDWTGX-DYEKYZERSA-N 1 2 331.807 2.046 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cnn3ccccc13)C2 ZINC001095553488 1205871167 /nfs/dbraw/zinc/87/11/67/1205871167.db2.gz 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CCc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)no1 ZINC001016022407 1225966768 /nfs/dbraw/zinc/96/67/68/1225966768.db2.gz CVBGHFVUMOZKQP-CQSZACIVSA-N 1 2 342.374 2.252 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)C1CCCC1 ZINC001037998983 1220982305 /nfs/dbraw/zinc/98/23/05/1220982305.db2.gz BRJREDIVBWTRJJ-QGZVFWFLSA-N 1 2 327.428 2.448 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)C1CCCC1 ZINC001037998983 1220982306 /nfs/dbraw/zinc/98/23/06/1220982306.db2.gz BRJREDIVBWTRJJ-QGZVFWFLSA-N 1 2 327.428 2.448 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1cc(Cl)no1 ZINC001016067084 1226024681 /nfs/dbraw/zinc/02/46/81/1226024681.db2.gz PRAIYSZGYYCVQJ-CQSZACIVSA-N 1 2 347.777 2.323 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)c1cc(Cl)no1 ZINC001016067084 1226024685 /nfs/dbraw/zinc/02/46/85/1226024685.db2.gz PRAIYSZGYYCVQJ-CQSZACIVSA-N 1 2 347.777 2.323 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccnc(OC)c2)C1 ZINC000968330563 1221213924 /nfs/dbraw/zinc/21/39/24/1221213924.db2.gz BGPILIKMPIDQBH-DOMZBBRYSA-N 1 2 337.851 2.212 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccnc(OC)c2)C1 ZINC000968330563 1221213929 /nfs/dbraw/zinc/21/39/29/1221213929.db2.gz BGPILIKMPIDQBH-DOMZBBRYSA-N 1 2 337.851 2.212 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)co1 ZINC000968803353 1221582746 /nfs/dbraw/zinc/58/27/46/1221582746.db2.gz IRAUUVWZZYEILL-INIZCTEOSA-N 1 2 341.415 2.357 20 30 EEEDLO Cc1nc(C[N@H+]2CCCCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)co1 ZINC000968803353 1221582747 /nfs/dbraw/zinc/58/27/47/1221582747.db2.gz IRAUUVWZZYEILL-INIZCTEOSA-N 1 2 341.415 2.357 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccon3)C2)cc1F ZINC001006841545 1221972041 /nfs/dbraw/zinc/97/20/41/1221972041.db2.gz VTAJAXOYWUUEAD-AWEZNQCLSA-N 1 2 328.347 2.080 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccon3)C2)cc1F ZINC001006841545 1221972044 /nfs/dbraw/zinc/97/20/44/1221972044.db2.gz VTAJAXOYWUUEAD-AWEZNQCLSA-N 1 2 328.347 2.080 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCCOC3)C2)c1 ZINC001006909437 1222007500 /nfs/dbraw/zinc/00/75/00/1222007500.db2.gz UWKOMBZHJLYTRX-DOTOQJQBSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CCCOC3)C2)c1 ZINC001006909437 1222007507 /nfs/dbraw/zinc/00/75/07/1222007507.db2.gz UWKOMBZHJLYTRX-DOTOQJQBSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCOCC2)C1 ZINC001007242550 1222143795 /nfs/dbraw/zinc/14/37/95/1222143795.db2.gz LGVZAYDPDJFDEI-VQIMIIECSA-N 1 2 341.455 2.456 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCOCC2)C1 ZINC001007242550 1222143797 /nfs/dbraw/zinc/14/37/97/1222143797.db2.gz LGVZAYDPDJFDEI-VQIMIIECSA-N 1 2 341.455 2.456 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2cccs2)C1 ZINC001149058740 1222159861 /nfs/dbraw/zinc/15/98/61/1222159861.db2.gz OXMYVTFLCVYVAR-ZDUSSCGKSA-N 1 2 328.865 2.250 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2cccs2)C1 ZINC001149058740 1222159865 /nfs/dbraw/zinc/15/98/65/1222159865.db2.gz OXMYVTFLCVYVAR-ZDUSSCGKSA-N 1 2 328.865 2.250 20 30 EEEDLO COc1cccnc1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001009320457 1223210598 /nfs/dbraw/zinc/21/05/98/1223210598.db2.gz UUZVRUUDXICFHL-SFHVURJKSA-N 1 2 349.434 2.336 20 30 EEEDLO COc1cccnc1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001009320457 1223210601 /nfs/dbraw/zinc/21/06/01/1223210601.db2.gz UUZVRUUDXICFHL-SFHVURJKSA-N 1 2 349.434 2.336 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)c2occc2C)C1 ZINC001010193512 1223597252 /nfs/dbraw/zinc/59/72/52/1223597252.db2.gz HZUWRSUWCFHQLX-MRXNPFEDSA-N 1 2 339.395 2.473 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)c2occc2C)C1 ZINC001010193512 1223597254 /nfs/dbraw/zinc/59/72/54/1223597254.db2.gz HZUWRSUWCFHQLX-MRXNPFEDSA-N 1 2 339.395 2.473 20 30 EEEDLO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001010229211 1223616628 /nfs/dbraw/zinc/61/66/28/1223616628.db2.gz SPAAIKJMSZMGDR-CYBMUJFWSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001010229211 1223616630 /nfs/dbraw/zinc/61/66/30/1223616630.db2.gz SPAAIKJMSZMGDR-CYBMUJFWSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)c1C ZINC001010397624 1223699302 /nfs/dbraw/zinc/69/93/02/1223699302.db2.gz OVGUZLRTSVEIKD-HNNXBMFYSA-N 1 2 341.390 2.042 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)c1C ZINC001010397624 1223699306 /nfs/dbraw/zinc/69/93/06/1223699306.db2.gz OVGUZLRTSVEIKD-HNNXBMFYSA-N 1 2 341.390 2.042 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3nc4ccccc4o3)C2)c1 ZINC001010457442 1223729104 /nfs/dbraw/zinc/72/91/04/1223729104.db2.gz LPBNPDIGALIAKR-CYBMUJFWSA-N 1 2 335.367 2.032 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3nc4ccccc4o3)C2)c1 ZINC001010457442 1223729106 /nfs/dbraw/zinc/72/91/06/1223729106.db2.gz LPBNPDIGALIAKR-CYBMUJFWSA-N 1 2 335.367 2.032 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)ns1 ZINC001010771868 1223899957 /nfs/dbraw/zinc/89/99/57/1223899957.db2.gz DPURVYPCKHVELM-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)ns1 ZINC001010771868 1223899959 /nfs/dbraw/zinc/89/99/59/1223899959.db2.gz DPURVYPCKHVELM-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1cnccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001014381915 1226549903 /nfs/dbraw/zinc/54/99/03/1226549903.db2.gz QXVORNSPNNDKOG-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cnccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001014381915 1226549909 /nfs/dbraw/zinc/54/99/09/1226549909.db2.gz QXVORNSPNNDKOG-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(NC(=O)Cc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001014516214 1226707953 /nfs/dbraw/zinc/70/79/53/1226707953.db2.gz VONHOZUQQRDQPX-HNAYVOBHSA-N 1 2 344.459 2.194 20 30 EEEDLO Cn1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1C1CC1 ZINC001014641743 1226871143 /nfs/dbraw/zinc/87/11/43/1226871143.db2.gz YVWHSLKWQJNWDJ-KRWDZBQOSA-N 1 2 349.438 2.173 20 30 EEEDLO Cn1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1C1CC1 ZINC001014641743 1226871149 /nfs/dbraw/zinc/87/11/49/1226871149.db2.gz YVWHSLKWQJNWDJ-KRWDZBQOSA-N 1 2 349.438 2.173 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC23CC[NH+](Cc2nnc(C)[nH]2)CC3)CC1 ZINC001016808072 1226893947 /nfs/dbraw/zinc/89/39/47/1226893947.db2.gz QGGHDACYAFDQTB-INIZCTEOSA-N 1 2 343.475 2.330 20 30 EEEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC001017840307 1227784874 /nfs/dbraw/zinc/78/48/74/1227784874.db2.gz CFKMKOJBPCSKAX-QMCVQRASSA-N 1 2 328.460 2.327 20 30 EEEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC001017840307 1227784877 /nfs/dbraw/zinc/78/48/77/1227784877.db2.gz CFKMKOJBPCSKAX-QMCVQRASSA-N 1 2 328.460 2.327 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnc2ccc(C)cc21 ZINC001017845747 1227791499 /nfs/dbraw/zinc/79/14/99/1227791499.db2.gz DNWPERZVVTYSDQ-CALCHBBNSA-N 1 2 336.439 2.043 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnc2ccc(C)cc21 ZINC001017845747 1227791501 /nfs/dbraw/zinc/79/15/01/1227791501.db2.gz DNWPERZVVTYSDQ-CALCHBBNSA-N 1 2 336.439 2.043 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nc(C4CC4)no3)C2)CC1 ZINC001019331346 1228997112 /nfs/dbraw/zinc/99/71/12/1228997112.db2.gz URNOHKZPDDKQAF-HNNXBMFYSA-N 1 2 330.432 2.384 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH2+]Cc3nc(C4CCC4)no3)C2)C1 ZINC001019352112 1229020568 /nfs/dbraw/zinc/02/05/68/1229020568.db2.gz CEUYPDKYPVUOQZ-AWEZNQCLSA-N 1 2 330.432 2.384 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001019407509 1229077261 /nfs/dbraw/zinc/07/72/61/1229077261.db2.gz FVPWAULENWGMJR-ZNMIVQPWSA-N 1 2 347.459 2.254 20 30 EEEDLO Cc1n[nH]c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)c1C ZINC001020037291 1229452033 /nfs/dbraw/zinc/45/20/33/1229452033.db2.gz OLUFGBQXFKYTRH-SHTZXODSSA-N 1 2 341.390 2.088 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ncc(F)cc2F)c1 ZINC001038412046 1229797044 /nfs/dbraw/zinc/79/70/44/1229797044.db2.gz RNHVCQUBOSCCQH-OAHLLOKOSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ncc(F)cc2F)c1 ZINC001038412046 1229797046 /nfs/dbraw/zinc/79/70/46/1229797046.db2.gz RNHVCQUBOSCCQH-OAHLLOKOSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(C(F)F)n[nH]2)c1 ZINC001038684506 1229975028 /nfs/dbraw/zinc/97/50/28/1229975028.db2.gz NMFBDWYNCQXFRW-ZDUSSCGKSA-N 1 2 345.353 2.223 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(C(F)F)n[nH]2)c1 ZINC001038684506 1229975029 /nfs/dbraw/zinc/97/50/29/1229975029.db2.gz NMFBDWYNCQXFRW-ZDUSSCGKSA-N 1 2 345.353 2.223 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cc(F)ccc1OC ZINC001038719803 1229996855 /nfs/dbraw/zinc/99/68/55/1229996855.db2.gz NVNYIEUVQNYNET-BBWFWOEESA-N 1 2 348.418 2.116 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(F)ccc1OC ZINC001038719803 1229996857 /nfs/dbraw/zinc/99/68/57/1229996857.db2.gz NVNYIEUVQNYNET-BBWFWOEESA-N 1 2 348.418 2.116 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001038762687 1230032113 /nfs/dbraw/zinc/03/21/13/1230032113.db2.gz LYMRDXFDYRFNTH-SJORKVTESA-N 1 2 339.439 2.448 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001038762687 1230032117 /nfs/dbraw/zinc/03/21/17/1230032117.db2.gz LYMRDXFDYRFNTH-SJORKVTESA-N 1 2 339.439 2.448 20 30 EEEDLO Cc1nsc(NC2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c1C#N ZINC001067269413 1230038524 /nfs/dbraw/zinc/03/85/24/1230038524.db2.gz CZIIMHKGCCRPQF-UHFFFAOYSA-N 1 2 344.444 2.082 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc3nccn3c2)c1 ZINC001038908882 1230155164 /nfs/dbraw/zinc/15/51/64/1230155164.db2.gz NWUVQSODGQSNFE-SFHVURJKSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc3nccn3c2)c1 ZINC001038908882 1230155166 /nfs/dbraw/zinc/15/51/66/1230155166.db2.gz NWUVQSODGQSNFE-SFHVURJKSA-N 1 2 345.406 2.210 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1COc2ccccc21 ZINC001039085768 1230292050 /nfs/dbraw/zinc/29/20/50/1230292050.db2.gz SLWYEPFAEICKCL-ICSRJNTNSA-N 1 2 346.430 2.405 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1COc2ccccc21 ZINC001039085768 1230292053 /nfs/dbraw/zinc/29/20/53/1230292053.db2.gz SLWYEPFAEICKCL-ICSRJNTNSA-N 1 2 346.430 2.405 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2n[nH]nc2c1 ZINC001039469313 1230634350 /nfs/dbraw/zinc/63/43/50/1230634350.db2.gz HFNWOHGDXCJNOK-KGLIPLIRSA-N 1 2 345.834 2.389 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2n[nH]nc2c1 ZINC001039469313 1230634352 /nfs/dbraw/zinc/63/43/52/1230634352.db2.gz HFNWOHGDXCJNOK-KGLIPLIRSA-N 1 2 345.834 2.389 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1c1cccc(F)c1C#N ZINC001039819617 1230833061 /nfs/dbraw/zinc/83/30/61/1230833061.db2.gz WDBQIEQEXDMPNJ-STQMWFEESA-N 1 2 341.390 2.137 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@@H+]([C@H](C)c1nncn1C)C2 ZINC001040322715 1231169591 /nfs/dbraw/zinc/16/95/91/1231169591.db2.gz LNYMTWPCQQNTIW-DNVCBOLYSA-N 1 2 345.491 2.403 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@H+]([C@H](C)c1nncn1C)C2 ZINC001040322715 1231169592 /nfs/dbraw/zinc/16/95/92/1231169592.db2.gz LNYMTWPCQQNTIW-DNVCBOLYSA-N 1 2 345.491 2.403 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1nc(C)no1)C2 ZINC001040329069 1231172538 /nfs/dbraw/zinc/17/25/38/1231172538.db2.gz QZRUGPLVTRDQAS-SFHVURJKSA-N 1 2 332.448 2.405 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1nc(C)no1)C2 ZINC001040329069 1231172541 /nfs/dbraw/zinc/17/25/41/1231172541.db2.gz QZRUGPLVTRDQAS-SFHVURJKSA-N 1 2 332.448 2.405 20 30 EEEDLO C[C@H](c1csnn1)[NH+]1CCC2(CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001040696872 1231339465 /nfs/dbraw/zinc/33/94/65/1231339465.db2.gz JVQDMLNUXWPZRX-CQSZACIVSA-N 1 2 344.484 2.327 20 30 EEEDLO Cc1cc(NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCCO2)nc(C(C)C)[nH+]1 ZINC001041481369 1231562278 /nfs/dbraw/zinc/56/22/78/1231562278.db2.gz GVXAVNFTRJPZFH-UKRRQHHQSA-N 1 2 345.447 2.098 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001067514207 1249153090 /nfs/dbraw/zinc/15/30/90/1249153090.db2.gz HVQKCBQJCNXVJA-JKSUJKDBSA-N 1 2 348.491 2.498 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001067514207 1249153096 /nfs/dbraw/zinc/15/30/96/1249153096.db2.gz HVQKCBQJCNXVJA-JKSUJKDBSA-N 1 2 348.491 2.498 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](Cc4nccs4)[C@H]3C2)[nH]1 ZINC001042015105 1231832319 /nfs/dbraw/zinc/83/23/19/1231832319.db2.gz CJNVPTXYMSLGER-DOMZBBRYSA-N 1 2 341.440 2.079 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nccs4)[C@H]3C2)[nH]1 ZINC001042015105 1231832321 /nfs/dbraw/zinc/83/23/21/1231832321.db2.gz CJNVPTXYMSLGER-DOMZBBRYSA-N 1 2 341.440 2.079 20 30 EEEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001042630327 1232125380 /nfs/dbraw/zinc/12/53/80/1232125380.db2.gz FJRDNOQNXGZNHE-GOSISDBHSA-N 1 2 338.386 2.469 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](Cc3cccc(OC)c3C)C2)c1 ZINC001043820893 1232591872 /nfs/dbraw/zinc/59/18/72/1232591872.db2.gz XNPJKVSTYKBXKO-UHFFFAOYSA-N 1 2 349.434 2.336 20 30 EEEDLO CN(C(=O)[C@@H]1CC12CCC2)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001043979279 1232647868 /nfs/dbraw/zinc/64/78/68/1232647868.db2.gz ACNJKZOEADYOPX-SFHVURJKSA-N 1 2 339.439 2.422 20 30 EEEDLO CC(C)CCc1noc(C[NH2+]C[C@@H]2CCCN2C(=O)C#CC2CC2)n1 ZINC001045028980 1233454483 /nfs/dbraw/zinc/45/44/83/1233454483.db2.gz SSQMQPYKTFHHLF-INIZCTEOSA-N 1 2 344.459 2.152 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2OCC)CC1 ZINC001045374929 1233702817 /nfs/dbraw/zinc/70/28/17/1233702817.db2.gz MPAMUDFZYGEOGN-CHWSQXEVSA-N 1 2 345.281 2.291 20 30 EEEDLO C=CCn1cccc1C(=O)NC1(C)CC[NH+](Cc2nonc2C)CC1 ZINC001045461444 1233758319 /nfs/dbraw/zinc/75/83/19/1233758319.db2.gz ZNMWLNVJBMBSLI-UHFFFAOYSA-N 1 2 343.431 2.150 20 30 EEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000800338393 1234055197 /nfs/dbraw/zinc/05/51/97/1234055197.db2.gz OCJNPGSGVCROKV-CQSZACIVSA-N 1 2 326.437 2.293 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+]1CC[C@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046253419 1234598051 /nfs/dbraw/zinc/59/80/51/1234598051.db2.gz YFXHZIHUNOCJSD-SFHVURJKSA-N 1 2 341.415 2.392 20 30 EEEDLO CC(C)c1ocnc1C[N@H+]1CC[C@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046253419 1234598052 /nfs/dbraw/zinc/59/80/52/1234598052.db2.gz YFXHZIHUNOCJSD-SFHVURJKSA-N 1 2 341.415 2.392 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2ncc(CC)o2)C1 ZINC001046318857 1234663713 /nfs/dbraw/zinc/66/37/13/1234663713.db2.gz HCXCFPJXGWNYRK-JTDSTZFVSA-N 1 2 347.459 2.299 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2ncc(CC)o2)C1 ZINC001046318857 1234663714 /nfs/dbraw/zinc/66/37/14/1234663714.db2.gz HCXCFPJXGWNYRK-JTDSTZFVSA-N 1 2 347.459 2.299 20 30 EEEDLO Cc1cc(N2CCC(N(C)C(=O)[C@@H](C)C#N)CC2)nc(C2CC2)[nH+]1 ZINC001096100395 1234857966 /nfs/dbraw/zinc/85/79/66/1234857966.db2.gz GJTJZJLNYKXMHW-LBPRGKRZSA-N 1 2 327.432 2.249 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001046534519 1234916461 /nfs/dbraw/zinc/91/64/61/1234916461.db2.gz GGJGGGRLBPUUID-SFHVURJKSA-N 1 2 325.416 2.242 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001046534519 1234916464 /nfs/dbraw/zinc/91/64/64/1234916464.db2.gz GGJGGGRLBPUUID-SFHVURJKSA-N 1 2 325.416 2.242 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001046702626 1235088642 /nfs/dbraw/zinc/08/86/42/1235088642.db2.gz NXZQANWTTGLIAC-LBPRGKRZSA-N 1 2 336.745 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001046702626 1235088644 /nfs/dbraw/zinc/08/86/44/1235088644.db2.gz NXZQANWTTGLIAC-LBPRGKRZSA-N 1 2 336.745 2.375 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001067715079 1249422914 /nfs/dbraw/zinc/42/29/14/1249422914.db2.gz LQPGZODYXMRGLI-DLBZAZTESA-N 1 2 348.491 2.428 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H](C2CC[NH+](Cc3csnn3)CC2)C1 ZINC001047232587 1235711621 /nfs/dbraw/zinc/71/16/21/1235711621.db2.gz VGTWCSYYYZYXEA-DZGCQCFKSA-N 1 2 347.488 2.148 20 30 EEEDLO CCCCCCC(=O)NCC[NH+]1CCN(c2ccncc2C#N)CC1 ZINC001096281813 1237086353 /nfs/dbraw/zinc/08/63/53/1237086353.db2.gz LGNNBHCJRRKJRA-UHFFFAOYSA-N 1 2 343.475 2.162 20 30 EEEDLO Cc1cc(N2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)c(C#N)cn1 ZINC001056075733 1238683147 /nfs/dbraw/zinc/68/31/47/1238683147.db2.gz YULBREREVCKJDD-UHFFFAOYSA-N 1 2 346.394 2.100 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001056300492 1239157512 /nfs/dbraw/zinc/15/75/12/1239157512.db2.gz MGJVRVXCLRDYJK-BBWFWOEESA-N 1 2 344.459 2.392 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001056406091 1239330827 /nfs/dbraw/zinc/33/08/27/1239330827.db2.gz UTPNFXXIFJMYMY-JKSUJKDBSA-N 1 2 344.459 2.077 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001067853236 1239345019 /nfs/dbraw/zinc/34/50/19/1239345019.db2.gz RXRNTZHSLDVABB-JKSUJKDBSA-N 1 2 334.464 2.038 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001056690842 1239656113 /nfs/dbraw/zinc/65/61/13/1239656113.db2.gz CZUPOTLENAIORQ-DOTOQJQBSA-N 1 2 344.459 2.066 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1C[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001056707486 1239696219 /nfs/dbraw/zinc/69/62/19/1239696219.db2.gz MVPMGXJTYXCRQM-OWCLPIDISA-N 1 2 344.459 2.004 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([NH2+][C@H](C)c3nc(COC)no3)C2)C1 ZINC001000129877 1239977553 /nfs/dbraw/zinc/97/75/53/1239977553.db2.gz LNCIWICYEKEIEI-KGLIPLIRSA-N 1 2 348.447 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cc(C(F)F)n[nH]2)CC1 ZINC001001138154 1241708829 /nfs/dbraw/zinc/70/88/29/1241708829.db2.gz XYJZACQVMHIVKH-UHFFFAOYSA-N 1 2 330.766 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cc(C(F)F)n[nH]2)CC1 ZINC001001138154 1241708836 /nfs/dbraw/zinc/70/88/36/1241708836.db2.gz XYJZACQVMHIVKH-UHFFFAOYSA-N 1 2 330.766 2.462 20 30 EEEDLO Cc1nc(N[C@@H]2CCCCCN(C(=O)c3c[nH]c(C#N)c3)C2)cc[nH+]1 ZINC001049867702 1242468369 /nfs/dbraw/zinc/46/83/69/1242468369.db2.gz OHYBJYVDWOFXDU-OAHLLOKOSA-N 1 2 338.415 2.482 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cncc(CC)c2)C1 ZINC001073697173 1242666018 /nfs/dbraw/zinc/66/60/18/1242666018.db2.gz AKYMOTXCJAPMHY-MRXNPFEDSA-N 1 2 337.851 2.217 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cncc(CC)c2)C1 ZINC001073697173 1242666031 /nfs/dbraw/zinc/66/60/31/1242666031.db2.gz AKYMOTXCJAPMHY-MRXNPFEDSA-N 1 2 337.851 2.217 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccon3)[C@@H]2C1 ZINC001049985735 1242967243 /nfs/dbraw/zinc/96/72/43/1242967243.db2.gz KHCOHPIDBDIDRA-WCQYABFASA-N 1 2 340.221 2.120 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccon3)[C@@H]2C1 ZINC001049985735 1242967239 /nfs/dbraw/zinc/96/72/39/1242967239.db2.gz KHCOHPIDBDIDRA-WCQYABFASA-N 1 2 340.221 2.120 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2C[C@@H]3CCCN(C(=O)[C@H](C)C#N)[C@@H]3C2)n1 ZINC001049995623 1242993314 /nfs/dbraw/zinc/99/33/14/1242993314.db2.gz NTQRFDXATIFLFZ-HLLBOEOZSA-N 1 2 329.448 2.046 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2C[C@@H]3CCCN(C(=O)[C@H](C)C#N)[C@@H]3C2)n1 ZINC001049995623 1242993326 /nfs/dbraw/zinc/99/33/26/1242993326.db2.gz NTQRFDXATIFLFZ-HLLBOEOZSA-N 1 2 329.448 2.046 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]2C[N@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001049999682 1243006881 /nfs/dbraw/zinc/00/68/81/1243006881.db2.gz MSHJVFWCOAFOIZ-AEGPPILISA-N 1 2 328.416 2.134 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001049999682 1243006895 /nfs/dbraw/zinc/00/68/95/1243006895.db2.gz MSHJVFWCOAFOIZ-AEGPPILISA-N 1 2 328.416 2.134 20 30 EEEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccccn1 ZINC001096729451 1243174907 /nfs/dbraw/zinc/17/49/07/1243174907.db2.gz PGRADHBHBXRFIG-RLLQIKCJSA-N 1 2 331.419 2.468 20 30 EEEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccccn1 ZINC001096729451 1243174911 /nfs/dbraw/zinc/17/49/11/1243174911.db2.gz PGRADHBHBXRFIG-RLLQIKCJSA-N 1 2 331.419 2.468 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001097089456 1243688871 /nfs/dbraw/zinc/68/88/71/1243688871.db2.gz XCCXWHMSNPCUAD-RBSFLKMASA-N 1 2 343.475 2.126 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001097089456 1243688875 /nfs/dbraw/zinc/68/88/75/1243688875.db2.gz XCCXWHMSNPCUAD-RBSFLKMASA-N 1 2 343.475 2.126 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001097221692 1243845699 /nfs/dbraw/zinc/84/56/99/1243845699.db2.gz QLOYUYSAWFEZAK-OKILXGFUSA-N 1 2 340.431 2.191 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001097337499 1244013086 /nfs/dbraw/zinc/01/30/86/1244013086.db2.gz JYAWVQKRECVTGN-CQSZACIVSA-N 1 2 342.447 2.052 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[NH+](Cc1cnn(CC)n1)CC2 ZINC001050645753 1244024638 /nfs/dbraw/zinc/02/46/38/1244024638.db2.gz XPTQZWFOJBLGJU-SFHVURJKSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[NH+](Cc1nnc(C)[nH]1)CC2 ZINC001050649683 1244033454 /nfs/dbraw/zinc/03/34/54/1244033454.db2.gz FTYJTVIQPYWKCJ-QGZVFWFLSA-N 1 2 331.464 2.140 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001050741874 1244260277 /nfs/dbraw/zinc/26/02/77/1244260277.db2.gz JNFGKUKWYBBIKP-CVEARBPZSA-N 1 2 346.475 2.229 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([C@H](C)NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050846427 1244482823 /nfs/dbraw/zinc/48/28/23/1244482823.db2.gz XQWWXNMTUGJTGL-GJZGRUSLSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3ncn(C)c3n1)C2 ZINC001097841857 1244653128 /nfs/dbraw/zinc/65/31/28/1244653128.db2.gz YGEDUTKZNFYUOO-DFBGVHRSSA-N 1 2 345.834 2.056 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3ncn(C)c3n1)C2 ZINC001097841857 1244653132 /nfs/dbraw/zinc/65/31/32/1244653132.db2.gz YGEDUTKZNFYUOO-DFBGVHRSSA-N 1 2 345.834 2.056 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC001050956991 1244724534 /nfs/dbraw/zinc/72/45/34/1244724534.db2.gz HXEWQBCWRLKNNT-SJLPKXTDSA-N 1 2 343.471 2.003 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC001050956991 1244724544 /nfs/dbraw/zinc/72/45/44/1244724544.db2.gz HXEWQBCWRLKNNT-SJLPKXTDSA-N 1 2 343.471 2.003 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCN(C)c2ccccc21 ZINC001050956992 1244724809 /nfs/dbraw/zinc/72/48/09/1244724809.db2.gz HXEWQBCWRLKNNT-WMZOPIPTSA-N 1 2 343.471 2.003 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCN(C)c2ccccc21 ZINC001050956992 1244724816 /nfs/dbraw/zinc/72/48/16/1244724816.db2.gz HXEWQBCWRLKNNT-WMZOPIPTSA-N 1 2 343.471 2.003 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2oc(C)nc2c1 ZINC001050979660 1244773554 /nfs/dbraw/zinc/77/35/54/1244773554.db2.gz YRMQLRMMUPYGRS-OAHLLOKOSA-N 1 2 329.400 2.143 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2oc(C)nc2c1 ZINC001050979660 1244773558 /nfs/dbraw/zinc/77/35/58/1244773558.db2.gz YRMQLRMMUPYGRS-OAHLLOKOSA-N 1 2 329.400 2.143 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1 ZINC001050996623 1244818301 /nfs/dbraw/zinc/81/83/01/1244818301.db2.gz MLCIMOQIFYZLMT-MRXNPFEDSA-N 1 2 334.464 2.035 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1 ZINC001050996623 1244818312 /nfs/dbraw/zinc/81/83/12/1244818312.db2.gz MLCIMOQIFYZLMT-MRXNPFEDSA-N 1 2 334.464 2.035 20 30 EEEDLO C=CCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001051044193 1244900980 /nfs/dbraw/zinc/90/09/80/1244900980.db2.gz ZVNDVZGJDHQRQS-CVEARBPZSA-N 1 2 346.475 2.246 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001052815754 1245059631 /nfs/dbraw/zinc/05/96/31/1245059631.db2.gz WQPPEQVXTZDRMG-HUUCEWRRSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001052815754 1245059636 /nfs/dbraw/zinc/05/96/36/1245059636.db2.gz WQPPEQVXTZDRMG-HUUCEWRRSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ncoc1-c1cccs1 ZINC001051170771 1245083309 /nfs/dbraw/zinc/08/33/09/1245083309.db2.gz HJLOZPZNUNPVLA-CYBMUJFWSA-N 1 2 347.440 2.410 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ncoc1-c1cccs1 ZINC001051170771 1245083322 /nfs/dbraw/zinc/08/33/22/1245083322.db2.gz HJLOZPZNUNPVLA-CYBMUJFWSA-N 1 2 347.440 2.410 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001051218846 1245404801 /nfs/dbraw/zinc/40/48/01/1245404801.db2.gz JUNYAPVHTCGMPS-INIZCTEOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001051218846 1245404804 /nfs/dbraw/zinc/40/48/04/1245404804.db2.gz JUNYAPVHTCGMPS-INIZCTEOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCCN(CCC)c1[nH+]cnc2c1cnn2C ZINC001101222237 1245535851 /nfs/dbraw/zinc/53/58/51/1245535851.db2.gz DBNXVWUBBZDGPJ-AWEZNQCLSA-N 1 2 344.463 2.298 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H]([C@H](C)NC(=O)Cc3[nH]cc[nH+]3)C2)CCC1 ZINC001051532804 1245842494 /nfs/dbraw/zinc/84/24/94/1245842494.db2.gz KWHMHBGOAWPKEJ-GJZGRUSLSA-N 1 2 344.459 2.052 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C1(C(F)F)CCC1)c1nccn12 ZINC001101637471 1246070575 /nfs/dbraw/zinc/07/05/75/1246070575.db2.gz MOPVVOPRRXXPQZ-LBPRGKRZSA-N 1 2 336.386 2.076 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCCC1CC1)c1nccn12 ZINC001101640090 1246071060 /nfs/dbraw/zinc/07/10/60/1246071060.db2.gz WLJQFDWAQWFYGK-MRXNPFEDSA-N 1 2 326.444 2.059 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCO[C@H](C[NH2+][C@H](C)c2nc(C3CC3)no2)C1 ZINC001051756098 1246075822 /nfs/dbraw/zinc/07/58/22/1246075822.db2.gz NZKQRYPDNFWJFQ-TZMCWYRMSA-N 1 2 348.447 2.037 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H](C)n1cccc1)c1nccn12 ZINC001101650844 1246082523 /nfs/dbraw/zinc/08/25/23/1246082523.db2.gz CQKWPGHYNWAEKY-CVEARBPZSA-N 1 2 339.443 2.094 20 30 EEEDLO Cc1ccc(C)c(C[NH+]2CC3(C2)CN(C(=O)C#CC2CC2)CCO3)c1 ZINC001053249784 1246095018 /nfs/dbraw/zinc/09/50/18/1246095018.db2.gz CRIMOZKBXWBBDL-UHFFFAOYSA-N 1 2 338.451 2.130 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnc3ccsc3c1)CCO2 ZINC001053370181 1246244985 /nfs/dbraw/zinc/24/49/85/1246244985.db2.gz YHSXNGGHNFCWDV-UHFFFAOYSA-N 1 2 343.452 2.399 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3ccccc3C)C2)CC1 ZINC001051976736 1246334059 /nfs/dbraw/zinc/33/40/59/1246334059.db2.gz JZQVREGHRWRLNT-SFHVURJKSA-N 1 2 327.472 2.403 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CC3CCCCC3)C2)CC1 ZINC001051977759 1246335767 /nfs/dbraw/zinc/33/57/67/1246335767.db2.gz FPNBEAPBWRZKOH-LJQANCHMSA-N 1 2 331.504 2.199 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc3c(s1)CCC3)CCO2 ZINC001053525022 1246431954 /nfs/dbraw/zinc/43/19/54/1246431954.db2.gz UGWPYTUFWGSWHL-UHFFFAOYSA-N 1 2 332.469 2.340 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H](N3CC[NH+](C[C@@H](F)CC)CC3)C2)C1 ZINC001052081142 1246458586 /nfs/dbraw/zinc/45/85/86/1246458586.db2.gz JICKJATXTJZWGG-IRXDYDNUSA-N 1 2 337.483 2.309 20 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C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC001052123067 1246508938 /nfs/dbraw/zinc/50/89/38/1246508938.db2.gz ATJDZTXWXTUOQH-MSOLQXFVSA-N 1 2 331.504 2.055 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cncc(Cl)c1C)O2 ZINC001053610523 1246529668 /nfs/dbraw/zinc/52/96/68/1246529668.db2.gz SGFIQCBYGRXVGE-ZDUSSCGKSA-N 1 2 335.835 2.193 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)[C@@H]1CCCCO1)CO2 ZINC001053803948 1246814185 /nfs/dbraw/zinc/81/41/85/1246814185.db2.gz HEXIEUXJPFRHAB-HOTGVXAUSA-N 1 2 336.476 2.117 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3cc(F)ccc3[nH]1)CO2 ZINC001053888795 1246971434 /nfs/dbraw/zinc/97/14/34/1246971434.db2.gz RYUKGYSDPYAMJQ-OAHLLOKOSA-N 1 2 343.402 2.456 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)CO2 ZINC001053950225 1247056666 /nfs/dbraw/zinc/05/66/66/1247056666.db2.gz XLOAPMWMKAIFQG-KURKYZTESA-N 1 2 326.440 2.326 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@]1(C)CCc3ccccc31)CO2 ZINC001054018822 1247156480 /nfs/dbraw/zinc/15/64/80/1247156480.db2.gz ITHGMAKOJLXNGO-FXAWDEMLSA-N 1 2 340.467 2.426 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cscn1 ZINC001054034750 1247185477 /nfs/dbraw/zinc/18/54/77/1247185477.db2.gz XXFRLVYFICSEIL-INIZCTEOSA-N 1 2 325.437 2.323 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cscn1 ZINC001054034750 1247185479 /nfs/dbraw/zinc/18/54/79/1247185479.db2.gz XXFRLVYFICSEIL-INIZCTEOSA-N 1 2 325.437 2.323 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1nc(C)oc1C ZINC001054057880 1247261908 /nfs/dbraw/zinc/26/19/08/1247261908.db2.gz TZDAEQCSGCHBSZ-GOSISDBHSA-N 1 2 337.423 2.471 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1nc(C)oc1C ZINC001054057880 1247261919 /nfs/dbraw/zinc/26/19/19/1247261919.db2.gz TZDAEQCSGCHBSZ-GOSISDBHSA-N 1 2 337.423 2.471 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cnn(C(C)C)c1 ZINC001054058333 1247264690 /nfs/dbraw/zinc/26/46/90/1247264690.db2.gz ILHOAAMHJLRZKH-IBGZPJMESA-N 1 2 336.439 2.254 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cnn(C(C)C)c1 ZINC001054058333 1247264698 /nfs/dbraw/zinc/26/46/98/1247264698.db2.gz ILHOAAMHJLRZKH-IBGZPJMESA-N 1 2 336.439 2.254 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@H](C)[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001052613887 1247691594 /nfs/dbraw/zinc/69/15/94/1247691594.db2.gz ZGFJSPGIFBLYSK-JKSUJKDBSA-N 1 2 346.475 2.086 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCc4c[nH]nc43)cc2C1 ZINC001054265386 1247936554 /nfs/dbraw/zinc/93/65/54/1247936554.db2.gz MLERWOCXOVWDPZ-GOSISDBHSA-N 1 2 334.423 2.095 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCc4c[nH]nc43)cc2C1 ZINC001054265386 1247936566 /nfs/dbraw/zinc/93/65/66/1247936566.db2.gz MLERWOCXOVWDPZ-GOSISDBHSA-N 1 2 334.423 2.095 20 30 EEEDLO C#CCC[N@H+]1Cc2ccc(CNC(=O)c3ccc4[nH]nnc4c3)cc2C1 ZINC001054291246 1248026248 /nfs/dbraw/zinc/02/62/48/1248026248.db2.gz CMRJJXADOOWBGF-UHFFFAOYSA-N 1 2 345.406 2.227 20 30 EEEDLO C#CCC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4[nH]nnc4c3)cc2C1 ZINC001054291246 1248026255 /nfs/dbraw/zinc/02/62/55/1248026255.db2.gz CMRJJXADOOWBGF-UHFFFAOYSA-N 1 2 345.406 2.227 20 30 EEEDLO Cc1nc(N[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C)ccc1C#N ZINC001068828535 1251750421 /nfs/dbraw/zinc/75/04/21/1251750421.db2.gz FSCGLAWYUJCNDU-HIFRSBDPSA-N 1 2 338.415 2.019 20 30 EEEDLO CCCC[N@@H+]1Cc2cnn(C3CCN(C(=O)[C@@H](C)C#N)CC3)c2C1 ZINC001070344322 1253550206 /nfs/dbraw/zinc/55/02/06/1253550206.db2.gz HJPUSFLBFWOOFH-AWEZNQCLSA-N 1 2 329.448 2.322 20 30 EEEDLO CCCC[N@H+]1Cc2cnn(C3CCN(C(=O)[C@@H](C)C#N)CC3)c2C1 ZINC001070344322 1253550209 /nfs/dbraw/zinc/55/02/09/1253550209.db2.gz HJPUSFLBFWOOFH-AWEZNQCLSA-N 1 2 329.448 2.322 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@]2(C1)CN(C(=O)CCC)C[C@H](C)O2 ZINC001071123591 1253968384 /nfs/dbraw/zinc/96/83/84/1253968384.db2.gz AXTINFONJXCSMZ-ZFWWWQNUSA-N 1 2 345.281 2.387 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCC)C[C@H](C)O2 ZINC001071123591 1253968402 /nfs/dbraw/zinc/96/84/02/1253968402.db2.gz AXTINFONJXCSMZ-ZFWWWQNUSA-N 1 2 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C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)/C=C/C(C)(C)C ZINC001231255262 1303705649 /nfs/dbraw/zinc/70/56/49/1303705649.db2.gz LARHQRZZMKVBOJ-KAMXEHQASA-N 1 2 347.503 2.322 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)[nH]1)C2 ZINC001111762629 1303852197 /nfs/dbraw/zinc/85/21/97/1303852197.db2.gz GKCJIBXDYHODIB-KSSFIOAISA-N 1 2 331.464 2.186 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)[nH]1)C2 ZINC001111762629 1303852200 /nfs/dbraw/zinc/85/22/00/1303852200.db2.gz GKCJIBXDYHODIB-KSSFIOAISA-N 1 2 331.464 2.186 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1cccc(C)c1O ZINC001231591637 1303859357 /nfs/dbraw/zinc/85/93/57/1303859357.db2.gz JAICNAZUQMVBML-MRXNPFEDSA-N 1 2 328.416 2.131 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1cccc(C)c1O ZINC001231591637 1303859361 /nfs/dbraw/zinc/85/93/61/1303859361.db2.gz JAICNAZUQMVBML-MRXNPFEDSA-N 1 2 328.416 2.131 20 30 EEEDLO CCCCc1[nH]c(CN2CC[C@H]3C[C@]32C(=O)NC2(C#N)CCC2)c[nH+]1 ZINC001277614087 1304002534 /nfs/dbraw/zinc/00/25/34/1304002534.db2.gz XQHPAQWDKUOISM-IFXJQAMLSA-N 1 2 341.459 2.279 20 30 EEEDLO CCCCc1[nH]cc(CN2CC[C@H]3C[C@]32C(=O)NC2(C#N)CCC2)[nH+]1 ZINC001277614087 1304002540 /nfs/dbraw/zinc/00/25/40/1304002540.db2.gz XQHPAQWDKUOISM-IFXJQAMLSA-N 1 2 341.459 2.279 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC1(Nc2nc(N(C)C)nc(C)[nH+]2)CCC1 ZINC001111888614 1304054772 /nfs/dbraw/zinc/05/47/72/1304054772.db2.gz TTXCAHWDNCSWHO-OLZOCXBDSA-N 1 2 346.479 2.155 20 30 EEEDLO Cc1nc(N2CCC[C@H](NC(=O)[C@H](C)C#N)CC2)c2c([nH+]1)CCCC2 ZINC001111979514 1304127813 /nfs/dbraw/zinc/12/78/13/1304127813.db2.gz IKCIZYIKIUBISS-HIFRSBDPSA-N 1 2 341.459 2.299 20 30 EEEDLO C=CCOC[C@@H]1CN(Cc2c[nH+]c(C)[nH]2)Cc2nnn(CC3CC3)c21 ZINC001232460544 1304132641 /nfs/dbraw/zinc/13/26/41/1304132641.db2.gz UZCWFNLZFZIRNL-HNNXBMFYSA-N 1 2 342.447 2.022 20 30 EEEDLO C=CCOC[C@@H]1CN(Cc2c[nH]c(C)[nH+]2)Cc2nnn(CC3CC3)c21 ZINC001232460544 1304132648 /nfs/dbraw/zinc/13/26/48/1304132648.db2.gz UZCWFNLZFZIRNL-HNNXBMFYSA-N 1 2 342.447 2.022 20 30 EEEDLO CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3O)CC[C@H]21 ZINC001232676501 1304212052 /nfs/dbraw/zinc/21/20/52/1304212052.db2.gz KQHZEXTYTJSXDR-DOTOQJQBSA-N 1 2 327.428 2.343 20 30 EEEDLO CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3O)CC[C@H]21 ZINC001232676501 1304212056 /nfs/dbraw/zinc/21/20/56/1304212056.db2.gz KQHZEXTYTJSXDR-DOTOQJQBSA-N 1 2 327.428 2.343 20 30 EEEDLO N#Cc1ccc(O)c(C[NH+]2CCC(NC(=O)c3ccncc3)CC2)c1 ZINC001232680694 1304215349 /nfs/dbraw/zinc/21/53/49/1304215349.db2.gz GKNPSBRIAPIEEB-UHFFFAOYSA-N 1 2 336.395 2.053 20 30 EEEDLO CC(=NN1CC[NH+](C)CC1)c1cc(Br)cc(F)c1O ZINC000783774136 1304352025 /nfs/dbraw/zinc/35/20/25/1304352025.db2.gz RNVXDFIZZLLVQE-UHFFFAOYSA-N 1 2 330.201 2.265 20 30 EEEDLO Cc1nc(N2CC[C@H](NC(=O)C#CC3CC3)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC001112407456 1304529414 /nfs/dbraw/zinc/52/94/14/1304529414.db2.gz OUTSCEUMPCICKJ-PXAZEXFGSA-N 1 2 326.444 2.146 20 30 EEEDLO CC[C@H](C)OCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001233734195 1304572344 /nfs/dbraw/zinc/57/23/44/1304572344.db2.gz YBTIGFPUEBFDJL-UONOGXRCSA-N 1 2 335.473 2.468 20 30 EEEDLO CC[C@H](C)OCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001233734195 1304572349 /nfs/dbraw/zinc/57/23/49/1304572349.db2.gz YBTIGFPUEBFDJL-UONOGXRCSA-N 1 2 335.473 2.468 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C(C)C)C(C)C ZINC001233762628 1304582431 /nfs/dbraw/zinc/58/24/31/1304582431.db2.gz UCORKFBQLBGBGU-SFHVURJKSA-N 1 2 349.519 2.358 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C(C)C)C(C)C ZINC001233762628 1304582437 /nfs/dbraw/zinc/58/24/37/1304582437.db2.gz UCORKFBQLBGBGU-SFHVURJKSA-N 1 2 349.519 2.358 20 30 EEEDLO CO[C@H](C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001233826450 1304605012 /nfs/dbraw/zinc/60/50/12/1304605012.db2.gz BGXMUINXHPKLCF-QAPCUYQASA-N 1 2 329.444 2.406 20 30 EEEDLO CO[C@H](C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001233826450 1304605017 /nfs/dbraw/zinc/60/50/17/1304605017.db2.gz BGXMUINXHPKLCF-QAPCUYQASA-N 1 2 329.444 2.406 20 30 EEEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N1CCCC[C@H]1CC ZINC001233948477 1304653829 /nfs/dbraw/zinc/65/38/29/1304653829.db2.gz WIMUKYKNCBCLOK-MSOLQXFVSA-N 1 2 347.503 2.114 20 30 EEEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N1CCCC[C@H]1CC ZINC001233948477 1304653835 /nfs/dbraw/zinc/65/38/35/1304653835.db2.gz WIMUKYKNCBCLOK-MSOLQXFVSA-N 1 2 347.503 2.114 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001233977268 1304665594 /nfs/dbraw/zinc/66/55/94/1304665594.db2.gz MQTFDPPPRWWGDH-QUCCMNQESA-N 1 2 344.430 2.037 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001233977268 1304665602 /nfs/dbraw/zinc/66/56/02/1304665602.db2.gz MQTFDPPPRWWGDH-QUCCMNQESA-N 1 2 344.430 2.037 20 30 EEEDLO C[C@@H](CCCNc1ccc(C#N)nn1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001115112617 1304697181 /nfs/dbraw/zinc/69/71/81/1304697181.db2.gz TTXDECMMLXVUAK-LBPRGKRZSA-N 1 2 349.398 2.235 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CCn1cc(Cl)cn1)C(=O)C#CC(C)(C)C ZINC001234214602 1304801530 /nfs/dbraw/zinc/80/15/30/1304801530.db2.gz DLMMMAIRUKADEI-HNNXBMFYSA-N 1 2 336.867 2.119 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CCn1cc(Cl)cn1)C(=O)C#CC(C)(C)C ZINC001234214602 1304801535 /nfs/dbraw/zinc/80/15/35/1304801535.db2.gz DLMMMAIRUKADEI-HNNXBMFYSA-N 1 2 336.867 2.119 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000798274370 1304968932 /nfs/dbraw/zinc/96/89/32/1304968932.db2.gz CQQQILJTMUOCDX-TZMCWYRMSA-N 1 2 335.379 2.380 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C(C)C ZINC001234563042 1304970011 /nfs/dbraw/zinc/97/00/11/1304970011.db2.gz NASUNUQWGMHVDC-QGZVFWFLSA-N 1 2 349.519 2.402 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C(C)C ZINC001234563042 1304970014 /nfs/dbraw/zinc/97/00/14/1304970014.db2.gz NASUNUQWGMHVDC-QGZVFWFLSA-N 1 2 349.519 2.402 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C1CCCC1 ZINC001235407306 1305219069 /nfs/dbraw/zinc/21/90/69/1305219069.db2.gz FJTBTHAFCSXPMG-NVXWUHKLSA-N 1 2 349.519 2.426 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C1CCCC1 ZINC001235407306 1305219075 /nfs/dbraw/zinc/21/90/75/1305219075.db2.gz FJTBTHAFCSXPMG-NVXWUHKLSA-N 1 2 349.519 2.426 20 30 EEEDLO CC(C)(C#N)CCON=C(N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000799964180 1305520540 /nfs/dbraw/zinc/52/05/40/1305520540.db2.gz YIWNICZPDYAPLS-INIZCTEOSA-N 1 2 330.432 2.326 20 30 EEEDLO CC(C)(C#N)CCON=C(N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000799964180 1305520546 /nfs/dbraw/zinc/52/05/46/1305520546.db2.gz YIWNICZPDYAPLS-INIZCTEOSA-N 1 2 330.432 2.326 20 30 EEEDLO C#CC[N@@H+](Cc1nc2oc(C)c(C(=O)OCC)c2c(N)n1)CC1CC1 ZINC001116711077 1305912460 /nfs/dbraw/zinc/91/24/60/1305912460.db2.gz GIKBVUAMNRBBNS-UHFFFAOYSA-N 1 2 342.399 2.135 20 30 EEEDLO C#CC[N@H+](Cc1nc2oc(C)c(C(=O)OCC)c2c(N)n1)CC1CC1 ZINC001116711077 1305912464 /nfs/dbraw/zinc/91/24/64/1305912464.db2.gz GIKBVUAMNRBBNS-UHFFFAOYSA-N 1 2 342.399 2.135 20 30 EEEDLO C#CCOc1cc(F)ccc1NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001119754393 1309190318 /nfs/dbraw/zinc/19/03/18/1309190318.db2.gz IDBAICXTPUFEBF-AWEZNQCLSA-N 1 2 349.406 2.022 20 30 EEEDLO C[C@H](CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1)Nc1ncc(C#N)cc1F ZINC001120759887 1309733406 /nfs/dbraw/zinc/73/34/06/1309733406.db2.gz VCNPNMGWIMMIQG-CHWSQXEVSA-N 1 2 344.394 2.199 20 30 EEEDLO C[C@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)Nc1ncccc1C#N ZINC001120877963 1309808962 /nfs/dbraw/zinc/80/89/62/1309808962.db2.gz GAEDHVRZIQTLLW-GFCCVEGCSA-N 1 2 334.383 2.402 20 30 EEEDLO Cn1c2ccccc2n(C2CC[NH+](Cc3ccc(C#N)nc3)CC2)c1=O ZINC001140544471 1314902839 /nfs/dbraw/zinc/90/28/39/1314902839.db2.gz QKCFMFADMAXDPI-UHFFFAOYSA-N 1 2 347.422 2.444 20 30 EEEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C(=O)[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000839961651 1315265529 /nfs/dbraw/zinc/26/55/29/1315265529.db2.gz XKDQZIRJPGWWPX-PKOBYXMFSA-N 1 2 325.412 2.118 20 30 EEEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C(=O)[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000839961651 1315265533 /nfs/dbraw/zinc/26/55/33/1315265533.db2.gz XKDQZIRJPGWWPX-PKOBYXMFSA-N 1 2 325.412 2.118 20 30 EEEDLO N#CCC1CC[NH+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000840042145 1315281845 /nfs/dbraw/zinc/28/18/45/1315281845.db2.gz GKLATSRLHFMFEK-QGZVFWFLSA-N 1 2 344.371 2.115 20 30 EEEDLO C#CCCCCC(=O)NC[C@@H]1C[N@H+](Cc2nc(C)c(C)o2)CCCO1 ZINC001149560209 1315991157 /nfs/dbraw/zinc/99/11/57/1315991157.db2.gz RMUPTSLPWRGRLZ-QGZVFWFLSA-N 1 2 347.459 2.192 20 30 EEEDLO C#CCCCCC(=O)NC[C@@H]1C[N@@H+](Cc2nc(C)c(C)o2)CCCO1 ZINC001149560209 1315991160 /nfs/dbraw/zinc/99/11/60/1315991160.db2.gz RMUPTSLPWRGRLZ-QGZVFWFLSA-N 1 2 347.459 2.192 20 30 EEEDLO COCCC1(NC(=O)C#CC(C)(C)C)CC[NH+](Cc2ccon2)CC1 ZINC001151121098 1316453222 /nfs/dbraw/zinc/45/32/22/1316453222.db2.gz GBQLTBXYPXTCCU-UHFFFAOYSA-N 1 2 347.459 2.211 20 30 EEEDLO N#Cc1ccc(N2CCCN(C(=O)c3c[nH]c4cc[nH+]cc34)CC2)nc1 ZINC001152976590 1316752058 /nfs/dbraw/zinc/75/20/58/1316752058.db2.gz UONHUGHWFSWVIA-UHFFFAOYSA-N 1 2 346.394 2.182 20 30 EEEDLO C#CCOCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccncc1Cl ZINC001153302976 1316807578 /nfs/dbraw/zinc/80/75/78/1316807578.db2.gz ZCJJXHVTURAMOM-CQSZACIVSA-N 1 2 337.851 2.102 20 30 EEEDLO C#CCOCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccncc1Cl ZINC001153302976 1316807580 /nfs/dbraw/zinc/80/75/80/1316807580.db2.gz ZCJJXHVTURAMOM-CQSZACIVSA-N 1 2 337.851 2.102 20 30 EEEDLO C#CC[C@@H](CC(=O)NCC[NH2+][C@@H](C)c1nc(C)no1)c1ccccc1 ZINC001153699697 1316865544 /nfs/dbraw/zinc/86/55/44/1316865544.db2.gz IPLIQTZHNMIOPD-YOEHRIQHSA-N 1 2 340.427 2.342 20 30 EEEDLO N#Cc1ccc(CN2CCCC3(C[NH+](Cc4cccc(=O)[nH]4)C3)C2)cn1 ZINC001278591243 1317294650 /nfs/dbraw/zinc/29/46/50/1317294650.db2.gz OQXGDWRMPAGSNZ-UHFFFAOYSA-N 1 2 349.438 2.152 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@H+](CC)CC(=O)Nc1ccon1 ZINC001155041036 1317429365 /nfs/dbraw/zinc/42/93/65/1317429365.db2.gz LKSDDCWBJKHDLW-CXAGYDPISA-N 1 2 336.436 2.042 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccon1 ZINC001155041036 1317429369 /nfs/dbraw/zinc/42/93/69/1317429369.db2.gz LKSDDCWBJKHDLW-CXAGYDPISA-N 1 2 336.436 2.042 20 30 EEEDLO CCCCCCCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)CC)CC1 ZINC001252130471 1317559599 /nfs/dbraw/zinc/55/95/99/1317559599.db2.gz RGFOXIOKNYDZBQ-MRXNPFEDSA-N 1 2 334.526 2.065 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@H]2OCC[N@H+]([C@@H]3CC[C@H](C#N)C3)[C@H]2C1 ZINC001254660192 1318158457 /nfs/dbraw/zinc/15/84/57/1318158457.db2.gz WFZODHNYCLCHAQ-XUWVNRHRSA-N 1 2 335.448 2.389 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@H]2OCC[N@@H+]([C@@H]3CC[C@H](C#N)C3)[C@H]2C1 ZINC001254660192 1318158460 /nfs/dbraw/zinc/15/84/60/1318158460.db2.gz WFZODHNYCLCHAQ-XUWVNRHRSA-N 1 2 335.448 2.389 20 30 EEEDLO COc1cc(N2CCN(c3nc(Cl)nc(C)c3C#N)CC2)cc[nH+]1 ZINC001158100119 1319014223 /nfs/dbraw/zinc/01/42/23/1319014223.db2.gz XYZVFHLNEKAAGS-UHFFFAOYSA-N 1 2 344.806 2.040 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H](Nc2nc3ccc(C)cc3c(Cl)c2C#N)C[NH2+]1 ZINC001158259467 1319121221 /nfs/dbraw/zinc/12/12/21/1319121221.db2.gz MBMMFHVWFPKBEO-YGRLFVJLSA-N 1 2 344.802 2.384 20 30 EEEDLO N#CCOc1ccc(C[NH2+]CCCNC(=O)C(F)C(F)(F)F)cc1 ZINC001158472229 1319256646 /nfs/dbraw/zinc/25/66/46/1319256646.db2.gz VJLVBPRKKYCDSP-ZDUSSCGKSA-N 1 2 347.312 2.085 20 30 EEEDLO N#CCOc1ccc(C[NH2+]CCCNC(=O)[C@H](F)C(F)(F)F)cc1 ZINC001158472229 1319256652 /nfs/dbraw/zinc/25/66/52/1319256652.db2.gz VJLVBPRKKYCDSP-ZDUSSCGKSA-N 1 2 347.312 2.085 20 30 EEEDLO C=CCOC(=O)N[C@H]1CCCN(c2nc(N3CCCC3)c(C)c[nH+]2)C1 ZINC001158907480 1319500625 /nfs/dbraw/zinc/50/06/25/1319500625.db2.gz RYPWXDKEEFAJAX-HNNXBMFYSA-N 1 2 345.447 2.266 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)o1 ZINC001158966979 1319537351 /nfs/dbraw/zinc/53/73/51/1319537351.db2.gz VDQYHGFSCAQNPL-JKSUJKDBSA-N 1 2 335.448 2.387 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)o1 ZINC001158966979 1319537352 /nfs/dbraw/zinc/53/73/52/1319537352.db2.gz VDQYHGFSCAQNPL-JKSUJKDBSA-N 1 2 335.448 2.387 20 30 EEEDLO CC(C)C#CC(=O)NCCC1=CC[N@H+](Cc2cn(C(C)C)nn2)CC1 ZINC001160055267 1320059522 /nfs/dbraw/zinc/05/95/22/1320059522.db2.gz XGANUIHILDFPRT-UHFFFAOYSA-N 1 2 343.475 2.157 20 30 EEEDLO CC(C)C#CC(=O)NCCC1=CC[N@@H+](Cc2cn(C(C)C)nn2)CC1 ZINC001160055267 1320059527 /nfs/dbraw/zinc/05/95/27/1320059527.db2.gz XGANUIHILDFPRT-UHFFFAOYSA-N 1 2 343.475 2.157 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCC1=CC[N@H+](Cc2nonc2C)CC1 ZINC001160940591 1320324775 /nfs/dbraw/zinc/32/47/75/1320324775.db2.gz DNDHGTYBFHZYDK-UONOGXRCSA-N 1 2 332.448 2.475 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCC1=CC[N@@H+](Cc2nonc2C)CC1 ZINC001160940591 1320324781 /nfs/dbraw/zinc/32/47/81/1320324781.db2.gz DNDHGTYBFHZYDK-UONOGXRCSA-N 1 2 332.448 2.475 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCCC1=CC[N@H+](Cc2cc(C)on2)CC1 ZINC001161972460 1320701338 /nfs/dbraw/zinc/70/13/38/1320701338.db2.gz CHNJJWGYYAEDEG-OAHLLOKOSA-N 1 2 333.432 2.213 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCCC1=CC[N@@H+](Cc2cc(C)on2)CC1 ZINC001161972460 1320701340 /nfs/dbraw/zinc/70/13/40/1320701340.db2.gz CHNJJWGYYAEDEG-OAHLLOKOSA-N 1 2 333.432 2.213 20 30 EEEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCn4c(Br)cnc4C3)c12 ZINC001166710393 1321772379 /nfs/dbraw/zinc/77/23/79/1321772379.db2.gz XGYMUTNWVMSKRD-UHFFFAOYSA-N 1 2 343.188 2.414 20 30 EEEDLO COc1ccnc(-c2cc(C[NH+]3CCOCC3)ccc2OC)c1C#N ZINC001206484024 1323508186 /nfs/dbraw/zinc/50/81/86/1323508186.db2.gz WQLXRTGSUNKOGN-UHFFFAOYSA-N 1 2 339.395 2.470 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccc(OC)cc2)C[C@H]1C ZINC001206537394 1323526796 /nfs/dbraw/zinc/52/67/96/1323526796.db2.gz SJGDMCAATSHKLI-RHSMWYFYSA-N 1 2 345.443 2.036 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccc(OC)cc2)C[C@H]1C ZINC001206537394 1323526802 /nfs/dbraw/zinc/52/68/02/1323526802.db2.gz SJGDMCAATSHKLI-RHSMWYFYSA-N 1 2 345.443 2.036 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2cc(OC)no2)C[C@H]1C ZINC001207107748 1323854326 /nfs/dbraw/zinc/85/43/26/1323854326.db2.gz PKTZIHZPGWQRPZ-CZUORRHYSA-N 1 2 333.432 2.388 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)no2)C[C@H]1C ZINC001207107748 1323854330 /nfs/dbraw/zinc/85/43/30/1323854330.db2.gz PKTZIHZPGWQRPZ-CZUORRHYSA-N 1 2 333.432 2.388 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2noc3c2COCC3)C[C@H]1C ZINC001207215407 1323906552 /nfs/dbraw/zinc/90/65/52/1323906552.db2.gz IMPMNGGOQWHCRK-UKRRQHHQSA-N 1 2 333.432 2.040 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2noc3c2COCC3)C[C@H]1C ZINC001207215407 1323906557 /nfs/dbraw/zinc/90/65/57/1323906557.db2.gz IMPMNGGOQWHCRK-UKRRQHHQSA-N 1 2 333.432 2.040 20 30 EEEDLO CC(C)C#CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nc(C(C)C)no2)C1 ZINC001207992262 1324251429 /nfs/dbraw/zinc/25/14/29/1324251429.db2.gz HSJQOEQIIKWTCH-HUUCEWRRSA-N 1 2 332.448 2.494 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2nnc(CC)o2)C[C@H]1C ZINC001208374485 1324460080 /nfs/dbraw/zinc/46/00/80/1324460080.db2.gz KQBTYUPRXJVRKC-RBSFLKMASA-N 1 2 332.448 2.323 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nnc(CC)o2)C[C@H]1C ZINC001208374485 1324460083 /nfs/dbraw/zinc/46/00/83/1324460083.db2.gz KQBTYUPRXJVRKC-RBSFLKMASA-N 1 2 332.448 2.323 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(OCC)s2)C1 ZINC001209345221 1324907633 /nfs/dbraw/zinc/90/76/33/1324907633.db2.gz KZFUSDTWTFPIDD-CYBMUJFWSA-N 1 2 338.477 2.374 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCCOC)C1 ZINC001210087932 1325151067 /nfs/dbraw/zinc/15/10/67/1325151067.db2.gz AVLMGNQEFLNEIB-OUCADQQQSA-N 1 2 347.297 2.394 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCCOC)C1 ZINC001210087932 1325151076 /nfs/dbraw/zinc/15/10/76/1325151076.db2.gz AVLMGNQEFLNEIB-OUCADQQQSA-N 1 2 347.297 2.394 20 30 EEEDLO C[C@](CO)([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC001307810529 1331550993 /nfs/dbraw/zinc/55/09/93/1331550993.db2.gz LIHJWOCOBOKRGC-QGZVFWFLSA-N 1 2 327.340 2.169 20 30 EEEDLO Cn1ncc2c1nc(N[NH+]=Cc1ccc(N3CCCC3)cc1)[nH]c2=O ZINC001324114285 1333611631 /nfs/dbraw/zinc/61/16/31/1333611631.db2.gz KRGQPKQOHZCCKW-UHFFFAOYSA-N 1 2 337.387 2.115 20 30 EEEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@H](COCC)C1 ZINC001341867902 1337302999 /nfs/dbraw/zinc/30/29/99/1337302999.db2.gz GAMWIBAMSCTPEU-OAHLLOKOSA-N 1 2 344.463 2.041 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC001343926750 1337356374 /nfs/dbraw/zinc/35/63/74/1337356374.db2.gz CMQAIOLHOAERHL-OWCLPIDISA-N 1 2 331.464 2.094 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H]2COC[C@@H]2C1 ZINC001343926750 1337356377 /nfs/dbraw/zinc/35/63/77/1337356377.db2.gz CMQAIOLHOAERHL-OWCLPIDISA-N 1 2 331.464 2.094 20 30 EEEDLO N#Cc1ccc(-n2ccc(NC(=O)Cc3c[nH]c[nH+]3)n2)c(Cl)c1 ZINC001632532427 1352598502 /nfs/dbraw/zinc/59/85/02/1352598502.db2.gz JMIPMIUDBFHZRV-UHFFFAOYSA-N 1 2 326.747 2.302 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nc(C)no3)C[C@H]21 ZINC001187605925 1368257101 /nfs/dbraw/zinc/25/71/01/1368257101.db2.gz YQCUYPQKITXGNR-VNQPRFMTSA-N 1 2 330.432 2.165 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nc(C)no3)C[C@H]21 ZINC001187605925 1368257106 /nfs/dbraw/zinc/25/71/06/1368257106.db2.gz YQCUYPQKITXGNR-VNQPRFMTSA-N 1 2 330.432 2.165 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C(C)C)n3)C[C@H]21 ZINC001187707071 1368258988 /nfs/dbraw/zinc/25/89/88/1368258988.db2.gz XNQWFHBEFHXKPB-FUHWJXTLSA-N 1 2 328.460 2.300 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C(C)C)n3)C[C@H]21 ZINC001187707071 1368258991 /nfs/dbraw/zinc/25/89/91/1368258991.db2.gz XNQWFHBEFHXKPB-FUHWJXTLSA-N 1 2 328.460 2.300 20 30 EEEDLO C=CCOCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C3CCCC3)n2)C1 ZINC001189369173 1368349348 /nfs/dbraw/zinc/34/93/48/1368349348.db2.gz ADQQJDSAXDZYNR-GOSISDBHSA-N 1 2 346.475 2.234 20 30 EEEDLO C=CCOCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C3CCCC3)n2)C1 ZINC001189369173 1368349353 /nfs/dbraw/zinc/34/93/53/1368349353.db2.gz ADQQJDSAXDZYNR-GOSISDBHSA-N 1 2 346.475 2.234 20 30 EEEDLO C[C@@H](c1cnccn1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110544032 1368704263 /nfs/dbraw/zinc/70/42/63/1368704263.db2.gz SPEBQNZTRVEAKP-HWMZRRJGSA-N 1 2 326.444 2.309 20 30 EEEDLO C[C@@H](c1cnccn1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110544032 1368704271 /nfs/dbraw/zinc/70/42/71/1368704271.db2.gz SPEBQNZTRVEAKP-HWMZRRJGSA-N 1 2 326.444 2.309 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1COCCN1c1cc(CC)[nH+]c(C)n1 ZINC001111708966 1369092786 /nfs/dbraw/zinc/09/27/86/1369092786.db2.gz UUSUZCOGILKJPU-MRXNPFEDSA-N 1 2 346.475 2.271 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OC)nn1 ZINC001110598622 1369129318 /nfs/dbraw/zinc/12/93/18/1369129318.db2.gz DQVQTKZLANQSTC-OAGGEKHMSA-N 1 2 344.459 2.309 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(OC)nn1 ZINC001110598622 1369129320 /nfs/dbraw/zinc/12/93/20/1369129320.db2.gz DQVQTKZLANQSTC-OAGGEKHMSA-N 1 2 344.459 2.309 20 30 EEEDLO C=CC[C@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)c1ccncc1 ZINC000853746939 1369374443 /nfs/dbraw/zinc/37/44/43/1369374443.db2.gz MKAGHSYOOWIQPC-UXLLHSPISA-N 1 2 332.448 2.107 20 30 EEEDLO C=CC[C@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)c1ccncc1 ZINC000853746939 1369374446 /nfs/dbraw/zinc/37/44/46/1369374446.db2.gz MKAGHSYOOWIQPC-UXLLHSPISA-N 1 2 332.448 2.107 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001069778394 1370256785 /nfs/dbraw/zinc/25/67/85/1370256785.db2.gz TXTYEYOLRIIBEZ-IBGZPJMESA-N 1 2 344.459 2.081 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2CCCCCC2=O)CC[C@@H]1C ZINC001072055478 1370603353 /nfs/dbraw/zinc/60/33/53/1370603353.db2.gz VDRSBEFFDFNRHA-LSDHHAIUSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN2CCCCCC2=O)CC[C@@H]1C ZINC001072055478 1370603360 /nfs/dbraw/zinc/60/33/60/1370603360.db2.gz VDRSBEFFDFNRHA-LSDHHAIUSA-N 1 2 341.883 2.111 20 30 EEEDLO CC(C)(C)CC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1O ZINC001099680108 1371003999 /nfs/dbraw/zinc/00/39/99/1371003999.db2.gz AYSGBGIZEUEAGS-DLBZAZTESA-N 1 2 347.434 2.185 20 30 EEEDLO CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1O ZINC001099680108 1371004006 /nfs/dbraw/zinc/00/40/06/1371004006.db2.gz AYSGBGIZEUEAGS-DLBZAZTESA-N 1 2 347.434 2.185 20 30 EEEDLO C=CCCC(=O)N1CCC(CCNc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001103618210 1371038452 /nfs/dbraw/zinc/03/84/52/1371038452.db2.gz MNYBWCVKLUJDAK-UHFFFAOYSA-N 1 2 346.479 2.253 20 30 EEEDLO CCn1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)n1 ZINC001111742777 1371237358 /nfs/dbraw/zinc/23/73/58/1371237358.db2.gz MLTSAOPXZCITSQ-JXFKEZNVSA-N 1 2 342.487 2.423 20 30 EEEDLO CCn1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)n1 ZINC001111742777 1371237360 /nfs/dbraw/zinc/23/73/60/1371237360.db2.gz MLTSAOPXZCITSQ-JXFKEZNVSA-N 1 2 342.487 2.423 20 30 EEEDLO C=CCC1(O)CCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2CC)CC1 ZINC001121797546 1371924719 /nfs/dbraw/zinc/92/47/19/1371924719.db2.gz XDGOKYBQURALGD-HNNXBMFYSA-N 1 2 333.480 2.362 20 30 EEEDLO C=CCC1(O)CCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2CC)CC1 ZINC001121797546 1371924722 /nfs/dbraw/zinc/92/47/22/1371924722.db2.gz XDGOKYBQURALGD-HNNXBMFYSA-N 1 2 333.480 2.362 20 30 EEEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc3nonc3c1)CC2 ZINC001139222336 1372471808 /nfs/dbraw/zinc/47/18/08/1372471808.db2.gz UBBNCCOQQBUYIV-UHFFFAOYSA-N 1 2 339.399 2.217 20 30 EEEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc3nonc3c1)CC2 ZINC001139222336 1372471845 /nfs/dbraw/zinc/47/18/45/1372471845.db2.gz UBBNCCOQQBUYIV-UHFFFAOYSA-N 1 2 339.399 2.217 20 30 EEEDLO CCOC(=O)C(C)(C)O[NH+]=Cc1ccc(N2CCOCC2)s1 ZINC000835004188 1372581183 /nfs/dbraw/zinc/58/11/83/1372581183.db2.gz OENCWOBMURDVHC-UHFFFAOYSA-N 1 2 326.418 2.277 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2coc(C(N)=O)c2)C1 ZINC001366804926 1374028917 /nfs/dbraw/zinc/02/89/17/1374028917.db2.gz JMOMOHSGUJJYFI-CYBMUJFWSA-N 1 2 339.823 2.058 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2coc(C(N)=O)c2)C1 ZINC001366804926 1374028920 /nfs/dbraw/zinc/02/89/20/1374028920.db2.gz JMOMOHSGUJJYFI-CYBMUJFWSA-N 1 2 339.823 2.058 20 30 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ZINC001108100773 783321946 /nfs/dbraw/zinc/32/19/46/783321946.db2.gz SLQKMLOJGWNZIU-TZMCWYRMSA-N 1 2 338.415 2.022 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)OCc2ccccc2C)C1 ZINC001108101692 783350996 /nfs/dbraw/zinc/35/09/96/783350996.db2.gz OVHMQGYOQBEAHI-XLIONFOSSA-N 1 2 346.471 2.293 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)OCc2ccccc2C)C1 ZINC001108101692 783351007 /nfs/dbraw/zinc/35/10/07/783351007.db2.gz OVHMQGYOQBEAHI-XLIONFOSSA-N 1 2 346.471 2.293 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCCCC[C@@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001088281461 783351888 /nfs/dbraw/zinc/35/18/88/783351888.db2.gz NMYSRGJNODHUSH-UKRRQHHQSA-N 1 2 345.447 2.043 20 30 EEEDLO C=CCOc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(=C)C)CCO2)cc1 ZINC001035421022 784462893 /nfs/dbraw/zinc/46/28/93/784462893.db2.gz SUDQLNAXEITHRJ-GOSISDBHSA-N 1 2 330.428 2.258 20 30 EEEDLO C=CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=C)C)CCO2)cc1 ZINC001035421022 784462899 /nfs/dbraw/zinc/46/28/99/784462899.db2.gz SUDQLNAXEITHRJ-GOSISDBHSA-N 1 2 330.428 2.258 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)n([C@@H](C)CC)n2)C1 ZINC001035423919 784467461 /nfs/dbraw/zinc/46/74/61/784467461.db2.gz MWTBTISYJFXKRN-HOCLYGCPSA-N 1 2 334.464 2.169 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)n([C@@H](C)CC)n2)C1 ZINC001035423919 784467469 /nfs/dbraw/zinc/46/74/69/784467469.db2.gz MWTBTISYJFXKRN-HOCLYGCPSA-N 1 2 334.464 2.169 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2nc(Cl)sc2C)C1 ZINC001035440475 784531318 /nfs/dbraw/zinc/53/13/18/784531318.db2.gz OKIZKSIPSVSOPX-LLVKDONJSA-N 1 2 329.853 2.112 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2nc(Cl)sc2C)C1 ZINC001035440475 784531323 /nfs/dbraw/zinc/53/13/23/784531323.db2.gz OKIZKSIPSVSOPX-LLVKDONJSA-N 1 2 329.853 2.112 20 30 EEEDLO N#Cc1cccc(C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000817188196 784538911 /nfs/dbraw/zinc/53/89/11/784538911.db2.gz HLONZLLKCASKLR-UHFFFAOYSA-N 1 2 337.379 2.142 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(F)c3ccncc23)C1 ZINC001035483338 784565084 /nfs/dbraw/zinc/56/50/84/784565084.db2.gz NFXXSEDTYOTNRP-CQSZACIVSA-N 1 2 343.402 2.381 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(F)c3ccncc23)C1 ZINC001035483338 784565087 /nfs/dbraw/zinc/56/50/87/784565087.db2.gz NFXXSEDTYOTNRP-CQSZACIVSA-N 1 2 343.402 2.381 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(Cl)c2F)C1 ZINC001035487893 784573077 /nfs/dbraw/zinc/57/30/77/784573077.db2.gz DTNIFWAJLQKUQG-LBPRGKRZSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(Cl)c2F)C1 ZINC001035487893 784573079 /nfs/dbraw/zinc/57/30/79/784573079.db2.gz DTNIFWAJLQKUQG-LBPRGKRZSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001035522211 784663553 /nfs/dbraw/zinc/66/35/53/784663553.db2.gz INFCZSXLSBTNPE-IBGZPJMESA-N 1 2 341.455 2.070 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001035522211 784663560 /nfs/dbraw/zinc/66/35/60/784663560.db2.gz INFCZSXLSBTNPE-IBGZPJMESA-N 1 2 341.455 2.070 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC001035527276 784676867 /nfs/dbraw/zinc/67/68/67/784676867.db2.gz VPBNAAXARCVJOR-OAHLLOKOSA-N 1 2 332.444 2.339 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC001035527276 784676868 /nfs/dbraw/zinc/67/68/68/784676868.db2.gz VPBNAAXARCVJOR-OAHLLOKOSA-N 1 2 332.444 2.339 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001035555406 784727210 /nfs/dbraw/zinc/72/72/10/784727210.db2.gz HXKKOUHXUKWIQZ-KRWDZBQOSA-N 1 2 325.412 2.160 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001035555406 784727218 /nfs/dbraw/zinc/72/72/18/784727218.db2.gz HXKKOUHXUKWIQZ-KRWDZBQOSA-N 1 2 325.412 2.160 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(CCC)c(C)s2)C1 ZINC001035600194 784757492 /nfs/dbraw/zinc/75/74/92/784757492.db2.gz MWEAVJKWVWLOAU-INIZCTEOSA-N 1 2 334.485 2.463 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(CCC)c(C)s2)C1 ZINC001035600194 784757497 /nfs/dbraw/zinc/75/74/97/784757497.db2.gz MWEAVJKWVWLOAU-INIZCTEOSA-N 1 2 334.485 2.463 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnc(-c3ccco3)s2)C1 ZINC001035587522 784793158 /nfs/dbraw/zinc/79/31/58/784793158.db2.gz BXVNZYVJFONRST-CYBMUJFWSA-N 1 2 347.440 2.410 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnc(-c3ccco3)s2)C1 ZINC001035587522 784793163 /nfs/dbraw/zinc/79/31/63/784793163.db2.gz BXVNZYVJFONRST-CYBMUJFWSA-N 1 2 347.440 2.410 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cncc3nc[nH]c31)CC2 ZINC001035712748 784998531 /nfs/dbraw/zinc/99/85/31/784998531.db2.gz LLWDQMGJOOKION-UHFFFAOYSA-N 1 2 345.834 2.248 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1coc(OCC)n1)CC2 ZINC001035744225 785008975 /nfs/dbraw/zinc/00/89/75/785008975.db2.gz BHDZLPPNEBXGCO-UHFFFAOYSA-N 1 2 339.823 2.364 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1c3c(nn1C)CCC3)CC2 ZINC001035833715 785252248 /nfs/dbraw/zinc/25/22/48/785252248.db2.gz AWERQUHYKKVCNL-UHFFFAOYSA-N 1 2 348.878 2.199 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](OCC)C3CC3)CC2)C1 ZINC001105708754 786192193 /nfs/dbraw/zinc/19/21/93/786192193.db2.gz XVZOWSXYIQABGK-SFHVURJKSA-N 1 2 336.476 2.069 20 30 EEEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCCCC(C)(C)C)nn2)C1 ZINC001107173968 786221383 /nfs/dbraw/zinc/22/13/83/786221383.db2.gz LAKJGMWAULRTJI-UHFFFAOYSA-N 1 2 345.491 2.381 20 30 EEEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@@H](C)CC(C)(C)C)nn2)C1 ZINC001107213892 786444413 /nfs/dbraw/zinc/44/44/13/786444413.db2.gz KOBNQAINQMEZAF-OAHLLOKOSA-N 1 2 345.491 2.237 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC/C=C\CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107236777 786586156 /nfs/dbraw/zinc/58/61/56/786586156.db2.gz XRASAYHOHXHGDQ-DANTVBBOSA-N 1 2 344.459 2.339 20 30 EEEDLO Cc1ccc(C#N)c(NC/C=C\CNC(=O)CCCn2cc[nH+]c2)n1 ZINC001107237577 786588375 /nfs/dbraw/zinc/58/83/75/786588375.db2.gz PIHVWGXFSWSBLP-IHWYPQMZSA-N 1 2 338.415 2.023 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc(Cl)c2)[C@H](O)C1 ZINC001090593240 787171403 /nfs/dbraw/zinc/17/14/03/787171403.db2.gz JLPGHKQFDPWXLS-UONOGXRCSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(F)cc(Cl)c2)[C@H](O)C1 ZINC001090593240 787171407 /nfs/dbraw/zinc/17/14/07/787171407.db2.gz JLPGHKQFDPWXLS-UONOGXRCSA-N 1 2 347.217 2.397 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccn(CC)n1 ZINC001109627267 805788603 /nfs/dbraw/zinc/78/86/03/805788603.db2.gz JAUBOHPRSGRXPK-SQNIBIBYSA-N 1 2 328.460 2.318 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccn(CC)n1 ZINC001109627267 805788609 /nfs/dbraw/zinc/78/86/09/805788609.db2.gz JAUBOHPRSGRXPK-SQNIBIBYSA-N 1 2 328.460 2.318 20 30 EEEDLO Cc1nc(NC/C=C/CNC(=O)C[C@@H](C)n2cc[nH+]c2)ccc1C#N ZINC001107545643 787569906 /nfs/dbraw/zinc/56/99/06/787569906.db2.gz JWGSNNBWBNZXOC-RDFMZFSFSA-N 1 2 338.415 2.194 20 30 EEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C\CNc1cccc(F)c1C#N ZINC001107549790 787577895 /nfs/dbraw/zinc/57/78/95/787577895.db2.gz RXXQJVUQKDZITD-ZRMMWKCHSA-N 1 2 341.390 2.384 20 30 EEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C\CNc1cccc(F)c1C#N ZINC001107549790 787577900 /nfs/dbraw/zinc/57/79/00/787577900.db2.gz RXXQJVUQKDZITD-ZRMMWKCHSA-N 1 2 341.390 2.384 20 30 EEEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001062243872 787688238 /nfs/dbraw/zinc/68/82/38/787688238.db2.gz MNCURXSHGNUHQW-OAHLLOKOSA-N 1 2 332.448 2.114 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@H](N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001079010289 787985054 /nfs/dbraw/zinc/98/50/54/787985054.db2.gz BZLLFGKCXIOJMW-KRWDZBQOSA-N 1 2 346.475 2.469 20 30 EEEDLO CSCCC(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107722967 788153796 /nfs/dbraw/zinc/15/37/96/788153796.db2.gz ROLKMNGYJWSQKF-SFHVURJKSA-N 1 2 347.484 2.018 20 30 EEEDLO CSCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107722967 788153798 /nfs/dbraw/zinc/15/37/98/788153798.db2.gz ROLKMNGYJWSQKF-SFHVURJKSA-N 1 2 347.484 2.018 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc3c(c2)CCC3)[C@@H](O)C1 ZINC001090805654 788381996 /nfs/dbraw/zinc/38/19/96/788381996.db2.gz OZZLJVXFDWHCRO-ROUUACIJSA-N 1 2 348.874 2.022 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc3c(c2)CCC3)[C@@H](O)C1 ZINC001090805654 788382003 /nfs/dbraw/zinc/38/20/03/788382003.db2.gz OZZLJVXFDWHCRO-ROUUACIJSA-N 1 2 348.874 2.022 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)c3c2CCC3)[C@H](O)C1 ZINC001090837831 788507484 /nfs/dbraw/zinc/50/74/84/788507484.db2.gz YEGOGVKJMUUPNE-QZTJIDSGSA-N 1 2 348.874 2.401 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c3c2CCC3)[C@H](O)C1 ZINC001090837831 788507487 /nfs/dbraw/zinc/50/74/87/788507487.db2.gz YEGOGVKJMUUPNE-QZTJIDSGSA-N 1 2 348.874 2.401 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001077740899 788883048 /nfs/dbraw/zinc/88/30/48/788883048.db2.gz HXQGUXNKXWHESR-ZDUSSCGKSA-N 1 2 334.464 2.150 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001077741932 788894821 /nfs/dbraw/zinc/89/48/21/788894821.db2.gz DXDQELIQYOUTMD-STQMWFEESA-N 1 2 332.448 2.053 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060795436 788981440 /nfs/dbraw/zinc/98/14/40/788981440.db2.gz KQFABDLLROHJBZ-SHTZXODSSA-N 1 2 332.448 2.100 20 30 EEEDLO CC1(C)C[C@H]1C(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107876123 788995710 /nfs/dbraw/zinc/99/57/10/788995710.db2.gz HIQYMJAVENQPOF-PXNSSMCTSA-N 1 2 341.455 2.311 20 30 EEEDLO CC1(C)C[C@H]1C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107876123 788995713 /nfs/dbraw/zinc/99/57/13/788995713.db2.gz HIQYMJAVENQPOF-PXNSSMCTSA-N 1 2 341.455 2.311 20 30 EEEDLO C=CCc1cc(OCC)cc(C[N@H+](CC)CCS(C)(=O)=O)c1O ZINC000156968778 789350221 /nfs/dbraw/zinc/35/02/21/789350221.db2.gz OZVOBHUFXMWFNY-UHFFFAOYSA-N 1 2 341.473 2.386 20 30 EEEDLO C=CCc1cc(OCC)cc(C[N@@H+](CC)CCS(C)(=O)=O)c1O ZINC000156968778 789350223 /nfs/dbraw/zinc/35/02/23/789350223.db2.gz OZVOBHUFXMWFNY-UHFFFAOYSA-N 1 2 341.473 2.386 20 30 EEEDLO C=CCn1c(C)nn(CN2CCN(c3cc(C)cc[nH+]3)CC2)c1=S ZINC000165876479 789582217 /nfs/dbraw/zinc/58/22/17/789582217.db2.gz SZBGQEIQDCZDHX-UHFFFAOYSA-N 1 2 344.488 2.392 20 30 EEEDLO C=CCCOCCCCC(=O)NCC[NH2+][C@H](C)c1nnc(CC)o1 ZINC001127129574 789589007 /nfs/dbraw/zinc/58/90/07/789589007.db2.gz VDKYJOAZVRHHOH-CQSZACIVSA-N 1 2 338.452 2.162 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cn(C)nc1C ZINC001032423335 789682387 /nfs/dbraw/zinc/68/23/87/789682387.db2.gz IIBVLBRJGWQKRJ-GJZGRUSLSA-N 1 2 336.867 2.292 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cn(C)nc1C ZINC001032423335 789682393 /nfs/dbraw/zinc/68/23/93/789682393.db2.gz IIBVLBRJGWQKRJ-GJZGRUSLSA-N 1 2 336.867 2.292 20 30 EEEDLO C=CCOCC(=O)N[C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001109792124 805995681 /nfs/dbraw/zinc/99/56/81/805995681.db2.gz PNIPHTISNBEFDB-HNNXBMFYSA-N 1 2 330.432 2.172 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)CCC(=O)c2ccc(OCC)cc2)C1 ZINC000923593196 789830383 /nfs/dbraw/zinc/83/03/83/789830383.db2.gz KRVXAEHNFUQKGQ-KRWDZBQOSA-N 1 2 342.439 2.262 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)CCC(=O)c2ccc(OCC)cc2)C1 ZINC000923593196 789830387 /nfs/dbraw/zinc/83/03/87/789830387.db2.gz KRVXAEHNFUQKGQ-KRWDZBQOSA-N 1 2 342.439 2.262 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC2(F)F)c1 ZINC001032467494 789863629 /nfs/dbraw/zinc/86/36/29/789863629.db2.gz MXCONLCMPOVXCV-HRCADAONSA-N 1 2 331.366 2.389 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC2(F)F)c1 ZINC001032467494 789863633 /nfs/dbraw/zinc/86/36/33/789863633.db2.gz MXCONLCMPOVXCV-HRCADAONSA-N 1 2 331.366 2.389 20 30 EEEDLO CC[C@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC001149206894 790034320 /nfs/dbraw/zinc/03/43/20/790034320.db2.gz IDSCYMJIGSMZPO-YOEHRIQHSA-N 1 2 347.434 2.451 20 30 EEEDLO CC[C@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC001149206894 790034329 /nfs/dbraw/zinc/03/43/29/790034329.db2.gz IDSCYMJIGSMZPO-YOEHRIQHSA-N 1 2 347.434 2.451 20 30 EEEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](c1ccc(OC)cc1)c1ccccn1 ZINC000846163022 790067813 /nfs/dbraw/zinc/06/78/13/790067813.db2.gz KDACPHIKSYJDCP-SFHVURJKSA-N 1 2 346.452 2.370 20 30 EEEDLO CCOC(=O)CC[N@H+](CC(=O)OCC)[C@H](C)Cc1cccc(C#N)c1 ZINC001171220964 790128156 /nfs/dbraw/zinc/12/81/56/790128156.db2.gz GGTISGKSWSQRCO-OAHLLOKOSA-N 1 2 346.427 2.308 20 30 EEEDLO CCOC(=O)CC[N@@H+](CC(=O)OCC)[C@H](C)Cc1cccc(C#N)c1 ZINC001171220964 790128158 /nfs/dbraw/zinc/12/81/58/790128158.db2.gz GGTISGKSWSQRCO-OAHLLOKOSA-N 1 2 346.427 2.308 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@@H](C)Cc1cccc(C#N)c1 ZINC001171224980 790159720 /nfs/dbraw/zinc/15/97/20/790159720.db2.gz WISKFOUFMBLNKS-XDKFSHSGSA-N 1 2 328.412 2.142 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@H+]2[C@@H](C)Cc1cccc(C#N)c1 ZINC001171224980 790159723 /nfs/dbraw/zinc/15/97/23/790159723.db2.gz WISKFOUFMBLNKS-XDKFSHSGSA-N 1 2 328.412 2.142 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001063060065 790168553 /nfs/dbraw/zinc/16/85/53/790168553.db2.gz NTGLBHKAZYUARR-OAHLLOKOSA-N 1 2 325.416 2.123 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(C)(C)F)CC2(CCOCC2)C1 ZINC001089918437 790215399 /nfs/dbraw/zinc/21/53/99/790215399.db2.gz MFNGIHSGAKBNHD-CYBMUJFWSA-N 1 2 332.847 2.474 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(C)(C)F)CC2(CCOCC2)C1 ZINC001089918437 790215402 /nfs/dbraw/zinc/21/54/02/790215402.db2.gz MFNGIHSGAKBNHD-CYBMUJFWSA-N 1 2 332.847 2.474 20 30 EEEDLO C=C(C)CCC(=O)NC[C@]1(C)C[N@H+](Cc2cccnc2C)CCO1 ZINC001107974144 791600512 /nfs/dbraw/zinc/60/05/12/791600512.db2.gz LOLFGDWSNMQNQP-LJQANCHMSA-N 1 2 331.460 2.453 20 30 EEEDLO C=C(C)CCC(=O)NC[C@]1(C)C[N@@H+](Cc2cccnc2C)CCO1 ZINC001107974144 791600516 /nfs/dbraw/zinc/60/05/16/791600516.db2.gz LOLFGDWSNMQNQP-LJQANCHMSA-N 1 2 331.460 2.453 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(C(C)C)o1)C2 ZINC001147374237 791805145 /nfs/dbraw/zinc/80/51/45/791805145.db2.gz JRYWLKKJLZGWOI-UHFFFAOYSA-N 1 2 344.459 2.421 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nnc(C(C)C)o1)C2 ZINC001147374237 791805147 /nfs/dbraw/zinc/80/51/47/791805147.db2.gz JRYWLKKJLZGWOI-UHFFFAOYSA-N 1 2 344.459 2.421 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC1(NC(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001063896148 791899846 /nfs/dbraw/zinc/89/98/46/791899846.db2.gz BHTQDOXSDMOCDA-UHFFFAOYSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC1(NC(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001063896148 791899852 /nfs/dbraw/zinc/89/98/52/791899852.db2.gz BHTQDOXSDMOCDA-UHFFFAOYSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nc(CC)no1)C2 ZINC001148095416 792144602 /nfs/dbraw/zinc/14/46/02/792144602.db2.gz HVJLUMLFNWZRHJ-KGLIPLIRSA-N 1 2 332.448 2.125 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nc(CC)no1)C2 ZINC001148095416 792144609 /nfs/dbraw/zinc/14/46/09/792144609.db2.gz HVJLUMLFNWZRHJ-KGLIPLIRSA-N 1 2 332.448 2.125 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nncn1C)C2 ZINC001148146267 792187248 /nfs/dbraw/zinc/18/72/48/792187248.db2.gz CGYJSLGKKSMNQS-LSDHHAIUSA-N 1 2 331.464 2.013 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nncn1C)C2 ZINC001148146267 792187251 /nfs/dbraw/zinc/18/72/51/792187251.db2.gz CGYJSLGKKSMNQS-LSDHHAIUSA-N 1 2 331.464 2.013 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncnn1C(C)C)C2 ZINC001148146241 792187710 /nfs/dbraw/zinc/18/77/10/792187710.db2.gz BFHGLVZSPRDXPM-MRXNPFEDSA-N 1 2 345.491 2.496 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncnn1C(C)C)C2 ZINC001148146241 792187716 /nfs/dbraw/zinc/18/77/16/792187716.db2.gz BFHGLVZSPRDXPM-MRXNPFEDSA-N 1 2 345.491 2.496 20 30 EEEDLO C=CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ncnn1C(C)C)C2 ZINC001148193689 792208166 /nfs/dbraw/zinc/20/81/66/792208166.db2.gz DBTJONUSMJCNSO-UHFFFAOYSA-N 1 2 331.464 2.250 20 30 EEEDLO C=CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ncnn1C(C)C)C2 ZINC001148193689 792208176 /nfs/dbraw/zinc/20/81/76/792208176.db2.gz DBTJONUSMJCNSO-UHFFFAOYSA-N 1 2 331.464 2.250 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001064107727 792418375 /nfs/dbraw/zinc/41/83/75/792418375.db2.gz QTIRHJLHMURQOB-RBSFLKMASA-N 1 2 344.459 2.271 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001064107727 792418383 /nfs/dbraw/zinc/41/83/83/792418383.db2.gz QTIRHJLHMURQOB-RBSFLKMASA-N 1 2 344.459 2.271 20 30 EEEDLO CN(CCCCCCNc1ccc(C#N)cn1)C(=O)Cn1cc[nH+]c1 ZINC001091740595 792607783 /nfs/dbraw/zinc/60/77/83/792607783.db2.gz XRRDTULWCBQOHG-UHFFFAOYSA-N 1 2 340.431 2.281 20 30 EEEDLO CN(CCCCCCNc1ncccc1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001091748712 792720438 /nfs/dbraw/zinc/72/04/38/792720438.db2.gz KJFMOUDXMPUAQA-UHFFFAOYSA-N 1 2 340.431 2.350 20 30 EEEDLO C=CCCOCC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC001148893383 792764105 /nfs/dbraw/zinc/76/41/05/792764105.db2.gz FUPKRPMZMMMVAJ-UHFFFAOYSA-N 1 2 345.443 2.179 20 30 EEEDLO C=CCCOCC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC001148893383 792764113 /nfs/dbraw/zinc/76/41/13/792764113.db2.gz FUPKRPMZMMMVAJ-UHFFFAOYSA-N 1 2 345.443 2.179 20 30 EEEDLO C#CC[C@H](NC(=O)N[C@H](CC)C[NH+]1CCOCC1)c1ccccc1 ZINC000921666140 792904758 /nfs/dbraw/zinc/90/47/58/792904758.db2.gz PLIGSHAOSKMITG-MSOLQXFVSA-N 1 2 329.444 2.161 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1cc(C)on1 ZINC001089228428 793502867 /nfs/dbraw/zinc/50/28/67/793502867.db2.gz BPLWMRBIOWMCIB-KSZLIROESA-N 1 2 347.459 2.387 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cc(C)on1 ZINC001089228428 793502870 /nfs/dbraw/zinc/50/28/70/793502870.db2.gz BPLWMRBIOWMCIB-KSZLIROESA-N 1 2 347.459 2.387 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NCC1CC(Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001092239588 793712664 /nfs/dbraw/zinc/71/26/64/793712664.db2.gz JSMABOKXBCHPIO-HLIUYOAVSA-N 1 2 342.443 2.007 20 30 EEEDLO C[C@H]1C[C@@H](Nc2ccc(C#N)nc2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001064834224 793829567 /nfs/dbraw/zinc/82/95/67/793829567.db2.gz BJUJLWQRJKUDGH-KBPBESRZSA-N 1 2 338.415 2.101 20 30 EEEDLO C[C@H]1C[C@@H](Nc2ccc(C#N)nc2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001064834224 793829575 /nfs/dbraw/zinc/82/95/75/793829575.db2.gz BJUJLWQRJKUDGH-KBPBESRZSA-N 1 2 338.415 2.101 20 30 EEEDLO C[C@H]1C[C@@H](Nc2ncccc2C#N)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001064835450 793849386 /nfs/dbraw/zinc/84/93/86/793849386.db2.gz JKTMOFZJODPBSE-ZFWWWQNUSA-N 1 2 338.415 2.101 20 30 EEEDLO C[C@H]1C[C@@H](Nc2ncccc2C#N)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001064835450 793849390 /nfs/dbraw/zinc/84/93/90/793849390.db2.gz JKTMOFZJODPBSE-ZFWWWQNUSA-N 1 2 338.415 2.101 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1occc1CC)c1nccn12 ZINC001092393925 793893736 /nfs/dbraw/zinc/89/37/36/793893736.db2.gz NHOKYYANOVSFAN-CQSZACIVSA-N 1 2 326.400 2.110 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](F)c1ccccc1)c1nccn12 ZINC001092399269 793899278 /nfs/dbraw/zinc/89/92/78/793899278.db2.gz BZANFKZHLXCZEP-HOTGVXAUSA-N 1 2 340.402 2.352 20 30 EEEDLO 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C#Cc1ccc(C(=O)NC2CC[NH+](Cc3ncc(CC)o3)CC2)nc1 ZINC001004004926 800767116 /nfs/dbraw/zinc/76/71/16/800767116.db2.gz RKPAIUXDGMKMQL-UHFFFAOYSA-N 1 2 338.411 2.008 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001066283676 800877794 /nfs/dbraw/zinc/87/77/94/800877794.db2.gz XHALSFDWRDHWSA-MRXNPFEDSA-N 1 2 346.475 2.373 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)C(=O)c1ccns1 ZINC001085624963 800922180 /nfs/dbraw/zinc/92/21/80/800922180.db2.gz CCYONJZUAQDFSD-HNNXBMFYSA-N 1 2 326.425 2.361 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1)C(=O)c1ccns1 ZINC001085624963 800922183 /nfs/dbraw/zinc/92/21/83/800922183.db2.gz CCYONJZUAQDFSD-HNNXBMFYSA-N 1 2 326.425 2.361 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1nccnc1C ZINC001085641735 800956163 /nfs/dbraw/zinc/95/61/63/800956163.db2.gz VSRNFEIYAMSCDS-INIZCTEOSA-N 1 2 339.443 2.119 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1nccnc1C ZINC001085641735 800956168 /nfs/dbraw/zinc/95/61/68/800956168.db2.gz 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DUKPBKSGWKYLCG-IRXDYDNUSA-N 1 2 339.439 2.400 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001108222507 801713324 /nfs/dbraw/zinc/71/33/24/801713324.db2.gz DOINOUUIICRMDK-LJQANCHMSA-N 1 2 329.444 2.274 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001108222507 801713330 /nfs/dbraw/zinc/71/33/30/801713330.db2.gz DOINOUUIICRMDK-LJQANCHMSA-N 1 2 329.444 2.274 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccc3cc[nH]c32)C1 ZINC001108234461 801986809 /nfs/dbraw/zinc/98/68/09/801986809.db2.gz LFNMZWJTQQTZBP-IBGZPJMESA-N 1 2 325.412 2.012 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccc3cc[nH]c32)C1 ZINC001108234461 801986812 /nfs/dbraw/zinc/98/68/12/801986812.db2.gz LFNMZWJTQQTZBP-IBGZPJMESA-N 1 2 325.412 2.012 20 30 EEEDLO CCc1[nH]nc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c1Cl ZINC001004458058 802122296 /nfs/dbraw/zinc/12/22/96/802122296.db2.gz NUPOHGAZGJZTFS-AWEZNQCLSA-N 1 2 349.866 2.466 20 30 EEEDLO CCc1[nH]nc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c1Cl ZINC001004458058 802122298 /nfs/dbraw/zinc/12/22/98/802122298.db2.gz NUPOHGAZGJZTFS-AWEZNQCLSA-N 1 2 349.866 2.466 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2nncc3ccccc32)CC1 ZINC001004482720 802205149 /nfs/dbraw/zinc/20/51/49/802205149.db2.gz DWEKEJZSHHHXJE-SFHVURJKSA-N 1 2 349.438 2.470 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2nncc3ccccc32)CC1 ZINC001004482720 802205151 /nfs/dbraw/zinc/20/51/51/802205151.db2.gz DWEKEJZSHHHXJE-SFHVURJKSA-N 1 2 349.438 2.470 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(OCC)s2)C1 ZINC001185064435 802310782 /nfs/dbraw/zinc/31/07/82/802310782.db2.gz OEGLNYTVQXGPEM-CHWSQXEVSA-N 1 2 338.477 2.230 20 30 EEEDLO CCn1nc(C)c(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c1C ZINC001004585114 802422915 /nfs/dbraw/zinc/42/29/15/802422915.db2.gz WJKLUFRJRANRKZ-KRWDZBQOSA-N 1 2 343.475 2.360 20 30 EEEDLO CCn1nc(C)c(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c1C ZINC001004585114 802422919 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ZINC001108297356 803238252 /nfs/dbraw/zinc/23/82/52/803238252.db2.gz CXZXBJAZKLKDQP-LJQANCHMSA-N 1 2 342.443 2.350 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CCCC[C@@H](C)CC)CC2=O)C1 ZINC001108549717 804038044 /nfs/dbraw/zinc/03/80/44/804038044.db2.gz OLPANMIPFQUTNC-JKSUJKDBSA-N 1 2 335.492 2.180 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC001108721419 804423146 /nfs/dbraw/zinc/42/31/46/804423146.db2.gz GPCDJBJESIGSCU-UONOGXRCSA-N 1 2 326.404 2.026 20 30 EEEDLO COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)(C)C)C3)n1 ZINC001109259685 805205428 /nfs/dbraw/zinc/20/54/28/805205428.db2.gz NNMVKAFMMNUBBK-IKGGRYGDSA-N 1 2 341.455 2.361 20 30 EEEDLO COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)(C)C)C3)n1 ZINC001109259685 805205433 /nfs/dbraw/zinc/20/54/33/805205433.db2.gz NNMVKAFMMNUBBK-IKGGRYGDSA-N 1 2 341.455 2.361 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sc(C)cc1C)C2 ZINC001109339721 805322471 /nfs/dbraw/zinc/32/24/71/805322471.db2.gz GGFNRRCFNJYYKQ-ILXRZTDVSA-N 1 2 347.484 2.002 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sc(C)cc1C)C2 ZINC001109339721 805322480 /nfs/dbraw/zinc/32/24/80/805322480.db2.gz GGFNRRCFNJYYKQ-ILXRZTDVSA-N 1 2 347.484 2.002 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CCCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001109343981 805332054 /nfs/dbraw/zinc/33/20/54/805332054.db2.gz IULWQJILINGFIQ-CVEARBPZSA-N 1 2 332.448 2.465 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[NH+](CCCCC(F)(F)F)CC2)c1 ZINC001112750293 807125038 /nfs/dbraw/zinc/12/50/38/807125038.db2.gz XEOKRKBPTBUBLA-UHFFFAOYSA-N 1 2 328.338 2.377 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H]1CN(C)c1[nH+]cnc2c1cnn2C ZINC001112805940 807285040 /nfs/dbraw/zinc/28/50/40/807285040.db2.gz NFRNCLNFFYSRGL-AWEZNQCLSA-N 1 2 342.447 2.147 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC001112814308 807329382 /nfs/dbraw/zinc/32/93/82/807329382.db2.gz NAYJGPZVDBFFFO-MJGOQNOKSA-N 1 2 332.419 2.284 20 30 EEEDLO C=C(C)CCC(=O)N1CC[NH+](C[C@@H](O)COc2cccc(C)c2)CC1 ZINC001112904124 807570300 /nfs/dbraw/zinc/57/03/00/807570300.db2.gz GSWMYZBBZPQPMS-GOSISDBHSA-N 1 2 346.471 2.235 20 30 EEEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccccc1SCC#N ZINC000790126189 808452639 /nfs/dbraw/zinc/45/26/39/808452639.db2.gz VMGIDRLUPRZWBE-UHFFFAOYSA-N 1 2 347.484 2.485 20 30 EEEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccccc1SCC#N ZINC000790126189 808452644 /nfs/dbraw/zinc/45/26/44/808452644.db2.gz VMGIDRLUPRZWBE-UHFFFAOYSA-N 1 2 347.484 2.485 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC001113229086 808491019 /nfs/dbraw/zinc/49/10/19/808491019.db2.gz CNNADJKAMQXELI-UONOGXRCSA-N 1 2 328.416 2.325 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc3c(c2)[C@H](C)CO3)CC1 ZINC001113239552 808521527 /nfs/dbraw/zinc/52/15/27/808521527.db2.gz HODLXQDACHJHFU-OAHLLOKOSA-N 1 2 330.428 2.143 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[NH+](C[C@H](O)c2cccc(OC)c2)CC1 ZINC001113390537 808875341 /nfs/dbraw/zinc/87/53/41/808875341.db2.gz HVRHOXYCPUZFFC-SFHVURJKSA-N 1 2 346.471 2.475 20 30 EEEDLO C#C[C@H](CCC)NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000791063630 809056930 /nfs/dbraw/zinc/05/69/30/809056930.db2.gz BTHWXYZUWZLUIJ-QGZVFWFLSA-N 1 2 329.444 2.195 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)C23CC(c4ccccc4)(C2)C3)CC1 ZINC001113694954 809562706 /nfs/dbraw/zinc/56/27/06/809562706.db2.gz DNAMELVTGNFTNH-UHFFFAOYSA-N 1 2 340.467 2.455 20 30 EEEDLO COC[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114038405 810226942 /nfs/dbraw/zinc/22/69/42/810226942.db2.gz PZDQTHFMKWLXNY-KBEGMRNHSA-N 1 2 346.858 2.020 20 30 EEEDLO COC[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114038405 810226946 /nfs/dbraw/zinc/22/69/46/810226946.db2.gz PZDQTHFMKWLXNY-KBEGMRNHSA-N 1 2 346.858 2.020 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CN(c2[nH+]cnc3c2cnn3C)CC[C@@H]1C ZINC001114052024 810243034 /nfs/dbraw/zinc/24/30/34/810243034.db2.gz GHMSSVZBUJNLDW-ZFWWWQNUSA-N 1 2 342.447 2.051 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CN(c3cc[nH+]c(C)n3)CC[C@@H]2C)CCC1 ZINC001114039910 810249806 /nfs/dbraw/zinc/24/98/06/810249806.db2.gz ORPUSRYHWHPHEM-GOEBONIOSA-N 1 2 326.444 2.310 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CN3C(=O)C[C@H]3c3ccccc3)C2)nc1 ZINC000793592557 810424211 /nfs/dbraw/zinc/42/42/11/810424211.db2.gz RZIHJHAZXUWNEC-ROUUACIJSA-N 1 2 348.406 2.337 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CN3C(=O)C[C@H]3c3ccccc3)C2)nc1 ZINC000793592557 810424216 /nfs/dbraw/zinc/42/42/16/810424216.db2.gz RZIHJHAZXUWNEC-ROUUACIJSA-N 1 2 348.406 2.337 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(CCC(C)C)no3)C[C@H]21 ZINC001114201804 810580922 /nfs/dbraw/zinc/58/09/22/810580922.db2.gz VUWONNARZZSLAY-QWHZDKJVSA-N 1 2 344.459 2.008 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(CCC(C)C)no3)C[C@H]21 ZINC001114201804 810580925 /nfs/dbraw/zinc/58/09/25/810580925.db2.gz VUWONNARZZSLAY-QWHZDKJVSA-N 1 2 344.459 2.008 20 30 EEEDLO C=CCn1cccc1C(=O)NCC[NH2+]Cc1nc2c(o1)CCCC2 ZINC001129502265 810866942 /nfs/dbraw/zinc/86/69/42/810866942.db2.gz APPGEVUHSFLSHS-UHFFFAOYSA-N 1 2 328.416 2.061 20 30 EEEDLO C#CCCCS(=O)(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000805083318 811145342 /nfs/dbraw/zinc/14/53/42/811145342.db2.gz SUTISHJOENDQFQ-UHFFFAOYSA-N 1 2 335.473 2.142 20 30 EEEDLO C=C(C)CCC(=O)NCc1nc([C@@H]2C[N@H+](CCF)C[C@H]2C2CC2)n[nH]1 ZINC001130171907 811267388 /nfs/dbraw/zinc/26/73/88/811267388.db2.gz FOZHQYPFWFXAHI-LSDHHAIUSA-N 1 2 349.454 2.172 20 30 EEEDLO C=C(C)CCC(=O)NCc1nc([C@@H]2C[N@@H+](CCF)C[C@H]2C2CC2)n[nH]1 ZINC001130171907 811267393 /nfs/dbraw/zinc/26/73/93/811267393.db2.gz FOZHQYPFWFXAHI-LSDHHAIUSA-N 1 2 349.454 2.172 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnn2c1nc(C)cc2C ZINC001439369968 1092103340 /nfs/dbraw/zinc/10/33/40/1092103340.db2.gz ZAWSBOKRVLLBGH-LBPRGKRZSA-N 1 2 335.839 2.149 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnn2c1nc(C)cc2C ZINC001439369968 1092103343 /nfs/dbraw/zinc/10/33/43/1092103343.db2.gz ZAWSBOKRVLLBGH-LBPRGKRZSA-N 1 2 335.839 2.149 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CNC(=O)CC1CCCCC1 ZINC001439410139 1092176601 /nfs/dbraw/zinc/17/66/01/1092176601.db2.gz YFDCGMBRASVBRZ-AWEZNQCLSA-N 1 2 343.899 2.262 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CNC(=O)CC1CCCCC1 ZINC001439410139 1092176602 /nfs/dbraw/zinc/17/66/02/1092176602.db2.gz YFDCGMBRASVBRZ-AWEZNQCLSA-N 1 2 343.899 2.262 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@](C)(CNC(=O)c2ccn[nH]2)C1 ZINC001439936490 1093029658 /nfs/dbraw/zinc/02/96/58/1093029658.db2.gz MSGQKCVYCXLUMV-AWEZNQCLSA-N 1 2 341.253 2.150 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccn[nH]2)C1 ZINC001439936490 1093029667 /nfs/dbraw/zinc/02/96/67/1093029667.db2.gz MSGQKCVYCXLUMV-AWEZNQCLSA-N 1 2 341.253 2.150 20 30 EEEDLO C[C@@H](NC(=O)C(C)(F)F)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001441126485 1094451571 /nfs/dbraw/zinc/45/15/71/1094451571.db2.gz HPEWQPNDCUCDKC-SNVBAGLBSA-N 1 2 325.334 2.289 20 30 EEEDLO C[C@H](C#N)C(=O)NCC[N@H+](C)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC001442382557 1096705527 /nfs/dbraw/zinc/70/55/27/1096705527.db2.gz UGJQBHVQDQVRTC-MNOVXSKESA-N 1 2 333.417 2.067 20 30 EEEDLO C[C@H](C#N)C(=O)NCC[N@@H+](C)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC001442382557 1096705533 /nfs/dbraw/zinc/70/55/33/1096705533.db2.gz UGJQBHVQDQVRTC-MNOVXSKESA-N 1 2 333.417 2.067 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1nn(C)c2ccccc12)C1CC1 ZINC001442990659 1097410132 /nfs/dbraw/zinc/41/01/32/1097410132.db2.gz AHVGEJYDPBDGGB-UHFFFAOYSA-N 1 2 346.862 2.449 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1nn(C)c2ccccc12)C1CC1 ZINC001442990659 1097410135 /nfs/dbraw/zinc/41/01/35/1097410135.db2.gz AHVGEJYDPBDGGB-UHFFFAOYSA-N 1 2 346.862 2.449 20 30 EEEDLO CC[C@H](SC)C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001443586030 1098079114 /nfs/dbraw/zinc/07/91/14/1098079114.db2.gz ZSGLYHAVXWTDIG-INIZCTEOSA-N 1 2 335.448 2.387 20 30 EEEDLO C[C@@H](OCC1CC1)C(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001444975837 1100101129 /nfs/dbraw/zinc/10/11/29/1100101129.db2.gz RIQCULKDTBKDCP-OAHLLOKOSA-N 1 2 329.444 2.264 20 30 EEEDLO C[C@@H](OCC1CC1)C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001444975837 1100101134 /nfs/dbraw/zinc/10/11/34/1100101134.db2.gz RIQCULKDTBKDCP-OAHLLOKOSA-N 1 2 329.444 2.264 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(-n2ccnc2)nc1 ZINC001505974532 1114313373 /nfs/dbraw/zinc/31/33/73/1114313373.db2.gz QNZIYHKAAHYJGF-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(-n2ccnc2)nc1 ZINC001505974532 1114313375 /nfs/dbraw/zinc/31/33/75/1114313375.db2.gz QNZIYHKAAHYJGF-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO CSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000052658849 214139390 /nfs/dbraw/zinc/13/93/90/214139390.db2.gz PICMDDQEXCXYDF-ZDUSSCGKSA-N 1 2 348.472 2.039 20 30 EEEDLO CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000052658849 214139391 /nfs/dbraw/zinc/13/93/91/214139391.db2.gz PICMDDQEXCXYDF-ZDUSSCGKSA-N 1 2 348.472 2.039 20 30 EEEDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C#N)CC2)c([N+](=O)[O-])c1 ZINC000057880571 214461823 /nfs/dbraw/zinc/46/18/23/214461823.db2.gz MTNAVVHFBOPVMT-LLVKDONJSA-N 1 2 332.360 2.166 20 30 EEEDLO COc1ccc2c(c1)CCN(C([O-])=[NH+][C@@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000329639507 539779117 /nfs/dbraw/zinc/77/91/17/539779117.db2.gz ZHFPVZKZROFPOJ-OAHLLOKOSA-N 1 2 340.427 2.290 20 30 EEEDLO COc1ccc2c(c1)CCN(C([O-])=[NH+][C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000329639507 539779122 /nfs/dbraw/zinc/77/91/22/539779122.db2.gz ZHFPVZKZROFPOJ-OAHLLOKOSA-N 1 2 340.427 2.290 20 30 EEEDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000329843389 539784949 /nfs/dbraw/zinc/78/49/49/539784949.db2.gz XKIJMDHZKVOOSF-OKILXGFUSA-N 1 2 330.363 2.289 20 30 EEEDLO Cn1c2ccc(NC(=O)C(=O)NCCCCC#N)cc2[nH+]c1C1CC1 ZINC000089947090 237024725 /nfs/dbraw/zinc/02/47/25/237024725.db2.gz LMWOCIZKMFAIMS-UHFFFAOYSA-N 1 2 339.399 2.199 20 30 EEEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2cc(Cl)ccc2C#N)CC1 ZINC000072290386 216124210 /nfs/dbraw/zinc/12/42/10/216124210.db2.gz SBCDHLDMGZJMNM-UHFFFAOYSA-N 1 2 341.864 2.133 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)CC1(C#N)CCC1 ZINC000349587810 238192707 /nfs/dbraw/zinc/19/27/07/238192707.db2.gz OIMXBHDNQXPNEC-MRXNPFEDSA-N 1 2 347.484 2.216 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)CC1(C#N)CCC1 ZINC000349587810 238192709 /nfs/dbraw/zinc/19/27/09/238192709.db2.gz OIMXBHDNQXPNEC-MRXNPFEDSA-N 1 2 347.484 2.216 20 30 EEEDLO C[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)Cn1cc[nH+]c1 ZINC000447508509 242281539 /nfs/dbraw/zinc/28/15/39/242281539.db2.gz KRQNFNDQUUVDEN-ZDUSSCGKSA-N 1 2 335.367 2.476 20 30 EEEDLO COCCOC1C[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000459461825 245130844 /nfs/dbraw/zinc/13/08/44/245130844.db2.gz KIDJGLCTEHLHBX-UHFFFAOYSA-N 1 2 340.427 2.311 20 30 EEEDLO C#C[C@@H](CC)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000491675548 246105616 /nfs/dbraw/zinc/10/56/16/246105616.db2.gz UONNKKAWXOHMAS-HOCLYGCPSA-N 1 2 326.400 2.229 20 30 EEEDLO C#C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000491698331 246115774 /nfs/dbraw/zinc/11/57/74/246115774.db2.gz ANEQVAVAHCJLJF-ROUUACIJSA-N 1 2 330.403 2.260 20 30 EEEDLO C#C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000491698331 246115779 /nfs/dbraw/zinc/11/57/79/246115779.db2.gz ANEQVAVAHCJLJF-ROUUACIJSA-N 1 2 330.403 2.260 20 30 EEEDLO N#Cc1cccc(NCc2ccccc2OCC[NH+]2CCOCC2)n1 ZINC000267530479 256066543 /nfs/dbraw/zinc/06/65/43/256066543.db2.gz KLHQZYUBDXUOPI-UHFFFAOYSA-N 1 2 338.411 2.276 20 30 EEEDLO Cn1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000119640923 221366148 /nfs/dbraw/zinc/36/61/48/221366148.db2.gz KQOKBMOIJBLLPQ-UHFFFAOYSA-N 1 2 337.383 2.467 20 30 EEEDLO COC(=O)CC[N@H+](Cc1ccc(Cl)cc1C#N)CC(OC)OC ZINC000187466225 533413492 /nfs/dbraw/zinc/41/34/92/533413492.db2.gz VAIUDJVLYMRHCH-UHFFFAOYSA-N 1 2 340.807 2.196 20 30 EEEDLO COC(=O)CC[N@@H+](Cc1ccc(Cl)cc1C#N)CC(OC)OC ZINC000187466225 533413497 /nfs/dbraw/zinc/41/34/97/533413497.db2.gz VAIUDJVLYMRHCH-UHFFFAOYSA-N 1 2 340.807 2.196 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ccncc1Cl ZINC001032003606 782004046 /nfs/dbraw/zinc/00/40/46/782004046.db2.gz ZUFBUAZKJKUUCA-UHFFFAOYSA-N 1 2 339.826 2.448 20 30 EEEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000374297566 154038908 /nfs/dbraw/zinc/03/89/08/154038908.db2.gz RMQXYPZLRLKQLI-DLBZAZTESA-N 1 2 326.400 2.005 20 30 EEEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000374297566 154038912 /nfs/dbraw/zinc/03/89/12/154038912.db2.gz RMQXYPZLRLKQLI-DLBZAZTESA-N 1 2 326.400 2.005 20 30 EEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000377318996 154139800 /nfs/dbraw/zinc/13/98/00/154139800.db2.gz XZEXDONQAKXPEQ-GOSISDBHSA-N 1 2 348.406 2.108 20 30 EEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000377318996 154139806 /nfs/dbraw/zinc/13/98/06/154139806.db2.gz XZEXDONQAKXPEQ-GOSISDBHSA-N 1 2 348.406 2.108 20 30 EEEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000377402574 154184520 /nfs/dbraw/zinc/18/45/20/154184520.db2.gz VJSWUFZKKIWBML-GOSISDBHSA-N 1 2 341.436 2.164 20 30 EEEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000377402574 154184526 /nfs/dbraw/zinc/18/45/26/154184526.db2.gz VJSWUFZKKIWBML-GOSISDBHSA-N 1 2 341.436 2.164 20 30 EEEDLO COC(=O)c1cc(C[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)oc1C ZINC000193231000 160179817 /nfs/dbraw/zinc/17/98/17/160179817.db2.gz SMDFHHPLPFJPNV-UHFFFAOYSA-N 1 2 341.367 2.317 20 30 EEEDLO COC(=O)c1cc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)oc1C ZINC000193231000 160179818 /nfs/dbraw/zinc/17/98/18/160179818.db2.gz SMDFHHPLPFJPNV-UHFFFAOYSA-N 1 2 341.367 2.317 20 30 EEEDLO COC(=O)[C@H]([C@@H](C)O)[N@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000351958833 162001647 /nfs/dbraw/zinc/00/16/47/162001647.db2.gz OYEFRQNKUHRTIW-BEFAXECRSA-N 1 2 338.407 2.483 20 30 EEEDLO COC(=O)[C@H]([C@@H](C)O)[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000351958833 162001650 /nfs/dbraw/zinc/00/16/50/162001650.db2.gz OYEFRQNKUHRTIW-BEFAXECRSA-N 1 2 338.407 2.483 20 30 EEEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000355317570 163143472 /nfs/dbraw/zinc/14/34/72/163143472.db2.gz QDVKOCFUJHIZTE-UHFFFAOYSA-N 1 2 335.367 2.495 20 30 EEEDLO COc1ccc([C@H](NC(=O)c2cc(C#N)cn2C)c2[nH+]ccn2C)cc1 ZINC000080975417 264003293 /nfs/dbraw/zinc/00/32/93/264003293.db2.gz SJUDCQZQPYSJQB-KRWDZBQOSA-N 1 2 349.394 2.158 20 30 EEEDLO COC(=O)c1cccc(C[NH+]2CCC(NC(=O)C(C)C)CC2)c1C#N ZINC000533775388 270022849 /nfs/dbraw/zinc/02/28/49/270022849.db2.gz KANWFLARPSCYNI-UHFFFAOYSA-N 1 2 343.427 2.081 20 30 EEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000281010467 268088432 /nfs/dbraw/zinc/08/84/32/268088432.db2.gz VAQQLLFBLYWFSZ-DLBZAZTESA-N 1 2 333.395 2.370 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1F ZINC000292597514 268192015 /nfs/dbraw/zinc/19/20/15/268192015.db2.gz MWLQYTRMBAWKKF-CQSZACIVSA-N 1 2 334.376 2.336 20 30 EEEDLO CN1C(=O)C[C@H]([NH2+]Cc2nc(C#N)cs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000565803991 319215678 /nfs/dbraw/zinc/21/56/78/319215678.db2.gz YTEWYSFEMCCZRA-BBRMVZONSA-N 1 2 348.378 2.355 20 30 EEEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000576512749 320178236 /nfs/dbraw/zinc/17/82/36/320178236.db2.gz BFSNJIBGKHTFSZ-HNNXBMFYSA-N 1 2 342.443 2.125 20 30 EEEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)[C@H](C)NC(=O)OC(C)(C)C ZINC000496405614 447769574 /nfs/dbraw/zinc/76/95/74/447769574.db2.gz JKSRXQUZHQJBOM-NSHDSACASA-N 1 2 345.407 2.363 20 30 EEEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)ncc1C#N ZINC000603116822 450079525 /nfs/dbraw/zinc/07/95/25/450079525.db2.gz AFMIUXPLSBCIJG-UHFFFAOYSA-N 1 2 336.399 2.006 20 30 EEEDLO N#Cc1c[nH]nc1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000601639270 450133062 /nfs/dbraw/zinc/13/30/62/450133062.db2.gz MTSNWVQNVJJYCR-HNNXBMFYSA-N 1 2 327.363 2.414 20 30 EEEDLO N#Cc1c[nH]nc1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000601639270 450133064 /nfs/dbraw/zinc/13/30/64/450133064.db2.gz MTSNWVQNVJJYCR-HNNXBMFYSA-N 1 2 327.363 2.414 20 30 EEEDLO Cc1noc(CN2CC[NH+]([C@@H](C)C(=O)NCC3CCCCC3)CC2)n1 ZINC000328843597 465145165 /nfs/dbraw/zinc/14/51/65/465145165.db2.gz UZRXNPMLUQPXGH-AWEZNQCLSA-N 1 2 349.479 2.421 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1CCc3nncn3C1)C2 ZINC000328885241 465157843 /nfs/dbraw/zinc/15/78/43/465157843.db2.gz ZAABOPFHPFKUEZ-OLZOCXBDSA-N 1 2 342.447 2.306 20 30 EEEDLO C[C@@H]1OCC[C@@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000328915512 465166849 /nfs/dbraw/zinc/16/68/49/465166849.db2.gz JSSIXLNCOPESQN-CQDKDKBSSA-N 1 2 332.379 2.330 20 30 EEEDLO CSc1cccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)c1 ZINC000328933934 465172326 /nfs/dbraw/zinc/17/23/26/465172326.db2.gz CAXFKZMWBCMYOB-KGLIPLIRSA-N 1 2 334.445 2.299 20 30 EEEDLO CSc1cccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)c1 ZINC000328933934 465172332 /nfs/dbraw/zinc/17/23/32/465172332.db2.gz CAXFKZMWBCMYOB-KGLIPLIRSA-N 1 2 334.445 2.299 20 30 EEEDLO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000329007414 465201630 /nfs/dbraw/zinc/20/16/30/465201630.db2.gz YHNWKKYHDLCRQM-AITUJVMLSA-N 1 2 344.459 2.425 20 30 EEEDLO Cn1nccc1[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000329007414 465201634 /nfs/dbraw/zinc/20/16/34/465201634.db2.gz YHNWKKYHDLCRQM-AITUJVMLSA-N 1 2 344.459 2.425 20 30 EEEDLO O=C(C[N@@H+]1CCO[C@@]2(CCCOC2)C1)NCCc1ccc(F)cc1 ZINC000329082739 465227425 /nfs/dbraw/zinc/22/74/25/465227425.db2.gz SLDIGSFQQUPCSV-SFHVURJKSA-N 1 2 336.407 2.206 20 30 EEEDLO O=C(C[N@H+]1CCO[C@@]2(CCCOC2)C1)NCCc1ccc(F)cc1 ZINC000329082739 465227429 /nfs/dbraw/zinc/22/74/29/465227429.db2.gz SLDIGSFQQUPCSV-SFHVURJKSA-N 1 2 336.407 2.206 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(CC)cc2)C1=O ZINC000337235661 465259586 /nfs/dbraw/zinc/25/95/86/465259586.db2.gz XPURMHJQUSQHOX-QAPCUYQASA-N 1 2 343.471 2.145 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(CC)cc2)C1=O ZINC000337235661 465259592 /nfs/dbraw/zinc/25/95/92/465259592.db2.gz XPURMHJQUSQHOX-QAPCUYQASA-N 1 2 343.471 2.145 20 30 EEEDLO C[C@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000297945088 465276001 /nfs/dbraw/zinc/27/60/01/465276001.db2.gz SGLZPERKULBCJZ-CYBMUJFWSA-N 1 2 341.864 2.339 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(Cl)c3cccnc23)CC1 ZINC000112920674 462553987 /nfs/dbraw/zinc/55/39/87/462553987.db2.gz FAXWGIFQBUDMJZ-UHFFFAOYSA-N 1 2 343.814 2.044 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 ZINC000045293758 462574401 /nfs/dbraw/zinc/57/44/01/462574401.db2.gz XYYBHJSXXYFTMY-UHFFFAOYSA-N 1 2 340.339 2.017 20 30 EEEDLO COc1ccc([C@H](NC(=O)N(C)C[C@@H](C)C#N)c2[nH+]ccn2C)cc1 ZINC000045312270 462576520 /nfs/dbraw/zinc/57/65/20/462576520.db2.gz XLDMSSVZDAGLDE-BBRMVZONSA-N 1 2 341.415 2.319 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C)CC1 ZINC000491146462 468307902 /nfs/dbraw/zinc/30/79/02/468307902.db2.gz OFNLTKSBNQBBAD-UHFFFAOYSA-N 1 2 341.484 2.171 20 30 EEEDLO Cc1cc(C(N)=[NH+]OCC(=O)N2CCc3sccc3C2)ccc1F ZINC000063457676 462646015 /nfs/dbraw/zinc/64/60/15/462646015.db2.gz ZZAJVFSKVLTTOH-UHFFFAOYSA-N 1 2 347.415 2.417 20 30 EEEDLO Cc1cccc([C@H](CNC(=O)N(C)C[C@H](C)C#N)[NH+]2CCOCC2)c1 ZINC000046249511 462664215 /nfs/dbraw/zinc/66/42/15/462664215.db2.gz YLHIONKIXHFXKZ-AEFFLSMTSA-N 1 2 344.459 2.169 20 30 EEEDLO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000153616934 462669703 /nfs/dbraw/zinc/66/97/03/462669703.db2.gz LNSWAVWROHUNAI-SFHVURJKSA-N 1 2 337.379 2.335 20 30 EEEDLO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000153616934 462669709 /nfs/dbraw/zinc/66/97/09/462669709.db2.gz LNSWAVWROHUNAI-SFHVURJKSA-N 1 2 337.379 2.335 20 30 EEEDLO CC[N@@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@@H](C)C#N ZINC000064248851 462690944 /nfs/dbraw/zinc/69/09/44/462690944.db2.gz AFCBSXOKAQCHJB-IWUURBKTSA-N 1 2 346.475 2.263 20 30 EEEDLO CC[N@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@@H](C)C#N ZINC000064248851 462690949 /nfs/dbraw/zinc/69/09/49/462690949.db2.gz AFCBSXOKAQCHJB-IWUURBKTSA-N 1 2 346.475 2.263 20 30 EEEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCc2cscn2)CC1 ZINC000590702301 468312798 /nfs/dbraw/zinc/31/27/98/468312798.db2.gz LMQVBFYXYRIHTC-UHFFFAOYSA-N 1 2 329.429 2.245 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)CC1 ZINC000064442251 462703496 /nfs/dbraw/zinc/70/34/96/462703496.db2.gz OOVXQMGLZBHNOI-UHFFFAOYSA-N 1 2 338.451 2.306 20 30 EEEDLO CCOC(=O)CC1CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000130367493 462751719 /nfs/dbraw/zinc/75/17/19/462751719.db2.gz CRXZCUVBCOBVQB-UHFFFAOYSA-N 1 2 347.415 2.372 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089970049 462757904 /nfs/dbraw/zinc/75/79/04/462757904.db2.gz KLVHSWHZMHMEKF-NSHDSACASA-N 1 2 341.333 2.274 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1c[nH]nc1-c1ccccc1 ZINC000154752684 462805503 /nfs/dbraw/zinc/80/55/03/462805503.db2.gz NPJSEIQUKYQYQY-UHFFFAOYSA-N 1 2 339.443 2.125 20 30 EEEDLO C=CCCC[NH+]1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000117870760 462815274 /nfs/dbraw/zinc/81/52/74/462815274.db2.gz OZAYSRLCHFZEBY-UHFFFAOYSA-N 1 2 330.400 2.237 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076182110 462819334 /nfs/dbraw/zinc/81/93/34/462819334.db2.gz ULMKIZUSYLPACZ-AOOOYVTPSA-N 1 2 345.287 2.421 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076182110 462819337 /nfs/dbraw/zinc/81/93/37/462819337.db2.gz ULMKIZUSYLPACZ-AOOOYVTPSA-N 1 2 345.287 2.421 20 30 EEEDLO CC(=O)NC1CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000091068238 462828345 /nfs/dbraw/zinc/82/83/45/462828345.db2.gz LVSHEWJSZQALRQ-UHFFFAOYSA-N 1 2 337.427 2.153 20 30 EEEDLO C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000048160932 462867399 /nfs/dbraw/zinc/86/73/99/462867399.db2.gz VIMVGLJBKRAFIM-ZDUSSCGKSA-N 1 2 327.388 2.009 20 30 EEEDLO C#CC[N@@H+](CCCOc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066538116 462901963 /nfs/dbraw/zinc/90/19/63/462901963.db2.gz JOOVWQKBZOCKBK-OAHLLOKOSA-N 1 2 341.860 2.231 20 30 EEEDLO C#CC[N@H+](CCCOc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066538116 462901965 /nfs/dbraw/zinc/90/19/65/462901965.db2.gz JOOVWQKBZOCKBK-OAHLLOKOSA-N 1 2 341.860 2.231 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000155705668 462930780 /nfs/dbraw/zinc/93/07/80/462930780.db2.gz QKAODCGKEQMIOP-CYBMUJFWSA-N 1 2 336.374 2.070 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000155705668 462930784 /nfs/dbraw/zinc/93/07/84/462930784.db2.gz QKAODCGKEQMIOP-CYBMUJFWSA-N 1 2 336.374 2.070 20 30 EEEDLO Cc1ncc(C[N@@H+](C)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)s1 ZINC000077397837 462980122 /nfs/dbraw/zinc/98/01/22/462980122.db2.gz LEPIDBGSKZTEIU-HNNXBMFYSA-N 1 2 340.408 2.087 20 30 EEEDLO Cc1ncc(C[N@H+](C)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)s1 ZINC000077397837 462980125 /nfs/dbraw/zinc/98/01/25/462980125.db2.gz LEPIDBGSKZTEIU-HNNXBMFYSA-N 1 2 340.408 2.087 20 30 EEEDLO C=CCOc1ccc(C[N@H+](CC)CCS(C)(=O)=O)cc1OC ZINC000093816095 463049982 /nfs/dbraw/zinc/04/99/82/463049982.db2.gz RTGGJKSHAVKGIZ-UHFFFAOYSA-N 1 2 327.446 2.127 20 30 EEEDLO C=CCOc1ccc(C[N@@H+](CC)CCS(C)(=O)=O)cc1OC ZINC000093816095 463049987 /nfs/dbraw/zinc/04/99/87/463049987.db2.gz RTGGJKSHAVKGIZ-UHFFFAOYSA-N 1 2 327.446 2.127 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 ZINC000023436761 463067582 /nfs/dbraw/zinc/06/75/82/463067582.db2.gz LCJJQRYDEJTVSF-UHFFFAOYSA-N 1 2 330.391 2.388 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N(C)Cc2ccccc2C)cs1 ZINC000121046759 463069456 /nfs/dbraw/zinc/06/94/56/463069456.db2.gz FQLUYOGLECQOGT-UHFFFAOYSA-N 1 2 346.456 2.250 20 30 EEEDLO CC(C)N(C(=O)[C@@H](C)O[NH+]=C(N)c1ccc2c(c1)CCO2)C(C)C ZINC000158201130 463215470 /nfs/dbraw/zinc/21/54/70/463215470.db2.gz VLJSQOPUGZKSLM-CYBMUJFWSA-N 1 2 333.432 2.292 20 30 EEEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000028708682 463231016 /nfs/dbraw/zinc/23/10/16/463231016.db2.gz CARNJHDQYPDTDA-FQEVSTJZSA-N 1 2 346.434 2.486 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000069341210 463232810 /nfs/dbraw/zinc/23/28/10/463232810.db2.gz DCMLCTFKTYHUMM-FUHWJXTLSA-N 1 2 332.444 2.157 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/c1c(F)cccc1F ZINC000069369944 463235960 /nfs/dbraw/zinc/23/59/60/463235960.db2.gz VFYRIJZOEVPNAQ-AATRIKPKSA-N 1 2 349.381 2.052 20 30 EEEDLO CCC[C@H](C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000568558551 468355817 /nfs/dbraw/zinc/35/58/17/468355817.db2.gz ZXACLSGSOVKAQS-GDBMZVCRSA-N 1 2 332.423 2.145 20 30 EEEDLO CCCCCNC(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000124756827 463460843 /nfs/dbraw/zinc/46/08/43/463460843.db2.gz LSMXEZNFKHNTRO-GOSISDBHSA-N 1 2 328.460 2.175 20 30 EEEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000071921311 463474366 /nfs/dbraw/zinc/47/43/66/463474366.db2.gz AMTDIDQDPUHVNA-LSDHHAIUSA-N 1 2 335.448 2.135 20 30 EEEDLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000071921311 463474372 /nfs/dbraw/zinc/47/43/72/463474372.db2.gz AMTDIDQDPUHVNA-LSDHHAIUSA-N 1 2 335.448 2.135 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000329742054 465420990 /nfs/dbraw/zinc/42/09/90/465420990.db2.gz WHOIHOACXIBLDM-WQVCFCJDSA-N 1 2 330.432 2.215 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000329742054 465421006 /nfs/dbraw/zinc/42/10/06/465421006.db2.gz WHOIHOACXIBLDM-WQVCFCJDSA-N 1 2 330.432 2.215 20 30 EEEDLO N#CCC[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000151414459 463526654 /nfs/dbraw/zinc/52/66/54/463526654.db2.gz CAHLHHWBSLAMCL-ROUUACIJSA-N 1 2 342.443 2.148 20 30 EEEDLO COCC[N@H+](CCC#N)C[C@H](O)COc1cccc2ccccc21 ZINC000072690380 463533764 /nfs/dbraw/zinc/53/37/64/463533764.db2.gz CKODQYNIVWIQOZ-KRWDZBQOSA-N 1 2 328.412 2.442 20 30 EEEDLO COCC[N@@H+](CCC#N)C[C@H](O)COc1cccc2ccccc21 ZINC000072690380 463533769 /nfs/dbraw/zinc/53/37/69/463533769.db2.gz CKODQYNIVWIQOZ-KRWDZBQOSA-N 1 2 328.412 2.442 20 30 EEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O)c1C ZINC000126106517 463605656 /nfs/dbraw/zinc/60/56/56/463605656.db2.gz JQAGGWAREJLTSZ-IZHWHUGBSA-N 1 2 349.500 2.249 20 30 EEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O)c1C ZINC000126106517 463605657 /nfs/dbraw/zinc/60/56/57/463605657.db2.gz JQAGGWAREJLTSZ-IZHWHUGBSA-N 1 2 349.500 2.249 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N(C)[C@H](C)CC(C)C)cs1 ZINC000177476696 463715129 /nfs/dbraw/zinc/71/51/29/463715129.db2.gz DUUMCNYEFPGYBQ-LLVKDONJSA-N 1 2 326.466 2.176 20 30 EEEDLO COC1(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000276709346 463726569 /nfs/dbraw/zinc/72/65/69/463726569.db2.gz QKYKWWJOJGVRMH-UHFFFAOYSA-N 1 2 327.428 2.162 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c(Br)c1 ZINC000185191981 463774114 /nfs/dbraw/zinc/77/41/14/463774114.db2.gz FISGQXOSQKONIF-HNNXBMFYSA-N 1 2 337.217 2.312 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)c(Br)c1 ZINC000185191981 463774120 /nfs/dbraw/zinc/77/41/20/463774120.db2.gz FISGQXOSQKONIF-HNNXBMFYSA-N 1 2 337.217 2.312 20 30 EEEDLO C=C(C)Cn1c(-c2ccc(C)o2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000283650130 463960241 /nfs/dbraw/zinc/96/02/41/463960241.db2.gz PNVDFOCJSLZGRW-UHFFFAOYSA-N 1 2 345.447 2.191 20 30 EEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)CCCC#N)c1ccccc1Cl ZINC000171979222 463961792 /nfs/dbraw/zinc/96/17/92/463961792.db2.gz KARXLKKDUAKPJL-AWEZNQCLSA-N 1 2 329.853 2.166 20 30 EEEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc([S@@](C)=O)cc1 ZINC000178800587 463977836 /nfs/dbraw/zinc/97/78/36/463977836.db2.gz YHTDYPRULRNJSW-HSZRJFAPSA-N 1 2 347.465 2.428 20 30 EEEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc([S@@](C)=O)cc1 ZINC000178800587 463977843 /nfs/dbraw/zinc/97/78/43/463977843.db2.gz YHTDYPRULRNJSW-HSZRJFAPSA-N 1 2 347.465 2.428 20 30 EEEDLO CCN(C(=O)CO[NH+]=C(N)[C@H]1CCCO1)[C@H](C)c1ccc(F)cc1 ZINC000283890973 464031865 /nfs/dbraw/zinc/03/18/65/464031865.db2.gz CYOZKDFANPQTSD-IUODEOHRSA-N 1 2 337.395 2.203 20 30 EEEDLO COc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)cc1C#N ZINC000179195586 464079402 /nfs/dbraw/zinc/07/94/02/464079402.db2.gz BLPHLOLFMNNUFN-UHFFFAOYSA-N 1 2 349.434 2.454 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)cc1O ZINC000291614185 464158001 /nfs/dbraw/zinc/15/80/01/464158001.db2.gz RFRMHKDWQJDSJC-UHFFFAOYSA-N 1 2 344.440 2.360 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188503329 464297280 /nfs/dbraw/zinc/29/72/80/464297280.db2.gz GZFVUJNGLZUFCJ-CQSZACIVSA-N 1 2 336.395 2.178 20 30 EEEDLO Cc1cccnc1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000264415843 464316507 /nfs/dbraw/zinc/31/65/07/464316507.db2.gz MQGMNGKIKMDICY-UHFFFAOYSA-N 1 2 349.438 2.289 20 30 EEEDLO CNS(=O)(=O)c1cccc2c1CC[N@H+](Cc1ccc(C#N)cc1)C2 ZINC000284743471 464318541 /nfs/dbraw/zinc/31/85/41/464318541.db2.gz LAPFTLILXOSNLI-UHFFFAOYSA-N 1 2 341.436 2.025 20 30 EEEDLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC000284743471 464318547 /nfs/dbraw/zinc/31/85/47/464318547.db2.gz LAPFTLILXOSNLI-UHFFFAOYSA-N 1 2 341.436 2.025 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(SC)cc2)C1=O ZINC000281201873 464368231 /nfs/dbraw/zinc/36/82/31/464368231.db2.gz CLQIRJJVAMNZGG-BBRMVZONSA-N 1 2 347.484 2.454 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(SC)cc2)C1=O ZINC000281201873 464368235 /nfs/dbraw/zinc/36/82/35/464368235.db2.gz CLQIRJJVAMNZGG-BBRMVZONSA-N 1 2 347.484 2.454 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C(=O)N(CC)CC)c2ccccc2)C1=O ZINC000281235089 464381879 /nfs/dbraw/zinc/38/18/79/464381879.db2.gz FRCHAFVUAPWWJL-ROUUACIJSA-N 1 2 343.471 2.315 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C(=O)N(CC)CC)c2ccccc2)C1=O ZINC000281235089 464381884 /nfs/dbraw/zinc/38/18/84/464381884.db2.gz FRCHAFVUAPWWJL-ROUUACIJSA-N 1 2 343.471 2.315 20 30 EEEDLO C=CCOCC[N@@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000293726960 464418758 /nfs/dbraw/zinc/41/87/58/464418758.db2.gz GFGXYBBNWSLMLS-ZDUSSCGKSA-N 1 2 327.222 2.110 20 30 EEEDLO C=CCOCC[N@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000293726960 464418764 /nfs/dbraw/zinc/41/87/64/464418764.db2.gz GFGXYBBNWSLMLS-ZDUSSCGKSA-N 1 2 327.222 2.110 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000293471786 464406384 /nfs/dbraw/zinc/40/63/84/464406384.db2.gz XKPUDWWOJIUYGU-RBUKOAKNSA-N 1 2 338.407 2.308 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000293471786 464406390 /nfs/dbraw/zinc/40/63/90/464406390.db2.gz XKPUDWWOJIUYGU-RBUKOAKNSA-N 1 2 338.407 2.308 20 30 EEEDLO C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000265322217 464517168 /nfs/dbraw/zinc/51/71/68/464517168.db2.gz NWXVRVCIZFLGPT-CABCVRRESA-N 1 2 345.443 2.099 20 30 EEEDLO C=CCC[C@@H](C(=O)NC[C@H](C)[NH+]1CCN(C)CC1)c1ccccc1 ZINC000189503359 464521682 /nfs/dbraw/zinc/52/16/82/464521682.db2.gz BBHIMYLKDIRXNW-PKOBYXMFSA-N 1 2 329.488 2.489 20 30 EEEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H](CO)O1 ZINC000190106365 464597603 /nfs/dbraw/zinc/59/76/03/464597603.db2.gz PMHJFFVAMYFUFT-IUODEOHRSA-N 1 2 329.318 2.018 20 30 EEEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H](CO)O1 ZINC000190106365 464597611 /nfs/dbraw/zinc/59/76/11/464597611.db2.gz PMHJFFVAMYFUFT-IUODEOHRSA-N 1 2 329.318 2.018 20 30 EEEDLO N#CC1(CCC[N@H+]2CCNC(=O)[C@H]2c2ccccc2)CCOCC1 ZINC000282112602 464700828 /nfs/dbraw/zinc/70/08/28/464700828.db2.gz XCQHNGYKMASDJG-QGZVFWFLSA-N 1 2 327.428 2.260 20 30 EEEDLO N#CC1(CCC[N@@H+]2CCNC(=O)[C@H]2c2ccccc2)CCOCC1 ZINC000282112602 464700835 /nfs/dbraw/zinc/70/08/35/464700835.db2.gz XCQHNGYKMASDJG-QGZVFWFLSA-N 1 2 327.428 2.260 20 30 EEEDLO C=C(C)CN(C)C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000182844421 464741728 /nfs/dbraw/zinc/74/17/28/464741728.db2.gz HCWSJUHBFYDWNL-SFHVURJKSA-N 1 2 331.460 2.147 20 30 EEEDLO C=CCn1c(-c2ccccc2F)nnc1N(C)CC[NH+]1CCOCC1 ZINC000282296027 464768238 /nfs/dbraw/zinc/76/82/38/464768238.db2.gz OFYTVHNKLNCFHB-UHFFFAOYSA-N 1 2 345.422 2.039 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2Cc2cc(F)ccc2C#N)O1 ZINC000282552170 464862530 /nfs/dbraw/zinc/86/25/30/464862530.db2.gz XGEUWYOCBJGRAF-QYHDQYMBSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2Cc2cc(F)ccc2C#N)O1 ZINC000282552170 464862536 /nfs/dbraw/zinc/86/25/36/464862536.db2.gz XGEUWYOCBJGRAF-QYHDQYMBSA-N 1 2 332.375 2.381 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000184577673 465000102 /nfs/dbraw/zinc/00/01/02/465000102.db2.gz CBTTZUMFBJNANZ-OAHLLOKOSA-N 1 2 334.489 2.022 20 30 EEEDLO C#CC[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccccc1 ZINC000286698317 465008476 /nfs/dbraw/zinc/00/84/76/465008476.db2.gz LKUDKXCPCZPEDX-WDSOQIARSA-N 1 2 341.455 2.256 20 30 EEEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCOCC2(CCC2)C1 ZINC000329525055 465361519 /nfs/dbraw/zinc/36/15/19/465361519.db2.gz QUHKZTYBBZVNFS-UHFFFAOYSA-N 1 2 332.448 2.178 20 30 EEEDLO CCO[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C12CCC2 ZINC000329582191 465377495 /nfs/dbraw/zinc/37/74/95/465377495.db2.gz AJAODWJOBHDNOY-VBNZEHGJSA-N 1 2 332.448 2.461 20 30 EEEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000356501230 465420296 /nfs/dbraw/zinc/42/02/96/465420296.db2.gz ZUEBAPSJGBOWRP-UHFFFAOYSA-N 1 2 337.445 2.338 20 30 EEEDLO CN(C(=O)CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C1CCCCC1 ZINC000329778164 465431305 /nfs/dbraw/zinc/43/13/05/465431305.db2.gz PVPVVMBTDLRLJL-UHFFFAOYSA-N 1 2 347.463 2.294 20 30 EEEDLO CN(C(=O)CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C1CCCCC1 ZINC000329778164 465431312 /nfs/dbraw/zinc/43/13/12/465431312.db2.gz PVPVVMBTDLRLJL-UHFFFAOYSA-N 1 2 347.463 2.294 20 30 EEEDLO C[C@H](C(=O)NCC(C)(C)C#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000359645449 465475895 /nfs/dbraw/zinc/47/58/95/465475895.db2.gz HGNSMNJAEAROBQ-CQSZACIVSA-N 1 2 332.423 2.002 20 30 EEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@@]2(CCCOC2)O1 ZINC000330097253 465532306 /nfs/dbraw/zinc/53/23/06/465532306.db2.gz ANZLUZLVBZKLEN-FZKQIMNGSA-N 1 2 348.399 2.273 20 30 EEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@@]2(CCCOC2)O1 ZINC000330097253 465532312 /nfs/dbraw/zinc/53/23/12/465532312.db2.gz ANZLUZLVBZKLEN-FZKQIMNGSA-N 1 2 348.399 2.273 20 30 EEEDLO CCOc1ccc(CN(C)C(=O)C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352489578 465533585 /nfs/dbraw/zinc/53/35/85/465533585.db2.gz BOYMVKAEIBQSLS-UHFFFAOYSA-N 1 2 333.407 2.371 20 30 EEEDLO CC[C@H](C(=O)OC)N1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000352722556 465552426 /nfs/dbraw/zinc/55/24/26/465552426.db2.gz AAXOVKHIIMBLNM-QGZVFWFLSA-N 1 2 334.847 2.261 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCO[C@H](c2ccccc2)C1 ZINC000330169830 465556629 /nfs/dbraw/zinc/55/66/29/465556629.db2.gz BOQDVCGJKWWMKF-CVEARBPZSA-N 1 2 326.400 2.185 20 30 EEEDLO C[C@@H]1COCC[C@@H]1NC([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000330338039 465620309 /nfs/dbraw/zinc/62/03/09/465620309.db2.gz UVDLZJJXJDNDTA-MCIONIFRSA-N 1 2 334.464 2.424 20 30 EEEDLO C[C@@H]1COCC[C@@H]1[NH+]=C([O-])N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000330338039 465620317 /nfs/dbraw/zinc/62/03/17/465620317.db2.gz UVDLZJJXJDNDTA-MCIONIFRSA-N 1 2 334.464 2.424 20 30 EEEDLO COc1ccc(C[NH2+][C@H](C)c2nncn2C)cc1OCCCC#N ZINC000356910351 465620486 /nfs/dbraw/zinc/62/04/86/465620486.db2.gz CWZQUDGOTHKXKL-CYBMUJFWSA-N 1 2 329.404 2.357 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N[C@H](C)c2cccs2)cs1 ZINC000299222699 465653645 /nfs/dbraw/zinc/65/36/45/465653645.db2.gz UKLCQUIPFRKBII-SECBINFHSA-N 1 2 338.458 2.222 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000353163205 465686409 /nfs/dbraw/zinc/68/64/09/465686409.db2.gz CAKXEYFMNNZQPT-SCLBCKFNSA-N 1 2 331.416 2.030 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000353163205 465686414 /nfs/dbraw/zinc/68/64/14/465686414.db2.gz CAKXEYFMNNZQPT-SCLBCKFNSA-N 1 2 331.416 2.030 20 30 EEEDLO Cc1nc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)c(Br)s1 ZINC000330702222 465769432 /nfs/dbraw/zinc/76/94/32/465769432.db2.gz JWBZDLANDCNFBU-QMMMGPOBSA-N 1 2 348.266 2.239 20 30 EEEDLO N#CC[C@H](CC(=O)NCC1([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000357153872 465816374 /nfs/dbraw/zinc/81/63/74/465816374.db2.gz VRBUUYPQBZKVCQ-QGZVFWFLSA-N 1 2 327.428 2.055 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc(SCC#N)c1 ZINC000345437385 465866783 /nfs/dbraw/zinc/86/67/83/465866783.db2.gz WNKWGCLDNKTUCZ-CQSZACIVSA-N 1 2 333.457 2.095 20 30 EEEDLO CC[C@](C)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)C(=O)OC ZINC000299719384 465867478 /nfs/dbraw/zinc/86/74/78/465867478.db2.gz SASVMLYIROIHQO-KRWDZBQOSA-N 1 2 349.456 2.368 20 30 EEEDLO COC(C)(C)C[C@H](C)NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000331195080 465975681 /nfs/dbraw/zinc/97/56/81/465975681.db2.gz NAZASPKWMJCMJX-GZBFAFLISA-N 1 2 338.452 2.347 20 30 EEEDLO CC(=O)Nc1cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)ccc1F ZINC000331353638 466044988 /nfs/dbraw/zinc/04/49/88/466044988.db2.gz PCTHEXLTUSYZOT-UHFFFAOYSA-N 1 2 337.395 2.200 20 30 EEEDLO N#CC1(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CCOCC1 ZINC000331893246 466294082 /nfs/dbraw/zinc/29/40/82/466294082.db2.gz JFLVMXHTTGPQPP-UHFFFAOYSA-N 1 2 330.432 2.222 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000347332802 466572387 /nfs/dbraw/zinc/57/23/87/466572387.db2.gz YNEYAUMQXFYQKU-MRXNPFEDSA-N 1 2 328.416 2.305 20 30 EEEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NS(=O)(=O)[C@H](C)C#N)c(C)c1 ZINC000416439387 466733788 /nfs/dbraw/zinc/73/37/88/466733788.db2.gz BVFAMWSXTGTEQY-GDBMZVCRSA-N 1 2 332.429 2.073 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)cc1F ZINC000365271281 466763306 /nfs/dbraw/zinc/76/33/06/466763306.db2.gz UNBWJWVNCSLTJH-INIZCTEOSA-N 1 2 333.432 2.237 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)N2CCSCC2)cc1F ZINC000365271281 466763310 /nfs/dbraw/zinc/76/33/10/466763310.db2.gz UNBWJWVNCSLTJH-INIZCTEOSA-N 1 2 333.432 2.237 20 30 EEEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cs1 ZINC000411192172 466780011 /nfs/dbraw/zinc/78/00/11/466780011.db2.gz QSMBHKQPVICVKS-UHFFFAOYSA-N 1 2 342.424 2.124 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cn4ccsc4n3)C2)nc1 ZINC000370728843 466980972 /nfs/dbraw/zinc/98/09/72/466980972.db2.gz DTFJYIYQXJUISN-AWEZNQCLSA-N 1 2 325.397 2.316 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cn4ccsc4n3)C2)nc1 ZINC000370728843 466980975 /nfs/dbraw/zinc/98/09/75/466980975.db2.gz DTFJYIYQXJUISN-AWEZNQCLSA-N 1 2 325.397 2.316 20 30 EEEDLO CCN1CCN(c2c(C#N)cccc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000425265142 467090590 /nfs/dbraw/zinc/09/05/90/467090590.db2.gz ZBDLIUWHPFXESR-CQSZACIVSA-N 1 2 326.360 2.073 20 30 EEEDLO N#Cc1cnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC000413028055 467157787 /nfs/dbraw/zinc/15/77/87/467157787.db2.gz NXUHGGWFRASXFN-MRXNPFEDSA-N 1 2 326.375 2.405 20 30 EEEDLO N#Cc1cnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC000413028055 467157791 /nfs/dbraw/zinc/15/77/91/467157791.db2.gz NXUHGGWFRASXFN-MRXNPFEDSA-N 1 2 326.375 2.405 20 30 EEEDLO C[C@@H](O)[C@H]1CCN(c2cc(N(C)Cc3ccc(C#N)cc3)nc[nH+]2)C1 ZINC000413043431 467159168 /nfs/dbraw/zinc/15/91/68/467159168.db2.gz CKMMIQXEAHDHRL-PBHICJAKSA-N 1 2 337.427 2.192 20 30 EEEDLO C[C@@H](O)[C@H]1CCN(c2cc(N(C)Cc3ccc(C#N)cc3)[nH+]cn2)C1 ZINC000413043431 467159170 /nfs/dbraw/zinc/15/91/70/467159170.db2.gz CKMMIQXEAHDHRL-PBHICJAKSA-N 1 2 337.427 2.192 20 30 EEEDLO CC1(C)COCC[N@@H+]1CCNc1cc(C(F)(F)F)cnc1C#N ZINC000413115673 467172974 /nfs/dbraw/zinc/17/29/74/467172974.db2.gz GDXMUYDLXQCJLQ-UHFFFAOYSA-N 1 2 328.338 2.495 20 30 EEEDLO CC1(C)COCC[N@H+]1CCNc1cc(C(F)(F)F)cnc1C#N ZINC000413115673 467172976 /nfs/dbraw/zinc/17/29/76/467172976.db2.gz GDXMUYDLXQCJLQ-UHFFFAOYSA-N 1 2 328.338 2.495 20 30 EEEDLO C=CCC[C@@H]1NC(=O)N(CCc2[nH+]ccn2Cc2ccccc2)C1=O ZINC000419921383 467267748 /nfs/dbraw/zinc/26/77/48/467267748.db2.gz HZAMYSWUDBFNKI-INIZCTEOSA-N 1 2 338.411 2.361 20 30 EEEDLO Cc1ccc(Br)cc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414121469 467379210 /nfs/dbraw/zinc/37/92/10/467379210.db2.gz HAADKXSDLNNSNR-CYBMUJFWSA-N 1 2 327.222 2.343 20 30 EEEDLO Cc1ccc(Br)cc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414121469 467379213 /nfs/dbraw/zinc/37/92/13/467379213.db2.gz HAADKXSDLNNSNR-CYBMUJFWSA-N 1 2 327.222 2.343 20 30 EEEDLO N#Cc1cncc(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)n1 ZINC000420587754 467429620 /nfs/dbraw/zinc/42/96/20/467429620.db2.gz PRUJXUKDVPDZPL-UHFFFAOYSA-N 1 2 331.782 2.463 20 30 EEEDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2cncc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000420620184 467435678 /nfs/dbraw/zinc/43/56/78/467435678.db2.gz ZQDDAOPXMMJIRC-NVXWUHKLSA-N 1 2 343.818 2.485 20 30 EEEDLO C[N@H+]1CCO[C@@H]([C@H](Nc2cncc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000420620184 467435680 /nfs/dbraw/zinc/43/56/80/467435680.db2.gz ZQDDAOPXMMJIRC-NVXWUHKLSA-N 1 2 343.818 2.485 20 30 EEEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H]1C ZINC000408155730 467519333 /nfs/dbraw/zinc/51/93/33/467519333.db2.gz SYRXHFCDGVZKQA-VXGBXAGGSA-N 1 2 341.864 2.315 20 30 EEEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H]1C ZINC000408155730 467519337 /nfs/dbraw/zinc/51/93/37/467519337.db2.gz SYRXHFCDGVZKQA-VXGBXAGGSA-N 1 2 341.864 2.315 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000437470028 467556494 /nfs/dbraw/zinc/55/64/94/467556494.db2.gz FTKUEYPLBBEUKZ-SQNIBIBYSA-N 1 2 338.492 2.221 20 30 EEEDLO CC#CCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2CCCC)c1 ZINC000440595415 467570463 /nfs/dbraw/zinc/57/04/63/467570463.db2.gz DNQVDPHFUHVWDF-UHFFFAOYSA-N 1 2 338.411 2.428 20 30 EEEDLO CC(C)(CC#N)CNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000457516855 467640596 /nfs/dbraw/zinc/64/05/96/467640596.db2.gz CJTHMMYKRIHWFT-QGZVFWFLSA-N 1 2 344.459 2.299 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1cc(Cl)c2c(c1)OCCO2 ZINC000493325474 467887167 /nfs/dbraw/zinc/88/71/67/467887167.db2.gz RRMRWQYMSCKUBY-CHYADLBTSA-N 1 2 349.818 2.084 20 30 EEEDLO COc1cc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc1OC(C)C ZINC000493341292 467890842 /nfs/dbraw/zinc/89/08/42/467890842.db2.gz VBTSOJSWSWYUCY-IBHIWXBSSA-N 1 2 345.443 2.456 20 30 EEEDLO Cn1ccc(/C=C\C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000493349376 467891919 /nfs/dbraw/zinc/89/19/19/467891919.db2.gz HFVVILHESUUATP-SREVYHEPSA-N 1 2 334.423 2.254 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000493450796 467913235 /nfs/dbraw/zinc/91/32/35/467913235.db2.gz BKGGAFLUVXPCGO-PKYBCLHXSA-N 1 2 336.779 2.221 20 30 EEEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)/C=C/c2[nH]cc[nH+]2)ccc1OC ZINC000493623367 467951537 /nfs/dbraw/zinc/95/15/37/467951537.db2.gz UDSPCYMMESNZTD-UZYOAWRESA-N 1 2 340.383 2.429 20 30 EEEDLO C=C[C@H]1CCCCN1c1nc(NC)[nH+]c(N2CCCC[C@@H]2C=C)n1 ZINC000486472511 468011831 /nfs/dbraw/zinc/01/18/31/468011831.db2.gz UCXMICDUHLZRBN-GJZGRUSLSA-N 1 2 328.464 2.425 20 30 EEEDLO C=C[C@H]1CCCCN1c1nc(NC)nc(N2CCCC[C@@H]2C=C)[nH+]1 ZINC000486472511 468011835 /nfs/dbraw/zinc/01/18/35/468011835.db2.gz UCXMICDUHLZRBN-GJZGRUSLSA-N 1 2 328.464 2.425 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000495560369 468096344 /nfs/dbraw/zinc/09/63/44/468096344.db2.gz PZQFVTRXZOZZPB-KRWDZBQOSA-N 1 2 345.443 2.478 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000495560369 468096346 /nfs/dbraw/zinc/09/63/46/468096346.db2.gz PZQFVTRXZOZZPB-KRWDZBQOSA-N 1 2 345.443 2.478 20 30 EEEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OC[C@@H]2CCOC2)cc1 ZINC000496245333 468122005 /nfs/dbraw/zinc/12/20/05/468122005.db2.gz ODFJIGVICNLORK-CQSZACIVSA-N 1 2 349.431 2.385 20 30 EEEDLO N#Cc1c2c(cnc1NCc1ccc[nH+]c1N1CCOCC1)CCC2 ZINC000518994676 468134653 /nfs/dbraw/zinc/13/46/53/468134653.db2.gz FSJGRKVXBIAQDQ-UHFFFAOYSA-N 1 2 335.411 2.286 20 30 EEEDLO COc1cccc([C@H](NC(=O)c2cccc(C#N)n2)c2[nH+]ccn2C)c1 ZINC000589272461 468139121 /nfs/dbraw/zinc/13/91/21/468139121.db2.gz BVFWFZUIVKHVMF-KRWDZBQOSA-N 1 2 347.378 2.215 20 30 EEEDLO CCc1nc2ccc(Cl)cn2c1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000566308911 468150129 /nfs/dbraw/zinc/15/01/29/468150129.db2.gz LDHCLWGZSXUANS-MRXNPFEDSA-N 1 2 333.823 2.124 20 30 EEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000566429491 468152198 /nfs/dbraw/zinc/15/21/98/468152198.db2.gz WEMCUAKFPUFGDA-KBPBESRZSA-N 1 2 328.416 2.422 20 30 EEEDLO C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000575992052 468158216 /nfs/dbraw/zinc/15/82/16/468158216.db2.gz NLNAHSZBMPYJIA-XHDPSFHLSA-N 1 2 343.349 2.433 20 30 EEEDLO Cc1cc(NC(=O)c2cccc(C#N)n2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000589782638 468184423 /nfs/dbraw/zinc/18/44/23/468184423.db2.gz BBPPSFAHXNBQAY-UHFFFAOYSA-N 1 2 333.355 2.107 20 30 EEEDLO C=CCC1(C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)CCC1 ZINC000578329921 468202678 /nfs/dbraw/zinc/20/26/78/468202678.db2.gz UKNXLFPQNMRLOM-UHFFFAOYSA-N 1 2 327.432 2.392 20 30 EEEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ncc(C#N)cn1 ZINC000496416324 468233286 /nfs/dbraw/zinc/23/32/86/468233286.db2.gz NSIJALZODIVLHY-JSGCOSHPSA-N 1 2 331.420 2.226 20 30 EEEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ncc(C#N)cn1 ZINC000496416324 468233291 /nfs/dbraw/zinc/23/32/91/468233291.db2.gz NSIJALZODIVLHY-JSGCOSHPSA-N 1 2 331.420 2.226 20 30 EEEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cnn1-c1ccc(Cl)cc1 ZINC000569608571 468518185 /nfs/dbraw/zinc/51/81/85/468518185.db2.gz DBKPHTZDOILCKD-QGZVFWFLSA-N 1 2 345.834 2.408 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147508 468637974 /nfs/dbraw/zinc/63/79/74/468637974.db2.gz PIACAYZKJWMGNC-XHDPSFHLSA-N 1 2 341.333 2.383 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147508 468637978 /nfs/dbraw/zinc/63/79/78/468637978.db2.gz PIACAYZKJWMGNC-XHDPSFHLSA-N 1 2 341.333 2.383 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000592151239 468640185 /nfs/dbraw/zinc/64/01/85/468640185.db2.gz KSYOXGZPRBZBGO-INIZCTEOSA-N 1 2 328.328 2.100 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000592151239 468640189 /nfs/dbraw/zinc/64/01/89/468640189.db2.gz KSYOXGZPRBZBGO-INIZCTEOSA-N 1 2 328.328 2.100 20 30 EEEDLO CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152385 468641010 /nfs/dbraw/zinc/64/10/10/468641010.db2.gz WUTSATZYXFPQPT-QBNJSCLLSA-N 1 2 345.487 2.012 20 30 EEEDLO CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152385 468641015 /nfs/dbraw/zinc/64/10/15/468641015.db2.gz WUTSATZYXFPQPT-QBNJSCLLSA-N 1 2 345.487 2.012 20 30 EEEDLO COc1ccc(Br)c(C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592153029 468641494 /nfs/dbraw/zinc/64/14/94/468641494.db2.gz IAHKPJGEXIYIKR-AWEZNQCLSA-N 1 2 325.206 2.308 20 30 EEEDLO COc1ccc(Br)c(C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592153029 468641496 /nfs/dbraw/zinc/64/14/96/468641496.db2.gz IAHKPJGEXIYIKR-AWEZNQCLSA-N 1 2 325.206 2.308 20 30 EEEDLO CC1CCN(C(=O)C[NH+]2CCN(c3ccsc3C#N)CC2)CC1 ZINC000595632736 468931613 /nfs/dbraw/zinc/93/16/13/468931613.db2.gz PYSCRECUFDDWSE-UHFFFAOYSA-N 1 2 332.473 2.000 20 30 EEEDLO Cn1cc[nH+]c1CN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595725685 468971262 /nfs/dbraw/zinc/97/12/62/468971262.db2.gz HHPUHBIYSXXSGP-UHFFFAOYSA-N 1 2 347.426 2.004 20 30 EEEDLO C[C@H](CCC#N)C[N@@H+]1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000602720421 469031389 /nfs/dbraw/zinc/03/13/89/469031389.db2.gz GFJGEUJAKJUCJR-RHSMWYFYSA-N 1 2 336.457 2.403 20 30 EEEDLO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000602720421 469031397 /nfs/dbraw/zinc/03/13/97/469031397.db2.gz GFJGEUJAKJUCJR-RHSMWYFYSA-N 1 2 336.457 2.403 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000595866152 469052849 /nfs/dbraw/zinc/05/28/49/469052849.db2.gz FKJQRXGKCXUESU-KCTSRDHCSA-N 1 2 339.386 2.031 20 30 EEEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000614925018 469096245 /nfs/dbraw/zinc/09/62/45/469096245.db2.gz RLEINGWSLWZOGQ-HNNXBMFYSA-N 1 2 347.381 2.372 20 30 EEEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000614925018 469096247 /nfs/dbraw/zinc/09/62/47/469096247.db2.gz RLEINGWSLWZOGQ-HNNXBMFYSA-N 1 2 347.381 2.372 20 30 EEEDLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)CC#N)c1 ZINC000602860608 469125952 /nfs/dbraw/zinc/12/59/52/469125952.db2.gz CMJHGFSOGRBZAI-CJNGLKHVSA-N 1 2 331.416 2.259 20 30 EEEDLO CC(C)(C)CNC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000599250549 469178195 /nfs/dbraw/zinc/17/81/95/469178195.db2.gz AGIXUXYDPZVFLO-UHFFFAOYSA-N 1 2 342.487 2.228 20 30 EEEDLO CC(C)(C)CNC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000599250549 469178202 /nfs/dbraw/zinc/17/82/02/469178202.db2.gz AGIXUXYDPZVFLO-UHFFFAOYSA-N 1 2 342.487 2.228 20 30 EEEDLO CC(C)C[C@H](NC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccccc1 ZINC000611174043 469180019 /nfs/dbraw/zinc/18/00/19/469180019.db2.gz VKKUJHIKMQUEMZ-IBGZPJMESA-N 1 2 342.487 2.421 20 30 EEEDLO CCc1cnc(C[N@H+](C)C[C@@H](O)COc2ccccc2C#N)s1 ZINC000599306675 469202329 /nfs/dbraw/zinc/20/23/29/469202329.db2.gz AKCCBPURVVGCGV-CQSZACIVSA-N 1 2 331.441 2.449 20 30 EEEDLO CCc1cnc(C[N@@H+](C)C[C@@H](O)COc2ccccc2C#N)s1 ZINC000599306675 469202336 /nfs/dbraw/zinc/20/23/36/469202336.db2.gz AKCCBPURVVGCGV-CQSZACIVSA-N 1 2 331.441 2.449 20 30 EEEDLO COC(=O)C1([NH2+]C[C@@H](O)COc2ccccc2C#N)CCCCCC1 ZINC000599352939 469222048 /nfs/dbraw/zinc/22/20/48/469222048.db2.gz SRVQGDMDQFKVKO-MRXNPFEDSA-N 1 2 346.427 2.154 20 30 EEEDLO COc1ccc(C#N)cc1CN1CCc2[nH+]c[nH]c2[C@@H]1c1ccnn1C ZINC000599443584 469258068 /nfs/dbraw/zinc/25/80/68/469258068.db2.gz BYERYPGIARHTTA-IBGZPJMESA-N 1 2 348.410 2.171 20 30 EEEDLO C[C@@H](Nc1c(C#N)cnn1-c1ccccc1)[C@@H](C)[NH+]1CCOCC1 ZINC000603287346 469336980 /nfs/dbraw/zinc/33/69/80/469336980.db2.gz GFHWYEGCONCEPM-HUUCEWRRSA-N 1 2 325.416 2.265 20 30 EEEDLO C[C@]1(C#N)CCCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000612364189 469447317 /nfs/dbraw/zinc/44/73/17/469447317.db2.gz FNRQKXWEXWWJBE-LJQANCHMSA-N 1 2 327.428 2.285 20 30 EEEDLO N#CCCn1cc(C[N@@H+]2CCc3c[nH]nc3C2)c(-c2ccncc2)n1 ZINC000619071046 469516646 /nfs/dbraw/zinc/51/66/46/469516646.db2.gz BDLSYBWNGKUCAO-UHFFFAOYSA-N 1 2 333.399 2.140 20 30 EEEDLO N#CCCn1cc(C[N@H+]2CCc3c[nH]nc3C2)c(-c2ccncc2)n1 ZINC000619071046 469516650 /nfs/dbraw/zinc/51/66/50/469516650.db2.gz BDLSYBWNGKUCAO-UHFFFAOYSA-N 1 2 333.399 2.140 20 30 EEEDLO N#CCCn1cc(C[N@@H+]2CCc3cn[nH]c3C2)c(-c2ccncc2)n1 ZINC000619071046 469516652 /nfs/dbraw/zinc/51/66/52/469516652.db2.gz BDLSYBWNGKUCAO-UHFFFAOYSA-N 1 2 333.399 2.140 20 30 EEEDLO N#CCCn1cc(C[N@H+]2CCc3cn[nH]c3C2)c(-c2ccncc2)n1 ZINC000619071046 469516653 /nfs/dbraw/zinc/51/66/53/469516653.db2.gz BDLSYBWNGKUCAO-UHFFFAOYSA-N 1 2 333.399 2.140 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1C#N ZINC000619517101 469630982 /nfs/dbraw/zinc/63/09/82/469630982.db2.gz WTGOHFMRBWSKOH-IFXJQAMLSA-N 1 2 344.411 2.115 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1C#N ZINC000619517101 469630983 /nfs/dbraw/zinc/63/09/83/469630983.db2.gz WTGOHFMRBWSKOH-IFXJQAMLSA-N 1 2 344.411 2.115 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)nc1 ZINC000619778155 469680898 /nfs/dbraw/zinc/68/08/98/469680898.db2.gz NGDCDGLDEIGPOR-MRXNPFEDSA-N 1 2 326.787 2.393 20 30 EEEDLO C=C1CC(C)(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000630842353 470008893 /nfs/dbraw/zinc/00/88/93/470008893.db2.gz KSXXLRFARZFKNS-UHFFFAOYSA-N 1 2 344.455 2.370 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2nnc(-c3ccc(Cl)cc3)o2)nn1 ZINC000640795260 471032381 /nfs/dbraw/zinc/03/23/81/471032381.db2.gz TWYPBHKGHLFUDF-UHFFFAOYSA-N 1 2 342.790 2.143 20 30 EEEDLO C=CC[C@H](C(=O)N1CC[NH+](CCOCCOC)CC1)c1ccccc1 ZINC000652998565 471446431 /nfs/dbraw/zinc/44/64/31/471446431.db2.gz RMSUVKLJPBFEJX-IBGZPJMESA-N 1 2 346.471 2.154 20 30 EEEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)nn1 ZINC000653648403 471700579 /nfs/dbraw/zinc/70/05/79/471700579.db2.gz WZRFZLPKNONVBT-HNNXBMFYSA-N 1 2 331.395 2.432 20 30 EEEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)nn1 ZINC000653648403 471700585 /nfs/dbraw/zinc/70/05/85/471700585.db2.gz WZRFZLPKNONVBT-HNNXBMFYSA-N 1 2 331.395 2.432 20 30 EEEDLO C=CCOc1cccc(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000665847744 472213163 /nfs/dbraw/zinc/21/31/63/472213163.db2.gz BCFOHRPHRPKZKT-HUUCEWRRSA-N 1 2 333.432 2.482 20 30 EEEDLO C=CCOc1cccc(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000665847744 472213169 /nfs/dbraw/zinc/21/31/69/472213169.db2.gz BCFOHRPHRPKZKT-HUUCEWRRSA-N 1 2 333.432 2.482 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000672782248 486192449 /nfs/dbraw/zinc/19/24/49/486192449.db2.gz JMEGLKYXRCGIRF-WMLDXEAASA-N 1 2 329.444 2.150 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000672782248 486192453 /nfs/dbraw/zinc/19/24/53/486192453.db2.gz JMEGLKYXRCGIRF-WMLDXEAASA-N 1 2 329.444 2.150 20 30 EEEDLO C=CC[N@@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000108871335 526381345 /nfs/dbraw/zinc/38/13/45/526381345.db2.gz IREPUYLFRAZSNA-INIZCTEOSA-N 1 2 348.472 2.187 20 30 EEEDLO C=CC[N@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000108871335 526381350 /nfs/dbraw/zinc/38/13/50/526381350.db2.gz IREPUYLFRAZSNA-INIZCTEOSA-N 1 2 348.472 2.187 20 30 EEEDLO C#CCCCCNC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000160220552 526700845 /nfs/dbraw/zinc/70/08/45/526700845.db2.gz MYSBLZBVVKHVGC-IBGZPJMESA-N 1 2 343.471 2.471 20 30 EEEDLO C=CCOc1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1OC ZINC000112135076 526868715 /nfs/dbraw/zinc/86/87/15/526868715.db2.gz CSZJJHYIQMNWEI-UHFFFAOYSA-N 1 2 340.427 2.372 20 30 EEEDLO C=CCCC1(C(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC000356214750 527088826 /nfs/dbraw/zinc/08/88/26/527088826.db2.gz HYIBTSFUCXCUAL-AWEZNQCLSA-N 1 2 329.448 2.350 20 30 EEEDLO C=CCCC1(C(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)CC1 ZINC000356214750 527088833 /nfs/dbraw/zinc/08/88/33/527088833.db2.gz HYIBTSFUCXCUAL-AWEZNQCLSA-N 1 2 329.448 2.350 20 30 EEEDLO C=CC[C@H](C)NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000116951004 527130698 /nfs/dbraw/zinc/13/06/98/527130698.db2.gz AJMPJZNFNSIKDT-INIZCTEOSA-N 1 2 347.459 2.161 20 30 EEEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]NCC(F)F ZINC000740617074 576548890 /nfs/dbraw/zinc/54/88/90/576548890.db2.gz AXOBFQSQUTVAKH-UHFFFAOYSA-N 1 2 329.310 2.150 20 30 EEEDLO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1CC(=O)NCCC#N ZINC000731845280 577127550 /nfs/dbraw/zinc/12/75/50/577127550.db2.gz UDCPVMYGNXSHBB-MRXNPFEDSA-N 1 2 325.416 2.130 20 30 EEEDLO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1CC(=O)NCCC#N ZINC000731845280 577127552 /nfs/dbraw/zinc/12/75/52/577127552.db2.gz UDCPVMYGNXSHBB-MRXNPFEDSA-N 1 2 325.416 2.130 20 30 EEEDLO C#C[C@@H]([NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)[C@@H]1CCCO1 ZINC000775343885 577435482 /nfs/dbraw/zinc/43/54/82/577435482.db2.gz ZESFVEJXMPXFIO-ZBFHGGJFSA-N 1 2 334.782 2.330 20 30 EEEDLO C#CCN(C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1)C1CC1 ZINC000764709266 577487146 /nfs/dbraw/zinc/48/71/46/577487146.db2.gz PHLRYEUBSCNFHE-UHFFFAOYSA-N 1 2 327.428 2.471 20 30 EEEDLO Cn1ncc2c1nc(N=NC1CCCC[C@H]1[NH+]1CCCCC1)[nH]c2=O ZINC000769818051 577585211 /nfs/dbraw/zinc/58/52/11/577585211.db2.gz DWQDWBQZAFDNOQ-CQSZACIVSA-N 1 2 343.435 2.265 20 30 EEEDLO CCOC(=O)CC[C@H]1CCC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758239037 577619668 /nfs/dbraw/zinc/61/96/68/577619668.db2.gz BJMAJWCUDQGINO-OAHLLOKOSA-N 1 2 331.416 2.041 20 30 EEEDLO CCOC(=O)CC[C@H]1CCC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758239037 577619669 /nfs/dbraw/zinc/61/96/69/577619669.db2.gz BJMAJWCUDQGINO-OAHLLOKOSA-N 1 2 331.416 2.041 20 30 EEEDLO C#CCNC(=O)C[NH2+][C@@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000751564249 577755441 /nfs/dbraw/zinc/75/54/41/577755441.db2.gz WDFUSWNCKPCBIO-FQEVSTJZSA-N 1 2 338.407 2.132 20 30 EEEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccccc1SCC#N ZINC000741148202 578113708 /nfs/dbraw/zinc/11/37/08/578113708.db2.gz YQLXLVFNFYOZTJ-CQSZACIVSA-N 1 2 347.440 2.268 20 30 EEEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccccc1SCC#N ZINC000741148202 578113709 /nfs/dbraw/zinc/11/37/09/578113709.db2.gz YQLXLVFNFYOZTJ-CQSZACIVSA-N 1 2 347.440 2.268 20 30 EEEDLO CC[N@H+](CC(=O)/C=C1/N(C)c2ccccc2C1(C)C)CC(=O)N(C)C ZINC000735869433 578171965 /nfs/dbraw/zinc/17/19/65/578171965.db2.gz ICHOCADIBUDZGM-LDADJPATSA-N 1 2 343.471 2.277 20 30 EEEDLO CC[N@@H+](CC(=O)/C=C1/N(C)c2ccccc2C1(C)C)CC(=O)N(C)C ZINC000735869433 578171966 /nfs/dbraw/zinc/17/19/66/578171966.db2.gz ICHOCADIBUDZGM-LDADJPATSA-N 1 2 343.471 2.277 20 30 EEEDLO N#CC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000822805724 606487789 /nfs/dbraw/zinc/48/77/89/606487789.db2.gz BHFJYUNKJHYLRJ-UHFFFAOYSA-N 1 2 334.330 2.204 20 30 EEEDLO C(=[NH+]Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCCC2)nc1 ZINC000819718949 606916717 /nfs/dbraw/zinc/91/67/17/606916717.db2.gz VLOFHCCTKLMWPD-UHFFFAOYSA-N 1 2 334.387 2.308 20 30 EEEDLO Cc1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccc(C#N)cc3F)C2)no1 ZINC000969263230 674766801 /nfs/dbraw/zinc/76/68/01/674766801.db2.gz GWRVMHTYDZWGTC-LBPRGKRZSA-N 1 2 342.374 2.244 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c(CC)ncnc2CC)C1 ZINC000970436602 675896511 /nfs/dbraw/zinc/89/65/11/675896511.db2.gz JENVRVRKKSZFBU-LBPRGKRZSA-N 1 2 336.867 2.404 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@H](C)C2C[NH+](Cc3ccccc3C#N)C2)o1 ZINC000969441917 675029527 /nfs/dbraw/zinc/02/95/27/675029527.db2.gz BBSXTMIMAULPTB-GFCCVEGCSA-N 1 2 338.411 2.413 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nc([C@H](C)OCC)no2)C1 ZINC000969584819 675116574 /nfs/dbraw/zinc/11/65/74/675116574.db2.gz NXBXVOKZBQMHEI-QWHCGFSZSA-N 1 2 336.436 2.070 20 30 EEEDLO CCc1cc(C(=O)N[C@H](C)C2C[NH+](Cc3ccccc3C#N)C2)no1 ZINC000970760428 676130804 /nfs/dbraw/zinc/13/08/04/676130804.db2.gz OTUROWSPEZNTLO-CYBMUJFWSA-N 1 2 338.411 2.359 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC000970891775 676219612 /nfs/dbraw/zinc/21/96/12/676219612.db2.gz LJMVKVOASIGELJ-CYBMUJFWSA-N 1 2 347.850 2.149 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2conc2C(F)(F)F)C1 ZINC000970159941 675599891 /nfs/dbraw/zinc/59/98/91/675599891.db2.gz ZEQUYZXGZYGLAT-MRVPVSSYSA-N 1 2 337.729 2.496 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(-c3ccco3)on2)C1 ZINC000971221108 676445033 /nfs/dbraw/zinc/44/50/33/676445033.db2.gz NJIVCZCOTBYOSX-JSGCOSHPSA-N 1 2 328.372 2.127 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(-c3ccco3)on2)C1 ZINC000971221108 676445034 /nfs/dbraw/zinc/44/50/34/676445034.db2.gz NJIVCZCOTBYOSX-JSGCOSHPSA-N 1 2 328.372 2.127 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)c(C)s1 ZINC000971377067 676509059 /nfs/dbraw/zinc/50/90/59/676509059.db2.gz TYLIMWWGCASOGL-OAHLLOKOSA-N 1 2 343.456 2.306 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)c(C)s1 ZINC000971377067 676509061 /nfs/dbraw/zinc/50/90/61/676509061.db2.gz TYLIMWWGCASOGL-OAHLLOKOSA-N 1 2 343.456 2.306 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3cncs3)C2)cc1 ZINC001006852364 676592541 /nfs/dbraw/zinc/59/25/41/676592541.db2.gz JZQLLXZLKFFYFF-HNNXBMFYSA-N 1 2 326.425 2.409 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3cncs3)C2)cc1 ZINC001006852364 676592543 /nfs/dbraw/zinc/59/25/43/676592543.db2.gz JZQLLXZLKFFYFF-HNNXBMFYSA-N 1 2 326.425 2.409 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2onc(C)c2C)C1 ZINC000971756366 676777960 /nfs/dbraw/zinc/77/79/60/676777960.db2.gz LHZKWJSFBFGFHB-GFCCVEGCSA-N 1 2 342.237 2.346 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2onc(C)c2C)C1 ZINC000971756366 676777961 /nfs/dbraw/zinc/77/79/61/676777961.db2.gz LHZKWJSFBFGFHB-GFCCVEGCSA-N 1 2 342.237 2.346 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)[C@@H](C)c3nc(C)no3)C2)cc1 ZINC000972059396 678185402 /nfs/dbraw/zinc/18/54/02/678185402.db2.gz SNGVELLUMRHRDA-GUYCJALGSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@@H](C)c3nc(C)no3)C2)cc1 ZINC000972059396 678185404 /nfs/dbraw/zinc/18/54/04/678185404.db2.gz SNGVELLUMRHRDA-GUYCJALGSA-N 1 2 338.411 2.267 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([N@H+](C)Cc3noc4c3COCC4)C2)C1 ZINC000972283461 678491965 /nfs/dbraw/zinc/49/19/65/678491965.db2.gz NBISCXOUTXMKNF-CQSZACIVSA-N 1 2 345.443 2.136 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([N@@H+](C)Cc3noc4c3COCC4)C2)C1 ZINC000972283461 678491967 /nfs/dbraw/zinc/49/19/67/678491967.db2.gz NBISCXOUTXMKNF-CQSZACIVSA-N 1 2 345.443 2.136 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2noc(C)n2)C1 ZINC001022834325 678629120 /nfs/dbraw/zinc/62/91/20/678629120.db2.gz NCKOTWVHYRRAHN-SLZITWOASA-N 1 2 348.447 2.047 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3csc(C)c3C)C2)C1 ZINC000972394547 678675728 /nfs/dbraw/zinc/67/57/28/678675728.db2.gz KMBWRNUWXOVPPF-SFHVURJKSA-N 1 2 332.469 2.305 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3csc(C)c3C)C2)C1 ZINC000972394547 678675731 /nfs/dbraw/zinc/67/57/31/678675731.db2.gz KMBWRNUWXOVPPF-SFHVURJKSA-N 1 2 332.469 2.305 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4c(o3)CCCC4)C2)C1 ZINC000972406920 678694395 /nfs/dbraw/zinc/69/43/95/678694395.db2.gz IMOCMCBWOVDTJY-HXUWFJFHSA-N 1 2 342.439 2.099 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4c(o3)CCCC4)C2)C1 ZINC000972406920 678694398 /nfs/dbraw/zinc/69/43/98/678694398.db2.gz 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CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(F)F)o3)C2)C1 ZINC000972661087 679528013 /nfs/dbraw/zinc/52/80/13/679528013.db2.gz XIOXQZWQFBKGEU-KRWDZBQOSA-N 1 2 338.354 2.157 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(F)F)o3)C2)C1 ZINC000972661087 679528014 /nfs/dbraw/zinc/52/80/14/679528014.db2.gz XIOXQZWQFBKGEU-KRWDZBQOSA-N 1 2 338.354 2.157 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CCC4)C2)C1 ZINC000972676580 679588781 /nfs/dbraw/zinc/58/87/81/679588781.db2.gz JOGMDJGWXSJLIN-FQEVSTJZSA-N 1 2 326.440 2.278 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CCC4)C2)C1 ZINC000972676580 679588783 /nfs/dbraw/zinc/58/87/83/679588783.db2.gz JOGMDJGWXSJLIN-FQEVSTJZSA-N 1 2 326.440 2.278 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccon2)ccc1F ZINC001024343258 679877956 /nfs/dbraw/zinc/87/79/56/679877956.db2.gz NBTHHXOBBPUTDO-HNNXBMFYSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccon2)ccc1F ZINC001024343258 679877957 /nfs/dbraw/zinc/87/79/57/679877957.db2.gz NBTHHXOBBPUTDO-HNNXBMFYSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2cn[nH]c2)c1 ZINC001024345159 679878182 /nfs/dbraw/zinc/87/81/82/679878182.db2.gz OIVPTKDBXVUKQP-MRXNPFEDSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2CNC(=O)c2cn[nH]c2)c1 ZINC001024345159 679878183 /nfs/dbraw/zinc/87/81/83/679878183.db2.gz OIVPTKDBXVUKQP-MRXNPFEDSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccc(F)cn2)c[nH]1 ZINC001024399141 679889843 /nfs/dbraw/zinc/88/98/43/679889843.db2.gz DPHCMDIYJBCFNR-KRWDZBQOSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cn2)c[nH]1 ZINC001024399141 679889844 /nfs/dbraw/zinc/88/98/44/679889844.db2.gz DPHCMDIYJBCFNR-KRWDZBQOSA-N 1 2 341.390 2.205 20 30 EEEDLO C#CCC[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH]c2ccccc2c1=O ZINC001024527817 680042325 /nfs/dbraw/zinc/04/23/25/680042325.db2.gz AORPHWNGEOYSMG-HNNXBMFYSA-N 1 2 337.423 2.136 20 30 EEEDLO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH]c2ccccc2c1=O ZINC001024527817 680042328 /nfs/dbraw/zinc/04/23/28/680042328.db2.gz AORPHWNGEOYSMG-HNNXBMFYSA-N 1 2 337.423 2.136 20 30 EEEDLO CC1(C)C[N@H+](Cc2cncc(F)c2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973005468 681831433 /nfs/dbraw/zinc/83/14/33/681831433.db2.gz HRBWOFXGTOVTQS-MRXNPFEDSA-N 1 2 341.390 2.061 20 30 EEEDLO CC1(C)C[N@@H+](Cc2cncc(F)c2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973005468 681831441 /nfs/dbraw/zinc/83/14/41/681831441.db2.gz HRBWOFXGTOVTQS-MRXNPFEDSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)C(F)F)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000992945626 683675457 /nfs/dbraw/zinc/67/54/57/683675457.db2.gz ISMBPLMHUUHIIJ-QMTHXVAHSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)C(F)F)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000992945626 683675462 /nfs/dbraw/zinc/67/54/62/683675462.db2.gz ISMBPLMHUUHIIJ-QMTHXVAHSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2ccnn2C)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993113190 683939171 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EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nnc(CC)n3C)[C@@H](C)C2)C1 ZINC000947701647 685729376 /nfs/dbraw/zinc/72/93/76/685729376.db2.gz FCGJRAMMHGHLLU-GJZGRUSLSA-N 1 2 345.491 2.203 20 30 EEEDLO NC(=[NH+]OCC(=O)N1CCc2sccc2C1)c1ccc(F)cc1 ZINC000022183517 687281614 /nfs/dbraw/zinc/28/16/14/687281614.db2.gz BHPZRVBEFJVOHN-UHFFFAOYSA-N 1 2 333.388 2.109 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)OC)C1 ZINC001027329676 687499928 /nfs/dbraw/zinc/49/99/28/687499928.db2.gz ZTJJIMSPBLEFEO-STQMWFEESA-N 1 2 333.270 2.243 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)OC)C1 ZINC001027329676 687499930 /nfs/dbraw/zinc/49/99/30/687499930.db2.gz ZTJJIMSPBLEFEO-STQMWFEESA-N 1 2 333.270 2.243 20 30 EEEDLO C[C@H](C#N)C[NH2+]Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000893544905 694153340 /nfs/dbraw/zinc/15/33/40/694153340.db2.gz PGSSOFWVXJVMMV-KGLIPLIRSA-N 1 2 348.451 2.099 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059820505 689936916 /nfs/dbraw/zinc/93/69/16/689936916.db2.gz YWDIDKHYLIZLFX-BEFAXECRSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059820505 689936919 /nfs/dbraw/zinc/93/69/19/689936919.db2.gz YWDIDKHYLIZLFX-BEFAXECRSA-N 1 2 346.475 2.299 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001059854963 690304798 /nfs/dbraw/zinc/30/47/98/690304798.db2.gz SYBWHDRWPADSTR-RRFJBIMHSA-N 1 2 344.459 2.080 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001059854963 690304802 /nfs/dbraw/zinc/30/48/02/690304802.db2.gz SYBWHDRWPADSTR-RRFJBIMHSA-N 1 2 344.459 2.080 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@@H]([NH2+]Cc2nc(CC)no2)C[C@H]1C ZINC000988971049 691336433 /nfs/dbraw/zinc/33/64/33/691336433.db2.gz ZBOPNJACUKAUED-KGLIPLIRSA-N 1 2 343.431 2.012 20 30 EEEDLO C=CCc1cc(C[N@@H+]2CCO[C@H](c3ccnn3C)C2)cc(OC)c1O ZINC000897558680 691605381 /nfs/dbraw/zinc/60/53/81/691605381.db2.gz 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C=C[C@@](C)(CC)C(=O)N1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000938182783 693241819 /nfs/dbraw/zinc/24/18/19/693241819.db2.gz ICKZFKIUKIQPIX-KXBFYZLASA-N 1 2 346.475 2.246 20 30 EEEDLO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 ZINC001027589814 693328944 /nfs/dbraw/zinc/32/89/44/693328944.db2.gz YJPCIAOETCXPOG-ZDUSSCGKSA-N 1 2 328.441 2.308 20 30 EEEDLO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 ZINC001027589814 693328949 /nfs/dbraw/zinc/32/89/49/693328949.db2.gz YJPCIAOETCXPOG-ZDUSSCGKSA-N 1 2 328.441 2.308 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000943410058 1192236518 /nfs/dbraw/zinc/23/65/18/1192236518.db2.gz XNWSRDRSIYPTIK-KXBFYZLASA-N 1 2 346.475 2.360 20 30 EEEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)c2cccc(C)c2)CC1 ZINC001481464912 1181476504 /nfs/dbraw/zinc/47/65/04/1181476504.db2.gz LHZNCKWPHTWQMX-UHFFFAOYSA-N 1 2 335.879 2.437 20 30 EEEDLO C=CCCC(=O)NC/C=C/CNc1[nH+]c(C)nc(-n2cccn2)c1C ZINC001107077184 1193153808 /nfs/dbraw/zinc/15/38/08/1193153808.db2.gz STSMAXBSOBPKPY-VOTSOKGWSA-N 1 2 340.431 2.330 20 30 EEEDLO C=CC[C@H](C)C(=O)N1C[C@H]2C[C@@]2(C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001268906974 1183808115 /nfs/dbraw/zinc/80/81/15/1183808115.db2.gz CGCVDNJZJIYYFG-IQUTYRLHSA-N 1 2 338.411 2.334 20 30 EEEDLO CC1=CC[C@@H](C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)CC1 ZINC001270635650 1185254557 /nfs/dbraw/zinc/25/45/57/1185254557.db2.gz NUUMTGIVCJGNLQ-QGZVFWFLSA-N 1 2 338.455 2.287 20 30 EEEDLO CC(=O)Nc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)N3C(=O)CCCC#N)cc1 ZINC001271252453 1186104371 /nfs/dbraw/zinc/10/43/71/1186104371.db2.gz FNYTUOKNMZWMDV-HDICACEKSA-N 1 2 340.427 2.124 20 30 EEEDLO CC(=O)Nc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3C(=O)CCCC#N)cc1 ZINC001271252453 1186104375 /nfs/dbraw/zinc/10/43/75/1186104375.db2.gz FNYTUOKNMZWMDV-HDICACEKSA-N 1 2 340.427 2.124 20 30 EEEDLO CC/C=C(/C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001211964437 1187485740 /nfs/dbraw/zinc/48/57/40/1187485740.db2.gz NCIUIGAHVWIFHX-FOQVZNEXSA-N 1 2 326.440 2.210 20 30 EEEDLO CC/C=C(/C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001211964437 1187485744 /nfs/dbraw/zinc/48/57/44/1187485744.db2.gz NCIUIGAHVWIFHX-FOQVZNEXSA-N 1 2 326.440 2.210 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C(F)F)ncn3)[C@@H]2C1 ZINC001075944765 1188271721 /nfs/dbraw/zinc/27/17/21/1188271721.db2.gz NVSBIFXPOGBNFK-GXFFZTMASA-N 1 2 342.777 2.313 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C(F)F)ncn3)[C@@H]2C1 ZINC001075944765 1188271722 /nfs/dbraw/zinc/27/17/22/1188271722.db2.gz NVSBIFXPOGBNFK-GXFFZTMASA-N 1 2 342.777 2.313 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)N(C)C(=O)C3)[C@H]1C ZINC001088712434 1188352549 /nfs/dbraw/zinc/35/25/49/1188352549.db2.gz KKWNWPBONSFGLW-DOMZBBRYSA-N 1 2 347.846 2.151 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)N(C)C(=O)C3)[C@H]1C ZINC001088712434 1188352551 /nfs/dbraw/zinc/35/25/51/1188352551.db2.gz KKWNWPBONSFGLW-DOMZBBRYSA-N 1 2 347.846 2.151 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3snnc3C)[C@@H]2C)cc1 ZINC001088786939 1188510927 /nfs/dbraw/zinc/51/09/27/1188510927.db2.gz IGDMEYPLDPLXOB-CJNGLKHVSA-N 1 2 340.452 2.221 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3snnc3C)[C@@H]2C)cc1 ZINC001088786939 1188510930 /nfs/dbraw/zinc/51/09/30/1188510930.db2.gz IGDMEYPLDPLXOB-CJNGLKHVSA-N 1 2 340.452 2.221 20 30 EEEDLO C#CCC1(C(=O)N[C@@H](C)CCNC(=O)C[C@H](C)n2cc[nH+]c2)CCC1 ZINC001076545493 1188987138 /nfs/dbraw/zinc/98/71/38/1188987138.db2.gz CBIKOKVRGCLZHX-HOTGVXAUSA-N 1 2 344.459 2.039 20 30 EEEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O)C1CCCC1 ZINC001076668087 1189092384 /nfs/dbraw/zinc/09/23/84/1189092384.db2.gz ZQXCDJQYTZRTRP-QZTJIDSGSA-N 1 2 346.858 2.043 20 30 EEEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O)C1CCCC1 ZINC001076668087 1189092388 /nfs/dbraw/zinc/09/23/88/1189092388.db2.gz ZQXCDJQYTZRTRP-QZTJIDSGSA-N 1 2 346.858 2.043 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CCCCC2)C1 ZINC001076716089 1189124228 /nfs/dbraw/zinc/12/42/28/1189124228.db2.gz CSBDFVQLBQQZSJ-RTBURBONSA-N 1 2 341.455 2.190 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CCCCC2)C1 ZINC001076716089 1189124230 /nfs/dbraw/zinc/12/42/30/1189124230.db2.gz CSBDFVQLBQQZSJ-RTBURBONSA-N 1 2 341.455 2.190 20 30 EEEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1c(N)ncnc1Cl)CC2 ZINC001272907421 1193599551 /nfs/dbraw/zinc/59/95/51/1193599551.db2.gz PXTXOOQKVFTHFH-CYBMUJFWSA-N 1 2 349.866 2.007 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001077116211 1189341543 /nfs/dbraw/zinc/34/15/43/1189341543.db2.gz KPCHIJALZHCJDZ-GJZGRUSLSA-N 1 2 346.475 2.059 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001077116657 1189342220 /nfs/dbraw/zinc/34/22/20/1189342220.db2.gz VRBFEQBQJFNROI-GJZGRUSLSA-N 1 2 346.475 2.059 20 30 EEEDLO CC#CCCCC(=O)N[C@@H](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001077143903 1189357230 /nfs/dbraw/zinc/35/72/30/1189357230.db2.gz MBTRMFGWHRCFLI-HNNXBMFYSA-N 1 2 346.475 2.131 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC001409586571 1190077794 /nfs/dbraw/zinc/07/77/94/1190077794.db2.gz HMKUSSOCNRGWQV-GFCCVEGCSA-N 1 2 333.823 2.274 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC001409586571 1190077798 /nfs/dbraw/zinc/07/77/98/1190077798.db2.gz HMKUSSOCNRGWQV-GFCCVEGCSA-N 1 2 333.823 2.274 20 30 EEEDLO N#Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cocn2)c1 ZINC001272378372 1190793873 /nfs/dbraw/zinc/79/38/73/1190793873.db2.gz UEBJFBLIUSLVLE-QZTJIDSGSA-N 1 2 336.395 2.312 20 30 EEEDLO N#Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cocn2)c1 ZINC001272378372 1190793877 /nfs/dbraw/zinc/79/38/77/1190793877.db2.gz UEBJFBLIUSLVLE-QZTJIDSGSA-N 1 2 336.395 2.312 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3ccc(F)cc3C#N)C2)OCC1=O ZINC001272389017 1190798438 /nfs/dbraw/zinc/79/84/38/1190798438.db2.gz PUBWXLGWTIKHCZ-LJQANCHMSA-N 1 2 343.402 2.077 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3ccc(F)cc3C#N)C2)OCC1=O ZINC001272389017 1190798440 /nfs/dbraw/zinc/79/84/40/1190798440.db2.gz PUBWXLGWTIKHCZ-LJQANCHMSA-N 1 2 343.402 2.077 20 30 EEEDLO C#CCN1C(=O)COCC12C[NH+](Cc1ccc(C(C)(C)C)cc1)C2 ZINC001272999331 1194307852 /nfs/dbraw/zinc/30/78/52/1194307852.db2.gz OYXOIKRRQWRIAX-UHFFFAOYSA-N 1 2 326.440 2.031 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC)nc1C(C)C ZINC001018008103 1224207484 /nfs/dbraw/zinc/20/74/84/1224207484.db2.gz XKSZCOOGZMVJPB-IYBDPMFKSA-N 1 2 328.460 2.339 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(CC)nc1C(C)C ZINC001018008103 1224207494 /nfs/dbraw/zinc/20/74/94/1224207494.db2.gz XKSZCOOGZMVJPB-IYBDPMFKSA-N 1 2 328.460 2.339 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2nn(C)c3c2CCCC3)C1 ZINC001033441141 1194572018 /nfs/dbraw/zinc/57/20/18/1194572018.db2.gz XQWOBYDIZRKFCP-CYBMUJFWSA-N 1 2 336.867 2.198 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nn(C)c3c2CCCC3)C1 ZINC001033441141 1194572020 /nfs/dbraw/zinc/57/20/20/1194572020.db2.gz XQWOBYDIZRKFCP-CYBMUJFWSA-N 1 2 336.867 2.198 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001033493420 1194645481 /nfs/dbraw/zinc/64/54/81/1194645481.db2.gz DSFATBKBPIKSQJ-RYRKJORJSA-N 1 2 347.459 2.305 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001033493420 1194645483 /nfs/dbraw/zinc/64/54/83/1194645483.db2.gz DSFATBKBPIKSQJ-RYRKJORJSA-N 1 2 347.459 2.305 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+]([C@@H](C)c3ncc(C)o3)C2)nc1 ZINC001033596690 1194928151 /nfs/dbraw/zinc/92/81/51/1194928151.db2.gz LYGSQPGUCMURLI-HOCLYGCPSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+]([C@@H](C)c3ncc(C)o3)C2)nc1 ZINC001033596690 1194928154 /nfs/dbraw/zinc/92/81/54/1194928154.db2.gz LYGSQPGUCMURLI-HOCLYGCPSA-N 1 2 338.411 2.267 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn3c2C[C@H](C)CC3)C1 ZINC001033625619 1194969993 /nfs/dbraw/zinc/96/99/93/1194969993.db2.gz WHCMSYKTBBCJDE-OCCSQVGLSA-N 1 2 336.867 2.364 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn3c2C[C@H](C)CC3)C1 ZINC001033625619 1194969995 /nfs/dbraw/zinc/96/99/95/1194969995.db2.gz WHCMSYKTBBCJDE-OCCSQVGLSA-N 1 2 336.867 2.364 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2cccnc2OC)C1 ZINC001014730282 1224252154 /nfs/dbraw/zinc/25/21/54/1224252154.db2.gz CMCFCKBFZZNHSB-INIZCTEOSA-N 1 2 340.427 2.082 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2cccnc2OC)C1 ZINC001014730282 1224252157 /nfs/dbraw/zinc/25/21/57/1224252157.db2.gz CMCFCKBFZZNHSB-INIZCTEOSA-N 1 2 340.427 2.082 20 30 EEEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1CC[NH+](Cc2nccs2)CC1 ZINC001005259405 1195022066 /nfs/dbraw/zinc/02/20/66/1195022066.db2.gz JKWXGSOKELHSDF-UHFFFAOYSA-N 1 2 329.429 2.079 20 30 EEEDLO CCN(C(=O)c1cc[nH]n1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033766066 1195231418 /nfs/dbraw/zinc/23/14/18/1195231418.db2.gz UVBJPYZHWURVJH-OAHLLOKOSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1cc[nH]n1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033766066 1195231422 /nfs/dbraw/zinc/23/14/22/1195231422.db2.gz UVBJPYZHWURVJH-OAHLLOKOSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1ccn[nH]1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033766066 1195231426 /nfs/dbraw/zinc/23/14/26/1195231426.db2.gz UVBJPYZHWURVJH-OAHLLOKOSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1ccn[nH]1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033766066 1195231430 /nfs/dbraw/zinc/23/14/30/1195231430.db2.gz UVBJPYZHWURVJH-OAHLLOKOSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001033795379 1195284821 /nfs/dbraw/zinc/28/48/21/1195284821.db2.gz MDGQVBDLCQLOPS-AWEZNQCLSA-N 1 2 343.456 2.388 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001033795379 1195284826 /nfs/dbraw/zinc/28/48/26/1195284826.db2.gz MDGQVBDLCQLOPS-AWEZNQCLSA-N 1 2 343.456 2.388 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC001033800855 1195285092 /nfs/dbraw/zinc/28/50/92/1195285092.db2.gz ANBNGDRXXSPIQD-XJKSGUPXSA-N 1 2 341.415 2.480 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC001033800855 1195285094 /nfs/dbraw/zinc/28/50/94/1195285094.db2.gz ANBNGDRXXSPIQD-XJKSGUPXSA-N 1 2 341.415 2.480 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2nn(C)cc2Cl)C1 ZINC001033849824 1195383582 /nfs/dbraw/zinc/38/35/82/1195383582.db2.gz JKSXVUOIARYIQY-NSHDSACASA-N 1 2 331.247 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2nn(C)cc2Cl)C1 ZINC001033849824 1195383587 /nfs/dbraw/zinc/38/35/87/1195383587.db2.gz JKSXVUOIARYIQY-NSHDSACASA-N 1 2 331.247 2.362 20 30 EEEDLO CCN(C(=O)c1ccnnc1C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033888638 1195430669 /nfs/dbraw/zinc/43/06/69/1195430669.db2.gz SDSHXIGQXGQBKX-GOSISDBHSA-N 1 2 349.438 2.393 20 30 EEEDLO CCN(C(=O)c1ccnnc1C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033888638 1195430672 /nfs/dbraw/zinc/43/06/72/1195430672.db2.gz SDSHXIGQXGQBKX-GOSISDBHSA-N 1 2 349.438 2.393 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)c2cc[nH]c2)CC1 ZINC001005428834 1195443144 /nfs/dbraw/zinc/44/31/44/1195443144.db2.gz ITMWPTMFTHMIEP-UHFFFAOYSA-N 1 2 326.238 2.460 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C(F)F)C2)ccc1F ZINC001034062266 1195715077 /nfs/dbraw/zinc/71/50/77/1195715077.db2.gz GPEUESDQSZFMGC-ZDUSSCGKSA-N 1 2 325.334 2.433 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C(F)F)C2)ccc1F ZINC001034062266 1195715081 /nfs/dbraw/zinc/71/50/81/1195715081.db2.gz GPEUESDQSZFMGC-ZDUSSCGKSA-N 1 2 325.334 2.433 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C1CC[NH+](Cc2ccon2)CC1 ZINC001005509641 1195760762 /nfs/dbraw/zinc/76/07/62/1195760762.db2.gz GQEAZYWEEQQKSD-UHFFFAOYSA-N 1 2 328.416 2.399 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H](NC(=O)c3ccon3)C2)c1 ZINC001034122254 1195807940 /nfs/dbraw/zinc/80/79/40/1195807940.db2.gz VGMFWYOHVRWNGE-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H](NC(=O)c3ccon3)C2)c1 ZINC001034122254 1195807942 /nfs/dbraw/zinc/80/79/42/1195807942.db2.gz VGMFWYOHVRWNGE-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO CC[C@H](F)C(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108124036 1196037087 /nfs/dbraw/zinc/03/70/87/1196037087.db2.gz CQSVIBWCHSHEAQ-WMZOPIPTSA-N 1 2 333.407 2.013 20 30 EEEDLO CC[C@H](F)C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108124036 1196037091 /nfs/dbraw/zinc/03/70/91/1196037091.db2.gz CQSVIBWCHSHEAQ-WMZOPIPTSA-N 1 2 333.407 2.013 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001078964331 1196038623 /nfs/dbraw/zinc/03/86/23/1196038623.db2.gz MKTNDWIMPKOQEM-MRXNPFEDSA-N 1 2 346.475 2.394 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccon2)C1 ZINC001034439913 1196234938 /nfs/dbraw/zinc/23/49/38/1196234938.db2.gz QXZSWUQPPLJMPJ-XIRDDKMYSA-N 1 2 333.432 2.127 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccon2)C1 ZINC001034439913 1196234941 /nfs/dbraw/zinc/23/49/41/1196234941.db2.gz QXZSWUQPPLJMPJ-XIRDDKMYSA-N 1 2 333.432 2.127 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C)o1 ZINC001034946530 1196907092 /nfs/dbraw/zinc/90/70/92/1196907092.db2.gz DMIZCIKTSMSRMW-GFCCVEGCSA-N 1 2 326.828 2.237 20 30 EEEDLO N#CCc1ccnc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000871720946 1197854865 /nfs/dbraw/zinc/85/48/65/1197854865.db2.gz QIDLLOURFFQIEJ-UHFFFAOYSA-N 1 2 336.399 2.465 20 30 EEEDLO C=CCc1cccc(C[NH+]2CC3(C2)CN(CC(C)C)C(=O)CO3)c1O ZINC001273360694 1198317504 /nfs/dbraw/zinc/31/75/04/1198317504.db2.gz TVSZRNJQOCQTIP-UHFFFAOYSA-N 1 2 344.455 2.190 20 30 EEEDLO CC[C@H]1COCC[N@@H+]1CCNc1cc(Br)cnc1C#N ZINC000872773872 1198379517 /nfs/dbraw/zinc/37/95/17/1198379517.db2.gz YEZGHXFOLQVLGD-LBPRGKRZSA-N 1 2 339.237 2.238 20 30 EEEDLO CC[C@H]1COCC[N@H+]1CCNc1cc(Br)cnc1C#N ZINC000872773872 1198379525 /nfs/dbraw/zinc/37/95/25/1198379525.db2.gz YEZGHXFOLQVLGD-LBPRGKRZSA-N 1 2 339.237 2.238 20 30 EEEDLO C=C(C)CN1CC2(C[NH+](Cc3c(C)cc(OC)cc3C)C2)OCC1=O ZINC001273394052 1198479250 /nfs/dbraw/zinc/47/92/50/1198479250.db2.gz FXPVQSMDQAZWHA-UHFFFAOYSA-N 1 2 344.455 2.301 20 30 EEEDLO Cc1nsc(N2CC[NH+](C[C@H](O)c3cccc(F)c3)CC2)c1C#N ZINC000810063970 1199254787 /nfs/dbraw/zinc/25/47/87/1199254787.db2.gz LKBAKPVNKLUEFZ-INIZCTEOSA-N 1 2 346.431 2.318 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)NCCCC)C2)CCC1 ZINC001132101378 1199293019 /nfs/dbraw/zinc/29/30/19/1199293019.db2.gz KKILLRGJPUHQJG-SJORKVTESA-N 1 2 347.503 2.065 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)NCCCC)C2)CCC1 ZINC001132101378 1199293025 /nfs/dbraw/zinc/29/30/25/1199293025.db2.gz KKILLRGJPUHQJG-SJORKVTESA-N 1 2 347.503 2.065 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCC2CC2)C1 ZINC001132218711 1199457921 /nfs/dbraw/zinc/45/79/21/1199457921.db2.gz UYFDGAUDQHVMBD-HOCLYGCPSA-N 1 2 335.492 2.084 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NCC2CC2)C1 ZINC001132218711 1199457926 /nfs/dbraw/zinc/45/79/26/1199457926.db2.gz UYFDGAUDQHVMBD-HOCLYGCPSA-N 1 2 335.492 2.084 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC2CCC2)C1 ZINC001132218980 1199457961 /nfs/dbraw/zinc/45/79/61/1199457961.db2.gz YRTLKFIOUWVFTO-ZBFHGGJFSA-N 1 2 335.492 2.084 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCC2CCC2)C1 ZINC001132218980 1199457964 /nfs/dbraw/zinc/45/79/64/1199457964.db2.gz YRTLKFIOUWVFTO-ZBFHGGJFSA-N 1 2 335.492 2.084 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cncc(OC)n2)C1 ZINC001132227232 1199467334 /nfs/dbraw/zinc/46/73/34/1199467334.db2.gz AYPPDNBNKOBLNS-ZIAGYGMSSA-N 1 2 332.448 2.167 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cncc(OC)n2)C1 ZINC001132227232 1199467337 /nfs/dbraw/zinc/46/73/37/1199467337.db2.gz AYPPDNBNKOBLNS-ZIAGYGMSSA-N 1 2 332.448 2.167 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2noc3c2COCC3)C1 ZINC001132228327 1199469822 /nfs/dbraw/zinc/46/98/22/1199469822.db2.gz PDRIXPQCWIDUMR-KBPBESRZSA-N 1 2 347.459 2.429 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2noc3c2COCC3)C1 ZINC001132228327 1199469825 /nfs/dbraw/zinc/46/98/25/1199469825.db2.gz PDRIXPQCWIDUMR-KBPBESRZSA-N 1 2 347.459 2.429 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[NH2+]Cc1nnc(C(F)(F)F)s1 ZINC001132303927 1199552398 /nfs/dbraw/zinc/55/23/98/1199552398.db2.gz BINQAAQPVYDYHB-UHFFFAOYSA-N 1 2 336.383 2.365 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCOC2CCOCC2)CC[C@H]1C ZINC001132417403 1199688631 /nfs/dbraw/zinc/68/86/31/1199688631.db2.gz XBOMJDYBUCMSFF-CABCVRRESA-N 1 2 344.883 2.294 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCOC2CCOCC2)CC[C@H]1C ZINC001132417403 1199688633 /nfs/dbraw/zinc/68/86/33/1199688633.db2.gz XBOMJDYBUCMSFF-CABCVRRESA-N 1 2 344.883 2.294 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCC(=O)N(CC)CC)CC[C@H]1C ZINC001132505874 1199806378 /nfs/dbraw/zinc/80/63/78/1199806378.db2.gz VWODPCDOCKCNPE-CABCVRRESA-N 1 2 343.899 2.357 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCC(=O)N(CC)CC)CC[C@H]1C ZINC001132505874 1199806381 /nfs/dbraw/zinc/80/63/81/1199806381.db2.gz VWODPCDOCKCNPE-CABCVRRESA-N 1 2 343.899 2.357 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+]Cc1nnc(C(F)(F)F)s1 ZINC001132660376 1199911209 /nfs/dbraw/zinc/91/12/09/1199911209.db2.gz MFJLNUOWRXGAHB-VIFPVBQESA-N 1 2 336.383 2.365 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001095323699 1200293470 /nfs/dbraw/zinc/29/34/70/1200293470.db2.gz YYHYLYZAFPTXSR-CYBMUJFWSA-N 1 2 328.420 2.123 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C)CC1 ZINC001011832293 1224650608 /nfs/dbraw/zinc/65/06/08/1224650608.db2.gz DXLRFKDQABJSNW-RHSMWYFYSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C)CC1 ZINC001011832293 1224650613 /nfs/dbraw/zinc/65/06/13/1224650613.db2.gz DXLRFKDQABJSNW-RHSMWYFYSA-N 1 2 344.459 2.194 20 30 EEEDLO CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585178 1201158759 /nfs/dbraw/zinc/15/87/59/1201158759.db2.gz UIHQINBZIVGWPH-HNNXBMFYSA-N 1 2 328.460 2.374 20 30 EEEDLO Cc1cccc([C@@H](CNc2cc(C#N)nc(C)n2)[NH+]2CCOCC2)c1 ZINC000881803737 1201761896 /nfs/dbraw/zinc/76/18/96/1201761896.db2.gz FPGSPXPQAFBALY-GOSISDBHSA-N 1 2 337.427 2.451 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)o1 ZINC001095328060 1202268493 /nfs/dbraw/zinc/26/84/93/1202268493.db2.gz SOUJKTKSYGVYKG-YOENINGUSA-N 1 2 339.399 2.279 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)o1 ZINC001095328060 1202268494 /nfs/dbraw/zinc/26/84/94/1202268494.db2.gz SOUJKTKSYGVYKG-YOENINGUSA-N 1 2 339.399 2.279 20 30 EEEDLO C=CCC1(O)CC[NH+](CN2C(=O)NC3(C2=O)[C@@H](C)CCC[C@@H]3C)CC1 ZINC000884478905 1202324874 /nfs/dbraw/zinc/32/48/74/1202324874.db2.gz PPEJBAHFSZJEHE-GJZGRUSLSA-N 1 2 349.475 2.094 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(OC)ncc1F ZINC001274024166 1204330666 /nfs/dbraw/zinc/33/06/66/1204330666.db2.gz AYQGATAVPBVVCV-SFHVURJKSA-N 1 2 333.407 2.372 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(OC)ncc1F ZINC001274024166 1204330670 /nfs/dbraw/zinc/33/06/70/1204330670.db2.gz AYQGATAVPBVVCV-SFHVURJKSA-N 1 2 333.407 2.372 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C#N)cn3)CC2)cc1 ZINC000889219459 1204589961 /nfs/dbraw/zinc/58/99/61/1204589961.db2.gz NZMDEDCZHIYFKT-UHFFFAOYSA-N 1 2 346.394 2.175 20 30 EEEDLO C#CCN1CCC2(CC[NH+](Cc3cccc(Cl)c3O)CC2)C1=O ZINC001274227974 1204901417 /nfs/dbraw/zinc/90/14/17/1204901417.db2.gz OOTZHJZFVCNBIN-UHFFFAOYSA-N 1 2 332.831 2.493 20 30 EEEDLO C#CCN1CC[C@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001274365789 1205010463 /nfs/dbraw/zinc/01/04/63/1205010463.db2.gz JAVJPVLQBBZHFY-KRWDZBQOSA-N 1 2 336.794 2.242 20 30 EEEDLO C#CCN1CC[C@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1=O ZINC001274365789 1205010465 /nfs/dbraw/zinc/01/04/65/1205010465.db2.gz JAVJPVLQBBZHFY-KRWDZBQOSA-N 1 2 336.794 2.242 20 30 EEEDLO N#Cc1cccc(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)n1 ZINC001274397792 1205020779 /nfs/dbraw/zinc/02/07/79/1205020779.db2.gz ZTNOMIFMVXBZGO-UHFFFAOYSA-N 1 2 338.333 2.196 20 30 EEEDLO N#Cc1cccc(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)n1 ZINC001274397792 1205020782 /nfs/dbraw/zinc/02/07/82/1205020782.db2.gz ZTNOMIFMVXBZGO-UHFFFAOYSA-N 1 2 338.333 2.196 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)co1 ZINC001274750099 1205152639 /nfs/dbraw/zinc/15/26/39/1205152639.db2.gz LDBVGRBXBXLQOG-ZIAGYGMSSA-N 1 2 337.217 2.241 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)co1 ZINC001274750099 1205152643 /nfs/dbraw/zinc/15/26/43/1205152643.db2.gz LDBVGRBXBXLQOG-ZIAGYGMSSA-N 1 2 337.217 2.241 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)ccc1C#N ZINC001274774614 1205159450 /nfs/dbraw/zinc/15/94/50/1205159450.db2.gz UVSCORYDXZVTNB-IBGZPJMESA-N 1 2 325.387 2.288 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1C#N ZINC001274774614 1205159452 /nfs/dbraw/zinc/15/94/52/1205159452.db2.gz UVSCORYDXZVTNB-IBGZPJMESA-N 1 2 325.387 2.288 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)n1 ZINC001274793984 1205170013 /nfs/dbraw/zinc/17/00/13/1205170013.db2.gz QJZAXRJBGFKGAY-ZIAGYGMSSA-N 1 2 338.333 2.081 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(F)(F)F)n1 ZINC001274793984 1205170015 /nfs/dbraw/zinc/17/00/15/1205170015.db2.gz QJZAXRJBGFKGAY-ZIAGYGMSSA-N 1 2 338.333 2.081 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC3(C2)C[NH+](Cc2scnc2C)C3)cc1 ZINC001275140040 1205266018 /nfs/dbraw/zinc/26/60/18/1205266018.db2.gz YPRHEFWUJDYVBF-UHFFFAOYSA-N 1 2 337.448 2.391 20 30 EEEDLO N#Cc1ccc(CN2CC3(C2)C[NH+](Cc2cccc(=O)[nH]2)C3)cc1F ZINC001275327102 1205309860 /nfs/dbraw/zinc/30/98/60/1205309860.db2.gz IRQWRKNNQICDDA-UHFFFAOYSA-N 1 2 338.386 2.116 20 30 EEEDLO COCCOCN1CC2(C1)CCC[N@H+](Cc1ccc(F)cc1C#N)C2 ZINC001275425734 1205355180 /nfs/dbraw/zinc/35/51/80/1205355180.db2.gz SLNCMCWOOYIZHL-UHFFFAOYSA-N 1 2 347.434 2.216 20 30 EEEDLO COCCOCN1CC2(C1)CCC[N@@H+](Cc1ccc(F)cc1C#N)C2 ZINC001275425734 1205355182 /nfs/dbraw/zinc/35/51/82/1205355182.db2.gz SLNCMCWOOYIZHL-UHFFFAOYSA-N 1 2 347.434 2.216 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001095444448 1205763670 /nfs/dbraw/zinc/76/36/70/1205763670.db2.gz MNPKADKNFFCAEK-SFHVURJKSA-N 1 2 342.447 2.051 20 30 EEEDLO N#Cc1cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)ccc1F ZINC001276238442 1205849042 /nfs/dbraw/zinc/84/90/42/1205849042.db2.gz JQFQLBWIYXTNLZ-MOPGFXCFSA-N 1 2 340.402 2.111 20 30 EEEDLO N#Cc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)ccc1F ZINC001276238442 1205849044 /nfs/dbraw/zinc/84/90/44/1205849044.db2.gz JQFQLBWIYXTNLZ-MOPGFXCFSA-N 1 2 340.402 2.111 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C(C)C ZINC001110897542 1206056221 /nfs/dbraw/zinc/05/62/21/1206056221.db2.gz NYCXNMOQYDHOGM-JJXSEGSLSA-N 1 2 335.492 2.081 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C(C)C ZINC001110897542 1206056223 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C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000949515333 1209723594 /nfs/dbraw/zinc/72/35/94/1209723594.db2.gz MLWFNCMTIZHLEM-UHFFFAOYSA-N 1 2 332.831 2.280 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC000951065665 1210598708 /nfs/dbraw/zinc/59/87/08/1210598708.db2.gz GRZAMBMBNOWZBQ-CQSZACIVSA-N 1 2 340.427 2.267 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC000951066128 1210598722 /nfs/dbraw/zinc/59/87/22/1210598722.db2.gz RPAICQBQFCKIPS-AUUYWEPGSA-N 1 2 340.427 2.267 20 30 EEEDLO C#Cc1cncc(C(=O)N(CC)C2C[NH+](C[C@@H]3CC(C)(C)CO3)C2)c1 ZINC000951719292 1210992916 /nfs/dbraw/zinc/99/29/16/1210992916.db2.gz OLMIXGJULYDCMW-SFHVURJKSA-N 1 2 341.455 2.024 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(C)Cc2ccc(F)cc2)cc1 ZINC000194261601 1211142398 /nfs/dbraw/zinc/14/23/98/1211142398.db2.gz DJTJFIMFJYCXIC-UHFFFAOYSA-N 1 2 345.374 2.130 20 30 EEEDLO C=CCOCC(=O)N1CCC[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]21 ZINC001111402364 1211603785 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2.079 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CCCCCC3)C2)C1 ZINC001015671648 1225534522 /nfs/dbraw/zinc/53/45/22/1225534522.db2.gz AKCDWJPAELQLJD-QGZVFWFLSA-N 1 2 347.503 2.372 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CCCCCC3)C2)C1 ZINC001015671648 1225534527 /nfs/dbraw/zinc/53/45/27/1225534527.db2.gz AKCDWJPAELQLJD-QGZVFWFLSA-N 1 2 347.503 2.372 20 30 EEEDLO CCc1ncoc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001015674459 1225537539 /nfs/dbraw/zinc/53/75/39/1225537539.db2.gz BCHNONHWVHUEOY-AWEZNQCLSA-N 1 2 342.374 2.252 20 30 EEEDLO CCc1ncoc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001015674459 1225537541 /nfs/dbraw/zinc/53/75/41/1225537541.db2.gz BCHNONHWVHUEOY-AWEZNQCLSA-N 1 2 342.374 2.252 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCCCN(CC)c1nc(C)[nH+]c(C)c1C ZINC001095889657 1214913102 /nfs/dbraw/zinc/91/31/02/1214913102.db2.gz CVGSPGZTPOOARV-OAHLLOKOSA-N 1 2 334.464 2.326 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)nc1 ZINC000957378837 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343.456 2.388 20 30 EEEDLO Cc1nc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)cs1 ZINC000960536182 1216665697 /nfs/dbraw/zinc/66/56/97/1216665697.db2.gz BSYKEKJZTVLGOA-HNNXBMFYSA-N 1 2 343.456 2.388 20 30 EEEDLO Cc1nc(C[N@H+](C)C[C@@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)c(C)o1 ZINC000960563277 1216687008 /nfs/dbraw/zinc/68/70/08/1216687008.db2.gz KCIIDEMICDEQJG-HNNXBMFYSA-N 1 2 341.415 2.228 20 30 EEEDLO Cc1nc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)c(C)o1 ZINC000960563277 1216687011 /nfs/dbraw/zinc/68/70/11/1216687011.db2.gz KCIIDEMICDEQJG-HNNXBMFYSA-N 1 2 341.415 2.228 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+](C)C[C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)o1 ZINC000960568316 1216692647 /nfs/dbraw/zinc/69/26/47/1216692647.db2.gz HAIQWIJKZFVCOB-XJKSGUPXSA-N 1 2 341.415 2.480 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+](C)C[C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)o1 ZINC000960568316 1216692649 /nfs/dbraw/zinc/69/26/49/1216692649.db2.gz HAIQWIJKZFVCOB-XJKSGUPXSA-N 1 2 341.415 2.480 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[N@@H+](C)[C@@H](C)c2ncccn2)cn1 ZINC000960980289 1216997689 /nfs/dbraw/zinc/99/76/89/1216997689.db2.gz ZOZKLQRUJVWQME-YJBOKZPZSA-N 1 2 349.438 2.151 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[N@H+](C)[C@@H](C)c2ncccn2)cn1 ZINC000960980289 1216997690 /nfs/dbraw/zinc/99/76/90/1216997690.db2.gz ZOZKLQRUJVWQME-YJBOKZPZSA-N 1 2 349.438 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2noc3ccc(F)cc23)C1 ZINC001015830940 1225719821 /nfs/dbraw/zinc/71/98/21/1225719821.db2.gz IASGCFJPIBSQOM-LBPRGKRZSA-N 1 2 337.782 2.452 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2noc3ccc(F)cc23)C1 ZINC001015830940 1225719824 /nfs/dbraw/zinc/71/98/24/1225719824.db2.gz IASGCFJPIBSQOM-LBPRGKRZSA-N 1 2 337.782 2.452 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C(F)F ZINC000964599495 1218477955 /nfs/dbraw/zinc/47/79/55/1218477955.db2.gz VTYPJLMZTUBTGY-IINYFYTJSA-N 1 2 325.334 2.289 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C(F)F ZINC000964599495 1218477957 /nfs/dbraw/zinc/47/79/57/1218477957.db2.gz VTYPJLMZTUBTGY-IINYFYTJSA-N 1 2 325.334 2.289 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1c[nH]nc1C1CC1 ZINC001015932017 1225847315 /nfs/dbraw/zinc/84/73/15/1225847315.db2.gz QSXAMVXRGPGOGC-KRWDZBQOSA-N 1 2 334.423 2.143 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1c[nH]nc1C1CC1 ZINC001015932017 1225847320 /nfs/dbraw/zinc/84/73/20/1225847320.db2.gz QSXAMVXRGPGOGC-KRWDZBQOSA-N 1 2 334.423 2.143 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cnoc1C1CC1 ZINC001015931973 1225848172 /nfs/dbraw/zinc/84/81/72/1225848172.db2.gz PZWFQIRQNJPKFK-KRWDZBQOSA-N 1 2 335.407 2.408 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cnoc1C1CC1 ZINC001015931973 1225848182 /nfs/dbraw/zinc/84/81/82/1225848182.db2.gz PZWFQIRQNJPKFK-KRWDZBQOSA-N 1 2 335.407 2.408 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1ccon1 ZINC000965323721 1219023534 /nfs/dbraw/zinc/02/35/34/1219023534.db2.gz JPZRFGUDKWBCOL-SJKOYZFVSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1ccon1 ZINC000965323721 1219023539 /nfs/dbraw/zinc/02/35/39/1219023539.db2.gz JPZRFGUDKWBCOL-SJKOYZFVSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000965917596 1219357047 /nfs/dbraw/zinc/35/70/47/1219357047.db2.gz XQYBXGNPSPECLK-LIRRHRJNSA-N 1 2 347.422 2.398 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000965917596 1219357052 /nfs/dbraw/zinc/35/70/52/1219357052.db2.gz XQYBXGNPSPECLK-LIRRHRJNSA-N 1 2 347.422 2.398 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c(c2)nnn3C)C1 ZINC000966911375 1220114446 /nfs/dbraw/zinc/11/44/46/1220114446.db2.gz AFWZEMZUCHMKKN-NHYWBVRUSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c(c2)nnn3C)C1 ZINC000966911375 1220114450 /nfs/dbraw/zinc/11/44/50/1220114450.db2.gz AFWZEMZUCHMKKN-NHYWBVRUSA-N 1 2 347.850 2.161 20 30 EEEDLO Cc1nnccc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1C ZINC000967264468 1220362361 /nfs/dbraw/zinc/36/23/61/1220362361.db2.gz LMYQUZARIHYVDN-LIRRHRJNSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1nnccc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1C ZINC000967264468 1220362365 /nfs/dbraw/zinc/36/23/65/1220362365.db2.gz LMYQUZARIHYVDN-LIRRHRJNSA-N 1 2 349.438 2.297 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC001016023238 1225967299 /nfs/dbraw/zinc/96/72/99/1225967299.db2.gz HXVQIRIKEUDYQG-AWEZNQCLSA-N 1 2 332.791 2.293 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC001016023238 1225967302 /nfs/dbraw/zinc/96/73/02/1225967302.db2.gz HXVQIRIKEUDYQG-AWEZNQCLSA-N 1 2 332.791 2.293 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2cn(C)nc2Cl)C1 ZINC000968331754 1221215382 /nfs/dbraw/zinc/21/53/82/1221215382.db2.gz QRVKUHRRGKQKCQ-ZWNOBZJWSA-N 1 2 345.274 2.195 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2cn(C)nc2Cl)C1 ZINC000968331754 1221215385 /nfs/dbraw/zinc/21/53/85/1221215385.db2.gz QRVKUHRRGKQKCQ-ZWNOBZJWSA-N 1 2 345.274 2.195 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc(Cl)cn2)C1 ZINC000968366023 1221243920 /nfs/dbraw/zinc/24/39/20/1221243920.db2.gz QZBCYPFUOBTLFY-MFKMUULPSA-N 1 2 331.247 2.116 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc(Cl)cn2)C1 ZINC000968366023 1221243923 /nfs/dbraw/zinc/24/39/23/1221243923.db2.gz QZBCYPFUOBTLFY-MFKMUULPSA-N 1 2 331.247 2.116 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c3c(nn2C)CCC3)C1 ZINC000968539055 1221387307 /nfs/dbraw/zinc/38/73/07/1221387307.db2.gz LJPRTTPGRCDNEU-ABAIWWIYSA-N 1 2 336.867 2.102 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c3c(nn2C)CCC3)C1 ZINC000968539055 1221387310 /nfs/dbraw/zinc/38/73/10/1221387310.db2.gz LJPRTTPGRCDNEU-ABAIWWIYSA-N 1 2 336.867 2.102 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2Cc2cn(C)nn2)CC1 ZINC000969013805 1221739022 /nfs/dbraw/zinc/73/90/22/1221739022.db2.gz GTUFFVGOKNVLJZ-SFHVURJKSA-N 1 2 345.491 2.422 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2Cc2cn(C)nn2)CC1 ZINC000969013805 1221739024 /nfs/dbraw/zinc/73/90/24/1221739024.db2.gz GTUFFVGOKNVLJZ-SFHVURJKSA-N 1 2 345.491 2.422 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001007024302 1222064951 /nfs/dbraw/zinc/06/49/51/1222064951.db2.gz FRILGGUQBZAZJM-MRXNPFEDSA-N 1 2 336.395 2.053 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001007024302 1222064954 /nfs/dbraw/zinc/06/49/54/1222064954.db2.gz FRILGGUQBZAZJM-MRXNPFEDSA-N 1 2 336.395 2.053 20 30 EEEDLO CCc1nc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)co1 ZINC001007162975 1222115282 /nfs/dbraw/zinc/11/52/82/1222115282.db2.gz VBIHADVEPQQTOA-QGZVFWFLSA-N 1 2 337.423 2.483 20 30 EEEDLO CCc1nc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)co1 ZINC001007162975 1222115284 /nfs/dbraw/zinc/11/52/84/1222115284.db2.gz VBIHADVEPQQTOA-QGZVFWFLSA-N 1 2 337.423 2.483 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3=CCOCC3)C2)c(F)c1 ZINC001007186274 1222122951 /nfs/dbraw/zinc/12/29/51/1222122951.db2.gz BBUNXWCAVXDKBT-QGZVFWFLSA-N 1 2 343.402 2.125 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C3=CCOCC3)C2)c(F)c1 ZINC001007186274 1222122953 /nfs/dbraw/zinc/12/29/53/1222122953.db2.gz BBUNXWCAVXDKBT-QGZVFWFLSA-N 1 2 343.402 2.125 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001007360407 1222189692 /nfs/dbraw/zinc/18/96/92/1222189692.db2.gz RDNWZDDIGBSCRP-KSZLIROESA-N 1 2 347.434 2.283 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cn2)C1 ZINC001007360407 1222189695 /nfs/dbraw/zinc/18/96/95/1222189695.db2.gz RDNWZDDIGBSCRP-KSZLIROESA-N 1 2 347.434 2.283 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2cc3n(n2)CCC3)C1 ZINC001007467004 1222244090 /nfs/dbraw/zinc/24/40/90/1222244090.db2.gz TWSBQXIYPSAUGM-KRWDZBQOSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2cc3n(n2)CCC3)C1 ZINC001007467004 1222244094 /nfs/dbraw/zinc/24/40/94/1222244094.db2.gz TWSBQXIYPSAUGM-KRWDZBQOSA-N 1 2 349.438 2.095 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)[nH]1 ZINC001008567374 1222932098 /nfs/dbraw/zinc/93/20/98/1222932098.db2.gz BXOOCTDRHCRPQG-SFHVURJKSA-N 1 2 336.439 2.272 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)[nH]1 ZINC001008567374 1222932102 /nfs/dbraw/zinc/93/21/02/1222932102.db2.gz BXOOCTDRHCRPQG-SFHVURJKSA-N 1 2 336.439 2.272 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001008579457 1222940985 /nfs/dbraw/zinc/94/09/85/1222940985.db2.gz CRBAJHIBZVMILC-UXLLHSPISA-N 1 2 349.500 2.432 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nc(C)sc2C)C1 ZINC001008579457 1222940989 /nfs/dbraw/zinc/94/09/89/1222940989.db2.gz CRBAJHIBZVMILC-UXLLHSPISA-N 1 2 349.500 2.432 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCOCC2)C1 ZINC001010809297 1223917834 /nfs/dbraw/zinc/91/78/34/1223917834.db2.gz RPWUSEHCCDHLIX-CRAIPNDOSA-N 1 2 327.428 2.065 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCOCC2)C1 ZINC001010809297 1223917835 /nfs/dbraw/zinc/91/78/35/1223917835.db2.gz RPWUSEHCCDHLIX-CRAIPNDOSA-N 1 2 327.428 2.065 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001058242573 1248744131 /nfs/dbraw/zinc/74/41/31/1248744131.db2.gz FQKIPVSBQDKCCZ-ZACQAIPSSA-N 1 2 344.459 2.078 20 30 EEEDLO CC(C)n1nccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001014553944 1226764640 /nfs/dbraw/zinc/76/46/40/1226764640.db2.gz RJQZGEQEQGGHME-CYBMUJFWSA-N 1 2 343.456 2.401 20 30 EEEDLO CC(C)n1nccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001014553944 1226764645 /nfs/dbraw/zinc/76/46/45/1226764645.db2.gz RJQZGEQEQGGHME-CYBMUJFWSA-N 1 2 343.456 2.401 20 30 EEEDLO C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1Nc1ncccc1C#N ZINC001067169085 1226809218 /nfs/dbraw/zinc/80/92/18/1226809218.db2.gz REUDWZNIBWXSRV-DZGCQCFKSA-N 1 2 346.394 2.174 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccns3)C2)cc1C#N ZINC001014603743 1226830693 /nfs/dbraw/zinc/83/06/93/1226830693.db2.gz IDFGZCNOPWZAGX-AWEZNQCLSA-N 1 2 342.424 2.028 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccns3)C2)cc1C#N ZINC001014603743 1226830697 /nfs/dbraw/zinc/83/06/97/1226830697.db2.gz IDFGZCNOPWZAGX-AWEZNQCLSA-N 1 2 342.424 2.028 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001054677752 1248850011 /nfs/dbraw/zinc/85/00/11/1248850011.db2.gz FZHHMMWPNKCRFC-SKDRFNHKSA-N 1 2 326.828 2.093 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+](Cc2ccc(CNC(C)=O)cc2)CC1 ZINC001019811403 1229358743 /nfs/dbraw/zinc/35/87/43/1229358743.db2.gz HOTPQDNFQDVDPC-UHFFFAOYSA-N 1 2 343.471 2.179 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038360519 1229768463 /nfs/dbraw/zinc/76/84/63/1229768463.db2.gz PPPQOJBOPUQUQH-SQNIBIBYSA-N 1 2 327.428 2.064 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038360519 1229768468 /nfs/dbraw/zinc/76/84/68/1229768468.db2.gz PPPQOJBOPUQUQH-SQNIBIBYSA-N 1 2 327.428 2.064 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCC2(F)F)cc1F ZINC001038399054 1229791250 /nfs/dbraw/zinc/79/12/50/1229791250.db2.gz SYJJNOLZNUOWTK-KGLIPLIRSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCC2(F)F)cc1F ZINC001038399054 1229791251 /nfs/dbraw/zinc/79/12/51/1229791251.db2.gz SYJJNOLZNUOWTK-KGLIPLIRSA-N 1 2 337.345 2.433 20 30 EEEDLO Cc1coc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(OCC#N)cc2)c1 ZINC001038611522 1229938076 /nfs/dbraw/zinc/93/80/76/1229938076.db2.gz QAJLVXGOFIWGEY-INIZCTEOSA-N 1 2 339.395 2.495 20 30 EEEDLO Cc1coc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(OCC#N)cc2)c1 ZINC001038611522 1229938077 /nfs/dbraw/zinc/93/80/77/1229938077.db2.gz QAJLVXGOFIWGEY-INIZCTEOSA-N 1 2 339.395 2.495 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C2CCC2)nn1 ZINC001039376238 1230562490 /nfs/dbraw/zinc/56/24/90/1230562490.db2.gz OWHMASDAGKELIQ-CABCVRRESA-N 1 2 349.866 2.435 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C2CCC2)nn1 ZINC001039376238 1230562493 /nfs/dbraw/zinc/56/24/93/1230562493.db2.gz OWHMASDAGKELIQ-CABCVRRESA-N 1 2 349.866 2.435 20 30 EEEDLO C#CCOc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CC#CC)cc1 ZINC001039940044 1230917499 /nfs/dbraw/zinc/91/74/99/1230917499.db2.gz BGOUFBIMEQLBQC-KDURUIRLSA-N 1 2 336.435 2.401 20 30 EEEDLO C#CCOc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC#CC)cc1 ZINC001039940044 1230917504 /nfs/dbraw/zinc/91/75/04/1230917504.db2.gz BGOUFBIMEQLBQC-KDURUIRLSA-N 1 2 336.435 2.401 20 30 EEEDLO C[C@@H](CC(=O)N1CC[C@H](Nc2ncccc2C#N)[C@@H]1C)n1cc[nH+]c1 ZINC001040260298 1231138132 /nfs/dbraw/zinc/13/81/32/1231138132.db2.gz IJZWOXHXMZCXSB-DZKIICNBSA-N 1 2 338.415 2.202 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ncnn3CC)C2)C1 ZINC001041624829 1231628400 /nfs/dbraw/zinc/62/84/00/1231628400.db2.gz DDGHVSMHLQMDSE-MOPGFXCFSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@]2(CC[N@H+](Cc3ncnn3CC)C2)C1 ZINC001041624829 1231628402 /nfs/dbraw/zinc/62/84/02/1231628402.db2.gz DDGHVSMHLQMDSE-MOPGFXCFSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nc(C)no4)[C@@H]3C2)C1 ZINC001042224960 1231967590 /nfs/dbraw/zinc/96/75/90/1231967590.db2.gz TYHGCGQLLZSXHT-HUUCEWRRSA-N 1 2 330.432 2.157 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4nc(C)no4)[C@@H]3C2)C1 ZINC001042224960 1231967592 /nfs/dbraw/zinc/96/75/92/1231967592.db2.gz TYHGCGQLLZSXHT-HUUCEWRRSA-N 1 2 330.432 2.157 20 30 EEEDLO C[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001042642653 1232127813 /nfs/dbraw/zinc/12/78/13/1232127813.db2.gz BMBVRXCGBBWLJU-SJKOYZFVSA-N 1 2 346.394 2.084 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001043578823 1232494928 /nfs/dbraw/zinc/49/49/28/1232494928.db2.gz HOLSWHDQAFYQEQ-MIGQKNRLSA-N 1 2 330.432 2.025 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC2CCCC2)C1 ZINC001095982568 1233053481 /nfs/dbraw/zinc/05/34/81/1233053481.db2.gz FGCBDTOPAUJUIL-IKGGRYGDSA-N 1 2 345.487 2.123 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC2CCCC2)C1 ZINC001095982568 1233053486 /nfs/dbraw/zinc/05/34/86/1233053486.db2.gz FGCBDTOPAUJUIL-IKGGRYGDSA-N 1 2 345.487 2.123 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2c(C)nnn2CC)C1 ZINC001095983168 1233062491 /nfs/dbraw/zinc/06/24/91/1233062491.db2.gz TVZKFJINDYQRRW-PMPSAXMXSA-N 1 2 343.475 2.184 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2c(C)nnn2CC)C1 ZINC001095983168 1233062496 /nfs/dbraw/zinc/06/24/96/1233062496.db2.gz TVZKFJINDYQRRW-PMPSAXMXSA-N 1 2 343.475 2.184 20 30 EEEDLO CC1(NC(=O)[C@H]2CCOC2)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001045379362 1233705999 /nfs/dbraw/zinc/70/59/99/1233705999.db2.gz RPSMRZNGPRBVNX-HNNXBMFYSA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1C#N ZINC001045735205 1233937762 /nfs/dbraw/zinc/93/77/62/1233937762.db2.gz KSQCIDZGIBKJJB-XWIAVFTESA-N 1 2 340.402 2.422 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1C#N ZINC001045735205 1233937764 /nfs/dbraw/zinc/93/77/64/1233937764.db2.gz KSQCIDZGIBKJJB-XWIAVFTESA-N 1 2 340.402 2.422 20 30 EEEDLO Cc1ccc(C(=O)/C=C/C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000900060297 1233992293 /nfs/dbraw/zinc/99/22/93/1233992293.db2.gz DOWKLOYPYWHHDG-GFOMBABLSA-N 1 2 344.455 2.207 20 30 EEEDLO Cc1nc(N2CCC3(CCN(C(=O)[C@@H](C)C#N)CC3)CC2)cc[nH+]1 ZINC001067627152 1249340304 /nfs/dbraw/zinc/34/03/04/1249340304.db2.gz NZCQWMWTYDANEL-AWEZNQCLSA-N 1 2 327.432 2.154 20 30 EEEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(C#CCO)c1 ZINC000900339185 1234236882 /nfs/dbraw/zinc/23/68/82/1234236882.db2.gz DQVBXOQVNXBZNH-QGZVFWFLSA-N 1 2 325.412 2.072 20 30 EEEDLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C#N)ccc2C)C1 ZINC000900429536 1234346725 /nfs/dbraw/zinc/34/67/25/1234346725.db2.gz NKMXWDNRMBYSEB-OAHLLOKOSA-N 1 2 329.400 2.080 20 30 EEEDLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C#N)ccc2C)C1 ZINC000900429536 1234346728 /nfs/dbraw/zinc/34/67/28/1234346728.db2.gz NKMXWDNRMBYSEB-OAHLLOKOSA-N 1 2 329.400 2.080 20 30 EEEDLO C[C@H](CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)C1CCCCC1 ZINC001046070036 1234404353 /nfs/dbraw/zinc/40/43/53/1234404353.db2.gz NQIGQQXMJKDKTH-MJGOQNOKSA-N 1 2 346.519 2.335 20 30 EEEDLO C[C@]1(NC(=O)c2cncs2)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046172640 1234514440 /nfs/dbraw/zinc/51/44/40/1234514440.db2.gz FBMCRXMDYIXKIW-HNNXBMFYSA-N 1 2 332.454 2.471 20 30 EEEDLO C[C@]1(NC(=O)c2cncs2)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046172640 1234514444 /nfs/dbraw/zinc/51/44/44/1234514444.db2.gz FBMCRXMDYIXKIW-HNNXBMFYSA-N 1 2 332.454 2.471 20 30 EEEDLO Cc1nc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(C#N)cc3F)C2)co1 ZINC001046256605 1234600751 /nfs/dbraw/zinc/60/07/51/1234600751.db2.gz WSPWKKOXULFDEL-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3F)C2)co1 ZINC001046256605 1234600754 /nfs/dbraw/zinc/60/07/54/1234600754.db2.gz WSPWKKOXULFDEL-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2c3c(nn2C)CCCC3)C1 ZINC001046354750 1234699038 /nfs/dbraw/zinc/69/90/38/1234699038.db2.gz GKSVTDKSZSEMRJ-QGZVFWFLSA-N 1 2 336.867 2.246 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2c3c(nn2C)CCCC3)C1 ZINC001046354750 1234699040 /nfs/dbraw/zinc/69/90/40/1234699040.db2.gz GKSVTDKSZSEMRJ-QGZVFWFLSA-N 1 2 336.867 2.246 20 30 EEEDLO C[C@]1(NC(=O)c2[nH]nc3c2CCC3)CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001046440984 1234807477 /nfs/dbraw/zinc/80/74/77/1234807477.db2.gz ZEDCBHHEGAPQNK-FQEVSTJZSA-N 1 2 349.438 2.164 20 30 EEEDLO C[C@]1(NC(=O)c2[nH]nc3c2CCC3)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046440984 1234807480 /nfs/dbraw/zinc/80/74/80/1234807480.db2.gz ZEDCBHHEGAPQNK-FQEVSTJZSA-N 1 2 349.438 2.164 20 30 EEEDLO C[C@H](CC(=O)N1CCC[C@H](C2CCN(CC#N)CC2)C1)n1cc[nH+]c1 ZINC001047257701 1235762961 /nfs/dbraw/zinc/76/29/61/1235762961.db2.gz OWMLCJGGCARAPS-AEFFLSMTSA-N 1 2 343.475 2.308 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](C2CCN(CC#N)CC2)C1 ZINC001047258191 1235763903 /nfs/dbraw/zinc/76/39/03/1235763903.db2.gz WVQGIDBPXXXWOQ-NVXWUHKLSA-N 1 2 343.475 2.062 20 30 EEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](C2CCN(CC#N)CC2)C1 ZINC001047258191 1235763908 /nfs/dbraw/zinc/76/39/08/1235763908.db2.gz WVQGIDBPXXXWOQ-NVXWUHKLSA-N 1 2 343.475 2.062 20 30 EEEDLO CCOC(=O)[C@H](CCc1ccccc1)[NH2+]C1CCN(CC#N)CC1 ZINC000901536212 1235935422 /nfs/dbraw/zinc/93/54/22/1235935422.db2.gz LCFOZESZNIQWFM-SFHVURJKSA-N 1 2 329.444 2.128 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2nnc(OCC)s2)[C@@H](C)C1 ZINC001054964913 1249485545 /nfs/dbraw/zinc/48/55/45/1249485545.db2.gz AEGFRRIYUAJZIS-RYUDHWBXSA-N 1 2 338.477 2.086 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096203292 1236154492 /nfs/dbraw/zinc/15/44/92/1236154492.db2.gz LXPMONUCBPJSHL-CVEARBPZSA-N 1 2 344.459 2.032 20 30 EEEDLO CCCCCC(=O)NCC[NH+]1CCN(c2cc(C)ncc2C#N)CC1 ZINC001096265533 1236818294 /nfs/dbraw/zinc/81/82/94/1236818294.db2.gz HTSPONIOJBNNPU-UHFFFAOYSA-N 1 2 343.475 2.080 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056457121 1239390852 /nfs/dbraw/zinc/39/08/52/1239390852.db2.gz YTUWWJWDHUNDRF-BBWFWOEESA-N 1 2 344.459 2.077 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001056536390 1239433911 /nfs/dbraw/zinc/43/39/11/1239433911.db2.gz ZFWOAOSEFGTGOJ-SJORKVTESA-N 1 2 344.459 2.209 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H](Nc3nc(N(C)C)nc(C)[nH+]3)C2)CC1 ZINC001056767100 1239772459 /nfs/dbraw/zinc/77/24/59/1239772459.db2.gz XRRDCDYDRTYRQI-OAHLLOKOSA-N 1 2 344.463 2.005 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COc3ccccc3O1)C2 ZINC001096480654 1240079231 /nfs/dbraw/zinc/07/92/31/1240079231.db2.gz JZNKBEUXJDBHMY-FHIRATQRSA-N 1 2 348.830 2.300 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COc3ccccc3O1)C2 ZINC001096480654 1240079238 /nfs/dbraw/zinc/07/92/38/1240079238.db2.gz JZNKBEUXJDBHMY-FHIRATQRSA-N 1 2 348.830 2.300 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCO1 ZINC001049308740 1240507274 /nfs/dbraw/zinc/50/72/74/1240507274.db2.gz SCERBWVPFLTHPF-MCIONIFRSA-N 1 2 343.265 2.139 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCO1 ZINC001049308740 1240507277 /nfs/dbraw/zinc/50/72/77/1240507277.db2.gz SCERBWVPFLTHPF-MCIONIFRSA-N 1 2 343.265 2.139 20 30 EEEDLO CN(c1ccncc1C#N)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001057066987 1241572569 /nfs/dbraw/zinc/57/25/69/1241572569.db2.gz BRURVTSDAQHNLZ-HNNXBMFYSA-N 1 2 346.394 2.180 20 30 EEEDLO Cc1nc(NC2CCC(N(C)C(=O)c3c[nH]c(C#N)c3)CC2)cc[nH+]1 ZINC001067907778 1249940050 /nfs/dbraw/zinc/94/00/50/1249940050.db2.gz MAJFWEIYTOTGMJ-UHFFFAOYSA-N 1 2 338.415 2.480 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(C)c(C)n2)C1 ZINC001073697200 1242665796 /nfs/dbraw/zinc/66/57/96/1242665796.db2.gz BALVYVZXQPINCT-HNNXBMFYSA-N 1 2 337.851 2.272 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C)c(C)n2)C1 ZINC001073697200 1242665804 /nfs/dbraw/zinc/66/58/04/1242665804.db2.gz BALVYVZXQPINCT-HNNXBMFYSA-N 1 2 337.851 2.272 20 30 EEEDLO N#Cc1ccc(N[C@@H]2CCCCCN(C(=O)Cc3c[nH+]c[nH]3)C2)nc1 ZINC001049973192 1242937556 /nfs/dbraw/zinc/93/75/56/1242937556.db2.gz YWNZJKHYLWQGDE-OAHLLOKOSA-N 1 2 338.415 2.102 20 30 EEEDLO C[C@H](CC(=O)NC[C@H](Nc1ncccc1C#N)C1CC1)n1cc[nH+]c1 ZINC001096820482 1243329331 /nfs/dbraw/zinc/32/93/31/1243329331.db2.gz TYGXFOVTVZZVFS-CJNGLKHVSA-N 1 2 338.415 2.108 20 30 EEEDLO CC(C)c1nsc(C[NH+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)CC2)n1 ZINC001050464087 1243657135 /nfs/dbraw/zinc/65/71/35/1243657135.db2.gz KXGNVTCDRPBVDD-CYBMUJFWSA-N 1 2 347.488 2.246 20 30 EEEDLO Cc1cc(N2CCC[C@H](CNC(=O)[C@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001097298745 1243930402 /nfs/dbraw/zinc/93/04/02/1243930402.db2.gz UGAKKXMPLRZXDF-TZMCWYRMSA-N 1 2 327.432 2.155 20 30 EEEDLO COC1CC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)C1 ZINC001097293257 1243961755 /nfs/dbraw/zinc/96/17/55/1243961755.db2.gz VNNDEUMWSLWOPK-MYZTUTKLSA-N 1 2 339.439 2.205 20 30 EEEDLO COC1CC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)C1 ZINC001097293257 1243961765 /nfs/dbraw/zinc/96/17/65/1243961765.db2.gz VNNDEUMWSLWOPK-MYZTUTKLSA-N 1 2 339.439 2.205 20 30 EEEDLO C=CC(C)(C)C(=O)NC1CCC(Nc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001097637260 1244463944 /nfs/dbraw/zinc/46/39/44/1244463944.db2.gz CTMBXLJKPIBMCG-UHFFFAOYSA-N 1 2 346.479 2.298 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C(F)(F)F)no1 ZINC001050970007 1244754676 /nfs/dbraw/zinc/75/46/76/1244754676.db2.gz ZHKKAEVLXQUDFF-NSHDSACASA-N 1 2 347.337 2.090 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C(F)(F)F)no1 ZINC001050970007 1244754684 /nfs/dbraw/zinc/75/46/84/1244754684.db2.gz ZHKKAEVLXQUDFF-NSHDSACASA-N 1 2 347.337 2.090 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccnc1C1CC1 ZINC001051003298 1244826962 /nfs/dbraw/zinc/82/69/62/1244826962.db2.gz MCZJZPNUGKJEFZ-MRXNPFEDSA-N 1 2 329.444 2.356 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cccnc1C1CC1 ZINC001051003298 1244826972 /nfs/dbraw/zinc/82/69/72/1244826972.db2.gz MCZJZPNUGKJEFZ-MRXNPFEDSA-N 1 2 329.444 2.356 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(F)c(F)c1F ZINC001051090413 1244967968 /nfs/dbraw/zinc/96/79/68/1244967968.db2.gz BGPMSIAPTQOESF-LLVKDONJSA-N 1 2 328.334 2.111 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(F)c(F)c1F ZINC001051090413 1244967975 /nfs/dbraw/zinc/96/79/75/1244967975.db2.gz BGPMSIAPTQOESF-LLVKDONJSA-N 1 2 328.334 2.111 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(N2CCCC2)c1 ZINC001051180025 1245093609 /nfs/dbraw/zinc/09/36/09/1245093609.db2.gz ANNWOUOOCSIOQW-IBGZPJMESA-N 1 2 343.471 2.294 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(N2CCCC2)c1 ZINC001051180025 1245093616 /nfs/dbraw/zinc/09/36/16/1245093616.db2.gz ANNWOUOOCSIOQW-IBGZPJMESA-N 1 2 343.471 2.294 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c[nH]nc1-c1ccsc1 ZINC001051185756 1245362523 /nfs/dbraw/zinc/36/25/23/1245362523.db2.gz YQAINWFBLOXEBV-CQSZACIVSA-N 1 2 346.456 2.145 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c[nH]nc1-c1ccsc1 ZINC001051185756 1245362528 /nfs/dbraw/zinc/36/25/28/1245362528.db2.gz YQAINWFBLOXEBV-CQSZACIVSA-N 1 2 346.456 2.145 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001052865551 1245410459 /nfs/dbraw/zinc/41/04/59/1245410459.db2.gz ARYJKFFYISTDOM-SJORKVTESA-N 1 2 346.475 2.230 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001101167765 1245475542 /nfs/dbraw/zinc/47/55/42/1245475542.db2.gz SPEFYYUVLRWPNH-QAPCUYQASA-N 1 2 331.464 2.106 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001101167765 1245475545 /nfs/dbraw/zinc/47/55/45/1245475545.db2.gz SPEFYYUVLRWPNH-QAPCUYQASA-N 1 2 331.464 2.106 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+]([C@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001101167728 1245475618 /nfs/dbraw/zinc/47/56/18/1245475618.db2.gz QXFPGWIFZLMDFR-LBTNJELSSA-N 1 2 331.464 2.175 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@H+]([C@H](C)c3nnc(CC)[nH]3)C[C@@]2(C)C1 ZINC001101167728 1245475622 /nfs/dbraw/zinc/47/56/22/1245475622.db2.gz QXFPGWIFZLMDFR-LBTNJELSSA-N 1 2 331.464 2.175 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001051315220 1245530164 /nfs/dbraw/zinc/53/01/64/1245530164.db2.gz YDECMBGOBLRWSQ-ZFWWWQNUSA-N 1 2 346.475 2.216 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001052953081 1245543517 /nfs/dbraw/zinc/54/35/17/1245543517.db2.gz XHBGUXXDYICJQZ-CABCVRRESA-N 1 2 340.427 2.125 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CC)C[C@@]2(C)C1 ZINC001101337571 1245682484 /nfs/dbraw/zinc/68/24/84/1245682484.db2.gz DVMKYLUCLIPOHJ-MDZRGWNJSA-N 1 2 345.491 2.181 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CC)C[C@@]2(C)C1 ZINC001101337571 1245682489 /nfs/dbraw/zinc/68/24/89/1245682489.db2.gz DVMKYLUCLIPOHJ-MDZRGWNJSA-N 1 2 345.491 2.181 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCOC3(C[NH+](CC4CC(F)(F)C4)C3)C2)C1 ZINC001053417749 1246307682 /nfs/dbraw/zinc/30/76/82/1246307682.db2.gz CMFJNZXCXDHWSW-UHFFFAOYSA-N 1 2 340.414 2.301 20 30 EEEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC=CCCC3)C2)CC1 ZINC001052041125 1246410260 /nfs/dbraw/zinc/41/02/60/1246410260.db2.gz SMFZDWNOZMUPGS-PMACEKPBSA-N 1 2 343.515 2.365 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnc(CCC)c3)C2)CC1 ZINC001052041766 1246411574 /nfs/dbraw/zinc/41/15/74/1246411574.db2.gz QHEIIZWYJMFAHQ-IBGZPJMESA-N 1 2 342.487 2.052 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(F)cc(C)cc3F)C2)CC1 ZINC001052048882 1246420588 /nfs/dbraw/zinc/42/05/88/1246420588.db2.gz FJQVQRLNCFDOSL-OAHLLOKOSA-N 1 2 349.425 2.291 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3occc3C(C)C)C2)CC1 ZINC001052068605 1246439418 /nfs/dbraw/zinc/43/94/18/1246439418.db2.gz KSFYMCFHQFPIHL-MRXNPFEDSA-N 1 2 331.460 2.421 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C3(C)CCC(C)CC3)C2)CC1 ZINC001052123377 1246509269 /nfs/dbraw/zinc/50/92/69/1246509269.db2.gz GFWNBDKPLODGPU-FDYSRKEFSA-N 1 2 331.504 2.055 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3csc(C4CC4)n3)C2)CC1 ZINC001052123466 1246509579 /nfs/dbraw/zinc/50/95/79/1246509579.db2.gz JEKBQCFHNWTLRF-OAHLLOKOSA-N 1 2 346.500 2.039 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn(C3CCC3)c1)O2 ZINC001053599689 1246512874 /nfs/dbraw/zinc/51/28/74/1246512874.db2.gz XHXHBYCZGASLAI-KRWDZBQOSA-N 1 2 344.459 2.147 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(C)onc1C1CC1)O2 ZINC001053629240 1246558972 /nfs/dbraw/zinc/55/89/72/1246558972.db2.gz JXRIAGXCDITKTO-HNNXBMFYSA-N 1 2 345.443 2.400 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc3[nH]ccc3c1)O2 ZINC001053655799 1246598539 /nfs/dbraw/zinc/59/85/39/1246598539.db2.gz RRTRSPHZWMZNNU-MRXNPFEDSA-N 1 2 325.412 2.317 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(CC(C)C)c[nH]1)O2 ZINC001053689995 1246656353 /nfs/dbraw/zinc/65/63/53/1246656353.db2.gz CZBNUMGLBHFDGF-MRXNPFEDSA-N 1 2 331.460 2.362 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(N(C)C)cc1)O2 ZINC001053693841 1246664076 /nfs/dbraw/zinc/66/40/76/1246664076.db2.gz JZJPFERJJSLCLB-SFHVURJKSA-N 1 2 343.471 2.292 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(OCC)cc1)O2 ZINC001053694725 1246665922 /nfs/dbraw/zinc/66/59/22/1246665922.db2.gz XZBWTHXLLKQTTJ-KRWDZBQOSA-N 1 2 330.428 2.235 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)O2 ZINC001053702971 1246682172 /nfs/dbraw/zinc/68/21/72/1246682172.db2.gz DCIKDLFOTWJWBB-OKZBNKHCSA-N 1 2 344.430 2.465 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3nccc(C)c3c1)CO2 ZINC001053817704 1246835008 /nfs/dbraw/zinc/83/50/08/1246835008.db2.gz QXLLFLHOEJOADL-KRWDZBQOSA-N 1 2 349.434 2.140 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1COC2(C[NH+](CC=C(C)C)C2)C1 ZINC001053829409 1246858745 /nfs/dbraw/zinc/85/87/45/1246858745.db2.gz FFNRMEADXMEOEU-MRXNPFEDSA-N 1 2 329.444 2.213 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)c1cc(C)ccn1)CO2 ZINC001053845005 1246897101 /nfs/dbraw/zinc/89/71/01/1246897101.db2.gz OBIFOFZPSDPVJB-INIZCTEOSA-N 1 2 343.471 2.203 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(-n3cccc3)c1)CO2 ZINC001053859177 1246922647 /nfs/dbraw/zinc/92/26/47/1246922647.db2.gz CKZBVDRLNLUHOD-GOSISDBHSA-N 1 2 349.434 2.074 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C(C)(C)C)on1)CO2 ZINC001053868430 1246939517 /nfs/dbraw/zinc/93/95/17/1246939517.db2.gz LSKQCOJIRAXMGX-ZDUSSCGKSA-N 1 2 333.432 2.121 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(OCC)c1)CO2 ZINC001053941501 1247041136 /nfs/dbraw/zinc/04/11/36/1247041136.db2.gz WISHXNQZIBKNIZ-MRXNPFEDSA-N 1 2 330.428 2.235 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1scnc1C1CC1)CO2 ZINC001053950103 1247056131 /nfs/dbraw/zinc/05/61/31/1247056131.db2.gz UVTIFWHVMLTATM-CYBMUJFWSA-N 1 2 333.457 2.170 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1n[nH]c(C)c1C ZINC001054035139 1247187075 /nfs/dbraw/zinc/18/70/75/1247187075.db2.gz HNYCFDBVAZAGGA-SFHVURJKSA-N 1 2 336.439 2.207 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1n[nH]c(C)c1C ZINC001054035139 1247187077 /nfs/dbraw/zinc/18/70/77/1247187077.db2.gz HNYCFDBVAZAGGA-SFHVURJKSA-N 1 2 336.439 2.207 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C2CC2)nn1C ZINC001054043456 1247211673 /nfs/dbraw/zinc/21/16/73/1247211673.db2.gz YNXZZDMZQAFFBA-SFHVURJKSA-N 1 2 348.450 2.087 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C2CC2)nn1C ZINC001054043456 1247211680 /nfs/dbraw/zinc/21/16/80/1247211680.db2.gz YNXZZDMZQAFFBA-SFHVURJKSA-N 1 2 348.450 2.087 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C2CC2)nn1C ZINC001054043455 1247212808 /nfs/dbraw/zinc/21/28/08/1247212808.db2.gz YNXZZDMZQAFFBA-GOSISDBHSA-N 1 2 348.450 2.087 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C2CC2)nn1C ZINC001054043455 1247212817 /nfs/dbraw/zinc/21/28/17/1247212817.db2.gz YNXZZDMZQAFFBA-GOSISDBHSA-N 1 2 348.450 2.087 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(C(F)F)[nH]n1)C2 ZINC001054195921 1247682730 /nfs/dbraw/zinc/68/27/30/1247682730.db2.gz PREUBKSTKDOVQA-QGZVFWFLSA-N 1 2 336.386 2.299 20 30 EEEDLO CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(C(F)F)[nH]n1)C2 ZINC001054195921 1247682734 /nfs/dbraw/zinc/68/27/34/1247682734.db2.gz PREUBKSTKDOVQA-QGZVFWFLSA-N 1 2 336.386 2.299 20 30 EEEDLO C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(C3CC3)[nH]n1)C2 ZINC001054202550 1247701954 /nfs/dbraw/zinc/70/19/54/1247701954.db2.gz HQWGUTHOIHJWIO-LJQANCHMSA-N 1 2 326.444 2.239 20 30 EEEDLO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(C3CC3)[nH]n1)C2 ZINC001054202550 1247701958 /nfs/dbraw/zinc/70/19/58/1247701958.db2.gz HQWGUTHOIHJWIO-LJQANCHMSA-N 1 2 326.444 2.239 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(CC)c[nH]c3=O)cc2C1 ZINC001054287615 1248014374 /nfs/dbraw/zinc/01/43/74/1248014374.db2.gz SPDYIBJBDQLORO-UHFFFAOYSA-N 1 2 335.407 2.228 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(CC)c[nH]c3=O)cc2C1 ZINC001054287615 1248014381 /nfs/dbraw/zinc/01/43/81/1248014381.db2.gz SPDYIBJBDQLORO-UHFFFAOYSA-N 1 2 335.407 2.228 20 30 EEEDLO Cc1cc(N(C)C2CCN(C(=O)[C@@H](C)C#N)CC2)nc(C2CC2)[nH+]1 ZINC001068653540 1251467267 /nfs/dbraw/zinc/46/72/67/1251467267.db2.gz LZWMZRYMIQDATE-LBPRGKRZSA-N 1 2 327.432 2.249 20 30 EEEDLO C[C@@H]1[C@@H](Nc2cccc(F)c2C#N)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001068961685 1251998843 /nfs/dbraw/zinc/99/88/43/1251998843.db2.gz BOZCURYUEAZCJZ-ABAIWWIYSA-N 1 2 327.363 2.064 20 30 EEEDLO C[C@@H]1C[C@H](Nc2cccc(F)c2C#N)CN1C(=O)Cc1c[nH+]cn1C ZINC001069120602 1252292718 /nfs/dbraw/zinc/29/27/18/1252292718.db2.gz ASUXPAMCFHKDIA-OLZOCXBDSA-N 1 2 341.390 2.075 20 30 EEEDLO CC#CCCCC(=O)NC1(CC)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001069646156 1253085657 /nfs/dbraw/zinc/08/56/57/1253085657.db2.gz CHUKIFIMIFQGMG-UHFFFAOYSA-N 1 2 344.459 2.033 20 30 EEEDLO C=C(C)CC[N@@H+]1Cc2cnn(C3CCN(C(=O)[C@@H](C)OC)CC3)c2C1 ZINC001070343318 1253549231 /nfs/dbraw/zinc/54/92/31/1253549231.db2.gz PAUVBOWSCCUMFE-OAHLLOKOSA-N 1 2 346.475 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C=CCn1c(CCC(C)(C)C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001356047694 1338787568 /nfs/dbraw/zinc/78/75/68/1338787568.db2.gz WQGBMTGRJYQKDX-UHFFFAOYSA-N 1 2 335.496 2.211 20 30 EEEDLO N#Cc1c(N)sc2c1CCN(C(=O)Nc1ccc3[nH+]ccn3c1)C2 ZINC001671886569 1356430873 /nfs/dbraw/zinc/43/08/73/1356430873.db2.gz UDTUGEKJSAEIJS-UHFFFAOYSA-N 1 2 338.396 2.440 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000425609262 1367107092 /nfs/dbraw/zinc/10/70/92/1367107092.db2.gz KAUIIDMCSIVVIC-ZWKOTPCHSA-N 1 2 337.427 2.078 20 30 EEEDLO C#CCCCC(=O)N1CCC[N@@H+](Cc2c(C)nn(C)c2Cl)CC1 ZINC001195644982 1368561340 /nfs/dbraw/zinc/56/13/40/1368561340.db2.gz FJRQLLHDHDNPKL-UHFFFAOYSA-N 1 2 336.867 2.220 20 30 EEEDLO C#CCCCC(=O)N1CCC[N@H+](Cc2c(C)nn(C)c2Cl)CC1 ZINC001195644982 1368561343 /nfs/dbraw/zinc/56/13/43/1368561343.db2.gz FJRQLLHDHDNPKL-UHFFFAOYSA-N 1 2 336.867 2.220 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC1(C)CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110574196 1368872898 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C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC001375124927 1377393983 /nfs/dbraw/zinc/39/39/83/1377393983.db2.gz BMCYNKDPSWFAKU-LBPRGKRZSA-N 1 2 337.851 2.469 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(-n2cnnc2)cc1 ZINC001378169446 1379750981 /nfs/dbraw/zinc/75/09/81/1379750981.db2.gz QBBWRGVHNTUFJU-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(-n2cnnc2)cc1 ZINC001378169446 1379750985 /nfs/dbraw/zinc/75/09/85/1379750985.db2.gz QBBWRGVHNTUFJU-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC001390970602 1388927086 /nfs/dbraw/zinc/92/70/86/1388927086.db2.gz VWAPGSJKKQKMMZ-OAHLLOKOSA-N 1 2 326.799 2.320 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC001390970602 1388927090 /nfs/dbraw/zinc/92/70/90/1388927090.db2.gz VWAPGSJKKQKMMZ-OAHLLOKOSA-N 1 2 326.799 2.320 20 30 EEEDLO C=CCCC(=O)NCC[NH+]1CCN(Cc2ccc(C)c(OC)c2)CC1 ZINC001752362099 1406285308 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C=CCCC(=O)NC[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC001756715340 1409244992 /nfs/dbraw/zinc/24/49/92/1409244992.db2.gz YRSKJQGXQKQCAJ-LSDHHAIUSA-N 1 2 346.475 2.059 20 30 EEEDLO C=CCC1(C(=O)N(C)C2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)CCCC1 ZINC001756744374 1409276714 /nfs/dbraw/zinc/27/67/14/1409276714.db2.gz CCUTYMLHXILHMX-UHFFFAOYSA-N 1 2 344.459 2.194 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001757266139 1409605601 /nfs/dbraw/zinc/60/56/01/1409605601.db2.gz VHNMFWZWQSAOPD-NUEKZKHPSA-N 1 2 346.475 2.344 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001757266139 1409605608 /nfs/dbraw/zinc/60/56/08/1409605608.db2.gz VHNMFWZWQSAOPD-NUEKZKHPSA-N 1 2 346.475 2.344 20 30 EEEDLO C=CCCCC(=O)NCCOCCN(C)c1nc(C)[nH+]c(C)c1C ZINC001115249069 1410998367 /nfs/dbraw/zinc/99/83/67/1410998367.db2.gz SJYFEYCXPSXDRH-UHFFFAOYSA-N 1 2 334.464 2.327 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3coc(C)n3)[C@@H]2CC)nc1 ZINC001087802343 782276619 /nfs/dbraw/zinc/27/66/19/782276619.db2.gz KOFZXFWYYZRJAL-FUHWJXTLSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3coc(C)n3)[C@@H]2CC)nc1 ZINC001087802343 782276629 /nfs/dbraw/zinc/27/66/29/782276629.db2.gz KOFZXFWYYZRJAL-FUHWJXTLSA-N 1 2 338.411 2.142 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC(NC(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC000997556896 790281132 /nfs/dbraw/zinc/28/11/32/790281132.db2.gz MVYGVLSWTNKROY-UHFFFAOYSA-N 1 2 327.428 2.304 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)C[C@H](O)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001125272450 756976316 /nfs/dbraw/zinc/97/63/16/756976316.db2.gz RHBYUICJEBAHGG-SJORKVTESA-N 1 2 348.491 2.260 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC(C)C)NC(C)=O)C1 ZINC001211495149 757089892 /nfs/dbraw/zinc/08/98/92/757089892.db2.gz GDUQCRKXZSZGRH-DAXOMENPSA-N 1 2 343.899 2.116 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC(C)C)NC(C)=O)C1 ZINC001211495149 757089898 /nfs/dbraw/zinc/08/98/98/757089898.db2.gz GDUQCRKXZSZGRH-DAXOMENPSA-N 1 2 343.899 2.116 20 30 EEEDLO C=CCCC(=O)N(CCN(C)c1[nH+]cnc2c1cnn2C)C(C)C ZINC001125421608 758116774 /nfs/dbraw/zinc/11/67/74/758116774.db2.gz NNLVNCOQQVOKOS-UHFFFAOYSA-N 1 2 330.436 2.003 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N(CCN(C)c1nc(C)[nH+]c(C)c1C)C(C)C ZINC001125488367 759579173 /nfs/dbraw/zinc/57/91/73/759579173.db2.gz MGWXRAUPGKUXCN-IBGZPJMESA-N 1 2 348.491 2.402 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(CC)n2)CCO1 ZINC001104349622 759636538 /nfs/dbraw/zinc/63/65/38/759636538.db2.gz JCECHNNRLCEHIX-OAHLLOKOSA-N 1 2 346.475 2.271 20 30 EEEDLO N#Cc1ccc(NC2(CNC(=O)CCc3[nH]cc[nH+]3)CCCC2)nc1 ZINC001104386847 760046171 /nfs/dbraw/zinc/04/61/71/760046171.db2.gz RYAPZMAYSWPMSC-UHFFFAOYSA-N 1 2 338.415 2.150 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(-c4ccoc4)c3)[C@H]2C1 ZINC001083242993 760337955 /nfs/dbraw/zinc/33/79/55/760337955.db2.gz HOXSOSAGLLPDMR-RBUKOAKNSA-N 1 2 336.391 2.105 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-c4ccoc4)c3)[C@H]2C1 ZINC001083242993 760337966 /nfs/dbraw/zinc/33/79/66/760337966.db2.gz HOXSOSAGLLPDMR-RBUKOAKNSA-N 1 2 336.391 2.105 20 30 EEEDLO C#Cc1cncc(C(=O)N(CCN(C)c2cc[nH+]c(C)n2)C(C)C)c1 ZINC001125670529 760993507 /nfs/dbraw/zinc/99/35/07/760993507.db2.gz MTUYUJGBCJRBPS-UHFFFAOYSA-N 1 2 337.427 2.148 20 30 EEEDLO Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)nn1 ZINC001024435270 761355606 /nfs/dbraw/zinc/35/56/06/761355606.db2.gz RERYAQKTWSFCHA-SFHVURJKSA-N 1 2 349.438 2.441 20 30 EEEDLO Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)nn1 ZINC001024435270 761355616 /nfs/dbraw/zinc/35/56/16/761355616.db2.gz RERYAQKTWSFCHA-SFHVURJKSA-N 1 2 349.438 2.441 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(CC)c(C)s3)[C@H]2C1 ZINC001083269183 761510038 /nfs/dbraw/zinc/51/00/38/761510038.db2.gz PNEOXTWDOZLLNC-JKSUJKDBSA-N 1 2 332.469 2.167 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(CC)c(C)s3)[C@H]2C1 ZINC001083269183 761510043 /nfs/dbraw/zinc/51/00/43/761510043.db2.gz PNEOXTWDOZLLNC-JKSUJKDBSA-N 1 2 332.469 2.167 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cccc2nc[nH]c21 ZINC001087311714 761588628 /nfs/dbraw/zinc/58/86/28/761588628.db2.gz SZKDVTGFJQNQQX-FHLIZLRMSA-N 1 2 336.439 2.415 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cccc2nc[nH]c21 ZINC001087311714 761588633 /nfs/dbraw/zinc/58/86/33/761588633.db2.gz SZKDVTGFJQNQQX-FHLIZLRMSA-N 1 2 336.439 2.415 20 30 EEEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3sc(C(C)(C)C)nc3C)[C@H]2C1 ZINC001083290700 765219705 /nfs/dbraw/zinc/21/97/05/765219705.db2.gz QFIOIPGEGZTHRC-UONOGXRCSA-N 1 2 349.500 2.460 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3sc(C(C)(C)C)nc3C)[C@H]2C1 ZINC001083290700 765219710 /nfs/dbraw/zinc/21/97/10/765219710.db2.gz QFIOIPGEGZTHRC-UONOGXRCSA-N 1 2 349.500 2.460 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001104788409 765288079 /nfs/dbraw/zinc/28/80/79/765288079.db2.gz JYDIIDFXTKSEAI-SJCJKPOMSA-N 1 2 334.468 2.107 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H](C)N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001104851685 765425066 /nfs/dbraw/zinc/42/50/66/765425066.db2.gz WWDJYDJBZSDPDQ-OCCSQVGLSA-N 1 2 340.431 2.122 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H](C)N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001104851685 765425076 /nfs/dbraw/zinc/42/50/76/765425076.db2.gz WWDJYDJBZSDPDQ-OCCSQVGLSA-N 1 2 340.431 2.122 20 30 EEEDLO C=CCOc1ccc(CC(=O)NC2C[NH+](C[C@@H]3CC[C@H](C)O3)C2)cc1 ZINC001031450067 768911234 /nfs/dbraw/zinc/91/12/34/768911234.db2.gz LFCIIMLMMPMUAM-KXBFYZLASA-N 1 2 344.455 2.162 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc3nnn(C)c32)[C@@H]1C ZINC000994556798 768922566 /nfs/dbraw/zinc/92/25/66/768922566.db2.gz FKYSIEPDLUNPQF-GXTWGEPZSA-N 1 2 347.850 2.304 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc3nnn(C)c32)[C@@H]1C ZINC000994556798 768922572 /nfs/dbraw/zinc/92/25/72/768922572.db2.gz FKYSIEPDLUNPQF-GXTWGEPZSA-N 1 2 347.850 2.304 20 30 EEEDLO CC#CCCCC(=O)N[C@@H](C)C[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001089455791 769391881 /nfs/dbraw/zinc/39/18/81/769391881.db2.gz RGLLKNVTTZNZGJ-UONOGXRCSA-N 1 2 342.447 2.252 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](CNC(=O)CCn2cc[nH+]c2)C(C)C)n1 ZINC001105250914 769468881 /nfs/dbraw/zinc/46/88/81/769468881.db2.gz YKYUXBZXHDXUNY-MRXNPFEDSA-N 1 2 340.431 2.101 20 30 EEEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](CC)CCCCCC)C2)nn1 ZINC001105299071 769630197 /nfs/dbraw/zinc/63/01/97/769630197.db2.gz AGUYLCUPNMNBQY-MRXNPFEDSA-N 1 2 345.491 2.381 20 30 EEEDLO C=CCC1(C(=O)N2CC(n3cc(C[NH2+]C/C=C/Cl)nn3)C2)CCC1 ZINC001105322342 769710198 /nfs/dbraw/zinc/71/01/98/769710198.db2.gz LDQGJJRJHMNSFR-XBXARRHUSA-N 1 2 349.866 2.250 20 30 EEEDLO C#CCCCCC(=O)NCC[NH2+]Cc1noc(-c2ccccc2C)n1 ZINC001125950883 769749752 /nfs/dbraw/zinc/74/97/52/769749752.db2.gz CBQBLWMLKPITAA-UHFFFAOYSA-N 1 2 340.427 2.444 20 30 EEEDLO Cc1nc(NC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C)ccc1C#N ZINC001126108330 770002975 /nfs/dbraw/zinc/00/29/75/770002975.db2.gz AIADRDQDZRDHOW-HNNXBMFYSA-N 1 2 340.431 2.170 20 30 EEEDLO C[C@H](C[C@H](C)NC(=O)CCc1[nH+]ccn1C)Nc1ccc(C#N)nc1 ZINC001089525021 770105374 /nfs/dbraw/zinc/10/53/74/770105374.db2.gz TVAQQMDMVHVBTP-KGLIPLIRSA-N 1 2 340.431 2.015 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)no3)C[C@@H]2C)CC1 ZINC000942599754 782822063 /nfs/dbraw/zinc/82/20/63/782822063.db2.gz FBXDRMZHRBRSLQ-BBRMVZONSA-N 1 2 332.448 2.451 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)no3)C[C@@H]2C)CC1 ZINC000942599754 782822067 /nfs/dbraw/zinc/82/20/67/782822067.db2.gz FBXDRMZHRBRSLQ-BBRMVZONSA-N 1 2 332.448 2.451 20 30 EEEDLO N#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(Cl)s3)C2)[nH]1 ZINC001031619252 770301936 /nfs/dbraw/zinc/30/19/36/770301936.db2.gz PSIUTRNIXBWMQS-UHFFFAOYSA-N 1 2 334.832 2.463 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nc(CC)no3)C[C@H]2C)C1 ZINC000942608124 782849600 /nfs/dbraw/zinc/84/96/00/782849600.db2.gz PUEIQLZWMVGMLV-KGLIPLIRSA-N 1 2 332.448 2.315 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nc(CC)no3)C[C@H]2C)C1 ZINC000942608124 782849607 /nfs/dbraw/zinc/84/96/07/782849607.db2.gz PUEIQLZWMVGMLV-KGLIPLIRSA-N 1 2 332.448 2.315 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000075609069 790363563 /nfs/dbraw/zinc/36/35/63/790363563.db2.gz UOLSANKDBUHPFU-UHFFFAOYSA-N 1 2 331.416 2.490 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2COC[C@@H]2c2ccccc2)C1 ZINC001031785834 775636833 /nfs/dbraw/zinc/63/68/33/775636833.db2.gz KKZXTHQQMFXLCF-IAGOWNOFSA-N 1 2 334.847 2.217 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCCO3)CC2)cc1F ZINC000980981987 776254508 /nfs/dbraw/zinc/25/45/08/776254508.db2.gz QXKLYTNITKEMQC-SFHVURJKSA-N 1 2 345.418 2.301 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCCO3)CC2)cc1F ZINC000980981987 776254517 /nfs/dbraw/zinc/25/45/17/776254517.db2.gz QXKLYTNITKEMQC-SFHVURJKSA-N 1 2 345.418 2.301 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000980984726 776262367 /nfs/dbraw/zinc/26/23/67/776262367.db2.gz NNOGVLATBYQNQK-GOSISDBHSA-N 1 2 327.428 2.162 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000980984726 776262377 /nfs/dbraw/zinc/26/23/77/776262377.db2.gz NNOGVLATBYQNQK-GOSISDBHSA-N 1 2 327.428 2.162 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2coc(C)n2)C[C@H]1C ZINC000947212659 776572466 /nfs/dbraw/zinc/57/24/66/776572466.db2.gz WYVFFEZLDGCVTI-PWSUYJOCSA-N 1 2 342.237 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2coc(C)n2)C[C@H]1C ZINC000947212659 776572470 /nfs/dbraw/zinc/57/24/70/776572470.db2.gz WYVFFEZLDGCVTI-PWSUYJOCSA-N 1 2 342.237 2.474 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)C2(F)CCOCC2)CC1 ZINC000981295561 777077034 /nfs/dbraw/zinc/07/70/34/777077034.db2.gz PVRDEXMFAPNOFY-UHFFFAOYSA-N 1 2 345.418 2.111 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)C2(F)CCOCC2)CC1 ZINC000981295561 777077036 /nfs/dbraw/zinc/07/70/36/777077036.db2.gz PVRDEXMFAPNOFY-UHFFFAOYSA-N 1 2 345.418 2.111 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[N@@H+](Cc2conc2C)CC1 ZINC000981337069 777196047 /nfs/dbraw/zinc/19/60/47/777196047.db2.gz FTJJLMVDJKNYIG-UHFFFAOYSA-N 1 2 328.416 2.319 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[N@H+](Cc2conc2C)CC1 ZINC000981337069 777196053 /nfs/dbraw/zinc/19/60/53/777196053.db2.gz FTJJLMVDJKNYIG-UHFFFAOYSA-N 1 2 328.416 2.319 20 30 EEEDLO Cc1nc(NCC[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)cc[nH+]1 ZINC001063267518 790520055 /nfs/dbraw/zinc/52/00/55/790520055.db2.gz RCTSMHJLWQXTCG-AWEZNQCLSA-N 1 2 338.415 2.339 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cc(F)c[nH]3)C2)cc1F ZINC001031856387 777536835 /nfs/dbraw/zinc/53/68/35/777536835.db2.gz YGTYQERWQKJINT-UHFFFAOYSA-N 1 2 330.338 2.026 20 30 EEEDLO Cc1nnccc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000981555201 777640610 /nfs/dbraw/zinc/64/06/10/777640610.db2.gz HBZSSCQOXBTRQV-UHFFFAOYSA-N 1 2 341.440 2.066 20 30 EEEDLO Cc1nnccc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000981555201 777640617 /nfs/dbraw/zinc/64/06/17/777640617.db2.gz HBZSSCQOXBTRQV-UHFFFAOYSA-N 1 2 341.440 2.066 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2ccc3n[nH]cc3c2)CC1 ZINC000981608940 777771414 /nfs/dbraw/zinc/77/14/14/777771414.db2.gz JLLUYPWRLLFHBC-UHFFFAOYSA-N 1 2 332.835 2.392 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2ccc3n[nH]cc3c2)CC1 ZINC000981608940 777771422 /nfs/dbraw/zinc/77/14/22/777771422.db2.gz JLLUYPWRLLFHBC-UHFFFAOYSA-N 1 2 332.835 2.392 20 30 EEEDLO C[C@@H]1OCC[C@@]1(C)C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000981675023 777960821 /nfs/dbraw/zinc/96/08/21/777960821.db2.gz CMELCNYJXCPKCJ-OXJNMPFZSA-N 1 2 341.455 2.408 20 30 EEEDLO C[C@@H]1OCC[C@@]1(C)C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000981675023 777960826 /nfs/dbraw/zinc/96/08/26/777960826.db2.gz CMELCNYJXCPKCJ-OXJNMPFZSA-N 1 2 341.455 2.408 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091390161 790580681 /nfs/dbraw/zinc/58/06/81/790580681.db2.gz FUCZHOARZGCWGD-MCIONIFRSA-N 1 2 342.447 2.272 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NC[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091391828 790583183 /nfs/dbraw/zinc/58/31/83/790583183.db2.gz NQUWUECZVQRJLP-RFQIPJPRSA-N 1 2 342.447 2.128 20 30 EEEDLO CCCc1cc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)[nH]n1 ZINC001031888754 778683507 /nfs/dbraw/zinc/68/35/07/778683507.db2.gz KNPPGRYBDZYNML-UHFFFAOYSA-N 1 2 337.427 2.096 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1nc(C)c(C)o1 ZINC001028198112 778859076 /nfs/dbraw/zinc/85/90/76/778859076.db2.gz YAENOZDRICOTDS-RYRKJORJSA-N 1 2 347.459 2.353 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1nc(C)c(C)o1 ZINC001028198112 778859081 /nfs/dbraw/zinc/85/90/81/778859081.db2.gz YAENOZDRICOTDS-RYRKJORJSA-N 1 2 347.459 2.353 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1nc2ccccn2c1F ZINC001028242056 779583276 /nfs/dbraw/zinc/58/32/76/779583276.db2.gz AJJDGGDTKNAOIZ-GFCCVEGCSA-N 1 2 336.798 2.420 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nc2ccccn2c1F ZINC001028242056 779583280 /nfs/dbraw/zinc/58/32/80/779583280.db2.gz AJJDGGDTKNAOIZ-GFCCVEGCSA-N 1 2 336.798 2.420 20 30 EEEDLO Cc1nc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)cs1 ZINC001031921078 779720988 /nfs/dbraw/zinc/72/09/88/779720988.db2.gz XBIXWPFZOVUKEW-UHFFFAOYSA-N 1 2 332.454 2.247 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@H]1CC[C@@H](F)C1 ZINC001031929134 779951119 /nfs/dbraw/zinc/95/11/19/779951119.db2.gz BTVLFPMEBIAKES-FUHWJXTLSA-N 1 2 332.394 2.363 20 30 EEEDLO CCc1ncoc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031964934 780872625 /nfs/dbraw/zinc/87/26/25/780872625.db2.gz ONWGFQLNAWRFRJ-UHFFFAOYSA-N 1 2 341.386 2.089 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000941911263 781326200 /nfs/dbraw/zinc/32/62/00/781326200.db2.gz ZAUJCYBAIQKKRA-IBGZPJMESA-N 1 2 346.475 2.016 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N(C)CCCN(C)c1cc[nH+]c(C)n1 ZINC001112147185 781329128 /nfs/dbraw/zinc/32/91/28/781329128.db2.gz INNSBWBJMDNLCT-GOSISDBHSA-N 1 2 334.464 2.299 20 30 EEEDLO C=CCOc1ccccc1C(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001030542212 790917053 /nfs/dbraw/zinc/91/70/53/790917053.db2.gz TVGSQGZSTGVPTD-INIZCTEOSA-N 1 2 344.455 2.481 20 30 EEEDLO CCn1nc(C)cc1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031999699 781905892 /nfs/dbraw/zinc/90/58/92/781905892.db2.gz FFDBJGYDBNNMIF-UHFFFAOYSA-N 1 2 343.456 2.006 20 30 EEEDLO C=C(C)C(=O)OCCNc1ccc(C[NH+]2CCOCC2)cc1OC ZINC001168076255 783277803 /nfs/dbraw/zinc/27/78/03/783277803.db2.gz GLIDVAHIVYJITK-UHFFFAOYSA-N 1 2 334.416 2.059 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCCCC[C@@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001088281959 783354438 /nfs/dbraw/zinc/35/44/38/783354438.db2.gz WXSXAROXIBKTLV-UONOGXRCSA-N 1 2 347.463 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2(C3CC3)CCOCC2)C1 ZINC001033293442 783396492 /nfs/dbraw/zinc/39/64/92/783396492.db2.gz MDFRWQRMYMIUCQ-OAHLLOKOSA-N 1 2 326.868 2.478 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(C3CC3)CCOCC2)C1 ZINC001033293442 783396497 /nfs/dbraw/zinc/39/64/97/783396497.db2.gz MDFRWQRMYMIUCQ-OAHLLOKOSA-N 1 2 326.868 2.478 20 30 EEEDLO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(-c4ccn(C)c4)[nH]n3)[C@@H]2C1 ZINC001075866518 783448536 /nfs/dbraw/zinc/44/85/36/783448536.db2.gz HGFYSDFRHQUTBF-MAUKXSAKSA-N 1 2 339.443 2.138 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001131946264 783508723 /nfs/dbraw/zinc/50/87/23/783508723.db2.gz IHTLKEGOZWXINY-CABCVRRESA-N 1 2 347.459 2.225 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2noc3c2CCCC3)C1 ZINC001131946264 783508731 /nfs/dbraw/zinc/50/87/31/783508731.db2.gz IHTLKEGOZWXINY-CABCVRRESA-N 1 2 347.459 2.225 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ncoc2C(C)C)C1 ZINC001131947700 783512746 /nfs/dbraw/zinc/51/27/46/783512746.db2.gz XVGMHSAIPDOZEV-CABCVRRESA-N 1 2 335.448 2.470 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001131947700 783512755 /nfs/dbraw/zinc/51/27/55/783512755.db2.gz XVGMHSAIPDOZEV-CABCVRRESA-N 1 2 335.448 2.470 20 30 EEEDLO C=CCCC(=O)N1CCC(OC2C[NH+](CCOCC(C)C)C2)CC1 ZINC001105696827 783827975 /nfs/dbraw/zinc/82/79/75/783827975.db2.gz GAJRQYAEENXVPX-UHFFFAOYSA-N 1 2 338.492 2.317 20 30 EEEDLO C#CCC1(C(=O)NCC[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)CCC1 ZINC001129141979 784252717 /nfs/dbraw/zinc/25/27/17/784252717.db2.gz AMWWKZPQNNMODA-ZDUSSCGKSA-N 1 2 332.448 2.328 20 30 EEEDLO C=CCCC(=O)N1CCC(OC2C[NH+](CCOC3CCC3)C2)CC1 ZINC001105697497 784365509 /nfs/dbraw/zinc/36/55/09/784365509.db2.gz YGJBWQVSIKNIBN-UHFFFAOYSA-N 1 2 336.476 2.214 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(CC(C)C)s2)C1 ZINC001035397101 784442800 /nfs/dbraw/zinc/44/28/00/784442800.db2.gz VTIBQZHNBPUBCJ-OAHLLOKOSA-N 1 2 334.485 2.401 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccc(CC(C)C)s2)C1 ZINC001035397101 784442805 /nfs/dbraw/zinc/44/28/05/784442805.db2.gz VTIBQZHNBPUBCJ-OAHLLOKOSA-N 1 2 334.485 2.401 20 30 EEEDLO C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2ccc(C#N)cn2)C1)n1cc[nH+]c1 ZINC001091517431 791049036 /nfs/dbraw/zinc/04/90/36/791049036.db2.gz JEJFAKUPFRFPQN-BPUTZDHNSA-N 1 2 338.415 2.108 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C(F)F)cc2F)C1 ZINC001035554142 784724725 /nfs/dbraw/zinc/72/47/25/784724725.db2.gz APYHJJJGJYWTPJ-ZDUSSCGKSA-N 1 2 340.345 2.217 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C(F)F)cc2F)C1 ZINC001035554142 784724733 /nfs/dbraw/zinc/72/47/33/784724733.db2.gz APYHJJJGJYWTPJ-ZDUSSCGKSA-N 1 2 340.345 2.217 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106042540 791058032 /nfs/dbraw/zinc/05/80/32/791058032.db2.gz VWNMDCQYCLPTAU-AWEZNQCLSA-N 1 2 334.464 2.400 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(OC)c(OC)cc2C)C1 ZINC001035606873 784841236 /nfs/dbraw/zinc/84/12/36/784841236.db2.gz JVHXLRPIWYRELT-HNNXBMFYSA-N 1 2 348.443 2.019 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(OC)c(OC)cc2C)C1 ZINC001035606873 784841244 /nfs/dbraw/zinc/84/12/44/784841244.db2.gz JVHXLRPIWYRELT-HNNXBMFYSA-N 1 2 348.443 2.019 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCc3[nH]ncc31)CC2 ZINC001035705483 784986427 /nfs/dbraw/zinc/98/64/27/784986427.db2.gz DNBTUVSWKGQQLY-HNNXBMFYSA-N 1 2 328.460 2.330 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCn3ccnc3C1)CC2 ZINC001035735393 785043850 /nfs/dbraw/zinc/04/38/50/785043850.db2.gz VDXIWNIZILYBIB-HNNXBMFYSA-N 1 2 348.878 2.122 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc(Cl)n(C)n1)CC2 ZINC001035750188 785107864 /nfs/dbraw/zinc/10/78/64/785107864.db2.gz WGABFWMANXZPNQ-UHFFFAOYSA-N 1 2 343.258 2.364 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccnc(N(C)C)c1)CC2 ZINC001035806948 785202627 /nfs/dbraw/zinc/20/26/27/785202627.db2.gz FXRAASGLLCUBIT-UHFFFAOYSA-N 1 2 348.878 2.438 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3ccccc3n2C)[C@H](O)C1 ZINC001090528246 785270367 /nfs/dbraw/zinc/27/03/67/785270367.db2.gz IAJQIGBBRMBRMQ-RHSMWYFYSA-N 1 2 347.846 2.096 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3n2C)[C@H](O)C1 ZINC001090528246 785270371 /nfs/dbraw/zinc/27/03/71/785270371.db2.gz IAJQIGBBRMBRMQ-RHSMWYFYSA-N 1 2 347.846 2.096 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000946001845 785278961 /nfs/dbraw/zinc/27/89/61/785278961.db2.gz OPRXHSASJXSUHX-LSDHHAIUSA-N 1 2 344.459 2.004 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2O)c1 ZINC001032287348 785454039 /nfs/dbraw/zinc/45/40/39/785454039.db2.gz DZTGMXIYRXUKOR-IRXDYDNUSA-N 1 2 333.391 2.363 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2O)c1 ZINC001032287348 785454043 /nfs/dbraw/zinc/45/40/43/785454043.db2.gz DZTGMXIYRXUKOR-IRXDYDNUSA-N 1 2 333.391 2.363 20 30 EEEDLO CC(C)Cc1nc(-c2nn[nH]n2)c(N=NC2C[C@@H](C)[N@@H+](C3CC3)C2)o1 ZINC000820108992 785794546 /nfs/dbraw/zinc/79/45/46/785794546.db2.gz XXIKOSHIVLWSQG-SNVBAGLBSA-N 1 2 344.423 2.078 20 30 EEEDLO CC(C)Cc1nc(-c2nn[nH]n2)c(N=NC2C[C@@H](C)[N@H+](C3CC3)C2)o1 ZINC000820108992 785794551 /nfs/dbraw/zinc/79/45/51/785794551.db2.gz XXIKOSHIVLWSQG-SNVBAGLBSA-N 1 2 344.423 2.078 20 30 EEEDLO CC(C)Cc1nc(-c2nn[nH]n2)c(N=NC2C[C@H](C)[N@@H+](C3CC3)C2)o1 ZINC000820108991 785794580 /nfs/dbraw/zinc/79/45/80/785794580.db2.gz XXIKOSHIVLWSQG-JTQLQIEISA-N 1 2 344.423 2.078 20 30 EEEDLO CC(C)Cc1nc(-c2nn[nH]n2)c(N=NC2C[C@H](C)[N@H+](C3CC3)C2)o1 ZINC000820108991 785794587 /nfs/dbraw/zinc/79/45/87/785794587.db2.gz XXIKOSHIVLWSQG-JTQLQIEISA-N 1 2 344.423 2.078 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](OCC)C3CC3)CC2)C1 ZINC001105708753 786190714 /nfs/dbraw/zinc/19/07/14/786190714.db2.gz XVZOWSXYIQABGK-GOSISDBHSA-N 1 2 336.476 2.069 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CCC(F)(F)CC2)[C@@H](O)C1 ZINC001090598573 787188143 /nfs/dbraw/zinc/18/81/43/787188143.db2.gz YAKGUDWKINOMEV-OLZOCXBDSA-N 1 2 336.810 2.116 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CCC(F)(F)CC2)[C@@H](O)C1 ZINC001090598573 787188146 /nfs/dbraw/zinc/18/81/46/787188146.db2.gz YAKGUDWKINOMEV-OLZOCXBDSA-N 1 2 336.810 2.116 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC/C=C\CNc1[nH+]cnc2c1cnn2C ZINC001107464765 787317498 /nfs/dbraw/zinc/31/74/98/787317498.db2.gz XNHGDFCQOQWBOP-FMFIFOJESA-N 1 2 328.420 2.050 20 30 EEEDLO Cc1nsc(NCCCN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1C#N ZINC001109644252 805818131 /nfs/dbraw/zinc/81/81/31/805818131.db2.gz ZIRGPGKLWFLSMF-NSHDSACASA-N 1 2 346.460 2.186 20 30 EEEDLO Cc1nsc(NCCCN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1C#N ZINC001109644252 805818139 /nfs/dbraw/zinc/81/81/39/805818139.db2.gz ZIRGPGKLWFLSMF-NSHDSACASA-N 1 2 346.460 2.186 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001062331006 787906114 /nfs/dbraw/zinc/90/61/14/787906114.db2.gz XTLBEYKZKHFONI-OAHLLOKOSA-N 1 2 332.448 2.196 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001062324909 787908405 /nfs/dbraw/zinc/90/84/05/787908405.db2.gz QQNPIZVWXFJTKM-CQSZACIVSA-N 1 2 332.448 2.052 20 30 EEEDLO CCCC(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC001107689879 788070168 /nfs/dbraw/zinc/07/01/68/788070168.db2.gz ZPOQZOXIFCMYIB-IBGZPJMESA-N 1 2 345.443 2.096 20 30 EEEDLO CCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC001107689879 788070174 /nfs/dbraw/zinc/07/01/74/788070174.db2.gz ZPOQZOXIFCMYIB-IBGZPJMESA-N 1 2 345.443 2.096 20 30 EEEDLO CC(C)CC(=O)NC[C@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107703266 788100166 /nfs/dbraw/zinc/10/01/66/788100166.db2.gz XTCQLEYQEQOWRD-LJQANCHMSA-N 1 2 329.444 2.311 20 30 EEEDLO CC(C)CC(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107703266 788100170 /nfs/dbraw/zinc/10/01/70/788100170.db2.gz XTCQLEYQEQOWRD-LJQANCHMSA-N 1 2 329.444 2.311 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@@H](CNc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001090268843 788869108 /nfs/dbraw/zinc/86/91/08/788869108.db2.gz CFYQOEDOCZRBMF-HOCLYGCPSA-N 1 2 332.448 2.274 20 30 EEEDLO CC1(C)C[C@H]1C(=O)NC[C@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107876122 788995415 /nfs/dbraw/zinc/99/54/15/788995415.db2.gz HIQYMJAVENQPOF-FXAWDEMLSA-N 1 2 341.455 2.311 20 30 EEEDLO CC1(C)C[C@H]1C(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107876122 788995423 /nfs/dbraw/zinc/99/54/23/788995423.db2.gz HIQYMJAVENQPOF-FXAWDEMLSA-N 1 2 341.455 2.311 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001060265674 789236932 /nfs/dbraw/zinc/23/69/32/789236932.db2.gz VGGJPWLQDKJDGU-BZUAXINKSA-N 1 2 344.459 2.224 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001060265674 789236937 /nfs/dbraw/zinc/23/69/37/789236937.db2.gz VGGJPWLQDKJDGU-BZUAXINKSA-N 1 2 344.459 2.224 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCO[C@H](C)CC(C)C)C1 ZINC001107938246 789407713 /nfs/dbraw/zinc/40/77/13/789407713.db2.gz MCAODWCEJVYTIC-AEFFLSMTSA-N 1 2 326.481 2.221 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCO[C@H](C)CC(C)C)C1 ZINC001107938246 789407719 /nfs/dbraw/zinc/40/77/19/789407719.db2.gz MCAODWCEJVYTIC-AEFFLSMTSA-N 1 2 326.481 2.221 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091024983 789472931 /nfs/dbraw/zinc/47/29/31/789472931.db2.gz IAQMPVUWGFXJFM-TZMCWYRMSA-N 1 2 346.479 2.107 20 30 EEEDLO C=CCCOCCCCC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001127129657 789589851 /nfs/dbraw/zinc/58/98/51/789589851.db2.gz WHAUQOVLXFWUOM-ZDUSSCGKSA-N 1 2 326.466 2.068 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)nc1 ZINC001060287672 789630118 /nfs/dbraw/zinc/63/01/18/789630118.db2.gz IUFKVOCYSJAMBC-MRXNPFEDSA-N 1 2 338.415 2.033 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2coc(C)n2)CC1 ZINC001006125484 789724892 /nfs/dbraw/zinc/72/48/92/789724892.db2.gz ZVSKSTFKECXGCY-ROUUACIJSA-N 1 2 347.459 2.387 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)c(Cl)n1C ZINC001032434621 789767461 /nfs/dbraw/zinc/76/74/61/789767461.db2.gz OJAXRWQDUKDTCP-QWRGUYRKSA-N 1 2 326.227 2.254 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)c(Cl)n1C ZINC001032434621 789767465 /nfs/dbraw/zinc/76/74/65/789767465.db2.gz OJAXRWQDUKDTCP-QWRGUYRKSA-N 1 2 326.227 2.254 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc3sc(N(C)C)nc3s2)C1 ZINC000923584428 789813097 /nfs/dbraw/zinc/81/30/97/789813097.db2.gz WEJIJBXTGNLQON-NSHDSACASA-N 1 2 348.497 2.251 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3sc(N(C)C)nc3s2)C1 ZINC000923584428 789813101 /nfs/dbraw/zinc/81/31/01/789813101.db2.gz WEJIJBXTGNLQON-NSHDSACASA-N 1 2 348.497 2.251 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn([C@@H](C)COC)nc2C)C1 ZINC000950096785 789878663 /nfs/dbraw/zinc/87/86/63/789878663.db2.gz CKENHSIAEXGYMU-AWEZNQCLSA-N 1 2 334.464 2.121 20 30 EEEDLO C=C(C)CONC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000845595398 789885157 /nfs/dbraw/zinc/88/51/57/789885157.db2.gz GWOMARAMMNQPBN-KRWDZBQOSA-N 1 2 347.459 2.427 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001060330753 790136631 /nfs/dbraw/zinc/13/66/31/790136631.db2.gz HIPDERARJDUQKM-BEFAXECRSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001060330864 790137283 /nfs/dbraw/zinc/13/72/83/790137283.db2.gz IMGGFKFBAZHSGD-DNVCBOLYSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001060330864 790137286 /nfs/dbraw/zinc/13/72/86/790137286.db2.gz IMGGFKFBAZHSGD-DNVCBOLYSA-N 1 2 346.475 2.299 20 30 EEEDLO C=CCCCC(=O)NC1(CNC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001063509060 791184352 /nfs/dbraw/zinc/18/43/52/791184352.db2.gz CLGCIJVYKFOOFV-UHFFFAOYSA-N 1 2 332.448 2.175 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1COc2ccccc2O1 ZINC001032562489 791390587 /nfs/dbraw/zinc/39/05/87/791390587.db2.gz VKMCUILGPRBPCZ-JYJNAYRXSA-N 1 2 342.439 2.324 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1COc2ccccc2O1 ZINC001032562489 791390599 /nfs/dbraw/zinc/39/05/99/791390599.db2.gz VKMCUILGPRBPCZ-JYJNAYRXSA-N 1 2 342.439 2.324 20 30 EEEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1csc(COC)n1)C2 ZINC001147158839 791719340 /nfs/dbraw/zinc/71/93/40/791719340.db2.gz JYTILTRHWMLKQU-UHFFFAOYSA-N 1 2 335.473 2.290 20 30 EEEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1csc(COC)n1)C2 ZINC001147158839 791719347 /nfs/dbraw/zinc/71/93/47/791719347.db2.gz JYTILTRHWMLKQU-UHFFFAOYSA-N 1 2 335.473 2.290 20 30 EEEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1nc(-c3ccco3)no1)C2 ZINC001147166233 791723827 /nfs/dbraw/zinc/72/38/27/791723827.db2.gz SCJCVCYZZOBYHS-UHFFFAOYSA-N 1 2 342.399 2.330 20 30 EEEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nc(-c3ccco3)no1)C2 ZINC001147166233 791723830 /nfs/dbraw/zinc/72/38/30/791723830.db2.gz SCJCVCYZZOBYHS-UHFFFAOYSA-N 1 2 342.399 2.330 20 30 EEEDLO C=CCCC(=O)N1CC2(C1)CC[N@H+](Cc1nc(CC3CC3)no1)C2 ZINC001147188425 791731525 /nfs/dbraw/zinc/73/15/25/791731525.db2.gz ZGQFPUDQONPFIV-UHFFFAOYSA-N 1 2 330.432 2.023 20 30 EEEDLO C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nc(CC3CC3)no1)C2 ZINC001147188425 791731530 /nfs/dbraw/zinc/73/15/30/791731530.db2.gz ZGQFPUDQONPFIV-UHFFFAOYSA-N 1 2 330.432 2.023 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001067667222 791798233 /nfs/dbraw/zinc/79/82/33/791798233.db2.gz NJRVWCPBLHNCGJ-LSDHHAIUSA-N 1 2 334.464 2.107 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001067667222 791798236 /nfs/dbraw/zinc/79/82/36/791798236.db2.gz NJRVWCPBLHNCGJ-LSDHHAIUSA-N 1 2 334.464 2.107 20 30 EEEDLO C=CC(C)(C)CC(=O)NC1(CNC(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001063863638 791850549 /nfs/dbraw/zinc/85/05/49/791850549.db2.gz JDKFOSFEWFNQGM-UHFFFAOYSA-N 1 2 332.448 2.018 20 30 EEEDLO Cc1ccccc1CCNC(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000063457635 791860425 /nfs/dbraw/zinc/86/04/25/791860425.db2.gz MIKNHLMPWJZVAV-UHFFFAOYSA-N 1 2 343.402 2.438 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC2(C1)CC[N@H+](Cc1cnns1)C2 ZINC001147631130 791890399 /nfs/dbraw/zinc/89/03/99/791890399.db2.gz OITVEDVQSPISHS-UHFFFAOYSA-N 1 2 332.473 2.341 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC2(C1)CC[N@@H+](Cc1cnns1)C2 ZINC001147631130 791890406 /nfs/dbraw/zinc/89/04/06/791890406.db2.gz OITVEDVQSPISHS-UHFFFAOYSA-N 1 2 332.473 2.341 20 30 EEEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1ncnn1C(C)C)C2 ZINC001147639962 791895314 /nfs/dbraw/zinc/89/53/14/791895314.db2.gz JHFWKZOVWCIZLF-UHFFFAOYSA-N 1 2 331.464 2.250 20 30 EEEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1ncnn1C(C)C)C2 ZINC001147639962 791895318 /nfs/dbraw/zinc/89/53/18/791895318.db2.gz JHFWKZOVWCIZLF-UHFFFAOYSA-N 1 2 331.464 2.250 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nc(CC)no1)C2 ZINC001148095010 792145342 /nfs/dbraw/zinc/14/53/42/792145342.db2.gz CMOHYNFTVGYJAW-HNNXBMFYSA-N 1 2 344.459 2.421 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nc(CC)no1)C2 ZINC001148095010 792145346 /nfs/dbraw/zinc/14/53/46/792145346.db2.gz CMOHYNFTVGYJAW-HNNXBMFYSA-N 1 2 344.459 2.421 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCc1ccncc1)C2 ZINC001109887188 806145604 /nfs/dbraw/zinc/14/56/04/806145604.db2.gz VHAJZLGSKMAMSZ-PMPSAXMXSA-N 1 2 335.835 2.072 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCc1ccncc1)C2 ZINC001109887188 806145607 /nfs/dbraw/zinc/14/56/07/806145607.db2.gz VHAJZLGSKMAMSZ-PMPSAXMXSA-N 1 2 335.835 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ZINC001064831894 793820786 /nfs/dbraw/zinc/82/07/86/793820786.db2.gz GXGXGSYQTXMAJR-HIFRSBDPSA-N 1 2 338.415 2.019 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)=C1CCCC1)c1nccn12 ZINC001092361354 793837087 /nfs/dbraw/zinc/83/70/87/793837087.db2.gz IIMXPUKPKBHXEC-KRWDZBQOSA-N 1 2 338.455 2.369 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)c(C)o1)c1nccn12 ZINC001092363951 793838861 /nfs/dbraw/zinc/83/88/61/793838861.db2.gz RNQIRHQDVLYIOJ-AWEZNQCLSA-N 1 2 326.400 2.165 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(F)c(C)c1)c1nccn12 ZINC001092388360 793884217 /nfs/dbraw/zinc/88/42/17/793884217.db2.gz HTDKEAPZZNSOTQ-MRXNPFEDSA-N 1 2 340.402 2.402 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(C)c1F)c1nccn12 ZINC001092372112 793915308 /nfs/dbraw/zinc/91/53/08/793915308.db2.gz GZUKBCRWRIBZQP-OAHLLOKOSA-N 1 2 340.402 2.402 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@@H]3C=C[C@H]1CC3)c1nccn12 ZINC001092373360 793916187 /nfs/dbraw/zinc/91/61/87/793916187.db2.gz 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335.411 2.026 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2c(C)c(C)n[nH]c2=O)[C@H]1C ZINC000993665269 796889885 /nfs/dbraw/zinc/88/98/85/796889885.db2.gz UJZIHZAGWQDXGL-CHWSQXEVSA-N 1 2 338.839 2.134 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2c(C)c(C)n[nH]c2=O)[C@H]1C ZINC000993665269 796889888 /nfs/dbraw/zinc/88/98/88/796889888.db2.gz UJZIHZAGWQDXGL-CHWSQXEVSA-N 1 2 338.839 2.134 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@]12C[C@H]1CCC2 ZINC001081963156 797042849 /nfs/dbraw/zinc/04/28/49/797042849.db2.gz JUJKXFBDELFSHQ-HALQFCHDSA-N 1 2 345.468 2.125 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@]12C[C@H]1CCC2 ZINC001081963156 797042853 /nfs/dbraw/zinc/04/28/53/797042853.db2.gz JUJKXFBDELFSHQ-HALQFCHDSA-N 1 2 345.468 2.125 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](CCC)OCC)C1 ZINC001150125589 797187717 /nfs/dbraw/zinc/18/77/17/797187717.db2.gz YXEFUVSGGNGHMP-HUUCEWRRSA-N 1 2 332.872 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](CCC)OCC)C1 ZINC001150125589 797187721 /nfs/dbraw/zinc/18/77/21/797187721.db2.gz YXEFUVSGGNGHMP-HUUCEWRRSA-N 1 2 332.872 2.151 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCCNc1cc[nH+]c(C)n1 ZINC001094996147 797196541 /nfs/dbraw/zinc/19/65/41/797196541.db2.gz JRZIEZYNCLJTOL-CVEARBPZSA-N 1 2 332.448 2.465 20 30 EEEDLO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2n[nH]c3ccc(C)cc32)[C@H](O)C1 ZINC001090390442 797763604 /nfs/dbraw/zinc/76/36/04/797763604.db2.gz HCRPMKTUAQBJLT-DLBZAZTESA-N 1 2 342.443 2.003 20 30 EEEDLO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2n[nH]c3ccc(C)cc32)[C@H](O)C1 ZINC001090390442 797763605 /nfs/dbraw/zinc/76/36/05/797763605.db2.gz HCRPMKTUAQBJLT-DLBZAZTESA-N 1 2 342.443 2.003 20 30 EEEDLO CC[C@@H](C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001083005625 797821622 /nfs/dbraw/zinc/82/16/22/797821622.db2.gz FLVPMSXWZDEYMP-JEBQAFNWSA-N 1 2 345.418 2.155 20 30 EEEDLO CC[C@@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001083005625 797821627 /nfs/dbraw/zinc/82/16/27/797821627.db2.gz FLVPMSXWZDEYMP-JEBQAFNWSA-N 1 2 345.418 2.155 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cccc4)cc3)[C@H]2C1 ZINC001083134755 797886968 /nfs/dbraw/zinc/88/69/68/797886968.db2.gz RASPRHUXFPKJQW-VQTJNVASSA-N 1 2 349.434 2.026 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cccc4)cc3)[C@H]2C1 ZINC001083134755 797886975 /nfs/dbraw/zinc/88/69/75/797886975.db2.gz RASPRHUXFPKJQW-VQTJNVASSA-N 1 2 349.434 2.026 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc(C(=O)NC)c2)[C@@H]1C ZINC000994437526 797995741 /nfs/dbraw/zinc/99/57/41/797995741.db2.gz HCRVSZVJATUGFP-BBRMVZONSA-N 1 2 349.862 2.381 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(C(=O)NC)c2)[C@@H]1C ZINC000994437526 797995745 /nfs/dbraw/zinc/99/57/45/797995745.db2.gz HCRVSZVJATUGFP-BBRMVZONSA-N 1 2 349.862 2.381 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2c(C)nn3cccnc23)[C@H]1C ZINC000994447535 798015315 /nfs/dbraw/zinc/01/53/15/798015315.db2.gz 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COc1ccc(-c2noc(C[NH2+][C@@H](C)c3cccc(C#N)c3)n2)nn1 ZINC001176051055 798337468 /nfs/dbraw/zinc/33/74/68/798337468.db2.gz ASYJKHVVRDIVKQ-NSHDSACASA-N 1 2 336.355 2.258 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[N@@H+](CC(=C)Cl)C[C@H]21 ZINC001084798249 798462963 /nfs/dbraw/zinc/46/29/63/798462963.db2.gz HHGLFVXCWLBBFS-QZTJIDSGSA-N 1 2 328.843 2.496 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[N@H+](CC(=C)Cl)C[C@H]21 ZINC001084798249 798462966 /nfs/dbraw/zinc/46/29/66/798462966.db2.gz HHGLFVXCWLBBFS-QZTJIDSGSA-N 1 2 328.843 2.496 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(C)on2)CC1 ZINC001002848537 798713512 /nfs/dbraw/zinc/71/35/12/798713512.db2.gz LPUALSLXTKHOAL-SJORKVTESA-N 1 2 333.432 2.045 20 30 EEEDLO O=C(CC#Cc1ccccc1)N1CC[C@@H]2OCC[N@@H+](CCCF)[C@@H]2C1 ZINC001177150419 798775979 /nfs/dbraw/zinc/77/59/79/798775979.db2.gz MOLUWGSCPJLQRD-MOPGFXCFSA-N 1 2 344.430 2.090 20 30 EEEDLO O=C(CC#Cc1ccccc1)N1CC[C@@H]2OCC[N@H+](CCCF)[C@@H]2C1 ZINC001177150419 798775984 /nfs/dbraw/zinc/77/59/84/798775984.db2.gz MOLUWGSCPJLQRD-MOPGFXCFSA-N 1 2 344.430 2.090 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CC[C@H](CC)O2)CC1 ZINC001002939171 798848358 /nfs/dbraw/zinc/84/83/58/798848358.db2.gz YPKLVODSIIOTTJ-UONOGXRCSA-N 1 2 345.281 2.433 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C[C@@H](OCC)C(C)C)c2C1 ZINC001128382170 799129521 /nfs/dbraw/zinc/12/95/21/799129521.db2.gz KRRGYOCLGLQESA-GOSISDBHSA-N 1 2 348.491 2.342 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C[C@@H](OCC)C(C)C)c2C1 ZINC001128382170 799129525 /nfs/dbraw/zinc/12/95/25/799129525.db2.gz KRRGYOCLGLQESA-GOSISDBHSA-N 1 2 348.491 2.342 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC(C)C)CC2)C1 ZINC001065704620 799352296 /nfs/dbraw/zinc/35/22/96/799352296.db2.gz OMFCLSGVHOJXAE-QGZVFWFLSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)CC)C2)CC1 ZINC001065688424 799360378 /nfs/dbraw/zinc/36/03/78/799360378.db2.gz HLOOXFCGDXHDNI-SJORKVTESA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CCC(C)C)CC2)C1 ZINC001065690263 799363848 /nfs/dbraw/zinc/36/38/48/799363848.db2.gz BCIZAXFEZOGIPZ-QGZVFWFLSA-N 1 2 335.492 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3CC=CCC3)CC2)C1 ZINC001065692001 799367622 /nfs/dbraw/zinc/36/76/22/799367622.db2.gz NYGMIYBDWVISEE-ZWKOTPCHSA-N 1 2 345.487 2.054 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C3CC(C)(C)C3)CC2)C1 ZINC001065692394 799368920 /nfs/dbraw/zinc/36/89/20/799368920.db2.gz QXNKQDWTDXGQPI-KRWDZBQOSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)CCC)C2)CC1 ZINC001065693911 799371681 /nfs/dbraw/zinc/37/16/81/799371681.db2.gz IKDIPEDVQLWROY-IAGOWNOFSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@H](C)CC)CC2)C1 ZINC001065711548 799408964 /nfs/dbraw/zinc/40/89/64/799408964.db2.gz NZIKMJKGNNCYAF-IAGOWNOFSA-N 1 2 335.492 2.134 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)C(C)C)C2)CC1 ZINC001065716521 799422051 /nfs/dbraw/zinc/42/20/51/799422051.db2.gz UUYUAZDXXZHIPN-MSOLQXFVSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001108055182 799449671 /nfs/dbraw/zinc/44/96/71/799449671.db2.gz JIPGYJXDLPOVPJ-FQEVSTJZSA-N 1 2 339.439 2.484 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001108055182 799449674 /nfs/dbraw/zinc/44/96/74/799449674.db2.gz JIPGYJXDLPOVPJ-FQEVSTJZSA-N 1 2 339.439 2.484 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)Cc3occc3C)c2C1 ZINC001128481746 800140478 /nfs/dbraw/zinc/14/04/78/800140478.db2.gz SGJJKUURVZPJSU-UHFFFAOYSA-N 1 2 328.416 2.035 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)Cc3occc3C)c2C1 ZINC001128481746 800140479 /nfs/dbraw/zinc/14/04/79/800140479.db2.gz SGJJKUURVZPJSU-UHFFFAOYSA-N 1 2 328.416 2.035 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CCCOC1 ZINC001085515007 800682218 /nfs/dbraw/zinc/68/22/18/800682218.db2.gz RXXWKRKQXZRCRW-IEBWSBKVSA-N 1 2 344.430 2.137 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CCCOC1 ZINC001085515007 800682222 /nfs/dbraw/zinc/68/22/22/800682222.db2.gz RXXWKRKQXZRCRW-IEBWSBKVSA-N 1 2 344.430 2.137 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CC1(F)F ZINC001085586072 800827322 /nfs/dbraw/zinc/82/73/22/800827322.db2.gz NQFVDBHKKLHMNI-GWCFXTLKSA-N 1 2 325.384 2.308 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CC1(F)F ZINC001085586072 800827327 /nfs/dbraw/zinc/82/73/27/800827327.db2.gz NQFVDBHKKLHMNI-GWCFXTLKSA-N 1 2 325.384 2.308 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C)ns1 ZINC001085600789 800858741 /nfs/dbraw/zinc/85/87/41/800858741.db2.gz CNVLXDSCLAQSEL-UAGQMJEPSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C)ns1 ZINC001085600789 800858744 /nfs/dbraw/zinc/85/87/44/800858744.db2.gz CNVLXDSCLAQSEL-UAGQMJEPSA-N 1 2 349.500 2.465 20 30 EEEDLO C=CCCC(=O)N[C@@H](C)CCCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001090061337 800870822 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335.492 2.227 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H](C)CCCCNc1[nH+]cnc2c1cnn2C ZINC001090086929 801378913 /nfs/dbraw/zinc/37/89/13/801378913.db2.gz MZFVPDSSPBLQSP-AWEZNQCLSA-N 1 2 342.447 2.110 20 30 EEEDLO CCn1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)n1 ZINC001085856456 801468083 /nfs/dbraw/zinc/46/80/83/801468083.db2.gz ZDOGBANBNLBJIZ-CYBMUJFWSA-N 1 2 343.456 2.183 20 30 EEEDLO CCn1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)n1 ZINC001085856456 801468090 /nfs/dbraw/zinc/46/80/90/801468090.db2.gz ZDOGBANBNLBJIZ-CYBMUJFWSA-N 1 2 343.456 2.183 20 30 EEEDLO Cc1c[nH]c(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)c(F)c2)n1 ZINC001085864968 801489556 /nfs/dbraw/zinc/48/95/56/801489556.db2.gz PJQNHZMYSBOZAJ-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1c[nH]c(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)c(F)c2)n1 ZINC001085864968 801489559 /nfs/dbraw/zinc/48/95/59/801489559.db2.gz PJQNHZMYSBOZAJ-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1c[nH]nc1C(=O)N(C)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033079356 801493263 /nfs/dbraw/zinc/49/32/63/801493263.db2.gz OQYMMLZVHTXENB-QGZVFWFLSA-N 1 2 340.402 2.055 20 30 EEEDLO Cc1c[nH]nc1C(=O)N(C)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033079356 801493267 /nfs/dbraw/zinc/49/32/67/801493267.db2.gz OQYMMLZVHTXENB-QGZVFWFLSA-N 1 2 340.402 2.055 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C3(C(F)(F)F)CC3)c2C1 ZINC001128504421 801535596 /nfs/dbraw/zinc/53/55/96/801535596.db2.gz PVPIMBOQTKJZPC-UHFFFAOYSA-N 1 2 342.365 2.234 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C3(C(F)(F)F)CC3)c2C1 ZINC001128504421 801535599 /nfs/dbraw/zinc/53/55/99/801535599.db2.gz PVPIMBOQTKJZPC-UHFFFAOYSA-N 1 2 342.365 2.234 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)Nc1cn[nH]c(=O)c1 ZINC001183829365 801760761 /nfs/dbraw/zinc/76/07/61/801760761.db2.gz UDDLFRYJFHULEO-INIZCTEOSA-N 1 2 337.383 2.047 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)Nc1cn[nH]c(=O)c1 ZINC001183829365 801760770 /nfs/dbraw/zinc/76/07/70/801760770.db2.gz UDDLFRYJFHULEO-INIZCTEOSA-N 1 2 337.383 2.047 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCCC12COC2 ZINC001183832329 801762028 /nfs/dbraw/zinc/76/20/28/801762028.db2.gz UOTDUQHJBBFYFS-SFHVURJKSA-N 1 2 339.439 2.304 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC12COC2 ZINC001183832329 801762035 /nfs/dbraw/zinc/76/20/35/801762035.db2.gz UOTDUQHJBBFYFS-SFHVURJKSA-N 1 2 339.439 2.304 20 30 EEEDLO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)NCCOc1cc[nH+]cc1 ZINC001183891879 801785523 /nfs/dbraw/zinc/78/55/23/801785523.db2.gz HURDNLZVTMDCOB-UHFFFAOYSA-N 1 2 334.379 2.481 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001066361921 801929624 /nfs/dbraw/zinc/92/96/24/801929624.db2.gz ULAORKLHQUJIPM-HNNXBMFYSA-N 1 2 346.475 2.360 20 30 EEEDLO CCCC#CC(=O)NCCSCc1csc(C[NH+](C)C)n1 ZINC001184276088 801971373 /nfs/dbraw/zinc/97/13/73/801971373.db2.gz MBDYQXIPWAHCHZ-UHFFFAOYSA-N 1 2 325.503 2.358 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 ZINC001004463509 802120453 /nfs/dbraw/zinc/12/04/53/802120453.db2.gz LFCDRVMVSRUTLO-GOSISDBHSA-N 1 2 341.459 2.060 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 ZINC001004463509 802120456 /nfs/dbraw/zinc/12/04/56/802120456.db2.gz LFCDRVMVSRUTLO-GOSISDBHSA-N 1 2 341.459 2.060 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC001004482840 802206001 /nfs/dbraw/zinc/20/60/01/802206001.db2.gz GIZLELGYMLCUBE-IPMKNSEASA-N 1 2 345.487 2.276 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC001004482840 802206005 /nfs/dbraw/zinc/20/60/05/802206005.db2.gz GIZLELGYMLCUBE-IPMKNSEASA-N 1 2 345.487 2.276 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)n[nH]2)C1 ZINC001033128867 802217781 /nfs/dbraw/zinc/21/77/81/802217781.db2.gz UXCVDDKNXKLRBP-SECBINFHSA-N 1 2 347.644 2.071 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)n[nH]2)C1 ZINC001033128867 802217787 /nfs/dbraw/zinc/21/77/87/802217787.db2.gz UXCVDDKNXKLRBP-SECBINFHSA-N 1 2 347.644 2.071 20 30 EEEDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1CNCC#N ZINC001184883236 802225151 /nfs/dbraw/zinc/22/51/51/802225151.db2.gz SINJUWVPYKCUKI-WBVHZDCISA-N 1 2 337.427 2.084 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cccc3[nH]ncc32)CC1 ZINC001004503627 802258448 /nfs/dbraw/zinc/25/84/48/802258448.db2.gz XJLZUAZFULPDSO-GOSISDBHSA-N 1 2 337.427 2.403 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cccc3[nH]ncc32)CC1 ZINC001004503627 802258452 /nfs/dbraw/zinc/25/84/52/802258452.db2.gz XJLZUAZFULPDSO-GOSISDBHSA-N 1 2 337.427 2.403 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCc3cccnc32)CC1 ZINC001004520979 802282207 /nfs/dbraw/zinc/28/22/07/802282207.db2.gz DECOTZNVPPOZAZ-QZTJIDSGSA-N 1 2 338.455 2.338 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCc3cccnc32)CC1 ZINC001004520979 802282212 /nfs/dbraw/zinc/28/22/12/802282212.db2.gz DECOTZNVPPOZAZ-QZTJIDSGSA-N 1 2 338.455 2.338 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2Cc3cccnc3C2)CC1 ZINC001004599538 802458152 /nfs/dbraw/zinc/45/81/52/802458152.db2.gz HZJGFQFXKNUBLM-IEBWSBKVSA-N 1 2 338.455 2.023 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2Cc3cccnc3C2)CC1 ZINC001004599538 802458156 /nfs/dbraw/zinc/45/81/56/802458156.db2.gz HZJGFQFXKNUBLM-IEBWSBKVSA-N 1 2 338.455 2.023 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001033147932 802479764 /nfs/dbraw/zinc/47/97/64/802479764.db2.gz ZUNWGMQPYISSRG-CQSZACIVSA-N 1 2 344.415 2.017 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001033147932 802479769 /nfs/dbraw/zinc/47/97/69/802479769.db2.gz ZUNWGMQPYISSRG-CQSZACIVSA-N 1 2 344.415 2.017 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(F)cc3cccnc32)C1 ZINC001108257999 802595269 /nfs/dbraw/zinc/59/52/69/802595269.db2.gz ORJNNTBPVNWYRQ-LJQANCHMSA-N 1 2 343.402 2.381 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(F)cc3cccnc32)C1 ZINC001108257999 802595274 /nfs/dbraw/zinc/59/52/74/802595274.db2.gz ORJNNTBPVNWYRQ-LJQANCHMSA-N 1 2 343.402 2.381 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnc(-c3ccoc3)s2)C1 ZINC001108262271 802759152 /nfs/dbraw/zinc/75/91/52/802759152.db2.gz NSLPQIAUUIIIKU-KRWDZBQOSA-N 1 2 347.440 2.410 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnc(-c3ccoc3)s2)C1 ZINC001108262271 802759160 /nfs/dbraw/zinc/75/91/60/802759160.db2.gz NSLPQIAUUIIIKU-KRWDZBQOSA-N 1 2 347.440 2.410 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CC(C)(C)CC(F)F)C1 ZINC001108083063 802776566 /nfs/dbraw/zinc/77/65/66/802776566.db2.gz XAFCYBSYYGNXBU-QGZVFWFLSA-N 1 2 330.419 2.288 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CC(C)(C)CC(F)F)C1 ZINC001108083063 802776571 /nfs/dbraw/zinc/77/65/71/802776571.db2.gz XAFCYBSYYGNXBU-QGZVFWFLSA-N 1 2 330.419 2.288 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCc2cccs2)[C@@H](O)C1 ZINC001100104115 803167367 /nfs/dbraw/zinc/16/73/67/803167367.db2.gz WVKFOTYXELCZGI-GJZGRUSLSA-N 1 2 342.892 2.375 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCc2cccs2)[C@@H](O)C1 ZINC001100104115 803167372 /nfs/dbraw/zinc/16/73/72/803167372.db2.gz WVKFOTYXELCZGI-GJZGRUSLSA-N 1 2 342.892 2.375 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001066560943 803203456 /nfs/dbraw/zinc/20/34/56/803203456.db2.gz BIBNFJZSWUIXJN-HUUCEWRRSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)COC[C@@H](C)c2ccccc2)C1 ZINC001108371282 803382588 /nfs/dbraw/zinc/38/25/88/803382588.db2.gz QHMPGSWGRKSBHR-XLIONFOSSA-N 1 2 346.471 2.200 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)COC[C@@H](C)c2ccccc2)C1 ZINC001108371282 803382593 /nfs/dbraw/zinc/38/25/93/803382593.db2.gz QHMPGSWGRKSBHR-XLIONFOSSA-N 1 2 346.471 2.200 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCOc2ccccc2)C1 ZINC001108380416 803406951 /nfs/dbraw/zinc/40/69/51/803406951.db2.gz QTEDMZUEGRMGCA-HXUWFJFHSA-N 1 2 344.455 2.076 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCCOc2ccccc2)C1 ZINC001108380416 803406952 /nfs/dbraw/zinc/40/69/52/803406952.db2.gz QTEDMZUEGRMGCA-HXUWFJFHSA-N 1 2 344.455 2.076 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc3ncsc3c2)C1 ZINC001108380707 803407600 /nfs/dbraw/zinc/40/76/00/803407600.db2.gz UNWLBTGULGEAQQ-KRWDZBQOSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc3ncsc3c2)C1 ZINC001108380707 803407605 /nfs/dbraw/zinc/40/76/05/803407605.db2.gz UNWLBTGULGEAQQ-KRWDZBQOSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)COc2ccc(Cl)cc2)C1 ZINC001108374973 803413568 /nfs/dbraw/zinc/41/35/68/803413568.db2.gz SKWUNWXIVOYSOD-QGZVFWFLSA-N 1 2 338.835 2.112 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)COc2ccc(Cl)cc2)C1 ZINC001108374973 803413573 /nfs/dbraw/zinc/41/35/73/803413573.db2.gz SKWUNWXIVOYSOD-QGZVFWFLSA-N 1 2 338.835 2.112 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001108411033 803502405 /nfs/dbraw/zinc/50/24/05/803502405.db2.gz WCTFSUMZAAJLDW-FZKQIMNGSA-N 1 2 338.398 2.461 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001108411033 803502406 /nfs/dbraw/zinc/50/24/06/803502406.db2.gz WCTFSUMZAAJLDW-FZKQIMNGSA-N 1 2 338.398 2.461 20 30 EEEDLO C#CCC1(C(=O)NC[C@]2(C)C[N@H+](CC#CC)CCO2)CCCCC1 ZINC001108429882 803543741 /nfs/dbraw/zinc/54/37/41/803543741.db2.gz QQLJJIHMVKVFCU-LJQANCHMSA-N 1 2 330.472 2.191 20 30 EEEDLO C#CCC1(C(=O)NC[C@]2(C)C[N@@H+](CC#CC)CCO2)CCCCC1 ZINC001108429882 803543745 /nfs/dbraw/zinc/54/37/45/803543745.db2.gz QQLJJIHMVKVFCU-LJQANCHMSA-N 1 2 330.472 2.191 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]c3ccc(F)cc32)C1 ZINC001108443533 803594497 /nfs/dbraw/zinc/59/44/97/803594497.db2.gz MEMJVMPZFPWOIW-SFHVURJKSA-N 1 2 331.391 2.314 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]c3ccc(F)cc32)C1 ZINC001108443533 803594501 /nfs/dbraw/zinc/59/45/01/803594501.db2.gz MEMJVMPZFPWOIW-SFHVURJKSA-N 1 2 331.391 2.314 20 30 EEEDLO COC(=O)[C@H](CS)[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169271760 803674524 /nfs/dbraw/zinc/67/45/24/803674524.db2.gz HUIBYBFHYKPAJC-NRXISQOPSA-N 1 2 337.441 2.216 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C3(CC(C)C)CCC3)CC2=O)C1 ZINC001108554995 804061408 /nfs/dbraw/zinc/06/14/08/804061408.db2.gz CLBSWRZUDLLZKU-MRXNPFEDSA-N 1 2 347.503 2.180 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C3(CC)CCCCC3)CC2=O)C1 ZINC001108592465 804264524 /nfs/dbraw/zinc/26/45/24/804264524.db2.gz VSNRJZNHZRFDFR-MRXNPFEDSA-N 1 2 347.503 2.324 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001108996075 804797672 /nfs/dbraw/zinc/79/76/72/804797672.db2.gz NNLATKBGYQRGGM-UONOGXRCSA-N 1 2 332.448 2.194 20 30 EEEDLO C[C@@H](CN(C)c1cccc(F)c1C#N)NC(=O)CCc1c[nH+]cn1C ZINC001109059682 804901098 /nfs/dbraw/zinc/90/10/98/804901098.db2.gz LNTRYDJFKVJWSB-ZDUSSCGKSA-N 1 2 343.406 2.005 20 30 EEEDLO Cc1nsc(N(C)C[C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)c1C#N ZINC001109253559 805189240 /nfs/dbraw/zinc/18/92/40/805189240.db2.gz DZMWLYJYHSPWNG-NEPJUHHUSA-N 1 2 346.460 2.112 20 30 EEEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC2CC2)C3)ccc1F ZINC001109251596 805193853 /nfs/dbraw/zinc/19/38/53/805193853.db2.gz BCQXDZMWQHTCJH-NEWSRXKRSA-N 1 2 337.398 2.332 20 30 EEEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC2CC2)C3)ccc1F ZINC001109251596 805193860 /nfs/dbraw/zinc/19/38/60/805193860.db2.gz BCQXDZMWQHTCJH-NEWSRXKRSA-N 1 2 337.398 2.332 20 30 EEEDLO C[C@@H](CN(C)c1ccncc1C#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001109312082 805300343 /nfs/dbraw/zinc/30/03/43/805300343.db2.gz FKEILTQRRYLDSP-LBPRGKRZSA-N 1 2 334.383 2.084 20 30 EEEDLO C=CCOCC(=O)N1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC001112704457 807051395 /nfs/dbraw/zinc/05/13/95/807051395.db2.gz WNQFTERABHXLAU-UHFFFAOYSA-N 1 2 338.835 2.066 20 30 EEEDLO C=CCOCCCC(=O)N1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC001112754184 807151497 /nfs/dbraw/zinc/15/14/97/807151497.db2.gz QMQBFGBBZPMISZ-UHFFFAOYSA-N 1 2 346.471 2.460 20 30 EEEDLO C=CCCC(=O)NC[C@H]1C[N@H+](Cc2cccc(Cl)n2)CCCO1 ZINC001149331701 807173220 /nfs/dbraw/zinc/17/32/20/807173220.db2.gz ZXHJQFHHUROKGD-HNNXBMFYSA-N 1 2 337.851 2.408 20 30 EEEDLO C=CCCC(=O)NC[C@H]1C[N@@H+](Cc2cccc(Cl)n2)CCCO1 ZINC001149331701 807173224 /nfs/dbraw/zinc/17/32/24/807173224.db2.gz ZXHJQFHHUROKGD-HNNXBMFYSA-N 1 2 337.851 2.408 20 30 EEEDLO CC[N@H+](C)[C@H](C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000787715063 807202828 /nfs/dbraw/zinc/20/28/28/807202828.db2.gz FZLAGHSGQOVEMP-ZBFHGGJFSA-N 1 2 343.427 2.174 20 30 EEEDLO CC[N@@H+](C)[C@H](C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000787715063 807202837 /nfs/dbraw/zinc/20/28/37/807202837.db2.gz FZLAGHSGQOVEMP-ZBFHGGJFSA-N 1 2 343.427 2.174 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC1CC(CNc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001112838227 807384859 /nfs/dbraw/zinc/38/48/59/807384859.db2.gz MSDWHTWCGSVYAC-XBMPDCEQSA-N 1 2 344.459 2.296 20 30 EEEDLO Cc1nc(N[C@H](C)[C@@H](C)NC(=O)CCCn2cc[nH+]c2)ccc1C#N ZINC001113078188 808060510 /nfs/dbraw/zinc/06/05/10/808060510.db2.gz YEFWBDKCOHOMCJ-ZIAGYGMSSA-N 1 2 340.431 2.244 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H](C)Nc1ncc(C#N)cc1Cl ZINC001113138720 808249660 /nfs/dbraw/zinc/24/96/60/808249660.db2.gz VGVZBEQFRHNKEO-VHSXEESVSA-N 1 2 346.822 2.186 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001113256481 808578302 /nfs/dbraw/zinc/57/83/02/808578302.db2.gz SNQIIUANLLLUEX-RYUDHWBXSA-N 1 2 334.468 2.153 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H](C)[C@H](C)Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001113280471 808610379 /nfs/dbraw/zinc/61/03/79/808610379.db2.gz FZLMNFQEQOOUJF-STQMWFEESA-N 1 2 342.447 2.415 20 30 EEEDLO Cc1cc(N[C@H](C)[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)c(C#N)cn1 ZINC001113349693 808760640 /nfs/dbraw/zinc/76/06/40/808760640.db2.gz HVSGIRVELRWMPH-CHWSQXEVSA-N 1 2 348.410 2.179 20 30 EEEDLO C[C@@H](Nc1cccc(F)c1C#N)[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001113373697 808831116 /nfs/dbraw/zinc/83/11/16/808831116.db2.gz NCBNNUPIJNWJBP-OLZOCXBDSA-N 1 2 343.406 2.369 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(Br)co2)CC1 ZINC001113405973 808916947 /nfs/dbraw/zinc/91/69/47/808916947.db2.gz NJWOHMSVYXAESU-UHFFFAOYSA-N 1 2 343.221 2.003 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@H](C)N(C)c1nc(C)[nH+]c(C)c1C ZINC001113530828 809152865 /nfs/dbraw/zinc/15/28/65/809152865.db2.gz UITIKXXGHCNHCL-SWLSCSKDSA-N 1 2 334.464 2.324 20 30 EEEDLO CCOC1(C)CC[NH+](Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 ZINC000793544878 810399169 /nfs/dbraw/zinc/39/91/69/810399169.db2.gz CMOJTNRLUUAIQX-UHFFFAOYSA-N 1 2 329.444 2.447 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3C(=O)[C@H]4CCCCC[C@H]43)C2)nc1 ZINC000793594325 810424135 /nfs/dbraw/zinc/42/41/35/810424135.db2.gz YNQUWQDCMHXRNY-IXDOHACOSA-N 1 2 340.427 2.155 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3C(=O)[C@H]4CCCCC[C@H]43)C2)nc1 ZINC000793594325 810424139 /nfs/dbraw/zinc/42/41/39/810424139.db2.gz YNQUWQDCMHXRNY-IXDOHACOSA-N 1 2 340.427 2.155 20 30 EEEDLO N#Cc1cccnc1NCC1(NC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001114181681 810546533 /nfs/dbraw/zinc/54/65/33/810546533.db2.gz STJFSCGTWSJHQN-UHFFFAOYSA-N 1 2 338.415 2.150 20 30 EEEDLO CCCC[C@H](CNc1ncc(C#N)cc1F)NC(=O)Cn1cc[nH+]c1 ZINC001114264623 810711591 /nfs/dbraw/zinc/71/15/91/810711591.db2.gz XCAINEZJAQJRAD-CQSZACIVSA-N 1 2 344.394 2.076 20 30 EEEDLO CCCC[C@H](CNc1ccc(C#N)nc1)NC(=O)CCn1cc[nH+]c1 ZINC001114294237 810789496 /nfs/dbraw/zinc/78/94/96/810789496.db2.gz VTGYPPOXUPGNBG-QGZVFWFLSA-N 1 2 340.431 2.327 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)cc(F)cc2C)[C@@H](O)C1 ZINC001090487576 811819961 /nfs/dbraw/zinc/81/99/61/811819961.db2.gz XBGGAMGUFGWNJB-GJZGRUSLSA-N 1 2 340.826 2.360 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)cc(F)cc2C)[C@@H](O)C1 ZINC001090487576 811819967 /nfs/dbraw/zinc/81/99/67/811819967.db2.gz XBGGAMGUFGWNJB-GJZGRUSLSA-N 1 2 340.826 2.360 20 30 EEEDLO C[C@@H](CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)CC(C)(C)C ZINC001131075985 812375491 /nfs/dbraw/zinc/37/54/91/812375491.db2.gz CVZNYRUYKAZWRM-ARFHVFGLSA-N 1 2 345.491 2.290 20 30 EEEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001131388517 812774156 /nfs/dbraw/zinc/77/41/56/812774156.db2.gz PLGCZXKBYTZGHA-HOTGVXAUSA-N 1 2 337.508 2.141 20 30 EEEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001131388517 812774162 /nfs/dbraw/zinc/77/41/62/812774162.db2.gz PLGCZXKBYTZGHA-HOTGVXAUSA-N 1 2 337.508 2.141 20 30 EEEDLO C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C(=O)[O-])cc1Br ZINC000381373260 971757047 /nfs/dbraw/zinc/75/70/47/971757047.db2.gz JFQGOOYTPLERGV-UHFFFAOYSA-N 1 2 339.233 2.192 20 30 EEEDLO C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C(=O)[O-])cc1Br ZINC000381373260 971757049 /nfs/dbraw/zinc/75/70/49/971757049.db2.gz JFQGOOYTPLERGV-UHFFFAOYSA-N 1 2 339.233 2.192 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCc2nc(C3CC3)no2)C1 ZINC001438196800 1090691051 /nfs/dbraw/zinc/69/10/51/1090691051.db2.gz CNRAHOHBJWPRDI-ZDUSSCGKSA-N 1 2 338.839 2.213 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCc2nc(C3CC3)no2)C1 ZINC001438196800 1090691055 /nfs/dbraw/zinc/69/10/55/1090691055.db2.gz CNRAHOHBJWPRDI-ZDUSSCGKSA-N 1 2 338.839 2.213 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1sccc1-n1ccnn1 ZINC001445759542 1091604144 /nfs/dbraw/zinc/60/41/44/1091604144.db2.gz ZGEDVYCQGVSWPA-NSHDSACASA-N 1 2 339.852 2.131 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1sccc1-n1ccnn1 ZINC001445759542 1091604152 /nfs/dbraw/zinc/60/41/52/1091604152.db2.gz ZGEDVYCQGVSWPA-NSHDSACASA-N 1 2 339.852 2.131 20 30 EEEDLO C[N@H+](CCNC(=O)[C@H]1CC12CCOCC2)Cc1ccc(C#N)cc1F ZINC001442624107 1096992479 /nfs/dbraw/zinc/99/24/79/1096992479.db2.gz BIJKACVDJAHSBB-MRXNPFEDSA-N 1 2 345.418 2.062 20 30 EEEDLO C[N@@H+](CCNC(=O)[C@H]1CC12CCOCC2)Cc1ccc(C#N)cc1F ZINC001442624107 1096992481 /nfs/dbraw/zinc/99/24/81/1096992481.db2.gz BIJKACVDJAHSBB-MRXNPFEDSA-N 1 2 345.418 2.062 20 30 EEEDLO Cc1ccc(C(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)c(=O)[nH]1 ZINC001445045818 1100227555 /nfs/dbraw/zinc/22/75/55/1100227555.db2.gz HJKVMUBKWMHXRG-UHFFFAOYSA-N 1 2 338.411 2.171 20 30 EEEDLO Cc1ccc(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)c(=O)[nH]1 ZINC001445045818 1100227563 /nfs/dbraw/zinc/22/75/63/1100227563.db2.gz HJKVMUBKWMHXRG-UHFFFAOYSA-N 1 2 338.411 2.171 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2oc(C(C)C)nc2C)C1 ZINC001446787810 1101422975 /nfs/dbraw/zinc/42/29/75/1101422975.db2.gz OWBQDUBTSAHXMV-MRXNPFEDSA-N 1 2 341.839 2.026 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2oc(C(C)C)nc2C)C1 ZINC001446787810 1101422983 /nfs/dbraw/zinc/42/29/83/1101422983.db2.gz OWBQDUBTSAHXMV-MRXNPFEDSA-N 1 2 341.839 2.026 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC([C@@H](C)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001497607744 1102740250 /nfs/dbraw/zinc/74/02/50/1102740250.db2.gz RBLFXMUIYYSLKE-DNVCBOLYSA-N 1 2 346.475 2.229 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001494707018 1104288734 /nfs/dbraw/zinc/28/87/34/1104288734.db2.gz YWNALHBKMVJPMX-KRWDZBQOSA-N 1 2 339.439 2.307 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001494707018 1104288739 /nfs/dbraw/zinc/28/87/39/1104288739.db2.gz YWNALHBKMVJPMX-KRWDZBQOSA-N 1 2 339.439 2.307 20 30 EEEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1ccc(=O)[nH]c1 ZINC001493341714 1107957953 /nfs/dbraw/zinc/95/79/53/1107957953.db2.gz MBLRIGLYHGEOTI-UHFFFAOYSA-N 1 2 342.237 2.138 20 30 EEEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1ccc(=O)[nH]c1 ZINC001493341714 1107957956 /nfs/dbraw/zinc/95/79/56/1107957956.db2.gz MBLRIGLYHGEOTI-UHFFFAOYSA-N 1 2 342.237 2.138 20 30 EEEDLO C[C@H](CNC(=O)c1ccc2[nH]nnc2c1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001506054648 1114379214 /nfs/dbraw/zinc/37/92/14/1114379214.db2.gz QYPKAYCPYOTHCN-CYBMUJFWSA-N 1 2 348.410 2.080 20 30 EEEDLO C[C@H](CNC(=O)c1ccc2[nH]nnc2c1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001506054648 1114379218 /nfs/dbraw/zinc/37/92/18/1114379218.db2.gz QYPKAYCPYOTHCN-CYBMUJFWSA-N 1 2 348.410 2.080 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@H]3C[C@@H]3C)n2Cc2cccs2)CC1 ZINC001515088680 1118934897 /nfs/dbraw/zinc/93/48/97/1118934897.db2.gz XRBXTKVOLREQRE-HOCLYGCPSA-N 1 2 341.484 2.267 20 30 EEEDLO C#CC[NH+]1CCC(OC(=O)c2cccc(S(=O)(=O)C(C)C)c2)CC1 ZINC001526629220 1120555557 /nfs/dbraw/zinc/55/55/57/1120555557.db2.gz AHLVARUCCMPEJW-UHFFFAOYSA-N 1 2 349.452 2.123 20 30 EEEDLO Cc1cc(NC(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)on1 ZINC000052801279 214147069 /nfs/dbraw/zinc/14/70/69/214147069.db2.gz RGDIQGDJNRNWND-UHFFFAOYSA-N 1 2 339.399 2.006 20 30 EEEDLO Cc1cc(NC(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)on1 ZINC000052801279 214147072 /nfs/dbraw/zinc/14/70/72/214147072.db2.gz RGDIQGDJNRNWND-UHFFFAOYSA-N 1 2 339.399 2.006 20 30 EEEDLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000054677801 214251821 /nfs/dbraw/zinc/25/18/21/214251821.db2.gz LFTBYCBKQQAJDS-CQSZACIVSA-N 1 2 325.372 2.068 20 30 EEEDLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000054677801 214251824 /nfs/dbraw/zinc/25/18/24/214251824.db2.gz LFTBYCBKQQAJDS-CQSZACIVSA-N 1 2 325.372 2.068 20 30 EEEDLO Cc1cc([C@H]2CCCN2C(=O)NCC[N@@H+]2CCOCC2(C)C)on1 ZINC000328934017 539763724 /nfs/dbraw/zinc/76/37/24/539763724.db2.gz PVUOYANYCWQQRO-CQSZACIVSA-N 1 2 336.436 2.145 20 30 EEEDLO Cc1cc([C@H]2CCCN2C(=O)NCC[N@H+]2CCOCC2(C)C)on1 ZINC000328934017 539763729 /nfs/dbraw/zinc/76/37/29/539763729.db2.gz PVUOYANYCWQQRO-CQSZACIVSA-N 1 2 336.436 2.145 20 30 EEEDLO C[C@@H]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000329194545 539768158 /nfs/dbraw/zinc/76/81/58/539768158.db2.gz URPUPYDLNSMRGA-CVEARBPZSA-N 1 2 333.480 2.278 20 30 EEEDLO Cc1nnc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c(C#N)c1C ZINC000052245857 236926394 /nfs/dbraw/zinc/92/63/94/236926394.db2.gz KWAUHFHOZPANBL-LBPRGKRZSA-N 1 2 338.415 2.197 20 30 EEEDLO COC(=O)c1ccoc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000072073620 216003730 /nfs/dbraw/zinc/00/37/30/216003730.db2.gz SBEMBHSLQWHDSL-UHFFFAOYSA-N 1 2 325.368 2.260 20 30 EEEDLO COCCN(C)c1ccc(/C=C2/CCc3c(cnn3C)C2=O)c[nH+]1 ZINC000191270110 237250777 /nfs/dbraw/zinc/25/07/77/237250777.db2.gz KYJOJYMXHGRZOJ-UVTDQMKNSA-N 1 2 326.400 2.110 20 30 EEEDLO N#CCC[C@H](NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000366225703 238246191 /nfs/dbraw/zinc/24/61/91/238246191.db2.gz SOZQMDUZCIKLBQ-ROUUACIJSA-N 1 2 342.443 2.194 20 30 EEEDLO N#CCC[C@H](NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000366225703 238246197 /nfs/dbraw/zinc/24/61/97/238246197.db2.gz SOZQMDUZCIKLBQ-ROUUACIJSA-N 1 2 342.443 2.194 20 30 EEEDLO CC(C)CN1CC[N@H+](CCC(=O)Nc2ccccc2C#N)[C@@H](C)C1=O ZINC000426216453 241238824 /nfs/dbraw/zinc/23/88/24/241238824.db2.gz QORBONDPPXYHIE-HNNXBMFYSA-N 1 2 342.443 2.076 20 30 EEEDLO CC(C)CN1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@@H](C)C1=O ZINC000426216453 241238832 /nfs/dbraw/zinc/23/88/32/241238832.db2.gz QORBONDPPXYHIE-HNNXBMFYSA-N 1 2 342.443 2.076 20 30 EEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452049705 243334779 /nfs/dbraw/zinc/33/47/79/243334779.db2.gz IVFNGQAGCRUAAU-GJZGRUSLSA-N 1 2 337.427 2.199 20 30 EEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452049705 243334786 /nfs/dbraw/zinc/33/47/86/243334786.db2.gz IVFNGQAGCRUAAU-GJZGRUSLSA-N 1 2 337.427 2.199 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000459256436 245050626 /nfs/dbraw/zinc/05/06/26/245050626.db2.gz IKQDFWVBUKRWKT-OAHLLOKOSA-N 1 2 329.448 2.410 20 30 EEEDLO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)Nc2nccs2)CC1 ZINC000079989007 217269258 /nfs/dbraw/zinc/26/92/58/217269258.db2.gz JJSCVZVKOFXVER-UHFFFAOYSA-N 1 2 341.440 2.166 20 30 EEEDLO N#Cc1ccccc1N1CCC[N@H+](CC(=O)Nc2nccs2)CC1 ZINC000079989007 217269260 /nfs/dbraw/zinc/26/92/60/217269260.db2.gz JJSCVZVKOFXVER-UHFFFAOYSA-N 1 2 341.440 2.166 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NCc2ccccc2C)n1 ZINC000491809029 246163102 /nfs/dbraw/zinc/16/31/02/246163102.db2.gz FRMJLRPRUXISER-QGZVFWFLSA-N 1 2 338.455 2.352 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NCc2ccccc2C)n1 ZINC000491809029 246163109 /nfs/dbraw/zinc/16/31/09/246163109.db2.gz FRMJLRPRUXISER-QGZVFWFLSA-N 1 2 338.455 2.352 20 30 EEEDLO Cc1nc(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)ccc1C#N ZINC000265195173 247286938 /nfs/dbraw/zinc/28/69/38/247286938.db2.gz CXCDWTFDYZHWMF-HNNXBMFYSA-N 1 2 335.411 2.176 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCCCO2)CC1 ZINC000491167613 533159645 /nfs/dbraw/zinc/15/96/45/533159645.db2.gz YYGUGHLSNJBGRH-IAGOWNOFSA-N 1 2 345.491 2.116 20 30 EEEDLO O=S1(=O)CCC2(CC[NH+](CC#Cc3ccc(F)cc3)CC2)CC1 ZINC000428693621 296478087 /nfs/dbraw/zinc/47/80/87/296478087.db2.gz QOLZLDSVIRJJQP-UHFFFAOYSA-N 1 2 335.444 2.468 20 30 EEEDLO C[NH+](C)[C@H](CNC(=O)c1ccc(C#N)cn1)c1c(F)cccc1F ZINC000115413915 292232721 /nfs/dbraw/zinc/23/27/21/292232721.db2.gz LCJOLZZVWZIOGV-OAHLLOKOSA-N 1 2 330.338 2.264 20 30 EEEDLO C[N@H+](CCOc1ccc(F)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115532896 152026894 /nfs/dbraw/zinc/02/68/94/152026894.db2.gz USEMOVFSPCIJKE-KRWDZBQOSA-N 1 2 327.359 2.235 20 30 EEEDLO C[N@@H+](CCOc1ccc(F)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115532896 152026898 /nfs/dbraw/zinc/02/68/98/152026898.db2.gz USEMOVFSPCIJKE-KRWDZBQOSA-N 1 2 327.359 2.235 20 30 EEEDLO CC(C)[C@H]([NH2+]Cc1cc(C#N)cs1)c1nc(-c2nc[nH]n2)no1 ZINC000129236259 292355092 /nfs/dbraw/zinc/35/50/92/292355092.db2.gz ADRWEXRUSDKBCT-NSHDSACASA-N 1 2 329.389 2.275 20 30 EEEDLO N#Cc1cc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)ccc1F ZINC000077499878 159101669 /nfs/dbraw/zinc/10/16/69/159101669.db2.gz USUYSPVDUSPWPR-UHFFFAOYSA-N 1 2 339.374 2.442 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)c(F)c1 ZINC000109064112 159346241 /nfs/dbraw/zinc/34/62/41/159346241.db2.gz UMFAFNFDWMQPQO-MRXNPFEDSA-N 1 2 333.432 2.237 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)c(F)c1 ZINC000109064112 159346246 /nfs/dbraw/zinc/34/62/46/159346246.db2.gz UMFAFNFDWMQPQO-MRXNPFEDSA-N 1 2 333.432 2.237 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(Cl)c1 ZINC000245723046 160249784 /nfs/dbraw/zinc/24/97/84/160249784.db2.gz OZZMKRUBPUZRBV-ZDUSSCGKSA-N 1 2 339.848 2.070 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)c(Cl)c1 ZINC000245723046 160249786 /nfs/dbraw/zinc/24/97/86/160249786.db2.gz OZZMKRUBPUZRBV-ZDUSSCGKSA-N 1 2 339.848 2.070 20 30 EEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nccc(C#N)c2Cl)CC1 ZINC000342242683 161050133 /nfs/dbraw/zinc/05/01/33/161050133.db2.gz HGDUVIBCTQCXHX-UHFFFAOYSA-N 1 2 344.850 2.279 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCCOc1ccc(C#N)cc1)C1CC1 ZINC000345081044 161269840 /nfs/dbraw/zinc/26/98/40/161269840.db2.gz OHUMIBKSLMXGQX-INIZCTEOSA-N 1 2 339.399 2.121 20 30 EEEDLO C[C@H]1C[NH+](CCN(C)C(=O)c2cc(C#N)ccc2Cl)C[C@H](C)O1 ZINC000355489866 163207404 /nfs/dbraw/zinc/20/74/04/163207404.db2.gz HWHSJJFOBKSHCR-STQMWFEESA-N 1 2 335.835 2.393 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)c1cccc(C#N)c1 ZINC000360720752 164369218 /nfs/dbraw/zinc/36/92/18/164369218.db2.gz ZSKIFQLBBIKWTF-FDQGKXFDSA-N 1 2 338.411 2.432 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CCN(c3cc(N4CCCC4)[nH+]cn3)C2)nc1 ZINC000368182317 166065119 /nfs/dbraw/zinc/06/51/19/166065119.db2.gz DXGKJNCPTVJJIU-OAHLLOKOSA-N 1 2 336.399 2.001 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CCN(c3cc(N4CCCC4)nc[nH+]3)C2)nc1 ZINC000368182317 166065120 /nfs/dbraw/zinc/06/51/20/166065120.db2.gz DXGKJNCPTVJJIU-OAHLLOKOSA-N 1 2 336.399 2.001 20 30 EEEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C#N)s3)c[nH+]2)CCO1 ZINC000362938709 164839258 /nfs/dbraw/zinc/83/92/58/164839258.db2.gz PXVABFSBKBMQOY-GFCCVEGCSA-N 1 2 342.424 2.170 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000122207616 222037818 /nfs/dbraw/zinc/03/78/18/222037818.db2.gz MTIAHUKAPGXYAB-ZDUSSCGKSA-N 1 2 336.374 2.070 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000122207616 222037820 /nfs/dbraw/zinc/03/78/20/222037820.db2.gz MTIAHUKAPGXYAB-ZDUSSCGKSA-N 1 2 336.374 2.070 20 30 EEEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000532347504 269890966 /nfs/dbraw/zinc/89/09/66/269890966.db2.gz DZVZVWRBRZVNCJ-SWLSCSKDSA-N 1 2 348.403 2.166 20 30 EEEDLO N#Cc1csc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000530742930 270022383 /nfs/dbraw/zinc/02/23/83/270022383.db2.gz PVQJFSXFOFFUTL-UHFFFAOYSA-N 1 2 340.452 2.172 20 30 EEEDLO CC1(C)C[N@H+](CCNc2ncc(Br)cc2C#N)CCO1 ZINC000295520565 265964216 /nfs/dbraw/zinc/96/42/16/265964216.db2.gz MJXDSOZCDCZKDC-UHFFFAOYSA-N 1 2 339.237 2.238 20 30 EEEDLO CC1(C)C[N@@H+](CCNc2ncc(Br)cc2C#N)CCO1 ZINC000295520565 265964217 /nfs/dbraw/zinc/96/42/17/265964217.db2.gz MJXDSOZCDCZKDC-UHFFFAOYSA-N 1 2 339.237 2.238 20 30 EEEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000331649017 266381621 /nfs/dbraw/zinc/38/16/21/266381621.db2.gz VZAOWPKBXKHULW-LSBZLQRGSA-N 1 2 343.427 2.155 20 30 EEEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000331649017 266381624 /nfs/dbraw/zinc/38/16/24/266381624.db2.gz VZAOWPKBXKHULW-LSBZLQRGSA-N 1 2 343.427 2.155 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285457743 267137167 /nfs/dbraw/zinc/13/71/67/267137167.db2.gz JOVCRFGBNDCPTA-CYBMUJFWSA-N 1 2 337.379 2.485 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285457743 267137171 /nfs/dbraw/zinc/13/71/71/267137171.db2.gz JOVCRFGBNDCPTA-CYBMUJFWSA-N 1 2 337.379 2.485 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295516111 267138995 /nfs/dbraw/zinc/13/89/95/267138995.db2.gz IEICBHVUDXVJQK-CZUORRHYSA-N 1 2 344.415 2.048 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295516111 267138999 /nfs/dbraw/zinc/13/89/99/267138999.db2.gz IEICBHVUDXVJQK-CZUORRHYSA-N 1 2 344.415 2.048 20 30 EEEDLO CC[C@@H]1C[N@H+](CCNc2cc(C(F)(F)F)cnc2C#N)CCO1 ZINC000413276233 267202487 /nfs/dbraw/zinc/20/24/87/267202487.db2.gz YNLAJWXWDYYNIN-GFCCVEGCSA-N 1 2 328.338 2.495 20 30 EEEDLO CC[C@@H]1C[N@@H+](CCNc2cc(C(F)(F)F)cnc2C#N)CCO1 ZINC000413276233 267202490 /nfs/dbraw/zinc/20/24/90/267202490.db2.gz YNLAJWXWDYYNIN-GFCCVEGCSA-N 1 2 328.338 2.495 20 30 EEEDLO C[C@H]1CN(c2cc(C(F)(F)F)cnc2C#N)C[C@@H]1[NH+]1CCOCC1 ZINC000334061690 267237322 /nfs/dbraw/zinc/23/73/22/267237322.db2.gz YUEASTFZWKGPKM-NHYWBVRUSA-N 1 2 340.349 2.129 20 30 EEEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000451924548 267257108 /nfs/dbraw/zinc/25/71/08/267257108.db2.gz DFMLCIGOGJFJEQ-LLVKDONJSA-N 1 2 336.392 2.094 20 30 EEEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000451933949 267258923 /nfs/dbraw/zinc/25/89/23/267258923.db2.gz VBFWGFDYOZPVSL-JTQLQIEISA-N 1 2 338.820 2.468 20 30 EEEDLO Cc1cc(NC[C@@H]2CN3CC[NH+]2CC3)n2c3ccccc3nc2c1C#N ZINC000301806208 267349048 /nfs/dbraw/zinc/34/90/48/267349048.db2.gz YMOGSOKUWQNHQU-OAHLLOKOSA-N 1 2 346.438 2.079 20 30 EEEDLO N#Cc1ccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000302774862 268108271 /nfs/dbraw/zinc/10/82/71/268108271.db2.gz OEGCPSKZXMECFC-OAHLLOKOSA-N 1 2 327.344 2.140 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)nn1 ZINC000301830086 268118002 /nfs/dbraw/zinc/11/80/02/268118002.db2.gz HGDZODCRQPUULW-UHFFFAOYSA-N 1 2 331.782 2.463 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)s1 ZINC000435424421 268258452 /nfs/dbraw/zinc/25/84/52/268258452.db2.gz VFXGKMBFPLTNID-UHFFFAOYSA-N 1 2 348.453 2.093 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000289734517 268265924 /nfs/dbraw/zinc/26/59/24/268265924.db2.gz DOIKSNDTXFDTEW-HNNXBMFYSA-N 1 2 329.791 2.294 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000289734517 268265925 /nfs/dbraw/zinc/26/59/25/268265925.db2.gz DOIKSNDTXFDTEW-HNNXBMFYSA-N 1 2 329.791 2.294 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccnc(F)c3F)CC2)cc1 ZINC000280054061 269324756 /nfs/dbraw/zinc/32/47/56/269324756.db2.gz TXQDGMCBOVZAHU-UHFFFAOYSA-N 1 2 342.349 2.189 20 30 EEEDLO N#Cc1ccc(CN2CC[C@H](Nc3cc[nH+]c(C4CC4)n3)C2=O)cc1 ZINC000277486892 274297551 /nfs/dbraw/zinc/29/75/51/274297551.db2.gz SXKAGCKAUXCNEQ-INIZCTEOSA-N 1 2 333.395 2.439 20 30 EEEDLO N#Cc1cc2c(nc1NCc1cc[nH+]c(N3CCOCC3)c1)CCC2 ZINC000298691688 294562509 /nfs/dbraw/zinc/56/25/09/294562509.db2.gz CYCXCPCBNHNPFC-UHFFFAOYSA-N 1 2 335.411 2.286 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCOC[C@H]3C3CC3)C2=O)cc1 ZINC000248716629 303193922 /nfs/dbraw/zinc/19/39/22/303193922.db2.gz FCVMYHMPMODVCQ-ROUUACIJSA-N 1 2 325.412 2.164 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCOC[C@H]3C3CC3)C2=O)cc1 ZINC000248716629 303193926 /nfs/dbraw/zinc/19/39/26/303193926.db2.gz FCVMYHMPMODVCQ-ROUUACIJSA-N 1 2 325.412 2.164 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2CCCN(CC(F)F)CC2)c1C#N ZINC000539096737 318052015 /nfs/dbraw/zinc/05/20/15/318052015.db2.gz ANAKRIOVRALVHF-UHFFFAOYSA-N 1 2 337.370 2.118 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2CCCN(CC(F)F)CC2)c1C#N ZINC000539096737 318052016 /nfs/dbraw/zinc/05/20/16/318052016.db2.gz ANAKRIOVRALVHF-UHFFFAOYSA-N 1 2 337.370 2.118 20 30 EEEDLO COc1ccccc1[C@H](CO)[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000541983962 318119817 /nfs/dbraw/zinc/11/98/17/318119817.db2.gz LCGMHCPVVVKOMC-HNNXBMFYSA-N 1 2 343.383 2.038 20 30 EEEDLO N#Cc1c(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)n[nH]c1C1CC1 ZINC000601739394 450204228 /nfs/dbraw/zinc/20/42/28/450204228.db2.gz UHEAXBOCGXHOER-OAHLLOKOSA-N 1 2 336.399 2.157 20 30 EEEDLO N#Cc1c(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)n[nH]c1C1CC1 ZINC000601739394 450204234 /nfs/dbraw/zinc/20/42/34/450204234.db2.gz UHEAXBOCGXHOER-OAHLLOKOSA-N 1 2 336.399 2.157 20 30 EEEDLO C#CCN(C(=O)NCc1ccc[nH+]c1N1CCOCC1)C1CCCC1 ZINC000163212829 463571818 /nfs/dbraw/zinc/57/18/18/463571818.db2.gz HNMQWIMBGLAACX-UHFFFAOYSA-N 1 2 342.443 2.006 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1N(C[C@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000296016302 465051902 /nfs/dbraw/zinc/05/19/02/465051902.db2.gz UHTQOCTWDPZPMY-RDJZCZTQSA-N 1 2 340.427 2.115 20 30 EEEDLO Cn1ccnc1[C@@H]1[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000296016302 465051904 /nfs/dbraw/zinc/05/19/04/465051904.db2.gz UHTQOCTWDPZPMY-RDJZCZTQSA-N 1 2 340.427 2.115 20 30 EEEDLO Cn1ccnc1[C@@H]1[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000296016302 465051907 /nfs/dbraw/zinc/05/19/07/465051907.db2.gz UHTQOCTWDPZPMY-RDJZCZTQSA-N 1 2 340.427 2.115 20 30 EEEDLO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000336870538 465061940 /nfs/dbraw/zinc/06/19/40/465061940.db2.gz JUKJNVKBJLAGNX-IAGOWNOFSA-N 1 2 335.473 2.040 20 30 EEEDLO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000336870538 465061944 /nfs/dbraw/zinc/06/19/44/465061944.db2.gz JUKJNVKBJLAGNX-IAGOWNOFSA-N 1 2 335.473 2.040 20 30 EEEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3(C#N)CCCCC3)CC[C@@H]21 ZINC000329054768 465218894 /nfs/dbraw/zinc/21/88/94/465218894.db2.gz XLJHSUQCQOLCJR-CABCVRRESA-N 1 2 347.463 2.250 20 30 EEEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)NC3(C#N)CCCCC3)CC[C@@H]21 ZINC000329054768 465218897 /nfs/dbraw/zinc/21/88/97/465218897.db2.gz XLJHSUQCQOLCJR-CABCVRRESA-N 1 2 347.463 2.250 20 30 EEEDLO CC(=O)c1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1 ZINC000296708750 465230974 /nfs/dbraw/zinc/23/09/74/465230974.db2.gz GCWJCXYWWMWHOZ-CQSZACIVSA-N 1 2 335.411 2.262 20 30 EEEDLO CC(=O)c1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1 ZINC000296708750 465230979 /nfs/dbraw/zinc/23/09/79/465230979.db2.gz GCWJCXYWWMWHOZ-CQSZACIVSA-N 1 2 335.411 2.262 20 30 EEEDLO Cc1cc(C#N)nc(NCc2cn3cc(Br)ccc3[nH+]2)n1 ZINC000341597787 465248904 /nfs/dbraw/zinc/24/89/04/465248904.db2.gz RYAKFHRHTXPSDS-UHFFFAOYSA-N 1 2 343.188 2.679 20 30 EEEDLO C=CC[C@H](CO)CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000341764555 465259124 /nfs/dbraw/zinc/25/91/24/465259124.db2.gz RMOGCGNWFVEOQN-CVEARBPZSA-N 1 2 347.459 2.386 20 30 EEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC(C#N)(COC)CC1 ZINC000341809251 465262278 /nfs/dbraw/zinc/26/22/78/465262278.db2.gz NPECPLMDSFBFCH-UHFFFAOYSA-N 1 2 340.427 2.377 20 30 EEEDLO C=CCN(C)C(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000298004681 465277238 /nfs/dbraw/zinc/27/72/38/465277238.db2.gz JEQIKCMXALIEAF-AWEZNQCLSA-N 1 2 349.862 2.190 20 30 EEEDLO CC(C)C(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000061023838 462573827 /nfs/dbraw/zinc/57/38/27/462573827.db2.gz WXTQRMBDLCYZSM-AWEZNQCLSA-N 1 2 342.443 2.122 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(c2nc3c(cc2C#N)COCC3)CC1 ZINC000590689912 468307773 /nfs/dbraw/zinc/30/77/73/468307773.db2.gz IDNNULZLTJZYSU-OAHLLOKOSA-N 1 2 349.438 2.304 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000153259455 462631319 /nfs/dbraw/zinc/63/13/19/462631319.db2.gz LDROQROTKKOEHR-GOSISDBHSA-N 1 2 342.399 2.368 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000153259455 462631323 /nfs/dbraw/zinc/63/13/23/462631323.db2.gz LDROQROTKKOEHR-GOSISDBHSA-N 1 2 342.399 2.368 20 30 EEEDLO Cc1cccc([C@H](CNC(=O)N(C)C[C@@H](C)C#N)[NH+]2CCOCC2)c1 ZINC000046249508 462663990 /nfs/dbraw/zinc/66/39/90/462663990.db2.gz YLHIONKIXHFXKZ-WMZOPIPTSA-N 1 2 344.459 2.169 20 30 EEEDLO COCC[N@H+](CC(=O)NCc1cccs1)Cc1ccc(C#N)cc1 ZINC000063754364 462668554 /nfs/dbraw/zinc/66/85/54/462668554.db2.gz FLIPGZZMEGKRBT-UHFFFAOYSA-N 1 2 343.452 2.385 20 30 EEEDLO COCC[N@@H+](CC(=O)NCc1cccs1)Cc1ccc(C#N)cc1 ZINC000063754364 462668557 /nfs/dbraw/zinc/66/85/57/462668557.db2.gz FLIPGZZMEGKRBT-UHFFFAOYSA-N 1 2 343.452 2.385 20 30 EEEDLO Cc1sc(NC(=O)C[N@@H+](C)C2CCS(=O)CC2)c(C#N)c1C ZINC000089558736 462693715 /nfs/dbraw/zinc/69/37/15/462693715.db2.gz JCOWBLKOCNMVTE-UHFFFAOYSA-N 1 2 339.486 2.018 20 30 EEEDLO Cc1sc(NC(=O)C[N@H+](C)C2CCS(=O)CC2)c(C#N)c1C ZINC000089558736 462693723 /nfs/dbraw/zinc/69/37/23/462693723.db2.gz JCOWBLKOCNMVTE-UHFFFAOYSA-N 1 2 339.486 2.018 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000089905286 462738286 /nfs/dbraw/zinc/73/82/86/462738286.db2.gz NCJVWHOVGNLPHQ-JTQLQIEISA-N 1 2 333.251 2.235 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000089905286 462738294 /nfs/dbraw/zinc/73/82/94/462738294.db2.gz NCJVWHOVGNLPHQ-JTQLQIEISA-N 1 2 333.251 2.235 20 30 EEEDLO COc1cc(/C=C\C(=O)N[C@@H](C)Cn2cc[nH+]c2)ccc1OCC#N ZINC000491187940 468316789 /nfs/dbraw/zinc/31/67/89/468316789.db2.gz VILYCGKNTOJIEC-SDQPKGBYSA-N 1 2 340.383 2.012 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1c(Cl)nc2ccccn21 ZINC000154804730 462810822 /nfs/dbraw/zinc/81/08/22/462810822.db2.gz WJKGJEGVGWRXDC-UHFFFAOYSA-N 1 2 347.850 2.036 20 30 EEEDLO C=CCNC(=O)CSc1nnc([C@H](CC)[NH+](C)C)n1CCCC ZINC000066317049 462873309 /nfs/dbraw/zinc/87/33/09/462873309.db2.gz HLRWOMFRUWHXJD-ZDUSSCGKSA-N 1 2 339.509 2.485 20 30 EEEDLO CC[N@@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)C[C@@H](C)C#N ZINC000066424980 462887727 /nfs/dbraw/zinc/88/77/27/462887727.db2.gz WWERPEHDKQBYFR-YOEHRIQHSA-N 1 2 333.407 2.207 20 30 EEEDLO CC[N@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)C[C@@H](C)C#N ZINC000066424980 462887730 /nfs/dbraw/zinc/88/77/30/462887730.db2.gz WWERPEHDKQBYFR-YOEHRIQHSA-N 1 2 333.407 2.207 20 30 EEEDLO COC(=O)c1ccc(N2CC[N@H+](C[C@H](C#N)CCC#N)[C@@H](C)C2)cc1 ZINC000155449232 462893531 /nfs/dbraw/zinc/89/35/31/462893531.db2.gz PNOFJRVOJPHFGF-HOTGVXAUSA-N 1 2 340.427 2.427 20 30 EEEDLO COC(=O)c1ccc(N2CC[N@@H+](C[C@H](C#N)CCC#N)[C@@H](C)C2)cc1 ZINC000155449232 462893533 /nfs/dbraw/zinc/89/35/33/462893533.db2.gz PNOFJRVOJPHFGF-HOTGVXAUSA-N 1 2 340.427 2.427 20 30 EEEDLO C#CC[N@H+](Cc1cccc(-c2ccncc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092193968 462933309 /nfs/dbraw/zinc/93/33/09/462933309.db2.gz CGNZMYUCBRAWNT-LJQANCHMSA-N 1 2 340.448 2.371 20 30 EEEDLO C#CC[N@@H+](Cc1cccc(-c2ccncc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092193968 462933314 /nfs/dbraw/zinc/93/33/14/462933314.db2.gz CGNZMYUCBRAWNT-LJQANCHMSA-N 1 2 340.448 2.371 20 30 EEEDLO C#CC[N@@H+](CCCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000077282781 462961672 /nfs/dbraw/zinc/96/16/72/462961672.db2.gz WPBNUBSNMSGCQP-INIZCTEOSA-N 1 2 325.861 2.395 20 30 EEEDLO C#CC[N@H+](CCCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000077282781 462961679 /nfs/dbraw/zinc/96/16/79/462961679.db2.gz WPBNUBSNMSGCQP-INIZCTEOSA-N 1 2 325.861 2.395 20 30 EEEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)NC2CCN(CC#N)CC2)c1 ZINC000077446670 462986373 /nfs/dbraw/zinc/98/63/73/462986373.db2.gz URHFKHSWVSGEGK-UHFFFAOYSA-N 1 2 338.415 2.197 20 30 EEEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CN3CCOCC3)n2)C1 ZINC000051152102 463023537 /nfs/dbraw/zinc/02/35/37/463023537.db2.gz UUBYEGGHWVMDCR-ZDUSSCGKSA-N 1 2 338.477 2.295 20 30 EEEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CN3CCOCC3)n2)C1 ZINC000051152102 463023539 /nfs/dbraw/zinc/02/35/39/463023539.db2.gz UUBYEGGHWVMDCR-ZDUSSCGKSA-N 1 2 338.477 2.295 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)[C@H](C)Sc2ccc(OC)cc2)CC1 ZINC000068444388 463138391 /nfs/dbraw/zinc/13/83/91/463138391.db2.gz YJAFSTQPHXRIRK-HNNXBMFYSA-N 1 2 332.469 2.343 20 30 EEEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)NCC)CC2)cc1OC ZINC000121587081 463163133 /nfs/dbraw/zinc/16/31/33/463163133.db2.gz MFUOGVZALCXMRD-UHFFFAOYSA-N 1 2 333.432 2.107 20 30 EEEDLO C[C@H](Cc1ccccc1F)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000157845310 463177092 /nfs/dbraw/zinc/17/70/92/463177092.db2.gz SIAIJRNGTYJTQM-MRXNPFEDSA-N 1 2 347.434 2.079 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000069359412 463235694 /nfs/dbraw/zinc/23/56/94/463235694.db2.gz XSXOSHLZHCJMCQ-INIZCTEOSA-N 1 2 331.460 2.354 20 30 EEEDLO CCOc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000080160807 463289010 /nfs/dbraw/zinc/28/90/10/463289010.db2.gz BZNVUDJOJBDFEK-UHFFFAOYSA-N 1 2 346.431 2.165 20 30 EEEDLO Cc1noc([C@H](C)N2CC[NH+](CCOc3ccccc3C#N)CC2)n1 ZINC000069630554 463292714 /nfs/dbraw/zinc/29/27/14/463292714.db2.gz VADYFPNAFWCEKX-AWEZNQCLSA-N 1 2 341.415 2.007 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000491325269 468350407 /nfs/dbraw/zinc/35/04/07/468350407.db2.gz BAZDXNNWCSBYNX-UHFFFAOYSA-N 1 2 328.372 2.455 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000491325269 468350410 /nfs/dbraw/zinc/35/04/10/468350410.db2.gz BAZDXNNWCSBYNX-UHFFFAOYSA-N 1 2 328.372 2.455 20 30 EEEDLO Cc1nc(C2([NH2+]CC(=O)N[C@@](C)(C#N)C3CC3)CCCCCC2)no1 ZINC000069950078 463356748 /nfs/dbraw/zinc/35/67/48/463356748.db2.gz CINFDLNTNFNXPH-KRWDZBQOSA-N 1 2 345.447 2.326 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161174036 463407186 /nfs/dbraw/zinc/40/71/86/463407186.db2.gz OQNICYNTMVRIRM-INIZCTEOSA-N 1 2 349.438 2.098 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C\c3cscn3)CC2)cc1 ZINC000491336762 468353013 /nfs/dbraw/zinc/35/30/13/468353013.db2.gz WRTFKBIUCVTMME-WAYWQWQTSA-N 1 2 338.436 2.372 20 30 EEEDLO COC(=O)c1occc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000057949536 463532965 /nfs/dbraw/zinc/53/29/65/463532965.db2.gz PVXNDTRTJSSKAC-UHFFFAOYSA-N 1 2 339.395 2.256 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000106868310 463544560 /nfs/dbraw/zinc/54/45/60/463544560.db2.gz CTRLXIWHSRUYLW-OAHLLOKOSA-N 1 2 344.415 2.096 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000106868310 463544563 /nfs/dbraw/zinc/54/45/63/463544563.db2.gz CTRLXIWHSRUYLW-OAHLLOKOSA-N 1 2 344.415 2.096 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CC(=O)NC(C)C)cc1 ZINC000042503231 463568582 /nfs/dbraw/zinc/56/85/82/463568582.db2.gz GUFUTSXNXSLEAW-MRXNPFEDSA-N 1 2 344.459 2.087 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CC(=O)NC(C)C)cc1 ZINC000042503231 463568589 /nfs/dbraw/zinc/56/85/89/463568589.db2.gz GUFUTSXNXSLEAW-MRXNPFEDSA-N 1 2 344.459 2.087 20 30 EEEDLO N#Cc1csc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000084069579 463575588 /nfs/dbraw/zinc/57/55/88/463575588.db2.gz AOWAYYQKUQGRQN-MRXNPFEDSA-N 1 2 341.436 2.251 20 30 EEEDLO N#Cc1csc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000084069579 463575591 /nfs/dbraw/zinc/57/55/91/463575591.db2.gz AOWAYYQKUQGRQN-MRXNPFEDSA-N 1 2 341.436 2.251 20 30 EEEDLO C=CC[C@@H](CC)NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000286929784 463745347 /nfs/dbraw/zinc/74/53/47/463745347.db2.gz QJLDKBRAUFOHOX-DDUZABMNSA-N 1 2 344.459 2.333 20 30 EEEDLO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1nc(C(C)(C)C)no1 ZINC000185176844 463770430 /nfs/dbraw/zinc/77/04/30/463770430.db2.gz FOSUOEQDSFUUIV-GXTWGEPZSA-N 1 2 344.415 2.329 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc4nsnc43)CC2)nc1 ZINC000268931565 463814668 /nfs/dbraw/zinc/81/46/68/463814668.db2.gz QZSQDQQOKFCVDG-UHFFFAOYSA-N 1 2 336.424 2.280 20 30 EEEDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)o1 ZINC000541688379 468379433 /nfs/dbraw/zinc/37/94/33/468379433.db2.gz RUKDGRCHPXLAMG-QWHCGFSZSA-N 1 2 327.388 2.364 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@]1=O ZINC000277126672 463882246 /nfs/dbraw/zinc/88/22/46/463882246.db2.gz IDSRHLDCRKTVSS-JBEBIEQOSA-N 1 2 342.468 2.302 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@]1=O ZINC000277126672 463882250 /nfs/dbraw/zinc/88/22/50/463882250.db2.gz IDSRHLDCRKTVSS-JBEBIEQOSA-N 1 2 342.468 2.302 20 30 EEEDLO CC[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cnn(C)c1 ZINC000171655788 463900307 /nfs/dbraw/zinc/90/03/07/463900307.db2.gz UAARRABXISYLPH-UHFFFAOYSA-N 1 2 343.456 2.496 20 30 EEEDLO CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cnn(C)c1 ZINC000171655788 463900312 /nfs/dbraw/zinc/90/03/12/463900312.db2.gz UAARRABXISYLPH-UHFFFAOYSA-N 1 2 343.456 2.496 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186097439 463936145 /nfs/dbraw/zinc/93/61/45/463936145.db2.gz YKOIAAASWJMOHP-PKOBYXMFSA-N 1 2 343.471 2.328 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186097439 463936148 /nfs/dbraw/zinc/93/61/48/463936148.db2.gz YKOIAAASWJMOHP-PKOBYXMFSA-N 1 2 343.471 2.328 20 30 EEEDLO CN(CCCn1cc[nH+]c1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000178709275 463947803 /nfs/dbraw/zinc/94/78/03/463947803.db2.gz YGXNWKKLJHPUKI-UHFFFAOYSA-N 1 2 327.388 2.017 20 30 EEEDLO CCN(C(=O)CO[NH+]=C(N)[C@@H]1CCCO1)[C@H](C)c1ccc(F)cc1 ZINC000283890963 464031935 /nfs/dbraw/zinc/03/19/35/464031935.db2.gz CYOZKDFANPQTSD-DOMZBBRYSA-N 1 2 337.395 2.203 20 30 EEEDLO C[C@H](C(=O)NCCSCc1ccccc1C#N)[NH+]1CCSCC1 ZINC000179151697 464068970 /nfs/dbraw/zinc/06/89/70/464068970.db2.gz NNUZECNTKDKWSI-CQSZACIVSA-N 1 2 349.525 2.345 20 30 EEEDLO Cc1nsc(N2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)c1C#N ZINC000289367945 464075268 /nfs/dbraw/zinc/07/52/68/464075268.db2.gz AXWWJJACICLPJA-MRXNPFEDSA-N 1 2 346.431 2.318 20 30 EEEDLO C=CC[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000187246532 464110537 /nfs/dbraw/zinc/11/05/37/464110537.db2.gz PDGBZEDCXVZFBP-IUODEOHRSA-N 1 2 347.839 2.188 20 30 EEEDLO C=CC[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000187246532 464110540 /nfs/dbraw/zinc/11/05/40/464110540.db2.gz PDGBZEDCXVZFBP-IUODEOHRSA-N 1 2 347.839 2.188 20 30 EEEDLO C[C@H](c1ccccc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290220941 464111284 /nfs/dbraw/zinc/11/12/84/464111284.db2.gz IAQHKZNANKTKHM-CQSZACIVSA-N 1 2 329.425 2.420 20 30 EEEDLO C[C@H](c1ccccc1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290220941 464111288 /nfs/dbraw/zinc/11/12/88/464111288.db2.gz IAQHKZNANKTKHM-CQSZACIVSA-N 1 2 329.425 2.420 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NCc2ccc(F)cc2)n1 ZINC000279723222 464134836 /nfs/dbraw/zinc/13/48/36/464134836.db2.gz MEDYERXZIUCGHI-OAHLLOKOSA-N 1 2 342.418 2.182 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NCc2ccc(F)cc2)n1 ZINC000279723222 464134842 /nfs/dbraw/zinc/13/48/42/464134842.db2.gz MEDYERXZIUCGHI-OAHLLOKOSA-N 1 2 342.418 2.182 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263774306 464186324 /nfs/dbraw/zinc/18/63/24/464186324.db2.gz XGCIOVITBLGKER-YJBOKZPZSA-N 1 2 329.444 2.240 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263774306 464186330 /nfs/dbraw/zinc/18/63/30/464186330.db2.gz XGCIOVITBLGKER-YJBOKZPZSA-N 1 2 329.444 2.240 20 30 EEEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000523679662 468400711 /nfs/dbraw/zinc/40/07/11/468400711.db2.gz BQYCEBYIMZQNPF-UHFFFAOYSA-N 1 2 340.383 2.006 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N(C)Cc2[nH+]ccn2C)cc1 ZINC000271020753 464274380 /nfs/dbraw/zinc/27/43/80/464274380.db2.gz NUXGUSQCGKQBQV-INIZCTEOSA-N 1 2 339.443 2.496 20 30 EEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1CC(=O)N(CCC#N)CCC#N ZINC000281044074 464311635 /nfs/dbraw/zinc/31/16/35/464311635.db2.gz QGTZDCYENNFUJF-MRXNPFEDSA-N 1 2 342.447 2.086 20 30 EEEDLO C=CCN1CC[C@H]([NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)C1=O ZINC000281193145 464366179 /nfs/dbraw/zinc/36/61/79/464366179.db2.gz MTEQVUXUVHLCSV-RISCZKNCSA-N 1 2 330.363 2.313 20 30 EEEDLO CC(=O)Nc1cccc([C@H](C)NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC000329895065 465466013 /nfs/dbraw/zinc/46/60/13/465466013.db2.gz BOSCVTYHXTUBJI-VUCTXSBTSA-N 1 2 346.431 2.284 20 30 EEEDLO CC(=O)Nc1cccc([C@H](C)NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1 ZINC000329895065 465466021 /nfs/dbraw/zinc/46/60/21/465466021.db2.gz BOSCVTYHXTUBJI-VUCTXSBTSA-N 1 2 346.431 2.284 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(c3cccc(Cl)c3)C2=O)C1=O ZINC000281256657 464389299 /nfs/dbraw/zinc/38/92/99/464389299.db2.gz HERJWSJGDWXPTR-CVEARBPZSA-N 1 2 347.846 2.164 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(c3cccc(Cl)c3)C2=O)C1=O ZINC000281256657 464389305 /nfs/dbraw/zinc/38/93/05/464389305.db2.gz HERJWSJGDWXPTR-CVEARBPZSA-N 1 2 347.846 2.164 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2cccc(C)c2C)C1=O ZINC000281314748 464411849 /nfs/dbraw/zinc/41/18/49/464411849.db2.gz KUBFEWRSGSJTPI-WBVHZDCISA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2cccc(C)c2C)C1=O ZINC000281314748 464411855 /nfs/dbraw/zinc/41/18/55/464411855.db2.gz KUBFEWRSGSJTPI-WBVHZDCISA-N 1 2 329.444 2.349 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCCCC2(C#N)CCOCC2)cc1OC ZINC000281377485 464432741 /nfs/dbraw/zinc/43/27/41/464432741.db2.gz OXNDFKAQKNBZCX-UHFFFAOYSA-N 1 2 347.415 2.441 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cccc(SC)c2)C1=O ZINC000281397241 464438587 /nfs/dbraw/zinc/43/85/87/464438587.db2.gz QEALJMMRWICXRL-XJKSGUPXSA-N 1 2 347.484 2.454 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2cccc(SC)c2)C1=O ZINC000281397241 464438592 /nfs/dbraw/zinc/43/85/92/464438592.db2.gz QEALJMMRWICXRL-XJKSGUPXSA-N 1 2 347.484 2.454 20 30 EEEDLO CC[C@](C)(C#N)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000285105523 464455450 /nfs/dbraw/zinc/45/54/50/464455450.db2.gz UKAVMJOLDRXWTA-GOSISDBHSA-N 1 2 329.448 2.497 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245460204 464485198 /nfs/dbraw/zinc/48/51/98/464485198.db2.gz FBXBPIBMGINJLW-KAEOHJDDSA-N 1 2 349.500 2.425 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245460204 464485204 /nfs/dbraw/zinc/48/52/04/464485204.db2.gz FBXBPIBMGINJLW-KAEOHJDDSA-N 1 2 349.500 2.425 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000189500533 464520081 /nfs/dbraw/zinc/52/00/81/464520081.db2.gz QJNROQSOJLWMKA-SFHVURJKSA-N 1 2 333.432 2.394 20 30 EEEDLO C[C@@H](CCC#N)n1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000591127287 468412118 /nfs/dbraw/zinc/41/21/18/468412118.db2.gz DUDKTFSPCZSJCS-GOEBONIOSA-N 1 2 326.404 2.111 20 30 EEEDLO C[C@@H](CCC#N)n1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000591127287 468412124 /nfs/dbraw/zinc/41/21/24/468412124.db2.gz DUDKTFSPCZSJCS-GOEBONIOSA-N 1 2 326.404 2.111 20 30 EEEDLO C#C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1)C(C)C ZINC000282124064 464705743 /nfs/dbraw/zinc/70/57/43/464705743.db2.gz FUNFMNHWZBJEIH-HUUCEWRRSA-N 1 2 335.473 2.078 20 30 EEEDLO C#CCN(C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F)C1CC1 ZINC000274143698 464735108 /nfs/dbraw/zinc/73/51/08/464735108.db2.gz RHVMSNVUNWZDMI-INIZCTEOSA-N 1 2 326.375 2.456 20 30 EEEDLO COc1ncccc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000176456505 464778292 /nfs/dbraw/zinc/77/82/92/464778292.db2.gz NFLBWZWUISLHEK-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO COCC[N@H+](CC(=O)Nc1sccc1C#N)Cc1cccnc1 ZINC000191246770 464806481 /nfs/dbraw/zinc/80/64/81/464806481.db2.gz HIKWWKLYZKGBBT-UHFFFAOYSA-N 1 2 330.413 2.102 20 30 EEEDLO COCC[N@@H+](CC(=O)Nc1sccc1C#N)Cc1cccnc1 ZINC000191246770 464806488 /nfs/dbraw/zinc/80/64/88/464806488.db2.gz HIKWWKLYZKGBBT-UHFFFAOYSA-N 1 2 330.413 2.102 20 30 EEEDLO CN(C(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CO)C1(C#N)CCCCC1 ZINC000268152446 464951628 /nfs/dbraw/zinc/95/16/28/464951628.db2.gz RMRBPRBEMHPXCK-SFHVURJKSA-N 1 2 341.455 2.263 20 30 EEEDLO CN(C(=O)C[N@H+]1CCc2ccccc2[C@@H]1CO)C1(C#N)CCCCC1 ZINC000268152446 464951633 /nfs/dbraw/zinc/95/16/33/464951633.db2.gz RMRBPRBEMHPXCK-SFHVURJKSA-N 1 2 341.455 2.263 20 30 EEEDLO CC(C)COC[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccco1 ZINC000184177894 464952380 /nfs/dbraw/zinc/95/23/80/464952380.db2.gz QGXVLMPRXCZKNZ-CRAIPNDOSA-N 1 2 333.432 2.391 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCNC(=O)OC(C)(C)C)c1 ZINC000177423749 465011894 /nfs/dbraw/zinc/01/18/94/465011894.db2.gz NGNQUJKXVMUIEH-UHFFFAOYSA-N 1 2 331.416 2.063 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCNC(=O)OC(C)(C)C)c1 ZINC000177423749 465011897 /nfs/dbraw/zinc/01/18/97/465011897.db2.gz NGNQUJKXVMUIEH-UHFFFAOYSA-N 1 2 331.416 2.063 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1C[C@@H]2[C@H](C1)C2(C)C)C1CCOCC1 ZINC000329489192 465350053 /nfs/dbraw/zinc/35/00/53/465350053.db2.gz SBJWTFNYRVRNFL-QLFBSQMISA-N 1 2 332.448 2.390 20 30 EEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000356482430 465410388 /nfs/dbraw/zinc/41/03/88/465410388.db2.gz UXAPPROCHFTSLP-CZUORRHYSA-N 1 2 344.459 2.228 20 30 EEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000356482430 465410390 /nfs/dbraw/zinc/41/03/90/465410390.db2.gz UXAPPROCHFTSLP-CZUORRHYSA-N 1 2 344.459 2.228 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1cc3n(n1)CCO3)C2 ZINC000329770938 465430074 /nfs/dbraw/zinc/43/00/74/465430074.db2.gz GLNDAHAURRFHGB-NSHDSACASA-N 1 2 329.404 2.089 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cn(C)nc1[C@H]1CCOC1)CCC2 ZINC000329885693 465462956 /nfs/dbraw/zinc/46/29/56/465462956.db2.gz UZTGXXYSWDMSIL-KBPBESRZSA-N 1 2 343.431 2.311 20 30 EEEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H]1C1CCOCC1 ZINC000329932437 465477881 /nfs/dbraw/zinc/47/78/81/465477881.db2.gz AZZBASOAHIRGBG-GOEBONIOSA-N 1 2 332.448 2.251 20 30 EEEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CCCS(=O)(=O)C2)c1 ZINC000329965976 465490880 /nfs/dbraw/zinc/49/08/80/465490880.db2.gz USALJHYSCYPQQZ-ZDUSSCGKSA-N 1 2 333.413 2.063 20 30 EEEDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)cc1OC ZINC000352458392 465530456 /nfs/dbraw/zinc/53/04/56/465530456.db2.gz JZBZEWLDBZHIBZ-GFCCVEGCSA-N 1 2 335.379 2.358 20 30 EEEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352464139 465531588 /nfs/dbraw/zinc/53/15/88/465531588.db2.gz PKELASHEKKYUDS-CABCVRRESA-N 1 2 325.428 2.026 20 30 EEEDLO C[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1nnc2n1CCCC2 ZINC000330135231 465545067 /nfs/dbraw/zinc/54/50/67/465545067.db2.gz MSWABGPWKGEWPT-GFCCVEGCSA-N 1 2 343.435 2.192 20 30 EEEDLO C[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1nnc2n1CCCC2 ZINC000330135231 465545070 /nfs/dbraw/zinc/54/50/70/465545070.db2.gz MSWABGPWKGEWPT-GFCCVEGCSA-N 1 2 343.435 2.192 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)N(C)Cc1ccco1)Cc1ccc(CO)o1 ZINC000352817797 465559117 /nfs/dbraw/zinc/55/91/17/465559117.db2.gz RUVGMTCOYACJJX-UHFFFAOYSA-N 1 2 332.400 2.402 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)N(C)Cc1ccco1)Cc1ccc(CO)o1 ZINC000352817797 465559123 /nfs/dbraw/zinc/55/91/23/465559123.db2.gz RUVGMTCOYACJJX-UHFFFAOYSA-N 1 2 332.400 2.402 20 30 EEEDLO C[C@H]([NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1OCCc2sccc21 ZINC000330212455 465570064 /nfs/dbraw/zinc/57/00/64/465570064.db2.gz KFBJUHJNNBVJTD-HWWQOWPSSA-N 1 2 346.456 2.466 20 30 EEEDLO C[C@H](NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)[C@H]1OCCc2sccc21 ZINC000330212455 465570067 /nfs/dbraw/zinc/57/00/67/465570067.db2.gz KFBJUHJNNBVJTD-HWWQOWPSSA-N 1 2 346.456 2.466 20 30 EEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCSC[C@@H]1c1nccs1 ZINC000330274546 465594495 /nfs/dbraw/zinc/59/44/95/465594495.db2.gz KHDNGABVTRUNJJ-VXGBXAGGSA-N 1 2 349.485 2.359 20 30 EEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCOC[C@@H]1c1ccccc1 ZINC000330277686 465594841 /nfs/dbraw/zinc/59/48/41/465594841.db2.gz OPLCVVOYTABDHS-HZPDHXFCSA-N 1 2 326.400 2.185 20 30 EEEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3ccc(C#N)c(C)c3)cn2c1 ZINC000356899266 465612085 /nfs/dbraw/zinc/61/20/85/465612085.db2.gz WWQYCKMRRROLHA-UHFFFAOYSA-N 1 2 340.408 2.301 20 30 EEEDLO CCN1CCN(C(=O)Nc2cc(F)ccc2OC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330332429 465616480 /nfs/dbraw/zinc/61/64/80/465616480.db2.gz OWVPNODUNLICOE-CQSZACIVSA-N 1 2 347.394 2.482 20 30 EEEDLO CC[C@@H]1C[N@H+](CCNC(=O)C[C@H](CC#N)c2ccccc2)CCO1 ZINC000357108232 465778845 /nfs/dbraw/zinc/77/88/45/465778845.db2.gz MIRMECYPBBNTJG-ZWKOTPCHSA-N 1 2 329.444 2.301 20 30 EEEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C[C@H](CC#N)c2ccccc2)CCO1 ZINC000357108232 465778853 /nfs/dbraw/zinc/77/88/53/465778853.db2.gz MIRMECYPBBNTJG-ZWKOTPCHSA-N 1 2 329.444 2.301 20 30 EEEDLO CCOC(=O)c1coc(C[NH+]2CCN(c3ncccc3C#N)CC2)c1 ZINC000353384209 465847422 /nfs/dbraw/zinc/84/74/22/465847422.db2.gz SQTLWRJYPLIZQC-UHFFFAOYSA-N 1 2 340.383 2.045 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)Cc2[nH+]ccn2CC(F)(F)F)c(F)c1 ZINC000361280514 465880660 /nfs/dbraw/zinc/88/06/60/465880660.db2.gz HZSKRXHHHHGQPB-UHFFFAOYSA-N 1 2 347.293 2.430 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3nocc3C)[C@@H]2CC)c1 ZINC001087718906 782123382 /nfs/dbraw/zinc/12/33/82/782123382.db2.gz PSTKNKRLFLPLPV-FUHWJXTLSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3nocc3C)[C@@H]2CC)c1 ZINC001087718906 782123386 /nfs/dbraw/zinc/12/33/86/782123386.db2.gz PSTKNKRLFLPLPV-FUHWJXTLSA-N 1 2 338.411 2.142 20 30 EEEDLO CC(C)(CNC(=O)C[C@@H](CC#N)c1ccccc1)[NH+]1CCOCC1 ZINC000353511856 465943997 /nfs/dbraw/zinc/94/39/97/465943997.db2.gz DTZDBUJBGMHHKY-QGZVFWFLSA-N 1 2 329.444 2.301 20 30 EEEDLO C[NH+](C)[C@]1(CNC(=O)N=c2nc(C(C)(C)C)[nH]s2)CCSC1 ZINC000331302876 466020681 /nfs/dbraw/zinc/02/06/81/466020681.db2.gz VPAJHNSAERIRTA-AWEZNQCLSA-N 1 2 343.522 2.021 20 30 EEEDLO C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000338867850 466441482 /nfs/dbraw/zinc/44/14/82/466441482.db2.gz OJXMFDTUSKLULZ-INIZCTEOSA-N 1 2 331.464 2.033 20 30 EEEDLO Cn1c[nH+]cc1CC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000582199728 468505482 /nfs/dbraw/zinc/50/54/82/468505482.db2.gz XJOPCINILHFRQS-UHFFFAOYSA-N 1 2 338.289 2.414 20 30 EEEDLO C=CCN1CC(=O)N([C@@H](c2[nH+]ccn2C)c2ccccc2F)C1=O ZINC000368894273 466705084 /nfs/dbraw/zinc/70/50/84/466705084.db2.gz KXPBWGFZWCBZPO-OAHLLOKOSA-N 1 2 328.347 2.099 20 30 EEEDLO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000411947458 466943489 /nfs/dbraw/zinc/94/34/89/466943489.db2.gz LVDXHQFGIMATHY-LBPRGKRZSA-N 1 2 336.233 2.231 20 30 EEEDLO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000411947458 466943493 /nfs/dbraw/zinc/94/34/93/466943493.db2.gz LVDXHQFGIMATHY-LBPRGKRZSA-N 1 2 336.233 2.231 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000365834331 466956702 /nfs/dbraw/zinc/95/67/02/466956702.db2.gz GTFKPFGBJAKDFK-HNNXBMFYSA-N 1 2 330.409 2.414 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000365834331 466956705 /nfs/dbraw/zinc/95/67/05/466956705.db2.gz GTFKPFGBJAKDFK-HNNXBMFYSA-N 1 2 330.409 2.414 20 30 EEEDLO N#C[C@@H](CCc1ccccc1)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000426187664 467140135 /nfs/dbraw/zinc/14/01/35/467140135.db2.gz RLNYPFKBJFOWPA-MOPGFXCFSA-N 1 2 341.455 2.082 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429232332 467314215 /nfs/dbraw/zinc/31/42/15/467314215.db2.gz JOOJNMXJIDCUAG-HUUCEWRRSA-N 1 2 344.434 2.287 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429232332 467314219 /nfs/dbraw/zinc/31/42/19/467314219.db2.gz JOOJNMXJIDCUAG-HUUCEWRRSA-N 1 2 344.434 2.287 20 30 EEEDLO Cc1nnc(SC[C@H](O)C[N@H+](C)CCC#N)n1-c1ccccc1C ZINC000414092834 467376607 /nfs/dbraw/zinc/37/66/07/467376607.db2.gz GVWDXUNMFLDGQL-OAHLLOKOSA-N 1 2 345.472 2.183 20 30 EEEDLO Cc1nnc(SC[C@H](O)C[N@@H+](C)CCC#N)n1-c1ccccc1C ZINC000414092834 467376611 /nfs/dbraw/zinc/37/66/11/467376611.db2.gz GVWDXUNMFLDGQL-OAHLLOKOSA-N 1 2 345.472 2.183 20 30 EEEDLO N#CC1(CS(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)CCCCC1 ZINC000408228453 467531496 /nfs/dbraw/zinc/53/14/96/467531496.db2.gz IGQXXOQLRSGIIN-UHFFFAOYSA-N 1 2 336.461 2.324 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000437629356 467557027 /nfs/dbraw/zinc/55/70/27/467557027.db2.gz OVFUNNWXCGVMFX-PBHICJAKSA-N 1 2 328.416 2.157 20 30 EEEDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000444783379 467583431 /nfs/dbraw/zinc/58/34/31/467583431.db2.gz STGBHPITLVFGLV-ZWKOTPCHSA-N 1 2 337.464 2.239 20 30 EEEDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000444783379 467583432 /nfs/dbraw/zinc/58/34/32/467583432.db2.gz STGBHPITLVFGLV-ZWKOTPCHSA-N 1 2 337.464 2.239 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000448566480 467593704 /nfs/dbraw/zinc/59/37/04/467593704.db2.gz SDTUMDAQJLYCKP-HJYXSIQESA-N 1 2 326.440 2.435 20 30 EEEDLO CCC[N@H+](CC#N)C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496538714 467638259 /nfs/dbraw/zinc/63/82/59/467638259.db2.gz IPIBRJJFNLVUEM-HNNXBMFYSA-N 1 2 325.453 2.230 20 30 EEEDLO CCC[N@@H+](CC#N)C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496538714 467638263 /nfs/dbraw/zinc/63/82/63/467638263.db2.gz IPIBRJJFNLVUEM-HNNXBMFYSA-N 1 2 325.453 2.230 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000457652101 467670741 /nfs/dbraw/zinc/67/07/41/467670741.db2.gz AESMQHNYQNDESM-KRWDZBQOSA-N 1 2 328.416 2.058 20 30 EEEDLO CCN1CCN(C(=O)/C=C\c2ccc(C#N)cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000492723115 467728503 /nfs/dbraw/zinc/72/85/03/467728503.db2.gz WGSJBLXYZXPPLS-QWPQOLDESA-N 1 2 335.411 2.200 20 30 EEEDLO C[C@H](C(=O)NCC(C)(C)CC#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000457997271 467748483 /nfs/dbraw/zinc/74/84/83/467748483.db2.gz VHAKBCDGRPJNND-OAHLLOKOSA-N 1 2 346.450 2.392 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000458504626 467847897 /nfs/dbraw/zinc/84/78/97/467847897.db2.gz ICENRQOZBQEUQO-QGZVFWFLSA-N 1 2 342.443 2.252 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1csc(Br)c1 ZINC000493162935 467852675 /nfs/dbraw/zinc/85/26/75/467852675.db2.gz VHHKLSSYVGQHKQ-DSYXLKISSA-N 1 2 342.262 2.484 20 30 EEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000459373063 467956552 /nfs/dbraw/zinc/95/65/52/467956552.db2.gz IHPFEABQCGUYBS-QGZVFWFLSA-N 1 2 329.835 2.419 20 30 EEEDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)[C@@H](CC)CN1C(C)=O ZINC000472325166 467985569 /nfs/dbraw/zinc/98/55/69/467985569.db2.gz IZZHTGLAGHFPGE-ROUUACIJSA-N 1 2 342.443 2.218 20 30 EEEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)[C@@H](CC)CN1C(C)=O ZINC000472325166 467985572 /nfs/dbraw/zinc/98/55/72/467985572.db2.gz IZZHTGLAGHFPGE-ROUUACIJSA-N 1 2 342.443 2.218 20 30 EEEDLO CC#CCCNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000483429642 468008250 /nfs/dbraw/zinc/00/82/50/468008250.db2.gz GOGHRQNERYQRCB-INIZCTEOSA-N 1 2 329.444 2.497 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2sc(C)c(C)c2C)C1=O ZINC000532212871 468103642 /nfs/dbraw/zinc/10/36/42/468103642.db2.gz JIXOLXVLZOQRNS-CQSZACIVSA-N 1 2 335.473 2.331 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C)C1=O ZINC000532212871 468103645 /nfs/dbraw/zinc/10/36/45/468103645.db2.gz JIXOLXVLZOQRNS-CQSZACIVSA-N 1 2 335.473 2.331 20 30 EEEDLO Cc1ccc(-c2nc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cs2)o1 ZINC000518462718 468116557 /nfs/dbraw/zinc/11/65/57/468116557.db2.gz RWDHLOOWJWIDDE-INIZCTEOSA-N 1 2 332.429 2.214 20 30 EEEDLO C[NH+](C)Cc1ccnc(NS(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000589585799 468163866 /nfs/dbraw/zinc/16/38/66/468163866.db2.gz UXSCDQPORGDXGQ-UHFFFAOYSA-N 1 2 330.413 2.010 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000576362392 468164897 /nfs/dbraw/zinc/16/48/97/468164897.db2.gz KKZCZPLCSAVOCV-NEPJUHHUSA-N 1 2 346.353 2.320 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)C1=O ZINC000496328482 468170690 /nfs/dbraw/zinc/17/06/90/468170690.db2.gz RFDHBHNTFZORJT-CQSZACIVSA-N 1 2 337.464 2.105 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)C1=O ZINC000496328482 468170695 /nfs/dbraw/zinc/17/06/95/468170695.db2.gz RFDHBHNTFZORJT-CQSZACIVSA-N 1 2 337.464 2.105 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496352468 468186607 /nfs/dbraw/zinc/18/66/07/468186607.db2.gz ZJOJZTSEIZRJAB-GJZGRUSLSA-N 1 2 339.480 2.256 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496352468 468186610 /nfs/dbraw/zinc/18/66/10/468186610.db2.gz ZJOJZTSEIZRJAB-GJZGRUSLSA-N 1 2 339.480 2.256 20 30 EEEDLO C#CCN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)C1CCCCC1 ZINC000490780736 468249928 /nfs/dbraw/zinc/24/99/28/468249928.db2.gz QKWARNLZBKBLAM-UHFFFAOYSA-N 1 2 342.487 2.427 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(F)c(Br)c1 ZINC000582236586 468510583 /nfs/dbraw/zinc/51/05/83/468510583.db2.gz DABPROIFPKBDJX-LLVKDONJSA-N 1 2 330.201 2.206 20 30 EEEDLO C#CC[N@@H+](CC#CC)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000490866732 468259038 /nfs/dbraw/zinc/25/90/38/468259038.db2.gz SQJLMUKXMOQHFB-INIZCTEOSA-N 1 2 328.375 2.182 20 30 EEEDLO C#CC[N@H+](CC#CC)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000490866732 468259045 /nfs/dbraw/zinc/25/90/45/468259045.db2.gz SQJLMUKXMOQHFB-INIZCTEOSA-N 1 2 328.375 2.182 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(F)c(Br)c1 ZINC000582236586 468510578 /nfs/dbraw/zinc/51/05/78/468510578.db2.gz DABPROIFPKBDJX-LLVKDONJSA-N 1 2 330.201 2.206 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000556770276 468570150 /nfs/dbraw/zinc/57/01/50/468570150.db2.gz JLZOYSAMDRHXRP-OWCLPIDISA-N 1 2 326.400 2.484 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1C#N ZINC000594422328 468580270 /nfs/dbraw/zinc/58/02/70/468580270.db2.gz XQSAEXRWOSZMNO-ZIAGYGMSSA-N 1 2 346.456 2.127 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1C#N ZINC000594422328 468580273 /nfs/dbraw/zinc/58/02/73/468580273.db2.gz XQSAEXRWOSZMNO-ZIAGYGMSSA-N 1 2 346.456 2.127 20 30 EEEDLO C[NH+](C)[C@H](C(=O)Nc1n[nH]c(C2CC2)c1C#N)c1ccc(Cl)cc1 ZINC000594421520 468580790 /nfs/dbraw/zinc/58/07/90/468580790.db2.gz XPTXONZCIVYRSS-HNNXBMFYSA-N 1 2 343.818 3.054 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+]([C@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000592145912 468636743 /nfs/dbraw/zinc/63/67/43/468636743.db2.gz BFOLXHDMFCPVIX-PZJWPPBQSA-N 1 2 349.434 2.395 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+]([C@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000592145912 468636746 /nfs/dbraw/zinc/63/67/46/468636746.db2.gz BFOLXHDMFCPVIX-PZJWPPBQSA-N 1 2 349.434 2.395 20 30 EEEDLO Cc1cc(C)n(-c2ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc2F)n1 ZINC000584175842 468813949 /nfs/dbraw/zinc/81/39/49/468813949.db2.gz NOCYXMSDUGSGQF-SFHVURJKSA-N 1 2 343.406 2.202 20 30 EEEDLO Cc1nc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)sc1SCC#N ZINC000592946903 468825641 /nfs/dbraw/zinc/82/56/41/468825641.db2.gz KORIFLZQEHEXNH-SNVBAGLBSA-N 1 2 333.442 2.465 20 30 EEEDLO C[C@H](Oc1ccc(F)cc1Cl)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593154701 468889365 /nfs/dbraw/zinc/88/93/65/468889365.db2.gz UPZYUORYHAQLKC-BONVTDFDSA-N 1 2 327.787 2.206 20 30 EEEDLO COc1cc(Br)ccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000593154933 468889528 /nfs/dbraw/zinc/88/95/28/468889528.db2.gz ZIFQIYLVRBKTSF-AWEZNQCLSA-N 1 2 340.221 2.031 20 30 EEEDLO Cc1nc2ccccn2c1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000561443293 468894264 /nfs/dbraw/zinc/89/42/64/468894264.db2.gz FKTHESOONJQDQZ-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000572216058 468899996 /nfs/dbraw/zinc/89/99/96/468899996.db2.gz YWDQDDKSVINVON-MSOLQXFVSA-N 1 2 340.427 2.464 20 30 EEEDLO COC(=O)c1cccc(C[NH+]2CCN(c3ccsc3C#N)CC2)n1 ZINC000595629875 468930700 /nfs/dbraw/zinc/93/07/00/468930700.db2.gz OQLUAUBUMJWXAD-UHFFFAOYSA-N 1 2 342.424 2.124 20 30 EEEDLO N#Cc1sccc1N1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000595629598 468930754 /nfs/dbraw/zinc/93/07/54/468930754.db2.gz GTYIBUWOPTXWCD-UHFFFAOYSA-N 1 2 341.440 2.315 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1cc(C(=O)OC)ccc1C)[C@@H](C)COC ZINC000595639819 468935224 /nfs/dbraw/zinc/93/52/24/468935224.db2.gz WYJWPUKGSJRESG-AWEZNQCLSA-N 1 2 334.416 2.243 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1cc(C(=O)OC)ccc1C)[C@@H](C)COC ZINC000595639819 468935227 /nfs/dbraw/zinc/93/52/27/468935227.db2.gz WYJWPUKGSJRESG-AWEZNQCLSA-N 1 2 334.416 2.243 20 30 EEEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000562374002 468944944 /nfs/dbraw/zinc/94/49/44/468944944.db2.gz BURMLEAJNWSHJP-CQSZACIVSA-N 1 2 326.400 2.387 20 30 EEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000598739418 468979805 /nfs/dbraw/zinc/97/98/05/468979805.db2.gz YJHNZOQKMVCSLM-ZDUSSCGKSA-N 1 2 341.415 2.302 20 30 EEEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614721130 469028488 /nfs/dbraw/zinc/02/84/88/469028488.db2.gz HLRNJEJTVKQDCN-HZPDHXFCSA-N 1 2 329.400 2.214 20 30 EEEDLO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)CC#N)c(OC)c1 ZINC000602863591 469128366 /nfs/dbraw/zinc/12/83/66/469128366.db2.gz OSHHGFUFKHMHPO-CJNGLKHVSA-N 1 2 331.416 2.259 20 30 EEEDLO N#CCCN1CC[NH+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000611174578 469181727 /nfs/dbraw/zinc/18/17/27/469181727.db2.gz IBOBVOQOPQHHJR-LJQANCHMSA-N 1 2 340.471 2.271 20 30 EEEDLO N#Cc1cc(O)cc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000589170173 469205943 /nfs/dbraw/zinc/20/59/43/469205943.db2.gz KYQQNUWNRHTDPX-UHFFFAOYSA-N 1 2 337.379 2.348 20 30 EEEDLO CCc1cc(N)nc(SC[C@@H](O)COc2ccc(CC#N)cc2)[nH+]1 ZINC000563438304 469240060 /nfs/dbraw/zinc/24/00/60/469240060.db2.gz FLUUPOBABGAWMK-AWEZNQCLSA-N 1 2 344.440 2.219 20 30 EEEDLO COc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)sc1Br ZINC000563626073 469242785 /nfs/dbraw/zinc/24/27/85/469242785.db2.gz PIJFEHDRUPVYAG-GFCCVEGCSA-N 1 2 346.250 2.093 20 30 EEEDLO CC(C)(C)c1cccc(OCC[NH+]2CCN(C(=O)CC#N)CC2)c1 ZINC000574766169 469279399 /nfs/dbraw/zinc/27/93/99/469279399.db2.gz FMNFJBPZSFYOGE-UHFFFAOYSA-N 1 2 329.444 2.421 20 30 EEEDLO CO[C@@H](C[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1)C1CCOCC1 ZINC000602429216 469311738 /nfs/dbraw/zinc/31/17/38/469311738.db2.gz VAGKZAVOVJAEEP-UXHICEINSA-N 1 2 343.471 2.138 20 30 EEEDLO CO[C@@H](C[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1)C1CCOCC1 ZINC000602429216 469311741 /nfs/dbraw/zinc/31/17/41/469311741.db2.gz VAGKZAVOVJAEEP-UXHICEINSA-N 1 2 343.471 2.138 20 30 EEEDLO COC1CC[NH+](Cc2cn(CCc3ccc(C#N)cc3)nn2)CC1 ZINC000603246187 469323193 /nfs/dbraw/zinc/32/31/93/469323193.db2.gz AMVQRQBUKUSKMH-UHFFFAOYSA-N 1 2 325.416 2.003 20 30 EEEDLO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612155152 469407604 /nfs/dbraw/zinc/40/76/04/469407604.db2.gz QPUXHNHQPAOZTJ-KSSFIOAISA-N 1 2 328.416 2.027 20 30 EEEDLO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612155152 469407606 /nfs/dbraw/zinc/40/76/06/469407606.db2.gz QPUXHNHQPAOZTJ-KSSFIOAISA-N 1 2 328.416 2.027 20 30 EEEDLO COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@](C)(C#N)C2)cc1F ZINC000612159354 469408539 /nfs/dbraw/zinc/40/85/39/469408539.db2.gz AINBOKZXQROVNK-GOSISDBHSA-N 1 2 333.407 2.418 20 30 EEEDLO COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@](C)(C#N)C2)cc1F ZINC000612159354 469408543 /nfs/dbraw/zinc/40/85/43/469408543.db2.gz AINBOKZXQROVNK-GOSISDBHSA-N 1 2 333.407 2.418 20 30 EEEDLO N#C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccccc1Br ZINC000619436323 469605139 /nfs/dbraw/zinc/60/51/39/469605139.db2.gz XKVWOZGFZALWQQ-CYBMUJFWSA-N 1 2 333.189 2.486 20 30 EEEDLO N#C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccccc1Br ZINC000619436323 469605141 /nfs/dbraw/zinc/60/51/41/469605141.db2.gz XKVWOZGFZALWQQ-CYBMUJFWSA-N 1 2 333.189 2.486 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617728859 469777344 /nfs/dbraw/zinc/77/73/44/469777344.db2.gz ZBXJNIHRHDMVOC-LSDHHAIUSA-N 1 2 348.443 2.099 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617728859 469777346 /nfs/dbraw/zinc/77/73/46/469777346.db2.gz ZBXJNIHRHDMVOC-LSDHHAIUSA-N 1 2 348.443 2.099 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609484566 469932279 /nfs/dbraw/zinc/93/22/79/469932279.db2.gz AFJCJUNDYZGXTA-KRWDZBQOSA-N 1 2 332.404 2.139 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N(C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000609537961 469937573 /nfs/dbraw/zinc/93/75/73/469937573.db2.gz GNLQKZVCNBITDK-BZSNNMDCSA-N 1 2 334.508 2.189 20 30 EEEDLO C=CCNS(=O)(=O)c1ccccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000641344364 470319959 /nfs/dbraw/zinc/31/99/59/470319959.db2.gz VBRRJSQHNWSJFW-OAHLLOKOSA-N 1 2 346.456 2.189 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000668967899 471330996 /nfs/dbraw/zinc/33/09/96/471330996.db2.gz KUAQKRJRPFPTPK-OAHLLOKOSA-N 1 2 344.459 2.159 20 30 EEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661326325 471716535 /nfs/dbraw/zinc/71/65/35/471716535.db2.gz PZRFXDODFXJHGB-RTBURBONSA-N 1 2 343.471 2.290 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000672782247 486193044 /nfs/dbraw/zinc/19/30/44/486193044.db2.gz JMEGLKYXRCGIRF-RHSMWYFYSA-N 1 2 329.444 2.150 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000672782247 486193050 /nfs/dbraw/zinc/19/30/50/486193050.db2.gz JMEGLKYXRCGIRF-RHSMWYFYSA-N 1 2 329.444 2.150 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000682164362 486430631 /nfs/dbraw/zinc/43/06/31/486430631.db2.gz OBJMYQWFOYGVGH-QAPCUYQASA-N 1 2 335.448 2.245 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000682164362 486430636 /nfs/dbraw/zinc/43/06/36/486430636.db2.gz OBJMYQWFOYGVGH-QAPCUYQASA-N 1 2 335.448 2.245 20 30 EEEDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000171956584 534005136 /nfs/dbraw/zinc/00/51/36/534005136.db2.gz SNPAGVNEHLTFKV-ZDUSSCGKSA-N 1 2 346.431 2.342 20 30 EEEDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000171956584 534005142 /nfs/dbraw/zinc/00/51/42/534005142.db2.gz SNPAGVNEHLTFKV-ZDUSSCGKSA-N 1 2 346.431 2.342 20 30 EEEDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000093050615 529266287 /nfs/dbraw/zinc/26/62/87/529266287.db2.gz LESDKSPFDHBMBY-OAHLLOKOSA-N 1 2 331.416 2.088 20 30 EEEDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000093050615 529266288 /nfs/dbraw/zinc/26/62/88/529266288.db2.gz LESDKSPFDHBMBY-OAHLLOKOSA-N 1 2 331.416 2.088 20 30 EEEDLO CCN1CC[NH+](CC(C)(C)NC(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000456888082 535669920 /nfs/dbraw/zinc/66/99/20/535669920.db2.gz WNQJPTVQWSDTSH-UHFFFAOYSA-N 1 2 348.878 2.358 20 30 EEEDLO C=CCN(Cc1ccccc1F)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726255992 576251104 /nfs/dbraw/zinc/25/11/04/576251104.db2.gz XACIADGTGZEANB-OAHLLOKOSA-N 1 2 335.423 2.244 20 30 EEEDLO C=CCN(Cc1ccccc1F)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726255992 576251107 /nfs/dbraw/zinc/25/11/07/576251107.db2.gz XACIADGTGZEANB-OAHLLOKOSA-N 1 2 335.423 2.244 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000726462185 576267136 /nfs/dbraw/zinc/26/71/36/576267136.db2.gz DKMKZJQEJOGUCQ-LLVKDONJSA-N 1 2 338.864 2.219 20 30 EEEDLO CC(C)CC[C@H]1CCCC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000727254365 576415452 /nfs/dbraw/zinc/41/54/52/576415452.db2.gz ROYLCHWKZUHGDC-OAHLLOKOSA-N 1 2 340.537 2.375 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3cc(C)ccc3OC)CC2)nc1 ZINC000728804208 576530996 /nfs/dbraw/zinc/53/09/96/576530996.db2.gz LISSAMZDNSIIPQ-UHFFFAOYSA-N 1 2 349.434 2.338 20 30 EEEDLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000728915707 576559805 /nfs/dbraw/zinc/55/98/05/576559805.db2.gz KXLBLGSGUCLUDE-YPOUMIDOSA-N 1 2 341.455 2.077 20 30 EEEDLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000728915707 576559807 /nfs/dbraw/zinc/55/98/07/576559807.db2.gz KXLBLGSGUCLUDE-YPOUMIDOSA-N 1 2 341.455 2.077 20 30 EEEDLO C#Cc1ccc(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)nc1 ZINC000728962551 576567087 /nfs/dbraw/zinc/56/70/87/576567087.db2.gz HKWXLVQITBRMKS-UHFFFAOYSA-N 1 2 347.378 2.028 20 30 EEEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)[C@@H]1CCCO1 ZINC000773553939 577350394 /nfs/dbraw/zinc/35/03/94/577350394.db2.gz DCIWRZCZBAYBDY-PVAVHDDUSA-N 1 2 347.484 2.317 20 30 EEEDLO C#C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)[C@H]1CCCO1 ZINC000775801142 577446298 /nfs/dbraw/zinc/44/62/98/577446298.db2.gz WNEPHLSDYMQXAY-HUUCEWRRSA-N 1 2 330.819 2.406 20 30 EEEDLO N#CCc1ccccc1CC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000777288882 577476154 /nfs/dbraw/zinc/47/61/54/577476154.db2.gz XYOWQJDCBXLMLG-UHFFFAOYSA-N 1 2 334.423 2.035 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@](CC)(c2ccc(CC)cc2)C1=O ZINC000766661264 577522934 /nfs/dbraw/zinc/52/29/34/577522934.db2.gz AKZMVNWNTCPTRN-IFXJQAMLSA-N 1 2 327.428 2.317 20 30 EEEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@](CC)(c2ccc(CC)cc2)C1=O ZINC000766661264 577522935 /nfs/dbraw/zinc/52/29/35/577522935.db2.gz AKZMVNWNTCPTRN-IFXJQAMLSA-N 1 2 327.428 2.317 20 30 EEEDLO C=c1[nH]c(=O)[nH]c(=O)c1=C(C)[NH2+]Nc1ccnc(Br)c1 ZINC000769809601 577584977 /nfs/dbraw/zinc/58/49/77/577584977.db2.gz DODWMYRXPFIZHS-UHFFFAOYSA-N 1 2 338.165 2.190 20 30 EEEDLO C#CCCCC(=O)N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000760470847 577663499 /nfs/dbraw/zinc/66/34/99/577663499.db2.gz KLLYBOFVNXELNN-QGZVFWFLSA-N 1 2 334.847 2.321 20 30 EEEDLO CC[N@H+](CC(=O)N(C)C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000764191786 577732608 /nfs/dbraw/zinc/73/26/08/577732608.db2.gz IMQALDDREYMQJF-INIZCTEOSA-N 1 2 344.459 2.040 20 30 EEEDLO CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000764191786 577732609 /nfs/dbraw/zinc/73/26/09/577732609.db2.gz IMQALDDREYMQJF-INIZCTEOSA-N 1 2 344.459 2.040 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CN(CC2CCC2)c2ccccc2)CC1 ZINC000752354217 577769499 /nfs/dbraw/zinc/76/94/99/577769499.db2.gz FCNRJMHBLHLRJL-UHFFFAOYSA-N 1 2 325.456 2.071 20 30 EEEDLO C[N@H+](CC(F)F)C1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000753116541 577781855 /nfs/dbraw/zinc/78/18/55/577781855.db2.gz TYIGVLGRCSYKSE-UHFFFAOYSA-N 1 2 325.319 2.027 20 30 EEEDLO C[N@@H+](CC(F)F)C1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000753116541 577781856 /nfs/dbraw/zinc/78/18/56/577781856.db2.gz TYIGVLGRCSYKSE-UHFFFAOYSA-N 1 2 325.319 2.027 20 30 EEEDLO Cc1cccn2c(C=NNC(=S)NCCc3ccccn3)c[nH+]c12 ZINC000755682386 577829192 /nfs/dbraw/zinc/82/91/92/577829192.db2.gz HEDGAYPWTGOQQN-UHFFFAOYSA-N 1 2 338.440 2.078 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C[C@]2(CCOC2)CC1=O ZINC000756847961 577851221 /nfs/dbraw/zinc/85/12/21/577851221.db2.gz MBTALSBMTUMVHP-IBGZPJMESA-N 1 2 330.428 2.280 20 30 EEEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C[C@]2(CCOC2)CC1=O ZINC000756847961 577851222 /nfs/dbraw/zinc/85/12/22/577851222.db2.gz MBTALSBMTUMVHP-IBGZPJMESA-N 1 2 330.428 2.280 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@H](C)S1 ZINC000744411961 577897425 /nfs/dbraw/zinc/89/74/25/577897425.db2.gz BKQGXAPYNHQAGF-BETUJISGSA-N 1 2 328.441 2.246 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@H](C)S1 ZINC000744411961 577897426 /nfs/dbraw/zinc/89/74/26/577897426.db2.gz BKQGXAPYNHQAGF-BETUJISGSA-N 1 2 328.441 2.246 20 30 EEEDLO CC[NH+](CC)[C@@H](C(=O)O[C@@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000744998389 577906491 /nfs/dbraw/zinc/90/64/91/577906491.db2.gz RSYQMLCMPCJDKN-DOTOQJQBSA-N 1 2 345.443 2.373 20 30 EEEDLO Cc1cc(C(N)=[NH+]OCc2nc(-c3ccccn3)no2)ccc1F ZINC000746049322 577921576 /nfs/dbraw/zinc/92/15/76/577921576.db2.gz ZBOGAGYMYKOAHL-UHFFFAOYSA-N 1 2 327.319 2.416 20 30 EEEDLO COc1cc([N+](=O)[O-])ccc1N[NH+]=Cc1ccc(N(C)CCO)cc1 ZINC000746679438 577932363 /nfs/dbraw/zinc/93/23/63/577932363.db2.gz GVOLVXKBQZJOBI-UHFFFAOYSA-N 1 2 344.371 2.478 20 30 EEEDLO NC(=[NH+]OC[C@@H]1CCOC1)c1ccc(OCc2cccnc2)cc1 ZINC000747832370 577950953 /nfs/dbraw/zinc/95/09/53/577950953.db2.gz QPYYEKIKRDWAHP-OAHLLOKOSA-N 1 2 327.384 2.334 20 30 EEEDLO C[C@H]1C[N@@H+](C2CC2)CC1N=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1 ZINC000820751975 606701549 /nfs/dbraw/zinc/70/15/49/606701549.db2.gz JJSQUZHZSQUWNY-VIFPVBQESA-N 1 2 344.423 2.034 20 30 EEEDLO C[C@H]1C[N@H+](C2CC2)CC1N=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1 ZINC000820751975 606701551 /nfs/dbraw/zinc/70/15/51/606701551.db2.gz JJSQUZHZSQUWNY-VIFPVBQESA-N 1 2 344.423 2.034 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC000969464146 675059795 /nfs/dbraw/zinc/05/97/95/675059795.db2.gz FYZIEYUCKBLXGO-FCEWJHQRSA-N 1 2 344.459 2.077 20 30 EEEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000969525499 675092239 /nfs/dbraw/zinc/09/22/39/675092239.db2.gz CMIMETUFYXIPNN-LLVKDONJSA-N 1 2 344.365 2.415 20 30 EEEDLO C[C@@H](NC(=O)[C@@H]1CC12CC2)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970494604 675936701 /nfs/dbraw/zinc/93/67/01/675936701.db2.gz KNKOIIGGPRJTJO-WBMJQRKESA-N 1 2 327.403 2.434 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2n[nH]c3c2C[C@H](C)CC3)C1 ZINC000970669451 676065585 /nfs/dbraw/zinc/06/55/85/676065585.db2.gz VPGYAASPUCFSBM-PWSUYJOCSA-N 1 2 336.867 2.337 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnc(C)nc2C2CC2)C1 ZINC000970820803 676180556 /nfs/dbraw/zinc/18/05/56/676180556.db2.gz BTACPKZPFGNXMX-NSHDSACASA-N 1 2 334.851 2.465 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccc3c2OCCO3)C1 ZINC000969792815 675209517 /nfs/dbraw/zinc/20/95/17/675209517.db2.gz LVIGXRXRCQJWHZ-GFCCVEGCSA-N 1 2 336.819 2.260 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2[nH]cnc2C(F)(F)F)C1 ZINC000969836906 675239596 /nfs/dbraw/zinc/23/95/96/675239596.db2.gz OSQINDHSKCAYDE-QMMMGPOBSA-N 1 2 336.745 2.231 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c(C)[nH]cc2NC(C)=O)C1 ZINC000970006886 675379508 /nfs/dbraw/zinc/37/95/08/675379508.db2.gz JBYPDPJROGAMKD-JTQLQIEISA-N 1 2 338.839 2.084 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ncc(CC)o2)C1 ZINC000970221267 675727932 /nfs/dbraw/zinc/72/79/32/675727932.db2.gz UYFWTTMNYWMYPW-HFTRVMKXSA-N 1 2 347.459 2.299 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccn(CC)n3)C2)cc1 ZINC000970256689 675750098 /nfs/dbraw/zinc/75/00/98/675750098.db2.gz OQJWBBMRFNORSY-HNNXBMFYSA-N 1 2 336.439 2.135 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C3(C4CCC4)CCC3)CC2)C1 ZINC000949427807 676254373 /nfs/dbraw/zinc/25/43/73/676254373.db2.gz ZSSKVYLWQCFDMR-UHFFFAOYSA-N 1 2 330.472 2.283 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C3(C4CCC4)CCC3)CC2)C1 ZINC000949427807 676254375 /nfs/dbraw/zinc/25/43/75/676254375.db2.gz ZSSKVYLWQCFDMR-UHFFFAOYSA-N 1 2 330.472 2.283 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021635591 676290459 /nfs/dbraw/zinc/29/04/59/676290459.db2.gz KWMKKOFKRWIDIP-JKSUJKDBSA-N 1 2 336.867 2.257 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cncc2C)C1 ZINC001021635591 676290462 /nfs/dbraw/zinc/29/04/62/676290462.db2.gz KWMKKOFKRWIDIP-JKSUJKDBSA-N 1 2 336.867 2.257 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001021663077 676318148 /nfs/dbraw/zinc/31/81/48/676318148.db2.gz UJIGRHQFZDQASJ-OWCLPIDISA-N 1 2 344.459 2.106 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)c2cc[nH]c2)C1 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/nfs/dbraw/zinc/10/93/22/679109322.db2.gz HDTXDZSVDSOVIY-OAHLLOKOSA-N 1 2 348.491 2.498 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC001042057088 679135005 /nfs/dbraw/zinc/13/50/05/679135005.db2.gz GAHVTWHVQYQBFB-HUUCEWRRSA-N 1 2 337.261 2.231 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC001042057088 679135007 /nfs/dbraw/zinc/13/50/07/679135007.db2.gz GAHVTWHVQYQBFB-HUUCEWRRSA-N 1 2 337.261 2.231 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3ccc(C)o3)C2)C1 ZINC000972586312 679364216 /nfs/dbraw/zinc/36/42/16/679364216.db2.gz WGALPTSOEVNYCM-QFBILLFUSA-N 1 2 330.428 2.018 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3ccc(C)o3)C2)C1 ZINC000972586312 679364217 /nfs/dbraw/zinc/36/42/17/679364217.db2.gz WGALPTSOEVNYCM-QFBILLFUSA-N 1 2 330.428 2.018 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cn(CC)nn3)C2)CC1 ZINC001023573365 679386923 /nfs/dbraw/zinc/38/69/23/679386923.db2.gz XTWHNUOSOKJGLL-INIZCTEOSA-N 1 2 345.491 2.373 20 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679598450 /nfs/dbraw/zinc/59/84/50/679598450.db2.gz IPMJEAJNFGSZGF-GHTZIAJQSA-N 1 2 340.467 2.425 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3ccccc3C)C2)C1 ZINC000972684192 679598453 /nfs/dbraw/zinc/59/84/53/679598453.db2.gz IPMJEAJNFGSZGF-GHTZIAJQSA-N 1 2 340.467 2.425 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@H](NC(=O)C(C)C)C(C)(C)C2)c1 ZINC000972821979 679802176 /nfs/dbraw/zinc/80/21/76/679802176.db2.gz XNHRKKLSHVZKFF-KRWDZBQOSA-N 1 2 341.455 2.089 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@H](NC(=O)C(C)C)C(C)(C)C2)c1 ZINC000972821979 679802178 /nfs/dbraw/zinc/80/21/78/679802178.db2.gz XNHRKKLSHVZKFF-KRWDZBQOSA-N 1 2 341.455 2.089 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)c1cocn1 ZINC000972858771 679821872 /nfs/dbraw/zinc/82/18/72/679821872.db2.gz DFLBOZHEAZEALK-AWEZNQCLSA-N 1 2 330.413 2.248 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)c1cocn1 ZINC000972858771 679821873 /nfs/dbraw/zinc/82/18/73/679821873.db2.gz DFLBOZHEAZEALK-AWEZNQCLSA-N 1 2 330.413 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/nfs/dbraw/zinc/22/28/20/681222820.db2.gz MXQYYJRYZNZJSS-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1nc[nH]c1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001028352823 681222824 /nfs/dbraw/zinc/22/28/24/681222824.db2.gz MXQYYJRYZNZJSS-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC001028354992 681223950 /nfs/dbraw/zinc/22/39/50/681223950.db2.gz ZHPLLMXIBJGFHE-CYBMUJFWSA-N 1 2 348.834 2.226 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC001028354992 681223954 /nfs/dbraw/zinc/22/39/54/681223954.db2.gz ZHPLLMXIBJGFHE-CYBMUJFWSA-N 1 2 348.834 2.226 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ncc(C)o1 ZINC001024660437 681324289 /nfs/dbraw/zinc/32/42/89/681324289.db2.gz OMPFGBWZERJKEJ-OAGGEKHMSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ncc(C)o1 ZINC001024660437 681324292 /nfs/dbraw/zinc/32/42/92/681324292.db2.gz OMPFGBWZERJKEJ-OAGGEKHMSA-N 1 2 333.432 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CC#CCCCC(=O)NC[C@]1(C)C[N@H+](Cc2ncccc2C)CCO1 ZINC001108142723 1196533658 /nfs/dbraw/zinc/53/36/58/1196533658.db2.gz ZOIGHRMSPJXNFP-HXUWFJFHSA-N 1 2 343.471 2.291 20 30 EEEDLO CC#CCCCC(=O)NC[C@]1(C)C[N@@H+](Cc2ncccc2C)CCO1 ZINC001108142723 1196533660 /nfs/dbraw/zinc/53/36/60/1196533660.db2.gz ZOIGHRMSPJXNFP-HXUWFJFHSA-N 1 2 343.471 2.291 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001014802217 1224371439 /nfs/dbraw/zinc/37/14/39/1224371439.db2.gz USJATCNOXBCYTI-HFTRVMKXSA-N 1 2 345.418 2.203 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001014802217 1224371449 /nfs/dbraw/zinc/37/14/49/1224371449.db2.gz USJATCNOXBCYTI-HFTRVMKXSA-N 1 2 345.418 2.203 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000864628151 1197850531 /nfs/dbraw/zinc/85/05/31/1197850531.db2.gz CYRMSLGZLVIJJO-UHFFFAOYSA-N 1 2 342.424 2.218 20 30 EEEDLO COc1cc(C[N@@H+]2C[C@@H](NC(=O)C#CC(C)C)CC[C@H]2C)sn1 ZINC001132018964 1199214699 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C[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cn[nH]c1 ZINC000965367450 1219040488 /nfs/dbraw/zinc/04/04/88/1219040488.db2.gz AMBRYBGLDWMJLY-RDTXWAMCSA-N 1 2 340.402 2.041 20 30 EEEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1cn[nH]c1 ZINC000965367450 1219040490 /nfs/dbraw/zinc/04/04/90/1219040490.db2.gz AMBRYBGLDWMJLY-RDTXWAMCSA-N 1 2 340.402 2.041 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000965851890 1219291446 /nfs/dbraw/zinc/29/14/46/1219291446.db2.gz OYTIOWOOTLBCRR-SJKOYZFVSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000965851890 1219291450 /nfs/dbraw/zinc/29/14/50/1219291450.db2.gz OYTIOWOOTLBCRR-SJKOYZFVSA-N 1 2 341.390 2.061 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cnn(C)c2Cl)C1 ZINC000966942690 1220137813 /nfs/dbraw/zinc/13/78/13/1220137813.db2.gz IUFBOLRBOTXUHL-JOYOIKCWSA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cnn(C)c2Cl)C1 ZINC000966942690 1220137814 /nfs/dbraw/zinc/13/78/14/1220137814.db2.gz IUFBOLRBOTXUHL-JOYOIKCWSA-N 1 2 331.247 2.266 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1n[nH]cc1F ZINC000968253229 1221154197 /nfs/dbraw/zinc/15/41/97/1221154197.db2.gz MJXCSAKEAGPMBW-LRDDRELGSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1n[nH]cc1F ZINC000968253229 1221154201 /nfs/dbraw/zinc/15/42/01/1221154201.db2.gz MJXCSAKEAGPMBW-LRDDRELGSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1n[nH]cc1F ZINC000968253226 1221154487 /nfs/dbraw/zinc/15/44/87/1221154487.db2.gz MJXCSAKEAGPMBW-BLLLJJGKSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1n[nH]cc1F ZINC000968253226 1221154489 /nfs/dbraw/zinc/15/44/89/1221154489.db2.gz MJXCSAKEAGPMBW-BLLLJJGKSA-N 1 2 341.390 2.061 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccc(OC)nn3)CC[C@@H]2C)C1 ZINC000968272755 1221168441 /nfs/dbraw/zinc/16/84/41/1221168441.db2.gz 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C[C@H](CCCNc1[nH+]cnc2c1cnn2C)NC(=O)C#CC(C)(C)C ZINC001114923612 1221471709 /nfs/dbraw/zinc/47/17/09/1221471709.db2.gz CYLBLKTURFSEMN-CYBMUJFWSA-N 1 2 342.447 2.110 20 30 EEEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(P(C)(C)=O)cc2)C1 ZINC000968669612 1221479097 /nfs/dbraw/zinc/47/90/97/1221479097.db2.gz PONQXGJXZZMVOD-RHSMWYFYSA-N 1 2 332.384 2.008 20 30 EEEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(P(C)(C)=O)cc2)C1 ZINC000968669612 1221479100 /nfs/dbraw/zinc/47/91/00/1221479100.db2.gz PONQXGJXZZMVOD-RHSMWYFYSA-N 1 2 332.384 2.008 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(CC)no2)C1 ZINC000968920506 1221671893 /nfs/dbraw/zinc/67/18/93/1221671893.db2.gz RTHYASNACVJODN-ZIAGYGMSSA-N 1 2 343.431 2.185 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)Cc3ccon3)C2)c(F)c1 ZINC001006961004 1222037510 /nfs/dbraw/zinc/03/75/10/1222037510.db2.gz YOHUVVZLJUYDRJ-INIZCTEOSA-N 1 2 342.374 2.009 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)Cc3ccon3)C2)c(F)c1 ZINC001006961004 1222037513 /nfs/dbraw/zinc/03/75/13/1222037513.db2.gz YOHUVVZLJUYDRJ-INIZCTEOSA-N 1 2 342.374 2.009 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCCCO3)C2)cc1F ZINC001007122242 1222102586 /nfs/dbraw/zinc/10/25/86/1222102586.db2.gz QWYXEIQNDVNEST-SJLPKXTDSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CCCCO3)C2)cc1F ZINC001007122242 1222102589 /nfs/dbraw/zinc/10/25/89/1222102589.db2.gz QWYXEIQNDVNEST-SJLPKXTDSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccns3)C2)cc1 ZINC001007445873 1222231780 /nfs/dbraw/zinc/23/17/80/1222231780.db2.gz WNJCIZUZVHYMBE-HNNXBMFYSA-N 1 2 326.425 2.409 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccns3)C2)cc1 ZINC001007445873 1222231784 /nfs/dbraw/zinc/23/17/84/1222231784.db2.gz WNJCIZUZVHYMBE-HNNXBMFYSA-N 1 2 326.425 2.409 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2ccc(C(F)F)n2)C1 ZINC001007478564 1222250192 /nfs/dbraw/zinc/25/01/92/1222250192.db2.gz WTAARJUIWYHQJD-LLVKDONJSA-N 1 2 332.782 2.154 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc(C(F)F)n2)C1 ZINC001007478564 1222250195 /nfs/dbraw/zinc/25/01/95/1222250195.db2.gz WTAARJUIWYHQJD-LLVKDONJSA-N 1 2 332.782 2.154 20 30 EEEDLO COC1CC(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001007558137 1222293161 /nfs/dbraw/zinc/29/31/61/1222293161.db2.gz XNJZVPKAUZXIPI-ADKAHSJRSA-N 1 2 327.428 2.064 20 30 EEEDLO COC1CC(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001007558137 1222293162 /nfs/dbraw/zinc/29/31/62/1222293162.db2.gz XNJZVPKAUZXIPI-ADKAHSJRSA-N 1 2 327.428 2.064 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001008385428 1222800925 /nfs/dbraw/zinc/80/09/25/1222800925.db2.gz MLCZICIUMIJWRM-GFCCVEGCSA-N 1 2 330.413 2.311 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001008385428 1222800930 /nfs/dbraw/zinc/80/09/30/1222800930.db2.gz MLCZICIUMIJWRM-GFCCVEGCSA-N 1 2 330.413 2.311 20 30 EEEDLO CCc1nocc1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001008441602 1222839598 /nfs/dbraw/zinc/83/95/98/1222839598.db2.gz JOWPKKBCBLGAMF-QGZVFWFLSA-N 1 2 337.423 2.483 20 30 EEEDLO CCc1nocc1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001008441602 1222839600 /nfs/dbraw/zinc/83/96/00/1222839600.db2.gz JOWPKKBCBLGAMF-QGZVFWFLSA-N 1 2 337.423 2.483 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)CC1 ZINC001008550945 1222922019 /nfs/dbraw/zinc/92/20/19/1222922019.db2.gz WUWYXRCBIPJXCM-INIZCTEOSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001008581176 1222941955 /nfs/dbraw/zinc/94/19/55/1222941955.db2.gz JEGPVHVPDVTTJQ-INMHGKMJSA-N 1 2 347.459 2.470 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001008581176 1222941959 /nfs/dbraw/zinc/94/19/59/1222941959.db2.gz JEGPVHVPDVTTJQ-INMHGKMJSA-N 1 2 347.459 2.470 20 30 EEEDLO COc1cccc(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)n1 ZINC001009054071 1223125286 /nfs/dbraw/zinc/12/52/86/1223125286.db2.gz YRZAOGFWWKKCLD-SFHVURJKSA-N 1 2 349.434 2.336 20 30 EEEDLO COc1cccc(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)n1 ZINC001009054071 1223125287 /nfs/dbraw/zinc/12/52/87/1223125287.db2.gz YRZAOGFWWKKCLD-SFHVURJKSA-N 1 2 349.434 2.336 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001009059667 1223127535 /nfs/dbraw/zinc/12/75/35/1223127535.db2.gz RTLFIMHYTBWFFC-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001009059667 1223127539 /nfs/dbraw/zinc/12/75/39/1223127539.db2.gz RTLFIMHYTBWFFC-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001009118666 1223145999 /nfs/dbraw/zinc/14/59/99/1223145999.db2.gz VUJOEZJHQPIGDR-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001009118666 1223146001 /nfs/dbraw/zinc/14/60/01/1223146001.db2.gz VUJOEZJHQPIGDR-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3conc3CC)C2)cn1 ZINC001009268888 1223194545 /nfs/dbraw/zinc/19/45/45/1223194545.db2.gz MKUAVNXICYATHK-KRWDZBQOSA-N 1 2 338.411 2.008 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3conc3CC)C2)cn1 ZINC001009268888 1223194547 /nfs/dbraw/zinc/19/45/47/1223194547.db2.gz MKUAVNXICYATHK-KRWDZBQOSA-N 1 2 338.411 2.008 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)c3cnc(C)cn3)C2)cn1 ZINC001009276513 1223196674 /nfs/dbraw/zinc/19/66/74/1223196674.db2.gz OUYLWPGLWOIARL-MAUKXSAKSA-N 1 2 349.438 2.117 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)c3cnc(C)cn3)C2)cn1 ZINC001009276513 1223196676 /nfs/dbraw/zinc/19/66/76/1223196676.db2.gz OUYLWPGLWOIARL-MAUKXSAKSA-N 1 2 349.438 2.117 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)cn1 ZINC001010180601 1223591235 /nfs/dbraw/zinc/59/12/35/1223591235.db2.gz UFIVSHPTHSZPFE-QGZVFWFLSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)cn1 ZINC001010180601 1223591237 /nfs/dbraw/zinc/59/12/37/1223591237.db2.gz UFIVSHPTHSZPFE-QGZVFWFLSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)o1 ZINC001010426666 1223715508 /nfs/dbraw/zinc/71/55/08/1223715508.db2.gz IRYOAHOMUSSEKU-QGZVFWFLSA-N 1 2 341.386 2.286 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)o1 ZINC001010426666 1223715510 /nfs/dbraw/zinc/71/55/10/1223715510.db2.gz IRYOAHOMUSSEKU-QGZVFWFLSA-N 1 2 341.386 2.286 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3CCCCO3)C2)c(F)c1 ZINC001010524609 1223764561 /nfs/dbraw/zinc/76/45/61/1223764561.db2.gz BGWAYAKEGNIVAR-IRXDYDNUSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C[C@@H]3CCCCO3)C2)c(F)c1 ZINC001010524609 1223764562 /nfs/dbraw/zinc/76/45/62/1223764562.db2.gz BGWAYAKEGNIVAR-IRXDYDNUSA-N 1 2 345.418 2.347 20 30 EEEDLO Cn1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC001010558235 1223781389 /nfs/dbraw/zinc/78/13/89/1223781389.db2.gz GUDDMFYHINDSJB-MRXNPFEDSA-N 1 2 326.375 2.040 20 30 EEEDLO Cn1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC001010558235 1223781390 /nfs/dbraw/zinc/78/13/90/1223781390.db2.gz GUDDMFYHINDSJB-MRXNPFEDSA-N 1 2 326.375 2.040 20 30 EEEDLO CCc1onc(C)c1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016228807 1226229723 /nfs/dbraw/zinc/22/97/23/1226229723.db2.gz INASKBPHDQCZMK-QGZVFWFLSA-N 1 2 337.423 2.401 20 30 EEEDLO CCc1onc(C)c1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016228807 1226229727 /nfs/dbraw/zinc/22/97/27/1226229727.db2.gz INASKBPHDQCZMK-QGZVFWFLSA-N 1 2 337.423 2.401 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001014456344 1226638045 /nfs/dbraw/zinc/63/80/45/1226638045.db2.gz CDQONBPTUQQRSW-INMHGKMJSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001014456344 1226638051 /nfs/dbraw/zinc/63/80/51/1226638051.db2.gz CDQONBPTUQQRSW-INMHGKMJSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001014463310 1226646595 /nfs/dbraw/zinc/64/65/95/1226646595.db2.gz UUGITUMHKUHPNZ-KFWWJZLASA-N 1 2 335.473 2.123 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001014463310 1226646601 /nfs/dbraw/zinc/64/66/01/1226646601.db2.gz UUGITUMHKUHPNZ-KFWWJZLASA-N 1 2 335.473 2.123 20 30 EEEDLO C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)c2cncc3nc[nH]c32)CC1 ZINC001016635406 1226709378 /nfs/dbraw/zinc/70/93/78/1226709378.db2.gz UAIJCXGANYXDOS-HNNXBMFYSA-N 1 2 325.416 2.118 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccnn1C(F)F ZINC001014577126 1226798486 /nfs/dbraw/zinc/79/84/86/1226798486.db2.gz GDHUMHXRWKZTLW-OAHLLOKOSA-N 1 2 344.365 2.134 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccnn1C(F)F ZINC001014577126 1226798491 /nfs/dbraw/zinc/79/84/91/1226798491.db2.gz GDHUMHXRWKZTLW-OAHLLOKOSA-N 1 2 344.365 2.134 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001017865955 1227806478 /nfs/dbraw/zinc/80/64/78/1227806478.db2.gz ATPXRTYMFIRVTR-IYBDPMFKSA-N 1 2 337.423 2.489 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001017865955 1227806481 /nfs/dbraw/zinc/80/64/81/1227806481.db2.gz ATPXRTYMFIRVTR-IYBDPMFKSA-N 1 2 337.423 2.489 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001019029825 1228653115 /nfs/dbraw/zinc/65/31/15/1228653115.db2.gz JYJJCXYJGYPYID-OAHLLOKOSA-N 1 2 344.459 2.107 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncc(C(C)C)o2)C1 ZINC001019500447 1229156034 /nfs/dbraw/zinc/15/60/34/1229156034.db2.gz XJJWBMHEKNZNJZ-MPGHIAIKSA-N 1 2 347.459 2.470 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccnn2C(F)F)c1 ZINC001038290946 1229726406 /nfs/dbraw/zinc/72/64/06/1229726406.db2.gz RVXLBJCQXKOSKK-CQSZACIVSA-N 1 2 345.353 2.154 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccnn2C(F)F)c1 ZINC001038290946 1229726409 /nfs/dbraw/zinc/72/64/09/1229726409.db2.gz RVXLBJCQXKOSKK-CQSZACIVSA-N 1 2 345.353 2.154 20 30 EEEDLO C=C(Br)CN1CC[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001038510127 1229882914 /nfs/dbraw/zinc/88/29/14/1229882914.db2.gz JDBWEYGQAQJEHC-LBPRGKRZSA-N 1 2 349.232 2.047 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001038630902 1229944817 /nfs/dbraw/zinc/94/48/17/1229944817.db2.gz YMFBXEHDPGTOKA-LHHMISFZSA-N 1 2 339.439 2.303 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001038630902 1229944820 /nfs/dbraw/zinc/94/48/20/1229944820.db2.gz YMFBXEHDPGTOKA-LHHMISFZSA-N 1 2 339.439 2.303 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2conc2C2CC2)cc1 ZINC001038684595 1229974844 /nfs/dbraw/zinc/97/48/44/1229974844.db2.gz OQOCTYWCBFUCPW-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2conc2C2CC2)cc1 ZINC001038684595 1229974846 /nfs/dbraw/zinc/97/48/46/1229974846.db2.gz OQOCTYWCBFUCPW-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CC23CCC3)cc1C#N ZINC001038760970 1230031343 /nfs/dbraw/zinc/03/13/43/1230031343.db2.gz FGARGRKMGOKHAI-IAGOWNOFSA-N 1 2 339.439 2.448 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CC23CCC3)cc1C#N ZINC001038760970 1230031347 /nfs/dbraw/zinc/03/13/47/1230031347.db2.gz FGARGRKMGOKHAI-IAGOWNOFSA-N 1 2 339.439 2.448 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1c(C)noc1C ZINC001038797379 1230063898 /nfs/dbraw/zinc/06/38/98/1230063898.db2.gz SFNOZIGSECAIAZ-RYRKJORJSA-N 1 2 347.459 2.353 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1c(C)noc1C ZINC001038797379 1230063902 /nfs/dbraw/zinc/06/39/02/1230063902.db2.gz SFNOZIGSECAIAZ-RYRKJORJSA-N 1 2 347.459 2.353 20 30 EEEDLO Cc1cc(=O)[nH]c(C)c1C(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001039036656 1230254235 /nfs/dbraw/zinc/25/42/35/1230254235.db2.gz UGFVMCKHJCXEST-GOSISDBHSA-N 1 2 349.434 2.260 20 30 EEEDLO Cc1cc(=O)[nH]c(C)c1C(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001039036656 1230254238 /nfs/dbraw/zinc/25/42/38/1230254238.db2.gz UGFVMCKHJCXEST-GOSISDBHSA-N 1 2 349.434 2.260 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ncccn2n1 ZINC001039456949 1230623145 /nfs/dbraw/zinc/62/31/45/1230623145.db2.gz WFJKMERCGUDBRK-KGLIPLIRSA-N 1 2 345.834 2.161 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ncccn2n1 ZINC001039456949 1230623147 /nfs/dbraw/zinc/62/31/47/1230623147.db2.gz WFJKMERCGUDBRK-KGLIPLIRSA-N 1 2 345.834 2.161 20 30 EEEDLO Cc1noc([C@@H](C)[N@@H+]2CCC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)n1 ZINC001040199171 1231095716 /nfs/dbraw/zinc/09/57/16/1231095716.db2.gz ZBWJDYDXMLOGIQ-KUHUBIRLSA-N 1 2 342.443 2.167 20 30 EEEDLO Cc1noc([C@@H](C)[N@H+]2CCC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)n1 ZINC001040199171 1231095719 /nfs/dbraw/zinc/09/57/19/1231095719.db2.gz ZBWJDYDXMLOGIQ-KUHUBIRLSA-N 1 2 342.443 2.167 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cn(C)nn1)C2 ZINC001040367792 1231189255 /nfs/dbraw/zinc/18/92/55/1231189255.db2.gz BKRBRKFMKPWDJH-RTBURBONSA-N 1 2 345.491 2.232 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cn(C)nn1)C2 ZINC001040367792 1231189258 /nfs/dbraw/zinc/18/92/58/1231189258.db2.gz BKRBRKFMKPWDJH-RTBURBONSA-N 1 2 345.491 2.232 20 30 EEEDLO Cc1nc([C@@H](C)[NH+]2CCC3(CCN(C(=O)C#CC4CC4)C3)CC2)no1 ZINC001040697588 1231339489 /nfs/dbraw/zinc/33/94/89/1231339489.db2.gz VJJRLFSLSFJNSS-CQSZACIVSA-N 1 2 342.443 2.167 20 30 EEEDLO Cc1nc([C@H](C)[NH+]2CCC3(CCN(C(=O)C#CC4CC4)C3)CC2)no1 ZINC001040697586 1231339750 /nfs/dbraw/zinc/33/97/50/1231339750.db2.gz VJJRLFSLSFJNSS-AWEZNQCLSA-N 1 2 342.443 2.167 20 30 EEEDLO Cc1nc(N[C@@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C23CCC3)cc[nH+]1 ZINC001041570843 1231601124 /nfs/dbraw/zinc/60/11/24/1231601124.db2.gz GWZKJZWNKLHUMX-CABCVRRESA-N 1 2 336.399 2.138 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@]2(CC[N@H+](Cc3nnc(C)[nH]3)C2)C1 ZINC001041638125 1231633276 /nfs/dbraw/zinc/63/32/76/1231633276.db2.gz IIWWLQPMPBJTQQ-MSOLQXFVSA-N 1 2 331.464 2.140 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@]2(CC[N@@H+](Cc3nnc(C)[nH]3)C2)C1 ZINC001041638125 1231633277 /nfs/dbraw/zinc/63/32/77/1231633277.db2.gz IIWWLQPMPBJTQQ-MSOLQXFVSA-N 1 2 331.464 2.140 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ncnn4CC)C3)C2)C1 ZINC001041654389 1231639233 /nfs/dbraw/zinc/63/92/33/1231639233.db2.gz ZVVZMVFHSDRQAC-LJQANCHMSA-N 1 2 343.475 2.079 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ncnn4CC)C3)C2)C1 ZINC001041654389 1231639235 /nfs/dbraw/zinc/63/92/35/1231639235.db2.gz ZVVZMVFHSDRQAC-LJQANCHMSA-N 1 2 343.475 2.079 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc4n[nH]nc43)C[C@@H]21 ZINC001042071181 1231868943 /nfs/dbraw/zinc/86/89/43/1231868943.db2.gz AWKUGAKQWDEYNC-DOMZBBRYSA-N 1 2 345.834 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc4n[nH]nc43)C[C@@H]21 ZINC001042071181 1231868945 /nfs/dbraw/zinc/86/89/45/1231868945.db2.gz AWKUGAKQWDEYNC-DOMZBBRYSA-N 1 2 345.834 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc4nn[nH]c43)C[C@@H]21 ZINC001042071181 1231868947 /nfs/dbraw/zinc/86/89/47/1231868947.db2.gz AWKUGAKQWDEYNC-DOMZBBRYSA-N 1 2 345.834 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc4nn[nH]c43)C[C@@H]21 ZINC001042071181 1231868949 /nfs/dbraw/zinc/86/89/49/1231868949.db2.gz AWKUGAKQWDEYNC-DOMZBBRYSA-N 1 2 345.834 2.247 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3cn(CC)nn3)[C@H]2C1 ZINC001042182348 1231941492 /nfs/dbraw/zinc/94/14/92/1231941492.db2.gz DSLJVODBTQDDIE-RDJZCZTQSA-N 1 2 345.491 2.323 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3cn(CC)nn3)[C@H]2C1 ZINC001042182348 1231941494 /nfs/dbraw/zinc/94/14/94/1231941494.db2.gz DSLJVODBTQDDIE-RDJZCZTQSA-N 1 2 345.491 2.323 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3nccc(C)n3)[C@@H]2C1 ZINC001042187831 1231945298 /nfs/dbraw/zinc/94/52/98/1231945298.db2.gz OMNXAAAQSSMRAU-JKSUJKDBSA-N 1 2 328.460 2.420 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3nccc(C)n3)[C@@H]2C1 ZINC001042187831 1231945299 /nfs/dbraw/zinc/94/52/99/1231945299.db2.gz OMNXAAAQSSMRAU-JKSUJKDBSA-N 1 2 328.460 2.420 20 30 EEEDLO CO[C@@H](C[NH+]1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1)c1ccccc1 ZINC001042590175 1232114292 /nfs/dbraw/zinc/11/42/92/1232114292.db2.gz WSPAAKHLBPQYAT-SFHVURJKSA-N 1 2 338.411 2.030 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001043276371 1232350427 /nfs/dbraw/zinc/35/04/27/1232350427.db2.gz HWUAYJGQXAMLAY-RDTXWAMCSA-N 1 2 334.423 2.268 20 30 EEEDLO C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1Nc1ncccc1C#N ZINC001043396181 1232418462 /nfs/dbraw/zinc/41/84/62/1232418462.db2.gz REUDWZNIBWXSRV-UKRRQHHQSA-N 1 2 346.394 2.174 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](Cc3ccc(COC)cc3)C2)c1 ZINC001043821502 1232591852 /nfs/dbraw/zinc/59/18/52/1232591852.db2.gz LBXYMWNISVSLHA-UHFFFAOYSA-N 1 2 349.434 2.166 20 30 EEEDLO C#CCOc1ccc(C(=O)N(C)C2C[NH+](C[C@@H]3CCCCO3)C2)cc1 ZINC001044020362 1232673761 /nfs/dbraw/zinc/67/37/61/1232673761.db2.gz RQINHWHKRYRBHH-IBGZPJMESA-N 1 2 342.439 2.024 20 30 EEEDLO 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341.411 2.348 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001051167528 1245076036 /nfs/dbraw/zinc/07/60/36/1245076036.db2.gz VUOQYVUPJDHTRQ-PBHICJAKSA-N 1 2 330.428 2.017 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001051167528 1245076040 /nfs/dbraw/zinc/07/60/40/1245076040.db2.gz VUOQYVUPJDHTRQ-PBHICJAKSA-N 1 2 330.428 2.017 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001052865825 1245411818 /nfs/dbraw/zinc/41/18/18/1245411818.db2.gz CGJNEIYJXVHNFH-DLBZAZTESA-N 1 2 346.475 2.230 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1Cc2c1cccc2Cl ZINC001051264912 1245455408 /nfs/dbraw/zinc/45/54/08/1245455408.db2.gz YXQOQIDJGIKPFW-XJKSGUPXSA-N 1 2 334.847 2.373 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1Cc2c1cccc2Cl ZINC001051264912 1245455412 /nfs/dbraw/zinc/45/54/12/1245455412.db2.gz YXQOQIDJGIKPFW-XJKSGUPXSA-N 1 2 334.847 2.373 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)C)o3)C[C@@]2(C)C1 ZINC001101162712 1245469240 /nfs/dbraw/zinc/46/92/40/1245469240.db2.gz DPSHMJHETIZYBI-KDOFPFPSSA-N 1 2 332.448 2.440 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)C)o3)C[C@@]2(C)C1 ZINC001101162712 1245469242 /nfs/dbraw/zinc/46/92/42/1245469242.db2.gz DPSHMJHETIZYBI-KDOFPFPSSA-N 1 2 332.448 2.440 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3ncc[nH]3)cccc2C1 ZINC001051288489 1245481301 /nfs/dbraw/zinc/48/13/01/1245481301.db2.gz ORENGSCRFHQRAB-UHFFFAOYSA-N 1 2 330.819 2.450 20 30 EEEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3ncc[nH]3)cccc2C1 ZINC001051288489 1245481303 /nfs/dbraw/zinc/48/13/03/1245481303.db2.gz ORENGSCRFHQRAB-UHFFFAOYSA-N 1 2 330.819 2.450 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@](C)(F)CCCC)c1nccn12 ZINC001101632202 1246062074 /nfs/dbraw/zinc/06/20/74/1246062074.db2.gz BYQQBLLWRKFVRO-QAPCUYQASA-N 1 2 346.450 2.397 20 30 EEEDLO CC(C)c1nsc(C[N@H+]2C[C@@H](CNC(=O)C#CC3CC3)[C@H](C)C2)n1 ZINC001101952751 1246266852 /nfs/dbraw/zinc/26/68/52/1246266852.db2.gz CDHYTKZXOVZELV-UKRRQHHQSA-N 1 2 346.500 2.259 20 30 EEEDLO CC(C)c1nsc(C[N@@H+]2C[C@@H](CNC(=O)C#CC3CC3)[C@H](C)C2)n1 ZINC001101952751 1246266861 /nfs/dbraw/zinc/26/68/61/1246266861.db2.gz CDHYTKZXOVZELV-UKRRQHHQSA-N 1 2 346.500 2.259 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)Cc1cccs1)CCO2 ZINC001053451995 1246345808 /nfs/dbraw/zinc/34/58/08/1246345808.db2.gz MUAGGJPZKGWXPE-OAHLLOKOSA-N 1 2 334.485 2.416 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc(C(C)C)n3)C2)CC1 ZINC001052047745 1246418494 /nfs/dbraw/zinc/41/84/94/1246418494.db2.gz YBMJRJGMIMXTHI-QGZVFWFLSA-N 1 2 342.487 2.223 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](N2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC001052063543 1246434184 /nfs/dbraw/zinc/43/41/84/1246434184.db2.gz VQUFNSMRCLQPNN-AWEZNQCLSA-N 1 2 347.425 2.370 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3sccc3C(C)C)C2)CC1 ZINC001052119079 1246503340 /nfs/dbraw/zinc/50/33/40/1246503340.db2.gz JKSIBVOOGKFTCM-MRXNPFEDSA-N 1 2 345.512 2.337 20 30 EEEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3sccc3C(C)C)C2)CC1 ZINC001052119079 1246503343 /nfs/dbraw/zinc/50/33/43/1246503343.db2.gz JKSIBVOOGKFTCM-MRXNPFEDSA-N 1 2 345.512 2.337 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(C)onc1C1CC1)O2 ZINC001053629325 1246558736 /nfs/dbraw/zinc/55/87/36/1246558736.db2.gz MCPYCDOENJHCFT-CQSZACIVSA-N 1 2 331.416 2.010 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nccc3ccccc31)O2 ZINC001053654562 1246597327 /nfs/dbraw/zinc/59/73/27/1246597327.db2.gz PWQKFCGAKSIWCI-MRXNPFEDSA-N 1 2 337.423 2.384 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCc3ccccc3C1)O2 ZINC001053669776 1246618046 /nfs/dbraw/zinc/61/80/46/1246618046.db2.gz HHCDMEBAZOLCQD-OALUTQOASA-N 1 2 340.467 2.327 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)c(OC)c(C)c1)CO2 ZINC001053810346 1246821477 /nfs/dbraw/zinc/82/14/77/1246821477.db2.gz QPLNUOUYQVZONE-KRWDZBQOSA-N 1 2 344.455 2.461 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(OCCC)c1)CO2 ZINC001053821177 1246843072 /nfs/dbraw/zinc/84/30/72/1246843072.db2.gz XBLPXTRFVPVSCR-QGZVFWFLSA-N 1 2 342.439 2.072 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3c(o1)CCCC3)CO2 ZINC001053827418 1246856539 /nfs/dbraw/zinc/85/65/39/1246856539.db2.gz YVBLSUJNAJXNAR-HNNXBMFYSA-N 1 2 330.428 2.308 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1c(F)cccc1F)CO2 ZINC001053908323 1246998308 /nfs/dbraw/zinc/99/83/08/1246998308.db2.gz PXLNVRDDVMFWRP-ZDUSSCGKSA-N 1 2 336.382 2.043 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3[nH]ccc3c1)CO2 ZINC001053912260 1247004873 /nfs/dbraw/zinc/00/48/73/1247004873.db2.gz XGWQZSJCNGVPQP-MRXNPFEDSA-N 1 2 325.412 2.317 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(Cl)ccc1C)CO2 ZINC001053960189 1247071997 /nfs/dbraw/zinc/07/19/97/1247071997.db2.gz QZOCAGKXEDAIDG-HNNXBMFYSA-N 1 2 332.831 2.245 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)CO2 ZINC001053997750 1247129108 /nfs/dbraw/zinc/12/91/08/1247129108.db2.gz WLHFXCCIDIAXTI-MRXNPFEDSA-N 1 2 334.847 2.418 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H](Nc3nc(N(C)C)nc(C)[nH+]3)C2)C1 ZINC001057755481 1247150659 /nfs/dbraw/zinc/15/06/59/1247150659.db2.gz PTUKWIDWWMSHPV-CQSZACIVSA-N 1 2 344.463 2.005 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc2cc[nH]c2n1 ZINC001054044602 1247214006 /nfs/dbraw/zinc/21/40/06/1247214006.db2.gz ZGPKOCVVAXSVGG-SFHVURJKSA-N 1 2 344.418 2.353 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc2cc[nH]c2n1 ZINC001054044602 1247214011 /nfs/dbraw/zinc/21/40/11/1247214011.db2.gz ZGPKOCVVAXSVGG-SFHVURJKSA-N 1 2 344.418 2.353 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccn2nccc12 ZINC001054046225 1247223706 /nfs/dbraw/zinc/22/37/06/1247223706.db2.gz GTNFPUUINOJALL-SFHVURJKSA-N 1 2 344.418 2.124 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccn2nccc12 ZINC001054046225 1247223712 /nfs/dbraw/zinc/22/37/12/1247223712.db2.gz GTNFPUUINOJALL-SFHVURJKSA-N 1 2 344.418 2.124 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001054053399 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1337492024 /nfs/dbraw/zinc/49/20/24/1337492024.db2.gz YQTYCWJUIWCNKU-GOEBONIOSA-N 1 2 336.505 2.080 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001346780504 1337492028 /nfs/dbraw/zinc/49/20/28/1337492028.db2.gz YQTYCWJUIWCNKU-GOEBONIOSA-N 1 2 336.505 2.080 20 30 EEEDLO CCN(CCNC(=O)CCCn1cc[nH+]c1)c1cccc(F)c1C#N ZINC001100557260 1338505204 /nfs/dbraw/zinc/50/52/04/1338505204.db2.gz HKIZBXJNTWJUKL-UHFFFAOYSA-N 1 2 343.406 2.317 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CCOCC2CC2)C1 ZINC001567763116 1342834992 /nfs/dbraw/zinc/83/49/92/1342834992.db2.gz FVLJGOJUEFRUBH-LJQANCHMSA-N 1 2 341.455 2.456 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)CCOCC2CC2)C1 ZINC001567763116 1342834997 /nfs/dbraw/zinc/83/49/97/1342834997.db2.gz FVLJGOJUEFRUBH-LJQANCHMSA-N 1 2 341.455 2.456 20 30 EEEDLO N#Cc1cccc(-c2nn[nH]n2)c1NCc1cc[nH+]c(N2CCCC2)c1 ZINC001606379604 1351298489 /nfs/dbraw/zinc/29/84/89/1351298489.db2.gz GBALZJNPUAVRTF-UHFFFAOYSA-N 1 2 346.398 2.346 20 30 EEEDLO Cc1cc(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cc(C)[nH+]1 ZINC001626808197 1352473670 /nfs/dbraw/zinc/47/36/70/1352473670.db2.gz FVVYUKQBCOGIBC-UHFFFAOYSA-N 1 2 346.394 2.268 20 30 EEEDLO CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(CC#N)CC1 ZINC001650315011 1353845947 /nfs/dbraw/zinc/84/59/47/1353845947.db2.gz SIBZCLLJLIJHPJ-INIZCTEOSA-N 1 2 346.479 2.210 20 30 EEEDLO CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(CC#N)CC1 ZINC001650315011 1353845950 /nfs/dbraw/zinc/84/59/50/1353845950.db2.gz SIBZCLLJLIJHPJ-INIZCTEOSA-N 1 2 346.479 2.210 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2CCC)C1 ZINC001665023158 1355265715 /nfs/dbraw/zinc/26/57/15/1355265715.db2.gz MIQVFDAWOLFTJD-HUUCEWRRSA-N 1 2 347.459 2.117 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ccoc2CCC)C1 ZINC001665023158 1355265720 /nfs/dbraw/zinc/26/57/20/1355265720.db2.gz MIQVFDAWOLFTJD-HUUCEWRRSA-N 1 2 347.459 2.117 20 30 EEEDLO C=C(Cl)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)CC(C)(C)CC)n1 ZINC001388766821 1387703869 /nfs/dbraw/zinc/70/38/69/1387703869.db2.gz YJWCDHQAEQXPDB-UHFFFAOYSA-N 1 2 340.855 2.467 20 30 EEEDLO Cc1cc(C)c(C(=O)NC[C@H](NC(=O)[C@@H](C)C#N)C(C)C)c(C)[nH+]1 ZINC001388930259 1387815992 /nfs/dbraw/zinc/81/59/92/1387815992.db2.gz GWAHTFMZSBYZDW-WFASDCNBSA-N 1 2 330.432 2.037 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3cscc3C)nn2)C1 ZINC001094282441 1368120796 /nfs/dbraw/zinc/12/07/96/1368120796.db2.gz RQTKKROMUVOECP-UHFFFAOYSA-N 1 2 331.445 2.011 20 30 EEEDLO CO[C@H](C[NH+]1CCN(C(=O)c2ccc(C#N)[nH]2)CC1)c1ccccc1 ZINC001199680178 1368694257 /nfs/dbraw/zinc/69/42/57/1368694257.db2.gz OGBQRPGDEIADOT-GOSISDBHSA-N 1 2 338.411 2.032 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC(CC)(NC(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001069607708 1370198780 /nfs/dbraw/zinc/19/87/80/1370198780.db2.gz CRAZMBUJZWCBCX-UHFFFAOYSA-N 1 2 344.459 2.196 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3ccccc3C#N)C2)[nH]n1 ZINC001071366301 1370492534 /nfs/dbraw/zinc/49/25/34/1370492534.db2.gz MAGKOYBUVRYFRJ-YOEHRIQHSA-N 1 2 337.427 2.373 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3ccccc3C#N)C2)[nH]n1 ZINC001071366301 1370492539 /nfs/dbraw/zinc/49/25/39/1370492539.db2.gz MAGKOYBUVRYFRJ-YOEHRIQHSA-N 1 2 337.427 2.373 20 30 EEEDLO CC(C)Cc1nnc([C@H](C)[N@@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)o1 ZINC001072552378 1370739962 /nfs/dbraw/zinc/73/99/62/1370739962.db2.gz OZICHSLBBUNVOT-KBPBESRZSA-N 1 2 345.447 2.023 20 30 EEEDLO CC(C)Cc1nnc([C@H](C)[N@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)o1 ZINC001072552378 1370739967 /nfs/dbraw/zinc/73/99/67/1370739967.db2.gz OZICHSLBBUNVOT-KBPBESRZSA-N 1 2 345.447 2.023 20 30 EEEDLO CCc1nc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001098296031 1370979362 /nfs/dbraw/zinc/97/93/62/1370979362.db2.gz CEHCXEITMVXPOF-NXHRZFHOSA-N 1 2 349.438 2.379 20 30 EEEDLO CCc1nc[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001098296031 1370979368 /nfs/dbraw/zinc/97/93/68/1370979368.db2.gz CEHCXEITMVXPOF-NXHRZFHOSA-N 1 2 349.438 2.379 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001104163638 1371145235 /nfs/dbraw/zinc/14/52/35/1371145235.db2.gz KYDBJVURPDXFBJ-CHWSQXEVSA-N 1 2 330.436 2.130 20 30 EEEDLO C#CCO[C@H](C)C(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001111849021 1371271226 /nfs/dbraw/zinc/27/12/26/1371271226.db2.gz BFHLAACZRUWXCG-CQSZACIVSA-N 1 2 342.443 2.152 20 30 EEEDLO C[C@H](CCCNc1ccc(C#N)nc1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001115099476 1371519160 /nfs/dbraw/zinc/51/91/60/1371519160.db2.gz AFJJUBLRZNIMJB-UONOGXRCSA-N 1 2 340.431 2.252 20 30 EEEDLO C[C@H](CCCNc1ccc(C#N)nc1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001115099476 1371519164 /nfs/dbraw/zinc/51/91/64/1371519164.db2.gz AFJJUBLRZNIMJB-UONOGXRCSA-N 1 2 340.431 2.252 20 30 EEEDLO C[N@H+](CCNC(=O)C1(c2ccccn2)CC1)Cc1ccccc1C#N ZINC001371973048 1375688520 /nfs/dbraw/zinc/68/85/20/1375688520.db2.gz TWLDUGLIHSYAGU-UHFFFAOYSA-N 1 2 334.423 2.233 20 30 EEEDLO C[N@@H+](CCNC(=O)C1(c2ccccn2)CC1)Cc1ccccc1C#N ZINC001371973048 1375688522 /nfs/dbraw/zinc/68/85/22/1375688522.db2.gz TWLDUGLIHSYAGU-UHFFFAOYSA-N 1 2 334.423 2.233 20 30 EEEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1n[nH]cc1C ZINC001372709681 1376158872 /nfs/dbraw/zinc/15/88/72/1376158872.db2.gz YBDBEFCICUUGRK-UHFFFAOYSA-N 1 2 329.242 2.069 20 30 EEEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1n[nH]cc1C ZINC001372709681 1376158875 /nfs/dbraw/zinc/15/88/75/1376158875.db2.gz YBDBEFCICUUGRK-UHFFFAOYSA-N 1 2 329.242 2.069 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCNC(=O)C2CCCCC2)C1 ZINC001378073761 1379685696 /nfs/dbraw/zinc/68/56/96/1379685696.db2.gz HFOLMHUTTJXFRF-HNNXBMFYSA-N 1 2 341.883 2.016 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCNC(=O)C2CCCCC2)C1 ZINC001378073761 1379685702 /nfs/dbraw/zinc/68/57/02/1379685702.db2.gz HFOLMHUTTJXFRF-HNNXBMFYSA-N 1 2 341.883 2.016 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccccc1C(=O)N(C)C ZINC001378192140 1379773387 /nfs/dbraw/zinc/77/33/87/1379773387.db2.gz SSHTZKZITBZZKY-CYBMUJFWSA-N 1 2 337.851 2.191 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccccc1C(=O)N(C)C ZINC001378192140 1379773393 /nfs/dbraw/zinc/77/33/93/1379773393.db2.gz SSHTZKZITBZZKY-CYBMUJFWSA-N 1 2 337.851 2.191 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)COCc2ccncc2)[C@H]1C ZINC001379652258 1380799963 /nfs/dbraw/zinc/79/99/63/1380799963.db2.gz KBSKBBPWFMLZOA-ZBFHGGJFSA-N 1 2 337.851 2.320 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)COCc2ccncc2)[C@H]1C ZINC001379652258 1380799969 /nfs/dbraw/zinc/79/99/69/1380799969.db2.gz KBSKBBPWFMLZOA-ZBFHGGJFSA-N 1 2 337.851 2.320 20 30 EEEDLO Cc1nnc([C@H](C)[N@H+](C)CCCN(C)C(=O)c2cc(C#N)c[nH]2)s1 ZINC001380947001 1381457475 /nfs/dbraw/zinc/45/74/75/1381457475.db2.gz ANMWVLDHRYYXST-NSHDSACASA-N 1 2 346.460 2.201 20 30 EEEDLO Cc1nnc([C@H](C)[N@@H+](C)CCCN(C)C(=O)c2cc(C#N)c[nH]2)s1 ZINC001380947001 1381457477 /nfs/dbraw/zinc/45/74/77/1381457477.db2.gz ANMWVLDHRYYXST-NSHDSACASA-N 1 2 346.460 2.201 20 30 EEEDLO C#CCCCC(=O)NCC[NH+]1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC001752365250 1406286942 /nfs/dbraw/zinc/28/69/42/1406286942.db2.gz VVPPRESCAPMKNX-KRWDZBQOSA-N 1 2 345.462 2.424 20 30 EEEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)C23CCC(CC2)C3)CC1 ZINC001391328942 1389265009 /nfs/dbraw/zinc/26/50/09/1389265009.db2.gz KVERNRXTKHGFMY-UHFFFAOYSA-N 1 2 339.911 2.395 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CCc2nccs2)s1 ZINC001392872570 1390228691 /nfs/dbraw/zinc/22/86/91/1390228691.db2.gz OJFVJFGZEYPEDU-GFCCVEGCSA-N 1 2 346.481 2.400 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CCc2nccs2)s1 ZINC001392872570 1390228693 /nfs/dbraw/zinc/22/86/93/1390228693.db2.gz OJFVJFGZEYPEDU-GFCCVEGCSA-N 1 2 346.481 2.400 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)Cc2cncs2)C1 ZINC001393104801 1390322265 /nfs/dbraw/zinc/32/22/65/1390322265.db2.gz CERWBXUFHIWBJW-CYBMUJFWSA-N 1 2 344.278 2.175 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2cncs2)C1 ZINC001393104801 1390322270 /nfs/dbraw/zinc/32/22/70/1390322270.db2.gz CERWBXUFHIWBJW-CYBMUJFWSA-N 1 2 344.278 2.175 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[N@@H+](CC(=O)NCC(C)C)CC1(C)C ZINC001755412950 1407429532 /nfs/dbraw/zinc/42/95/32/1407429532.db2.gz ZFDOKJYRMWLIMQ-HNNXBMFYSA-N 1 2 337.508 2.188 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[N@H+](CC(=O)NCC(C)C)CC1(C)C ZINC001755412950 1407429535 /nfs/dbraw/zinc/42/95/35/1407429535.db2.gz ZFDOKJYRMWLIMQ-HNNXBMFYSA-N 1 2 337.508 2.188 20 30 EEEDLO C[N@H+](CCNC(=O)C#CC1CC1)Cc1coc(-c2cccs2)n1 ZINC001753048751 1406637130 /nfs/dbraw/zinc/63/71/30/1406637130.db2.gz DGYZDUBGAFJMIR-UHFFFAOYSA-N 1 2 329.425 2.365 20 30 EEEDLO C[N@@H+](CCNC(=O)C#CC1CC1)Cc1coc(-c2cccs2)n1 ZINC001753048751 1406637140 /nfs/dbraw/zinc/63/71/40/1406637140.db2.gz DGYZDUBGAFJMIR-UHFFFAOYSA-N 1 2 329.425 2.365 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CCOC1 ZINC001398765036 1394179019 /nfs/dbraw/zinc/17/90/19/1394179019.db2.gz YLNCJMTVCFCDCX-KGLIPLIRSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CCOC1 ZINC001398765036 1394179022 /nfs/dbraw/zinc/17/90/22/1394179022.db2.gz YLNCJMTVCFCDCX-KGLIPLIRSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC001399735458 1395459034 /nfs/dbraw/zinc/45/90/34/1395459034.db2.gz PJIAGLBGKXONBT-UHFFFAOYSA-N 1 2 333.823 2.276 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC001399735458 1395459040 /nfs/dbraw/zinc/45/90/40/1395459040.db2.gz PJIAGLBGKXONBT-UHFFFAOYSA-N 1 2 333.823 2.276 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)C[C@H]1CCCOC1 ZINC001401433415 1397294400 /nfs/dbraw/zinc/29/44/00/1397294400.db2.gz CHYSXUBILWTXHP-MRXNPFEDSA-N 1 2 347.434 2.404 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)C[C@H]1CCCOC1 ZINC001401433415 1397294407 /nfs/dbraw/zinc/29/44/07/1397294407.db2.gz CHYSXUBILWTXHP-MRXNPFEDSA-N 1 2 347.434 2.404 20 30 EEEDLO Cc1ccc(C)c(NC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C#CC2CC2)c1 ZINC001754312086 1406887787 /nfs/dbraw/zinc/88/77/87/1406887787.db2.gz WOCORBDADPGBEY-INIZCTEOSA-N 1 2 341.455 2.092 20 30 EEEDLO Cc1ccc(C)c(NC(=O)C[N@H+](C)C[C@H](C)NC(=O)C#CC2CC2)c1 ZINC001754312086 1406887790 /nfs/dbraw/zinc/88/77/90/1406887790.db2.gz WOCORBDADPGBEY-INIZCTEOSA-N 1 2 341.455 2.092 20 30 EEEDLO CC(C)OCCC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001402154781 1397801114 /nfs/dbraw/zinc/80/11/14/1397801114.db2.gz IAZMNUWQPNWRPC-INIZCTEOSA-N 1 2 333.407 2.203 20 30 EEEDLO CC(C)OCCC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001402154781 1397801119 /nfs/dbraw/zinc/80/11/19/1397801119.db2.gz IAZMNUWQPNWRPC-INIZCTEOSA-N 1 2 333.407 2.203 20 30 EEEDLO C=CCCC(=O)N1CC[C@]2(CC[N@@H+](Cc3cn(C(C)C)nn3)C2)C1 ZINC001754561839 1406924412 /nfs/dbraw/zinc/92/44/12/1406924412.db2.gz DXWFGKAPKGSGDJ-SFHVURJKSA-N 1 2 331.464 2.250 20 30 EEEDLO C=CCCC(=O)N1CC[C@]2(CC[N@H+](Cc3cn(C(C)C)nn3)C2)C1 ZINC001754561839 1406924415 /nfs/dbraw/zinc/92/44/15/1406924415.db2.gz DXWFGKAPKGSGDJ-SFHVURJKSA-N 1 2 331.464 2.250 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)Cc1cscn1 ZINC001402656896 1398128334 /nfs/dbraw/zinc/12/83/34/1398128334.db2.gz OSLXUPJEGKCJAL-UHFFFAOYSA-N 1 2 346.294 2.375 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)Cc1cscn1 ZINC001402656896 1398128341 /nfs/dbraw/zinc/12/83/41/1398128341.db2.gz OSLXUPJEGKCJAL-UHFFFAOYSA-N 1 2 346.294 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(N2CCCC2)nc1 ZINC001403173929 1398452626 /nfs/dbraw/zinc/45/26/26/1398452626.db2.gz HWXMISLLNNCBKX-AWEZNQCLSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(N2CCCC2)nc1 ZINC001403173929 1398452630 /nfs/dbraw/zinc/45/26/30/1398452630.db2.gz HWXMISLLNNCBKX-AWEZNQCLSA-N 1 2 336.867 2.484 20 30 EEEDLO C[C@@H](C#N)C(=O)N(C)CC(C)(C)C[NH2+]Cc1noc(C(C)(C)C)n1 ZINC001422430736 1399905398 /nfs/dbraw/zinc/90/53/98/1399905398.db2.gz JNUHHEARZGJEAD-LBPRGKRZSA-N 1 2 335.452 2.101 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2nncn2C)CC1(C)C ZINC001755137623 1407146025 /nfs/dbraw/zinc/14/60/25/1407146025.db2.gz AQTLFIJEUPJHCK-HUUCEWRRSA-N 1 2 333.480 2.449 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2nncn2C)CC1(C)C ZINC001755137623 1407146033 /nfs/dbraw/zinc/14/60/33/1407146033.db2.gz AQTLFIJEUPJHCK-HUUCEWRRSA-N 1 2 333.480 2.449 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1cncs1 ZINC001424289053 1401025698 /nfs/dbraw/zinc/02/56/98/1401025698.db2.gz IOZKAYQAMCZOOS-UHFFFAOYSA-N 1 2 332.267 2.446 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1cncs1 ZINC001424289053 1401025691 /nfs/dbraw/zinc/02/56/91/1401025691.db2.gz IOZKAYQAMCZOOS-UHFFFAOYSA-N 1 2 332.267 2.446 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)COCC2CC2)C[C@H]1C ZINC001424546416 1401165141 /nfs/dbraw/zinc/16/51/41/1401165141.db2.gz SQKFQJNTGNATIK-OCCSQVGLSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)COCC2CC2)C[C@H]1C ZINC001424546416 1401165145 /nfs/dbraw/zinc/16/51/45/1401165145.db2.gz SQKFQJNTGNATIK-OCCSQVGLSA-N 1 2 345.281 2.291 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+](C)C[C@H]2CCCN2C(=O)CSCC#N)o1 ZINC001755189333 1407194896 /nfs/dbraw/zinc/19/48/96/1407194896.db2.gz IZNSRMVWRNVQGH-ZIAGYGMSSA-N 1 2 336.461 2.224 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+](C)C[C@H]2CCCN2C(=O)CSCC#N)o1 ZINC001755189333 1407194901 /nfs/dbraw/zinc/19/49/01/1407194901.db2.gz IZNSRMVWRNVQGH-ZIAGYGMSSA-N 1 2 336.461 2.224 20 30 EEEDLO CCO[C@@H](C)C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001731352101 1405842663 /nfs/dbraw/zinc/84/26/63/1405842663.db2.gz FYDYGDNOASXEQQ-YJBOKZPZSA-N 1 2 332.419 2.183 20 30 EEEDLO CCO[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001731352101 1405842676 /nfs/dbraw/zinc/84/26/76/1405842676.db2.gz FYDYGDNOASXEQQ-YJBOKZPZSA-N 1 2 332.419 2.183 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccccc2C)C1 ZINC001731373943 1405848028 /nfs/dbraw/zinc/84/80/28/1405848028.db2.gz GYUQTVKTAMTEQI-KRWDZBQOSA-N 1 2 341.455 2.318 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2C)C1 ZINC001731373943 1405848034 /nfs/dbraw/zinc/84/80/34/1405848034.db2.gz GYUQTVKTAMTEQI-KRWDZBQOSA-N 1 2 341.455 2.318 20 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C=C(C)CCC(=O)N(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001756414417 1408429512 /nfs/dbraw/zinc/42/95/12/1408429512.db2.gz NJFVQYPXPUOBCT-INMHGKMJSA-N 1 2 344.459 2.223 20 30 EEEDLO C#CCCCCC(=O)N[C@@H](C)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001756466642 1408632311 /nfs/dbraw/zinc/63/23/11/1408632311.db2.gz CAUDVXBHLWGTME-INIZCTEOSA-N 1 2 346.475 2.083 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001756597576 1409121428 /nfs/dbraw/zinc/12/14/28/1409121428.db2.gz GIHAJHMXVPRELC-LSDHHAIUSA-N 1 2 346.475 2.061 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001757270299 1409604758 /nfs/dbraw/zinc/60/47/58/1409604758.db2.gz FHGKONGTAPCDSJ-HBUWYVDXSA-N 1 2 332.448 2.098 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]1CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001757294678 1409636612 /nfs/dbraw/zinc/63/66/12/1409636612.db2.gz NLSQROVVBKQPGI-MRXNPFEDSA-N 1 2 346.475 2.325 20 30 EEEDLO CC(C)CCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001100017486 1410568718 /nfs/dbraw/zinc/56/87/18/1410568718.db2.gz KHIDMBSXUCNTRT-RTBURBONSA-N 1 2 343.471 2.436 20 30 EEEDLO CC(C)CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001100017486 1410568726 /nfs/dbraw/zinc/56/87/26/1410568726.db2.gz KHIDMBSXUCNTRT-RTBURBONSA-N 1 2 343.471 2.436 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)o1)C2 ZINC001111848746 1410851419 /nfs/dbraw/zinc/85/14/19/1410851419.db2.gz RQDUOHKDLUAHGV-XUWXXGDYSA-N 1 2 332.448 2.451 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)o1)C2 ZINC001111848746 1410851428 /nfs/dbraw/zinc/85/14/28/1410851428.db2.gz RQDUOHKDLUAHGV-XUWXXGDYSA-N 1 2 332.448 2.451 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(C)no1)C2 ZINC001111848374 1410853334 /nfs/dbraw/zinc/85/33/34/1410853334.db2.gz DKNIEXFWTRJSAB-XUWXXGDYSA-N 1 2 332.448 2.451 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(C)no1)C2 ZINC001111848374 1410853346 /nfs/dbraw/zinc/85/33/46/1410853346.db2.gz DKNIEXFWTRJSAB-XUWXXGDYSA-N 1 2 332.448 2.451 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001112400291 1410900363 /nfs/dbraw/zinc/90/03/63/1410900363.db2.gz KZAIUCSRYQKKAW-ZBFHGGJFSA-N 1 2 346.475 2.442 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H](C)N(C)C(=O)CCCn2cc[nH+]c2)n1 ZINC001104602411 762031770 /nfs/dbraw/zinc/03/17/70/762031770.db2.gz FULGGUHHWRFODY-HNNXBMFYSA-N 1 2 340.431 2.197 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@@H](C)CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001104233592 757368367 /nfs/dbraw/zinc/36/83/67/757368367.db2.gz BOZALMJNHZGDIZ-OLZOCXBDSA-N 1 2 340.431 2.028 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@@H](C)CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001104233592 757368378 /nfs/dbraw/zinc/36/83/78/757368378.db2.gz BOZALMJNHZGDIZ-OLZOCXBDSA-N 1 2 340.431 2.028 20 30 EEEDLO Cc1nc(NC[C@H](C)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)ccc1C#N ZINC001104234125 757370679 /nfs/dbraw/zinc/37/06/79/757370679.db2.gz OYEZCSOJRBMUEB-QWHCGFSZSA-N 1 2 340.431 2.028 20 30 EEEDLO Cc1nc(NC[C@H](C)CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)ccc1C#N ZINC001104234125 757370690 /nfs/dbraw/zinc/37/06/90/757370690.db2.gz OYEZCSOJRBMUEB-QWHCGFSZSA-N 1 2 340.431 2.028 20 30 EEEDLO C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)CNc1ccc(C#N)cn1 ZINC001104263398 757770667 /nfs/dbraw/zinc/77/06/67/757770667.db2.gz IUEMQXITXJACPU-LBPRGKRZSA-N 1 2 334.383 2.308 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@@H](CNc3cc[nH+]c(C)n3)C2)CCOCC1 ZINC001098541995 758077994 /nfs/dbraw/zinc/07/79/94/758077994.db2.gz AMHNJBMCVXLVIR-INIZCTEOSA-N 1 2 344.459 2.418 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CCO1 ZINC001104331913 759506957 /nfs/dbraw/zinc/50/69/57/759506957.db2.gz PJNWOSNMJVLCNN-INIZCTEOSA-N 1 2 332.448 2.080 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001111490083 759988737 /nfs/dbraw/zinc/98/87/37/759988737.db2.gz SYIDHKDAJFKBQA-DXEWXGHRSA-N 1 2 333.407 2.033 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001111490083 759988742 /nfs/dbraw/zinc/98/87/42/759988742.db2.gz SYIDHKDAJFKBQA-DXEWXGHRSA-N 1 2 333.407 2.033 20 30 EEEDLO N#Cc1cccnc1NC1(CNC(=O)CCn2cc[nH+]c2)CCCC1 ZINC001104422060 760660557 /nfs/dbraw/zinc/66/05/57/760660557.db2.gz XVSNSYNDEPFNKC-UHFFFAOYSA-N 1 2 338.415 2.081 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(Cl)cc3Cl)[C@H]2C1 ZINC001083256025 760926933 /nfs/dbraw/zinc/92/69/33/760926933.db2.gz AGRHQNSYEWFQEL-LSDHHAIUSA-N 1 2 339.222 2.152 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(Cl)cc3Cl)[C@H]2C1 ZINC001083256025 760926937 /nfs/dbraw/zinc/92/69/37/760926937.db2.gz AGRHQNSYEWFQEL-LSDHHAIUSA-N 1 2 339.222 2.152 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@@H]2CCCN(CC#N)CC2)CC1 ZINC001075461802 760940991 /nfs/dbraw/zinc/94/09/91/760940991.db2.gz RWOYSDSFFRNXRX-MRXNPFEDSA-N 1 2 343.475 2.125 20 30 EEEDLO C[S@@](=O)c1c[nH]c2nc[nH+]c(NCCc3ccc(C#N)cc3)c12 ZINC001167676778 761171540 /nfs/dbraw/zinc/17/15/40/761171540.db2.gz IKJMZXBLFQMEIS-HSZRJFAPSA-N 1 2 325.397 2.173 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001104763718 765246525 /nfs/dbraw/zinc/24/65/25/765246525.db2.gz JYCIREQVFOXOLS-LBPRGKRZSA-N 1 2 330.436 2.224 20 30 EEEDLO C[C@H](CNc1ccc(C#N)nc1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001104833118 765386097 /nfs/dbraw/zinc/38/60/97/765386097.db2.gz ALGUEUYSPIWRFA-UONOGXRCSA-N 1 2 326.404 2.060 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cc(OC)no2)C1 ZINC001112068270 765698863 /nfs/dbraw/zinc/69/88/63/765698863.db2.gz QGFLPMFRNBURDY-VXGBXAGGSA-N 1 2 347.337 2.128 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnc(OCC)cn2)[C@H]1C ZINC000994551430 768834122 /nfs/dbraw/zinc/83/41/22/768834122.db2.gz UXGIUMSSOUHRTE-CHWSQXEVSA-N 1 2 338.839 2.211 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnc(OCC)cn2)[C@H]1C ZINC000994551430 768834136 /nfs/dbraw/zinc/83/41/36/768834136.db2.gz UXGIUMSSOUHRTE-CHWSQXEVSA-N 1 2 338.839 2.211 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnns3)C[C@H]2C)cc1 ZINC000942552722 782703363 /nfs/dbraw/zinc/70/33/63/782703363.db2.gz IHZBNNRRHIWBEY-CXAGYDPISA-N 1 2 340.452 2.160 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnns3)C[C@H]2C)cc1 ZINC000942552722 782703370 /nfs/dbraw/zinc/70/33/70/782703370.db2.gz IHZBNNRRHIWBEY-CXAGYDPISA-N 1 2 340.452 2.160 20 30 EEEDLO CC(C)[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)Nc1ncc(C#N)cc1F ZINC001105298514 769624295 /nfs/dbraw/zinc/62/42/95/769624295.db2.gz KCHQHPRNPJDSDO-OAHLLOKOSA-N 1 2 344.394 2.001 20 30 EEEDLO CC(C)[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)Nc1ncc(C#N)cc1F ZINC001105298514 769624301 /nfs/dbraw/zinc/62/43/01/769624301.db2.gz KCHQHPRNPJDSDO-OAHLLOKOSA-N 1 2 344.394 2.001 20 30 EEEDLO C[C@H](C[C@H](C)Nc1ncccc1C#N)NC(=O)CCc1c[nH]c[nH+]1 ZINC001089498539 769910819 /nfs/dbraw/zinc/91/08/19/769910819.db2.gz INEIKKPBPQPYGI-OLZOCXBDSA-N 1 2 326.404 2.004 20 30 EEEDLO C[C@H](C[C@H](C)Nc1ncccc1C#N)NC(=O)CCc1c[nH+]c[nH]1 ZINC001089498539 769910823 /nfs/dbraw/zinc/91/08/23/769910823.db2.gz INEIKKPBPQPYGI-OLZOCXBDSA-N 1 2 326.404 2.004 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060734227 770020762 /nfs/dbraw/zinc/02/07/62/770020762.db2.gz NMUDTQUGPFMLAN-SHTZXODSSA-N 1 2 346.475 2.346 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C=C3CCCCC3)C2)nn1 ZINC001098626514 770060456 /nfs/dbraw/zinc/06/04/56/770060456.db2.gz UBHXKEBNGIFYAM-GOSISDBHSA-N 1 2 341.459 2.055 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2conc2C)[C@@H](C)C1 ZINC000942588776 782808442 /nfs/dbraw/zinc/80/84/42/782808442.db2.gz NJIDJUPFGSRKCX-TVQRCGJNSA-N 1 2 342.237 2.332 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2conc2C)[C@@H](C)C1 ZINC000942588776 782808444 /nfs/dbraw/zinc/80/84/44/782808444.db2.gz NJIDJUPFGSRKCX-TVQRCGJNSA-N 1 2 342.237 2.332 20 30 EEEDLO Cc1nscc1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031624725 770412410 /nfs/dbraw/zinc/41/24/10/770412410.db2.gz QMIICMLAQARSQO-UHFFFAOYSA-N 1 2 325.437 2.165 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001060743519 770669552 /nfs/dbraw/zinc/66/95/52/770669552.db2.gz ILYYGXRONLPZED-WKILWMFISA-N 1 2 346.475 2.408 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C)no3)CC[C@@H]2C1 ZINC001088093121 782896390 /nfs/dbraw/zinc/89/63/90/782896390.db2.gz JZHUQRHOOCEQQR-VKJFTORMSA-N 1 2 332.448 2.261 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C)no3)CC[C@@H]2C1 ZINC001088093121 782896395 /nfs/dbraw/zinc/89/63/95/782896395.db2.gz JZHUQRHOOCEQQR-VKJFTORMSA-N 1 2 332.448 2.261 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1coc(C)n1 ZINC001027891042 774068216 /nfs/dbraw/zinc/06/82/16/774068216.db2.gz OYPYLGHURQKPSZ-BBWFWOEESA-N 1 2 333.432 2.045 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1coc(C)n1 ZINC001027891042 774068221 /nfs/dbraw/zinc/06/82/21/774068221.db2.gz OYPYLGHURQKPSZ-BBWFWOEESA-N 1 2 333.432 2.045 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2COc3cc(C)c(C)cc32)C1 ZINC001108098792 783209156 /nfs/dbraw/zinc/20/91/56/783209156.db2.gz ZUASZBJFUSKKDE-XLIONFOSSA-N 1 2 344.455 2.173 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2COc3cc(C)c(C)cc32)C1 ZINC001108098792 783209161 /nfs/dbraw/zinc/20/91/61/783209161.db2.gz ZUASZBJFUSKKDE-XLIONFOSSA-N 1 2 344.455 2.173 20 30 EEEDLO Cc1noc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)c1C ZINC001031756683 775024555 /nfs/dbraw/zinc/02/45/55/775024555.db2.gz PIFSJMPBWNSPCV-UHFFFAOYSA-N 1 2 342.374 2.164 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001027966927 775308727 /nfs/dbraw/zinc/30/87/27/775308727.db2.gz YHNXRWOKJGILMJ-JSGCOSHPSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001027966927 775308741 /nfs/dbraw/zinc/30/87/41/775308741.db2.gz YHNXRWOKJGILMJ-JSGCOSHPSA-N 1 2 336.867 2.412 20 30 EEEDLO O=C([C@@H]1CCOC1)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000980802134 775639339 /nfs/dbraw/zinc/63/93/39/775639339.db2.gz MXNCBGXSWKFTOD-QGZVFWFLSA-N 1 2 346.858 2.262 20 30 EEEDLO O=C([C@@H]1CCOC1)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000980802134 775639344 /nfs/dbraw/zinc/63/93/44/775639344.db2.gz MXNCBGXSWKFTOD-QGZVFWFLSA-N 1 2 346.858 2.262 20 30 EEEDLO CO[C@H]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031794223 775751601 /nfs/dbraw/zinc/75/16/01/775751601.db2.gz SKAMGVIGAHEUGH-WMZOPIPTSA-N 1 2 345.418 2.060 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)nc1 ZINC001028061778 776918863 /nfs/dbraw/zinc/91/88/63/776918863.db2.gz ZJZHADMQJXGLHV-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)nc1 ZINC001028061778 776918864 /nfs/dbraw/zinc/91/88/64/776918864.db2.gz ZJZHADMQJXGLHV-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)c2ncccn2)cc1 ZINC001028067341 776952977 /nfs/dbraw/zinc/95/29/77/776952977.db2.gz QWQTYTAYAQTEFT-QAPCUYQASA-N 1 2 334.423 2.413 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)c2ncccn2)cc1 ZINC001028067341 776952986 /nfs/dbraw/zinc/95/29/86/776952986.db2.gz QWQTYTAYAQTEFT-QAPCUYQASA-N 1 2 334.423 2.413 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)c2nnc(C)o2)cc1 ZINC001028066543 776961679 /nfs/dbraw/zinc/96/16/79/776961679.db2.gz CYERXYSQNILDBD-SUMWQHHRSA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)c2nnc(C)o2)cc1 ZINC001028066543 776961683 /nfs/dbraw/zinc/96/16/83/776961683.db2.gz CYERXYSQNILDBD-SUMWQHHRSA-N 1 2 338.411 2.315 20 30 EEEDLO CCc1cncc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)c1 ZINC001031850086 777377068 /nfs/dbraw/zinc/37/70/68/777377068.db2.gz OSWDVRORKRJRIP-UHFFFAOYSA-N 1 2 340.452 2.439 20 30 EEEDLO C[C@H]1CO[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC001031857619 777607303 /nfs/dbraw/zinc/60/73/03/777607303.db2.gz DGLCBUKHQYHSHB-KDOFPFPSSA-N 1 2 346.858 2.165 20 30 EEEDLO COc1ccc(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)cn1 ZINC000981584086 777716407 /nfs/dbraw/zinc/71/64/07/777716407.db2.gz RHJIQCQPVCEYIC-UHFFFAOYSA-N 1 2 349.434 2.290 20 30 EEEDLO COc1ccc(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)cn1 ZINC000981584086 777716417 /nfs/dbraw/zinc/71/64/17/777716417.db2.gz RHJIQCQPVCEYIC-UHFFFAOYSA-N 1 2 349.434 2.290 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000940035201 777912247 /nfs/dbraw/zinc/91/22/47/777912247.db2.gz CUNFIAQBMIOZLC-UMVBOHGHSA-N 1 2 344.459 2.005 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+]([C@@H](C)c1nc(C3CC3)no1)C2 ZINC000981669601 777949086 /nfs/dbraw/zinc/94/90/86/777949086.db2.gz PVBQMRPIJNCNLA-STQMWFEESA-N 1 2 343.431 2.092 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@H+]([C@@H](C)c1nc(C3CC3)no1)C2 ZINC000981669601 777949090 /nfs/dbraw/zinc/94/90/90/777949090.db2.gz PVBQMRPIJNCNLA-STQMWFEESA-N 1 2 343.431 2.092 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@H]1C[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091392295 790584240 /nfs/dbraw/zinc/58/42/40/790584240.db2.gz XPKGVPMNOMXLGQ-KFWWJZLASA-N 1 2 346.479 2.155 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](CC(=O)NC2CCCC2)CC1 ZINC000981740754 778122404 /nfs/dbraw/zinc/12/24/04/778122404.db2.gz AUALNVNGMHCXOV-UHFFFAOYSA-N 1 2 335.492 2.182 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+](CC(=O)NC2CCCC2)CC1 ZINC000981740754 778122409 /nfs/dbraw/zinc/12/24/09/778122409.db2.gz AUALNVNGMHCXOV-UHFFFAOYSA-N 1 2 335.492 2.182 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)c2ncc(C)o2)c1 ZINC001028126690 778268962 /nfs/dbraw/zinc/26/89/62/778268962.db2.gz OIGZIWYQFGKSBF-WMLDXEAASA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)c2ncc(C)o2)c1 ZINC001028126690 778268971 /nfs/dbraw/zinc/26/89/71/778268971.db2.gz OIGZIWYQFGKSBF-WMLDXEAASA-N 1 2 338.411 2.315 20 30 EEEDLO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1)[C@@H]1CCCO1 ZINC000981913546 778542464 /nfs/dbraw/zinc/54/24/64/778542464.db2.gz VFRNSWBQQHYDNR-APWZRJJASA-N 1 2 341.455 2.408 20 30 EEEDLO C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1)[C@@H]1CCCO1 ZINC000981913546 778542469 /nfs/dbraw/zinc/54/24/69/778542469.db2.gz VFRNSWBQQHYDNR-APWZRJJASA-N 1 2 341.455 2.408 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@@H+](Cc2nccn2C)C3)cc1 ZINC000981930458 778578309 /nfs/dbraw/zinc/57/83/09/778578309.db2.gz HYTCCLFDJCJOAT-UHFFFAOYSA-N 1 2 348.450 2.140 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+](Cc2nccn2C)C3)cc1 ZINC000981930458 778578310 /nfs/dbraw/zinc/57/83/10/778578310.db2.gz HYTCCLFDJCJOAT-UHFFFAOYSA-N 1 2 348.450 2.140 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)c1cnco1 ZINC001031884324 778583107 /nfs/dbraw/zinc/58/31/07/778583107.db2.gz VAVKUMJTIUPGIH-UHFFFAOYSA-N 1 2 329.787 2.041 20 30 EEEDLO COc1csc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c1 ZINC001031894578 778813375 /nfs/dbraw/zinc/81/33/75/778813375.db2.gz UOJHUDZSTDVQDX-UHFFFAOYSA-N 1 2 340.448 2.470 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cn2c(=O)[nH]c3ccccc32)CC1 ZINC000982027590 778923070 /nfs/dbraw/zinc/92/30/70/778923070.db2.gz YMAQSEIDMGWUFI-UHFFFAOYSA-N 1 2 348.834 2.029 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cn2c(=O)[nH]c3ccccc32)CC1 ZINC000982027590 778923074 /nfs/dbraw/zinc/92/30/74/778923074.db2.gz YMAQSEIDMGWUFI-UHFFFAOYSA-N 1 2 348.834 2.029 20 30 EEEDLO C=C1CCC(C(=O)N(CC)CCNc2[nH+]cnc3c2cnn3C)CC1 ZINC001106932794 779208248 /nfs/dbraw/zinc/20/82/48/779208248.db2.gz PXJJNMSSFZLQMM-UHFFFAOYSA-N 1 2 342.447 2.370 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001031910390 779332849 /nfs/dbraw/zinc/33/28/49/779332849.db2.gz LROZTEOPTJHZIC-PIIMJCKOSA-N 1 2 326.415 2.271 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]cc1C ZINC001028315342 780695478 /nfs/dbraw/zinc/69/54/78/780695478.db2.gz KXRRSORNIYSLGU-GFCCVEGCSA-N 1 2 326.238 2.426 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]cc1C ZINC001028315342 780695482 /nfs/dbraw/zinc/69/54/82/780695482.db2.gz KXRRSORNIYSLGU-GFCCVEGCSA-N 1 2 326.238 2.426 20 30 EEEDLO CC(C)n1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)c1 ZINC001032540912 790830882 /nfs/dbraw/zinc/83/08/82/790830882.db2.gz VZFXFCXSJMATPR-ROUUACIJSA-N 1 2 349.438 2.435 20 30 EEEDLO CC(C)n1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)c1 ZINC001032540912 790830896 /nfs/dbraw/zinc/83/08/96/790830896.db2.gz VZFXFCXSJMATPR-ROUUACIJSA-N 1 2 349.438 2.435 20 30 EEEDLO C[C@H](CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)Nc1cccc(F)c1C#N ZINC001098268326 781560633 /nfs/dbraw/zinc/56/06/33/781560633.db2.gz UJQSSYNYWDNPMI-VXGBXAGGSA-N 1 2 341.390 2.457 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccon2)[C@@H]1CC ZINC001087576316 781874488 /nfs/dbraw/zinc/87/44/88/781874488.db2.gz AIWRNJZOZSHGSA-TWMKSMIVSA-N 1 2 333.432 2.125 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccon2)[C@@H]1CC ZINC001087576316 781874498 /nfs/dbraw/zinc/87/44/98/781874498.db2.gz AIWRNJZOZSHGSA-TWMKSMIVSA-N 1 2 333.432 2.125 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ccsn2)[C@@H](C)C1 ZINC000942171779 781884941 /nfs/dbraw/zinc/88/49/41/781884941.db2.gz DVJDZAUVXKLLHD-GXSJLCMTSA-N 1 2 344.278 2.492 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ccsn2)[C@@H](C)C1 ZINC000942171779 781884951 /nfs/dbraw/zinc/88/49/51/781884951.db2.gz DVJDZAUVXKLLHD-GXSJLCMTSA-N 1 2 344.278 2.492 20 30 EEEDLO CC(C)Cc1nc(C[NH2+][C@H]2CCCCCN(C(=O)[C@@H](C)C#N)C2)no1 ZINC001088279062 783343366 /nfs/dbraw/zinc/34/33/66/783343366.db2.gz JHGFMTJYDYNDSL-GJZGRUSLSA-N 1 2 347.463 2.289 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)OCc2ccc(C)cc2)C1 ZINC001108102023 783346017 /nfs/dbraw/zinc/34/60/17/783346017.db2.gz YATPZRSUAWCBMF-PXNSSMCTSA-N 1 2 346.471 2.293 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)OCc2ccc(C)cc2)C1 ZINC001108102023 783346026 /nfs/dbraw/zinc/34/60/26/783346026.db2.gz YATPZRSUAWCBMF-PXNSSMCTSA-N 1 2 346.471 2.293 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NCC[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001131870423 783371294 /nfs/dbraw/zinc/37/12/94/783371294.db2.gz SSFMWXRYNMNUQT-GOSISDBHSA-N 1 2 337.464 2.407 20 30 EEEDLO Cc1nc(N2CCC([C@@H](C)NC(=O)[C@H](C)C#N)CC2)c(C)c(C)[nH+]1 ZINC001126621406 783450221 /nfs/dbraw/zinc/45/02/21/783450221.db2.gz CQBHFIZTBDZNTJ-BXUZGUMPSA-N 1 2 329.448 2.283 20 30 EEEDLO C[C@H](C[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1)NC(=O)c1[nH]ncc1F ZINC001135407585 783718616 /nfs/dbraw/zinc/71/86/16/783718616.db2.gz KUNIUEHGJCJPKH-CHWSQXEVSA-N 1 2 346.381 2.226 20 30 EEEDLO C#CCC1(C(=O)NCC[NH2+][C@H](C)c2nc(C(C)(C)C)no2)CCC1 ZINC001129141978 784253008 /nfs/dbraw/zinc/25/30/08/784253008.db2.gz AMWWKZPQNNMODA-CYBMUJFWSA-N 1 2 332.448 2.328 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2conc2C2CCCC2)C1 ZINC001035393672 784436415 /nfs/dbraw/zinc/43/64/15/784436415.db2.gz HRWGWZFHRAUUDP-HNNXBMFYSA-N 1 2 333.432 2.339 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2conc2C2CCCC2)C1 ZINC001035393672 784436422 /nfs/dbraw/zinc/43/64/22/784436422.db2.gz HRWGWZFHRAUUDP-HNNXBMFYSA-N 1 2 333.432 2.339 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC001035406172 784476718 /nfs/dbraw/zinc/47/67/18/784476718.db2.gz FJRXFUOWOSXZDH-BFHYXJOUSA-N 1 2 334.382 2.358 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC001035406172 784476723 /nfs/dbraw/zinc/47/67/23/784476723.db2.gz FJRXFUOWOSXZDH-BFHYXJOUSA-N 1 2 334.382 2.358 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2sc(C)nc2CC(C)C)C1 ZINC001035436620 784524513 /nfs/dbraw/zinc/52/45/13/784524513.db2.gz RSDJZIJZZPWPTJ-HNNXBMFYSA-N 1 2 349.500 2.104 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2sc(C)nc2CC(C)C)C1 ZINC001035436620 784524519 /nfs/dbraw/zinc/52/45/19/784524519.db2.gz RSDJZIJZZPWPTJ-HNNXBMFYSA-N 1 2 349.500 2.104 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnc(CC3CC3)s2)C1 ZINC001035460791 784581138 /nfs/dbraw/zinc/58/11/38/784581138.db2.gz RZDWQBXAJCQDIK-CQSZACIVSA-N 1 2 335.473 2.102 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnc(CC3CC3)s2)C1 ZINC001035460791 784581143 /nfs/dbraw/zinc/58/11/43/784581143.db2.gz RZDWQBXAJCQDIK-CQSZACIVSA-N 1 2 335.473 2.102 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2nsc3ccc(C)cc32)C1 ZINC001035465812 784588845 /nfs/dbraw/zinc/58/88/45/784588845.db2.gz BQPVEXHQNOTVCN-AWEZNQCLSA-N 1 2 343.452 2.059 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2nsc3ccc(C)cc32)C1 ZINC001035465812 784588850 /nfs/dbraw/zinc/58/88/50/784588850.db2.gz BQPVEXHQNOTVCN-AWEZNQCLSA-N 1 2 343.452 2.059 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC001035540869 784646073 /nfs/dbraw/zinc/64/60/73/784646073.db2.gz DPEUQICMOPGYAY-YESZJQIVSA-N 1 2 334.847 2.447 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC001035540869 784646078 /nfs/dbraw/zinc/64/60/78/784646078.db2.gz DPEUQICMOPGYAY-YESZJQIVSA-N 1 2 334.847 2.447 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnn(CC3CCCC3)c2)C1 ZINC001035559284 784732656 /nfs/dbraw/zinc/73/26/56/784732656.db2.gz YEJUTKMNKCROEZ-GOSISDBHSA-N 1 2 346.475 2.080 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnn(CC3CCCC3)c2)C1 ZINC001035559284 784732658 /nfs/dbraw/zinc/73/26/58/784732658.db2.gz YEJUTKMNKCROEZ-GOSISDBHSA-N 1 2 346.475 2.080 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc3c(cccc3C)o2)C1 ZINC001035616384 784855582 /nfs/dbraw/zinc/85/55/82/784855582.db2.gz JRJPQKSNGRXFFA-OAHLLOKOSA-N 1 2 326.396 2.195 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc3c(cccc3C)o2)C1 ZINC001035616384 784855591 /nfs/dbraw/zinc/85/55/91/784855591.db2.gz JRJPQKSNGRXFFA-OAHLLOKOSA-N 1 2 326.396 2.195 20 30 EEEDLO C=C1CCC(C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)CC1 ZINC000908067311 785061340 /nfs/dbraw/zinc/06/13/40/785061340.db2.gz NKVDPGRWWFETEF-UHFFFAOYSA-N 1 2 327.432 2.392 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC2(C[NH+](Cc3cc4n(n3)CCC4)C2)CC1 ZINC001035767604 785087793 /nfs/dbraw/zinc/08/77/93/785087793.db2.gz QREWWXKZNUWIMK-UHFFFAOYSA-N 1 2 342.487 2.466 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001063491113 791118787 /nfs/dbraw/zinc/11/87/87/791118787.db2.gz LKYZNPJVUOQSHP-RRFJBIMHSA-N 1 2 344.459 2.271 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001063491113 791118792 /nfs/dbraw/zinc/11/87/92/791118792.db2.gz LKYZNPJVUOQSHP-RRFJBIMHSA-N 1 2 344.459 2.271 20 30 EEEDLO CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1nc(C2CCC2)no1 ZINC000995790166 785716661 /nfs/dbraw/zinc/71/66/61/785716661.db2.gz BESGEYZFTVWYQC-OAHLLOKOSA-N 1 2 342.443 2.077 20 30 EEEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCCC[C@H](C)CC)nn2)C1 ZINC001107176626 786206975 /nfs/dbraw/zinc/20/69/75/786206975.db2.gz DZHHPYWOKFDUEQ-MRXNPFEDSA-N 1 2 345.491 2.381 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2CC[NH+](Cc3nccn3C)CC2)cc1 ZINC001005805461 786536829 /nfs/dbraw/zinc/53/68/29/786536829.db2.gz JZLDIPIKCJKZON-UHFFFAOYSA-N 1 2 336.439 2.138 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1O ZINC001090537013 786794287 /nfs/dbraw/zinc/79/42/87/786794287.db2.gz QICOEADVMUGNDO-CLCXKQKWSA-N 1 2 346.475 2.176 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)c(F)c(F)c2)[C@@H](O)C1 ZINC001090575292 787028532 /nfs/dbraw/zinc/02/85/32/787028532.db2.gz DSZQBVUZFGBSJW-STQMWFEESA-N 1 2 348.752 2.021 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(F)c(F)c(F)c2)[C@@H](O)C1 ZINC001090575292 787028541 /nfs/dbraw/zinc/02/85/41/787028541.db2.gz DSZQBVUZFGBSJW-STQMWFEESA-N 1 2 348.752 2.021 20 30 EEEDLO C=C1CCC(C(=O)NC/C=C/CNc2[nH+]cnc3c2cnn3C)CC1 ZINC001107493376 787408817 /nfs/dbraw/zinc/40/88/17/787408817.db2.gz FLRGTNLZNHEWJO-ONEGZZNKSA-N 1 2 340.431 2.194 20 30 EEEDLO Cc1cc(C)c(C(=O)NC/C=C\CNc2ccc(C#N)nn2)c(C)[nH+]1 ZINC001107600052 787844472 /nfs/dbraw/zinc/84/44/72/787844472.db2.gz YINHCSAREVWXMT-PLNGDYQASA-N 1 2 336.399 2.067 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3ccncc3c2)[C@@H](O)C1 ZINC001090700490 787862377 /nfs/dbraw/zinc/86/23/77/787862377.db2.gz KEZZBDDULZGFEK-SJORKVTESA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3ccncc3c2)[C@@H](O)C1 ZINC001090700490 787862387 /nfs/dbraw/zinc/86/23/87/787862387.db2.gz KEZZBDDULZGFEK-SJORKVTESA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001062315377 787874970 /nfs/dbraw/zinc/87/49/70/787874970.db2.gz UFMDAAKTYHSJPL-GDBMZVCRSA-N 1 2 346.475 2.360 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001079008947 787896050 /nfs/dbraw/zinc/89/60/50/787896050.db2.gz JVOUOOGOXKBUGO-MRXNPFEDSA-N 1 2 346.475 2.158 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(CC(C)C)c[nH]2)[C@@H](O)C1 ZINC001090731405 787947741 /nfs/dbraw/zinc/94/77/41/787947741.db2.gz RMZQUTLEZCKSEQ-HOCLYGCPSA-N 1 2 339.867 2.131 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(CC(C)C)c[nH]2)[C@@H](O)C1 ZINC001090731405 787947748 /nfs/dbraw/zinc/94/77/48/787947748.db2.gz RMZQUTLEZCKSEQ-HOCLYGCPSA-N 1 2 339.867 2.131 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001079021900 788384173 /nfs/dbraw/zinc/38/41/73/788384173.db2.gz UTCXHXQIPOLPKW-INIZCTEOSA-N 1 2 346.475 2.394 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001079021900 788384178 /nfs/dbraw/zinc/38/41/78/788384178.db2.gz UTCXHXQIPOLPKW-INIZCTEOSA-N 1 2 346.475 2.394 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001108166586 788445390 /nfs/dbraw/zinc/44/53/90/788445390.db2.gz CWLMGKZYJJTYCY-KRWDZBQOSA-N 1 2 338.810 2.323 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001108166586 788445392 /nfs/dbraw/zinc/44/53/92/788445392.db2.gz CWLMGKZYJJTYCY-KRWDZBQOSA-N 1 2 338.810 2.323 20 30 EEEDLO C[C@@H](C#N)C(=O)NC[C@@]1(C)C[N@H+](CCc2ccccc2Cl)CCO1 ZINC001107820977 788603939 /nfs/dbraw/zinc/60/39/39/788603939.db2.gz HFDIYNBFXHYWSK-KSSFIOAISA-N 1 2 349.862 2.249 20 30 EEEDLO C[C@@H](C#N)C(=O)NC[C@@]1(C)C[N@@H+](CCc2ccccc2Cl)CCO1 ZINC001107820977 788603944 /nfs/dbraw/zinc/60/39/44/788603944.db2.gz HFDIYNBFXHYWSK-KSSFIOAISA-N 1 2 349.862 2.249 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001108168766 788614186 /nfs/dbraw/zinc/61/41/86/788614186.db2.gz DRBQJCGHASAZED-IBGZPJMESA-N 1 2 343.427 2.183 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001108168766 788614192 /nfs/dbraw/zinc/61/41/92/788614192.db2.gz DRBQJCGHASAZED-IBGZPJMESA-N 1 2 343.427 2.183 20 30 EEEDLO C=CCCCC(=O)NC[C@]1(C)C[N@H+](CCc2ccns2)CCO1 ZINC001108171423 788845313 /nfs/dbraw/zinc/84/53/13/788845313.db2.gz HZPZWZXQVDODSJ-QGZVFWFLSA-N 1 2 337.489 2.249 20 30 EEEDLO C=CCCCC(=O)NC[C@]1(C)C[N@@H+](CCc2ccns2)CCO1 ZINC001108171423 788845318 /nfs/dbraw/zinc/84/53/18/788845318.db2.gz HZPZWZXQVDODSJ-QGZVFWFLSA-N 1 2 337.489 2.249 20 30 EEEDLO C#CCCCCCC(=O)NCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001077745221 788913078 /nfs/dbraw/zinc/91/30/78/788913078.db2.gz NRCSZVZWHRSVHC-CVEARBPZSA-N 1 2 346.475 2.183 20 30 EEEDLO C#CCCCCCC(=O)NCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001077745221 788913081 /nfs/dbraw/zinc/91/30/81/788913081.db2.gz NRCSZVZWHRSVHC-CVEARBPZSA-N 1 2 346.475 2.183 20 30 EEEDLO COc1cccc([C@H](C#N)NC(=O)C[C@H](C)n2cc[nH+]c2)c1OC ZINC000844460798 789135289 /nfs/dbraw/zinc/13/52/89/789135289.db2.gz AZVPXHUOUCSRHD-JSGCOSHPSA-N 1 2 328.372 2.232 20 30 EEEDLO C#CCCCC(=O)NC[C@@]1(C)C[N@H+](CCc2csc(C)n2)CCO1 ZINC001107901753 789206621 /nfs/dbraw/zinc/20/66/21/789206621.db2.gz XCJMRMCVOTUXGZ-SFHVURJKSA-N 1 2 349.500 2.005 20 30 EEEDLO C#CCCCC(=O)NC[C@@]1(C)C[N@@H+](CCc2csc(C)n2)CCO1 ZINC001107901753 789206628 /nfs/dbraw/zinc/20/66/28/789206628.db2.gz XCJMRMCVOTUXGZ-SFHVURJKSA-N 1 2 349.500 2.005 20 30 EEEDLO CCOC[C@H]1C[N@H+](Cc2cncc(C#N)c2)Cc2c1cnn2CC ZINC001144075944 789211864 /nfs/dbraw/zinc/21/18/64/789211864.db2.gz WQPVGVPJKHBESJ-MRXNPFEDSA-N 1 2 325.416 2.306 20 30 EEEDLO CCOC[C@H]1C[N@@H+](Cc2cncc(C#N)c2)Cc2c1cnn2CC ZINC001144075944 789211873 /nfs/dbraw/zinc/21/18/73/789211873.db2.gz WQPVGVPJKHBESJ-MRXNPFEDSA-N 1 2 325.416 2.306 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](CNc2cc[nH+]c(C)n2)C2(C1)CCOCC2 ZINC001090283497 789649228 /nfs/dbraw/zinc/64/92/28/789649228.db2.gz CYKKKQGKRDFEQM-MRXNPFEDSA-N 1 2 344.459 2.418 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001107949503 789738681 /nfs/dbraw/zinc/73/86/81/789738681.db2.gz NMRKQBVAVJKBQA-ZJOUEHCJSA-N 1 2 340.467 2.411 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001107949503 789738686 /nfs/dbraw/zinc/73/86/86/789738686.db2.gz NMRKQBVAVJKBQA-ZJOUEHCJSA-N 1 2 340.467 2.411 20 30 EEEDLO COc1cccc(NC(=O)[C@@H](C#N)C(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC000845442511 789780362 /nfs/dbraw/zinc/78/03/62/789780362.db2.gz YVLKZOBMPOZMDO-WFASDCNBSA-N 1 2 326.356 2.190 20 30 EEEDLO CC(C)(C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O)C1CCC1 ZINC001083676132 789971336 /nfs/dbraw/zinc/97/13/36/789971336.db2.gz LAJUUVOIEYEKIG-CVEARBPZSA-N 1 2 347.484 2.107 20 30 EEEDLO CC(C)(C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O)C1CCC1 ZINC001083676132 789971341 /nfs/dbraw/zinc/97/13/41/789971341.db2.gz LAJUUVOIEYEKIG-CVEARBPZSA-N 1 2 347.484 2.107 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001063053653 790176204 /nfs/dbraw/zinc/17/62/04/790176204.db2.gz YRJLYHASBVOLMQ-RYRKJORJSA-N 1 2 344.459 2.193 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@@H](CCNC(=O)Cc3c[nH]c[nH+]3)C2)CCC1 ZINC001060335220 790191037 /nfs/dbraw/zinc/19/10/37/790191037.db2.gz FPLDZBLMESYRHB-OAHLLOKOSA-N 1 2 344.459 2.053 20 30 EEEDLO C=CCCCC(=O)N(C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079055289 790222421 /nfs/dbraw/zinc/22/24/21/790222421.db2.gz WCXCJSWYDKYOLW-MRXNPFEDSA-N 1 2 332.448 2.148 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001106067243 791283589 /nfs/dbraw/zinc/28/35/89/791283589.db2.gz SRAIFIWKPQQRFW-CABCVRRESA-N 1 2 346.475 2.155 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106067247 791283863 /nfs/dbraw/zinc/28/38/63/791283863.db2.gz SSJJOBRXNSLVLM-DZGCQCFKSA-N 1 2 332.448 2.154 20 30 EEEDLO CSCCC(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001146959371 791598552 /nfs/dbraw/zinc/59/85/52/791598552.db2.gz QLDQAXJCAUQBIA-UHFFFAOYSA-N 1 2 347.459 2.485 20 30 EEEDLO CSCCC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001146959371 791598560 /nfs/dbraw/zinc/59/85/60/791598560.db2.gz QLDQAXJCAUQBIA-UHFFFAOYSA-N 1 2 347.459 2.485 20 30 EEEDLO COCCCC(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147106672 791704432 /nfs/dbraw/zinc/70/44/32/791704432.db2.gz WRBBZBMKUASJPW-UHFFFAOYSA-N 1 2 345.418 2.158 20 30 EEEDLO COCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147106672 791704436 /nfs/dbraw/zinc/70/44/36/791704436.db2.gz WRBBZBMKUASJPW-UHFFFAOYSA-N 1 2 345.418 2.158 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nnc(CC)[nH]1)C2 ZINC001147381626 791806658 /nfs/dbraw/zinc/80/66/58/791806658.db2.gz NJFGZOIKYKRMNL-HNNXBMFYSA-N 1 2 343.475 2.156 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nnc(CC)[nH]1)C2 ZINC001147381626 791806659 /nfs/dbraw/zinc/80/66/59/791806659.db2.gz NJFGZOIKYKRMNL-HNNXBMFYSA-N 1 2 343.475 2.156 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001106080345 791819739 /nfs/dbraw/zinc/81/97/39/791819739.db2.gz KRLGACDTVMSFDR-KUHUBIRLSA-N 1 2 346.475 2.155 20 30 EEEDLO Cc1nnc([C@H](C)[N@@H+]2CCC3(CN(C(=O)C#CC(C)C)C3)C2)s1 ZINC001147514777 791852832 /nfs/dbraw/zinc/85/28/32/791852832.db2.gz VSGLMOTYFOJGHW-ZDUSSCGKSA-N 1 2 332.473 2.101 20 30 EEEDLO Cc1nnc([C@H](C)[N@H+]2CCC3(CN(C(=O)C#CC(C)C)C3)C2)s1 ZINC001147514777 791852836 /nfs/dbraw/zinc/85/28/36/791852836.db2.gz VSGLMOTYFOJGHW-ZDUSSCGKSA-N 1 2 332.473 2.101 20 30 EEEDLO Cc1nnc([C@H](C)[N@@H+]2CCC3(CN(C(=O)C#CC(C)(C)C)C3)C2)s1 ZINC001147541123 791859414 /nfs/dbraw/zinc/85/94/14/791859414.db2.gz IVKFRQRAOVCNKK-ZDUSSCGKSA-N 1 2 346.500 2.491 20 30 EEEDLO Cc1nnc([C@H](C)[N@H+]2CCC3(CN(C(=O)C#CC(C)(C)C)C3)C2)s1 ZINC001147541123 791859420 /nfs/dbraw/zinc/85/94/20/791859420.db2.gz IVKFRQRAOVCNKK-ZDUSSCGKSA-N 1 2 346.500 2.491 20 30 EEEDLO C=CCC1(C(=O)NC[C@H](O)CNc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001106082243 791892219 /nfs/dbraw/zinc/89/22/19/791892219.db2.gz QAWUSSCMNVPRDN-OAHLLOKOSA-N 1 2 344.459 2.298 20 30 EEEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1noc3c1COCC3)C2 ZINC001147646798 791896901 /nfs/dbraw/zinc/89/69/01/791896901.db2.gz CRZKCGPHVKMGFR-UHFFFAOYSA-N 1 2 345.443 2.138 20 30 EEEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1noc3c1COCC3)C2 ZINC001147646798 791896906 /nfs/dbraw/zinc/89/69/06/791896906.db2.gz CRZKCGPHVKMGFR-UHFFFAOYSA-N 1 2 345.443 2.138 20 30 EEEDLO C=C(Br)CN1CC(NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001030709156 792191813 /nfs/dbraw/zinc/19/18/13/792191813.db2.gz YWJIUUDSGWCUOU-UHFFFAOYSA-N 1 2 338.249 2.329 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1cn(C(C)C)nn1)C2 ZINC001148131546 792207607 /nfs/dbraw/zinc/20/76/07/792207607.db2.gz VHVVEODVWLVSLP-MRXNPFEDSA-N 1 2 345.491 2.496 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1cn(C(C)C)nn1)C2 ZINC001148131546 792207611 /nfs/dbraw/zinc/20/76/11/792207611.db2.gz VHVVEODVWLVSLP-MRXNPFEDSA-N 1 2 345.491 2.496 20 30 EEEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2nc(CC)no2)C3)CC1 ZINC001148221478 792257848 /nfs/dbraw/zinc/25/78/48/792257848.db2.gz ZGGYWZMMBSXPCK-UHFFFAOYSA-N 1 2 344.459 2.413 20 30 EEEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2nc(CC)no2)C3)CC1 ZINC001148221478 792257856 /nfs/dbraw/zinc/25/78/56/792257856.db2.gz ZGGYWZMMBSXPCK-UHFFFAOYSA-N 1 2 344.459 2.413 20 30 EEEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2cnns2)C3)CC1 ZINC001148262695 792290537 /nfs/dbraw/zinc/29/05/37/792290537.db2.gz PQJDIZPGNDORSX-UHFFFAOYSA-N 1 2 332.473 2.319 20 30 EEEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2cnns2)C3)CC1 ZINC001148262695 792290547 /nfs/dbraw/zinc/29/05/47/792290547.db2.gz PQJDIZPGNDORSX-UHFFFAOYSA-N 1 2 332.473 2.319 20 30 EEEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2ncc(C(C)(C)C)o2)nc1 ZINC001148376353 792402728 /nfs/dbraw/zinc/40/27/28/792402728.db2.gz HVMMWMWWVSBOCA-CYBMUJFWSA-N 1 2 340.427 2.429 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCC1(NC(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001064110517 792429672 /nfs/dbraw/zinc/42/96/72/792429672.db2.gz YAYRSPVPSWEHDO-CQSZACIVSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCC1(NC(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001064110517 792429677 /nfs/dbraw/zinc/42/96/77/792429677.db2.gz YAYRSPVPSWEHDO-CQSZACIVSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001106094647 792868138 /nfs/dbraw/zinc/86/81/38/792868138.db2.gz LXGLVWOXDOGTTQ-AWEZNQCLSA-N 1 2 332.448 2.154 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001091916172 793402338 /nfs/dbraw/zinc/40/23/38/793402338.db2.gz CRZJTBOGQOJECK-BEFAXECRSA-N 1 2 345.491 2.352 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3C(C)C)C[C@@]2(C)C1 ZINC001091916172 793402340 /nfs/dbraw/zinc/40/23/40/793402340.db2.gz CRZJTBOGQOJECK-BEFAXECRSA-N 1 2 345.491 2.352 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CCN1c1cccc(F)c1C#N ZINC001092038968 793496831 /nfs/dbraw/zinc/49/68/31/793496831.db2.gz YHMSYEBEXUIVIU-CJNGLKHVSA-N 1 2 341.390 2.068 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1O ZINC001092171386 793634741 /nfs/dbraw/zinc/63/47/41/793634741.db2.gz GHNYZNYRXKYIHN-CVEARBPZSA-N 1 2 346.475 2.060 20 30 EEEDLO Cc1nc(N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)ccc1C#N ZINC001064793296 793773238 /nfs/dbraw/zinc/77/32/38/793773238.db2.gz ULIWCHKXGWUJFP-DOMZBBRYSA-N 1 2 338.415 2.019 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CC=CCC1)c1nccn12 ZINC001092387540 793883290 /nfs/dbraw/zinc/88/32/90/793883290.db2.gz YMQGIIHNHGCZLA-IRXDYDNUSA-N 1 2 338.455 2.225 20 30 EEEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001092834619 794395970 /nfs/dbraw/zinc/39/59/70/794395970.db2.gz TZOWOUSAHYOEFX-IKGGRYGDSA-N 1 2 326.444 2.377 20 30 EEEDLO C[C@H](CC(=O)N[C@@H](CNc1ccc(C#N)nc1)C1CC1)n1cc[nH+]c1 ZINC001109991897 806343090 /nfs/dbraw/zinc/34/30/90/806343090.db2.gz UUHSZOAPEPQERM-DYVFJYSZSA-N 1 2 338.415 2.108 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)no1 ZINC001079388526 794681199 /nfs/dbraw/zinc/68/11/99/794681199.db2.gz NINIQBLRRJKVSE-PIGZYNQJSA-N 1 2 342.374 2.244 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]2C)no1 ZINC001079388526 794681202 /nfs/dbraw/zinc/68/12/02/794681202.db2.gz NINIQBLRRJKVSE-PIGZYNQJSA-N 1 2 342.374 2.244 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1cncs1 ZINC001079462234 794798105 /nfs/dbraw/zinc/79/81/05/794798105.db2.gz GHDHXTAMYTVTQK-IAQYHMDHSA-N 1 2 344.415 2.404 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1cncs1 ZINC001079462234 794798111 /nfs/dbraw/zinc/79/81/11/794798111.db2.gz GHDHXTAMYTVTQK-IAQYHMDHSA-N 1 2 344.415 2.404 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H](C)c3ccncc3)CC2)C1 ZINC001093545987 795359987 /nfs/dbraw/zinc/35/99/87/795359987.db2.gz BEZAQEXPTFUFIT-MRXNPFEDSA-N 1 2 343.471 2.453 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cc[nH]c3C3CC3)CC2)C1 ZINC001093564061 795374531 /nfs/dbraw/zinc/37/45/31/795374531.db2.gz RVJVXZCCYHHDDQ-UHFFFAOYSA-N 1 2 329.444 2.384 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)C1 ZINC001093595061 795398562 /nfs/dbraw/zinc/39/85/62/795398562.db2.gz IBSLTCIHEBGQKY-UHFFFAOYSA-N 1 2 343.471 2.244 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccnc2N2CCCC2)C1 ZINC001080061656 795550357 /nfs/dbraw/zinc/55/03/57/795550357.db2.gz FQMYKHZHVWMXLA-CZUORRHYSA-N 1 2 348.878 2.484 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccnc2N2CCCC2)C1 ZINC001080061656 795550365 /nfs/dbraw/zinc/55/03/65/795550365.db2.gz FQMYKHZHVWMXLA-CZUORRHYSA-N 1 2 348.878 2.484 20 30 EEEDLO C=CCOc1cccnc1C(=O)N[C@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106435129 795589043 /nfs/dbraw/zinc/58/90/43/795589043.db2.gz LCBGHLRLZLJOGI-CYBMUJFWSA-N 1 2 341.415 2.365 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC(N(CC)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001080144017 795620096 /nfs/dbraw/zinc/62/00/96/795620096.db2.gz KTZVNNOOJVVZNA-UHFFFAOYSA-N 1 2 346.475 2.349 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC(N(CC)C(=O)CCc2c[nH+]cn2C)C1 ZINC001080247089 795756045 /nfs/dbraw/zinc/75/60/45/795756045.db2.gz 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798719661 /nfs/dbraw/zinc/71/96/61/798719661.db2.gz RAXKKVFHCLOYSJ-IAGOWNOFSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CCC=CCC3)C[C@@H]21 ZINC001177149929 798774146 /nfs/dbraw/zinc/77/41/46/798774146.db2.gz FJCYDPLLKBGNLZ-RBUKOAKNSA-N 1 2 348.487 2.237 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CCC=CCC3)C[C@@H]21 ZINC001177149929 798774150 /nfs/dbraw/zinc/77/41/50/798774150.db2.gz FJCYDPLLKBGNLZ-RBUKOAKNSA-N 1 2 348.487 2.237 20 30 EEEDLO C=CCCCCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3nonc3C)C[C@@H]21 ZINC001177158732 798780933 /nfs/dbraw/zinc/78/09/33/798780933.db2.gz ZQMBGBATJUMDAT-JKSUJKDBSA-N 1 2 348.447 2.040 20 30 EEEDLO C=CCCCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nonc3C)C[C@@H]21 ZINC001177158732 798780939 /nfs/dbraw/zinc/78/09/39/798780939.db2.gz ZQMBGBATJUMDAT-JKSUJKDBSA-N 1 2 348.447 2.040 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001177163730 798784243 /nfs/dbraw/zinc/78/42/43/798784243.db2.gz WZRXVNLCGQSTFA-MOPGFXCFSA-N 1 2 344.455 2.081 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001177163730 798784246 /nfs/dbraw/zinc/78/42/46/798784246.db2.gz WZRXVNLCGQSTFA-MOPGFXCFSA-N 1 2 344.455 2.081 20 30 EEEDLO C=CC(C)(C)CC(=O)NCc1cnn2c1C[N@H+](CCCOCC)CC2 ZINC001128366710 799060373 /nfs/dbraw/zinc/06/03/73/799060373.db2.gz KLWWUTYPJFFSHG-UHFFFAOYSA-N 1 2 348.491 2.344 20 30 EEEDLO C=CC(C)(C)CC(=O)NCc1cnn2c1C[N@@H+](CCCOCC)CC2 ZINC001128366710 799060377 /nfs/dbraw/zinc/06/03/77/799060377.db2.gz KLWWUTYPJFFSHG-UHFFFAOYSA-N 1 2 348.491 2.344 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C[C@@H]3CC[C@H]4C[C@H]43)c2C1 ZINC001128397444 799204994 /nfs/dbraw/zinc/20/49/94/799204994.db2.gz YGNNXUUOLZABLK-YQQAZPJKSA-N 1 2 328.460 2.327 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C[C@@H]3CC[C@H]4C[C@H]43)c2C1 ZINC001128397444 799204998 /nfs/dbraw/zinc/20/49/98/799204998.db2.gz YGNNXUUOLZABLK-YQQAZPJKSA-N 1 2 328.460 2.327 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCCCC)C2)CC1 ZINC001065687064 799305552 /nfs/dbraw/zinc/30/55/52/799305552.db2.gz WLOGCLHMUUFSHF-KRWDZBQOSA-N 1 2 335.492 2.278 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C(C)=C/CC)C2)CC1 ZINC001065692149 799367479 /nfs/dbraw/zinc/36/74/79/799367479.db2.gz POHOYTCXAOGECW-SMHZUEHJSA-N 1 2 347.503 2.444 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)/C(C)=C/CC)C2)CC1 ZINC001065692151 799368360 /nfs/dbraw/zinc/36/83/60/799368360.db2.gz POHOYTCXAOGECW-ZUPDTJCQSA-N 1 2 347.503 2.444 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](OC)C2)CC1 ZINC001003194142 799379167 /nfs/dbraw/zinc/37/91/67/799379167.db2.gz RKTFTDZMWRVBQV-GXTWGEPZSA-N 1 2 345.281 2.291 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C/C=C(/C)C=C)C2)CC1 ZINC001065708660 799402634 /nfs/dbraw/zinc/40/26/34/799402634.db2.gz HHKMVDJPUSYXSR-ZKLMEHKCSA-N 1 2 345.487 2.220 20 30 EEEDLO C#CCCCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CCC)CC2)C1 ZINC001065709656 799404646 /nfs/dbraw/zinc/40/46/46/799404646.db2.gz XYJDEEHMYMLDKU-SFHVURJKSA-N 1 2 347.503 2.115 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]([NH2+]Cc2nnc(C(F)F)s2)[C@@H]1C ZINC001178582374 799522221 /nfs/dbraw/zinc/52/22/21/799522221.db2.gz YVZIBDBEXPCPIL-QWRGUYRKSA-N 1 2 342.415 2.358 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001065972183 799820575 /nfs/dbraw/zinc/82/05/75/799820575.db2.gz JOWNRBWKASVJIY-CVEARBPZSA-N 1 2 332.448 2.298 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2nnn(C(C)(C)C)n2)[C@@H]1C ZINC001179384868 799911738 /nfs/dbraw/zinc/91/17/38/799911738.db2.gz ZBZHHQOCRBXOGG-KKUMJFAQSA-N 1 2 348.495 2.109 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([NH2+]Cc2nnn(C(C)(C)C)n2)[C@@H]1C ZINC001179388580 799912721 /nfs/dbraw/zinc/91/27/21/799912721.db2.gz KTDAILHWSDUTLU-ZNMIVQPWSA-N 1 2 348.495 2.109 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(C)on2)CC1 ZINC001003788291 800183011 /nfs/dbraw/zinc/18/30/11/800183011.db2.gz NHLUCBGLFWDKEW-IRXDYDNUSA-N 1 2 333.432 2.045 20 30 EEEDLO CN(C(=O)c1ccccn1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032863974 800194713 /nfs/dbraw/zinc/19/47/13/800194713.db2.gz ZUMLJMRIRXZVRT-MRXNPFEDSA-N 1 2 338.386 2.439 20 30 EEEDLO CN(C(=O)c1ccccn1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032863974 800194721 /nfs/dbraw/zinc/19/47/21/800194721.db2.gz ZUMLJMRIRXZVRT-MRXNPFEDSA-N 1 2 338.386 2.439 20 30 EEEDLO C=C(C)C[NH2+]CCCCCCNC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC001180035461 800235761 /nfs/dbraw/zinc/23/57/61/800235761.db2.gz FXUDSBWJYCQUTG-UHFFFAOYSA-N 1 2 344.463 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C(F)F)CCCC2)[C@H](O)C1 ZINC001099970137 800412515 /nfs/dbraw/zinc/41/25/15/800412515.db2.gz SNGUCSASNJVUPP-NWDGAFQWSA-N 1 2 336.810 2.116 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C(F)F)CCCC2)[C@H](O)C1 ZINC001099970137 800412522 /nfs/dbraw/zinc/41/25/22/800412522.db2.gz SNGUCSASNJVUPP-NWDGAFQWSA-N 1 2 336.810 2.116 20 30 EEEDLO CN(C(=O)c1ccon1)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032929940 800448008 /nfs/dbraw/zinc/44/80/08/800448008.db2.gz CUNFVWPRBPVNHV-AWEZNQCLSA-N 1 2 328.347 2.032 20 30 EEEDLO CN(C(=O)c1ccon1)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032929940 800448013 /nfs/dbraw/zinc/44/80/13/800448013.db2.gz CUNFVWPRBPVNHV-AWEZNQCLSA-N 1 2 328.347 2.032 20 30 EEEDLO CN(C(=O)c1cocn1)[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032949511 800482619 /nfs/dbraw/zinc/48/26/19/800482619.db2.gz DDMVPRRSRDXIIQ-AWEZNQCLSA-N 1 2 328.347 2.032 20 30 EEEDLO CN(C(=O)c1cocn1)[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032949511 800482624 /nfs/dbraw/zinc/48/26/24/800482624.db2.gz DDMVPRRSRDXIIQ-AWEZNQCLSA-N 1 2 328.347 2.032 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NCC3(Nc4ncccc4C#N)CC3)ccn12 ZINC001110238426 800495879 /nfs/dbraw/zinc/49/58/79/800495879.db2.gz JDAPVRRBPRUYSU-UHFFFAOYSA-N 1 2 346.394 2.284 20 30 EEEDLO CCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cn1 ZINC001032957120 800522300 /nfs/dbraw/zinc/52/23/00/800522300.db2.gz CCDNIKNVOKBUGA-GOSISDBHSA-N 1 2 337.427 2.121 20 30 EEEDLO CCn1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cn1 ZINC001032957120 800522302 /nfs/dbraw/zinc/52/23/02/800522302.db2.gz CCDNIKNVOKBUGA-GOSISDBHSA-N 1 2 337.427 2.121 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)c1ccccn1 ZINC001085457944 800549336 /nfs/dbraw/zinc/54/93/36/800549336.db2.gz WXXSPHFUCQDQQL-ZDUSSCGKSA-N 1 2 326.425 2.361 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)c1ccccn1 ZINC001085457944 800549339 /nfs/dbraw/zinc/54/93/39/800549339.db2.gz WXXSPHFUCQDQQL-ZDUSSCGKSA-N 1 2 326.425 2.361 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCO1 ZINC001085466222 800567582 /nfs/dbraw/zinc/56/75/82/800567582.db2.gz QKMPLRDTDLGVNK-ZWKOTPCHSA-N 1 2 346.858 2.403 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCO1 ZINC001085466222 800567585 /nfs/dbraw/zinc/56/75/85/800567585.db2.gz QKMPLRDTDLGVNK-ZWKOTPCHSA-N 1 2 346.858 2.403 20 30 EEEDLO C=CCCC(=O)NC1(CCOC)CC[NH+](Cc2nccn2CC)CC1 ZINC001151007458 800661070 /nfs/dbraw/zinc/66/10/70/800661070.db2.gz NDDOKCRXZKIVKC-UHFFFAOYSA-N 1 2 348.491 2.357 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CCCOC1 ZINC001085515103 800682005 /nfs/dbraw/zinc/68/20/05/800682005.db2.gz UKZGJEMCWQOMAN-KGLIPLIRSA-N 1 2 333.457 2.079 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CCCOC1 ZINC001085515103 800682006 /nfs/dbraw/zinc/68/20/06/800682006.db2.gz UKZGJEMCWQOMAN-KGLIPLIRSA-N 1 2 333.457 2.079 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)sc1C ZINC001032986033 800682486 /nfs/dbraw/zinc/68/24/86/800682486.db2.gz LQQBWXLNFKRIBM-CQSZACIVSA-N 1 2 343.456 2.306 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)sc1C ZINC001032986033 800682489 /nfs/dbraw/zinc/68/24/89/800682489.db2.gz LQQBWXLNFKRIBM-CQSZACIVSA-N 1 2 343.456 2.306 20 30 EEEDLO N#Cc1ccc(O[C@H]2CCCN(C(=O)Cc3cc[nH+]c(N)c3)C2)cc1 ZINC001181258334 800746606 /nfs/dbraw/zinc/74/66/06/800746606.db2.gz XXXSHNQRINEJMT-KRWDZBQOSA-N 1 2 336.395 2.148 20 30 EEEDLO C#Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)c3ncc(C)o3)CC2)nc1 ZINC001004003249 800762553 /nfs/dbraw/zinc/76/25/53/800762553.db2.gz ICYLDQVAFDWNSE-CQSZACIVSA-N 1 2 338.411 2.315 20 30 EEEDLO CN(C(=O)[C@H]1CCCCO1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033017761 800804380 /nfs/dbraw/zinc/80/43/80/800804380.db2.gz WVLCWHKWIQIVJP-FUHWJXTLSA-N 1 2 345.418 2.299 20 30 EEEDLO CN(C(=O)[C@H]1CCCCO1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033017761 800804389 /nfs/dbraw/zinc/80/43/89/800804389.db2.gz WVLCWHKWIQIVJP-FUHWJXTLSA-N 1 2 345.418 2.299 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1CC1(F)F ZINC001085586075 800826953 /nfs/dbraw/zinc/82/69/53/800826953.db2.gz NQFVDBHKKLHMNI-ZWNOBZJWSA-N 1 2 325.384 2.308 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@H]1CC1(F)F ZINC001085586075 800826957 /nfs/dbraw/zinc/82/69/57/800826957.db2.gz NQFVDBHKKLHMNI-ZWNOBZJWSA-N 1 2 325.384 2.308 20 30 EEEDLO Cc1nc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)co1 ZINC001033026111 800941687 /nfs/dbraw/zinc/94/16/87/800941687.db2.gz LOIPXUKMDXMSSN-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1nc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)co1 ZINC001033026111 800941693 /nfs/dbraw/zinc/94/16/93/800941693.db2.gz LOIPXUKMDXMSSN-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cnc(C)o1 ZINC001085641820 800956429 /nfs/dbraw/zinc/95/64/29/800956429.db2.gz XIWHVDDQFPVZBO-OAHLLOKOSA-N 1 2 328.416 2.317 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cnc(C)o1 ZINC001085641820 800956432 /nfs/dbraw/zinc/95/64/32/800956432.db2.gz XIWHVDDQFPVZBO-OAHLLOKOSA-N 1 2 328.416 2.317 20 30 EEEDLO CCn1ccnc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033049003 801118242 /nfs/dbraw/zinc/11/82/42/801118242.db2.gz QIPSHISCRYPBGI-KRWDZBQOSA-N 1 2 337.427 2.121 20 30 EEEDLO CCn1ccnc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033049003 801118248 /nfs/dbraw/zinc/11/82/48/801118248.db2.gz QIPSHISCRYPBGI-KRWDZBQOSA-N 1 2 337.427 2.121 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2cnc(C)nc2)cc1 ZINC001085757556 801198471 /nfs/dbraw/zinc/19/84/71/801198471.db2.gz KIIAKKHYINPCBQ-IBGZPJMESA-N 1 2 334.423 2.113 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2cnc(C)nc2)cc1 ZINC001085757556 801198477 /nfs/dbraw/zinc/19/84/77/801198477.db2.gz KIIAKKHYINPCBQ-IBGZPJMESA-N 1 2 334.423 2.113 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2scnc2C(F)F)C1 ZINC001108067132 801355208 /nfs/dbraw/zinc/35/52/08/801355208.db2.gz UCVSHCMTIUFPHO-CQSZACIVSA-N 1 2 331.388 2.087 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2scnc2C(F)F)C1 ZINC001108067132 801355214 /nfs/dbraw/zinc/35/52/14/801355214.db2.gz UCVSHCMTIUFPHO-CQSZACIVSA-N 1 2 331.388 2.087 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nc([C@H](C)OCC)no2)C1 ZINC001182947548 801403803 /nfs/dbraw/zinc/40/38/03/801403803.db2.gz YXSXZISGGVEZBJ-UONOGXRCSA-N 1 2 336.436 2.214 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001108211295 801441719 /nfs/dbraw/zinc/44/17/19/801441719.db2.gz OMPUDFNPMPMBAG-JXFKEZNVSA-N 1 2 346.446 2.235 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC001108211295 801441722 /nfs/dbraw/zinc/44/17/22/801441722.db2.gz OMPUDFNPMPMBAG-JXFKEZNVSA-N 1 2 346.446 2.235 20 30 EEEDLO COCC1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001183830494 801761227 /nfs/dbraw/zinc/76/12/27/801761227.db2.gz ZRLNXUPQJGXDEQ-GOSISDBHSA-N 1 2 327.428 2.018 20 30 EEEDLO COCC1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001183830494 801761232 /nfs/dbraw/zinc/76/12/32/801761232.db2.gz ZRLNXUPQJGXDEQ-GOSISDBHSA-N 1 2 327.428 2.018 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc3ccncc3n2)CC1 ZINC001004491638 802201428 /nfs/dbraw/zinc/20/14/28/802201428.db2.gz WMSVHVHPVDTOBB-LJQANCHMSA-N 1 2 349.438 2.470 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc3ccncc3n2)CC1 ZINC001004491638 802201432 /nfs/dbraw/zinc/20/14/32/802201432.db2.gz WMSVHVHPVDTOBB-LJQANCHMSA-N 1 2 349.438 2.470 20 30 EEEDLO CN(C(=O)c1ccns1)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033131440 802226211 /nfs/dbraw/zinc/22/62/11/802226211.db2.gz QEUQJULULBZNPL-MRXNPFEDSA-N 1 2 325.437 2.341 20 30 EEEDLO CN(C(=O)c1ccns1)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033131440 802226215 /nfs/dbraw/zinc/22/62/15/802226215.db2.gz QEUQJULULBZNPL-MRXNPFEDSA-N 1 2 325.437 2.341 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001066427566 802373002 /nfs/dbraw/zinc/37/30/02/802373002.db2.gz CKSKEZYQEHRMCY-DLBZAZTESA-N 1 2 346.475 2.373 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cccc3c2OCC3)CC1 ZINC001004552437 802375651 /nfs/dbraw/zinc/37/56/51/802375651.db2.gz OXMNVESGTAJARJ-SFHVURJKSA-N 1 2 339.439 2.462 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cccc3c2OCC3)CC1 ZINC001004552437 802375656 /nfs/dbraw/zinc/37/56/56/802375656.db2.gz OXMNVESGTAJARJ-SFHVURJKSA-N 1 2 339.439 2.462 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001066432297 802403730 /nfs/dbraw/zinc/40/37/30/802403730.db2.gz USUKVRRVVLWUSY-HUUCEWRRSA-N 1 2 332.448 2.052 20 30 EEEDLO CCn1ncc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c1C ZINC001004577907 802403862 /nfs/dbraw/zinc/40/38/62/802403862.db2.gz UTQCAIMSHZJJBA-KRWDZBQOSA-N 1 2 329.448 2.052 20 30 EEEDLO CCn1ncc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c1C ZINC001004577907 802403867 /nfs/dbraw/zinc/40/38/67/802403867.db2.gz UTQCAIMSHZJJBA-KRWDZBQOSA-N 1 2 329.448 2.052 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@@H]2CCCOC2)CC1 ZINC001004588636 802407884 /nfs/dbraw/zinc/40/78/84/802407884.db2.gz AZEPVGUVINDSMO-WMZOPIPTSA-N 1 2 333.476 2.420 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[C@@H]2CCCOC2)CC1 ZINC001004588636 802407889 /nfs/dbraw/zinc/40/78/89/802407889.db2.gz AZEPVGUVINDSMO-WMZOPIPTSA-N 1 2 333.476 2.420 20 30 EEEDLO C=CCCC1(C(=O)N2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001066561140 803204530 /nfs/dbraw/zinc/20/45/30/803204530.db2.gz FVQVOMSMQDPXRJ-OAHLLOKOSA-N 1 2 344.459 2.196 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccoc2Br)C1 ZINC001108324652 803291621 /nfs/dbraw/zinc/29/16/21/803291621.db2.gz CBWKGSNKOURBFV-AWEZNQCLSA-N 1 2 343.221 2.049 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccoc2Br)C1 ZINC001108324652 803291624 /nfs/dbraw/zinc/29/16/24/803291624.db2.gz CBWKGSNKOURBFV-AWEZNQCLSA-N 1 2 343.221 2.049 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001108349337 803335167 /nfs/dbraw/zinc/33/51/67/803335167.db2.gz CMVFOMWWLSZPFE-XLIONFOSSA-N 1 2 328.456 2.329 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001108349337 803335175 /nfs/dbraw/zinc/33/51/75/803335175.db2.gz CMVFOMWWLSZPFE-XLIONFOSSA-N 1 2 328.456 2.329 20 30 EEEDLO C=CCCOCC(=O)NC[C@]1(C)C[N@H+](Cc2ccsc2)CCO1 ZINC001108429460 803543180 /nfs/dbraw/zinc/54/31/80/803543180.db2.gz IKFWDXMABIFEKC-QGZVFWFLSA-N 1 2 338.473 2.048 20 30 EEEDLO C=CCCOCC(=O)NC[C@]1(C)C[N@@H+](Cc2ccsc2)CCO1 ZINC001108429460 803543182 /nfs/dbraw/zinc/54/31/82/803543182.db2.gz IKFWDXMABIFEKC-QGZVFWFLSA-N 1 2 338.473 2.048 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H](Nc2c(C#N)c(Cl)nc3cccc(F)c32)C[NH2+]1 ZINC001169129711 803624773 /nfs/dbraw/zinc/62/47/73/803624773.db2.gz FIWLJOKDIGDTHJ-PELKAZGASA-N 1 2 348.765 2.214 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](C)C(CC)CC)CC2=O)C1 ZINC001108553811 804057842 /nfs/dbraw/zinc/05/78/42/804057842.db2.gz WVCQBYAUOXBHII-HOCLYGCPSA-N 1 2 335.492 2.036 20 30 EEEDLO COCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001108989967 804788511 /nfs/dbraw/zinc/78/85/11/804788511.db2.gz IFFDEJSJUVPSSX-NJAFHUGGSA-N 1 2 345.418 2.345 20 30 EEEDLO COCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001108989967 804788515 /nfs/dbraw/zinc/78/85/15/804788515.db2.gz IFFDEJSJUVPSSX-NJAFHUGGSA-N 1 2 345.418 2.345 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC001112676461 806990648 /nfs/dbraw/zinc/99/06/48/806990648.db2.gz MHTWCFGOIOMIPQ-INIZCTEOSA-N 1 2 344.455 2.342 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(OC)no1 ZINC001109171191 805065044 /nfs/dbraw/zinc/06/50/44/805065044.db2.gz HSNFMXVOIXJFMB-KBMXLJTQSA-N 1 2 331.416 2.098 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(OC)no1 ZINC001109171191 805065052 /nfs/dbraw/zinc/06/50/52/805065052.db2.gz HSNFMXVOIXJFMB-KBMXLJTQSA-N 1 2 331.416 2.098 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](C)CN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001109220350 805150855 /nfs/dbraw/zinc/15/08/55/805150855.db2.gz XRQWXTJBUDSXHN-LIRRHRJNSA-N 1 2 345.491 2.008 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](C)CN(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001109220350 805150863 /nfs/dbraw/zinc/15/08/63/805150863.db2.gz XRQWXTJBUDSXHN-LIRRHRJNSA-N 1 2 345.491 2.008 20 30 EEEDLO Cc1nsc(N(C)C[C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)c1C#N ZINC001109253560 805189125 /nfs/dbraw/zinc/18/91/25/805189125.db2.gz DZMWLYJYHSPWNG-NWDGAFQWSA-N 1 2 346.460 2.112 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CCCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001109343983 805331329 /nfs/dbraw/zinc/33/13/29/805331329.db2.gz IULWQJILINGFIQ-HZPDHXFCSA-N 1 2 332.448 2.465 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001112785273 807236904 /nfs/dbraw/zinc/23/69/04/807236904.db2.gz VYCNSBUHJFPKBP-GDBMZVCRSA-N 1 2 332.448 2.193 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](CCOc2c(C)cccc2C)CC1 ZINC001112814914 807330051 /nfs/dbraw/zinc/33/00/51/807330051.db2.gz YCCOQPSZOQVOBL-FQEVSTJZSA-N 1 2 346.471 2.154 20 30 EEEDLO Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)CSCC#N)nc(C2CC2)[nH+]1 ZINC001112911800 807595344 /nfs/dbraw/zinc/59/53/44/807595344.db2.gz RVMFAURKXXUPRI-NWDGAFQWSA-N 1 2 333.461 2.224 20 30 EEEDLO C=CC[C@@H](NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccncc1 ZINC000789027230 807815986 /nfs/dbraw/zinc/81/59/86/807815986.db2.gz OVBSPGCYGZQFQQ-NVXWUHKLSA-N 1 2 332.448 2.061 20 30 EEEDLO C#CCOCCC(=O)N[C@H](C)[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001113164995 808321023 /nfs/dbraw/zinc/32/10/23/808321023.db2.gz CTCBEDZSQLSNOY-ZIAGYGMSSA-N 1 2 344.459 2.009 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnc3ccsc3c2)CC1 ZINC001113190380 808393293 /nfs/dbraw/zinc/39/32/93/808393293.db2.gz JJLLIKLHTBYKHK-UHFFFAOYSA-N 1 2 331.441 2.257 20 30 EEEDLO C#CCCCCCC(=O)N1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC001113205019 808427935 /nfs/dbraw/zinc/42/79/35/808427935.db2.gz HIUWDNGGAGDMGK-HNNXBMFYSA-N 1 2 328.403 2.139 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)C(C)(C)c2cccc(F)c2)CC1 ZINC001113338734 808764161 /nfs/dbraw/zinc/76/41/61/808764161.db2.gz KVOHIADTDFHQDA-UHFFFAOYSA-N 1 2 334.435 2.450 20 30 EEEDLO C#CCCCS(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000791418107 809235221 /nfs/dbraw/zinc/23/52/21/809235221.db2.gz WXVZXRWPTJMPST-OAHLLOKOSA-N 1 2 328.865 2.276 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3ccc(C)cc3[nH]2)[C@H](O)C1 ZINC001090457281 809410521 /nfs/dbraw/zinc/41/05/21/809410521.db2.gz BLAKQGLORQTABI-RHSMWYFYSA-N 1 2 347.846 2.394 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3ccc(C)cc3[nH]2)[C@H](O)C1 ZINC001090457281 809410523 /nfs/dbraw/zinc/41/05/23/809410523.db2.gz BLAKQGLORQTABI-RHSMWYFYSA-N 1 2 347.846 2.394 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H](C)N(C)c2cc(C)[nH+]c(C3CC3)n2)nc1 ZINC001113663794 809506026 /nfs/dbraw/zinc/50/60/26/809506026.db2.gz PYEGNWPYCACDJI-CQSZACIVSA-N 1 2 349.438 2.293 20 30 EEEDLO C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)N(C)c1ncccc1C#N ZINC001113970262 810131175 /nfs/dbraw/zinc/13/11/75/810131175.db2.gz MREIRFWMAFAIRX-LBPRGKRZSA-N 1 2 334.383 2.084 20 30 EEEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)Nc3cccc(Cl)c3)C[C@H]21 ZINC001114002123 810175242 /nfs/dbraw/zinc/17/52/42/810175242.db2.gz JCKWKUHGYHIWSR-HWWDLCQESA-N 1 2 347.846 2.291 20 30 EEEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)Nc3cccc(Cl)c3)C[C@H]21 ZINC001114002123 810175247 /nfs/dbraw/zinc/17/52/47/810175247.db2.gz JCKWKUHGYHIWSR-HWWDLCQESA-N 1 2 347.846 2.291 20 30 EEEDLO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793180325 810176911 /nfs/dbraw/zinc/17/69/11/810176911.db2.gz SRSQNKJGUZHNGP-CQSZACIVSA-N 1 2 326.400 2.362 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CC[C@H]1C ZINC001114027100 810211738 /nfs/dbraw/zinc/21/17/38/810211738.db2.gz IIIAMCHASJKMKL-GDBMZVCRSA-N 1 2 346.475 2.442 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2c2ccccc2)nc1 ZINC001086620133 810657231 /nfs/dbraw/zinc/65/72/31/810657231.db2.gz ZUNDBAGIODOPDX-PKOBYXMFSA-N 1 2 337.398 2.230 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2c2ccccc2)nc1 ZINC001086620133 810657236 /nfs/dbraw/zinc/65/72/36/810657236.db2.gz ZUNDBAGIODOPDX-PKOBYXMFSA-N 1 2 337.398 2.230 20 30 EEEDLO CCCC[C@@H](CNc1nc(C)ccc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001114274435 810729497 /nfs/dbraw/zinc/72/94/97/810729497.db2.gz HKNJNMOGMJSJPS-HNNXBMFYSA-N 1 2 340.431 2.314 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](CCCC)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129466026 810856651 /nfs/dbraw/zinc/85/66/51/810856651.db2.gz VVUNEGDWILLVBJ-KURKYZTESA-N 1 2 345.491 2.105 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CCCC)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129466026 810856660 /nfs/dbraw/zinc/85/66/60/810856660.db2.gz VVUNEGDWILLVBJ-KURKYZTESA-N 1 2 345.491 2.105 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H](C)C#N)C1 ZINC001130315247 811444208 /nfs/dbraw/zinc/44/42/08/811444208.db2.gz ORPFSWMQQJVTOJ-WFASDCNBSA-N 1 2 348.834 2.063 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@@H](C)C#N)C1 ZINC001130315247 811444209 /nfs/dbraw/zinc/44/42/09/811444209.db2.gz ORPFSWMQQJVTOJ-WFASDCNBSA-N 1 2 348.834 2.063 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[NH2+]Cc2nc(C)c(C)o2)cc1 ZINC001130371386 811520895 /nfs/dbraw/zinc/52/08/95/811520895.db2.gz QHVHQPVAWOTBHQ-UHFFFAOYSA-N 1 2 329.400 2.376 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840431 812351284 /nfs/dbraw/zinc/35/12/84/812351284.db2.gz CFJOFOJHCUIBMZ-ZDUSSCGKSA-N 1 2 327.211 2.413 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840431 812351294 /nfs/dbraw/zinc/35/12/94/812351294.db2.gz CFJOFOJHCUIBMZ-ZDUSSCGKSA-N 1 2 327.211 2.413 20 30 EEEDLO C[C@@H](CCC(C)(C)C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131110778 812391642 /nfs/dbraw/zinc/39/16/42/812391642.db2.gz ZDLBTNMZHDGRDX-ARFHVFGLSA-N 1 2 345.491 2.290 20 30 EEEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1nc(-c2ccsc2)no1 ZINC001437745925 1090311173 /nfs/dbraw/zinc/31/11/73/1090311173.db2.gz NZKUDUKTGPSSTR-LBPRGKRZSA-N 1 2 347.444 2.286 20 30 EEEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1nc(-c2ccsc2)no1 ZINC001437745925 1090311180 /nfs/dbraw/zinc/31/11/80/1090311180.db2.gz NZKUDUKTGPSSTR-LBPRGKRZSA-N 1 2 347.444 2.286 20 30 EEEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)Cc2cccs2)CC1 ZINC001437953438 1090550971 /nfs/dbraw/zinc/55/09/71/1090550971.db2.gz MCDVSLQYJAOPKN-UHFFFAOYSA-N 1 2 341.908 2.119 20 30 EEEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)[C@]1(C)CCOC1 ZINC001442969692 1097392442 /nfs/dbraw/zinc/39/24/42/1097392442.db2.gz ZZANTNBKFQVDQG-CQSZACIVSA-N 1 2 333.270 2.150 20 30 EEEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)[C@]1(C)CCOC1 ZINC001442969692 1097392444 /nfs/dbraw/zinc/39/24/44/1097392444.db2.gz ZZANTNBKFQVDQG-CQSZACIVSA-N 1 2 333.270 2.150 20 30 EEEDLO CC(C)[C@H](C)C(=O)NCC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001479938810 1099358160 /nfs/dbraw/zinc/35/81/60/1099358160.db2.gz MKZAJUYMQUELSV-KRWDZBQOSA-N 1 2 342.487 2.084 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2csc(C)c2C)C1 ZINC001494270780 1103785995 /nfs/dbraw/zinc/78/59/95/1103785995.db2.gz JCPPSZDFEDNMAM-DZGCQCFKSA-N 1 2 349.500 2.250 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2csc(C)c2C)C1 ZINC001494270780 1103786009 /nfs/dbraw/zinc/78/60/09/1103786009.db2.gz JCPPSZDFEDNMAM-DZGCQCFKSA-N 1 2 349.500 2.250 20 30 EEEDLO Cn1cc(C#N)c(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)n1 ZINC001465771559 1110423570 /nfs/dbraw/zinc/42/35/70/1110423570.db2.gz NKHQJTAEUXUERS-HNNXBMFYSA-N 1 2 335.371 2.051 20 30 EEEDLO Cc1nnc(N(C)C[C@H](C)C#N)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001511773561 1118242597 /nfs/dbraw/zinc/24/25/97/1118242597.db2.gz CMDSQQFFIYKOHX-OAHLLOKOSA-N 1 2 349.442 2.476 20 30 EEEDLO CCOCCCn1c(C[NH+]2CCCCC2)nnc1N(C)[C@H](C)CC#N ZINC001524519637 1120153099 /nfs/dbraw/zinc/15/30/99/1120153099.db2.gz LVRZVJOVDSQDDC-MRXNPFEDSA-N 1 2 348.495 2.429 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2cnns2)[C@@H]1CC ZINC001087603009 781923930 /nfs/dbraw/zinc/92/39/30/781923930.db2.gz TYGQSQPTWHYSIW-LSDHHAIUSA-N 1 2 345.472 2.309 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2cnns2)[C@@H]1CC ZINC001087603009 781923935 /nfs/dbraw/zinc/92/39/35/781923935.db2.gz TYGQSQPTWHYSIW-LSDHHAIUSA-N 1 2 345.472 2.309 20 30 EEEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000160118119 539520688 /nfs/dbraw/zinc/52/06/88/539520688.db2.gz SEGIRXUAWATRAJ-OAHLLOKOSA-N 1 2 340.345 2.393 20 30 EEEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000160118119 539520690 /nfs/dbraw/zinc/52/06/90/539520690.db2.gz SEGIRXUAWATRAJ-OAHLLOKOSA-N 1 2 340.345 2.393 20 30 EEEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000131867265 237212334 /nfs/dbraw/zinc/21/23/34/237212334.db2.gz DXBSWSFZVYAQCY-RDJZCZTQSA-N 1 2 330.432 2.051 20 30 EEEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)c3ccsc3)CC2)cc1 ZINC000268607165 252063298 /nfs/dbraw/zinc/06/32/98/252063298.db2.gz JXVJGYFOYSUJGW-KRWDZBQOSA-N 1 2 341.436 2.111 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000268680193 252133476 /nfs/dbraw/zinc/13/34/76/252133476.db2.gz MBINSFJYOFPAHI-UZLBHIALSA-N 1 2 336.439 2.365 20 30 EEEDLO C[C@H]1C[NH+]=C(N2CCN(c3snc(Cl)c3C#N)CC2)S1 ZINC000267217447 256038854 /nfs/dbraw/zinc/03/88/54/256038854.db2.gz NBWPJWKHKOOWTB-QMMMGPOBSA-N 1 2 327.866 2.281 20 30 EEEDLO Cc1cc(C[NH+]2CCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)on1 ZINC000267906423 256095520 /nfs/dbraw/zinc/09/55/20/256095520.db2.gz DIUBFMINCYLLPX-UHFFFAOYSA-N 1 2 327.344 2.085 20 30 EEEDLO N#Cc1c(C[NH+]2CCN(c3ncc(F)cn3)CC2)cn2ccccc12 ZINC000273756038 256324415 /nfs/dbraw/zinc/32/44/15/256324415.db2.gz UMGVCRXTNCOVBW-UHFFFAOYSA-N 1 2 336.374 2.062 20 30 EEEDLO N#Cc1ccccc1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000119363407 221304711 /nfs/dbraw/zinc/30/47/11/221304711.db2.gz LKWPEEVTIBIDKS-OAHLLOKOSA-N 1 2 345.424 2.267 20 30 EEEDLO CSCC[C@](C)(C#N)NC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000344687860 533672801 /nfs/dbraw/zinc/67/28/01/533672801.db2.gz XXTJNAWILRDUFA-GRDNDAEWSA-N 1 2 332.473 2.305 20 30 EEEDLO N#Cc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000357243621 141031711 /nfs/dbraw/zinc/03/17/11/141031711.db2.gz YNRIOBLXGAZRLH-UHFFFAOYSA-N 1 2 325.328 2.442 20 30 EEEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120483922 142390491 /nfs/dbraw/zinc/39/04/91/142390491.db2.gz DCRVFOLSRHPVGO-RDTXWAMCSA-N 1 2 337.379 2.400 20 30 EEEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1nnc2ccccn21 ZINC000172612884 152101062 /nfs/dbraw/zinc/10/10/62/152101062.db2.gz JYILPSIMOPHGMQ-OLZOCXBDSA-N 1 2 334.383 2.279 20 30 EEEDLO COCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1cccnc1 ZINC000191234918 152244953 /nfs/dbraw/zinc/24/49/53/152244953.db2.gz UAMLQNCPSBMIFX-UHFFFAOYSA-N 1 2 342.399 2.250 20 30 EEEDLO COCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1cccnc1 ZINC000191234918 152244955 /nfs/dbraw/zinc/24/49/55/152244955.db2.gz UAMLQNCPSBMIFX-UHFFFAOYSA-N 1 2 342.399 2.250 20 30 EEEDLO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352262314 153029042 /nfs/dbraw/zinc/02/90/42/153029042.db2.gz FXMVKBKNEPEQSY-PZDALLCQSA-N 1 2 325.343 2.336 20 30 EEEDLO C[C@H](O)C[N@@H+]1CCN(c2ccc(C#N)cc2Br)[C@H](C)C1 ZINC000248664944 160355744 /nfs/dbraw/zinc/35/57/44/160355744.db2.gz KXAPOUJWOFHEJX-NEPJUHHUSA-N 1 2 338.249 2.212 20 30 EEEDLO C[C@H](O)C[N@H+]1CCN(c2ccc(C#N)cc2Br)[C@H](C)C1 ZINC000248664944 160355746 /nfs/dbraw/zinc/35/57/46/160355746.db2.gz KXAPOUJWOFHEJX-NEPJUHHUSA-N 1 2 338.249 2.212 20 30 EEEDLO N#Cc1cc([N+](=O)[O-])cnc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000341914272 161023600 /nfs/dbraw/zinc/02/36/00/161023600.db2.gz HWWJAADZBYGHDK-UHFFFAOYSA-N 1 2 339.355 2.437 20 30 EEEDLO C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000355135050 163090720 /nfs/dbraw/zinc/09/07/20/163090720.db2.gz DGYBPBJQJIFGAH-HUUCEWRRSA-N 1 2 347.484 2.017 20 30 EEEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Cc1c(F)cccc1C#N ZINC000355341830 163153464 /nfs/dbraw/zinc/15/34/64/163153464.db2.gz KUVBFKBKGNETMV-UHFFFAOYSA-N 1 2 326.375 2.431 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000369860019 166345371 /nfs/dbraw/zinc/34/53/71/166345371.db2.gz BAYYDZMQWMQKCS-OAHLLOKOSA-N 1 2 346.394 2.107 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000122475729 222096519 /nfs/dbraw/zinc/09/65/19/222096519.db2.gz ULAWRJVKYBTJKT-QGZVFWFLSA-N 1 2 347.503 2.300 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2cncc(C)c2)C1 ZINC000971263925 676463645 /nfs/dbraw/zinc/46/36/45/676463645.db2.gz QQHVMJRQRLKYHR-AWEZNQCLSA-N 1 2 338.249 2.445 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2cncc(C)c2)C1 ZINC000971263925 676463647 /nfs/dbraw/zinc/46/36/47/676463647.db2.gz QQHVMJRQRLKYHR-AWEZNQCLSA-N 1 2 338.249 2.445 20 30 EEEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439431115 267187405 /nfs/dbraw/zinc/18/74/05/267187405.db2.gz LQIFQCMSBLXZCD-CQSZACIVSA-N 1 2 348.878 2.244 20 30 EEEDLO C[C@H]1CN(c2cc(C(F)(F)F)cnc2C#N)C[C@H]1[NH+]1CCOCC1 ZINC000334061691 267237375 /nfs/dbraw/zinc/23/73/75/267237375.db2.gz YUEASTFZWKGPKM-XHDPSFHLSA-N 1 2 340.349 2.129 20 30 EEEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000493234841 267258189 /nfs/dbraw/zinc/25/81/89/267258189.db2.gz PKJDLVFQCWFDDY-FPLPWBNLSA-N 1 2 333.355 2.007 20 30 EEEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000451930485 267259596 /nfs/dbraw/zinc/25/95/96/267259596.db2.gz JIPOUWOIDBYIKD-JTQLQIEISA-N 1 2 338.820 2.468 20 30 EEEDLO Cc1cc(NCc2cc(F)ccc2N2CCOCC2)c(C#N)c[nH+]1 ZINC000425227302 267951115 /nfs/dbraw/zinc/95/11/15/267951115.db2.gz IVOKSIKHDPGGFH-UHFFFAOYSA-N 1 2 326.375 2.271 20 30 EEEDLO N#Cc1ccc(CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000455537946 268228558 /nfs/dbraw/zinc/22/85/58/268228558.db2.gz JHNMVHPCVXJWQY-INIZCTEOSA-N 1 2 340.358 2.455 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286540720 268308421 /nfs/dbraw/zinc/30/84/21/268308421.db2.gz OFGAFRRXCUOXTH-QWRGUYRKSA-N 1 2 347.362 2.051 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286540720 268308424 /nfs/dbraw/zinc/30/84/24/268308424.db2.gz OFGAFRRXCUOXTH-QWRGUYRKSA-N 1 2 347.362 2.051 20 30 EEEDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C2CC2)O1 ZINC000279306302 269269620 /nfs/dbraw/zinc/26/96/20/269269620.db2.gz MRSVQQYHPDGYGR-BVGQSLNGSA-N 1 2 325.412 2.163 20 30 EEEDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C2CC2)O1 ZINC000279306302 269269621 /nfs/dbraw/zinc/26/96/21/269269621.db2.gz MRSVQQYHPDGYGR-BVGQSLNGSA-N 1 2 325.412 2.163 20 30 EEEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000185839593 294923078 /nfs/dbraw/zinc/92/30/78/294923078.db2.gz YZNVYJNJMPTPLQ-ZDUSSCGKSA-N 1 2 346.412 2.206 20 30 EEEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(COc3ccccc3C#N)n2)C1 ZINC000349849322 312309995 /nfs/dbraw/zinc/30/99/95/312309995.db2.gz JXQNWDITSURNQI-OAHLLOKOSA-N 1 2 328.372 2.302 20 30 EEEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(COc3ccccc3C#N)n2)C1 ZINC000349849322 312309997 /nfs/dbraw/zinc/30/99/97/312309997.db2.gz JXQNWDITSURNQI-OAHLLOKOSA-N 1 2 328.372 2.302 20 30 EEEDLO N#Cc1cc(C(=O)NCCCCn2cc[nH+]c2)cnc1C(F)(F)F ZINC000551095766 318458993 /nfs/dbraw/zinc/45/89/93/318458993.db2.gz QGQDCTDKMDURJI-UHFFFAOYSA-N 1 2 337.305 2.379 20 30 EEEDLO N#Cc1ccccc1CSCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000565836544 319219331 /nfs/dbraw/zinc/21/93/31/319219331.db2.gz QKPJTZYJLPMGFG-HNNXBMFYSA-N 1 2 340.452 2.367 20 30 EEEDLO Cn1nc(C2CC2)nc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000577369149 320251892 /nfs/dbraw/zinc/25/18/92/320251892.db2.gz XJNLFXNAGUAKTM-UHFFFAOYSA-N 1 2 325.416 2.213 20 30 EEEDLO Cn1nc(C2CC2)nc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000577369149 320251893 /nfs/dbraw/zinc/25/18/93/320251893.db2.gz XJNLFXNAGUAKTM-UHFFFAOYSA-N 1 2 325.416 2.213 20 30 EEEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000193255646 465028279 /nfs/dbraw/zinc/02/82/79/465028279.db2.gz VMJXTVYYQWMXEM-UHFFFAOYSA-N 1 2 348.406 2.424 20 30 EEEDLO Cc1nc(SCC(=O)N(C)Cc2[nH]cc[nH+]2)c(C#N)c(C)c1C ZINC000347515883 465069052 /nfs/dbraw/zinc/06/90/52/465069052.db2.gz KIYMCMSIITUOLV-UHFFFAOYSA-N 1 2 329.429 2.352 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc(F)cc3n[nH]nc31)CCC2 ZINC000328666015 465094355 /nfs/dbraw/zinc/09/43/55/465094355.db2.gz ZRMWEBTWEQPFQN-JTQLQIEISA-N 1 2 328.351 2.484 20 30 EEEDLO C[C@@H](C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1)[NH+]1CCOCC1 ZINC000328804234 465133958 /nfs/dbraw/zinc/13/39/58/465133958.db2.gz HGIFMKMXAHMDSQ-HOTGVXAUSA-N 1 2 345.443 2.234 20 30 EEEDLO C=CCOc1cccnc1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000341422835 465158026 /nfs/dbraw/zinc/15/80/26/465158026.db2.gz 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Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329013849 465202370 /nfs/dbraw/zinc/20/23/70/465202370.db2.gz FNGHQGXOGNCCMA-ZDUSSCGKSA-N 1 2 344.419 2.375 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000355219417 465235206 /nfs/dbraw/zinc/23/52/06/465235206.db2.gz SGCIIVSVNFFLSP-UHFFFAOYSA-N 1 2 347.503 2.302 20 30 EEEDLO CC#CCN(C)C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000297336663 465253099 /nfs/dbraw/zinc/25/30/99/465253099.db2.gz GXENNKRFDQKACS-SFHVURJKSA-N 1 2 329.444 2.033 20 30 EEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@@H]2CCCOC2)cc1 ZINC000329165799 465254501 /nfs/dbraw/zinc/25/45/01/465254501.db2.gz HOORYQGXODNNIJ-MSOLQXFVSA-N 1 2 347.459 2.051 20 30 EEEDLO COCC1(C#N)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000341987984 465281761 /nfs/dbraw/zinc/28/17/61/465281761.db2.gz JGKWPRIHURZGHH-UHFFFAOYSA-N 1 2 330.344 2.488 20 30 EEEDLO O=C(NC[C@H]1COc2ccccc2O1)C1([NH+]2CCOCC2)CCC1 ZINC000329292373 465290622 /nfs/dbraw/zinc/29/06/22/465290622.db2.gz IYUFZSMTEFEVEE-AWEZNQCLSA-N 1 2 332.400 2.038 20 30 EEEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000339498917 465307854 /nfs/dbraw/zinc/30/78/54/465307854.db2.gz USBAWTAWKCELGK-UHFFFAOYSA-N 1 2 344.459 2.058 20 30 EEEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000342362193 465313845 /nfs/dbraw/zinc/31/38/45/465313845.db2.gz BKDSRMHTHWLDQD-AWEZNQCLSA-N 1 2 329.400 2.136 20 30 EEEDLO C(#Cc1ccccc1)CNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000337515379 465409056 /nfs/dbraw/zinc/40/90/56/465409056.db2.gz LPHUMCQGHVDEHB-UHFFFAOYSA-N 1 2 327.351 2.069 20 30 EEEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@@H]1C[C@]12CCOC2 ZINC000329695338 465410037 /nfs/dbraw/zinc/41/00/37/465410037.db2.gz BJODJXYPHAWNNN-UGSOOPFHSA-N 1 2 342.399 2.414 20 30 EEEDLO Cc1ccc(C)c(NC(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000060481839 462552609 /nfs/dbraw/zinc/55/26/09/462552609.db2.gz HIXHIGCYDCADEL-UHFFFAOYSA-N 1 2 349.438 2.331 20 30 EEEDLO Cc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000153648522 462675473 /nfs/dbraw/zinc/67/54/73/462675473.db2.gz ORNVOGNICQSLOB-MRXNPFEDSA-N 1 2 328.416 2.195 20 30 EEEDLO CCOC(=O)C1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000006612665 462692977 /nfs/dbraw/zinc/69/29/77/462692977.db2.gz SHOUYNQQOLZBPU-UHFFFAOYSA-N 1 2 349.818 2.425 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000064401911 462701253 /nfs/dbraw/zinc/70/12/53/462701253.db2.gz LSTPGOUYSNXVQP-UHFFFAOYSA-N 1 2 347.469 2.227 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCN(c2nccs2)CC1 ZINC000064401911 462701257 /nfs/dbraw/zinc/70/12/57/462701257.db2.gz LSTPGOUYSNXVQP-UHFFFAOYSA-N 1 2 347.469 2.227 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000129410079 462705002 /nfs/dbraw/zinc/70/50/02/462705002.db2.gz JOHSVWVFYYUTRX-UHFFFAOYSA-N 1 2 327.306 2.368 20 30 EEEDLO C[N@@H+]1CCc2nc(NC(=O)CNc3ccc(C#N)cc3)sc2C1 ZINC000064722294 462717431 /nfs/dbraw/zinc/71/74/31/462717431.db2.gz IIWYKCQEROHQET-UHFFFAOYSA-N 1 2 327.413 2.053 20 30 EEEDLO C[N@H+]1CCc2nc(NC(=O)CNc3ccc(C#N)cc3)sc2C1 ZINC000064722294 462717438 /nfs/dbraw/zinc/71/74/38/462717438.db2.gz IIWYKCQEROHQET-UHFFFAOYSA-N 1 2 327.413 2.053 20 30 EEEDLO CC(C)[N@H+](CC(=O)NCC#N)Cc1nnc(-c2ccccc2Cl)o1 ZINC000154528393 462779292 /nfs/dbraw/zinc/77/92/92/462779292.db2.gz BESQTWKFXVUWLL-UHFFFAOYSA-N 1 2 347.806 2.240 20 30 EEEDLO CC(C)[N@@H+](CC(=O)NCC#N)Cc1nnc(-c2ccccc2Cl)o1 ZINC000154528393 462779295 /nfs/dbraw/zinc/77/92/95/462779295.db2.gz BESQTWKFXVUWLL-UHFFFAOYSA-N 1 2 347.806 2.240 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117758248 462812104 /nfs/dbraw/zinc/81/21/04/462812104.db2.gz VJAPXPAGGMBGFN-HOTGVXAUSA-N 1 2 346.450 2.344 20 30 EEEDLO Cn1cccc1[C@H]1COCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000131701552 462822925 /nfs/dbraw/zinc/82/29/25/462822925.db2.gz PITKAAAMIBMHJL-OAHLLOKOSA-N 1 2 344.440 2.360 20 30 EEEDLO Cn1cccc1[C@H]1COCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000131701552 462822929 /nfs/dbraw/zinc/82/29/29/462822929.db2.gz PITKAAAMIBMHJL-OAHLLOKOSA-N 1 2 344.440 2.360 20 30 EEEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000065958323 462844343 /nfs/dbraw/zinc/84/43/43/462844343.db2.gz LQYMHNVGUDXKJZ-UHFFFAOYSA-N 1 2 341.342 2.468 20 30 EEEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000065958323 462844347 /nfs/dbraw/zinc/84/43/47/462844347.db2.gz LQYMHNVGUDXKJZ-UHFFFAOYSA-N 1 2 341.342 2.468 20 30 EEEDLO COc1ccc(CN(C)C(=O)[C@H](C)[N@H+](C)C[C@@H](C)C#N)cc1OC ZINC000066469202 462892760 /nfs/dbraw/zinc/89/27/60/462892760.db2.gz PFURSWPVMRUXQW-KBPBESRZSA-N 1 2 333.432 2.142 20 30 EEEDLO COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C#N)cc1OC ZINC000066469202 462892765 /nfs/dbraw/zinc/89/27/65/462892765.db2.gz PFURSWPVMRUXQW-KBPBESRZSA-N 1 2 333.432 2.142 20 30 EEEDLO C[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)[C@@H](C)[NH+]1CCOCC1 ZINC000133002821 462893335 /nfs/dbraw/zinc/89/33/35/462893335.db2.gz MEGRPNBTBFPVLF-NUJGCVRESA-N 1 2 344.459 2.440 20 30 EEEDLO O=C(c1ccncc1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000156103023 462979838 /nfs/dbraw/zinc/97/98/38/462979838.db2.gz SYGDZBRNLNSMGH-UHFFFAOYSA-N 1 2 337.398 2.420 20 30 EEEDLO O=C(c1ccncc1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000156103023 462979842 /nfs/dbraw/zinc/97/98/42/462979842.db2.gz SYGDZBRNLNSMGH-UHFFFAOYSA-N 1 2 337.398 2.420 20 30 EEEDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000157143749 463102018 /nfs/dbraw/zinc/10/20/18/463102018.db2.gz PDKXACHTSIQQNK-SWLSCSKDSA-N 1 2 329.318 2.018 20 30 EEEDLO C[C@H]1CO[C@@H](CO)C[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000157143749 463102021 /nfs/dbraw/zinc/10/20/21/463102021.db2.gz PDKXACHTSIQQNK-SWLSCSKDSA-N 1 2 329.318 2.018 20 30 EEEDLO CC(C)C[C@@H](C)N(C)C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158191968 463214124 /nfs/dbraw/zinc/21/41/24/463214124.db2.gz NNJWJKCIVIRNSO-CYBMUJFWSA-N 1 2 333.432 2.151 20 30 EEEDLO C=CCNc1ncc(C(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000136054809 463215975 /nfs/dbraw/zinc/21/59/75/463215975.db2.gz IDEPJSYQYLZRRZ-UHFFFAOYSA-N 1 2 329.429 2.098 20 30 EEEDLO C=CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(OC)cc1 ZINC000054271895 463222860 /nfs/dbraw/zinc/22/28/60/463222860.db2.gz MVWCVMQFIVZHHZ-IBGZPJMESA-N 1 2 327.428 2.492 20 30 EEEDLO C=CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(OC)cc1 ZINC000054271895 463222864 /nfs/dbraw/zinc/22/28/64/463222864.db2.gz MVWCVMQFIVZHHZ-IBGZPJMESA-N 1 2 327.428 2.492 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000124184869 463396611 /nfs/dbraw/zinc/39/66/11/463396611.db2.gz NJCPGPZCIYWQPE-UHFFFAOYSA-N 1 2 343.471 2.259 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000124184869 463396613 /nfs/dbraw/zinc/39/66/13/463396613.db2.gz NJCPGPZCIYWQPE-UHFFFAOYSA-N 1 2 343.471 2.259 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[NH+]1CCC(C#N)CC1 ZINC000057877050 463526176 /nfs/dbraw/zinc/52/61/76/463526176.db2.gz ZMXSIMLCBOVMGX-AWEZNQCLSA-N 1 2 340.427 2.376 20 30 EEEDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(C#N)CC1 ZINC000057908038 463528862 /nfs/dbraw/zinc/52/88/62/463528862.db2.gz ZRWIVSRICYYSGX-NSHDSACASA-N 1 2 332.360 2.166 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000083169056 463537374 /nfs/dbraw/zinc/53/73/74/463537374.db2.gz OXFCXCSMNZRXNA-HOTGVXAUSA-N 1 2 340.383 2.343 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000083169056 463537378 /nfs/dbraw/zinc/53/73/78/463537378.db2.gz OXFCXCSMNZRXNA-HOTGVXAUSA-N 1 2 340.383 2.343 20 30 EEEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)Nc3cc(C#N)ccc3C)C2)CC1 ZINC000106943514 463552873 /nfs/dbraw/zinc/55/28/73/463552873.db2.gz CDKWSPOZEWJOCD-KRWDZBQOSA-N 1 2 341.459 2.110 20 30 EEEDLO C[C@H](C#N)CN(C)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000083751659 463561618 /nfs/dbraw/zinc/56/16/18/463561618.db2.gz CWWMNDDXHAAJSK-OAHLLOKOSA-N 1 2 325.416 2.427 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152284281 463670962 /nfs/dbraw/zinc/67/09/62/463670962.db2.gz BMNUNYFLWDTZBC-OAHLLOKOSA-N 1 2 329.448 2.062 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152284281 463670965 /nfs/dbraw/zinc/67/09/65/463670965.db2.gz BMNUNYFLWDTZBC-OAHLLOKOSA-N 1 2 329.448 2.062 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(CC#N)cc1 ZINC000286883631 463733073 /nfs/dbraw/zinc/73/30/73/463733073.db2.gz CNHMCCRQWICJCF-PBHICJAKSA-N 1 2 328.416 2.080 20 30 EEEDLO COc1ccccc1C[NH+]1CCN(C(=O)NCCCCC#N)CC1 ZINC000171448372 463865450 /nfs/dbraw/zinc/86/54/50/463865450.db2.gz RAAJHYCBDJGODQ-UHFFFAOYSA-N 1 2 330.432 2.216 20 30 EEEDLO Cn1c[nH+]cc1CC(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000185898448 463902333 /nfs/dbraw/zinc/90/23/33/463902333.db2.gz FBMRRBIIGCGVOB-CYBMUJFWSA-N 1 2 333.189 2.106 20 30 EEEDLO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292241062 464169971 /nfs/dbraw/zinc/16/99/71/464169971.db2.gz QFWPYKGGMJHLFM-SJLPKXTDSA-N 1 2 337.379 2.321 20 30 EEEDLO COC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292241062 464169972 /nfs/dbraw/zinc/16/99/72/464169972.db2.gz QFWPYKGGMJHLFM-SJLPKXTDSA-N 1 2 337.379 2.321 20 30 EEEDLO CCOC(=O)C[N@H+](CC)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179972289 464217437 /nfs/dbraw/zinc/21/74/37/464217437.db2.gz ZPMRJDWXYLNBOE-UHFFFAOYSA-N 1 2 326.400 2.344 20 30 EEEDLO CCOC(=O)C[N@@H+](CC)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179972289 464217442 /nfs/dbraw/zinc/21/74/42/464217442.db2.gz ZPMRJDWXYLNBOE-UHFFFAOYSA-N 1 2 326.400 2.344 20 30 EEEDLO COC(=O)c1ccccc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000179985676 464218789 /nfs/dbraw/zinc/21/87/89/464218789.db2.gz RBWQYWFHTHSFQM-UHFFFAOYSA-N 1 2 336.395 2.062 20 30 EEEDLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284589302 464254129 /nfs/dbraw/zinc/25/41/29/464254129.db2.gz XUQWSOLUJSUUFY-SMDDNHRTSA-N 1 2 339.823 2.327 20 30 EEEDLO N#Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1O ZINC000188364769 464264033 /nfs/dbraw/zinc/26/40/33/464264033.db2.gz 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CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000245525460 464490781 /nfs/dbraw/zinc/49/07/81/464490781.db2.gz VONIXYCHOKKVIB-UZLBHIALSA-N 1 2 341.455 2.168 20 30 EEEDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000272347464 464574193 /nfs/dbraw/zinc/57/41/93/464574193.db2.gz CPXVKKNGGCNUBO-GOSISDBHSA-N 1 2 342.374 2.046 20 30 EEEDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000272347464 464574198 /nfs/dbraw/zinc/57/41/98/464574198.db2.gz CPXVKKNGGCNUBO-GOSISDBHSA-N 1 2 342.374 2.046 20 30 EEEDLO CC#CCNC(=O)C(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000190499601 464660974 /nfs/dbraw/zinc/66/09/74/464660974.db2.gz BTODCPWBSKCDOF-UHFFFAOYSA-N 1 2 346.390 2.388 20 30 EEEDLO C[C@H]1CCN(S(=O)(=O)c2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000247541886 464692777 /nfs/dbraw/zinc/69/27/77/464692777.db2.gz KBAOUAQOTKSRKO-XJKSGUPXSA-N 1 2 330.413 2.027 20 30 EEEDLO C#CC[N@@H+](CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)C1CC1 ZINC000274238609 464738576 /nfs/dbraw/zinc/73/85/76/464738576.db2.gz XOVHEIWVRLUYQR-CQSZACIVSA-N 1 2 330.428 2.287 20 30 EEEDLO C#CC[N@H+](CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)C1CC1 ZINC000274238609 464738583 /nfs/dbraw/zinc/73/85/83/464738583.db2.gz XOVHEIWVRLUYQR-CQSZACIVSA-N 1 2 330.428 2.287 20 30 EEEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ncccc1OCCCC#N ZINC000276108035 464811055 /nfs/dbraw/zinc/81/10/55/464811055.db2.gz TYRNXZCTAWNDRZ-UHFFFAOYSA-N 1 2 328.376 2.162 20 30 EEEDLO N#Cc1cc(NCc2ccccc2OCC[NH+]2CCOCC2)ccn1 ZINC000286208314 464839684 /nfs/dbraw/zinc/83/96/84/464839684.db2.gz KRVPFWKCVIBEKE-UHFFFAOYSA-N 1 2 338.411 2.276 20 30 EEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1nc(C(F)(F)F)ccc1C#N ZINC000286217377 464843729 /nfs/dbraw/zinc/84/37/29/464843729.db2.gz CUBKAIFYDPJVJA-AAEUAGOBSA-N 1 2 340.349 2.271 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCOCC34CCC4)C2=O)cc1 ZINC000192695990 464979060 /nfs/dbraw/zinc/97/90/60/464979060.db2.gz SGEGLHPXOMPWPB-KRWDZBQOSA-N 1 2 325.412 2.309 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCOCC34CCC4)C2=O)cc1 ZINC000192695990 464979062 /nfs/dbraw/zinc/97/90/62/464979062.db2.gz SGEGLHPXOMPWPB-KRWDZBQOSA-N 1 2 325.412 2.309 20 30 EEEDLO O=C(NCc1cn2ccccc2[nH+]1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000329436337 465333457 /nfs/dbraw/zinc/33/34/57/465333457.db2.gz JVHOTVOEQXDJKY-CYBMUJFWSA-N 1 2 333.413 2.006 20 30 EEEDLO C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000329454395 465338316 /nfs/dbraw/zinc/33/83/16/465338316.db2.gz PONPDZKSVKUHAY-FRRDWIJNSA-N 1 2 337.386 2.189 20 30 EEEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@H]2CCCCS2)CC1 ZINC000329586798 465378083 /nfs/dbraw/zinc/37/80/83/465378083.db2.gz WYGLVFKCDUAHPX-GFCCVEGCSA-N 1 2 328.482 2.118 20 30 EEEDLO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2nc(C)no2)c(OC)c1 ZINC000348076832 465407917 /nfs/dbraw/zinc/40/79/17/465407917.db2.gz KGYSYUAXVDKTME-WFASDCNBSA-N 1 2 347.415 2.206 20 30 EEEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000356482428 465410296 /nfs/dbraw/zinc/41/02/96/465410296.db2.gz UXAPPROCHFTSLP-BBRMVZONSA-N 1 2 344.459 2.228 20 30 EEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000356482428 465410302 /nfs/dbraw/zinc/41/03/02/465410302.db2.gz UXAPPROCHFTSLP-BBRMVZONSA-N 1 2 344.459 2.228 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000352314403 465514997 /nfs/dbraw/zinc/51/49/97/465514997.db2.gz JSYDBWWMXLCVEI-HRCADAONSA-N 1 2 332.448 2.154 20 30 EEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@]2(CCCOC2)O1 ZINC000330097252 465532504 /nfs/dbraw/zinc/53/25/04/465532504.db2.gz ANZLUZLVBZKLEN-ACJLOTCBSA-N 1 2 348.399 2.273 20 30 EEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@]2(CCCOC2)O1 ZINC000330097252 465532507 /nfs/dbraw/zinc/53/25/07/465532507.db2.gz ANZLUZLVBZKLEN-ACJLOTCBSA-N 1 2 348.399 2.273 20 30 EEEDLO CC[C@H](C)NC(=O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348305377 465541541 /nfs/dbraw/zinc/54/15/41/465541541.db2.gz JXLYJWKFOSEFGC-YOEHRIQHSA-N 1 2 348.878 2.437 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621940 465543091 /nfs/dbraw/zinc/54/30/91/465543091.db2.gz VLORNFLFLGPQBA-CQSZACIVSA-N 1 2 345.399 2.378 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621940 465543095 /nfs/dbraw/zinc/54/30/95/465543095.db2.gz VLORNFLFLGPQBA-CQSZACIVSA-N 1 2 345.399 2.378 20 30 EEEDLO C[C@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1nnc2n1CCCC2 ZINC000330135232 465544844 /nfs/dbraw/zinc/54/48/44/465544844.db2.gz MSWABGPWKGEWPT-LBPRGKRZSA-N 1 2 343.435 2.192 20 30 EEEDLO C[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1nnc2n1CCCC2 ZINC000330135232 465544848 /nfs/dbraw/zinc/54/48/48/465544848.db2.gz MSWABGPWKGEWPT-LBPRGKRZSA-N 1 2 343.435 2.192 20 30 EEEDLO C[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1nnc2n1CCCC2 ZINC000330152831 465551851 /nfs/dbraw/zinc/55/18/51/465551851.db2.gz WXMZIMVCHXPAGX-STQMWFEESA-N 1 2 343.435 2.192 20 30 EEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348333413 465555022 /nfs/dbraw/zinc/55/50/22/465555022.db2.gz YTTXDQLAWPABIE-WMLDXEAASA-N 1 2 346.862 2.213 20 30 EEEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NC(=O)NC(C)C ZINC000352914832 465568936 /nfs/dbraw/zinc/56/89/36/465568936.db2.gz MNYCYTAJZZYGBV-OAHLLOKOSA-N 1 2 349.479 2.465 20 30 EEEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NC(=O)NC(C)C ZINC000352914832 465568943 /nfs/dbraw/zinc/56/89/43/465568943.db2.gz MNYCYTAJZZYGBV-OAHLLOKOSA-N 1 2 349.479 2.465 20 30 EEEDLO CC(C)CCn1cc(C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)nn1 ZINC000330334689 465618509 /nfs/dbraw/zinc/61/85/09/465618509.db2.gz QVJRALGVVYFLHX-CJNGLKHVSA-N 1 2 346.435 2.283 20 30 EEEDLO CC[N@H+](C[C@@H](O)COc1ccc(C(C)=O)cc1OC)C[C@H](C)C#N ZINC000353330736 465803929 /nfs/dbraw/zinc/80/39/29/465803929.db2.gz OWAXXNYKGIKQQC-CZUORRHYSA-N 1 2 334.416 2.119 20 30 EEEDLO CC[N@@H+](C[C@@H](O)COc1ccc(C(C)=O)cc1OC)C[C@H](C)C#N ZINC000353330736 465803933 /nfs/dbraw/zinc/80/39/33/465803933.db2.gz OWAXXNYKGIKQQC-CZUORRHYSA-N 1 2 334.416 2.119 20 30 EEEDLO CC[N@@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)C[C@H](C)C#N ZINC000353338946 465810218 /nfs/dbraw/zinc/81/02/18/465810218.db2.gz WWERPEHDKQBYFR-RHSMWYFYSA-N 1 2 333.407 2.207 20 30 EEEDLO CC[N@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)C[C@H](C)C#N ZINC000353338946 465810226 /nfs/dbraw/zinc/81/02/26/465810226.db2.gz WWERPEHDKQBYFR-RHSMWYFYSA-N 1 2 333.407 2.207 20 30 EEEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc(SCC#N)c1 ZINC000345437384 465866812 /nfs/dbraw/zinc/86/68/12/465866812.db2.gz WNKWGCLDNKTUCZ-AWEZNQCLSA-N 1 2 333.457 2.095 20 30 EEEDLO Cc1csc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1Cl ZINC000331074680 465922417 /nfs/dbraw/zinc/92/24/17/465922417.db2.gz GVIIVBGKAYNJOQ-CQSZACIVSA-N 1 2 332.853 2.098 20 30 EEEDLO CC[C@H]1C[N@H+](CCNc2nc(C(F)(F)F)ccc2C#N)CCO1 ZINC000362681322 465935543 /nfs/dbraw/zinc/93/55/43/465935543.db2.gz ODUZTGJDEIRWJB-LBPRGKRZSA-N 1 2 328.338 2.495 20 30 EEEDLO CC[C@H]1C[N@@H+](CCNc2nc(C(F)(F)F)ccc2C#N)CCO1 ZINC000362681322 465935549 /nfs/dbraw/zinc/93/55/49/465935549.db2.gz ODUZTGJDEIRWJB-LBPRGKRZSA-N 1 2 328.338 2.495 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000366931358 466023578 /nfs/dbraw/zinc/02/35/78/466023578.db2.gz DPJLGKVTXQJWDS-KYHPRHEASA-N 1 2 329.444 2.251 20 30 EEEDLO CCOc1ccc(OCCCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000555483209 468478837 /nfs/dbraw/zinc/47/88/37/468478837.db2.gz YRWJFKYQYYDMRW-SFHVURJKSA-N 1 2 333.432 2.204 20 30 EEEDLO C=CCOc1cccnc1-c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000349853209 466273148 /nfs/dbraw/zinc/27/31/48/466273148.db2.gz RBZVUBPBOIHNGE-CQSZACIVSA-N 1 2 330.388 2.478 20 30 EEEDLO C=CCOc1cccnc1-c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000349853209 466273151 /nfs/dbraw/zinc/27/31/51/466273151.db2.gz RBZVUBPBOIHNGE-CQSZACIVSA-N 1 2 330.388 2.478 20 30 EEEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)CCCC#N)CCCC2)no1 ZINC000361883480 466376437 /nfs/dbraw/zinc/37/64/37/466376437.db2.gz CSFQMHHIOPMNKA-UHFFFAOYSA-N 1 2 333.436 2.491 20 30 EEEDLO N#Cc1ccncc1N1CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000555650411 468488896 /nfs/dbraw/zinc/48/88/96/468488896.db2.gz GFTMFUXPNAYJCP-SFHVURJKSA-N 1 2 347.422 2.029 20 30 EEEDLO C=CC[N@H+](CCOC)CCN1c2cccc3cccc(c23)S1(=O)=O ZINC000361998013 466471397 /nfs/dbraw/zinc/47/13/97/466471397.db2.gz ZSCOGCFZRALNHU-UHFFFAOYSA-N 1 2 346.452 2.483 20 30 EEEDLO C=CC[N@@H+](CCOC)CCN1c2cccc3cccc(c23)S1(=O)=O ZINC000361998013 466471400 /nfs/dbraw/zinc/47/14/00/466471400.db2.gz ZSCOGCFZRALNHU-UHFFFAOYSA-N 1 2 346.452 2.483 20 30 EEEDLO C[C@H](C#N)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000416440432 466734586 /nfs/dbraw/zinc/73/45/86/466734586.db2.gz OVJILXVEXZLCBU-BIGNPOOSSA-N 1 2 345.827 2.056 20 30 EEEDLO C[C@H](C#N)S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000416440432 466734587 /nfs/dbraw/zinc/73/45/87/466734587.db2.gz OVJILXVEXZLCBU-BIGNPOOSSA-N 1 2 345.827 2.056 20 30 EEEDLO CSC[C@](C)(C#N)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000410863337 466753083 /nfs/dbraw/zinc/75/30/83/466753083.db2.gz PCYBQAQWTJQGJF-HNNXBMFYSA-N 1 2 345.384 2.156 20 30 EEEDLO CC(C)c1nc(C2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)no1 ZINC000370772499 467000496 /nfs/dbraw/zinc/00/04/96/467000496.db2.gz JCDMEUVRPAPOMR-GOSISDBHSA-N 1 2 345.447 2.181 20 30 EEEDLO COc1ccc(CCNc2cc(C)[nH+]cc2C#N)c(OC)c1OC ZINC000425223417 467089395 /nfs/dbraw/zinc/08/93/95/467089395.db2.gz JYBCXWVUPQKBOC-UHFFFAOYSA-N 1 2 327.384 2.364 20 30 EEEDLO Cc1cc(N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)c(C#N)c[nH+]1 ZINC000425271992 467091069 /nfs/dbraw/zinc/09/10/69/467091069.db2.gz WDDUSQGVGXPHRT-IKGGRYGDSA-N 1 2 325.416 2.489 20 30 EEEDLO CCN1CCN(C(=O)c2c(F)cc(C#N)cc2F)C[C@H]1c1[nH]cc[nH+]1 ZINC000433108947 467293291 /nfs/dbraw/zinc/29/32/91/467293291.db2.gz IWRPRKYCXJMNAG-AWEZNQCLSA-N 1 2 345.353 2.079 20 30 EEEDLO CCN1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000433115319 467294718 /nfs/dbraw/zinc/29/47/18/467294718.db2.gz PCVSXOPSGDWCPJ-KRWDZBQOSA-N 1 2 349.438 2.218 20 30 EEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429712264 467360410 /nfs/dbraw/zinc/36/04/10/467360410.db2.gz BCERBIFVHFHDEU-OAHLLOKOSA-N 1 2 348.410 2.479 20 30 EEEDLO CC(C)c1ncc(C[N@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cn1 ZINC000440456692 467569794 /nfs/dbraw/zinc/56/97/94/467569794.db2.gz CQJBRYHCRSTQOE-KBXCAEBGSA-N 1 2 331.464 2.475 20 30 EEEDLO CC(C)c1ncc(C[N@@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cn1 ZINC000440456692 467569795 /nfs/dbraw/zinc/56/97/95/467569795.db2.gz CQJBRYHCRSTQOE-KBXCAEBGSA-N 1 2 331.464 2.475 20 30 EEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)c2cccc(C#N)c2)C1 ZINC000442829217 467578167 /nfs/dbraw/zinc/57/81/67/467578167.db2.gz UDYODOOIJVQPIP-IBGZPJMESA-N 1 2 343.427 2.094 20 30 EEEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@]3(C#N)C[C@@H]3C)CC2)c1 ZINC000448916561 467605634 /nfs/dbraw/zinc/60/56/34/467605634.db2.gz YBZHKQQPPZTHPA-YZVOILCLSA-N 1 2 327.428 2.450 20 30 EEEDLO C[C@H]1c2cccn2CC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528345303 467680826 /nfs/dbraw/zinc/68/08/26/467680826.db2.gz OMOWJZWHNFMLHZ-HNNXBMFYSA-N 1 2 333.391 2.164 20 30 EEEDLO C[C@H]1c2cccn2CC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528345303 467680827 /nfs/dbraw/zinc/68/08/27/467680827.db2.gz OMOWJZWHNFMLHZ-HNNXBMFYSA-N 1 2 333.391 2.164 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000457476263 467832560 /nfs/dbraw/zinc/83/25/60/467832560.db2.gz VVUVJSHTDRCSFQ-OAHLLOKOSA-N 1 2 330.432 2.361 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](C[C@@H](C#N)CCC#N)CCCO1 ZINC000497105730 467837422 /nfs/dbraw/zinc/83/74/22/467837422.db2.gz HWGQKJSGKBFCQH-CABCVRRESA-N 1 2 336.436 2.046 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CCCO1 ZINC000497105730 467837424 /nfs/dbraw/zinc/83/74/24/467837424.db2.gz HWGQKJSGKBFCQH-CABCVRRESA-N 1 2 336.436 2.046 20 30 EEEDLO C=CC[N@@H+](Cc1ncnn1CC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000487913597 468059888 /nfs/dbraw/zinc/05/98/88/468059888.db2.gz HWIVZRKZZRVJGZ-AWEZNQCLSA-N 1 2 338.419 2.023 20 30 EEEDLO C=CC[N@H+](Cc1ncnn1CC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000487913597 468059889 /nfs/dbraw/zinc/05/98/89/468059889.db2.gz HWIVZRKZZRVJGZ-AWEZNQCLSA-N 1 2 338.419 2.023 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000488394099 468084884 /nfs/dbraw/zinc/08/48/84/468084884.db2.gz GTKCMSAFOKQXOK-LJQANCHMSA-N 1 2 339.439 2.477 20 30 EEEDLO COc1ccc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)cc1C#N ZINC000488711883 468098330 /nfs/dbraw/zinc/09/83/30/468098330.db2.gz JBODIXVAMBYUIM-KRWDZBQOSA-N 1 2 342.443 2.145 20 30 EEEDLO COc1ccc(C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)cc1C#N ZINC000488711883 468098331 /nfs/dbraw/zinc/09/83/31/468098331.db2.gz JBODIXVAMBYUIM-KRWDZBQOSA-N 1 2 342.443 2.145 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ncc(C#N)cn3)CC[C@@H]21 ZINC000495891745 468106747 /nfs/dbraw/zinc/10/67/47/468106747.db2.gz KWHJJLPAGUUKRN-GJZGRUSLSA-N 1 2 343.431 2.180 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C#N)cn3)CC[C@@H]21 ZINC000495891745 468106748 /nfs/dbraw/zinc/10/67/48/468106748.db2.gz KWHJJLPAGUUKRN-GJZGRUSLSA-N 1 2 343.431 2.180 20 30 EEEDLO N#Cc1cnn2cc(C[N@H+]3CCC[C@@H](OCC(F)(F)F)C3)cnc12 ZINC000550105384 468206802 /nfs/dbraw/zinc/20/68/02/468206802.db2.gz CJZHWXFPSIUWEE-CYBMUJFWSA-N 1 2 339.321 2.144 20 30 EEEDLO N#Cc1cnn2cc(C[N@@H+]3CCC[C@@H](OCC(F)(F)F)C3)cnc12 ZINC000550105384 468206806 /nfs/dbraw/zinc/20/68/06/468206806.db2.gz CJZHWXFPSIUWEE-CYBMUJFWSA-N 1 2 339.321 2.144 20 30 EEEDLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146209 468637306 /nfs/dbraw/zinc/63/73/06/468637306.db2.gz FYDHZGVZCVPDTI-BONVTDFDSA-N 1 2 325.771 2.157 20 30 EEEDLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146209 468637310 /nfs/dbraw/zinc/63/73/10/468637310.db2.gz FYDHZGVZCVPDTI-BONVTDFDSA-N 1 2 325.771 2.157 20 30 EEEDLO COc1ccc(-c2noc([C@@H](C)[N@@H+]3CC[C@@](O)(CC#N)C3)n2)cc1 ZINC000592149146 468638424 /nfs/dbraw/zinc/63/84/24/468638424.db2.gz JOCVFYGYKJRKIE-PXAZEXFGSA-N 1 2 328.372 2.157 20 30 EEEDLO COc1ccc(-c2noc([C@@H](C)[N@H+]3CC[C@@](O)(CC#N)C3)n2)cc1 ZINC000592149146 468638426 /nfs/dbraw/zinc/63/84/26/468638426.db2.gz JOCVFYGYKJRKIE-PXAZEXFGSA-N 1 2 328.372 2.157 20 30 EEEDLO C[C@@H](C#N)N(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000598125476 468772977 /nfs/dbraw/zinc/77/29/77/468772977.db2.gz KZTJFDPWTWIYEW-NSHDSACASA-N 1 2 325.328 2.297 20 30 EEEDLO N#Cc1ccccc1N1CC[NH+]([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1 ZINC000595301098 468805038 /nfs/dbraw/zinc/80/50/38/468805038.db2.gz IMKNTHUUPVJHGR-SZVBFZGTSA-N 1 2 338.455 2.128 20 30 EEEDLO Cc1cc(C)c2ncc(C#N)c(NCC3([NH+]4CCOCC4)CC3)c2c1 ZINC000584150673 468806207 /nfs/dbraw/zinc/80/62/07/468806207.db2.gz XKLWAXJDZOVDOG-UHFFFAOYSA-N 1 2 336.439 2.422 20 30 EEEDLO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598460179 468873357 /nfs/dbraw/zinc/87/33/57/468873357.db2.gz RPMHEALPYWBUMF-ZDUSSCGKSA-N 1 2 342.399 2.337 20 30 EEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000572494255 468941615 /nfs/dbraw/zinc/94/16/15/468941615.db2.gz OYLFQSKTKPQIJT-ZDUSSCGKSA-N 1 2 343.349 2.482 20 30 EEEDLO CC[C@@H]([NH2+]CC(=O)N(CC)C[C@@H](C)C#N)c1nnc2n1CCCCC2 ZINC000595798976 469017166 /nfs/dbraw/zinc/01/71/66/469017166.db2.gz BEBOWJDWESMMRH-LSDHHAIUSA-N 1 2 346.479 2.053 20 30 EEEDLO CN(C)c1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc(C(F)(F)F)c1 ZINC000598836156 469019026 /nfs/dbraw/zinc/01/90/26/469019026.db2.gz BKPKTXPCAYPTKF-HNNXBMFYSA-N 1 2 342.365 2.345 20 30 EEEDLO CN(C(=O)C[N@@H+]1CCO[C@H](C(F)F)CC1)C1(C#N)CCCCC1 ZINC000601978041 469124534 /nfs/dbraw/zinc/12/45/34/469124534.db2.gz WROVDHRZVSHFKU-ZDUSSCGKSA-N 1 2 329.391 2.027 20 30 EEEDLO CN(C(=O)C[N@H+]1CCO[C@H](C(F)F)CC1)C1(C#N)CCCCC1 ZINC000601978041 469124537 /nfs/dbraw/zinc/12/45/37/469124537.db2.gz WROVDHRZVSHFKU-ZDUSSCGKSA-N 1 2 329.391 2.027 20 30 EEEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000602863770 469127566 /nfs/dbraw/zinc/12/75/66/469127566.db2.gz PQCOZHHAIHSVKE-LLVKDONJSA-N 1 2 329.322 2.092 20 30 EEEDLO N#CC1(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CCC1 ZINC000573430450 469130155 /nfs/dbraw/zinc/13/01/55/469130155.db2.gz YGMJLPWKNUAIOW-QGZVFWFLSA-N 1 2 342.443 2.053 20 30 EEEDLO COc1ccc(C#N)cc1C[NH2+][C@H](c1nccn1C)C(C)(C)CO ZINC000602884986 469143228 /nfs/dbraw/zinc/14/32/28/469143228.db2.gz XTTJTPOAHJWTCG-MRXNPFEDSA-N 1 2 328.416 2.150 20 30 EEEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000611028593 469143732 /nfs/dbraw/zinc/14/37/32/469143732.db2.gz PBNOEQZGNHUOPQ-UHFFFAOYSA-N 1 2 338.411 2.161 20 30 EEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000603024038 469228054 /nfs/dbraw/zinc/22/80/54/469228054.db2.gz FAOPBCLOOCFXDG-CYBMUJFWSA-N 1 2 341.436 2.325 20 30 EEEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000603024038 469228057 /nfs/dbraw/zinc/22/80/57/469228057.db2.gz FAOPBCLOOCFXDG-CYBMUJFWSA-N 1 2 341.436 2.325 20 30 EEEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000619367362 469591552 /nfs/dbraw/zinc/59/15/52/469591552.db2.gz YLIMRECFKLSTSY-MSOLQXFVSA-N 1 2 333.395 2.301 20 30 EEEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000619715934 469669044 /nfs/dbraw/zinc/66/90/44/469669044.db2.gz BSFDDQKPZQBIQG-HNNXBMFYSA-N 1 2 338.835 2.064 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000609112546 469891553 /nfs/dbraw/zinc/89/15/53/469891553.db2.gz KUUATIPSBJCOIJ-SFHVURJKSA-N 1 2 337.427 2.320 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000609485599 469931554 /nfs/dbraw/zinc/93/15/54/469931554.db2.gz SYKHIBOEOPRANC-VQIMIIECSA-N 1 2 340.471 2.130 20 30 EEEDLO C[C@@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000610354056 470007270 /nfs/dbraw/zinc/00/72/70/470007270.db2.gz OVVHWRDXWNPZON-QLFBSQMISA-N 1 2 330.432 2.028 20 30 EEEDLO C=CCn1c(C)cc(C(=O)Cn2cc(C[NH+]3CCCC3)nn2)c1C ZINC000640799221 471034217 /nfs/dbraw/zinc/03/42/17/471034217.db2.gz ADGMTUSNTXZCKC-UHFFFAOYSA-N 1 2 327.432 2.361 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)nn1 ZINC000657441663 471137673 /nfs/dbraw/zinc/13/76/73/471137673.db2.gz FMNRWTTUWZDIFO-QGZVFWFLSA-N 1 2 331.464 2.268 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1CC[C@@H]2CCC[C@@H]21 ZINC000669011065 471347755 /nfs/dbraw/zinc/34/77/55/471347755.db2.gz IOYXSJLHMZVZMW-VGWMRTNUSA-N 1 2 331.464 2.235 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1CC[C@@H]2CCC[C@@H]21 ZINC000669011065 471347757 /nfs/dbraw/zinc/34/77/57/471347757.db2.gz IOYXSJLHMZVZMW-VGWMRTNUSA-N 1 2 331.464 2.235 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1C[C@H]2CCC[C@@H]2C1 ZINC000669015005 471349288 /nfs/dbraw/zinc/34/92/88/471349288.db2.gz XCMKJTDDJHGDNF-JJXSEGSLSA-N 1 2 331.464 2.092 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1C[C@H]2CCC[C@@H]2C1 ZINC000669015005 471349292 /nfs/dbraw/zinc/34/92/92/471349292.db2.gz XCMKJTDDJHGDNF-JJXSEGSLSA-N 1 2 331.464 2.092 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)nn1 ZINC000653597883 471680338 /nfs/dbraw/zinc/68/03/38/471680338.db2.gz CUQGWDDDXLPPLN-LJQANCHMSA-N 1 2 341.459 2.017 20 30 EEEDLO C=C[C@H](CO)[NH2+]Cc1nc(-c2ccc(Br)s2)no1 ZINC000662165894 472017679 /nfs/dbraw/zinc/01/76/79/472017679.db2.gz VMTXTKKBDQDTIK-SSDOTTSWSA-N 1 2 330.207 2.197 20 30 EEEDLO C=CCC1(CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)CCCC1 ZINC000456489589 534598203 /nfs/dbraw/zinc/59/82/03/534598203.db2.gz UTYWODNNFSLOJJ-UHFFFAOYSA-N 1 2 342.487 2.456 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CCOC2)C1 ZINC001027343075 687580826 /nfs/dbraw/zinc/58/08/26/687580826.db2.gz PEGYAYHSRJVUQG-KBPBESRZSA-N 1 2 345.281 2.244 20 30 EEEDLO N#Cc1cc(NCc2ccc[nH+]c2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000157651068 534778270 /nfs/dbraw/zinc/77/82/70/534778270.db2.gz SNDVEQFXFJCILD-UHFFFAOYSA-N 1 2 339.355 2.310 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000115604661 526542539 /nfs/dbraw/zinc/54/25/39/526542539.db2.gz NEMVQHOTOISEMS-CABCVRRESA-N 1 2 342.447 2.126 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000173783297 527112437 /nfs/dbraw/zinc/11/24/37/527112437.db2.gz NRQHDJNBWCHURH-ZIAGYGMSSA-N 1 2 349.406 2.068 20 30 EEEDLO C=CC[C@H](CC)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000356376761 527159404 /nfs/dbraw/zinc/15/94/04/527159404.db2.gz PNQPLILZZPEVTL-DOTOQJQBSA-N 1 2 346.475 2.488 20 30 EEEDLO C=CC[C@H](CC)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000356376761 527159407 /nfs/dbraw/zinc/15/94/07/527159407.db2.gz PNQPLILZZPEVTL-DOTOQJQBSA-N 1 2 346.475 2.488 20 30 EEEDLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000153994622 528863346 /nfs/dbraw/zinc/86/33/46/528863346.db2.gz ICZZUPCUTBGGEB-MRXNPFEDSA-N 1 2 348.443 2.350 20 30 EEEDLO CC(C)[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000153994622 528863351 /nfs/dbraw/zinc/86/33/51/528863351.db2.gz ICZZUPCUTBGGEB-MRXNPFEDSA-N 1 2 348.443 2.350 20 30 EEEDLO CC1(C)CN(S(=O)(=O)CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000111340874 529126444 /nfs/dbraw/zinc/12/64/44/529126444.db2.gz ZBLLBKMURYCZAV-UHFFFAOYSA-N 1 2 335.473 2.216 20 30 EEEDLO CC1(C)CN(S(=O)(=O)CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000111340874 529126445 /nfs/dbraw/zinc/12/64/45/529126445.db2.gz ZBLLBKMURYCZAV-UHFFFAOYSA-N 1 2 335.473 2.216 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCO2)C1 ZINC001027368933 687734552 /nfs/dbraw/zinc/73/45/52/687734552.db2.gz UFCAIGFJTMKHRQ-KGLIPLIRSA-N 1 2 345.281 2.387 20 30 EEEDLO C=CC[N@@H+](CN1C(=O)N[C@@](CC)(c2ccc(OC)cc2)C1=O)C1CC1 ZINC000771639358 577223086 /nfs/dbraw/zinc/22/30/86/577223086.db2.gz HTLUFXQGHYQENQ-IBGZPJMESA-N 1 2 343.427 2.460 20 30 EEEDLO C=CC[N@H+](CN1C(=O)N[C@@](CC)(c2ccc(OC)cc2)C1=O)C1CC1 ZINC000771639358 577223087 /nfs/dbraw/zinc/22/30/87/577223087.db2.gz HTLUFXQGHYQENQ-IBGZPJMESA-N 1 2 343.427 2.460 20 30 EEEDLO NS(=O)(=O)c1ccccc1N[NH+]=C1CCCNc2ccccc21 ZINC000773093964 577315356 /nfs/dbraw/zinc/31/53/56/577315356.db2.gz JAIUIPVXISYSRN-UHFFFAOYSA-N 1 2 330.413 2.356 20 30 EEEDLO Cn1c2ccccc2nc1[C@@H]([NH2+]CC(=O)NCCC#N)c1ccccc1 ZINC000775763410 577445055 /nfs/dbraw/zinc/44/50/55/577445055.db2.gz WVWRWFWPSCWIJU-IBGZPJMESA-N 1 2 347.422 2.282 20 30 EEEDLO CC(C)(C)NS(=O)(=O)c1ccccc1N[NH+]=Cc1cccnc1N ZINC000764683725 577486643 /nfs/dbraw/zinc/48/66/43/577486643.db2.gz UEBZJZJXYNLBRJ-UHFFFAOYSA-N 1 2 347.444 2.187 20 30 EEEDLO N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000765856701 577508264 /nfs/dbraw/zinc/50/82/64/577508264.db2.gz YRFURJXCRUIYCK-GOSISDBHSA-N 1 2 345.406 2.357 20 30 EEEDLO CCN(CC)c1ncc(C=[NH+][N-]c2ccc(-n3cc[nH+]c3)nn2)s1 ZINC000761855497 577690155 /nfs/dbraw/zinc/69/01/55/577690155.db2.gz OYCNGKNNGYWDAZ-UHFFFAOYSA-N 1 2 342.432 2.411 20 30 EEEDLO CCOC(=O)[C@H]([NH2+]Cc1ccc(OCC#N)cc1)[C@@H]1CCCOC1 ZINC000754255693 577803191 /nfs/dbraw/zinc/80/31/91/577803191.db2.gz BNPORVRBUYEWGK-NVXWUHKLSA-N 1 2 332.400 2.037 20 30 EEEDLO Cc1cc(C)cc(OCC2N=NC(=S)N2N=Cc2c[nH+]cn2C)c1 ZINC000755617755 577827970 /nfs/dbraw/zinc/82/79/70/577827970.db2.gz PTBOMUNJZQAPID-UHFFFAOYSA-N 1 2 342.428 2.378 20 30 EEEDLO Cc1cccn2c(CN=Nc3ccccc3S(C)(=O)=O)c[nH+]c12 ZINC000755726974 577830008 /nfs/dbraw/zinc/83/00/08/577830008.db2.gz QIXWHUBAHAGBKZ-UHFFFAOYSA-N 1 2 328.397 2.492 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C[C@@]2(CCOC2)CC1=O ZINC000756847964 577851257 /nfs/dbraw/zinc/85/12/57/577851257.db2.gz MBTALSBMTUMVHP-LJQANCHMSA-N 1 2 330.428 2.280 20 30 EEEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C[C@@]2(CCOC2)CC1=O ZINC000756847964 577851258 /nfs/dbraw/zinc/85/12/58/577851258.db2.gz MBTALSBMTUMVHP-LJQANCHMSA-N 1 2 330.428 2.280 20 30 EEEDLO CC(C)[C@@H](C(=O)OCc1ccnc(C#N)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000747065221 577938660 /nfs/dbraw/zinc/93/86/60/577938660.db2.gz UZZLMVIGZNNCBB-CPUCHLNUSA-N 1 2 331.416 2.130 20 30 EEEDLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N ZINC000741148683 578113742 /nfs/dbraw/zinc/11/37/42/578113742.db2.gz KKWUIYJTYYHTFW-CJNGLKHVSA-N 1 2 329.400 2.303 20 30 EEEDLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N ZINC000741148683 578113743 /nfs/dbraw/zinc/11/37/43/578113743.db2.gz KKWUIYJTYYHTFW-CJNGLKHVSA-N 1 2 329.400 2.303 20 30 EEEDLO C=C(Br)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741383321 578118311 /nfs/dbraw/zinc/11/83/11/578118311.db2.gz LLGGOOKBZFIVKR-AWEZNQCLSA-N 1 2 340.217 2.339 20 30 EEEDLO C=C(Br)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741383321 578118312 /nfs/dbraw/zinc/11/83/12/578118312.db2.gz LLGGOOKBZFIVKR-AWEZNQCLSA-N 1 2 340.217 2.339 20 30 EEEDLO C[C@H](NC(=O)c1ccncc1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969203042 674691694 /nfs/dbraw/zinc/69/16/94/674691694.db2.gz PVYWLIQGQWGJOI-ZDUSSCGKSA-N 1 2 338.386 2.343 20 30 EEEDLO Cc1noc(C)c1C(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969272040 674773781 /nfs/dbraw/zinc/77/37/81/674773781.db2.gz GCRKJKDIQDONME-GFCCVEGCSA-N 1 2 338.411 2.413 20 30 EEEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC000969526044 675092336 /nfs/dbraw/zinc/09/23/36/675092336.db2.gz ISJLZRDLEBKZNE-NSHDSACASA-N 1 2 343.818 2.185 20 30 EEEDLO C=C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2nnc(CC)o2)C1)c1ccccc1 ZINC000970776542 676144530 /nfs/dbraw/zinc/14/45/30/676144530.db2.gz GCCAOSHFVNBSPE-HZPDHXFCSA-N 1 2 340.427 2.292 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(C(F)F)ncn2)C1 ZINC000969961117 675346287 /nfs/dbraw/zinc/34/62/87/675346287.db2.gz KMKXBCKFAZGPBW-VIFPVBQESA-N 1 2 330.766 2.217 20 30 EEEDLO Cc1nocc1C(=O)N[C@H](C)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000970363049 675812367 /nfs/dbraw/zinc/81/23/67/675812367.db2.gz IDPIOQKMOLJCCV-CYBMUJFWSA-N 1 2 341.386 2.224 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC000970931707 676250360 /nfs/dbraw/zinc/25/03/60/676250360.db2.gz PFEWJGYZMAISKS-GFCCVEGCSA-N 1 2 345.834 2.274 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)c2ccccn2)C1 ZINC000970954130 676267545 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C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ncoc2CC)C1 ZINC000971245365 676455403 /nfs/dbraw/zinc/45/54/03/676455403.db2.gz BOQWKQKUUNQCQU-LLVKDONJSA-N 1 2 342.237 2.292 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2ncoc2CC)C1 ZINC000971245365 676455404 /nfs/dbraw/zinc/45/54/04/676455404.db2.gz BOQWKQKUUNQCQU-LLVKDONJSA-N 1 2 342.237 2.292 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nccc2c1CCCC2 ZINC000891393152 676552953 /nfs/dbraw/zinc/55/29/53/676552953.db2.gz AHHPXZKQVFSOOK-UHFFFAOYSA-N 1 2 328.460 2.008 20 30 EEEDLO N#CC1(CCC[N@H+]2CC(=O)NC[C@H]2c2ccccc2)CCOCC1 ZINC000933325739 676592398 /nfs/dbraw/zinc/59/23/98/676592398.db2.gz UFJPRENKKBIOEM-KRWDZBQOSA-N 1 2 327.428 2.260 20 30 EEEDLO N#CC1(CCC[N@@H+]2CC(=O)NC[C@H]2c2ccccc2)CCOCC1 ZINC000933325739 676592400 /nfs/dbraw/zinc/59/24/00/676592400.db2.gz UFJPRENKKBIOEM-KRWDZBQOSA-N 1 2 327.428 2.260 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2noc(CCC)n2)C1 ZINC001022202633 676728311 /nfs/dbraw/zinc/72/83/11/676728311.db2.gz 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C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(Cl)ccc3C)C2)C1 ZINC000972607013 679420478 /nfs/dbraw/zinc/42/04/78/679420478.db2.gz YKMYYNQHAQIHJY-SFHVURJKSA-N 1 2 332.831 2.199 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2ncccc2F)C1 ZINC000972610735 679423565 /nfs/dbraw/zinc/42/35/65/679423565.db2.gz UZGRODJWHWVMCN-NSHDSACASA-N 1 2 342.212 2.276 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2ncccc2F)C1 ZINC000972610735 679423567 /nfs/dbraw/zinc/42/35/67/679423567.db2.gz UZGRODJWHWVMCN-NSHDSACASA-N 1 2 342.212 2.276 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)n[nH]c3C(C)C)C2)C1 ZINC000972631345 679461433 /nfs/dbraw/zinc/46/14/33/679461433.db2.gz KKNOIWBNCKRHQB-IBGZPJMESA-N 1 2 346.475 2.335 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)n[nH]c3C(C)C)C2)C1 ZINC000972631345 679461436 /nfs/dbraw/zinc/46/14/36/679461436.db2.gz KKNOIWBNCKRHQB-IBGZPJMESA-N 1 2 346.475 2.335 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H](CNC(=O)c2nccs2)C1 ZINC001023666524 679463110 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EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Oc3cccc(C)c3)C2)C1 ZINC000972668183 679553363 /nfs/dbraw/zinc/55/33/63/679553363.db2.gz VSBDYHKCRUKVQW-FXAWDEMLSA-N 1 2 344.455 2.252 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Oc3cccc(C)c3)C2)C1 ZINC000972668183 679553367 /nfs/dbraw/zinc/55/33/67/679553367.db2.gz VSBDYHKCRUKVQW-FXAWDEMLSA-N 1 2 344.455 2.252 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cc3cccc(F)c3)C2)C1 ZINC000972693295 679615596 /nfs/dbraw/zinc/61/55/96/679615596.db2.gz YFYIKOSRZGGWEP-JXFKEZNVSA-N 1 2 346.446 2.494 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cc3cccc(F)c3)C2)C1 ZINC000972693295 679615597 /nfs/dbraw/zinc/61/55/97/679615597.db2.gz YFYIKOSRZGGWEP-JXFKEZNVSA-N 1 2 346.446 2.494 20 30 EEEDLO CC1(C)C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1ccon1 ZINC000972827184 679807085 /nfs/dbraw/zinc/80/70/85/679807085.db2.gz JOOCHBOAEDTQAF-QGZVFWFLSA-N 1 2 341.386 2.306 20 30 EEEDLO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1ccon1 ZINC000972827184 679807086 /nfs/dbraw/zinc/80/70/86/679807086.db2.gz JOOCHBOAEDTQAF-QGZVFWFLSA-N 1 2 341.386 2.306 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC000974716908 685310522 /nfs/dbraw/zinc/31/05/22/685310522.db2.gz APEBJKIBQHWWSB-GDBMZVCRSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC000974716908 685310526 /nfs/dbraw/zinc/31/05/26/685310526.db2.gz APEBJKIBQHWWSB-GDBMZVCRSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCn3ccnc3C2)C(C)(C)C1 ZINC000974743554 685366546 /nfs/dbraw/zinc/36/65/46/685366546.db2.gz RJOYQLKTLOIDMG-KBPBESRZSA-N 1 2 336.867 2.025 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2CCn3ccnc3C2)C(C)(C)C1 ZINC000974743554 685366548 /nfs/dbraw/zinc/36/65/48/685366548.db2.gz RJOYQLKTLOIDMG-KBPBESRZSA-N 1 2 336.867 2.025 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3cncn3C2)C(C)(C)C1 ZINC000974752023 685401353 /nfs/dbraw/zinc/40/13/53/685401353.db2.gz 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C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cn2nccc2nc1C ZINC001024739089 681399956 /nfs/dbraw/zinc/39/99/56/681399956.db2.gz XTUQEBFSTFQENW-AWEZNQCLSA-N 1 2 347.850 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cn2nccc2nc1C ZINC001024739089 681399962 /nfs/dbraw/zinc/39/99/62/681399962.db2.gz XTUQEBFSTFQENW-AWEZNQCLSA-N 1 2 347.850 2.375 20 30 EEEDLO Cn1ncnc1CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000177671947 681438904 /nfs/dbraw/zinc/43/89/04/681438904.db2.gz RXACNANOSSGYIG-UHFFFAOYSA-N 1 2 337.383 2.231 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCOC2)C(C)(C)C1 ZINC000972980974 681682357 /nfs/dbraw/zinc/68/23/57/681682357.db2.gz SNKDBJIWLQTZEH-CHWSQXEVSA-N 1 2 345.281 2.148 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCOC2)C(C)(C)C1 ZINC000972980974 681682362 /nfs/dbraw/zinc/68/23/62/681682362.db2.gz SNKDBJIWLQTZEH-CHWSQXEVSA-N 1 2 345.281 2.148 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)o1 ZINC000973049016 681935322 /nfs/dbraw/zinc/93/53/22/681935322.db2.gz WNSJRXLVPORZJD-DOMZBBRYSA-N 1 2 341.415 2.384 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)o1 ZINC000973049016 681935326 /nfs/dbraw/zinc/93/53/26/681935326.db2.gz WNSJRXLVPORZJD-DOMZBBRYSA-N 1 2 341.415 2.384 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2nc(C)c[nH]2)C[C@H]1C ZINC000947789015 682711336 /nfs/dbraw/zinc/71/13/36/682711336.db2.gz NSQJZVGNXSCFDA-VXGBXAGGSA-N 1 2 341.253 2.209 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2nc(C)c[nH]2)C[C@H]1C ZINC000947789015 682711339 /nfs/dbraw/zinc/71/13/39/682711339.db2.gz NSQJZVGNXSCFDA-VXGBXAGGSA-N 1 2 341.253 2.209 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001025790759 683275521 /nfs/dbraw/zinc/27/55/21/683275521.db2.gz NWTYZORUYPMEDR-LFQSUAPXSA-N 1 2 345.270 2.333 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001025790759 683275524 /nfs/dbraw/zinc/27/55/24/683275524.db2.gz NWTYZORUYPMEDR-LFQSUAPXSA-N 1 2 345.270 2.333 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000973761105 683446090 /nfs/dbraw/zinc/44/60/90/683446090.db2.gz WKMYTMKGMRDCFX-GOEBONIOSA-N 1 2 344.459 2.004 20 30 EEEDLO Cn1cccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029214081 683552396 /nfs/dbraw/zinc/55/23/96/683552396.db2.gz CVVGXYDFBBIZRY-KDURUIRLSA-N 1 2 333.435 2.366 20 30 EEEDLO Cn1cccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029214081 683552399 /nfs/dbraw/zinc/55/23/99/683552399.db2.gz CVVGXYDFBBIZRY-KDURUIRLSA-N 1 2 333.435 2.366 20 30 EEEDLO C=CCCn1cc(C(=O)NC2C[NH+](Cc3ccc(C)c(C)c3)C2)nn1 ZINC001031079984 683691503 /nfs/dbraw/zinc/69/15/03/683691503.db2.gz SJZPUBQTGDGGOY-UHFFFAOYSA-N 1 2 339.443 2.085 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)C2CCOCC2)[C@H]1C ZINC000992972000 683696785 /nfs/dbraw/zinc/69/67/85/683696785.db2.gz URQMTIAOHCECSR-OCCSQVGLSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)C2CCOCC2)[C@H]1C ZINC000992972000 683696789 /nfs/dbraw/zinc/69/67/89/683696789.db2.gz URQMTIAOHCECSR-OCCSQVGLSA-N 1 2 345.281 2.291 20 30 EEEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1c2cnccc2n(C)c1=O ZINC000153091426 683734068 /nfs/dbraw/zinc/73/40/68/683734068.db2.gz SSPPISVMHURCAH-UHFFFAOYSA-N 1 2 335.411 2.476 20 30 EEEDLO CCC[N@H+](Cc1ccc(C#N)cc1)Cn1c2cnccc2n(C)c1=O ZINC000153091426 683734071 /nfs/dbraw/zinc/73/40/71/683734071.db2.gz SSPPISVMHURCAH-UHFFFAOYSA-N 1 2 335.411 2.476 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cn[nH]c2)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000993111612 683937677 /nfs/dbraw/zinc/93/76/77/683937677.db2.gz KSETWDZKQGJKCN-SJCJKPOMSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cn[nH]c2)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000993111612 683937680 /nfs/dbraw/zinc/93/76/80/683937680.db2.gz KSETWDZKQGJKCN-SJCJKPOMSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cnsn2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993115630 683942346 /nfs/dbraw/zinc/94/23/46/683942346.db2.gz PNJHAMHWNYNDRH-ZWNOBZJWSA-N 1 2 347.469 2.254 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cnsn2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993115630 683942347 /nfs/dbraw/zinc/94/23/47/683942347.db2.gz PNJHAMHWNYNDRH-ZWNOBZJWSA-N 1 2 347.469 2.254 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)[C@H](C)c3ncccn3)C2)cn1 ZINC001027655752 693809431 /nfs/dbraw/zinc/80/94/31/693809431.db2.gz BLTGIAZIRGAQRJ-CRAIPNDOSA-N 1 2 349.438 2.151 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)[C@H](C)c3ncccn3)C2)cn1 ZINC001027655752 693809435 /nfs/dbraw/zinc/80/94/35/693809435.db2.gz BLTGIAZIRGAQRJ-CRAIPNDOSA-N 1 2 349.438 2.151 20 30 EEEDLO CO[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1)C(C)C ZINC001029457130 684730937 /nfs/dbraw/zinc/73/09/37/684730937.db2.gz FYPMSMJHTLVDHI-VBQJREDUSA-N 1 2 347.484 2.466 20 30 EEEDLO CO[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1)C(C)C ZINC001029457130 684730938 /nfs/dbraw/zinc/73/09/38/684730938.db2.gz FYPMSMJHTLVDHI-VBQJREDUSA-N 1 2 347.484 2.466 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)n3)[C@@H](C)C2)CC1 ZINC000947689815 684774413 /nfs/dbraw/zinc/77/44/13/684774413.db2.gz MXTFEMQWQXOZOF-GOEBONIOSA-N 1 2 331.464 2.031 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)n3)[C@@H](C)C2)CC1 ZINC000947689815 684774415 /nfs/dbraw/zinc/77/44/15/684774415.db2.gz MXTFEMQWQXOZOF-GOEBONIOSA-N 1 2 331.464 2.031 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000896304431 684932925 /nfs/dbraw/zinc/93/29/25/684932925.db2.gz NINHQXSINNMGSC-OAQYLSRUSA-N 1 2 348.446 2.341 20 30 EEEDLO CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)c1ncccc1O ZINC000974492656 684984804 /nfs/dbraw/zinc/98/48/04/684984804.db2.gz SPCKRCYEXFFSIQ-SFHVURJKSA-N 1 2 349.434 2.279 20 30 EEEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)c1ncccc1O ZINC000974492656 684984807 /nfs/dbraw/zinc/98/48/07/684984807.db2.gz SPCKRCYEXFFSIQ-SFHVURJKSA-N 1 2 349.434 2.279 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059562931 687112729 /nfs/dbraw/zinc/11/27/29/687112729.db2.gz OCELCCVLERHKLE-JKSUJKDBSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3nnc(C)[nH]3)C2)CC1 ZINC001029825381 687219741 /nfs/dbraw/zinc/21/97/41/687219741.db2.gz CKPQGSZMIBUWAH-HNNXBMFYSA-N 1 2 331.464 2.140 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H](C[N@H+](C)Cc3nnc(C)[nH]3)C2)CC1 ZINC001029825381 687219747 /nfs/dbraw/zinc/21/97/47/687219747.db2.gz CKPQGSZMIBUWAH-HNNXBMFYSA-N 1 2 331.464 2.140 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3nnc(C4CC4)[nH]3)C2)C1 ZINC001029834917 687251848 /nfs/dbraw/zinc/25/18/48/687251848.db2.gz ARAQMPPXYZRSFO-AWEZNQCLSA-N 1 2 343.475 2.319 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H](C[N@H+](C)Cc3nnc(C4CC4)[nH]3)C2)C1 ZINC001029834917 687251852 /nfs/dbraw/zinc/25/18/52/687251852.db2.gz ARAQMPPXYZRSFO-AWEZNQCLSA-N 1 2 343.475 2.319 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC([N@@H+](C)Cc2nnnn2CCC)CC1 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KASQHVQFKKGILT-CVEARBPZSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001060175343 694245248 /nfs/dbraw/zinc/24/52/48/694245248.db2.gz KASQHVQFKKGILT-CVEARBPZSA-N 1 2 346.475 2.299 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000987098861 689353427 /nfs/dbraw/zinc/35/34/27/689353427.db2.gz SOVHZSRMULHQBJ-CQSZACIVSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2C[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC000979248930 694347981 /nfs/dbraw/zinc/34/79/81/694347981.db2.gz LISUBRSZJJBMSH-FZNQNYSPSA-N 1 2 344.459 2.018 20 30 EEEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347481671 694373184 /nfs/dbraw/zinc/37/31/84/694373184.db2.gz JZGSHQYOFUMTDJ-GOEBONIOSA-N 1 2 338.411 2.465 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@H]2C[C@@H](Nc3nccnc3C#N)C2)c(C)[nH+]1 ZINC001059891424 690709206 /nfs/dbraw/zinc/70/92/06/690709206.db2.gz PJRJPOUHLFWSKO-OKILXGFUSA-N 1 2 336.399 2.041 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCOC1 ZINC001027779297 694445944 /nfs/dbraw/zinc/44/59/44/694445944.db2.gz VVCBVCDKHAJXAH-CRAIPNDOSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCOC1 ZINC001027779297 694445948 /nfs/dbraw/zinc/44/59/48/694445948.db2.gz VVCBVCDKHAJXAH-CRAIPNDOSA-N 1 2 345.418 2.205 20 30 EEEDLO C#CCOc1ccc(Br)cc1C[NH2+]Cc1cn(C)cn1 ZINC000898045790 691848495 /nfs/dbraw/zinc/84/84/95/691848495.db2.gz SMFSBYQXEXPLME-UHFFFAOYSA-N 1 2 334.217 2.484 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@@H](C)c3cnc(C)cn3)CC2)cn1 ZINC000989511498 691999583 /nfs/dbraw/zinc/99/95/83/691999583.db2.gz XCVBTBLYXJZBPH-INIZCTEOSA-N 1 2 349.438 2.070 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@@H](C)c3cnc(C)cn3)CC2)cn1 ZINC000989511498 691999586 /nfs/dbraw/zinc/99/95/86/691999586.db2.gz XCVBTBLYXJZBPH-INIZCTEOSA-N 1 2 349.438 2.070 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)o1 ZINC000990276520 692803226 /nfs/dbraw/zinc/80/32/26/692803226.db2.gz MKAFBFNRZKDCAR-CRAIPNDOSA-N 1 2 339.399 2.110 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)o1 ZINC000990276520 692803233 /nfs/dbraw/zinc/80/32/33/692803233.db2.gz MKAFBFNRZKDCAR-CRAIPNDOSA-N 1 2 339.399 2.110 20 30 EEEDLO C=C1CCC(C(=O)N(C)C[C@H]2CCN2C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000978330762 693489716 /nfs/dbraw/zinc/48/97/16/693489716.db2.gz QOFGKUABHZJWQF-MRXNPFEDSA-N 1 2 344.459 2.148 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cnoc2C2CC2)C1 ZINC001032097220 1192451982 /nfs/dbraw/zinc/45/19/82/1192451982.db2.gz RRVZLJFTNONRBZ-UHFFFAOYSA-N 1 2 336.395 2.285 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2oncc2C)[C@H](C)C1 ZINC000943814672 1192580063 /nfs/dbraw/zinc/58/00/63/1192580063.db2.gz IYFCWAHQIRBFQQ-PWSUYJOCSA-N 1 2 342.237 2.332 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2oncc2C)[C@H](C)C1 ZINC000943814672 1192580066 /nfs/dbraw/zinc/58/00/66/1192580066.db2.gz IYFCWAHQIRBFQQ-PWSUYJOCSA-N 1 2 342.237 2.332 20 30 EEEDLO CCCc1cc(C(=O)N[C@H]2CC[N@H+](CC#CCOC)C2)sc1C ZINC001266359165 1176398339 /nfs/dbraw/zinc/39/83/39/1176398339.db2.gz OZOLHTJPPHSRPT-INIZCTEOSA-N 1 2 334.485 2.463 20 30 EEEDLO CCCc1cc(C(=O)N[C@H]2CC[N@@H+](CC#CCOC)C2)sc1C ZINC001266359165 1176398347 /nfs/dbraw/zinc/39/83/47/1176398347.db2.gz OZOLHTJPPHSRPT-INIZCTEOSA-N 1 2 334.485 2.463 20 30 EEEDLO COc1ccccc1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001032144513 1192774121 /nfs/dbraw/zinc/77/41/21/1192774121.db2.gz UZZSTODDOUSNJW-UHFFFAOYSA-N 1 2 334.419 2.409 20 30 EEEDLO CC(C)C#CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(C2CC2)no1 ZINC001266868079 1177633721 /nfs/dbraw/zinc/63/37/21/1177633721.db2.gz SGKYMJGXSIZJCJ-OAHLLOKOSA-N 1 2 330.432 2.077 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)co1 ZINC001088535354 1187180020 /nfs/dbraw/zinc/18/00/20/1187180020.db2.gz PXXNWLHZCALCBI-DYVFJYSZSA-N 1 2 341.386 2.366 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)[C@@H]2C)co1 ZINC001088535354 1187180021 /nfs/dbraw/zinc/18/00/21/1187180021.db2.gz PXXNWLHZCALCBI-DYVFJYSZSA-N 1 2 341.386 2.366 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2[nH]nc3c2CCCC3)[C@H]1C ZINC001088567711 1187407544 /nfs/dbraw/zinc/40/75/44/1187407544.db2.gz CISAWZSWGUNXNY-OCCSQVGLSA-N 1 2 336.867 2.163 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]nc3c2CCCC3)[C@H]1C ZINC001088567711 1187407545 /nfs/dbraw/zinc/40/75/45/1187407545.db2.gz CISAWZSWGUNXNY-OCCSQVGLSA-N 1 2 336.867 2.163 20 30 EEEDLO CCc1nnc(C[N@@H+]2CCC[C@H]([C@@H](C)NC(=O)C#CC(C)C)C2)s1 ZINC001752836589 1187669233 /nfs/dbraw/zinc/66/92/33/1187669233.db2.gz ONIXRYJFCTVVFP-CABCVRRESA-N 1 2 348.516 2.477 20 30 EEEDLO CCc1nnc(C[N@H+]2CCC[C@H]([C@@H](C)NC(=O)C#CC(C)C)C2)s1 ZINC001752836589 1187669236 /nfs/dbraw/zinc/66/92/36/1187669236.db2.gz ONIXRYJFCTVVFP-CABCVRRESA-N 1 2 348.516 2.477 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)[C@H]1C ZINC001088646909 1188037697 /nfs/dbraw/zinc/03/76/97/1188037697.db2.gz MWMWGKFUSAHGEK-KOLCDFICSA-N 1 2 348.756 2.441 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)[C@H]1C ZINC001088646909 1188037700 /nfs/dbraw/zinc/03/77/00/1188037700.db2.gz MWMWGKFUSAHGEK-KOLCDFICSA-N 1 2 348.756 2.441 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnc(C4CC4)n3)[C@@H]2C1 ZINC001076313157 1188848283 /nfs/dbraw/zinc/84/82/83/1188848283.db2.gz MJNWUPAGMGUVHN-DZGCQCFKSA-N 1 2 332.835 2.253 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccnc(C4CC4)n3)[C@@H]2C1 ZINC001076313157 1188848288 /nfs/dbraw/zinc/84/82/88/1188848288.db2.gz MJNWUPAGMGUVHN-DZGCQCFKSA-N 1 2 332.835 2.253 20 30 EEEDLO Cc1cc(C)c(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(C)[nH+]1 ZINC000905773723 1189917777 /nfs/dbraw/zinc/91/77/77/1189917777.db2.gz FBGLDIVMVPPIIA-UHFFFAOYSA-N 1 2 335.411 2.236 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(-n2cccn2)ccn1 ZINC001409616605 1190114757 /nfs/dbraw/zinc/11/47/57/1190114757.db2.gz KYVIXODNWDVTPD-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc(-n2cccn2)ccn1 ZINC001409616605 1190114758 /nfs/dbraw/zinc/11/47/58/1190114758.db2.gz KYVIXODNWDVTPD-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(F)cc1C#N ZINC001272386684 1190796731 /nfs/dbraw/zinc/79/67/31/1190796731.db2.gz MACLSNWOQUVJJN-IBGZPJMESA-N 1 2 325.387 2.288 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(F)cc1C#N ZINC001272386684 1190796733 /nfs/dbraw/zinc/79/67/33/1190796733.db2.gz MACLSNWOQUVJJN-IBGZPJMESA-N 1 2 325.387 2.288 20 30 EEEDLO C=CCOc1ccccc1C[NH+]1CC2(C1)COCC(=O)N2[C@H](C)CC ZINC001272942670 1193821110 /nfs/dbraw/zinc/82/11/10/1193821110.db2.gz RXLCVGHXZBYCJB-MRXNPFEDSA-N 1 2 344.455 2.463 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001033431101 1194567139 /nfs/dbraw/zinc/56/71/39/1194567139.db2.gz BHZOYGPPDAADMO-INMHGKMJSA-N 1 2 347.459 2.422 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001033431101 1194567143 /nfs/dbraw/zinc/56/71/43/1194567143.db2.gz BHZOYGPPDAADMO-INMHGKMJSA-N 1 2 347.459 2.422 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cscn2)C1 ZINC001033477091 1194615396 /nfs/dbraw/zinc/61/53/96/1194615396.db2.gz GTOZIRCQLKMACE-LBPRGKRZSA-N 1 2 344.278 2.127 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cscn2)C1 ZINC001033477091 1194615399 /nfs/dbraw/zinc/61/53/99/1194615399.db2.gz GTOZIRCQLKMACE-LBPRGKRZSA-N 1 2 344.278 2.127 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3nc(C)oc3C)C2)cn1 ZINC001033605798 1194944468 /nfs/dbraw/zinc/94/44/68/1194944468.db2.gz XYIIZFUBHAOHNA-KRWDZBQOSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3nc(C)oc3C)C2)cn1 ZINC001033605798 1194944470 /nfs/dbraw/zinc/94/44/70/1194944470.db2.gz XYIIZFUBHAOHNA-KRWDZBQOSA-N 1 2 338.411 2.014 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001005301929 1195151988 /nfs/dbraw/zinc/15/19/88/1195151988.db2.gz GJHIVSMYVISWAL-PBHICJAKSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc3n[nH]nc32)C1 ZINC001033843962 1195372789 /nfs/dbraw/zinc/37/27/89/1195372789.db2.gz OKQSTDHXCRRZMA-GFCCVEGCSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc3n[nH]nc32)C1 ZINC001033843962 1195372791 /nfs/dbraw/zinc/37/27/91/1195372791.db2.gz OKQSTDHXCRRZMA-GFCCVEGCSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cnn(CCF)c2)C1 ZINC001033878396 1195417433 /nfs/dbraw/zinc/41/74/33/1195417433.db2.gz JTRKLHLUVSZMGS-CQSZACIVSA-N 1 2 328.819 2.142 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnn(CCF)c2)C1 ZINC001033878396 1195417434 /nfs/dbraw/zinc/41/74/34/1195417434.db2.gz JTRKLHLUVSZMGS-CQSZACIVSA-N 1 2 328.819 2.142 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(OCC)n[nH]2)C1 ZINC001033869786 1195423278 /nfs/dbraw/zinc/42/32/78/1195423278.db2.gz WQFASFPKJSADDY-LBPRGKRZSA-N 1 2 326.828 2.097 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(OCC)n[nH]2)C1 ZINC001033869786 1195423282 /nfs/dbraw/zinc/42/32/82/1195423282.db2.gz WQFASFPKJSADDY-LBPRGKRZSA-N 1 2 326.828 2.097 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccnc3c2ncn3C)C1 ZINC001033946376 1195546115 /nfs/dbraw/zinc/54/61/15/1195546115.db2.gz FWXFFCDJKAEWJR-CYBMUJFWSA-N 1 2 347.850 2.257 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccnc3c2ncn3C)C1 ZINC001033946376 1195546119 /nfs/dbraw/zinc/54/61/19/1195546119.db2.gz FWXFFCDJKAEWJR-CYBMUJFWSA-N 1 2 347.850 2.257 20 30 EEEDLO Cc1nc(N[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)c2c([nH+]1)CCCC2 ZINC001067090029 1224304324 /nfs/dbraw/zinc/30/43/24/1224304324.db2.gz SYSWJXJSTSDWBH-UGSOOPFHSA-N 1 2 338.455 2.336 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC001034166121 1195884602 /nfs/dbraw/zinc/88/46/02/1195884602.db2.gz ZVQBZKNUSYNRRJ-AWEZNQCLSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC001034166121 1195884605 /nfs/dbraw/zinc/88/46/05/1195884605.db2.gz ZVQBZKNUSYNRRJ-AWEZNQCLSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1csc(C[N@@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001034171442 1195894253 /nfs/dbraw/zinc/89/42/53/1195894253.db2.gz PZGRFESPUUDYNY-CQSZACIVSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1csc(C[N@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001034171442 1195894259 /nfs/dbraw/zinc/89/42/59/1195894259.db2.gz PZGRFESPUUDYNY-CQSZACIVSA-N 1 2 343.456 2.436 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@H+](Cc2cnccc2C)CCO1 ZINC001108119525 1195895578 /nfs/dbraw/zinc/89/55/78/1195895578.db2.gz OPFGLMPHXOEFFX-IBGZPJMESA-N 1 2 331.460 2.309 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@@H+](Cc2cnccc2C)CCO1 ZINC001108119525 1195895582 /nfs/dbraw/zinc/89/55/82/1195895582.db2.gz OPFGLMPHXOEFFX-IBGZPJMESA-N 1 2 331.460 2.309 20 30 EEEDLO C#CCC[N@H+]1CCCC[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC001034287642 1196050802 /nfs/dbraw/zinc/05/08/02/1196050802.db2.gz WZKYOJIRHWNNQH-HNNXBMFYSA-N 1 2 337.423 2.136 20 30 EEEDLO C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC001034287642 1196050804 /nfs/dbraw/zinc/05/08/04/1196050804.db2.gz WZKYOJIRHWNNQH-HNNXBMFYSA-N 1 2 337.423 2.136 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)c2cnn(C)c2)C1 ZINC001034465563 1196245113 /nfs/dbraw/zinc/24/51/13/1196245113.db2.gz RHOGAVBVJKVKEC-OAHLLOKOSA-N 1 2 338.883 2.421 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)c2cnn(C)c2)C1 ZINC001034465563 1196245118 /nfs/dbraw/zinc/24/51/18/1196245118.db2.gz RHOGAVBVJKVKEC-OAHLLOKOSA-N 1 2 338.883 2.421 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(N(C)C)ccn2)C1 ZINC001034549336 1196380506 /nfs/dbraw/zinc/38/05/06/1196380506.db2.gz XZDAWPNVVZLVJU-AWEZNQCLSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(N(C)C)ccn2)C1 ZINC001034549336 1196380509 /nfs/dbraw/zinc/38/05/09/1196380509.db2.gz XZDAWPNVVZLVJU-AWEZNQCLSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@@]1(C)C[N@H+](CCOCC(F)F)CCO1 ZINC001108147577 1196620280 /nfs/dbraw/zinc/62/02/80/1196620280.db2.gz AFIDWWZEEUNXHU-YOEHRIQHSA-N 1 2 348.434 2.078 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@@]1(C)C[N@@H+](CCOCC(F)F)CCO1 ZINC001108147577 1196620284 /nfs/dbraw/zinc/62/02/84/1196620284.db2.gz AFIDWWZEEUNXHU-YOEHRIQHSA-N 1 2 348.434 2.078 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CCC[C@@H](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129020698 1196805905 /nfs/dbraw/zinc/80/59/05/1196805905.db2.gz ZLYNGBYUHKBFRW-KSZLIROESA-N 1 2 345.491 2.249 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CCC[C@@H](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129020698 1196805912 /nfs/dbraw/zinc/80/59/12/1196805912.db2.gz ZLYNGBYUHKBFRW-KSZLIROESA-N 1 2 345.491 2.249 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn([C@H](C)CC)c1C ZINC001018154542 1224401711 /nfs/dbraw/zinc/40/17/11/1224401711.db2.gz LDIWNWFCWUVJJI-OIISXLGYSA-N 1 2 328.460 2.475 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn([C@H](C)CC)c1C ZINC001018154542 1224401715 /nfs/dbraw/zinc/40/17/15/1224401715.db2.gz LDIWNWFCWUVJJI-OIISXLGYSA-N 1 2 328.460 2.475 20 30 EEEDLO C[C@@H]1C[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@@]2(CCOC2)O1 ZINC000794700967 1197822268 /nfs/dbraw/zinc/82/22/68/1197822268.db2.gz ISXUCJMBQBNWJW-DNVCBOLYSA-N 1 2 338.411 2.259 20 30 EEEDLO C[C@@H]1C[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@@]2(CCOC2)O1 ZINC000794700967 1197822277 /nfs/dbraw/zinc/82/22/77/1197822277.db2.gz ISXUCJMBQBNWJW-DNVCBOLYSA-N 1 2 338.411 2.259 20 30 EEEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cnc(Cl)nc1)CC2 ZINC001273277182 1197947110 /nfs/dbraw/zinc/94/71/10/1197947110.db2.gz HPIGJKNFGIKYGM-CQSZACIVSA-N 1 2 347.850 2.152 20 30 EEEDLO CC(=[NH+][N-]c1cc(C)[nH+]c(N)n1)c1ccc(N2CCOCC2)cc1 ZINC000872420711 1198175440 /nfs/dbraw/zinc/17/54/40/1198175440.db2.gz WPYSMVSXJNPYPM-UHFFFAOYSA-N 1 2 326.404 2.040 20 30 EEEDLO CC(=[NH+][N-]c1cc(C)[nH+]c(N)n1)c1cccc(N2CCOCC2)c1 ZINC000872420568 1198176122 /nfs/dbraw/zinc/17/61/22/1198176122.db2.gz UFTVADLJNBDSHN-UHFFFAOYSA-N 1 2 326.404 2.040 20 30 EEEDLO C#CC[C@@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1CC)c1ccccc1 ZINC000875427915 1199246335 /nfs/dbraw/zinc/24/63/35/1199246335.db2.gz YBVHYUPBLCQTPP-ZWKOTPCHSA-N 1 2 329.444 2.161 20 30 EEEDLO C#CC[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC)c1ccccc1 ZINC000875427915 1199246338 /nfs/dbraw/zinc/24/63/38/1199246338.db2.gz YBVHYUPBLCQTPP-ZWKOTPCHSA-N 1 2 329.444 2.161 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132073403 1199265457 /nfs/dbraw/zinc/26/54/57/1199265457.db2.gz VTTQACGWZKJGGK-HZPDHXFCSA-N 1 2 337.508 2.474 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132073403 1199265464 /nfs/dbraw/zinc/26/54/64/1199265464.db2.gz VTTQACGWZKJGGK-HZPDHXFCSA-N 1 2 337.508 2.474 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(=O)NCC3CCC3)C2)C1 ZINC001132273802 1199522466 /nfs/dbraw/zinc/52/24/66/1199522466.db2.gz KEMHFWAYERPDLS-DOTOQJQBSA-N 1 2 347.503 2.228 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=O)NCC3CCC3)C2)C1 ZINC001132273802 1199522467 /nfs/dbraw/zinc/52/24/67/1199522467.db2.gz 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ZINC000968017585 1220987383 /nfs/dbraw/zinc/98/73/83/1220987383.db2.gz QHCNESHKYJVRLK-IAQYHMDHSA-N 1 2 325.815 2.342 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccnc3c2ncn3C)C1 ZINC000968320932 1221206965 /nfs/dbraw/zinc/20/69/65/1221206965.db2.gz BLALAQREOJJRBV-RISCZKNCSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccnc3c2ncn3C)C1 ZINC000968320932 1221206966 /nfs/dbraw/zinc/20/69/66/1221206966.db2.gz BLALAQREOJJRBV-RISCZKNCSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc(Cl)cn2)C1 ZINC000968366022 1221244586 /nfs/dbraw/zinc/24/45/86/1221244586.db2.gz QZBCYPFUOBTLFY-GXFFZTMASA-N 1 2 331.247 2.116 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc(Cl)cn2)C1 ZINC000968366022 1221244591 /nfs/dbraw/zinc/24/45/91/1221244591.db2.gz QZBCYPFUOBTLFY-GXFFZTMASA-N 1 2 331.247 2.116 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccon1 ZINC000969028075 1221751528 /nfs/dbraw/zinc/75/15/28/1221751528.db2.gz 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N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCOCC2)C1 ZINC001007242546 1222143864 /nfs/dbraw/zinc/14/38/64/1222143864.db2.gz LGVZAYDPDJFDEI-LPHOPBHVSA-N 1 2 341.455 2.456 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCOCC2)C1 ZINC001007242546 1222143866 /nfs/dbraw/zinc/14/38/66/1222143866.db2.gz LGVZAYDPDJFDEI-LPHOPBHVSA-N 1 2 341.455 2.456 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001007501859 1222263689 /nfs/dbraw/zinc/26/36/89/1222263689.db2.gz CPMSBCGAXCDZLB-QGZVFWFLSA-N 1 2 339.443 2.167 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@H+](Cc2cnc(C)nc2)C1 ZINC001007501859 1222263692 /nfs/dbraw/zinc/26/36/92/1222263692.db2.gz CPMSBCGAXCDZLB-QGZVFWFLSA-N 1 2 339.443 2.167 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)no2)C1 ZINC001007502057 1222264280 /nfs/dbraw/zinc/26/42/80/1222264280.db2.gz FXVJQOFKJPBYOV-HNNXBMFYSA-N 1 2 328.416 2.365 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(C)no2)C1 ZINC001007502057 1222264282 /nfs/dbraw/zinc/26/42/82/1222264282.db2.gz FXVJQOFKJPBYOV-HNNXBMFYSA-N 1 2 328.416 2.365 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001007647313 1222343768 /nfs/dbraw/zinc/34/37/68/1222343768.db2.gz BXNXGMSXUFOTSP-OAHLLOKOSA-N 1 2 349.862 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001007647313 1222343770 /nfs/dbraw/zinc/34/37/70/1222343770.db2.gz BXNXGMSXUFOTSP-OAHLLOKOSA-N 1 2 349.862 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c3cnccc23)C1 ZINC001008305243 1222749361 /nfs/dbraw/zinc/74/93/61/1222749361.db2.gz RBDOFZCCFDHMSC-AWEZNQCLSA-N 1 2 332.835 2.439 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH]c3cnccc23)C1 ZINC001008305243 1222749364 /nfs/dbraw/zinc/74/93/64/1222749364.db2.gz RBDOFZCCFDHMSC-AWEZNQCLSA-N 1 2 332.835 2.439 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001008812718 1223048708 /nfs/dbraw/zinc/04/87/08/1223048708.db2.gz CINVZUOVAMTIIG-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001008812718 1223048711 /nfs/dbraw/zinc/04/87/11/1223048711.db2.gz CINVZUOVAMTIIG-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cn2)C1 ZINC001008839778 1223053926 /nfs/dbraw/zinc/05/39/26/1223053926.db2.gz KTJZTXDIFSRNPE-SQNIBIBYSA-N 1 2 347.434 2.283 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001008839778 1223053927 /nfs/dbraw/zinc/05/39/27/1223053927.db2.gz KTJZTXDIFSRNPE-SQNIBIBYSA-N 1 2 347.434 2.283 20 30 EEEDLO C[C@@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CCOC1 ZINC001009002623 1223109210 /nfs/dbraw/zinc/10/92/10/1223109210.db2.gz IXMOGXPFYDKNAT-QFBILLFUSA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CCOC1 ZINC001009002623 1223109212 /nfs/dbraw/zinc/10/92/12/1223109212.db2.gz IXMOGXPFYDKNAT-QFBILLFUSA-N 1 2 345.418 2.205 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)on1 ZINC001010156741 1223579836 /nfs/dbraw/zinc/57/98/36/1223579836.db2.gz YKBGJCJLYYMGFJ-INIZCTEOSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)on1 ZINC001010156741 1223579838 /nfs/dbraw/zinc/57/98/38/1223579838.db2.gz YKBGJCJLYYMGFJ-INIZCTEOSA-N 1 2 343.814 2.492 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)c3ccccc3O)C2)c1 ZINC001010267002 1223635015 /nfs/dbraw/zinc/63/50/15/1223635015.db2.gz IKOWXSHYONUZOZ-HNNXBMFYSA-N 1 2 339.370 2.407 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)c3ccccc3O)C2)c1 ZINC001010267002 1223635017 /nfs/dbraw/zinc/63/50/17/1223635017.db2.gz IKOWXSHYONUZOZ-HNNXBMFYSA-N 1 2 339.370 2.407 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)s1 ZINC001010356132 1223678266 /nfs/dbraw/zinc/67/82/66/1223678266.db2.gz YYABFFYHSUBVLA-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)s1 ZINC001010356132 1223678268 /nfs/dbraw/zinc/67/82/68/1223678268.db2.gz YYABFFYHSUBVLA-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cncc(F)c3)C2)s1 ZINC001010531000 1223768404 /nfs/dbraw/zinc/76/84/04/1223768404.db2.gz STXDEOLNGXMSOQ-CYBMUJFWSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cncc(F)c3)C2)s1 ZINC001010531000 1223768406 /nfs/dbraw/zinc/76/84/06/1223768406.db2.gz STXDEOLNGXMSOQ-CYBMUJFWSA-N 1 2 330.388 2.158 20 30 EEEDLO COc1ccc(F)cc1C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010661170 1223839895 /nfs/dbraw/zinc/83/98/95/1223839895.db2.gz BWCYKMLDQFZBTQ-HNNXBMFYSA-N 1 2 342.374 2.038 20 30 EEEDLO COc1ccc(F)cc1C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010661170 1223839897 /nfs/dbraw/zinc/83/98/97/1223839897.db2.gz BWCYKMLDQFZBTQ-HNNXBMFYSA-N 1 2 342.374 2.038 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001011145553 1224061833 /nfs/dbraw/zinc/06/18/33/1224061833.db2.gz TTXCQTIPXGNTKQ-CRAIPNDOSA-N 1 2 332.448 2.107 20 30 EEEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)NCc2ccccc2C)cc1 ZINC000113249132 1226730191 /nfs/dbraw/zinc/73/01/91/1226730191.db2.gz LVEMVJMNCKNJNI-CQSZACIVSA-N 1 2 341.411 2.345 20 30 EEEDLO C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)c2c[nH]c(C)cc2=O)CC1 ZINC001016911506 1226964912 /nfs/dbraw/zinc/96/49/12/1226964912.db2.gz ANSJGZQJPUGWIN-OAHLLOKOSA-N 1 2 335.835 2.020 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H](C[N@@H+](C)Cc3ncnn3CC)C2)C1 ZINC001017202812 1227223626 /nfs/dbraw/zinc/22/36/26/1227223626.db2.gz AHWOPMBBVVTEKY-INIZCTEOSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H](C[N@H+](C)Cc3ncnn3CC)C2)C1 ZINC001017202812 1227223628 /nfs/dbraw/zinc/22/36/28/1227223628.db2.gz AHWOPMBBVVTEKY-INIZCTEOSA-N 1 2 345.491 2.325 20 30 EEEDLO Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038154447 1229668829 /nfs/dbraw/zinc/66/88/29/1229668829.db2.gz SAGKVSFABBVXLY-CQSZACIVSA-N 1 2 341.415 2.311 20 30 EEEDLO Cc1nc(C(C)C)oc1C[N@H+]1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038154447 1229668833 /nfs/dbraw/zinc/66/88/33/1229668833.db2.gz SAGKVSFABBVXLY-CQSZACIVSA-N 1 2 341.415 2.311 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1c(C)onc1CC ZINC001038260821 1229709201 /nfs/dbraw/zinc/70/92/01/1229709201.db2.gz USAJOWYSXKHERE-RKVPGOIHSA-N 1 2 347.459 2.217 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1c(C)onc1CC ZINC001038260821 1229709203 /nfs/dbraw/zinc/70/92/03/1229709203.db2.gz USAJOWYSXKHERE-RKVPGOIHSA-N 1 2 347.459 2.217 20 30 EEEDLO COCc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)o1 ZINC001038480508 1229860539 /nfs/dbraw/zinc/86/05/39/1229860539.db2.gz IKRUBROZSZCIEP-INIZCTEOSA-N 1 2 339.395 2.302 20 30 EEEDLO COCc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)o1 ZINC001038480508 1229860542 /nfs/dbraw/zinc/86/05/42/1229860542.db2.gz IKRUBROZSZCIEP-INIZCTEOSA-N 1 2 339.395 2.302 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1 ZINC001038529763 1229899537 /nfs/dbraw/zinc/89/95/37/1229899537.db2.gz OCVNZVWCNNSJTO-CADBVGFASA-N 1 2 339.439 2.064 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1 ZINC001038529763 1229899540 /nfs/dbraw/zinc/89/95/40/1229899540.db2.gz OCVNZVWCNNSJTO-CADBVGFASA-N 1 2 339.439 2.064 20 30 EEEDLO CN(C)c1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)ccn1 ZINC001038768058 1230036330 /nfs/dbraw/zinc/03/63/30/1230036330.db2.gz MSNZSLAPMZIULU-GOSISDBHSA-N 1 2 349.438 2.024 20 30 EEEDLO CN(C)c1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)ccn1 ZINC001038768058 1230036333 /nfs/dbraw/zinc/03/63/33/1230036333.db2.gz MSNZSLAPMZIULU-GOSISDBHSA-N 1 2 349.438 2.024 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2c(C)nsc2C)nc1 ZINC001038943089 1230182110 /nfs/dbraw/zinc/18/21/10/1230182110.db2.gz OVTALERSEYJOMC-OAHLLOKOSA-N 1 2 340.452 2.141 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2c(C)nsc2C)nc1 ZINC001038943089 1230182114 /nfs/dbraw/zinc/18/21/14/1230182114.db2.gz OVTALERSEYJOMC-OAHLLOKOSA-N 1 2 340.452 2.141 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)C(F)F)s1 ZINC001039320827 1230525520 /nfs/dbraw/zinc/52/55/20/1230525520.db2.gz YXXMOTCHCAIQEJ-MNOVXSKESA-N 1 2 325.384 2.450 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)C(F)F)s1 ZINC001039320827 1230525522 /nfs/dbraw/zinc/52/55/22/1230525522.db2.gz YXXMOTCHCAIQEJ-MNOVXSKESA-N 1 2 325.384 2.450 20 30 EEEDLO Cc1nc(NC[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC[C@H]2C)cc[nH+]1 ZINC001039854742 1230859655 /nfs/dbraw/zinc/85/96/55/1230859655.db2.gz KRNREDWIGHIQOR-DOMZBBRYSA-N 1 2 338.415 2.195 20 30 EEEDLO Cc1noc([C@@H](C)[N@@H+]2CCC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)n1 ZINC001040199169 1231095237 /nfs/dbraw/zinc/09/52/37/1231095237.db2.gz ZBWJDYDXMLOGIQ-AUUYWEPGSA-N 1 2 342.443 2.167 20 30 EEEDLO Cc1noc([C@@H](C)[N@H+]2CCC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)n1 ZINC001040199169 1231095239 /nfs/dbraw/zinc/09/52/39/1231095239.db2.gz ZBWJDYDXMLOGIQ-AUUYWEPGSA-N 1 2 342.443 2.167 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1nonc1C)C2 ZINC001040327313 1231171948 /nfs/dbraw/zinc/17/19/48/1231171948.db2.gz DXHASUDZVMHPMM-SFHVURJKSA-N 1 2 332.448 2.405 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1nonc1C)C2 ZINC001040327313 1231171951 /nfs/dbraw/zinc/17/19/51/1231171951.db2.gz DXHASUDZVMHPMM-SFHVURJKSA-N 1 2 332.448 2.405 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(C(F)F)[nH]n3)C2)C1 ZINC001040388308 1231200627 /nfs/dbraw/zinc/20/06/27/1231200627.db2.gz MLMQJYZZDHRETC-QGZVFWFLSA-N 1 2 336.386 2.299 20 30 EEEDLO CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc(C(F)F)[nH]n3)C2)C1 ZINC001040388308 1231200629 /nfs/dbraw/zinc/20/06/29/1231200629.db2.gz MLMQJYZZDHRETC-QGZVFWFLSA-N 1 2 336.386 2.299 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccon4)[C@H]3C2)cc1 ZINC001042177904 1231938363 /nfs/dbraw/zinc/93/83/63/1231938363.db2.gz ACSMHTDJFNGTEZ-APWZRJJASA-N 1 2 335.407 2.393 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccon4)[C@H]3C2)cc1 ZINC001042177904 1231938365 /nfs/dbraw/zinc/93/83/65/1231938365.db2.gz ACSMHTDJFNGTEZ-APWZRJJASA-N 1 2 335.407 2.393 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4nccn4C)[C@H]3C2)cc1 ZINC001042180005 1231939688 /nfs/dbraw/zinc/93/96/88/1231939688.db2.gz RMZSJGNHTRPZSM-HKUYNNGSSA-N 1 2 348.450 2.138 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](Cc4nccn4C)[C@H]3C2)cc1 ZINC001042180005 1231939691 /nfs/dbraw/zinc/93/96/91/1231939691.db2.gz RMZSJGNHTRPZSM-HKUYNNGSSA-N 1 2 348.450 2.138 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3cn(C(C)C)nn3)[C@H]2C1 ZINC001042188110 1231945278 /nfs/dbraw/zinc/94/52/78/1231945278.db2.gz PXILRNGSLGBGQE-RDJZCZTQSA-N 1 2 345.491 2.494 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3cn(C(C)C)nn3)[C@H]2C1 ZINC001042188110 1231945281 /nfs/dbraw/zinc/94/52/81/1231945281.db2.gz PXILRNGSLGBGQE-RDJZCZTQSA-N 1 2 345.491 2.494 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]3CC[N@H+](Cc4cnon4)[C@H]3C2)CC1 ZINC001042216028 1231960552 /nfs/dbraw/zinc/96/05/52/1231960552.db2.gz KUTQPCNAARMEHH-YOEHRIQHSA-N 1 2 330.432 2.239 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4cnon4)[C@H]3C2)CC1 ZINC001042216028 1231960555 /nfs/dbraw/zinc/96/05/55/1231960555.db2.gz KUTQPCNAARMEHH-YOEHRIQHSA-N 1 2 330.432 2.239 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4cn(CC)nn4)[C@@H]3C2)C1 ZINC001042224014 1231966053 /nfs/dbraw/zinc/96/60/53/1231966053.db2.gz IHBSUQQVTQXIHL-DOTOQJQBSA-N 1 2 343.475 2.077 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@H+](Cc4cn(CC)nn4)[C@@H]3C2)C1 ZINC001042224014 1231966056 /nfs/dbraw/zinc/96/60/56/1231966056.db2.gz IHBSUQQVTQXIHL-DOTOQJQBSA-N 1 2 343.475 2.077 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ncnn4CC)[C@H]3C2)C1 ZINC001042224934 1231966848 /nfs/dbraw/zinc/96/68/48/1231966848.db2.gz SVXGCOPCHQEVTG-CVEARBPZSA-N 1 2 343.475 2.077 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4ncnn4CC)[C@H]3C2)C1 ZINC001042224934 1231966851 /nfs/dbraw/zinc/96/68/51/1231966851.db2.gz SVXGCOPCHQEVTG-CVEARBPZSA-N 1 2 343.475 2.077 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](Cc3cccc(COC)c3)C2)c1 ZINC001043822822 1232592125 /nfs/dbraw/zinc/59/21/25/1232592125.db2.gz ZACWORQWCHJLGK-UHFFFAOYSA-N 1 2 349.434 2.166 20 30 EEEDLO CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)CC1 ZINC001045506397 1233784462 /nfs/dbraw/zinc/78/44/62/1233784462.db2.gz MKQZYVGTFASJAO-PBHICJAKSA-N 1 2 328.460 2.070 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC001045617188 1233861408 /nfs/dbraw/zinc/86/14/08/1233861408.db2.gz QWUBMUNZPWMNJY-CYBMUJFWSA-N 1 2 336.867 2.238 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC001045617188 1233861410 /nfs/dbraw/zinc/86/14/10/1233861410.db2.gz QWUBMUNZPWMNJY-CYBMUJFWSA-N 1 2 336.867 2.238 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC000800365470 1234076512 /nfs/dbraw/zinc/07/65/12/1234076512.db2.gz YLGQYUHKPDCYFU-MELADBBJSA-N 1 2 326.437 2.339 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC000800365470 1234076515 /nfs/dbraw/zinc/07/65/15/1234076515.db2.gz YLGQYUHKPDCYFU-MELADBBJSA-N 1 2 326.437 2.339 20 30 EEEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CC3CCCCCC3)CC2)C1 ZINC001046065745 1234398182 /nfs/dbraw/zinc/39/81/82/1234398182.db2.gz DEBYUUBBQQKLGP-SFHVURJKSA-N 1 2 332.492 2.089 20 30 EEEDLO CC1(C)CCCC[C@H]1CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046086511 1234423012 /nfs/dbraw/zinc/42/30/12/1234423012.db2.gz JIMDGPFYYIBWEF-ROUUACIJSA-N 1 2 346.519 2.335 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)C2CC(OCC)C2)C1 ZINC001046283853 1234630075 /nfs/dbraw/zinc/63/00/75/1234630075.db2.gz NDVCFNUGTTZNBO-PIMMBPRGSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)C2CC(OCC)C2)C1 ZINC001046283853 1234630079 /nfs/dbraw/zinc/63/00/79/1234630079.db2.gz NDVCFNUGTTZNBO-PIMMBPRGSA-N 1 2 345.281 2.291 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@@H+](Cc2snnc2C)C1 ZINC001046373627 1234722384 /nfs/dbraw/zinc/72/23/84/1234722384.db2.gz DOOGFUJKPCNGET-QGZVFWFLSA-N 1 2 345.472 2.228 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@H+](Cc2snnc2C)C1 ZINC001046373627 1234722387 /nfs/dbraw/zinc/72/23/87/1234722387.db2.gz DOOGFUJKPCNGET-QGZVFWFLSA-N 1 2 345.472 2.228 20 30 EEEDLO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2nccn21 ZINC001413205445 1234743410 /nfs/dbraw/zinc/74/34/10/1234743410.db2.gz MZAHTTFSXYXOIT-KBRIMQKVSA-N 1 2 335.411 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cn3c(n2)CC[C@H](C)C3)C1 ZINC001046417223 1234779109 /nfs/dbraw/zinc/77/91/09/1234779109.db2.gz CLOQXUDTYIMFLE-SJCJKPOMSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cn3c(n2)CC[C@H](C)C3)C1 ZINC001046417223 1234779112 /nfs/dbraw/zinc/77/91/12/1234779112.db2.gz CLOQXUDTYIMFLE-SJCJKPOMSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001046571212 1234951933 /nfs/dbraw/zinc/95/19/33/1234951933.db2.gz BOXXKNSEHMIQCO-CZUORRHYSA-N 1 2 349.853 2.297 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCN(CC(F)F)C2)C1 ZINC001046571212 1234951936 /nfs/dbraw/zinc/95/19/36/1234951936.db2.gz BOXXKNSEHMIQCO-CZUORRHYSA-N 1 2 349.853 2.297 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001046632097 1235015445 /nfs/dbraw/zinc/01/54/45/1235015445.db2.gz RIHVEEIXVGSQJW-JKIFEVAISA-N 1 2 335.473 2.123 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2ncc(C)s2)C1 ZINC001046632097 1235015448 /nfs/dbraw/zinc/01/54/48/1235015448.db2.gz RIHVEEIXVGSQJW-JKIFEVAISA-N 1 2 335.473 2.123 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001067711821 1249415352 /nfs/dbraw/zinc/41/53/52/1249415352.db2.gz JSBHTJPARBENHL-CLCXKQKWSA-N 1 2 346.475 2.422 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001067711821 1249415361 /nfs/dbraw/zinc/41/53/61/1249415361.db2.gz JSBHTJPARBENHL-CLCXKQKWSA-N 1 2 346.475 2.422 20 30 EEEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CC)c(CCC)s2)C1 ZINC001047624662 1236304455 /nfs/dbraw/zinc/30/44/55/1236304455.db2.gz VUKVMBAKYRKBDO-HOTGVXAUSA-N 1 2 348.512 2.403 20 30 EEEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CC)c(CCC)s2)C1 ZINC001047624662 1236304461 /nfs/dbraw/zinc/30/44/61/1236304461.db2.gz VUKVMBAKYRKBDO-HOTGVXAUSA-N 1 2 348.512 2.403 20 30 EEEDLO CC(C)(C)CCC(=O)NCC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC001096290253 1237167353 /nfs/dbraw/zinc/16/73/53/1237167353.db2.gz ZGYRNHVEPGZLPG-UHFFFAOYSA-N 1 2 343.475 2.018 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001056056211 1238650831 /nfs/dbraw/zinc/65/08/31/1238650831.db2.gz NLXWOOZMMBDNFU-SJORKVTESA-N 1 2 344.459 2.032 20 30 EEEDLO C=C1CCC(C(=O)N(C)CCCN(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001067851800 1249770533 /nfs/dbraw/zinc/77/05/33/1249770533.db2.gz RISUDWAVDVMYKI-UHFFFAOYSA-N 1 2 346.475 2.327 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001056725641 1239732777 /nfs/dbraw/zinc/73/27/77/1239732777.db2.gz YTLQLKVNMRWSMM-YQQAZPJKSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001056796573 1239796094 /nfs/dbraw/zinc/79/60/94/1239796094.db2.gz YWHQMPODNSZJDE-VYDXJSESSA-N 1 2 330.432 2.169 20 30 EEEDLO N#Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2nccs2)[nH]1 ZINC001049424180 1240871546 /nfs/dbraw/zinc/87/15/46/1240871546.db2.gz AHFQJWYLOXQEFY-LSDHHAIUSA-N 1 2 341.440 2.222 20 30 EEEDLO N#Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2nccs2)[nH]1 ZINC001049424180 1240871548 /nfs/dbraw/zinc/87/15/48/1240871548.db2.gz AHFQJWYLOXQEFY-LSDHHAIUSA-N 1 2 341.440 2.222 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cc(OCC)no2)CC1 ZINC001000951078 1241291451 /nfs/dbraw/zinc/29/14/51/1241291451.db2.gz RMAVBAPPCWJLNH-UHFFFAOYSA-N 1 2 325.796 2.188 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cc(OCC)no2)CC1 ZINC001000951078 1241291459 /nfs/dbraw/zinc/29/14/59/1241291459.db2.gz RMAVBAPPCWJLNH-UHFFFAOYSA-N 1 2 325.796 2.188 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N(CCC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001096544894 1241356403 /nfs/dbraw/zinc/35/64/03/1241356403.db2.gz NLFTZAYCRVTKOE-IBGZPJMESA-N 1 2 346.475 2.320 20 30 EEEDLO N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001049627072 1241686323 /nfs/dbraw/zinc/68/63/23/1241686323.db2.gz PBZWSTVANPILMO-ROUUACIJSA-N 1 2 335.411 2.075 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@@H]2CC23CC3)CC1 ZINC001001204184 1241819669 /nfs/dbraw/zinc/81/96/69/1241819669.db2.gz YWCCQARCVFMQPD-ZDUSSCGKSA-N 1 2 325.250 2.443 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CC23CC3)CC1 ZINC001001204184 1241819677 /nfs/dbraw/zinc/81/96/77/1241819677.db2.gz YWCCQARCVFMQPD-ZDUSSCGKSA-N 1 2 325.250 2.443 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ncnn1CC ZINC001049691882 1241890232 /nfs/dbraw/zinc/89/02/32/1241890232.db2.gz CFXOUUAPNGEQOR-GPMSIDNRSA-N 1 2 345.491 2.466 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncnn1CC ZINC001049691882 1241890249 /nfs/dbraw/zinc/89/02/49/1241890249.db2.gz CFXOUUAPNGEQOR-GPMSIDNRSA-N 1 2 345.491 2.466 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2cn(C)nn2)CC1 ZINC001049696482 1241903466 /nfs/dbraw/zinc/90/34/66/1241903466.db2.gz YQKPLIJZPNQSMH-QZTJIDSGSA-N 1 2 343.475 2.127 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2cn(C)nn2)CC1 ZINC001049696482 1241903477 /nfs/dbraw/zinc/90/34/77/1241903477.db2.gz YQKPLIJZPNQSMH-QZTJIDSGSA-N 1 2 343.475 2.127 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C(=O)NC)c1)C2 ZINC001096571731 1241963352 /nfs/dbraw/zinc/96/33/52/1241963352.db2.gz CBAHJENFCXHQRK-PMPSAXMXSA-N 1 2 347.846 2.134 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C(=O)NC)c1)C2 ZINC001096571731 1241963358 /nfs/dbraw/zinc/96/33/58/1241963358.db2.gz CBAHJENFCXHQRK-PMPSAXMXSA-N 1 2 347.846 2.134 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC001001303532 1242017642 /nfs/dbraw/zinc/01/76/42/1242017642.db2.gz GQFRWAKPIARKII-OCCSQVGLSA-N 1 2 343.265 2.068 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC001001303532 1242017646 /nfs/dbraw/zinc/01/76/46/1242017646.db2.gz GQFRWAKPIARKII-OCCSQVGLSA-N 1 2 343.265 2.068 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001073443029 1242488973 /nfs/dbraw/zinc/48/89/73/1242488973.db2.gz YVWICBUCAJFEPR-MRXNPFEDSA-N 1 2 346.475 2.360 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H](Nc1[nH+]cnc2c1cnn2C)C1CC1 ZINC001096738984 1243207592 /nfs/dbraw/zinc/20/75/92/1243207592.db2.gz CLYMXLRPNAHNSB-CQSZACIVSA-N 1 2 328.420 2.026 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@H](Nc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001096779185 1243246942 /nfs/dbraw/zinc/24/69/42/1243246942.db2.gz RWRAHITVRCPULS-WFASDCNBSA-N 1 2 346.479 2.155 20 30 EEEDLO N#Cc1ccc(NC2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)nc1 ZINC001057391261 1243569941 /nfs/dbraw/zinc/56/99/41/1243569941.db2.gz MDXWSLGKQPMJDK-UHFFFAOYSA-N 1 2 346.394 2.318 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001097089440 1243689212 /nfs/dbraw/zinc/68/92/12/1243689212.db2.gz XCCXWHMSNPCUAD-KKUMJFAQSA-N 1 2 343.475 2.126 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001097089440 1243689223 /nfs/dbraw/zinc/68/92/23/1243689223.db2.gz XCCXWHMSNPCUAD-KKUMJFAQSA-N 1 2 343.475 2.126 20 30 EEEDLO Cc1nsc(N[C@H]2C[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)c1C#N ZINC001097105216 1243705233 /nfs/dbraw/zinc/70/52/33/1243705233.db2.gz RILFJBIHLBFSBD-DRZSPHRISA-N 1 2 344.444 2.230 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC2(C1)CC[NH+](Cc1nnc(C)s1)CC2 ZINC001050616431 1243965683 /nfs/dbraw/zinc/96/56/83/1243965683.db2.gz AJVYWTPBBIZKMN-UHFFFAOYSA-N 1 2 334.489 2.483 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC2(C1)CC[NH+](Cc1ncnn1CCC)CC2 ZINC001050618534 1243969489 /nfs/dbraw/zinc/96/94/89/1243969489.db2.gz XCPBJFFAINKYBS-UHFFFAOYSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3ccccc3n1)C2 ZINC001097348576 1244030651 /nfs/dbraw/zinc/03/06/51/1244030651.db2.gz VTTNKBFLBNHMAR-OAGGEKHMSA-N 1 2 344.846 2.351 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3ccccc3n1)C2 ZINC001097348576 1244030658 /nfs/dbraw/zinc/03/06/58/1244030658.db2.gz VTTNKBFLBNHMAR-OAGGEKHMSA-N 1 2 344.846 2.351 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[NH+](Cc2nncs2)CC3)C1 ZINC001050657624 1244054512 /nfs/dbraw/zinc/05/45/12/1244054512.db2.gz SAYRRLTZCDKRED-UHFFFAOYSA-N 1 2 332.473 2.319 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001050741879 1244260663 /nfs/dbraw/zinc/26/06/63/1244260663.db2.gz JNFGKUKWYBBIKP-JKSUJKDBSA-N 1 2 346.475 2.229 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2cccc(OC)c2o1 ZINC001051085064 1244957542 /nfs/dbraw/zinc/95/75/42/1244957542.db2.gz ZWZFDWRVMZRBFZ-OAHLLOKOSA-N 1 2 344.411 2.448 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2cccc(OC)c2o1 ZINC001051085064 1244957548 /nfs/dbraw/zinc/95/75/48/1244957548.db2.gz ZWZFDWRVMZRBFZ-OAHLLOKOSA-N 1 2 344.411 2.448 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnn(CCCC)c1CC ZINC001051201283 1245382366 /nfs/dbraw/zinc/38/23/66/1245382366.db2.gz ILPOGLJVOPSOPT-INIZCTEOSA-N 1 2 348.491 2.252 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnn(CCCC)c1CC ZINC001051201283 1245382372 /nfs/dbraw/zinc/38/23/72/1245382372.db2.gz ILPOGLJVOPSOPT-INIZCTEOSA-N 1 2 348.491 2.252 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn([C@@H](C)CC)c1C ZINC001051202184 1245383275 /nfs/dbraw/zinc/38/32/75/1245383275.db2.gz GERKRDCKYDLYFT-GOEBONIOSA-N 1 2 334.464 2.169 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn([C@@H](C)CC)c1C ZINC001051202184 1245383280 /nfs/dbraw/zinc/38/32/80/1245383280.db2.gz GERKRDCKYDLYFT-GOEBONIOSA-N 1 2 334.464 2.169 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C)cc1OC ZINC001051217492 1245403431 /nfs/dbraw/zinc/40/34/31/1245403431.db2.gz SWRGQTMOCUITGA-INIZCTEOSA-N 1 2 332.444 2.400 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C)cc1OC ZINC001051217492 1245403434 /nfs/dbraw/zinc/40/34/34/1245403434.db2.gz SWRGQTMOCUITGA-INIZCTEOSA-N 1 2 332.444 2.400 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OC)c(OCC)c1 ZINC001051235251 1245423563 /nfs/dbraw/zinc/42/35/63/1245423563.db2.gz MDRUJLUZMSKCFK-INIZCTEOSA-N 1 2 348.443 2.101 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OC)c(OCC)c1 ZINC001051235251 1245423569 /nfs/dbraw/zinc/42/35/69/1245423569.db2.gz MDRUJLUZMSKCFK-INIZCTEOSA-N 1 2 348.443 2.101 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn2c(cccc2C)n1 ZINC001051241859 1245430230 /nfs/dbraw/zinc/43/02/30/1245430230.db2.gz ZBGRBZZVTJVXBO-MRXNPFEDSA-N 1 2 342.443 2.040 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cn2c(cccc2C)n1 ZINC001051241859 1245430235 /nfs/dbraw/zinc/43/02/35/1245430235.db2.gz ZBGRBZZVTJVXBO-MRXNPFEDSA-N 1 2 342.443 2.040 20 30 EEEDLO C=CC(C)(C)CC(=O)NCCN(CCC)c1[nH+]cnc2c1cnn2C ZINC001101189355 1245497924 /nfs/dbraw/zinc/49/79/24/1245497924.db2.gz DAGZKHDQURWGEO-UHFFFAOYSA-N 1 2 344.463 2.298 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001101253106 1245575503 /nfs/dbraw/zinc/57/55/03/1245575503.db2.gz FMSRIRUHFDXRCW-APWZRJJASA-N 1 2 345.491 2.496 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@@]2(C)C1 ZINC001101253106 1245575512 /nfs/dbraw/zinc/57/55/12/1245575512.db2.gz FMSRIRUHFDXRCW-APWZRJJASA-N 1 2 345.491 2.496 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]([C@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001051461305 1245748736 /nfs/dbraw/zinc/74/87/36/1245748736.db2.gz ZSQZYLBKAMGXFX-IRXDYDNUSA-N 1 2 346.475 2.373 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001051461289 1245749033 /nfs/dbraw/zinc/74/90/33/1245749033.db2.gz ZOFXOOYMMPYJCF-HUUCEWRRSA-N 1 2 332.448 2.052 20 30 EEEDLO C#CCCCCC(=O)NC[C@@H]1C[N@H+](Cc2nnc(C(C)C)[nH]2)C[C@H]1C ZINC001101893487 1246240117 /nfs/dbraw/zinc/24/01/17/1246240117.db2.gz CKEJLUZSFJBWKL-HZPDHXFCSA-N 1 2 345.491 2.306 20 30 EEEDLO C#CCCCCC(=O)NC[C@@H]1C[N@@H+](Cc2nnc(C(C)C)[nH]2)C[C@H]1C ZINC001101893487 1246240127 /nfs/dbraw/zinc/24/01/27/1246240127.db2.gz CKEJLUZSFJBWKL-HZPDHXFCSA-N 1 2 345.491 2.306 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCOC3(C[NH+](C[C@@H](OC)C4CCC4)C3)C2)C1 ZINC001053418022 1246309190 /nfs/dbraw/zinc/30/91/90/1246309190.db2.gz JKWSHYDVLYOAFH-QGZVFWFLSA-N 1 2 348.487 2.071 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccsc3)C2)CC1 ZINC001051974552 1246331223 /nfs/dbraw/zinc/33/12/23/1246331223.db2.gz HWWWAXNESGSSPQ-QGZVFWFLSA-N 1 2 333.501 2.085 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)C3(C(F)F)CC3)C2)CC1 ZINC001052027326 1246390966 /nfs/dbraw/zinc/39/09/66/1246390966.db2.gz DVDJKJPVUMZRRL-CYBMUJFWSA-N 1 2 347.837 2.003 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC(F)(F)C3)C2)CC1 ZINC001052036169 1246403808 /nfs/dbraw/zinc/40/38/08/1246403808.db2.gz GXYIDHIYWNXSJC-HOTGVXAUSA-N 1 2 341.446 2.216 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(F)c(C)cc3F)C2)CC1 ZINC001052037971 1246406478 /nfs/dbraw/zinc/40/64/78/1246406478.db2.gz VYUZXSMNFXVABK-OAHLLOKOSA-N 1 2 349.425 2.291 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc(Cl)cn1CC)CCO2 ZINC001053534473 1246442120 /nfs/dbraw/zinc/44/21/20/1246442120.db2.gz WSGHTPCBHFUPOC-UHFFFAOYSA-N 1 2 337.851 2.264 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc4[nH]ccc4s3)C2)CC1 ZINC001052113247 1246494853 /nfs/dbraw/zinc/49/48/53/1246494853.db2.gz QHSWSLNLMIISDH-CQSZACIVSA-N 1 2 344.484 2.248 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C)cc(OC)c1C)O2 ZINC001053624176 1246549508 /nfs/dbraw/zinc/54/95/08/1246549508.db2.gz LGFWNDFYAGSSMD-MRXNPFEDSA-N 1 2 344.455 2.461 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1Cc3ccccc31)O2 ZINC001053655863 1246598387 /nfs/dbraw/zinc/59/83/87/1246598387.db2.gz SCQDLLRRFZFQTI-FUHWJXTLSA-N 1 2 326.440 2.252 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccn(C(C)C)n1)O2 ZINC001053672074 1246621726 /nfs/dbraw/zinc/62/17/26/1246621726.db2.gz KTRGSHNZCFXUKA-OAHLLOKOSA-N 1 2 332.448 2.003 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc3[nH]c(C)nc31)O2 ZINC001053682361 1246638713 /nfs/dbraw/zinc/63/87/13/1246638713.db2.gz FJMKSHYIVLGQLG-CQSZACIVSA-N 1 2 340.427 2.021 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc3ccn(C)c3c1)O2 ZINC001053684314 1246644531 /nfs/dbraw/zinc/64/45/31/1246644531.db2.gz AYPKNTIIOFFKKE-QGZVFWFLSA-N 1 2 339.439 2.328 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1oc(CCC)nc1C)O2 ZINC001053686889 1246649151 /nfs/dbraw/zinc/64/91/51/1246649151.db2.gz BYTZSORSCPRUOZ-OAHLLOKOSA-N 1 2 347.459 2.475 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccccc1CCC)CO2 ZINC001053865576 1246934335 /nfs/dbraw/zinc/93/43/35/1246934335.db2.gz CPGCTHVLUTVXMY-KRWDZBQOSA-N 1 2 326.440 2.236 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc3c1O[C@@H](C)C3)CO2 ZINC001053874080 1246951275 /nfs/dbraw/zinc/95/12/75/1246951275.db2.gz RHQMIINUQFPJPD-HOCLYGCPSA-N 1 2 342.439 2.159 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1cccc(C3CC3)c1)CO2 ZINC001053879803 1246957062 /nfs/dbraw/zinc/95/70/62/1246957062.db2.gz ADRZCZCQNWDTRL-IBGZPJMESA-N 1 2 338.451 2.089 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326.440 2.140 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)C[C@H]1CCCO1 ZINC001230865518 1303510523 /nfs/dbraw/zinc/51/05/23/1303510523.db2.gz DNKIOZUNWPNCBE-RTBURBONSA-N 1 2 326.440 2.140 20 30 EEEDLO COCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001230880620 1303521197 /nfs/dbraw/zinc/52/11/97/1303521197.db2.gz ITCACNYYBKSGEE-MRXNPFEDSA-N 1 2 333.407 2.157 20 30 EEEDLO COCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001230880620 1303521200 /nfs/dbraw/zinc/52/12/00/1303521200.db2.gz ITCACNYYBKSGEE-MRXNPFEDSA-N 1 2 333.407 2.157 20 30 EEEDLO C=C(Cl)C[N@@H+](CCCNC(=O)c1ccn(C)n1)Cc1cccnc1 ZINC001230917387 1303544722 /nfs/dbraw/zinc/54/47/22/1303544722.db2.gz BCDURZOZTUXDHX-UHFFFAOYSA-N 1 2 347.850 2.190 20 30 EEEDLO C=C(Cl)C[N@H+](CCCNC(=O)c1ccn(C)n1)Cc1cccnc1 ZINC001230917387 1303544725 /nfs/dbraw/zinc/54/47/25/1303544725.db2.gz BCDURZOZTUXDHX-UHFFFAOYSA-N 1 2 347.850 2.190 20 30 EEEDLO CO[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001230936949 1303552470 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337.508 2.378 20 30 EEEDLO CCCCOCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001231367718 1303755276 /nfs/dbraw/zinc/75/52/76/1303755276.db2.gz DFGYZQZGDIRTNW-AWEZNQCLSA-N 1 2 335.473 2.469 20 30 EEEDLO CCCCOCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001231367718 1303755279 /nfs/dbraw/zinc/75/52/79/1303755279.db2.gz DFGYZQZGDIRTNW-AWEZNQCLSA-N 1 2 335.473 2.469 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1COCCN1c1cc(C)[nH+]c(CC)n1 ZINC001111714032 1303796935 /nfs/dbraw/zinc/79/69/35/1303796935.db2.gz QGKBHPPFJFFNMO-HNNXBMFYSA-N 1 2 332.448 2.025 20 30 EEEDLO C#Cc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1 ZINC001231655430 1303881301 /nfs/dbraw/zinc/88/13/01/1303881301.db2.gz NXTZRXCBTGQHAG-KRWDZBQOSA-N 1 2 330.428 2.082 20 30 EEEDLO C#Cc1cccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1 ZINC001231655430 1303881307 /nfs/dbraw/zinc/88/13/07/1303881307.db2.gz NXTZRXCBTGQHAG-KRWDZBQOSA-N 1 2 330.428 2.082 20 30 EEEDLO Cn1c[nH+]cc1CC(=O)NCC1(Nc2cccc(F)c2C#N)CCC1 ZINC001111825536 1303951226 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EEEDLO C=CCC1(C(=O)N2CCC[C@@](CO)(Nc3cc[nH+]c(C)n3)C2)CCC1 ZINC001112233054 1304356889 /nfs/dbraw/zinc/35/68/89/1304356889.db2.gz OJIBJHAFEMKUMP-LJQANCHMSA-N 1 2 344.459 2.297 20 30 EEEDLO CN(C)c1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)c(F)c1C#N ZINC001233102116 1304360642 /nfs/dbraw/zinc/36/06/42/1304360642.db2.gz PJZBAXNCJUDSER-UHFFFAOYSA-N 1 2 333.407 2.145 20 30 EEEDLO CN(C)c1ccc(C[N@H+]2CCOC3(CCOCC3)C2)c(F)c1C#N ZINC001233102116 1304360647 /nfs/dbraw/zinc/36/06/47/1304360647.db2.gz PJZBAXNCJUDSER-UHFFFAOYSA-N 1 2 333.407 2.145 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(c3nccnc3Cl)CC2)c(O)c1 ZINC001233383433 1304451453 /nfs/dbraw/zinc/45/14/53/1304451453.db2.gz HTHFWYVVXHNCLO-UHFFFAOYSA-N 1 2 329.791 2.029 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)CC1(C)C ZINC001112367461 1304498850 /nfs/dbraw/zinc/49/88/50/1304498850.db2.gz IHMZTDRSIPYYQQ-CQSZACIVSA-N 1 2 342.447 2.051 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)NC(C)(C)C ZINC001233801852 1304598400 /nfs/dbraw/zinc/59/84/00/1304598400.db2.gz SBEIFWZYWSCPLH-HZPDHXFCSA-N 1 2 335.492 2.016 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC(C)(C)C ZINC001233801852 1304598401 /nfs/dbraw/zinc/59/84/01/1304598401.db2.gz SBEIFWZYWSCPLH-HZPDHXFCSA-N 1 2 335.492 2.016 20 30 EEEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC1CCCCC1 ZINC001233947436 1304651682 /nfs/dbraw/zinc/65/16/82/1304651682.db2.gz MDDNZRKODJNWSE-AEFFLSMTSA-N 1 2 347.503 2.160 20 30 EEEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC1CCCCC1 ZINC001233947436 1304651690 /nfs/dbraw/zinc/65/16/90/1304651690.db2.gz MDDNZRKODJNWSE-AEFFLSMTSA-N 1 2 347.503 2.160 20 30 EEEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC1CCCCCC1 ZINC001233947234 1304651724 /nfs/dbraw/zinc/65/17/24/1304651724.db2.gz JMMSSSUQDPZHHO-SFHVURJKSA-N 1 2 347.503 2.162 20 30 EEEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC1CCCCCC1 ZINC001233947234 1304651731 /nfs/dbraw/zinc/65/17/31/1304651731.db2.gz JMMSSSUQDPZHHO-SFHVURJKSA-N 1 2 347.503 2.162 20 30 EEEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cccc(OCC)n1 ZINC001233966441 1304660544 /nfs/dbraw/zinc/66/05/44/1304660544.db2.gz LZPRQKTZFXSXLA-KRWDZBQOSA-N 1 2 329.444 2.317 20 30 EEEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cccc(OCC)n1 ZINC001233966441 1304660547 /nfs/dbraw/zinc/66/05/47/1304660547.db2.gz LZPRQKTZFXSXLA-KRWDZBQOSA-N 1 2 329.444 2.317 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001233977201 1304665769 /nfs/dbraw/zinc/66/57/69/1304665769.db2.gz MEUDKAPOHSLOGP-QFBILLFUSA-N 1 2 345.418 2.057 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001233977201 1304665773 /nfs/dbraw/zinc/66/57/73/1304665773.db2.gz MEUDKAPOHSLOGP-QFBILLFUSA-N 1 2 345.418 2.057 20 30 EEEDLO O=C(CC#Cc1ccccc1)N[C@@H]1[C@H]2C[N@H+](Cc3cscn3)C[C@H]21 ZINC001115271197 1304887230 /nfs/dbraw/zinc/88/72/30/1304887230.db2.gz DFMNWHGKCBVATJ-DZFIZOCASA-N 1 2 337.448 2.131 20 30 EEEDLO O=C(CC#Cc1ccccc1)N[C@@H]1[C@H]2C[N@@H+](Cc3cscn3)C[C@H]21 ZINC001115271197 1304887233 /nfs/dbraw/zinc/88/72/33/1304887233.db2.gz DFMNWHGKCBVATJ-DZFIZOCASA-N 1 2 337.448 2.131 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1C(F)(F)F ZINC001234517572 1304949342 /nfs/dbraw/zinc/94/93/42/1304949342.db2.gz MYDVRBGXKNCUKW-LBPRGKRZSA-N 1 2 344.333 2.095 20 30 EEEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1C(F)(F)F ZINC001234517572 1304949346 /nfs/dbraw/zinc/94/93/46/1304949346.db2.gz MYDVRBGXKNCUKW-LBPRGKRZSA-N 1 2 344.333 2.095 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)C(C)C ZINC001234554636 1304965303 /nfs/dbraw/zinc/96/53/03/1304965303.db2.gz MBVRAOLLMQGFGM-CQSZACIVSA-N 1 2 343.899 2.165 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)C(C)C ZINC001234554636 1304965304 /nfs/dbraw/zinc/96/53/04/1304965304.db2.gz MBVRAOLLMQGFGM-CQSZACIVSA-N 1 2 343.899 2.165 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NCCC[N@@H+](C)Cc1csnc1OC ZINC001235231427 1305159397 /nfs/dbraw/zinc/15/93/97/1305159397.db2.gz ZANPJPHMDYZRPT-CYBMUJFWSA-N 1 2 341.477 2.071 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NCCC[N@H+](C)Cc1csnc1OC ZINC001235231427 1305159400 /nfs/dbraw/zinc/15/94/00/1305159400.db2.gz ZANPJPHMDYZRPT-CYBMUJFWSA-N 1 2 341.477 2.071 20 30 EEEDLO CC#CC[NH2+]C1(CNC(=O)c2cncc3nc[nH]c32)CCCCC1 ZINC001115547412 1305320469 /nfs/dbraw/zinc/32/04/69/1305320469.db2.gz XURNAINUUNWHKK-UHFFFAOYSA-N 1 2 325.416 2.004 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)cn1 ZINC001237433951 1305931981 /nfs/dbraw/zinc/93/19/81/1305931981.db2.gz CIVKFETWKVYCPJ-UHFFFAOYSA-N 1 2 336.395 2.062 20 30 EEEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccn2nccc2c1 ZINC001237541679 1305973551 /nfs/dbraw/zinc/97/35/51/1305973551.db2.gz SRGRDZVAMHJNNP-GOSISDBHSA-N 1 2 337.427 2.370 20 30 EEEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccn2nccc2c1 ZINC001237541679 1305973552 /nfs/dbraw/zinc/97/35/52/1305973552.db2.gz SRGRDZVAMHJNNP-GOSISDBHSA-N 1 2 337.427 2.370 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001120435389 1309536887 /nfs/dbraw/zinc/53/68/87/1309536887.db2.gz VIVGTHDTFBOOTG-LBPRGKRZSA-N 1 2 334.468 2.107 20 30 EEEDLO Cc1cc(N)[nH+]cc1-c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C ZINC001242077298 1309605754 /nfs/dbraw/zinc/60/57/54/1309605754.db2.gz CZBFWNRRSJFSIK-LLVKDONJSA-N 1 2 325.372 2.378 20 30 EEEDLO C[C@H](CN(C)C(=O)CCc1[nH+]ccn1C)Nc1cccc(F)c1C#N ZINC001120966088 1309861191 /nfs/dbraw/zinc/86/11/91/1309861191.db2.gz UGFLWSPKVQUAKI-CYBMUJFWSA-N 1 2 343.406 2.322 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H](CO)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001122612628 1310356167 /nfs/dbraw/zinc/35/61/67/1310356167.db2.gz JLOSEXGXJYCIMU-CQSZACIVSA-N 1 2 334.464 2.400 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C[C@@H]1C ZINC001123291683 1310517534 /nfs/dbraw/zinc/51/75/34/1310517534.db2.gz YHGPWIFOAYYRKO-GXTWGEPZSA-N 1 2 332.452 2.004 20 30 EEEDLO CCc1cc(C#N)ccc1C[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC001248753226 1310931124 /nfs/dbraw/zinc/93/11/24/1310931124.db2.gz XMRUIZXRDGFQDG-UHFFFAOYSA-N 1 2 334.423 2.474 20 30 EEEDLO C#CCOc1ccc(C[N@H+]2Cc3nccn3C[C@@H](COC)C2)cc1 ZINC001138559156 1314629782 /nfs/dbraw/zinc/62/97/82/1314629782.db2.gz FBRQKRODYZOINO-KRWDZBQOSA-N 1 2 325.412 2.174 20 30 EEEDLO C#CCOc1ccc(C[N@@H+]2Cc3nccn3C[C@@H](COC)C2)cc1 ZINC001138559156 1314629786 /nfs/dbraw/zinc/62/97/86/1314629786.db2.gz FBRQKRODYZOINO-KRWDZBQOSA-N 1 2 325.412 2.174 20 30 EEEDLO C=CC(C)(C)C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000837865158 1315114192 /nfs/dbraw/zinc/11/41/92/1315114192.db2.gz LDWVIDUYBFPHFU-UHFFFAOYSA-N 1 2 336.457 2.148 20 30 EEEDLO C[C@H](CO)N(C)[NH+]=Cc1nc(N(C)C)n(-c2ccccc2)c1Cl ZINC000842542833 1315721825 /nfs/dbraw/zinc/72/18/25/1315721825.db2.gz DNAWHJUUKSNRGJ-GFCCVEGCSA-N 1 2 335.839 2.238 20 30 EEEDLO C=CCOc1ccc(C(=O)O[C@@H](COC)C[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000842968958 1315807178 /nfs/dbraw/zinc/80/71/78/1315807178.db2.gz XEBJYQSCRWPGGW-MAUKXSAKSA-N 1 2 349.427 2.144 20 30 EEEDLO C=CCOc1ccc(C(=O)O[C@@H](COC)C[N@H+]2CCO[C@@H](C)C2)cc1 ZINC000842968958 1315807181 /nfs/dbraw/zinc/80/71/81/1315807181.db2.gz XEBJYQSCRWPGGW-MAUKXSAKSA-N 1 2 349.427 2.144 20 30 EEEDLO C=CCC1(C(=O)NCC[NH2+]Cc2ncc(C(C)C)o2)CCOCC1 ZINC001149325058 1315946224 /nfs/dbraw/zinc/94/62/24/1315946224.db2.gz JENUINYIRBAAON-UHFFFAOYSA-N 1 2 335.448 2.377 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H]1C[N@H+](Cc2ccns2)CCCO1 ZINC001149772510 1316042623 /nfs/dbraw/zinc/04/26/23/1316042623.db2.gz RGDQDHJSVIRCTK-AWEZNQCLSA-N 1 2 337.489 2.453 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccns2)CCCO1 ZINC001149772510 1316042625 /nfs/dbraw/zinc/04/26/25/1316042625.db2.gz RGDQDHJSVIRCTK-AWEZNQCLSA-N 1 2 337.489 2.453 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C2(CC)CCOCC2)C1 ZINC001150516973 1316285845 /nfs/dbraw/zinc/28/58/45/1316285845.db2.gz IVPVKYUUTLLBEJ-HNNXBMFYSA-N 1 2 344.883 2.153 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C2(CC)CCOCC2)C1 ZINC001150516973 1316285851 /nfs/dbraw/zinc/28/58/51/1316285851.db2.gz IVPVKYUUTLLBEJ-HNNXBMFYSA-N 1 2 344.883 2.153 20 30 EEEDLO CC[N@H+](Cc1cn(C(C)C)nn1)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153281353 1316803517 /nfs/dbraw/zinc/80/35/17/1316803517.db2.gz LWATZPRWLFTENI-OAHLLOKOSA-N 1 2 333.480 2.235 20 30 EEEDLO CC[N@@H+](Cc1cn(C(C)C)nn1)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153281353 1316803518 /nfs/dbraw/zinc/80/35/18/1316803518.db2.gz LWATZPRWLFTENI-OAHLLOKOSA-N 1 2 333.480 2.235 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H](C)[N@H+](CC)Cc1nonc1C ZINC001153830699 1316894950 /nfs/dbraw/zinc/89/49/50/1316894950.db2.gz CTWJQDQZAXWTSS-CYBMUJFWSA-N 1 2 331.420 2.006 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nonc1C ZINC001153830699 1316894953 /nfs/dbraw/zinc/89/49/53/1316894953.db2.gz CTWJQDQZAXWTSS-CYBMUJFWSA-N 1 2 331.420 2.006 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H](C)[N@H+](CC)Cc2ncc(C)s2)c1 ZINC001155186424 1317492270 /nfs/dbraw/zinc/49/22/70/1317492270.db2.gz RIGAHASHSSVSQM-CYBMUJFWSA-N 1 2 342.468 2.468 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ncc(C)s2)c1 ZINC001155186424 1317492277 /nfs/dbraw/zinc/49/22/77/1317492277.db2.gz RIGAHASHSSVSQM-CYBMUJFWSA-N 1 2 342.468 2.468 20 30 EEEDLO C=CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2ncccn2)CCOCC1 ZINC001156641681 1318129467 /nfs/dbraw/zinc/12/94/67/1318129467.db2.gz KPYSTPUTZVUZRA-MRXNPFEDSA-N 1 2 346.475 2.176 20 30 EEEDLO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2ncccn2)CCOCC1 ZINC001156641681 1318129477 /nfs/dbraw/zinc/12/94/77/1318129477.db2.gz KPYSTPUTZVUZRA-MRXNPFEDSA-N 1 2 346.475 2.176 20 30 EEEDLO COC(=O)c1scc(C#N)c1NC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156964239 1318314862 /nfs/dbraw/zinc/31/48/62/1318314862.db2.gz HVOVUJOGFDELRW-UHFFFAOYSA-N 1 2 341.352 2.117 20 30 EEEDLO N#Cc1ccccc1OC1C[NH+](C2CCN(c3ncccn3)CC2)C1 ZINC001256066157 1318632461 /nfs/dbraw/zinc/63/24/61/1318632461.db2.gz WBSPEICXIJOBFK-UHFFFAOYSA-N 1 2 335.411 2.080 20 30 EEEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncccn1 ZINC001157850775 1318904429 /nfs/dbraw/zinc/90/44/29/1318904429.db2.gz SOKYWMQKHBTTTQ-QGZVFWFLSA-N 1 2 328.460 2.483 20 30 EEEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncccn1 ZINC001157850775 1318904430 /nfs/dbraw/zinc/90/44/30/1318904430.db2.gz SOKYWMQKHBTTTQ-QGZVFWFLSA-N 1 2 328.460 2.483 20 30 EEEDLO C=CCCOCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc(C)on1 ZINC001158935796 1319515684 /nfs/dbraw/zinc/51/56/84/1319515684.db2.gz CWDGGQXKDMPHPO-QGZVFWFLSA-N 1 2 335.448 2.389 20 30 EEEDLO C=CCCOCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc(C)on1 ZINC001158935796 1319515689 /nfs/dbraw/zinc/51/56/89/1319515689.db2.gz CWDGGQXKDMPHPO-QGZVFWFLSA-N 1 2 335.448 2.389 20 30 EEEDLO C=CC[N@H+]1CC=C(CCNC(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC001160845448 1320289582 /nfs/dbraw/zinc/28/95/82/1320289582.db2.gz KIDPAULMBAUONZ-UHFFFAOYSA-N 1 2 337.427 2.410 20 30 EEEDLO C=CC[N@@H+]1CC=C(CCNC(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC001160845448 1320289586 /nfs/dbraw/zinc/28/95/86/1320289586.db2.gz KIDPAULMBAUONZ-UHFFFAOYSA-N 1 2 337.427 2.410 20 30 EEEDLO CC#CC[N@H+]1CC=C(CCNC(=O)c2[nH]nc3c2C[C@@H](C)CC3)CC1 ZINC001161617847 1320560249 /nfs/dbraw/zinc/56/02/49/1320560249.db2.gz VDROIUJSIGKVSL-HNNXBMFYSA-N 1 2 340.471 2.310 20 30 EEEDLO CC#CC[N@@H+]1CC=C(CCNC(=O)c2[nH]nc3c2C[C@@H](C)CC3)CC1 ZINC001161617847 1320560254 /nfs/dbraw/zinc/56/02/54/1320560254.db2.gz VDROIUJSIGKVSL-HNNXBMFYSA-N 1 2 340.471 2.310 20 30 EEEDLO Cc1cnc(C[NH2+]CCN(CCc2ccccc2)C(=O)[C@H](C)C#N)o1 ZINC001162740950 1320946395 /nfs/dbraw/zinc/94/63/95/1320946395.db2.gz BPMLLNNNODFDJN-OAHLLOKOSA-N 1 2 340.427 2.304 20 30 EEEDLO C#CC[NH2+]CCN(CCc1ccccc1)C(=O)C(F)C(F)(F)F ZINC001162817061 1320967274 /nfs/dbraw/zinc/96/72/74/1320967274.db2.gz NKRPJCMFPNVUDJ-CQSZACIVSA-N 1 2 330.325 2.181 20 30 EEEDLO C#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](F)C(F)(F)F ZINC001162817061 1320967276 /nfs/dbraw/zinc/96/72/76/1320967276.db2.gz NKRPJCMFPNVUDJ-CQSZACIVSA-N 1 2 330.325 2.181 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NCCC2(C[NH2+]CC(F)(F)C(F)F)CC2)c1 ZINC001163975562 1321260188 /nfs/dbraw/zinc/26/01/88/1321260188.db2.gz DALWORWUDHZLOO-UHFFFAOYSA-N 1 2 346.328 2.276 20 30 EEEDLO C#CCCCCC(=O)NCCC1(C[NH2+]Cc2noc(CC)n2)CC1 ZINC001164166274 1321307194 /nfs/dbraw/zinc/30/71/94/1321307194.db2.gz VKFOMLBLPGMFAL-UHFFFAOYSA-N 1 2 332.448 2.202 20 30 EEEDLO C=CCn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1C(C)(F)F ZINC001262955672 1322405324 /nfs/dbraw/zinc/40/53/24/1322405324.db2.gz OCOXLNBXQLHUIW-UHFFFAOYSA-N 1 2 334.374 2.297 20 30 EEEDLO C=C(C)Cn1c([C@H](C)SC)nnc1N(C)CC[NH+]1CCOCC1 ZINC001263327411 1322461874 /nfs/dbraw/zinc/46/18/74/1322461874.db2.gz MPYDMAYDKUJYJA-AWEZNQCLSA-N 1 2 339.509 2.047 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCOCC)C1 ZINC001206191724 1323421312 /nfs/dbraw/zinc/42/13/12/1323421312.db2.gz VADJTNYVCHSNJX-DGCLKSJQSA-N 1 2 333.270 2.148 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCOCC)C1 ZINC001206191724 1323421321 /nfs/dbraw/zinc/42/13/21/1323421321.db2.gz VADJTNYVCHSNJX-DGCLKSJQSA-N 1 2 333.270 2.148 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CC(=C)Br)C[C@H]1C ZINC001206778590 1323590270 /nfs/dbraw/zinc/59/02/70/1323590270.db2.gz AMTSXOVMHBSIAX-TZMCWYRMSA-N 1 2 345.281 2.314 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+](CC(=C)Br)C[C@H]1C ZINC001206778590 1323590276 /nfs/dbraw/zinc/59/02/76/1323590276.db2.gz AMTSXOVMHBSIAX-TZMCWYRMSA-N 1 2 345.281 2.314 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206912399 1323694850 /nfs/dbraw/zinc/69/48/50/1323694850.db2.gz JTGKKGZRERNSHK-RDTXWAMCSA-N 1 2 327.403 2.437 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206912399 1323694855 /nfs/dbraw/zinc/69/48/55/1323694855.db2.gz JTGKKGZRERNSHK-RDTXWAMCSA-N 1 2 327.403 2.437 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](Cc3cnnn3CC)C2)CCC1 ZINC001266237115 1323821087 /nfs/dbraw/zinc/82/10/87/1323821087.db2.gz QRFBFCVCQDPOHM-HNNXBMFYSA-N 1 2 331.464 2.125 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CCC[N@H+](Cc3cnnn3CC)C2)CCC1 ZINC001266237115 1323821094 /nfs/dbraw/zinc/82/10/94/1323821094.db2.gz QRFBFCVCQDPOHM-HNNXBMFYSA-N 1 2 331.464 2.125 20 30 EEEDLO C=CCN(CC[NH+]1CCN(c2cccnn2)CC1)C(=O)OC(C)(C)C ZINC001207205150 1323904266 /nfs/dbraw/zinc/90/42/66/1323904266.db2.gz FSWNGLNHFVMZLI-UHFFFAOYSA-N 1 2 347.463 2.022 20 30 EEEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ncc(C)o2)C[C@H]1C)OCC ZINC001207255820 1323917064 /nfs/dbraw/zinc/91/70/64/1323917064.db2.gz QAYQAWRILOXXHM-BMFZPTHFSA-N 1 2 335.448 2.291 20 30 EEEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)o2)C[C@H]1C)OCC ZINC001207255820 1323917068 /nfs/dbraw/zinc/91/70/68/1323917068.db2.gz QAYQAWRILOXXHM-BMFZPTHFSA-N 1 2 335.448 2.291 20 30 EEEDLO Cc1cccc(C[N@@H+]2CCc3c([nH]nc3C(=O)N3CC(CC#N)C3)C2)c1 ZINC001279731726 1323987556 /nfs/dbraw/zinc/98/75/56/1323987556.db2.gz MAZDZGMLGJHBCQ-UHFFFAOYSA-N 1 2 349.438 2.262 20 30 EEEDLO Cc1cccc(C[N@H+]2CCc3c([nH]nc3C(=O)N3CC(CC#N)C3)C2)c1 ZINC001279731726 1323987558 /nfs/dbraw/zinc/98/75/58/1323987558.db2.gz MAZDZGMLGJHBCQ-UHFFFAOYSA-N 1 2 349.438 2.262 20 30 EEEDLO C#CCCCN1CCn2cc(C(=O)Nc3cccc4[nH+]ccn43)nc2C1 ZINC001279750102 1323989859 /nfs/dbraw/zinc/98/98/59/1323989859.db2.gz QTFJTZNDAUAUHU-UHFFFAOYSA-N 1 2 348.410 2.012 20 30 EEEDLO CCCc1noc(C[NH2+][C@@H]2CCCN(C(=O)C#CC(C)(C)C)C2)n1 ZINC001208010241 1324262720 /nfs/dbraw/zinc/26/27/20/1324262720.db2.gz HDAZGPIRNGOQTO-CQSZACIVSA-N 1 2 332.448 2.152 20 30 EEEDLO CO[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C(C)C ZINC001208499735 1324527699 /nfs/dbraw/zinc/52/76/99/1324527699.db2.gz AEWGVCDLRUOHOZ-FSPWUOQZSA-N 1 2 347.434 2.305 20 30 EEEDLO CO[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C(C)C ZINC001208499735 1324527703 /nfs/dbraw/zinc/52/77/03/1324527703.db2.gz AEWGVCDLRUOHOZ-FSPWUOQZSA-N 1 2 347.434 2.305 20 30 EEEDLO C(=[NH+]Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCOCC2)cc1 ZINC001602746066 1350580351 /nfs/dbraw/zinc/58/03/51/1350580351.db2.gz FVFWHXHPRSIRCM-UHFFFAOYSA-N 1 2 349.398 2.149 20 30 EEEDLO C=CCNC(=O)[C@H](C)SCc1cccc(C[NH+]2CCOCC2)c1 ZINC001325472532 1333893256 /nfs/dbraw/zinc/89/32/56/1333893256.db2.gz BSIGJWRHDKQLMC-HNNXBMFYSA-N 1 2 334.485 2.443 20 30 EEEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCN(c2cnn(C)c2)C1 ZINC001327680036 1334332548 /nfs/dbraw/zinc/33/25/48/1334332548.db2.gz JTBFYQONSWVFFX-OAHLLOKOSA-N 1 2 325.416 2.298 20 30 EEEDLO C#C[C@@H](C)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC(C)C ZINC001343013717 1337326687 /nfs/dbraw/zinc/32/66/87/1337326687.db2.gz VXSJWWJYTVAOOO-MRXNPFEDSA-N 1 2 342.491 2.485 20 30 EEEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCCC1 ZINC001343947572 1337358346 /nfs/dbraw/zinc/35/83/46/1337358346.db2.gz PSUCHKZSOSKRED-HOTGVXAUSA-N 1 2 331.464 2.380 20 30 EEEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCCC1 ZINC001343947572 1337358349 /nfs/dbraw/zinc/35/83/49/1337358349.db2.gz PSUCHKZSOSKRED-HOTGVXAUSA-N 1 2 331.464 2.380 20 30 EEEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H](OCC)C1 ZINC001355978683 1338777688 /nfs/dbraw/zinc/77/76/88/1338777688.db2.gz YFOPYAYAJHPOBB-HNNXBMFYSA-N 1 2 344.463 2.184 20 30 EEEDLO CC[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H](C)[NH+]1CCOCC1 ZINC001433311538 1341556983 /nfs/dbraw/zinc/55/69/83/1341556983.db2.gz JYIUWMMKELBURW-PMPSAXMXSA-N 1 2 348.495 2.108 20 30 EEEDLO C=C(Br)C[NH2+][C@H]1C[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001436386438 1342064936 /nfs/dbraw/zinc/06/49/36/1342064936.db2.gz NHCJOKCEPPDYLW-IWSPIJDZSA-N 1 2 347.150 2.280 20 30 EEEDLO C=C(Br)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001436386438 1342064940 /nfs/dbraw/zinc/06/49/40/1342064940.db2.gz NHCJOKCEPPDYLW-IWSPIJDZSA-N 1 2 347.150 2.280 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cccc(OC)c1OC ZINC001367546409 1374205604 /nfs/dbraw/zinc/20/56/04/1374205604.db2.gz DNVNHQHYWFGWOO-UHFFFAOYSA-N 1 2 326.824 2.460 20 30 EEEDLO N#Cc1cccnc1NCc1cccc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC001586295229 1348848827 /nfs/dbraw/zinc/84/88/27/1348848827.db2.gz DFOZFQHWNMGXSW-UHFFFAOYSA-N 1 2 346.394 2.261 20 30 EEEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001592671906 1349703926 /nfs/dbraw/zinc/70/39/26/1349703926.db2.gz ZQBSUWBVXWDWII-LJQANCHMSA-N 1 2 345.410 2.319 20 30 EEEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001592671906 1349703930 /nfs/dbraw/zinc/70/39/30/1349703930.db2.gz ZQBSUWBVXWDWII-LJQANCHMSA-N 1 2 345.410 2.319 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C(F)C(F)(F)F)C2)cc1 ZINC001388679107 1387637533 /nfs/dbraw/zinc/63/75/33/1387637533.db2.gz ASRZHLVUILKCEF-MJBXVCDLSA-N 1 2 343.324 2.443 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)C2)cc1 ZINC001388679107 1387637537 /nfs/dbraw/zinc/63/75/37/1387637537.db2.gz ASRZHLVUILKCEF-MJBXVCDLSA-N 1 2 343.324 2.443 20 30 EEEDLO C#CCOc1ccc(C(=O)NCC[NH2+][C@H](C)c2ncc(C)o2)cc1 ZINC001134950179 1367865990 /nfs/dbraw/zinc/86/59/90/1367865990.db2.gz FLLOBLHDXZWMTM-CQSZACIVSA-N 1 2 327.384 2.076 20 30 EEEDLO C=CCOCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3ncccn3)C[C@H]21 ZINC001187472628 1368244880 /nfs/dbraw/zinc/24/48/80/1368244880.db2.gz NCJPSAIZMYOHOM-IXDOHACOSA-N 1 2 344.459 2.053 20 30 EEEDLO C=CCOCCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3ncccn3)C[C@H]21 ZINC001187472628 1368244886 /nfs/dbraw/zinc/24/48/86/1368244886.db2.gz NCJPSAIZMYOHOM-IXDOHACOSA-N 1 2 344.459 2.053 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)cc(F)c1 ZINC001110553522 1368735144 /nfs/dbraw/zinc/73/51/44/1368735144.db2.gz UDEXGIFBJBXWIM-KURKYZTESA-N 1 2 348.393 2.226 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)cc(F)c1 ZINC001110553522 1368735149 /nfs/dbraw/zinc/73/51/49/1368735149.db2.gz UDEXGIFBJBXWIM-KURKYZTESA-N 1 2 348.393 2.226 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(=O)NC(C)C)[C@@H](C)COC ZINC000852356471 1369264170 /nfs/dbraw/zinc/26/41/70/1369264170.db2.gz FRSICHXWNYAOMH-HNNXBMFYSA-N 1 2 347.459 2.286 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(=O)NC(C)C)[C@@H](C)COC ZINC000852356471 1369264174 /nfs/dbraw/zinc/26/41/74/1369264174.db2.gz FRSICHXWNYAOMH-HNNXBMFYSA-N 1 2 347.459 2.286 20 30 EEEDLO COc1cc(C#N)ccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000929672678 1369880266 /nfs/dbraw/zinc/88/02/66/1369880266.db2.gz OHWNETQZTDLXCJ-UHFFFAOYSA-N 1 2 336.395 2.492 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)cn1 ZINC001016028292 1370031204 /nfs/dbraw/zinc/03/12/04/1370031204.db2.gz WQFQHTLUVBHMQW-FQEVSTJZSA-N 1 2 347.393 2.058 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)cn1 ZINC001016028292 1370031209 /nfs/dbraw/zinc/03/12/09/1370031209.db2.gz WQFQHTLUVBHMQW-FQEVSTJZSA-N 1 2 347.393 2.058 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2Cc3ccccc3C[N@H+]2CC#CC)nc1 ZINC001054058618 1370061694 /nfs/dbraw/zinc/06/16/94/1370061694.db2.gz RKNCGRKWKYLEHX-HXUWFJFHSA-N 1 2 343.430 2.243 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2Cc3ccccc3C[N@@H+]2CC#CC)nc1 ZINC001054058618 1370061699 /nfs/dbraw/zinc/06/16/99/1370061699.db2.gz RKNCGRKWKYLEHX-HXUWFJFHSA-N 1 2 343.430 2.243 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnc(C)c1)C[C@@H](C)O2 ZINC001071221530 1370427897 /nfs/dbraw/zinc/42/78/97/1370427897.db2.gz QZNNCSMUNWYSBG-CRAIPNDOSA-N 1 2 349.862 2.448 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnc(C)c1)C[C@@H](C)O2 ZINC001071221530 1370427900 /nfs/dbraw/zinc/42/79/00/1370427900.db2.gz QZNNCSMUNWYSBG-CRAIPNDOSA-N 1 2 349.862 2.448 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cn(CCC)nn2)CC[C@@H]1C ZINC001071944675 1370583982 /nfs/dbraw/zinc/58/39/82/1370583982.db2.gz BBPMUKMQTCUNMG-STQMWFEESA-N 1 2 325.844 2.023 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn(CCC)nn2)CC[C@@H]1C ZINC001071944675 1370583986 /nfs/dbraw/zinc/58/39/86/1370583986.db2.gz BBPMUKMQTCUNMG-STQMWFEESA-N 1 2 325.844 2.023 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC3(C2)CC[N@@H+](C/C(Cl)=C\Cl)C3)[nH]1 ZINC001072634936 1370769614 /nfs/dbraw/zinc/76/96/14/1370769614.db2.gz KEMQOAOUPNLAFE-VZUCSPMQSA-N 1 2 339.226 2.353 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+](C/C(Cl)=C\Cl)C3)[nH]1 ZINC001072634936 1370769621 /nfs/dbraw/zinc/76/96/21/1370769621.db2.gz KEMQOAOUPNLAFE-VZUCSPMQSA-N 1 2 339.226 2.353 20 30 EEEDLO CCc1nnc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)o1 ZINC001111741513 1371236432 /nfs/dbraw/zinc/23/64/32/1371236432.db2.gz BSQGKVCUKDVZSU-RFUYNDQBSA-N 1 2 342.443 2.077 20 30 EEEDLO CCc1nnc([C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)o1 ZINC001111741513 1371236434 /nfs/dbraw/zinc/23/64/34/1371236434.db2.gz BSQGKVCUKDVZSU-RFUYNDQBSA-N 1 2 342.443 2.077 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(C)nn1)C2 ZINC001111759963 1371246700 /nfs/dbraw/zinc/24/67/00/1371246700.db2.gz RUFQCSOASACDKY-LPHOPBHVSA-N 1 2 343.475 2.054 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(C)nn1)C2 ZINC001111759963 1371246702 /nfs/dbraw/zinc/24/67/02/1371246702.db2.gz RUFQCSOASACDKY-LPHOPBHVSA-N 1 2 343.475 2.054 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)c4nncn4C)C[C@H]32)CCCC1 ZINC001115364968 1371582675 /nfs/dbraw/zinc/58/26/75/1371582675.db2.gz NSSOJNCXHYXACW-WCVJEAGWSA-N 1 2 343.475 2.059 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)c4nncn4C)C[C@H]32)CCCC1 ZINC001115364968 1371582678 /nfs/dbraw/zinc/58/26/78/1371582678.db2.gz NSSOJNCXHYXACW-WCVJEAGWSA-N 1 2 343.475 2.059 20 30 EEEDLO CC(C)(C#N)CCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000799962086 1371686728 /nfs/dbraw/zinc/68/67/28/1371686728.db2.gz NRJKTBHGULFJJR-UHFFFAOYSA-N 1 2 330.432 2.096 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)CC1=CCCOC1 ZINC001341903138 1372936560 /nfs/dbraw/zinc/93/65/60/1372936560.db2.gz LLNXUHZKUKAOQH-MRXNPFEDSA-N 1 2 331.464 2.404 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)CC1=CCCOC1 ZINC001341903138 1372936564 /nfs/dbraw/zinc/93/65/64/1372936564.db2.gz LLNXUHZKUKAOQH-MRXNPFEDSA-N 1 2 331.464 2.404 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001355887000 1373180743 /nfs/dbraw/zinc/18/07/43/1373180743.db2.gz NYMGMPVKNWFLHW-OWCLPIDISA-N 1 2 333.480 2.338 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001355887000 1373180749 /nfs/dbraw/zinc/18/07/49/1373180749.db2.gz NYMGMPVKNWFLHW-OWCLPIDISA-N 1 2 333.480 2.338 20 30 EEEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)CC[C@@H]1CCOC1 ZINC001367505260 1374189091 /nfs/dbraw/zinc/18/90/91/1374189091.db2.gz GEGUPANXUGGTJD-OAHLLOKOSA-N 1 2 347.434 2.404 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)CC[C@@H]1CCOC1 ZINC001367505260 1374189095 /nfs/dbraw/zinc/18/90/95/1374189095.db2.gz GEGUPANXUGGTJD-OAHLLOKOSA-N 1 2 347.434 2.404 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cccc(OC)c1OC ZINC001367546409 1374205601 /nfs/dbraw/zinc/20/56/01/1374205601.db2.gz DNVNHQHYWFGWOO-UHFFFAOYSA-N 1 2 326.824 2.460 20 30 EEEDLO CCn1nccc1C(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001374488357 1376865670 /nfs/dbraw/zinc/86/56/70/1376865670.db2.gz GVJZZOJDKSMEGF-UHFFFAOYSA-N 1 2 343.406 2.118 20 30 EEEDLO CCn1nccc1C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001374488357 1376865684 /nfs/dbraw/zinc/86/56/84/1376865684.db2.gz GVJZZOJDKSMEGF-UHFFFAOYSA-N 1 2 343.406 2.118 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cccnc1N1CCCC1 ZINC001375072110 1377338182 /nfs/dbraw/zinc/33/81/82/1377338182.db2.gz LOQMDWGTPWFKFH-CQSZACIVSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cccnc1N1CCCC1 ZINC001375072110 1377338184 /nfs/dbraw/zinc/33/81/84/1377338184.db2.gz LOQMDWGTPWFKFH-CQSZACIVSA-N 1 2 336.867 2.484 20 30 EEEDLO COCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CCC1 ZINC001376139744 1378322649 /nfs/dbraw/zinc/32/26/49/1378322649.db2.gz YCJWZVYHGOEZKP-INIZCTEOSA-N 1 2 345.418 2.205 20 30 EEEDLO COCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CCC1 ZINC001376139744 1378322653 /nfs/dbraw/zinc/32/26/53/1378322653.db2.gz YCJWZVYHGOEZKP-INIZCTEOSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)C1(F)CCOCC1 ZINC001377398860 1379207137 /nfs/dbraw/zinc/20/71/37/1379207137.db2.gz NKFYBCNNMFNBQY-KRWDZBQOSA-N 1 2 345.418 2.158 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)C1(F)CCOCC1 ZINC001377398860 1379207138 /nfs/dbraw/zinc/20/71/38/1379207138.db2.gz NKFYBCNNMFNBQY-KRWDZBQOSA-N 1 2 345.418 2.158 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)COc2cc(C)ccc2F)C1 ZINC001377975310 1379610140 /nfs/dbraw/zinc/61/01/40/1379610140.db2.gz VDQXBGGOZYASID-UHFFFAOYSA-N 1 2 326.799 2.313 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1ccccn1 ZINC001380936567 1381451430 /nfs/dbraw/zinc/45/14/30/1381451430.db2.gz BYZDVBTWIAUCRS-UHFFFAOYSA-N 1 2 326.238 2.384 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1ccccn1 ZINC001380936567 1381451432 /nfs/dbraw/zinc/45/14/32/1381451432.db2.gz BYZDVBTWIAUCRS-UHFFFAOYSA-N 1 2 326.238 2.384 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)c1ncccc1F ZINC001392315679 1389972740 /nfs/dbraw/zinc/97/27/40/1389972740.db2.gz WMZLHVRBPZEATI-UHFFFAOYSA-N 1 2 344.365 2.435 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)c1ncccc1F ZINC001392315679 1389972744 /nfs/dbraw/zinc/97/27/44/1389972744.db2.gz WMZLHVRBPZEATI-UHFFFAOYSA-N 1 2 344.365 2.435 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)C[C@H]1CCCOC1 ZINC001392335006 1389990574 /nfs/dbraw/zinc/99/05/74/1389990574.db2.gz 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769913804 /nfs/dbraw/zinc/91/38/04/769913804.db2.gz LABXSBFCYMBXBE-NWDGAFQWSA-N 1 2 344.394 2.143 20 30 EEEDLO C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)Nc1ncc(C#N)cc1F ZINC001089499128 769913811 /nfs/dbraw/zinc/91/38/11/769913811.db2.gz LABXSBFCYMBXBE-NWDGAFQWSA-N 1 2 344.394 2.143 20 30 EEEDLO C[C@H](C[C@@H](C)Nc1ccc(C#N)cn1)NC(=O)CCc1[nH+]ccn1C ZINC001089523692 770097460 /nfs/dbraw/zinc/09/74/60/770097460.db2.gz JBNXKRFNSXLXIH-ZIAGYGMSSA-N 1 2 340.431 2.015 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(C)[nH]3)C[C@@H]2C)CC1 ZINC000942600469 782824462 /nfs/dbraw/zinc/82/44/62/782824462.db2.gz QFQJSXKVDBPCAU-XJKSGUPXSA-N 1 2 331.464 2.186 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(C)[nH]3)C[C@@H]2C)CC1 ZINC000942600469 782824469 /nfs/dbraw/zinc/82/44/69/782824469.db2.gz QFQJSXKVDBPCAU-XJKSGUPXSA-N 1 2 331.464 2.186 20 30 EEEDLO C=CCCC1(C(=O)NC[C@H]2CN(c3cc[nH+]c(C)n3)CCCO2)CC1 ZINC001089558904 770342355 /nfs/dbraw/zinc/34/23/55/770342355.db2.gz YHFCANACWQVDOI-INIZCTEOSA-N 1 2 344.459 2.243 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)s1 ZINC001027830628 770926024 /nfs/dbraw/zinc/92/60/24/770926024.db2.gz FMVRJNKRQUFWLX-CYBMUJFWSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1cnc(C[N@H+]2CCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)s1 ZINC001027830628 770926030 /nfs/dbraw/zinc/92/60/30/770926030.db2.gz FMVRJNKRQUFWLX-CYBMUJFWSA-N 1 2 329.429 2.046 20 30 EEEDLO C=CC1(CC(=O)N2CC(n3cc(C[NH2+]CCF)nn3)C2)CCCCC1 ZINC001105344007 770926439 /nfs/dbraw/zinc/92/64/39/770926439.db2.gz HLMCMMWMZSINMN-UHFFFAOYSA-N 1 2 349.454 2.247 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C)s4)CC[C@@H]3C2)C1 ZINC001088098275 782907266 /nfs/dbraw/zinc/90/72/66/782907266.db2.gz BNPXIMQTEIKWTC-CABCVRRESA-N 1 2 346.500 2.483 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C)s4)CC[C@@H]3C2)C1 ZINC001088098275 782907270 /nfs/dbraw/zinc/90/72/70/782907270.db2.gz BNPXIMQTEIKWTC-CABCVRRESA-N 1 2 346.500 2.483 20 30 EEEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3C3CC3)C2)ccc1F ZINC001032041941 782998788 /nfs/dbraw/zinc/99/87/88/782998788.db2.gz GDIGVOALKZNYBR-DLBZAZTESA-N 1 2 327.403 2.291 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccn(C(F)F)n2)C1 ZINC001031698173 773395504 /nfs/dbraw/zinc/39/55/04/773395504.db2.gz WRYWVAHJNLSZGF-UHFFFAOYSA-N 1 2 345.353 2.012 20 30 EEEDLO CC1(C)CC(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001077560228 773512596 /nfs/dbraw/zinc/51/25/96/773512596.db2.gz ULDFQQUKBWLTIG-HZPDHXFCSA-N 1 2 347.484 2.107 20 30 EEEDLO CC1(C)CC(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001077560228 773512600 /nfs/dbraw/zinc/51/26/00/773512600.db2.gz ULDFQQUKBWLTIG-HZPDHXFCSA-N 1 2 347.484 2.107 20 30 EEEDLO CC[C@H]1CC[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)O1 ZINC001031709857 773534019 /nfs/dbraw/zinc/53/40/19/773534019.db2.gz ZOBSLCZMTQROBA-RBUKOAKNSA-N 1 2 344.430 2.183 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCC(C)(C)CN3CC#N)ccn12 ZINC001089641925 773660241 /nfs/dbraw/zinc/66/02/41/773660241.db2.gz XIMJMKISXCGCMY-MRXNPFEDSA-N 1 2 339.443 2.387 20 30 EEEDLO C#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089687312 774307185 /nfs/dbraw/zinc/30/71/85/774307185.db2.gz IPIJLWHOGLGDSF-INIZCTEOSA-N 1 2 331.460 2.195 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCN(c3ccccc3)C2)C1 ZINC001031763679 775152237 /nfs/dbraw/zinc/15/22/37/775152237.db2.gz GUMPBAZDPHWFGU-INIZCTEOSA-N 1 2 333.863 2.313 20 30 EEEDLO Cc1nc(N2CCC[C@H]([C@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)cc[nH+]1 ZINC001060354792 790345858 /nfs/dbraw/zinc/34/58/58/790345858.db2.gz LZLJVODNJJTRAJ-JSGCOSHPSA-N 1 2 338.415 2.020 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ncc(F)cc3F)C2)s1 ZINC001031771242 775298591 /nfs/dbraw/zinc/29/85/91/775298591.db2.gz IFXFRXRVKSLNJH-UHFFFAOYSA-N 1 2 348.378 2.155 20 30 EEEDLO CCO[C@H]1C[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000980751172 775449245 /nfs/dbraw/zinc/44/92/45/775449245.db2.gz RHNMNWLSROOHMV-WMZOPIPTSA-N 1 2 345.418 2.157 20 30 EEEDLO CCO[C@H]1C[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000980751172 775449251 /nfs/dbraw/zinc/44/92/51/775449251.db2.gz RHNMNWLSROOHMV-WMZOPIPTSA-N 1 2 345.418 2.157 20 30 EEEDLO C=CCOc1ccccc1C(=O)NCC1C[NH+](Cc2cnc(C)o2)C1 ZINC001031778574 775504496 /nfs/dbraw/zinc/50/44/96/775504496.db2.gz PNNJWBWRWHXERL-UHFFFAOYSA-N 1 2 341.411 2.410 20 30 EEEDLO CO[C@H]1CC[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001031791255 775700716 /nfs/dbraw/zinc/70/07/16/775700716.db2.gz HYBRPZGLCBLUCE-HKUYNNGSSA-N 1 2 344.430 2.040 20 30 EEEDLO CO[C@@H]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001031790625 775708786 /nfs/dbraw/zinc/70/87/86/775708786.db2.gz CWCREBDPKVKMBI-NVXWUHKLSA-N 1 2 345.418 2.060 20 30 EEEDLO CO[C@H]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001031792304 775731901 /nfs/dbraw/zinc/73/19/01/775731901.db2.gz QLKNUHFYEQZDPR-WBVHZDCISA-N 1 2 345.418 2.060 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cncc(F)c2)CC1 ZINC000980958414 776185053 /nfs/dbraw/zinc/18/50/53/776185053.db2.gz SZWFPESHIIJOLS-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cncc(F)c2)CC1 ZINC000980958414 776185059 /nfs/dbraw/zinc/18/50/59/776185059.db2.gz SZWFPESHIIJOLS-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCCO3)CC2)s1 ZINC000980985829 776266778 /nfs/dbraw/zinc/26/67/78/776266778.db2.gz ZLFBZCBRUKBNCE-MRXNPFEDSA-N 1 2 333.457 2.223 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCCO3)CC2)s1 ZINC000980985829 776266786 /nfs/dbraw/zinc/26/67/86/776266786.db2.gz ZLFBZCBRUKBNCE-MRXNPFEDSA-N 1 2 333.457 2.223 20 30 EEEDLO C[C@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000981051428 776442771 /nfs/dbraw/zinc/44/27/71/776442771.db2.gz DTFORNIYVIOGTE-APWZRJJASA-N 1 2 341.455 2.408 20 30 EEEDLO C[C@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000981051428 776442778 /nfs/dbraw/zinc/44/27/78/776442778.db2.gz DTFORNIYVIOGTE-APWZRJJASA-N 1 2 341.455 2.408 20 30 EEEDLO C=C(C)CCC(=O)NCC1(NC(=O)Cc2c[nH+]ccc2OC)CCC1 ZINC001063261713 790462359 /nfs/dbraw/zinc/46/23/59/790462359.db2.gz TZWHTWGBUNPFOK-UHFFFAOYSA-N 1 2 345.443 2.144 20 30 EEEDLO Cc1c[nH]nc1C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981133071 776571111 /nfs/dbraw/zinc/57/11/11/776571111.db2.gz HGQWYYTUMFBFRS-UHFFFAOYSA-N 1 2 340.402 2.057 20 30 EEEDLO Cc1c[nH]nc1C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981133071 776571120 /nfs/dbraw/zinc/57/11/20/776571120.db2.gz HGQWYYTUMFBFRS-UHFFFAOYSA-N 1 2 340.402 2.057 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnc2cc(C)nn2c1C ZINC001028060225 776910617 /nfs/dbraw/zinc/91/06/17/776910617.db2.gz RRKXBRPYJFKZHZ-AWEZNQCLSA-N 1 2 347.850 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2cc(C)nn2c1C ZINC001028060225 776910624 /nfs/dbraw/zinc/91/06/24/776910624.db2.gz RRKXBRPYJFKZHZ-AWEZNQCLSA-N 1 2 347.850 2.293 20 30 EEEDLO C[C@@H]1C[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)CO1 ZINC000981487486 777502984 /nfs/dbraw/zinc/50/29/84/777502984.db2.gz RLWKWQCGJDIOJR-KGLIPLIRSA-N 1 2 333.457 2.079 20 30 EEEDLO C[C@@H]1C[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)CO1 ZINC000981487486 777502992 /nfs/dbraw/zinc/50/29/92/777502992.db2.gz RLWKWQCGJDIOJR-KGLIPLIRSA-N 1 2 333.457 2.079 20 30 EEEDLO CO[C@H]1CC[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)C1 ZINC000981498430 777553187 /nfs/dbraw/zinc/55/31/87/777553187.db2.gz KHAJTNMYVAFNQD-CABCVRRESA-N 1 2 347.484 2.469 20 30 EEEDLO CO[C@H]1CC[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)C1 ZINC000981498430 777553191 /nfs/dbraw/zinc/55/31/91/777553191.db2.gz KHAJTNMYVAFNQD-CABCVRRESA-N 1 2 347.484 2.469 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+]([C@H](C)c1nc(C3CC3)no1)C2 ZINC000981669598 777948051 /nfs/dbraw/zinc/94/80/51/777948051.db2.gz PVBQMRPIJNCNLA-CHWSQXEVSA-N 1 2 343.431 2.092 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@H+]([C@H](C)c1nc(C3CC3)no1)C2 ZINC000981669598 777948059 /nfs/dbraw/zinc/94/80/59/777948059.db2.gz PVBQMRPIJNCNLA-CHWSQXEVSA-N 1 2 343.431 2.092 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC3(CN(C(=O)C#CC4CC4)C3)C2)oc1C ZINC000981759112 778169117 /nfs/dbraw/zinc/16/91/17/778169117.db2.gz MICAYZCEZHDXQM-UHFFFAOYSA-N 1 2 327.428 2.129 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC3(CN(C(=O)C#CC4CC4)C3)C2)oc1C ZINC000981759112 778169121 /nfs/dbraw/zinc/16/91/21/778169121.db2.gz MICAYZCEZHDXQM-UHFFFAOYSA-N 1 2 327.428 2.129 20 30 EEEDLO C[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1)c1cncnc1 ZINC000981817121 778273097 /nfs/dbraw/zinc/27/30/97/778273097.db2.gz XVVDXBSMNZPRHB-INIZCTEOSA-N 1 2 349.438 2.186 20 30 EEEDLO C[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1)c1cncnc1 ZINC000981817121 778273102 /nfs/dbraw/zinc/27/31/02/778273102.db2.gz XVVDXBSMNZPRHB-INIZCTEOSA-N 1 2 349.438 2.186 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccn(C(C)C)n1 ZINC001028146758 778440146 /nfs/dbraw/zinc/44/01/46/778440146.db2.gz LNUQCAXRGYGHBJ-KURKYZTESA-N 1 2 346.475 2.136 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccn(C(C)C)n1 ZINC001028146758 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C=C(Br)C[N@H+]1CC[C@@]2(NC(=O)c3cnco3)CCC[C@@H]12 ZINC000992008424 792285249 /nfs/dbraw/zinc/28/52/49/792285249.db2.gz CUCNLVDAACWZSX-OCCSQVGLSA-N 1 2 340.221 2.310 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@@H]1CCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001064112079 792435414 /nfs/dbraw/zinc/43/54/14/792435414.db2.gz GIBDQNBWHOQRHH-WFASDCNBSA-N 1 2 341.390 2.360 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC1(NC(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001064396819 793031265 /nfs/dbraw/zinc/03/12/65/793031265.db2.gz CXDZCDSYCBZXMC-KRWDZBQOSA-N 1 2 332.448 2.018 20 30 EEEDLO Cc1nc(N2CC[C@@H]3CN(C(=O)C#CC(C)C)C[C@@H]3C2)c(C)c(C)[nH+]1 ZINC001091851164 793324385 /nfs/dbraw/zinc/32/43/85/793324385.db2.gz UFCUGAJGIYHYFN-MSOLQXFVSA-N 1 2 340.471 2.346 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001091916650 793402301 /nfs/dbraw/zinc/40/23/01/793402301.db2.gz KIDHJCZRFNLKEB-KUHUBIRLSA-N 1 2 345.491 2.421 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001091916650 793402306 /nfs/dbraw/zinc/40/23/06/793402306.db2.gz KIDHJCZRFNLKEB-KUHUBIRLSA-N 1 2 345.491 2.421 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4nc(C)no4)C[C@@]3(C)C2)CC1 ZINC001091979259 793490680 /nfs/dbraw/zinc/49/06/80/793490680.db2.gz YKMGRNZSQKYERO-APWZRJJASA-N 1 2 344.459 2.405 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4nc(C)no4)C[C@@]3(C)C2)CC1 ZINC001091979259 793490685 /nfs/dbraw/zinc/49/06/85/793490685.db2.gz YKMGRNZSQKYERO-APWZRJJASA-N 1 2 344.459 2.405 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1C ZINC001092014172 793507178 /nfs/dbraw/zinc/50/71/78/793507178.db2.gz NMXBOXOHHMUEFE-OAGGEKHMSA-N 1 2 344.459 2.030 20 30 EEEDLO N#Cc1ccc(NC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C2CC2)nc1 ZINC001109940195 806251630 /nfs/dbraw/zinc/25/16/30/806251630.db2.gz KPPYRZYQLLBTIQ-OAHLLOKOSA-N 1 2 346.394 2.221 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)CC=C(C)CC1)C2 ZINC001110130151 793733623 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SVJGJZZKAMUPRT-PMPSAXMXSA-N 1 2 349.519 2.473 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)C1CCCC1)c1nccn12 ZINC001092407482 793956135 /nfs/dbraw/zinc/95/61/35/793956135.db2.gz MBGYDUKCAWQYCH-GDBMZVCRSA-N 1 2 328.460 2.467 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)c2cc[nH]c2C)C1 ZINC001046230015 793976904 /nfs/dbraw/zinc/97/69/04/793976904.db2.gz VJZRESDMCOPOEY-CQSZACIVSA-N 1 2 326.238 2.426 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc[nH]c2C)C1 ZINC001046230015 793976913 /nfs/dbraw/zinc/97/69/13/793976913.db2.gz VJZRESDMCOPOEY-CQSZACIVSA-N 1 2 326.238 2.426 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000999250178 794117163 /nfs/dbraw/zinc/11/71/63/794117163.db2.gz MDJMNWHCHMGTTK-GFCCVEGCSA-N 1 2 326.828 2.237 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C2CCCCC2)c1 ZINC001032717540 794756105 /nfs/dbraw/zinc/75/61/05/794756105.db2.gz KHTHBMYOBZHPCN-ROUUACIJSA-N 1 2 326.444 2.310 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C2CCCCC2)c1 ZINC001032717540 794756113 /nfs/dbraw/zinc/75/61/13/794756113.db2.gz KHTHBMYOBZHPCN-ROUUACIJSA-N 1 2 326.444 2.310 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@H]21 ZINC001093241649 794859321 /nfs/dbraw/zinc/85/93/21/794859321.db2.gz IVRUGLGFCVTONE-MNZLEMJZSA-N 1 2 338.455 2.407 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](C)C[C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001089306715 795156210 /nfs/dbraw/zinc/15/62/10/795156210.db2.gz RGYQBJMUAFJPJZ-ZIAGYGMSSA-N 1 2 340.431 2.313 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3cnccc3C)CC2)C1 ZINC001093521697 795307949 /nfs/dbraw/zinc/30/79/49/795307949.db2.gz VSDJMGRNCVXDDR-UHFFFAOYSA-N 1 2 329.444 2.272 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C)nc2C)nc1 ZINC001032738302 795332314 /nfs/dbraw/zinc/33/23/14/795332314.db2.gz VRJYZCMNAXAPGK-OALUTQOASA-N 1 2 346.434 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C)nc2C)nc1 ZINC001032738302 795332319 /nfs/dbraw/zinc/33/23/19/795332319.db2.gz VRJYZCMNAXAPGK-OALUTQOASA-N 1 2 346.434 2.174 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@]34CCO[C@@H]3CCCC4)CC2)C1 ZINC001093554275 795332676 /nfs/dbraw/zinc/33/26/76/795332676.db2.gz TVSMLBGPUFECHN-QUCCMNQESA-N 1 2 348.487 2.214 20 30 EEEDLO C=C(C)CC[NH+]1CC(OC2CCN(C(=O)CCc3cnc[nH]3)CC2)C1 ZINC001093541697 795350814 /nfs/dbraw/zinc/35/08/14/795350814.db2.gz TUNSGPSMFHIFQP-UHFFFAOYSA-N 1 2 346.475 2.000 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnco2)CC2(CCOCC2)C1 ZINC001089949599 795372320 /nfs/dbraw/zinc/37/23/20/795372320.db2.gz JARNFNIIELHZBW-ZDUSSCGKSA-N 1 2 339.823 2.028 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnco2)CC2(CCOCC2)C1 ZINC001089949599 795372326 /nfs/dbraw/zinc/37/23/26/795372326.db2.gz JARNFNIIELHZBW-ZDUSSCGKSA-N 1 2 339.823 2.028 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[C@@H](OC)C3)CC2)C1 ZINC001093566381 795377566 /nfs/dbraw/zinc/37/75/66/795377566.db2.gz SRSIEWAUSCAXNG-DOTOQJQBSA-N 1 2 336.476 2.069 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CC34CC(OCC)C4)CC2)C1 ZINC001093574968 795386203 /nfs/dbraw/zinc/38/62/03/795386203.db2.gz JOMHKLVMJWAMDN-KGXSXCIVSA-N 1 2 348.487 2.069 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC(N(CC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001079965990 795413172 /nfs/dbraw/zinc/41/31/72/795413172.db2.gz HQWIXQSMCALCRB-SFHVURJKSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC(N(CC)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001079965990 795413177 /nfs/dbraw/zinc/41/31/77/795413177.db2.gz HQWIXQSMCALCRB-SFHVURJKSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001080035426 795511339 /nfs/dbraw/zinc/51/13/39/795511339.db2.gz LITNOLIOSVCUHK-IAQYHMDHSA-N 1 2 345.834 2.274 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001080035426 795511347 /nfs/dbraw/zinc/51/13/47/795511347.db2.gz LITNOLIOSVCUHK-IAQYHMDHSA-N 1 2 345.834 2.274 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(C2(NC(=O)c3cn(C)ccc3=O)CC2)CC1 ZINC001000209333 795527065 /nfs/dbraw/zinc/52/70/65/795527065.db2.gz QDKICDPCFNFJCC-UHFFFAOYSA-N 1 2 349.862 2.112 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc3oc(C)nc3c2)C1 ZINC001108018409 795544337 /nfs/dbraw/zinc/54/43/37/795544337.db2.gz DWZPJXPCHJGBEB-GOSISDBHSA-N 1 2 329.400 2.143 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc3oc(C)nc3c2)C1 ZINC001108018409 795544343 /nfs/dbraw/zinc/54/43/43/795544343.db2.gz DWZPJXPCHJGBEB-GOSISDBHSA-N 1 2 329.400 2.143 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(CCO)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001111540973 795615953 /nfs/dbraw/zinc/61/59/53/795615953.db2.gz FMKNXMHKJALPBN-CQSZACIVSA-N 1 2 346.475 2.498 20 30 EEEDLO C=CC(C)(C)C(=O)N(CC)C1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001080223122 795758128 /nfs/dbraw/zinc/75/81/28/795758128.db2.gz SKSQFIDRYPHRDH-UHFFFAOYSA-N 1 2 340.427 2.448 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106520260 795763523 /nfs/dbraw/zinc/76/35/23/795763523.db2.gz ZPOYCVXZUYBSLM-LBPRGKRZSA-N 1 2 334.468 2.155 20 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ZINC000993209619 795953168 /nfs/dbraw/zinc/95/31/68/795953168.db2.gz ZZLMESZQIRGBNL-NHYWBVRUSA-N 1 2 329.429 2.126 20 30 EEEDLO C=CCOc1ccc(C(=O)NC[C@]2(C)C[N@H+](CC=C)CCO2)cc1 ZINC001108032036 795977381 /nfs/dbraw/zinc/97/73/81/795977381.db2.gz MQCGHHPBYGWYCQ-LJQANCHMSA-N 1 2 330.428 2.258 20 30 EEEDLO C=CCOc1ccc(C(=O)NC[C@]2(C)C[N@@H+](CC=C)CCO2)cc1 ZINC001108032036 795977386 /nfs/dbraw/zinc/97/73/86/795977386.db2.gz MQCGHHPBYGWYCQ-LJQANCHMSA-N 1 2 330.428 2.258 20 30 EEEDLO Cc1ccc(C#N)c(NCC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001106624270 795978063 /nfs/dbraw/zinc/97/80/63/795978063.db2.gz BTICCCPKBLMWSJ-NWANDNLSSA-N 1 2 338.415 2.095 20 30 EEEDLO Cc1ccc(C#N)c(NCC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001106624270 795978067 /nfs/dbraw/zinc/97/80/67/795978067.db2.gz BTICCCPKBLMWSJ-NWANDNLSSA-N 1 2 338.415 2.095 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001094178757 795989609 /nfs/dbraw/zinc/98/96/09/795989609.db2.gz 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ZINC001111536182 796689646 /nfs/dbraw/zinc/68/96/46/796689646.db2.gz FRLLUGDPQCAZOS-UHFFFAOYSA-N 1 2 346.475 2.335 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cnccc2OC)[C@H]1C ZINC000993487054 796766583 /nfs/dbraw/zinc/76/65/83/796766583.db2.gz FZZMVDAGBVFPFO-UKRRQHHQSA-N 1 2 337.851 2.354 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cnccc2OC)[C@H]1C ZINC000993487054 796766588 /nfs/dbraw/zinc/76/65/88/796766588.db2.gz FZZMVDAGBVFPFO-UKRRQHHQSA-N 1 2 337.851 2.354 20 30 EEEDLO COc1cc[nH+]cc1CC(=O)NCCCNc1cccc(F)c1C#N ZINC001094869019 796871461 /nfs/dbraw/zinc/87/14/61/796871461.db2.gz SXJOODFPZTXPPZ-UHFFFAOYSA-N 1 2 342.374 2.262 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3cc(Cl)ccc3o2)[C@H](OC)C1 ZINC001081913359 796982983 /nfs/dbraw/zinc/98/29/83/796982983.db2.gz VZCUWJNFNPNEOP-CZUORRHYSA-N 1 2 332.787 2.148 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3cc(Cl)ccc3o2)[C@H](OC)C1 ZINC001081913359 796982990 /nfs/dbraw/zinc/98/29/90/796982990.db2.gz VZCUWJNFNPNEOP-CZUORRHYSA-N 1 2 332.787 2.148 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2sc3ccccc3c2C)[C@H](OC)C1 ZINC001081917978 796987915 /nfs/dbraw/zinc/98/79/15/796987915.db2.gz BWVWRDHVRZMOFY-HUUCEWRRSA-N 1 2 328.437 2.272 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2sc3ccccc3c2C)[C@H](OC)C1 ZINC001081917978 796987917 /nfs/dbraw/zinc/98/79/17/796987917.db2.gz BWVWRDHVRZMOFY-HUUCEWRRSA-N 1 2 328.437 2.272 20 30 EEEDLO CCOC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)[C@H](C)CCCC#N ZINC001172501166 797011353 /nfs/dbraw/zinc/01/13/53/797011353.db2.gz PNOKCUYUUUUAMC-CQSZACIVSA-N 1 2 341.452 2.459 20 30 EEEDLO CCOC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)[C@H](C)CCCC#N ZINC001172501166 797011359 /nfs/dbraw/zinc/01/13/59/797011359.db2.gz PNOKCUYUUUUAMC-CQSZACIVSA-N 1 2 341.452 2.459 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2nccn3ccnc23)[C@H]1C ZINC000993854247 797089697 /nfs/dbraw/zinc/08/96/97/797089697.db2.gz KVCVBXLATWTKGR-OLZOCXBDSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2nccn3ccnc23)[C@H]1C ZINC000993854247 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344.883 2.246 20 30 EEEDLO Cc1oc(-c2ccccc2)nc1C[N@@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001437453622 1089760824 /nfs/dbraw/zinc/76/08/24/1089760824.db2.gz TWTCXNWOMHNLKI-ZDUSSCGKSA-N 1 2 326.400 2.358 20 30 EEEDLO Cc1oc(-c2ccccc2)nc1C[N@H+](C)CCNC(=O)[C@@H](C)C#N ZINC001437453622 1089760839 /nfs/dbraw/zinc/76/08/39/1089760839.db2.gz TWTCXNWOMHNLKI-ZDUSSCGKSA-N 1 2 326.400 2.358 20 30 EEEDLO C[N@H+](CCNC(=O)C[C@H]1CCCCO1)Cc1ccc(C#N)cc1F ZINC001437460840 1089778697 /nfs/dbraw/zinc/77/86/97/1089778697.db2.gz XSCAIPDTYKFVGI-MRXNPFEDSA-N 1 2 333.407 2.205 20 30 EEEDLO C[N@@H+](CCNC(=O)C[C@H]1CCCCO1)Cc1ccc(C#N)cc1F ZINC001437460840 1089778708 /nfs/dbraw/zinc/77/87/08/1089778708.db2.gz XSCAIPDTYKFVGI-MRXNPFEDSA-N 1 2 333.407 2.205 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](C)Cc2c(C)nn(C)c2C)C1 ZINC001438159545 1090673042 /nfs/dbraw/zinc/67/30/42/1090673042.db2.gz KCRJVAPTIUOMHL-LLVKDONJSA-N 1 2 338.883 2.016 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)COCc2cccnc2)[C@H]1C ZINC001449039265 1094052473 /nfs/dbraw/zinc/05/24/73/1094052473.db2.gz BLZJKGCAMMWXEI-GDBMZVCRSA-N 1 2 337.851 2.320 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)COCc2cccnc2)[C@H]1C ZINC001449039265 1094052476 /nfs/dbraw/zinc/05/24/76/1094052476.db2.gz BLZJKGCAMMWXEI-GDBMZVCRSA-N 1 2 337.851 2.320 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCc2cn(C)nc2C)[C@H]1C ZINC001449040616 1094054906 /nfs/dbraw/zinc/05/49/06/1094054906.db2.gz BXPNUSIWPAKMHS-GDBMZVCRSA-N 1 2 338.883 2.383 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCc2cn(C)nc2C)[C@H]1C ZINC001449040616 1094054913 /nfs/dbraw/zinc/05/49/13/1094054913.db2.gz BXPNUSIWPAKMHS-GDBMZVCRSA-N 1 2 338.883 2.383 20 30 EEEDLO CCC[C@H](OC)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001443598572 1098091797 /nfs/dbraw/zinc/09/17/97/1098091797.db2.gz HGRLXLHFGWMFCI-KRWDZBQOSA-N 1 2 333.407 2.060 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)CCOC(C)C)C1 ZINC001446522436 1100975964 /nfs/dbraw/zinc/97/59/64/1100975964.db2.gz DBIHTXNUKQWRBE-AWEZNQCLSA-N 1 2 333.270 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)CCOC(C)C)C1 ZINC001446522436 1100975975 /nfs/dbraw/zinc/97/59/75/1100975975.db2.gz DBIHTXNUKQWRBE-AWEZNQCLSA-N 1 2 333.270 2.291 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC001496845678 1101589281 /nfs/dbraw/zinc/58/92/81/1101589281.db2.gz WDTONKJZKXQSKX-UHFFFAOYSA-N 1 2 336.823 2.035 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC001496845678 1101589284 /nfs/dbraw/zinc/58/92/84/1101589284.db2.gz WDTONKJZKXQSKX-UHFFFAOYSA-N 1 2 336.823 2.035 20 30 EEEDLO CC(C)c1noc([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)c2cc(C#N)c[nH]2)n1 ZINC001496031151 1101957279 /nfs/dbraw/zinc/95/72/79/1101957279.db2.gz KMHPSTQTMKSUEL-NWDGAFQWSA-N 1 2 344.419 2.204 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)COC(C)C)C[C@H]1C ZINC001447617530 1102979636 /nfs/dbraw/zinc/97/96/36/1102979636.db2.gz PEFBZIBMPUHETA-CHWSQXEVSA-N 1 2 333.270 2.289 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)COC(C)C)C[C@H]1C ZINC001447617530 1102979647 /nfs/dbraw/zinc/97/96/47/1102979647.db2.gz PEFBZIBMPUHETA-CHWSQXEVSA-N 1 2 333.270 2.289 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)COC(C)C)C[C@H]1C ZINC001447617531 1102980307 /nfs/dbraw/zinc/98/03/07/1102980307.db2.gz PEFBZIBMPUHETA-OLZOCXBDSA-N 1 2 333.270 2.289 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)COC(C)C)C[C@H]1C ZINC001447617531 1102980313 /nfs/dbraw/zinc/98/03/13/1102980313.db2.gz PEFBZIBMPUHETA-OLZOCXBDSA-N 1 2 333.270 2.289 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1c(CC)nn(C)c1CC ZINC001448045441 1103887382 /nfs/dbraw/zinc/88/73/82/1103887382.db2.gz QDGHUXUUXOSXCX-CYBMUJFWSA-N 1 2 340.899 2.276 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1c(CC)nn(C)c1CC ZINC001448045441 1103887390 /nfs/dbraw/zinc/88/73/90/1103887390.db2.gz QDGHUXUUXOSXCX-CYBMUJFWSA-N 1 2 340.899 2.276 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)Cc2cscn2)s1 ZINC001499073782 1108544370 /nfs/dbraw/zinc/54/43/70/1108544370.db2.gz HDZXJJWKLONYAT-LBPRGKRZSA-N 1 2 332.454 2.009 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)Cc2cscn2)s1 ZINC001499073782 1108544382 /nfs/dbraw/zinc/54/43/82/1108544382.db2.gz HDZXJJWKLONYAT-LBPRGKRZSA-N 1 2 332.454 2.009 20 30 EEEDLO Cc1cccc(OCC[NH+]2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)c1 ZINC001472945687 1110567091 /nfs/dbraw/zinc/56/70/91/1110567091.db2.gz DZZPVUAUNLVGGH-UHFFFAOYSA-N 1 2 338.411 2.032 20 30 EEEDLO C=C(C)CN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CCOC ZINC001514683084 1118834588 /nfs/dbraw/zinc/83/45/88/1118834588.db2.gz VVTRVQIRPJVZPE-UHFFFAOYSA-N 1 2 346.479 2.030 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCCC(C)(C)C1 ZINC001520360473 1119149618 /nfs/dbraw/zinc/14/96/18/1119149618.db2.gz GSBGTOUVMYGOTA-UHFFFAOYSA-N 1 2 347.507 2.295 20 30 EEEDLO N#Cc1ccc(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)cc1 ZINC000053070120 214162922 /nfs/dbraw/zinc/16/29/22/214162922.db2.gz LFIBWANPRLCMKZ-UHFFFAOYSA-N 1 2 345.406 2.164 20 30 EEEDLO Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@@H]3C#N)CC2)s1 ZINC000329680734 539779948 /nfs/dbraw/zinc/77/99/48/539779948.db2.gz WOZXQWBMDBBSEC-UKRRQHHQSA-N 1 2 333.461 2.175 20 30 EEEDLO CC(C)[N@H+](CC(N)=O)CC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000216159372 241172372 /nfs/dbraw/zinc/17/23/72/241172372.db2.gz ZJRCFRDIGUJXKQ-YVLHZVERSA-N 1 2 329.444 2.063 20 30 EEEDLO CC(C)[N@@H+](CC(N)=O)CC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000216159372 241172382 /nfs/dbraw/zinc/17/23/82/241172382.db2.gz ZJRCFRDIGUJXKQ-YVLHZVERSA-N 1 2 329.444 2.063 20 30 EEEDLO Cc1cc(C#N)cc(NC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)c1 ZINC000459615257 245189235 /nfs/dbraw/zinc/18/92/35/245189235.db2.gz VZORZWXJVUXXBL-OAHLLOKOSA-N 1 2 341.415 2.482 20 30 EEEDLO N#Cc1cccc(Cl)c1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000266165910 248143787 /nfs/dbraw/zinc/14/37/87/248143787.db2.gz PICYDZPZIDNYPA-UHFFFAOYSA-N 1 2 346.862 2.346 20 30 EEEDLO N#Cc1cccc(Cl)c1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000266165910 248143792 /nfs/dbraw/zinc/14/37/92/248143792.db2.gz PICYDZPZIDNYPA-UHFFFAOYSA-N 1 2 346.862 2.346 20 30 EEEDLO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361377 218136461 /nfs/dbraw/zinc/13/64/61/218136461.db2.gz YUMHTRISNKSRMD-MRXNPFEDSA-N 1 2 349.431 2.391 20 30 EEEDLO C=CC[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361377 218136465 /nfs/dbraw/zinc/13/64/65/218136465.db2.gz YUMHTRISNKSRMD-MRXNPFEDSA-N 1 2 349.431 2.391 20 30 EEEDLO C=CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000092361078 218136585 /nfs/dbraw/zinc/13/65/85/218136585.db2.gz PUOLOYOJSFHJAB-KEDPEKRHSA-N 1 2 336.413 2.283 20 30 EEEDLO C=CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000092361078 218136587 /nfs/dbraw/zinc/13/65/87/218136587.db2.gz PUOLOYOJSFHJAB-KEDPEKRHSA-N 1 2 336.413 2.283 20 30 EEEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)[nH]1 ZINC000268532734 252000961 /nfs/dbraw/zinc/00/09/61/252000961.db2.gz ZAWKOPIMUOMPER-IUODEOHRSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)[nH]1 ZINC000268532734 252000964 /nfs/dbraw/zinc/00/09/64/252000964.db2.gz ZAWKOPIMUOMPER-IUODEOHRSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000268532734 252000968 /nfs/dbraw/zinc/00/09/68/252000968.db2.gz ZAWKOPIMUOMPER-IUODEOHRSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000268532734 252000972 /nfs/dbraw/zinc/00/09/72/252000972.db2.gz ZAWKOPIMUOMPER-IUODEOHRSA-N 1 2 338.415 2.191 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCS3)n2CC(=C)C)CC1 ZINC000491641144 533159374 /nfs/dbraw/zinc/15/93/74/533159374.db2.gz ZITFDWGVFVOFPD-OAHLLOKOSA-N 1 2 331.489 2.178 20 30 EEEDLO C#C[C@@H](NC(=O)C1([NH+]2CCOCC2)CCC1)c1ccc(Cl)cc1 ZINC000491351640 533246711 /nfs/dbraw/zinc/24/67/11/533246711.db2.gz VENPIYNKNDAPNJ-MRXNPFEDSA-N 1 2 332.831 2.385 20 30 EEEDLO C#C[C@H](CCC)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000491451602 533309534 /nfs/dbraw/zinc/30/95/34/533309534.db2.gz GSSWPFFYXVEXSB-CABCVRRESA-N 1 2 335.473 2.223 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](C[C@@H](O)c3ccc(F)cc3F)CC2)c1 ZINC000051877486 132182132 /nfs/dbraw/zinc/18/21/32/132182132.db2.gz KTUUPRUQMYZPRU-QGZVFWFLSA-N 1 2 344.365 2.087 20 30 EEEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000115530860 152027865 /nfs/dbraw/zinc/02/78/65/152027865.db2.gz OVNRPQFQTHXTJG-SFHVURJKSA-N 1 2 338.386 2.046 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(Cl)n(C)n2)[C@H]1CC ZINC001087650361 782008254 /nfs/dbraw/zinc/00/82/54/782008254.db2.gz KIFVIKLZCJFAPX-CMPLNLGQSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)n(C)n2)[C@H]1CC ZINC001087650361 782008259 /nfs/dbraw/zinc/00/82/59/782008259.db2.gz KIFVIKLZCJFAPX-CMPLNLGQSA-N 1 2 331.247 2.409 20 30 EEEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000374297568 154038926 /nfs/dbraw/zinc/03/89/26/154038926.db2.gz RMQXYPZLRLKQLI-IAGOWNOFSA-N 1 2 326.400 2.005 20 30 EEEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000374297568 154038931 /nfs/dbraw/zinc/03/89/31/154038931.db2.gz RMQXYPZLRLKQLI-IAGOWNOFSA-N 1 2 326.400 2.005 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1C#N ZINC000068008074 159015106 /nfs/dbraw/zinc/01/51/06/159015106.db2.gz AWNVFQHOPDPRNJ-GFCCVEGCSA-N 1 2 348.472 2.375 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1C#N ZINC000068008074 159015109 /nfs/dbraw/zinc/01/51/09/159015109.db2.gz AWNVFQHOPDPRNJ-GFCCVEGCSA-N 1 2 348.472 2.375 20 30 EEEDLO C[C@@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)Cn1cc[nH+]c1 ZINC000342750432 161087910 /nfs/dbraw/zinc/08/79/10/161087910.db2.gz NBDJJOHYUVLTCG-AWEZNQCLSA-N 1 2 334.383 2.007 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000343971615 161185732 /nfs/dbraw/zinc/18/57/32/161185732.db2.gz CWDBSIHOEBJMBT-GOSISDBHSA-N 1 2 335.407 2.110 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000343971615 161185733 /nfs/dbraw/zinc/18/57/33/161185733.db2.gz CWDBSIHOEBJMBT-GOSISDBHSA-N 1 2 335.407 2.110 20 30 EEEDLO N#Cc1ccc(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000354487566 162884573 /nfs/dbraw/zinc/88/45/73/162884573.db2.gz HSLWKIFYXAAACW-UHFFFAOYSA-N 1 2 349.325 2.460 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Cc2c(F)cccc2C#N)CCO1 ZINC000354900835 163008427 /nfs/dbraw/zinc/00/84/27/163008427.db2.gz MXHATLYNNIDDHE-DYVFJYSZSA-N 1 2 342.374 2.010 20 30 EEEDLO N#Cc1cc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000369085115 166186416 /nfs/dbraw/zinc/18/64/16/166186416.db2.gz PYZLJTBHQRXSEF-OAHLLOKOSA-N 1 2 327.344 2.140 20 30 EEEDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)S1 ZINC000157738227 224878688 /nfs/dbraw/zinc/87/86/88/224878688.db2.gz WWRDWTBNRIQATL-LLVKDONJSA-N 1 2 331.401 2.080 20 30 EEEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000289031446 270017555 /nfs/dbraw/zinc/01/75/55/270017555.db2.gz CDYZXFCQDBVABQ-GOSISDBHSA-N 1 2 338.455 2.433 20 30 EEEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3cc(C#N)ccc3Cl)CC2)S1 ZINC000285782259 267068884 /nfs/dbraw/zinc/06/88/84/267068884.db2.gz UGDOPDUAZWMMJY-LLVKDONJSA-N 1 2 348.859 2.461 20 30 EEEDLO C[C@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000285368619 267171103 /nfs/dbraw/zinc/17/11/03/267171103.db2.gz MIMPWXFJLPFYDK-KBPBESRZSA-N 1 2 347.434 2.200 20 30 EEEDLO Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000277506592 267355199 /nfs/dbraw/zinc/35/51/99/267355199.db2.gz BEGUUMIQHMTIKE-CXAGYDPISA-N 1 2 344.440 2.335 20 30 EEEDLO COC(=O)[C@](C)(CNc1cc(C)[nH+]cc1C#N)c1ccc(F)cc1 ZINC000425264753 267392680 /nfs/dbraw/zinc/39/26/80/267392680.db2.gz XNFXERBOFUMLJZ-GOSISDBHSA-N 1 2 327.359 2.366 20 30 EEEDLO N#Cc1cnc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c(F)c1 ZINC000413267364 268312841 /nfs/dbraw/zinc/31/28/41/268312841.db2.gz LEBGMSJZMWDKAC-MSOLQXFVSA-N 1 2 338.386 2.182 20 30 EEEDLO N#Cc1cnc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c(F)c1 ZINC000413267364 268312844 /nfs/dbraw/zinc/31/28/44/268312844.db2.gz LEBGMSJZMWDKAC-MSOLQXFVSA-N 1 2 338.386 2.182 20 30 EEEDLO N#Cc1nc(NC[C@@]2([NH+]3CCOCC3)CCSC2)ccc1Cl ZINC000301154079 268324796 /nfs/dbraw/zinc/32/47/96/268324796.db2.gz QMFAXLXSFGUAAH-HNNXBMFYSA-N 1 2 338.864 2.226 20 30 EEEDLO N#Cc1nc(NC[C@]2([NH+]3CCOCC3)CCSC2)ccc1Cl ZINC000301154080 268325022 /nfs/dbraw/zinc/32/50/22/268325022.db2.gz QMFAXLXSFGUAAH-OAHLLOKOSA-N 1 2 338.864 2.226 20 30 EEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000274707386 269045317 /nfs/dbraw/zinc/04/53/17/269045317.db2.gz WTDPDPPQIGCJOJ-UHFFFAOYSA-N 1 2 339.848 2.070 20 30 EEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)CSCc1ccc(C#N)cc1 ZINC000170863092 311397393 /nfs/dbraw/zinc/39/73/93/311397393.db2.gz OHHYJPOMURMRPO-UHFFFAOYSA-N 1 2 347.484 2.018 20 30 EEEDLO CC1(C)COCC[N@H+]1CCNC(=O)CSCc1ccc(C#N)cc1 ZINC000170863092 311397394 /nfs/dbraw/zinc/39/73/94/311397394.db2.gz OHHYJPOMURMRPO-UHFFFAOYSA-N 1 2 347.484 2.018 20 30 EEEDLO Cc1nnc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000542611742 318133761 /nfs/dbraw/zinc/13/37/61/318133761.db2.gz LERNDEXYUHKLPV-ABAIWWIYSA-N 1 2 325.372 2.096 20 30 EEEDLO CN1C(=O)C[C@@H]([NH2+]Cc2nc(C#N)cs2)[C@H]1c1ccc(F)c(F)c1 ZINC000565803993 319215594 /nfs/dbraw/zinc/21/55/94/319215594.db2.gz YTEWYSFEMCCZRA-CZUORRHYSA-N 1 2 348.378 2.355 20 30 EEEDLO CCCC[C@H]([NH2+]C[C@@H]1CNc2c(C#N)cnn2C1)C(=O)OC(C)(C)C ZINC000566560980 319301073 /nfs/dbraw/zinc/30/10/73/319301073.db2.gz ASAOZOBGVKYTER-HIFRSBDPSA-N 1 2 347.463 2.287 20 30 EEEDLO C[C@H](CC(=O)N1CCN(c2cccc(F)c2C#N)CC1)n1cc[nH+]c1 ZINC000574695724 320049004 /nfs/dbraw/zinc/04/90/04/320049004.db2.gz XYQBYPNCTQZFAU-CQSZACIVSA-N 1 2 341.390 2.194 20 30 EEEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000577689068 320269388 /nfs/dbraw/zinc/26/93/88/320269388.db2.gz RYUXVTMGVYLNIR-UHFFFAOYSA-N 1 2 333.395 2.156 20 30 EEEDLO N#Cc1ccncc1N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000578003101 320288331 /nfs/dbraw/zinc/28/83/31/320288331.db2.gz DZXAFCLUZPBYGB-UHFFFAOYSA-N 1 2 349.442 2.060 20 30 EEEDLO N#Cc1ccncc1N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000578003101 320288333 /nfs/dbraw/zinc/28/83/33/320288333.db2.gz DZXAFCLUZPBYGB-UHFFFAOYSA-N 1 2 349.442 2.060 20 30 EEEDLO Cc1cccc(C)c1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000581440962 324255401 /nfs/dbraw/zinc/25/54/01/324255401.db2.gz XMYOFBXXWIGJSH-UHFFFAOYSA-N 1 2 337.423 2.217 20 30 EEEDLO C[C@@H]1C[N@H+](CCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000525193385 447975970 /nfs/dbraw/zinc/97/59/70/447975970.db2.gz VXRNNLZCYRTCQV-GFCCVEGCSA-N 1 2 341.371 2.147 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000525193385 447975976 /nfs/dbraw/zinc/97/59/76/447975976.db2.gz VXRNNLZCYRTCQV-GFCCVEGCSA-N 1 2 341.371 2.147 20 30 EEEDLO C=CC1CC[NH+](Cc2nnc3n2c2ccsc2c(=O)n3C)CC1 ZINC000111258500 463672766 /nfs/dbraw/zinc/67/27/66/463672766.db2.gz NHKVFHIQTFJBPQ-UHFFFAOYSA-N 1 2 329.429 2.041 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@@]3(CNC(=O)C3)C1)CCC2 ZINC000328642261 465085880 /nfs/dbraw/zinc/08/58/80/465085880.db2.gz DQOMDMFAJOCEOD-KBXCAEBGSA-N 1 2 345.447 2.425 20 30 EEEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CC[C@@H](C2CCOCC2)C1 ZINC000328842010 465144079 /nfs/dbraw/zinc/14/40/79/465144079.db2.gz OYRDBDBOPGVXCB-OAHLLOKOSA-N 1 2 332.448 2.382 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000339229577 465153123 /nfs/dbraw/zinc/15/31/23/465153123.db2.gz OWMIQCAULFDBKU-KRWDZBQOSA-N 1 2 344.459 2.218 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000339229577 465153128 /nfs/dbraw/zinc/15/31/28/465153128.db2.gz OWMIQCAULFDBKU-KRWDZBQOSA-N 1 2 344.459 2.218 20 30 EEEDLO C[C@H](C(=O)NCC(=O)N(C)C1CCCCC1)[NH+]1CCSCC1 ZINC000328933145 465172586 /nfs/dbraw/zinc/17/25/86/465172586.db2.gz IMMLPRLYNGQKDS-CYBMUJFWSA-N 1 2 327.494 2.171 20 30 EEEDLO CN1CC[N@H+](Cc2cc(C#N)cs2)C[C@@H]1c1nc(C2CC2)no1 ZINC000328939874 465175365 /nfs/dbraw/zinc/17/53/65/465175365.db2.gz KOIJKZVDOOBIGH-CQSZACIVSA-N 1 2 329.429 2.369 20 30 EEEDLO CN1CC[N@@H+](Cc2cc(C#N)cs2)C[C@@H]1c1nc(C2CC2)no1 ZINC000328939874 465175369 /nfs/dbraw/zinc/17/53/69/465175369.db2.gz KOIJKZVDOOBIGH-CQSZACIVSA-N 1 2 329.429 2.369 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)C1=O ZINC000337174963 465228907 /nfs/dbraw/zinc/22/89/07/465228907.db2.gz HMYBJLHLGCFYNU-SCTDSRPQSA-N 1 2 327.472 2.368 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)C1=O ZINC000337174963 465228909 /nfs/dbraw/zinc/22/89/09/465228909.db2.gz HMYBJLHLGCFYNU-SCTDSRPQSA-N 1 2 327.472 2.368 20 30 EEEDLO CC(C)(CC#N)CS(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000296731686 465232287 /nfs/dbraw/zinc/23/22/87/465232287.db2.gz OCMHIOZDLBXMBH-UHFFFAOYSA-N 1 2 332.429 2.232 20 30 EEEDLO C=CC[C@@H](CO)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000341685923 465253825 /nfs/dbraw/zinc/25/38/25/465253825.db2.gz UIPXVISCPGTABU-CZUORRHYSA-N 1 2 346.406 2.132 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000337232879 465257652 /nfs/dbraw/zinc/25/76/52/465257652.db2.gz VYCIUYPJLXPKAD-RISCZKNCSA-N 1 2 341.814 2.110 20 30 EEEDLO CCC(=O)N[C@H](C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)c1ccccc1 ZINC000329188357 465262146 /nfs/dbraw/zinc/26/21/46/465262146.db2.gz PIGWTBFKXCSTOA-RYRKJORJSA-N 1 2 345.443 2.026 20 30 EEEDLO CCC(=O)N[C@H](C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)c1ccccc1 ZINC000329188357 465262150 /nfs/dbraw/zinc/26/21/50/465262150.db2.gz PIGWTBFKXCSTOA-RYRKJORJSA-N 1 2 345.443 2.026 20 30 EEEDLO C#Cc1cccc(NC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)c1 ZINC000297596989 465263581 /nfs/dbraw/zinc/26/35/81/465263581.db2.gz FORLRJGTAAMNHS-OAHLLOKOSA-N 1 2 326.400 2.283 20 30 EEEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2OC)CC1)C(C)C ZINC000297942947 465275955 /nfs/dbraw/zinc/27/59/55/465275955.db2.gz KFRWAHTVYQKSED-QGZVFWFLSA-N 1 2 329.444 2.180 20 30 EEEDLO C=C[C@H]1CCCCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000356058554 465289269 /nfs/dbraw/zinc/28/92/69/465289269.db2.gz OZDLLHFYLVWPLW-JKSUJKDBSA-N 1 2 332.448 2.050 20 30 EEEDLO C=C[C@H]1CCCCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000356058554 465289275 /nfs/dbraw/zinc/28/92/75/465289275.db2.gz OZDLLHFYLVWPLW-JKSUJKDBSA-N 1 2 332.448 2.050 20 30 EEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000568180826 468287216 /nfs/dbraw/zinc/28/72/16/468287216.db2.gz CWMJVCJBUSWMJM-LSDHHAIUSA-N 1 2 330.432 2.029 20 30 EEEDLO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000074917445 462653704 /nfs/dbraw/zinc/65/37/04/462653704.db2.gz YNIPRKDYHLYVNU-YJBOKZPZSA-N 1 2 342.443 2.125 20 30 EEEDLO COC(=O)c1cccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046527220 462687148 /nfs/dbraw/zinc/68/71/48/462687148.db2.gz JNWYNYHZLJSRHB-UHFFFAOYSA-N 1 2 337.379 2.415 20 30 EEEDLO COC(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046527220 462687152 /nfs/dbraw/zinc/68/71/52/462687152.db2.gz JNWYNYHZLJSRHB-UHFFFAOYSA-N 1 2 337.379 2.415 20 30 EEEDLO COc1ccc([C@@H](NC(=O)c2ccc(C#N)[nH]2)c2[nH+]ccn2C)cc1 ZINC000153870400 462703100 /nfs/dbraw/zinc/70/31/00/462703100.db2.gz NEWCQBVAGVFELH-MRXNPFEDSA-N 1 2 335.367 2.148 20 30 EEEDLO C=C[C@H](CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000130866505 462779624 /nfs/dbraw/zinc/77/96/24/462779624.db2.gz NUCIBEDCRYKFCH-QGZVFWFLSA-N 1 2 338.455 2.424 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ncccc2F)CC1 ZINC000090630728 462804036 /nfs/dbraw/zinc/80/40/36/462804036.db2.gz DXAIRXSNCVHDQF-HNNXBMFYSA-N 1 2 334.439 2.156 20 30 EEEDLO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1=O ZINC000076153238 462815739 /nfs/dbraw/zinc/81/57/39/462815739.db2.gz ZCZNHBBDVWHDLY-JKSUJKDBSA-N 1 2 340.427 2.089 20 30 EEEDLO CC1(C)NC(=O)N(CC[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1=O ZINC000076153238 462815744 /nfs/dbraw/zinc/81/57/44/462815744.db2.gz ZCZNHBBDVWHDLY-JKSUJKDBSA-N 1 2 340.427 2.089 20 30 EEEDLO C[N@@H+](Cc1nccn1C(F)F)C[C@H](O)COc1ccc(C#N)cc1 ZINC000076647499 462889973 /nfs/dbraw/zinc/88/99/73/462889973.db2.gz PNPCHRIMNURLBN-ZDUSSCGKSA-N 1 2 336.342 2.022 20 30 EEEDLO C[N@H+](Cc1nccn1C(F)F)C[C@H](O)COc1ccc(C#N)cc1 ZINC000076647499 462889977 /nfs/dbraw/zinc/88/99/77/462889977.db2.gz PNPCHRIMNURLBN-ZDUSSCGKSA-N 1 2 336.342 2.022 20 30 EEEDLO CCN(CC)C(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000119620187 462917417 /nfs/dbraw/zinc/91/74/17/462917417.db2.gz AINJUYXYGPYQIN-FUHWJXTLSA-N 1 2 328.460 2.126 20 30 EEEDLO CC(C)CCNC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000119617772 462917706 /nfs/dbraw/zinc/91/77/06/462917706.db2.gz AIQCOHQDDMTKPM-HKUYNNGSSA-N 1 2 342.487 2.420 20 30 EEEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000133780166 462970143 /nfs/dbraw/zinc/97/01/43/462970143.db2.gz GKRGXRHFSSFVAQ-IMFGXOCKSA-N 1 2 341.455 2.476 20 30 EEEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000133780166 462970146 /nfs/dbraw/zinc/97/01/46/462970146.db2.gz GKRGXRHFSSFVAQ-IMFGXOCKSA-N 1 2 341.455 2.476 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCN(C(=O)CC)CC2)c1C ZINC000077388813 462978452 /nfs/dbraw/zinc/97/84/52/462978452.db2.gz CXBQGLMKEXQGQW-UHFFFAOYSA-N 1 2 331.460 2.418 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCN(C(=O)CC)CC2)c1C ZINC000077388813 462978457 /nfs/dbraw/zinc/97/84/57/462978457.db2.gz CXBQGLMKEXQGQW-UHFFFAOYSA-N 1 2 331.460 2.418 20 30 EEEDLO CC[N@@H+](CC(=O)N1CCN(c2cccc(C)c2)CC1)C[C@H](C)C#N ZINC000049982414 462982981 /nfs/dbraw/zinc/98/29/81/462982981.db2.gz YDHHWCNJZBYPCL-QGZVFWFLSA-N 1 2 328.460 2.125 20 30 EEEDLO CC[N@H+](CC(=O)N1CCN(c2cccc(C)c2)CC1)C[C@H](C)C#N ZINC000049982414 462982988 /nfs/dbraw/zinc/98/29/88/462982988.db2.gz YDHHWCNJZBYPCL-QGZVFWFLSA-N 1 2 328.460 2.125 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NC2CC[NH+](CC(C)C)CC2)cc1C#N ZINC000067593389 463023792 /nfs/dbraw/zinc/02/37/92/463023792.db2.gz HIPFBALYVZBIAB-UHFFFAOYSA-N 1 2 348.472 2.231 20 30 EEEDLO CC(C)[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1nc(-c2nc[nH]n2)no1 ZINC000120860879 463047859 /nfs/dbraw/zinc/04/78/59/463047859.db2.gz SNJHROIXSJVVRV-CYBMUJFWSA-N 1 2 341.350 2.352 20 30 EEEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)Cc3ccccc3)CC2)c1 ZINC000051831408 463050048 /nfs/dbraw/zinc/05/00/48/463050048.db2.gz HBOZKSLYKGZBPG-UHFFFAOYSA-N 1 2 349.434 2.324 20 30 EEEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000029860562 463275676 /nfs/dbraw/zinc/27/56/76/463275676.db2.gz YZLHUIWNCFEBGC-UHFFFAOYSA-N 1 2 338.386 2.118 20 30 EEEDLO Cc1ccc(-c2noc(CN3CC[NH+](CCCC#N)CC3)n2)cc1 ZINC000055121312 463287435 /nfs/dbraw/zinc/28/74/35/463287435.db2.gz ZJSWREUAWDVCGV-UHFFFAOYSA-N 1 2 325.416 2.466 20 30 EEEDLO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000097047126 463310047 /nfs/dbraw/zinc/31/00/47/463310047.db2.gz WXQVVUDAOPQVTG-AWEZNQCLSA-N 1 2 336.233 2.421 20 30 EEEDLO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000097047126 463310050 /nfs/dbraw/zinc/31/00/50/463310050.db2.gz WXQVVUDAOPQVTG-AWEZNQCLSA-N 1 2 336.233 2.421 20 30 EEEDLO C=C(C)CN(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000097047964 463310657 /nfs/dbraw/zinc/31/06/57/463310657.db2.gz RGWGGVIPJUQIAQ-UHFFFAOYSA-N 1 2 344.459 2.307 20 30 EEEDLO COCCN(CCC#N)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000103215248 463397552 /nfs/dbraw/zinc/39/75/52/463397552.db2.gz APPHZTPFQZNCOA-UHFFFAOYSA-N 1 2 346.456 2.265 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000032830890 463397960 /nfs/dbraw/zinc/39/79/60/463397960.db2.gz GVPCZXAEPXWXTN-BEFAXECRSA-N 1 2 346.450 2.391 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000081512597 463451208 /nfs/dbraw/zinc/45/12/08/463451208.db2.gz XDFNNJSNBIXJFS-KRWDZBQOSA-N 1 2 329.425 2.497 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000081512597 463451211 /nfs/dbraw/zinc/45/12/11/463451211.db2.gz XDFNNJSNBIXJFS-KRWDZBQOSA-N 1 2 329.425 2.497 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(Cl)c1 ZINC000072306511 463508521 /nfs/dbraw/zinc/50/85/21/463508521.db2.gz GRUVZLJZWLFDGD-UHFFFAOYSA-N 1 2 336.823 2.420 20 30 EEEDLO N#Cc1cc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)ccc1F ZINC000082184755 463520853 /nfs/dbraw/zinc/52/08/53/463520853.db2.gz JPSMUKSNSZRLEC-UHFFFAOYSA-N 1 2 338.386 2.118 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[NH+]1CCC(C#N)CC1 ZINC000057877109 463526277 /nfs/dbraw/zinc/52/62/77/463526277.db2.gz OSGLBZOKWCXGEU-AWEZNQCLSA-N 1 2 340.427 2.376 20 30 EEEDLO COc1ccc(OC)c([C@@H](C)NC(=O)C[NH+]2CCC(C#N)CC2)c1 ZINC000057906398 463528323 /nfs/dbraw/zinc/52/83/23/463528323.db2.gz XHGAZGBQDQYPRJ-CYBMUJFWSA-N 1 2 331.416 2.117 20 30 EEEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C(=O)NC(C2CC2)(C2CC2)C1=O ZINC000058430843 463598753 /nfs/dbraw/zinc/59/87/53/463598753.db2.gz FZCBIRUNBVUDFL-UHFFFAOYSA-N 1 2 338.411 2.058 20 30 EEEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C(=O)NC(C2CC2)(C2CC2)C1=O ZINC000058430843 463598758 /nfs/dbraw/zinc/59/87/58/463598758.db2.gz FZCBIRUNBVUDFL-UHFFFAOYSA-N 1 2 338.411 2.058 20 30 EEEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000073614982 463631916 /nfs/dbraw/zinc/63/19/16/463631916.db2.gz KJVSLZLKTNUKOE-UHFFFAOYSA-N 1 2 343.427 2.248 20 30 EEEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000073614982 463631922 /nfs/dbraw/zinc/63/19/22/463631922.db2.gz KJVSLZLKTNUKOE-UHFFFAOYSA-N 1 2 343.427 2.248 20 30 EEEDLO C=C(Br)C[NH2+][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000184864659 463709149 /nfs/dbraw/zinc/70/91/49/463709149.db2.gz UEECYZZOZNFXCN-MRVPVSSYSA-N 1 2 327.186 2.050 20 30 EEEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccccc3OC)oc2=S)CC1 ZINC000044756541 463692914 /nfs/dbraw/zinc/69/29/14/463692914.db2.gz JGDNZEDWTQGRJA-UHFFFAOYSA-N 1 2 344.440 2.089 20 30 EEEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)[nH]1 ZINC000268532733 463783962 /nfs/dbraw/zinc/78/39/62/463783962.db2.gz ZAWKOPIMUOMPER-DOMZBBRYSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1nnc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)[nH]1 ZINC000268532733 463783966 /nfs/dbraw/zinc/78/39/66/463783966.db2.gz ZAWKOPIMUOMPER-DOMZBBRYSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000268532733 463783972 /nfs/dbraw/zinc/78/39/72/463783972.db2.gz ZAWKOPIMUOMPER-DOMZBBRYSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000268532733 463783979 /nfs/dbraw/zinc/78/39/79/463783979.db2.gz ZAWKOPIMUOMPER-DOMZBBRYSA-N 1 2 338.415 2.191 20 30 EEEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000268937763 463815928 /nfs/dbraw/zinc/81/59/28/463815928.db2.gz CUXOAJCCUCVJPP-NOPJKMJJSA-N 1 2 333.388 2.097 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc2onc(C(C)(C)C)c2c1 ZINC000579599038 468383100 /nfs/dbraw/zinc/38/31/00/468383100.db2.gz WPQQBQUHCFHNMM-QGZVFWFLSA-N 1 2 329.404 2.094 20 30 EEEDLO COc1cc(C[NH2+]C[C@H](C)C#N)c([N+](=O)[O-])cc1OCC(F)F ZINC000542693074 468387124 /nfs/dbraw/zinc/38/71/24/468387124.db2.gz WREHPRQADIXEOC-SECBINFHSA-N 1 2 329.303 2.497 20 30 EEEDLO CC[C@H](c1ccncc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290127357 464108714 /nfs/dbraw/zinc/10/87/14/464108714.db2.gz ZGHBGSYLUYDNDS-MRXNPFEDSA-N 1 2 344.440 2.205 20 30 EEEDLO CC[C@H](c1ccncc1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290127357 464108718 /nfs/dbraw/zinc/10/87/18/464108718.db2.gz ZGHBGSYLUYDNDS-MRXNPFEDSA-N 1 2 344.440 2.205 20 30 EEEDLO CC(C)(C#N)c1ccc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000279635664 464118130 /nfs/dbraw/zinc/11/81/30/464118130.db2.gz CKRJTBQKJGGIDF-UHFFFAOYSA-N 1 2 329.444 2.328 20 30 EEEDLO CC(C)(C#N)c1ccc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1 ZINC000279635664 464118137 /nfs/dbraw/zinc/11/81/37/464118137.db2.gz CKRJTBQKJGGIDF-UHFFFAOYSA-N 1 2 329.444 2.328 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000292469219 464243835 /nfs/dbraw/zinc/24/38/35/464243835.db2.gz ZPGDAJBCDMXAAF-OAHLLOKOSA-N 1 2 332.423 2.098 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000292469219 464243843 /nfs/dbraw/zinc/24/38/43/464243843.db2.gz ZPGDAJBCDMXAAF-OAHLLOKOSA-N 1 2 332.423 2.098 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(CC)cc2)C1=O ZINC000281228900 464378116 /nfs/dbraw/zinc/37/81/16/464378116.db2.gz FHLQOXQJBKBDCI-PBHICJAKSA-N 1 2 329.444 2.295 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(CC)cc2)C1=O ZINC000281228900 464378123 /nfs/dbraw/zinc/37/81/23/464378123.db2.gz FHLQOXQJBKBDCI-PBHICJAKSA-N 1 2 329.444 2.295 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NCc2ccc(Cl)cc2)C1=O ZINC000281237186 464381766 /nfs/dbraw/zinc/38/17/66/464381766.db2.gz FTNPDZBLEUOFTK-CJNGLKHVSA-N 1 2 349.862 2.063 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NCc2ccc(Cl)cc2)C1=O ZINC000281237186 464381767 /nfs/dbraw/zinc/38/17/67/464381767.db2.gz FTNPDZBLEUOFTK-CJNGLKHVSA-N 1 2 349.862 2.063 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C(=O)N(CC)CC)c2ccccc2)C1=O ZINC000281235076 464381927 /nfs/dbraw/zinc/38/19/27/464381927.db2.gz FRCHAFVUAPWWJL-MSOLQXFVSA-N 1 2 343.471 2.315 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C(=O)N(CC)CC)c2ccccc2)C1=O ZINC000281235076 464381933 /nfs/dbraw/zinc/38/19/33/464381933.db2.gz FRCHAFVUAPWWJL-MSOLQXFVSA-N 1 2 343.471 2.315 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2)C1=O ZINC000281253851 464388012 /nfs/dbraw/zinc/38/80/12/464388012.db2.gz GZJLOAGFKCLGFY-SWLSCSKDSA-N 1 2 335.835 2.386 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2)C1=O ZINC000281253851 464388019 /nfs/dbraw/zinc/38/80/19/464388019.db2.gz GZJLOAGFKCLGFY-SWLSCSKDSA-N 1 2 335.835 2.386 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(C)c(C)c2)C1=O ZINC000281258654 464390564 /nfs/dbraw/zinc/39/05/64/464390564.db2.gz HHTLHHPLTLQGOQ-WBVHZDCISA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(C)c(C)c2)C1=O ZINC000281258654 464390569 /nfs/dbraw/zinc/39/05/69/464390569.db2.gz HHTLHHPLTLQGOQ-WBVHZDCISA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N(CC)Cc2ccccc2)C1=O ZINC000281432757 464453872 /nfs/dbraw/zinc/45/38/72/464453872.db2.gz SPQYPTWKJAMREJ-AEFFLSMTSA-N 1 2 343.471 2.142 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N(CC)Cc2ccccc2)C1=O ZINC000281432757 464453875 /nfs/dbraw/zinc/45/38/75/464453875.db2.gz SPQYPTWKJAMREJ-AEFFLSMTSA-N 1 2 343.471 2.142 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccccc2OCC)C1=O ZINC000281441064 464455565 /nfs/dbraw/zinc/45/55/65/464455565.db2.gz TYORBHRYVQEWEM-ZBFHGGJFSA-N 1 2 345.443 2.131 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccccc2OCC)C1=O ZINC000281441064 464455570 /nfs/dbraw/zinc/45/55/70/464455570.db2.gz TYORBHRYVQEWEM-ZBFHGGJFSA-N 1 2 345.443 2.131 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000281480085 464470736 /nfs/dbraw/zinc/47/07/36/464470736.db2.gz PSTQWVNVPINWKH-VQIMIIECSA-N 1 2 344.455 2.230 20 30 EEEDLO CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000175151101 464498007 /nfs/dbraw/zinc/49/80/07/464498007.db2.gz ZUMDRJVFINDCSZ-AWEZNQCLSA-N 1 2 332.423 2.075 20 30 EEEDLO CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@@H](O)C(F)(F)F ZINC000189487489 464517470 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Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)C[S@@](C)=O)c1 ZINC000248482419 464758600 /nfs/dbraw/zinc/75/86/00/464758600.db2.gz IWHDNUBBNNZPCO-UPCLLVRISA-N 1 2 349.500 2.249 20 30 EEEDLO Cc1nc(N2CCC(CC#N)CC2)nc(N2CCC(CC#N)CC2)[nH+]1 ZINC000547835136 468423127 /nfs/dbraw/zinc/42/31/27/468423127.db2.gz YMIPSVUAHWXIKE-UHFFFAOYSA-N 1 2 339.447 2.440 20 30 EEEDLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000249043967 464833450 /nfs/dbraw/zinc/83/34/50/464833450.db2.gz HDZKMZQDHSFIOB-AUUYWEPGSA-N 1 2 344.434 2.145 20 30 EEEDLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000249043967 464833455 /nfs/dbraw/zinc/83/34/55/464833455.db2.gz HDZKMZQDHSFIOB-AUUYWEPGSA-N 1 2 344.434 2.145 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1(C)C ZINC000295447849 464838507 /nfs/dbraw/zinc/83/85/07/464838507.db2.gz YWMMJJCAJGQIPI-AWEZNQCLSA-N 1 2 348.403 2.203 20 30 EEEDLO C[C@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H](CO)O1 ZINC000249373914 464867653 /nfs/dbraw/zinc/86/76/53/464867653.db2.gz PMHJFFVAMYFUFT-WFASDCNBSA-N 1 2 329.318 2.018 20 30 EEEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H](CO)O1 ZINC000249373914 464867657 /nfs/dbraw/zinc/86/76/57/464867657.db2.gz PMHJFFVAMYFUFT-WFASDCNBSA-N 1 2 329.318 2.018 20 30 EEEDLO Cc1cc(S(=O)(=O)N2CC[NH+]([C@H](C)CCC#N)CC2)c(C)s1 ZINC000276298909 464881653 /nfs/dbraw/zinc/88/16/53/464881653.db2.gz JLSGORWMTJTLSP-GFCCVEGCSA-N 1 2 341.502 2.364 20 30 EEEDLO C[C@H](NC(=O)NC[C@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)OCO2 ZINC000329961105 465488600 /nfs/dbraw/zinc/48/86/00/465488600.db2.gz RKMHUZZRKDTYLP-QWHCGFSZSA-N 1 2 342.399 2.439 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000249736194 464909765 /nfs/dbraw/zinc/90/97/65/464909765.db2.gz DZXOEZVXTITBOE-NUJGCVRESA-N 1 2 329.444 2.457 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000249736194 464909772 /nfs/dbraw/zinc/90/97/72/464909772.db2.gz DZXOEZVXTITBOE-NUJGCVRESA-N 1 2 329.444 2.457 20 30 EEEDLO N#CCC[N@H+](CCCOCCc1ccccc1)CCN1CCOCC1 ZINC000267104137 464916806 /nfs/dbraw/zinc/91/68/06/464916806.db2.gz VDSVBLIDJKGEEZ-UHFFFAOYSA-N 1 2 345.487 2.184 20 30 EEEDLO N#CCC[N@@H+](CCCOCCc1ccccc1)CCN1CCOCC1 ZINC000267104137 464916811 /nfs/dbraw/zinc/91/68/11/464916811.db2.gz VDSVBLIDJKGEEZ-UHFFFAOYSA-N 1 2 345.487 2.184 20 30 EEEDLO N#CCCN(CCCOCCc1ccccc1)CC[NH+]1CCOCC1 ZINC000267104137 464916820 /nfs/dbraw/zinc/91/68/20/464916820.db2.gz VDSVBLIDJKGEEZ-UHFFFAOYSA-N 1 2 345.487 2.184 20 30 EEEDLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000295756837 464954189 /nfs/dbraw/zinc/95/41/89/464954189.db2.gz VIEZOMRVDJYEBU-CQSZACIVSA-N 1 2 341.390 2.056 20 30 EEEDLO CC[C@H]1CC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000268323839 465016989 /nfs/dbraw/zinc/01/69/89/465016989.db2.gz LOFMQMYKHMESDK-ZWKOTPCHSA-N 1 2 327.428 2.160 20 30 EEEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)N[C@H]1CCCc2ccccc21 ZINC000329416480 465326258 /nfs/dbraw/zinc/32/62/58/465326258.db2.gz FSGMCVBLVQFBLO-GJZGRUSLSA-N 1 2 342.399 2.097 20 30 EEEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)N[C@H]1CCCc2ccccc21 ZINC000329416480 465326264 /nfs/dbraw/zinc/32/62/64/465326264.db2.gz FSGMCVBLVQFBLO-GJZGRUSLSA-N 1 2 342.399 2.097 20 30 EEEDLO CC(C)(CNC(=O)Nc1cnc2c(c1)CCCC2)[NH+]1CCOCC1 ZINC000329477318 465346604 /nfs/dbraw/zinc/34/66/04/465346604.db2.gz UKXNAYWOAZARTQ-UHFFFAOYSA-N 1 2 332.448 2.397 20 30 EEEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccon2)c(OC)c1 ZINC000351901961 465431079 /nfs/dbraw/zinc/43/10/79/465431079.db2.gz IIPUZTLJULRQMO-INIZCTEOSA-N 1 2 332.400 2.283 20 30 EEEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccon2)c(OC)c1 ZINC000351901961 465431085 /nfs/dbraw/zinc/43/10/85/465431085.db2.gz IIPUZTLJULRQMO-INIZCTEOSA-N 1 2 332.400 2.283 20 30 EEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(NC(=O)C4CC4)c3)C[C@H]21 ZINC000329928098 465476768 /nfs/dbraw/zinc/47/67/68/465476768.db2.gz MDVPLLYNPNIVMQ-HZPDHXFCSA-N 1 2 344.415 2.245 20 30 EEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(NC(=O)C4CC4)c3)C[C@H]21 ZINC000329928098 465476771 /nfs/dbraw/zinc/47/67/71/465476771.db2.gz MDVPLLYNPNIVMQ-HZPDHXFCSA-N 1 2 344.415 2.245 20 30 EEEDLO O=C(NC1CC1)[C@@H](O)C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000548351672 468434723 /nfs/dbraw/zinc/43/47/23/468434723.db2.gz VBNMSXDLRGEMRM-SFHVURJKSA-N 1 2 346.858 2.043 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000352314405 465515388 /nfs/dbraw/zinc/51/53/88/465515388.db2.gz JSYDBWWMXLCVEI-OWCLPIDISA-N 1 2 332.448 2.154 20 30 EEEDLO Cc1ccc2c([n-]cc(C(=O)NC[C@@]3([NH+](C)C)CCSC3)c2=O)[nH+]1 ZINC000330043472 465515722 /nfs/dbraw/zinc/51/57/22/465515722.db2.gz HHSMACLEBBGLML-KRWDZBQOSA-N 1 2 346.456 2.386 20 30 EEEDLO Cc1ccc2c(n1)[nH]cc(C(=O)NC[C@@]1([NH+](C)C)CCSC1)c2=O ZINC000330043472 465515724 /nfs/dbraw/zinc/51/57/24/465515724.db2.gz HHSMACLEBBGLML-KRWDZBQOSA-N 1 2 346.456 2.386 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccnn1C ZINC000348366631 465568771 /nfs/dbraw/zinc/56/87/71/465568771.db2.gz QMMJAOFIBKIUFE-OAHLLOKOSA-N 1 2 325.416 2.187 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccnn1C ZINC000348366631 465568777 /nfs/dbraw/zinc/56/87/77/465568777.db2.gz QMMJAOFIBKIUFE-OAHLLOKOSA-N 1 2 325.416 2.187 20 30 EEEDLO COCCOc1cc2c(cc1C[NH+]1CCC(F)(C#N)CC1)OCO2 ZINC000348707756 465750460 /nfs/dbraw/zinc/75/04/60/465750460.db2.gz JVSQSAGZIXWQGA-UHFFFAOYSA-N 1 2 336.363 2.268 20 30 EEEDLO CC[C@@H](C)n1nc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1C ZINC000330677326 465758066 /nfs/dbraw/zinc/75/80/66/465758066.db2.gz BGDQPVAWKZWACQ-CYBMUJFWSA-N 1 2 337.468 2.599 20 30 EEEDLO CC[C@@H](C)n1nc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1C ZINC000330677326 465758072 /nfs/dbraw/zinc/75/80/72/465758072.db2.gz BGDQPVAWKZWACQ-CYBMUJFWSA-N 1 2 337.468 2.599 20 30 EEEDLO CNC(=O)c1cccc(C[N@@H+]2CCN(C(=O)N(C)C)CC2(C)C)c1 ZINC000330689800 465763946 /nfs/dbraw/zinc/76/39/46/465763946.db2.gz FGASSUAZFZGWAD-UHFFFAOYSA-N 1 2 332.448 2.199 20 30 EEEDLO CNC(=O)c1cccc(C[N@H+]2CCN(C(=O)N(C)C)CC2(C)C)c1 ZINC000330689800 465763948 /nfs/dbraw/zinc/76/39/48/465763948.db2.gz FGASSUAZFZGWAD-UHFFFAOYSA-N 1 2 332.448 2.199 20 30 EEEDLO Cc1c[nH]c(CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[nH+]1 ZINC000600108117 468459607 /nfs/dbraw/zinc/45/96/07/468459607.db2.gz UCSARKZWCJOPJH-UHFFFAOYSA-N 1 2 338.371 2.160 20 30 EEEDLO C[C@H](CNC(=O)Nc1ncc(C(C)(C)C)s1)[NH+]1CCOCC1 ZINC000331231377 465989224 /nfs/dbraw/zinc/98/92/24/465989224.db2.gz DVHFEYOHTMXLPR-LLVKDONJSA-N 1 2 326.466 2.487 20 30 EEEDLO COc1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc(Cl)c1O ZINC000331276663 466008773 /nfs/dbraw/zinc/00/87/73/466008773.db2.gz RCRUYFUEUXKXFN-JTQLQIEISA-N 1 2 328.796 2.080 20 30 EEEDLO COc1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc(Cl)c1O ZINC000331276663 466008779 /nfs/dbraw/zinc/00/87/79/466008779.db2.gz RCRUYFUEUXKXFN-JTQLQIEISA-N 1 2 328.796 2.080 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCOc2cc(OC)ccc2C1 ZINC000338638210 466281362 /nfs/dbraw/zinc/28/13/62/466281362.db2.gz RNVHWWRADONOKM-OAHLLOKOSA-N 1 2 330.428 2.479 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCOc2cc(OC)ccc2C1 ZINC000338638210 466281372 /nfs/dbraw/zinc/28/13/72/466281372.db2.gz RNVHWWRADONOKM-OAHLLOKOSA-N 1 2 330.428 2.479 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCc2ccc(OCC#N)cc2)C1 ZINC000372301992 466290597 /nfs/dbraw/zinc/29/05/97/466290597.db2.gz MUYQUDHZNIRNKN-HNNXBMFYSA-N 1 2 339.399 2.022 20 30 EEEDLO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000338845219 466421736 /nfs/dbraw/zinc/42/17/36/466421736.db2.gz FIPXJIRRDZXACA-HZPDHXFCSA-N 1 2 333.480 2.279 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000332304977 466498552 /nfs/dbraw/zinc/49/85/52/466498552.db2.gz QWHAEHPKAJFOSP-BFYDXBDKSA-N 1 2 327.432 2.162 20 30 EEEDLO COc1cccc([C@@H](NC(=O)c2c[nH]c(C#N)c2)c2[nH+]ccn2C)c1 ZINC000367705639 466506780 /nfs/dbraw/zinc/50/67/80/466506780.db2.gz OJMDZBDUWKUMFW-MRXNPFEDSA-N 1 2 335.367 2.148 20 30 EEEDLO CCS(=O)(=O)N1CC[N@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000347281369 466532066 /nfs/dbraw/zinc/53/20/66/466532066.db2.gz AFYADZULMYSCKA-OAHLLOKOSA-N 1 2 349.500 2.344 20 30 EEEDLO CCS(=O)(=O)N1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000347281369 466532072 /nfs/dbraw/zinc/53/20/72/466532072.db2.gz AFYADZULMYSCKA-OAHLLOKOSA-N 1 2 349.500 2.344 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000314495159 466552066 /nfs/dbraw/zinc/55/20/66/466552066.db2.gz QVMNSUGCVVPFEG-DOMZBBRYSA-N 1 2 348.244 2.421 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000314495159 466552071 /nfs/dbraw/zinc/55/20/71/466552071.db2.gz QVMNSUGCVVPFEG-DOMZBBRYSA-N 1 2 348.244 2.421 20 30 EEEDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000362186808 466611313 /nfs/dbraw/zinc/61/13/13/466611313.db2.gz CCZOATUKFNHOQE-QAPCUYQASA-N 1 2 343.427 2.138 20 30 EEEDLO CC(C)OC(=O)C[C@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000362186808 466611315 /nfs/dbraw/zinc/61/13/15/466611315.db2.gz CCZOATUKFNHOQE-QAPCUYQASA-N 1 2 343.427 2.138 20 30 EEEDLO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000411169521 466776449 /nfs/dbraw/zinc/77/64/49/466776449.db2.gz TYQZWLDJTBQHHR-ZDUSSCGKSA-N 1 2 339.447 2.365 20 30 EEEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000411169521 466776454 /nfs/dbraw/zinc/77/64/54/466776454.db2.gz TYQZWLDJTBQHHR-ZDUSSCGKSA-N 1 2 339.447 2.365 20 30 EEEDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000370369013 466851895 /nfs/dbraw/zinc/85/18/95/466851895.db2.gz ZDBCTHOPXFODRD-QZTJIDSGSA-N 1 2 345.443 2.189 20 30 EEEDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000370369013 466851901 /nfs/dbraw/zinc/85/19/01/466851901.db2.gz ZDBCTHOPXFODRD-QZTJIDSGSA-N 1 2 345.443 2.189 20 30 EEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCCc3c(cnn3C)C2)c(C#N)c1C ZINC000411863296 466920355 /nfs/dbraw/zinc/92/03/55/466920355.db2.gz ZEOLQVUXUPXVPL-LBPRGKRZSA-N 1 2 341.415 2.277 20 30 EEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCc3c(cnn3C)C2)c(C#N)c1C ZINC000411863296 466920359 /nfs/dbraw/zinc/92/03/59/466920359.db2.gz ZEOLQVUXUPXVPL-LBPRGKRZSA-N 1 2 341.415 2.277 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000365963698 467004754 /nfs/dbraw/zinc/00/47/54/467004754.db2.gz MQUKWOTXYQVTRH-AWEZNQCLSA-N 1 2 330.413 2.158 20 30 EEEDLO COc1cccc(C(=O)N2CCN(c3cc(C)[nH+]cc3C#N)CC2)c1 ZINC000425213231 467088806 /nfs/dbraw/zinc/08/88/06/467088806.db2.gz XTZFDYMBTHCCAE-UHFFFAOYSA-N 1 2 336.395 2.233 20 30 EEEDLO Cc1cc(N[C@H]2CCN(C(=O)CCc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000425247462 467090425 /nfs/dbraw/zinc/09/04/25/467090425.db2.gz ZPXUDNFSSKBNBN-SFHVURJKSA-N 1 2 334.423 2.329 20 30 EEEDLO C[C@@H]1CN(c2ccc(CNc3nccc(C#N)c3Cl)c[nH+]2)CCO1 ZINC000429195445 467311955 /nfs/dbraw/zinc/31/19/55/467311955.db2.gz WFZVSMIMAZXDBX-GFCCVEGCSA-N 1 2 343.818 2.839 20 30 EEEDLO Cc1ccccc1-c1nnc(SC[C@@H](O)C[N@H+](C)CCC#N)o1 ZINC000414089123 467375891 /nfs/dbraw/zinc/37/58/91/467375891.db2.gz AKMAWAGGPBLDQS-ZDUSSCGKSA-N 1 2 332.429 2.344 20 30 EEEDLO Cc1ccccc1-c1nnc(SC[C@@H](O)C[N@@H+](C)CCC#N)o1 ZINC000414089123 467375895 /nfs/dbraw/zinc/37/58/95/467375895.db2.gz AKMAWAGGPBLDQS-ZDUSSCGKSA-N 1 2 332.429 2.344 20 30 EEEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000525893588 467646004 /nfs/dbraw/zinc/64/60/04/467646004.db2.gz HDHRDQPTVWHNMX-MRXNPFEDSA-N 1 2 337.427 2.273 20 30 EEEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000525893588 467646006 /nfs/dbraw/zinc/64/60/06/467646006.db2.gz HDHRDQPTVWHNMX-MRXNPFEDSA-N 1 2 337.427 2.273 20 30 EEEDLO N#Cc1ccc(N2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)c(Cl)c1 ZINC000492903647 467789600 /nfs/dbraw/zinc/78/96/00/467789600.db2.gz UMENDUVIRXMUTJ-DUXPYHPUSA-N 1 2 341.802 2.297 20 30 EEEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000459373060 467956228 /nfs/dbraw/zinc/95/62/28/467956228.db2.gz IHPFEABQCGUYBS-KRWDZBQOSA-N 1 2 329.835 2.419 20 30 EEEDLO COc1cc2c(cc1OC)C[N@H+](Cc1cnc3c(C#N)cnn3c1)CC2 ZINC000515649688 468000565 /nfs/dbraw/zinc/00/05/65/468000565.db2.gz MXYSSXZFPJARSC-UHFFFAOYSA-N 1 2 349.394 2.176 20 30 EEEDLO COc1cc2c(cc1OC)C[N@@H+](Cc1cnc3c(C#N)cnn3c1)CC2 ZINC000515649688 468000567 /nfs/dbraw/zinc/00/05/67/468000567.db2.gz MXYSSXZFPJARSC-UHFFFAOYSA-N 1 2 349.394 2.176 20 30 EEEDLO CC1CC(C#N)(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000531554804 468060466 /nfs/dbraw/zinc/06/04/66/468060466.db2.gz CJRKWNRCDOWGBG-UHFFFAOYSA-N 1 2 326.444 2.312 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc(F)cc1Br ZINC000575063393 468135621 /nfs/dbraw/zinc/13/56/21/468135621.db2.gz ULTBDXOVXXMWLK-AWEZNQCLSA-N 1 2 342.212 2.091 20 30 EEEDLO C=C[C@@H](CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1)c1ccccc1 ZINC000576029701 468157959 /nfs/dbraw/zinc/15/79/59/468157959.db2.gz XAHAXRDTJQYVNJ-SJORKVTESA-N 1 2 344.455 2.348 20 30 EEEDLO C=C[C@@H](CC(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1)c1ccccc1 ZINC000576029701 468157965 /nfs/dbraw/zinc/15/79/65/468157965.db2.gz XAHAXRDTJQYVNJ-SJORKVTESA-N 1 2 344.455 2.348 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000589827858 468186686 /nfs/dbraw/zinc/18/66/86/468186686.db2.gz SKMMDZBISNQVEP-LJQANCHMSA-N 1 2 325.412 2.424 20 30 EEEDLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[NH+]1CCC(CCC#N)CC1 ZINC000567790035 468210641 /nfs/dbraw/zinc/21/06/41/468210641.db2.gz MAZKQLLSPPNOCM-LJQANCHMSA-N 1 2 341.455 2.319 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(F)c(F)cc1Br ZINC000520235392 468237610 /nfs/dbraw/zinc/23/76/10/468237610.db2.gz ZXBZHSPBVUWZIW-ZDUSSCGKSA-N 1 2 346.175 2.301 20 30 EEEDLO C#CC[N@@H+](Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1)C1CCCCC1 ZINC000490899990 468264298 /nfs/dbraw/zinc/26/42/98/468264298.db2.gz SGWYLMNMEGRBKR-SFHVURJKSA-N 1 2 349.500 2.185 20 30 EEEDLO C#CC[N@H+](Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1)C1CCCCC1 ZINC000490899990 468264303 /nfs/dbraw/zinc/26/43/03/468264303.db2.gz SGWYLMNMEGRBKR-SFHVURJKSA-N 1 2 349.500 2.185 20 30 EEEDLO C[C@H](CC#N)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000597546625 468594799 /nfs/dbraw/zinc/59/47/99/468594799.db2.gz VVBIISKWOWTGST-CABCVRRESA-N 1 2 328.416 2.211 20 30 EEEDLO N#Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1Cl ZINC000597706449 468645829 /nfs/dbraw/zinc/64/58/29/468645829.db2.gz GHWRHJKJKDIYIO-OAHLLOKOSA-N 1 2 333.819 2.148 20 30 EEEDLO N#Cc1ccccc1S(=O)(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000594804010 468692660 /nfs/dbraw/zinc/69/26/60/468692660.db2.gz USTNJGMSSKDAHG-UHFFFAOYSA-N 1 2 342.424 2.032 20 30 EEEDLO N#Cc1cnn2cc(C[N@@H+]3CCO[C@]4(CCc5ccccc54)C3)cnc12 ZINC000592500077 468713066 /nfs/dbraw/zinc/71/30/66/468713066.db2.gz QAUNXVPXNTXYAP-HXUWFJFHSA-N 1 2 345.406 2.275 20 30 EEEDLO N#Cc1cnn2cc(C[N@H+]3CCO[C@]4(CCc5ccccc54)C3)cnc12 ZINC000592500077 468713068 /nfs/dbraw/zinc/71/30/68/468713068.db2.gz QAUNXVPXNTXYAP-HXUWFJFHSA-N 1 2 345.406 2.275 20 30 EEEDLO N#Cc1ccc(CC[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1 ZINC000595376504 468831500 /nfs/dbraw/zinc/83/15/00/468831500.db2.gz JRGGCSPRBBGKSF-UHFFFAOYSA-N 1 2 335.407 2.264 20 30 EEEDLO N#Cc1sccc1N1CC[NH+]([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1 ZINC000595629510 468930406 /nfs/dbraw/zinc/93/04/06/468930406.db2.gz FBMOUXWJSWUZBR-IIAWOOMASA-N 1 2 344.484 2.189 20 30 EEEDLO CC(C)N1CCC[C@@H]([NH+]2CCN(c3ccsc3C#N)CC2)C1=O ZINC000595629927 468930907 /nfs/dbraw/zinc/93/09/07/468930907.db2.gz AFEMZENVGVVZIZ-OAHLLOKOSA-N 1 2 332.473 2.141 20 30 EEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595631654 468931923 /nfs/dbraw/zinc/93/19/23/468931923.db2.gz GTWNJSFAFNACOS-ZDUSSCGKSA-N 1 2 332.473 2.189 20 30 EEEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000610489484 468982342 /nfs/dbraw/zinc/98/23/42/468982342.db2.gz IGBPFOPMMZBHLE-UHFFFAOYSA-N 1 2 338.411 2.161 20 30 EEEDLO N#CCc1cccc(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)c1 ZINC000601726637 468987707 /nfs/dbraw/zinc/98/77/07/468987707.db2.gz DIWQBUPUKZZXDA-UHFFFAOYSA-N 1 2 335.407 2.416 20 30 EEEDLO N#Cc1ccsc1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601727863 468989123 /nfs/dbraw/zinc/98/91/23/468989123.db2.gz JCKGSZRXRSHQHL-UHFFFAOYSA-N 1 2 327.409 2.283 20 30 EEEDLO N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000563202936 469196685 /nfs/dbraw/zinc/19/66/85/469196685.db2.gz JAPHIDOTSRREOL-KRWDZBQOSA-N 1 2 349.438 2.056 20 30 EEEDLO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)c1nc(C(C)(C)C)no1 ZINC000599370529 469231847 /nfs/dbraw/zinc/23/18/47/469231847.db2.gz JJJVYXFRFLRGEO-GXTWGEPZSA-N 1 2 344.415 2.329 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1nc2c(s1)CCC2 ZINC000611417319 469245346 /nfs/dbraw/zinc/24/53/46/469245346.db2.gz RTIIADQAASOKSR-GFCCVEGCSA-N 1 2 340.456 2.004 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1nc2c(s1)CCC2 ZINC000611417319 469245351 /nfs/dbraw/zinc/24/53/51/469245351.db2.gz RTIIADQAASOKSR-GFCCVEGCSA-N 1 2 340.456 2.004 20 30 EEEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ccc(CC#N)cc2)cn1 ZINC000564299554 469251090 /nfs/dbraw/zinc/25/10/90/469251090.db2.gz PFCHNQRJBNEPLT-UHFFFAOYSA-N 1 2 348.410 2.025 20 30 EEEDLO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CCOc1ccccc1C#N ZINC000611463175 469254144 /nfs/dbraw/zinc/25/41/44/469254144.db2.gz KWAZRCUBTZNAPP-UHFFFAOYSA-N 1 2 327.428 2.270 20 30 EEEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CCOc1ccccc1C#N ZINC000611463175 469254148 /nfs/dbraw/zinc/25/41/48/469254148.db2.gz KWAZRCUBTZNAPP-UHFFFAOYSA-N 1 2 327.428 2.270 20 30 EEEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000611553583 469277373 /nfs/dbraw/zinc/27/73/73/469277373.db2.gz DTWQXEWSHDTUSL-UHFFFAOYSA-N 1 2 329.400 2.412 20 30 EEEDLO CC(C)(CCC#N)CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000596601652 469310988 /nfs/dbraw/zinc/31/09/88/469310988.db2.gz SNFRSGOCKJHVJH-UHFFFAOYSA-N 1 2 336.480 2.070 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000602440358 469316780 /nfs/dbraw/zinc/31/67/80/469316780.db2.gz JENDYKIFJDPHTD-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000602440358 469316783 /nfs/dbraw/zinc/31/67/83/469316783.db2.gz JENDYKIFJDPHTD-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO N#Cc1cccc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)n1 ZINC000602467899 469328286 /nfs/dbraw/zinc/32/82/86/469328286.db2.gz KOBSPZBWYMMBIR-UHFFFAOYSA-N 1 2 336.424 2.280 20 30 EEEDLO Cc1cc(C#N)cc(NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)c1 ZINC000596928628 469411119 /nfs/dbraw/zinc/41/11/19/469411119.db2.gz YDIDCINQONNWKJ-UHFFFAOYSA-N 1 2 342.443 2.443 20 30 EEEDLO C[C@H](CC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)n1cc[nH+]c1 ZINC000604448259 469479680 /nfs/dbraw/zinc/47/96/80/469479680.db2.gz NNMNTANMCGLMSC-MRXNPFEDSA-N 1 2 337.427 2.050 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000609485336 469932233 /nfs/dbraw/zinc/93/22/33/469932233.db2.gz NPNCIDHCLAESBD-GPQLOAJWSA-N 1 2 334.508 2.236 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000610002218 469974138 /nfs/dbraw/zinc/97/41/38/469974138.db2.gz PZRVHSPPKGETBO-UMVBOHGHSA-N 1 2 349.397 2.473 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000610002218 469974142 /nfs/dbraw/zinc/97/41/42/469974142.db2.gz PZRVHSPPKGETBO-UMVBOHGHSA-N 1 2 349.397 2.473 20 30 EEEDLO Cc1cnc([C@H](C)[NH2+]CC#CCN2C(=O)c3ccccc3C2=O)s1 ZINC000625324088 470119386 /nfs/dbraw/zinc/11/93/86/470119386.db2.gz BOOTYRAIMSKSFX-ZDUSSCGKSA-N 1 2 339.420 2.402 20 30 EEEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccc(C(C)(C)C)cc2)nn1 ZINC000640758565 471018914 /nfs/dbraw/zinc/01/89/14/471018914.db2.gz SLQRTIAJVWHIOT-UHFFFAOYSA-N 1 2 339.443 2.327 20 30 EEEDLO C=CCCn1cc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)nn1 ZINC000653618371 471689375 /nfs/dbraw/zinc/68/93/75/471689375.db2.gz DHVGSTFYIXXSAO-AWEZNQCLSA-N 1 2 332.370 2.380 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2ncc[nH]2)c(OC)c1 ZINC000660144301 471880104 /nfs/dbraw/zinc/88/01/04/471880104.db2.gz SCLWAWVQIYALBI-OAHLLOKOSA-N 1 2 331.416 2.019 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ncc[nH]2)c(OC)c1 ZINC000660144301 471880109 /nfs/dbraw/zinc/88/01/09/471880109.db2.gz SCLWAWVQIYALBI-OAHLLOKOSA-N 1 2 331.416 2.019 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)CN(C)Cc2[nH]cc[nH+]2)c(OC)c1 ZINC000660144301 471880114 /nfs/dbraw/zinc/88/01/14/471880114.db2.gz SCLWAWVQIYALBI-OAHLLOKOSA-N 1 2 331.416 2.019 20 30 EEEDLO C=CCOc1ccc(CC(=O)NCC[N@@H+]2CCO[C@H](CC)C2)cc1 ZINC000451243628 534881013 /nfs/dbraw/zinc/88/10/13/534881013.db2.gz LOCKVLFQDJDPEK-QGZVFWFLSA-N 1 2 332.444 2.021 20 30 EEEDLO C=CCOc1ccc(CC(=O)NCC[N@H+]2CCO[C@H](CC)C2)cc1 ZINC000451243628 534881016 /nfs/dbraw/zinc/88/10/16/534881016.db2.gz LOCKVLFQDJDPEK-QGZVFWFLSA-N 1 2 332.444 2.021 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866631 527610216 /nfs/dbraw/zinc/61/02/16/527610216.db2.gz AYOMTZNZROSZSM-UHFFFAOYSA-N 1 2 347.434 2.157 20 30 EEEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NC(=O)NCc1cccs1 ZINC000109812143 527680917 /nfs/dbraw/zinc/68/09/17/527680917.db2.gz GEZUTWQJWSJJIF-UHFFFAOYSA-N 1 2 336.461 2.336 20 30 EEEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NC(=O)NCc1cccs1 ZINC000109812143 527680921 /nfs/dbraw/zinc/68/09/21/527680921.db2.gz GEZUTWQJWSJJIF-UHFFFAOYSA-N 1 2 336.461 2.336 20 30 EEEDLO CC(C)[C@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)c1[nH]cc[nH+]1 ZINC000451544045 535123639 /nfs/dbraw/zinc/12/36/39/535123639.db2.gz DDNIWUPYWSGDQU-AWEZNQCLSA-N 1 2 336.392 2.237 20 30 EEEDLO CC[C@@H](C)CS(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000264951761 535527527 /nfs/dbraw/zinc/52/75/27/535527527.db2.gz LDORLIMSZHQPQS-OAHLLOKOSA-N 1 2 335.473 2.052 20 30 EEEDLO N#Cc1ccc2[nH+]cc(C=CC(=O)c3ccc(-c4nn[nH]n4)cc3)n2c1 ZINC000737723622 577181943 /nfs/dbraw/zinc/18/19/43/577181943.db2.gz ZRMFWQDDTIKMBS-SREVYHEPSA-N 1 2 341.334 2.282 20 30 EEEDLO Cc1cccc2[nH]c([C@@H](C#N)C(=O)C[N@@H+](C)[C@H]3CCSC3)nc21 ZINC000774106181 577383865 /nfs/dbraw/zinc/38/38/65/577383865.db2.gz VZJARJCPQJUGFZ-STQMWFEESA-N 1 2 328.441 2.485 20 30 EEEDLO Cc1cccc2[nH]c([C@@H](C#N)C(=O)C[N@H+](C)[C@H]3CCSC3)nc21 ZINC000774106181 577383867 /nfs/dbraw/zinc/38/38/67/577383867.db2.gz VZJARJCPQJUGFZ-STQMWFEESA-N 1 2 328.441 2.485 20 30 EEEDLO C#C[C@@H](NC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2)[C@@H]1CCCO1 ZINC000776403654 577459044 /nfs/dbraw/zinc/45/90/44/577459044.db2.gz BAXWEFPLAUJBKB-APWZRJJASA-N 1 2 349.434 2.133 20 30 EEEDLO C#C[C@@H](NC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2)[C@@H]1CCCO1 ZINC000776403654 577459045 /nfs/dbraw/zinc/45/90/45/577459045.db2.gz BAXWEFPLAUJBKB-APWZRJJASA-N 1 2 349.434 2.133 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000777134806 577473778 /nfs/dbraw/zinc/47/37/78/577473778.db2.gz TWWAMXALKYDKBU-UHFFFAOYSA-N 1 2 333.413 2.098 20 30 EEEDLO C=CCn1nnn(C[N@@H+](C)[C@H]2C[C@@H](OC)C2(CC)CC)c1=S ZINC000765124471 577495637 /nfs/dbraw/zinc/49/56/37/577495637.db2.gz MGIBPCCAYXXKIB-QWHCGFSZSA-N 1 2 325.482 2.478 20 30 EEEDLO C=CCn1nnn(C[N@H+](C)[C@H]2C[C@@H](OC)C2(CC)CC)c1=S ZINC000765124471 577495638 /nfs/dbraw/zinc/49/56/38/577495638.db2.gz MGIBPCCAYXXKIB-QWHCGFSZSA-N 1 2 325.482 2.478 20 30 EEEDLO Cc1ccn(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c(=O)c1C#N ZINC000766029694 577511432 /nfs/dbraw/zinc/51/14/32/577511432.db2.gz KPCBQWGPTRDZII-OAHLLOKOSA-N 1 2 331.416 2.040 20 30 EEEDLO Cc1ccn(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c(=O)c1C#N ZINC000766029694 577511433 /nfs/dbraw/zinc/51/14/33/577511433.db2.gz KPCBQWGPTRDZII-OAHLLOKOSA-N 1 2 331.416 2.040 20 30 EEEDLO C[N@H+](CCOc1ccc(F)cc1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766611867 577522078 /nfs/dbraw/zinc/52/20/78/577522078.db2.gz RVDFTSSPBAQSGF-UHFFFAOYSA-N 1 2 341.386 2.316 20 30 EEEDLO C[N@@H+](CCOc1ccc(F)cc1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766611867 577522079 /nfs/dbraw/zinc/52/20/79/577522079.db2.gz RVDFTSSPBAQSGF-UHFFFAOYSA-N 1 2 341.386 2.316 20 30 EEEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O ZINC000766665566 577523053 /nfs/dbraw/zinc/52/30/53/577523053.db2.gz JGLWLBNPGDBJBL-AUUYWEPGSA-N 1 2 325.412 2.071 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O ZINC000766665566 577523054 /nfs/dbraw/zinc/52/30/54/577523054.db2.gz JGLWLBNPGDBJBL-AUUYWEPGSA-N 1 2 325.412 2.071 20 30 EEEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O ZINC000766665568 577523061 /nfs/dbraw/zinc/52/30/61/577523061.db2.gz JGLWLBNPGDBJBL-KUHUBIRLSA-N 1 2 325.412 2.071 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O ZINC000766665568 577523062 /nfs/dbraw/zinc/52/30/62/577523062.db2.gz JGLWLBNPGDBJBL-KUHUBIRLSA-N 1 2 325.412 2.071 20 30 EEEDLO CC(C)[N@H+]1CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[nH]2)[C@@H](C)C1 ZINC000769809543 577584942 /nfs/dbraw/zinc/58/49/42/577584942.db2.gz CQLBKTBSTFXQKJ-NSHDSACASA-N 1 2 345.451 2.415 20 30 EEEDLO CC(C)[N@@H+]1CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[nH]2)[C@@H](C)C1 ZINC000769809543 577584943 /nfs/dbraw/zinc/58/49/43/577584943.db2.gz CQLBKTBSTFXQKJ-NSHDSACASA-N 1 2 345.451 2.415 20 30 EEEDLO C(=NNc1ccc(-n2cc[nH+]c2)nn1)c1cnc([C@@H]2CCCO2)s1 ZINC000761837818 577689877 /nfs/dbraw/zinc/68/98/77/577689877.db2.gz SPOBXBHUDZMUKF-LBPRGKRZSA-N 1 2 341.400 2.416 20 30 EEEDLO CCCN1c2ccccc2C(=NNc2ccc(-n3cc[nH+]c3)nn2)C1=O ZINC000761860984 577690242 /nfs/dbraw/zinc/69/02/42/577690242.db2.gz QMYGEIBFRCYLCA-UHFFFAOYSA-N 1 2 347.382 2.235 20 30 EEEDLO C[C@@H]1CCC(=NNC(=S)NCC[NH+]2CCOCC2)c2ccccc21 ZINC000752717985 577774979 /nfs/dbraw/zinc/77/49/79/577774979.db2.gz HLUJXDULLBDDOD-CQSZACIVSA-N 1 2 346.500 2.084 20 30 EEEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1ccc(Cl)nc1 ZINC000755753681 577830511 /nfs/dbraw/zinc/83/05/11/577830511.db2.gz MQDPEEQQJBJHDS-UHFFFAOYSA-N 1 2 334.811 2.060 20 30 EEEDLO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000757986859 577867756 /nfs/dbraw/zinc/86/77/56/577867756.db2.gz RFJBJQNQSBHQBN-HNNXBMFYSA-N 1 2 344.434 2.220 20 30 EEEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000743855263 577890630 /nfs/dbraw/zinc/89/06/30/577890630.db2.gz IQUXPYUZPSCHKO-LSDHHAIUSA-N 1 2 333.863 2.157 20 30 EEEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000743855263 577890631 /nfs/dbraw/zinc/89/06/31/577890631.db2.gz IQUXPYUZPSCHKO-LSDHHAIUSA-N 1 2 333.863 2.157 20 30 EEEDLO COc1ncnc(N)c1C=[NH+]Nc1ccc(F)cc1Br ZINC000747629147 577947182 /nfs/dbraw/zinc/94/71/82/577947182.db2.gz DZIXTZMPPCEBSD-UHFFFAOYSA-N 1 2 340.156 2.415 20 30 EEEDLO N#Cc1ccccc1N1CC[NH+](CN2C(=O)[C@@H]3CCCCC[C@@H]32)CC1 ZINC000749949127 577984387 /nfs/dbraw/zinc/98/43/87/577984387.db2.gz VMVJTOBWCHGYMF-MJGOQNOKSA-N 1 2 338.455 2.429 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(Cl)cc(Cl)c2)CC1 ZINC000749990101 577985316 /nfs/dbraw/zinc/98/53/16/577985316.db2.gz MANXZEQBZNWQSK-UHFFFAOYSA-N 1 2 326.227 2.183 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc(SC)cc2)CC1 ZINC000735939619 578173279 /nfs/dbraw/zinc/17/32/79/578173279.db2.gz IPCXCUNHTDBZNN-UHFFFAOYSA-N 1 2 331.437 2.480 20 30 EEEDLO C(=[NH+]Nc1cccnn1)c1cc2ccccc2nc1N1CCOCC1 ZINC000735977060 578176350 /nfs/dbraw/zinc/17/63/50/578176350.db2.gz SDYJVYOSCVBREX-UHFFFAOYSA-N 1 2 334.383 2.307 20 30 EEEDLO N#CC[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)C1CCCC1 ZINC000822810048 606901638 /nfs/dbraw/zinc/90/16/38/606901638.db2.gz AOFYGXOPVKQSGZ-UHFFFAOYSA-N 1 2 326.404 2.404 20 30 EEEDLO N#CC[N@@H+](CCCOc1cccc(-c2nn[nH]n2)c1)C1CCCC1 ZINC000822810048 606901639 /nfs/dbraw/zinc/90/16/39/606901639.db2.gz AOFYGXOPVKQSGZ-UHFFFAOYSA-N 1 2 326.404 2.404 20 30 EEEDLO C[C@@H](NC(=O)c1cncc(F)c1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969486086 675070065 /nfs/dbraw/zinc/07/00/65/675070065.db2.gz CYPAQBDEEBFOJZ-CYBMUJFWSA-N 1 2 338.386 2.343 20 30 EEEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](Cc2ccc(F)cc2F)C1 ZINC000969514815 675081736 /nfs/dbraw/zinc/08/17/36/675081736.db2.gz SVGIFEGLDHBOGP-NSHDSACASA-N 1 2 344.365 2.415 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnn(-c3cccnc3)c2)C1 ZINC000969822417 675233758 /nfs/dbraw/zinc/23/37/58/675233758.db2.gz XGMXDPUNNBDOMS-CYBMUJFWSA-N 1 2 345.834 2.070 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)c1ccn[nH]1 ZINC001006804061 675359953 /nfs/dbraw/zinc/35/99/53/675359953.db2.gz HNTMWUGFGJIMPN-MRXNPFEDSA-N 1 2 342.830 2.309 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)c1ccn[nH]1 ZINC001006804061 675359955 /nfs/dbraw/zinc/35/99/55/675359955.db2.gz HNTMWUGFGJIMPN-MRXNPFEDSA-N 1 2 342.830 2.309 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H](C)C2C[NH+]([C@@H](C)c3ncc(C)o3)C2)c1 ZINC000970397944 675851347 /nfs/dbraw/zinc/85/13/47/675851347.db2.gz IJLMRMSDDYXYJJ-KGLIPLIRSA-N 1 2 338.411 2.171 20 30 EEEDLO N#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001021641721 676297356 /nfs/dbraw/zinc/29/73/56/676297356.db2.gz KJEWITZALWDGFT-IEBWSBKVSA-N 1 2 349.438 2.322 20 30 EEEDLO N#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001021641719 676297459 /nfs/dbraw/zinc/29/74/59/676297459.db2.gz KJEWITZALWDGFT-HKUYNNGSSA-N 1 2 349.438 2.322 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3coc(C(F)F)c3)CC2)C1 ZINC000949454036 676332746 /nfs/dbraw/zinc/33/27/46/676332746.db2.gz AJBSGPJKPOPUIR-UHFFFAOYSA-N 1 2 338.354 2.157 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3coc(C(F)F)c3)CC2)C1 ZINC000949454036 676332747 /nfs/dbraw/zinc/33/27/47/676332747.db2.gz AJBSGPJKPOPUIR-UHFFFAOYSA-N 1 2 338.354 2.157 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2c[nH]c(C)cc2=O)C1 ZINC001021707495 676366440 /nfs/dbraw/zinc/36/64/40/676366440.db2.gz UYOLORSUDHZVBD-ZBFHGGJFSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2c[nH]c(C)cc2=O)C1 ZINC001021707495 676366442 /nfs/dbraw/zinc/36/64/42/676366442.db2.gz UYOLORSUDHZVBD-ZBFHGGJFSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2ccnc2C)C1 ZINC001021737511 676395428 /nfs/dbraw/zinc/39/54/28/676395428.db2.gz VADIEHYUWSJRJP-HOTGVXAUSA-N 1 2 336.867 2.257 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2ccnc2C)C1 ZINC001021737511 676395429 /nfs/dbraw/zinc/39/54/29/676395429.db2.gz VADIEHYUWSJRJP-HOTGVXAUSA-N 1 2 336.867 2.257 20 30 EEEDLO C[N@H+](Cc1ncc(C2CC2)o1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971367200 676504734 /nfs/dbraw/zinc/50/47/34/676504734.db2.gz RAMZZIAWZPALDI-CQSZACIVSA-N 1 2 339.399 2.098 20 30 EEEDLO C[N@@H+](Cc1ncc(C2CC2)o1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971367200 676504735 /nfs/dbraw/zinc/50/47/35/676504735.db2.gz RAMZZIAWZPALDI-CQSZACIVSA-N 1 2 339.399 2.098 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c4ccc(F)cc43)C2)C1 ZINC000972702234 679682796 /nfs/dbraw/zinc/68/27/96/679682796.db2.gz IHNVZHQVOSXXSF-IBGZPJMESA-N 1 2 343.402 2.410 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c4ccc(F)cc43)C2)C1 ZINC000972702234 679682798 /nfs/dbraw/zinc/68/27/98/679682798.db2.gz IHNVZHQVOSXXSF-IBGZPJMESA-N 1 2 343.402 2.410 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(F)cn2)C1 ZINC000971385125 676514267 /nfs/dbraw/zinc/51/42/67/676514267.db2.gz GVCMSGJGYVWKBS-GFCCVEGCSA-N 1 2 342.212 2.276 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(F)cn2)C1 ZINC000971385125 676514270 /nfs/dbraw/zinc/51/42/70/676514270.db2.gz GVCMSGJGYVWKBS-GFCCVEGCSA-N 1 2 342.212 2.276 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000891608051 676714470 /nfs/dbraw/zinc/71/44/70/676714470.db2.gz WMMQJCTXPDJOGY-AWEZNQCLSA-N 1 2 347.846 2.109 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000891608051 676714472 /nfs/dbraw/zinc/71/44/72/676714472.db2.gz WMMQJCTXPDJOGY-AWEZNQCLSA-N 1 2 347.846 2.109 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000891606498 676716170 /nfs/dbraw/zinc/71/61/70/676716170.db2.gz OADWZXUTOXUVIU-QGZVFWFLSA-N 1 2 341.455 2.136 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000891606498 676716171 /nfs/dbraw/zinc/71/61/71/676716171.db2.gz OADWZXUTOXUVIU-QGZVFWFLSA-N 1 2 341.455 2.136 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3noc(C(C)(C)C)n3)C2)C1 ZINC001022675065 678196219 /nfs/dbraw/zinc/19/62/19/678196219.db2.gz OGRAXQIHWHKECL-BETUJISGSA-N 1 2 332.448 2.460 20 30 EEEDLO C#Cc1cccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000065585202 678536861 /nfs/dbraw/zinc/53/68/61/678536861.db2.gz KOOMPGTXKXTGQL-UHFFFAOYSA-N 1 2 344.374 2.109 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC(C)=C(C)C3)C2)C1 ZINC000972391917 678671209 /nfs/dbraw/zinc/67/12/09/678671209.db2.gz QFIFSGNRORKKOE-AZUAARDMSA-N 1 2 330.472 2.450 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC(C)=C(C)C3)C2)C1 ZINC000972391917 678671212 /nfs/dbraw/zinc/67/12/12/678671212.db2.gz QFIFSGNRORKKOE-AZUAARDMSA-N 1 2 330.472 2.450 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(F)cc(C)cc3F)C2)C1 ZINC000972459689 678790463 /nfs/dbraw/zinc/79/04/63/678790463.db2.gz ZRYNPGLAKXZCMG-SFHVURJKSA-N 1 2 336.382 2.376 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(F)cc(C)cc3F)C2)C1 ZINC000972459689 678790469 /nfs/dbraw/zinc/79/04/69/678790469.db2.gz ZRYNPGLAKXZCMG-SFHVURJKSA-N 1 2 336.382 2.376 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cccc(C4CC4)c3)C2)C1 ZINC000972481034 678850061 /nfs/dbraw/zinc/85/00/61/678850061.db2.gz XCSVXWRKTMWMLT-NRFANRHFSA-N 1 2 338.451 2.043 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cccc(C4CC4)c3)C2)C1 ZINC000972481034 678850066 /nfs/dbraw/zinc/85/00/66/678850066.db2.gz XCSVXWRKTMWMLT-NRFANRHFSA-N 1 2 338.451 2.043 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cccc(Cl)c3)C2)C1 ZINC000972535377 679203597 /nfs/dbraw/zinc/20/35/97/679203597.db2.gz UQMUHFGRYMYZJS-IBGZPJMESA-N 1 2 346.858 2.209 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cccc(Cl)c3)C2)C1 ZINC000972535377 679203598 /nfs/dbraw/zinc/20/35/98/679203598.db2.gz UQMUHFGRYMYZJS-IBGZPJMESA-N 1 2 346.858 2.209 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccsc3)C2)C1 ZINC000972550458 679255010 /nfs/dbraw/zinc/25/50/10/679255010.db2.gz XHJHJNSCGAUAEX-QAPCUYQASA-N 1 2 332.469 2.178 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccsc3)C2)C1 ZINC000972550458 679255012 /nfs/dbraw/zinc/25/50/12/679255012.db2.gz XHJHJNSCGAUAEX-QAPCUYQASA-N 1 2 332.469 2.178 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000972572434 679330539 /nfs/dbraw/zinc/33/05/39/679330539.db2.gz JRWYTUOCFHCRTK-FQEVSTJZSA-N 1 2 337.423 2.108 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000972572434 679330541 /nfs/dbraw/zinc/33/05/41/679330541.db2.gz JRWYTUOCFHCRTK-FQEVSTJZSA-N 1 2 337.423 2.108 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)Cc3ccccc3)C2)C1 ZINC000972576810 679337711 /nfs/dbraw/zinc/33/77/11/679337711.db2.gz GNKFGQYSNAJACR-CTNGQTDRSA-N 1 2 340.467 2.192 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)Cc3ccccc3)C2)C1 ZINC000972576810 679337712 /nfs/dbraw/zinc/33/77/12/679337712.db2.gz GNKFGQYSNAJACR-CTNGQTDRSA-N 1 2 340.467 2.192 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ncnn3CC)C2)CC1 ZINC001023572973 679386335 /nfs/dbraw/zinc/38/63/35/679386335.db2.gz QJSKBAJJIGHVSR-INIZCTEOSA-N 1 2 345.491 2.373 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+](Cc3ncnn3CC)C2)CC1 ZINC001023572973 679386336 /nfs/dbraw/zinc/38/63/36/679386336.db2.gz QJSKBAJJIGHVSR-INIZCTEOSA-N 1 2 345.491 2.373 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccccc3F)C2)C1 ZINC000972601692 679408423 /nfs/dbraw/zinc/40/84/23/679408423.db2.gz JBJTUAVQPFPYMW-KXBFYZLASA-N 1 2 332.419 2.419 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccccc3F)C2)C1 ZINC000972601692 679408425 /nfs/dbraw/zinc/40/84/25/679408425.db2.gz JBJTUAVQPFPYMW-KXBFYZLASA-N 1 2 332.419 2.419 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(Cl)cc3)C2)C1 ZINC000972646528 679501370 /nfs/dbraw/zinc/50/13/70/679501370.db2.gz HWQICNIIBMVNRH-SFHVURJKSA-N 1 2 332.831 2.280 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(Cl)cc3)C2)C1 ZINC000972646528 679501371 /nfs/dbraw/zinc/50/13/71/679501371.db2.gz HWQICNIIBMVNRH-SFHVURJKSA-N 1 2 332.831 2.280 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)ccc3C)C2)C1 ZINC000972654919 679517941 /nfs/dbraw/zinc/51/79/41/679517941.db2.gz XLGCYXNSQSRUCZ-HXUWFJFHSA-N 1 2 326.440 2.244 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)ccc3C)C2)C1 ZINC000972654919 679517942 /nfs/dbraw/zinc/51/79/42/679517942.db2.gz XLGCYXNSQSRUCZ-HXUWFJFHSA-N 1 2 326.440 2.244 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3Cc4ccc(Cl)cc43)C2)C1 ZINC000972660034 679525542 /nfs/dbraw/zinc/52/55/42/679525542.db2.gz RVIOXCAXWBYKHG-IEBWSBKVSA-N 1 2 346.858 2.469 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3Cc4ccc(Cl)cc43)C2)C1 ZINC000972660034 679525544 /nfs/dbraw/zinc/52/55/44/679525544.db2.gz RVIOXCAXWBYKHG-IEBWSBKVSA-N 1 2 346.858 2.469 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Oc3ccc(F)cc3)C2)C1 ZINC000972668530 679556261 /nfs/dbraw/zinc/55/62/61/679556261.db2.gz ZJILTCOZGFYSQG-HNAYVOBHSA-N 1 2 348.418 2.082 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Oc3ccc(F)cc3)C2)C1 ZINC000972668530 679556263 /nfs/dbraw/zinc/55/62/63/679556263.db2.gz ZJILTCOZGFYSQG-HNAYVOBHSA-N 1 2 348.418 2.082 20 30 EEEDLO CCc1cnc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C[C@H]2C)o1 ZINC000947205771 679862145 /nfs/dbraw/zinc/86/21/45/679862145.db2.gz WMKQIJRSKFTTOK-TZMCWYRMSA-N 1 2 341.415 2.220 20 30 EEEDLO CCc1cnc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C[C@H]2C)o1 ZINC000947205771 679862147 /nfs/dbraw/zinc/86/21/47/679862147.db2.gz WMKQIJRSKFTTOK-TZMCWYRMSA-N 1 2 341.415 2.220 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnc2[nH]cnc2c1 ZINC001024462068 679922723 /nfs/dbraw/zinc/92/27/23/679922723.db2.gz MPXBPMOBAFPDBA-ZDUSSCGKSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cnc2[nH]cnc2c1 ZINC001024462068 679922725 /nfs/dbraw/zinc/92/27/25/679922725.db2.gz MPXBPMOBAFPDBA-ZDUSSCGKSA-N 1 2 333.823 2.295 20 30 EEEDLO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1scnc1C(F)(F)F ZINC001024483999 679960547 /nfs/dbraw/zinc/96/05/47/679960547.db2.gz HWPLQUHFUKVUBZ-JTQLQIEISA-N 1 2 331.363 2.379 20 30 EEEDLO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1scnc1C(F)(F)F ZINC001024483999 679960551 /nfs/dbraw/zinc/96/05/51/679960551.db2.gz HWPLQUHFUKVUBZ-JTQLQIEISA-N 1 2 331.363 2.379 20 30 EEEDLO Cc1n[nH]cc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024586772 681239129 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C#CCOc1ccccc1CNc1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000892540282 681667824 /nfs/dbraw/zinc/66/78/24/681667824.db2.gz HTZWFLRUBXZNBC-HNNXBMFYSA-N 1 2 326.400 2.284 20 30 EEEDLO C#CCOc1ccccc1CNc1cc(N[C@H](CC)CO)nc[nH+]1 ZINC000892540283 681667850 /nfs/dbraw/zinc/66/78/50/681667850.db2.gz HTZWFLRUBXZNBC-OAHLLOKOSA-N 1 2 326.400 2.284 20 30 EEEDLO C#CCOc1ccccc1CNc1cc(N[C@H](CC)CO)[nH+]cn1 ZINC000892540283 681667852 /nfs/dbraw/zinc/66/78/52/681667852.db2.gz HTZWFLRUBXZNBC-OAHLLOKOSA-N 1 2 326.400 2.284 20 30 EEEDLO CCCOc1cccc(CNC(=O)CO[NH+]=C(N)c2ccccc2)c1 ZINC000178151017 681718328 /nfs/dbraw/zinc/71/83/28/681718328.db2.gz GPEHKTKMIDTJNH-UHFFFAOYSA-N 1 2 341.411 2.429 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1nncs1 ZINC001025229561 682261685 /nfs/dbraw/zinc/26/16/85/682261685.db2.gz MDTLUJVXSFYSON-HZPDHXFCSA-N 1 2 344.484 2.297 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@@H]1[C@H]1CCC[N@H+]1Cc1nncs1 ZINC001025229561 682261688 /nfs/dbraw/zinc/26/16/88/682261688.db2.gz 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Cc1ncc(C(=O)N(C)C2CC[NH+](Cc3ccccc3C#N)CC2)[nH]1 ZINC001005187307 1194678380 /nfs/dbraw/zinc/67/83/80/1194678380.db2.gz NAOYFSKWXURPQK-UHFFFAOYSA-N 1 2 337.427 2.326 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033807858 1195292033 /nfs/dbraw/zinc/29/20/33/1195292033.db2.gz ZQLIMOMGYWCTMD-QGZVFWFLSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033807858 1195292036 /nfs/dbraw/zinc/29/20/36/1195292036.db2.gz ZQLIMOMGYWCTMD-QGZVFWFLSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001033805794 1195312030 /nfs/dbraw/zinc/31/20/30/1195312030.db2.gz JBASRODGGKDFLH-HNNXBMFYSA-N 1 2 343.456 2.388 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001033805794 1195312035 /nfs/dbraw/zinc/31/20/35/1195312035.db2.gz JBASRODGGKDFLH-HNNXBMFYSA-N 1 2 343.456 2.388 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC2(F)F)C1 ZINC001033829113 1195367134 /nfs/dbraw/zinc/36/71/34/1195367134.db2.gz HSVWVGLNYALRQK-MNOVXSKESA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC2(F)F)C1 ZINC001033829113 1195367136 /nfs/dbraw/zinc/36/71/36/1195367136.db2.gz HSVWVGLNYALRQK-MNOVXSKESA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCn3nccc32)C1 ZINC001033881327 1195437809 /nfs/dbraw/zinc/43/78/09/1195437809.db2.gz PRFGCGXRAVTFGD-HUUCEWRRSA-N 1 2 336.867 2.436 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCn3nccc32)C1 ZINC001033881327 1195437810 /nfs/dbraw/zinc/43/78/10/1195437810.db2.gz PRFGCGXRAVTFGD-HUUCEWRRSA-N 1 2 336.867 2.436 20 30 EEEDLO C#Cc1ccc(C(=O)N(CC)[C@H]2CC[N@H+](Cc3ncc(C)o3)C2)cn1 ZINC001034028292 1195656049 /nfs/dbraw/zinc/65/60/49/1195656049.db2.gz YOXACYNSEYJCHW-KRWDZBQOSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3ncc(C)o3)C2)cn1 ZINC001034028292 1195656052 /nfs/dbraw/zinc/65/60/52/1195656052.db2.gz 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C#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](Cc3nonc3C)C2)cc1 ZINC001034340241 1196113377 /nfs/dbraw/zinc/11/33/77/1196113377.db2.gz MZANVJKXKDFXLC-KRWDZBQOSA-N 1 2 338.411 2.144 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001409982409 1196139939 /nfs/dbraw/zinc/13/99/39/1196139939.db2.gz ULQJUWAMJKODFC-SNVBAGLBSA-N 1 2 345.274 2.342 20 30 EEEDLO C[C@H](CNc1cccc(F)c1C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001108137478 1196504203 /nfs/dbraw/zinc/50/42/03/1196504203.db2.gz VIWOUZIZBNKBOJ-CHWSQXEVSA-N 1 2 329.379 2.462 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@]1(C)C[N@H+](CCOCC(F)F)CCO1 ZINC001108149249 1196637788 /nfs/dbraw/zinc/63/77/88/1196637788.db2.gz SIYPVAOPLZFQFJ-RHSMWYFYSA-N 1 2 348.434 2.078 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@]1(C)C[N@@H+](CCOCC(F)F)CCO1 ZINC001108149249 1196637789 /nfs/dbraw/zinc/63/77/89/1196637789.db2.gz SIYPVAOPLZFQFJ-RHSMWYFYSA-N 1 2 348.434 2.078 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnc(CC)o2)cc1 ZINC001035006872 1196978533 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CCCNc1cc(N2CCN(c3snc(C)c3C#N)CC2)[nH+]cn1 ZINC000865817774 1198390029 /nfs/dbraw/zinc/39/00/29/1198390029.db2.gz HMDLRJAZLOEZBC-UHFFFAOYSA-N 1 2 343.460 2.262 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1cc(C2CC2)no1 ZINC001132033777 1199218350 /nfs/dbraw/zinc/21/83/50/1199218350.db2.gz KXKRJBCTSKLURN-XJKSGUPXSA-N 1 2 327.428 2.435 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1cc(C2CC2)no1 ZINC001132033777 1199218352 /nfs/dbraw/zinc/21/83/52/1199218352.db2.gz KXKRJBCTSKLURN-XJKSGUPXSA-N 1 2 327.428 2.435 20 30 EEEDLO C=CCOc1cccnc1C(=O)NCCC[NH2+]CC(F)(F)C(F)F ZINC001170734411 1199350019 /nfs/dbraw/zinc/35/00/19/1199350019.db2.gz JLPGEKVBLAYMMM-UHFFFAOYSA-N 1 2 349.328 2.256 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccc(OC)nn2)C1 ZINC001132235168 1199453693 /nfs/dbraw/zinc/45/36/93/1199453693.db2.gz JBHXMRNFAMNDPA-HOTGVXAUSA-N 1 2 344.459 2.148 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001132235168 1199453698 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ZINC001008839777 1223053819 /nfs/dbraw/zinc/05/38/19/1223053819.db2.gz KTJZTXDIFSRNPE-BZSNNMDCSA-N 1 2 347.434 2.283 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001008839777 1223053823 /nfs/dbraw/zinc/05/38/23/1223053823.db2.gz KTJZTXDIFSRNPE-BZSNNMDCSA-N 1 2 347.434 2.283 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2NC(=O)c3ccccc32)C1 ZINC001008948901 1223091416 /nfs/dbraw/zinc/09/14/16/1223091416.db2.gz GDVZLRBTBWJPAP-XJKSGUPXSA-N 1 2 347.846 2.194 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2NC(=O)c3ccccc32)C1 ZINC001008948901 1223091418 /nfs/dbraw/zinc/09/14/18/1223091418.db2.gz GDVZLRBTBWJPAP-XJKSGUPXSA-N 1 2 347.846 2.194 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)cn1 ZINC001009267715 1223193652 /nfs/dbraw/zinc/19/36/52/1223193652.db2.gz FDAORBWDBGWVSK-NRFANRHFSA-N 1 2 343.430 2.309 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)cn1 ZINC001009267715 1223193655 /nfs/dbraw/zinc/19/36/55/1223193655.db2.gz FDAORBWDBGWVSK-NRFANRHFSA-N 1 2 343.430 2.309 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001010327507 1223663843 /nfs/dbraw/zinc/66/38/43/1223663843.db2.gz MDQXATAYTXAQSQ-HUUCEWRRSA-N 1 2 344.459 2.052 20 30 EEEDLO CCc1ocnc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010406101 1223705969 /nfs/dbraw/zinc/70/59/69/1223705969.db2.gz YTIMJECSVCRPSC-MRXNPFEDSA-N 1 2 341.386 2.232 20 30 EEEDLO CCc1ocnc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010406101 1223705971 /nfs/dbraw/zinc/70/59/71/1223705971.db2.gz YTIMJECSVCRPSC-MRXNPFEDSA-N 1 2 341.386 2.232 20 30 EEEDLO Cc1c[nH]cc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001016242139 1226244080 /nfs/dbraw/zinc/24/40/80/1226244080.db2.gz DPQNQAZQMKZCCM-HNNXBMFYSA-N 1 2 326.375 2.338 20 30 EEEDLO Cc1c[nH]cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001016242139 1226244084 /nfs/dbraw/zinc/24/40/84/1226244084.db2.gz DPQNQAZQMKZCCM-HNNXBMFYSA-N 1 2 326.375 2.338 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)OCCc3ccccc32)C1 ZINC001016383440 1226419813 /nfs/dbraw/zinc/41/98/13/1226419813.db2.gz HTYFZVZSOYWIDV-YJBOKZPZSA-N 1 2 334.847 2.418 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)OCCc3ccccc32)C1 ZINC001016383440 1226419819 /nfs/dbraw/zinc/41/98/19/1226419819.db2.gz HTYFZVZSOYWIDV-YJBOKZPZSA-N 1 2 334.847 2.418 20 30 EEEDLO CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016434791 1226476865 /nfs/dbraw/zinc/47/68/65/1226476865.db2.gz XXSSURBBRHVPHL-GOSISDBHSA-N 1 2 349.434 2.336 20 30 EEEDLO CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016434791 1226476869 /nfs/dbraw/zinc/47/68/69/1226476869.db2.gz XXSSURBBRHVPHL-GOSISDBHSA-N 1 2 349.434 2.336 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC23CC[NH+](Cc2cnn(C)n2)CC3)CC1 ZINC001016807445 1226893164 /nfs/dbraw/zinc/89/31/64/1226893164.db2.gz IARCALWKHPDALA-QGZVFWFLSA-N 1 2 343.475 2.032 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H](C[N@@H+](C)Cc3ncnn3CC)C2)C1 ZINC001017202813 1227223835 /nfs/dbraw/zinc/22/38/35/1227223835.db2.gz AHWOPMBBVVTEKY-MRXNPFEDSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H](C[N@H+](C)Cc3ncnn3CC)C2)C1 ZINC001017202813 1227223837 /nfs/dbraw/zinc/22/38/37/1227223837.db2.gz AHWOPMBBVVTEKY-MRXNPFEDSA-N 1 2 345.491 2.325 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2n1[C@H](C)CCC2 ZINC001017573895 1227536300 /nfs/dbraw/zinc/53/63/00/1227536300.db2.gz WUXUPVPJERMBAD-OAGGEKHMSA-N 1 2 326.444 2.093 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2n1[C@H](C)CCC2 ZINC001017573895 1227536306 /nfs/dbraw/zinc/53/63/06/1227536306.db2.gz WUXUPVPJERMBAD-OAGGEKHMSA-N 1 2 326.444 2.093 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccnn2C2CCC2)c1 ZINC001038247656 1229702409 /nfs/dbraw/zinc/70/24/09/1229702409.db2.gz JMNJTMNCKMAZSU-SFHVURJKSA-N 1 2 349.438 2.484 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccnn2C2CCC2)c1 ZINC001038247656 1229702414 /nfs/dbraw/zinc/70/24/14/1229702414.db2.gz JMNJTMNCKMAZSU-SFHVURJKSA-N 1 2 349.438 2.484 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc3c[nH]ccc-3n2)cc1 ZINC001038417081 1229801744 /nfs/dbraw/zinc/80/17/44/1229801744.db2.gz QIYOEEPDKAEJKL-QGZVFWFLSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc3c[nH]ccc-3n2)cc1 ZINC001038417081 1229801745 /nfs/dbraw/zinc/80/17/45/1229801745.db2.gz QIYOEEPDKAEJKL-QGZVFWFLSA-N 1 2 345.406 2.439 20 30 EEEDLO CCc1nnc(C)cc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038422121 1229805501 /nfs/dbraw/zinc/80/55/01/1229805501.db2.gz OGKICYXOEXTHAP-KRWDZBQOSA-N 1 2 349.438 2.223 20 30 EEEDLO CCc1nnc(C)cc1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038422121 1229805505 /nfs/dbraw/zinc/80/55/05/1229805505.db2.gz OGKICYXOEXTHAP-KRWDZBQOSA-N 1 2 349.438 2.223 20 30 EEEDLO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c2ccccc2c1=O ZINC001038445282 1229828117 /nfs/dbraw/zinc/82/81/17/1229828117.db2.gz IMCZBRQHDTVHPJ-AWEZNQCLSA-N 1 2 325.412 2.298 20 30 EEEDLO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c2ccccc2c1=O ZINC001038445282 1229828121 /nfs/dbraw/zinc/82/81/21/1229828121.db2.gz IMCZBRQHDTVHPJ-AWEZNQCLSA-N 1 2 325.412 2.298 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnn(C(F)F)c2)c1 ZINC001038847418 1230107111 /nfs/dbraw/zinc/10/71/11/1230107111.db2.gz XIPBMMCKTSRZLY-HNNXBMFYSA-N 1 2 345.353 2.154 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnn(C(F)F)c2)c1 ZINC001038847418 1230107113 /nfs/dbraw/zinc/10/71/13/1230107113.db2.gz XIPBMMCKTSRZLY-HNNXBMFYSA-N 1 2 345.353 2.154 20 30 EEEDLO C#CCOc1ncccc1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccsc1 ZINC001038927712 1230171629 /nfs/dbraw/zinc/17/16/29/1230171629.db2.gz AGJPVJSJJNDNIE-OAHLLOKOSA-N 1 2 341.436 2.159 20 30 EEEDLO C#CCOc1ncccc1C(=O)NC[C@H]1CC[N@H+]1Cc1ccsc1 ZINC001038927712 1230171633 /nfs/dbraw/zinc/17/16/33/1230171633.db2.gz AGJPVJSJJNDNIE-OAHLLOKOSA-N 1 2 341.436 2.159 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)C2CCC(C)(C)CC2)C1=O ZINC001039059827 1230271680 /nfs/dbraw/zinc/27/16/80/1230271680.db2.gz GRWLREKGOLTFTH-SJORKVTESA-N 1 2 347.503 2.180 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)C2CCC(C)(C)CC2)C1=O ZINC001039059827 1230271682 /nfs/dbraw/zinc/27/16/82/1230271682.db2.gz GRWLREKGOLTFTH-SJORKVTESA-N 1 2 347.503 2.180 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039130922 1230339250 /nfs/dbraw/zinc/33/92/50/1230339250.db2.gz AMJKAEZFQHACGJ-ZIAGYGMSSA-N 1 2 334.357 2.471 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039130922 1230339256 /nfs/dbraw/zinc/33/92/56/1230339256.db2.gz AMJKAEZFQHACGJ-ZIAGYGMSSA-N 1 2 334.357 2.471 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC001039130922 1230339257 /nfs/dbraw/zinc/33/92/57/1230339257.db2.gz AMJKAEZFQHACGJ-ZIAGYGMSSA-N 1 2 334.357 2.471 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC001039130922 1230339262 /nfs/dbraw/zinc/33/92/62/1230339262.db2.gz AMJKAEZFQHACGJ-ZIAGYGMSSA-N 1 2 334.357 2.471 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2n[nH]cc2c1 ZINC001039392048 1230575329 /nfs/dbraw/zinc/57/53/29/1230575329.db2.gz ALAPTHUKBFVRRV-CABCVRRESA-N 1 2 345.834 2.389 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2n[nH]cc2c1 ZINC001039392048 1230575330 /nfs/dbraw/zinc/57/53/30/1230575330.db2.gz ALAPTHUKBFVRRV-CABCVRRESA-N 1 2 345.834 2.389 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2cccnn12 ZINC001039449409 1230616881 /nfs/dbraw/zinc/61/68/81/1230616881.db2.gz SNDVKBYBORYZNZ-KGLIPLIRSA-N 1 2 345.834 2.161 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2cccnn12 ZINC001039449409 1230616883 /nfs/dbraw/zinc/61/68/83/1230616883.db2.gz SNDVKBYBORYZNZ-KGLIPLIRSA-N 1 2 345.834 2.161 20 30 EEEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H](O)c1ccccc1F ZINC001039531305 1230679879 /nfs/dbraw/zinc/67/98/79/1230679879.db2.gz LZHBPCLRYCAOPB-AFIMGQEJSA-N 1 2 345.418 2.084 20 30 EEEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccccc1F ZINC001039531305 1230679881 /nfs/dbraw/zinc/67/98/81/1230679881.db2.gz LZHBPCLRYCAOPB-AFIMGQEJSA-N 1 2 345.418 2.084 20 30 EEEDLO Cc1nc(N(C)C[C@H]2CCCCN2C(=O)[C@@H](C)C#N)c(C)c(C)[nH+]1 ZINC001039950805 1230924874 /nfs/dbraw/zinc/92/48/74/1230924874.db2.gz KWFJVAHQAUCAGE-BLLLJJGKSA-N 1 2 329.448 2.379 20 30 EEEDLO Cc1nc(NC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)cc[nH+]1 ZINC001040409148 1231215421 /nfs/dbraw/zinc/21/54/21/1231215421.db2.gz JLBJWPIRGIXMTN-OCCSQVGLSA-N 1 2 338.415 2.195 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)c3c[nH]cc4ncnc3-4)C2)C1 ZINC001041301726 1231499047 /nfs/dbraw/zinc/49/90/47/1231499047.db2.gz QBFBIPUDRAPBOD-KRWDZBQOSA-N 1 2 345.834 2.248 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)c3c[nH]cc4ncnc3-4)C2)C1 ZINC001041301726 1231499050 /nfs/dbraw/zinc/49/90/50/1231499050.db2.gz QBFBIPUDRAPBOD-KRWDZBQOSA-N 1 2 345.834 2.248 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@@H+](Cc3nnc(C)n3CC)C2)C1 ZINC001041541900 1231587713 /nfs/dbraw/zinc/58/77/13/1231587713.db2.gz AAAYDURSWVBTFX-IBGZPJMESA-N 1 2 345.491 2.243 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@H+](Cc3nnc(C)n3CC)C2)C1 ZINC001041541900 1231587714 /nfs/dbraw/zinc/58/77/14/1231587714.db2.gz AAAYDURSWVBTFX-IBGZPJMESA-N 1 2 345.491 2.243 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccon4)[C@@H]3C2)cc1 ZINC001042177907 1231938357 /nfs/dbraw/zinc/93/83/57/1231938357.db2.gz ACSMHTDJFNGTEZ-VQIMIIECSA-N 1 2 335.407 2.393 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccon4)[C@@H]3C2)cc1 ZINC001042177907 1231938359 /nfs/dbraw/zinc/93/83/59/1231938359.db2.gz ACSMHTDJFNGTEZ-VQIMIIECSA-N 1 2 335.407 2.393 20 30 EEEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001042629322 1232125084 /nfs/dbraw/zinc/12/50/84/1232125084.db2.gz YKXHAEMLCZTOGK-GOSISDBHSA-N 1 2 338.386 2.469 20 30 EEEDLO C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1Nc1ccc(C#N)nc1 ZINC001043395705 1232418239 /nfs/dbraw/zinc/41/82/39/1232418239.db2.gz JZGDOUYXYQBSLR-CZUORRHYSA-N 1 2 346.394 2.174 20 30 EEEDLO C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ncccc2C#N)C1)n1cc[nH+]c1 ZINC001043542662 1232478586 /nfs/dbraw/zinc/47/85/86/1232478586.db2.gz FYASJENXNPWVIC-IJEWVQPXSA-N 1 2 338.415 2.060 20 30 EEEDLO CCN(CCCNC(=O)C[C@@H](C)n1cc[nH+]c1)c1ncccc1C#N ZINC001095973426 1232844799 /nfs/dbraw/zinc/84/47/99/1232844799.db2.gz XWGRJAQZUYEJQB-OAHLLOKOSA-N 1 2 340.431 2.134 20 30 EEEDLO C[C@@H](CC(=O)N1CCCC[C@@]2(CCN(CC#N)C2)C1)n1cc[nH+]c1 ZINC001045968553 1234249611 /nfs/dbraw/zinc/24/96/11/1234249611.db2.gz CJNHJEZXXVDHMV-WMZOPIPTSA-N 1 2 329.448 2.062 20 30 EEEDLO C[C@]1(NC(=O)[C@@H]2CCCCO2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046234009 1234581116 /nfs/dbraw/zinc/58/11/16/1234581116.db2.gz XPEWULGYJYAGCO-HKUYNNGSSA-N 1 2 345.418 2.347 20 30 EEEDLO C[C@]1(NC(=O)[C@@H]2CCCCO2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046234009 1234581119 /nfs/dbraw/zinc/58/11/19/1234581119.db2.gz XPEWULGYJYAGCO-HKUYNNGSSA-N 1 2 345.418 2.347 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001046533579 1234915165 /nfs/dbraw/zinc/91/51/65/1234915165.db2.gz QWWXSOZKSJUULG-QGZVFWFLSA-N 1 2 347.850 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001046533579 1234915167 /nfs/dbraw/zinc/91/51/67/1234915167.db2.gz QWWXSOZKSJUULG-QGZVFWFLSA-N 1 2 347.850 2.293 20 30 EEEDLO Cc1nocc1C(=O)N[C@]1(C)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046584188 1234964734 /nfs/dbraw/zinc/96/47/34/1234964734.db2.gz YNPXYDHAYMCSDI-LJQANCHMSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1nocc1C(=O)N[C@]1(C)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046584188 1234964738 /nfs/dbraw/zinc/96/47/38/1234964738.db2.gz YNPXYDHAYMCSDI-LJQANCHMSA-N 1 2 341.386 2.368 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)c2ccn(C)c2C)C1 ZINC001046603144 1234985413 /nfs/dbraw/zinc/98/54/13/1234985413.db2.gz VDYOFINJRMOQPM-HNNXBMFYSA-N 1 2 340.265 2.436 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)c2ccn(C)c2C)C1 ZINC001046603144 1234985418 /nfs/dbraw/zinc/98/54/18/1234985418.db2.gz VDYOFINJRMOQPM-HNNXBMFYSA-N 1 2 340.265 2.436 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2nnn(C(C)C)c2C)C1 ZINC001046740673 1235135304 /nfs/dbraw/zinc/13/53/04/1235135304.db2.gz XFZMXEHGABWJQC-OAHLLOKOSA-N 1 2 325.844 2.114 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2nnn(C(C)C)c2C)C1 ZINC001046740673 1235135307 /nfs/dbraw/zinc/13/53/07/1235135307.db2.gz XFZMXEHGABWJQC-OAHLLOKOSA-N 1 2 325.844 2.114 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3csc(C)n3)C2)nc1 ZINC001046783964 1235182113 /nfs/dbraw/zinc/18/21/13/1235182113.db2.gz VRWQHMWHNHXPHQ-SFHVURJKSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](Cc3csc(C)n3)C2)nc1 ZINC001046783964 1235182115 /nfs/dbraw/zinc/18/21/15/1235182115.db2.gz VRWQHMWHNHXPHQ-SFHVURJKSA-N 1 2 340.452 2.222 20 30 EEEDLO C[C@H](CC(=O)N1CCC[C@@H](C2CCN(CC#N)CC2)C1)n1cc[nH+]c1 ZINC001047257703 1235762499 /nfs/dbraw/zinc/76/24/99/1235762499.db2.gz OWMLCJGGCARAPS-SJLPKXTDSA-N 1 2 343.475 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ZINC001051028270 1244874161 /nfs/dbraw/zinc/87/41/61/1244874161.db2.gz KXFZJFDMUVXUFW-MRXNPFEDSA-N 1 2 340.427 2.027 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001051033047 1244882766 /nfs/dbraw/zinc/88/27/66/1244882766.db2.gz DMVRABWAFNGBRL-WBVHZDCISA-N 1 2 344.455 2.407 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001051033047 1244882771 /nfs/dbraw/zinc/88/27/71/1244882771.db2.gz DMVRABWAFNGBRL-WBVHZDCISA-N 1 2 344.455 2.407 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(F)c2ccncc12 ZINC001051082081 1244951913 /nfs/dbraw/zinc/95/19/13/1244951913.db2.gz RUROYQBTFJQFPZ-CQSZACIVSA-N 1 2 343.402 2.381 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(F)c2ccncc12 ZINC001051082081 1244951919 /nfs/dbraw/zinc/95/19/19/1244951919.db2.gz RUROYQBTFJQFPZ-CQSZACIVSA-N 1 2 343.402 2.381 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C(C)(C)C)nn1C ZINC001051099499 1244979624 /nfs/dbraw/zinc/97/96/24/1244979624.db2.gz 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C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(Cl)c(OC)c1 ZINC001051150174 1245051214 /nfs/dbraw/zinc/05/12/14/1245051214.db2.gz NVNPNISDIXOASA-CQSZACIVSA-N 1 2 338.835 2.355 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001051167530 1245076121 /nfs/dbraw/zinc/07/61/21/1245076121.db2.gz VUOQYVUPJDHTRQ-WMLDXEAASA-N 1 2 330.428 2.017 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001051167530 1245076127 /nfs/dbraw/zinc/07/61/27/1245076127.db2.gz VUOQYVUPJDHTRQ-WMLDXEAASA-N 1 2 330.428 2.017 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnc(C(F)(F)F)c1 ZINC001051199737 1245378536 /nfs/dbraw/zinc/37/85/36/1245378536.db2.gz LJBITZBBRLVRMY-CYBMUJFWSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnc(C(F)(F)F)c1 ZINC001051199737 1245378541 /nfs/dbraw/zinc/37/85/41/1245378541.db2.gz LJBITZBBRLVRMY-CYBMUJFWSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CC[N@@H+]1CCc2c(CNC(=O)c3ccc4[nH]nnc4c3)cccc2C1 ZINC001051306742 1245511268 /nfs/dbraw/zinc/51/12/68/1245511268.db2.gz NWMGNXNSXSLCFA-UHFFFAOYSA-N 1 2 347.422 2.432 20 30 EEEDLO C=CC[N@H+]1CCc2c(CNC(=O)c3ccc4[nH]nnc4c3)cccc2C1 ZINC001051306742 1245511273 /nfs/dbraw/zinc/51/12/73/1245511273.db2.gz NWMGNXNSXSLCFA-UHFFFAOYSA-N 1 2 347.422 2.432 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001051315217 1245530076 /nfs/dbraw/zinc/53/00/76/1245530076.db2.gz YDECMBGOBLRWSQ-DZGCQCFKSA-N 1 2 346.475 2.216 20 30 EEEDLO C=CCCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001051332007 1245561790 /nfs/dbraw/zinc/56/17/90/1245561790.db2.gz JHPPPLKTAKASIR-HZPDHXFCSA-N 1 2 346.475 2.062 20 30 EEEDLO CCCN(CCNC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccc(C#N)cn1 ZINC001101246809 1245567151 /nfs/dbraw/zinc/56/71/51/1245567151.db2.gz GGPGXVWFMNLDQB-OAHLLOKOSA-N 1 2 340.431 2.134 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(CC)n3C)C[C@@]2(C)C1 ZINC001101253550 1245576718 /nfs/dbraw/zinc/57/67/18/1245576718.db2.gz PUXKYZHMJCVGIW-BEFAXECRSA-N 1 2 345.491 2.014 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(CC)n3C)C[C@@]2(C)C1 ZINC001101253550 1245576725 /nfs/dbraw/zinc/57/67/25/1245576725.db2.gz PUXKYZHMJCVGIW-BEFAXECRSA-N 1 2 345.491 2.014 20 30 EEEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C)s3)C[C@@]2(C)C1 ZINC001101347164 1245693834 /nfs/dbraw/zinc/69/38/34/1245693834.db2.gz ZPFZFJPYNZYCAE-PBHICJAKSA-N 1 2 334.489 2.483 20 30 EEEDLO C=CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C)s3)C[C@@]2(C)C1 ZINC001101347164 1245693840 /nfs/dbraw/zinc/69/38/40/1245693840.db2.gz ZPFZFJPYNZYCAE-PBHICJAKSA-N 1 2 334.489 2.483 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001053072655 1245824247 /nfs/dbraw/zinc/82/42/47/1245824247.db2.gz DXEZXAIISUPZCA-HZPDHXFCSA-N 1 2 346.475 2.086 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N(C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001101667617 1246103346 /nfs/dbraw/zinc/10/33/46/1246103346.db2.gz KXCLCXKVTIMJQB-ZDUSSCGKSA-N 1 2 332.448 2.125 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1c(F)ccc(F)c1F)CCO2 ZINC001053400865 1246287362 /nfs/dbraw/zinc/28/73/62/1246287362.db2.gz NPWIDWQNJSJEMG-UHFFFAOYSA-N 1 2 340.345 2.207 20 30 EEEDLO C=CCCCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001068049798 1250243675 /nfs/dbraw/zinc/24/36/75/1250243675.db2.gz GAAQDEAVCQSGPN-HNNXBMFYSA-N 1 2 346.475 2.493 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CO[C@H]1CCC[C@H](C)C1)CCO2 ZINC001053453522 1246347538 /nfs/dbraw/zinc/34/75/38/1246347538.db2.gz DQGYQQBGKYHKJV-IRXDYDNUSA-N 1 2 336.476 2.071 20 30 EEEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCC4(CC4)C3)C2)CC1 ZINC001052026137 1246389773 /nfs/dbraw/zinc/38/97/73/1246389773.db2.gz AOLFUPMQNABBNK-OALUTQOASA-N 1 2 343.515 2.199 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cn(CCCC)nc1C)CCO2 ZINC001053501530 1246403733 /nfs/dbraw/zinc/40/37/33/1246403733.db2.gz SDSZXYIFNULUPU-UHFFFAOYSA-N 1 2 346.475 2.095 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)C2)CC1 ZINC001052053746 1246425575 /nfs/dbraw/zinc/42/55/75/1246425575.db2.gz RBCVPXSVNVFLGT-OTWHNJEPSA-N 1 2 331.504 2.217 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)C(C)C)C2)CC1 ZINC001052094776 1246474585 /nfs/dbraw/zinc/47/45/85/1246474585.db2.gz YEMPFOBAZUOYPA-JKSUJKDBSA-N 1 2 327.900 2.250 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)C(C)C)C2)CC1 ZINC001052094774 1246474810 /nfs/dbraw/zinc/47/48/10/1246474810.db2.gz YEMPFOBAZUOYPA-HOTGVXAUSA-N 1 2 327.900 2.250 20 30 EEEDLO Cc1ccc(Cl)cc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052099136 1246478359 /nfs/dbraw/zinc/47/83/59/1246478359.db2.gz UZNOQLAFAOMYEK-MRXNPFEDSA-N 1 2 346.862 2.004 20 30 EEEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccoc3CCC)C2)CC1 ZINC001052106774 1246486016 /nfs/dbraw/zinc/48/60/16/1246486016.db2.gz UBGAQZBHACKTGN-KRWDZBQOSA-N 1 2 343.471 2.088 20 30 EEEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccoc3CCC)C2)CC1 ZINC001052106775 1246486465 /nfs/dbraw/zinc/48/64/65/1246486465.db2.gz UBGAQZBHACKTGN-QGZVFWFLSA-N 1 2 343.471 2.088 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccccc3Cl)C2)CC1 ZINC001052112483 1246493819 /nfs/dbraw/zinc/49/38/19/1246493819.db2.gz WMVSEZRBAULCOB-MRXNPFEDSA-N 1 2 345.874 2.195 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccc(C)o3)C2)CC1 ZINC001052119303 1246503051 /nfs/dbraw/zinc/50/30/51/1246503051.db2.gz OLKAEOZWSCPFAP-SFHVURJKSA-N 1 2 345.487 2.315 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1scnc1CC)O2 ZINC001053609093 1246527124 /nfs/dbraw/zinc/52/71/24/1246527124.db2.gz UGIKAXCFDYQYGZ-CYBMUJFWSA-N 1 2 335.473 2.245 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1conc1C(C)C)O2 ZINC001053611378 1246531596 /nfs/dbraw/zinc/53/15/96/1246531596.db2.gz QFNJSQLXJOSVBK-AWEZNQCLSA-N 1 2 333.432 2.337 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccsc1COC)O2 ZINC001053617712 1246541504 /nfs/dbraw/zinc/54/15/04/1246541504.db2.gz FKXXINCKYPQCMD-CYBMUJFWSA-N 1 2 336.457 2.044 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(OC)cc1F)O2 ZINC001053624047 1246549336 /nfs/dbraw/zinc/54/93/36/1246549336.db2.gz IBQHWSGNRSTXSC-HNNXBMFYSA-N 1 2 348.418 2.374 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(OC)cc1F)O2 ZINC001053624048 1246549353 /nfs/dbraw/zinc/54/93/53/1246549353.db2.gz IBQHWSGNRSTXSC-OAHLLOKOSA-N 1 2 348.418 2.374 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1Cc3ccc(F)cc31)O2 ZINC001053651776 1246592479 /nfs/dbraw/zinc/59/24/79/1246592479.db2.gz KXIDSTJOSQSNMQ-DOTOQJQBSA-N 1 2 330.403 2.001 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C3CC3)no1)O2 ZINC001053673461 1246624664 /nfs/dbraw/zinc/62/46/64/1246624664.db2.gz VCIGCFWBMBZNOJ-CQSZACIVSA-N 1 2 331.416 2.091 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nc(C3CC3)oc1C)O2 ZINC001053685456 1246645908 /nfs/dbraw/zinc/64/59/08/1246645908.db2.gz PZODMLDIXBRLSJ-CQSZACIVSA-N 1 2 331.416 2.010 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ncoc1C(C)C)O2 ZINC001053687898 1246652079 /nfs/dbraw/zinc/65/20/79/1246652079.db2.gz DFFMKZHMYFNZBM-AWEZNQCLSA-N 1 2 333.432 2.337 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(Cl)cn1CC)O2 ZINC001053698212 1246673153 /nfs/dbraw/zinc/67/31/53/1246673153.db2.gz GLLZCGRHYHMSTD-CQSZACIVSA-N 1 2 337.851 2.311 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc(C3CC3)c1)CO2 ZINC001053859155 1246921652 /nfs/dbraw/zinc/92/16/52/1246921652.db2.gz BTMVQXWYYMFHND-INIZCTEOSA-N 1 2 327.428 2.108 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1c[nH]c3ccccc13)CO2 ZINC001053864405 1246932650 /nfs/dbraw/zinc/93/26/50/1246932650.db2.gz ZAJXALCMXDIMKW-CQSZACIVSA-N 1 2 325.412 2.317 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C)c3cccnc13)CO2 ZINC001053873636 1246949333 /nfs/dbraw/zinc/94/93/33/1246949333.db2.gz DTMBLNCFXYNVNR-INIZCTEOSA-N 1 2 349.434 2.140 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)CO2 ZINC001053885421 1246966828 /nfs/dbraw/zinc/96/68/28/1246966828.db2.gz MEMVQANRIWXGRY-JTQLQIEISA-N 1 2 344.242 2.471 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 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1284320412 /nfs/dbraw/zinc/32/04/12/1284320412.db2.gz GIKOWRBILSXGGK-ZWKOTPCHSA-N 1 2 349.519 2.237 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114311982 1284582071 /nfs/dbraw/zinc/58/20/71/1284582071.db2.gz YAXCVBJVIACEPU-DGAVXFQQSA-N 1 2 341.308 2.005 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001114311982 1284582080 /nfs/dbraw/zinc/58/20/80/1284582080.db2.gz YAXCVBJVIACEPU-DGAVXFQQSA-N 1 2 341.308 2.005 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CCC(C3CC3)CC2)CC1 ZINC001197994622 1284935016 /nfs/dbraw/zinc/93/50/16/1284935016.db2.gz BBBZJBOEYRLSEL-UHFFFAOYSA-N 1 2 347.503 2.039 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)C2CCC(C3CC3)CC2)CC1 ZINC001197994622 1284935022 /nfs/dbraw/zinc/93/50/22/1284935022.db2.gz BBBZJBOEYRLSEL-UHFFFAOYSA-N 1 2 347.503 2.039 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC001198196427 1285032892 /nfs/dbraw/zinc/03/28/92/1285032892.db2.gz 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C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cn(CCC(C)C)nn2)C1 ZINC001046613898 1285618272 /nfs/dbraw/zinc/61/82/72/1285618272.db2.gz GZGBMTGWUCJAGN-INIZCTEOSA-N 1 2 339.871 2.271 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cn(CCC(C)C)nn2)C1 ZINC001046613898 1285618281 /nfs/dbraw/zinc/61/82/81/1285618281.db2.gz GZGBMTGWUCJAGN-INIZCTEOSA-N 1 2 339.871 2.271 20 30 EEEDLO CCC(C)(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110543444 1285874014 /nfs/dbraw/zinc/87/40/14/1285874014.db2.gz RWVHNXQTFXTAIO-OAGGEKHMSA-N 1 2 347.503 2.062 20 30 EEEDLO CCC(C)(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110543444 1285874022 /nfs/dbraw/zinc/87/40/22/1285874022.db2.gz RWVHNXQTFXTAIO-OAGGEKHMSA-N 1 2 347.503 2.062 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C(C)(C)C1 ZINC001069603579 1285923598 /nfs/dbraw/zinc/92/35/98/1285923598.db2.gz OSFAPPPTYVVKLU-CYBMUJFWSA-N 1 2 342.447 2.224 20 30 EEEDLO N#Cc1ccccc1OCCN1CC[C@]2(CC[N@@H+](CC(F)F)C2)C1=O 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C=CCCOCC(=O)NCCC1=CC[N@H+](Cc2ccn(CC)n2)CC1 ZINC001161977947 1320704886 /nfs/dbraw/zinc/70/48/86/1320704886.db2.gz HTUVZTMDRDCHNJ-UHFFFAOYSA-N 1 2 346.475 2.134 20 30 EEEDLO C=CCCOCC(=O)NCCC1=CC[N@@H+](Cc2ccn(CC)n2)CC1 ZINC001161977947 1320704890 /nfs/dbraw/zinc/70/48/90/1320704890.db2.gz HTUVZTMDRDCHNJ-UHFFFAOYSA-N 1 2 346.475 2.134 20 30 EEEDLO C#CCCCC(=O)N(CC[NH2+]Cc1cnon1)CCc1ccccc1 ZINC001162790353 1320958911 /nfs/dbraw/zinc/95/89/11/1320958911.db2.gz HEMNGXLYWYUVOH-UHFFFAOYSA-N 1 2 340.427 2.034 20 30 EEEDLO C#CCCCCCC(=O)NCCC[NH2+]Cc1noc(CC(C)C)n1 ZINC001163977539 1321261096 /nfs/dbraw/zinc/26/10/96/1321261096.db2.gz IZIXPDBOEYGCCP-UHFFFAOYSA-N 1 2 334.464 2.448 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCC1(C[NH2+]Cc2noc(CC)n2)CC1 ZINC001166692236 1321766526 /nfs/dbraw/zinc/76/65/26/1321766526.db2.gz BZJYROPTOJYIEC-UONOGXRCSA-N 1 2 334.464 2.466 20 30 EEEDLO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C1 ZINC001203760075 1321955031 /nfs/dbraw/zinc/95/50/31/1321955031.db2.gz BLMFXXMJEYPHBZ-RCCFBDPRSA-N 1 2 327.428 2.062 20 30 EEEDLO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@@H+](Cc3cccc(C#N)c3)[C@@H]2C1 ZINC001203760075 1321955033 /nfs/dbraw/zinc/95/50/33/1321955033.db2.gz BLMFXXMJEYPHBZ-RCCFBDPRSA-N 1 2 327.428 2.062 20 30 EEEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC001204147974 1322057659 /nfs/dbraw/zinc/05/76/59/1322057659.db2.gz FNRGBSADNZWPOK-UHFFFAOYSA-N 1 2 330.384 2.142 20 30 EEEDLO C=CCC[C@H]1CCCN1c1nnc(C[N@@H+]2CCC[C@@H](O)C2)n1CC ZINC001263044005 1322426033 /nfs/dbraw/zinc/42/60/33/1322426033.db2.gz CGHCNOWCISAYEA-JKSUJKDBSA-N 1 2 333.480 2.190 20 30 EEEDLO C=CCC[C@H]1CCCN1c1nnc(C[N@H+]2CCC[C@@H](O)C2)n1CC ZINC001263044005 1322426037 /nfs/dbraw/zinc/42/60/37/1322426037.db2.gz CGHCNOWCISAYEA-JKSUJKDBSA-N 1 2 333.480 2.190 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)NCc2cccs2)C1 ZINC001265285920 1323035885 /nfs/dbraw/zinc/03/58/85/1323035885.db2.gz KFCBSBLOAPUTBP-CABCVRRESA-N 1 2 349.500 2.300 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)NCc2cccs2)C1 ZINC001265285920 1323035893 /nfs/dbraw/zinc/03/58/93/1323035893.db2.gz KFCBSBLOAPUTBP-CABCVRRESA-N 1 2 349.500 2.300 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2csc(C3CC3)n2)C[C@H]1C ZINC001206914616 1323697486 /nfs/dbraw/zinc/69/74/86/1323697486.db2.gz LJMGLASSVFXMTM-DWQUBVKVSA-N 1 2 349.500 2.284 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2csc(C3CC3)n2)C[C@H]1C ZINC001206914616 1323697494 /nfs/dbraw/zinc/69/74/94/1323697494.db2.gz LJMGLASSVFXMTM-DWQUBVKVSA-N 1 2 349.500 2.284 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cccc(C#N)c4F)C3)C2)cc1C#N ZINC001279762333 1323992887 /nfs/dbraw/zinc/99/28/87/1323992887.db2.gz HXDASSSVCCKGCJ-UHFFFAOYSA-N 1 2 349.413 2.225 20 30 EEEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1CCc1ccccc1F ZINC001207496866 1323995183 /nfs/dbraw/zinc/99/51/83/1323995183.db2.gz SHOANWVILUQSKD-KRWDZBQOSA-N 1 2 330.407 2.299 20 30 EEEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1CCc1ccccc1F ZINC001207496866 1323995185 /nfs/dbraw/zinc/99/51/85/1323995185.db2.gz SHOANWVILUQSKD-KRWDZBQOSA-N 1 2 330.407 2.299 20 30 EEEDLO N#CCC1CN(C(=O)c2ccc3c(n2)CC[N@@H+](Cc2ccccn2)C3)C1 ZINC001279789098 1323998442 /nfs/dbraw/zinc/99/84/42/1323998442.db2.gz AKZADELISLFNBS-UHFFFAOYSA-N 1 2 347.422 2.021 20 30 EEEDLO N#CCC1CN(C(=O)c2ccc3c(n2)CC[N@H+](Cc2ccccn2)C3)C1 ZINC001279789098 1323998444 /nfs/dbraw/zinc/99/84/44/1323998444.db2.gz AKZADELISLFNBS-UHFFFAOYSA-N 1 2 347.422 2.021 20 30 EEEDLO C=CCOC(=O)N1CC[NH+](CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001209139689 1324817354 /nfs/dbraw/zinc/81/73/54/1324817354.db2.gz HBFRRQUWIAZDME-UHFFFAOYSA-N 1 2 341.452 2.184 20 30 EEEDLO O=C(c1[nH]nc2ccccc21)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001317308224 1332173311 /nfs/dbraw/zinc/17/33/11/1332173311.db2.gz QJZUFHMVWGYXNS-KRWDZBQOSA-N 1 2 344.418 2.419 20 30 EEEDLO Cc1ccn2ncc(C(=O)NCC[N@@H+](C)Cc3ccccc3C#N)c2c1 ZINC001317453011 1332248718 /nfs/dbraw/zinc/24/87/18/1332248718.db2.gz MCZKDYKOGKHCSV-UHFFFAOYSA-N 1 2 347.422 2.376 20 30 EEEDLO Cc1ccn2ncc(C(=O)NCC[N@H+](C)Cc3ccccc3C#N)c2c1 ZINC001317453011 1332248719 /nfs/dbraw/zinc/24/87/19/1332248719.db2.gz MCZKDYKOGKHCSV-UHFFFAOYSA-N 1 2 347.422 2.376 20 30 EEEDLO C[NH+]1CCN(c2ccc(C=[NH+][N-]c3ccc(Cl)nn3)cc2F)CC1 ZINC001317910066 1332442690 /nfs/dbraw/zinc/44/26/90/1332442690.db2.gz IFMATTWAONALTN-UHFFFAOYSA-N 1 2 348.813 2.467 20 30 EEEDLO C=C[C@@H](COC)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC001321242511 1333052984 /nfs/dbraw/zinc/05/29/84/1333052984.db2.gz BPVYZVVZBZHELT-HOCLYGCPSA-N 1 2 333.432 2.402 20 30 EEEDLO C=CC[C@H]([NH2+]C1CCN(C(=O)OCC(C)C)CC1)C(=O)OCC ZINC001321966307 1333187719 /nfs/dbraw/zinc/18/77/19/1333187719.db2.gz IBQTVXTZSBPTBH-HNNXBMFYSA-N 1 2 326.437 2.341 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@@H](CC=C)c3ccccc3)n2C)CC1 ZINC001339272767 1336983726 /nfs/dbraw/zinc/98/37/26/1336983726.db2.gz WLCSSCDQNQKZOS-SFHVURJKSA-N 1 2 335.455 2.278 20 30 EEEDLO C#Cc1ccc(NCc2cccc(OCC[NH+]3CCOCC3)c2)nc1 ZINC001339546422 1337026027 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CC(C)[C@@H](CCNC(=O)CCn1cc[nH+]c1)Nc1ccc(C#N)nc1 ZINC001115347010 1371576085 /nfs/dbraw/zinc/57/60/85/1371576085.db2.gz CFJVCDZSZGRIDD-QGZVFWFLSA-N 1 2 340.431 2.183 20 30 EEEDLO C[C@@H](C#N)C(=O)NC1CC2(C1)CC([NH2+]Cc1noc(C(C)(C)C)n1)C2 ZINC001120834226 1371831298 /nfs/dbraw/zinc/83/12/98/1371831298.db2.gz GERZHOXSJRLRNK-CKNZGFSTSA-N 1 2 345.447 2.044 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@H](C)C1 ZINC001121594608 1371904730 /nfs/dbraw/zinc/90/47/30/1371904730.db2.gz UGMYVIZNYJAREV-XHSDSOJGSA-N 1 2 331.464 2.236 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@H](C)C1 ZINC001121594608 1371904732 /nfs/dbraw/zinc/90/47/32/1371904732.db2.gz UGMYVIZNYJAREV-XHSDSOJGSA-N 1 2 331.464 2.236 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC[N@H+](C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC001366522493 1373935317 /nfs/dbraw/zinc/93/53/17/1373935317.db2.gz YQMHVWPRDIUKEE-QWRGUYRKSA-N 1 2 333.417 2.067 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC001366522493 1373935320 /nfs/dbraw/zinc/93/53/20/1373935320.db2.gz YQMHVWPRDIUKEE-QWRGUYRKSA-N 1 2 333.417 2.067 20 30 EEEDLO Cc1ocnc1C(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001367501918 1374186356 /nfs/dbraw/zinc/18/63/56/1374186356.db2.gz NEPNEVXIOKYZET-UHFFFAOYSA-N 1 2 330.363 2.198 20 30 EEEDLO Cc1ocnc1C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001367501918 1374186359 /nfs/dbraw/zinc/18/63/59/1374186359.db2.gz NEPNEVXIOKYZET-UHFFFAOYSA-N 1 2 330.363 2.198 20 30 EEEDLO CCCC[C@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001370065676 1374780654 /nfs/dbraw/zinc/78/06/54/1374780654.db2.gz YWMCUJFVSFGURO-GXTWGEPZSA-N 1 2 341.415 2.127 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)COC2CCCC2)s1 ZINC001375297494 1377598340 /nfs/dbraw/zinc/59/83/40/1377598340.db2.gz NPOBSIJKZSQKKB-ZDUSSCGKSA-N 1 2 333.457 2.269 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)COC2CCCC2)s1 ZINC001375297494 1377598346 /nfs/dbraw/zinc/59/83/46/1377598346.db2.gz NPOBSIJKZSQKKB-ZDUSSCGKSA-N 1 2 333.457 2.269 20 30 EEEDLO COCC1(CC(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC001377147120 1379002767 /nfs/dbraw/zinc/00/27/67/1379002767.db2.gz BLVCQEOBCPFDJQ-UHFFFAOYSA-N 1 2 333.407 2.062 20 30 EEEDLO COCC1(CC(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC001377147120 1379002769 /nfs/dbraw/zinc/00/27/69/1379002769.db2.gz BLVCQEOBCPFDJQ-UHFFFAOYSA-N 1 2 333.407 2.062 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)CC(F)(F)F ZINC001377377873 1379185032 /nfs/dbraw/zinc/18/50/32/1379185032.db2.gz IADVVUSJFPEWOM-SECBINFHSA-N 1 2 329.160 2.428 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)CC(F)(F)F ZINC001377377873 1379185035 /nfs/dbraw/zinc/18/50/35/1379185035.db2.gz IADVVUSJFPEWOM-SECBINFHSA-N 1 2 329.160 2.428 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccoc1 ZINC001377387511 1379194326 /nfs/dbraw/zinc/19/43/26/1379194326.db2.gz PBKYFMKVIVXVSM-ZDUSSCGKSA-N 1 2 327.222 2.311 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)Cc1ccoc1 ZINC001377387511 1379194328 /nfs/dbraw/zinc/19/43/28/1379194328.db2.gz PBKYFMKVIVXVSM-ZDUSSCGKSA-N 1 2 327.222 2.311 20 30 EEEDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+](CCNC(=O)[C@@H](C)C#N)C2CC2)c1 ZINC001377516132 1379323197 /nfs/dbraw/zinc/32/31/97/1379323197.db2.gz FCFGRYOTEDGLBF-GJZGRUSLSA-N 1 2 342.443 2.062 20 30 EEEDLO Cc1cccc(NC(=O)[C@H](C)[N@H+](CCNC(=O)[C@@H](C)C#N)C2CC2)c1 ZINC001377516132 1379323206 /nfs/dbraw/zinc/32/32/06/1379323206.db2.gz FCFGRYOTEDGLBF-GJZGRUSLSA-N 1 2 342.443 2.062 20 30 EEEDLO C[C@H](NC(=O)COCC1CC1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001378493491 1380037506 /nfs/dbraw/zinc/03/75/06/1380037506.db2.gz RIAMDBUPNMAZRP-ZDUSSCGKSA-N 1 2 345.418 2.060 20 30 EEEDLO CC#CCN1CC[NH+](CCNC(=O)C[C@@H](C)c2ccccc2C)CC1 ZINC001752374343 1406288939 /nfs/dbraw/zinc/28/89/39/1406288939.db2.gz FHROWPBARZIFLK-LJQANCHMSA-N 1 2 341.499 2.246 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCNC(=O)c1ccsc1 ZINC001392663327 1390141965 /nfs/dbraw/zinc/14/19/65/1390141965.db2.gz OYHDYEFHKPGETQ-LBPRGKRZSA-N 1 2 343.880 2.057 20 30 EEEDLO 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C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2CC)[C@H](O)C1 ZINC001090357793 794182982 /nfs/dbraw/zinc/18/29/82/794182982.db2.gz GMOOMTQXDXEWMW-DLBZAZTESA-N 1 2 336.863 2.095 20 30 EEEDLO C=CCCC(=O)NC[C@@]1(C)CN(c2nc(C)[nH+]c(C)c2C)CCO1 ZINC001092734061 794274775 /nfs/dbraw/zinc/27/47/75/794274775.db2.gz RJRLBPKJFRXRKA-SFHVURJKSA-N 1 2 332.448 2.080 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(CC)no2)C1 ZINC000999363728 794364945 /nfs/dbraw/zinc/36/49/45/794364945.db2.gz JSQKXNKPWODQNY-CQSZACIVSA-N 1 2 343.431 2.014 20 30 EEEDLO Cc1noc(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001079408674 794743765 /nfs/dbraw/zinc/74/37/65/794743765.db2.gz ARPOKUSOUCTBIG-SJKOYZFVSA-N 1 2 338.411 2.413 20 30 EEEDLO Cc1noc(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001079408674 794743768 /nfs/dbraw/zinc/74/37/68/794743768.db2.gz ARPOKUSOUCTBIG-SJKOYZFVSA-N 1 2 338.411 2.413 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(-c4nnc[nH]4)c3)CC[C@@H]21 ZINC001036788833 795011793 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C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)c3c(C)noc3C)CC2)C1 ZINC001093582662 795394866 /nfs/dbraw/zinc/39/48/66/795394866.db2.gz IKDODBFRMAMDMU-ZDUSSCGKSA-N 1 2 347.459 2.273 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cc(CCC)on3)CC2)C1 ZINC001093588920 795402221 /nfs/dbraw/zinc/40/22/21/795402221.db2.gz GPJARLCMMMLWQA-UHFFFAOYSA-N 1 2 333.432 2.119 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3coc(CCC)n3)CC2)C1 ZINC001093592753 795405646 /nfs/dbraw/zinc/40/56/46/795405646.db2.gz NABJJDCVVJOMDB-UHFFFAOYSA-N 1 2 333.432 2.119 20 30 EEEDLO C=C(C)CCC(=O)N1CC(N(CC)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001080015334 795484521 /nfs/dbraw/zinc/48/45/21/795484521.db2.gz IGKOMUNYMYLWMB-UHFFFAOYSA-N 1 2 346.475 2.342 20 30 EEEDLO C=CCCCC(=O)N1CC(N(CC)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001080015432 795484985 /nfs/dbraw/zinc/48/49/85/795484985.db2.gz KXXDDQHUYQEPIZ-UHFFFAOYSA-N 1 2 346.475 2.342 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC(N(CC)C(=O)CCCn2cc[nH+]c2)C1 ZINC001080027135 795504571 /nfs/dbraw/zinc/50/45/71/795504571.db2.gz UIYVUBLWILELHU-MRXNPFEDSA-N 1 2 346.475 2.325 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3cc(OC)ccn32)C1 ZINC001080131590 795634392 /nfs/dbraw/zinc/63/43/92/795634392.db2.gz QREJVVOTJJWOLI-BXUZGUMPSA-N 1 2 348.834 2.146 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3cc(OC)ccn32)C1 ZINC001080131590 795634397 /nfs/dbraw/zinc/63/43/97/795634397.db2.gz QREJVVOTJJWOLI-BXUZGUMPSA-N 1 2 348.834 2.146 20 30 EEEDLO C=CCC1(C(=O)N[C@@H](C)CCNC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001078037308 795781953 /nfs/dbraw/zinc/78/19/53/795781953.db2.gz PIKALJFAOSDCIZ-HNNXBMFYSA-N 1 2 346.475 2.490 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@@H+]1Cc1ccc(F)cn1 ZINC000993209205 795959466 /nfs/dbraw/zinc/95/94/66/795959466.db2.gz RXVOHUGUQMAVKT-LRDDRELGSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1Cc1ccc(F)cn1 ZINC000993209205 795959474 /nfs/dbraw/zinc/95/94/74/795959474.db2.gz RXVOHUGUQMAVKT-LRDDRELGSA-N 1 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ZINC001106658426 796064218 /nfs/dbraw/zinc/06/42/18/796064218.db2.gz IYZGOXAARKLZJD-LBPRGKRZSA-N 1 2 338.415 2.289 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cccc(C4CC4)c3)nn2)C1 ZINC001094340564 796114890 /nfs/dbraw/zinc/11/48/90/796114890.db2.gz NQFJHHOBDTZUKT-UHFFFAOYSA-N 1 2 337.427 2.128 20 30 EEEDLO Cc1nc(NCCCNC(=O)c2ccc(C#N)[nH]2)c2c([nH+]1)CCCC2 ZINC001094368849 796167517 /nfs/dbraw/zinc/16/75/17/796167517.db2.gz BMCWLGJEKZJXMY-UHFFFAOYSA-N 1 2 338.415 2.096 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001078307697 796251876 /nfs/dbraw/zinc/25/18/76/796251876.db2.gz IRXLIMQWUCLUOX-KBPBESRZSA-N 1 2 346.475 2.443 20 30 EEEDLO COc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)o1 ZINC001080661745 796290218 /nfs/dbraw/zinc/29/02/18/796290218.db2.gz JEGZZJLMBPCPJO-CZUORRHYSA-N 1 2 339.395 2.410 20 30 EEEDLO COc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)o1 ZINC001080661745 796290222 /nfs/dbraw/zinc/29/02/22/796290222.db2.gz JEGZZJLMBPCPJO-CZUORRHYSA-N 1 2 339.395 2.410 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@]1(C)CCOC1 ZINC001080675670 796304275 /nfs/dbraw/zinc/30/42/75/796304275.db2.gz AQQZILOUCKZYGO-XVSDVWIESA-N 1 2 345.418 2.060 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@]1(C)CCOC1 ZINC001080675670 796304283 /nfs/dbraw/zinc/30/42/83/796304283.db2.gz AQQZILOUCKZYGO-XVSDVWIESA-N 1 2 345.418 2.060 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2Cc3cccc(F)c3O2)C1 ZINC001080967006 796525101 /nfs/dbraw/zinc/52/51/01/796525101.db2.gz AUWSLWDKMAFLLS-VCTAVGKDSA-N 1 2 338.810 2.318 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2Cc3cccc(F)c3O2)C1 ZINC001080967006 796525104 /nfs/dbraw/zinc/52/51/04/796525104.db2.gz AUWSLWDKMAFLLS-VCTAVGKDSA-N 1 2 338.810 2.318 20 30 EEEDLO C#Cc1ccc(C(=O)NC2C[NH+](Cc3cc(C)sc3C)C2)nc1 ZINC001031278859 796641534 /nfs/dbraw/zinc/64/15/34/796641534.db2.gz CRIOIXNKSUJESS-UHFFFAOYSA-N 1 2 325.437 2.355 20 30 EEEDLO C=C(C)CCC(=O)N(CC)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001081112953 796654207 /nfs/dbraw/zinc/65/42/07/796654207.db2.gz DHZVERPQVGGJRB-UHFFFAOYSA-N 1 2 346.475 2.396 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2scnc2C(F)(F)F)[C@H]1C ZINC000993437452 796683980 /nfs/dbraw/zinc/68/39/80/796683980.db2.gz CLUMSVIZVYFLGB-ZJUUUORDSA-N 1 2 331.363 2.378 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2scnc2C(F)(F)F)[C@H]1C ZINC000993437452 796683983 /nfs/dbraw/zinc/68/39/83/796683983.db2.gz CLUMSVIZVYFLGB-ZJUUUORDSA-N 1 2 331.363 2.378 20 30 EEEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)C1CCC1 ZINC001081258578 796689764 /nfs/dbraw/zinc/68/97/64/796689764.db2.gz XFEZBQLZSWQZEB-QZTJIDSGSA-N 1 2 346.858 2.307 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)C1CCC1 ZINC001081258578 796689769 /nfs/dbraw/zinc/68/97/69/796689769.db2.gz XFEZBQLZSWQZEB-QZTJIDSGSA-N 1 2 346.858 2.307 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccccc1 ZINC001081296556 796721937 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ZINC001128480758 800050364 /nfs/dbraw/zinc/05/03/64/800050364.db2.gz HEXWKRJGXKSDLO-LJQANCHMSA-N 1 2 348.491 2.344 20 30 EEEDLO Cc1ccccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001090033612 800055015 /nfs/dbraw/zinc/05/50/15/800055015.db2.gz KYMKNPMBZICWNV-VQTJNVASSA-N 1 2 349.434 2.232 20 30 EEEDLO Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001090033612 800055025 /nfs/dbraw/zinc/05/50/25/800055025.db2.gz KYMKNPMBZICWNV-VQTJNVASSA-N 1 2 349.434 2.232 20 30 EEEDLO CN(C(=O)C(C)(F)F)[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032855714 800125874 /nfs/dbraw/zinc/12/58/74/800125874.db2.gz FQRZDEXNXSOXHU-ZDUSSCGKSA-N 1 2 325.334 2.385 20 30 EEEDLO CN(C(=O)C(C)(F)F)[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032855714 800125879 /nfs/dbraw/zinc/12/58/79/800125879.db2.gz FQRZDEXNXSOXHU-ZDUSSCGKSA-N 1 2 325.334 2.385 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](Cc2coc(C)n2)CC1 ZINC001003763584 800133868 /nfs/dbraw/zinc/13/38/68/800133868.db2.gz 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CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)c1ccccn1 ZINC001085457943 800549402 /nfs/dbraw/zinc/54/94/02/800549402.db2.gz WXXSPHFUCQDQQL-CYBMUJFWSA-N 1 2 326.425 2.361 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)c1ccccn1 ZINC001085457943 800549408 /nfs/dbraw/zinc/54/94/08/800549408.db2.gz WXXSPHFUCQDQQL-CYBMUJFWSA-N 1 2 326.425 2.361 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1cncc(F)c1 ZINC001085542524 800728289 /nfs/dbraw/zinc/72/82/89/800728289.db2.gz ZVGGUCLJPSTUAJ-IBGZPJMESA-N 1 2 337.398 2.419 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)c1cncc(F)c1 ZINC001085542524 800728292 /nfs/dbraw/zinc/72/82/92/800728292.db2.gz ZVGGUCLJPSTUAJ-IBGZPJMESA-N 1 2 337.398 2.419 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)c1cc[nH]c(=O)c1 ZINC001085542830 800729234 /nfs/dbraw/zinc/72/92/34/800729234.db2.gz HYPRYHOJEHOZSG-CYBMUJFWSA-N 1 2 342.424 2.067 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)c1cc[nH]c(=O)c1 ZINC001085542830 800729236 /nfs/dbraw/zinc/72/92/36/800729236.db2.gz HYPRYHOJEHOZSG-CYBMUJFWSA-N 1 2 342.424 2.067 20 30 EEEDLO CCc1nc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)co1 ZINC001085555130 800758914 /nfs/dbraw/zinc/75/89/14/800758914.db2.gz MQYQJPGRFYOPEV-INIZCTEOSA-N 1 2 338.411 2.455 20 30 EEEDLO CCc1nc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)co1 ZINC001085555130 800758921 /nfs/dbraw/zinc/75/89/21/800758921.db2.gz MQYQJPGRFYOPEV-INIZCTEOSA-N 1 2 338.411 2.455 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2ccc(C)cc2)C1 ZINC001108062451 800799375 /nfs/dbraw/zinc/79/93/75/800799375.db2.gz AVSZTZLUVCTRGM-HXUWFJFHSA-N 1 2 328.456 2.158 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCc2ccc(C)cc2)C1 ZINC001108062451 800799379 /nfs/dbraw/zinc/79/93/79/800799379.db2.gz AVSZTZLUVCTRGM-HXUWFJFHSA-N 1 2 328.456 2.158 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001085572953 800804266 /nfs/dbraw/zinc/80/42/66/800804266.db2.gz JIZPPGOBWNGWNQ-ULQDDVLXSA-N 1 2 332.394 2.472 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001085572953 800804273 /nfs/dbraw/zinc/80/42/73/800804273.db2.gz JIZPPGOBWNGWNQ-ULQDDVLXSA-N 1 2 332.394 2.472 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cncs1 ZINC001085641564 800955192 /nfs/dbraw/zinc/95/51/92/800955192.db2.gz QCFIMYLYLUGNRM-CQSZACIVSA-N 1 2 330.457 2.477 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cncs1 ZINC001085641564 800955197 /nfs/dbraw/zinc/95/51/97/800955197.db2.gz QCFIMYLYLUGNRM-CQSZACIVSA-N 1 2 330.457 2.477 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1nccnc1C ZINC001085641736 800956650 /nfs/dbraw/zinc/95/66/50/800956650.db2.gz VSRNFEIYAMSCDS-MRXNPFEDSA-N 1 2 339.443 2.119 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1nccnc1C ZINC001085641736 800956652 /nfs/dbraw/zinc/95/66/52/800956652.db2.gz VSRNFEIYAMSCDS-MRXNPFEDSA-N 1 2 339.443 2.119 20 30 EEEDLO CN(C(=O)C1=CCOCC1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033032679 801013808 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EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C3(C(C)(F)F)CC3)c2C1 ZINC001128493938 801061946 /nfs/dbraw/zinc/06/19/46/801061946.db2.gz GJDZEXVVGFULHX-UHFFFAOYSA-N 1 2 338.402 2.326 20 30 EEEDLO C#CCCCC(=O)N[C@@H](C)CCCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001090074872 801156865 /nfs/dbraw/zinc/15/68/65/801156865.db2.gz OQIXXAXWHNLDKE-AWEZNQCLSA-N 1 2 346.479 2.136 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001004225390 801346355 /nfs/dbraw/zinc/34/63/55/801346355.db2.gz RPUKWLUWBHRRMA-AUUYWEPGSA-N 1 2 344.459 2.007 20 30 EEEDLO CN(C(=O)[C@@H]1CC1(F)F)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033063494 801372619 /nfs/dbraw/zinc/37/26/19/801372619.db2.gz BUOGBCOHDWFFTD-CABCVRRESA-N 1 2 337.345 2.385 20 30 EEEDLO CN(C(=O)[C@@H]1CC1(F)F)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033063494 801372623 /nfs/dbraw/zinc/37/26/23/801372623.db2.gz BUOGBCOHDWFFTD-CABCVRRESA-N 1 2 337.345 2.385 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1c[nH]nc1C1CC1 ZINC001085903574 801610624 /nfs/dbraw/zinc/61/06/24/801610624.db2.gz IREOIVIWOXJLEL-SFHVURJKSA-N 1 2 348.450 2.485 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)c1c[nH]nc1C1CC1 ZINC001085903574 801610631 /nfs/dbraw/zinc/61/06/31/801610631.db2.gz IREOIVIWOXJLEL-SFHVURJKSA-N 1 2 348.450 2.485 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)[C@]2(C)CC(=C)CN2C(=O)OC(C)(C)C)CC1 ZINC001183622079 801682547 /nfs/dbraw/zinc/68/25/47/801682547.db2.gz GFCURIHGLPIFER-IBGZPJMESA-N 1 2 349.475 2.272 20 30 EEEDLO COCC1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001183830495 801761145 /nfs/dbraw/zinc/76/11/45/801761145.db2.gz ZRLNXUPQJGXDEQ-SFHVURJKSA-N 1 2 327.428 2.018 20 30 EEEDLO COCC1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001183830495 801761150 /nfs/dbraw/zinc/76/11/50/801761150.db2.gz ZRLNXUPQJGXDEQ-SFHVURJKSA-N 1 2 327.428 2.018 20 30 EEEDLO N#Cc1cccc(N2C[C@H](C(=O)Nc3ccn4cc[nH+]c4c3)OC2=O)c1 ZINC001184374891 801999693 /nfs/dbraw/zinc/99/96/93/801999693.db2.gz VICSLRMNVIXSHR-OAHLLOKOSA-N 1 2 347.334 2.170 20 30 EEEDLO C#CCCCCCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(COC)no2)C1 ZINC001184900134 802235661 /nfs/dbraw/zinc/23/56/61/802235661.db2.gz IZPWBAHGXWAOTM-LSDHHAIUSA-N 1 2 348.447 2.051 20 30 EEEDLO CC(C)Cn1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)cn1 ZINC001004585748 802426128 /nfs/dbraw/zinc/42/61/28/802426128.db2.gz KCYGSEXBCYNHJE-SFHVURJKSA-N 1 2 343.475 2.379 20 30 EEEDLO CC(C)Cn1cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)cn1 ZINC001004585748 802426131 /nfs/dbraw/zinc/42/61/31/802426131.db2.gz KCYGSEXBCYNHJE-SFHVURJKSA-N 1 2 343.475 2.379 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC001004612064 802481486 /nfs/dbraw/zinc/48/14/86/802481486.db2.gz YVYYHBKVUDWYEK-KRWDZBQOSA-N 1 2 337.427 2.403 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC001004612064 802481493 /nfs/dbraw/zinc/48/14/93/802481493.db2.gz YVYYHBKVUDWYEK-KRWDZBQOSA-N 1 2 337.427 2.403 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnc3ccccc32)[C@@H](O)C1 ZINC001090407735 802501600 /nfs/dbraw/zinc/50/16/00/802501600.db2.gz RNUCUBSYQCKSBF-IRXDYDNUSA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccnc3ccccc32)[C@@H](O)C1 ZINC001090407735 802501607 /nfs/dbraw/zinc/50/16/07/802501607.db2.gz RNUCUBSYQCKSBF-IRXDYDNUSA-N 1 2 345.830 2.152 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001108281231 803087050 /nfs/dbraw/zinc/08/70/50/803087050.db2.gz DUVHGGBEKRMQME-BEFAXECRSA-N 1 2 332.444 2.230 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001108281231 803087058 /nfs/dbraw/zinc/08/70/58/803087058.db2.gz DUVHGGBEKRMQME-BEFAXECRSA-N 1 2 332.444 2.230 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2csc(NC(C)=O)n2)C1 ZINC001033214160 803253026 /nfs/dbraw/zinc/25/30/26/803253026.db2.gz QMZHJQWBAWBUNZ-NSHDSACASA-N 1 2 342.852 2.000 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2csc(NC(C)=O)n2)C1 ZINC001033214160 803253030 /nfs/dbraw/zinc/25/30/30/803253030.db2.gz QMZHJQWBAWBUNZ-NSHDSACASA-N 1 2 342.852 2.000 20 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ZINC000329786337 539783500 /nfs/dbraw/zinc/78/35/00/539783500.db2.gz QPMFVVFHENXGLO-LBPRGKRZSA-N 1 2 330.388 2.414 20 30 EEEDLO N#CCC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000103469118 237076230 /nfs/dbraw/zinc/07/62/30/237076230.db2.gz RYHSNFPSGASYHQ-UHFFFAOYSA-N 1 2 337.221 2.408 20 30 EEEDLO C[C@@H](C#N)S(=O)(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000416377065 239210314 /nfs/dbraw/zinc/21/03/14/239210314.db2.gz WEPIBYXIOHTDSO-HNNXBMFYSA-N 1 2 343.452 2.199 20 30 EEEDLO N#Cc1cccc(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000446692523 242213451 /nfs/dbraw/zinc/21/34/51/242213451.db2.gz RXABYYJVBCZFHJ-UHFFFAOYSA-N 1 2 331.335 2.321 20 30 EEEDLO N#Cc1ccc(OCC[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1 ZINC000451792274 243263038 /nfs/dbraw/zinc/26/30/38/243263038.db2.gz ARZOZRAUGCRMHS-HNNXBMFYSA-N 1 2 337.370 2.173 20 30 EEEDLO N#Cc1ccc(OCC[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1 ZINC000451792274 243263043 /nfs/dbraw/zinc/26/30/43/243263043.db2.gz ARZOZRAUGCRMHS-HNNXBMFYSA-N 1 2 337.370 2.173 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)CCC(=O)c2ccccc2)n1 ZINC000491405752 246021203 /nfs/dbraw/zinc/02/12/03/246021203.db2.gz KFXODURJOUBFGE-UHFFFAOYSA-N 1 2 325.412 2.238 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)CCC(=O)c2ccccc2)n1 ZINC000491405752 246021207 /nfs/dbraw/zinc/02/12/07/246021207.db2.gz KFXODURJOUBFGE-UHFFFAOYSA-N 1 2 325.412 2.238 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)CCOc2ccccc2F)n1 ZINC000491485073 246045236 /nfs/dbraw/zinc/04/52/36/246045236.db2.gz MVADTVSXMNMVBN-UHFFFAOYSA-N 1 2 331.391 2.183 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)CCOc2ccccc2F)n1 ZINC000491485073 246045242 /nfs/dbraw/zinc/04/52/42/246045242.db2.gz MVADTVSXMNMVBN-UHFFFAOYSA-N 1 2 331.391 2.183 20 30 EEEDLO COCCCO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000495341150 247128057 /nfs/dbraw/zinc/12/80/57/247128057.db2.gz ADRCCYPQRSKNFO-UHFFFAOYSA-N 1 2 337.420 2.385 20 30 EEEDLO C#CCOc1cc(F)ccc1NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000266439002 248301415 /nfs/dbraw/zinc/30/14/15/248301415.db2.gz WZHVTQGVLXYZBQ-KBPBESRZSA-N 1 2 349.406 2.068 20 30 EEEDLO C=CCOc1ccc(C[N@@H+](C)CCS(=O)(=O)CC)cc1OC ZINC000093643423 218238266 /nfs/dbraw/zinc/23/82/66/218238266.db2.gz PKVQTPPXEQRPOZ-UHFFFAOYSA-N 1 2 327.446 2.127 20 30 EEEDLO C=CCOc1ccc(C[N@H+](C)CCS(=O)(=O)CC)cc1OC ZINC000093643423 218238270 /nfs/dbraw/zinc/23/82/70/218238270.db2.gz PKVQTPPXEQRPOZ-UHFFFAOYSA-N 1 2 327.446 2.127 20 30 EEEDLO C#CC[N@@H+](CCc1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000491811805 533133206 /nfs/dbraw/zinc/13/32/06/533133206.db2.gz CWDKRQSAUNRLFR-CQSZACIVSA-N 1 2 329.824 2.144 20 30 EEEDLO C#CC[N@H+](CCc1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000491811805 533133209 /nfs/dbraw/zinc/13/32/09/533133209.db2.gz CWDKRQSAUNRLFR-CQSZACIVSA-N 1 2 329.824 2.144 20 30 EEEDLO C#C[C@H](CC)NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000491569404 533303533 /nfs/dbraw/zinc/30/35/33/533303533.db2.gz VWUVAVRKJMPPES-MSOLQXFVSA-N 1 2 329.444 2.079 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247690294 160331304 /nfs/dbraw/zinc/33/13/04/160331304.db2.gz SOBFRVHSZKKOER-CJNGLKHVSA-N 1 2 344.440 2.335 20 30 EEEDLO Cn1cc[nH+]c1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000343303581 161122524 /nfs/dbraw/zinc/12/25/24/161122524.db2.gz SYHOYBJBGAEBSN-UHFFFAOYSA-N 1 2 336.351 2.394 20 30 EEEDLO CC(C)c1nnc(C[N@H+](C)CCOCc2ccc(C#N)cc2)n1C ZINC000344077550 161196608 /nfs/dbraw/zinc/19/66/08/161196608.db2.gz VZAITPSDURIESW-UHFFFAOYSA-N 1 2 327.432 2.459 20 30 EEEDLO CC(C)c1nnc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)n1C ZINC000344077550 161196609 /nfs/dbraw/zinc/19/66/09/161196609.db2.gz VZAITPSDURIESW-UHFFFAOYSA-N 1 2 327.432 2.459 20 30 EEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000141053359 292464017 /nfs/dbraw/zinc/46/40/17/292464017.db2.gz MAUBRRHXGFYABR-OAHLLOKOSA-N 1 2 341.333 2.132 20 30 EEEDLO Cc1cccc2ncc(C[N@H+]3CCN(c4nccnc4C#N)C[C@@H]3C)n21 ZINC000354995268 163044272 /nfs/dbraw/zinc/04/42/72/163044272.db2.gz TZOZMKZIVQYNPH-HNNXBMFYSA-N 1 2 347.426 2.015 20 30 EEEDLO Cc1cccc2ncc(C[N@@H+]3CCN(c4nccnc4C#N)C[C@@H]3C)n21 ZINC000354995268 163044274 /nfs/dbraw/zinc/04/42/74/163044274.db2.gz TZOZMKZIVQYNPH-HNNXBMFYSA-N 1 2 347.426 2.015 20 30 EEEDLO COCc1cc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)ccc1F ZINC000360061757 164225618 /nfs/dbraw/zinc/22/56/18/164225618.db2.gz SYQWAVCINASGCX-KRWDZBQOSA-N 1 2 327.359 2.160 20 30 EEEDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2ccc(C#N)s2)C[C@H](C)O1 ZINC000331443195 267053781 /nfs/dbraw/zinc/05/37/81/267053781.db2.gz XWCRNHQGUKQSMF-MJBXVCDLSA-N 1 2 333.457 2.334 20 30 EEEDLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2ccc(C#N)s2)C[C@H](C)O1 ZINC000331443195 267053782 /nfs/dbraw/zinc/05/37/82/267053782.db2.gz XWCRNHQGUKQSMF-MJBXVCDLSA-N 1 2 333.457 2.334 20 30 EEEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000292542337 267216712 /nfs/dbraw/zinc/21/67/12/267216712.db2.gz JOSKCKPRFYQDPF-BLLLJJGKSA-N 1 2 348.403 2.166 20 30 EEEDLO Cc1ccc(C#N)c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)n1 ZINC000280696830 267375080 /nfs/dbraw/zinc/37/50/80/267375080.db2.gz GJSXPQTUFSCGCN-MOPGFXCFSA-N 1 2 334.423 2.351 20 30 EEEDLO Cc1ccc(C#N)c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)n1 ZINC000280696830 267375083 /nfs/dbraw/zinc/37/50/83/267375083.db2.gz GJSXPQTUFSCGCN-MOPGFXCFSA-N 1 2 334.423 2.351 20 30 EEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000376740067 268138871 /nfs/dbraw/zinc/13/88/71/268138871.db2.gz PYEWQPAYFQRVKX-UHFFFAOYSA-N 1 2 345.406 2.449 20 30 EEEDLO N#Cc1cc(NC(=O)NCCn2cc[nH+]c2)ccc1OC(F)(F)F ZINC000442192027 268188070 /nfs/dbraw/zinc/18/80/70/268188070.db2.gz SGEVSTPPFFAFOP-UHFFFAOYSA-N 1 2 339.277 2.475 20 30 EEEDLO N#Cc1ccncc1N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000555650684 318598993 /nfs/dbraw/zinc/59/89/93/318598993.db2.gz DIPMAMGYOCOBAR-UHFFFAOYSA-N 1 2 344.422 2.461 20 30 EEEDLO Cn1ncc2c1CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C2 ZINC000566783489 319320116 /nfs/dbraw/zinc/32/01/16/319320116.db2.gz WKKOYVGHJIWXNO-UHFFFAOYSA-N 1 2 343.818 2.332 20 30 EEEDLO Cn1ncc2c1CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C2 ZINC000566783489 319320119 /nfs/dbraw/zinc/32/01/19/319320119.db2.gz WKKOYVGHJIWXNO-UHFFFAOYSA-N 1 2 343.818 2.332 20 30 EEEDLO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000336870541 465062116 /nfs/dbraw/zinc/06/21/16/465062116.db2.gz JUKJNVKBJLAGNX-SJORKVTESA-N 1 2 335.473 2.040 20 30 EEEDLO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000336870541 465062121 /nfs/dbraw/zinc/06/21/21/465062121.db2.gz JUKJNVKBJLAGNX-SJORKVTESA-N 1 2 335.473 2.040 20 30 EEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000328840074 465143622 /nfs/dbraw/zinc/14/36/22/465143622.db2.gz UJEJWUHORMRXSC-YIYPIFLZSA-N 1 2 336.436 2.486 20 30 EEEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000328840074 465143630 /nfs/dbraw/zinc/14/36/30/465143630.db2.gz UJEJWUHORMRXSC-YIYPIFLZSA-N 1 2 336.436 2.486 20 30 EEEDLO C=CCOc1cccnc1C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000341415625 465154088 /nfs/dbraw/zinc/15/40/88/465154088.db2.gz DJOWTAIEADCWGA-INIZCTEOSA-N 1 2 347.459 2.123 20 30 EEEDLO O=C(C[N@@H+]1CCOCC12CCCC2)NC[C@H]1COc2ccccc2O1 ZINC000328913158 465165257 /nfs/dbraw/zinc/16/52/57/465165257.db2.gz HWLKNJBYWYOSSP-HNNXBMFYSA-N 1 2 346.427 2.428 20 30 EEEDLO O=C(C[N@H+]1CCOCC12CCCC2)NC[C@H]1COc2ccccc2O1 ZINC000328913158 465165261 /nfs/dbraw/zinc/16/52/61/465165261.db2.gz HWLKNJBYWYOSSP-HNNXBMFYSA-N 1 2 346.427 2.428 20 30 EEEDLO O=C(NCCc1ccc2c(c1)OCCO2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328947959 465177687 /nfs/dbraw/zinc/17/76/87/465177687.db2.gz VYUBTLZVXVSRQR-CQSZACIVSA-N 1 2 327.384 2.416 20 30 EEEDLO Cc1cc(NC(=O)C[NH2+][C@H](c2nc(C)no2)C2CCOCC2)on1 ZINC000328971028 465187463 /nfs/dbraw/zinc/18/74/63/465187463.db2.gz OQVUARUEOISJGT-AWEZNQCLSA-N 1 2 335.364 2.020 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2c(C)cccc2Cl)C1=O ZINC000337201914 465241281 /nfs/dbraw/zinc/24/12/81/465241281.db2.gz DMKKEKLBOXWHKJ-AWEZNQCLSA-N 1 2 335.835 2.306 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2Cl)C1=O ZINC000337201914 465241282 /nfs/dbraw/zinc/24/12/82/465241282.db2.gz DMKKEKLBOXWHKJ-AWEZNQCLSA-N 1 2 335.835 2.306 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CCN(Cc3ccccc3)[C@@H](CC)C2)C1=O ZINC000337205794 465242469 /nfs/dbraw/zinc/24/24/69/465242469.db2.gz LGAZEOTWRDMEKT-OALUTQOASA-N 1 2 327.472 2.370 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CCN(Cc3ccccc3)[C@@H](CC)C2)C1=O ZINC000337205794 465242478 /nfs/dbraw/zinc/24/24/78/465242478.db2.gz LGAZEOTWRDMEKT-OALUTQOASA-N 1 2 327.472 2.370 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)C1=O ZINC000337222386 465252112 /nfs/dbraw/zinc/25/21/12/465252112.db2.gz LXGZZUILSNAIJK-RYRKJORJSA-N 1 2 343.471 2.014 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)C1=O ZINC000337222386 465252115 /nfs/dbraw/zinc/25/21/15/465252115.db2.gz LXGZZUILSNAIJK-RYRKJORJSA-N 1 2 343.471 2.014 20 30 EEEDLO CC#CCN(C)C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000297336658 465253342 /nfs/dbraw/zinc/25/33/42/465253342.db2.gz GXENNKRFDQKACS-GOSISDBHSA-N 1 2 329.444 2.033 20 30 EEEDLO C=CC[N@H+](Cc1ccccc1F)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000297721371 465268218 /nfs/dbraw/zinc/26/82/18/465268218.db2.gz BLBWDDLFTJUXMC-KRWDZBQOSA-N 1 2 328.391 2.353 20 30 EEEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000297721371 465268225 /nfs/dbraw/zinc/26/82/25/465268225.db2.gz BLBWDDLFTJUXMC-KRWDZBQOSA-N 1 2 328.391 2.353 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000341988566 465282709 /nfs/dbraw/zinc/28/27/09/465282709.db2.gz IXVYKNCRLUNVAR-UHFFFAOYSA-N 1 2 333.407 2.003 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccncn2)CC1 ZINC000298067871 465291254 /nfs/dbraw/zinc/29/12/54/465291254.db2.gz GVPUFQFPVHMBTG-GOSISDBHSA-N 1 2 336.395 2.442 20 30 EEEDLO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000298077486 465293996 /nfs/dbraw/zinc/29/39/96/465293996.db2.gz BOLBCUUEXFNECU-LZLYRXPVSA-N 1 2 328.460 2.172 20 30 EEEDLO CCc1ccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cn1 ZINC000347914733 465305241 /nfs/dbraw/zinc/30/52/41/465305241.db2.gz ILHBFFPRTCVTJG-FOIQADDNSA-N 1 2 332.407 2.489 20 30 EEEDLO CCc1ccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cn1 ZINC000347914733 465305247 /nfs/dbraw/zinc/30/52/47/465305247.db2.gz ILHBFFPRTCVTJG-FOIQADDNSA-N 1 2 332.407 2.489 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000329379970 465316138 /nfs/dbraw/zinc/31/61/38/465316138.db2.gz NHEMLJONNJTRIJ-JLSDUUJJSA-N 1 2 344.459 2.242 20 30 EEEDLO CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329495975 465353673 /nfs/dbraw/zinc/35/36/73/465353673.db2.gz XEUQXDTZJOHJRE-OBJOEFQTSA-N 1 2 336.461 2.102 20 30 EEEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N(C)C[C@@H](C)C#N)cc1 ZINC000339568935 465355681 /nfs/dbraw/zinc/35/56/81/465355681.db2.gz OAILFLOFZSTXPX-WMZOPIPTSA-N 1 2 344.459 2.169 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000534864210 468279368 /nfs/dbraw/zinc/27/93/68/468279368.db2.gz ZHESWXTXPVZVHJ-GOSISDBHSA-N 1 2 329.448 2.012 20 30 EEEDLO CC(C)c1noc(CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)n1 ZINC000074285542 462578734 /nfs/dbraw/zinc/57/87/34/462578734.db2.gz MZWQYLQZQUDVGT-UHFFFAOYSA-N 1 2 344.419 2.415 20 30 EEEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000063589820 462656342 /nfs/dbraw/zinc/65/63/42/462656342.db2.gz RQGSBEDTVVWVPE-UHFFFAOYSA-N 1 2 346.374 2.035 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CCc2ccccc2)CC1 ZINC000491154385 468310222 /nfs/dbraw/zinc/31/02/22/468310222.db2.gz JGSRWALAGRQVPB-UHFFFAOYSA-N 1 2 337.471 2.399 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCc2nccn2C)cc1 ZINC000075134030 462684034 /nfs/dbraw/zinc/68/40/34/462684034.db2.gz CBCGEFVKMOLGJR-KRWDZBQOSA-N 1 2 338.411 2.035 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCc2nccn2C)cc1 ZINC000075134030 462684039 /nfs/dbraw/zinc/68/40/39/462684039.db2.gz CBCGEFVKMOLGJR-KRWDZBQOSA-N 1 2 338.411 2.035 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(CC(N)=O)CC2)c1C#N ZINC000091066611 462828140 /nfs/dbraw/zinc/82/81/40/462828140.db2.gz GTXBADJPXOJVDQ-UHFFFAOYSA-N 1 2 337.427 2.140 20 30 EEEDLO CC[N@@H+](CC(=O)NCc1ccccc1Cn1cccn1)C[C@@H](C)C#N ZINC000066424141 462888196 /nfs/dbraw/zinc/88/81/96/462888196.db2.gz FKBQDHATTSUFAT-INIZCTEOSA-N 1 2 339.443 2.029 20 30 EEEDLO CC[N@H+](CC(=O)NCc1ccccc1Cn1cccn1)C[C@@H](C)C#N ZINC000066424141 462888199 /nfs/dbraw/zinc/88/81/99/462888199.db2.gz FKBQDHATTSUFAT-INIZCTEOSA-N 1 2 339.443 2.029 20 30 EEEDLO C[C@H](C#N)CN(C)CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000066469856 462893294 /nfs/dbraw/zinc/89/32/94/462893294.db2.gz CAYWIIWPISPANI-OAHLLOKOSA-N 1 2 348.878 2.076 20 30 EEEDLO C=CC[N@@H+](CCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066559875 462903641 /nfs/dbraw/zinc/90/36/41/462903641.db2.gz SUIOWNOPQTXXGR-HNNXBMFYSA-N 1 2 327.421 2.270 20 30 EEEDLO C=CC[N@H+](CCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066559875 462903647 /nfs/dbraw/zinc/90/36/47/462903647.db2.gz SUIOWNOPQTXXGR-HNNXBMFYSA-N 1 2 327.421 2.270 20 30 EEEDLO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000133527275 462942714 /nfs/dbraw/zinc/94/27/14/462942714.db2.gz NTYBWMRXYPLDMZ-UHFFFAOYSA-N 1 2 332.404 2.207 20 30 EEEDLO N#Cc1nnc2ccccc2c1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000077188279 462949424 /nfs/dbraw/zinc/94/94/24/462949424.db2.gz MNRFCGKXGVRRNN-UHFFFAOYSA-N 1 2 346.394 2.345 20 30 EEEDLO N#CCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000078122952 463085854 /nfs/dbraw/zinc/08/58/54/463085854.db2.gz AQNPFTPPQYAVTF-GOSISDBHSA-N 1 2 327.428 2.182 20 30 EEEDLO N#CCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000078122952 463085860 /nfs/dbraw/zinc/08/58/60/463085860.db2.gz AQNPFTPPQYAVTF-GOSISDBHSA-N 1 2 327.428 2.182 20 30 EEEDLO C=C(C)COCCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000135025041 463109272 /nfs/dbraw/zinc/10/92/72/463109272.db2.gz SDBMOMHIAHTTFX-UHFFFAOYSA-N 1 2 342.443 2.366 20 30 EEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000078616149 463134706 /nfs/dbraw/zinc/13/47/06/463134706.db2.gz UDHKHZAFCIKJII-QFBILLFUSA-N 1 2 340.471 2.316 20 30 EEEDLO COC(=O)c1ccc([C@H](C)[NH+]2CCN(c3cc(C#N)ccn3)CC2)o1 ZINC000025941259 463144969 /nfs/dbraw/zinc/14/49/69/463144969.db2.gz RVXCBXYBCUATSE-ZDUSSCGKSA-N 1 2 340.383 2.216 20 30 EEEDLO C[C@@H](C#N)CN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000079015270 463179213 /nfs/dbraw/zinc/17/92/13/463179213.db2.gz KVYKVVIIJPZREK-SWLSCSKDSA-N 1 2 329.379 2.450 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000069341202 463232692 /nfs/dbraw/zinc/23/26/92/463232692.db2.gz DCMLCTFKTYHUMM-WMZOPIPTSA-N 1 2 332.444 2.157 20 30 EEEDLO Cn1ncc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C1CC1 ZINC000139579530 463328286 /nfs/dbraw/zinc/32/82/86/463328286.db2.gz OJTATXQJNYFGCJ-UHFFFAOYSA-N 1 2 349.438 2.127 20 30 EEEDLO C#CCN(CC)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000056583026 463410727 /nfs/dbraw/zinc/41/07/27/463410727.db2.gz PDJCRUZBFRENAH-MRXNPFEDSA-N 1 2 326.400 2.183 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000151269654 463503933 /nfs/dbraw/zinc/50/39/33/463503933.db2.gz SOBFRVHSZKKOER-XJKSGUPXSA-N 1 2 344.440 2.335 20 30 EEEDLO CCC[C@H](C)NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354524 463559585 /nfs/dbraw/zinc/55/95/85/463559585.db2.gz YZGUAMRWLVDODW-DLBZAZTESA-N 1 2 342.487 2.369 20 30 EEEDLO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000042354524 463559586 /nfs/dbraw/zinc/55/95/86/463559586.db2.gz YZGUAMRWLVDODW-DLBZAZTESA-N 1 2 342.487 2.369 20 30 EEEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3ccnn3C)CC2)c(C#N)c1C ZINC000058292602 463570840 /nfs/dbraw/zinc/57/08/40/463570840.db2.gz KHLITGWLSQNCBV-UHFFFAOYSA-N 1 2 341.415 2.320 20 30 EEEDLO Cc1ccc(N2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1C ZINC000125771860 463576255 /nfs/dbraw/zinc/57/62/55/463576255.db2.gz OHGHARQHEZLQRE-FQEVSTJZSA-N 1 2 340.471 2.234 20 30 EEEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)c(C#N)c1C ZINC000058394070 463591214 /nfs/dbraw/zinc/59/12/14/463591214.db2.gz HHDXXBYPQOFZPW-UHFFFAOYSA-N 1 2 327.388 2.309 20 30 EEEDLO C#C[C@H](C)N(C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000491813577 468364160 /nfs/dbraw/zinc/36/41/60/468364160.db2.gz BALFKYAORUHSBV-WMZOPIPTSA-N 1 2 329.444 2.031 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184886613 463712668 /nfs/dbraw/zinc/71/26/68/463712668.db2.gz CNHHLUDRMIHGOE-STQMWFEESA-N 1 2 342.399 2.393 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000184906817 463716622 /nfs/dbraw/zinc/71/66/22/463716622.db2.gz USKYAOAXCOHHSL-UHFFFAOYSA-N 1 2 348.443 2.101 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000184906817 463716627 /nfs/dbraw/zinc/71/66/27/463716627.db2.gz USKYAOAXCOHHSL-UHFFFAOYSA-N 1 2 348.443 2.101 20 30 EEEDLO C=CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000255677207 463742618 /nfs/dbraw/zinc/74/26/18/463742618.db2.gz PUOLOYOJSFHJAB-ZQMJAJRESA-N 1 2 336.413 2.283 20 30 EEEDLO C=CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000255677207 463742625 /nfs/dbraw/zinc/74/26/25/463742625.db2.gz PUOLOYOJSFHJAB-ZQMJAJRESA-N 1 2 336.413 2.283 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)/C=C\c2ccc(OCC#N)cc2)C1 ZINC000492281155 468376498 /nfs/dbraw/zinc/37/64/98/468376498.db2.gz BQVRHDGXTGOKPA-OUOZUETKSA-N 1 2 336.395 2.352 20 30 EEEDLO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)Nc2cc(C)[nH+]cc2C#N)s1 ZINC000568742934 468380642 /nfs/dbraw/zinc/38/06/42/468380642.db2.gz YHDROXMLIYVDBO-QWRGUYRKSA-N 1 2 344.444 2.173 20 30 EEEDLO Cc1cccc([C@H](CNC(=O)NCCCCC#N)[NH+]2CCOCC2)c1 ZINC000171735127 463916328 /nfs/dbraw/zinc/91/63/28/463916328.db2.gz VQIUMRVJAHSZIN-SFHVURJKSA-N 1 2 344.459 2.361 20 30 EEEDLO COc1cccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)n1 ZINC000329776153 465432272 /nfs/dbraw/zinc/43/22/72/465432272.db2.gz JSZDPNIIDZBWST-UHFFFAOYSA-N 1 2 329.429 2.049 20 30 EEEDLO N#CCOc1ccc(CNC(=O)C2CC[NH+](CC(F)F)CC2)cc1 ZINC000287618884 463947534 /nfs/dbraw/zinc/94/75/34/463947534.db2.gz IGPQERZRXMKFNZ-UHFFFAOYSA-N 1 2 337.370 2.182 20 30 EEEDLO Cn1c2ccc(CNS(=O)(=O)CCCC#N)cc2[nH+]c1C1CC1 ZINC000283637352 463955433 /nfs/dbraw/zinc/95/54/33/463955433.db2.gz XEWUCTOROCSUBQ-UHFFFAOYSA-N 1 2 332.429 2.174 20 30 EEEDLO C=C(C)[C@@H](NC(=O)NCC[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000187219080 464107807 /nfs/dbraw/zinc/10/78/07/464107807.db2.gz ZLTLYVLQAZWLKG-MRXNPFEDSA-N 1 2 339.386 2.213 20 30 EEEDLO CC(C)Cc1noc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292191682 464168585 /nfs/dbraw/zinc/16/85/85/464168585.db2.gz NFBAZUNUHNQAOS-CQSZACIVSA-N 1 2 327.388 2.188 20 30 EEEDLO CC(C)Cc1noc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292191682 464168591 /nfs/dbraw/zinc/16/85/91/464168591.db2.gz NFBAZUNUHNQAOS-CQSZACIVSA-N 1 2 327.388 2.188 20 30 EEEDLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000284462880 464201264 /nfs/dbraw/zinc/20/12/64/464201264.db2.gz QVSDNUOYVBUXGY-ZENOOKHLSA-N 1 2 333.432 2.283 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1O ZINC000188214166 464225397 /nfs/dbraw/zinc/22/53/97/464225397.db2.gz PWANPNYIBPIDFM-HNNXBMFYSA-N 1 2 325.368 2.424 20 30 EEEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000292984973 464380089 /nfs/dbraw/zinc/38/00/89/464380089.db2.gz BPWXWMDVKGANIT-OAHLLOKOSA-N 1 2 329.444 2.451 20 30 EEEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000292984973 464380096 /nfs/dbraw/zinc/38/00/96/464380096.db2.gz BPWXWMDVKGANIT-OAHLLOKOSA-N 1 2 329.444 2.451 20 30 EEEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCSC[C@@H]3C#N)cn2c1 ZINC000271814678 464388437 /nfs/dbraw/zinc/38/84/37/464388437.db2.gz YXQKKXVOQGYJND-AWEZNQCLSA-N 1 2 346.481 2.344 20 30 EEEDLO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2nc(-c3cccc(OC)c3)no2)C1=O ZINC000281305191 464408238 /nfs/dbraw/zinc/40/82/38/464408238.db2.gz UGTCIDWTODOXJC-SWLSCSKDSA-N 1 2 342.399 2.183 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccccc2Cl)C1=O ZINC000281332796 464417066 /nfs/dbraw/zinc/41/70/66/464417066.db2.gz LXCDSWIBRXGMPD-BBRMVZONSA-N 1 2 349.862 2.236 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccccc2Cl)C1=O ZINC000281332796 464417072 /nfs/dbraw/zinc/41/70/72/464417072.db2.gz LXCDSWIBRXGMPD-BBRMVZONSA-N 1 2 349.862 2.236 20 30 EEEDLO C=CCN(C(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000285068023 464443975 /nfs/dbraw/zinc/44/39/75/464443975.db2.gz WVIDQAFBOXWCTM-CRAIPNDOSA-N 1 2 342.443 2.039 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C1=O ZINC000281458122 464461992 /nfs/dbraw/zinc/46/19/92/464461992.db2.gz VCNRFQFYBAFXDI-WMZOPIPTSA-N 1 2 343.471 2.199 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C1=O ZINC000281458122 464461993 /nfs/dbraw/zinc/46/19/93/464461993.db2.gz VCNRFQFYBAFXDI-WMZOPIPTSA-N 1 2 343.471 2.199 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246421110 464582026 /nfs/dbraw/zinc/58/20/26/464582026.db2.gz JUPUGJQAPOTGMT-APWZRJJASA-N 1 2 329.444 2.242 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246421110 464582028 /nfs/dbraw/zinc/58/20/28/464582028.db2.gz JUPUGJQAPOTGMT-APWZRJJASA-N 1 2 329.444 2.242 20 30 EEEDLO Cc1cccc2[nH+]c(CN3CCN(c4nccnc4C#N)C[C@H]3C)cn21 ZINC000247470328 464682830 /nfs/dbraw/zinc/68/28/30/464682830.db2.gz VEWFQLHYMRVVMS-OAHLLOKOSA-N 1 2 347.426 2.015 20 30 EEEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3nc4ccccc4s3)CC2)C1=O ZINC000282063358 464686140 /nfs/dbraw/zinc/68/61/40/464686140.db2.gz SGMOKAGTEKJZAD-OAHLLOKOSA-N 1 2 342.468 2.205 20 30 EEEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@@H](C)c3ccc(F)cc3F)CC2)C1=O ZINC000282101252 464698022 /nfs/dbraw/zinc/69/80/22/464698022.db2.gz WAYHSOPHFRPLMT-KBXCAEBGSA-N 1 2 349.425 2.430 20 30 EEEDLO NC(=[NH+]OCCC1OCCO1)c1ccc(OCc2cccnc2)cc1 ZINC000274360757 464743332 /nfs/dbraw/zinc/74/33/32/464743332.db2.gz WHEDCJLVDHCDNR-UHFFFAOYSA-N 1 2 343.383 2.061 20 30 EEEDLO C[C@@H](O)[C@H]1CCN(c2cc(NCC3CCC(C#N)CC3)[nH+]cn2)C1 ZINC000591160142 468417672 /nfs/dbraw/zinc/41/76/72/468417672.db2.gz VTWCKVSHKOOABG-LMPOIIKSSA-N 1 2 329.448 2.426 20 30 EEEDLO C[C@@H](O)[C@H]1CCN(c2cc(NCC3CCC(C#N)CC3)nc[nH+]2)C1 ZINC000591160142 468417679 /nfs/dbraw/zinc/41/76/79/468417679.db2.gz VTWCKVSHKOOABG-LMPOIIKSSA-N 1 2 329.448 2.426 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000275661642 464783390 /nfs/dbraw/zinc/78/33/90/464783390.db2.gz OXVKZISWPBJAQG-QWHCGFSZSA-N 1 2 333.461 2.131 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2Cc2ccc(C#N)cc2F)O1 ZINC000282365978 464790051 /nfs/dbraw/zinc/79/00/51/464790051.db2.gz DQPBHIKYNWYVJY-QYHDQYMBSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2Cc2ccc(C#N)cc2F)O1 ZINC000282365978 464790054 /nfs/dbraw/zinc/79/00/54/464790054.db2.gz DQPBHIKYNWYVJY-QYHDQYMBSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2Cc2ccc(C#N)cc2F)O1 ZINC000282365967 464790319 /nfs/dbraw/zinc/79/03/19/464790319.db2.gz DQPBHIKYNWYVJY-AHBIMHKDSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2Cc2ccc(C#N)cc2F)O1 ZINC000282365967 464790324 /nfs/dbraw/zinc/79/03/24/464790324.db2.gz DQPBHIKYNWYVJY-AHBIMHKDSA-N 1 2 332.375 2.381 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000248900722 464818032 /nfs/dbraw/zinc/81/80/32/464818032.db2.gz ACSIUPJGOWEZQE-NWDGAFQWSA-N 1 2 337.370 2.154 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000248900722 464818036 /nfs/dbraw/zinc/81/80/36/464818036.db2.gz ACSIUPJGOWEZQE-NWDGAFQWSA-N 1 2 337.370 2.154 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000249039747 464832115 /nfs/dbraw/zinc/83/21/15/464832115.db2.gz GNRHWBPSSNVMHL-OAHLLOKOSA-N 1 2 332.423 2.098 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000249039747 464832121 /nfs/dbraw/zinc/83/21/21/464832121.db2.gz GNRHWBPSSNVMHL-OAHLLOKOSA-N 1 2 332.423 2.098 20 30 EEEDLO COc1cc(C#N)ccc1OCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000192601662 464954721 /nfs/dbraw/zinc/95/47/21/464954721.db2.gz YGEZZOWFUPHEJF-UHFFFAOYSA-N 1 2 326.356 2.045 20 30 EEEDLO COC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(C)o1 ZINC000184696929 465019125 /nfs/dbraw/zinc/01/91/25/465019125.db2.gz ONBYIIGNWUHQRJ-MRXNPFEDSA-N 1 2 348.424 2.211 20 30 EEEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@H]1C1CCOCC1 ZINC000329408456 465325121 /nfs/dbraw/zinc/32/51/21/465325121.db2.gz BKYGXQGFTIMQFV-SJORKVTESA-N 1 2 344.459 2.465 20 30 EEEDLO CC(C)Oc1cc(F)ccc1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329434401 465331808 /nfs/dbraw/zinc/33/18/08/465331808.db2.gz LCVGPWFREUORQN-HOCLYGCPSA-N 1 2 337.395 2.173 20 30 EEEDLO CC(C)Oc1cc(F)ccc1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329434401 465331815 /nfs/dbraw/zinc/33/18/15/465331815.db2.gz LCVGPWFREUORQN-HOCLYGCPSA-N 1 2 337.395 2.173 20 30 EEEDLO Cc1cc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nc(C2CC2)[nH+]1 ZINC000329482444 465348294 /nfs/dbraw/zinc/34/82/94/465348294.db2.gz PXBDUHNXLMPKFI-CYBMUJFWSA-N 1 2 329.448 2.292 20 30 EEEDLO CN(C)c1ncc(C[N@H+](C)CC(=O)NC(=O)NC2CCCCC2)cn1 ZINC000329524486 465361298 /nfs/dbraw/zinc/36/12/98/465361298.db2.gz SFUADBZYOOLNAI-UHFFFAOYSA-N 1 2 348.451 2.178 20 30 EEEDLO CN(C)c1ncc(C[N@@H+](C)CC(=O)NC(=O)NC2CCCCC2)cn1 ZINC000329524486 465361301 /nfs/dbraw/zinc/36/13/01/465361301.db2.gz SFUADBZYOOLNAI-UHFFFAOYSA-N 1 2 348.451 2.178 20 30 EEEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000329652351 465398392 /nfs/dbraw/zinc/39/83/92/465398392.db2.gz DHFXYDDZICMIMB-SUMWQHHRSA-N 1 2 346.431 2.287 20 30 EEEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000329652351 465398393 /nfs/dbraw/zinc/39/83/93/465398393.db2.gz DHFXYDDZICMIMB-SUMWQHHRSA-N 1 2 346.431 2.287 20 30 EEEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000356472722 465405697 /nfs/dbraw/zinc/40/56/97/465405697.db2.gz IOBUXFARIVYCDG-INIZCTEOSA-N 1 2 343.818 2.272 20 30 EEEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@H]1CCOC2(CCC2)C1 ZINC000330214271 465571841 /nfs/dbraw/zinc/57/18/41/465571841.db2.gz LNGZXSSIUXODOY-AWEZNQCLSA-N 1 2 332.448 2.367 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000371086075 465589476 /nfs/dbraw/zinc/58/94/76/465589476.db2.gz IHFIXDLJWOUEPQ-KRWDZBQOSA-N 1 2 341.436 2.332 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000371086075 465589484 /nfs/dbraw/zinc/58/94/84/465589484.db2.gz IHFIXDLJWOUEPQ-KRWDZBQOSA-N 1 2 341.436 2.332 20 30 EEEDLO N#CC1(F)CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000344366189 465607620 /nfs/dbraw/zinc/60/76/20/465607620.db2.gz YZWMLPGPTMQPEK-UHFFFAOYSA-N 1 2 331.395 2.088 20 30 EEEDLO COC(=O)C1([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CCC(C)CC1 ZINC000356992025 465682408 /nfs/dbraw/zinc/68/24/08/465682408.db2.gz VOLUAIQJSNUHIU-RCDNUKIMSA-N 1 2 346.427 2.009 20 30 EEEDLO C=CCNc1ncc(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)s1 ZINC000371371892 465748431 /nfs/dbraw/zinc/74/84/31/465748431.db2.gz DRHLQKRYRFDWFT-CQSZACIVSA-N 1 2 328.441 2.658 20 30 EEEDLO C=CCNc1ncc(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)s1 ZINC000371371892 465748433 /nfs/dbraw/zinc/74/84/33/465748433.db2.gz DRHLQKRYRFDWFT-CQSZACIVSA-N 1 2 328.441 2.658 20 30 EEEDLO C=CCCCCNC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000340127387 465791589 /nfs/dbraw/zinc/79/15/89/465791589.db2.gz BFSIWVCNUFWDNM-UHFFFAOYSA-N 1 2 340.427 2.020 20 30 EEEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000331021176 465900779 /nfs/dbraw/zinc/90/07/79/465900779.db2.gz RUEHMZPXBXZTEP-LIRRHRJNSA-N 1 2 345.443 2.395 20 30 EEEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000331021176 465900790 /nfs/dbraw/zinc/90/07/90/465900790.db2.gz RUEHMZPXBXZTEP-LIRRHRJNSA-N 1 2 345.443 2.395 20 30 EEEDLO CC[C@H](CSC)NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000331033703 465906894 /nfs/dbraw/zinc/90/68/94/465906894.db2.gz JWJQAFACPIDDFK-OLZOCXBDSA-N 1 2 325.482 2.144 20 30 EEEDLO CC(C)C[C@@H](CNc1nccc(C#N)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000301639545 466000424 /nfs/dbraw/zinc/00/04/24/466000424.db2.gz LSEVZUIATVDREA-AWEZNQCLSA-N 1 2 333.392 2.020 20 30 EEEDLO Cc1onc(CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1C#N ZINC000353882112 466228290 /nfs/dbraw/zinc/22/82/90/466228290.db2.gz PYBXIIHWOISGKZ-UHFFFAOYSA-N 1 2 345.428 2.478 20 30 EEEDLO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)C[C@@H](C)O1 ZINC000363173440 466261434 /nfs/dbraw/zinc/26/14/34/466261434.db2.gz DSRNUOJHUMCIGK-PSBWJHGTSA-N 1 2 341.455 2.394 20 30 EEEDLO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)C[C@@H](C)O1 ZINC000363173440 466261442 /nfs/dbraw/zinc/26/14/42/466261442.db2.gz DSRNUOJHUMCIGK-PSBWJHGTSA-N 1 2 341.455 2.394 20 30 EEEDLO Cc1cccc2ncc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)n21 ZINC000349862754 466279482 /nfs/dbraw/zinc/27/94/82/466279482.db2.gz YNWLZYLYLBHXBX-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO O=C(NCC#Cc1ccccc1)NCCNc1ccc2ccccc2[nH+]1 ZINC000338937615 466501235 /nfs/dbraw/zinc/50/12/35/466501235.db2.gz VTPOZURXEFAIIB-UHFFFAOYSA-N 1 2 344.418 2.998 20 30 EEEDLO N#Cc1ccc(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)nc1 ZINC000569469174 468496148 /nfs/dbraw/zinc/49/61/48/468496148.db2.gz ODWUVKHDANMKCQ-UHFFFAOYSA-N 1 2 347.422 2.193 20 30 EEEDLO N#Cc1ccc(C[N@@H+](CCO)Cc2cnn(Cc3ccccc3)c2)nc1 ZINC000569469174 468496153 /nfs/dbraw/zinc/49/61/53/468496153.db2.gz ODWUVKHDANMKCQ-UHFFFAOYSA-N 1 2 347.422 2.193 20 30 EEEDLO C#CCC1(C(=O)N2CCC[N@@H+](CC(=O)NC(C)C)CC2)CCCCC1 ZINC000364413389 466698420 /nfs/dbraw/zinc/69/84/20/466698420.db2.gz DEONPMPHMTVYEV-UHFFFAOYSA-N 1 2 347.503 2.019 20 30 EEEDLO C#CCC1(C(=O)N2CCC[N@H+](CC(=O)NC(C)C)CC2)CCCCC1 ZINC000364413389 466698425 /nfs/dbraw/zinc/69/84/25/466698425.db2.gz DEONPMPHMTVYEV-UHFFFAOYSA-N 1 2 347.503 2.019 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1C ZINC000368949962 466706640 /nfs/dbraw/zinc/70/66/40/466706640.db2.gz KVAHXONJGVLMDL-DAYGRLMNSA-N 1 2 329.444 2.059 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1C ZINC000368949962 466706642 /nfs/dbraw/zinc/70/66/42/466706642.db2.gz KVAHXONJGVLMDL-DAYGRLMNSA-N 1 2 329.444 2.059 20 30 EEEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1ccccc1C#N ZINC000365163363 466734196 /nfs/dbraw/zinc/73/41/96/466734196.db2.gz OXOMSGQYRQCPSP-LJQANCHMSA-N 1 2 345.406 2.188 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)cc1F ZINC000365271284 466763161 /nfs/dbraw/zinc/76/31/61/466763161.db2.gz UNBWJWVNCSLTJH-MRXNPFEDSA-N 1 2 333.432 2.237 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)cc1F ZINC000365271284 466763166 /nfs/dbraw/zinc/76/31/66/466763166.db2.gz UNBWJWVNCSLTJH-MRXNPFEDSA-N 1 2 333.432 2.237 20 30 EEEDLO Cc1cc(N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)c(C#N)c[nH+]1 ZINC000425271994 467091245 /nfs/dbraw/zinc/09/12/45/467091245.db2.gz WDDUSQGVGXPHRT-ZACQAIPSSA-N 1 2 325.416 2.489 20 30 EEEDLO C=CC[C@H](C)[C@H](C)[NH2+]C1CN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000428079002 467201391 /nfs/dbraw/zinc/20/13/91/467201391.db2.gz OMIFBXGDYZFSCW-KBPBESRZSA-N 1 2 338.473 2.258 20 30 EEEDLO Cc1cc(N(CC[NH+]2CCOCC2)Cc2ccco2)cc(C#N)n1 ZINC000450945978 467212230 /nfs/dbraw/zinc/21/22/30/467212230.db2.gz XPFSEHSBPBFTCH-UHFFFAOYSA-N 1 2 326.400 2.194 20 30 EEEDLO N#C[C@@H](CCc1ccccc1)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000433176643 467301633 /nfs/dbraw/zinc/30/16/33/467301633.db2.gz OTFQSKNFSAPBQV-HXUWFJFHSA-N 1 2 348.450 2.498 20 30 EEEDLO Cc1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1Br ZINC000414153284 467384541 /nfs/dbraw/zinc/38/45/41/467384541.db2.gz ZBTKMAADNOWQQF-GFCCVEGCSA-N 1 2 327.222 2.343 20 30 EEEDLO Cc1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1Br ZINC000414153284 467384543 /nfs/dbraw/zinc/38/45/43/467384543.db2.gz ZBTKMAADNOWQQF-GFCCVEGCSA-N 1 2 327.222 2.343 20 30 EEEDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)CC1(C#N)CCCC1 ZINC000431628886 467529479 /nfs/dbraw/zinc/52/94/79/467529479.db2.gz AYPTYYSTJBYWAS-UHFFFAOYSA-N 1 2 336.461 2.065 20 30 EEEDLO C=C(C)CCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000455322067 467664576 /nfs/dbraw/zinc/66/45/76/467664576.db2.gz JQOSLHXNJFRZJG-MSOLQXFVSA-N 1 2 329.444 2.247 20 30 EEEDLO C=C(C)CCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000455322067 467664578 /nfs/dbraw/zinc/66/45/78/467664578.db2.gz JQOSLHXNJFRZJG-MSOLQXFVSA-N 1 2 329.444 2.247 20 30 EEEDLO C[C@H](C#N)OCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@](C)(F)C1 ZINC000496819672 467718239 /nfs/dbraw/zinc/71/82/39/467718239.db2.gz MYYVHJADDWOBIS-CJNGLKHVSA-N 1 2 329.416 2.196 20 30 EEEDLO C[C@H](C#N)OCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@](C)(F)C1 ZINC000496819672 467718242 /nfs/dbraw/zinc/71/82/42/467718242.db2.gz MYYVHJADDWOBIS-CJNGLKHVSA-N 1 2 329.416 2.196 20 30 EEEDLO CC#CCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000458605556 467866447 /nfs/dbraw/zinc/86/64/47/467866447.db2.gz JGHNOFNHAZFZSP-SJORKVTESA-N 1 2 349.862 2.376 20 30 EEEDLO CC#CCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000458605556 467866450 /nfs/dbraw/zinc/86/64/50/467866450.db2.gz JGHNOFNHAZFZSP-SJORKVTESA-N 1 2 349.862 2.376 20 30 EEEDLO CN(C[C@@H]1CC[N@H+](Cc2ncc(C#N)cn2)C1)C(=O)OC(C)(C)C ZINC000497261104 467910508 /nfs/dbraw/zinc/91/05/08/467910508.db2.gz LPDOMBRYIALIDY-ZDUSSCGKSA-N 1 2 331.420 2.037 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+](Cc2ncc(C#N)cn2)C1)C(=O)OC(C)(C)C ZINC000497261104 467910512 /nfs/dbraw/zinc/91/05/12/467910512.db2.gz LPDOMBRYIALIDY-ZDUSSCGKSA-N 1 2 331.420 2.037 20 30 EEEDLO COC(=O)[C@H]([N@H+](C)CCOCc1ccc(C#N)cc1)C1(OC)CCC1 ZINC000459544094 467960603 /nfs/dbraw/zinc/96/06/03/467960603.db2.gz ZPRXYCWIVRXBEP-KRWDZBQOSA-N 1 2 346.427 2.117 20 30 EEEDLO COC(=O)[C@H]([N@@H+](C)CCOCc1ccc(C#N)cc1)C1(OC)CCC1 ZINC000459544094 467960607 /nfs/dbraw/zinc/96/06/07/467960607.db2.gz ZPRXYCWIVRXBEP-KRWDZBQOSA-N 1 2 346.427 2.117 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000488585632 468093109 /nfs/dbraw/zinc/09/31/09/468093109.db2.gz WYOYMNRVGCGDTO-UHFFFAOYSA-N 1 2 349.438 2.280 20 30 EEEDLO CC(C)COC(=O)N1CCC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)CC1 ZINC000495884435 468106306 /nfs/dbraw/zinc/10/63/06/468106306.db2.gz HXLLXUFJFSJXCM-HUUCEWRRSA-N 1 2 335.452 2.091 20 30 EEEDLO C[C@@H](CCC#N)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496255887 468126601 /nfs/dbraw/zinc/12/66/01/468126601.db2.gz RJLHKFLEMWTXOP-HOTGVXAUSA-N 1 2 336.480 2.306 20 30 EEEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000489439743 468136291 /nfs/dbraw/zinc/13/62/91/468136291.db2.gz RRTZZGYJVHQWKW-NSHDSACASA-N 1 2 333.344 2.303 20 30 EEEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000489439743 468136295 /nfs/dbraw/zinc/13/62/95/468136295.db2.gz RRTZZGYJVHQWKW-NSHDSACASA-N 1 2 333.344 2.303 20 30 EEEDLO C[C@H](CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)n1cc[nH+]c1 ZINC000565777517 468137332 /nfs/dbraw/zinc/13/73/32/468137332.db2.gz LCDXFAMWTLCHHR-SJLPKXTDSA-N 1 2 337.427 2.071 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ccccc1Br ZINC000567995507 468252651 /nfs/dbraw/zinc/25/26/51/468252651.db2.gz MQCCKGJOFGAAAU-HNNXBMFYSA-N 1 2 338.249 2.342 20 30 EEEDLO CCN1CCN(c2cccc(-n3cccn3)c2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000582312042 468522008 /nfs/dbraw/zinc/52/20/08/468522008.db2.gz HOBXTTVNNMFXCP-GOSISDBHSA-N 1 2 347.426 2.350 20 30 EEEDLO CN(C)[C@@H](C(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1c[nH+]cn1C ZINC000557079660 468610964 /nfs/dbraw/zinc/61/09/64/468610964.db2.gz ANSHGBZWPANAQZ-FUHWJXTLSA-N 1 2 337.427 2.088 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592146789 468636522 /nfs/dbraw/zinc/63/65/22/468636522.db2.gz KLMCAHJPMORYJQ-IAQYHMDHSA-N 1 2 341.333 2.383 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592146789 468636524 /nfs/dbraw/zinc/63/65/24/468636524.db2.gz KLMCAHJPMORYJQ-IAQYHMDHSA-N 1 2 341.333 2.383 20 30 EEEDLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccc2c(c1)CCCC2 ZINC000592145940 468636587 /nfs/dbraw/zinc/63/65/87/468636587.db2.gz BUNRBCPRQIXCIF-QRWLVFNGSA-N 1 2 341.455 2.093 20 30 EEEDLO C[C@@H](NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccc2c(c1)CCCC2 ZINC000592145940 468636592 /nfs/dbraw/zinc/63/65/92/468636592.db2.gz BUNRBCPRQIXCIF-QRWLVFNGSA-N 1 2 341.455 2.093 20 30 EEEDLO CC[C@@H](NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccc(Cl)cc1 ZINC000592146075 468636959 /nfs/dbraw/zinc/63/69/59/468636959.db2.gz COGFEJRJMNKDHZ-NVXWUHKLSA-N 1 2 335.835 2.258 20 30 EEEDLO CC[C@@H](NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccc(Cl)cc1 ZINC000592146075 468636964 /nfs/dbraw/zinc/63/69/64/468636964.db2.gz COGFEJRJMNKDHZ-NVXWUHKLSA-N 1 2 335.835 2.258 20 30 EEEDLO Cc1noc(C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)n1 ZINC000594616460 468638129 /nfs/dbraw/zinc/63/81/29/468638129.db2.gz UUHVJNXNHJSWAE-UHFFFAOYSA-N 1 2 337.387 2.182 20 30 EEEDLO Cc1noc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)n1 ZINC000594616460 468638134 /nfs/dbraw/zinc/63/81/34/468638134.db2.gz UUHVJNXNHJSWAE-UHFFFAOYSA-N 1 2 337.387 2.182 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149658 468639689 /nfs/dbraw/zinc/63/96/89/468639689.db2.gz SZXMMOBZAHVNSV-RHSMWYFYSA-N 1 2 333.457 2.002 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149658 468639692 /nfs/dbraw/zinc/63/96/92/468639692.db2.gz SZXMMOBZAHVNSV-RHSMWYFYSA-N 1 2 333.457 2.002 20 30 EEEDLO N#Cc1ccc(OCC(=O)NCc2ccc[nH+]c2N2CCCC2)cc1 ZINC000597942393 468719488 /nfs/dbraw/zinc/71/94/88/468719488.db2.gz XHOMSGAKBJEPPP-UHFFFAOYSA-N 1 2 336.395 2.249 20 30 EEEDLO Cc1c(Br)ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1F ZINC000583634061 468732082 /nfs/dbraw/zinc/73/20/82/468732082.db2.gz HUPNKILIQCUYJY-AWEZNQCLSA-N 1 2 342.212 2.470 20 30 EEEDLO COc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1Br ZINC000571330268 468773218 /nfs/dbraw/zinc/77/32/18/468773218.db2.gz HBHHATSMMHSCAK-AWEZNQCLSA-N 1 2 340.221 2.031 20 30 EEEDLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595616153 468924484 /nfs/dbraw/zinc/92/44/84/468924484.db2.gz QONSMIAVIQRZLU-MRXNPFEDSA-N 1 2 342.443 2.018 20 30 EEEDLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595616153 468924489 /nfs/dbraw/zinc/92/44/89/468924489.db2.gz QONSMIAVIQRZLU-MRXNPFEDSA-N 1 2 342.443 2.018 20 30 EEEDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)o1 ZINC000562379667 468947243 /nfs/dbraw/zinc/94/72/43/468947243.db2.gz SIKYQFPYANDRKU-UHFFFAOYSA-N 1 2 340.383 2.045 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000562594368 469000158 /nfs/dbraw/zinc/00/01/58/469000158.db2.gz BXGQCKMWSCPCAI-CVEARBPZSA-N 1 2 346.431 2.082 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000572846283 469007285 /nfs/dbraw/zinc/00/72/85/469007285.db2.gz UYYNEJNUFYJVHR-KRWDZBQOSA-N 1 2 346.431 2.447 20 30 EEEDLO CO[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCO1 ZINC000602900536 469153151 /nfs/dbraw/zinc/15/31/51/469153151.db2.gz ZEAGMLMSLSWEOV-MRXNPFEDSA-N 1 2 349.456 2.132 20 30 EEEDLO CO[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCO1 ZINC000602900536 469153158 /nfs/dbraw/zinc/15/31/58/469153158.db2.gz ZEAGMLMSLSWEOV-MRXNPFEDSA-N 1 2 349.456 2.132 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000573910855 469229026 /nfs/dbraw/zinc/22/90/26/469229026.db2.gz VAFQKLZGZIWCKG-QRVBRYPASA-N 1 2 344.455 2.076 20 30 EEEDLO COC(=O)[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)C1CCCCC1 ZINC000599370793 469232978 /nfs/dbraw/zinc/23/29/78/469232978.db2.gz KTRAGGAAPYDRBZ-WMZOPIPTSA-N 1 2 346.427 2.009 20 30 EEEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H](C)CO1 ZINC000596453757 469270928 /nfs/dbraw/zinc/27/09/28/469270928.db2.gz NDCKXVQYJRWQLN-UONOGXRCSA-N 1 2 347.463 2.345 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H](C)CO1 ZINC000596453757 469270932 /nfs/dbraw/zinc/27/09/32/469270932.db2.gz NDCKXVQYJRWQLN-UONOGXRCSA-N 1 2 347.463 2.345 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@@](F)(C#N)C1)c1ccccc1F ZINC000615577785 469272385 /nfs/dbraw/zinc/27/23/85/469272385.db2.gz NDJQEIZUNMDQLW-RHSMWYFYSA-N 1 2 345.353 2.296 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CC1(CC#N)CC1)c1ccccc1 ZINC000574758580 469279914 /nfs/dbraw/zinc/27/99/14/469279914.db2.gz ITTXLWQAKANEGX-HNNXBMFYSA-N 1 2 344.440 2.123 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC[C@H]2CNC(C)=O)c1C ZINC000626154951 469520669 /nfs/dbraw/zinc/52/06/69/469520669.db2.gz BEUBJUVZQVXPIQ-KRWDZBQOSA-N 1 2 331.460 2.464 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCC[C@H]2CNC(C)=O)c1C ZINC000626154951 469520672 /nfs/dbraw/zinc/52/06/72/469520672.db2.gz BEUBJUVZQVXPIQ-KRWDZBQOSA-N 1 2 331.460 2.464 20 30 EEEDLO COc1cc(C[NH+]2CCN(C(=O)N3CCCCC3)CC2)ccc1C#N ZINC000619674201 469661779 /nfs/dbraw/zinc/66/17/79/469661779.db2.gz RLTGPYFUWMIQEX-UHFFFAOYSA-N 1 2 342.443 2.290 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000619716441 469668511 /nfs/dbraw/zinc/66/85/11/469668511.db2.gz FSTQALCDCISHDS-CYBMUJFWSA-N 1 2 328.206 2.487 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000619716441 469668516 /nfs/dbraw/zinc/66/85/16/469668516.db2.gz FSTQALCDCISHDS-CYBMUJFWSA-N 1 2 328.206 2.487 20 30 EEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000619719040 469669498 /nfs/dbraw/zinc/66/94/98/469669498.db2.gz OZHRSLVCWIJNKQ-ZDUSSCGKSA-N 1 2 337.807 2.113 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000619719064 469669924 /nfs/dbraw/zinc/66/99/24/469669924.db2.gz QSYBUNKXVSITGC-YPMHNXCESA-N 1 2 337.807 2.113 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000619719064 469669929 /nfs/dbraw/zinc/66/99/29/469669929.db2.gz QSYBUNKXVSITGC-YPMHNXCESA-N 1 2 337.807 2.113 20 30 EEEDLO COc1cccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)c1F ZINC000619726273 469670522 /nfs/dbraw/zinc/67/05/22/469670522.db2.gz KNDKXQXUEJBNHU-UHFFFAOYSA-N 1 2 343.406 2.070 20 30 EEEDLO C[C@@H](NC(=O)c1cc2ccccc2n1CC#N)[C@H](C)[NH+]1CCOCC1 ZINC000609191898 469900262 /nfs/dbraw/zinc/90/02/62/469900262.db2.gz MKXPPLJFKRNTJK-CABCVRRESA-N 1 2 340.427 2.004 20 30 EEEDLO CC[N@H+](CCCNC(=O)NC1CCN(CC#N)CC1)c1ccccc1 ZINC000609336750 469919844 /nfs/dbraw/zinc/91/98/44/469919844.db2.gz NJACPMNSDFDETC-UHFFFAOYSA-N 1 2 343.475 2.190 20 30 EEEDLO CC[N@@H+](CCCNC(=O)NC1CCN(CC#N)CC1)c1ccccc1 ZINC000609336750 469919846 /nfs/dbraw/zinc/91/98/46/469919846.db2.gz NJACPMNSDFDETC-UHFFFAOYSA-N 1 2 343.475 2.190 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000609484659 469932183 /nfs/dbraw/zinc/93/21/83/469932183.db2.gz FDEYPDWNTYWLDW-TVFCKZIOSA-N 1 2 334.508 2.236 20 30 EEEDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609485711 469933212 /nfs/dbraw/zinc/93/32/12/469933212.db2.gz VQBFHWPKIAGLDQ-RCCFBDPRSA-N 1 2 334.508 2.332 20 30 EEEDLO N#C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccccc1Br ZINC000609590661 469945453 /nfs/dbraw/zinc/94/54/53/469945453.db2.gz KYCILHHEJLQELU-CYBMUJFWSA-N 1 2 333.189 2.417 20 30 EEEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000621270217 470022278 /nfs/dbraw/zinc/02/22/78/470022278.db2.gz TUEPJTUJORIQTJ-SJORKVTESA-N 1 2 330.428 2.261 20 30 EEEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000621270217 470022279 /nfs/dbraw/zinc/02/22/79/470022279.db2.gz TUEPJTUJORIQTJ-SJORKVTESA-N 1 2 330.428 2.261 20 30 EEEDLO C=CCn1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)nn1 ZINC000648746100 470332863 /nfs/dbraw/zinc/33/28/63/470332863.db2.gz JEKPGGZECNAEQY-GFCCVEGCSA-N 1 2 346.460 2.405 20 30 EEEDLO C=CCn1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)nn1 ZINC000648746100 470332864 /nfs/dbraw/zinc/33/28/64/470332864.db2.gz JEKPGGZECNAEQY-GFCCVEGCSA-N 1 2 346.460 2.405 20 30 EEEDLO C=CCCn1cc(C(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)nn1 ZINC000644716162 471018531 /nfs/dbraw/zinc/01/85/31/471018531.db2.gz WNZLVATYFXOPRI-HNNXBMFYSA-N 1 2 345.834 2.294 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2cccc3ncccc32)nn1 ZINC000640914883 471116974 /nfs/dbraw/zinc/11/69/74/471116974.db2.gz REZUXWIEUMJYLS-CQSZACIVSA-N 1 2 348.410 2.139 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)C(C)(C)C(=C)C)CC[N@H+]1C ZINC000652497889 471300672 /nfs/dbraw/zinc/30/06/72/471300672.db2.gz PKLABNUYWXDAQM-MRXNPFEDSA-N 1 2 349.519 2.450 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)C(C)(C)C(=C)C)CC[N@@H+]1C ZINC000652497889 471300675 /nfs/dbraw/zinc/30/06/75/471300675.db2.gz PKLABNUYWXDAQM-MRXNPFEDSA-N 1 2 349.519 2.450 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000662163037 472016275 /nfs/dbraw/zinc/01/62/75/472016275.db2.gz UICUTTOGWRNOJM-BLLLJJGKSA-N 1 2 326.387 2.401 20 30 EEEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000672218220 486076579 /nfs/dbraw/zinc/07/65/79/486076579.db2.gz SWWNHDVCVBUASZ-CQSZACIVSA-N 1 2 329.400 2.136 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000672782246 486192850 /nfs/dbraw/zinc/19/28/50/486192850.db2.gz JMEGLKYXRCGIRF-PBHICJAKSA-N 1 2 329.444 2.150 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000672782246 486192854 /nfs/dbraw/zinc/19/28/54/486192854.db2.gz JMEGLKYXRCGIRF-PBHICJAKSA-N 1 2 329.444 2.150 20 30 EEEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)Cc1ccccc1Br ZINC000743852269 576032844 /nfs/dbraw/zinc/03/28/44/576032844.db2.gz IZPNXUZOLAEFSB-UHFFFAOYSA-N 1 2 347.256 2.366 20 30 EEEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)Cc1ccccc1Br ZINC000743852269 576032847 /nfs/dbraw/zinc/03/28/47/576032847.db2.gz IZPNXUZOLAEFSB-UHFFFAOYSA-N 1 2 347.256 2.366 20 30 EEEDLO C#CCNC(=O)CN1CC[NH+]([C@H](CC)c2ccc(Cl)cc2)CC1 ZINC000728571140 576507282 /nfs/dbraw/zinc/50/72/82/576507282.db2.gz CODBDYCHYOLNLP-QGZVFWFLSA-N 1 2 333.863 2.158 20 30 EEEDLO COc1ccc(NC(=S)N[NH+]=Cc2ccc(N(C)C)cc2)cn1 ZINC000729641717 576670450 /nfs/dbraw/zinc/67/04/50/576670450.db2.gz ULEWLJUMMZRYKM-UHFFFAOYSA-N 1 2 329.429 2.477 20 30 EEEDLO C=CC[N@H+](CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O)C1CC1 ZINC000771638641 577223046 /nfs/dbraw/zinc/22/30/46/577223046.db2.gz CYDGGTSLJDOIBJ-LJQANCHMSA-N 1 2 325.412 2.074 20 30 EEEDLO C=CC[N@@H+](CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O)C1CC1 ZINC000771638641 577223048 /nfs/dbraw/zinc/22/30/48/577223048.db2.gz CYDGGTSLJDOIBJ-LJQANCHMSA-N 1 2 325.412 2.074 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC000772121381 577252857 /nfs/dbraw/zinc/25/28/57/577252857.db2.gz MROVJEYVKMQTNP-CYBMUJFWSA-N 1 2 339.395 2.023 20 30 EEEDLO C#CCOc1ccccc1CNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000734135465 577279880 /nfs/dbraw/zinc/27/98/80/577279880.db2.gz XHKFNFIRCRRGNA-UHFFFAOYSA-N 1 2 332.363 2.209 20 30 EEEDLO CC[C@H]1COCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000734489195 577302533 /nfs/dbraw/zinc/30/25/33/577302533.db2.gz MCGXQLFMNQIUFE-GJZGRUSLSA-N 1 2 336.395 2.334 20 30 EEEDLO CC[C@H]1COCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000734489195 577302535 /nfs/dbraw/zinc/30/25/35/577302535.db2.gz MCGXQLFMNQIUFE-GJZGRUSLSA-N 1 2 336.395 2.334 20 30 EEEDLO C=CC[C@@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccncc1 ZINC000734667086 577317057 /nfs/dbraw/zinc/31/70/57/577317057.db2.gz ACMZDBIMSYJABR-MRXNPFEDSA-N 1 2 332.448 2.109 20 30 EEEDLO C=CC[C@@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccncc1 ZINC000734667086 577317058 /nfs/dbraw/zinc/31/70/58/577317058.db2.gz ACMZDBIMSYJABR-MRXNPFEDSA-N 1 2 332.448 2.109 20 30 EEEDLO Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccnc(-n4cc[nH+]c4)c3)nc21 ZINC000774107241 577383724 /nfs/dbraw/zinc/38/37/24/577383724.db2.gz WWBYFGVWHJGHRR-ZDUSSCGKSA-N 1 2 343.350 2.337 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000775856477 577447303 /nfs/dbraw/zinc/44/73/03/577447303.db2.gz VVGCWBMAONTBCZ-NHYWBVRUSA-N 1 2 347.381 2.273 20 30 EEEDLO CC#CCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000776106256 577452217 /nfs/dbraw/zinc/45/22/17/577452217.db2.gz HVHOVURIJYQTCQ-MRXNPFEDSA-N 1 2 326.400 2.231 20 30 EEEDLO O=S(=O)(NN=Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000764722055 577487384 /nfs/dbraw/zinc/48/73/84/577487384.db2.gz USNLVLZTYYIRQU-UHFFFAOYSA-N 1 2 344.371 2.324 20 30 EEEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CCN(CC)C(=O)C1 ZINC000758275516 577620670 /nfs/dbraw/zinc/62/06/70/577620670.db2.gz IQMCYPDAQVDPGK-UHFFFAOYSA-N 1 2 330.457 2.436 20 30 EEEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CCN(CC)C(=O)C1 ZINC000758275516 577620671 /nfs/dbraw/zinc/62/06/71/577620671.db2.gz IQMCYPDAQVDPGK-UHFFFAOYSA-N 1 2 330.457 2.436 20 30 EEEDLO Cn1nnc2cc(C[N@@H+]3CCO[C@H](c4cccc(C#N)c4)C3)ccc21 ZINC000761758762 577688938 /nfs/dbraw/zinc/68/89/38/577688938.db2.gz JRJZAIIMSXNWDS-IBGZPJMESA-N 1 2 333.395 2.413 20 30 EEEDLO Cn1nnc2cc(C[N@H+]3CCO[C@H](c4cccc(C#N)c4)C3)ccc21 ZINC000761758762 577688939 /nfs/dbraw/zinc/68/89/39/577688939.db2.gz JRJZAIIMSXNWDS-IBGZPJMESA-N 1 2 333.395 2.413 20 30 EEEDLO O=c1[nH]c2ccccc2cc1C=NNc1ccc(-n2cc[nH+]c2)nn1 ZINC000761855280 577690227 /nfs/dbraw/zinc/69/02/27/577690227.db2.gz NKCMMALOEZVYIH-UHFFFAOYSA-N 1 2 331.339 2.362 20 30 EEEDLO C#C[C@@H](CC)NC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000753261848 577784101 /nfs/dbraw/zinc/78/41/01/577784101.db2.gz 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CC[N@H+](C)[C@H](C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000745103119 577909031 /nfs/dbraw/zinc/90/90/31/577909031.db2.gz ZXJBKKXTFIQLDH-HKUYNNGSSA-N 1 2 345.443 2.277 20 30 EEEDLO CC[N@@H+](C)[C@H](C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000745103119 577909032 /nfs/dbraw/zinc/90/90/32/577909032.db2.gz ZXJBKKXTFIQLDH-HKUYNNGSSA-N 1 2 345.443 2.277 20 30 EEEDLO COc1ncnc(N)c1C=[NH+]Nc1ccc(Br)cc1F ZINC000747631320 577947195 /nfs/dbraw/zinc/94/71/95/577947195.db2.gz IVRTUATUZRUYJZ-UHFFFAOYSA-N 1 2 340.156 2.415 20 30 EEEDLO N#CCC[C@H](C#N)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826380452 608462808 /nfs/dbraw/zinc/46/28/08/608462808.db2.gz AWFBTMQOLCEBNW-CQSZACIVSA-N 1 2 333.399 2.399 20 30 EEEDLO N#CCC[C@H](C#N)C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826380452 608462810 /nfs/dbraw/zinc/46/28/10/608462810.db2.gz AWFBTMQOLCEBNW-CQSZACIVSA-N 1 2 333.399 2.399 20 30 EEEDLO C#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1n[nH]nc1-c1ccccc1 ZINC000969156688 674648650 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/nfs/dbraw/zinc/79/04/11/678790411.db2.gz YGXGTLYPGFKSOE-HXUWFJFHSA-N 1 2 328.456 2.417 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4ncccc4s3)C2)C1 ZINC000972494141 678916319 /nfs/dbraw/zinc/91/63/19/678916319.db2.gz OFEOGYCMSKPTMZ-GOSISDBHSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4ncccc4s3)C2)C1 ZINC000972494141 678916320 /nfs/dbraw/zinc/91/63/20/678916320.db2.gz OFEOGYCMSKPTMZ-GOSISDBHSA-N 1 2 343.452 2.399 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)on2)C1 ZINC000972508008 679119161 /nfs/dbraw/zinc/11/91/61/679119161.db2.gz JUNCHFOCIARECQ-SQNIBIBYSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)on2)C1 ZINC000972508008 679119163 /nfs/dbraw/zinc/11/91/63/679119163.db2.gz JUNCHFOCIARECQ-SQNIBIBYSA-N 1 2 347.459 2.387 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3[C@@H]4CCCCCC[C@@H]43)C2)C1 ZINC000972572257 679327793 /nfs/dbraw/zinc/32/77/93/679327793.db2.gz 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C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(Cl)ccc3C)C2)C1 ZINC000972607012 679420283 /nfs/dbraw/zinc/42/02/83/679420283.db2.gz YKMYYNQHAQIHJY-GOSISDBHSA-N 1 2 332.831 2.199 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(Cl)ccc3C)C2)C1 ZINC000972607012 679420285 /nfs/dbraw/zinc/42/02/85/679420285.db2.gz YKMYYNQHAQIHJY-GOSISDBHSA-N 1 2 332.831 2.199 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)n(C(C)(C)C)n3)C2)C1 ZINC000972676347 679587182 /nfs/dbraw/zinc/58/71/82/679587182.db2.gz JIXBXXKYGKNJDP-IBGZPJMESA-N 1 2 346.475 2.049 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)n(C(C)(C)C)n3)C2)C1 ZINC000972676347 679587185 /nfs/dbraw/zinc/58/71/85/679587185.db2.gz JIXBXXKYGKNJDP-IBGZPJMESA-N 1 2 346.475 2.049 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Cc3ccccc3C)C2)C1 ZINC000972694302 679617487 /nfs/dbraw/zinc/61/74/87/679617487.db2.gz AIRIISVJUSBIFQ-WIYYLYMNSA-N 1 2 340.467 2.110 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Cc3ccccc3C)C2)C1 ZINC000972694302 679617490 /nfs/dbraw/zinc/61/74/90/679617490.db2.gz AIRIISVJUSBIFQ-WIYYLYMNSA-N 1 2 340.467 2.110 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccoc3C(C)C)C2)C1 ZINC000972694184 679618772 /nfs/dbraw/zinc/61/87/72/679618772.db2.gz NNYSXYDQDXHQDH-IBGZPJMESA-N 1 2 330.428 2.343 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccoc3C(C)C)C2)C1 ZINC000972694184 679618774 /nfs/dbraw/zinc/61/87/74/679618774.db2.gz NNYSXYDQDXHQDH-IBGZPJMESA-N 1 2 330.428 2.343 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Cc3ccc(C)cc3)C2)C1 ZINC000972694923 679620110 /nfs/dbraw/zinc/62/01/10/679620110.db2.gz QTVYPGOWLWDFLN-WIYYLYMNSA-N 1 2 340.467 2.110 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Cc3ccc(C)cc3)C2)C1 ZINC000972694923 679620112 /nfs/dbraw/zinc/62/01/12/679620112.db2.gz QTVYPGOWLWDFLN-WIYYLYMNSA-N 1 2 340.467 2.110 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccccc3CC(C)C)C2)C1 ZINC000972695736 679621339 /nfs/dbraw/zinc/62/13/39/679621339.db2.gz JUYPRGWEUFOROY-NRFANRHFSA-N 1 2 340.467 2.435 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccccc3CC(C)C)C2)C1 ZINC000972695736 679621342 /nfs/dbraw/zinc/62/13/42/679621342.db2.gz JUYPRGWEUFOROY-NRFANRHFSA-N 1 2 340.467 2.435 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC4CCC3CC4)C2)C1 ZINC000972696485 679621983 /nfs/dbraw/zinc/62/19/83/679621983.db2.gz XHVZKZFNTZOCMB-BZWMRVRASA-N 1 2 330.472 2.139 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC4CCC3CC4)C2)C1 ZINC000972696485 679621986 /nfs/dbraw/zinc/62/19/86/679621986.db2.gz XHVZKZFNTZOCMB-BZWMRVRASA-N 1 2 330.472 2.139 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC4CCC3CC4)C2)C1 ZINC000972696487 679622062 /nfs/dbraw/zinc/62/20/62/679622062.db2.gz XHVZKZFNTZOCMB-QQGUTBHFSA-N 1 2 330.472 2.139 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC4CCC3CC4)C2)C1 ZINC000972696487 679622066 /nfs/dbraw/zinc/62/20/66/679622066.db2.gz XHVZKZFNTZOCMB-QQGUTBHFSA-N 1 2 330.472 2.139 20 30 EEEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)c1ccon1 ZINC000972827775 679807859 /nfs/dbraw/zinc/80/78/59/679807859.db2.gz UAUSYLXFJAJXAH-INIZCTEOSA-N 1 2 342.374 2.326 20 30 EEEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)c1ccon1 ZINC000972827775 679807861 /nfs/dbraw/zinc/80/78/61/679807861.db2.gz UAUSYLXFJAJXAH-INIZCTEOSA-N 1 2 342.374 2.326 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cocn1 ZINC000972864077 679825977 /nfs/dbraw/zinc/82/59/77/679825977.db2.gz UFXYLBRATYKJQV-MRXNPFEDSA-N 1 2 342.374 2.326 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cocn1 ZINC000972864077 679825978 /nfs/dbraw/zinc/82/59/78/679825978.db2.gz UFXYLBRATYKJQV-MRXNPFEDSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1nccs1 ZINC000947205696 679860256 /nfs/dbraw/zinc/86/02/56/679860256.db2.gz VELWHXFHVFJCMK-AAEUAGOBSA-N 1 2 329.429 2.126 20 30 EEEDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1nccs1 ZINC000947205696 679860257 /nfs/dbraw/zinc/86/02/57/679860257.db2.gz VELWHXFHVFJCMK-AAEUAGOBSA-N 1 2 329.429 2.126 20 30 EEEDLO Cc1cnc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)cn1 ZINC001024312769 679870851 /nfs/dbraw/zinc/87/08/51/679870851.db2.gz NULAFLYXPWWCMY-SFHVURJKSA-N 1 2 349.438 2.441 20 30 EEEDLO Cc1cnc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)cn1 ZINC001024312769 679870852 /nfs/dbraw/zinc/87/08/52/679870852.db2.gz NULAFLYXPWWCMY-SFHVURJKSA-N 1 2 349.438 2.441 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccon2)s1 ZINC001024342758 679877833 /nfs/dbraw/zinc/87/78/33/679877833.db2.gz CKMDBUZBRVRGJR-LBPRGKRZSA-N 1 2 330.413 2.392 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccon2)s1 ZINC001024342758 679877834 /nfs/dbraw/zinc/87/78/34/679877834.db2.gz CKMDBUZBRVRGJR-LBPRGKRZSA-N 1 2 330.413 2.392 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cncc(F)c2)c[nH]1 ZINC001024400321 679889949 /nfs/dbraw/zinc/88/99/49/679889949.db2.gz WPXXBMTYCSITPD-KRWDZBQOSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cncc(F)c2)c[nH]1 ZINC001024400321 679889950 /nfs/dbraw/zinc/88/99/50/679889950.db2.gz WPXXBMTYCSITPD-KRWDZBQOSA-N 1 2 341.390 2.205 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnc2[nH]cnc21 ZINC001024460543 679925938 /nfs/dbraw/zinc/92/59/38/679925938.db2.gz CODBGNIALSEJKH-LBPRGKRZSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccnc2[nH]cnc21 ZINC001024460543 679925943 /nfs/dbraw/zinc/92/59/43/679925943.db2.gz CODBGNIALSEJKH-LBPRGKRZSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccnc2[nH]cnc21 ZINC001024460540 679925968 /nfs/dbraw/zinc/92/59/68/679925968.db2.gz CODBGNIALSEJKH-GFCCVEGCSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccnc2[nH]cnc21 ZINC001024460540 679925973 /nfs/dbraw/zinc/92/59/73/679925973.db2.gz CODBGNIALSEJKH-GFCCVEGCSA-N 1 2 333.823 2.295 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CCOC1 ZINC001006899952 679991067 /nfs/dbraw/zinc/99/10/67/679991067.db2.gz VAUSUNDLSJBLOY-AEFFLSMTSA-N 1 2 346.858 2.309 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CCOC1 ZINC001006899952 679991073 /nfs/dbraw/zinc/99/10/73/679991073.db2.gz VAUSUNDLSJBLOY-AEFFLSMTSA-N 1 2 346.858 2.309 20 30 EEEDLO Cn1cncc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024536952 680060962 /nfs/dbraw/zinc/06/09/62/680060962.db2.gz XRYKGRNZRGSQCB-KRWDZBQOSA-N 1 2 337.427 2.076 20 30 EEEDLO Cn1cncc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024536952 680060970 /nfs/dbraw/zinc/06/09/70/680060970.db2.gz XRYKGRNZRGSQCB-KRWDZBQOSA-N 1 2 337.427 2.076 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCn3cncc3C2)C(C)(C)C1 ZINC000974741576 685383962 /nfs/dbraw/zinc/38/39/62/685383962.db2.gz IPBRXZZPCIDRCL-ZFWWWQNUSA-N 1 2 336.867 2.025 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2CCn3cncc3C2)C(C)(C)C1 ZINC000974741576 685383967 /nfs/dbraw/zinc/38/39/67/685383967.db2.gz IPBRXZZPCIDRCL-ZFWWWQNUSA-N 1 2 336.867 2.025 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(CCC)nn1 ZINC001024733070 681395044 /nfs/dbraw/zinc/39/50/44/681395044.db2.gz HMNFLEDDCKWPSK-CYBMUJFWSA-N 1 2 325.844 2.025 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(CCC)nn1 ZINC001024733070 681395048 /nfs/dbraw/zinc/39/50/48/681395048.db2.gz HMNFLEDDCKWPSK-CYBMUJFWSA-N 1 2 325.844 2.025 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001024810783 681463048 /nfs/dbraw/zinc/46/30/48/681463048.db2.gz JPVJNYFUTPAWKS-DZGCQCFKSA-N 1 2 336.867 2.238 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001024810783 681463050 /nfs/dbraw/zinc/46/30/50/681463050.db2.gz JPVJNYFUTPAWKS-DZGCQCFKSA-N 1 2 336.867 2.238 20 30 EEEDLO CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(C(C)C)[nH]n3)C[C@@]2(C)C1 ZINC000982584237 681710902 /nfs/dbraw/zinc/71/09/02/681710902.db2.gz UEEFZRMPHSQSRM-KDURUIRLSA-N 1 2 328.460 2.340 20 30 EEEDLO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(C(C)C)[nH]n3)C[C@@]2(C)C1 ZINC000982584237 681710905 /nfs/dbraw/zinc/71/09/05/681710905.db2.gz UEEFZRMPHSQSRM-KDURUIRLSA-N 1 2 328.460 2.340 20 30 EEEDLO CC1(C)C[N@H+](Cc2cncc(F)c2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973005467 681830834 /nfs/dbraw/zinc/83/08/34/681830834.db2.gz HRBWOFXGTOVTQS-INIZCTEOSA-N 1 2 341.390 2.061 20 30 EEEDLO CC1(C)C[N@@H+](Cc2cncc(F)c2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000973005467 681830840 /nfs/dbraw/zinc/83/08/40/681830840.db2.gz HRBWOFXGTOVTQS-INIZCTEOSA-N 1 2 341.390 2.061 20 30 EEEDLO Cc1nn(C)c(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)c1C#N ZINC000892620074 681988663 /nfs/dbraw/zinc/98/86/63/681988663.db2.gz DAFWFPKMSVSMNP-UHFFFAOYSA-N 1 2 344.325 2.175 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc2[nH]nnc2c1 ZINC001025293576 682403642 /nfs/dbraw/zinc/40/36/42/682403642.db2.gz DQPUHIKKEMVGGB-ROUUACIJSA-N 1 2 337.427 2.050 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccc2[nH]nnc2c1 ZINC001025293576 682403643 /nfs/dbraw/zinc/40/36/43/682403643.db2.gz DQPUHIKKEMVGGB-ROUUACIJSA-N 1 2 337.427 2.050 20 30 EEEDLO C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCCN(CC#N)C1 ZINC001025581440 683036538 /nfs/dbraw/zinc/03/65/38/683036538.db2.gz CUWHYIAZIPJEMC-NVXWUHKLSA-N 1 2 337.427 2.226 20 30 EEEDLO CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1csnn1 ZINC000974868244 685643569 /nfs/dbraw/zinc/64/35/69/685643569.db2.gz IUWLOORHXIXTGT-MRXNPFEDSA-N 1 2 340.452 2.030 20 30 EEEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1csnn1 ZINC000974868244 685643571 /nfs/dbraw/zinc/64/35/71/685643571.db2.gz IUWLOORHXIXTGT-MRXNPFEDSA-N 1 2 340.452 2.030 20 30 EEEDLO N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]21 ZINC000992871668 683610860 /nfs/dbraw/zinc/61/08/60/683610860.db2.gz FEVPWCGJWPLHBC-NZSAHSFTSA-N 1 2 349.438 2.226 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)c1csnn1 ZINC001015425177 683635490 /nfs/dbraw/zinc/63/54/90/683635490.db2.gz RIFDJEIXTKJACS-CQSZACIVSA-N 1 2 346.843 2.047 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)c1csnn1 ZINC001015425177 683635497 /nfs/dbraw/zinc/63/54/97/683635497.db2.gz RIFDJEIXTKJACS-CQSZACIVSA-N 1 2 346.843 2.047 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](F)C1 ZINC001025977839 683707750 /nfs/dbraw/zinc/70/77/50/683707750.db2.gz ATKBQHLCJYVJPG-NWFSRUCESA-N 1 2 345.393 2.382 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](F)C1 ZINC001025977839 683707751 /nfs/dbraw/zinc/70/77/51/683707751.db2.gz ATKBQHLCJYVJPG-NWFSRUCESA-N 1 2 345.393 2.382 20 30 EEEDLO CCC(=O)N1CCOC2(CC[NH+](Cc3cc(F)ccc3C#N)CC2)C1 ZINC000948992880 683709572 /nfs/dbraw/zinc/70/95/72/683709572.db2.gz RRJDNCWOQXGJOO-UHFFFAOYSA-N 1 2 345.418 2.301 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C)C1 ZINC001026085974 683823966 /nfs/dbraw/zinc/82/39/66/683823966.db2.gz XXIIYWXSCUHAEW-JWZAGAIZSA-N 1 2 327.266 2.378 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C)C1 ZINC001026085974 683823971 /nfs/dbraw/zinc/82/39/71/683823971.db2.gz XXIIYWXSCUHAEW-JWZAGAIZSA-N 1 2 327.266 2.378 20 30 EEEDLO 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C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(OC)n1 ZINC001029423125 684488032 /nfs/dbraw/zinc/48/80/32/684488032.db2.gz QIQKISQIONLBOC-IYBDPMFKSA-N 1 2 329.444 2.478 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)[C@@]1(F)CCOC1 ZINC000974965679 685786886 /nfs/dbraw/zinc/78/68/86/685786886.db2.gz AHLBHWLTPVEJGJ-QFBILLFUSA-N 1 2 345.418 2.013 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)[C@@]1(F)CCOC1 ZINC000974965679 685786890 /nfs/dbraw/zinc/78/68/90/685786890.db2.gz AHLBHWLTPVEJGJ-QFBILLFUSA-N 1 2 345.418 2.013 20 30 EEEDLO Cc1[nH]c(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)[nH+]c1C ZINC000896910087 685815150 /nfs/dbraw/zinc/81/51/50/685815150.db2.gz IHBKEQDGAZOOFX-AWEZNQCLSA-N 1 2 341.390 2.180 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2nccs2)CC1(C)C ZINC000975068639 686095606 /nfs/dbraw/zinc/09/56/06/686095606.db2.gz YDGMFOOCSFWEEF-RDBSUJKOSA-N 1 2 335.473 2.061 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2nccs2)CC1(C)C ZINC000975068639 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CCN(C(=O)c1cnco1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033910755 1195485902 /nfs/dbraw/zinc/48/59/02/1195485902.db2.gz LXKWGCFRCAKVAD-KRWDZBQOSA-N 1 2 341.386 2.402 20 30 EEEDLO CCN(C(=O)c1cnco1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033910755 1195485903 /nfs/dbraw/zinc/48/59/03/1195485903.db2.gz LXKWGCFRCAKVAD-KRWDZBQOSA-N 1 2 341.386 2.402 20 30 EEEDLO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cnc([C@H]3CCCO3)s2)C1 ZINC001033980226 1195599417 /nfs/dbraw/zinc/59/94/17/1195599417.db2.gz QPRYLNYUJPKKGC-ZIAGYGMSSA-N 1 2 333.457 2.164 20 30 EEEDLO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnc([C@H]3CCCO3)s2)C1 ZINC001033980226 1195599420 /nfs/dbraw/zinc/59/94/20/1195599420.db2.gz QPRYLNYUJPKKGC-ZIAGYGMSSA-N 1 2 333.457 2.164 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cnc3cccnn32)C1 ZINC001033982040 1195601226 /nfs/dbraw/zinc/60/12/26/1195601226.db2.gz NWVNBPPTQVCSHB-CYBMUJFWSA-N 1 2 333.823 2.018 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnc3cccnn32)C1 ZINC001033982040 1195601229 /nfs/dbraw/zinc/60/12/29/1195601229.db2.gz NWVNBPPTQVCSHB-CYBMUJFWSA-N 1 2 333.823 2.018 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnn3ccc(C)nc23)C1 ZINC001034021735 1195674801 /nfs/dbraw/zinc/67/48/01/1195674801.db2.gz UZZXLFUKZCCNTG-AWEZNQCLSA-N 1 2 347.850 2.327 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn3ccc(C)nc23)C1 ZINC001034021735 1195674802 /nfs/dbraw/zinc/67/48/02/1195674802.db2.gz UZZXLFUKZCCNTG-AWEZNQCLSA-N 1 2 347.850 2.327 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(N(C)C)cn2)C1 ZINC001034050402 1195704804 /nfs/dbraw/zinc/70/48/04/1195704804.db2.gz LMLAJCIUVFZHEQ-HNNXBMFYSA-N 1 2 336.867 2.437 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(N(C)C)cn2)C1 ZINC001034050402 1195704808 /nfs/dbraw/zinc/70/48/08/1195704808.db2.gz LMLAJCIUVFZHEQ-HNNXBMFYSA-N 1 2 336.867 2.437 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)c1 ZINC001061725714 1195752549 /nfs/dbraw/zinc/75/25/49/1195752549.db2.gz YIMHVCRMGVPPPO-QGZVFWFLSA-N 1 2 349.438 2.034 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108119615 1195918375 /nfs/dbraw/zinc/91/83/75/1195918375.db2.gz RADFOTXSCBARDG-HXUWFJFHSA-N 1 2 341.455 2.478 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108119615 1195918377 /nfs/dbraw/zinc/91/83/77/1195918377.db2.gz RADFOTXSCBARDG-HXUWFJFHSA-N 1 2 341.455 2.478 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H](Nc2[nH+]cnc3c2cnn3C)[C@@H]1C ZINC001090233432 1196510752 /nfs/dbraw/zinc/51/07/52/1196510752.db2.gz FJWGZSRUMVMSFM-JSGCOSHPSA-N 1 2 328.420 2.121 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(CC)no1 ZINC001034958159 1196918819 /nfs/dbraw/zinc/91/88/19/1196918819.db2.gz BYPMLWLQZPDASI-CQSZACIVSA-N 1 2 343.431 2.014 20 30 EEEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cnc(Cl)nc1)CC2 ZINC001273277175 1197946819 /nfs/dbraw/zinc/94/68/19/1197946819.db2.gz HPIGJKNFGIKYGM-AWEZNQCLSA-N 1 2 347.850 2.152 20 30 EEEDLO Cn1ncc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)n1 ZINC000809994897 1199187524 /nfs/dbraw/zinc/18/75/24/1199187524.db2.gz HYYWGCKKTFJJED-UHFFFAOYSA-N 1 2 337.383 2.231 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2csc(C)c2C)CC[C@H]1C ZINC001132053778 1199240096 /nfs/dbraw/zinc/24/00/96/1199240096.db2.gz FFQXWFGLMJGISC-IUODEOHRSA-N 1 2 349.500 2.250 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2csc(C)c2C)CC[C@H]1C ZINC001132053778 1199240098 /nfs/dbraw/zinc/24/00/98/1199240098.db2.gz FFQXWFGLMJGISC-IUODEOHRSA-N 1 2 349.500 2.250 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1CC(=O)Nc1ccccc1 ZINC001132046241 1199252544 /nfs/dbraw/zinc/25/25/44/1199252544.db2.gz NJPQTVIJCHGYLW-QAPCUYQASA-N 1 2 339.439 2.008 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1CC(=O)Nc1ccccc1 ZINC001132046241 1199252548 /nfs/dbraw/zinc/25/25/48/1199252548.db2.gz NJPQTVIJCHGYLW-QAPCUYQASA-N 1 2 339.439 2.008 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCNC(=O)C2CC2)CC[C@H]1C ZINC001132078527 1199269435 /nfs/dbraw/zinc/26/94/35/1199269435.db2.gz LZFVCESNOBAPPG-UKRRQHHQSA-N 1 2 341.883 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCNC(=O)C2CC2)CC[C@H]1C ZINC001132078527 1199269441 /nfs/dbraw/zinc/26/94/41/1199269441.db2.gz LZFVCESNOBAPPG-UKRRQHHQSA-N 1 2 341.883 2.014 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccnc(OC)n2)C1 ZINC001132218325 1199456033 /nfs/dbraw/zinc/45/60/33/1199456033.db2.gz PBHXFSJMCKULPP-KBPBESRZSA-N 1 2 332.448 2.167 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccnc(OC)n2)C1 ZINC001132218325 1199456037 /nfs/dbraw/zinc/45/60/37/1199456037.db2.gz PBHXFSJMCKULPP-KBPBESRZSA-N 1 2 332.448 2.167 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=O)NCC3CC3)C2)CC1 ZINC001132291602 1199543842 /nfs/dbraw/zinc/54/38/42/1199543842.db2.gz LEWNEXBQHJHLQR-NVXWUHKLSA-N 1 2 347.503 2.228 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=O)NCC3CC3)C2)CC1 ZINC001132291602 1199543844 /nfs/dbraw/zinc/54/38/44/1199543844.db2.gz LEWNEXBQHJHLQR-NVXWUHKLSA-N 1 2 347.503 2.228 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nnc(Cc2ccccc2)o1 ZINC001132576181 1199874092 /nfs/dbraw/zinc/87/40/92/1199874092.db2.gz HSFLPKDOZVKNQV-CABCVRRESA-N 1 2 342.443 2.324 20 30 EEEDLO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC001137116808 1199875932 /nfs/dbraw/zinc/87/59/32/1199875932.db2.gz RFLWCNCWYXYOTB-INIZCTEOSA-N 1 2 326.400 2.064 20 30 EEEDLO COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC001137116808 1199875934 /nfs/dbraw/zinc/87/59/34/1199875934.db2.gz RFLWCNCWYXYOTB-INIZCTEOSA-N 1 2 326.400 2.064 20 30 EEEDLO C#CC[NH2+]C[C@H]1CN(C(=O)c2c(Cl)[nH]nc2C2CC2)CC[C@H]1C ZINC001132877991 1200142910 /nfs/dbraw/zinc/14/29/10/1200142910.db2.gz FOLOBQXUMIPSBE-YPMHNXCESA-N 1 2 334.851 2.262 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O)c1ccccc1 ZINC000878467397 1200487713 /nfs/dbraw/zinc/48/77/13/1200487713.db2.gz WKTDVKUJUDZCHG-POZUXBRTSA-N 1 2 327.428 2.013 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O)c1ccccc1 ZINC000878467397 1200487721 /nfs/dbraw/zinc/48/77/21/1200487721.db2.gz WKTDVKUJUDZCHG-POZUXBRTSA-N 1 2 327.428 2.013 20 30 EEEDLO CCOC(=O)C[C@@H](CC#N)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000870618925 1200772638 /nfs/dbraw/zinc/77/26/38/1200772638.db2.gz WOLKWNDKZMYRTH-OAHLLOKOSA-N 1 2 327.340 2.265 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CN(c3cc[nH+]c(C)n3)CC2(C)C)CCC1 ZINC001114467859 1200934204 /nfs/dbraw/zinc/93/42/04/1200934204.db2.gz JCWZVFSIFLKDGG-OAHLLOKOSA-N 1 2 326.444 2.310 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001018392991 1224668230 /nfs/dbraw/zinc/66/82/30/1224668230.db2.gz FXUNIBCWUQTPLL-ZBFHGGJFSA-N 1 2 344.459 2.194 20 30 EEEDLO C#C[C@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCCO1 ZINC000883626637 1202100399 /nfs/dbraw/zinc/10/03/99/1202100399.db2.gz BJEXUOMWNAHDQI-KSZLIROESA-N 1 2 338.411 2.104 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(Cl)c(C#N)c2)C1=O ZINC001274138161 1204397998 /nfs/dbraw/zinc/39/79/98/1204397998.db2.gz IHBSZIJJOBZXRS-GOSISDBHSA-N 1 2 327.815 2.412 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(Cl)c(C#N)c2)C1=O ZINC001274138161 1204398001 /nfs/dbraw/zinc/39/80/01/1204398001.db2.gz IHBSZIJJOBZXRS-GOSISDBHSA-N 1 2 327.815 2.412 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccncc2C(F)(F)F)C1=O ZINC001274212468 1204468456 /nfs/dbraw/zinc/46/84/56/1204468456.db2.gz AIZYYAIVZCDTRO-MRXNPFEDSA-N 1 2 337.345 2.301 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccncc2C(F)(F)F)C1=O ZINC001274212468 1204468458 /nfs/dbraw/zinc/46/84/58/1204468458.db2.gz AIZYYAIVZCDTRO-MRXNPFEDSA-N 1 2 337.345 2.301 20 30 EEEDLO C#CCN1CC[C@@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001274442108 1205037455 /nfs/dbraw/zinc/03/74/55/1205037455.db2.gz LZDSBVDGUFZLNP-QGZVFWFLSA-N 1 2 336.794 2.242 20 30 EEEDLO C#CCN1CC[C@@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)C1=O ZINC001274442108 1205037457 /nfs/dbraw/zinc/03/74/57/1205037457.db2.gz LZDSBVDGUFZLNP-QGZVFWFLSA-N 1 2 336.794 2.242 20 30 EEEDLO C=CCN1CC2(C[NH+](C[C@H](O)CCCCCCCC)C2)OCC1=O ZINC001274576885 1205084619 /nfs/dbraw/zinc/08/46/19/1205084619.db2.gz RQXRKWMFSNTZBN-QGZVFWFLSA-N 1 2 338.492 2.197 20 30 EEEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(C#N)ccc1O)CC2 ZINC001274667649 1205125081 /nfs/dbraw/zinc/12/50/81/1205125081.db2.gz PYPLJYHSJOWCIR-MRXNPFEDSA-N 1 2 325.412 2.168 20 30 EEEDLO C=CCN1CC[C@]2(CCCN2c2nc(N3CCCC3)c(C)c[nH+]2)C1=O ZINC001274731355 1205146530 /nfs/dbraw/zinc/14/65/30/1205146530.db2.gz NHVQOIBIBHPVET-LJQANCHMSA-N 1 2 341.459 2.143 20 30 EEEDLO Cn1cnc(C[N@@H+]2CCC[C@@]23CCN(Cc2cccc(C#N)c2)C3=O)c1 ZINC001275365574 1205323567 /nfs/dbraw/zinc/32/35/67/1205323567.db2.gz PDOQWTZYDXTHFX-FQEVSTJZSA-N 1 2 349.438 2.059 20 30 EEEDLO Cn1cnc(C[N@H+]2CCC[C@@]23CCN(Cc2cccc(C#N)c2)C3=O)c1 ZINC001275365574 1205323568 /nfs/dbraw/zinc/32/35/68/1205323568.db2.gz PDOQWTZYDXTHFX-FQEVSTJZSA-N 1 2 349.438 2.059 20 30 EEEDLO CC(C)NC(=O)N1CCC2(C[NH+](Cc3cc(F)cc(C#N)c3)C2)C1 ZINC001275413988 1205347887 /nfs/dbraw/zinc/34/78/87/1205347887.db2.gz PNSBFVDZLJOZGH-UHFFFAOYSA-N 1 2 330.407 2.323 20 30 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C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(Cl)n(C)n2)C1 ZINC000967290798 1220384565 /nfs/dbraw/zinc/38/45/65/1220384565.db2.gz CYMOPQNIIZJVJH-BXKDBHETSA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(Cl)n(C)n2)C1 ZINC000967290798 1220384568 /nfs/dbraw/zinc/38/45/68/1220384568.db2.gz CYMOPQNIIZJVJH-BXKDBHETSA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2ncc3cccnc32)C1 ZINC000967396216 1220479369 /nfs/dbraw/zinc/47/93/69/1220479369.db2.gz BPCQVRHHGQJPEI-SWLSCSKDSA-N 1 2 347.850 2.010 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2ncc3cccnc32)C1 ZINC000967396216 1220479370 /nfs/dbraw/zinc/47/93/70/1220479370.db2.gz BPCQVRHHGQJPEI-SWLSCSKDSA-N 1 2 347.850 2.010 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2cc(CC)nn2C)C1 ZINC000967419233 1220497028 /nfs/dbraw/zinc/49/70/28/1220497028.db2.gz ICWMLSVWDVCKGV-MLGOLLRUSA-N 1 2 338.883 2.104 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2cc(CC)nn2C)C1 ZINC000967419233 1220497031 /nfs/dbraw/zinc/49/70/31/1220497031.db2.gz ICWMLSVWDVCKGV-MLGOLLRUSA-N 1 2 338.883 2.104 20 30 EEEDLO N#Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)c1 ZINC000968752404 1221538585 /nfs/dbraw/zinc/53/85/85/1221538585.db2.gz MTPJSHGAPMOFRR-CHWSQXEVSA-N 1 2 329.297 2.149 20 30 EEEDLO N#Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)c1 ZINC000968752404 1221538588 /nfs/dbraw/zinc/53/85/88/1221538588.db2.gz MTPJSHGAPMOFRR-CHWSQXEVSA-N 1 2 329.297 2.149 20 30 EEEDLO Cn1cccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001006775247 1221935586 /nfs/dbraw/zinc/93/55/86/1221935586.db2.gz VJXOFLREXYJNCM-MRXNPFEDSA-N 1 2 340.402 2.430 20 30 EEEDLO Cn1cccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001006775247 1221935588 /nfs/dbraw/zinc/93/55/88/1221935588.db2.gz VJXOFLREXYJNCM-MRXNPFEDSA-N 1 2 340.402 2.430 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCCCO3)C2)c1 ZINC001007119630 1222100937 /nfs/dbraw/zinc/10/09/37/1222100937.db2.gz GSHZCRKTTIPTBV-SJLPKXTDSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CCCCO3)C2)c1 ZINC001007119630 1222100938 /nfs/dbraw/zinc/10/09/38/1222100938.db2.gz GSHZCRKTTIPTBV-SJLPKXTDSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccnc(Cl)c3)C2)[nH]1 ZINC001007145002 1222110057 /nfs/dbraw/zinc/11/00/57/1222110057.db2.gz WRWQYQHPVRXGRO-AWEZNQCLSA-N 1 2 343.818 2.329 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccnc(Cl)c3)C2)[nH]1 ZINC001007145002 1222110059 /nfs/dbraw/zinc/11/00/59/1222110059.db2.gz WRWQYQHPVRXGRO-AWEZNQCLSA-N 1 2 343.818 2.329 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CC3(F)F)C2)ccc1F ZINC001007299506 1222158941 /nfs/dbraw/zinc/15/89/41/1222158941.db2.gz RBKDDUVFJAJIQU-UONOGXRCSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3CC3(F)F)C2)ccc1F ZINC001007299506 1222158944 /nfs/dbraw/zinc/15/89/44/1222158944.db2.gz RBKDDUVFJAJIQU-UONOGXRCSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3cc[nH]c3)C2)c(F)c1 ZINC001007399970 1222207821 /nfs/dbraw/zinc/20/78/21/1222207821.db2.gz UPCCEIVJJWUNHF-INIZCTEOSA-N 1 2 326.375 2.420 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3cc[nH]c3)C2)c(F)c1 ZINC001007399970 1222207823 /nfs/dbraw/zinc/20/78/23/1222207823.db2.gz UPCCEIVJJWUNHF-INIZCTEOSA-N 1 2 326.375 2.420 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-c3cc[nH]n3)s2)C1 ZINC001007546510 1222287883 /nfs/dbraw/zinc/28/78/83/1222287883.db2.gz JKFVYKLVBPEOPA-ZDUSSCGKSA-N 1 2 328.441 2.356 20 30 EEEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-c3cc[nH]n3)s2)C1 ZINC001007546510 1222287887 /nfs/dbraw/zinc/28/78/87/1222287887.db2.gz JKFVYKLVBPEOPA-ZDUSSCGKSA-N 1 2 328.441 2.356 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001007647311 1222344566 /nfs/dbraw/zinc/34/45/66/1222344566.db2.gz BXNXGMSXUFOTSP-HNNXBMFYSA-N 1 2 349.862 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001007647311 1222344574 /nfs/dbraw/zinc/34/45/74/1222344574.db2.gz BXNXGMSXUFOTSP-HNNXBMFYSA-N 1 2 349.862 2.462 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)CC1 ZINC001014031723 1226125911 /nfs/dbraw/zinc/12/59/11/1226125911.db2.gz NVUWYELQVGOPAJ-BBRMVZONSA-N 1 2 344.459 2.113 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCCCCC3)C2)C1 ZINC001008437264 1222836835 /nfs/dbraw/zinc/83/68/35/1222836835.db2.gz KJJWLRBRQUWEDG-KRWDZBQOSA-N 1 2 347.503 2.326 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCCCCC3)C2)C1 ZINC001008437264 1222836839 /nfs/dbraw/zinc/83/68/39/1222836839.db2.gz KJJWLRBRQUWEDG-KRWDZBQOSA-N 1 2 347.503 2.326 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CCCO1 ZINC001010061059 1223530750 /nfs/dbraw/zinc/53/07/50/1223530750.db2.gz PMEXOKUPOSIZFV-SJORKVTESA-N 1 2 332.831 2.061 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CCCO1 ZINC001010061059 1223530753 /nfs/dbraw/zinc/53/07/53/1223530753.db2.gz PMEXOKUPOSIZFV-SJORKVTESA-N 1 2 332.831 2.061 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3ccccc3O)C2)ccc1F ZINC001010273308 1223637217 /nfs/dbraw/zinc/63/72/17/1223637217.db2.gz UJLSWIBBWKYLJG-HNNXBMFYSA-N 1 2 339.370 2.407 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)c3ccccc3O)C2)ccc1F ZINC001010273308 1223637219 /nfs/dbraw/zinc/63/72/19/1223637219.db2.gz UJLSWIBBWKYLJG-HNNXBMFYSA-N 1 2 339.370 2.407 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)[nH]n1 ZINC001010340210 1223670821 /nfs/dbraw/zinc/67/08/21/1223670821.db2.gz VOWVLWYRYVSKTR-INIZCTEOSA-N 1 2 342.830 2.227 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)[nH]n1 ZINC001010340210 1223670823 /nfs/dbraw/zinc/67/08/23/1223670823.db2.gz VOWVLWYRYVSKTR-INIZCTEOSA-N 1 2 342.830 2.227 20 30 EEEDLO Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001010422139 1223713357 /nfs/dbraw/zinc/71/33/57/1223713357.db2.gz UWILFGUGSIMWNQ-IBGZPJMESA-N 1 2 337.398 2.385 20 30 EEEDLO Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001010422139 1223713359 /nfs/dbraw/zinc/71/33/59/1223713359.db2.gz UWILFGUGSIMWNQ-IBGZPJMESA-N 1 2 337.398 2.385 20 30 EEEDLO C=CCCC(=O)N(C)CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001066988265 1223985512 /nfs/dbraw/zinc/98/55/12/1223985512.db2.gz FVKRQQPYWQRROG-UHFFFAOYSA-N 1 2 328.416 2.450 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc3nsnc32)C1 ZINC001016446115 1226489118 /nfs/dbraw/zinc/48/91/18/1226489118.db2.gz HGPCAQPFAHZCAZ-GFCCVEGCSA-N 1 2 336.848 2.177 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cccc3nsnc32)C1 ZINC001016446115 1226489123 /nfs/dbraw/zinc/48/91/23/1226489123.db2.gz HGPCAQPFAHZCAZ-GFCCVEGCSA-N 1 2 336.848 2.177 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccnn2C2CCC2)C1 ZINC001014471788 1226656744 /nfs/dbraw/zinc/65/67/44/1226656744.db2.gz MFYCTCVQABBYRO-QGZVFWFLSA-N 1 2 349.438 2.484 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccnn2C2CCC2)C1 ZINC001014471788 1226656748 /nfs/dbraw/zinc/65/67/48/1226656748.db2.gz MFYCTCVQABBYRO-QGZVFWFLSA-N 1 2 349.438 2.484 20 30 EEEDLO CC(C)n1nccc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001014550409 1226759152 /nfs/dbraw/zinc/75/91/52/1226759152.db2.gz CTWBUXGGTCPSTD-GOSISDBHSA-N 1 2 336.439 2.320 20 30 EEEDLO CC(C)n1nccc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001014550409 1226759158 /nfs/dbraw/zinc/75/91/58/1226759158.db2.gz CTWBUXGGTCPSTD-GOSISDBHSA-N 1 2 336.439 2.320 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2[nH]nc3c2cccc3OC)C1 ZINC001014578508 1226800106 /nfs/dbraw/zinc/80/01/06/1226800106.db2.gz QLAOARHCNGWCLA-LLVKDONJSA-N 1 2 334.807 2.128 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc3c2cccc3OC)C1 ZINC001014578508 1226800112 /nfs/dbraw/zinc/80/01/12/1226800112.db2.gz QLAOARHCNGWCLA-LLVKDONJSA-N 1 2 334.807 2.128 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC23CC[NH+](Cc2nncn2C)CC3)CC1 ZINC001016803058 1226890457 /nfs/dbraw/zinc/89/04/57/1226890457.db2.gz MWPJSTAMVOGUEB-INIZCTEOSA-N 1 2 343.475 2.032 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc([C@H](C)OC)n1 ZINC001017555463 1227517728 /nfs/dbraw/zinc/51/77/28/1227517728.db2.gz NZYRDMBPJNMJJS-MELADBBJSA-N 1 2 333.457 2.163 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc([C@H](C)OC)n1 ZINC001017555463 1227517732 /nfs/dbraw/zinc/51/77/32/1227517732.db2.gz NZYRDMBPJNMJJS-MELADBBJSA-N 1 2 333.457 2.163 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2cc(OC)ccc21 ZINC001017603226 1227564141 /nfs/dbraw/zinc/56/41/41/1227564141.db2.gz KMPWKAWOSCNXJZ-QKLQHJQFSA-N 1 2 338.451 2.424 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2cc(OC)ccc21 ZINC001017603226 1227564146 /nfs/dbraw/zinc/56/41/46/1227564146.db2.gz KMPWKAWOSCNXJZ-QKLQHJQFSA-N 1 2 338.451 2.424 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc2cccnc21 ZINC001017782678 1227728743 /nfs/dbraw/zinc/72/87/43/1227728743.db2.gz GEIWXCUXCLMPRF-KDURUIRLSA-N 1 2 333.435 2.476 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc2cccnc21 ZINC001017782678 1227728745 /nfs/dbraw/zinc/72/87/45/1227728745.db2.gz GEIWXCUXCLMPRF-KDURUIRLSA-N 1 2 333.435 2.476 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)cc1 ZINC001018877415 1228480636 /nfs/dbraw/zinc/48/06/36/1228480636.db2.gz BNUBPTPDTKGCOA-QWHCGFSZSA-N 1 2 329.297 2.149 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)cc1 ZINC001018877415 1228480638 /nfs/dbraw/zinc/48/06/38/1228480638.db2.gz BNUBPTPDTKGCOA-QWHCGFSZSA-N 1 2 329.297 2.149 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001018877691 1228480806 /nfs/dbraw/zinc/48/08/06/1228480806.db2.gz DPBFDYPILKRGKH-QWHCGFSZSA-N 1 2 329.297 2.149 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([NH2+]Cc2nn(C)cc2Cl)C1 ZINC001018969071 1228590023 /nfs/dbraw/zinc/59/00/23/1228590023.db2.gz KMAKGKZMMAQRLH-ZDUSSCGKSA-N 1 2 347.850 2.065 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccnn2C(F)F)c1 ZINC001038290944 1229726566 /nfs/dbraw/zinc/72/65/66/1229726566.db2.gz RVXLBJCQXKOSKK-AWEZNQCLSA-N 1 2 345.353 2.154 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccnn2C(F)F)c1 ZINC001038290944 1229726567 /nfs/dbraw/zinc/72/65/67/1229726567.db2.gz RVXLBJCQXKOSKK-AWEZNQCLSA-N 1 2 345.353 2.154 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+]1Cc1scnc1C ZINC001038354122 1229764242 /nfs/dbraw/zinc/76/42/42/1229764242.db2.gz QNCMOKRLVYGZHC-AWEZNQCLSA-N 1 2 330.457 2.443 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1scnc1C ZINC001038354122 1229764246 /nfs/dbraw/zinc/76/42/46/1229764246.db2.gz QNCMOKRLVYGZHC-AWEZNQCLSA-N 1 2 330.457 2.443 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001038662354 1229958941 /nfs/dbraw/zinc/95/89/41/1229958941.db2.gz QSEYVXMTLDPLNN-FUHWJXTLSA-N 1 2 347.503 2.324 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001038662354 1229958943 /nfs/dbraw/zinc/95/89/43/1229958943.db2.gz QSEYVXMTLDPLNN-FUHWJXTLSA-N 1 2 347.503 2.324 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001067300084 1230674678 /nfs/dbraw/zinc/67/46/78/1230674678.db2.gz YKZJSQCUTWXLFU-HUUCEWRRSA-N 1 2 334.464 2.107 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H](C)C(=O)N(C)C)CC1 ZINC001039891090 1230890318 /nfs/dbraw/zinc/89/03/18/1230890318.db2.gz HCLKMLCZNHQQBM-RYQLBKOJSA-N 1 2 347.503 2.275 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H](C)C(=O)N(C)C)CC1 ZINC001039891090 1230890322 /nfs/dbraw/zinc/89/03/22/1230890322.db2.gz HCLKMLCZNHQQBM-RYQLBKOJSA-N 1 2 347.503 2.275 20 30 EEEDLO C#CC[N@H+]1CC[C@]2(CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)C2)C1 ZINC001041452162 1231550301 /nfs/dbraw/zinc/55/03/01/1231550301.db2.gz AFVLSZPISCBNTG-FQEVSTJZSA-N 1 2 334.423 2.248 20 30 EEEDLO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)C2)C1 ZINC001041452162 1231550302 /nfs/dbraw/zinc/55/03/02/1231550302.db2.gz AFVLSZPISCBNTG-FQEVSTJZSA-N 1 2 334.423 2.248 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@@H](Nc3cc[nH+]c(C)n3)C23CCC3)cn1 ZINC001041597127 1231616273 /nfs/dbraw/zinc/61/62/73/1231616273.db2.gz GMBMVPOIMVSIBC-IAGOWNOFSA-N 1 2 347.422 2.314 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@]3(CC[N@@H+](Cc4nnc(C)[nH]4)C3)C2)CC1 ZINC001041637068 1231632619 /nfs/dbraw/zinc/63/26/19/1231632619.db2.gz YFFRUFPDTQLPIQ-IBGZPJMESA-N 1 2 343.475 2.284 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@]3(CC[N@H+](Cc4nnc(C)[nH]4)C3)C2)CC1 ZINC001041637068 1231632620 /nfs/dbraw/zinc/63/26/20/1231632620.db2.gz YFFRUFPDTQLPIQ-IBGZPJMESA-N 1 2 343.475 2.284 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC001041879707 1231744727 /nfs/dbraw/zinc/74/47/27/1231744727.db2.gz NFPWIWAEUUXBQU-XHDPSFHLSA-N 1 2 337.345 2.385 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC001041879707 1231744730 /nfs/dbraw/zinc/74/47/30/1231744730.db2.gz NFPWIWAEUUXBQU-XHDPSFHLSA-N 1 2 337.345 2.385 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@H+](Cc3ccon3)[C@@H]2C1 ZINC001042093930 1231883491 /nfs/dbraw/zinc/88/34/91/1231883491.db2.gz BWYHLYXBADQVPS-CRAIPNDOSA-N 1 2 340.427 2.399 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccon3)[C@@H]2C1 ZINC001042093930 1231883493 /nfs/dbraw/zinc/88/34/93/1231883493.db2.gz BWYHLYXBADQVPS-CRAIPNDOSA-N 1 2 340.427 2.399 20 30 EEEDLO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C(F)(F)F)[nH]n3)C[C@H]21 ZINC001042271471 1231995951 /nfs/dbraw/zinc/99/59/51/1231995951.db2.gz YOHCUTLQHBSYJX-ZYHUDNBSSA-N 1 2 328.338 2.151 20 30 EEEDLO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C(F)(F)F)[nH]n3)C[C@H]21 ZINC001042271471 1231995952 /nfs/dbraw/zinc/99/59/52/1231995952.db2.gz YOHCUTLQHBSYJX-ZYHUDNBSSA-N 1 2 328.338 2.151 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(-c4ccoc4)[nH]n3)C[C@H]21 ZINC001042354681 1232042167 /nfs/dbraw/zinc/04/21/67/1232042167.db2.gz CCAXKUQUASJZOM-KBXCAEBGSA-N 1 2 338.411 2.229 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cc(-c4ccoc4)[nH]n3)C[C@H]21 ZINC001042354681 1232042170 /nfs/dbraw/zinc/04/21/70/1232042170.db2.gz CCAXKUQUASJZOM-KBXCAEBGSA-N 1 2 338.411 2.229 20 30 EEEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](CCc2ccccc2F)C1 ZINC001042638609 1232126690 /nfs/dbraw/zinc/12/66/90/1232126690.db2.gz PPCFSTPWQSMLIH-UHFFFAOYSA-N 1 2 326.375 2.024 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](Cc3cccc(COC)c3)C2)nc1 ZINC001044198999 1232784219 /nfs/dbraw/zinc/78/42/19/1232784219.db2.gz HNEPYCWOHGBLCH-UHFFFAOYSA-N 1 2 349.434 2.166 20 30 EEEDLO C=CCn1cccc1C(=O)NC1(C)CC[NH+](Cc2ccon2)CC1 ZINC001045461177 1233758214 /nfs/dbraw/zinc/75/82/14/1233758214.db2.gz QUORWKZAVWRFGA-UHFFFAOYSA-N 1 2 328.416 2.447 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cnn(CC)n2)C1 ZINC001045844358 1234060402 /nfs/dbraw/zinc/06/04/02/1234060402.db2.gz KVGYHOAOMNTBGC-SJORKVTESA-N 1 2 343.475 2.220 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2cnn(CC)n2)C1 ZINC001045844358 1234060405 /nfs/dbraw/zinc/06/04/05/1234060405.db2.gz KVGYHOAOMNTBGC-SJORKVTESA-N 1 2 343.475 2.220 20 30 EEEDLO CC[C@@H](CC1CCCC1)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046069979 1234403965 /nfs/dbraw/zinc/40/39/65/1234403965.db2.gz KTNRNXNMKDWDKF-OALUTQOASA-N 1 2 346.519 2.335 20 30 EEEDLO CC1=C(C)C[C@@](C)(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046087213 1234423778 /nfs/dbraw/zinc/42/37/78/1234423778.db2.gz PHWKEWQZIJPOPK-QUCCMNQESA-N 1 2 344.503 2.255 20 30 EEEDLO Cc1ocnc1C(=O)N[C@]1(C)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046179326 1234520361 /nfs/dbraw/zinc/52/03/61/1234520361.db2.gz XFIIUFKDNCTUNN-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ocnc1C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046179326 1234520364 /nfs/dbraw/zinc/52/03/64/1234520364.db2.gz XFIIUFKDNCTUNN-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO C[C@@]1(NC(=O)c2ccns2)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046355374 1234699246 /nfs/dbraw/zinc/69/92/46/1234699246.db2.gz HCKWMAITSADWHK-OAHLLOKOSA-N 1 2 332.454 2.471 20 30 EEEDLO C[C@@]1(NC(=O)c2ccns2)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046355374 1234699255 /nfs/dbraw/zinc/69/92/55/1234699255.db2.gz HCKWMAITSADWHK-OAHLLOKOSA-N 1 2 332.454 2.471 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cn3c(n2)C[C@H](C)CC3)C1 ZINC001046418075 1234780316 /nfs/dbraw/zinc/78/03/16/1234780316.db2.gz NDRGBJVUCPXKJM-PXAZEXFGSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cn3c(n2)C[C@H](C)CC3)C1 ZINC001046418075 1234780320 /nfs/dbraw/zinc/78/03/20/1234780320.db2.gz NDRGBJVUCPXKJM-PXAZEXFGSA-N 1 2 336.867 2.412 20 30 EEEDLO Cc1nc(NC[C@@H]2c3ccccc3CCN2C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001067699900 1249403856 /nfs/dbraw/zinc/40/38/56/1249403856.db2.gz OUIJGHLITULNEZ-CXAGYDPISA-N 1 2 335.411 2.483 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001046614301 1234997619 /nfs/dbraw/zinc/99/76/19/1234997619.db2.gz LSYVGBNMESMRCO-QGZVFWFLSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001046614301 1234997620 /nfs/dbraw/zinc/99/76/20/1234997620.db2.gz LSYVGBNMESMRCO-QGZVFWFLSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001067711776 1249413834 /nfs/dbraw/zinc/41/38/34/1249413834.db2.gz GFALNAFXDAFTQI-HUUCEWRRSA-N 1 2 344.459 2.176 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001067711776 1249413836 /nfs/dbraw/zinc/41/38/36/1249413836.db2.gz GFALNAFXDAFTQI-HUUCEWRRSA-N 1 2 344.459 2.176 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2Cc3cccc(F)c3O2)C1 ZINC001046844448 1235242265 /nfs/dbraw/zinc/24/22/65/1235242265.db2.gz AXLNZDJFCYRPQB-PBHICJAKSA-N 1 2 338.810 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2Cc3cccc(F)c3O2)C1 ZINC001046844448 1235242267 /nfs/dbraw/zinc/24/22/67/1235242267.db2.gz AXLNZDJFCYRPQB-PBHICJAKSA-N 1 2 338.810 2.462 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccns1 ZINC001096147650 1235434556 /nfs/dbraw/zinc/43/45/56/1235434556.db2.gz KYRZICTUBCICER-VFTHGPRRSA-N 1 2 347.484 2.346 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccns1 ZINC001096147650 1235434559 /nfs/dbraw/zinc/43/45/59/1235434559.db2.gz KYRZICTUBCICER-VFTHGPRRSA-N 1 2 347.484 2.346 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096155179 1235492994 /nfs/dbraw/zinc/49/29/94/1235492994.db2.gz FLFQSDASLGLZFC-OAHLLOKOSA-N 1 2 332.448 2.196 20 30 EEEDLO Cc1[nH]c(/C=C/C(=O)c2cccc(S(=O)(=O)N(C)C)c2)[nH+]c1C ZINC000901458860 1235829972 /nfs/dbraw/zinc/82/99/72/1235829972.db2.gz JPCYYFGRFLVZPX-CMDGGOBGSA-N 1 2 333.413 2.173 20 30 EEEDLO CC(C(=O)N(C)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)=C1CCC1 ZINC001047377385 1235934831 /nfs/dbraw/zinc/93/48/31/1235934831.db2.gz DLEUQLMKGHHJPI-PMACEKPBSA-N 1 2 338.451 2.042 20 30 EEEDLO CC(C(=O)N(C)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)=C1CCC1 ZINC001047377385 1235934836 /nfs/dbraw/zinc/93/48/36/1235934836.db2.gz DLEUQLMKGHHJPI-PMACEKPBSA-N 1 2 338.451 2.042 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096185584 1236008363 /nfs/dbraw/zinc/00/83/63/1236008363.db2.gz JFIJLJOTYSSUPH-INIZCTEOSA-N 1 2 332.448 2.080 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096184886 1236020572 /nfs/dbraw/zinc/02/05/72/1236020572.db2.gz CCWGOUIOWMGMKE-ZBFHGGJFSA-N 1 2 344.459 2.339 20 30 EEEDLO C=CCN(CCCc1c[nH+]cn1C)S(=O)(=O)c1cccs1 ZINC000902142027 1237117478 /nfs/dbraw/zinc/11/74/78/1237117478.db2.gz CVDZICHZWFJBRG-UHFFFAOYSA-N 1 2 325.459 2.291 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1CN(C)c1[nH+]cnc2c1cnn2C ZINC001067785219 1249604318 /nfs/dbraw/zinc/60/43/18/1249604318.db2.gz FMSOKTLBQLURIW-ZDUSSCGKSA-N 1 2 342.447 2.003 20 30 EEEDLO C=C1CCC(C(=O)N(C)CCCN(C)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001067881687 1249867861 /nfs/dbraw/zinc/86/78/61/1249867861.db2.gz SUSQGCFASPVVJP-UHFFFAOYSA-N 1 2 346.475 2.314 20 30 EEEDLO C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC001049583416 1241514463 /nfs/dbraw/zinc/51/44/63/1241514463.db2.gz VQTKSHJYHCDRMR-RTBURBONSA-N 1 2 334.423 2.389 20 30 EEEDLO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC001049583416 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/nfs/dbraw/zinc/69/51/57/1297695157.db2.gz BJLHSJVNSJQNSL-FHLIZLRMSA-N 1 2 347.459 2.251 20 30 EEEDLO Cc1cnc(C[N@H+](C)C[C@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)o1 ZINC001073997530 1297767994 /nfs/dbraw/zinc/76/79/94/1297767994.db2.gz XYVOSNMRLQIIDT-MRXNPFEDSA-N 1 2 341.415 2.310 20 30 EEEDLO Cc1cnc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)o1 ZINC001073997530 1297768005 /nfs/dbraw/zinc/76/80/05/1297768005.db2.gz XYVOSNMRLQIIDT-MRXNPFEDSA-N 1 2 341.415 2.310 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001073997942 1297769084 /nfs/dbraw/zinc/76/90/84/1297769084.db2.gz XYKKXWGQFSAALA-IRXDYDNUSA-N 1 2 346.475 2.373 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3csc(C)c3C)C[C@H]21 ZINC001074248616 1297964504 /nfs/dbraw/zinc/96/45/04/1297964504.db2.gz IWIAKXVLUNHHMZ-IAGOWNOFSA-N 1 2 332.469 2.304 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3csc(C)c3C)C[C@H]21 ZINC001074248616 1297964511 /nfs/dbraw/zinc/96/45/11/1297964511.db2.gz IWIAKXVLUNHHMZ-IAGOWNOFSA-N 1 2 332.469 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CC(C)C[C@@H](C)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220742967 1298520278 /nfs/dbraw/zinc/52/02/78/1298520278.db2.gz XWSPWRDCHAJIBY-RLLQIKCJSA-N 1 2 342.483 2.272 20 30 EEEDLO CC(C)C[C@@H](C)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220742967 1298520289 /nfs/dbraw/zinc/52/02/89/1298520289.db2.gz XWSPWRDCHAJIBY-RLLQIKCJSA-N 1 2 342.483 2.272 20 30 EEEDLO COCCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221319871 1298772329 /nfs/dbraw/zinc/77/23/29/1298772329.db2.gz MGRYLZAZKGKJJH-SJLPKXTDSA-N 1 2 345.418 2.157 20 30 EEEDLO COCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001221319871 1298772338 /nfs/dbraw/zinc/77/23/38/1298772338.db2.gz MGRYLZAZKGKJJH-SJLPKXTDSA-N 1 2 345.418 2.157 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cc(C)on1 ZINC001099042819 1298822965 /nfs/dbraw/zinc/82/29/65/1298822965.db2.gz CEHRFLULAFLAMB-LPHOPBHVSA-N 1 2 349.475 2.417 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cc(C)on1 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1304314084 /nfs/dbraw/zinc/31/40/84/1304314084.db2.gz IRSWDFYIFMOTKN-UHFFFAOYSA-N 1 2 343.406 2.338 20 30 EEEDLO CN(CCCN(C)c1cccc(F)c1C#N)C(=O)CCc1c[nH+]c[nH]1 ZINC001112192580 1304314090 /nfs/dbraw/zinc/31/40/90/1304314090.db2.gz IRSWDFYIFMOTKN-UHFFFAOYSA-N 1 2 343.406 2.338 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CN(C)C(=O)C(F)=C2CCCC2)C1=O ZINC001233681718 1304556300 /nfs/dbraw/zinc/55/63/00/1304556300.db2.gz BFUKXKVWHZKPRW-JKSUJKDBSA-N 1 2 349.450 2.104 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CN(C)C(=O)C(F)=C2CCCC2)C1=O ZINC001233681718 1304556302 /nfs/dbraw/zinc/55/63/02/1304556302.db2.gz BFUKXKVWHZKPRW-JKSUJKDBSA-N 1 2 349.450 2.104 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)NCCC(C)C ZINC001233802154 1304598797 /nfs/dbraw/zinc/59/87/97/1304598797.db2.gz UBIPNQJQSZKONB-QZTJIDSGSA-N 1 2 349.519 2.264 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)NCCC(C)C ZINC001233802154 1304598801 /nfs/dbraw/zinc/59/88/01/1304598801.db2.gz 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342.443 2.461 20 30 EEEDLO C[C@H](O)CN(C)[NH+]=Cc1nc(N(C)C)n(-c2ccccc2)c1Cl ZINC000841656501 1315591781 /nfs/dbraw/zinc/59/17/81/1315591781.db2.gz VGHCMACPAWMZLE-LBPRGKRZSA-N 1 2 335.839 2.238 20 30 EEEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(C)nc1N)CCC2 ZINC001143200123 1315888027 /nfs/dbraw/zinc/88/80/27/1315888027.db2.gz PCKOZADYILPMNF-UHFFFAOYSA-N 1 2 327.432 2.277 20 30 EEEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccc(C)nc1N)CCC2 ZINC001143200123 1315888029 /nfs/dbraw/zinc/88/80/29/1315888029.db2.gz PCKOZADYILPMNF-UHFFFAOYSA-N 1 2 327.432 2.277 20 30 EEEDLO Cc1ccc(N2CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)cc1 ZINC000843402724 1315908717 /nfs/dbraw/zinc/90/87/17/1315908717.db2.gz MOIRKGAHTIOWPQ-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H]1C[N@H+](Cc2ccn(CC)n2)CCCO1 ZINC001149772862 1316042755 /nfs/dbraw/zinc/04/27/55/1316042755.db2.gz SLCCFRRCRYYDMP-KRWDZBQOSA-N 1 2 348.491 2.212 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccn(CC)n2)CCCO1 ZINC001149772862 1316042758 /nfs/dbraw/zinc/04/27/58/1316042758.db2.gz SLCCFRRCRYYDMP-KRWDZBQOSA-N 1 2 348.491 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001149967337 1316108865 /nfs/dbraw/zinc/10/88/65/1316108865.db2.gz XBQQYJYMYPVVJM-CABCVRRESA-N 1 2 344.883 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001149967337 1316108868 /nfs/dbraw/zinc/10/88/68/1316108868.db2.gz XBQQYJYMYPVVJM-CABCVRRESA-N 1 2 344.883 2.151 20 30 EEEDLO C=C[C@@H](C(=O)NCC[NH2+][C@H](C)c1nc(CC)no1)c1ccccc1 ZINC001152002866 1316619297 /nfs/dbraw/zinc/61/92/97/1316619297.db2.gz ACJQHTARDIOWFJ-UKRRQHHQSA-N 1 2 328.416 2.369 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 ZINC001152622480 1316698377 /nfs/dbraw/zinc/69/83/77/1316698377.db2.gz ZFNFUAVPLAZWEE-LLVKDONJSA-N 1 2 339.237 2.235 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1cc(C#N)c[nH]1 ZINC001152622480 1316698379 /nfs/dbraw/zinc/69/83/79/1316698379.db2.gz ZFNFUAVPLAZWEE-LLVKDONJSA-N 1 2 339.237 2.235 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(C)sc1C ZINC001153018548 1316760258 /nfs/dbraw/zinc/76/02/58/1316760258.db2.gz HUTZUEHSXKRXRO-PXAZEXFGSA-N 1 2 339.505 2.414 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(C)sc1C ZINC001153018548 1316760261 /nfs/dbraw/zinc/76/02/61/1316760261.db2.gz HUTZUEHSXKRXRO-PXAZEXFGSA-N 1 2 339.505 2.414 20 30 EEEDLO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@H+](CC)CC(=O)Nc1ccon1 ZINC001153560739 1316843396 /nfs/dbraw/zinc/84/33/96/1316843396.db2.gz HVTVXAGYJVKLLZ-CQSZACIVSA-N 1 2 348.447 2.208 20 30 EEEDLO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccon1 ZINC001153560739 1316843398 /nfs/dbraw/zinc/84/33/98/1316843398.db2.gz HVTVXAGYJVKLLZ-CQSZACIVSA-N 1 2 348.447 2.208 20 30 EEEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nc([C@@H](C)OC)no2)CCCC1 ZINC001153814208 1316890436 /nfs/dbraw/zinc/89/04/36/1316890436.db2.gz VVIOYZKWUBBJQN-CYBMUJFWSA-N 1 2 336.436 2.119 20 30 EEEDLO C#CC[NH+]1CCN(Cc2c[nH]c3cc(C(=O)OCC)ccc23)CC1 ZINC001249158022 1317014532 /nfs/dbraw/zinc/01/45/32/1317014532.db2.gz CQFKLJQHPNPTNR-UHFFFAOYSA-N 1 2 325.412 2.095 20 30 EEEDLO COc1cnc(N2CC[NH+](Cc3cc4ccc(C#N)cc4[nH]3)CC2)nc1 ZINC001249431085 1317084345 /nfs/dbraw/zinc/08/43/45/1317084345.db2.gz SZLUMYJKTRQBNR-UHFFFAOYSA-N 1 2 348.410 2.160 20 30 EEEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC001250744062 1317310597 /nfs/dbraw/zinc/31/05/97/1317310597.db2.gz HEESIDOEJXUFPY-UHFFFAOYSA-N 1 2 329.425 2.106 20 30 EEEDLO C=CCC[C@H](O)C[NH2+]c1ccc(N2CCN(C(C)=O)CC2)cc1OC ZINC001252612955 1317646808 /nfs/dbraw/zinc/64/68/08/1317646808.db2.gz SRRRHBOKDATBAK-KRWDZBQOSA-N 1 2 347.459 2.103 20 30 EEEDLO CN(C)c1cc(Cn2cc(C#N)c(=O)c3cc([N+](=O)[O-])ccc32)cc[nH+]1 ZINC001254870646 1318214410 /nfs/dbraw/zinc/21/44/10/1318214410.db2.gz YSBGJBWWYQTRJI-UHFFFAOYSA-N 1 2 349.350 2.291 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)c2nc(Br)n3ccccc23)CC1 ZINC001156797072 1318214924 /nfs/dbraw/zinc/21/49/24/1318214924.db2.gz MKKUMEGMSPZJJK-UHFFFAOYSA-N 1 2 349.232 2.041 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)c2ccc(OC)cc2)CC1 ZINC001255118380 1318287774 /nfs/dbraw/zinc/28/77/74/1318287774.db2.gz OZPLBNVZHJXCTF-AWEZNQCLSA-N 1 2 329.396 2.155 20 30 EEEDLO N#Cc1nc(Cl)ccc1C(F)(F)NCC[NH+]1CCSCC1 ZINC001157043201 1318364895 /nfs/dbraw/zinc/36/48/95/1318364895.db2.gz FZIMIQZFPHHOFA-UHFFFAOYSA-N 1 2 332.807 2.294 20 30 EEEDLO Cc1noc([C@H](C)[N@@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)C)n1 ZINC001157931246 1318936545 /nfs/dbraw/zinc/93/65/45/1318936545.db2.gz YZFJUZKYFAVYAL-GOEBONIOSA-N 1 2 332.448 2.411 20 30 EEEDLO Cc1noc([C@H](C)[N@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)C)n1 ZINC001157931246 1318936546 /nfs/dbraw/zinc/93/65/46/1318936546.db2.gz YZFJUZKYFAVYAL-GOEBONIOSA-N 1 2 332.448 2.411 20 30 EEEDLO C#CCCCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cn(C)nn1 ZINC001158316174 1319170846 /nfs/dbraw/zinc/17/08/46/1319170846.db2.gz BULZMIAXTMCNCY-GOSISDBHSA-N 1 2 345.491 2.212 20 30 EEEDLO C#CCCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cn(C)nn1 ZINC001158316174 1319170851 /nfs/dbraw/zinc/17/08/51/1319170851.db2.gz BULZMIAXTMCNCY-GOSISDBHSA-N 1 2 345.491 2.212 20 30 EEEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cnnn1CC ZINC001158357428 1319196768 /nfs/dbraw/zinc/19/67/68/1319196768.db2.gz HLBAWCLDYDTILD-QGZVFWFLSA-N 1 2 345.491 2.305 20 30 EEEDLO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cnnn1CC ZINC001158357428 1319196773 /nfs/dbraw/zinc/19/67/73/1319196773.db2.gz HLBAWCLDYDTILD-QGZVFWFLSA-N 1 2 345.491 2.305 20 30 EEEDLO C=C[C@@H]1C[C@@]1([NH2+]C1CCN(C(=O)c2ccccc2)CC1)C(=O)OCC ZINC001258637869 1319315004 /nfs/dbraw/zinc/31/50/04/1319315004.db2.gz HZEOXJYGWZJLJF-UZLBHIALSA-N 1 2 342.439 2.389 20 30 EEEDLO C=CCCOCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)cn1 ZINC001158942968 1319521141 /nfs/dbraw/zinc/52/11/41/1319521141.db2.gz PYBMQEKRLXZIJJ-QGZVFWFLSA-N 1 2 346.475 2.191 20 30 EEEDLO C=CCCOCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)cn1 ZINC001158942968 1319521149 /nfs/dbraw/zinc/52/11/49/1319521149.db2.gz PYBMQEKRLXZIJJ-QGZVFWFLSA-N 1 2 346.475 2.191 20 30 EEEDLO C=CCOCC(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnc(CC)o2)CC1 ZINC001159575714 1319897196 /nfs/dbraw/zinc/89/71/96/1319897196.db2.gz BDCHZUHDLKDCCA-AWEZNQCLSA-N 1 2 348.447 2.034 20 30 EEEDLO C=CCOCC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnc(CC)o2)CC1 ZINC001159575714 1319897204 /nfs/dbraw/zinc/89/72/04/1319897204.db2.gz BDCHZUHDLKDCCA-AWEZNQCLSA-N 1 2 348.447 2.034 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)[C@@H](C)C#N)CC1 ZINC001159586921 1319901863 /nfs/dbraw/zinc/90/18/63/1319901863.db2.gz FCVGKBXCBBNVLQ-NSHDSACASA-N 1 2 326.238 2.193 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C)C#N)CC1 ZINC001159586921 1319901864 /nfs/dbraw/zinc/90/18/64/1319901864.db2.gz FCVGKBXCBBNVLQ-NSHDSACASA-N 1 2 326.238 2.193 20 30 EEEDLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CC=C(CCNC(=O)[C@@H](C)C#N)CC1 ZINC001159593859 1319905995 /nfs/dbraw/zinc/90/59/95/1319905995.db2.gz KMBVKWDWTILSQN-QWHCGFSZSA-N 1 2 343.431 2.306 20 30 EEEDLO C[C@H](c1nc(C2CC2)no1)[N@H+]1CC=C(CCNC(=O)[C@@H](C)C#N)CC1 ZINC001159593859 1319905998 /nfs/dbraw/zinc/90/59/98/1319905998.db2.gz KMBVKWDWTILSQN-QWHCGFSZSA-N 1 2 343.431 2.306 20 30 EEEDLO Cc1nc(C#N)cnc1NC1CC[NH+](CC(=O)c2ccccc2)CC1 ZINC001161147440 1320400712 /nfs/dbraw/zinc/40/07/12/1320400712.db2.gz UQDAJULLEUZPBJ-UHFFFAOYSA-N 1 2 335.411 2.416 20 30 EEEDLO CC#CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H](C)CC)cc2)CC1 ZINC001163018612 1321015987 /nfs/dbraw/zinc/01/59/87/1321015987.db2.gz VPECTYRZCWQMRG-GOSISDBHSA-N 1 2 341.499 2.490 20 30 EEEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)Nc1cc(-n2ccnc2)cc[nH+]1 ZINC001163506266 1321144057 /nfs/dbraw/zinc/14/40/57/1321144057.db2.gz OGONQFXSFVZKQY-KRWDZBQOSA-N 1 2 347.378 2.335 20 30 EEEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1nc2ccsc2c(Cl)n1 ZINC001164640642 1321439961 /nfs/dbraw/zinc/43/99/61/1321439961.db2.gz CMRLWMHZVIYQEN-ZETCQYMHSA-N 1 2 329.763 2.191 20 30 EEEDLO C=CCOC[C@@H]1C[N@H+](Cc2cccnc2)Cc2nnn(CC3CC3)c21 ZINC001204074325 1322034597 /nfs/dbraw/zinc/03/45/97/1322034597.db2.gz IFFBPYHSAPWINY-KRWDZBQOSA-N 1 2 339.443 2.385 20 30 EEEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cccnc2)Cc2nnn(CC3CC3)c21 ZINC001204074325 1322034603 /nfs/dbraw/zinc/03/46/03/1322034603.db2.gz IFFBPYHSAPWINY-KRWDZBQOSA-N 1 2 339.443 2.385 20 30 EEEDLO COC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206599806 1323542382 /nfs/dbraw/zinc/54/23/82/1323542382.db2.gz VJCKQRBIERAOJY-RVKKMQEKSA-N 1 2 348.874 2.411 20 30 EEEDLO COC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206599806 1323542389 /nfs/dbraw/zinc/54/23/89/1323542389.db2.gz VJCKQRBIERAOJY-RVKKMQEKSA-N 1 2 348.874 2.411 20 30 EEEDLO CCC(CC)n1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 ZINC001206647248 1323552906 /nfs/dbraw/zinc/55/29/06/1323552906.db2.gz QDPOSZDQXQPYNZ-JJRVBVJISA-N 1 2 331.464 2.340 20 30 EEEDLO CCC(CC)n1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 ZINC001206647248 1323552911 /nfs/dbraw/zinc/55/29/11/1323552911.db2.gz QDPOSZDQXQPYNZ-JJRVBVJISA-N 1 2 331.464 2.340 20 30 EEEDLO CO[C@H](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206894326 1323676560 /nfs/dbraw/zinc/67/65/60/1323676560.db2.gz GLBBIORUORZWNK-HBUWYVDXSA-N 1 2 347.434 2.449 20 30 EEEDLO CO[C@H](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206894326 1323676566 /nfs/dbraw/zinc/67/65/66/1323676566.db2.gz GLBBIORUORZWNK-HBUWYVDXSA-N 1 2 347.434 2.449 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)/C=C\c2ccc[nH]2)C1 ZINC001206903319 1323685331 /nfs/dbraw/zinc/68/53/31/1323685331.db2.gz XACYNJDWUUPXLC-WLFDKREMSA-N 1 2 338.249 2.373 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C\c2ccc[nH]2)C1 ZINC001206903319 1323685336 /nfs/dbraw/zinc/68/53/36/1323685336.db2.gz XACYNJDWUUPXLC-WLFDKREMSA-N 1 2 338.249 2.373 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001206915478 1323699850 /nfs/dbraw/zinc/69/98/50/1323699850.db2.gz AGCQZECFKRNTQB-HBUWYVDXSA-N 1 2 335.448 2.062 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ncoc2C(C)C)C[C@H]1C ZINC001206915478 1323699855 /nfs/dbraw/zinc/69/98/55/1323699855.db2.gz AGCQZECFKRNTQB-HBUWYVDXSA-N 1 2 335.448 2.062 20 30 EEEDLO COc1c(F)cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC3CC3)C2)cc1F ZINC001206948293 1323734354 /nfs/dbraw/zinc/73/43/54/1323734354.db2.gz CLQRMJRUOZCXQS-SJKOYZFVSA-N 1 2 348.393 2.323 20 30 EEEDLO COc1c(F)cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC3CC3)C2)cc1F ZINC001206948293 1323734361 /nfs/dbraw/zinc/73/43/61/1323734361.db2.gz CLQRMJRUOZCXQS-SJKOYZFVSA-N 1 2 348.393 2.323 20 30 EEEDLO C=CCN(CC[NH+]1CCN(c2ncccn2)CC1)C(=O)OC(C)(C)C ZINC001207198258 1323901716 /nfs/dbraw/zinc/90/17/16/1323901716.db2.gz ATAYSGIPLTXZAV-UHFFFAOYSA-N 1 2 347.463 2.022 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NCCCC ZINC001316599731 1324031841 /nfs/dbraw/zinc/03/18/41/1324031841.db2.gz FNLBORGWQHNSRR-HOTGVXAUSA-N 1 2 337.508 2.426 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NCCCC ZINC001316599731 1324031844 /nfs/dbraw/zinc/03/18/44/1324031844.db2.gz FNLBORGWQHNSRR-HOTGVXAUSA-N 1 2 337.508 2.426 20 30 EEEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC(=O)N(CC)C2CC2)CC1 ZINC001316602502 1324139130 /nfs/dbraw/zinc/13/91/30/1324139130.db2.gz AQXWLQUJCWGJQY-GOSISDBHSA-N 1 2 347.503 2.276 20 30 EEEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC(=O)N(CC)C2CC2)CC1 ZINC001316602502 1324139135 /nfs/dbraw/zinc/13/91/35/1324139135.db2.gz AQXWLQUJCWGJQY-GOSISDBHSA-N 1 2 347.503 2.276 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001284763514 1326701627 /nfs/dbraw/zinc/70/16/27/1326701627.db2.gz URGBNMPPHHXQMO-AWEZNQCLSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCOc1cccc(NC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)c1 ZINC001310188807 1331658937 /nfs/dbraw/zinc/65/89/37/1331658937.db2.gz WXDSXSZNSQZNKF-OAHLLOKOSA-N 1 2 332.448 2.009 20 30 EEEDLO COc1cc(C[N@@H+]2CC[C@H](NC(=O)C#CC3CC3)C2)ccc1Cl ZINC001316976360 1332024676 /nfs/dbraw/zinc/02/46/76/1332024676.db2.gz MKTAKFWUFFKWEM-HNNXBMFYSA-N 1 2 332.831 2.453 20 30 EEEDLO COc1cc(C[N@H+]2CC[C@H](NC(=O)C#CC3CC3)C2)ccc1Cl ZINC001316976360 1332024678 /nfs/dbraw/zinc/02/46/78/1332024678.db2.gz MKTAKFWUFFKWEM-HNNXBMFYSA-N 1 2 332.831 2.453 20 30 EEEDLO C=C(CC)CNC(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001325458324 1333890382 /nfs/dbraw/zinc/89/03/82/1333890382.db2.gz QRQKZXVRJIGAMT-HNNXBMFYSA-N 1 2 337.851 2.141 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC001334734780 1336290156 /nfs/dbraw/zinc/29/01/56/1336290156.db2.gz MNUVWMGEMGVABD-KRWDZBQOSA-N 1 2 325.412 2.158 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC001334734780 1336290158 /nfs/dbraw/zinc/29/01/58/1336290158.db2.gz MNUVWMGEMGVABD-KRWDZBQOSA-N 1 2 325.412 2.158 20 30 EEEDLO C=CC[C@H]1NC(=O)N(c2cccc([C@H](C)[NH+]3CCOCC3)c2)C1=O ZINC001339223094 1336977543 /nfs/dbraw/zinc/97/75/43/1336977543.db2.gz OTNZBRZXGYOQHK-XJKSGUPXSA-N 1 2 329.400 2.081 20 30 EEEDLO C=CCn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1C(C)(C)F ZINC001339611365 1337037377 /nfs/dbraw/zinc/03/73/77/1337037377.db2.gz LZXZDFXETUDXIQ-UHFFFAOYSA-N 1 2 330.411 2.390 20 30 EEEDLO CCOCCCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@H](C#N)C1 ZINC001343936770 1337357841 /nfs/dbraw/zinc/35/78/41/1337357841.db2.gz AKSYPIXYVAHRJE-HZPDHXFCSA-N 1 2 346.479 2.211 20 30 EEEDLO CCOCCCn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@H](C#N)C1 ZINC001343936770 1337357846 /nfs/dbraw/zinc/35/78/46/1337357846.db2.gz AKSYPIXYVAHRJE-HZPDHXFCSA-N 1 2 346.479 2.211 20 30 EEEDLO C#CCN(CC1CC1)C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001345038939 1337420535 /nfs/dbraw/zinc/42/05/35/1337420535.db2.gz XZYPLIDIRMXBIB-INIZCTEOSA-N 1 2 343.446 2.208 20 30 EEEDLO C=C(C)Cn1c([C@H](C)C(C)C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001355873434 1338761060 /nfs/dbraw/zinc/76/10/60/1338761060.db2.gz NRAQNYLNZNKQFM-MRXNPFEDSA-N 1 2 335.496 2.382 20 30 EEEDLO C#CC[C@@]1(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)CCC[NH2+]1 ZINC001574525959 1343679755 /nfs/dbraw/zinc/67/97/55/1343679755.db2.gz UTRRVQNXPNKTQI-INIZCTEOSA-N 1 2 329.791 2.209 20 30 EEEDLO C[C@H](O[NH+]=C(N)c1ccc(F)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC001603709779 1350748018 /nfs/dbraw/zinc/74/80/18/1350748018.db2.gz GPBSPNWCGBVBAK-JTQLQIEISA-N 1 2 326.335 2.404 20 30 EEEDLO CC#CCCCC(=O)NCC[NH2+]Cc1nc(-c2ccc(F)cc2)no1 ZINC001132593198 1367760188 /nfs/dbraw/zinc/76/01/88/1367760188.db2.gz VKMAOJJZIWKRHH-UHFFFAOYSA-N 1 2 344.390 2.275 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)C[C@H](CC)C(C)C)C2)nn1 ZINC001186028985 1368180542 /nfs/dbraw/zinc/18/05/42/1368180542.db2.gz DFKNFWIXEKAVIV-FUHWJXTLSA-N 1 2 345.491 2.237 20 30 EEEDLO COCC#CC(=O)NC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001187133372 1368229023 /nfs/dbraw/zinc/22/90/23/1368229023.db2.gz JMDMVDRBMZJGLG-UHFFFAOYSA-N 1 2 334.419 2.226 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)c2cc(C(F)(F)F)nn2CC2CC2)CC1 ZINC001199593243 1368687683 /nfs/dbraw/zinc/68/76/83/1368687683.db2.gz ZJSFZXFRGPHOGJ-UHFFFAOYSA-N 1 2 342.365 2.256 20 30 EEEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(Cl)ccnc1OC)CC2 ZINC001273936007 1368908431 /nfs/dbraw/zinc/90/84/31/1368908431.db2.gz FRHZVIJLPQBGHP-AWEZNQCLSA-N 1 2 347.846 2.095 20 30 EEEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1=S ZINC000794638784 1369583768 /nfs/dbraw/zinc/58/37/68/1369583768.db2.gz HLKOYDOCVFTAKX-UONOGXRCSA-N 1 2 335.477 2.113 20 30 EEEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1=S ZINC000794638784 1369583776 /nfs/dbraw/zinc/58/37/76/1369583776.db2.gz HLKOYDOCVFTAKX-UONOGXRCSA-N 1 2 335.477 2.113 20 30 EEEDLO C=CCCC(=O)NC[C@]1(C)CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001110919908 1369859344 /nfs/dbraw/zinc/85/93/44/1369859344.db2.gz KSXVJDOJBMEJON-SFHVURJKSA-N 1 2 342.447 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCc2ccc(C(N)=O)cc2)C1 ZINC001389386102 1388091240 /nfs/dbraw/zinc/09/12/40/1388091240.db2.gz TUUWUKMSIOBNID-MRXNPFEDSA-N 1 2 349.862 2.051 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCc2ccc(C(N)=O)cc2)C1 ZINC001389386102 1388091247 /nfs/dbraw/zinc/09/12/47/1388091247.db2.gz TUUWUKMSIOBNID-MRXNPFEDSA-N 1 2 349.862 2.051 20 30 EEEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1nncn1C)C2 ZINC001111765131 1371248225 /nfs/dbraw/zinc/24/82/25/1371248225.db2.gz VMUISAQXSGMQKL-VKJFTORMSA-N 1 2 331.464 2.203 20 30 EEEDLO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1nncn1C)C2 ZINC001111765131 1371248229 /nfs/dbraw/zinc/24/82/29/1371248229.db2.gz VMUISAQXSGMQKL-VKJFTORMSA-N 1 2 331.464 2.203 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC1(CNc2cc[nH+]c(C)n2)CCOCC1 ZINC001112262929 1371377268 /nfs/dbraw/zinc/37/72/68/1371377268.db2.gz MGSGAWILMODZOY-HNNXBMFYSA-N 1 2 332.448 2.465 20 30 EEEDLO Cc1cc(C)c(CNC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)c[nH+]1 ZINC001117995287 1371772003 /nfs/dbraw/zinc/77/20/03/1371772003.db2.gz VRDMCTJJTKZPRV-CQSZACIVSA-N 1 2 336.395 2.064 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC(OC)CC1 ZINC001122625681 1372066448 /nfs/dbraw/zinc/06/64/48/1372066448.db2.gz JQUDRFCDGHUHJS-UHFFFAOYSA-N 1 2 333.480 2.455 20 30 EEEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2[nH]nc3ccc(OC)cc32)C1 ZINC001140071728 1372540163 /nfs/dbraw/zinc/54/01/63/1372540163.db2.gz WQVWQAGNFAYCRL-ZDUSSCGKSA-N 1 2 344.415 2.448 20 30 EEEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2[nH]nc3ccc(OC)cc32)C1 ZINC001140071728 1372540166 /nfs/dbraw/zinc/54/01/66/1372540166.db2.gz WQVWQAGNFAYCRL-ZDUSSCGKSA-N 1 2 344.415 2.448 20 30 EEEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)C#CC2CC2)c2ccc(Cl)cc2)C1 ZINC000837505457 1372788454 /nfs/dbraw/zinc/78/84/54/1372788454.db2.gz IRLCKYAHPYPLNH-FUHWJXTLSA-N 1 2 332.831 2.241 20 30 EEEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)C#CC2CC2)c2ccc(Cl)cc2)C1 ZINC000837505457 1372788459 /nfs/dbraw/zinc/78/84/59/1372788459.db2.gz IRLCKYAHPYPLNH-FUHWJXTLSA-N 1 2 332.831 2.241 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC001364064423 1373580643 /nfs/dbraw/zinc/58/06/43/1373580643.db2.gz QGWBCVOENGVVLW-MRXNPFEDSA-N 1 2 335.473 2.218 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC001364064423 1373580646 /nfs/dbraw/zinc/58/06/46/1373580646.db2.gz QGWBCVOENGVVLW-MRXNPFEDSA-N 1 2 335.473 2.218 20 30 EEEDLO C[C@H]1CN(c2cccc(C[N@H+](C)CC3(C#N)CC3)c2)S(=O)(=O)C1 ZINC001365296039 1373694988 /nfs/dbraw/zinc/69/49/88/1373694988.db2.gz ZDNHOPJPFVUOQS-AWEZNQCLSA-N 1 2 333.457 2.208 20 30 EEEDLO C[C@H]1CN(c2cccc(C[N@@H+](C)CC3(C#N)CC3)c2)S(=O)(=O)C1 ZINC001365296039 1373694998 /nfs/dbraw/zinc/69/49/98/1373694998.db2.gz ZDNHOPJPFVUOQS-AWEZNQCLSA-N 1 2 333.457 2.208 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)COc2ccc3c(c2)CCC3)C1 ZINC001366001699 1373788009 /nfs/dbraw/zinc/78/80/09/1373788009.db2.gz LLMJXOFXMQWJBF-INIZCTEOSA-N 1 2 334.847 2.497 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)COc2ccc3c(c2)CCC3)C1 ZINC001366001699 1373788017 /nfs/dbraw/zinc/78/80/17/1373788017.db2.gz LLMJXOFXMQWJBF-INIZCTEOSA-N 1 2 334.847 2.497 20 30 EEEDLO CCCN(C(=O)[C@@H](C)C#N)C1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC001370088204 1374796033 /nfs/dbraw/zinc/79/60/33/1374796033.db2.gz LCVFVRDNSVZLMY-HNNXBMFYSA-N 1 2 329.448 2.148 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1n[nH]c2c1C[C@@H](C)CC2)C1CC1 ZINC001372892225 1376273172 /nfs/dbraw/zinc/27/31/72/1376273172.db2.gz VQISFMQFDKRHHP-NSHDSACASA-N 1 2 336.867 2.481 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)c1n[nH]c2c1C[C@@H](C)CC2)C1CC1 ZINC001372892225 1376273179 /nfs/dbraw/zinc/27/31/79/1376273179.db2.gz VQISFMQFDKRHHP-NSHDSACASA-N 1 2 336.867 2.481 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CCC(=O)N(CC)CC ZINC001390131024 1388452037 /nfs/dbraw/zinc/45/20/37/1388452037.db2.gz IBOPKCCJIVIDBI-OAHLLOKOSA-N 1 2 343.899 2.358 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCC(=O)N(CC)CC ZINC001390131024 1388452038 /nfs/dbraw/zinc/45/20/38/1388452038.db2.gz IBOPKCCJIVIDBI-OAHLLOKOSA-N 1 2 343.899 2.358 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)c1 ZINC001374269312 1376634245 /nfs/dbraw/zinc/63/42/45/1376634245.db2.gz UNCQZJHOYGZEMR-GOSISDBHSA-N 1 2 338.386 2.471 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H](OC)C2CC2)CC1 ZINC001376016196 1378233547 /nfs/dbraw/zinc/23/35/47/1378233547.db2.gz RGLKLRPUEVQTEL-AWEZNQCLSA-N 1 2 345.281 2.243 20 30 EEEDLO C[N@H+](CCNC(=O)COCC1CCCC1)Cc1cc(C#N)ccc1F ZINC001377168150 1379013943 /nfs/dbraw/zinc/01/39/43/1379013943.db2.gz BFYWWOLSANPGRD-UHFFFAOYSA-N 1 2 347.434 2.452 20 30 EEEDLO C[N@@H+](CCNC(=O)COCC1CCCC1)Cc1cc(C#N)ccc1F ZINC001377168150 1379013945 /nfs/dbraw/zinc/01/39/45/1379013945.db2.gz BFYWWOLSANPGRD-UHFFFAOYSA-N 1 2 347.434 2.452 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC[N@H+](Cc1cc(-c2ccco2)on1)C1CC1 ZINC001377520551 1379328096 /nfs/dbraw/zinc/32/80/96/1379328096.db2.gz VAECEXSTLXECRM-LBPRGKRZSA-N 1 2 328.372 2.175 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](Cc1cc(-c2ccco2)on1)C1CC1 ZINC001377520551 1379328108 /nfs/dbraw/zinc/32/81/08/1379328108.db2.gz VAECEXSTLXECRM-LBPRGKRZSA-N 1 2 328.372 2.175 20 30 EEEDLO C[C@H](C#N)C(=O)NCC[N@H+](Cc1cc(-c2ccco2)on1)C1CC1 ZINC001377520545 1379328375 /nfs/dbraw/zinc/32/83/75/1379328375.db2.gz VAECEXSTLXECRM-GFCCVEGCSA-N 1 2 328.372 2.175 20 30 EEEDLO C[C@H](C#N)C(=O)NCC[N@@H+](Cc1cc(-c2ccco2)on1)C1CC1 ZINC001377520545 1379328389 /nfs/dbraw/zinc/32/83/89/1379328389.db2.gz VAECEXSTLXECRM-GFCCVEGCSA-N 1 2 328.372 2.175 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(-n2cnnc2)cc1 ZINC001378169448 1379750469 /nfs/dbraw/zinc/75/04/69/1379750469.db2.gz QBBWRGVHNTUFJU-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(-n2cnnc2)cc1 ZINC001378169448 1379750477 /nfs/dbraw/zinc/75/04/77/1379750477.db2.gz QBBWRGVHNTUFJU-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CN2CCc3ccccc32)C1 ZINC001378585328 1380085251 /nfs/dbraw/zinc/08/52/51/1380085251.db2.gz LEAZPJJJUWUFOS-AWEZNQCLSA-N 1 2 333.863 2.238 20 30 EEEDLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N)c(F)c1 ZINC001379032841 1380409425 /nfs/dbraw/zinc/40/94/25/1380409425.db2.gz NLNGKAVCKILBOF-UONOGXRCSA-N 1 2 348.422 2.011 20 30 EEEDLO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N)c(F)c1 ZINC001379032841 1380409430 /nfs/dbraw/zinc/40/94/30/1380409430.db2.gz NLNGKAVCKILBOF-UONOGXRCSA-N 1 2 348.422 2.011 20 30 EEEDLO Cc1nnc([C@@H](C)[NH2+]CCN(Cc2ccccc2)C(=O)[C@H](C)C#N)o1 ZINC001380703048 1381348331 /nfs/dbraw/zinc/34/83/31/1381348331.db2.gz BTHYJELLOKYOIZ-ZIAGYGMSSA-N 1 2 341.415 2.217 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nsc(N(C)C)n3)C2)CCC1 ZINC001752663908 1406330482 /nfs/dbraw/zinc/33/04/82/1406330482.db2.gz LWBBRFPGMQJVGN-JOCQHMNTSA-N 1 2 349.504 2.087 20 30 EEEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001391189320 1389112234 /nfs/dbraw/zinc/11/22/34/1389112234.db2.gz DWTMVNPYLXGVRX-QRVBRYPASA-N 1 2 339.439 2.206 20 30 EEEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001391189320 1389112238 /nfs/dbraw/zinc/11/22/38/1389112238.db2.gz DWTMVNPYLXGVRX-QRVBRYPASA-N 1 2 339.439 2.206 20 30 EEEDLO COCC1(C(=O)N[C@@H](C)C2C[NH+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001394265235 1390664584 /nfs/dbraw/zinc/66/45/84/1390664584.db2.gz WGCQONOMFOHLPQ-ZDUSSCGKSA-N 1 2 345.418 2.060 20 30 EEEDLO C[C@H](CC#N)N(C)c1nnc(C(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001395911252 1390877468 /nfs/dbraw/zinc/87/74/68/1390877468.db2.gz OFQAMRZOHOYFOE-HUUCEWRRSA-N 1 2 348.495 2.035 20 30 EEEDLO C[C@H](CC#N)N(C)c1nnc(C(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001395911252 1390877470 /nfs/dbraw/zinc/87/74/70/1390877470.db2.gz OFQAMRZOHOYFOE-HUUCEWRRSA-N 1 2 348.495 2.035 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cnnn2CC)CC1(C)C ZINC001755411199 1407426071 /nfs/dbraw/zinc/42/60/71/1407426071.db2.gz IILFYBYZXHBTHU-OAHLLOKOSA-N 1 2 333.480 2.227 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cnnn2CC)CC1(C)C ZINC001755411199 1407426073 /nfs/dbraw/zinc/42/60/73/1407426073.db2.gz IILFYBYZXHBTHU-OAHLLOKOSA-N 1 2 333.480 2.227 20 30 EEEDLO CO[C@H](CC(C)C)C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001399564717 1395255174 /nfs/dbraw/zinc/25/51/74/1395255174.db2.gz GKWXIOKFXMANQT-QGZVFWFLSA-N 1 2 335.423 2.306 20 30 EEEDLO CO[C@H](CC(C)C)C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001399564717 1395255185 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C=CCCCC(=O)N(CCN(C)c1[nH+]cnc2c1cnn2C)C(C)C ZINC001125665870 760989566 /nfs/dbraw/zinc/98/95/66/760989566.db2.gz ZIHFHFRHNPJNLP-UHFFFAOYSA-N 1 2 344.463 2.393 20 30 EEEDLO C#Cc1cccc(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000783018601 765014628 /nfs/dbraw/zinc/01/46/28/765014628.db2.gz WHKITCKCTSIGOU-UHFFFAOYSA-N 1 2 330.347 2.431 20 30 EEEDLO C=CCCC(=O)N[C@H](CNc1[nH+]cnc2c1cnn2C)C(C)(C)C ZINC001125867243 765262994 /nfs/dbraw/zinc/26/29/94/765262994.db2.gz GURBVHLOVQLXCQ-CYBMUJFWSA-N 1 2 330.436 2.272 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@@H](C)N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001104851683 765425376 /nfs/dbraw/zinc/42/53/76/765425376.db2.gz WWDJYDJBZSDPDQ-GXTWGEPZSA-N 1 2 340.431 2.122 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@@H](C)N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001104851683 765425386 /nfs/dbraw/zinc/42/53/86/765425386.db2.gz WWDJYDJBZSDPDQ-GXTWGEPZSA-N 1 2 340.431 2.122 20 30 EEEDLO C=CCCC(=O)N[C@@H](CNc1[nH+]cnc2c1cnn2C)CC(C)C ZINC001104912732 765549410 /nfs/dbraw/zinc/54/94/10/765549410.db2.gz BUAWRQFOBYFEPJ-CYBMUJFWSA-N 1 2 330.436 2.272 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](CNc2cc[nH+]c(C)n2)CC(C)C)nc1 ZINC001104955737 765658731 /nfs/dbraw/zinc/65/87/31/765658731.db2.gz JAJNHZYXORYREA-MRXNPFEDSA-N 1 2 337.427 2.418 20 30 EEEDLO CC(C)C[C@@H](CNc1ccc(C#N)nc1)NC(=O)CCn1cc[nH+]c1 ZINC001104977440 765716889 /nfs/dbraw/zinc/71/68/89/765716889.db2.gz NHFRONRJTGWVJX-KRWDZBQOSA-N 1 2 340.431 2.183 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2oc(C(C)C)nc2C)C[C@H]1NC(=O)C#CC(C)C ZINC001212233962 769130731 /nfs/dbraw/zinc/13/07/31/769130731.db2.gz KFAGCDCTFHPVIM-NVXWUHKLSA-N 1 2 347.459 2.081 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2oc(C(C)C)nc2C)C[C@H]1NC(=O)C#CC(C)C ZINC001212233962 769130734 /nfs/dbraw/zinc/13/07/34/769130734.db2.gz KFAGCDCTFHPVIM-NVXWUHKLSA-N 1 2 347.459 2.081 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)C(C)C ZINC001105225966 769387437 /nfs/dbraw/zinc/38/74/37/769387437.db2.gz ZEOPKPUDPOSHQE-GDBMZVCRSA-N 1 2 344.459 2.253 20 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2.203 20 30 EEEDLO Cc1[nH]nc(Cl)c1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031721054 773627747 /nfs/dbraw/zinc/62/77/47/773627747.db2.gz NZAIMFBNNNGNPD-UHFFFAOYSA-N 1 2 342.830 2.085 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3[nH]nc4c3CCC4)C[C@H]2C1 ZINC000980144960 773944200 /nfs/dbraw/zinc/94/42/00/773944200.db2.gz JSNXXHGXIGOJIJ-IHRRRGAJSA-N 1 2 348.878 2.481 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3[nH]nc4c3CCC4)C[C@H]2C1 ZINC000980144960 773944209 /nfs/dbraw/zinc/94/42/09/773944209.db2.gz JSNXXHGXIGOJIJ-IHRRRGAJSA-N 1 2 348.878 2.481 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]([N@H+](C)Cc2coc(C)n2)C1 ZINC000980271639 774227109 /nfs/dbraw/zinc/22/71/09/774227109.db2.gz WEYRHGVIQXNKRH-LJQANCHMSA-N 1 2 337.423 2.240 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]([N@@H+](C)Cc2coc(C)n2)C1 ZINC000980271639 774227113 /nfs/dbraw/zinc/22/71/13/774227113.db2.gz WEYRHGVIQXNKRH-LJQANCHMSA-N 1 2 337.423 2.240 20 30 EEEDLO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)C[C@H](O)CC#N 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ZGQYWUMTWUMCJR-HOCLYGCPSA-N 1 2 328.403 2.042 20 30 EEEDLO COC1CC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cc(F)ccc2C#N)C1 ZINC001027955222 774998163 /nfs/dbraw/zinc/99/81/63/774998163.db2.gz HJCGGVNKTVIVPD-ZCDVPAHGSA-N 1 2 345.418 2.203 20 30 EEEDLO COC1CC(C(=O)NC[C@H]2CCC[N@H+]2Cc2cc(F)ccc2C#N)C1 ZINC001027955222 774998166 /nfs/dbraw/zinc/99/81/66/774998166.db2.gz HJCGGVNKTVIVPD-ZCDVPAHGSA-N 1 2 345.418 2.203 20 30 EEEDLO O=C(c1ccon1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000980773276 775570628 /nfs/dbraw/zinc/57/06/28/775570628.db2.gz REDXVQXKQZMKNM-UHFFFAOYSA-N 1 2 327.359 2.013 20 30 EEEDLO O=C(c1ccon1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000980773276 775570634 /nfs/dbraw/zinc/57/06/34/775570634.db2.gz REDXVQXKQZMKNM-UHFFFAOYSA-N 1 2 327.359 2.013 20 30 EEEDLO CO[C@@H]1CCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031792375 775732404 /nfs/dbraw/zinc/73/24/04/775732404.db2.gz HBTYKLNEUYVAFR-RTBURBONSA-N 1 2 344.430 2.040 20 30 EEEDLO Cc1cc(N2CC=C(CCNC(=O)[C@H](C)C#N)CC2)nc(C2CC2)[nH+]1 ZINC001089815385 776361715 /nfs/dbraw/zinc/36/17/15/776361715.db2.gz VXPAFWUGRSAOFO-CYBMUJFWSA-N 1 2 339.443 2.465 20 30 EEEDLO O=C(C1CCC(O)CC1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981070025 776472775 /nfs/dbraw/zinc/47/27/75/776472775.db2.gz IDYWQZUADNMNJT-UHFFFAOYSA-N 1 2 340.467 2.124 20 30 EEEDLO O=C(C1CCC(O)CC1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981070025 776472779 /nfs/dbraw/zinc/47/27/79/776472779.db2.gz IDYWQZUADNMNJT-UHFFFAOYSA-N 1 2 340.467 2.124 20 30 EEEDLO O=C([C@H]1CC1(F)F)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981113143 776521050 /nfs/dbraw/zinc/52/10/50/776521050.db2.gz MBHZJHFIIZEUGQ-MRXNPFEDSA-N 1 2 336.357 2.367 20 30 EEEDLO O=C([C@H]1CC1(F)F)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981113143 776521052 /nfs/dbraw/zinc/52/10/52/776521052.db2.gz MBHZJHFIIZEUGQ-MRXNPFEDSA-N 1 2 336.357 2.367 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000939482702 776692650 /nfs/dbraw/zinc/69/26/50/776692650.db2.gz QUZPSAPGCIHGHF-LIRRHRJNSA-N 1 2 346.475 2.349 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccnc2[nH]c(CC)nc21 ZINC001028045613 776743889 /nfs/dbraw/zinc/74/38/89/776743889.db2.gz MRAFLINLQYNSJZ-LBPRGKRZSA-N 1 2 347.850 2.467 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc2[nH]c(CC)nc21 ZINC001028045613 776743895 /nfs/dbraw/zinc/74/38/95/776743895.db2.gz MRAFLINLQYNSJZ-LBPRGKRZSA-N 1 2 347.850 2.467 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)c2nc(C)no2)cc1 ZINC001028066692 776962392 /nfs/dbraw/zinc/96/23/92/776962392.db2.gz GPHLMAFXFWNFDL-GUYCJALGSA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)c2nc(C)no2)cc1 ZINC001028066692 776962399 /nfs/dbraw/zinc/96/23/99/776962399.db2.gz GPHLMAFXFWNFDL-GUYCJALGSA-N 1 2 338.411 2.315 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[N@@H+](Cc2cnc(C)nc2)CC1 ZINC000981337445 777196080 /nfs/dbraw/zinc/19/60/80/777196080.db2.gz OMAMOHZGULYZML-UHFFFAOYSA-N 1 2 339.443 2.121 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[N@H+](Cc2cnc(C)nc2)CC1 ZINC000981337445 777196088 /nfs/dbraw/zinc/19/60/88/777196088.db2.gz OMAMOHZGULYZML-UHFFFAOYSA-N 1 2 339.443 2.121 20 30 EEEDLO C[C@@H]1CO[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC001031857618 777607782 /nfs/dbraw/zinc/60/77/82/777607782.db2.gz DGLCBUKHQYHSHB-KBXCAEBGSA-N 1 2 346.858 2.165 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC000981608120 777768607 /nfs/dbraw/zinc/76/86/07/777768607.db2.gz PXBSXEJWFVYYHN-JKSUJKDBSA-N 1 2 326.868 2.336 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC000981608120 777768613 /nfs/dbraw/zinc/76/86/13/777768613.db2.gz PXBSXEJWFVYYHN-JKSUJKDBSA-N 1 2 326.868 2.336 20 30 EEEDLO C[C@@H]1CO[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000981643824 777901940 /nfs/dbraw/zinc/90/19/40/777901940.db2.gz BETJUQHFCDBLPB-KSSFIOAISA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1CO[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000981643824 777901946 /nfs/dbraw/zinc/90/19/46/777901946.db2.gz BETJUQHFCDBLPB-KSSFIOAISA-N 1 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C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(-c4ccco4)on3)C[C@H]21 ZINC001075620934 779644624 /nfs/dbraw/zinc/64/46/24/779644624.db2.gz IYCDEMWHZGAUNC-KCQAQPDRSA-N 1 2 340.383 2.127 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(-c4ccco4)on3)C[C@H]21 ZINC001075620934 779644628 /nfs/dbraw/zinc/64/46/28/779644628.db2.gz IYCDEMWHZGAUNC-KCQAQPDRSA-N 1 2 340.383 2.127 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2nc(C)oc2C)cn1 ZINC001028270498 779836247 /nfs/dbraw/zinc/83/62/47/779836247.db2.gz LHXCOVNCMSURGC-QGZVFWFLSA-N 1 2 338.411 2.062 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2nc(C)oc2C)cn1 ZINC001028270498 779836253 /nfs/dbraw/zinc/83/62/53/779836253.db2.gz LHXCOVNCMSURGC-QGZVFWFLSA-N 1 2 338.411 2.062 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCCN(C(=O)c3nccs3)CC2)c1 ZINC000982457337 780424104 /nfs/dbraw/zinc/42/41/04/780424104.db2.gz LFIHLGJVTFDDHO-UHFFFAOYSA-N 1 2 326.425 2.363 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)c3nccs3)CC2)c1 ZINC000982457337 780424110 /nfs/dbraw/zinc/42/41/10/780424110.db2.gz LFIHLGJVTFDDHO-UHFFFAOYSA-N 1 2 326.425 2.363 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001028336511 780811041 /nfs/dbraw/zinc/81/10/41/780811041.db2.gz GVTQSUWEPQYSKZ-GFCCVEGCSA-N 1 2 335.791 2.480 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001028336511 780811047 /nfs/dbraw/zinc/81/10/47/780811047.db2.gz GVTQSUWEPQYSKZ-GFCCVEGCSA-N 1 2 335.791 2.480 20 30 EEEDLO CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001211771171 780879421 /nfs/dbraw/zinc/87/94/21/780879421.db2.gz QVLAABPDFVDBPV-IAGOWNOFSA-N 1 2 334.847 2.307 20 30 EEEDLO CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1OC ZINC001211771171 780879422 /nfs/dbraw/zinc/87/94/22/780879422.db2.gz QVLAABPDFVDBPV-IAGOWNOFSA-N 1 2 334.847 2.307 20 30 EEEDLO CCN(CCNc1cc(C)ncc1C#N)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001106990425 783234299 /nfs/dbraw/zinc/23/42/99/783234299.db2.gz KVNDQPHWBABBRZ-UHFFFAOYSA-N 1 2 348.410 2.134 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001033282910 783341503 /nfs/dbraw/zinc/34/15/03/783341503.db2.gz RVRVKVRVTLQCDN-LBPRGKRZSA-N 1 2 333.823 2.165 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001033282910 783341512 /nfs/dbraw/zinc/34/15/12/783341512.db2.gz RVRVKVRVTLQCDN-LBPRGKRZSA-N 1 2 333.823 2.165 20 30 EEEDLO CCCCc1nc(C[NH2+][C@H]2CCCCCN(C(=O)[C@@H](C)C#N)C2)no1 ZINC001088280436 783345567 /nfs/dbraw/zinc/34/55/67/783345567.db2.gz QVBXTWAKEGLAPW-GJZGRUSLSA-N 1 2 347.463 2.433 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCCCC[C@H]([NH2+]Cc2noc(C(C)(C)C)n2)C1 ZINC001088280541 783347208 /nfs/dbraw/zinc/34/72/08/783347208.db2.gz UELUYFBGZIPCRM-KBPBESRZSA-N 1 2 347.463 2.388 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001091480147 790962156 /nfs/dbraw/zinc/96/21/56/790962156.db2.gz IZOACEYOUITDOP-JYJNAYRXSA-N 1 2 344.459 2.253 20 30 EEEDLO C=CCCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001060379007 790995335 /nfs/dbraw/zinc/99/53/35/790995335.db2.gz MFPOSUOQAHCBMV-HUUCEWRRSA-N 1 2 344.459 2.151 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)CC1 ZINC000945484133 784168829 /nfs/dbraw/zinc/16/88/29/784168829.db2.gz UHSBRGMJZYUADS-ZBFHGGJFSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)CC1 ZINC000945499629 784216858 /nfs/dbraw/zinc/21/68/58/784216858.db2.gz LJPOHQQHULMRQP-HOCLYGCPSA-N 1 2 344.459 2.052 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2nc3ccccc3cc2C)C1 ZINC001035446099 784542971 /nfs/dbraw/zinc/54/29/71/784542971.db2.gz IZNCVWGREKVZEE-INIZCTEOSA-N 1 2 325.412 2.160 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2nc3ccccc3cc2C)C1 ZINC001035446099 784542973 /nfs/dbraw/zinc/54/29/73/784542973.db2.gz IZNCVWGREKVZEE-INIZCTEOSA-N 1 2 325.412 2.160 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001035543553 784651206 /nfs/dbraw/zinc/65/12/06/784651206.db2.gz VKDGFUZOGRZFRM-GBESFXJTSA-N 1 2 344.455 2.192 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001035543553 784651208 /nfs/dbraw/zinc/65/12/08/784651208.db2.gz VKDGFUZOGRZFRM-GBESFXJTSA-N 1 2 344.455 2.192 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3nc(C)sc3c2)C1 ZINC001035567157 784696315 /nfs/dbraw/zinc/69/63/15/784696315.db2.gz NMOGZVXGQLZBHL-AWEZNQCLSA-N 1 2 331.441 2.221 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc3nc(C)sc3c2)C1 ZINC001035567157 784696317 /nfs/dbraw/zinc/69/63/17/784696317.db2.gz NMOGZVXGQLZBHL-AWEZNQCLSA-N 1 2 331.441 2.221 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3ncsc3c2)C1 ZINC001035596934 784751283 /nfs/dbraw/zinc/75/12/83/784751283.db2.gz JCKMOXUXYBEYQZ-AWEZNQCLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc3ncsc3c2)C1 ZINC001035596934 784751286 /nfs/dbraw/zinc/75/12/86/784751286.db2.gz JCKMOXUXYBEYQZ-AWEZNQCLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc3ncsc3c2)C1 ZINC001035596935 784751382 /nfs/dbraw/zinc/75/13/82/784751382.db2.gz JCKMOXUXYBEYQZ-CQSZACIVSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc3ncsc3c2)C1 ZINC001035596935 784751385 /nfs/dbraw/zinc/75/13/85/784751385.db2.gz JCKMOXUXYBEYQZ-CQSZACIVSA-N 1 2 331.441 2.303 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc3c(s2)CC[C@@H](C)C3)C1 ZINC001035602498 784763295 /nfs/dbraw/zinc/76/32/95/784763295.db2.gz IYZHSULFGUOPMT-GDBMZVCRSA-N 1 2 346.496 2.327 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc3c(s2)CC[C@@H](C)C3)C1 ZINC001035602498 784763305 /nfs/dbraw/zinc/76/33/05/784763305.db2.gz IYZHSULFGUOPMT-GDBMZVCRSA-N 1 2 346.496 2.327 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2coc(-c3ccccc3)n2)C1 ZINC001035580900 784779631 /nfs/dbraw/zinc/77/96/31/784779631.db2.gz RUCMIHORBOAYFS-MRXNPFEDSA-N 1 2 341.411 2.348 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2coc(-c3ccccc3)n2)C1 ZINC001035580900 784779638 /nfs/dbraw/zinc/77/96/38/784779638.db2.gz RUCMIHORBOAYFS-MRXNPFEDSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC001035584566 784788308 /nfs/dbraw/zinc/78/83/08/784788308.db2.gz VPTQYBGQCQUCIM-AWEZNQCLSA-N 1 2 328.334 2.322 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC001035584566 784788312 /nfs/dbraw/zinc/78/83/12/784788312.db2.gz VPTQYBGQCQUCIM-AWEZNQCLSA-N 1 2 328.334 2.322 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC2(C[NH+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001035672398 784964083 /nfs/dbraw/zinc/96/40/83/784964083.db2.gz HHXSQLSHYYCNGP-AWEZNQCLSA-N 1 2 340.402 2.281 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC2(C[NH+](Cc3ccnc(Cl)c3)C2)CC1 ZINC001035672831 784965463 /nfs/dbraw/zinc/96/54/63/784965463.db2.gz JRDPOULAJSRRLW-ZDUSSCGKSA-N 1 2 332.835 2.319 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)CC2 ZINC001035752168 785059353 /nfs/dbraw/zinc/05/93/53/785059353.db2.gz CRGOQYQXDRCXTD-HRCADAONSA-N 1 2 338.879 2.478 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001078994308 785080849 /nfs/dbraw/zinc/08/08/49/785080849.db2.gz BOZSLHZELUOXOS-MRXNPFEDSA-N 1 2 332.448 2.079 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C)[C@@H]1CCCO1)CC2 ZINC001035788637 785130911 /nfs/dbraw/zinc/13/09/11/785130911.db2.gz GIXKUTQSSGFOFS-CABCVRRESA-N 1 2 326.868 2.478 20 30 EEEDLO C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC001170909038 785285458 /nfs/dbraw/zinc/28/54/58/785285458.db2.gz SAVYKCRUGCXRBO-VXGBXAGGSA-N 1 2 328.350 2.354 20 30 EEEDLO C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001170909038 785285464 /nfs/dbraw/zinc/28/54/64/785285464.db2.gz SAVYKCRUGCXRBO-VXGBXAGGSA-N 1 2 328.350 2.354 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@H](C)C(C)(C)C)nn2)C1 ZINC001107231697 786534733 /nfs/dbraw/zinc/53/47/33/786534733.db2.gz LQKAAZPPRXKHFJ-AWEZNQCLSA-N 1 2 333.480 2.399 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)c3ccc(C)s3)nn2)C1 ZINC001107229364 786563014 /nfs/dbraw/zinc/56/30/14/786563014.db2.gz IVFWVKFQFOGMAD-CYBMUJFWSA-N 1 2 345.472 2.111 20 30 EEEDLO CCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2ccc(N)[nH+]c2)cc1 ZINC000821040257 786569900 /nfs/dbraw/zinc/56/99/00/786569900.db2.gz WZJXFVXNSSORMD-OQFOIZHKSA-N 1 2 331.397 2.322 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)CCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001109577609 805708590 /nfs/dbraw/zinc/70/85/90/805708590.db2.gz NQXGFANJHAHRCG-UHFFFAOYSA-N 1 2 334.468 2.109 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3ccnc(Cl)c3)C[C@@H]2O)C1 ZINC001090553888 786890925 /nfs/dbraw/zinc/89/09/25/786890925.db2.gz SVJYBHKJHCCUTK-CABCVRRESA-N 1 2 349.862 2.143 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ccnc(Cl)c3)C[C@@H]2O)C1 ZINC001090553888 786890937 /nfs/dbraw/zinc/89/09/37/786890937.db2.gz SVJYBHKJHCCUTK-CABCVRRESA-N 1 2 349.862 2.143 20 30 EEEDLO CCOC(=O)c1cc(NC(=[NH2+])c2ccc(C(=O)OC)cc2)cnc1F ZINC001170989158 787244827 /nfs/dbraw/zinc/24/48/27/787244827.db2.gz LYQVEOUWHIUCEG-UHFFFAOYSA-N 1 2 345.330 2.221 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+](Cc3nc(CCC)no3)C[C@@]2(C)C1 ZINC001101167391 787280135 /nfs/dbraw/zinc/28/01/35/787280135.db2.gz BKCDPUCITKBGDB-KDOFPFPSSA-N 1 2 332.448 2.269 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@H+](Cc3nc(CCC)no3)C[C@@]2(C)C1 ZINC001101167391 787280141 /nfs/dbraw/zinc/28/01/41/787280141.db2.gz BKCDPUCITKBGDB-KDOFPFPSSA-N 1 2 332.448 2.269 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001062060630 787280694 /nfs/dbraw/zinc/28/06/94/787280694.db2.gz XZDBLECZSNATIZ-OAHLLOKOSA-N 1 2 340.427 2.411 20 30 EEEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001062244004 787687978 /nfs/dbraw/zinc/68/79/78/787687978.db2.gz SCGJFAPVKRBTFE-OAHLLOKOSA-N 1 2 332.448 2.196 20 30 EEEDLO CC#CCCCC(=O)NC[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001062255819 787725964 /nfs/dbraw/zinc/72/59/64/787725964.db2.gz KHZYDHWGPKGWLI-QGZVFWFLSA-N 1 2 344.459 2.033 20 30 EEEDLO CC#CCCCC(=O)NC[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001062255819 787725972 /nfs/dbraw/zinc/72/59/72/787725972.db2.gz KHZYDHWGPKGWLI-QGZVFWFLSA-N 1 2 344.459 2.033 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001062332637 787909512 /nfs/dbraw/zinc/90/95/12/787909512.db2.gz OLFHWSDYOKUQFZ-DOTOQJQBSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001062332637 787909519 /nfs/dbraw/zinc/90/95/19/787909519.db2.gz OLFHWSDYOKUQFZ-DOTOQJQBSA-N 1 2 346.475 2.442 20 30 EEEDLO O=C(C#Cc1cccs1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000823991281 788010484 /nfs/dbraw/zinc/01/04/84/788010484.db2.gz VHCFQPZIGFSBGL-QGZVFWFLSA-N 1 2 340.448 2.117 20 30 EEEDLO O=C(C#Cc1cccs1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000823991281 788010491 /nfs/dbraw/zinc/01/04/91/788010491.db2.gz VHCFQPZIGFSBGL-QGZVFWFLSA-N 1 2 340.448 2.117 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2)[C@@H](O)C1 ZINC001090788218 788276493 /nfs/dbraw/zinc/27/64/93/788276493.db2.gz XHFRMISPQBVUDM-HOTGVXAUSA-N 1 2 336.863 2.268 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2)[C@@H](O)C1 ZINC001090788218 788276501 /nfs/dbraw/zinc/27/65/01/788276501.db2.gz XHFRMISPQBVUDM-HOTGVXAUSA-N 1 2 336.863 2.268 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079019997 788298638 /nfs/dbraw/zinc/29/86/38/788298638.db2.gz UXVXEDJVVCLXPT-OAHLLOKOSA-N 1 2 346.475 2.394 20 30 EEEDLO COC(=O)C1(C#N)CCN(Cc2c[nH+]c(C)n2-c2ccccc2)CC1 ZINC000824866704 788326173 /nfs/dbraw/zinc/32/61/73/788326173.db2.gz GWIBCBRHBHGKCK-UHFFFAOYSA-N 1 2 338.411 2.460 20 30 EEEDLO C=CCCC(=O)NC[C@@]1(C)C[N@H+](CCc2csc(C)n2)CCO1 ZINC001107802594 788503355 /nfs/dbraw/zinc/50/33/55/788503355.db2.gz VIONOGGOCRCELV-KRWDZBQOSA-N 1 2 337.489 2.167 20 30 EEEDLO C=CCCC(=O)NC[C@@]1(C)C[N@@H+](CCc2csc(C)n2)CCO1 ZINC001107802594 788503361 /nfs/dbraw/zinc/50/33/61/788503361.db2.gz VIONOGGOCRCELV-KRWDZBQOSA-N 1 2 337.489 2.167 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(c3ccccc3C)CC2)[C@@H](O)C1 ZINC001090843455 788525313 /nfs/dbraw/zinc/52/53/13/788525313.db2.gz IOULRAZAKXGIMK-SJORKVTESA-N 1 2 348.874 2.331 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(c3ccccc3C)CC2)[C@@H](O)C1 ZINC001090843455 788525321 /nfs/dbraw/zinc/52/53/21/788525321.db2.gz IOULRAZAKXGIMK-SJORKVTESA-N 1 2 348.874 2.331 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c(C)cccc2F)[C@@H](O)C1 ZINC001090843863 788529562 /nfs/dbraw/zinc/52/95/62/788529562.db2.gz LYJCKGNWXLXSAS-KGLIPLIRSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)cccc2F)[C@@H](O)C1 ZINC001090843863 788529571 /nfs/dbraw/zinc/52/95/71/788529571.db2.gz LYJCKGNWXLXSAS-KGLIPLIRSA-N 1 2 326.799 2.052 20 30 EEEDLO C=CCSc1ccccc1C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913462763 788904494 /nfs/dbraw/zinc/90/44/94/788904494.db2.gz OHCZGFXZHCPMDB-INIZCTEOSA-N 1 2 342.468 2.485 20 30 EEEDLO C#CCCCC(=O)NC[C@]1(C)C[N@H+](Cc2cccc(OC)c2)CCO1 ZINC001107901221 789189686 /nfs/dbraw/zinc/18/96/86/789189686.db2.gz LFVIQVWNUIGAHS-HXUWFJFHSA-N 1 2 344.455 2.206 20 30 EEEDLO C#CCCCC(=O)NC[C@]1(C)C[N@@H+](Cc2cccc(OC)c2)CCO1 ZINC001107901221 789189691 /nfs/dbraw/zinc/18/96/91/789189691.db2.gz LFVIQVWNUIGAHS-HXUWFJFHSA-N 1 2 344.455 2.206 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnc(C)s1 ZINC001032410200 789250316 /nfs/dbraw/zinc/25/03/16/789250316.db2.gz QCSDCTWLWLGGFB-DIECFANBSA-N 1 2 347.484 2.218 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnc(C)s1 ZINC001032410200 789250330 /nfs/dbraw/zinc/25/03/30/789250330.db2.gz QCSDCTWLWLGGFB-DIECFANBSA-N 1 2 347.484 2.218 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(F)cc3ccncc32)C1 ZINC001107951074 789746032 /nfs/dbraw/zinc/74/60/32/789746032.db2.gz FVFIKFWUYIUWGW-IBGZPJMESA-N 1 2 343.402 2.381 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(F)cc3ccncc32)C1 ZINC001107951074 789746035 /nfs/dbraw/zinc/74/60/35/789746035.db2.gz FVFIKFWUYIUWGW-IBGZPJMESA-N 1 2 343.402 2.381 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001107959392 789917929 /nfs/dbraw/zinc/91/79/29/789917929.db2.gz JUGKXLBAWYHUMO-LJQANCHMSA-N 1 2 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ZINC001080650793 796299424 /nfs/dbraw/zinc/29/94/24/796299424.db2.gz UZFRTKONDOWHKB-FZKQIMNGSA-N 1 2 341.386 2.470 20 30 EEEDLO CCN(CCNc1cc(C)[nH+]c(C2CC2)n1)C(=O)c1c[nH]c(C#N)c1 ZINC001106732773 796378243 /nfs/dbraw/zinc/37/82/43/796378243.db2.gz RXPVZHJONQGZPW-UHFFFAOYSA-N 1 2 338.415 2.436 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)Cc1ccc[nH]1 ZINC001080975226 796510526 /nfs/dbraw/zinc/51/05/26/796510526.db2.gz CPDKWJOQIJSMKK-FZKQIMNGSA-N 1 2 340.402 2.205 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)Cc1ccc[nH]1 ZINC001080975226 796510530 /nfs/dbraw/zinc/51/05/30/796510530.db2.gz CPDKWJOQIJSMKK-FZKQIMNGSA-N 1 2 340.402 2.205 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)nnn3C)[C@@H]1C ZINC000993479603 796728209 /nfs/dbraw/zinc/72/82/09/796728209.db2.gz ATYUGHFLSFDSLY-JSGCOSHPSA-N 1 2 347.850 2.304 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)nnn3C)[C@@H]1C ZINC000993479603 796728217 /nfs/dbraw/zinc/72/82/17/796728217.db2.gz ATYUGHFLSFDSLY-JSGCOSHPSA-N 1 2 347.850 2.304 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CC=CCC1 ZINC001081350530 796735914 /nfs/dbraw/zinc/73/59/14/796735914.db2.gz KQUZXSMSQQBYCD-IAOVAPTHSA-N 1 2 345.468 2.291 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CC=CCC1 ZINC001081350530 796735919 /nfs/dbraw/zinc/73/59/19/796735919.db2.gz KQUZXSMSQQBYCD-IAOVAPTHSA-N 1 2 345.468 2.291 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc(OCC)n[nH]2)[C@@H]1C ZINC000993493651 796774793 /nfs/dbraw/zinc/77/47/93/796774793.db2.gz PGLJAGDCQDZSAM-NWDGAFQWSA-N 1 2 326.828 2.144 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(OCC)n[nH]2)[C@@H]1C ZINC000993493651 796774796 /nfs/dbraw/zinc/77/47/96/796774796.db2.gz PGLJAGDCQDZSAM-NWDGAFQWSA-N 1 2 326.828 2.144 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)[C@H]1C ZINC000993647306 796871205 /nfs/dbraw/zinc/87/12/05/796871205.db2.gz NHSGTSPBTNMKNV-KSSFIOAISA-N 1 2 337.427 2.373 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@H]1C ZINC000993647306 796871208 /nfs/dbraw/zinc/87/12/08/796871208.db2.gz NHSGTSPBTNMKNV-KSSFIOAISA-N 1 2 337.427 2.373 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2c(C)c(C)n[nH]c2=O)[C@@H]1C ZINC000993665274 796890115 /nfs/dbraw/zinc/89/01/15/796890115.db2.gz UJZIHZAGWQDXGL-QWHCGFSZSA-N 1 2 338.839 2.134 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2c(C)c(C)n[nH]c2=O)[C@@H]1C ZINC000993665274 796890119 /nfs/dbraw/zinc/89/01/19/796890119.db2.gz UJZIHZAGWQDXGL-QWHCGFSZSA-N 1 2 338.839 2.134 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)oc2C2CC2)[C@H](OC)C1 ZINC001081969227 797049776 /nfs/dbraw/zinc/04/97/76/797049776.db2.gz DENGPVKNYKPWPV-SJLPKXTDSA-N 1 2 342.439 2.487 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)oc2C2CC2)[C@H](OC)C1 ZINC001081969227 797049785 /nfs/dbraw/zinc/04/97/85/797049785.db2.gz DENGPVKNYKPWPV-SJLPKXTDSA-N 1 2 342.439 2.487 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnc3cccnn32)[C@H]1C ZINC000993954715 797192822 /nfs/dbraw/zinc/19/28/22/797192822.db2.gz UXSOWVZRFSWGSG-CHWSQXEVSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnc3cccnn32)[C@H]1C ZINC000993954715 797192824 /nfs/dbraw/zinc/19/28/24/797192824.db2.gz UXSOWVZRFSWGSG-CHWSQXEVSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001082212889 797316043 /nfs/dbraw/zinc/31/60/43/797316043.db2.gz WGSDTNCLZHZGMJ-KRWDZBQOSA-N 1 2 346.475 2.206 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001082320217 797447897 /nfs/dbraw/zinc/44/78/97/797447897.db2.gz BZEHOYLHKDOPGV-HNNXBMFYSA-N 1 2 332.448 2.052 20 30 EEEDLO COC(=O)CCCC[C@@H](C)[NH2+][C@@H](Cc1ccc(C#N)cc1)C(=O)OC ZINC001173448402 797470791 /nfs/dbraw/zinc/47/07/91/797470791.db2.gz LENUNZCVBYRCRD-PBHICJAKSA-N 1 2 346.427 2.354 20 30 EEEDLO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2n[nH]c3ccc(C)cc32)[C@H](O)C1 ZINC001090390444 797763986 /nfs/dbraw/zinc/76/39/86/797763986.db2.gz HCRPMKTUAQBJLT-IAGOWNOFSA-N 1 2 342.443 2.003 20 30 EEEDLO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2n[nH]c3ccc(C)cc32)[C@H](O)C1 ZINC001090390444 797763990 /nfs/dbraw/zinc/76/39/90/797763990.db2.gz HCRPMKTUAQBJLT-IAGOWNOFSA-N 1 2 342.443 2.003 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccon2)[C@@H]1C ZINC000994294391 797776777 /nfs/dbraw/zinc/77/67/77/797776777.db2.gz FEYUADHQVPTTAW-DNVCBOLYSA-N 1 2 337.423 2.368 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccon2)[C@@H]1C ZINC000994294391 797776781 /nfs/dbraw/zinc/77/67/81/797776781.db2.gz FEYUADHQVPTTAW-DNVCBOLYSA-N 1 2 337.423 2.368 20 30 EEEDLO CC[C@@H](C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001083006058 797822598 /nfs/dbraw/zinc/82/25/98/797822598.db2.gz UOOOTTYGDATXNB-UHOFOFEASA-N 1 2 333.457 2.077 20 30 EEEDLO CC[C@@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001083006058 797822602 /nfs/dbraw/zinc/82/26/02/797822602.db2.gz UOOOTTYGDATXNB-UHOFOFEASA-N 1 2 333.457 2.077 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CCC2CCOCC2)C1 ZINC001150403733 797875444 /nfs/dbraw/zinc/87/54/44/797875444.db2.gz OBQXTGZLVPPEBS-MRXNPFEDSA-N 1 2 344.883 2.153 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CCC2CCOCC2)C1 ZINC001150403733 797875451 /nfs/dbraw/zinc/87/54/51/797875451.db2.gz OBQXTGZLVPPEBS-MRXNPFEDSA-N 1 2 344.883 2.153 20 30 EEEDLO C[C@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)CC1 ZINC001083972800 797944296 /nfs/dbraw/zinc/94/42/96/797944296.db2.gz LEHSQHJUFIQCCT-AFYVEPGGSA-N 1 2 340.467 2.026 20 30 EEEDLO C[C@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)CC1 ZINC001083972800 797944301 /nfs/dbraw/zinc/94/43/01/797944301.db2.gz LEHSQHJUFIQCCT-AFYVEPGGSA-N 1 2 340.467 2.026 20 30 EEEDLO C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)c1[nH]ncc1F ZINC001175134362 798010210 /nfs/dbraw/zinc/01/02/10/798010210.db2.gz JIYUTDPDPYTWTH-JTQLQIEISA-N 1 2 347.232 2.336 20 30 EEEDLO CS[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084196345 798048171 /nfs/dbraw/zinc/04/81/71/798048171.db2.gz GJTHXYHMOUXTIM-KBAYOESNSA-N 1 2 328.481 2.322 20 30 EEEDLO CS[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084196345 798048177 /nfs/dbraw/zinc/04/81/77/798048177.db2.gz GJTHXYHMOUXTIM-KBAYOESNSA-N 1 2 328.481 2.322 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2ncoc2C)CC1 ZINC001002423827 798060299 /nfs/dbraw/zinc/06/02/99/798060299.db2.gz NBXGPPNDSBMDHV-UHFFFAOYSA-N 1 2 328.210 2.086 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)oc1C ZINC001110184827 798074181 /nfs/dbraw/zinc/07/41/81/798074181.db2.gz YLHOUUOTJYBQSK-GUSZCTEKSA-N 1 2 333.432 2.104 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)oc1C ZINC001110184827 798074184 /nfs/dbraw/zinc/07/41/84/798074184.db2.gz YLHOUUOTJYBQSK-GUSZCTEKSA-N 1 2 333.432 2.104 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2ncoc2CC)CC1 ZINC001002485434 798141767 /nfs/dbraw/zinc/14/17/67/798141767.db2.gz LAKBOTMYVIGIAS-UHFFFAOYSA-N 1 2 342.237 2.340 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)C2)nc1 ZINC001061097088 798155552 /nfs/dbraw/zinc/15/55/52/798155552.db2.gz CFCHTYWNZKGLCE-HZPDHXFCSA-N 1 2 335.411 2.314 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cc(C4CC4)no3)[C@@H]2C1 ZINC001084400267 798197747 /nfs/dbraw/zinc/19/77/47/798197747.db2.gz PENWQGBKOVJRRE-CZUORRHYSA-N 1 2 335.835 2.380 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cc(C4CC4)no3)[C@@H]2C1 ZINC001084400267 798197752 /nfs/dbraw/zinc/19/77/52/798197752.db2.gz PENWQGBKOVJRRE-CZUORRHYSA-N 1 2 335.835 2.380 20 30 EEEDLO C[C@@H](C[C@H](C)Nc1ncccc1C#N)NC(=O)CCc1c[nH+]cn1C ZINC001089374747 798234325 /nfs/dbraw/zinc/23/43/25/798234325.db2.gz KYVSDIHRNDGNLK-KBPBESRZSA-N 1 2 340.431 2.015 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Oc3cccnc3)[C@@H]2C1 ZINC001084650276 798339985 /nfs/dbraw/zinc/33/99/85/798339985.db2.gz XLQZJYXMQMGNLZ-SQWLQELKSA-N 1 2 335.835 2.134 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Oc3cccnc3)[C@@H]2C1 ZINC001084650276 798339989 /nfs/dbraw/zinc/33/99/89/798339989.db2.gz XLQZJYXMQMGNLZ-SQWLQELKSA-N 1 2 335.835 2.134 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084726349 798406060 /nfs/dbraw/zinc/40/60/60/798406060.db2.gz SDEKMYXTNGDSAC-QZTJIDSGSA-N 1 2 349.438 2.245 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084726349 798406066 /nfs/dbraw/zinc/40/60/66/798406066.db2.gz SDEKMYXTNGDSAC-QZTJIDSGSA-N 1 2 349.438 2.245 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(C(C)C)nn2CC)C1 ZINC001108049850 798514718 /nfs/dbraw/zinc/51/47/18/798514718.db2.gz QHGQWYFLVIQSDO-SFHVURJKSA-N 1 2 334.464 2.033 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(C(C)C)nn2CC)C1 ZINC001108049850 798514722 /nfs/dbraw/zinc/51/47/22/798514722.db2.gz QHGQWYFLVIQSDO-SFHVURJKSA-N 1 2 334.464 2.033 20 30 EEEDLO C[C@H](C#N)C(=O)NCc1cnn2c1C[N@@H+]([C@H](C)c1ccccc1)CC2 ZINC001128264395 798572333 /nfs/dbraw/zinc/57/23/33/798572333.db2.gz MARVFOKKPSJXQP-HUUCEWRRSA-N 1 2 337.427 2.236 20 30 EEEDLO C[C@H](C#N)C(=O)NCc1cnn2c1C[N@H+]([C@H](C)c1ccccc1)CC2 ZINC001128264395 798572337 /nfs/dbraw/zinc/57/23/37/798572337.db2.gz MARVFOKKPSJXQP-HUUCEWRRSA-N 1 2 337.427 2.236 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001061147693 798621832 /nfs/dbraw/zinc/62/18/32/798621832.db2.gz XDKQOZQRULSZOM-OAHLLOKOSA-N 1 2 344.459 2.006 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C)oc3C)C[C@@H]21 ZINC001176899910 798640954 /nfs/dbraw/zinc/64/09/54/798640954.db2.gz DNWSZKJEDYNPAK-ROUUACIJSA-N 1 2 348.443 2.014 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C)oc3C)C[C@@H]21 ZINC001176899910 798640955 /nfs/dbraw/zinc/64/09/55/798640955.db2.gz DNWSZKJEDYNPAK-ROUUACIJSA-N 1 2 348.443 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C[C@@H]21 ZINC001085070463 798648957 /nfs/dbraw/zinc/64/89/57/798648957.db2.gz GTJBNPJIOMHZIC-CPUCHLNUSA-N 1 2 348.878 2.190 20 30 EEEDLO 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809245286 /nfs/dbraw/zinc/24/52/86/809245286.db2.gz VSJHSWIMHFGELZ-UHFFFAOYSA-N 1 2 346.324 2.203 20 30 EEEDLO C=CCCOCC(=O)N1CC[NH+](CCOC2CCCCCC2)CC1 ZINC001113710828 809614703 /nfs/dbraw/zinc/61/47/03/809614703.db2.gz VPDFNLOYWXSFHK-UHFFFAOYSA-N 1 2 338.492 2.463 20 30 EEEDLO C=CCC1(C(=O)NC[C@H](C)N(C)c2[nH+]cnc3c2cnn3C)CCC1 ZINC001113853457 809958500 /nfs/dbraw/zinc/95/85/00/809958500.db2.gz DBODBYZDKVMXFB-ZDUSSCGKSA-N 1 2 342.447 2.051 20 30 EEEDLO C[C@H](CC(=O)NC[C@H](C)N(C)c1cccc(F)c1C#N)n1cc[nH+]c1 ZINC001113903202 810040274 /nfs/dbraw/zinc/04/02/74/810040274.db2.gz VOZDUGYLYDPEBF-KGLIPLIRSA-N 1 2 343.406 2.486 20 30 EEEDLO CCSCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001113942271 810099172 /nfs/dbraw/zinc/09/91/72/810099172.db2.gz KXEKAPWQUKVSQH-VQFNDLOPSA-N 1 2 347.459 2.387 20 30 EEEDLO CCSCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001113942271 810099179 /nfs/dbraw/zinc/09/91/79/810099179.db2.gz KXEKAPWQUKVSQH-VQFNDLOPSA-N 1 2 347.459 2.387 20 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CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccn(C4CCCC4)n3)C[C@H]21 ZINC001114237639 810656633 /nfs/dbraw/zinc/65/66/33/810656633.db2.gz PNHKGCWZQTZRGU-RUYXUALKSA-N 1 2 340.471 2.204 20 30 EEEDLO CCc1nc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)(C)C)cs1 ZINC001114246391 810673416 /nfs/dbraw/zinc/67/34/16/810673416.db2.gz SFKHDTAUSRRXNY-HALDLXJZSA-N 1 2 331.485 2.301 20 30 EEEDLO CCc1nc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)(C)C)cs1 ZINC001114246391 810673418 /nfs/dbraw/zinc/67/34/18/810673418.db2.gz SFKHDTAUSRRXNY-HALDLXJZSA-N 1 2 331.485 2.301 20 30 EEEDLO C=CCOc1ccccc1C(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001130374444 811526393 /nfs/dbraw/zinc/52/63/93/811526393.db2.gz RQXZMQCYTMCMDL-UHFFFAOYSA-N 1 2 329.400 2.321 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)O[C@@]2(CC[N@@H+](Cc3nccn3CC)C2)C1 ZINC001131646049 813070765 /nfs/dbraw/zinc/07/07/65/813070765.db2.gz OZCWFSHGJNVILJ-QFBILLFUSA-N 1 2 346.475 2.061 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)O[C@@]2(CC[N@H+](Cc3nccn3CC)C2)C1 ZINC001131646049 813070774 /nfs/dbraw/zinc/07/07/74/813070774.db2.gz OZCWFSHGJNVILJ-QFBILLFUSA-N 1 2 346.475 2.061 20 30 EEEDLO Cc1cncc(C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)c1 ZINC001437451302 1089756328 /nfs/dbraw/zinc/75/63/28/1089756328.db2.gz QJBVTROPMTXBDJ-UHFFFAOYSA-N 1 2 326.375 2.263 20 30 EEEDLO Cc1cncc(C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)c1 ZINC001437451302 1089756339 /nfs/dbraw/zinc/75/63/39/1089756339.db2.gz QJBVTROPMTXBDJ-UHFFFAOYSA-N 1 2 326.375 2.263 20 30 EEEDLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N)c(C)c1 ZINC001438867737 1091506143 /nfs/dbraw/zinc/50/61/43/1091506143.db2.gz WJWWCTQNBZYIKC-JKSUJKDBSA-N 1 2 344.459 2.180 20 30 EEEDLO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N)c(C)c1 ZINC001438867737 1091506149 /nfs/dbraw/zinc/50/61/49/1091506149.db2.gz WJWWCTQNBZYIKC-JKSUJKDBSA-N 1 2 344.459 2.180 20 30 EEEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@@H]1CCCCO1 ZINC001438870004 1091509940 /nfs/dbraw/zinc/50/99/40/1091509940.db2.gz XIPLJQSTNIERDD-KRWDZBQOSA-N 1 2 333.407 2.157 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)[C@@H]1CCCCO1 ZINC001438870004 1091509948 /nfs/dbraw/zinc/50/99/48/1091509948.db2.gz XIPLJQSTNIERDD-KRWDZBQOSA-N 1 2 333.407 2.157 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1coc(C2CCOCC2)n1 ZINC001439391578 1092140375 /nfs/dbraw/zinc/14/03/75/1092140375.db2.gz OLNGRCHDSPNVNJ-GFCCVEGCSA-N 1 2 341.839 2.371 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1coc(C2CCOCC2)n1 ZINC001439391578 1092140378 /nfs/dbraw/zinc/14/03/78/1092140378.db2.gz OLNGRCHDSPNVNJ-GFCCVEGCSA-N 1 2 341.839 2.371 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C2(C)CCC2)cc1C#N ZINC001439553307 1092426144 /nfs/dbraw/zinc/42/61/44/1092426144.db2.gz VFJHTWRIYMVFHW-MRXNPFEDSA-N 1 2 327.428 2.448 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C2(C)CCC2)cc1C#N ZINC001439553307 1092426151 /nfs/dbraw/zinc/42/61/51/1092426151.db2.gz VFJHTWRIYMVFHW-MRXNPFEDSA-N 1 2 327.428 2.448 20 30 EEEDLO CCc1cnc(C[NH2+]Cc2ccc(CNC(=O)[C@H](C)C#N)c(F)c2)o1 ZINC001442264571 1096568107 /nfs/dbraw/zinc/56/81/07/1096568107.db2.gz ATKQEHDCBVYLIU-GFCCVEGCSA-N 1 2 344.390 2.442 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CCCN1C(=O)CCC)C1CC1 ZINC001443064487 1097474326 /nfs/dbraw/zinc/47/43/26/1097474326.db2.gz XCDFPNXSVLHMJL-HNNXBMFYSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1CCCN1C(=O)CCC)C1CC1 ZINC001443064487 1097474329 /nfs/dbraw/zinc/47/43/29/1097474329.db2.gz XCDFPNXSVLHMJL-HNNXBMFYSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Br)C[NH2+]C[C@H](C)N(C)C(=O)c1cc(C2CC2)[nH]n1 ZINC001444697314 1099550486 /nfs/dbraw/zinc/55/04/86/1099550486.db2.gz XSIRJTAAWMJNKG-JTQLQIEISA-N 1 2 341.253 2.246 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)Cc2n[nH]c3ccccc23)C1 ZINC001446550026 1101018219 /nfs/dbraw/zinc/01/82/19/1101018219.db2.gz FWRKKIMUWFDKNT-QGZVFWFLSA-N 1 2 332.835 2.439 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2n[nH]c3ccccc23)C1 ZINC001446550026 1101018226 /nfs/dbraw/zinc/01/82/26/1101018226.db2.gz FWRKKIMUWFDKNT-QGZVFWFLSA-N 1 2 332.835 2.439 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)C[C@H]1CCCOC1 ZINC001447374045 1102552021 /nfs/dbraw/zinc/55/20/21/1102552021.db2.gz FQJOPXGXMHWYLT-CQSZACIVSA-N 1 2 347.297 2.492 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)C[C@H]1CCCOC1 ZINC001447374045 1102552029 /nfs/dbraw/zinc/55/20/29/1102552029.db2.gz FQJOPXGXMHWYLT-CQSZACIVSA-N 1 2 347.297 2.492 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)COCc2cc(C)on2)C1 ZINC001494905266 1104534011 /nfs/dbraw/zinc/53/40/11/1104534011.db2.gz OSCXUNYKTZIBIW-HNNXBMFYSA-N 1 2 341.839 2.175 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)COCc2cc(C)on2)C1 ZINC001494905266 1104534013 /nfs/dbraw/zinc/53/40/13/1104534013.db2.gz OSCXUNYKTZIBIW-HNNXBMFYSA-N 1 2 341.839 2.175 20 30 EEEDLO C#CCN(CC)c1nnc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC(=C)C ZINC001516033714 1118993794 /nfs/dbraw/zinc/99/37/94/1118993794.db2.gz QJPCZSDDIYTVTP-DLBZAZTESA-N 1 2 343.475 2.240 20 30 EEEDLO C#CCN(CC)c1nnc([C@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC(=C)C ZINC001516033714 1118993797 /nfs/dbraw/zinc/99/37/97/1118993797.db2.gz QJPCZSDDIYTVTP-DLBZAZTESA-N 1 2 343.475 2.240 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@@H](O)CCCCC)n2CC2CC2)CC1 ZINC001520638764 1119183642 /nfs/dbraw/zinc/18/36/42/1119183642.db2.gz ROZYFIJCUGCAJY-KRWDZBQOSA-N 1 2 345.491 2.057 20 30 EEEDLO COc1cccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001524028422 1119963038 /nfs/dbraw/zinc/96/30/38/1119963038.db2.gz BQIKEIINZUJBOH-HZPDHXFCSA-N 1 2 329.400 2.215 20 30 EEEDLO COc1cccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001524028422 1119963041 /nfs/dbraw/zinc/96/30/41/1119963041.db2.gz BQIKEIINZUJBOH-HZPDHXFCSA-N 1 2 329.400 2.215 20 30 EEEDLO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101558372 219136876 /nfs/dbraw/zinc/13/68/76/219136876.db2.gz YWIJGUQGGCEPPX-CQSZACIVSA-N 1 2 332.423 2.076 20 30 EEEDLO CC(C)c1nc([C@@H]2CCC[N@H+](CC(=O)NC(=O)NC3CC3)C2)no1 ZINC000328819815 539761444 /nfs/dbraw/zinc/76/14/44/539761444.db2.gz FCWGWWSEPDHGSP-LLVKDONJSA-N 1 2 335.408 2.405 20 30 EEEDLO CC(C)c1nc([C@@H]2CCC[N@@H+](CC(=O)NC(=O)NC3CC3)C2)no1 ZINC000328819815 539761448 /nfs/dbraw/zinc/76/14/48/539761448.db2.gz FCWGWWSEPDHGSP-LLVKDONJSA-N 1 2 335.408 2.405 20 30 EEEDLO C[C@@H](c1cccc(NC(=O)N2CCCOCC2)c1)[NH+]1CCOCC1 ZINC000329097483 539767032 /nfs/dbraw/zinc/76/70/32/539767032.db2.gz LPQMOUUQFVMSPP-HNNXBMFYSA-N 1 2 333.432 2.348 20 30 EEEDLO C[C@@H]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000329194546 539768322 /nfs/dbraw/zinc/76/83/22/539768322.db2.gz URPUPYDLNSMRGA-HZPDHXFCSA-N 1 2 333.480 2.278 20 30 EEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329725103 539781185 /nfs/dbraw/zinc/78/11/85/539781185.db2.gz OCDMOYXOTJGXCG-SIXWZSSISA-N 1 2 330.428 2.404 20 30 EEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329725103 539781188 /nfs/dbraw/zinc/78/11/88/539781188.db2.gz OCDMOYXOTJGXCG-SIXWZSSISA-N 1 2 330.428 2.404 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCc4ccc(F)cc4C3)C2=O)cc1 ZINC000135062701 283152841 /nfs/dbraw/zinc/15/28/41/283152841.db2.gz SYXWLCNJCDWEAL-SFHVURJKSA-N 1 2 349.365 2.388 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCc4ccc(F)cc4C3)C2=O)cc1 ZINC000135062701 283152845 /nfs/dbraw/zinc/15/28/45/283152845.db2.gz SYXWLCNJCDWEAL-SFHVURJKSA-N 1 2 349.365 2.388 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351928362 238207667 /nfs/dbraw/zinc/20/76/67/238207667.db2.gz SFVWQSPFIJLFDV-UMVBOHGHSA-N 1 2 333.457 2.332 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351928362 238207669 /nfs/dbraw/zinc/20/76/69/238207669.db2.gz SFVWQSPFIJLFDV-UMVBOHGHSA-N 1 2 333.457 2.332 20 30 EEEDLO Cn1cc[nH+]c1CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000264324280 246353193 /nfs/dbraw/zinc/35/31/93/246353193.db2.gz VBCFOMAYOSMAEV-UHFFFAOYSA-N 1 2 339.399 2.045 20 30 EEEDLO C=CCc1cc(C[N@@H+](CC)[C@@H](C)CS(C)(=O)=O)cc(OC)c1O ZINC000093390512 218220617 /nfs/dbraw/zinc/22/06/17/218220617.db2.gz FVTQRFIEJDXGJV-ZDUSSCGKSA-N 1 2 341.473 2.384 20 30 EEEDLO C=CCc1cc(C[N@H+](CC)[C@@H](C)CS(C)(=O)=O)cc(OC)c1O ZINC000093390512 218220618 /nfs/dbraw/zinc/22/06/18/218220618.db2.gz FVTQRFIEJDXGJV-ZDUSSCGKSA-N 1 2 341.473 2.384 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(OCC#N)cc2)n1 ZINC000491439218 533219758 /nfs/dbraw/zinc/21/97/58/533219758.db2.gz ILLIQRFRFGNDCS-UHFFFAOYSA-N 1 2 338.411 2.067 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(OCC#N)cc2)n1 ZINC000491439218 533219767 /nfs/dbraw/zinc/21/97/67/533219767.db2.gz ILLIQRFRFGNDCS-UHFFFAOYSA-N 1 2 338.411 2.067 20 30 EEEDLO CCOC(=O)[C@H](CC(C)C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000272871245 256245354 /nfs/dbraw/zinc/24/53/54/256245354.db2.gz ZTRPZUNAMHGQFC-INIZCTEOSA-N 1 2 330.432 2.053 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000177082808 143638017 /nfs/dbraw/zinc/63/80/17/143638017.db2.gz DHLWNVJVUVFBGW-CZUORRHYSA-N 1 2 344.440 2.335 20 30 EEEDLO C[NH+]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000102749115 159268210 /nfs/dbraw/zinc/26/82/10/159268210.db2.gz ZBOMDXKOOPYHPQ-UHFFFAOYSA-N 1 2 325.368 2.118 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3)CCO2)c1 ZINC000341815354 161015708 /nfs/dbraw/zinc/01/57/08/161015708.db2.gz WZSNIJUZPZHQBK-QUCCMNQESA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3)CCO2)c1 ZINC000341815354 161015709 /nfs/dbraw/zinc/01/57/09/161015709.db2.gz WZSNIJUZPZHQBK-QUCCMNQESA-N 1 2 338.407 2.371 20 30 EEEDLO CNC(=O)c1cccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000341816219 161015854 /nfs/dbraw/zinc/01/58/54/161015854.db2.gz ZUJCKQNRPYOUEK-IBGZPJMESA-N 1 2 335.407 2.491 20 30 EEEDLO CNC(=O)c1cccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000341816219 161015855 /nfs/dbraw/zinc/01/58/55/161015855.db2.gz ZUJCKQNRPYOUEK-IBGZPJMESA-N 1 2 335.407 2.491 20 30 EEEDLO N#Cc1cc(N2CC[C@H](Oc3cc[nH+]cc3)C2)cc(N)c1[N+](=O)[O-] ZINC000342671266 161081891 /nfs/dbraw/zinc/08/18/91/161081891.db2.gz GSTBQZIHYCQGKJ-AWEZNQCLSA-N 1 2 325.328 2.101 20 30 EEEDLO Cc1cc(N2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)cc(C#N)n1 ZINC000342733786 161086627 /nfs/dbraw/zinc/08/66/27/161086627.db2.gz YKSSLOFJRDCLBB-UHFFFAOYSA-N 1 2 332.411 2.460 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000368090673 166049150 /nfs/dbraw/zinc/04/91/50/166049150.db2.gz SIHPMLFRWSJAST-HNNXBMFYSA-N 1 2 329.791 2.294 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000368090673 166049151 /nfs/dbraw/zinc/04/91/51/166049151.db2.gz SIHPMLFRWSJAST-HNNXBMFYSA-N 1 2 329.791 2.294 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCOCC3)CC2)cc1 ZINC000369693805 166314913 /nfs/dbraw/zinc/31/49/13/166314913.db2.gz VLROLUGRBMHPTI-SFHVURJKSA-N 1 2 327.428 2.019 20 30 EEEDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1c1ccccc1 ZINC000065281776 263992350 /nfs/dbraw/zinc/99/23/50/263992350.db2.gz YEBIJMMMJZDPHW-GOSISDBHSA-N 1 2 341.436 2.236 20 30 EEEDLO C[N@H+]1CCN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1c1ccccc1 ZINC000065281776 263992352 /nfs/dbraw/zinc/99/23/52/263992352.db2.gz YEBIJMMMJZDPHW-GOSISDBHSA-N 1 2 341.436 2.236 20 30 EEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000287134819 266471256 /nfs/dbraw/zinc/47/12/56/266471256.db2.gz BAGZHTYTPDYEMJ-ZDUSSCGKSA-N 1 2 334.401 2.284 20 30 EEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000301107633 267010861 /nfs/dbraw/zinc/01/08/61/267010861.db2.gz SQEYYFPTCNIIAI-MRXNPFEDSA-N 1 2 326.444 2.081 20 30 EEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1nc2c(cc1C#N)CCCC2 ZINC000286188339 267080377 /nfs/dbraw/zinc/08/03/77/267080377.db2.gz AVYKDQKARRMFMC-RHSMWYFYSA-N 1 2 326.444 2.131 20 30 EEEDLO COC(=O)CC1CC[NH+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000434812791 267360274 /nfs/dbraw/zinc/36/02/74/267360274.db2.gz FIHNCKQDHAKBNJ-QGZVFWFLSA-N 1 2 330.384 2.047 20 30 EEEDLO COC(=O)COc1ccc(CN(C)c2cc(C)[nH+]cc2C#N)cc1 ZINC000425242251 267365660 /nfs/dbraw/zinc/36/56/60/267365660.db2.gz OKERBMNIKHAHIU-UHFFFAOYSA-N 1 2 325.368 2.450 20 30 EEEDLO Cc1cc(S(=O)(=O)Nc2nc(C[NH+](C)C)cs2)ccc1C#N ZINC000414464502 268019248 /nfs/dbraw/zinc/01/92/48/268019248.db2.gz YMWAOEDEQYYLCX-UHFFFAOYSA-N 1 2 336.442 2.186 20 30 EEEDLO Cc1ccn2cc(CNS(=O)(=O)c3ccc(C#N)c(C)c3)[nH+]c2c1 ZINC000443958636 268062234 /nfs/dbraw/zinc/06/22/34/268062234.db2.gz LZMNSGDZJBHYBX-UHFFFAOYSA-N 1 2 340.408 2.301 20 30 EEEDLO N#Cc1ccc([N+](=O)[O-])c(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c1 ZINC000302667703 268215994 /nfs/dbraw/zinc/21/59/94/268215994.db2.gz COFBMQFFRORYDP-OAHLLOKOSA-N 1 2 327.344 2.140 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291611805 268308682 /nfs/dbraw/zinc/30/86/82/268308682.db2.gz CJEAMAFHHJQQMU-GOSISDBHSA-N 1 2 341.436 2.194 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291611805 268308685 /nfs/dbraw/zinc/30/86/85/268308685.db2.gz CJEAMAFHHJQQMU-GOSISDBHSA-N 1 2 341.436 2.194 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H](Nc3nc[nH+]c(N)c3Cl)C2=O)cc1 ZINC000277833909 269188852 /nfs/dbraw/zinc/18/88/52/269188852.db2.gz PVJKJOWCSWSXGM-LBPRGKRZSA-N 1 2 342.790 2.191 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H](Nc3[nH+]cnc(N)c3Cl)C2=O)cc1 ZINC000277833909 269188854 /nfs/dbraw/zinc/18/88/54/269188854.db2.gz PVJKJOWCSWSXGM-LBPRGKRZSA-N 1 2 342.790 2.191 20 30 EEEDLO Cc1noc([C@H](C)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000543509859 318160426 /nfs/dbraw/zinc/16/04/26/318160426.db2.gz ZPTUYTPUKHAYKL-BDAKNGLRSA-N 1 2 345.428 2.478 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)C1CC1 ZINC000569717402 319602323 /nfs/dbraw/zinc/60/23/23/319602323.db2.gz UAEDWQNTUHJFLQ-OAHLLOKOSA-N 1 2 348.403 2.002 20 30 EEEDLO CCOC(=O)[C@@H](CC(C)C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000574348473 320017371 /nfs/dbraw/zinc/01/73/71/320017371.db2.gz VXCUPGRCGHDDCB-MRXNPFEDSA-N 1 2 330.432 2.053 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cncnc3C3CC3)CC2)cc1 ZINC000576591064 320186836 /nfs/dbraw/zinc/18/68/36/320186836.db2.gz YCQLXCHEOKCIQS-UHFFFAOYSA-N 1 2 347.422 2.184 20 30 EEEDLO N#CCc1cccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000042315161 463555860 /nfs/dbraw/zinc/55/58/60/463555860.db2.gz NDNQPSMZRNWGMH-HXUWFJFHSA-N 1 2 349.434 2.383 20 30 EEEDLO N#CCc1cccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000042315161 463555863 /nfs/dbraw/zinc/55/58/63/463555863.db2.gz NDNQPSMZRNWGMH-HXUWFJFHSA-N 1 2 349.434 2.383 20 30 EEEDLO N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000296046997 465064174 /nfs/dbraw/zinc/06/41/74/465064174.db2.gz AURODSRQEUSOES-LBPRGKRZSA-N 1 2 348.403 2.130 20 30 EEEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+][C@H]1CCCC12CCOCC2 ZINC000328647437 465087995 /nfs/dbraw/zinc/08/79/95/465087995.db2.gz HWMDVWFLBZJQHQ-GJZGRUSLSA-N 1 2 332.448 2.298 20 30 EEEDLO Cc1ccnc(CN2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)n1 ZINC000328882338 465156802 /nfs/dbraw/zinc/15/68/02/465156802.db2.gz XAYLEOOUVBFFIY-OAHLLOKOSA-N 1 2 331.464 2.190 20 30 EEEDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329013848 465203293 /nfs/dbraw/zinc/20/32/93/465203293.db2.gz FNGHQGXOGNCCMA-CYBMUJFWSA-N 1 2 344.419 2.375 20 30 EEEDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329013848 465203303 /nfs/dbraw/zinc/20/33/03/465203303.db2.gz FNGHQGXOGNCCMA-CYBMUJFWSA-N 1 2 344.419 2.375 20 30 EEEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000329084665 465228810 /nfs/dbraw/zinc/22/88/10/465228810.db2.gz TXCRRAKLLSAXPP-WBVHZDCISA-N 1 2 345.443 2.234 20 30 EEEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000329084665 465228814 /nfs/dbraw/zinc/22/88/14/465228814.db2.gz TXCRRAKLLSAXPP-WBVHZDCISA-N 1 2 345.443 2.234 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296679361 465229415 /nfs/dbraw/zinc/22/94/15/465229415.db2.gz BFKKWPKORYYBOG-KKUMJFAQSA-N 1 2 332.448 2.494 20 30 EEEDLO Cc1ncc(C[NH+]2CCN(C(=O)Nc3c(C)nn(C)c3C)CC2)s1 ZINC000329108957 465236307 /nfs/dbraw/zinc/23/63/07/465236307.db2.gz FPUVSKIJDBVWAM-UHFFFAOYSA-N 1 2 348.476 2.165 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2cc(C)ccc2OC)C1=O ZINC000337230844 465256492 /nfs/dbraw/zinc/25/64/92/465256492.db2.gz TWXKFYHGCUEJQB-ZBFHGGJFSA-N 1 2 345.443 2.049 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2cc(C)ccc2OC)C1=O ZINC000337230844 465256496 /nfs/dbraw/zinc/25/64/96/465256496.db2.gz TWXKFYHGCUEJQB-ZBFHGGJFSA-N 1 2 345.443 2.049 20 30 EEEDLO Cc1cc(NC(=O)CCn2c(C)[nH+]c3ccccc32)nn1CCC#N ZINC000355738252 465269147 /nfs/dbraw/zinc/26/91/47/465269147.db2.gz VEOFOENPTNYRTB-UHFFFAOYSA-N 1 2 336.399 2.792 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000337409975 465352796 /nfs/dbraw/zinc/35/27/96/465352796.db2.gz LEIRLROUVKNFOD-UHFFFAOYSA-N 1 2 336.439 2.431 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000337409975 465352801 /nfs/dbraw/zinc/35/28/01/465352801.db2.gz LEIRLROUVKNFOD-UHFFFAOYSA-N 1 2 336.439 2.431 20 30 EEEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cccnc1C1CC1 ZINC000329590631 465380330 /nfs/dbraw/zinc/38/03/30/465380330.db2.gz YNWQUYMGCOJJJU-GOSISDBHSA-N 1 2 347.484 2.472 20 30 EEEDLO C[C@@H]1C[N@H+](CCNC(=O)c2c(Cl)cc(C#N)cc2Cl)CCO1 ZINC000590628202 468291136 /nfs/dbraw/zinc/29/11/36/468291136.db2.gz NEMFEHFAVGOFIY-SNVBAGLBSA-N 1 2 342.226 2.316 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2c(Cl)cc(C#N)cc2Cl)CCO1 ZINC000590628202 468291139 /nfs/dbraw/zinc/29/11/39/468291139.db2.gz NEMFEHFAVGOFIY-SNVBAGLBSA-N 1 2 342.226 2.316 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(Cn3ccc4ccccc43)n2CC)CC1 ZINC000491099395 468300790 /nfs/dbraw/zinc/30/07/90/468300790.db2.gz AWFBDBVEXBWGIO-UHFFFAOYSA-N 1 2 348.454 2.056 20 30 EEEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2cc(C#N)ccc2Cl)no1 ZINC000351836274 465390155 /nfs/dbraw/zinc/39/01/55/465390155.db2.gz IZELVOOCUBDBNF-UHFFFAOYSA-N 1 2 347.806 2.321 20 30 EEEDLO N#CC1(F)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000359350863 465398318 /nfs/dbraw/zinc/39/83/18/465398318.db2.gz OLDNUUNMJVKUBO-UHFFFAOYSA-N 1 2 343.318 2.248 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC000060552743 462557681 /nfs/dbraw/zinc/55/76/81/462557681.db2.gz DRNIVGDWTMSPBB-STQMWFEESA-N 1 2 349.431 2.130 20 30 EEEDLO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000153855960 462701005 /nfs/dbraw/zinc/70/10/05/462701005.db2.gz IRMPTNRZFPHYNV-MJGOQNOKSA-N 1 2 340.471 2.270 20 30 EEEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000064796837 462721221 /nfs/dbraw/zinc/72/12/21/462721221.db2.gz JMDYMQQGRUSSCL-WPUBBZCQSA-N 1 2 346.475 2.261 20 30 EEEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000064796837 462721224 /nfs/dbraw/zinc/72/12/24/462721224.db2.gz JMDYMQQGRUSSCL-WPUBBZCQSA-N 1 2 346.475 2.261 20 30 EEEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cnn1-c1ccc(C)cc1 ZINC000521442770 468314395 /nfs/dbraw/zinc/31/43/95/468314395.db2.gz QNPVHGYBJPZKKQ-GOSISDBHSA-N 1 2 325.416 2.063 20 30 EEEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2cccnc2N)CC1 ZINC000590714534 468315866 /nfs/dbraw/zinc/31/58/66/468315866.db2.gz AHEFMFZSESVZPB-KRWDZBQOSA-N 1 2 325.391 2.185 20 30 EEEDLO CC(C)(C#N)CC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000130954537 462785260 /nfs/dbraw/zinc/78/52/60/462785260.db2.gz IPTFBVIOCNZGLA-UHFFFAOYSA-N 1 2 339.436 2.072 20 30 EEEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)NC(C2CC2)(C2CC2)C1=O ZINC000065522712 462788516 /nfs/dbraw/zinc/78/85/16/462788516.db2.gz JCOFUQKCRSRUFW-UHFFFAOYSA-N 1 2 338.411 2.058 20 30 EEEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)NC(C2CC2)(C2CC2)C1=O ZINC000065522712 462788519 /nfs/dbraw/zinc/78/85/19/462788519.db2.gz JCOFUQKCRSRUFW-UHFFFAOYSA-N 1 2 338.411 2.058 20 30 EEEDLO COc1cc[nH+]cc1NC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000131446227 462810724 /nfs/dbraw/zinc/81/07/24/462810724.db2.gz PWPDPHKZPWCYTE-UHFFFAOYSA-N 1 2 327.388 2.389 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076181490 462818782 /nfs/dbraw/zinc/81/87/82/462818782.db2.gz GQHWUPUWRBTHKX-BBBLOLIVSA-N 1 2 345.287 2.420 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076181490 462818786 /nfs/dbraw/zinc/81/87/86/462818786.db2.gz GQHWUPUWRBTHKX-BBBLOLIVSA-N 1 2 345.287 2.420 20 30 EEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCc2n[nH]cc2C1 ZINC000091079218 462830613 /nfs/dbraw/zinc/83/06/13/462830613.db2.gz WVLXQVGKHUMCOR-TXKKKEFDSA-N 1 2 329.448 2.087 20 30 EEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCc2n[nH]cc2C1 ZINC000091079218 462830619 /nfs/dbraw/zinc/83/06/19/462830619.db2.gz WVLXQVGKHUMCOR-TXKKKEFDSA-N 1 2 329.448 2.087 20 30 EEEDLO COc1cc(C#N)ccc1OCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120269059 462980514 /nfs/dbraw/zinc/98/05/14/462980514.db2.gz RSGMEXIDSLGMGU-AWEZNQCLSA-N 1 2 340.383 2.423 20 30 EEEDLO CSC[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000077799959 463051681 /nfs/dbraw/zinc/05/16/81/463051681.db2.gz LVHWUKZXBUKZCD-AWEZNQCLSA-N 1 2 332.473 2.137 20 30 EEEDLO CCC[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCN1CCOC ZINC000121638703 463171605 /nfs/dbraw/zinc/17/16/05/463171605.db2.gz HDBNLXTXHJIKJU-SFHVURJKSA-N 1 2 331.460 2.370 20 30 EEEDLO CCC[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCN1CCOC ZINC000121638703 463171607 /nfs/dbraw/zinc/17/16/07/463171607.db2.gz HDBNLXTXHJIKJU-SFHVURJKSA-N 1 2 331.460 2.370 20 30 EEEDLO Cc1noc(C2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)n1 ZINC000053641136 463180631 /nfs/dbraw/zinc/18/06/31/463180631.db2.gz GZKDZXOORKRCAY-SJCJKPOMSA-N 1 2 333.436 2.000 20 30 EEEDLO N#Cc1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000079059845 463184242 /nfs/dbraw/zinc/18/42/42/463184242.db2.gz JOOMBEPHIGGYJG-UHFFFAOYSA-N 1 2 332.367 2.138 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000069341207 463232585 /nfs/dbraw/zinc/23/25/85/463232585.db2.gz DCMLCTFKTYHUMM-AEFFLSMTSA-N 1 2 332.444 2.157 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)nc1 ZINC000029585821 463262982 /nfs/dbraw/zinc/26/29/82/463262982.db2.gz ICLDUPSUYVYDCN-UHFFFAOYSA-N 1 2 346.394 2.325 20 30 EEEDLO COC(=O)C1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000096970685 463302122 /nfs/dbraw/zinc/30/21/22/463302122.db2.gz OPVAGMBSTRAYAQ-OAHLLOKOSA-N 1 2 343.427 2.207 20 30 EEEDLO N#Cc1ccc(OCC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000031314318 463334746 /nfs/dbraw/zinc/33/47/46/463334746.db2.gz NAVBFDAINYBSOR-UHFFFAOYSA-N 1 2 336.395 2.249 20 30 EEEDLO N#CCCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000071122702 463409128 /nfs/dbraw/zinc/40/91/28/463409128.db2.gz NBORGQGMALBNKP-UHFFFAOYSA-N 1 2 328.391 2.446 20 30 EEEDLO N#CCCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000071122702 463409136 /nfs/dbraw/zinc/40/91/36/463409136.db2.gz NBORGQGMALBNKP-UHFFFAOYSA-N 1 2 328.391 2.446 20 30 EEEDLO N#Cc1ccc(Nc2ccc(N3CCN(C(=O)C4CC4)CC3)[nH+]c2)nc1 ZINC000058217680 463554905 /nfs/dbraw/zinc/55/49/05/463554905.db2.gz XAMDWVDUQLSSKD-UHFFFAOYSA-N 1 2 348.410 2.150 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000568710370 468375198 /nfs/dbraw/zinc/37/51/98/468375198.db2.gz JYLALQRZGUIDRD-OAHLLOKOSA-N 1 2 335.411 2.102 20 30 EEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000177976569 463821598 /nfs/dbraw/zinc/82/15/98/463821598.db2.gz JPYHBYCIPCDHKB-SUMWQHHRSA-N 1 2 333.457 2.476 20 30 EEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@](C)(O)C1 ZINC000177976569 463821601 /nfs/dbraw/zinc/82/16/01/463821601.db2.gz JPYHBYCIPCDHKB-SUMWQHHRSA-N 1 2 333.457 2.476 20 30 EEEDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)o1 ZINC000541681810 468379213 /nfs/dbraw/zinc/37/92/13/468379213.db2.gz LIVORARYNNQIHK-XPFWZQFZSA-N 1 2 333.436 2.348 20 30 EEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(C#N)ccc1Cl ZINC000287261384 463849974 /nfs/dbraw/zinc/84/99/74/463849974.db2.gz KDJVXJUGHUQNOB-JSGCOSHPSA-N 1 2 333.819 2.147 20 30 EEEDLO C=CCOc1ccccc1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287425824 463895684 /nfs/dbraw/zinc/89/56/84/463895684.db2.gz QKTYYCIFMCATDY-HZPDHXFCSA-N 1 2 330.428 2.187 20 30 EEEDLO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000278333029 463963548 /nfs/dbraw/zinc/96/35/48/463963548.db2.gz OOSVJLMLMHUNAK-SUMWQHHRSA-N 1 2 338.835 2.057 20 30 EEEDLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000278333029 463963551 /nfs/dbraw/zinc/96/35/51/463963551.db2.gz OOSVJLMLMHUNAK-SUMWQHHRSA-N 1 2 338.835 2.057 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc4ccccc4c3)n2C)CC1 ZINC000283963585 464053651 /nfs/dbraw/zinc/05/36/51/464053651.db2.gz XEDUZRLOMXNSTE-UHFFFAOYSA-N 1 2 345.450 2.314 20 30 EEEDLO C=CCn1c(C)cc(C(=O)CN2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c1C ZINC000289818847 464096301 /nfs/dbraw/zinc/09/63/01/464096301.db2.gz NYBIHBFSHBVWEH-IEBWSBKVSA-N 1 2 345.487 2.269 20 30 EEEDLO CSC[C@](C)(C#N)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000289856081 464097774 /nfs/dbraw/zinc/09/77/74/464097774.db2.gz GBFIHQSBLKWLIB-HNNXBMFYSA-N 1 2 338.383 2.384 20 30 EEEDLO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1nnc2ccccn21 ZINC000172613925 464118000 /nfs/dbraw/zinc/11/80/00/464118000.db2.gz XVHHSDHHKKCBDN-AWEZNQCLSA-N 1 2 340.431 2.065 20 30 EEEDLO C=CCn1c(SCC[N@@H+]2CCO[C@H](C)C2)nnc1-c1ccccn1 ZINC000284344036 464156884 /nfs/dbraw/zinc/15/68/84/464156884.db2.gz VMNKBGODFHBKSN-CQSZACIVSA-N 1 2 345.472 2.339 20 30 EEEDLO C=CCn1c(SCC[N@H+]2CCO[C@H](C)C2)nnc1-c1ccccn1 ZINC000284344036 464156889 /nfs/dbraw/zinc/15/68/89/464156889.db2.gz VMNKBGODFHBKSN-CQSZACIVSA-N 1 2 345.472 2.339 20 30 EEEDLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)O[NH+]=C(N)[C@H]1CCCO1 ZINC000284408370 464181805 /nfs/dbraw/zinc/18/18/05/464181805.db2.gz NLEBKKAGTNTODD-ZWNOBZJWSA-N 1 2 325.796 2.443 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000280301654 464196539 /nfs/dbraw/zinc/19/65/39/464196539.db2.gz QTHBDELKQHGWJL-ZMSDIMECSA-N 1 2 345.443 2.109 20 30 EEEDLO NC(=[NH+]OCC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 ZINC000284499698 464217194 /nfs/dbraw/zinc/21/71/94/464217194.db2.gz STQMQLKJNDAJCO-NSHDSACASA-N 1 2 332.187 2.400 20 30 EEEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1)C(C)C ZINC000281059886 464317252 /nfs/dbraw/zinc/31/72/52/464317252.db2.gz LHKLDHFSMNEDJW-KRWDZBQOSA-N 1 2 347.434 2.319 20 30 EEEDLO C=CC[C@@]1(C(=O)NCCn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000188656388 464334712 /nfs/dbraw/zinc/33/47/12/464334712.db2.gz TVNRXTQLWGESON-SFHVURJKSA-N 1 2 348.447 2.345 20 30 EEEDLO N#CC1(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCOCC1 ZINC000264515533 464355763 /nfs/dbraw/zinc/35/57/63/464355763.db2.gz BQQCDNJRKDIZIW-UHFFFAOYSA-N 1 2 328.416 2.008 20 30 EEEDLO C=CC[N@@H+](CCOc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000264534248 464362982 /nfs/dbraw/zinc/36/29/82/464362982.db2.gz FTKBTYHOUCTBIB-HNNXBMFYSA-N 1 2 339.457 2.139 20 30 EEEDLO C=CC[N@H+](CCOc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000264534248 464362985 /nfs/dbraw/zinc/36/29/85/464362985.db2.gz FTKBTYHOUCTBIB-HNNXBMFYSA-N 1 2 339.457 2.139 20 30 EEEDLO CN1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1c1nc(C2CC2)no1 ZINC000284927414 464395809 /nfs/dbraw/zinc/39/58/09/464395809.db2.gz PVGCORQICNMFQM-INIZCTEOSA-N 1 2 341.390 2.446 20 30 EEEDLO CN1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1c1nc(C2CC2)no1 ZINC000284927414 464395817 /nfs/dbraw/zinc/39/58/17/464395817.db2.gz PVGCORQICNMFQM-INIZCTEOSA-N 1 2 341.390 2.446 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)n2)CC1 ZINC000271932573 464417985 /nfs/dbraw/zinc/41/79/85/464417985.db2.gz LAAOJDKMKANPCH-UHFFFAOYSA-N 1 2 340.402 2.101 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(Cc2ccccc2)C(C)C)C1=O ZINC000281363166 464427227 /nfs/dbraw/zinc/42/72/27/464427227.db2.gz OAEBHAVZXOMZAX-GOSISDBHSA-N 1 2 343.471 2.142 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(Cc2ccccc2)C(C)C)C1=O ZINC000281363166 464427230 /nfs/dbraw/zinc/42/72/30/464427230.db2.gz OAEBHAVZXOMZAX-GOSISDBHSA-N 1 2 343.471 2.142 20 30 EEEDLO CC(C)[C@H](CNC(=O)c1cc(C#N)ccc1Cl)[NH+]1CCOCC1 ZINC000285401501 464550949 /nfs/dbraw/zinc/55/09/49/464550949.db2.gz JWRFSGVNBXVLTI-INIZCTEOSA-N 1 2 335.835 2.298 20 30 EEEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000272316718 464561183 /nfs/dbraw/zinc/56/11/83/464561183.db2.gz ZOPTUVAOQFAIAR-ZBFHGGJFSA-N 1 2 343.475 2.170 20 30 EEEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000272316718 464561187 /nfs/dbraw/zinc/56/11/87/464561187.db2.gz ZOPTUVAOQFAIAR-ZBFHGGJFSA-N 1 2 343.475 2.170 20 30 EEEDLO CSCc1cnc(CN(CCC#N)CC[NH+]2CCOCC2)s1 ZINC000294950664 464659199 /nfs/dbraw/zinc/65/91/99/464659199.db2.gz QAFOFEQLORVFDH-UHFFFAOYSA-N 1 2 340.518 2.054 20 30 EEEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(Cc3cccc(OCC#N)c3)n2)C1 ZINC000272697580 464684714 /nfs/dbraw/zinc/68/47/14/464684714.db2.gz VNCBJGOZMYYCHP-MRXNPFEDSA-N 1 2 342.399 2.344 20 30 EEEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(Cc3cccc(OCC#N)c3)n2)C1 ZINC000272697580 464684721 /nfs/dbraw/zinc/68/47/21/464684721.db2.gz VNCBJGOZMYYCHP-MRXNPFEDSA-N 1 2 342.399 2.344 20 30 EEEDLO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nccs1 ZINC000190630979 464691785 /nfs/dbraw/zinc/69/17/85/464691785.db2.gz OMSUCAWJWCNIBB-IUODEOHRSA-N 1 2 326.425 2.466 20 30 EEEDLO CC(C)COC[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccco1 ZINC000273489542 464718251 /nfs/dbraw/zinc/71/82/51/464718251.db2.gz KCMMZPZRKXFXEM-MRXNPFEDSA-N 1 2 346.431 2.239 20 30 EEEDLO COc1cc(OC)cc(N2CC[C@@H]([NH+]3CCC(C#N)CC3)C2=O)c1 ZINC000176220942 464724133 /nfs/dbraw/zinc/72/41/33/464724133.db2.gz HIUDYHFOXMHMDF-QGZVFWFLSA-N 1 2 329.400 2.045 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2nncn2C)cc1 ZINC000275033948 464761732 /nfs/dbraw/zinc/76/17/32/464761732.db2.gz AXMKXRZOIRTFLP-GJZGRUSLSA-N 1 2 340.431 2.110 20 30 EEEDLO Cn1cc(C[NH+]2CCN(C(=O)OCc3ccccc3)CC2)cc1C#N ZINC000191217145 464800826 /nfs/dbraw/zinc/80/08/26/464800826.db2.gz XLSVENFKMYAURQ-UHFFFAOYSA-N 1 2 338.411 2.351 20 30 EEEDLO CCc1nsc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)n1 ZINC000192049002 464856195 /nfs/dbraw/zinc/85/61/95/464856195.db2.gz WMNUCSXNQQVWEZ-UHFFFAOYSA-N 1 2 331.420 2.433 20 30 EEEDLO C[C@H](CCC#N)[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000276341989 464897205 /nfs/dbraw/zinc/89/72/05/464897205.db2.gz UFNILRAXYYELCE-SNVBAGLBSA-N 1 2 325.210 2.407 20 30 EEEDLO C[C@H](CCC#N)[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000276341989 464897210 /nfs/dbraw/zinc/89/72/10/464897210.db2.gz UFNILRAXYYELCE-SNVBAGLBSA-N 1 2 325.210 2.407 20 30 EEEDLO COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000251854943 464943032 /nfs/dbraw/zinc/94/30/32/464943032.db2.gz NUOOQZNMLBMMSV-BQFCYCMXSA-N 1 2 345.443 2.057 20 30 EEEDLO COC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000251854943 464943034 /nfs/dbraw/zinc/94/30/34/464943034.db2.gz NUOOQZNMLBMMSV-BQFCYCMXSA-N 1 2 345.443 2.057 20 30 EEEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356346829 465328014 /nfs/dbraw/zinc/32/80/14/465328014.db2.gz DUHMEBIXUHMESZ-MRXNPFEDSA-N 1 2 344.459 2.199 20 30 EEEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356346829 465328017 /nfs/dbraw/zinc/32/80/17/465328017.db2.gz DUHMEBIXUHMESZ-MRXNPFEDSA-N 1 2 344.459 2.199 20 30 EEEDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)NC(=O)NC3CCCCC3)C2)[nH]1 ZINC000329446744 465336362 /nfs/dbraw/zinc/33/63/62/465336362.db2.gz MAEFRYKAAHMYFB-ZDUSSCGKSA-N 1 2 348.451 2.496 20 30 EEEDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)NC(=O)NC3CCCCC3)C2)[nH]1 ZINC000329446744 465336365 /nfs/dbraw/zinc/33/63/65/465336365.db2.gz MAEFRYKAAHMYFB-ZDUSSCGKSA-N 1 2 348.451 2.496 20 30 EEEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)NC(=O)NC3CCCCC3)C2)n1 ZINC000329446744 465336371 /nfs/dbraw/zinc/33/63/71/465336371.db2.gz MAEFRYKAAHMYFB-ZDUSSCGKSA-N 1 2 348.451 2.496 20 30 EEEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)NC(=O)NC3CCCCC3)C2)n1 ZINC000329446744 465336376 /nfs/dbraw/zinc/33/63/76/465336376.db2.gz MAEFRYKAAHMYFB-ZDUSSCGKSA-N 1 2 348.451 2.496 20 30 EEEDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)NC(=O)NC3CCCCC3)C2)n[nH]1 ZINC000329446744 465336381 /nfs/dbraw/zinc/33/63/81/465336381.db2.gz MAEFRYKAAHMYFB-ZDUSSCGKSA-N 1 2 348.451 2.496 20 30 EEEDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)NC(=O)NC3CCCCC3)C2)n[nH]1 ZINC000329446744 465336387 /nfs/dbraw/zinc/33/63/87/465336387.db2.gz MAEFRYKAAHMYFB-ZDUSSCGKSA-N 1 2 348.451 2.496 20 30 EEEDLO O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000329569439 465375050 /nfs/dbraw/zinc/37/50/50/465375050.db2.gz UIEFMQHSUUXCLK-CYBMUJFWSA-N 1 2 333.413 2.006 20 30 EEEDLO CCO[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C12CCC2 ZINC000329582190 465377708 /nfs/dbraw/zinc/37/77/08/465377708.db2.gz AJAODWJOBHDNOY-UHOFOFEASA-N 1 2 332.448 2.461 20 30 EEEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCOC[C@H]1c1ccccc1 ZINC000329749275 465421724 /nfs/dbraw/zinc/42/17/24/465421724.db2.gz UEICMRXHARBDEJ-PBHICJAKSA-N 1 2 326.400 2.255 20 30 EEEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCOC[C@H]1c1ccccc1 ZINC000329749275 465421729 /nfs/dbraw/zinc/42/17/29/465421729.db2.gz UEICMRXHARBDEJ-PBHICJAKSA-N 1 2 326.400 2.255 20 30 EEEDLO Cn1cc[nH+]c1CNc1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000359509306 465422079 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/nfs/dbraw/zinc/21/61/12/468216112.db2.gz SZWNHPQPRXBFIX-UHFFFAOYSA-N 1 2 343.427 2.152 20 30 EEEDLO CCc1nocc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000590347645 468239386 /nfs/dbraw/zinc/23/93/86/468239386.db2.gz JNKLOVGEDDJHLJ-UHFFFAOYSA-N 1 2 327.388 2.296 20 30 EEEDLO C[C@H](CC#N)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000597546627 468594251 /nfs/dbraw/zinc/59/42/51/468594251.db2.gz VVBIISKWOWTGST-HUUCEWRRSA-N 1 2 328.416 2.211 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC#Cc1cccc(F)c1)C1CC1 ZINC000570312889 468621230 /nfs/dbraw/zinc/62/12/30/468621230.db2.gz UZQMTBSBLGGZDB-MRXNPFEDSA-N 1 2 326.375 2.361 20 30 EEEDLO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150519 468640258 /nfs/dbraw/zinc/64/02/58/468640258.db2.gz FVCNFQIDPXJUMM-KSMMKXTCSA-N 1 2 341.411 2.349 20 30 EEEDLO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150519 468640262 /nfs/dbraw/zinc/64/02/62/468640262.db2.gz FVCNFQIDPXJUMM-KSMMKXTCSA-N 1 2 341.411 2.349 20 30 EEEDLO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149351 468640499 /nfs/dbraw/zinc/64/04/99/468640499.db2.gz NIFYUFUGNKIBSU-KHYOSLBOSA-N 1 2 327.428 2.093 20 30 EEEDLO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149351 468640503 /nfs/dbraw/zinc/64/05/03/468640503.db2.gz NIFYUFUGNKIBSU-KHYOSLBOSA-N 1 2 327.428 2.093 20 30 EEEDLO Cc1cc(N2CCN(c3ccc(C#N)c(N)n3)CC2)nc(C(C)C)[nH+]1 ZINC000571418600 468786888 /nfs/dbraw/zinc/78/68/88/468786888.db2.gz WRGHSCZANNJENT-UHFFFAOYSA-N 1 2 337.431 2.084 20 30 EEEDLO N#Cc1ccccc1N1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000595301099 468804994 /nfs/dbraw/zinc/80/49/94/468804994.db2.gz IMKNTHUUPVJHGR-VDZJLULYSA-N 1 2 338.455 2.128 20 30 EEEDLO N#CCc1ccccc1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000601368534 468844238 /nfs/dbraw/zinc/84/42/38/468844238.db2.gz WPCXQKWOKWRQTK-AWEZNQCLSA-N 1 2 330.413 2.044 20 30 EEEDLO C[C@@H]1CCN(S(=O)(=O)c2ccccc2CC#N)C[C@H]1n1cc[nH+]c1 ZINC000601370460 468846156 /nfs/dbraw/zinc/84/61/56/468846156.db2.gz SFQWQNAGUZHYJC-GDBMZVCRSA-N 1 2 344.440 2.221 20 30 EEEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NC[C@H](C)C#N)[C@H](C)C1 ZINC000584818530 468941539 /nfs/dbraw/zinc/94/15/39/468941539.db2.gz YCOFCAKFTZSODK-HZPDHXFCSA-N 1 2 344.459 2.461 20 30 EEEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NC[C@H](C)C#N)[C@H](C)C1 ZINC000584818530 468941542 /nfs/dbraw/zinc/94/15/42/468941542.db2.gz YCOFCAKFTZSODK-HZPDHXFCSA-N 1 2 344.459 2.461 20 30 EEEDLO N#Cc1cccc(NC(=O)C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1 ZINC000610701304 469043726 /nfs/dbraw/zinc/04/37/26/469043726.db2.gz PPWXOTPRRKKSFP-UHFFFAOYSA-N 1 2 331.379 2.472 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@H+](CCO)C2CCOCC2)c1C#N ZINC000614923178 469096384 /nfs/dbraw/zinc/09/63/84/469096384.db2.gz YNPIIDLRABBXLC-UHFFFAOYSA-N 1 2 340.427 2.026 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](CCO)C2CCOCC2)c1C#N ZINC000614923178 469096387 /nfs/dbraw/zinc/09/63/87/469096387.db2.gz YNPIIDLRABBXLC-UHFFFAOYSA-N 1 2 340.427 2.026 20 30 EEEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000602859868 469125754 /nfs/dbraw/zinc/12/57/54/469125754.db2.gz BERGIJAENNRKQJ-NSHDSACASA-N 1 2 329.322 2.136 20 30 EEEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000602865180 469127473 /nfs/dbraw/zinc/12/74/73/469127473.db2.gz XHUCIJHXJKNQPA-LLVKDONJSA-N 1 2 329.322 2.136 20 30 EEEDLO CC(C)C[C@@H](NC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccccc1 ZINC000611174045 469182354 /nfs/dbraw/zinc/18/23/54/469182354.db2.gz VKKUJHIKMQUEMZ-LJQANCHMSA-N 1 2 342.487 2.421 20 30 EEEDLO Cc1ccc(C#N)nc1N1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000611399073 469241106 /nfs/dbraw/zinc/24/11/06/469241106.db2.gz YFQGEEKQJYMSBV-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO CC1(O)CCN(c2cc(NCCc3ccc(C#N)cc3)[nH+]cn2)CC1 ZINC000596321656 469243051 /nfs/dbraw/zinc/24/30/51/469243051.db2.gz LYTVVPOQNSPXAK-UHFFFAOYSA-N 1 2 337.427 2.354 20 30 EEEDLO CC1(O)CCN(c2cc(NCCc3ccc(C#N)cc3)nc[nH+]2)CC1 ZINC000596321656 469243058 /nfs/dbraw/zinc/24/30/58/469243058.db2.gz LYTVVPOQNSPXAK-UHFFFAOYSA-N 1 2 337.427 2.354 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@](F)(C#N)C1)c1ccccc1F ZINC000615577787 469272325 /nfs/dbraw/zinc/27/23/25/469272325.db2.gz NDJQEIZUNMDQLW-YOEHRIQHSA-N 1 2 345.353 2.296 20 30 EEEDLO N#C[C@@]1(F)CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000615662259 469295068 /nfs/dbraw/zinc/29/50/68/469295068.db2.gz UMUCVLDQROYWNG-RDJZCZTQSA-N 1 2 333.432 2.241 20 30 EEEDLO COc1cccc(OC)c1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000602442932 469318393 /nfs/dbraw/zinc/31/83/93/469318393.db2.gz ZKVLYXPATWLGTR-UHFFFAOYSA-N 1 2 338.411 2.293 20 30 EEEDLO N#CC1(CC(=O)NCc2ccc[nH+]c2N2CCOCC2)CCCCC1 ZINC000596732083 469346387 /nfs/dbraw/zinc/34/63/87/469346387.db2.gz WMGWBGGAKMIOMT-UHFFFAOYSA-N 1 2 342.443 2.399 20 30 EEEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000604271941 469467336 /nfs/dbraw/zinc/46/73/36/469467336.db2.gz NMOLBXVTUIWLFR-UHFFFAOYSA-N 1 2 342.443 2.161 20 30 EEEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](Cc2cc(Cl)ccc2OC)CC1 ZINC000619715812 469668844 /nfs/dbraw/zinc/66/88/44/469668844.db2.gz SYCUIRSDFFNYIH-HNNXBMFYSA-N 1 2 338.835 2.194 20 30 EEEDLO N#Cc1ccc(CNc2cc(N3CCOCC3)nc[nH+]2)cc1Cl ZINC000619746753 469675505 /nfs/dbraw/zinc/67/55/05/469675505.db2.gz MOTLYHULNREHSV-UHFFFAOYSA-N 1 2 329.791 2.450 20 30 EEEDLO N#Cc1ccc(CNc2cc(N3CCOCC3)[nH+]cn2)cc1Cl ZINC000619746753 469675511 /nfs/dbraw/zinc/67/55/11/469675511.db2.gz MOTLYHULNREHSV-UHFFFAOYSA-N 1 2 329.791 2.450 20 30 EEEDLO N#CCn1c(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc2ccccc21 ZINC000609354908 469922289 /nfs/dbraw/zinc/92/22/89/469922289.db2.gz UCPUMKDJUBTANN-UHFFFAOYSA-N 1 2 332.363 2.463 20 30 EEEDLO CCN(C(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1)C1CCCCC1 ZINC000609486844 469932596 /nfs/dbraw/zinc/93/25/96/469932596.db2.gz SIILPGDOYCBYJE-SFHVURJKSA-N 1 2 334.508 2.333 20 30 EEEDLO C=CCCn1cc(C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)nn1 ZINC000657309166 471093706 /nfs/dbraw/zinc/09/37/06/471093706.db2.gz ALIPRIDSHUQOHV-UHFFFAOYSA-N 1 2 341.337 2.480 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645363839 471225912 /nfs/dbraw/zinc/22/59/12/471225912.db2.gz VMLDPBLFZGOPIP-CRAIPNDOSA-N 1 2 342.443 2.466 20 30 EEEDLO C=C[C@@H](CC(=O)N1CC[NH+](CCOCCOC)CC1)c1ccccc1 ZINC000652999139 471446122 /nfs/dbraw/zinc/44/61/22/471446122.db2.gz NDYBXAJSKQBUBG-SFHVURJKSA-N 1 2 346.471 2.154 20 30 EEEDLO C=CCCn1cc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)nn1 ZINC000653494654 471640288 /nfs/dbraw/zinc/64/02/88/471640288.db2.gz IZTNRIKBFRDTSD-UHFFFAOYSA-N 1 2 331.464 2.079 20 30 EEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661326323 471716511 /nfs/dbraw/zinc/71/65/11/471716511.db2.gz PZRFXDODFXJHGB-OALUTQOASA-N 1 2 343.471 2.290 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@@H](C)CO ZINC000654243852 471883761 /nfs/dbraw/zinc/88/37/61/471883761.db2.gz WJLXTFJDYSCEGQ-KHIZAZIESA-N 1 2 329.400 2.428 20 30 EEEDLO C=CCC1(C(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)CCOCC1 ZINC000424664580 534584098 /nfs/dbraw/zinc/58/40/98/534584098.db2.gz MFRMGKMZNQZCAT-UHFFFAOYSA-N 1 2 349.500 2.469 20 30 EEEDLO C=CC[N@H+](Cc1c[nH]nc1-c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361175 526332309 /nfs/dbraw/zinc/33/23/09/526332309.db2.gz AQSLTMIOVXCQQZ-CYBMUJFWSA-N 1 2 337.470 2.313 20 30 EEEDLO C=CC[N@@H+](Cc1c[nH]nc1-c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361175 526332321 /nfs/dbraw/zinc/33/23/21/526332321.db2.gz AQSLTMIOVXCQQZ-CYBMUJFWSA-N 1 2 337.470 2.313 20 30 EEEDLO CC#CCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000365700893 526377677 /nfs/dbraw/zinc/37/76/77/526377677.db2.gz AFMFDPAUXJFCRV-HZPDHXFCSA-N 1 2 335.835 2.034 20 30 EEEDLO CC#CCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000365700893 526377680 /nfs/dbraw/zinc/37/76/80/526377680.db2.gz AFMFDPAUXJFCRV-HZPDHXFCSA-N 1 2 335.835 2.034 20 30 EEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCCCOc1cccc(Cl)c1 ZINC000112335456 526689664 /nfs/dbraw/zinc/68/96/64/526689664.db2.gz NXHHXBPEJZJCSQ-UHFFFAOYSA-N 1 2 327.812 2.312 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1C ZINC000291955378 527294633 /nfs/dbraw/zinc/29/46/33/527294633.db2.gz UTJCRWMETHBNTO-CQSZACIVSA-N 1 2 326.387 2.423 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c1C ZINC000291955378 527294638 /nfs/dbraw/zinc/29/46/38/527294638.db2.gz UTJCRWMETHBNTO-CQSZACIVSA-N 1 2 326.387 2.423 20 30 EEEDLO C=CCN(CC=C)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000111896570 527623327 /nfs/dbraw/zinc/62/33/27/527623327.db2.gz HCBJOHUQUSJGPM-LJQANCHMSA-N 1 2 343.471 2.314 20 30 EEEDLO CC1CCN(c2ccc(CNC(=O)C3(C#N)CCOCC3)c[nH+]2)CC1 ZINC000109140331 528264374 /nfs/dbraw/zinc/26/43/74/528264374.db2.gz CWMOGVMASPXHTL-UHFFFAOYSA-N 1 2 342.443 2.254 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000730106997 576716251 /nfs/dbraw/zinc/71/62/51/576716251.db2.gz XHYDOTSTLLLPIR-HNNXBMFYSA-N 1 2 339.355 2.021 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000730106997 576716252 /nfs/dbraw/zinc/71/62/52/576716252.db2.gz XHYDOTSTLLLPIR-HNNXBMFYSA-N 1 2 339.355 2.021 20 30 EEEDLO C=CC[N@@H+](Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O)C1CC1 ZINC000771643102 577223375 /nfs/dbraw/zinc/22/33/75/577223375.db2.gz WKPSAHYWIHYADK-UHFFFAOYSA-N 1 2 328.372 2.464 20 30 EEEDLO C=CC[N@H+](Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O)C1CC1 ZINC000771643102 577223376 /nfs/dbraw/zinc/22/33/76/577223376.db2.gz WKPSAHYWIHYADK-UHFFFAOYSA-N 1 2 328.372 2.464 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(-c2ccccc2F)c1C ZINC000772143738 577254514 /nfs/dbraw/zinc/25/45/14/577254514.db2.gz ROBCHDWVPLNIDO-KRWDZBQOSA-N 1 2 326.375 2.356 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(-c2ccccc2F)c1C ZINC000772143738 577254515 /nfs/dbraw/zinc/25/45/15/577254515.db2.gz ROBCHDWVPLNIDO-KRWDZBQOSA-N 1 2 326.375 2.356 20 30 EEEDLO C#C[C@H](NC(=O)NCCC[N@@H+](CC)c1ccccc1)[C@@H]1CCCO1 ZINC000773138308 577318466 /nfs/dbraw/zinc/31/84/66/577318466.db2.gz UDPVNBITMUUSAG-ROUUACIJSA-N 1 2 329.444 2.383 20 30 EEEDLO C#C[C@H](NC(=O)NCCC[N@H+](CC)c1ccccc1)[C@@H]1CCCO1 ZINC000773138308 577318469 /nfs/dbraw/zinc/31/84/69/577318469.db2.gz UDPVNBITMUUSAG-ROUUACIJSA-N 1 2 329.444 2.383 20 30 EEEDLO Cc1ccn(CN2CCc3c([nH+]cn3-c3ccccc3)C2)c(=O)c1C#N ZINC000758245897 577619931 /nfs/dbraw/zinc/61/99/31/577619931.db2.gz BLUJLWXMAMHNAB-UHFFFAOYSA-N 1 2 345.406 2.230 20 30 EEEDLO C=CC[N@@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000759849435 577651967 /nfs/dbraw/zinc/65/19/67/577651967.db2.gz FKTFAOIANGYEMO-SWLSCSKDSA-N 1 2 347.839 2.188 20 30 EEEDLO C=CC[N@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000759849435 577651968 /nfs/dbraw/zinc/65/19/68/577651968.db2.gz FKTFAOIANGYEMO-SWLSCSKDSA-N 1 2 347.839 2.188 20 30 EEEDLO c1cn(-c2ccc(N=NCC[C@H]3CCCCC34OCCO4)nn2)c[nH+]1 ZINC000761855201 577690152 /nfs/dbraw/zinc/69/01/52/577690152.db2.gz LANQVNCBSPXKRH-CQSZACIVSA-N 1 2 342.403 2.383 20 30 EEEDLO C#C[C@H](CC)NC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000753243935 577783788 /nfs/dbraw/zinc/78/37/88/577783788.db2.gz VVOOWUHNXNIFEQ-QGZVFWFLSA-N 1 2 329.444 2.243 20 30 EEEDLO C#CCOCCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000755441069 577825204 /nfs/dbraw/zinc/82/52/04/577825204.db2.gz RUSMAWDWKWFRGS-MRXNPFEDSA-N 1 2 331.803 2.319 20 30 EEEDLO CC(C)C[N@H+](CCC#N)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000755676165 577829020 /nfs/dbraw/zinc/82/90/20/577829020.db2.gz ZREOQOXOTWFFMU-UHFFFAOYSA-N 1 2 344.459 2.333 20 30 EEEDLO CC(C)C[N@@H+](CCC#N)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000755676165 577829021 /nfs/dbraw/zinc/82/90/21/577829021.db2.gz ZREOQOXOTWFFMU-UHFFFAOYSA-N 1 2 344.459 2.333 20 30 EEEDLO COc1ccccc1N1CC[C@@H](O[NH+]=C(N)c2ccc(F)cc2)C1=O ZINC000756849544 577851276 /nfs/dbraw/zinc/85/12/76/577851276.db2.gz UFHQUUCMWALOKJ-MRXNPFEDSA-N 1 2 343.358 2.277 20 30 EEEDLO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000757986862 577867710 /nfs/dbraw/zinc/86/77/10/577867710.db2.gz RFJBJQNQSBHQBN-OAHLLOKOSA-N 1 2 344.434 2.220 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000744425369 577897438 /nfs/dbraw/zinc/89/74/38/577897438.db2.gz LDWGUIJKTDKGMC-UHFFFAOYSA-N 1 2 327.211 2.150 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2ccc(OCc3cccnc3)cc2)CC1 ZINC000744422464 577897545 /nfs/dbraw/zinc/89/75/45/577897545.db2.gz SYUYHTWMISPASC-UHFFFAOYSA-N 1 2 335.407 2.052 20 30 EEEDLO C#CCN(CC#CC)C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000745795262 577918739 /nfs/dbraw/zinc/91/87/39/577918739.db2.gz DJAJWBLPSWGBMC-UHFFFAOYSA-N 1 2 339.439 2.332 20 30 EEEDLO C=CC[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccncc1 ZINC000745827497 577919180 /nfs/dbraw/zinc/91/91/80/577919180.db2.gz KXQHWGJPHDAUQZ-QZTJIDSGSA-N 1 2 344.459 2.205 20 30 EEEDLO C[C@H]1CN(c2ccccc2C=[NH+]Nc2ccnc(N(C)C)n2)CCO1 ZINC000739410834 578052532 /nfs/dbraw/zinc/05/25/32/578052532.db2.gz CDVGFRIZRZSBQZ-AWEZNQCLSA-N 1 2 340.431 2.214 20 30 EEEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2ccncc2Cl)C1 ZINC000969461795 675057828 /nfs/dbraw/zinc/05/78/28/675057828.db2.gz AVLHUYGXVJGMMI-LLVKDONJSA-N 1 2 343.818 2.185 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nc(COC)no3)C2)CC1 ZINC000969830139 675235665 /nfs/dbraw/zinc/23/56/65/675235665.db2.gz FECUODAYOWNUEJ-UKRRQHHQSA-N 1 2 348.447 2.214 20 30 EEEDLO C[C@@H](NC(=O)c1ccsn1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969931117 675318753 /nfs/dbraw/zinc/31/87/53/675318753.db2.gz IBNVIDPUXJAINS-LLVKDONJSA-N 1 2 344.415 2.404 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc(CNC(C)=O)c2)C1 ZINC000970900649 676225559 /nfs/dbraw/zinc/22/55/59/676225559.db2.gz CWURWCUQNKVWOZ-ZDUSSCGKSA-N 1 2 349.862 2.125 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CC[C@H]2CCCO2)C1 ZINC000971127119 676397413 /nfs/dbraw/zinc/39/74/13/676397413.db2.gz ZZMHHFAVUXKWBD-UONOGXRCSA-N 1 2 345.281 2.387 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)CC[C@H]2CCCO2)C1 ZINC000971127119 676397416 /nfs/dbraw/zinc/39/74/16/676397416.db2.gz ZZMHHFAVUXKWBD-UONOGXRCSA-N 1 2 345.281 2.387 20 30 EEEDLO 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679386321 /nfs/dbraw/zinc/38/63/21/679386321.db2.gz QIADNSZVKOFBMZ-MRXNPFEDSA-N 1 2 340.402 2.042 20 30 EEEDLO O=C(NC[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1[nH]ncc1F ZINC001023572968 679386322 /nfs/dbraw/zinc/38/63/22/679386322.db2.gz QIADNSZVKOFBMZ-MRXNPFEDSA-N 1 2 340.402 2.042 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccccc3Cl)C2)C1 ZINC000972651266 679510557 /nfs/dbraw/zinc/51/05/57/679510557.db2.gz SYGVZMCPKLOIJG-GOSISDBHSA-N 1 2 332.831 2.280 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccccc3Cl)C2)C1 ZINC000972651266 679510560 /nfs/dbraw/zinc/51/05/60/679510560.db2.gz SYGVZMCPKLOIJG-GOSISDBHSA-N 1 2 332.831 2.280 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000972654316 679516801 /nfs/dbraw/zinc/51/68/01/679516801.db2.gz OOCFZYZXYWTINI-YFFNCEPWSA-N 1 2 342.483 2.139 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000972654316 679516804 /nfs/dbraw/zinc/51/68/04/679516804.db2.gz OOCFZYZXYWTINI-YFFNCEPWSA-N 1 2 342.483 2.139 20 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/nfs/dbraw/zinc/77/50/07/679775007.db2.gz QTUGJDWVFAZADV-QGZVFWFLSA-N 1 2 338.411 2.495 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)CC2(C)C)on1 ZINC000972797223 679783115 /nfs/dbraw/zinc/78/31/15/679783115.db2.gz SUWKIHOQFYTGPU-GOSISDBHSA-N 1 2 337.423 2.475 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC2(C)C)on1 ZINC000972797223 679783116 /nfs/dbraw/zinc/78/31/16/679783116.db2.gz SUWKIHOQFYTGPU-GOSISDBHSA-N 1 2 337.423 2.475 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-c3cc[nH]n3)s2)C(C)(C)C1 ZINC000974702447 685269963 /nfs/dbraw/zinc/26/99/63/685269963.db2.gz YJTHKWKUAXHFAQ-OAHLLOKOSA-N 1 2 328.441 2.212 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(-c3cc[nH]n3)s2)C(C)(C)C1 ZINC000974702447 685269968 /nfs/dbraw/zinc/26/99/68/685269968.db2.gz YJTHKWKUAXHFAQ-OAHLLOKOSA-N 1 2 328.441 2.212 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1CNC(=O)c1ccnnc1 ZINC001024673161 681331664 /nfs/dbraw/zinc/33/16/64/681331664.db2.gz JFXFUBYCBUBJBU-SFHVURJKSA-N 1 2 335.411 2.133 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnnc1 ZINC001024673161 681331665 /nfs/dbraw/zinc/33/16/65/681331665.db2.gz JFXFUBYCBUBJBU-SFHVURJKSA-N 1 2 335.411 2.133 20 30 EEEDLO C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000982824426 681334756 /nfs/dbraw/zinc/33/47/56/681334756.db2.gz IXDNTAWUOOBKDU-WMLDXEAASA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000982824426 681334759 /nfs/dbraw/zinc/33/47/59/681334759.db2.gz IXDNTAWUOOBKDU-WMLDXEAASA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000982828513 681343628 /nfs/dbraw/zinc/34/36/28/681343628.db2.gz XUBGUQOAHSJKIH-QFBILLFUSA-N 1 2 344.430 2.137 20 30 EEEDLO C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000982828513 681343631 /nfs/dbraw/zinc/34/36/31/681343631.db2.gz XUBGUQOAHSJKIH-QFBILLFUSA-N 1 2 344.430 2.137 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2nncn2c1 ZINC001024709850 681368757 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/nfs/dbraw/zinc/47/84/77/1193478477.db2.gz FGJFRJNRFGNJSR-FQEVSTJZSA-N 1 2 344.430 2.255 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2-c2ccccn2)[C@H]1C ZINC001088612336 1187673215 /nfs/dbraw/zinc/67/32/15/1187673215.db2.gz LVRVZVJISMBTIW-OCCSQVGLSA-N 1 2 345.834 2.417 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2-c2ccccn2)[C@H]1C ZINC001088612336 1187673222 /nfs/dbraw/zinc/67/32/22/1187673222.db2.gz LVRVZVJISMBTIW-OCCSQVGLSA-N 1 2 345.834 2.417 20 30 EEEDLO CCCC#CC(=O)N1C[C@@H]2C[N@@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001272109240 1187914695 /nfs/dbraw/zinc/91/46/95/1187914695.db2.gz MFXKZMXDEIZFML-OKILXGFUSA-N 1 2 332.366 2.044 20 30 EEEDLO CCCC#CC(=O)N1C[C@@H]2C[N@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001272109240 1187914696 /nfs/dbraw/zinc/91/46/96/1187914696.db2.gz MFXKZMXDEIZFML-OKILXGFUSA-N 1 2 332.366 2.044 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N(C)CCN(C)c3ncccc3C#N)ccn12 ZINC001105471857 1187967530 /nfs/dbraw/zinc/96/75/30/1187967530.db2.gz AMGKHZINIHBHNE-UHFFFAOYSA-N 1 2 348.410 2.118 20 30 EEEDLO C=CCCOCCCCC(=O)N(C)CCN(C)c1cc[nH+]c(C)n1 ZINC001105476304 1188068219 /nfs/dbraw/zinc/06/82/19/1188068219.db2.gz BRSWCSJUOHEBHE-UHFFFAOYSA-N 1 2 334.464 2.443 20 30 EEEDLO COC1(CCON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)CCC1 ZINC000842023576 1188234887 /nfs/dbraw/zinc/23/48/87/1188234887.db2.gz FFZNAWUAKAZYQZ-UHFFFAOYSA-N 1 2 347.459 2.115 20 30 EEEDLO NC(=[NH+]OC[C@H]1CCNC(=O)CC1)c1ccc(Br)cc1 ZINC000842039644 1188239416 /nfs/dbraw/zinc/23/94/16/1188239416.db2.gz NGFGAVKSQHVPGX-SNVBAGLBSA-N 1 2 340.221 2.002 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N(CC)[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001126817572 1188447791 /nfs/dbraw/zinc/44/77/91/1188447791.db2.gz BIJQBVATPQDFCH-RDJZCZTQSA-N 1 2 344.459 2.031 20 30 EEEDLO C#CCCCC(=O)NCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001076297786 1188838963 /nfs/dbraw/zinc/83/89/63/1188838963.db2.gz KCIOYOJCRWSDEV-AWEZNQCLSA-N 1 2 329.444 2.435 20 30 EEEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc3occc3c1)C2 ZINC001272880896 1193591013 /nfs/dbraw/zinc/59/10/13/1193591013.db2.gz RMPJFDZBLDSCOU-UHFFFAOYSA-N 1 2 326.396 2.422 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001076545883 1188988195 /nfs/dbraw/zinc/98/81/95/1188988195.db2.gz MDEDKOWPWGUASN-GJZGRUSLSA-N 1 2 334.464 2.448 20 30 EEEDLO C=CCN1c2ccccc2C2(CC[NH+](CC(=O)OCC)CC2)C1=O ZINC001272889646 1193592840 /nfs/dbraw/zinc/59/28/40/1193592840.db2.gz QQGCXOOTJQGGKJ-UHFFFAOYSA-N 1 2 328.412 2.116 20 30 EEEDLO C=CCCCC(=O)N[C@@H](C)CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001076941344 1189242917 /nfs/dbraw/zinc/24/29/17/1189242917.db2.gz AAXKKDFYHWRSKC-YJBOKZPZSA-N 1 2 346.475 2.052 20 30 EEEDLO Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C#N)n(C)c2)c1 ZINC001272395576 1190799970 /nfs/dbraw/zinc/79/99/70/1190799970.db2.gz BDQZAPIOQCQUSN-HDICACEKSA-N 1 2 349.438 2.089 20 30 EEEDLO Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C#N)n(C)c2)c1 ZINC001272395576 1190799972 /nfs/dbraw/zinc/79/99/72/1190799972.db2.gz BDQZAPIOQCQUSN-HDICACEKSA-N 1 2 349.438 2.089 20 30 EEEDLO C=CCN1C(=O)COCC12C[NH+](Cc1ccc(OC(C)C)cc1)C2 ZINC001273007373 1194313795 /nfs/dbraw/zinc/31/37/95/1194313795.db2.gz COBWVMJZSGMOHA-UHFFFAOYSA-N 1 2 330.428 2.073 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1noc2c1CCCCC2 ZINC001018010425 1224210080 /nfs/dbraw/zinc/21/00/80/1224210080.db2.gz UBRKBTXOZJLNSC-GASCZTMLSA-N 1 2 327.428 2.256 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1noc2c1CCCCC2 ZINC001018010425 1224210085 /nfs/dbraw/zinc/21/00/85/1224210085.db2.gz UBRKBTXOZJLNSC-GASCZTMLSA-N 1 2 327.428 2.256 20 30 EEEDLO C=CCCOCC(=O)NCc1cnn2c1C[N@H+](CC/C=C/CC)CC2 ZINC001128602447 1194469417 /nfs/dbraw/zinc/46/94/17/1194469417.db2.gz IUZKPIAGDUYRKI-FNORWQNLSA-N 1 2 346.475 2.264 20 30 EEEDLO C=CCCOCC(=O)NCc1cnn2c1C[N@@H+](CC/C=C/CC)CC2 ZINC001128602447 1194469418 /nfs/dbraw/zinc/46/94/18/1194469418.db2.gz IUZKPIAGDUYRKI-FNORWQNLSA-N 1 2 346.475 2.264 20 30 EEEDLO Cc1nocc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033379767 1194493819 /nfs/dbraw/zinc/49/38/19/1194493819.db2.gz ZHQSNOFQDCBHGN-GFCCVEGCSA-N 1 2 330.413 2.263 20 30 EEEDLO Cc1nocc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033379767 1194493824 /nfs/dbraw/zinc/49/38/24/1194493824.db2.gz ZHQSNOFQDCBHGN-GFCCVEGCSA-N 1 2 330.413 2.263 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001033431080 1194566871 /nfs/dbraw/zinc/56/68/71/1194566871.db2.gz ATBBHWBXAIVVFD-UXLLHSPISA-N 1 2 349.862 2.359 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001033431080 1194566873 /nfs/dbraw/zinc/56/68/73/1194566873.db2.gz ATBBHWBXAIVVFD-UXLLHSPISA-N 1 2 349.862 2.359 20 30 EEEDLO CCc1oncc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033467210 1194606444 /nfs/dbraw/zinc/60/64/44/1194606444.db2.gz ORSNBUDWYJTPIP-MRXNPFEDSA-N 1 2 338.411 2.455 20 30 EEEDLO CCc1oncc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033467210 1194606449 /nfs/dbraw/zinc/60/64/49/1194606449.db2.gz ORSNBUDWYJTPIP-MRXNPFEDSA-N 1 2 338.411 2.455 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CCCOC2)C1 ZINC001033547442 1194698029 /nfs/dbraw/zinc/69/80/29/1194698029.db2.gz ZZJMKYPZLDVLKP-ZFWWWQNUSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CCCOC2)C1 ZINC001033547442 1194698032 /nfs/dbraw/zinc/69/80/32/1194698032.db2.gz ZZJMKYPZLDVLKP-ZFWWWQNUSA-N 1 2 345.281 2.244 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2cccc(OC)c21 ZINC001018040242 1224247623 /nfs/dbraw/zinc/24/76/23/1224247623.db2.gz CMKJEFNMMNUFNO-KSZLIROESA-N 1 2 338.451 2.424 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2cccc(OC)c21 ZINC001018040242 1224247634 /nfs/dbraw/zinc/24/76/34/1224247634.db2.gz CMKJEFNMMNUFNO-KSZLIROESA-N 1 2 338.451 2.424 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]2C)CC1 ZINC001005241164 1194969280 /nfs/dbraw/zinc/96/92/80/1194969280.db2.gz FDPRTOLCBFTAHA-HOCLYGCPSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2[nH]nc3ccccc32)C1 ZINC001033684883 1195066340 /nfs/dbraw/zinc/06/63/40/1195066340.db2.gz NLQQKRWYOOOFCP-ZDUSSCGKSA-N 1 2 332.835 2.391 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2[nH]nc3ccccc32)C1 ZINC001033684883 1195066343 /nfs/dbraw/zinc/06/63/43/1195066343.db2.gz NLQQKRWYOOOFCP-ZDUSSCGKSA-N 1 2 332.835 2.391 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001033800975 1195273560 /nfs/dbraw/zinc/27/35/60/1195273560.db2.gz FRGYZJJDWZLFTK-AWEZNQCLSA-N 1 2 343.456 2.388 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001033800975 1195273562 /nfs/dbraw/zinc/27/35/62/1195273562.db2.gz FRGYZJJDWZLFTK-AWEZNQCLSA-N 1 2 343.456 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(Cl)n(C)n2)C1 ZINC001033893599 1195459496 /nfs/dbraw/zinc/45/94/96/1195459496.db2.gz YJLCWKFKCDJPQS-LLVKDONJSA-N 1 2 331.247 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(Cl)n(C)n2)C1 ZINC001033893599 1195459501 /nfs/dbraw/zinc/45/95/01/1195459501.db2.gz YJLCWKFKCDJPQS-LLVKDONJSA-N 1 2 331.247 2.362 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001034013062 1195632104 /nfs/dbraw/zinc/63/21/04/1195632104.db2.gz BBDNSUYQVGVREW-UKRRQHHQSA-N 1 2 336.867 2.190 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001034013062 1195632106 /nfs/dbraw/zinc/63/21/06/1195632106.db2.gz BBDNSUYQVGVREW-UKRRQHHQSA-N 1 2 336.867 2.190 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H](NC(=O)c2cnsn2)C1 ZINC001034114438 1195796003 /nfs/dbraw/zinc/79/60/03/1195796003.db2.gz OKBCNWCKTHDQAF-OAHLLOKOSA-N 1 2 341.440 2.194 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H](NC(=O)c2cnsn2)C1 ZINC001034114438 1195796004 /nfs/dbraw/zinc/79/60/04/1195796004.db2.gz OKBCNWCKTHDQAF-OAHLLOKOSA-N 1 2 341.440 2.194 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)s1 ZINC001034164928 1195882641 /nfs/dbraw/zinc/88/26/41/1195882641.db2.gz JLKRXBWGNVVFRD-AWEZNQCLSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1cnc(C[N@H+]2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)s1 ZINC001034164928 1195882646 /nfs/dbraw/zinc/88/26/46/1195882646.db2.gz JLKRXBWGNVVFRD-AWEZNQCLSA-N 1 2 343.456 2.436 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(Cl)n(C)n2)C1 ZINC001034300483 1196068605 /nfs/dbraw/zinc/06/86/05/1196068605.db2.gz MFYULVKEPQRKNQ-LLVKDONJSA-N 1 2 331.247 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(Cl)n(C)n2)C1 ZINC001034300483 1196068607 /nfs/dbraw/zinc/06/86/07/1196068607.db2.gz MFYULVKEPQRKNQ-LLVKDONJSA-N 1 2 331.247 2.410 20 30 EEEDLO Cc1ccncc1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001014776891 1224334212 /nfs/dbraw/zinc/33/42/12/1224334212.db2.gz RMLAYHMVFJNRJS-IBGZPJMESA-N 1 2 334.423 2.195 20 30 EEEDLO Cc1ccncc1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001014776891 1224334216 /nfs/dbraw/zinc/33/42/16/1224334216.db2.gz RMLAYHMVFJNRJS-IBGZPJMESA-N 1 2 334.423 2.195 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001078972343 1196494053 /nfs/dbraw/zinc/49/40/53/1196494053.db2.gz VHWWNDBLNOTVQQ-NVXWUHKLSA-N 1 2 346.475 2.394 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001078972343 1196494055 /nfs/dbraw/zinc/49/40/55/1196494055.db2.gz VHWWNDBLNOTVQQ-NVXWUHKLSA-N 1 2 346.475 2.394 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1C[C@@H](C)[C@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001090256817 1196664299 /nfs/dbraw/zinc/66/42/99/1196664299.db2.gz VRHVHLJMFUICLY-XWIAVFTESA-N 1 2 332.448 2.009 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CCCC[C@@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001129019966 1196798200 /nfs/dbraw/zinc/79/82/00/1196798200.db2.gz FHAQSPHUXPPVEA-KSZLIROESA-N 1 2 345.491 2.249 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CCCC[C@@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001129019966 1196798205 /nfs/dbraw/zinc/79/82/05/1196798205.db2.gz FHAQSPHUXPPVEA-KSZLIROESA-N 1 2 345.491 2.249 20 30 EEEDLO Cc1cccc(C)c1C[NH+]1CC2(C1)CN(CCCC#N)C(=O)CO2 ZINC001273266448 1197891752 /nfs/dbraw/zinc/89/17/52/1197891752.db2.gz YBXZHLXTQXUUMX-UHFFFAOYSA-N 1 2 327.428 2.020 20 30 EEEDLO C=C[C@@H]([NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C(=O)OC ZINC000871908110 1197966048 /nfs/dbraw/zinc/96/60/48/1197966048.db2.gz XGWBSSXNAMNWJK-MGPQQGTHSA-N 1 2 326.437 2.387 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccccc2)C1 ZINC001132017405 1199212771 /nfs/dbraw/zinc/21/27/71/1199212771.db2.gz OTTNTNIOAPKCNR-SJLPKXTDSA-N 1 2 341.455 2.254 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC001132017405 1199212775 /nfs/dbraw/zinc/21/27/75/1199212775.db2.gz OTTNTNIOAPKCNR-SJLPKXTDSA-N 1 2 341.455 2.254 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccncc2Cl)C1 ZINC001132041954 1199227253 /nfs/dbraw/zinc/22/72/53/1199227253.db2.gz NSZVIJQCGOTIQB-ZBFHGGJFSA-N 1 2 349.862 2.244 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccncc2Cl)C1 ZINC001132041954 1199227258 /nfs/dbraw/zinc/22/72/58/1199227258.db2.gz NSZVIJQCGOTIQB-ZBFHGGJFSA-N 1 2 349.862 2.244 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cnnn2CC)C1 ZINC001132068511 1199259414 /nfs/dbraw/zinc/25/94/14/1199259414.db2.gz GQFJLLDHGGBENX-CABCVRRESA-N 1 2 333.480 2.369 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cnnn2CC)C1 ZINC001132068511 1199259421 /nfs/dbraw/zinc/25/94/21/1199259421.db2.gz GQFJLLDHGGBENX-CABCVRRESA-N 1 2 333.480 2.369 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2ccnc(C)n2)CC[C@@H]1C ZINC001132201123 1199444927 /nfs/dbraw/zinc/44/49/27/1199444927.db2.gz WZSHXSAXTUCGQJ-XJKSGUPXSA-N 1 2 336.867 2.439 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2ccnc(C)n2)CC[C@@H]1C ZINC001132201123 1199444930 /nfs/dbraw/zinc/44/49/30/1199444930.db2.gz WZSHXSAXTUCGQJ-XJKSGUPXSA-N 1 2 336.867 2.439 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=O)NCC(C)C)C2)CC1 ZINC001132291383 1199544888 /nfs/dbraw/zinc/54/48/88/1199544888.db2.gz KIHXGSMGMHJQEP-SJLPKXTDSA-N 1 2 349.519 2.474 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=O)NCC(C)C)C2)CC1 ZINC001132291383 1199544891 /nfs/dbraw/zinc/54/48/91/1199544891.db2.gz KIHXGSMGMHJQEP-SJLPKXTDSA-N 1 2 349.519 2.474 20 30 EEEDLO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)C(C)(C)CC(C)(C)C)CC[C@H]1C ZINC001132504269 1199805290 /nfs/dbraw/zinc/80/52/90/1199805290.db2.gz HDYAOIWEKYLVPK-HZPDHXFCSA-N 1 2 349.519 2.167 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(C)(C)CC(C)(C)C)CC[C@H]1C ZINC001132504269 1199805294 /nfs/dbraw/zinc/80/52/94/1199805294.db2.gz HDYAOIWEKYLVPK-HZPDHXFCSA-N 1 2 349.519 2.167 20 30 EEEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc(Cc2cccc(F)c2)no1 ZINC001133143477 1200496937 /nfs/dbraw/zinc/49/69/37/1200496937.db2.gz WJSKOVXSLKOVEB-UHFFFAOYSA-N 1 2 346.406 2.362 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000879173887 1200904822 /nfs/dbraw/zinc/90/48/22/1200904822.db2.gz HPZKQXWAWONGHO-AWEZNQCLSA-N 1 2 339.480 2.256 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000879173887 1200904830 /nfs/dbraw/zinc/90/48/30/1200904830.db2.gz 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344.459 2.309 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(OC)n1 ZINC001110936649 1206317038 /nfs/dbraw/zinc/31/70/38/1206317038.db2.gz YPNUWBDQNBKRIU-DZUCGIPZSA-N 1 2 344.459 2.309 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928644097 1206406204 /nfs/dbraw/zinc/40/62/04/1206406204.db2.gz OQKPMIHALVBJOB-HNNXBMFYSA-N 1 2 348.443 2.101 20 30 EEEDLO COC(=O)c1cncc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000930334336 1206550160 /nfs/dbraw/zinc/55/01/60/1206550160.db2.gz XSMSVDRFEZIRMG-UHFFFAOYSA-N 1 2 336.395 2.321 20 30 EEEDLO C#CCC1(C(=O)NCC2(Nc3cc[nH+]c(C)n3)CCOCC2)CCC1 ZINC001110993637 1206570761 /nfs/dbraw/zinc/57/07/61/1206570761.db2.gz NOYBZKADYQCHAC-UHFFFAOYSA-N 1 2 342.443 2.056 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ccon2)C[C@H]1C ZINC000947088895 1207681397 /nfs/dbraw/zinc/68/13/97/1207681397.db2.gz KRLYZXKUDNBXII-GHMZBOCLSA-N 1 2 328.210 2.166 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ccon2)C[C@H]1C ZINC000947088895 1207681398 /nfs/dbraw/zinc/68/13/98/1207681398.db2.gz KRLYZXKUDNBXII-GHMZBOCLSA-N 1 2 328.210 2.166 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CCC)C(C)C)C2 ZINC001111081551 1208040373 /nfs/dbraw/zinc/04/03/73/1208040373.db2.gz ZDTDYLUGVLYHOD-VQHPVUNQSA-N 1 2 335.492 2.082 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CCC)C(C)C)C2 ZINC001111081551 1208040375 /nfs/dbraw/zinc/04/03/75/1208040375.db2.gz ZDTDYLUGVLYHOD-VQHPVUNQSA-N 1 2 335.492 2.082 20 30 EEEDLO CCOc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)on1 ZINC001015289460 1225042927 /nfs/dbraw/zinc/04/29/27/1225042927.db2.gz FHJBUSLVSOMHNT-LLVKDONJSA-N 1 2 346.412 2.011 20 30 EEEDLO CCOc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)on1 ZINC001015289460 1225042934 /nfs/dbraw/zinc/04/29/34/1225042934.db2.gz FHJBUSLVSOMHNT-LLVKDONJSA-N 1 2 346.412 2.011 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nc(C)[nH+]c(C)c1C)C2 ZINC001111149875 1208290204 /nfs/dbraw/zinc/29/02/04/1208290204.db2.gz 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C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](CC)C1 ZINC000948497566 1209176259 /nfs/dbraw/zinc/17/62/59/1209176259.db2.gz GNBZZSCLMPXRIU-GJZGRUSLSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](CC)C2)C1 ZINC000948538332 1209204205 /nfs/dbraw/zinc/20/42/05/1209204205.db2.gz HPOYMRFWCONORR-GJZGRUSLSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCC[N@H+](Cc3nnc(C)[nH]3)CC2)C1 ZINC000948753544 1209348891 /nfs/dbraw/zinc/34/88/91/1209348891.db2.gz NCKJIZSPSAGXDX-HNNXBMFYSA-N 1 2 331.464 2.282 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3nnc(C)[nH]3)CC2)C1 ZINC000948753544 1209348895 /nfs/dbraw/zinc/34/88/95/1209348895.db2.gz NCKJIZSPSAGXDX-HNNXBMFYSA-N 1 2 331.464 2.282 20 30 EEEDLO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1coc(COC)n1 ZINC000948974328 1209482715 /nfs/dbraw/zinc/48/27/15/1209482715.db2.gz DSAMQOHAOKJMQU-KRWDZBQOSA-N 1 2 341.411 2.336 20 30 EEEDLO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1coc(COC)n1 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328.338 2.212 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc(C)c1C(F)(F)F ZINC001017947663 1227907783 /nfs/dbraw/zinc/90/77/83/1227907783.db2.gz XIEHKCDDZXRSGB-PHIMTYICSA-N 1 2 328.338 2.212 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)cc1F ZINC001018878760 1228481381 /nfs/dbraw/zinc/48/13/81/1228481381.db2.gz SGKKDUIJCKAOEA-AAEUAGOBSA-N 1 2 347.287 2.288 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)cc1F ZINC001018878760 1228481387 /nfs/dbraw/zinc/48/13/87/1228481387.db2.gz SGKKDUIJCKAOEA-AAEUAGOBSA-N 1 2 347.287 2.288 20 30 EEEDLO COC1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1 ZINC001038639877 1228920724 /nfs/dbraw/zinc/92/07/24/1228920724.db2.gz SLPQHGQYWAIQRX-IOJLRTSASA-N 1 2 340.467 2.434 20 30 EEEDLO COC1CCC(C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)CC1 ZINC001038639877 1228920727 /nfs/dbraw/zinc/92/07/27/1228920727.db2.gz SLPQHGQYWAIQRX-IOJLRTSASA-N 1 2 340.467 2.434 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]([NH2+][C@H](C)c2csnn2)C1 ZINC001019708619 1229272371 /nfs/dbraw/zinc/27/23/71/1229272371.db2.gz NQFXFUKUNJMKDU-CJNGLKHVSA-N 1 2 340.452 2.014 20 30 EEEDLO Cc1n[nH]c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)c1C ZINC001020037350 1229451966 /nfs/dbraw/zinc/45/19/66/1229451966.db2.gz RLTAXNMPZLLBQG-SHTZXODSSA-N 1 2 341.390 2.088 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1c(C)noc1CC ZINC001038265728 1229712751 /nfs/dbraw/zinc/71/27/51/1229712751.db2.gz GUBLXPVCKHOORQ-UXLLHSPISA-N 1 2 347.459 2.217 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1c(C)noc1CC ZINC001038265728 1229712757 /nfs/dbraw/zinc/71/27/57/1229712757.db2.gz GUBLXPVCKHOORQ-UXLLHSPISA-N 1 2 347.459 2.217 20 30 EEEDLO Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c(C2CC2)n1 ZINC001038296187 1229728496 /nfs/dbraw/zinc/72/84/96/1229728496.db2.gz DDGPMTCESFZWTI-QGZVFWFLSA-N 1 2 349.438 2.173 20 30 EEEDLO Cn1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)c(C2CC2)n1 ZINC001038296187 1229728497 /nfs/dbraw/zinc/72/84/97/1229728497.db2.gz DDGPMTCESFZWTI-QGZVFWFLSA-N 1 2 349.438 2.173 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccn(C(F)F)n2)cc1 ZINC001038304197 1229732361 /nfs/dbraw/zinc/73/23/61/1229732361.db2.gz SIBQTJIIIOADSW-AWEZNQCLSA-N 1 2 345.353 2.154 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccn(C(F)F)n2)cc1 ZINC001038304197 1229732363 /nfs/dbraw/zinc/73/23/63/1229732363.db2.gz SIBQTJIIIOADSW-AWEZNQCLSA-N 1 2 345.353 2.154 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CCCn2nccc21 ZINC001038433591 1229816585 /nfs/dbraw/zinc/81/65/85/1229816585.db2.gz UNCYAJSCAJLBMB-RTBURBONSA-N 1 2 348.450 2.003 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CCCn2nccc21 ZINC001038433591 1229816592 /nfs/dbraw/zinc/81/65/92/1229816592.db2.gz UNCYAJSCAJLBMB-RTBURBONSA-N 1 2 348.450 2.003 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001038662356 1229959403 /nfs/dbraw/zinc/95/94/03/1229959403.db2.gz QSEYVXMTLDPLNN-WMZOPIPTSA-N 1 2 347.503 2.324 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001038662356 1229959405 /nfs/dbraw/zinc/95/94/05/1229959405.db2.gz QSEYVXMTLDPLNN-WMZOPIPTSA-N 1 2 347.503 2.324 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC001038668933 1229963766 /nfs/dbraw/zinc/96/37/66/1229963766.db2.gz XXYBUTAQPCOHIR-ZWKOTPCHSA-N 1 2 345.487 2.077 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2[C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC001038668933 1229963769 /nfs/dbraw/zinc/96/37/69/1229963769.db2.gz XXYBUTAQPCOHIR-ZWKOTPCHSA-N 1 2 345.487 2.077 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1C[C@H]1c1cccnc1 ZINC001038724444 1229998095 /nfs/dbraw/zinc/99/80/95/1229998095.db2.gz AVDYJPZNUOWKAY-PCCBWWKXSA-N 1 2 345.446 2.427 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1C[C@H]1c1cccnc1 ZINC001038724444 1229998097 /nfs/dbraw/zinc/99/80/97/1229998097.db2.gz AVDYJPZNUOWKAY-PCCBWWKXSA-N 1 2 345.446 2.427 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)(Nc2ncccc2C#N)CC1 ZINC001067268952 1230022795 /nfs/dbraw/zinc/02/27/95/1230022795.db2.gz FLOBJKLSFJASED-UHFFFAOYSA-N 1 2 338.415 2.021 20 30 EEEDLO CC(C)c1nnc(C[N@@H+]2CCC[C@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)o1 ZINC001040120056 1231035708 /nfs/dbraw/zinc/03/57/08/1231035708.db2.gz LQYWWDVQPFVOIH-KDOFPFPSSA-N 1 2 345.447 2.167 20 30 EEEDLO CC(C)c1nnc(C[N@H+]2CCC[C@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)o1 ZINC001040120056 1231035711 /nfs/dbraw/zinc/03/57/11/1231035711.db2.gz LQYWWDVQPFVOIH-KDOFPFPSSA-N 1 2 345.447 2.167 20 30 EEEDLO Cc1noc([C@H](C)[N@@H+]2CCC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)n1 ZINC001040199170 1231095260 /nfs/dbraw/zinc/09/52/60/1231095260.db2.gz ZBWJDYDXMLOGIQ-IFXJQAMLSA-N 1 2 342.443 2.167 20 30 EEEDLO Cc1noc([C@H](C)[N@H+]2CCC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)n1 ZINC001040199170 1231095263 /nfs/dbraw/zinc/09/52/63/1231095263.db2.gz ZBWJDYDXMLOGIQ-IFXJQAMLSA-N 1 2 342.443 2.167 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC2(C1)CC[NH+](Cc1cnn(CC)n1)CC2 ZINC001040801808 1231372734 /nfs/dbraw/zinc/37/27/34/1231372734.db2.gz BMGDXTOXYMFPBZ-UHFFFAOYSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(C1)CC[NH+](Cc1ncnn1C)CC2 ZINC001040829391 1231381841 /nfs/dbraw/zinc/38/18/41/1231381841.db2.gz CEQXYMNXKOJCNP-SFHVURJKSA-N 1 2 345.491 2.232 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](Cc3nnc(C)[nH]3)C2)C1 ZINC001041537470 1231586821 /nfs/dbraw/zinc/58/68/21/1231586821.db2.gz XMQKAOMCOKOWKV-GOSISDBHSA-N 1 2 331.464 2.140 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3nnc(C)[nH]3)C2)C1 ZINC001041537470 1231586822 /nfs/dbraw/zinc/58/68/22/1231586822.db2.gz XMQKAOMCOKOWKV-GOSISDBHSA-N 1 2 331.464 2.140 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@@H+](Cc3nc(CC)no3)C2)C1 ZINC001041538666 1231587615 /nfs/dbraw/zinc/58/76/15/1231587615.db2.gz BJILBOMBDBLBRY-SFHVURJKSA-N 1 2 332.448 2.269 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@H+](Cc3nc(CC)no3)C2)C1 ZINC001041538666 1231587619 /nfs/dbraw/zinc/58/76/19/1231587619.db2.gz BJILBOMBDBLBRY-SFHVURJKSA-N 1 2 332.448 2.269 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001042186172 1231944178 /nfs/dbraw/zinc/94/41/78/1231944178.db2.gz DPVTXBZGLBHCNM-CVEARBPZSA-N 1 2 345.491 2.494 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncnn3C(C)C)[C@H]2C1 ZINC001042186172 1231944181 /nfs/dbraw/zinc/94/41/81/1231944181.db2.gz DPVTXBZGLBHCNM-CVEARBPZSA-N 1 2 345.491 2.494 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](CCc2scnc2C)C1 ZINC001042742072 1232153791 /nfs/dbraw/zinc/15/37/91/1232153791.db2.gz BRILSLFIYJAVIO-CVEARBPZSA-N 1 2 349.500 2.118 20 30 EEEDLO C=C1CCC(C(=O)N(C)C2C[NH+](Cc3ccc(C(N)=O)cc3)C2)CC1 ZINC001043750113 1232565310 /nfs/dbraw/zinc/56/53/10/1232565310.db2.gz MHVHPYJAEPVXAB-UHFFFAOYSA-N 1 2 341.455 2.175 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001043922600 1232626208 /nfs/dbraw/zinc/62/62/08/1232626208.db2.gz FPKURTMOJHKBNP-YUTCNCBUSA-N 1 2 347.286 2.304 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](CCOC2CCC2)C1 ZINC001044029277 1232679783 /nfs/dbraw/zinc/67/97/83/1232679783.db2.gz BRTPLRKJNYVJSH-ROUUACIJSA-N 1 2 336.476 2.069 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1Cc3ccncc3C1)C2 ZINC001096019576 1233671705 /nfs/dbraw/zinc/67/17/05/1233671705.db2.gz OGMZYDKTWPLCIU-ORQFMDKSSA-N 1 2 331.847 2.270 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1Cc3ccncc3C1)C2 ZINC001096019576 1233671706 /nfs/dbraw/zinc/67/17/06/1233671706.db2.gz OGMZYDKTWPLCIU-ORQFMDKSSA-N 1 2 331.847 2.270 20 30 EEEDLO CC1(NC(=O)c2ccon2)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001045372208 1233701541 /nfs/dbraw/zinc/70/15/41/1233701541.db2.gz CPSBGHGBHRAUQS-UHFFFAOYSA-N 1 2 342.374 2.470 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2cnsn2)CC1 ZINC001045375439 1233703419 /nfs/dbraw/zinc/70/34/19/1233703419.db2.gz XXMRUTCAVKTEOQ-UHFFFAOYSA-N 1 2 345.266 2.031 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H]2CO[C@@H](C)C2)CC1 ZINC001045490575 1233776370 /nfs/dbraw/zinc/77/63/70/1233776370.db2.gz RHYYJXLJEGDRQU-QWHCGFSZSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnn(CC)n1 ZINC001045840799 1234056238 /nfs/dbraw/zinc/05/62/38/1234056238.db2.gz PWKSSOBCDWKBEM-AOIWGVFYSA-N 1 2 345.491 2.466 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnn(CC)n1 ZINC001045840799 1234056241 /nfs/dbraw/zinc/05/62/41/1234056241.db2.gz PWKSSOBCDWKBEM-AOIWGVFYSA-N 1 2 345.491 2.466 20 30 EEEDLO C[C@@]1(NC(=O)c2cscn2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046192685 1234537707 /nfs/dbraw/zinc/53/77/07/1234537707.db2.gz RGYHKOCSXHUXPP-QGZVFWFLSA-N 1 2 326.425 2.409 20 30 EEEDLO C[C@@]1(NC(=O)c2cscn2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046192685 1234537708 /nfs/dbraw/zinc/53/77/08/1234537708.db2.gz RGYHKOCSXHUXPP-QGZVFWFLSA-N 1 2 326.425 2.409 20 30 EEEDLO N#Cc1c(F)cccc1N(CCCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001096080959 1234558104 /nfs/dbraw/zinc/55/81/04/1234558104.db2.gz KNEGMXYCGJJFET-UHFFFAOYSA-N 1 2 341.390 2.138 20 30 EEEDLO C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001046223247 1234570399 /nfs/dbraw/zinc/57/03/99/1234570399.db2.gz JHRVXCHGFHMAAU-QGZVFWFLSA-N 1 2 343.818 2.329 20 30 EEEDLO C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001046223247 1234570402 /nfs/dbraw/zinc/57/04/02/1234570402.db2.gz JHRVXCHGFHMAAU-QGZVFWFLSA-N 1 2 343.818 2.329 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001046373919 1234722796 /nfs/dbraw/zinc/72/27/96/1234722796.db2.gz IJRJUMORBVYNRC-ACJLOTCBSA-N 1 2 343.431 2.321 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001046373919 1234722800 /nfs/dbraw/zinc/72/28/00/1234722800.db2.gz IJRJUMORBVYNRC-ACJLOTCBSA-N 1 2 343.431 2.321 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnc3cc(OC)ccn32)C1 ZINC001046485442 1234858332 /nfs/dbraw/zinc/85/83/32/1234858332.db2.gz WRYBJGHHJBMQKW-QGZVFWFLSA-N 1 2 348.834 2.290 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnc3cc(OC)ccn32)C1 ZINC001046485442 1234858335 /nfs/dbraw/zinc/85/83/35/1234858335.db2.gz WRYBJGHHJBMQKW-QGZVFWFLSA-N 1 2 348.834 2.290 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001046522103 1234901506 /nfs/dbraw/zinc/90/15/06/1234901506.db2.gz NZHHKTGFHDRAIM-QGZVFWFLSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001046522103 1234901511 /nfs/dbraw/zinc/90/15/11/1234901511.db2.gz NZHHKTGFHDRAIM-QGZVFWFLSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(CCC(N)=O)cc2)C1 ZINC001046601292 1234983612 /nfs/dbraw/zinc/98/36/12/1234983612.db2.gz AWXYGLGVEZHSSL-SFHVURJKSA-N 1 2 349.862 2.051 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(CCC(N)=O)cc2)C1 ZINC001046601292 1234983613 /nfs/dbraw/zinc/98/36/13/1234983613.db2.gz AWXYGLGVEZHSSL-SFHVURJKSA-N 1 2 349.862 2.051 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001046631230 1235013632 /nfs/dbraw/zinc/01/36/32/1235013632.db2.gz CGKDPFBTZHXRQL-RVKKMQEKSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001046631230 1235013634 /nfs/dbraw/zinc/01/36/34/1235013634.db2.gz CGKDPFBTZHXRQL-RVKKMQEKSA-N 1 2 349.862 2.407 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3nc(C)cs3)C2)nc1 ZINC001046781528 1235179654 /nfs/dbraw/zinc/17/96/54/1235179654.db2.gz IQHNILBXOZSURK-SFHVURJKSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](Cc3nc(C)cs3)C2)nc1 ZINC001046781528 1235179657 /nfs/dbraw/zinc/17/96/57/1235179657.db2.gz IQHNILBXOZSURK-SFHVURJKSA-N 1 2 340.452 2.222 20 30 EEEDLO Cc1cc(C)c(C(=O)NC[C@H]2CN(CC#N)CCC2(F)F)c(C)[nH+]1 ZINC001046962544 1235362444 /nfs/dbraw/zinc/36/24/44/1235362444.db2.gz MWSMXKOVVCXILV-AWEZNQCLSA-N 1 2 336.386 2.217 20 30 EEEDLO C[C@@H](CC(=O)N1CCC[C@@H](C2CCN(CC#N)CC2)C1)n1cc[nH+]c1 ZINC001047257702 1235762456 /nfs/dbraw/zinc/76/24/56/1235762456.db2.gz OWMLCJGGCARAPS-FUHWJXTLSA-N 1 2 343.475 2.308 20 30 EEEDLO N#Cc1c(F)cccc1N1CCC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001096175663 1235799206 /nfs/dbraw/zinc/79/92/06/1235799206.db2.gz QSIALMORVUIOPQ-CYBMUJFWSA-N 1 2 341.390 2.138 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1)OCC ZINC001096208320 1236169842 /nfs/dbraw/zinc/16/98/42/1236169842.db2.gz JYZXQHXEBBHUML-HZPDHXFCSA-N 1 2 332.448 2.241 20 30 EEEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(CC(C)(C)C)s2)C1 ZINC001047588495 1236245596 /nfs/dbraw/zinc/24/55/96/1236245596.db2.gz NBASUROCFVTFRU-STQMWFEESA-N 1 2 337.489 2.035 20 30 EEEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(CC(C)(C)C)s2)C1 ZINC001047588495 1236245601 /nfs/dbraw/zinc/24/56/01/1236245601.db2.gz NBASUROCFVTFRU-STQMWFEESA-N 1 2 337.489 2.035 20 30 EEEDLO CCCCC(=O)NCC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC001096266013 1236863092 /nfs/dbraw/zinc/86/30/92/1236863092.db2.gz AJOGZRXPQHVZHW-UHFFFAOYSA-N 1 2 332.423 2.126 20 30 EEEDLO 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/nfs/dbraw/zinc/70/75/75/1237707575.db2.gz UNTAQOMQUTYVKY-UHFFFAOYSA-N 1 2 327.476 2.342 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001056430297 1239368755 /nfs/dbraw/zinc/36/87/55/1239368755.db2.gz PAAUNJDVNIFSHJ-HOTGVXAUSA-N 1 2 344.459 2.291 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([NH2+]Cc3nc(C(F)F)no3)C2)C1 ZINC001000126934 1239972533 /nfs/dbraw/zinc/97/25/33/1239972533.db2.gz DZKMRIQTQFATHL-NSHDSACASA-N 1 2 340.374 2.444 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC12CCN(c1cc[nH+]c(C)n1)CC2 ZINC001096514929 1240799843 /nfs/dbraw/zinc/79/98/43/1240799843.db2.gz JVQDUIPWIWLSJD-MRXNPFEDSA-N 1 2 326.444 2.454 20 30 EEEDLO N#Cc1cc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2cscn2)c[nH]1 ZINC001049431550 1240891861 /nfs/dbraw/zinc/89/18/61/1240891861.db2.gz PAARDNRTFONKDL-JKSUJKDBSA-N 1 2 341.440 2.222 20 30 EEEDLO N#Cc1cc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2cscn2)c[nH]1 ZINC001049431550 1240891865 /nfs/dbraw/zinc/89/18/65/1240891865.db2.gz PAARDNRTFONKDL-JKSUJKDBSA-N 1 2 341.440 2.222 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)C#CC2CC2)oc1C ZINC001049472741 1241053155 /nfs/dbraw/zinc/05/31/55/1241053155.db2.gz VIIXHQPDFFWTBR-IAGOWNOFSA-N 1 2 327.428 2.270 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)C#CC2CC2)oc1C ZINC001049472741 1241053166 /nfs/dbraw/zinc/05/31/66/1241053166.db2.gz VIIXHQPDFFWTBR-IAGOWNOFSA-N 1 2 327.428 2.270 20 30 EEEDLO CN(c1ccc(C#N)nc1)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001057067157 1241571821 /nfs/dbraw/zinc/57/18/21/1241571821.db2.gz DROGVCLNOMUNNA-MRXNPFEDSA-N 1 2 346.394 2.180 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2cnn(C)n2)CC1 ZINC001049691120 1241885743 /nfs/dbraw/zinc/88/57/43/1241885743.db2.gz UPHVBXZYDDRZJE-ZWKOTPCHSA-N 1 2 343.475 2.127 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2cnn(C)n2)CC1 ZINC001049691120 1241885748 /nfs/dbraw/zinc/88/57/48/1241885748.db2.gz UPHVBXZYDDRZJE-ZWKOTPCHSA-N 1 2 343.475 2.127 20 30 EEEDLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CCC(Nc2ncccc2C#N)CC1 ZINC001067911990 1249954582 /nfs/dbraw/zinc/95/45/82/1249954582.db2.gz MTMOLSUQHRDFPZ-UHFFFAOYSA-N 1 2 338.415 2.101 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001073518666 1242550281 /nfs/dbraw/zinc/55/02/81/1242550281.db2.gz UXAMOXPXZFAWOE-GDBMZVCRSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001073925015 1242771355 /nfs/dbraw/zinc/77/13/55/1242771355.db2.gz VCJHPWVJXHMHDS-LSDHHAIUSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001073927911 1242778785 /nfs/dbraw/zinc/77/87/85/1242778785.db2.gz VGOPAYNHFJGWDM-HUUCEWRRSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001074036940 1242915748 /nfs/dbraw/zinc/91/57/48/1242915748.db2.gz SRWHDQUKNCYWBG-RDJZCZTQSA-N 1 2 344.459 2.005 20 30 EEEDLO Cc1ncc(C(=O)N2CCC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)[nH]1 ZINC001049998906 1243005304 /nfs/dbraw/zinc/00/53/04/1243005304.db2.gz PCOGFKAVDOFMQL-PKOBYXMFSA-N 1 2 349.438 2.326 20 30 EEEDLO Cc1ncc(C(=O)N2CCC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)[nH]1 ZINC001049998906 1243005321 /nfs/dbraw/zinc/00/53/21/1243005321.db2.gz PCOGFKAVDOFMQL-PKOBYXMFSA-N 1 2 349.438 2.326 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc4[nH]c(C)nc43)[C@@H]2C1 ZINC001050175297 1243045043 /nfs/dbraw/zinc/04/50/43/1243045043.db2.gz OTHBJLSGHKDAAV-MAUKXSAKSA-N 1 2 336.439 2.431 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc4[nH]c(C)nc43)[C@@H]2C1 ZINC001050175297 1243045049 /nfs/dbraw/zinc/04/50/49/1243045049.db2.gz OTHBJLSGHKDAAV-MAUKXSAKSA-N 1 2 336.439 2.431 20 30 EEEDLO Cn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)c1 ZINC001096951985 1243530833 /nfs/dbraw/zinc/53/08/33/1243530833.db2.gz QVHDQAKYLIYGKL-QRVBRYPASA-N 1 2 334.423 2.432 20 30 EEEDLO Cn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)c1 ZINC001096951985 1243530839 /nfs/dbraw/zinc/53/08/39/1243530839.db2.gz QVHDQAKYLIYGKL-QRVBRYPASA-N 1 2 334.423 2.432 20 30 EEEDLO CCCc1nnc(C[NH+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)CC2)s1 ZINC001050463643 1243655491 /nfs/dbraw/zinc/65/54/91/1243655491.db2.gz WERVQCDHWKISLF-ZDUSSCGKSA-N 1 2 347.488 2.075 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001097238684 1243866757 /nfs/dbraw/zinc/86/67/57/1243866757.db2.gz PBVJDUCAKMDXKW-TXEJJXNPSA-N 1 2 328.420 2.025 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@@H](Nc3[nH+]cnc4c3cnn4C)C2)CCC1 ZINC001097251736 1243897354 /nfs/dbraw/zinc/89/73/54/1243897354.db2.gz JKXWERXWPPIAOR-BETUJISGSA-N 1 2 340.431 2.169 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001097376685 1244070149 /nfs/dbraw/zinc/07/01/49/1244070149.db2.gz NXNPBQPPHWLOJO-OAHLLOKOSA-N 1 2 346.479 2.253 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001050817338 1244435621 /nfs/dbraw/zinc/43/56/21/1244435621.db2.gz RYNVIBDLTNSQTL-HOCLYGCPSA-N 1 2 344.459 2.074 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc2ccccc2n1 ZINC001050955213 1244720464 /nfs/dbraw/zinc/72/04/64/1244720464.db2.gz DRCICWLRIDTXHQ-HNNXBMFYSA-N 1 2 340.427 2.027 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc2ccccc2n1 ZINC001050955213 1244720471 /nfs/dbraw/zinc/72/04/71/1244720471.db2.gz DRCICWLRIDTXHQ-HNNXBMFYSA-N 1 2 340.427 2.027 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3ncnn3CCF)CC2)C1 ZINC001052691217 1244762113 /nfs/dbraw/zinc/76/21/13/1244762113.db2.gz SOQFOOCDNAIFGT-HNNXBMFYSA-N 1 2 349.454 2.075 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3ncnn3CCF)CC2)C1 ZINC001052691217 1244762126 /nfs/dbraw/zinc/76/21/26/1244762126.db2.gz SOQFOOCDNAIFGT-HNNXBMFYSA-N 1 2 349.454 2.075 20 30 EEEDLO C=CCOc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CCCC)cc1 ZINC001050988188 1244791556 /nfs/dbraw/zinc/79/15/56/1244791556.db2.gz BMHUEBVHDHNTOE-KRWDZBQOSA-N 1 2 332.444 2.482 20 30 EEEDLO C=CCOc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CCCC)cc1 ZINC001050988188 1244791558 /nfs/dbraw/zinc/79/15/58/1244791558.db2.gz BMHUEBVHDHNTOE-KRWDZBQOSA-N 1 2 332.444 2.482 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cn(C)nc1C1CCC1 ZINC001050990846 1244795547 /nfs/dbraw/zinc/79/55/47/1244795547.db2.gz PAWCYFYEHCRIQN-MRXNPFEDSA-N 1 2 346.475 2.084 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(C)nc1C1CCC1 ZINC001050990846 1244795553 /nfs/dbraw/zinc/79/55/53/1244795553.db2.gz PAWCYFYEHCRIQN-MRXNPFEDSA-N 1 2 346.475 2.084 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050992751 1244801331 /nfs/dbraw/zinc/80/13/31/1244801331.db2.gz JVQGCISUBMDRHG-GJZGRUSLSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050992751 1244801348 /nfs/dbraw/zinc/80/13/48/1244801348.db2.gz JVQGCISUBMDRHG-GJZGRUSLSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001051095884 1244973990 /nfs/dbraw/zinc/97/39/90/1244973990.db2.gz OJWXHHWAUHTLET-HNNXBMFYSA-N 1 2 343.427 2.183 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001051095884 1244973999 /nfs/dbraw/zinc/97/39/99/1244973999.db2.gz OJWXHHWAUHTLET-HNNXBMFYSA-N 1 2 343.427 2.183 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001051172184 1245085241 /nfs/dbraw/zinc/08/52/41/1245085241.db2.gz FTSSVEXWHOIVMU-KRWDZBQOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001051172184 1245085249 /nfs/dbraw/zinc/08/52/49/1245085249.db2.gz FTSSVEXWHOIVMU-KRWDZBQOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1csc(-c2ccoc2)n1 ZINC001051172822 1245085406 /nfs/dbraw/zinc/08/54/06/1245085406.db2.gz MINZXVSAMUFLRL-CQSZACIVSA-N 1 2 347.440 2.410 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1csc(-c2ccoc2)n1 ZINC001051172822 1245085415 /nfs/dbraw/zinc/08/54/15/1245085415.db2.gz MINZXVSAMUFLRL-CQSZACIVSA-N 1 2 347.440 2.410 20 30 EEEDLO C=CCC1(C(=O)NCCN(CCC)c2cc[nH+]c(C)n2)CCOCC1 ZINC001101167219 1245474953 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XBERKVRPULJPBC-WHMCKXKTSA-N 1 2 345.270 2.124 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001101338161 1245681944 /nfs/dbraw/zinc/68/19/44/1245681944.db2.gz ZHHYRYOVPHDWCC-CPUCHLNUSA-N 1 2 334.489 2.421 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001101338161 1245681951 /nfs/dbraw/zinc/68/19/51/1245681951.db2.gz ZHHYRYOVPHDWCC-CPUCHLNUSA-N 1 2 334.489 2.421 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001053072656 1245823940 /nfs/dbraw/zinc/82/39/40/1245823940.db2.gz DXEZXAIISUPZCA-JKSUJKDBSA-N 1 2 346.475 2.086 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](CNC(=O)CCCC(C)=O)[C@H](C)C1 ZINC001101721354 1246162944 /nfs/dbraw/zinc/16/29/44/1246162944.db2.gz WLWWGYANUPWMGR-BXUZGUMPSA-N 1 2 345.281 2.338 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](CNC(=O)CCCC(C)=O)[C@H](C)C1 ZINC001101721354 1246162949 /nfs/dbraw/zinc/16/29/49/1246162949.db2.gz WLWWGYANUPWMGR-BXUZGUMPSA-N 1 2 345.281 2.338 20 30 EEEDLO 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C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc3c[nH]nc31)O2 ZINC001053641874 1246576754 /nfs/dbraw/zinc/57/67/54/1246576754.db2.gz SUMXLWOTZNXZAW-OAHLLOKOSA-N 1 2 340.427 2.102 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc(C)nc1C(C)C)O2 ZINC001053669685 1246617601 /nfs/dbraw/zinc/61/76/01/1246617601.db2.gz FJPRUDUIJHXTFV-HNNXBMFYSA-N 1 2 344.459 2.058 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3ccccn3c1)O2 ZINC001053673894 1246626079 /nfs/dbraw/zinc/62/60/79/1246626079.db2.gz XPPSMUAJUDQEPA-SFHVURJKSA-N 1 2 339.439 2.479 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ncsc1C(C)C)O2 ZINC001053686252 1246648201 /nfs/dbraw/zinc/64/82/01/1246648201.db2.gz LCLCKAOXYUXPGW-CYBMUJFWSA-N 1 2 335.473 2.416 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1sccc1COC)O2 ZINC001053686206 1246648226 /nfs/dbraw/zinc/64/82/26/1246648226.db2.gz JUHMNLFDDXOULG-AWEZNQCLSA-N 1 2 336.457 2.044 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(Cl)cn1)O2 ZINC001053693226 1246662804 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C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)c1cccc(Cl)c1)CO2 ZINC001054015107 1247150719 /nfs/dbraw/zinc/15/07/19/1247150719.db2.gz YSJUSJOCPIOWAP-WMLDXEAASA-N 1 2 346.858 2.426 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc3oc(C)nc31)CO2 ZINC001054018632 1247157301 /nfs/dbraw/zinc/15/73/01/1247157301.db2.gz HCJBMUPMUAPNQY-AWEZNQCLSA-N 1 2 341.411 2.285 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(CC)ccn1 ZINC001054041873 1247204039 /nfs/dbraw/zinc/20/40/39/1247204039.db2.gz WDYGXJPDZYCAKZ-LJQANCHMSA-N 1 2 333.435 2.434 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(CC)ccn1 ZINC001054041873 1247204048 /nfs/dbraw/zinc/20/40/48/1247204048.db2.gz WDYGXJPDZYCAKZ-LJQANCHMSA-N 1 2 333.435 2.434 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(C)nc1OC ZINC001054055482 1247249745 /nfs/dbraw/zinc/24/97/45/1247249745.db2.gz LYKZONJOYKMHAX-SFHVURJKSA-N 1 2 349.434 2.189 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(C)nc1OC ZINC001054055482 1247249755 /nfs/dbraw/zinc/24/97/55/1247249755.db2.gz LYKZONJOYKMHAX-SFHVURJKSA-N 1 2 349.434 2.189 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001054054624 1247250700 /nfs/dbraw/zinc/25/07/00/1247250700.db2.gz VHBYUQUQMVWWJU-PCCBWWKXSA-N 1 2 345.446 2.361 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001054054624 1247250710 /nfs/dbraw/zinc/25/07/10/1247250710.db2.gz VHBYUQUQMVWWJU-PCCBWWKXSA-N 1 2 345.446 2.361 20 30 EEEDLO CC(C)c1noc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)[C@H](C)C#N)C3)n1 ZINC001054102358 1247408984 /nfs/dbraw/zinc/40/89/84/1247408984.db2.gz MPHSQTHQUXOYIP-KDOFPFPSSA-N 1 2 345.447 2.167 20 30 EEEDLO CC(C)c1noc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)[C@H](C)C#N)C3)n1 ZINC001054102358 1247408986 /nfs/dbraw/zinc/40/89/86/1247408986.db2.gz MPHSQTHQUXOYIP-KDOFPFPSSA-N 1 2 345.447 2.167 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3nncn3C)C2)C1 ZINC001054175915 1247614231 /nfs/dbraw/zinc/61/42/31/1247614231.db2.gz 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20 30 EEEDLO N#Cc1cc[nH]c1CN1Cc2c[nH+]cn2C[C@H](COc2ccccn2)C1 ZINC001233044430 1304341278 /nfs/dbraw/zinc/34/12/78/1304341278.db2.gz OJMDGIQHDMKZRY-OAHLLOKOSA-N 1 2 348.410 2.189 20 30 EEEDLO Cc1cc(N[C@H]2CN(C(=O)CSCC#N)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC001112297449 1304436973 /nfs/dbraw/zinc/43/69/73/1304436973.db2.gz AUIIZXLQLMHOBY-FZMZJTMJSA-N 1 2 345.472 2.178 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C=C(CC)CC ZINC001233654230 1304547671 /nfs/dbraw/zinc/54/76/71/1304547671.db2.gz PLDKMSBIBWZWJT-SFHVURJKSA-N 1 2 347.503 2.466 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C=C(CC)CC ZINC001233654230 1304547678 /nfs/dbraw/zinc/54/76/78/1304547678.db2.gz PLDKMSBIBWZWJT-SFHVURJKSA-N 1 2 347.503 2.466 20 30 EEEDLO COc1c(Br)cccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001233692951 1304560525 /nfs/dbraw/zinc/56/05/25/1304560525.db2.gz VQAYJUAIPBRMLH-DSRGUXITSA-N 1 2 340.217 2.449 20 30 EEEDLO COc1c(Br)cccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001233692951 1304560527 /nfs/dbraw/zinc/56/05/27/1304560527.db2.gz VQAYJUAIPBRMLH-DSRGUXITSA-N 1 2 340.217 2.449 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N1CCCCCC1 ZINC001233760305 1304581177 /nfs/dbraw/zinc/58/11/77/1304581177.db2.gz AVSMWIKLCGRVJE-GOSISDBHSA-N 1 2 347.503 2.115 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N1CCCCCC1 ZINC001233760305 1304581179 /nfs/dbraw/zinc/58/11/79/1304581179.db2.gz AVSMWIKLCGRVJE-GOSISDBHSA-N 1 2 347.503 2.115 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1oc(C(C)C)nc1C ZINC001233976978 1304665446 /nfs/dbraw/zinc/66/54/46/1304665446.db2.gz JYTUERSBBPUSLS-HNAYVOBHSA-N 1 2 349.475 2.466 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1oc(C(C)C)nc1C ZINC001233976978 1304665452 /nfs/dbraw/zinc/66/54/52/1304665452.db2.gz JYTUERSBBPUSLS-HNAYVOBHSA-N 1 2 349.475 2.466 20 30 EEEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC1CCCCC1 ZINC001234132351 1304756644 /nfs/dbraw/zinc/75/66/44/1304756644.db2.gz WDTGVAUITMSKGG-FUHWJXTLSA-N 1 2 347.503 2.016 20 30 EEEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC1CCCCC1 ZINC001234132351 1304756646 /nfs/dbraw/zinc/75/66/46/1304756646.db2.gz WDTGVAUITMSKGG-FUHWJXTLSA-N 1 2 347.503 2.016 20 30 EEEDLO Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234162158 1304776647 /nfs/dbraw/zinc/77/66/47/1304776647.db2.gz PNQGHALIWDOOBB-SFHVURJKSA-N 1 2 330.476 2.465 20 30 EEEDLO Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234162158 1304776655 /nfs/dbraw/zinc/77/66/55/1304776655.db2.gz PNQGHALIWDOOBB-SFHVURJKSA-N 1 2 330.476 2.465 20 30 EEEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cccc2c1OCCO2 ZINC001234169378 1304779210 /nfs/dbraw/zinc/77/92/10/1304779210.db2.gz DYLOGPPUFWSGBV-KRWDZBQOSA-N 1 2 342.439 2.150 20 30 EEEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cccc2c1OCCO2 ZINC001234169378 1304779217 /nfs/dbraw/zinc/77/92/17/1304779217.db2.gz DYLOGPPUFWSGBV-KRWDZBQOSA-N 1 2 342.439 2.150 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC1CCCC1 ZINC001234626955 1304992030 /nfs/dbraw/zinc/99/20/30/1304992030.db2.gz YAHZPGVYUSARGN-RDJZCZTQSA-N 1 2 335.492 2.323 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC1CCCC1 ZINC001234626955 1304992034 /nfs/dbraw/zinc/99/20/34/1304992034.db2.gz YAHZPGVYUSARGN-RDJZCZTQSA-N 1 2 335.492 2.323 20 30 EEEDLO C=CCC1(C(=O)NCCOCCCNc2cc[nH+]c(C)n2)CCC1 ZINC001115442236 1305122657 /nfs/dbraw/zinc/12/26/57/1305122657.db2.gz LOJYHZUVPPKPPF-UHFFFAOYSA-N 1 2 332.448 2.466 20 30 EEEDLO N#CCC[N@H+]1CCC[C@]2(CCN(C(=O)NC(=O)c3ccccc3)C2)C1 ZINC001277941354 1305211093 /nfs/dbraw/zinc/21/10/93/1305211093.db2.gz NARJYNUIBAGSBR-IBGZPJMESA-N 1 2 340.427 2.238 20 30 EEEDLO N#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)NC(=O)c3ccccc3)C2)C1 ZINC001277941354 1305211101 /nfs/dbraw/zinc/21/11/01/1305211101.db2.gz NARJYNUIBAGSBR-IBGZPJMESA-N 1 2 340.427 2.238 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C2CC2)CC1 ZINC001235684853 1305328754 /nfs/dbraw/zinc/32/87/54/1305328754.db2.gz LSOVBCLKMWJLFO-KRWDZBQOSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C1(C2CC2)CC1 ZINC001235684853 1305328769 /nfs/dbraw/zinc/32/87/69/1305328769.db2.gz LSOVBCLKMWJLFO-KRWDZBQOSA-N 1 2 347.503 2.134 20 30 EEEDLO COC(=O)[C@]1([NH3+])CCN(Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001236279168 1305549424 /nfs/dbraw/zinc/54/94/24/1305549424.db2.gz QOVQWXZVUDIWGR-IBGZPJMESA-N 1 2 340.448 2.224 20 30 EEEDLO C#CC[NH+]1CCN(Cc2c(Br)ccnc2Cl)CC1 ZINC001236588402 1305601718 /nfs/dbraw/zinc/60/17/18/1305601718.db2.gz GHEYCKJYJUOQOK-UHFFFAOYSA-N 1 2 328.641 2.248 20 30 EEEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)cc(OC)n1 ZINC001237564452 1305983215 /nfs/dbraw/zinc/98/32/15/1305983215.db2.gz KESNURSHWILTRI-UHFFFAOYSA-N 1 2 338.411 2.293 20 30 EEEDLO N#Cc1ccc2nc(C[N@@H+]3CCC[C@@H](Oc4cnccn4)C3)cn2c1 ZINC001237610084 1306000366 /nfs/dbraw/zinc/00/03/66/1306000366.db2.gz HOKXPOUQRPKJNV-MRXNPFEDSA-N 1 2 334.383 2.039 20 30 EEEDLO N#Cc1ccc2nc(C[N@H+]3CCC[C@@H](Oc4cnccn4)C3)cn2c1 ZINC001237610084 1306000377 /nfs/dbraw/zinc/00/03/77/1306000377.db2.gz HOKXPOUQRPKJNV-MRXNPFEDSA-N 1 2 334.383 2.039 20 30 EEEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)Cc2cnn(C)c21 ZINC001238406411 1306370041 /nfs/dbraw/zinc/37/00/41/1306370041.db2.gz OGODJPOGWXQDTJ-KRWDZBQOSA-N 1 2 340.427 2.436 20 30 EEEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)Cc2cnn(C)c21 ZINC001238406411 1306370052 /nfs/dbraw/zinc/37/00/52/1306370052.db2.gz OGODJPOGWXQDTJ-KRWDZBQOSA-N 1 2 340.427 2.436 20 30 EEEDLO Cc1cnc(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c(C)c1 ZINC001278306421 1309227266 /nfs/dbraw/zinc/22/72/66/1309227266.db2.gz GRGNLUSHNMMKAI-UHFFFAOYSA-N 1 2 335.455 2.226 20 30 EEEDLO COc1cc(C#N)nc(-c2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001240448117 1309328059 /nfs/dbraw/zinc/32/80/59/1309328059.db2.gz FXPWVFQXSHXTDU-UHFFFAOYSA-N 1 2 339.395 2.340 20 30 EEEDLO C[C@@H]1C[N@H+](CCNc2nc(Br)ccc2C#N)[C@@H](C)CO1 ZINC001120863119 1309795850 /nfs/dbraw/zinc/79/58/50/1309795850.db2.gz XBOZWMGMRSFBKS-WDEREUQCSA-N 1 2 339.237 2.237 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNc2nc(Br)ccc2C#N)[C@@H](C)CO1 ZINC001120863119 1309795858 /nfs/dbraw/zinc/79/58/58/1309795858.db2.gz XBOZWMGMRSFBKS-WDEREUQCSA-N 1 2 339.237 2.237 20 30 EEEDLO N#Cc1ccc(C[NH2+]CCCNC(=O)C(F)C(F)(F)F)cc1F ZINC001158471397 1319255929 /nfs/dbraw/zinc/25/59/29/1319255929.db2.gz JUQFZLDNYQIRHU-LBPRGKRZSA-N 1 2 335.276 2.194 20 30 EEEDLO N#Cc1ccc(C[NH2+]CCCNC(=O)[C@H](F)C(F)(F)F)cc1F ZINC001158471397 1319255936 /nfs/dbraw/zinc/25/59/36/1319255936.db2.gz JUQFZLDNYQIRHU-LBPRGKRZSA-N 1 2 335.276 2.194 20 30 EEEDLO C#CCCN(CCOC)c1nnc([C@H]2CCCC[N@@H+]2C)n1CC=C ZINC001121612835 1310069450 /nfs/dbraw/zinc/06/94/50/1310069450.db2.gz PZFYMFUOHXOORV-MRXNPFEDSA-N 1 2 331.464 2.097 20 30 EEEDLO C#CCCN(CCOC)c1nnc([C@H]2CCCC[N@H+]2C)n1CC=C ZINC001121612835 1310069460 /nfs/dbraw/zinc/06/94/60/1310069460.db2.gz PZFYMFUOHXOORV-MRXNPFEDSA-N 1 2 331.464 2.097 20 30 EEEDLO C=CCC1(C(=O)NC[C@H](CO)Nc2cc[nH+]c(C)n2)CCCCC1 ZINC001121633964 1310079806 /nfs/dbraw/zinc/07/98/06/1310079806.db2.gz MXCFRHJFZVLTBU-OAHLLOKOSA-N 1 2 332.448 2.201 20 30 EEEDLO CC[C@]1(C(=O)OC)C[C@H](N2CCC(C#Cc3ccccc3)CC2)C[NH2+]1 ZINC001246919519 1310468028 /nfs/dbraw/zinc/46/80/28/1310468028.db2.gz BFSVZZZEWQAETB-PZJWPPBQSA-N 1 2 340.467 2.434 20 30 EEEDLO C=CCOc1ccc(-c2noc([C@@H]([NH3+])Cn3cccn3)n2)c(F)c1 ZINC001247229868 1310550774 /nfs/dbraw/zinc/55/07/74/1310550774.db2.gz MDEMCJNQKNKADT-AWEZNQCLSA-N 1 2 329.335 2.337 20 30 EEEDLO C=CCCCC(=O)N(C)C[C@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001124693418 1310936319 /nfs/dbraw/zinc/93/63/19/1310936319.db2.gz DTMXJIUQIZXVMU-OAHLLOKOSA-N 1 2 332.448 2.250 20 30 EEEDLO C=CCS(=O)(=O)NCc1c[nH+]cn1Cc1ccccc1Cl ZINC001259936190 1319746782 /nfs/dbraw/zinc/74/67/82/1319746782.db2.gz JXCXUWQWNCTHCB-UHFFFAOYSA-N 1 2 325.821 2.190 20 30 EEEDLO C#CC[NH+](CC#C)Cc1cc(Br)ccc1N1CCOCC1 ZINC001138672177 1314642105 /nfs/dbraw/zinc/64/21/05/1314642105.db2.gz ZXBJWVMFLVPBFZ-UHFFFAOYSA-N 1 2 347.256 2.354 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C)n2cccc2)C1 ZINC001149588519 1315994679 /nfs/dbraw/zinc/99/46/79/1315994679.db2.gz MENQZZPPSWXMSO-HUUCEWRRSA-N 1 2 325.840 2.009 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C)n2cccc2)C1 ZINC001149588519 1315994683 /nfs/dbraw/zinc/99/46/83/1315994683.db2.gz MENQZZPPSWXMSO-HUUCEWRRSA-N 1 2 325.840 2.009 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1C[N@H+](Cc2nocc2C)CCCO1 ZINC001150165493 1316186100 /nfs/dbraw/zinc/18/61/00/1316186100.db2.gz LWJUTWPTVBJQAB-HOTGVXAUSA-N 1 2 335.448 2.292 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1C[N@@H+](Cc2nocc2C)CCCO1 ZINC001150165493 1316186102 /nfs/dbraw/zinc/18/61/02/1316186102.db2.gz LWJUTWPTVBJQAB-HOTGVXAUSA-N 1 2 335.448 2.292 20 30 EEEDLO CC#CCCCC(=O)NC[C@H]1C[N@H+](Cc2ncc(C)s2)CCCO1 ZINC001150165138 1316186888 /nfs/dbraw/zinc/18/68/88/1316186888.db2.gz ICOXZVQCJRRHTO-INIZCTEOSA-N 1 2 349.500 2.352 20 30 EEEDLO CC#CCCCC(=O)NC[C@H]1C[N@@H+](Cc2ncc(C)s2)CCCO1 ZINC001150165138 1316186891 /nfs/dbraw/zinc/18/68/91/1316186891.db2.gz ICOXZVQCJRRHTO-INIZCTEOSA-N 1 2 349.500 2.352 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[N@H+](Cc2ccn(CC)n2)CCCO1 ZINC001150246236 1316214288 /nfs/dbraw/zinc/21/42/88/1316214288.db2.gz CVBMANHSMSWCDE-HKUYNNGSSA-N 1 2 348.491 2.212 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[N@@H+](Cc2ccn(CC)n2)CCCO1 ZINC001150246236 1316214294 /nfs/dbraw/zinc/21/42/94/1316214294.db2.gz CVBMANHSMSWCDE-HKUYNNGSSA-N 1 2 348.491 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](CC(C)C)OC)C1 ZINC001150306479 1316231678 /nfs/dbraw/zinc/23/16/78/1316231678.db2.gz GCOHBZUFOAAPRZ-GJZGRUSLSA-N 1 2 332.872 2.007 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](CC(C)C)OC)C1 ZINC001150306479 1316231686 /nfs/dbraw/zinc/23/16/86/1316231686.db2.gz GCOHBZUFOAAPRZ-GJZGRUSLSA-N 1 2 332.872 2.007 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CCCO1 ZINC001152038179 1316624637 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/nfs/dbraw/zinc/44/45/57/769444557.db2.gz WKVSKMASHQDZQR-UHFFFAOYSA-N 1 2 325.434 2.194 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cc(Cl)c[nH]2)C1 ZINC001031545248 769530283 /nfs/dbraw/zinc/53/02/83/769530283.db2.gz FKCDKUAOIBAQCQ-UHFFFAOYSA-N 1 2 328.803 2.402 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H](C)C[C@H](C)Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001089473175 769617332 /nfs/dbraw/zinc/61/73/32/769617332.db2.gz GENMPQVYBJOFKT-OLZOCXBDSA-N 1 2 346.479 2.298 20 30 EEEDLO C#CCCCCCC(=O)N1CC(n2cc(C[NH2+]C[C@@H](F)CC)nn2)C1 ZINC001105301473 769638342 /nfs/dbraw/zinc/63/83/42/769638342.db2.gz PZHMYOZHAHXAOV-HNNXBMFYSA-N 1 2 349.454 2.083 20 30 EEEDLO CC(C)[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)Nc1ccc(C#N)nn1 ZINC001105308892 769673638 /nfs/dbraw/zinc/67/36/38/769673638.db2.gz CDSNSEJPBYPLFG-INIZCTEOSA-N 1 2 349.398 2.091 20 30 EEEDLO C=CCC1(C(=O)N2CC(n3cc(C[NH2+]C/C=C\Cl)nn3)C2)CCC1 ZINC001105322343 769710416 /nfs/dbraw/zinc/71/04/16/769710416.db2.gz LDQGJJRJHMNSFR-YWEYNIOJSA-N 1 2 349.866 2.250 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001111482584 769736585 /nfs/dbraw/zinc/73/65/85/769736585.db2.gz PUVZOQWQHWRJFW-ZACQAIPSSA-N 1 2 333.407 2.035 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001111482584 769736593 /nfs/dbraw/zinc/73/65/93/769736593.db2.gz PUVZOQWQHWRJFW-ZACQAIPSSA-N 1 2 333.407 2.035 20 30 EEEDLO C#CCCCCC(=O)NCC[NH2+]Cc1nc(Cc2ccccc2)no1 ZINC001125951908 769753654 /nfs/dbraw/zinc/75/36/54/769753654.db2.gz ZYKIJXQXARZDQY-UHFFFAOYSA-N 1 2 340.427 2.060 20 30 EEEDLO Cc1ocnc1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001031571706 769772834 /nfs/dbraw/zinc/77/28/34/769772834.db2.gz VEZADFBLQMJTDP-UHFFFAOYSA-N 1 2 343.814 2.350 20 30 EEEDLO Cc1[nH]ccc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031605442 770138840 /nfs/dbraw/zinc/13/88/40/770138840.db2.gz DTSWPWFUEICPJV-UHFFFAOYSA-N 1 2 326.375 2.196 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CCCO1 ZINC001089532964 770158952 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Cc1ccnc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2C#N)n1 ZINC001027849868 773509723 /nfs/dbraw/zinc/50/97/23/773509723.db2.gz FYJVGJBBXQFJGN-QGZVFWFLSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1ccnc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2C#N)n1 ZINC001027849868 773509725 /nfs/dbraw/zinc/50/97/25/773509725.db2.gz FYJVGJBBXQFJGN-QGZVFWFLSA-N 1 2 335.411 2.051 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@@H]3CCC3(F)F)C2)c1 ZINC001031761002 775090071 /nfs/dbraw/zinc/09/00/71/775090071.db2.gz VZYOLTUXFIJKOZ-AWEZNQCLSA-N 1 2 337.345 2.291 20 30 EEEDLO Cc1noc(C)c1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000980689202 775194965 /nfs/dbraw/zinc/19/49/65/775194965.db2.gz ZWPKHOLZOPDPOX-UHFFFAOYSA-N 1 2 337.423 2.491 20 30 EEEDLO Cc1noc(C)c1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000980689202 775194975 /nfs/dbraw/zinc/19/49/75/775194975.db2.gz ZWPKHOLZOPDPOX-UHFFFAOYSA-N 1 2 337.423 2.491 20 30 EEEDLO CO[C@H]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001031790628 775708674 /nfs/dbraw/zinc/70/86/74/775708674.db2.gz CWCREBDPKVKMBI-WBVHZDCISA-N 1 2 345.418 2.060 20 30 EEEDLO CCc1cnccc1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031797339 775835764 /nfs/dbraw/zinc/83/57/64/775835764.db2.gz PBLUAOGXWDHHIZ-UHFFFAOYSA-N 1 2 333.435 2.357 20 30 EEEDLO CO[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1)C1CC1 ZINC000981076634 776485569 /nfs/dbraw/zinc/48/55/69/776485569.db2.gz YLMTUDKQWIVSNR-SFHVURJKSA-N 1 2 345.418 2.157 20 30 EEEDLO CO[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1)C1CC1 ZINC000981076634 776485575 /nfs/dbraw/zinc/48/55/75/776485575.db2.gz YLMTUDKQWIVSNR-SFHVURJKSA-N 1 2 345.418 2.157 20 30 EEEDLO C=C(C)CCC(=O)NCC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001063260325 790461259 /nfs/dbraw/zinc/46/12/59/790461259.db2.gz WXMZWPFXPAUTAW-OAHLLOKOSA-N 1 2 332.448 2.346 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H](N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC000939475364 776619765 /nfs/dbraw/zinc/61/97/65/776619765.db2.gz QYXLNOUZOLTVOK-MRXNPFEDSA-N 1 2 344.459 2.066 20 30 EEEDLO C=C(C)CCC(=O)NCC1(NC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001063261314 790493450 /nfs/dbraw/zinc/49/34/50/790493450.db2.gz KPIZDAVNDQROAM-UHFFFAOYSA-N 1 2 332.448 2.175 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)c2nnc(C)o2)cc1 ZINC001028066541 776961746 /nfs/dbraw/zinc/96/17/46/776961746.db2.gz CYERXYSQNILDBD-DYVFJYSZSA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)c2nnc(C)o2)cc1 ZINC001028066541 776961752 /nfs/dbraw/zinc/96/17/52/776961752.db2.gz CYERXYSQNILDBD-DYVFJYSZSA-N 1 2 338.411 2.315 20 30 EEEDLO O=C(c1cnn2c1CCC2)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981286672 777080990 /nfs/dbraw/zinc/08/09/90/777080990.db2.gz PDNDWHAZVDGJRE-UHFFFAOYSA-N 1 2 348.450 2.029 20 30 EEEDLO O=C(c1cnn2c1CCC2)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981286672 777081000 /nfs/dbraw/zinc/08/10/00/777081000.db2.gz PDNDWHAZVDGJRE-UHFFFAOYSA-N 1 2 348.450 2.029 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000181585153 777140532 /nfs/dbraw/zinc/14/05/32/777140532.db2.gz WNVSLXKEEUYZEG-UHFFFAOYSA-N 1 2 331.328 2.319 20 30 EEEDLO C=CCC[N@H+]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000981737515 778116132 /nfs/dbraw/zinc/11/61/32/778116132.db2.gz DEKNZYUXAURNMO-UHFFFAOYSA-N 1 2 325.416 2.196 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2Cc2nc(C)cs2)c1 ZINC001028126060 778248159 /nfs/dbraw/zinc/24/81/59/778248159.db2.gz DCMSBTODQWVCQP-MRXNPFEDSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2nc(C)cs2)c1 ZINC001028126060 778248162 /nfs/dbraw/zinc/24/81/62/778248162.db2.gz DCMSBTODQWVCQP-MRXNPFEDSA-N 1 2 340.452 2.222 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3(CF)CC3)CC2)cc1F ZINC000981929359 778552037 /nfs/dbraw/zinc/55/20/37/778552037.db2.gz SZOFPRIULPSZGQ-UHFFFAOYSA-N 1 2 333.382 2.481 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3(CF)CC3)CC2)cc1F ZINC000981929359 778552042 /nfs/dbraw/zinc/55/20/42/778552042.db2.gz SZOFPRIULPSZGQ-UHFFFAOYSA-N 1 2 333.382 2.481 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001028173227 778682642 /nfs/dbraw/zinc/68/26/42/778682642.db2.gz NOZOUKXNWPAZGC-GFCCVEGCSA-N 1 2 334.807 2.215 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001028173227 778682645 /nfs/dbraw/zinc/68/26/45/778682645.db2.gz NOZOUKXNWPAZGC-GFCCVEGCSA-N 1 2 334.807 2.215 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1coc(C)n1 ZINC001028195466 778834139 /nfs/dbraw/zinc/83/41/39/778834139.db2.gz OCJALSBWTHZXAW-ULQDDVLXSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1coc(C)n1 ZINC001028195466 778834150 /nfs/dbraw/zinc/83/41/50/778834150.db2.gz OCJALSBWTHZXAW-ULQDDVLXSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H](CCNC(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001060368186 790692764 /nfs/dbraw/zinc/69/27/64/790692764.db2.gz NBMFQXJLNGJQIS-OAHLLOKOSA-N 1 2 344.459 2.053 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1C(=O)N(C)C ZINC001028267262 779814997 /nfs/dbraw/zinc/81/49/97/779814997.db2.gz GQIGSMDNCQCBRD-CQSZACIVSA-N 1 2 349.862 2.335 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1C(=O)N(C)C ZINC001028267262 779815006 /nfs/dbraw/zinc/81/50/06/779815006.db2.gz GQIGSMDNCQCBRD-CQSZACIVSA-N 1 2 349.862 2.335 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2nc(C)cs2)nc1 ZINC001028269478 779833491 /nfs/dbraw/zinc/83/34/91/779833491.db2.gz NILQKLQEFVJRDW-HNNXBMFYSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2nc(C)cs2)nc1 ZINC001028269478 779833499 /nfs/dbraw/zinc/83/34/99/779833499.db2.gz NILQKLQEFVJRDW-HNNXBMFYSA-N 1 2 340.452 2.222 20 30 EEEDLO CCN(CCNc1ncccc1C#N)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001106947628 779865990 /nfs/dbraw/zinc/86/59/90/779865990.db2.gz WLVSJGMUJKWVJY-AWEZNQCLSA-N 1 2 338.415 2.057 20 30 EEEDLO Cc1nsc(N[C@H](C)CNC(=O)c2cccc3[nH+]ccn32)c1C#N ZINC001098153213 780247533 /nfs/dbraw/zinc/24/75/33/780247533.db2.gz MPTIQMAAXVOPIN-SNVBAGLBSA-N 1 2 340.412 2.201 20 30 EEEDLO Cc1ncccc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031939490 780290710 /nfs/dbraw/zinc/29/07/10/780290710.db2.gz AXNVHANGXJVJFA-UHFFFAOYSA-N 1 2 338.386 2.263 20 30 EEEDLO CCOC(=O)Cn1cc(C[N@H+](CC)CCC#N)c(-c2cccnc2)n1 ZINC000893922246 780309089 /nfs/dbraw/zinc/30/90/89/780309089.db2.gz BQCXIKALZJUNEI-UHFFFAOYSA-N 1 2 341.415 2.244 20 30 EEEDLO CCOC(=O)Cn1cc(C[N@@H+](CC)CCC#N)c(-c2cccnc2)n1 ZINC000893922246 780309096 /nfs/dbraw/zinc/30/90/96/780309096.db2.gz BQCXIKALZJUNEI-UHFFFAOYSA-N 1 2 341.415 2.244 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(C)no2)C1 ZINC001087462080 780947832 /nfs/dbraw/zinc/94/78/32/780947832.db2.gz QXPUTBSSXMAPAD-IAGOWNOFSA-N 1 2 341.386 2.343 20 30 EEEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2cc(C)no2)C1 ZINC001087462080 780947839 /nfs/dbraw/zinc/94/78/39/780947839.db2.gz QXPUTBSSXMAPAD-IAGOWNOFSA-N 1 2 341.386 2.343 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[C@H]3C[N@@H+](CC=C(Cl)Cl)C[C@H]32)c[nH]1 ZINC001075710140 781178526 /nfs/dbraw/zinc/17/85/26/781178526.db2.gz XQWXOCSWMUQAPO-GXFFZTMASA-N 1 2 339.226 2.352 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[C@H]3C[N@H+](CC=C(Cl)Cl)C[C@H]32)c[nH]1 ZINC001075710140 781178528 /nfs/dbraw/zinc/17/85/28/781178528.db2.gz XQWXOCSWMUQAPO-GXFFZTMASA-N 1 2 339.226 2.352 20 30 EEEDLO CC(C)c1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)[nH]n1 ZINC001031992869 781683847 /nfs/dbraw/zinc/68/38/47/781683847.db2.gz PWDPGNGIFLDDPG-UHFFFAOYSA-N 1 2 343.456 2.328 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)OCc2ccc(C)cc2)C1 ZINC001108102024 783345756 /nfs/dbraw/zinc/34/57/56/783345756.db2.gz YATPZRSUAWCBMF-XLIONFOSSA-N 1 2 346.471 2.293 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)OCc2ccc(C)cc2)C1 ZINC001108102024 783345766 /nfs/dbraw/zinc/34/57/66/783345766.db2.gz YATPZRSUAWCBMF-XLIONFOSSA-N 1 2 346.471 2.293 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C)nc2C2CC2)C1 ZINC001108101780 783358583 /nfs/dbraw/zinc/35/85/83/783358583.db2.gz RICYNVODZYJLJF-FQEVSTJZSA-N 1 2 341.455 2.111 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C)nc2C2CC2)C1 ZINC001108101780 783358591 /nfs/dbraw/zinc/35/85/91/783358591.db2.gz RICYNVODZYJLJF-FQEVSTJZSA-N 1 2 341.455 2.111 20 30 EEEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000942955620 783549748 /nfs/dbraw/zinc/54/97/48/783549748.db2.gz QCBARAWLIPMEIH-MRXNPFEDSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091499957 790988730 /nfs/dbraw/zinc/98/87/30/790988730.db2.gz ORLQXOYLHREEDL-IHRRRGAJSA-N 1 2 342.447 2.272 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129147491 784295026 /nfs/dbraw/zinc/29/50/26/784295026.db2.gz BSRQNCFFAFLFSL-KURKYZTESA-N 1 2 345.491 2.249 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129147491 784295035 /nfs/dbraw/zinc/29/50/35/784295035.db2.gz BSRQNCFFAFLFSL-KURKYZTESA-N 1 2 345.491 2.249 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)cc3ccncc32)C1 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C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c(F)cccc2Cl)[C@@H](O)C1 ZINC001090751558 788068110 /nfs/dbraw/zinc/06/81/10/788068110.db2.gz GDKUJCWUXRZKDR-OLZOCXBDSA-N 1 2 347.217 2.397 20 30 EEEDLO C/C=C(/C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(OC)c(C#N)c1 ZINC001032345405 788080358 /nfs/dbraw/zinc/08/03/58/788080358.db2.gz YZMZIDJRXZVSRW-SZDRWNFSSA-N 1 2 325.412 2.318 20 30 EEEDLO C/C=C(/C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(OC)c(C#N)c1 ZINC001032345405 788080363 /nfs/dbraw/zinc/08/03/63/788080363.db2.gz YZMZIDJRXZVSRW-SZDRWNFSSA-N 1 2 325.412 2.318 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc3oc(C)nc32)[C@@H](O)C1 ZINC001090836781 788501319 /nfs/dbraw/zinc/50/13/19/788501319.db2.gz PYIFQGHSZZWUOZ-KGLIPLIRSA-N 1 2 349.818 2.054 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3oc(C)nc32)[C@@H](O)C1 ZINC001090836781 788501326 /nfs/dbraw/zinc/50/13/26/788501326.db2.gz PYIFQGHSZZWUOZ-KGLIPLIRSA-N 1 2 349.818 2.054 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2coc3ccccc23)[C@H](O)C1 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C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C34CCC(CC3)C4)C[C@@H]21 ZINC001177035602 798681960 /nfs/dbraw/zinc/68/19/60/798681960.db2.gz LWLHMBCWWFMOJK-AGYKMIKPSA-N 1 2 348.487 2.071 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)C34CCC(CC3)C4)C[C@@H]21 ZINC001177035602 798681963 /nfs/dbraw/zinc/68/19/63/798681963.db2.gz LWLHMBCWWFMOJK-AGYKMIKPSA-N 1 2 348.487 2.071 20 30 EEEDLO C#CCCCC(=O)N1CC[C@@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001177005703 798690981 /nfs/dbraw/zinc/69/09/81/798690981.db2.gz JHULOXSJZQQGEE-OALUTQOASA-N 1 2 326.440 2.292 20 30 EEEDLO C#CCCCC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001177005703 798690984 /nfs/dbraw/zinc/69/09/84/798690984.db2.gz JHULOXSJZQQGEE-OALUTQOASA-N 1 2 326.440 2.292 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC(C)(C)CC(F)F)C[C@H]21 ZINC001177047875 798713785 /nfs/dbraw/zinc/71/37/85/798713785.db2.gz FXGGJKMEQFWYIN-CABCVRRESA-N 1 2 342.430 2.383 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC(C)(C)CC(F)F)C[C@H]21 ZINC001177047875 798713788 /nfs/dbraw/zinc/71/37/88/798713788.db2.gz FXGGJKMEQFWYIN-CABCVRRESA-N 1 2 342.430 2.383 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC(C)(C)C)C[C@@H]21 ZINC001177113400 798757521 /nfs/dbraw/zinc/75/75/21/798757521.db2.gz UEZSCOPSBCWMQP-IRXDYDNUSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC(C)(C)C)C[C@@H]21 ZINC001177113400 798757524 /nfs/dbraw/zinc/75/75/24/798757524.db2.gz UEZSCOPSBCWMQP-IRXDYDNUSA-N 1 2 338.492 2.317 20 30 EEEDLO C#CCCCCC(=O)NCc1cnn2c1C[N@H+](CC[C@@H](C)F)CC2 ZINC001128312262 798792453 /nfs/dbraw/zinc/79/24/53/798792453.db2.gz KHEVKCNNLZVGRY-OAHLLOKOSA-N 1 2 334.439 2.257 20 30 EEEDLO C#CCCCCC(=O)NCc1cnn2c1C[N@@H+](CC[C@@H](C)F)CC2 ZINC001128312262 798792459 /nfs/dbraw/zinc/79/24/59/798792459.db2.gz KHEVKCNNLZVGRY-OAHLLOKOSA-N 1 2 334.439 2.257 20 30 EEEDLO CN(c1cccc(F)c1C#N)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001061227916 799069969 /nfs/dbraw/zinc/06/99/69/799069969.db2.gz OWBKFSMRGAIFJJ-CYBMUJFWSA-N 1 2 341.390 2.090 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCC(C)C)C2)CC1 ZINC001065685986 799303133 /nfs/dbraw/zinc/30/31/33/799303133.db2.gz KFJMLFRXBCUJIA-KRWDZBQOSA-N 1 2 335.492 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C3(CCC)CC3)CC2)C1 ZINC001065693785 799372259 /nfs/dbraw/zinc/37/22/59/799372259.db2.gz HHCAADBFNVFKRZ-KRWDZBQOSA-N 1 2 347.503 2.278 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H](OC)C2)CC1 ZINC001003194145 799379204 /nfs/dbraw/zinc/37/92/04/799379204.db2.gz RKTFTDZMWRVBQV-TZMCWYRMSA-N 1 2 345.281 2.291 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC(C)=C(C)C)C2)CC1 ZINC001065709021 799402837 /nfs/dbraw/zinc/40/28/37/799402837.db2.gz OCFOHIOLEWHEBF-SFHVURJKSA-N 1 2 347.503 2.444 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C3(C)CC3)CC2)C1 ZINC001065712264 799410745 /nfs/dbraw/zinc/41/07/45/799410745.db2.gz WEBKCZHSYAHIFD-IAGOWNOFSA-N 1 2 347.503 2.134 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H]([NH2+]Cc2nc(C(C)C)no2)[C@@H]1C ZINC001178503452 799519794 /nfs/dbraw/zinc/51/97/94/799519794.db2.gz AKGPUVVEEVXGKY-GJZGRUSLSA-N 1 2 332.448 2.466 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(C)=O)C2 ZINC001110221393 799529035 /nfs/dbraw/zinc/52/90/35/799529035.db2.gz VBIWCXZLMLXYOT-OIISXLGYSA-N 1 2 347.484 2.004 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(C)=O)C2 ZINC001110221393 799529036 /nfs/dbraw/zinc/52/90/36/799529036.db2.gz VBIWCXZLMLXYOT-OIISXLGYSA-N 1 2 347.484 2.004 20 30 EEEDLO CCOC(=O)c1cc(C#N)c(NC(=O)[C@H]2CCCC[N@@H+]2C)c(C)c1O ZINC001178696269 799591917 /nfs/dbraw/zinc/59/19/17/799591917.db2.gz FHNCXCGKKKAKJC-CQSZACIVSA-N 1 2 345.399 2.172 20 30 EEEDLO CCOC(=O)c1cc(C#N)c(NC(=O)[C@H]2CCCC[N@H+]2C)c(C)c1O ZINC001178696269 799591919 /nfs/dbraw/zinc/59/19/19/799591919.db2.gz FHNCXCGKKKAKJC-CQSZACIVSA-N 1 2 345.399 2.172 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCc1cnn2c1C[N@H+](CCC[C@H](C)O)CC2 ZINC001128463815 799678661 /nfs/dbraw/zinc/67/86/61/799678661.db2.gz XBHPVJAKGXCWCM-CVEARBPZSA-N 1 2 348.491 2.078 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCc1cnn2c1C[N@@H+](CCC[C@H](C)O)CC2 ZINC001128463815 799678665 /nfs/dbraw/zinc/67/86/65/799678665.db2.gz XBHPVJAKGXCWCM-CVEARBPZSA-N 1 2 348.491 2.078 20 30 EEEDLO Cc1[nH]c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)c1C ZINC001178985880 799732931 /nfs/dbraw/zinc/73/29/31/799732931.db2.gz AZTWZSGQXWSZPZ-KRWDZBQOSA-N 1 2 338.411 2.343 20 30 EEEDLO Cc1[nH]c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)c1C ZINC001178985880 799732935 /nfs/dbraw/zinc/73/29/35/799732935.db2.gz AZTWZSGQXWSZPZ-KRWDZBQOSA-N 1 2 338.411 2.343 20 30 EEEDLO Cc1nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)[C@H](C)C#N)c(C)c(C)[nH+]1 ZINC001066123949 800043315 /nfs/dbraw/zinc/04/33/15/800043315.db2.gz VAFSPWCDTWDUKO-HFBAOOFYSA-N 1 2 327.432 2.131 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001066225020 800211042 /nfs/dbraw/zinc/21/10/42/800211042.db2.gz VGFSEYOWMYJNBO-HNNXBMFYSA-N 1 2 332.448 2.196 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)on1 ZINC001032906932 800337861 /nfs/dbraw/zinc/33/78/61/800337861.db2.gz OTYTVKMIIRZWLU-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)on1 ZINC001032906932 800337868 /nfs/dbraw/zinc/33/78/68/800337868.db2.gz OTYTVKMIIRZWLU-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C(F)F)CCCC2)[C@H](O)C1 ZINC001099970139 800412594 /nfs/dbraw/zinc/41/25/94/800412594.db2.gz SNGUCSASNJVUPP-VXGBXAGGSA-N 1 2 336.810 2.116 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C(F)F)CCCC2)[C@H](O)C1 ZINC001099970139 800412600 /nfs/dbraw/zinc/41/26/00/800412600.db2.gz SNGUCSASNJVUPP-VXGBXAGGSA-N 1 2 336.810 2.116 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCC1 ZINC001085450267 800522398 /nfs/dbraw/zinc/52/23/98/800522398.db2.gz PDXWVEYBAQPBKV-KRWDZBQOSA-N 1 2 327.428 2.400 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CN(C)C(=O)C1CCC1 ZINC001085450267 800522400 /nfs/dbraw/zinc/52/24/00/800522400.db2.gz PDXWVEYBAQPBKV-KRWDZBQOSA-N 1 2 327.428 2.400 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)c1ccncc1 ZINC001085455283 800543367 /nfs/dbraw/zinc/54/33/67/800543367.db2.gz GUVNZJPSOUOSES-AWEZNQCLSA-N 1 2 326.425 2.361 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)c1ccncc1 ZINC001085455283 800543371 /nfs/dbraw/zinc/54/33/71/800543371.db2.gz GUVNZJPSOUOSES-AWEZNQCLSA-N 1 2 326.425 2.361 20 30 EEEDLO Cc1nc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)c[nH]1 ZINC001032959034 800550468 /nfs/dbraw/zinc/55/04/68/800550468.db2.gz COWVPPQMZAIJRE-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1nc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)c[nH]1 ZINC001032959034 800550472 /nfs/dbraw/zinc/55/04/72/800550472.db2.gz COWVPPQMZAIJRE-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)n(C)n1 ZINC001085504711 800647847 /nfs/dbraw/zinc/64/78/47/800647847.db2.gz CRXMCTOXJRZQQI-ZDUSSCGKSA-N 1 2 343.456 2.008 20 30 EEEDLO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)n(C)n1 ZINC001085504711 800647850 /nfs/dbraw/zinc/64/78/50/800647850.db2.gz CRXMCTOXJRZQQI-ZDUSSCGKSA-N 1 2 343.456 2.008 20 30 EEEDLO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)nn1C ZINC001085505539 800648705 /nfs/dbraw/zinc/64/87/05/800648705.db2.gz YVALLDHXSUMACX-ZDUSSCGKSA-N 1 2 343.456 2.008 20 30 EEEDLO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)nn1C ZINC001085505539 800648707 /nfs/dbraw/zinc/64/87/07/800648707.db2.gz YVALLDHXSUMACX-ZDUSSCGKSA-N 1 2 343.456 2.008 20 30 EEEDLO C=CCC1(C(=O)N2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)CC2)CCC1 ZINC001066284937 800905058 /nfs/dbraw/zinc/90/50/58/800905058.db2.gz IBMFDFYDYLHRDG-MRXNPFEDSA-N 1 2 344.459 2.127 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(C3CC3)no2)C1 ZINC001182112901 801028606 /nfs/dbraw/zinc/02/86/06/801028606.db2.gz JAVIZEGSVVXBJN-UKRRQHHQSA-N 1 2 330.432 2.392 20 30 EEEDLO CSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110263252 801078385 /nfs/dbraw/zinc/07/83/85/801078385.db2.gz SBZNTVKLULGKCS-BMFZPTHFSA-N 1 2 333.432 2.282 20 30 EEEDLO CSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110263252 801078388 /nfs/dbraw/zinc/07/83/88/801078388.db2.gz SBZNTVKLULGKCS-BMFZPTHFSA-N 1 2 333.432 2.282 20 30 EEEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC(=O)N2CCCCC2)CC1 ZINC001085797867 801289391 /nfs/dbraw/zinc/28/93/91/801289391.db2.gz CHZAMVVILZHXLJ-SFHVURJKSA-N 1 2 347.503 2.278 20 30 EEEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC(=O)N2CCCCC2)CC1 ZINC001085797867 801289398 /nfs/dbraw/zinc/28/93/98/801289398.db2.gz CHZAMVVILZHXLJ-SFHVURJKSA-N 1 2 347.503 2.278 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C(F)(F)F)n1 ZINC001085889638 801556264 /nfs/dbraw/zinc/55/62/64/801556264.db2.gz DSTHEQYGNZSWPV-GFCCVEGCSA-N 1 2 325.334 2.270 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C(F)(F)F)n1 ZINC001085889638 801556274 /nfs/dbraw/zinc/55/62/74/801556274.db2.gz DSTHEQYGNZSWPV-GFCCVEGCSA-N 1 2 325.334 2.270 20 30 EEEDLO C=C(Cl)CN1CC[C@H]1CN(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001085905657 801618798 /nfs/dbraw/zinc/61/87/98/801618798.db2.gz MJASGVPUUAUBOF-HNNXBMFYSA-N 1 2 345.834 2.166 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2cc(C)ns2)nc1 ZINC001085934107 801691960 /nfs/dbraw/zinc/69/19/60/801691960.db2.gz SBSVQXAEFYTTRO-OAHLLOKOSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2cc(C)ns2)nc1 ZINC001085934107 801691965 /nfs/dbraw/zinc/69/19/65/801691965.db2.gz SBSVQXAEFYTTRO-OAHLLOKOSA-N 1 2 340.452 2.174 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CN(C)C(=O)[C@H]2CC[C@H](C)CC2)C1=O ZINC001085935517 801697067 /nfs/dbraw/zinc/69/70/67/801697067.db2.gz HKHZIFXRCKATRX-TVFCKZIOSA-N 1 2 347.503 2.132 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CN(C)C(=O)[C@H]2CC[C@H](C)CC2)C1=O ZINC001085935517 801697072 /nfs/dbraw/zinc/69/70/72/801697072.db2.gz HKHZIFXRCKATRX-TVFCKZIOSA-N 1 2 347.503 2.132 20 30 EEEDLO N#CC1(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)Cc2ccccc2C1 ZINC001183755677 801741387 /nfs/dbraw/zinc/74/13/87/801741387.db2.gz KWNFYQACVSNANL-IBGZPJMESA-N 1 2 331.419 2.438 20 30 EEEDLO N#CC1(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)Cc2ccccc2C1 ZINC001183755677 801741391 /nfs/dbraw/zinc/74/13/91/801741391.db2.gz KWNFYQACVSNANL-IBGZPJMESA-N 1 2 331.419 2.438 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCCN2C(=O)CC)C1 ZINC001033104547 801759257 /nfs/dbraw/zinc/75/92/57/801759257.db2.gz XIFVEJQVRGYONE-HUUCEWRRSA-N 1 2 341.883 2.063 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCCN2C(=O)CC)C1 ZINC001033104547 801759265 /nfs/dbraw/zinc/75/92/65/801759265.db2.gz XIFVEJQVRGYONE-HUUCEWRRSA-N 1 2 341.883 2.063 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCc2n[nH]cc2C1 ZINC001183829293 801761281 /nfs/dbraw/zinc/76/12/81/801761281.db2.gz SVOGJYYEHSRUOZ-IBGZPJMESA-N 1 2 349.438 2.221 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCc2n[nH]cc2C1 ZINC001183829293 801761284 /nfs/dbraw/zinc/76/12/84/801761284.db2.gz SVOGJYYEHSRUOZ-IBGZPJMESA-N 1 2 349.438 2.221 20 30 EEEDLO N#Cc1ccc(N2CC[C@H](C(=O)OCc3ccc[nH+]c3N)C2)c(F)c1 ZINC000922729264 801779627 /nfs/dbraw/zinc/77/96/27/801779627.db2.gz AASNXHVXXDUWAS-ZDUSSCGKSA-N 1 2 340.358 2.244 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2[nH]nc3c2cccc3OC)C1 ZINC001033114653 801954752 /nfs/dbraw/zinc/95/47/52/801954752.db2.gz GHNVHQKXGMGRAR-GFCCVEGCSA-N 1 2 348.834 2.470 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]nc3c2cccc3OC)C1 ZINC001033114653 801954760 /nfs/dbraw/zinc/95/47/60/801954760.db2.gz GHNVHQKXGMGRAR-GFCCVEGCSA-N 1 2 348.834 2.470 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001066386598 802123493 /nfs/dbraw/zinc/12/34/93/802123493.db2.gz HMDVDBLRQXGESW-MRXNPFEDSA-N 1 2 346.475 2.206 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001066429626 802388299 /nfs/dbraw/zinc/38/82/99/802388299.db2.gz RWRQFICWXHSYEE-GDBMZVCRSA-N 1 2 346.475 2.360 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001033177416 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C=CCN(CCOC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451148640 243013857 /nfs/dbraw/zinc/01/38/57/243013857.db2.gz QYIWHEBYZZRFRS-UHFFFAOYSA-N 1 2 330.344 2.055 20 30 EEEDLO C[C@H](O)C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(F)F ZINC000451824706 243282171 /nfs/dbraw/zinc/28/21/71/243282171.db2.gz CJGLEVXWPHDABG-JTQLQIEISA-N 1 2 345.777 2.488 20 30 EEEDLO C[C@H](O)C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(F)F ZINC000451824706 243282176 /nfs/dbraw/zinc/28/21/76/243282176.db2.gz CJGLEVXWPHDABG-JTQLQIEISA-N 1 2 345.777 2.488 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc(OC)cc(OC)c2)n1 ZINC000491430936 246031165 /nfs/dbraw/zinc/03/11/65/246031165.db2.gz ZRZXOYDYVOROHH-UHFFFAOYSA-N 1 2 343.427 2.182 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc(OC)cc(OC)c2)n1 ZINC000491430936 246031171 /nfs/dbraw/zinc/03/11/71/246031171.db2.gz ZRZXOYDYVOROHH-UHFFFAOYSA-N 1 2 343.427 2.182 20 30 EEEDLO C=CCC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)OCC ZINC000497299654 247908285 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N#Cc1ccc(CN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C2CC2)cc1 ZINC000541480847 318100232 /nfs/dbraw/zinc/10/02/32/318100232.db2.gz FQFCHYVUFOXUGR-UHFFFAOYSA-N 1 2 344.378 2.339 20 30 EEEDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)o1 ZINC000544520849 318189430 /nfs/dbraw/zinc/18/94/30/318189430.db2.gz ZBBDTJUORJSTBC-IUCAKERBSA-N 1 2 345.428 2.478 20 30 EEEDLO CSc1nc(C2CC2)cc(C(=O)NCCc2c[nH+]cn2C)c1C#N ZINC000547804987 318324964 /nfs/dbraw/zinc/32/49/64/318324964.db2.gz JQQMFSSVKDWZKT-UHFFFAOYSA-N 1 2 341.440 2.259 20 30 EEEDLO Cc1cc(C)c(NC(=O)C(=O)N2CCc3ccc(C#N)cc32)c(C)[nH+]1 ZINC000565891572 319224184 /nfs/dbraw/zinc/22/41/84/319224184.db2.gz RIIUFSLVJKMYEZ-UHFFFAOYSA-N 1 2 334.379 2.406 20 30 EEEDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC000573220157 319915370 /nfs/dbraw/zinc/91/53/70/319915370.db2.gz ZSCOLTNBGSDCPU-UHFFFAOYSA-N 1 2 343.818 2.332 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)c2[nH]ncc2F)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001087715546 782115980 /nfs/dbraw/zinc/11/59/80/782115980.db2.gz OHUVYQDNNWATLR-JKSUJKDBSA-N 1 2 341.390 2.203 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)c2[nH]ncc2F)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087715546 782115984 /nfs/dbraw/zinc/11/59/84/782115984.db2.gz OHUVYQDNNWATLR-JKSUJKDBSA-N 1 2 341.390 2.203 20 30 EEEDLO C#CCO[C@@H](C)c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000295977634 465040170 /nfs/dbraw/zinc/04/01/70/465040170.db2.gz QUVQXOUMOHIJRD-GOEBONIOSA-N 1 2 327.384 2.354 20 30 EEEDLO C#CCO[C@@H](C)c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000295977634 465040174 /nfs/dbraw/zinc/04/01/74/465040174.db2.gz QUVQXOUMOHIJRD-GOEBONIOSA-N 1 2 327.384 2.354 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1N(C[C@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000296016300 465052120 /nfs/dbraw/zinc/05/21/20/465052120.db2.gz UHTQOCTWDPZPMY-DOTOQJQBSA-N 1 2 340.427 2.115 20 30 EEEDLO Cn1ccnc1[C@H]1[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000296016300 465052126 /nfs/dbraw/zinc/05/21/26/465052126.db2.gz UHTQOCTWDPZPMY-DOTOQJQBSA-N 1 2 340.427 2.115 20 30 EEEDLO Cn1ccnc1[C@H]1[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000296016300 465052130 /nfs/dbraw/zinc/05/21/30/465052130.db2.gz UHTQOCTWDPZPMY-DOTOQJQBSA-N 1 2 340.427 2.115 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000296256548 465132404 /nfs/dbraw/zinc/13/24/04/465132404.db2.gz FYVCIMDTGUOUGF-ZBFHGGJFSA-N 1 2 325.412 2.374 20 30 EEEDLO C=CC[N@@H+](CC(=O)N[C@@H](C(=O)OC)C(C)C)Cc1ccccc1F ZINC000351440947 465156287 /nfs/dbraw/zinc/15/62/87/465156287.db2.gz JBVOWFZZFNWTMK-QGZVFWFLSA-N 1 2 336.407 2.128 20 30 EEEDLO C=CC[N@H+](CC(=O)N[C@@H](C(=O)OC)C(C)C)Cc1ccccc1F ZINC000351440947 465156291 /nfs/dbraw/zinc/15/62/91/465156291.db2.gz JBVOWFZZFNWTMK-QGZVFWFLSA-N 1 2 336.407 2.128 20 30 EEEDLO CCn1nc(C)c(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1C ZINC000355183721 465231720 /nfs/dbraw/zinc/23/17/20/465231720.db2.gz GMVHCZTZOHOSHP-YWZLYKJASA-N 1 2 349.438 2.365 20 30 EEEDLO CCn1nc(C)c(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1C ZINC000355183721 465231721 /nfs/dbraw/zinc/23/17/21/465231721.db2.gz GMVHCZTZOHOSHP-YWZLYKJASA-N 1 2 349.438 2.365 20 30 EEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000355613559 465259796 /nfs/dbraw/zinc/25/97/96/465259796.db2.gz XUCZIZOKOBKQPJ-KRWDZBQOSA-N 1 2 329.444 2.301 20 30 EEEDLO CC1(C)COCC[N@H+]1CCNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000355613559 465259803 /nfs/dbraw/zinc/25/98/03/465259803.db2.gz XUCZIZOKOBKQPJ-KRWDZBQOSA-N 1 2 329.444 2.301 20 30 EEEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000329240973 465277453 /nfs/dbraw/zinc/27/74/53/465277453.db2.gz NCSWECIRZZAAGM-IIDMSEBBSA-N 1 2 333.432 2.496 20 30 EEEDLO O=C(Nc1nnc(C2CCOCC2)s1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329326497 465300378 /nfs/dbraw/zinc/30/03/78/465300378.db2.gz WQWZLCREWODSTG-LLVKDONJSA-N 1 2 333.417 2.479 20 30 EEEDLO CC(C)(C)c1nc(=NC(=O)NC2CC[NH+](CC3CC3)CC2)s[nH]1 ZINC000329357685 465311079 /nfs/dbraw/zinc/31/10/79/465311079.db2.gz ZZABDURCGCKVFX-UHFFFAOYSA-N 1 2 337.493 2.458 20 30 EEEDLO COC(=O)c1ccc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C#N)n1 ZINC000590586023 468279435 /nfs/dbraw/zinc/27/94/35/468279435.db2.gz IVILVOHKRSQWJR-LRDDRELGSA-N 1 2 325.372 2.024 20 30 EEEDLO C=CCCCC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000359148204 465381072 /nfs/dbraw/zinc/38/10/72/465381072.db2.gz IELMLSSREANBTL-UHFFFAOYSA-N 1 2 335.492 2.183 20 30 EEEDLO C=CCCOCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000535251412 468304606 /nfs/dbraw/zinc/30/46/06/468304606.db2.gz HWOQYNJJTZQIPB-INIZCTEOSA-N 1 2 328.416 2.401 20 30 EEEDLO C#C[C@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)C(C)(C)C ZINC000491147958 468309262 /nfs/dbraw/zinc/30/92/62/468309262.db2.gz UBAGNGJCIWRDQA-INIZCTEOSA-N 1 2 331.441 2.258 20 30 EEEDLO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046528261 462687310 /nfs/dbraw/zinc/68/73/10/462687310.db2.gz XNEJDWYSHFZOFG-CQSZACIVSA-N 1 2 348.406 2.364 20 30 EEEDLO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046528261 462687316 /nfs/dbraw/zinc/68/73/16/462687316.db2.gz XNEJDWYSHFZOFG-CQSZACIVSA-N 1 2 348.406 2.364 20 30 EEEDLO CCC(=O)N1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000075643722 462744375 /nfs/dbraw/zinc/74/43/75/462744375.db2.gz MYHOGFUULDBLOW-UHFFFAOYSA-N 1 2 339.399 2.053 20 30 EEEDLO CCC(=O)N1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000075643722 462744379 /nfs/dbraw/zinc/74/43/79/462744379.db2.gz MYHOGFUULDBLOW-UHFFFAOYSA-N 1 2 339.399 2.053 20 30 EEEDLO CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000047796606 462825063 /nfs/dbraw/zinc/82/50/63/462825063.db2.gz GYBMXSVQPYVIJX-ZFWWWQNUSA-N 1 2 344.415 2.096 20 30 EEEDLO CCOC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000047796606 462825068 /nfs/dbraw/zinc/82/50/68/462825068.db2.gz GYBMXSVQPYVIJX-ZFWWWQNUSA-N 1 2 344.415 2.096 20 30 EEEDLO Cc1[nH+]c2cc(NC(=O)C(=O)NCc3ccc(C#N)cc3)ccc2n1C ZINC000076238297 462827504 /nfs/dbraw/zinc/82/75/04/462827504.db2.gz MPGKOVJGMYTBKF-UHFFFAOYSA-N 1 2 347.378 2.008 20 30 EEEDLO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](CCC#N)CC(C)(C)C ZINC000119195520 462880511 /nfs/dbraw/zinc/88/05/11/462880511.db2.gz VXKNIMJHINYBCI-UHFFFAOYSA-N 1 2 333.480 2.327 20 30 EEEDLO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](CCC#N)CC(C)(C)C ZINC000119195520 462880515 /nfs/dbraw/zinc/88/05/15/462880515.db2.gz VXKNIMJHINYBCI-UHFFFAOYSA-N 1 2 333.480 2.327 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(F)cc1F ZINC000155624579 462919785 /nfs/dbraw/zinc/91/97/85/462919785.db2.gz WDSITHKWLVFMLU-LBPRGKRZSA-N 1 2 329.354 2.337 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(F)cc1F ZINC000155624579 462919789 /nfs/dbraw/zinc/91/97/89/462919789.db2.gz WDSITHKWLVFMLU-LBPRGKRZSA-N 1 2 329.354 2.337 20 30 EEEDLO CCOc1ccc(C(=O)CCC(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000077038041 462936794 /nfs/dbraw/zinc/93/67/94/462936794.db2.gz UHFQTQNMSCQKLA-UHFFFAOYSA-N 1 2 343.427 2.152 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000051184062 463024579 /nfs/dbraw/zinc/02/45/79/463024579.db2.gz MJLJKLAQUGXBFF-OAHLLOKOSA-N 1 2 348.878 2.470 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000052661238 463098966 /nfs/dbraw/zinc/09/89/66/463098966.db2.gz ZHXJXSTXHLLRFH-OAHLLOKOSA-N 1 2 348.878 2.218 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000052661238 463098971 /nfs/dbraw/zinc/09/89/71/463098971.db2.gz ZHXJXSTXHLLRFH-OAHLLOKOSA-N 1 2 348.878 2.218 20 30 EEEDLO C=CC[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000121434070 463135100 /nfs/dbraw/zinc/13/51/00/463135100.db2.gz UZFHFJVSIDBFRV-ZDUSSCGKSA-N 1 2 341.333 2.411 20 30 EEEDLO C=CC[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000121434070 463135101 /nfs/dbraw/zinc/13/51/01/463135101.db2.gz UZFHFJVSIDBFRV-ZDUSSCGKSA-N 1 2 341.333 2.411 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000157799600 463170723 /nfs/dbraw/zinc/17/07/23/463170723.db2.gz XVZNYHYZSPVGMD-OALUTQOASA-N 1 2 346.471 2.236 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000157799600 463170727 /nfs/dbraw/zinc/17/07/27/463170727.db2.gz XVZNYHYZSPVGMD-OALUTQOASA-N 1 2 346.471 2.236 20 30 EEEDLO C=CCOc1ccc(C[NH+]2CCN(c3cnccn3)CC2)cc1OC ZINC000157918301 463184294 /nfs/dbraw/zinc/18/42/94/463184294.db2.gz SCPQQXZVAKLHRS-UHFFFAOYSA-N 1 2 340.427 2.372 20 30 EEEDLO Cc1cccc(C)c1NC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000028753556 463232808 /nfs/dbraw/zinc/23/28/08/463232808.db2.gz VLCNFOVDBKRRBU-UHFFFAOYSA-N 1 2 349.438 2.331 20 30 EEEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1)C1CC1 ZINC000054530179 463241253 /nfs/dbraw/zinc/24/12/53/463241253.db2.gz MVRQDUNEHUGYHH-HXUWFJFHSA-N 1 2 339.439 2.390 20 30 EEEDLO Cc1ccc(NC(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(C)c1 ZINC000029444072 463257173 /nfs/dbraw/zinc/25/71/73/463257173.db2.gz PPLJZNWYOCZSCX-UHFFFAOYSA-N 1 2 349.438 2.331 20 30 EEEDLO N#Cc1ccccc1OCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000055696877 463343618 /nfs/dbraw/zinc/34/36/18/463343618.db2.gz LKQZWHTWJCHANT-UHFFFAOYSA-N 1 2 332.363 2.439 20 30 EEEDLO N#CCC[N@@H+](CC(=O)NCCOc1ccc(Cl)cc1)CC1CC1 ZINC000081044880 463387520 /nfs/dbraw/zinc/38/75/20/463387520.db2.gz HSZFYEXNBQIZES-UHFFFAOYSA-N 1 2 335.835 2.461 20 30 EEEDLO N#CCC[N@H+](CC(=O)NCCOc1ccc(Cl)cc1)CC1CC1 ZINC000081044880 463387526 /nfs/dbraw/zinc/38/75/26/463387526.db2.gz HSZFYEXNBQIZES-UHFFFAOYSA-N 1 2 335.835 2.461 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(OC(F)F)cc1 ZINC000081158117 463400229 /nfs/dbraw/zinc/40/02/29/463400229.db2.gz IVSDVLKHBJRFKD-UHFFFAOYSA-N 1 2 339.386 2.336 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(Cl)cc1F ZINC000161684931 463449247 /nfs/dbraw/zinc/44/92/47/463449247.db2.gz MWYGDLVNWVVTTL-UHFFFAOYSA-N 1 2 339.798 2.167 20 30 EEEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc(C#N)c1 ZINC000081512512 463450928 /nfs/dbraw/zinc/45/09/28/463450928.db2.gz XTNWSPUGFSRHJG-UHFFFAOYSA-N 1 2 339.420 2.336 20 30 EEEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc(C#N)c1 ZINC000081512512 463450931 /nfs/dbraw/zinc/45/09/31/463450931.db2.gz XTNWSPUGFSRHJG-UHFFFAOYSA-N 1 2 339.420 2.336 20 30 EEEDLO CN1CC[NH+](Cc2cccc(NC(=O)C3(C#N)CCCC3)c2)CC1 ZINC000057273989 463473624 /nfs/dbraw/zinc/47/36/24/463473624.db2.gz UISDJVCWDMANRN-UHFFFAOYSA-N 1 2 326.444 2.456 20 30 EEEDLO COc1ccc([C@H](NC(=O)C[NH+]2CCC(C#N)CC2)C2CC2)cc1 ZINC000057878162 463526183 /nfs/dbraw/zinc/52/61/83/463526183.db2.gz RSGHYDPULICFDX-LJQANCHMSA-N 1 2 327.428 2.498 20 30 EEEDLO C=CCCOCCNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000125426317 463543700 /nfs/dbraw/zinc/54/37/00/463543700.db2.gz DATZUTXCIYYAKW-HNNXBMFYSA-N 1 2 341.402 2.459 20 30 EEEDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2cc(C#N)cs2)C[C@H](C)O1 ZINC000084183067 463582879 /nfs/dbraw/zinc/58/28/79/463582879.db2.gz DZUWKSJJSNUVNU-GUTXKFCHSA-N 1 2 333.457 2.334 20 30 EEEDLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2cc(C#N)cs2)C[C@H](C)O1 ZINC000084183067 463582884 /nfs/dbraw/zinc/58/28/84/463582884.db2.gz DZUWKSJJSNUVNU-GUTXKFCHSA-N 1 2 333.457 2.334 20 30 EEEDLO COc1ccccc1N1C(=O)C[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1=O ZINC000125844435 463585668 /nfs/dbraw/zinc/58/56/68/463585668.db2.gz QKYQZVXVALQIAO-QGZVFWFLSA-N 1 2 349.390 2.331 20 30 EEEDLO COc1ccccc1N1C(=O)C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1=O ZINC000125844435 463585672 /nfs/dbraw/zinc/58/56/72/463585672.db2.gz QKYQZVXVALQIAO-QGZVFWFLSA-N 1 2 349.390 2.331 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CCn2cc[nH+]c2-c2cccnc2)cc1 ZINC000151947938 463618333 /nfs/dbraw/zinc/61/83/33/463618333.db2.gz RHTIOUCCZNBHKW-UHFFFAOYSA-N 1 2 338.392 2.291 20 30 EEEDLO N#CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177781282 463790292 /nfs/dbraw/zinc/79/02/92/463790292.db2.gz LJNYGNFOZQSCEX-ZGRWHYIRSA-N 1 2 336.395 2.490 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000177976581 463821417 /nfs/dbraw/zinc/82/14/17/463821417.db2.gz JPYHBYCIPCDHKB-CXAGYDPISA-N 1 2 333.457 2.476 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@](C)(O)C1 ZINC000177976581 463821422 /nfs/dbraw/zinc/82/14/22/463821422.db2.gz JPYHBYCIPCDHKB-CXAGYDPISA-N 1 2 333.457 2.476 20 30 EEEDLO Cc1cccc([C@@H](CNC(=O)NCCCCC#N)[NH+]2CCOCC2)c1 ZINC000171735122 463916598 /nfs/dbraw/zinc/91/65/98/463916598.db2.gz VQIUMRVJAHSZIN-GOSISDBHSA-N 1 2 344.459 2.361 20 30 EEEDLO CCc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1CC ZINC000278813284 463992155 /nfs/dbraw/zinc/99/21/55/463992155.db2.gz INVLSRVZQVLWTH-OKILXGFUSA-N 1 2 331.464 2.018 20 30 EEEDLO CCc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1CC ZINC000278813284 463992158 /nfs/dbraw/zinc/99/21/58/463992158.db2.gz INVLSRVZQVLWTH-OKILXGFUSA-N 1 2 331.464 2.018 20 30 EEEDLO CC(C)(C)OC(=O)NCC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000178868243 463997687 /nfs/dbraw/zinc/99/76/87/463997687.db2.gz MHULLEYHYPEIQN-KRWDZBQOSA-N 1 2 344.459 2.394 20 30 EEEDLO CCCCCCCS(=O)(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000195247922 464024396 /nfs/dbraw/zinc/02/43/96/464024396.db2.gz PEYCQSGPMIMBRS-KRWDZBQOSA-N 1 2 346.537 2.331 20 30 EEEDLO CC(C)[C@@H](C(=O)Nc1n[nH]c(C2CC2)c1C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000290371506 464117281 /nfs/dbraw/zinc/11/72/81/464117281.db2.gz GZQGGVSSIHTVPV-OZVIIMIRSA-N 1 2 345.447 2.231 20 30 EEEDLO CC(C)[C@@H](C(=O)Nc1n[nH]c(C2CC2)c1C#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000290371506 464117283 /nfs/dbraw/zinc/11/72/83/464117283.db2.gz GZQGGVSSIHTVPV-OZVIIMIRSA-N 1 2 345.447 2.231 20 30 EEEDLO CC(C)(C)c1ncc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cn1 ZINC000284271337 464132151 /nfs/dbraw/zinc/13/21/51/464132151.db2.gz GWBBULUTWKGSSF-UHFFFAOYSA-N 1 2 336.443 2.363 20 30 EEEDLO CO[C@@](C)(C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000290969963 464138781 /nfs/dbraw/zinc/13/87/81/464138781.db2.gz OOTWBYSHPLLMPQ-LJQANCHMSA-N 1 2 327.428 2.018 20 30 EEEDLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292241058 464170138 /nfs/dbraw/zinc/17/01/38/464170138.db2.gz QFWPYKGGMJHLFM-AEFFLSMTSA-N 1 2 337.379 2.321 20 30 EEEDLO COC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292241058 464170141 /nfs/dbraw/zinc/17/01/41/464170141.db2.gz QFWPYKGGMJHLFM-AEFFLSMTSA-N 1 2 337.379 2.321 20 30 EEEDLO N#CCc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000270203340 464218845 /nfs/dbraw/zinc/21/88/45/464218845.db2.gz GUTHFJVAJKDBGE-HXUWFJFHSA-N 1 2 349.434 2.383 20 30 EEEDLO N#CCc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000270203340 464218848 /nfs/dbraw/zinc/21/88/48/464218848.db2.gz GUTHFJVAJKDBGE-HXUWFJFHSA-N 1 2 349.434 2.383 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1O ZINC000188214146 464226421 /nfs/dbraw/zinc/22/64/21/464226421.db2.gz PWANPNYIBPIDFM-OAHLLOKOSA-N 1 2 325.368 2.424 20 30 EEEDLO C=CCn1c(SCC[N@H+]2CCOC[C@@H]2C)nc2ccccc2c1=O ZINC000188218611 464227078 /nfs/dbraw/zinc/22/70/78/464227078.db2.gz FOAXMFUNTSXTLB-AWEZNQCLSA-N 1 2 345.468 2.395 20 30 EEEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@@H]2C)nc2ccccc2c1=O ZINC000188218611 464227087 /nfs/dbraw/zinc/22/70/87/464227087.db2.gz FOAXMFUNTSXTLB-AWEZNQCLSA-N 1 2 345.468 2.395 20 30 EEEDLO C=CCOCCCC(=O)N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000173459460 464264999 /nfs/dbraw/zinc/26/49/99/464264999.db2.gz HYSDOTVOQFNNIR-UHFFFAOYSA-N 1 2 348.491 2.265 20 30 EEEDLO NC(=[NH+]OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCO1 ZINC000284619172 464265929 /nfs/dbraw/zinc/26/59/29/464265929.db2.gz ZLORZYMEZVWUTJ-CYBMUJFWSA-N 1 2 332.316 2.218 20 30 EEEDLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)CCCCC#N ZINC000292721187 464319763 /nfs/dbraw/zinc/31/97/63/464319763.db2.gz MUBGQVFEYOATKI-OAHLLOKOSA-N 1 2 332.429 2.455 20 30 EEEDLO Cc1nc(Nc2cnn(CC[NH+]3CCOCC3)c2)c(Cl)cc1C#N ZINC000292734066 464323881 /nfs/dbraw/zinc/32/38/81/464323881.db2.gz UVCAXMNPDFOPPF-UHFFFAOYSA-N 1 2 346.822 2.187 20 30 EEEDLO N#CCCCC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000292856525 464364450 /nfs/dbraw/zinc/36/44/50/464364450.db2.gz CDURDQUACJOXOZ-OAHLLOKOSA-N 1 2 328.416 2.355 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000281238275 464382760 /nfs/dbraw/zinc/38/27/60/464382760.db2.gz FJCSCFCHZYDVCF-FUHWJXTLSA-N 1 2 344.459 2.462 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cc(C)ccc2C)C1=O ZINC000281251792 464386237 /nfs/dbraw/zinc/38/62/37/464386237.db2.gz GVLQPVOMRASMFQ-RDJZCZTQSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2cc(C)ccc2C)C1=O ZINC000281251792 464386242 /nfs/dbraw/zinc/38/62/42/464386242.db2.gz GVLQPVOMRASMFQ-RDJZCZTQSA-N 1 2 329.444 2.349 20 30 EEEDLO CN(C)c1cc(C#N)cc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)c1 ZINC000293078581 464386918 /nfs/dbraw/zinc/38/69/18/464386918.db2.gz DRHBIQBRQFJMOB-MRXNPFEDSA-N 1 2 339.399 2.210 20 30 EEEDLO CN(C)c1cc(C#N)cc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)c1 ZINC000293078581 464386924 /nfs/dbraw/zinc/38/69/24/464386924.db2.gz DRHBIQBRQFJMOB-MRXNPFEDSA-N 1 2 339.399 2.210 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1=O ZINC000281258649 464390649 /nfs/dbraw/zinc/39/06/49/464390649.db2.gz HHTLHHPLTLQGOQ-RDJZCZTQSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1=O ZINC000281258649 464390654 /nfs/dbraw/zinc/39/06/54/464390654.db2.gz HHTLHHPLTLQGOQ-RDJZCZTQSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2OCC)C1=O ZINC000281441061 464456086 /nfs/dbraw/zinc/45/60/86/464456086.db2.gz TYORBHRYVQEWEM-HOCLYGCPSA-N 1 2 345.443 2.131 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccccc2OCC)C1=O ZINC000281441061 464456092 /nfs/dbraw/zinc/45/60/92/464456092.db2.gz TYORBHRYVQEWEM-HOCLYGCPSA-N 1 2 345.443 2.131 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3COc4ccccc43)CC2)cc1 ZINC000264868695 464497116 /nfs/dbraw/zinc/49/71/16/464497116.db2.gz HJKLSACSMGJYOL-LJQANCHMSA-N 1 2 347.418 2.379 20 30 EEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000245796707 464516651 /nfs/dbraw/zinc/51/66/51/464516651.db2.gz OTFKLPOWQJBERQ-OAGGEKHMSA-N 1 2 345.443 2.155 20 30 EEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000245796707 464516658 /nfs/dbraw/zinc/51/66/58/464516658.db2.gz OTFKLPOWQJBERQ-OAGGEKHMSA-N 1 2 345.443 2.155 20 30 EEEDLO C#CCO[C@H](C)C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000294576366 464541429 /nfs/dbraw/zinc/54/14/29/464541429.db2.gz UTXKGZRMYSDRDU-MRXNPFEDSA-N 1 2 349.434 2.299 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246420798 464582116 /nfs/dbraw/zinc/58/21/16/464582116.db2.gz CAYAUNXPNXVEMJ-NVXWUHKLSA-N 1 2 336.457 2.354 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246420798 464582118 /nfs/dbraw/zinc/58/21/18/464582118.db2.gz CAYAUNXPNXVEMJ-NVXWUHKLSA-N 1 2 336.457 2.354 20 30 EEEDLO N#Cc1cccc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)n1 ZINC000265559856 464600821 /nfs/dbraw/zinc/60/08/21/464600821.db2.gz SBWBLYVSNFJTNK-UHFFFAOYSA-N 1 2 335.411 2.468 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(C)(C#N)CC1 ZINC000272644155 464683504 /nfs/dbraw/zinc/68/35/04/464683504.db2.gz YBJMQCIEGPVGHT-ZDUSSCGKSA-N 1 2 329.400 2.410 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCC(=O)OCC)Cc1cccnc1 ZINC000272735359 464685965 /nfs/dbraw/zinc/68/59/65/464685965.db2.gz FCKKEVACFLFZNJ-UHFFFAOYSA-N 1 2 347.459 2.261 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCC(=O)OCC)Cc1cccnc1 ZINC000272735359 464685972 /nfs/dbraw/zinc/68/59/72/464685972.db2.gz FCKKEVACFLFZNJ-UHFFFAOYSA-N 1 2 347.459 2.261 20 30 EEEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1C(=O)NCC(C)C)C1CC1 ZINC000274123410 464735417 /nfs/dbraw/zinc/73/54/17/464735417.db2.gz HBPJCOXBSLWVAD-UHFFFAOYSA-N 1 2 327.428 2.109 20 30 EEEDLO C#CC[N@H+](CC(=O)Nc1ccccc1C(=O)NCC(C)C)C1CC1 ZINC000274123410 464735422 /nfs/dbraw/zinc/73/54/22/464735422.db2.gz HBPJCOXBSLWVAD-UHFFFAOYSA-N 1 2 327.428 2.109 20 30 EEEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1-c1ccc(F)cc1F ZINC000579845144 468422530 /nfs/dbraw/zinc/42/25/30/468422530.db2.gz WCYKMCLWAFGKMI-QGZVFWFLSA-N 1 2 347.369 2.033 20 30 EEEDLO NC(=[NH+]OCc1ccc(F)cn1)c1ccc(N2CCCCC2)nc1 ZINC000276039463 464795759 /nfs/dbraw/zinc/79/57/59/464795759.db2.gz GCSGNGCCWPLOMY-UHFFFAOYSA-N 1 2 329.379 2.443 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCNC(C)=O)Cc1ccsc1 ZINC000282560088 464866561 /nfs/dbraw/zinc/86/65/61/464866561.db2.gz UCYYGSJHRMVVLL-UHFFFAOYSA-N 1 2 337.489 2.111 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCNC(C)=O)Cc1ccsc1 ZINC000282560088 464866568 /nfs/dbraw/zinc/86/65/68/464866568.db2.gz UCYYGSJHRMVVLL-UHFFFAOYSA-N 1 2 337.489 2.111 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000249406138 464872236 /nfs/dbraw/zinc/87/22/36/464872236.db2.gz WRIHJBODZNTBNA-KXBFYZLASA-N 1 2 347.459 2.152 20 30 EEEDLO CCn1nc(CN(CCC#N)CC[NH+]2CCOCC2)c2ccccc21 ZINC000351994232 465466230 /nfs/dbraw/zinc/46/62/30/465466230.db2.gz FFBQUHURMBHENV-UHFFFAOYSA-N 1 2 341.459 2.104 20 30 EEEDLO COc1c[nH+]c(NCC2(CC#N)CC2)nc1NCC1(CC#N)CC1 ZINC000343046691 465472457 /nfs/dbraw/zinc/47/24/57/465472457.db2.gz SYLMDDONFLWUTI-UHFFFAOYSA-N 1 2 326.404 2.697 20 30 EEEDLO C[C@@H](C#N)S(=O)(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000352413961 465526008 /nfs/dbraw/zinc/52/60/08/465526008.db2.gz RRLXZNQEMHYMPX-ZDUSSCGKSA-N 1 2 341.864 2.090 20 30 EEEDLO C[C@@H](C#N)S(=O)(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000352413961 465526012 /nfs/dbraw/zinc/52/60/12/465526012.db2.gz RRLXZNQEMHYMPX-ZDUSSCGKSA-N 1 2 341.864 2.090 20 30 EEEDLO CS(=O)(=O)C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC000330087202 465528667 /nfs/dbraw/zinc/52/86/67/465528667.db2.gz MZHLJOMCXMZHAR-AWEZNQCLSA-N 1 2 328.478 2.317 20 30 EEEDLO CS(=O)(=O)C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCC1 ZINC000330087202 465528669 /nfs/dbraw/zinc/52/86/69/465528669.db2.gz MZHLJOMCXMZHAR-AWEZNQCLSA-N 1 2 328.478 2.317 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)Nc1ccncc1)Cc1cnn(C(C)C)c1 ZINC000352903234 465566892 /nfs/dbraw/zinc/56/68/92/465566892.db2.gz PHDWXIQYEVFVPO-UHFFFAOYSA-N 1 2 327.432 2.298 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)Nc1ccncc1)Cc1cnn(C(C)C)c1 ZINC000352903234 465566914 /nfs/dbraw/zinc/56/69/14/465566914.db2.gz PHDWXIQYEVFVPO-UHFFFAOYSA-N 1 2 327.432 2.298 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+](CCC2CCCCC2)CC(N)=O)cc1 ZINC000337776638 465571966 /nfs/dbraw/zinc/57/19/66/465571966.db2.gz ICAFXELMCOQCMH-UHFFFAOYSA-N 1 2 342.443 2.254 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+](CCC2CCCCC2)CC(N)=O)cc1 ZINC000337776638 465571974 /nfs/dbraw/zinc/57/19/74/465571974.db2.gz ICAFXELMCOQCMH-UHFFFAOYSA-N 1 2 342.443 2.254 20 30 EEEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1C[C@H](O)C1(C)C)CC2 ZINC000330321901 465611472 /nfs/dbraw/zinc/61/14/72/465611472.db2.gz SILAHVQPJUZMKI-SJORKVTESA-N 1 2 348.443 2.178 20 30 EEEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1C[C@H](O)C1(C)C)CC2 ZINC000330321901 465611478 /nfs/dbraw/zinc/61/14/78/465611478.db2.gz SILAHVQPJUZMKI-SJORKVTESA-N 1 2 348.443 2.178 20 30 EEEDLO CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330340061 465621377 /nfs/dbraw/zinc/62/13/77/465621377.db2.gz XLQIHJYJUSXDPZ-FMKPAKJESA-N 1 2 348.447 2.388 20 30 EEEDLO Cc1cc([NH+](C)C)cc(C)c1NC([O-])=[NH+]C[C@@H]1CCS(=O)(=O)C1 ZINC000330401023 465645652 /nfs/dbraw/zinc/64/56/52/465645652.db2.gz KABNIHUBOWGRQQ-ZDUSSCGKSA-N 1 2 339.461 2.130 20 30 EEEDLO COc1ccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cc1OCCCC#N ZINC000371337367 465726008 /nfs/dbraw/zinc/72/60/08/465726008.db2.gz UJKDDMACEPSXFH-HNNXBMFYSA-N 1 2 345.399 2.014 20 30 EEEDLO COc1ccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cc1OCCCC#N ZINC000371337367 465726012 /nfs/dbraw/zinc/72/60/12/465726012.db2.gz UJKDDMACEPSXFH-HNNXBMFYSA-N 1 2 345.399 2.014 20 30 EEEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(OC)cc1OC ZINC000299428088 465743878 /nfs/dbraw/zinc/74/38/78/465743878.db2.gz UKBADOYFOLIUJX-LJQANCHMSA-N 1 2 345.443 2.334 20 30 EEEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(OC)cc1OC ZINC000299428088 465743887 /nfs/dbraw/zinc/74/38/87/465743887.db2.gz UKBADOYFOLIUJX-LJQANCHMSA-N 1 2 345.443 2.334 20 30 EEEDLO Cc1nsc(N2CC[NH+](Cc3c(C4CC4)cnn3C)CC2)c1C#N ZINC000597133526 468455820 /nfs/dbraw/zinc/45/58/20/468455820.db2.gz VCNMQMVAXXHSPV-UHFFFAOYSA-N 1 2 342.472 2.256 20 30 EEEDLO C=CCCCc1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000357235505 465880118 /nfs/dbraw/zinc/88/01/18/465880118.db2.gz QEWVCSHNMAFESG-UHFFFAOYSA-N 1 2 341.415 2.028 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000345937160 465916525 /nfs/dbraw/zinc/91/65/25/465916525.db2.gz DCKDAHFUSYRFMT-HZPDHXFCSA-N 1 2 335.473 2.077 20 30 EEEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)N(C)CC(C)C)CC1 ZINC000331280257 466010730 /nfs/dbraw/zinc/01/07/30/466010730.db2.gz BKEBYXANCSBVDC-UHFFFAOYSA-N 1 2 346.475 2.484 20 30 EEEDLO C=CCN1C(=O)N(CCCn2cc[nH+]c2)C(=O)[C@H]1Cc1ccccc1 ZINC000349296062 466055195 /nfs/dbraw/zinc/05/51/95/466055195.db2.gz KKGKZWAQIOGSCU-QGZVFWFLSA-N 1 2 338.411 2.335 20 30 EEEDLO CC(=O)NCC[N@H+](CCC(C)(C)C#N)[C@H](C)C(=O)OC(C)(C)C ZINC000346953431 466278580 /nfs/dbraw/zinc/27/85/80/466278580.db2.gz FCBQZQPSVDAFRF-CYBMUJFWSA-N 1 2 325.453 2.095 20 30 EEEDLO CC(=O)NCC[N@@H+](CCC(C)(C)C#N)[C@H](C)C(=O)OC(C)(C)C ZINC000346953431 466278582 /nfs/dbraw/zinc/27/85/82/466278582.db2.gz FCBQZQPSVDAFRF-CYBMUJFWSA-N 1 2 325.453 2.095 20 30 EEEDLO Cc1nc(NCc2cccc(C(=O)N[C@@]3(C#N)CC3(C)C)c2)cc[nH+]1 ZINC000555625292 468487466 /nfs/dbraw/zinc/48/74/66/468487466.db2.gz JATFGIQOXGXEDW-LJQANCHMSA-N 1 2 335.411 2.819 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000581072689 468488279 /nfs/dbraw/zinc/48/82/79/468488279.db2.gz AMZFPNTYYBOFKH-QGZVFWFLSA-N 1 2 345.834 2.158 20 30 EEEDLO C=CCN(CCOC)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000358229885 466557777 /nfs/dbraw/zinc/55/77/77/466557777.db2.gz XRXQKNRQXYVVOB-UHFFFAOYSA-N 1 2 342.443 2.318 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1Cl ZINC000372742366 466567844 /nfs/dbraw/zinc/56/78/44/466567844.db2.gz QJKBEAHLOUHNEG-CYBMUJFWSA-N 1 2 344.864 2.158 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1Cl ZINC000372742366 466567851 /nfs/dbraw/zinc/56/78/51/466567851.db2.gz QJKBEAHLOUHNEG-CYBMUJFWSA-N 1 2 344.864 2.158 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000368590496 466679454 /nfs/dbraw/zinc/67/94/54/466679454.db2.gz DDLQYCAAIYVYGY-GBESFXJTSA-N 1 2 339.439 2.018 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)c3ccncc3)CC2)ccc1F ZINC000370433577 466876694 /nfs/dbraw/zinc/87/66/94/466876694.db2.gz NPCLSGCLGRZGEJ-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)c3ccncc3)CC2)ccc1F ZINC000370433577 466876700 /nfs/dbraw/zinc/87/67/00/466876700.db2.gz NPCLSGCLGRZGEJ-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO Cc1cc(NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c(C#N)c[nH+]1 ZINC000425196873 467088067 /nfs/dbraw/zinc/08/80/67/467088067.db2.gz AIHBEFOHXHAVJN-IBGZPJMESA-N 1 2 340.402 2.308 20 30 EEEDLO COc1ccc(CNC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N)cc1OC ZINC000433289313 467314617 /nfs/dbraw/zinc/31/46/17/467314617.db2.gz PKAWCEPXEVPWNE-CYBMUJFWSA-N 1 2 333.432 2.190 20 30 EEEDLO COc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N)cc1OC ZINC000433289313 467314619 /nfs/dbraw/zinc/31/46/19/467314619.db2.gz PKAWCEPXEVPWNE-CYBMUJFWSA-N 1 2 333.432 2.190 20 30 EEEDLO C=CCCCN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414594024 467421444 /nfs/dbraw/zinc/42/14/44/467421444.db2.gz YQJFDZMFRQQFHK-QGZVFWFLSA-N 1 2 343.471 2.144 20 30 EEEDLO C=CCCCN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414594024 467421448 /nfs/dbraw/zinc/42/14/48/467421448.db2.gz YQJFDZMFRQQFHK-QGZVFWFLSA-N 1 2 343.471 2.144 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1Cc2ccccc2[C@H](C(=O)OCC)C1 ZINC000441119016 467571620 /nfs/dbraw/zinc/57/16/20/467571620.db2.gz UNQYQTOOEYBTFK-GOSISDBHSA-N 1 2 342.439 2.350 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1Cc2ccccc2[C@H](C(=O)OCC)C1 ZINC000441119016 467571622 /nfs/dbraw/zinc/57/16/22/467571622.db2.gz UNQYQTOOEYBTFK-GOSISDBHSA-N 1 2 342.439 2.350 20 30 EEEDLO C=C(CC)CNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000454247150 467579484 /nfs/dbraw/zinc/57/94/84/467579484.db2.gz UHSPXDMNCXFCSM-UHFFFAOYSA-N 1 2 344.459 2.355 20 30 EEEDLO C[C@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000448621568 467596608 /nfs/dbraw/zinc/59/66/08/467596608.db2.gz LFKWIFUZOCANDJ-KSSFIOAISA-N 1 2 347.846 2.413 20 30 EEEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cnn(C)c3C#N)n2)C1 ZINC000525994361 467647269 /nfs/dbraw/zinc/64/72/69/467647269.db2.gz MFZXNCLBGUFHEI-LLVKDONJSA-N 1 2 344.444 2.232 20 30 EEEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cnn(C)c3C#N)n2)C1 ZINC000525994361 467647273 /nfs/dbraw/zinc/64/72/73/467647273.db2.gz MFZXNCLBGUFHEI-LLVKDONJSA-N 1 2 344.444 2.232 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000457560358 467652334 /nfs/dbraw/zinc/65/23/34/467652334.db2.gz VMFJJCYRYNBWCI-CZUORRHYSA-N 1 2 346.406 2.275 20 30 EEEDLO CCC(C#N)(CC)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000527699526 467664470 /nfs/dbraw/zinc/66/44/70/467664470.db2.gz CFLRNPBJEMCJFM-UHFFFAOYSA-N 1 2 329.444 2.465 20 30 EEEDLO COc1cc(C#N)ccc1OCC(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457291244 467795169 /nfs/dbraw/zinc/79/51/69/467795169.db2.gz NCCOTUQHZWCSCC-UHFFFAOYSA-N 1 2 346.412 2.102 20 30 EEEDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000495749404 468102221 /nfs/dbraw/zinc/10/22/21/468102221.db2.gz LOQRJCWYQVCTJY-INIZCTEOSA-N 1 2 344.415 2.049 20 30 EEEDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000495749404 468102232 /nfs/dbraw/zinc/10/22/32/468102232.db2.gz LOQRJCWYQVCTJY-INIZCTEOSA-N 1 2 344.415 2.049 20 30 EEEDLO CCn1cc(C[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000532553588 468123497 /nfs/dbraw/zinc/12/34/97/468123497.db2.gz RIKQCTDXLDTKLP-UHFFFAOYSA-N 1 2 331.807 2.499 20 30 EEEDLO CCn1cc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000532553588 468123501 /nfs/dbraw/zinc/12/35/01/468123501.db2.gz RIKQCTDXLDTKLP-UHFFFAOYSA-N 1 2 331.807 2.499 20 30 EEEDLO C=CCC[C@@H]1NC(=O)N(c2cccc([C@H](C)[NH+]3CCOCC3)c2)C1=O ZINC000569555119 468508837 /nfs/dbraw/zinc/50/88/37/468508837.db2.gz AJQQPTKTKQIAJS-YOEHRIQHSA-N 1 2 343.427 2.471 20 30 EEEDLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592146211 468637430 /nfs/dbraw/zinc/63/74/30/468637430.db2.gz FYDHZGVZCVPDTI-ZUZCIYMTSA-N 1 2 325.771 2.157 20 30 EEEDLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592146211 468637435 /nfs/dbraw/zinc/63/74/35/468637435.db2.gz FYDHZGVZCVPDTI-ZUZCIYMTSA-N 1 2 325.771 2.157 20 30 EEEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597710437 468647322 /nfs/dbraw/zinc/64/73/22/468647322.db2.gz UNOUNRQXDXMPTQ-LPHOPBHVSA-N 1 2 341.455 2.060 20 30 EEEDLO CC[C@@H](C(=O)N1CCc2cc(C#N)ccc21)[N@@H+]1CCO[C@H](CC)C1 ZINC000597771007 468664234 /nfs/dbraw/zinc/66/42/34/468664234.db2.gz AWLVKQFYPJQXIA-SJORKVTESA-N 1 2 327.428 2.337 20 30 EEEDLO CC[C@@H](C(=O)N1CCc2cc(C#N)ccc21)[N@H+]1CCO[C@H](CC)C1 ZINC000597771007 468664239 /nfs/dbraw/zinc/66/42/39/468664239.db2.gz AWLVKQFYPJQXIA-SJORKVTESA-N 1 2 327.428 2.337 20 30 EEEDLO COc1ccc(-c2nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cs2)cc1 ZINC000584028961 468787059 /nfs/dbraw/zinc/78/70/59/468787059.db2.gz PDRZYXYZMLDYHT-QGZVFWFLSA-N 1 2 344.440 2.392 20 30 EEEDLO CCN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)[C@H](C)C#N ZINC000598356620 468841646 /nfs/dbraw/zinc/84/16/46/468841646.db2.gz SKICNIGLRVZWFR-CQSZACIVSA-N 1 2 339.399 2.286 20 30 EEEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ccccc2CC#N)cn1 ZINC000601565083 468920759 /nfs/dbraw/zinc/92/07/59/468920759.db2.gz ZTLFCVBUPUEGKH-UHFFFAOYSA-N 1 2 348.410 2.025 20 30 EEEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598593020 468926773 /nfs/dbraw/zinc/92/67/73/468926773.db2.gz QBSQHKZEJWQMTG-SJORKVTESA-N 1 2 332.444 2.393 20 30 EEEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598593020 468926776 /nfs/dbraw/zinc/92/67/76/468926776.db2.gz QBSQHKZEJWQMTG-SJORKVTESA-N 1 2 332.444 2.393 20 30 EEEDLO Cc1ccc2c(c1)C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)CC2 ZINC000595657556 468942371 /nfs/dbraw/zinc/94/23/71/468942371.db2.gz NOEHSCMJWLNIIA-UHFFFAOYSA-N 1 2 341.436 2.094 20 30 EEEDLO Cc1ccc2c(c1)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)CC2 ZINC000595657556 468942375 /nfs/dbraw/zinc/94/23/75/468942375.db2.gz NOEHSCMJWLNIIA-UHFFFAOYSA-N 1 2 341.436 2.094 20 30 EEEDLO C=CCN(CCC#N)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602671433 469001040 /nfs/dbraw/zinc/00/10/40/469001040.db2.gz KSBGPMNDPWEOHJ-UHFFFAOYSA-N 1 2 329.444 2.299 20 30 EEEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000602862085 469125734 /nfs/dbraw/zinc/12/57/34/469125734.db2.gz KYNSKAVCVBQNGC-GFCCVEGCSA-N 1 2 331.807 2.415 20 30 EEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000602862009 469126409 /nfs/dbraw/zinc/12/64/09/469126409.db2.gz IMMBKNWBDCTYAM-ZFWWWQNUSA-N 1 2 329.400 2.013 20 30 EEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000602861723 469126705 /nfs/dbraw/zinc/12/67/05/469126705.db2.gz HWQFPRVBBAKYKI-GXTWGEPZSA-N 1 2 326.356 2.442 20 30 EEEDLO Cc1ccc([C@@H](CNc2c(C#N)cnn2C)[NH+]2CCOCC2)cc1 ZINC000596084607 469147787 /nfs/dbraw/zinc/14/77/87/469147787.db2.gz DBZXIUGFQWBTOR-QGZVFWFLSA-N 1 2 325.416 2.086 20 30 EEEDLO CC[C@H]1c2ccsc2CCN1C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611176140 469183631 /nfs/dbraw/zinc/18/36/31/469183631.db2.gz XBNOVPPYDALKMJ-INIZCTEOSA-N 1 2 346.500 2.115 20 30 EEEDLO CCOC(=O)c1c(NC(=O)C[C@@H](C)n2cc[nH+]c2)c(C#N)cn1CC ZINC000563225323 469206643 /nfs/dbraw/zinc/20/66/43/469206643.db2.gz HORVJQCNONXCIX-GFCCVEGCSA-N 1 2 343.387 2.343 20 30 EEEDLO Cc1cc(N(C)[C@@H]2CCCOC2)c(C#N)c(N(C)[C@@H]2CCCOC2)[nH+]1 ZINC000596231564 469215041 /nfs/dbraw/zinc/21/50/41/469215041.db2.gz QJPZYCJITNKPPL-HZPDHXFCSA-N 1 2 344.459 2.492 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000563794423 469245383 /nfs/dbraw/zinc/24/53/83/469245383.db2.gz AOPVABPROHVODT-MSOLQXFVSA-N 1 2 337.423 2.296 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000563794423 469245390 /nfs/dbraw/zinc/24/53/90/469245390.db2.gz AOPVABPROHVODT-MSOLQXFVSA-N 1 2 337.423 2.296 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1ccc(C(F)(F)F)cc1 ZINC000564216302 469251450 /nfs/dbraw/zinc/25/14/50/469251450.db2.gz SZHGEGXKWSSUFI-CQSZACIVSA-N 1 2 329.322 2.044 20 30 EEEDLO CC[N@H+](C[C@@H](O)COc1ccccc1C#N)[C@@H](C)C(=O)OC(C)(C)C ZINC000599467908 469267439 /nfs/dbraw/zinc/26/74/39/469267439.db2.gz ATBSIWGHUXYRBC-GOEBONIOSA-N 1 2 348.443 2.350 20 30 EEEDLO CC[N@@H+](C[C@@H](O)COc1ccccc1C#N)[C@@H](C)C(=O)OC(C)(C)C ZINC000599467908 469267442 /nfs/dbraw/zinc/26/74/42/469267442.db2.gz ATBSIWGHUXYRBC-GOEBONIOSA-N 1 2 348.443 2.350 20 30 EEEDLO N#C[C@@]1(F)CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000615662261 469294847 /nfs/dbraw/zinc/29/48/47/469294847.db2.gz UMUCVLDQROYWNG-WBVHZDCISA-N 1 2 333.432 2.241 20 30 EEEDLO C[C@@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@H](c2nc(C3CC3)no2)O1 ZINC000599609012 469308179 /nfs/dbraw/zinc/30/81/79/469308179.db2.gz AOQGVAFGFOUKNE-MRVWCRGKSA-N 1 2 334.420 2.010 20 30 EEEDLO C[C@@H]1C[N@@H+](C[C@H](O)CC(C)(C)C#N)C[C@H](c2nc(C3CC3)no2)O1 ZINC000599609012 469308184 /nfs/dbraw/zinc/30/81/84/469308184.db2.gz AOQGVAFGFOUKNE-MRVWCRGKSA-N 1 2 334.420 2.010 20 30 EEEDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000599697865 469342031 /nfs/dbraw/zinc/34/20/31/469342031.db2.gz BYEOIRKVRUPQBK-MRXNPFEDSA-N 1 2 339.399 2.099 20 30 EEEDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000599697865 469342034 /nfs/dbraw/zinc/34/20/34/469342034.db2.gz BYEOIRKVRUPQBK-MRXNPFEDSA-N 1 2 339.399 2.099 20 30 EEEDLO Cc1c[nH+]ccc1NC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000596816116 469368074 /nfs/dbraw/zinc/36/80/74/469368074.db2.gz GAUUYJVDGCGYPS-UHFFFAOYSA-N 1 2 327.413 2.099 20 30 EEEDLO C[C@](O)(C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C(F)(F)F ZINC000619621218 469652442 /nfs/dbraw/zinc/65/24/42/469652442.db2.gz PIPRFVNDMCQSJT-GJZGRUSLSA-N 1 2 345.340 2.321 20 30 EEEDLO N#C[C@H](c1ccccc1)N1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000609161616 469898603 /nfs/dbraw/zinc/89/86/03/469898603.db2.gz QVLUGZZSQWOZRX-GOSISDBHSA-N 1 2 337.427 2.072 20 30 EEEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC(=O)N(c2cccc(O)c2)C1=O ZINC000609432546 469927120 /nfs/dbraw/zinc/92/71/20/469927120.db2.gz YARRNYBMQOLXOK-KRWDZBQOSA-N 1 2 335.363 2.028 20 30 EEEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC(=O)N(c2cccc(O)c2)C1=O ZINC000609432546 469927125 /nfs/dbraw/zinc/92/71/25/469927125.db2.gz YARRNYBMQOLXOK-KRWDZBQOSA-N 1 2 335.363 2.028 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N(C)C2CCC(C)CC2)CC1 ZINC000609538848 469937304 /nfs/dbraw/zinc/93/73/04/469937304.db2.gz YYTUFXSXEIDOQJ-DAWZGUTISA-N 1 2 334.508 2.189 20 30 EEEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000621270215 470021986 /nfs/dbraw/zinc/02/19/86/470021986.db2.gz TUEPJTUJORIQTJ-IAGOWNOFSA-N 1 2 330.428 2.261 20 30 EEEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000621270215 470021989 /nfs/dbraw/zinc/02/19/89/470021989.db2.gz TUEPJTUJORIQTJ-IAGOWNOFSA-N 1 2 330.428 2.261 20 30 EEEDLO C=CCC(CC=C)C(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000646321054 470604465 /nfs/dbraw/zinc/60/44/65/470604465.db2.gz BQTDIOFFXCAOLM-KRWDZBQOSA-N 1 2 338.517 2.421 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2cc(F)cc(Br)c2)nn1 ZINC000641124275 485490354 /nfs/dbraw/zinc/49/03/54/485490354.db2.gz YTPJZCDROAZWCF-UHFFFAOYSA-N 1 2 337.196 2.341 20 30 EEEDLO CCC#C[C@H](C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000677479903 486440642 /nfs/dbraw/zinc/44/06/42/486440642.db2.gz QTFOAVWAXLBDAM-GOEBONIOSA-N 1 2 338.448 2.370 20 30 EEEDLO CCC#C[C@H](C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000677479903 486440646 /nfs/dbraw/zinc/44/06/46/486440646.db2.gz QTFOAVWAXLBDAM-GOEBONIOSA-N 1 2 338.448 2.370 20 30 EEEDLO C[N@H+](CCOc1ccccc1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000056672322 522916932 /nfs/dbraw/zinc/91/69/32/522916932.db2.gz YHXBUEASMUNEDM-UHFFFAOYSA-N 1 2 348.406 2.431 20 30 EEEDLO C[N@@H+](CCOc1ccccc1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000056672322 522916943 /nfs/dbraw/zinc/91/69/43/522916943.db2.gz YHXBUEASMUNEDM-UHFFFAOYSA-N 1 2 348.406 2.431 20 30 EEEDLO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000174330112 526635253 /nfs/dbraw/zinc/63/52/53/526635253.db2.gz OSRKEOJTAZAKKG-RYUDHWBXSA-N 1 2 330.388 2.087 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H](c2cccc(C)c2)[NH+]2CCOCC2)nc1 ZINC000728814231 576532496 /nfs/dbraw/zinc/53/24/96/576532496.db2.gz XTHMQPTYPZLBIN-HXUWFJFHSA-N 1 2 349.434 2.175 20 30 EEEDLO C=CC[N@@H+](CN1C(=O)N[C@@](C)(Cc2ccc(OC)cc2)C1=O)C(C)C ZINC000730252965 577011876 /nfs/dbraw/zinc/01/18/76/577011876.db2.gz OCUOHHPHNZEDEM-IBGZPJMESA-N 1 2 345.443 2.402 20 30 EEEDLO C=CC[N@H+](CN1C(=O)N[C@@](C)(Cc2ccc(OC)cc2)C1=O)C(C)C ZINC000730252965 577011878 /nfs/dbraw/zinc/01/18/78/577011878.db2.gz OCUOHHPHNZEDEM-IBGZPJMESA-N 1 2 345.443 2.402 20 30 EEEDLO C=CC[N@H+](CCCOc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000731214129 577086815 /nfs/dbraw/zinc/08/68/15/577086815.db2.gz BXFXHCCLPBBEKR-MRXNPFEDSA-N 1 2 334.441 2.002 20 30 EEEDLO C=CC[N@@H+](CCCOc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000731214129 577086818 /nfs/dbraw/zinc/08/68/18/577086818.db2.gz BXFXHCCLPBBEKR-MRXNPFEDSA-N 1 2 334.441 2.002 20 30 EEEDLO Cc1[nH+]c(-c2ccncc2)nc(NCCNc2ncccc2C#N)c1C ZINC000733299492 577221030 /nfs/dbraw/zinc/22/10/30/577221030.db2.gz GKULPMQZLBRGFL-UHFFFAOYSA-N 1 2 345.410 2.368 20 30 EEEDLO C#CCCCCC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000773382922 577338433 /nfs/dbraw/zinc/33/84/33/577338433.db2.gz LINCYITYEZKFPF-INIZCTEOSA-N 1 2 333.501 2.346 20 30 EEEDLO C#C[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@H]1CCCO1 ZINC000773558010 577350939 /nfs/dbraw/zinc/35/09/39/577350939.db2.gz LXQASOJOISTGQU-ZWKOTPCHSA-N 1 2 344.459 2.266 20 30 EEEDLO COc1ccc(C(=O)NC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000775160728 577431498 /nfs/dbraw/zinc/43/14/98/577431498.db2.gz IQKCPRVPJOZKGD-CYBMUJFWSA-N 1 2 337.379 2.174 20 30 EEEDLO C#C[C@@H](NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)[C@H]1CCCO1 ZINC000776235149 577455400 /nfs/dbraw/zinc/45/54/00/577455400.db2.gz PLZBNNPWPQKMJB-GDBMZVCRSA-N 1 2 331.416 2.029 20 30 EEEDLO N#CCc1ccccc1CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000777407589 577478297 /nfs/dbraw/zinc/47/82/97/577478297.db2.gz CHFGJXXDKNFDSP-UHFFFAOYSA-N 1 2 349.434 2.345 20 30 EEEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)C(=O)OC(C)(C)C)CC1 ZINC000764887822 577490270 /nfs/dbraw/zinc/49/02/70/577490270.db2.gz HIZMLNDFBLLONS-AWEZNQCLSA-N 1 2 343.427 2.105 20 30 EEEDLO N#Cc1ccc(C2=CC[N@H+](CN3C[C@]4(CCOC4)CC3=O)CC2)cc1 ZINC000767986649 577548693 /nfs/dbraw/zinc/54/86/93/577548693.db2.gz PERQNKXEQWDEMO-FQEVSTJZSA-N 1 2 337.423 2.244 20 30 EEEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C[C@]4(CCOC4)CC3=O)CC2)cc1 ZINC000767986649 577548694 /nfs/dbraw/zinc/54/86/94/577548694.db2.gz PERQNKXEQWDEMO-FQEVSTJZSA-N 1 2 337.423 2.244 20 30 EEEDLO COC(=O)CCC[N@@H+](Cc1ccccc1)Cn1cccc(C#N)c1=O ZINC000758238822 577619654 /nfs/dbraw/zinc/61/96/54/577619654.db2.gz KKTUKDBFRQSEDF-UHFFFAOYSA-N 1 2 339.395 2.133 20 30 EEEDLO COC(=O)CCC[N@H+](Cc1ccccc1)Cn1cccc(C#N)c1=O ZINC000758238822 577619655 /nfs/dbraw/zinc/61/96/55/577619655.db2.gz KKTUKDBFRQSEDF-UHFFFAOYSA-N 1 2 339.395 2.133 20 30 EEEDLO N#CCCN1CC[NH+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000760945547 577672655 /nfs/dbraw/zinc/67/26/55/577672655.db2.gz ZTGYNJKEMWJTSQ-HNNXBMFYSA-N 1 2 338.249 2.014 20 30 EEEDLO C=CCN1CC(=O)N(C2CC[NH+](c3ccc(OC)cc3)CC2)C1=O ZINC000761224580 577679716 /nfs/dbraw/zinc/67/97/16/577679716.db2.gz YMPCCTTUOUCEGB-UHFFFAOYSA-N 1 2 329.400 2.114 20 30 EEEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1ccc([S@@](C)=O)cc1 ZINC000761834928 577689768 /nfs/dbraw/zinc/68/97/68/577689768.db2.gz KKNJWPZNXQKDMU-XMMPIXPASA-N 1 2 340.412 2.236 20 30 EEEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1ccc([S@](C)=O)cc1 ZINC000761834924 577689843 /nfs/dbraw/zinc/68/98/43/577689843.db2.gz KKNJWPZNXQKDMU-DEOSSOPVSA-N 1 2 340.412 2.236 20 30 EEEDLO CCOc1ccc(C2N=NC(=S)N2N=Cc2c[nH+]cn2C)cc1 ZINC000755604337 577827640 /nfs/dbraw/zinc/82/76/40/577827640.db2.gz NCCSKSCARYIKGQ-UHFFFAOYSA-N 1 2 328.401 2.248 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c1C#N ZINC000756509780 577845351 /nfs/dbraw/zinc/84/53/51/577845351.db2.gz QFTYSXZXDIKESJ-MRXNPFEDSA-N 1 2 330.384 2.072 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2C2OCCO2)c1C#N ZINC000756509780 577845352 /nfs/dbraw/zinc/84/53/52/577845352.db2.gz QFTYSXZXDIKESJ-MRXNPFEDSA-N 1 2 330.384 2.072 20 30 EEEDLO COC[C@H](C(C)C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000742265627 577870283 /nfs/dbraw/zinc/87/02/83/577870283.db2.gz GSKPRSFGAYYZRB-OAHLLOKOSA-N 1 2 342.443 2.317 20 30 EEEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccccc2C(C)(C)C)CC1 ZINC000742282295 577870468 /nfs/dbraw/zinc/87/04/68/577870468.db2.gz NSMJNIGIQNBJQR-UHFFFAOYSA-N 1 2 334.485 2.314 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCCC[N@@H+]2Cc2ccon2)nc1 ZINC000969121916 674602835 /nfs/dbraw/zinc/60/28/35/674602835.db2.gz QQEXYBYHKSCACO-QGZVFWFLSA-N 1 2 338.411 2.226 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCCC[N@H+]2Cc2ccon2)nc1 ZINC000969121916 674602836 /nfs/dbraw/zinc/60/28/36/674602836.db2.gz QQEXYBYHKSCACO-QGZVFWFLSA-N 1 2 338.411 2.226 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCCC[N@@H+]2Cc2ccon2)cn1 ZINC000969122073 674603300 /nfs/dbraw/zinc/60/33/00/674603300.db2.gz WFGOWXSCBPQWMV-GOSISDBHSA-N 1 2 338.411 2.226 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCCC[N@H+]2Cc2ccon2)cn1 ZINC000969122073 674603301 /nfs/dbraw/zinc/60/33/01/674603301.db2.gz WFGOWXSCBPQWMV-GOSISDBHSA-N 1 2 338.411 2.226 20 30 EEEDLO C=CC[C@H]1CCN1C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000890555280 674767510 /nfs/dbraw/zinc/76/75/10/674767510.db2.gz HDZOQAUPCJWUGQ-INIZCTEOSA-N 1 2 330.428 2.239 20 30 EEEDLO C=CC[C@H]1CCN1C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000890555280 674767512 /nfs/dbraw/zinc/76/75/12/674767512.db2.gz HDZOQAUPCJWUGQ-INIZCTEOSA-N 1 2 330.428 2.239 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnsc3Cl)C2)cc1 ZINC001020457277 674824918 /nfs/dbraw/zinc/82/49/18/674824918.db2.gz OHWAHRFVPPVILU-JOCQHMNTSA-N 1 2 346.843 2.223 20 30 EEEDLO C[C@@H](NC(=O)c1cocn1)C1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC000969392352 674937622 /nfs/dbraw/zinc/93/76/22/674937622.db2.gz SWAZYWUMNNVLAL-CYBMUJFWSA-N 1 2 343.814 2.430 20 30 EEEDLO CCc1ocnc1C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969425292 674995757 /nfs/dbraw/zinc/99/57/57/674995757.db2.gz YGWSSESULCODTH-ZDUSSCGKSA-N 1 2 338.411 2.359 20 30 EEEDLO C[C@H](NC(=O)c1ccncc1F)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969428703 675001449 /nfs/dbraw/zinc/00/14/49/675001449.db2.gz XUAFFZKQGDHCCU-ZDUSSCGKSA-N 1 2 338.386 2.343 20 30 EEEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2cc(F)ccc2F)C1 ZINC000969526964 675089170 /nfs/dbraw/zinc/08/91/70/675089170.db2.gz SDDXZIGHHOSOBU-NSHDSACASA-N 1 2 344.365 2.415 20 30 EEEDLO Cc1ccn(C)c1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038190568 675993271 /nfs/dbraw/zinc/99/32/71/675993271.db2.gz LYVUZMQJANWUEL-ZDUSSCGKSA-N 1 2 328.441 2.271 20 30 EEEDLO Cc1ccn(C)c1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038190568 675993274 /nfs/dbraw/zinc/99/32/74/675993274.db2.gz LYVUZMQJANWUEL-ZDUSSCGKSA-N 1 2 328.441 2.271 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nn(C)c3ccccc32)C1 ZINC000970757078 676127112 /nfs/dbraw/zinc/12/71/12/676127112.db2.gz OGIAAYXFAKNDIA-LBPRGKRZSA-N 1 2 332.835 2.376 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC000970814462 676170180 /nfs/dbraw/zinc/17/01/80/676170180.db2.gz AQPVDUUQHDHSCC-AAEUAGOBSA-N 1 2 336.867 2.268 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nc3cccnc3s2)C1 ZINC000969848210 675250237 /nfs/dbraw/zinc/25/02/37/675250237.db2.gz UOBWZABKLFYRTI-JTQLQIEISA-N 1 2 336.848 2.494 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2nccc3cccnc32)C1 ZINC000969865855 675267819 /nfs/dbraw/zinc/26/78/19/675267819.db2.gz ROLNLOMOPIYVMS-LBPRGKRZSA-N 1 2 330.819 2.432 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C(F)(F)F)no2)C1 ZINC000969901378 675295352 /nfs/dbraw/zinc/29/53/52/675295352.db2.gz FECDFJDAVLGPAN-MRVPVSSYSA-N 1 2 337.729 2.496 20 30 EEEDLO COC1CC(C(=O)N[C@@H](C)C2C[NH+](Cc3ccc(C#N)cc3F)C2)C1 ZINC000969915273 675303506 /nfs/dbraw/zinc/30/35/06/675303506.db2.gz CCQTWLVHRBWLLN-VWDMACCTSA-N 1 2 345.418 2.059 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC000970207057 675705153 /nfs/dbraw/zinc/70/51/53/675705153.db2.gz QKMPOAKLBCBILY-LLVKDONJSA-N 1 2 334.807 2.472 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2cccn2C)C1 ZINC000971085465 676360890 /nfs/dbraw/zinc/36/08/90/676360890.db2.gz IHNKXIUDGJJEJL-LBPRGKRZSA-N 1 2 326.238 2.080 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2cccn2C)C1 ZINC000971085465 676360892 /nfs/dbraw/zinc/36/08/92/676360892.db2.gz IHNKXIUDGJJEJL-LBPRGKRZSA-N 1 2 326.238 2.080 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ocnc2C)C1 ZINC000971283286 676469356 /nfs/dbraw/zinc/46/93/56/676469356.db2.gz XQULQQOLRRPACE-LLVKDONJSA-N 1 2 328.210 2.038 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2ocnc2C)C1 ZINC000971283286 676469358 /nfs/dbraw/zinc/46/93/58/676469358.db2.gz XQULQQOLRRPACE-LLVKDONJSA-N 1 2 328.210 2.038 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC000971555270 676623254 /nfs/dbraw/zinc/62/32/54/676623254.db2.gz BJINWZXMNUHYIL-BBWFWOEESA-N 1 2 349.500 2.465 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2csc(C)n2)C1 ZINC000971555270 676623257 /nfs/dbraw/zinc/62/32/57/676623257.db2.gz BJINWZXMNUHYIL-BBWFWOEESA-N 1 2 349.500 2.465 20 30 EEEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)Nc1ccnn1C1CCCC1 ZINC000085260777 676795723 /nfs/dbraw/zinc/79/57/23/676795723.db2.gz MJPFQUAPQKXDPL-UHFFFAOYSA-N 1 2 341.415 2.468 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H](C)c3ncccn3)C2)cc1 ZINC000972058329 678181786 /nfs/dbraw/zinc/18/17/86/678181786.db2.gz HTRJPROQJHRTFX-MAUKXSAKSA-N 1 2 334.423 2.365 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H](C)c3ncccn3)C2)cc1 ZINC000972058329 678181790 /nfs/dbraw/zinc/18/17/90/678181790.db2.gz HTRJPROQJHRTFX-MAUKXSAKSA-N 1 2 334.423 2.365 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C(C)(C)C)nc3C)C2)C1 ZINC000972373366 678621169 /nfs/dbraw/zinc/62/11/69/678621169.db2.gz JKKBSNOPAIKAOS-IBGZPJMESA-N 1 2 346.475 2.049 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C(C)(C)C)nc3C)C2)C1 ZINC000972373366 678621172 /nfs/dbraw/zinc/62/11/72/678621172.db2.gz JKKBSNOPAIKAOS-IBGZPJMESA-N 1 2 346.475 2.049 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2noc(C)n2)C1 ZINC001022834326 678629384 /nfs/dbraw/zinc/62/93/84/678629384.db2.gz NCKOTWVHYRRAHN-VMMWWAARSA-N 1 2 348.447 2.047 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)n([C@H](C)CC)n3)C2)C1 ZINC000972443623 678752856 /nfs/dbraw/zinc/75/28/56/678752856.db2.gz KNKULVVEGSBMOE-DNVCBOLYSA-N 1 2 346.475 2.265 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)n([C@H](C)CC)n3)C2)C1 ZINC000972443623 678752858 /nfs/dbraw/zinc/75/28/58/678752858.db2.gz KNKULVVEGSBMOE-DNVCBOLYSA-N 1 2 346.475 2.265 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)oc(C)c3C)C2)C1 ZINC000972459283 678786879 /nfs/dbraw/zinc/78/68/79/678786879.db2.gz SKQPOLSBTBSXDQ-IBGZPJMESA-N 1 2 330.428 2.145 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)oc(C)c3C)C2)C1 ZINC000972459283 678786882 /nfs/dbraw/zinc/78/68/82/678786882.db2.gz SKQPOLSBTBSXDQ-IBGZPJMESA-N 1 2 330.428 2.145 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@@H]4C[C@@H]4CC3)C2)C1 ZINC000972479065 678843323 /nfs/dbraw/zinc/84/33/23/678843323.db2.gz PUJKAVXYKYJENF-FTEYMNFISA-N 1 2 330.472 2.139 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@@H]4C[C@@H]4CC3)C2)C1 ZINC000972479065 678843325 /nfs/dbraw/zinc/84/33/25/678843325.db2.gz PUJKAVXYKYJENF-FTEYMNFISA-N 1 2 330.472 2.139 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4cccnc4c3)C2)C1 ZINC000972604600 679413435 /nfs/dbraw/zinc/41/34/35/679413435.db2.gz ILCXFIHARAYUHW-HXUWFJFHSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4cccnc4c3)C2)C1 ZINC000972604600 679413438 /nfs/dbraw/zinc/41/34/38/679413438.db2.gz ILCXFIHARAYUHW-HXUWFJFHSA-N 1 2 337.423 2.338 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4ccccc43)C2)C1 ZINC000972660319 679526515 /nfs/dbraw/zinc/52/65/15/679526515.db2.gz ACAFQTUYZAGHGX-NRFANRHFSA-N 1 2 334.419 2.390 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4ccccc43)C2)C1 ZINC000972660319 679526518 /nfs/dbraw/zinc/52/65/18/679526518.db2.gz ACAFQTUYZAGHGX-NRFANRHFSA-N 1 2 334.419 2.390 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccccc3OC)C2)C1 ZINC000972666363 679545294 /nfs/dbraw/zinc/54/52/94/679545294.db2.gz DGQLDZGGPMTEKF-FQEVSTJZSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccccc3OC)C2)C1 ZINC000972666363 679545299 /nfs/dbraw/zinc/54/52/99/679545299.db2.gz DGQLDZGGPMTEKF-FQEVSTJZSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Oc3ccc(C)cc3)C2)C1 ZINC000972666822 679548656 /nfs/dbraw/zinc/54/86/56/679548656.db2.gz HZLIILIHBYVQHE-FXAWDEMLSA-N 1 2 344.455 2.252 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Oc3ccc(C)cc3)C2)C1 ZINC000972666822 679548657 /nfs/dbraw/zinc/54/86/57/679548657.db2.gz HZLIILIHBYVQHE-FXAWDEMLSA-N 1 2 344.455 2.252 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccccc3Cl)C2)C1 ZINC000972666675 679549497 /nfs/dbraw/zinc/54/94/97/679549497.db2.gz GNJIFZFMKGMJGR-IBGZPJMESA-N 1 2 346.858 2.209 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccccc3Cl)C2)C1 ZINC000972666675 679549499 /nfs/dbraw/zinc/54/94/99/679549499.db2.gz GNJIFZFMKGMJGR-IBGZPJMESA-N 1 2 346.858 2.209 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnc3n[nH]cc3c2)C(C)(C)C1 ZINC000974716464 685308467 /nfs/dbraw/zinc/30/84/67/685308467.db2.gz AINZOFUNXOERLT-ZDUSSCGKSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnc3n[nH]cc3c2)C(C)(C)C1 ZINC000974716464 685308476 /nfs/dbraw/zinc/30/84/76/685308476.db2.gz AINZOFUNXOERLT-ZDUSSCGKSA-N 1 2 333.823 2.151 20 30 EEEDLO C[C@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000982826471 681339486 /nfs/dbraw/zinc/33/94/86/681339486.db2.gz NIVAQZGOPJKFEG-RHSMWYFYSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000982826471 681339488 /nfs/dbraw/zinc/33/94/88/681339488.db2.gz NIVAQZGOPJKFEG-RHSMWYFYSA-N 1 2 345.418 2.157 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccncn1 ZINC001024718581 681380570 /nfs/dbraw/zinc/38/05/70/681380570.db2.gz WNNWOGUCZXGBPS-QGZVFWFLSA-N 1 2 335.411 2.133 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccncn1 ZINC001024718581 681380575 /nfs/dbraw/zinc/38/05/75/681380575.db2.gz WNNWOGUCZXGBPS-QGZVFWFLSA-N 1 2 335.411 2.133 20 30 EEEDLO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001024741802 681403226 /nfs/dbraw/zinc/40/32/26/681403226.db2.gz AAECBQWINBQSEN-MRXNPFEDSA-N 1 2 325.416 2.242 20 30 EEEDLO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001024741802 681403228 /nfs/dbraw/zinc/40/32/28/681403228.db2.gz AAECBQWINBQSEN-MRXNPFEDSA-N 1 2 325.416 2.242 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(C2CCCC2)no1 ZINC001024902735 681563011 /nfs/dbraw/zinc/56/30/11/681563011.db2.gz ZEELDUHXRPQGKQ-UKRRQHHQSA-N 1 2 345.447 2.358 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N2CCCC[C@@H]2[C@H]2CCCN2CC#N)c[nH+]1 ZINC001025245118 682324141 /nfs/dbraw/zinc/32/41/41/682324141.db2.gz ZZMWNQYKDDNLKV-IAGOWNOFSA-N 1 2 343.475 2.296 20 30 EEEDLO N#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001025250901 682328873 /nfs/dbraw/zinc/32/88/73/682328873.db2.gz ONNOSZNLIULPPB-HOTGVXAUSA-N 1 2 337.427 2.317 20 30 EEEDLO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1=NC(=O)N(C)C1 ZINC001025266109 682350592 /nfs/dbraw/zinc/35/05/92/682350592.db2.gz IYWKCAHYAQZFJI-JKSUJKDBSA-N 1 2 332.448 2.161 20 30 EEEDLO C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1=NC(=O)N(C)C1 ZINC001025266109 682350593 /nfs/dbraw/zinc/35/05/93/682350593.db2.gz IYWKCAHYAQZFJI-JKSUJKDBSA-N 1 2 332.448 2.161 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H](NC(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC000973449788 682631510 /nfs/dbraw/zinc/63/15/10/682631510.db2.gz HWLNLGROLKBXJM-HDJSIYSDSA-N 1 2 338.411 2.068 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cnn(C)c2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993023983 683761832 /nfs/dbraw/zinc/76/18/32/683761832.db2.gz OOLWFVOCAYEOIE-KBXCAEBGSA-N 1 2 337.427 2.075 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cnn(C)c2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993023983 683761836 /nfs/dbraw/zinc/76/18/36/683761836.db2.gz OOLWFVOCAYEOIE-KBXCAEBGSA-N 1 2 337.427 2.075 20 30 EEEDLO COc1cc(C[NH2+][C@@H]2CCCN(O)C2=O)c(F)cc1Br ZINC000895156236 684141982 /nfs/dbraw/zinc/14/19/82/684141982.db2.gz BERHSMNDMCZFCR-LLVKDONJSA-N 1 2 347.184 2.067 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ocnc2C)cc1 ZINC001029416395 684410564 /nfs/dbraw/zinc/41/05/64/684410564.db2.gz ILXGDTGMGUEJNI-HDICACEKSA-N 1 2 335.407 2.453 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ocnc2C)cc1 ZINC001029416395 684410567 /nfs/dbraw/zinc/41/05/67/684410567.db2.gz ILXGDTGMGUEJNI-HDICACEKSA-N 1 2 335.407 2.453 20 30 EEEDLO Cc1nocc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001029447748 684657140 /nfs/dbraw/zinc/65/71/40/684657140.db2.gz JGOABPRDQDNDMW-CALCHBBNSA-N 1 2 336.395 2.344 20 30 EEEDLO Cc1nocc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001029447748 684657143 /nfs/dbraw/zinc/65/71/43/684657143.db2.gz JGOABPRDQDNDMW-CALCHBBNSA-N 1 2 336.395 2.344 20 30 EEEDLO CC[C@H](C[NH+]1CCOCC1)Nc1ncc(Br)cc1C#N ZINC000895798605 684729479 /nfs/dbraw/zinc/72/94/79/684729479.db2.gz IMGNZQQEEZUAPT-CYBMUJFWSA-N 1 2 339.237 2.238 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000054229839 685037530 /nfs/dbraw/zinc/03/75/30/685037530.db2.gz CUNRAPWDYVGONN-CYBMUJFWSA-N 1 2 339.395 2.310 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2scnc2C(F)(F)F)C(C)(C)C1 ZINC000974671160 685195162 /nfs/dbraw/zinc/19/51/62/685195162.db2.gz AUXXWDDCGJHELH-SECBINFHSA-N 1 2 331.363 2.235 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2scnc2C(F)(F)F)C(C)(C)C1 ZINC000974671160 685195165 /nfs/dbraw/zinc/19/51/65/685195165.db2.gz AUXXWDDCGJHELH-SECBINFHSA-N 1 2 331.363 2.235 20 30 EEEDLO C=CCCCC(=O)NCC[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001060094939 693964105 /nfs/dbraw/zinc/96/41/05/693964105.db2.gz QACDIKARAGYDDU-INIZCTEOSA-N 1 2 346.475 2.064 20 30 EEEDLO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1cscn1 ZINC000947215996 686921162 /nfs/dbraw/zinc/92/11/62/686921162.db2.gz CPXBZTNJSCBUII-NWDGAFQWSA-N 1 2 329.429 2.126 20 30 EEEDLO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1cscn1 ZINC000947215996 686921165 /nfs/dbraw/zinc/92/11/65/686921165.db2.gz CPXBZTNJSCBUII-NWDGAFQWSA-N 1 2 329.429 2.126 20 30 EEEDLO CC(C)c1nnc(C[N@H+](C)C[C@@H]2CCN(C(=O)C#CC3CC3)C2)s1 ZINC001029733487 686942627 /nfs/dbraw/zinc/94/26/27/686942627.db2.gz KRIVDHRGUVREIP-HNNXBMFYSA-N 1 2 346.500 2.355 20 30 EEEDLO CC(C)c1nnc(C[N@@H+](C)C[C@@H]2CCN(C(=O)C#CC3CC3)C2)s1 ZINC001029733487 686942630 /nfs/dbraw/zinc/94/26/30/686942630.db2.gz KRIVDHRGUVREIP-HNNXBMFYSA-N 1 2 346.500 2.355 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2nnc(C3CC3)[nH]2)C1 ZINC001029801735 687127658 /nfs/dbraw/zinc/12/76/58/687127658.db2.gz QDMMAGIUSIWPDX-CYBMUJFWSA-N 1 2 331.464 2.175 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](C[N@H+](C)Cc2nnc(C3CC3)[nH]2)C1 ZINC001029801735 687127659 /nfs/dbraw/zinc/12/76/59/687127659.db2.gz QDMMAGIUSIWPDX-CYBMUJFWSA-N 1 2 331.464 2.175 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C(=O)NC)cc2)c1 ZINC000066872164 687449344 /nfs/dbraw/zinc/44/93/44/687449344.db2.gz WJBLFBVFVMOTAE-UHFFFAOYSA-N 1 2 335.407 2.098 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C(=O)NC)cc2)c1 ZINC000066872164 687449346 /nfs/dbraw/zinc/44/93/46/687449346.db2.gz WJBLFBVFVMOTAE-UHFFFAOYSA-N 1 2 335.407 2.098 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ncnn3CC)[C@@H](C)C2)C1 ZINC000947702552 687539951 /nfs/dbraw/zinc/53/99/51/687539951.db2.gz PNDVDBJMRKMMMH-LSDHHAIUSA-N 1 2 331.464 2.123 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3ncnn3CC)[C@@H](C)C2)C1 ZINC000947702552 687539953 /nfs/dbraw/zinc/53/99/53/687539953.db2.gz PNDVDBJMRKMMMH-LSDHHAIUSA-N 1 2 331.464 2.123 20 30 EEEDLO CCc1cnc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001027355305 687667981 /nfs/dbraw/zinc/66/79/81/687667981.db2.gz SQEFDZSWLPNSMO-CQSZACIVSA-N 1 2 341.415 2.173 20 30 EEEDLO CCc1cnc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001027355305 687667982 /nfs/dbraw/zinc/66/79/82/687667982.db2.gz SQEFDZSWLPNSMO-CQSZACIVSA-N 1 2 341.415 2.173 20 30 EEEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H](c3ccnn3C)C2)cc1 ZINC000897557862 691608123 /nfs/dbraw/zinc/60/81/23/691608123.db2.gz CCOPYCMVYDKIMK-KDOFPFPSSA-N 1 2 326.400 2.284 20 30 EEEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H](c3ccnn3C)C2)cc1 ZINC000897557862 691608126 /nfs/dbraw/zinc/60/81/26/691608126.db2.gz CCOPYCMVYDKIMK-KDOFPFPSSA-N 1 2 326.400 2.284 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]([NH2+]Cc3nc(COC)no3)C[C@H]2C)CC1 ZINC000989397721 691672167 /nfs/dbraw/zinc/67/21/67/691672167.db2.gz BWGYELKVCCEUPW-UKRRQHHQSA-N 1 2 348.447 2.041 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCC[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001060002114 692479324 /nfs/dbraw/zinc/47/93/24/692479324.db2.gz NSXHCUIONKXGDO-IAGOWNOFSA-N 1 2 346.475 2.230 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000977924550 693146296 /nfs/dbraw/zinc/14/62/96/693146296.db2.gz UKFHRIXGQDMRGN-RBSFLKMASA-N 1 2 344.459 2.175 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000977924550 693146298 /nfs/dbraw/zinc/14/62/98/693146298.db2.gz UKFHRIXGQDMRGN-RBSFLKMASA-N 1 2 344.459 2.175 20 30 EEEDLO C=C(C)CN1CC2(C[NH+](Cc3c[nH]c4c3cccc4C)C2)OCC1=O ZINC001272729015 1192369508 /nfs/dbraw/zinc/36/95/08/1192369508.db2.gz MYRVNXJNBKHHBB-UHFFFAOYSA-N 1 2 339.439 2.466 20 30 EEEDLO C[N@H+](CCNC(=O)c1ccc(F)cn1)Cc1cc(C#N)ccc1F ZINC001480856496 1176009573 /nfs/dbraw/zinc/00/95/73/1176009573.db2.gz DWPRCHSUMPBHIL-UHFFFAOYSA-N 1 2 330.338 2.093 20 30 EEEDLO C[N@@H+](CCNC(=O)c1ccc(F)cn1)Cc1cc(C#N)ccc1F ZINC001480856496 1176009580 /nfs/dbraw/zinc/00/95/80/1176009580.db2.gz DWPRCHSUMPBHIL-UHFFFAOYSA-N 1 2 330.338 2.093 20 30 EEEDLO C=CCC1(C(=O)N(C)C2C[NH+](CCOCC(C)C)C2)CCOCC1 ZINC001754586656 1178838130 /nfs/dbraw/zinc/83/81/30/1178838130.db2.gz VEKZLYXGTUCFMQ-UHFFFAOYSA-N 1 2 338.492 2.175 20 30 EEEDLO CC(C)c1ncncc1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001032192089 1192944815 /nfs/dbraw/zinc/94/48/15/1192944815.db2.gz XXPYJRMYMOZKLT-UHFFFAOYSA-N 1 2 348.450 2.313 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)c2scc(C)c2Cl)C1 ZINC001754856537 1179424372 /nfs/dbraw/zinc/42/43/72/1179424372.db2.gz MIUAQLNNHPEHOI-MRXNPFEDSA-N 1 2 340.876 2.290 20 30 EEEDLO CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)c2scc(C)c2Cl)C1 ZINC001754856537 1179424374 /nfs/dbraw/zinc/42/43/74/1179424374.db2.gz MIUAQLNNHPEHOI-MRXNPFEDSA-N 1 2 340.876 2.290 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C)NC(=O)c1cccs1 ZINC001480990785 1179440917 /nfs/dbraw/zinc/44/09/17/1179440917.db2.gz DEBJCENTVYHWOC-LBPRGKRZSA-N 1 2 343.880 2.057 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C)NC(=O)c1cccs1 ZINC001480990785 1179440918 /nfs/dbraw/zinc/44/09/18/1179440918.db2.gz DEBJCENTVYHWOC-LBPRGKRZSA-N 1 2 343.880 2.057 20 30 EEEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1cc(C)n[nH]1 ZINC001481131871 1179868575 /nfs/dbraw/zinc/86/85/75/1179868575.db2.gz UOPBFSFXMXLXMB-UHFFFAOYSA-N 1 2 329.242 2.069 20 30 EEEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1cc(C)n[nH]1 ZINC001481131871 1179868585 /nfs/dbraw/zinc/86/85/85/1179868585.db2.gz UOPBFSFXMXLXMB-UHFFFAOYSA-N 1 2 329.242 2.069 20 30 EEEDLO Cc1cnc(C(=O)NCC[N@H+](Cc2ccccc2C#N)C2CC2)cn1 ZINC001481158665 1179949264 /nfs/dbraw/zinc/94/92/64/1179949264.db2.gz VNTMVZZRIBZEQY-UHFFFAOYSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1cnc(C(=O)NCC[N@@H+](Cc2ccccc2C#N)C2CC2)cn1 ZINC001481158665 1179949269 /nfs/dbraw/zinc/94/92/69/1179949269.db2.gz VNTMVZZRIBZEQY-UHFFFAOYSA-N 1 2 335.411 2.051 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc(OC)c(OC)cc2C)C1 ZINC001032199850 1193029296 /nfs/dbraw/zinc/02/92/96/1193029296.db2.gz CJQBSLSARUESKC-UHFFFAOYSA-N 1 2 338.835 2.426 20 30 EEEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)CCC2(C)CC2)CC1 ZINC001481472019 1181498894 /nfs/dbraw/zinc/49/88/94/1181498894.db2.gz GJDJDTWQOVKIFJ-UHFFFAOYSA-N 1 2 327.900 2.395 20 30 EEEDLO CCn1ccnc1C[N@@H+]1CCC2(CN(C(=O)c3ccccc3C#N)C2)C1 ZINC001270804723 1185403630 /nfs/dbraw/zinc/40/36/30/1185403630.db2.gz UCJULGJQWCMUIC-UHFFFAOYSA-N 1 2 349.438 2.123 20 30 EEEDLO CCn1ccnc1C[N@H+]1CCC2(CN(C(=O)c3ccccc3C#N)C2)C1 ZINC001270804723 1185403632 /nfs/dbraw/zinc/40/36/32/1185403632.db2.gz UCJULGJQWCMUIC-UHFFFAOYSA-N 1 2 349.438 2.123 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N(C)CCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001105421917 1186703879 /nfs/dbraw/zinc/70/38/79/1186703879.db2.gz HVXDTAVQXUAEPV-AWEZNQCLSA-N 1 2 332.448 2.148 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@@H](C)CC(C)(C)C)C2)nn1 ZINC001098739139 1186914424 /nfs/dbraw/zinc/91/44/24/1186914424.db2.gz DHEVVYZPBHEXGE-WBVHZDCISA-N 1 2 345.491 2.237 20 30 EEEDLO Cc1nnsc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088464935 1186959875 /nfs/dbraw/zinc/95/98/75/1186959875.db2.gz YQJPOORSFFLMFX-MFKMUULPSA-N 1 2 347.469 2.173 20 30 EEEDLO Cc1nnsc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088464935 1186959879 /nfs/dbraw/zinc/95/98/79/1186959879.db2.gz YQJPOORSFFLMFX-MFKMUULPSA-N 1 2 347.469 2.173 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Br)cn1 ZINC001272750211 1193469309 /nfs/dbraw/zinc/46/93/09/1193469309.db2.gz WNKFZMOSUGKDPB-HUUCEWRRSA-N 1 2 348.244 2.043 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Br)cn1 ZINC001272750211 1193469311 /nfs/dbraw/zinc/46/93/11/1193469311.db2.gz WNKFZMOSUGKDPB-HUUCEWRRSA-N 1 2 348.244 2.043 20 30 EEEDLO Cc1ccc(F)cc1C[N@@H+]1CCO[C@](C)(CNC(=O)C#CC2CC2)C1 ZINC001107932173 1193478662 /nfs/dbraw/zinc/47/86/62/1193478662.db2.gz HGEVEVRNCUMWDL-HXUWFJFHSA-N 1 2 344.430 2.255 20 30 EEEDLO Cc1ccc(F)cc1C[N@H+]1CCO[C@](C)(CNC(=O)C#CC2CC2)C1 ZINC001107932173 1193478665 /nfs/dbraw/zinc/47/86/65/1193478665.db2.gz HGEVEVRNCUMWDL-HXUWFJFHSA-N 1 2 344.430 2.255 20 30 EEEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)/C=C\C(C)(C)C ZINC001212047538 1187640853 /nfs/dbraw/zinc/64/08/53/1187640853.db2.gz KLKHZXAYAOADMK-QKXOAMIZSA-N 1 2 340.467 2.456 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)/C=C\C(C)(C)C ZINC001212047538 1187640854 /nfs/dbraw/zinc/64/08/54/1187640854.db2.gz KLKHZXAYAOADMK-QKXOAMIZSA-N 1 2 340.467 2.456 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3[nH]c(=O)[nH]c32)[C@H]1C ZINC001088629772 1188016312 /nfs/dbraw/zinc/01/63/12/1188016312.db2.gz QJQQJRCCSCAPMI-PWSUYJOCSA-N 1 2 334.807 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH]c(=O)[nH]c32)[C@H]1C ZINC001088629772 1188016315 /nfs/dbraw/zinc/01/63/15/1188016315.db2.gz QJQQJRCCSCAPMI-PWSUYJOCSA-N 1 2 334.807 2.214 20 30 EEEDLO C[C@H](CC(=O)N1CCCC[C@@H]1C1(CNCC#N)CCC1)n1cc[nH+]c1 ZINC001105566706 1188180516 /nfs/dbraw/zinc/18/05/16/1188180516.db2.gz SHLZVKUIYDXKTD-IAGOWNOFSA-N 1 2 343.475 2.499 20 30 EEEDLO C#CCOc1ccc(C(=O)N(C)CCN(C)c2cc[nH+]c(C)n2)cc1 ZINC001105575495 1188189567 /nfs/dbraw/zinc/18/95/67/1188189567.db2.gz FNEXBVHNWJERQX-UHFFFAOYSA-N 1 2 338.411 2.005 20 30 EEEDLO CCN(C(=O)CSCC#N)[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001126791322 1188280480 /nfs/dbraw/zinc/28/04/80/1188280480.db2.gz MZVICCOIVIOFBF-HNNXBMFYSA-N 1 2 347.488 2.249 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2nc3ccccc3s2)C1=O ZINC001272849157 1193576036 /nfs/dbraw/zinc/57/60/36/1193576036.db2.gz XXSSKQSBCQPMIJ-SFHVURJKSA-N 1 2 325.437 2.496 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2nc3ccccc3s2)C1=O ZINC001272849157 1193576037 /nfs/dbraw/zinc/57/60/37/1193576037.db2.gz XXSSKQSBCQPMIJ-SFHVURJKSA-N 1 2 325.437 2.496 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4nccs4)C[C@H]32)cc1 ZINC001076117227 1188727572 /nfs/dbraw/zinc/72/75/72/1188727572.db2.gz HKWCAMJGHDRCPY-DLBZAZTESA-N 1 2 337.448 2.471 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4nccs4)C[C@H]32)cc1 ZINC001076117227 1188727577 /nfs/dbraw/zinc/72/75/77/1188727577.db2.gz HKWCAMJGHDRCPY-DLBZAZTESA-N 1 2 337.448 2.471 20 30 EEEDLO C#CCCCC(=O)NCC[C@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001076296424 1188837602 /nfs/dbraw/zinc/83/76/02/1188837602.db2.gz DJVWKCCNUKUICL-IRXDYDNUSA-N 1 2 346.475 2.285 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001076547338 1188988947 /nfs/dbraw/zinc/98/89/47/1188988947.db2.gz QLKRPVDYKDLWEY-IRXDYDNUSA-N 1 2 346.475 2.429 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001076683642 1189104445 /nfs/dbraw/zinc/10/44/45/1189104445.db2.gz DPVBZYWNTVHYCC-LBPRGKRZSA-N 1 2 340.855 2.063 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001076683978 1189104663 /nfs/dbraw/zinc/10/46/63/1189104663.db2.gz SSMYAMNAETXFMG-NSHDSACASA-N 1 2 340.855 2.132 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001076683978 1189104666 /nfs/dbraw/zinc/10/46/66/1189104666.db2.gz SSMYAMNAETXFMG-NSHDSACASA-N 1 2 340.855 2.132 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H](C)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001077147809 1189358938 /nfs/dbraw/zinc/35/89/38/1189358938.db2.gz INRBROZCEVOEFH-LSDHHAIUSA-N 1 2 347.459 2.246 20 30 EEEDLO C=CCC1(C(=O)NCC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001077309402 1189460791 /nfs/dbraw/zinc/46/07/91/1189460791.db2.gz PHNNEBIDGVKYBS-AWEZNQCLSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](Cc3cc(C)ccc3O)C[C@@]2(F)C1=O ZINC001272622446 1190935880 /nfs/dbraw/zinc/93/58/80/1190935880.db2.gz JPOSBVDWAAWOQG-ZWKOTPCHSA-N 1 2 336.382 2.351 20 30 EEEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](Cc3cc(C)ccc3O)C[C@@]2(F)C1=O ZINC001272622446 1190935882 /nfs/dbraw/zinc/93/58/82/1190935882.db2.gz JPOSBVDWAAWOQG-ZWKOTPCHSA-N 1 2 336.382 2.351 20 30 EEEDLO Cc1ccc([C@H](C)CC[NH+]2CC3(C2)CN(CCCC#N)C(=O)CO3)o1 ZINC001273125962 1194408779 /nfs/dbraw/zinc/40/87/79/1194408779.db2.gz SAXWAMYCHGVYOY-OAHLLOKOSA-N 1 2 345.443 2.299 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC001033471192 1194611844 /nfs/dbraw/zinc/61/18/44/1194611844.db2.gz CTGRERKJZKJMDP-ZBFHGGJFSA-N 1 2 338.810 2.414 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC001033471192 1194611846 /nfs/dbraw/zinc/61/18/46/1194611846.db2.gz CTGRERKJZKJMDP-ZBFHGGJFSA-N 1 2 338.810 2.414 20 30 EEEDLO CN(C(=O)[C@@H]1CCOC1)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001005158146 1194628501 /nfs/dbraw/zinc/62/85/01/1194628501.db2.gz BWUPEYHSGVOAPF-OAHLLOKOSA-N 1 2 345.418 2.157 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCOC2)CC1 ZINC001005174289 1194654622 /nfs/dbraw/zinc/65/46/22/1194654622.db2.gz KBMXMAMLSZYMMA-CYBMUJFWSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CCCOC2)C1 ZINC001033547439 1194698399 /nfs/dbraw/zinc/69/83/99/1194698399.db2.gz ZZJMKYPZLDVLKP-DZGCQCFKSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CCCOC2)C1 ZINC001033547439 1194698402 /nfs/dbraw/zinc/69/84/02/1194698402.db2.gz ZZJMKYPZLDVLKP-DZGCQCFKSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001033670435 1195037118 /nfs/dbraw/zinc/03/71/18/1195037118.db2.gz BXVQGZFCLWTVAU-ZFWWWQNUSA-N 1 2 338.810 2.414 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001033670435 1195037122 /nfs/dbraw/zinc/03/71/22/1195037122.db2.gz BXVQGZFCLWTVAU-ZFWWWQNUSA-N 1 2 338.810 2.414 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]2C)C1 ZINC001005266406 1195048145 /nfs/dbraw/zinc/04/81/45/1195048145.db2.gz KBIKKAAAYNYOAB-ZBFHGGJFSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]2C)C1 ZINC001005266406 1195048149 /nfs/dbraw/zinc/04/81/49/1195048149.db2.gz KBIKKAAAYNYOAB-ZBFHGGJFSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc[nH]2)C1 ZINC001033751692 1195176218 /nfs/dbraw/zinc/17/62/18/1195176218.db2.gz GEDADMDYFKIEAK-LBPRGKRZSA-N 1 2 326.238 2.460 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc[nH]2)C1 ZINC001033751692 1195176219 /nfs/dbraw/zinc/17/62/19/1195176219.db2.gz GEDADMDYFKIEAK-LBPRGKRZSA-N 1 2 326.238 2.460 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cn(C3CCC3)nn2)C1 ZINC001033831868 1195345384 /nfs/dbraw/zinc/34/53/84/1195345384.db2.gz ZZNJMSPOJYSIIG-AWEZNQCLSA-N 1 2 337.855 2.292 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cn(C3CCC3)nn2)C1 ZINC001033831868 1195345390 /nfs/dbraw/zinc/34/53/90/1195345390.db2.gz ZZNJMSPOJYSIIG-AWEZNQCLSA-N 1 2 337.855 2.292 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)C2CCOCC2)C1 ZINC001034075960 1195728075 /nfs/dbraw/zinc/72/80/75/1195728075.db2.gz GZGFQGBGDUGTTM-AWEZNQCLSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)C2CCOCC2)C1 ZINC001034075960 1195728080 /nfs/dbraw/zinc/72/80/80/1195728080.db2.gz GZGFQGBGDUGTTM-AWEZNQCLSA-N 1 2 345.281 2.292 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](Cc3ccn(C)n3)C2)cc1 ZINC001034338291 1196110230 /nfs/dbraw/zinc/11/02/30/1196110230.db2.gz CBUHIFIZPYYJHB-SFHVURJKSA-N 1 2 336.439 2.186 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](Cc3ccn(C)n3)C2)cc1 ZINC001034338291 1196110231 /nfs/dbraw/zinc/11/02/31/1196110231.db2.gz CBUHIFIZPYYJHB-SFHVURJKSA-N 1 2 336.439 2.186 20 30 EEEDLO COCc1cncc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)c1 ZINC001014779847 1224337924 /nfs/dbraw/zinc/33/79/24/1224337924.db2.gz OCKONYRJQPEJMH-HXUWFJFHSA-N 1 2 349.434 2.084 20 30 EEEDLO COCc1cncc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC001014779847 1224337934 /nfs/dbraw/zinc/33/79/34/1224337934.db2.gz OCKONYRJQPEJMH-HXUWFJFHSA-N 1 2 349.434 2.084 20 30 EEEDLO C[N@@H+]1CCO[C@@H](COc2cc(F)c(C#N)cc2Br)C1 ZINC001229889673 1196568834 /nfs/dbraw/zinc/56/88/34/1196568834.db2.gz GMTWUPGYFOHPTO-SNVBAGLBSA-N 1 2 329.169 2.169 20 30 EEEDLO C[N@H+]1CCO[C@@H](COc2cc(F)c(C#N)cc2Br)C1 ZINC001229889673 1196568836 /nfs/dbraw/zinc/56/88/36/1196568836.db2.gz GMTWUPGYFOHPTO-SNVBAGLBSA-N 1 2 329.169 2.169 20 30 EEEDLO C=CCCOCC(=O)N1C[C@@H](C)[C@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001090256905 1196652891 /nfs/dbraw/zinc/65/28/91/1196652891.db2.gz YTQGXRIISQLZNJ-RDTXWAMCSA-N 1 2 332.448 2.274 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@H](C)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001067220167 1224377681 /nfs/dbraw/zinc/37/76/81/1224377681.db2.gz QFPXQJISBZQGSH-DZGCQCFKSA-N 1 2 325.416 2.345 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1OCC(C)C ZINC001018186995 1224440906 /nfs/dbraw/zinc/44/09/06/1224440906.db2.gz JPNGLUCCLPFAHB-CALCHBBNSA-N 1 2 341.455 2.429 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1OCC(C)C ZINC001018186995 1224440909 /nfs/dbraw/zinc/44/09/09/1224440909.db2.gz JPNGLUCCLPFAHB-CALCHBBNSA-N 1 2 341.455 2.429 20 30 EEEDLO C[C@@H]1C[N@@H+](CCN(C)c2cc(F)c(C#N)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000865736528 1198352994 /nfs/dbraw/zinc/35/29/94/1198352994.db2.gz IZSFWEXDTGFAAF-TXEJJXNPSA-N 1 2 336.367 2.151 20 30 EEEDLO C[C@@H]1C[N@H+](CCN(C)c2cc(F)c(C#N)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000865736528 1198352999 /nfs/dbraw/zinc/35/29/99/1198352999.db2.gz IZSFWEXDTGFAAF-TXEJJXNPSA-N 1 2 336.367 2.151 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC001018223862 1224489874 /nfs/dbraw/zinc/48/98/74/1224489874.db2.gz DJWRNUJXVQRDAQ-GNGRWXFLSA-N 1 2 326.415 2.365 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC001018223862 1224489879 /nfs/dbraw/zinc/48/98/79/1224489879.db2.gz DJWRNUJXVQRDAQ-GNGRWXFLSA-N 1 2 326.415 2.365 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc2c(c1)CCC2 ZINC001018239493 1224511386 /nfs/dbraw/zinc/51/13/86/1224511386.db2.gz RAQZTZXJQDSTKA-KDURUIRLSA-N 1 2 338.451 2.253 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc2c(c1)CCC2 ZINC001018239493 1224511393 /nfs/dbraw/zinc/51/13/93/1224511393.db2.gz RAQZTZXJQDSTKA-KDURUIRLSA-N 1 2 338.451 2.253 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2C(C)C)[C@@H](O)C1 ZINC001090511642 1199116984 /nfs/dbraw/zinc/11/69/84/1199116984.db2.gz VUGOJXOWENKUEZ-KBPBESRZSA-N 1 2 325.840 2.056 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2C(C)C)[C@@H](O)C1 ZINC001090511642 1199116986 /nfs/dbraw/zinc/11/69/86/1199116986.db2.gz VUGOJXOWENKUEZ-KBPBESRZSA-N 1 2 325.840 2.056 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC001132001897 1199188644 /nfs/dbraw/zinc/18/86/44/1199188644.db2.gz FCNINSYQGMBCLK-WMZOPIPTSA-N 1 2 341.455 2.398 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccccc2)C1 ZINC001132001897 1199188645 /nfs/dbraw/zinc/18/86/45/1199188645.db2.gz FCNINSYQGMBCLK-WMZOPIPTSA-N 1 2 341.455 2.398 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2c(C)oc(C)c2C)CC[C@H]1C ZINC001132161115 1199396456 /nfs/dbraw/zinc/39/64/56/1199396456.db2.gz XFGPFOUFPKXCOL-MLGOLLRUSA-N 1 2 347.459 2.090 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2c(C)oc(C)c2C)CC[C@H]1C ZINC001132161115 1199396461 /nfs/dbraw/zinc/39/64/61/1199396461.db2.gz XFGPFOUFPKXCOL-MLGOLLRUSA-N 1 2 347.459 2.090 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cncc(OC)n2)C1 ZINC001132227230 1199466776 /nfs/dbraw/zinc/46/67/76/1199466776.db2.gz AYPPDNBNKOBLNS-KGLIPLIRSA-N 1 2 332.448 2.167 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cncc(OC)n2)C1 ZINC001132227230 1199466780 /nfs/dbraw/zinc/46/67/80/1199466780.db2.gz AYPPDNBNKOBLNS-KGLIPLIRSA-N 1 2 332.448 2.167 20 30 EEEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2noc(-c3ccccc3)n2)cc1 ZINC001132226768 1199467067 /nfs/dbraw/zinc/46/70/67/1199467067.db2.gz NWKUFBGWMVCVGB-UHFFFAOYSA-N 1 2 346.390 2.238 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCc2ccco2)C1 ZINC001132257065 1199496609 /nfs/dbraw/zinc/49/66/09/1199496609.db2.gz SWHAJGARCKCZIV-HOTGVXAUSA-N 1 2 347.459 2.221 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NCc2ccco2)C1 ZINC001132257065 1199496610 /nfs/dbraw/zinc/49/66/10/1199496610.db2.gz SWHAJGARCKCZIV-HOTGVXAUSA-N 1 2 347.459 2.221 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)NCCC)C2)CC1 ZINC001132279540 1199529870 /nfs/dbraw/zinc/52/98/70/1199529870.db2.gz YHZNBQWFEXMGSR-HOTGVXAUSA-N 1 2 335.492 2.228 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)NCCC)C2)CC1 ZINC001132279540 1199529873 /nfs/dbraw/zinc/52/98/73/1199529873.db2.gz YHZNBQWFEXMGSR-HOTGVXAUSA-N 1 2 335.492 2.228 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(CF)CCOCC2)CC[C@@H]1C ZINC001132309672 1199559133 /nfs/dbraw/zinc/55/91/33/1199559133.db2.gz BDDKVAGYYIFTLI-KBPBESRZSA-N 1 2 332.847 2.474 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(CF)CCOCC2)CC[C@@H]1C ZINC001132309672 1199559137 /nfs/dbraw/zinc/55/91/37/1199559137.db2.gz BDDKVAGYYIFTLI-KBPBESRZSA-N 1 2 332.847 2.474 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cc2c[nH]ccc-2n1 ZINC001014941048 1224561316 /nfs/dbraw/zinc/56/13/16/1224561316.db2.gz MCTKKHPENAFGGF-GOSISDBHSA-N 1 2 344.418 2.419 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cc2c[nH]ccc-2n1 ZINC001014941048 1224561317 /nfs/dbraw/zinc/56/13/17/1224561317.db2.gz MCTKKHPENAFGGF-GOSISDBHSA-N 1 2 344.418 2.419 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2ccccc2Cl)CC[C@H]1C ZINC001132434200 1199703518 /nfs/dbraw/zinc/70/35/18/1199703518.db2.gz UZZWQWFWSKPVPT-KGLIPLIRSA-N 1 2 349.862 2.225 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2Cl)CC[C@H]1C ZINC001132434200 1199703519 /nfs/dbraw/zinc/70/35/19/1199703519.db2.gz UZZWQWFWSKPVPT-KGLIPLIRSA-N 1 2 349.862 2.225 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCC(=O)N(CC)CC)CC[C@H]1C ZINC001132505876 1199806784 /nfs/dbraw/zinc/80/67/84/1199806784.db2.gz VWODPCDOCKCNPE-HUUCEWRRSA-N 1 2 343.899 2.357 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCC(=O)N(CC)CC)CC[C@H]1C ZINC001132505876 1199806788 /nfs/dbraw/zinc/80/67/88/1199806788.db2.gz VWODPCDOCKCNPE-HUUCEWRRSA-N 1 2 343.899 2.357 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)n1C ZINC000877745491 1200067946 /nfs/dbraw/zinc/06/79/46/1200067946.db2.gz XOKPPBIXDNIGIP-UHFFFAOYSA-N 1 2 338.411 2.006 20 30 EEEDLO N#Cc1cc(F)ccc1N1CC[NH+](Cc2cnn(CC(F)F)c2)CC1 ZINC000877746480 1200070023 /nfs/dbraw/zinc/07/00/23/1200070023.db2.gz AMTUPLRVNGBLHH-UHFFFAOYSA-N 1 2 349.360 2.481 20 30 EEEDLO Cc1cccc(NC(=S)N[NH+]=Cc2cnc(N(C)C)n2C)c1C ZINC000811630673 1200174790 /nfs/dbraw/zinc/17/47/90/1200174790.db2.gz BMOGZJDKYFIBDF-UHFFFAOYSA-N 1 2 330.461 2.423 20 30 EEEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000812021001 1200454249 /nfs/dbraw/zinc/45/42/49/1200454249.db2.gz QLNWHJIXGVLKMQ-BBRMVZONSA-N 1 2 335.835 2.034 20 30 EEEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000812021001 1200454251 /nfs/dbraw/zinc/45/42/51/1200454251.db2.gz QLNWHJIXGVLKMQ-BBRMVZONSA-N 1 2 335.835 2.034 20 30 EEEDLO COc1cccc([C@@H]2CN(C(=O)Cc3ccc(C#N)cc3)CC[NH2+]2)c1 ZINC000870149890 1200511876 /nfs/dbraw/zinc/51/18/76/1200511876.db2.gz NXMADSNNWYJXJE-IBGZPJMESA-N 1 2 335.407 2.282 20 30 EEEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nc(-c3ccoc3)no2)CCC1 ZINC001133392072 1200848145 /nfs/dbraw/zinc/84/81/45/1200848145.db2.gz GCEAQGNLFDULGV-UHFFFAOYSA-N 1 2 330.388 2.282 20 30 EEEDLO CCCCc1noc(CO[NH+]=C(N)Cc2ccc(OC)c(OC)c2)n1 ZINC000123434390 1200992675 /nfs/dbraw/zinc/99/26/75/1200992675.db2.gz OSFYQSVSMDHERL-UHFFFAOYSA-N 1 2 348.403 2.461 20 30 EEEDLO COC(=O)c1cccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)n1 ZINC000879586231 1201158698 /nfs/dbraw/zinc/15/86/98/1201158698.db2.gz IKHODZZKJCRUGB-UHFFFAOYSA-N 1 2 336.395 2.062 20 30 EEEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]NC(=S)N[C@H](C)C1CC1 ZINC000794913901 1201499877 /nfs/dbraw/zinc/49/98/77/1201499877.db2.gz AQOYTRXAIYIINW-LLVKDONJSA-N 1 2 342.472 2.359 20 30 EEEDLO N#Cc1ccncc1N1CC[NH+](C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000795041761 1201897696 /nfs/dbraw/zinc/89/76/96/1201897696.db2.gz KCAYCTVRKVWRAM-SFHVURJKSA-N 1 2 342.830 2.462 20 30 EEEDLO COc1c(C)c[nH+]c(CNC(=O)C#Cc2ccc3c(c2)OCO3)c1C ZINC000135454340 1202352520 /nfs/dbraw/zinc/35/25/20/1202352520.db2.gz YEFQWJBMZRRWCK-UHFFFAOYSA-N 1 2 338.363 2.104 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cncc3[nH]ccc32)C1 ZINC001015103490 1224750046 /nfs/dbraw/zinc/75/00/46/1224750046.db2.gz OQUGGBNOFUCRIY-INIZCTEOSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cncc3[nH]ccc32)C1 ZINC001015103490 1224750049 /nfs/dbraw/zinc/75/00/49/1224750049.db2.gz OQUGGBNOFUCRIY-INIZCTEOSA-N 1 2 345.406 2.439 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(C#N)cn2)CC1 ZINC000889225319 1204591006 /nfs/dbraw/zinc/59/10/06/1204591006.db2.gz NRUNZTYLZFIPSY-CQSZACIVSA-N 1 2 336.399 2.259 20 30 EEEDLO Cc1nc(N2CCC(C)(CNC(=O)c3cc(C#N)c[nH]3)CC2)cc[nH+]1 ZINC001110875416 1204953484 /nfs/dbraw/zinc/95/34/84/1204953484.db2.gz NXPSGBPZUSVKGU-UHFFFAOYSA-N 1 2 338.415 2.021 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2ccnc(OC)c2Cl)C1=O ZINC001274425478 1205032365 /nfs/dbraw/zinc/03/23/65/1205032365.db2.gz OFJDOGRESALSKK-KRWDZBQOSA-N 1 2 335.835 2.497 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccnc(OC)c2Cl)C1=O ZINC001274425478 1205032368 /nfs/dbraw/zinc/03/23/68/1205032368.db2.gz OFJDOGRESALSKK-KRWDZBQOSA-N 1 2 335.835 2.497 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cn[nH]c2)ccc1C#N ZINC001275064723 1205247824 /nfs/dbraw/zinc/24/78/24/1205247824.db2.gz HGPYZELUQXOJKF-HDICACEKSA-N 1 2 335.411 2.079 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cn[nH]c2)ccc1C#N ZINC001275064723 1205247826 /nfs/dbraw/zinc/24/78/26/1205247826.db2.gz HGPYZELUQXOJKF-HDICACEKSA-N 1 2 335.411 2.079 20 30 EEEDLO CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001275327575 1205310154 /nfs/dbraw/zinc/31/01/54/1205310154.db2.gz WBMMBPCRXDNVFK-IYBDPMFKSA-N 1 2 330.407 2.464 20 30 EEEDLO CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001275327575 1205310157 /nfs/dbraw/zinc/31/01/57/1205310157.db2.gz WBMMBPCRXDNVFK-IYBDPMFKSA-N 1 2 330.407 2.464 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)c1 ZINC001275358169 1205319625 /nfs/dbraw/zinc/31/96/25/1205319625.db2.gz JMMNVTRFOKPYDK-MOPGFXCFSA-N 1 2 340.402 2.111 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccc[nH]2)c1 ZINC001275358169 1205319628 /nfs/dbraw/zinc/31/96/28/1205319628.db2.gz JMMNVTRFOKPYDK-MOPGFXCFSA-N 1 2 340.402 2.111 20 30 EEEDLO COCCOC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cccc(Cl)c1C#N ZINC001275363813 1205323244 /nfs/dbraw/zinc/32/32/44/1205323244.db2.gz ZIYDRNCEYZEIQB-ROUUACIJSA-N 1 2 349.862 2.481 20 30 EEEDLO COCCOC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cccc(Cl)c1C#N ZINC001275363813 1205323246 /nfs/dbraw/zinc/32/32/46/1205323246.db2.gz ZIYDRNCEYZEIQB-ROUUACIJSA-N 1 2 349.862 2.481 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C)CC1 ZINC001015200756 1224898934 /nfs/dbraw/zinc/89/89/34/1224898934.db2.gz CKDPOTXVXNDGOR-YOEHRIQHSA-N 1 2 344.459 2.194 20 30 EEEDLO C=CCOCC(=O)NC[C@]1(C)CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001110926248 1206279912 /nfs/dbraw/zinc/27/99/12/1206279912.db2.gz XHLGIZVPPPHNDO-IBGZPJMESA-N 1 2 346.475 2.327 20 30 EEEDLO C[C@@H](CC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)n1cc[nH+]c1 ZINC000928719519 1206415168 /nfs/dbraw/zinc/41/51/68/1206415168.db2.gz HGTFHMRRVWLHDI-HOCLYGCPSA-N 1 2 338.415 2.204 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC(C)C)CCC1 ZINC001110986965 1206552367 /nfs/dbraw/zinc/55/23/67/1206552367.db2.gz CQCHQCXXLPOGIL-ZACQAIPSSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC(C)C)CCC1 ZINC001110986965 1206552368 /nfs/dbraw/zinc/55/23/68/1206552368.db2.gz CQCHQCXXLPOGIL-ZACQAIPSSA-N 1 2 347.503 2.227 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](OC)C(F)(F)F)C2 ZINC001111242308 1208414192 /nfs/dbraw/zinc/41/41/92/1208414192.db2.gz ZNSCMLVTLKOWEE-WISYIIOYSA-N 1 2 340.773 2.428 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](OC)C(F)(F)F)C2 ZINC001111242308 1208414194 /nfs/dbraw/zinc/41/41/94/1208414194.db2.gz ZNSCMLVTLKOWEE-WISYIIOYSA-N 1 2 340.773 2.428 20 30 EEEDLO C#CCCCCC(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001067235781 1225063972 /nfs/dbraw/zinc/06/39/72/1225063972.db2.gz JZBFNRLOEIXEMX-INIZCTEOSA-N 1 2 346.475 2.089 20 30 EEEDLO C#CCCCCC(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001067235781 1225063978 /nfs/dbraw/zinc/06/39/78/1225063978.db2.gz JZBFNRLOEIXEMX-INIZCTEOSA-N 1 2 346.475 2.089 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nonc3C)[C@@H](C)C2)cc1 ZINC000947610570 1208643458 /nfs/dbraw/zinc/64/34/58/1208643458.db2.gz ASGJXDDRZDPOJN-SUMWQHHRSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nonc3C)[C@@H](C)C2)cc1 ZINC000947610570 1208643460 /nfs/dbraw/zinc/64/34/60/1208643460.db2.gz ASGJXDDRZDPOJN-SUMWQHHRSA-N 1 2 338.411 2.142 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](CC)C1 ZINC000948502125 1209179849 /nfs/dbraw/zinc/17/98/49/1209179849.db2.gz UIIHWLKPXXAKMI-LSDHHAIUSA-N 1 2 346.475 2.216 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC000948891385 1209440613 /nfs/dbraw/zinc/44/06/13/1209440613.db2.gz YYIRNEBQXMUUFJ-IBGZPJMESA-N 1 2 336.439 2.325 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(CC)n[nH]1 ZINC000948891385 1209440615 /nfs/dbraw/zinc/44/06/15/1209440615.db2.gz YYIRNEBQXMUUFJ-IBGZPJMESA-N 1 2 336.439 2.325 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1c(C2CC2)cnn1C ZINC000948923778 1209455438 /nfs/dbraw/zinc/45/54/38/1209455438.db2.gz SSEZHEIQXYAMGP-IBGZPJMESA-N 1 2 348.450 2.260 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1c(C2CC2)cnn1C ZINC000948923778 1209455440 /nfs/dbraw/zinc/45/54/40/1209455440.db2.gz SSEZHEIQXYAMGP-IBGZPJMESA-N 1 2 348.450 2.260 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ncc(F)cc1F ZINC000948927571 1209456981 /nfs/dbraw/zinc/45/69/81/1209456981.db2.gz CMTSLAFAGLDNSF-KRWDZBQOSA-N 1 2 341.361 2.322 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ncc(F)cc1F ZINC000948927571 1209456983 /nfs/dbraw/zinc/45/69/83/1209456983.db2.gz CMTSLAFAGLDNSF-KRWDZBQOSA-N 1 2 341.361 2.322 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1c[nH]nc1CCC ZINC000948933472 1209460418 /nfs/dbraw/zinc/46/04/18/1209460418.db2.gz YMVTVXCCPBHKLL-LJQANCHMSA-N 1 2 336.439 2.325 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1c[nH]nc1CCC ZINC000948933472 1209460419 /nfs/dbraw/zinc/46/04/19/1209460419.db2.gz YMVTVXCCPBHKLL-LJQANCHMSA-N 1 2 336.439 2.325 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnc(C2CC2)nc1 ZINC000948969232 1209479577 /nfs/dbraw/zinc/47/95/77/1209479577.db2.gz BYPPDBSEQQJBKB-LJQANCHMSA-N 1 2 346.434 2.316 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnc(C2CC2)nc1 ZINC000948969232 1209479580 /nfs/dbraw/zinc/47/95/80/1209479580.db2.gz BYPPDBSEQQJBKB-LJQANCHMSA-N 1 2 346.434 2.316 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc2cccnn21 ZINC000948969989 1209480519 /nfs/dbraw/zinc/48/05/19/1209480519.db2.gz PEDCLEWEHWWIKK-FQEVSTJZSA-N 1 2 344.418 2.297 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc2cccnn21 ZINC000948969989 1209480521 /nfs/dbraw/zinc/48/05/21/1209480521.db2.gz PEDCLEWEHWWIKK-FQEVSTJZSA-N 1 2 344.418 2.297 20 30 EEEDLO CCN(C(=O)[C@H]1C[C@H]1C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000949609085 1209759033 /nfs/dbraw/zinc/75/90/33/1209759033.db2.gz XIFPWIJXPOBLNP-KDOFPFPSSA-N 1 2 327.428 2.278 20 30 EEEDLO Cc1nc(N2C[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@@H]3C2)c(C)c(C)[nH+]1 ZINC001111294993 1209862327 /nfs/dbraw/zinc/86/23/27/1209862327.db2.gz WICNGWBSUCJCCF-CALCHBBNSA-N 1 2 340.471 2.346 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c[nH]cc2-c2cnn(C)c2)C1 ZINC000950064073 1210005274 /nfs/dbraw/zinc/00/52/74/1210005274.db2.gz UTWLRVDKUXIYFS-UHFFFAOYSA-N 1 2 327.432 2.138 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]cc[nH+]1 ZINC000952587071 1211494126 /nfs/dbraw/zinc/49/41/26/1211494126.db2.gz FXEYSTSMGSTAHW-ZRGWGRIASA-N 1 2 344.459 2.146 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000953388823 1211791311 /nfs/dbraw/zinc/79/13/11/1211791311.db2.gz VFPSMHNLHKTTBG-GDBMZVCRSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C1CCC(C(=O)N(C)C2CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC000954460241 1212274532 /nfs/dbraw/zinc/27/45/32/1212274532.db2.gz QGXAOVWWZRIFSG-UHFFFAOYSA-N 1 2 344.459 2.079 20 30 EEEDLO C=C1CCC(C(=O)N2CC[NH+]([C@@H]3CCN(C(=O)CCC)C3)CC2)CC1 ZINC000956606207 1214127879 /nfs/dbraw/zinc/12/78/79/1214127879.db2.gz PKRAFPHFJRVVML-GOSISDBHSA-N 1 2 347.503 2.278 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C2)c1 ZINC001015678411 1225542307 /nfs/dbraw/zinc/54/23/07/1225542307.db2.gz HNZULPYALCOZIY-SFHVURJKSA-N 1 2 341.361 2.345 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C2)c1 ZINC001015678411 1225542309 /nfs/dbraw/zinc/54/23/09/1225542309.db2.gz HNZULPYALCOZIY-SFHVURJKSA-N 1 2 341.361 2.345 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccc(C(F)(F)F)n2)C1 ZINC000956994225 1214741084 /nfs/dbraw/zinc/74/10/84/1214741084.db2.gz 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2.312 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)c1 ZINC001008468464 1222863287 /nfs/dbraw/zinc/86/32/87/1222863287.db2.gz LVCBXRNNVMYKOO-NRFANRHFSA-N 1 2 343.430 2.309 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC001008468464 1222863291 /nfs/dbraw/zinc/86/32/91/1222863291.db2.gz LVCBXRNNVMYKOO-NRFANRHFSA-N 1 2 343.430 2.309 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001008485706 1222878224 /nfs/dbraw/zinc/87/82/24/1222878224.db2.gz PGQJONFHYRBHRI-LIRRHRJNSA-N 1 2 344.459 2.052 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)c3cnc(C)cn3)C2)nc1 ZINC001009268824 1223194095 /nfs/dbraw/zinc/19/40/95/1223194095.db2.gz LBKDWDKEIZYOKF-DOTOQJQBSA-N 1 2 349.438 2.117 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)c3cnc(C)cn3)C2)nc1 ZINC001009268824 1223194097 /nfs/dbraw/zinc/19/40/97/1223194097.db2.gz LBKDWDKEIZYOKF-DOTOQJQBSA-N 1 2 349.438 2.117 20 30 EEEDLO Cc1nccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001009549033 1223282213 /nfs/dbraw/zinc/28/22/13/1223282213.db2.gz BZLJCILYGSWSDN-QGZVFWFLSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1nccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001009549033 1223282216 /nfs/dbraw/zinc/28/22/16/1223282216.db2.gz BZLJCILYGSWSDN-QGZVFWFLSA-N 1 2 335.411 2.051 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001009749806 1223354829 /nfs/dbraw/zinc/35/48/29/1223354829.db2.gz NVZWDKLXCMXOGL-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001009749806 1223354830 /nfs/dbraw/zinc/35/48/30/1223354830.db2.gz NVZWDKLXCMXOGL-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cscn3)C2)ccc1F ZINC001010370135 1223685725 /nfs/dbraw/zinc/68/57/25/1223685725.db2.gz TVGHNBOICPWURB-CYBMUJFWSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)c3cscn3)C2)ccc1F ZINC001010370135 1223685727 /nfs/dbraw/zinc/68/57/27/1223685727.db2.gz TVGHNBOICPWURB-CYBMUJFWSA-N 1 2 330.388 2.158 20 30 EEEDLO CCc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)co1 ZINC001010698955 1223856585 /nfs/dbraw/zinc/85/65/85/1223856585.db2.gz DRKVSCKASXUMNX-NSHDSACASA-N 1 2 330.413 2.174 20 30 EEEDLO CCc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)co1 ZINC001010698955 1223856587 /nfs/dbraw/zinc/85/65/87/1223856587.db2.gz DRKVSCKASXUMNX-NSHDSACASA-N 1 2 330.413 2.174 20 30 EEEDLO CCc1noc(C)c1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016231015 1226231972 /nfs/dbraw/zinc/23/19/72/1226231972.db2.gz XGSBJQZSLVHURR-QGZVFWFLSA-N 1 2 337.423 2.401 20 30 EEEDLO CCc1noc(C)c1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016231015 1226231976 /nfs/dbraw/zinc/23/19/76/1226231976.db2.gz XGSBJQZSLVHURR-QGZVFWFLSA-N 1 2 337.423 2.401 20 30 EEEDLO Cn1cc(Cl)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001014541659 1226745632 /nfs/dbraw/zinc/74/56/32/1226745632.db2.gz RWMFZLKRDUFXLX-SNVBAGLBSA-N 1 2 349.847 2.011 20 30 EEEDLO Cn1cc(Cl)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001014541659 1226745640 /nfs/dbraw/zinc/74/56/40/1226745640.db2.gz RWMFZLKRDUFXLX-SNVBAGLBSA-N 1 2 349.847 2.011 20 30 EEEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1Nc1cccc(F)c1C#N ZINC001067173866 1227150972 /nfs/dbraw/zinc/15/09/72/1227150972.db2.gz BGDJXOODABOIRP-DYVFJYSZSA-N 1 2 341.390 2.243 20 30 EEEDLO Cc1cncc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(C#N)c[nH]2)c1 ZINC001017452476 1227432358 /nfs/dbraw/zinc/43/23/58/1227432358.db2.gz ULOOGEFDXYTKAI-CALCHBBNSA-N 1 2 335.411 2.079 20 30 EEEDLO Cc1cncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(C#N)c[nH]2)c1 ZINC001017452476 1227432361 /nfs/dbraw/zinc/43/23/61/1227432361.db2.gz ULOOGEFDXYTKAI-CALCHBBNSA-N 1 2 335.411 2.079 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC001019238150 1228903906 /nfs/dbraw/zinc/90/39/06/1228903906.db2.gz ONYMSIUGYXKGKR-ZDUSSCGKSA-N 1 2 330.388 2.232 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038267673 1229713360 /nfs/dbraw/zinc/71/33/60/1229713360.db2.gz YFLWOCCIBHSCHD-AQNXPRMDSA-N 1 2 338.451 2.210 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038267673 1229713363 /nfs/dbraw/zinc/71/33/63/1229713363.db2.gz YFLWOCCIBHSCHD-AQNXPRMDSA-N 1 2 338.451 2.210 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc3c[nH]ccc-3n2)cc1 ZINC001038417077 1229801171 /nfs/dbraw/zinc/80/11/71/1229801171.db2.gz QIYOEEPDKAEJKL-KRWDZBQOSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc3c[nH]ccc-3n2)cc1 ZINC001038417077 1229801175 /nfs/dbraw/zinc/80/11/75/1229801175.db2.gz QIYOEEPDKAEJKL-KRWDZBQOSA-N 1 2 345.406 2.439 20 30 EEEDLO CC1(Nc2ccc(C#N)nc2)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001067258555 1229862270 /nfs/dbraw/zinc/86/22/70/1229862270.db2.gz TWFWKYZLZVLZES-UHFFFAOYSA-N 1 2 338.415 2.102 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cc(C)ns1 ZINC001038798502 1230064769 /nfs/dbraw/zinc/06/47/69/1230064769.db2.gz PNPVREGDLVFOKU-KBMXLJTQSA-N 1 2 335.473 2.123 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cc(C)ns1 ZINC001038798502 1230064774 /nfs/dbraw/zinc/06/47/74/1230064774.db2.gz PNPVREGDLVFOKU-KBMXLJTQSA-N 1 2 335.473 2.123 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1conc1C ZINC001038800219 1230065480 /nfs/dbraw/zinc/06/54/80/1230065480.db2.gz QWMLVXAWTLHAAL-ULQDDVLXSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1conc1C ZINC001038800219 1230065486 /nfs/dbraw/zinc/06/54/86/1230065486.db2.gz QWMLVXAWTLHAAL-ULQDDVLXSA-N 1 2 333.432 2.045 20 30 EEEDLO C=CCOc1cccnc1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccn1 ZINC001038905108 1230151815 /nfs/dbraw/zinc/15/18/15/1230151815.db2.gz MRNVTLFUHABUQO-MRXNPFEDSA-N 1 2 338.411 2.046 20 30 EEEDLO C=CCOc1cccnc1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccn1 ZINC001038905108 1230151817 /nfs/dbraw/zinc/15/18/17/1230151817.db2.gz MRNVTLFUHABUQO-MRXNPFEDSA-N 1 2 338.411 2.046 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)[C@H]2CC[C@H](CC)CC2)C1=O ZINC001038941534 1230180453 /nfs/dbraw/zinc/18/04/53/1230180453.db2.gz ALWMHOHNDKMIMN-TVFCKZIOSA-N 1 2 347.503 2.180 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CC[C@H](CC)CC2)C1=O ZINC001038941534 1230180456 /nfs/dbraw/zinc/18/04/56/1230180456.db2.gz ALWMHOHNDKMIMN-TVFCKZIOSA-N 1 2 347.503 2.180 20 30 EEEDLO Cc1c[nH]nc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039578597 1230701961 /nfs/dbraw/zinc/70/19/61/1230701961.db2.gz SKVLLNVXNPBANX-HDICACEKSA-N 1 2 349.438 2.469 20 30 EEEDLO Cc1c[nH]nc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039578597 1230701964 /nfs/dbraw/zinc/70/19/64/1230701964.db2.gz SKVLLNVXNPBANX-HDICACEKSA-N 1 2 349.438 2.469 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001067514305 1249152354 /nfs/dbraw/zinc/15/23/54/1249152354.db2.gz LTOKEPJVMDRIEO-CQSZACIVSA-N 1 2 334.464 2.107 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001067514305 1249152361 /nfs/dbraw/zinc/15/23/61/1249152361.db2.gz LTOKEPJVMDRIEO-CQSZACIVSA-N 1 2 334.464 2.107 20 30 EEEDLO Cc1ncc(C(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)[nH]1 ZINC001041977799 1231804158 /nfs/dbraw/zinc/80/41/58/1231804158.db2.gz HQNZVKQSCQBFBR-QUCCMNQESA-N 1 2 348.450 2.306 20 30 EEEDLO Cc1ncc(C(=O)N2CC[C@H]3CC[N@@H+](CC#Cc4ccccc4)[C@H]3C2)[nH]1 ZINC001041977799 1231804159 /nfs/dbraw/zinc/80/41/59/1231804159.db2.gz HQNZVKQSCQBFBR-QUCCMNQESA-N 1 2 348.450 2.306 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@H+](Cc4nccs4)[C@@H]3C2)[nH]1 ZINC001042015107 1231832602 /nfs/dbraw/zinc/83/26/02/1231832602.db2.gz CJNVPTXYMSLGER-SWLSCSKDSA-N 1 2 341.440 2.079 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4nccs4)[C@@H]3C2)[nH]1 ZINC001042015107 1231832605 /nfs/dbraw/zinc/83/26/05/1231832605.db2.gz CJNVPTXYMSLGER-SWLSCSKDSA-N 1 2 341.440 2.079 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(CC)o3)[C@H]2C1 ZINC001042183360 1231941974 /nfs/dbraw/zinc/94/19/74/1231941974.db2.gz PBAWRZVAFIHCHO-KGLIPLIRSA-N 1 2 332.448 2.267 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(CC)o3)[C@H]2C1 ZINC001042183360 1231941976 /nfs/dbraw/zinc/94/19/76/1231941976.db2.gz PBAWRZVAFIHCHO-KGLIPLIRSA-N 1 2 332.448 2.267 20 30 EEEDLO CN(C(=O)[C@H]1[C@@H]2CCC[C@@H]21)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001042583343 1232112477 /nfs/dbraw/zinc/11/24/77/1232112477.db2.gz JLXHXENVAFQTNT-BWTSREIZSA-N 1 2 339.439 2.278 20 30 EEEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1Nc1cccc(F)c1C#N ZINC001043578555 1232494036 /nfs/dbraw/zinc/49/40/36/1232494036.db2.gz BICKWNLANXJBPS-SJKOYZFVSA-N 1 2 341.390 2.312 20 30 EEEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1Nc1cccc(F)c1C#N ZINC001043578555 1232494040 /nfs/dbraw/zinc/49/40/40/1232494040.db2.gz BICKWNLANXJBPS-SJKOYZFVSA-N 1 2 341.390 2.312 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001045149138 1233538876 /nfs/dbraw/zinc/53/88/76/1233538876.db2.gz SBWOOGCGULJAFZ-AWEZNQCLSA-N 1 2 348.495 2.111 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CCCN(c3cc[nH+]c(C)n3)CC2)nc1 ZINC001067600901 1249300056 /nfs/dbraw/zinc/30/00/56/1249300056.db2.gz WOHVGSJZLRAKLL-QGZVFWFLSA-N 1 2 349.438 2.292 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cscn1 ZINC001045850739 1234068220 /nfs/dbraw/zinc/06/82/20/1234068220.db2.gz FXALRUWETSJBQZ-TWMKSMIVSA-N 1 2 347.484 2.300 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cscn1 ZINC001045850739 1234068221 /nfs/dbraw/zinc/06/82/21/1234068221.db2.gz FXALRUWETSJBQZ-TWMKSMIVSA-N 1 2 347.484 2.300 20 30 EEEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cccc4ccccc43)CC2)C1 ZINC001046081095 1234415947 /nfs/dbraw/zinc/41/59/47/1234415947.db2.gz FTFAPMMBYDDJSR-SFHVURJKSA-N 1 2 348.450 2.195 20 30 EEEDLO Cc1csc(C[N@@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001046251770 1234595648 /nfs/dbraw/zinc/59/56/48/1234595648.db2.gz SYMBDCAFXNIQSA-MRXNPFEDSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1csc(C[N@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001046251770 1234595651 /nfs/dbraw/zinc/59/56/51/1234595651.db2.gz SYMBDCAFXNIQSA-MRXNPFEDSA-N 1 2 329.429 2.046 20 30 EEEDLO C[C@]1(NC(=O)c2ccns2)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046356788 1234702703 /nfs/dbraw/zinc/70/27/03/1234702703.db2.gz ZQKZUZHEJTUYKU-SFHVURJKSA-N 1 2 325.437 2.389 20 30 EEEDLO C[C@]1(NC(=O)c2ccns2)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046356788 1234702705 /nfs/dbraw/zinc/70/27/05/1234702705.db2.gz ZQKZUZHEJTUYKU-SFHVURJKSA-N 1 2 325.437 2.389 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H](C)c3ncc(C)o3)C2)cn1 ZINC001046782235 1235180352 /nfs/dbraw/zinc/18/03/52/1235180352.db2.gz WKVQSWGGQOYWIJ-LIRRHRJNSA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)c3ncc(C)o3)C2)cn1 ZINC001046782235 1235180355 /nfs/dbraw/zinc/18/03/55/1235180355.db2.gz WKVQSWGGQOYWIJ-LIRRHRJNSA-N 1 2 338.411 2.315 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnn3c2C[C@H](C)CC3)C1 ZINC001046807997 1235206812 /nfs/dbraw/zinc/20/68/12/1235206812.db2.gz PASARSCNSXWCON-PXAZEXFGSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnn3c2C[C@H](C)CC3)C1 ZINC001046807997 1235206815 /nfs/dbraw/zinc/20/68/15/1235206815.db2.gz PASARSCNSXWCON-PXAZEXFGSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001046930211 1235319771 /nfs/dbraw/zinc/31/97/71/1235319771.db2.gz YAMNAQHPBRRHNE-LLVKDONJSA-N 1 2 345.777 2.227 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001046930211 1235319772 /nfs/dbraw/zinc/31/97/72/1235319772.db2.gz YAMNAQHPBRRHNE-LLVKDONJSA-N 1 2 345.777 2.227 20 30 EEEDLO CCC[C@@H]1C[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047520832 1236145291 /nfs/dbraw/zinc/14/52/91/1236145291.db2.gz FUSBEYJXADFYRF-VZEFYGNVSA-N 1 2 347.484 2.059 20 30 EEEDLO CCC[C@@H]1C[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047520832 1236145295 /nfs/dbraw/zinc/14/52/95/1236145295.db2.gz FUSBEYJXADFYRF-VZEFYGNVSA-N 1 2 347.484 2.059 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096203294 1236154104 /nfs/dbraw/zinc/15/41/04/1236154104.db2.gz LXPMONUCBPJSHL-HOTGVXAUSA-N 1 2 344.459 2.032 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001047635571 1236322412 /nfs/dbraw/zinc/32/24/12/1236322412.db2.gz BLWVUUKHBXQBAO-DZKIICNBSA-N 1 2 344.459 2.050 20 30 EEEDLO C=CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001047708022 1236432579 /nfs/dbraw/zinc/43/25/79/1236432579.db2.gz KJXZPTRSEPANLT-JYJNAYRXSA-N 1 2 344.459 2.113 20 30 EEEDLO N#Cc1c(F)cccc1N1CC[NH+](CCNC(=O)CCC2CC2)CC1 ZINC001096278451 1237018477 /nfs/dbraw/zinc/01/84/77/1237018477.db2.gz SONFAFXQHBRTSF-UHFFFAOYSA-N 1 2 344.434 2.126 20 30 EEEDLO Cc1nc(N2CC[C@H](NC(=O)C#CC(C)(C)C)C2)c2c([nH+]1)CCCC2 ZINC001096364288 1237703952 /nfs/dbraw/zinc/70/39/52/1237703952.db2.gz GRLYDJGVLLVGKN-HNNXBMFYSA-N 1 2 340.471 2.408 20 30 EEEDLO Cc1nn(-c2ccccn2)c(C)c1C=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000802712974 1238059785 /nfs/dbraw/zinc/05/97/85/1238059785.db2.gz XZGMSDMJCZFXFQ-IYBDPMFKSA-N 1 2 337.431 2.078 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056575029 1239443392 /nfs/dbraw/zinc/44/33/92/1239443392.db2.gz WCWIDJTUQVJGNE-XIRDDKMYSA-N 1 2 344.459 2.146 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001067853270 1249773522 /nfs/dbraw/zinc/77/35/22/1249773522.db2.gz WZTGPWHNMIZCMU-INIZCTEOSA-N 1 2 334.464 2.182 20 30 EEEDLO Cc1nc(N[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)ccc1C#N ZINC001056793229 1239793250 /nfs/dbraw/zinc/79/32/50/1239793250.db2.gz ZIIANIDLEZRSKX-XJKSGUPXSA-N 1 2 338.415 2.122 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(C4CC4)o3)C2)C1 ZINC001000128341 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1240738541 /nfs/dbraw/zinc/73/85/41/1240738541.db2.gz GLGLFDBEYAUQRH-WCFLWFBJSA-N 1 2 326.238 2.120 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2cscn2)c1 ZINC001049400875 1240793921 /nfs/dbraw/zinc/79/39/21/1240793921.db2.gz KQJFUSQDSYEAEY-JKSUJKDBSA-N 1 2 341.440 2.222 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2cscn2)c1 ZINC001049400875 1240793934 /nfs/dbraw/zinc/79/39/34/1240793934.db2.gz KQJFUSQDSYEAEY-JKSUJKDBSA-N 1 2 341.440 2.222 20 30 EEEDLO Cc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)no1 ZINC001049426131 1240880433 /nfs/dbraw/zinc/88/04/33/1240880433.db2.gz SJHCTAQPWGHMPF-IRXDYDNUSA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1cc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)no1 ZINC001049426131 1240880446 /nfs/dbraw/zinc/88/04/46/1240880446.db2.gz SJHCTAQPWGHMPF-IRXDYDNUSA-N 1 2 339.399 2.062 20 30 EEEDLO C#CCOCCC(=O)N(CCC)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001096546198 1241366670 /nfs/dbraw/zinc/36/66/70/1241366670.db2.gz DYCQFXRWWFLGPA-UHFFFAOYSA-N 1 2 344.459 2.032 20 30 EEEDLO CN(c1ccc(C#N)cn1)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001057067972 1241575861 /nfs/dbraw/zinc/57/58/61/1241575861.db2.gz MRSIJTKGFAXEQQ-OAHLLOKOSA-N 1 2 346.394 2.180 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ncnn1CC ZINC001049632835 1241712710 /nfs/dbraw/zinc/71/27/10/1241712710.db2.gz BWSZVZZITIAXEX-HOTGVXAUSA-N 1 2 345.491 2.466 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ncnn1CC ZINC001049632835 1241712715 /nfs/dbraw/zinc/71/27/15/1241712715.db2.gz BWSZVZZITIAXEX-HOTGVXAUSA-N 1 2 345.491 2.466 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2cnns2)C1 ZINC001049702672 1241925120 /nfs/dbraw/zinc/92/51/20/1241925120.db2.gz MZSJFQKLCAAEGF-GJZGRUSLSA-N 1 2 332.473 2.460 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2cnns2)C1 ZINC001049702672 1241925127 /nfs/dbraw/zinc/92/51/27/1241925127.db2.gz MZSJFQKLCAAEGF-GJZGRUSLSA-N 1 2 332.473 2.460 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cnn3c2CCCC3)CC1 ZINC001001348411 1242108000 /nfs/dbraw/zinc/10/80/00/1242108000.db2.gz SZHUMOVUINVJSB-UHFFFAOYSA-N 1 2 334.851 2.334 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cnn3c2CCCC3)CC1 ZINC001001348411 1242108004 /nfs/dbraw/zinc/10/80/04/1242108004.db2.gz SZHUMOVUINVJSB-UHFFFAOYSA-N 1 2 334.851 2.334 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001096934488 1243479994 /nfs/dbraw/zinc/47/99/94/1243479994.db2.gz KXVPDZNVYZNTSD-HNNXBMFYSA-N 1 2 326.444 2.480 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC001057440280 1243780118 /nfs/dbraw/zinc/78/01/18/1243780118.db2.gz XGNZOKKOHCGBGP-RDJZCZTQSA-N 1 2 330.432 2.169 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(CNc2cc[nH+]c(C)n2)CC1 ZINC001057548207 1244218035 /nfs/dbraw/zinc/21/80/35/1244218035.db2.gz HCPADNKAWNARAI-WMZOPIPTSA-N 1 2 344.459 2.417 20 30 EEEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001097494163 1244264553 /nfs/dbraw/zinc/26/45/53/1244264553.db2.gz RVEPLDVYUKFASD-OAHLLOKOSA-N 1 2 346.479 2.395 20 30 EEEDLO N#Cc1ccc(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)nc1 ZINC000780213223 1244408730 /nfs/dbraw/zinc/40/87/30/1244408730.db2.gz ZDAPQBFWHUHHPR-UHFFFAOYSA-N 1 2 346.394 2.197 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1coc2c1cccc2OC ZINC001050918468 1244623515 /nfs/dbraw/zinc/62/35/15/1244623515.db2.gz VOWYOZLRDPFNRB-AWEZNQCLSA-N 1 2 344.411 2.448 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1coc2c1cccc2OC ZINC001050918468 1244623525 /nfs/dbraw/zinc/62/35/25/1244623525.db2.gz VOWYOZLRDPFNRB-AWEZNQCLSA-N 1 2 344.411 2.448 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(F)cc2ccncc21 ZINC001050918459 1244623848 /nfs/dbraw/zinc/62/38/48/1244623848.db2.gz VMRMGTJKZJFPPY-INIZCTEOSA-N 1 2 343.402 2.381 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(F)cc2ccncc21 ZINC001050918459 1244623856 /nfs/dbraw/zinc/62/38/56/1244623856.db2.gz VMRMGTJKZJFPPY-INIZCTEOSA-N 1 2 343.402 2.381 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(-c2ccco2)c1 ZINC001050971612 1244757183 /nfs/dbraw/zinc/75/71/83/1244757183.db2.gz XXBJPRIXZUFBLA-INIZCTEOSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(-c2ccco2)c1 ZINC001050971612 1244757193 /nfs/dbraw/zinc/75/71/93/1244757193.db2.gz XXBJPRIXZUFBLA-INIZCTEOSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001052815262 1245058258 /nfs/dbraw/zinc/05/82/58/1245058258.db2.gz TWYJBHHIXIHSCJ-CABCVRRESA-N 1 2 346.475 2.155 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001052815262 1245058269 /nfs/dbraw/zinc/05/82/69/1245058269.db2.gz TWYJBHHIXIHSCJ-CABCVRRESA-N 1 2 346.475 2.155 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(C(C)C)nc1C ZINC001051206215 1245389937 /nfs/dbraw/zinc/38/99/37/1245389937.db2.gz KAZJBYGWKCLABB-INIZCTEOSA-N 1 2 334.464 2.169 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(C(C)C)nc1C ZINC001051206215 1245389943 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/nfs/dbraw/zinc/91/98/08/1336919808.db2.gz NCTAVISRPVZABJ-HOCLYGCPSA-N 1 2 333.480 2.481 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)CCCF ZINC001340195503 1337135755 /nfs/dbraw/zinc/13/57/55/1337135755.db2.gz LWQOQLLSHYJNEB-HUUCEWRRSA-N 1 2 337.443 2.186 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)CCCF ZINC001340195503 1337135756 /nfs/dbraw/zinc/13/57/56/1337135756.db2.gz LWQOQLLSHYJNEB-HUUCEWRRSA-N 1 2 337.443 2.186 20 30 EEEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCCC1 ZINC001343947575 1337358403 /nfs/dbraw/zinc/35/84/03/1337358403.db2.gz PSUCHKZSOSKRED-JKSUJKDBSA-N 1 2 331.464 2.380 20 30 EEEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCCC1 ZINC001343947575 1337358407 /nfs/dbraw/zinc/35/84/07/1337358407.db2.gz PSUCHKZSOSKRED-JKSUJKDBSA-N 1 2 331.464 2.380 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001346355237 1337483339 /nfs/dbraw/zinc/48/33/39/1337483339.db2.gz JBCMFZRBCGTMHF-HOTGVXAUSA-N 1 2 347.507 2.151 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CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1(C#N)CCOCC1 ZINC001649309634 1353472307 /nfs/dbraw/zinc/47/23/07/1353472307.db2.gz SIZLUZFQZDUXPQ-UHFFFAOYSA-N 1 2 347.463 2.187 20 30 EEEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(C#N)CC1 ZINC001650301055 1353833782 /nfs/dbraw/zinc/83/37/82/1353833782.db2.gz KKKBUFDTWHYQCO-UHFFFAOYSA-N 1 2 341.463 2.131 20 30 EEEDLO CC(C)(C)C#CC(=O)NCC1CC([NH2+]Cc2noc(C3CCC3)n2)C1 ZINC001100317060 1367358565 /nfs/dbraw/zinc/35/85/65/1367358565.db2.gz BQIXBIVWUGUWHF-UHFFFAOYSA-N 1 2 344.459 2.371 20 30 EEEDLO C#CCNC(=O)CC[N@H+]1CCc2sc(Br)cc2C1 ZINC000815074958 1367802432 /nfs/dbraw/zinc/80/24/32/1367802432.db2.gz JVUYPSCIKVLGJY-UHFFFAOYSA-N 1 2 327.247 2.008 20 30 EEEDLO C#CCNC(=O)CC[N@@H+]1CCc2sc(Br)cc2C1 ZINC000815074958 1367802435 /nfs/dbraw/zinc/80/24/35/1367802435.db2.gz JVUYPSCIKVLGJY-UHFFFAOYSA-N 1 2 327.247 2.008 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001187706549 1368259089 /nfs/dbraw/zinc/25/90/89/1368259089.db2.gz 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/nfs/dbraw/zinc/75/53/85/776755385.db2.gz NJAWIIHYYFYERU-UHFFFAOYSA-N 1 2 348.450 2.029 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCN(C(=O)C2(C)CC2)CC1 ZINC000981218669 776848190 /nfs/dbraw/zinc/84/81/90/776848190.db2.gz KOPDCKKQXUWTHL-UHFFFAOYSA-N 1 2 327.428 2.401 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CCCN(C(=O)C2(C)CC2)CC1 ZINC000981218669 776848197 /nfs/dbraw/zinc/84/81/97/776848197.db2.gz KOPDCKKQXUWTHL-UHFFFAOYSA-N 1 2 327.428 2.401 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1)OCC ZINC001091374636 790485795 /nfs/dbraw/zinc/48/57/95/790485795.db2.gz YGKJZYVUODPAJQ-OWCLPIDISA-N 1 2 332.448 2.463 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1C[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001091375358 790488302 /nfs/dbraw/zinc/48/83/02/790488302.db2.gz DDGKQEHLTFJQJH-GASCZTMLSA-N 1 2 343.475 2.128 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1C[C@@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001091375358 790488308 /nfs/dbraw/zinc/48/83/08/790488308.db2.gz DDGKQEHLTFJQJH-GASCZTMLSA-N 1 2 343.475 2.128 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(CCC(N)=O)cc1 ZINC001028129806 778288615 /nfs/dbraw/zinc/28/86/15/778288615.db2.gz VVKIJGKPPDBCTP-MRXNPFEDSA-N 1 2 349.862 2.051 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CCC(N)=O)cc1 ZINC001028129806 778288619 /nfs/dbraw/zinc/28/86/19/778288619.db2.gz VVKIJGKPPDBCTP-MRXNPFEDSA-N 1 2 349.862 2.051 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(N2CCCC2)ncn1 ZINC001028137597 778343690 /nfs/dbraw/zinc/34/36/90/778343690.db2.gz KFBNWRXJQBCWTQ-CQSZACIVSA-N 1 2 349.866 2.024 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(N2CCCC2)ncn1 ZINC001028137597 778343701 /nfs/dbraw/zinc/34/37/01/778343701.db2.gz KFBNWRXJQBCWTQ-CQSZACIVSA-N 1 2 349.866 2.024 20 30 EEEDLO C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccc(C#N)nc2)C1)n1cc[nH+]c1 ZINC001091408046 790619693 /nfs/dbraw/zinc/61/96/93/790619693.db2.gz HPQFVQMIBZYDLE-CPUCHLNUSA-N 1 2 338.415 2.108 20 30 EEEDLO C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ncccc2C#N)C1)n1cc[nH+]c1 ZINC001091408205 790620973 /nfs/dbraw/zinc/62/09/73/790620973.db2.gz PSZSQWMIPBFHHO-OFQRWUPVSA-N 1 2 338.415 2.108 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC001028179049 778716159 /nfs/dbraw/zinc/71/61/59/778716159.db2.gz UXBGZYKGTUDOJP-GDBMZVCRSA-N 1 2 338.810 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC001028179049 778716165 /nfs/dbraw/zinc/71/61/65/778716165.db2.gz UXBGZYKGTUDOJP-GDBMZVCRSA-N 1 2 338.810 2.462 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000981980897 778746154 /nfs/dbraw/zinc/74/61/54/778746154.db2.gz MSFGNERMVBZYKD-KDOFPFPSSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000981980897 778746157 /nfs/dbraw/zinc/74/61/57/778746157.db2.gz MSFGNERMVBZYKD-KDOFPFPSSA-N 1 2 345.418 2.157 20 30 EEEDLO Cc1cocc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031900711 779016947 /nfs/dbraw/zinc/01/69/47/779016947.db2.gz AVAHTKXCHNGEBL-UHFFFAOYSA-N 1 2 327.359 2.461 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1noc2c1CC(C)(C)CC2 ZINC001032536957 790792367 /nfs/dbraw/zinc/79/23/67/790792367.db2.gz MPLMTZCKMKLTMY-KBPBESRZSA-N 1 2 327.428 2.112 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1noc2c1CC(C)(C)CC2 ZINC001032536957 790792372 /nfs/dbraw/zinc/79/23/72/790792372.db2.gz MPLMTZCKMKLTMY-KBPBESRZSA-N 1 2 327.428 2.112 20 30 EEEDLO Cc1c(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)ccn1C ZINC001031956264 780645588 /nfs/dbraw/zinc/64/55/88/780645588.db2.gz ALTNGPIEUDWTQK-UHFFFAOYSA-N 1 2 340.402 2.206 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(NC(N)=O)c1 ZINC001028309057 780651456 /nfs/dbraw/zinc/65/14/56/780651456.db2.gz POUCHXYFGKDBMF-AWEZNQCLSA-N 1 2 336.823 2.124 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(NC(N)=O)c1 ZINC001028309057 780651459 /nfs/dbraw/zinc/65/14/59/780651459.db2.gz POUCHXYFGKDBMF-AWEZNQCLSA-N 1 2 336.823 2.124 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC001028338161 780818231 /nfs/dbraw/zinc/81/82/31/780818231.db2.gz YLBJJIPUDFIYEA-ZDUSSCGKSA-N 1 2 348.834 2.226 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC001028338161 780818239 /nfs/dbraw/zinc/81/82/39/780818239.db2.gz YLBJJIPUDFIYEA-ZDUSSCGKSA-N 1 2 348.834 2.226 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC3(C)CCCCC3)C2)nn1 ZINC001098690125 781187452 /nfs/dbraw/zinc/18/74/52/781187452.db2.gz HYWBZEGPPFQRST-KRWDZBQOSA-N 1 2 343.475 2.135 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cc2F)C1 ZINC001031987100 781567220 /nfs/dbraw/zinc/56/72/20/781567220.db2.gz SZDHDIWIGRRVQK-WBVHZDCISA-N 1 2 336.382 2.104 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2noc3c2COCC3)C1 ZINC001131897086 783454871 /nfs/dbraw/zinc/45/48/71/783454871.db2.gz YCHNFGKLGFGMMZ-KGLIPLIRSA-N 1 2 333.432 2.183 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2noc3c2COCC3)C1 ZINC001131897086 783454879 /nfs/dbraw/zinc/45/48/79/783454879.db2.gz YCHNFGKLGFGMMZ-KGLIPLIRSA-N 1 2 333.432 2.183 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nocc2C)C1 ZINC001131939189 783495706 /nfs/dbraw/zinc/49/57/06/783495706.db2.gz OAYAUAHPVFOIAZ-HZPDHXFCSA-N 1 2 335.448 2.435 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nocc2C)C1 ZINC001131939189 783495714 /nfs/dbraw/zinc/49/57/14/783495714.db2.gz OAYAUAHPVFOIAZ-HZPDHXFCSA-N 1 2 335.448 2.435 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001033313863 783514765 /nfs/dbraw/zinc/51/47/65/783514765.db2.gz XFSDAXOLZRTPJE-UKRRQHHQSA-N 1 2 347.846 2.398 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001033313863 783514771 /nfs/dbraw/zinc/51/47/71/783514771.db2.gz XFSDAXOLZRTPJE-UKRRQHHQSA-N 1 2 347.846 2.398 20 30 EEEDLO C=C1CCC(C(=O)N(CC)[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000942955947 783549969 /nfs/dbraw/zinc/54/99/69/783549969.db2.gz ZWLSTGRKRSTGDK-KRWDZBQOSA-N 1 2 344.459 2.148 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H]1C[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091484161 790960600 /nfs/dbraw/zinc/96/06/00/790960600.db2.gz UHDSBRTXCVVQKH-HDJSIYSDSA-N 1 2 346.479 2.155 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079070611 790990510 /nfs/dbraw/zinc/99/05/10/790990510.db2.gz NQVSKAQFWYPAIH-HNAYVOBHSA-N 1 2 346.475 2.394 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)CC1 ZINC000945484132 784168596 /nfs/dbraw/zinc/16/85/96/784168596.db2.gz UHSBRGMJZYUADS-HOCLYGCPSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091508991 791021184 /nfs/dbraw/zinc/02/11/84/791021184.db2.gz ZNIXLSXGPGRSOL-DEYYWGMASA-N 1 2 346.479 2.155 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ncoc2-c2ccccc2)C1 ZINC001035388059 784427901 /nfs/dbraw/zinc/42/79/01/784427901.db2.gz ABBGIUWDVAVBOD-INIZCTEOSA-N 1 2 341.411 2.348 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ncoc2-c2ccccc2)C1 ZINC001035388059 784427911 /nfs/dbraw/zinc/42/79/11/784427911.db2.gz ABBGIUWDVAVBOD-INIZCTEOSA-N 1 2 341.411 2.348 20 30 EEEDLO C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001035397806 784443196 /nfs/dbraw/zinc/44/31/96/784443196.db2.gz LSPKVGFVXRIXLK-LBPRGKRZSA-N 1 2 340.855 2.022 20 30 EEEDLO C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001035397806 784443202 /nfs/dbraw/zinc/44/32/02/784443202.db2.gz LSPKVGFVXRIXLK-LBPRGKRZSA-N 1 2 340.855 2.022 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)n([C@H](C)CC)n2)C1 ZINC001035423909 784467707 /nfs/dbraw/zinc/46/77/07/784467707.db2.gz MWTBTISYJFXKRN-GDBMZVCRSA-N 1 2 334.464 2.169 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(C)n([C@H](C)CC)n2)C1 ZINC001035423909 784467713 /nfs/dbraw/zinc/46/77/13/784467713.db2.gz MWTBTISYJFXKRN-GDBMZVCRSA-N 1 2 334.464 2.169 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)C1 ZINC001035423868 784467966 /nfs/dbraw/zinc/46/79/66/784467966.db2.gz MTZYMQJNUTUYGS-DOTOQJQBSA-N 1 2 346.475 2.169 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)C1 ZINC001035423868 784467970 /nfs/dbraw/zinc/46/79/70/784467970.db2.gz MTZYMQJNUTUYGS-DOTOQJQBSA-N 1 2 346.475 2.169 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091504532 791033756 /nfs/dbraw/zinc/03/37/56/791033756.db2.gz GUZCSJREEHIEJK-JOCQHMNTSA-N 1 2 342.447 2.272 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cncc3sccc32)C1 ZINC001035484057 784565822 /nfs/dbraw/zinc/56/58/22/784565822.db2.gz WQSFINFANNCLBD-CYBMUJFWSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cncc3sccc32)C1 ZINC001035484057 784565827 /nfs/dbraw/zinc/56/58/27/784565827.db2.gz WQSFINFANNCLBD-CYBMUJFWSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccnc2C(F)(F)F)C1 ZINC001035525193 784671572 /nfs/dbraw/zinc/67/15/72/784671572.db2.gz MEGZXLNVSWSNPT-LBPRGKRZSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccnc2C(F)(F)F)C1 ZINC001035525193 784671579 /nfs/dbraw/zinc/67/15/79/784671579.db2.gz MEGZXLNVSWSNPT-LBPRGKRZSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(O[C@H](C)CC)cc2)C1 ZINC001035566331 784693357 /nfs/dbraw/zinc/69/33/57/784693357.db2.gz CNNBFIKWXCTRNX-QAPCUYQASA-N 1 2 332.444 2.481 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(O[C@H](C)CC)cc2)C1 ZINC001035566331 784693360 /nfs/dbraw/zinc/69/33/60/784693360.db2.gz CNNBFIKWXCTRNX-QAPCUYQASA-N 1 2 332.444 2.481 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2sccc2C(F)F)C1 ZINC001035597166 784751456 /nfs/dbraw/zinc/75/14/56/784751456.db2.gz VXIQWCVZERAQJE-LLVKDONJSA-N 1 2 328.384 2.140 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2sccc2C(F)F)C1 ZINC001035597166 784751462 /nfs/dbraw/zinc/75/14/62/784751462.db2.gz VXIQWCVZERAQJE-LLVKDONJSA-N 1 2 328.384 2.140 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2CCC(C(F)F)CC2)C1 ZINC001035597528 784753279 /nfs/dbraw/zinc/75/32/79/784753279.db2.gz XRHRLGAQYWTCQB-NRXISQOPSA-N 1 2 330.419 2.451 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C2CCC(C(F)F)CC2)C1 ZINC001035597528 784753281 /nfs/dbraw/zinc/75/32/81/784753281.db2.gz XRHRLGAQYWTCQB-NRXISQOPSA-N 1 2 330.419 2.451 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2csc3c2CC[C@@H](C)C3)C1 ZINC001035598417 784754227 /nfs/dbraw/zinc/75/42/27/784754227.db2.gz VGJKDCXJJPVRFC-KGLIPLIRSA-N 1 2 334.485 2.490 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2csc3c2CC[C@@H](C)C3)C1 ZINC001035598417 784754232 /nfs/dbraw/zinc/75/42/32/784754232.db2.gz VGJKDCXJJPVRFC-KGLIPLIRSA-N 1 2 334.485 2.490 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2oc3ccccc3c2C)C1 ZINC001035603544 784765344 /nfs/dbraw/zinc/76/53/44/784765344.db2.gz SOZKAWLTYWIKAL-OAHLLOKOSA-N 1 2 326.396 2.195 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2oc3ccccc3c2C)C1 ZINC001035603544 784765346 /nfs/dbraw/zinc/76/53/46/784765346.db2.gz SOZKAWLTYWIKAL-OAHLLOKOSA-N 1 2 326.396 2.195 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c(F)cccc2Cl)C1 ZINC001035583564 784785857 /nfs/dbraw/zinc/78/58/57/784785857.db2.gz KRWAFMOLBKDBGH-LBPRGKRZSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c(F)cccc2Cl)C1 ZINC001035583564 784785861 /nfs/dbraw/zinc/78/58/61/784785861.db2.gz KRWAFMOLBKDBGH-LBPRGKRZSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(F)c(F)c(F)c2F)C1 ZINC001035589239 784798394 /nfs/dbraw/zinc/79/83/94/784798394.db2.gz NOVPQHXSZHVWMD-SNVBAGLBSA-N 1 2 346.324 2.250 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(F)c(F)c(F)c2F)C1 ZINC001035589239 784798397 /nfs/dbraw/zinc/79/83/97/784798397.db2.gz NOVPQHXSZHVWMD-SNVBAGLBSA-N 1 2 346.324 2.250 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(-c3ccccc3)co2)C1 ZINC001035628840 784823887 /nfs/dbraw/zinc/82/38/87/784823887.db2.gz BIOZPLBYRDOZCB-SFHVURJKSA-N 1 2 338.407 2.401 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(-c3ccccc3)co2)C1 ZINC001035628840 784823896 /nfs/dbraw/zinc/82/38/96/784823896.db2.gz BIOZPLBYRDOZCB-SFHVURJKSA-N 1 2 338.407 2.401 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(F)(F)C(F)F)cn1 ZINC001135961205 784902063 /nfs/dbraw/zinc/90/20/63/784902063.db2.gz NIHZYYXVRDCKQQ-QWRGUYRKSA-N 1 2 345.340 2.450 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ncnc3[nH]ccc31)CC2 ZINC001035744451 785010325 /nfs/dbraw/zinc/01/03/25/785010325.db2.gz GRPGZTQFQARHLA-UHFFFAOYSA-N 1 2 345.834 2.200 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CCc1nccn1C)CC2 ZINC001035753243 785062025 /nfs/dbraw/zinc/06/20/25/785062025.db2.gz OIVRZPZSWGBROS-UHFFFAOYSA-N 1 2 336.867 2.030 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc(OCC)no1)CC2 ZINC001035750365 785108590 /nfs/dbraw/zinc/10/85/90/785108590.db2.gz DVANLRKRVMUOOJ-UHFFFAOYSA-N 1 2 339.823 2.364 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc(COC)on1)CC2 ZINC001035814704 785218313 /nfs/dbraw/zinc/21/83/13/785218313.db2.gz SCFTZXLOLGWMNP-UHFFFAOYSA-N 1 2 339.823 2.112 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)C[C@H](C)CC)CC2)C1 ZINC001105705646 785810674 /nfs/dbraw/zinc/81/06/74/785810674.db2.gz JUJXSXQKTBFNPY-MRXNPFEDSA-N 1 2 338.492 2.317 20 30 EEEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCCC[C@@H](C)CC)nn2)C1 ZINC001107176625 786207183 /nfs/dbraw/zinc/20/71/83/786207183.db2.gz DZHHPYWOKFDUEQ-INIZCTEOSA-N 1 2 345.491 2.381 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCCc3ccsc3)nn2)C1 ZINC001107180100 786230434 /nfs/dbraw/zinc/23/04/34/786230434.db2.gz AJDYGHWWNCABGM-UHFFFAOYSA-N 1 2 345.472 2.021 20 30 EEEDLO CN(CCCNc1ccc(C#N)nc1)C(=O)c1cccc2[nH+]ccn21 ZINC001109564694 805686596 /nfs/dbraw/zinc/68/65/96/805686596.db2.gz DDVOOYNSCAGBDP-UHFFFAOYSA-N 1 2 334.383 2.175 20 30 EEEDLO C=CC(C)(C)CC(=O)NC/C=C\CNc1[nH+]cnc2c1cnn2C ZINC001107361987 786995100 /nfs/dbraw/zinc/99/51/00/786995100.db2.gz RRENTDBMYBZJID-SREVYHEPSA-N 1 2 328.420 2.050 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCCO[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001090585647 787075243 /nfs/dbraw/zinc/07/52/43/787075243.db2.gz MGODDPYERKNDEF-HNNXBMFYSA-N 1 2 332.448 2.417 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)CCC ZINC001109605436 805757294 /nfs/dbraw/zinc/75/72/94/805757294.db2.gz BITSUCBMNMUPCT-WCVJEAGWSA-N 1 2 335.492 2.225 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)CCC ZINC001109605436 805757300 /nfs/dbraw/zinc/75/73/00/805757300.db2.gz BITSUCBMNMUPCT-WCVJEAGWSA-N 1 2 335.492 2.225 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)CCCNc1ncnc2c1C[N@H+](C)CC2 ZINC001109620268 805767004 /nfs/dbraw/zinc/76/70/04/805767004.db2.gz SRCGDCOGIZUOBU-LJQANCHMSA-N 1 2 345.491 2.327 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)CCCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001109620268 805767006 /nfs/dbraw/zinc/76/70/06/805767006.db2.gz SRCGDCOGIZUOBU-LJQANCHMSA-N 1 2 345.491 2.327 20 30 EEEDLO N#Cc1c(F)cccc1NC/C=C\CNC(=O)CCn1cc[nH+]c1 ZINC001107445262 787258364 /nfs/dbraw/zinc/25/83/64/787258364.db2.gz GBLKXGRVSARQFG-UPHRSURJSA-N 1 2 327.363 2.068 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2coc3ccccc23)[C@@H](O)C1 ZINC001090680359 787717423 /nfs/dbraw/zinc/71/74/23/787717423.db2.gz UTZWIVUPOBTLIP-CVEARBPZSA-N 1 2 348.830 2.279 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2coc3ccccc23)[C@@H](O)C1 ZINC001090680359 787717427 /nfs/dbraw/zinc/71/74/27/787717427.db2.gz UTZWIVUPOBTLIP-CVEARBPZSA-N 1 2 348.830 2.279 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001060773476 787931162 /nfs/dbraw/zinc/93/11/62/787931162.db2.gz NXGFYTSGEBZOQC-SHTZXODSSA-N 1 2 346.475 2.346 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001060773476 787931168 /nfs/dbraw/zinc/93/11/68/787931168.db2.gz NXGFYTSGEBZOQC-SHTZXODSSA-N 1 2 346.475 2.346 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)on2)CC2(CCOCC2)C1 ZINC001099570745 787974445 /nfs/dbraw/zinc/97/44/45/787974445.db2.gz URAYVSYQPOPFSZ-KRWDZBQOSA-N 1 2 347.459 2.437 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)on2)CC2(CCOCC2)C1 ZINC001099570745 787974451 /nfs/dbraw/zinc/97/44/51/787974451.db2.gz URAYVSYQPOPFSZ-KRWDZBQOSA-N 1 2 347.459 2.437 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001079010727 788013345 /nfs/dbraw/zinc/01/33/45/788013345.db2.gz HJQKETZFCFWAHR-INIZCTEOSA-N 1 2 332.448 2.079 20 30 EEEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(CC)CC ZINC001109659148 805840501 /nfs/dbraw/zinc/84/05/01/805840501.db2.gz VNWKXOVWCLZLMO-IKGGRYGDSA-N 1 2 335.492 2.369 20 30 EEEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(CC)CC ZINC001109659148 805840506 /nfs/dbraw/zinc/84/05/06/805840506.db2.gz VNWKXOVWCLZLMO-IKGGRYGDSA-N 1 2 335.492 2.369 20 30 EEEDLO C[C@@]1(CNC(=O)CC2CC2)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107682213 788051579 /nfs/dbraw/zinc/05/15/79/788051579.db2.gz QRJALVCPYBTOQM-LJQANCHMSA-N 1 2 327.428 2.065 20 30 EEEDLO C[C@@]1(CNC(=O)CC2CC2)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107682213 788051589 /nfs/dbraw/zinc/05/15/89/788051589.db2.gz QRJALVCPYBTOQM-LJQANCHMSA-N 1 2 327.428 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2)[C@@H](O)C1 ZINC001090752543 788075118 /nfs/dbraw/zinc/07/51/18/788075118.db2.gz VSZQFFQDDWHYLL-KGLIPLIRSA-N 1 2 329.227 2.258 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2)[C@@H](O)C1 ZINC001090752543 788075123 /nfs/dbraw/zinc/07/51/23/788075123.db2.gz VSZQFFQDDWHYLL-KGLIPLIRSA-N 1 2 329.227 2.258 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)C3(C)CC(=C)C3)CC2)C1 ZINC001105724279 789254019 /nfs/dbraw/zinc/25/40/19/789254019.db2.gz VPVLVSVMMSERJT-UHFFFAOYSA-N 1 2 348.487 2.237 20 30 EEEDLO N#CC1(NC(=O)CCC(=O)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001144229675 789397331 /nfs/dbraw/zinc/39/73/31/789397331.db2.gz BEBSYMWCVAKAFZ-UHFFFAOYSA-N 1 2 339.439 2.420 20 30 EEEDLO C=C1CCC(C(=O)N[C@H](C)C2CC[NH+](Cc3ncnn3C)CC2)CC1 ZINC000997290841 789573760 /nfs/dbraw/zinc/57/37/60/789573760.db2.gz ZFULQHOILMKOIG-OAHLLOKOSA-N 1 2 345.491 2.278 20 30 EEEDLO CC(C)n1nccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032422713 789675997 /nfs/dbraw/zinc/67/59/97/789675997.db2.gz HOLVRXDAVCCHQM-ROUUACIJSA-N 1 2 349.438 2.435 20 30 EEEDLO CC(C)n1nccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032422713 789676001 /nfs/dbraw/zinc/67/60/01/789676001.db2.gz HOLVRXDAVCCHQM-ROUUACIJSA-N 1 2 349.438 2.435 20 30 EEEDLO C=CCn1cccc1C(=O)NCC1CC([NH2+][C@@H](C)c2noc(C)n2)C1 ZINC001091068012 789677035 /nfs/dbraw/zinc/67/70/35/789677035.db2.gz BHLHQZBVYGDKEQ-GRTSSRMGSA-N 1 2 343.431 2.225 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1oc(C)nc1C ZINC001032447513 789778441 /nfs/dbraw/zinc/77/84/41/789778441.db2.gz OXNWKEMDQOKMMS-HOTGVXAUSA-N 1 2 340.427 2.378 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1oc(C)nc1C ZINC001032447513 789778444 /nfs/dbraw/zinc/77/84/44/789778444.db2.gz OXNWKEMDQOKMMS-HOTGVXAUSA-N 1 2 340.427 2.378 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001032453036 789816097 /nfs/dbraw/zinc/81/60/97/789816097.db2.gz NCRLVFXVHLSGHU-HAGHYFMRSA-N 1 2 338.451 2.463 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001032453036 789816102 /nfs/dbraw/zinc/81/61/02/789816102.db2.gz NCRLVFXVHLSGHU-HAGHYFMRSA-N 1 2 338.451 2.463 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(Br)s2)C1 ZINC000923593143 789830148 /nfs/dbraw/zinc/83/01/48/789830148.db2.gz JCEMPCLEBGJACW-JTQLQIEISA-N 1 2 327.247 2.338 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Br)s2)C1 ZINC000923593143 789830153 /nfs/dbraw/zinc/83/01/53/789830153.db2.gz JCEMPCLEBGJACW-JTQLQIEISA-N 1 2 327.247 2.338 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@]1(C)C[N@H+](CCOCC(F)F)CCO1 ZINC001108187347 789830329 /nfs/dbraw/zinc/83/03/29/789830329.db2.gz GAEDUDOELDARER-IRXDYDNUSA-N 1 2 348.434 2.078 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@]1(C)C[N@@H+](CCOCC(F)F)CCO1 ZINC001108187347 789830330 /nfs/dbraw/zinc/83/03/30/789830330.db2.gz GAEDUDOELDARER-IRXDYDNUSA-N 1 2 348.434 2.078 20 30 EEEDLO C#Cc1ccc(C[N@H+]2Cc3nccn3C[C@H](Cn3cccn3)C2)cc1 ZINC001144571493 789950775 /nfs/dbraw/zinc/95/07/75/789950775.db2.gz AKPIMEHYZHVSSH-LJQANCHMSA-N 1 2 331.423 2.393 20 30 EEEDLO C#Cc1ccc(C[N@@H+]2Cc3nccn3C[C@H](Cn3cccn3)C2)cc1 ZINC001144571493 789950780 /nfs/dbraw/zinc/95/07/80/789950780.db2.gz AKPIMEHYZHVSSH-LJQANCHMSA-N 1 2 331.423 2.393 20 30 EEEDLO C=CC1(CC(=O)NC[C@@H](O)CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001105891558 789968824 /nfs/dbraw/zinc/96/88/24/789968824.db2.gz GGLKUUKQCSOJLJ-HNNXBMFYSA-N 1 2 332.448 2.201 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CCN(c2cccc(F)c2C#N)C1 ZINC001062959942 790047785 /nfs/dbraw/zinc/04/77/85/790047785.db2.gz LMCZAYJVQHDQBV-CYBMUJFWSA-N 1 2 341.390 2.009 20 30 EEEDLO C#CCCCCC(=O)NC1(CNC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001063509342 791184773 /nfs/dbraw/zinc/18/47/73/791184773.db2.gz MANPXNUIPBBPIL-UHFFFAOYSA-N 1 2 344.459 2.012 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCCN2C(=O)c2cccc3[nH+]ccn32)cn1 ZINC001063532168 791248247 /nfs/dbraw/zinc/24/82/47/791248247.db2.gz QBKCALLPBYFJKR-MRXNPFEDSA-N 1 2 346.394 2.318 20 30 EEEDLO C#CCOCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cscn1 ZINC001099069260 791767701 /nfs/dbraw/zinc/76/77/01/791767701.db2.gz DFLFUYSAWYNZBL-INIZCTEOSA-N 1 2 349.500 2.290 20 30 EEEDLO C#CCOCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cscn1 ZINC001099069260 791767703 /nfs/dbraw/zinc/76/77/03/791767703.db2.gz DFLFUYSAWYNZBL-INIZCTEOSA-N 1 2 349.500 2.290 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)cs3)[C@@H]2C)nc1 ZINC001088988335 791829931 /nfs/dbraw/zinc/82/99/31/791829931.db2.gz POCJZBFACICKMU-HIFRSBDPSA-N 1 2 340.452 2.221 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)cs3)[C@@H]2C)nc1 ZINC001088988335 791829937 /nfs/dbraw/zinc/82/99/37/791829937.db2.gz POCJZBFACICKMU-HIFRSBDPSA-N 1 2 340.452 2.221 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3c(cn2)OCCC3)[C@H]1C ZINC001089008908 791884008 /nfs/dbraw/zinc/88/40/08/791884008.db2.gz JZAYHOGMACOBBI-OCCSQVGLSA-N 1 2 335.835 2.352 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3c(cn2)OCCC3)[C@H]1C ZINC001089008908 791884013 /nfs/dbraw/zinc/88/40/13/791884013.db2.gz JZAYHOGMACOBBI-OCCSQVGLSA-N 1 2 335.835 2.352 20 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ZINC001091698105 792261268 /nfs/dbraw/zinc/26/12/68/792261268.db2.gz GKTOSFRWUCWYFA-PXAZEXFGSA-N 1 2 345.834 2.104 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3cccc4nn[nH]c43)C[C@]2(C)C1 ZINC001091698105 792261276 /nfs/dbraw/zinc/26/12/76/792261276.db2.gz GKTOSFRWUCWYFA-PXAZEXFGSA-N 1 2 345.834 2.104 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc4nn[nH]c43)C[C@]2(C)C1 ZINC001091698105 792261285 /nfs/dbraw/zinc/26/12/85/792261285.db2.gz GKTOSFRWUCWYFA-PXAZEXFGSA-N 1 2 345.834 2.104 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC1(NC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001064106987 792416592 /nfs/dbraw/zinc/41/65/92/792416592.db2.gz DQPYXUXYDIDBOC-MRXNPFEDSA-N 1 2 346.475 2.421 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089122488 792495511 /nfs/dbraw/zinc/49/55/11/792495511.db2.gz KVNJUGSFDWTBIC-WBMJQRKESA-N 1 2 332.448 2.078 20 30 EEEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](Cc2cnon2)CC3)CC1 ZINC000992152949 792938040 /nfs/dbraw/zinc/93/80/40/792938040.db2.gz 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N#CCN1CC[C@@]2(NC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@H]12 ZINC000992361931 793808877 /nfs/dbraw/zinc/80/88/77/793808877.db2.gz HYENXMBZHBIKHS-HKUYNNGSSA-N 1 2 335.411 2.123 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccoc1Cl)c1nccn12 ZINC001092363949 793839456 /nfs/dbraw/zinc/83/94/56/793839456.db2.gz RIEJRELNSAMEHJ-CYBMUJFWSA-N 1 2 344.802 2.039 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC13CC3)c1nccn12 ZINC001092378522 793872755 /nfs/dbraw/zinc/87/27/55/793872755.db2.gz OFKREGILLLDKOW-HOTGVXAUSA-N 1 2 338.455 2.059 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC13CCCC3)c1nccn12 ZINC001092406736 793878706 /nfs/dbraw/zinc/87/87/06/793878706.db2.gz YJLHPBHJRSDJOK-CABCVRRESA-N 1 2 326.444 2.221 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc[nH]c1CCC)c1nccn12 ZINC001092388942 793884854 /nfs/dbraw/zinc/88/48/54/793884854.db2.gz OFRMVXMOYXWRAI-MRXNPFEDSA-N 1 2 339.443 2.235 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC(C)(C)C1)c1nccn12 ZINC001092392313 793889641 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C=CC[NH+]1CC(OC2CCN(C(=O)c3ccn(CC(C)C)n3)CC2)C1 ZINC001093541242 795348483 /nfs/dbraw/zinc/34/84/83/795348483.db2.gz YQGDMXJKLJCVKR-UHFFFAOYSA-N 1 2 346.475 2.031 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CC3CC(F)(F)C3)CC2)C1 ZINC001093546691 795361007 /nfs/dbraw/zinc/36/10/07/795361007.db2.gz RFIOFRZBOVFCPQ-UHFFFAOYSA-N 1 2 328.403 2.300 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3cnn(CCC)c3)CC2)C1 ZINC001093579197 795389330 /nfs/dbraw/zinc/38/93/30/795389330.db2.gz OQHAQLNVNQDWKQ-UHFFFAOYSA-N 1 2 346.475 2.175 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@H](C)[C@@H]3CCCO3)CC2)C1 ZINC001093591689 795404892 /nfs/dbraw/zinc/40/48/92/795404892.db2.gz MREVBOBFFWWVOF-YJBOKZPZSA-N 1 2 336.476 2.069 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cc(C4CC4)on3)CC2)C1 ZINC001093557598 795412416 /nfs/dbraw/zinc/41/24/16/795412416.db2.gz BHNIFJARXFDPHB-UHFFFAOYSA-N 1 2 331.416 2.043 20 30 EEEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occ3c1CCCC3)C2 ZINC001110034959 806423771 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345.491 2.374 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106553590 795834226 /nfs/dbraw/zinc/83/42/26/795834226.db2.gz RXKIZNWLNZBMGO-LIRRHRJNSA-N 1 2 345.491 2.374 20 30 EEEDLO Cc1nc(NCCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)ccc1C#N ZINC001094013579 795859037 /nfs/dbraw/zinc/85/90/37/795859037.db2.gz PYSVIENLPLBXEC-UHFFFAOYSA-N 1 2 346.394 2.289 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001080374541 795955021 /nfs/dbraw/zinc/95/50/21/795955021.db2.gz AJKPXMMZMOWJBJ-PIGZYNQJSA-N 1 2 342.374 2.244 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001080374541 795955028 /nfs/dbraw/zinc/95/50/28/795955028.db2.gz AJKPXMMZMOWJBJ-PIGZYNQJSA-N 1 2 342.374 2.244 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001080424318 795963008 /nfs/dbraw/zinc/96/30/08/795963008.db2.gz LDDILGBPMRHWKX-IUODEOHRSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001080424318 795963013 /nfs/dbraw/zinc/96/30/13/795963013.db2.gz LDDILGBPMRHWKX-IUODEOHRSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(CC)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001080465056 796036390 /nfs/dbraw/zinc/03/63/90/796036390.db2.gz SRXSYIWJYXHYQF-SFHVURJKSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C1CCC(C(=O)NCC[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001078216786 796092574 /nfs/dbraw/zinc/09/25/74/796092574.db2.gz CDFLYJNQGHKGDK-AWEZNQCLSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C1CCC(C(=O)NCC[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001078216786 796092582 /nfs/dbraw/zinc/09/25/82/796092582.db2.gz CDFLYJNQGHKGDK-AWEZNQCLSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3ccc(F)cc3C)nn2)C1 ZINC001094334061 796108239 /nfs/dbraw/zinc/10/82/39/796108239.db2.gz JRAFGIQOUYWVLJ-UHFFFAOYSA-N 1 2 343.406 2.088 20 30 EEEDLO C=C1CC(C)(C(=O)NCC[C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001078281666 796181621 /nfs/dbraw/zinc/18/16/21/796181621.db2.gz OUYPLXPFFYJKMZ-AWEZNQCLSA-N 1 2 340.427 2.315 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCO[C@H](C[NH2+][C@H](C)c2csnn2)C1 ZINC001078440942 796450633 /nfs/dbraw/zinc/45/06/33/796450633.db2.gz KHZVNSQLODJYHY-CHWSQXEVSA-N 1 2 338.477 2.018 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2-c2ccco2)C1 ZINC001080970764 796507402 /nfs/dbraw/zinc/50/74/02/796507402.db2.gz YMDPRMUPMSKQCN-ZWNOBZJWSA-N 1 2 334.807 2.472 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2-c2ccco2)C1 ZINC001080970764 796507405 /nfs/dbraw/zinc/50/74/05/796507405.db2.gz YMDPRMUPMSKQCN-ZWNOBZJWSA-N 1 2 334.807 2.472 20 30 EEEDLO C=CCCC(=O)N1CCC(CN(CC)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001081061716 796574571 /nfs/dbraw/zinc/57/45/71/796574571.db2.gz COGZQUJKHXRUSV-UHFFFAOYSA-N 1 2 332.448 2.006 20 30 EEEDLO Cc1ccc(C#N)c(NCCCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)n1 ZINC001094781751 796576816 /nfs/dbraw/zinc/57/68/16/796576816.db2.gz WEPIALRURBSLQE-AWEZNQCLSA-N 1 2 338.415 2.023 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccnc(OC)n3)[C@H]2C)C1 ZINC000993794173 796998788 /nfs/dbraw/zinc/99/87/88/796998788.db2.gz VSZJDIUOEIPIMG-GOEBONIOSA-N 1 2 344.459 2.311 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3ccnc(OC)n3)[C@H]2C)C1 ZINC000993794173 796998789 /nfs/dbraw/zinc/99/87/89/796998789.db2.gz VSZJDIUOEIPIMG-GOEBONIOSA-N 1 2 344.459 2.311 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CCC1(C)C ZINC001082043984 797116782 /nfs/dbraw/zinc/11/67/82/797116782.db2.gz VSZHFABRFWZXJM-ARFHVFGLSA-N 1 2 347.484 2.371 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CCC1(C)C ZINC001082043984 797116790 /nfs/dbraw/zinc/11/67/90/797116790.db2.gz VSZHFABRFWZXJM-ARFHVFGLSA-N 1 2 347.484 2.371 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001082178603 797266161 /nfs/dbraw/zinc/26/61/61/797266161.db2.gz LHZWDJRSBFORLV-HNNXBMFYSA-N 1 2 346.475 2.062 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001082235501 797335344 /nfs/dbraw/zinc/33/53/44/797335344.db2.gz FATVBEVCQMKHSQ-CVEARBPZSA-N 1 2 346.475 2.062 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001082261514 797381044 /nfs/dbraw/zinc/38/10/44/797381044.db2.gz RWOCKSPNIZWYHS-INIZCTEOSA-N 1 2 346.475 2.206 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2c3c(nn2C)CCC3)[C@H]1C ZINC000994212471 797393576 /nfs/dbraw/zinc/39/35/76/797393576.db2.gz PSMCGBCFCBTWLH-OCCSQVGLSA-N 1 2 336.867 2.244 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2c3c(nn2C)CCC3)[C@H]1C ZINC000994212471 797393585 /nfs/dbraw/zinc/39/35/85/797393585.db2.gz PSMCGBCFCBTWLH-OCCSQVGLSA-N 1 2 336.867 2.244 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095124833 797397809 /nfs/dbraw/zinc/39/78/09/797397809.db2.gz XSQNOLOLSRZAJA-MRXNPFEDSA-N 1 2 344.459 2.292 20 30 EEEDLO C[NH+]1CCN(c2cccc(Cl)c2CN=Nc2cnccn2)CC1 ZINC000915959687 797456878 /nfs/dbraw/zinc/45/68/78/797456878.db2.gz VRYGHVKZHCKZHD-UHFFFAOYSA-N 1 2 330.823 2.328 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)c(CCC)s2)[C@H](OC)C1 ZINC001082364505 797477771 /nfs/dbraw/zinc/47/77/71/797477771.db2.gz GDPHCPZSQJKMIR-HUUCEWRRSA-N 1 2 334.485 2.325 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)c(CCC)s2)[C@H](OC)C1 ZINC001082364505 797477774 /nfs/dbraw/zinc/47/77/74/797477774.db2.gz GDPHCPZSQJKMIR-HUUCEWRRSA-N 1 2 334.485 2.325 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3cc(F)ccc3s2)[C@H](OC)C1 ZINC001082365305 797479107 /nfs/dbraw/zinc/47/91/07/797479107.db2.gz ULLWWBQDKWTUJW-HUUCEWRRSA-N 1 2 346.427 2.493 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3cc(F)ccc3s2)[C@H](OC)C1 ZINC001082365305 797479110 /nfs/dbraw/zinc/47/91/10/797479110.db2.gz ULLWWBQDKWTUJW-HUUCEWRRSA-N 1 2 346.427 2.493 20 30 EEEDLO CC[C@]1(C(=O)OC)C[C@H]([NH2+][C@@H](C)CC#N)CN1C(=O)OC(C)(C)C ZINC001173526883 797515502 /nfs/dbraw/zinc/51/55/02/797515502.db2.gz ZKWGTEBAYGAYNF-GDZNZVCISA-N 1 2 339.436 2.209 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001095246387 797557686 /nfs/dbraw/zinc/55/76/86/797557686.db2.gz OIFUCXMMKQMHRW-ZDUSSCGKSA-N 1 2 342.447 2.369 20 30 EEEDLO CCN(CC)c1ccc(C=[NH+]NC(=S)NCCCOC)c(O)c1 ZINC000916279572 797570040 /nfs/dbraw/zinc/57/00/40/797570040.db2.gz CBVPTHMDUHHGDS-UHFFFAOYSA-N 1 2 338.477 2.073 20 30 EEEDLO Cc1csc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)n1 ZINC001095281752 797696475 /nfs/dbraw/zinc/69/64/75/797696475.db2.gz DXWVOIKZWRASIB-IPYPFGDCSA-N 1 2 341.440 2.187 20 30 EEEDLO Cc1csc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)n1 ZINC001095281752 797696477 /nfs/dbraw/zinc/69/64/77/797696477.db2.gz DXWVOIKZWRASIB-IPYPFGDCSA-N 1 2 341.440 2.187 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC(OC)C2)C1 ZINC001046948444 797727052 /nfs/dbraw/zinc/72/70/52/797727052.db2.gz HPIGQFTXGUBTHE-OTTFEQOBSA-N 1 2 336.810 2.237 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC(OC)C2)C1 ZINC001046948444 797727056 /nfs/dbraw/zinc/72/70/56/797727056.db2.gz HPIGQFTXGUBTHE-OTTFEQOBSA-N 1 2 336.810 2.237 20 30 EEEDLO Cc1nc(N2CC[C@H](NC(=O)C#CC(C)C)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC001112409714 797820351 /nfs/dbraw/zinc/82/03/51/797820351.db2.gz OWQAOKQCXGDRNN-GUYCJALGSA-N 1 2 328.460 2.392 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccnc2N(C)C)[C@H]1C ZINC000994397243 797934687 /nfs/dbraw/zinc/93/46/87/797934687.db2.gz CGYQUQRVCSRCSO-HIFRSBDPSA-N 1 2 336.867 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccnc2N(C)C)[C@H]1C ZINC000994397243 797934692 /nfs/dbraw/zinc/93/46/92/797934692.db2.gz CGYQUQRVCSRCSO-HIFRSBDPSA-N 1 2 336.867 2.483 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)c(CCC)s2)[C@@H](O)C1 ZINC001084047049 797963331 /nfs/dbraw/zinc/96/33/31/797963331.db2.gz XSLSYTSTZFPDTM-CABCVRRESA-N 1 2 334.485 2.061 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)c(CCC)s2)[C@@H](O)C1 ZINC001084047049 797963337 /nfs/dbraw/zinc/96/33/37/797963337.db2.gz XSLSYTSTZFPDTM-CABCVRRESA-N 1 2 334.485 2.061 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001061096733 798166089 /nfs/dbraw/zinc/16/60/89/798166089.db2.gz WTMRYDLQLUUZMI-KBPBESRZSA-N 1 2 341.390 2.433 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cnc(OC)nc3C)C[C@H]21 ZINC001084578071 798287418 /nfs/dbraw/zinc/28/74/18/798287418.db2.gz IORWUHYYVQJUIW-GDBMZVCRSA-N 1 2 344.459 2.039 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3cnc(OC)nc3C)C[C@H]21 ZINC001084578071 798287424 /nfs/dbraw/zinc/28/74/24/798287424.db2.gz IORWUHYYVQJUIW-GDBMZVCRSA-N 1 2 344.459 2.039 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4n[nH]cc4c3)[C@@H]2C1 ZINC001084616692 798316152 /nfs/dbraw/zinc/31/61/52/798316152.db2.gz YTSWOFHKJRYBNU-CZUORRHYSA-N 1 2 330.819 2.462 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4n[nH]cc4c3)[C@@H]2C1 ZINC001084616692 798316162 /nfs/dbraw/zinc/31/61/62/798316162.db2.gz YTSWOFHKJRYBNU-CZUORRHYSA-N 1 2 330.819 2.462 20 30 EEEDLO Cc1nocc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084626898 798322036 /nfs/dbraw/zinc/32/20/36/798322036.db2.gz DIHAOMHYQNLUAO-MLGOLLRUSA-N 1 2 342.424 2.263 20 30 EEEDLO Cc1nocc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001084626898 798322041 /nfs/dbraw/zinc/32/20/41/798322041.db2.gz DIHAOMHYQNLUAO-MLGOLLRUSA-N 1 2 342.424 2.263 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2nccn2CC)CC1 ZINC001002713033 798488420 /nfs/dbraw/zinc/48/84/20/798488420.db2.gz DJUGINZIRIHELU-UHFFFAOYSA-N 1 2 341.253 2.006 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)OCCCC)c2C1 ZINC001128245357 798496836 /nfs/dbraw/zinc/49/68/36/798496836.db2.gz NBVPPJBWQUIHKS-OAHLLOKOSA-N 1 2 334.464 2.096 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)OCCCC)c2C1 ZINC001128245357 798496838 /nfs/dbraw/zinc/49/68/38/798496838.db2.gz NBVPPJBWQUIHKS-OAHLLOKOSA-N 1 2 334.464 2.096 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)OC)C[C@@H]21 ZINC001084902668 798543087 /nfs/dbraw/zinc/54/30/87/798543087.db2.gz LMQCGUHHSXSSOZ-HZSPNIEDSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)OC)C[C@@H]21 ZINC001084902668 798543091 /nfs/dbraw/zinc/54/30/91/798543091.db2.gz LMQCGUHHSXSSOZ-HZSPNIEDSA-N 1 2 345.281 2.243 20 30 EEEDLO C[C@H](C#N)C(=O)NCc1cnn2c1C[N@@H+]([C@@H](C)c1ccccc1)CC2 ZINC001128264393 798572076 /nfs/dbraw/zinc/57/20/76/798572076.db2.gz MARVFOKKPSJXQP-CABCVRRESA-N 1 2 337.427 2.236 20 30 EEEDLO C[C@H](C#N)C(=O)NCc1cnn2c1C[N@H+]([C@@H](C)c1ccccc1)CC2 ZINC001128264393 798572083 /nfs/dbraw/zinc/57/20/83/798572083.db2.gz MARVFOKKPSJXQP-CABCVRRESA-N 1 2 337.427 2.236 20 30 EEEDLO C=CCCC(=O)NCc1cnn2c1C[N@H+](CCC[C@@H]1CCOC1)CC2 ZINC001128259831 798576053 /nfs/dbraw/zinc/57/60/53/798576053.db2.gz VIRVGUKGJFPLCW-MRXNPFEDSA-N 1 2 346.475 2.098 20 30 EEEDLO C=CCCC(=O)NCc1cnn2c1C[N@@H+](CCC[C@@H]1CCOC1)CC2 ZINC001128259831 798576055 /nfs/dbraw/zinc/57/60/55/798576055.db2.gz VIRVGUKGJFPLCW-MRXNPFEDSA-N 1 2 346.475 2.098 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC3CCCC3)C[C@H]21 ZINC001176887558 798614653 /nfs/dbraw/zinc/61/46/53/798614653.db2.gz MGNXKIBUJSWPKK-QZTJIDSGSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC3CCCC3)C[C@H]21 ZINC001176887558 798614655 /nfs/dbraw/zinc/61/46/55/798614655.db2.gz MGNXKIBUJSWPKK-QZTJIDSGSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CC(F)(F)C(F)F)C[C@@H]21 ZINC001177094023 798745785 /nfs/dbraw/zinc/74/57/85/798745785.db2.gz IHNRNSAUAJQWDF-RYUDHWBXSA-N 1 2 338.345 2.155 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CC(F)(F)C(F)F)C[C@@H]21 ZINC001177094023 798745788 /nfs/dbraw/zinc/74/57/88/798745788.db2.gz IHNRNSAUAJQWDF-RYUDHWBXSA-N 1 2 338.345 2.155 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3(CC#C)CCCCC3)C[C@@H]21 ZINC001177156245 798778855 /nfs/dbraw/zinc/77/88/55/798778855.db2.gz GALPHGGTZVERMQ-RBUKOAKNSA-N 1 2 342.483 2.285 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(CC#C)CCCCC3)C[C@@H]21 ZINC001177156245 798778860 /nfs/dbraw/zinc/77/88/60/798778860.db2.gz GALPHGGTZVERMQ-RBUKOAKNSA-N 1 2 342.483 2.285 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@H]2OCC[N@H+](CC3=CCCCC3)[C@@H]2C1 ZINC001177162033 798781964 /nfs/dbraw/zinc/78/19/64/798781964.db2.gz HVLQBKMVADKCPG-RTBURBONSA-N 1 2 348.487 2.381 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@H]2OCC[N@@H+](CC3=CCCCC3)[C@@H]2C1 ZINC001177162033 798781969 /nfs/dbraw/zinc/78/19/69/798781969.db2.gz HVLQBKMVADKCPG-RTBURBONSA-N 1 2 348.487 2.381 20 30 EEEDLO C#CCCCCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CCC)C2)CC1 ZINC001065682285 799338404 /nfs/dbraw/zinc/33/84/04/799338404.db2.gz DEGDSVFFGACDBM-GOSISDBHSA-N 1 2 347.503 2.115 20 30 EEEDLO C=C(C)CCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)/C(C)=C/CC)C2)CC1 ZINC001065691426 799365596 /nfs/dbraw/zinc/36/55/96/799365596.db2.gz KBQDQTRDWSLRJV-VNSQOFGGSA-N 1 2 347.503 2.444 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C(CC)CC)CC2)C1 ZINC001065691758 799366587 /nfs/dbraw/zinc/36/65/87/799366587.db2.gz MCHYOHYBGWZZJQ-QGZVFWFLSA-N 1 2 335.492 2.134 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC001065710880 799407829 /nfs/dbraw/zinc/40/78/29/799407829.db2.gz FFPZZBCRVSNGTI-ZFRNKKSCSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)CC(=C)C)C2)CC1 ZINC001065711174 799407926 /nfs/dbraw/zinc/40/79/26/799407926.db2.gz IWUIFAYBCNUGPL-ZWKOTPCHSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C3(CC)CC3)C2)CC1 ZINC001065713094 799413196 /nfs/dbraw/zinc/41/31/96/799413196.db2.gz LPMNBIMZPKBRIR-QGZVFWFLSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C[C@@H](C)C(F)(F)F)c2C1 ZINC001128467397 799744399 /nfs/dbraw/zinc/74/43/99/799744399.db2.gz SYSQMYWHIRKPPJ-GFCCVEGCSA-N 1 2 344.381 2.480 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C[C@@H](C)C(F)(F)F)c2C1 ZINC001128467397 799744402 /nfs/dbraw/zinc/74/44/02/799744402.db2.gz SYSQMYWHIRKPPJ-GFCCVEGCSA-N 1 2 344.381 2.480 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001061279878 799816917 /nfs/dbraw/zinc/81/69/17/799816917.db2.gz MOOBHYGQIDFMDC-RYRKJORJSA-N 1 2 344.459 2.193 20 30 EEEDLO C#Cc1cncc(C(=O)NC2CC[NH+]([C@@H](C)c3ncc(C)o3)CC2)c1 ZINC001003594065 799858655 /nfs/dbraw/zinc/85/86/55/799858655.db2.gz JQTDFAHIXMKRNW-AWEZNQCLSA-N 1 2 338.411 2.315 20 30 EEEDLO CC#CCCCC(=O)N1CC[C@H]([NH2+]Cc2nc(CCC)no2)[C@@H]1C ZINC001179359699 799895981 /nfs/dbraw/zinc/89/59/81/799895981.db2.gz DACWZAJGVYYXRV-GJZGRUSLSA-N 1 2 332.448 2.295 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](O)C1 ZINC001090021644 799913634 /nfs/dbraw/zinc/91/36/34/799913634.db2.gz BZFQJMWQKGGOMP-MOPGFXCFSA-N 1 2 341.455 2.190 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](O)C1 ZINC001090021644 799913641 /nfs/dbraw/zinc/91/36/41/799913641.db2.gz BZFQJMWQKGGOMP-MOPGFXCFSA-N 1 2 341.455 2.190 20 30 EEEDLO C=C1CCC(C(=O)NCc2cnn3c2C[N@H+](CCCOC)CC3)CC1 ZINC001128475470 799924399 /nfs/dbraw/zinc/92/43/99/799924399.db2.gz AAHLGKLITGZFKJ-UHFFFAOYSA-N 1 2 346.475 2.098 20 30 EEEDLO C=C1CCC(C(=O)NCc2cnn3c2C[N@@H+](CCCOC)CC3)CC1 ZINC001128475470 799924402 /nfs/dbraw/zinc/92/44/02/799924402.db2.gz AAHLGKLITGZFKJ-UHFFFAOYSA-N 1 2 346.475 2.098 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)c2nc(C)no2)CC1 ZINC001003780629 800161263 /nfs/dbraw/zinc/16/12/63/800161263.db2.gz UHPZAJWAEOZPPD-KCXAZCMYSA-N 1 2 348.447 2.001 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001066217386 800179620 /nfs/dbraw/zinc/17/96/20/800179620.db2.gz LLTHTTOSISIJFF-HUUCEWRRSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001066217386 800179622 /nfs/dbraw/zinc/17/96/22/800179622.db2.gz LLTHTTOSISIJFF-HUUCEWRRSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)C2(C)CCOCC2)CC1 ZINC001003794587 800192320 /nfs/dbraw/zinc/19/23/20/800192320.db2.gz CBACVBORNHUEHK-UHFFFAOYSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001066226004 800212528 /nfs/dbraw/zinc/21/25/28/800212528.db2.gz NMZAQKNOIKROTL-MRXNPFEDSA-N 1 2 346.475 2.206 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)[nH]n1 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/nfs/dbraw/zinc/19/65/89/801196589.db2.gz RLCPOXXARUGXKL-QAPCUYQASA-N 1 2 334.423 2.365 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001182898234 801392727 /nfs/dbraw/zinc/39/27/27/801392727.db2.gz SDCSRRZKBSCFBR-SNVBAGLBSA-N 1 2 328.363 2.300 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)cn1 ZINC001085932870 801690164 /nfs/dbraw/zinc/69/01/64/801690164.db2.gz KHNQDQYXDFQFRV-NRFANRHFSA-N 1 2 343.430 2.261 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2CC#Cc2ccccc2)cn1 ZINC001085932870 801690167 /nfs/dbraw/zinc/69/01/67/801690167.db2.gz KHNQDQYXDFQFRV-NRFANRHFSA-N 1 2 343.430 2.261 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCc2n[nH]cc2C1 ZINC001183829295 801760845 /nfs/dbraw/zinc/76/08/45/801760845.db2.gz SVOGJYYEHSRUOZ-LJQANCHMSA-N 1 2 349.438 2.221 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCc2n[nH]cc2C1 ZINC001183829295 801760852 /nfs/dbraw/zinc/76/08/52/801760852.db2.gz SVOGJYYEHSRUOZ-LJQANCHMSA-N 1 2 349.438 2.221 20 30 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EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2c(F)cccc2Cl)C1 ZINC001108359826 803369319 /nfs/dbraw/zinc/36/93/19/803369319.db2.gz JARTYSZTONFBMF-MRXNPFEDSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001033235065 803445341 /nfs/dbraw/zinc/44/53/41/803445341.db2.gz KFLXGZVSISQVFR-OAHLLOKOSA-N 1 2 347.846 2.104 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001033235065 803445345 /nfs/dbraw/zinc/44/53/45/803445345.db2.gz KFLXGZVSISQVFR-OAHLLOKOSA-N 1 2 347.846 2.104 20 30 EEEDLO CCOC(=O)c1cnc(NCCc2cn3ccccc3[nH+]2)c(C#N)c1 ZINC001169005045 803567937 /nfs/dbraw/zinc/56/79/37/803567937.db2.gz OTDBHXDQROLJAL-UHFFFAOYSA-N 1 2 335.367 2.432 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C(C)(C)C(C)(C)C)CC2=O)C1 ZINC001108564187 804100183 /nfs/dbraw/zinc/10/01/83/804100183.db2.gz DTXUTKJVFGLCEW-CQSZACIVSA-N 1 2 335.492 2.036 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)n1 ZINC001108778058 804498352 /nfs/dbraw/zinc/49/83/52/804498352.db2.gz VAHHNMRXXCEURE-LBPRGKRZSA-N 1 2 334.383 2.368 20 30 EEEDLO CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109034130 804838807 /nfs/dbraw/zinc/83/88/07/804838807.db2.gz KUYQQGRORSXBOE-SQNIBIBYSA-N 1 2 327.428 2.206 20 30 EEEDLO CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109034130 804838812 /nfs/dbraw/zinc/83/88/12/804838812.db2.gz KUYQQGRORSXBOE-SQNIBIBYSA-N 1 2 327.428 2.206 20 30 EEEDLO Cc1cc(N[C@H](C)[C@H](C)NC(=O)c2c[nH]c(C#N)c2)nc(C2CC2)[nH+]1 ZINC001112973023 807738945 /nfs/dbraw/zinc/73/89/45/807738945.db2.gz DOXRHUSMUACFHT-NEPJUHHUSA-N 1 2 338.415 2.481 20 30 EEEDLO Cn1cc[nH+]c1NN=Cc1cccc(I)c1 ZINC000789054672 807837039 /nfs/dbraw/zinc/83/70/39/807837039.db2.gz OWHRRJHSDKXQJU-UHFFFAOYSA-N 1 2 326.141 2.471 20 30 EEEDLO Cc1cc(N[C@H](C)[C@H](C)NC(=O)c2cc(C#N)c[nH]2)nc(C2CC2)[nH+]1 ZINC001113014745 807845989 /nfs/dbraw/zinc/84/59/89/807845989.db2.gz LDUXDUUDHMHSFU-NEPJUHHUSA-N 1 2 338.415 2.481 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnc3c(F)cccc3c2)CC1 ZINC001113111065 808141540 /nfs/dbraw/zinc/14/15/40/808141540.db2.gz FBLGIRDMBQJDOC-UHFFFAOYSA-N 1 2 343.402 2.334 20 30 EEEDLO CC(C)N(C)c1ccc(C=[NH+]Nc2ccc(S(N)(=O)=O)cc2)cn1 ZINC000790136604 808423677 /nfs/dbraw/zinc/42/36/77/808423677.db2.gz NQXWVNFDZVGFNX-UHFFFAOYSA-N 1 2 347.444 2.020 20 30 EEEDLO C=CCCC1(C(=O)N2CC[NH+](CCn3nc(C)cc3C)CC2)CC1 ZINC001113312552 808704299 /nfs/dbraw/zinc/70/42/99/808704299.db2.gz BJJMXLYUYFCHOY-UHFFFAOYSA-N 1 2 330.476 2.391 20 30 EEEDLO C=CCCC(=O)N(C)CC(C)(C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001113406754 808918464 /nfs/dbraw/zinc/91/84/64/808918464.db2.gz YUHSAUBYXVIRHQ-UHFFFAOYSA-N 1 2 345.491 2.327 20 30 EEEDLO C=CCCC(=O)N(C)CC(C)(C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001113406754 808918472 /nfs/dbraw/zinc/91/84/72/808918472.db2.gz YUHSAUBYXVIRHQ-UHFFFAOYSA-N 1 2 345.491 2.327 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cncc(C(F)(F)F)c2)CC1 ZINC001113490795 809089240 /nfs/dbraw/zinc/08/92/40/809089240.db2.gz DGBMBXGPJLCSPJ-UHFFFAOYSA-N 1 2 343.349 2.061 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2C)[C@H](O)C1 ZINC001090454518 809288870 /nfs/dbraw/zinc/28/88/70/809288870.db2.gz ALWCXQPFBMZFSM-HUUCEWRRSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2C)[C@H](O)C1 ZINC001090454518 809288874 /nfs/dbraw/zinc/28/88/74/809288874.db2.gz ALWCXQPFBMZFSM-HUUCEWRRSA-N 1 2 326.799 2.052 20 30 EEEDLO C=CCC1(C(=O)N2CC[NH+](CCc3cnn(C)c3)CC2)CCCC1 ZINC001113745118 809700356 /nfs/dbraw/zinc/70/03/56/809700356.db2.gz YYRMTTJSDRRPFC-UHFFFAOYSA-N 1 2 330.476 2.243 20 30 EEEDLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(C)c1cccc(F)c1C#N ZINC001113957796 810113110 /nfs/dbraw/zinc/11/31/10/810113110.db2.gz MBALKUZERWNKSZ-YNEHKIRRSA-N 1 2 341.390 2.165 20 30 EEEDLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(C)c1cccc(F)c1C#N ZINC001113957796 810113111 /nfs/dbraw/zinc/11/31/11/810113111.db2.gz MBALKUZERWNKSZ-YNEHKIRRSA-N 1 2 341.390 2.165 20 30 EEEDLO Cc1nc(N(C)[C@@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)ccc1C#N ZINC001113970096 810130804 /nfs/dbraw/zinc/13/08/04/810130804.db2.gz IMDRQUAQDNBBEO-LBPRGKRZSA-N 1 2 348.410 2.393 20 30 EEEDLO CN(C)c1ccc(C=[NH+]Nc2ccccc2S(=O)(=O)N(C)C)cc1 ZINC000793181657 810177354 /nfs/dbraw/zinc/17/73/54/810177354.db2.gz WSTYTNKRGUPCOF-UHFFFAOYSA-N 1 2 346.456 2.449 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3C(=O)C[C@@H]3c3ccccc3)C2)nc1 ZINC000793592555 810424656 /nfs/dbraw/zinc/42/46/56/810424656.db2.gz RZIHJHAZXUWNEC-QZTJIDSGSA-N 1 2 348.406 2.337 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3C(=O)C[C@@H]3c3ccccc3)C2)nc1 ZINC000793592555 810424664 /nfs/dbraw/zinc/42/46/64/810424664.db2.gz RZIHJHAZXUWNEC-QZTJIDSGSA-N 1 2 348.406 2.337 20 30 EEEDLO CCCC[C@@H](CNc1ncccc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001114274309 810729273 /nfs/dbraw/zinc/72/92/73/810729273.db2.gz DVIMWUOTEIUYOH-AWEZNQCLSA-N 1 2 326.404 2.006 20 30 EEEDLO C=CCCOCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]21 ZINC001114283456 810754663 /nfs/dbraw/zinc/75/46/63/810754663.db2.gz UASYNMSOVDQGPQ-DZFIZOCASA-N 1 2 347.459 2.292 20 30 EEEDLO C=CCCOCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C)on3)C[C@H]21 ZINC001114283456 810754665 /nfs/dbraw/zinc/75/46/65/810754665.db2.gz UASYNMSOVDQGPQ-DZFIZOCASA-N 1 2 347.459 2.292 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)O[C@@]2(CC[N@H+](Cc3nocc3C)C2)C1 ZINC001131650929 813081618 /nfs/dbraw/zinc/08/16/18/813081618.db2.gz YNIIUSMLJDJUPE-MAUKXSAKSA-N 1 2 333.432 2.141 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)O[C@@]2(CC[N@@H+](Cc3nocc3C)C2)C1 ZINC001131650929 813081620 /nfs/dbraw/zinc/08/16/20/813081620.db2.gz YNIIUSMLJDJUPE-MAUKXSAKSA-N 1 2 333.432 2.141 20 30 EEEDLO CCOCC1(C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC001437486690 1089850037 /nfs/dbraw/zinc/85/00/37/1089850037.db2.gz YARNCMPXJNHELY-UHFFFAOYSA-N 1 2 333.407 2.062 20 30 EEEDLO CCOCC1(C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC001437486690 1089850053 /nfs/dbraw/zinc/85/00/53/1089850053.db2.gz YARNCMPXJNHELY-UHFFFAOYSA-N 1 2 333.407 2.062 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1c[nH]nc1-c1cccnc1 ZINC001438922749 1091590028 /nfs/dbraw/zinc/59/00/28/1091590028.db2.gz RFOGMYYWMFBHQG-UHFFFAOYSA-N 1 2 333.823 2.228 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1c[nH]nc1-c1cccnc1 ZINC001438922749 1091590032 /nfs/dbraw/zinc/59/00/32/1091590032.db2.gz RFOGMYYWMFBHQG-UHFFFAOYSA-N 1 2 333.823 2.228 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC001441038953 1094332108 /nfs/dbraw/zinc/33/21/08/1094332108.db2.gz SARDEPDIAZZJIJ-NSHDSACASA-N 1 2 336.823 2.082 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC001441038953 1094332113 /nfs/dbraw/zinc/33/21/13/1094332113.db2.gz SARDEPDIAZZJIJ-NSHDSACASA-N 1 2 336.823 2.082 20 30 EEEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)C2(CC)CCC2)CC1 ZINC001443283287 1097768699 /nfs/dbraw/zinc/76/86/99/1097768699.db2.gz ILQOLXJFNJTLJN-UHFFFAOYSA-N 1 2 327.900 2.395 20 30 EEEDLO CCc1nnc([C@@H](C)[NH2+]Cc2ccc(CNC(=O)[C@H](C)C#N)cc2)o1 ZINC001444198208 1098751760 /nfs/dbraw/zinc/75/17/60/1098751760.db2.gz GNLXCIYALMDBGZ-CHWSQXEVSA-N 1 2 341.415 2.259 20 30 EEEDLO N#Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)C(F)C(F)(F)F)C2)c1 ZINC001480139802 1099705281 /nfs/dbraw/zinc/70/52/81/1099705281.db2.gz BDOTXVYZDNQKHS-AVGNSLFASA-N 1 2 329.297 2.195 20 30 EEEDLO N#Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](F)C(F)(F)F)C2)c1 ZINC001480139802 1099705289 /nfs/dbraw/zinc/70/52/89/1099705289.db2.gz BDOTXVYZDNQKHS-AVGNSLFASA-N 1 2 329.297 2.195 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC001448101237 1104003444 /nfs/dbraw/zinc/00/34/44/1104003444.db2.gz IUCSNIFQCXVSNH-GFCCVEGCSA-N 1 2 337.851 2.469 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC001448101237 1104003453 /nfs/dbraw/zinc/00/34/53/1104003453.db2.gz IUCSNIFQCXVSNH-GFCCVEGCSA-N 1 2 337.851 2.469 20 30 EEEDLO Cc1cc(C)c(C(=O)N2CC[C@@](C)(CNC(=O)[C@H](C)C#N)C2)c(C)[nH+]1 ZINC001453964630 1106620735 /nfs/dbraw/zinc/62/07/35/1106620735.db2.gz SDXTYCOKEFTKPN-YJYMSZOUSA-N 1 2 342.443 2.135 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cccc(-n2cccn2)n1 ZINC001493021287 1107316874 /nfs/dbraw/zinc/31/68/74/1107316874.db2.gz ILECABRGZFJZOJ-UHFFFAOYSA-N 1 2 333.823 2.072 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cccc(-n2cccn2)n1 ZINC001493021287 1107316890 /nfs/dbraw/zinc/31/68/90/1107316890.db2.gz ILECABRGZFJZOJ-UHFFFAOYSA-N 1 2 333.823 2.072 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)n1 ZINC001462420787 1110357446 /nfs/dbraw/zinc/35/74/46/1110357446.db2.gz JLCWMFJSLLFMAN-VQTJNVASSA-N 1 2 334.423 2.038 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)n1 ZINC001462420787 1110357448 /nfs/dbraw/zinc/35/74/48/1110357448.db2.gz JLCWMFJSLLFMAN-VQTJNVASSA-N 1 2 334.423 2.038 20 30 EEEDLO N#Cc1cccc(CN2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)n1 ZINC001462420787 1110357450 /nfs/dbraw/zinc/35/74/50/1110357450.db2.gz JLCWMFJSLLFMAN-VQTJNVASSA-N 1 2 334.423 2.038 20 30 EEEDLO N#Cc1cccc(CN2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)n1 ZINC001462420787 1110357452 /nfs/dbraw/zinc/35/74/52/1110357452.db2.gz JLCWMFJSLLFMAN-VQTJNVASSA-N 1 2 334.423 2.038 20 30 EEEDLO CC[C@H]1C[N@H+](CCNc2nc(Br)ccc2C#N)CCO1 ZINC001548516410 1113921927 /nfs/dbraw/zinc/92/19/27/1113921927.db2.gz VWNXRIBUOVYUGK-LBPRGKRZSA-N 1 2 339.237 2.238 20 30 EEEDLO CC[C@H]1C[N@@H+](CCNc2nc(Br)ccc2C#N)CCO1 ZINC001548516410 1113921930 /nfs/dbraw/zinc/92/19/30/1113921930.db2.gz VWNXRIBUOVYUGK-LBPRGKRZSA-N 1 2 339.237 2.238 20 30 EEEDLO CC[C@@H]1C[N@H+](CCNc2nc(Br)ccc2C#N)CCO1 ZINC001548516406 1113922239 /nfs/dbraw/zinc/92/22/39/1113922239.db2.gz VWNXRIBUOVYUGK-GFCCVEGCSA-N 1 2 339.237 2.238 20 30 EEEDLO CC[C@@H]1C[N@@H+](CCNc2nc(Br)ccc2C#N)CCO1 ZINC001548516406 1113922242 /nfs/dbraw/zinc/92/22/42/1113922242.db2.gz VWNXRIBUOVYUGK-GFCCVEGCSA-N 1 2 339.237 2.238 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(C(F)F)n2Cc2cccs2)CC1 ZINC001515075086 1118933506 /nfs/dbraw/zinc/93/35/06/1118933506.db2.gz 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/nfs/dbraw/zinc/97/87/04/161978704.db2.gz UDSWDROHBPWWRT-QGZVFWFLSA-N 1 2 338.411 2.447 20 30 EEEDLO CN1CC[N@H+](C)[C@H](CNc2c(C#N)cnc3c(F)cc(F)cc32)C1 ZINC000352325109 162088079 /nfs/dbraw/zinc/08/80/79/162088079.db2.gz MZINCPMNYCEOBX-CYBMUJFWSA-N 1 2 331.370 2.042 20 30 EEEDLO CN1CC[N@@H+](C)[C@H](CNc2c(C#N)cnc3c(F)cc(F)cc32)C1 ZINC000352325109 162088081 /nfs/dbraw/zinc/08/80/81/162088081.db2.gz MZINCPMNYCEOBX-CYBMUJFWSA-N 1 2 331.370 2.042 20 30 EEEDLO CC(C)(C)NC(=O)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000360299568 164279249 /nfs/dbraw/zinc/27/92/49/164279249.db2.gz KFASNVAPFQPKNU-UHFFFAOYSA-N 1 2 330.432 2.063 20 30 EEEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](n3cccn3)C2)c(C#N)c1C ZINC000368262566 166079165 /nfs/dbraw/zinc/07/91/65/166079165.db2.gz YVXINULXYZJXEL-ZDUSSCGKSA-N 1 2 329.429 2.319 20 30 EEEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](n3cccn3)C2)c(C#N)c1C ZINC000368262566 166079166 /nfs/dbraw/zinc/07/91/66/166079166.db2.gz YVXINULXYZJXEL-ZDUSSCGKSA-N 1 2 329.429 2.319 20 30 EEEDLO Cc1cc(S(=O)(=O)N(C)Cc2cn3c([nH+]2)CCCC3)ccc1C#N ZINC000375516018 167152091 /nfs/dbraw/zinc/15/20/91/167152091.db2.gz XERRNMHXVHZFLH-UHFFFAOYSA-N 1 2 344.440 2.220 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286540722 268308645 /nfs/dbraw/zinc/30/86/45/268308645.db2.gz OFGAFRRXCUOXTH-WDEREUQCSA-N 1 2 347.362 2.051 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286540722 268308651 /nfs/dbraw/zinc/30/86/51/268308651.db2.gz OFGAFRRXCUOXTH-WDEREUQCSA-N 1 2 347.362 2.051 20 30 EEEDLO N#Cc1ccc(CNc2cccc(C[N@@H+]3CCNC(=O)C3)c2)c(F)c1 ZINC000291048019 275264589 /nfs/dbraw/zinc/26/45/89/275264589.db2.gz HVYFCCIOOMEJQZ-UHFFFAOYSA-N 1 2 338.386 2.241 20 30 EEEDLO N#Cc1ccc(CNc2cccc(C[N@H+]3CCNC(=O)C3)c2)c(F)c1 ZINC000291048019 275264591 /nfs/dbraw/zinc/26/45/91/275264591.db2.gz HVYFCCIOOMEJQZ-UHFFFAOYSA-N 1 2 338.386 2.241 20 30 EEEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Nc3cc(C)cc(C#N)c3)C2)CC1 ZINC000456003534 276197400 /nfs/dbraw/zinc/19/74/00/276197400.db2.gz NUGVGCZCNMSJHG-GOSISDBHSA-N 1 2 341.459 2.110 20 30 EEEDLO COC(=O)c1cccc(C[NH+]2CCC(CC(=O)N(C)C)CC2)c1C#N ZINC000542822776 318143962 /nfs/dbraw/zinc/14/39/62/318143962.db2.gz GUHOBHAVQCIISS-UHFFFAOYSA-N 1 2 343.427 2.035 20 30 EEEDLO COc1cc(C#N)ccc1NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000546002164 318239397 /nfs/dbraw/zinc/23/93/97/318239397.db2.gz BBVGKXNGVRTAHX-AWEZNQCLSA-N 1 2 325.372 2.460 20 30 EEEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000184833080 323427851 /nfs/dbraw/zinc/42/78/51/323427851.db2.gz LPRUWBLDMIMRSS-ZDUSSCGKSA-N 1 2 334.383 2.393 20 30 EEEDLO N#Cc1cc(F)ccc1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000192472491 323479018 /nfs/dbraw/zinc/47/90/18/323479018.db2.gz HEVQGEDAQJNJQA-UHFFFAOYSA-N 1 2 339.374 2.442 20 30 EEEDLO O=C(NC[C@@H]1CCCC(F)(F)C1)NCC1([NH+]2CCOCC2)CC1 ZINC000328632869 465081346 /nfs/dbraw/zinc/08/13/46/465081346.db2.gz APMZAFDYQGKQKS-CYBMUJFWSA-N 1 2 331.407 2.180 20 30 EEEDLO Cc1cccc(C)c1NC(=O)C[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000341338287 465118651 /nfs/dbraw/zinc/11/86/51/465118651.db2.gz BJEAFHKACKADLH-UHFFFAOYSA-N 1 2 349.438 2.331 20 30 EEEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)C1 ZINC000328854923 465147748 /nfs/dbraw/zinc/14/77/48/465147748.db2.gz TUTUPPXPXNRHPA-VHSXEESVSA-N 1 2 331.367 2.371 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2cc(C)cc(C)c2)C1=O ZINC000337231777 465257955 /nfs/dbraw/zinc/25/79/55/465257955.db2.gz UXHQBYGTFPLXLZ-WBVHZDCISA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2cc(C)cc(C)c2)C1=O ZINC000337231777 465257960 /nfs/dbraw/zinc/25/79/60/465257960.db2.gz UXHQBYGTFPLXLZ-WBVHZDCISA-N 1 2 329.444 2.349 20 30 EEEDLO CC[C@](C)(C#N)C(=O)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000355687409 465265171 /nfs/dbraw/zinc/26/51/71/465265171.db2.gz VCHIWISSCXBYRV-YQVWRLOYSA-N 1 2 327.428 2.038 20 30 EEEDLO CC[C@](C)(C#N)C(=O)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000355687409 465265176 /nfs/dbraw/zinc/26/51/76/465265176.db2.gz VCHIWISSCXBYRV-YQVWRLOYSA-N 1 2 327.428 2.038 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000341980662 465281827 /nfs/dbraw/zinc/28/18/27/465281827.db2.gz ARSXXAXIRQPZNK-UHFFFAOYSA-N 1 2 327.428 2.366 20 30 EEEDLO Cc1nc(CN(C)[C@H]2CCC[N@H+](Cc3nc(C#N)cs3)CC2)no1 ZINC000356311393 465306299 /nfs/dbraw/zinc/30/62/99/465306299.db2.gz YYZNAKKHZFVIGY-AWEZNQCLSA-N 1 2 346.460 2.193 20 30 EEEDLO Cc1nc(CN(C)[C@H]2CCC[N@@H+](Cc3nc(C#N)cs3)CC2)no1 ZINC000356311393 465306308 /nfs/dbraw/zinc/30/63/08/465306308.db2.gz YYZNAKKHZFVIGY-AWEZNQCLSA-N 1 2 346.460 2.193 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(Cc3nc(C#N)cs3)CC2)no1 ZINC000356311393 465306312 /nfs/dbraw/zinc/30/63/12/465306312.db2.gz YYZNAKKHZFVIGY-AWEZNQCLSA-N 1 2 346.460 2.193 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(Cc3nc(C#N)cs3)CC2)no1 ZINC000356311393 465306321 /nfs/dbraw/zinc/30/63/21/465306321.db2.gz YYZNAKKHZFVIGY-AWEZNQCLSA-N 1 2 346.460 2.193 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000496498006 468288096 /nfs/dbraw/zinc/28/80/96/468288096.db2.gz HBIZHTZKFMDSPT-ZDUSSCGKSA-N 1 2 346.431 2.342 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000496498006 468288102 /nfs/dbraw/zinc/28/81/02/468288102.db2.gz HBIZHTZKFMDSPT-ZDUSSCGKSA-N 1 2 346.431 2.342 20 30 EEEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCSC[C@H]1c1nccs1 ZINC000329724830 465416566 /nfs/dbraw/zinc/41/65/66/465416566.db2.gz GANASNSWBIBTDN-MFKMUULPSA-N 1 2 349.485 2.428 20 30 EEEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCSC[C@H]1c1nccs1 ZINC000329724830 465416568 /nfs/dbraw/zinc/41/65/68/465416568.db2.gz GANASNSWBIBTDN-MFKMUULPSA-N 1 2 349.485 2.428 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000127413502 462550355 /nfs/dbraw/zinc/55/03/55/462550355.db2.gz VABWZQNHGKXVIX-LSDHHAIUSA-N 1 2 348.443 2.099 20 30 EEEDLO CCn1nccc1/C=C/C(=O)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000152619232 462558277 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/nfs/dbraw/zinc/10/44/26/463104426.db2.gz JCJVFIKODJFPBW-SFHVURJKSA-N 1 2 329.444 2.444 20 30 EEEDLO C=CC[N@@H+](C)CC(=O)Nc1c(C(=O)OCC)cnn1-c1ccccc1 ZINC000121431516 463135319 /nfs/dbraw/zinc/13/53/19/463135319.db2.gz JULHTKQFXYJLHA-UHFFFAOYSA-N 1 2 342.399 2.105 20 30 EEEDLO C=CC[N@H+](C)CC(=O)Nc1c(C(=O)OCC)cnn1-c1ccccc1 ZINC000121431516 463135323 /nfs/dbraw/zinc/13/53/23/463135323.db2.gz JULHTKQFXYJLHA-UHFFFAOYSA-N 1 2 342.399 2.105 20 30 EEEDLO C=CCN(CC=C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000079419974 463212862 /nfs/dbraw/zinc/21/28/62/463212862.db2.gz LABLJCOQGVPAHP-SFHVURJKSA-N 1 2 329.444 2.444 20 30 EEEDLO N#CCC[C@H](C#N)C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000028917366 463236736 /nfs/dbraw/zinc/23/67/36/463236736.db2.gz FEQMTXSQFWZMNO-OAHLLOKOSA-N 1 2 328.391 2.417 20 30 EEEDLO N#CCC[C@H](C#N)C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000028917366 463236741 /nfs/dbraw/zinc/23/67/41/463236741.db2.gz FEQMTXSQFWZMNO-OAHLLOKOSA-N 1 2 328.391 2.417 20 30 EEEDLO N#Cc1ccccc1OCC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000030012164 463284563 /nfs/dbraw/zinc/28/45/63/463284563.db2.gz UGOQXZQOMLQDFG-UHFFFAOYSA-N 1 2 336.395 2.249 20 30 EEEDLO CCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000123881553 463375730 /nfs/dbraw/zinc/37/57/30/463375730.db2.gz SAWBHVRPOSZFKQ-UHFFFAOYSA-N 1 2 339.399 2.151 20 30 EEEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(Oc3ccccn3)CC2)c1 ZINC000039306208 463450650 /nfs/dbraw/zinc/45/06/50/463450650.db2.gz IYOWOCSSDUYAGT-UHFFFAOYSA-N 1 2 336.395 2.435 20 30 EEEDLO CC(C)OCc1cccc(CNC(=O)C[NH+]2CCC(C#N)CC2)c1 ZINC000057874256 463526315 /nfs/dbraw/zinc/52/63/15/463526315.db2.gz LBWNSWREZZORBI-UHFFFAOYSA-N 1 2 329.444 2.463 20 30 EEEDLO CC1(C)CN(S(=O)(=O)CC2(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000165204873 463642034 /nfs/dbraw/zinc/64/20/34/463642034.db2.gz UNIGBWQTPUEQGF-UHFFFAOYSA-N 1 2 347.484 2.216 20 30 EEEDLO CC1(C)CN(S(=O)(=O)CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000165204873 463642036 /nfs/dbraw/zinc/64/20/36/463642036.db2.gz UNIGBWQTPUEQGF-UHFFFAOYSA-N 1 2 347.484 2.216 20 30 EEEDLO N#Cc1ccc(NCc2cccc(OCC[NH+]3CCOCC3)c2)nc1 ZINC000060102971 463648608 /nfs/dbraw/zinc/64/86/08/463648608.db2.gz MUJCDWROJPVTBD-UHFFFAOYSA-N 1 2 338.411 2.276 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152284193 463671247 /nfs/dbraw/zinc/67/12/47/463671247.db2.gz BMNUNYFLWDTZBC-HNNXBMFYSA-N 1 2 329.448 2.062 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152284193 463671251 /nfs/dbraw/zinc/67/12/51/463671251.db2.gz BMNUNYFLWDTZBC-HNNXBMFYSA-N 1 2 329.448 2.062 20 30 EEEDLO Cc1cccc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1Cl ZINC000277355900 463912979 /nfs/dbraw/zinc/91/29/79/463912979.db2.gz WDAPBCFEEOHLHC-UHFFFAOYSA-N 1 2 349.862 2.265 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(C(F)(F)F)cn1 ZINC000277794047 463932085 /nfs/dbraw/zinc/93/20/85/463932085.db2.gz SVXIHZOHJYJYOU-UHFFFAOYSA-N 1 2 342.365 2.148 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(OCC)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000278445943 463965037 /nfs/dbraw/zinc/96/50/37/463965037.db2.gz MJYSTGBJHHRIGJ-AWEZNQCLSA-N 1 2 327.421 2.400 20 30 EEEDLO C=CC[N@H+](Cc1ccc(OCC)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000278445943 463965041 /nfs/dbraw/zinc/96/50/41/463965041.db2.gz MJYSTGBJHHRIGJ-AWEZNQCLSA-N 1 2 327.421 2.400 20 30 EEEDLO CNC(=O)[C@@H]1CCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000178922176 464015861 /nfs/dbraw/zinc/01/58/61/464015861.db2.gz ZYZCFNICWYFAEQ-AWEZNQCLSA-N 1 2 326.318 2.147 20 30 EEEDLO CNC(=O)[C@@H]1CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000178922176 464015866 /nfs/dbraw/zinc/01/58/66/464015866.db2.gz ZYZCFNICWYFAEQ-AWEZNQCLSA-N 1 2 326.318 2.147 20 30 EEEDLO C#C[C@@H](NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)C(C)(C)C ZINC000288453793 464045817 /nfs/dbraw/zinc/04/58/17/464045817.db2.gz FWEJCIYXRYOTTQ-GOEBONIOSA-N 1 2 344.459 2.154 20 30 EEEDLO Cc1cccnc1OC1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000279178733 464053991 /nfs/dbraw/zinc/05/39/91/464053991.db2.gz CRBMJZMPVYKHLP-LJQANCHMSA-N 1 2 344.459 2.288 20 30 EEEDLO COCCOCC[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000288731064 464057830 /nfs/dbraw/zinc/05/78/30/464057830.db2.gz DYLASYMEXAGHPK-UHFFFAOYSA-N 1 2 327.222 2.416 20 30 EEEDLO COCCOCC[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000288731064 464057837 /nfs/dbraw/zinc/05/78/37/464057837.db2.gz DYLASYMEXAGHPK-UHFFFAOYSA-N 1 2 327.222 2.416 20 30 EEEDLO Cc1cccnc1OC1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000279307211 464086994 /nfs/dbraw/zinc/08/69/94/464086994.db2.gz QYGMBZZLTROFEL-LJQANCHMSA-N 1 2 342.443 2.042 20 30 EEEDLO Cc1nsc(N2CC[NH+](Cc3cnn(CC(C)C)c3)CC2)c1C#N ZINC000291572257 464156588 /nfs/dbraw/zinc/15/65/88/464156588.db2.gz NZOOCLQBNFQJDS-UHFFFAOYSA-N 1 2 344.488 2.498 20 30 EEEDLO N#CC1(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCSCC1 ZINC000270093438 464184069 /nfs/dbraw/zinc/18/40/69/464184069.db2.gz KZMMSFIMJCWZLT-UHFFFAOYSA-N 1 2 326.425 2.451 20 30 EEEDLO NC(=[NH+]OCc1cccc(C(=O)N2CCCCC2)c1)[C@H]1CCCO1 ZINC000284442024 464192640 /nfs/dbraw/zinc/19/26/40/464192640.db2.gz PKABIBFBGUDUFL-MRXNPFEDSA-N 1 2 331.416 2.281 20 30 EEEDLO C=CC[C@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280972049 464285265 /nfs/dbraw/zinc/28/52/65/464285265.db2.gz LTIRTJVRCHGZSI-JQHSSLGASA-N 1 2 329.444 2.246 20 30 EEEDLO C=CC[C@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280972049 464285270 /nfs/dbraw/zinc/28/52/70/464285270.db2.gz LTIRTJVRCHGZSI-JQHSSLGASA-N 1 2 329.444 2.246 20 30 EEEDLO COc1cc(C(N)=[NH+]OCc2nnc(C)s2)cc(Cl)c1OC ZINC000271576563 464335925 /nfs/dbraw/zinc/33/59/25/464335925.db2.gz WIWMFHLXVZAOKJ-UHFFFAOYSA-N 1 2 342.808 2.354 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)CCCC(=O)c2cccc(OC)c2)CC1 ZINC000293468084 464406641 /nfs/dbraw/zinc/40/66/41/464406641.db2.gz QVMPYIGSDJKIKE-UHFFFAOYSA-N 1 2 342.439 2.216 20 30 EEEDLO C=CCN(CCOC)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000189001282 464413335 /nfs/dbraw/zinc/41/33/35/464413335.db2.gz XSQJGYOQTYBHHH-OAHLLOKOSA-N 1 2 341.402 2.412 20 30 EEEDLO CC[C@@](C)(C#N)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000285010990 464424894 /nfs/dbraw/zinc/42/48/94/464424894.db2.gz DEWSMDNKCXHXOM-SFHVURJKSA-N 1 2 332.423 2.004 20 30 EEEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000293917159 464426766 /nfs/dbraw/zinc/42/67/66/464426766.db2.gz XNHGPEMOPZDKAR-CZUORRHYSA-N 1 2 328.372 2.045 20 30 EEEDLO N#C[C@@]1(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CC12CCCC2 ZINC000294229453 464437365 /nfs/dbraw/zinc/43/73/65/464437365.db2.gz DRAAMTALOMEYCA-LJQANCHMSA-N 1 2 340.427 2.008 20 30 EEEDLO COC(=O)CC1(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000281392117 464438459 /nfs/dbraw/zinc/43/84/59/464438459.db2.gz DOASLMGSPRPJJC-UHFFFAOYSA-N 1 2 327.428 2.019 20 30 EEEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000245812418 464515720 /nfs/dbraw/zinc/51/57/20/464515720.db2.gz QZKDWSFDTNTEFW-JKSUJKDBSA-N 1 2 346.450 2.344 20 30 EEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000245812418 464515726 /nfs/dbraw/zinc/51/57/26/464515726.db2.gz QZKDWSFDTNTEFW-JKSUJKDBSA-N 1 2 346.450 2.344 20 30 EEEDLO C#CCO[C@H](C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000294600667 464549272 /nfs/dbraw/zinc/54/92/72/464549272.db2.gz WJELSWWEOWIPMB-OWCLPIDISA-N 1 2 330.428 2.273 20 30 EEEDLO C#CCO[C@H](C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000294600667 464549279 /nfs/dbraw/zinc/54/92/79/464549279.db2.gz WJELSWWEOWIPMB-OWCLPIDISA-N 1 2 330.428 2.273 20 30 EEEDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000285504932 464588700 /nfs/dbraw/zinc/58/87/00/464588700.db2.gz NMZLURMNCWTPGC-MRXNPFEDSA-N 1 2 344.415 2.049 20 30 EEEDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000285504932 464588706 /nfs/dbraw/zinc/58/87/06/464588706.db2.gz NMZLURMNCWTPGC-MRXNPFEDSA-N 1 2 344.415 2.049 20 30 EEEDLO C=C(Cl)CNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000265520663 464590627 /nfs/dbraw/zinc/59/06/27/464590627.db2.gz LWWXOSRRPAJVGK-ZDUSSCGKSA-N 1 2 325.815 2.205 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000294794777 464606825 /nfs/dbraw/zinc/60/68/25/464606825.db2.gz BBAVODDKKZMAJM-INIZCTEOSA-N 1 2 329.444 2.185 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000547445111 468411806 /nfs/dbraw/zinc/41/18/06/468411806.db2.gz ZDNLISBIGJXCII-RTBURBONSA-N 1 2 349.471 2.281 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000547445111 468411813 /nfs/dbraw/zinc/41/18/13/468411813.db2.gz ZDNLISBIGJXCII-RTBURBONSA-N 1 2 349.471 2.281 20 30 EEEDLO CCC[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@H](CC)C(=O)OCC ZINC000190363059 464628256 /nfs/dbraw/zinc/62/82/56/464628256.db2.gz RHVKKUQIOLRJQK-OAHLLOKOSA-N 1 2 337.464 2.383 20 30 EEEDLO CCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H](CC)C(=O)OCC ZINC000190363059 464628263 /nfs/dbraw/zinc/62/82/63/464628263.db2.gz RHVKKUQIOLRJQK-OAHLLOKOSA-N 1 2 337.464 2.383 20 30 EEEDLO COc1cccc(OC)c1OC[C@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000265651523 464632745 /nfs/dbraw/zinc/63/27/45/464632745.db2.gz OKRIIMJRRHNKBV-OAHLLOKOSA-N 1 2 334.416 2.212 20 30 EEEDLO COc1cccc(OC)c1OC[C@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000265651523 464632748 /nfs/dbraw/zinc/63/27/48/464632748.db2.gz OKRIIMJRRHNKBV-OAHLLOKOSA-N 1 2 334.416 2.212 20 30 EEEDLO N#CCN1CC[NH+](Cc2ccc(C(=O)OCc3ccccc3)[nH]2)CC1 ZINC000294984829 464670908 /nfs/dbraw/zinc/67/09/08/464670908.db2.gz XTCYPFZORBABNS-UHFFFAOYSA-N 1 2 338.411 2.013 20 30 EEEDLO C[C@@H](C#N)CNC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000182706074 464713102 /nfs/dbraw/zinc/71/31/02/464713102.db2.gz KVGSKASRBSLXQN-HNNXBMFYSA-N 1 2 325.416 2.475 20 30 EEEDLO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000276039814 464795697 /nfs/dbraw/zinc/79/56/97/464795697.db2.gz WQJOCIAHYMHTRQ-UHFFFAOYSA-N 1 2 327.384 2.487 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000248900727 464818123 /nfs/dbraw/zinc/81/81/23/464818123.db2.gz ACSIUPJGOWEZQE-VXGBXAGGSA-N 1 2 337.370 2.154 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000248900727 464818128 /nfs/dbraw/zinc/81/81/28/464818128.db2.gz ACSIUPJGOWEZQE-VXGBXAGGSA-N 1 2 337.370 2.154 20 30 EEEDLO CC(C)Nc1nc(N[C@@H](C)c2ccc(C#N)cc2)nc(NCCO)[nH+]1 ZINC000286151359 464820274 /nfs/dbraw/zinc/82/02/74/464820274.db2.gz OCUPQSKLOMXUNC-LBPRGKRZSA-N 1 2 341.419 2.141 20 30 EEEDLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000286151359 464820282 /nfs/dbraw/zinc/82/02/82/464820282.db2.gz OCUPQSKLOMXUNC-LBPRGKRZSA-N 1 2 341.419 2.141 20 30 EEEDLO CC(C)Nc1nc(NCCO)nc(N[C@@H](C)c2ccc(C#N)cc2)[nH+]1 ZINC000286151359 464820290 /nfs/dbraw/zinc/82/02/90/464820290.db2.gz OCUPQSKLOMXUNC-LBPRGKRZSA-N 1 2 341.419 2.141 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000191632854 464823453 /nfs/dbraw/zinc/82/34/53/464823453.db2.gz XYXJPOPGUDCMAC-CVEARBPZSA-N 1 2 346.450 2.344 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000191632854 464823455 /nfs/dbraw/zinc/82/34/55/464823455.db2.gz XYXJPOPGUDCMAC-CVEARBPZSA-N 1 2 346.450 2.344 20 30 EEEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000192231234 464890488 /nfs/dbraw/zinc/89/04/88/464890488.db2.gz UOHZHJGVSYKBKP-UHFFFAOYSA-N 1 2 327.306 2.167 20 30 EEEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000192231234 464890492 /nfs/dbraw/zinc/89/04/92/464890492.db2.gz UOHZHJGVSYKBKP-UHFFFAOYSA-N 1 2 327.306 2.167 20 30 EEEDLO CCc1noc(C)c1CO[NH+]=C(N)COc1cccc(C(=O)OC)c1 ZINC000268127678 464951781 /nfs/dbraw/zinc/95/17/81/464951781.db2.gz NMWMZNWFOUDCQZ-UHFFFAOYSA-N 1 2 347.371 2.200 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1C(=O)OCC ZINC000184686854 465018257 /nfs/dbraw/zinc/01/82/57/465018257.db2.gz IBJRBSLKPQULGR-IAGOWNOFSA-N 1 2 333.428 2.182 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1C(=O)OCC ZINC000184686854 465018262 /nfs/dbraw/zinc/01/82/62/465018262.db2.gz IBJRBSLKPQULGR-IAGOWNOFSA-N 1 2 333.428 2.182 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)Cn1ccccc1=O)C2 ZINC000329393673 465319966 /nfs/dbraw/zinc/31/99/66/465319966.db2.gz UVEHTZMIVGZFNL-ZDUSSCGKSA-N 1 2 328.416 2.314 20 30 EEEDLO O=C(Nc1cnc2c(c1)CCCC2)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329473031 465345808 /nfs/dbraw/zinc/34/58/08/465345808.db2.gz SLSKATVUUPZVDK-QGZVFWFLSA-N 1 2 344.459 2.303 20 30 EEEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@H]1CCCCS1 ZINC000329622744 465390259 /nfs/dbraw/zinc/39/02/59/465390259.db2.gz FVZGXSUDFVYPSP-OAHLLOKOSA-N 1 2 339.505 2.173 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000337484612 465393678 /nfs/dbraw/zinc/39/36/78/465393678.db2.gz XVEDXWBVPSRNEB-DYVFJYSZSA-N 1 2 332.404 2.470 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000337484612 465393682 /nfs/dbraw/zinc/39/36/82/465393682.db2.gz XVEDXWBVPSRNEB-DYVFJYSZSA-N 1 2 332.404 2.470 20 30 EEEDLO O=C(NC1CCN(CC(F)(F)F)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330127123 465542083 /nfs/dbraw/zinc/54/20/83/465542083.db2.gz IXCUWXIEBZYTQP-LLVKDONJSA-N 1 2 330.354 2.429 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C ZINC000330248959 465584672 /nfs/dbraw/zinc/58/46/72/465584672.db2.gz ZNGXXJSMFMFOCL-OLZOCXBDSA-N 1 2 346.431 2.138 20 30 EEEDLO N#CC1(F)CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000344312600 465603735 /nfs/dbraw/zinc/60/37/35/465603735.db2.gz RUIDWYUYSHFQSY-UHFFFAOYSA-N 1 2 341.390 2.469 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(c2nc(C)cc(C)c2C#N)CC1 ZINC000299470556 465761452 /nfs/dbraw/zinc/76/14/52/465761452.db2.gz PCUPMZLDMCFTKJ-UHFFFAOYSA-N 1 2 325.416 2.497 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnn4ccccc34)CC2)cc1 ZINC000348808850 465810433 /nfs/dbraw/zinc/81/04/33/465810433.db2.gz XCIKVMFIPOBLHP-UHFFFAOYSA-N 1 2 345.406 2.164 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000345816089 465907385 /nfs/dbraw/zinc/90/73/85/465907385.db2.gz MMJBUEVDCGWCEX-DGCLKSJQSA-N 1 2 331.338 2.385 20 30 EEEDLO C#C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1)C(C)C ZINC000366991922 466059575 /nfs/dbraw/zinc/05/95/75/466059575.db2.gz VCEAUSVUDPASIX-DLBZAZTESA-N 1 2 340.427 2.475 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)NCCCCC#N)CC2)no1 ZINC000353720472 466092840 /nfs/dbraw/zinc/09/28/40/466092840.db2.gz LJZKQWBJPIMYCA-HNNXBMFYSA-N 1 2 348.451 2.068 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)NCCCCC#N)CC2)no1 ZINC000353720472 466092842 /nfs/dbraw/zinc/09/28/42/466092842.db2.gz LJZKQWBJPIMYCA-HNNXBMFYSA-N 1 2 348.451 2.068 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@@]1=O ZINC000353818427 466173639 /nfs/dbraw/zinc/17/36/39/466173639.db2.gz HJWADOCVIITINB-MYYSRTQBSA-N 1 2 342.468 2.417 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@@]1=O ZINC000353818427 466173647 /nfs/dbraw/zinc/17/36/47/466173647.db2.gz HJWADOCVIITINB-MYYSRTQBSA-N 1 2 342.468 2.417 20 30 EEEDLO CC[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(OC)cc1OC ZINC000346898606 466234412 /nfs/dbraw/zinc/23/44/12/466234412.db2.gz HMNBNZIZPBVEJD-UHFFFAOYSA-N 1 2 331.416 2.088 20 30 EEEDLO CC[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(OC)cc1OC ZINC000346898606 466234417 /nfs/dbraw/zinc/23/44/17/466234417.db2.gz HMNBNZIZPBVEJD-UHFFFAOYSA-N 1 2 331.416 2.088 20 30 EEEDLO CCCN(CC)C(=O)c1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000580648650 468480491 /nfs/dbraw/zinc/48/04/91/468480491.db2.gz JSDMZQKHDGVHDT-LJQANCHMSA-N 1 2 344.459 2.132 20 30 EEEDLO Cc1cc(Br)ccc1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000580650310 468480568 /nfs/dbraw/zinc/48/05/68/468480568.db2.gz WCMHODKIUODTLR-HNNXBMFYSA-N 1 2 338.249 2.260 20 30 EEEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000363289759 466328456 /nfs/dbraw/zinc/32/84/56/466328456.db2.gz XQUDVZXXNFLEMP-DLBZAZTESA-N 1 2 333.395 2.294 20 30 EEEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000363289759 466328464 /nfs/dbraw/zinc/32/84/64/466328464.db2.gz XQUDVZXXNFLEMP-DLBZAZTESA-N 1 2 333.395 2.294 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000354211882 466383061 /nfs/dbraw/zinc/38/30/61/466383061.db2.gz YSWFJZTVYOBOTN-UGSOOPFHSA-N 1 2 338.398 2.373 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000354211882 466383067 /nfs/dbraw/zinc/38/30/67/466383067.db2.gz YSWFJZTVYOBOTN-UGSOOPFHSA-N 1 2 338.398 2.373 20 30 EEEDLO N#CCc1ccc(OC[C@@H](O)Cn2cc[nH+]c2-c2cccnc2)cc1 ZINC000305297683 466398210 /nfs/dbraw/zinc/39/82/10/466398210.db2.gz IIHUMDWSTJBCFK-KRWDZBQOSA-N 1 2 334.379 2.451 20 30 EEEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)[C@@H]1C ZINC000347131473 466416188 /nfs/dbraw/zinc/41/61/88/466416188.db2.gz REMTUAQGJYAQQX-OLZOCXBDSA-N 1 2 347.440 2.124 20 30 EEEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)[C@@H]1C ZINC000347131473 466416193 /nfs/dbraw/zinc/41/61/93/466416193.db2.gz REMTUAQGJYAQQX-OLZOCXBDSA-N 1 2 347.440 2.124 20 30 EEEDLO Cc1onc(CC(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1C#N ZINC000332172926 466426763 /nfs/dbraw/zinc/42/67/63/466426763.db2.gz QLIXXLWKJGOWTB-GFCCVEGCSA-N 1 2 341.415 2.022 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000581649788 468497073 /nfs/dbraw/zinc/49/70/73/468497073.db2.gz NKJRTPFXBIVSLU-SJORKVTESA-N 1 2 344.459 2.461 20 30 EEEDLO Cc1nc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c(C)s1 ZINC000332435008 466540883 /nfs/dbraw/zinc/54/08/83/466540883.db2.gz XXDUAJYJKHUGPO-NSHDSACASA-N 1 2 328.445 2.132 20 30 EEEDLO Cc1nc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c(C)s1 ZINC000332435008 466540888 /nfs/dbraw/zinc/54/08/88/466540888.db2.gz XXDUAJYJKHUGPO-NSHDSACASA-N 1 2 328.445 2.132 20 30 EEEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000372736990 466564078 /nfs/dbraw/zinc/56/40/78/466564078.db2.gz CWFDQAKBJVQEDR-UHFFFAOYSA-N 1 2 326.375 2.420 20 30 EEEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccccc2C#N)C1 ZINC000362132209 466578023 /nfs/dbraw/zinc/57/80/23/466578023.db2.gz SNSXWDJIBISQQY-INIZCTEOSA-N 1 2 327.409 2.023 20 30 EEEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccccc2C#N)C1 ZINC000362132209 466578029 /nfs/dbraw/zinc/57/80/29/466578029.db2.gz SNSXWDJIBISQQY-INIZCTEOSA-N 1 2 327.409 2.023 20 30 EEEDLO C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000350769427 466603699 /nfs/dbraw/zinc/60/36/99/466603699.db2.gz ZAUHFMOBHJNAGH-KSSFIOAISA-N 1 2 327.428 2.379 20 30 EEEDLO C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000350769427 466603707 /nfs/dbraw/zinc/60/37/07/466603707.db2.gz ZAUHFMOBHJNAGH-KSSFIOAISA-N 1 2 327.428 2.379 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2Cc2ccc(F)cc2C#N)O1 ZINC000374505650 466656032 /nfs/dbraw/zinc/65/60/32/466656032.db2.gz NXFYWPFQZHAPGB-AHBIMHKDSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2Cc2ccc(F)cc2C#N)O1 ZINC000374505650 466656036 /nfs/dbraw/zinc/65/60/36/466656036.db2.gz NXFYWPFQZHAPGB-AHBIMHKDSA-N 1 2 332.375 2.381 20 30 EEEDLO CCO[C@H](C)c1noc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000370730023 466982348 /nfs/dbraw/zinc/98/23/48/466982348.db2.gz LRVLKPYEKMMIDB-TZMCWYRMSA-N 1 2 343.387 2.087 20 30 EEEDLO CCO[C@H](C)c1noc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000370730023 466982353 /nfs/dbraw/zinc/98/23/53/466982353.db2.gz LRVLKPYEKMMIDB-TZMCWYRMSA-N 1 2 343.387 2.087 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000377288388 467051604 /nfs/dbraw/zinc/05/16/04/467051604.db2.gz PKCVICWCBBNJMR-PMPSAXMXSA-N 1 2 332.448 2.349 20 30 EEEDLO COc1ccc(C[C@@](C)(O)CNc2cc(C)[nH+]cc2C#N)cc1OC ZINC000425270079 467091301 /nfs/dbraw/zinc/09/13/01/467091301.db2.gz SPPODCMWHVNUPN-LJQANCHMSA-N 1 2 341.411 2.106 20 30 EEEDLO C[C@@H](O)[C@@H]1CCN(c2cc(N(C)Cc3ccc(C#N)cc3)nc[nH+]2)C1 ZINC000413043435 467159063 /nfs/dbraw/zinc/15/90/63/467159063.db2.gz CKMMIQXEAHDHRL-RHSMWYFYSA-N 1 2 337.427 2.192 20 30 EEEDLO C[C@@H](O)[C@@H]1CCN(c2cc(N(C)Cc3ccc(C#N)cc3)[nH+]cn2)C1 ZINC000413043435 467159066 /nfs/dbraw/zinc/15/90/66/467159066.db2.gz CKMMIQXEAHDHRL-RHSMWYFYSA-N 1 2 337.427 2.192 20 30 EEEDLO CCN1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000433110504 467293572 /nfs/dbraw/zinc/29/35/72/467293572.db2.gz PKXPOAWFHSTJTR-KRWDZBQOSA-N 1 2 349.438 2.218 20 30 EEEDLO C[N@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)CC(C)(C)C#N ZINC000433294103 467315819 /nfs/dbraw/zinc/31/58/19/467315819.db2.gz JROCMKNPNWNTJP-MRXNPFEDSA-N 1 2 328.460 2.111 20 30 EEEDLO C[N@@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)CC(C)(C)C#N ZINC000433294103 467315822 /nfs/dbraw/zinc/31/58/22/467315822.db2.gz JROCMKNPNWNTJP-MRXNPFEDSA-N 1 2 328.460 2.111 20 30 EEEDLO N#CCC1(CNC(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000431194282 467501294 /nfs/dbraw/zinc/50/12/94/467501294.db2.gz RYTNASMUYRVFBZ-UHFFFAOYSA-N 1 2 328.416 2.334 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCc3cccs3)CC2)cc1O ZINC000442623724 467576326 /nfs/dbraw/zinc/57/63/26/467576326.db2.gz QKQRJMQPWDFPPU-UHFFFAOYSA-N 1 2 341.436 2.326 20 30 EEEDLO C[C@H](CC(=O)c1ccccc1F)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000525210068 467641709 /nfs/dbraw/zinc/64/17/09/467641709.db2.gz QAEHMTSTMZGXQP-CYBMUJFWSA-N 1 2 331.391 2.139 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000527299106 467658671 /nfs/dbraw/zinc/65/86/71/467658671.db2.gz STVKHFCAVCAMKT-WMZOPIPTSA-N 1 2 341.455 2.271 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000527299106 467658674 /nfs/dbraw/zinc/65/86/74/467658674.db2.gz STVKHFCAVCAMKT-WMZOPIPTSA-N 1 2 341.455 2.271 20 30 EEEDLO C[C@H]1C[N@H+](Cc2ncc(C#N)cn2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000497020734 467790008 /nfs/dbraw/zinc/79/00/08/467790008.db2.gz WLMCEKVBDYVFTA-JSGCOSHPSA-N 1 2 331.420 2.083 20 30 EEEDLO C[C@H]1C[N@@H+](Cc2ncc(C#N)cn2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000497020734 467790012 /nfs/dbraw/zinc/79/00/12/467790012.db2.gz WLMCEKVBDYVFTA-JSGCOSHPSA-N 1 2 331.420 2.083 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](C[C@H](C#N)CCC#N)CCCO1 ZINC000497105735 467837511 /nfs/dbraw/zinc/83/75/11/467837511.db2.gz HWGQKJSGKBFCQH-GJZGRUSLSA-N 1 2 336.436 2.046 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](C[C@H](C#N)CCC#N)CCCO1 ZINC000497105735 467837515 /nfs/dbraw/zinc/83/75/15/467837515.db2.gz HWGQKJSGKBFCQH-GJZGRUSLSA-N 1 2 336.436 2.046 20 30 EEEDLO C=CCCCCNC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000458668088 467876426 /nfs/dbraw/zinc/87/64/26/467876426.db2.gz KBPQQARYBCWKAL-UHFFFAOYSA-N 1 2 335.448 2.480 20 30 EEEDLO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@H+](Cc2ncc(C#N)cn2)C1 ZINC000497286859 467922848 /nfs/dbraw/zinc/92/28/48/467922848.db2.gz ZJOZVFNMMUISHZ-CQSZACIVSA-N 1 2 345.447 2.475 20 30 EEEDLO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+](Cc2ncc(C#N)cn2)C1 ZINC000497286859 467922850 /nfs/dbraw/zinc/92/28/50/467922850.db2.gz ZJOZVFNMMUISHZ-CQSZACIVSA-N 1 2 345.447 2.475 20 30 EEEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)[C@H](CC)CN1C(C)=O ZINC000472330471 467986091 /nfs/dbraw/zinc/98/60/91/467986091.db2.gz UWQXFTAPUGAXEB-QZTJIDSGSA-N 1 2 342.443 2.218 20 30 EEEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)[C@H](CC)CN1C(C)=O ZINC000472330471 467986092 /nfs/dbraw/zinc/98/60/92/467986092.db2.gz UWQXFTAPUGAXEB-QZTJIDSGSA-N 1 2 342.443 2.218 20 30 EEEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCOc3ccc(F)cc3C2)cc1 ZINC000489219338 468124043 /nfs/dbraw/zinc/12/40/43/468124043.db2.gz OFZRKYQYGQNNCB-QGZVFWFLSA-N 1 2 342.370 2.332 20 30 EEEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCOc3ccc(F)cc3C2)cc1 ZINC000489219338 468124045 /nfs/dbraw/zinc/12/40/45/468124045.db2.gz OFZRKYQYGQNNCB-QGZVFWFLSA-N 1 2 342.370 2.332 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(C#N)n1)c1ccc(F)cc1 ZINC000589266335 468139497 /nfs/dbraw/zinc/13/94/97/468139497.db2.gz KLSNZYOOFNINKJ-MRXNPFEDSA-N 1 2 335.342 2.345 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CCCCC#N)c1ccccc1 ZINC000519110182 468142186 /nfs/dbraw/zinc/14/21/86/468142186.db2.gz ZJWMCCLNZOOVCI-OAHLLOKOSA-N 1 2 332.429 2.123 20 30 EEEDLO Cc1sc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1Br ZINC000566309401 468149757 /nfs/dbraw/zinc/14/97/57/468149757.db2.gz PCZZYDJLLMGBSE-GFCCVEGCSA-N 1 2 330.251 2.393 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000576352364 468165021 /nfs/dbraw/zinc/16/50/21/468165021.db2.gz ICFGEBBIRNITOO-CVEARBPZSA-N 1 2 330.432 2.215 20 30 EEEDLO C=CCCCCNC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000550614728 468219988 /nfs/dbraw/zinc/21/99/88/468219988.db2.gz MCDVPPASWLXTTH-MRXNPFEDSA-N 1 2 340.427 2.098 20 30 EEEDLO C#CC[N@@H+](Cc1ccc2nc(C)ccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000490718654 468239993 /nfs/dbraw/zinc/23/99/93/468239993.db2.gz JESKFPZZQZLTPC-QGZVFWFLSA-N 1 2 328.437 2.166 20 30 EEEDLO C#CC[N@H+](Cc1ccc2nc(C)ccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000490718654 468239996 /nfs/dbraw/zinc/23/99/96/468239996.db2.gz JESKFPZZQZLTPC-QGZVFWFLSA-N 1 2 328.437 2.166 20 30 EEEDLO C#CC[N@@H+](CCSc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000490842114 468255685 /nfs/dbraw/zinc/25/56/85/468255685.db2.gz YWABOSUDONCKHO-AWEZNQCLSA-N 1 2 327.446 2.040 20 30 EEEDLO C#CC[N@H+](CCSc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000490842114 468255691 /nfs/dbraw/zinc/25/56/91/468255691.db2.gz YWABOSUDONCKHO-AWEZNQCLSA-N 1 2 327.446 2.040 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(N2CCCCCC2)nc1 ZINC000570097766 468589606 /nfs/dbraw/zinc/58/96/06/468589606.db2.gz KNYAVIZJEOCVLJ-SFHVURJKSA-N 1 2 329.448 2.036 20 30 EEEDLO Cc1sc2nc([C@@H](C)[N@@H+]3CC[C@](O)(CC#N)C3)nc(N)c2c1C ZINC000592151485 468639749 /nfs/dbraw/zinc/63/97/49/468639749.db2.gz MJXOLMDOBCKLHI-QLJPJBMISA-N 1 2 331.445 2.302 20 30 EEEDLO Cc1sc2nc([C@@H](C)[N@H+]3CC[C@](O)(CC#N)C3)nc(N)c2c1C ZINC000592151485 468639755 /nfs/dbraw/zinc/63/97/55/468639755.db2.gz MJXOLMDOBCKLHI-QLJPJBMISA-N 1 2 331.445 2.302 20 30 EEEDLO COc1ccc(Br)c(C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592153030 468641564 /nfs/dbraw/zinc/64/15/64/468641564.db2.gz IAHKPJGEXIYIKR-CQSZACIVSA-N 1 2 325.206 2.308 20 30 EEEDLO COc1ccc(Br)c(C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592153030 468641566 /nfs/dbraw/zinc/64/15/66/468641566.db2.gz IAHKPJGEXIYIKR-CQSZACIVSA-N 1 2 325.206 2.308 20 30 EEEDLO COc1ccc(-c2ccc(N3CCC[C@@H](C(N)=O)C3)[nH+]c2)cc1C#N ZINC000600788753 468658044 /nfs/dbraw/zinc/65/80/44/468658044.db2.gz MDZDPOOBSFFPCJ-OAHLLOKOSA-N 1 2 336.395 2.331 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ncc4n3CCCC4)CC2)cc1 ZINC000600946196 468692745 /nfs/dbraw/zinc/69/27/45/468692745.db2.gz PPFVGUNPPZULQH-UHFFFAOYSA-N 1 2 349.438 2.049 20 30 EEEDLO C[C@H]1C[N@H+](CCNC(=O)c2cc3ccccc3n2CC#N)[C@@H](C)CO1 ZINC000597996099 468734617 /nfs/dbraw/zinc/73/46/17/468734617.db2.gz IBFAWVMJYPBPGW-GJZGRUSLSA-N 1 2 340.427 2.004 20 30 EEEDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc3ccccc3n2CC#N)[C@@H](C)CO1 ZINC000597996099 468734621 /nfs/dbraw/zinc/73/46/21/468734621.db2.gz IBFAWVMJYPBPGW-GJZGRUSLSA-N 1 2 340.427 2.004 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)nc1 ZINC000559290368 468736712 /nfs/dbraw/zinc/73/67/12/468736712.db2.gz YOWZZFNGBSAOSB-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)nc1 ZINC000559290368 468736715 /nfs/dbraw/zinc/73/67/15/468736715.db2.gz YOWZZFNGBSAOSB-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO Cc1cn2ccc(NC(=O)C(=O)NCC(C)(C)CCC#N)cc2[nH+]1 ZINC000595028541 468746135 /nfs/dbraw/zinc/74/61/35/468746135.db2.gz ZLXHYTCMWSUQLV-UHFFFAOYSA-N 1 2 327.388 2.027 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000571830751 468845404 /nfs/dbraw/zinc/84/54/04/468845404.db2.gz GUYBRRAPLVAAAX-ZIAGYGMSSA-N 1 2 346.406 2.015 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000571830751 468845408 /nfs/dbraw/zinc/84/54/08/468845408.db2.gz GUYBRRAPLVAAAX-ZIAGYGMSSA-N 1 2 346.406 2.015 20 30 EEEDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1c(C)cc(F)cc1C#N ZINC000601431296 468869614 /nfs/dbraw/zinc/86/96/14/468869614.db2.gz JZDHIOHTUVCZRU-HNNXBMFYSA-N 1 2 339.436 2.111 20 30 EEEDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1c(C)cc(F)cc1C#N ZINC000601431296 468869618 /nfs/dbraw/zinc/86/96/18/468869618.db2.gz JZDHIOHTUVCZRU-HNNXBMFYSA-N 1 2 339.436 2.111 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000593155596 468889498 /nfs/dbraw/zinc/88/94/98/468889498.db2.gz JMKLBRHSZJGCAI-ZDUSSCGKSA-N 1 2 346.378 2.153 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2cccnc2)cc1 ZINC000572150146 468893381 /nfs/dbraw/zinc/89/33/81/468893381.db2.gz GQSILKOEFQBRON-INIZCTEOSA-N 1 2 326.400 2.492 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2cccnc2)cc1 ZINC000572150146 468893386 /nfs/dbraw/zinc/89/33/86/468893386.db2.gz GQSILKOEFQBRON-INIZCTEOSA-N 1 2 326.400 2.492 20 30 EEEDLO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611999 468922626 /nfs/dbraw/zinc/92/26/26/468922626.db2.gz RDOHWOHCFMIGIY-AWEZNQCLSA-N 1 2 329.400 2.062 20 30 EEEDLO COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611999 468922629 /nfs/dbraw/zinc/92/26/29/468922629.db2.gz RDOHWOHCFMIGIY-AWEZNQCLSA-N 1 2 329.400 2.062 20 30 EEEDLO COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595614387 468923201 /nfs/dbraw/zinc/92/32/01/468923201.db2.gz HGMUEEPTENBWLL-CQSZACIVSA-N 1 2 329.400 2.346 20 30 EEEDLO COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595614387 468923206 /nfs/dbraw/zinc/92/32/06/468923206.db2.gz HGMUEEPTENBWLL-CQSZACIVSA-N 1 2 329.400 2.346 20 30 EEEDLO COC(=O)c1coc(C[NH+]2CCN(c3ccsc3C#N)CC2)c1 ZINC000595631595 468931688 /nfs/dbraw/zinc/93/16/88/468931688.db2.gz FLFOGBIHSVYQGF-UHFFFAOYSA-N 1 2 331.397 2.322 20 30 EEEDLO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632688 468932015 /nfs/dbraw/zinc/93/20/15/468932015.db2.gz PFVDKFXAHYLIHN-CYBMUJFWSA-N 1 2 334.489 2.435 20 30 EEEDLO Cc1[nH]nc(NC(=O)c2c3ccccc3nc3c2C[N@H+](C)CC3)c1C#N ZINC000601678938 468964242 /nfs/dbraw/zinc/96/42/42/468964242.db2.gz IAWKAOQNYCQXNO-UHFFFAOYSA-N 1 2 346.394 2.378 20 30 EEEDLO Cc1[nH]nc(NC(=O)c2c3ccccc3nc3c2C[N@@H+](C)CC3)c1C#N ZINC000601678938 468964245 /nfs/dbraw/zinc/96/42/45/468964245.db2.gz IAWKAOQNYCQXNO-UHFFFAOYSA-N 1 2 346.394 2.378 20 30 EEEDLO N#CCC1CC[NH+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000572845333 469006875 /nfs/dbraw/zinc/00/68/75/469006875.db2.gz NRTBTSALWJPSDV-UHFFFAOYSA-N 1 2 327.837 2.113 20 30 EEEDLO C[C@H](O)C[NH+]1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000614656488 469007683 /nfs/dbraw/zinc/00/76/83/469007683.db2.gz QSKKXFYVMSSWIV-JTQLQIEISA-N 1 2 342.226 2.004 20 30 EEEDLO Cc1nc(C#N)c(-n2[nH]c3c(c2=O)CC[N@H+](Cc2ccccc2)C3)o1 ZINC000601937782 469103280 /nfs/dbraw/zinc/10/32/80/469103280.db2.gz HKISXXJLOGGFDN-CQSZACIVSA-N 1 2 335.367 2.079 20 30 EEEDLO Cc1nc(C#N)c(-n2[nH]c3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)o1 ZINC000601937782 469103283 /nfs/dbraw/zinc/10/32/83/469103283.db2.gz HKISXXJLOGGFDN-CQSZACIVSA-N 1 2 335.367 2.079 20 30 EEEDLO N#Cc1c2c(cnc1NC[C@H]1C[N@H+](Cc3ccncc3)CCO1)CCC2 ZINC000599184602 469154741 /nfs/dbraw/zinc/15/47/41/469154741.db2.gz JSIWDQVBKHHMTR-KRWDZBQOSA-N 1 2 349.438 2.150 20 30 EEEDLO N#Cc1c2c(cnc1NC[C@H]1C[N@@H+](Cc3ccncc3)CCO1)CCC2 ZINC000599184602 469154746 /nfs/dbraw/zinc/15/47/46/469154746.db2.gz JSIWDQVBKHHMTR-KRWDZBQOSA-N 1 2 349.438 2.150 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(O)ccc1Cl ZINC000599318083 469208103 /nfs/dbraw/zinc/20/81/03/469208103.db2.gz ZZOXZRZZWUGROW-LBPRGKRZSA-N 1 2 343.818 2.418 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(O)ccc1Cl ZINC000599318083 469208109 /nfs/dbraw/zinc/20/81/09/469208109.db2.gz ZZOXZRZZWUGROW-LBPRGKRZSA-N 1 2 343.818 2.418 20 30 EEEDLO COCC1(O)CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000611348857 469233689 /nfs/dbraw/zinc/23/36/89/469233689.db2.gz PKRQVMRYIAMBLQ-UHFFFAOYSA-N 1 2 340.427 2.026 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccnc(C#N)c2)CC1 ZINC000603128479 469275524 /nfs/dbraw/zinc/27/55/24/469275524.db2.gz JEZKRVHMALTTTR-CQSZACIVSA-N 1 2 336.399 2.259 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)n1cc(Cn2cc[nH+]c2)nn1 ZINC000603171607 469296624 /nfs/dbraw/zinc/29/66/24/469296624.db2.gz BLBVFQRIMMEEMW-OAHLLOKOSA-N 1 2 349.398 2.031 20 30 EEEDLO CO[C@H](C[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1)C1CCOCC1 ZINC000602429221 469312447 /nfs/dbraw/zinc/31/24/47/469312447.db2.gz VAGKZAVOVJAEEP-WOJBJXKFSA-N 1 2 343.471 2.138 20 30 EEEDLO CO[C@H](C[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1)C1CCOCC1 ZINC000602429221 469312449 /nfs/dbraw/zinc/31/24/49/469312449.db2.gz VAGKZAVOVJAEEP-WOJBJXKFSA-N 1 2 343.471 2.138 20 30 EEEDLO COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@](C)(C#N)C2)cc1OC ZINC000612165080 469409065 /nfs/dbraw/zinc/40/90/65/469409065.db2.gz KDLZUHQTGQZSHG-LJQANCHMSA-N 1 2 345.443 2.288 20 30 EEEDLO COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@](C)(C#N)C2)cc1OC ZINC000612165080 469409069 /nfs/dbraw/zinc/40/90/69/469409069.db2.gz KDLZUHQTGQZSHG-LJQANCHMSA-N 1 2 345.443 2.288 20 30 EEEDLO Cc1c(-c2cc(C[NH+]3CCN([C@@H](C#N)C(C)C)CC3)on2)cnn1C ZINC000613450196 469714130 /nfs/dbraw/zinc/71/41/30/469714130.db2.gz URNJQLBFIJAFHD-SFHVURJKSA-N 1 2 342.447 2.049 20 30 EEEDLO CCCCNC(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000614160109 469866849 /nfs/dbraw/zinc/86/68/49/469866849.db2.gz DNEISPMXGZYXOQ-UHFFFAOYSA-N 1 2 348.878 2.246 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC000609487228 469933258 /nfs/dbraw/zinc/93/32/58/469933258.db2.gz YSFPLXMYPXVVCL-HKUYNNGSSA-N 1 2 342.487 2.372 20 30 EEEDLO N#Cc1cccc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)n1 ZINC000609893823 469968983 /nfs/dbraw/zinc/96/89/83/469968983.db2.gz LGOAWBCCTGUSDI-KRWDZBQOSA-N 1 2 342.830 2.462 20 30 EEEDLO N#Cc1ccccc1N1CCCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000610129322 469982438 /nfs/dbraw/zinc/98/24/38/469982438.db2.gz MYTANBFIBGVIJT-UHFFFAOYSA-N 1 2 345.410 2.251 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)C(CC)CC)CC1 ZINC000642099372 470523634 /nfs/dbraw/zinc/52/36/34/470523634.db2.gz QIBSFUZYDUQMRB-MRXNPFEDSA-N 1 2 335.492 2.156 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N[C@H](C)c2ccccc2C)nn1 ZINC000640910789 471114300 /nfs/dbraw/zinc/11/43/00/471114300.db2.gz BBKWBWYHRXDKLI-CVEARBPZSA-N 1 2 339.443 2.138 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645363840 471225807 /nfs/dbraw/zinc/22/58/07/471225807.db2.gz VMLDPBLFZGOPIP-MAUKXSAKSA-N 1 2 342.443 2.466 20 30 EEEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000669188628 471414217 /nfs/dbraw/zinc/41/42/17/471414217.db2.gz BPRQKOQKTTXJMA-CRAIPNDOSA-N 1 2 341.455 2.104 20 30 EEEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000669188628 471414219 /nfs/dbraw/zinc/41/42/19/471414219.db2.gz BPRQKOQKTTXJMA-CRAIPNDOSA-N 1 2 341.455 2.104 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2ccc(-n3cccn3)c(F)c2)nn1 ZINC000656465217 471724955 /nfs/dbraw/zinc/72/49/55/471724955.db2.gz YAAQAICBZQQODQ-CQSZACIVSA-N 1 2 338.390 2.325 20 30 EEEDLO C[NH+]1CCC(C#N)(NC(=O)CCC(=O)c2c(F)cccc2F)CC1 ZINC000668391252 472113529 /nfs/dbraw/zinc/11/35/29/472113529.db2.gz JXUAJFBOVSZXQV-UHFFFAOYSA-N 1 2 335.354 2.032 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1OC ZINC000617741357 485663587 /nfs/dbraw/zinc/66/35/87/485663587.db2.gz LYWGXIVKRZECDT-GJZGRUSLSA-N 1 2 348.443 2.099 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc1OC ZINC000617741357 485663593 /nfs/dbraw/zinc/66/35/93/485663593.db2.gz LYWGXIVKRZECDT-GJZGRUSLSA-N 1 2 348.443 2.099 20 30 EEEDLO C#CCSCCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000153693935 527145816 /nfs/dbraw/zinc/14/58/16/527145816.db2.gz MFJSGQBBLVIORE-UHFFFAOYSA-N 1 2 332.473 2.238 20 30 EEEDLO C=CCCCS(=O)(=O)Nc1cc(C)nn1-c1cc(C)[nH+]c(C)n1 ZINC000291905433 527246043 /nfs/dbraw/zinc/24/60/43/527246043.db2.gz RHDBRBKVMFLQME-UHFFFAOYSA-N 1 2 335.433 2.295 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000105819580 527390287 /nfs/dbraw/zinc/39/02/87/527390287.db2.gz HEVZCUGTCCDQDR-CQSZACIVSA-N 1 2 337.489 2.467 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000105819580 527390290 /nfs/dbraw/zinc/39/02/90/527390290.db2.gz HEVZCUGTCCDQDR-CQSZACIVSA-N 1 2 337.489 2.467 20 30 EEEDLO N#CCn1c(C[NH+]2CCC(c3cn[nH]c3)CC2)nc2ccccc2c1=O ZINC000728919446 576560346 /nfs/dbraw/zinc/56/03/46/576560346.db2.gz MEWPRLOPGCZYFU-UHFFFAOYSA-N 1 2 348.410 2.023 20 30 EEEDLO C[C@H]1COCC[N@@H+]1CC/N=C/c1cc(Br)ccc1O ZINC000729148839 576605059 /nfs/dbraw/zinc/60/50/59/576605059.db2.gz FFJIFNWMVYZMLW-UJFYRASASA-N 1 2 327.222 2.294 20 30 EEEDLO C[C@H]1COCC[N@H+]1CC/N=C/c1cc(Br)ccc1O ZINC000729148839 576605061 /nfs/dbraw/zinc/60/50/61/576605061.db2.gz FFJIFNWMVYZMLW-UJFYRASASA-N 1 2 327.222 2.294 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000730096216 576713833 /nfs/dbraw/zinc/71/38/33/576713833.db2.gz KDIATYUUFNMDHU-INIZCTEOSA-N 1 2 327.428 2.251 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000730096216 576713835 /nfs/dbraw/zinc/71/38/35/576713835.db2.gz KDIATYUUFNMDHU-INIZCTEOSA-N 1 2 327.428 2.251 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N(C)C(=O)OCC)cc1 ZINC000730098220 576714660 /nfs/dbraw/zinc/71/46/60/576714660.db2.gz WHALDMOQZXBLDG-INIZCTEOSA-N 1 2 329.400 2.315 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N(C)C(=O)OCC)cc1 ZINC000730098220 576714662 /nfs/dbraw/zinc/71/46/62/576714662.db2.gz WHALDMOQZXBLDG-INIZCTEOSA-N 1 2 329.400 2.315 20 30 EEEDLO CC[C@H](C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1)[NH+](CC)CC ZINC000741032088 577019710 /nfs/dbraw/zinc/01/97/10/577019710.db2.gz ACXXZCLTCNSMBR-CHWSQXEVSA-N 1 2 337.445 2.291 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000732059201 577145714 /nfs/dbraw/zinc/14/57/14/577145714.db2.gz VYAWHFYYVINMQT-INIZCTEOSA-N 1 2 327.428 2.251 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000732059201 577145716 /nfs/dbraw/zinc/14/57/16/577145716.db2.gz VYAWHFYYVINMQT-INIZCTEOSA-N 1 2 327.428 2.251 20 30 EEEDLO COc1cc(C#N)ccc1OCCCC(=O)OCCn1cc[nH+]c1 ZINC000771918152 577238355 /nfs/dbraw/zinc/23/83/55/577238355.db2.gz MADHCCPNGMCEJK-UHFFFAOYSA-N 1 2 329.356 2.166 20 30 EEEDLO C=CC[C@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccncc1 ZINC000734667085 577317151 /nfs/dbraw/zinc/31/71/51/577317151.db2.gz ACMZDBIMSYJABR-INIZCTEOSA-N 1 2 332.448 2.109 20 30 EEEDLO C=CC[C@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccncc1 ZINC000734667085 577317153 /nfs/dbraw/zinc/31/71/53/577317153.db2.gz ACMZDBIMSYJABR-INIZCTEOSA-N 1 2 332.448 2.109 20 30 EEEDLO CC(=NNCC(C)(C)S(C)(=O)=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000774482226 577400650 /nfs/dbraw/zinc/40/06/50/577400650.db2.gz HNBMSCAKPUDXPJ-UHFFFAOYSA-N 1 2 334.445 2.009 20 30 EEEDLO C#C[C@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCO1 ZINC000775804785 577446459 /nfs/dbraw/zinc/44/64/59/577446459.db2.gz CGUDMXPOFSAMPP-UGFHNGPFSA-N 1 2 342.355 2.476 20 30 EEEDLO C#CCCOc1ccc(C[NH+]2CCN(C(=O)N3CCCC3)CC2)cc1 ZINC000768228336 577552360 /nfs/dbraw/zinc/55/23/60/577552360.db2.gz YZYJQHOZDBJNCR-UHFFFAOYSA-N 1 2 341.455 2.422 20 30 EEEDLO C#CCNC(=S)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000758188597 577617926 /nfs/dbraw/zinc/61/79/26/577617926.db2.gz IPCKCRMWTXYHOF-UHFFFAOYSA-N 1 2 341.402 2.331 20 30 EEEDLO C#CCCCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000758675614 577629452 /nfs/dbraw/zinc/62/94/52/577629452.db2.gz QDGFUSQJTYGWDD-INIZCTEOSA-N 1 2 348.516 2.139 20 30 EEEDLO Cc1ccc(N2CCC[C@@H]([NH+]3CCN(CCC#N)CC3)C2=O)cc1 ZINC000760943924 577672591 /nfs/dbraw/zinc/67/25/91/577672591.db2.gz NHEJIEMACMWUDC-GOSISDBHSA-N 1 2 326.444 2.022 20 30 EEEDLO N#Cc1ccc(CNc2[nH+]cnc3c2cnn3-c2ncccn2)cc1 ZINC000752631098 577773945 /nfs/dbraw/zinc/77/39/45/577773945.db2.gz CGGPMSJVFJUERB-UHFFFAOYSA-N 1 2 328.339 2.089 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000754118074 577800769 /nfs/dbraw/zinc/80/07/69/577800769.db2.gz HOTINQUXKIOXPB-CMPLNLGQSA-N 1 2 328.376 2.129 20 30 EEEDLO C#CCOc1ccccc1CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000756074555 577837841 /nfs/dbraw/zinc/83/78/41/577837841.db2.gz WTRKVLHCDOOVEO-INIZCTEOSA-N 1 2 338.411 2.131 20 30 EEEDLO C[C@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000745079567 577907765 /nfs/dbraw/zinc/90/77/65/577907765.db2.gz NEEBRMKEYPDHFZ-YJTLQXIOSA-N 1 2 349.475 2.333 20 30 EEEDLO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000745079567 577907766 /nfs/dbraw/zinc/90/77/66/577907766.db2.gz NEEBRMKEYPDHFZ-YJTLQXIOSA-N 1 2 349.475 2.333 20 30 EEEDLO C[C@H](NC(=O)[C@H]1CCCOC1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969389178 674933206 /nfs/dbraw/zinc/93/32/06/674933206.db2.gz JCBWWAYSGZBPAV-ZFWWWQNUSA-N 1 2 345.418 2.060 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2csnn2)C1 ZINC000970577149 675998527 /nfs/dbraw/zinc/99/85/27/675998527.db2.gz NQFXFUKUNJMKDU-CZUORRHYSA-N 1 2 340.452 2.014 20 30 EEEDLO C[C@@H](NC(=O)c1c[nH]nc1C1CC1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970676836 676069807 /nfs/dbraw/zinc/06/98/07/676069807.db2.gz RLLOYKHXRUGBSL-CYBMUJFWSA-N 1 2 349.438 2.409 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ncn3ccc(C)cc23)C1 ZINC000970004691 675377444 /nfs/dbraw/zinc/37/74/44/675377444.db2.gz KYKNQHNYVSALRV-ZDUSSCGKSA-N 1 2 332.835 2.445 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccnn2C(F)F)C1 ZINC000966358100 675618084 /nfs/dbraw/zinc/61/80/84/675618084.db2.gz PGEUMMYOYQLJJL-GXSJLCMTSA-N 1 2 332.782 2.471 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccnn2C(F)F)C1 ZINC000966358100 675618085 /nfs/dbraw/zinc/61/80/85/675618085.db2.gz PGEUMMYOYQLJJL-GXSJLCMTSA-N 1 2 332.782 2.471 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC000970332562 675788753 /nfs/dbraw/zinc/78/87/53/675788753.db2.gz VGDBJNGKLJWIEG-TZMCWYRMSA-N 1 2 336.867 2.029 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)c2ccncc2)C1 ZINC000970957641 676270726 /nfs/dbraw/zinc/27/07/26/676270726.db2.gz AIURTNRHYGGXJB-SFHVURJKSA-N 1 2 338.386 2.439 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)c2ccncc2)C1 ZINC000970957641 676270727 /nfs/dbraw/zinc/27/07/27/676270727.db2.gz AIURTNRHYGGXJB-SFHVURJKSA-N 1 2 338.386 2.439 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000060455525 676395602 /nfs/dbraw/zinc/39/56/02/676395602.db2.gz CBBQVVCZBGRRPI-CQSZACIVSA-N 1 2 341.411 2.404 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(F)nc2)C1 ZINC000971218571 676446135 /nfs/dbraw/zinc/44/61/35/676446135.db2.gz PNSSEUOWCJXTMA-GFCCVEGCSA-N 1 2 342.212 2.276 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(F)nc2)C1 ZINC000971218571 676446136 /nfs/dbraw/zinc/44/61/36/676446136.db2.gz PNSSEUOWCJXTMA-GFCCVEGCSA-N 1 2 342.212 2.276 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2ocnc2C)C1 ZINC000971283287 676469257 /nfs/dbraw/zinc/46/92/57/676469257.db2.gz XQULQQOLRRPACE-NSHDSACASA-N 1 2 328.210 2.038 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2ocnc2C)C1 ZINC000971283287 676469259 /nfs/dbraw/zinc/46/92/59/676469259.db2.gz XQULQQOLRRPACE-NSHDSACASA-N 1 2 328.210 2.038 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@H+](C)Cc2snnc2C)C1 ZINC000971687640 676738367 /nfs/dbraw/zinc/73/83/67/676738367.db2.gz NISLAPMMKWNZJD-AWEZNQCLSA-N 1 2 345.472 2.181 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@@H+](C)Cc2snnc2C)C1 ZINC000971687640 676738368 /nfs/dbraw/zinc/73/83/68/676738368.db2.gz NISLAPMMKWNZJD-AWEZNQCLSA-N 1 2 345.472 2.181 20 30 EEEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)N(Cc1ccccc1)C1CC1 ZINC000092916470 677712433 /nfs/dbraw/zinc/71/24/33/677712433.db2.gz CIVMJEZCOFAUAF-UHFFFAOYSA-N 1 2 338.411 2.104 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000971982855 677930716 /nfs/dbraw/zinc/93/07/16/677930716.db2.gz STAHVJXCPOSAQV-MCIONIFRSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000971982855 677930719 /nfs/dbraw/zinc/93/07/19/677930719.db2.gz STAHVJXCPOSAQV-MCIONIFRSA-N 1 2 345.281 2.243 20 30 EEEDLO Cc1cc(N(C)C[C@@H]2CCCN2C(=O)[C@@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001067743081 678381610 /nfs/dbraw/zinc/38/16/10/678381610.db2.gz VCOIZQWPWXSNLU-ZFWWWQNUSA-N 1 2 329.448 2.495 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC000972375719 678623464 /nfs/dbraw/zinc/62/34/64/678623464.db2.gz MNWJRILPYXIVGR-KURKYZTESA-N 1 2 346.475 2.088 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C(C)C)n2)C1 ZINC000972375719 678623472 /nfs/dbraw/zinc/62/34/72/678623472.db2.gz MNWJRILPYXIVGR-KURKYZTESA-N 1 2 346.475 2.088 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@H+](C[C@@H](F)CC)CCO3)cc1 ZINC000972493412 678911222 /nfs/dbraw/zinc/91/12/22/678911222.db2.gz YGZLOSUMOGAXSH-ICSRJNTNSA-N 1 2 344.430 2.333 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@]3(C2)C[N@@H+](C[C@@H](F)CC)CCO3)cc1 ZINC000972493412 678911224 /nfs/dbraw/zinc/91/12/24/678911224.db2.gz YGZLOSUMOGAXSH-ICSRJNTNSA-N 1 2 344.430 2.333 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)oc2C)C1 ZINC000972523425 679160177 /nfs/dbraw/zinc/16/01/77/679160177.db2.gz UFDVRUKNQSUYCX-RYRKJORJSA-N 1 2 347.459 2.305 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)oc2C)C1 ZINC000972523425 679160179 /nfs/dbraw/zinc/16/01/79/679160179.db2.gz UFDVRUKNQSUYCX-RYRKJORJSA-N 1 2 347.459 2.305 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)c3cccc(F)c3)C2)C1 ZINC000972549179 679250890 /nfs/dbraw/zinc/25/08/90/679250890.db2.gz MSXATNUUTQLPRL-HXUWFJFHSA-N 1 2 344.430 2.040 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)c3cccc(F)c3)C2)C1 ZINC000972549179 679250891 /nfs/dbraw/zinc/25/08/91/679250891.db2.gz MSXATNUUTQLPRL-HXUWFJFHSA-N 1 2 344.430 2.040 20 30 EEEDLO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001023528840 679359900 /nfs/dbraw/zinc/35/99/00/679359900.db2.gz RPGMWOBBPKSWHW-CQSZACIVSA-N 1 2 325.416 2.100 20 30 EEEDLO C=CC[N@H+]1CCC[C@H](CNC(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001023528840 679359903 /nfs/dbraw/zinc/35/99/03/679359903.db2.gz RPGMWOBBPKSWHW-CQSZACIVSA-N 1 2 325.416 2.100 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc4ccncc43)C2)C1 ZINC000972621632 679441806 /nfs/dbraw/zinc/44/18/06/679441806.db2.gz NKMWNALORCRKMY-OAQYLSRUSA-N 1 2 349.434 2.175 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc4ccncc43)C2)C1 ZINC000972621632 679441809 /nfs/dbraw/zinc/44/18/09/679441809.db2.gz NKMWNALORCRKMY-OAQYLSRUSA-N 1 2 349.434 2.175 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4ccncc4c3)C2)C1 ZINC000972626965 679452363 /nfs/dbraw/zinc/45/23/63/679452363.db2.gz GTBYLPAYRBLYHE-NRFANRHFSA-N 1 2 349.434 2.175 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4ccncc4c3)C2)C1 ZINC000972626965 679452364 /nfs/dbraw/zinc/45/23/64/679452364.db2.gz GTBYLPAYRBLYHE-NRFANRHFSA-N 1 2 349.434 2.175 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@](C)(OC)c3ccccc3)C2)C1 ZINC000972640572 679480252 /nfs/dbraw/zinc/48/02/52/679480252.db2.gz KYTMYDOWUIMLSG-UXHICEINSA-N 1 2 344.455 2.038 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@](C)(OC)c3ccccc3)C2)C1 ZINC000972640572 679480253 /nfs/dbraw/zinc/48/02/53/679480253.db2.gz KYTMYDOWUIMLSG-UXHICEINSA-N 1 2 344.455 2.038 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)CCC4)C2)C1 ZINC000972676581 679588790 /nfs/dbraw/zinc/58/87/90/679588790.db2.gz JOGMDJGWXSJLIN-HXUWFJFHSA-N 1 2 326.440 2.278 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)CCC4)C2)C1 ZINC000972676581 679588793 /nfs/dbraw/zinc/58/87/93/679588793.db2.gz JOGMDJGWXSJLIN-HXUWFJFHSA-N 1 2 326.440 2.278 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC(C3CC3)C3CC3)C2)C1 ZINC000972696456 679621831 /nfs/dbraw/zinc/62/18/31/679621831.db2.gz XBZNJMGBMOZQSA-FQEVSTJZSA-N 1 2 330.472 2.139 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC(C3CC3)C3CC3)C2)C1 ZINC000972696456 679621832 /nfs/dbraw/zinc/62/18/32/679621832.db2.gz XBZNJMGBMOZQSA-FQEVSTJZSA-N 1 2 330.472 2.139 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)s1 ZINC001024395159 679888786 /nfs/dbraw/zinc/88/87/86/679888786.db2.gz QSXHVYALJWLGSS-AWEZNQCLSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1cnc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)s1 ZINC001024395159 679888787 /nfs/dbraw/zinc/88/87/87/679888787.db2.gz QSXHVYALJWLGSS-AWEZNQCLSA-N 1 2 343.456 2.436 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+](Cc2nnc(C)s2)C1 ZINC001028593163 681248992 /nfs/dbraw/zinc/24/89/92/681248992.db2.gz GOVDVCLLFYLAFB-CQSZACIVSA-N 1 2 345.472 2.086 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+](Cc2nnc(C)s2)C1 ZINC001028593163 681248993 /nfs/dbraw/zinc/24/89/93/681248993.db2.gz GOVDVCLLFYLAFB-CQSZACIVSA-N 1 2 345.472 2.086 20 30 EEEDLO Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c1C ZINC001028453160 681454518 /nfs/dbraw/zinc/45/45/18/681454518.db2.gz VVOQIOLFECZWOA-ZDUSSCGKSA-N 1 2 343.456 2.212 20 30 EEEDLO Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c1C ZINC001028453160 681454521 /nfs/dbraw/zinc/45/45/21/681454521.db2.gz VVOQIOLFECZWOA-ZDUSSCGKSA-N 1 2 343.456 2.212 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC000937406505 682916766 /nfs/dbraw/zinc/91/67/66/682916766.db2.gz ASYSKSHWPWBUEI-HZPDHXFCSA-N 1 2 344.459 2.250 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC000983708203 683148340 /nfs/dbraw/zinc/14/83/40/683148340.db2.gz PQDZJFWCOSMGCP-HZPDHXFCSA-N 1 2 344.459 2.242 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000973761107 683446198 /nfs/dbraw/zinc/44/61/98/683446198.db2.gz WKMYTMKGMRDCFX-HOCLYGCPSA-N 1 2 344.459 2.004 20 30 EEEDLO C=CCCn1cc(C(=O)NC2C[NH+](Cc3ccc(C)cc3C)C2)nn1 ZINC001031079937 683691737 /nfs/dbraw/zinc/69/17/37/683691737.db2.gz PWRIJBNLEMOFOH-UHFFFAOYSA-N 1 2 339.443 2.085 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](CCCc2ccsc2)C1 ZINC001031088489 683712019 /nfs/dbraw/zinc/71/20/19/683712019.db2.gz YOKTUBIHAGDMSD-IRXDYDNUSA-N 1 2 334.485 2.462 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ccon2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993046609 683794403 /nfs/dbraw/zinc/79/44/03/683794403.db2.gz FCNBWSBLMXELCC-FZMZJTMJSA-N 1 2 330.413 2.391 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ccon2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993046609 683794405 /nfs/dbraw/zinc/79/44/05/683794405.db2.gz FCNBWSBLMXELCC-FZMZJTMJSA-N 1 2 330.413 2.391 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cnsn2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993115612 683942545 /nfs/dbraw/zinc/94/25/45/683942545.db2.gz PNJHAMHWNYNDRH-GWCFXTLKSA-N 1 2 347.469 2.254 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cnsn2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993115612 683942548 /nfs/dbraw/zinc/94/25/48/683942548.db2.gz PNJHAMHWNYNDRH-GWCFXTLKSA-N 1 2 347.469 2.254 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cn[nH]c2)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000993119743 683951089 /nfs/dbraw/zinc/95/10/89/683951089.db2.gz VVFUSXKFZKIHGN-YVEFUNNKSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cn[nH]c2)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000993119743 683951093 /nfs/dbraw/zinc/95/10/93/683951093.db2.gz VVFUSXKFZKIHGN-YVEFUNNKSA-N 1 2 341.390 2.203 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)[C@@H](C)c3ncccn3)C2)cn1 ZINC001027655757 693809687 /nfs/dbraw/zinc/80/96/87/693809687.db2.gz BLTGIAZIRGAQRJ-YJBOKZPZSA-N 1 2 349.438 2.151 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)[C@@H](C)c3ncccn3)C2)cn1 ZINC001027655757 693809690 /nfs/dbraw/zinc/80/96/90/693809690.db2.gz BLTGIAZIRGAQRJ-YJBOKZPZSA-N 1 2 349.438 2.151 20 30 EEEDLO N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)s1 ZINC001026855388 685190271 /nfs/dbraw/zinc/19/02/71/685190271.db2.gz GIOCFXHJJGVQMX-JOYOIKCWSA-N 1 2 349.353 2.458 20 30 EEEDLO N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)s1 ZINC001026855388 685190277 /nfs/dbraw/zinc/19/02/77/685190277.db2.gz GIOCFXHJJGVQMX-JOYOIKCWSA-N 1 2 349.353 2.458 20 30 EEEDLO N#Cc1cccc(C[NH2+]C[C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)c1 ZINC001026855385 685190412 /nfs/dbraw/zinc/19/04/12/685190412.db2.gz GGRUQVWMISGYLF-ZIAGYGMSSA-N 1 2 343.324 2.397 20 30 EEEDLO N#Cc1cccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)c1 ZINC001026855385 685190416 /nfs/dbraw/zinc/19/04/16/685190416.db2.gz GGRUQVWMISGYLF-ZIAGYGMSSA-N 1 2 343.324 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cncc(COC)c2)C(C)(C)C1 ZINC000974682342 685230277 /nfs/dbraw/zinc/23/02/77/685230277.db2.gz XAXKVLIDAVLNOB-OAHLLOKOSA-N 1 2 337.851 2.421 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cncc(COC)c2)C(C)(C)C1 ZINC000974682342 685230282 /nfs/dbraw/zinc/23/02/82/685230282.db2.gz XAXKVLIDAVLNOB-OAHLLOKOSA-N 1 2 337.851 2.421 20 30 EEEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000928642582 685799075 /nfs/dbraw/zinc/79/90/75/685799075.db2.gz AIZIKYOIOUKQHW-QGZVFWFLSA-N 1 2 329.444 2.328 20 30 EEEDLO C[N@H+](Cc1cscn1)[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001027367249 687745375 /nfs/dbraw/zinc/74/53/75/687745375.db2.gz WTLPCGSYWNJYGD-AWEZNQCLSA-N 1 2 329.429 2.079 20 30 EEEDLO C[N@@H+](Cc1cscn1)[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001027367249 687745378 /nfs/dbraw/zinc/74/53/78/687745378.db2.gz WTLPCGSYWNJYGD-AWEZNQCLSA-N 1 2 329.429 2.079 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)no1 ZINC001027739506 694258647 /nfs/dbraw/zinc/25/86/47/694258647.db2.gz QDTUTSNSIFNRLL-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)no1 ZINC001027739506 694258650 /nfs/dbraw/zinc/25/86/50/694258650.db2.gz QDTUTSNSIFNRLL-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)on1 ZINC001027752216 694317059 /nfs/dbraw/zinc/31/70/59/694317059.db2.gz WIOQZMHEDDAMIH-GFCCVEGCSA-N 1 2 330.413 2.311 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)on1 ZINC001027752216 694317063 /nfs/dbraw/zinc/31/70/63/694317063.db2.gz WIOQZMHEDDAMIH-GFCCVEGCSA-N 1 2 330.413 2.311 20 30 EEEDLO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)c1ccon1 ZINC001027767066 694412853 /nfs/dbraw/zinc/41/28/53/694412853.db2.gz YAZILXVQVFCSEU-MRXNPFEDSA-N 1 2 327.359 2.060 20 30 EEEDLO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)c1ccon1 ZINC001027767066 694412856 /nfs/dbraw/zinc/41/28/56/694412856.db2.gz YAZILXVQVFCSEU-MRXNPFEDSA-N 1 2 327.359 2.060 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@H]([NH2+]Cc2nnc(CC)o2)C[C@H]1C ZINC000988971174 691337351 /nfs/dbraw/zinc/33/73/51/691337351.db2.gz ZVUPTTJGRHIVBF-ZIAGYGMSSA-N 1 2 343.431 2.012 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)c1cscn1 ZINC001027782604 694462740 /nfs/dbraw/zinc/46/27/40/694462740.db2.gz VGUJUFWQQVFDBA-HNNXBMFYSA-N 1 2 326.425 2.409 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)c1cscn1 ZINC001027782604 694462742 /nfs/dbraw/zinc/46/27/42/694462742.db2.gz VGUJUFWQQVFDBA-HNNXBMFYSA-N 1 2 326.425 2.409 20 30 EEEDLO C=C[C@@H](C(=O)N1CCC[N@@H+](Cc2cncn2C)CC1)c1ccccc1 ZINC000989717808 692218452 /nfs/dbraw/zinc/21/84/52/692218452.db2.gz KVJNPRJAWJLPSR-LJQANCHMSA-N 1 2 338.455 2.424 20 30 EEEDLO C=C[C@@H](C(=O)N1CCC[N@H+](Cc2cncn2C)CC1)c1ccccc1 ZINC000989717808 692218457 /nfs/dbraw/zinc/21/84/57/692218457.db2.gz KVJNPRJAWJLPSR-LJQANCHMSA-N 1 2 338.455 2.424 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C)C1 ZINC000989792107 692322753 /nfs/dbraw/zinc/32/27/53/692322753.db2.gz IGVLEICZCAIXES-XHSDSOJGSA-N 1 2 344.459 2.296 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@H+](Cc2nccs2)CC1(C)C ZINC000977326938 692490885 /nfs/dbraw/zinc/49/08/85/692490885.db2.gz MMUUGTMREFGHGD-DZKIICNBSA-N 1 2 349.500 2.451 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@@H+](Cc2nccs2)CC1(C)C ZINC000977326938 692490886 /nfs/dbraw/zinc/49/08/86/692490886.db2.gz MMUUGTMREFGHGD-DZKIICNBSA-N 1 2 349.500 2.451 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2noc3c2COCC3)C1 ZINC001027521874 692614858 /nfs/dbraw/zinc/61/48/58/692614858.db2.gz MZTIZKZEUFHITF-CQSZACIVSA-N 1 2 347.459 2.382 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc3c2COCC3)C1 ZINC001027521874 692614861 /nfs/dbraw/zinc/61/48/61/692614861.db2.gz MZTIZKZEUFHITF-CQSZACIVSA-N 1 2 347.459 2.382 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cn(C)nc2Cl)C(C)(C)C1 ZINC000977448157 692633109 /nfs/dbraw/zinc/63/31/09/692633109.db2.gz YITLECUOCOMHEH-NSHDSACASA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cn(C)nc2Cl)C(C)(C)C1 ZINC000977448157 692633113 /nfs/dbraw/zinc/63/31/13/692633113.db2.gz YITLECUOCOMHEH-NSHDSACASA-N 1 2 331.247 2.266 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCC[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060042681 693020663 /nfs/dbraw/zinc/02/06/63/693020663.db2.gz ZEAHGKKZXUOOPU-CVEARBPZSA-N 1 2 346.475 2.218 20 30 EEEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CCN2C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000978330758 693489516 /nfs/dbraw/zinc/48/95/16/693489516.db2.gz QOFGKUABHZJWQF-INIZCTEOSA-N 1 2 344.459 2.148 20 30 EEEDLO C[C@H]1C[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)CCO1 ZINC001032076345 1192221797 /nfs/dbraw/zinc/22/17/97/1192221797.db2.gz BZQPYHKMPLVBOS-BBRMVZONSA-N 1 2 345.418 2.060 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2oncc2C)[C@@H](C)C1 ZINC000943814671 1192580003 /nfs/dbraw/zinc/58/00/03/1192580003.db2.gz IYFCWAHQIRBFQQ-JQWIXIFHSA-N 1 2 342.237 2.332 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2oncc2C)[C@@H](C)C1 ZINC000943814671 1192580005 /nfs/dbraw/zinc/58/00/05/1192580005.db2.gz IYFCWAHQIRBFQQ-JQWIXIFHSA-N 1 2 342.237 2.332 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)c3cc(Cl)no3)C2)c1 ZINC001032144134 1192774178 /nfs/dbraw/zinc/77/41/78/1192774178.db2.gz NSYBVUPEIFHRGR-UHFFFAOYSA-N 1 2 348.765 2.201 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@H]([NH2+]Cc2ncc(CC)o2)C1 ZINC001267015859 1178092476 /nfs/dbraw/zinc/09/24/76/1178092476.db2.gz VONGUFSYNZASLW-KSSFIOAISA-N 1 2 335.448 2.156 20 30 EEEDLO CCn1cccc1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032189173 1192922833 /nfs/dbraw/zinc/92/28/33/1192922833.db2.gz LFWFVSPKVXBKPY-UHFFFAOYSA-N 1 2 340.402 2.381 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1scc2c1OCCO2 ZINC001481009749 1179483001 /nfs/dbraw/zinc/48/30/01/1179483001.db2.gz LXBTUURNDZWLGC-UHFFFAOYSA-N 1 2 330.837 2.324 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1scc2c1OCCO2 ZINC001481009749 1179483006 /nfs/dbraw/zinc/48/30/06/1179483006.db2.gz LXBTUURNDZWLGC-UHFFFAOYSA-N 1 2 330.837 2.324 20 30 EEEDLO CC(C)C(=O)NCC[NH+]1CCN(CC#Cc2ccccc2Cl)CC1 ZINC001752362563 1179745932 /nfs/dbraw/zinc/74/59/32/1179745932.db2.gz GKAWJMIQFHZYJN-UHFFFAOYSA-N 1 2 347.890 2.081 20 30 EEEDLO CC(C)[C@H](CNC(=O)Cn1cc[nH+]c1)Nc1ncc(C#N)cc1Cl ZINC001105196468 1180734309 /nfs/dbraw/zinc/73/43/09/1180734309.db2.gz MEHSJRHGQFDZBA-AWEZNQCLSA-N 1 2 346.822 2.056 20 30 EEEDLO CO[C@H]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032221050 1193213681 /nfs/dbraw/zinc/21/36/81/1193213681.db2.gz WCBRVXLVMKOCQJ-MOPGFXCFSA-N 1 2 341.455 2.311 20 30 EEEDLO CC1=CCC=C[C@@H]1C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001269003280 1183890228 /nfs/dbraw/zinc/89/02/28/1183890228.db2.gz LRYQNBPGLNPTCG-SFHVURJKSA-N 1 2 336.439 2.063 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000945041471 1193324187 /nfs/dbraw/zinc/32/41/87/1193324187.db2.gz ZKBIKKSLEGAKQX-GOSISDBHSA-N 1 2 344.459 2.006 20 30 EEEDLO C[NH+](C)Cc1nc(CSCCNc2cc(C#N)cnn2)cs1 ZINC001168105781 1186749538 /nfs/dbraw/zinc/74/95/38/1186749538.db2.gz AVHOLGGHTQTMBL-UHFFFAOYSA-N 1 2 334.474 2.212 20 30 EEEDLO Cc1csc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)n1 ZINC001088533463 1187177942 /nfs/dbraw/zinc/17/79/42/1187177942.db2.gz SVCHYYAPHKSAAZ-RISCZKNCSA-N 1 2 329.429 2.044 20 30 EEEDLO Cc1csc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)n1 ZINC001088533463 1187177944 /nfs/dbraw/zinc/17/79/44/1187177944.db2.gz SVCHYYAPHKSAAZ-RISCZKNCSA-N 1 2 329.429 2.044 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cccnc1N1CCCC1 ZINC001482611179 1187386555 /nfs/dbraw/zinc/38/65/55/1187386555.db2.gz PPIVKHVBBPSALI-UHFFFAOYSA-N 1 2 336.867 2.438 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cccnc1N1CCCC1 ZINC001482611179 1187386558 /nfs/dbraw/zinc/38/65/58/1187386558.db2.gz PPIVKHVBBPSALI-UHFFFAOYSA-N 1 2 336.867 2.438 20 30 EEEDLO CC/C=C(/C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001211964638 1187490188 /nfs/dbraw/zinc/49/01/88/1187490188.db2.gz UDCHMLHZSVYKQK-HKCUQPEYSA-N 1 2 345.418 2.369 20 30 EEEDLO CC/C=C(/C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001211964638 1187490193 /nfs/dbraw/zinc/49/01/93/1187490193.db2.gz UDCHMLHZSVYKQK-HKCUQPEYSA-N 1 2 345.418 2.369 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccnc2-n2cccn2)[C@H]1C ZINC001088786619 1188510312 /nfs/dbraw/zinc/51/03/12/1188510312.db2.gz RKIFFVHTIIAUKT-HIFRSBDPSA-N 1 2 345.834 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccnc2-n2cccn2)[C@H]1C ZINC001088786619 1188510313 /nfs/dbraw/zinc/51/03/13/1188510313.db2.gz RKIFFVHTIIAUKT-HIFRSBDPSA-N 1 2 345.834 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4O3)[C@@H]2C1 ZINC001076010015 1188659113 /nfs/dbraw/zinc/65/91/13/1188659113.db2.gz HFPQUWPNNPDDIZ-UXLLHSPISA-N 1 2 332.831 2.275 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4O3)[C@@H]2C1 ZINC001076010015 1188659116 /nfs/dbraw/zinc/65/91/16/1188659116.db2.gz HFPQUWPNNPDDIZ-UXLLHSPISA-N 1 2 332.831 2.275 20 30 EEEDLO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-c4nnc[nH]4)c3)[C@@H]2C1 ZINC001076122160 1188728829 /nfs/dbraw/zinc/72/88/29/1188728829.db2.gz NQIVJDYOOHAJPI-DLBZAZTESA-N 1 2 337.427 2.194 20 30 EEEDLO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(-c4nnc[nH]4)c3)[C@@H]2C1 ZINC001076122160 1188728831 /nfs/dbraw/zinc/72/88/31/1188728831.db2.gz NQIVJDYOOHAJPI-DLBZAZTESA-N 1 2 337.427 2.194 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001076545728 1188987388 /nfs/dbraw/zinc/98/73/88/1188987388.db2.gz IGFJUJVUGAAJLT-LSDHHAIUSA-N 1 2 334.464 2.448 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)C[C@@H]3C=CCC3)CC2)C1 ZINC001105684579 1189243827 /nfs/dbraw/zinc/24/38/27/1189243827.db2.gz BKVQNLDQTKXWKP-QGZVFWFLSA-N 1 2 348.487 2.237 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001076988130 1189269769 /nfs/dbraw/zinc/26/97/69/1189269769.db2.gz VDTPNZSBOLDZQK-IRXDYDNUSA-N 1 2 346.475 2.141 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001077106334 1189339062 /nfs/dbraw/zinc/33/90/62/1189339062.db2.gz HSIRLLXNKQTOPD-LSDHHAIUSA-N 1 2 346.475 2.059 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CCC(OC2C[NH+](CC(=C)C)C2)CC1 ZINC001105695220 1189665689 /nfs/dbraw/zinc/66/56/89/1189665689.db2.gz HPHSLSGGHSWWHN-MRXNPFEDSA-N 1 2 336.476 2.236 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CCC(OC2C[NH+](CC(=C)C)C2)CC1 ZINC001105695219 1189668448 /nfs/dbraw/zinc/66/84/48/1189668448.db2.gz HPHSLSGGHSWWHN-INIZCTEOSA-N 1 2 336.476 2.236 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)CC(C)(C)CNC(=O)[C@@H](C)C#N)c(C)[nH+]1 ZINC001486769853 1194229487 /nfs/dbraw/zinc/22/94/87/1194229487.db2.gz CMCPXAIWIKRZDE-ZDUSSCGKSA-N 1 2 344.459 2.381 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2NC(=O)c3ccccc32)C1 ZINC001033520668 1194669977 /nfs/dbraw/zinc/66/99/77/1194669977.db2.gz UPSHRUZORYSGLY-CZUORRHYSA-N 1 2 347.846 2.146 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2NC(=O)c3ccccc32)C1 ZINC001033520668 1194669978 /nfs/dbraw/zinc/66/99/78/1194669978.db2.gz UPSHRUZORYSGLY-CZUORRHYSA-N 1 2 347.846 2.146 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2CC2(F)F)CC1 ZINC001005360211 1195270844 /nfs/dbraw/zinc/27/08/44/1195270844.db2.gz FYTKJJOGRLKMKZ-LLVKDONJSA-N 1 2 337.208 2.473 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001033800955 1195273175 /nfs/dbraw/zinc/27/31/75/1195273175.db2.gz FOHQDVCQCHDGJM-UKRRQHHQSA-N 1 2 341.415 2.480 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001033800955 1195273178 /nfs/dbraw/zinc/27/31/78/1195273178.db2.gz FOHQDVCQCHDGJM-UKRRQHHQSA-N 1 2 341.415 2.480 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cncc3ncn(C)c32)C1 ZINC001033860305 1195403725 /nfs/dbraw/zinc/40/37/25/1195403725.db2.gz WHNCCZSWLTUEAB-ZDUSSCGKSA-N 1 2 347.850 2.257 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cncc3ncn(C)c32)C1 ZINC001033860305 1195403726 /nfs/dbraw/zinc/40/37/26/1195403726.db2.gz WHNCCZSWLTUEAB-ZDUSSCGKSA-N 1 2 347.850 2.257 20 30 EEEDLO C[C@@H](CCCCNc1ccc(C#N)nc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001090169824 1195537576 /nfs/dbraw/zinc/53/75/76/1195537576.db2.gz WDHGQUJYKIPUBP-AWEZNQCLSA-N 1 2 340.431 2.396 20 30 EEEDLO C[C@@H](CCCCNc1ccc(C#N)nc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001090169824 1195537578 /nfs/dbraw/zinc/53/75/78/1195537578.db2.gz WDHGQUJYKIPUBP-AWEZNQCLSA-N 1 2 340.431 2.396 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001034110626 1195791595 /nfs/dbraw/zinc/79/15/95/1195791595.db2.gz OXNBRXSTLNPKGQ-KGLIPLIRSA-N 1 2 345.281 2.435 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001034110626 1195791600 /nfs/dbraw/zinc/79/16/00/1195791600.db2.gz OXNBRXSTLNPKGQ-KGLIPLIRSA-N 1 2 345.281 2.435 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@H+](Cc2ncccc2C)CCO1 ZINC001108118984 1195898288 /nfs/dbraw/zinc/89/82/88/1195898288.db2.gz GXWBRTUCSZUFGN-LJQANCHMSA-N 1 2 331.460 2.309 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@@H+](Cc2ncccc2C)CCO1 ZINC001108118984 1195898290 /nfs/dbraw/zinc/89/82/90/1195898290.db2.gz GXWBRTUCSZUFGN-LJQANCHMSA-N 1 2 331.460 2.309 20 30 EEEDLO O=C(N[C@H]1CCCC[N@H+](CC#Cc2ccccc2)C1)c1ncccc1O ZINC001034180761 1195920585 /nfs/dbraw/zinc/92/05/85/1195920585.db2.gz GSNMTCWVPBSMJN-SFHVURJKSA-N 1 2 349.434 2.423 20 30 EEEDLO O=C(N[C@H]1CCCC[N@@H+](CC#Cc2ccccc2)C1)c1ncccc1O ZINC001034180761 1195920588 /nfs/dbraw/zinc/92/05/88/1195920588.db2.gz GSNMTCWVPBSMJN-SFHVURJKSA-N 1 2 349.434 2.423 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+](Cc3nn(CC)nc3C)C2)C1 ZINC001034389301 1196175190 /nfs/dbraw/zinc/17/51/90/1196175190.db2.gz OUNJVANNKPFASD-MRXNPFEDSA-N 1 2 345.491 2.433 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+](Cc3nn(CC)nc3C)C2)C1 ZINC001034389301 1196175193 /nfs/dbraw/zinc/17/51/93/1196175193.db2.gz OUNJVANNKPFASD-MRXNPFEDSA-N 1 2 345.491 2.433 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnc3c(cnn3C)c2)C1 ZINC001034457491 1196258365 /nfs/dbraw/zinc/25/83/65/1196258365.db2.gz DUQURRNXZXJEFE-HNNXBMFYSA-N 1 2 347.850 2.305 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnc3c(cnn3C)c2)C1 ZINC001034457491 1196258367 /nfs/dbraw/zinc/25/83/67/1196258367.db2.gz DUQURRNXZXJEFE-HNNXBMFYSA-N 1 2 347.850 2.305 20 30 EEEDLO CC1(C(=O)NC[C@]2(C)C[N@H+](Cc3cccc(C#N)c3)CCO2)CCC1 ZINC001108129884 1196337370 /nfs/dbraw/zinc/33/73/70/1196337370.db2.gz PQZDYQZULWMDSX-HXUWFJFHSA-N 1 2 341.455 2.456 20 30 EEEDLO CC1(C(=O)NC[C@]2(C)C[N@@H+](Cc3cccc(C#N)c3)CCO2)CCC1 ZINC001108129884 1196337375 /nfs/dbraw/zinc/33/73/75/1196337375.db2.gz PQZDYQZULWMDSX-HXUWFJFHSA-N 1 2 341.455 2.456 20 30 EEEDLO C[C@H](CNc1ncc(C#N)cc1Cl)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001108137304 1196512346 /nfs/dbraw/zinc/51/23/46/1196512346.db2.gz PNIOWPQMCGFWOZ-NEPJUHHUSA-N 1 2 346.822 2.371 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)[C@](C)(CNc2[nH+]cnc3c2cnn3C)C1 ZINC001090254132 1196646511 /nfs/dbraw/zinc/64/65/11/1196646511.db2.gz VSWWOVYURXMRLH-FZKQIMNGSA-N 1 2 342.447 2.226 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001078987736 1196712371 /nfs/dbraw/zinc/71/23/71/1196712371.db2.gz AAGVKWLEEWKGGT-INIZCTEOSA-N 1 2 332.448 2.148 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001078987736 1196712374 /nfs/dbraw/zinc/71/23/74/1196712374.db2.gz AAGVKWLEEWKGGT-INIZCTEOSA-N 1 2 332.448 2.148 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001014800657 1224368309 /nfs/dbraw/zinc/36/83/09/1224368309.db2.gz JRMTVZBJLBROFR-KYJSFNMBSA-N 1 2 345.418 2.203 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001014800657 1224368314 /nfs/dbraw/zinc/36/83/14/1224368314.db2.gz JRMTVZBJLBROFR-KYJSFNMBSA-N 1 2 345.418 2.203 20 30 EEEDLO CCOCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(C#N)ccc2F)C1=O ZINC001273206163 1197536418 /nfs/dbraw/zinc/53/64/18/1197536418.db2.gz PGKYOVJWSUDWJQ-LJQANCHMSA-N 1 2 345.418 2.301 20 30 EEEDLO CCOCCN1CC[C@]2(CCC[N@H+]2Cc2cc(C#N)ccc2F)C1=O ZINC001273206163 1197536419 /nfs/dbraw/zinc/53/64/19/1197536419.db2.gz PGKYOVJWSUDWJQ-LJQANCHMSA-N 1 2 345.418 2.301 20 30 EEEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Cl)nn1 ZINC001273346502 1198262038 /nfs/dbraw/zinc/26/20/38/1198262038.db2.gz KAIXRMRECBWQJG-KRWDZBQOSA-N 1 2 347.850 2.391 20 30 EEEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Cl)nn1 ZINC001273346502 1198262040 /nfs/dbraw/zinc/26/20/40/1198262040.db2.gz KAIXRMRECBWQJG-KRWDZBQOSA-N 1 2 347.850 2.391 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(c3ccccc3)C2)C1 ZINC001014889346 1224498083 /nfs/dbraw/zinc/49/80/83/1224498083.db2.gz BUBNCXUSTWMFBI-CVEARBPZSA-N 1 2 333.863 2.456 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCN(c3ccccc3)C2)C1 ZINC001014889346 1224498085 /nfs/dbraw/zinc/49/80/85/1224498085.db2.gz BUBNCXUSTWMFBI-CVEARBPZSA-N 1 2 333.863 2.456 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(OCC)cc1 ZINC001018240971 1224513316 /nfs/dbraw/zinc/51/33/16/1224513316.db2.gz TVWVTRRGXPIWGZ-CALCHBBNSA-N 1 2 342.439 2.163 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(OCC)cc1 ZINC001018240971 1224513324 /nfs/dbraw/zinc/51/33/24/1224513324.db2.gz TVWVTRRGXPIWGZ-CALCHBBNSA-N 1 2 342.439 2.163 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2c(C)oc(C)c2C)CC[C@H]1C ZINC001132161116 1199396316 /nfs/dbraw/zinc/39/63/16/1199396316.db2.gz XFGPFOUFPKXCOL-WBMJQRKESA-N 1 2 347.459 2.090 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2c(C)oc(C)c2C)CC[C@H]1C ZINC001132161116 1199396322 /nfs/dbraw/zinc/39/63/22/1199396322.db2.gz XFGPFOUFPKXCOL-WBMJQRKESA-N 1 2 347.459 2.090 20 30 EEEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3cccc(C#N)n3)CC2)cc1 ZINC000810442448 1199524734 /nfs/dbraw/zinc/52/47/34/1199524734.db2.gz TVJXKAHHGCAZIK-UHFFFAOYSA-N 1 2 349.438 2.418 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3cnnn3C)C2)CC1 ZINC001132290154 1199543348 /nfs/dbraw/zinc/54/33/48/1199543348.db2.gz AVTZDYVTCPKYSO-GJZGRUSLSA-N 1 2 331.464 2.031 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3cnnn3C)C2)CC1 ZINC001132290154 1199543353 /nfs/dbraw/zinc/54/33/53/1199543353.db2.gz AVTZDYVTCPKYSO-GJZGRUSLSA-N 1 2 331.464 2.031 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC2CC2)C1 ZINC001132327628 1199573195 /nfs/dbraw/zinc/57/31/95/1199573195.db2.gz SGDZVERVFYZPIJ-GDBMZVCRSA-N 1 2 335.492 2.084 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC2CC2)C1 ZINC001132327628 1199573198 /nfs/dbraw/zinc/57/31/98/1199573198.db2.gz SGDZVERVFYZPIJ-GDBMZVCRSA-N 1 2 335.492 2.084 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2cc(C)ccc2F)CC[C@H]1C ZINC001132323439 1199590082 /nfs/dbraw/zinc/59/00/82/1199590082.db2.gz ZZNYMXMVCCMNLF-HUUCEWRRSA-N 1 2 347.434 2.019 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2cc(C)ccc2F)CC[C@H]1C ZINC001132323439 1199590084 /nfs/dbraw/zinc/59/00/84/1199590084.db2.gz ZZNYMXMVCCMNLF-HUUCEWRRSA-N 1 2 347.434 2.019 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(Cc2ccccc2)no1 ZINC001132398694 1199657157 /nfs/dbraw/zinc/65/71/57/1199657157.db2.gz KNJIUXKLVHGOTN-UHFFFAOYSA-N 1 2 328.416 2.078 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCC(=O)NC(C)C)CC[C@H]1C ZINC001132429613 1199695542 /nfs/dbraw/zinc/69/55/42/1199695542.db2.gz NHJDKSCJBSXPKU-CABCVRRESA-N 1 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1208856961 /nfs/dbraw/zinc/85/69/61/1208856961.db2.gz PDATUJUDHIKOAQ-GOEBONIOSA-N 1 2 337.427 2.078 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000948204199 1208940984 /nfs/dbraw/zinc/94/09/84/1208940984.db2.gz ZIEXTLUSFOCSGI-CLCXKQKWSA-N 1 2 344.459 2.223 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000948204199 1208940986 /nfs/dbraw/zinc/94/09/86/1208940986.db2.gz ZIEXTLUSFOCSGI-CLCXKQKWSA-N 1 2 344.459 2.223 20 30 EEEDLO NC(Cc1cccnc1)=[NH+]OCCOCC(F)(F)C(F)(F)F ZINC000189321399 1209125443 /nfs/dbraw/zinc/12/54/43/1209125443.db2.gz WDFBRYBXXDEWSD-UHFFFAOYSA-N 1 2 327.253 2.127 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnn(C)c1C ZINC000948893685 1209441185 /nfs/dbraw/zinc/44/11/85/1209441185.db2.gz CAAXHRJZBABAEQ-LJQANCHMSA-N 1 2 336.439 2.081 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnn(C)c1C ZINC000948893685 1209441186 /nfs/dbraw/zinc/44/11/86/1209441186.db2.gz CAAXHRJZBABAEQ-LJQANCHMSA-N 1 2 336.439 2.081 20 30 EEEDLO C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1[nH]nc(C)c1C ZINC000948898663 1209443105 /nfs/dbraw/zinc/44/31/05/1209443105.db2.gz LDSASIPJGXRTSG-SFHVURJKSA-N 1 2 336.439 2.379 20 30 EEEDLO C#CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1[nH]nc(C)c1C ZINC000948898663 1209443107 /nfs/dbraw/zinc/44/31/07/1209443107.db2.gz LDSASIPJGXRTSG-SFHVURJKSA-N 1 2 336.439 2.379 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cn(CC)cn1 ZINC000948981307 1209486993 /nfs/dbraw/zinc/48/69/93/1209486993.db2.gz AFIAFGKQBQOIKI-IBGZPJMESA-N 1 2 336.439 2.256 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cn(CC)cn1 ZINC000948981307 1209486997 /nfs/dbraw/zinc/48/69/97/1209486997.db2.gz AFIAFGKQBQOIKI-IBGZPJMESA-N 1 2 336.439 2.256 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cn2ccccc2n1 ZINC000948982705 1209487772 /nfs/dbraw/zinc/48/77/72/1209487772.db2.gz QBJBDPWNJGGYBJ-LJQANCHMSA-N 1 2 344.418 2.297 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cn2ccccc2n1 ZINC000948982705 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1 2 333.432 2.127 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1ccncc1 ZINC001006570013 1221841030 /nfs/dbraw/zinc/84/10/30/1221841030.db2.gz GGZOKSWMQQIVDX-LJQANCHMSA-N 1 2 337.398 2.467 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)c1ccncc1 ZINC001006570013 1221841031 /nfs/dbraw/zinc/84/10/31/1221841031.db2.gz GGZOKSWMQQIVDX-LJQANCHMSA-N 1 2 337.398 2.467 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1)n1cccn1 ZINC001006787251 1221943085 /nfs/dbraw/zinc/94/30/85/1221943085.db2.gz HJUBEBZBMRTGMX-CRAIPNDOSA-N 1 2 337.427 2.097 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)n1cccn1 ZINC001006787251 1221943090 /nfs/dbraw/zinc/94/30/90/1221943090.db2.gz HJUBEBZBMRTGMX-CRAIPNDOSA-N 1 2 337.427 2.097 20 30 EEEDLO CCc1cc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)[nH]n1 ZINC001006799253 1221950467 /nfs/dbraw/zinc/95/04/67/1221950467.db2.gz QNBARBWBKCWGBV-GOSISDBHSA-N 1 2 336.439 2.218 20 30 EEEDLO CCc1cc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)[nH]n1 ZINC001006799253 1221950471 /nfs/dbraw/zinc/95/04/71/1221950471.db2.gz QNBARBWBKCWGBV-GOSISDBHSA-N 1 2 336.439 2.218 20 30 EEEDLO Cc1ocnc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001006871891 1221992289 /nfs/dbraw/zinc/99/22/89/1221992289.db2.gz OPFXEJGVZRDNIF-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ocnc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001006871891 1221992292 /nfs/dbraw/zinc/99/22/92/1221992292.db2.gz OPFXEJGVZRDNIF-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)c1C ZINC001006942337 1222024972 /nfs/dbraw/zinc/02/49/72/1222024972.db2.gz ASGOAEGMFKLYBQ-ZDUSSCGKSA-N 1 2 343.456 2.354 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)c1C ZINC001006942337 1222024977 /nfs/dbraw/zinc/02/49/77/1222024977.db2.gz ASGOAEGMFKLYBQ-ZDUSSCGKSA-N 1 2 343.456 2.354 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)Cc2cccnc2)C1 ZINC001007116364 1222099931 /nfs/dbraw/zinc/09/99/31/1222099931.db2.gz JKIZUYHTQHOYON-IBGZPJMESA-N 1 2 334.423 2.277 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)Cc2cccnc2)C1 ZINC001007116364 1222099934 /nfs/dbraw/zinc/09/99/34/1222099934.db2.gz JKIZUYHTQHOYON-IBGZPJMESA-N 1 2 334.423 2.277 20 30 EEEDLO Cc1cn(C)nc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001007313727 1222165980 /nfs/dbraw/zinc/16/59/80/1222165980.db2.gz WGKIFQRMIZCETJ-ZDUSSCGKSA-N 1 2 343.456 2.056 20 30 EEEDLO Cc1cn(C)nc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001007313727 1222165982 /nfs/dbraw/zinc/16/59/82/1222165982.db2.gz WGKIFQRMIZCETJ-ZDUSSCGKSA-N 1 2 343.456 2.056 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)c(C)nn1 ZINC001007413531 1222214477 /nfs/dbraw/zinc/21/44/77/1222214477.db2.gz UQYUQCRVCHSIEB-LJQANCHMSA-N 1 2 348.450 2.339 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)c(C)nn1 ZINC001007413531 1222214479 /nfs/dbraw/zinc/21/44/79/1222214479.db2.gz UQYUQCRVCHSIEB-LJQANCHMSA-N 1 2 348.450 2.339 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)C2(F)CCOCC2)C1 ZINC001007477699 1222249717 /nfs/dbraw/zinc/24/97/17/1222249717.db2.gz OQQKBUJLMJRRAD-QGZVFWFLSA-N 1 2 345.418 2.158 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)C2(F)CCOCC2)C1 ZINC001007477699 1222249720 /nfs/dbraw/zinc/24/97/20/1222249720.db2.gz OQQKBUJLMJRRAD-QGZVFWFLSA-N 1 2 345.418 2.158 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001008497832 1222887108 /nfs/dbraw/zinc/88/71/08/1222887108.db2.gz QJSACLHJBDCMKM-JVPBZIDWSA-N 1 2 344.459 2.052 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001009761709 1223358933 /nfs/dbraw/zinc/35/89/33/1223358933.db2.gz MPJBMRVDMUIQMU-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001009761709 1223358935 /nfs/dbraw/zinc/35/89/35/1223358935.db2.gz MPJBMRVDMUIQMU-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)cn1 ZINC001010180600 1223591041 /nfs/dbraw/zinc/59/10/41/1223591041.db2.gz UFIVSHPTHSZPFE-KRWDZBQOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)cn1 ZINC001010180600 1223591042 /nfs/dbraw/zinc/59/10/42/1223591042.db2.gz UFIVSHPTHSZPFE-KRWDZBQOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)c1C ZINC001010391958 1223696379 /nfs/dbraw/zinc/69/63/79/1223696379.db2.gz BVVDSEVXHXYHSQ-OAHLLOKOSA-N 1 2 341.390 2.042 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)c1C ZINC001010391958 1223696381 /nfs/dbraw/zinc/69/63/81/1223696381.db2.gz BVVDSEVXHXYHSQ-OAHLLOKOSA-N 1 2 341.390 2.042 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(O)ccc3Cl)C2)c1 ZINC001010477363 1223739533 /nfs/dbraw/zinc/73/95/33/1223739533.db2.gz KALQEAIOVMTMFJ-CYBMUJFWSA-N 1 2 344.802 2.250 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3cc(O)ccc3Cl)C2)c1 ZINC001010477363 1223739535 /nfs/dbraw/zinc/73/95/35/1223739535.db2.gz KALQEAIOVMTMFJ-CYBMUJFWSA-N 1 2 344.802 2.250 20 30 EEEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C2)c[nH]1 ZINC001010668319 1223843231 /nfs/dbraw/zinc/84/32/31/1223843231.db2.gz KODLBHMWRKHPNS-HNNXBMFYSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C2)c[nH]1 ZINC001010668319 1223843234 /nfs/dbraw/zinc/84/32/34/1223843234.db2.gz KODLBHMWRKHPNS-HNNXBMFYSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)cc3F)C2)c[nH]1 ZINC001010670223 1223843757 /nfs/dbraw/zinc/84/37/57/1223843757.db2.gz PHXUPMVCNFIRQW-CQSZACIVSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)cc3F)C2)c[nH]1 ZINC001010670223 1223843760 /nfs/dbraw/zinc/84/37/60/1223843760.db2.gz PHXUPMVCNFIRQW-CQSZACIVSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)cc3F)C2)c[nH]1 ZINC001010670221 1223843799 /nfs/dbraw/zinc/84/37/99/1223843799.db2.gz PHXUPMVCNFIRQW-AWEZNQCLSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)cc3F)C2)c[nH]1 ZINC001010670221 1223843803 /nfs/dbraw/zinc/84/38/03/1223843803.db2.gz PHXUPMVCNFIRQW-AWEZNQCLSA-N 1 2 330.338 2.169 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001011145852 1224061971 /nfs/dbraw/zinc/06/19/71/1224061971.db2.gz GYDYDVQIEWFHOF-OAHLLOKOSA-N 1 2 332.448 2.107 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(NC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001014515394 1226707407 /nfs/dbraw/zinc/70/74/07/1226707407.db2.gz UEKLPBJLDUUDHG-LZQZEXGQSA-N 1 2 344.459 2.194 20 30 EEEDLO CC(C)n1nccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001014551301 1226760108 /nfs/dbraw/zinc/76/01/08/1226760108.db2.gz HGFPCRCOQIIHOO-KRWDZBQOSA-N 1 2 337.427 2.340 20 30 EEEDLO CC(C)n1nccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001014551301 1226760115 /nfs/dbraw/zinc/76/01/15/1226760115.db2.gz HGFPCRCOQIIHOO-KRWDZBQOSA-N 1 2 337.427 2.340 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2ccc(OC)cc21 ZINC001017623360 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ZINC001071653368 1254479045 /nfs/dbraw/zinc/47/90/45/1254479045.db2.gz XHAIFMWGOGGBJD-KDOFPFPSSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001071886471 1254747591 /nfs/dbraw/zinc/74/75/91/1254747591.db2.gz DUHJIHRUZOGNLB-PBHICJAKSA-N 1 2 337.427 2.373 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001071886471 1254747602 /nfs/dbraw/zinc/74/76/02/1254747602.db2.gz DUHJIHRUZOGNLB-PBHICJAKSA-N 1 2 337.427 2.373 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2c(C)nn3cccnc23)CC[C@@H]1C ZINC001072088207 1254924790 /nfs/dbraw/zinc/92/47/90/1254924790.db2.gz HVEXEPCGFMBHJE-GXTWGEPZSA-N 1 2 347.850 2.373 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2c(C)nn3cccnc23)CC[C@@H]1C ZINC001072088207 1254924795 /nfs/dbraw/zinc/92/47/95/1254924795.db2.gz HVEXEPCGFMBHJE-GXTWGEPZSA-N 1 2 347.850 2.373 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001074084573 1256679507 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336.867 2.244 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2c3c(nn2C)CCC3)CC[C@@H]1C ZINC001071986141 1295069989 /nfs/dbraw/zinc/06/99/89/1295069989.db2.gz RHJDWMYFEIHQBO-QWHCGFSZSA-N 1 2 336.867 2.244 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001073215664 1296665605 /nfs/dbraw/zinc/66/56/05/1296665605.db2.gz WBJOUAAGTFBQBN-CQSZACIVSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC(C)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001073240918 1296734307 /nfs/dbraw/zinc/73/43/07/1296734307.db2.gz SLRMNRFICGFVKY-QGZVFWFLSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccncc2CC)C1 ZINC001073670321 1297379003 /nfs/dbraw/zinc/37/90/03/1297379003.db2.gz GFVBDUGHRBGQGC-HNNXBMFYSA-N 1 2 337.851 2.217 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccncc2CC)C1 ZINC001073670321 1297379015 /nfs/dbraw/zinc/37/90/15/1297379015.db2.gz GFVBDUGHRBGQGC-HNNXBMFYSA-N 1 2 337.851 2.217 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC001074024797 1297812009 /nfs/dbraw/zinc/81/20/09/1297812009.db2.gz JDNDTHZJTKALFC-HOCLYGCPSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001074024797 1297812012 /nfs/dbraw/zinc/81/20/12/1297812012.db2.gz JDNDTHZJTKALFC-HOCLYGCPSA-N 1 2 346.475 2.298 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4cc[nH]c4c3)C[C@@H]21 ZINC001074345763 1298063483 /nfs/dbraw/zinc/06/34/83/1298063483.db2.gz GVRBOQSFLVAAPD-RBUKOAKNSA-N 1 2 337.423 2.107 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4cc[nH]c4c3)C[C@@H]21 ZINC001074345763 1298063491 /nfs/dbraw/zinc/06/34/91/1298063491.db2.gz GVRBOQSFLVAAPD-RBUKOAKNSA-N 1 2 337.423 2.107 20 30 EEEDLO CCCCCCC[N@H+]1C[C@@H](NC(=O)c2n[nH]c3ccccc32)[C@@H](O)C1 ZINC001220886020 1298572491 /nfs/dbraw/zinc/57/24/91/1298572491.db2.gz JRDJJSVRJRNHPY-SJORKVTESA-N 1 2 344.459 2.308 20 30 EEEDLO CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c3ccccc32)[C@@H](O)C1 ZINC001220886020 1298572501 /nfs/dbraw/zinc/57/25/01/1298572501.db2.gz JRDJJSVRJRNHPY-SJORKVTESA-N 1 2 344.459 2.308 20 30 EEEDLO CCCOCC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221415925 1298824527 /nfs/dbraw/zinc/82/45/27/1298824527.db2.gz KZEPLKOYYUTSFP-QZTJIDSGSA-N 1 2 327.428 2.018 20 30 EEEDLO CCCOCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001221415925 1298824544 /nfs/dbraw/zinc/82/45/44/1298824544.db2.gz KZEPLKOYYUTSFP-QZTJIDSGSA-N 1 2 327.428 2.018 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)CCC(C)C)C[C@H]21 ZINC001221424501 1298836770 /nfs/dbraw/zinc/83/67/70/1298836770.db2.gz GXPPPUNMTKMDJU-RCCFBDPRSA-N 1 2 349.519 2.426 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC(=O)N[C@@H](C)CCC(C)C)C[C@H]21 ZINC001221424501 1298836785 /nfs/dbraw/zinc/83/67/85/1298836785.db2.gz GXPPPUNMTKMDJU-RCCFBDPRSA-N 1 2 349.519 2.426 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C[C@H]21 ZINC001221539110 1298930190 /nfs/dbraw/zinc/93/01/90/1298930190.db2.gz NCFSMSDQOOLMHA-JCKWVBRZSA-N 1 2 348.393 2.036 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C[C@H]21 ZINC001221539110 1298930194 /nfs/dbraw/zinc/93/01/94/1298930194.db2.gz NCFSMSDQOOLMHA-JCKWVBRZSA-N 1 2 348.393 2.036 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001221760550 1299060741 /nfs/dbraw/zinc/06/07/41/1299060741.db2.gz JDTQDTOGAGUKFZ-CGTJXYLNSA-N 1 2 347.503 2.038 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC3CCC3)C[C@H]21 ZINC001221760550 1299060771 /nfs/dbraw/zinc/06/07/71/1299060771.db2.gz JDTQDTOGAGUKFZ-CGTJXYLNSA-N 1 2 347.503 2.038 20 30 EEEDLO CCc1nc(N2CCC[C@H]2CCCNC(=O)[C@H](C)C#N)cc(C)[nH+]1 ZINC001099841832 1299432254 /nfs/dbraw/zinc/43/22/54/1299432254.db2.gz RIBAWSPXZYHKQV-UKRRQHHQSA-N 1 2 329.448 2.372 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(Cc3ccccc3)CC2)[C@H](O)C1 ZINC001099881782 1299465648 /nfs/dbraw/zinc/46/56/48/1299465648.db2.gz JIHMPTFEEYZCMR-DLBZAZTESA-N 1 2 348.874 2.313 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(Cc3ccccc3)CC2)[C@H](O)C1 ZINC001099881782 1299465649 /nfs/dbraw/zinc/46/56/49/1299465649.db2.gz JIHMPTFEEYZCMR-DLBZAZTESA-N 1 2 348.874 2.313 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](Cc3nc(C)no3)[C@H]2C1 ZINC001223338033 1300089186 /nfs/dbraw/zinc/08/91/86/1300089186.db2.gz GSKPLGBAPOAWEF-OAGGEKHMSA-N 1 2 332.448 2.403 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(C)no3)[C@H]2C1 ZINC001223338033 1300089197 /nfs/dbraw/zinc/08/91/97/1300089197.db2.gz GSKPLGBAPOAWEF-OAGGEKHMSA-N 1 2 332.448 2.403 20 30 EEEDLO C=C(C)CCC(=O)NCC1CC[NH+](Cc2nnc(C3CC3)[nH]2)CC1 ZINC001223353433 1300099286 /nfs/dbraw/zinc/09/92/86/1300099286.db2.gz QBYXHQJRCCFEEB-UHFFFAOYSA-N 1 2 331.464 2.367 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CCC([C@H](C)Nc2cc[nH+]c(C)n2)CC1 ZINC001102065349 1300231806 /nfs/dbraw/zinc/23/18/06/1300231806.db2.gz JQJWMPICHUREFN-KBPBESRZSA-N 1 2 332.448 2.415 20 30 EEEDLO C=CCCOCC(=O)N(CCC)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102245370 1300657476 /nfs/dbraw/zinc/65/74/76/1300657476.db2.gz GFDNNFZHTAVEKO-MRXNPFEDSA-N 1 2 332.448 2.195 20 30 EEEDLO CC#CCCCC(=O)NC[C@@H]1C[N@H+](Cc2nnc(C(C)C)[nH]2)C[C@H]1C ZINC001102252506 1300679818 /nfs/dbraw/zinc/67/98/18/1300679818.db2.gz DURPEEYWBHBJOX-HZPDHXFCSA-N 1 2 345.491 2.306 20 30 EEEDLO CC#CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2nnc(C(C)C)[nH]2)C[C@H]1C ZINC001102252506 1300679823 /nfs/dbraw/zinc/67/98/23/1300679823.db2.gz DURPEEYWBHBJOX-HZPDHXFCSA-N 1 2 345.491 2.306 20 30 EEEDLO CC[C@@H](C)C(=O)N(C)CC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC001102414725 1301006186 /nfs/dbraw/zinc/00/61/86/1301006186.db2.gz CQNUGYOXPYHFSY-OAHLLOKOSA-N 1 2 346.450 2.324 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(F)(F)C(F)F)[nH]1 ZINC001225708233 1301132055 /nfs/dbraw/zinc/13/20/55/1301132055.db2.gz OPVWFLJRDWWHHA-GHMZBOCLSA-N 1 2 346.328 2.417 20 30 EEEDLO C[C@H](C#N)C(=O)NC1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC001226649770 1301493461 /nfs/dbraw/zinc/49/34/61/1301493461.db2.gz WZJJFAABMBVMSE-LLVKDONJSA-N 1 2 345.428 2.038 20 30 EEEDLO CCN(C(=O)CSCC#N)[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102787350 1301615888 /nfs/dbraw/zinc/61/58/88/1301615888.db2.gz UTBGYXADJOUDCM-HNNXBMFYSA-N 1 2 347.488 2.086 20 30 EEEDLO CCN(C(=O)[C@H](C)C#N)[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001102787619 1301616761 /nfs/dbraw/zinc/61/67/61/1301616761.db2.gz ZKPSBHHMCGNPKZ-HIFRSBDPSA-N 1 2 329.448 2.495 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)CC2(OC)CCC2)CC1 ZINC001227099107 1301687301 /nfs/dbraw/zinc/68/73/01/1301687301.db2.gz BUEUWBHTNJEBKJ-UHFFFAOYSA-N 1 2 345.281 2.435 20 30 EEEDLO CC(C)C#CC(=O)NC1CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC001227265804 1301756337 /nfs/dbraw/zinc/75/63/37/1301756337.db2.gz PTHZPWVWTIMYGG-UHFFFAOYSA-N 1 2 345.418 2.004 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CCCCN(c2cc[nH+]c(C)n2)C1 ZINC001102852844 1301769178 /nfs/dbraw/zinc/76/91/78/1301769178.db2.gz VZNYBWHHDVQFCY-GDBMZVCRSA-N 1 2 332.448 2.241 20 30 EEEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(NC(=O)OC(C)(C)C)cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227738587 1301947769 /nfs/dbraw/zinc/94/77/69/1301947769.db2.gz SVQGBZUOHKTUIU-NQPNPBMCSA-N 1 2 347.415 2.420 20 30 EEEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(NC(=O)OC(C)(C)C)cn3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227738587 1301947773 /nfs/dbraw/zinc/94/77/73/1301947773.db2.gz SVQGBZUOHKTUIU-NQPNPBMCSA-N 1 2 347.415 2.420 20 30 EEEDLO Cc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c(Br)n1 ZINC001228064435 1302080661 /nfs/dbraw/zinc/08/06/61/1302080661.db2.gz FHAKSIPQYHSGPF-NJFCNUMCSA-N 1 2 325.206 2.144 20 30 EEEDLO Cc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c(Br)n1 ZINC001228064435 1302080671 /nfs/dbraw/zinc/08/06/71/1302080671.db2.gz FHAKSIPQYHSGPF-NJFCNUMCSA-N 1 2 325.206 2.144 20 30 EEEDLO COc1ccc(F)cc1C[N@@H+]1CC[C@H]2C[C@]21C(=O)N1CC(CC#N)C1 ZINC001277274798 1302119316 /nfs/dbraw/zinc/11/93/16/1302119316.db2.gz DQCXQDAGBPXGPG-HNAYVOBHSA-N 1 2 343.402 2.171 20 30 EEEDLO COc1ccc(F)cc1C[N@H+]1CC[C@H]2C[C@]21C(=O)N1CC(CC#N)C1 ZINC001277274798 1302119321 /nfs/dbraw/zinc/11/93/21/1302119321.db2.gz DQCXQDAGBPXGPG-HNAYVOBHSA-N 1 2 343.402 2.171 20 30 EEEDLO COc1ccc(F)cc1C[NH+]1CC2(C[C@H]2C(=O)NC2(C#N)CCC2)C1 ZINC001277275360 1302121375 /nfs/dbraw/zinc/12/13/75/1302121375.db2.gz LNXNQUPAAYAMDZ-HNNXBMFYSA-N 1 2 343.402 2.219 20 30 EEEDLO CCOC(=O)c1cnoc1O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001228719911 1302407342 /nfs/dbraw/zinc/40/73/42/1302407342.db2.gz VCCQKAWMIUFOIA-OAHLLOKOSA-N 1 2 341.367 2.376 20 30 EEEDLO CCOC(=O)c1cnoc1O[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001228719911 1302407347 /nfs/dbraw/zinc/40/73/47/1302407347.db2.gz VCCQKAWMIUFOIA-OAHLLOKOSA-N 1 2 341.367 2.376 20 30 EEEDLO CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1nc(C)ccc1C#N ZINC001103364018 1302829334 /nfs/dbraw/zinc/82/93/34/1302829334.db2.gz HKNYYOWNCNRYHQ-RRFJBIMHSA-N 1 2 338.415 2.095 20 30 EEEDLO CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1nc(C)ccc1C#N ZINC001103364018 1302829355 /nfs/dbraw/zinc/82/93/55/1302829355.db2.gz HKNYYOWNCNRYHQ-RRFJBIMHSA-N 1 2 338.415 2.095 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)NC1(CNc2ccc(C#N)cn2)CCCC1 ZINC001103439212 1302963855 /nfs/dbraw/zinc/96/38/55/1302963855.db2.gz RLAXICGZCSUYLF-UHFFFAOYSA-N 1 2 338.415 2.068 20 30 EEEDLO C[C@](CNc1ccc(C#N)cn1)(NC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC001103520647 1303067096 /nfs/dbraw/zinc/06/70/96/1303067096.db2.gz ATNHAXJGXPDQEX-GOSISDBHSA-N 1 2 338.415 2.006 20 30 EEEDLO C#CCC1(C(=O)NC2CC[NH+](Cc3nnc(C)o3)CC2)CCCCC1 ZINC001230405125 1303200515 /nfs/dbraw/zinc/20/05/15/1303200515.db2.gz VXZYHBOMXPODEE-UHFFFAOYSA-N 1 2 344.459 2.432 20 30 EEEDLO N#Cc1ccc(NCc2ccc(CNC(=O)Cc3c[nH]c[nH+]3)cc2)nc1 ZINC001103666109 1303202356 /nfs/dbraw/zinc/20/23/56/1303202356.db2.gz IRHIYICBCVMRBH-UHFFFAOYSA-N 1 2 346.394 2.147 20 30 EEEDLO C[N+](C)(C)C[C@@H](CC#N)Oc1[nH]c(=O)nc2c3ccccc3oc21 ZINC001230665631 1303373708 /nfs/dbraw/zinc/37/37/08/1303373708.db2.gz HBPQTXHOTXYGBI-LLVKDONJSA-O 1 2 327.364 2.449 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C(CC)CC ZINC001230835016 1303488873 /nfs/dbraw/zinc/48/88/73/1303488873.db2.gz RREAVAZQDVVCPZ-KRWDZBQOSA-N 1 2 337.508 2.380 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C(CC)CC ZINC001230835016 1303488876 /nfs/dbraw/zinc/48/88/76/1303488876.db2.gz RREAVAZQDVVCPZ-KRWDZBQOSA-N 1 2 337.508 2.380 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)C[C@@H]1CCCO1 ZINC001230865470 1303510223 /nfs/dbraw/zinc/51/02/23/1303510223.db2.gz CUKYHGUISFWYEI-SJORKVTESA-N 1 2 345.418 2.299 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)C[C@@H]1CCCO1 ZINC001230865470 1303510227 /nfs/dbraw/zinc/51/02/27/1303510227.db2.gz CUKYHGUISFWYEI-SJORKVTESA-N 1 2 345.418 2.299 20 30 EEEDLO CO[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001230936947 1303552751 /nfs/dbraw/zinc/55/27/51/1303552751.db2.gz HYNOOTISEFPJLQ-WMLDXEAASA-N 1 2 334.847 2.259 20 30 EEEDLO CO[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001230936947 1303552756 /nfs/dbraw/zinc/55/27/56/1303552756.db2.gz HYNOOTISEFPJLQ-WMLDXEAASA-N 1 2 334.847 2.259 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C=C1CCCCC1 ZINC001230947244 1303556291 /nfs/dbraw/zinc/55/62/91/1303556291.db2.gz ASKIIWCPIAOZNS-WBVHZDCISA-N 1 2 333.476 2.100 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C=C1CCCCC1 ZINC001230947244 1303556299 /nfs/dbraw/zinc/55/62/99/1303556299.db2.gz ASKIIWCPIAOZNS-WBVHZDCISA-N 1 2 333.476 2.100 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cccc(OC)n1 ZINC001231095493 1303628120 /nfs/dbraw/zinc/62/81/20/1303628120.db2.gz QUKZLORUZGWMFC-DOTOQJQBSA-N 1 2 347.459 2.104 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cccc(OC)n1 ZINC001231095493 1303628124 /nfs/dbraw/zinc/62/81/24/1303628124.db2.gz QUKZLORUZGWMFC-DOTOQJQBSA-N 1 2 347.459 2.104 20 30 EEEDLO Cc1cc(CC(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccccc2C#N)no1 ZINC001231333327 1303736928 /nfs/dbraw/zinc/73/69/28/1303736928.db2.gz DFIHJEPNDIIJDJ-SFHVURJKSA-N 1 2 338.411 2.130 20 30 EEEDLO Cc1cc(CC(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccccc2C#N)no1 ZINC001231333327 1303736931 /nfs/dbraw/zinc/73/69/31/1303736931.db2.gz DFIHJEPNDIIJDJ-SFHVURJKSA-N 1 2 338.411 2.130 20 30 EEEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(N)nc1C ZINC001232341609 1304085725 /nfs/dbraw/zinc/08/57/25/1304085725.db2.gz BACNGFXKBOOVCX-MRXNPFEDSA-N 1 2 327.432 2.008 20 30 EEEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(N)nc1C ZINC001232341609 1304085730 /nfs/dbraw/zinc/08/57/30/1304085730.db2.gz BACNGFXKBOOVCX-MRXNPFEDSA-N 1 2 327.432 2.008 20 30 EEEDLO C#CC[NH+](CC#C)Cc1ccc(I)c(F)c1 ZINC001232490495 1304146790 /nfs/dbraw/zinc/14/67/90/1304146790.db2.gz MCMZYYDATXAFHS-UHFFFAOYSA-N 1 2 327.140 2.499 20 30 EEEDLO C#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cc(C)no2)C1 ZINC001112093951 1304228631 /nfs/dbraw/zinc/22/86/31/1304228631.db2.gz RGKVJJGCRLMUJE-ZIAGYGMSSA-N 1 2 343.349 2.265 20 30 EEEDLO C[C@H](CC(=O)N(C)CCCN(C)c1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001112183913 1304305132 /nfs/dbraw/zinc/30/51/32/1304305132.db2.gz HBHSOJXCCUVZEE-OAHLLOKOSA-N 1 2 340.431 2.086 20 30 EEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO ZINC001233079572 1304353890 /nfs/dbraw/zinc/35/38/90/1304353890.db2.gz IFFBIUOSAUZPPZ-KRWDZBQOSA-N 1 2 345.443 2.280 20 30 EEEDLO Cc1cc(C#N)ccc1C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO ZINC001233079572 1304353898 /nfs/dbraw/zinc/35/38/98/1304353898.db2.gz IFFBIUOSAUZPPZ-KRWDZBQOSA-N 1 2 345.443 2.280 20 30 EEEDLO O=C1C=C2C[N@H+](Cc3ccc(O)c4[nH]c(=O)ccc34)CC[C@@H]2S1 ZINC001233292526 1304418856 /nfs/dbraw/zinc/41/88/56/1304418856.db2.gz OIGOLXCRNMORPH-AWEZNQCLSA-N 1 2 328.393 2.420 20 30 EEEDLO O=C1C=C2C[N@@H+](Cc3ccc(O)c4[nH]c(=O)ccc34)CC[C@@H]2S1 ZINC001233292526 1304418862 /nfs/dbraw/zinc/41/88/62/1304418862.db2.gz OIGOLXCRNMORPH-AWEZNQCLSA-N 1 2 328.393 2.420 20 30 EEEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1OC ZINC001233500372 1304486071 /nfs/dbraw/zinc/48/60/71/1304486071.db2.gz 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/nfs/dbraw/zinc/46/32/53/1310463253.db2.gz KPJLKYDLVBGLHB-GDBMZVCRSA-N 1 2 343.475 2.222 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@H](Nc2[nH+]cnc3c2cnn3C)[C@H]1C ZINC001123069364 1310464726 /nfs/dbraw/zinc/46/47/26/1310464726.db2.gz ZFDCKNJQGDYFTP-OCCSQVGLSA-N 1 2 342.447 2.367 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H](Nc2cc[nH+]c(C)n2)C(C)(C)C1 ZINC001123920695 1310766804 /nfs/dbraw/zinc/76/68/04/1310766804.db2.gz PSCJLRUUOMLIJZ-ZFWWWQNUSA-N 1 2 332.448 2.415 20 30 EEEDLO C#CC1CC[NH+](CC(=O)Nc2nnc(-c3sccc3C)o2)CC1 ZINC000830345352 1314534026 /nfs/dbraw/zinc/53/40/26/1314534026.db2.gz AGDVTGHNDBPYTC-UHFFFAOYSA-N 1 2 330.413 2.390 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1c[nH]c2c1cccc2C#N ZINC001139706120 1314762241 /nfs/dbraw/zinc/76/22/41/1314762241.db2.gz MBLIUVDIBRIOJW-MKZZRHPPSA-N 1 2 339.395 2.192 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1c[nH]c2c1cccc2C#N ZINC001139706120 1314762243 /nfs/dbraw/zinc/76/22/43/1314762243.db2.gz MBLIUVDIBRIOJW-MKZZRHPPSA-N 1 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ZINC001149331320 1315947417 /nfs/dbraw/zinc/94/74/17/1315947417.db2.gz RTARLXRXBJFNJO-OAHLLOKOSA-N 1 2 347.459 2.227 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[N@H+](Cc2ccns2)CCCO1 ZINC001150080240 1316148165 /nfs/dbraw/zinc/14/81/65/1316148165.db2.gz ZDKWSXXASWHZNE-AWEZNQCLSA-N 1 2 337.489 2.453 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccns2)CCCO1 ZINC001150080240 1316148168 /nfs/dbraw/zinc/14/81/68/1316148168.db2.gz ZDKWSXXASWHZNE-AWEZNQCLSA-N 1 2 337.489 2.453 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)c2cc(-c3cc[nH]n3)n3ccccc23)CC1 ZINC001150091563 1316152295 /nfs/dbraw/zinc/15/22/95/1316152295.db2.gz VXFUGRNDDPBIMZ-UHFFFAOYSA-N 1 2 335.411 2.273 20 30 EEEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1CCCO1 ZINC001151755435 1316585857 /nfs/dbraw/zinc/58/58/57/1316585857.db2.gz LKGWPLIGJGCVOR-DYVFJYSZSA-N 1 2 333.407 2.203 20 30 EEEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)[C@@H]1CCCO1 ZINC001151755435 1316585859 /nfs/dbraw/zinc/58/58/59/1316585859.db2.gz 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Cc1ccc([C@@H](C#N)c2ccc(NC[C@@H]3C[N@@H+](C)CCO3)nn2)cc1 ZINC001155193652 1317495445 /nfs/dbraw/zinc/49/54/45/1317495445.db2.gz IPNSJWXPANWHPC-IAGOWNOFSA-N 1 2 337.427 2.183 20 30 EEEDLO C=C[C@](C)(O)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001252558603 1317636365 /nfs/dbraw/zinc/63/63/65/1317636365.db2.gz YEPFTWUGHZIQFN-FZMZJTMJSA-N 1 2 338.370 2.407 20 30 EEEDLO C=C[C@](C)(O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001252558603 1317636372 /nfs/dbraw/zinc/63/63/72/1317636372.db2.gz YEPFTWUGHZIQFN-FZMZJTMJSA-N 1 2 338.370 2.407 20 30 EEEDLO C=C[C@H](O)CNc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c[nH+]1 ZINC001253567810 1317884302 /nfs/dbraw/zinc/88/43/02/1317884302.db2.gz UFTDQPKGFWLBDO-HNNXBMFYSA-N 1 2 348.447 2.098 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1nocc1C ZINC001156214228 1317924266 /nfs/dbraw/zinc/92/42/66/1317924266.db2.gz IWZQOZOUPMOANR-LLVKDONJSA-N 1 2 330.226 2.332 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1nocc1C ZINC001156214228 1317924270 /nfs/dbraw/zinc/92/42/70/1317924270.db2.gz IWZQOZOUPMOANR-LLVKDONJSA-N 1 2 330.226 2.332 20 30 EEEDLO COC(=O)[C@]1([NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)CCOC1 ZINC001254350833 1318049103 /nfs/dbraw/zinc/04/91/03/1318049103.db2.gz AAAWUWWYGUTZGT-KVZIAJEVSA-N 1 2 346.402 2.451 20 30 EEEDLO C=CCC1(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nccn2C)CCOCC1 ZINC001156641801 1318130910 /nfs/dbraw/zinc/13/09/10/1318130910.db2.gz LOPSBVKXFGDNPK-MRXNPFEDSA-N 1 2 348.491 2.120 20 30 EEEDLO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nccn2C)CCOCC1 ZINC001156641801 1318130913 /nfs/dbraw/zinc/13/09/13/1318130913.db2.gz LOPSBVKXFGDNPK-MRXNPFEDSA-N 1 2 348.491 2.120 20 30 EEEDLO CC[C@@H](CC#N)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001255168557 1318310428 /nfs/dbraw/zinc/31/04/28/1318310428.db2.gz SIBRRLZLKQFVOR-CVEARBPZSA-N 1 2 325.416 2.481 20 30 EEEDLO C=CC[C@@H]([NH2+][C@H](C)Cc1cc(OC)c(OC)c(OC)c1)C(=O)OC ZINC001258858866 1319356545 /nfs/dbraw/zinc/35/65/45/1319356545.db2.gz VPVVZIKHNAAOKT-TZMCWYRMSA-N 1 2 337.416 2.351 20 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ZINC001159586901 1319901625 /nfs/dbraw/zinc/90/16/25/1319901625.db2.gz DVEKJQNYZNRVLG-NWDGAFQWSA-N 1 2 333.461 2.206 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NCCC2=CC[N@H+](Cc3nccs3)CC2)c1 ZINC001159732559 1319971035 /nfs/dbraw/zinc/97/10/35/1319971035.db2.gz MTHIGFHNZGKJEQ-UHFFFAOYSA-N 1 2 341.440 2.295 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NCCC2=CC[N@@H+](Cc3nccs3)CC2)c1 ZINC001159732559 1319971038 /nfs/dbraw/zinc/97/10/38/1319971038.db2.gz MTHIGFHNZGKJEQ-UHFFFAOYSA-N 1 2 341.440 2.295 20 30 EEEDLO Cc1cc(C[N@H+]2CC=C(CCNC(=O)c3c[nH]c(C#N)c3)CC2)no1 ZINC001159872429 1320009608 /nfs/dbraw/zinc/00/96/08/1320009608.db2.gz VCJUBHVOJGJZJE-UHFFFAOYSA-N 1 2 339.399 2.135 20 30 EEEDLO Cc1cc(C[N@@H+]2CC=C(CCNC(=O)c3c[nH]c(C#N)c3)CC2)no1 ZINC001159872429 1320009614 /nfs/dbraw/zinc/00/96/14/1320009614.db2.gz VCJUBHVOJGJZJE-UHFFFAOYSA-N 1 2 339.399 2.135 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NCCC1=CC[N@H+](Cc2cnon2)CC1 ZINC001160242058 1320109485 /nfs/dbraw/zinc/10/94/85/1320109485.db2.gz CDZHIXHWRXYPGK-UHFFFAOYSA-N 1 2 338.839 2.487 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2cnon2)CC1 ZINC001160242058 1320109489 /nfs/dbraw/zinc/10/94/89/1320109489.db2.gz CDZHIXHWRXYPGK-UHFFFAOYSA-N 1 2 338.839 2.487 20 30 EEEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1cc(C#N)c2ccccc2n1 ZINC001160695506 1320238068 /nfs/dbraw/zinc/23/80/68/1320238068.db2.gz FKBRQAGOLMWAOF-MRXNPFEDSA-N 1 2 335.367 2.036 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnnn2C)CC1 ZINC001160967488 1320336081 /nfs/dbraw/zinc/33/60/81/1320336081.db2.gz JDEWHIUXLGSMLL-CABCVRRESA-N 1 2 346.479 2.012 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnnn2C)CC1 ZINC001160967488 1320336084 /nfs/dbraw/zinc/33/60/84/1320336084.db2.gz JDEWHIUXLGSMLL-CABCVRRESA-N 1 2 346.479 2.012 20 30 EEEDLO Cc1ccnc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1C#N ZINC001163895412 1321241956 /nfs/dbraw/zinc/24/19/56/1321241956.db2.gz KSWMWBHDCVAQDG-UHFFFAOYSA-N 1 2 336.395 2.313 20 30 EEEDLO CN(C(=O)CN1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC001203764328 1321956448 /nfs/dbraw/zinc/95/64/48/1321956448.db2.gz MNNASAFEJSMJTE-UHFFFAOYSA-N 1 2 348.450 2.339 20 30 EEEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC001204053443 1322024609 /nfs/dbraw/zinc/02/46/09/1322024609.db2.gz LZYMQWOLULVDMZ-UHFFFAOYSA-N 1 2 341.411 2.410 20 30 EEEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC001204053443 1322024617 /nfs/dbraw/zinc/02/46/17/1322024617.db2.gz LZYMQWOLULVDMZ-UHFFFAOYSA-N 1 2 341.411 2.410 20 30 EEEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(O)c(OC)c1 ZINC001204116806 1322049130 /nfs/dbraw/zinc/04/91/30/1322049130.db2.gz SVWQKQISTQFZNB-INIZCTEOSA-N 1 2 343.427 2.436 20 30 EEEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(O)c(OC)c1 ZINC001204116806 1322049135 /nfs/dbraw/zinc/04/91/35/1322049135.db2.gz SVWQKQISTQFZNB-INIZCTEOSA-N 1 2 343.427 2.436 20 30 EEEDLO CC(C)(C)OC(=O)NCC[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC001204368336 1322131549 /nfs/dbraw/zinc/13/15/49/1322131549.db2.gz NXMJKOWRQVIWDB-UHFFFAOYSA-N 1 2 344.459 2.201 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1C ZINC001206662315 1323555406 /nfs/dbraw/zinc/55/54/06/1323555406.db2.gz GXTRBRUMAZHCMZ-JJRVBVJISA-N 1 2 338.411 2.438 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1C ZINC001206662315 1323555412 /nfs/dbraw/zinc/55/54/12/1323555412.db2.gz GXTRBRUMAZHCMZ-JJRVBVJISA-N 1 2 338.411 2.438 20 30 EEEDLO Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)c1 ZINC001206938481 1323722687 /nfs/dbraw/zinc/72/26/87/1323722687.db2.gz YKUQIGPYJMZKQY-SJLPKXTDSA-N 1 2 341.455 2.029 20 30 EEEDLO Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C2)c1 ZINC001206938481 1323722692 /nfs/dbraw/zinc/72/26/92/1323722692.db2.gz YKUQIGPYJMZKQY-SJLPKXTDSA-N 1 2 341.455 2.029 20 30 EEEDLO CCOC[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)Cc2c1cnn2CC ZINC001207104194 1323851157 /nfs/dbraw/zinc/85/11/57/1323851157.db2.gz NIJUQENAGNPVIC-OAHLLOKOSA-N 1 2 327.432 2.249 20 30 EEEDLO CCOC[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)Cc2c1cnn2CC ZINC001207104194 1323851161 /nfs/dbraw/zinc/85/11/61/1323851161.db2.gz NIJUQENAGNPVIC-OAHLLOKOSA-N 1 2 327.432 2.249 20 30 EEEDLO Cn1cc(CN2CCC23C[NH+](Cc2ccc4[nH]cnc4c2)C3)cc1C#N ZINC001279645363 1323968914 /nfs/dbraw/zinc/96/89/14/1323968914.db2.gz DFJSZINCGSCYPC-UHFFFAOYSA-N 1 2 346.438 2.233 20 30 EEEDLO Cn1cc(CN2CCC23C[NH+](Cc2ccc4nc[nH]c4c2)C3)cc1C#N ZINC001279645363 1323968920 /nfs/dbraw/zinc/96/89/20/1323968920.db2.gz DFJSZINCGSCYPC-UHFFFAOYSA-N 1 2 346.438 2.233 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2cccc(F)c2O)cc1C#N ZINC001276538113 1324003071 /nfs/dbraw/zinc/00/30/71/1324003071.db2.gz TTZGNUVRPIPWIQ-CALCHBBNSA-N 1 2 340.402 2.200 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2cccc(F)c2O)cc1C#N ZINC001276538113 1324003077 /nfs/dbraw/zinc/00/30/77/1324003077.db2.gz TTZGNUVRPIPWIQ-CALCHBBNSA-N 1 2 340.402 2.200 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2nc(C)c(C)o2)C[C@H]1C ZINC001208129489 1324328708 /nfs/dbraw/zinc/32/87/08/1324328708.db2.gz WOQHKRPNMTXXBH-NRXGSXMXSA-N 1 2 349.475 2.457 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2nc(C)c(C)o2)C[C@H]1C ZINC001208129489 1324328710 /nfs/dbraw/zinc/32/87/10/1324328710.db2.gz WOQHKRPNMTXXBH-NRXGSXMXSA-N 1 2 349.475 2.457 20 30 EEEDLO C=CC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(=O)OCC ZINC001320130127 1332833866 /nfs/dbraw/zinc/83/38/66/1332833866.db2.gz IIFMPWVPYQVXJY-MRXNPFEDSA-N 1 2 327.384 2.169 20 30 EEEDLO C=C[C@H](COC)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001320963222 1332988325 /nfs/dbraw/zinc/98/83/25/1332988325.db2.gz RURHDUWROQLXIM-OAHLLOKOSA-N 1 2 332.448 2.309 20 30 EEEDLO Cc1noc([C@H](C)[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)n1 ZINC001324883708 1333779914 /nfs/dbraw/zinc/77/99/14/1333779914.db2.gz FVRWXLGINGNUBF-LBPRGKRZSA-N 1 2 337.387 2.401 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)CC1CC1 ZINC001338842702 1336918262 /nfs/dbraw/zinc/91/82/62/1336918262.db2.gz YLHPYNPQKAQFTQ-HOTGVXAUSA-N 1 2 331.464 2.236 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)CC1CC1 ZINC001338842702 1336918263 /nfs/dbraw/zinc/91/82/63/1336918263.db2.gz YLHPYNPQKAQFTQ-HOTGVXAUSA-N 1 2 331.464 2.236 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@]2(CCOC2)C1 ZINC001339529860 1337022221 /nfs/dbraw/zinc/02/22/21/1337022221.db2.gz VBJNKTXCANWLBW-QAPCUYQASA-N 1 2 331.464 2.238 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@]2(CCOC2)C1 ZINC001339529860 1337022224 /nfs/dbraw/zinc/02/22/24/1337022224.db2.gz VBJNKTXCANWLBW-QAPCUYQASA-N 1 2 331.464 2.238 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(-c3nn[nH]n3)c(C)c2)n1 ZINC001602733031 1350578306 /nfs/dbraw/zinc/57/83/06/1350578306.db2.gz QHSSTEYSWQOOPG-UHFFFAOYSA-N 1 2 335.415 2.027 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(-c3nn[nH]n3)c(C)c2)n1 ZINC001602733031 1350578310 /nfs/dbraw/zinc/57/83/10/1350578310.db2.gz QHSSTEYSWQOOPG-UHFFFAOYSA-N 1 2 335.415 2.027 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2C#N)CCN1c1cc[nH+]cc1 ZINC001604800096 1351008881 /nfs/dbraw/zinc/00/88/81/1351008881.db2.gz RGLQXFYDXYAYNA-CQSZACIVSA-N 1 2 336.395 2.362 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)CCN1c1cc[nH+]cc1 ZINC001604800096 1351008883 /nfs/dbraw/zinc/00/88/83/1351008883.db2.gz RGLQXFYDXYAYNA-CQSZACIVSA-N 1 2 336.395 2.362 20 30 EEEDLO Cc1nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C)C#N)C3)c2c([nH+]1)CCCC2 ZINC001092966834 1368113731 /nfs/dbraw/zinc/11/37/31/1368113731.db2.gz IZNHIOLISACUSS-AADNMHCOSA-N 1 2 339.443 2.049 20 30 EEEDLO C=CCOCC(=O)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC001195314341 1368518470 /nfs/dbraw/zinc/51/84/70/1368518470.db2.gz LQOQDYBLSWHACJ-UHFFFAOYSA-N 1 2 346.858 2.428 20 30 EEEDLO C=CCOCC(=O)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC001195314341 1368518475 /nfs/dbraw/zinc/51/84/75/1368518475.db2.gz LQOQDYBLSWHACJ-UHFFFAOYSA-N 1 2 346.858 2.428 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001490454527 1369216051 /nfs/dbraw/zinc/21/60/51/1369216051.db2.gz INVQVEUFVJOOAI-CVEARBPZSA-N 1 2 337.508 2.332 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001490454527 1369216054 /nfs/dbraw/zinc/21/60/54/1369216054.db2.gz INVQVEUFVJOOAI-CVEARBPZSA-N 1 2 337.508 2.332 20 30 EEEDLO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(C[N@@H+]1CCC[C@H](CC#N)C1)C2=O ZINC000853524850 1369345814 /nfs/dbraw/zinc/34/58/14/1369345814.db2.gz QYDVGQFROVQQKR-RBSFLKMASA-N 1 2 332.448 2.316 20 30 EEEDLO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(C[N@H+]1CCC[C@H](CC#N)C1)C2=O ZINC000853524850 1369345819 /nfs/dbraw/zinc/34/58/19/1369345819.db2.gz QYDVGQFROVQQKR-RBSFLKMASA-N 1 2 332.448 2.316 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NC1(CC)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001069454700 1370128343 /nfs/dbraw/zinc/12/83/43/1370128343.db2.gz JTYYOFQJAZTLHZ-HOTGVXAUSA-N 1 2 346.475 2.229 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H](NC(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001071261237 1370450314 /nfs/dbraw/zinc/45/03/14/1370450314.db2.gz QJRYNFMNALNTGY-QGZVFWFLSA-N 1 2 344.459 2.127 20 30 EEEDLO C[C@H](CCCNc1nccnc1C#N)NC(=O)c1cccc2[nH+]ccn21 ZINC001115025943 1371489471 /nfs/dbraw/zinc/48/94/71/1371489471.db2.gz OYRWJKUADXOINC-CYBMUJFWSA-N 1 2 349.398 2.007 20 30 EEEDLO CC[N@H+](CC(=O)/C=C1\N(C)c2ccccc2C1(C)C)[C@H]1CCNC1=O ZINC000799353222 1371647730 /nfs/dbraw/zinc/64/77/30/1371647730.db2.gz FCVMFSYETVHRHC-KMTKGMGQSA-N 1 2 341.455 2.077 20 30 EEEDLO CC[N@@H+](CC(=O)/C=C1\N(C)c2ccccc2C1(C)C)[C@H]1CCNC1=O ZINC000799353222 1371647731 /nfs/dbraw/zinc/64/77/31/1371647731.db2.gz FCVMFSYETVHRHC-KMTKGMGQSA-N 1 2 341.455 2.077 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000836256446 1372703550 /nfs/dbraw/zinc/70/35/50/1372703550.db2.gz DSBRAULVEFLSEN-SJORKVTESA-N 1 2 326.400 2.405 20 30 EEEDLO N#Cc1cccc([C@H](O)C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC001363199644 1373491890 /nfs/dbraw/zinc/49/18/90/1373491890.db2.gz SZZOKZUINPAUMF-LEWJYISDSA-N 1 2 346.434 2.474 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1c(C)nn(CC)c1C ZINC001374552657 1376930934 /nfs/dbraw/zinc/93/09/34/1376930934.db2.gz TTYFGBQFOQEDSP-UHFFFAOYSA-N 1 2 326.872 2.205 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1c(C)nn(CC)c1C ZINC001374552657 1376930940 /nfs/dbraw/zinc/93/09/40/1376930940.db2.gz TTYFGBQFOQEDSP-UHFFFAOYSA-N 1 2 326.872 2.205 20 30 EEEDLO C=C(Cl)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)CC2CCCC2)n1 ZINC001375606579 1377884631 /nfs/dbraw/zinc/88/46/31/1377884631.db2.gz RCRAGAIDGZWDAO-UHFFFAOYSA-N 1 2 338.839 2.221 20 30 EEEDLO C[C@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC001379035899 1380410975 /nfs/dbraw/zinc/41/09/75/1380410975.db2.gz UJNIHHLQDXACEI-CQSZACIVSA-N 1 2 326.400 2.391 20 30 EEEDLO C[C@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC001379035899 1380410977 /nfs/dbraw/zinc/41/09/77/1380410977.db2.gz UJNIHHLQDXACEI-CQSZACIVSA-N 1 2 326.400 2.391 20 30 EEEDLO Cc1nc(C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)c(C)o1 ZINC001390833626 1388808808 /nfs/dbraw/zinc/80/88/08/1388808808.db2.gz AMOOJHICOCYFMK-UHFFFAOYSA-N 1 2 330.363 2.164 20 30 EEEDLO Cc1nc(C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)c(C)o1 ZINC001390833626 1388808813 /nfs/dbraw/zinc/80/88/13/1388808813.db2.gz AMOOJHICOCYFMK-UHFFFAOYSA-N 1 2 330.363 2.164 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)CC2CCCC2)C1 ZINC001391385668 1389334118 /nfs/dbraw/zinc/33/41/18/1389334118.db2.gz KSXLOLVRPUJMQC-OAHLLOKOSA-N 1 2 341.883 2.016 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)CC2CCCC2)C1 ZINC001391385668 1389334124 /nfs/dbraw/zinc/33/41/24/1389334124.db2.gz KSXLOLVRPUJMQC-OAHLLOKOSA-N 1 2 341.883 2.016 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)Cc2ccsc2)C1 ZINC001391468720 1389379706 /nfs/dbraw/zinc/37/97/06/1389379706.db2.gz YGMCUDRVQIAOCF-UHFFFAOYSA-N 1 2 325.437 2.410 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)C1(C)CCC1 ZINC001392859711 1390223327 /nfs/dbraw/zinc/22/33/27/1390223327.db2.gz NVPYQGIPXQWVKF-INIZCTEOSA-N 1 2 327.428 2.448 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)C1(C)CCC1 ZINC001392859711 1390223328 /nfs/dbraw/zinc/22/33/28/1390223328.db2.gz NVPYQGIPXQWVKF-INIZCTEOSA-N 1 2 327.428 2.448 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2cnc(C(C)C)s2)C1 ZINC001393291312 1390398501 /nfs/dbraw/zinc/39/85/01/1390398501.db2.gz JVMZRUSIKMHEKC-HNNXBMFYSA-N 1 2 343.880 2.186 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnc(C(C)C)s2)C1 ZINC001393291312 1390398503 /nfs/dbraw/zinc/39/85/03/1390398503.db2.gz JVMZRUSIKMHEKC-HNNXBMFYSA-N 1 2 343.880 2.186 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(COC)CCOCC2)[C@H]1C ZINC001394698074 1390740071 /nfs/dbraw/zinc/74/00/71/1390740071.db2.gz XEMNJSWMHMUREW-HUUCEWRRSA-N 1 2 344.883 2.151 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(COC)CCOCC2)[C@H]1C ZINC001394698074 1390740073 /nfs/dbraw/zinc/74/00/73/1390740073.db2.gz XEMNJSWMHMUREW-HUUCEWRRSA-N 1 2 344.883 2.151 20 30 EEEDLO C[C@@H](CNC(=O)C#CC(C)(C)C)[NH2+]Cc1nc(C2CCCC2)no1 ZINC001752868478 1406500211 /nfs/dbraw/zinc/50/02/11/1406500211.db2.gz BGLHVESBYWNSQI-ZDUSSCGKSA-N 1 2 332.448 2.371 20 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1407641321 /nfs/dbraw/zinc/64/13/21/1407641321.db2.gz CKUWGDUECWBSAR-SWLSCSKDSA-N 1 2 332.448 2.315 20 30 EEEDLO C#CCCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(CCCC)no2)[C@@H]1C ZINC001755654865 1407706986 /nfs/dbraw/zinc/70/69/86/1407706986.db2.gz UGZMIYVNBZKZJH-LSDHHAIUSA-N 1 2 332.448 2.295 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H](CCCC)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001756111717 1408145342 /nfs/dbraw/zinc/14/53/42/1408145342.db2.gz ALVOHFDMAXUBQR-KRWDZBQOSA-N 1 2 346.475 2.421 20 30 EEEDLO Cc1cc(C)c(C(=O)NCCC[C@H](C)NC(=O)C#CC2CC2)c(C)[nH+]1 ZINC001756303924 1408306317 /nfs/dbraw/zinc/30/63/17/1408306317.db2.gz RGJGFJXLCVXSJL-AWEZNQCLSA-N 1 2 341.455 2.435 20 30 EEEDLO C=CCCC(=O)N1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001756584212 1409104474 /nfs/dbraw/zinc/10/44/74/1409104474.db2.gz RDNCXVGXJHBFAS-ZIAGYGMSSA-N 1 2 326.400 2.020 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]1CN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001757293144 1409633504 /nfs/dbraw/zinc/63/35/04/1409633504.db2.gz BRVIMKILGJRITB-INIZCTEOSA-N 1 2 345.443 2.048 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001757319533 1409664458 /nfs/dbraw/zinc/66/44/58/1409664458.db2.gz MQSLNNRONBVXNO-OAGGEKHMSA-N 1 2 346.475 2.448 20 30 EEEDLO C#CCC1(C(=O)NCC2CC([NH2+][C@@H](C)c3noc(C)n3)C2)CCC1 ZINC001100396713 1410647731 /nfs/dbraw/zinc/64/77/31/1410647731.db2.gz OZFVGLUDESZURJ-GRTSSRMGSA-N 1 2 330.432 2.117 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@H](Nc2ncnc3c2C[N@H+](C)CC3)CC1 ZINC001103638094 1410739524 /nfs/dbraw/zinc/73/95/24/1410739524.db2.gz PODNWDFPYAWLJD-SHTZXODSSA-N 1 2 343.475 2.270 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC001103638094 1410739529 /nfs/dbraw/zinc/73/95/29/1410739529.db2.gz PODNWDFPYAWLJD-SHTZXODSSA-N 1 2 343.475 2.270 20 30 EEEDLO Cc1nc(C)c(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)nc1C ZINC001031832530 1410815040 /nfs/dbraw/zinc/81/50/40/1410815040.db2.gz OTQYBNGHWJFIPL-UHFFFAOYSA-N 1 2 348.450 2.115 20 30 EEEDLO N#Cc1cccnc1N[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001091287565 790271767 /nfs/dbraw/zinc/27/17/67/790271767.db2.gz RQQLUQLGSHDODW-HZPDHXFCSA-N 1 2 338.415 2.079 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)o3)[C@@H]2CC)nc1 ZINC001087800156 782272167 /nfs/dbraw/zinc/27/21/67/782272167.db2.gz GDNCZASCCNGUQM-DOTOQJQBSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)o3)[C@@H]2CC)nc1 ZINC001087800156 782272177 /nfs/dbraw/zinc/27/21/77/782272177.db2.gz GDNCZASCCNGUQM-DOTOQJQBSA-N 1 2 338.411 2.142 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(c3ccccc3)C2)C1 ZINC001014889347 790294262 /nfs/dbraw/zinc/29/42/62/790294262.db2.gz BUBNCXUSTWMFBI-HOTGVXAUSA-N 1 2 333.863 2.456 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCN(c3ccccc3)C2)C1 ZINC001014889347 790294266 /nfs/dbraw/zinc/29/42/66/790294266.db2.gz BUBNCXUSTWMFBI-HOTGVXAUSA-N 1 2 333.863 2.456 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)CNc1ncc(C#N)cc1Cl ZINC001104645071 764620940 /nfs/dbraw/zinc/62/09/40/764620940.db2.gz XCSCMDFGQBPRRR-SNVBAGLBSA-N 1 2 346.822 2.140 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N(C)[C@H](C)CNc3ccc(C#N)cn3)ccn12 ZINC001104687342 764742228 /nfs/dbraw/zinc/74/22/28/764742228.db2.gz JYARTTSGGYNQGJ-CYBMUJFWSA-N 1 2 348.410 2.482 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnns3)C[C@@H]2C)cc1 ZINC000942552725 782703856 /nfs/dbraw/zinc/70/38/56/782703856.db2.gz IHZBNNRRHIWBEY-SUMWQHHRSA-N 1 2 340.452 2.160 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnns3)C[C@@H]2C)cc1 ZINC000942552725 782703862 /nfs/dbraw/zinc/70/38/62/782703862.db2.gz IHZBNNRRHIWBEY-SUMWQHHRSA-N 1 2 340.452 2.160 20 30 EEEDLO CN(CCCN(C)c1cccc(F)c1C#N)C(=O)CCc1[nH]cc[nH+]1 ZINC001112077556 768984304 /nfs/dbraw/zinc/98/43/04/768984304.db2.gz YKYCDYSJXOOVGE-UHFFFAOYSA-N 1 2 343.406 2.338 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncccn3)C[C@H]2C)cc1 ZINC000942553540 782717592 /nfs/dbraw/zinc/71/75/92/782717592.db2.gz QUJDXVBNLPQZPS-CRAIPNDOSA-N 1 2 334.423 2.098 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ncccn3)C[C@H]2C)cc1 ZINC000942553540 782717597 /nfs/dbraw/zinc/71/75/97/782717597.db2.gz QUJDXVBNLPQZPS-CRAIPNDOSA-N 1 2 334.423 2.098 20 30 EEEDLO CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)Nc1cccc(F)c1C#N ZINC001105196357 769318277 /nfs/dbraw/zinc/31/82/77/769318277.db2.gz IBKPSWCTGVNMOF-MRXNPFEDSA-N 1 2 329.379 2.147 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(C)(F)F)cc3)[C@H]2C1 ZINC001083299750 769445867 /nfs/dbraw/zinc/44/58/67/769445867.db2.gz KRUJUKQWVPDSFY-DLBZAZTESA-N 1 2 348.393 2.347 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(C)(F)F)cc3)[C@H]2C1 ZINC001083299750 769445872 /nfs/dbraw/zinc/44/58/72/769445872.db2.gz KRUJUKQWVPDSFY-DLBZAZTESA-N 1 2 348.393 2.347 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H](Nc1nc(N(C)C)nc(C)[nH+]1)C(C)C ZINC001105258316 769491261 /nfs/dbraw/zinc/49/12/61/769491261.db2.gz HHHKMVVRODJTHT-GJZGRUSLSA-N 1 2 348.495 2.401 20 30 EEEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2occc2C)C1 ZINC001031549391 769541129 /nfs/dbraw/zinc/54/11/29/769541129.db2.gz MEQFSUJSYWNIAQ-UHFFFAOYSA-N 1 2 339.395 2.330 20 30 EEEDLO CC(C)[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)Nc1ccc(C#N)cn1 ZINC001105288674 769591930 /nfs/dbraw/zinc/59/19/30/769591930.db2.gz PKQOKTQSBNGMEO-HOCLYGCPSA-N 1 2 340.431 2.354 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H](C)C[C@@H](C)Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001089473176 769617969 /nfs/dbraw/zinc/61/79/69/769617969.db2.gz GENMPQVYBJOFKT-QWHCGFSZSA-N 1 2 346.479 2.298 20 30 EEEDLO Cc1cncc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001031594205 769960309 /nfs/dbraw/zinc/96/03/09/769960309.db2.gz WIGITUAAXGJNIN-UHFFFAOYSA-N 1 2 337.398 2.242 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)c1 ZINC001031600177 770053087 /nfs/dbraw/zinc/05/30/87/770053087.db2.gz GLQDDUHYAIKIPY-VQFNDLOPSA-N 1 2 327.403 2.291 20 30 EEEDLO Cc1cccnc1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031606542 770164658 /nfs/dbraw/zinc/16/46/58/770164658.db2.gz MSMIBTNVEFYBMI-UHFFFAOYSA-N 1 2 326.425 2.185 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212245988 770463750 /nfs/dbraw/zinc/46/37/50/770463750.db2.gz IVTLTKUMKWLMDP-IAGOWNOFSA-N 1 2 332.831 2.069 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212245988 770463752 /nfs/dbraw/zinc/46/37/52/770463752.db2.gz IVTLTKUMKWLMDP-IAGOWNOFSA-N 1 2 332.831 2.069 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)cs1 ZINC001027813793 770489659 /nfs/dbraw/zinc/48/96/59/770489659.db2.gz BJLBFEJBJOZBGT-AWEZNQCLSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)cs1 ZINC001027813793 770489664 /nfs/dbraw/zinc/48/96/64/770489664.db2.gz BJLBFEJBJOZBGT-AWEZNQCLSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1cnccc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031652826 770646571 /nfs/dbraw/zinc/64/65/71/770646571.db2.gz SKVHWHQVJHDLGM-UHFFFAOYSA-N 1 2 338.386 2.263 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4nc(C)no4)CC[C@@H]3C2)CC1 ZINC001088090792 782893303 /nfs/dbraw/zinc/89/33/03/782893303.db2.gz GQAIVHYJIDHYAA-SJORKVTESA-N 1 2 344.459 2.405 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(C)no4)CC[C@@H]3C2)CC1 ZINC001088090792 782893311 /nfs/dbraw/zinc/89/33/11/782893311.db2.gz GQAIVHYJIDHYAA-SJORKVTESA-N 1 2 344.459 2.405 20 30 EEEDLO COc1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)on1 ZINC001027836947 773303504 /nfs/dbraw/zinc/30/35/04/773303504.db2.gz YWEMHUDCDLCPJY-LLVKDONJSA-N 1 2 346.412 2.011 20 30 EEEDLO COc1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)on1 ZINC001027836947 773303511 /nfs/dbraw/zinc/30/35/11/773303511.db2.gz YWEMHUDCDLCPJY-LLVKDONJSA-N 1 2 346.412 2.011 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001060750415 773568015 /nfs/dbraw/zinc/56/80/15/773568015.db2.gz ZFOFSOBHGKOHPS-WKILWMFISA-N 1 2 346.475 2.490 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001060750415 773568022 /nfs/dbraw/zinc/56/80/22/773568022.db2.gz ZFOFSOBHGKOHPS-WKILWMFISA-N 1 2 346.475 2.490 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060756565 774398371 /nfs/dbraw/zinc/39/83/71/774398371.db2.gz VIEDUAJAAAXGSL-WKILWMFISA-N 1 2 346.475 2.277 20 30 EEEDLO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1scnc1COC ZINC001089707689 774586084 /nfs/dbraw/zinc/58/60/84/774586084.db2.gz QGCNUNFZGNOMSU-ZDUSSCGKSA-N 1 2 335.473 2.143 20 30 EEEDLO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1scnc1COC ZINC001089707689 774586088 /nfs/dbraw/zinc/58/60/88/774586088.db2.gz QGCNUNFZGNOMSU-ZDUSSCGKSA-N 1 2 335.473 2.143 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3cscn3)[C@H](C)C2)c1 ZINC000947711199 774616424 /nfs/dbraw/zinc/61/64/24/774616424.db2.gz SYTXTQVSVYOLMW-CZUORRHYSA-N 1 2 340.452 2.302 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3cscn3)[C@H](C)C2)c1 ZINC000947711199 774616428 /nfs/dbraw/zinc/61/64/28/774616428.db2.gz SYTXTQVSVYOLMW-CZUORRHYSA-N 1 2 340.452 2.302 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)nc1C(F)F ZINC001027938068 774683106 /nfs/dbraw/zinc/68/31/06/774683106.db2.gz RWQNLSNAXCLNGI-SNVBAGLBSA-N 1 2 332.782 2.304 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C)nc1C(F)F ZINC001027938068 774683109 /nfs/dbraw/zinc/68/31/09/774683109.db2.gz RWQNLSNAXCLNGI-SNVBAGLBSA-N 1 2 332.782 2.304 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)c3cccnc3)CC2)ccc1F ZINC000980627453 775010556 /nfs/dbraw/zinc/01/05/56/775010556.db2.gz FMNITBFJHGGUQU-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)c3cccnc3)CC2)ccc1F ZINC000980627453 775010563 /nfs/dbraw/zinc/01/05/63/775010563.db2.gz FMNITBFJHGGUQU-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C[C@H]1C ZINC000939463976 776586295 /nfs/dbraw/zinc/58/62/95/776586295.db2.gz MBKSYHMAMAXVKU-IAQYHMDHSA-N 1 2 345.834 2.274 20 30 EEEDLO C=C(Cl)CN1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000981210858 776825844 /nfs/dbraw/zinc/82/58/44/776825844.db2.gz WWMBCLAXOOLCPQ-UHFFFAOYSA-N 1 2 336.867 2.049 20 30 EEEDLO C[C@H]1C[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)CO1 ZINC000981487484 777503297 /nfs/dbraw/zinc/50/32/97/777503297.db2.gz RLWKWQCGJDIOJR-KBPBESRZSA-N 1 2 333.457 2.079 20 30 EEEDLO C[C@H]1C[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)CO1 ZINC000981487484 777503306 /nfs/dbraw/zinc/50/33/06/777503306.db2.gz RLWKWQCGJDIOJR-KBPBESRZSA-N 1 2 333.457 2.079 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091397927 790550227 /nfs/dbraw/zinc/55/02/27/790550227.db2.gz ZNIXLSXGPGRSOL-QWQRMKEZSA-N 1 2 346.479 2.155 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]2C)C1 ZINC000939996363 777806397 /nfs/dbraw/zinc/80/63/97/777806397.db2.gz QYUGSYNZAQQCMZ-OWCLPIDISA-N 1 2 344.459 2.154 20 30 EEEDLO C[C@H]1CO[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000981643823 777902106 /nfs/dbraw/zinc/90/21/06/777902106.db2.gz BETJUQHFCDBLPB-KDOFPFPSSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@H]1CO[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000981643823 777902116 /nfs/dbraw/zinc/90/21/16/777902116.db2.gz BETJUQHFCDBLPB-KDOFPFPSSA-N 1 2 345.418 2.157 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)OC)C2)C1 ZINC000981658256 777924904 /nfs/dbraw/zinc/92/49/04/777924904.db2.gz GANBEHKGSLGXLT-CYBMUJFWSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)OC)C2)C1 ZINC000981658256 777924911 /nfs/dbraw/zinc/92/49/11/777924911.db2.gz GANBEHKGSLGXLT-CYBMUJFWSA-N 1 2 345.281 2.244 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC000981672213 777953612 /nfs/dbraw/zinc/95/36/12/777953612.db2.gz PMYJNLVKVKXAED-AWEZNQCLSA-N 1 2 340.402 2.281 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC000981672213 777953623 /nfs/dbraw/zinc/95/36/23/777953623.db2.gz PMYJNLVKVKXAED-AWEZNQCLSA-N 1 2 340.402 2.281 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1)C1CCC1 ZINC000981701457 778040070 /nfs/dbraw/zinc/04/00/70/778040070.db2.gz KVCDMCJRIDHFRC-HXUWFJFHSA-N 1 2 340.467 2.388 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1)C1CCC1 ZINC000981701457 778040082 /nfs/dbraw/zinc/04/00/82/778040082.db2.gz KVCDMCJRIDHFRC-HXUWFJFHSA-N 1 2 340.467 2.388 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(C)c1C ZINC001028124218 778219254 /nfs/dbraw/zinc/21/92/54/778219254.db2.gz OYXFDONRXKXHGC-CYBMUJFWSA-N 1 2 340.265 2.436 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(C)c1C ZINC001028124218 778219258 /nfs/dbraw/zinc/21/92/58/778219258.db2.gz OYXFDONRXKXHGC-CYBMUJFWSA-N 1 2 340.265 2.436 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC001028146410 778436281 /nfs/dbraw/zinc/43/62/81/778436281.db2.gz FQFPPTNKXGCKRN-ZACQAIPSSA-N 1 2 345.443 2.224 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1coc(C2CC2)n1 ZINC001028146410 778436287 /nfs/dbraw/zinc/43/62/87/778436287.db2.gz FQFPPTNKXGCKRN-ZACQAIPSSA-N 1 2 345.443 2.224 20 30 EEEDLO C#CC[N@H+]1CCCC2(CN(C(=O)c3cc(-c4ccccc4)[nH]n3)C2)C1 ZINC000981878543 778466975 /nfs/dbraw/zinc/46/69/75/778466975.db2.gz RRJFTJLVHWQLBU-UHFFFAOYSA-N 1 2 334.423 2.248 20 30 EEEDLO C#CC[N@@H+]1CCCC2(CN(C(=O)c3cc(-c4ccccc4)[nH]n3)C2)C1 ZINC000981878543 778466980 /nfs/dbraw/zinc/46/69/80/778466980.db2.gz RRJFTJLVHWQLBU-UHFFFAOYSA-N 1 2 334.423 2.248 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCC[N@H+](Cc1nonc1C)C2 ZINC000981928024 778567134 /nfs/dbraw/zinc/56/71/34/778567134.db2.gz ZICIPWCTGXYBKT-UHFFFAOYSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCC[N@@H+](Cc1nonc1C)C2 ZINC000981928024 778567137 /nfs/dbraw/zinc/56/71/37/778567137.db2.gz ZICIPWCTGXYBKT-UHFFFAOYSA-N 1 2 332.448 2.405 20 30 EEEDLO CC[C@@H](OC)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001075606150 778699130 /nfs/dbraw/zinc/69/91/30/778699130.db2.gz GQCRPLPJEJTHKJ-BMGDILEWSA-N 1 2 345.418 2.155 20 30 EEEDLO CC[C@@H](OC)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001075606150 778699135 /nfs/dbraw/zinc/69/91/35/778699135.db2.gz GQCRPLPJEJTHKJ-BMGDILEWSA-N 1 2 345.418 2.155 20 30 EEEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)cc1 ZINC001031892853 778775783 /nfs/dbraw/zinc/77/57/83/778775783.db2.gz VSZZIUFOWHZZPK-UHFFFAOYSA-N 1 2 335.432 2.463 20 30 EEEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc(-c2ccc(CC)cc2)no1 ZINC001126344127 779792594 /nfs/dbraw/zinc/79/25/94/779792594.db2.gz OAMLQCMFSNSXDG-UHFFFAOYSA-N 1 2 340.427 2.308 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H](F)C3)C2)cc1F ZINC001031929992 780018012 /nfs/dbraw/zinc/01/80/12/780018012.db2.gz QGQCHFDPEKYUSU-ZBFHGGJFSA-N 1 2 333.382 2.384 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H](F)C3)C2)c(F)c1 ZINC001031930085 780021644 /nfs/dbraw/zinc/02/16/44/780021644.db2.gz SFWJFMIEWLUGQV-ZBFHGGJFSA-N 1 2 333.382 2.384 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)CC(C)(C)C)C2)nn1 ZINC001105375469 781050571 /nfs/dbraw/zinc/05/05/71/781050571.db2.gz DWTUQTPTMUGIBN-UHFFFAOYSA-N 1 2 345.491 2.237 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3(F)F)[C@@H]2C1 ZINC001075768144 781388959 /nfs/dbraw/zinc/38/89/59/781388959.db2.gz BTNMUODOQZACSF-VBNZEHGJSA-N 1 2 349.356 2.385 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3(F)F)[C@@H]2C1 ZINC001075768144 781388970 /nfs/dbraw/zinc/38/89/70/781388970.db2.gz BTNMUODOQZACSF-VBNZEHGJSA-N 1 2 349.356 2.385 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C(C)C)n(C)n3)[C@@H]2C1 ZINC001075783928 781537410 /nfs/dbraw/zinc/53/74/10/781537410.db2.gz VYCTVKISIJTCBR-XJKSGUPXSA-N 1 2 336.867 2.442 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C(C)C)n(C)n3)[C@@H]2C1 ZINC001075783928 781537416 /nfs/dbraw/zinc/53/74/16/781537416.db2.gz VYCTVKISIJTCBR-XJKSGUPXSA-N 1 2 336.867 2.442 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)c2ccon2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087512206 781619431 /nfs/dbraw/zinc/61/94/31/781619431.db2.gz FYQWJFMNOYWGCU-DOTOQJQBSA-N 1 2 342.374 2.468 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)c2ccon2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087512206 781619438 /nfs/dbraw/zinc/61/94/38/781619438.db2.gz FYQWJFMNOYWGCU-DOTOQJQBSA-N 1 2 342.374 2.468 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC001131894688 783420934 /nfs/dbraw/zinc/42/09/34/783420934.db2.gz BHZCPRRRFLYTEC-GOEBONIOSA-N 1 2 345.443 2.266 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC001131894688 783420938 /nfs/dbraw/zinc/42/09/38/783420938.db2.gz BHZCPRRRFLYTEC-GOEBONIOSA-N 1 2 345.443 2.266 20 30 EEEDLO Cc1nc([C@H](C)[NH2+][C@@H]2CCCCCN(C(=O)C#CC3CC3)C2)no1 ZINC001088310816 783464208 /nfs/dbraw/zinc/46/42/08/783464208.db2.gz FOWNJYIEYTVGCV-XJKSGUPXSA-N 1 2 330.432 2.213 20 30 EEEDLO CN(C(=O)c1cnco1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033310248 783499123 /nfs/dbraw/zinc/49/91/23/783499123.db2.gz UMPRNFRRUUTEEF-AWEZNQCLSA-N 1 2 328.347 2.032 20 30 EEEDLO CN(C(=O)c1cnco1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033310248 783499127 /nfs/dbraw/zinc/49/91/27/783499127.db2.gz UMPRNFRRUUTEEF-AWEZNQCLSA-N 1 2 328.347 2.032 20 30 EEEDLO C#CCOCCC(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091481513 790965417 /nfs/dbraw/zinc/96/54/17/790965417.db2.gz PZLIIARZGTYYPS-KOMQPUFPSA-N 1 2 342.443 2.009 20 30 EEEDLO C[C@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)c1[nH]ncc1F ZINC001135408195 783721190 /nfs/dbraw/zinc/72/11/90/783721190.db2.gz UCKNZSMEBFBGDH-UONOGXRCSA-N 1 2 328.391 2.087 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091500489 790990162 /nfs/dbraw/zinc/99/01/62/790990162.db2.gz XPKGVPMNOMXLGQ-KKUMJFAQSA-N 1 2 346.479 2.155 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C(F)F)ccc2F)C1 ZINC001035367258 784381016 /nfs/dbraw/zinc/38/10/16/784381016.db2.gz FFNRUCVTTHIJOZ-GFCCVEGCSA-N 1 2 328.334 2.380 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C(F)F)ccc2F)C1 ZINC001035367258 784381020 /nfs/dbraw/zinc/38/10/20/784381020.db2.gz FFNRUCVTTHIJOZ-GFCCVEGCSA-N 1 2 328.334 2.380 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C(CC)CC)no2)C1 ZINC001035537488 784641104 /nfs/dbraw/zinc/64/11/04/784641104.db2.gz RDOYSUOTGDCZQR-HNNXBMFYSA-N 1 2 333.432 2.032 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C(CC)CC)no2)C1 ZINC001035537488 784641110 /nfs/dbraw/zinc/64/11/10/784641110.db2.gz RDOYSUOTGDCZQR-HNNXBMFYSA-N 1 2 333.432 2.032 20 30 EEEDLO Nc1ccc2c(c1)C(=[NH+]NC(=S)NC[C@H]1CCCO1)CCCC2 ZINC000817324072 784686847 /nfs/dbraw/zinc/68/68/47/784686847.db2.gz PLGGHTQKVIRFBE-CQSZACIVSA-N 1 2 332.473 2.342 20 30 EEEDLO CC(=NOCc1cccc(C[NH+]2CCOCC2)c1)c1cnn(C)c1 ZINC000817376388 784724358 /nfs/dbraw/zinc/72/43/58/784724358.db2.gz FYIGNDCSBWAPQA-UHFFFAOYSA-N 1 2 328.416 2.193 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC2(C[NH+](Cc3ccncc3Cl)C2)CC1 ZINC001035674347 784917168 /nfs/dbraw/zinc/91/71/68/784917168.db2.gz UTOJUOYOQVZADP-ZDUSSCGKSA-N 1 2 332.835 2.319 20 30 EEEDLO Cc1nc(C[NH+]2CC3(C2)CCN(C(=O)C#CC2CC2)CC3)oc1C ZINC001035701945 784981244 /nfs/dbraw/zinc/98/12/44/784981244.db2.gz GGIGNLHDSPFEPX-UHFFFAOYSA-N 1 2 327.428 2.129 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]1OC)CC2 ZINC001035737649 785047834 /nfs/dbraw/zinc/04/78/34/785047834.db2.gz LFKDQISPMHXSGZ-GJZGRUSLSA-N 1 2 326.868 2.478 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@]1(C)CCO[C@@H]1C)CC2 ZINC001035760328 785073244 /nfs/dbraw/zinc/07/32/44/785073244.db2.gz NSXCXBXUKJHBOF-ZBFHGGJFSA-N 1 2 326.868 2.478 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1coc(COC)n1)CC2 ZINC001035826304 785189937 /nfs/dbraw/zinc/18/99/37/785189937.db2.gz ABNGVGXUAATZMS-UHFFFAOYSA-N 1 2 339.823 2.112 20 30 EEEDLO C=C[C@@H]1C[C@]1(Nc1c[nH+]c(N2CCOCC2)cc1C)C(=O)OCC ZINC001170915343 785321897 /nfs/dbraw/zinc/32/18/97/785321897.db2.gz CFHUPJPMKJGPSQ-RDTXWAMCSA-N 1 2 331.416 2.146 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@H]([NH2+]Cc2nnc(C)o2)C(C)(C)C1 ZINC000995921689 785821013 /nfs/dbraw/zinc/82/10/13/785821013.db2.gz XOVPEQLBBGEABC-HNNXBMFYSA-N 1 2 343.431 2.006 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(OC)cc2F)C1 ZINC001015929697 785847706 /nfs/dbraw/zinc/84/77/06/785847706.db2.gz ALXZZIQECLYDOA-CYBMUJFWSA-N 1 2 326.799 2.320 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(OC)cc2F)C1 ZINC001015929697 785847707 /nfs/dbraw/zinc/84/77/07/785847707.db2.gz ALXZZIQECLYDOA-CYBMUJFWSA-N 1 2 326.799 2.320 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NCc1cn(C2C[NH+](CC=C(C)C)C2)nn1 ZINC001107197112 786355733 /nfs/dbraw/zinc/35/57/33/786355733.db2.gz BJRRCMIETUWPLR-CABCVRRESA-N 1 2 331.464 2.175 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCc1cn(C2C[NH+](CC=C(C)C)C2)nn1 ZINC001107198529 786363181 /nfs/dbraw/zinc/36/31/81/786363181.db2.gz JWZBEXWQYIMDGT-OAHLLOKOSA-N 1 2 331.464 2.320 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCc1cn(C2C[NH+](CC=C(C)C)C2)nn1 ZINC001107208123 786403174 /nfs/dbraw/zinc/40/31/74/786403174.db2.gz QTBHTGPEYRDTGF-GOSISDBHSA-N 1 2 331.464 2.320 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)cs3)C[C@@H]2O)CC1 ZINC001090544587 786829546 /nfs/dbraw/zinc/82/95/46/786829546.db2.gz CKFQAOFMHFVOEI-HOTGVXAUSA-N 1 2 349.500 2.249 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)cs3)C[C@@H]2O)CC1 ZINC001090544587 786829559 /nfs/dbraw/zinc/82/95/59/786829559.db2.gz CKFQAOFMHFVOEI-HOTGVXAUSA-N 1 2 349.500 2.249 20 30 EEEDLO C=CCC(CC=C)C(=O)NC/C=C/CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001107352037 786958029 /nfs/dbraw/zinc/95/80/29/786958029.db2.gz CXFRVPVAFXKTFD-CMDGGOBGSA-N 1 2 344.463 2.099 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC/C=C\CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001107345866 786975214 /nfs/dbraw/zinc/97/52/14/786975214.db2.gz JLZKERXSRQLRPV-LZNQSLFOSA-N 1 2 330.432 2.031 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NC/C=C\CNc3ncccc3C#N)ccn12 ZINC001107361061 786992106 /nfs/dbraw/zinc/99/21/06/786992106.db2.gz ANCFEIITKUDHOT-IHWYPQMZSA-N 1 2 346.394 2.308 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)[C@@H](O)C1 ZINC001090575290 787028409 /nfs/dbraw/zinc/02/84/09/787028409.db2.gz DSZQBVUZFGBSJW-OLZOCXBDSA-N 1 2 348.752 2.021 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)[C@@H](O)C1 ZINC001090575290 787028417 /nfs/dbraw/zinc/02/84/17/787028417.db2.gz DSZQBVUZFGBSJW-OLZOCXBDSA-N 1 2 348.752 2.021 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC/C=C/CNc1[nH+]cnc2c1cnn2C ZINC001107463463 787314640 /nfs/dbraw/zinc/31/46/40/787314640.db2.gz JUSGLNJDQVVNIE-VOTSOKGWSA-N 1 2 328.420 2.050 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC/C=C/CNc1[nH+]cnc2c1cnn2C ZINC001107464768 787317210 /nfs/dbraw/zinc/31/72/10/787317210.db2.gz XNHGDFCQOQWBOP-YBJDMEARSA-N 1 2 328.420 2.050 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2csc(C(C)C)n2)[C@H](O)C1 ZINC001090651741 787586570 /nfs/dbraw/zinc/58/65/70/787586570.db2.gz RKPZUZZQLKRSDX-WCQYABFASA-N 1 2 343.880 2.184 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2csc(C(C)C)n2)[C@H](O)C1 ZINC001090651741 787586577 /nfs/dbraw/zinc/58/65/77/787586577.db2.gz RKPZUZZQLKRSDX-WCQYABFASA-N 1 2 343.880 2.184 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCC ZINC001109633221 805802724 /nfs/dbraw/zinc/80/27/24/805802724.db2.gz SWLAEIBSOZYMQO-NCOADZHNSA-N 1 2 335.492 2.227 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCC ZINC001109633221 805802732 /nfs/dbraw/zinc/80/27/32/805802732.db2.gz SWLAEIBSOZYMQO-NCOADZHNSA-N 1 2 335.492 2.227 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3ccncc32)[C@H](O)C1 ZINC001090692868 787796727 /nfs/dbraw/zinc/79/67/27/787796727.db2.gz OVLOOJJFHPOKNH-IAGOWNOFSA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc3ccncc32)[C@H](O)C1 ZINC001090692868 787796735 /nfs/dbraw/zinc/79/67/35/787796735.db2.gz OVLOOJJFHPOKNH-IAGOWNOFSA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3cnccc3c2)[C@@H](O)C1 ZINC001090710340 787882382 /nfs/dbraw/zinc/88/23/82/787882382.db2.gz TZQYQGOICKMRDG-SJORKVTESA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3cnccc3c2)[C@@H](O)C1 ZINC001090710340 787882392 /nfs/dbraw/zinc/88/23/92/787882392.db2.gz TZQYQGOICKMRDG-SJORKVTESA-N 1 2 345.830 2.152 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001062332638 787909357 /nfs/dbraw/zinc/90/93/57/787909357.db2.gz OLFHWSDYOKUQFZ-NVXWUHKLSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001062332638 787909363 /nfs/dbraw/zinc/90/93/63/787909363.db2.gz OLFHWSDYOKUQFZ-NVXWUHKLSA-N 1 2 346.475 2.442 20 30 EEEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824058927 788029483 /nfs/dbraw/zinc/02/94/83/788029483.db2.gz JPMNCGOOBDMZNI-HNNXBMFYSA-N 1 2 326.404 2.180 20 30 EEEDLO CC(C)(C#N)CC[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824058927 788029491 /nfs/dbraw/zinc/02/94/91/788029491.db2.gz JPMNCGOOBDMZNI-HNNXBMFYSA-N 1 2 326.404 2.180 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(c3ccccc3)CC2)[C@H](O)C1 ZINC001090780604 788234111 /nfs/dbraw/zinc/23/41/11/788234111.db2.gz MFXMYMWDOPAPRP-HZPDHXFCSA-N 1 2 334.847 2.022 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(c3ccccc3)CC2)[C@H](O)C1 ZINC001090780604 788234117 /nfs/dbraw/zinc/23/41/17/788234117.db2.gz MFXMYMWDOPAPRP-HZPDHXFCSA-N 1 2 334.847 2.022 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H](C)CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001077678172 788248668 /nfs/dbraw/zinc/24/86/68/788248668.db2.gz BMLKEQHQDSPXIN-ZDUSSCGKSA-N 1 2 332.448 2.018 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)c(C)s2)[C@@H](O)C1 ZINC001090795394 788305600 /nfs/dbraw/zinc/30/56/00/788305600.db2.gz WIIGKHJTWCFQLX-STQMWFEESA-N 1 2 328.865 2.282 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(C)s2)[C@@H](O)C1 ZINC001090795394 788305606 /nfs/dbraw/zinc/30/56/06/788305606.db2.gz WIIGKHJTWCFQLX-STQMWFEESA-N 1 2 328.865 2.282 20 30 EEEDLO C=C1CCC(C(=O)NCC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001060232969 788344354 /nfs/dbraw/zinc/34/43/54/788344354.db2.gz KVBHBHDPPHRJEY-HNNXBMFYSA-N 1 2 344.459 2.053 20 30 EEEDLO Cc1ccc(F)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(C#N)c2)c1 ZINC001032364603 788385733 /nfs/dbraw/zinc/38/57/33/788385733.db2.gz MCJJAIDNRFNMMT-IRXDYDNUSA-N 1 2 338.386 2.433 20 30 EEEDLO Cc1ccc(F)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(C#N)c2)c1 ZINC001032364603 788385740 /nfs/dbraw/zinc/38/57/40/788385740.db2.gz MCJJAIDNRFNMMT-IRXDYDNUSA-N 1 2 338.386 2.433 20 30 EEEDLO COCCc1noc(C[N@H+](C)CCCOc2ccc(C#N)cc2)n1 ZINC000151062322 788576314 /nfs/dbraw/zinc/57/63/14/788576314.db2.gz LLXILPDYBCDNRH-UHFFFAOYSA-N 1 2 330.388 2.031 20 30 EEEDLO COCCc1noc(C[N@@H+](C)CCCOc2ccc(C#N)cc2)n1 ZINC000151062322 788576320 /nfs/dbraw/zinc/57/63/20/788576320.db2.gz LLXILPDYBCDNRH-UHFFFAOYSA-N 1 2 330.388 2.031 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001143643704 788707520 /nfs/dbraw/zinc/70/75/20/788707520.db2.gz JOXPVLPWGCEZDS-AWEZNQCLSA-N 1 2 328.334 2.069 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C3(COCC)CC3)CC2)C1 ZINC001105713956 789146287 /nfs/dbraw/zinc/14/62/87/789146287.db2.gz DFLUEWGWGMWMAW-UHFFFAOYSA-N 1 2 336.476 2.071 20 30 EEEDLO CCOC[C@@H]1C[N@H+](Cc2cncc(C#N)c2)Cc2nn(CC)cc21 ZINC001144074746 789210294 /nfs/dbraw/zinc/21/02/94/789210294.db2.gz CKXRLUHVCJEEHN-INIZCTEOSA-N 1 2 325.416 2.306 20 30 EEEDLO CCOC[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)Cc2nn(CC)cc21 ZINC001144074746 789210300 /nfs/dbraw/zinc/21/03/00/789210300.db2.gz CKXRLUHVCJEEHN-INIZCTEOSA-N 1 2 325.416 2.306 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091024732 789471928 /nfs/dbraw/zinc/47/19/28/789471928.db2.gz YSHCFXFQTHKVIP-TZMCWYRMSA-N 1 2 342.447 2.224 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnn(CC(C)C)c2CC)C1 ZINC001107941413 789584437 /nfs/dbraw/zinc/58/44/37/789584437.db2.gz FIUQGVLQWREKMZ-LJQANCHMSA-N 1 2 348.491 2.108 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnn(CC(C)C)c2CC)C1 ZINC001107941413 789584444 /nfs/dbraw/zinc/58/44/44/789584444.db2.gz FIUQGVLQWREKMZ-LJQANCHMSA-N 1 2 348.491 2.108 20 30 EEEDLO C=CCCC(=O)N1C[C@H](CNc2cc[nH+]c(C)n2)C2(C1)CCOCC2 ZINC001090283494 789649416 /nfs/dbraw/zinc/64/94/16/789649416.db2.gz CYKKKQGKRDFEQM-INIZCTEOSA-N 1 2 344.459 2.418 20 30 EEEDLO C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001107945427 789675879 /nfs/dbraw/zinc/67/58/79/789675879.db2.gz GFIOOXDMNHYECP-HNAYVOBHSA-N 1 2 346.475 2.003 20 30 EEEDLO C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC001107945427 789675887 /nfs/dbraw/zinc/67/58/87/789675887.db2.gz GFIOOXDMNHYECP-HNAYVOBHSA-N 1 2 346.475 2.003 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)CCCC(=O)c2cccc(OC)c2)C1 ZINC000923559341 789768964 /nfs/dbraw/zinc/76/89/64/789768964.db2.gz KUOJGUPYLNRZCI-QGZVFWFLSA-N 1 2 342.439 2.262 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCC(=O)c2cccc(OC)c2)C1 ZINC000923559341 789768965 /nfs/dbraw/zinc/76/89/65/789768965.db2.gz KUOJGUPYLNRZCI-QGZVFWFLSA-N 1 2 342.439 2.262 20 30 EEEDLO C=CCOCC(=O)N[C@@H](CNc1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC001109792080 805996187 /nfs/dbraw/zinc/99/61/87/805996187.db2.gz OKYSEAWPCLSLAG-KRWDZBQOSA-N 1 2 344.459 2.173 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2c(F)ccc3ccncc32)C1 ZINC001107958623 789917565 /nfs/dbraw/zinc/91/75/65/789917565.db2.gz ZZBXSQIRSYEVBC-LJQANCHMSA-N 1 2 343.402 2.381 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2c(F)ccc3ccncc32)C1 ZINC001107958623 789917569 /nfs/dbraw/zinc/91/75/69/789917569.db2.gz ZZBXSQIRSYEVBC-LJQANCHMSA-N 1 2 343.402 2.381 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079046035 789999561 /nfs/dbraw/zinc/99/95/61/789999561.db2.gz QEWWJTNNYIEYDN-OAHLLOKOSA-N 1 2 346.475 2.394 20 30 EEEDLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCN(c2ccncc2C#N)C1 ZINC001063066060 790165688 /nfs/dbraw/zinc/16/56/88/790165688.db2.gz KGEUYYAGMPJGIX-HNNXBMFYSA-N 1 2 346.394 2.180 20 30 EEEDLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCN(c2ccc(C#N)nc2)C1 ZINC001063065378 790175294 /nfs/dbraw/zinc/17/52/94/790175294.db2.gz ARBGEQRQLSSGSB-MRXNPFEDSA-N 1 2 346.394 2.180 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC001091247592 790196295 /nfs/dbraw/zinc/19/62/95/790196295.db2.gz JWBXDEOIOYAAJW-IAGOWNOFSA-N 1 2 343.475 2.270 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCCC[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001091247592 790196298 /nfs/dbraw/zinc/19/62/98/790196298.db2.gz JWBXDEOIOYAAJW-IAGOWNOFSA-N 1 2 343.475 2.270 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(=O)N1CCC(C)CC1 ZINC001032560914 791349516 /nfs/dbraw/zinc/34/95/16/791349516.db2.gz VOHGONSVTNDBFS-ULQDDVLXSA-N 1 2 347.503 2.131 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(=O)N1CCC(C)CC1 ZINC001032560914 791349524 /nfs/dbraw/zinc/34/95/24/791349524.db2.gz VOHGONSVTNDBFS-ULQDDVLXSA-N 1 2 347.503 2.131 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc2c1OCCO2 ZINC001032562885 791404455 /nfs/dbraw/zinc/40/44/55/791404455.db2.gz HTASSCUZIPCEMH-HOTGVXAUSA-N 1 2 342.439 2.455 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc2c1OCCO2 ZINC001032562885 791404459 /nfs/dbraw/zinc/40/44/59/791404459.db2.gz HTASSCUZIPCEMH-HOTGVXAUSA-N 1 2 342.439 2.455 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1cn(C(C)C)nn1)C2 ZINC001147630725 791890190 /nfs/dbraw/zinc/89/01/90/791890190.db2.gz DBFHUENLZSZZGJ-UHFFFAOYSA-N 1 2 345.491 2.496 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1cn(C(C)C)nn1)C2 ZINC001147630725 791890195 /nfs/dbraw/zinc/89/01/95/791890195.db2.gz DBFHUENLZSZZGJ-UHFFFAOYSA-N 1 2 345.491 2.496 20 30 EEEDLO C#CCCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1cnns1)C2 ZINC001148059543 792126430 /nfs/dbraw/zinc/12/64/30/792126430.db2.gz BSQVJZFBDOSXTR-UHFFFAOYSA-N 1 2 332.473 2.156 20 30 EEEDLO C#CCCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1cnns1)C2 ZINC001148059543 792126436 /nfs/dbraw/zinc/12/64/36/792126436.db2.gz BSQVJZFBDOSXTR-UHFFFAOYSA-N 1 2 332.473 2.156 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nccc(C)n1)C2 ZINC001148147410 792187372 /nfs/dbraw/zinc/18/73/72/792187372.db2.gz RRLVEMLLRLVGMC-OAHLLOKOSA-N 1 2 328.460 2.422 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nccc(C)n1)C2 ZINC001148147410 792187377 /nfs/dbraw/zinc/18/73/77/792187377.db2.gz RRLVEMLLRLVGMC-OAHLLOKOSA-N 1 2 328.460 2.422 20 30 EEEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2cnns2)C3)CCC1 ZINC001148249985 792279124 /nfs/dbraw/zinc/27/91/24/792279124.db2.gz RGLVSFCEWWGNJN-UHFFFAOYSA-N 1 2 332.473 2.319 20 30 EEEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2cnns2)C3)CCC1 ZINC001148249985 792279133 /nfs/dbraw/zinc/27/91/33/792279133.db2.gz RGLVSFCEWWGNJN-UHFFFAOYSA-N 1 2 332.473 2.319 20 30 EEEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(F)F)cc1C#N ZINC001032610122 792292829 /nfs/dbraw/zinc/29/28/29/792292829.db2.gz XZIJCBGCGWLJPX-GJZGRUSLSA-N 1 2 349.381 2.397 20 30 EEEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(F)F)cc1C#N ZINC001032610122 792292836 /nfs/dbraw/zinc/29/28/36/792292836.db2.gz XZIJCBGCGWLJPX-GJZGRUSLSA-N 1 2 349.381 2.397 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nncn1C)C2 ZINC001148372709 792400916 /nfs/dbraw/zinc/40/09/16/792400916.db2.gz ZZLIJZLVPZZNNK-AWEZNQCLSA-N 1 2 331.464 2.013 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nncn1C)C2 ZINC001148372709 792400924 /nfs/dbraw/zinc/40/09/24/792400924.db2.gz ZZLIJZLVPZZNNK-AWEZNQCLSA-N 1 2 331.464 2.013 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCC1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001064107404 792418066 /nfs/dbraw/zinc/41/80/66/792418066.db2.gz KTNRQCDUOQZJBU-GJZGRUSLSA-N 1 2 346.475 2.346 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCC1(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001064107404 792418067 /nfs/dbraw/zinc/41/80/67/792418067.db2.gz KTNRQCDUOQZJBU-GJZGRUSLSA-N 1 2 346.475 2.346 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@H](C)N(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001089122495 792495549 /nfs/dbraw/zinc/49/55/49/792495549.db2.gz KXTISGPJDQROHB-HOCLYGCPSA-N 1 2 344.459 2.339 20 30 EEEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](Cc2ncnn2C)CC3)CC1 ZINC000992150954 792934501 /nfs/dbraw/zinc/93/45/01/792934501.db2.gz ITRCVGBJMLGHND-APWZRJJASA-N 1 2 343.475 2.175 20 30 EEEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](Cc2ncnn2C)CC3)CC1 ZINC000992150954 792934509 /nfs/dbraw/zinc/93/45/09/792934509.db2.gz ITRCVGBJMLGHND-APWZRJJASA-N 1 2 343.475 2.175 20 30 EEEDLO Cc1nc(N2CC[C@H](NC(=O)C#CC(C)C)[C@H]2C)c2c([nH+]1)CCCC2 ZINC001091961020 793431837 /nfs/dbraw/zinc/43/18/37/793431837.db2.gz BGABQJGBXBKCTP-PBHICJAKSA-N 1 2 340.471 2.407 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)[C@@H]1C ZINC001091956088 793460759 /nfs/dbraw/zinc/46/07/59/793460759.db2.gz PCHVWAOKJIYKCM-VCBZYWHSSA-N 1 2 346.475 2.319 20 30 EEEDLO C=CCOCC(=O)N1CCCC[C@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001092070248 793532897 /nfs/dbraw/zinc/53/28/97/793532897.db2.gz FGSWGZHPYXMCNH-KRWDZBQOSA-N 1 2 346.475 2.422 20 30 EEEDLO Cc1nsc(N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H](C)C2)c1C#N ZINC001064785671 793729035 /nfs/dbraw/zinc/72/90/35/793729035.db2.gz QMQVDCVUJQBHBP-AAEUAGOBSA-N 1 2 344.444 2.011 20 30 EEEDLO C[C@H]1C[C@@H](Nc2ccc(C#N)cn2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001064836756 793862312 /nfs/dbraw/zinc/86/23/12/793862312.db2.gz 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343.475 2.128 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCC1(Nc2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC001110304946 801187181 /nfs/dbraw/zinc/18/71/81/801187181.db2.gz WWHLSENACIVFSG-AWEZNQCLSA-N 1 2 343.475 2.128 20 30 EEEDLO O=C(C(F)C(F)(F)F)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001182719816 801305186 /nfs/dbraw/zinc/30/51/86/801305186.db2.gz WIVSJMCTXLAZFB-ZIAGYGMSSA-N 1 2 328.309 2.129 20 30 EEEDLO O=C([C@@H](F)C(F)(F)F)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001182719816 801305193 /nfs/dbraw/zinc/30/51/93/801305193.db2.gz WIVSJMCTXLAZFB-ZIAGYGMSSA-N 1 2 328.309 2.129 20 30 EEEDLO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)nn1 ZINC001033080293 801515503 /nfs/dbraw/zinc/51/55/03/801515503.db2.gz DVCWEHKRONIMPZ-QGZVFWFLSA-N 1 2 335.411 2.003 20 30 EEEDLO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)nn1 ZINC001033080293 801515506 /nfs/dbraw/zinc/51/55/06/801515506.db2.gz DVCWEHKRONIMPZ-QGZVFWFLSA-N 1 2 335.411 2.003 20 30 EEEDLO C[C@@H](CCCCNc1ncc(C#N)cc1F)NC(=O)Cn1cc[nH+]c1 ZINC001090096943 801559451 /nfs/dbraw/zinc/55/94/51/801559451.db2.gz DISCXCUKZIWYGN-ZDUSSCGKSA-N 1 2 344.394 2.076 20 30 EEEDLO C=C(Cl)CN1CC[C@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001085923481 801669780 /nfs/dbraw/zinc/66/97/80/801669780.db2.gz ZEZPNAPAMSXPSF-HNNXBMFYSA-N 1 2 345.834 2.166 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2ccccc2)nc1 ZINC001085930295 801683351 /nfs/dbraw/zinc/68/33/51/801683351.db2.gz SWFYLHGNHZFSHE-HXUWFJFHSA-N 1 2 343.430 2.261 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2ccccc2)nc1 ZINC001085930295 801683356 /nfs/dbraw/zinc/68/33/56/801683356.db2.gz SWFYLHGNHZFSHE-HXUWFJFHSA-N 1 2 343.430 2.261 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2oc(C)nc2C)nc1 ZINC001085933437 801692317 /nfs/dbraw/zinc/69/23/17/801692317.db2.gz ADOJCXHXELRCLD-MRXNPFEDSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2oc(C)nc2C)nc1 ZINC001085933437 801692321 /nfs/dbraw/zinc/69/23/21/801692321.db2.gz ADOJCXHXELRCLD-MRXNPFEDSA-N 1 2 338.411 2.014 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)NCCC1COC1 ZINC001183841778 801767592 /nfs/dbraw/zinc/76/75/92/801767592.db2.gz PDJRCNXQRABZHK-GOSISDBHSA-N 1 2 327.428 2.065 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1COC1 ZINC001183841778 801767595 /nfs/dbraw/zinc/76/75/95/801767595.db2.gz PDJRCNXQRABZHK-GOSISDBHSA-N 1 2 327.428 2.065 20 30 EEEDLO Cc1nccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)n1 ZINC001085978709 801828131 /nfs/dbraw/zinc/82/81/31/801828131.db2.gz ZONSYUXRCJKBCJ-ZDUSSCGKSA-N 1 2 341.440 2.065 20 30 EEEDLO Cc1nccc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)n1 ZINC001085978709 801828136 /nfs/dbraw/zinc/82/81/36/801828136.db2.gz ZONSYUXRCJKBCJ-ZDUSSCGKSA-N 1 2 341.440 2.065 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)s2)C[C@H]1O ZINC001100021097 801950212 /nfs/dbraw/zinc/95/02/12/801950212.db2.gz XQNYVFDPMRJLGS-UONOGXRCSA-N 1 2 337.489 2.105 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2ncc(C)s2)C[C@H]1O ZINC001100021097 801950213 /nfs/dbraw/zinc/95/02/13/801950213.db2.gz XQNYVFDPMRJLGS-UONOGXRCSA-N 1 2 337.489 2.105 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2nccc3cccnc32)CC1 ZINC001004456289 802115209 /nfs/dbraw/zinc/11/52/09/802115209.db2.gz DDIHWRNBUOETBB-KRWDZBQOSA-N 1 2 349.438 2.470 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2nccc3cccnc32)CC1 ZINC001004456289 802115214 /nfs/dbraw/zinc/11/52/14/802115214.db2.gz DDIHWRNBUOETBB-KRWDZBQOSA-N 1 2 349.438 2.470 20 30 EEEDLO CCc1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c(C)nn1 ZINC001004496938 802226837 /nfs/dbraw/zinc/22/68/37/802226837.db2.gz FBSZQWBUNNSPBH-SFHVURJKSA-N 1 2 341.459 2.188 20 30 EEEDLO CCc1cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c(C)nn1 ZINC001004496938 802226847 /nfs/dbraw/zinc/22/68/47/802226847.db2.gz FBSZQWBUNNSPBH-SFHVURJKSA-N 1 2 341.459 2.188 20 30 EEEDLO Cc1nc(NC[C@H]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)CC2)cc[nH+]1 ZINC001066426171 802371079 /nfs/dbraw/zinc/37/10/79/802371079.db2.gz QPVVCGXUKLYRIE-HDJSIYSDSA-N 1 2 338.415 2.386 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001066429959 802391166 /nfs/dbraw/zinc/39/11/66/802391166.db2.gz WGPBCEUECGCAKJ-HOTGVXAUSA-N 1 2 346.475 2.062 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2c[nH]nc2C2CC2)CC1 ZINC001004593031 802442048 /nfs/dbraw/zinc/44/20/48/802442048.db2.gz RQWPZOZEPPQBEQ-MRXNPFEDSA-N 1 2 327.432 2.127 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2c[nH]nc2C2CC2)CC1 ZINC001004593031 802442054 /nfs/dbraw/zinc/44/20/54/802442054.db2.gz RQWPZOZEPPQBEQ-MRXNPFEDSA-N 1 2 327.432 2.127 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001033146810 802443060 /nfs/dbraw/zinc/44/30/60/802443060.db2.gz QPXNFSUJDSJKEZ-KRWDZBQOSA-N 1 2 341.459 2.063 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001033146810 802443064 /nfs/dbraw/zinc/44/30/64/802443064.db2.gz QPXNFSUJDSJKEZ-KRWDZBQOSA-N 1 2 341.459 2.063 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CC3(C2)CCOCC3)CC1 ZINC001004596962 802451274 /nfs/dbraw/zinc/45/12/74/802451274.db2.gz PATCGTCCIARAPT-SFHVURJKSA-N 1 2 345.487 2.420 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2CC3(C2)CCOCC3)CC1 ZINC001004596962 802451282 /nfs/dbraw/zinc/45/12/82/802451282.db2.gz PATCGTCCIARAPT-SFHVURJKSA-N 1 2 345.487 2.420 20 30 EEEDLO CC(C)c1ncncc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004617470 802493730 /nfs/dbraw/zinc/49/37/30/802493730.db2.gz QBLVJBVTBNQMHM-KRWDZBQOSA-N 1 2 341.459 2.440 20 30 EEEDLO CC(C)c1ncncc1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004617470 802493731 /nfs/dbraw/zinc/49/37/31/802493731.db2.gz QBLVJBVTBNQMHM-KRWDZBQOSA-N 1 2 341.459 2.440 20 30 EEEDLO C=CCCC1(C(=O)N2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001066442972 802497296 /nfs/dbraw/zinc/49/72/96/802497296.db2.gz JDTWTUFGJZFZFQ-HNNXBMFYSA-N 1 2 344.459 2.196 20 30 EEEDLO C[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)C1CCOCC1 ZINC001004634317 802515148 /nfs/dbraw/zinc/51/51/48/802515148.db2.gz MRDBLLDIICUVSX-CRAIPNDOSA-N 1 2 333.476 2.276 20 30 EEEDLO C[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)C1CCOCC1 ZINC001004634317 802515152 /nfs/dbraw/zinc/51/51/52/802515152.db2.gz MRDBLLDIICUVSX-CRAIPNDOSA-N 1 2 333.476 2.276 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)c2ccccc2F)C1 ZINC001108279215 803057912 /nfs/dbraw/zinc/05/79/12/803057912.db2.gz ASGAFFANUJINFE-IBGZPJMESA-N 1 2 334.435 2.496 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)c2ccccc2F)C1 ZINC001108279215 803057915 /nfs/dbraw/zinc/05/79/15/803057915.db2.gz ASGAFFANUJINFE-IBGZPJMESA-N 1 2 334.435 2.496 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc3ccncc3c2)C1 ZINC001108324600 803291767 /nfs/dbraw/zinc/29/17/67/803291767.db2.gz AQHUPBFGVWVQLR-IBGZPJMESA-N 1 2 325.412 2.242 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc3ccncc3c2)C1 ZINC001108324600 803291773 /nfs/dbraw/zinc/29/17/73/803291773.db2.gz AQHUPBFGVWVQLR-IBGZPJMESA-N 1 2 325.412 2.242 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2ccc(OCC)cc2)C1 ZINC001108380899 803407166 /nfs/dbraw/zinc/40/71/66/803407166.db2.gz WNMGOMIMDDTTIX-IBGZPJMESA-N 1 2 332.444 2.021 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2ccc(OCC)cc2)C1 ZINC001108380899 803407171 /nfs/dbraw/zinc/40/71/71/803407171.db2.gz WNMGOMIMDDTTIX-IBGZPJMESA-N 1 2 332.444 2.021 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC001108408071 803495427 /nfs/dbraw/zinc/49/54/27/803495427.db2.gz BPRBLLRXVVSJMR-QUCCMNQESA-N 1 2 344.455 2.000 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC001108408071 803495430 /nfs/dbraw/zinc/49/54/30/803495430.db2.gz BPRBLLRXVVSJMR-QUCCMNQESA-N 1 2 344.455 2.000 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001108432657 803549055 /nfs/dbraw/zinc/54/90/55/803549055.db2.gz NIJDZDBYQARTFQ-SFTDATJTSA-N 1 2 340.467 2.121 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001108432657 803549061 /nfs/dbraw/zinc/54/90/61/803549061.db2.gz NIJDZDBYQARTFQ-SFTDATJTSA-N 1 2 340.467 2.121 20 30 EEEDLO CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001108964461 804740951 /nfs/dbraw/zinc/74/09/51/804740951.db2.gz WRPYTIGLMXYOMY-ZYUBPSHWSA-N 1 2 345.418 2.344 20 30 EEEDLO CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001108964461 804740959 /nfs/dbraw/zinc/74/09/59/804740959.db2.gz WRPYTIGLMXYOMY-ZYUBPSHWSA-N 1 2 345.418 2.344 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C)no1 ZINC001109038385 804877440 /nfs/dbraw/zinc/87/74/40/804877440.db2.gz QHFSYLIZUUMJAU-JHNDHUHGSA-N 1 2 333.432 2.186 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C)no1 ZINC001109038385 804877446 /nfs/dbraw/zinc/87/74/46/804877446.db2.gz QHFSYLIZUUMJAU-JHNDHUHGSA-N 1 2 333.432 2.186 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)c(C)s1 ZINC001109270654 805219374 /nfs/dbraw/zinc/21/93/74/805219374.db2.gz QAPIRZNCUZLHTM-PMPSAXMXSA-N 1 2 347.484 2.021 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)c(C)s1 ZINC001109270654 805219382 /nfs/dbraw/zinc/21/93/82/805219382.db2.gz QAPIRZNCUZLHTM-PMPSAXMXSA-N 1 2 347.484 2.021 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(C)c1C)C2 ZINC001109326510 805298827 /nfs/dbraw/zinc/29/88/27/805298827.db2.gz APGXRXKBRVVPQL-KBMXLJTQSA-N 1 2 347.484 2.002 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(C)c1C)C2 ZINC001109326510 805298833 /nfs/dbraw/zinc/29/88/33/805298833.db2.gz APGXRXKBRVVPQL-KBMXLJTQSA-N 1 2 347.484 2.002 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CCCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001109343984 805331826 /nfs/dbraw/zinc/33/18/26/805331826.db2.gz IULWQJILINGFIQ-JKSUJKDBSA-N 1 2 332.448 2.465 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C(C)C ZINC001109350706 805337645 /nfs/dbraw/zinc/33/76/45/805337645.db2.gz BSKKMMVDBCDDDG-NCOADZHNSA-N 1 2 335.492 2.225 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C(C)C ZINC001109350706 805337651 /nfs/dbraw/zinc/33/76/51/805337651.db2.gz BSKKMMVDBCDDDG-NCOADZHNSA-N 1 2 335.492 2.225 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112794143 807260599 /nfs/dbraw/zinc/26/05/99/807260599.db2.gz AMNZIBFHRFPSKE-QFBILLFUSA-N 1 2 346.475 2.156 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 ZINC001112929936 807627858 /nfs/dbraw/zinc/62/78/58/807627858.db2.gz WDRMYDAOOIQTPQ-UHFFFAOYSA-N 1 2 332.419 2.204 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnccn2)C1 ZINC001086572847 807968068 /nfs/dbraw/zinc/96/80/68/807968068.db2.gz QKNDCIAPKUVAPN-DOTOQJQBSA-N 1 2 342.830 2.427 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnccn2)C1 ZINC001086572847 807968074 /nfs/dbraw/zinc/96/80/74/807968074.db2.gz QKNDCIAPKUVAPN-DOTOQJQBSA-N 1 2 342.830 2.427 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](CCOCCC(C)C)CC1 ZINC001113158932 808296880 /nfs/dbraw/zinc/29/68/80/808296880.db2.gz QZNRZNALGXMPOQ-IBGZPJMESA-N 1 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/nfs/dbraw/zinc/15/00/06/809150006.db2.gz VVOBOGWHULPDMN-OAHLLOKOSA-N 1 2 349.500 2.218 20 30 EEEDLO Cc1nc(N(C)[C@@H](C)CNC(=O)C#CC(C)C)c2c([nH+]1)CCCC2 ZINC001113600687 809328300 /nfs/dbraw/zinc/32/83/00/809328300.db2.gz VCNPHBGCPVNLGI-AWEZNQCLSA-N 1 2 328.460 2.264 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113640215 809424015 /nfs/dbraw/zinc/42/40/15/809424015.db2.gz RAFAIQHUSUICHR-KGLIPLIRSA-N 1 2 332.448 2.194 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](C[C@H](O)c2ccc(CC)cc2)CC1 ZINC001113712690 809617907 /nfs/dbraw/zinc/61/79/07/809617907.db2.gz CSHHRPCVRYTDTA-APWZRJJASA-N 1 2 346.471 2.018 20 30 EEEDLO CCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001113930053 810088528 /nfs/dbraw/zinc/08/85/28/810088528.db2.gz WEWPWDMIPZBFLL-KBEGMRNHSA-N 1 2 346.858 2.163 20 30 EEEDLO CCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001113930053 810088532 /nfs/dbraw/zinc/08/85/32/810088532.db2.gz WEWPWDMIPZBFLL-KBEGMRNHSA-N 1 2 346.858 2.163 20 30 EEEDLO Cc1cc(N(C)[C@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)c(C#N)cn1 ZINC001113970235 810131181 /nfs/dbraw/zinc/13/11/81/810131181.db2.gz LZOIRQPNTDYAAK-CYBMUJFWSA-N 1 2 348.410 2.393 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(-c4cccs4)o3)C[C@H]21 ZINC001114067614 810257989 /nfs/dbraw/zinc/25/79/89/810257989.db2.gz URGLCNZRCSEGEL-PVTKRXDGSA-N 1 2 342.424 2.109 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(-c4cccs4)o3)C[C@H]21 ZINC001114067614 810257992 /nfs/dbraw/zinc/25/79/92/810257992.db2.gz URGLCNZRCSEGEL-PVTKRXDGSA-N 1 2 342.424 2.109 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(CCCC)no3)C[C@H]21 ZINC001114159869 810476121 /nfs/dbraw/zinc/47/61/21/810476121.db2.gz NCWRKWUNABEGGH-QWHZDKJVSA-N 1 2 344.459 2.152 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(CCCC)no3)C[C@H]21 ZINC001114159869 810476127 /nfs/dbraw/zinc/47/61/27/810476127.db2.gz NCWRKWUNABEGGH-QWHZDKJVSA-N 1 2 344.459 2.152 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3nnc(CC(C)C)o3)C[C@H]21 ZINC001114201174 810580339 /nfs/dbraw/zinc/58/03/39/810580339.db2.gz KVUWOTZMZCCGMQ-BSXFFOKHSA-N 1 2 344.459 2.179 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3nnc(CC(C)C)o3)C[C@H]21 ZINC001114201174 810580342 /nfs/dbraw/zinc/58/03/42/810580342.db2.gz KVUWOTZMZCCGMQ-BSXFFOKHSA-N 1 2 344.459 2.179 20 30 EEEDLO C=CCCC(=O)N[C@H](CCCC)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001114216281 810605362 /nfs/dbraw/zinc/60/53/62/810605362.db2.gz QMHZIAGNNPDBKD-CQSZACIVSA-N 1 2 334.468 2.299 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CCCOCC)C[C@H](C)O2 ZINC001131638053 813056389 /nfs/dbraw/zinc/05/63/89/813056389.db2.gz GDRZMLZELHXTQZ-DOTOQJQBSA-N 1 2 344.883 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCCOCC)C[C@H](C)O2 ZINC001131638053 813056401 /nfs/dbraw/zinc/05/64/01/813056401.db2.gz GDRZMLZELHXTQZ-DOTOQJQBSA-N 1 2 344.883 2.247 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(CCNC(=O)CCC3CC3)CC2)s1 ZINC001436700794 1088163590 /nfs/dbraw/zinc/16/35/90/1088163590.db2.gz TVKUSERRNSEPQV-UHFFFAOYSA-N 1 2 346.500 2.044 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2c(F)cccc2Cl)C1 ZINC001440018948 1093129349 /nfs/dbraw/zinc/12/93/49/1093129349.db2.gz JZTHULACGUSQCV-OAHLLOKOSA-N 1 2 347.217 2.398 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2c(F)cccc2Cl)C1 ZINC001440018948 1093129353 /nfs/dbraw/zinc/12/93/53/1093129353.db2.gz JZTHULACGUSQCV-OAHLLOKOSA-N 1 2 347.217 2.398 20 30 EEEDLO Cc1noc([C@H](C)[NH2+]CCN(Cc2ccccc2)C(=O)[C@H](C)C#N)n1 ZINC001440128037 1093190847 /nfs/dbraw/zinc/19/08/47/1093190847.db2.gz NYEPSSLFOXIMIT-KGLIPLIRSA-N 1 2 341.415 2.217 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cn1nc(C)c2cccnc21)C1CC1 ZINC001443035886 1097444477 /nfs/dbraw/zinc/44/44/77/1097444477.db2.gz SFAWWARPZNCZGW-UHFFFAOYSA-N 1 2 347.850 2.073 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)Cn1nc(C)c2cccnc21)C1CC1 ZINC001443035886 1097444480 /nfs/dbraw/zinc/44/44/80/1097444480.db2.gz SFAWWARPZNCZGW-UHFFFAOYSA-N 1 2 347.850 2.073 20 30 EEEDLO Cc1ccccc1-c1cnc(C[NH+]2CC(CNC(=O)[C@@H](C)C#N)C2)o1 ZINC001443570651 1098065843 /nfs/dbraw/zinc/06/58/43/1098065843.db2.gz LWYXMIKVFFVGSF-AWEZNQCLSA-N 1 2 338.411 2.358 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC001444833242 1099785232 /nfs/dbraw/zinc/78/52/32/1099785232.db2.gz DGCVBPJAIFWEEK-UHFFFAOYSA-N 1 2 339.871 2.050 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC001444833242 1099785240 /nfs/dbraw/zinc/78/52/40/1099785240.db2.gz DGCVBPJAIFWEEK-UHFFFAOYSA-N 1 2 339.871 2.050 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(-c2cccnc2)on1 ZINC001445039114 1100215035 /nfs/dbraw/zinc/21/50/35/1100215035.db2.gz SUZVLJWJTVDWCK-UHFFFAOYSA-N 1 2 334.807 2.493 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(-c2cccnc2)on1 ZINC001445039114 1100215041 /nfs/dbraw/zinc/21/50/41/1100215041.db2.gz SUZVLJWJTVDWCK-UHFFFAOYSA-N 1 2 334.807 2.493 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)C1CCOCC1 ZINC001447314026 1102433847 /nfs/dbraw/zinc/43/38/47/1102433847.db2.gz LLPHIXUTNZFDRG-UHFFFAOYSA-N 1 2 333.270 2.102 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)C1CCOCC1 ZINC001447314026 1102433843 /nfs/dbraw/zinc/43/38/43/1102433843.db2.gz LLPHIXUTNZFDRG-UHFFFAOYSA-N 1 2 333.270 2.102 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)c1c[nH]c(C)n1 ZINC001447783433 1103330526 /nfs/dbraw/zinc/33/05/26/1103330526.db2.gz YJTDSRVJHOQPRC-GFCCVEGCSA-N 1 2 341.253 2.163 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1c[nH]c(C)n1 ZINC001447783433 1103330540 /nfs/dbraw/zinc/33/05/40/1103330540.db2.gz YJTDSRVJHOQPRC-GFCCVEGCSA-N 1 2 341.253 2.163 20 30 EEEDLO CSC[C@@H](C)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001494538898 1104129827 /nfs/dbraw/zinc/12/98/27/1104129827.db2.gz PYPQYFBVSJVKGR-GFCCVEGCSA-N 1 2 335.448 2.244 20 30 EEEDLO CO[C@@H](CC(C)C)C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001494589802 1104176799 /nfs/dbraw/zinc/17/67/99/1104176799.db2.gz BAYPGGPQSZGCFF-SFHVURJKSA-N 1 2 329.444 2.167 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1[nH]nc2c1cccc2OC ZINC001498301305 1107250034 /nfs/dbraw/zinc/25/00/34/1107250034.db2.gz NAGLXFPUQNLUAI-NSHDSACASA-N 1 2 336.823 2.374 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1[nH]nc2c1cccc2OC ZINC001498301305 1107250039 /nfs/dbraw/zinc/25/00/39/1107250039.db2.gz NAGLXFPUQNLUAI-NSHDSACASA-N 1 2 336.823 2.374 20 30 EEEDLO C[C@@H](c1nccs1)N1CC[NH+](C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001459904176 1110250011 /nfs/dbraw/zinc/25/00/11/1110250011.db2.gz YSNILHVTQARYAI-WMLDXEAASA-N 1 2 342.468 2.427 20 30 EEEDLO C[C@@H](c1nccs1)N1CC[NH+](C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001459904177 1110250332 /nfs/dbraw/zinc/25/03/32/1110250332.db2.gz YSNILHVTQARYAI-YOEHRIQHSA-N 1 2 342.468 2.427 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)CC1CCOCC1 ZINC001502168864 1113624890 /nfs/dbraw/zinc/62/48/90/1113624890.db2.gz ZUPBZTPPCIWVTJ-UHFFFAOYSA-N 1 2 347.297 2.492 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)CC1CCOCC1 ZINC001502168864 1113624891 /nfs/dbraw/zinc/62/48/91/1113624891.db2.gz ZUPBZTPPCIWVTJ-UHFFFAOYSA-N 1 2 347.297 2.492 20 30 EEEDLO C=C(C)CN(C)c1nnc(C[NH+]2CCCCC2)n1C[C@H]1CCOC1 ZINC001526100434 1120439018 /nfs/dbraw/zinc/43/90/18/1120439018.db2.gz NIBVPYXRLYVPPM-MRXNPFEDSA-N 1 2 333.480 2.313 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@H]2CC[C@H](NC(=O)[C@H](C)C#N)CC2)c(C)[nH+]1 ZINC001531908000 1122601677 /nfs/dbraw/zinc/60/16/77/1122601677.db2.gz CBXPIICQEDFLNQ-DAXOMENPSA-N 1 2 342.443 2.324 20 30 EEEDLO N#Cc1ccccc1OCCN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000174664667 231272452 /nfs/dbraw/zinc/27/24/52/231272452.db2.gz KIJXWLRDAVYLHX-UHFFFAOYSA-N 1 2 337.423 2.460 20 30 EEEDLO CC(=O)N(C)C1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000068576145 215319402 /nfs/dbraw/zinc/31/94/02/215319402.db2.gz IGHDNOCXQQXSNB-UHFFFAOYSA-N 1 2 348.834 2.093 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCc4cc(F)ccc4C3)C2=O)cc1 ZINC000131340119 283153070 /nfs/dbraw/zinc/15/30/70/283153070.db2.gz FTSSWUBBSIHIDC-SFHVURJKSA-N 1 2 349.365 2.388 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCc4cc(F)ccc4C3)C2=O)cc1 ZINC000131340119 283153075 /nfs/dbraw/zinc/15/30/75/283153075.db2.gz FTSSWUBBSIHIDC-SFHVURJKSA-N 1 2 349.365 2.388 20 30 EEEDLO N#Cc1ccc([C@@H]([NH2+][C@H]2COc3ccc(Cl)cc32)C(N)=O)cc1 ZINC000353853392 283187620 /nfs/dbraw/zinc/18/76/20/283187620.db2.gz SGZIHGUWGKHPDB-GOEBONIOSA-N 1 2 327.771 2.461 20 30 EEEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000131867645 237212286 /nfs/dbraw/zinc/21/22/86/237212286.db2.gz DXBSWSFZVYAQCY-DOTOQJQBSA-N 1 2 330.432 2.051 20 30 EEEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000108846739 219925506 /nfs/dbraw/zinc/92/55/06/219925506.db2.gz ZIFCICDXDRJWPV-FUHWJXTLSA-N 1 2 340.471 2.375 20 30 EEEDLO CCN1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000459441992 245122500 /nfs/dbraw/zinc/12/25/00/245122500.db2.gz LSHHWSJFGRQLLB-MRXNPFEDSA-N 1 2 340.387 2.068 20 30 EEEDLO N#Cc1ccc(OCCN2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000081018870 217352192 /nfs/dbraw/zinc/35/21/92/217352192.db2.gz NNXPGVSJUUCDPW-UHFFFAOYSA-N 1 2 337.423 2.460 20 30 EEEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000491628052 246088160 /nfs/dbraw/zinc/08/81/60/246088160.db2.gz KLNWYEUOHKGNJN-OCCSQVGLSA-N 1 2 335.245 2.376 20 30 EEEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000491628052 246088164 /nfs/dbraw/zinc/08/81/64/246088164.db2.gz KLNWYEUOHKGNJN-OCCSQVGLSA-N 1 2 335.245 2.376 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)CCOc2cccc(C)c2)n1 ZINC000491704083 246119229 /nfs/dbraw/zinc/11/92/29/246119229.db2.gz UEJGFVKTGYEASJ-UHFFFAOYSA-N 1 2 327.428 2.352 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)CCOc2cccc(C)c2)n1 ZINC000491704083 246119235 /nfs/dbraw/zinc/11/92/35/246119235.db2.gz UEJGFVKTGYEASJ-UHFFFAOYSA-N 1 2 327.428 2.352 20 30 EEEDLO C#C[C@H](NC(=O)N[C@@H](C)C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000491807802 246162784 /nfs/dbraw/zinc/16/27/84/246162784.db2.gz UMWXLMBRANFBEO-BBRMVZONSA-N 1 2 335.835 2.034 20 30 EEEDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccccc1C#N ZINC000057843158 296234021 /nfs/dbraw/zinc/23/40/21/296234021.db2.gz VOLCCDGAXQNEJV-ZDUSSCGKSA-N 1 2 329.425 2.399 20 30 EEEDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccccc1C#N ZINC000057843158 296234022 /nfs/dbraw/zinc/23/40/22/296234022.db2.gz VOLCCDGAXQNEJV-ZDUSSCGKSA-N 1 2 329.425 2.399 20 30 EEEDLO C=CCc1cc(C[N@@H+](CC)[C@H](C)CS(C)(=O)=O)cc(OC)c1O ZINC000093390513 218220798 /nfs/dbraw/zinc/22/07/98/218220798.db2.gz FVTQRFIEJDXGJV-CYBMUJFWSA-N 1 2 341.473 2.384 20 30 EEEDLO C=CCc1cc(C[N@H+](CC)[C@H](C)CS(C)(=O)=O)cc(OC)c1O ZINC000093390513 218220799 /nfs/dbraw/zinc/22/07/99/218220799.db2.gz FVTQRFIEJDXGJV-CYBMUJFWSA-N 1 2 341.473 2.384 20 30 EEEDLO Cn1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)n1 ZINC000271210608 256220045 /nfs/dbraw/zinc/22/00/45/256220045.db2.gz UUOWYOGSNBUWHS-UHFFFAOYSA-N 1 2 332.411 2.162 20 30 EEEDLO COc1ccc(F)cc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000271266458 256227227 /nfs/dbraw/zinc/22/72/27/256227227.db2.gz LOBYKXHCNCOISH-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO CS(=O)(=O)N(CC[N@H+](CCC#N)CC1CC1)Cc1ccccc1 ZINC000192054619 533378876 /nfs/dbraw/zinc/37/88/76/533378876.db2.gz ACCOURDEGKJFEX-UHFFFAOYSA-N 1 2 335.473 2.074 20 30 EEEDLO CS(=O)(=O)N(CC[N@@H+](CCC#N)CC1CC1)Cc1ccccc1 ZINC000192054619 533378883 /nfs/dbraw/zinc/37/88/83/533378883.db2.gz ACCOURDEGKJFEX-UHFFFAOYSA-N 1 2 335.473 2.074 20 30 EEEDLO Cc1cc(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc[nH+]1 ZINC000119732863 142374770 /nfs/dbraw/zinc/37/47/70/142374770.db2.gz DBHPHDRPTMWGRW-UHFFFAOYSA-N 1 2 336.399 2.447 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H](O)COCc3ccco3)CCO2)c1 ZINC000341800409 161014453 /nfs/dbraw/zinc/01/44/53/161014453.db2.gz SDHGZGIQWAUXDN-PKOBYXMFSA-N 1 2 342.395 2.102 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H](O)COCc3ccco3)CCO2)c1 ZINC000341800409 161014454 /nfs/dbraw/zinc/01/44/54/161014454.db2.gz SDHGZGIQWAUXDN-PKOBYXMFSA-N 1 2 342.395 2.102 20 30 EEEDLO CNC(=O)c1cccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000341816220 161015938 /nfs/dbraw/zinc/01/59/38/161015938.db2.gz ZUJCKQNRPYOUEK-LJQANCHMSA-N 1 2 335.407 2.491 20 30 EEEDLO CNC(=O)c1cccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000341816220 161015939 /nfs/dbraw/zinc/01/59/39/161015939.db2.gz ZUJCKQNRPYOUEK-LJQANCHMSA-N 1 2 335.407 2.491 20 30 EEEDLO N#Cc1ccccc1OCC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343364502 161129030 /nfs/dbraw/zinc/12/90/30/161129030.db2.gz YTBVELYCRONCEL-UHFFFAOYSA-N 1 2 333.351 2.216 20 30 EEEDLO CCc1cc(=O)[nH]c(C[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344065168 161195285 /nfs/dbraw/zinc/19/52/85/161195285.db2.gz GHWBXTDAXLHKPX-UHFFFAOYSA-N 1 2 326.400 2.265 20 30 EEEDLO CCc1cc(=O)[nH]c(C[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344065168 161195286 /nfs/dbraw/zinc/19/52/86/161195286.db2.gz GHWBXTDAXLHKPX-UHFFFAOYSA-N 1 2 326.400 2.265 20 30 EEEDLO CCc1cnccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344815635 161248243 /nfs/dbraw/zinc/24/82/43/161248243.db2.gz VOLBUQHPRQOUNS-UHFFFAOYSA-N 1 2 334.423 2.474 20 30 EEEDLO COC(=O)c1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c[nH]1 ZINC000355133817 163091233 /nfs/dbraw/zinc/09/12/33/163091233.db2.gz NBOXXGVTVBHWTR-QGZVFWFLSA-N 1 2 325.368 2.246 20 30 EEEDLO COC(=O)c1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c[nH]1 ZINC000355133817 163091235 /nfs/dbraw/zinc/09/12/35/163091235.db2.gz NBOXXGVTVBHWTR-QGZVFWFLSA-N 1 2 325.368 2.246 20 30 EEEDLO CC[C@@H](C(=O)Nc1cc(C#N)ccc1NC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000355643466 163257118 /nfs/dbraw/zinc/25/71/18/163257118.db2.gz MFBXHHGYNFFYRH-YOEHRIQHSA-N 1 2 330.432 2.428 20 30 EEEDLO CC[C@@H](C(=O)Nc1cc(C#N)ccc1NC)[N@H+]1CCO[C@@H](CC)C1 ZINC000355643466 163257119 /nfs/dbraw/zinc/25/71/19/163257119.db2.gz MFBXHHGYNFFYRH-YOEHRIQHSA-N 1 2 330.432 2.428 20 30 EEEDLO CCOC(=O)[C@H]([NH2+]CCCOc1cccc(C#N)c1)[C@H]1CCCOC1 ZINC000359844028 164183027 /nfs/dbraw/zinc/18/30/27/164183027.db2.gz SRSOAWFEORFNJQ-FUHWJXTLSA-N 1 2 346.427 2.275 20 30 EEEDLO C[C@@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000360309554 164281860 /nfs/dbraw/zinc/28/18/60/164281860.db2.gz ICPSFMBWEZVUBY-VQIMIIECSA-N 1 2 341.455 2.375 20 30 EEEDLO COc1ccc(C#N)cc1C[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000154989156 292533033 /nfs/dbraw/zinc/53/30/33/292533033.db2.gz VEAJXOUMFFFFPA-UHFFFAOYSA-N 1 2 326.400 2.181 20 30 EEEDLO Cc1ccc(C(=O)CCN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000159976836 225313349 /nfs/dbraw/zinc/31/33/49/225313349.db2.gz GIMUWDHTHLHJOW-UHFFFAOYSA-N 1 2 329.444 2.116 20 30 EEEDLO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292224845 267005108 /nfs/dbraw/zinc/00/51/08/267005108.db2.gz PFKWOAICMPRCFS-FZMZJTMJSA-N 1 2 325.372 2.428 20 30 EEEDLO C[C@@H](c1nc(C2CC2)no1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292224845 267005111 /nfs/dbraw/zinc/00/51/11/267005111.db2.gz PFKWOAICMPRCFS-FZMZJTMJSA-N 1 2 325.372 2.428 20 30 EEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000301213631 267129835 /nfs/dbraw/zinc/12/98/35/267129835.db2.gz XPGGCPKPEKUQKL-GFCCVEGCSA-N 1 2 332.835 2.001 20 30 EEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000301283239 267130568 /nfs/dbraw/zinc/13/05/68/267130568.db2.gz YIUKCLMQSRWJRC-GFCCVEGCSA-N 1 2 332.835 2.001 20 30 EEEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000451924045 267257501 /nfs/dbraw/zinc/25/75/01/267257501.db2.gz BBQSETWTLKTMPN-SECBINFHSA-N 1 2 340.355 2.092 20 30 EEEDLO Cc1cc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nc[nH+]1 ZINC000301234382 267339811 /nfs/dbraw/zinc/33/98/11/267339811.db2.gz JOKOEJDBTCKDIZ-UHFFFAOYSA-N 1 2 336.355 2.231 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1(C)C ZINC000295447853 267830310 /nfs/dbraw/zinc/83/03/10/267830310.db2.gz YWMMJJCAJGQIPI-CQSZACIVSA-N 1 2 348.403 2.203 20 30 EEEDLO Cc1ccnc(N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c1C#N ZINC000440655773 268064224 /nfs/dbraw/zinc/06/42/24/268064224.db2.gz WXGPFDWCQFNBDY-SFHVURJKSA-N 1 2 330.432 2.162 20 30 EEEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000281010472 268083455 /nfs/dbraw/zinc/08/34/55/268083455.db2.gz VAQQLLFBLYWFSZ-SJORKVTESA-N 1 2 333.395 2.370 20 30 EEEDLO N#Cc1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000290579786 268157344 /nfs/dbraw/zinc/15/73/44/268157344.db2.gz VRMZXGRWUOECLK-UHFFFAOYSA-N 1 2 339.355 2.310 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)Nc2ccc(F)cc2C#N)CCO1 ZINC000275402380 269113065 /nfs/dbraw/zinc/11/30/65/269113065.db2.gz BZMRKLXNAJPOMP-CZUORRHYSA-N 1 2 343.362 2.473 20 30 EEEDLO N#Cc1ccc(NC(=O)NCC2([NH+]3CCOCC3)CC2)cc1Cl ZINC000277942020 269200004 /nfs/dbraw/zinc/20/00/04/269200004.db2.gz GAWAGWWHWQUEKT-UHFFFAOYSA-N 1 2 334.807 2.198 20 30 EEEDLO Cc1cc(S(=O)(=O)Nc2cc(C[NH+](C)C)ccn2)ccc1C#N ZINC000278110477 269208266 /nfs/dbraw/zinc/20/82/66/269208266.db2.gz BKOGTQNADVGHFL-UHFFFAOYSA-N 1 2 330.413 2.124 20 30 EEEDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C2CC2)O1 ZINC000279306312 269269578 /nfs/dbraw/zinc/26/95/78/269269578.db2.gz MRSVQQYHPDGYGR-XWIAVFTESA-N 1 2 325.412 2.163 20 30 EEEDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C2CC2)O1 ZINC000279306312 269269580 /nfs/dbraw/zinc/26/95/80/269269580.db2.gz MRSVQQYHPDGYGR-XWIAVFTESA-N 1 2 325.412 2.163 20 30 EEEDLO CC(C)C[C@H](CNc1ncc(C#N)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000450247878 275596827 /nfs/dbraw/zinc/59/68/27/275596827.db2.gz ZUSAMNJCYXMEQZ-CQSZACIVSA-N 1 2 333.392 2.020 20 30 EEEDLO COC(=O)[C@@]1(C)CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000412059735 277376762 /nfs/dbraw/zinc/37/67/62/277376762.db2.gz DBIVLBVQVFXRIA-GUYCJALGSA-N 1 2 347.440 2.000 20 30 EEEDLO COC(=O)[C@@]1(C)CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000412059735 277376763 /nfs/dbraw/zinc/37/67/63/277376763.db2.gz DBIVLBVQVFXRIA-GUYCJALGSA-N 1 2 347.440 2.000 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCc4cccnc43)CC2)cc1 ZINC000329273729 311662998 /nfs/dbraw/zinc/66/29/98/311662998.db2.gz IEVJNBHYTHWXTN-LJQANCHMSA-N 1 2 346.434 2.327 20 30 EEEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2nnc3ccccn32)c1C#N ZINC000542582947 318132615 /nfs/dbraw/zinc/13/26/15/318132615.db2.gz PRIJXPREZQLOOH-LBPRGKRZSA-N 1 2 335.367 2.238 20 30 EEEDLO CN1C(=O)C[C@H]([NH2+]Cc2nc(C#N)cs2)[C@H]1c1ccc(F)c(F)c1 ZINC000565803994 319215406 /nfs/dbraw/zinc/21/54/06/319215406.db2.gz YTEWYSFEMCCZRA-XJKSGUPXSA-N 1 2 348.378 2.355 20 30 EEEDLO COc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c(F)c1 ZINC000566683062 319311481 /nfs/dbraw/zinc/31/14/81/319311481.db2.gz XJIUMRZOVWRBIY-ZDUSSCGKSA-N 1 2 341.390 2.207 20 30 EEEDLO COc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c(F)c1 ZINC000566683062 319311482 /nfs/dbraw/zinc/31/14/82/319311482.db2.gz XJIUMRZOVWRBIY-ZDUSSCGKSA-N 1 2 341.390 2.207 20 30 EEEDLO COC(=O)[C@H]([NH2+]CCOc1cccc(C#N)c1)[C@H]1CCC[C@@H](OC)C1 ZINC000576878932 320211942 /nfs/dbraw/zinc/21/19/42/320211942.db2.gz IQIKDIZVPVTARF-LZLYRXPVSA-N 1 2 346.427 2.273 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000529844776 448982455 /nfs/dbraw/zinc/98/24/55/448982455.db2.gz LBHXKQWUAIUHDY-GDBMZVCRSA-N 1 2 332.448 2.418 20 30 EEEDLO N#Cc1c[nH]nc1NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000601641039 450134446 /nfs/dbraw/zinc/13/44/46/450134446.db2.gz MFDQQFYGGIHGKZ-AWEZNQCLSA-N 1 2 327.413 2.010 20 30 EEEDLO N#Cc1cccc(NC(=O)C[S@@](=O)Cc2cn3ccccc3[nH+]2)c1 ZINC000083954351 463568836 /nfs/dbraw/zinc/56/88/36/463568836.db2.gz NZGAWEVWXTUQQA-XMMPIXPASA-N 1 2 338.392 2.093 20 30 EEEDLO CCc1cnc(C[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)s1 ZINC000267007271 464903227 /nfs/dbraw/zinc/90/32/27/464903227.db2.gz GAUKNFJPGFRMSF-AWEZNQCLSA-N 1 2 331.441 2.449 20 30 EEEDLO CCc1cnc(C[N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)s1 ZINC000267007271 464903232 /nfs/dbraw/zinc/90/32/32/464903232.db2.gz GAUKNFJPGFRMSF-AWEZNQCLSA-N 1 2 331.441 2.449 20 30 EEEDLO O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328927572 465170623 /nfs/dbraw/zinc/17/06/23/465170623.db2.gz XDYPOISVKIQKMS-KBPBESRZSA-N 1 2 346.362 2.062 20 30 EEEDLO O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328927572 465170626 /nfs/dbraw/zinc/17/06/26/465170626.db2.gz XDYPOISVKIQKMS-KBPBESRZSA-N 1 2 346.362 2.062 20 30 EEEDLO CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c[nH+]1 ZINC000328937115 465173972 /nfs/dbraw/zinc/17/39/72/465173972.db2.gz GDIMQRORTKFLIH-LSDHHAIUSA-N 1 2 345.447 2.393 20 30 EEEDLO Cc1cc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)cc(C#N)n1 ZINC000341476877 465188317 /nfs/dbraw/zinc/18/83/17/465188317.db2.gz VRUUJAAQXONRDK-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3COCCN3C)n2)C1 ZINC000329000316 465199195 /nfs/dbraw/zinc/19/91/95/465199195.db2.gz VPGYPWMDFATGKU-TZMCWYRMSA-N 1 2 338.477 2.294 20 30 EEEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3COCCN3C)n2)C1 ZINC000329000316 465199201 /nfs/dbraw/zinc/19/92/01/465199201.db2.gz VPGYPWMDFATGKU-TZMCWYRMSA-N 1 2 338.477 2.294 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000329144711 465246695 /nfs/dbraw/zinc/24/66/95/465246695.db2.gz NFURHZPJNIUUCB-BFHYXJOUSA-N 1 2 328.478 2.031 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000329144711 465246699 /nfs/dbraw/zinc/24/66/99/465246699.db2.gz NFURHZPJNIUUCB-BFHYXJOUSA-N 1 2 328.478 2.031 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC[C@](C)(O)C1)C2 ZINC000329139506 465245421 /nfs/dbraw/zinc/24/54/21/465245421.db2.gz SMMYUJRIVRHKGZ-UGSOOPFHSA-N 1 2 334.464 2.256 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000355534365 465254938 /nfs/dbraw/zinc/25/49/38/465254938.db2.gz TYMXVXODZTYNFO-FQEVSTJZSA-N 1 2 339.439 2.338 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000337233898 465259319 /nfs/dbraw/zinc/25/93/19/465259319.db2.gz WSIRUWUVXIJNBY-XJKSGUPXSA-N 1 2 341.814 2.157 20 30 EEEDLO C=CC[C@@H](CO)CNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000341864741 465270723 /nfs/dbraw/zinc/27/07/23/465270723.db2.gz CNFHTTKTPFADGS-QGZVFWFLSA-N 1 2 346.475 2.446 20 30 EEEDLO COCC1(C#N)CC[NH+](Cc2nc3oc(C)c(C)c3c(N)n2)CC1 ZINC000341991796 465282537 /nfs/dbraw/zinc/28/25/37/465282537.db2.gz OYZFLYHRUMBDRM-UHFFFAOYSA-N 1 2 329.404 2.174 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@H](C)c2nc(-c3cccnc3)no2)CC1 ZINC000342026144 465286378 /nfs/dbraw/zinc/28/63/78/465286378.db2.gz WEKNSYRGFKXNHO-CYBMUJFWSA-N 1 2 327.388 2.445 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329292189 465290084 /nfs/dbraw/zinc/29/00/84/465290084.db2.gz RBECNISUNRCYRQ-CYBMUJFWSA-N 1 2 335.429 2.269 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1C#N ZINC000329375467 465314053 /nfs/dbraw/zinc/31/40/53/465314053.db2.gz LJUWAADXTGICOG-AAEUAGOBSA-N 1 2 346.456 2.080 20 30 EEEDLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329687905 465406930 /nfs/dbraw/zinc/40/69/30/465406930.db2.gz AUCPSWFWDINUOU-GFCCVEGCSA-N 1 2 335.429 2.132 20 30 EEEDLO CC(C)(C)CCNC(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000088524417 462634658 /nfs/dbraw/zinc/63/46/58/462634658.db2.gz HYFCLCLCUSJHDV-GOSISDBHSA-N 1 2 342.487 2.421 20 30 EEEDLO CCc1nc(C[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)cs1 ZINC000063593846 462657389 /nfs/dbraw/zinc/65/73/89/462657389.db2.gz YDLIZCQRYHNEPK-HNNXBMFYSA-N 1 2 331.441 2.449 20 30 EEEDLO CCc1nc(C[N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)cs1 ZINC000063593846 462657393 /nfs/dbraw/zinc/65/73/93/462657393.db2.gz YDLIZCQRYHNEPK-HNNXBMFYSA-N 1 2 331.441 2.449 20 30 EEEDLO CC(=O)[C@@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C)C(C)C ZINC000154490638 462774115 /nfs/dbraw/zinc/77/41/15/462774115.db2.gz QBUMGTHCHXSGBK-IBGZPJMESA-N 1 2 329.444 2.498 20 30 EEEDLO CC(=O)[C@@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)C(C)C ZINC000154490638 462774120 /nfs/dbraw/zinc/77/41/20/462774120.db2.gz QBUMGTHCHXSGBK-IBGZPJMESA-N 1 2 329.444 2.498 20 30 EEEDLO C#CCn1ccc(CN(CCOC)C(=O)Nc2c(C)cc[nH+]c2C)n1 ZINC000491191425 468318570 /nfs/dbraw/zinc/31/85/70/468318570.db2.gz DFLYNNRLHDIWEC-UHFFFAOYSA-N 1 2 341.415 2.209 20 30 EEEDLO N#Cc1ccc(C(=O)NCC(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)cc1 ZINC000154809073 462810329 /nfs/dbraw/zinc/81/03/29/462810329.db2.gz ZAZFEJRWFIWUQY-UHFFFAOYSA-N 1 2 345.362 2.317 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000015742271 462962137 /nfs/dbraw/zinc/96/21/37/462962137.db2.gz PHCXJCCOEAMKLL-UHFFFAOYSA-N 1 2 330.391 2.388 20 30 EEEDLO Cc1cccc2nc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)cn21 ZINC000051877482 463053032 /nfs/dbraw/zinc/05/30/32/463053032.db2.gz LZESAHFZTQCFQF-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO Cc1cccc2[nH+]c(CN3CCN(c4cc(C#N)ccn4)CC3)cn21 ZINC000051877482 463053034 /nfs/dbraw/zinc/05/30/34/463053034.db2.gz LZESAHFZTQCFQF-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000052070619 463059067 /nfs/dbraw/zinc/05/90/67/463059067.db2.gz PCAIVIQALFZXOJ-UHFFFAOYSA-N 1 2 330.215 2.437 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000052070619 463059072 /nfs/dbraw/zinc/05/90/72/463059072.db2.gz PCAIVIQALFZXOJ-UHFFFAOYSA-N 1 2 330.215 2.437 20 30 EEEDLO N#Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000023375707 463065973 /nfs/dbraw/zinc/06/59/73/463065973.db2.gz PRYFMJVGYRJLPQ-UHFFFAOYSA-N 1 2 340.452 2.376 20 30 EEEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000023607540 463068596 /nfs/dbraw/zinc/06/85/96/463068596.db2.gz AHNFSWKSUVEKIE-NSHDSACASA-N 1 2 342.424 2.409 20 30 EEEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000023607540 463068602 /nfs/dbraw/zinc/06/86/02/463068602.db2.gz AHNFSWKSUVEKIE-NSHDSACASA-N 1 2 342.424 2.409 20 30 EEEDLO C#CCCOc1ccc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000157054507 463093119 /nfs/dbraw/zinc/09/31/19/463093119.db2.gz FULRBDVLKXRFAJ-QGZVFWFLSA-N 1 2 333.453 2.240 20 30 EEEDLO C#CCCOc1ccc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000157054507 463093122 /nfs/dbraw/zinc/09/31/22/463093122.db2.gz FULRBDVLKXRFAJ-QGZVFWFLSA-N 1 2 333.453 2.240 20 30 EEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCc2cccc(C#N)c2)C1 ZINC000136785454 463258405 /nfs/dbraw/zinc/25/84/05/463258405.db2.gz RXIBJDIZTNTTPN-KRWDZBQOSA-N 1 2 337.427 2.456 20 30 EEEDLO N#CC1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CCCC1 ZINC000030229623 463289814 /nfs/dbraw/zinc/28/98/14/463289814.db2.gz VTUFBYBWXZMPRS-QGZVFWFLSA-N 1 2 327.428 2.260 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(NC(=O)C3CC3)CC2)c1C ZINC000030283496 463292942 /nfs/dbraw/zinc/29/29/42/463292942.db2.gz PNJUUBWZJRIWAM-UHFFFAOYSA-N 1 2 343.471 2.464 20 30 EEEDLO Cc1cc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)c[nH+]1 ZINC000590824478 468349617 /nfs/dbraw/zinc/34/96/17/468349617.db2.gz WRWUEPWZBAYIEO-HNNXBMFYSA-N 1 2 337.383 2.072 20 30 EEEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000081523006 463453619 /nfs/dbraw/zinc/45/36/19/463453619.db2.gz AJUSCYWWKZPHGZ-VQTJNVASSA-N 1 2 346.434 2.401 20 30 EEEDLO N#Cc1csc(C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)c1 ZINC000124724472 463457472 /nfs/dbraw/zinc/45/74/72/463457472.db2.gz VBTWNQXSYQBDRW-UHFFFAOYSA-N 1 2 340.452 2.376 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000071909014 463467226 /nfs/dbraw/zinc/46/72/26/463467226.db2.gz JIGDDVZZPLEKIX-RBUKOAKNSA-N 1 2 340.471 2.348 20 30 EEEDLO Cc1cccc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1C#N ZINC000151281619 463506286 /nfs/dbraw/zinc/50/62/86/463506286.db2.gz ATWCCPLUMFYOFS-OAHLLOKOSA-N 1 2 343.408 2.104 20 30 EEEDLO Cc1ccc2[nH+]c(CNC(=O)N3CC[C@H]([C@@H]4CCOC4)C3)cn2c1 ZINC000329738771 465421042 /nfs/dbraw/zinc/42/10/42/465421042.db2.gz MYEHBEDYNDPGPO-LSDHHAIUSA-N 1 2 328.416 2.415 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000042531937 463571869 /nfs/dbraw/zinc/57/18/69/463571869.db2.gz NHAVKWMOOAHZLZ-MRXNPFEDSA-N 1 2 333.501 2.455 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2ccsc2)CC1 ZINC000042531937 463571872 /nfs/dbraw/zinc/57/18/72/463571872.db2.gz NHAVKWMOOAHZLZ-MRXNPFEDSA-N 1 2 333.501 2.455 20 30 EEEDLO COC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000177457586 463709767 /nfs/dbraw/zinc/70/97/67/463709767.db2.gz GCBKSRKUMWZMMG-MRXNPFEDSA-N 1 2 335.791 2.035 20 30 EEEDLO COC(=O)[C@]1(C)CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000177457586 463709773 /nfs/dbraw/zinc/70/97/73/463709773.db2.gz GCBKSRKUMWZMMG-MRXNPFEDSA-N 1 2 335.791 2.035 20 30 EEEDLO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193772907 463738762 /nfs/dbraw/zinc/73/87/62/463738762.db2.gz MZMLQTNTSVYFLX-MRXNPFEDSA-N 1 2 349.438 2.411 20 30 EEEDLO C#CCOc1ccccc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000286992912 463766210 /nfs/dbraw/zinc/76/62/10/463766210.db2.gz CRLQAYABDMUXRJ-JKSUJKDBSA-N 1 2 343.427 2.026 20 30 EEEDLO C#CCOc1ccccc1CNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000268966294 463830338 /nfs/dbraw/zinc/83/03/38/463830338.db2.gz FBQCYZFBKWLLSN-UHFFFAOYSA-N 1 2 326.400 2.127 20 30 EEEDLO C#CC[C@]1(C(=O)NCc2[nH]c[nH+]c2C)CCCN1C(=O)OC(C)(C)C ZINC000283413714 463877407 /nfs/dbraw/zinc/87/74/07/463877407.db2.gz LTOWFOPSVIRTQN-GOSISDBHSA-N 1 2 346.431 2.127 20 30 EEEDLO C=CCSCCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000194562588 463884642 /nfs/dbraw/zinc/88/46/42/463884642.db2.gz HHAKSTQOLJHVMY-QGZVFWFLSA-N 1 2 349.500 2.278 20 30 EEEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000590959243 468383664 /nfs/dbraw/zinc/38/36/64/468383664.db2.gz NOZAFEJCJFQGPT-ZQIUZPCESA-N 1 2 340.427 2.422 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186080781 463933724 /nfs/dbraw/zinc/93/37/24/463933724.db2.gz LUAGNLJZZNTKKD-FUHWJXTLSA-N 1 2 329.444 2.081 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186080781 463933729 /nfs/dbraw/zinc/93/37/29/463933729.db2.gz LUAGNLJZZNTKKD-FUHWJXTLSA-N 1 2 329.444 2.081 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1OC ZINC000194908485 463955649 /nfs/dbraw/zinc/95/56/49/463955649.db2.gz RUTOPHRBJDXZMA-UHFFFAOYSA-N 1 2 348.443 2.101 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1OC ZINC000194908485 463955655 /nfs/dbraw/zinc/95/56/55/463955655.db2.gz RUTOPHRBJDXZMA-UHFFFAOYSA-N 1 2 348.443 2.101 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2CCc2ccccc2)CC1 ZINC000283670087 463967308 /nfs/dbraw/zinc/96/73/08/463967308.db2.gz PGXRTNKJJPIRLG-UHFFFAOYSA-N 1 2 335.455 2.153 20 30 EEEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000178804329 463979103 /nfs/dbraw/zinc/97/91/03/463979103.db2.gz LVAVMBJOVXQAFR-DEOSSOPVSA-N 1 2 341.436 2.366 20 30 EEEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000178804329 463979109 /nfs/dbraw/zinc/97/91/09/463979109.db2.gz LVAVMBJOVXQAFR-DEOSSOPVSA-N 1 2 341.436 2.366 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278889906 464006597 /nfs/dbraw/zinc/00/65/97/464006597.db2.gz QFULFOUBPXTKBG-KSSFIOAISA-N 1 2 348.422 2.118 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278889906 464006608 /nfs/dbraw/zinc/00/66/08/464006608.db2.gz QFULFOUBPXTKBG-KSSFIOAISA-N 1 2 348.422 2.118 20 30 EEEDLO C#CC[N@@H+](Cc1nn2c(nc(C)cc2=O)s1)Cc1ccc(F)cc1 ZINC000195194836 464015152 /nfs/dbraw/zinc/01/51/52/464015152.db2.gz JTBNZGOKNWINMO-UHFFFAOYSA-N 1 2 342.399 2.234 20 30 EEEDLO C#CC[N@H+](Cc1nn2c(nc(C)cc2=O)s1)Cc1ccc(F)cc1 ZINC000195194836 464015156 /nfs/dbraw/zinc/01/51/56/464015156.db2.gz JTBNZGOKNWINMO-UHFFFAOYSA-N 1 2 342.399 2.234 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000292291657 464187465 /nfs/dbraw/zinc/18/74/65/464187465.db2.gz MFSXSAQTJMRGDF-BEFAXECRSA-N 1 2 346.450 2.391 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000292291657 464187470 /nfs/dbraw/zinc/18/74/70/464187470.db2.gz MFSXSAQTJMRGDF-BEFAXECRSA-N 1 2 346.450 2.391 20 30 EEEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCO[C@@H](C#N)C3)n2)C1 ZINC000264322393 464294487 /nfs/dbraw/zinc/29/44/87/464294487.db2.gz BNFUCDZDYKVVFD-JSGCOSHPSA-N 1 2 349.460 2.131 20 30 EEEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCO[C@@H](C#N)C3)n2)C1 ZINC000264322393 464294492 /nfs/dbraw/zinc/29/44/92/464294492.db2.gz BNFUCDZDYKVVFD-JSGCOSHPSA-N 1 2 349.460 2.131 20 30 EEEDLO C[C@@H](NC(=O)c1ccc(C#N)c(O)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000188565914 464313205 /nfs/dbraw/zinc/31/32/05/464313205.db2.gz NJWWRAWDDZIPPT-CQSZACIVSA-N 1 2 343.427 2.027 20 30 EEEDLO CNS(=O)(=O)c1cccc2c1CC[N@H+](Cc1cccc(C#N)c1)C2 ZINC000284814698 464351748 /nfs/dbraw/zinc/35/17/48/464351748.db2.gz PLDKESJRAGJZDW-UHFFFAOYSA-N 1 2 341.436 2.025 20 30 EEEDLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](Cc1cccc(C#N)c1)C2 ZINC000284814698 464351751 /nfs/dbraw/zinc/35/17/51/464351751.db2.gz PLDKESJRAGJZDW-UHFFFAOYSA-N 1 2 341.436 2.025 20 30 EEEDLO N#Cc1ccc(OC2CCC(NC(=O)CCc3c[nH+]c[nH]3)CC2)nc1 ZINC000281154518 464352250 /nfs/dbraw/zinc/35/22/50/464352250.db2.gz KCKMLVYTNWYYON-UHFFFAOYSA-N 1 2 339.399 2.115 20 30 EEEDLO N#Cc1ccc(OC2CCC(NC(=O)CCc3c[nH]c[nH+]3)CC2)nc1 ZINC000281154518 464352261 /nfs/dbraw/zinc/35/22/61/464352261.db2.gz KCKMLVYTNWYYON-UHFFFAOYSA-N 1 2 339.399 2.115 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(SC)c2)C1=O ZINC000281263703 464392448 /nfs/dbraw/zinc/39/24/48/464392448.db2.gz HPKQZGZGZUPJDM-HNNXBMFYSA-N 1 2 333.457 2.066 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(SC)c2)C1=O ZINC000281263703 464392451 /nfs/dbraw/zinc/39/24/51/464392451.db2.gz HPKQZGZGZUPJDM-HNNXBMFYSA-N 1 2 333.457 2.066 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000293232312 464394628 /nfs/dbraw/zinc/39/46/28/464394628.db2.gz SICFHCINOURKOA-UHFFFAOYSA-N 1 2 325.412 2.240 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000293232312 464394631 /nfs/dbraw/zinc/39/46/31/464394631.db2.gz SICFHCINOURKOA-UHFFFAOYSA-N 1 2 325.412 2.240 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181312470 464470333 /nfs/dbraw/zinc/47/03/33/464470333.db2.gz VDCTVVQQEUFOQD-OCCSQVGLSA-N 1 2 343.349 2.177 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181312470 464470339 /nfs/dbraw/zinc/47/03/39/464470339.db2.gz VDCTVVQQEUFOQD-OCCSQVGLSA-N 1 2 343.349 2.177 20 30 EEEDLO Cc1cc(=O)n2nc(C[NH2+]C3(c4cccc(C#N)c4)CC3)sc2n1 ZINC000568892563 468403501 /nfs/dbraw/zinc/40/35/01/468403501.db2.gz LMKGVXUJRCKKIK-UHFFFAOYSA-N 1 2 337.408 2.110 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cc(F)ccc2F)C1=O ZINC000281511793 464485280 /nfs/dbraw/zinc/48/52/80/464485280.db2.gz YUIGDKHAGCQIDE-NHYWBVRUSA-N 1 2 337.370 2.011 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2cc(F)ccc2F)C1=O ZINC000281511793 464485284 /nfs/dbraw/zinc/48/52/84/464485284.db2.gz YUIGDKHAGCQIDE-NHYWBVRUSA-N 1 2 337.370 2.011 20 30 EEEDLO C[C@H]([C@H](C)NC(=O)N[C@H](CCC#N)c1ccccc1)[NH+]1CCOCC1 ZINC000245940153 464528797 /nfs/dbraw/zinc/52/87/97/464528797.db2.gz MEGRPNBTBFPVLF-LZLYRXPVSA-N 1 2 344.459 2.440 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000281770473 464578412 /nfs/dbraw/zinc/57/84/12/464578412.db2.gz JNXHMXVFANQPMZ-PBHICJAKSA-N 1 2 328.416 2.423 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](Cc2ccccc2OC)C[C@@H]2CCCO2)C1=O ZINC000281985381 464658269 /nfs/dbraw/zinc/65/82/69/464658269.db2.gz MIVYJOHHQTYJFX-ZWKOTPCHSA-N 1 2 344.455 2.463 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](Cc2ccccc2OC)C[C@@H]2CCCO2)C1=O ZINC000281985381 464658272 /nfs/dbraw/zinc/65/82/72/464658272.db2.gz MIVYJOHHQTYJFX-ZWKOTPCHSA-N 1 2 344.455 2.463 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248790096 464802887 /nfs/dbraw/zinc/80/28/87/464802887.db2.gz XWRNYJJNIPISBV-MOPGFXCFSA-N 1 2 327.428 2.172 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248790096 464802888 /nfs/dbraw/zinc/80/28/88/464802888.db2.gz XWRNYJJNIPISBV-MOPGFXCFSA-N 1 2 327.428 2.172 20 30 EEEDLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000191630799 464823804 /nfs/dbraw/zinc/82/38/04/464823804.db2.gz HDZKMZQDHSFIOB-LIRRHRJNSA-N 1 2 344.434 2.145 20 30 EEEDLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000191630799 464823811 /nfs/dbraw/zinc/82/38/11/464823811.db2.gz HDZKMZQDHSFIOB-LIRRHRJNSA-N 1 2 344.434 2.145 20 30 EEEDLO COc1cc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)ccc1C#N ZINC000282522651 464850187 /nfs/dbraw/zinc/85/01/87/464850187.db2.gz ZTIAUNNROCGQFL-KRWDZBQOSA-N 1 2 339.395 2.441 20 30 EEEDLO COc1cc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)ccc1C#N ZINC000282522651 464850194 /nfs/dbraw/zinc/85/01/94/464850194.db2.gz ZTIAUNNROCGQFL-KRWDZBQOSA-N 1 2 339.395 2.441 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192068744 464859725 /nfs/dbraw/zinc/85/97/25/464859725.db2.gz AKGJVNCESLCXLM-CYBMUJFWSA-N 1 2 336.374 2.070 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192068744 464859730 /nfs/dbraw/zinc/85/97/30/464859730.db2.gz AKGJVNCESLCXLM-CYBMUJFWSA-N 1 2 336.374 2.070 20 30 EEEDLO C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)CCO1 ZINC000329991259 465499671 /nfs/dbraw/zinc/49/96/71/465499671.db2.gz WUYZBCAOQPSFAQ-OJLVUWQFSA-N 1 2 338.427 2.104 20 30 EEEDLO C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)CCO1 ZINC000329991259 465499677 /nfs/dbraw/zinc/49/96/77/465499677.db2.gz WUYZBCAOQPSFAQ-OJLVUWQFSA-N 1 2 338.427 2.104 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCOC[C@@H]3C3CC3)C2=O)cc1 ZINC000192712633 464981524 /nfs/dbraw/zinc/98/15/24/464981524.db2.gz FCVMYHMPMODVCQ-ZWKOTPCHSA-N 1 2 325.412 2.164 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCOC[C@@H]3C3CC3)C2=O)cc1 ZINC000192712633 464981531 /nfs/dbraw/zinc/98/15/31/464981531.db2.gz FCVMYHMPMODVCQ-ZWKOTPCHSA-N 1 2 325.412 2.164 20 30 EEEDLO CO/N=C/C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000282925002 465004181 /nfs/dbraw/zinc/00/41/81/465004181.db2.gz FNWPSVOEBHWZAD-UZPSYVQNSA-N 1 2 327.787 2.364 20 30 EEEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000342500613 465326066 /nfs/dbraw/zinc/32/60/66/465326066.db2.gz WEKXCKABSWWJMJ-UHFFFAOYSA-N 1 2 348.491 2.480 20 30 EEEDLO Cn1c2ccccc2[nH+]c1Cn1cc(Br)cc(C#N)c1=O ZINC000351772522 465351627 /nfs/dbraw/zinc/35/16/27/465351627.db2.gz KFTCBHKXYQFUIF-UHFFFAOYSA-N 1 2 343.184 2.417 20 30 EEEDLO O=C(Cn1cc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cn1)NC1CC1 ZINC000329506518 465357850 /nfs/dbraw/zinc/35/78/50/465357850.db2.gz ZRJKBYRJBUFKMP-LLVKDONJSA-N 1 2 328.376 2.049 20 30 EEEDLO O=C(Cn1cc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cn1)NC1CC1 ZINC000329506519 465358104 /nfs/dbraw/zinc/35/81/04/465358104.db2.gz ZRJKBYRJBUFKMP-NSHDSACASA-N 1 2 328.376 2.049 20 30 EEEDLO Cn1nc2c(c1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)CCCC2 ZINC000329574761 465376593 /nfs/dbraw/zinc/37/65/93/465376593.db2.gz AWNJVLIBZSODMI-SFHVURJKSA-N 1 2 346.475 2.399 20 30 EEEDLO Cn1nc2c(c1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)CCCC2 ZINC000329574761 465376598 /nfs/dbraw/zinc/37/65/98/465376598.db2.gz AWNJVLIBZSODMI-SFHVURJKSA-N 1 2 346.475 2.399 20 30 EEEDLO CC[C@@H]1CC[C@H](C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)O1 ZINC000329623560 465389904 /nfs/dbraw/zinc/38/99/04/465389904.db2.gz ABASCOMEJKLRCL-IIAWOOMASA-N 1 2 328.478 2.108 20 30 EEEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000337532555 465418757 /nfs/dbraw/zinc/41/87/57/465418757.db2.gz FREPVDYECQYSGG-UHFFFAOYSA-N 1 2 337.427 2.475 20 30 EEEDLO Cc1cc([C@@H]2CCCN2C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)on1 ZINC000329927330 465476970 /nfs/dbraw/zinc/47/69/70/465476970.db2.gz WWFOYDZSGUWUTN-KBPBESRZSA-N 1 2 329.404 2.493 20 30 EEEDLO Cc1ccc(NC(=O)CN2CCN(C)[C@H](c3[nH+]ccn3C)C2)cc1F ZINC000329960321 465487945 /nfs/dbraw/zinc/48/79/45/465487945.db2.gz ROBFEVWKTPUOHB-INIZCTEOSA-N 1 2 345.422 2.444 20 30 EEEDLO N#CC1(CS(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCCCC1 ZINC000330019407 465508570 /nfs/dbraw/zinc/50/85/70/465508570.db2.gz UZTQJXGDTHXBSV-MRXNPFEDSA-N 1 2 349.456 2.339 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC([O-])=[NH+][C@@H]1CCCC[C@H]1O)C2 ZINC000330161158 465554789 /nfs/dbraw/zinc/55/47/89/465554789.db2.gz SSUJIKACKZXOPS-MGPQQGTHSA-N 1 2 334.464 2.303 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N[C@@H]1CCCC[C@H]1O)C2 ZINC000330161158 465554790 /nfs/dbraw/zinc/55/47/90/465554790.db2.gz SSUJIKACKZXOPS-MGPQQGTHSA-N 1 2 334.464 2.303 20 30 EEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000330287226 465600008 /nfs/dbraw/zinc/60/00/08/465600008.db2.gz BCZCMUCAZNKDIQ-UTLUCORTSA-N 1 2 330.310 2.452 20 30 EEEDLO Cc1ncc(C[NH+]2CCN(C(=O)NCC3(CC#N)CC3)CC2)s1 ZINC000330304059 465606053 /nfs/dbraw/zinc/60/60/53/465606053.db2.gz PRRNHDUXRHHJEV-UHFFFAOYSA-N 1 2 333.461 2.177 20 30 EEEDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cc2n(n1)CCCO2 ZINC000330344907 465622381 /nfs/dbraw/zinc/62/23/81/465622381.db2.gz DMMXGAGKSKGLJK-UHFFFAOYSA-N 1 2 327.388 2.166 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)Nc2cccc(F)c2F)CCN1C ZINC000330342637 465622571 /nfs/dbraw/zinc/62/25/71/465622571.db2.gz BDAGNFFDANOFQB-ZDUSSCGKSA-N 1 2 335.358 2.233 20 30 EEEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[NH2+][C@@H](CC)CC#N ZINC000569136393 468445108 /nfs/dbraw/zinc/44/51/08/468445108.db2.gz AMYWRQVYAPDDIG-ZBFHGGJFSA-N 1 2 344.459 2.316 20 30 EEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC(=O)NC(=O)NCC(C)C ZINC000330451548 465665069 /nfs/dbraw/zinc/66/50/69/465665069.db2.gz KFARZKIOMCKQTG-AWEZNQCLSA-N 1 2 335.452 2.116 20 30 EEEDLO C=C(C)COc1cc(C[N@@H+]2C[C@@H](OC)C[C@H]2C(=O)OC)ccc1OC ZINC000362377407 465692326 /nfs/dbraw/zinc/69/23/26/465692326.db2.gz XRTHIHODQARCRG-HOTGVXAUSA-N 1 2 349.427 2.412 20 30 EEEDLO C=C(C)COc1cc(C[N@H+]2C[C@@H](OC)C[C@H]2C(=O)OC)ccc1OC ZINC000362377407 465692330 /nfs/dbraw/zinc/69/23/30/465692330.db2.gz XRTHIHODQARCRG-HOTGVXAUSA-N 1 2 349.427 2.412 20 30 EEEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(OC)cc1OC ZINC000299428087 465744243 /nfs/dbraw/zinc/74/42/43/465744243.db2.gz UKBADOYFOLIUJX-IBGZPJMESA-N 1 2 345.443 2.334 20 30 EEEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(OC)cc1OC ZINC000299428087 465744254 /nfs/dbraw/zinc/74/42/54/465744254.db2.gz UKBADOYFOLIUJX-IBGZPJMESA-N 1 2 345.443 2.334 20 30 EEEDLO CC[C@H](C)n1nc(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1C ZINC000330682448 465759512 /nfs/dbraw/zinc/75/95/12/465759512.db2.gz HOUVOFOXTIYRFD-CFVMTHIKSA-N 1 2 337.468 2.598 20 30 EEEDLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000331291425 466016507 /nfs/dbraw/zinc/01/65/07/466016507.db2.gz PIZAJQKWNBSLON-NWDGAFQWSA-N 1 2 339.823 2.232 20 30 EEEDLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000331291425 466016512 /nfs/dbraw/zinc/01/65/12/466016512.db2.gz PIZAJQKWNBSLON-NWDGAFQWSA-N 1 2 339.823 2.232 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)CC(C)(C)CC#N ZINC000331333779 466036372 /nfs/dbraw/zinc/03/63/72/466036372.db2.gz PNLVQNFVEXAAEG-MRXNPFEDSA-N 1 2 349.500 2.462 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)CC(C)(C)CC#N ZINC000331333779 466036377 /nfs/dbraw/zinc/03/63/77/466036377.db2.gz PNLVQNFVEXAAEG-MRXNPFEDSA-N 1 2 349.500 2.462 20 30 EEEDLO Cc1ccc2c(c1)C[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C2 ZINC000361593254 466129092 /nfs/dbraw/zinc/12/90/92/466129092.db2.gz HBFCXOSRNZCCLW-LJQANCHMSA-N 1 2 340.471 2.003 20 30 EEEDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C2 ZINC000361593254 466129096 /nfs/dbraw/zinc/12/90/96/466129096.db2.gz HBFCXOSRNZCCLW-LJQANCHMSA-N 1 2 340.471 2.003 20 30 EEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)CCCCCC)CC1 ZINC000363001400 466170427 /nfs/dbraw/zinc/17/04/27/466170427.db2.gz TZUGICAVLLWIQT-GOSISDBHSA-N 1 2 349.519 2.267 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)CCCCCC)CC1 ZINC000363001400 466170436 /nfs/dbraw/zinc/17/04/36/466170436.db2.gz TZUGICAVLLWIQT-GOSISDBHSA-N 1 2 349.519 2.267 20 30 EEEDLO COc1cc(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)ccc1C#N ZINC000367243306 466212532 /nfs/dbraw/zinc/21/25/32/466212532.db2.gz JALZFENPXLULLO-HNNXBMFYSA-N 1 2 328.393 2.185 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347337256 466577189 /nfs/dbraw/zinc/57/71/89/466577189.db2.gz ASRWHSCTRITZGC-CVEARBPZSA-N 1 2 347.484 2.249 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347337256 466577197 /nfs/dbraw/zinc/57/71/97/466577197.db2.gz ASRWHSCTRITZGC-CVEARBPZSA-N 1 2 347.484 2.249 20 30 EEEDLO C=CCCCCCN(C)C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000410646178 466722558 /nfs/dbraw/zinc/72/25/58/466722558.db2.gz YEVFQUZJURCHPC-QGZVFWFLSA-N 1 2 345.443 2.266 20 30 EEEDLO N#C[C@H]1N(C(=O)Cc2cn3ccccc3[nH+]2)CCC[C@]12CCCCO2 ZINC000373376664 466783669 /nfs/dbraw/zinc/78/36/69/466783669.db2.gz KCDOGGWWCDVXIB-VQIMIIECSA-N 1 2 338.411 2.331 20 30 EEEDLO CCO[C@@H](C)c1noc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000370730021 466982586 /nfs/dbraw/zinc/98/25/86/466982586.db2.gz LRVLKPYEKMMIDB-JSGCOSHPSA-N 1 2 343.387 2.087 20 30 EEEDLO CCO[C@@H](C)c1noc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000370730021 466982592 /nfs/dbraw/zinc/98/25/92/466982592.db2.gz LRVLKPYEKMMIDB-JSGCOSHPSA-N 1 2 343.387 2.087 20 30 EEEDLO CCO[C@@H](C)c1noc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000370730020 466982857 /nfs/dbraw/zinc/98/28/57/466982857.db2.gz LRVLKPYEKMMIDB-GXTWGEPZSA-N 1 2 343.387 2.087 20 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/nfs/dbraw/zinc/18/54/98/467185498.db2.gz PMHPRMYTWSAUCE-UHFFFAOYSA-N 1 2 333.804 2.303 20 30 EEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000413243637 467195982 /nfs/dbraw/zinc/19/59/82/467195982.db2.gz DUMRMQYNKUBUSP-WMZOPIPTSA-N 1 2 331.460 2.194 20 30 EEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000413243637 467195985 /nfs/dbraw/zinc/19/59/85/467195985.db2.gz DUMRMQYNKUBUSP-WMZOPIPTSA-N 1 2 331.460 2.194 20 30 EEEDLO CCO[C@@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C ZINC000451547042 467259648 /nfs/dbraw/zinc/25/96/48/467259648.db2.gz SVZRUOBAUONATR-WMLDXEAASA-N 1 2 336.457 2.079 20 30 EEEDLO CCO[C@@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C ZINC000451547042 467259652 /nfs/dbraw/zinc/25/96/52/467259652.db2.gz SVZRUOBAUONATR-WMLDXEAASA-N 1 2 336.457 2.079 20 30 EEEDLO CN(C)C(=O)N1CC[N@H+](Cc2cn3ccccc3c2C#N)C(C)(C)C1 ZINC000408133859 467515784 /nfs/dbraw/zinc/51/57/84/467515784.db2.gz QYSDAOJRPABSGX-UHFFFAOYSA-N 1 2 339.443 2.389 20 30 EEEDLO CN(C)C(=O)N1CC[N@@H+](Cc2cn3ccccc3c2C#N)C(C)(C)C1 ZINC000408133859 467515787 /nfs/dbraw/zinc/51/57/87/467515787.db2.gz QYSDAOJRPABSGX-UHFFFAOYSA-N 1 2 339.443 2.389 20 30 EEEDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000439438301 467567270 /nfs/dbraw/zinc/56/72/70/467567270.db2.gz CJIUNXGVXLTCQB-CQSZACIVSA-N 1 2 341.864 2.115 20 30 EEEDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439438301 467567272 /nfs/dbraw/zinc/56/72/72/467567272.db2.gz CJIUNXGVXLTCQB-CQSZACIVSA-N 1 2 341.864 2.115 20 30 EEEDLO Cc1ccc([C@H](CNC(=O)[C@]2(C#N)C[C@@H]2C)[NH+]2CCOCC2)cc1 ZINC000448754891 467600286 /nfs/dbraw/zinc/60/02/86/467600286.db2.gz XTWHSNJFBBFKHB-IEZWGBDMSA-N 1 2 327.428 2.034 20 30 EEEDLO COc1cc(F)cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000449011122 467611914 /nfs/dbraw/zinc/61/19/14/467611914.db2.gz YBUVUFHNWGJZHN-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC2(C#N)CCC2)c1C ZINC000527299622 467659096 /nfs/dbraw/zinc/65/90/96/467659096.db2.gz JTMNIEFIYZLPHM-HNNXBMFYSA-N 1 2 342.443 2.125 20 30 EEEDLO Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)C(=O)NC2(C#N)CCC2)c1C ZINC000527299622 467659100 /nfs/dbraw/zinc/65/91/00/467659100.db2.gz JTMNIEFIYZLPHM-HNNXBMFYSA-N 1 2 342.443 2.125 20 30 EEEDLO CC(C)C[C@@H]1COCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528383548 467681933 /nfs/dbraw/zinc/68/19/33/467681933.db2.gz SAJKOMVSKMKPKE-MRXNPFEDSA-N 1 2 340.423 2.033 20 30 EEEDLO CC(C)C[C@@H]1COCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528383548 467681937 /nfs/dbraw/zinc/68/19/37/467681937.db2.gz SAJKOMVSKMKPKE-MRXNPFEDSA-N 1 2 340.423 2.033 20 30 EEEDLO C=CCC1(C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)CCCC1 ZINC000450091007 467775172 /nfs/dbraw/zinc/77/51/72/467775172.db2.gz WBDUFBSQTRREGM-KRWDZBQOSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CC[N@H+](Cc1cnns1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000450389629 467841245 /nfs/dbraw/zinc/84/12/45/467841245.db2.gz JPKRBBYGZLDCKT-LBPRGKRZSA-N 1 2 327.417 2.263 20 30 EEEDLO C=CC[N@@H+](Cc1cnns1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000450389629 467841248 /nfs/dbraw/zinc/84/12/48/467841248.db2.gz JPKRBBYGZLDCKT-LBPRGKRZSA-N 1 2 327.417 2.263 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](Cc3ncc(C#N)cn3)C2)C1 ZINC000497132777 467850773 /nfs/dbraw/zinc/85/07/73/467850773.db2.gz OIVBTSLEDUDVEC-SFHVURJKSA-N 1 2 343.431 2.181 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](Cc3ncc(C#N)cn3)C2)C1 ZINC000497132777 467850778 /nfs/dbraw/zinc/85/07/78/467850778.db2.gz OIVBTSLEDUDVEC-SFHVURJKSA-N 1 2 343.431 2.181 20 30 EEEDLO CC#CCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000458604920 467865259 /nfs/dbraw/zinc/86/52/59/467865259.db2.gz JGHNOFNHAZFZSP-IAGOWNOFSA-N 1 2 349.862 2.376 20 30 EEEDLO CC#CCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000458604920 467865262 /nfs/dbraw/zinc/86/52/62/467865262.db2.gz JGHNOFNHAZFZSP-IAGOWNOFSA-N 1 2 349.862 2.376 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C\c3cncs3)CC2)cc1 ZINC000493638595 467953749 /nfs/dbraw/zinc/95/37/49/467953749.db2.gz AVOUJUHOOLQZOQ-WAYWQWQTSA-N 1 2 338.436 2.372 20 30 EEEDLO Cc1cc(C)n(Cc2cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2)n1 ZINC000515229322 467981017 /nfs/dbraw/zinc/98/10/17/467981017.db2.gz CHDFEVUYUVKWGD-IBGZPJMESA-N 1 2 339.443 2.122 20 30 EEEDLO CCN1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)C[C@@H]1c1[nH]cc[nH+]1 ZINC000516147668 468014770 /nfs/dbraw/zinc/01/47/70/468014770.db2.gz WUTQQLHZQHDAMY-KDOFPFPSSA-N 1 2 327.432 2.089 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000494215972 468037425 /nfs/dbraw/zinc/03/74/25/468037425.db2.gz LNURSBOPADCCPA-HNNXBMFYSA-N 1 2 335.473 2.309 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000494215972 468037427 /nfs/dbraw/zinc/03/74/27/468037427.db2.gz LNURSBOPADCCPA-HNNXBMFYSA-N 1 2 335.473 2.309 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000531841456 468080420 /nfs/dbraw/zinc/08/04/20/468080420.db2.gz AEUNHHRNDHIEFV-QWHCGFSZSA-N 1 2 335.370 2.038 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000531841456 468080421 /nfs/dbraw/zinc/08/04/21/468080421.db2.gz AEUNHHRNDHIEFV-QWHCGFSZSA-N 1 2 335.370 2.038 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000518306839 468111229 /nfs/dbraw/zinc/11/12/29/468111229.db2.gz UPZFFLBUKFWNIH-UHFFFAOYSA-N 1 2 330.428 2.314 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1cccc(Br)c1 ZINC000577956008 468194655 /nfs/dbraw/zinc/19/46/55/468194655.db2.gz OLOPSTVQROUDOC-HNNXBMFYSA-N 1 2 338.249 2.342 20 30 EEEDLO C[N@H+](Cc1ccc(F)cc1C#N)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000496378197 468205668 /nfs/dbraw/zinc/20/56/68/468205668.db2.gz MMTZAAFBMNPUQH-HOTGVXAUSA-N 1 2 349.406 2.109 20 30 EEEDLO C[N@@H+](Cc1ccc(F)cc1C#N)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000496378197 468205670 /nfs/dbraw/zinc/20/56/70/468205670.db2.gz MMTZAAFBMNPUQH-HOTGVXAUSA-N 1 2 349.406 2.109 20 30 EEEDLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148460 468638395 /nfs/dbraw/zinc/63/83/95/468638395.db2.gz YSVJWJOQFDOMGB-AUUYWEPGSA-N 1 2 329.444 2.489 20 30 EEEDLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148460 468638396 /nfs/dbraw/zinc/63/83/96/468638396.db2.gz YSVJWJOQFDOMGB-AUUYWEPGSA-N 1 2 329.444 2.489 20 30 EEEDLO N#CC[C@H]1CCCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000597908856 468708202 /nfs/dbraw/zinc/70/82/02/468708202.db2.gz CWXHUONQHXFSEM-MRXNPFEDSA-N 1 2 327.428 2.285 20 30 EEEDLO Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000570899353 468708992 /nfs/dbraw/zinc/70/89/92/468708992.db2.gz VADHNOALQCCDSL-GOSISDBHSA-N 1 2 333.480 2.049 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c(Br)c1O ZINC000592522156 468719487 /nfs/dbraw/zinc/71/94/87/468719487.db2.gz ILLRPJWTNGLSRS-AWEZNQCLSA-N 1 2 341.205 2.014 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)c(Br)c1O ZINC000592522156 468719492 /nfs/dbraw/zinc/71/94/92/468719492.db2.gz ILLRPJWTNGLSRS-AWEZNQCLSA-N 1 2 341.205 2.014 20 30 EEEDLO Cc1noc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1[N+](=O)[O-] ZINC000595286945 468800191 /nfs/dbraw/zinc/80/01/91/468800191.db2.gz NZFIZTNNYKQYFZ-UHFFFAOYSA-N 1 2 341.371 2.081 20 30 EEEDLO N#Cc1ccc(CCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000595571076 468905922 /nfs/dbraw/zinc/90/59/22/468905922.db2.gz UBNFTBQFXPFPST-KRWDZBQOSA-N 1 2 335.411 2.074 20 30 EEEDLO CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595613469 468921533 /nfs/dbraw/zinc/92/15/33/468921533.db2.gz DRMWVCVQTOJUJP-CQSZACIVSA-N 1 2 329.400 2.427 20 30 EEEDLO CCOC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595613469 468921538 /nfs/dbraw/zinc/92/15/38/468921538.db2.gz DRMWVCVQTOJUJP-CQSZACIVSA-N 1 2 329.400 2.427 20 30 EEEDLO COC(=O)c1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000595617466 468925039 /nfs/dbraw/zinc/92/50/39/468925039.db2.gz ZWPMUJQWZBLUTI-TZMCWYRMSA-N 1 2 347.440 2.266 20 30 EEEDLO COC(=O)c1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000595617466 468925041 /nfs/dbraw/zinc/92/50/41/468925041.db2.gz ZWPMUJQWZBLUTI-TZMCWYRMSA-N 1 2 347.440 2.266 20 30 EEEDLO N#Cc1cnn2cc(CNc3ccc(N4CCCCC4)c[nH+]3)cnc12 ZINC000572426671 468931608 /nfs/dbraw/zinc/93/16/08/468931608.db2.gz KFLLIVJHFWSMRZ-UHFFFAOYSA-N 1 2 333.399 2.598 20 30 EEEDLO C[C@H]1[C@H](C)[N@H+](Cc2ccc(C#N)cn2)CCN1Cc1ccc(C#N)cn1 ZINC000595888235 469064460 /nfs/dbraw/zinc/06/44/60/469064460.db2.gz WQOMXLPOHMWLEN-HOTGVXAUSA-N 1 2 346.438 2.315 20 30 EEEDLO C[C@H]1[C@H](C)[N@@H+](Cc2ccc(C#N)cn2)CCN1Cc1ccc(C#N)cn1 ZINC000595888235 469064467 /nfs/dbraw/zinc/06/44/67/469064467.db2.gz WQOMXLPOHMWLEN-HOTGVXAUSA-N 1 2 346.438 2.315 20 30 EEEDLO Cc1cccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1C#N ZINC000611018863 469141310 /nfs/dbraw/zinc/14/13/10/469141310.db2.gz YMDGMNZHUFGGIZ-CQSZACIVSA-N 1 2 330.413 2.089 20 30 EEEDLO CC(C)CCN(CCC(C)C)C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611174015 469181122 /nfs/dbraw/zinc/18/11/22/469181122.db2.gz BRQUUTNMGPTMOE-UHFFFAOYSA-N 1 2 336.524 2.438 20 30 EEEDLO N#CCCN1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000611258592 469211229 /nfs/dbraw/zinc/21/12/29/469211229.db2.gz BPQNPKBGNXOYAD-UHFFFAOYSA-N 1 2 338.249 2.359 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000603013760 469221572 /nfs/dbraw/zinc/22/15/72/469221572.db2.gz JDZGKRVTZXQRKB-BEFAXECRSA-N 1 2 346.450 2.391 20 30 EEEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2cc(C#N)ncn2)c2ccc(Cl)cc2)C1 ZINC000573902237 469225755 /nfs/dbraw/zinc/22/57/55/469225755.db2.gz CMSLVTVDCXMTRC-DOTOQJQBSA-N 1 2 343.818 2.485 20 30 EEEDLO C[N@H+]1CCO[C@H]([C@H](Nc2cc(C#N)ncn2)c2ccc(Cl)cc2)C1 ZINC000573902237 469225758 /nfs/dbraw/zinc/22/57/58/469225758.db2.gz CMSLVTVDCXMTRC-DOTOQJQBSA-N 1 2 343.818 2.485 20 30 EEEDLO Cc1cc(=O)n2nc(C[NH2+][C@@H](C)c3cccc(C#N)c3)sc2n1 ZINC000611389356 469240157 /nfs/dbraw/zinc/24/01/57/469240157.db2.gz UGPLDJYJFCHEST-NSHDSACASA-N 1 2 325.397 2.182 20 30 EEEDLO N#Cc1ccc(CCNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)cc1 ZINC000596319860 469243472 /nfs/dbraw/zinc/24/34/72/469243472.db2.gz GKFIVHQRQOATDO-QGZVFWFLSA-N 1 2 337.427 2.354 20 30 EEEDLO N#Cc1ccc(CCNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)cc1 ZINC000596319860 469243478 /nfs/dbraw/zinc/24/34/78/469243478.db2.gz GKFIVHQRQOATDO-QGZVFWFLSA-N 1 2 337.427 2.354 20 30 EEEDLO COc1ccc(CCC(=O)N2CCC[N@H+](CC3(C#N)CC3)CC2)cc1 ZINC000611429420 469248452 /nfs/dbraw/zinc/24/84/52/469248452.db2.gz PCQULZDXHLOEEP-UHFFFAOYSA-N 1 2 341.455 2.466 20 30 EEEDLO COc1ccc(CCC(=O)N2CCC[N@@H+](CC3(C#N)CC3)CC2)cc1 ZINC000611429420 469248457 /nfs/dbraw/zinc/24/84/57/469248457.db2.gz PCQULZDXHLOEEP-UHFFFAOYSA-N 1 2 341.455 2.466 20 30 EEEDLO CC[N@H+](C[C@H](O)COc1ccccc1C#N)[C@@H](C)C(=O)OC(C)(C)C ZINC000599467909 469267285 /nfs/dbraw/zinc/26/72/85/469267285.db2.gz ATBSIWGHUXYRBC-HOCLYGCPSA-N 1 2 348.443 2.350 20 30 EEEDLO CC[N@@H+](C[C@H](O)COc1ccccc1C#N)[C@@H](C)C(=O)OC(C)(C)C ZINC000599467909 469267289 /nfs/dbraw/zinc/26/72/89/469267289.db2.gz ATBSIWGHUXYRBC-HOCLYGCPSA-N 1 2 348.443 2.350 20 30 EEEDLO N#CC1(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCC1 ZINC000602328374 469284518 /nfs/dbraw/zinc/28/45/18/469284518.db2.gz YGZFAZZMLPFXCX-UHFFFAOYSA-N 1 2 345.472 2.128 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000599637267 469318298 /nfs/dbraw/zinc/31/82/98/469318298.db2.gz RBPCFYXPOAUBJD-UHFFFAOYSA-N 1 2 341.333 2.075 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000599637267 469318300 /nfs/dbraw/zinc/31/83/00/469318300.db2.gz RBPCFYXPOAUBJD-UHFFFAOYSA-N 1 2 341.333 2.075 20 30 EEEDLO COc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@@](C)(C#N)C2)cc1OC ZINC000612161028 469408700 /nfs/dbraw/zinc/40/87/00/469408700.db2.gz NSQPJULWPKEOEZ-KUHUBIRLSA-N 1 2 345.443 2.334 20 30 EEEDLO COc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@@](C)(C#N)C2)cc1OC ZINC000612161028 469408706 /nfs/dbraw/zinc/40/87/06/469408706.db2.gz NSQPJULWPKEOEZ-KUHUBIRLSA-N 1 2 345.443 2.334 20 30 EEEDLO C=CCOc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)cc1 ZINC000616870002 469530312 /nfs/dbraw/zinc/53/03/12/469530312.db2.gz KIKXXTNMJGIGCL-INIZCTEOSA-N 1 2 343.427 2.475 20 30 EEEDLO C[N@H+](Cc1cccs1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000609121749 469892639 /nfs/dbraw/zinc/89/26/39/469892639.db2.gz RYDQWOFDMNDOQB-OAHLLOKOSA-N 1 2 325.393 2.384 20 30 EEEDLO C[N@@H+](Cc1cccs1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000609121749 469892642 /nfs/dbraw/zinc/89/26/42/469892642.db2.gz RYDQWOFDMNDOQB-OAHLLOKOSA-N 1 2 325.393 2.384 20 30 EEEDLO CC#CC[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000627977171 470036776 /nfs/dbraw/zinc/03/67/76/470036776.db2.gz IXXKGTMANPIHQK-SJORKVTESA-N 1 2 334.847 2.195 20 30 EEEDLO CC#CC[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000627977171 470036777 /nfs/dbraw/zinc/03/67/77/470036777.db2.gz IXXKGTMANPIHQK-SJORKVTESA-N 1 2 334.847 2.195 20 30 EEEDLO C=CCC[C@@H]1NC(=O)N(Cc2cc[nH+]c(N3CCCCC3)c2)C1=O ZINC000642926795 470591834 /nfs/dbraw/zinc/59/18/34/470591834.db2.gz UBAQJRJSVOAXNQ-HNNXBMFYSA-N 1 2 328.416 2.459 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC000669015006 471348937 /nfs/dbraw/zinc/34/89/37/471348937.db2.gz XCMKJTDDJHGDNF-JONQDZQNSA-N 1 2 331.464 2.092 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC000669015006 471348942 /nfs/dbraw/zinc/34/89/42/471348942.db2.gz XCMKJTDDJHGDNF-JONQDZQNSA-N 1 2 331.464 2.092 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2cc(C)ccc2C)nn1 ZINC000640882419 485482662 /nfs/dbraw/zinc/48/26/62/485482662.db2.gz ZBCHSBKNNFTOEV-HNNXBMFYSA-N 1 2 325.416 2.208 20 30 EEEDLO C=CCN(Cc1ccccc1F)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356374130 526361470 /nfs/dbraw/zinc/36/14/70/526361470.db2.gz ZWRHFEUYKZAVSZ-HNNXBMFYSA-N 1 2 335.423 2.244 20 30 EEEDLO C=CCN(Cc1ccccc1F)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356374130 526361474 /nfs/dbraw/zinc/36/14/74/526361474.db2.gz ZWRHFEUYKZAVSZ-HNNXBMFYSA-N 1 2 335.423 2.244 20 30 EEEDLO C=CC[C@@H](C)NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000116951006 527026225 /nfs/dbraw/zinc/02/62/25/527026225.db2.gz AJMPJZNFNSIKDT-MRXNPFEDSA-N 1 2 347.459 2.161 20 30 EEEDLO C=CCC1(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCC1 ZINC000359950729 527061437 /nfs/dbraw/zinc/06/14/37/527061437.db2.gz UFFCMISEDNQYFE-UHFFFAOYSA-N 1 2 342.443 2.154 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000111125395 527381804 /nfs/dbraw/zinc/38/18/04/527381804.db2.gz SWKPWDXQXGMCJR-HKUYNNGSSA-N 1 2 346.471 2.027 20 30 EEEDLO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)C1=O ZINC000361452222 527789609 /nfs/dbraw/zinc/78/96/09/527789609.db2.gz ZCZNHBBDVWHDLY-CVEARBPZSA-N 1 2 340.427 2.089 20 30 EEEDLO CC1(C)NC(=O)N(CC[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)C1=O ZINC000361452222 527789616 /nfs/dbraw/zinc/78/96/16/527789616.db2.gz ZCZNHBBDVWHDLY-CVEARBPZSA-N 1 2 340.427 2.089 20 30 EEEDLO NC(=[NH+]OCc1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)cc1 ZINC000737731136 576121484 /nfs/dbraw/zinc/12/14/84/576121484.db2.gz OYXQBYFYIVCGDT-UHFFFAOYSA-N 1 2 328.763 2.357 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2OC)cn1 ZINC000728808379 576531633 /nfs/dbraw/zinc/53/16/33/576531633.db2.gz XTXFOUULIHYJOL-SFHVURJKSA-N 1 2 346.390 2.324 20 30 EEEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CCNC(=O)[C@H]1CC ZINC000730256573 577012626 /nfs/dbraw/zinc/01/26/26/577012626.db2.gz KJLSRTRVQDLCME-CQSZACIVSA-N 1 2 330.457 2.482 20 30 EEEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CCNC(=O)[C@H]1CC ZINC000730256573 577012627 /nfs/dbraw/zinc/01/26/27/577012627.db2.gz KJLSRTRVQDLCME-CQSZACIVSA-N 1 2 330.457 2.482 20 30 EEEDLO C#C[C@@H]([NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1)[C@@H]1CCCO1 ZINC000775342940 577435488 /nfs/dbraw/zinc/43/54/88/577435488.db2.gz UELCIDVHMLQTKA-CVEARBPZSA-N 1 2 334.782 2.330 20 30 EEEDLO C#C[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)[C@H]1CCCO1 ZINC000775801143 577446371 /nfs/dbraw/zinc/44/63/71/577446371.db2.gz WNEPHLSDYMQXAY-LSDHHAIUSA-N 1 2 330.819 2.406 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Br)cc(OC)c1 ZINC000766015388 577511273 /nfs/dbraw/zinc/51/12/73/577511273.db2.gz GPIWYWBDCYUYFJ-AWEZNQCLSA-N 1 2 337.217 2.494 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Br)cc(OC)c1 ZINC000766015388 577511274 /nfs/dbraw/zinc/51/12/74/577511274.db2.gz GPIWYWBDCYUYFJ-AWEZNQCLSA-N 1 2 337.217 2.494 20 30 EEEDLO C=C(Br)CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000767782038 577544845 /nfs/dbraw/zinc/54/48/45/577544845.db2.gz QBUJQKGTZQVHAQ-LLVKDONJSA-N 1 2 327.226 2.218 20 30 EEEDLO C#CCCCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000758675615 577629434 /nfs/dbraw/zinc/62/94/34/577629434.db2.gz QDGFUSQJTYGWDD-MRXNPFEDSA-N 1 2 348.516 2.139 20 30 EEEDLO COC[C@@H](C)NC(=S)N[NH+]=C(C)c1ccc(F)cc1N(C)C ZINC000759185666 577638702 /nfs/dbraw/zinc/63/87/02/577638702.db2.gz QYCKXTAZQUDLHC-SNVBAGLBSA-N 1 2 326.441 2.115 20 30 EEEDLO N#Cc1ccc(O)c(NC(=O)c2ccccc2C[NH+]2CCOCC2)c1 ZINC000759714207 577648422 /nfs/dbraw/zinc/64/84/22/577648422.db2.gz WTJYWCOXZXFTFP-UHFFFAOYSA-N 1 2 337.379 2.348 20 30 EEEDLO Cc1ccn2cc(CNC(=O)C#Cc3ccc4c(c3)OCO4)[nH+]c2c1 ZINC000761711149 577688078 /nfs/dbraw/zinc/68/80/78/577688078.db2.gz KPUWGAXJKPSBGO-UHFFFAOYSA-N 1 2 333.347 2.039 20 30 EEEDLO COc1ccc2c(c1)C(N=Nc1ccc(-n3cc[nH+]c3)nn1)CCO2 ZINC000761839788 577689896 /nfs/dbraw/zinc/68/98/96/577689896.db2.gz VJWRUBKCFBAJMX-UHFFFAOYSA-N 1 2 336.355 2.270 20 30 EEEDLO COc1ccc2c(c1)C(=NNc1ccc(-n3cc[nH+]c3)nn1)CCO2 ZINC000761839788 577689897 /nfs/dbraw/zinc/68/98/97/577689897.db2.gz VJWRUBKCFBAJMX-UHFFFAOYSA-N 1 2 336.355 2.270 20 30 EEEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)c(F)c1 ZINC000753831191 577794698 /nfs/dbraw/zinc/79/46/98/577794698.db2.gz ZIEQXMCSESNQCX-UHFFFAOYSA-N 1 2 343.358 2.345 20 30 EEEDLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000744407746 577897330 /nfs/dbraw/zinc/89/73/30/577897330.db2.gz QQGGNJAJBVVURP-OLZOCXBDSA-N 1 2 328.441 2.246 20 30 EEEDLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000744407746 577897331 /nfs/dbraw/zinc/89/73/31/577897331.db2.gz QQGGNJAJBVVURP-OLZOCXBDSA-N 1 2 328.441 2.246 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000736668988 578217008 /nfs/dbraw/zinc/21/70/08/578217008.db2.gz OWZLXZKCJLHVSY-LBPRGKRZSA-N 1 2 341.333 2.389 20 30 EEEDLO C[C@H](NC(=O)c1ccc[nH]1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969292880 674807411 /nfs/dbraw/zinc/80/74/11/674807411.db2.gz AIHTXTNELFWBRI-LBPRGKRZSA-N 1 2 326.375 2.276 20 30 EEEDLO C[C@H](NC(=O)[C@H]1OCC[C@H]1C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970441194 675897862 /nfs/dbraw/zinc/89/78/62/675897862.db2.gz FCALGYLDRGQHNW-VBHSOAQHSA-N 1 2 345.418 2.059 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2nc(C)c(C)s2)C1 ZINC000970446174 675901409 /nfs/dbraw/zinc/90/14/09/675901409.db2.gz BZPCZZRUARXVSG-WQVCFCJDSA-N 1 2 349.500 2.288 20 30 EEEDLO C[C@H](NC(=O)c1nccs1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970636797 676040816 /nfs/dbraw/zinc/04/08/16/676040816.db2.gz LOBLFTTYNVKSEO-NSHDSACASA-N 1 2 344.415 2.404 20 30 EEEDLO C[C@H](NC(=O)c1nccs1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970637304 676041126 /nfs/dbraw/zinc/04/11/26/676041126.db2.gz QKYJFIMKYFBYHF-NSHDSACASA-N 1 2 344.415 2.404 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)ns1 ZINC001038193003 676056602 /nfs/dbraw/zinc/05/66/02/676056602.db2.gz BLRINJXRIFBJIW-OAHLLOKOSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)ns1 ZINC001038193003 676056604 /nfs/dbraw/zinc/05/66/04/676056604.db2.gz BLRINJXRIFBJIW-OAHLLOKOSA-N 1 2 326.425 2.328 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nc(CCC)no3)C2)CC1 ZINC000969830584 675235922 /nfs/dbraw/zinc/23/59/22/675235922.db2.gz NVSZXTHROLMITQ-OAHLLOKOSA-N 1 2 332.448 2.459 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](Cc3snnc3C)C2)cc1 ZINC000970257499 675750662 /nfs/dbraw/zinc/75/06/62/675750662.db2.gz YJTGZZHGXGBGPV-LBPRGKRZSA-N 1 2 340.452 2.078 20 30 EEEDLO N#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001021641723 676297388 /nfs/dbraw/zinc/29/73/88/676297388.db2.gz KJEWITZALWDGFT-MJGOQNOKSA-N 1 2 349.438 2.322 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCCO2)C1 ZINC000971127120 676397483 /nfs/dbraw/zinc/39/74/83/676397483.db2.gz ZZMHHFAVUXKWBD-ZIAGYGMSSA-N 1 2 345.281 2.387 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCCO2)C1 ZINC000971127120 676397484 /nfs/dbraw/zinc/39/74/84/676397484.db2.gz ZZMHHFAVUXKWBD-ZIAGYGMSSA-N 1 2 345.281 2.387 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+](C)[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC000971288052 676471557 /nfs/dbraw/zinc/47/15/57/676471557.db2.gz HJHQWNFJALBAFW-OCCSQVGLSA-N 1 2 327.388 2.090 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+](C)[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC000971288052 676471558 /nfs/dbraw/zinc/47/15/58/676471558.db2.gz HJHQWNFJALBAFW-OCCSQVGLSA-N 1 2 327.388 2.090 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000971354716 676498116 /nfs/dbraw/zinc/49/81/16/676498116.db2.gz JMGKRJULTOWPOQ-MSOLQXFVSA-N 1 2 345.418 2.299 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000971354716 676498118 /nfs/dbraw/zinc/49/81/18/676498118.db2.gz JMGKRJULTOWPOQ-MSOLQXFVSA-N 1 2 345.418 2.299 20 30 EEEDLO Cn1cc(CN(CCC#N)CC[NH+]2CCOCC2)c(C2CCCC2)n1 ZINC000891393520 676552574 /nfs/dbraw/zinc/55/25/74/676552574.db2.gz HITPLSLDDYVJTD-UHFFFAOYSA-N 1 2 345.491 2.126 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C(F)F ZINC000972712459 679709822 /nfs/dbraw/zinc/70/98/22/679709822.db2.gz NNCINQPGBFIRNU-CYBMUJFWSA-N 1 2 325.334 2.289 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C(F)F ZINC000972712459 679709826 /nfs/dbraw/zinc/70/98/26/679709826.db2.gz NNCINQPGBFIRNU-CYBMUJFWSA-N 1 2 325.334 2.289 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3nc(C)c(C)o3)C2)nc1 ZINC000972750972 679745588 /nfs/dbraw/zinc/74/55/88/679745588.db2.gz GRCPBEFHNYZPMG-INIZCTEOSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3nc(C)c(C)o3)C2)nc1 ZINC000972750972 679745589 /nfs/dbraw/zinc/74/55/89/679745589.db2.gz GRCPBEFHNYZPMG-INIZCTEOSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H](C)c3nnc(C)o3)C2)cc1 ZINC000972059909 678186188 /nfs/dbraw/zinc/18/61/88/678186188.db2.gz YFEWCOKUECGFCG-SUMWQHHRSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H](C)c3nnc(C)o3)C2)cc1 ZINC000972059909 678186190 /nfs/dbraw/zinc/18/61/90/678186190.db2.gz YFEWCOKUECGFCG-SUMWQHHRSA-N 1 2 338.411 2.267 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nc(C(C)C)oc3C)C2)C1 ZINC000972382405 678629818 /nfs/dbraw/zinc/62/98/18/678629818.db2.gz YLWWTFDILDAJGY-LJQANCHMSA-N 1 2 345.443 2.047 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3nc(C(C)C)oc3C)C2)C1 ZINC000972382405 678629820 /nfs/dbraw/zinc/62/98/20/678629820.db2.gz YLWWTFDILDAJGY-LJQANCHMSA-N 1 2 345.443 2.047 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(C)(C)C)cn3)C2)C1 ZINC000972387716 678638779 /nfs/dbraw/zinc/63/87/79/678638779.db2.gz WFXOMBPXGPDZPJ-HXUWFJFHSA-N 1 2 343.471 2.482 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(C)(C)C)cn3)C2)C1 ZINC000972387716 678638783 /nfs/dbraw/zinc/63/87/83/678638783.db2.gz WFXOMBPXGPDZPJ-HXUWFJFHSA-N 1 2 343.471 2.482 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCC3(F)F)C2)C1 ZINC000972480497 678847948 /nfs/dbraw/zinc/84/79/48/678847948.db2.gz NEUXTVMCMMMAAH-ZBFHGGJFSA-N 1 2 328.403 2.301 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCC3(F)F)C2)C1 ZINC000972480497 678847951 /nfs/dbraw/zinc/84/79/51/678847951.db2.gz NEUXTVMCMMMAAH-ZBFHGGJFSA-N 1 2 328.403 2.301 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)cc(C)cc3C)C2)C1 ZINC000972534792 679201770 /nfs/dbraw/zinc/20/17/70/679201770.db2.gz PWIRFRKJYSJPLL-NRFANRHFSA-N 1 2 340.467 2.091 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)cc(C)cc3C)C2)C1 ZINC000972534792 679201771 /nfs/dbraw/zinc/20/17/71/679201771.db2.gz PWIRFRKJYSJPLL-NRFANRHFSA-N 1 2 340.467 2.091 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cccc(Cl)c3)C2)C1 ZINC000972535378 679203895 /nfs/dbraw/zinc/20/38/95/679203895.db2.gz UQMUHFGRYMYZJS-LJQANCHMSA-N 1 2 346.858 2.209 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cccc(Cl)c3)C2)C1 ZINC000972535378 679203897 /nfs/dbraw/zinc/20/38/97/679203897.db2.gz UQMUHFGRYMYZJS-LJQANCHMSA-N 1 2 346.858 2.209 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3cccs3)C2)C1 ZINC000972548943 679250359 /nfs/dbraw/zinc/25/03/59/679250359.db2.gz KYJYLOCSUPGFJO-MAUKXSAKSA-N 1 2 332.469 2.178 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3cccs3)C2)C1 ZINC000972548943 679250361 /nfs/dbraw/zinc/25/03/61/679250361.db2.gz KYJYLOCSUPGFJO-MAUKXSAKSA-N 1 2 332.469 2.178 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3cc(C)oc3C)C2)C1 ZINC000972598870 679400228 /nfs/dbraw/zinc/40/02/28/679400228.db2.gz KKYBPWAFOJAJRS-DNVCBOLYSA-N 1 2 332.444 2.489 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3cc(C)oc3C)C2)C1 ZINC000972598870 679400230 /nfs/dbraw/zinc/40/02/30/679400230.db2.gz KKYBPWAFOJAJRS-DNVCBOLYSA-N 1 2 332.444 2.489 20 30 EEEDLO C[C@@H]1C[C@@H](NC(=O)c2ncc[nH]2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947296655 679405894 /nfs/dbraw/zinc/40/58/94/679405894.db2.gz PFAIQRQRXBCFBA-WBMJQRKESA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@@H]1C[C@@H](NC(=O)c2ncc[nH]2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947296655 679405896 /nfs/dbraw/zinc/40/58/96/679405896.db2.gz PFAIQRQRXBCFBA-WBMJQRKESA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@@H]1C[C@H](NC(=O)c2ncc[nH]2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947296654 679406026 /nfs/dbraw/zinc/40/60/26/679406026.db2.gz PFAIQRQRXBCFBA-MLGOLLRUSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@@H]1C[C@H](NC(=O)c2ncc[nH]2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947296654 679406028 /nfs/dbraw/zinc/40/60/28/679406028.db2.gz PFAIQRQRXBCFBA-MLGOLLRUSA-N 1 2 341.390 2.203 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CCCC)nc3C)C2)C1 ZINC000972633133 679467998 /nfs/dbraw/zinc/46/79/98/679467998.db2.gz XIFUKGIAFUQOGY-IBGZPJMESA-N 1 2 346.475 2.095 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CCCC)nc3C)C2)C1 ZINC000972633133 679467999 /nfs/dbraw/zinc/46/79/99/679467999.db2.gz XIFUKGIAFUQOGY-IBGZPJMESA-N 1 2 346.475 2.095 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cscn3)C2)nc1 ZINC001023709369 679492406 /nfs/dbraw/zinc/49/24/06/679492406.db2.gz TUIGPJRKCWEEEA-HNNXBMFYSA-N 1 2 340.452 2.161 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cscn3)C2)nc1 ZINC001023709369 679492407 /nfs/dbraw/zinc/49/24/07/679492407.db2.gz TUIGPJRKCWEEEA-HNNXBMFYSA-N 1 2 340.452 2.161 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2nocc2C)C1 ZINC000972682690 679597136 /nfs/dbraw/zinc/59/71/36/679597136.db2.gz GLSMXMRTZMVMQK-NSHDSACASA-N 1 2 328.210 2.038 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2nocc2C)C1 ZINC000972682690 679597141 /nfs/dbraw/zinc/59/71/41/679597141.db2.gz GLSMXMRTZMVMQK-NSHDSACASA-N 1 2 328.210 2.038 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C34CCC(CC3)CC4)C2)C1 ZINC000972683655 679598375 /nfs/dbraw/zinc/59/83/75/679598375.db2.gz FCXXVXXFMFGILT-LYBXBRPPSA-N 1 2 330.472 2.283 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C34CCC(CC3)CC4)C2)C1 ZINC000972683655 679598377 /nfs/dbraw/zinc/59/83/77/679598377.db2.gz FCXXVXXFMFGILT-LYBXBRPPSA-N 1 2 330.472 2.283 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3nc(C)cs3)C2)nc1 ZINC000972753171 679747247 /nfs/dbraw/zinc/74/72/47/679747247.db2.gz RFFKEEAIHCOESB-HNNXBMFYSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3nc(C)cs3)C2)nc1 ZINC000972753171 679747248 /nfs/dbraw/zinc/74/72/48/679747248.db2.gz RFFKEEAIHCOESB-HNNXBMFYSA-N 1 2 340.452 2.174 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccon2)c1 ZINC001024344290 679878141 /nfs/dbraw/zinc/87/81/41/679878141.db2.gz YQMCDTAHVAIFDB-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccon2)c1 ZINC001024344290 679878142 /nfs/dbraw/zinc/87/81/42/679878142.db2.gz YQMCDTAHVAIFDB-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)oc1C ZINC001024383714 679886393 /nfs/dbraw/zinc/88/63/93/679886393.db2.gz ZJDLVWQGQHVPOU-OAHLLOKOSA-N 1 2 341.415 2.276 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)oc1C ZINC001024383714 679886394 /nfs/dbraw/zinc/88/63/94/679886394.db2.gz ZJDLVWQGQHVPOU-OAHLLOKOSA-N 1 2 341.415 2.276 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnc2[nH]cnc2c1 ZINC001024462065 679922651 /nfs/dbraw/zinc/92/26/51/679922651.db2.gz MPXBPMOBAFPDBA-CYBMUJFWSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnc2[nH]cnc2c1 ZINC001024462065 679922646 /nfs/dbraw/zinc/92/26/46/679922646.db2.gz MPXBPMOBAFPDBA-CYBMUJFWSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001024517222 680023324 /nfs/dbraw/zinc/02/33/24/680023324.db2.gz RNLMCEDSUHZERR-CABCVRRESA-N 1 2 336.867 2.169 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001024517222 680023330 /nfs/dbraw/zinc/02/33/30/680023330.db2.gz RNLMCEDSUHZERR-CABCVRRESA-N 1 2 336.867 2.169 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001024519181 680027065 /nfs/dbraw/zinc/02/70/65/680027065.db2.gz QFMLHICHEZLIKD-GFCCVEGCSA-N 1 2 349.822 2.000 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001024519181 680027070 /nfs/dbraw/zinc/02/70/70/680027070.db2.gz QFMLHICHEZLIKD-GFCCVEGCSA-N 1 2 349.822 2.000 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C1CCC(C(N)=O)CC1 ZINC001024519714 680027678 /nfs/dbraw/zinc/02/76/78/680027678.db2.gz WZEUMEDZSDEFQG-NRXISQOPSA-N 1 2 341.883 2.001 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CCC(C(N)=O)CC1 ZINC001024519714 680027684 /nfs/dbraw/zinc/02/76/84/680027684.db2.gz WZEUMEDZSDEFQG-NRXISQOPSA-N 1 2 341.883 2.001 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(C)o3)[C@H](C)C2)cc1 ZINC000947612710 680064736 /nfs/dbraw/zinc/06/47/36/680064736.db2.gz XMEAUAKWMSXLHY-CXAGYDPISA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(C)o3)[C@H](C)C2)cc1 ZINC000947612710 680064738 /nfs/dbraw/zinc/06/47/38/680064738.db2.gz XMEAUAKWMSXLHY-CXAGYDPISA-N 1 2 338.411 2.142 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(C(C)C)nn1 ZINC001024735809 681399053 /nfs/dbraw/zinc/39/90/53/681399053.db2.gz VCFVHZVLTVYCHG-CYBMUJFWSA-N 1 2 325.844 2.196 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(C(C)C)nn1 ZINC001024735809 681399058 /nfs/dbraw/zinc/39/90/58/681399058.db2.gz VCFVHZVLTVYCHG-CYBMUJFWSA-N 1 2 325.844 2.196 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001024810785 681462820 /nfs/dbraw/zinc/46/28/20/681462820.db2.gz JPVJNYFUTPAWKS-UKRRQHHQSA-N 1 2 336.867 2.238 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001024810785 681462824 /nfs/dbraw/zinc/46/28/24/681462824.db2.gz JPVJNYFUTPAWKS-UKRRQHHQSA-N 1 2 336.867 2.238 20 30 EEEDLO N#CCOc1ccc(CNC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000177948868 681602536 /nfs/dbraw/zinc/60/25/36/681602536.db2.gz GHGLCNFNYJFHQY-UHFFFAOYSA-N 1 2 335.367 2.236 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000983080106 681756670 /nfs/dbraw/zinc/75/66/70/681756670.db2.gz XVYAIADTNDYICF-ZIAGYGMSSA-N 1 2 344.459 2.007 20 30 EEEDLO Cc1cnc(C[N@@H+]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)s1 ZINC000973046151 681930993 /nfs/dbraw/zinc/93/09/93/681930993.db2.gz ARFVOZYXNONQBS-AWEZNQCLSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1cnc(C[N@H+]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)s1 ZINC000973046151 681930994 /nfs/dbraw/zinc/93/09/94/681930994.db2.gz ARFVOZYXNONQBS-AWEZNQCLSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1nc(N[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)ccc1C#N ZINC001059111374 682210609 /nfs/dbraw/zinc/21/06/09/682210609.db2.gz WRWXVKDEYGDZDQ-HNNXBMFYSA-N 1 2 346.394 2.465 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001025585115 683041566 /nfs/dbraw/zinc/04/15/66/683041566.db2.gz ATGLIXJLHGGHAB-ZIAGYGMSSA-N 1 2 337.851 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001025585115 683041572 /nfs/dbraw/zinc/04/15/72/683041572.db2.gz ATGLIXJLHGGHAB-ZIAGYGMSSA-N 1 2 337.851 2.266 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2c(C)nn(C)c2C)C(C)(C)C1 ZINC000974867601 685643500 /nfs/dbraw/zinc/64/35/00/685643500.db2.gz ADIPEFDWTBFORQ-HNNXBMFYSA-N 1 2 338.883 2.159 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2c(C)nn(C)c2C)C(C)(C)C1 ZINC000974867601 685643502 /nfs/dbraw/zinc/64/35/02/685643502.db2.gz ADIPEFDWTBFORQ-HNNXBMFYSA-N 1 2 338.883 2.159 20 30 EEEDLO Cc1nc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)c[nH]1 ZINC001029242980 683672344 /nfs/dbraw/zinc/67/23/44/683672344.db2.gz PZQVHPCDJUAQGD-HDICACEKSA-N 1 2 334.423 2.059 20 30 EEEDLO Cc1nc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)c[nH]1 ZINC001029242980 683672349 /nfs/dbraw/zinc/67/23/49/683672349.db2.gz PZQVHPCDJUAQGD-HDICACEKSA-N 1 2 334.423 2.059 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2ccon2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993046602 683794461 /nfs/dbraw/zinc/79/44/61/683794461.db2.gz FCNBWSBLMXELCC-BXUZGUMPSA-N 1 2 330.413 2.391 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2ccon2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993046602 683794465 /nfs/dbraw/zinc/79/44/65/683794465.db2.gz FCNBWSBLMXELCC-BXUZGUMPSA-N 1 2 330.413 2.391 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cnns2)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000993079455 683896376 /nfs/dbraw/zinc/89/63/76/683896376.db2.gz ARVSARVSQCYQKL-SWLSCSKDSA-N 1 2 341.440 2.193 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cnns2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000993079455 683896380 /nfs/dbraw/zinc/89/63/80/683896380.db2.gz ARVSARVSQCYQKL-SWLSCSKDSA-N 1 2 341.440 2.193 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](C/C(Cl)=C\Cl)C[C@H]32)nc1 ZINC001026141230 683905304 /nfs/dbraw/zinc/90/53/04/683905304.db2.gz YVMLTIUEBRLLTF-KFIVMSIUSA-N 1 2 336.222 2.042 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](C/C(Cl)=C\Cl)C[C@H]32)nc1 ZINC001026141230 683905308 /nfs/dbraw/zinc/90/53/08/683905308.db2.gz YVMLTIUEBRLLTF-KFIVMSIUSA-N 1 2 336.222 2.042 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000984427254 684532131 /nfs/dbraw/zinc/53/21/31/684532131.db2.gz BTQYSNBYUDSNAT-INIZCTEOSA-N 1 2 344.459 2.079 20 30 EEEDLO Cc1cnn(C)c1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029431173 684545093 /nfs/dbraw/zinc/54/50/93/684545093.db2.gz BBPJWIQMIRWFBO-KDURUIRLSA-N 1 2 348.450 2.069 20 30 EEEDLO Cc1cnn(C)c1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029431173 684545096 /nfs/dbraw/zinc/54/50/96/684545096.db2.gz BBPJWIQMIRWFBO-KDURUIRLSA-N 1 2 348.450 2.069 20 30 EEEDLO Cc1nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C)C#N)c2c([nH+]1)CCCC2 ZINC001058734073 685022948 /nfs/dbraw/zinc/02/29/48/685022948.db2.gz CORKXBZBYWBKMT-YUELXQCFSA-N 1 2 339.443 2.003 20 30 EEEDLO CC#CC[N@H+]1C[C@H](NC(=O)c2cnc([C@@H](C)OC)s2)C(C)(C)C1 ZINC000974591839 685108128 /nfs/dbraw/zinc/10/81/28/685108128.db2.gz LQHTZFIQMSKAPE-OCCSQVGLSA-N 1 2 335.473 2.314 20 30 EEEDLO CC#CC[N@@H+]1C[C@H](NC(=O)c2cnc([C@@H](C)OC)s2)C(C)(C)C1 ZINC000974591839 685108129 /nfs/dbraw/zinc/10/81/29/685108129.db2.gz LQHTZFIQMSKAPE-OCCSQVGLSA-N 1 2 335.473 2.314 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnc3[nH]cnc3c2)C(C)(C)C1 ZINC000974628640 685129717 /nfs/dbraw/zinc/12/97/17/685129717.db2.gz BXBRYYHFVKRIDK-CYBMUJFWSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnc3[nH]cnc3c2)C(C)(C)C1 ZINC000974628640 685129720 /nfs/dbraw/zinc/12/97/20/685129720.db2.gz BXBRYYHFVKRIDK-CYBMUJFWSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3cc(OC)no3)CC2(C)C)C1 ZINC000975032774 686083759 /nfs/dbraw/zinc/08/37/59/686083759.db2.gz ZKZTYZUNQXPXQS-AWEZNQCLSA-N 1 2 333.432 2.366 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3cc(OC)no3)CC2(C)C)C1 ZINC000975032774 686083762 /nfs/dbraw/zinc/08/37/62/686083762.db2.gz ZKZTYZUNQXPXQS-AWEZNQCLSA-N 1 2 333.432 2.366 20 30 EEEDLO C[C@H](c1csnn1)[N@H+](C)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000985392894 686505113 /nfs/dbraw/zinc/50/51/13/686505113.db2.gz YUXCDAPBODIDBJ-LLVKDONJSA-N 1 2 344.444 2.035 20 30 EEEDLO C[C@H](c1csnn1)[N@@H+](C)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000985392894 686505117 /nfs/dbraw/zinc/50/51/17/686505117.db2.gz YUXCDAPBODIDBJ-LLVKDONJSA-N 1 2 344.444 2.035 20 30 EEEDLO Cc1nn(C)c(Cl)c1C[N@H+](C)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027405123 687962108 /nfs/dbraw/zinc/96/21/08/687962108.db2.gz BVZHYCQUFISDNE-HNNXBMFYSA-N 1 2 348.878 2.218 20 30 EEEDLO Cc1nn(C)c(Cl)c1C[N@@H+](C)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027405123 687962114 /nfs/dbraw/zinc/96/21/14/687962114.db2.gz BVZHYCQUFISDNE-HNNXBMFYSA-N 1 2 348.878 2.218 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(CC)o3)[C@@H]2C)cc1 ZINC000986636582 688810127 /nfs/dbraw/zinc/81/01/27/688810127.db2.gz JPUWHOQINOVTNF-XJKSGUPXSA-N 1 2 338.411 2.006 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001059854962 690304752 /nfs/dbraw/zinc/30/47/52/690304752.db2.gz SYBWHDRWPADSTR-RBSFLKMASA-N 1 2 344.459 2.080 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001059854962 690304754 /nfs/dbraw/zinc/30/47/54/690304754.db2.gz SYBWHDRWPADSTR-RBSFLKMASA-N 1 2 344.459 2.080 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000988182000 690380281 /nfs/dbraw/zinc/38/02/81/690380281.db2.gz IIGQEGMIDMBPAX-RRFJBIMHSA-N 1 2 344.459 2.032 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000988182000 690380282 /nfs/dbraw/zinc/38/02/82/690380282.db2.gz IIGQEGMIDMBPAX-RRFJBIMHSA-N 1 2 344.459 2.032 20 30 EEEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)c1cn[nH]c1 ZINC001027770244 694425515 /nfs/dbraw/zinc/42/55/15/694425515.db2.gz ONEPKOATYWKRBU-INIZCTEOSA-N 1 2 342.830 2.309 20 30 EEEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)c1cn[nH]c1 ZINC001027770244 694425519 /nfs/dbraw/zinc/42/55/19/694425519.db2.gz ONEPKOATYWKRBU-INIZCTEOSA-N 1 2 342.830 2.309 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)Cc2cn(CC)nn2)C1 ZINC001027559545 692999242 /nfs/dbraw/zinc/99/92/42/692999242.db2.gz ASQQIHWNEJXHGC-FUHWJXTLSA-N 1 2 333.480 2.323 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@H+](C)Cc2cn(CC)nn2)C1 ZINC001027559545 692999245 /nfs/dbraw/zinc/99/92/45/692999245.db2.gz ASQQIHWNEJXHGC-FUHWJXTLSA-N 1 2 333.480 2.323 20 30 EEEDLO CCc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)no1 ZINC001032135919 1192766548 /nfs/dbraw/zinc/76/65/48/1192766548.db2.gz UDGMVIFKEFCUIV-UHFFFAOYSA-N 1 2 342.374 2.110 20 30 EEEDLO COc1cccc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c1 ZINC001032149063 1192779142 /nfs/dbraw/zinc/77/91/42/1192779142.db2.gz PXBKMYKRLHLYKY-UHFFFAOYSA-N 1 2 334.419 2.409 20 30 EEEDLO CN(C)c1cccc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)c1 ZINC001032150073 1192780304 /nfs/dbraw/zinc/78/03/04/1192780304.db2.gz FOXXDZDJMRHILH-UHFFFAOYSA-N 1 2 348.450 2.486 20 30 EEEDLO Cc1nc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)sc1C ZINC001032195192 1192988356 /nfs/dbraw/zinc/98/83/56/1192988356.db2.gz NCUBZLKHEAXIAK-UHFFFAOYSA-N 1 2 339.464 2.473 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1csc(COC)n1)C1CC1 ZINC001481200676 1180087854 /nfs/dbraw/zinc/08/78/54/1180087854.db2.gz UTBXLDKUUVHUAO-UHFFFAOYSA-N 1 2 329.853 2.236 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)c1csc(COC)n1)C1CC1 ZINC001481200676 1180087859 /nfs/dbraw/zinc/08/78/59/1180087859.db2.gz UTBXLDKUUVHUAO-UHFFFAOYSA-N 1 2 329.853 2.236 20 30 EEEDLO CCCC[C@@H](C)C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001268992010 1183882002 /nfs/dbraw/zinc/88/20/02/1183882002.db2.gz MXEMJYAGDUEMCO-OAHLLOKOSA-N 1 2 328.460 2.367 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC2(C[NH+](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC001270508218 1185136625 /nfs/dbraw/zinc/13/66/25/1185136625.db2.gz RVXFGWAEONKASL-CQSZACIVSA-N 1 2 337.427 2.147 20 30 EEEDLO Cc1ocnc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001088486357 1187015918 /nfs/dbraw/zinc/01/59/18/1187015918.db2.gz GPTOAQSJTOISBS-BZNIZROVSA-N 1 2 342.374 2.387 20 30 EEEDLO Cc1ocnc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001088486357 1187015921 /nfs/dbraw/zinc/01/59/21/1187015921.db2.gz GPTOAQSJTOISBS-BZNIZROVSA-N 1 2 342.374 2.387 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)[nH]cc2NC(C)=O)[C@H]1C ZINC001088684966 1188092354 /nfs/dbraw/zinc/09/23/54/1188092354.db2.gz YHDYRNVYMLTSHJ-YPMHNXCESA-N 1 2 338.839 2.227 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)[nH]cc2NC(C)=O)[C@H]1C ZINC001088684966 1188092357 /nfs/dbraw/zinc/09/23/57/1188092357.db2.gz YHDYRNVYMLTSHJ-YPMHNXCESA-N 1 2 338.839 2.227 20 30 EEEDLO N#CCNCC1([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001105531983 1188152529 /nfs/dbraw/zinc/15/25/29/1188152529.db2.gz CSVJOJWEKAUCQA-OAHLLOKOSA-N 1 2 329.448 2.007 20 30 EEEDLO C#CCO[C@H](C)C(=O)N(CC)[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001126817575 1188447700 /nfs/dbraw/zinc/44/77/00/1188447700.db2.gz BIJQBVATPQDFCH-WBVHZDCISA-N 1 2 344.459 2.031 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2-n2cccc2)[C@H]1C ZINC001088783732 1188505880 /nfs/dbraw/zinc/50/58/80/1188505880.db2.gz MBOBYDMLBQGDQS-HIFRSBDPSA-N 1 2 347.850 2.156 20 30 EEEDLO 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C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ncccc1Cl)C2 ZINC001274246284 1204974219 /nfs/dbraw/zinc/97/42/19/1204974219.db2.gz MEEOHLFOPXFIQO-SFHVURJKSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ncccc1Cl)C2 ZINC001274246284 1204974220 /nfs/dbraw/zinc/97/42/20/1204974220.db2.gz MEEOHLFOPXFIQO-SFHVURJKSA-N 1 2 349.862 2.362 20 30 EEEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(Cl)nccc1OC)CC2 ZINC001274497167 1205057249 /nfs/dbraw/zinc/05/72/49/1205057249.db2.gz WPCNQXMGUXFPTA-CQSZACIVSA-N 1 2 347.846 2.095 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(OCC)ncc1F ZINC001274566190 1205082016 /nfs/dbraw/zinc/08/20/16/1205082016.db2.gz YDULEZLOONJCPV-IBGZPJMESA-N 1 2 345.418 2.210 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(OCC)ncc1F ZINC001274566190 1205082018 /nfs/dbraw/zinc/08/20/18/1205082018.db2.gz YDULEZLOONJCPV-IBGZPJMESA-N 1 2 345.418 2.210 20 30 EEEDLO C=C(C)CN1CC[C@@]2(CCCN2c2nc(N3CCCC3)cc[nH+]2)C1=O ZINC001274716525 1205139692 /nfs/dbraw/zinc/13/96/92/1205139692.db2.gz JKLOTRXPZIFSBY-IBGZPJMESA-N 1 2 341.459 2.224 20 30 EEEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2c1nc(N(C)CC)c(C)c[nH+]1 ZINC001274726280 1205142815 /nfs/dbraw/zinc/14/28/15/1205142815.db2.gz PASCEULZVAUDFT-HZPDHXFCSA-N 1 2 343.475 2.387 20 30 EEEDLO Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C#N)n(C)c2)c1 ZINC001274788205 1205165412 /nfs/dbraw/zinc/16/54/12/1205165412.db2.gz LWNZSNAZASCCDN-IYBDPMFKSA-N 1 2 337.427 2.022 20 30 EEEDLO Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C#N)n(C)c2)c1 ZINC001274788205 1205165414 /nfs/dbraw/zinc/16/54/14/1205165414.db2.gz LWNZSNAZASCCDN-IYBDPMFKSA-N 1 2 337.427 2.022 20 30 EEEDLO N#Cc1cccc(CN2C(=O)COCC23C[NH+](Cc2ccccc2)C3)c1 ZINC001275197294 1205278847 /nfs/dbraw/zinc/27/88/47/1205278847.db2.gz QHCBPEOFWILIRX-UHFFFAOYSA-N 1 2 347.418 2.172 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CCc1c(C)nn(C)c1C ZINC001445017575 1205486513 /nfs/dbraw/zinc/48/65/13/1205486513.db2.gz AASWMVFHJOSCKS-UHFFFAOYSA-N 1 2 326.872 2.112 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CCc1c(C)nn(C)c1C ZINC001445017575 1205486511 /nfs/dbraw/zinc/48/65/11/1205486511.db2.gz AASWMVFHJOSCKS-UHFFFAOYSA-N 1 2 326.872 2.112 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cc(F)ccc4F)C3)C2)cc1C#N ZINC001275931916 1205593354 /nfs/dbraw/zinc/59/33/54/1205593354.db2.gz UMOHMGFKXLXASZ-UHFFFAOYSA-N 1 2 342.393 2.493 20 30 EEEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)NC(C)C ZINC001276086561 1205770418 /nfs/dbraw/zinc/77/04/18/1205770418.db2.gz GQQSCYVGZQJSJO-CALCHBBNSA-N 1 2 342.443 2.333 20 30 EEEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)NC(C)C ZINC001276086561 1205770420 /nfs/dbraw/zinc/77/04/20/1205770420.db2.gz GQQSCYVGZQJSJO-CALCHBBNSA-N 1 2 342.443 2.333 20 30 EEEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1snc(Cl)c1Cl)C2 ZINC001095472772 1205792190 /nfs/dbraw/zinc/79/21/90/1205792190.db2.gz OTPJTOVCZLTVEQ-VGMNWLOBSA-N 1 2 330.240 2.418 20 30 EEEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1snc(Cl)c1Cl)C2 ZINC001095472772 1205792192 /nfs/dbraw/zinc/79/21/92/1205792192.db2.gz OTPJTOVCZLTVEQ-VGMNWLOBSA-N 1 2 330.240 2.418 20 30 EEEDLO C=CCOc1cccc(NC(=O)N[C@@H](CC)C[NH+]2CCOCC2)c1 ZINC000925584629 1206132240 /nfs/dbraw/zinc/13/22/40/1206132240.db2.gz QEBCQKVCMVSDMN-HNNXBMFYSA-N 1 2 333.432 2.484 20 30 EEEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000925612283 1206135644 /nfs/dbraw/zinc/13/56/44/1206135644.db2.gz QQQBYHHIVKTVBL-MAUKXSAKSA-N 1 2 344.459 2.371 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCC ZINC001110933856 1206314353 /nfs/dbraw/zinc/31/43/53/1206314353.db2.gz SWLAEIBSOZYMQO-VQHPVUNQSA-N 1 2 335.492 2.227 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCC ZINC001110933856 1206314354 /nfs/dbraw/zinc/31/43/54/1206314354.db2.gz SWLAEIBSOZYMQO-VQHPVUNQSA-N 1 2 335.492 2.227 20 30 EEEDLO C=CCOc1ccc(C(=O)N[C@@H](CC)C[NH+]2CCOCC2)cc1OC ZINC000928644825 1206406525 /nfs/dbraw/zinc/40/65/25/1206406525.db2.gz RMYBFRIVBIUBSN-INIZCTEOSA-N 1 2 348.443 2.101 20 30 EEEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000928650178 1206407343 /nfs/dbraw/zinc/40/73/43/1206407343.db2.gz KQOMZZXXZRFNIA-ZWKOTPCHSA-N 1 2 329.444 2.301 20 30 EEEDLO C=C(C)CCC(=O)N(C)[C@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1O ZINC001111190935 1208345574 /nfs/dbraw/zinc/34/55/74/1208345574.db2.gz YYFIMWVNIOZNQP-HOTGVXAUSA-N 1 2 346.475 2.273 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1O ZINC001111196904 1208353893 /nfs/dbraw/zinc/35/38/93/1208353893.db2.gz YLSUWHFLVXIZLS-ULQDDVLXSA-N 1 2 346.475 2.012 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2C)C[C@H]1C ZINC000947593581 1208635340 /nfs/dbraw/zinc/63/53/40/1208635340.db2.gz PTKJQOLVARBWRI-PWSUYJOCSA-N 1 2 341.253 2.209 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2C)C[C@H]1C ZINC000947593581 1208635341 /nfs/dbraw/zinc/63/53/41/1208635341.db2.gz PTKJQOLVARBWRI-PWSUYJOCSA-N 1 2 341.253 2.209 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C)on3)[C@@H](C)C2)cn1 ZINC000947948128 1208789856 /nfs/dbraw/zinc/78/98/56/1208789856.db2.gz KUAONKIILSHOMR-SUMWQHHRSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C)on3)[C@@H](C)C2)cn1 ZINC000947948128 1208789857 /nfs/dbraw/zinc/78/98/57/1208789857.db2.gz KUAONKIILSHOMR-SUMWQHHRSA-N 1 2 338.411 2.142 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2CC)C1 ZINC000948588924 1209239090 /nfs/dbraw/zinc/23/90/90/1209239090.db2.gz BCAAUJMWTCGUHQ-ZBFHGGJFSA-N 1 2 344.459 2.052 20 30 EEEDLO C=CCOCC(=O)N(CCNc1cc[nH+]c(C)n1)Cc1ccccc1 ZINC001111281767 1209352906 /nfs/dbraw/zinc/35/29/06/1209352906.db2.gz INVBUSXHPVQWLT-UHFFFAOYSA-N 1 2 340.427 2.428 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCn2nccc21 ZINC000948932587 1209459787 /nfs/dbraw/zinc/45/97/87/1209459787.db2.gz LHCYOQODVGLKSL-AZUAARDMSA-N 1 2 348.450 2.109 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCCn2nccc21 ZINC000948932587 1209459788 /nfs/dbraw/zinc/45/97/88/1209459788.db2.gz LHCYOQODVGLKSL-AZUAARDMSA-N 1 2 348.450 2.109 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccn(CC)n1 ZINC000948966039 1209477736 /nfs/dbraw/zinc/47/77/36/1209477736.db2.gz UMNIVVNCMIBSDS-LJQANCHMSA-N 1 2 336.439 2.256 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccn(CC)n1 ZINC000948966039 1209477740 /nfs/dbraw/zinc/47/77/40/1209477740.db2.gz UMNIVVNCMIBSDS-LJQANCHMSA-N 1 2 336.439 2.256 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cncnc1C1CC1 ZINC000948982069 1209487890 /nfs/dbraw/zinc/48/78/90/1209487890.db2.gz GZPVFAXYKSVDIU-IBGZPJMESA-N 1 2 346.434 2.316 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cncnc1C1CC1 ZINC000948982069 1209487892 /nfs/dbraw/zinc/48/78/92/1209487892.db2.gz GZPVFAXYKSVDIU-IBGZPJMESA-N 1 2 346.434 2.316 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3c(F)ccc(C)c3F)CC2)C1 ZINC000949463427 1209698722 /nfs/dbraw/zinc/69/87/22/1209698722.db2.gz MCCPEWCYDSVKGR-UHFFFAOYSA-N 1 2 348.393 2.213 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3c(F)ccc(C)c3F)CC2)C1 ZINC000949463427 1209698723 /nfs/dbraw/zinc/69/87/23/1209698723.db2.gz MCCPEWCYDSVKGR-UHFFFAOYSA-N 1 2 348.393 2.213 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cccn3C(C)C)CC2)C1 ZINC000949528868 1209729669 /nfs/dbraw/zinc/72/96/69/1209729669.db2.gz CYGMWBAMBRKPHG-UHFFFAOYSA-N 1 2 329.444 2.009 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cccn3C(C)C)CC2)C1 ZINC000949528868 1209729667 /nfs/dbraw/zinc/72/96/67/1209729667.db2.gz CYGMWBAMBRKPHG-UHFFFAOYSA-N 1 2 329.444 2.009 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C[C@H](O)c2cccc(F)c2)[C@@H](C#N)C1 ZINC000779395087 1210112684 /nfs/dbraw/zinc/11/26/84/1210112684.db2.gz KZDXXIOMLUPIMB-BPUTZDHNSA-N 1 2 349.406 2.208 20 30 EEEDLO N#Cc1ccccc1CN1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000950433774 1210209774 /nfs/dbraw/zinc/20/97/74/1210209774.db2.gz OIQHRYNLXSCOME-QGZVFWFLSA-N 1 2 349.438 2.046 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC000950590703 1210293326 /nfs/dbraw/zinc/29/33/26/1210293326.db2.gz VSYQPAQMEPCCEC-MOPGFXCFSA-N 1 2 344.455 2.068 20 30 EEEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2cc3cc[nH]c(=O)c3s2)C1 ZINC000950680928 1210347270 /nfs/dbraw/zinc/34/72/70/1210347270.db2.gz GBUNPTYKIAJJIG-UHFFFAOYSA-N 1 2 331.441 2.312 20 30 EEEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC34CCC4)CC2)cc1 ZINC000950851786 1210465496 /nfs/dbraw/zinc/46/54/96/1210465496.db2.gz UVLKAEYPMBCLLU-GOSISDBHSA-N 1 2 339.439 2.423 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cn(C)nc2-c2ccoc2)C1 ZINC000950976193 1210533942 /nfs/dbraw/zinc/53/39/42/1210533942.db2.gz ZVHTWYCGHTUDFW-UHFFFAOYSA-N 1 2 328.416 2.403 20 30 EEEDLO C=CCn1cc(C(=O)N(CC)C2C[NH+](Cc3ccc(C)cc3)C2)nn1 ZINC000952427726 1211416515 /nfs/dbraw/zinc/41/65/15/1211416515.db2.gz YWXZREDRSYHNJM-UHFFFAOYSA-N 1 2 339.443 2.119 20 30 EEEDLO Cc1nc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)cs1 ZINC001038634530 1225310639 /nfs/dbraw/zinc/31/06/39/1225310639.db2.gz HZLFMIKVHSIIMI-HNNXBMFYSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1nc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)cs1 ZINC001038634530 1225310643 /nfs/dbraw/zinc/31/06/43/1225310643.db2.gz HZLFMIKVHSIIMI-HNNXBMFYSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)cs1 ZINC001015604535 1225453726 /nfs/dbraw/zinc/45/37/26/1225453726.db2.gz SADLDXQOTQPYRT-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)cs1 ZINC001015604535 1225453730 /nfs/dbraw/zinc/45/37/30/1225453730.db2.gz SADLDXQOTQPYRT-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)/C(C)=C/C)CC3)C2)C1 ZINC000956590723 1214112629 /nfs/dbraw/zinc/11/26/29/1214112629.db2.gz SBBYROMNGRCKEN-RPDKKYPRSA-N 1 2 345.487 2.054 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@H](C)C(C)C)CC2)C1 ZINC000956618846 1214134643 /nfs/dbraw/zinc/13/46/43/1214134643.db2.gz UAKRBHNSZFFSEA-SJORKVTESA-N 1 2 349.519 2.236 20 30 EEEDLO Cc1nc(N2C[C@@H]3CC[C@H](NC(=O)C#CC(C)C)C[C@H]3C2)cc[nH+]1 ZINC001114654249 1214405491 /nfs/dbraw/zinc/40/54/91/1214405491.db2.gz QRTCHDMBMWIHDY-ULQDDVLXSA-N 1 2 326.444 2.166 20 30 EEEDLO CCc1nocc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015666837 1225529668 /nfs/dbraw/zinc/52/96/68/1225529668.db2.gz AFBHWHCSFLGTSH-AWEZNQCLSA-N 1 2 342.374 2.252 20 30 EEEDLO CCc1nocc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015666837 1225529672 /nfs/dbraw/zinc/52/96/72/1225529672.db2.gz AFBHWHCSFLGTSH-AWEZNQCLSA-N 1 2 342.374 2.252 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000959302654 1214460541 /nfs/dbraw/zinc/46/05/41/1214460541.db2.gz WBMFHSXLGYURRZ-HOCLYGCPSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(C)CC[NH+]1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000957054311 1214795187 /nfs/dbraw/zinc/79/51/87/1214795187.db2.gz MTHAQKJXVJUGMP-UHFFFAOYSA-N 1 2 325.416 2.196 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(C)nc2OCCC)C1 ZINC000957070196 1214809625 /nfs/dbraw/zinc/80/96/25/1214809625.db2.gz GAPJHSRCTYZRCN-UHFFFAOYSA-N 1 2 329.444 2.348 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(OC)c(C)c3)CC2)nc1 ZINC000957379028 1215088664 /nfs/dbraw/zinc/08/86/64/1215088664.db2.gz VXBXARPRGWVSHL-UHFFFAOYSA-N 1 2 349.434 2.338 20 30 EEEDLO C[C@@H](CC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H]1CCCO1 ZINC000957463100 1215142306 /nfs/dbraw/zinc/14/23/06/1215142306.db2.gz WKOBPBBVLIDCGH-QFBILLFUSA-N 1 2 341.455 2.408 20 30 EEEDLO CCc1nc(C[N@H+](CC)CC2CCN(C(=O)C#CC3CC3)CC2)no1 ZINC000957710501 1215370446 /nfs/dbraw/zinc/37/04/46/1215370446.db2.gz KGIXBXMQDXOOBE-UHFFFAOYSA-N 1 2 344.459 2.106 20 30 EEEDLO CCc1nc(C[N@@H+](CC)CC2CCN(C(=O)C#CC3CC3)CC2)no1 ZINC000957710501 1215370448 /nfs/dbraw/zinc/37/04/48/1215370448.db2.gz KGIXBXMQDXOOBE-UHFFFAOYSA-N 1 2 344.459 2.106 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001114822512 1215559177 /nfs/dbraw/zinc/55/91/77/1215559177.db2.gz HVRSJLXMOXNIIB-MQMHXKEQSA-N 1 2 341.390 2.360 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001114822512 1215559179 /nfs/dbraw/zinc/55/91/79/1215559179.db2.gz HVRSJLXMOXNIIB-MQMHXKEQSA-N 1 2 341.390 2.360 20 30 EEEDLO CN(C)c1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)ccn1 ZINC001015785480 1225666653 /nfs/dbraw/zinc/66/66/53/1225666653.db2.gz CVVOIWNIESFXDY-GOSISDBHSA-N 1 2 349.438 2.024 20 30 EEEDLO CN(C)c1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)ccn1 ZINC001015785480 1225666655 /nfs/dbraw/zinc/66/66/55/1225666655.db2.gz CVVOIWNIESFXDY-GOSISDBHSA-N 1 2 349.438 2.024 20 30 EEEDLO N#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000960279066 1216468186 /nfs/dbraw/zinc/46/81/86/1216468186.db2.gz QZIGZLKBBIQGHH-SJLPKXTDSA-N 1 2 331.379 2.072 20 30 EEEDLO Cc1ncc(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2ccc(C#N)s2)[nH]1 ZINC000960493461 1216627341 /nfs/dbraw/zinc/62/73/41/1216627341.db2.gz JYWMQLINKAGWOV-ZDUSSCGKSA-N 1 2 343.456 2.388 20 30 EEEDLO Cc1ncc(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ccc(C#N)s2)[nH]1 ZINC000960493461 1216627344 /nfs/dbraw/zinc/62/73/44/1216627344.db2.gz JYWMQLINKAGWOV-ZDUSSCGKSA-N 1 2 343.456 2.388 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N2CCC[C@H]([C@H]3CCN(CC#N)C3)C2)c[nH+]1 ZINC000961187166 1217076632 /nfs/dbraw/zinc/07/66/32/1217076632.db2.gz BDDUJXREQMCFTR-IRXDYDNUSA-N 1 2 343.475 2.011 20 30 EEEDLO N#CCN1CC[C@@H]([C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961191811 1217079356 /nfs/dbraw/zinc/07/93/56/1217079356.db2.gz WGHWLHFWMSQSLO-HUUCEWRRSA-N 1 2 337.427 2.261 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4nc(CCC)no4)C[C@H]32)CC1 ZINC000961670890 1217268413 /nfs/dbraw/zinc/26/84/13/1217268413.db2.gz VFPUPNTXYFYQNG-HWWDLCQESA-N 1 2 344.459 2.315 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4nc(CCC)no4)C[C@H]32)CC1 ZINC000961670890 1217268418 /nfs/dbraw/zinc/26/84/18/1217268418.db2.gz VFPUPNTXYFYQNG-HWWDLCQESA-N 1 2 344.459 2.315 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4nnc(C5CC5)o4)C[C@H]32)CC1 ZINC000961676453 1217270368 /nfs/dbraw/zinc/27/03/68/1217270368.db2.gz OYSXIGIDUAWNNI-QLPKVWCKSA-N 1 2 342.443 2.240 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4nnc(C5CC5)o4)C[C@H]32)CC1 ZINC000961676453 1217270372 /nfs/dbraw/zinc/27/03/72/1217270372.db2.gz OYSXIGIDUAWNNI-QLPKVWCKSA-N 1 2 342.443 2.240 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cc3ccco3)C2)c(F)c1 ZINC001015882388 1225782083 /nfs/dbraw/zinc/78/20/83/1225782083.db2.gz PMDGIKXPJQTTPT-HNNXBMFYSA-N 1 2 327.359 2.224 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Cc3ccco3)C2)c(F)c1 ZINC001015882388 1225782085 /nfs/dbraw/zinc/78/20/85/1225782085.db2.gz PMDGIKXPJQTTPT-HNNXBMFYSA-N 1 2 327.359 2.224 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C(F)F ZINC000964599496 1218478057 /nfs/dbraw/zinc/47/80/57/1218478057.db2.gz VTYPJLMZTUBTGY-QMTHXVAHSA-N 1 2 325.334 2.289 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C(F)F ZINC000964599496 1218478059 /nfs/dbraw/zinc/47/80/59/1218478059.db2.gz VTYPJLMZTUBTGY-QMTHXVAHSA-N 1 2 325.334 2.289 20 30 EEEDLO Cc1cnc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@H]2C)cn1 ZINC000964808862 1218639429 /nfs/dbraw/zinc/63/94/29/1218639429.db2.gz TZJVETOKBSPQJY-KUHUBIRLSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1cnc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3C#N)CC[C@H]2C)cn1 ZINC000964808862 1218639431 /nfs/dbraw/zinc/63/94/31/1218639431.db2.gz TZJVETOKBSPQJY-KUHUBIRLSA-N 1 2 349.438 2.297 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2C[C@H](C)N(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001013503725 1225841919 /nfs/dbraw/zinc/84/19/19/1225841919.db2.gz FRVRGEVNWZODAT-BBRMVZONSA-N 1 2 344.459 2.113 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C)on1 ZINC000964999327 1218793491 /nfs/dbraw/zinc/79/34/91/1218793491.db2.gz MPKBKLCQKKZXFT-GUYCJALGSA-N 1 2 338.411 2.495 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3C#N)CC[C@@H]2C)on1 ZINC000964999327 1218793493 /nfs/dbraw/zinc/79/34/93/1218793493.db2.gz MPKBKLCQKKZXFT-GUYCJALGSA-N 1 2 338.411 2.495 20 30 EEEDLO C[C@H]1CC[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ncccc1O ZINC000965942289 1219383185 /nfs/dbraw/zinc/38/31/85/1219383185.db2.gz XIBZBMGXWKCPAT-FUHWJXTLSA-N 1 2 349.434 2.279 20 30 EEEDLO C[C@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1ncccc1O ZINC000965942289 1219383189 /nfs/dbraw/zinc/38/31/89/1219383189.db2.gz XIBZBMGXWKCPAT-FUHWJXTLSA-N 1 2 349.434 2.279 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cncc3[nH]cnc32)C1 ZINC000966236459 1219611829 /nfs/dbraw/zinc/61/18/29/1219611829.db2.gz PWXFSPURKLQPKZ-QMTHXVAHSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cncc3[nH]cnc32)C1 ZINC000966236459 1219611830 /nfs/dbraw/zinc/61/18/30/1219611830.db2.gz PWXFSPURKLQPKZ-QMTHXVAHSA-N 1 2 333.823 2.151 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC000967588699 1220653918 /nfs/dbraw/zinc/65/39/18/1220653918.db2.gz IRIIRQOOPXQNHS-OAHLLOKOSA-N 1 2 346.475 2.014 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn(C)nc2Cl)C1 ZINC000968530165 1221380787 /nfs/dbraw/zinc/38/07/87/1221380787.db2.gz YTADAVYBUOLZCZ-SKDRFNHKSA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn(C)nc2Cl)C1 ZINC000968530165 1221380793 /nfs/dbraw/zinc/38/07/93/1221380793.db2.gz YTADAVYBUOLZCZ-SKDRFNHKSA-N 1 2 331.247 2.266 20 30 EEEDLO Cc1ncncc1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001006790008 1221945363 /nfs/dbraw/zinc/94/53/63/1221945363.db2.gz OIRNIKVOSKQALD-SFHVURJKSA-N 1 2 334.423 2.031 20 30 EEEDLO Cc1ncncc1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001006790008 1221945365 /nfs/dbraw/zinc/94/53/65/1221945365.db2.gz OIRNIKVOSKQALD-SFHVURJKSA-N 1 2 334.423 2.031 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)n(C)n1 ZINC001006852983 1221980498 /nfs/dbraw/zinc/98/04/98/1221980498.db2.gz JSFMEGSNFKYJSQ-ZDUSSCGKSA-N 1 2 343.456 2.056 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)n(C)n1 ZINC001006852983 1221980501 /nfs/dbraw/zinc/98/05/01/1221980501.db2.gz JSFMEGSNFKYJSQ-ZDUSSCGKSA-N 1 2 343.456 2.056 20 30 EEEDLO CCn1cc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)cn1 ZINC001006948537 1222029816 /nfs/dbraw/zinc/02/98/16/1222029816.db2.gz FJHVSAXDYDQOKG-LJQANCHMSA-N 1 2 336.439 2.149 20 30 EEEDLO CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)cn1 ZINC001006948537 1222029819 /nfs/dbraw/zinc/02/98/19/1222029819.db2.gz FJHVSAXDYDQOKG-LJQANCHMSA-N 1 2 336.439 2.149 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2C(=O)CC)C1 ZINC001007405120 1222210690 /nfs/dbraw/zinc/21/06/90/1222210690.db2.gz OZQIMZZCFOOTSF-LSDHHAIUSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2C(=O)CC)C1 ZINC001007405120 1222210692 /nfs/dbraw/zinc/21/06/92/1222210692.db2.gz OZQIMZZCFOOTSF-LSDHHAIUSA-N 1 2 341.883 2.111 20 30 EEEDLO Cc1nocc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001008386402 1222801687 /nfs/dbraw/zinc/80/16/87/1222801687.db2.gz QCUNLFUTKXWWPV-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nocc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001008386402 1222801694 /nfs/dbraw/zinc/80/16/94/1222801694.db2.gz QCUNLFUTKXWWPV-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CC2=CCOCC2)C1 ZINC001008420604 1222824085 /nfs/dbraw/zinc/82/40/85/1222824085.db2.gz WDIVCERWWIKOMN-LJQANCHMSA-N 1 2 339.439 2.376 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)CC2=CCOCC2)C1 ZINC001008420604 1222824089 /nfs/dbraw/zinc/82/40/89/1222824089.db2.gz WDIVCERWWIKOMN-LJQANCHMSA-N 1 2 339.439 2.376 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3c(C)nnn3CC)C2)C1 ZINC001008438503 1222837296 /nfs/dbraw/zinc/83/72/96/1222837296.db2.gz ZSOUDSXUACECBV-HNNXBMFYSA-N 1 2 331.464 2.043 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3c(C)nnn3CC)C2)C1 ZINC001008438503 1222837303 /nfs/dbraw/zinc/83/73/03/1222837303.db2.gz ZSOUDSXUACECBV-HNNXBMFYSA-N 1 2 331.464 2.043 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001009548999 1223282022 /nfs/dbraw/zinc/28/20/22/1223282022.db2.gz BMGXPGZLFIBVOR-ZDUSSCGKSA-N 1 2 345.274 2.486 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001009548999 1223282021 /nfs/dbraw/zinc/28/20/21/1223282021.db2.gz BMGXPGZLFIBVOR-ZDUSSCGKSA-N 1 2 345.274 2.486 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)c2ccco2)C1 ZINC001009925814 1223448156 /nfs/dbraw/zinc/44/81/56/1223448156.db2.gz KZTCHBOKLNPVAX-HNNXBMFYSA-N 1 2 325.368 2.164 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)c2ccco2)C1 ZINC001009925814 1223448159 /nfs/dbraw/zinc/44/81/59/1223448159.db2.gz KZTCHBOKLNPVAX-HNNXBMFYSA-N 1 2 325.368 2.164 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)c2cncs2)C1 ZINC001010335255 1223667379 /nfs/dbraw/zinc/66/73/79/1223667379.db2.gz ZPHKTYGCPCETHF-CQSZACIVSA-N 1 2 342.424 2.028 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)c2cncs2)C1 ZINC001010335255 1223667381 /nfs/dbraw/zinc/66/73/81/1223667381.db2.gz ZPHKTYGCPCETHF-CQSZACIVSA-N 1 2 342.424 2.028 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C3=COCCC3)C2)c(F)c1 ZINC001010371617 1223686377 /nfs/dbraw/zinc/68/63/77/1223686377.db2.gz IZSAOIZQQLWRIS-MRXNPFEDSA-N 1 2 329.375 2.082 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C3=COCCC3)C2)c(F)c1 ZINC001010371617 1223686379 /nfs/dbraw/zinc/68/63/79/1223686379.db2.gz IZSAOIZQQLWRIS-MRXNPFEDSA-N 1 2 329.375 2.082 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccncc3F)C2)c(F)c1 ZINC001010420138 1223712590 /nfs/dbraw/zinc/71/25/90/1223712590.db2.gz WEEXOONCQXMZHZ-CQSZACIVSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccncc3F)C2)c(F)c1 ZINC001010420138 1223712591 /nfs/dbraw/zinc/71/25/91/1223712591.db2.gz WEEXOONCQXMZHZ-CQSZACIVSA-N 1 2 342.349 2.236 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010457523 1223729079 /nfs/dbraw/zinc/72/90/79/1223729079.db2.gz MJUYWZPHDIIZNS-ZDUSSCGKSA-N 1 2 327.388 2.002 20 30 EEEDLO CC(C)c1ocnc1C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010457523 1223729082 /nfs/dbraw/zinc/72/90/82/1223729082.db2.gz MJUYWZPHDIIZNS-ZDUSSCGKSA-N 1 2 327.388 2.002 20 30 EEEDLO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)n1cccc1 ZINC001010567996 1223787836 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ZINC001014575606 1226796245 /nfs/dbraw/zinc/79/62/45/1226796245.db2.gz BEKZUSIJPZCTJG-CQSZACIVSA-N 1 2 345.353 2.154 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)c2ccns2)C1 ZINC001014605037 1226833532 /nfs/dbraw/zinc/83/35/32/1226833532.db2.gz OEUQTIRNAWEYHN-CQSZACIVSA-N 1 2 342.424 2.028 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)c2ccns2)C1 ZINC001014605037 1226833539 /nfs/dbraw/zinc/83/35/39/1226833539.db2.gz OEUQTIRNAWEYHN-CQSZACIVSA-N 1 2 342.424 2.028 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC23CC[NH+](Cc2nnc(CC)o2)CC3)C1 ZINC001016817473 1226900938 /nfs/dbraw/zinc/90/09/38/1226900938.db2.gz LNEWTRSLCNKBQP-AWEZNQCLSA-N 1 2 344.459 2.459 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC2)n(CC)n1 ZINC001017606133 1227565323 /nfs/dbraw/zinc/56/53/23/1227565323.db2.gz NABWIHDYQYEDEH-IYBDPMFKSA-N 1 2 326.444 2.093 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC2)n(CC)n1 ZINC001017606133 1227565331 /nfs/dbraw/zinc/56/53/31/1227565331.db2.gz 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EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(F)ccc(F)c1OC ZINC001017789616 1227736528 /nfs/dbraw/zinc/73/65/28/1227736528.db2.gz ZEWYCHYBWXQIBW-BETUJISGSA-N 1 2 334.366 2.286 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(C)(C)C(=C)C)C1=O ZINC001017793956 1227739992 /nfs/dbraw/zinc/73/99/92/1227739992.db2.gz FUVQWRJDSUQPBY-IXDOHACOSA-N 1 2 345.487 2.051 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(C)(C)C(=C)C)C1=O ZINC001017793956 1227739997 /nfs/dbraw/zinc/73/99/97/1227739997.db2.gz FUVQWRJDSUQPBY-IXDOHACOSA-N 1 2 345.487 2.051 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2coc(C)c2)cc1C#N ZINC001038192723 1229683473 /nfs/dbraw/zinc/68/34/73/1229683473.db2.gz ZCXCLGPPUUUVKE-QGZVFWFLSA-N 1 2 339.395 2.473 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2coc(C)c2)cc1C#N ZINC001038192723 1229683475 /nfs/dbraw/zinc/68/34/75/1229683475.db2.gz ZCXCLGPPUUUVKE-QGZVFWFLSA-N 1 2 339.395 2.473 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc3cccn3cn2)cc1 ZINC001038394334 1229788616 /nfs/dbraw/zinc/78/86/16/1229788616.db2.gz PLBFMXIELSXFIS-GOSISDBHSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc3cccn3cn2)cc1 ZINC001038394334 1229788617 /nfs/dbraw/zinc/78/86/17/1229788617.db2.gz PLBFMXIELSXFIS-GOSISDBHSA-N 1 2 345.406 2.210 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+]2Cc2c(C)nsc2C)c1 ZINC001038685217 1229975211 /nfs/dbraw/zinc/97/52/11/1229975211.db2.gz RIPRVCOMUZJMJU-INIZCTEOSA-N 1 2 340.452 2.141 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2c(C)nsc2C)c1 ZINC001038685217 1229975215 /nfs/dbraw/zinc/97/52/15/1229975215.db2.gz RIPRVCOMUZJMJU-INIZCTEOSA-N 1 2 340.452 2.141 20 30 EEEDLO Cc1nsc(NC2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)c1C#N ZINC001067265582 1229999135 /nfs/dbraw/zinc/99/91/35/1229999135.db2.gz BFIIXPKVQRISJK-UHFFFAOYSA-N 1 2 344.444 2.013 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2c[nH]nc2C2CC2)c1 ZINC001038868572 1230122279 /nfs/dbraw/zinc/12/22/79/1230122279.db2.gz ZMKUUXYDXOLSBV-MRXNPFEDSA-N 1 2 335.411 2.163 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2c[nH]nc2C2CC2)c1 ZINC001038868572 1230122282 /nfs/dbraw/zinc/12/22/82/1230122282.db2.gz ZMKUUXYDXOLSBV-MRXNPFEDSA-N 1 2 335.411 2.163 20 30 EEEDLO Cn1ncc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c1C1CC1 ZINC001039078336 1230285980 /nfs/dbraw/zinc/28/59/80/1230285980.db2.gz UKVHZFMUOBBJNS-QGZVFWFLSA-N 1 2 349.438 2.173 20 30 EEEDLO Cn1ncc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)c1C1CC1 ZINC001039078336 1230285983 /nfs/dbraw/zinc/28/59/83/1230285983.db2.gz UKVHZFMUOBBJNS-QGZVFWFLSA-N 1 2 349.438 2.173 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)c2cc(C#N)c[nH]2)o1 ZINC001039361999 1230553003 /nfs/dbraw/zinc/55/30/03/1230553003.db2.gz IALWAMKCMDBAHP-CABCVRRESA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)c2cc(C#N)c[nH]2)o1 ZINC001039361999 1230553007 /nfs/dbraw/zinc/55/30/07/1230553007.db2.gz IALWAMKCMDBAHP-CABCVRRESA-N 1 2 339.399 2.062 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001039424205 1230601520 /nfs/dbraw/zinc/60/15/20/1230601520.db2.gz GGQHVMYIMOUYKB-RDBSUJKOSA-N 1 2 349.866 2.042 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001039424205 1230601521 /nfs/dbraw/zinc/60/15/21/1230601521.db2.gz GGQHVMYIMOUYKB-RDBSUJKOSA-N 1 2 349.866 2.042 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1CCN(C(C)C)C1=O ZINC001039822340 1230835495 /nfs/dbraw/zinc/83/54/95/1230835495.db2.gz YROPJTBLXVSDAT-IXDOHACOSA-N 1 2 347.503 2.273 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1CCN(C(C)C)C1=O ZINC001039822340 1230835498 /nfs/dbraw/zinc/83/54/98/1230835498.db2.gz YROPJTBLXVSDAT-IXDOHACOSA-N 1 2 347.503 2.273 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@]2(CC[N@H+](Cc3nnc(C)[nH]3)C2)C1 ZINC001041638128 1231633209 /nfs/dbraw/zinc/63/32/09/1231633209.db2.gz IIWWLQPMPBJTQQ-ROUUACIJSA-N 1 2 331.464 2.140 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@]2(CC[N@@H+](Cc3nnc(C)[nH]3)C2)C1 ZINC001041638128 1231633210 /nfs/dbraw/zinc/63/32/10/1231633210.db2.gz IIWWLQPMPBJTQQ-ROUUACIJSA-N 1 2 331.464 2.140 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(CC[N@@H+]([C@@H](C)c4nnc(C)[nH]4)C3)C2)C1 ZINC001041657869 1231640174 /nfs/dbraw/zinc/64/01/74/1231640174.db2.gz UEIRIJFIHQNAOY-IFXJQAMLSA-N 1 2 343.475 2.455 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(CC[N@H+]([C@@H](C)c4nnc(C)[nH]4)C3)C2)C1 ZINC001041657869 1231640176 /nfs/dbraw/zinc/64/01/76/1231640176.db2.gz UEIRIJFIHQNAOY-IFXJQAMLSA-N 1 2 343.475 2.455 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3)C[C@H]21 ZINC001042136834 1231912207 /nfs/dbraw/zinc/91/22/07/1231912207.db2.gz XABOGYQZALTDII-GDBMZVCRSA-N 1 2 347.846 2.300 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3)C[C@H]21 ZINC001042136834 1231912211 /nfs/dbraw/zinc/91/22/11/1231912211.db2.gz XABOGYQZALTDII-GDBMZVCRSA-N 1 2 347.846 2.300 20 30 EEEDLO C#CCOc1ncccc1C(=O)N(C)C1C[NH+](Cc2ccccc2)C1 ZINC001044201321 1232784853 /nfs/dbraw/zinc/78/48/53/1232784853.db2.gz CNFHXJLGFOBIIB-UHFFFAOYSA-N 1 2 335.407 2.050 20 30 EEEDLO CCN(CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ncccc1C#N ZINC001095985713 1233101189 /nfs/dbraw/zinc/10/11/89/1233101189.db2.gz SYJDNRBKWPQFNA-UHFFFAOYSA-N 1 2 348.410 2.476 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2ncoc2C)CC1 ZINC001045381795 1233707669 /nfs/dbraw/zinc/70/76/69/1233707669.db2.gz OOTJXXYHXXCFSN-UHFFFAOYSA-N 1 2 342.237 2.476 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H]2CCCCO2)CC1 ZINC001045402685 1233722651 /nfs/dbraw/zinc/72/26/51/1233722651.db2.gz VZFJKYKERHEAHO-CYBMUJFWSA-N 1 2 345.281 2.435 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCOCC2)C1 ZINC001046274667 1234619545 /nfs/dbraw/zinc/61/95/45/1234619545.db2.gz BRWDQLRTCLENLF-UKRRQHHQSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCOCC2)C1 ZINC001046274667 1234619547 /nfs/dbraw/zinc/61/95/47/1234619547.db2.gz BRWDQLRTCLENLF-UKRRQHHQSA-N 1 2 345.281 2.292 20 30 EEEDLO C[C@@]1(NC(=O)c2ccsn2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046411834 1234772394 /nfs/dbraw/zinc/77/23/94/1234772394.db2.gz FFNRHEIRNYOIBY-QGZVFWFLSA-N 1 2 326.425 2.409 20 30 EEEDLO C[C@@]1(NC(=O)c2ccsn2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046411834 1234772390 /nfs/dbraw/zinc/77/23/90/1234772390.db2.gz FFNRHEIRNYOIBY-QGZVFWFLSA-N 1 2 326.425 2.409 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3nc(C)cs3)C2)c1 ZINC001046607836 1234991417 /nfs/dbraw/zinc/99/14/17/1234991417.db2.gz UHYQOKBMECCRJR-SFHVURJKSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@H+](Cc3nc(C)cs3)C2)c1 ZINC001046607836 1234991421 /nfs/dbraw/zinc/99/14/21/1234991421.db2.gz UHYQOKBMECCRJR-SFHVURJKSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ncc(C)s3)C2)nc1 ZINC001046780713 1235178844 /nfs/dbraw/zinc/17/88/44/1235178844.db2.gz AGVHHXPPNULROD-SFHVURJKSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ncc(C)s3)C2)nc1 ZINC001046780713 1235178845 /nfs/dbraw/zinc/17/88/45/1235178845.db2.gz AGVHHXPPNULROD-SFHVURJKSA-N 1 2 340.452 2.222 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001046831968 1235229717 /nfs/dbraw/zinc/22/97/17/1235229717.db2.gz TVRLZVBKSIIXLH-QGZVFWFLSA-N 1 2 346.818 2.282 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001046831968 1235229718 /nfs/dbraw/zinc/22/97/18/1235229718.db2.gz TVRLZVBKSIIXLH-QGZVFWFLSA-N 1 2 346.818 2.282 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2[nH]cnc2CC)C1 ZINC001046992420 1235403864 /nfs/dbraw/zinc/40/38/64/1235403864.db2.gz UWWKDFIRGYOJFE-NSHDSACASA-N 1 2 346.809 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2[nH]cnc2CC)C1 ZINC001046992420 1235403870 /nfs/dbraw/zinc/40/38/70/1235403870.db2.gz UWWKDFIRGYOJFE-NSHDSACASA-N 1 2 346.809 2.412 20 30 EEEDLO C=C(C)CCC(=O)NCC[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC001096288196 1237126247 /nfs/dbraw/zinc/12/62/47/1237126247.db2.gz CNQQFRFQWGUVID-UHFFFAOYSA-N 1 2 342.443 2.422 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC[NH+]1CCN(c2cccc(F)n2)CC1 ZINC001096288774 1237133437 /nfs/dbraw/zinc/13/34/37/1237133437.db2.gz XXAIOSSZMHZELS-UHFFFAOYSA-N 1 2 346.450 2.227 20 30 EEEDLO CCCC(C)(C)C(=O)NCC[NH+]1CCN(c2ccncc2C#N)CC1 ZINC001096304837 1237255695 /nfs/dbraw/zinc/25/56/95/1237255695.db2.gz ZNZAVZOYXRAJJZ-UHFFFAOYSA-N 1 2 343.475 2.018 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001056430298 1239368296 /nfs/dbraw/zinc/36/82/96/1239368296.db2.gz PAAUNJDVNIFSHJ-HZPDHXFCSA-N 1 2 344.459 2.291 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](Nc4ccc(C#N)cn4)C3)ccn12 ZINC001056708135 1239700122 /nfs/dbraw/zinc/70/01/22/1239700122.db2.gz OUYDHBSWYCYRTQ-MRXNPFEDSA-N 1 2 346.394 2.236 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001056712150 1239707381 /nfs/dbraw/zinc/70/73/81/1239707381.db2.gz OUFPCCKCRPUOCK-DLBZAZTESA-N 1 2 344.459 2.079 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC1CC(CNc2cc[nH+]c(C)n2)C1 ZINC001067859410 1249791162 /nfs/dbraw/zinc/79/11/62/1249791162.db2.gz SFHMXFPOIBWAHW-UHFFFAOYSA-N 1 2 334.423 2.316 20 30 EEEDLO Cc1cc(N2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC001049248755 1240378904 /nfs/dbraw/zinc/37/89/04/1240378904.db2.gz LZJLDJPZTJAKGT-IMJJTQAJSA-N 1 2 341.459 2.353 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1coc(C2CC2)n1 ZINC001049373559 1240715152 /nfs/dbraw/zinc/71/51/52/1240715152.db2.gz VBKDTJXCFOOUDI-UHOFOFEASA-N 1 2 328.416 2.277 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1coc(C2CC2)n1 ZINC001049373559 1240715158 /nfs/dbraw/zinc/71/51/58/1240715158.db2.gz VBKDTJXCFOOUDI-UHOFOFEASA-N 1 2 328.416 2.277 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cn(C3CCC3)nn2)CC1 ZINC001000686368 1240735303 /nfs/dbraw/zinc/73/53/03/1240735303.db2.gz KKUPCBUOFAQXNN-UHFFFAOYSA-N 1 2 335.839 2.118 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cn(C3CCC3)nn2)CC1 ZINC001000686368 1240735308 /nfs/dbraw/zinc/73/53/08/1240735308.db2.gz KKUPCBUOFAQXNN-UHFFFAOYSA-N 1 2 335.839 2.118 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@@H]2CO[C@H](C)C2)CC1 ZINC001000861203 1241072622 /nfs/dbraw/zinc/07/26/22/1241072622.db2.gz JTIOJWHOGMONIN-OCCSQVGLSA-N 1 2 343.265 2.068 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CO[C@H](C)C2)CC1 ZINC001000861203 1241072631 /nfs/dbraw/zinc/07/26/31/1241072631.db2.gz JTIOJWHOGMONIN-OCCSQVGLSA-N 1 2 343.265 2.068 20 30 EEEDLO C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1n[nH]c(C(F)(F)F)c1C ZINC001049765040 1242128471 /nfs/dbraw/zinc/12/84/71/1242128471.db2.gz GDRHXPQPLNEUMK-NWDGAFQWSA-N 1 2 340.349 2.049 20 30 EEEDLO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1n[nH]c(C(F)(F)F)c1C ZINC001049765040 1242128474 /nfs/dbraw/zinc/12/84/74/1242128474.db2.gz GDRHXPQPLNEUMK-NWDGAFQWSA-N 1 2 340.349 2.049 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccon1 ZINC001049777054 1242159083 /nfs/dbraw/zinc/15/90/83/1242159083.db2.gz GEVLFRJIEBPMDG-XSLAGTTESA-N 1 2 345.443 2.221 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccon1 ZINC001049777054 1242159086 /nfs/dbraw/zinc/15/90/86/1242159086.db2.gz GEVLFRJIEBPMDG-XSLAGTTESA-N 1 2 345.443 2.221 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2c(C)cncc2C)C1 ZINC001073697047 1242666534 /nfs/dbraw/zinc/66/65/34/1242666534.db2.gz XEDSLHNAHOWKPN-OAHLLOKOSA-N 1 2 337.851 2.272 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2c(C)cncc2C)C1 ZINC001073697047 1242666543 /nfs/dbraw/zinc/66/65/43/1242666543.db2.gz XEDSLHNAHOWKPN-OAHLLOKOSA-N 1 2 337.851 2.272 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1nn(CC)nc1C ZINC001049937239 1242787647 /nfs/dbraw/zinc/78/76/47/1242787647.db2.gz QVJNOJHOVQBULK-ZIAGYGMSSA-N 1 2 337.855 2.038 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1nn(CC)nc1C ZINC001049937239 1242787658 /nfs/dbraw/zinc/78/76/58/1242787658.db2.gz QVJNOJHOVQBULK-ZIAGYGMSSA-N 1 2 337.855 2.038 20 30 EEEDLO C=CCCCC(=O)NC[C@H](Nc1[nH+]cnc2c1cnn2C)C1CC1 ZINC001096798026 1243279233 /nfs/dbraw/zinc/27/92/33/1243279233.db2.gz XCFSULDUDCYXBP-AWEZNQCLSA-N 1 2 328.420 2.026 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCO2)C3)c1 ZINC001096769690 1243299804 /nfs/dbraw/zinc/29/98/04/1243299804.db2.gz BXBFXFMLWQEWHZ-NRSFXHEJSA-N 1 2 343.402 2.098 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCO2)C3)c1 ZINC001096769690 1243299810 /nfs/dbraw/zinc/29/98/10/1243299810.db2.gz BXBFXFMLWQEWHZ-NRSFXHEJSA-N 1 2 343.402 2.098 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2C[C@H](Nc3nc(N(C)C)nc(C)[nH+]3)C2)CC1 ZINC001097098024 1243674780 /nfs/dbraw/zinc/67/47/80/1243674780.db2.gz DLUJEXCYKJFLAK-HDJSIYSDSA-N 1 2 344.463 2.052 20 30 EEEDLO Cc1nc(N2CC[C@H]3[C@@H](CCCN3C(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001097138207 1243754714 /nfs/dbraw/zinc/75/47/14/1243754714.db2.gz VUGNGSWNNPPYIE-IRXDYDNUSA-N 1 2 326.444 2.262 20 30 EEEDLO C=CCCOCC(=O)N1CCC[C@H]2CN(c3cc[nH+]c(C)n3)CC[C@H]21 ZINC001097139700 1243757230 /nfs/dbraw/zinc/75/72/30/1243757230.db2.gz LQOXVTMBJIHNKH-DLBZAZTESA-N 1 2 344.459 2.195 20 30 EEEDLO N#Cc1ccc(NC2CCC(NC(=O)CCc3[nH]cc[nH+]3)CC2)nc1 ZINC001097621567 1244432824 /nfs/dbraw/zinc/43/28/24/1244432824.db2.gz BYSKUXRBHMYWQS-UHFFFAOYSA-N 1 2 338.415 2.148 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050894013 1244569125 /nfs/dbraw/zinc/56/91/25/1244569125.db2.gz ZNLGXGDHCHDDAF-GJZGRUSLSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050894013 1244569131 /nfs/dbraw/zinc/56/91/31/1244569131.db2.gz ZNLGXGDHCHDDAF-GJZGRUSLSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C2CC2)n(CC)n1 ZINC001050948396 1244696144 /nfs/dbraw/zinc/69/61/44/1244696144.db2.gz IDWKOIMYEHBFNE-MRXNPFEDSA-N 1 2 346.475 2.177 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C2CC2)n(CC)n1 ZINC001050948396 1244696157 /nfs/dbraw/zinc/69/61/57/1244696157.db2.gz IDWKOIMYEHBFNE-MRXNPFEDSA-N 1 2 346.475 2.177 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001051134435 1245026317 /nfs/dbraw/zinc/02/63/17/1245026317.db2.gz WGKVTRYHJXPYON-GFCCVEGCSA-N 1 2 328.334 2.111 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001051134435 1245026323 /nfs/dbraw/zinc/02/63/23/1245026323.db2.gz WGKVTRYHJXPYON-GFCCVEGCSA-N 1 2 328.334 2.111 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(-c2cn[nH]c2)cc1 ZINC001051162866 1245068372 /nfs/dbraw/zinc/06/83/72/1245068372.db2.gz YFPNXHCPZBWPON-SFHVURJKSA-N 1 2 340.427 2.083 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(-c2cn[nH]c2)cc1 ZINC001051162866 1245068377 /nfs/dbraw/zinc/06/83/77/1245068377.db2.gz YFPNXHCPZBWPON-SFHVURJKSA-N 1 2 340.427 2.083 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2n[nH]nc2-c2ccccc2)CC1 ZINC001052960308 1245559680 /nfs/dbraw/zinc/55/96/80/1245559680.db2.gz RLLWLMOMWFOXMK-INIZCTEOSA-N 1 2 337.427 2.079 20 30 EEEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2n[nH]nc2-c2ccccc2)CC1 ZINC001052960308 1245559688 /nfs/dbraw/zinc/55/96/88/1245559688.db2.gz RLLWLMOMWFOXMK-INIZCTEOSA-N 1 2 337.427 2.079 20 30 EEEDLO CCCN(CCNC(=O)C[C@H](C)n1cc[nH+]c1)c1ncccc1C#N ZINC001101246935 1245567390 /nfs/dbraw/zinc/56/73/90/1245567390.db2.gz KPRYJSDZMWXIGN-HNNXBMFYSA-N 1 2 340.431 2.134 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001053076321 1245832342 /nfs/dbraw/zinc/83/23/42/1245832342.db2.gz XZHCHMSLBSKEFP-HOTGVXAUSA-N 1 2 346.475 2.086 20 30 EEEDLO CC(C)(CNCC#N)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001101590305 1245996444 /nfs/dbraw/zinc/99/64/44/1245996444.db2.gz KHSIGXZYDAZLSP-UHFFFAOYSA-N 1 2 331.464 2.065 20 30 EEEDLO C#CCCCCC(=O)NC[C@@H]1C[N@H+]([C@@H](C)c2csnn2)C[C@H]1C ZINC001101893491 1246239915 /nfs/dbraw/zinc/23/99/15/1246239915.db2.gz CRGJBMSVDWDTOH-QLFBSQMISA-N 1 2 334.489 2.477 20 30 EEEDLO C#CCCCCC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)c2csnn2)C[C@H]1C ZINC001101893491 1246239924 /nfs/dbraw/zinc/23/99/24/1246239924.db2.gz CRGJBMSVDWDTOH-QLFBSQMISA-N 1 2 334.489 2.477 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CC(C)(C)C3CC3)C2)CC1 ZINC001052024545 1246387361 /nfs/dbraw/zinc/38/73/61/1246387361.db2.gz GMMAFHPSMWBFCK-GOSISDBHSA-N 1 2 331.504 2.055 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3CCCCCCC3)C2)CC1 ZINC001052049246 1246420091 /nfs/dbraw/zinc/42/00/91/1246420091.db2.gz KFHQZRQYAWMBHR-LJQANCHMSA-N 1 2 331.504 2.199 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC001052063544 1246434443 /nfs/dbraw/zinc/43/44/43/1246434443.db2.gz VQUFNSMRCLQPNN-CQSZACIVSA-N 1 2 347.425 2.370 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCC3(C)C)C2)CC1 ZINC001052067856 1246440262 /nfs/dbraw/zinc/44/02/62/1246440262.db2.gz PVDICGWXOOCBTK-QZTJIDSGSA-N 1 2 331.504 2.055 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)C3(C)CC(=C)C3)C2)CC1 ZINC001052081154 1246458332 /nfs/dbraw/zinc/45/83/32/1246458332.db2.gz JNPOPMFJDHWCPX-INIZCTEOSA-N 1 2 337.895 2.314 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C)cc3Cl)C2)CC1 ZINC001052086751 1246465631 /nfs/dbraw/zinc/46/56/31/1246465631.db2.gz HIONOVWGSHNBKP-INIZCTEOSA-N 1 2 345.874 2.114 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)CC3CCCC3)C2)CC1 ZINC001052092790 1246471237 /nfs/dbraw/zinc/47/12/37/1246471237.db2.gz ILDLMLLQOFHLTJ-UYAOXDASSA-N 1 2 345.531 2.445 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3(CC)CCCC3)C2)CC1 ZINC001052103796 1246483000 /nfs/dbraw/zinc/48/30/00/1246483000.db2.gz UPBSALWRLNOHIB-GOSISDBHSA-N 1 2 331.504 2.199 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C(C3CC3)C3CC3)C2)CC1 ZINC001052106937 1246487790 /nfs/dbraw/zinc/48/77/90/1246487790.db2.gz XBRAJVULMVLXKM-GOSISDBHSA-N 1 2 331.504 2.217 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(OC)cc3)C2)CC1 ZINC001052112276 1246493453 /nfs/dbraw/zinc/49/34/53/1246493453.db2.gz QYOLUQVWBQVCHK-GOSISDBHSA-N 1 2 343.471 2.103 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(C)cc3)C2)CC1 ZINC001052111906 1246493560 /nfs/dbraw/zinc/49/35/60/1246493560.db2.gz GXEMEHQGWBPINC-IBGZPJMESA-N 1 2 327.472 2.403 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(C4CC4)c3)C2)CC1 ZINC001052121885 1246506312 /nfs/dbraw/zinc/50/63/12/1246506312.db2.gz JKRXAFYFMDJHRB-FQEVSTJZSA-N 1 2 337.467 2.029 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCCC3(C)C)C2)CC1 ZINC001052123592 1246509649 /nfs/dbraw/zinc/50/96/49/1246509649.db2.gz JTVCSBQHIAGARJ-RBUKOAKNSA-N 1 2 345.531 2.445 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3cc[nH]c3n1)O2 ZINC001053613903 1246534712 /nfs/dbraw/zinc/53/47/12/1246534712.db2.gz CIMARRLGYYVMDU-HNNXBMFYSA-N 1 2 340.427 2.102 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c3c[nH]nc3ccc1C)O2 ZINC001053620555 1246544643 /nfs/dbraw/zinc/54/46/43/1246544643.db2.gz OSCIVVRFHURQOS-CQSZACIVSA-N 1 2 340.427 2.021 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1scnc1C(F)F)O2 ZINC001053631512 1246561509 /nfs/dbraw/zinc/56/15/09/1246561509.db2.gz YYXRISCXRLKIBY-JTQLQIEISA-N 1 2 343.399 2.230 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn(C(C)C)cn1)O2 ZINC001053637490 1246571573 /nfs/dbraw/zinc/57/15/73/1246571573.db2.gz ALRNWCBNCFYKQH-HNNXBMFYSA-N 1 2 332.448 2.003 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc3n[nH]cc3c1)O2 ZINC001053654706 1246596742 /nfs/dbraw/zinc/59/67/42/1246596742.db2.gz UMUMEBZAWPBINP-MRXNPFEDSA-N 1 2 340.427 2.102 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C(C)C)cn1)O2 ZINC001053660351 1246605585 /nfs/dbraw/zinc/60/55/85/1246605585.db2.gz KFIOANMJWACXAC-MRXNPFEDSA-N 1 2 329.444 2.354 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1oc(C(C)C)nc1C)O2 ZINC001053673383 1246624529 /nfs/dbraw/zinc/62/45/29/1246624529.db2.gz CBKAZSDXCOZZPX-AWEZNQCLSA-N 1 2 333.432 2.256 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3ncsc3c1)O2 ZINC001053694372 1246666454 /nfs/dbraw/zinc/66/64/54/1246666454.db2.gz MUJKTJOFCGJYIJ-AWEZNQCLSA-N 1 2 343.452 2.446 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc3n(c1)CCCC3)O2 ZINC001053707749 1246687706 /nfs/dbraw/zinc/68/77/06/1246687706.db2.gz OJYJBVKCBJLVDG-GOSISDBHSA-N 1 2 343.471 2.364 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cncc(Cl)c1C)CO2 ZINC001053834034 1246872369 /nfs/dbraw/zinc/87/23/69/1246872369.db2.gz AMCXGALDPOIXQL-ZDUSSCGKSA-N 1 2 335.835 2.193 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(Cl)c(F)c1)CO2 ZINC001053936128 1247033009 /nfs/dbraw/zinc/03/30/09/1247033009.db2.gz DMXDYWSDCNVKSJ-ZDUSSCGKSA-N 1 2 336.794 2.076 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3cc(F)ccc3o1)CO2 ZINC001053943099 1247044192 /nfs/dbraw/zinc/04/41/92/1247044192.db2.gz YOIUCLOXHICVBS-HNNXBMFYSA-N 1 2 342.370 2.168 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C13CCC(CC1)C3(C)C)CO2 ZINC001053947994 1247052755 /nfs/dbraw/zinc/05/27/55/1247052755.db2.gz DILMIUFHDBRFOL-NGEICVOHSA-N 1 2 330.472 2.186 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CCc3ccccc31)CO2 ZINC001053960749 1247072312 /nfs/dbraw/zinc/07/23/12/1247072312.db2.gz HNVIPMFAISGRLE-ZWKOTPCHSA-N 1 2 338.451 2.089 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3c(c1)CCC3)CO2 ZINC001054004036 1247137420 /nfs/dbraw/zinc/13/74/20/1247137420.db2.gz FUNQMGIPWREVOP-SFHVURJKSA-N 1 2 326.440 2.325 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)c1ccccc1C)CO2 ZINC001054013224 1247147208 /nfs/dbraw/zinc/14/72/08/1247147208.db2.gz QTTHPDPOCVJVKV-DLBZAZTESA-N 1 2 326.440 2.081 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)c1ccc(F)cc1F)CO2 ZINC001054013787 1247148379 /nfs/dbraw/zinc/14/83/79/1247148379.db2.gz BKHOBCQLFJFCLX-DZGCQCFKSA-N 1 2 348.393 2.051 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1ccnc1C)C2 ZINC001054240733 1247833919 /nfs/dbraw/zinc/83/39/19/1247833919.db2.gz AEVSSIAPYRLOAA-KRWDZBQOSA-N 1 2 336.867 2.259 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1ccnc1C)C2 ZINC001054240733 1247833937 /nfs/dbraw/zinc/83/39/37/1247833937.db2.gz AEVSSIAPYRLOAA-KRWDZBQOSA-N 1 2 336.867 2.259 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3occ4c3CCOC4)cc2C1 ZINC001054275928 1247979028 /nfs/dbraw/zinc/97/90/28/1247979028.db2.gz IFZWGBGPUNTPHT-UHFFFAOYSA-N 1 2 336.391 2.231 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3occ4c3CCOC4)cc2C1 ZINC001054275928 1247979038 /nfs/dbraw/zinc/97/90/38/1247979038.db2.gz IFZWGBGPUNTPHT-UHFFFAOYSA-N 1 2 336.391 2.231 20 30 EEEDLO C#Cc1cncc(C(=O)NC2CCN(c3nc(C)[nH+]c(C)c3C)CC2)c1 ZINC001057943231 1248153049 /nfs/dbraw/zinc/15/30/49/1248153049.db2.gz RVDSRIRYZGPGGT-UHFFFAOYSA-N 1 2 349.438 2.177 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CN(c3cc[nH+]c(C)n3)CC2(C)C)cc1 ZINC001068132527 1250398012 /nfs/dbraw/zinc/39/80/12/1250398012.db2.gz LOYMITDXWGBIMU-KRWDZBQOSA-N 1 2 334.423 2.411 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001068143173 1250422805 /nfs/dbraw/zinc/42/28/05/1250422805.db2.gz PFJYBROMGWZOCC-MRXNPFEDSA-N 1 2 339.443 2.417 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C)n1 ZINC001068971613 1252023114 /nfs/dbraw/zinc/02/31/14/1252023114.db2.gz LIWVRKJNPAIIDD-CJNGLKHVSA-N 1 2 338.415 2.019 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C)n1 ZINC001068971613 1252023121 /nfs/dbraw/zinc/02/31/21/1252023121.db2.gz LIWVRKJNPAIIDD-CJNGLKHVSA-N 1 2 338.415 2.019 20 30 EEEDLO C=CCCCC(=O)N1CCC(CC)(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001069573970 1253030422 /nfs/dbraw/zinc/03/04/22/1253030422.db2.gz HEXMPUUKRWXTEM-UHFFFAOYSA-N 1 2 346.475 2.206 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001070675928 1253721818 /nfs/dbraw/zinc/72/18/18/1253721818.db2.gz CBHYCMAUBIUWIW-LSDHHAIUSA-N 1 2 332.448 2.052 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3C#N)C2)ncn1 ZINC001071438231 1254183499 /nfs/dbraw/zinc/18/34/99/1254183499.db2.gz NYPVXMGRYRWHOH-CRAIPNDOSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ccccc3C#N)C2)ncn1 ZINC001071438231 1254183502 /nfs/dbraw/zinc/18/35/02/1254183502.db2.gz NYPVXMGRYRWHOH-CRAIPNDOSA-N 1 2 349.438 2.440 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnc(Cl)n2C)CC[C@H]1C ZINC001071677691 1254500613 /nfs/dbraw/zinc/50/06/13/1254500613.db2.gz VQWPETFDWGZBQN-GHMZBOCLSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnc(Cl)n2C)CC[C@H]1C ZINC001071677691 1254500626 /nfs/dbraw/zinc/50/06/26/1254500626.db2.gz VQWPETFDWGZBQN-GHMZBOCLSA-N 1 2 331.247 2.409 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)c2cnco2)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001071717136 1254562614 /nfs/dbraw/zinc/56/26/14/1254562614.db2.gz BAGGNYDIJXOYOZ-DOMZBBRYSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)c2cnco2)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001071717136 1254562619 /nfs/dbraw/zinc/56/26/19/1254562619.db2.gz BAGGNYDIJXOYOZ-DOMZBBRYSA-N 1 2 342.374 2.468 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2nnn(CC)c2CC)CC[C@H]1C ZINC001071825099 1254684672 /nfs/dbraw/zinc/68/46/72/1254684672.db2.gz RAMDNOULQNADDH-CHWSQXEVSA-N 1 2 339.871 2.196 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2nnn(CC)c2CC)CC[C@H]1C ZINC001071825099 1254684694 /nfs/dbraw/zinc/68/46/94/1254684694.db2.gz RAMDNOULQNADDH-CHWSQXEVSA-N 1 2 339.871 2.196 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)c3nccs3)C2)C1 ZINC001073072462 1255642857 /nfs/dbraw/zinc/64/28/57/1255642857.db2.gz PKMXHTXWLRZCMP-UHFFFAOYSA-N 1 2 342.262 2.200 20 30 EEEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)c3nccs3)C2)C1 ZINC001073072462 1255642861 /nfs/dbraw/zinc/64/28/61/1255642861.db2.gz PKMXHTXWLRZCMP-UHFFFAOYSA-N 1 2 342.262 2.200 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCC(C)(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001073206043 1255788637 /nfs/dbraw/zinc/78/86/37/1255788637.db2.gz ZBZVSLOXCFJKRW-CQSZACIVSA-N 1 2 346.475 2.360 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3ccsc3)C[C@H]21 ZINC001074266681 1256839212 /nfs/dbraw/zinc/83/92/12/1256839212.db2.gz PCKKYEMZFFHCAM-IAGOWNOFSA-N 1 2 332.469 2.006 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3ccsc3)C[C@H]21 ZINC001074266681 1256839223 /nfs/dbraw/zinc/83/92/23/1256839223.db2.gz PCKKYEMZFFHCAM-IAGOWNOFSA-N 1 2 332.469 2.006 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)oc(C)c3C)C[C@H]21 ZINC001074292413 1256869278 /nfs/dbraw/zinc/86/92/78/1256869278.db2.gz UWTXEYKDWVIORV-IAGOWNOFSA-N 1 2 330.428 2.143 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)oc(C)c3C)C[C@H]21 ZINC001074292413 1256869287 /nfs/dbraw/zinc/86/92/87/1256869287.db2.gz UWTXEYKDWVIORV-IAGOWNOFSA-N 1 2 330.428 2.143 20 30 EEEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3sccc3OC)C[C@@H]21 ZINC001074384986 1256964732 /nfs/dbraw/zinc/96/47/32/1256964732.db2.gz PWXTVFHPYDOWAB-KBPBESRZSA-N 1 2 336.457 2.248 20 30 EEEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3sccc3OC)C[C@@H]21 ZINC001074384986 1256964735 /nfs/dbraw/zinc/96/47/35/1256964735.db2.gz PWXTVFHPYDOWAB-KBPBESRZSA-N 1 2 336.457 2.248 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C34CCC(CC3)CC4)C[C@H]21 ZINC001074409963 1256994974 /nfs/dbraw/zinc/99/49/74/1256994974.db2.gz KMHNSAXQFRBZKZ-NNVNDSJASA-N 1 2 330.472 2.282 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C34CCC(CC3)CC4)C[C@H]21 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O=C(N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1)C1(CF)CC1 ZINC000981929386 778552090 /nfs/dbraw/zinc/55/20/90/778552090.db2.gz UPBMYUOUUZWJAH-UHFFFAOYSA-N 1 2 332.394 2.461 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cnnc2)cc1 ZINC001028201219 778881244 /nfs/dbraw/zinc/88/12/44/778881244.db2.gz XDTGTKFEYPHUAN-MRXNPFEDSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cnnc2)cc1 ZINC001028201219 778881247 /nfs/dbraw/zinc/88/12/47/778881247.db2.gz XDTGTKFEYPHUAN-MRXNPFEDSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ccon2)C(C)(C)C1 ZINC000940593200 778963017 /nfs/dbraw/zinc/96/30/17/778963017.db2.gz HEVCYGZSRDGIGZ-GFCCVEGCSA-N 1 2 342.237 2.414 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ccon2)C(C)(C)C1 ZINC000940593200 778963021 /nfs/dbraw/zinc/96/30/21/778963021.db2.gz HEVCYGZSRDGIGZ-GFCCVEGCSA-N 1 2 342.237 2.414 20 30 EEEDLO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)no1 ZINC000940659265 779074331 /nfs/dbraw/zinc/07/43/31/779074331.db2.gz VENHZYMFQGBWPZ-MRXNPFEDSA-N 1 2 341.415 2.213 20 30 EEEDLO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)no1 ZINC000940659265 779074334 /nfs/dbraw/zinc/07/43/34/779074334.db2.gz VENHZYMFQGBWPZ-MRXNPFEDSA-N 1 2 341.415 2.213 20 30 EEEDLO N#Cc1ncc(NC(=[NH2+])c2ccc(C(N)=O)cc2)cc1C(F)(F)F ZINC001171255934 790716925 /nfs/dbraw/zinc/71/69/25/790716925.db2.gz BQVHZGBQJQKQNO-UHFFFAOYSA-N 1 2 333.273 2.108 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@]2(C)C[N@H+](Cc3cnns3)C[C@]2(C)C1 ZINC000982431283 780146689 /nfs/dbraw/zinc/14/66/89/780146689.db2.gz HSXAVWUDZKERCR-CALCHBBNSA-N 1 2 334.489 2.421 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@]2(C)C[N@@H+](Cc3cnns3)C[C@]2(C)C1 ZINC000982431283 780146695 /nfs/dbraw/zinc/14/66/95/780146695.db2.gz HSXAVWUDZKERCR-CALCHBBNSA-N 1 2 334.489 2.421 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000941529565 780668494 /nfs/dbraw/zinc/66/84/94/780668494.db2.gz PZRHJBROAXUHHY-AUUYWEPGSA-N 1 2 340.427 2.267 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCO2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087494695 781452716 /nfs/dbraw/zinc/45/27/16/781452716.db2.gz DEZXTOBFYOIMPD-RCCFBDPRSA-N 1 2 345.418 2.345 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCO2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087494695 781452724 /nfs/dbraw/zinc/45/27/24/781452724.db2.gz DEZXTOBFYOIMPD-RCCFBDPRSA-N 1 2 345.418 2.345 20 30 EEEDLO C=CCOc1ccc(C(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)cc1 ZINC001030541657 790901347 /nfs/dbraw/zinc/90/13/47/790901347.db2.gz VQJWWBVILGERCX-GOSISDBHSA-N 1 2 330.428 2.235 20 30 EEEDLO CC(C)Cc1nc(C[NH2+][C@H]2CCCCCN(C(=O)[C@H](C)C#N)C2)no1 ZINC001088279061 783342945 /nfs/dbraw/zinc/34/29/45/783342945.db2.gz JHGFMTJYDYNDSL-CABCVRRESA-N 1 2 347.463 2.289 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC001131895265 783452079 /nfs/dbraw/zinc/45/20/79/783452079.db2.gz HVYHJLWLLFMKSL-WMLDXEAASA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC001131895265 783452084 /nfs/dbraw/zinc/45/20/84/783452084.db2.gz HVYHJLWLLFMKSL-WMLDXEAASA-N 1 2 347.503 2.227 20 30 EEEDLO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F)NC(=O)c1[nH]ncc1F ZINC001135408421 783722386 /nfs/dbraw/zinc/72/23/86/783722386.db2.gz XHVQDCUJHAJVPD-GHMZBOCLSA-N 1 2 347.369 2.246 20 30 EEEDLO Cc1nc([C@H](C)[N@@H+]2CCC3(C2)CCN(C(=O)C#CC2CC2)CC3)no1 ZINC001035183805 784018528 /nfs/dbraw/zinc/01/85/28/784018528.db2.gz WAJXBDOFNOLUHU-AWEZNQCLSA-N 1 2 342.443 2.167 20 30 EEEDLO Cc1nc([C@H](C)[N@H+]2CCC3(C2)CCN(C(=O)C#CC2CC2)CC3)no1 ZINC001035183805 784018535 /nfs/dbraw/zinc/01/85/35/784018535.db2.gz WAJXBDOFNOLUHU-AWEZNQCLSA-N 1 2 342.443 2.167 20 30 EEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccsc1C#N ZINC000907068053 784364642 /nfs/dbraw/zinc/36/46/42/784364642.db2.gz FBJAUGMCGLOPOF-UHFFFAOYSA-N 1 2 328.397 2.412 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3ccncc3s2)C1 ZINC001035395045 784438868 /nfs/dbraw/zinc/43/88/68/784438868.db2.gz SZTICRWVTGEDSH-AWEZNQCLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc3ccncc3s2)C1 ZINC001035395045 784438872 /nfs/dbraw/zinc/43/88/72/784438872.db2.gz SZTICRWVTGEDSH-AWEZNQCLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001035400186 784446283 /nfs/dbraw/zinc/44/62/83/784446283.db2.gz LZYVNAXLDIQWPC-QRVBRYPASA-N 1 2 344.455 2.157 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001035400186 784446286 /nfs/dbraw/zinc/44/62/86/784446286.db2.gz LZYVNAXLDIQWPC-QRVBRYPASA-N 1 2 344.455 2.157 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001035532325 784688518 /nfs/dbraw/zinc/68/85/18/784688518.db2.gz FVJQCGGPBBDOAW-AWEZNQCLSA-N 1 2 338.835 2.355 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001035532325 784688522 /nfs/dbraw/zinc/68/85/22/784688522.db2.gz FVJQCGGPBBDOAW-AWEZNQCLSA-N 1 2 338.835 2.355 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc3c(s2)CCCCC3)C1 ZINC001035596892 784751396 /nfs/dbraw/zinc/75/13/96/784751396.db2.gz HUFXDZPKCGEWGN-INIZCTEOSA-N 1 2 346.496 2.471 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc3c(s2)CCCCC3)C1 ZINC001035596892 784751401 /nfs/dbraw/zinc/75/14/01/784751401.db2.gz HUFXDZPKCGEWGN-INIZCTEOSA-N 1 2 346.496 2.471 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2sc(CCC)nc2C)C1 ZINC001035605338 784767074 /nfs/dbraw/zinc/76/70/74/784767074.db2.gz ZHBKKOOOVXXNAD-AWEZNQCLSA-N 1 2 337.489 2.411 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2sc(CCC)nc2C)C1 ZINC001035605338 784767085 /nfs/dbraw/zinc/76/70/85/784767085.db2.gz ZHBKKOOOVXXNAD-AWEZNQCLSA-N 1 2 337.489 2.411 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C23CC(C(F)(F)F)(C2)C3)C1 ZINC001035613083 784851148 /nfs/dbraw/zinc/85/11/48/784851148.db2.gz CNTXYZCVIGBDBW-LRVUVFPRSA-N 1 2 332.366 2.112 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C23CC(C(F)(F)F)(C2)C3)C1 ZINC001035613083 784851153 /nfs/dbraw/zinc/85/11/53/784851153.db2.gz CNTXYZCVIGBDBW-LRVUVFPRSA-N 1 2 332.366 2.112 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(F)(F)C(F)F)nc1 ZINC001135958172 784893420 /nfs/dbraw/zinc/89/34/20/784893420.db2.gz DIWBIMCPSPDHJB-QWRGUYRKSA-N 1 2 345.340 2.450 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC2(C[NH+](Cc3nc4ccccc4o3)C2)CC1 ZINC001035674220 784916007 /nfs/dbraw/zinc/91/60/07/784916007.db2.gz SZVKJZRACOODIN-AWEZNQCLSA-N 1 2 338.411 2.412 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cnn3ccncc13)CC2 ZINC001035722015 785018584 /nfs/dbraw/zinc/01/85/84/785018584.db2.gz KNYAVSXFMUKPJI-UHFFFAOYSA-N 1 2 345.834 2.020 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccccc1OC[C@@H]1CCCCO1 ZINC000819428258 785558858 /nfs/dbraw/zinc/55/88/58/785558858.db2.gz YEFPGEAFXPLFHV-IRXDYDNUSA-N 1 2 347.459 2.253 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccccc1OC[C@@H]1CCCCO1 ZINC000819428258 785558863 /nfs/dbraw/zinc/55/88/63/785558863.db2.gz YEFPGEAFXPLFHV-IRXDYDNUSA-N 1 2 347.459 2.253 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C(C)(C)C3CCC3)nn2)C1 ZINC001107189966 786294259 /nfs/dbraw/zinc/29/42/59/786294259.db2.gz KEAJONYZNLPSMH-UHFFFAOYSA-N 1 2 331.464 2.153 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@H]3CC[C@H](C)C3)nn2)C1 ZINC001107192306 786315661 /nfs/dbraw/zinc/31/56/61/786315661.db2.gz FZMAQNAMLFAEJD-GJZGRUSLSA-N 1 2 331.464 2.153 20 30 EEEDLO Cc1nc(NCCCN(C)C(=O)c2cccc3[nH+]ccn32)ccc1C#N ZINC001109564870 805687942 /nfs/dbraw/zinc/68/79/42/805687942.db2.gz MPNPGHKHOSQEQU-UHFFFAOYSA-N 1 2 348.410 2.484 20 30 EEEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@@H](C)CCCCC)nn2)C1 ZINC001107215147 786453473 /nfs/dbraw/zinc/45/34/73/786453473.db2.gz BUKNQXIIQPHPEY-INIZCTEOSA-N 1 2 345.491 2.381 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)[C@H](C)C(C)(C)C)nn2)C1 ZINC001107218627 786473849 /nfs/dbraw/zinc/47/38/49/786473849.db2.gz HPQMBZIEZHZZMG-KBPBESRZSA-N 1 2 333.480 2.255 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3(C4CCCCC4)CC3)nn2)C1 ZINC001107233739 786550089 /nfs/dbraw/zinc/55/00/89/786550089.db2.gz PUNODFLSPOVGEI-UHFFFAOYSA-N 1 2 343.475 2.298 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C(C)(C)CC(C)(C)C)nn2)C1 ZINC001107238447 786591011 /nfs/dbraw/zinc/59/10/11/786591011.db2.gz XDCLIXKJBDTVJT-UHFFFAOYSA-N 1 2 333.480 2.399 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C(C)C ZINC001109592015 805726785 /nfs/dbraw/zinc/72/67/85/805726785.db2.gz DYURINLUQCOLHQ-NCOADZHNSA-N 1 2 349.519 2.471 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C(C)C ZINC001109592015 805726783 /nfs/dbraw/zinc/72/67/83/805726783.db2.gz DYURINLUQCOLHQ-NCOADZHNSA-N 1 2 349.519 2.471 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CC=C(Cl)Cl)C[C@@H]2O)C1 ZINC001090555380 786913906 /nfs/dbraw/zinc/91/39/06/786913906.db2.gz JXUFKAVMKUILLF-NEPJUHHUSA-N 1 2 333.259 2.213 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CC=C(Cl)Cl)C[C@@H]2O)C1 ZINC001090555380 786913912 /nfs/dbraw/zinc/91/39/12/786913912.db2.gz JXUFKAVMKUILLF-NEPJUHHUSA-N 1 2 333.259 2.213 20 30 EEEDLO C=C1CCC(C(=O)N(C)CCCNc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001109618051 805764141 /nfs/dbraw/zinc/76/41/41/805764141.db2.gz DVSFJNVKRPMUNO-UHFFFAOYSA-N 1 2 346.479 2.253 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2CC[NH+](Cc3nonc3C)CC2)cc1 ZINC001005806296 787247941 /nfs/dbraw/zinc/24/79/41/787247941.db2.gz VRUFGESTHZIVEV-UHFFFAOYSA-N 1 2 338.411 2.096 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC/C=C\CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107462475 787311780 /nfs/dbraw/zinc/31/17/80/787311780.db2.gz QTEIUVIFNHMWFX-IYKSTZQJSA-N 1 2 343.475 2.151 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC/C=C\CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107462475 787311792 /nfs/dbraw/zinc/31/17/92/787311792.db2.gz QTEIUVIFNHMWFX-IYKSTZQJSA-N 1 2 343.475 2.151 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC/C=C\CNc1[nH+]cnc2c1cnn2C ZINC001107463462 787315040 /nfs/dbraw/zinc/31/50/40/787315040.db2.gz JUSGLNJDQVVNIE-SREVYHEPSA-N 1 2 328.420 2.050 20 30 EEEDLO O=C(CC1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032325232 787483463 /nfs/dbraw/zinc/48/34/63/787483463.db2.gz JARHETJCRJHOKC-PMACEKPBSA-N 1 2 338.451 2.140 20 30 EEEDLO O=C(CC1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032325232 787483472 /nfs/dbraw/zinc/48/34/72/787483472.db2.gz JARHETJCRJHOKC-PMACEKPBSA-N 1 2 338.451 2.140 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001062315165 787875026 /nfs/dbraw/zinc/87/50/26/787875026.db2.gz MATOZUKHVHVDAE-HZPDHXFCSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCC1(C(=O)NC[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001062364459 787970900 /nfs/dbraw/zinc/97/09/00/787970900.db2.gz VKMOUZVLACMZFY-MRXNPFEDSA-N 1 2 344.459 2.196 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)cccc2F)[C@H](O)C1 ZINC001090843864 788528971 /nfs/dbraw/zinc/52/89/71/788528971.db2.gz LYJCKGNWXLXSAS-UONOGXRCSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)cccc2F)[C@H](O)C1 ZINC001090843864 788528978 /nfs/dbraw/zinc/52/89/78/788528978.db2.gz LYJCKGNWXLXSAS-UONOGXRCSA-N 1 2 326.799 2.052 20 30 EEEDLO COc1cc(NC(=O)CO[NH+]=C(N)c2ccc(F)cc2)cc(OC)c1 ZINC000029464416 788678770 /nfs/dbraw/zinc/67/87/70/788678770.db2.gz JRSQUPWUBPTKHP-UHFFFAOYSA-N 1 2 347.346 2.119 20 30 EEEDLO O=C(/C=C/c1ccc[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032374930 788769032 /nfs/dbraw/zinc/76/90/32/788769032.db2.gz XBQVRVOXYOIGKS-FWEDTRJPSA-N 1 2 331.419 2.365 20 30 EEEDLO O=C(/C=C/c1ccc[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032374930 788769047 /nfs/dbraw/zinc/76/90/47/788769047.db2.gz XBQVRVOXYOIGKS-FWEDTRJPSA-N 1 2 331.419 2.365 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001060261802 789200013 /nfs/dbraw/zinc/20/00/13/789200013.db2.gz ZRUQSWRGBQHRBD-HNNXBMFYSA-N 1 2 332.448 2.053 20 30 EEEDLO Cc1cc(NC[C@@H](NC(=O)CSCC#N)C2CC2)nc(C(C)C)[nH+]1 ZINC001109763213 805945229 /nfs/dbraw/zinc/94/52/29/805945229.db2.gz GVWZZONKLAAPIX-CQSZACIVSA-N 1 2 347.488 2.472 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001060266216 789246794 /nfs/dbraw/zinc/24/67/94/789246794.db2.gz JAIATNLGSMVPSI-ZDUSSCGKSA-N 1 2 341.390 2.456 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)nc1 ZINC001144166693 789333619 /nfs/dbraw/zinc/33/36/19/789333619.db2.gz RELDUHSRYDVZGL-GOSISDBHSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)nc1 ZINC001144166693 789333625 /nfs/dbraw/zinc/33/36/25/789333625.db2.gz RELDUHSRYDVZGL-GOSISDBHSA-N 1 2 338.386 2.487 20 30 EEEDLO C=C(C(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1)C(F)(F)F ZINC001144201792 789357894 /nfs/dbraw/zinc/35/78/94/789357894.db2.gz QRSRFNRYPRZFCR-ZDUSSCGKSA-N 1 2 343.349 2.387 20 30 EEEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H](CC)CCCC)CC2 ZINC001127944657 789721041 /nfs/dbraw/zinc/72/10/41/789721041.db2.gz VNEAENWKQHDXSI-CVEARBPZSA-N 1 2 345.491 2.038 20 30 EEEDLO COc1ccc(NC(=O)[C@H](C#N)C(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000845443674 789780551 /nfs/dbraw/zinc/78/05/51/789780551.db2.gz RXVXRGRTLVTHCJ-SWLSCSKDSA-N 1 2 326.356 2.190 20 30 EEEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1scnc1C(F)(F)F ZINC001032452373 789811452 /nfs/dbraw/zinc/81/14/52/789811452.db2.gz VJVSYPXRKGBRCX-UWVGGRQHSA-N 1 2 329.347 2.084 20 30 EEEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1scnc1C(F)(F)F ZINC001032452373 789811457 /nfs/dbraw/zinc/81/14/57/789811457.db2.gz VJVSYPXRKGBRCX-UWVGGRQHSA-N 1 2 329.347 2.084 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2Br)C1 ZINC000923581751 789815971 /nfs/dbraw/zinc/81/59/71/789815971.db2.gz DYUHJTXSTUVTKI-SNVBAGLBSA-N 1 2 327.247 2.338 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2Br)C1 ZINC000923581751 789815978 /nfs/dbraw/zinc/81/59/78/789815978.db2.gz DYUHJTXSTUVTKI-SNVBAGLBSA-N 1 2 327.247 2.338 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c(F)ccc3ccncc32)C1 ZINC001107958618 789917540 /nfs/dbraw/zinc/91/75/40/789917540.db2.gz ZZBXSQIRSYEVBC-IBGZPJMESA-N 1 2 343.402 2.381 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c(F)ccc3ccncc32)C1 ZINC001107958618 789917542 /nfs/dbraw/zinc/91/75/42/789917542.db2.gz ZZBXSQIRSYEVBC-IBGZPJMESA-N 1 2 343.402 2.381 20 30 EEEDLO C=CCCC1(C(=O)N2CC[C@H](CCNC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001060330291 790135532 /nfs/dbraw/zinc/13/55/32/790135532.db2.gz BEVKTNPKMJXDRM-HNNXBMFYSA-N 1 2 344.459 2.053 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001060330863 790138672 /nfs/dbraw/zinc/13/86/72/790138672.db2.gz IMGGFKFBAZHSGD-BEFAXECRSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001060330863 790138677 /nfs/dbraw/zinc/13/86/77/790138677.db2.gz IMGGFKFBAZHSGD-BEFAXECRSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060864381 790162908 /nfs/dbraw/zinc/16/29/08/790162908.db2.gz NVTDZIVYOXLLJM-BZUAXINKSA-N 1 2 346.475 2.346 20 30 EEEDLO N#Cc1c(F)cccc1N[C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001091585841 791428953 /nfs/dbraw/zinc/42/89/53/791428953.db2.gz DGVFWYRFXRWJBS-UONOGXRCSA-N 1 2 341.390 2.291 20 30 EEEDLO N#CCSCC(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001147031205 791655603 /nfs/dbraw/zinc/65/56/03/791655603.db2.gz JGGBXULZWTVMFT-VZUCSPMQSA-N 1 2 334.272 2.096 20 30 EEEDLO N#CCSCC(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C\Cl)C2 ZINC001147031205 791655606 /nfs/dbraw/zinc/65/56/06/791655606.db2.gz JGGBXULZWTVMFT-VZUCSPMQSA-N 1 2 334.272 2.096 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091621969 791747251 /nfs/dbraw/zinc/74/72/51/791747251.db2.gz GUTMEUVTOQRGDL-QWHCGFSZSA-N 1 2 342.447 2.272 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C(C)C)o1)C2 ZINC001147422201 791826778 /nfs/dbraw/zinc/82/67/78/791826778.db2.gz DZHLLNWZBNFUKB-SFHVURJKSA-N 1 2 347.459 2.159 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C(C)C)o1)C2 ZINC001147422201 791826782 /nfs/dbraw/zinc/82/67/82/791826782.db2.gz DZHLLNWZBNFUKB-SFHVURJKSA-N 1 2 347.459 2.159 20 30 EEEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1cn(C(C)C)nn1)C2 ZINC001147639892 791894782 /nfs/dbraw/zinc/89/47/82/791894782.db2.gz GJXSFQJJXHNENN-UHFFFAOYSA-N 1 2 331.464 2.250 20 30 EEEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1cn(C(C)C)nn1)C2 ZINC001147639892 791894787 /nfs/dbraw/zinc/89/47/87/791894787.db2.gz GJXSFQJJXHNENN-UHFFFAOYSA-N 1 2 331.464 2.250 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nc(CCC)no1)C2 ZINC001148111438 792160681 /nfs/dbraw/zinc/16/06/81/792160681.db2.gz ZPCVGIYVRILESP-UHFFFAOYSA-N 1 2 344.459 2.250 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nc(CCC)no1)C2 ZINC001148111438 792160683 /nfs/dbraw/zinc/16/06/83/792160683.db2.gz ZPCVGIYVRILESP-UHFFFAOYSA-N 1 2 344.459 2.250 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nnc(C3CC3)o1)C2 ZINC001148138081 792183320 /nfs/dbraw/zinc/18/33/20/792183320.db2.gz NIFPZXQXPSRMGS-KGLIPLIRSA-N 1 2 344.459 2.440 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(C3CC3)o1)C2 ZINC001148138081 792183323 /nfs/dbraw/zinc/18/33/23/792183323.db2.gz NIFPZXQXPSRMGS-KGLIPLIRSA-N 1 2 344.459 2.440 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nnc(C)s1)C2 ZINC001148129741 792204912 /nfs/dbraw/zinc/20/49/12/792204912.db2.gz IBWSLEBHYYZSJI-ZDUSSCGKSA-N 1 2 334.489 2.483 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(C)s1)C2 ZINC001148129741 792204916 /nfs/dbraw/zinc/20/49/16/792204916.db2.gz IBWSLEBHYYZSJI-ZDUSSCGKSA-N 1 2 334.489 2.483 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC1(NC(=O)CCn2cc[nH+]c2)CCC1 ZINC001064106905 792416731 /nfs/dbraw/zinc/41/67/31/792416731.db2.gz BWLCPCKZPBPKHX-OAHLLOKOSA-N 1 2 332.448 2.031 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001064111205 792432209 /nfs/dbraw/zinc/43/22/09/792432209.db2.gz JTSSPEUKNORQGH-RRFJBIMHSA-N 1 2 344.459 2.271 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001064111205 792432213 /nfs/dbraw/zinc/43/22/13/792432213.db2.gz JTSSPEUKNORQGH-RRFJBIMHSA-N 1 2 344.459 2.271 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089122485 792495774 /nfs/dbraw/zinc/49/57/74/792495774.db2.gz KVNJUGSFDWTBIC-BLLLJJGKSA-N 1 2 332.448 2.078 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001064177674 792611145 /nfs/dbraw/zinc/61/11/45/792611145.db2.gz SWCBTKCSCVZIOA-CZUORRHYSA-N 1 2 338.415 2.006 20 30 EEEDLO C=CCCOCC(=O)N1CC2(C1)CC[N@H+](Cc1coc(C3CC3)n1)C2 ZINC001148893519 792766453 /nfs/dbraw/zinc/76/64/53/792766453.db2.gz MFBIDRIEGCWYCO-UHFFFAOYSA-N 1 2 345.443 2.179 20 30 EEEDLO C=CCCOCC(=O)N1CC2(C1)CC[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC001148893519 792766461 /nfs/dbraw/zinc/76/64/61/792766461.db2.gz MFBIDRIEGCWYCO-UHFFFAOYSA-N 1 2 345.443 2.179 20 30 EEEDLO C=CCCCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001064278945 792797024 /nfs/dbraw/zinc/79/70/24/792797024.db2.gz WKCNQGJVKAGDEE-ZIAGYGMSSA-N 1 2 330.432 2.025 20 30 EEEDLO C=CCCCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001064278945 792797041 /nfs/dbraw/zinc/79/70/41/792797041.db2.gz WKCNQGJVKAGDEE-ZIAGYGMSSA-N 1 2 330.432 2.025 20 30 EEEDLO C[C@@H](CC(=O)NCC1CC(Nc2ccc(C#N)nc2)C1)n1cc[nH+]c1 ZINC001092268110 793735263 /nfs/dbraw/zinc/73/52/63/793735263.db2.gz HPQFVQMIBZYDLE-CBCUQQMYSA-N 1 2 338.415 2.108 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C)s1)c1nccn12 ZINC001092338229 793862132 /nfs/dbraw/zinc/86/21/32/793862132.db2.gz IGBRGYREIOHMKL-AWEZNQCLSA-N 1 2 340.452 2.162 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(C)c1)c1nccn12 ZINC001092343311 793867792 /nfs/dbraw/zinc/86/77/92/793867792.db2.gz BXPMROHDNFKSLZ-QGZVFWFLSA-N 1 2 334.423 2.101 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@]13C[C@@H]1CCCC3)c1nccn12 ZINC001092392801 793891338 /nfs/dbraw/zinc/89/13/38/793891338.db2.gz LFLDVWFRRMSRPX-DOXZYTNZSA-N 1 2 326.444 2.221 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C)cc1F)c1nccn12 ZINC001092399831 793899661 /nfs/dbraw/zinc/89/96/61/793899661.db2.gz HIAWZAKBUXAVPG-INIZCTEOSA-N 1 2 340.402 2.402 20 30 EEEDLO C=Cc1ccc(C(=O)N[C@@H]2CC3(C[NH+](CC#CC)C3)n3ccnc32)cc1 ZINC001092400235 793900701 /nfs/dbraw/zinc/90/07/01/793900701.db2.gz ZHFGGUCHHZOARH-GOSISDBHSA-N 1 2 346.434 2.435 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[C@H](C)CC1)c1nccn12 ZINC001092409843 793958871 /nfs/dbraw/zinc/95/88/71/793958871.db2.gz YICGZEDIJBBPHI-ULQDDVLXSA-N 1 2 340.471 2.305 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)C#N)c(C)[nH+]1 ZINC000999199728 793994433 /nfs/dbraw/zinc/99/44/33/793994433.db2.gz XDIRHEBPFIEQIK-FWYOQMDTSA-N 1 2 340.427 2.028 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001064945127 793999026 /nfs/dbraw/zinc/99/90/26/793999026.db2.gz QYZJLZGPPRTWIQ-LBPRGKRZSA-N 1 2 327.363 2.066 20 30 EEEDLO C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C/C=C\c2ccccc2)nn1 ZINC001032669875 794032650 /nfs/dbraw/zinc/03/26/50/794032650.db2.gz DWQPVMBXMZUTMA-KELXMEGNSA-N 1 2 349.438 2.076 20 30 EEEDLO C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C/C=C\c2ccccc2)nn1 ZINC001032669875 794032655 /nfs/dbraw/zinc/03/26/55/794032655.db2.gz DWQPVMBXMZUTMA-KELXMEGNSA-N 1 2 349.438 2.076 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCN2c2ccccc2)C1 ZINC001107988398 794232328 /nfs/dbraw/zinc/23/23/28/794232328.db2.gz CGSHRAIBYBAVFN-UYAOXDASSA-N 1 2 343.471 2.049 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCN2c2ccccc2)C1 ZINC001107988398 794232332 /nfs/dbraw/zinc/23/23/32/794232332.db2.gz CGSHRAIBYBAVFN-UYAOXDASSA-N 1 2 343.471 2.049 20 30 EEEDLO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccns2)C1 ZINC001079135764 794393252 /nfs/dbraw/zinc/39/32/52/794393252.db2.gz LKOYLNOPOQKGOC-HZPDHXFCSA-N 1 2 343.452 2.017 20 30 EEEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccns2)C1 ZINC001079135764 794393262 /nfs/dbraw/zinc/39/32/62/794393262.db2.gz LKOYLNOPOQKGOC-HZPDHXFCSA-N 1 2 343.452 2.017 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]c(CC)n1 ZINC001092852859 794416294 /nfs/dbraw/zinc/41/62/94/794416294.db2.gz XWQOQBORQZMPGI-PMPSAXMXSA-N 1 2 344.459 2.166 20 30 EEEDLO N#CC(C#N)c1nc2ccccc2nc1NCC1([NH+]2CCCC2)COC1 ZINC001168443617 794425558 /nfs/dbraw/zinc/42/55/58/794425558.db2.gz MPIRKXLKCIDCDC-UHFFFAOYSA-N 1 2 348.410 2.037 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001093186860 794844332 /nfs/dbraw/zinc/84/43/32/794844332.db2.gz JBCMKJIDOAHYQG-IBGZPJMESA-N 1 2 346.475 2.279 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cscn1 ZINC001079488401 794848231 /nfs/dbraw/zinc/84/82/31/794848231.db2.gz WWCUENKUULMNQZ-IUODEOHRSA-N 1 2 326.425 2.265 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1cscn1 ZINC001079488401 794848233 /nfs/dbraw/zinc/84/82/33/794848233.db2.gz WWCUENKUULMNQZ-IUODEOHRSA-N 1 2 326.425 2.265 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(CC)o3)C2)cc1 ZINC000999874489 795070086 /nfs/dbraw/zinc/07/00/86/795070086.db2.gz ZONMCWYTSITNSQ-MRXNPFEDSA-N 1 2 338.411 2.008 20 30 EEEDLO Cc1nsc(N[C@H](C)C[C@H](C)NC(=O)CCc2[nH]cc[nH+]2)c1C#N ZINC001089307031 795157851 /nfs/dbraw/zinc/15/78/51/795157851.db2.gz VDAOIDFFFGYILO-WDEREUQCSA-N 1 2 346.460 2.374 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC(OC2C[NH+](Cc3ccccc3)C2)CC1 ZINC001093517531 795303972 /nfs/dbraw/zinc/30/39/72/795303972.db2.gz QQQRWMAKIFAFHH-HNNXBMFYSA-N 1 2 327.428 2.038 20 30 EEEDLO C=C(C)CCC(=O)N(CC)C1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001079880205 795314961 /nfs/dbraw/zinc/31/49/61/795314961.db2.gz ZETAAYHCAAQCCM-OAHLLOKOSA-N 1 2 332.448 2.250 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccnn3[C@@H](C)CC)CC2)C1 ZINC001093540050 795342994 /nfs/dbraw/zinc/34/29/94/795342994.db2.gz AXMBLPMARWJGFR-HNNXBMFYSA-N 1 2 346.475 2.346 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3[nH]ccc3C3CC3)CC2)C1 ZINC001093541024 795347718 /nfs/dbraw/zinc/34/77/18/795347718.db2.gz ALMMVVLLWOPEPE-UHFFFAOYSA-N 1 2 329.444 2.384 20 30 EEEDLO Cc1nc(NCC[C@@H](C)NC(=O)C#CC2CC2)c2c([nH+]1)CCCC2 ZINC001106303187 795370376 /nfs/dbraw/zinc/37/03/76/795370376.db2.gz LNRVPSQJLUXUPZ-CYBMUJFWSA-N 1 2 326.444 2.384 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106305328 795372720 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796627384 /nfs/dbraw/zinc/62/73/84/796627384.db2.gz UMPWUKQNIXVDEA-NGEICVOHSA-N 1 2 347.503 2.180 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc(OCC)n[nH]2)[C@@H]1C ZINC000993493653 796774229 /nfs/dbraw/zinc/77/42/29/796774229.db2.gz PGLJAGDCQDZSAM-RYUDHWBXSA-N 1 2 326.828 2.144 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc(OCC)n[nH]2)[C@@H]1C ZINC000993493653 796774235 /nfs/dbraw/zinc/77/42/35/796774235.db2.gz PGLJAGDCQDZSAM-RYUDHWBXSA-N 1 2 326.828 2.144 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(C(N)=O)c2)[C@@H]1C ZINC000993521647 796778984 /nfs/dbraw/zinc/77/89/84/796778984.db2.gz OJERBOYDSIOLLL-SWLSCSKDSA-N 1 2 335.835 2.121 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C(N)=O)c2)[C@@H]1C ZINC000993521647 796778986 /nfs/dbraw/zinc/77/89/86/796778986.db2.gz OJERBOYDSIOLLL-SWLSCSKDSA-N 1 2 335.835 2.121 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2ncccn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000994068233 797298211 /nfs/dbraw/zinc/29/82/11/797298211.db2.gz GSNRQIZNPRBFKL-RHSMWYFYSA-N 1 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797467580 /nfs/dbraw/zinc/46/75/80/797467580.db2.gz NSPCZOLBORNNBY-UHFFFAOYSA-N 1 2 332.371 2.385 20 30 EEEDLO CN(CCC#N)c1ccc(C=[NH+]NC(=S)NC[C@@H]2CCCO2)cc1 ZINC000916311417 797579125 /nfs/dbraw/zinc/57/91/25/797579125.db2.gz JDMGNUHQIGEFBK-INIZCTEOSA-N 1 2 345.472 2.013 20 30 EEEDLO C=CCCCC(=O)N1CCC(Nc2ncnc3c2C[N@H+](C)CC3)CC1 ZINC001095247513 797598151 /nfs/dbraw/zinc/59/81/51/797598151.db2.gz MSNACDWTBZNAEI-UHFFFAOYSA-N 1 2 343.475 2.224 20 30 EEEDLO C=CCCCC(=O)N1CCC(Nc2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC001095247513 797598155 /nfs/dbraw/zinc/59/81/55/797598155.db2.gz MSNACDWTBZNAEI-UHFFFAOYSA-N 1 2 343.475 2.224 20 30 EEEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ocnc4C)C[C@@H]32)CC1 ZINC001083184113 797929772 /nfs/dbraw/zinc/92/97/72/797929772.db2.gz QUWDDQFFALMRSD-FUHWJXTLSA-N 1 2 345.443 2.141 20 30 EEEDLO C=C1CCC(C(=O)N2CCO[C@@H]3C[N@H+](Cc4ocnc4C)C[C@@H]32)CC1 ZINC001083184113 797929774 /nfs/dbraw/zinc/92/97/74/797929774.db2.gz QUWDDQFFALMRSD-FUHWJXTLSA-N 1 2 345.443 2.141 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2c(C)nn3cccnc23)[C@@H]1C ZINC000994447532 798015939 /nfs/dbraw/zinc/01/59/39/798015939.db2.gz BUFPREYAYAPHBA-KBPBESRZSA-N 1 2 347.850 2.373 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2c(C)nn3cccnc23)[C@@H]1C ZINC000994447532 798015946 /nfs/dbraw/zinc/01/59/46/798015946.db2.gz BUFPREYAYAPHBA-KBPBESRZSA-N 1 2 347.850 2.373 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(N(C)C)cn2)[C@H]1C ZINC000994480135 798069272 /nfs/dbraw/zinc/06/92/72/798069272.db2.gz XANPBJCQDIKDGW-UKRRQHHQSA-N 1 2 336.867 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N(C)C)cn2)[C@H]1C ZINC000994480135 798069278 /nfs/dbraw/zinc/06/92/78/798069278.db2.gz XANPBJCQDIKDGW-UKRRQHHQSA-N 1 2 336.867 2.483 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCO3)[C@@H]2C1 ZINC001084282055 798128640 /nfs/dbraw/zinc/12/86/40/798128640.db2.gz IGFRHSLMXNFHIC-GUDVDZBRSA-N 1 2 339.439 2.160 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCO3)[C@@H]2C1 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EEEDLO CC(C)c1nc(C[NH2+]CCCNC(=O)CC#Cc2ccccc2)no1 ZINC001176762450 798573212 /nfs/dbraw/zinc/57/32/12/798573212.db2.gz BTLRYZJKKWFVBL-UHFFFAOYSA-N 1 2 340.427 2.231 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)o3)[C@H]2C1 ZINC001085024078 798617087 /nfs/dbraw/zinc/61/70/87/798617087.db2.gz SGZGXWWIQITMAX-VKJFTORMSA-N 1 2 332.448 2.403 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)o3)[C@H]2C1 ZINC001085024078 798617090 /nfs/dbraw/zinc/61/70/90/798617090.db2.gz SGZGXWWIQITMAX-VKJFTORMSA-N 1 2 332.448 2.403 20 30 EEEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)COC(C)C)c2C1 ZINC001128273310 798625810 /nfs/dbraw/zinc/62/58/10/798625810.db2.gz DBWJNXYZTGKFGN-UHFFFAOYSA-N 1 2 348.491 2.486 20 30 EEEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)COC(C)C)c2C1 ZINC001128273310 798625814 /nfs/dbraw/zinc/62/58/14/798625814.db2.gz DBWJNXYZTGKFGN-UHFFFAOYSA-N 1 2 348.491 2.486 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)C=C(CC)CC)C[C@H]21 ZINC001176983453 798673739 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Cc1cc(N(C)[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001061177955 798756513 /nfs/dbraw/zinc/75/65/13/798756513.db2.gz BPCHFNIPKKTTSY-UKRRQHHQSA-N 1 2 329.448 2.495 20 30 EEEDLO Cc1nc(N2CCC([C@@H]3CCCN(C(=O)[C@H](C)C#N)C3)CC2)cc[nH+]1 ZINC001065561436 799205925 /nfs/dbraw/zinc/20/59/25/799205925.db2.gz XSXPJZZFBNEPFF-RHSMWYFYSA-N 1 2 341.459 2.400 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C[C@H]3CC(C)(C)CO3)c2C1 ZINC001128403373 799252063 /nfs/dbraw/zinc/25/20/63/799252063.db2.gz ATBZDHMRPHGGRE-INIZCTEOSA-N 1 2 346.475 2.096 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C[C@H]3CC(C)(C)CO3)c2C1 ZINC001128403373 799252069 /nfs/dbraw/zinc/25/20/69/799252069.db2.gz ATBZDHMRPHGGRE-INIZCTEOSA-N 1 2 346.475 2.096 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC3CC3)C2)CC1 ZINC001065680816 799335414 /nfs/dbraw/zinc/33/54/14/799335414.db2.gz NISNRNIJRSIRII-KRWDZBQOSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC(C)C)C2)CC1 ZINC001065682423 799338488 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800041332 /nfs/dbraw/zinc/04/13/32/800041332.db2.gz JXWCPLOGLKIJGP-BPLDGKMQSA-N 1 2 327.432 2.077 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1cncc(F)c1 ZINC001085542525 800728148 /nfs/dbraw/zinc/72/81/48/800728148.db2.gz ZVGGUCLJPSTUAJ-LJQANCHMSA-N 1 2 337.398 2.419 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)c1cncc(F)c1 ZINC001085542525 800728153 /nfs/dbraw/zinc/72/81/53/800728153.db2.gz ZVGGUCLJPSTUAJ-LJQANCHMSA-N 1 2 337.398 2.419 20 30 EEEDLO C#Cc1ccc(C(=O)NC2CC[NH+](CC(=C)Br)CC2)nc1 ZINC001004004840 800767240 /nfs/dbraw/zinc/76/72/40/800767240.db2.gz QQPXYCDDLKFONZ-UHFFFAOYSA-N 1 2 348.244 2.166 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)C(=O)c1ncccc1O ZINC001085562851 800789062 /nfs/dbraw/zinc/78/90/62/800789062.db2.gz XONDFXQKXXCBIG-MRXNPFEDSA-N 1 2 336.395 2.005 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1)C(=O)c1ncccc1O ZINC001085562851 800789065 /nfs/dbraw/zinc/78/90/65/800789065.db2.gz XONDFXQKXXCBIG-MRXNPFEDSA-N 1 2 336.395 2.005 20 30 EEEDLO N#Cc1ccccc1CC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001181798464 800908229 /nfs/dbraw/zinc/90/82/29/800908229.db2.gz RXENVMXZMOJAHN-UHFFFAOYSA-N 1 2 349.434 2.324 20 30 EEEDLO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cn[nH]c1-c1ccccn1 ZINC001085634397 800940108 /nfs/dbraw/zinc/94/01/08/800940108.db2.gz PPEOPGZFCSIYTI-AWEZNQCLSA-N 1 2 325.416 2.194 20 30 EEEDLO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cn[nH]c1-c1ccccn1 ZINC001085634397 800940109 /nfs/dbraw/zinc/94/01/09/800940109.db2.gz PPEOPGZFCSIYTI-AWEZNQCLSA-N 1 2 325.416 2.194 20 30 EEEDLO C#CCCCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C(F)(F)F)s2)C1 ZINC001182214692 801072086 /nfs/dbraw/zinc/07/20/86/801072086.db2.gz FRWSBPHOJDOZPE-SNVBAGLBSA-N 1 2 346.378 2.051 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C(F)(F)F)cn1 ZINC001085753725 801180070 /nfs/dbraw/zinc/18/00/70/801180070.db2.gz NUADWUZTWDKIIV-ZDUSSCGKSA-N 1 2 325.334 2.270 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C(F)(F)F)cn1 ZINC001085753725 801180074 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C=CCOCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001114108694 810357972 /nfs/dbraw/zinc/35/79/72/810357972.db2.gz ORJLDCZCXLJIAL-QWHZDKJVSA-N 1 2 345.443 2.081 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001114108694 810357980 /nfs/dbraw/zinc/35/79/80/810357980.db2.gz ORJLDCZCXLJIAL-QWHZDKJVSA-N 1 2 345.443 2.081 20 30 EEEDLO Cc1cnn([C@@H]2CC[N@H+](Cn3cc4c(c(C#N)c3=O)CCCC4)C2)c1 ZINC000793524573 810381636 /nfs/dbraw/zinc/38/16/36/810381636.db2.gz WETBGPBPCPGLRR-MRXNPFEDSA-N 1 2 337.427 2.008 20 30 EEEDLO Cc1cnn([C@@H]2CC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCCC4)C2)c1 ZINC000793524573 810381642 /nfs/dbraw/zinc/38/16/42/810381642.db2.gz WETBGPBPCPGLRR-MRXNPFEDSA-N 1 2 337.427 2.008 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001114199611 810597112 /nfs/dbraw/zinc/59/71/12/810597112.db2.gz XRZLMQPVMMRFSF-HWWDLCQESA-N 1 2 329.444 2.322 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001114199611 810597116 /nfs/dbraw/zinc/59/71/16/810597116.db2.gz XRZLMQPVMMRFSF-HWWDLCQESA-N 1 2 329.444 2.322 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@]2(CC[N@H+](Cc3nc(C)oc3C)C2)C1 ZINC001131645917 813070124 /nfs/dbraw/zinc/07/01/24/813070124.db2.gz NAMVFDXAMABWKJ-KUHUBIRLSA-N 1 2 347.459 2.449 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@]2(CC[N@@H+](Cc3nc(C)oc3C)C2)C1 ZINC001131645917 813070131 /nfs/dbraw/zinc/07/01/31/813070131.db2.gz NAMVFDXAMABWKJ-KUHUBIRLSA-N 1 2 347.459 2.449 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CCNC(=O)CC(C)C ZINC001437047660 1088931128 /nfs/dbraw/zinc/93/11/28/1088931128.db2.gz VJACZJGGHNQEBL-OAHLLOKOSA-N 1 2 343.899 2.262 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCNC(=O)CC(C)C ZINC001437047660 1088931144 /nfs/dbraw/zinc/93/11/44/1088931144.db2.gz VJACZJGGHNQEBL-OAHLLOKOSA-N 1 2 343.899 2.262 20 30 EEEDLO Cc1ccc(-c2cnc(C[N@@H+](C)CCNC(=O)[C@H](C)C#N)o2)cc1 ZINC001437446855 1089751267 /nfs/dbraw/zinc/75/12/67/1089751267.db2.gz DCHKXJXIXKZCMQ-CQSZACIVSA-N 1 2 326.400 2.358 20 30 EEEDLO Cc1ccc(-c2cnc(C[N@H+](C)CCNC(=O)[C@H](C)C#N)o2)cc1 ZINC001437446855 1089751281 /nfs/dbraw/zinc/75/12/81/1089751281.db2.gz DCHKXJXIXKZCMQ-CQSZACIVSA-N 1 2 326.400 2.358 20 30 EEEDLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N)c(C)c1 ZINC001438867732 1091505814 /nfs/dbraw/zinc/50/58/14/1091505814.db2.gz WJWWCTQNBZYIKC-HZPDHXFCSA-N 1 2 344.459 2.180 20 30 EEEDLO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H](C)C#N)c(C)c1 ZINC001438867732 1091505822 /nfs/dbraw/zinc/50/58/22/1091505822.db2.gz WJWWCTQNBZYIKC-HZPDHXFCSA-N 1 2 344.459 2.180 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnc2cc(OC)ccn21 ZINC001439356941 1092073122 /nfs/dbraw/zinc/07/31/22/1092073122.db2.gz PQXRHXBQPXUAHO-GFCCVEGCSA-N 1 2 336.823 2.146 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnc2cc(OC)ccn21 ZINC001439356941 1092073130 /nfs/dbraw/zinc/07/31/30/1092073130.db2.gz PQXRHXBQPXUAHO-GFCCVEGCSA-N 1 2 336.823 2.146 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1nnc2ccccc2c1O ZINC001439381186 1092126350 /nfs/dbraw/zinc/12/63/50/1092126350.db2.gz VFHYBVLQCVQPKZ-LLVKDONJSA-N 1 2 334.807 2.138 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1nnc2ccccc2c1O ZINC001439381186 1092126356 /nfs/dbraw/zinc/12/63/56/1092126356.db2.gz VFHYBVLQCVQPKZ-LLVKDONJSA-N 1 2 334.807 2.138 20 30 EEEDLO C[C@]1(C(=O)NCC[N@H+](Cc2cc(C#N)ccc2F)C2CC2)CCOC1 ZINC001443044114 1097453090 /nfs/dbraw/zinc/45/30/90/1097453090.db2.gz VIWFUSJQKQRJQZ-IBGZPJMESA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@]1(C(=O)NCC[N@@H+](Cc2cc(C#N)ccc2F)C2CC2)CCOC1 ZINC001443044114 1097453095 /nfs/dbraw/zinc/45/30/95/1097453095.db2.gz VIWFUSJQKQRJQZ-IBGZPJMESA-N 1 2 345.418 2.205 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)CCc2cncnc2)C1 ZINC001493962855 1103210701 /nfs/dbraw/zinc/21/07/01/1103210701.db2.gz DHQDKYFLEDLBFL-MRXNPFEDSA-N 1 2 336.867 2.475 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CCc2cncnc2)C1 ZINC001493962855 1103210711 /nfs/dbraw/zinc/21/07/11/1103210711.db2.gz DHQDKYFLEDLBFL-MRXNPFEDSA-N 1 2 336.867 2.475 20 30 EEEDLO C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[N@H+](C)Cc1ccncc1Cl ZINC001448000945 1103774294 /nfs/dbraw/zinc/77/42/94/1103774294.db2.gz AELZAUGEXRNHTM-LLVKDONJSA-N 1 2 331.807 2.185 20 30 EEEDLO C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[N@@H+](C)Cc1ccncc1Cl ZINC001448000945 1103774302 /nfs/dbraw/zinc/77/43/02/1103774302.db2.gz AELZAUGEXRNHTM-LLVKDONJSA-N 1 2 331.807 2.185 20 30 EEEDLO CN(Cc1cccc(C#N)c1)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000187201475 529992927 /nfs/dbraw/zinc/99/29/27/529992927.db2.gz HAMBUPOSJPAJPD-GOSISDBHSA-N 1 2 327.428 2.018 20 30 EEEDLO CN(Cc1cccc(C#N)c1)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000187201475 529992928 /nfs/dbraw/zinc/99/29/28/529992928.db2.gz HAMBUPOSJPAJPD-GOSISDBHSA-N 1 2 327.428 2.018 20 30 EEEDLO C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000329092820 539766738 /nfs/dbraw/zinc/76/67/38/539766738.db2.gz ATKWMIIFOLSHPN-INIZCTEOSA-N 1 2 347.507 2.463 20 30 EEEDLO C[C@@H](C(=O)NCC1CCCCC1)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000329092820 539766741 /nfs/dbraw/zinc/76/67/41/539766741.db2.gz ATKWMIIFOLSHPN-INIZCTEOSA-N 1 2 347.507 2.463 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411931133 283227938 /nfs/dbraw/zinc/22/79/38/283227938.db2.gz DTSKCGHEWVXFBO-GJZGRUSLSA-N 1 2 327.409 2.366 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411931133 283227939 /nfs/dbraw/zinc/22/79/39/283227939.db2.gz DTSKCGHEWVXFBO-GJZGRUSLSA-N 1 2 327.409 2.366 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411931132 283228114 /nfs/dbraw/zinc/22/81/14/283228114.db2.gz DTSKCGHEWVXFBO-CABCVRRESA-N 1 2 327.409 2.366 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411931132 283228120 /nfs/dbraw/zinc/22/81/20/283228120.db2.gz DTSKCGHEWVXFBO-CABCVRRESA-N 1 2 327.409 2.366 20 30 EEEDLO N#CCCCC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000292224107 238184893 /nfs/dbraw/zinc/18/48/93/238184893.db2.gz FERMEBXBICWARU-UHFFFAOYSA-N 1 2 345.834 2.326 20 30 EEEDLO C=CC[N@@H+](CC(=O)N(C)Cc1cnn(C)c1)Cc1ccccc1F ZINC000079889055 217260694 /nfs/dbraw/zinc/26/06/94/217260694.db2.gz BZNXBNZWJPEMIT-UHFFFAOYSA-N 1 2 330.407 2.206 20 30 EEEDLO C=CC[N@H+](CC(=O)N(C)Cc1cnn(C)c1)Cc1ccccc1F ZINC000079889055 217260697 /nfs/dbraw/zinc/26/06/97/217260697.db2.gz BZNXBNZWJPEMIT-UHFFFAOYSA-N 1 2 330.407 2.206 20 30 EEEDLO Cc1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)c(C#N)c1C ZINC000264170089 246134244 /nfs/dbraw/zinc/13/42/44/246134244.db2.gz ZTJLAYPHQBOQFB-UHFFFAOYSA-N 1 2 325.391 2.426 20 30 EEEDLO CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1C#N ZINC000268741398 252191306 /nfs/dbraw/zinc/19/13/06/252191306.db2.gz QAIXDSBCUGKGOB-IBGZPJMESA-N 1 2 335.407 2.422 20 30 EEEDLO CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1C#N ZINC000268741398 252191311 /nfs/dbraw/zinc/19/13/11/252191311.db2.gz QAIXDSBCUGKGOB-IBGZPJMESA-N 1 2 335.407 2.422 20 30 EEEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000491617875 533118975 /nfs/dbraw/zinc/11/89/75/533118975.db2.gz BYXWEWXVMZHYKO-CQSZACIVSA-N 1 2 325.437 2.212 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3sccc3C)n2C2CC2)CC1 ZINC000491669741 533158761 /nfs/dbraw/zinc/15/87/61/533158761.db2.gz USAICTJGNHNNRG-UHFFFAOYSA-N 1 2 327.457 2.405 20 30 EEEDLO CCc1ccccc1NC(=O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000267370623 256053227 /nfs/dbraw/zinc/05/32/27/256053227.db2.gz JWAQVXCLXNLOKS-UHFFFAOYSA-N 1 2 349.438 2.276 20 30 EEEDLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CCN1CC(F)(F)F ZINC000270787112 256172201 /nfs/dbraw/zinc/17/22/01/256172201.db2.gz UXCBCYSTNLQLFO-IUODEOHRSA-N 1 2 327.350 2.160 20 30 EEEDLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CCN1CC(F)(F)F ZINC000270787112 256172203 /nfs/dbraw/zinc/17/22/03/256172203.db2.gz UXCBCYSTNLQLFO-IUODEOHRSA-N 1 2 327.350 2.160 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000424673448 533481699 /nfs/dbraw/zinc/48/16/99/533481699.db2.gz JPIQVKKXYSGEQG-QGZVFWFLSA-N 1 2 346.471 2.173 20 30 EEEDLO C[C@H]([NH2+][C@@H](C)c1nnc2ccccn21)C(=O)Nc1ccccc1C#N ZINC000172613069 152101810 /nfs/dbraw/zinc/10/18/10/152101810.db2.gz GDIYUQBOTOSLMH-STQMWFEESA-N 1 2 334.383 2.279 20 30 EEEDLO N#Cc1csc(C[NH+]2CCN(CC(=O)NC3CCCCC3)CC2)c1 ZINC000093054014 159228937 /nfs/dbraw/zinc/22/89/37/159228937.db2.gz GTOBGKSYZYETRY-UHFFFAOYSA-N 1 2 346.500 2.186 20 30 EEEDLO N#Cc1cc(F)ccc1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000097472696 159247164 /nfs/dbraw/zinc/24/71/64/159247164.db2.gz MHDNMSQJYAYCER-UHFFFAOYSA-N 1 2 339.374 2.442 20 30 EEEDLO Cc1cc[nH+]c(N2CCN(CC(=O)Nc3sccc3C#N)CC2)c1 ZINC000119943952 159382992 /nfs/dbraw/zinc/38/29/92/159382992.db2.gz VBKXYNPCLFQNDJ-UHFFFAOYSA-N 1 2 341.440 2.084 20 30 EEEDLO Cc1nnsc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000192788225 160174151 /nfs/dbraw/zinc/17/41/51/160174151.db2.gz FLTNUDDMSCWZSX-UHFFFAOYSA-N 1 2 341.440 2.066 20 30 EEEDLO Cc1nnsc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000192788225 160174152 /nfs/dbraw/zinc/17/41/52/160174152.db2.gz FLTNUDDMSCWZSX-UHFFFAOYSA-N 1 2 341.440 2.066 20 30 EEEDLO Cc1c[nH+]c(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)n1C ZINC000342784464 161090785 /nfs/dbraw/zinc/09/07/85/161090785.db2.gz QXHONNCSOXZDEJ-UHFFFAOYSA-N 1 2 346.438 2.471 20 30 EEEDLO CC(=O)[C@@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1)C(C)C ZINC000344114166 161199622 /nfs/dbraw/zinc/19/96/22/161199622.db2.gz MOPRVWVZSLCOBR-IBGZPJMESA-N 1 2 327.428 2.252 20 30 EEEDLO CC(=O)[C@@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C(C)C ZINC000344114166 161199623 /nfs/dbraw/zinc/19/96/23/161199623.db2.gz MOPRVWVZSLCOBR-IBGZPJMESA-N 1 2 327.428 2.252 20 30 EEEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nnnn1-c1ccccc1 ZINC000344126000 161200456 /nfs/dbraw/zinc/20/04/56/161200456.db2.gz XQVOKYRHALGFKK-UHFFFAOYSA-N 1 2 348.410 2.183 20 30 EEEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nnnn1-c1ccccc1 ZINC000344126000 161200457 /nfs/dbraw/zinc/20/04/57/161200457.db2.gz XQVOKYRHALGFKK-UHFFFAOYSA-N 1 2 348.410 2.183 20 30 EEEDLO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1nncn1C ZINC000352442011 162136927 /nfs/dbraw/zinc/13/69/27/162136927.db2.gz IHLURXXDQVMNFM-OAHLLOKOSA-N 1 2 346.822 2.266 20 30 EEEDLO N#Cc1ccc([C@H]([NH2+][C@@H]2COc3ccc(Cl)cc32)C(N)=O)cc1 ZINC000353853395 162722563 /nfs/dbraw/zinc/72/25/63/162722563.db2.gz SGZIHGUWGKHPDB-ZBFHGGJFSA-N 1 2 327.771 2.461 20 30 EEEDLO Cn1cc(C[NH+]2CCN(Cc3ccc(Cl)cc3C#N)CC2)cn1 ZINC000360064999 164226682 /nfs/dbraw/zinc/22/66/82/164226682.db2.gz XKDYYFHPBUFROP-UHFFFAOYSA-N 1 2 329.835 2.263 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000374905611 167064927 /nfs/dbraw/zinc/06/49/27/167064927.db2.gz ZTNUUVMQCFPESG-LJQANCHMSA-N 1 2 339.370 2.229 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000374905611 167064929 /nfs/dbraw/zinc/06/49/29/167064929.db2.gz ZTNUUVMQCFPESG-LJQANCHMSA-N 1 2 339.370 2.229 20 30 EEEDLO Cc1nc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)oc1C ZINC000166364347 226156958 /nfs/dbraw/zinc/15/69/58/226156958.db2.gz MUYHGVDQSVFTID-UHFFFAOYSA-N 1 2 341.371 2.394 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(C)n2)C1 ZINC000971097580 676371157 /nfs/dbraw/zinc/37/11/57/676371157.db2.gz DKELCGRKDXAAKP-CYBMUJFWSA-N 1 2 338.249 2.445 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C(C)C)CC1 ZINC000296099812 270018374 /nfs/dbraw/zinc/01/83/74/270018374.db2.gz UDSQAVBZNCWYBV-UHFFFAOYSA-N 1 2 334.427 2.153 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)OCC(F)(F)F)CC2)cc1 ZINC000298857758 270018650 /nfs/dbraw/zinc/01/86/50/270018650.db2.gz QLOYIBWQFANVQO-UHFFFAOYSA-N 1 2 327.306 2.375 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccnc(F)c2)C1 ZINC000971186843 676433664 /nfs/dbraw/zinc/43/36/64/676433664.db2.gz LJCXXHHRPLLIEP-GFCCVEGCSA-N 1 2 342.212 2.276 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccnc(F)c2)C1 ZINC000971186843 676433666 /nfs/dbraw/zinc/43/36/66/676433666.db2.gz LJCXXHHRPLLIEP-GFCCVEGCSA-N 1 2 342.212 2.276 20 30 EEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3ccnn3)C2)c(C#N)c1C ZINC000425501453 268104551 /nfs/dbraw/zinc/10/45/51/268104551.db2.gz OEPDOORJZBJDKH-JSGCOSHPSA-N 1 2 342.403 2.024 20 30 EEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3ccnn3)C2)c(C#N)c1C ZINC000425501453 268104554 /nfs/dbraw/zinc/10/45/54/268104554.db2.gz OEPDOORJZBJDKH-JSGCOSHPSA-N 1 2 342.403 2.024 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3cccc(F)c3)C2)nc1 ZINC000292380957 268185382 /nfs/dbraw/zinc/18/53/82/268185382.db2.gz ZEEGLUUQLYNVHO-INIZCTEOSA-N 1 2 340.358 2.184 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3cccc(F)c3)C2)nc1 ZINC000292380957 268185383 /nfs/dbraw/zinc/18/53/83/268185383.db2.gz ZEEGLUUQLYNVHO-INIZCTEOSA-N 1 2 340.358 2.184 20 30 EEEDLO N#Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c(Cl)c1 ZINC000433251378 268245311 /nfs/dbraw/zinc/24/53/11/268245311.db2.gz DMPWJNLAWRMEPO-ZDUSSCGKSA-N 1 2 334.807 2.196 20 30 EEEDLO N#Cc1ccc(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c(Cl)c1 ZINC000433251378 268245314 /nfs/dbraw/zinc/24/53/14/268245314.db2.gz DMPWJNLAWRMEPO-ZDUSSCGKSA-N 1 2 334.807 2.196 20 30 EEEDLO Cc1ccc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)c(C)[nH+]1 ZINC000277427101 269154612 /nfs/dbraw/zinc/15/46/12/269154612.db2.gz DIHVRUGYVGYVPB-UHFFFAOYSA-N 1 2 334.379 2.314 20 30 EEEDLO CCCNC(=O)C[NH+]1CCC(Nc2nc(Cl)c(C#N)s2)CC1 ZINC000278704559 269241704 /nfs/dbraw/zinc/24/17/04/269241704.db2.gz NIXDIAOYBAYMMD-UHFFFAOYSA-N 1 2 341.868 2.071 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C/c3cncs3)CC2)cc1 ZINC000282568352 269499779 /nfs/dbraw/zinc/49/97/79/269499779.db2.gz AVOUJUHOOLQZOQ-AATRIKPKSA-N 1 2 338.436 2.372 20 30 EEEDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)c1 ZINC000559259536 318742970 /nfs/dbraw/zinc/74/29/70/318742970.db2.gz FIQFFNSPCRPRQL-INIZCTEOSA-N 1 2 349.438 2.411 20 30 EEEDLO N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000563202937 318983438 /nfs/dbraw/zinc/98/34/38/318983438.db2.gz JAPHIDOTSRREOL-QGZVFWFLSA-N 1 2 349.438 2.056 20 30 EEEDLO COc1cc(F)cc(C[NH+]2CCN(c3cnccc3C#N)CC2)c1 ZINC000566895759 319329809 /nfs/dbraw/zinc/32/98/09/319329809.db2.gz CTSCPZXNNGKMSF-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO N#Cc1ccc2c(c1)[C@H](Nc1cnn(CC[NH+]3CCOCC3)c1)CC2 ZINC000575098659 320086327 /nfs/dbraw/zinc/08/63/27/320086327.db2.gz RVIQMDAKKSQLQG-LJQANCHMSA-N 1 2 337.427 2.186 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000042244050 463552943 /nfs/dbraw/zinc/55/29/43/463552943.db2.gz FJTFUSCPKYZRGG-GOSISDBHSA-N 1 2 327.472 2.393 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)NCC1(C#N)CCC1)C2 ZINC000333926072 465035767 /nfs/dbraw/zinc/03/57/67/465035767.db2.gz VDCYVJDHGGSZIS-CYBMUJFWSA-N 1 2 329.448 2.488 20 30 EEEDLO O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328706255 465105384 /nfs/dbraw/zinc/10/53/84/465105384.db2.gz YZRSBXRTGLKEGK-RRFJBIMHSA-N 1 2 330.432 2.461 20 30 EEEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)[C@H]2C1 ZINC000328829639 465141110 /nfs/dbraw/zinc/14/11/10/465141110.db2.gz KFWVREMXLZVFNP-QLFBSQMISA-N 1 2 348.399 2.272 20 30 EEEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)[C@H]2C1 ZINC000328829639 465141114 /nfs/dbraw/zinc/14/11/14/465141114.db2.gz KFWVREMXLZVFNP-QLFBSQMISA-N 1 2 348.399 2.272 20 30 EEEDLO O=C(NCc1cn2ccccc2[nH+]1)N1CC[C@@H](C2CCOCC2)C1 ZINC000328817454 465136842 /nfs/dbraw/zinc/13/68/42/465136842.db2.gz GWIDOICPCWKWIB-OAHLLOKOSA-N 1 2 328.416 2.497 20 30 EEEDLO N#Cc1cccc(-n2ccc(C(=O)NCCCNc3cccc[nH+]3)n2)c1 ZINC000337016940 465148273 /nfs/dbraw/zinc/14/82/73/465148273.db2.gz MSVINUCNTCEMTH-UHFFFAOYSA-N 1 2 346.394 2.371 20 30 EEEDLO Cc1ccnc(CN2CC[NH+](CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1 ZINC000328856589 465148220 /nfs/dbraw/zinc/14/82/20/465148220.db2.gz KGYATXFOFZIKMO-NVXWUHKLSA-N 1 2 345.491 2.438 20 30 EEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C12CCC2 ZINC000328883851 465156209 /nfs/dbraw/zinc/15/62/09/465156209.db2.gz YFBAWJYWZVKORR-QLFBSQMISA-N 1 2 332.448 2.471 20 30 EEEDLO CCC[C@@H]1CN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC[N@@H+]1CCOC ZINC000329088242 465229753 /nfs/dbraw/zinc/22/97/53/465229753.db2.gz VMIIXYWYGRVSJC-HZPDHXFCSA-N 1 2 349.479 2.134 20 30 EEEDLO CCC[C@@H]1CN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC[N@H+]1CCOC ZINC000329088242 465229758 /nfs/dbraw/zinc/22/97/58/465229758.db2.gz VMIIXYWYGRVSJC-HZPDHXFCSA-N 1 2 349.479 2.134 20 30 EEEDLO CCOc1cccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)n1 ZINC000355193064 465231302 /nfs/dbraw/zinc/23/13/02/465231302.db2.gz DIDHOPSEHNOHAC-VBKZILBWSA-N 1 2 348.406 2.326 20 30 EEEDLO CCOc1cccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)n1 ZINC000355193064 465231307 /nfs/dbraw/zinc/23/13/07/465231307.db2.gz DIDHOPSEHNOHAC-VBKZILBWSA-N 1 2 348.406 2.326 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2ccccc2)C(C)C)C1=O ZINC000337198639 465238676 /nfs/dbraw/zinc/23/86/76/465238676.db2.gz AHCRVOFQBUHOFI-HKUYNNGSSA-N 1 2 343.471 2.219 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2ccccc2)C(C)C)C1=O ZINC000337198639 465238683 /nfs/dbraw/zinc/23/86/83/465238683.db2.gz AHCRVOFQBUHOFI-HKUYNNGSSA-N 1 2 343.471 2.219 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cc1 ZINC000355446731 465249508 /nfs/dbraw/zinc/24/95/08/465249508.db2.gz VFCZZLZFJJWJGX-CRAIPNDOSA-N 1 2 330.428 2.187 20 30 EEEDLO N#CCCCS(=O)(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000297254962 465250355 /nfs/dbraw/zinc/25/03/55/465250355.db2.gz YIMLPYOPITTWFH-UHFFFAOYSA-N 1 2 338.820 2.249 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c2ccccc2C)C1=O ZINC000337225799 465253948 /nfs/dbraw/zinc/25/39/48/465253948.db2.gz OUSFPKSXOWGAKL-RYRKJORJSA-N 1 2 343.471 2.279 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N[C@H](C)c2ccccc2C)C1=O ZINC000337225799 465253952 /nfs/dbraw/zinc/25/39/52/465253952.db2.gz OUSFPKSXOWGAKL-RYRKJORJSA-N 1 2 343.471 2.279 20 30 EEEDLO C=CCCCCCN(C)C(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000297604368 465262928 /nfs/dbraw/zinc/26/29/28/465262928.db2.gz BQQCCZRKGWMHEQ-DLBZAZTESA-N 1 2 346.475 2.497 20 30 EEEDLO C=CC[C@@H]1N(C(=O)C(=O)N(C)CCCn2cc[nH+]c2)CCCC1(C)C ZINC000297804531 465270901 /nfs/dbraw/zinc/27/09/01/465270901.db2.gz OVXWLZNQMNKVGK-INIZCTEOSA-N 1 2 346.475 2.325 20 30 EEEDLO C=CCN1CC[C@H]([NH2+][C@H](CO)c2c(Cl)cccc2Cl)C1=O ZINC000337261676 465273049 /nfs/dbraw/zinc/27/30/49/465273049.db2.gz WHFOTHNNNVQEBL-QWHCGFSZSA-N 1 2 329.227 2.403 20 30 EEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCOC1CCCCC1 ZINC000329248315 465279028 /nfs/dbraw/zinc/27/90/28/465279028.db2.gz SKBJRYRSZPAOKK-HZPDHXFCSA-N 1 2 339.480 2.045 20 30 EEEDLO C=CC[C@H](CO)CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000342213332 465302056 /nfs/dbraw/zinc/30/20/56/465302056.db2.gz QCXHOUNGMUENDA-DOTOQJQBSA-N 1 2 334.485 2.077 20 30 EEEDLO C=CCCCCCN(C)C(=O)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000342268747 465306103 /nfs/dbraw/zinc/30/61/03/465306103.db2.gz OJQHQAYEUMWWJR-MRXNPFEDSA-N 1 2 346.475 2.390 20 30 EEEDLO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@H]1CCOc2c(F)cccc21 ZINC000329544291 465366839 /nfs/dbraw/zinc/36/68/39/465366839.db2.gz FXJANODVOYJVPG-MFKMUULPSA-N 1 2 330.363 2.434 20 30 EEEDLO [O-]C(N[C@H]1CCOc2c(F)cccc21)=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329544291 465366844 /nfs/dbraw/zinc/36/68/44/465366844.db2.gz FXJANODVOYJVPG-MFKMUULPSA-N 1 2 330.363 2.434 20 30 EEEDLO Cc1nc(C#N)c(C#N)n1Cc1cn2cc(Br)ccc2[nH+]1 ZINC000155303111 462872369 /nfs/dbraw/zinc/87/23/69/462872369.db2.gz UGARRWFDLHNNKB-UHFFFAOYSA-N 1 2 341.172 2.393 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(Cl)ccc1F ZINC000119143449 462878735 /nfs/dbraw/zinc/87/87/35/462878735.db2.gz WXPKXVHVROFCAD-UHFFFAOYSA-N 1 2 339.798 2.167 20 30 EEEDLO Cc1ccc(C(N)=[NH+]OCC(=O)N(C)Cc2cccs2)cc1F ZINC000077383739 462976989 /nfs/dbraw/zinc/97/69/89/462976989.db2.gz BJHHCMHXSRQSIT-UHFFFAOYSA-N 1 2 335.404 2.491 20 30 EEEDLO N#Cc1ccc(OCC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000018147741 463006476 /nfs/dbraw/zinc/00/64/76/463006476.db2.gz UGGLNNRZYWXIAR-UHFFFAOYSA-N 1 2 341.436 2.343 20 30 EEEDLO C=CCNC(=O)c1ccc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)nc1 ZINC000134170780 463011465 /nfs/dbraw/zinc/01/14/65/463011465.db2.gz SVYFXDWQLJGMQH-HOCLYGCPSA-N 1 2 325.416 2.281 20 30 EEEDLO C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000491255307 468334637 /nfs/dbraw/zinc/33/46/37/468334637.db2.gz WPZKDSIEUZWBBK-CQSZACIVSA-N 1 2 348.406 2.020 20 30 EEEDLO Cc1c(F)cccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000078651907 463137477 /nfs/dbraw/zinc/13/74/77/463137477.db2.gz UJRDZRVSMMTGQV-UHFFFAOYSA-N 1 2 334.395 2.214 20 30 EEEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2nc(C)ns2)CC1 ZINC000121464213 463140107 /nfs/dbraw/zinc/14/01/07/463140107.db2.gz XWTZURDPPVMSSC-UHFFFAOYSA-N 1 2 329.429 2.049 20 30 EEEDLO Cc1cc(F)ccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000080165246 463290500 /nfs/dbraw/zinc/29/05/00/463290500.db2.gz JBCRCHRHEMZPSH-UHFFFAOYSA-N 1 2 334.395 2.214 20 30 EEEDLO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000030541272 463302494 /nfs/dbraw/zinc/30/24/94/463302494.db2.gz JWHDYTZCQQOZAN-KXBFYZLASA-N 1 2 344.459 2.308 20 30 EEEDLO Cc1ccc(NC(=O)C[N@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000030541272 463302496 /nfs/dbraw/zinc/30/24/96/463302496.db2.gz JWHDYTZCQQOZAN-KXBFYZLASA-N 1 2 344.459 2.308 20 30 EEEDLO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000071090456 463407224 /nfs/dbraw/zinc/40/72/24/463407224.db2.gz BKSVRMGHMUIXPW-FQEVSTJZSA-N 1 2 347.422 2.417 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N(C)[C@@H]2CCCC[C@@H]2C)cs1 ZINC000151274520 463504412 /nfs/dbraw/zinc/50/44/12/463504412.db2.gz ZIJXBAVMKFBBSG-SMDDNHRTSA-N 1 2 338.477 2.320 20 30 EEEDLO CCc1nnc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c(C#N)c1CC ZINC000170088715 463675374 /nfs/dbraw/zinc/67/53/74/463675374.db2.gz KUXPEAFYYAGFRM-INIZCTEOSA-N 1 2 340.431 2.146 20 30 EEEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccccc3)n(CC)c2=S)CC1 ZINC000044756480 463692909 /nfs/dbraw/zinc/69/29/09/463692909.db2.gz VDJUXDCMZZDHEC-UHFFFAOYSA-N 1 2 341.484 2.309 20 30 EEEDLO COc1ccc(C[NH+]2CCN(C(=O)NCCCCC#N)CC2)cc1F ZINC000170887563 463733751 /nfs/dbraw/zinc/73/37/51/463733751.db2.gz LSBSHZGKXUGJMI-UHFFFAOYSA-N 1 2 348.422 2.355 20 30 EEEDLO CCCCCCCCNC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000283179047 463793022 /nfs/dbraw/zinc/79/30/22/463793022.db2.gz DWSNFIDLGYPPFY-UHFFFAOYSA-N 1 2 334.464 2.241 20 30 EEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000579585098 468380054 /nfs/dbraw/zinc/38/00/54/468380054.db2.gz HKYHLPZAQNAKCV-AWEZNQCLSA-N 1 2 344.806 2.079 20 30 EEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000579585098 468380056 /nfs/dbraw/zinc/38/00/56/468380056.db2.gz HKYHLPZAQNAKCV-AWEZNQCLSA-N 1 2 344.806 2.079 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000178239837 463866960 /nfs/dbraw/zinc/86/69/60/463866960.db2.gz KFIPYCMBCKWPSY-ZIAGYGMSSA-N 1 2 335.414 2.368 20 30 EEEDLO Cn1c2ccccc2nc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000195103289 463991788 /nfs/dbraw/zinc/99/17/88/463991788.db2.gz CNLGOLXKAIPJAJ-UHFFFAOYSA-N 1 2 332.411 2.162 20 30 EEEDLO CCCCCCCS(=O)(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000195247910 464024344 /nfs/dbraw/zinc/02/43/44/464024344.db2.gz PEYCQSGPMIMBRS-QGZVFWFLSA-N 1 2 346.537 2.331 20 30 EEEDLO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1nc(-c2nc[nH]n2)no1 ZINC000178979291 464028660 /nfs/dbraw/zinc/02/86/60/464028660.db2.gz FVYYFWZTQIHMGO-CYBMUJFWSA-N 1 2 341.350 2.352 20 30 EEEDLO COc1cc(C[NH+]2CCN(C(=O)CC(C)(C)C#N)CC2)cc(OC)c1 ZINC000279114803 464040761 /nfs/dbraw/zinc/04/07/61/464040761.db2.gz YYXOOWICFDSWJL-UHFFFAOYSA-N 1 2 345.443 2.288 20 30 EEEDLO COC(=O)c1cccc(OCC(N)=[NH+]OCc2scnc2C)c1 ZINC000289342228 464074247 /nfs/dbraw/zinc/07/42/47/464074247.db2.gz GDWDFQYXMFVZIB-UHFFFAOYSA-N 1 2 335.385 2.106 20 30 EEEDLO C[C@H](NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1)c1ccc2c(c1)CCCC2 ZINC000284089347 464087361 /nfs/dbraw/zinc/08/73/61/464087361.db2.gz KVHUCZARXXPGLF-GUYCJALGSA-N 1 2 345.443 2.210 20 30 EEEDLO C[C@H]([C@H](C)NC(=O)c1ccc(C(C)(C)C#N)cc1)[NH+]1CCOCC1 ZINC000279637003 464118535 /nfs/dbraw/zinc/11/85/35/464118535.db2.gz AFMSIGYFQALCDC-LSDHHAIUSA-N 1 2 329.444 2.327 20 30 EEEDLO C[C@H](NC(=O)[C@H](C)O[NH+]=C(N)[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000284410405 464182248 /nfs/dbraw/zinc/18/22/48/464182248.db2.gz NNTYIAVEKOMONA-COPLHBTASA-N 1 2 339.823 2.374 20 30 EEEDLO COc1ccc(-c2noc([C@@H](C)O[NH+]=C(N)[C@@H]3CCCO3)n2)cc1 ZINC000284509625 464221547 /nfs/dbraw/zinc/22/15/47/464221547.db2.gz TZXWJVORUBDDGZ-MFKMUULPSA-N 1 2 332.360 2.274 20 30 EEEDLO C[C@H]1C[N@H+](CCOCC(F)(F)C(F)F)CCN1CC(F)(F)F ZINC000189790265 464550941 /nfs/dbraw/zinc/55/09/41/464550941.db2.gz XMMMYJKUNSXIJK-VIFPVBQESA-N 1 2 340.283 2.472 20 30 EEEDLO C[C@H]1C[N@@H+](CCOCC(F)(F)C(F)F)CCN1CC(F)(F)F ZINC000189790265 464550947 /nfs/dbraw/zinc/55/09/47/464550947.db2.gz XMMMYJKUNSXIJK-VIFPVBQESA-N 1 2 340.283 2.472 20 30 EEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)C[C@@H]21 ZINC000285549019 464605984 /nfs/dbraw/zinc/60/59/84/464605984.db2.gz VBNCIYZJPSTRQF-OKZBNKHCSA-N 1 2 342.443 2.146 20 30 EEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)C[C@@H]21 ZINC000285549019 464605987 /nfs/dbraw/zinc/60/59/87/464605987.db2.gz VBNCIYZJPSTRQF-OKZBNKHCSA-N 1 2 342.443 2.146 20 30 EEEDLO C[C@@](O)(C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1)C(F)(F)F ZINC000281894917 464625339 /nfs/dbraw/zinc/62/53/39/464625339.db2.gz OXLCJQNVTGYUON-LSDHHAIUSA-N 1 2 327.350 2.182 20 30 EEEDLO C[N@H+](CCOc1ccccc1C#N)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265847580 464707885 /nfs/dbraw/zinc/70/78/85/464707885.db2.gz HSAWENFZRIOCQK-UHFFFAOYSA-N 1 2 344.436 2.473 20 30 EEEDLO C[N@@H+](CCOc1ccccc1C#N)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265847580 464707892 /nfs/dbraw/zinc/70/78/92/464707892.db2.gz HSAWENFZRIOCQK-UHFFFAOYSA-N 1 2 344.436 2.473 20 30 EEEDLO COC(=O)c1cccc(OCC(N)=[NH+]OCCc2scnc2C)c1 ZINC000267048077 464915745 /nfs/dbraw/zinc/91/57/45/464915745.db2.gz DTFHKLQZILYZJY-UHFFFAOYSA-N 1 2 349.412 2.148 20 30 EEEDLO O=C(Nc1cccc2c1OCO2)N1CC[NH+](Cc2ccncc2)CC1 ZINC000329455481 465339394 /nfs/dbraw/zinc/33/93/94/465339394.db2.gz MYSOHOZSASAPLQ-UHFFFAOYSA-N 1 2 340.383 2.174 20 30 EEEDLO CC[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000298803024 465510284 /nfs/dbraw/zinc/51/02/84/465510284.db2.gz MGZOIWPNYLKEHF-SFHVURJKSA-N 1 2 329.444 2.255 20 30 EEEDLO C=CCC(C)(C)CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000352519075 465535601 /nfs/dbraw/zinc/53/56/01/465535601.db2.gz LPEOLFVVKHIEPA-HNNXBMFYSA-N 1 2 334.464 2.202 20 30 EEEDLO C=CCC(C)(C)CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000352519075 465535604 /nfs/dbraw/zinc/53/56/04/465535604.db2.gz LPEOLFVVKHIEPA-HNNXBMFYSA-N 1 2 334.464 2.202 20 30 EEEDLO CC[C@@H](C(=O)OC)N1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000352722918 465552525 /nfs/dbraw/zinc/55/25/25/465552525.db2.gz CKPWRVGIJRCJNT-KRWDZBQOSA-N 1 2 334.847 2.261 20 30 EEEDLO CCOc1cc(N2CC[NH+](CC3(C#N)CC3)CC2)ccc1[N+](=O)[O-] ZINC000360736993 465603124 /nfs/dbraw/zinc/60/31/24/465603124.db2.gz LLFJFKOPGNIPEF-UHFFFAOYSA-N 1 2 330.388 2.419 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2cnn3c2CCCC3)CCO1 ZINC000330334330 465617208 /nfs/dbraw/zinc/61/72/08/465617208.db2.gz QMIQATHZOVJUNK-LRDDRELGSA-N 1 2 329.404 2.178 20 30 EEEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3OCCN(C)[C@H]3C2)c1 ZINC000330356833 465627577 /nfs/dbraw/zinc/62/75/77/465627577.db2.gz SCDOFZFTPTUZNC-AFAVFJNCSA-N 1 2 346.431 2.286 20 30 EEEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3OCCN(C)[C@H]3C2)c1 ZINC000330356833 465627585 /nfs/dbraw/zinc/62/75/85/465627585.db2.gz SCDOFZFTPTUZNC-AFAVFJNCSA-N 1 2 346.431 2.286 20 30 EEEDLO N#Cc1ccc(/C=C/C(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000299314656 465694107 /nfs/dbraw/zinc/69/41/07/465694107.db2.gz USHXNTWJKPVTPK-BQYQJAHWSA-N 1 2 332.407 2.311 20 30 EEEDLO Cc1ccc2[nH+]c(CNC(=O)C(=O)Nc3cccc(C#N)c3C)cn2c1 ZINC000357049164 465727329 /nfs/dbraw/zinc/72/73/29/465727329.db2.gz MCTQHUJICPVIRF-UHFFFAOYSA-N 1 2 347.378 2.078 20 30 EEEDLO C=C(C)CN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000361122733 465778624 /nfs/dbraw/zinc/77/86/24/465778624.db2.gz ZBYWLNXLXNAMDG-HOTGVXAUSA-N 1 2 349.862 2.236 20 30 EEEDLO C=C(C)CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000361122733 465778632 /nfs/dbraw/zinc/77/86/32/465778632.db2.gz ZBYWLNXLXNAMDG-HOTGVXAUSA-N 1 2 349.862 2.236 20 30 EEEDLO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCO[C@H](C(C)C)C2)c1C ZINC000330740204 465785383 /nfs/dbraw/zinc/78/53/83/465785383.db2.gz OXEYNFNWWAZXMJ-INIZCTEOSA-N 1 2 333.432 2.322 20 30 EEEDLO Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCO[C@H](C(C)C)C2)c1C ZINC000330740204 465785388 /nfs/dbraw/zinc/78/53/88/465785388.db2.gz OXEYNFNWWAZXMJ-INIZCTEOSA-N 1 2 333.432 2.322 20 30 EEEDLO Cc1cc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)nn1CCC#N ZINC000348796415 465796712 /nfs/dbraw/zinc/79/67/12/465796712.db2.gz LVXUTSCHYCQNHH-INIZCTEOSA-N 1 2 345.834 3.000 20 30 EEEDLO C=C(C)CN(C)C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000353427180 465875092 /nfs/dbraw/zinc/87/50/92/465875092.db2.gz ACKCYHKEUSOEGQ-UHFFFAOYSA-N 1 2 347.459 2.279 20 30 EEEDLO C=C(C)CN(C)C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000353427180 465875095 /nfs/dbraw/zinc/87/50/95/465875095.db2.gz ACKCYHKEUSOEGQ-UHFFFAOYSA-N 1 2 347.459 2.279 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000346035915 465926682 /nfs/dbraw/zinc/92/66/82/465926682.db2.gz LXGBKYULDYOCFN-JQHSSLGASA-N 1 2 329.444 2.268 20 30 EEEDLO Cn1nnc2cc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc21 ZINC000349584591 466152525 /nfs/dbraw/zinc/15/25/25/466152525.db2.gz FSEYTFWJPDMLFO-UHFFFAOYSA-N 1 2 346.438 2.158 20 30 EEEDLO CC1(C#N)CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000331675943 466193057 /nfs/dbraw/zinc/19/30/57/466193057.db2.gz OQZSDUXLVANDDC-HNNXBMFYSA-N 1 2 328.372 2.326 20 30 EEEDLO O=C(c1ccc[nH]1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000372188742 466214928 /nfs/dbraw/zinc/21/49/28/466214928.db2.gz YOSQPQVBGJZXLE-UHFFFAOYSA-N 1 2 325.387 2.353 20 30 EEEDLO O=C(c1ccc[nH]1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000372188742 466214933 /nfs/dbraw/zinc/21/49/33/466214933.db2.gz YOSQPQVBGJZXLE-UHFFFAOYSA-N 1 2 325.387 2.353 20 30 EEEDLO COc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(OCC(C)C)c1 ZINC000580717523 468482201 /nfs/dbraw/zinc/48/22/01/468482201.db2.gz HBGKWAWFZWORKI-GOSISDBHSA-N 1 2 333.432 2.304 20 30 EEEDLO Cc1cc(CNC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)cc(C)[nH+]1 ZINC000591554862 468483222 /nfs/dbraw/zinc/48/32/22/468483222.db2.gz GPXNMICOXKIAIZ-AWEZNQCLSA-N 1 2 336.395 2.064 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)OC)[C@@H]2C(=O)OC)cc1 ZINC000354034613 466333646 /nfs/dbraw/zinc/33/36/46/466333646.db2.gz SUYSVKUCCWLKBZ-IAGOWNOFSA-N 1 2 347.411 2.178 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)OC)[C@@H]2C(=O)OC)cc1 ZINC000354034613 466333650 /nfs/dbraw/zinc/33/36/50/466333650.db2.gz SUYSVKUCCWLKBZ-IAGOWNOFSA-N 1 2 347.411 2.178 20 30 EEEDLO N#CCCCOc1cccnc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364423267 466699257 /nfs/dbraw/zinc/69/92/57/466699257.db2.gz RPANDKGETNLBEL-ZDUSSCGKSA-N 1 2 325.372 2.162 20 30 EEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000416599525 466743539 /nfs/dbraw/zinc/74/35/39/466743539.db2.gz WKPODAWBXFKBLP-CQSZACIVSA-N 1 2 345.424 2.046 20 30 EEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000416599525 466743542 /nfs/dbraw/zinc/74/35/42/466743542.db2.gz WKPODAWBXFKBLP-CQSZACIVSA-N 1 2 345.424 2.046 20 30 EEEDLO N#CCC1(CNC(=O)N2CCC[N@H+](Cc3cscn3)CC2)CC1 ZINC000374033844 466997529 /nfs/dbraw/zinc/99/75/29/466997529.db2.gz FLWGNLLCOFQOGN-UHFFFAOYSA-N 1 2 333.461 2.054 20 30 EEEDLO N#CCC1(CNC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)CC1 ZINC000374033844 466997532 /nfs/dbraw/zinc/99/75/32/466997532.db2.gz FLWGNLLCOFQOGN-UHFFFAOYSA-N 1 2 333.461 2.054 20 30 EEEDLO C[C@H]([C@H](C)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000425444588 467093877 /nfs/dbraw/zinc/09/38/77/467093877.db2.gz CBFSTCVTKAXJFH-XHSDSOJGSA-N 1 2 344.459 2.370 20 30 EEEDLO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000428079010 467201496 /nfs/dbraw/zinc/20/14/96/467201496.db2.gz OMIFBXGDYZFSCW-ZIAGYGMSSA-N 1 2 338.473 2.258 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000378500993 467324817 /nfs/dbraw/zinc/32/48/17/467324817.db2.gz SKLDKQJJOFRYFX-COXVUDFISA-N 1 2 332.400 2.130 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000378500993 467324819 /nfs/dbraw/zinc/32/48/19/467324819.db2.gz SKLDKQJJOFRYFX-COXVUDFISA-N 1 2 332.400 2.130 20 30 EEEDLO C=CCN(C)CC[N@@H+](CC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000429716030 467362247 /nfs/dbraw/zinc/36/22/47/467362247.db2.gz FLCWPWUFUNPMOS-LJQANCHMSA-N 1 2 340.471 2.493 20 30 EEEDLO C=CCN(C)CC[N@H+](CC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000429716030 467362250 /nfs/dbraw/zinc/36/22/50/467362250.db2.gz FLCWPWUFUNPMOS-LJQANCHMSA-N 1 2 340.471 2.493 20 30 EEEDLO Cc1ccc(C=Cc2nc(SC[C@@H](O)C[N@H+](C)CCC#N)n[nH]2)o1 ZINC000414107978 467378100 /nfs/dbraw/zinc/37/81/00/467378100.db2.gz KWSNJBFVVRYKJS-FWWRYZNZSA-N 1 2 347.444 2.175 20 30 EEEDLO Cc1ccc(C=Cc2nc(SC[C@@H](O)C[N@@H+](C)CCC#N)n[nH]2)o1 ZINC000414107978 467378103 /nfs/dbraw/zinc/37/81/03/467378103.db2.gz KWSNJBFVVRYKJS-FWWRYZNZSA-N 1 2 347.444 2.175 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1ccc(Br)cn1 ZINC000414128613 467380373 /nfs/dbraw/zinc/38/03/73/467380373.db2.gz HIFNNGCPTBSQRS-LLVKDONJSA-N 1 2 330.251 2.143 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1ccc(Br)cn1 ZINC000414128613 467380377 /nfs/dbraw/zinc/38/03/77/467380377.db2.gz HIFNNGCPTBSQRS-LLVKDONJSA-N 1 2 330.251 2.143 20 30 EEEDLO C=C(C)CN(CC)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414593064 467421608 /nfs/dbraw/zinc/42/16/08/467421608.db2.gz VOKFCVDATSQJID-QGZVFWFLSA-N 1 2 343.471 2.144 20 30 EEEDLO C=C(C)CN(CC)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414593064 467421613 /nfs/dbraw/zinc/42/16/13/467421613.db2.gz VOKFCVDATSQJID-QGZVFWFLSA-N 1 2 343.471 2.144 20 30 EEEDLO N#Cc1cccc(C2(C(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)c1 ZINC000435048604 467443206 /nfs/dbraw/zinc/44/32/06/467443206.db2.gz JAMYSBOYEUOMKV-UHFFFAOYSA-N 1 2 332.407 2.334 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000454754122 467613773 /nfs/dbraw/zinc/61/37/73/467613773.db2.gz HDYDATSEVXGZFT-CVEARBPZSA-N 1 2 342.399 2.427 20 30 EEEDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000526058699 467648950 /nfs/dbraw/zinc/64/89/50/467648950.db2.gz DBJQKCVRDIHIIX-HNNXBMFYSA-N 1 2 342.443 2.125 20 30 EEEDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000526058699 467648952 /nfs/dbraw/zinc/64/89/52/467648952.db2.gz DBJQKCVRDIHIIX-HNNXBMFYSA-N 1 2 342.443 2.125 20 30 EEEDLO C=CC[N@H+](Cc1c[nH]nc1-c1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000527108178 467655174 /nfs/dbraw/zinc/65/51/74/467655174.db2.gz IYWPERSIJLMKBV-CQSZACIVSA-N 1 2 337.470 2.313 20 30 EEEDLO C=CC[N@@H+](Cc1c[nH]nc1-c1ccsc1)[C@@H]1CCS(=O)(=O)C1 ZINC000527108178 467655175 /nfs/dbraw/zinc/65/51/75/467655175.db2.gz IYWPERSIJLMKBV-CQSZACIVSA-N 1 2 337.470 2.313 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1csc(Br)c1 ZINC000493162936 467852405 /nfs/dbraw/zinc/85/24/05/467852405.db2.gz VHHKLSSYVGQHKQ-IHVVCDCBSA-N 1 2 342.262 2.484 20 30 EEEDLO C=CCC[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)OCC ZINC000497299657 467928100 /nfs/dbraw/zinc/92/81/00/467928100.db2.gz RQOMJPYKCAQDGU-ZIAGYGMSSA-N 1 2 326.437 2.483 20 30 EEEDLO Cc1cc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)ccc1C#N ZINC000488148763 468073840 /nfs/dbraw/zinc/07/38/40/468073840.db2.gz XXINICQIPHRJNE-QZTJIDSGSA-N 1 2 348.468 2.035 20 30 EEEDLO Cc1cc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)ccc1C#N ZINC000488148763 468073844 /nfs/dbraw/zinc/07/38/44/468073844.db2.gz XXINICQIPHRJNE-QZTJIDSGSA-N 1 2 348.468 2.035 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc2ccc(F)cc2[nH]1 ZINC000488289733 468080202 /nfs/dbraw/zinc/08/02/02/468080202.db2.gz BETIKOGZTYSKLY-UHFFFAOYSA-N 1 2 330.407 2.355 20 30 EEEDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)cc2Cl)CCO1 ZINC000488912593 468111622 /nfs/dbraw/zinc/11/16/22/468111622.db2.gz HCDOZKNYXFOZER-CYBMUJFWSA-N 1 2 336.823 2.444 20 30 EEEDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)cc2Cl)CCO1 ZINC000488912593 468111625 /nfs/dbraw/zinc/11/16/25/468111625.db2.gz HCDOZKNYXFOZER-CYBMUJFWSA-N 1 2 336.823 2.444 20 30 EEEDLO C=CCNC(=O)Cc1noc([C@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000566480532 468153449 /nfs/dbraw/zinc/15/34/49/468153449.db2.gz VFQSGGHRAVKGIO-HNNXBMFYSA-N 1 2 334.807 2.219 20 30 EEEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000533342442 468192719 /nfs/dbraw/zinc/19/27/19/468192719.db2.gz ZIXMSNNNMHYJSI-SNVBAGLBSA-N 1 2 335.205 2.191 20 30 EEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000533342442 468192723 /nfs/dbraw/zinc/19/27/23/468192723.db2.gz ZIXMSNNNMHYJSI-SNVBAGLBSA-N 1 2 335.205 2.191 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000567995390 468253124 /nfs/dbraw/zinc/25/31/24/468253124.db2.gz JBEPNCYORZHQTJ-HNNXBMFYSA-N 1 2 343.349 2.130 20 30 EEEDLO C[NH+](C)Cc1ccc(S(=O)(=O)Nc2cc(CC#N)ccn2)cc1 ZINC000556304759 468519990 /nfs/dbraw/zinc/51/99/90/468519990.db2.gz VHUCDHPSAOIWSC-UHFFFAOYSA-N 1 2 330.413 2.010 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C1 ZINC000592149327 468638514 /nfs/dbraw/zinc/63/85/14/468638514.db2.gz NBUBXCJSEDJWNC-OAHLLOKOSA-N 1 2 338.289 2.004 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C1 ZINC000592149327 468638517 /nfs/dbraw/zinc/63/85/17/468638517.db2.gz NBUBXCJSEDJWNC-OAHLLOKOSA-N 1 2 338.289 2.004 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)C1 ZINC000592149369 468640003 /nfs/dbraw/zinc/64/00/03/468640003.db2.gz NRSMPFOKVWNULE-QGZVFWFLSA-N 1 2 343.456 2.003 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)C1 ZINC000592149369 468640009 /nfs/dbraw/zinc/64/00/09/468640009.db2.gz NRSMPFOKVWNULE-QGZVFWFLSA-N 1 2 343.456 2.003 20 30 EEEDLO CC1CC(C#N)(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)C1 ZINC000597931901 468715137 /nfs/dbraw/zinc/71/51/37/468715137.db2.gz YRULKKVKXYHBMX-TXQOSWKISA-N 1 2 339.439 2.038 20 30 EEEDLO CC1CC(C#N)(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)C1 ZINC000597931901 468715141 /nfs/dbraw/zinc/71/51/41/468715141.db2.gz YRULKKVKXYHBMX-TXQOSWKISA-N 1 2 339.439 2.038 20 30 EEEDLO C=CCN1CC[C@H](N(C)C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1=O ZINC000571295481 468768176 /nfs/dbraw/zinc/76/81/76/468768176.db2.gz ZKGAFZUVXKDWAM-HOTGVXAUSA-N 1 2 349.862 2.188 20 30 EEEDLO Cc1cc(C)c(CNS(=O)(=O)c2c(C)cc(F)cc2C#N)c[nH+]1 ZINC000601433293 468870800 /nfs/dbraw/zinc/87/08/00/468870800.db2.gz GANCZDMKJQJLJK-UHFFFAOYSA-N 1 2 333.388 2.496 20 30 EEEDLO COc1ccc2c(c1)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(C)n2C ZINC000593153259 468888404 /nfs/dbraw/zinc/88/84/04/468888404.db2.gz HTPWARCREQYLOD-SFHVURJKSA-N 1 2 328.416 2.069 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)Cc1c[nH+]c[nH]1 ZINC000595595342 468915917 /nfs/dbraw/zinc/91/59/17/468915917.db2.gz UQLZHSZRHZVDNR-JTQLQIEISA-N 1 2 329.429 2.291 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)Cc1c[nH]c[nH+]1 ZINC000595595342 468915922 /nfs/dbraw/zinc/91/59/22/468915922.db2.gz UQLZHSZRHZVDNR-JTQLQIEISA-N 1 2 329.429 2.291 20 30 EEEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595615203 468923154 /nfs/dbraw/zinc/92/31/54/468923154.db2.gz KXIOZUSNCBSUEG-CYBMUJFWSA-N 1 2 328.372 2.110 20 30 EEEDLO N#CC[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595615203 468923157 /nfs/dbraw/zinc/92/31/57/468923157.db2.gz KXIOZUSNCBSUEG-CYBMUJFWSA-N 1 2 328.372 2.110 20 30 EEEDLO CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613812 468923450 /nfs/dbraw/zinc/92/34/50/468923450.db2.gz FJKNRSRWSRSHRE-AWEZNQCLSA-N 1 2 329.400 2.427 20 30 EEEDLO CCOC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613812 468923454 /nfs/dbraw/zinc/92/34/54/468923454.db2.gz FJKNRSRWSRSHRE-AWEZNQCLSA-N 1 2 329.400 2.427 20 30 EEEDLO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595631219 468930668 /nfs/dbraw/zinc/93/06/68/468930668.db2.gz BYCFBHQBZJJTRS-KGLIPLIRSA-N 1 2 334.489 2.435 20 30 EEEDLO CCOc1ccc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)nn1 ZINC000595889726 469065778 /nfs/dbraw/zinc/06/57/78/469065778.db2.gz BNSXHDKZYLUSLV-UHFFFAOYSA-N 1 2 341.390 2.208 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000610777506 469068950 /nfs/dbraw/zinc/06/89/50/469068950.db2.gz NXSCUIIUBIFKFV-GOSISDBHSA-N 1 2 345.406 2.491 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@H](C(=O)OC)C2)cc1OC ZINC000593679391 469091542 /nfs/dbraw/zinc/09/15/42/469091542.db2.gz XIRSDYTWIIOARV-GUYCJALGSA-N 1 2 335.400 2.022 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2C[C@H](C)O[C@H](C(=O)OC)C2)cc1OC ZINC000593679391 469091548 /nfs/dbraw/zinc/09/15/48/469091548.db2.gz XIRSDYTWIIOARV-GUYCJALGSA-N 1 2 335.400 2.022 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC000587977164 469097670 /nfs/dbraw/zinc/09/76/70/469097670.db2.gz POBIIVAZFTYOQF-KRWDZBQOSA-N 1 2 342.830 2.462 20 30 EEEDLO COCCc1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)c(Cl)c1 ZINC000601963598 469115356 /nfs/dbraw/zinc/11/53/56/469115356.db2.gz KWSAWRSSMQGCNN-AWEZNQCLSA-N 1 2 326.824 2.114 20 30 EEEDLO COCCc1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c(Cl)c1 ZINC000601963598 469115358 /nfs/dbraw/zinc/11/53/58/469115358.db2.gz KWSAWRSSMQGCNN-AWEZNQCLSA-N 1 2 326.824 2.114 20 30 EEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCOC[C@H]2C)cc1 ZINC000610991045 469131719 /nfs/dbraw/zinc/13/17/19/469131719.db2.gz YWRHFQJOVSZELS-MRXNPFEDSA-N 1 2 345.443 2.443 20 30 EEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCOC[C@H]2C)cc1 ZINC000610991045 469131724 /nfs/dbraw/zinc/13/17/24/469131724.db2.gz YWRHFQJOVSZELS-MRXNPFEDSA-N 1 2 345.443 2.443 20 30 EEEDLO CC[C@@H]1CN(c2[nH+]c(C)cc(N3CCO[C@@H](CC)C3)c2C#N)CCO1 ZINC000589102762 469194672 /nfs/dbraw/zinc/19/46/72/469194672.db2.gz CGFPGIXAWHLIOX-JKSUJKDBSA-N 1 2 344.459 2.492 20 30 EEEDLO CS(=O)(=O)C1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000611273989 469217981 /nfs/dbraw/zinc/21/79/81/469217981.db2.gz SOWGIHROZBYBNM-UHFFFAOYSA-N 1 2 336.457 2.378 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1cccc(OC(F)F)c1 ZINC000565052274 469266751 /nfs/dbraw/zinc/26/67/51/469266751.db2.gz WOPCNLQLGZCOJJ-MRXNPFEDSA-N 1 2 325.359 2.181 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(OCC(F)(F)F)c1 ZINC000574330879 469272275 /nfs/dbraw/zinc/27/22/75/469272275.db2.gz ZEWPNMJNRYBHER-CQSZACIVSA-N 1 2 329.322 2.201 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000615793948 469316965 /nfs/dbraw/zinc/31/69/65/469316965.db2.gz VPDBNRXKLDQGIV-QRWLVFNGSA-N 1 2 339.439 2.111 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000615793948 469316968 /nfs/dbraw/zinc/31/69/68/469316968.db2.gz VPDBNRXKLDQGIV-QRWLVFNGSA-N 1 2 339.439 2.111 20 30 EEEDLO COc1cc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(F)cc1C#N ZINC000599814274 469381069 /nfs/dbraw/zinc/38/10/69/469381069.db2.gz ZAYYOBRLXHNLNA-LLVKDONJSA-N 1 2 329.335 2.039 20 30 EEEDLO N#Cc1nc(C2CC2)oc1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000603875984 469439412 /nfs/dbraw/zinc/43/94/12/469439412.db2.gz LPLNAEXQKQGZHL-UHFFFAOYSA-N 1 2 348.410 2.394 20 30 EEEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000618852865 469456290 /nfs/dbraw/zinc/45/62/90/469456290.db2.gz XYMPGMFWIQRJTQ-GOSISDBHSA-N 1 2 347.422 2.472 20 30 EEEDLO N#Cc1cccc(-n2ccc(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)n2)c1 ZINC000619612191 469650877 /nfs/dbraw/zinc/65/08/77/469650877.db2.gz BHVNKDOAZNRRTH-QGZVFWFLSA-N 1 2 346.394 2.418 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C1 ZINC000630567964 469903067 /nfs/dbraw/zinc/90/30/67/469903067.db2.gz RGBWLHABVPTJOM-UHFFFAOYSA-N 1 2 342.439 2.458 20 30 EEEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CC(=O)N(c2cccc(O)c2)C1=O ZINC000609432547 469927200 /nfs/dbraw/zinc/92/72/00/469927200.db2.gz YARRNYBMQOLXOK-QGZVFWFLSA-N 1 2 335.363 2.028 20 30 EEEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CC(=O)N(c2cccc(O)c2)C1=O ZINC000609432547 469927204 /nfs/dbraw/zinc/92/72/04/469927204.db2.gz YARRNYBMQOLXOK-QGZVFWFLSA-N 1 2 335.363 2.028 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000609485395 469932035 /nfs/dbraw/zinc/93/20/35/469932035.db2.gz PHQUVFDBIJAVBL-FJIDUMEYSA-N 1 2 334.508 2.093 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609632816 469951984 /nfs/dbraw/zinc/95/19/84/469951984.db2.gz SYBBJVCEOBIYLI-HNNXBMFYSA-N 1 2 330.413 2.089 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](CCn3ccccc3=O)CC2)c(Cl)c1 ZINC000618326770 469964328 /nfs/dbraw/zinc/96/43/28/469964328.db2.gz XHZDVJPXBBTMSA-UHFFFAOYSA-N 1 2 342.830 2.196 20 30 EEEDLO Cc1csc([C@H](C)[NH2+]CC#CCN2C(=O)c3ccccc3C2=O)n1 ZINC000625322129 470118925 /nfs/dbraw/zinc/11/89/25/470118925.db2.gz SEVOICYJWKSPAX-ZDUSSCGKSA-N 1 2 339.420 2.402 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634302420 470242422 /nfs/dbraw/zinc/24/24/22/470242422.db2.gz CZFXLIORSVOOSO-AWEZNQCLSA-N 1 2 335.473 2.232 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000649128594 470474278 /nfs/dbraw/zinc/47/42/78/470474278.db2.gz GAFBQGAPTRZEKM-XHSDSOJGSA-N 1 2 347.459 2.422 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C(C)C)o2)C1 ZINC000649128594 470474282 /nfs/dbraw/zinc/47/42/82/470474282.db2.gz GAFBQGAPTRZEKM-XHSDSOJGSA-N 1 2 347.459 2.422 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ccccc2CC)nn1 ZINC000640915187 471117327 /nfs/dbraw/zinc/11/73/27/471117327.db2.gz UANUIZSECXIJTF-AWEZNQCLSA-N 1 2 325.416 2.153 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@H]2C[C@@H](C)N(c3ccccc3)C2=O)nn1 ZINC000657377178 471118985 /nfs/dbraw/zinc/11/89/85/471118985.db2.gz NNPVHIYYPKLDHL-PBHICJAKSA-N 1 2 325.416 2.138 20 30 EEEDLO C=CCCn1cc(C[NH2+]Cc2ccncc2OCC(F)(F)F)nn1 ZINC000657459384 471143083 /nfs/dbraw/zinc/14/30/83/471143083.db2.gz ZODYSZPFCUONDT-UHFFFAOYSA-N 1 2 341.337 2.480 20 30 EEEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000669188631 471413876 /nfs/dbraw/zinc/41/38/76/471413876.db2.gz BPRQKOQKTTXJMA-YJBOKZPZSA-N 1 2 341.455 2.104 20 30 EEEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000669188631 471413882 /nfs/dbraw/zinc/41/38/82/471413882.db2.gz BPRQKOQKTTXJMA-YJBOKZPZSA-N 1 2 341.455 2.104 20 30 EEEDLO C=CCCn1cc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)nn1 ZINC000653497797 471640983 /nfs/dbraw/zinc/64/09/83/471640983.db2.gz YOSSFXVLDKNYEX-MRXNPFEDSA-N 1 2 345.491 2.325 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)nn1 ZINC000653603298 471683852 /nfs/dbraw/zinc/68/38/52/471683852.db2.gz GLQCYLHPUKHVFP-QGZVFWFLSA-N 1 2 327.432 2.163 20 30 EEEDLO C=CCN1CC[C@@H]([NH2+][C@@H](CO)c2cccc(Cl)c2Cl)C1=O ZINC000662052422 471969385 /nfs/dbraw/zinc/96/93/85/471969385.db2.gz RITDRGRUWWFQFE-OLZOCXBDSA-N 1 2 329.227 2.403 20 30 EEEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000682446733 486470793 /nfs/dbraw/zinc/47/07/93/486470793.db2.gz CGDFVIAENDPHSL-ZDUSSCGKSA-N 1 2 339.399 2.392 20 30 EEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cc(F)ccc1Br ZINC000112335609 526690305 /nfs/dbraw/zinc/69/03/05/526690305.db2.gz RTJSCFATIGVJEH-UHFFFAOYSA-N 1 2 346.200 2.292 20 30 EEEDLO C=CCC(C)(C)C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000292672798 526993762 /nfs/dbraw/zinc/99/37/62/526993762.db2.gz FXKNJNDLCBLQEK-UHFFFAOYSA-N 1 2 344.459 2.002 20 30 EEEDLO CC(C)CC[C@@H]1CCCC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000727254364 576415461 /nfs/dbraw/zinc/41/54/61/576415461.db2.gz ROYLCHWKZUHGDC-HNNXBMFYSA-N 1 2 340.537 2.375 20 30 EEEDLO CCCC(C)N=Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000727971823 576465088 /nfs/dbraw/zinc/46/50/88/576465088.db2.gz KPIAZBZWYOLUJC-UHFFFAOYSA-N 1 2 338.477 2.211 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(OC)c2)nc1 ZINC000728803286 576530883 /nfs/dbraw/zinc/53/08/83/576530883.db2.gz WYPYATYQCQHIPT-GOSISDBHSA-N 1 2 346.390 2.324 20 30 EEEDLO COC(=O)c1ccccc1N[NH+]=Cc1ccc(N(C)CCO)cc1 ZINC000776190031 577454159 /nfs/dbraw/zinc/45/41/59/577454159.db2.gz VXKYPQJCEAUFPS-UHFFFAOYSA-N 1 2 327.384 2.348 20 30 EEEDLO CCOC(=O)N1CCC[C@H]([C@H](C)/[NH+]=C/c2ccc(O)c(O)c2O)C1 ZINC000776722270 577466505 /nfs/dbraw/zinc/46/65/05/577466505.db2.gz PRIKGVSBGWVIGK-WJEQHTBISA-N 1 2 336.388 2.479 20 30 EEEDLO C=CCn1nnn(C[N@@H+](C)[C@@H]2C[C@@H](OC)C2(CC)CC)c1=S ZINC000765124218 577495503 /nfs/dbraw/zinc/49/55/03/577495503.db2.gz MGIBPCCAYXXKIB-CHWSQXEVSA-N 1 2 325.482 2.478 20 30 EEEDLO C=CCn1nnn(C[N@H+](C)[C@@H]2C[C@@H](OC)C2(CC)CC)c1=S ZINC000765124218 577495504 /nfs/dbraw/zinc/49/55/04/577495504.db2.gz MGIBPCCAYXXKIB-CHWSQXEVSA-N 1 2 325.482 2.478 20 30 EEEDLO COc1cccc(S(C)(=O)=O)c1N=NC1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000767392162 577535973 /nfs/dbraw/zinc/53/59/73/577535973.db2.gz NVJSXTXYIDDNCF-NSHDSACASA-N 1 2 337.445 2.123 20 30 EEEDLO COc1cccc(S(C)(=O)=O)c1N=NC1C[C@H](C)[N@H+](C2CC2)C1 ZINC000767392162 577535974 /nfs/dbraw/zinc/53/59/74/577535974.db2.gz NVJSXTXYIDDNCF-NSHDSACASA-N 1 2 337.445 2.123 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)O[C@H](Cc2c(F)cccc2F)C(C)=O)CC1 ZINC000768693965 577561006 /nfs/dbraw/zinc/56/10/06/577561006.db2.gz WKZYSTHIFPXYPH-GOSISDBHSA-N 1 2 349.377 2.353 20 30 EEEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000769466040 577578505 /nfs/dbraw/zinc/57/85/05/577578505.db2.gz GNKQOUMTINUNSR-QGZVFWFLSA-N 1 2 331.412 2.241 20 30 EEEDLO C#CCOc1ccc(C[N@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000769466040 577578506 /nfs/dbraw/zinc/57/85/06/577578506.db2.gz GNKQOUMTINUNSR-QGZVFWFLSA-N 1 2 331.412 2.241 20 30 EEEDLO N#Cc1cccn(C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)c1=O ZINC000758250267 577620199 /nfs/dbraw/zinc/62/01/99/577620199.db2.gz XHIQRYJEDXHGDN-UHFFFAOYSA-N 1 2 349.390 2.238 20 30 EEEDLO N#Cc1cccn(C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)c1=O ZINC000758250267 577620200 /nfs/dbraw/zinc/62/02/00/577620200.db2.gz XHIQRYJEDXHGDN-UHFFFAOYSA-N 1 2 349.390 2.238 20 30 EEEDLO CC(=[NH+]NC(=S)NC[C@@H]1CCCO1)c1ccc(F)cc1N(C)C ZINC000759187201 577638663 /nfs/dbraw/zinc/63/86/63/577638663.db2.gz KLTBZMCRCKWVGS-ZDUSSCGKSA-N 1 2 338.452 2.259 20 30 EEEDLO CC(C)c1ccc(CC=NNC(=S)NCC[NH+]2CCOCC2)cc1 ZINC000760247679 577659360 /nfs/dbraw/zinc/65/93/60/577659360.db2.gz GBRVRIVAJBRIGD-UHFFFAOYSA-N 1 2 348.516 2.135 20 30 EEEDLO CCOC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)C(C)(C)C ZINC000760915899 577671990 /nfs/dbraw/zinc/67/19/90/577671990.db2.gz CPYNXNSKRJGNNG-MRXNPFEDSA-N 1 2 331.416 2.454 20 30 EEEDLO N#Cc1cccc([C@H]2CN(c3cc(-n4cc[nH+]c4)ncn3)CCO2)c1 ZINC000761245655 577680398 /nfs/dbraw/zinc/68/03/98/577680398.db2.gz JPDJLWCKEYNOKT-MRXNPFEDSA-N 1 2 332.367 2.112 20 30 EEEDLO C=CCN1C(=O)C(=NNc2ccc(-n3cc[nH+]c3)nn2)c2ccccc21 ZINC000761861222 577690387 /nfs/dbraw/zinc/69/03/87/577690387.db2.gz XLTYSCVHZHZTJK-UHFFFAOYSA-N 1 2 345.366 2.011 20 30 EEEDLO C[C@@H]1C[N@H+](CC/N=C/c2cc(Br)ccc2O)CCO1 ZINC000750950110 577745855 /nfs/dbraw/zinc/74/58/55/577745855.db2.gz ORRQNCKBZZWKMA-LKBVRNOZSA-N 1 2 327.222 2.294 20 30 EEEDLO C[C@@H]1C[N@@H+](CC/N=C/c2cc(Br)ccc2O)CCO1 ZINC000750950110 577745856 /nfs/dbraw/zinc/74/58/56/577745856.db2.gz ORRQNCKBZZWKMA-LKBVRNOZSA-N 1 2 327.222 2.294 20 30 EEEDLO C#CCOCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000753384742 577786373 /nfs/dbraw/zinc/78/63/73/577786373.db2.gz RQBRMJHMAFTSKI-QZTJIDSGSA-N 1 2 338.411 2.061 20 30 EEEDLO Cc1cc(C)n(-c2nncn2N=Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000744755053 577902481 /nfs/dbraw/zinc/90/24/81/577902481.db2.gz GVJQIDJQJFXDKS-UHFFFAOYSA-N 1 2 332.371 2.149 20 30 EEEDLO C#CCCCNC(=O)N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000745900086 577920322 /nfs/dbraw/zinc/92/03/22/577920322.db2.gz WXHXXMJBHMOIGN-QGZVFWFLSA-N 1 2 349.862 2.114 20 30 EEEDLO CC(=NNc1nc(=O)cc(C)[nH]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735609789 578161362 /nfs/dbraw/zinc/16/13/62/578161362.db2.gz ZXTCPWQUNBVJPC-MRXNPFEDSA-N 1 2 341.415 2.179 20 30 EEEDLO CC(=NNc1nc(=O)cc(C)[nH]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735609789 578161363 /nfs/dbraw/zinc/16/13/63/578161363.db2.gz ZXTCPWQUNBVJPC-MRXNPFEDSA-N 1 2 341.415 2.179 20 30 EEEDLO Clc1ccc2[nH+]cc(CN=Nc3ccc(-n4cccn4)nn3)n2c1 ZINC000737430339 578257085 /nfs/dbraw/zinc/25/70/85/578257085.db2.gz PTOXKJXXADTJTN-UHFFFAOYSA-N 1 2 338.762 2.409 20 30 EEEDLO C[C@@H](NC(=O)c1cncs1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969358371 674878732 /nfs/dbraw/zinc/87/87/32/674878732.db2.gz GEZQCCJYWLTGKQ-GFCCVEGCSA-N 1 2 326.425 2.265 20 30 EEEDLO C[C@@H](NC(=O)c1cscn1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969399120 674943271 /nfs/dbraw/zinc/94/32/71/674943271.db2.gz SKJRWMNXCURKAJ-LLVKDONJSA-N 1 2 344.415 2.404 20 30 EEEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2cccc(F)c2F)C1 ZINC000969463862 675059189 /nfs/dbraw/zinc/05/91/89/675059189.db2.gz WLSSQSVEWGJKBB-LLVKDONJSA-N 1 2 344.365 2.415 20 30 EEEDLO C[C@@H](NC(=O)c1nccs1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970637303 676041032 /nfs/dbraw/zinc/04/10/32/676041032.db2.gz QKYJFIMKYFBYHF-LLVKDONJSA-N 1 2 344.415 2.404 20 30 EEEDLO C[C@H](NC(=O)c1ncccc1F)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970649185 676051084 /nfs/dbraw/zinc/05/10/84/676051084.db2.gz MPNQXYHMSVQGKW-ZDUSSCGKSA-N 1 2 338.386 2.343 20 30 EEEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCC#C[C@H]1CCCCO1 ZINC000891112569 676070844 /nfs/dbraw/zinc/07/08/44/676070844.db2.gz LZRNJCJIRDSOKI-CHWSQXEVSA-N 1 2 329.322 2.065 20 30 EEEDLO C=C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1)c1ccccc1 ZINC000970777099 676142882 /nfs/dbraw/zinc/14/28/82/676142882.db2.gz MQXLINLDPNMNJF-HZPDHXFCSA-N 1 2 326.400 2.038 20 30 EEEDLO C=C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1)c1ccccc1 ZINC000970776140 676143829 /nfs/dbraw/zinc/14/38/29/676143829.db2.gz AKDKANQIUZFTPS-GDBMZVCRSA-N 1 2 328.441 2.198 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H](C)C1C[NH+](Cc2nocc2C)C1 ZINC000969837325 675239773 /nfs/dbraw/zinc/23/97/73/675239773.db2.gz RAQVPROKQUQWFC-CQSZACIVSA-N 1 2 328.416 2.221 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H](C)C1C[NH+](Cc2snnc2C)C1 ZINC000969841477 675243561 /nfs/dbraw/zinc/24/35/61/675243561.db2.gz JRVZRXRJQLWANI-GFCCVEGCSA-N 1 2 345.472 2.084 20 30 EEEDLO C=C(Br)C[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000970317618 675782373 /nfs/dbraw/zinc/78/23/73/675782373.db2.gz DROXWZANHHNWLE-LLVKDONJSA-N 1 2 349.232 2.276 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(=O)[nH]c3c2CCCC3)C1 ZINC000970997469 676304499 /nfs/dbraw/zinc/30/44/99/676304499.db2.gz VHRUQCUTJLHISC-LBPRGKRZSA-N 1 2 349.862 2.469 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(C)n2)C1 ZINC000971097580 676371155 /nfs/dbraw/zinc/37/11/55/676371155.db2.gz DKELCGRKDXAAKP-CYBMUJFWSA-N 1 2 338.249 2.445 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc4occc4s3)CC2)C1 ZINC000949471280 676382978 /nfs/dbraw/zinc/38/29/78/676382978.db2.gz VTRBIVTWLDBDTJ-UHFFFAOYSA-N 1 2 344.436 2.435 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc4occc4s3)CC2)C1 ZINC000949471280 676382979 /nfs/dbraw/zinc/38/29/79/676382979.db2.gz VTRBIVTWLDBDTJ-UHFFFAOYSA-N 1 2 344.436 2.435 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cscn2)C1 ZINC000971191673 676435687 /nfs/dbraw/zinc/43/56/87/676435687.db2.gz ONAQUVXPNICKKX-SNVBAGLBSA-N 1 2 330.251 2.198 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2cscn2)C1 ZINC000971191673 676435689 /nfs/dbraw/zinc/43/56/89/676435689.db2.gz ONAQUVXPNICKKX-SNVBAGLBSA-N 1 2 330.251 2.198 20 30 EEEDLO C[N@H+](Cc1cnc(Cl)s1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971365036 676503186 /nfs/dbraw/zinc/50/31/86/676503186.db2.gz AQSNSFNLAVKQNT-LLVKDONJSA-N 1 2 349.847 2.343 20 30 EEEDLO C[N@@H+](Cc1cnc(Cl)s1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971365036 676503187 /nfs/dbraw/zinc/50/31/87/676503187.db2.gz AQSNSFNLAVKQNT-LLVKDONJSA-N 1 2 349.847 2.343 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)cs2)C1 ZINC000971555875 676623816 /nfs/dbraw/zinc/62/38/16/676623816.db2.gz LTXYXQIMXQMMOV-OAGGEKHMSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)cs2)C1 ZINC000971555875 676623819 /nfs/dbraw/zinc/62/38/19/676623819.db2.gz LTXYXQIMXQMMOV-OAGGEKHMSA-N 1 2 349.500 2.465 20 30 EEEDLO Cn1nccc1[C@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000933530451 676702850 /nfs/dbraw/zinc/70/28/50/676702850.db2.gz CRWZEOAVEQHOFL-GOSISDBHSA-N 1 2 326.400 2.134 20 30 EEEDLO Cn1nccc1[C@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000933530451 676702852 /nfs/dbraw/zinc/70/28/52/676702852.db2.gz CRWZEOAVEQHOFL-GOSISDBHSA-N 1 2 326.400 2.134 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3cnn(CC4CCC4)c3)CC2)nc1 ZINC000891580496 676706431 /nfs/dbraw/zinc/70/64/31/676706431.db2.gz KDHXOIGOKAYWRB-UHFFFAOYSA-N 1 2 336.443 2.272 20 30 EEEDLO Cn1nc2c(c1C[NH+]1CCN(c3ccc(C#N)cc3F)CC1)CCC2 ZINC000891827263 676850905 /nfs/dbraw/zinc/85/09/05/676850905.db2.gz UAZNZIUHFVEGKM-UHFFFAOYSA-N 1 2 339.418 2.242 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](Cc2ccc(C(=O)NC)cc2)CC1 ZINC000949635586 678360116 /nfs/dbraw/zinc/36/01/16/678360116.db2.gz DDZJWCOVDFQHRT-UHFFFAOYSA-N 1 2 343.471 2.293 20 30 EEEDLO Cc1cc(N(C)C[C@H]2CCCN2C(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001067743080 678381686 /nfs/dbraw/zinc/38/16/86/678381686.db2.gz VCOIZQWPWXSNLU-UKRRQHHQSA-N 1 2 329.448 2.495 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](OC)C(C)C)C1 ZINC000972243767 678447148 /nfs/dbraw/zinc/44/71/48/678447148.db2.gz YCXKFYFAQSMNKX-CHWSQXEVSA-N 1 2 333.270 2.099 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](OC)C(C)C)C1 ZINC000972243767 678447151 /nfs/dbraw/zinc/44/71/51/678447151.db2.gz YCXKFYFAQSMNKX-CHWSQXEVSA-N 1 2 333.270 2.099 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(C)C)nc3)C2)C1 ZINC000972411405 678701829 /nfs/dbraw/zinc/70/18/29/678701829.db2.gz ZPTKEHKUSCBKQA-HXUWFJFHSA-N 1 2 341.455 2.145 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(C)C)nc3)C2)C1 ZINC000972411405 678701833 /nfs/dbraw/zinc/70/18/33/678701833.db2.gz ZPTKEHKUSCBKQA-HXUWFJFHSA-N 1 2 341.455 2.145 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)C1 ZINC000972430826 678730186 /nfs/dbraw/zinc/73/01/86/678730186.db2.gz KXPFYMQBESTAOE-LZLYRXPVSA-N 1 2 332.469 2.341 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)C1 ZINC000972430826 678730190 /nfs/dbraw/zinc/73/01/90/678730190.db2.gz KXPFYMQBESTAOE-LZLYRXPVSA-N 1 2 332.469 2.341 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3ccc(F)cc3)C2)C1 ZINC000972453345 678771528 /nfs/dbraw/zinc/77/15/28/678771528.db2.gz KXHFVDOSZOKETD-HXUWFJFHSA-N 1 2 344.430 2.085 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3ccc(F)cc3)C2)C1 ZINC000972453345 678771531 /nfs/dbraw/zinc/77/15/31/678771531.db2.gz KXHFVDOSZOKETD-HXUWFJFHSA-N 1 2 344.430 2.085 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 ZINC000972454752 678777941 /nfs/dbraw/zinc/77/79/41/678777941.db2.gz XXCJCFALJMPFCS-NRFANRHFSA-N 1 2 349.434 2.027 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 ZINC000972454752 678777944 /nfs/dbraw/zinc/77/79/44/678777944.db2.gz XXCJCFALJMPFCS-NRFANRHFSA-N 1 2 349.434 2.027 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H]4C[C@@H]4CC3)C2)C1 ZINC000972479063 678843222 /nfs/dbraw/zinc/84/32/22/678843222.db2.gz PUJKAVXYKYJENF-AJYBTWMASA-N 1 2 330.472 2.139 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H]4C[C@@H]4CC3)C2)C1 ZINC000972479063 678843223 /nfs/dbraw/zinc/84/32/23/678843223.db2.gz PUJKAVXYKYJENF-AJYBTWMASA-N 1 2 330.472 2.139 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCCC3(F)F)C2)C1 ZINC000972516636 679137672 /nfs/dbraw/zinc/13/76/72/679137672.db2.gz BAQRLNONNJSPOU-GDBMZVCRSA-N 1 2 328.403 2.301 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCCC3(F)F)C2)C1 ZINC000972516636 679137674 /nfs/dbraw/zinc/13/76/74/679137674.db2.gz BAQRLNONNJSPOU-GDBMZVCRSA-N 1 2 328.403 2.301 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C)cc3F)C2)C1 ZINC000972571107 679326551 /nfs/dbraw/zinc/32/65/51/679326551.db2.gz IDFPXPDKFMDZRO-IBGZPJMESA-N 1 2 330.403 2.074 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C)cc3F)C2)C1 ZINC000972571107 679326554 /nfs/dbraw/zinc/32/65/54/679326554.db2.gz IDFPXPDKFMDZRO-IBGZPJMESA-N 1 2 330.403 2.074 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C)c3)C2)C1 ZINC000972590738 679378217 /nfs/dbraw/zinc/37/82/17/679378217.db2.gz UREXAWASWSZRNQ-ZVDOUQERSA-N 1 2 338.451 2.035 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C)c3)C2)C1 ZINC000972590738 679378218 /nfs/dbraw/zinc/37/82/18/679378218.db2.gz UREXAWASWSZRNQ-ZVDOUQERSA-N 1 2 338.451 2.035 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3C)C2)C1 ZINC000972596097 679389127 /nfs/dbraw/zinc/38/91/27/679389127.db2.gz HVGRIGQJKPVVFV-QKNQBKEWSA-N 1 2 338.451 2.035 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3C)C2)C1 ZINC000972596097 679389129 /nfs/dbraw/zinc/38/91/29/679389129.db2.gz HVGRIGQJKPVVFV-QKNQBKEWSA-N 1 2 338.451 2.035 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccc(C)s3)C2)C1 ZINC000972631767 679462056 /nfs/dbraw/zinc/46/20/56/679462056.db2.gz OKSOHCADNAKSME-VQIMIIECSA-N 1 2 346.496 2.487 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccc(C)s3)C2)C1 ZINC000972631767 679462058 /nfs/dbraw/zinc/46/20/58/679462058.db2.gz OKSOHCADNAKSME-VQIMIIECSA-N 1 2 346.496 2.487 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(C)C)cc3)C2)C1 ZINC000972649283 679507130 /nfs/dbraw/zinc/50/71/30/679507130.db2.gz HKQFRCNLLUKNLL-HXUWFJFHSA-N 1 2 326.440 2.360 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(C)C)cc3)C2)C1 ZINC000972649283 679507132 /nfs/dbraw/zinc/50/71/32/679507132.db2.gz HKQFRCNLLUKNLL-HXUWFJFHSA-N 1 2 326.440 2.360 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000972654315 679516527 /nfs/dbraw/zinc/51/65/27/679516527.db2.gz OOCFZYZXYWTINI-PVPPHXKSSA-N 1 2 342.483 2.139 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000972654315 679516531 /nfs/dbraw/zinc/51/65/31/679516531.db2.gz OOCFZYZXYWTINI-PVPPHXKSSA-N 1 2 342.483 2.139 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3occ4c3CCCC4)C2)C1 ZINC000972654467 679517037 /nfs/dbraw/zinc/51/70/37/679517037.db2.gz PUJOIPNFFQJCSD-IBGZPJMESA-N 1 2 330.428 2.261 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3occ4c3CCCC4)C2)C1 ZINC000972654467 679517038 /nfs/dbraw/zinc/51/70/38/679517038.db2.gz PUJOIPNFFQJCSD-IBGZPJMESA-N 1 2 330.428 2.261 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)c3ccccc3)C2)C1 ZINC000972663664 679532473 /nfs/dbraw/zinc/53/24/73/679532473.db2.gz AFHJYZQEXOZBTR-YLJYHZDGSA-N 1 2 326.440 2.117 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)c3ccccc3)C2)C1 ZINC000972663664 679532476 /nfs/dbraw/zinc/53/24/76/679532476.db2.gz AFHJYZQEXOZBTR-YLJYHZDGSA-N 1 2 326.440 2.117 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4cnccc43)C2)C1 ZINC000972675584 679584652 /nfs/dbraw/zinc/58/46/52/679584652.db2.gz ZSUMKLFBYIAOHN-NRFANRHFSA-N 1 2 349.434 2.175 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4cnccc43)C2)C1 ZINC000972675584 679584655 /nfs/dbraw/zinc/58/46/55/679584655.db2.gz ZSUMKLFBYIAOHN-NRFANRHFSA-N 1 2 349.434 2.175 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccccc3C)C2)C1 ZINC000972684244 679599187 /nfs/dbraw/zinc/59/91/87/679599187.db2.gz JLZBUQULELGKLR-XLIONFOSSA-N 1 2 326.440 2.035 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccccc3C)C2)C1 ZINC000972684244 679599189 /nfs/dbraw/zinc/59/91/89/679599189.db2.gz JLZBUQULELGKLR-XLIONFOSSA-N 1 2 326.440 2.035 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc2n[nH]nc21 ZINC001024454598 679914635 /nfs/dbraw/zinc/91/46/35/679914635.db2.gz GEOBWTNWJLZSKS-LBPRGKRZSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc2n[nH]nc21 ZINC001024454598 679914640 /nfs/dbraw/zinc/91/46/40/679914640.db2.gz GEOBWTNWJLZSKS-LBPRGKRZSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn2cccnc2n1 ZINC001024529943 680045122 /nfs/dbraw/zinc/04/51/22/680045122.db2.gz ATJXGAHXOQLLQH-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cn2cccnc2n1 ZINC001024529943 680045128 /nfs/dbraw/zinc/04/51/28/680045128.db2.gz ATJXGAHXOQLLQH-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCCC3)C(C)(C)C1 ZINC000974723102 685334651 /nfs/dbraw/zinc/33/46/51/685334651.db2.gz ZPSPICCWSISHNC-OAHLLOKOSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCCC3)C(C)(C)C1 ZINC000974723102 685334656 /nfs/dbraw/zinc/33/46/56/685334656.db2.gz ZPSPICCWSISHNC-OAHLLOKOSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc3nnc(C)n3c2)C(C)(C)C1 ZINC000974749515 685375977 /nfs/dbraw/zinc/37/59/77/685375977.db2.gz AILGMZNGAJYMMF-CQSZACIVSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc3nnc(C)n3c2)C(C)(C)C1 ZINC000974749515 685375986 /nfs/dbraw/zinc/37/59/86/685375986.db2.gz AILGMZNGAJYMMF-CQSZACIVSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2ccnn2)c1 ZINC001028350171 681208033 /nfs/dbraw/zinc/20/80/33/681208033.db2.gz FEORBGRVATXWQJ-INIZCTEOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2ccnn2)c1 ZINC001028350171 681208041 /nfs/dbraw/zinc/20/80/41/681208041.db2.gz FEORBGRVATXWQJ-INIZCTEOSA-N 1 2 345.834 2.214 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001006909741 681287463 /nfs/dbraw/zinc/28/74/63/681287463.db2.gz WKAAAHQYPULIAI-QZTJIDSGSA-N 1 2 327.428 2.065 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001006909741 681287465 /nfs/dbraw/zinc/28/74/65/681287465.db2.gz WKAAAHQYPULIAI-QZTJIDSGSA-N 1 2 327.428 2.065 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccnnc1 ZINC001024673160 681331755 /nfs/dbraw/zinc/33/17/55/681331755.db2.gz JFXFUBYCBUBJBU-GOSISDBHSA-N 1 2 335.411 2.133 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccnnc1 ZINC001024673160 681331759 /nfs/dbraw/zinc/33/17/59/681331759.db2.gz JFXFUBYCBUBJBU-GOSISDBHSA-N 1 2 335.411 2.133 20 30 EEEDLO C[C@@]1(C(=O)N2CCC[N@H+](Cc3cc(C#N)ccc3F)CC2)CCOC1 ZINC000982871556 681443789 /nfs/dbraw/zinc/44/37/89/681443789.db2.gz NQHFKPDOQSWKOY-LJQANCHMSA-N 1 2 345.418 2.158 20 30 EEEDLO C[C@@]1(C(=O)N2CCC[N@@H+](Cc3cc(C#N)ccc3F)CC2)CCOC1 ZINC000982871556 681443792 /nfs/dbraw/zinc/44/37/92/681443792.db2.gz NQHFKPDOQSWKOY-LJQANCHMSA-N 1 2 345.418 2.158 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(N(C)C)cn1 ZINC001024819370 681467711 /nfs/dbraw/zinc/46/77/11/681467711.db2.gz NZSRRYCCDUEMCW-OAHLLOKOSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(N(C)C)cn1 ZINC001024819370 681467712 /nfs/dbraw/zinc/46/77/12/681467712.db2.gz NZSRRYCCDUEMCW-OAHLLOKOSA-N 1 2 336.867 2.484 20 30 EEEDLO COc1c(C)c[nH+]c(CNC(=O)NCC#C[C@H]2CCCCO2)c1C ZINC000892517074 681497923 /nfs/dbraw/zinc/49/79/23/681497923.db2.gz AFQOLSCRQYWHNY-OAHLLOKOSA-N 1 2 331.416 2.079 20 30 EEEDLO CC(C)(C)c1noc(C[NH2+]C[C@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC001024959740 681640792 /nfs/dbraw/zinc/64/07/92/681640792.db2.gz HALJPAWLLTWIBT-OAHLLOKOSA-N 1 2 344.459 2.251 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001025037982 681798806 /nfs/dbraw/zinc/79/88/06/681798806.db2.gz PUEXROLVWUFKKT-CQSZACIVSA-N 1 2 349.479 2.209 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CCC2(F)F)cc1C#N ZINC001038396451 681899520 /nfs/dbraw/zinc/89/95/20/681899520.db2.gz HRHLIUVVLFXVMO-LSDHHAIUSA-N 1 2 349.381 2.303 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CCC2(F)F)cc1C#N ZINC001038396451 681899527 /nfs/dbraw/zinc/89/95/27/681899527.db2.gz HRHLIUVVLFXVMO-LSDHHAIUSA-N 1 2 349.381 2.303 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nc(COC)no2)C1 ZINC001025074251 681969364 /nfs/dbraw/zinc/96/93/64/681969364.db2.gz JULCQDNOSXYTMI-CQSZACIVSA-N 1 2 348.447 2.043 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)CCn2cccc2)CC1 ZINC000982747409 682130682 /nfs/dbraw/zinc/13/06/82/682130682.db2.gz RYYNZNMMJIQYOC-UHFFFAOYSA-N 1 2 336.439 2.484 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCn2cccc2)CC1 ZINC000982747409 682130685 /nfs/dbraw/zinc/13/06/85/682130685.db2.gz RYYNZNMMJIQYOC-UHFFFAOYSA-N 1 2 336.439 2.484 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](NC(=O)C(C)(F)F)C1 ZINC001006566594 682688071 /nfs/dbraw/zinc/68/80/71/682688071.db2.gz NRAHEKRZMXVAGU-AWEZNQCLSA-N 1 2 337.370 2.303 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](NC(=O)C(C)(F)F)C1 ZINC001006566594 682688073 /nfs/dbraw/zinc/68/80/73/682688073.db2.gz NRAHEKRZMXVAGU-AWEZNQCLSA-N 1 2 337.370 2.303 20 30 EEEDLO Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)n1 ZINC001029507837 685607822 /nfs/dbraw/zinc/60/78/22/685607822.db2.gz DYJKRXTVCCTEQK-HDICACEKSA-N 1 2 334.423 2.059 20 30 EEEDLO Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)n1 ZINC001029507837 685607825 /nfs/dbraw/zinc/60/78/25/685607825.db2.gz DYJKRXTVCCTEQK-HDICACEKSA-N 1 2 334.423 2.059 20 30 EEEDLO Cc1cc(N[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)nc(C(C)C)[nH+]1 ZINC001059182243 683074247 /nfs/dbraw/zinc/07/42/47/683074247.db2.gz GQWRQUDEFWSIKE-HDJSIYSDSA-N 1 2 338.415 2.481 20 30 EEEDLO C=C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1)c1ccccc1 ZINC001019805165 683456241 /nfs/dbraw/zinc/45/62/41/683456241.db2.gz VDGUTTJCQSWVHE-LSDHHAIUSA-N 1 2 328.441 2.198 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c(C)s1 ZINC001007144660 683954322 /nfs/dbraw/zinc/95/43/22/683954322.db2.gz STPLOTJHQKIOHY-AWEZNQCLSA-N 1 2 343.456 2.354 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c(C)s1 ZINC001007144660 683954326 /nfs/dbraw/zinc/95/43/26/683954326.db2.gz STPLOTJHQKIOHY-AWEZNQCLSA-N 1 2 343.456 2.354 20 30 EEEDLO Cc1cnc(C[N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C)s1 ZINC000993172565 684040543 /nfs/dbraw/zinc/04/05/43/684040543.db2.gz RYCRHNBVXUVFRO-JSGCOSHPSA-N 1 2 343.456 2.434 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C)s1 ZINC000993172565 684040546 /nfs/dbraw/zinc/04/05/46/684040546.db2.gz RYCRHNBVXUVFRO-JSGCOSHPSA-N 1 2 343.456 2.434 20 30 EEEDLO O=C1[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2O)CCCN1O ZINC000895156262 684142368 /nfs/dbraw/zinc/14/23/68/684142368.db2.gz BHXLYUWDBGANQX-SNVBAGLBSA-N 1 2 349.612 2.278 20 30 EEEDLO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H]1CCCN(O)C1=O ZINC000895164266 684166751 /nfs/dbraw/zinc/16/67/51/684166751.db2.gz BJEKVORAAHLNEM-AWEZNQCLSA-N 1 2 334.807 2.304 20 30 EEEDLO C#CCSCC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000896164107 684867319 /nfs/dbraw/zinc/86/73/19/684867319.db2.gz GJQISKUPIQSGOP-HNNXBMFYSA-N 1 2 332.469 2.267 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1CCCO1 ZINC001006668125 684960712 /nfs/dbraw/zinc/96/07/12/684960712.db2.gz BMFJBYVPCHJQTQ-QZTJIDSGSA-N 1 2 346.858 2.451 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1CCCO1 ZINC001006668125 684960714 /nfs/dbraw/zinc/96/07/14/684960714.db2.gz BMFJBYVPCHJQTQ-QZTJIDSGSA-N 1 2 346.858 2.451 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3c[nH]nc32)C(C)(C)C1 ZINC000974598278 685095921 /nfs/dbraw/zinc/09/59/21/685095921.db2.gz BJFLOABEVWUHQU-ZIAGYGMSSA-N 1 2 336.867 2.409 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3c[nH]nc32)C(C)(C)C1 ZINC000974598278 685095928 /nfs/dbraw/zinc/09/59/28/685095928.db2.gz BJFLOABEVWUHQU-ZIAGYGMSSA-N 1 2 336.867 2.409 20 30 EEEDLO N#Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)s1 ZINC001026855389 685190619 /nfs/dbraw/zinc/19/06/19/685190619.db2.gz GIOCFXHJJGVQMX-SKDRFNHKSA-N 1 2 349.353 2.458 20 30 EEEDLO N#Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)s1 ZINC001026855389 685190621 /nfs/dbraw/zinc/19/06/21/685190621.db2.gz GIOCFXHJJGVQMX-SKDRFNHKSA-N 1 2 349.353 2.458 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2ccc(OC)cn2)C(C)(C)C1 ZINC000974951927 685780552 /nfs/dbraw/zinc/78/05/52/685780552.db2.gz CDUUTOTVZLASGG-OAHLLOKOSA-N 1 2 337.851 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2ccc(OC)cn2)C(C)(C)C1 ZINC000974951927 685780558 /nfs/dbraw/zinc/78/05/58/685780558.db2.gz CDUUTOTVZLASGG-OAHLLOKOSA-N 1 2 337.851 2.212 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(CC)o3)[C@@H](C)C2)C1 ZINC000947702047 686326444 /nfs/dbraw/zinc/32/64/44/686326444.db2.gz IXVVUXWVIKZSBN-UONOGXRCSA-N 1 2 332.448 2.457 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(CC)o3)[C@@H](C)C2)C1 ZINC000947702047 686326453 /nfs/dbraw/zinc/32/64/53/686326453.db2.gz IXVVUXWVIKZSBN-UONOGXRCSA-N 1 2 332.448 2.457 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000938220506 694044654 /nfs/dbraw/zinc/04/46/54/694044654.db2.gz QJRUTPZEQXCMPH-ZDUSSCGKSA-N 1 2 326.400 2.106 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC001027266106 687006050 /nfs/dbraw/zinc/00/60/50/687006050.db2.gz SEPSPCRESSPYHK-AWEZNQCLSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC001027266106 687006055 /nfs/dbraw/zinc/00/60/55/687006055.db2.gz SEPSPCRESSPYHK-AWEZNQCLSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC([N@H+](C)Cc2nnnn2C2CC2)CC1 ZINC000985619036 687323041 /nfs/dbraw/zinc/32/30/41/687323041.db2.gz NPYLZNSXBDTKPN-GOSISDBHSA-N 1 2 346.479 2.033 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC([N@@H+](C)Cc2nnnn2C2CC2)CC1 ZINC000985619036 687323048 /nfs/dbraw/zinc/32/30/48/687323048.db2.gz NPYLZNSXBDTKPN-GOSISDBHSA-N 1 2 346.479 2.033 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([NH2+]Cc2nnc(CC)o2)[C@H]1C ZINC000986363957 688534375 /nfs/dbraw/zinc/53/43/75/688534375.db2.gz LFUGALOJRNWMIJ-ZIAGYGMSSA-N 1 2 343.431 2.012 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@H](C)O1 ZINC000024678569 692200838 /nfs/dbraw/zinc/20/08/38/692200838.db2.gz XNZGKRSJQMEOCT-GUTXKFCHSA-N 1 2 336.395 2.333 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@H](C)O1 ZINC000024678569 692200841 /nfs/dbraw/zinc/20/08/41/692200841.db2.gz XNZGKRSJQMEOCT-GUTXKFCHSA-N 1 2 336.395 2.333 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cn(CC)nn2)C1 ZINC001027519412 692591654 /nfs/dbraw/zinc/59/16/54/692591654.db2.gz MQRNIXAYBKZBPI-MRXNPFEDSA-N 1 2 333.480 2.323 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2cn(CC)nn2)C1 ZINC001027519412 692591658 /nfs/dbraw/zinc/59/16/58/692591658.db2.gz MQRNIXAYBKZBPI-MRXNPFEDSA-N 1 2 333.480 2.323 20 30 EEEDLO Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)c1C ZINC001027800582 694588568 /nfs/dbraw/zinc/58/85/68/694588568.db2.gz WKCKLBCPOOPNET-QGZVFWFLSA-N 1 2 337.427 2.293 20 30 EEEDLO Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)c1C ZINC001027800582 694588571 /nfs/dbraw/zinc/58/85/71/694588571.db2.gz WKCKLBCPOOPNET-QGZVFWFLSA-N 1 2 337.427 2.293 20 30 EEEDLO C[N@H+](CCNC(=O)Cc1c[nH]c2cnccc12)Cc1ccccc1C#N ZINC001266313811 1176216054 /nfs/dbraw/zinc/21/60/54/1176216054.db2.gz PILJWFVAFFHICZ-UHFFFAOYSA-N 1 2 347.422 2.225 20 30 EEEDLO C[N@@H+](CCNC(=O)Cc1c[nH]c2cnccc12)Cc1ccccc1C#N ZINC001266313811 1176216063 /nfs/dbraw/zinc/21/60/63/1176216063.db2.gz PILJWFVAFFHICZ-UHFFFAOYSA-N 1 2 347.422 2.225 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cscn3)C[C@H]2C)nc1 ZINC000944192627 1192941292 /nfs/dbraw/zinc/94/12/92/1192941292.db2.gz MNEWVDZVUFSXNT-CZUORRHYSA-N 1 2 340.452 2.160 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cscn3)C[C@H]2C)nc1 ZINC000944192627 1192941293 /nfs/dbraw/zinc/94/12/93/1192941293.db2.gz MNEWVDZVUFSXNT-CZUORRHYSA-N 1 2 340.452 2.160 20 30 EEEDLO C=CC[C@@H](C)C(=O)N1CC2(C[C@H]2C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001268907900 1183809401 /nfs/dbraw/zinc/80/94/01/1183809401.db2.gz WAUUBBPXXWCUSW-KGLIPLIRSA-N 1 2 338.411 2.334 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(Br)n[nH]2)[C@H]1C ZINC001088600482 1187580956 /nfs/dbraw/zinc/58/09/56/1187580956.db2.gz SJAQEVAJZLAUDL-BDAKNGLRSA-N 1 2 347.644 2.117 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)n[nH]2)[C@H]1C ZINC001088600482 1187580962 /nfs/dbraw/zinc/58/09/62/1187580962.db2.gz SJAQEVAJZLAUDL-BDAKNGLRSA-N 1 2 347.644 2.117 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)C2(F)CCOCC2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088610658 1187675014 /nfs/dbraw/zinc/67/50/14/1187675014.db2.gz DIDUAZHDARZFHK-PBHICJAKSA-N 1 2 345.418 2.156 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)C2(F)CCOCC2)CC[N@H+]1Cc1ccccc1C#N ZINC001088610658 1187675016 /nfs/dbraw/zinc/67/50/16/1187675016.db2.gz DIDUAZHDARZFHK-PBHICJAKSA-N 1 2 345.418 2.156 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c[nH]nc1C(F)(F)F ZINC001272803707 1193507078 /nfs/dbraw/zinc/50/70/78/1193507078.db2.gz YOQBJOGPNPAFGQ-HNNXBMFYSA-N 1 2 340.349 2.019 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c[nH]nc1C(F)(F)F ZINC001272803707 1193507079 /nfs/dbraw/zinc/50/70/79/1193507079.db2.gz YOQBJOGPNPAFGQ-HNNXBMFYSA-N 1 2 340.349 2.019 20 30 EEEDLO N#Cc1cccc(CN2CC[C@@]3(CCC[N@@H+]3Cc3cc[nH]n3)C2=O)c1 ZINC001272537494 1190870983 /nfs/dbraw/zinc/87/09/83/1190870983.db2.gz JJFSGSIKQVOMMT-IBGZPJMESA-N 1 2 335.411 2.048 20 30 EEEDLO N#Cc1cccc(CN2CC[C@@]3(CCC[N@H+]3Cc3cc[nH]n3)C2=O)c1 ZINC001272537494 1190870986 /nfs/dbraw/zinc/87/09/86/1190870986.db2.gz JJFSGSIKQVOMMT-IBGZPJMESA-N 1 2 335.411 2.048 20 30 EEEDLO C[C@H](C#N)C(=O)NCc1ccc(C[NH2+]Cc2cscn2)cc1F ZINC001486522673 1194045166 /nfs/dbraw/zinc/04/51/66/1194045166.db2.gz ISPCFEJHRPJISW-LLVKDONJSA-N 1 2 332.404 2.348 20 30 EEEDLO Cc1nnc(C[NH2+]Cc2ccc(CNC(=O)[C@H](C)C#N)c(F)c2)s1 ZINC001486523255 1194045834 /nfs/dbraw/zinc/04/58/34/1194045834.db2.gz RXBFSPNLMNWTGJ-SNVBAGLBSA-N 1 2 347.419 2.051 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3cccc(Cl)n3)C2)OCC1=O ZINC001272962011 1194270998 /nfs/dbraw/zinc/27/09/98/1194270998.db2.gz KJLBZCJUBVQYFR-QGZVFWFLSA-N 1 2 335.835 2.114 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3cccc(Cl)n3)C2)OCC1=O ZINC001272962011 1194271001 /nfs/dbraw/zinc/27/10/01/1194271001.db2.gz KJLBZCJUBVQYFR-QGZVFWFLSA-N 1 2 335.835 2.114 20 30 EEEDLO C=CCN1CC2(C[NH+](Cc3cccc4c3ccn4CC)C2)OCC1=O ZINC001273008891 1194315657 /nfs/dbraw/zinc/31/56/57/1194315657.db2.gz UMXDVZVYNBJYPP-UHFFFAOYSA-N 1 2 339.439 2.260 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001014720664 1224231212 /nfs/dbraw/zinc/23/12/12/1224231212.db2.gz GTWBFKYYLLQZAI-ZDUSSCGKSA-N 1 2 331.803 2.497 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001014720664 1224231218 /nfs/dbraw/zinc/23/12/18/1224231218.db2.gz GTWBFKYYLLQZAI-ZDUSSCGKSA-N 1 2 331.803 2.497 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccco2)C1 ZINC001033516857 1194672451 /nfs/dbraw/zinc/67/24/51/1194672451.db2.gz FNPNBCUKVVQYLP-GFCCVEGCSA-N 1 2 327.222 2.263 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccco2)C1 ZINC001033516857 1194672453 /nfs/dbraw/zinc/67/24/53/1194672453.db2.gz FNPNBCUKVVQYLP-GFCCVEGCSA-N 1 2 327.222 2.263 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001033690697 1195087370 /nfs/dbraw/zinc/08/73/70/1195087370.db2.gz GFZFRWJMHUYHNG-HNNXBMFYSA-N 1 2 325.416 2.194 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001033690697 1195087376 /nfs/dbraw/zinc/08/73/76/1195087376.db2.gz GFZFRWJMHUYHNG-HNNXBMFYSA-N 1 2 325.416 2.194 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001033713326 1195123062 /nfs/dbraw/zinc/12/30/62/1195123062.db2.gz QJKULYYHTCGZOZ-INIZCTEOSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001033713326 1195123067 /nfs/dbraw/zinc/12/30/67/1195123067.db2.gz QJKULYYHTCGZOZ-INIZCTEOSA-N 1 2 345.834 2.166 20 30 EEEDLO C#Cc1ccc(C(=O)N(CC)[C@@H]2CC[N@@H+]([C@H](C)c3ncccn3)C2)cn1 ZINC001034023483 1195677647 /nfs/dbraw/zinc/67/76/47/1195677647.db2.gz SAXKEIOAJZSKRO-CRAIPNDOSA-N 1 2 349.438 2.151 20 30 EEEDLO C#Cc1ccc(C(=O)N(CC)[C@@H]2CC[N@H+]([C@H](C)c3ncccn3)C2)cn1 ZINC001034023483 1195677653 /nfs/dbraw/zinc/67/76/53/1195677653.db2.gz SAXKEIOAJZSKRO-CRAIPNDOSA-N 1 2 349.438 2.151 20 30 EEEDLO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(P(C)(C)=O)cc2)C1 ZINC001034048416 1195701263 /nfs/dbraw/zinc/70/12/63/1195701263.db2.gz OCAJULIJTZDKEN-INIZCTEOSA-N 1 2 332.384 2.104 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(P(C)(C)=O)cc2)C1 ZINC001034048416 1195701270 /nfs/dbraw/zinc/70/12/70/1195701270.db2.gz OCAJULIJTZDKEN-INIZCTEOSA-N 1 2 332.384 2.104 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001034126187 1195780798 /nfs/dbraw/zinc/78/07/98/1195780798.db2.gz UYRLMHULEIMNRJ-KGLIPLIRSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001034126187 1195780802 /nfs/dbraw/zinc/78/08/02/1195780802.db2.gz UYRLMHULEIMNRJ-KGLIPLIRSA-N 1 2 345.281 2.292 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1NC(=O)CC ZINC001018079302 1224303990 /nfs/dbraw/zinc/30/39/90/1224303990.db2.gz KFKMFYPMRLCOHN-IYBDPMFKSA-N 1 2 339.439 2.347 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1NC(=O)CC ZINC001018079302 1224303995 /nfs/dbraw/zinc/30/39/95/1224303995.db2.gz KFKMFYPMRLCOHN-IYBDPMFKSA-N 1 2 339.439 2.347 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCCC[N@H+](Cc3cscn3)C2)c1 ZINC001034163282 1195879768 /nfs/dbraw/zinc/87/97/68/1195879768.db2.gz JNGZSVIYSQKHFG-ZDUSSCGKSA-N 1 2 329.429 2.127 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCCC[N@@H+](Cc3cscn3)C2)c1 ZINC001034163282 1195879773 /nfs/dbraw/zinc/87/97/73/1195879773.db2.gz JNGZSVIYSQKHFG-ZDUSSCGKSA-N 1 2 329.429 2.127 20 30 EEEDLO CCc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001034163960 1195880864 /nfs/dbraw/zinc/88/08/64/1195880864.db2.gz PNBJGSORPDVZQI-AWEZNQCLSA-N 1 2 341.415 2.221 20 30 EEEDLO CCc1cnc(C[N@H+]2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001034163960 1195880870 /nfs/dbraw/zinc/88/08/70/1195880870.db2.gz PNBJGSORPDVZQI-AWEZNQCLSA-N 1 2 341.415 2.221 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)C2CC(OC)C2)C1 ZINC001034260079 1196004081 /nfs/dbraw/zinc/00/40/81/1196004081.db2.gz CXEXJXIEEUJRDV-MOKVOYLWSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)C2CC(OC)C2)C1 ZINC001034260079 1196004085 /nfs/dbraw/zinc/00/40/85/1196004085.db2.gz CXEXJXIEEUJRDV-MOKVOYLWSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ncc(C)o2)C1 ZINC001034403434 1196196450 /nfs/dbraw/zinc/19/64/50/1196196450.db2.gz GGCLCVZZOPTMIX-OAGGEKHMSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ncc(C)o2)C1 ZINC001034403434 1196196452 /nfs/dbraw/zinc/19/64/52/1196196452.db2.gz GGCLCVZZOPTMIX-OAGGEKHMSA-N 1 2 333.432 2.045 20 30 EEEDLO C[C@H](C#N)C(=O)NCC1C[NH+](Cc2ccccc2Br)C1 ZINC001494539511 1197299021 /nfs/dbraw/zinc/29/90/21/1197299021.db2.gz ZKWHJESHAPSRSL-LLVKDONJSA-N 1 2 336.233 2.157 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)c(OC)c(OC)c2)C1=O ZINC001273206949 1197537163 /nfs/dbraw/zinc/53/71/63/1197537163.db2.gz UJMPZCORQUBOPV-IBGZPJMESA-N 1 2 346.402 2.043 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)c(OC)c(OC)c2)C1=O ZINC001273206949 1197537166 /nfs/dbraw/zinc/53/71/66/1197537166.db2.gz UJMPZCORQUBOPV-IBGZPJMESA-N 1 2 346.402 2.043 20 30 EEEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc3c(c2)OCC(=O)N3)s1 ZINC000794732184 1197903905 /nfs/dbraw/zinc/90/39/05/1197903905.db2.gz GHWQNNHAUMMTRP-AATRIKPKSA-N 1 2 343.408 2.432 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(CC)cc1 ZINC001018233392 1224504096 /nfs/dbraw/zinc/50/40/96/1224504096.db2.gz JUONHVQYUYJFMP-HDICACEKSA-N 1 2 326.440 2.326 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(CC)cc1 ZINC001018233392 1224504102 /nfs/dbraw/zinc/50/41/02/1224504102.db2.gz JUONHVQYUYJFMP-HDICACEKSA-N 1 2 326.440 2.326 20 30 EEEDLO N#Cc1ccccc1OCC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874893809 1199063170 /nfs/dbraw/zinc/06/31/70/1199063170.db2.gz MJKKISGULZLNQH-KRWDZBQOSA-N 1 2 339.370 2.249 20 30 EEEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000875328088 1199211547 /nfs/dbraw/zinc/21/15/47/1199211547.db2.gz IIHAUJBGEPHRAE-PBHICJAKSA-N 1 2 330.432 2.029 20 30 EEEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000875328088 1199211550 /nfs/dbraw/zinc/21/15/50/1199211550.db2.gz IIHAUJBGEPHRAE-PBHICJAKSA-N 1 2 330.432 2.029 20 30 EEEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ncc(Cl)s2)CC[C@@H]1C ZINC001132169197 1199383337 /nfs/dbraw/zinc/38/33/37/1199383337.db2.gz KPMMLGIOYMDNHO-RYUDHWBXSA-N 1 2 341.864 2.029 20 30 EEEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ncc(Cl)s2)CC[C@@H]1C ZINC001132169197 1199383341 /nfs/dbraw/zinc/38/33/41/1199383341.db2.gz KPMMLGIOYMDNHO-RYUDHWBXSA-N 1 2 341.864 2.029 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001132228998 1199470856 /nfs/dbraw/zinc/47/08/56/1199470856.db2.gz ZACVYGOAZYWPLY-ZIAGYGMSSA-N 1 2 348.443 2.330 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001132228998 1199470859 /nfs/dbraw/zinc/47/08/59/1199470859.db2.gz ZACVYGOAZYWPLY-ZIAGYGMSSA-N 1 2 348.443 2.330 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCC(=O)NCC)CC[C@H]1C ZINC001132432816 1199700120 /nfs/dbraw/zinc/70/01/20/1199700120.db2.gz HHPIZMSVQXVACK-KGLIPLIRSA-N 1 2 329.872 2.014 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCC(=O)NCC)CC[C@H]1C ZINC001132432816 1199700123 /nfs/dbraw/zinc/70/01/23/1199700123.db2.gz HHPIZMSVQXVACK-KGLIPLIRSA-N 1 2 329.872 2.014 20 30 EEEDLO C[C@@H](CC1(C#N)CCOCC1)[NH2+]c1ccc(N2CCNC(=O)C2)cc1 ZINC000876821436 1199786379 /nfs/dbraw/zinc/78/63/79/1199786379.db2.gz IIGOQSPXZPZOQX-HNNXBMFYSA-N 1 2 342.443 2.134 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ncc(F)cc2F)C1 ZINC001014951339 1224572657 /nfs/dbraw/zinc/57/26/57/1224572657.db2.gz OMKAGMWHPHRSQZ-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ncc(F)cc2F)C1 ZINC001014951339 1224572661 /nfs/dbraw/zinc/57/26/61/1224572661.db2.gz OMKAGMWHPHRSQZ-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO CCOCc1nnn2c1C[N@H+](Cc1ccc(OCC#N)cc1)CCC2 ZINC001137118314 1199899335 /nfs/dbraw/zinc/89/93/35/1199899335.db2.gz SVJFBEYCEZFJGT-UHFFFAOYSA-N 1 2 341.415 2.123 20 30 EEEDLO CCOCc1nnn2c1C[N@@H+](Cc1ccc(OCC#N)cc1)CCC2 ZINC001137118314 1199899338 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329.429 2.079 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)c4ncccn4)C[C@H]32)CC1 ZINC000961686216 1217275038 /nfs/dbraw/zinc/27/50/38/1217275038.db2.gz HYOQXYJCVVOGLS-SIXLDLHFSA-N 1 2 326.444 2.330 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)c4ncccn4)C[C@H]32)CC1 ZINC000961686216 1217275041 /nfs/dbraw/zinc/27/50/41/1217275041.db2.gz HYOQXYJCVVOGLS-SIXLDLHFSA-N 1 2 326.444 2.330 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)C(F)F ZINC000964595072 1218475364 /nfs/dbraw/zinc/47/53/64/1218475364.db2.gz BNXGRQMJAFISTH-YGRLFVJLSA-N 1 2 325.334 2.289 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)C(F)F ZINC000964595072 1218475367 /nfs/dbraw/zinc/47/53/67/1218475367.db2.gz BNXGRQMJAFISTH-YGRLFVJLSA-N 1 2 325.334 2.289 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)c1cnccn1 ZINC000964776474 1218613552 /nfs/dbraw/zinc/61/35/52/1218613552.db2.gz UOZDCQHPWBIJLP-LRDDRELGSA-N 1 2 341.440 2.050 20 30 EEEDLO 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349.438 2.297 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2c(Cl)cnn2C)C1 ZINC000966163932 1219562145 /nfs/dbraw/zinc/56/21/45/1219562145.db2.gz BSCKRYGYVXNUKG-BXKDBHETSA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2c(Cl)cnn2C)C1 ZINC000966163932 1219562147 /nfs/dbraw/zinc/56/21/47/1219562147.db2.gz BSCKRYGYVXNUKG-BXKDBHETSA-N 1 2 331.247 2.266 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966670111 1219934830 /nfs/dbraw/zinc/93/48/30/1219934830.db2.gz VHMYNPZEMOTTIG-BLLLJJGKSA-N 1 2 340.427 2.352 20 30 EEEDLO CC[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1NCC#N ZINC001037903090 1220202668 /nfs/dbraw/zinc/20/26/68/1220202668.db2.gz WMGURSKFTBOKGB-YJBOKZPZSA-N 1 2 337.427 2.226 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(F)ccc3F)C2)nc1 ZINC001016022910 1225966239 /nfs/dbraw/zinc/96/62/39/1225966239.db2.gz GVTYEZHQBDZAMF-MRXNPFEDSA-N 1 2 341.361 2.345 20 30 EEEDLO 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2.133 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)CCC)C1 ZINC001009612849 1223301746 /nfs/dbraw/zinc/30/17/46/1223301746.db2.gz UMJAZGHKINYJJM-LSDHHAIUSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)CCC)C1 ZINC001009612849 1223301749 /nfs/dbraw/zinc/30/17/49/1223301749.db2.gz UMJAZGHKINYJJM-LSDHHAIUSA-N 1 2 341.883 2.111 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccccc3O)C2)c(F)c1 ZINC001010272001 1223636869 /nfs/dbraw/zinc/63/68/69/1223636869.db2.gz PYGRVPSFNNITPI-OAHLLOKOSA-N 1 2 339.370 2.407 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccccc3O)C2)c(F)c1 ZINC001010272001 1223636872 /nfs/dbraw/zinc/63/68/72/1223636872.db2.gz PYGRVPSFNNITPI-OAHLLOKOSA-N 1 2 339.370 2.407 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)c1ccon1 ZINC001010330332 1223665271 /nfs/dbraw/zinc/66/52/71/1223665271.db2.gz HPYPJRNGGGDJPU-OAHLLOKOSA-N 1 2 329.787 2.184 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)c1ccon1 ZINC001010330332 1223665273 /nfs/dbraw/zinc/66/52/73/1223665273.db2.gz HPYPJRNGGGDJPU-OAHLLOKOSA-N 1 2 329.787 2.184 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccnc(F)c3)C2)s1 ZINC001010356603 1223678273 /nfs/dbraw/zinc/67/82/73/1223678273.db2.gz FNCFJLCNPJJWGE-LBPRGKRZSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccnc(F)c3)C2)s1 ZINC001010356603 1223678277 /nfs/dbraw/zinc/67/82/77/1223678277.db2.gz FNCFJLCNPJJWGE-LBPRGKRZSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(F)nc3)C2)c(F)c1 ZINC001010383842 1223692709 /nfs/dbraw/zinc/69/27/09/1223692709.db2.gz HRZALHJGBPFYEF-OAHLLOKOSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(F)nc3)C2)c(F)c1 ZINC001010383842 1223692710 /nfs/dbraw/zinc/69/27/10/1223692710.db2.gz HRZALHJGBPFYEF-OAHLLOKOSA-N 1 2 342.349 2.236 20 30 EEEDLO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1)n1cccc1 ZINC001010564506 1223785237 /nfs/dbraw/zinc/78/52/37/1223785237.db2.gz DQCCIRBLKBUANL-WMLDXEAASA-N 1 2 340.402 2.451 20 30 EEEDLO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1)n1cccc1 ZINC001010564506 1223785243 /nfs/dbraw/zinc/78/52/43/1223785243.db2.gz DQCCIRBLKBUANL-WMLDXEAASA-N 1 2 340.402 2.451 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)ns1 ZINC001010772717 1223900493 /nfs/dbraw/zinc/90/04/93/1223900493.db2.gz JJRWUNUREKPTEI-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)ns1 ZINC001010772717 1223900496 /nfs/dbraw/zinc/90/04/96/1223900496.db2.gz JJRWUNUREKPTEI-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001014463891 1226647895 /nfs/dbraw/zinc/64/78/95/1226647895.db2.gz UIKVIIQBNFKUMJ-XHSDSOJGSA-N 1 2 335.835 2.102 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001014463891 1226647897 /nfs/dbraw/zinc/64/78/97/1226647897.db2.gz UIKVIIQBNFKUMJ-XHSDSOJGSA-N 1 2 335.835 2.102 20 30 EEEDLO N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](Cc2cccc(C#N)c2)C3)[nH]1 ZINC001017488554 1227461695 /nfs/dbraw/zinc/46/16/95/1227461695.db2.gz VPPJDSSMDDWILC-HDICACEKSA-N 1 2 345.406 2.247 20 30 EEEDLO N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](Cc2cccc(C#N)c2)C3)[nH]1 ZINC001017488554 1227461701 /nfs/dbraw/zinc/46/17/01/1227461701.db2.gz VPPJDSSMDDWILC-HDICACEKSA-N 1 2 345.406 2.247 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cccn2)cc1 ZINC001017620141 1227577622 /nfs/dbraw/zinc/57/76/22/1227577622.db2.gz DJNJQUQYLAGCAD-KDURUIRLSA-N 1 2 334.423 2.184 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cccn2)cc1 ZINC001017620141 1227577632 /nfs/dbraw/zinc/57/76/32/1227577632.db2.gz DJNJQUQYLAGCAD-KDURUIRLSA-N 1 2 334.423 2.184 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COc2ccc(Cl)cc21 ZINC001017734346 1227687809 /nfs/dbraw/zinc/68/78/09/1227687809.db2.gz PMGQVJWFTWFNSL-LZWOXQAQSA-N 1 2 330.815 2.124 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COc2ccc(Cl)cc21 ZINC001017734346 1227687816 /nfs/dbraw/zinc/68/78/16/1227687816.db2.gz PMGQVJWFTWFNSL-LZWOXQAQSA-N 1 2 330.815 2.124 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001018979379 1228602058 /nfs/dbraw/zinc/60/20/58/1228602058.db2.gz RKUKBZXZGXUISE-SFHVURJKSA-N 1 2 344.459 2.006 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(F)cc1 ZINC001038261447 1229708985 /nfs/dbraw/zinc/70/89/85/1229708985.db2.gz ZQAQNJCUPWRUKF-KSZLIROESA-N 1 2 332.419 2.497 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(F)cc1 ZINC001038261447 1229708989 /nfs/dbraw/zinc/70/89/89/1229708989.db2.gz ZQAQNJCUPWRUKF-KSZLIROESA-N 1 2 332.419 2.497 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(F)c1 ZINC001038267437 1229713629 /nfs/dbraw/zinc/71/36/29/1229713629.db2.gz UQVGESNFPXIITK-KURKYZTESA-N 1 2 332.419 2.497 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(F)c1 ZINC001038267437 1229713632 /nfs/dbraw/zinc/71/36/32/1229713632.db2.gz UQVGESNFPXIITK-KURKYZTESA-N 1 2 332.419 2.497 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038529010 1229898813 /nfs/dbraw/zinc/89/88/13/1229898813.db2.gz RMQDJYUKXNPMMA-NUJGCVRESA-N 1 2 345.418 2.203 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001038529010 1229898819 /nfs/dbraw/zinc/89/88/19/1229898819.db2.gz RMQDJYUKXNPMMA-NUJGCVRESA-N 1 2 345.418 2.203 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cnc(C3CC3)nc2)c1 ZINC001038773195 1230041649 /nfs/dbraw/zinc/04/16/49/1230041649.db2.gz IJVKFCQCUGTMNY-GOSISDBHSA-N 1 2 347.422 2.230 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cnc(C3CC3)nc2)c1 ZINC001038773195 1230041655 /nfs/dbraw/zinc/04/16/55/1230041655.db2.gz IJVKFCQCUGTMNY-GOSISDBHSA-N 1 2 347.422 2.230 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1c(C)noc1CC ZINC001038796130 1230063076 /nfs/dbraw/zinc/06/30/76/1230063076.db2.gz DESNMWCOELHELH-VKJFTORMSA-N 1 2 347.459 2.217 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1c(C)noc1CC ZINC001038796130 1230063079 /nfs/dbraw/zinc/06/30/79/1230063079.db2.gz DESNMWCOELHELH-VKJFTORMSA-N 1 2 347.459 2.217 20 30 EEEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)c2ccccc2o1 ZINC001039465767 1230631252 /nfs/dbraw/zinc/63/12/52/1230631252.db2.gz ZBQVVGDBZLKHFK-CABCVRRESA-N 1 2 336.391 2.105 20 30 EEEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)c2ccccc2o1 ZINC001039465767 1230631254 /nfs/dbraw/zinc/63/12/54/1230631254.db2.gz ZBQVVGDBZLKHFK-CABCVRRESA-N 1 2 336.391 2.105 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccnc2)c1 ZINC001039540317 1230684515 /nfs/dbraw/zinc/68/45/15/1230684515.db2.gz XGMOXPTYRFWLND-CALCHBBNSA-N 1 2 335.411 2.160 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccnc2)c1 ZINC001039540317 1230684516 /nfs/dbraw/zinc/68/45/16/1230684516.db2.gz XGMOXPTYRFWLND-CALCHBBNSA-N 1 2 335.411 2.160 20 30 EEEDLO N#CCN1CCC[C@]2(CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)C1 ZINC001040469761 1231248932 /nfs/dbraw/zinc/24/89/32/1231248932.db2.gz CZJOCHIRVXMJBY-FQEVSTJZSA-N 1 2 349.438 2.324 20 30 EEEDLO CCc1cnc(C[N@@H+]2CC[C@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)o1 ZINC001042057826 1231859724 /nfs/dbraw/zinc/85/97/24/1231859724.db2.gz NBXPALWOKYULQH-RDJZCZTQSA-N 1 2 327.428 2.073 20 30 EEEDLO CCc1cnc(C[N@H+]2CC[C@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)o1 ZINC001042057826 1231859726 /nfs/dbraw/zinc/85/97/26/1231859726.db2.gz NBXPALWOKYULQH-RDJZCZTQSA-N 1 2 327.428 2.073 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnn(CC)n3)[C@H]2C1 ZINC001042185503 1231943991 /nfs/dbraw/zinc/94/39/91/1231943991.db2.gz TXHAGDHKTKXEED-WBVHZDCISA-N 1 2 345.491 2.323 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cnn(CC)n3)[C@H]2C1 ZINC001042185503 1231943993 /nfs/dbraw/zinc/94/39/93/1231943993.db2.gz TXHAGDHKTKXEED-WBVHZDCISA-N 1 2 345.491 2.323 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3conc3COC)C[C@H]21 ZINC001042310739 1232021206 /nfs/dbraw/zinc/02/12/06/1232021206.db2.gz XCVJZKJKBKLUSN-IUODEOHRSA-N 1 2 339.823 2.110 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3conc3COC)C[C@H]21 ZINC001042310739 1232021207 /nfs/dbraw/zinc/02/12/07/1232021207.db2.gz XCVJZKJKBKLUSN-IUODEOHRSA-N 1 2 339.823 2.110 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](Cc3cccc(N(C)C)c3)C2)c1 ZINC001043822113 1232592711 /nfs/dbraw/zinc/59/27/11/1232592711.db2.gz RTALWOHSXZIZPK-UHFFFAOYSA-N 1 2 348.450 2.085 20 30 EEEDLO C#CCOc1ccc(C(=O)N(C)C2C[NH+](C[C@H]3CCCCO3)C2)cc1 ZINC001044020364 1232673712 /nfs/dbraw/zinc/67/37/12/1232673712.db2.gz RQINHWHKRYRBHH-LJQANCHMSA-N 1 2 342.439 2.024 20 30 EEEDLO C=CCn1cc(C(=O)N(C)C2C[NH+](Cc3ccc(C)cc3C)C2)nn1 ZINC001044022484 1232675946 /nfs/dbraw/zinc/67/59/46/1232675946.db2.gz NKENJYYSKJFGHW-UHFFFAOYSA-N 1 2 339.443 2.037 20 30 EEEDLO C=CCn1cc(C(=O)N(C)C2C[NH+](Cc3cc(C)sc3C)C2)nn1 ZINC001044022705 1232676966 /nfs/dbraw/zinc/67/69/66/1232676966.db2.gz RMGMBMHICRLMIZ-UHFFFAOYSA-N 1 2 345.472 2.099 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NCCCN(c1nc(C)[nH+]c(C)c1C)C1CC1 ZINC001096027797 1233755761 /nfs/dbraw/zinc/75/57/61/1233755761.db2.gz SLUZSWSCYGBODK-IBGZPJMESA-N 1 2 346.475 2.204 20 30 EEEDLO CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)CC1 ZINC001045506399 1233784290 /nfs/dbraw/zinc/78/42/90/1233784290.db2.gz MKQZYVGTFASJAO-WMLDXEAASA-N 1 2 328.460 2.070 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ncc(C)s1 ZINC001096035667 1233835505 /nfs/dbraw/zinc/83/55/05/1233835505.db2.gz LNENGBJJCDRYMQ-OWYFMNJBSA-N 1 2 347.484 2.264 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ncc(C)s1 ZINC001096035667 1233835508 /nfs/dbraw/zinc/83/55/08/1233835508.db2.gz LNENGBJJCDRYMQ-OWYFMNJBSA-N 1 2 347.484 2.264 20 30 EEEDLO C[C@]1(NC(=O)C2CCOCC2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046099123 1234435964 /nfs/dbraw/zinc/43/59/64/1234435964.db2.gz GQKRLQIRUMLUGK-IBGZPJMESA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@]1(NC(=O)C2CCOCC2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046099123 1234435966 /nfs/dbraw/zinc/43/59/66/1234435966.db2.gz GQKRLQIRUMLUGK-IBGZPJMESA-N 1 2 345.418 2.205 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@]1(C)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046175051 1234516080 /nfs/dbraw/zinc/51/60/80/1234516080.db2.gz BAKXBURCVSCHQY-IBGZPJMESA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@]1(C)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046175051 1234516081 /nfs/dbraw/zinc/51/60/81/1234516081.db2.gz BAKXBURCVSCHQY-IBGZPJMESA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)s1 ZINC001046248724 1234593567 /nfs/dbraw/zinc/59/35/67/1234593567.db2.gz RGGIKYTWDXZVIU-INIZCTEOSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)s1 ZINC001046248724 1234593569 /nfs/dbraw/zinc/59/35/69/1234593569.db2.gz RGGIKYTWDXZVIU-INIZCTEOSA-N 1 2 329.429 2.046 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)C2CC(OCC)C2)C1 ZINC001046283854 1234629790 /nfs/dbraw/zinc/62/97/90/1234629790.db2.gz NDVCFNUGTTZNBO-SSDMNJCBSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)C2CC(OCC)C2)C1 ZINC001046283854 1234629792 /nfs/dbraw/zinc/62/97/92/1234629792.db2.gz NDVCFNUGTTZNBO-SSDMNJCBSA-N 1 2 345.281 2.291 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@@H+]([C@@H](C)c2nc(C)no2)C1 ZINC001046377166 1234727862 /nfs/dbraw/zinc/72/78/62/1234727862.db2.gz GIBSPKDNZGJKNN-UGSOOPFHSA-N 1 2 343.431 2.321 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@H+]([C@@H](C)c2nc(C)no2)C1 ZINC001046377166 1234727867 /nfs/dbraw/zinc/72/78/67/1234727867.db2.gz GIBSPKDNZGJKNN-UGSOOPFHSA-N 1 2 343.431 2.321 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001046418632 1234780934 /nfs/dbraw/zinc/78/09/34/1234780934.db2.gz QNEGRBPIPLGIJA-GOSISDBHSA-N 1 2 349.862 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001046418632 1234780939 /nfs/dbraw/zinc/78/09/39/1234780939.db2.gz QNEGRBPIPLGIJA-GOSISDBHSA-N 1 2 349.862 2.462 20 30 EEEDLO C[C@]1(NC(=O)c2cnco2)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046522396 1234901582 /nfs/dbraw/zinc/90/15/82/1234901582.db2.gz IQKFAHCDFXFIAR-KRWDZBQOSA-N 1 2 328.347 2.080 20 30 EEEDLO C[C@]1(NC(=O)c2cnco2)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046522396 1234901585 /nfs/dbraw/zinc/90/15/85/1234901585.db2.gz IQKFAHCDFXFIAR-KRWDZBQOSA-N 1 2 328.347 2.080 20 30 EEEDLO C=CCO[C@H](C)C(=O)N(C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001096112696 1234975089 /nfs/dbraw/zinc/97/50/89/1234975089.db2.gz FURBKXURSBWQOV-OAHLLOKOSA-N 1 2 346.475 2.420 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3nc(C)c(C)o3)C2)c1 ZINC001046608560 1234991796 /nfs/dbraw/zinc/99/17/96/1234991796.db2.gz XPLHFOMCTZKMQD-IBGZPJMESA-N 1 2 338.411 2.062 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@H+](Cc3nc(C)c(C)o3)C2)c1 ZINC001046608560 1234991799 /nfs/dbraw/zinc/99/17/99/1234991799.db2.gz XPLHFOMCTZKMQD-IBGZPJMESA-N 1 2 338.411 2.062 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC(=C)Br)C1 ZINC001046631573 1235014171 /nfs/dbraw/zinc/01/41/71/1235014171.db2.gz GZXCZAFLNAOBSZ-IPYPFGDCSA-N 1 2 343.265 2.067 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC(=C)Br)C1 ZINC001046631573 1235014173 /nfs/dbraw/zinc/01/41/73/1235014173.db2.gz GZXCZAFLNAOBSZ-IPYPFGDCSA-N 1 2 343.265 2.067 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001046915633 1235303067 /nfs/dbraw/zinc/30/30/67/1235303067.db2.gz ASWYDJQKRYXNEW-LLVKDONJSA-N 1 2 346.809 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001046915633 1235303071 /nfs/dbraw/zinc/30/30/71/1235303071.db2.gz ASWYDJQKRYXNEW-LLVKDONJSA-N 1 2 346.809 2.412 20 30 EEEDLO Cc1cc(N2CCC[C@@H](NC(=O)C#CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001096179574 1235862718 /nfs/dbraw/zinc/86/27/18/1235862718.db2.gz YCWXTNACPOQEAJ-MRXNPFEDSA-N 1 2 326.444 2.407 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001054971891 1249494049 /nfs/dbraw/zinc/49/40/49/1249494049.db2.gz VTWTYIODCGAPLV-OCCSQVGLSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001096216941 1236199739 /nfs/dbraw/zinc/19/97/39/1236199739.db2.gz NJPOFSIOKQKWFB-QAPCUYQASA-N 1 2 332.448 2.099 20 30 EEEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c(s2)CC[C@@H](C)C3)C1 ZINC001047624354 1236303869 /nfs/dbraw/zinc/30/38/69/1236303869.db2.gz MEGXCHGUDHLTQT-KBMXLJTQSA-N 1 2 346.496 2.013 20 30 EEEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c(s2)CC[C@@H](C)C3)C1 ZINC001047624354 1236303871 /nfs/dbraw/zinc/30/38/71/1236303871.db2.gz MEGXCHGUDHLTQT-KBMXLJTQSA-N 1 2 346.496 2.013 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056516529 1239425697 /nfs/dbraw/zinc/42/56/97/1239425697.db2.gz UMCDKUZMGYDODP-HRCADAONSA-N 1 2 344.459 2.146 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)CCn1cc[nH+]c1 ZINC001056536951 1239434125 /nfs/dbraw/zinc/43/41/25/1239434125.db2.gz DELFGNDBSYTEIF-IAGOWNOFSA-N 1 2 344.459 2.221 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001056673693 1239619205 /nfs/dbraw/zinc/61/92/05/1239619205.db2.gz AOMNYLKRCAMCQS-GOEBONIOSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CSC ZINC001049316638 1240527090 /nfs/dbraw/zinc/52/70/90/1240527090.db2.gz XNCXUVALEPQAPZ-NEPJUHHUSA-N 1 2 333.295 2.323 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CSC ZINC001049316638 1240527100 /nfs/dbraw/zinc/52/71/00/1240527100.db2.gz XNCXUVALEPQAPZ-NEPJUHHUSA-N 1 2 333.295 2.323 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C#N ZINC001049380654 1240738777 /nfs/dbraw/zinc/73/87/77/1240738777.db2.gz GLGLFDBEYAUQRH-RAIGVLPGSA-N 1 2 326.238 2.120 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C#N ZINC001049380654 1240738781 /nfs/dbraw/zinc/73/87/81/1240738781.db2.gz GLGLFDBEYAUQRH-RAIGVLPGSA-N 1 2 326.238 2.120 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2c(F)cncc2F)CC1 ZINC001000730936 1240812687 /nfs/dbraw/zinc/81/26/87/1240812687.db2.gz SCECDJBBOORISC-UHFFFAOYSA-N 1 2 327.762 2.474 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2c(F)cncc2F)CC1 ZINC001000730936 1240812700 /nfs/dbraw/zinc/81/27/00/1240812700.db2.gz SCECDJBBOORISC-UHFFFAOYSA-N 1 2 327.762 2.474 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cncc(COC)c2)CC1 ZINC001000786941 1240937460 /nfs/dbraw/zinc/93/74/60/1240937460.db2.gz DNPODWPBZVZZHX-UHFFFAOYSA-N 1 2 335.835 2.342 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cncc(COC)c2)CC1 ZINC001000786941 1240937466 /nfs/dbraw/zinc/93/74/66/1240937466.db2.gz DNPODWPBZVZZHX-UHFFFAOYSA-N 1 2 335.835 2.342 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C#CC1CC1 ZINC001049470885 1241045271 /nfs/dbraw/zinc/04/52/71/1241045271.db2.gz ISDXYSBRRMEKLQ-LSDHHAIUSA-N 1 2 337.261 2.374 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C#CC1CC1 ZINC001049470885 1241045276 /nfs/dbraw/zinc/04/52/76/1241045276.db2.gz ISDXYSBRRMEKLQ-LSDHHAIUSA-N 1 2 337.261 2.374 20 30 EEEDLO C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049511169 1241174349 /nfs/dbraw/zinc/17/43/49/1241174349.db2.gz LMBUWHWURGYJCK-HZPDHXFCSA-N 1 2 331.485 2.122 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ncnn1CC ZINC001049691883 1241889436 /nfs/dbraw/zinc/88/94/36/1241889436.db2.gz CFXOUUAPNGEQOR-JTDSTZFVSA-N 1 2 345.491 2.466 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ncnn1CC ZINC001049691883 1241889446 /nfs/dbraw/zinc/88/94/46/1241889446.db2.gz CFXOUUAPNGEQOR-JTDSTZFVSA-N 1 2 345.491 2.466 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3Cc2nncn2C)CC1 ZINC001049692231 1241891161 /nfs/dbraw/zinc/89/11/61/1241891161.db2.gz DUDFTLZFLGTVAD-SJORKVTESA-N 1 2 343.475 2.127 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2nncn2C)CC1 ZINC001049692231 1241891175 /nfs/dbraw/zinc/89/11/75/1241891175.db2.gz DUDFTLZFLGTVAD-SJORKVTESA-N 1 2 343.475 2.127 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cn(CC)nn1 ZINC001049699859 1241916187 /nfs/dbraw/zinc/91/61/87/1241916187.db2.gz NPPDJBWEUKWPHI-ZIFCJYIRSA-N 1 2 345.491 2.466 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cn(CC)nn1 ZINC001049699859 1241916191 /nfs/dbraw/zinc/91/61/91/1241916191.db2.gz NPPDJBWEUKWPHI-ZIFCJYIRSA-N 1 2 345.491 2.466 20 30 EEEDLO C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1n[nH]c(C)c1C(F)(F)F ZINC001049716200 1241972670 /nfs/dbraw/zinc/97/26/70/1241972670.db2.gz BWEYVKMEAIGNGU-NEPJUHHUSA-N 1 2 340.349 2.049 20 30 EEEDLO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1n[nH]c(C)c1C(F)(F)F ZINC001049716200 1241972680 /nfs/dbraw/zinc/97/26/80/1241972680.db2.gz BWEYVKMEAIGNGU-NEPJUHHUSA-N 1 2 340.349 2.049 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccon1 ZINC001049868016 1242468972 /nfs/dbraw/zinc/46/89/72/1242468972.db2.gz QWCKHLGTJMJLMD-WOJBJXKFSA-N 1 2 349.434 2.464 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccon1 ZINC001049868016 1242468976 /nfs/dbraw/zinc/46/89/76/1242468976.db2.gz QWCKHLGTJMJLMD-WOJBJXKFSA-N 1 2 349.434 2.464 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001073927910 1242778852 /nfs/dbraw/zinc/77/88/52/1242778852.db2.gz VGOPAYNHFJGWDM-GJZGRUSLSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001073987826 1242871382 /nfs/dbraw/zinc/87/13/82/1242871382.db2.gz DXUGXGHFANWHSK-CVEARBPZSA-N 1 2 346.475 2.229 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001096678042 1243085352 /nfs/dbraw/zinc/08/53/52/1243085352.db2.gz YGSJGTJHMQXYMH-IKGGRYGDSA-N 1 2 335.411 2.125 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001096678042 1243085356 /nfs/dbraw/zinc/08/53/56/1243085356.db2.gz YGSJGTJHMQXYMH-IKGGRYGDSA-N 1 2 335.411 2.125 20 30 EEEDLO Cc1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)cn1 ZINC001096757611 1243183831 /nfs/dbraw/zinc/18/38/31/1243183831.db2.gz JWFWXGILVIZWJG-GGPKGHCWSA-N 1 2 346.434 2.172 20 30 EEEDLO Cc1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)cn1 ZINC001096757611 1243183836 /nfs/dbraw/zinc/18/38/36/1243183836.db2.gz JWFWXGILVIZWJG-GGPKGHCWSA-N 1 2 346.434 2.172 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001096974059 1243510034 /nfs/dbraw/zinc/51/00/34/1243510034.db2.gz BTVOXXSHXALSIL-CABCVRRESA-N 1 2 343.475 2.080 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001096974059 1243510040 /nfs/dbraw/zinc/51/00/40/1243510040.db2.gz BTVOXXSHXALSIL-CABCVRRESA-N 1 2 343.475 2.080 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097014653 1243577515 /nfs/dbraw/zinc/57/75/15/1243577515.db2.gz WXCQPBXJCJWFOV-DEYYWGMASA-N 1 2 330.432 2.049 20 30 EEEDLO Cc1nsc(N[C@H]2C[C@H](NC(=O)CCCn3cc[nH+]c3)C2)c1C#N ZINC001097041212 1243611052 /nfs/dbraw/zinc/61/10/52/1243611052.db2.gz LVIKIJOJBGKVKF-JOCQHMNTSA-N 1 2 344.444 2.059 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3c[nH]nc31)C2 ZINC001097079921 1243677315 /nfs/dbraw/zinc/67/73/15/1243677315.db2.gz QCCOPECBNFUSAB-TUVASFSCSA-N 1 2 334.851 2.304 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3c[nH]nc31)C2 ZINC001097079921 1243677327 /nfs/dbraw/zinc/67/73/27/1243677327.db2.gz QCCOPECBNFUSAB-TUVASFSCSA-N 1 2 334.851 2.304 20 30 EEEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sc3nccn3c1C)C2 ZINC001097236223 1243863975 /nfs/dbraw/zinc/86/39/75/1243863975.db2.gz IBPQAIYLYGCFGW-MCIONIFRSA-N 1 2 328.441 2.063 20 30 EEEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sc3nccn3c1C)C2 ZINC001097236223 1243863982 /nfs/dbraw/zinc/86/39/82/1243863982.db2.gz IBPQAIYLYGCFGW-MCIONIFRSA-N 1 2 328.441 2.063 20 30 EEEDLO Cc1nc(N2CCC[C@@H](CNC(=O)C#CC3CC3)C2)c(C)c(C)[nH+]1 ZINC001097303880 1243940333 /nfs/dbraw/zinc/94/03/33/1243940333.db2.gz ZIFKSTLYIICQRB-KRWDZBQOSA-N 1 2 326.444 2.148 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCn3nccc31)C2 ZINC001097365274 1244082357 /nfs/dbraw/zinc/08/23/57/1244082357.db2.gz OPQDJRCJMUQVFT-KQTLUZQSSA-N 1 2 334.851 2.235 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCn3nccc31)C2 ZINC001097365274 1244082367 /nfs/dbraw/zinc/08/23/67/1244082367.db2.gz OPQDJRCJMUQVFT-KQTLUZQSSA-N 1 2 334.851 2.235 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3ccccn13)C2 ZINC001097383474 1244116998 /nfs/dbraw/zinc/11/69/98/1244116998.db2.gz CFLAMZARKDEDJK-MCIONIFRSA-N 1 2 330.819 2.422 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3ccccn13)C2 ZINC001097383474 1244117006 /nfs/dbraw/zinc/11/70/06/1244117006.db2.gz CFLAMZARKDEDJK-MCIONIFRSA-N 1 2 330.819 2.422 20 30 EEEDLO Cc1nc(N[C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)c2c([nH+]1)CCCC2 ZINC001097777670 1244576085 /nfs/dbraw/zinc/57/60/85/1244576085.db2.gz KYNXQXRLXJWASD-NSHDSACASA-N 1 2 338.415 2.094 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1-c1cn[nH]c1 ZINC001050945914 1244688653 /nfs/dbraw/zinc/68/86/53/1244688653.db2.gz ZXRXQADQZPIXQS-INIZCTEOSA-N 1 2 340.427 2.083 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1-c1cn[nH]c1 ZINC001050945914 1244688663 /nfs/dbraw/zinc/68/86/63/1244688663.db2.gz ZXRXQADQZPIXQS-INIZCTEOSA-N 1 2 340.427 2.083 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001050999038 1244819638 /nfs/dbraw/zinc/81/96/38/1244819638.db2.gz XCNKBWAHNSYIKB-AWEZNQCLSA-N 1 2 334.464 2.104 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001050999038 1244819653 /nfs/dbraw/zinc/81/96/53/1244819653.db2.gz XCNKBWAHNSYIKB-AWEZNQCLSA-N 1 2 334.464 2.104 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Cl)cc1F ZINC001051015326 1244853438 /nfs/dbraw/zinc/85/34/38/1244853438.db2.gz HLKATHDSJJAHOQ-ZDUSSCGKSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Cl)cc1F ZINC001051015326 1244853447 /nfs/dbraw/zinc/85/34/47/1244853447.db2.gz HLKATHDSJJAHOQ-ZDUSSCGKSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@H](C)C#N)c2)C1 ZINC001101090642 1245387677 /nfs/dbraw/zinc/38/76/77/1245387677.db2.gz NUBDWPYAXIODCD-MLGOLLRUSA-N 1 2 348.834 2.063 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@H](C)C#N)c2)C1 ZINC001101090642 1245387681 /nfs/dbraw/zinc/38/76/81/1245387681.db2.gz NUBDWPYAXIODCD-MLGOLLRUSA-N 1 2 348.834 2.063 20 30 EEEDLO CCCN(CCNC(=O)CSCC#N)c1cc(C)[nH+]c(C(C)C)n1 ZINC001101097943 1245402914 /nfs/dbraw/zinc/40/29/14/1245402914.db2.gz HCIQUJAASGLEMA-UHFFFAOYSA-N 1 2 349.504 2.498 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)ccc1OC ZINC001051235620 1245425029 /nfs/dbraw/zinc/42/50/29/1245425029.db2.gz RGNULRPHVQTCGS-AWEZNQCLSA-N 1 2 338.835 2.355 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cl)ccc1OC ZINC001051235620 1245425032 /nfs/dbraw/zinc/42/50/32/1245425032.db2.gz RGNULRPHVQTCGS-AWEZNQCLSA-N 1 2 338.835 2.355 20 30 EEEDLO CCCN(CCNC(=O)CCc1[nH]cc[nH+]1)c1cccc(F)c1C#N ZINC001101128613 1245431782 /nfs/dbraw/zinc/43/17/82/1245431782.db2.gz NOLJIYCPENHNEY-UHFFFAOYSA-N 1 2 343.406 2.386 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001051248856 1245437876 /nfs/dbraw/zinc/43/78/76/1245437876.db2.gz GAAYYGGUFFWXRS-LSDHHAIUSA-N 1 2 346.475 2.397 20 30 EEEDLO C#CCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(CC)o3)C[C@@]2(C)C1 ZINC001101203024 1245517594 /nfs/dbraw/zinc/51/75/94/1245517594.db2.gz CMRRNJKDNPBKNQ-BEFAXECRSA-N 1 2 344.459 2.106 20 30 EEEDLO C#CCCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(CC)o3)C[C@@]2(C)C1 ZINC001101203024 1245517598 /nfs/dbraw/zinc/51/75/98/1245517598.db2.gz CMRRNJKDNPBKNQ-BEFAXECRSA-N 1 2 344.459 2.106 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001052953086 1245543910 /nfs/dbraw/zinc/54/39/10/1245543910.db2.gz XHBGUXXDYICJQZ-LSDHHAIUSA-N 1 2 340.427 2.125 20 30 EEEDLO Cc1cc(N(CCNC(=O)CSCC#N)C2CC2)nc(C2CC2)[nH+]1 ZINC001101283354 1245609302 /nfs/dbraw/zinc/60/93/02/1245609302.db2.gz DOIICUZJAKTNLM-UHFFFAOYSA-N 1 2 345.472 2.004 20 30 EEEDLO C#Cc1cncc(C(=O)NCCN(c2nc(C)[nH+]c(C)c2C)C2CC2)c1 ZINC001101439618 1245826929 /nfs/dbraw/zinc/82/69/29/1245826929.db2.gz ZWWMIOPLTLMFIC-UHFFFAOYSA-N 1 2 349.438 2.177 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@H]1[C@H]1CCC[N@H+](Cc2cnon2)C1 ZINC001053086774 1245861841 /nfs/dbraw/zinc/86/18/41/1245861841.db2.gz OHJKDZIRXSMHQH-WMZOPIPTSA-N 1 2 342.443 2.076 20 30 EEEDLO O=C(C#CC1CC1)N1CCCC[C@H]1[C@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC001053086774 1245861846 /nfs/dbraw/zinc/86/18/46/1245861846.db2.gz OHJKDZIRXSMHQH-WMZOPIPTSA-N 1 2 342.443 2.076 20 30 EEEDLO Cc1cccc([C@@H](C)[NH+]2CC3(C2)CN(C(=O)C#CC2CC2)CCO3)c1 ZINC001053245084 1246088859 /nfs/dbraw/zinc/08/88/59/1246088859.db2.gz RJPRYJXJQRXSCA-QGZVFWFLSA-N 1 2 338.451 2.383 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc3ccncc3s1)CCO2 ZINC001053288791 1246144982 /nfs/dbraw/zinc/14/49/82/1246144982.db2.gz MTWIPKWNIKTKGJ-UHFFFAOYSA-N 1 2 343.452 2.399 20 30 EEEDLO Cc1nc(NCC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)cc[nH+]1 ZINC001053348695 1246218788 /nfs/dbraw/zinc/21/87/88/1246218788.db2.gz VQJAUPMPAOAZHY-TZMCWYRMSA-N 1 2 338.415 2.195 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](CC)OC1CCCC1)CCO2 ZINC001053454341 1246348938 /nfs/dbraw/zinc/34/89/38/1246348938.db2.gz VSGHNCMSPPRAOU-QGZVFWFLSA-N 1 2 336.476 2.214 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1scnc1C1CC1)CCO2 ZINC001053463445 1246363207 /nfs/dbraw/zinc/36/32/07/1246363207.db2.gz DMLUTUWDCGKMRC-UHFFFAOYSA-N 1 2 333.457 2.123 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCC4(CC4)C3)C2)CC1 ZINC001052026139 1246389082 /nfs/dbraw/zinc/38/90/82/1246389082.db2.gz AOLFUPMQNABBNK-RTBURBONSA-N 1 2 343.515 2.199 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1c(C)nn(CCC)c1C)CCO2 ZINC001053501846 1246403035 /nfs/dbraw/zinc/40/30/35/1246403035.db2.gz ZVTVQRQTAXLTEQ-UHFFFAOYSA-N 1 2 346.475 2.013 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cscc3Cl)C2)CC1 ZINC001052040639 1246410060 /nfs/dbraw/zinc/41/00/60/1246410060.db2.gz CSAKTBBSNJBHIB-ZDUSSCGKSA-N 1 2 339.892 2.420 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3Cc4ccccc43)C2)CC1 ZINC001052073738 1246449123 /nfs/dbraw/zinc/44/91/23/1246449123.db2.gz NLTCERNVHQSDHT-QUCCMNQESA-N 1 2 339.483 2.121 20 30 EEEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC(C)(C)C3)C2)CC1 ZINC001052077259 1246454076 /nfs/dbraw/zinc/45/40/76/1246454076.db2.gz QACZBMMKLIMOPS-ROUUACIJSA-N 1 2 331.504 2.055 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(C)c(F)c3F)C2)CC1 ZINC001052087145 1246466620 /nfs/dbraw/zinc/46/66/20/1246466620.db2.gz ZSZOUOVKVNEGHS-HNNXBMFYSA-N 1 2 349.425 2.291 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1C)O2 ZINC001053605725 1246522362 /nfs/dbraw/zinc/52/23/62/1246522362.db2.gz KMAQJUMDPBTYJK-HNNXBMFYSA-N 1 2 346.475 2.096 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccnn1C(CC)CC)O2 ZINC001053611811 1246532646 /nfs/dbraw/zinc/53/26/46/1246532646.db2.gz ZRXRTWIEASIJDQ-INIZCTEOSA-N 1 2 346.475 2.393 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccnn1C(CC)CC)O2 ZINC001053611812 1246532788 /nfs/dbraw/zinc/53/27/88/1246532788.db2.gz ZRXRTWIEASIJDQ-MRXNPFEDSA-N 1 2 346.475 2.393 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1occ3c1CCC3)O2 ZINC001053638561 1246572528 /nfs/dbraw/zinc/57/25/28/1246572528.db2.gz PHGAXGYWDMTYEK-OAHLLOKOSA-N 1 2 330.428 2.308 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1coc(CCC)n1)O2 ZINC001053686504 1246647529 /nfs/dbraw/zinc/64/75/29/1246647529.db2.gz RJPDDJVAEIKCDN-AWEZNQCLSA-N 1 2 333.432 2.166 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1c(C)cccc1C)CO2 ZINC001053818675 1246836376 /nfs/dbraw/zinc/83/63/76/1246836376.db2.gz RXRPXSIFKWAIET-KRWDZBQOSA-N 1 2 328.456 2.382 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CCc3ccccc31)CO2 ZINC001053960746 1247072493 /nfs/dbraw/zinc/07/24/93/1247072493.db2.gz HNVIPMFAISGRLE-MSOLQXFVSA-N 1 2 338.451 2.089 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(OC(C)C)n1)CO2 ZINC001053969842 1247082963 /nfs/dbraw/zinc/08/29/63/1247082963.db2.gz ZGRDPXNFPGEWGI-OAHLLOKOSA-N 1 2 345.443 2.018 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1c[nH]c3ccccc13)CO2 ZINC001053988203 1247113104 /nfs/dbraw/zinc/11/31/04/1247113104.db2.gz CAMITAZXGZCBLA-MRXNPFEDSA-N 1 2 339.439 2.246 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc3cnccc31)CO2 ZINC001054008643 1247141361 /nfs/dbraw/zinc/14/13/61/1247141361.db2.gz CRLFIIKVCSPYAH-INIZCTEOSA-N 1 2 337.423 2.384 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)c1ccc(F)c(F)c1)CO2 ZINC001054014111 1247149154 /nfs/dbraw/zinc/14/91/54/1247149154.db2.gz IHYKNKJTYISTDQ-ZFWWWQNUSA-N 1 2 348.393 2.051 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3cccc(C)c3o1)CO2 ZINC001054018024 1247154744 /nfs/dbraw/zinc/15/47/44/1247154744.db2.gz SEKCXAJJOLZJFX-INIZCTEOSA-N 1 2 338.407 2.338 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C13CC(C(F)(F)F)(C1)C3)CO2 ZINC001054017902 1247155509 /nfs/dbraw/zinc/15/55/09/1247155509.db2.gz PHVZDTDGRDGREU-GRTSSRMGSA-N 1 2 344.377 2.255 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC(c3ccccc3)C1)CO2 ZINC001054022023 1247163338 /nfs/dbraw/zinc/16/33/38/1247163338.db2.gz ZZHBCRAYDBZSBY-CTWPCTMYSA-N 1 2 338.451 2.163 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)CC1CCC(OC)CC1)CO2 ZINC001054023052 1247164810 /nfs/dbraw/zinc/16/48/10/1247164810.db2.gz SHYCKSIUZRIWIT-CGZBRXJRSA-N 1 2 336.476 2.117 20 30 EEEDLO C#CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1snnc1C ZINC001054032542 1247180608 /nfs/dbraw/zinc/18/06/08/1247180608.db2.gz BWPKWZMTMSOFAC-MRXNPFEDSA-N 1 2 340.452 2.027 20 30 EEEDLO C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1snnc1C ZINC001054032542 1247180617 /nfs/dbraw/zinc/18/06/17/1247180617.db2.gz BWPKWZMTMSOFAC-MRXNPFEDSA-N 1 2 340.452 2.027 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnn(CC)c1 ZINC001054035260 1247186780 /nfs/dbraw/zinc/18/67/80/1247186780.db2.gz IGUWIHRDUQORLC-LJQANCHMSA-N 1 2 336.439 2.083 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnn(CC)c1 ZINC001054035260 1247186783 /nfs/dbraw/zinc/18/67/83/1247186783.db2.gz IGUWIHRDUQORLC-LJQANCHMSA-N 1 2 336.439 2.083 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cncc(COC)c1 ZINC001054042566 1247206164 /nfs/dbraw/zinc/20/61/64/1247206164.db2.gz BOERBFAHMMVCPJ-FQEVSTJZSA-N 1 2 349.434 2.018 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cncc(COC)c1 ZINC001054042566 1247206173 /nfs/dbraw/zinc/20/61/73/1247206173.db2.gz BOERBFAHMMVCPJ-FQEVSTJZSA-N 1 2 349.434 2.018 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001052613885 1247690636 /nfs/dbraw/zinc/69/06/36/1247690636.db2.gz ZGFJSPGIFBLYSK-HZPDHXFCSA-N 1 2 346.475 2.086 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3cccnc3)cc2C1 ZINC001054283484 1248002284 /nfs/dbraw/zinc/00/22/84/1248002284.db2.gz DEEMXGOOEKNRCK-VQTJNVASSA-N 1 2 331.419 2.450 20 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/nfs/dbraw/zinc/58/42/02/1302584202.db2.gz IFQATJVYEDNWMG-ZDUSSCGKSA-N 1 2 329.379 2.291 20 30 EEEDLO N#CC1(NC(=O)c2noc3c2C[N@H+](Cc2ccccc2)CC3)CCC1 ZINC001277408062 1302909561 /nfs/dbraw/zinc/90/95/61/1302909561.db2.gz JHDMQUURKZCQCD-UHFFFAOYSA-N 1 2 336.395 2.409 20 30 EEEDLO N#CC1(NC(=O)c2noc3c2C[N@@H+](Cc2ccccc2)CC3)CCC1 ZINC001277408062 1302909562 /nfs/dbraw/zinc/90/95/62/1302909562.db2.gz JHDMQUURKZCQCD-UHFFFAOYSA-N 1 2 336.395 2.409 20 30 EEEDLO C=C[C@@H](C(=O)NC1CC[NH+](Cc2nonc2C)CC1)c1ccccc1 ZINC001230331892 1303165012 /nfs/dbraw/zinc/16/50/12/1303165012.db2.gz IORHVULXNMWORQ-QGZVFWFLSA-N 1 2 340.427 2.428 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC1CCCC1 ZINC001230646770 1303357982 /nfs/dbraw/zinc/35/79/82/1303357982.db2.gz WHEQBPXFHJCWNY-NVXWUHKLSA-N 1 2 335.492 2.180 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCC1CCCC1 ZINC001230646770 1303357988 /nfs/dbraw/zinc/35/79/88/1303357988.db2.gz WHEQBPXFHJCWNY-NVXWUHKLSA-N 1 2 335.492 2.180 20 30 EEEDLO CSCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001230704598 1303405383 /nfs/dbraw/zinc/40/53/83/1303405383.db2.gz ANESHYWSKDROJW-HNNXBMFYSA-N 1 2 335.448 2.483 20 30 EEEDLO CSCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001230704598 1303405387 /nfs/dbraw/zinc/40/53/87/1303405387.db2.gz ANESHYWSKDROJW-HNNXBMFYSA-N 1 2 335.448 2.483 20 30 EEEDLO Cc1cc(NC[C@H](C)CNC(=O)c2cc(C#N)c[nH]2)nc(C2CC2)[nH+]1 ZINC001103919456 1303461409 /nfs/dbraw/zinc/46/14/09/1303461409.db2.gz NLPDNTCQWVXWRK-NSHDSACASA-N 1 2 338.415 2.340 20 30 EEEDLO C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)n1cccn1 ZINC001230848886 1303500065 /nfs/dbraw/zinc/50/00/65/1303500065.db2.gz MHJCVMLUIYYLLP-KGLIPLIRSA-N 1 2 343.456 2.110 20 30 EEEDLO C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)n1cccn1 ZINC001230848886 1303500071 /nfs/dbraw/zinc/50/00/71/1303500071.db2.gz MHJCVMLUIYYLLP-KGLIPLIRSA-N 1 2 343.456 2.110 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)CNc1ncc(C#N)cc1Cl ZINC001104038916 1303517806 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337.427 2.208 20 30 EEEDLO COc1cccc(C[NH+]2CC3(C[C@H]3C(=O)N3CC(CC#N)C3)C2)c1F ZINC001277687514 1304188520 /nfs/dbraw/zinc/18/85/20/1304188520.db2.gz CJMMQUQLRYJRLV-HNNXBMFYSA-N 1 2 343.402 2.028 20 30 EEEDLO COCCN1CC[N@H+](Cc2cc(C#N)ccc2O)Cc2cccnc21 ZINC001232675485 1304212316 /nfs/dbraw/zinc/21/23/16/1304212316.db2.gz AEORSSSJTJGWMR-UHFFFAOYSA-N 1 2 338.411 2.127 20 30 EEEDLO COCCN1CC[N@@H+](Cc2cc(C#N)ccc2O)Cc2cccnc21 ZINC001232675485 1304212322 /nfs/dbraw/zinc/21/23/22/1304212322.db2.gz AEORSSSJTJGWMR-UHFFFAOYSA-N 1 2 338.411 2.127 20 30 EEEDLO COc1ccc(O[C@H]2CC[N@H+](Cc3cc(C#N)ccc3O)C2)nc1 ZINC001232681545 1304215416 /nfs/dbraw/zinc/21/54/16/1304215416.db2.gz QDSJCYZZOXESAT-INIZCTEOSA-N 1 2 325.368 2.321 20 30 EEEDLO COc1ccc(O[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3O)C2)nc1 ZINC001232681545 1304215423 /nfs/dbraw/zinc/21/54/23/1304215423.db2.gz QDSJCYZZOXESAT-INIZCTEOSA-N 1 2 325.368 2.321 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(C)CCCN(C)c1[nH+]cnc2c1cnn2C ZINC001112159308 1304285649 /nfs/dbraw/zinc/28/56/49/1304285649.db2.gz BOGMQIWFBUGBJX-CQSZACIVSA-N 1 2 344.463 2.250 20 30 EEEDLO N#Cc1cc[nH]c1CN1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001233044489 1304341814 /nfs/dbraw/zinc/34/18/14/1304341814.db2.gz LCUMLWQUJZSNNO-HNNXBMFYSA-N 1 2 348.410 2.189 20 30 EEEDLO CC(C)[C@@H](O)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001234066367 1304719387 /nfs/dbraw/zinc/71/93/87/1304719387.db2.gz ALQWPFZRYGENFB-QZTJIDSGSA-N 1 2 348.874 2.241 20 30 EEEDLO CC(C)[C@@H](O)C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001234066367 1304719393 /nfs/dbraw/zinc/71/93/93/1304719393.db2.gz ALQWPFZRYGENFB-QZTJIDSGSA-N 1 2 348.874 2.241 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CN(C)C(=O)CC2(C)CCCC2)C1=O ZINC001234088741 1304734638 /nfs/dbraw/zinc/73/46/38/1304734638.db2.gz PXEOFMFNMLZIDL-SJORKVTESA-N 1 2 347.503 2.276 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CN(C)C(=O)CC2(C)CCCC2)C1=O ZINC001234088741 1304734642 /nfs/dbraw/zinc/73/46/42/1304734642.db2.gz PXEOFMFNMLZIDL-SJORKVTESA-N 1 2 347.503 2.276 20 30 EEEDLO CCCN(CCC)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234194193 1304791831 /nfs/dbraw/zinc/79/18/31/1304791831.db2.gz BMPOWBZNTQHSHP-QGZVFWFLSA-N 1 2 349.519 2.217 20 30 EEEDLO CCCN(CCC)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234194193 1304791835 /nfs/dbraw/zinc/79/18/35/1304791835.db2.gz BMPOWBZNTQHSHP-QGZVFWFLSA-N 1 2 349.519 2.217 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1CCOCC(F)(F)F)C(=O)C#CC(C)(C)C ZINC001234204308 1304797637 /nfs/dbraw/zinc/79/76/37/1304797637.db2.gz CBALJFMOTNBOOQ-CYBMUJFWSA-N 1 2 334.382 2.148 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1CCOCC(F)(F)F)C(=O)C#CC(C)(C)C ZINC001234204308 1304797642 /nfs/dbraw/zinc/79/76/42/1304797642.db2.gz CBALJFMOTNBOOQ-CYBMUJFWSA-N 1 2 334.382 2.148 20 30 EEEDLO C#CCOCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1sccc1Cl ZINC001234256223 1304825354 /nfs/dbraw/zinc/82/53/54/1304825354.db2.gz VCLMPYPNBUBGJJ-CYBMUJFWSA-N 1 2 340.876 2.474 20 30 EEEDLO C#CCOCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1sccc1Cl ZINC001234256223 1304825368 /nfs/dbraw/zinc/82/53/68/1304825368.db2.gz VCLMPYPNBUBGJJ-CYBMUJFWSA-N 1 2 340.876 2.474 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001115332336 1304955563 /nfs/dbraw/zinc/95/55/63/1304955563.db2.gz MXBPJNMWRUJFKP-MKVSYHDVSA-N 1 2 347.459 2.110 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001115332336 1304955564 /nfs/dbraw/zinc/95/55/64/1304955564.db2.gz MXBPJNMWRUJFKP-MKVSYHDVSA-N 1 2 347.459 2.110 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N[C@@H](C)CCC ZINC001234553835 1304965596 /nfs/dbraw/zinc/96/55/96/1304965596.db2.gz AMSBZFBEVDAIFF-JKSUJKDBSA-N 1 2 337.508 2.426 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N[C@@H](C)CCC ZINC001234553835 1304965599 /nfs/dbraw/zinc/96/55/99/1304965599.db2.gz AMSBZFBEVDAIFF-JKSUJKDBSA-N 1 2 337.508 2.426 20 30 EEEDLO C=CCCC(=O)NCCC[N@@H+](C)Cc1nnc(C2CC2)n1C1CC1 ZINC001235451961 1305237258 /nfs/dbraw/zinc/23/72/58/1305237258.db2.gz RSDNJLVBMFSZLW-UHFFFAOYSA-N 1 2 331.464 2.395 20 30 EEEDLO C=CCCC(=O)NCCC[N@H+](C)Cc1nnc(C2CC2)n1C1CC1 ZINC001235451961 1305237267 /nfs/dbraw/zinc/23/72/67/1305237267.db2.gz RSDNJLVBMFSZLW-UHFFFAOYSA-N 1 2 331.464 2.395 20 30 EEEDLO Cc1nsc(N[C@@H](C)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1C#N ZINC001120877971 1309808216 /nfs/dbraw/zinc/80/82/16/1309808216.db2.gz GCYAZSGDLPONFR-MVWJERBFSA-N 1 2 344.444 2.109 20 30 EEEDLO Cc1nsc(N[C@@H](C)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1C#N ZINC001120877971 1309808225 /nfs/dbraw/zinc/80/82/25/1309808225.db2.gz GCYAZSGDLPONFR-MVWJERBFSA-N 1 2 344.444 2.109 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001123839782 1310726993 /nfs/dbraw/zinc/72/69/93/1310726993.db2.gz SMDJCESOBNHJOM-KGLIPLIRSA-N 1 2 342.447 2.416 20 30 EEEDLO C=CCS(=O)(=O)NCc1c[nH+]cn1Cc1cccc(Cl)c1 ZINC001259935571 1319746723 /nfs/dbraw/zinc/74/67/23/1319746723.db2.gz IMFRGJYRZRGRFS-UHFFFAOYSA-N 1 2 325.821 2.190 20 30 EEEDLO Cc1cc([NH+]=c2c(C#N)c[nH]c3cnc(Cl)cc32)cn(C)c1=O ZINC001162509171 1320882207 /nfs/dbraw/zinc/88/22/07/1320882207.db2.gz MUWJRJQGYPNANA-UHFFFAOYSA-N 1 2 325.759 2.328 20 30 EEEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccnn2[C@H]2CCCCO2)C1 ZINC001138785412 1314665682 /nfs/dbraw/zinc/66/56/82/1314665682.db2.gz VLTZIUWJNXXIPJ-DOTOQJQBSA-N 1 2 348.447 2.459 20 30 EEEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccnn2[C@H]2CCCCO2)C1 ZINC001138785412 1314665685 /nfs/dbraw/zinc/66/56/85/1314665685.db2.gz VLTZIUWJNXXIPJ-DOTOQJQBSA-N 1 2 348.447 2.459 20 30 EEEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1cc(C)ccc1O ZINC001140619841 1314915797 /nfs/dbraw/zinc/91/57/97/1314915797.db2.gz RINJOLSXLVOVPS-INIZCTEOSA-N 1 2 328.416 2.131 20 30 EEEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1cc(C)ccc1O ZINC001140619841 1314915800 /nfs/dbraw/zinc/91/58/00/1314915800.db2.gz RINJOLSXLVOVPS-INIZCTEOSA-N 1 2 328.416 2.131 20 30 EEEDLO CC(C)[C@@H]1N(C[N@H+](C)Cc2cccc(C#N)c2)C(=O)[C@@]12CCCO2 ZINC000839959045 1315265076 /nfs/dbraw/zinc/26/50/76/1315265076.db2.gz IYGZMOVCLAKAQI-PKOBYXMFSA-N 1 2 327.428 2.364 20 30 EEEDLO CC(C)[C@@H]1N(C[N@@H+](C)Cc2cccc(C#N)c2)C(=O)[C@@]12CCCO2 ZINC000839959045 1315265080 /nfs/dbraw/zinc/26/50/80/1315265080.db2.gz IYGZMOVCLAKAQI-PKOBYXMFSA-N 1 2 327.428 2.364 20 30 EEEDLO C#CC[C@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccccc1 ZINC000840331995 1315352048 /nfs/dbraw/zinc/35/20/48/1315352048.db2.gz HCCJEZSZDMZAIR-KRWDZBQOSA-N 1 2 329.444 2.161 20 30 EEEDLO N#CC1(CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)CCC1 ZINC000842024506 1315653102 /nfs/dbraw/zinc/65/31/02/1315653102.db2.gz OQCSZVWNBSYQPA-UHFFFAOYSA-N 1 2 328.416 2.059 20 30 EEEDLO C#CCCCCC(=O)NC[C@@H]1C[N@H+](Cc2ccc(F)cn2)CCCO1 ZINC001149565482 1315991270 /nfs/dbraw/zinc/99/12/70/1315991270.db2.gz DAKJBRFDLSWZNI-GOSISDBHSA-N 1 2 347.434 2.121 20 30 EEEDLO C#CCCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(F)cn2)CCCO1 ZINC001149565482 1315991272 /nfs/dbraw/zinc/99/12/72/1315991272.db2.gz DAKJBRFDLSWZNI-GOSISDBHSA-N 1 2 347.434 2.121 20 30 EEEDLO CC1(C(=O)NC[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)CCCO2)CC1 ZINC001149744494 1316032181 /nfs/dbraw/zinc/03/21/81/1316032181.db2.gz BAEJZEIIKOHBTA-MRXNPFEDSA-N 1 2 345.418 2.205 20 30 EEEDLO CC1(C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)CCCO2)CC1 ZINC001149744494 1316032187 /nfs/dbraw/zinc/03/21/87/1316032187.db2.gz BAEJZEIIKOHBTA-MRXNPFEDSA-N 1 2 345.418 2.205 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@H]2C[N@H+](Cc3ccns3)CCCO2)C1 ZINC001150307304 1316232039 /nfs/dbraw/zinc/23/20/39/1316232039.db2.gz OPMNNKSPURVHTL-AWEZNQCLSA-N 1 2 335.473 2.207 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@H]2C[N@@H+](Cc3ccns3)CCCO2)C1 ZINC001150307304 1316232042 /nfs/dbraw/zinc/23/20/42/1316232042.db2.gz OPMNNKSPURVHTL-AWEZNQCLSA-N 1 2 335.473 2.207 20 30 EEEDLO C=CC[C@H](Cc1ccccc1)C(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001151907457 1316607600 /nfs/dbraw/zinc/60/76/00/1316607600.db2.gz ZZEYDWACFRSCNN-MRXNPFEDSA-N 1 2 342.443 2.273 20 30 EEEDLO CC[N@H+](Cc1ncc(C2CC2)o1)[C@H](C)CNC(=O)CSCC#N ZINC001151965028 1316614860 /nfs/dbraw/zinc/61/48/60/1316614860.db2.gz FGSUUCWYFJVNQO-GFCCVEGCSA-N 1 2 336.461 2.135 20 30 EEEDLO CC[N@@H+](Cc1ncc(C2CC2)o1)[C@H](C)CNC(=O)CSCC#N ZINC001151965028 1316614863 /nfs/dbraw/zinc/61/48/63/1316614863.db2.gz FGSUUCWYFJVNQO-GFCCVEGCSA-N 1 2 336.461 2.135 20 30 EEEDLO C=CCOC(=O)N[C@H]1CCCN(C(=O)c2c[nH]c3cc[nH+]cc32)C1 ZINC001152977329 1316752084 /nfs/dbraw/zinc/75/20/84/1316752084.db2.gz OOYLVFMIMISIEE-LBPRGKRZSA-N 1 2 328.372 2.080 20 30 EEEDLO C#CCC1(C(=O)NCC[NH2+]Cc2nc(C(C)C)no2)CCCCC1 ZINC001153008923 1316758410 /nfs/dbraw/zinc/75/84/10/1316758410.db2.gz ALQGLFDEZRPRKE-UHFFFAOYSA-N 1 2 332.448 2.373 20 30 EEEDLO C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4cccc(C#N)c4)nc3c2)CC1 ZINC001250459321 1317258374 /nfs/dbraw/zinc/25/83/74/1317258374.db2.gz RJBBXFIBBUQHIB-UHFFFAOYSA-N 1 2 345.406 2.489 20 30 EEEDLO C[N@@H+]1CCO[C@H](CNc2ccc([C@H](C#N)c3ccccc3F)nn2)C1 ZINC001155198223 1317497430 /nfs/dbraw/zinc/49/74/30/1317497430.db2.gz XMJFHDZWMBZHSV-UKRRQHHQSA-N 1 2 341.390 2.014 20 30 EEEDLO C[N@H+]1CCO[C@H](CNc2ccc([C@H](C#N)c3ccccc3F)nn2)C1 ZINC001155198223 1317497441 /nfs/dbraw/zinc/49/74/41/1317497441.db2.gz XMJFHDZWMBZHSV-UKRRQHHQSA-N 1 2 341.390 2.014 20 30 EEEDLO C=CCCCCCC[C@H](O)C[N@@H+]1CCc2c(nnn2C)[C@H]1COC ZINC001253237848 1317805865 /nfs/dbraw/zinc/80/58/65/1317805865.db2.gz NPHDMDGUULFBOP-DOTOQJQBSA-N 1 2 336.480 2.248 20 30 EEEDLO C=CCCCCCC[C@H](O)C[N@H+]1CCc2c(nnn2C)[C@H]1COC ZINC001253237848 1317805872 /nfs/dbraw/zinc/80/58/72/1317805872.db2.gz NPHDMDGUULFBOP-DOTOQJQBSA-N 1 2 336.480 2.248 20 30 EEEDLO C=CC[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC001253996335 1317977990 /nfs/dbraw/zinc/97/79/90/1317977990.db2.gz BUMJJPHWPPSXCZ-SFHVURJKSA-N 1 2 334.485 2.462 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC001253996335 1317977994 /nfs/dbraw/zinc/97/79/94/1317977994.db2.gz BUMJJPHWPPSXCZ-SFHVURJKSA-N 1 2 334.485 2.462 20 30 EEEDLO COC(=O)[C@@]1([NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)CCOC1 ZINC001254350842 1318049642 /nfs/dbraw/zinc/04/96/42/1318049642.db2.gz AAAWUWWYGUTZGT-NKELODKYSA-N 1 2 346.402 2.451 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1[nH]cnc1C ZINC001157347950 1318577652 /nfs/dbraw/zinc/57/76/52/1318577652.db2.gz XYAWRCLBAMXSLH-SNVBAGLBSA-N 1 2 329.242 2.067 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1[nH]cnc1C ZINC001157347950 1318577647 /nfs/dbraw/zinc/57/76/47/1318577647.db2.gz XYAWRCLBAMXSLH-SNVBAGLBSA-N 1 2 329.242 2.067 20 30 EEEDLO CC(C)[C@@H]1C[C@@H](N2CC[NH2+]C[C@@H]2C#N)CCN1C(=O)OC(C)(C)C ZINC001257188421 1318961093 /nfs/dbraw/zinc/96/10/93/1318961093.db2.gz ZXJNPOABZGLKKB-JYJNAYRXSA-N 1 2 336.480 2.208 20 30 EEEDLO N#Cc1c[nH]c2ncnc(N3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)c12 ZINC001158623361 1319338828 /nfs/dbraw/zinc/33/88/28/1319338828.db2.gz GKSYKXXUGXWODR-LBPRGKRZSA-N 1 2 332.358 2.139 20 30 EEEDLO Cc1cn2cc(NS(=O)(=O)c3ccc(F)c(C#N)c3)ccc2[nH+]1 ZINC001259412711 1319559974 /nfs/dbraw/zinc/55/99/74/1319559974.db2.gz HLRSICNKLGEPKX-UHFFFAOYSA-N 1 2 330.344 2.454 20 30 EEEDLO CCc1nnc([C@H](C)[N@H+]2CC=C(CCNC(=O)C#CC(C)C)CC2)[nH]1 ZINC001160054627 1320058606 /nfs/dbraw/zinc/05/86/06/1320058606.db2.gz DSEKSWFQJFXUBP-HNNXBMFYSA-N 1 2 343.475 2.226 20 30 EEEDLO CCc1nnc([C@H](C)[N@@H+]2CC=C(CCNC(=O)C#CC(C)C)CC2)[nH]1 ZINC001160054627 1320058611 /nfs/dbraw/zinc/05/86/11/1320058611.db2.gz DSEKSWFQJFXUBP-HNNXBMFYSA-N 1 2 343.475 2.226 20 30 EEEDLO CC(C)C#CC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ncccn2)CC1 ZINC001160055002 1320058973 /nfs/dbraw/zinc/05/89/73/1320058973.db2.gz QFVZOHLMRGJEAB-INIZCTEOSA-N 1 2 326.444 2.335 20 30 EEEDLO CC(C)C#CC(=O)NCCC1=CC[N@H+]([C@@H](C)c2ncccn2)CC1 ZINC001160055002 1320058977 /nfs/dbraw/zinc/05/89/77/1320058977.db2.gz QFVZOHLMRGJEAB-INIZCTEOSA-N 1 2 326.444 2.335 20 30 EEEDLO C#CCC1(C(=O)NCCC2=CC[N@H+](Cc3nonc3C)CC2)CCC1 ZINC001160313817 1320130461 /nfs/dbraw/zinc/13/04/61/1320130461.db2.gz ACBUOMFIDDFVIK-UHFFFAOYSA-N 1 2 342.443 2.210 20 30 EEEDLO C#CCC1(C(=O)NCCC2=CC[N@@H+](Cc3nonc3C)CC2)CCC1 ZINC001160313817 1320130463 /nfs/dbraw/zinc/13/04/63/1320130463.db2.gz ACBUOMFIDDFVIK-UHFFFAOYSA-N 1 2 342.443 2.210 20 30 EEEDLO C=C1CC(C)(C(=O)NCCC2=CC[N@H+](Cc3cn(CC)nn3)CC2)C1 ZINC001161173185 1320408708 /nfs/dbraw/zinc/40/87/08/1320408708.db2.gz LZRVUTSXVCZQSL-UHFFFAOYSA-N 1 2 343.475 2.293 20 30 EEEDLO C=C1CC(C)(C(=O)NCCC2=CC[N@@H+](Cc3cn(CC)nn3)CC2)C1 ZINC001161173185 1320408712 /nfs/dbraw/zinc/40/87/12/1320408712.db2.gz LZRVUTSXVCZQSL-UHFFFAOYSA-N 1 2 343.475 2.293 20 30 EEEDLO C=CCCOCC(=O)NCCC1=CC[N@H+](Cc2ncc(C)cn2)CC1 ZINC001161978184 1320705113 /nfs/dbraw/zinc/70/51/13/1320705113.db2.gz NECKIBNYIOVRFY-UHFFFAOYSA-N 1 2 344.459 2.016 20 30 EEEDLO C=CCCOCC(=O)NCCC1=CC[N@@H+](Cc2ncc(C)cn2)CC1 ZINC001161978184 1320705116 /nfs/dbraw/zinc/70/51/16/1320705116.db2.gz NECKIBNYIOVRFY-UHFFFAOYSA-N 1 2 344.459 2.016 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCC1(C[NH2+]Cc2noc(CC)n2)CC1 ZINC001166692238 1321766677 /nfs/dbraw/zinc/76/66/77/1321766677.db2.gz BZJYROPTOJYIEC-ZIAGYGMSSA-N 1 2 334.464 2.466 20 30 EEEDLO N#CC[C@@H]1CCCN(c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)C1 ZINC001166740599 1321778638 /nfs/dbraw/zinc/77/86/38/1321778638.db2.gz BDUNWGHMFCWPRR-HNNXBMFYSA-N 1 2 341.463 2.202 20 30 EEEDLO N#CC[C@@H]1CCCN(c2nc(N3CCCC3)nc(N3CCCC3)[nH+]2)C1 ZINC001166740599 1321778640 /nfs/dbraw/zinc/77/86/40/1321778640.db2.gz BDUNWGHMFCWPRR-HNNXBMFYSA-N 1 2 341.463 2.202 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC(CSC)CC1 ZINC001262990973 1322417942 /nfs/dbraw/zinc/41/79/42/1322417942.db2.gz VDDAKIYUPWXAIE-UHFFFAOYSA-N 1 2 346.504 2.368 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1C ZINC001206662453 1323555113 /nfs/dbraw/zinc/55/51/13/1323555113.db2.gz KJOCYQYLNXEBQB-JJRVBVJISA-N 1 2 338.411 2.438 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1C ZINC001206662453 1323555118 /nfs/dbraw/zinc/55/51/18/1323555118.db2.gz KJOCYQYLNXEBQB-JJRVBVJISA-N 1 2 338.411 2.438 20 30 EEEDLO CC(C)COC[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)Cc2ncn(C)c21 ZINC001207104080 1323849110 /nfs/dbraw/zinc/84/91/10/1323849110.db2.gz JNHPJQGEHPKVAZ-MRXNPFEDSA-N 1 2 341.459 2.402 20 30 EEEDLO CC(C)COC[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)Cc2ncn(C)c21 ZINC001207104080 1323849114 /nfs/dbraw/zinc/84/91/14/1323849114.db2.gz JNHPJQGEHPKVAZ-MRXNPFEDSA-N 1 2 341.459 2.402 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cncc(C5CC5)c4)C3)C2)cc1C#N ZINC001280071655 1324074228 /nfs/dbraw/zinc/07/42/28/1324074228.db2.gz XBIUBMJXFPNHLN-UHFFFAOYSA-N 1 2 347.466 2.487 20 30 EEEDLO Cn1cc(CN2CC3(C2)C[NH+](Cc2cncc(C4CC4)c2)C3)cc1C#N ZINC001280071655 1324074234 /nfs/dbraw/zinc/07/42/34/1324074234.db2.gz XBIUBMJXFPNHLN-UHFFFAOYSA-N 1 2 347.466 2.487 20 30 EEEDLO COCC1(C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)CC1 ZINC001207984596 1324246312 /nfs/dbraw/zinc/24/63/12/1324246312.db2.gz FJTQSGBHXLFDMA-CXAGYDPISA-N 1 2 345.418 2.060 20 30 EEEDLO COCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)CC1 ZINC001207984596 1324246317 /nfs/dbraw/zinc/24/63/17/1324246317.db2.gz FJTQSGBHXLFDMA-CXAGYDPISA-N 1 2 345.418 2.060 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)C[C@H]1C ZINC001208393174 1324472600 /nfs/dbraw/zinc/47/26/00/1324472600.db2.gz JUNSZOSUHVGPAO-RVKKMQEKSA-N 1 2 330.476 2.368 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)C[C@H]1C ZINC001208393174 1324472604 /nfs/dbraw/zinc/47/26/04/1324472604.db2.gz JUNSZOSUHVGPAO-RVKKMQEKSA-N 1 2 330.476 2.368 20 30 EEEDLO CC(C)C(C#N)=CNNc1ccc(S(=O)(=O)NC2CCCC2)c[nH+]1 ZINC001319496404 1332711793 /nfs/dbraw/zinc/71/17/93/1332711793.db2.gz JVHIYFDJOBNTIX-ZDUSSCGKSA-N 1 2 349.460 2.496 20 30 EEEDLO C[C@@H](CNC(=O)c1ccc2[nH]nnc2c1)[N@H+](C)Cc1cccc(C#N)c1 ZINC001329612803 1334683952 /nfs/dbraw/zinc/68/39/52/1334683952.db2.gz HMMXROOVPLASTH-ZDUSSCGKSA-N 1 2 348.410 2.080 20 30 EEEDLO C[C@@H](CNC(=O)c1ccc2[nH]nnc2c1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001329612803 1334683957 /nfs/dbraw/zinc/68/39/57/1334683957.db2.gz HMMXROOVPLASTH-ZDUSSCGKSA-N 1 2 348.410 2.080 20 30 EEEDLO 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C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001757266929 1409605493 /nfs/dbraw/zinc/60/54/93/1409605493.db2.gz ABZMKSUNPRCBOP-MDZRGWNJSA-N 1 2 346.475 2.488 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001757266929 1409605497 /nfs/dbraw/zinc/60/54/97/1409605497.db2.gz ABZMKSUNPRCBOP-MDZRGWNJSA-N 1 2 346.475 2.488 20 30 EEEDLO COCCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H](CC#N)C1 ZINC001772282663 1410117664 /nfs/dbraw/zinc/11/76/64/1410117664.db2.gz NQBNVUIYKYDVLY-MRXNPFEDSA-N 1 2 346.479 2.040 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2snnc2C)CCC1 ZINC001110652405 1410829394 /nfs/dbraw/zinc/82/93/94/1410829394.db2.gz CDDWMSYVTVSOJC-KFWWJZLASA-N 1 2 344.484 2.262 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2snnc2C)CCC1 ZINC001110652405 1410829402 /nfs/dbraw/zinc/82/94/02/1410829402.db2.gz CDDWMSYVTVSOJC-KFWWJZLASA-N 1 2 344.484 2.262 20 30 EEEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(C)c(C#N)cn2)CC1 ZINC001164916372 721814487 /nfs/dbraw/zinc/81/44/87/721814487.db2.gz CUVCHLFWOUHPKE-UHFFFAOYSA-N 1 2 336.443 2.208 20 30 EEEDLO CC(=O)Nc1ccc(Nc2ccc[nH+]c2N2CCOCC2)cc1C#N ZINC001212363000 790273247 /nfs/dbraw/zinc/27/32/47/790273247.db2.gz ZISFQSPDWMVNBQ-UHFFFAOYSA-N 1 2 337.383 2.492 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001063175663 790304204 /nfs/dbraw/zinc/30/42/04/790304204.db2.gz XCTGFYUBIQFUJS-ZIAGYGMSSA-N 1 2 344.459 2.271 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001063175663 790304211 /nfs/dbraw/zinc/30/42/11/790304211.db2.gz XCTGFYUBIQFUJS-ZIAGYGMSSA-N 1 2 344.459 2.271 20 30 EEEDLO C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)CNc1cccc(F)c1C#N ZINC001104246562 757567597 /nfs/dbraw/zinc/56/75/97/757567597.db2.gz WZYLBAGKCRZOSO-GFCCVEGCSA-N 1 2 329.379 2.217 20 30 EEEDLO C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)CNc1cccc(F)c1C#N ZINC001104246562 757567610 /nfs/dbraw/zinc/56/76/10/757567610.db2.gz WZYLBAGKCRZOSO-GFCCVEGCSA-N 1 2 329.379 2.217 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@H](C)C1 ZINC001112487264 757969888 /nfs/dbraw/zinc/96/98/88/757969888.db2.gz KNLSBMVKDJJWRP-ZIAGYGMSSA-N 1 2 342.447 2.193 20 30 EEEDLO C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](C[NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001087164429 759845090 /nfs/dbraw/zinc/84/50/90/759845090.db2.gz YIAVLVGPIBKUGV-CJNGLKHVSA-N 1 2 342.443 2.077 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)CCCC4)[C@H]2C1 ZINC001083266171 761333343 /nfs/dbraw/zinc/33/33/43/761333343.db2.gz LBUVNBFXMWHEKC-VQTJNVASSA-N 1 2 338.451 2.114 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)CCCC4)[C@H]2C1 ZINC001083266171 761333350 /nfs/dbraw/zinc/33/33/50/761333350.db2.gz LBUVNBFXMWHEKC-VQTJNVASSA-N 1 2 338.451 2.114 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1coc(C)n1 ZINC001024444338 761383079 /nfs/dbraw/zinc/38/30/79/761383079.db2.gz ZGPYCINSRDJZIK-KURKYZTESA-N 1 2 347.459 2.435 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1coc(C)n1 ZINC001024444338 761383086 /nfs/dbraw/zinc/38/30/86/761383086.db2.gz ZGPYCINSRDJZIK-KURKYZTESA-N 1 2 347.459 2.435 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(C)[C@@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104541596 761721031 /nfs/dbraw/zinc/72/10/31/761721031.db2.gz QUZALJAYCJJXQN-ORAYPTAESA-N 1 2 346.475 2.250 20 30 EEEDLO NC(=[NH+]OCCOC[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000782947617 764647498 /nfs/dbraw/zinc/64/74/98/764647498.db2.gz CVNUFCOAUJTEDF-ZDUSSCGKSA-N 1 2 343.221 2.282 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N(C)[C@@H](C)CNc3ccc(C#N)cn3)ccn12 ZINC001104687343 764742125 /nfs/dbraw/zinc/74/21/25/764742125.db2.gz JYARTTSGGYNQGJ-ZDUSSCGKSA-N 1 2 348.410 2.482 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)[C@H](C)CNc2ccc(C#N)nn2)c(C)[nH+]1 ZINC001104883412 765500147 /nfs/dbraw/zinc/50/01/47/765500147.db2.gz JEFVDUUCYWPBBJ-CYBMUJFWSA-N 1 2 338.415 2.241 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)[C@@H](C)C1 ZINC001105054721 768964491 /nfs/dbraw/zinc/96/44/91/768964491.db2.gz CNZVGEVGXSWZJH-DZGCQCFKSA-N 1 2 342.447 2.369 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3c(Cl)cnn3CC)[C@@H]2C1 ZINC001075831296 782733666 /nfs/dbraw/zinc/73/36/66/782733666.db2.gz RVPHFYRXPVNVDI-WCQYABFASA-N 1 2 343.258 2.455 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3c(Cl)cnn3CC)[C@@H]2C1 ZINC001075831296 782733673 /nfs/dbraw/zinc/73/36/73/782733673.db2.gz RVPHFYRXPVNVDI-WCQYABFASA-N 1 2 343.258 2.455 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)C1CCOCC1 ZINC001031511547 769279378 /nfs/dbraw/zinc/27/93/78/769279378.db2.gz LEXJDFPFHKSVOJ-UHFFFAOYSA-N 1 2 346.858 2.166 20 30 EEEDLO Cc1ccoc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031549749 769544726 /nfs/dbraw/zinc/54/47/26/769544726.db2.gz WHPIHAXWQKAITH-UHFFFAOYSA-N 1 2 326.371 2.440 20 30 EEEDLO Cc1nc(NC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C)ccc1C#N ZINC001125943287 769687685 /nfs/dbraw/zinc/68/76/85/769687685.db2.gz XMPKBYZHQFGYRD-HNNXBMFYSA-N 1 2 340.431 2.101 20 30 EEEDLO C=C1CCC(C(=O)N2CC(n3cc(C[NH2+]C[C@@H](F)CC)nn3)C2)CC1 ZINC001105322607 769711296 /nfs/dbraw/zinc/71/12/96/769711296.db2.gz XDTVKJOVNCSWSZ-HNNXBMFYSA-N 1 2 349.454 2.246 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)c3cncs3)C2)c1 ZINC001031567025 769712107 /nfs/dbraw/zinc/71/21/07/769712107.db2.gz HCVRTZJLAAOFEQ-UHFFFAOYSA-N 1 2 330.388 2.016 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)c1cocn1 ZINC001031579353 769827100 /nfs/dbraw/zinc/82/71/00/769827100.db2.gz GDVOBCAHQRVEFA-UHFFFAOYSA-N 1 2 329.787 2.041 20 30 EEEDLO C[C@H](C[C@H](C)Nc1cnc(C#N)cn1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089495105 769863022 /nfs/dbraw/zinc/86/30/22/769863022.db2.gz DSMPIHODIXGUSK-NWDGAFQWSA-N 1 2 349.398 2.234 20 30 EEEDLO C[C@H](C[C@H](C)Nc1ncccc1C#N)NC(=O)CCc1[nH+]ccn1C ZINC001089522668 770091325 /nfs/dbraw/zinc/09/13/25/770091325.db2.gz AKEFUYVWYQHMOI-KGLIPLIRSA-N 1 2 340.431 2.015 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)C3CC(F)(F)C3)C2)c1 ZINC001031609218 770190009 /nfs/dbraw/zinc/19/00/09/770190009.db2.gz QPUOCDIJUOILSN-UHFFFAOYSA-N 1 2 337.345 2.291 20 30 EEEDLO C=CCC(CC=C)C(=O)NC[C@@H]1CN(c2cc[nH+]c(C)n2)CCCO1 ZINC001089547994 770241474 /nfs/dbraw/zinc/24/14/74/770241474.db2.gz ZWVPLDLNUBLWEW-QGZVFWFLSA-N 1 2 344.459 2.265 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H](n3cc(C[NH2+]C/C=C\Cl)nn3)C2)C1 ZINC001098715767 782820972 /nfs/dbraw/zinc/82/09/72/782820972.db2.gz JNOGXXVIQYJKCF-UYWPIULCSA-N 1 2 349.866 2.250 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001027813033 770469620 /nfs/dbraw/zinc/46/96/20/770469620.db2.gz MEWFBGWRDQJPFH-CQSZACIVSA-N 1 2 341.415 2.392 20 30 EEEDLO CC(C)c1ocnc1C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001027813033 770469628 /nfs/dbraw/zinc/46/96/28/770469628.db2.gz MEWFBGWRDQJPFH-CQSZACIVSA-N 1 2 341.415 2.392 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3CCC)CC[C@@H]2C1 ZINC001088066473 782843424 /nfs/dbraw/zinc/84/34/24/782843424.db2.gz LSQRUAWGZAAMSV-CVEARBPZSA-N 1 2 345.491 2.181 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3CCC)CC[C@@H]2C1 ZINC001088066473 782843434 /nfs/dbraw/zinc/84/34/34/782843434.db2.gz LSQRUAWGZAAMSV-CVEARBPZSA-N 1 2 345.491 2.181 20 30 EEEDLO Cc1cc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)ns1 ZINC001031638238 770525793 /nfs/dbraw/zinc/52/57/93/770525793.db2.gz BZWYVYGNRFIUFG-UHFFFAOYSA-N 1 2 325.437 2.165 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ncc(C)cn3)C[C@@H]2C)C1 ZINC000942608374 782851984 /nfs/dbraw/zinc/85/19/84/782851984.db2.gz ULWPDSYDSPDJOR-JKSUJKDBSA-N 1 2 328.460 2.468 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3ncc(C)cn3)C[C@@H]2C)C1 ZINC000942608374 782851990 /nfs/dbraw/zinc/85/19/90/782851990.db2.gz ULWPDSYDSPDJOR-JKSUJKDBSA-N 1 2 328.460 2.468 20 30 EEEDLO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)c1ncc[nH]1 ZINC001027871311 773817842 /nfs/dbraw/zinc/81/78/42/773817842.db2.gz BKXFAKBBNKTSKA-OAHLLOKOSA-N 1 2 342.830 2.309 20 30 EEEDLO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)c1ncc[nH]1 ZINC001027871311 773817846 /nfs/dbraw/zinc/81/78/46/773817846.db2.gz BKXFAKBBNKTSKA-OAHLLOKOSA-N 1 2 342.830 2.309 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001060755260 774101327 /nfs/dbraw/zinc/10/13/27/774101327.db2.gz UBNGPUDBPGIZNV-QAQDUYKDSA-N 1 2 346.475 2.421 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)NC(=O)C2 ZINC001027905054 774211234 /nfs/dbraw/zinc/21/12/34/774211234.db2.gz PSYMDAVNHAPLTJ-CQSZACIVSA-N 1 2 333.819 2.128 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)NC(=O)C2 ZINC001027905054 774211240 /nfs/dbraw/zinc/21/12/40/774211240.db2.gz PSYMDAVNHAPLTJ-CQSZACIVSA-N 1 2 333.819 2.128 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2ncccn2)C1 ZINC000980271110 774224728 /nfs/dbraw/zinc/22/47/28/774224728.db2.gz UCQACWRPXPXQMP-LPHOPBHVSA-N 1 2 348.450 2.294 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2ncccn2)C1 ZINC000980271110 774224733 /nfs/dbraw/zinc/22/47/33/774224733.db2.gz UCQACWRPXPXQMP-LPHOPBHVSA-N 1 2 348.450 2.294 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000938682484 774388283 /nfs/dbraw/zinc/38/82/83/774388283.db2.gz POELJIIQUOEJRD-AWEZNQCLSA-N 1 2 338.411 2.250 20 30 EEEDLO Cc1nc(N2CC=C(CNC(=O)[C@@H](C)C#N)CC2)c2c([nH+]1)CCCC2 ZINC001127582425 774451964 /nfs/dbraw/zinc/45/19/64/774451964.db2.gz MVQCRBZWHAQZID-ZDUSSCGKSA-N 1 2 339.443 2.076 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000938711854 774466564 /nfs/dbraw/zinc/46/65/64/774466564.db2.gz APIFCCUMUFASFP-UONOGXRCSA-N 1 2 344.459 2.149 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ncc(F)cc2F)C1 ZINC001031771193 775297783 /nfs/dbraw/zinc/29/77/83/775297783.db2.gz FYVKKEPPAUUOJY-UHFFFAOYSA-N 1 2 342.349 2.093 20 30 EEEDLO CCO[C@@H]1C[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000980749201 775437945 /nfs/dbraw/zinc/43/79/45/775437945.db2.gz QTBKKAIOLCHHNF-FUHWJXTLSA-N 1 2 345.418 2.157 20 30 EEEDLO CCO[C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000980749201 775437953 /nfs/dbraw/zinc/43/79/53/775437953.db2.gz QTBKKAIOLCHHNF-FUHWJXTLSA-N 1 2 345.418 2.157 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N(C)Cc2cccs2)cc1 ZINC000060454810 790369652 /nfs/dbraw/zinc/36/96/52/790369652.db2.gz BZHHLTGJDVRQOX-UHFFFAOYSA-N 1 2 347.440 2.247 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N(C)Cc2ccccc2)cc1 ZINC000060455545 790370594 /nfs/dbraw/zinc/37/05/94/790370594.db2.gz VOSJADUZGXAONM-UHFFFAOYSA-N 1 2 341.411 2.185 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]nc1-c1ccncc1 ZINC001027995065 775824644 /nfs/dbraw/zinc/82/46/44/775824644.db2.gz GNUWDXLRSNRXOM-AWEZNQCLSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]nc1-c1ccncc1 ZINC001027995065 775824652 /nfs/dbraw/zinc/82/46/52/775824652.db2.gz GNUWDXLRSNRXOM-AWEZNQCLSA-N 1 2 345.834 2.418 20 30 EEEDLO C=CCn1cccc1C(=O)NC1C[NH+](C[C@H](OC)c2ccccc2)C1 ZINC001030448061 790408326 /nfs/dbraw/zinc/40/83/26/790408326.db2.gz ZVQRHGOSMGEJRD-IBGZPJMESA-N 1 2 339.439 2.476 20 30 EEEDLO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)c1cnco1 ZINC001028052211 776849924 /nfs/dbraw/zinc/84/99/24/776849924.db2.gz BYLSOLWJFMAYCR-MRXNPFEDSA-N 1 2 327.359 2.060 20 30 EEEDLO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)c1cnco1 ZINC001028052211 776849930 /nfs/dbraw/zinc/84/99/30/776849930.db2.gz BYLSOLWJFMAYCR-MRXNPFEDSA-N 1 2 327.359 2.060 20 30 EEEDLO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001028070311 776980427 /nfs/dbraw/zinc/98/04/27/776980427.db2.gz ZCZQNSFWAYFEIY-MRXNPFEDSA-N 1 2 325.416 2.242 20 30 EEEDLO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001028070311 776980435 /nfs/dbraw/zinc/98/04/35/776980435.db2.gz ZCZQNSFWAYFEIY-MRXNPFEDSA-N 1 2 325.416 2.242 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC000981313437 777137733 /nfs/dbraw/zinc/13/77/33/777137733.db2.gz DBIYMNCUSQKGOM-CABCVRRESA-N 1 2 341.390 2.251 20 30 EEEDLO Cc1cncc(C)c1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031844399 777247892 /nfs/dbraw/zinc/24/78/92/777247892.db2.gz NFHBVGPCDAUHDV-UHFFFAOYSA-N 1 2 334.423 2.432 20 30 EEEDLO Cc1ccc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)nc1C ZINC001031850993 777375920 /nfs/dbraw/zinc/37/59/20/777375920.db2.gz WLBBVIWUPMFXDS-UHFFFAOYSA-N 1 2 334.423 2.432 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCc2nc(C(C)C)no2)CC1 ZINC000981723767 778076310 /nfs/dbraw/zinc/07/63/10/778076310.db2.gz LFMHNMJLZIHCQJ-UHFFFAOYSA-N 1 2 340.855 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCc2nc(C(C)C)no2)CC1 ZINC000981723767 778076316 /nfs/dbraw/zinc/07/63/16/778076316.db2.gz LFMHNMJLZIHCQJ-UHFFFAOYSA-N 1 2 340.855 2.412 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ncc(C(C)C)o1 ZINC001028146506 778437596 /nfs/dbraw/zinc/43/75/96/778437596.db2.gz HUCBRIZCZMUNBC-XHSDSOJGSA-N 1 2 347.459 2.470 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncc(C(C)C)o1 ZINC001028146506 778437601 /nfs/dbraw/zinc/43/76/01/778437601.db2.gz HUCBRIZCZMUNBC-XHSDSOJGSA-N 1 2 347.459 2.470 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CCC[N@H+](Cc1nccn1C)C2 ZINC000981979680 778745256 /nfs/dbraw/zinc/74/52/56/778745256.db2.gz HZCDKGLIBFRYSV-GOSISDBHSA-N 1 2 330.476 2.447 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CCC[N@@H+](Cc1nccn1C)C2 ZINC000981979680 778745258 /nfs/dbraw/zinc/74/52/58/778745258.db2.gz HZCDKGLIBFRYSV-GOSISDBHSA-N 1 2 330.476 2.447 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]ncc1Br ZINC001028203905 778903760 /nfs/dbraw/zinc/90/37/60/778903760.db2.gz FLPZGGXGCPCRSQ-SECBINFHSA-N 1 2 347.644 2.119 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]ncc1Br ZINC001028203905 778903762 /nfs/dbraw/zinc/90/37/62/778903762.db2.gz FLPZGGXGCPCRSQ-SECBINFHSA-N 1 2 347.644 2.119 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccon2)C(C)(C)C1 ZINC000940593202 778962862 /nfs/dbraw/zinc/96/28/62/778962862.db2.gz HEVCYGZSRDGIGZ-LBPRGKRZSA-N 1 2 342.237 2.414 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccon2)C(C)(C)C1 ZINC000940593202 778962863 /nfs/dbraw/zinc/96/28/63/778962863.db2.gz HEVCYGZSRDGIGZ-LBPRGKRZSA-N 1 2 342.237 2.414 20 30 EEEDLO Cc1cocc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031900963 778983163 /nfs/dbraw/zinc/98/31/63/778983163.db2.gz IOOVIENRQMVXGB-UHFFFAOYSA-N 1 2 326.371 2.440 20 30 EEEDLO Cc1nnc([C@H](C)[N@@H+]2C[C@@]3(C)CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)o1 ZINC000982278958 779503608 /nfs/dbraw/zinc/50/36/08/779503608.db2.gz UYNUGJRZSDPYDS-FASAQXTFSA-N 1 2 342.443 2.023 20 30 EEEDLO Cc1nnc([C@H](C)[N@H+]2C[C@@]3(C)CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)o1 ZINC000982278958 779503614 /nfs/dbraw/zinc/50/36/14/779503614.db2.gz UYNUGJRZSDPYDS-FASAQXTFSA-N 1 2 342.443 2.023 20 30 EEEDLO C=CCn1c(C)nn(CN2CC[NH+](Cc3ccncc3)CC2)c1=S ZINC000070699298 779659281 /nfs/dbraw/zinc/65/92/81/779659281.db2.gz MCAILRRRLZYKFI-UHFFFAOYSA-N 1 2 344.488 2.079 20 30 EEEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000846988593 790797446 /nfs/dbraw/zinc/79/74/46/790797446.db2.gz UFNMUGHJVYEWAN-HUUCEWRRSA-N 1 2 330.432 2.132 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1COc2ccccc2O1 ZINC001028297931 780602062 /nfs/dbraw/zinc/60/20/62/780602062.db2.gz OFNLMYBWAPPZFA-BBRMVZONSA-N 1 2 336.819 2.160 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1COc2ccccc2O1 ZINC001028297931 780602072 /nfs/dbraw/zinc/60/20/72/780602072.db2.gz OFNLMYBWAPPZFA-BBRMVZONSA-N 1 2 336.819 2.160 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)nnn2CC ZINC001028311191 780674931 /nfs/dbraw/zinc/67/49/31/780674931.db2.gz HGWODIMPZBUZNJ-AWEZNQCLSA-N 1 2 347.850 2.398 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)nnn2CC ZINC001028311191 780674935 /nfs/dbraw/zinc/67/49/35/780674935.db2.gz HGWODIMPZBUZNJ-AWEZNQCLSA-N 1 2 347.850 2.398 20 30 EEEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cnco2)C1 ZINC001087457107 780886067 /nfs/dbraw/zinc/88/60/67/780886067.db2.gz HDOZTPKHEPUTDH-HZPDHXFCSA-N 1 2 327.359 2.035 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cnco2)C1 ZINC001087457107 780886076 /nfs/dbraw/zinc/88/60/76/780886076.db2.gz HDOZTPKHEPUTDH-HZPDHXFCSA-N 1 2 327.359 2.035 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C(F)F)nn2C)C1 ZINC001033269051 783285376 /nfs/dbraw/zinc/28/53/76/783285376.db2.gz UZGKNVVMIGRSIP-SNVBAGLBSA-N 1 2 332.782 2.257 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C(F)F)nn2C)C1 ZINC001033269051 783285384 /nfs/dbraw/zinc/28/53/84/783285384.db2.gz UZGKNVVMIGRSIP-SNVBAGLBSA-N 1 2 332.782 2.257 20 30 EEEDLO CCCCc1noc(C[NH2+][C@H]2CCCCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001088281300 783352221 /nfs/dbraw/zinc/35/22/21/783352221.db2.gz KOSHJDWJTBWPIY-GJZGRUSLSA-N 1 2 347.463 2.433 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001035036976 783591892 /nfs/dbraw/zinc/59/18/92/783591892.db2.gz ISLGCXQUBXFULM-KDOFPFPSSA-N 1 2 348.495 2.111 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091508874 791021062 /nfs/dbraw/zinc/02/10/62/791021062.db2.gz RVMPNEYOLMLMQM-SNUQEOBHSA-N 1 2 342.447 2.272 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(F)c3ccccc3c2)C1 ZINC001035393460 784434727 /nfs/dbraw/zinc/43/47/27/784434727.db2.gz BMCNRRFZHXZJAG-QGZVFWFLSA-N 1 2 340.398 2.433 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc(F)c3ccccc3c2)C1 ZINC001035393460 784434735 /nfs/dbraw/zinc/43/47/35/784434735.db2.gz BMCNRRFZHXZJAG-QGZVFWFLSA-N 1 2 340.398 2.433 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C3CCCCC3)n[nH]2)C1 ZINC001035400083 784445730 /nfs/dbraw/zinc/44/57/30/784445730.db2.gz YLUZAKDGTCQIOY-OAHLLOKOSA-N 1 2 332.448 2.074 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C3CCCCC3)n[nH]2)C1 ZINC001035400083 784445734 /nfs/dbraw/zinc/44/57/34/784445734.db2.gz YLUZAKDGTCQIOY-OAHLLOKOSA-N 1 2 332.448 2.074 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)n([C@H](C)CC)n2)C1 ZINC001035423924 784467370 /nfs/dbraw/zinc/46/73/70/784467370.db2.gz MWTBTISYJFXKRN-ZBFHGGJFSA-N 1 2 334.464 2.169 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)n([C@H](C)CC)n2)C1 ZINC001035423924 784467377 /nfs/dbraw/zinc/46/73/77/784467377.db2.gz MWTBTISYJFXKRN-ZBFHGGJFSA-N 1 2 334.464 2.169 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)n(C(CC)CC)n2)C1 ZINC001035425212 784468282 /nfs/dbraw/zinc/46/82/82/784468282.db2.gz VKOBYBHVVXYUGO-QGZVFWFLSA-N 1 2 346.475 2.007 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)n(C(CC)CC)n2)C1 ZINC001035425212 784468289 /nfs/dbraw/zinc/46/82/89/784468289.db2.gz VKOBYBHVVXYUGO-QGZVFWFLSA-N 1 2 346.475 2.007 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001035623554 784815589 /nfs/dbraw/zinc/81/55/89/784815589.db2.gz DEXMCWAXSVRORL-SFHVURJKSA-N 1 2 331.460 2.149 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(N(C)CCC)cc2)C1 ZINC001035623554 784815598 /nfs/dbraw/zinc/81/55/98/784815598.db2.gz DEXMCWAXSVRORL-SFHVURJKSA-N 1 2 331.460 2.149 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc(N(C)C)nc1)CC2 ZINC001035742526 785058451 /nfs/dbraw/zinc/05/84/51/785058451.db2.gz ZLLJSQGFCAVTCR-UHFFFAOYSA-N 1 2 348.878 2.438 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)/C=C(/C)CC)CC2)C1 ZINC001105707207 785880387 /nfs/dbraw/zinc/88/03/87/785880387.db2.gz RFKWDBQYPZNZHA-SSZFMOIBSA-N 1 2 336.476 2.237 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC/C=C/CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107148311 786108625 /nfs/dbraw/zinc/10/86/25/786108625.db2.gz GQBGDDWPWUDNGG-IHHMQQGQSA-N 1 2 344.459 2.075 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)C(CC)CC)nn2)C1 ZINC001107184092 786285691 /nfs/dbraw/zinc/28/56/91/786285691.db2.gz CMFNDVINFBEJJQ-AWEZNQCLSA-N 1 2 333.480 2.399 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)c3ccc(C)o3)nn2)C1 ZINC001107218957 786474908 /nfs/dbraw/zinc/47/49/08/786474908.db2.gz JTTYLUWYZZHHQC-AWEZNQCLSA-N 1 2 343.431 2.032 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3(C)C(C)(C)C3(C)C)nn2)C1 ZINC001107243853 786572699 /nfs/dbraw/zinc/57/26/99/786572699.db2.gz ITLGJTYDVLGIBH-UHFFFAOYSA-N 1 2 331.464 2.009 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)CCCNc1ncnc2c1C[N@H+](C)CC2 ZINC001109577805 805708556 /nfs/dbraw/zinc/70/85/56/805708556.db2.gz WITOICBNDIBHTF-UHFFFAOYSA-N 1 2 345.491 2.327 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)CCCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001109577805 805708561 /nfs/dbraw/zinc/70/85/61/805708561.db2.gz WITOICBNDIBHTF-UHFFFAOYSA-N 1 2 345.491 2.327 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)CCCNc1[nH+]cnc2c1cnn2C ZINC001109582602 805713311 /nfs/dbraw/zinc/71/33/11/805713311.db2.gz DHKLWRGEVSQJOQ-ZDUSSCGKSA-N 1 2 330.436 2.226 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c(F)cc(F)cc2F)[C@@H](O)C1 ZINC001090535214 786777281 /nfs/dbraw/zinc/77/72/81/786777281.db2.gz SPACQKBXOBAWGF-OLZOCXBDSA-N 1 2 348.752 2.021 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c(F)cc(F)cc2F)[C@@H](O)C1 ZINC001090535214 786777289 /nfs/dbraw/zinc/77/72/89/786777289.db2.gz SPACQKBXOBAWGF-OLZOCXBDSA-N 1 2 348.752 2.021 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc([C@H](C)OC)no1)C2 ZINC001111648505 786831227 /nfs/dbraw/zinc/83/12/27/786831227.db2.gz BHQWYGZTQHFHHT-DEYYWGMASA-N 1 2 348.447 2.214 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc([C@H](C)OC)no1)C2 ZINC001111648505 786831230 /nfs/dbraw/zinc/83/12/30/786831230.db2.gz BHQWYGZTQHFHHT-DEYYWGMASA-N 1 2 348.447 2.214 20 30 EEEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCC ZINC001109604484 805754953 /nfs/dbraw/zinc/75/49/53/805754953.db2.gz KYGXWEPRNKCIKI-SQNIBIBYSA-N 1 2 347.503 2.208 20 30 EEEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCC ZINC001109604484 805754958 /nfs/dbraw/zinc/75/49/58/805754958.db2.gz KYGXWEPRNKCIKI-SQNIBIBYSA-N 1 2 347.503 2.208 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(C)CCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001109606296 805759008 /nfs/dbraw/zinc/75/90/08/805759008.db2.gz XBCSETKZNMWFLJ-KRWDZBQOSA-N 1 2 334.468 2.109 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)cs2)[C@H](O)C1 ZINC001090610832 787291136 /nfs/dbraw/zinc/29/11/36/787291136.db2.gz VRRXSRTYZBBENP-GHMZBOCLSA-N 1 2 335.256 2.319 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)cs2)[C@H](O)C1 ZINC001090610832 787291142 /nfs/dbraw/zinc/29/11/42/787291142.db2.gz VRRXSRTYZBBENP-GHMZBOCLSA-N 1 2 335.256 2.319 20 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UWQTYXUTOAWKNC-QIIPPGSGSA-N 1 2 332.448 2.151 20 30 EEEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H](OC)c3ccccc3)C2)cc1 ZINC001030777194 792781716 /nfs/dbraw/zinc/78/17/16/792781716.db2.gz OJRFDPLECJFFLI-HXUWFJFHSA-N 1 2 334.419 2.470 20 30 EEEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](Cc2cnn(C)n2)CC3)CC1 ZINC000992152280 792943281 /nfs/dbraw/zinc/94/32/81/792943281.db2.gz MWYCKTCFGWOPOL-MJGOQNOKSA-N 1 2 343.475 2.175 20 30 EEEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](Cc2cnn(C)n2)CC3)CC1 ZINC000992152280 792943288 /nfs/dbraw/zinc/94/32/88/792943288.db2.gz MWYCKTCFGWOPOL-MJGOQNOKSA-N 1 2 343.475 2.175 20 30 EEEDLO C=C1CCC(C(=O)NCC2(NC(=O)CCc3c[nH]c[nH+]3)CCC2)CC1 ZINC001064393243 793017981 /nfs/dbraw/zinc/01/79/81/793017981.db2.gz MGMLTAOCMCMREP-UHFFFAOYSA-N 1 2 344.459 2.244 20 30 EEEDLO C=C1CCC(C(=O)NCC2(NC(=O)CCc3c[nH+]c[nH]3)CCC2)CC1 ZINC001064393243 793017983 /nfs/dbraw/zinc/01/79/83/793017983.db2.gz MGMLTAOCMCMREP-UHFFFAOYSA-N 1 2 344.459 2.244 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC1(NC(=O)CCn2cc[nH+]c2)CCC1 ZINC001064401588 793045726 /nfs/dbraw/zinc/04/57/26/793045726.db2.gz CMSNUUCFFWXLNM-QGZVFWFLSA-N 1 2 332.448 2.031 20 30 EEEDLO C=CCCC(=O)N1CC[C@H](C)[C@@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001089177363 793111111 /nfs/dbraw/zinc/11/11/11/793111111.db2.gz MANYLJYIJRVOLW-ZFWWWQNUSA-N 1 2 346.479 2.109 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC000999012635 793670586 /nfs/dbraw/zinc/67/05/86/793670586.db2.gz JSIMJJPGDLZPFG-UEABVUSTSA-N 1 2 344.459 2.111 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCC1CC(Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001092258201 793769518 /nfs/dbraw/zinc/76/95/18/793769518.db2.gz XPKGVPMNOMXLGQ-WLYUNCDWSA-N 1 2 346.479 2.155 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)C=C1CCCCC1)c1nccn12 ZINC001092352930 793825958 /nfs/dbraw/zinc/82/59/58/793825958.db2.gz UAKYZLNPJISZKU-QGZVFWFLSA-N 1 2 338.455 2.369 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)c3coc(COC)n3)CCC[C@@H]12 ZINC000992368821 793838678 /nfs/dbraw/zinc/83/86/78/793838678.db2.gz WWQXWSNMXTVZKF-CZUORRHYSA-N 1 2 339.823 2.300 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)c3coc(COC)n3)CCC[C@@H]12 ZINC000992368821 793838684 /nfs/dbraw/zinc/83/86/84/793838684.db2.gz WWQXWSNMXTVZKF-CZUORRHYSA-N 1 2 339.823 2.300 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)C1CCC1)c1nccn12 ZINC001092385690 793880136 /nfs/dbraw/zinc/88/01/36/793880136.db2.gz WJMGZNBGRUKICV-INIZCTEOSA-N 1 2 340.471 2.305 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)c1ccco1)c1nccn12 ZINC001092399676 793899694 /nfs/dbraw/zinc/89/96/94/793899694.db2.gz UQKAMBBSDWUAII-ZIAGYGMSSA-N 1 2 326.400 2.038 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H](CNc1[nH+]cnc2c1cnn2C)C1CC1 ZINC001109956793 806291619 /nfs/dbraw/zinc/29/16/19/806291619.db2.gz DHLAQJVXWLXQHM-CQSZACIVSA-N 1 2 342.447 2.272 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2oc(C(F)F)cc2C)[C@@H](O)C1 ZINC001090336020 794014450 /nfs/dbraw/zinc/01/44/50/794014450.db2.gz DIPWYGCZLRNMGR-MNOVXSKESA-N 1 2 348.777 2.443 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2oc(C(F)F)cc2C)[C@@H](O)C1 ZINC001090336020 794014458 /nfs/dbraw/zinc/01/44/58/794014458.db2.gz DIPWYGCZLRNMGR-MNOVXSKESA-N 1 2 348.777 2.443 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@@H](CNc2nc(N(C)C)nc(C)[nH+]2)[C@H](C)C1 ZINC001092662565 794210363 /nfs/dbraw/zinc/21/03/63/794210363.db2.gz TVKLEKGKSLAGCH-UKRRQHHQSA-N 1 2 346.479 2.109 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+](Cc2nncs2)C[C@H]1C ZINC001092677483 794224924 /nfs/dbraw/zinc/22/49/24/794224924.db2.gz GLLXXUABHAOTNE-ZIAGYGMSSA-N 1 2 345.472 2.024 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+](Cc2nncs2)C[C@H]1C ZINC001092677483 794224928 /nfs/dbraw/zinc/22/49/28/794224928.db2.gz GLLXXUABHAOTNE-ZIAGYGMSSA-N 1 2 345.472 2.024 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]21 ZINC001093259705 794894924 /nfs/dbraw/zinc/89/49/24/794894924.db2.gz YFZBGYPVKDDEBD-HWWDLCQESA-N 1 2 326.444 2.263 20 30 EEEDLO C[C@@H](C[C@H](C)Nc1ccc(C#N)nc1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001089307475 795157057 /nfs/dbraw/zinc/15/70/57/795157057.db2.gz ZDBDGJUOFSMNCC-STQMWFEESA-N 1 2 326.404 2.004 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC(N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001079791256 795198180 /nfs/dbraw/zinc/19/81/80/795198180.db2.gz AEJJQCJPRMIPSN-CQSZACIVSA-N 1 2 332.448 2.106 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3cc[nH]c3CC)CC2)C1 ZINC001093533000 795319244 /nfs/dbraw/zinc/31/92/44/795319244.db2.gz SVMJIKOAOQPHGD-UHFFFAOYSA-N 1 2 331.460 2.459 20 30 EEEDLO Cc1noc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)c1C ZINC001079925126 795374133 /nfs/dbraw/zinc/37/41/33/795374133.db2.gz PQPFJBQQZHMBNP-SJKOYZFVSA-N 1 2 338.411 2.413 20 30 EEEDLO Cc1noc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)c1C ZINC001079925126 795374138 /nfs/dbraw/zinc/37/41/38/795374138.db2.gz PQPFJBQQZHMBNP-SJKOYZFVSA-N 1 2 338.411 2.413 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3Cc4ccc(F)cc43)CC2)C1 ZINC001093565443 795375475 /nfs/dbraw/zinc/37/54/75/795375475.db2.gz RBWDEKAVUZYKFS-LJQANCHMSA-N 1 2 344.430 2.343 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](C)[C@@H]3CCCO3)CC2)C1 ZINC001093571425 795382269 /nfs/dbraw/zinc/38/22/69/795382269.db2.gz SMBYGSTYVYOLPP-QAPCUYQASA-N 1 2 336.476 2.069 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cc(C4CC4)no3)CC2)C1 ZINC001093578596 795388687 /nfs/dbraw/zinc/38/86/87/795388687.db2.gz CVGLYKNABVNKSF-UHFFFAOYSA-N 1 2 331.416 2.043 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H](C)n3cccc3)CC2)C1 ZINC001093593919 795407407 /nfs/dbraw/zinc/40/74/07/795407407.db2.gz PHRLJIAQATWMIX-MRXNPFEDSA-N 1 2 331.460 2.317 20 30 EEEDLO C#CCCCCC(=O)NCCNc1[nH+]c(C)nc(-n2cccn2)c1C ZINC001093556801 795411532 /nfs/dbraw/zinc/41/15/32/795411532.db2.gz UMJSOCCTNQRCMG-UHFFFAOYSA-N 1 2 340.431 2.001 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001080011951 795479491 /nfs/dbraw/zinc/47/94/91/795479491.db2.gz MZIXQYPNSBZNJG-IUODEOHRSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001080011951 795479497 /nfs/dbraw/zinc/47/94/97/795479497.db2.gz MZIXQYPNSBZNJG-IUODEOHRSA-N 1 2 345.834 2.070 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NCCNc3ccc(C#N)c(C)n3)ccn12 ZINC001093888104 795766508 /nfs/dbraw/zinc/76/65/08/795766508.db2.gz NESRLIACINTTEC-UHFFFAOYSA-N 1 2 334.383 2.060 20 30 EEEDLO Cc1nsc(NCCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)c1C#N ZINC001093936054 795830042 /nfs/dbraw/zinc/83/00/42/795830042.db2.gz YJFZGSTWZNWEBS-CQSZACIVSA-N 1 2 346.460 2.335 20 30 EEEDLO N#Cc1c(Cl)nsc1NCCNC(=O)c1cccc2[nH+]ccn21 ZINC001093986361 795837344 /nfs/dbraw/zinc/83/73/44/795837344.db2.gz KNAHZFGMPYWLGB-UHFFFAOYSA-N 1 2 346.803 2.158 20 30 EEEDLO Cc1nc(NCC[C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)ccc1C#N ZINC001106593324 795906804 /nfs/dbraw/zinc/90/68/04/795906804.db2.gz OMDYHAXAQDUCMV-KBPBESRZSA-N 1 2 340.431 2.416 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)cs3)C[C@H]2C)c1 ZINC001080408461 795981639 /nfs/dbraw/zinc/98/16/39/795981639.db2.gz HSPPWLJCVKMKGF-MLGOLLRUSA-N 1 2 340.452 2.078 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)cs3)C[C@H]2C)c1 ZINC001080408461 795981645 /nfs/dbraw/zinc/98/16/45/795981645.db2.gz HSPPWLJCVKMKGF-MLGOLLRUSA-N 1 2 340.452 2.078 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(CC)C1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001080467262 796040283 /nfs/dbraw/zinc/04/02/83/796040283.db2.gz PEUNBCHSKSELEN-KXBFYZLASA-N 1 2 346.475 2.496 20 30 EEEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cl)s1)C2 ZINC001110062157 806473990 /nfs/dbraw/zinc/47/39/90/806473990.db2.gz HQUIPTQSKUTSMD-AGIUHOORSA-N 1 2 338.860 2.386 20 30 EEEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cl)s1)C2 ZINC001110062157 806473994 /nfs/dbraw/zinc/47/39/94/806473994.db2.gz HQUIPTQSKUTSMD-AGIUHOORSA-N 1 2 338.860 2.386 20 30 EEEDLO C#Cc1ccc(C(=O)NCc2cn(C3C[NH+](CC=C(C)C)C3)nn2)cc1 ZINC001094309818 796077397 /nfs/dbraw/zinc/07/73/97/796077397.db2.gz RLMXZBWZQCHGBE-UHFFFAOYSA-N 1 2 349.438 2.012 20 30 EEEDLO C=C1CCC(C(=O)NCc2cn(C3C[NH+](CC=C(C)C)C3)nn2)CC1 ZINC001094313737 796079477 /nfs/dbraw/zinc/07/94/77/796079477.db2.gz AMZSBCDMYIAFJJ-UHFFFAOYSA-N 1 2 343.475 2.464 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C3C[C@H](C)C[C@@H](C)C3)nn2)C1 ZINC001094340831 796116064 /nfs/dbraw/zinc/11/60/64/796116064.db2.gz UHMLJPWYOUVMBP-HUUCEWRRSA-N 1 2 345.491 2.399 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3(CC)CCCCC3)C2)nn1 ZINC001098789453 796137746 /nfs/dbraw/zinc/13/77/46/796137746.db2.gz CPXWSKAPWAMORR-QGZVFWFLSA-N 1 2 343.475 2.135 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC=C(Cl)Cl)C[C@H]2C)nc1 ZINC001080809159 796399952 /nfs/dbraw/zinc/39/99/52/796399952.db2.gz DPXSAHMYMRTYBK-BXUZGUMPSA-N 1 2 338.238 2.432 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC=C(Cl)Cl)C[C@H]2C)nc1 ZINC001080809159 796399956 /nfs/dbraw/zinc/39/99/56/796399956.db2.gz DPXSAHMYMRTYBK-BXUZGUMPSA-N 1 2 338.238 2.432 20 30 EEEDLO C[C@H](C[C@H](C)NC(=O)CCCn1cc[nH+]c1)Nc1ccc(C#N)nc1 ZINC001089347834 796402427 /nfs/dbraw/zinc/40/24/27/796402427.db2.gz ZGGPLJGBJYKQIN-CABCVRRESA-N 1 2 340.431 2.325 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(CC)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106744019 796430933 /nfs/dbraw/zinc/43/09/33/796430933.db2.gz BOIDRQFKQPDIHE-GOSISDBHSA-N 1 2 332.448 2.250 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCCNc1cccc(F)c1C#N ZINC001094792152 796583438 /nfs/dbraw/zinc/58/34/38/796583438.db2.gz JBISQMSSRQKNKQ-CHWSQXEVSA-N 1 2 341.390 2.153 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(F)c3ccccc3c2)[C@H](OC)C1 ZINC001081772921 796882453 /nfs/dbraw/zinc/88/24/53/796882453.db2.gz HDKZBLNJRDGTHK-QZTJIDSGSA-N 1 2 326.371 2.041 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(F)c3ccccc3c2)[C@H](OC)C1 ZINC001081772921 796882457 /nfs/dbraw/zinc/88/24/57/796882457.db2.gz HDKZBLNJRDGTHK-QZTJIDSGSA-N 1 2 326.371 2.041 20 30 EEEDLO COC(=O)c1cc(C#N)ccc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212671246 797037099 /nfs/dbraw/zinc/03/70/99/797037099.db2.gz IYUXROKWYHRBBN-UHFFFAOYSA-N 1 2 337.379 2.265 20 30 EEEDLO N#Cc1ccc(NCCCCCCNC(=O)Cc2[nH]cc[nH+]2)nc1 ZINC001094967084 797137135 /nfs/dbraw/zinc/13/71/35/797137135.db2.gz ATDPYKXYORUUPG-UHFFFAOYSA-N 1 2 326.404 2.008 20 30 EEEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCc2ncsc2C1 ZINC001173136566 797242570 /nfs/dbraw/zinc/24/25/70/797242570.db2.gz RABDDYQHTWSWPY-HOCLYGCPSA-N 1 2 341.436 2.246 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001082186664 797303605 /nfs/dbraw/zinc/30/36/05/797303605.db2.gz DCQHZGYJLFFRGE-SJORKVTESA-N 1 2 346.475 2.373 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N1CC[C@@H](N(C)c2cc[nH+]c(C)n2)C1)OCC ZINC001095138646 797386826 /nfs/dbraw/zinc/38/68/26/797386826.db2.gz IIOSOUMYNJLWPE-HZPDHXFCSA-N 1 2 332.448 2.193 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](Cc2cccc(COC)c2)C1 ZINC001031313097 797560125 /nfs/dbraw/zinc/56/01/25/797560125.db2.gz ACDZSXULQZYKMC-UHFFFAOYSA-N 1 2 348.446 2.357 20 30 EEEDLO Cc1nc(C#N)cnc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174431736 797759202 /nfs/dbraw/zinc/75/92/02/797759202.db2.gz HDGJIYIWQXWIJI-UHFFFAOYSA-N 1 2 339.399 2.111 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(C(F)F)c3)C[C@@H]21 ZINC001083026527 797818593 /nfs/dbraw/zinc/81/85/93/797818593.db2.gz DEFKPXOQIVVENP-UHOFOFEASA-N 1 2 349.381 2.195 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(C(F)F)c3)C[C@@H]21 ZINC001083026527 797818602 /nfs/dbraw/zinc/81/86/02/797818602.db2.gz DEFKPXOQIVVENP-UHOFOFEASA-N 1 2 349.381 2.195 20 30 EEEDLO CS[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084196519 798047288 /nfs/dbraw/zinc/04/72/88/798047288.db2.gz MAWZEUXEMGDVDY-DXCKQFNASA-N 1 2 347.459 2.482 20 30 EEEDLO CS[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084196519 798047294 /nfs/dbraw/zinc/04/72/94/798047294.db2.gz MAWZEUXEMGDVDY-DXCKQFNASA-N 1 2 347.459 2.482 20 30 EEEDLO CC/C(C)=C/C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001212221322 798061228 /nfs/dbraw/zinc/06/12/28/798061228.db2.gz RCIMKMGPTNWNRW-HCEMZMHWSA-N 1 2 345.418 2.369 20 30 EEEDLO CC/C(C)=C/C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001212221322 798061236 /nfs/dbraw/zinc/06/12/36/798061236.db2.gz RCIMKMGPTNWNRW-HCEMZMHWSA-N 1 2 345.418 2.369 20 30 EEEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)co1 ZINC001084297198 798109194 /nfs/dbraw/zinc/10/91/94/798109194.db2.gz RPUOJIKQGDUVMH-IEBWSBKVSA-N 1 2 335.407 2.181 20 30 EEEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)co1 ZINC001084297198 798109199 /nfs/dbraw/zinc/10/91/99/798109199.db2.gz RPUOJIKQGDUVMH-IEBWSBKVSA-N 1 2 335.407 2.181 20 30 EEEDLO C[C@H](C[C@H](C)Nc1ncccc1C#N)NC(=O)CCc1c[nH+]cn1C ZINC001089374748 798234305 /nfs/dbraw/zinc/23/43/05/798234305.db2.gz KYVSDIHRNDGNLK-KGLIPLIRSA-N 1 2 340.431 2.015 20 30 EEEDLO Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)s1 ZINC001002550634 798244724 /nfs/dbraw/zinc/24/47/24/798244724.db2.gz GPBMNTWDAUQKQM-SNVBAGLBSA-N 1 2 344.444 2.002 20 30 EEEDLO C[C@H](C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)Nc1cccc(F)c1C#N ZINC001089381475 798276380 /nfs/dbraw/zinc/27/63/80/798276380.db2.gz SHOKGHPEFTXHDK-NEPJUHHUSA-N 1 2 329.379 2.358 20 30 EEEDLO C=CCCC[N@H+]1CCn2ncc(CNC(=O)c3ccccc3O)c2C1 ZINC001128202901 798309779 /nfs/dbraw/zinc/30/97/79/798309779.db2.gz OHQYFINUPDMDOL-UHFFFAOYSA-N 1 2 340.427 2.301 20 30 EEEDLO O=C(N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21)C1(CF)CC1 ZINC001084650681 798340424 /nfs/dbraw/zinc/34/04/24/798340424.db2.gz ICYHFAHCCHPOGR-SJLPKXTDSA-N 1 2 344.405 2.460 20 30 EEEDLO O=C(N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21)C1(CF)CC1 ZINC001084650681 798340427 /nfs/dbraw/zinc/34/04/27/798340427.db2.gz ICYHFAHCCHPOGR-SJLPKXTDSA-N 1 2 344.405 2.460 20 30 EEEDLO CCc1oncc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084693926 798376002 /nfs/dbraw/zinc/37/60/02/798376002.db2.gz DUZIOLIKAORNRT-IEBWSBKVSA-N 1 2 349.434 2.435 20 30 EEEDLO CCc1oncc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084693926 798376008 /nfs/dbraw/zinc/37/60/08/798376008.db2.gz DUZIOLIKAORNRT-IEBWSBKVSA-N 1 2 349.434 2.435 20 30 EEEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)OC)c2C1 ZINC001128245801 798498054 /nfs/dbraw/zinc/49/80/54/798498054.db2.gz VMQQKCKMFZHFCE-HNNXBMFYSA-N 1 2 336.480 2.320 20 30 EEEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@H](C)OC)c2C1 ZINC001128245801 798498056 /nfs/dbraw/zinc/49/80/56/798498056.db2.gz VMQQKCKMFZHFCE-HNNXBMFYSA-N 1 2 336.480 2.320 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(P(C)(C)=O)cc3)[C@@H]2C1 ZINC001084846318 798501368 /nfs/dbraw/zinc/50/13/68/798501368.db2.gz BNTRULJWRAWFPZ-SJLPKXTDSA-N 1 2 344.395 2.104 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(P(C)(C)=O)cc3)[C@@H]2C1 ZINC001084846318 798501370 /nfs/dbraw/zinc/50/13/70/798501370.db2.gz BNTRULJWRAWFPZ-SJLPKXTDSA-N 1 2 344.395 2.104 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C)c3)C[C@@H]21 ZINC001176900155 798642212 /nfs/dbraw/zinc/64/22/12/798642212.db2.gz HHJZEAXIFYELRY-OALUTQOASA-N 1 2 344.455 2.113 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C)c3)C[C@@H]21 ZINC001176900155 798642218 /nfs/dbraw/zinc/64/22/18/798642218.db2.gz HHJZEAXIFYELRY-OALUTQOASA-N 1 2 344.455 2.113 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CCC(F)(F)F)c2C1 ZINC001128283794 798661544 /nfs/dbraw/zinc/66/15/44/798661544.db2.gz FUEDGJTVZQZSRK-UHFFFAOYSA-N 1 2 330.354 2.234 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CCC(F)(F)F)c2C1 ZINC001128283794 798661547 /nfs/dbraw/zinc/66/15/47/798661547.db2.gz FUEDGJTVZQZSRK-UHFFFAOYSA-N 1 2 330.354 2.234 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001177005705 798691797 /nfs/dbraw/zinc/69/17/97/798691797.db2.gz JHULOXSJZQQGEE-RTBURBONSA-N 1 2 326.440 2.292 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001177005705 798691801 /nfs/dbraw/zinc/69/18/01/798691801.db2.gz JHULOXSJZQQGEE-RTBURBONSA-N 1 2 326.440 2.292 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)C3(CC)CCC3)C[C@H]21 ZINC001177061433 798721661 /nfs/dbraw/zinc/72/16/61/798721661.db2.gz LPSPPOSNBIVVCR-SJORKVTESA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3(CC)CCC3)C[C@H]21 ZINC001177061433 798721663 /nfs/dbraw/zinc/72/16/63/798721663.db2.gz LPSPPOSNBIVVCR-SJORKVTESA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3(CCC)CC3)C[C@H]21 ZINC001177095736 798747430 /nfs/dbraw/zinc/74/74/30/798747430.db2.gz SFIURTNREXINCV-IAGOWNOFSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(CCC)CC3)C[C@H]21 ZINC001177095736 798747433 /nfs/dbraw/zinc/74/74/33/798747433.db2.gz SFIURTNREXINCV-IAGOWNOFSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C3(CC)CC3)CC2)C1 ZINC001065706388 799355572 /nfs/dbraw/zinc/35/55/72/799355572.db2.gz KKEFCVONTXXRIR-KRWDZBQOSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C(C)(C)C3CC3)CC2)C1 ZINC001065695647 799375827 /nfs/dbraw/zinc/37/58/27/799375827.db2.gz YEVSFVXWEGPHEO-KRWDZBQOSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C(C)CCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC3CCC3)C2)CC1 ZINC001065698977 799384029 /nfs/dbraw/zinc/38/40/29/799384029.db2.gz JCMYYQWYSMWIQN-SFHVURJKSA-N 1 2 347.503 2.278 20 30 EEEDLO C=C(C)CCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)/C(C)=C\C)C2)CC1 ZINC001065699457 799386040 /nfs/dbraw/zinc/38/60/40/799386040.db2.gz MIQVKNYJADZZMP-JVMBSBNBSA-N 1 2 333.476 2.054 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC3CCC3)CC2)C1 ZINC001065710689 799406695 /nfs/dbraw/zinc/40/66/95/799406695.db2.gz CHCFKTFDENLARB-GOSISDBHSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@](C)(C=C)CC)C2)CC1 ZINC001065713688 799415615 /nfs/dbraw/zinc/41/56/15/799415615.db2.gz XFWVVHNIFCFYKO-XLIONFOSSA-N 1 2 347.503 2.300 20 30 EEEDLO CC(C)c1nnc(C[NH2+][C@H]2CCN(C(=O)C#CC(C)(C)C)[C@H]2C)o1 ZINC001178672098 799571111 /nfs/dbraw/zinc/57/11/11/799571111.db2.gz ZLLRYLTWIIEFHJ-KBPBESRZSA-N 1 2 332.448 2.322 20 30 EEEDLO CC#CC[NH2+]CCCCCCNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001179203578 799816752 /nfs/dbraw/zinc/81/67/52/799816752.db2.gz ITCXKRTUZZVQRF-UHFFFAOYSA-N 1 2 339.443 2.375 20 30 EEEDLO COc1ccc(C[NH2+]Cc2cn(Cc3ccccc3)nn2)cc1C#N ZINC001179447590 799923051 /nfs/dbraw/zinc/92/30/51/799923051.db2.gz LBXICAXXVJAJGT-UHFFFAOYSA-N 1 2 333.395 2.496 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(COC)no2)[C@@H]1C ZINC001179464240 799937194 /nfs/dbraw/zinc/93/71/94/799937194.db2.gz XNHYOIVZSAXEME-RDBSUJKOSA-N 1 2 336.436 2.212 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001066071057 799965422 /nfs/dbraw/zinc/96/54/22/799965422.db2.gz YGBRJWLBBJDEIR-MRXNPFEDSA-N 1 2 344.459 2.033 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001066071057 799965427 /nfs/dbraw/zinc/96/54/27/799965427.db2.gz YGBRJWLBBJDEIR-MRXNPFEDSA-N 1 2 344.459 2.033 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001066217384 800180089 /nfs/dbraw/zinc/18/00/89/800180089.db2.gz LLTHTTOSISIJFF-CABCVRRESA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001066217384 800180094 /nfs/dbraw/zinc/18/00/94/800180094.db2.gz LLTHTTOSISIJFF-CABCVRRESA-N 1 2 332.448 2.052 20 30 EEEDLO CN(C(=O)c1ccccn1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032862955 800186325 /nfs/dbraw/zinc/18/63/25/800186325.db2.gz UPIBGSAEKUMRMA-INIZCTEOSA-N 1 2 338.386 2.439 20 30 EEEDLO CN(C(=O)c1ccccn1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032862955 800186329 /nfs/dbraw/zinc/18/63/29/800186329.db2.gz UPIBGSAEKUMRMA-INIZCTEOSA-N 1 2 338.386 2.439 20 30 EEEDLO C=CCC1(C(=O)NCc2cnn3c2C[N@H+](C[C@@H](C)OC)CC3)CCC1 ZINC001128483918 800234402 /nfs/dbraw/zinc/23/44/02/800234402.db2.gz BPHIDUSFWJMIJA-OAHLLOKOSA-N 1 2 346.475 2.096 20 30 EEEDLO C=CCC1(C(=O)NCc2cnn3c2C[N@@H+](C[C@@H](C)OC)CC3)CCC1 ZINC001128483918 800234406 /nfs/dbraw/zinc/23/44/06/800234406.db2.gz BPHIDUSFWJMIJA-OAHLLOKOSA-N 1 2 346.475 2.096 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2scc3c2OCCO3)CC1 ZINC001003896524 800462085 /nfs/dbraw/zinc/46/20/85/800462085.db2.gz YBNBBQSVAJJAEQ-UHFFFAOYSA-N 1 2 342.848 2.466 20 30 EEEDLO C=C1CC(C)(C(=O)NCc2cnn3c2C[N@H+](CC[C@@H](C)F)CC3)C1 ZINC001128488846 800627782 /nfs/dbraw/zinc/62/77/82/800627782.db2.gz HLDAZDJGLZKUFD-CQSZACIVSA-N 1 2 334.439 2.419 20 30 EEEDLO C=C1CC(C)(C(=O)NCc2cnn3c2C[N@@H+](CC[C@@H](C)F)CC3)C1 ZINC001128488846 800627787 /nfs/dbraw/zinc/62/77/87/800627787.db2.gz HLDAZDJGLZKUFD-CQSZACIVSA-N 1 2 334.439 2.419 20 30 EEEDLO Cc1ncoc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032980640 800650216 /nfs/dbraw/zinc/65/02/16/800650216.db2.gz YJLQCPOIYXMEFU-OAHLLOKOSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1ncoc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032980640 800650222 /nfs/dbraw/zinc/65/02/22/800650222.db2.gz YJLQCPOIYXMEFU-OAHLLOKOSA-N 1 2 342.374 2.340 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cncs1 ZINC001085601352 800859891 /nfs/dbraw/zinc/85/98/91/800859891.db2.gz UVUKWOIKXVKEQG-BMFZPTHFSA-N 1 2 335.473 2.157 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cncs1 ZINC001085601352 800859897 /nfs/dbraw/zinc/85/98/97/800859897.db2.gz UVUKWOIKXVKEQG-BMFZPTHFSA-N 1 2 335.473 2.157 20 30 EEEDLO Cc1nc(NCC[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001066286813 800925106 /nfs/dbraw/zinc/92/51/06/800925106.db2.gz YIOGRRWQFQGGML-ZFWWWQNUSA-N 1 2 341.459 2.474 20 30 EEEDLO Cc1ncn(C)c1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085655106 800976444 /nfs/dbraw/zinc/97/64/44/800976444.db2.gz HRXBDZKUGLJHOR-ZDUSSCGKSA-N 1 2 343.456 2.008 20 30 EEEDLO Cc1ncn(C)c1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085655106 800976452 /nfs/dbraw/zinc/97/64/52/800976452.db2.gz HRXBDZKUGLJHOR-ZDUSSCGKSA-N 1 2 343.456 2.008 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085733516 801147324 /nfs/dbraw/zinc/14/73/24/801147324.db2.gz HDQHPFNDBGRHFW-ZCNNSNEGSA-N 1 2 340.467 2.386 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085733516 801147326 /nfs/dbraw/zinc/14/73/26/801147326.db2.gz HDQHPFNDBGRHFW-ZCNNSNEGSA-N 1 2 340.467 2.386 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCC1(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001110305964 801188305 /nfs/dbraw/zinc/18/83/05/801188305.db2.gz WONMUBNWKMCTAP-LBPRGKRZSA-N 1 2 328.420 2.026 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2cc(C)ncn2)cc1 ZINC001085757395 801199062 /nfs/dbraw/zinc/19/90/62/801199062.db2.gz HAMPFOODHCRZRF-LJQANCHMSA-N 1 2 334.423 2.113 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2cc(C)ncn2)cc1 ZINC001085757395 801199067 /nfs/dbraw/zinc/19/90/67/801199067.db2.gz HAMPFOODHCRZRF-LJQANCHMSA-N 1 2 334.423 2.113 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2ccccc2)c1 ZINC001085809993 801331747 /nfs/dbraw/zinc/33/17/47/801331747.db2.gz SAQHXUQKGAWAQR-OAQYLSRUSA-N 1 2 343.430 2.261 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2ccccc2)c1 ZINC001085809993 801331752 /nfs/dbraw/zinc/33/17/52/801331752.db2.gz SAQHXUQKGAWAQR-OAQYLSRUSA-N 1 2 343.430 2.261 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085825171 801365166 /nfs/dbraw/zinc/36/51/66/801365166.db2.gz CTKFSDIYNHUAQO-WWGRRREGSA-N 1 2 333.457 2.077 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085825171 801365174 /nfs/dbraw/zinc/36/51/74/801365174.db2.gz CTKFSDIYNHUAQO-WWGRRREGSA-N 1 2 333.457 2.077 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001182841426 801370638 /nfs/dbraw/zinc/37/06/38/801370638.db2.gz LBTWKCIQSMBBPT-OAHLLOKOSA-N 1 2 330.432 2.406 20 30 EEEDLO CCN(C(=O)[C@@H]1CCCCN1Cc1ccccc1C#N)C1C[NH+](C)C1 ZINC001183834538 801764317 /nfs/dbraw/zinc/76/43/17/801764317.db2.gz GVABGBVFIMMKPC-IBGZPJMESA-N 1 2 340.471 2.075 20 30 EEEDLO C[C@@H]1COCC[C@@H]1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183839997 801767788 /nfs/dbraw/zinc/76/77/88/801767788.db2.gz BNVVYLHEXKJJCW-AYOQOUSVSA-N 1 2 341.455 2.454 20 30 EEEDLO C[C@@H]1COCC[C@@H]1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183839997 801767796 /nfs/dbraw/zinc/76/77/96/801767796.db2.gz BNVVYLHEXKJJCW-AYOQOUSVSA-N 1 2 341.455 2.454 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2c(F)cncc2F)CC1 ZINC001004447949 802068077 /nfs/dbraw/zinc/06/80/77/802068077.db2.gz UOHIOTMPKIQZCA-OAHLLOKOSA-N 1 2 334.370 2.200 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2c(F)cncc2F)CC1 ZINC001004447949 802068082 /nfs/dbraw/zinc/06/80/82/802068082.db2.gz UOHIOTMPKIQZCA-OAHLLOKOSA-N 1 2 334.370 2.200 20 30 EEEDLO Cn1ncc(C2CC2)c1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004459454 802126399 /nfs/dbraw/zinc/12/63/99/802126399.db2.gz RBHTXRCLTJBWFH-QGZVFWFLSA-N 1 2 341.459 2.138 20 30 EEEDLO Cn1ncc(C2CC2)c1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004459454 802126401 /nfs/dbraw/zinc/12/64/01/802126401.db2.gz RBHTXRCLTJBWFH-QGZVFWFLSA-N 1 2 341.459 2.138 20 30 EEEDLO Cc1ncccc1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004548068 802348930 /nfs/dbraw/zinc/34/89/30/802348930.db2.gz PLKKWIDGVVLCSQ-GOSISDBHSA-N 1 2 326.444 2.159 20 30 EEEDLO Cc1ncccc1CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004548068 802348940 /nfs/dbraw/zinc/34/89/40/802348940.db2.gz PLKKWIDGVVLCSQ-GOSISDBHSA-N 1 2 326.444 2.159 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnn(CC3CC3)c2)CC1 ZINC001004595440 802447913 /nfs/dbraw/zinc/44/79/13/802447913.db2.gz HMDXKBJIUFQQBA-GOSISDBHSA-N 1 2 341.459 2.133 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnn(CC3CC3)c2)CC1 ZINC001004595440 802447916 /nfs/dbraw/zinc/44/79/16/802447916.db2.gz HMDXKBJIUFQQBA-GOSISDBHSA-N 1 2 341.459 2.133 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001108256628 802559816 /nfs/dbraw/zinc/55/98/16/802559816.db2.gz ZZENKFZTCLMYHI-IBGZPJMESA-N 1 2 332.444 2.400 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001108256628 802559818 /nfs/dbraw/zinc/55/98/18/802559818.db2.gz ZZENKFZTCLMYHI-IBGZPJMESA-N 1 2 332.444 2.400 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001108272760 802929908 /nfs/dbraw/zinc/92/99/08/802929908.db2.gz PIHHMIXOGHSPPO-NLWGTHIKSA-N 1 2 328.456 2.492 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001108272760 802929914 /nfs/dbraw/zinc/92/99/14/802929914.db2.gz PIHHMIXOGHSPPO-NLWGTHIKSA-N 1 2 328.456 2.492 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)C1 ZINC001086431588 802954838 /nfs/dbraw/zinc/95/48/38/802954838.db2.gz VILCQPXDVVBFGI-XNIJJKJLSA-N 1 2 336.867 2.313 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cn3ccccc3n2)C1 ZINC001033199272 803063957 /nfs/dbraw/zinc/06/39/57/803063957.db2.gz ZTWRSUOGCIEYPU-OAHLLOKOSA-N 1 2 332.835 2.162 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cn3ccccc3n2)C1 ZINC001033199272 803063965 /nfs/dbraw/zinc/06/39/65/803063965.db2.gz ZTWRSUOGCIEYPU-OAHLLOKOSA-N 1 2 332.835 2.162 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc3scnc3c2)C1 ZINC001108319455 803272335 /nfs/dbraw/zinc/27/23/35/803272335.db2.gz WOZTWTGITFIVMU-QGZVFWFLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc3scnc3c2)C1 ZINC001108319455 803272336 /nfs/dbraw/zinc/27/23/36/803272336.db2.gz WOZTWTGITFIVMU-QGZVFWFLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001108333052 803306324 /nfs/dbraw/zinc/30/63/24/803306324.db2.gz LHDDLQQMIBSURP-GOSISDBHSA-N 1 2 334.464 2.238 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001108333052 803306329 /nfs/dbraw/zinc/30/63/29/803306329.db2.gz LHDDLQQMIBSURP-GOSISDBHSA-N 1 2 334.464 2.238 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(F)c3occc32)C1 ZINC001108407848 803494750 /nfs/dbraw/zinc/49/47/50/803494750.db2.gz DAYOIAGFXRFKQV-LJQANCHMSA-N 1 2 344.386 2.416 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(F)c3occc32)C1 ZINC001108407848 803494754 /nfs/dbraw/zinc/49/47/54/803494754.db2.gz DAYOIAGFXRFKQV-LJQANCHMSA-N 1 2 344.386 2.416 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)Cc2ccc(OC)cc2)C1 ZINC001108414899 803522095 /nfs/dbraw/zinc/52/20/95/803522095.db2.gz WTIWNZABWUUDCB-OXJNMPFZSA-N 1 2 346.471 2.267 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)Cc2ccc(OC)cc2)C1 ZINC001108414899 803522099 /nfs/dbraw/zinc/52/20/99/803522099.db2.gz WTIWNZABWUUDCB-OXJNMPFZSA-N 1 2 346.471 2.267 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@H](CCC)C(C)C)CC2=O)C1 ZINC001108575106 804150723 /nfs/dbraw/zinc/15/07/23/804150723.db2.gz GWLNMHARFLAULT-DOTOQJQBSA-N 1 2 335.492 2.036 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H](CC)CCCCC)CC2=O)C1 ZINC001108591794 804262906 /nfs/dbraw/zinc/26/29/06/804262906.db2.gz FLGMEDBYMXXXAJ-HZPDHXFCSA-N 1 2 335.492 2.180 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(F)cccc1F ZINC001109073123 804909958 /nfs/dbraw/zinc/90/99/58/804909958.db2.gz ZLZJMFYSQZOVQP-DQYPLSBCSA-N 1 2 336.382 2.389 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(F)cccc1F ZINC001109073123 804909964 /nfs/dbraw/zinc/90/99/64/804909964.db2.gz ZLZJMFYSQZOVQP-DQYPLSBCSA-N 1 2 336.382 2.389 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109080199 804921121 /nfs/dbraw/zinc/92/11/21/804921121.db2.gz NZZPJXOOKIESHT-ISGYEWALSA-N 1 2 326.375 2.079 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109080199 804921122 /nfs/dbraw/zinc/92/11/22/804921122.db2.gz NZZPJXOOKIESHT-ISGYEWALSA-N 1 2 326.375 2.079 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129382174 804977337 /nfs/dbraw/zinc/97/73/37/804977337.db2.gz WLQYXJPVGLXEEI-KURKYZTESA-N 1 2 345.491 2.249 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129382174 804977342 /nfs/dbraw/zinc/97/73/42/804977342.db2.gz WLQYXJPVGLXEEI-KURKYZTESA-N 1 2 345.491 2.249 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccns1 ZINC001109122080 804995491 /nfs/dbraw/zinc/99/54/91/804995491.db2.gz VEUZQOYUENFPGU-KBMXLJTQSA-N 1 2 335.473 2.347 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccns1 ZINC001109122080 804995498 /nfs/dbraw/zinc/99/54/98/804995498.db2.gz VEUZQOYUENFPGU-KBMXLJTQSA-N 1 2 335.473 2.347 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC001112801029 807295751 /nfs/dbraw/zinc/29/57/51/807295751.db2.gz CBTJYERYAHXPRP-LJQANCHMSA-N 1 2 328.412 2.404 20 30 EEEDLO Cc1cc(C)cc(OCC[NH+]2CCN(C(=O)C#CC(C)C)CC2)c1 ZINC001112828213 807366457 /nfs/dbraw/zinc/36/64/57/807366457.db2.gz MBIMPWNARULDRT-UHFFFAOYSA-N 1 2 328.456 2.486 20 30 EEEDLO C=C(C)[C@H](CC(=O)N1CC[NH+](Cc2cnccc2C)CC1)OCC ZINC001112907132 807578564 /nfs/dbraw/zinc/57/85/64/807578564.db2.gz ZWVPSPVWODMFIZ-SFHVURJKSA-N 1 2 331.460 2.406 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2conc2C2CCCC2)CC1 ZINC001112951311 807697494 /nfs/dbraw/zinc/69/74/94/807697494.db2.gz NGDRJYCYUCSTKL-UHFFFAOYSA-N 1 2 333.432 2.293 20 30 EEEDLO C[C@@H](Nc1ncc(C#N)cc1F)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001113077631 808059355 /nfs/dbraw/zinc/05/93/55/808059355.db2.gz QIHJAWHVAYKXGK-QWHCGFSZSA-N 1 2 344.394 2.074 20 30 EEEDLO NC(=[NH+]OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000789590765 808076871 /nfs/dbraw/zinc/07/68/71/808076871.db2.gz WLSDEIPJJMRFAR-UHFFFAOYSA-N 1 2 334.263 2.479 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC001113243819 808551732 /nfs/dbraw/zinc/55/17/32/808551732.db2.gz OCZSGNRJDUMPDD-CQSZACIVSA-N 1 2 328.416 2.469 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H](C)[C@@H](C)Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001113286622 808609438 /nfs/dbraw/zinc/60/94/38/808609438.db2.gz NFBZMQMNJJXISX-ZIAGYGMSSA-N 1 2 343.475 2.126 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H](C)[C@@H](C)Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001113286622 808609442 /nfs/dbraw/zinc/60/94/42/808609442.db2.gz NFBZMQMNJJXISX-ZIAGYGMSSA-N 1 2 343.475 2.126 20 30 EEEDLO Cc1cc(C#N)nc(N[C@@H](C)[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)n1 ZINC001113350277 808761882 /nfs/dbraw/zinc/76/18/82/808761882.db2.gz QSXVVCSNRZWIHK-NEPJUHHUSA-N 1 2 349.398 2.152 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)[C@@H](C)Nc2ncccc2C#N)c[nH+]1 ZINC001113361482 808807311 /nfs/dbraw/zinc/80/73/11/808807311.db2.gz IKNJFLMBRPRCJA-KGLIPLIRSA-N 1 2 340.431 2.199 20 30 EEEDLO C=CCC1(C(=O)N2CC[NH+](CCc3ccns3)CC2)CCOCC1 ZINC001113593520 809312489 /nfs/dbraw/zinc/31/24/89/809312489.db2.gz GHRZBVUGKUQMSZ-UHFFFAOYSA-N 1 2 349.500 2.203 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113639798 809423244 /nfs/dbraw/zinc/42/32/44/809423244.db2.gz KWDSTRFUEPPTJB-HUUCEWRRSA-N 1 2 334.464 2.440 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H](C)N(C)c2cc(C)[nH+]c(C3CC3)n2)cn1 ZINC001113663886 809506696 /nfs/dbraw/zinc/50/66/96/809506696.db2.gz RZALXUBNSAYADT-CQSZACIVSA-N 1 2 349.438 2.293 20 30 EEEDLO C#CCC1(C(=O)N2CC[NH+](CCn3cccn3)CC2)CCCCC1 ZINC001113703861 809586064 /nfs/dbraw/zinc/58/60/64/809586064.db2.gz QBVCSYALMPLBAO-UHFFFAOYSA-N 1 2 328.460 2.001 20 30 EEEDLO CCOC(=O)[C@H](C#N)Nc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC001170368597 809909596 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/nfs/dbraw/zinc/00/74/74/464007474.db2.gz QFULFOUBPXTKBG-KDOFPFPSSA-N 1 2 348.422 2.118 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278889900 464007478 /nfs/dbraw/zinc/00/74/78/464007478.db2.gz QFULFOUBPXTKBG-KDOFPFPSSA-N 1 2 348.422 2.118 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)CCCCC1 ZINC000186700898 464052998 /nfs/dbraw/zinc/05/29/98/464052998.db2.gz JOMWZFMSJSIXNG-HXUWFJFHSA-N 1 2 339.439 2.460 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CC[C@]3(C2)OCc2ccccc23)CCCCC1 ZINC000186700898 464053006 /nfs/dbraw/zinc/05/30/06/464053006.db2.gz JOMWZFMSJSIXNG-HXUWFJFHSA-N 1 2 339.439 2.460 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@@H](C)CN2CCOCC2)c1C ZINC000279656111 464120722 /nfs/dbraw/zinc/12/07/22/464120722.db2.gz CCPDGPRTPBTFOE-INIZCTEOSA-N 1 2 333.476 2.126 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@@H](C)CN2CCOCC2)c1C ZINC000279656111 464120727 /nfs/dbraw/zinc/12/07/27/464120727.db2.gz CCPDGPRTPBTFOE-INIZCTEOSA-N 1 2 333.476 2.126 20 30 EEEDLO C=CCn1c(C)cc(C(=O)CN(C)[C@@H](C)C[NH+]2CCOCC2)c1C ZINC000279656111 464120733 /nfs/dbraw/zinc/12/07/33/464120733.db2.gz CCPDGPRTPBTFOE-INIZCTEOSA-N 1 2 333.476 2.126 20 30 EEEDLO CC(C)[C@@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000290547147 464123228 /nfs/dbraw/zinc/12/32/28/464123228.db2.gz PYYJQQDUTDSWJS-QGZVFWFLSA-N 1 2 331.420 2.150 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NC2(C#N)CCCCC2)n1 ZINC000279771448 464147689 /nfs/dbraw/zinc/14/76/89/464147689.db2.gz SVEBVUFWTYCCPQ-MRXNPFEDSA-N 1 2 341.459 2.069 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NC2(C#N)CCCCC2)n1 ZINC000279771448 464147693 /nfs/dbraw/zinc/14/76/93/464147693.db2.gz SVEBVUFWTYCCPQ-MRXNPFEDSA-N 1 2 341.459 2.069 20 30 EEEDLO Cc1ccoc1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000291749651 464158554 /nfs/dbraw/zinc/15/85/54/464158554.db2.gz KDCXPHPWVKZULO-UHFFFAOYSA-N 1 2 338.411 2.487 20 30 EEEDLO CSc1ccccc1C[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000280467368 464208836 /nfs/dbraw/zinc/20/88/36/464208836.db2.gz OSJNUIFHEDIJAP-UHFFFAOYSA-N 1 2 330.457 2.496 20 30 EEEDLO CSc1ccccc1C[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000280467368 464208841 /nfs/dbraw/zinc/20/88/41/464208841.db2.gz OSJNUIFHEDIJAP-UHFFFAOYSA-N 1 2 330.457 2.496 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1ccn(CCC#N)n1 ZINC000173348015 464244818 /nfs/dbraw/zinc/24/48/18/464244818.db2.gz JLFBLQLEYFGYBL-UHFFFAOYSA-N 1 2 337.387 2.277 20 30 EEEDLO C#CC[C@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC000270501120 464258949 /nfs/dbraw/zinc/25/89/49/464258949.db2.gz YUDWMYSPRXOREC-KRWDZBQOSA-N 1 2 329.444 2.161 20 30 EEEDLO C#CC[C@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC000270501120 464258956 /nfs/dbraw/zinc/25/89/56/464258956.db2.gz YUDWMYSPRXOREC-KRWDZBQOSA-N 1 2 329.444 2.161 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(C=O)c[nH]3)CC2)cc1 ZINC000292711090 464315182 /nfs/dbraw/zinc/31/51/82/464315182.db2.gz HJCZDUXEYQUCJC-UHFFFAOYSA-N 1 2 336.395 2.047 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(C=O)c[nH]3)CC2)cc1 ZINC000292711090 464315184 /nfs/dbraw/zinc/31/51/84/464315184.db2.gz HJCZDUXEYQUCJC-UHFFFAOYSA-N 1 2 336.395 2.047 20 30 EEEDLO CC1(C)[C@H]([NH+]=C([O-])NC[C@@H]2CCc3[nH+]ccn3C2)[C@@H]2CCCO[C@@H]21 ZINC000329893531 465465195 /nfs/dbraw/zinc/46/51/95/465465195.db2.gz AWFSRZRBTJKZQK-UGQVUOCMSA-N 1 2 332.448 2.153 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2c2nc(C(=O)OC)c(C)s2)C1=O ZINC000281294559 464403585 /nfs/dbraw/zinc/40/35/85/464403585.db2.gz JLGVCUBIXYWMFH-QWHCGFSZSA-N 1 2 349.456 2.162 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2nc(C(=O)OC)c(C)s2)C1=O ZINC000281294559 464403589 /nfs/dbraw/zinc/40/35/89/464403589.db2.gz JLGVCUBIXYWMFH-QWHCGFSZSA-N 1 2 349.456 2.162 20 30 EEEDLO C=CCN1CC[C@H]([NH2+][C@H](C)c2nc(-c3cccc(OC)c3)no2)C1=O ZINC000281305174 464407651 /nfs/dbraw/zinc/40/76/51/464407651.db2.gz UGTCIDWTODOXJC-DOMZBBRYSA-N 1 2 342.399 2.183 20 30 EEEDLO N#Cc1ccc2c(c1)N(C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)CC2 ZINC000281354991 464425637 /nfs/dbraw/zinc/42/56/37/464425637.db2.gz WZGXTDUGWUFOFX-SFHVURJKSA-N 1 2 325.412 2.091 20 30 EEEDLO N#Cc1ccc2c(c1)N(C(=O)[C@@H]1COCC[N@H+]1C1CCCC1)CC2 ZINC000281354991 464425640 /nfs/dbraw/zinc/42/56/40/464425640.db2.gz WZGXTDUGWUFOFX-SFHVURJKSA-N 1 2 325.412 2.091 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nc3cc(Cl)ccc3n2C)C1=O ZINC000281429390 464452003 /nfs/dbraw/zinc/45/20/03/464452003.db2.gz ZMJCYFMJSVZZCX-OAHLLOKOSA-N 1 2 332.835 2.445 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nc3cc(Cl)ccc3n2C)C1=O ZINC000281429390 464452009 /nfs/dbraw/zinc/45/20/09/464452009.db2.gz ZMJCYFMJSVZZCX-OAHLLOKOSA-N 1 2 332.835 2.445 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245478776 464486500 /nfs/dbraw/zinc/48/65/00/464486500.db2.gz VXFOGXXRHNJLJC-LFVRLGFBSA-N 1 2 335.473 2.179 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245478776 464486509 /nfs/dbraw/zinc/48/65/09/464486509.db2.gz VXFOGXXRHNJLJC-LFVRLGFBSA-N 1 2 335.473 2.179 20 30 EEEDLO COC[C@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000189448705 464506657 /nfs/dbraw/zinc/50/66/57/464506657.db2.gz NUOOQZNMLBMMSV-XYJFISCASA-N 1 2 345.443 2.057 20 30 EEEDLO COC[C@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000189448705 464506662 /nfs/dbraw/zinc/50/66/62/464506662.db2.gz NUOOQZNMLBMMSV-XYJFISCASA-N 1 2 345.443 2.057 20 30 EEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1CO ZINC000246291246 464568034 /nfs/dbraw/zinc/56/80/34/464568034.db2.gz DGHMJKTYGVUYTK-KBPBESRZSA-N 1 2 333.457 2.334 20 30 EEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1CO ZINC000246291246 464568039 /nfs/dbraw/zinc/56/80/39/464568039.db2.gz DGHMJKTYGVUYTK-KBPBESRZSA-N 1 2 333.457 2.334 20 30 EEEDLO C=CCN1CC[C@@H](N(C)c2cc(CC)[nH+]c(-c3ccncc3)n2)C1=O ZINC000281803082 464591258 /nfs/dbraw/zinc/59/12/58/464591258.db2.gz ITHLPCIISBOXIV-MRXNPFEDSA-N 1 2 337.427 2.324 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2OC)C[C@H](C)O3)C1=O ZINC000547406431 468412222 /nfs/dbraw/zinc/41/22/22/468412222.db2.gz AKKMDKJCQQTVJE-XJKSGUPXSA-N 1 2 330.428 2.237 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc3c(cc2OC)C[C@H](C)O3)C1=O ZINC000547406431 468412228 /nfs/dbraw/zinc/41/22/28/468412228.db2.gz AKKMDKJCQQTVJE-XJKSGUPXSA-N 1 2 330.428 2.237 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190514456 464664266 /nfs/dbraw/zinc/66/42/66/464664266.db2.gz IHNOLFLWQPGVKY-GOSISDBHSA-N 1 2 348.422 2.118 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247497562 464686470 /nfs/dbraw/zinc/68/64/70/464686470.db2.gz LKXCJTIWKZHKQN-ZBFHGGJFSA-N 1 2 329.448 2.288 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247497562 464686475 /nfs/dbraw/zinc/68/64/75/464686475.db2.gz LKXCJTIWKZHKQN-ZBFHGGJFSA-N 1 2 329.448 2.288 20 30 EEEDLO C#C[C@@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)C(C)C ZINC000282115705 464702183 /nfs/dbraw/zinc/70/21/83/464702183.db2.gz FDEQCRAXHOBDES-QZTJIDSGSA-N 1 2 329.444 2.017 20 30 EEEDLO COc1cc(C[NH+]2CCN(Cc3nc(C)c(C)o3)CC2)ccc1C#N ZINC000282178701 464723501 /nfs/dbraw/zinc/72/35/01/464723501.db2.gz FMCKITAKEHHPLD-UHFFFAOYSA-N 1 2 340.427 2.490 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1nncn1C ZINC000274057220 464733585 /nfs/dbraw/zinc/73/35/85/464733585.db2.gz QAKIJNJZNDKPME-LBPRGKRZSA-N 1 2 331.445 2.383 20 30 EEEDLO C=CCn1c(CC(C)C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000282272290 464758881 /nfs/dbraw/zinc/75/88/81/464758881.db2.gz MGMGSHUFXBSTHR-UHFFFAOYSA-N 1 2 344.463 2.281 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000275851803 464791252 /nfs/dbraw/zinc/79/12/52/464791252.db2.gz WLDDFFKDMBMGMW-KRWDZBQOSA-N 1 2 337.489 2.325 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)Cc2ccc(C#N)cc2)CC1(C)C ZINC000295342383 464795884 /nfs/dbraw/zinc/79/58/84/464795884.db2.gz QXJOJNDYWGWGIU-HNNXBMFYSA-N 1 2 344.440 2.205 20 30 EEEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)C1 ZINC000266815762 464832870 /nfs/dbraw/zinc/83/28/70/464832870.db2.gz GXNOHYWUIHXXBH-VXGBXAGGSA-N 1 2 328.199 2.005 20 30 EEEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)C1 ZINC000266815762 464832876 /nfs/dbraw/zinc/83/28/76/464832876.db2.gz GXNOHYWUIHXXBH-VXGBXAGGSA-N 1 2 328.199 2.005 20 30 EEEDLO C#CCC1(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCCCC1 ZINC000276224705 464853102 /nfs/dbraw/zinc/85/31/02/464853102.db2.gz CTUUUVCEUUBRGG-UHFFFAOYSA-N 1 2 344.459 2.128 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000276256165 464865196 /nfs/dbraw/zinc/86/51/96/464865196.db2.gz PLKQUVHVLQPTJN-LJQANCHMSA-N 1 2 332.444 2.265 20 30 EEEDLO N#CC[C@@H](O)CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000352161136 465484736 /nfs/dbraw/zinc/48/47/36/465484736.db2.gz UPFIRKWQNJLDBT-GFCCVEGCSA-N 1 2 329.360 2.321 20 30 EEEDLO CN(CCCNC(=O)C[N@H+](CCC#N)CC1CC1)c1ccccc1 ZINC000267080961 464916724 /nfs/dbraw/zinc/91/67/24/464916724.db2.gz MVTDETFIGZFAAL-UHFFFAOYSA-N 1 2 328.460 2.255 20 30 EEEDLO CN(CCCNC(=O)C[N@@H+](CCC#N)CC1CC1)c1ccccc1 ZINC000267080961 464916730 /nfs/dbraw/zinc/91/67/30/464916730.db2.gz MVTDETFIGZFAAL-UHFFFAOYSA-N 1 2 328.460 2.255 20 30 EEEDLO C=CCc1cc(CNC(=O)NCc2[nH+]ccn2C)cc(OC)c1OC ZINC000348217190 465496383 /nfs/dbraw/zinc/49/63/83/465496383.db2.gz JDZBYORWGLWUOU-UHFFFAOYSA-N 1 2 344.415 2.165 20 30 EEEDLO CCC(CC)C(=O)N1CCC(NC(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000329463672 465343254 /nfs/dbraw/zinc/34/32/54/465343254.db2.gz UHGAZAUWKGSRDM-UHFFFAOYSA-N 1 2 347.463 2.040 20 30 EEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCOCC3(CCC3)C1)CCC2 ZINC000329518530 465360180 /nfs/dbraw/zinc/36/01/80/465360180.db2.gz NOKFDWHTXFJXSC-OAHLLOKOSA-N 1 2 332.448 2.485 20 30 EEEDLO N#CC1(F)CC[NH+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000352449421 465530697 /nfs/dbraw/zinc/53/06/97/465530697.db2.gz MRQANNUETAKBGU-MRXNPFEDSA-N 1 2 349.381 2.053 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)C1=O ZINC000343609965 465533190 /nfs/dbraw/zinc/53/31/90/465533190.db2.gz XUSMKZOHSAPOKE-QGZVFWFLSA-N 1 2 328.391 2.230 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)C1=O ZINC000343609965 465533194 /nfs/dbraw/zinc/53/31/94/465533194.db2.gz XUSMKZOHSAPOKE-QGZVFWFLSA-N 1 2 328.391 2.230 20 30 EEEDLO CN1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1=O ZINC000330159747 465554534 /nfs/dbraw/zinc/55/45/34/465554534.db2.gz QQWOCPJPOGAUCB-HOTGVXAUSA-N 1 2 333.407 2.367 20 30 EEEDLO CN1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1=O ZINC000330159747 465554538 /nfs/dbraw/zinc/55/45/38/465554538.db2.gz QQWOCPJPOGAUCB-HOTGVXAUSA-N 1 2 333.407 2.367 20 30 EEEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000348333387 465555624 /nfs/dbraw/zinc/55/56/24/465555624.db2.gz YOSSOPYRVLKHBX-KRWDZBQOSA-N 1 2 346.862 2.145 20 30 EEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCOCC2)cc1 ZINC000344269630 465600563 /nfs/dbraw/zinc/60/05/63/465600563.db2.gz ZMDZGWXSEVIOSU-UHFFFAOYSA-N 1 2 331.416 2.054 20 30 EEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCOCC2)cc1 ZINC000344269630 465600569 /nfs/dbraw/zinc/60/05/69/465600569.db2.gz ZMDZGWXSEVIOSU-UHFFFAOYSA-N 1 2 331.416 2.054 20 30 EEEDLO Cc1cc(N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2ccnn2C)cc(C#N)n1 ZINC000361006805 465697058 /nfs/dbraw/zinc/69/70/58/465697058.db2.gz LMDNGTVIXMGNOW-KSSFIOAISA-N 1 2 342.422 2.044 20 30 EEEDLO Cc1cc(N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2ccnn2C)cc(C#N)n1 ZINC000361006805 465697063 /nfs/dbraw/zinc/69/70/63/465697063.db2.gz LMDNGTVIXMGNOW-KSSFIOAISA-N 1 2 342.422 2.044 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000345392947 465862237 /nfs/dbraw/zinc/86/22/37/465862237.db2.gz AEVYQOCFUBBSPE-HKUYNNGSSA-N 1 2 346.471 2.466 20 30 EEEDLO CC#CCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000361521204 466069633 /nfs/dbraw/zinc/06/96/33/466069633.db2.gz ZMKIUVPCRNBLJJ-DLBZAZTESA-N 1 2 349.862 2.424 20 30 EEEDLO CC#CCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000361521204 466069642 /nfs/dbraw/zinc/06/96/42/466069642.db2.gz 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C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncn(C(C)(C)C)n2)[C@H]1CC ZINC001087724763 782129290 /nfs/dbraw/zinc/12/92/90/782129290.db2.gz ILBYOMAAZJUXBE-QWHCGFSZSA-N 1 2 339.871 2.368 20 30 EEEDLO C=CCCCCCNC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000580725634 468482309 /nfs/dbraw/zinc/48/23/09/468482309.db2.gz VRTFEMYGZQRBBA-UHFFFAOYSA-N 1 2 349.500 2.255 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCc2cc(C#N)ccc2F)C1 ZINC000372307943 466293489 /nfs/dbraw/zinc/29/34/89/466293489.db2.gz NUONYDMLACSFIX-ZDUSSCGKSA-N 1 2 327.363 2.130 20 30 EEEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000354015434 466329721 /nfs/dbraw/zinc/32/97/21/466329721.db2.gz SIRXEWISPQUQSX-IBGZPJMESA-N 1 2 335.407 2.419 20 30 EEEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000354015434 466329727 /nfs/dbraw/zinc/32/97/27/466329727.db2.gz SIRXEWISPQUQSX-IBGZPJMESA-N 1 2 335.407 2.419 20 30 EEEDLO O=C(NCC#Cc1cccc(F)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000338729829 466340530 /nfs/dbraw/zinc/34/05/30/466340530.db2.gz 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/nfs/dbraw/zinc/38/10/50/467381050.db2.gz ZLMHKUKIMPYVPD-LLVKDONJSA-N 1 2 345.212 2.482 20 30 EEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)c2cc(C#N)cs2)C1 ZINC000442826339 467578174 /nfs/dbraw/zinc/57/81/74/467578174.db2.gz IYHYOWOGPBQDKZ-KRWDZBQOSA-N 1 2 349.456 2.156 20 30 EEEDLO Cc1cc(N2CCN(C(=O)[C@]3(C#N)C[C@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000448612657 467596305 /nfs/dbraw/zinc/59/63/05/467596305.db2.gz KMFWYEHJFNHIBE-ACJLOTCBSA-N 1 2 327.432 2.107 20 30 EEEDLO CCN1CCN(C(=O)/C=C/c2cccc(C#N)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000492665810 467706792 /nfs/dbraw/zinc/70/67/92/467706792.db2.gz DTQBOIDUNYYFTI-DKRLNXSXSA-N 1 2 335.411 2.200 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000457476261 467832793 /nfs/dbraw/zinc/83/27/93/467832793.db2.gz VVUVJSHTDRCSFQ-HNNXBMFYSA-N 1 2 330.432 2.361 20 30 EEEDLO C=CC[N@H+](C[C@@H]1COCCO1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000450807414 467912314 /nfs/dbraw/zinc/91/23/14/467912314.db2.gz GFDYXACAHMFHOU-MSOLQXFVSA-N 1 2 333.428 2.064 20 30 EEEDLO C=CC[N@@H+](C[C@@H]1COCCO1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000450807414 467912316 /nfs/dbraw/zinc/91/23/16/467912316.db2.gz GFDYXACAHMFHOU-MSOLQXFVSA-N 1 2 333.428 2.064 20 30 EEEDLO CCN1CCN(c2c(C#N)nnc3ccccc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000530480366 467987744 /nfs/dbraw/zinc/98/77/44/467987744.db2.gz IHLFRGWYPYIPEH-MRXNPFEDSA-N 1 2 333.399 2.108 20 30 EEEDLO C=C[C@@H]1CCCCN1c1nc(NC)[nH+]c(N2CCCC[C@H]2C=C)n1 ZINC000486472514 468011893 /nfs/dbraw/zinc/01/18/93/468011893.db2.gz UCXMICDUHLZRBN-HUUCEWRRSA-N 1 2 328.464 2.425 20 30 EEEDLO C=C[C@@H]1CCCCN1c1nc(NC)nc(N2CCCC[C@H]2C=C)[nH+]1 ZINC000486472514 468011897 /nfs/dbraw/zinc/01/18/97/468011897.db2.gz UCXMICDUHLZRBN-HUUCEWRRSA-N 1 2 328.464 2.425 20 30 EEEDLO N#Cc1cccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)n1 ZINC000589252922 468136727 /nfs/dbraw/zinc/13/67/27/468136727.db2.gz CWFPHUGYCNDUBG-YVMONPNESA-N 1 2 332.407 2.424 20 30 EEEDLO Cc1ccc(F)cc1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000582213429 468506398 /nfs/dbraw/zinc/50/63/98/468506398.db2.gz HJWSGSJHKWMLGL-UHFFFAOYSA-N 1 2 341.386 2.048 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(OCc2cccnc2)c1 ZINC000591772606 468519796 /nfs/dbraw/zinc/51/97/96/468519796.db2.gz QUKFNYGHRRYXNZ-SFHVURJKSA-N 1 2 340.427 2.279 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(OCc2cccnc2)c1 ZINC000591772606 468519801 /nfs/dbraw/zinc/51/98/01/468519801.db2.gz QUKFNYGHRRYXNZ-SFHVURJKSA-N 1 2 340.427 2.279 20 30 EEEDLO Cc1cccc2[nH+]c(CCNS(=O)(=O)CC(C)(C)CC#N)cn21 ZINC000592121217 468630017 /nfs/dbraw/zinc/63/00/17/468630017.db2.gz PZAYCXKLWYKITR-UHFFFAOYSA-N 1 2 334.445 2.045 20 30 EEEDLO C[C@H](NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccc2ccccc2c1 ZINC000592144584 468636896 /nfs/dbraw/zinc/63/68/96/468636896.db2.gz BBUOKIWACOFNFZ-YWZLYKJASA-N 1 2 337.423 2.367 20 30 EEEDLO C[C@H](NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccc2ccccc2c1 ZINC000592144584 468636899 /nfs/dbraw/zinc/63/68/99/468636899.db2.gz BBUOKIWACOFNFZ-YWZLYKJASA-N 1 2 337.423 2.367 20 30 EEEDLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146208 468636973 /nfs/dbraw/zinc/63/69/73/468636973.db2.gz FYDHZGVZCVPDTI-BMIGLBTASA-N 1 2 325.771 2.157 20 30 EEEDLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146208 468636976 /nfs/dbraw/zinc/63/69/76/468636976.db2.gz FYDHZGVZCVPDTI-BMIGLBTASA-N 1 2 325.771 2.157 20 30 EEEDLO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592147408 468637046 /nfs/dbraw/zinc/63/70/46/468637046.db2.gz LMODNKXUGHLCFL-JXFKEZNVSA-N 1 2 343.471 2.413 20 30 EEEDLO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592147408 468637051 /nfs/dbraw/zinc/63/70/51/468637051.db2.gz LMODNKXUGHLCFL-JXFKEZNVSA-N 1 2 343.471 2.413 20 30 EEEDLO COc1cc(-c2nc(C[N@@H+]3CC[C@@](O)(CC#N)C3)cs2)ccc1O ZINC000592150630 468640273 /nfs/dbraw/zinc/64/02/73/468640273.db2.gz FJTAFROEHKZGJP-KRWDZBQOSA-N 1 2 345.424 2.375 20 30 EEEDLO COc1cc(-c2nc(C[N@H+]3CC[C@@](O)(CC#N)C3)cs2)ccc1O ZINC000592150630 468640278 /nfs/dbraw/zinc/64/02/78/468640278.db2.gz FJTAFROEHKZGJP-KRWDZBQOSA-N 1 2 345.424 2.375 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(F)c(Br)c1 ZINC000571332516 468773236 /nfs/dbraw/zinc/77/32/36/468773236.db2.gz YJENISMRJMHDQN-CYBMUJFWSA-N 1 2 328.185 2.162 20 30 EEEDLO C[C@H](Oc1ccc(F)cc1Cl)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593154704 468889642 /nfs/dbraw/zinc/88/96/42/468889642.db2.gz UPZYUORYHAQLKC-ZUZCIYMTSA-N 1 2 327.787 2.206 20 30 EEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c2c1c(C)n[nH]c2=O ZINC000595613185 468921294 /nfs/dbraw/zinc/92/12/94/468921294.db2.gz AMWUFMRRDQUBQY-GFCCVEGCSA-N 1 2 343.387 2.109 20 30 EEEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)c2c1c(C)n[nH]c2=O ZINC000595613185 468921297 /nfs/dbraw/zinc/92/12/97/468921297.db2.gz AMWUFMRRDQUBQY-GFCCVEGCSA-N 1 2 343.387 2.109 20 30 EEEDLO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595616623 468925009 /nfs/dbraw/zinc/92/50/09/468925009.db2.gz SCMBOZNHMBIXAO-AWEZNQCLSA-N 1 2 328.416 2.000 20 30 EEEDLO CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595616623 468925013 /nfs/dbraw/zinc/92/50/13/468925013.db2.gz SCMBOZNHMBIXAO-AWEZNQCLSA-N 1 2 328.416 2.000 20 30 EEEDLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595620397 468926680 /nfs/dbraw/zinc/92/66/80/468926680.db2.gz NEYFWTKBKWWFKX-HNNXBMFYSA-N 1 2 336.457 2.485 20 30 EEEDLO COc1ccccc1S(=O)(=O)CCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595620397 468926684 /nfs/dbraw/zinc/92/66/84/468926684.db2.gz NEYFWTKBKWWFKX-HNNXBMFYSA-N 1 2 336.457 2.485 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573210661 469083176 /nfs/dbraw/zinc/08/31/76/469083176.db2.gz QSKPNPWVCBMVAS-CYBMUJFWSA-N 1 2 344.293 2.187 20 30 EEEDLO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCN(CCC#N)CC1 ZINC000611174658 469181667 /nfs/dbraw/zinc/18/16/67/469181667.db2.gz OBJZJSCDEOOMFK-HOTGVXAUSA-N 1 2 346.500 2.331 20 30 EEEDLO CCCCNC(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000615223437 469184318 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C=CCCn1cc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)nn1 ZINC000653648404 471700462 /nfs/dbraw/zinc/70/04/62/471700462.db2.gz WZRFZLPKNONVBT-OAHLLOKOSA-N 1 2 331.395 2.432 20 30 EEEDLO COCC#CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000677818932 486499407 /nfs/dbraw/zinc/49/94/07/486499407.db2.gz LPKZHDZNAKPVER-QGZVFWFLSA-N 1 2 328.412 2.064 20 30 EEEDLO COCC#CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000677818932 486499412 /nfs/dbraw/zinc/49/94/12/486499412.db2.gz LPKZHDZNAKPVER-QGZVFWFLSA-N 1 2 328.412 2.064 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000178269404 527634189 /nfs/dbraw/zinc/63/41/89/527634189.db2.gz IVFGXDZNEXCUAY-KBPBESRZSA-N 1 2 333.398 2.144 20 30 EEEDLO CCOC(=O)[C@@H](C)[N@H+](CCOc1ccc(C#N)cc1OC)C1CC1 ZINC000190853012 527728334 /nfs/dbraw/zinc/72/83/34/527728334.db2.gz HNTVDVVIWFTALB-CYBMUJFWSA-N 1 2 332.400 2.362 20 30 EEEDLO CCOC(=O)[C@@H](C)[N@@H+](CCOc1ccc(C#N)cc1OC)C1CC1 ZINC000190853012 527728341 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CCOc1ccc(/C=[NH+]/C2CCN(C(=O)CCOC)CC2)c(O)c1 ZINC000767687732 577542907 /nfs/dbraw/zinc/54/29/07/577542907.db2.gz IISLOXAPXSPGOC-CPNJWEJPSA-N 1 2 334.416 2.237 20 30 EEEDLO N#Cc1cccn(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c1=O ZINC000758233795 577619398 /nfs/dbraw/zinc/61/93/98/577619398.db2.gz WTACNTLLCHVEED-IBGZPJMESA-N 1 2 337.423 2.401 20 30 EEEDLO N#Cc1cccn(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c1=O ZINC000758233795 577619399 /nfs/dbraw/zinc/61/93/99/577619399.db2.gz WTACNTLLCHVEED-IBGZPJMESA-N 1 2 337.423 2.401 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2c(C)nc(C(C)(C)C)nc2SC)CC1 ZINC000760586601 577666319 /nfs/dbraw/zinc/66/63/19/577666319.db2.gz ZNPOCYAZVCMGNW-UHFFFAOYSA-N 1 2 346.500 2.195 20 30 EEEDLO CCOC(=O)[C@@H]1CCC(N=Nc2ccc(-n3cc[nH+]c3)nn2)C[C@H]1C ZINC000761837591 577689875 /nfs/dbraw/zinc/68/98/75/577689875.db2.gz GXCWTNMLXVPQFL-TZMCWYRMSA-N 1 2 342.403 2.430 20 30 EEEDLO C[C@H]1SCC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)[C@H]1C ZINC000744407747 577897309 /nfs/dbraw/zinc/89/73/09/577897309.db2.gz QQGGNJAJBVVURP-QWHCGFSZSA-N 1 2 328.441 2.246 20 30 EEEDLO C[C@H]1SCC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)[C@H]1C ZINC000744407747 577897310 /nfs/dbraw/zinc/89/73/10/577897310.db2.gz QQGGNJAJBVVURP-QWHCGFSZSA-N 1 2 328.441 2.246 20 30 EEEDLO C=CCn1nnn(C[N@@H+](CCC)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1=S ZINC000740857398 578107998 /nfs/dbraw/zinc/10/79/98/578107998.db2.gz CRHATGBKBBQMOX-MGPQQGTHSA-N 1 2 337.493 2.478 20 30 EEEDLO C=CCn1nnn(C[N@H+](CCC)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1=S ZINC000740857398 578107999 /nfs/dbraw/zinc/10/79/99/578107999.db2.gz CRHATGBKBBQMOX-MGPQQGTHSA-N 1 2 337.493 2.478 20 30 EEEDLO C[C@@H](NC(=O)[C@H]1CCCOC1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969389176 674933298 /nfs/dbraw/zinc/93/32/98/674933298.db2.gz JCBWWAYSGZBPAV-HIFRSBDPSA-N 1 2 345.418 2.060 20 30 EEEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2cc(F)ccc2F)C1 ZINC000969462033 675057695 /nfs/dbraw/zinc/05/76/95/675057695.db2.gz CLDSPNBBGPDMIS-LLVKDONJSA-N 1 2 344.365 2.415 20 30 EEEDLO C[C@@H](NC(=O)[C@H]1CC1(F)F)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969634572 675134592 /nfs/dbraw/zinc/13/45/92/675134592.db2.gz WHAPUGWUYBEWGL-QMTHXVAHSA-N 1 2 337.345 2.289 20 30 EEEDLO C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970446091 675900991 /nfs/dbraw/zinc/90/09/91/675900991.db2.gz ZPJDBSDKTNYOAO-FHSNZYRGSA-N 1 2 345.418 2.201 20 30 EEEDLO C[C@H](NC(=O)[C@H]1CC12CC2)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970494601 675936657 /nfs/dbraw/zinc/93/66/57/675936657.db2.gz KNKOIIGGPRJTJO-BLLLJJGKSA-N 1 2 327.403 2.434 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ncc(C(C)C)o3)C2)cn1 ZINC000970519229 675956003 /nfs/dbraw/zinc/95/60/03/675956003.db2.gz JCEACLBJZGSQKB-MRXNPFEDSA-N 1 2 338.411 2.179 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(F)cn2)C1 ZINC000970570266 675992613 /nfs/dbraw/zinc/99/26/13/675992613.db2.gz IMSUQAJIEKDWTG-KKXDTOCCSA-N 1 2 347.434 2.138 20 30 EEEDLO Cc1nc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3C#N)C2)c(C)o1 ZINC000970639619 676042291 /nfs/dbraw/zinc/04/22/91/676042291.db2.gz IDOMISUOIFRMLN-LBPRGKRZSA-N 1 2 338.411 2.413 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+]([C@@H](C)c3ncc(C)o3)C2)cn1 ZINC000970767643 676134493 /nfs/dbraw/zinc/13/44/93/676134493.db2.gz VBOXLOGGKVVSGD-KBPBESRZSA-N 1 2 338.411 2.171 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2OCCc3ccccc32)C1 ZINC000970253836 675747075 /nfs/dbraw/zinc/74/70/75/675747075.db2.gz QOKIDOGULGZMSZ-CXAGYDPISA-N 1 2 334.847 2.489 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](Cc3cnc(C)nc3)C2)cc1 ZINC000970254468 675749212 /nfs/dbraw/zinc/74/92/12/675749212.db2.gz BMTVPAFWAHMIHV-AWEZNQCLSA-N 1 2 334.423 2.017 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC000970995177 676302820 /nfs/dbraw/zinc/30/28/20/676302820.db2.gz AHBWZIFLLVQLQC-SNVBAGLBSA-N 1 2 335.791 2.336 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(C)(F)F)cc3)C2)C1 ZINC000972701606 679675656 /nfs/dbraw/zinc/67/56/56/679675656.db2.gz DHIUNCRHWWNIBL-LJQANCHMSA-N 1 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/nfs/dbraw/zinc/22/24/70/1195222470.db2.gz OLAJREKWVIYKHF-KGLIPLIRSA-N 1 2 345.281 2.244 20 30 EEEDLO C[C@H](CCCCNc1ncc(C#N)cc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001090156699 1195513146 /nfs/dbraw/zinc/51/31/46/1195513146.db2.gz KHHJPEVDFLOUCF-GFCCVEGCSA-N 1 2 344.394 2.145 20 30 EEEDLO CCN(C(=O)c1cccnn1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033999365 1195621750 /nfs/dbraw/zinc/62/17/50/1195621750.db2.gz MXRKUNXSKWUNJE-QGZVFWFLSA-N 1 2 335.411 2.085 20 30 EEEDLO CCN(C(=O)c1cccnn1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033999365 1195621753 /nfs/dbraw/zinc/62/17/53/1195621753.db2.gz MXRKUNXSKWUNJE-QGZVFWFLSA-N 1 2 335.411 2.085 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001034139919 1195813800 /nfs/dbraw/zinc/81/38/00/1195813800.db2.gz UXIFCDUZJCDKIO-KBPBESRZSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001034139919 1195813802 /nfs/dbraw/zinc/81/38/02/1195813802.db2.gz UXIFCDUZJCDKIO-KBPBESRZSA-N 1 2 345.281 2.292 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC001108118624 1195855145 /nfs/dbraw/zinc/85/51/45/1195855145.db2.gz ZDOHIRCHCCPNFM-JXFKEZNVSA-N 1 2 344.455 2.336 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC001108118624 1195855147 /nfs/dbraw/zinc/85/51/47/1195855147.db2.gz ZDOHIRCHCCPNFM-JXFKEZNVSA-N 1 2 344.455 2.336 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCCC[N@H+](Cc2ncccn2)C1 ZINC001034247782 1195980596 /nfs/dbraw/zinc/98/05/96/1195980596.db2.gz SSTPSNGHEUTDID-INIZCTEOSA-N 1 2 339.443 2.249 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCCC[N@@H+](Cc2ncccn2)C1 ZINC001034247782 1195980602 /nfs/dbraw/zinc/98/06/02/1195980602.db2.gz SSTPSNGHEUTDID-INIZCTEOSA-N 1 2 339.443 2.249 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCCC[C@H](NC(=O)c3[nH]ncc3F)C2)c1 ZINC001034382127 1196164871 /nfs/dbraw/zinc/16/48/71/1196164871.db2.gz QSMYHZNIYHYVSW-HNNXBMFYSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@H](NC(=O)c3[nH]ncc3F)C2)c1 ZINC001034382127 1196164873 /nfs/dbraw/zinc/16/48/73/1196164873.db2.gz QSMYHZNIYHYVSW-HNNXBMFYSA-N 1 2 341.390 2.205 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001108132960 1196453405 /nfs/dbraw/zinc/45/34/05/1196453405.db2.gz XQZBKDPYBLBYHR-KFWWJZLASA-N 1 2 332.448 2.416 20 30 EEEDLO N#Cc1ccc(N2CC[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cn1 ZINC001061774770 1196532964 /nfs/dbraw/zinc/53/29/64/1196532964.db2.gz SOHYMCUJOJODBR-ZDUSSCGKSA-N 1 2 346.394 2.086 20 30 EEEDLO Cc1cc(C[NH2+]Cc2ccc(CNC(=O)c3ccc(C#N)[nH]3)cc2)no1 ZINC001034813035 1196766276 /nfs/dbraw/zinc/76/62/76/1196766276.db2.gz GEQUDOJZCOBSGC-UHFFFAOYSA-N 1 2 349.394 2.403 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1cnc2ccccc21 ZINC001018138021 1224379763 /nfs/dbraw/zinc/37/97/63/1224379763.db2.gz XCCHBMXUQJVLGD-YESZJQIVSA-N 1 2 336.439 2.296 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1cnc2ccccc21 ZINC001018138021 1224379772 /nfs/dbraw/zinc/37/97/72/1224379772.db2.gz XCCHBMXUQJVLGD-YESZJQIVSA-N 1 2 336.439 2.296 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cc3cncs3)C2)ccc1F ZINC001014822363 1224402728 /nfs/dbraw/zinc/40/27/28/1224402728.db2.gz SJCINWWHQNXVLB-AWEZNQCLSA-N 1 2 344.415 2.087 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cc3cncs3)C2)ccc1F ZINC001014822363 1224402731 /nfs/dbraw/zinc/40/27/31/1224402731.db2.gz SJCINWWHQNXVLB-AWEZNQCLSA-N 1 2 344.415 2.087 20 30 EEEDLO N#Cc1cc([N+](=O)[O-])c(N2CC[NH+](Cc3ccccn3)CC2)cc1F ZINC000865418064 1198207469 /nfs/dbraw/zinc/20/74/69/1198207469.db2.gz ANGKFOXLCFIZMA-UHFFFAOYSA-N 1 2 341.346 2.323 20 30 EEEDLO C=CCCn1cc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)nn1 ZINC000865887044 1198414553 /nfs/dbraw/zinc/41/45/53/1198414553.db2.gz JVJUMHAZNJUJQC-UHFFFAOYSA-N 1 2 326.408 2.361 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cncc(OC)n2)C1 ZINC001132073625 1199265287 /nfs/dbraw/zinc/26/52/87/1199265287.db2.gz XFRJGLKZFAWOTD-CABCVRRESA-N 1 2 332.448 2.311 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cncc(OC)n2)C1 ZINC001132073625 1199265295 /nfs/dbraw/zinc/26/52/95/1199265295.db2.gz XFRJGLKZFAWOTD-CABCVRRESA-N 1 2 332.448 2.311 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(OC)nn2)C1 ZINC001132064216 1199275862 /nfs/dbraw/zinc/27/58/62/1199275862.db2.gz GMPRIODLKIMULE-HUUCEWRRSA-N 1 2 332.448 2.311 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001132064216 1199275865 /nfs/dbraw/zinc/27/58/65/1199275865.db2.gz GMPRIODLKIMULE-HUUCEWRRSA-N 1 2 332.448 2.311 20 30 EEEDLO C#CC[C@H](CCOC)NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000876073533 1199492303 /nfs/dbraw/zinc/49/23/03/1199492303.db2.gz QZWNPBGEXVUIPH-MSOLQXFVSA-N 1 2 346.496 2.321 20 30 EEEDLO CCc1nc(C)c(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC#CCOC)C2)s1 ZINC001132346272 1199608953 /nfs/dbraw/zinc/60/89/53/1199608953.db2.gz XCMVPGMGNLJITE-UKRRQHHQSA-N 1 2 349.500 2.246 20 30 EEEDLO CCc1nc(C)c(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC#CCOC)C2)s1 ZINC001132346272 1199608955 /nfs/dbraw/zinc/60/89/55/1199608955.db2.gz XCMVPGMGNLJITE-UKRRQHHQSA-N 1 2 349.500 2.246 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc([C@@H](C)OCC(C)C)no1 ZINC001132395786 1199652412 /nfs/dbraw/zinc/65/24/12/1199652412.db2.gz OXZVUNMAIQTIPL-CYBMUJFWSA-N 1 2 338.452 2.221 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(Cc2ccccc2C)no1 ZINC001132395734 1199652467 /nfs/dbraw/zinc/65/24/67/1199652467.db2.gz MZVDJEUFQTXDRE-UHFFFAOYSA-N 1 2 342.443 2.387 20 30 EEEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+]c1ccc(N2CCNC(=O)C2)cc1 ZINC000876821437 1199786044 /nfs/dbraw/zinc/78/60/44/1199786044.db2.gz IIGOQSPXZPZOQX-OAHLLOKOSA-N 1 2 342.443 2.134 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001132529551 1199826783 /nfs/dbraw/zinc/82/67/83/1199826783.db2.gz OCFSTYHRTVMYEB-CZUORRHYSA-N 1 2 335.448 2.353 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001132529551 1199826788 /nfs/dbraw/zinc/82/67/88/1199826788.db2.gz OCFSTYHRTVMYEB-CZUORRHYSA-N 1 2 335.448 2.353 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccoc2C(C)C)CC[C@@H]1C ZINC001132530378 1199827495 /nfs/dbraw/zinc/82/74/95/1199827495.db2.gz XNZDKILLUJPULM-GJZGRUSLSA-N 1 2 347.459 2.288 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2ccoc2C(C)C)CC[C@@H]1C ZINC001132530378 1199827498 /nfs/dbraw/zinc/82/74/98/1199827498.db2.gz XNZDKILLUJPULM-GJZGRUSLSA-N 1 2 347.459 2.288 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1)c1ccccc1 ZINC000878544859 1200532339 /nfs/dbraw/zinc/53/23/39/1200532339.db2.gz NMPLQSCBGHZSKG-PWIZWCRZSA-N 1 2 342.439 2.307 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1)c1ccccc1 ZINC000878544859 1200532345 /nfs/dbraw/zinc/53/23/45/1200532345.db2.gz NMPLQSCBGHZSKG-PWIZWCRZSA-N 1 2 342.439 2.307 20 30 EEEDLO Cc1nsc(N2CC[NH+](CCCOC(F)(F)F)CC2)c1C#N ZINC000878630334 1200585690 /nfs/dbraw/zinc/58/56/90/1200585690.db2.gz XRNBRUCYZAGHOK-UHFFFAOYSA-N 1 2 334.367 2.372 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CC1(C)C ZINC001114457429 1200610177 /nfs/dbraw/zinc/61/01/77/1200610177.db2.gz QDWFTOKDJARBAK-MRXNPFEDSA-N 1 2 346.475 2.326 20 30 EEEDLO CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879589707 1201160956 /nfs/dbraw/zinc/16/09/56/1201160956.db2.gz XKLFWKLHGJMZMO-AWEZNQCLSA-N 1 2 332.423 2.075 20 30 EEEDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000879763418 1201245958 /nfs/dbraw/zinc/24/59/58/1201245958.db2.gz FLTOYNZWCFPYTK-OAHLLOKOSA-N 1 2 341.333 2.080 20 30 EEEDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000879763418 1201245964 /nfs/dbraw/zinc/24/59/64/1201245964.db2.gz FLTOYNZWCFPYTK-OAHLLOKOSA-N 1 2 341.333 2.080 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000880091148 1201383230 /nfs/dbraw/zinc/38/32/30/1201383230.db2.gz RWCDEALOTCCRHN-CQSZACIVSA-N 1 2 345.443 2.385 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000880091148 1201383232 /nfs/dbraw/zinc/38/32/32/1201383232.db2.gz RWCDEALOTCCRHN-CQSZACIVSA-N 1 2 345.443 2.385 20 30 EEEDLO Cc1cc(N2C[C@H](NC(=O)[C@H](C)C#N)C(C)(C)C2)nc(C(C)C)[nH+]1 ZINC001114440192 1201952647 /nfs/dbraw/zinc/95/26/47/1201952647.db2.gz SJJZQZOCJRWDMB-OCCSQVGLSA-N 1 2 329.448 2.399 20 30 EEEDLO N#Cc1ccc(CN2CC[N@H+](Cc3ccc(C#N)cc3)[C@H](CO)C2)cc1 ZINC000886371351 1202497845 /nfs/dbraw/zinc/49/78/45/1202497845.db2.gz JSTZQDBBXNSGAN-NRFANRHFSA-N 1 2 346.434 2.109 20 30 EEEDLO N#Cc1ccc(CN2CC[N@@H+](Cc3ccc(C#N)cc3)[C@H](CO)C2)cc1 ZINC000886371351 1202497846 /nfs/dbraw/zinc/49/78/46/1202497846.db2.gz JSTZQDBBXNSGAN-NRFANRHFSA-N 1 2 346.434 2.109 20 30 EEEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)ccc(O)c1F)CC2 ZINC001274167425 1204427560 /nfs/dbraw/zinc/42/75/60/1204427560.db2.gz COOVWQDEQRMECB-ZDUSSCGKSA-N 1 2 334.366 2.022 20 30 EEEDLO C=C(C)C[C@H](CO)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890242490 1204812263 /nfs/dbraw/zinc/81/22/63/1204812263.db2.gz QHUJDULLLGEJDO-IAGOWNOFSA-N 1 2 328.416 2.251 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ncccc2C(F)(F)F)C1=O ZINC001274246614 1204974168 /nfs/dbraw/zinc/97/41/68/1204974168.db2.gz YDZDGLCYJNPNSL-MRXNPFEDSA-N 1 2 337.345 2.301 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ncccc2C(F)(F)F)C1=O ZINC001274246614 1204974170 /nfs/dbraw/zinc/97/41/70/1204974170.db2.gz YDZDGLCYJNPNSL-MRXNPFEDSA-N 1 2 337.345 2.301 20 30 EEEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]23CCN(C2COC2)C3=O)c1 ZINC001274424582 1205030870 /nfs/dbraw/zinc/03/08/70/1205030870.db2.gz GQUOFCBVIJVYQG-SFHVURJKSA-N 1 2 345.830 2.177 20 30 EEEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]23CCN(C2COC2)C3=O)c1 ZINC001274424582 1205030873 /nfs/dbraw/zinc/03/08/73/1205030873.db2.gz GQUOFCBVIJVYQG-SFHVURJKSA-N 1 2 345.830 2.177 20 30 EEEDLO CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@H+](Cc3[nH]ccc3C#N)CC2)C1=O ZINC001274855931 1205188907 /nfs/dbraw/zinc/18/89/07/1205188907.db2.gz VCLJSWTZRKLXKN-AUUYWEPGSA-N 1 2 342.443 2.068 20 30 EEEDLO CC(=O)[C@@H](C)N1CC[C@]2(CCC[N@@H+](Cc3[nH]ccc3C#N)CC2)C1=O ZINC001274855931 1205188909 /nfs/dbraw/zinc/18/89/09/1205188909.db2.gz 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ZINC000965898741 1219337612 /nfs/dbraw/zinc/33/76/12/1219337612.db2.gz CIDKINDGXXJEPF-BDJLRTHQSA-N 1 2 341.415 2.132 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3n(n2)CCCC3)C1 ZINC000966884523 1220094032 /nfs/dbraw/zinc/09/40/32/1220094032.db2.gz MNZVBZUZPDKJHL-WBMJQRKESA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3n(n2)CCCC3)C1 ZINC000966884523 1220094034 /nfs/dbraw/zinc/09/40/34/1220094034.db2.gz MNZVBZUZPDKJHL-WBMJQRKESA-N 1 2 336.867 2.412 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000967144889 1220310689 /nfs/dbraw/zinc/31/06/89/1220310689.db2.gz AITWZHGOTQLMAV-DNVCBOLYSA-N 1 2 346.475 2.298 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)nc1 ZINC001016021883 1225966034 /nfs/dbraw/zinc/96/60/34/1225966034.db2.gz BJBQUBAWYQJSMN-KRWDZBQOSA-N 1 2 348.381 2.078 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)nc1 ZINC001016021883 1225966037 /nfs/dbraw/zinc/96/60/37/1225966037.db2.gz BJBQUBAWYQJSMN-KRWDZBQOSA-N 1 2 348.381 2.078 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnc3c(c2)ncn3C)C1 ZINC000967699962 1220748585 /nfs/dbraw/zinc/74/85/85/1220748585.db2.gz FDQNHJFQDHVSIW-ABAIWWIYSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnc3c(c2)ncn3C)C1 ZINC000967699962 1220748590 /nfs/dbraw/zinc/74/85/90/1220748590.db2.gz FDQNHJFQDHVSIW-ABAIWWIYSA-N 1 2 347.850 2.161 20 30 EEEDLO CCC1(Nc2ncccc2C#N)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001066831834 1221058847 /nfs/dbraw/zinc/05/88/47/1221058847.db2.gz XCKSKKANPUJKFQ-UHFFFAOYSA-N 1 2 338.415 2.033 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](CC(=O)NC3CCCC3)CC[C@@H]2C)C1 ZINC000968273278 1221168356 /nfs/dbraw/zinc/16/83/56/1221168356.db2.gz GUSMRYMACSZGTJ-RDJZCZTQSA-N 1 2 347.503 2.228 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](CC(=O)NC3CCCC3)CC[C@@H]2C)C1 ZINC000968273278 1221168358 /nfs/dbraw/zinc/16/83/58/1221168358.db2.gz GUSMRYMACSZGTJ-RDJZCZTQSA-N 1 2 347.503 2.228 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnn(C(F)F)c2)C1 ZINC000968475099 1221334215 /nfs/dbraw/zinc/33/42/15/1221334215.db2.gz DZTLDJOJTYTVFI-CABZTGNLSA-N 1 2 332.782 2.471 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnn(C(F)F)c2)C1 ZINC000968475099 1221334218 /nfs/dbraw/zinc/33/42/18/1221334218.db2.gz DZTLDJOJTYTVFI-CABZTGNLSA-N 1 2 332.782 2.471 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2nccn3cc(C)nc23)C1 ZINC000968517932 1221371427 /nfs/dbraw/zinc/37/14/27/1221371427.db2.gz VNWZRVVSZHWOPE-RISCZKNCSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2nccn3cc(C)nc23)C1 ZINC000968517932 1221371429 /nfs/dbraw/zinc/37/14/29/1221371429.db2.gz VNWZRVVSZHWOPE-RISCZKNCSA-N 1 2 347.850 2.230 20 30 EEEDLO C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC000968684629 1221488930 /nfs/dbraw/zinc/48/89/30/1221488930.db2.gz FVRLJTCYYYZBCI-HIFRSBDPSA-N 1 2 325.416 2.098 20 30 EEEDLO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC000968684629 1221488932 /nfs/dbraw/zinc/48/89/32/1221488932.db2.gz FVRLJTCYYYZBCI-HIFRSBDPSA-N 1 2 325.416 2.098 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000968708611 1221506818 /nfs/dbraw/zinc/50/68/18/1221506818.db2.gz CPXRFGFEMZHLJA-DYVFJYSZSA-N 1 2 337.427 2.230 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000968708611 1221506820 /nfs/dbraw/zinc/50/68/20/1221506820.db2.gz CPXRFGFEMZHLJA-DYVFJYSZSA-N 1 2 337.427 2.230 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CCCCO3)C2)c(F)c1 ZINC001007120055 1222101398 /nfs/dbraw/zinc/10/13/98/1222101398.db2.gz JQQZFGJBIBDVQK-AEFFLSMTSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CCCCO3)C2)c(F)c1 ZINC001007120055 1222101401 /nfs/dbraw/zinc/10/14/01/1222101401.db2.gz JQQZFGJBIBDVQK-AEFFLSMTSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ncccc3O)C2)cc1 ZINC001007189236 1222125825 /nfs/dbraw/zinc/12/58/25/1222125825.db2.gz LFAKJBLPTJJILX-MRXNPFEDSA-N 1 2 336.395 2.053 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ncccc3O)C2)cc1 ZINC001007189236 1222125826 /nfs/dbraw/zinc/12/58/26/1222125826.db2.gz LFAKJBLPTJJILX-MRXNPFEDSA-N 1 2 336.395 2.053 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001007565102 1222296422 /nfs/dbraw/zinc/29/64/22/1222296422.db2.gz YFTYMSWUTBWZQI-LBPRGKRZSA-N 1 2 336.823 2.006 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001007565102 1222296426 /nfs/dbraw/zinc/29/64/26/1222296426.db2.gz YFTYMSWUTBWZQI-LBPRGKRZSA-N 1 2 336.823 2.006 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001016161359 1226152538 /nfs/dbraw/zinc/15/25/38/1226152538.db2.gz TZOYJFIOOBAUFW-MRXNPFEDSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001016161359 1226152542 /nfs/dbraw/zinc/15/25/42/1226152542.db2.gz TZOYJFIOOBAUFW-MRXNPFEDSA-N 1 2 345.406 2.439 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001008888664 1223068586 /nfs/dbraw/zinc/06/85/86/1223068586.db2.gz RBYNGLIYSYAMJH-QGZVFWFLSA-N 1 2 337.427 2.293 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001008888664 1223068590 /nfs/dbraw/zinc/06/85/90/1223068590.db2.gz RBYNGLIYSYAMJH-QGZVFWFLSA-N 1 2 337.427 2.293 20 30 EEEDLO C=C(Cl)CN1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001009184474 1223169208 /nfs/dbraw/zinc/16/92/08/1223169208.db2.gz WVINTAJAEAHJPZ-CQSZACIVSA-N 1 2 345.834 2.214 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)n1C ZINC001010163156 1223582685 /nfs/dbraw/zinc/58/26/85/1223582685.db2.gz AUXJAMGYRUPHER-INIZCTEOSA-N 1 2 340.402 2.349 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)n1C ZINC001010163156 1223582686 /nfs/dbraw/zinc/58/26/86/1223582686.db2.gz AUXJAMGYRUPHER-INIZCTEOSA-N 1 2 340.402 2.349 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3ccncc3F)C2)ccc1F ZINC001010418557 1223712116 /nfs/dbraw/zinc/71/21/16/1223712116.db2.gz MNIDHPKWYLDRPB-CQSZACIVSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)c3ccncc3F)C2)ccc1F ZINC001010418557 1223712117 /nfs/dbraw/zinc/71/21/17/1223712117.db2.gz MNIDHPKWYLDRPB-CQSZACIVSA-N 1 2 342.349 2.236 20 30 EEEDLO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1)n1cccc1 ZINC001010567483 1223787116 /nfs/dbraw/zinc/78/71/16/1223787116.db2.gz PJPWCMRWDUJJAA-YOEHRIQHSA-N 1 2 340.402 2.451 20 30 EEEDLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1)n1cccc1 ZINC001010567483 1223787118 /nfs/dbraw/zinc/78/71/18/1223787118.db2.gz PJPWCMRWDUJJAA-YOEHRIQHSA-N 1 2 340.402 2.451 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001010816048 1223922028 /nfs/dbraw/zinc/92/20/28/1223922028.db2.gz YQMTZEZKGKUXNW-SFHVURJKSA-N 1 2 344.459 2.006 20 30 EEEDLO C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1Nc1ccc(C#N)nc1 ZINC001067168409 1226784487 /nfs/dbraw/zinc/78/44/87/1226784487.db2.gz JZGDOUYXYQBSLR-XJKSGUPXSA-N 1 2 346.394 2.174 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cn2c(n1)CCCC2 ZINC001014616850 1226845954 /nfs/dbraw/zinc/84/59/54/1226845954.db2.gz LHPVAHHRVBOVNS-SFHVURJKSA-N 1 2 348.450 2.075 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cn2c(n1)CCCC2 ZINC001014616850 1226845960 /nfs/dbraw/zinc/84/59/60/1226845960.db2.gz LHPVAHHRVBOVNS-SFHVURJKSA-N 1 2 348.450 2.075 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cn1 ZINC001058267214 1248778366 /nfs/dbraw/zinc/77/83/66/1248778366.db2.gz RKSHRTTZBSQPJH-HNNXBMFYSA-N 1 2 346.394 2.228 20 30 EEEDLO Cc1cncc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)c1 ZINC001017489807 1227462811 /nfs/dbraw/zinc/46/28/11/1227462811.db2.gz IAGQJBPXGNSLAE-HDICACEKSA-N 1 2 335.411 2.079 20 30 EEEDLO Cc1cncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)c1 ZINC001017489807 1227462814 /nfs/dbraw/zinc/46/28/14/1227462814.db2.gz IAGQJBPXGNSLAE-HDICACEKSA-N 1 2 335.411 2.079 20 30 EEEDLO CCc1noc(C)c1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017540682 1227504217 /nfs/dbraw/zinc/50/42/17/1227504217.db2.gz NVJXLNXOCBYVTQ-IYBDPMFKSA-N 1 2 327.428 2.134 20 30 EEEDLO CCc1noc(C)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017540682 1227504224 /nfs/dbraw/zinc/50/42/24/1227504224.db2.gz NVJXLNXOCBYVTQ-IYBDPMFKSA-N 1 2 327.428 2.134 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001054677736 1248849467 /nfs/dbraw/zinc/84/94/67/1248849467.db2.gz FZHHMMWPNKCRFC-BXKDBHETSA-N 1 2 326.828 2.093 20 30 EEEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038265660 1229711809 /nfs/dbraw/zinc/71/18/09/1229711809.db2.gz DXWXSKNNSZLBFD-FHWLQOOXSA-N 1 2 341.455 2.310 20 30 EEEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038265660 1229711813 /nfs/dbraw/zinc/71/18/13/1229711813.db2.gz DXWXSKNNSZLBFD-FHWLQOOXSA-N 1 2 341.455 2.310 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cnc(C3CC3)o2)cc1 ZINC001038355150 1229764918 /nfs/dbraw/zinc/76/49/18/1229764918.db2.gz SCIUABHGWRDEPN-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cnc(C3CC3)o2)cc1 ZINC001038355150 1229764920 /nfs/dbraw/zinc/76/49/20/1229764920.db2.gz SCIUABHGWRDEPN-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2[C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC001038668528 1229963900 /nfs/dbraw/zinc/96/39/00/1229963900.db2.gz VANYWYFPGBKTOM-IAGOWNOFSA-N 1 2 347.503 2.323 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2[C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC001038668528 1229963902 /nfs/dbraw/zinc/96/39/02/1229963902.db2.gz VANYWYFPGBKTOM-IAGOWNOFSA-N 1 2 347.503 2.323 20 30 EEEDLO CCn1nc(C)cc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038729948 1230002668 /nfs/dbraw/zinc/00/26/68/1230002668.db2.gz VQXOJYDDSVTAOA-KRWDZBQOSA-N 1 2 337.427 2.087 20 30 EEEDLO CCn1nc(C)cc1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038729948 1230002672 /nfs/dbraw/zinc/00/26/72/1230002672.db2.gz VQXOJYDDSVTAOA-KRWDZBQOSA-N 1 2 337.427 2.087 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cncc(C)c1 ZINC001038807100 1230070800 /nfs/dbraw/zinc/07/08/00/1230070800.db2.gz GLBJJJRZQSLALE-BZSNNMDCSA-N 1 2 329.444 2.062 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cncc(C)c1 ZINC001038807100 1230070802 /nfs/dbraw/zinc/07/08/02/1230070802.db2.gz GLBJJJRZQSLALE-BZSNNMDCSA-N 1 2 329.444 2.062 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1scnc1C ZINC001038809018 1230072227 /nfs/dbraw/zinc/07/22/27/1230072227.db2.gz VVRPGKTYQSPDML-DZKIICNBSA-N 1 2 335.473 2.123 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1scnc1C ZINC001038809018 1230072229 /nfs/dbraw/zinc/07/22/29/1230072229.db2.gz VVRPGKTYQSPDML-DZKIICNBSA-N 1 2 335.473 2.123 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnn3c2CCCC3)cc1 ZINC001038891057 1230138741 /nfs/dbraw/zinc/13/87/41/1230138741.db2.gz NQBAUWMZNJPWMP-KRWDZBQOSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnn3c2CCCC3)cc1 ZINC001038891057 1230138742 /nfs/dbraw/zinc/13/87/42/1230138742.db2.gz NQBAUWMZNJPWMP-KRWDZBQOSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CC23CCOCC3)s1 ZINC001039101642 1230307190 /nfs/dbraw/zinc/30/71/90/1230307190.db2.gz DUXCMHYXVBRKET-CZUORRHYSA-N 1 2 345.468 2.127 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CC23CCOCC3)s1 ZINC001039101642 1230307195 /nfs/dbraw/zinc/30/71/95/1230307195.db2.gz DUXCMHYXVBRKET-CZUORRHYSA-N 1 2 345.468 2.127 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)c(C)o1 ZINC001039373469 1230560403 /nfs/dbraw/zinc/56/04/03/1230560403.db2.gz WBENFNCTLAZUGD-SJORKVTESA-N 1 2 327.428 2.270 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)c(C)o1 ZINC001039373469 1230560406 /nfs/dbraw/zinc/56/04/06/1230560406.db2.gz WBENFNCTLAZUGD-SJORKVTESA-N 1 2 327.428 2.270 20 30 EEEDLO CC1(Nc2cccc(F)c2C#N)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001067298530 1230632809 /nfs/dbraw/zinc/63/28/09/1230632809.db2.gz QOQCPWQOCQAJHH-UHFFFAOYSA-N 1 2 341.390 2.456 20 30 EEEDLO Cn1nccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001039529866 1230679345 /nfs/dbraw/zinc/67/93/45/1230679345.db2.gz ZYCGGIXPLYDNFN-HDICACEKSA-N 1 2 349.438 2.171 20 30 EEEDLO Cn1nccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001039529866 1230679346 /nfs/dbraw/zinc/67/93/46/1230679346.db2.gz ZYCGGIXPLYDNFN-HDICACEKSA-N 1 2 349.438 2.171 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](CNc3cc[nH+]c(C)n3)C2)nc1 ZINC001039875155 1230877009 /nfs/dbraw/zinc/87/70/09/1230877009.db2.gz KVNKIONTFKOEST-YOEHRIQHSA-N 1 2 349.438 2.372 20 30 EEEDLO C[C@H]1[C@@H](Nc2cccc(F)c2C#N)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001040260084 1231137902 /nfs/dbraw/zinc/13/79/02/1231137902.db2.gz BOZCURYUEAZCJZ-NHYWBVRUSA-N 1 2 327.363 2.064 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1nnc(C)o1)C2 ZINC001040328363 1231172386 /nfs/dbraw/zinc/17/23/86/1231172386.db2.gz LJGMOSOBFPOKQV-GOSISDBHSA-N 1 2 332.448 2.405 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1nnc(C)o1)C2 ZINC001040328363 1231172388 /nfs/dbraw/zinc/17/23/88/1231172388.db2.gz LJGMOSOBFPOKQV-GOSISDBHSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cnn(C)n1)C2 ZINC001040368340 1231189031 /nfs/dbraw/zinc/18/90/31/1231189031.db2.gz FMUWPCSLYZDYCM-RTBURBONSA-N 1 2 345.491 2.232 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cnn(C)n1)C2 ZINC001040368340 1231189034 /nfs/dbraw/zinc/18/90/34/1231189034.db2.gz FMUWPCSLYZDYCM-RTBURBONSA-N 1 2 345.491 2.232 20 30 EEEDLO N#CCN1CCC2(CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)CC1 ZINC001040903288 1231401304 /nfs/dbraw/zinc/40/13/04/1231401304.db2.gz BRENZUCRWZQVNJ-UHFFFAOYSA-N 1 2 349.438 2.324 20 30 EEEDLO Cc1cc(NC[C@H]2CN(C(=O)[C@H](C)C#N)CCCO2)nc(C(C)C)[nH+]1 ZINC001041481366 1231561936 /nfs/dbraw/zinc/56/19/36/1231561936.db2.gz GVXAVNFTRJPZFH-HIFRSBDPSA-N 1 2 345.447 2.098 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(CC[N@H+](Cc3nc(C)no3)C2)C1 ZINC001041535700 1231585743 /nfs/dbraw/zinc/58/57/43/1231585743.db2.gz JSGDOQLOAOYUAU-SFHVURJKSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(CC[N@@H+](Cc3nc(C)no3)C2)C1 ZINC001041535700 1231585744 /nfs/dbraw/zinc/58/57/44/1231585744.db2.gz JSGDOQLOAOYUAU-SFHVURJKSA-N 1 2 332.448 2.405 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3cc[nH+]c(C)n3)C23CCC3)cn1 ZINC001041597129 1231616353 /nfs/dbraw/zinc/61/63/53/1231616353.db2.gz GMBMVPOIMVSIBC-IRXDYDNUSA-N 1 2 347.422 2.314 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(CC[N@@H+]([C@H](C)c4nnc(C)[nH]4)C3)C2)C1 ZINC001041657868 1231640282 /nfs/dbraw/zinc/64/02/82/1231640282.db2.gz UEIRIJFIHQNAOY-AUUYWEPGSA-N 1 2 343.475 2.455 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(CC[N@H+]([C@H](C)c4nnc(C)[nH]4)C3)C2)C1 ZINC001041657868 1231640283 /nfs/dbraw/zinc/64/02/83/1231640283.db2.gz UEIRIJFIHQNAOY-AUUYWEPGSA-N 1 2 343.475 2.455 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cnon3)[C@H]2C1 ZINC001042075239 1231870927 /nfs/dbraw/zinc/87/09/27/1231870927.db2.gz BDMJPFPZYYDDSP-OCCSQVGLSA-N 1 2 338.839 2.271 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnon3)[C@H]2C1 ZINC001042075239 1231870928 /nfs/dbraw/zinc/87/09/28/1231870928.db2.gz BDMJPFPZYYDDSP-OCCSQVGLSA-N 1 2 338.839 2.271 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(-c4nnc[nH]4)cc3)C[C@H]21 ZINC001042299959 1232014323 /nfs/dbraw/zinc/01/43/23/1232014323.db2.gz SKWPCUOAEMEWGH-MAUKXSAKSA-N 1 2 349.438 2.031 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(-c4nnc[nH]4)cc3)C[C@H]21 ZINC001042299959 1232014325 /nfs/dbraw/zinc/01/43/25/1232014325.db2.gz SKWPCUOAEMEWGH-MAUKXSAKSA-N 1 2 349.438 2.031 20 30 EEEDLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CN(Cc2ccccc2C#N)C1 ZINC001043092251 1232259547 /nfs/dbraw/zinc/25/95/47/1232259547.db2.gz ROTJXISTLBCWAI-UHFFFAOYSA-N 1 2 345.406 2.391 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](C[C@@H](OC)c3ccccc3)C2)c1 ZINC001043822528 1232592512 /nfs/dbraw/zinc/59/25/12/1232592512.db2.gz UHQKWABHHLTSBH-HXUWFJFHSA-N 1 2 349.434 2.207 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C)n(C)n2)C1 ZINC001095983374 1233063895 /nfs/dbraw/zinc/06/38/95/1233063895.db2.gz XSUODCQENSBGLG-IKGGRYGDSA-N 1 2 328.460 2.306 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C)n(C)n2)C1 ZINC001095983374 1233063897 /nfs/dbraw/zinc/06/38/97/1233063897.db2.gz XSUODCQENSBGLG-IKGGRYGDSA-N 1 2 328.460 2.306 20 30 EEEDLO Cc1nc(N2CCC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)CC2)cc[nH+]1 ZINC001067594405 1249291113 /nfs/dbraw/zinc/29/11/13/1249291113.db2.gz GOZAOAUYJJCFCP-MRXNPFEDSA-N 1 2 338.415 2.116 20 30 EEEDLO C#Cc1cncc(C(=O)NC2(C)CC[NH+](Cc3coc(C)n3)CC2)c1 ZINC001045550797 1233811839 /nfs/dbraw/zinc/81/18/39/1233811839.db2.gz DNRLAHSOUGYWEV-UHFFFAOYSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1ccc(C(=O)NC2(C)CC[NH+]([C@@H](C)c3ncccn3)CC2)cn1 ZINC001045623194 1233865206 /nfs/dbraw/zinc/86/52/06/1233865206.db2.gz IBMGZQQWISKNKG-HNNXBMFYSA-N 1 2 349.438 2.198 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001046374085 1234722622 /nfs/dbraw/zinc/72/26/22/1234722622.db2.gz LJXZOAGUOOMYBL-SFHVURJKSA-N 1 2 344.415 2.065 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(OC)no2)C1 ZINC001046374085 1234722625 /nfs/dbraw/zinc/72/26/25/1234722625.db2.gz LJXZOAGUOOMYBL-SFHVURJKSA-N 1 2 344.415 2.065 20 30 EEEDLO N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)c3cccc4[nH+]ccn43)C2)nc1 ZINC001046513255 1234889761 /nfs/dbraw/zinc/88/97/61/1234889761.db2.gz FWQIJDJPUBDPMN-GASCZTMLSA-N 1 2 346.394 2.221 20 30 EEEDLO Cc1nocc1C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046590754 1234970590 /nfs/dbraw/zinc/97/05/90/1234970590.db2.gz QRFNNPDOWOBXMQ-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nocc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046590754 1234970593 /nfs/dbraw/zinc/97/05/93/1234970593.db2.gz QRFNNPDOWOBXMQ-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc3c(cn2)OCCC3)C1 ZINC001046804814 1235204341 /nfs/dbraw/zinc/20/43/41/1235204341.db2.gz GTGOPBHILILZMA-KRWDZBQOSA-N 1 2 335.835 2.353 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc3c(cn2)OCCC3)C1 ZINC001046804814 1235204343 /nfs/dbraw/zinc/20/43/43/1235204343.db2.gz GTGOPBHILILZMA-KRWDZBQOSA-N 1 2 335.835 2.353 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC001046837477 1235235336 /nfs/dbraw/zinc/23/53/36/1235235336.db2.gz BLSAICFXBXOLQV-MRXNPFEDSA-N 1 2 333.823 2.213 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnc3n[nH]c(C)c3c2)C1 ZINC001046837477 1235235338 /nfs/dbraw/zinc/23/53/38/1235235338.db2.gz BLSAICFXBXOLQV-MRXNPFEDSA-N 1 2 333.823 2.213 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccnnc2C)C1 ZINC001046953268 1235349288 /nfs/dbraw/zinc/34/92/88/1235349288.db2.gz BVTFIJGEHDNGJX-LBPRGKRZSA-N 1 2 344.793 2.225 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccnnc2C)C1 ZINC001046953268 1235349289 /nfs/dbraw/zinc/34/92/89/1235349289.db2.gz BVTFIJGEHDNGJX-LBPRGKRZSA-N 1 2 344.793 2.225 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001046981729 1235388963 /nfs/dbraw/zinc/38/89/63/1235388963.db2.gz UTXOHFTZRNEPHN-SYQHCUMBSA-N 1 2 348.821 2.380 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001046981729 1235388966 /nfs/dbraw/zinc/38/89/66/1235388966.db2.gz UTXOHFTZRNEPHN-SYQHCUMBSA-N 1 2 348.821 2.380 20 30 EEEDLO CC(C)[NH+]1CCN(CCCC(=O)Nc2cc(C#N)ccc2O)CC1 ZINC000901225287 1235418338 /nfs/dbraw/zinc/41/83/38/1235418338.db2.gz ILBUAOAVBOLCCH-UHFFFAOYSA-N 1 2 330.432 2.009 20 30 EEEDLO Cc1ccccc1C(=O)N(C)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047289376 1235815504 /nfs/dbraw/zinc/81/55/04/1235815504.db2.gz BQVIFKCQSVQKEM-PMACEKPBSA-N 1 2 349.434 2.184 20 30 EEEDLO Cc1ccccc1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047289376 1235815519 /nfs/dbraw/zinc/81/55/19/1235815519.db2.gz BQVIFKCQSVQKEM-PMACEKPBSA-N 1 2 349.434 2.184 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096177571 1235822717 /nfs/dbraw/zinc/82/27/17/1235822717.db2.gz UILUOYYRFYNUEQ-KXBFYZLASA-N 1 2 346.475 2.321 20 30 EEEDLO CN(C(=O)C1CC(C)(C)C1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047369120 1235925209 /nfs/dbraw/zinc/92/52/09/1235925209.db2.gz KHEBFJCBGIMZBD-HOTGVXAUSA-N 1 2 347.484 2.059 20 30 EEEDLO CN(C(=O)C1CC(C)(C)C1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047369120 1235925211 /nfs/dbraw/zinc/92/52/11/1235925211.db2.gz KHEBFJCBGIMZBD-HOTGVXAUSA-N 1 2 347.484 2.059 20 30 EEEDLO C=C(C)[C@H](CC(=O)N[C@H]1CCCN(c2cc[nH+]c(C)n2)C1)OCC ZINC001096208319 1236170495 /nfs/dbraw/zinc/17/04/95/1236170495.db2.gz JYZXQHXEBBHUML-HOTGVXAUSA-N 1 2 332.448 2.241 20 30 EEEDLO Cc1nc(N2CCC3(C[C@@H](C)N(C(=O)[C@H](C)C#N)C3)CC2)cc[nH+]1 ZINC001047631366 1236316391 /nfs/dbraw/zinc/31/63/91/1236316391.db2.gz UDRVWMWEQZTZTI-ZIAGYGMSSA-N 1 2 327.432 2.152 20 30 EEEDLO 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/nfs/dbraw/zinc/79/41/00/1240794100.db2.gz IMBXAUGYSHSNCO-LSDHHAIUSA-N 1 2 341.440 2.222 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC12CCN(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001096520716 1240846901 /nfs/dbraw/zinc/84/69/01/1240846901.db2.gz RZXHEUMMSRCRNY-INIZCTEOSA-N 1 2 344.459 2.080 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@H]2C[C@H](C)CO2)CC1 ZINC001000972296 1241346301 /nfs/dbraw/zinc/34/63/01/1241346301.db2.gz WWMXUNLYZNDVFS-SMDDNHRTSA-N 1 2 343.265 2.068 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@H](C)CO2)CC1 ZINC001000972296 1241346316 /nfs/dbraw/zinc/34/63/16/1241346316.db2.gz WWMXUNLYZNDVFS-SMDDNHRTSA-N 1 2 343.265 2.068 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2Cc3ccncc3C2)CC1 ZINC001001141459 1241717129 /nfs/dbraw/zinc/71/71/29/1241717129.db2.gz IGOMRNVCGLULGI-MRXNPFEDSA-N 1 2 331.847 2.297 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2Cc3ccncc3C2)CC1 ZINC001001141459 1241717134 /nfs/dbraw/zinc/71/71/34/1241717134.db2.gz IGOMRNVCGLULGI-MRXNPFEDSA-N 1 2 331.847 2.297 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2cn(C)nn2)CC1 ZINC001049696488 1241904097 /nfs/dbraw/zinc/90/40/97/1241904097.db2.gz YQKPLIJZPNQSMH-ZWKOTPCHSA-N 1 2 343.475 2.127 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2cn(C)nn2)CC1 ZINC001049696488 1241904112 /nfs/dbraw/zinc/90/41/12/1241904112.db2.gz YQKPLIJZPNQSMH-ZWKOTPCHSA-N 1 2 343.475 2.127 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2nccn2C)C1 ZINC001049710901 1241953779 /nfs/dbraw/zinc/95/37/79/1241953779.db2.gz ZEFYAAPZHIAESE-HOTGVXAUSA-N 1 2 328.460 2.342 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2nccn2C)C1 ZINC001049710901 1241953793 /nfs/dbraw/zinc/95/37/93/1241953793.db2.gz ZEFYAAPZHIAESE-HOTGVXAUSA-N 1 2 328.460 2.342 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1conc1COC ZINC001049843528 1242388818 /nfs/dbraw/zinc/38/88/18/1242388818.db2.gz KMHLQLAWOFAGRV-HUUCEWRRSA-N 1 2 339.823 2.252 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1conc1COC ZINC001049843528 1242388829 /nfs/dbraw/zinc/38/88/29/1242388829.db2.gz KMHLQLAWOFAGRV-HUUCEWRRSA-N 1 2 339.823 2.252 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001073417615 1242451226 /nfs/dbraw/zinc/45/12/26/1242451226.db2.gz VACDXVGDXRNHNI-OAHLLOKOSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001073417615 1242451228 /nfs/dbraw/zinc/45/12/28/1242451228.db2.gz VACDXVGDXRNHNI-OAHLLOKOSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(C)nn(C)c1F ZINC001049871726 1242485654 /nfs/dbraw/zinc/48/56/54/1242485654.db2.gz SFJUAWZUBDTZRE-CHWSQXEVSA-N 1 2 340.830 2.299 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(C)nn(C)c1F ZINC001049871726 1242485663 /nfs/dbraw/zinc/48/56/63/1242485663.db2.gz SFJUAWZUBDTZRE-CHWSQXEVSA-N 1 2 340.830 2.299 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001073466459 1242520468 /nfs/dbraw/zinc/52/04/68/1242520468.db2.gz GVRVXHSGKUYZGY-CVEARBPZSA-N 1 2 346.475 2.229 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cn(C(C)C)cn2)C1 ZINC001073713242 1242671755 /nfs/dbraw/zinc/67/17/55/1242671755.db2.gz WUMXQDWQDJGLMM-CQSZACIVSA-N 1 2 340.855 2.037 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cn(C(C)C)cn2)C1 ZINC001073713242 1242671770 /nfs/dbraw/zinc/67/17/70/1242671770.db2.gz WUMXQDWQDJGLMM-CQSZACIVSA-N 1 2 340.855 2.037 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001073966859 1242826568 /nfs/dbraw/zinc/82/65/68/1242826568.db2.gz ZOZDMDNTAZRGKG-DZGCQCFKSA-N 1 2 346.475 2.216 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc2n(n1)CCCC2 ZINC001073973965 1242840340 /nfs/dbraw/zinc/84/03/40/1242840340.db2.gz MFQWBZFAPANYLC-MAUKXSAKSA-N 1 2 343.475 2.192 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc2n(n1)CCCC2 ZINC001073973965 1242840350 /nfs/dbraw/zinc/84/03/50/1242840350.db2.gz MFQWBZFAPANYLC-MAUKXSAKSA-N 1 2 343.475 2.192 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4[nH]cnc4C3)[C@@H]2C1 ZINC001050179961 1243057109 /nfs/dbraw/zinc/05/71/09/1243057109.db2.gz UENQYHDLUWBLCJ-JKIFEVAISA-N 1 2 348.878 2.190 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4[nH]cnc4C3)[C@@H]2C1 ZINC001050179961 1243057117 /nfs/dbraw/zinc/05/71/17/1243057117.db2.gz UENQYHDLUWBLCJ-JKIFEVAISA-N 1 2 348.878 2.190 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)[C@@H]2C1 ZINC001050179961 1243057127 /nfs/dbraw/zinc/05/71/27/1243057127.db2.gz UENQYHDLUWBLCJ-JKIFEVAISA-N 1 2 348.878 2.190 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)[C@@H]2C1 ZINC001050179961 1243057135 /nfs/dbraw/zinc/05/71/35/1243057135.db2.gz UENQYHDLUWBLCJ-JKIFEVAISA-N 1 2 348.878 2.190 20 30 EEEDLO N#Cc1ccc(N[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C2CC2)nc1 ZINC001096851416 1243370206 /nfs/dbraw/zinc/37/02/06/1243370206.db2.gz ILKWYZIWIIIQIG-KRWDZBQOSA-N 1 2 346.394 2.450 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001097067389 1243651704 /nfs/dbraw/zinc/65/17/04/1243651704.db2.gz NWOZLMPDCLGCOM-XYPYZODXSA-N 1 2 348.838 2.201 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCCCN1c1[nH+]cnc2c1cnn2C ZINC001097449808 1244169221 /nfs/dbraw/zinc/16/92/21/1244169221.db2.gz KAANXQDYAVCDMH-ZDUSSCGKSA-N 1 2 342.447 2.051 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccn3nccc13)C2 ZINC001097431787 1244181407 /nfs/dbraw/zinc/18/14/07/1244181407.db2.gz OMJSMRAEQLIQPW-XPKDYRNWSA-N 1 2 330.819 2.422 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccn3nccc13)C2 ZINC001097431787 1244181410 /nfs/dbraw/zinc/18/14/10/1244181410.db2.gz OMJSMRAEQLIQPW-XPKDYRNWSA-N 1 2 330.819 2.422 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)cc(=O)oc1C)C2 ZINC001097490647 1244258855 /nfs/dbraw/zinc/25/88/55/1244258855.db2.gz JDOCOGPMDHLODF-MCIONIFRSA-N 1 2 336.819 2.344 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)cc(=O)oc1C)C2 ZINC001097490647 1244258865 /nfs/dbraw/zinc/25/88/65/1244258865.db2.gz JDOCOGPMDHLODF-MCIONIFRSA-N 1 2 336.819 2.344 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050743624 1244265798 /nfs/dbraw/zinc/26/57/98/1244265798.db2.gz ZZLCNIGXPXESOF-CABCVRRESA-N 1 2 346.475 2.298 20 30 EEEDLO N#Cc1ccc(NC2CCC(NC(=O)CCn3cc[nH+]c3)CC2)nc1 ZINC001097636813 1244463836 /nfs/dbraw/zinc/46/38/36/1244463836.db2.gz URUBJISOWHXQBJ-UHFFFAOYSA-N 1 2 338.415 2.079 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C2CC2)nn1CC ZINC001050971433 1244756326 /nfs/dbraw/zinc/75/63/26/1244756326.db2.gz VZPSCNUKTCZWSH-INIZCTEOSA-N 1 2 346.475 2.177 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C2CC2)nn1CC ZINC001050971433 1244756332 /nfs/dbraw/zinc/75/63/32/1244756332.db2.gz VZPSCNUKTCZWSH-INIZCTEOSA-N 1 2 346.475 2.177 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C(C)C)nn1CC ZINC001051005736 1244828989 /nfs/dbraw/zinc/82/89/89/1244828989.db2.gz DSBVQKJHDZARHV-OAHLLOKOSA-N 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1245362141 /nfs/dbraw/zinc/36/21/41/1245362141.db2.gz WOIKOLYHHBNSMD-MRXNPFEDSA-N 1 2 347.459 2.186 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C)nc1OCC ZINC001051185586 1245362144 /nfs/dbraw/zinc/36/21/44/1245362144.db2.gz WOIKOLYHHBNSMD-MRXNPFEDSA-N 1 2 347.459 2.186 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(C2CCCC2)n1 ZINC001051189399 1245367470 /nfs/dbraw/zinc/36/74/70/1245367470.db2.gz NWGGYFUXCSGGLK-INIZCTEOSA-N 1 2 344.459 2.141 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(C2CCCC2)n1 ZINC001051189399 1245367474 /nfs/dbraw/zinc/36/74/74/1245367474.db2.gz NWGGYFUXCSGGLK-INIZCTEOSA-N 1 2 344.459 2.141 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(CCCC)c1C ZINC001051200746 1245380069 /nfs/dbraw/zinc/38/00/69/1245380069.db2.gz CKEHQLUWDOZHDV-QGZVFWFLSA-N 1 2 348.491 2.388 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(CCCC)c1C ZINC001051200746 1245380072 /nfs/dbraw/zinc/38/00/72/1245380072.db2.gz CKEHQLUWDOZHDV-QGZVFWFLSA-N 1 2 348.491 2.388 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCc2sc(C)nc21 ZINC001051205592 1245388898 /nfs/dbraw/zinc/38/88/98/1245388898.db2.gz FJUVUBVPPZLIDJ-HUUCEWRRSA-N 1 2 349.500 2.265 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCc2sc(C)nc21 ZINC001051205592 1245388905 /nfs/dbraw/zinc/38/89/05/1245388905.db2.gz FJUVUBVPPZLIDJ-HUUCEWRRSA-N 1 2 349.500 2.265 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001051228664 1245415055 /nfs/dbraw/zinc/41/50/55/1245415055.db2.gz MOIVPOODNGOWMX-DOTOQJQBSA-N 1 2 334.847 2.373 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001051228664 1245415059 /nfs/dbraw/zinc/41/50/59/1245415059.db2.gz MOIVPOODNGOWMX-DOTOQJQBSA-N 1 2 334.847 2.373 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2nccnc2c1 ZINC001051240252 1245429285 /nfs/dbraw/zinc/42/92/85/1245429285.db2.gz MSYXCJQTZGWBNM-MRXNPFEDSA-N 1 2 340.427 2.027 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2nccnc2c1 ZINC001051240252 1245429287 /nfs/dbraw/zinc/42/92/87/1245429287.db2.gz MSYXCJQTZGWBNM-MRXNPFEDSA-N 1 2 340.427 2.027 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C)n(C(C)(C)C)n1 ZINC001051247321 1245436363 /nfs/dbraw/zinc/43/63/63/1245436363.db2.gz ALBHVHZZTKYJBG-MRXNPFEDSA-N 1 2 348.491 2.343 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C)n(C(C)(C)C)n1 ZINC001051247321 1245436367 /nfs/dbraw/zinc/43/63/67/1245436367.db2.gz ALBHVHZZTKYJBG-MRXNPFEDSA-N 1 2 348.491 2.343 20 30 EEEDLO CCCN(CCNC(=O)C#CC1CC1)c1cc(C)[nH+]c(C2CC2)n1 ZINC001101138519 1245443473 /nfs/dbraw/zinc/44/34/73/1245443473.db2.gz YJRGLSDIBUMGMV-UHFFFAOYSA-N 1 2 326.444 2.408 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001051289389 1245483677 /nfs/dbraw/zinc/48/36/77/1245483677.db2.gz UIODPFJGIHPGIK-HOTGVXAUSA-N 1 2 346.475 2.229 20 30 EEEDLO CCCN(CCNC(=O)c1cccc2[nH+]ccn21)c1ccncc1C#N ZINC001101205136 1245519700 /nfs/dbraw/zinc/51/97/00/1245519700.db2.gz YWXVGPKVPMXGCU-UHFFFAOYSA-N 1 2 348.410 2.247 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001051335926 1245569527 /nfs/dbraw/zinc/56/95/27/1245569527.db2.gz WRZQJBWQVXGXSO-JKSUJKDBSA-N 1 2 346.475 2.062 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)NCCN(c1cccc(F)c1C#N)C1CC1 ZINC001101373594 1245733279 /nfs/dbraw/zinc/73/32/79/1245733279.db2.gz UHXDBGJSYHFWHT-UHFFFAOYSA-N 1 2 341.390 2.057 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3cnn(CC)n3)C[C@@]2(C)C1 ZINC001101378306 1245738947 /nfs/dbraw/zinc/73/89/47/1245738947.db2.gz VZEWUZXBFQUTKL-BEFAXECRSA-N 1 2 345.491 2.181 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3cnn(CC)n3)C[C@@]2(C)C1 ZINC001101378306 1245738954 /nfs/dbraw/zinc/73/89/54/1245738954.db2.gz VZEWUZXBFQUTKL-BEFAXECRSA-N 1 2 345.491 2.181 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]([C@H](C)NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001051514086 1245808794 /nfs/dbraw/zinc/80/87/94/1245808794.db2.gz CERNSFVGTBUHBA-GOEBONIOSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]([C@H](C)NC(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001051537101 1245852270 /nfs/dbraw/zinc/85/22/70/1245852270.db2.gz AAMGTUSFHQNGJQ-GJZGRUSLSA-N 1 2 344.459 2.052 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001053109627 1245932011 /nfs/dbraw/zinc/93/20/11/1245932011.db2.gz SHHAGVYYTKDPKB-DZGCQCFKSA-N 1 2 346.475 2.074 20 30 EEEDLO CCCC(=O)N[C@@H]1CC2(C[NH+](Cc3cccc(C#N)c3)C2)n2ccnc21 ZINC001101602565 1246014557 /nfs/dbraw/zinc/01/45/57/1246014557.db2.gz JYJWOJVGARTRFN-QGZVFWFLSA-N 1 2 349.438 2.327 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](CC)CC(F)F)c1nccn12 ZINC001101630530 1246060293 /nfs/dbraw/zinc/06/02/93/1246060293.db2.gz JMABSVHMWBOTBS-QWHCGFSZSA-N 1 2 338.402 2.322 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCO[C@@H](C[NH2+][C@H](C)c2csnn2)C1 ZINC001051752193 1246072404 /nfs/dbraw/zinc/07/24/04/1246072404.db2.gz FWLONGXTDDLXMW-OLZOCXBDSA-N 1 2 338.477 2.018 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CCC3CCCC3)C2)CC1 ZINC001051975007 1246331891 /nfs/dbraw/zinc/33/18/91/1246331891.db2.gz MMGGSHBAVHGASA-LJQANCHMSA-N 1 2 331.504 2.199 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3cccc(C)c3)C2)CC1 ZINC001051975303 1246333060 /nfs/dbraw/zinc/33/30/60/1246333060.db2.gz RNCQJZFUDWUSNY-IBGZPJMESA-N 1 2 327.472 2.403 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C3C(C)(C)C3(C)C)C2)CC1 ZINC001052004528 1246365100 /nfs/dbraw/zinc/36/51/00/1246365100.db2.gz NAVDTIVOEWJNCH-INIZCTEOSA-N 1 2 333.520 2.463 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)C3CC3)C2)CC1 ZINC001052006933 1246367688 /nfs/dbraw/zinc/36/76/88/1246367688.db2.gz TWPYTQXSLPOWTP-ZBFHGGJFSA-N 1 2 325.884 2.004 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(Cl)cc3C)C2)CC1 ZINC001052077051 1246452313 /nfs/dbraw/zinc/45/23/13/1246452313.db2.gz NLPCNBFBNXEHRM-KRWDZBQOSA-N 1 2 345.874 2.114 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)CC1 ZINC001052078079 1246455224 /nfs/dbraw/zinc/45/52/24/1246455224.db2.gz ZDNLPBIQQMZFKS-BRWVUGGUSA-N 1 2 339.911 2.394 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3csc(C(C)C)n3)C2)CC1 ZINC001052096838 1246476527 /nfs/dbraw/zinc/47/65/27/1246476527.db2.gz QDFLQXGCWUYSFV-OAHLLOKOSA-N 1 2 348.516 2.285 20 30 EEEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[C@H](C)CC3)C2)CC1 ZINC001052110744 1246492374 /nfs/dbraw/zinc/49/23/74/1246492374.db2.gz WORLYMDLQMHBGA-FHWLQOOXSA-N 1 2 331.504 2.055 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(CF)cc3)C2)CC1 ZINC001052122024 1246507647 /nfs/dbraw/zinc/50/76/47/1246507647.db2.gz KWMJYEAHTVKDNF-LJQANCHMSA-N 1 2 343.446 2.012 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccoc1C(F)(F)F)O2 ZINC001053605357 1246520842 /nfs/dbraw/zinc/52/08/42/1246520842.db2.gz DSTKDCBTAGRWNX-LLVKDONJSA-N 1 2 344.333 2.448 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C)c(F)cc1F)O2 ZINC001053613901 1246534926 /nfs/dbraw/zinc/53/49/26/1246534926.db2.gz CIEXENGMXPXICX-ZDUSSCGKSA-N 1 2 336.382 2.422 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc(COC)c1)O2 ZINC001053623849 1246549549 /nfs/dbraw/zinc/54/95/49/1246549549.db2.gz BZWCCYZPOSZDIH-GOSISDBHSA-N 1 2 344.455 2.372 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1F)O2 ZINC001053674529 1246627827 /nfs/dbraw/zinc/62/78/27/1246627827.db2.gz QFWWVGCURYMXCL-HYVNUMGLSA-N 1 2 344.430 2.465 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3c(c1)CCC3)O2 ZINC001053696302 1246668553 /nfs/dbraw/zinc/66/85/53/1246668553.db2.gz FWODABHHBYEOTQ-SFHVURJKSA-N 1 2 326.440 2.325 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)[C@H]1CCCCO1)CO2 ZINC001053803949 1246814107 /nfs/dbraw/zinc/81/41/07/1246814107.db2.gz HEXIEUXJPFRHAB-HZPDHXFCSA-N 1 2 336.476 2.117 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C(C)(C)C)on1)CO2 ZINC001053868429 1246939697 /nfs/dbraw/zinc/93/96/97/1246939697.db2.gz LSKQCOJIRAXMGX-CYBMUJFWSA-N 1 2 333.432 2.121 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)cc(F)cc1C)CO2 ZINC001053889130 1246970827 /nfs/dbraw/zinc/97/08/27/1246970827.db2.gz BODPJRFSBVRFIY-INIZCTEOSA-N 1 2 330.403 2.039 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C(C)(C)C)oc1C)CO2 ZINC001053940225 1247038900 /nfs/dbraw/zinc/03/89/00/1247038900.db2.gz ZCVSAWCZYLYUIG-HNNXBMFYSA-N 1 2 344.455 2.482 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(Cl)ccc1C)CO2 ZINC001053960190 1247071560 /nfs/dbraw/zinc/07/15/60/1247071560.db2.gz QZOCAGKXEDAIDG-OAHLLOKOSA-N 1 2 332.831 2.245 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1oc(CCC)nc1C)CO2 ZINC001053982871 1247107284 /nfs/dbraw/zinc/10/72/84/1247107284.db2.gz QGBKRKXSRYVJPQ-AWEZNQCLSA-N 1 2 333.432 2.085 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C3CCCC3)no1)CO2 ZINC001054012021 1247145230 /nfs/dbraw/zinc/14/52/30/1247145230.db2.gz VGMRAOSYWFLETF-OAHLLOKOSA-N 1 2 345.443 2.481 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1ccc3ccccc31)CO2 ZINC001054011955 1247145377 /nfs/dbraw/zinc/14/53/77/1247145377.db2.gz SDKZAIUGOVMEAG-QGZVFWFLSA-N 1 2 339.439 2.177 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccn1CC=C ZINC001054043277 1247210304 /nfs/dbraw/zinc/21/03/04/1247210304.db2.gz SWDQTJPRJDGKLB-LJQANCHMSA-N 1 2 333.435 2.464 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccn1CC=C ZINC001054043277 1247210313 /nfs/dbraw/zinc/21/03/13/1247210313.db2.gz SWDQTJPRJDGKLB-LJQANCHMSA-N 1 2 333.435 2.464 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(OC)nc1 ZINC001054046074 1247222803 /nfs/dbraw/zinc/22/28/03/1247222803.db2.gz AWAJZHIADZQIOV-LJQANCHMSA-N 1 2 349.434 2.270 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(OC)nc1 ZINC001054046074 1247222811 /nfs/dbraw/zinc/22/28/11/1247222811.db2.gz AWAJZHIADZQIOV-LJQANCHMSA-N 1 2 349.434 2.270 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccc2c[nH]nc21 ZINC001054048948 1247233618 /nfs/dbraw/zinc/23/36/18/1247233618.db2.gz MMNYCPAJHIQNSC-SFHVURJKSA-N 1 2 344.418 2.353 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccc2c[nH]nc21 ZINC001054048948 1247233629 /nfs/dbraw/zinc/23/36/29/1247233629.db2.gz MMNYCPAJHIQNSC-SFHVURJKSA-N 1 2 344.418 2.353 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCc2cccnc21 ZINC001054050571 1247236849 /nfs/dbraw/zinc/23/68/49/1247236849.db2.gz GPDWFCFIKMWUQT-VQTJNVASSA-N 1 2 345.446 2.288 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCc2cccnc21 ZINC001054050571 1247236860 /nfs/dbraw/zinc/23/68/60/1247236860.db2.gz GPDWFCFIKMWUQT-VQTJNVASSA-N 1 2 345.446 2.288 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1coc(C2CC2)n1 ZINC001054055702 1247252410 /nfs/dbraw/zinc/25/24/10/1247252410.db2.gz PXFDIPTYEFNBIN-KRWDZBQOSA-N 1 2 335.407 2.342 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1coc(C2CC2)n1 ZINC001054055702 1247252421 /nfs/dbraw/zinc/25/24/21/1247252421.db2.gz PXFDIPTYEFNBIN-KRWDZBQOSA-N 1 2 335.407 2.342 20 30 EEEDLO N#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001054172433 1247602089 /nfs/dbraw/zinc/60/20/89/1247602089.db2.gz OQVDUDNBMDQNSV-FQEVSTJZSA-N 1 2 349.438 2.324 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@]2(CC[N@H+](Cc3cnon3)C2)C1 ZINC001054175286 1247611730 /nfs/dbraw/zinc/61/17/30/1247611730.db2.gz LMNUTOHETDGAMH-GOSISDBHSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3cnon3)C2)C1 ZINC001054175286 1247611737 /nfs/dbraw/zinc/61/17/37/1247611737.db2.gz LMNUTOHETDGAMH-GOSISDBHSA-N 1 2 332.448 2.486 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3c4c(nn3C)CCCC4)cc2C1 ZINC001054267358 1247941597 /nfs/dbraw/zinc/94/15/97/1247941597.db2.gz PEQQBVFLNYVHTO-UHFFFAOYSA-N 1 2 348.450 2.178 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3c4c(nn3C)CCCC4)cc2C1 ZINC001054267358 1247941609 /nfs/dbraw/zinc/94/16/09/1247941609.db2.gz PEQQBVFLNYVHTO-UHFFFAOYSA-N 1 2 348.450 2.178 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCn4ccnc4C3)cc2C1 ZINC001054271632 1247966064 /nfs/dbraw/zinc/96/60/64/1247966064.db2.gz TWQFNHHBHYCSIB-QGZVFWFLSA-N 1 2 348.450 2.101 20 30 EEEDLO CC#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCn4ccnc4C3)cc2C1 ZINC001054271632 1247966074 /nfs/dbraw/zinc/96/60/74/1247966074.db2.gz TWQFNHHBHYCSIB-QGZVFWFLSA-N 1 2 348.450 2.101 20 30 EEEDLO CN(C(=O)Cn1cc[nH+]c1)C1CCN(c2cccc(F)c2C#N)CC1 ZINC001058058348 1248376681 /nfs/dbraw/zinc/37/66/81/1248376681.db2.gz FMZMAEMSDLMWLH-UHFFFAOYSA-N 1 2 341.390 2.021 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001068116782 1250357846 /nfs/dbraw/zinc/35/78/46/1250357846.db2.gz HMCANQZPBLCKHH-GOSISDBHSA-N 1 2 348.450 2.340 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@H]1C ZINC001068974862 1252033294 /nfs/dbraw/zinc/03/32/94/1252033294.db2.gz YFCYVYRWEYAIIK-UKRRQHHQSA-N 1 2 325.416 2.488 20 30 EEEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](CC)CC2CCCC2)CC1 ZINC001071005643 1253893642 /nfs/dbraw/zinc/89/36/42/1253893642.db2.gz BPAZRLVUMDYUTQ-SFHVURJKSA-N 1 2 349.519 2.429 20 30 EEEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](CC)CC2CCCC2)CC1 ZINC001071005643 1253893647 /nfs/dbraw/zinc/89/36/47/1253893647.db2.gz BPAZRLVUMDYUTQ-SFHVURJKSA-N 1 2 349.519 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/nfs/dbraw/zinc/18/93/97/1286189397.db2.gz YTDXCGYLHQBHOR-UHFFFAOYSA-N 1 2 339.443 2.162 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCc2noc(C(C)(C)C)n2)cc1OC ZINC000109062757 1291746311 /nfs/dbraw/zinc/74/63/11/1291746311.db2.gz LCVJBKUWVJYBCE-UHFFFAOYSA-N 1 2 348.403 2.416 20 30 EEEDLO C#CCN(C(=O)C1CC(F)(F)C1)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110622142 1291761482 /nfs/dbraw/zinc/76/14/82/1291761482.db2.gz MEAXCMGTFDPGBX-UHFFFAOYSA-N 1 2 348.397 2.261 20 30 EEEDLO C=CCCOCC(=O)N[C@]1(C)CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001110769753 1294359091 /nfs/dbraw/zinc/35/90/91/1294359091.db2.gz MMYPCUYKBGAKEL-LJQANCHMSA-N 1 2 344.459 2.340 20 30 EEEDLO Cc1csc(C[N@H+]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)CC[C@H]2C)n1 ZINC001071430750 1294534681 /nfs/dbraw/zinc/53/46/81/1294534681.db2.gz FXZAHFQFAKUWRV-TZMCWYRMSA-N 1 2 343.456 2.434 20 30 EEEDLO Cc1csc(C[N@@H+]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)CC[C@H]2C)n1 ZINC001071430750 1294534695 /nfs/dbraw/zinc/53/46/95/1294534695.db2.gz FXZAHFQFAKUWRV-TZMCWYRMSA-N 1 2 343.456 2.434 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C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc(C(=O)NC)c2)CC[C@@H]1C ZINC001072091498 1295227802 /nfs/dbraw/zinc/22/78/02/1295227802.db2.gz CBHIUFJTELPZHR-XJKSGUPXSA-N 1 2 349.862 2.381 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@]1(C)CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001110803887 1295485455 /nfs/dbraw/zinc/48/54/55/1295485455.db2.gz KBIREOJIWDZZSQ-UGSOOPFHSA-N 1 2 342.447 2.051 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001072508404 1295768389 /nfs/dbraw/zinc/76/83/89/1295768389.db2.gz UWWIFYCUGYWSNW-PBHICJAKSA-N 1 2 341.455 2.387 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001211420309 1295883293 /nfs/dbraw/zinc/88/32/93/1295883293.db2.gz CLIJWEXAPVFFQZ-RDTXWAMCSA-N 1 2 345.418 2.227 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001211420309 1295883308 /nfs/dbraw/zinc/88/33/08/1295883308.db2.gz CLIJWEXAPVFFQZ-RDTXWAMCSA-N 1 2 345.418 2.227 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2c(F)cccc2F)C[C@H]1C ZINC001211425338 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C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)/C=C/C(C)(C)C ZINC001231255263 1303704966 /nfs/dbraw/zinc/70/49/66/1303704966.db2.gz LARHQRZZMKVBOJ-QXLXQBSBSA-N 1 2 347.503 2.322 20 30 EEEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CC[N@H+]1CCOc1ccccc1Cl ZINC001231293766 1303721906 /nfs/dbraw/zinc/72/19/06/1303721906.db2.gz RCRQFUUMPVBIFV-KBPBESRZSA-N 1 2 335.835 2.411 20 30 EEEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCOc1ccccc1Cl ZINC001231293766 1303721905 /nfs/dbraw/zinc/72/19/05/1303721905.db2.gz RCRQFUUMPVBIFV-KBPBESRZSA-N 1 2 335.835 2.411 20 30 EEEDLO CC(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C3CC3)o1)C2 ZINC001111735435 1303823244 /nfs/dbraw/zinc/82/32/44/1303823244.db2.gz BWNQCUPIZKKNMY-KXBFYZLASA-N 1 2 342.443 2.077 20 30 EEEDLO CC(C)C#CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C3CC3)o1)C2 ZINC001111735435 1303823246 /nfs/dbraw/zinc/82/32/46/1303823246.db2.gz BWNQCUPIZKKNMY-KXBFYZLASA-N 1 2 342.443 2.077 20 30 EEEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2nccc(Cl)n2)CC1 ZINC001231619808 1303867603 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EEEDLO N#Cc1cccc(C[N@H+]2CCCN(C(=O)Cc3ccccc3)CC2)n1 ZINC001232926113 1304295731 /nfs/dbraw/zinc/29/57/31/1304295731.db2.gz BRBDQETUMHCQIN-UHFFFAOYSA-N 1 2 334.423 2.230 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCCN(C(=O)Cc3ccccc3)CC2)n1 ZINC001232926113 1304295738 /nfs/dbraw/zinc/29/57/38/1304295738.db2.gz BRBDQETUMHCQIN-UHFFFAOYSA-N 1 2 334.423 2.230 20 30 EEEDLO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1nc3ccccn3n1)CC2 ZINC001233071297 1304351011 /nfs/dbraw/zinc/35/10/11/1304351011.db2.gz ZVRQAIREQXDVGQ-LJQANCHMSA-N 1 2 339.443 2.262 20 30 EEEDLO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1nc3ccccn3n1)CC2 ZINC001233071297 1304351020 /nfs/dbraw/zinc/35/10/20/1304351020.db2.gz ZVRQAIREQXDVGQ-LJQANCHMSA-N 1 2 339.443 2.262 20 30 EEEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1Cc1cc(C)c[nH]c1=O ZINC001233189895 1304389085 /nfs/dbraw/zinc/38/90/85/1304389085.db2.gz JAJANQHBCIWXNP-INIZCTEOSA-N 1 2 343.431 2.009 20 30 EEEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1Cc1cc(C)c[nH]c1=O ZINC001233189895 1304389090 /nfs/dbraw/zinc/38/90/90/1304389090.db2.gz JAJANQHBCIWXNP-INIZCTEOSA-N 1 2 343.431 2.009 20 30 EEEDLO CCn1cc2c(n1)C[N@@H+](Cc1ccc(C#N)cc1O)C[C@H]2COC ZINC001233384373 1304451248 /nfs/dbraw/zinc/45/12/48/1304451248.db2.gz SXPQHGOXUNVBQB-HNNXBMFYSA-N 1 2 326.400 2.226 20 30 EEEDLO CCn1cc2c(n1)C[N@H+](Cc1ccc(C#N)cc1O)C[C@H]2COC ZINC001233384373 1304451251 /nfs/dbraw/zinc/45/12/51/1304451251.db2.gz SXPQHGOXUNVBQB-HNNXBMFYSA-N 1 2 326.400 2.226 20 30 EEEDLO C=CCOCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C)ns1 ZINC001233489155 1304480800 /nfs/dbraw/zinc/48/08/00/1304480800.db2.gz JKDZVUMSRIOYFD-OAHLLOKOSA-N 1 2 337.489 2.467 20 30 EEEDLO C=CCOCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C)ns1 ZINC001233489155 1304480805 /nfs/dbraw/zinc/48/08/05/1304480805.db2.gz JKDZVUMSRIOYFD-OAHLLOKOSA-N 1 2 337.489 2.467 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H](C)CCCNc1ncnc2c1C[N@H+](C)CC2 ZINC001115049297 1304629360 /nfs/dbraw/zinc/62/93/60/1304629360.db2.gz DPUOVTIQFNEPGC-CQSZACIVSA-N 1 2 345.491 2.374 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H](C)CCCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001115049297 1304629365 /nfs/dbraw/zinc/62/93/65/1304629365.db2.gz DPUOVTIQFNEPGC-CQSZACIVSA-N 1 2 345.491 2.374 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CN(C)C(=O)CC2(C)CCCC2)C1=O ZINC001234088736 1304734661 /nfs/dbraw/zinc/73/46/61/1304734661.db2.gz PXEOFMFNMLZIDL-IAGOWNOFSA-N 1 2 347.503 2.276 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CN(C)C(=O)CC2(C)CCCC2)C1=O ZINC001234088736 1304734668 /nfs/dbraw/zinc/73/46/68/1304734668.db2.gz PXEOFMFNMLZIDL-IAGOWNOFSA-N 1 2 347.503 2.276 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2conc2CC)CCC1 ZINC001235210968 1305151247 /nfs/dbraw/zinc/15/12/47/1305151247.db2.gz YXWFHOGZPZOIDG-MRXNPFEDSA-N 1 2 329.444 2.463 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2conc2CC)CCC1 ZINC001235210968 1305151249 /nfs/dbraw/zinc/15/12/49/1305151249.db2.gz YXWFHOGZPZOIDG-MRXNPFEDSA-N 1 2 329.444 2.463 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2CC(=O)N[C@@H](C)CCC)CCC1 ZINC001235224321 1305155169 /nfs/dbraw/zinc/15/51/69/1305155169.db2.gz GKPDQHKYGXBJKX-DLBZAZTESA-N 1 2 347.503 2.018 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2CC(=O)N[C@@H](C)CCC)CCC1 ZINC001235224321 1305155174 /nfs/dbraw/zinc/15/51/74/1305155174.db2.gz GKPDQHKYGXBJKX-DLBZAZTESA-N 1 2 347.503 2.018 20 30 EEEDLO Cn1cc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)c2cc(C#N)ccc21 ZINC001237473898 1305948842 /nfs/dbraw/zinc/94/88/42/1305948842.db2.gz YFJMCEXXHLZLRU-OAHLLOKOSA-N 1 2 331.441 2.059 20 30 EEEDLO Cn1cc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)c2cc(C#N)ccc21 ZINC001237473898 1305948848 /nfs/dbraw/zinc/94/88/48/1305948848.db2.gz YFJMCEXXHLZLRU-OAHLLOKOSA-N 1 2 331.441 2.059 20 30 EEEDLO COc1cc(C[NH+]2CCN(c3nccc(Cl)n3)CC2)ccc1C#N ZINC001238409853 1308856198 /nfs/dbraw/zinc/85/61/98/1308856198.db2.gz QJUQCTARAOJQBF-UHFFFAOYSA-N 1 2 343.818 2.332 20 30 EEEDLO CNS(=O)(=O)c1cccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1 ZINC001240781156 1309399580 /nfs/dbraw/zinc/39/95/80/1309399580.db2.gz NJJQDJQLOBVEJP-UDWIEESQSA-N 1 2 342.424 2.355 20 30 EEEDLO COC(=O)[C@H](C#N)c1nc2ccccc2nc1-c1c[nH+]c(N)cc1C ZINC001242078554 1309605497 /nfs/dbraw/zinc/60/54/97/1309605497.db2.gz LQNYGVASOAJMHR-LLVKDONJSA-N 1 2 333.351 2.363 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H](C)CN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001120776393 1309743296 /nfs/dbraw/zinc/74/32/96/1309743296.db2.gz YWNBZRZAXOGVJV-OCCSQVGLSA-N 1 2 340.431 2.122 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H](C)CN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001120776393 1309743301 /nfs/dbraw/zinc/74/33/01/1309743301.db2.gz YWNBZRZAXOGVJV-OCCSQVGLSA-N 1 2 340.431 2.122 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)Nc2cccnc2)C3)nc1 ZINC001278371502 1309864234 /nfs/dbraw/zinc/86/42/34/1309864234.db2.gz INMGWXAHRLLMNP-UHFFFAOYSA-N 1 2 348.410 2.088 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC2(CCO2)CC1 ZINC001121509940 1310035442 /nfs/dbraw/zinc/03/54/42/1310035442.db2.gz PXIBCBWYUDJAFF-OAHLLOKOSA-N 1 2 331.464 2.380 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC2(CCO2)CC1 ZINC001121509940 1310035452 /nfs/dbraw/zinc/03/54/52/1310035452.db2.gz PXIBCBWYUDJAFF-OAHLLOKOSA-N 1 2 331.464 2.380 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@H](C)O[C@@H](CC)C1 ZINC001121519067 1310039048 /nfs/dbraw/zinc/03/90/48/1310039048.db2.gz FNZIDGPLGDIJIR-HOTGVXAUSA-N 1 2 333.480 2.454 20 30 EEEDLO C=CCOCc1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1CC ZINC001121737467 1310125150 /nfs/dbraw/zinc/12/51/50/1310125150.db2.gz DNDPKAXMKXAWBV-UHFFFAOYSA-N 1 2 342.447 2.477 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@@H](CO)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001122379022 1310270733 /nfs/dbraw/zinc/27/07/33/1310270733.db2.gz ONBWEDSNDZJMCH-CABCVRRESA-N 1 2 346.475 2.155 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](CO)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001122457331 1310291979 /nfs/dbraw/zinc/29/19/79/1310291979.db2.gz JZEPLERPCNSDML-KSSFIOAISA-N 1 2 334.464 2.400 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@@H](C)C[C@H]1C ZINC001122566435 1310335036 /nfs/dbraw/zinc/33/50/36/1310335036.db2.gz GOERBNPHVUUSIT-JKSUJKDBSA-N 1 2 347.507 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C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](C)OCCC=C ZINC001755074292 1407083710 /nfs/dbraw/zinc/08/37/10/1407083710.db2.gz VHNDROXJIQUGHD-LPHOPBHVSA-N 1 2 326.440 2.144 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](C)OCCC=C ZINC001755074292 1407083712 /nfs/dbraw/zinc/08/37/12/1407083712.db2.gz VHNDROXJIQUGHD-LPHOPBHVSA-N 1 2 326.440 2.144 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2ccc3c(c2)CCO3)C1 ZINC001422731397 1400160125 /nfs/dbraw/zinc/16/01/25/1400160125.db2.gz RCPAHFNOJJNLNM-ZDUSSCGKSA-N 1 2 334.847 2.353 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NCC2([NH2+]Cc3ncc(C4CC4)o3)CCC2)c1 ZINC001424169301 1400945038 /nfs/dbraw/zinc/94/50/38/1400945038.db2.gz FNJBVOXIEUBFQG-UHFFFAOYSA-N 1 2 339.399 2.194 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)[C@H](CNC(=O)[C@@H](C)C#N)C2CC2)c(C)[nH+]1 ZINC001424922065 1401309562 /nfs/dbraw/zinc/30/95/62/1401309562.db2.gz GSFPCHLRNCQPKW-BLLLJJGKSA-N 1 2 342.443 2.133 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CC[N@H+](Cc2nc(C3CC3)no2)[C@H](C)C1 ZINC001755165547 1407176632 /nfs/dbraw/zinc/17/66/32/1407176632.db2.gz NCMILZFAOADFPC-HIFRSBDPSA-N 1 2 348.447 2.009 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CC[N@@H+](Cc2nc(C3CC3)no2)[C@H](C)C1 ZINC001755165547 1407176640 /nfs/dbraw/zinc/17/66/40/1407176640.db2.gz NCMILZFAOADFPC-HIFRSBDPSA-N 1 2 348.447 2.009 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1c2ccccc2CC[N@H+]1CC(=O)N(C)C ZINC001755171689 1407183828 /nfs/dbraw/zinc/18/38/28/1407183828.db2.gz BMRBEECRIIFNCS-QGZVFWFLSA-N 1 2 343.471 2.002 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)N(C)C ZINC001755171689 1407183834 /nfs/dbraw/zinc/18/38/34/1407183834.db2.gz BMRBEECRIIFNCS-QGZVFWFLSA-N 1 2 343.471 2.002 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](C)[N@H+](C)CC(=O)Nc1nccs1 ZINC001755315002 1407314094 /nfs/dbraw/zinc/31/40/94/1407314094.db2.gz JWGMPJCOGRJUFQ-LRDDRELGSA-N 1 2 338.477 2.120 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](C)[N@@H+](C)CC(=O)Nc1nccs1 ZINC001755315002 1407314101 /nfs/dbraw/zinc/31/41/01/1407314101.db2.gz JWGMPJCOGRJUFQ-LRDDRELGSA-N 1 2 338.477 2.120 20 30 EEEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001755337100 1407336199 /nfs/dbraw/zinc/33/61/99/1407336199.db2.gz STUSMRXICBZUEU-UHFFFAOYSA-N 1 2 340.826 2.151 20 30 EEEDLO C#CCCCCC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1nc(C)no1 ZINC001755364924 1407363967 /nfs/dbraw/zinc/36/39/67/1407363967.db2.gz MKRFXYQZEJRTHA-INIZCTEOSA-N 1 2 332.448 2.432 20 30 EEEDLO C#CCCCCC(=O)NC[C@@H]1CCCCC[N@H+]1Cc1nc(C)no1 ZINC001755364924 1407363962 /nfs/dbraw/zinc/36/39/62/1407363962.db2.gz MKRFXYQZEJRTHA-INIZCTEOSA-N 1 2 332.448 2.432 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC001692123618 1404985802 /nfs/dbraw/zinc/98/58/02/1404985802.db2.gz ZYWPQRAPSXCGGG-YOEHRIQHSA-N 1 2 337.851 2.143 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC001692123618 1404985809 /nfs/dbraw/zinc/98/58/09/1404985809.db2.gz ZYWPQRAPSXCGGG-YOEHRIQHSA-N 1 2 337.851 2.143 20 30 EEEDLO Cn1nc2ccccc2c1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001731790096 1405908764 /nfs/dbraw/zinc/90/87/64/1405908764.db2.gz FBGAHKZHDIIQBK-UHFFFAOYSA-N 1 2 347.422 2.307 20 30 EEEDLO Cn1nc2ccccc2c1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001731790096 1405908769 /nfs/dbraw/zinc/90/87/69/1405908769.db2.gz FBGAHKZHDIIQBK-UHFFFAOYSA-N 1 2 347.422 2.307 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C)C(C)C)C1 ZINC001732090283 1405925917 /nfs/dbraw/zinc/92/59/17/1405925917.db2.gz QUCIKOGVDUNDHT-HZPDHXFCSA-N 1 2 337.508 2.330 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)C(C)C)C1 ZINC001732090283 1405925923 /nfs/dbraw/zinc/92/59/23/1405925923.db2.gz QUCIKOGVDUNDHT-HZPDHXFCSA-N 1 2 337.508 2.330 20 30 EEEDLO C#CCCCCCC(=O)N1CCC([N@@H+](C)Cc2ncnn2CC)CC1 ZINC001755531929 1407597584 /nfs/dbraw/zinc/59/75/84/1407597584.db2.gz AQSICJCAOPZWNR-UHFFFAOYSA-N 1 2 345.491 2.305 20 30 EEEDLO C#CCCCCCC(=O)N1CCC([N@H+](C)Cc2ncnn2CC)CC1 ZINC001755531929 1407597588 /nfs/dbraw/zinc/59/75/88/1407597588.db2.gz AQSICJCAOPZWNR-UHFFFAOYSA-N 1 2 345.491 2.305 20 30 EEEDLO CC(C)C#CC(=O)N1C[C@@H]([NH2+]Cc2noc(-c3ccoc3)n2)C[C@H]1C ZINC001755678092 1407725347 /nfs/dbraw/zinc/72/53/47/1407725347.db2.gz GIBJICCYESVTKR-HIFRSBDPSA-N 1 2 342.399 2.068 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)C1CC([NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC001755862844 1407915316 /nfs/dbraw/zinc/91/53/16/1407915316.db2.gz ZGTWOKVMWVVTAW-UHFFFAOYSA-N 1 2 348.495 2.109 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1CCCCCN1C(=O)CCn1cc[nH+]c1 ZINC001756123919 1408156462 /nfs/dbraw/zinc/15/64/62/1408156462.db2.gz IECXWAGXWPIWLF-MRXNPFEDSA-N 1 2 346.475 2.373 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001756222562 1408230659 /nfs/dbraw/zinc/23/06/59/1408230659.db2.gz GOIILZWILKYVQX-ARFHVFGLSA-N 1 2 344.459 2.052 20 30 EEEDLO C=CCCCC(=O)N(CC)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001756855895 1409410636 /nfs/dbraw/zinc/41/06/36/1409410636.db2.gz NSPKLXSEKYBIAE-CVEARBPZSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1CC ZINC001757449068 1409720669 /nfs/dbraw/zinc/72/06/69/1409720669.db2.gz QENUVTLRXAHVQD-DLBZAZTESA-N 1 2 344.459 2.147 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC1CC([NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC001100595057 1410678537 /nfs/dbraw/zinc/67/85/37/1410678537.db2.gz KUNKLDKTIHQLLK-WLYUNCDWSA-N 1 2 348.495 2.015 20 30 EEEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nccc(C)c2C#N)CC1 ZINC001164918602 721812926 /nfs/dbraw/zinc/81/29/26/721812926.db2.gz RUGFUSBPYJODJT-UHFFFAOYSA-N 1 2 336.443 2.208 20 30 EEEDLO C=CC[C@@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccncc1 ZINC000840299771 782513745 /nfs/dbraw/zinc/51/37/45/782513745.db2.gz GIBBMNRQZICTHL-MRXNPFEDSA-N 1 2 332.448 2.109 20 30 EEEDLO Cc1nc(N2CC[C@H](NC(=O)C#CC3CC3)C[C@H]2C)c(C)c(C)[nH+]1 ZINC001112479911 757278460 /nfs/dbraw/zinc/27/84/60/757278460.db2.gz ZOJQIIVPFRCBSU-PXAZEXFGSA-N 1 2 326.444 2.289 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001087134541 758363772 /nfs/dbraw/zinc/36/37/72/758363772.db2.gz WCAHCDWWCTVRMT-MCIONIFRSA-N 1 2 347.463 2.243 20 30 EEEDLO C=CC(C)(C)C(=O)NCC1(Nc2nc(N(C)C)nc(C)[nH+]2)CCCC1 ZINC001104419999 760467168 /nfs/dbraw/zinc/46/71/68/760467168.db2.gz PDIPXDLKXDNHQH-UHFFFAOYSA-N 1 2 346.479 2.299 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)[C@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001104700252 764780399 /nfs/dbraw/zinc/78/03/99/764780399.db2.gz DGPFEBOSFLDPNJ-GFCCVEGCSA-N 1 2 334.468 2.107 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCC[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001098606242 765207616 /nfs/dbraw/zinc/20/76/16/765207616.db2.gz LDCGQFIYDIFIHT-UONOGXRCSA-N 1 2 332.452 2.052 20 30 EEEDLO C[C@H](CNc1ncccc1C#N)N(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001104801514 765316760 /nfs/dbraw/zinc/31/67/60/765316760.db2.gz JFKJJXHEUQKHPJ-TZMCWYRMSA-N 1 2 338.415 2.055 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc3nnn(C)c32)[C@@H]1C ZINC000994556801 768922254 /nfs/dbraw/zinc/92/22/54/768922254.db2.gz FKYSIEPDLUNPQF-JSGCOSHPSA-N 1 2 347.850 2.304 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc3nnn(C)c32)[C@@H]1C ZINC000994556801 768922261 /nfs/dbraw/zinc/92/22/61/768922261.db2.gz FKYSIEPDLUNPQF-JSGCOSHPSA-N 1 2 347.850 2.304 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC(n2cc(C[NH2+]C[C@H](F)CC)nn2)C1 ZINC001105335066 769778268 /nfs/dbraw/zinc/77/82/68/769778268.db2.gz SKTGFNHUYDGOSR-CYBMUJFWSA-N 1 2 337.443 2.101 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](C)C[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)n1 ZINC001089499303 769914882 /nfs/dbraw/zinc/91/48/82/769914882.db2.gz LSMSKXAFHQCTCV-ZIAGYGMSSA-N 1 2 340.431 2.313 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](C)C[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)n1 ZINC001089499303 769914885 /nfs/dbraw/zinc/91/48/85/769914885.db2.gz LSMSKXAFHQCTCV-ZIAGYGMSSA-N 1 2 340.431 2.313 20 30 EEEDLO Cc1ccncc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031590820 769922647 /nfs/dbraw/zinc/92/26/47/769922647.db2.gz HSPCVCINSITZCK-UHFFFAOYSA-N 1 2 338.386 2.263 20 30 EEEDLO Cc1[nH]ccc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031605970 770119051 /nfs/dbraw/zinc/11/90/51/770119051.db2.gz RCBLWPXKPHPZSU-UHFFFAOYSA-N 1 2 325.387 2.176 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3CC)CC[C@@H]2C1 ZINC001088093330 782899463 /nfs/dbraw/zinc/89/94/63/782899463.db2.gz SIMQJSGGCZDAIX-GJYPPUQNSA-N 1 2 345.491 2.181 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3CC)CC[C@@H]2C1 ZINC001088093330 782899467 /nfs/dbraw/zinc/89/94/67/782899467.db2.gz SIMQJSGGCZDAIX-GJYPPUQNSA-N 1 2 345.491 2.181 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC=C(Cl)Cl)c[nH]1 ZINC001027836535 773297877 /nfs/dbraw/zinc/29/78/77/773297877.db2.gz UEZPVSWMOIUCMS-LBPRGKRZSA-N 1 2 327.215 2.400 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC=C(Cl)Cl)c[nH]1 ZINC001027836535 773297882 /nfs/dbraw/zinc/29/78/82/773297882.db2.gz UEZPVSWMOIUCMS-LBPRGKRZSA-N 1 2 327.215 2.400 20 30 EEEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)CCCCCC)C2)C(=O)C1 ZINC001131726868 783136456 /nfs/dbraw/zinc/13/64/56/783136456.db2.gz WJUOAMCWQYDRHR-SFHVURJKSA-N 1 2 347.503 2.115 20 30 EEEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)CCCCCC)C2)C(=O)C1 ZINC001131726868 783136460 /nfs/dbraw/zinc/13/64/60/783136460.db2.gz WJUOAMCWQYDRHR-SFHVURJKSA-N 1 2 347.503 2.115 20 30 EEEDLO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001089731650 774783737 /nfs/dbraw/zinc/78/37/37/774783737.db2.gz URYRUNVYLFAQLH-CQSZACIVSA-N 1 2 327.432 2.364 20 30 EEEDLO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001089731650 774783744 /nfs/dbraw/zinc/78/37/44/774783744.db2.gz URYRUNVYLFAQLH-CQSZACIVSA-N 1 2 327.432 2.364 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cncn2)cc1 ZINC001027945764 774812533 /nfs/dbraw/zinc/81/25/33/774812533.db2.gz HZHHSIQVDUOQKZ-MRXNPFEDSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cncn2)cc1 ZINC001027945764 774812543 /nfs/dbraw/zinc/81/25/43/774812543.db2.gz HZHHSIQVDUOQKZ-MRXNPFEDSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@@H](C)N(CC)c2[nH+]cnc3c2cnn3C)C1 ZINC001089743576 774885558 /nfs/dbraw/zinc/88/55/58/774885558.db2.gz FYNXPFVOWPSETC-CYBMUJFWSA-N 1 2 342.447 2.051 20 30 EEEDLO Cc1cnc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)cn1 ZINC000980652243 775076329 /nfs/dbraw/zinc/07/63/29/775076329.db2.gz HBPGYGKNEBSYLS-UHFFFAOYSA-N 1 2 341.440 2.066 20 30 EEEDLO Cc1cnc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)cn1 ZINC000980652243 775076335 /nfs/dbraw/zinc/07/63/35/775076335.db2.gz HBPGYGKNEBSYLS-UHFFFAOYSA-N 1 2 341.440 2.066 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCC1(F)F ZINC001031760702 775077764 /nfs/dbraw/zinc/07/77/64/775077764.db2.gz MYUJKQJCKVPEFJ-MRXNPFEDSA-N 1 2 336.357 2.271 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001027968371 775355832 /nfs/dbraw/zinc/35/58/32/775355832.db2.gz PRMNRBURIMNWRE-JSGCOSHPSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001027968371 775355843 /nfs/dbraw/zinc/35/58/43/775355843.db2.gz PRMNRBURIMNWRE-JSGCOSHPSA-N 1 2 336.867 2.412 20 30 EEEDLO CCO[C@@H]1C[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000980750033 775443802 /nfs/dbraw/zinc/44/38/02/775443802.db2.gz ZAPZSFPVSIBAPZ-FUHWJXTLSA-N 1 2 345.418 2.157 20 30 EEEDLO CCO[C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000980750033 775443807 /nfs/dbraw/zinc/44/38/07/775443807.db2.gz ZAPZSFPVSIBAPZ-FUHWJXTLSA-N 1 2 345.418 2.157 20 30 EEEDLO C=CCCOCC(=O)N1CCCC[C@@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001089791940 775555099 /nfs/dbraw/zinc/55/50/99/775555099.db2.gz JFBCBIXNLAUSTB-MRXNPFEDSA-N 1 2 332.448 2.195 20 30 EEEDLO CCc1cccnc1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031797442 775840041 /nfs/dbraw/zinc/84/00/41/775840041.db2.gz DWTAAWBYFLGGCL-UHFFFAOYSA-N 1 2 334.423 2.377 20 30 EEEDLO C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981034234 776374985 /nfs/dbraw/zinc/37/49/85/776374985.db2.gz ZHTNHXZMADKSPM-ICSRJNTNSA-N 1 2 340.467 2.388 20 30 EEEDLO C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981034234 776375000 /nfs/dbraw/zinc/37/50/00/776375000.db2.gz ZHTNHXZMADKSPM-ICSRJNTNSA-N 1 2 340.467 2.388 20 30 EEEDLO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3C#N)CC2)nn1 ZINC000981133729 776572769 /nfs/dbraw/zinc/57/27/69/776572769.db2.gz MZQRJDKDEPHELG-UHFFFAOYSA-N 1 2 335.411 2.005 20 30 EEEDLO Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)nn1 ZINC000981133729 776572774 /nfs/dbraw/zinc/57/27/74/776572774.db2.gz MZQRJDKDEPHELG-UHFFFAOYSA-N 1 2 335.411 2.005 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2[nH]nc3c2CCCC3)CC1 ZINC000981164918 776686497 /nfs/dbraw/zinc/68/64/97/776686497.db2.gz LLJPYDPJFGLOQB-UHFFFAOYSA-N 1 2 336.867 2.118 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2[nH]nc3c2CCCC3)CC1 ZINC000981164918 776686500 /nfs/dbraw/zinc/68/65/00/776686500.db2.gz LLJPYDPJFGLOQB-UHFFFAOYSA-N 1 2 336.867 2.118 20 30 EEEDLO Cc1nnsc1C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001098982513 790484812 /nfs/dbraw/zinc/48/48/12/790484812.db2.gz LDSIWKXWDWAODK-DGCLKSJQSA-N 1 2 335.477 2.113 20 30 EEEDLO Cc1nnsc1C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001098982513 790484821 /nfs/dbraw/zinc/48/48/21/790484821.db2.gz LDSIWKXWDWAODK-DGCLKSJQSA-N 1 2 335.477 2.113 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000181585183 777140588 /nfs/dbraw/zinc/14/05/88/777140588.db2.gz PFPMNVADFBYJSX-UHFFFAOYSA-N 1 2 331.328 2.319 20 30 EEEDLO COCC(=O)N1CC2(C1)CCC[N@H+](CC#Cc1ccccc1Cl)C2 ZINC000981562982 777654577 /nfs/dbraw/zinc/65/45/77/777654577.db2.gz SYYBRCOUUSMZQP-UHFFFAOYSA-N 1 2 346.858 2.262 20 30 EEEDLO COCC(=O)N1CC2(C1)CCC[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC000981562982 777654584 /nfs/dbraw/zinc/65/45/84/777654584.db2.gz SYYBRCOUUSMZQP-UHFFFAOYSA-N 1 2 346.858 2.262 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001212346813 777690639 /nfs/dbraw/zinc/69/06/39/777690639.db2.gz BHQUXLASFUVMPZ-QZTJIDSGSA-N 1 2 345.418 2.369 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001212346813 777690647 /nfs/dbraw/zinc/69/06/47/777690647.db2.gz BHQUXLASFUVMPZ-QZTJIDSGSA-N 1 2 345.418 2.369 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2cccc(OCC)n2)CC1 ZINC000981657760 777922127 /nfs/dbraw/zinc/92/21/27/777922127.db2.gz GKAOTCZYUJKSGL-UHFFFAOYSA-N 1 2 337.851 2.310 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2cccc(OCC)n2)CC1 ZINC000981657760 777922135 /nfs/dbraw/zinc/92/21/35/777922135.db2.gz GKAOTCZYUJKSGL-UHFFFAOYSA-N 1 2 337.851 2.310 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](Cc3cncs3)CC2)cc1 ZINC000981730983 778115079 /nfs/dbraw/zinc/11/50/79/778115079.db2.gz VQIFVMGZHLPOFO-UHFFFAOYSA-N 1 2 325.437 2.473 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3cncs3)CC2)cc1 ZINC000981730983 778115082 /nfs/dbraw/zinc/11/50/82/778115082.db2.gz VQIFVMGZHLPOFO-UHFFFAOYSA-N 1 2 325.437 2.473 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC3(CN(C(=O)C#CC4CC4)C3)C2)c(C)o1 ZINC000981758629 778168433 /nfs/dbraw/zinc/16/84/33/778168433.db2.gz XJEPXYPNRPSEJS-UHFFFAOYSA-N 1 2 327.428 2.129 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC3(CN(C(=O)C#CC4CC4)C3)C2)c(C)o1 ZINC000981758629 778168435 /nfs/dbraw/zinc/16/84/35/778168435.db2.gz XJEPXYPNRPSEJS-UHFFFAOYSA-N 1 2 327.428 2.129 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1csc(CC)n1 ZINC001028147269 778449311 /nfs/dbraw/zinc/44/93/11/778449311.db2.gz SJSATGGHXNIGDX-XHSDSOJGSA-N 1 2 349.500 2.377 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1csc(CC)n1 ZINC001028147269 778449315 /nfs/dbraw/zinc/44/93/15/778449315.db2.gz SJSATGGHXNIGDX-XHSDSOJGSA-N 1 2 349.500 2.377 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3F)CC2)O1 ZINC000982000318 778827990 /nfs/dbraw/zinc/82/79/90/778827990.db2.gz MUSPFWZKJDAKID-RDTXWAMCSA-N 1 2 345.418 2.299 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3F)CC2)O1 ZINC000982000318 778827999 /nfs/dbraw/zinc/82/79/99/778827999.db2.gz MUSPFWZKJDAKID-RDTXWAMCSA-N 1 2 345.418 2.299 20 30 EEEDLO C=C(C)C[N@@H+]1CCCN(C(=O)c2n[nH]c(C(F)(F)F)c2C)CC1 ZINC000982081731 779076487 /nfs/dbraw/zinc/07/64/87/779076487.db2.gz YAJSVIONNHERIF-UHFFFAOYSA-N 1 2 330.354 2.461 20 30 EEEDLO C=C(C)C[N@H+]1CCCN(C(=O)c2n[nH]c(C(F)(F)F)c2C)CC1 ZINC000982081731 779076493 /nfs/dbraw/zinc/07/64/93/779076493.db2.gz YAJSVIONNHERIF-UHFFFAOYSA-N 1 2 330.354 2.461 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(CC)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106932648 779206826 /nfs/dbraw/zinc/20/68/26/779206826.db2.gz IPJNBIGCMCTVPV-LJQANCHMSA-N 1 2 345.491 2.327 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(CC)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106932648 779206829 /nfs/dbraw/zinc/20/68/29/779206829.db2.gz IPJNBIGCMCTVPV-LJQANCHMSA-N 1 2 345.491 2.327 20 30 EEEDLO Cc1conc1C(=O)NC[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001028247716 779629096 /nfs/dbraw/zinc/62/90/96/779629096.db2.gz UWFZHFOAUZCIQJ-QGZVFWFLSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1conc1C(=O)NC[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001028247716 779629099 /nfs/dbraw/zinc/62/90/99/779629099.db2.gz UWFZHFOAUZCIQJ-QGZVFWFLSA-N 1 2 341.386 2.368 20 30 EEEDLO C#CCCCC(=O)NCC[NH2+]Cc1noc(-c2ccccc2C)n1 ZINC001126343848 779776503 /nfs/dbraw/zinc/77/65/03/779776503.db2.gz JMZHKPLCDXLFGZ-UHFFFAOYSA-N 1 2 326.400 2.054 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@]2(C)C[N@@H+](Cc3ncnn3CC)C[C@]2(C)C1 ZINC000982427842 780102691 /nfs/dbraw/zinc/10/26/91/780102691.db2.gz CEBBLYUOYGDHGV-KDURUIRLSA-N 1 2 345.491 2.181 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@]2(C)C[N@H+](Cc3ncnn3CC)C[C@]2(C)C1 ZINC000982427842 780102697 /nfs/dbraw/zinc/10/26/97/780102697.db2.gz CEBBLYUOYGDHGV-KDURUIRLSA-N 1 2 345.491 2.181 20 30 EEEDLO C=C1CCC(C(=O)NCC2C[NH+](Cc3cc(OC)ccn3)C2)CC1 ZINC001031952002 780530459 /nfs/dbraw/zinc/53/04/59/780530459.db2.gz UNKRFTLTUYYPAA-UHFFFAOYSA-N 1 2 329.444 2.385 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@]1(C)C[N@H+](CCOCC(F)F)CCO1 ZINC001107970494 790815816 /nfs/dbraw/zinc/81/58/16/790815816.db2.gz AJHDSMGHGMTHOV-KRWDZBQOSA-N 1 2 348.434 2.078 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@]1(C)C[N@@H+](CCOCC(F)F)CCO1 ZINC001107970494 790815830 /nfs/dbraw/zinc/81/58/30/790815830.db2.gz AJHDSMGHGMTHOV-KRWDZBQOSA-N 1 2 348.434 2.078 20 30 EEEDLO C#Cc1cncc(C(=O)NCC2C[NH+](Cc3cc(F)cc(F)c3)C2)c1 ZINC001031965541 780862505 /nfs/dbraw/zinc/86/25/05/780862505.db2.gz NOLGHNWREORKHH-UHFFFAOYSA-N 1 2 341.361 2.203 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ocnc3C3CC3)C2)s1 ZINC001031974031 781138388 /nfs/dbraw/zinc/13/83/88/781138388.db2.gz SMRLAOQAKSHWAC-UHFFFAOYSA-N 1 2 342.424 2.347 20 30 EEEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@](C)(CC)CCCCC)C2)nn1 ZINC001105378341 781156556 /nfs/dbraw/zinc/15/65/56/781156556.db2.gz AMSZNGJQQJMQBN-LJQANCHMSA-N 1 2 345.491 2.381 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ocnc1C(F)F ZINC001031977835 781288279 /nfs/dbraw/zinc/28/82/79/781288279.db2.gz JLSQHTFQBRJZEI-UHFFFAOYSA-N 1 2 345.349 2.326 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCCCC[C@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001088281957 783353596 /nfs/dbraw/zinc/35/35/96/783353596.db2.gz WXSXAROXIBKTLV-KBPBESRZSA-N 1 2 347.463 2.388 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)C(F)=C2CCCC2)CC[C@@H]1C ZINC001131951930 783520016 /nfs/dbraw/zinc/52/00/16/783520016.db2.gz TYDXOVAXCRKIFY-DZGCQCFKSA-N 1 2 337.439 2.055 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(F)=C2CCCC2)CC[C@@H]1C ZINC001131951930 783520021 /nfs/dbraw/zinc/52/00/21/783520021.db2.gz TYDXOVAXCRKIFY-DZGCQCFKSA-N 1 2 337.439 2.055 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C)C1 ZINC000945295184 783798769 /nfs/dbraw/zinc/79/87/69/783798769.db2.gz PZZRVZPJQUXZFX-LSDHHAIUSA-N 1 2 344.459 2.052 20 30 EEEDLO Cc1c(C#N)cccc1C(=O)Nc1ccc(C(N)=O)cc1-n1cc[nH+]c1 ZINC001129108212 784032669 /nfs/dbraw/zinc/03/26/69/784032669.db2.gz MKIFAIJTEYQRBY-UHFFFAOYSA-N 1 2 345.362 2.404 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-c3ccncc3)o2)C1 ZINC001035393203 784434895 /nfs/dbraw/zinc/43/48/95/784434895.db2.gz WQCDSUUMVFDXKA-MRXNPFEDSA-N 1 2 341.411 2.348 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(-c3ccncc3)o2)C1 ZINC001035393203 784434900 /nfs/dbraw/zinc/43/49/00/784434900.db2.gz WQCDSUUMVFDXKA-MRXNPFEDSA-N 1 2 341.411 2.348 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2nsc3ccc(C)cc32)C1 ZINC001035465813 784588195 /nfs/dbraw/zinc/58/81/95/784588195.db2.gz BQPVEXHQNOTVCN-CQSZACIVSA-N 1 2 343.452 2.059 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2nsc3ccc(C)cc32)C1 ZINC001035465813 784588199 /nfs/dbraw/zinc/58/81/99/784588199.db2.gz BQPVEXHQNOTVCN-CQSZACIVSA-N 1 2 343.452 2.059 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC001035546179 784655821 /nfs/dbraw/zinc/65/58/21/784655821.db2.gz ZSEMHEOVDSZGLP-OTWHNJEPSA-N 1 2 344.455 2.157 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC001035546179 784655827 /nfs/dbraw/zinc/65/58/27/784655827.db2.gz ZSEMHEOVDSZGLP-OTWHNJEPSA-N 1 2 344.455 2.157 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001035606351 784802420 /nfs/dbraw/zinc/80/24/20/784802420.db2.gz BOOFSYOOEXIXIX-VHDGCEQUSA-N 1 2 336.382 2.071 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 ZINC001035606351 784802426 /nfs/dbraw/zinc/80/24/26/784802426.db2.gz BOOFSYOOEXIXIX-VHDGCEQUSA-N 1 2 336.382 2.071 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C1CC(OCC)C1)CC2 ZINC001035701396 784979884 /nfs/dbraw/zinc/97/98/84/784979884.db2.gz XZZCBILRALTZIW-UHFFFAOYSA-N 1 2 326.868 2.478 20 30 EEEDLO Cc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)n1 ZINC001032278856 785018686 /nfs/dbraw/zinc/01/86/86/785018686.db2.gz ODSAEBWHUQIMIE-ROUUACIJSA-N 1 2 332.407 2.361 20 30 EEEDLO Cc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)n1 ZINC001032278856 785018695 /nfs/dbraw/zinc/01/86/95/785018695.db2.gz ODSAEBWHUQIMIE-ROUUACIJSA-N 1 2 332.407 2.361 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc3c([nH]1)CCOC3)CC2 ZINC001035723504 785021725 /nfs/dbraw/zinc/02/17/25/785021725.db2.gz YAXQRLLDXWCFRN-UHFFFAOYSA-N 1 2 349.862 2.378 20 30 EEEDLO CC#CC[NH+]1CC2(C1)CCN(C(=O)c1[nH]nc3ccc(C)cc31)CC2 ZINC001035740904 785055454 /nfs/dbraw/zinc/05/54/54/785055454.db2.gz HUYGGRKIRGMHBM-UHFFFAOYSA-N 1 2 336.439 2.433 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)Cc1cnn(CC)c1)CC2 ZINC001035836995 785259583 /nfs/dbraw/zinc/25/95/83/785259583.db2.gz DJOHKLNRMWEHSD-UHFFFAOYSA-N 1 2 336.867 2.122 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc(N(C)C)ccn1)CC2 ZINC001035861932 785309781 /nfs/dbraw/zinc/30/97/81/785309781.db2.gz VBIVBPIQUIKSHL-UHFFFAOYSA-N 1 2 348.878 2.438 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2csc(C)n2)[C@@H]1C ZINC001088868393 791106264 /nfs/dbraw/zinc/10/62/64/791106264.db2.gz ARKKSBKOLJREEB-FWYOQMDTSA-N 1 2 335.473 2.122 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2csc(C)n2)[C@@H]1C ZINC001088868393 791106269 /nfs/dbraw/zinc/10/62/69/791106269.db2.gz ARKKSBKOLJREEB-FWYOQMDTSA-N 1 2 335.473 2.122 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C(C)C)o2)[C@@H]1C ZINC001088868665 791107847 /nfs/dbraw/zinc/10/78/47/791107847.db2.gz RUTUWWLZIDCPDL-WCVJEAGWSA-N 1 2 347.459 2.468 20 30 EEEDLO 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/nfs/dbraw/zinc/68/29/07/786682907.db2.gz GTKGSFDWWSTIBB-ZIAGYGMSSA-N 1 2 349.406 2.068 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC(F)(F)F)s1 ZINC001032305202 786687559 /nfs/dbraw/zinc/68/75/59/786687559.db2.gz NYGCWZBDERLELE-UWVGGRQHSA-N 1 2 329.347 2.357 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC(F)(F)F)s1 ZINC001032305202 786687566 /nfs/dbraw/zinc/68/75/66/786687566.db2.gz NYGCWZBDERLELE-UWVGGRQHSA-N 1 2 329.347 2.357 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cncc(F)c3)C[C@@H]2O)CC1 ZINC001090548590 786834652 /nfs/dbraw/zinc/83/46/52/786834652.db2.gz ZSZVXTGPKDQPTJ-ROUUACIJSA-N 1 2 347.434 2.019 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cncc(F)c3)C[C@@H]2O)CC1 ZINC001090548590 786834659 /nfs/dbraw/zinc/83/46/59/786834659.db2.gz ZSZVXTGPKDQPTJ-ROUUACIJSA-N 1 2 347.434 2.019 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCCO[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001090581751 787056000 /nfs/dbraw/zinc/05/60/00/787056000.db2.gz ZAOORBXYBMEXPC-GOEBONIOSA-N 1 2 332.448 2.417 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/nfs/dbraw/zinc/42/82/55/787428255.db2.gz TVXGJOBOWUNLHS-VXGBXAGGSA-N 1 2 349.283 2.248 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(Cl)s2)[C@H](O)C1 ZINC001090629912 787428258 /nfs/dbraw/zinc/42/82/58/787428258.db2.gz TVXGJOBOWUNLHS-VXGBXAGGSA-N 1 2 349.283 2.248 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ncccn1 ZINC001109628168 805790585 /nfs/dbraw/zinc/79/05/85/805790585.db2.gz CZSYOKVNORMCHG-NCOADZHNSA-N 1 2 326.444 2.453 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ncccn1 ZINC001109628168 805790589 /nfs/dbraw/zinc/79/05/89/805790589.db2.gz CZSYOKVNORMCHG-NCOADZHNSA-N 1 2 326.444 2.453 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncsc2C(C)C)[C@H](O)C1 ZINC001090719647 787907611 /nfs/dbraw/zinc/90/76/11/787907611.db2.gz QAIHJOMKPZOCFG-NWDGAFQWSA-N 1 2 343.880 2.184 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncsc2C(C)C)[C@H](O)C1 ZINC001090719647 787907617 /nfs/dbraw/zinc/90/76/17/787907617.db2.gz QAIHJOMKPZOCFG-NWDGAFQWSA-N 1 2 343.880 2.184 20 30 EEEDLO Cc1nc(N2C[C@@H](C)[C@H](NC(=O)CC#Cc3ccccc3)C2)cc[nH+]1 ZINC001090726578 787929587 /nfs/dbraw/zinc/92/95/87/787929587.db2.gz VXUZOHOTGFZJPJ-CRAIPNDOSA-N 1 2 334.423 2.168 20 30 EEEDLO C[C@]1(CNC(=O)c2ccco2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107694463 788064733 /nfs/dbraw/zinc/06/47/33/788064733.db2.gz KLIRXPXIXIFDDG-IBGZPJMESA-N 1 2 339.395 2.172 20 30 EEEDLO C[C@]1(CNC(=O)c2ccco2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107694463 788064740 /nfs/dbraw/zinc/06/47/40/788064740.db2.gz KLIRXPXIXIFDDG-IBGZPJMESA-N 1 2 339.395 2.172 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C)OCC ZINC001090777629 788216985 /nfs/dbraw/zinc/21/69/85/788216985.db2.gz CZASUNISANPFHQ-FVQBIDKESA-N 1 2 332.448 2.097 20 30 EEEDLO CC[C@@H](C)C(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107751684 788232975 /nfs/dbraw/zinc/23/29/75/788232975.db2.gz HYETXXKPWNULFY-BEFAXECRSA-N 1 2 329.444 2.311 20 30 EEEDLO CC[C@@H](C)C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107751684 788232978 /nfs/dbraw/zinc/23/29/78/788232978.db2.gz HYETXXKPWNULFY-BEFAXECRSA-N 1 2 329.444 2.311 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3c2CCC3)[C@@H](O)C1 ZINC001090841023 788539634 /nfs/dbraw/zinc/53/96/34/788539634.db2.gz IEBUWCBVWLILDG-SJORKVTESA-N 1 2 334.847 2.093 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc3c2CCC3)[C@@H](O)C1 ZINC001090841023 788539639 /nfs/dbraw/zinc/53/96/39/788539639.db2.gz IEBUWCBVWLILDG-SJORKVTESA-N 1 2 334.847 2.093 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060787886 788621684 /nfs/dbraw/zinc/62/16/84/788621684.db2.gz WRRKISZDEXBCCR-BZUAXINKSA-N 1 2 346.475 2.346 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001077723253 788675952 /nfs/dbraw/zinc/67/59/52/788675952.db2.gz SAHVKDZUKMIVMR-GJZGRUSLSA-N 1 2 346.475 2.059 20 30 EEEDLO C=CCCC(=O)NCC1(NC(=O)c2ccn3c(C)c[nH+]c3c2)CCC1 ZINC001062687668 788919237 /nfs/dbraw/zinc/91/92/37/788919237.db2.gz JLMUVHCPHGRHAC-UHFFFAOYSA-N 1 2 340.427 2.378 20 30 EEEDLO COc1ccc(N(C)CC[N@H+](C)Cn2ccc(C)c(C#N)c2=O)cc1 ZINC000844724923 789329480 /nfs/dbraw/zinc/32/94/80/789329480.db2.gz FCHJMSIUNUUOJN-UHFFFAOYSA-N 1 2 340.427 2.063 20 30 EEEDLO COc1ccc(N(C)CC[N@@H+](C)Cn2ccc(C)c(C#N)c2=O)cc1 ZINC000844724923 789329487 /nfs/dbraw/zinc/32/94/87/789329487.db2.gz FCHJMSIUNUUOJN-UHFFFAOYSA-N 1 2 340.427 2.063 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1C[N@H+](Cc2ncoc2C(C)C)CCCO1 ZINC001149361663 789369473 /nfs/dbraw/zinc/36/94/73/789369473.db2.gz JFDLRRQCPFHEBR-OAHLLOKOSA-N 1 2 335.448 2.471 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1C[N@@H+](Cc2ncoc2C(C)C)CCCO1 ZINC001149361663 789369481 /nfs/dbraw/zinc/36/94/81/789369481.db2.gz JFDLRRQCPFHEBR-OAHLLOKOSA-N 1 2 335.448 2.471 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCO[C@H](C)CC(C)C)C1 ZINC001107939480 789499098 /nfs/dbraw/zinc/49/90/98/789499098.db2.gz CRFVHXBDSFIOOM-IEBWSBKVSA-N 1 2 338.492 2.058 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCO[C@H](C)CC(C)C)C1 ZINC001107939480 789499103 /nfs/dbraw/zinc/49/91/03/789499103.db2.gz CRFVHXBDSFIOOM-IEBWSBKVSA-N 1 2 338.492 2.058 20 30 EEEDLO CCCn1nccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032425719 789691182 /nfs/dbraw/zinc/69/11/82/789691182.db2.gz HKLOASNQGDASEN-ROUUACIJSA-N 1 2 349.438 2.264 20 30 EEEDLO CCCn1nccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032425719 789691191 /nfs/dbraw/zinc/69/11/91/789691191.db2.gz HKLOASNQGDASEN-ROUUACIJSA-N 1 2 349.438 2.264 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001079041709 789892321 /nfs/dbraw/zinc/89/23/21/789892321.db2.gz QGVDVUASICPNIG-IAGOWNOFSA-N 1 2 346.475 2.325 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001063060739 790168870 /nfs/dbraw/zinc/16/88/70/790168870.db2.gz HTTXMPPQNCEJNL-AWEZNQCLSA-N 1 2 346.475 2.346 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC1(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001063060739 790168874 /nfs/dbraw/zinc/16/88/74/790168874.db2.gz 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C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cncc3[nH]cnc32)[C@H]1C ZINC000993333731 796410742 /nfs/dbraw/zinc/41/07/42/796410742.db2.gz IDIRANIYLXRANT-YPMHNXCESA-N 1 2 333.823 2.293 20 30 EEEDLO C=CCCC(=O)NCc1ccc([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001060581127 796644240 /nfs/dbraw/zinc/64/42/40/796644240.db2.gz LQJRLFNCBJDCFK-CQSZACIVSA-N 1 2 340.427 2.412 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCNc1cccc(F)c1C#N ZINC001094827606 796669417 /nfs/dbraw/zinc/66/94/17/796669417.db2.gz LEQFJIXAYNILDS-GFCCVEGCSA-N 1 2 329.379 2.217 20 30 EEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCNc1cccc(F)c1C#N ZINC001094827606 796669419 /nfs/dbraw/zinc/66/94/19/796669419.db2.gz LEQFJIXAYNILDS-GFCCVEGCSA-N 1 2 329.379 2.217 20 30 EEEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC=CCC1 ZINC001081350578 796736331 /nfs/dbraw/zinc/73/63/31/796736331.db2.gz MTMLRHPSIJSMSW-VAMGGRTRSA-N 1 2 338.451 2.210 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC=CCC1 ZINC001081350578 796736336 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C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@H]1C ZINC000993906160 797148582 /nfs/dbraw/zinc/14/85/82/797148582.db2.gz UTVYDMAREZNBJO-DGCLKSJQSA-N 1 2 331.247 2.258 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@H]1C ZINC000993906160 797148584 /nfs/dbraw/zinc/14/85/84/797148584.db2.gz UTVYDMAREZNBJO-DGCLKSJQSA-N 1 2 331.247 2.258 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001082131965 797223286 /nfs/dbraw/zinc/22/32/86/797223286.db2.gz HEGRDILEBLBGKE-INIZCTEOSA-N 1 2 332.448 2.196 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001082131965 797223288 /nfs/dbraw/zinc/22/32/88/797223288.db2.gz HEGRDILEBLBGKE-INIZCTEOSA-N 1 2 332.448 2.196 20 30 EEEDLO N#Cc1c(F)cccc1N[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001095046689 797274738 /nfs/dbraw/zinc/27/47/38/797274738.db2.gz HYWIEJHBJWUXBM-CQSZACIVSA-N 1 2 341.390 2.387 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001082234407 797333701 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ZINC001004579419 802411308 /nfs/dbraw/zinc/41/13/08/802411308.db2.gz BGDNXTDYGHCYJE-DYVFJYSZSA-N 1 2 343.475 2.357 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)Cc2ccccc2)C1 ZINC001108251336 802466217 /nfs/dbraw/zinc/46/62/17/802466217.db2.gz BQTMWDCUVQZBRX-FPOVZHCZSA-N 1 2 342.483 2.486 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)Cc2ccccc2)C1 ZINC001108251336 802466218 /nfs/dbraw/zinc/46/62/18/802466218.db2.gz BQTMWDCUVQZBRX-FPOVZHCZSA-N 1 2 342.483 2.486 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC001108266245 802767557 /nfs/dbraw/zinc/76/75/57/802767557.db2.gz KSEYLXVKDLTUFB-OXJNMPFZSA-N 1 2 344.455 2.118 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCc3cccc(OC)c32)C1 ZINC001108266245 802767561 /nfs/dbraw/zinc/76/75/61/802767561.db2.gz KSEYLXVKDLTUFB-OXJNMPFZSA-N 1 2 344.455 2.118 20 30 EEEDLO C[C@H](CCCCNc1ncccc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001090109147 802789761 /nfs/dbraw/zinc/78/97/61/802789761.db2.gz QJCVPQFQHQKJAK-CYBMUJFWSA-N 1 2 326.404 2.006 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001066503732 802805336 /nfs/dbraw/zinc/80/53/36/802805336.db2.gz MAGNJECBTFJBAP-KBXCAEBGSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)C1 ZINC001086431586 802954621 /nfs/dbraw/zinc/95/46/21/802954621.db2.gz VILCQPXDVVBFGI-SDPXSBNPSA-N 1 2 336.867 2.313 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(Cl)ccc2C)C1 ZINC001108289062 803201108 /nfs/dbraw/zinc/20/11/08/803201108.db2.gz HHSSMZMSEKSVKB-GOSISDBHSA-N 1 2 334.847 2.492 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(Cl)ccc2C)C1 ZINC001108289062 803201115 /nfs/dbraw/zinc/20/11/15/803201115.db2.gz HHSSMZMSEKSVKB-GOSISDBHSA-N 1 2 334.847 2.492 20 30 EEEDLO C#Cc1ccccc1CC(=O)NCc1cnn2c1C[N@H+](CCC=C)CC2 ZINC001128565459 803221958 /nfs/dbraw/zinc/22/19/58/803221958.db2.gz IVMXNXPRXPPADP-UHFFFAOYSA-N 1 2 348.450 2.115 20 30 EEEDLO C#Cc1ccccc1CC(=O)NCc1cnn2c1C[N@@H+](CCC=C)CC2 ZINC001128565459 803221963 /nfs/dbraw/zinc/22/19/63/803221963.db2.gz IVMXNXPRXPPADP-UHFFFAOYSA-N 1 2 348.450 2.115 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001108294135 803233531 /nfs/dbraw/zinc/23/35/31/803233531.db2.gz VXBTXOUVXAGCHH-PXNSSMCTSA-N 1 2 328.456 2.500 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001108294135 803233537 /nfs/dbraw/zinc/23/35/37/803233537.db2.gz VXBTXOUVXAGCHH-PXNSSMCTSA-N 1 2 328.456 2.500 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]nc2C2CCCCC2)C1 ZINC001108336698 803301582 /nfs/dbraw/zinc/30/15/82/803301582.db2.gz KTVCIJHOBXPMMI-IBGZPJMESA-N 1 2 346.475 2.464 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]nc2C2CCCCC2)C1 ZINC001108336698 803301589 /nfs/dbraw/zinc/30/15/89/803301589.db2.gz KTVCIJHOBXPMMI-IBGZPJMESA-N 1 2 346.475 2.464 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)COc2ccc(CC)cc2)C1 ZINC001108379099 803403187 /nfs/dbraw/zinc/40/31/87/803403187.db2.gz TYPVORCALCSMJP-IBGZPJMESA-N 1 2 332.444 2.021 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)COc2ccc(CC)cc2)C1 ZINC001108379099 803403191 /nfs/dbraw/zinc/40/31/91/803403191.db2.gz TYPVORCALCSMJP-IBGZPJMESA-N 1 2 332.444 2.021 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(OCC)c(OC)c2)C1 ZINC001108390664 803420219 /nfs/dbraw/zinc/42/02/19/803420219.db2.gz ISRQXJAQLPEVKO-LJQANCHMSA-N 1 2 348.443 2.101 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(OCC)c(OC)c2)C1 ZINC001108390664 803420222 /nfs/dbraw/zinc/42/02/22/803420222.db2.gz ISRQXJAQLPEVKO-LJQANCHMSA-N 1 2 348.443 2.101 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC001108385408 803431435 /nfs/dbraw/zinc/43/14/35/803431435.db2.gz GTQHVFSXTZQWOF-IBGZPJMESA-N 1 2 325.412 2.012 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC001108385408 803431436 /nfs/dbraw/zinc/43/14/36/803431436.db2.gz GTQHVFSXTZQWOF-IBGZPJMESA-N 1 2 325.412 2.012 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2c[nH]c3ccc(C)cc32)C1 ZINC001108426679 803527851 /nfs/dbraw/zinc/52/78/51/803527851.db2.gz QBVSDPMIJQBWPW-LJQANCHMSA-N 1 2 327.428 2.483 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2c[nH]c3ccc(C)cc32)C1 ZINC001108426679 803527852 /nfs/dbraw/zinc/52/78/52/803527852.db2.gz QBVSDPMIJQBWPW-LJQANCHMSA-N 1 2 327.428 2.483 20 30 EEEDLO C[C@@H](CNc1cccc(F)c1C#N)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001108587948 804245343 /nfs/dbraw/zinc/24/53/43/804245343.db2.gz AESPHVMYIDJFJF-QWHCGFSZSA-N 1 2 341.390 2.073 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@@H](C)CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001108995569 804796531 /nfs/dbraw/zinc/79/65/31/804796531.db2.gz IEHVXDNUPATXTJ-UONOGXRCSA-N 1 2 346.475 2.196 20 30 EEEDLO COC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109058088 804899284 /nfs/dbraw/zinc/89/92/84/804899284.db2.gz ZLTXOOOXHNVRDP-NBMRYCAZSA-N 1 2 327.428 2.062 20 30 EEEDLO COC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109058088 804899291 /nfs/dbraw/zinc/89/92/91/804899291.db2.gz ZLTXOOOXHNVRDP-NBMRYCAZSA-N 1 2 327.428 2.062 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)CN(C)c3ccc(C#N)cn3)ccn12 ZINC001109100851 804941068 /nfs/dbraw/zinc/94/10/68/804941068.db2.gz VVGCWLCTPSWCRT-CYBMUJFWSA-N 1 2 348.410 2.164 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001109189290 805104307 /nfs/dbraw/zinc/10/43/07/805104307.db2.gz JZYYLDAKNYUGGJ-CQSZACIVSA-N 1 2 345.491 2.008 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001109189290 805104313 /nfs/dbraw/zinc/10/43/13/805104313.db2.gz JZYYLDAKNYUGGJ-CQSZACIVSA-N 1 2 345.491 2.008 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109251896 805195295 /nfs/dbraw/zinc/19/52/95/805195295.db2.gz PJFRSBBCTHBOKS-QYZOEREBSA-N 1 2 349.434 2.202 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC1CC1)C2 ZINC001109251896 805195296 /nfs/dbraw/zinc/19/52/96/805195296.db2.gz PJFRSBBCTHBOKS-QYZOEREBSA-N 1 2 349.434 2.202 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(Cl)Cl ZINC001109267881 805214407 /nfs/dbraw/zinc/21/44/07/805214407.db2.gz SVZHVHSXFXTLGY-NDBYEHHHSA-N 1 2 331.243 2.065 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(Cl)Cl ZINC001109267881 805214413 /nfs/dbraw/zinc/21/44/13/805214413.db2.gz SVZHVHSXFXTLGY-NDBYEHHHSA-N 1 2 331.243 2.065 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCC1 ZINC001109338739 805321690 /nfs/dbraw/zinc/32/16/90/805321690.db2.gz UESGGOPHSXZSHZ-IKGGRYGDSA-N 1 2 347.503 2.369 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCC1 ZINC001109338739 805321696 /nfs/dbraw/zinc/32/16/96/805321696.db2.gz UESGGOPHSXZSHZ-IKGGRYGDSA-N 1 2 347.503 2.369 20 30 EEEDLO CO[C@@H](C)CCC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001112788204 807245040 /nfs/dbraw/zinc/24/50/40/807245040.db2.gz YAJUYCGLDFIEIT-INIZCTEOSA-N 1 2 345.443 2.048 20 30 EEEDLO C#CCOCCC(=O)N1CC[NH+](CCc2ccccc2Cl)CC1 ZINC001112845219 807401271 /nfs/dbraw/zinc/40/12/71/807401271.db2.gz YVCFQERZDLHQQE-UHFFFAOYSA-N 1 2 334.847 2.067 20 30 EEEDLO C=CC(C)(C)CC(=O)NC1CC(CNc2[nH+]cnc3c2cnn3C)C1 ZINC001112855915 807454886 /nfs/dbraw/zinc/45/48/86/807454886.db2.gz QURXMJYFXVWMIZ-UHFFFAOYSA-N 1 2 342.447 2.272 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC001112885197 807538125 /nfs/dbraw/zinc/53/81/25/807538125.db2.gz KVASJXXPQRQUPO-OAHLLOKOSA-N 1 2 344.883 2.105 20 30 EEEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000788543093 807567340 /nfs/dbraw/zinc/56/73/40/807567340.db2.gz VOMOHHVJEORNKR-AWEZNQCLSA-N 1 2 347.463 2.299 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(C3CC3)c2)[C@@H](O)C1 ZINC001090446204 807966032 /nfs/dbraw/zinc/96/60/32/807966032.db2.gz PTDJSHDCGIXHEN-ROUUACIJSA-N 1 2 348.874 2.410 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cccc(C3CC3)c2)[C@@H](O)C1 ZINC001090446204 807966037 /nfs/dbraw/zinc/96/60/37/807966037.db2.gz PTDJSHDCGIXHEN-ROUUACIJSA-N 1 2 348.874 2.410 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCOC[C@@H]2CCCCO2)CC1 ZINC001113184482 808400910 /nfs/dbraw/zinc/40/09/10/808400910.db2.gz IIMCZPROOHHYHA-KRWDZBQOSA-N 1 2 338.492 2.319 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC001113229085 808491156 /nfs/dbraw/zinc/49/11/56/808491156.db2.gz CNNADJKAMQXELI-KGLIPLIRSA-N 1 2 328.416 2.325 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@H](C)[C@H](C)Nc2nccnc2C#N)c(C)[nH+]1 ZINC001113381738 808866031 /nfs/dbraw/zinc/86/60/31/808866031.db2.gz HNEGVHMBERSNDO-QWHCGFSZSA-N 1 2 338.415 2.287 20 30 EEEDLO Cc1cccnc1C[NH+]1CCN(C(=O)CC#Cc2ccccc2)CC1 ZINC001113668404 809495907 /nfs/dbraw/zinc/49/59/07/809495907.db2.gz GHQAKXUAAUZYDZ-UHFFFAOYSA-N 1 2 333.435 2.476 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H](C)N(C)c2nc(C)[nH+]c(C)c2C)cn1 ZINC001113663777 809506276 /nfs/dbraw/zinc/50/62/76/809506276.db2.gz PGGMNCTVOWJLAD-GFCCVEGCSA-N 1 2 337.427 2.033 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](CCOC2CCCCCC2)CC1 ZINC001113712845 809617957 /nfs/dbraw/zinc/61/79/57/809617957.db2.gz GXYVMPAUBBAVGU-KRWDZBQOSA-N 1 2 338.492 2.461 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)N(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001113821332 809849920 /nfs/dbraw/zinc/84/99/20/809849920.db2.gz BJGSVMCYJJVYAM-CABCVRRESA-N 1 2 345.491 2.008 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)N(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001113821332 809849922 /nfs/dbraw/zinc/84/99/22/809849922.db2.gz BJGSVMCYJJVYAM-CABCVRRESA-N 1 2 345.491 2.008 20 30 EEEDLO C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)N(C)c1cccc(F)c1C#N ZINC001113903201 810040092 /nfs/dbraw/zinc/04/00/92/810040092.db2.gz VOZDUGYLYDPEBF-KBPBESRZSA-N 1 2 343.406 2.486 20 30 EEEDLO C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)N(C)c1ccncc1C#N ZINC001113970680 810131261 /nfs/dbraw/zinc/13/12/61/810131261.db2.gz VNYSXHRQQDWTGS-LBPRGKRZSA-N 1 2 334.383 2.084 20 30 EEEDLO CCCC[C@H](CNc1[nH+]cnc2c1cnn2C)NC(=O)C#CC(C)C ZINC001114256578 810692670 /nfs/dbraw/zinc/69/26/70/810692670.db2.gz DQCQCVSJLRFJTA-CQSZACIVSA-N 1 2 342.447 2.110 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CCC2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129422318 810834398 /nfs/dbraw/zinc/83/43/98/810834398.db2.gz PMKZJDNEKYEQHW-MSOLQXFVSA-N 1 2 343.475 2.003 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CCC2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129422318 810834403 /nfs/dbraw/zinc/83/44/03/810834403.db2.gz PMKZJDNEKYEQHW-MSOLQXFVSA-N 1 2 343.475 2.003 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CCCOCC)C[C@H](C)O2 ZINC001131638055 813056296 /nfs/dbraw/zinc/05/62/96/813056296.db2.gz GDRZMLZELHXTQZ-RDJZCZTQSA-N 1 2 344.883 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCCOCC)C[C@H](C)O2 ZINC001131638055 813056302 /nfs/dbraw/zinc/05/63/02/813056302.db2.gz GDRZMLZELHXTQZ-RDJZCZTQSA-N 1 2 344.883 2.247 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)O[C@]2(CC[N@H+](Cc3cscn3)C2)C1 ZINC001131650923 813081823 /nfs/dbraw/zinc/08/18/23/813081823.db2.gz YMBBKRDOCMXJHI-YOEHRIQHSA-N 1 2 335.473 2.301 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)O[C@]2(CC[N@@H+](Cc3cscn3)C2)C1 ZINC001131650923 813081829 /nfs/dbraw/zinc/08/18/29/813081829.db2.gz YMBBKRDOCMXJHI-YOEHRIQHSA-N 1 2 335.473 2.301 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H](C)O[C@]2(CC[N@H+](Cc3ccon3)C2)C1 ZINC001131661254 813088532 /nfs/dbraw/zinc/08/85/32/813088532.db2.gz LNJQVJBZANXLCX-KXBFYZLASA-N 1 2 347.459 2.469 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H](C)O[C@]2(CC[N@@H+](Cc3ccon3)C2)C1 ZINC001131661254 813088542 /nfs/dbraw/zinc/08/85/42/813088542.db2.gz LNJQVJBZANXLCX-KXBFYZLASA-N 1 2 347.459 2.469 20 30 EEEDLO C#CCCCC(=O)N1C[C@@H](C)O[C@]2(CC[N@H+](Cc3nccs3)C2)C1 ZINC001131657330 813107995 /nfs/dbraw/zinc/10/79/95/813107995.db2.gz IMSAEKMQRKDONR-QAPCUYQASA-N 1 2 347.484 2.138 20 30 EEEDLO C#CCCCC(=O)N1C[C@@H](C)O[C@]2(CC[N@@H+](Cc3nccs3)C2)C1 ZINC001131657330 813108000 /nfs/dbraw/zinc/10/80/00/813108000.db2.gz IMSAEKMQRKDONR-QAPCUYQASA-N 1 2 347.484 2.138 20 30 EEEDLO C#CCCCC(=O)N1C[C@@H](C)O[C@]2(CC[N@H+](Cc3cscn3)C2)C1 ZINC001131658638 813108688 /nfs/dbraw/zinc/10/86/88/813108688.db2.gz VMOKWJCSVPXLHD-QAPCUYQASA-N 1 2 347.484 2.138 20 30 EEEDLO C#CCCCC(=O)N1C[C@@H](C)O[C@]2(CC[N@@H+](Cc3cscn3)C2)C1 ZINC001131658638 813108693 /nfs/dbraw/zinc/10/86/93/813108693.db2.gz VMOKWJCSVPXLHD-QAPCUYQASA-N 1 2 347.484 2.138 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2nn(C)c(C)c2Cl)C1 ZINC001033464542 1194600401 /nfs/dbraw/zinc/60/04/01/1194600401.db2.gz ACKIUDIOSLHTIF-LLVKDONJSA-N 1 2 331.247 2.281 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nn(C)c(C)c2Cl)C1 ZINC001033464542 1194600404 /nfs/dbraw/zinc/60/04/04/1194600404.db2.gz ACKIUDIOSLHTIF-LLVKDONJSA-N 1 2 331.247 2.281 20 30 EEEDLO N#Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)C(F)C(F)(F)F)C2)ccc1F ZINC001436896505 1088547863 /nfs/dbraw/zinc/54/78/63/1088547863.db2.gz XVUXDRIGLOCDOM-NQBHXWOUSA-N 1 2 347.287 2.335 20 30 EEEDLO N#Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](F)C(F)(F)F)C2)ccc1F ZINC001436896505 1088547870 /nfs/dbraw/zinc/54/78/70/1088547870.db2.gz XVUXDRIGLOCDOM-NQBHXWOUSA-N 1 2 347.287 2.335 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1c[nH]nc1-c1ccccn1 ZINC001438877288 1091521621 /nfs/dbraw/zinc/52/16/21/1091521621.db2.gz KBFMARGTZGEJPR-UHFFFAOYSA-N 1 2 333.823 2.228 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1c[nH]nc1-c1ccccn1 ZINC001438877288 1091521628 /nfs/dbraw/zinc/52/16/28/1091521628.db2.gz KBFMARGTZGEJPR-UHFFFAOYSA-N 1 2 333.823 2.228 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1CCN(C(=O)C(C)C)CC1 ZINC001440961248 1094218122 /nfs/dbraw/zinc/21/81/22/1094218122.db2.gz XRLRMQUTDTYUBL-AWEZNQCLSA-N 1 2 343.899 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1CCN(C(=O)C(C)C)CC1 ZINC001440961248 1094218126 /nfs/dbraw/zinc/21/81/26/1094218126.db2.gz XRLRMQUTDTYUBL-AWEZNQCLSA-N 1 2 343.899 2.070 20 30 EEEDLO CCn1nccc1C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC001443000120 1097420337 /nfs/dbraw/zinc/42/03/37/1097420337.db2.gz XMPVEJMNUUYLMP-UHFFFAOYSA-N 1 2 337.427 2.169 20 30 EEEDLO CCn1nccc1C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC001443000120 1097420338 /nfs/dbraw/zinc/42/03/38/1097420338.db2.gz XMPVEJMNUUYLMP-UHFFFAOYSA-N 1 2 337.427 2.169 20 30 EEEDLO CCOCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001480311929 1100037403 /nfs/dbraw/zinc/03/74/03/1100037403.db2.gz OWCYXHKHOKBVQG-MRXNPFEDSA-N 1 2 333.407 2.205 20 30 EEEDLO CCOCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001480311929 1100037407 /nfs/dbraw/zinc/03/74/07/1100037407.db2.gz OWCYXHKHOKBVQG-MRXNPFEDSA-N 1 2 333.407 2.205 20 30 EEEDLO CC[C@H](C)OCC(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001496688066 1101287540 /nfs/dbraw/zinc/28/75/40/1101287540.db2.gz CBJGXKQHNAHNEI-AWEZNQCLSA-N 1 2 335.423 2.403 20 30 EEEDLO CC[C@H](C)OCC(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001496688066 1101287544 /nfs/dbraw/zinc/28/75/44/1101287544.db2.gz CBJGXKQHNAHNEI-AWEZNQCLSA-N 1 2 335.423 2.403 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)COCc2cccnc2)C1 ZINC001494918181 1104554772 /nfs/dbraw/zinc/55/47/72/1104554772.db2.gz KOHKRJASARZYGI-MRXNPFEDSA-N 1 2 337.851 2.274 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)COCc2cccnc2)C1 ZINC001494918181 1104554776 /nfs/dbraw/zinc/55/47/76/1104554776.db2.gz KOHKRJASARZYGI-MRXNPFEDSA-N 1 2 337.851 2.274 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1cccc(C#N)c1 ZINC001520597022 1119179445 /nfs/dbraw/zinc/17/94/45/1119179445.db2.gz UUWCBZZPGBELBY-UHFFFAOYSA-N 1 2 347.426 2.296 20 30 EEEDLO C=CCc1cc(C(=O)NCCc2[nH+]ccn2C)cc(OC)c1OC ZINC001520844228 1119198242 /nfs/dbraw/zinc/19/82/42/1119198242.db2.gz SCSILXFLIWMFAF-UHFFFAOYSA-N 1 2 329.400 2.138 20 30 EEEDLO N#Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2-n2cc[nH+]c2)s1 ZINC001526382101 1120510248 /nfs/dbraw/zinc/51/02/48/1120510248.db2.gz DNBUCEAPYRPSAL-UHFFFAOYSA-N 1 2 337.364 2.157 20 30 EEEDLO COc1cccc(S(=O)(=O)CC[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000102397096 219199440 /nfs/dbraw/zinc/19/94/40/219199440.db2.gz RHWHLUGAORMZSE-UHFFFAOYSA-N 1 2 344.436 2.473 20 30 EEEDLO COc1cccc(S(=O)(=O)CC[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000102397096 219199442 /nfs/dbraw/zinc/19/94/42/219199442.db2.gz RHWHLUGAORMZSE-UHFFFAOYSA-N 1 2 344.436 2.473 20 30 EEEDLO C[C@@H]1C[C@H](C)[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)O1 ZINC000328658163 539757395 /nfs/dbraw/zinc/75/73/95/539757395.db2.gz QOEIWPZLFNJJND-RGHULWKBSA-N 1 2 338.427 2.103 20 30 EEEDLO O=C(C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)NC[C@H]1COc2ccccc2O1 ZINC000328764304 539760536 /nfs/dbraw/zinc/76/05/36/539760536.db2.gz OQWZJFPAJKDSGA-HRCADAONSA-N 1 2 346.427 2.426 20 30 EEEDLO O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)NC[C@H]1COc2ccccc2O1 ZINC000328764304 539760531 /nfs/dbraw/zinc/76/05/31/539760531.db2.gz OQWZJFPAJKDSGA-HRCADAONSA-N 1 2 346.427 2.426 20 30 EEEDLO C[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000329931105 539785871 /nfs/dbraw/zinc/78/58/71/539785871.db2.gz IDCVIZQNNUSAOX-AJNGGQMLSA-N 1 2 338.427 2.104 20 30 EEEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C[C@@H]3CCOC3)c2)CC1 ZINC000329985135 539786684 /nfs/dbraw/zinc/78/66/84/539786684.db2.gz CWNJCGKZJRLAPL-KRWDZBQOSA-N 1 2 345.443 2.365 20 30 EEEDLO COCc1noc([C@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000181548819 234226721 /nfs/dbraw/zinc/22/67/21/234226721.db2.gz DDFFJLAHYAJNOG-AWEZNQCLSA-N 1 2 341.415 2.361 20 30 EEEDLO COCc1noc([C@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000181548819 234226725 /nfs/dbraw/zinc/22/67/25/234226725.db2.gz DDFFJLAHYAJNOG-AWEZNQCLSA-N 1 2 341.415 2.361 20 30 EEEDLO CCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@H](C)C(=O)OCC ZINC000429706808 283089301 /nfs/dbraw/zinc/08/93/01/283089301.db2.gz FCXFYSHLTBDYFL-OAHLLOKOSA-N 1 2 337.464 2.335 20 30 EEEDLO CCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@H](C)C(=O)OCC ZINC000429706808 283089308 /nfs/dbraw/zinc/08/93/08/283089308.db2.gz FCXFYSHLTBDYFL-OAHLLOKOSA-N 1 2 337.464 2.335 20 30 EEEDLO COC[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000093528330 237045470 /nfs/dbraw/zinc/04/54/70/237045470.db2.gz MFWAUIIQTALCMG-SFHVURJKSA-N 1 2 340.427 2.311 20 30 EEEDLO COC[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000093528330 237045479 /nfs/dbraw/zinc/04/54/79/237045479.db2.gz MFWAUIIQTALCMG-SFHVURJKSA-N 1 2 340.427 2.311 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)CCCCC#N ZINC000111364168 237147911 /nfs/dbraw/zinc/14/79/11/237147911.db2.gz ANBGBEPIXIMDKS-MRXNPFEDSA-N 1 2 335.473 2.216 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)CCCCC#N ZINC000111364168 237147920 /nfs/dbraw/zinc/14/79/20/237147920.db2.gz ANBGBEPIXIMDKS-MRXNPFEDSA-N 1 2 335.473 2.216 20 30 EEEDLO C=CC[N@@H+](CCOc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000072629648 216284710 /nfs/dbraw/zinc/28/47/10/216284710.db2.gz BYHMVYSOUZBLAJ-OAHLLOKOSA-N 1 2 339.457 2.139 20 30 EEEDLO C=CC[N@H+](CCOc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 ZINC000072629648 216284713 /nfs/dbraw/zinc/28/47/13/216284713.db2.gz BYHMVYSOUZBLAJ-OAHLLOKOSA-N 1 2 339.457 2.139 20 30 EEEDLO C=CCOc1ccc(CC(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1 ZINC000451663843 243196962 /nfs/dbraw/zinc/19/69/62/243196962.db2.gz BFAJUNHFXHUIHM-LJQANCHMSA-N 1 2 337.423 2.362 20 30 EEEDLO CCc1ncc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)s1 ZINC000264336111 246368303 /nfs/dbraw/zinc/36/83/03/246368303.db2.gz ONNCTAKVFYCUGS-GFCCVEGCSA-N 1 2 328.445 2.078 20 30 EEEDLO CCc1ncc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)s1 ZINC000264336111 246368307 /nfs/dbraw/zinc/36/83/07/246368307.db2.gz ONNCTAKVFYCUGS-GFCCVEGCSA-N 1 2 328.445 2.078 20 30 EEEDLO CCOC(=O)N1CCC[N@H+](Cn2nc(C#N)c3ccccc32)CC1 ZINC000495253834 247101134 /nfs/dbraw/zinc/10/11/34/247101134.db2.gz QCGYJHLGBNZJJS-UHFFFAOYSA-N 1 2 327.388 2.030 20 30 EEEDLO CCOC(=O)N1CCC[N@@H+](Cn2nc(C#N)c3ccccc32)CC1 ZINC000495253834 247101137 /nfs/dbraw/zinc/10/11/37/247101137.db2.gz QCGYJHLGBNZJJS-UHFFFAOYSA-N 1 2 327.388 2.030 20 30 EEEDLO C#CCOc1cc(F)ccc1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000266365108 248266236 /nfs/dbraw/zinc/26/62/36/248266236.db2.gz FGCYZCBKZZVKIN-UHFFFAOYSA-N 1 2 349.406 2.070 20 30 EEEDLO Cc1ccc(C(=O)N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000268637206 252089209 /nfs/dbraw/zinc/08/92/09/252089209.db2.gz RKZSFGGSCNHMTM-FQEVSTJZSA-N 1 2 349.434 2.358 20 30 EEEDLO COC(=O)C1([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CCCCCC1 ZINC000154792807 533255287 /nfs/dbraw/zinc/25/52/87/533255287.db2.gz BEMLRTZVQWJDRG-INIZCTEOSA-N 1 2 346.427 2.154 20 30 EEEDLO C#C[C@H](CCC)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000491439247 533309888 /nfs/dbraw/zinc/30/98/88/533309888.db2.gz ISOGOPZWFWNNCL-CVEARBPZSA-N 1 2 348.516 2.138 20 30 EEEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000374297793 154038147 /nfs/dbraw/zinc/03/81/47/154038147.db2.gz RMQXYPZLRLKQLI-SJORKVTESA-N 1 2 326.400 2.005 20 30 EEEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000374297793 154038152 /nfs/dbraw/zinc/03/81/52/154038152.db2.gz RMQXYPZLRLKQLI-SJORKVTESA-N 1 2 326.400 2.005 20 30 EEEDLO CC(C)(C)CCNC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554330 159252226 /nfs/dbraw/zinc/25/22/26/159252226.db2.gz GICJFVMTDLLKRQ-UHFFFAOYSA-N 1 2 328.460 2.233 20 30 EEEDLO CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554472 159252333 /nfs/dbraw/zinc/25/23/33/159252333.db2.gz XWBPFVPBDQZALX-HNNXBMFYSA-N 1 2 328.460 2.374 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)c1 ZINC000104090852 159282025 /nfs/dbraw/zinc/28/20/25/159282025.db2.gz KZWCYSNDNLBQSR-MRXNPFEDSA-N 1 2 333.432 2.237 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)c1 ZINC000104090852 159282026 /nfs/dbraw/zinc/28/20/26/159282026.db2.gz KZWCYSNDNLBQSR-MRXNPFEDSA-N 1 2 333.432 2.237 20 30 EEEDLO COCc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000342194361 161046847 /nfs/dbraw/zinc/04/68/47/161046847.db2.gz RINWPQRCFDAANR-UHFFFAOYSA-N 1 2 339.395 2.256 20 30 EEEDLO CC(C)Cn1ncnc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344111211 161199177 /nfs/dbraw/zinc/19/91/77/161199177.db2.gz JTXVUZSKOSFEID-UHFFFAOYSA-N 1 2 327.432 2.454 20 30 EEEDLO CC(C)Cn1ncnc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344111211 161199178 /nfs/dbraw/zinc/19/91/78/161199178.db2.gz JTXVUZSKOSFEID-UHFFFAOYSA-N 1 2 327.432 2.454 20 30 EEEDLO CC[C@H](C(=O)OC)N1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000352723443 162261198 /nfs/dbraw/zinc/26/11/98/162261198.db2.gz IXBZQAQFJCMECS-MRXNPFEDSA-N 1 2 335.835 2.281 20 30 EEEDLO N#Cc1ccc(C(=O)CNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000356153514 163351667 /nfs/dbraw/zinc/35/16/67/163351667.db2.gz MDINTJCCRHQKHK-SFHVURJKSA-N 1 2 333.391 2.132 20 30 EEEDLO N#Cc1ccc(C(=O)CNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000356153514 163351670 /nfs/dbraw/zinc/35/16/70/163351670.db2.gz MDINTJCCRHQKHK-SFHVURJKSA-N 1 2 333.391 2.132 20 30 EEEDLO C[C@@H](C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1)c1cccc(C#N)c1 ZINC000360727886 164370336 /nfs/dbraw/zinc/37/03/36/164370336.db2.gz IHJPIKPGZILFNN-DNVCBOLYSA-N 1 2 341.455 2.231 20 30 EEEDLO C[C@@H](C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1)c1cccc(C#N)c1 ZINC000360727886 164370337 /nfs/dbraw/zinc/37/03/37/164370337.db2.gz IHJPIKPGZILFNN-DNVCBOLYSA-N 1 2 341.455 2.231 20 30 EEEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000374355019 167024328 /nfs/dbraw/zinc/02/43/28/167024328.db2.gz XBJNEPZPHDTWGF-KRWDZBQOSA-N 1 2 327.409 2.023 20 30 EEEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000374355019 167024331 /nfs/dbraw/zinc/02/43/31/167024331.db2.gz XBJNEPZPHDTWGF-KRWDZBQOSA-N 1 2 327.409 2.023 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(C4CC4)no3)CC2)cc1 ZINC000283076382 270016881 /nfs/dbraw/zinc/01/68/81/270016881.db2.gz UCRSRKZNEOTZRK-UHFFFAOYSA-N 1 2 336.395 2.382 20 30 EEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000174221903 265810901 /nfs/dbraw/zinc/81/09/01/265810901.db2.gz FMHXGXFQESWMLX-GFCCVEGCSA-N 1 2 343.387 2.458 20 30 EEEDLO CC[C@@](C)([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)OC ZINC000299186552 266390534 /nfs/dbraw/zinc/39/05/34/266390534.db2.gz ANUFIUOGOUONEJ-MRXNPFEDSA-N 1 2 337.807 2.472 20 30 EEEDLO Cc1[nH+]c2cc(NC(=O)C(=O)Nc3ccc(C#N)cc3)ccc2n1C ZINC000527433154 268079358 /nfs/dbraw/zinc/07/93/58/268079358.db2.gz WWQVPHOPZMJEFC-UHFFFAOYSA-N 1 2 333.351 2.331 20 30 EEEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000280491609 268085459 /nfs/dbraw/zinc/08/54/59/268085459.db2.gz VPDKJKZEFJSVCP-KRWDZBQOSA-N 1 2 333.395 2.254 20 30 EEEDLO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cscn1 ZINC000277225507 269144117 /nfs/dbraw/zinc/14/41/17/269144117.db2.gz LTXKJRXXKVNKII-DOMZBBRYSA-N 1 2 326.425 2.466 20 30 EEEDLO CCc1nn(Cc2[nH+]ccn2-c2ccccc2)c(=O)c(C#N)c1CC ZINC000277373922 269151654 /nfs/dbraw/zinc/15/16/54/269151654.db2.gz ANTWRQJVSOFOPV-UHFFFAOYSA-N 1 2 333.395 2.474 20 30 EEEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000280633344 269380458 /nfs/dbraw/zinc/38/04/58/269380458.db2.gz UAFJIUJWRDLGRO-UHFFFAOYSA-N 1 2 339.395 2.297 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000264054433 276890068 /nfs/dbraw/zinc/89/00/68/276890068.db2.gz JDIRGJRLJICTPW-CYBMUJFWSA-N 1 2 344.381 2.466 20 30 EEEDLO Cc1c(C#N)cccc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000180243295 300911958 /nfs/dbraw/zinc/91/19/58/300911958.db2.gz PPUBRTFIXCOZIH-INIZCTEOSA-N 1 2 328.416 2.195 20 30 EEEDLO CCc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)nn1 ZINC000545372226 318219452 /nfs/dbraw/zinc/21/94/52/318219452.db2.gz RWVDQIBIWAGYFV-UHFFFAOYSA-N 1 2 349.438 2.177 20 30 EEEDLO COCC1(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000574325388 320015420 /nfs/dbraw/zinc/01/54/20/320015420.db2.gz LXBAYYAHOGRYKH-UHFFFAOYSA-N 1 2 327.428 2.019 20 30 EEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](n4ccnn4)C3)o2)cc1 ZINC000582118425 324383699 /nfs/dbraw/zinc/38/36/99/324383699.db2.gz DJUJYAHYRJFJOC-OAHLLOKOSA-N 1 2 335.371 2.037 20 30 EEEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](n4ccnn4)C3)o2)cc1 ZINC000582118425 324383703 /nfs/dbraw/zinc/38/37/03/324383703.db2.gz DJUJYAHYRJFJOC-OAHLLOKOSA-N 1 2 335.371 2.037 20 30 EEEDLO Cc1nc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)ccc1C#N ZINC000487762943 447837140 /nfs/dbraw/zinc/83/71/40/447837140.db2.gz PAOLBLNXILYIOX-HOTGVXAUSA-N 1 2 328.395 2.020 20 30 EEEDLO Cc1nc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)ccc1C#N ZINC000487762943 447837142 /nfs/dbraw/zinc/83/71/42/447837142.db2.gz PAOLBLNXILYIOX-HOTGVXAUSA-N 1 2 328.395 2.020 20 30 EEEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCSCC3)c2)nc1N ZINC000601241038 449767947 /nfs/dbraw/zinc/76/79/47/449767947.db2.gz VMTKVDFJVKSHFD-UHFFFAOYSA-N 1 2 326.429 2.096 20 30 EEEDLO C[N@@H+]1CCN(S(=O)(=O)CC(C)(C)CC#N)[C@@H](c2ccccc2)C1 ZINC000296056150 465066060 /nfs/dbraw/zinc/06/60/60/465066060.db2.gz ULJJHHRBMYCWIT-MRXNPFEDSA-N 1 2 335.473 2.245 20 30 EEEDLO C[N@H+]1CCN(S(=O)(=O)CC(C)(C)CC#N)[C@@H](c2ccccc2)C1 ZINC000296056150 465066067 /nfs/dbraw/zinc/06/60/67/465066067.db2.gz ULJJHHRBMYCWIT-MRXNPFEDSA-N 1 2 335.473 2.245 20 30 EEEDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)NCc2cccc(C#N)c2)o1 ZINC000347616363 465124022 /nfs/dbraw/zinc/12/40/22/465124022.db2.gz MTHWXZVDVFFDJX-KRWDZBQOSA-N 1 2 341.411 2.307 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)C[C@@H]2CCCO2)CCC(=O)N1C1CC1 ZINC000328967998 465185312 /nfs/dbraw/zinc/18/53/12/465185312.db2.gz AFIKSAUNJXGNED-PMUMKWKESA-N 1 2 346.431 2.140 20 30 EEEDLO C=CCOCC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000354909280 465210116 /nfs/dbraw/zinc/21/01/16/465210116.db2.gz LCFKYBNKNJKTHY-UHFFFAOYSA-N 1 2 339.399 2.464 20 30 EEEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000355097534 465223659 /nfs/dbraw/zinc/22/36/59/465223659.db2.gz OSJTVBVWNMRKMH-CQSZACIVSA-N 1 2 344.415 2.071 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](c2cnn(C)c2)c2cccc(F)c2)C1=O ZINC000337175975 465228551 /nfs/dbraw/zinc/22/85/51/465228551.db2.gz IZMLJBYNMHBASN-MSOLQXFVSA-N 1 2 342.418 2.367 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](c2cnn(C)c2)c2cccc(F)c2)C1=O ZINC000337175975 465228555 /nfs/dbraw/zinc/22/85/55/465228555.db2.gz IZMLJBYNMHBASN-MSOLQXFVSA-N 1 2 342.418 2.367 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000337233894 465259147 /nfs/dbraw/zinc/25/91/47/465259147.db2.gz WSIRUWUVXIJNBY-CJNGLKHVSA-N 1 2 341.814 2.157 20 30 EEEDLO COCC1(C#N)CC[NH+](Cc2nnc(-c3ccc(OC)cc3)o2)CC1 ZINC000341976944 465280059 /nfs/dbraw/zinc/28/00/59/465280059.db2.gz LFXUZGDZUVCHFO-UHFFFAOYSA-N 1 2 342.399 2.497 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000329292191 465290067 /nfs/dbraw/zinc/29/00/67/465290067.db2.gz RBECNISUNRCYRQ-ZDUSSCGKSA-N 1 2 335.429 2.269 20 30 EEEDLO C=CC[C@@H](CO)CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000342213334 465303025 /nfs/dbraw/zinc/30/30/25/465303025.db2.gz QCXHOUNGMUENDA-NVXWUHKLSA-N 1 2 334.485 2.077 20 30 EEEDLO Cc1ccc([C@H](CNC(=O)NCC(C)(C)C#N)[NH+]2CCOCC2)cc1 ZINC000351793346 465365726 /nfs/dbraw/zinc/36/57/26/465365726.db2.gz NETZYFSIQKQIFI-KRWDZBQOSA-N 1 2 344.459 2.217 20 30 EEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000568180824 468286645 /nfs/dbraw/zinc/28/66/45/468286645.db2.gz CWMJVCJBUSWMJM-GJZGRUSLSA-N 1 2 330.432 2.029 20 30 EEEDLO C=C(C)CN(CC)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000045877087 462626758 /nfs/dbraw/zinc/62/67/58/462626758.db2.gz MEJCRELDCDZNGV-OAHLLOKOSA-N 1 2 332.448 2.414 20 30 EEEDLO C=CC[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1cccc(C#N)c1 ZINC000063299736 462639608 /nfs/dbraw/zinc/63/96/08/462639608.db2.gz LMYNSDZOTVFSKM-UHFFFAOYSA-N 1 2 335.411 2.202 20 30 EEEDLO C=CC[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1cccc(C#N)c1 ZINC000063299736 462639613 /nfs/dbraw/zinc/63/96/13/462639613.db2.gz LMYNSDZOTVFSKM-UHFFFAOYSA-N 1 2 335.411 2.202 20 30 EEEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000063589869 462656453 /nfs/dbraw/zinc/65/64/53/462656453.db2.gz MYWHELBAPUVQKP-UHFFFAOYSA-N 1 2 346.374 2.035 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)CCC(=O)c2ccc(OCC)cc2)CC1 ZINC000064443447 462703694 /nfs/dbraw/zinc/70/36/94/462703694.db2.gz CNYPXZBGEUKARN-UHFFFAOYSA-N 1 2 342.439 2.216 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076181488 462818761 /nfs/dbraw/zinc/81/87/61/462818761.db2.gz GQHWUPUWRBTHKX-LPEHRKFASA-N 1 2 345.287 2.420 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076181488 462818764 /nfs/dbraw/zinc/81/87/64/462818764.db2.gz GQHWUPUWRBTHKX-LPEHRKFASA-N 1 2 345.287 2.420 20 30 EEEDLO C[C@H](Sc1[nH+]cnc2c1cnn2C)C(=O)Nc1ccccc1C#N ZINC000011680783 462836746 /nfs/dbraw/zinc/83/67/46/462836746.db2.gz CYIUNSQWLHKBDV-JTQLQIEISA-N 1 2 338.396 2.354 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)cc1 ZINC000048261212 462882318 /nfs/dbraw/zinc/88/23/18/462882318.db2.gz YZAGKVUWWXFDPH-UHFFFAOYSA-N 1 2 335.411 2.117 20 30 EEEDLO C#CC[N@@H+](CCCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000077282779 462962342 /nfs/dbraw/zinc/96/23/42/462962342.db2.gz WPBNUBSNMSGCQP-MRXNPFEDSA-N 1 2 325.861 2.395 20 30 EEEDLO C#CC[N@H+](CCCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000077282779 462962344 /nfs/dbraw/zinc/96/23/44/462962344.db2.gz WPBNUBSNMSGCQP-MRXNPFEDSA-N 1 2 325.861 2.395 20 30 EEEDLO Cc1cccc([C@@H](C)C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000120365754 462990588 /nfs/dbraw/zinc/99/05/88/462990588.db2.gz IWNZRGJYPJSKHJ-QGZVFWFLSA-N 1 2 329.444 2.173 20 30 EEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cnn(C)c2)c1C ZINC000051234759 463027179 /nfs/dbraw/zinc/02/71/79/463027179.db2.gz XSMPKZLPJBOMER-UHFFFAOYSA-N 1 2 339.443 2.416 20 30 EEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cnn(C)c2)c1C ZINC000051234759 463027181 /nfs/dbraw/zinc/02/71/81/463027181.db2.gz XSMPKZLPJBOMER-UHFFFAOYSA-N 1 2 339.443 2.416 20 30 EEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cccc(I)c1 ZINC000491256094 468335181 /nfs/dbraw/zinc/33/51/81/468335181.db2.gz ZUDREMYFGMROEQ-JTQLQIEISA-N 1 2 342.180 2.183 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(I)c1 ZINC000491256094 468335186 /nfs/dbraw/zinc/33/51/86/468335186.db2.gz ZUDREMYFGMROEQ-JTQLQIEISA-N 1 2 342.180 2.183 20 30 EEEDLO C=CC[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000121314608 463114712 /nfs/dbraw/zinc/11/47/12/463114712.db2.gz WBFXXMAIDHTNDY-UHFFFAOYSA-N 1 2 339.321 2.342 20 30 EEEDLO C=CC[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000121314608 463114717 /nfs/dbraw/zinc/11/47/17/463114717.db2.gz WBFXXMAIDHTNDY-UHFFFAOYSA-N 1 2 339.321 2.342 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)CCn3cc[nH+]c3)C2)c(F)c1 ZINC000068531768 463147662 /nfs/dbraw/zinc/14/76/62/463147662.db2.gz JYOLQEMQHYZIEZ-HNNXBMFYSA-N 1 2 341.390 2.069 20 30 EEEDLO NC(=[NH+]OCC(=O)N1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000078825373 463154958 /nfs/dbraw/zinc/15/49/58/463154958.db2.gz UFKLPFJQNFVHKF-UHFFFAOYSA-N 1 2 329.322 2.355 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(F)c1 ZINC000026595052 463167819 /nfs/dbraw/zinc/16/78/19/463167819.db2.gz LXQWLVNQWSTRIV-UHFFFAOYSA-N 1 2 341.346 2.323 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000157928120 463186458 /nfs/dbraw/zinc/18/64/58/463186458.db2.gz NIWHTZJIMUWJQW-MOPGFXCFSA-N 1 2 344.455 2.012 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000157928120 463186460 /nfs/dbraw/zinc/18/64/60/463186460.db2.gz NIWHTZJIMUWJQW-MOPGFXCFSA-N 1 2 344.455 2.012 20 30 EEEDLO C[C@@H]1CCC[C@H](C)N1C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158158203 463210647 /nfs/dbraw/zinc/21/06/47/463210647.db2.gz OUANKCWHKJYSKO-BETUJISGSA-N 1 2 331.416 2.048 20 30 EEEDLO Cc1noc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000054677156 463253392 /nfs/dbraw/zinc/25/33/92/463253392.db2.gz UMCDXDBQTUXTMR-SWLSCSKDSA-N 1 2 339.399 2.456 20 30 EEEDLO Cc1noc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000054677156 463253395 /nfs/dbraw/zinc/25/33/95/463253395.db2.gz UMCDXDBQTUXTMR-SWLSCSKDSA-N 1 2 339.399 2.456 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)cc1 ZINC000030020701 463286005 /nfs/dbraw/zinc/28/60/05/463286005.db2.gz DYUBPLBXJSUPCD-HXUWFJFHSA-N 1 2 347.418 2.206 20 30 EEEDLO C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000123500429 463346759 /nfs/dbraw/zinc/34/67/59/463346759.db2.gz IWTIKCRVGAJYFN-HNNXBMFYSA-N 1 2 335.407 2.458 20 30 EEEDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000123500429 463346763 /nfs/dbraw/zinc/34/67/63/463346763.db2.gz IWTIKCRVGAJYFN-HNNXBMFYSA-N 1 2 335.407 2.458 20 30 EEEDLO Cc1ccc2[nH+]c(CNC(=O)N3CC[C@H]([C@H]4CCOC4)C3)cn2c1 ZINC000329738770 465420970 /nfs/dbraw/zinc/42/09/70/465420970.db2.gz MYEHBEDYNDPGPO-GJZGRUSLSA-N 1 2 328.416 2.415 20 30 EEEDLO C[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000170919110 463741890 /nfs/dbraw/zinc/74/18/90/463741890.db2.gz NOHSYQJCBNQHOD-ZIAGYGMSSA-N 1 2 347.463 2.345 20 30 EEEDLO COCCC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000268447959 463748086 /nfs/dbraw/zinc/74/80/86/463748086.db2.gz OQRGXYOQJYBBII-UHFFFAOYSA-N 1 2 341.455 2.409 20 30 EEEDLO COc1ccc(NC(=O)C[NH+]2CCC(CC#N)CC2)c([N+](=O)[O-])c1 ZINC000541021211 468374854 /nfs/dbraw/zinc/37/48/54/468374854.db2.gz VYVUGHRUBUDGCI-UHFFFAOYSA-N 1 2 332.360 2.168 20 30 EEEDLO CN(C)c1[nH+]cccc1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000171136059 463794699 /nfs/dbraw/zinc/79/46/99/463794699.db2.gz XEXYAEOKAJVOJR-UHFFFAOYSA-N 1 2 347.382 2.039 20 30 EEEDLO COCC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000283242752 463817183 /nfs/dbraw/zinc/81/71/83/463817183.db2.gz AGKYZPUSGJISIQ-UHFFFAOYSA-N 1 2 327.428 2.019 20 30 EEEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)NCCc2cccs2)cc1 ZINC000178141261 463851065 /nfs/dbraw/zinc/85/10/65/463851065.db2.gz XDBYALSCMGSCEI-LBPRGKRZSA-N 1 2 347.440 2.141 20 30 EEEDLO Cc1c(Cl)cccc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000194492373 463872502 /nfs/dbraw/zinc/87/25/02/463872502.db2.gz YHVMWXVOBFSSGL-UHFFFAOYSA-N 1 2 335.835 2.337 20 30 EEEDLO N#CCCCCNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000171499434 463874231 /nfs/dbraw/zinc/87/42/31/463874231.db2.gz ITOOPYYWDKPNTP-UHFFFAOYSA-N 1 2 339.399 2.336 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2nnc(C)o2)c(OC)c1 ZINC000542611453 468385841 /nfs/dbraw/zinc/38/58/41/468385841.db2.gz FZIVLDGLSYKQHW-SWLSCSKDSA-N 1 2 347.415 2.206 20 30 EEEDLO CC1(C)C[N@H+](CCNC(=O)N[C@H](CCC#N)c2ccccc2)CCO1 ZINC000178815100 463982291 /nfs/dbraw/zinc/98/22/91/463982291.db2.gz VKILDYNTRVKEBL-QGZVFWFLSA-N 1 2 344.459 2.441 20 30 EEEDLO CC1(C)C[N@@H+](CCNC(=O)N[C@H](CCC#N)c2ccccc2)CCO1 ZINC000178815100 463982295 /nfs/dbraw/zinc/98/22/95/463982295.db2.gz VKILDYNTRVKEBL-QGZVFWFLSA-N 1 2 344.459 2.441 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000195200510 464016238 /nfs/dbraw/zinc/01/62/38/464016238.db2.gz SOMCTXPTXBNHRM-UHFFFAOYSA-N 1 2 336.476 2.141 20 30 EEEDLO C=C(CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)c1ccccc1 ZINC000288001326 464028272 /nfs/dbraw/zinc/02/82/72/464028272.db2.gz LHXSJTCCGOSPHS-SJLPKXTDSA-N 1 2 329.444 2.204 20 30 EEEDLO CCN(CC)C(=O)N1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000269676245 464054411 /nfs/dbraw/zinc/05/44/11/464054411.db2.gz SAFUJDZWEWHTOW-UHFFFAOYSA-N 1 2 330.432 2.146 20 30 EEEDLO COc1ccc(C[NH+]2CCN(Cc3cc(C)on3)CC2)cc1C#N ZINC000179185738 464076624 /nfs/dbraw/zinc/07/66/24/464076624.db2.gz YJCRDDJWOIAHRJ-UHFFFAOYSA-N 1 2 326.400 2.181 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000289884690 464098645 /nfs/dbraw/zinc/09/86/45/464098645.db2.gz SBCPGJWDVVLSMS-NRFANRHFSA-N 1 2 348.446 2.400 20 30 EEEDLO C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000172588727 464112415 /nfs/dbraw/zinc/11/24/15/464112415.db2.gz KWHOPALDQBCYTK-CYBMUJFWSA-N 1 2 341.440 2.120 20 30 EEEDLO C[C@@H]1CSCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000172588727 464112421 /nfs/dbraw/zinc/11/24/21/464112421.db2.gz KWHOPALDQBCYTK-CYBMUJFWSA-N 1 2 341.440 2.120 20 30 EEEDLO C#CC[C@H](NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000279947677 464168678 /nfs/dbraw/zinc/16/86/78/464168678.db2.gz HMYCTNOGFASIIC-AEFFLSMTSA-N 1 2 329.444 2.113 20 30 EEEDLO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cccc2[nH]nnc21)C(C)C ZINC000187933399 464176221 /nfs/dbraw/zinc/17/62/21/464176221.db2.gz XTFZLQKDDRHLCX-INIZCTEOSA-N 1 2 327.432 2.386 20 30 EEEDLO COCCCCCO[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000174134093 464366317 /nfs/dbraw/zinc/36/63/17/464366317.db2.gz INDYEBAERRCZNR-UHFFFAOYSA-N 1 2 331.420 2.338 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NCCC2=CCCCC2)C1=O ZINC000281195388 464366756 /nfs/dbraw/zinc/36/67/56/464366756.db2.gz CAVNWUZPYSYFEM-NVXWUHKLSA-N 1 2 333.476 2.100 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NCCC2=CCCCC2)C1=O ZINC000281195388 464366761 /nfs/dbraw/zinc/36/67/61/464366761.db2.gz CAVNWUZPYSYFEM-NVXWUHKLSA-N 1 2 333.476 2.100 20 30 EEEDLO CC(C)[C@H]1C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CCCO1 ZINC000292986627 464379110 /nfs/dbraw/zinc/37/91/10/464379110.db2.gz BUTUTAMQGFHLQP-LSDHHAIUSA-N 1 2 333.457 2.472 20 30 EEEDLO CC(C)[C@H]1C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CCCO1 ZINC000292986627 464379115 /nfs/dbraw/zinc/37/91/15/464379115.db2.gz BUTUTAMQGFHLQP-LSDHHAIUSA-N 1 2 333.457 2.472 20 30 EEEDLO CCc1ccc(N2CC[NH+](CC(=O)N(CC)CCC#N)CC2)cc1 ZINC000174316839 464392342 /nfs/dbraw/zinc/39/23/42/464392342.db2.gz OJEWRUIJRATDHU-UHFFFAOYSA-N 1 2 328.460 2.133 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(OCC)cc2)C1=O ZINC000281271585 464394578 /nfs/dbraw/zinc/39/45/78/464394578.db2.gz IAKIVFWOSUAFNY-RHSMWYFYSA-N 1 2 345.443 2.131 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(OCC)cc2)C1=O ZINC000281271585 464394582 /nfs/dbraw/zinc/39/45/82/464394582.db2.gz IAKIVFWOSUAFNY-RHSMWYFYSA-N 1 2 345.443 2.131 20 30 EEEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H](C2CCOCC2)C1 ZINC000329909295 465471615 /nfs/dbraw/zinc/47/16/15/465471615.db2.gz UYEJDLWQYAEWGE-HOCLYGCPSA-N 1 2 332.448 2.108 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OCC)c2)C1=O ZINC000281458027 464462383 /nfs/dbraw/zinc/46/23/83/464462383.db2.gz VBYCAWCZRHYFPZ-HNNXBMFYSA-N 1 2 333.388 2.212 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OCC)c2)C1=O ZINC000281458027 464462392 /nfs/dbraw/zinc/46/23/92/464462392.db2.gz VBYCAWCZRHYFPZ-HNNXBMFYSA-N 1 2 333.388 2.212 20 30 EEEDLO C[C@@H]1C[N@@H+](CCOCC(F)(F)C(F)F)CCN1CC(F)(F)F ZINC000189790249 464550496 /nfs/dbraw/zinc/55/04/96/464550496.db2.gz XMMMYJKUNSXIJK-SECBINFHSA-N 1 2 340.283 2.472 20 30 EEEDLO C[C@@H]1C[N@H+](CCOCC(F)(F)C(F)F)CCN1CC(F)(F)F ZINC000189790249 464550490 /nfs/dbraw/zinc/55/04/90/464550490.db2.gz XMMMYJKUNSXIJK-SECBINFHSA-N 1 2 340.283 2.472 20 30 EEEDLO C=CCN(CCc1ccco1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000272316076 464560924 /nfs/dbraw/zinc/56/09/24/464560924.db2.gz HDNXMAZAZQJGBJ-UHFFFAOYSA-N 1 2 335.448 2.131 20 30 EEEDLO C=CCN(CCc1ccco1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000272316076 464560929 /nfs/dbraw/zinc/56/09/29/464560929.db2.gz HDNXMAZAZQJGBJ-UHFFFAOYSA-N 1 2 335.448 2.131 20 30 EEEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000246967399 464637021 /nfs/dbraw/zinc/63/70/21/464637021.db2.gz GKRGXRHFSSFVAQ-POAQFYNOSA-N 1 2 341.455 2.476 20 30 EEEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000246967399 464637027 /nfs/dbraw/zinc/63/70/27/464637027.db2.gz GKRGXRHFSSFVAQ-POAQFYNOSA-N 1 2 341.455 2.476 20 30 EEEDLO Cc1nnc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)n1C ZINC000285650976 464644857 /nfs/dbraw/zinc/64/48/57/464644857.db2.gz ZWRSIXOUFCWFQT-UHFFFAOYSA-N 1 2 329.379 2.178 20 30 EEEDLO CCOc1ccccc1NC(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000266240099 464769637 /nfs/dbraw/zinc/76/96/37/464769637.db2.gz WVZAGIXYIIVHLA-ZDUSSCGKSA-N 1 2 337.420 2.374 20 30 EEEDLO C=CCOc1cccc(C[NH+]2CCN(CC(=O)N(CC)CC)CC2)c1 ZINC000191605006 464821545 /nfs/dbraw/zinc/82/15/45/464821545.db2.gz UXSYIURQORWEDM-UHFFFAOYSA-N 1 2 345.487 2.237 20 30 EEEDLO C=CCOc1cccc(CN2CC[NH+](CC(=O)N(CC)CC)CC2)c1 ZINC000191605006 464821554 /nfs/dbraw/zinc/82/15/54/464821554.db2.gz UXSYIURQORWEDM-UHFFFAOYSA-N 1 2 345.487 2.237 20 30 EEEDLO COc1cc(OC)c2ncc(C#N)c(N(C)Cc3[nH+]ccn3C)c2c1 ZINC000286154163 464822317 /nfs/dbraw/zinc/82/23/17/464822317.db2.gz OFZGQVNYVVGEBY-UHFFFAOYSA-N 1 2 337.383 2.494 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(C#N)cc2)CCO1 ZINC000276159253 464828424 /nfs/dbraw/zinc/82/84/24/464828424.db2.gz FWYATTWYFBTJHJ-RTQGNFRKSA-N 1 2 336.395 2.341 20 30 EEEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329949393 465484902 /nfs/dbraw/zinc/48/49/02/465484902.db2.gz ZXWSJULYPXUYFU-BNOWGMLFSA-N 1 2 346.456 2.288 20 30 EEEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329949393 465484908 /nfs/dbraw/zinc/48/49/08/465484908.db2.gz ZXWSJULYPXUYFU-BNOWGMLFSA-N 1 2 346.456 2.288 20 30 EEEDLO COCCCOC1CC[NH+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000177126795 464938050 /nfs/dbraw/zinc/93/80/50/464938050.db2.gz MMLKJRJMTPCCRT-SFHVURJKSA-N 1 2 346.427 2.290 20 30 EEEDLO COC(=O)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000192638356 464965737 /nfs/dbraw/zinc/96/57/37/464965737.db2.gz NCMFJAUPDNRNCD-NSHDSACASA-N 1 2 349.456 2.178 20 30 EEEDLO COC(=O)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000192638356 464965739 /nfs/dbraw/zinc/96/57/39/464965739.db2.gz NCMFJAUPDNRNCD-NSHDSACASA-N 1 2 349.456 2.178 20 30 EEEDLO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+][C@H]1CCOc2ccc(F)cc21 ZINC000329606095 465384060 /nfs/dbraw/zinc/38/40/60/465384060.db2.gz MISWOXGKZGLXIS-YPMHNXCESA-N 1 2 330.363 2.434 20 30 EEEDLO [O-]C(N[C@H]1CCOc2ccc(F)cc21)=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329606095 465384066 /nfs/dbraw/zinc/38/40/66/465384066.db2.gz MISWOXGKZGLXIS-YPMHNXCESA-N 1 2 330.363 2.434 20 30 EEEDLO C=CCN(CCOC)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000359210873 465386093 /nfs/dbraw/zinc/38/60/93/465386093.db2.gz DUWJGIREWNMYCZ-UHFFFAOYSA-N 1 2 342.443 2.470 20 30 EEEDLO O=C(CN1CC[NH+](C2CCC2)CC1)NC(=O)NCc1ccccc1 ZINC000329707375 465412235 /nfs/dbraw/zinc/41/22/35/465412235.db2.gz LOGJDLFMLWOHSV-UHFFFAOYSA-N 1 2 330.432 2.227 20 30 EEEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@@H]3C[C@H]3C3CCCCC3)CC2)cn1 ZINC000329808729 465439685 /nfs/dbraw/zinc/43/96/85/465439685.db2.gz PNCVFLDTTJVOJS-ZWKOTPCHSA-N 1 2 345.491 2.421 20 30 EEEDLO C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329926576 465476797 /nfs/dbraw/zinc/47/67/97/465476797.db2.gz WIDDTNPJAVIMGT-GPMSIDNRSA-N 1 2 332.444 2.454 20 30 EEEDLO C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329926576 465476801 /nfs/dbraw/zinc/47/68/01/465476801.db2.gz WIDDTNPJAVIMGT-GPMSIDNRSA-N 1 2 332.444 2.454 20 30 EEEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NCc1cccc2[nH+]ccn21 ZINC000359664730 465478765 /nfs/dbraw/zinc/47/87/65/465478765.db2.gz SWIQYNSRFRYRRU-UHFFFAOYSA-N 1 2 329.367 2.707 20 30 EEEDLO N#CC1(CS(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCCCC1 ZINC000330036489 465513565 /nfs/dbraw/zinc/51/35/65/465513565.db2.gz YGVKESYKICPRSE-OAHLLOKOSA-N 1 2 348.472 2.054 20 30 EEEDLO COc1cccc(NC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)c1 ZINC000330067889 465523142 /nfs/dbraw/zinc/52/31/42/465523142.db2.gz UXEZKGLNCQSICI-BBRMVZONSA-N 1 2 330.388 2.484 20 30 EEEDLO N#CC1(F)CC[NH+](CC(=O)NCCc2nc3ccccc3s2)CC1 ZINC000352458254 465530441 /nfs/dbraw/zinc/53/04/41/465530441.db2.gz IJFYVUMUBDYLCC-UHFFFAOYSA-N 1 2 346.431 2.283 20 30 EEEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@]2(CCCOC2)O1 ZINC000330097255 465532185 /nfs/dbraw/zinc/53/21/85/465532185.db2.gz ANZLUZLVBZKLEN-UGSOOPFHSA-N 1 2 348.399 2.273 20 30 EEEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@]2(CCCOC2)O1 ZINC000330097255 465532190 /nfs/dbraw/zinc/53/21/90/465532190.db2.gz ANZLUZLVBZKLEN-UGSOOPFHSA-N 1 2 348.399 2.273 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000352670660 465545469 /nfs/dbraw/zinc/54/54/69/465545469.db2.gz HTBWXJVZJRAHNE-GGPKGHCWSA-N 1 2 347.455 2.035 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000352670660 465545475 /nfs/dbraw/zinc/54/54/75/465545475.db2.gz HTBWXJVZJRAHNE-GGPKGHCWSA-N 1 2 347.455 2.035 20 30 EEEDLO C=CC[C@H](CC)NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000343770975 465551642 /nfs/dbraw/zinc/55/16/42/465551642.db2.gz NMTXRXDFBUCNCG-AWEZNQCLSA-N 1 2 338.473 2.106 20 30 EEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000352801105 465557395 /nfs/dbraw/zinc/55/73/95/465557395.db2.gz QVAPXEORQYHIJE-AWEZNQCLSA-N 1 2 331.416 2.101 20 30 EEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000352801105 465557398 /nfs/dbraw/zinc/55/73/98/465557398.db2.gz QVAPXEORQYHIJE-AWEZNQCLSA-N 1 2 331.416 2.101 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C)C[C@H]1C(=O)OC ZINC000360542482 465578027 /nfs/dbraw/zinc/57/80/27/465578027.db2.gz JIFLPPDJBHMWEE-JQHSSLGASA-N 1 2 347.455 2.428 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C)C[C@H]1C(=O)OC ZINC000360542482 465578035 /nfs/dbraw/zinc/57/80/35/465578035.db2.gz JIFLPPDJBHMWEE-JQHSSLGASA-N 1 2 347.455 2.428 20 30 EEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000330267793 465590638 /nfs/dbraw/zinc/59/06/38/465590638.db2.gz IHHNGANGRSJDRV-ZBFHGGJFSA-N 1 2 339.399 2.125 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@@H+](CCC2CCCCC2)CC(N)=O)c1 ZINC000337824180 465608382 /nfs/dbraw/zinc/60/83/82/465608382.db2.gz WJRJBDMRLLNHRP-UHFFFAOYSA-N 1 2 342.443 2.254 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@H+](CCC2CCCCC2)CC(N)=O)c1 ZINC000337824180 465608388 /nfs/dbraw/zinc/60/83/88/465608388.db2.gz WJRJBDMRLLNHRP-UHFFFAOYSA-N 1 2 342.443 2.254 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)Nc2cccc(F)c2F)CCN1C ZINC000330342636 465622930 /nfs/dbraw/zinc/62/29/30/465622930.db2.gz BDAGNFFDANOFQB-CYBMUJFWSA-N 1 2 335.358 2.233 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CC(=O)NCc1cccs1 ZINC000353152954 465677616 /nfs/dbraw/zinc/67/76/16/465677616.db2.gz XPYCURFAMIOVGW-AWEZNQCLSA-N 1 2 337.489 2.109 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000353152954 465677628 /nfs/dbraw/zinc/67/76/28/465677628.db2.gz XPYCURFAMIOVGW-AWEZNQCLSA-N 1 2 337.489 2.109 20 30 EEEDLO C=CCNc1ncc(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)s1 ZINC000371371891 465749053 /nfs/dbraw/zinc/74/90/53/465749053.db2.gz DRHLQKRYRFDWFT-AWEZNQCLSA-N 1 2 328.441 2.658 20 30 EEEDLO C=CCNc1ncc(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)s1 ZINC000371371891 465749058 /nfs/dbraw/zinc/74/90/58/465749058.db2.gz DRHLQKRYRFDWFT-AWEZNQCLSA-N 1 2 328.441 2.658 20 30 EEEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC2CCN(CC#N)CC2)c1 ZINC000362529450 465808216 /nfs/dbraw/zinc/80/82/16/465808216.db2.gz GOMKGZJCEJQGIM-UHFFFAOYSA-N 1 2 337.427 2.146 20 30 EEEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000345541332 465875562 /nfs/dbraw/zinc/87/55/62/465875562.db2.gz MAVMLJUAUNITNT-NWDGAFQWSA-N 1 2 341.864 2.315 20 30 EEEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000345541332 465875566 /nfs/dbraw/zinc/87/55/66/465875566.db2.gz MAVMLJUAUNITNT-NWDGAFQWSA-N 1 2 341.864 2.315 20 30 EEEDLO CC#CCCNC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000361282087 465883273 /nfs/dbraw/zinc/88/32/73/465883273.db2.gz OOLSDNANIGQTFM-SFHVURJKSA-N 1 2 329.444 2.081 20 30 EEEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000345725553 465896490 /nfs/dbraw/zinc/89/64/90/465896490.db2.gz JALSDAMXCRMLON-UHFFFAOYSA-N 1 2 336.417 2.354 20 30 EEEDLO CC#CCCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000361334913 465917882 /nfs/dbraw/zinc/91/78/82/465917882.db2.gz ITYUKYOGXCNNMX-GOSISDBHSA-N 1 2 329.444 2.081 20 30 EEEDLO CCN(CCCNC(=O)Nc1c(C)cc(C)[nH+]c1C)S(C)(=O)=O ZINC000331245304 465996509 /nfs/dbraw/zinc/99/65/09/465996509.db2.gz UAGDNRPFSCJNBK-UHFFFAOYSA-N 1 2 342.465 2.004 20 30 EEEDLO C=C(C)Cn1c(C2CCCC2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000555240332 468466410 /nfs/dbraw/zinc/46/64/10/468466410.db2.gz KZDNCLGHCVJTDV-UHFFFAOYSA-N 1 2 333.480 2.280 20 30 EEEDLO C[S@@](=O)c1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000349969070 466331394 /nfs/dbraw/zinc/33/13/94/466331394.db2.gz FWMOBFUZEOVVQM-XMMPIXPASA-N 1 2 340.452 2.013 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000354211879 466383108 /nfs/dbraw/zinc/38/31/08/466383108.db2.gz YSWFJZTVYOBOTN-FZKQIMNGSA-N 1 2 338.398 2.373 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000354211879 466383115 /nfs/dbraw/zinc/38/31/15/466383115.db2.gz YSWFJZTVYOBOTN-FZKQIMNGSA-N 1 2 338.398 2.373 20 30 EEEDLO COC1(CO)CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000347171947 466447262 /nfs/dbraw/zinc/44/72/62/466447262.db2.gz ZONFYFSXFMYQBN-UHFFFAOYSA-N 1 2 339.233 2.294 20 30 EEEDLO N#Cc1cc(Cl)ccc1NCCCCN1CC[NH+](CCO)CC1 ZINC000358187871 466525971 /nfs/dbraw/zinc/52/59/71/466525971.db2.gz FCQSEJRIQKCNPW-UHFFFAOYSA-N 1 2 336.867 2.014 20 30 EEEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCOc4cc(O)ccc4C3)C2=O)cc1 ZINC000375756018 466873245 /nfs/dbraw/zinc/87/32/45/466873245.db2.gz UYOQRPOPVFFAKN-SFHVURJKSA-N 1 2 349.390 2.264 20 30 EEEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCOc4cc(O)ccc4C3)C2=O)cc1 ZINC000375756018 466873252 /nfs/dbraw/zinc/87/32/52/466873252.db2.gz UYOQRPOPVFFAKN-SFHVURJKSA-N 1 2 349.390 2.264 20 30 EEEDLO CC[N@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)Cc1occc1C ZINC000412025988 466969323 /nfs/dbraw/zinc/96/93/23/466969323.db2.gz KFNCATXVCMQTPI-KRWDZBQOSA-N 1 2 346.475 2.102 20 30 EEEDLO CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)Cc1occc1C ZINC000412025988 466969326 /nfs/dbraw/zinc/96/93/26/466969326.db2.gz KFNCATXVCMQTPI-KRWDZBQOSA-N 1 2 346.475 2.102 20 30 EEEDLO COC(=O)[C@]1(C)CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000412060678 466988741 /nfs/dbraw/zinc/98/87/41/466988741.db2.gz GOGJNGTZDGSAIF-QGZVFWFLSA-N 1 2 349.456 2.450 20 30 EEEDLO COC(=O)[C@]1(C)CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000412060678 466988746 /nfs/dbraw/zinc/98/87/46/466988746.db2.gz GOGJNGTZDGSAIF-QGZVFWFLSA-N 1 2 349.456 2.450 20 30 EEEDLO C=CCn1cc(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)nn1 ZINC000424289692 467022492 /nfs/dbraw/zinc/02/24/92/467022492.db2.gz ABDFEBNLIRXVBO-CQSZACIVSA-N 1 2 325.416 2.442 20 30 EEEDLO C[C@H](O)[C@@H]1CCN(c2cc(NCCc3cccc(C#N)c3)[nH+]cn2)C1 ZINC000413263397 467200678 /nfs/dbraw/zinc/20/06/78/467200678.db2.gz HDFMYKCLEBSMRV-WMLDXEAASA-N 1 2 337.427 2.210 20 30 EEEDLO C[C@H](O)[C@@H]1CCN(c2cc(NCCc3cccc(C#N)c3)nc[nH+]2)C1 ZINC000413263397 467200681 /nfs/dbraw/zinc/20/06/81/467200681.db2.gz HDFMYKCLEBSMRV-WMLDXEAASA-N 1 2 337.427 2.210 20 30 EEEDLO C=CCC(C)(C)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000432102866 467215108 /nfs/dbraw/zinc/21/51/08/467215108.db2.gz NDBFRWOBWDRWES-UHFFFAOYSA-N 1 2 336.524 2.447 20 30 EEEDLO CC(C)(CC#N)CS(=O)(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000451036132 467232043 /nfs/dbraw/zinc/23/20/43/467232043.db2.gz JTTABUAZKJOLMO-UHFFFAOYSA-N 1 2 346.456 2.291 20 30 EEEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1C)CCC2 ZINC000378254083 467244305 /nfs/dbraw/zinc/24/43/05/467244305.db2.gz RZBCPNGNJPHIMU-OAHLLOKOSA-N 1 2 344.440 2.228 20 30 EEEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2cncc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000420620151 467435966 /nfs/dbraw/zinc/43/59/66/467435966.db2.gz ZQDDAOPXMMJIRC-DOTOQJQBSA-N 1 2 343.818 2.485 20 30 EEEDLO C[N@H+]1CCO[C@H]([C@H](Nc2cncc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000420620151 467435969 /nfs/dbraw/zinc/43/59/69/467435969.db2.gz ZQDDAOPXMMJIRC-DOTOQJQBSA-N 1 2 343.818 2.485 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000435024876 467442523 /nfs/dbraw/zinc/44/25/23/467442523.db2.gz UREXRKJPLSXUFQ-MSOLQXFVSA-N 1 2 344.411 2.042 20 30 EEEDLO C=CCOc1cccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000454574028 467601813 /nfs/dbraw/zinc/60/18/13/467601813.db2.gz HUBNGVLMNMWFIP-CALCHBBNSA-N 1 2 331.416 2.236 20 30 EEEDLO C=CCOc1cccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000454574028 467601814 /nfs/dbraw/zinc/60/18/14/467601814.db2.gz HUBNGVLMNMWFIP-CALCHBBNSA-N 1 2 331.416 2.236 20 30 EEEDLO C[C@@H]1CCCC[C@@H]1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000514617879 467944411 /nfs/dbraw/zinc/94/44/11/467944411.db2.gz ZNGXIHQLTLXVRU-NVXWUHKLSA-N 1 2 329.444 2.378 20 30 EEEDLO C=C(CC)CNC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000459071517 467945621 /nfs/dbraw/zinc/94/56/21/467945621.db2.gz HCSHZNYHXVIBTQ-UHFFFAOYSA-N 1 2 347.459 2.497 20 30 EEEDLO CC(C)Cn1ncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1C(F)F ZINC000516902420 468053856 /nfs/dbraw/zinc/05/38/56/468053856.db2.gz HIJCYGALPMQZJM-HNNXBMFYSA-N 1 2 327.379 2.050 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(NC(=O)OC(C)(C)C)n1 ZINC000496058889 468112765 /nfs/dbraw/zinc/11/27/65/468112765.db2.gz ZNCVBTDMGGDPEH-KRWDZBQOSA-N 1 2 347.419 2.002 20 30 EEEDLO CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000575292881 468139661 /nfs/dbraw/zinc/13/96/61/468139661.db2.gz BEUOATBQLBFSNX-INIZCTEOSA-N 1 2 344.459 2.007 20 30 EEEDLO CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000575292881 468139664 /nfs/dbraw/zinc/13/96/64/468139664.db2.gz BEUOATBQLBFSNX-INIZCTEOSA-N 1 2 344.459 2.007 20 30 EEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000566429496 468151628 /nfs/dbraw/zinc/15/16/28/468151628.db2.gz WEMCUAKFPUFGDA-UONOGXRCSA-N 1 2 328.416 2.422 20 30 EEEDLO Cc1noc2nc(C(C)C)cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c12 ZINC000576521240 468167638 /nfs/dbraw/zinc/16/76/38/468167638.db2.gz MXEXXTALZVZXRP-QGZVFWFLSA-N 1 2 329.404 2.228 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(Oc2ccccn2)c1 ZINC000578165345 468198341 /nfs/dbraw/zinc/19/83/41/468198341.db2.gz MQCZQQFKYMMNEK-HNNXBMFYSA-N 1 2 327.384 2.459 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(Oc2ccccn2)c1 ZINC000578165345 468198350 /nfs/dbraw/zinc/19/83/50/468198350.db2.gz MQCZQQFKYMMNEK-HNNXBMFYSA-N 1 2 327.384 2.459 20 30 EEEDLO Cc1cc(C)c(NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(C)[nH+]1 ZINC000578598321 468222205 /nfs/dbraw/zinc/22/22/05/468222205.db2.gz MXDVUWCFTJFHQS-UHFFFAOYSA-N 1 2 341.419 2.280 20 30 EEEDLO C#CCn1ccc(CN(CC)C(=O)c2ccc3[nH+]c(C)n(C)c3c2)n1 ZINC000490714755 468240164 /nfs/dbraw/zinc/24/01/64/468240164.db2.gz QVLBWIHKZLDQDF-UHFFFAOYSA-N 1 2 335.411 2.374 20 30 EEEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000551851580 468259592 /nfs/dbraw/zinc/25/95/92/468259592.db2.gz WUKATDBSTLHNDR-UHFFFAOYSA-N 1 2 346.475 2.374 20 30 EEEDLO Cc1sc2nc([C@H](C)[N@@H+]3CC[C@](O)(CC#N)C3)nc(N)c2c1C ZINC000592151483 468640389 /nfs/dbraw/zinc/64/03/89/468640389.db2.gz MJXOLMDOBCKLHI-MGPLVRAMSA-N 1 2 331.445 2.302 20 30 EEEDLO Cc1sc2nc([C@H](C)[N@H+]3CC[C@](O)(CC#N)C3)nc(N)c2c1C ZINC000592151483 468640394 /nfs/dbraw/zinc/64/03/94/468640394.db2.gz MJXOLMDOBCKLHI-MGPLVRAMSA-N 1 2 331.445 2.302 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000592152080 468641384 /nfs/dbraw/zinc/64/13/84/468641384.db2.gz TYLWPRKFOXRPNZ-SZNDQCEHSA-N 1 2 347.267 2.451 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000592152080 468641388 /nfs/dbraw/zinc/64/13/88/468641388.db2.gz TYLWPRKFOXRPNZ-SZNDQCEHSA-N 1 2 347.267 2.451 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000595393571 468837758 /nfs/dbraw/zinc/83/77/58/468837758.db2.gz SCVZOACGEQBQSO-QGZVFWFLSA-N 1 2 341.436 2.111 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000595393571 468837761 /nfs/dbraw/zinc/83/77/61/468837761.db2.gz SCVZOACGEQBQSO-QGZVFWFLSA-N 1 2 341.436 2.111 20 30 EEEDLO N#Cc1cc(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)ccc1Cl ZINC000598343821 468838150 /nfs/dbraw/zinc/83/81/50/468838150.db2.gz ZNOVFDMIVQTYCS-UHFFFAOYSA-N 1 2 347.846 2.396 20 30 EEEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(C)c2[nH+]cccc21 ZINC000601365353 468842504 /nfs/dbraw/zinc/84/25/04/468842504.db2.gz UBLNJZOCRYSESI-UHFFFAOYSA-N 1 2 346.387 2.046 20 30 EEEDLO COc1ccccc1-c1nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cs1 ZINC000593155509 468889263 /nfs/dbraw/zinc/88/92/63/468889263.db2.gz YENVRWURLVXCDF-KRWDZBQOSA-N 1 2 344.440 2.392 20 30 EEEDLO Cc1cc(C)n(-c2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc2)n1 ZINC000572188495 468897930 /nfs/dbraw/zinc/89/79/30/468897930.db2.gz GFNRPTMFOUOAPU-GOSISDBHSA-N 1 2 325.416 2.063 20 30 EEEDLO CCCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633037 468931770 /nfs/dbraw/zinc/93/17/70/468931770.db2.gz UJEXTPNZABVMBW-CQSZACIVSA-N 1 2 334.489 2.437 20 30 EEEDLO N#CCC1(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC1 ZINC000601605986 468934688 /nfs/dbraw/zinc/93/46/88/468934688.db2.gz JWKLEHCVNLJFBS-UHFFFAOYSA-N 1 2 345.472 2.128 20 30 EEEDLO COc1cccc(OC)c1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000602671339 469001101 /nfs/dbraw/zinc/00/11/01/469001101.db2.gz HNDOEPGHSGMOCD-UHFFFAOYSA-N 1 2 338.411 2.293 20 30 EEEDLO N#Cc1ccc([C@H]([NH2+][C@@H]2COc3c2cccc3Cl)C(N)=O)cc1 ZINC000610706380 469045706 /nfs/dbraw/zinc/04/57/06/469045706.db2.gz LKUCZVBCWJPKHI-CABCVRRESA-N 1 2 327.771 2.461 20 30 EEEDLO C[C@H](CC#N)[NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000602861741 469126178 /nfs/dbraw/zinc/12/61/78/469126178.db2.gz HWQFPRVBBAKYKI-OCCSQVGLSA-N 1 2 326.356 2.442 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)CCC1 ZINC000615226906 469186218 /nfs/dbraw/zinc/18/62/18/469186218.db2.gz AADDIGIMIUEAOV-CYBMUJFWSA-N 1 2 333.819 2.356 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)CCC1 ZINC000615226906 469186223 /nfs/dbraw/zinc/18/62/23/469186223.db2.gz AADDIGIMIUEAOV-CYBMUJFWSA-N 1 2 333.819 2.356 20 30 EEEDLO Cc1cc(N2CCOC(C)(C)C2)c(C#N)c(N2CCOC(C)(C)C2)[nH+]1 ZINC000589107088 469196236 /nfs/dbraw/zinc/19/62/36/469196236.db2.gz OXWWECZEWFBVTK-UHFFFAOYSA-N 1 2 344.459 2.492 20 30 EEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000563363730 469235929 /nfs/dbraw/zinc/23/59/29/469235929.db2.gz AIBHBKINCKWPBP-LBPRGKRZSA-N 1 2 332.795 2.141 20 30 EEEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)n2)c1 ZINC000573971241 469239235 /nfs/dbraw/zinc/23/92/35/469239235.db2.gz QJOSDTYBUFTUKL-OAHLLOKOSA-N 1 2 346.394 2.024 20 30 EEEDLO N#C[C@]1(F)CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000615538120 469259138 /nfs/dbraw/zinc/25/91/38/469259138.db2.gz MIZGTTPHCRJVQW-MRXNPFEDSA-N 1 2 331.326 2.159 20 30 EEEDLO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000564872591 469261176 /nfs/dbraw/zinc/26/11/76/469261176.db2.gz NXXZHADBATVDAU-INIZCTEOSA-N 1 2 332.429 2.214 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCc1ccc2c(c1)OCCCO2 ZINC000602331130 469284907 /nfs/dbraw/zinc/28/49/07/469284907.db2.gz ABZQOMZURQENBS-LJQANCHMSA-N 1 2 345.443 2.131 20 30 EEEDLO N#Cc1ccc(N(CC[NH+]2CCOCC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000596516676 469290542 /nfs/dbraw/zinc/29/05/42/469290542.db2.gz GYKVFXKEZZMEKM-UHFFFAOYSA-N 1 2 330.388 2.015 20 30 EEEDLO N#Cc1cccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)n1 ZINC000602435281 469314777 /nfs/dbraw/zinc/31/47/77/469314777.db2.gz KMAYOYBOGDSQHH-UHFFFAOYSA-N 1 2 336.424 2.280 20 30 EEEDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000599689844 469339183 /nfs/dbraw/zinc/33/91/83/469339183.db2.gz KOOGYZQOYMSFGP-AWEZNQCLSA-N 1 2 348.472 2.166 20 30 EEEDLO CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000599689844 469339186 /nfs/dbraw/zinc/33/91/86/469339186.db2.gz KOOGYZQOYMSFGP-AWEZNQCLSA-N 1 2 348.472 2.166 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)C1=O ZINC000625803060 469394208 /nfs/dbraw/zinc/39/42/08/469394208.db2.gz MVILJJRCWASJEH-OXJNMPFZSA-N 1 2 340.423 2.273 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)C1=O ZINC000625803060 469394215 /nfs/dbraw/zinc/39/42/15/469394215.db2.gz MVILJJRCWASJEH-OXJNMPFZSA-N 1 2 340.423 2.273 20 30 EEEDLO COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@@](C)(C#N)C2)cc1OC ZINC000612161031 469408249 /nfs/dbraw/zinc/40/82/49/469408249.db2.gz NSQPJULWPKEOEZ-LIRRHRJNSA-N 1 2 345.443 2.334 20 30 EEEDLO COc1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@@](C)(C#N)C2)cc1OC ZINC000612161031 469408254 /nfs/dbraw/zinc/40/82/54/469408254.db2.gz NSQPJULWPKEOEZ-LIRRHRJNSA-N 1 2 345.443 2.334 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000613127582 469634778 /nfs/dbraw/zinc/63/47/78/469634778.db2.gz GKFDHAPVJGABLS-DLBZAZTESA-N 1 2 334.508 2.189 20 30 EEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000619718934 469669894 /nfs/dbraw/zinc/66/98/94/469669894.db2.gz IUWZGUHYDKHRPH-HNNXBMFYSA-N 1 2 335.379 2.139 20 30 EEEDLO Cn1cc(C[NH+]2CCN(c3nc(C(C)(C)C)ccc3C#N)CC2)cn1 ZINC000613422834 469708886 /nfs/dbraw/zinc/70/88/86/469708886.db2.gz DKXYONFCRGLNAX-UHFFFAOYSA-N 1 2 338.459 2.306 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1OC ZINC000617741359 469788381 /nfs/dbraw/zinc/78/83/81/469788381.db2.gz LYWGXIVKRZECDT-LSDHHAIUSA-N 1 2 348.443 2.099 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1OC ZINC000617741359 469788384 /nfs/dbraw/zinc/78/83/84/469788384.db2.gz LYWGXIVKRZECDT-LSDHHAIUSA-N 1 2 348.443 2.099 20 30 EEEDLO CN1CC[NH+]([C@H](CNC(=O)NCCCCC#N)c2cccs2)CC1 ZINC000609147965 469896318 /nfs/dbraw/zinc/89/63/18/469896318.db2.gz TZMUSHZDQDYHND-OAHLLOKOSA-N 1 2 349.504 2.030 20 30 EEEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2ncccc2C(F)(F)F)CC1 ZINC000645520959 470328945 /nfs/dbraw/zinc/32/89/45/470328945.db2.gz HJZMNOJOPKNYIN-UHFFFAOYSA-N 1 2 349.378 2.029 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nc(-c3ccccc3C)no2)nn1 ZINC000640900839 471106729 /nfs/dbraw/zinc/10/67/29/471106729.db2.gz UMYSMGSRZXEGQV-AWEZNQCLSA-N 1 2 336.399 2.359 20 30 EEEDLO C=CC[C@@H]1CCCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000660311789 471938252 /nfs/dbraw/zinc/93/82/52/471938252.db2.gz IINYQOQSVLOFQV-MRXNPFEDSA-N 1 2 344.459 2.416 20 30 EEEDLO C=C[C@H](CO)[NH2+]Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000662168207 472017226 /nfs/dbraw/zinc/01/72/26/472017226.db2.gz XXULPNQQYMVHTQ-CYBMUJFWSA-N 1 2 331.441 2.269 20 30 EEEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccsc3C#N)CC2)C1 ZINC000595634001 485607671 /nfs/dbraw/zinc/60/76/71/485607671.db2.gz SFNDWWUYDWGWKI-GJZGRUSLSA-N 1 2 346.500 2.246 20 30 EEEDLO N#CC1(CNC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CCC1 ZINC000419397998 485685875 /nfs/dbraw/zinc/68/58/75/485685875.db2.gz GHDXEDCGNUFOOG-KRWDZBQOSA-N 1 2 342.443 2.053 20 30 EEEDLO COc1ccccc1C[NH+]1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000171110552 534080757 /nfs/dbraw/zinc/08/07/57/534080757.db2.gz PTBUKCIOXQSPSV-UHFFFAOYSA-N 1 2 349.434 2.454 20 30 EEEDLO C#CCCCC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000192100929 526683263 /nfs/dbraw/zinc/68/32/63/526683263.db2.gz OJVWPRXOQNNFLD-SFHVURJKSA-N 1 2 341.411 2.446 20 30 EEEDLO C=CCOc1ccc(C[N@@H+](CC)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000179597872 526863078 /nfs/dbraw/zinc/86/30/78/526863078.db2.gz PDQBWMLZHNYELB-HNNXBMFYSA-N 1 2 339.457 2.269 20 30 EEEDLO C=CCOc1ccc(C[N@H+](CC)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000179597872 526863086 /nfs/dbraw/zinc/86/30/86/526863086.db2.gz PDQBWMLZHNYELB-HNNXBMFYSA-N 1 2 339.457 2.269 20 30 EEEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[NH+](C)CC1 ZINC000191930512 527257514 /nfs/dbraw/zinc/25/75/14/527257514.db2.gz JUJGFNCQUVJIFC-UHFFFAOYSA-N 1 2 329.444 2.251 20 30 EEEDLO CCOC(=O)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)[C@H](C)CC ZINC000181628928 528038480 /nfs/dbraw/zinc/03/84/80/528038480.db2.gz YUYKZPYYPQGKOI-CXAGYDPISA-N 1 2 331.416 2.454 20 30 EEEDLO CC(C)c1[nH+]c2c(n1C)CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000106373600 528328564 /nfs/dbraw/zinc/32/85/64/528328564.db2.gz ZMBKIYUNCFUWBK-KUHUBIRLSA-N 1 2 345.491 2.345 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2OC)cn1 ZINC000728808376 576531608 /nfs/dbraw/zinc/53/16/08/576531608.db2.gz XTXFOUULIHYJOL-GOSISDBHSA-N 1 2 346.390 2.324 20 30 EEEDLO C=CC[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1ccncc1 ZINC000734668978 577317416 /nfs/dbraw/zinc/31/74/16/577317416.db2.gz KCJAFDFYBXUUAY-ZOBUZTSGSA-N 1 2 332.448 2.107 20 30 EEEDLO C#C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CCCO1 ZINC000773201316 577322602 /nfs/dbraw/zinc/32/26/02/577322602.db2.gz VLKJUNAVHVOHTA-DLBZAZTESA-N 1 2 342.443 2.052 20 30 EEEDLO C=CCCOCCCCC(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000775756530 577444914 /nfs/dbraw/zinc/44/49/14/577444914.db2.gz LGRFKOMZXJCJGA-HNNXBMFYSA-N 1 2 339.505 2.385 20 30 EEEDLO S=C(N[NH+]=Cc1ccc(N2CCCC2)nc1)Nc1ccccn1 ZINC000767806341 577545330 /nfs/dbraw/zinc/54/53/30/577545330.db2.gz WDPAMDZHKHLWFT-UHFFFAOYSA-N 1 2 326.429 2.397 20 30 EEEDLO CC(C)(C)OCC(N)=[NH+]O[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000768935137 577566058 /nfs/dbraw/zinc/56/60/58/577566058.db2.gz SITMUZKFHPAHGB-OAHLLOKOSA-N 1 2 344.415 2.367 20 30 EEEDLO COC(=O)[C@@H](COC(C)C)[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000770356819 577594555 /nfs/dbraw/zinc/59/45/55/577594555.db2.gz ZQAHZCLBKOAHDH-WMLDXEAASA-N 1 2 334.416 2.376 20 30 EEEDLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000770356819 577594556 /nfs/dbraw/zinc/59/45/56/577594556.db2.gz ZQAHZCLBKOAHDH-WMLDXEAASA-N 1 2 334.416 2.376 20 30 EEEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000759772996 577649881 /nfs/dbraw/zinc/64/98/81/577649881.db2.gz CQVFMIFQISNHOF-CQSZACIVSA-N 1 2 336.867 2.387 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000759772996 577649882 /nfs/dbraw/zinc/64/98/82/577649882.db2.gz CQVFMIFQISNHOF-CQSZACIVSA-N 1 2 336.867 2.387 20 30 EEEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000761907205 577691304 /nfs/dbraw/zinc/69/13/04/577691304.db2.gz NVLWOBRXEHWKDK-BOPFTXTBSA-N 1 2 343.471 2.453 20 30 EEEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000761907205 577691305 /nfs/dbraw/zinc/69/13/05/577691305.db2.gz NVLWOBRXEHWKDK-BOPFTXTBSA-N 1 2 343.471 2.453 20 30 EEEDLO C#CC[N@@H+](CC(=O)NCCOc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000763958168 577728689 /nfs/dbraw/zinc/72/86/89/577728689.db2.gz RMSVNSBAYJXRJC-UHFFFAOYSA-N 1 2 340.345 2.298 20 30 EEEDLO C#CC[N@H+](CC(=O)NCCOc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000763958168 577728690 /nfs/dbraw/zinc/72/86/90/577728690.db2.gz RMSVNSBAYJXRJC-UHFFFAOYSA-N 1 2 340.345 2.298 20 30 EEEDLO COCC#CCO[NH+]=C(N)c1cccc(Cn2nc(C)cc2C)c1 ZINC000764213481 577733012 /nfs/dbraw/zinc/73/30/12/577733012.db2.gz RVPQXJDRYKUWAH-UHFFFAOYSA-N 1 2 326.400 2.045 20 30 EEEDLO Cc1ccn2cc(CNS(=O)(=O)c3cccc(F)c3C#N)[nH+]c2c1 ZINC000751028179 577747216 /nfs/dbraw/zinc/74/72/16/577747216.db2.gz NQMWMFXRJHNZHZ-UHFFFAOYSA-N 1 2 344.371 2.132 20 30 EEEDLO C#CCOCCNC(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000753377895 577786221 /nfs/dbraw/zinc/78/62/21/577786221.db2.gz JJVMFMCHXAYHPF-OAHLLOKOSA-N 1 2 349.862 2.378 20 30 EEEDLO Cc1[nH+]cc(C=NNC(=S)NC[C@H]2CCCO2)n1-c1ccccc1 ZINC000755521017 577826132 /nfs/dbraw/zinc/82/61/32/577826132.db2.gz KTLTZGXDAOEANW-MRXNPFEDSA-N 1 2 343.456 2.158 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2cc(OCc3ccccc3)ccn2)CC1 ZINC000742671800 577875196 /nfs/dbraw/zinc/87/51/96/577875196.db2.gz ZDFINFDEHBJZEO-UHFFFAOYSA-N 1 2 335.407 2.052 20 30 EEEDLO Cc1cc(C(N)=[NH+]OCc2nc(CC(F)(F)F)no2)ccc1F ZINC000746048435 577921595 /nfs/dbraw/zinc/92/15/95/577921595.db2.gz FBKSRFKXRRAHNK-UHFFFAOYSA-N 1 2 332.257 2.459 20 30 EEEDLO C=CCn1c(C)nn(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c1=S ZINC000748269467 577958518 /nfs/dbraw/zinc/95/85/18/577958518.db2.gz YEGKSJFJGMDLOQ-HNNXBMFYSA-N 1 2 338.477 2.136 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)C2(c3ccc(C)c(OC)c3)CCC2)CC1 ZINC000749971011 577985068 /nfs/dbraw/zinc/98/50/68/577985068.db2.gz PMWSFQHBVKZDTJ-UHFFFAOYSA-N 1 2 326.440 2.203 20 30 EEEDLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000741148203 578113754 /nfs/dbraw/zinc/11/37/54/578113754.db2.gz YRHQOOUARGREAN-AWEZNQCLSA-N 1 2 335.791 2.178 20 30 EEEDLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000741148203 578113755 /nfs/dbraw/zinc/11/37/55/578113755.db2.gz YRHQOOUARGREAN-AWEZNQCLSA-N 1 2 335.791 2.178 20 30 EEEDLO Cc1nc(C[NH+]2CC([C@@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)sc1C ZINC000969513421 675084879 /nfs/dbraw/zinc/08/48/79/675084879.db2.gz CWDGZHFMRDTQGU-LLVKDONJSA-N 1 2 343.456 2.210 20 30 EEEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000969525500 675092092 /nfs/dbraw/zinc/09/20/92/675092092.db2.gz CMIMETUFYXIPNN-NSHDSACASA-N 1 2 344.365 2.415 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]([NH2+]Cc3noc(C(C)(C)C)n3)C2)C1 ZINC001020562764 675138111 /nfs/dbraw/zinc/13/81/11/675138111.db2.gz OGRAXQIHWHKECL-JOCQHMNTSA-N 1 2 332.448 2.460 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3cccnc3n2)C1 ZINC000969715728 675172463 /nfs/dbraw/zinc/17/24/63/675172463.db2.gz DQNKWERVBFEINI-GFCCVEGCSA-N 1 2 330.819 2.432 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3c(c2)nnn3CC)C1 ZINC000970864610 676204186 /nfs/dbraw/zinc/20/41/86/676204186.db2.gz BCWKCRMITDYSRT-GFCCVEGCSA-N 1 2 347.850 2.254 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cn(CC(F)F)nc2C)C1 ZINC000969912256 675301977 /nfs/dbraw/zinc/30/19/77/675301977.db2.gz OOHVJJBIFXNKIZ-SNVBAGLBSA-N 1 2 346.809 2.259 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC001020801385 675501065 /nfs/dbraw/zinc/50/10/65/675501065.db2.gz AKYQYDDXJVGKQD-WKILWMFISA-N 1 2 345.406 2.485 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccc(F)cn3)C2)cc1 ZINC000970254251 675749234 /nfs/dbraw/zinc/74/92/34/675749234.db2.gz ZTHGEAYFHSQZDT-AWEZNQCLSA-N 1 2 337.398 2.452 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccn3cc(C)nc3c2)C1 ZINC000970422363 675873828 /nfs/dbraw/zinc/87/38/28/675873828.db2.gz AXGMFNWYLJPGQN-ZDUSSCGKSA-N 1 2 332.835 2.445 20 30 EEEDLO CCc1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3C#N)C2)n[nH]1 ZINC000971117036 676386919 /nfs/dbraw/zinc/38/69/19/676386919.db2.gz NERMGEHTDPPSBG-QGZVFWFLSA-N 1 2 337.427 2.190 20 30 EEEDLO CCc1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3C#N)C2)n[nH]1 ZINC000971117036 676386920 /nfs/dbraw/zinc/38/69/20/676386920.db2.gz NERMGEHTDPPSBG-QGZVFWFLSA-N 1 2 337.427 2.190 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)c2cocn2)C1 ZINC000971180108 676430394 /nfs/dbraw/zinc/43/03/94/676430394.db2.gz FIGDDLCMOKBGOY-OAHLLOKOSA-N 1 2 328.347 2.032 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)c2cocn2)C1 ZINC000971180108 676430395 /nfs/dbraw/zinc/43/03/95/676430395.db2.gz FIGDDLCMOKBGOY-OAHLLOKOSA-N 1 2 328.347 2.032 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cncc(C)c2)C1 ZINC000971263926 676463664 /nfs/dbraw/zinc/46/36/64/676463664.db2.gz QQHVMJRQRLKYHR-CQSZACIVSA-N 1 2 338.249 2.445 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2cncc(C)c2)C1 ZINC000971263926 676463665 /nfs/dbraw/zinc/46/36/65/676463665.db2.gz QQHVMJRQRLKYHR-CQSZACIVSA-N 1 2 338.249 2.445 20 30 EEEDLO CC(C)c1ocnc1C[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971287450 676471368 /nfs/dbraw/zinc/47/13/68/676471368.db2.gz DMBWUEBGIIWCEB-CQSZACIVSA-N 1 2 341.415 2.344 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971287450 676471371 /nfs/dbraw/zinc/47/13/71/676471371.db2.gz DMBWUEBGIIWCEB-CQSZACIVSA-N 1 2 341.415 2.344 20 30 EEEDLO CO[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1)C1CC1 ZINC000971441390 676558220 /nfs/dbraw/zinc/55/82/20/676558220.db2.gz CAWPRGKPFZLXOK-MSOLQXFVSA-N 1 2 345.418 2.155 20 30 EEEDLO CO[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1)C1CC1 ZINC000971441390 676558221 /nfs/dbraw/zinc/55/82/21/676558221.db2.gz CAWPRGKPFZLXOK-MSOLQXFVSA-N 1 2 345.418 2.155 20 30 EEEDLO Cn1nccc1[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000933530452 676702789 /nfs/dbraw/zinc/70/27/89/676702789.db2.gz CRWZEOAVEQHOFL-SFHVURJKSA-N 1 2 326.400 2.134 20 30 EEEDLO Cn1nccc1[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000933530452 676702790 /nfs/dbraw/zinc/70/27/90/676702790.db2.gz CRWZEOAVEQHOFL-SFHVURJKSA-N 1 2 326.400 2.134 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CC[C@@]3(C2)C[N@H+](CC=C)CCO3)cc1 ZINC000972437798 678741631 /nfs/dbraw/zinc/74/16/31/678741631.db2.gz KWHRWZKQHJYFLI-FQEVSTJZSA-N 1 2 342.439 2.354 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CC=C)CCO3)cc1 ZINC000972437798 678741633 /nfs/dbraw/zinc/74/16/33/678741633.db2.gz KWHRWZKQHJYFLI-FQEVSTJZSA-N 1 2 342.439 2.354 20 30 EEEDLO Cc1c[nH]c(C(=O)N2CC[C@H]([N@H+](C)Cc3cc(F)ccc3C#N)C2)n1 ZINC000972515082 679133090 /nfs/dbraw/zinc/13/30/90/679133090.db2.gz VSXCMSSIOAUYGQ-INIZCTEOSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1c[nH]c(C(=O)N2CC[C@H]([N@@H+](C)Cc3cc(F)ccc3C#N)C2)n1 ZINC000972515082 679133091 /nfs/dbraw/zinc/13/30/91/679133091.db2.gz VSXCMSSIOAUYGQ-INIZCTEOSA-N 1 2 341.390 2.075 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H](CNC(=O)c2ccns2)C1 ZINC001023398812 679288172 /nfs/dbraw/zinc/28/81/72/679288172.db2.gz CDVFNAIPEVOHFS-LLVKDONJSA-N 1 2 344.278 2.494 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H](CNC(=O)c2ccns2)C1 ZINC001023398812 679288174 /nfs/dbraw/zinc/28/81/74/679288174.db2.gz CDVFNAIPEVOHFS-LLVKDONJSA-N 1 2 344.278 2.494 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C2)C1 ZINC000972599006 679401372 /nfs/dbraw/zinc/40/13/72/679401372.db2.gz LVDLTVGBRAOFMY-FOIQADDNSA-N 1 2 342.439 2.113 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C2)C1 ZINC000972599006 679401374 /nfs/dbraw/zinc/40/13/74/679401374.db2.gz LVDLTVGBRAOFMY-FOIQADDNSA-N 1 2 342.439 2.113 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CCC=C4)C2)C1 ZINC000972640512 679480164 /nfs/dbraw/zinc/48/01/64/679480164.db2.gz KKHLBDDIJLYTKE-NRFANRHFSA-N 1 2 336.435 2.196 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CCC=C4)C2)C1 ZINC000972640512 679480166 /nfs/dbraw/zinc/48/01/66/679480166.db2.gz KKHLBDDIJLYTKE-NRFANRHFSA-N 1 2 336.435 2.196 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C)cc3C)C2)C1 ZINC000972663016 679532279 /nfs/dbraw/zinc/53/22/79/679532279.db2.gz XSMVDVMLNQFBRM-HXUWFJFHSA-N 1 2 326.440 2.244 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C)cc3C)C2)C1 ZINC000972663016 679532281 /nfs/dbraw/zinc/53/22/81/679532281.db2.gz XSMVDVMLNQFBRM-HXUWFJFHSA-N 1 2 326.440 2.244 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)c(F)c(C)c3)C2)C1 ZINC000972675943 679585663 /nfs/dbraw/zinc/58/56/63/679585663.db2.gz GFUMMGVLUGYVHG-HXUWFJFHSA-N 1 2 344.430 2.383 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)c(F)c(C)c3)C2)C1 ZINC000972675943 679585666 /nfs/dbraw/zinc/58/56/66/679585666.db2.gz GFUMMGVLUGYVHG-HXUWFJFHSA-N 1 2 344.430 2.383 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)[C@@H]1CCCO1 ZINC000972783507 679776132 /nfs/dbraw/zinc/77/61/32/679776132.db2.gz QOQSYOUGLULFEC-IRXDYDNUSA-N 1 2 345.418 2.203 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)[C@@H]1CCCO1 ZINC000972783507 679776134 /nfs/dbraw/zinc/77/61/34/679776134.db2.gz QOQSYOUGLULFEC-IRXDYDNUSA-N 1 2 345.418 2.203 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3C#N)CC2(C)C)on1 ZINC000972795576 679784947 /nfs/dbraw/zinc/78/49/47/679784947.db2.gz FXZDATVYORWCGF-KRWDZBQOSA-N 1 2 338.411 2.495 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3C#N)CC2(C)C)on1 ZINC000972795576 679784948 /nfs/dbraw/zinc/78/49/48/679784948.db2.gz FXZDATVYORWCGF-KRWDZBQOSA-N 1 2 338.411 2.495 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)[C@@H]2CCCO2)c1 ZINC001024314162 679871405 /nfs/dbraw/zinc/87/14/05/679871405.db2.gz GTDZWWRSVKOETP-AEFFLSMTSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2CNC(=O)[C@@H]2CCCO2)c1 ZINC001024314162 679871406 /nfs/dbraw/zinc/87/14/06/679871406.db2.gz GTDZWWRSVKOETP-AEFFLSMTSA-N 1 2 345.418 2.347 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1nocc1C ZINC001024702446 681358143 /nfs/dbraw/zinc/35/81/43/681358143.db2.gz UXJWBANQPYYYGC-RYRKJORJSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1nocc1C ZINC001024702446 681358146 /nfs/dbraw/zinc/35/81/46/681358146.db2.gz UXJWBANQPYYYGC-RYRKJORJSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2nnn(C)c2c1 ZINC001024780327 681435327 /nfs/dbraw/zinc/43/53/27/681435327.db2.gz RQAUXXSRCZNFCF-CQSZACIVSA-N 1 2 347.850 2.305 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2nnn(C)c2c1 ZINC001024780327 681435329 /nfs/dbraw/zinc/43/53/29/681435329.db2.gz RQAUXXSRCZNFCF-CQSZACIVSA-N 1 2 347.850 2.305 20 30 EEEDLO CC(C)c1noc(C[NH2+]C[C@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC001024960528 681643057 /nfs/dbraw/zinc/64/30/57/681643057.db2.gz VXRSVBQHUGEYNM-OAHLLOKOSA-N 1 2 330.432 2.077 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001025037981 681799238 /nfs/dbraw/zinc/79/92/38/681799238.db2.gz PUEXROLVWUFKKT-AWEZNQCLSA-N 1 2 349.479 2.209 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnc(Cl)n2C)C(C)(C)C1 ZINC000974816949 685573540 /nfs/dbraw/zinc/57/35/40/685573540.db2.gz CRWDRJUBBOLSTG-NSHDSACASA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnc(Cl)n2C)C(C)(C)C1 ZINC000974816949 685573541 /nfs/dbraw/zinc/57/35/41/685573541.db2.gz CRWDRJUBBOLSTG-NSHDSACASA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001029008044 682662103 /nfs/dbraw/zinc/66/21/03/682662103.db2.gz RFNYVLXLENZAPT-ZDUSSCGKSA-N 1 2 345.834 2.276 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001029008044 682662108 /nfs/dbraw/zinc/66/21/08/682662108.db2.gz RFNYVLXLENZAPT-ZDUSSCGKSA-N 1 2 345.834 2.276 20 30 EEEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)n1 ZINC000894467832 682914387 /nfs/dbraw/zinc/91/43/87/682914387.db2.gz FKNFBQJBKSRFGP-UHFFFAOYSA-N 1 2 330.338 2.259 20 30 EEEDLO CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)c1csnn1 ZINC000974868242 685643445 /nfs/dbraw/zinc/64/34/45/685643445.db2.gz IUWLOORHXIXTGT-INIZCTEOSA-N 1 2 340.452 2.030 20 30 EEEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)c1csnn1 ZINC000974868242 685643450 /nfs/dbraw/zinc/64/34/50/685643450.db2.gz IUWLOORHXIXTGT-INIZCTEOSA-N 1 2 340.452 2.030 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2c(C)nn(C)c2C)C(C)(C)C1 ZINC000974867603 685643537 /nfs/dbraw/zinc/64/35/37/685643537.db2.gz ADIPEFDWTBFORQ-OAHLLOKOSA-N 1 2 338.883 2.159 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2c(C)nn(C)c2C)C(C)(C)C1 ZINC000974867603 685643540 /nfs/dbraw/zinc/64/35/40/685643540.db2.gz ADIPEFDWTBFORQ-OAHLLOKOSA-N 1 2 338.883 2.159 20 30 EEEDLO Cc1ncc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)s1 ZINC001038102525 683654051 /nfs/dbraw/zinc/65/40/51/683654051.db2.gz KXTDDMPIZQUHPU-HNNXBMFYSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1ncc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)s1 ZINC001038102525 683654052 /nfs/dbraw/zinc/65/40/52/683654052.db2.gz KXTDDMPIZQUHPU-HNNXBMFYSA-N 1 2 326.425 2.328 20 30 EEEDLO CO[C@@H](C)C(=[NH2+])NOC=C(O)c1cc(C)n(Cc2ccco2)c1C ZINC000177759766 683748132 /nfs/dbraw/zinc/74/81/32/683748132.db2.gz YDXOBUCPLRTMMV-ZDUSSCGKSA-N 1 2 333.388 2.253 20 30 EEEDLO 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684711115 /nfs/dbraw/zinc/71/11/15/684711115.db2.gz XMHQBLQFWKPRTR-HDICACEKSA-N 1 2 328.460 2.342 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cnn(C)c2)CC1 ZINC001029455252 684711120 /nfs/dbraw/zinc/71/11/20/684711120.db2.gz XMHQBLQFWKPRTR-HDICACEKSA-N 1 2 328.460 2.342 20 30 EEEDLO C=CCOc1ccc(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCF)cc1 ZINC001029601682 686487302 /nfs/dbraw/zinc/48/73/02/686487302.db2.gz MQMQZHLQGHPHQO-CALCHBBNSA-N 1 2 332.419 2.439 20 30 EEEDLO C=CCOc1ccc(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCF)cc1 ZINC001029601682 686487298 /nfs/dbraw/zinc/48/72/98/686487298.db2.gz MQMQZHLQGHPHQO-CALCHBBNSA-N 1 2 332.419 2.439 20 30 EEEDLO CC(C)c1nsc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001029676692 686761603 /nfs/dbraw/zinc/76/16/03/686761603.db2.gz DNLTYLWECVKQCF-QWHCGFSZSA-N 1 2 335.477 2.101 20 30 EEEDLO CC(C)c1nsc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001029676692 686761609 /nfs/dbraw/zinc/76/16/09/686761609.db2.gz DNLTYLWECVKQCF-QWHCGFSZSA-N 1 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1189122141 /nfs/dbraw/zinc/12/21/41/1189122141.db2.gz UBMNWBCRLKJMNM-CVEARBPZSA-N 1 2 346.475 2.183 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CSCCC)CC2)C1 ZINC001105691856 1189407645 /nfs/dbraw/zinc/40/76/45/1189407645.db2.gz ZPDUBILNPMEQLS-UHFFFAOYSA-N 1 2 326.506 2.398 20 30 EEEDLO N#CCCCN1C[C@@]2(F)C[N@@H+](CCc3ccccc3)C[C@@]2(F)C1=O ZINC001272447783 1190825301 /nfs/dbraw/zinc/82/53/01/1190825301.db2.gz ZGFRZVBRFIUBOW-ZWKOTPCHSA-N 1 2 333.382 2.107 20 30 EEEDLO N#CCCCN1C[C@@]2(F)C[N@H+](CCc3ccccc3)C[C@@]2(F)C1=O ZINC001272447783 1190825303 /nfs/dbraw/zinc/82/53/03/1190825303.db2.gz ZGFRZVBRFIUBOW-ZWKOTPCHSA-N 1 2 333.382 2.107 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCC[C@]23CCN(C2COC2)C3=O)c1Cl ZINC001272685251 1191426114 /nfs/dbraw/zinc/42/61/14/1191426114.db2.gz QDZKIEXHDYDFCY-GOSISDBHSA-N 1 2 345.830 2.177 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCC[C@]23CCN(C2COC2)C3=O)c1Cl ZINC001272685251 1191426116 /nfs/dbraw/zinc/42/61/16/1191426116.db2.gz QDZKIEXHDYDFCY-GOSISDBHSA-N 1 2 345.830 2.177 20 30 EEEDLO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC001014674594 1224161383 /nfs/dbraw/zinc/16/13/83/1224161383.db2.gz RKDAPICZCLHJLH-AWEZNQCLSA-N 1 2 325.416 2.242 20 30 EEEDLO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC001014674594 1224161386 /nfs/dbraw/zinc/16/13/86/1224161386.db2.gz RKDAPICZCLHJLH-AWEZNQCLSA-N 1 2 325.416 2.242 20 30 EEEDLO C=CCOc1ccc(C[NH+]2CC3(C2)COCC(=O)N3[C@@H](C)CC)cc1 ZINC001272988529 1194297457 /nfs/dbraw/zinc/29/74/57/1194297457.db2.gz UCZREFJNCATLSL-INIZCTEOSA-N 1 2 344.455 2.463 20 30 EEEDLO CCOCCN1CC[C@]2(CCC[N@@H+]2Cc2ccccc2C#N)C1=O ZINC001272989820 1194299089 /nfs/dbraw/zinc/29/90/89/1194299089.db2.gz FQBSFRNYURBCRR-LJQANCHMSA-N 1 2 327.428 2.162 20 30 EEEDLO CCOCCN1CC[C@]2(CCC[N@H+]2Cc2ccccc2C#N)C1=O ZINC001272989820 1194299091 /nfs/dbraw/zinc/29/90/91/1194299091.db2.gz FQBSFRNYURBCRR-LJQANCHMSA-N 1 2 327.428 2.162 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001033342492 1194462566 /nfs/dbraw/zinc/46/25/66/1194462566.db2.gz HXMBMMQIMAPLFC-ZOBORPQBSA-N 1 2 327.266 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001033342492 1194462568 /nfs/dbraw/zinc/46/25/68/1194462568.db2.gz HXMBMMQIMAPLFC-ZOBORPQBSA-N 1 2 327.266 2.474 20 30 EEEDLO Cc1nc(C[NH+]2CCC(N(C)C(=O)c3ccc(C#N)[nH]3)CC2)oc1C ZINC001005261995 1195008019 /nfs/dbraw/zinc/00/80/19/1195008019.db2.gz YYJNUPBXQADHPQ-UHFFFAOYSA-N 1 2 341.415 2.228 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033795109 1195284512 /nfs/dbraw/zinc/28/45/12/1195284512.db2.gz KKWAGCDJCSNQEJ-MRXNPFEDSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033795109 1195284515 /nfs/dbraw/zinc/28/45/15/1195284515.db2.gz KKWAGCDJCSNQEJ-MRXNPFEDSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1csnn1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033912544 1195470941 /nfs/dbraw/zinc/47/09/41/1195470941.db2.gz JKXNVAOIHNZRNR-OAHLLOKOSA-N 1 2 341.440 2.146 20 30 EEEDLO CCN(C(=O)c1csnn1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033912544 1195470944 /nfs/dbraw/zinc/47/09/44/1195470944.db2.gz JKXNVAOIHNZRNR-OAHLLOKOSA-N 1 2 341.440 2.146 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001034139920 1195814137 /nfs/dbraw/zinc/81/41/37/1195814137.db2.gz UXIFCDUZJCDKIO-KGLIPLIRSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnn3c2OCCC3)C1 ZINC001034287784 1196050408 /nfs/dbraw/zinc/05/04/08/1196050408.db2.gz ACQXJNKSHTXTRS-ZDUSSCGKSA-N 1 2 338.839 2.002 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnn3c2OCCC3)C1 ZINC001034287784 1196050411 /nfs/dbraw/zinc/05/04/11/1196050411.db2.gz ACQXJNKSHTXTRS-ZDUSSCGKSA-N 1 2 338.839 2.002 20 30 EEEDLO C[C@]1(CNC(=O)CCCF)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108125155 1196109109 /nfs/dbraw/zinc/10/91/09/1196109109.db2.gz ZBLYIBKAHILWAO-SFHVURJKSA-N 1 2 333.407 2.015 20 30 EEEDLO C[C@]1(CNC(=O)CCCF)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108125155 1196109110 /nfs/dbraw/zinc/10/91/10/1196109110.db2.gz ZBLYIBKAHILWAO-SFHVURJKSA-N 1 2 333.407 2.015 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CCCCC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129009864 1196732754 /nfs/dbraw/zinc/73/27/54/1196732754.db2.gz SZVVBHNAEQBXPP-SJORKVTESA-N 1 2 345.491 2.249 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CCCCC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129009864 1196732759 /nfs/dbraw/zinc/73/27/59/1196732759.db2.gz SZVVBHNAEQBXPP-SJORKVTESA-N 1 2 345.491 2.249 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CCC)c2ccccn2)C1 ZINC001108162831 1196757001 /nfs/dbraw/zinc/75/70/01/1196757001.db2.gz YZGXMDLJEQIZRC-LPHOPBHVSA-N 1 2 331.460 2.358 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CCC)c2ccccn2)C1 ZINC001108162831 1196757004 /nfs/dbraw/zinc/75/70/04/1196757004.db2.gz YZGXMDLJEQIZRC-LPHOPBHVSA-N 1 2 331.460 2.358 20 30 EEEDLO C=C(C)CN1CC2(C[NH+](Cc3cccc4ncccc34)C2)OCC1=O ZINC001273222659 1197566026 /nfs/dbraw/zinc/56/60/26/1197566026.db2.gz XCKDJKDNUKITEX-UHFFFAOYSA-N 1 2 337.423 2.224 20 30 EEEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc(OC)nc2OC)C1=O ZINC001273249951 1197730842 /nfs/dbraw/zinc/73/08/42/1197730842.db2.gz BVMHXPCIJHZBIH-LJQANCHMSA-N 1 2 345.443 2.242 20 30 EEEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(OC)nc2OC)C1=O ZINC001273249951 1197730847 /nfs/dbraw/zinc/73/08/47/1197730847.db2.gz BVMHXPCIJHZBIH-LJQANCHMSA-N 1 2 345.443 2.242 20 30 EEEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(F)c(F)c1F)CC2 ZINC001273287157 1197960133 /nfs/dbraw/zinc/96/01/33/1197960133.db2.gz SFKHFUIJDCHRFI-ZDUSSCGKSA-N 1 2 336.357 2.455 20 30 EEEDLO C=CCc1cccc(C[N@@H+]2C[C@]3(F)CN(CC=C)C(=O)[C@]3(F)C2)c1O ZINC001273360236 1198313976 /nfs/dbraw/zinc/31/39/76/1198313976.db2.gz JMJMBDAXIDIULE-RBUKOAKNSA-N 1 2 348.393 2.381 20 30 EEEDLO C=CCc1cccc(C[N@H+]2C[C@]3(F)CN(CC=C)C(=O)[C@]3(F)C2)c1O ZINC001273360236 1198313980 /nfs/dbraw/zinc/31/39/80/1198313980.db2.gz JMJMBDAXIDIULE-RBUKOAKNSA-N 1 2 348.393 2.381 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cc2cccn2cn1 ZINC001014891260 1224501818 /nfs/dbraw/zinc/50/18/18/1224501818.db2.gz SENNSXRVNORJKJ-GOSISDBHSA-N 1 2 344.418 2.190 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cc2cccn2cn1 ZINC001014891260 1224501825 /nfs/dbraw/zinc/50/18/25/1224501825.db2.gz SENNSXRVNORJKJ-GOSISDBHSA-N 1 2 344.418 2.190 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cc2cccn2cn1 ZINC001014891262 1224502484 /nfs/dbraw/zinc/50/24/84/1224502484.db2.gz SENNSXRVNORJKJ-SFHVURJKSA-N 1 2 344.418 2.190 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cc2cccn2cn1 ZINC001014891262 1224502494 /nfs/dbraw/zinc/50/24/94/1224502494.db2.gz SENNSXRVNORJKJ-SFHVURJKSA-N 1 2 344.418 2.190 20 30 EEEDLO C=CC[C@@H](NC(=O)NCC[N@H+]1CCOC[C@H]1CC)c1ccncc1 ZINC000875299826 1199203640 /nfs/dbraw/zinc/20/36/40/1199203640.db2.gz QQGJHYOGZZJEMB-IAGOWNOFSA-N 1 2 332.448 2.109 20 30 EEEDLO C=CC[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1CC)c1ccncc1 ZINC000875299826 1199203646 /nfs/dbraw/zinc/20/36/46/1199203646.db2.gz QQGJHYOGZZJEMB-IAGOWNOFSA-N 1 2 332.448 2.109 20 30 EEEDLO C=CC[C@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1CC)c1ccncc1 ZINC000875299827 1199203676 /nfs/dbraw/zinc/20/36/76/1199203676.db2.gz QQGJHYOGZZJEMB-IRXDYDNUSA-N 1 2 332.448 2.109 20 30 EEEDLO C=CC[C@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC)c1ccncc1 ZINC000875299827 1199203680 /nfs/dbraw/zinc/20/36/80/1199203680.db2.gz QQGJHYOGZZJEMB-IRXDYDNUSA-N 1 2 332.448 2.109 20 30 EEEDLO COc1cc(C[N@@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)on1 ZINC001132037769 1199221519 /nfs/dbraw/zinc/22/15/19/1199221519.db2.gz IFMWLMQTZBKOIX-UONOGXRCSA-N 1 2 333.432 2.202 20 30 EEEDLO COc1cc(C[N@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)on1 ZINC001132037769 1199221523 /nfs/dbraw/zinc/22/15/23/1199221523.db2.gz IFMWLMQTZBKOIX-UONOGXRCSA-N 1 2 333.432 2.202 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(COC)CCOCC2)CC[C@H]1C ZINC001132101027 1199293150 /nfs/dbraw/zinc/29/31/50/1199293150.db2.gz GCAWYFFGLKZXTJ-CABCVRRESA-N 1 2 344.883 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(COC)CCOCC2)CC[C@H]1C ZINC001132101027 1199293151 /nfs/dbraw/zinc/29/31/51/1199293151.db2.gz GCAWYFFGLKZXTJ-CABCVRRESA-N 1 2 344.883 2.151 20 30 EEEDLO C#CC[C@@H](CCOC)NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000875919143 1199433142 /nfs/dbraw/zinc/43/31/42/1199433142.db2.gz BVXSCEMNPJLXKQ-HNNXBMFYSA-N 1 2 333.432 2.277 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2nc(C)no2)CC[C@H]1C ZINC001132209995 1199433205 /nfs/dbraw/zinc/43/32/05/1199433205.db2.gz AAIRZPDUYIGZBJ-DGCLKSJQSA-N 1 2 326.828 2.032 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2nc(C)no2)CC[C@H]1C ZINC001132209995 1199433209 /nfs/dbraw/zinc/43/32/09/1199433209.db2.gz AAIRZPDUYIGZBJ-DGCLKSJQSA-N 1 2 326.828 2.032 20 30 EEEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC001132226771 1199467278 /nfs/dbraw/zinc/46/72/78/1199467278.db2.gz NYFSPLLKTHYYDU-CYBMUJFWSA-N 1 2 340.427 2.429 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132257040 1199496643 /nfs/dbraw/zinc/49/66/43/1199496643.db2.gz SPYCFBVXKZESFE-CVEARBPZSA-N 1 2 337.508 2.474 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132257040 1199496645 /nfs/dbraw/zinc/49/66/45/1199496645.db2.gz SPYCFBVXKZESFE-CVEARBPZSA-N 1 2 337.508 2.474 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3cnnn3C)C2)CCC1 ZINC001132281245 1199515224 /nfs/dbraw/zinc/51/52/24/1199515224.db2.gz AZKOUJVBMDKNQN-CABCVRRESA-N 1 2 331.464 2.031 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3cnnn3C)C2)CCC1 ZINC001132281245 1199515227 /nfs/dbraw/zinc/51/52/27/1199515227.db2.gz AZKOUJVBMDKNQN-CABCVRRESA-N 1 2 331.464 2.031 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)n1 ZINC000876777878 1199769929 /nfs/dbraw/zinc/76/99/29/1199769929.db2.gz VWNCIDMZJOXZIR-UHFFFAOYSA-N 1 2 334.379 2.468 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)n1 ZINC000876777878 1199769937 /nfs/dbraw/zinc/76/99/37/1199769937.db2.gz VWNCIDMZJOXZIR-UHFFFAOYSA-N 1 2 334.379 2.468 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)c1ccc(OC)cc1 ZINC001018294562 1224575718 /nfs/dbraw/zinc/57/57/18/1224575718.db2.gz DXMQBONLODCMES-SCTDSRPQSA-N 1 2 326.440 2.497 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)c1ccc(OC)cc1 ZINC001018294562 1224575727 /nfs/dbraw/zinc/57/57/27/1224575727.db2.gz DXMQBONLODCMES-SCTDSRPQSA-N 1 2 326.440 2.497 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(N4CCCC4)nc3)CC2)cc1 ZINC000877745359 1200068533 /nfs/dbraw/zinc/06/85/33/1200068533.db2.gz REMOLMLYXGXDEB-UHFFFAOYSA-N 1 2 348.454 2.271 20 30 EEEDLO Cc1ccn(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c(=O)c1C#N ZINC000811781942 1200293426 /nfs/dbraw/zinc/29/34/26/1200293426.db2.gz JGAVGDQTIOQEBL-HXUWFJFHSA-N 1 2 335.407 2.456 20 30 EEEDLO Cc1ccn(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c(=O)c1C#N ZINC000811781942 1200293430 /nfs/dbraw/zinc/29/34/30/1200293430.db2.gz JGAVGDQTIOQEBL-HXUWFJFHSA-N 1 2 335.407 2.456 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c2ccccc2c1OC ZINC001018324107 1224609244 /nfs/dbraw/zinc/60/92/44/1224609244.db2.gz RWMILXDIZPNAMU-GASCZTMLSA-N 1 2 337.423 2.489 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c2ccccc2c1OC ZINC001018324107 1224609246 /nfs/dbraw/zinc/60/92/46/1224609246.db2.gz RWMILXDIZPNAMU-GASCZTMLSA-N 1 2 337.423 2.489 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)C(C)=C3CCC3)C2)CC1 ZINC001018364307 1224647920 /nfs/dbraw/zinc/64/79/20/1224647920.db2.gz RUYDVPRMVXRKIG-SFHVURJKSA-N 1 2 345.487 2.056 20 30 EEEDLO C[C@H](NC(=O)Nc1cc(C#N)c(F)cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000880714992 1201566263 /nfs/dbraw/zinc/56/62/63/1201566263.db2.gz GPFLAZHRXJYPPO-QWRGUYRKSA-N 1 2 338.358 2.067 20 30 EEEDLO CC(C)Oc1ccc(NC(=O)/C=C/C[NH+]2CCOCC2)cc1C#N ZINC000866829468 1201613788 /nfs/dbraw/zinc/61/37/88/1201613788.db2.gz VCTQMTVQYDSIET-ONEGZZNKSA-N 1 2 329.400 2.172 20 30 EEEDLO CC#CC[NH2+]Cc1cn(CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nn1 ZINC000881368857 1201686988 /nfs/dbraw/zinc/68/69/88/1201686988.db2.gz PAVNRNWNLBQCJF-HNNXBMFYSA-N 1 2 347.463 2.038 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001095322398 1201763692 /nfs/dbraw/zinc/76/36/92/1201763692.db2.gz AHCYBFXAWSSVEM-HNNXBMFYSA-N 1 2 343.475 2.224 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001095322398 1201763695 /nfs/dbraw/zinc/76/36/95/1201763695.db2.gz AHCYBFXAWSSVEM-HNNXBMFYSA-N 1 2 343.475 2.224 20 30 EEEDLO C=CCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nsc(N(C)C)n2)C12CCC2 ZINC001202590074 1202183607 /nfs/dbraw/zinc/18/36/07/1202183607.db2.gz HGYFFYGCEJFZBU-STQMWFEESA-N 1 2 349.504 2.087 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)c(C)n1)C2 ZINC001273992379 1202287610 /nfs/dbraw/zinc/28/76/10/1202287610.db2.gz GWSDGZJGRGRZCN-SFHVURJKSA-N 1 2 349.862 2.280 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)c(C)n1)C2 ZINC001273992379 1202287612 /nfs/dbraw/zinc/28/76/12/1202287612.db2.gz GWSDGZJGRGRZCN-SFHVURJKSA-N 1 2 349.862 2.280 20 30 EEEDLO CCOc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)co1 ZINC001015102026 1224748140 /nfs/dbraw/zinc/74/81/40/1224748140.db2.gz HWWKERQXMONGNV-LLVKDONJSA-N 1 2 346.412 2.011 20 30 EEEDLO CCOc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)co1 ZINC001015102026 1224748146 /nfs/dbraw/zinc/74/81/46/1224748146.db2.gz HWWKERQXMONGNV-LLVKDONJSA-N 1 2 346.412 2.011 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cnc(OCC)c(F)c2)C1=O ZINC001274469907 1205048893 /nfs/dbraw/zinc/04/88/93/1205048893.db2.gz FSAULFNQOOPSAE-GOSISDBHSA-N 1 2 333.407 2.372 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cnc(OCC)c(F)c2)C1=O ZINC001274469907 1205048895 /nfs/dbraw/zinc/04/88/95/1205048895.db2.gz FSAULFNQOOPSAE-GOSISDBHSA-N 1 2 333.407 2.372 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ncccc1Br ZINC001274497434 1205057522 /nfs/dbraw/zinc/05/75/22/1205057522.db2.gz IESHXYPQKAIWOX-HUUCEWRRSA-N 1 2 348.244 2.043 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncccc1Br ZINC001274497434 1205057523 /nfs/dbraw/zinc/05/75/23/1205057523.db2.gz IESHXYPQKAIWOX-HUUCEWRRSA-N 1 2 348.244 2.043 20 30 EEEDLO C=CCN1C(=O)COCC12C[NH+](Cc1ccc(F)c3ccoc31)C2 ZINC001274697419 1205134452 /nfs/dbraw/zinc/13/44/52/1205134452.db2.gz JVTROYDSQFIWJB-UHFFFAOYSA-N 1 2 330.359 2.171 20 30 EEEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2c1nc(NCC2CC2)c(C)c[nH+]1 ZINC001274726382 1205142466 /nfs/dbraw/zinc/14/24/66/1205142466.db2.gz SYRYXXQKSCFEDM-HZPDHXFCSA-N 1 2 341.459 2.363 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3CCCc2cccnc2)cc1C#N ZINC001274969131 1205220997 /nfs/dbraw/zinc/22/09/97/1205220997.db2.gz NTFWBIHRLOYHPP-BGYRXZFFSA-N 1 2 335.455 2.183 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3CCCc2cccnc2)cc1C#N ZINC001274969131 1205221001 /nfs/dbraw/zinc/22/10/01/1205221001.db2.gz NTFWBIHRLOYHPP-BGYRXZFFSA-N 1 2 335.455 2.183 20 30 EEEDLO Cc1ncsc1C[N@@H+]1CCC12CN(Cc1ccc(C#N)cn1)C2 ZINC001275032690 1205239405 /nfs/dbraw/zinc/23/94/05/1205239405.db2.gz ZEULNWJVMUPSFL-UHFFFAOYSA-N 1 2 325.441 2.179 20 30 EEEDLO Cc1ncsc1C[N@H+]1CCC12CN(Cc1ccc(C#N)cn1)C2 ZINC001275032690 1205239408 /nfs/dbraw/zinc/23/94/08/1205239408.db2.gz ZEULNWJVMUPSFL-UHFFFAOYSA-N 1 2 325.441 2.179 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cc(Cl)ccn4)C3)C2)cc1C#N ZINC001275333913 1205312150 /nfs/dbraw/zinc/31/21/50/1205312150.db2.gz DLFKTJYSSYTAGK-UHFFFAOYSA-N 1 2 341.846 2.263 20 30 EEEDLO N#Cc1ccc(CN2CC3(C2)C[NH+](Cc2cccc(=O)[nH]2)C3)s1 ZINC001275589618 1205433353 /nfs/dbraw/zinc/43/33/53/1205433353.db2.gz VRQNAPPGLXLCSF-UHFFFAOYSA-N 1 2 326.425 2.038 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC3(CN(Cc4cccc(=O)[nH]4)C3)C2)s1 ZINC001275589618 1205433354 /nfs/dbraw/zinc/43/33/54/1205433354.db2.gz VRQNAPPGLXLCSF-UHFFFAOYSA-N 1 2 326.425 2.038 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(Cc4c(F)cccc4F)C3)C2)cc1C#N ZINC001275925165 1205589834 /nfs/dbraw/zinc/58/98/34/1205589834.db2.gz ALZMCVJJGIFLGD-UHFFFAOYSA-N 1 2 342.393 2.493 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn3nccc13)C2 ZINC001095686540 1205915466 /nfs/dbraw/zinc/91/54/66/1205915466.db2.gz OMJSMRAEQLIQPW-INWMFGNUSA-N 1 2 330.819 2.422 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn3nccc13)C2 ZINC001095686540 1205915468 /nfs/dbraw/zinc/91/54/68/1205915468.db2.gz OMJSMRAEQLIQPW-INWMFGNUSA-N 1 2 330.819 2.422 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C)C1 ZINC001015213473 1224924664 /nfs/dbraw/zinc/92/46/64/1224924664.db2.gz KAWPHNUVLFQSAX-HZPDHXFCSA-N 1 2 344.459 2.125 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCC ZINC001110936537 1206316655 /nfs/dbraw/zinc/31/66/55/1206316655.db2.gz SCWVRKIJLLLOLK-VQHPVUNQSA-N 1 2 335.492 2.227 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCC ZINC001110936537 1206316656 /nfs/dbraw/zinc/31/66/56/1206316656.db2.gz SCWVRKIJLLLOLK-VQHPVUNQSA-N 1 2 335.492 2.227 20 30 EEEDLO COc1ncc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1C#N ZINC000932508936 1207619373 /nfs/dbraw/zinc/61/93/73/1207619373.db2.gz HRGYFIBNRQFOLG-CQSZACIVSA-N 1 2 326.360 2.027 20 30 EEEDLO C#CCOc1cccc(Cl)c1C[NH2+]CC(=O)NCC(F)(F)F ZINC000778158858 1207745646 /nfs/dbraw/zinc/74/56/46/1207745646.db2.gz PHTBBPZJXRYCSS-UHFFFAOYSA-N 1 2 334.725 2.120 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)CC1CC1 ZINC001111072904 1207951837 /nfs/dbraw/zinc/95/18/37/1207951837.db2.gz ZDBJUNVAIXAXEH-ZACQAIPSSA-N 1 2 347.503 2.179 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)CC1CC1 ZINC001111072904 1207951844 /nfs/dbraw/zinc/95/18/44/1207951844.db2.gz ZDBJUNVAIXAXEH-ZACQAIPSSA-N 1 2 347.503 2.179 20 30 EEEDLO CCc1cnc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C[C@@H]2C)o1 ZINC000947174282 1208403910 /nfs/dbraw/zinc/40/39/10/1208403910.db2.gz IJQKNMVZPAOTJM-JSGCOSHPSA-N 1 2 341.415 2.220 20 30 EEEDLO CCc1cnc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C[C@@H]2C)o1 ZINC000947174282 1208403912 /nfs/dbraw/zinc/40/39/12/1208403912.db2.gz IJQKNMVZPAOTJM-JSGCOSHPSA-N 1 2 341.415 2.220 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3coc(C)n3)[C@H](C)C2)nc1 ZINC000947949284 1208789837 /nfs/dbraw/zinc/78/98/37/1208789837.db2.gz SXBNBWKURPJFGD-CJNGLKHVSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3coc(C)n3)[C@H](C)C2)nc1 ZINC000947949284 1208789838 /nfs/dbraw/zinc/78/98/38/1208789838.db2.gz SXBNBWKURPJFGD-CJNGLKHVSA-N 1 2 338.411 2.142 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(Cl)n(C)n1 ZINC000948935358 1209461967 /nfs/dbraw/zinc/46/19/67/1209461967.db2.gz FVVUVKBUKBDFPC-INIZCTEOSA-N 1 2 342.830 2.036 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(Cl)n(C)n1 ZINC000948935358 1209461969 /nfs/dbraw/zinc/46/19/69/1209461969.db2.gz FVVUVKBUKBDFPC-INIZCTEOSA-N 1 2 342.830 2.036 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnn(CC)c1C ZINC000948974891 1209483246 /nfs/dbraw/zinc/48/32/46/1209483246.db2.gz NYAQKDLAOFLCLJ-IBGZPJMESA-N 1 2 336.439 2.174 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnn(CC)c1C ZINC000948974891 1209483248 /nfs/dbraw/zinc/48/32/48/1209483248.db2.gz NYAQKDLAOFLCLJ-IBGZPJMESA-N 1 2 336.439 2.174 20 30 EEEDLO C=CC[NH+]1CCC2(CC1)CN(C(=O)c1[nH]nc3ccccc31)CCO2 ZINC000949239697 1209589328 /nfs/dbraw/zinc/58/93/28/1209589328.db2.gz SYSWJYLWGGZBFV-UHFFFAOYSA-N 1 2 340.427 2.056 20 30 EEEDLO Cc1cc(C)c(C(=O)NCC2CCN(C(=O)[C@@H](C)C#N)CC2)c(C)[nH+]1 ZINC000949391080 1209663101 /nfs/dbraw/zinc/66/31/01/1209663101.db2.gz QKARVSIVPFXSKZ-ZDUSSCGKSA-N 1 2 342.443 2.135 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)c3ccccc3C)CC2)C1 ZINC000949528877 1209729589 /nfs/dbraw/zinc/72/95/89/1209729589.db2.gz DHASVTJSMKOTCX-GOSISDBHSA-N 1 2 340.467 2.425 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)c3ccccc3C)CC2)C1 ZINC000949528877 1209729591 /nfs/dbraw/zinc/72/95/91/1209729591.db2.gz DHASVTJSMKOTCX-GOSISDBHSA-N 1 2 340.467 2.425 20 30 EEEDLO CCc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(C)nn1 ZINC001015389389 1225185779 /nfs/dbraw/zinc/18/57/79/1225185779.db2.gz QGAGXRYSAKTNPN-SFHVURJKSA-N 1 2 349.438 2.223 20 30 EEEDLO CCc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(C)nn1 ZINC001015389389 1225185781 /nfs/dbraw/zinc/18/57/81/1225185781.db2.gz QGAGXRYSAKTNPN-SFHVURJKSA-N 1 2 349.438 2.223 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[NH+](Cc3cccc(OC)c3C)CC2)c1 ZINC000950406929 1210193872 /nfs/dbraw/zinc/19/38/72/1210193872.db2.gz RGPBLVDVKMZVGF-UHFFFAOYSA-N 1 2 349.434 2.338 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(COC)cc2)CC1 ZINC000950590206 1210292846 /nfs/dbraw/zinc/29/28/46/1210292846.db2.gz DOXRYJUHVJCOGJ-MOPGFXCFSA-N 1 2 344.455 2.068 20 30 EEEDLO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cnn(-c2cccc(Cl)c2)c1C ZINC000779798736 1210995895 /nfs/dbraw/zinc/99/58/95/1210995895.db2.gz FQPZKAVNLZQZJT-SNVBAGLBSA-N 1 2 330.823 2.495 20 30 EEEDLO CCS(=O)(=O)C1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000195164520 1211330156 /nfs/dbraw/zinc/33/01/56/1211330156.db2.gz JNJGOOMEXRAIHF-CQSZACIVSA-N 1 2 336.457 2.377 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnccc2C(F)(F)F)C1 ZINC000952371219 1211389219 /nfs/dbraw/zinc/38/92/19/1211389219.db2.gz NZJUXLOJWOOBAR-UHFFFAOYSA-N 1 2 325.334 2.270 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000955269573 1212962693 /nfs/dbraw/zinc/96/26/93/1212962693.db2.gz DLULMSXUPRSCNP-AWEZNQCLSA-N 1 2 344.459 2.101 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)C2(c3cccnc3)CC2)C1 ZINC001015596840 1225444956 /nfs/dbraw/zinc/44/49/56/1225444956.db2.gz IFIOYBROHGROKB-IBGZPJMESA-N 1 2 346.434 2.376 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C2(c3cccnc3)CC2)C1 ZINC001015596840 1225444961 /nfs/dbraw/zinc/44/49/61/1225444961.db2.gz IFIOYBROHGROKB-IBGZPJMESA-N 1 2 346.434 2.376 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)cs1 ZINC001015604470 1225453437 /nfs/dbraw/zinc/45/34/37/1225453437.db2.gz QIGWHOZCRTZKGO-MRXNPFEDSA-N 1 2 325.437 2.307 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cs1 ZINC001015604470 1225453441 /nfs/dbraw/zinc/45/34/41/1225453441.db2.gz QIGWHOZCRTZKGO-MRXNPFEDSA-N 1 2 325.437 2.307 20 30 EEEDLO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2CC2)cc1C#N ZINC001017285772 1213638302 /nfs/dbraw/zinc/63/83/02/1213638302.db2.gz XITZDZGQZJBDMV-CALCHBBNSA-N 1 2 325.412 2.152 20 30 EEEDLO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2CC2)cc1C#N ZINC001017285772 1213638307 /nfs/dbraw/zinc/63/83/07/1213638307.db2.gz XITZDZGQZJBDMV-CALCHBBNSA-N 1 2 325.412 2.152 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc(C(C)C)s2)C1 ZINC000958758112 1213796445 /nfs/dbraw/zinc/79/64/45/1213796445.db2.gz BUUHFPAGJHAATI-NWDGAFQWSA-N 1 2 343.880 2.042 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc(C(C)C)s2)C1 ZINC000958758112 1213796449 /nfs/dbraw/zinc/79/64/49/1213796449.db2.gz BUUHFPAGJHAATI-NWDGAFQWSA-N 1 2 343.880 2.042 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC000956590649 1214112446 /nfs/dbraw/zinc/11/24/46/1214112446.db2.gz QFHJAPSATBEIIT-UGIZUQJLSA-N 1 2 347.503 2.300 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC(C)C)C2)CC1 ZINC000956600637 1214123559 /nfs/dbraw/zinc/12/35/59/1214123559.db2.gz FMWYMBCNALFGGT-KRWDZBQOSA-N 1 2 349.519 2.380 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C3(C)CC3)C2)CC1 ZINC000956606250 1214127175 /nfs/dbraw/zinc/12/71/75/1214127175.db2.gz QGIZWGVEWDEOKZ-APWZRJJASA-N 1 2 347.503 2.134 20 30 EEEDLO CC(C)[C@@H](NC(=O)CO[NH+]=C(N)Cc1cccnc1)c1ccccc1 ZINC000092914659 1214691742 /nfs/dbraw/zinc/69/17/42/1214691742.db2.gz XPUIWSQKBOSJCT-LJQANCHMSA-N 1 2 340.427 2.426 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC(C)C)OC ZINC001114804082 1215370457 /nfs/dbraw/zinc/37/04/57/1215370457.db2.gz SERXVCQQAQSNIJ-RFQIPJPRSA-N 1 2 345.281 2.003 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC(C)C)OC ZINC001114804082 1215370460 /nfs/dbraw/zinc/37/04/60/1215370460.db2.gz SERXVCQQAQSNIJ-RFQIPJPRSA-N 1 2 345.281 2.003 20 30 EEEDLO C=C(Cl)CN1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000957764135 1215412904 /nfs/dbraw/zinc/41/29/04/1215412904.db2.gz XLCRVZGWQFTLIA-UHFFFAOYSA-N 1 2 339.892 2.003 20 30 EEEDLO C=C(Cl)CN1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000957764135 1215412905 /nfs/dbraw/zinc/41/29/05/1215412905.db2.gz XLCRVZGWQFTLIA-UHFFFAOYSA-N 1 2 339.892 2.003 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CCC1 ZINC000958479194 1215733097 /nfs/dbraw/zinc/73/30/97/1215733097.db2.gz LMJICJVUEDAEOH-DZFIZOCASA-N 1 2 327.403 2.434 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CCC1 ZINC000958479194 1215733100 /nfs/dbraw/zinc/73/31/00/1215733100.db2.gz LMJICJVUEDAEOH-DZFIZOCASA-N 1 2 327.403 2.434 20 30 EEEDLO CCc1oncc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001015779115 1225658691 /nfs/dbraw/zinc/65/86/91/1225658691.db2.gz AZKQPMKPNOMKKT-AWEZNQCLSA-N 1 2 342.374 2.252 20 30 EEEDLO CCc1oncc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001015779115 1225658695 /nfs/dbraw/zinc/65/86/95/1225658695.db2.gz AZKQPMKPNOMKKT-AWEZNQCLSA-N 1 2 342.374 2.252 20 30 EEEDLO CCc1oncc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001015779101 1225658702 /nfs/dbraw/zinc/65/87/02/1225658702.db2.gz AOSJHLIMIWTZRX-LLVKDONJSA-N 1 2 330.413 2.174 20 30 EEEDLO CCc1oncc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001015779101 1225658705 /nfs/dbraw/zinc/65/87/05/1225658705.db2.gz AOSJHLIMIWTZRX-LLVKDONJSA-N 1 2 330.413 2.174 20 30 EEEDLO CCCCc1noc(C[NH2+]C[C@@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC000960003408 1216292883 /nfs/dbraw/zinc/29/28/83/1216292883.db2.gz NEWACWSDKCKLDG-INIZCTEOSA-N 1 2 344.459 2.296 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2nccs2)cn1 ZINC000960976698 1216996546 /nfs/dbraw/zinc/99/65/46/1216996546.db2.gz LAWFRHOMFGSNEF-INIZCTEOSA-N 1 2 340.452 2.256 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2nccs2)cn1 ZINC000960976698 1216996549 /nfs/dbraw/zinc/99/65/49/1216996549.db2.gz LAWFRHOMFGSNEF-INIZCTEOSA-N 1 2 340.452 2.256 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(F)c[nH]1 ZINC000961213241 1217092369 /nfs/dbraw/zinc/09/23/69/1217092369.db2.gz LLSIQBQRTGGLJS-QLPKVWCKSA-N 1 2 342.349 2.025 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(F)c[nH]1 ZINC000961213241 1217092372 /nfs/dbraw/zinc/09/23/72/1217092372.db2.gz LLSIQBQRTGGLJS-QLPKVWCKSA-N 1 2 342.349 2.025 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cccn3)c2)C1 ZINC001015840299 1225731613 /nfs/dbraw/zinc/73/16/13/1225731613.db2.gz URDONKDLJQJUOD-HNNXBMFYSA-N 1 2 330.819 2.429 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cccn3)c2)C1 ZINC001015840299 1225731616 /nfs/dbraw/zinc/73/16/16/1225731616.db2.gz URDONKDLJQJUOD-HNNXBMFYSA-N 1 2 330.819 2.429 20 30 EEEDLO CC1(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CCOCC1 ZINC001015844039 1225736533 /nfs/dbraw/zinc/73/65/33/1225736533.db2.gz BBUNMFWWAVUYDQ-MRXNPFEDSA-N 1 2 345.418 2.205 20 30 EEEDLO CC1(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CCOCC1 ZINC001015844039 1225736538 /nfs/dbraw/zinc/73/65/38/1225736538.db2.gz BBUNMFWWAVUYDQ-MRXNPFEDSA-N 1 2 345.418 2.205 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015863580 1225761543 /nfs/dbraw/zinc/76/15/43/1225761543.db2.gz WYBNNDXCQVCXIZ-KRWDZBQOSA-N 1 2 340.402 2.021 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015863580 1225761550 /nfs/dbraw/zinc/76/15/50/1225761550.db2.gz WYBNNDXCQVCXIZ-KRWDZBQOSA-N 1 2 340.402 2.021 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1cnsn1 ZINC000965395322 1219053345 /nfs/dbraw/zinc/05/33/45/1219053345.db2.gz OBHKCRUOAFRAQQ-LRDDRELGSA-N 1 2 341.440 2.050 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1cnsn1 ZINC000965395322 1219053347 /nfs/dbraw/zinc/05/33/47/1219053347.db2.gz OBHKCRUOAFRAQQ-LRDDRELGSA-N 1 2 341.440 2.050 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@H](C)[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)s1 ZINC000965917135 1219356971 /nfs/dbraw/zinc/35/69/71/1219356971.db2.gz QEXGBKUBZKOIER-NHYWBVRUSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@H](C)[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)s1 ZINC000965917135 1219356975 /nfs/dbraw/zinc/35/69/75/1219356975.db2.gz QEXGBKUBZKOIER-NHYWBVRUSA-N 1 2 343.456 2.292 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000967112272 1220283666 /nfs/dbraw/zinc/28/36/66/1220283666.db2.gz ATRLFQZYWLBXSM-KUHUBIRLSA-N 1 2 346.475 2.298 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)cc3F)C2)cn1 ZINC001016028522 1225973256 /nfs/dbraw/zinc/97/32/56/1225973256.db2.gz ZNRNVIXBKWWMFM-QGZVFWFLSA-N 1 2 341.361 2.345 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)cc3F)C2)cn1 ZINC001016028522 1225973260 /nfs/dbraw/zinc/97/32/60/1225973260.db2.gz ZNRNVIXBKWWMFM-QGZVFWFLSA-N 1 2 341.361 2.345 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)cn1 ZINC001016027892 1225973378 /nfs/dbraw/zinc/97/33/78/1225973378.db2.gz UKMDSIPSGSCLPU-GOSISDBHSA-N 1 2 348.381 2.078 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)cn1 ZINC001016027892 1225973382 /nfs/dbraw/zinc/97/33/82/1225973382.db2.gz UKMDSIPSGSCLPU-GOSISDBHSA-N 1 2 348.381 2.078 20 30 EEEDLO C[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1NC(=O)c1cnco1 ZINC000967557495 1220625729 /nfs/dbraw/zinc/62/57/29/1220625729.db2.gz IISWBINJUMQIFN-YOEHRIQHSA-N 1 2 341.386 2.306 20 30 EEEDLO C[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1NC(=O)c1cnco1 ZINC000967557495 1220625733 /nfs/dbraw/zinc/62/57/33/1220625733.db2.gz IISWBINJUMQIFN-YOEHRIQHSA-N 1 2 341.386 2.306 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000968486905 1221343627 /nfs/dbraw/zinc/34/36/27/1221343627.db2.gz BIUJQHJKVFIYRS-DYVFJYSZSA-N 1 2 338.411 2.495 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000968486905 1221343630 /nfs/dbraw/zinc/34/36/30/1221343630.db2.gz BIUJQHJKVFIYRS-DYVFJYSZSA-N 1 2 338.411 2.495 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)C2CN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001006793245 1221946544 /nfs/dbraw/zinc/94/65/44/1221946544.db2.gz MBZUWWUBRYMZRP-AWEZNQCLSA-N 1 2 344.459 2.052 20 30 EEEDLO Cn1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001007090702 1222090165 /nfs/dbraw/zinc/09/01/65/1222090165.db2.gz GCBWWJQOCLVNFX-KRWDZBQOSA-N 1 2 340.402 2.430 20 30 EEEDLO Cn1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001007090702 1222090171 /nfs/dbraw/zinc/09/01/71/1222090171.db2.gz GCBWWJQOCLVNFX-KRWDZBQOSA-N 1 2 340.402 2.430 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(OC)no3)C2)cc1 ZINC001008143268 1222648297 /nfs/dbraw/zinc/64/82/97/1222648297.db2.gz BIRIZPSJOQWGGL-MRXNPFEDSA-N 1 2 339.395 2.059 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(OC)no3)C2)cc1 ZINC001008143268 1222648299 /nfs/dbraw/zinc/64/82/99/1222648299.db2.gz BIRIZPSJOQWGGL-MRXNPFEDSA-N 1 2 339.395 2.059 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001008857107 1223058660 /nfs/dbraw/zinc/05/86/60/1223058660.db2.gz VPWGJPXLNQVKJD-HNNXBMFYSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001008857107 1223058663 /nfs/dbraw/zinc/05/86/63/1223058663.db2.gz VPWGJPXLNQVKJD-HNNXBMFYSA-N 1 2 345.834 2.214 20 30 EEEDLO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)CCOC1 ZINC001009006153 1223110504 /nfs/dbraw/zinc/11/05/04/1223110504.db2.gz XGIFIDSLUFPSGJ-APWZRJJASA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)CCOC1 ZINC001009006153 1223110507 /nfs/dbraw/zinc/11/05/07/1223110507.db2.gz XGIFIDSLUFPSGJ-APWZRJJASA-N 1 2 345.418 2.205 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001009573641 1223289948 /nfs/dbraw/zinc/28/99/48/1223289948.db2.gz VALXJCXNVHEVEL-KRWDZBQOSA-N 1 2 349.862 2.269 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001009573641 1223289951 /nfs/dbraw/zinc/28/99/51/1223289951.db2.gz VALXJCXNVHEVEL-KRWDZBQOSA-N 1 2 349.862 2.269 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1CCCO1 ZINC001010057506 1223528816 /nfs/dbraw/zinc/52/88/16/1223528816.db2.gz HTTNWOMPPHVYMY-IAGOWNOFSA-N 1 2 332.831 2.061 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1CCCO1 ZINC001010057506 1223528819 /nfs/dbraw/zinc/52/88/19/1223528819.db2.gz HTTNWOMPPHVYMY-IAGOWNOFSA-N 1 2 332.831 2.061 20 30 EEEDLO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1)n1cccc1 ZINC001010565920 1223785880 /nfs/dbraw/zinc/78/58/80/1223785880.db2.gz JQQRINTYRHLDCG-WMLDXEAASA-N 1 2 340.402 2.451 20 30 EEEDLO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1)n1cccc1 ZINC001010565920 1223785881 /nfs/dbraw/zinc/78/58/81/1223785881.db2.gz JQQRINTYRHLDCG-WMLDXEAASA-N 1 2 340.402 2.451 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)Cc3cccnc3)C2)c1 ZINC001010619938 1223815615 /nfs/dbraw/zinc/81/56/15/1223815615.db2.gz KNVZNJADYSGTCQ-KRWDZBQOSA-N 1 2 338.386 2.026 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)Cc3cccnc3)C2)c1 ZINC001010619938 1223815619 /nfs/dbraw/zinc/81/56/19/1223815619.db2.gz KNVZNJADYSGTCQ-KRWDZBQOSA-N 1 2 338.386 2.026 20 30 EEEDLO COc1ccc(F)cc1C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010661172 1223839422 /nfs/dbraw/zinc/83/94/22/1223839422.db2.gz BWCYKMLDQFZBTQ-OAHLLOKOSA-N 1 2 342.374 2.038 20 30 EEEDLO COc1ccc(F)cc1C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010661172 1223839426 /nfs/dbraw/zinc/83/94/26/1223839426.db2.gz BWCYKMLDQFZBTQ-OAHLLOKOSA-N 1 2 342.374 2.038 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COc3cc(F)ccc3C2)C1 ZINC001014424006 1226602260 /nfs/dbraw/zinc/60/22/60/1226602260.db2.gz HSJKFXZMMHKOJB-ZFWWWQNUSA-N 1 2 338.810 2.320 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COc3cc(F)ccc3C2)C1 ZINC001014424006 1226602262 /nfs/dbraw/zinc/60/22/62/1226602262.db2.gz HSJKFXZMMHKOJB-ZFWWWQNUSA-N 1 2 338.810 2.320 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001017764638 1227707848 /nfs/dbraw/zinc/70/78/48/1227707848.db2.gz XZOCVJOBGADVPO-HDEZJCGLSA-N 1 2 330.378 2.377 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001017764638 1227707853 /nfs/dbraw/zinc/70/78/53/1227707853.db2.gz XZOCVJOBGADVPO-HDEZJCGLSA-N 1 2 330.378 2.377 20 30 EEEDLO CC(C)(C)c1cnc(C[NH2+][C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001018723517 1228340551 /nfs/dbraw/zinc/34/05/51/1228340551.db2.gz NIVCSPABCZRVJM-ZDUSSCGKSA-N 1 2 341.415 2.176 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H](C)Nc2nc(C)[nH+]c3c2CCCC3)nc1 ZINC001097961312 1248990697 /nfs/dbraw/zinc/99/06/97/1248990697.db2.gz SGYQONTYMFXXOV-ZDUSSCGKSA-N 1 2 349.438 2.271 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc3cccn3cn2)c1 ZINC001038394389 1229788531 /nfs/dbraw/zinc/78/85/31/1229788531.db2.gz QIKOBEYJSGKPEI-SFHVURJKSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc3cccn3cn2)c1 ZINC001038394389 1229788536 /nfs/dbraw/zinc/78/85/36/1229788536.db2.gz QIKOBEYJSGKPEI-SFHVURJKSA-N 1 2 345.406 2.210 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001058413018 1249009182 /nfs/dbraw/zinc/00/91/82/1249009182.db2.gz IORJCKYCWVAKEJ-LJQANCHMSA-N 1 2 348.450 2.321 20 30 EEEDLO COCc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)o1 ZINC001038487503 1229864013 /nfs/dbraw/zinc/86/40/13/1229864013.db2.gz XCWQJXUILUTWQL-INIZCTEOSA-N 1 2 339.395 2.302 20 30 EEEDLO COCc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)o1 ZINC001038487503 1229864018 /nfs/dbraw/zinc/86/40/18/1229864018.db2.gz XCWQJXUILUTWQL-INIZCTEOSA-N 1 2 339.395 2.302 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc3[nH]ccc3n2)c1 ZINC001038518887 1229889203 /nfs/dbraw/zinc/88/92/03/1229889203.db2.gz QRIVKJKPZONOOK-MRXNPFEDSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc3[nH]ccc3n2)c1 ZINC001038518887 1229889205 /nfs/dbraw/zinc/88/92/05/1229889205.db2.gz QRIVKJKPZONOOK-MRXNPFEDSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc3n[nH]cc3c2)c1 ZINC001038637440 1229945943 /nfs/dbraw/zinc/94/59/43/1229945943.db2.gz ABXCQJIHDJSCJF-SFHVURJKSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc3n[nH]cc3c2)c1 ZINC001038637440 1229945945 /nfs/dbraw/zinc/94/59/45/1229945945.db2.gz ABXCQJIHDJSCJF-SFHVURJKSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cnoc2C2CC2)c1 ZINC001038874397 1230126321 /nfs/dbraw/zinc/12/63/21/1230126321.db2.gz BFVYZCNKSIHFDG-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cnoc2C2CC2)c1 ZINC001038874397 1230126323 /nfs/dbraw/zinc/12/63/23/1230126323.db2.gz BFVYZCNKSIHFDG-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]n1 ZINC001039352640 1230546255 /nfs/dbraw/zinc/54/62/55/1230546255.db2.gz VYLBFMZAZWQYEI-SJORKVTESA-N 1 2 335.411 2.160 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]n1 ZINC001039352640 1230546260 /nfs/dbraw/zinc/54/62/60/1230546260.db2.gz VYLBFMZAZWQYEI-SJORKVTESA-N 1 2 335.411 2.160 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn[nH]1 ZINC001039352640 1230546263 /nfs/dbraw/zinc/54/62/63/1230546263.db2.gz VYLBFMZAZWQYEI-SJORKVTESA-N 1 2 335.411 2.160 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn[nH]1 ZINC001039352640 1230546268 /nfs/dbraw/zinc/54/62/68/1230546268.db2.gz VYLBFMZAZWQYEI-SJORKVTESA-N 1 2 335.411 2.160 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OCC)n[nH]1 ZINC001039391645 1230575453 /nfs/dbraw/zinc/57/54/53/1230575453.db2.gz ALOOJHUMLROODK-OLZOCXBDSA-N 1 2 338.839 2.240 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OCC)n[nH]1 ZINC001039391645 1230575454 /nfs/dbraw/zinc/57/54/54/1230575454.db2.gz ALOOJHUMLROODK-OLZOCXBDSA-N 1 2 338.839 2.240 20 30 EEEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC001039448526 1230616354 /nfs/dbraw/zinc/61/63/54/1230616354.db2.gz TYZBINRPOMNQQR-ILXRZTDVSA-N 1 2 345.468 2.307 20 30 EEEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC001039448526 1230616359 /nfs/dbraw/zinc/61/63/59/1230616359.db2.gz TYZBINRPOMNQQR-ILXRZTDVSA-N 1 2 345.468 2.307 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCCO[C@@H](CNc3cc[nH+]c(C)n3)C2)C1 ZINC001041528565 1231582502 /nfs/dbraw/zinc/58/25/02/1231582502.db2.gz KKQLWWKNWONGMZ-HNNXBMFYSA-N 1 2 330.432 2.171 20 30 EEEDLO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3[nH]nnc3-c3ccccc3)C2)C1 ZINC001041845508 1231728739 /nfs/dbraw/zinc/72/87/39/1231728739.db2.gz GBNMHWOVJPSKTM-IBGZPJMESA-N 1 2 337.427 2.196 20 30 EEEDLO C=CC[N@H+]1CC[C@]2(CCN(C(=O)c3[nH]nnc3-c3ccccc3)C2)C1 ZINC001041845508 1231728740 /nfs/dbraw/zinc/72/87/40/1231728740.db2.gz GBNMHWOVJPSKTM-IBGZPJMESA-N 1 2 337.427 2.196 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cocn3)C[C@H]21 ZINC001041972077 1231800182 /nfs/dbraw/zinc/80/01/82/1231800182.db2.gz IWOQATUGRVOMKA-DGCLKSJQSA-N 1 2 340.221 2.120 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cocn3)C[C@H]21 ZINC001041972077 1231800184 /nfs/dbraw/zinc/80/01/84/1231800184.db2.gz IWOQATUGRVOMKA-DGCLKSJQSA-N 1 2 340.221 2.120 20 30 EEEDLO Cc1ncc(C(=O)N2CC[C@@H]3CC[N@H+](CC#Cc4ccccc4)[C@@H]3C2)[nH]1 ZINC001041977797 1231804125 /nfs/dbraw/zinc/80/41/25/1231804125.db2.gz HQNZVKQSCQBFBR-AZUAARDMSA-N 1 2 348.450 2.306 20 30 EEEDLO Cc1ncc(C(=O)N2CC[C@@H]3CC[N@@H+](CC#Cc4ccccc4)[C@@H]3C2)[nH]1 ZINC001041977797 1231804126 /nfs/dbraw/zinc/80/41/26/1231804126.db2.gz HQNZVKQSCQBFBR-AZUAARDMSA-N 1 2 348.450 2.306 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]2CC[N@H+](Cc3ccon3)[C@@H]2C1 ZINC001042093933 1231883626 /nfs/dbraw/zinc/88/36/26/1231883626.db2.gz BWYHLYXBADQVPS-MAUKXSAKSA-N 1 2 340.427 2.399 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]2CC[N@@H+](Cc3ccon3)[C@@H]2C1 ZINC001042093933 1231883628 /nfs/dbraw/zinc/88/36/28/1231883628.db2.gz BWYHLYXBADQVPS-MAUKXSAKSA-N 1 2 340.427 2.399 20 30 EEEDLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CN(CC#Cc2ccccc2)C1 ZINC001043091549 1232258861 /nfs/dbraw/zinc/25/88/61/1232258861.db2.gz MFPXRDUCSIKBBT-UHFFFAOYSA-N 1 2 344.418 2.371 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(c3cc[nH+]c(C)n3)C[C@@H]2C)cc1 ZINC001067426382 1232349018 /nfs/dbraw/zinc/34/90/18/1232349018.db2.gz FWCUHNMZZICXGF-KBXCAEBGSA-N 1 2 334.423 2.411 20 30 EEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC001043371701 1232408225 /nfs/dbraw/zinc/40/82/25/1232408225.db2.gz CFPOVTOWMREHKU-MOPGFXCFSA-N 1 2 328.456 2.495 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nonc3c1)C2 ZINC001095957573 1232571862 /nfs/dbraw/zinc/57/18/62/1232571862.db2.gz XKZSHCHCEPQBPC-UGFHNGPFSA-N 1 2 332.791 2.310 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nonc3c1)C2 ZINC001095957573 1232571870 /nfs/dbraw/zinc/57/18/70/1232571870.db2.gz XKZSHCHCEPQBPC-UGFHNGPFSA-N 1 2 332.791 2.310 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[NH2+]Cc2nc([C@@H](C)OC)no2)C1 ZINC001045191528 1233569786 /nfs/dbraw/zinc/56/97/86/1233569786.db2.gz ZAKOWIHJJJNUEY-KGLIPLIRSA-N 1 2 348.447 2.214 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2ccon2)CC1 ZINC001045372185 1233701532 /nfs/dbraw/zinc/70/15/32/1233701532.db2.gz CHHBHWALGCXYNQ-UHFFFAOYSA-N 1 2 328.210 2.168 20 30 EEEDLO C#Cc1ccc(C(=O)NC2(C)CC[NH+](Cc3nccn3C)CC2)cc1 ZINC001045520559 1233790974 /nfs/dbraw/zinc/79/09/74/1233790974.db2.gz JGRGIVFKVYCLLE-UHFFFAOYSA-N 1 2 336.439 2.186 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ncccn2)C1 ZINC001045844615 1234060796 /nfs/dbraw/zinc/06/07/96/1234060796.db2.gz NQLPGSMTXMXNCW-CVEARBPZSA-N 1 2 326.444 2.398 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2ncccn2)C1 ZINC001045844615 1234060801 /nfs/dbraw/zinc/06/08/01/1234060801.db2.gz NQLPGSMTXMXNCW-CVEARBPZSA-N 1 2 326.444 2.398 20 30 EEEDLO C[C@@]1(NC(=O)[C@H]2CCOC2)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046176523 1234517747 /nfs/dbraw/zinc/51/77/47/1234517747.db2.gz FNBRXNWNLUZRNH-QFBILLFUSA-N 1 2 346.858 2.309 20 30 EEEDLO C[C@@]1(NC(=O)[C@H]2CCOC2)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046176523 1234517749 /nfs/dbraw/zinc/51/77/49/1234517749.db2.gz FNBRXNWNLUZRNH-QFBILLFUSA-N 1 2 346.858 2.309 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001046432102 1234795343 /nfs/dbraw/zinc/79/53/43/1234795343.db2.gz JMKWYZKUXVAJFO-KRWDZBQOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001046432102 1234795347 /nfs/dbraw/zinc/79/53/47/1234795347.db2.gz JMKWYZKUXVAJFO-KRWDZBQOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001046621069 1235004411 /nfs/dbraw/zinc/00/44/11/1235004411.db2.gz HMNTZLVOMXGSGD-IVSAIRAKSA-N 1 2 330.432 2.073 20 30 EEEDLO C[C@@]1(NC(=O)c2nccs2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046724790 1235115388 /nfs/dbraw/zinc/11/53/88/1235115388.db2.gz OSBPQDKHHPPZBE-QGZVFWFLSA-N 1 2 326.425 2.409 20 30 EEEDLO C[C@@]1(NC(=O)c2nccs2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046724790 1235115392 /nfs/dbraw/zinc/11/53/92/1235115392.db2.gz OSBPQDKHHPPZBE-QGZVFWFLSA-N 1 2 326.425 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccnn2CC)C1 ZINC001046931798 1235321829 /nfs/dbraw/zinc/32/18/29/1235321829.db2.gz FMIQDBZTMQOCAI-LBPRGKRZSA-N 1 2 346.809 2.343 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccnn2CC)C1 ZINC001046931798 1235321832 /nfs/dbraw/zinc/32/18/32/1235321832.db2.gz FMIQDBZTMQOCAI-LBPRGKRZSA-N 1 2 346.809 2.343 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096149292 1235449799 /nfs/dbraw/zinc/44/97/99/1235449799.db2.gz NUDLELNSIKBVND-DOTOQJQBSA-N 1 2 346.475 2.468 20 30 EEEDLO CCn1cncc1/C=C1\CN(C)C/C(=C/c2c[nH+]cn2CC)C1=O ZINC000901416759 1235751459 /nfs/dbraw/zinc/75/14/59/1235751459.db2.gz IUTUNQPTJIRTSQ-GEMWTQJRSA-N 1 2 325.416 2.101 20 30 EEEDLO CCn1cncc1/C=C1/CN(C)C/C(=C\c2c[nH+]cn2CC)C1=O ZINC000901416759 1235751466 /nfs/dbraw/zinc/75/14/66/1235751466.db2.gz IUTUNQPTJIRTSQ-GEMWTQJRSA-N 1 2 325.416 2.101 20 30 EEEDLO CN(C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)c1cccc(F)c1C#N ZINC001067772474 1249565814 /nfs/dbraw/zinc/56/58/14/1249565814.db2.gz UUZZNADKQQSOEX-ZDUSSCGKSA-N 1 2 341.390 2.090 20 30 EEEDLO CCCCCCC(=O)NCC[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC001096282107 1237062591 /nfs/dbraw/zinc/06/25/91/1237062591.db2.gz XXCVTNZQXITSTM-UHFFFAOYSA-N 1 2 343.475 2.162 20 30 EEEDLO CCCC[C@H](C)C(=O)NCC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC001096281729 1237085402 /nfs/dbraw/zinc/08/54/02/1237085402.db2.gz HLKIYSRRIAKSDZ-INIZCTEOSA-N 1 2 343.475 2.018 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3ccc(C)nc13)C2 ZINC001096367187 1237722834 /nfs/dbraw/zinc/72/28/34/1237722834.db2.gz SKVRKDYORRQNKV-SNPRPXQTSA-N 1 2 345.834 2.125 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3ccc(C)nc13)C2 ZINC001096367187 1237722837 /nfs/dbraw/zinc/72/28/37/1237722837.db2.gz SKVRKDYORRQNKV-SNPRPXQTSA-N 1 2 345.834 2.125 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1c1cccc(F)c1C#N ZINC001049021641 1239770339 /nfs/dbraw/zinc/77/03/39/1239770339.db2.gz BBPHVPYFJJQHJA-JKSUJKDBSA-N 1 2 341.390 2.137 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C(C)C)C[C@@H]2C1 ZINC001049026738 1239792062 /nfs/dbraw/zinc/79/20/62/1239792062.db2.gz YUSQMRSBBOQWPI-FCEWJHQRSA-N 1 2 345.491 2.352 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C(C)C)C[C@@H]2C1 ZINC001049026738 1239792067 /nfs/dbraw/zinc/79/20/67/1239792067.db2.gz YUSQMRSBBOQWPI-FCEWJHQRSA-N 1 2 345.491 2.352 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C#CC1CC1 ZINC001049470884 1241044980 /nfs/dbraw/zinc/04/49/80/1241044980.db2.gz ISDXYSBRRMEKLQ-HUUCEWRRSA-N 1 2 337.261 2.374 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C#CC1CC1 ZINC001049470884 1241044986 /nfs/dbraw/zinc/04/49/86/1241044986.db2.gz ISDXYSBRRMEKLQ-HUUCEWRRSA-N 1 2 337.261 2.374 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(C)c(C)n2)C1 ZINC001073697201 1242667085 /nfs/dbraw/zinc/66/70/85/1242667085.db2.gz BALVYVZXQPINCT-OAHLLOKOSA-N 1 2 337.851 2.272 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C)c(C)n2)C1 ZINC001073697201 1242667103 /nfs/dbraw/zinc/66/71/03/1242667103.db2.gz BALVYVZXQPINCT-OAHLLOKOSA-N 1 2 337.851 2.272 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001073854004 1242750582 /nfs/dbraw/zinc/75/05/82/1242750582.db2.gz UOIHZQAVCKSXLZ-CQSZACIVSA-N 1 2 337.851 2.077 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001073854004 1242750590 /nfs/dbraw/zinc/75/05/90/1242750590.db2.gz UOIHZQAVCKSXLZ-CQSZACIVSA-N 1 2 337.851 2.077 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H](CNC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC001096646819 1243039502 /nfs/dbraw/zinc/03/95/02/1243039502.db2.gz UIRGMADRRTWSIQ-MRXNPFEDSA-N 1 2 341.390 2.360 20 30 EEEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1cccnc1 ZINC001096723860 1243164415 /nfs/dbraw/zinc/16/44/15/1243164415.db2.gz SQGSIUPTHZZIDG-AQNXPRMDSA-N 1 2 331.419 2.468 20 30 EEEDLO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1cccnc1 ZINC001096723860 1243164419 /nfs/dbraw/zinc/16/44/19/1243164419.db2.gz SQGSIUPTHZZIDG-AQNXPRMDSA-N 1 2 331.419 2.468 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@@H](Nc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001096728146 1243172360 /nfs/dbraw/zinc/17/23/60/1243172360.db2.gz JLFYKAPQOHYVQP-GDBMZVCRSA-N 1 2 344.459 2.253 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H](Nc1[nH+]cnc2c1cnn2C)C1CC1 ZINC001096781950 1243253617 /nfs/dbraw/zinc/25/36/17/1243253617.db2.gz ZXNYAKHBIGLKGI-AWEZNQCLSA-N 1 2 342.447 2.272 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001097088165 1243686469 /nfs/dbraw/zinc/68/64/69/1243686469.db2.gz GUHKEEFRJGYIOH-KKUMJFAQSA-N 1 2 343.475 2.126 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001097088165 1243686475 /nfs/dbraw/zinc/68/64/75/1243686475.db2.gz GUHKEEFRJGYIOH-KKUMJFAQSA-N 1 2 343.475 2.126 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001097337498 1244012615 /nfs/dbraw/zinc/01/26/15/1244012615.db2.gz JYAWVQKRECVTGN-AWEZNQCLSA-N 1 2 342.447 2.052 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[NH+](Cc1cnn(CC)n1)CC2 ZINC001050645752 1244023995 /nfs/dbraw/zinc/02/39/95/1244023995.db2.gz XPTQZWFOJBLGJU-GOSISDBHSA-N 1 2 345.491 2.325 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001050741875 1244260212 /nfs/dbraw/zinc/26/02/12/1244260212.db2.gz JNFGKUKWYBBIKP-HOTGVXAUSA-N 1 2 346.475 2.229 20 30 EEEDLO C=CCOCC(=O)N[C@H](C)[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097514884 1244288763 /nfs/dbraw/zinc/28/87/63/1244288763.db2.gz JICMGRGLVRUIOI-NVXWUHKLSA-N 1 2 346.475 2.326 20 30 EEEDLO Cc1nc(N[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001057593692 1244375081 /nfs/dbraw/zinc/37/50/81/1244375081.db2.gz KFKKOGNSPMNOTM-TZMCWYRMSA-N 1 2 327.432 2.226 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnn(CC)n3)CC2)C1 ZINC001052690249 1244760914 /nfs/dbraw/zinc/76/09/14/1244760914.db2.gz MCBZPXNNRJLUHC-OAHLLOKOSA-N 1 2 331.464 2.125 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3cnn(CC)n3)CC2)C1 ZINC001052690249 1244760918 /nfs/dbraw/zinc/76/09/18/1244760918.db2.gz MCBZPXNNRJLUHC-OAHLLOKOSA-N 1 2 331.464 2.125 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001051092496 1244969917 /nfs/dbraw/zinc/96/99/17/1244969917.db2.gz UYJDVUAFXVFGOB-QGZVFWFLSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001051092496 1244969928 /nfs/dbraw/zinc/96/99/28/1244969928.db2.gz UYJDVUAFXVFGOB-QGZVFWFLSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1noc2c1CCCCC2 ZINC001051137730 1245032250 /nfs/dbraw/zinc/03/22/50/1245032250.db2.gz PLDFLWCOXRCOEQ-HNNXBMFYSA-N 1 2 347.459 2.340 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1noc2c1CCCCC2 ZINC001051137730 1245032255 /nfs/dbraw/zinc/03/22/55/1245032255.db2.gz PLDFLWCOXRCOEQ-HNNXBMFYSA-N 1 2 347.459 2.340 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccoc1Br ZINC001051194566 1245372969 /nfs/dbraw/zinc/37/29/69/1245372969.db2.gz IIWZUQCLEOSMTK-LLVKDONJSA-N 1 2 343.221 2.049 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccoc1Br ZINC001051194566 1245372975 /nfs/dbraw/zinc/37/29/75/1245372975.db2.gz IIWZUQCLEOSMTK-LLVKDONJSA-N 1 2 343.221 2.049 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(OC(C)C)c1 ZINC001051203860 1245386124 /nfs/dbraw/zinc/38/61/24/1245386124.db2.gz KYXULHDMFUEGOC-KRWDZBQOSA-N 1 2 347.459 2.266 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(OC(C)C)c1 ZINC001051203860 1245386129 /nfs/dbraw/zinc/38/61/29/1245386129.db2.gz KYXULHDMFUEGOC-KRWDZBQOSA-N 1 2 347.459 2.266 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H](C)[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053132511 1245961333 /nfs/dbraw/zinc/96/13/33/1245961333.db2.gz MXVIAVVXQZXRIU-LSDHHAIUSA-N 1 2 346.475 2.155 20 30 EEEDLO CC(C)(CNCC#N)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001101598633 1246009241 /nfs/dbraw/zinc/00/92/41/1246009241.db2.gz ZNNOVZRROWYLQY-UHFFFAOYSA-N 1 2 331.464 2.041 20 30 EEEDLO Cc1cc(C)c(C[NH+]2CC3(C2)CN(C(=O)[C@H](C)C#N)CCO3)c(C)c1 ZINC001053187241 1246025969 /nfs/dbraw/zinc/02/59/69/1246025969.db2.gz HXXMPFCRDLVFGU-QGZVFWFLSA-N 1 2 341.455 2.185 20 30 EEEDLO C=C1CCC(C(=O)N2CCO[C@H](C[NH2+][C@@H](C)c3nnc(C)o3)C2)CC1 ZINC001051803491 1246124979 /nfs/dbraw/zinc/12/49/79/1246124979.db2.gz PABGYINLKSDZJT-XJKSGUPXSA-N 1 2 348.447 2.002 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnc(CC3CC3)s1)CCO2 ZINC001053353607 1246224649 /nfs/dbraw/zinc/22/46/49/1246224649.db2.gz VZXPRTSRBGMSBA-UHFFFAOYSA-N 1 2 347.484 2.199 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)CC(C)(C)C)C2)CC1 ZINC001051983019 1246340909 /nfs/dbraw/zinc/34/09/09/1246340909.db2.gz KOOVOKUVUPPYFM-HNNXBMFYSA-N 1 2 327.900 2.394 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(C)=C3CCCC3)C2)CC1 ZINC001052011033 1246374548 /nfs/dbraw/zinc/37/45/48/1246374548.db2.gz KVXIGSVOSXZPMI-LJQANCHMSA-N 1 2 329.488 2.119 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C3=CCCCCC3)C2)CC1 ZINC001052016844 1246381506 /nfs/dbraw/zinc/38/15/06/1246381506.db2.gz BBRYMXZLOCQCJU-LJQANCHMSA-N 1 2 329.488 2.119 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(CCC)s3)C2)CC1 ZINC001052036059 1246403199 /nfs/dbraw/zinc/40/31/99/1246403199.db2.gz YJDJZEPVBPACIZ-MRXNPFEDSA-N 1 2 345.512 2.166 20 30 EEEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(CCC)s3)C2)CC1 ZINC001052036059 1246403205 /nfs/dbraw/zinc/40/32/05/1246403205.db2.gz YJDJZEPVBPACIZ-MRXNPFEDSA-N 1 2 345.512 2.166 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CCC3(CCC3)CO1)CCO2 ZINC001053513951 1246416294 /nfs/dbraw/zinc/41/62/94/1246416294.db2.gz IAPZFRQDXMMJTK-QGZVFWFLSA-N 1 2 348.487 2.215 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C3CCC4(CC4)CC3)C2)CC1 ZINC001052049667 1246420220 /nfs/dbraw/zinc/42/02/20/1246420220.db2.gz NPIFKRDJCHSRKI-IBGZPJMESA-N 1 2 343.515 2.199 20 30 EEEDLO Cc1cc(Cl)cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c1 ZINC001052052036 1246423042 /nfs/dbraw/zinc/42/30/42/1246423042.db2.gz GGQWBSJXAJVQPP-QGZVFWFLSA-N 1 2 346.862 2.004 20 30 EEEDLO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)ccc1Cl ZINC001052077934 1246453713 /nfs/dbraw/zinc/45/37/13/1246453713.db2.gz YGGMUHKNUWTWAZ-MRXNPFEDSA-N 1 2 346.862 2.004 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)CC3CCCC3)C2)CC1 ZINC001052092786 1246471180 /nfs/dbraw/zinc/47/11/80/1246471180.db2.gz ILDLMLLQOFHLTJ-QUCCMNQESA-N 1 2 345.531 2.445 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)C3CCCC3)C2)CC1 ZINC001052106924 1246486429 /nfs/dbraw/zinc/48/64/29/1246486429.db2.gz WWIMPQTYWSDOQQ-PKOBYXMFSA-N 1 2 331.504 2.055 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)C2)CC1 ZINC001052110444 1246491704 /nfs/dbraw/zinc/49/17/04/1246491704.db2.gz QZMLGKUFJHOESW-VAMGGRTRSA-N 1 2 345.531 2.445 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCC(C)(C)C3)C2)CC1 ZINC001052124179 1246510704 /nfs/dbraw/zinc/51/07/04/1246510704.db2.gz ZGMCLRJOBCAIPL-OALUTQOASA-N 1 2 345.531 2.445 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1Cc3ccc(F)cc31)O2 ZINC001053651777 1246592737 /nfs/dbraw/zinc/59/27/37/1246592737.db2.gz KXIDSTJOSQSNMQ-NVXWUHKLSA-N 1 2 330.403 2.001 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn([C@H](C)CC)c1C)O2 ZINC001053686939 1246650141 /nfs/dbraw/zinc/65/01/41/1246650141.db2.gz DCEZEDQPXHJQGJ-GDBMZVCRSA-N 1 2 346.475 2.312 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C)c(OC)c1)CO2 ZINC001053862588 1246928390 /nfs/dbraw/zinc/92/83/90/1246928390.db2.gz AKHZQGJKQLVQAF-INIZCTEOSA-N 1 2 330.428 2.153 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc3ncccc31)CO2 ZINC001053886464 1246967399 /nfs/dbraw/zinc/96/73/99/1246967399.db2.gz LDRSUGIXKMOGRJ-OAHLLOKOSA-N 1 2 337.423 2.384 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1c(F)ccc(F)c1F)CO2 ZINC001053910419 1247001730 /nfs/dbraw/zinc/00/17/30/1247001730.db2.gz ZHCGVJJUXMIWKU-NSHDSACASA-N 1 2 340.345 2.253 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1cccc(Cl)c1)CO2 ZINC001053912816 1247005745 /nfs/dbraw/zinc/00/57/45/1247005745.db2.gz HMANNBHJHNUJDP-INIZCTEOSA-N 1 2 334.847 2.418 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(Cl)cc1C)CO2 ZINC001053915859 1247011072 /nfs/dbraw/zinc/01/10/72/1247011072.db2.gz UPRMQPXTGXOCNY-HNNXBMFYSA-N 1 2 332.831 2.245 20 30 EEEDLO 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340.876 2.112 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](CC=C(Cl)Cl)C[C@@H]1O ZINC001099850520 1299439763 /nfs/dbraw/zinc/43/97/63/1299439763.db2.gz PNIUYLHVRYCESZ-NEPJUHHUSA-N 1 2 335.275 2.459 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](CC=C(Cl)Cl)C[C@@H]1O ZINC001099850520 1299439777 /nfs/dbraw/zinc/43/97/77/1299439777.db2.gz PNIUYLHVRYCESZ-NEPJUHHUSA-N 1 2 335.275 2.459 20 30 EEEDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CN(C)CCO3)C2)c(F)c1C#N ZINC001276858114 1299960163 /nfs/dbraw/zinc/96/01/63/1299960163.db2.gz BIYSCHHDTFRTSB-LJQANCHMSA-N 1 2 346.450 2.060 20 30 EEEDLO CN(C)c1ccc(C[N@H+]2CCC[C@@]3(CN(C)CCO3)C2)c(F)c1C#N ZINC001276858114 1299960165 /nfs/dbraw/zinc/96/01/65/1299960165.db2.gz BIYSCHHDTFRTSB-LJQANCHMSA-N 1 2 346.450 2.060 20 30 EEEDLO Cc1nnc([C@H](C)[NH+]2CCC(CNC(=O)C#CC(C)C)CC2)s1 ZINC001223114827 1299983742 /nfs/dbraw/zinc/98/37/42/1299983742.db2.gz UFVSPTXQLIQLHM-ZDUSSCGKSA-N 1 2 334.489 2.395 20 30 EEEDLO CC#CCCCC(=O)NCC1CC[NH+](Cc2nnc(C)n2CC)CC1 ZINC001224158062 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334.383 2.186 20 30 EEEDLO Cc1nc2[nH]cnc2c(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001229438471 1302781772 /nfs/dbraw/zinc/78/17/72/1302781772.db2.gz MRNMGNPYHZABPW-HNNXBMFYSA-N 1 2 334.383 2.186 20 30 EEEDLO Cc1nc2[nH]cnc2c(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001229438471 1302781776 /nfs/dbraw/zinc/78/17/76/1302781776.db2.gz MRNMGNPYHZABPW-HNNXBMFYSA-N 1 2 334.383 2.186 20 30 EEEDLO CC[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)Nc1ccncc1C#N ZINC001103377972 1302869239 /nfs/dbraw/zinc/86/92/39/1302869239.db2.gz KMZCXHNLOLPWDN-INIZCTEOSA-N 1 2 337.427 2.316 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNc2cc[nH+]c(C)n2)CCCC1 ZINC001103462817 1302995188 /nfs/dbraw/zinc/99/51/88/1302995188.db2.gz ZKNDZSRFADTBCA-CABCVRRESA-N 1 2 330.432 2.217 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NCCC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001103674792 1303210014 /nfs/dbraw/zinc/21/00/14/1303210014.db2.gz YXSBARMQXDGUGQ-OAHLLOKOSA-N 1 2 346.475 2.489 20 30 EEEDLO COCC1(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)CCCC1 ZINC001230573114 1303285901 /nfs/dbraw/zinc/28/59/01/1303285901.db2.gz XSXGPQBTRVPYSR-KRWDZBQOSA-N 1 2 333.476 2.420 20 30 EEEDLO COCC1(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)CCCC1 ZINC001230573114 1303285905 /nfs/dbraw/zinc/28/59/05/1303285905.db2.gz XSXGPQBTRVPYSR-KRWDZBQOSA-N 1 2 333.476 2.420 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CCC2(CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001103828588 1303383738 /nfs/dbraw/zinc/38/37/38/1303383738.db2.gz HEHNNOYBCFAXOH-OAHLLOKOSA-N 1 2 344.459 2.195 20 30 EEEDLO Cc1ncoc1C[N@@H+](CCCNC(=O)[C@@H](C)C#N)Cc1cccnc1 ZINC001230713652 1303408409 /nfs/dbraw/zinc/40/84/09/1303408409.db2.gz HUMHQICNPJAQBX-AWEZNQCLSA-N 1 2 341.415 2.046 20 30 EEEDLO Cc1ncoc1C[N@H+](CCCNC(=O)[C@@H](C)C#N)Cc1cccnc1 ZINC001230713652 1303408410 /nfs/dbraw/zinc/40/84/10/1303408410.db2.gz HUMHQICNPJAQBX-AWEZNQCLSA-N 1 2 341.415 2.046 20 30 EEEDLO C=C(Cl)C[N@H+](CCCNC(=O)Cc1cnoc1)Cc1cccnc1 ZINC001230824706 1303485348 /nfs/dbraw/zinc/48/53/48/1303485348.db2.gz NGJVBIWAVHUBQX-UHFFFAOYSA-N 1 2 348.834 2.373 20 30 EEEDLO C=C(Cl)C[N@@H+](CCCNC(=O)Cc1cnoc1)Cc1cccnc1 ZINC001230824706 1303485353 /nfs/dbraw/zinc/48/53/53/1303485353.db2.gz NGJVBIWAVHUBQX-UHFFFAOYSA-N 1 2 348.834 2.373 20 30 EEEDLO COCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001230880874 1303521230 /nfs/dbraw/zinc/52/12/30/1303521230.db2.gz OYSZWUSCTHMOAT-MRXNPFEDSA-N 1 2 333.407 2.157 20 30 EEEDLO COCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001230880874 1303521233 /nfs/dbraw/zinc/52/12/33/1303521233.db2.gz OYSZWUSCTHMOAT-MRXNPFEDSA-N 1 2 333.407 2.157 20 30 EEEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1C[C@H](O)c1cc(F)ccc1F ZINC001231121950 1303640471 /nfs/dbraw/zinc/64/04/71/1303640471.db2.gz IYGBVSLLZPKZAZ-YOEHRIQHSA-N 1 2 338.398 2.497 20 30 EEEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1C[C@H](O)c1cc(F)ccc1F ZINC001231121950 1303640475 /nfs/dbraw/zinc/64/04/75/1303640475.db2.gz IYGBVSLLZPKZAZ-YOEHRIQHSA-N 1 2 338.398 2.497 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)C[C@H]1CCOC1 ZINC001231401251 1303774535 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Cc1noc(C)c1C[NH+]1CCN(C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001364358790 1373596593 /nfs/dbraw/zinc/59/65/93/1373596593.db2.gz QDJAVATUEXHRFK-LJQANCHMSA-N 1 2 340.427 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc(Cl)cn1 ZINC001366215397 1373841462 /nfs/dbraw/zinc/84/14/62/1373841462.db2.gz ANEQWPLJKYKIGC-ZDUSSCGKSA-N 1 2 331.247 2.260 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc(Cl)cn1 ZINC001366215397 1373841465 /nfs/dbraw/zinc/84/14/65/1373841465.db2.gz ANEQWPLJKYKIGC-ZDUSSCGKSA-N 1 2 331.247 2.260 20 30 EEEDLO C[C@H](C[N@H+](C)Cc1cc(O)ccc1Cl)NC(=O)c1cc(C#N)c[nH]1 ZINC001367790013 1374266835 /nfs/dbraw/zinc/26/68/35/1374266835.db2.gz FNRVTGANFQKACD-LLVKDONJSA-N 1 2 346.818 2.496 20 30 EEEDLO C[C@H](C[N@@H+](C)Cc1cc(O)ccc1Cl)NC(=O)c1cc(C#N)c[nH]1 ZINC001367790013 1374266839 /nfs/dbraw/zinc/26/68/39/1374266839.db2.gz FNRVTGANFQKACD-LLVKDONJSA-N 1 2 346.818 2.496 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+](CCNC(=O)c2ccc[nH]2)C2CC2)c1 ZINC001372760038 1376190312 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/nfs/dbraw/zinc/01/35/91/1407013591.db2.gz MHKBWXOFVDDABE-HOKKKISVSA-N 1 2 338.451 2.320 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CCO[C@H](C)CC(C)C)CCO2 ZINC001755051372 1407057636 /nfs/dbraw/zinc/05/76/36/1407057636.db2.gz CIXOQFSMMZZDOA-QGZVFWFLSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)Cc1cc(C)ccc1F)O2 ZINC001755057382 1407064737 /nfs/dbraw/zinc/06/47/37/1407064737.db2.gz VSCRHUNGKHSMAQ-MRXNPFEDSA-N 1 2 332.419 2.212 20 30 EEEDLO C=CCCOCC(=O)N[C@@H](C)C1C[NH+](Cc2noc3c2CCCC3)C1 ZINC001755392573 1407400093 /nfs/dbraw/zinc/40/00/93/1407400093.db2.gz WCVBBFWLLRBHPE-AWEZNQCLSA-N 1 2 347.459 2.083 20 30 EEEDLO Cc1cnc(C[N@@H+]2C[C@H](NC(=O)CSCC#N)C(C)(C)C2)s1 ZINC001755405801 1407413500 /nfs/dbraw/zinc/41/35/00/1407413500.db2.gz MOMZZCGTSWDSOT-LBPRGKRZSA-N 1 2 338.502 2.035 20 30 EEEDLO Cc1cnc(C[N@H+]2C[C@H](NC(=O)CSCC#N)C(C)(C)C2)s1 ZINC001755405801 1407413505 /nfs/dbraw/zinc/41/35/05/1407413505.db2.gz MOMZZCGTSWDSOT-LBPRGKRZSA-N 1 2 338.502 2.035 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCCC[N@H+](C)[C@H](C)c1nnnn1C1CC1 ZINC001752038353 1406179744 /nfs/dbraw/zinc/17/97/44/1406179744.db2.gz FNFZDHMYMRNYOW-CYBMUJFWSA-N 1 2 334.468 2.109 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCCC[N@@H+](C)[C@H](C)c1nnnn1C1CC1 ZINC001752038353 1406179736 /nfs/dbraw/zinc/17/97/36/1406179736.db2.gz FNFZDHMYMRNYOW-CYBMUJFWSA-N 1 2 334.468 2.109 20 30 EEEDLO CC(C)C#CC(=O)N1CC[C@@H]([NH2+]Cc2nc(CC(C)C)no2)[C@H]1C ZINC001755653206 1407706179 /nfs/dbraw/zinc/70/61/79/1407706179.db2.gz FXHDXDPVOSGCQJ-HUUCEWRRSA-N 1 2 332.448 2.007 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([NH2+]Cc2nnc(CC)o2)[C@H]1C ZINC001755652986 1407706284 /nfs/dbraw/zinc/70/62/84/1407706284.db2.gz AUKABTAIEMPSAW-UKRRQHHQSA-N 1 2 332.448 2.479 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NCC1=CC[N@H+](Cc2ccncc2Cl)CC1 ZINC001755886464 1407947544 /nfs/dbraw/zinc/94/75/44/1407947544.db2.gz ITCPBSHTMSNOSY-AWEZNQCLSA-N 1 2 347.846 2.022 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NCC1=CC[N@@H+](Cc2ccncc2Cl)CC1 ZINC001755886464 1407947554 /nfs/dbraw/zinc/94/75/54/1407947554.db2.gz ITCPBSHTMSNOSY-AWEZNQCLSA-N 1 2 347.846 2.022 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC1CC(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001755940285 1408015321 /nfs/dbraw/zinc/01/53/21/1408015321.db2.gz UKBQPNDMXKFZMK-UHFFFAOYSA-N 1 2 346.475 2.277 20 30 EEEDLO C=CCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001755953436 1408024987 /nfs/dbraw/zinc/02/49/87/1408024987.db2.gz CLHJCTSGARSWGP-LSDHHAIUSA-N 1 2 342.443 2.161 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001756040759 1408100233 /nfs/dbraw/zinc/10/02/33/1408100233.db2.gz TYQACKHSLHEDAE-GJZGRUSLSA-N 1 2 346.475 2.011 20 30 EEEDLO C=CCCC(=O)N1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001756584208 1409104613 /nfs/dbraw/zinc/10/46/13/1409104613.db2.gz RDNCXVGXJHBFAS-UONOGXRCSA-N 1 2 326.400 2.020 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001757288555 1409625313 /nfs/dbraw/zinc/62/53/13/1409625313.db2.gz OCERKKSFKLXCQQ-GJZGRUSLSA-N 1 2 332.448 2.106 20 30 EEEDLO Cc1nc(N2CCCC[C@H](NC(=O)[C@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001102855933 1410720031 /nfs/dbraw/zinc/72/00/31/1410720031.db2.gz JQMZMWCYROOZDY-HIFRSBDPSA-N 1 2 341.459 2.299 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001104163194 1410798433 /nfs/dbraw/zinc/79/84/33/1410798433.db2.gz HMIQRBTVQGZLQO-CABCVRRESA-N 1 2 345.491 2.231 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001104163194 1410798436 /nfs/dbraw/zinc/79/84/36/1410798436.db2.gz HMIQRBTVQGZLQO-CABCVRRESA-N 1 2 345.491 2.231 20 30 EEEDLO CC(C)n1ccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)n1 ZINC001032019542 782470914 /nfs/dbraw/zinc/47/09/14/782470914.db2.gz FAUNFJRLKHHCRW-UHFFFAOYSA-N 1 2 343.456 2.259 20 30 EEEDLO C[C@H](CCCNc1ncc(C#N)cc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001114956952 757904470 /nfs/dbraw/zinc/90/44/70/757904470.db2.gz DRYQICOFJXYRDZ-GFCCVEGCSA-N 1 2 346.822 2.200 20 30 EEEDLO C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(F)C(F)(F)F)C1 ZINC001111756627 758011988 /nfs/dbraw/zinc/01/19/88/758011988.db2.gz XUGKNNKTOPFDPO-SCRDCRAPSA-N 1 2 338.345 2.060 20 30 EEEDLO C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(F)C(F)(F)F)C1 ZINC001111756627 758011995 /nfs/dbraw/zinc/01/19/95/758011995.db2.gz XUGKNNKTOPFDPO-SCRDCRAPSA-N 1 2 338.345 2.060 20 30 EEEDLO C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001111756627 758012006 /nfs/dbraw/zinc/01/20/06/758012006.db2.gz XUGKNNKTOPFDPO-SCRDCRAPSA-N 1 2 338.345 2.060 20 30 EEEDLO C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001111756627 758012017 /nfs/dbraw/zinc/01/20/17/758012017.db2.gz XUGKNNKTOPFDPO-SCRDCRAPSA-N 1 2 338.345 2.060 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3coc(-c4ccccc4)n3)[C@H]2C1 ZINC001083250964 760734519 /nfs/dbraw/zinc/73/45/19/760734519.db2.gz UCTWFMGNFYSJFS-DLBZAZTESA-N 1 2 339.395 2.053 20 30 EEEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3coc(-c4ccccc4)n3)[C@H]2C1 ZINC001083250964 760734525 /nfs/dbraw/zinc/73/45/25/760734525.db2.gz UCTWFMGNFYSJFS-DLBZAZTESA-N 1 2 339.395 2.053 20 30 EEEDLO Cc1cc(NC[C@H](C)N(C)C(=O)c2cc(C#N)c[nH]2)nc(C2CC2)[nH+]1 ZINC001104519815 761252797 /nfs/dbraw/zinc/25/27/97/761252797.db2.gz OSSSIXJUJMTINO-LBPRGKRZSA-N 1 2 338.415 2.435 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)c3n[nH]c4ccccc43)C(C)(C)[C@H]21 ZINC001087316086 761606939 /nfs/dbraw/zinc/60/69/39/761606939.db2.gz MLAWJEZBUUMXBA-JLSDUUJJSA-N 1 2 336.439 2.415 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3n[nH]c4ccccc43)C(C)(C)[C@H]21 ZINC001087316086 761606941 /nfs/dbraw/zinc/60/69/41/761606941.db2.gz MLAWJEZBUUMXBA-JLSDUUJJSA-N 1 2 336.439 2.415 20 30 EEEDLO C[C@@H](CNc1ncc(C#N)cc1Cl)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001104553735 761844755 /nfs/dbraw/zinc/84/47/55/761844755.db2.gz POMKPVFKTXMAFX-NSHDSACASA-N 1 2 346.822 2.221 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N(C)[C@@H](C)CNc2ccc(C#N)cn2)c[nH+]1 ZINC001104864443 765454614 /nfs/dbraw/zinc/45/46/14/765454614.db2.gz IMVOPMOPEOWVCW-AWEZNQCLSA-N 1 2 340.431 2.152 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N(C)[C@H](C)CNc2ncccc2C#N)c[nH+]1 ZINC001104864738 765455791 /nfs/dbraw/zinc/45/57/91/765455791.db2.gz PQVWJUFJBJQNJE-CQSZACIVSA-N 1 2 340.431 2.152 20 30 EEEDLO C[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1CCNCC#N ZINC001104865215 765456671 /nfs/dbraw/zinc/45/66/71/765456671.db2.gz KJXXTAZYLUNNSX-NVXWUHKLSA-N 1 2 337.427 2.084 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H]([C@@H](C)Nc2[nH+]cnc3c2cnn3C)C1 ZINC001105078688 769006297 /nfs/dbraw/zinc/00/62/97/769006297.db2.gz JNRQKFWNWRICHJ-ZIAGYGMSSA-N 1 2 342.447 2.369 20 30 EEEDLO Cc1occc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031538432 769464682 /nfs/dbraw/zinc/46/46/82/769464682.db2.gz QVKVDGNWJHPWIF-UHFFFAOYSA-N 1 2 327.359 2.461 20 30 EEEDLO CC(C)[C@@H](CNC(=O)c1cccc2[nH+]ccn21)Nc1ncccc1C#N ZINC001105250892 769469312 /nfs/dbraw/zinc/46/93/12/769469312.db2.gz XZDNFNRESFCNQB-OAHLLOKOSA-N 1 2 348.410 2.467 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)c3ccnc(F)c3)C2)c1 ZINC001031574622 769790635 /nfs/dbraw/zinc/79/06/35/769790635.db2.gz LLORARKIBJLAKZ-UHFFFAOYSA-N 1 2 342.349 2.093 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CN(c2cc[nH+]c(C)n2)CCCO1 ZINC001089551625 770287757 /nfs/dbraw/zinc/28/77/57/770287757.db2.gz IASNQJLKEIQLKY-HNNXBMFYSA-N 1 2 332.448 2.099 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C)s3)CC[C@@H]2C1 ZINC001088066305 782843274 /nfs/dbraw/zinc/84/32/74/782843274.db2.gz FIIOLYSQMCFZKA-KGLIPLIRSA-N 1 2 334.489 2.339 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C)s3)CC[C@@H]2C1 ZINC001088066305 782843284 /nfs/dbraw/zinc/84/32/84/782843284.db2.gz FIIOLYSQMCFZKA-KGLIPLIRSA-N 1 2 334.489 2.339 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC1(F)F ZINC001027873991 773827504 /nfs/dbraw/zinc/82/75/04/773827504.db2.gz KAGMNVHGVRBEEE-LSDHHAIUSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC1(F)F ZINC001027873991 773827507 /nfs/dbraw/zinc/82/75/07/773827507.db2.gz KAGMNVHGVRBEEE-LSDHHAIUSA-N 1 2 337.345 2.433 20 30 EEEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1C(N)=O)[C@@H]1CCc2ccccc21 ZINC000067966076 774068345 /nfs/dbraw/zinc/06/83/45/774068345.db2.gz NHSUCGUSOJNHPB-LJQANCHMSA-N 1 2 347.418 2.347 20 30 EEEDLO C#CC[N@H+](CC(=O)Nc1ccccc1C(N)=O)[C@@H]1CCc2ccccc21 ZINC000067966076 774068354 /nfs/dbraw/zinc/06/83/54/774068354.db2.gz NHSUCGUSOJNHPB-LJQANCHMSA-N 1 2 347.418 2.347 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1coc(C)n1 ZINC001027891043 774068809 /nfs/dbraw/zinc/06/88/09/774068809.db2.gz OYPYLGHURQKPSZ-ZACQAIPSSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1coc(C)n1 ZINC001027891043 774068815 /nfs/dbraw/zinc/06/88/15/774068815.db2.gz OYPYLGHURQKPSZ-ZACQAIPSSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc2c1OCCO2 ZINC001027919301 774409457 /nfs/dbraw/zinc/40/94/57/774409457.db2.gz WRFDEQCARLITSR-ZDUSSCGKSA-N 1 2 336.819 2.405 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc2c1OCCO2 ZINC001027919301 774409460 /nfs/dbraw/zinc/40/94/60/774409460.db2.gz WRFDEQCARLITSR-ZDUSSCGKSA-N 1 2 336.819 2.405 20 30 EEEDLO C=CCCC(=O)NCCN(CCOC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001126279979 774511327 /nfs/dbraw/zinc/51/13/27/774511327.db2.gz GINOWTNKMWURGB-UHFFFAOYSA-N 1 2 332.448 2.198 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@H+]1Cc1snnc1C ZINC001027934886 774646225 /nfs/dbraw/zinc/64/62/25/774646225.db2.gz BBNIVSLUKDBQEH-CQSZACIVSA-N 1 2 345.472 2.228 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1snnc1C ZINC001027934886 774646229 /nfs/dbraw/zinc/64/62/29/774646229.db2.gz BBNIVSLUKDBQEH-CQSZACIVSA-N 1 2 345.472 2.228 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)c1ncccn1 ZINC001027936523 774695042 /nfs/dbraw/zinc/69/50/42/774695042.db2.gz JJIWUEYKMKZABG-JKSUJKDBSA-N 1 2 339.443 2.420 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)c1ncccn1 ZINC001027936523 774695046 /nfs/dbraw/zinc/69/50/46/774695046.db2.gz JJIWUEYKMKZABG-JKSUJKDBSA-N 1 2 339.443 2.420 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)CCCN(C)c1[nH+]cnc2c1cnn2C ZINC001112184577 783206088 /nfs/dbraw/zinc/20/60/88/783206088.db2.gz UQNGVQZZERMYTQ-UHFFFAOYSA-N 1 2 344.463 2.250 20 30 EEEDLO Cc1cnc(C(=O)N2CCC[N@H+](Cc3ccccc3C#N)CC2)cn1 ZINC000980652192 775076830 /nfs/dbraw/zinc/07/68/30/775076830.db2.gz BOTKJPUPLULKQH-UHFFFAOYSA-N 1 2 335.411 2.005 20 30 EEEDLO Cc1cnc(C(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)cn1 ZINC000980652192 775076838 /nfs/dbraw/zinc/07/68/38/775076838.db2.gz BOTKJPUPLULKQH-UHFFFAOYSA-N 1 2 335.411 2.005 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC001027968933 775390671 /nfs/dbraw/zinc/39/06/71/775390671.db2.gz BRJPCFKLWCCVMJ-CABCVRRESA-N 1 2 336.867 2.087 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC001027968933 775390685 /nfs/dbraw/zinc/39/06/85/775390685.db2.gz BRJPCFKLWCCVMJ-CABCVRRESA-N 1 2 336.867 2.087 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@@H]3CCCO3)CC2)c(F)c1 ZINC000980737728 775403011 /nfs/dbraw/zinc/40/30/11/775403011.db2.gz MLTYPKTUNWHHTN-KRWDZBQOSA-N 1 2 345.418 2.301 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@@H]3CCCO3)CC2)c(F)c1 ZINC000980737728 775403015 /nfs/dbraw/zinc/40/30/15/775403015.db2.gz MLTYPKTUNWHHTN-KRWDZBQOSA-N 1 2 345.418 2.301 20 30 EEEDLO C#CCCCCC(=O)NCCN(CCOC)c1nc(C)[nH+]c(C)c1C ZINC001126292768 775989022 /nfs/dbraw/zinc/98/90/22/775989022.db2.gz FFOKLSDKSDAGND-UHFFFAOYSA-N 1 2 346.475 2.164 20 30 EEEDLO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)cnn1 ZINC000981054749 776408942 /nfs/dbraw/zinc/40/89/42/776408942.db2.gz ODIIOHONVGMXJZ-UHFFFAOYSA-N 1 2 341.440 2.066 20 30 EEEDLO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)cnn1 ZINC000981054749 776408943 /nfs/dbraw/zinc/40/89/43/776408943.db2.gz ODIIOHONVGMXJZ-UHFFFAOYSA-N 1 2 341.440 2.066 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[N@@H+](Cc2cc(C)ncn2)CC1 ZINC000981336795 777195210 /nfs/dbraw/zinc/19/52/10/777195210.db2.gz AROXKHFZYOOQQP-UHFFFAOYSA-N 1 2 339.443 2.121 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[N@H+](Cc2cc(C)ncn2)CC1 ZINC000981336795 777195218 /nfs/dbraw/zinc/19/52/18/777195218.db2.gz AROXKHFZYOOQQP-UHFFFAOYSA-N 1 2 339.443 2.121 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COc2ccc(Cl)cc21 ZINC001032518148 790519472 /nfs/dbraw/zinc/51/94/72/790519472.db2.gz CTICZFOCFQAZCC-OFQRWUPVSA-N 1 2 330.815 2.124 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COc2ccc(Cl)cc21 ZINC001032518148 790519485 /nfs/dbraw/zinc/51/94/85/790519485.db2.gz CTICZFOCFQAZCC-OFQRWUPVSA-N 1 2 330.815 2.124 20 30 EEEDLO CO[C@@H]1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000981486885 777502203 /nfs/dbraw/zinc/50/22/03/777502203.db2.gz PBNRBRQXXOJMLU-RTBURBONSA-N 1 2 341.455 2.408 20 30 EEEDLO CO[C@@H]1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000981486885 777502212 /nfs/dbraw/zinc/50/22/12/777502212.db2.gz PBNRBRQXXOJMLU-RTBURBONSA-N 1 2 341.455 2.408 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3F)CC2)CO1 ZINC000981490276 777510006 /nfs/dbraw/zinc/51/00/06/777510006.db2.gz JXWKEZQJTHVKQQ-RHSMWYFYSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3F)CC2)CO1 ZINC000981490276 777510014 /nfs/dbraw/zinc/51/00/14/777510014.db2.gz JXWKEZQJTHVKQQ-RHSMWYFYSA-N 1 2 345.418 2.157 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)c3cncc4nc[nH]c43)C2)C1 ZINC000981782761 778204186 /nfs/dbraw/zinc/20/41/86/778204186.db2.gz NKPXTASMBFGGBY-UHFFFAOYSA-N 1 2 345.834 2.248 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)c3cncc4nc[nH]c43)C2)C1 ZINC000981782761 778204195 /nfs/dbraw/zinc/20/41/95/778204195.db2.gz NKPXTASMBFGGBY-UHFFFAOYSA-N 1 2 345.834 2.248 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@H+](CC(=O)N2CCC(C)CC2)CC1 ZINC000981873564 778446848 /nfs/dbraw/zinc/44/68/48/778446848.db2.gz OXBCTMZJCRNXAF-HXUWFJFHSA-N 1 2 349.519 2.382 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](CC(=O)N2CCC(C)CC2)CC1 ZINC000981873564 778446853 /nfs/dbraw/zinc/44/68/53/778446853.db2.gz OXBCTMZJCRNXAF-HXUWFJFHSA-N 1 2 349.519 2.382 20 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/nfs/dbraw/zinc/83/52/62/778835262.db2.gz RTECUJQWZJBGTF-VYDXJSESSA-N 1 2 333.432 2.045 20 30 EEEDLO CC#CC[N@@H+]1CCCN(C(=O)c2c(C)noc2C(F)(F)F)CC1 ZINC000982043120 778988004 /nfs/dbraw/zinc/98/80/04/778988004.db2.gz BINAKGOVRQXDQO-UHFFFAOYSA-N 1 2 329.322 2.173 20 30 EEEDLO CC#CC[N@H+]1CCCN(C(=O)c2c(C)noc2C(F)(F)F)CC1 ZINC000982043120 778988005 /nfs/dbraw/zinc/98/80/05/778988005.db2.gz BINAKGOVRQXDQO-UHFFFAOYSA-N 1 2 329.322 2.173 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)cn2)CC1 ZINC000982174305 779229035 /nfs/dbraw/zinc/22/90/35/779229035.db2.gz ZTWGFQKMPNJGQA-ROUUACIJSA-N 1 2 347.434 2.236 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)cn2)CC1 ZINC000982174305 779229042 /nfs/dbraw/zinc/22/90/42/779229042.db2.gz ZTWGFQKMPNJGQA-ROUUACIJSA-N 1 2 347.434 2.236 20 30 EEEDLO Cc1cnoc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001028238578 779515178 /nfs/dbraw/zinc/51/51/78/779515178.db2.gz QLURYMCIXFGTPK-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cnoc1C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001028238578 779515184 /nfs/dbraw/zinc/51/51/84/779515184.db2.gz QLURYMCIXFGTPK-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)cn1 ZINC001028260266 779740257 /nfs/dbraw/zinc/74/02/57/779740257.db2.gz VPNMWCHIONSWHU-CQSZACIVSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)cn1 ZINC001028260266 779740264 /nfs/dbraw/zinc/74/02/64/779740264.db2.gz VPNMWCHIONSWHU-CQSZACIVSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@]2(C)C[N@@H+](Cc3cnn(C)n3)C[C@]2(C)C1 ZINC000982429129 780107650 /nfs/dbraw/zinc/10/76/50/780107650.db2.gz NUAYYJASNPDKIA-KDURUIRLSA-N 1 2 345.491 2.088 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@]2(C)C[N@H+](Cc3cnn(C)n3)C[C@]2(C)C1 ZINC000982429129 780107656 /nfs/dbraw/zinc/10/76/56/780107656.db2.gz NUAYYJASNPDKIA-KDURUIRLSA-N 1 2 345.491 2.088 20 30 EEEDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CCN(CC#N)CC1 ZINC000997698414 790773551 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EEEDLO C=C1CC(C)(C(=O)NCCN(CCOC)c2nc(C)[nH+]c(C)c2C)C1 ZINC001126507409 781556939 /nfs/dbraw/zinc/55/69/39/781556939.db2.gz FJJXKGXZHBFNDP-UHFFFAOYSA-N 1 2 346.475 2.327 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC001131894690 783420668 /nfs/dbraw/zinc/42/06/68/783420668.db2.gz BHZCPRRRFLYTEC-ZBFHGGJFSA-N 1 2 345.443 2.266 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC001131894690 783420671 /nfs/dbraw/zinc/42/06/71/783420671.db2.gz BHZCPRRRFLYTEC-ZBFHGGJFSA-N 1 2 345.443 2.266 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001067514215 790941503 /nfs/dbraw/zinc/94/15/03/790941503.db2.gz IAKYHUBQEROLCZ-OAHLLOKOSA-N 1 2 348.491 2.498 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001067514215 790941510 /nfs/dbraw/zinc/94/15/10/790941510.db2.gz IAKYHUBQEROLCZ-OAHLLOKOSA-N 1 2 348.491 2.498 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001033307866 783487007 /nfs/dbraw/zinc/48/70/07/783487007.db2.gz FEJMHSLWVANJRR-AWEZNQCLSA-N 1 2 347.850 2.245 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001033307866 783487020 /nfs/dbraw/zinc/48/70/20/783487020.db2.gz FEJMHSLWVANJRR-AWEZNQCLSA-N 1 2 347.850 2.245 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)sc2C)C1 ZINC001131946523 783510124 /nfs/dbraw/zinc/51/01/24/783510124.db2.gz KMNSTDHVWWMVEQ-IUODEOHRSA-N 1 2 337.489 2.432 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(C)sc2C)C1 ZINC001131946523 783510132 /nfs/dbraw/zinc/51/01/32/783510132.db2.gz KMNSTDHVWWMVEQ-IUODEOHRSA-N 1 2 337.489 2.432 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ncoc2C(C)C)C1 ZINC001131947702 783513041 /nfs/dbraw/zinc/51/30/41/783513041.db2.gz XVGMHSAIPDOZEV-GJZGRUSLSA-N 1 2 335.448 2.470 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001131947702 783513047 /nfs/dbraw/zinc/51/30/47/783513047.db2.gz XVGMHSAIPDOZEV-GJZGRUSLSA-N 1 2 335.448 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784739891 /nfs/dbraw/zinc/73/98/91/784739891.db2.gz IXMXCGPNGGVHHE-KRWDZBQOSA-N 1 2 327.428 2.185 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001035563642 784739895 /nfs/dbraw/zinc/73/98/95/784739895.db2.gz IXMXCGPNGGVHHE-KRWDZBQOSA-N 1 2 327.428 2.185 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC001035564601 784742286 /nfs/dbraw/zinc/74/22/86/784742286.db2.gz XTKQGHPZOWVXJU-OAHLLOKOSA-N 1 2 327.428 2.401 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2[nH]c3ccc(C)cc3c2C)C1 ZINC001035564601 784742295 /nfs/dbraw/zinc/74/22/95/784742295.db2.gz XTKQGHPZOWVXJU-OAHLLOKOSA-N 1 2 327.428 2.401 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C(F)(F)F)ccn2)C1 ZINC001035564365 784742362 /nfs/dbraw/zinc/74/23/62/784742362.db2.gz PCUOTKXPYUUYSV-CYBMUJFWSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(C(F)(F)F)ccn2)C1 ZINC001035564365 784742372 /nfs/dbraw/zinc/74/23/72/784742372.db2.gz PCUOTKXPYUUYSV-CYBMUJFWSA-N 1 2 343.349 2.107 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(F)c(F)cc2Cl)C1 ZINC001035602190 784761811 /nfs/dbraw/zinc/76/18/11/784761811.db2.gz YNPGFZSYEKOGFH-NSHDSACASA-N 1 2 342.773 2.072 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(F)c(F)cc2Cl)C1 ZINC001035602190 784761817 /nfs/dbraw/zinc/76/18/17/784761817.db2.gz YNPGFZSYEKOGFH-NSHDSACASA-N 1 2 342.773 2.072 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2csc3c2CC[C@@H](C)C3)C1 ZINC001035602341 784763732 /nfs/dbraw/zinc/76/37/32/784763732.db2.gz ZRIIJCZFSOXMJS-HUUCEWRRSA-N 1 2 346.496 2.327 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2csc3c2CC[C@@H](C)C3)C1 ZINC001035602341 784763734 /nfs/dbraw/zinc/76/37/34/784763734.db2.gz ZRIIJCZFSOXMJS-HUUCEWRRSA-N 1 2 346.496 2.327 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001035619083 784808853 /nfs/dbraw/zinc/80/88/53/784808853.db2.gz JUQKRPOTEYRCOG-CQSZACIVSA-N 1 2 343.427 2.183 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001035619083 784808859 /nfs/dbraw/zinc/80/88/59/784808859.db2.gz JUQKRPOTEYRCOG-CQSZACIVSA-N 1 2 343.427 2.183 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001035617415 784857392 /nfs/dbraw/zinc/85/73/92/784857392.db2.gz WYNVPFREJRSCHZ-HNNXBMFYSA-N 1 2 327.428 2.483 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001035617415 784857396 /nfs/dbraw/zinc/85/73/96/784857396.db2.gz WYNVPFREJRSCHZ-HNNXBMFYSA-N 1 2 327.428 2.483 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cccc3ncnn31)CC2 ZINC001035744064 785009125 /nfs/dbraw/zinc/00/91/25/785009125.db2.gz WRVYCVTWSHYZAI-UHFFFAOYSA-N 1 2 345.834 2.020 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](OC)C1CCC1)CC2 ZINC001035758568 785068475 /nfs/dbraw/zinc/06/84/75/785068475.db2.gz FNDSOVLFLLOTCS-HNNXBMFYSA-N 1 2 326.868 2.478 20 30 EEEDLO N#Cc1ccc(OC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c(F)c1 ZINC000908161256 785126924 /nfs/dbraw/zinc/12/69/24/785126924.db2.gz GSYDZMZEELADOF-UHFFFAOYSA-N 1 2 328.347 2.033 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N(C(C)=O)C2CC2)cc1 ZINC000819013961 785381772 /nfs/dbraw/zinc/38/17/72/785381772.db2.gz COYUYDYZDYCZTD-SFHVURJKSA-N 1 2 325.412 2.238 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N(C(C)=O)C2CC2)cc1 ZINC000819013961 785381781 /nfs/dbraw/zinc/38/17/81/785381781.db2.gz COYUYDYZDYCZTD-SFHVURJKSA-N 1 2 325.412 2.238 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(OCC2CCOCC2)cc1 ZINC000819445021 785547761 /nfs/dbraw/zinc/54/77/61/785547761.db2.gz MFGJWGVHALHBNW-GOSISDBHSA-N 1 2 347.459 2.110 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(OCC2CCOCC2)cc1 ZINC000819445021 785547773 /nfs/dbraw/zinc/54/77/73/785547773.db2.gz MFGJWGVHALHBNW-GOSISDBHSA-N 1 2 347.459 2.110 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c(F)ccc(F)c2F)[C@@H](O)C1 ZINC001090532960 785925187 /nfs/dbraw/zinc/92/51/87/785925187.db2.gz UVWWAZISFGFKSJ-NEPJUHHUSA-N 1 2 348.752 2.021 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c(F)ccc(F)c2F)[C@@H](O)C1 ZINC001090532960 785925191 /nfs/dbraw/zinc/92/51/91/785925191.db2.gz UVWWAZISFGFKSJ-NEPJUHHUSA-N 1 2 348.752 2.021 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](F)CC)C[C@@H]2n2ccnn2)CC1 ZINC001129238630 786097554 /nfs/dbraw/zinc/09/75/54/786097554.db2.gz FADQKLRRQLUVOB-XHSDSOJGSA-N 1 2 349.454 2.114 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](F)CC)C[C@@H]2n2ccnn2)CC1 ZINC001129238630 786097562 /nfs/dbraw/zinc/09/75/62/786097562.db2.gz FADQKLRRQLUVOB-XHSDSOJGSA-N 1 2 349.454 2.114 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@](C)(F)CCCC)nn2)C1 ZINC001107181565 786239685 /nfs/dbraw/zinc/23/96/85/786239685.db2.gz DEDANKRVDQQHRP-KRWDZBQOSA-N 1 2 337.443 2.246 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@]3(C)CCC[C@@H]3C)nn2)C1 ZINC001107205983 786412716 /nfs/dbraw/zinc/41/27/16/786412716.db2.gz HFIWQDMCIOVABQ-KSSFIOAISA-N 1 2 331.464 2.153 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](CCC)CC(C)C)nn2)C1 ZINC001107238716 786590465 /nfs/dbraw/zinc/59/04/65/786590465.db2.gz MNOBDFVKVGUHCS-HNNXBMFYSA-N 1 2 333.480 2.399 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)sc3C)C[C@@H]2O)C1 ZINC001090555108 786894512 /nfs/dbraw/zinc/89/45/12/786894512.db2.gz HDZRYFUHWJGRIP-HOCLYGCPSA-N 1 2 349.500 2.168 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)sc3C)C[C@@H]2O)C1 ZINC001090555108 786894518 /nfs/dbraw/zinc/89/45/18/786894518.db2.gz HDZRYFUHWJGRIP-HOCLYGCPSA-N 1 2 349.500 2.168 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NC/C=C/CNc3ncccc3C#N)ccn12 ZINC001107361062 786992147 /nfs/dbraw/zinc/99/21/47/786992147.db2.gz ANCFEIITKUDHOT-NSCUHMNNSA-N 1 2 346.394 2.308 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)cc(F)c2)[C@@H](O)C1 ZINC001090587313 787087207 /nfs/dbraw/zinc/08/72/07/787087207.db2.gz WZRFYUNFAQKYTP-CABCVRRESA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)cc(F)c2)[C@@H](O)C1 ZINC001090587313 787087215 /nfs/dbraw/zinc/08/72/15/787087215.db2.gz WZRFYUNFAQKYTP-CABCVRRESA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)ccc2F)[C@@H](O)C1 ZINC001090595114 787174739 /nfs/dbraw/zinc/17/47/39/787174739.db2.gz NSISGRAPBRNKJU-GJZGRUSLSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)ccc2F)[C@@H](O)C1 ZINC001090595114 787174742 /nfs/dbraw/zinc/17/47/42/787174742.db2.gz NSISGRAPBRNKJU-GJZGRUSLSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnc3ccccc3c2)[C@@H](O)C1 ZINC001090598741 787187827 /nfs/dbraw/zinc/18/78/27/787187827.db2.gz BBEMLUKAVVISRL-SJORKVTESA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnc3ccccc3c2)[C@@H](O)C1 ZINC001090598741 787187834 /nfs/dbraw/zinc/18/78/34/787187834.db2.gz BBEMLUKAVVISRL-SJORKVTESA-N 1 2 345.830 2.152 20 30 EEEDLO Cc1cc(N(C)C[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001062095944 787376603 /nfs/dbraw/zinc/37/66/03/787376603.db2.gz DMQVTYCRSXKHAZ-DZGCQCFKSA-N 1 2 329.448 2.353 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC/C=C\CNc1[nH+]cnc2c1cnn2C ZINC001107495833 787417004 /nfs/dbraw/zinc/41/70/04/787417004.db2.gz NCQWSWPBKWWPNW-QWPQOLDESA-N 1 2 328.420 2.050 20 30 EEEDLO CC#CCCCC(=O)NC[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001062173506 787538383 /nfs/dbraw/zinc/53/83/83/787538383.db2.gz HRVMEUKTTPRXKK-MRXNPFEDSA-N 1 2 344.459 2.033 20 30 EEEDLO Cc1nsc(NC/C=C\CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1C#N ZINC001107549124 787600405 /nfs/dbraw/zinc/60/04/05/787600405.db2.gz GXPNEZGKQNZYAJ-DLRQAJBASA-N 1 2 344.444 2.009 20 30 EEEDLO Cc1nsc(NC/C=C\CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1C#N ZINC001107549124 787600411 /nfs/dbraw/zinc/60/04/11/787600411.db2.gz GXPNEZGKQNZYAJ-DLRQAJBASA-N 1 2 344.444 2.009 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001062316565 787879318 /nfs/dbraw/zinc/87/93/18/787879318.db2.gz YZQYVGODJCANQI-IAGOWNOFSA-N 1 2 346.475 2.373 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2OCC)[C@@H](O)C1 ZINC001090772523 788186302 /nfs/dbraw/zinc/18/63/02/788186302.db2.gz YXRQYSMOYFVGHR-GJZGRUSLSA-N 1 2 338.835 2.003 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2OCC)[C@@H](O)C1 ZINC001090772523 788186308 /nfs/dbraw/zinc/18/63/08/788186308.db2.gz YXRQYSMOYFVGHR-GJZGRUSLSA-N 1 2 338.835 2.003 20 30 EEEDLO COCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001098832214 788245955 /nfs/dbraw/zinc/24/59/55/788245955.db2.gz CQPRLLBNBHJBLC-KRWDZBQOSA-N 1 2 347.434 2.451 20 30 EEEDLO COCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001098832214 788245960 /nfs/dbraw/zinc/24/59/60/788245960.db2.gz CQPRLLBNBHJBLC-KRWDZBQOSA-N 1 2 347.434 2.451 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)CCC3)[C@@H](O)C1 ZINC001090793074 788293450 /nfs/dbraw/zinc/29/34/50/788293450.db2.gz HPKBMUCCLOOOTP-SJORKVTESA-N 1 2 334.847 2.093 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)CCC3)[C@@H](O)C1 ZINC001090793074 788293453 /nfs/dbraw/zinc/29/34/53/788293453.db2.gz HPKBMUCCLOOOTP-SJORKVTESA-N 1 2 334.847 2.093 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OC)nn1 ZINC001109681602 805870202 /nfs/dbraw/zinc/87/02/02/805870202.db2.gz ASFIORQCFKDSLS-PASDCYSWSA-N 1 2 344.459 2.309 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(OC)nn1 ZINC001109681602 805870210 /nfs/dbraw/zinc/87/02/10/805870210.db2.gz ASFIORQCFKDSLS-PASDCYSWSA-N 1 2 344.459 2.309 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CCC(CC2)CC3)[C@H](O)C1 ZINC001090830417 788488612 /nfs/dbraw/zinc/48/86/12/788488612.db2.gz MIVIFWAJPBFNAU-KRIMKBQASA-N 1 2 326.868 2.261 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CCC(CC2)CC3)[C@H](O)C1 ZINC001090830417 788488619 /nfs/dbraw/zinc/48/86/19/788488619.db2.gz MIVIFWAJPBFNAU-KRIMKBQASA-N 1 2 326.868 2.261 20 30 EEEDLO C=CCCC(=O)NC[C@@]1(C)C[N@H+](Cc2ccc3c(c2)COC3)CCO1 ZINC001107802256 788501907 /nfs/dbraw/zinc/50/19/07/788501907.db2.gz NAFWKIMLRBSAAO-FQEVSTJZSA-N 1 2 344.455 2.390 20 30 EEEDLO C=CCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc3c(c2)COC3)CCO1 ZINC001107802256 788501912 /nfs/dbraw/zinc/50/19/12/788501912.db2.gz NAFWKIMLRBSAAO-FQEVSTJZSA-N 1 2 344.455 2.390 20 30 EEEDLO C=CCCC(=O)N1CC[C@H](CNc2nc(N(C)C)nc(C)[nH+]2)[C@H](C)C1 ZINC001090264335 788534780 /nfs/dbraw/zinc/53/47/80/788534780.db2.gz ZCKJCRUXHHKVFB-UKRRQHHQSA-N 1 2 346.479 2.109 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)NCCC2CCCCC2)cc1 ZINC000151165318 788682132 /nfs/dbraw/zinc/68/21/32/788682132.db2.gz KVLJDKAWXCVCRP-UHFFFAOYSA-N 1 2 333.432 2.419 20 30 EEEDLO C#CCCCCC(=O)NC[C@]1(C)C[N@H+](Cc2cnccc2C)CCO1 ZINC001107883532 789050528 /nfs/dbraw/zinc/05/05/28/789050528.db2.gz WDJPMCVVAPIJRG-HXUWFJFHSA-N 1 2 343.471 2.291 20 30 EEEDLO C#CCCCCC(=O)NC[C@]1(C)C[N@@H+](Cc2cnccc2C)CCO1 ZINC001107883532 789050535 /nfs/dbraw/zinc/05/05/35/789050535.db2.gz WDJPMCVVAPIJRG-HXUWFJFHSA-N 1 2 343.471 2.291 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)C3(C4CC4)CC3)CC2)C1 ZINC001105713558 789138738 /nfs/dbraw/zinc/13/87/38/789138738.db2.gz KIZUDWUKUZDKRF-UHFFFAOYSA-N 1 2 348.487 2.071 20 30 EEEDLO C=CCOCC(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001090956425 789158509 /nfs/dbraw/zinc/15/85/09/789158509.db2.gz UQDYOCUAPIKTGH-UKRRQHHQSA-N 1 2 332.448 2.370 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC(OC2C[NH+](CCOCC)C2)CC1 ZINC001105719891 789237562 /nfs/dbraw/zinc/23/75/62/789237562.db2.gz QJRUCXBZQSCJJU-JKSUJKDBSA-N 1 2 338.492 2.173 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCC(OC2C[NH+](CCOCC)C2)CC1 ZINC001105720904 789243612 /nfs/dbraw/zinc/24/36/12/789243612.db2.gz HVORTTLRZNWVLD-INIZCTEOSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCO[C@@H](C)CC(C)C)C1 ZINC001107938249 789407467 /nfs/dbraw/zinc/40/74/67/789407467.db2.gz MCAODWCEJVYTIC-WMZOPIPTSA-N 1 2 326.481 2.221 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCO[C@@H](C)CC(C)C)C1 ZINC001107938249 789407475 /nfs/dbraw/zinc/40/74/75/789407475.db2.gz MCAODWCEJVYTIC-WMZOPIPTSA-N 1 2 326.481 2.221 20 30 EEEDLO C=C1CCC(C(=O)N[C@H](C)C2CC[NH+](Cc3nncn3C)CC2)CC1 ZINC000997288978 789570139 /nfs/dbraw/zinc/57/01/39/789570139.db2.gz DUTDYECJXYLFEF-OAHLLOKOSA-N 1 2 345.491 2.278 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cn(C)nc1C)C2 ZINC001109799439 805989056 /nfs/dbraw/zinc/98/90/56/805989056.db2.gz YNQVKVQQFBVHNO-PMPSAXMXSA-N 1 2 336.867 2.135 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cn(C)nc1C)C2 ZINC001109799439 805989069 /nfs/dbraw/zinc/98/90/69/805989069.db2.gz YNQVKVQQFBVHNO-PMPSAXMXSA-N 1 2 336.867 2.135 20 30 EEEDLO COC(=O)[C@@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)c1cccc(C#N)c1 ZINC000845283755 789711010 /nfs/dbraw/zinc/71/10/10/789711010.db2.gz ZIYFHSZYYNKDSA-WBMJQRKESA-N 1 2 327.340 2.163 20 30 EEEDLO C=CC[C@H](C(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001105862425 789883767 /nfs/dbraw/zinc/88/37/67/789883767.db2.gz AKLZZHSKDLASOO-SJORKVTESA-N 1 2 340.427 2.034 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079045536 790006952 /nfs/dbraw/zinc/00/69/52/790006952.db2.gz HNGKPDLVJADHBH-HZPDHXFCSA-N 1 2 346.475 2.394 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCCC[C@H]1Nc1[nH+]cnc2c1cnn2C ZINC001091247795 790223095 /nfs/dbraw/zinc/22/30/95/790223095.db2.gz TZQQEVAGDRHLEW-ZIAGYGMSSA-N 1 2 328.420 2.169 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn3cccc(OC)c23)[C@H]1C ZINC001088925446 791562326 /nfs/dbraw/zinc/56/23/26/791562326.db2.gz ZLOLIYQHNVCZOX-OCCSQVGLSA-N 1 2 348.834 2.288 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn3cccc(OC)c23)[C@H]1C ZINC001088925446 791562331 /nfs/dbraw/zinc/56/23/31/791562331.db2.gz ZLOLIYQHNVCZOX-OCCSQVGLSA-N 1 2 348.834 2.288 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091609256 791615523 /nfs/dbraw/zinc/61/55/23/791615523.db2.gz KYMRJUORRIVQGE-UONOGXRCSA-N 1 2 342.447 2.416 20 30 EEEDLO Cc1nc(NCC[C@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001063828745 791796956 /nfs/dbraw/zinc/79/69/56/791796956.db2.gz FMOSSQPGRZGAQY-OAHLLOKOSA-N 1 2 338.415 2.482 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106081020 791843664 /nfs/dbraw/zinc/84/36/64/791843664.db2.gz VNPDGBILTGZVSH-KBXCAEBGSA-N 1 2 334.464 2.400 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106081022 791843955 /nfs/dbraw/zinc/84/39/55/791843955.db2.gz VNPDGBILTGZVSH-KSSFIOAISA-N 1 2 334.464 2.400 20 30 EEEDLO Cc1cc(C(N)=[NH+]OCC(=O)Nc2cccc(C#N)c2)ccc1F ZINC000063458078 791860188 /nfs/dbraw/zinc/86/01/88/791860188.db2.gz YDNANWVJTAXLPI-UHFFFAOYSA-N 1 2 326.331 2.281 20 30 EEEDLO CCN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CCCN(CC#N)CC1 ZINC000998114239 791993487 /nfs/dbraw/zinc/99/34/87/791993487.db2.gz FDQPEEISEUVHFX-CABCVRRESA-N 1 2 329.448 2.056 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nncn1C)C2 ZINC001148126448 792202326 /nfs/dbraw/zinc/20/23/26/792202326.db2.gz XRCJGACAFLKATD-HUUCEWRRSA-N 1 2 331.464 2.013 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nncn1C)C2 ZINC001148126448 792202338 /nfs/dbraw/zinc/20/23/38/792202338.db2.gz XRCJGACAFLKATD-HUUCEWRRSA-N 1 2 331.464 2.013 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCC1(NC(=O)CCc2[nH+]ccn2C)CCC1 ZINC001064109029 792424061 /nfs/dbraw/zinc/42/40/61/792424061.db2.gz HARFGZOBCORTFG-HNNXBMFYSA-N 1 2 346.475 2.110 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4n[nH]nc43)CCC[C@H]12 ZINC000992144192 792905702 /nfs/dbraw/zinc/90/57/02/792905702.db2.gz HDRYKSPMTMDSSM-RVSPLBMKSA-N 1 2 349.866 2.090 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4n[nH]nc43)CCC[C@H]12 ZINC000992144192 792905713 /nfs/dbraw/zinc/90/57/13/792905713.db2.gz HDRYKSPMTMDSSM-RVSPLBMKSA-N 1 2 349.866 2.090 20 30 EEEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](Cc2cn(C)nn2)CC3)CC1 ZINC000992150135 792933362 /nfs/dbraw/zinc/93/33/62/792933362.db2.gz HFZXCUZSVPNTCF-MJGOQNOKSA-N 1 2 343.475 2.175 20 30 EEEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](Cc2cn(C)nn2)CC3)CC1 ZINC000992150135 792933366 /nfs/dbraw/zinc/93/33/66/792933366.db2.gz HFZXCUZSVPNTCF-MJGOQNOKSA-N 1 2 343.475 2.175 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)N(c2[nH+]cnc3c2cnn3C)C1 ZINC001089162585 792960251 /nfs/dbraw/zinc/96/02/51/792960251.db2.gz QWKUHFHCYPPOHD-ZIAGYGMSSA-N 1 2 342.447 2.193 20 30 EEEDLO Cc1nc(N[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)ccc1C#N ZINC001098302332 793203767 /nfs/dbraw/zinc/20/37/67/793203767.db2.gz IZOJJDWGTRLJQF-STQMWFEESA-N 1 2 326.404 2.026 20 30 EEEDLO C=CCC1(C(=O)N(C)CCOCCN(C)c2cc[nH+]c(C)n2)CCC1 ZINC001091902179 793388153 /nfs/dbraw/zinc/38/81/53/793388153.db2.gz QESLVYRAPJDOPN-UHFFFAOYSA-N 1 2 346.475 2.443 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC(C)(C)C1)c1nccn12 ZINC001092392311 793890202 /nfs/dbraw/zinc/89/02/02/793890202.db2.gz FVZDEKIPCNGXRD-HOTGVXAUSA-N 1 2 340.471 2.305 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1csc(C)c1)c1nccn12 ZINC001092402880 793905047 /nfs/dbraw/zinc/90/50/47/793905047.db2.gz WRNJRYMVAVWJOH-AWEZNQCLSA-N 1 2 328.441 2.325 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1c[nH]cc1C1CC1)c1nccn12 ZINC001092406608 793912015 /nfs/dbraw/zinc/91/20/15/793912015.db2.gz XGXRAGHWXDFFJZ-INIZCTEOSA-N 1 2 337.427 2.160 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccccc1C)c1nccn12 ZINC001092410557 793959803 /nfs/dbraw/zinc/95/98/03/793959803.db2.gz MAGZJZPWNWHVJO-GOSISDBHSA-N 1 2 348.450 2.029 20 30 EEEDLO Cc1nsc(NC[C@@H]2CCCN2C(=O)Cc2[nH]c[nH+]c2C)c1C#N ZINC001064936566 793980120 /nfs/dbraw/zinc/98/01/20/793980120.db2.gz ZBFSUYFEYYXELC-LBPRGKRZSA-N 1 2 344.444 2.000 20 30 EEEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)CCCC(C)C)CC2 ZINC001128047745 794072149 /nfs/dbraw/zinc/07/21/49/794072149.db2.gz JFNRRXXSPAJQGV-MRXNPFEDSA-N 1 2 345.491 2.038 20 30 EEEDLO CCc1cc(N2CC[C@@]3(CNC(=O)[C@H](C)C#N)CCC[C@@H]23)nc(C)[nH+]1 ZINC001092686890 794234803 /nfs/dbraw/zinc/23/48/03/794234803.db2.gz JEHQHINZKDSLCM-VVFCZOMOSA-N 1 2 341.459 2.372 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001112338984 794258979 /nfs/dbraw/zinc/25/89/79/794258979.db2.gz YSHCFXFQTHKVIP-OCCSQVGLSA-N 1 2 342.447 2.224 20 30 EEEDLO Cc1nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)C)C3)c(C)c(C)[nH+]1 ZINC001092835243 794396009 /nfs/dbraw/zinc/39/60/09/794396009.db2.gz IMPSMPOAWNAMHZ-IKGGRYGDSA-N 1 2 326.444 2.287 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1CCCOC1 ZINC001079480412 794793035 /nfs/dbraw/zinc/79/30/35/794793035.db2.gz QMPVGQIHIWBNMR-QIIPPGSGSA-N 1 2 345.418 2.060 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1CCCOC1 ZINC001079480412 794793041 /nfs/dbraw/zinc/79/30/41/794793041.db2.gz QMPVGQIHIWBNMR-QIIPPGSGSA-N 1 2 345.418 2.060 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]Cc3nc(CC)no3)C2)cc1 ZINC000999856796 795014124 /nfs/dbraw/zinc/01/41/24/795014124.db2.gz NBUQFDMJJIIZAZ-MRXNPFEDSA-N 1 2 338.411 2.008 20 30 EEEDLO C=CCCC(=O)NC1CC2(C1)CC(Nc1[nH+]cnc3c1cnn3C)C2 ZINC001093425429 795220828 /nfs/dbraw/zinc/22/08/28/795220828.db2.gz YKINWBWPNSDIOZ-UHFFFAOYSA-N 1 2 340.431 2.169 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C(C)C)nc2)C1 ZINC001107993055 795245663 /nfs/dbraw/zinc/24/56/63/795245663.db2.gz HRBCCUJNZJVVAE-IBGZPJMESA-N 1 2 329.444 2.049 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(C(C)C)nc2)C1 ZINC001107993055 795245665 /nfs/dbraw/zinc/24/56/65/795245665.db2.gz HRBCCUJNZJVVAE-IBGZPJMESA-N 1 2 329.444 2.049 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C)nc2C)cn1 ZINC001032737706 795328809 /nfs/dbraw/zinc/32/88/09/795328809.db2.gz BGYPXIPOGNQHJA-PMACEKPBSA-N 1 2 346.434 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C)nc2C)cn1 ZINC001032737706 795328818 /nfs/dbraw/zinc/32/88/18/795328818.db2.gz BGYPXIPOGNQHJA-PMACEKPBSA-N 1 2 346.434 2.174 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccnn3[C@H](C)CC)CC2)C1 ZINC001093540051 795342911 /nfs/dbraw/zinc/34/29/11/795342911.db2.gz AXMBLPMARWJGFR-OAHLLOKOSA-N 1 2 346.475 2.346 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccnn3CC(C)C)CC2)C1 ZINC001093540802 795345435 /nfs/dbraw/zinc/34/54/35/795345435.db2.gz QKOQQSFNSLKUGV-UHFFFAOYSA-N 1 2 346.475 2.031 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001107999841 795384387 /nfs/dbraw/zinc/38/43/87/795384387.db2.gz IQAFHTSMHROLSD-IIBWNOEZSA-N 1 2 332.488 2.452 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001107999841 795384394 /nfs/dbraw/zinc/38/43/94/795384394.db2.gz IQAFHTSMHROLSD-IIBWNOEZSA-N 1 2 332.488 2.452 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCc3ccccc3)CC2)C1 ZINC001093594985 795388756 /nfs/dbraw/zinc/38/87/56/795388756.db2.gz DXSRHYKRNVUHNS-UHFFFAOYSA-N 1 2 328.456 2.497 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)c3c(C)noc3C)CC2)C1 ZINC001093582639 795395485 /nfs/dbraw/zinc/39/54/85/795395485.db2.gz IKDODBFRMAMDMU-CYBMUJFWSA-N 1 2 347.459 2.273 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)COc3ccccc3C)CC2)C1 ZINC001093595430 795435126 /nfs/dbraw/zinc/43/51/26/795435126.db2.gz DDHDCCJIVVKVLU-UHFFFAOYSA-N 1 2 344.455 2.252 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@H]3CCCOC3)CC2)C1 ZINC001093598501 795438216 /nfs/dbraw/zinc/43/82/16/795438216.db2.gz QSAXIFAVWVRXDK-MRXNPFEDSA-N 1 2 336.476 2.071 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)c1cnccn1 ZINC001032753037 795440937 /nfs/dbraw/zinc/44/09/37/795440937.db2.gz BGNXMLHBQCPRFY-SNRMKQJTSA-N 1 2 346.434 2.047 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)c1cnccn1 ZINC001032753037 795440942 /nfs/dbraw/zinc/44/09/42/795440942.db2.gz BGNXMLHBQCPRFY-SNRMKQJTSA-N 1 2 346.434 2.047 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC(N(CC)C(=O)CCCn2cc[nH+]c2)C1 ZINC001080027254 795504591 /nfs/dbraw/zinc/50/45/91/795504591.db2.gz YOQXRLMPTILIEQ-JKSUJKDBSA-N 1 2 346.475 2.181 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC001080150734 795644395 /nfs/dbraw/zinc/64/43/95/795644395.db2.gz RTOVCWQDQOQMTC-PRHODGIISA-N 1 2 330.201 2.113 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC001080150734 795644396 /nfs/dbraw/zinc/64/43/96/795644396.db2.gz RTOVCWQDQOQMTC-PRHODGIISA-N 1 2 330.201 2.113 20 30 EEEDLO C=CC(C)(C)C(=O)N(CC)C1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001080221863 795726257 /nfs/dbraw/zinc/72/62/57/795726257.db2.gz OIDPQYBWOGLHHB-UHFFFAOYSA-N 1 2 346.475 2.198 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001080227488 795764745 /nfs/dbraw/zinc/76/47/45/795764745.db2.gz UTALSMUEBKPTFS-DJSGYFEHSA-N 1 2 347.846 2.301 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001080227488 795764751 /nfs/dbraw/zinc/76/47/51/795764751.db2.gz UTALSMUEBKPTFS-DJSGYFEHSA-N 1 2 347.846 2.301 20 30 EEEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(F)F)o1)C2 ZINC001110046332 806450353 /nfs/dbraw/zinc/45/03/53/806450353.db2.gz XUKYAEQOKIACGY-AGIUHOORSA-N 1 2 338.354 2.202 20 30 EEEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(F)F)o1)C2 ZINC001110046332 806450356 /nfs/dbraw/zinc/45/03/56/806450356.db2.gz XUKYAEQOKIACGY-AGIUHOORSA-N 1 2 338.354 2.202 20 30 EEEDLO C[C@H](CCNc1ncc(C#N)cc1F)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001106594087 795908804 /nfs/dbraw/zinc/90/88/04/795908804.db2.gz 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C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)C(C)(C)C)C1 ZINC001177555456 799009817 /nfs/dbraw/zinc/00/98/17/799009817.db2.gz ISYCOZHXDXWOEW-UHFFFAOYSA-N 1 2 328.456 2.131 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@H](C)C3CC3)CC2)C1 ZINC001065704017 799350264 /nfs/dbraw/zinc/35/02/64/799350264.db2.gz IMIMWUJIYSWCQH-SJLPKXTDSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H](C)CC(C)C)CC2)C1 ZINC001065692171 799367986 /nfs/dbraw/zinc/36/79/86/799367986.db2.gz PQULHCUEBLNURW-ROUUACIJSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)/C(C)=C\CC)C2)CC1 ZINC001065692148 799368069 /nfs/dbraw/zinc/36/80/69/799368069.db2.gz POHOYTCXAOGECW-QGEBHBTGSA-N 1 2 347.503 2.444 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)/C(C)=C/CC)CC2)C1 ZINC001065692936 799370122 /nfs/dbraw/zinc/37/01/22/799370122.db2.gz WIUNHSAZWQMWOH-DYFCPDHGSA-N 1 2 333.476 2.054 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@H]3CCC)CC2)C1 ZINC001065695476 799375233 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346.475 2.363 20 30 EEEDLO C=CCCC[N@H+]1Cc2cnn(C3CCN(C(=O)[C@@H](C)OC)CC3)c2C1 ZINC001130164723 811239294 /nfs/dbraw/zinc/23/92/94/811239294.db2.gz QUHLDKGTVJRXBD-OAHLLOKOSA-N 1 2 346.475 2.363 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](c2nnc(C)[nH]2)C2(C[NH+](C[C@@H](F)CC)C2)C1 ZINC001130460948 811701973 /nfs/dbraw/zinc/70/19/73/811701973.db2.gz CZMVPXYGZUMWHC-GJZGRUSLSA-N 1 2 349.454 2.055 20 30 EEEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCCCCC(C)C)CC1 ZINC001131386079 812747941 /nfs/dbraw/zinc/74/79/41/812747941.db2.gz UESMXXUCPVTWKO-UHFFFAOYSA-N 1 2 337.508 2.429 20 30 EEEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCCCCC(C)C)CC1 ZINC001131386079 812747948 /nfs/dbraw/zinc/74/79/48/812747948.db2.gz UESMXXUCPVTWKO-UHFFFAOYSA-N 1 2 337.508 2.429 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)C[C@H]2CCOC2)CC1 ZINC001005198320 1194696271 /nfs/dbraw/zinc/69/62/71/1194696271.db2.gz NNBIXJJOLYHRGG-CYBMUJFWSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1ccc(OC)c(OC)c1 ZINC001445863945 1091783042 /nfs/dbraw/zinc/78/30/42/1091783042.db2.gz SMGGFSTXJMKHSA-CYBMUJFWSA-N 1 2 340.851 2.435 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc(OC)c(OC)c1 ZINC001445863945 1091783047 /nfs/dbraw/zinc/78/30/47/1091783047.db2.gz SMGGFSTXJMKHSA-CYBMUJFWSA-N 1 2 340.851 2.435 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2nc3ccccc3[nH]2)C1 ZINC001441106550 1094415596 /nfs/dbraw/zinc/41/55/96/1094415596.db2.gz WFWLAPVIUHGZCJ-ZDUSSCGKSA-N 1 2 332.835 2.439 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2nc3ccccc3[nH]2)C1 ZINC001441106550 1094415599 /nfs/dbraw/zinc/41/55/99/1094415599.db2.gz WFWLAPVIUHGZCJ-ZDUSSCGKSA-N 1 2 332.835 2.439 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)c2oc(C(C)C)nc2C)C1 ZINC001446787807 1101422534 /nfs/dbraw/zinc/42/25/34/1101422534.db2.gz OWBQDUBTSAHXMV-INIZCTEOSA-N 1 2 341.839 2.026 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)c2oc(C(C)C)nc2C)C1 ZINC001446787807 1101422543 /nfs/dbraw/zinc/42/25/43/1101422543.db2.gz OWBQDUBTSAHXMV-INIZCTEOSA-N 1 2 341.839 2.026 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)CCc2ccncn2)C1 ZINC001493954599 1103187366 /nfs/dbraw/zinc/18/73/66/1103187366.db2.gz CZWVNRDLQPUNDB-MRXNPFEDSA-N 1 2 336.867 2.475 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CCc2ccncn2)C1 ZINC001493954599 1103187371 /nfs/dbraw/zinc/18/73/71/1103187371.db2.gz CZWVNRDLQPUNDB-MRXNPFEDSA-N 1 2 336.867 2.475 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)c1ocnc1C ZINC001447782612 1103326249 /nfs/dbraw/zinc/32/62/49/1103326249.db2.gz XNKFYJHRIBIMID-GFCCVEGCSA-N 1 2 342.237 2.428 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1ocnc1C ZINC001447782612 1103326267 /nfs/dbraw/zinc/32/62/67/1103326267.db2.gz XNKFYJHRIBIMID-GFCCVEGCSA-N 1 2 342.237 2.428 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1csc2nccn12 ZINC001448142465 1104096625 /nfs/dbraw/zinc/09/66/25/1104096625.db2.gz LJEMYKZKELMXSG-NSHDSACASA-N 1 2 326.853 2.127 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1csc2nccn12 ZINC001448142465 1104096638 /nfs/dbraw/zinc/09/66/38/1104096638.db2.gz LJEMYKZKELMXSG-NSHDSACASA-N 1 2 326.853 2.127 20 30 EEEDLO Cc1cncc(CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)c1 ZINC001499027237 1108475368 /nfs/dbraw/zinc/47/53/68/1108475368.db2.gz XWCHTFGZCRTLGR-HNNXBMFYSA-N 1 2 340.452 2.256 20 30 EEEDLO Cc1cncc(CC(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)c1 ZINC001499027237 1108475370 /nfs/dbraw/zinc/47/53/70/1108475370.db2.gz XWCHTFGZCRTLGR-HNNXBMFYSA-N 1 2 340.452 2.256 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(CCCCO)C1CC1 ZINC001520304969 1119144752 /nfs/dbraw/zinc/14/47/52/1119144752.db2.gz FEJRYWOZDFTGGW-MRXNPFEDSA-N 1 2 333.480 2.362 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(CCCCO)C1CC1 ZINC001520304969 1119144753 /nfs/dbraw/zinc/14/47/53/1119144753.db2.gz FEJRYWOZDFTGGW-MRXNPFEDSA-N 1 2 333.480 2.362 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)CCC2 ZINC000350657832 238201723 /nfs/dbraw/zinc/20/17/23/238201723.db2.gz SRQXYNUBACGYDB-ZWKOTPCHSA-N 1 2 347.422 2.439 20 30 EEEDLO N#Cc1cccc(NCC(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000426750578 241335346 /nfs/dbraw/zinc/33/53/46/241335346.db2.gz OKOBXJRCZLFFGE-UHFFFAOYSA-N 1 2 331.379 2.472 20 30 EEEDLO Cc1ccn2cc(CNC(=O)C(=O)Nc3cccc(C)c3C#N)[nH+]c2c1 ZINC000441730810 242085038 /nfs/dbraw/zinc/08/50/38/242085038.db2.gz PMIFTGCUEMJODP-UHFFFAOYSA-N 1 2 347.378 2.078 20 30 EEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cccc(CC#N)c1 ZINC000455900599 244104638 /nfs/dbraw/zinc/10/46/38/244104638.db2.gz CHFAPZPMHNIBMX-WMLDXEAASA-N 1 2 328.416 2.080 20 30 EEEDLO C=C(C)CN(CC)C(=O)C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000459822069 245257063 /nfs/dbraw/zinc/25/70/63/245257063.db2.gz NDGBABNCACKENZ-UHFFFAOYSA-N 1 2 343.471 2.064 20 30 EEEDLO C#C[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000491655664 246098834 /nfs/dbraw/zinc/09/88/34/246098834.db2.gz CDUIGTIDGZNJAB-ZQIUZPCESA-N 1 2 349.862 2.423 20 30 EEEDLO CCn1cc[nH+]c1/C=C\C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000492312517 246395056 /nfs/dbraw/zinc/39/50/56/246395056.db2.gz LSYIZDNTBHWGPM-CNZFZVQHSA-N 1 2 349.438 2.153 20 30 EEEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000091918333 218088746 /nfs/dbraw/zinc/08/87/46/218088746.db2.gz PJZUTWJINGICCZ-UHFFFAOYSA-N 1 2 344.415 2.180 20 30 EEEDLO COc1ccc([C@@H](CNc2cccnc2C#N)[NH+]2CCOCC2)cc1 ZINC000274008520 256345571 /nfs/dbraw/zinc/34/55/71/256345571.db2.gz KOMJEYUOUFTQEL-LJQANCHMSA-N 1 2 338.411 2.447 20 30 EEEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000275892133 256386352 /nfs/dbraw/zinc/38/63/52/256386352.db2.gz HVNGELZKLNQJGQ-LKGOPFMKSA-N 1 2 347.422 2.094 20 30 EEEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000275892133 256386354 /nfs/dbraw/zinc/38/63/54/256386354.db2.gz HVNGELZKLNQJGQ-LKGOPFMKSA-N 1 2 347.422 2.094 20 30 EEEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)c1ccc(Cl)cc1 ZINC000491637088 533327435 /nfs/dbraw/zinc/32/74/35/533327435.db2.gz XYTRCWPWEZNJID-BBRMVZONSA-N 1 2 335.835 2.034 20 30 EEEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)c1ccc(Cl)cc1 ZINC000491637088 533327440 /nfs/dbraw/zinc/32/74/40/533327440.db2.gz XYTRCWPWEZNJID-BBRMVZONSA-N 1 2 335.835 2.034 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000083409151 159162779 /nfs/dbraw/zinc/16/27/79/159162779.db2.gz JPKZJGWFPJGLRG-HNNXBMFYSA-N 1 2 349.456 2.218 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000120539263 159392711 /nfs/dbraw/zinc/39/27/11/159392711.db2.gz WFEAAHZLPFHLFW-MRXNPFEDSA-N 1 2 349.438 2.271 20 30 EEEDLO Cc1c[nH+]ccc1NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000121556952 159410185 /nfs/dbraw/zinc/41/01/85/159410185.db2.gz RIYBMUOQBWDONE-UHFFFAOYSA-N 1 2 336.399 2.447 20 30 EEEDLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2cc(C#N)cs2)C[C@H](C)O1 ZINC000246079657 160261942 /nfs/dbraw/zinc/26/19/42/160261942.db2.gz DZUWKSJJSNUVNU-VNHYZAJKSA-N 1 2 333.457 2.334 20 30 EEEDLO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2cc(C#N)cs2)C[C@H](C)O1 ZINC000246079657 160261943 /nfs/dbraw/zinc/26/19/43/160261943.db2.gz DZUWKSJJSNUVNU-VNHYZAJKSA-N 1 2 333.457 2.334 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(OC(F)F)c1 ZINC000346672418 161390726 /nfs/dbraw/zinc/39/07/26/161390726.db2.gz ULEVJKZTYHCCOV-WHOFXGATSA-N 1 2 335.354 2.245 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(OC(F)F)c1 ZINC000346672418 161390727 /nfs/dbraw/zinc/39/07/27/161390727.db2.gz ULEVJKZTYHCCOV-WHOFXGATSA-N 1 2 335.354 2.245 20 30 EEEDLO COC[C@@H](C)[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000359874345 164189140 /nfs/dbraw/zinc/18/91/40/164189140.db2.gz IZOKTIJOYBPVKM-CVEARBPZSA-N 1 2 329.444 2.121 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000122475952 222096015 /nfs/dbraw/zinc/09/60/15/222096015.db2.gz ULAWRJVKYBTJKT-KRWDZBQOSA-N 1 2 347.503 2.300 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1C#N ZINC000329456703 269815174 /nfs/dbraw/zinc/81/51/74/269815174.db2.gz MYRKDCLVCPIGNB-FZMZJTMJSA-N 1 2 346.456 2.080 20 30 EEEDLO CSc1nc(C2CC2)cc(C(=O)N2CC(n3cc[nH+]c3)C2)c1C#N ZINC000523689333 269812441 /nfs/dbraw/zinc/81/24/41/269812441.db2.gz AQZWLCRXTDZWFP-UHFFFAOYSA-N 1 2 339.424 2.446 20 30 EEEDLO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000295721880 266256363 /nfs/dbraw/zinc/25/63/63/266256363.db2.gz VJKKUJDYZSUCTM-BSEYFRJRSA-N 1 2 348.468 2.395 20 30 EEEDLO C[C@H]1C[NH+]=C(N2CCN(c3nc4c(cc3C#N)CCCC4)CC2)S1 ZINC000301897429 267242432 /nfs/dbraw/zinc/24/24/32/267242432.db2.gz RFBAZCHRGJQPHK-ZDUSSCGKSA-N 1 2 341.484 2.445 20 30 EEEDLO Cc1cccc([C@@H](CNc2cc(C)ncc2C#N)[NH+]2CCOCC2)c1 ZINC000425212395 268056310 /nfs/dbraw/zinc/05/63/10/268056310.db2.gz ZZGBHGUAUXLVPN-HXUWFJFHSA-N 1 2 336.439 2.477 20 30 EEEDLO Cc1ccn2cc(CNS(=O)(=O)c3ccc(C#N)s3)[nH+]c2c1 ZINC000435421161 268062822 /nfs/dbraw/zinc/06/28/22/268062822.db2.gz IBJMRRFRMGAVMM-UHFFFAOYSA-N 1 2 332.410 2.054 20 30 EEEDLO N#Cc1cccc(C(=O)N2CC[NH+](C3CC3)CC2)c1Br ZINC000448812544 268271649 /nfs/dbraw/zinc/27/16/49/268271649.db2.gz VQEXMHANRBSZAL-UHFFFAOYSA-N 1 2 334.217 2.241 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC3CC(F)(F)C3)CC2)cc1 ZINC000277543986 274306842 /nfs/dbraw/zinc/30/68/42/274306842.db2.gz UNLJIVMNVFNJRJ-UHFFFAOYSA-N 1 2 334.370 2.183 20 30 EEEDLO CCOC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000496060034 276282722 /nfs/dbraw/zinc/28/27/22/276282722.db2.gz HHVKMRWYESVIIF-UHFFFAOYSA-N 1 2 332.360 2.131 20 30 EEEDLO CCOC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000496060034 276282724 /nfs/dbraw/zinc/28/27/24/276282724.db2.gz HHVKMRWYESVIIF-UHFFFAOYSA-N 1 2 332.360 2.131 20 30 EEEDLO N#Cc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)ccc1Cl ZINC000538683766 318040504 /nfs/dbraw/zinc/04/05/04/318040504.db2.gz OLJDHMUEZRYCIG-HNNXBMFYSA-N 1 2 333.819 2.148 20 30 EEEDLO CN1C(=O)C[C@@H]([NH2+]Cc2ncc(C#N)cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000563875694 319051127 /nfs/dbraw/zinc/05/11/27/319051127.db2.gz HCZNYBAVXODOQR-PBHICJAKSA-N 1 2 341.802 2.063 20 30 EEEDLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000566984308 319338732 /nfs/dbraw/zinc/33/87/32/319338732.db2.gz HDLQXQBDQAQLET-UHFFFAOYSA-N 1 2 345.428 2.237 20 30 EEEDLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000566984308 319338734 /nfs/dbraw/zinc/33/87/34/319338734.db2.gz HDLQXQBDQAQLET-UHFFFAOYSA-N 1 2 345.428 2.237 20 30 EEEDLO Cc1cc(C[NH+]2CCN(c3cccc(-n4cccn4)c3C#N)CC2)on1 ZINC000575329223 320101304 /nfs/dbraw/zinc/10/13/04/320101304.db2.gz FSYVIQGNNPACJQ-UHFFFAOYSA-N 1 2 348.410 2.363 20 30 EEEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3ccon3)CC2)c1 ZINC000609195313 449975843 /nfs/dbraw/zinc/97/58/43/449975843.db2.gz RLIICYUUMXYOJE-UHFFFAOYSA-N 1 2 326.356 2.028 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2O)CC1 ZINC000042251204 463553285 /nfs/dbraw/zinc/55/32/85/463553285.db2.gz QUKSMJQXSZLKJO-MRXNPFEDSA-N 1 2 331.460 2.327 20 30 EEEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)CC1 ZINC000354597948 465045116 /nfs/dbraw/zinc/04/51/16/465045116.db2.gz RCCSCJHVTNLRMS-UHFFFAOYSA-N 1 2 341.455 2.176 20 30 EEEDLO N#Cc1ccc(C(=O)NCC(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000339245929 465163858 /nfs/dbraw/zinc/16/38/58/465163858.db2.gz QKXLSRQMLPIHCF-UHFFFAOYSA-N 1 2 345.362 2.112 20 30 EEEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3ccc(Cl)s3)CC2)C1=O ZINC000337126103 465204788 /nfs/dbraw/zinc/20/47/88/465204788.db2.gz FOMLCZZJXUFYPS-CQSZACIVSA-N 1 2 339.892 2.306 20 30 EEEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3nc4c(s3)CCC4)C2)n1 ZINC000329069503 465223814 /nfs/dbraw/zinc/22/38/14/465223814.db2.gz YDHFTBSLSUYWAF-JTQLQIEISA-N 1 2 333.417 2.401 20 30 EEEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3nc4c(s3)CCC4)C2)n1 ZINC000329069503 465223819 /nfs/dbraw/zinc/22/38/19/465223819.db2.gz YDHFTBSLSUYWAF-JTQLQIEISA-N 1 2 333.417 2.401 20 30 EEEDLO CCn1ncnc1C[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000355579415 465257132 /nfs/dbraw/zinc/25/71/32/465257132.db2.gz GUBRUYGBDNTIHI-UHFFFAOYSA-N 1 2 329.404 2.279 20 30 EEEDLO C[C@@H]1CCCN1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329228041 465273701 /nfs/dbraw/zinc/27/37/01/465273701.db2.gz ILSTXJWQDTVJFO-SUYBPPKGSA-N 1 2 345.447 2.013 20 30 EEEDLO C#CC[N@@H+](CCCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000490938043 468272374 /nfs/dbraw/zinc/27/23/74/468272374.db2.gz WGTCQMBWBAQKOD-OAHLLOKOSA-N 1 2 325.861 2.395 20 30 EEEDLO C#CC[N@H+](CCCc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000490938043 468272379 /nfs/dbraw/zinc/27/23/79/468272379.db2.gz WGTCQMBWBAQKOD-OAHLLOKOSA-N 1 2 325.861 2.395 20 30 EEEDLO C[C@H]1CN(c2ccc(CNc3nc(C#N)c(Cl)s3)c[nH+]2)CCO1 ZINC000590572769 468275829 /nfs/dbraw/zinc/27/58/29/468275829.db2.gz RVEHMWYGSHXDSC-JTQLQIEISA-N 1 2 349.847 2.900 20 30 EEEDLO Cc1cc([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)C2)n[nH]1 ZINC000329539583 465365942 /nfs/dbraw/zinc/36/59/42/465365942.db2.gz CMGGQXBMWAAZNM-CHWSQXEVSA-N 1 2 328.420 2.092 20 30 EEEDLO CC(C)CO[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000044953971 462543500 /nfs/dbraw/zinc/54/35/00/462543500.db2.gz XEGYVVYBIAEFOK-MRXNPFEDSA-N 1 2 329.444 2.264 20 30 EEEDLO CC[N@@H+](CC(=O)N(C)Cc1cccc(OC)c1OC)C[C@H](C)C#N ZINC000064248837 462690616 /nfs/dbraw/zinc/69/06/16/462690616.db2.gz GVNOQWDXFFOJAG-CQSZACIVSA-N 1 2 333.432 2.144 20 30 EEEDLO CC[N@H+](CC(=O)N(C)Cc1cccc(OC)c1OC)C[C@H](C)C#N ZINC000064248837 462690623 /nfs/dbraw/zinc/69/06/23/462690623.db2.gz GVNOQWDXFFOJAG-CQSZACIVSA-N 1 2 333.432 2.144 20 30 EEEDLO N#Cc1ccccc1CSCCNC(=O)NCCCn1cc[nH+]c1 ZINC000047597137 462802649 /nfs/dbraw/zinc/80/26/49/462802649.db2.gz JEILKRJXAIXEIU-UHFFFAOYSA-N 1 2 343.456 2.377 20 30 EEEDLO C=CCOc1ccc(C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)cc1 ZINC000065758311 462825315 /nfs/dbraw/zinc/82/53/15/462825315.db2.gz OBXZMZIXFUKDLP-UHFFFAOYSA-N 1 2 344.415 2.361 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000048364946 462901457 /nfs/dbraw/zinc/90/14/57/462901457.db2.gz KCYCPDXWEPNEQJ-XIRDDKMYSA-N 1 2 341.411 2.303 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000048364946 462901460 /nfs/dbraw/zinc/90/14/60/462901460.db2.gz KCYCPDXWEPNEQJ-XIRDDKMYSA-N 1 2 341.411 2.303 20 30 EEEDLO N#Cc1ccsc1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000052034685 463059340 /nfs/dbraw/zinc/05/93/40/463059340.db2.gz PDETWUMVYNAAKR-UHFFFAOYSA-N 1 2 340.452 2.172 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000052636108 463098244 /nfs/dbraw/zinc/09/82/44/463098244.db2.gz QTRXDVGMBNXNKJ-OPUMOTSWSA-N 1 2 340.471 2.078 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000052636108 463098246 /nfs/dbraw/zinc/09/82/46/463098246.db2.gz QTRXDVGMBNXNKJ-OPUMOTSWSA-N 1 2 340.471 2.078 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000078754108 463146259 /nfs/dbraw/zinc/14/62/59/463146259.db2.gz RKVYKLZUJSFISQ-GOSISDBHSA-N 1 2 341.455 2.314 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000078754108 463146264 /nfs/dbraw/zinc/14/62/64/463146264.db2.gz RKVYKLZUJSFISQ-GOSISDBHSA-N 1 2 341.455 2.314 20 30 EEEDLO CC(C)Oc1ccc(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1C#N ZINC000157708583 463160135 /nfs/dbraw/zinc/16/01/35/463160135.db2.gz IOQSMSPOQBGDQQ-AWEZNQCLSA-N 1 2 346.431 2.188 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C(=O)NC)CC1 ZINC000029164173 463245273 /nfs/dbraw/zinc/24/52/73/463245273.db2.gz KGYLTNGYQQLAKY-UHFFFAOYSA-N 1 2 347.484 2.361 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cccc(S(=O)(=O)C(C)C)c1 ZINC000491316867 468348665 /nfs/dbraw/zinc/34/86/65/468348665.db2.gz YDQBTUYPVRTWLY-INIZCTEOSA-N 1 2 349.452 2.123 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cccc(S(=O)(=O)C(C)C)c1 ZINC000491316867 468348673 /nfs/dbraw/zinc/34/86/73/468348673.db2.gz YDQBTUYPVRTWLY-INIZCTEOSA-N 1 2 349.452 2.123 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2cccs2)CC1 ZINC000042475338 463565899 /nfs/dbraw/zinc/56/58/99/463565899.db2.gz TXIIORAQQORQLS-MRXNPFEDSA-N 1 2 333.501 2.455 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CC(=O)NC(C)C)cc1 ZINC000042503234 463568305 /nfs/dbraw/zinc/56/83/05/463568305.db2.gz GUFUTSXNXSLEAW-INIZCTEOSA-N 1 2 344.459 2.087 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CC(=O)NC(C)C)cc1 ZINC000042503234 463568310 /nfs/dbraw/zinc/56/83/10/463568310.db2.gz GUFUTSXNXSLEAW-INIZCTEOSA-N 1 2 344.459 2.087 20 30 EEEDLO C[C@H]1C[N@H+](CCNc2c(C#N)cnc3c(F)ccc(Cl)c32)CCO1 ZINC000522275349 468368026 /nfs/dbraw/zinc/36/80/26/468368026.db2.gz SQOUIVSVUSGHLU-NSHDSACASA-N 1 2 348.809 2.453 20 30 EEEDLO C[C@H]1C[N@@H+](CCNc2c(C#N)cnc3c(F)ccc(Cl)c32)CCO1 ZINC000522275349 468368030 /nfs/dbraw/zinc/36/80/30/468368030.db2.gz SQOUIVSVUSGHLU-NSHDSACASA-N 1 2 348.809 2.453 20 30 EEEDLO C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000112216016 463693697 /nfs/dbraw/zinc/69/36/97/463693697.db2.gz HYPCMWINBHQPRF-KRWDZBQOSA-N 1 2 336.524 2.400 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184886633 463712761 /nfs/dbraw/zinc/71/27/61/463712761.db2.gz CNHHLUDRMIHGOE-QWHCGFSZSA-N 1 2 342.399 2.393 20 30 EEEDLO N#CCOc1ccc(/C=C\C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000255907794 463753874 /nfs/dbraw/zinc/75/38/74/463753874.db2.gz QJGOHHHLYWARSX-SKHCZCESSA-N 1 2 348.406 2.392 20 30 EEEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000287143641 463812843 /nfs/dbraw/zinc/81/28/43/463812843.db2.gz FXCMCCLGRGWUMI-PMACEKPBSA-N 1 2 340.467 2.238 20 30 EEEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000287143641 463812847 /nfs/dbraw/zinc/81/28/47/463812847.db2.gz FXCMCCLGRGWUMI-PMACEKPBSA-N 1 2 340.467 2.238 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000579583913 468380244 /nfs/dbraw/zinc/38/02/44/468380244.db2.gz RKWJKWMMHWLWIE-CQSZACIVSA-N 1 2 339.399 2.441 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000579583913 468380249 /nfs/dbraw/zinc/38/02/49/468380249.db2.gz RKWJKWMMHWLWIE-CQSZACIVSA-N 1 2 339.399 2.441 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000579583913 468380254 /nfs/dbraw/zinc/38/02/54/468380254.db2.gz RKWJKWMMHWLWIE-CQSZACIVSA-N 1 2 339.399 2.441 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000579583913 468380257 /nfs/dbraw/zinc/38/02/57/468380257.db2.gz RKWJKWMMHWLWIE-CQSZACIVSA-N 1 2 339.399 2.441 20 30 EEEDLO CCCCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000178149666 463853532 /nfs/dbraw/zinc/85/35/32/463853532.db2.gz AXCIINOVMMJBRT-CQSZACIVSA-N 1 2 347.463 2.014 20 30 EEEDLO CCOCCCNC(=O)[C@@H](C)O[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000178170863 463855706 /nfs/dbraw/zinc/85/57/06/463855706.db2.gz CKTNPCKWZLTTKR-GFCCVEGCSA-N 1 2 341.839 2.103 20 30 EEEDLO Cc1ccc([C@@H](CNC(=O)NCCCCC#N)[NH+]2CCOCC2)cc1 ZINC000171429034 463861799 /nfs/dbraw/zinc/86/17/99/463861799.db2.gz IITFLGXQJXDSIT-GOSISDBHSA-N 1 2 344.459 2.361 20 30 EEEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)CSc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000194748337 463922459 /nfs/dbraw/zinc/92/24/59/463922459.db2.gz OBKYMMGPKVCACP-GASCZTMLSA-N 1 2 347.484 2.218 20 30 EEEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)CSc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000194748337 463922463 /nfs/dbraw/zinc/92/24/63/463922463.db2.gz OBKYMMGPKVCACP-GASCZTMLSA-N 1 2 347.484 2.218 20 30 EEEDLO C[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)c1ccc(C#N)cc1 ZINC000287615510 463945858 /nfs/dbraw/zinc/94/58/58/463945858.db2.gz PHGDDIRNJAEPAF-KDOFPFPSSA-N 1 2 327.428 2.236 20 30 EEEDLO C[C@@H](NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)c1ccc(C#N)cc1 ZINC000287615510 463945863 /nfs/dbraw/zinc/94/58/63/463945863.db2.gz PHGDDIRNJAEPAF-KDOFPFPSSA-N 1 2 327.428 2.236 20 30 EEEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc([S@@](C)=O)cc1 ZINC000178802422 463979243 /nfs/dbraw/zinc/97/92/43/463979243.db2.gz ZELHQWIDCIQNNL-XMMPIXPASA-N 1 2 341.436 2.366 20 30 EEEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc([S@@](C)=O)cc1 ZINC000178802422 463979249 /nfs/dbraw/zinc/97/92/49/463979249.db2.gz ZELHQWIDCIQNNL-XMMPIXPASA-N 1 2 341.436 2.366 20 30 EEEDLO C[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc(C#N)cc1 ZINC000263723826 464166839 /nfs/dbraw/zinc/16/68/39/464166839.db2.gz LXDXMBUWOBVBCA-AWEZNQCLSA-N 1 2 330.432 2.029 20 30 EEEDLO C[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc(C#N)cc1 ZINC000263723826 464166842 /nfs/dbraw/zinc/16/68/42/464166842.db2.gz LXDXMBUWOBVBCA-AWEZNQCLSA-N 1 2 330.432 2.029 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000188112337 464202323 /nfs/dbraw/zinc/20/23/23/464202323.db2.gz QWBSXJVIKBBZHG-UYAOXDASSA-N 1 2 346.471 2.405 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000180453013 464312733 /nfs/dbraw/zinc/31/27/33/464312733.db2.gz NXEOLSNOHMCHLC-OAHLLOKOSA-N 1 2 332.448 2.462 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000281238269 464382977 /nfs/dbraw/zinc/38/29/77/464382977.db2.gz FJCSCFCHZYDVCF-AEFFLSMTSA-N 1 2 344.459 2.462 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(C)c(F)c2)C1=O ZINC000281285200 464399808 /nfs/dbraw/zinc/39/98/08/464399808.db2.gz IYWZWAFBVYUAKZ-CZUORRHYSA-N 1 2 333.407 2.180 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(C)c(F)c2)C1=O ZINC000281285200 464399815 /nfs/dbraw/zinc/39/98/15/464399815.db2.gz IYWZWAFBVYUAKZ-CZUORRHYSA-N 1 2 333.407 2.180 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C)cc2Cl)C1=O ZINC000281439193 464454480 /nfs/dbraw/zinc/45/44/80/464454480.db2.gz TVISNYDPJWNACX-OAHLLOKOSA-N 1 2 335.835 2.306 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C)cc2Cl)C1=O ZINC000281439193 464454485 /nfs/dbraw/zinc/45/44/85/464454485.db2.gz TVISNYDPJWNACX-OAHLLOKOSA-N 1 2 335.835 2.306 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3COc4ccccc43)CC2)cc1 ZINC000264868694 464497214 /nfs/dbraw/zinc/49/72/14/464497214.db2.gz HJKLSACSMGJYOL-IBGZPJMESA-N 1 2 347.418 2.379 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000245735923 464511573 /nfs/dbraw/zinc/51/15/73/464511573.db2.gz USYIRLKTRNEEFV-KBPBESRZSA-N 1 2 335.414 2.368 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000245735923 464511581 /nfs/dbraw/zinc/51/15/81/464511581.db2.gz USYIRLKTRNEEFV-KBPBESRZSA-N 1 2 335.414 2.368 20 30 EEEDLO C[C@@H](N1CC[NH+](CCOCC(F)(F)C(F)F)CC1)C(F)(F)F ZINC000189509563 464522051 /nfs/dbraw/zinc/52/20/51/464522051.db2.gz NMUVPINECJDVGD-SECBINFHSA-N 1 2 340.283 2.472 20 30 EEEDLO CC(=O)c1ccc(C#N)c(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c1 ZINC000272332822 464568717 /nfs/dbraw/zinc/56/87/17/464568717.db2.gz AFDQOXXVOSMNFS-LBPRGKRZSA-N 1 2 328.441 2.374 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285648439 464643571 /nfs/dbraw/zinc/64/35/71/464643571.db2.gz YDPRBPHFGMGPDJ-CQSZACIVSA-N 1 2 343.427 2.318 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285648439 464643579 /nfs/dbraw/zinc/64/35/79/464643579.db2.gz YDPRBPHFGMGPDJ-CQSZACIVSA-N 1 2 343.427 2.318 20 30 EEEDLO C=CCC[C@@H](C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccccc1 ZINC000275179588 464766531 /nfs/dbraw/zinc/76/65/31/464766531.db2.gz USDHGCQZRPTUNJ-QGZVFWFLSA-N 1 2 343.471 2.145 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(C#N)cc2)CCO1 ZINC000276159243 464828545 /nfs/dbraw/zinc/82/85/45/464828545.db2.gz FWYATTWYFBTJHJ-LLHDCHNASA-N 1 2 336.395 2.341 20 30 EEEDLO N#CC[C@H](O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000352154135 465480085 /nfs/dbraw/zinc/48/00/85/465480085.db2.gz QMZYBAFXTAHDSH-HNNXBMFYSA-N 1 2 343.456 2.230 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(C)(O)CC1 ZINC000177313088 464984525 /nfs/dbraw/zinc/98/45/25/464984525.db2.gz LHNCZQVGXTYRQA-NSHDSACASA-N 1 2 333.457 2.282 20 30 EEEDLO Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000330000033 465502271 /nfs/dbraw/zinc/50/22/71/465502271.db2.gz VUWFIXJHBJSELH-RDJZCZTQSA-N 1 2 332.448 2.397 20 30 EEEDLO Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000330000033 465502274 /nfs/dbraw/zinc/50/22/74/465502274.db2.gz VUWFIXJHBJSELH-RDJZCZTQSA-N 1 2 332.448 2.397 20 30 EEEDLO C[C@@H](O)C[N@@H+]1CCN(c2ccc(C#N)cc2Br)[C@H](C)C1 ZINC000192798250 464999809 /nfs/dbraw/zinc/99/98/09/464999809.db2.gz KXAPOUJWOFHEJX-VXGBXAGGSA-N 1 2 338.249 2.212 20 30 EEEDLO C[C@@H](O)C[N@H+]1CCN(c2ccc(C#N)cc2Br)[C@H](C)C1 ZINC000192798250 464999811 /nfs/dbraw/zinc/99/98/11/464999811.db2.gz KXAPOUJWOFHEJX-VXGBXAGGSA-N 1 2 338.249 2.212 20 30 EEEDLO C[C@]1(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CCOC1 ZINC000329399406 465322704 /nfs/dbraw/zinc/32/27/04/465322704.db2.gz ARFMNNKGTCIMIF-KRWDZBQOSA-N 1 2 330.388 2.414 20 30 EEEDLO CCC[C@H](C#N)N(C)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000342580413 465331242 /nfs/dbraw/zinc/33/12/42/465331242.db2.gz KYKKJPVWVGNWFB-OAHLLOKOSA-N 1 2 332.429 2.244 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC(C)(C#N)CC1)C1CCOCC1 ZINC000329434685 465332619 /nfs/dbraw/zinc/33/26/19/465332619.db2.gz IWJFMEZLJAOVCA-OAHLLOKOSA-N 1 2 345.447 2.427 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccon2)c(OC)c1 ZINC000351901963 465431299 /nfs/dbraw/zinc/43/12/99/465431299.db2.gz IIPUZTLJULRQMO-MRXNPFEDSA-N 1 2 332.400 2.283 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccon2)c(OC)c1 ZINC000351901963 465431304 /nfs/dbraw/zinc/43/13/04/465431304.db2.gz IIPUZTLJULRQMO-MRXNPFEDSA-N 1 2 332.400 2.283 20 30 EEEDLO CC(C)n1ncc2ccc(NC(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)cc21 ZINC000329928348 465476559 /nfs/dbraw/zinc/47/65/59/465476559.db2.gz MHQRNILBFCUYRL-IRXDYDNUSA-N 1 2 343.431 2.178 20 30 EEEDLO CC(C)n1ncc2ccc(NC(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)cc21 ZINC000329928348 465476564 /nfs/dbraw/zinc/47/65/64/465476564.db2.gz MHQRNILBFCUYRL-IRXDYDNUSA-N 1 2 343.431 2.178 20 30 EEEDLO CC(C)C(=O)NC1CCN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329950495 465486229 /nfs/dbraw/zinc/48/62/29/465486229.db2.gz LXTBORFYQGSXPW-AWEZNQCLSA-N 1 2 347.463 2.436 20 30 EEEDLO CC(=O)N[C@@H](C)C1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000330048270 465516933 /nfs/dbraw/zinc/51/69/33/465516933.db2.gz IJRGEKJHFNRRNX-ZDUSSCGKSA-N 1 2 341.415 2.484 20 30 EEEDLO C[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1noc(Cc2ccccc2)n1 ZINC000348311456 465544460 /nfs/dbraw/zinc/54/44/60/465544460.db2.gz WAQVXGFYAGGQHL-AWEZNQCLSA-N 1 2 341.415 2.073 20 30 EEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348332963 465555676 /nfs/dbraw/zinc/55/56/76/465555676.db2.gz XDZSSEBUOPTRAE-CXAGYDPISA-N 1 2 346.862 2.189 20 30 EEEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H]1CCCOC1)CC2 ZINC000330217836 465573590 /nfs/dbraw/zinc/57/35/90/465573590.db2.gz OCYXGJZLFWDCMD-HNNXBMFYSA-N 1 2 334.416 2.197 20 30 EEEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H]1CCCOC1)CC2 ZINC000330217836 465573593 /nfs/dbraw/zinc/57/35/93/465573593.db2.gz OCYXGJZLFWDCMD-HNNXBMFYSA-N 1 2 334.416 2.197 20 30 EEEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000371089976 465591067 /nfs/dbraw/zinc/59/10/67/465591067.db2.gz STDLEHHYWZXKSY-INIZCTEOSA-N 1 2 345.399 2.162 20 30 EEEDLO CCOC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)[C@@H](C)CC ZINC000299147057 465624768 /nfs/dbraw/zinc/62/47/68/465624768.db2.gz WQVATDINTMRCNQ-GUYCJALGSA-N 1 2 331.416 2.454 20 30 EEEDLO C=CCn1c(-c2sccc2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000337868554 465642826 /nfs/dbraw/zinc/64/28/26/465642826.db2.gz SKPZOMKMORRQKY-UHFFFAOYSA-N 1 2 347.488 2.269 20 30 EEEDLO CC(C)Cn1ncc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1C(F)F ZINC000330502821 465686487 /nfs/dbraw/zinc/68/64/87/465686487.db2.gz XRKQGPAIKKFLBC-LLVKDONJSA-N 1 2 345.394 2.133 20 30 EEEDLO CC(C)Cn1ncc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1C(F)F ZINC000330502821 465686492 /nfs/dbraw/zinc/68/64/92/465686492.db2.gz XRKQGPAIKKFLBC-LLVKDONJSA-N 1 2 345.394 2.133 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCc2ccc3c(c2)OCCO3)cc1OC ZINC000299365764 465718937 /nfs/dbraw/zinc/71/89/37/465718937.db2.gz UHFDQBIDNKEVQU-UHFFFAOYSA-N 1 2 344.367 2.312 20 30 EEEDLO N#CC1(CS(=O)(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCC1 ZINC000554891677 468449911 /nfs/dbraw/zinc/44/99/11/468449911.db2.gz CUQLVCLKEPGLCV-UHFFFAOYSA-N 1 2 344.440 2.045 20 30 EEEDLO C=CCCCN(C)C(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000345135719 465833788 /nfs/dbraw/zinc/83/37/88/465833788.db2.gz UNCWMHWNUQEOGJ-YJBOKZPZSA-N 1 2 344.459 2.287 20 30 EEEDLO CC(C)(C)Oc1cccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)n1 ZINC000348951830 465887299 /nfs/dbraw/zinc/88/72/99/465887299.db2.gz WZBXHZOGCYEATD-KRWDZBQOSA-N 1 2 338.411 2.447 20 30 EEEDLO C=C(C)COCCNc1[nH+]cnc2c1c(Br)nn2C ZINC000301695072 466013480 /nfs/dbraw/zinc/01/34/80/466013480.db2.gz ZLNVREVJPKUXMY-UHFFFAOYSA-N 1 2 326.198 2.130 20 30 EEEDLO N#Cc1cccc(-n2ccc(C(=O)N3CCC[C@H]3c3[nH]cc[nH+]3)n2)c1 ZINC000366974062 466048623 /nfs/dbraw/zinc/04/86/23/466048623.db2.gz PVTGIOHLUMDZBR-INIZCTEOSA-N 1 2 332.367 2.444 20 30 EEEDLO CC(C)OC[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000372122437 466173930 /nfs/dbraw/zinc/17/39/30/466173930.db2.gz ZTKQWGBARMDMGF-AWEZNQCLSA-N 1 2 337.445 2.074 20 30 EEEDLO CC(C)OC[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000372122437 466173939 /nfs/dbraw/zinc/17/39/39/466173939.db2.gz ZTKQWGBARMDMGF-AWEZNQCLSA-N 1 2 337.445 2.074 20 30 EEEDLO N#CC1(CS(=O)(=O)NCc2cn3c([nH+]2)CCCC3)CCCCC1 ZINC000331896823 466294849 /nfs/dbraw/zinc/29/48/49/466294849.db2.gz HGBJBVBUVGTTDU-UHFFFAOYSA-N 1 2 336.461 2.113 20 30 EEEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1C ZINC000332235706 466462216 /nfs/dbraw/zinc/46/22/16/466462216.db2.gz NMZKWVCSIWTMIU-ZDUSSCGKSA-N 1 2 345.447 2.176 20 30 EEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1C ZINC000332235706 466462222 /nfs/dbraw/zinc/46/22/22/466462222.db2.gz NMZKWVCSIWTMIU-ZDUSSCGKSA-N 1 2 345.447 2.176 20 30 EEEDLO CC[C@H](C(=O)N1CCc2c1cccc2C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000332238057 466463881 /nfs/dbraw/zinc/46/38/81/466463881.db2.gz HPXSMGMSQCDCQK-NVXWUHKLSA-N 1 2 327.428 2.337 20 30 EEEDLO CC[C@H](C(=O)N1CCc2c1cccc2C#N)[N@H+]1CCO[C@H](CC)C1 ZINC000332238057 466463885 /nfs/dbraw/zinc/46/38/85/466463885.db2.gz HPXSMGMSQCDCQK-NVXWUHKLSA-N 1 2 327.428 2.337 20 30 EEEDLO C=CC[C@@H](C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000354416337 466551957 /nfs/dbraw/zinc/55/19/57/466551957.db2.gz CYFUQKAIVNJHFU-CZUORRHYSA-N 1 2 332.448 2.098 20 30 EEEDLO C=CC[C@@H](C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000354416337 466551964 /nfs/dbraw/zinc/55/19/64/466551964.db2.gz CYFUQKAIVNJHFU-CZUORRHYSA-N 1 2 332.448 2.098 20 30 EEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000363964568 466670321 /nfs/dbraw/zinc/67/03/21/466670321.db2.gz LHHLOIXZDRZMHH-LBPRGKRZSA-N 1 2 336.804 2.461 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2ccc(OCC#N)cc2)C1 ZINC000369368236 466729095 /nfs/dbraw/zinc/72/90/95/466729095.db2.gz GBGKSMIJNNBFAL-INIZCTEOSA-N 1 2 338.411 2.271 20 30 EEEDLO Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1S(=O)(=O)[C@H](C)C#N ZINC000416442230 466734634 /nfs/dbraw/zinc/73/46/34/466734634.db2.gz SOMTXAAMBQMEML-OCCSQVGLSA-N 1 2 332.429 2.051 20 30 EEEDLO C[N@H+](Cc1cc(C#N)ccc1Br)[C@H]1CCCCNC1=O ZINC000365198221 466742600 /nfs/dbraw/zinc/74/26/00/466742600.db2.gz FBMORAVTFGWKFC-AWEZNQCLSA-N 1 2 336.233 2.421 20 30 EEEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)[C@H]1CCCCNC1=O ZINC000365198221 466742604 /nfs/dbraw/zinc/74/26/04/466742604.db2.gz FBMORAVTFGWKFC-AWEZNQCLSA-N 1 2 336.233 2.421 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000370622598 466944363 /nfs/dbraw/zinc/94/43/63/466944363.db2.gz PNQGFALYCPEKNV-HNNXBMFYSA-N 1 2 335.411 2.102 20 30 EEEDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000366098308 467058342 /nfs/dbraw/zinc/05/83/42/467058342.db2.gz OTOZAKSWOYGLDQ-INIZCTEOSA-N 1 2 329.448 2.208 20 30 EEEDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000366098308 467058349 /nfs/dbraw/zinc/05/83/49/467058349.db2.gz OTOZAKSWOYGLDQ-INIZCTEOSA-N 1 2 329.448 2.208 20 30 EEEDLO C=CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1)c1ccccc1 ZINC000412363134 467074134 /nfs/dbraw/zinc/07/41/34/467074134.db2.gz JLECGNDXPHAQAV-SJLPKXTDSA-N 1 2 344.455 2.348 20 30 EEEDLO C=CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1)c1ccccc1 ZINC000412363134 467074139 /nfs/dbraw/zinc/07/41/39/467074139.db2.gz JLECGNDXPHAQAV-SJLPKXTDSA-N 1 2 344.455 2.348 20 30 EEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000426067709 467139115 /nfs/dbraw/zinc/13/91/15/467139115.db2.gz ULCXGVNZQRCFEF-ZDUSSCGKSA-N 1 2 326.404 2.448 20 30 EEEDLO N#CCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000431147577 467498969 /nfs/dbraw/zinc/49/89/69/467498969.db2.gz DOFCCMDJFVXQQE-UHFFFAOYSA-N 1 2 325.328 2.204 20 30 EEEDLO C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000437426176 467556165 /nfs/dbraw/zinc/55/61/65/467556165.db2.gz ZDEKRSTZMBZAJQ-CYBMUJFWSA-N 1 2 338.367 2.430 20 30 EEEDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000444780453 467583590 /nfs/dbraw/zinc/58/35/90/467583590.db2.gz FGZBVZJICKFXBB-CRAIPNDOSA-N 1 2 337.464 2.192 20 30 EEEDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000444780453 467583591 /nfs/dbraw/zinc/58/35/91/467583591.db2.gz FGZBVZJICKFXBB-CRAIPNDOSA-N 1 2 337.464 2.192 20 30 EEEDLO C=C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000444958183 467583815 /nfs/dbraw/zinc/58/38/15/467583815.db2.gz KEABGBCFVWIYAG-AWEZNQCLSA-N 1 2 330.432 2.047 20 30 EEEDLO CCC[N@H+](CC#N)C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496538715 467638220 /nfs/dbraw/zinc/63/82/20/467638220.db2.gz IPIBRJJFNLVUEM-OAHLLOKOSA-N 1 2 325.453 2.230 20 30 EEEDLO CCC[N@@H+](CC#N)C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496538715 467638222 /nfs/dbraw/zinc/63/82/22/467638222.db2.gz IPIBRJJFNLVUEM-OAHLLOKOSA-N 1 2 325.453 2.230 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CCC1 ZINC000525886547 467645801 /nfs/dbraw/zinc/64/58/01/467645801.db2.gz RXHWDXQWAGBKLU-HNNXBMFYSA-N 1 2 343.402 2.283 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CCC1 ZINC000525886547 467645806 /nfs/dbraw/zinc/64/58/06/467645806.db2.gz RXHWDXQWAGBKLU-HNNXBMFYSA-N 1 2 343.402 2.283 20 30 EEEDLO C=C(CC)CNC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000455219610 467649251 /nfs/dbraw/zinc/64/92/51/467649251.db2.gz ISFLPHXQEPHVDC-UHFFFAOYSA-N 1 2 344.459 2.438 20 30 EEEDLO C[C@@H](C#N)OCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@](C)(F)C1 ZINC000496819676 467718443 /nfs/dbraw/zinc/71/84/43/467718443.db2.gz MYYVHJADDWOBIS-XJKSGUPXSA-N 1 2 329.416 2.196 20 30 EEEDLO C[C@@H](C#N)OCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@](C)(F)C1 ZINC000496819676 467718447 /nfs/dbraw/zinc/71/84/47/467718447.db2.gz MYYVHJADDWOBIS-XJKSGUPXSA-N 1 2 329.416 2.196 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1 ZINC000450231686 467804607 /nfs/dbraw/zinc/80/46/07/467804607.db2.gz KHDNZQBOFJKQPV-UHFFFAOYSA-N 1 2 343.818 2.203 20 30 EEEDLO CCOc1ccc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1OCC ZINC000493329047 467887799 /nfs/dbraw/zinc/88/77/99/467887799.db2.gz BSCQYFIAGQSQMO-JQYPEGPJSA-N 1 2 345.443 2.457 20 30 EEEDLO C=CC[C@@H](CC)NC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000458744818 467890167 /nfs/dbraw/zinc/89/01/67/467890167.db2.gz WZLJWIXXLASMLA-MRXNPFEDSA-N 1 2 335.448 2.478 20 30 EEEDLO CC(C)CN1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)CCN2C1=O ZINC000488722453 468099573 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C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(Oc2ccccn2)c1 ZINC000567262916 468168106 /nfs/dbraw/zinc/16/81/06/468168106.db2.gz GYBCNEDQBWKPTQ-MRXNPFEDSA-N 1 2 326.400 2.492 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000576797294 468171839 /nfs/dbraw/zinc/17/18/39/468171839.db2.gz SVTRWQDIBQYOFM-CVEARBPZSA-N 1 2 330.432 2.215 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000577476013 468185256 /nfs/dbraw/zinc/18/52/56/468185256.db2.gz UMJAJFVJVHDBJC-SJORKVTESA-N 1 2 340.427 2.680 20 30 EEEDLO C#CC[N@@H+](CC[C@@H](C)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490740219 468245031 /nfs/dbraw/zinc/24/50/31/468245031.db2.gz JPVUTQNPKSRWCY-SJLPKXTDSA-N 1 2 335.469 2.104 20 30 EEEDLO C#CC[N@H+](CC[C@@H](C)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490740219 468245035 /nfs/dbraw/zinc/24/50/35/468245035.db2.gz JPVUTQNPKSRWCY-SJLPKXTDSA-N 1 2 335.469 2.104 20 30 EEEDLO C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000569814768 468548018 /nfs/dbraw/zinc/54/80/18/468548018.db2.gz JOWVBTJBELWRGA-IAQYHMDHSA-N 1 2 343.349 2.433 20 30 EEEDLO Cc1onc(CC(=O)NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1C#N ZINC000594356952 468560397 /nfs/dbraw/zinc/56/03/97/468560397.db2.gz KHUVQQDTMSLXEC-UHFFFAOYSA-N 1 2 349.394 2.478 20 30 EEEDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC2(CCC2)O1 ZINC000570799382 468694635 /nfs/dbraw/zinc/69/46/35/468694635.db2.gz ZUTRDBMVAQVUSW-PBHICJAKSA-N 1 2 325.412 2.307 20 30 EEEDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC2(CCC2)O1 ZINC000570799382 468694637 /nfs/dbraw/zinc/69/46/37/468694637.db2.gz ZUTRDBMVAQVUSW-PBHICJAKSA-N 1 2 325.412 2.307 20 30 EEEDLO Cc1cc(F)ccc1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000594901807 468719114 /nfs/dbraw/zinc/71/91/14/468719114.db2.gz BMDNEBJKFQJGTN-UHFFFAOYSA-N 1 2 341.386 2.048 20 30 EEEDLO C[C@H]1C[N@H+](CCNC(=O)CSCc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000598000972 468736143 /nfs/dbraw/zinc/73/61/43/468736143.db2.gz WONQRVXOKURUCO-GJZGRUSLSA-N 1 2 347.484 2.017 20 30 EEEDLO C[C@H]1C[N@@H+](CCNC(=O)CSCc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000598000972 468736150 /nfs/dbraw/zinc/73/61/50/468736150.db2.gz WONQRVXOKURUCO-GJZGRUSLSA-N 1 2 347.484 2.017 20 30 EEEDLO COc1cc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cn2)cc(OC)c1 ZINC000571772816 468838161 /nfs/dbraw/zinc/83/81/61/468838161.db2.gz NBWOPRKRKDRMNB-UHFFFAOYSA-N 1 2 340.383 2.041 20 30 EEEDLO COc1cc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cn2)cc(OC)c1 ZINC000571772816 468838167 /nfs/dbraw/zinc/83/81/67/468838167.db2.gz NBWOPRKRKDRMNB-UHFFFAOYSA-N 1 2 340.383 2.041 20 30 EEEDLO N#CCc1ccccc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000601367618 468844400 /nfs/dbraw/zinc/84/44/00/468844400.db2.gz UVAQFQLAHWVKSZ-UHFFFAOYSA-N 1 2 330.413 2.044 20 30 EEEDLO COc1ccc(CN2CC[C@@H]([N@@H+]3CCC[C@@](C)(C#N)C3)C2=O)cc1 ZINC000595424356 468848296 /nfs/dbraw/zinc/84/82/96/468848296.db2.gz HSMHCKYVQUPVJD-MJGOQNOKSA-N 1 2 327.428 2.422 20 30 EEEDLO COc1ccc(CN2CC[C@@H]([N@H+]3CCC[C@@](C)(C#N)C3)C2=O)cc1 ZINC000595424356 468848300 /nfs/dbraw/zinc/84/83/00/468848300.db2.gz HSMHCKYVQUPVJD-MJGOQNOKSA-N 1 2 327.428 2.422 20 30 EEEDLO CCn1cc(C[N@H+](CC(=O)NCc2cccc(C#N)c2)C(C)C)cn1 ZINC000593082313 468863340 /nfs/dbraw/zinc/86/33/40/468863340.db2.gz QUFNYQIFFYNYMM-UHFFFAOYSA-N 1 2 339.443 2.301 20 30 EEEDLO CCn1cc(C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C(C)C)cn1 ZINC000593082313 468863344 /nfs/dbraw/zinc/86/33/44/468863344.db2.gz QUFNYQIFFYNYMM-UHFFFAOYSA-N 1 2 339.443 2.301 20 30 EEEDLO CN(Cc1[nH]cc[nH+]1)C(=O)NCCSCc1ccccc1C#N ZINC000601546562 468914301 /nfs/dbraw/zinc/91/43/01/468914301.db2.gz MXHKCTHHZHLAIO-UHFFFAOYSA-N 1 2 329.429 2.356 20 30 EEEDLO COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595614386 468923898 /nfs/dbraw/zinc/92/38/98/468923898.db2.gz HGMUEEPTENBWLL-AWEZNQCLSA-N 1 2 329.400 2.346 20 30 EEEDLO COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595614386 468923903 /nfs/dbraw/zinc/92/39/03/468923903.db2.gz HGMUEEPTENBWLL-AWEZNQCLSA-N 1 2 329.400 2.346 20 30 EEEDLO N#Cc1ccc(CCNC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000595689919 468956209 /nfs/dbraw/zinc/95/62/09/468956209.db2.gz FVSUASMAIFCCRF-UHFFFAOYSA-N 1 2 349.438 2.023 20 30 EEEDLO N#Cc1ccc([C@H]([NH2+][C@H]2COc3c2cccc3Cl)C(N)=O)cc1 ZINC000610706381 469045175 /nfs/dbraw/zinc/04/51/75/469045175.db2.gz LKUCZVBCWJPKHI-GJZGRUSLSA-N 1 2 327.771 2.461 20 30 EEEDLO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)CC#N)c(OC)c1 ZINC000602863590 469128324 /nfs/dbraw/zinc/12/83/24/469128324.db2.gz OSHHGFUFKHMHPO-BBRMVZONSA-N 1 2 331.416 2.259 20 30 EEEDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2c(C#N)cnn2C)CC1 ZINC000596074834 469141709 /nfs/dbraw/zinc/14/17/09/469141709.db2.gz HHSAPNGIPOIEOB-UHFFFAOYSA-N 1 2 345.834 2.276 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000611124212 469169253 /nfs/dbraw/zinc/16/92/53/469169253.db2.gz MRBUDPKQPLKWQF-WMZOPIPTSA-N 1 2 349.438 2.277 20 30 EEEDLO N#Cc1nc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)sc1Cl ZINC000596163153 469181614 /nfs/dbraw/zinc/18/16/14/469181614.db2.gz SQQQXJARWIRYIO-ZYHUDNBSSA-N 1 2 326.853 2.723 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000563220467 469203713 /nfs/dbraw/zinc/20/37/13/469203713.db2.gz OOZFHMMDVITIPQ-QGZVFWFLSA-N 1 2 346.431 2.447 20 30 EEEDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000599704789 469344605 /nfs/dbraw/zinc/34/46/05/469344605.db2.gz TZCYSGZVCYQMCH-INIZCTEOSA-N 1 2 339.399 2.099 20 30 EEEDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000599704789 469344606 /nfs/dbraw/zinc/34/46/06/469344606.db2.gz TZCYSGZVCYQMCH-INIZCTEOSA-N 1 2 339.399 2.099 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000608866733 469884021 /nfs/dbraw/zinc/88/40/21/469884021.db2.gz ZPTPTVHQOLICJB-UHFFFAOYSA-N 1 2 327.409 2.365 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000608866733 469884025 /nfs/dbraw/zinc/88/40/25/469884025.db2.gz ZPTPTVHQOLICJB-UHFFFAOYSA-N 1 2 327.409 2.365 20 30 EEEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1cccc(C#N)c1 ZINC000609451184 469928316 /nfs/dbraw/zinc/92/83/16/469928316.db2.gz PQAMLWFBLOJVPT-IBGZPJMESA-N 1 2 345.406 2.188 20 30 EEEDLO CC(C)CN(CC(C)C)C(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609485773 469932486 /nfs/dbraw/zinc/93/24/86/469932486.db2.gz XDXAMBDSAVLKLN-SFHVURJKSA-N 1 2 336.524 2.293 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000609486034 469932935 /nfs/dbraw/zinc/93/29/35/469932935.db2.gz BYSHSYQJGLFFFX-NNIGNNQHSA-N 1 2 348.535 2.482 20 30 EEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000610133117 469983171 /nfs/dbraw/zinc/98/31/71/469983171.db2.gz ARPSOJMWFJGPIW-QGZVFWFLSA-N 1 2 342.443 2.111 20 30 EEEDLO N#Cc1ccc([C@@H]([NH2+][C@H](Cn2cccn2)c2ccccc2)C(N)=O)cc1 ZINC000610162516 469985232 /nfs/dbraw/zinc/98/52/32/469985232.db2.gz HRIOWANDSHLGHJ-RTBURBONSA-N 1 2 345.406 2.312 20 30 EEEDLO N#CCCn1cc(C[NH2+]Cc2nnnn2C2CC2)c(-c2ccccc2)n1 ZINC000610271810 469997805 /nfs/dbraw/zinc/99/78/05/469997805.db2.gz FGCVDULESNHDJZ-UHFFFAOYSA-N 1 2 348.414 2.075 20 30 EEEDLO COCC#CC[N@H+](C)[C@H](CO)c1cc(OC)ccc1Br ZINC000649948101 470750977 /nfs/dbraw/zinc/75/09/77/470750977.db2.gz XZFZWJZTLJHMLP-OAHLLOKOSA-N 1 2 342.233 2.073 20 30 EEEDLO COCC#CC[N@@H+](C)[C@H](CO)c1cc(OC)ccc1Br ZINC000649948101 470750981 /nfs/dbraw/zinc/75/09/81/470750981.db2.gz XZFZWJZTLJHMLP-OAHLLOKOSA-N 1 2 342.233 2.073 20 30 EEEDLO C=CCCn1cc(C[NH2+]Cc2ccccc2CN2CCCC2=O)nn1 ZINC000657306548 471092748 /nfs/dbraw/zinc/09/27/48/471092748.db2.gz MGSFKPBTIJELEY-UHFFFAOYSA-N 1 2 339.443 2.266 20 30 EEEDLO C=CC[N@@H+](CCSc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000660071057 471849696 /nfs/dbraw/zinc/84/96/96/471849696.db2.gz VPJXNBVRDFZQRQ-AWEZNQCLSA-N 1 2 341.498 2.462 20 30 EEEDLO C=CC[N@H+](CCSc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000660071057 471849704 /nfs/dbraw/zinc/84/97/04/471849704.db2.gz VPJXNBVRDFZQRQ-AWEZNQCLSA-N 1 2 341.498 2.462 20 30 EEEDLO C=CCC1(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCC1 ZINC000666125259 472314602 /nfs/dbraw/zinc/31/46/02/472314602.db2.gz WXQFWACRIJLLDV-UHFFFAOYSA-N 1 2 347.463 2.226 20 30 EEEDLO CCC#C[C@H](C)[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000677476364 486439880 /nfs/dbraw/zinc/43/98/80/486439880.db2.gz OGKIAIZOHIBVGO-HNNXBMFYSA-N 1 2 338.448 2.324 20 30 EEEDLO CCC#C[C@H](C)[N@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000677476364 486439885 /nfs/dbraw/zinc/43/98/85/486439885.db2.gz OGKIAIZOHIBVGO-HNNXBMFYSA-N 1 2 338.448 2.324 20 30 EEEDLO COCC#CC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000677477114 486440157 /nfs/dbraw/zinc/44/01/57/486440157.db2.gz QQRMGHPTUJQZKG-UHFFFAOYSA-N 1 2 343.290 2.278 20 30 EEEDLO C#C[C@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000365690784 527341342 /nfs/dbraw/zinc/34/13/42/527341342.db2.gz WBIOIMUJVSMXRE-APHBMKBZSA-N 1 2 335.835 2.033 20 30 EEEDLO C#C[C@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000365690784 527341344 /nfs/dbraw/zinc/34/13/44/527341344.db2.gz WBIOIMUJVSMXRE-APHBMKBZSA-N 1 2 335.835 2.033 20 30 EEEDLO C#Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cn1 ZINC000728817339 576533252 /nfs/dbraw/zinc/53/32/52/576533252.db2.gz JFOLDACPPNPCCS-UHFFFAOYSA-N 1 2 334.423 2.063 20 30 EEEDLO CC(C)OC1CC[NH+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000730570170 577043452 /nfs/dbraw/zinc/04/34/52/577043452.db2.gz IPHFFOLUXQKUMK-UHFFFAOYSA-N 1 2 340.427 2.309 20 30 EEEDLO C=C1CC[NH+](CC2=C(C(=O)OCC)[C@H](c3ccco3)NC(=O)N2)CC1 ZINC000731032280 577076543 /nfs/dbraw/zinc/07/65/43/577076543.db2.gz GYVRORADEPMTKB-INIZCTEOSA-N 1 2 345.399 2.103 20 30 EEEDLO C#C[C@H](NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)[C@@H]1CCCO1 ZINC000772879211 577303145 /nfs/dbraw/zinc/30/31/45/577303145.db2.gz FYHTTWGJYDGVAX-HOTGVXAUSA-N 1 2 343.452 2.173 20 30 EEEDLO Cc1cccc2[nH]c([C@@H](C#N)C(=O)C[N@@H+](C)[C@@H]3CCSC3)nc21 ZINC000774106177 577383714 /nfs/dbraw/zinc/38/37/14/577383714.db2.gz VZJARJCPQJUGFZ-OLZOCXBDSA-N 1 2 328.441 2.485 20 30 EEEDLO Cc1cccc2[nH]c([C@@H](C#N)C(=O)C[N@H+](C)[C@@H]3CCSC3)nc21 ZINC000774106177 577383717 /nfs/dbraw/zinc/38/37/17/577383717.db2.gz VZJARJCPQJUGFZ-OLZOCXBDSA-N 1 2 328.441 2.485 20 30 EEEDLO C#C[C@H]([NH2+][C@H](C)c1nc(N)nc(Nc2ccccc2)n1)[C@@H]1CCCO1 ZINC000775808257 577446538 /nfs/dbraw/zinc/44/65/38/577446538.db2.gz ZQODXGCBBAQQFW-SNPRPXQTSA-N 1 2 338.415 2.029 20 30 EEEDLO N#CCN1CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769297805 577574477 /nfs/dbraw/zinc/57/44/77/577574477.db2.gz LGDDRYFHOWITSP-UHFFFAOYSA-N 1 2 343.431 2.226 20 30 EEEDLO CCC(CC)C(=O)N1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000763230290 577717298 /nfs/dbraw/zinc/71/72/98/577717298.db2.gz GTXSNSNWZYRJAD-SFHVURJKSA-N 1 2 329.444 2.172 20 30 EEEDLO Cc1cccc(S(=O)(=O)NCc2cn3c(cccc3C)[nH+]2)c1C#N ZINC000751090399 577747956 /nfs/dbraw/zinc/74/79/56/577747956.db2.gz NZJWMEVQGGZJOQ-UHFFFAOYSA-N 1 2 340.408 2.301 20 30 EEEDLO C#C[C@H](CC)NC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000753261849 577784122 /nfs/dbraw/zinc/78/41/22/577784122.db2.gz RKIGRLFVUWZXRA-OAHLLOKOSA-N 1 2 349.862 2.458 20 30 EEEDLO CCOC(=O)[C@H]([NH2+]Cc1ccc(OCC#N)cc1)[C@H]1CCCOC1 ZINC000754255612 577803203 /nfs/dbraw/zinc/80/32/03/577803203.db2.gz BNPORVRBUYEWGK-DOTOQJQBSA-N 1 2 332.400 2.037 20 30 EEEDLO CCn1cc[nH+]c1CN=Nc1nc(Br)cn2ccnc12 ZINC000755757935 577830557 /nfs/dbraw/zinc/83/05/57/577830557.db2.gz LHNMSHDOKOANQS-UHFFFAOYSA-N 1 2 334.181 2.154 20 30 EEEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N ZINC000745081419 577908088 /nfs/dbraw/zinc/90/80/88/577908088.db2.gz YLQQGWNCFHIWHB-CQSZACIVSA-N 1 2 335.791 2.178 20 30 EEEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N ZINC000745081419 577908089 /nfs/dbraw/zinc/90/80/89/577908089.db2.gz YLQQGWNCFHIWHB-CQSZACIVSA-N 1 2 335.791 2.178 20 30 EEEDLO C=CCn1c(C)nn(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c1=S ZINC000748269468 577958562 /nfs/dbraw/zinc/95/85/62/577958562.db2.gz YEGKSJFJGMDLOQ-OAHLLOKOSA-N 1 2 338.477 2.136 20 30 EEEDLO C[N@H+](CC(F)F)C1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000749843067 577982847 /nfs/dbraw/zinc/98/28/47/577982847.db2.gz AXFLAWVXINHTKJ-UHFFFAOYSA-N 1 2 336.386 2.158 20 30 EEEDLO C[N@@H+](CC(F)F)C1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000749843067 577982848 /nfs/dbraw/zinc/98/28/48/577982848.db2.gz AXFLAWVXINHTKJ-UHFFFAOYSA-N 1 2 336.386 2.158 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(OC3CCCC3)c2)CC1 ZINC000749989493 577985307 /nfs/dbraw/zinc/98/53/07/577985307.db2.gz IAHBZNKOKLYWIR-UHFFFAOYSA-N 1 2 341.455 2.197 20 30 EEEDLO C(=[NH+]Nc1cccc(-c2nn[nH]n2)c1)c1ccc(N2CCCC2)nc1 ZINC000819718832 606916604 /nfs/dbraw/zinc/91/66/04/606916604.db2.gz SIHVMNGWTUXFSU-UHFFFAOYSA-N 1 2 334.387 2.308 20 30 EEEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](Cc2ccncc2Cl)C1 ZINC000969513673 675084902 /nfs/dbraw/zinc/08/49/02/675084902.db2.gz DQZNNHCLRGULDD-LLVKDONJSA-N 1 2 343.818 2.185 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccns2)C1 ZINC000969692480 675168729 /nfs/dbraw/zinc/16/87/29/675168729.db2.gz NQJREAHZYXRANU-WQVCFCJDSA-N 1 2 335.473 2.061 20 30 EEEDLO C[C@H](NC(=O)[C@@H]1CC12CC2)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970495306 675937349 /nfs/dbraw/zinc/93/73/49/675937349.db2.gz NOLXIYBSUDQWNU-LRDDRELGSA-N 1 2 327.403 2.434 20 30 EEEDLO Cc1conc1C(=O)N[C@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970703542 676091177 /nfs/dbraw/zinc/09/11/77/676091177.db2.gz VIXSSCVIMOIVCR-GFCCVEGCSA-N 1 2 342.374 2.244 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001067450455 676230565 /nfs/dbraw/zinc/23/05/65/676230565.db2.gz RLKMRJRNIWWFHC-HNNXBMFYSA-N 1 2 334.464 2.353 20 30 EEEDLO CCOC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000932642847 675664581 /nfs/dbraw/zinc/66/45/81/675664581.db2.gz GZDWLCHPOOAWHK-GFCCVEGCSA-N 1 2 335.791 2.035 20 30 EEEDLO CCOC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000932642847 675664582 /nfs/dbraw/zinc/66/45/82/675664582.db2.gz GZDWLCHPOOAWHK-GFCCVEGCSA-N 1 2 335.791 2.035 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC000970910041 676232563 /nfs/dbraw/zinc/23/25/63/676232563.db2.gz KKWBSZZXBGCZSI-NHYWBVRUSA-N 1 2 338.810 2.318 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccn(C(C)C)c3C)CC2)C1 ZINC000949447217 676317025 /nfs/dbraw/zinc/31/70/25/676317025.db2.gz MZLHQXZMXMSNEX-UHFFFAOYSA-N 1 2 343.471 2.318 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccn(C(C)C)c3C)CC2)C1 ZINC000949447217 676317026 /nfs/dbraw/zinc/31/70/26/676317026.db2.gz MZLHQXZMXMSNEX-UHFFFAOYSA-N 1 2 343.471 2.318 20 30 EEEDLO CS[C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971106315 676376737 /nfs/dbraw/zinc/37/67/37/676376737.db2.gz COYIZFSQXBOTHG-WBMJQRKESA-N 1 2 335.448 2.482 20 30 EEEDLO CS[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971106315 676376739 /nfs/dbraw/zinc/37/67/39/676376739.db2.gz COYIZFSQXBOTHG-WBMJQRKESA-N 1 2 335.448 2.482 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC000971500435 676601021 /nfs/dbraw/zinc/60/10/21/676601021.db2.gz KKZVDRWSGKOCMM-GJZGRUSLSA-N 1 2 337.345 2.385 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC000971500435 676601023 /nfs/dbraw/zinc/60/10/23/676601023.db2.gz KKZVDRWSGKOCMM-GJZGRUSLSA-N 1 2 337.345 2.385 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@@H]([N@H+](C)Cc3nc(C)c(C)o3)C2)c1 ZINC000972285829 678496095 /nfs/dbraw/zinc/49/60/95/678496095.db2.gz WQPZEIYICFHWIZ-QGZVFWFLSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3nc(C)c(C)o3)C2)c1 ZINC000972285829 678496097 /nfs/dbraw/zinc/49/60/97/678496097.db2.gz WQPZEIYICFHWIZ-QGZVFWFLSA-N 1 2 338.411 2.014 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c4ccccc34)C2)C1 ZINC000972456121 678779666 /nfs/dbraw/zinc/77/96/66/678779666.db2.gz RXORCDBHAXCTID-IBGZPJMESA-N 1 2 325.412 2.271 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c4ccccc34)C2)C1 ZINC000972456121 678779669 /nfs/dbraw/zinc/77/96/69/678779669.db2.gz RXORCDBHAXCTID-IBGZPJMESA-N 1 2 325.412 2.271 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccn(C(C)C)c3C)C2)C1 ZINC000972515212 679133339 /nfs/dbraw/zinc/13/33/39/679133339.db2.gz TVZJSAQACUYZHF-LJQANCHMSA-N 1 2 331.460 2.480 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccn(C(C)C)c3C)C2)C1 ZINC000972515212 679133340 /nfs/dbraw/zinc/13/33/40/679133340.db2.gz TVZJSAQACUYZHF-LJQANCHMSA-N 1 2 331.460 2.480 20 30 EEEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC001038257850 679141558 /nfs/dbraw/zinc/14/15/58/679141558.db2.gz MDLYUPPDMWJFKO-IFOPZJACSA-N 1 2 328.378 2.425 20 30 EEEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC001038257850 679141559 /nfs/dbraw/zinc/14/15/59/679141559.db2.gz MDLYUPPDMWJFKO-IFOPZJACSA-N 1 2 328.378 2.425 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@]2(C1)C[N@H+](Cc1cccnc1)CCO2 ZINC000972531407 679191972 /nfs/dbraw/zinc/19/19/72/679191972.db2.gz KPAQNOWFXQEWDP-VQTJNVASSA-N 1 2 343.471 2.487 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@]2(C1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000972531407 679191974 /nfs/dbraw/zinc/19/19/74/679191974.db2.gz KPAQNOWFXQEWDP-VQTJNVASSA-N 1 2 343.471 2.487 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(F)F)cc3)C2)C1 ZINC000972596402 679389977 /nfs/dbraw/zinc/38/99/77/679389977.db2.gz LUOSQGRFORZBRB-GOSISDBHSA-N 1 2 334.366 2.174 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(F)F)cc3)C2)C1 ZINC000972596402 679389979 /nfs/dbraw/zinc/38/99/79/679389979.db2.gz LUOSQGRFORZBRB-GOSISDBHSA-N 1 2 334.366 2.174 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(OC)c(C)c3)C2)C1 ZINC000972597721 679395481 /nfs/dbraw/zinc/39/54/81/679395481.db2.gz WWTJUFFMNNEGLJ-LJQANCHMSA-N 1 2 330.428 2.107 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(OC)c(C)c3)C2)C1 ZINC000972597721 679395483 /nfs/dbraw/zinc/39/54/83/679395483.db2.gz WWTJUFFMNNEGLJ-LJQANCHMSA-N 1 2 330.428 2.107 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cscn2)C1 ZINC001023643491 679445386 /nfs/dbraw/zinc/44/53/86/679445386.db2.gz ZPCLXNXLUSZUDL-PVAVHDDUSA-N 1 2 349.500 2.453 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC001023643491 679445387 /nfs/dbraw/zinc/44/53/87/679445387.db2.gz ZPCLXNXLUSZUDL-PVAVHDDUSA-N 1 2 349.500 2.453 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4nc(C)ccc4o3)C2)C1 ZINC000972646548 679501353 /nfs/dbraw/zinc/50/13/53/679501353.db2.gz IFMHPNQNJLANRL-IBGZPJMESA-N 1 2 341.411 2.239 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4nc(C)ccc4o3)C2)C1 ZINC000972646548 679501354 /nfs/dbraw/zinc/50/13/54/679501354.db2.gz IFMHPNQNJLANRL-IBGZPJMESA-N 1 2 341.411 2.239 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4ccccc4n3)C2)C1 ZINC000972649266 679506545 /nfs/dbraw/zinc/50/65/45/679506545.db2.gz GZWRECBMDJMGRJ-NRFANRHFSA-N 1 2 349.434 2.175 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4ccccc4n3)C2)C1 ZINC000972649266 679506546 /nfs/dbraw/zinc/50/65/46/679506546.db2.gz GZWRECBMDJMGRJ-NRFANRHFSA-N 1 2 349.434 2.175 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3sc(C)cc3C)C2)C1 ZINC000972659608 679524203 /nfs/dbraw/zinc/52/42/03/679524203.db2.gz PESYJIRHIJCJLZ-GOSISDBHSA-N 1 2 334.485 2.397 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3sc(C)cc3C)C2)C1 ZINC000972659608 679524205 /nfs/dbraw/zinc/52/42/05/679524205.db2.gz PESYJIRHIJCJLZ-GOSISDBHSA-N 1 2 334.485 2.397 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)n(C(C)C)c3C)C2)C1 ZINC000972669663 679561628 /nfs/dbraw/zinc/56/16/28/679561628.db2.gz QRSSYUDPTZAEOP-FQEVSTJZSA-N 1 2 343.471 2.236 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)n(C(C)C)c3C)C2)C1 ZINC000972669663 679561630 /nfs/dbraw/zinc/56/16/30/679561630.db2.gz QRSSYUDPTZAEOP-FQEVSTJZSA-N 1 2 343.471 2.236 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)COc3cc(C)ccc3C)C2)C1 ZINC000972676234 679586353 /nfs/dbraw/zinc/58/63/53/679586353.db2.gz GHBGQJIXYWDPRR-FQEVSTJZSA-N 1 2 344.455 2.172 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)COc3cc(C)ccc3C)C2)C1 ZINC000972676234 679586358 /nfs/dbraw/zinc/58/63/58/679586358.db2.gz GHBGQJIXYWDPRR-FQEVSTJZSA-N 1 2 344.455 2.172 20 30 EEEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)[C@@H]1CCCO1 ZINC000972783451 679776229 /nfs/dbraw/zinc/77/62/29/679776229.db2.gz PTILUDNDPWOAKM-IRXDYDNUSA-N 1 2 345.418 2.203 20 30 EEEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)[C@@H]1CCCO1 ZINC000972783451 679776230 /nfs/dbraw/zinc/77/62/30/679776230.db2.gz PTILUDNDPWOAKM-IRXDYDNUSA-N 1 2 345.418 2.203 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)[C@H]2CCCO2)c(F)c1 ZINC001024314894 679871470 /nfs/dbraw/zinc/87/14/70/679871470.db2.gz NAFYXFYYAWESIE-FUHWJXTLSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)[C@H]2CCCO2)c(F)c1 ZINC001024314894 679871471 /nfs/dbraw/zinc/87/14/71/679871471.db2.gz NAFYXFYYAWESIE-FUHWJXTLSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccns2)c1 ZINC001024381025 679885842 /nfs/dbraw/zinc/88/58/42/679885842.db2.gz WHSQABRDPSDWPH-CYBMUJFWSA-N 1 2 329.429 2.127 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccns2)c1 ZINC001024381025 679885843 /nfs/dbraw/zinc/88/58/43/679885843.db2.gz WHSQABRDPSDWPH-CYBMUJFWSA-N 1 2 329.429 2.127 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccc(F)cn2)[nH]1 ZINC001024393996 679888634 /nfs/dbraw/zinc/88/86/34/679888634.db2.gz AUAXTQPBSJKGHM-MRXNPFEDSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccc(F)cn2)[nH]1 ZINC001024393996 679888635 /nfs/dbraw/zinc/88/86/35/679888635.db2.gz AUAXTQPBSJKGHM-MRXNPFEDSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccns2)[nH]1 ZINC001024397165 679889294 /nfs/dbraw/zinc/88/92/94/679889294.db2.gz ZVHCGULQVYNSJZ-CYBMUJFWSA-N 1 2 329.429 2.127 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccns2)[nH]1 ZINC001024397165 679889295 /nfs/dbraw/zinc/88/92/95/679889295.db2.gz ZVHCGULQVYNSJZ-CYBMUJFWSA-N 1 2 329.429 2.127 20 30 EEEDLO Cc1csc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001024398826 679889647 /nfs/dbraw/zinc/88/96/47/679889647.db2.gz WTNVUGLXTKHBLF-CQSZACIVSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1csc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001024398826 679889648 /nfs/dbraw/zinc/88/96/48/679889648.db2.gz WTNVUGLXTKHBLF-CQSZACIVSA-N 1 2 343.456 2.436 20 30 EEEDLO Cn1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)n1 ZINC001024799589 681457005 /nfs/dbraw/zinc/45/70/05/681457005.db2.gz LMNZPJNMOSPNBA-QGZVFWFLSA-N 1 2 337.427 2.076 20 30 EEEDLO Cn1ccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)n1 ZINC001024799589 681457007 /nfs/dbraw/zinc/45/70/07/681457007.db2.gz LMNZPJNMOSPNBA-QGZVFWFLSA-N 1 2 337.427 2.076 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@]2(C)C[N@H+](Cc3cnon3)C[C@]2(C)C1 ZINC000982521155 681458924 /nfs/dbraw/zinc/45/89/24/681458924.db2.gz CQNOLKAHIIFFLZ-OKZBNKHCSA-N 1 2 332.448 2.342 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@]2(C)C[N@@H+](Cc3cnon3)C[C@]2(C)C1 ZINC000982521155 681458926 /nfs/dbraw/zinc/45/89/26/681458926.db2.gz CQNOLKAHIIFFLZ-OKZBNKHCSA-N 1 2 332.448 2.342 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)ccc1F ZINC001006543427 682210879 /nfs/dbraw/zinc/21/08/79/682210879.db2.gz KEGDOXHPTXRBSP-QGZVFWFLSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)ccc1F ZINC001006543427 682210884 /nfs/dbraw/zinc/21/08/84/682210884.db2.gz KEGDOXHPTXRBSP-QGZVFWFLSA-N 1 2 345.418 2.205 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C/C(Cl)=C/Cl)C2)cn1 ZINC001028941180 682521426 /nfs/dbraw/zinc/52/14/26/682521426.db2.gz URFLOKGBPFAMQY-AISSWFOISA-N 1 2 338.238 2.434 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C/C(Cl)=C/Cl)C2)cn1 ZINC001028941180 682521428 /nfs/dbraw/zinc/52/14/28/682521428.db2.gz URFLOKGBPFAMQY-AISSWFOISA-N 1 2 338.238 2.434 20 30 EEEDLO Cc1cnoc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000983552985 682848477 /nfs/dbraw/zinc/84/84/77/682848477.db2.gz GJZBUYRSDNDAOQ-UHFFFAOYSA-N 1 2 330.413 2.264 20 30 EEEDLO Cc1cnoc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000983552985 682848481 /nfs/dbraw/zinc/84/84/81/682848481.db2.gz GJZBUYRSDNDAOQ-UHFFFAOYSA-N 1 2 330.413 2.264 20 30 EEEDLO Cc1noc2ncc(C[NH+]3CCN(c4cccc(C#N)n4)CC3)cc12 ZINC000894468435 682914271 /nfs/dbraw/zinc/91/42/71/682914271.db2.gz XEKIZMAFXRVLDQ-UHFFFAOYSA-N 1 2 334.383 2.120 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000983700393 683141131 /nfs/dbraw/zinc/14/11/31/683141131.db2.gz WZMDVVBJECJIQT-CVEARBPZSA-N 1 2 344.459 2.242 20 30 EEEDLO Cc1cc(F)c(C#N)c(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000892881440 683163054 /nfs/dbraw/zinc/16/30/54/683163054.db2.gz ANSAHNQNZPBYGA-HNNXBMFYSA-N 1 2 344.434 2.139 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001025833005 683344834 /nfs/dbraw/zinc/34/48/34/683344834.db2.gz FJLCNGVSLPLZLV-PMKSJIGOSA-N 1 2 339.277 2.378 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001025833005 683344840 /nfs/dbraw/zinc/34/48/40/683344840.db2.gz FJLCNGVSLPLZLV-PMKSJIGOSA-N 1 2 339.277 2.378 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000973761103 683446063 /nfs/dbraw/zinc/44/60/63/683446063.db2.gz WKMYTMKGMRDCFX-GDBMZVCRSA-N 1 2 344.459 2.004 20 30 EEEDLO C[C@H]1[C@H](NC(=O)C(F)F)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000992949568 683678174 /nfs/dbraw/zinc/67/81/74/683678174.db2.gz PPXVVALGSMZUTN-IINYFYTJSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@H]1[C@H](NC(=O)C(F)F)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000992949568 683678176 /nfs/dbraw/zinc/67/81/76/683678176.db2.gz PPXVVALGSMZUTN-IINYFYTJSA-N 1 2 325.334 2.432 20 30 EEEDLO CCn1nccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029283778 683836503 /nfs/dbraw/zinc/83/65/03/683836503.db2.gz WXEDCISQBVELFM-KDURUIRLSA-N 1 2 348.450 2.244 20 30 EEEDLO CCn1nccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029283778 683836507 /nfs/dbraw/zinc/83/65/07/683836507.db2.gz WXEDCISQBVELFM-KDURUIRLSA-N 1 2 348.450 2.244 20 30 EEEDLO CO[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1)C1CC1 ZINC001029291679 683873450 /nfs/dbraw/zinc/87/34/50/683873450.db2.gz SDJBJWKAWORKPB-VBQJREDUSA-N 1 2 345.468 2.220 20 30 EEEDLO CO[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1)C1CC1 ZINC001029291679 683873456 /nfs/dbraw/zinc/87/34/56/683873456.db2.gz SDJBJWKAWORKPB-VBQJREDUSA-N 1 2 345.468 2.220 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](C/C(Cl)=C/Cl)C[C@H]32)cn1 ZINC001026141298 683905752 /nfs/dbraw/zinc/90/57/52/683905752.db2.gz PWVBNIVALXLMIX-RILTXOGCSA-N 1 2 336.222 2.042 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](C/C(Cl)=C/Cl)C[C@H]32)cn1 ZINC001026141298 683905757 /nfs/dbraw/zinc/90/57/57/683905757.db2.gz PWVBNIVALXLMIX-RILTXOGCSA-N 1 2 336.222 2.042 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cn[nH]c2)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000993111624 683937624 /nfs/dbraw/zinc/93/76/24/683937624.db2.gz KSETWDZKQGJKCN-YVEFUNNKSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cn[nH]c2)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000993111624 683937626 /nfs/dbraw/zinc/93/76/26/683937626.db2.gz KSETWDZKQGJKCN-YVEFUNNKSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cnsn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993124301 683957792 /nfs/dbraw/zinc/95/77/92/683957792.db2.gz ZXFRUFSIEXZWMZ-SWLSCSKDSA-N 1 2 341.440 2.193 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cnsn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993124301 683957797 /nfs/dbraw/zinc/95/77/97/683957797.db2.gz ZXFRUFSIEXZWMZ-SWLSCSKDSA-N 1 2 341.440 2.193 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)NC1CCCC1 ZINC001029422022 684481712 /nfs/dbraw/zinc/48/17/12/684481712.db2.gz QZWLHYLSFOSLKK-BHYGNILZSA-N 1 2 347.503 2.321 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)NC1CCCC1 ZINC001029422022 684481715 /nfs/dbraw/zinc/48/17/15/684481715.db2.gz QZWLHYLSFOSLKK-BHYGNILZSA-N 1 2 347.503 2.321 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2C)C(C)(C)C1 ZINC000974591556 685107700 /nfs/dbraw/zinc/10/77/00/685107700.db2.gz ZZDDLAHEGAJWTI-LLVKDONJSA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2C)C(C)(C)C1 ZINC000974591556 685107701 /nfs/dbraw/zinc/10/77/01/685107701.db2.gz ZZDDLAHEGAJWTI-LLVKDONJSA-N 1 2 331.247 2.266 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2CC)CC1 ZINC000985409017 686574392 /nfs/dbraw/zinc/57/43/92/686574392.db2.gz AIMCNYHACOMCHK-DLBZAZTESA-N 1 2 344.459 2.125 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc(C)n[nH]2)C1 ZINC001027318681 687429974 /nfs/dbraw/zinc/42/99/74/687429974.db2.gz UUURFHPVZJHGSN-GFCCVEGCSA-N 1 2 341.253 2.163 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(C)n[nH]2)C1 ZINC001027318681 687429979 /nfs/dbraw/zinc/42/99/79/687429979.db2.gz UUURFHPVZJHGSN-GFCCVEGCSA-N 1 2 341.253 2.163 20 30 EEEDLO C[N@H+](Cc1nccs1)[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001027372731 687770958 /nfs/dbraw/zinc/77/09/58/687770958.db2.gz XPTMBTFSEYGLKT-ZDUSSCGKSA-N 1 2 329.429 2.079 20 30 EEEDLO C[N@@H+](Cc1nccs1)[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001027372731 687770962 /nfs/dbraw/zinc/77/09/62/687770962.db2.gz XPTMBTFSEYGLKT-ZDUSSCGKSA-N 1 2 329.429 2.079 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC001027415731 688018022 /nfs/dbraw/zinc/01/80/22/688018022.db2.gz QMKVLHMAQWNMNK-BBWFWOEESA-N 1 2 333.432 2.079 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC001027415731 688018031 /nfs/dbraw/zinc/01/80/31/688018031.db2.gz QMKVLHMAQWNMNK-BBWFWOEESA-N 1 2 333.432 2.079 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2nocc2C)C1 ZINC001027416150 688020798 /nfs/dbraw/zinc/02/07/98/688020798.db2.gz ZZRREUDHNDPDSN-NUJGCVRESA-N 1 2 347.459 2.387 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nocc2C)C1 ZINC001027416150 688020803 /nfs/dbraw/zinc/02/08/03/688020803.db2.gz ZZRREUDHNDPDSN-NUJGCVRESA-N 1 2 347.459 2.387 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)no1 ZINC001027736384 694227799 /nfs/dbraw/zinc/22/77/99/694227799.db2.gz ATUMXQATXIYIJP-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)no1 ZINC001027736384 694227800 /nfs/dbraw/zinc/22/78/00/694227800.db2.gz ATUMXQATXIYIJP-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001060175957 694249106 /nfs/dbraw/zinc/24/91/06/694249106.db2.gz SRVTVTSERJUCBL-HZPDHXFCSA-N 1 2 346.475 2.299 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC#Cc2ccc(F)cc2)no1 ZINC001027739799 694259867 /nfs/dbraw/zinc/25/98/67/694259867.db2.gz SMLLHEFDHPOCNK-KRWDZBQOSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC#Cc2ccc(F)cc2)no1 ZINC001027739799 694259872 /nfs/dbraw/zinc/25/98/72/694259872.db2.gz SMLLHEFDHPOCNK-KRWDZBQOSA-N 1 2 341.386 2.368 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059819665 689932925 /nfs/dbraw/zinc/93/29/25/689932925.db2.gz LUBPRNRRVBHFHK-OAHLLOKOSA-N 1 2 346.475 2.299 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059819665 689932928 /nfs/dbraw/zinc/93/29/28/689932928.db2.gz LUBPRNRRVBHFHK-OAHLLOKOSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C(C)CCC(=O)NCC[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001059973900 691671448 /nfs/dbraw/zinc/67/14/48/691671448.db2.gz HRHUOISBLZSKSP-OAHLLOKOSA-N 1 2 346.475 2.398 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C2CC3(C2)CCOCC3)CC1 ZINC000989477560 691960854 /nfs/dbraw/zinc/96/08/54/691960854.db2.gz LQKHEXANXRXBON-UHFFFAOYSA-N 1 2 326.868 2.480 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C2CC3(C2)CCOCC3)CC1 ZINC000989477560 691960856 /nfs/dbraw/zinc/96/08/56/691960856.db2.gz LQKHEXANXRXBON-UHFFFAOYSA-N 1 2 326.868 2.480 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3n[nH]cc3C2)C(C)(C)C1 ZINC000977464746 692660409 /nfs/dbraw/zinc/66/04/09/692660409.db2.gz GOXXTHZZLSYUMY-SWLSCSKDSA-N 1 2 336.867 2.094 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3n[nH]cc3C2)C(C)(C)C1 ZINC000977464746 692660411 /nfs/dbraw/zinc/66/04/11/692660411.db2.gz GOXXTHZZLSYUMY-SWLSCSKDSA-N 1 2 336.867 2.094 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2Cc3cccnc3C2)C(C)(C)C1 ZINC000977515515 692713649 /nfs/dbraw/zinc/71/36/49/692713649.db2.gz RXHPGLJMRDQOGK-GOEBONIOSA-N 1 2 333.863 2.376 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2Cc3cccnc3C2)C(C)(C)C1 ZINC000977515515 692713652 /nfs/dbraw/zinc/71/36/52/692713652.db2.gz RXHPGLJMRDQOGK-GOEBONIOSA-N 1 2 333.863 2.376 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC([NH2+]Cc2noc(C3CCCCC3)n2)CC1 ZINC000990261219 692789219 /nfs/dbraw/zinc/78/92/19/692789219.db2.gz CSUOAKPRUKPSGG-CYBMUJFWSA-N 1 2 345.447 2.358 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@H]23)co1 ZINC000990290594 692800479 /nfs/dbraw/zinc/80/04/79/692800479.db2.gz XYXXRVIDCJMAAV-FUHWJXTLSA-N 1 2 339.399 2.110 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@H]23)co1 ZINC000990290594 692800482 /nfs/dbraw/zinc/80/04/82/692800482.db2.gz XYXXRVIDCJMAAV-FUHWJXTLSA-N 1 2 339.399 2.110 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)c3cc(OC)no3)CCC[C@H]12 ZINC000990332969 692822489 /nfs/dbraw/zinc/82/24/89/692822489.db2.gz WUXVTQQCSUBXOX-SWLSCSKDSA-N 1 2 325.796 2.163 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)c3cc(OC)no3)CCC[C@H]12 ZINC000990332969 692822493 /nfs/dbraw/zinc/82/24/93/692822493.db2.gz WUXVTQQCSUBXOX-SWLSCSKDSA-N 1 2 325.796 2.163 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[C@@H]([N@@H+](C)[C@@H](C)c3ncccn3)C2)c1 ZINC001027568476 693093343 /nfs/dbraw/zinc/09/33/43/693093343.db2.gz JEIFQKGIMXGRES-MAUKXSAKSA-N 1 2 349.438 2.151 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H](C)c3ncccn3)C2)c1 ZINC001027568476 693093346 /nfs/dbraw/zinc/09/33/46/693093346.db2.gz JEIFQKGIMXGRES-MAUKXSAKSA-N 1 2 349.438 2.151 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001060069984 693305070 /nfs/dbraw/zinc/30/50/70/693305070.db2.gz LLVDUNOGCJNTHJ-GJZGRUSLSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001060069984 693305077 /nfs/dbraw/zinc/30/50/77/693305077.db2.gz LLVDUNOGCJNTHJ-GJZGRUSLSA-N 1 2 346.475 2.155 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC001027612568 693502595 /nfs/dbraw/zinc/50/25/95/693502595.db2.gz LHRJVFIKOCLDAH-ULQDDVLXSA-N 1 2 333.432 2.079 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC001027612568 693502597 /nfs/dbraw/zinc/50/25/97/693502597.db2.gz LHRJVFIKOCLDAH-ULQDDVLXSA-N 1 2 333.432 2.079 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC(C)(C)C1 ZINC000990748650 693562629 /nfs/dbraw/zinc/56/26/29/693562629.db2.gz OCSZICZDYCBOEK-CQSZACIVSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)c2oncc2C)C1 ZINC001027636188 693698694 /nfs/dbraw/zinc/69/86/94/693698694.db2.gz ZDCMYDJRRNFBII-LBPRGKRZSA-N 1 2 342.237 2.428 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)c2oncc2C)C1 ZINC001027636188 693698695 /nfs/dbraw/zinc/69/86/95/693698695.db2.gz ZDCMYDJRRNFBII-LBPRGKRZSA-N 1 2 342.237 2.428 20 30 EEEDLO Cc1c[nH]cc1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001032185444 1192898094 /nfs/dbraw/zinc/89/80/94/1192898094.db2.gz NGEALRLSZJHLDP-UHFFFAOYSA-N 1 2 326.375 2.196 20 30 EEEDLO Cc1nc(NC/C=C\CNC(=O)CSCC#N)c2c([nH+]1)CCCC2 ZINC001107048883 1192998387 /nfs/dbraw/zinc/99/83/87/1192998387.db2.gz DWDATAXLNTWLKH-PLNGDYQASA-N 1 2 345.472 2.005 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000944402231 1193061943 /nfs/dbraw/zinc/06/19/43/1193061943.db2.gz ITXSUKRYRHRYTQ-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO CC1=CCC=C[C@H]1C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001269003279 1183889743 /nfs/dbraw/zinc/88/97/43/1183889743.db2.gz LRYQNBPGLNPTCG-GOSISDBHSA-N 1 2 336.439 2.063 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2ccco2)C1 ZINC001269061994 1183928757 /nfs/dbraw/zinc/92/87/57/1183928757.db2.gz VYTBLIXDCKPSGV-GJZGRUSLSA-N 1 2 333.432 2.004 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccco2)C1 ZINC001269061994 1183928761 /nfs/dbraw/zinc/92/87/61/1183928761.db2.gz VYTBLIXDCKPSGV-GJZGRUSLSA-N 1 2 333.432 2.004 20 30 EEEDLO C=C1CC(C(=O)N2CC3(C[C@@H]3C(=O)Nc3cccc4[nH+]ccn43)C2)C1 ZINC001271455215 1186248502 /nfs/dbraw/zinc/24/85/02/1186248502.db2.gz IUMJIYBQDPKYTN-CQSZACIVSA-N 1 2 336.395 2.088 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)C(C)(F)F)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088444886 1186896487 /nfs/dbraw/zinc/89/64/87/1186896487.db2.gz CDHKGWKLPFIRON-YGRLFVJLSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)C(C)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088444886 1186896492 /nfs/dbraw/zinc/89/64/92/1186896492.db2.gz CDHKGWKLPFIRON-YGRLFVJLSA-N 1 2 325.334 2.432 20 30 EEEDLO Cc1ncoc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001088508298 1187089871 /nfs/dbraw/zinc/08/98/71/1187089871.db2.gz WDQWARCVDUPFAF-WBMJQRKESA-N 1 2 342.374 2.387 20 30 EEEDLO Cc1ncoc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001088508298 1187089876 /nfs/dbraw/zinc/08/98/76/1187089876.db2.gz WDQWARCVDUPFAF-WBMJQRKESA-N 1 2 342.374 2.387 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn3c(n2)CC[C@@H](C)C3)[C@H]1C ZINC001088661169 1188065937 /nfs/dbraw/zinc/06/59/37/1188065937.db2.gz YVCWMNQLRDTTLI-BNOWGMLFSA-N 1 2 336.867 2.411 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn3c(n2)CC[C@@H](C)C3)[C@H]1C ZINC001088661169 1188065939 /nfs/dbraw/zinc/06/59/39/1188065939.db2.gz YVCWMNQLRDTTLI-BNOWGMLFSA-N 1 2 336.867 2.411 20 30 EEEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1cccc(OC(C)C)c1)C2 ZINC001272924451 1193607572 /nfs/dbraw/zinc/60/75/72/1193607572.db2.gz PARIEQNXFDDYSQ-UHFFFAOYSA-N 1 2 344.455 2.463 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CCC[C@@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001105689157 1189333425 /nfs/dbraw/zinc/33/34/25/1189333425.db2.gz LFTZIABWJXDSPH-HUUCEWRRSA-N 1 2 346.479 2.299 20 30 EEEDLO C#CCN1C(=O)COCC12C[NH+](Cc1cccc(C(C)(C)C)c1)C2 ZINC001272371800 1190789950 /nfs/dbraw/zinc/78/99/50/1190789950.db2.gz JQBDDHOHYDFIRP-UHFFFAOYSA-N 1 2 326.440 2.031 20 30 EEEDLO N#CCCCN1CC[C@@]2(CC[N@@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001272617277 1190932586 /nfs/dbraw/zinc/93/25/86/1190932586.db2.gz WACOADINFDSUGB-GOSISDBHSA-N 1 2 349.381 2.399 20 30 EEEDLO N#CCCCN1CC[C@@]2(CC[N@H+](Cc3c(O)cc(F)cc3F)C2)C1=O ZINC001272617277 1190932589 /nfs/dbraw/zinc/93/25/89/1190932589.db2.gz WACOADINFDSUGB-GOSISDBHSA-N 1 2 349.381 2.399 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCc2ccc(C)cc2C)C1 ZINC001108106811 1194439134 /nfs/dbraw/zinc/43/91/34/1194439134.db2.gz HFUNVPXLOHKFQQ-NRFANRHFSA-N 1 2 342.483 2.466 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCc2ccc(C)cc2C)C1 ZINC001108106811 1194439137 /nfs/dbraw/zinc/43/91/37/1194439137.db2.gz HFUNVPXLOHKFQQ-NRFANRHFSA-N 1 2 342.483 2.466 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ncc(C)s3)C2)c1 ZINC001033404685 1194548500 /nfs/dbraw/zinc/54/85/00/1194548500.db2.gz DXGPJVUZRYTFAH-MRXNPFEDSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ncc(C)s3)C2)c1 ZINC001033404685 1194548502 /nfs/dbraw/zinc/54/85/02/1194548502.db2.gz DXGPJVUZRYTFAH-MRXNPFEDSA-N 1 2 340.452 2.174 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC001033435368 1194559532 /nfs/dbraw/zinc/55/95/32/1194559532.db2.gz LOPKAQLYLZOJKC-OAGGEKHMSA-N 1 2 347.459 2.422 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ncc(C(C)C)o2)C1 ZINC001033435368 1194559536 /nfs/dbraw/zinc/55/95/36/1194559536.db2.gz LOPKAQLYLZOJKC-OAGGEKHMSA-N 1 2 347.459 2.422 20 30 EEEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sc(N(C)C)nc1C ZINC001018033633 1224238077 /nfs/dbraw/zinc/23/80/77/1224238077.db2.gz AJKIIELPBPBKEU-OKILXGFUSA-N 1 2 334.489 2.382 20 30 EEEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sc(N(C)C)nc1C ZINC001018033633 1224238086 /nfs/dbraw/zinc/23/80/86/1224238086.db2.gz AJKIIELPBPBKEU-OKILXGFUSA-N 1 2 334.489 2.382 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3nc(C)c(C)o3)C2)nc1 ZINC001033592631 1194921501 /nfs/dbraw/zinc/92/15/01/1194921501.db2.gz HVAUOBHQEAYOHM-MRXNPFEDSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3nc(C)c(C)o3)C2)nc1 ZINC001033592631 1194921502 /nfs/dbraw/zinc/92/15/02/1194921502.db2.gz HVAUOBHQEAYOHM-MRXNPFEDSA-N 1 2 338.411 2.014 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001033625615 1194969709 /nfs/dbraw/zinc/96/97/09/1194969709.db2.gz WHCMSYKTBBCJDE-GXTWGEPZSA-N 1 2 336.867 2.364 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001033625615 1194969710 /nfs/dbraw/zinc/96/97/10/1194969710.db2.gz WHCMSYKTBBCJDE-GXTWGEPZSA-N 1 2 336.867 2.364 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(NC(N)=O)c2)C1 ZINC001033650412 1195016905 /nfs/dbraw/zinc/01/69/05/1195016905.db2.gz IHYHLKCBDIIYPL-CQSZACIVSA-N 1 2 336.823 2.076 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(NC(N)=O)c2)C1 ZINC001033650412 1195016909 /nfs/dbraw/zinc/01/69/09/1195016909.db2.gz IHYHLKCBDIIYPL-CQSZACIVSA-N 1 2 336.823 2.076 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001033726594 1195138266 /nfs/dbraw/zinc/13/82/66/1195138266.db2.gz CNZWEPJLGBLULE-NSHDSACASA-N 1 2 335.791 2.432 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3[nH]c(=O)oc32)C1 ZINC001033726594 1195138269 /nfs/dbraw/zinc/13/82/69/1195138269.db2.gz CNZWEPJLGBLULE-NSHDSACASA-N 1 2 335.791 2.432 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001033801273 1195301809 /nfs/dbraw/zinc/30/18/09/1195301809.db2.gz NYPGHZHTMNNAAD-AWEZNQCLSA-N 1 2 343.456 2.388 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001033801273 1195301810 /nfs/dbraw/zinc/30/18/10/1195301810.db2.gz NYPGHZHTMNNAAD-AWEZNQCLSA-N 1 2 343.456 2.388 20 30 EEEDLO C#Cc1cncc(C(=O)N(CC)[C@H]2CC[N@@H+]([C@@H](C)c3ncccn3)C2)c1 ZINC001033953992 1195548489 /nfs/dbraw/zinc/54/84/89/1195548489.db2.gz APOJQLJGLKFLKC-YJBOKZPZSA-N 1 2 349.438 2.151 20 30 EEEDLO C#Cc1cncc(C(=O)N(CC)[C@H]2CC[N@H+]([C@@H](C)c3ncccn3)C2)c1 ZINC001033953992 1195548491 /nfs/dbraw/zinc/54/84/91/1195548491.db2.gz APOJQLJGLKFLKC-YJBOKZPZSA-N 1 2 349.438 2.151 20 30 EEEDLO C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2n[nH]c(C(F)(F)F)c2C)C1 ZINC001033978526 1195596108 /nfs/dbraw/zinc/59/61/08/1195596108.db2.gz ZSMCBIZAOUXXMX-LLVKDONJSA-N 1 2 330.354 2.459 20 30 EEEDLO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2n[nH]c(C(F)(F)F)c2C)C1 ZINC001033978526 1195596111 /nfs/dbraw/zinc/59/61/11/1195596111.db2.gz ZSMCBIZAOUXXMX-LLVKDONJSA-N 1 2 330.354 2.459 20 30 EEEDLO C=CC[NH+]1CCC(N(C)C(=O)c2cc(-c3ccn(C)c3)[nH]n2)CC1 ZINC001005492082 1195597567 /nfs/dbraw/zinc/59/75/67/1195597567.db2.gz JCEMGBKQKOZSBL-UHFFFAOYSA-N 1 2 327.432 2.138 20 30 EEEDLO CCN(C(=O)c1ccncn1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033988637 1195603957 /nfs/dbraw/zinc/60/39/57/1195603957.db2.gz NYLPFFFERHVXGV-KRWDZBQOSA-N 1 2 335.411 2.085 20 30 EEEDLO CCN(C(=O)c1ccncn1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033988637 1195603961 /nfs/dbraw/zinc/60/39/61/1195603961.db2.gz NYLPFFFERHVXGV-KRWDZBQOSA-N 1 2 335.411 2.085 20 30 EEEDLO C=CCCn1cc(C(=O)N[C@@H]2CCCC[N@@H+](CC(=C)Cl)C2)nn1 ZINC001034433115 1196229330 /nfs/dbraw/zinc/22/93/30/1196229330.db2.gz NAMREOACXDVANZ-CQSZACIVSA-N 1 2 337.855 2.191 20 30 EEEDLO C=CCCn1cc(C(=O)N[C@@H]2CCCC[N@H+](CC(=C)Cl)C2)nn1 ZINC001034433115 1196229333 /nfs/dbraw/zinc/22/93/33/1196229333.db2.gz NAMREOACXDVANZ-CQSZACIVSA-N 1 2 337.855 2.191 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001034436651 1196232114 /nfs/dbraw/zinc/23/21/14/1196232114.db2.gz NOSQEUBDTJPDAX-LBPRGKRZSA-N 1 2 341.253 2.211 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001034436651 1196232116 /nfs/dbraw/zinc/23/21/16/1196232116.db2.gz NOSQEUBDTJPDAX-LBPRGKRZSA-N 1 2 341.253 2.211 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3ncc(C)o3)C2)cn1 ZINC001034500022 1196323990 /nfs/dbraw/zinc/32/39/90/1196323990.db2.gz ZHMFPUJIOMVWAP-QGZVFWFLSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](Cc3ncc(C)o3)C2)cn1 ZINC001034500022 1196323995 /nfs/dbraw/zinc/32/39/95/1196323995.db2.gz ZHMFPUJIOMVWAP-QGZVFWFLSA-N 1 2 338.411 2.144 20 30 EEEDLO Cc1nonc1C(=O)N[C@H]1CCCC[N@H+](Cc2ccccc2C#N)C1 ZINC001034554697 1196387127 /nfs/dbraw/zinc/38/71/27/1196387127.db2.gz SXHABEYGRHKMIF-INIZCTEOSA-N 1 2 339.399 2.034 20 30 EEEDLO Cc1nonc1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001034554697 1196387129 /nfs/dbraw/zinc/38/71/29/1196387129.db2.gz SXHABEYGRHKMIF-INIZCTEOSA-N 1 2 339.399 2.034 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC2CCCC2)c1 ZINC001018108494 1224345667 /nfs/dbraw/zinc/34/56/67/1224345667.db2.gz OXQAUYDBIAGHHT-KDURUIRLSA-N 1 2 340.471 2.385 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC2CCCC2)c1 ZINC001018108494 1224345675 /nfs/dbraw/zinc/34/56/75/1224345675.db2.gz OXQAUYDBIAGHHT-KDURUIRLSA-N 1 2 340.471 2.385 20 30 EEEDLO N#CCCCOc1cccc(NC(=O)/C=C\C[NH+]2CCOCC2)c1 ZINC000864932956 1198004469 /nfs/dbraw/zinc/00/44/69/1198004469.db2.gz AOJSJKZSOMCUCS-DAXSKMNVSA-N 1 2 329.400 2.196 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OC)c1OC ZINC001018214097 1224478354 /nfs/dbraw/zinc/47/83/54/1224478354.db2.gz YLXURJIQJKYECE-GASCZTMLSA-N 1 2 328.412 2.016 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OC)c1OC ZINC001018214097 1224478357 /nfs/dbraw/zinc/47/83/57/1224478357.db2.gz YLXURJIQJKYECE-GASCZTMLSA-N 1 2 328.412 2.016 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3ccsn3)C2)ccc1F ZINC001014876199 1224478691 /nfs/dbraw/zinc/47/86/91/1224478691.db2.gz XBARBGGYQYIGAC-CYBMUJFWSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)c3ccsn3)C2)ccc1F ZINC001014876199 1224478695 /nfs/dbraw/zinc/47/86/95/1224478695.db2.gz XBARBGGYQYIGAC-CYBMUJFWSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC3(F)F)C2)c(F)c1 ZINC001014889949 1224499600 /nfs/dbraw/zinc/49/96/00/1224499600.db2.gz LIJCOEKSUQBYFZ-KBPBESRZSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC3(F)F)C2)c(F)c1 ZINC001014889949 1224499605 /nfs/dbraw/zinc/49/96/05/1224499605.db2.gz LIJCOEKSUQBYFZ-KBPBESRZSA-N 1 2 337.345 2.433 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)CC2(O)CCC2)CC[C@H]1C ZINC001132016770 1199211410 /nfs/dbraw/zinc/21/14/10/1199211410.db2.gz JPVKNVCQZPELRH-OLZOCXBDSA-N 1 2 345.281 2.169 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CC2(O)CCC2)CC[C@H]1C ZINC001132016770 1199211412 /nfs/dbraw/zinc/21/14/12/1199211412.db2.gz JPVKNVCQZPELRH-OLZOCXBDSA-N 1 2 345.281 2.169 20 30 EEEDLO Cc1ccccc1CN(C)C(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000876027897 1199475430 /nfs/dbraw/zinc/47/54/30/1199475430.db2.gz WNDZEWUEAUMIBY-UHFFFAOYSA-N 1 2 329.375 2.430 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001132250244 1199479774 /nfs/dbraw/zinc/47/97/74/1199479774.db2.gz ZLMUXFDWRYODDI-CABCVRRESA-N 1 2 348.443 2.474 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001132250244 1199479777 /nfs/dbraw/zinc/47/97/77/1199479777.db2.gz ZLMUXFDWRYODDI-CABCVRRESA-N 1 2 348.443 2.474 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCS(=O)(=O)CC)C1 ZINC001132256518 1199496513 /nfs/dbraw/zinc/49/65/13/1199496513.db2.gz NZHZSUOEYWIJSF-HZPDHXFCSA-N 1 2 344.521 2.137 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCS(=O)(=O)CC)C1 ZINC001132256518 1199496515 /nfs/dbraw/zinc/49/65/15/1199496515.db2.gz NZHZSUOEYWIJSF-HZPDHXFCSA-N 1 2 344.521 2.137 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(=O)NCC3CC3)C2)CCC1 ZINC001132281197 1199513684 /nfs/dbraw/zinc/51/36/84/1199513684.db2.gz ABXNCFYEBVRCCL-DOTOQJQBSA-N 1 2 347.503 2.228 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=O)NCC3CC3)C2)CCC1 ZINC001132281197 1199513689 /nfs/dbraw/zinc/51/36/89/1199513689.db2.gz ABXNCFYEBVRCCL-DOTOQJQBSA-N 1 2 347.503 2.228 20 30 EEEDLO COc1cccc([C@@H]2CN(C(=O)c3sccc3C#N)CC[NH2+]2)c1 ZINC000870149980 1200511791 /nfs/dbraw/zinc/51/17/91/1200511791.db2.gz PBIAWWHCXDZNEM-HNNXBMFYSA-N 1 2 327.409 2.415 20 30 EEEDLO C#C[C@H](NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)C(C)(C)C ZINC000878973670 1200780397 /nfs/dbraw/zinc/78/03/97/1200780397.db2.gz RRMCCAYZFBTMTM-HNNXBMFYSA-N 1 2 330.432 2.396 20 30 EEEDLO C=C1CCC(C(=O)NCC[NH2+]Cc2noc(-c3ccoc3)n2)CC1 ZINC001133365510 1200798601 /nfs/dbraw/zinc/79/86/01/1200798601.db2.gz UZLUPRWQRLSNPN-UHFFFAOYSA-N 1 2 330.388 2.282 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)c2ccccc2C(F)(F)F)nn1 ZINC000881410656 1201695270 /nfs/dbraw/zinc/69/52/70/1201695270.db2.gz OEOMMZLOGCXOBR-HNNXBMFYSA-N 1 2 338.333 2.143 20 30 EEEDLO C=CCC1(O)CC[NH+](CN2C(=O)N[C@@]3(C2=O)[C@H](C)CCC[C@@H]3C)CC1 ZINC000884478907 1202324956 /nfs/dbraw/zinc/32/49/56/1202324956.db2.gz PPEJBAHFSZJEHE-QWHZDKJVSA-N 1 2 349.475 2.094 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)cc(Cl)c1O ZINC001274441556 1205037604 /nfs/dbraw/zinc/03/76/04/1205037604.db2.gz DOPMVXIEGOROPO-HUUCEWRRSA-N 1 2 336.794 2.383 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)cc(Cl)c1O ZINC001274441556 1205037606 /nfs/dbraw/zinc/03/76/06/1205037606.db2.gz DOPMVXIEGOROPO-HUUCEWRRSA-N 1 2 336.794 2.383 20 30 EEEDLO C=CCN1CC[C@@]2(CCCN2c2nc(NC(C)C)c(C)c[nH+]2)C1=O ZINC001274725853 1205144295 /nfs/dbraw/zinc/14/42/95/1205144295.db2.gz FVPOTDGIOZMXSS-SFHVURJKSA-N 1 2 329.448 2.363 20 30 EEEDLO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(C#N)CCOCC2)o1 ZINC001275239562 1205289143 /nfs/dbraw/zinc/28/91/43/1205289143.db2.gz FKIWZTYQGKSARG-IYBDPMFKSA-N 1 2 343.427 2.084 20 30 EEEDLO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(C#N)CCOCC2)o1 ZINC001275239562 1205289145 /nfs/dbraw/zinc/28/91/45/1205289145.db2.gz FKIWZTYQGKSARG-IYBDPMFKSA-N 1 2 343.427 2.084 20 30 EEEDLO N#Cc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccc[nH]4)C[C@H](C2)O3)cc1F ZINC001275326765 1205309572 /nfs/dbraw/zinc/30/95/72/1205309572.db2.gz CAWHFSNPNBPCOB-HDICACEKSA-N 1 2 340.402 2.111 20 30 EEEDLO N#Cc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccc[nH]4)C[C@H](C2)O3)cc1F ZINC001275326765 1205309575 /nfs/dbraw/zinc/30/95/75/1205309575.db2.gz CAWHFSNPNBPCOB-HDICACEKSA-N 1 2 340.402 2.111 20 30 EEEDLO N#Cc1cc(C(=O)N2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)ccc1Cl ZINC001275730983 1205501859 /nfs/dbraw/zinc/50/18/59/1205501859.db2.gz BFZWGOPCBSLTFL-UHFFFAOYSA-N 1 2 340.814 2.498 20 30 EEEDLO C[C@@H](C(=O)N1CCC[C@H](C#N)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000928224620 1206361528 /nfs/dbraw/zinc/36/15/28/1206361528.db2.gz NXMFLPBVXUCELC-JKSUJKDBSA-N 1 2 344.434 2.098 20 30 EEEDLO C[C@H](CC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)n1cc[nH+]c1 ZINC000928719516 1206415135 /nfs/dbraw/zinc/41/51/35/1206415135.db2.gz HGTFHMRRVWLHDI-GDBMZVCRSA-N 1 2 338.415 2.204 20 30 EEEDLO COc1ncc(NC(=O)NCC[NH+]2Cc3ccccc3C2)cc1C#N ZINC000932510319 1207619804 /nfs/dbraw/zinc/61/98/04/1207619804.db2.gz HMVCDHIJJIOTCJ-UHFFFAOYSA-N 1 2 337.383 2.099 20 30 EEEDLO CCn1c[nH+]c2c1CCN(Cc1nnc(-c3cccc(C#N)c3)o1)C2 ZINC000933259027 1207748934 /nfs/dbraw/zinc/74/89/34/1207748934.db2.gz KYTSJZATKBBECJ-UHFFFAOYSA-N 1 2 334.383 2.383 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ncoc2C)C[C@@H]1C ZINC000947109403 1207865213 /nfs/dbraw/zinc/86/52/13/1207865213.db2.gz VAFPWEOQNPIZRE-JQWIXIFHSA-N 1 2 342.237 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ncoc2C)C[C@@H]1C ZINC000947109403 1207865216 /nfs/dbraw/zinc/86/52/16/1207865216.db2.gz VAFPWEOQNPIZRE-JQWIXIFHSA-N 1 2 342.237 2.474 20 30 EEEDLO CN(CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ncccc1C#N ZINC001095773554 1208506023 /nfs/dbraw/zinc/50/60/23/1208506023.db2.gz PHLKHAUDRPDAHB-UHFFFAOYSA-N 1 2 334.383 2.086 20 30 EEEDLO C=C1CCC(C(=O)N2CCC(NC(=O)Cc3[nH]c[nH+]c3C)CC2)CC1 ZINC000948199885 1208938339 /nfs/dbraw/zinc/93/83/39/1208938339.db2.gz VMZDIPVYESTUGS-UHFFFAOYSA-N 1 2 344.459 2.114 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3cnn(CC)n3)CC2)C1 ZINC000948752748 1209348085 /nfs/dbraw/zinc/34/80/85/1209348085.db2.gz BWJHUUHAXXUBAQ-QGZVFWFLSA-N 1 2 345.491 2.467 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3cnn(CC)n3)CC2)C1 ZINC000948752748 1209348090 /nfs/dbraw/zinc/34/80/90/1209348090.db2.gz BWJHUUHAXXUBAQ-QGZVFWFLSA-N 1 2 345.491 2.467 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccnn1C(F)F ZINC000948919857 1209452826 /nfs/dbraw/zinc/45/28/26/1209452826.db2.gz SAIKDUJKZHRKBT-INIZCTEOSA-N 1 2 344.365 2.241 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccnn1C(F)F ZINC000948919857 1209452827 /nfs/dbraw/zinc/45/28/27/1209452827.db2.gz SAIKDUJKZHRKBT-INIZCTEOSA-N 1 2 344.365 2.241 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)nnc1CC ZINC000948932618 1209459769 /nfs/dbraw/zinc/45/97/69/1209459769.db2.gz LMEKZNQNFVDFQI-HXUWFJFHSA-N 1 2 348.450 2.310 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)nnc1CC ZINC000948932618 1209459770 /nfs/dbraw/zinc/45/97/70/1209459770.db2.gz LMEKZNQNFVDFQI-HXUWFJFHSA-N 1 2 348.450 2.310 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(OC)nc1 ZINC000948934958 1209461596 /nfs/dbraw/zinc/46/15/96/1209461596.db2.gz AHJOSFKBEQVADC-LJQANCHMSA-N 1 2 349.434 2.443 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(OC)nc1 ZINC000948934958 1209461597 /nfs/dbraw/zinc/46/15/97/1209461597.db2.gz AHJOSFKBEQVADC-LJQANCHMSA-N 1 2 349.434 2.443 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(C)ccc3F)CC2)C1 ZINC000949479723 1209707310 /nfs/dbraw/zinc/70/73/10/1209707310.db2.gz DXMAMMSHSGVNFP-UHFFFAOYSA-N 1 2 330.403 2.074 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc(C)ccc3F)CC2)C1 ZINC000949479723 1209707314 /nfs/dbraw/zinc/70/73/14/1209707314.db2.gz DXMAMMSHSGVNFP-UHFFFAOYSA-N 1 2 330.403 2.074 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H](C)c3ccco3)CC2)C1 ZINC000949512214 1209721128 /nfs/dbraw/zinc/72/11/28/1209721128.db2.gz QYHYMMLYSYCUOO-MRXNPFEDSA-N 1 2 330.428 2.100 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H](C)c3ccco3)CC2)C1 ZINC000949512214 1209721132 /nfs/dbraw/zinc/72/11/32/1209721132.db2.gz QYHYMMLYSYCUOO-MRXNPFEDSA-N 1 2 330.428 2.100 20 30 EEEDLO C[C@H]1C[C@@H]1CC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000950032794 1209990796 /nfs/dbraw/zinc/99/07/96/1209990796.db2.gz BKKRTFZSKUSXFB-DOTOQJQBSA-N 1 2 327.428 2.279 20 30 EEEDLO CC(C)n1cnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001015388492 1225182725 /nfs/dbraw/zinc/18/27/25/1225182725.db2.gz JFWBGLJTZQQJRE-QGZVFWFLSA-N 1 2 337.427 2.340 20 30 EEEDLO CC(C)n1cnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001015388492 1225182729 /nfs/dbraw/zinc/18/27/29/1225182729.db2.gz JFWBGLJTZQQJRE-QGZVFWFLSA-N 1 2 337.427 2.340 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC000950486927 1210241836 /nfs/dbraw/zinc/24/18/36/1210241836.db2.gz QEYGCYJCLNSZDC-UHFFFAOYSA-N 1 2 327.432 2.138 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC000950533483 1210264323 /nfs/dbraw/zinc/26/43/23/1210264323.db2.gz HUIHOPDQGHSMON-RTBURBONSA-N 1 2 344.455 2.252 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2COc3ccc(F)cc3C2)C1 ZINC000950881894 1210482027 /nfs/dbraw/zinc/48/20/27/1210482027.db2.gz CTPBTEDSZDUGOY-OAHLLOKOSA-N 1 2 332.419 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1223899898 /nfs/dbraw/zinc/89/98/98/1223899898.db2.gz BYCGMGSSKBWEHU-LLVKDONJSA-N 1 2 332.454 2.389 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)ns1 ZINC001010771443 1223899900 /nfs/dbraw/zinc/89/99/00/1223899900.db2.gz BYCGMGSSKBWEHU-LLVKDONJSA-N 1 2 332.454 2.389 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@]2(NC(=O)Cc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001014440507 1226620209 /nfs/dbraw/zinc/62/02/09/1226620209.db2.gz ZHSIUTXFLZEODO-NIKGAXFTSA-N 1 2 344.459 2.194 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccn(C(F)F)n2)C1 ZINC001014572328 1226791624 /nfs/dbraw/zinc/79/16/24/1226791624.db2.gz OYSMOLBHWIXEFM-CQSZACIVSA-N 1 2 345.353 2.154 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccn(C(F)F)n2)C1 ZINC001014572328 1226791626 /nfs/dbraw/zinc/79/16/26/1226791626.db2.gz OYSMOLBHWIXEFM-CQSZACIVSA-N 1 2 345.353 2.154 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001058261205 1248770753 /nfs/dbraw/zinc/77/07/53/1248770753.db2.gz KVMRDTHRGDPMJP-OAHLLOKOSA-N 1 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N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cnn(C3CCC3)c2)c1 ZINC001038256407 1229707717 /nfs/dbraw/zinc/70/77/17/1229707717.db2.gz SHPZMWZNRWXQAA-LJQANCHMSA-N 1 2 349.438 2.484 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+]1Cc1conc1CC ZINC001038352416 1229763908 /nfs/dbraw/zinc/76/39/08/1229763908.db2.gz GRCGAJVQTLOHPI-HNNXBMFYSA-N 1 2 328.416 2.229 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1conc1CC ZINC001038352416 1229763911 /nfs/dbraw/zinc/76/39/11/1229763911.db2.gz GRCGAJVQTLOHPI-HNNXBMFYSA-N 1 2 328.416 2.229 20 30 EEEDLO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c2ccccc2c1=O ZINC001038445284 1229827899 /nfs/dbraw/zinc/82/78/99/1229827899.db2.gz IMCZBRQHDTVHPJ-CQSZACIVSA-N 1 2 325.412 2.298 20 30 EEEDLO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c2ccccc2c1=O ZINC001038445284 1229827906 /nfs/dbraw/zinc/82/79/06/1229827906.db2.gz IMCZBRQHDTVHPJ-CQSZACIVSA-N 1 2 325.412 2.298 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cocc2C)cc1C#N ZINC001038586581 1229929728 /nfs/dbraw/zinc/92/97/28/1229929728.db2.gz JYGCJRAFGJMYDY-INIZCTEOSA-N 1 2 339.395 2.473 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cocc2C)cc1C#N ZINC001038586581 1229929732 /nfs/dbraw/zinc/92/97/32/1229929732.db2.gz JYGCJRAFGJMYDY-INIZCTEOSA-N 1 2 339.395 2.473 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2[C@H](C)C(=O)NC2CCCC2)CC1 ZINC001038664936 1229961366 /nfs/dbraw/zinc/96/13/66/1229961366.db2.gz APWPRNUBRKSJBV-CRAIPNDOSA-N 1 2 347.503 2.371 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2[C@H](C)C(=O)NC2CCCC2)CC1 ZINC001038664936 1229961371 /nfs/dbraw/zinc/96/13/71/1229961371.db2.gz APWPRNUBRKSJBV-CRAIPNDOSA-N 1 2 347.503 2.371 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]2[C@H](C)c2cccc(F)c2)nn1 ZINC001038783532 1230053174 /nfs/dbraw/zinc/05/31/74/1230053174.db2.gz PWEKSLSOYPKVLY-CZUORRHYSA-N 1 2 343.406 2.169 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+]2[C@H](C)c2cccc(F)c2)nn1 ZINC001038783532 1230053176 /nfs/dbraw/zinc/05/31/76/1230053176.db2.gz PWEKSLSOYPKVLY-CZUORRHYSA-N 1 2 343.406 2.169 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cnn(C(F)F)c2)cc1 ZINC001038845823 1230105290 /nfs/dbraw/zinc/10/52/90/1230105290.db2.gz NTRVNROPIPGABA-OAHLLOKOSA-N 1 2 345.353 2.154 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cnn(C(F)F)c2)cc1 ZINC001038845823 1230105291 /nfs/dbraw/zinc/10/52/91/1230105291.db2.gz NTRVNROPIPGABA-OAHLLOKOSA-N 1 2 345.353 2.154 20 30 EEEDLO Cc1nc[nH]c1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001040027629 1230970285 /nfs/dbraw/zinc/97/02/85/1230970285.db2.gz HYVMUQLXJYVHDY-HDICACEKSA-N 1 2 349.438 2.469 20 30 EEEDLO Cc1nc[nH]c1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001040027629 1230970289 /nfs/dbraw/zinc/97/02/89/1230970289.db2.gz HYVMUQLXJYVHDY-HDICACEKSA-N 1 2 349.438 2.469 20 30 EEEDLO C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc(C4CC4)[nH]n3)C2)C1 ZINC001040417831 1231219298 /nfs/dbraw/zinc/21/92/98/1231219298.db2.gz IROXQTAVRKNFES-LJQANCHMSA-N 1 2 326.444 2.239 20 30 EEEDLO C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(C4CC4)[nH]n3)C2)C1 ZINC001040417831 1231219300 /nfs/dbraw/zinc/21/93/00/1231219300.db2.gz IROXQTAVRKNFES-LJQANCHMSA-N 1 2 326.444 2.239 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](Cc4ncccn4)[C@@H]3C2)cc1 ZINC001042180777 1231940281 /nfs/dbraw/zinc/94/02/81/1231940281.db2.gz YAYOMWOKWBBHAW-IEBWSBKVSA-N 1 2 346.434 2.195 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ncccn4)[C@@H]3C2)cc1 ZINC001042180777 1231940282 /nfs/dbraw/zinc/94/02/82/1231940282.db2.gz YAYOMWOKWBBHAW-IEBWSBKVSA-N 1 2 346.434 2.195 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2CO[C@H](C)C2)CC1 ZINC001045490573 1233776340 /nfs/dbraw/zinc/77/63/40/1233776340.db2.gz RHYYJXLJEGDRQU-OLZOCXBDSA-N 1 2 345.281 2.291 20 30 EEEDLO C#Cc1cncc(C(=O)NC2(C)CC[NH+](Cc3ncc(C)o3)CC2)c1 ZINC001045551430 1233813048 /nfs/dbraw/zinc/81/30/48/1233813048.db2.gz KNPWNHODTYOITL-UHFFFAOYSA-N 1 2 338.411 2.144 20 30 EEEDLO Cc1ncc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)[nH]1 ZINC001045733164 1233936918 /nfs/dbraw/zinc/93/69/18/1233936918.db2.gz DJPGREDABPPUDF-MOPGFXCFSA-N 1 2 348.450 2.449 20 30 EEEDLO Cc1ncc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)[nH]1 ZINC001045733164 1233936921 /nfs/dbraw/zinc/93/69/21/1233936921.db2.gz DJPGREDABPPUDF-MOPGFXCFSA-N 1 2 348.450 2.449 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(CC)nn1 ZINC001045840828 1234055902 /nfs/dbraw/zinc/05/59/02/1234055902.db2.gz QYCMCSOGWVOXQV-AOIWGVFYSA-N 1 2 345.491 2.466 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(CC)nn1 ZINC001045840828 1234055905 /nfs/dbraw/zinc/05/59/05/1234055905.db2.gz QYCMCSOGWVOXQV-AOIWGVFYSA-N 1 2 345.491 2.466 20 30 EEEDLO Cc1c(Cl)cccc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046031036 1234347103 /nfs/dbraw/zinc/34/71/03/1234347103.db2.gz IQKZANYPUBXSNB-OAHLLOKOSA-N 1 2 346.862 2.004 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnc3[nH]c(C)nc3c2)C1 ZINC001046361099 1234707871 /nfs/dbraw/zinc/70/78/71/1234707871.db2.gz BPISRLKZSXIYFG-INIZCTEOSA-N 1 2 333.823 2.213 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnc3[nH]c(C)nc3c2)C1 ZINC001046361099 1234707874 /nfs/dbraw/zinc/70/78/74/1234707874.db2.gz BPISRLKZSXIYFG-INIZCTEOSA-N 1 2 333.823 2.213 20 30 EEEDLO N#Cc1ccc(N[C@H]2C[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cn1 ZINC001046646744 1235031026 /nfs/dbraw/zinc/03/10/26/1235031026.db2.gz DAEBAJYWHFFQOZ-DRQUAOQDSA-N 1 2 346.394 2.450 20 30 EEEDLO C[C@]1(NC(=O)c2nccs2)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046724389 1235114665 /nfs/dbraw/zinc/11/46/65/1235114665.db2.gz KVEOTRQUFFSFLV-HNNXBMFYSA-N 1 2 332.454 2.471 20 30 EEEDLO C[C@]1(NC(=O)c2nccs2)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046724389 1235114667 /nfs/dbraw/zinc/11/46/67/1235114667.db2.gz KVEOTRQUFFSFLV-HNNXBMFYSA-N 1 2 332.454 2.471 20 30 EEEDLO C[C@@]1(NC(=O)c2nccs2)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046724660 1235115513 /nfs/dbraw/zinc/11/55/13/1235115513.db2.gz NXSATCPZGSMUSA-GOSISDBHSA-N 1 2 325.437 2.389 20 30 EEEDLO C[C@@]1(NC(=O)c2nccs2)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046724660 1235115514 /nfs/dbraw/zinc/11/55/14/1235115514.db2.gz NXSATCPZGSMUSA-GOSISDBHSA-N 1 2 325.437 2.389 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnc(C)n2C)C1 ZINC001046967396 1235368026 /nfs/dbraw/zinc/36/80/26/1235368026.db2.gz OUPQPLMQUPKDBK-GFCCVEGCSA-N 1 2 346.809 2.168 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnc(C)n2C)C1 ZINC001046967396 1235368030 /nfs/dbraw/zinc/36/80/30/1235368030.db2.gz OUPQPLMQUPKDBK-GFCCVEGCSA-N 1 2 346.809 2.168 20 30 EEEDLO COCC1C/C(=C\c2cncn2C)C(=O)/C(=C/c2c[nH+]cn2C)C1 ZINC000901513777 1235908463 /nfs/dbraw/zinc/90/84/63/1235908463.db2.gz DQMJMBOVCVIBMB-MKFXEVHTSA-N 1 2 326.400 2.246 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1)C2 ZINC001047559849 1236203594 /nfs/dbraw/zinc/20/35/94/1236203594.db2.gz GWFOUYRWIJBZJG-BBWFWOEESA-N 1 2 344.459 2.125 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNc1cc[nH+]c(C)n1 ZINC001048347019 1237492372 /nfs/dbraw/zinc/49/23/72/1237492372.db2.gz NRMQDUWUOJFNKZ-XBVQOTNRSA-N 1 2 344.459 2.415 20 30 EEEDLO CN(C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)c1cccc(F)c1C#N ZINC001067802242 1249648004 /nfs/dbraw/zinc/64/80/04/1249648004.db2.gz DONXOXVDZNJMJK-CQSZACIVSA-N 1 2 341.390 2.090 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056409628 1239335683 /nfs/dbraw/zinc/33/56/83/1239335683.db2.gz XABOKDVROCOVCZ-HUUCEWRRSA-N 1 2 344.459 2.146 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001056482462 1239403390 /nfs/dbraw/zinc/40/33/90/1239403390.db2.gz QZRJHWKUSSDYHR-IRXDYDNUSA-N 1 2 344.459 2.221 20 30 EEEDLO COCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC#Cc1ccccc1Cl ZINC001049259638 1240405040 /nfs/dbraw/zinc/40/50/40/1240405040.db2.gz LPRJLSAROOSJIF-ZWKOTPCHSA-N 1 2 346.858 2.403 20 30 EEEDLO COCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC#Cc1ccccc1Cl ZINC001049259638 1240405042 /nfs/dbraw/zinc/40/50/42/1240405042.db2.gz LPRJLSAROOSJIF-ZWKOTPCHSA-N 1 2 346.858 2.403 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C#CC1CC1 ZINC001049470882 1241044174 /nfs/dbraw/zinc/04/41/74/1241044174.db2.gz ISDXYSBRRMEKLQ-CABCVRRESA-N 1 2 337.261 2.374 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C#CC1CC1 ZINC001049470882 1241044186 /nfs/dbraw/zinc/04/41/86/1241044186.db2.gz ISDXYSBRRMEKLQ-CABCVRRESA-N 1 2 337.261 2.374 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N(C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001067881795 1249869560 /nfs/dbraw/zinc/86/95/60/1249869560.db2.gz WZJLCODHKAHHHL-KGLIPLIRSA-N 1 2 334.464 2.026 20 30 EEEDLO Cc1cc(N2CCCN(C(=O)C#CC3CC3)CC2)nc(C(C)C)[nH+]1 ZINC001057135023 1241970260 /nfs/dbraw/zinc/97/02/60/1241970260.db2.gz BQIHEAZDWPGUDL-UHFFFAOYSA-N 1 2 326.444 2.361 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCCN(C(=O)C(C)(F)F)[C@@H]2C1 ZINC001049952033 1242862010 /nfs/dbraw/zinc/86/20/10/1242862010.db2.gz OBPVTBWJDWYKGD-WDEREUQCSA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCCN(C(=O)C(C)(F)F)[C@@H]2C1 ZINC001049952033 1242862025 /nfs/dbraw/zinc/86/20/25/1242862025.db2.gz OBPVTBWJDWYKGD-WDEREUQCSA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H](Nc1cc[nH+]c(C)n1)C1CC1 ZINC001096825731 1243332734 /nfs/dbraw/zinc/33/27/34/1243332734.db2.gz MZVPZZYFHXCCCB-BQFCYCMXSA-N 1 2 344.459 2.463 20 30 EEEDLO N#Cc1ccc(NC2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)cn1 ZINC001057391210 1243570197 /nfs/dbraw/zinc/57/01/97/1243570197.db2.gz KGCXPLIZMWDYDQ-UHFFFAOYSA-N 1 2 346.394 2.318 20 30 EEEDLO Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2C#N)C1 ZINC001097113377 1243718262 /nfs/dbraw/zinc/71/82/62/1243718262.db2.gz QVXGHKRBUDIUNX-JOCQHMNTSA-N 1 2 341.390 2.123 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097284609 1243923915 /nfs/dbraw/zinc/92/39/15/1243923915.db2.gz MJLSMQHCQWSHHM-GDBMZVCRSA-N 1 2 332.448 2.099 20 30 EEEDLO Cc1nc(N2CCC[C@H](CNC(=O)C#CC3CC3)C2)c(C)c(C)[nH+]1 ZINC001097303881 1243939802 /nfs/dbraw/zinc/93/98/02/1243939802.db2.gz ZIFKSTLYIICQRB-QGZVFWFLSA-N 1 2 326.444 2.148 20 30 EEEDLO Cc1nc(N2CCC[C@H](CNC(=O)[C@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001097297339 1243971007 /nfs/dbraw/zinc/97/10/07/1243971007.db2.gz DSOGIDQLRJGADZ-UKRRQHHQSA-N 1 2 341.459 2.156 20 30 EEEDLO Cc1nc(N2CCC[C@@H](CNC(=O)[C@@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001097297340 1243971104 /nfs/dbraw/zinc/97/11/04/1243971104.db2.gz DSOGIDQLRJGADZ-ZFWWWQNUSA-N 1 2 341.459 2.156 20 30 EEEDLO Cc1nnccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097445941 1244164220 /nfs/dbraw/zinc/16/42/20/1244164220.db2.gz MWLHYKBBNJKKCF-QRQLOZEOSA-N 1 2 347.422 2.192 20 30 EEEDLO Cc1nnccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097445941 1244164223 /nfs/dbraw/zinc/16/42/23/1244164223.db2.gz MWLHYKBBNJKKCF-QRQLOZEOSA-N 1 2 347.422 2.192 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2COCC[N@@H+]2CCCC2CCCC2)c1 ZINC001050866744 1244518362 /nfs/dbraw/zinc/51/83/62/1244518362.db2.gz ZKGPTHJJVOWPBB-QGZVFWFLSA-N 1 2 344.459 2.287 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2COCC[N@H+]2CCCC2CCCC2)c1 ZINC001050866744 1244518368 /nfs/dbraw/zinc/51/83/68/1244518368.db2.gz ZKGPTHJJVOWPBB-QGZVFWFLSA-N 1 2 344.459 2.287 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050876761 1244535102 /nfs/dbraw/zinc/53/51/02/1244535102.db2.gz MEVIMNXBCGNOFR-HUUCEWRRSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1nsc2ccccc21 ZINC001050935478 1244661917 /nfs/dbraw/zinc/66/19/17/1244661917.db2.gz ZJMLLWWFDBEBFW-ZDUSSCGKSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1nsc2ccccc21 ZINC001050935478 1244661924 /nfs/dbraw/zinc/66/19/24/1244661924.db2.gz ZJMLLWWFDBEBFW-ZDUSSCGKSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnn(C(C)(C)C)c1C ZINC001050950845 1244703385 /nfs/dbraw/zinc/70/33/85/1244703385.db2.gz ZGROKMNMLBWBPJ-INIZCTEOSA-N 1 2 348.491 2.343 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnn(C(C)(C)C)c1C ZINC001050950845 1244703392 /nfs/dbraw/zinc/70/33/92/1244703392.db2.gz ZGROKMNMLBWBPJ-INIZCTEOSA-N 1 2 348.491 2.343 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnc2ccccc21 ZINC001051012007 1244847879 /nfs/dbraw/zinc/84/78/79/1244847879.db2.gz QGANSPUBJKRQKP-OAHLLOKOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnc2ccccc21 ZINC001051012007 1244847887 /nfs/dbraw/zinc/84/78/87/1244847887.db2.gz QGANSPUBJKRQKP-OAHLLOKOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c(F)ccc(F)c1F ZINC001051090971 1244968486 /nfs/dbraw/zinc/96/84/86/1244968486.db2.gz KEWUISGVXWBVPM-LLVKDONJSA-N 1 2 328.334 2.111 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(F)ccc(F)c1F ZINC001051090971 1244968489 /nfs/dbraw/zinc/96/84/89/1244968489.db2.gz KEWUISGVXWBVPM-LLVKDONJSA-N 1 2 328.334 2.111 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC001051158810 1245062446 /nfs/dbraw/zinc/06/24/46/1245062446.db2.gz ZZWXAVASWGKMIT-NZSAHSFTSA-N 1 2 344.455 2.192 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC001051158810 1245062452 /nfs/dbraw/zinc/06/24/52/1245062452.db2.gz ZZWXAVASWGKMIT-NZSAHSFTSA-N 1 2 344.455 2.192 20 30 EEEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c[nH]c2c1cccc2CC ZINC001051254583 1245443919 /nfs/dbraw/zinc/44/39/19/1245443919.db2.gz KCJBYPBVFSUPNF-MRXNPFEDSA-N 1 2 339.439 2.184 20 30 EEEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c[nH]c2c1cccc2CC ZINC001051254583 1245443923 /nfs/dbraw/zinc/44/39/23/1245443923.db2.gz KCJBYPBVFSUPNF-MRXNPFEDSA-N 1 2 339.439 2.184 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@@H+](Cc3nc([C@@H](C)OC)no3)C[C@@]2(C)C1 ZINC001101162992 1245469976 /nfs/dbraw/zinc/46/99/76/1245469976.db2.gz QEGSAAYLJABXDH-LBTNJELSSA-N 1 2 348.447 2.024 20 30 EEEDLO C=CCCC(=O)N1C[C@H]2C[N@H+](Cc3nc([C@@H](C)OC)no3)C[C@@]2(C)C1 ZINC001101162992 1245469979 /nfs/dbraw/zinc/46/99/79/1245469979.db2.gz QEGSAAYLJABXDH-LBTNJELSSA-N 1 2 348.447 2.024 20 30 EEEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C)o3)C[C@@]2(C)C1 ZINC001101325351 1245662102 /nfs/dbraw/zinc/66/21/02/1245662102.db2.gz PECQTCAYWAGNCS-APWZRJJASA-N 1 2 344.459 2.242 20 30 EEEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C)o3)C[C@@]2(C)C1 ZINC001101325351 1245662108 /nfs/dbraw/zinc/66/21/08/1245662108.db2.gz PECQTCAYWAGNCS-APWZRJJASA-N 1 2 344.459 2.242 20 30 EEEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@H+](Cc4cnon4)C[C@@]3(C)C2)CC1 ZINC001101354859 1245705531 /nfs/dbraw/zinc/70/55/31/1245705531.db2.gz ILMNJUCBEHTCRU-PBHICJAKSA-N 1 2 330.432 2.096 20 30 EEEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4cnon4)C[C@@]3(C)C2)CC1 ZINC001101354859 1245705536 /nfs/dbraw/zinc/70/55/36/1245705536.db2.gz ILMNJUCBEHTCRU-PBHICJAKSA-N 1 2 330.432 2.096 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N2CCC(C(C)(C)CNCC#N)CC2)c[nH+]1 ZINC001101550533 1245956206 /nfs/dbraw/zinc/95/62/06/1245956206.db2.gz NJGRIUISDYDTFY-UHFFFAOYSA-N 1 2 345.491 2.305 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C1(C(C)(F)F)CC1)c1nccn12 ZINC001101644420 1246075646 /nfs/dbraw/zinc/07/56/46/1246075646.db2.gz KSWCNVMOPIOSKU-LBPRGKRZSA-N 1 2 336.386 2.076 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1sc(C3CC3)nc1C)CCO2 ZINC001053255031 1246100510 /nfs/dbraw/zinc/10/05/10/1246100510.db2.gz ZVAFKFPPWWHIQF-UHFFFAOYSA-N 1 2 347.484 2.432 20 30 EEEDLO C[C@@H](c1csnn1)[N@H+]1C[C@@H](CNC(=O)C#CC(C)(C)C)[C@H](C)C1 ZINC001101954889 1246269048 /nfs/dbraw/zinc/26/90/48/1246269048.db2.gz IOVIZTWTJWYGOM-HZSPNIEDSA-N 1 2 334.489 2.333 20 30 EEEDLO C[C@@H](c1csnn1)[N@@H+]1C[C@@H](CNC(=O)C#CC(C)(C)C)[C@H](C)C1 ZINC001101954889 1246269054 /nfs/dbraw/zinc/26/90/54/1246269054.db2.gz IOVIZTWTJWYGOM-HZSPNIEDSA-N 1 2 334.489 2.333 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@H](C)c1cccnc1)CCO2 ZINC001053458175 1246356172 /nfs/dbraw/zinc/35/61/72/1246356172.db2.gz KXRLXSJVCBNOJQ-INIZCTEOSA-N 1 2 329.444 2.065 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C3CCCCCCC3)C2)CC1 ZINC001052049245 1246419826 /nfs/dbraw/zinc/41/98/26/1246419826.db2.gz KFHQZRQYAWMBHR-IBGZPJMESA-N 1 2 331.504 2.199 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccccc1OCC)CCO2 ZINC001053522064 1246429078 /nfs/dbraw/zinc/42/90/78/1246429078.db2.gz OAMUJWDZWXGTRL-UHFFFAOYSA-N 1 2 330.428 2.188 20 30 EEEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)C3(C4CCCCC4)CC3)C2)CC1 ZINC001052113330 1246495176 /nfs/dbraw/zinc/49/51/76/1246495176.db2.gz RRAMYXYRCAJMJQ-SFHVURJKSA-N 1 2 344.503 2.089 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C)n(C)c3C)C2)CC1 ZINC001052117109 1246501596 /nfs/dbraw/zinc/50/15/96/1246501596.db2.gz GWTDNFODWJJGAX-SFHVURJKSA-N 1 2 344.503 2.050 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC001052124181 1246511026 /nfs/dbraw/zinc/51/10/26/1246511026.db2.gz ZGMCLRJOBCAIPL-RTBURBONSA-N 1 2 345.531 2.445 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1conc1C1CCCC1)O2 ZINC001053611105 1246532009 /nfs/dbraw/zinc/53/20/09/1246532009.db2.gz JXPCQYAHHBISDN-OAHLLOKOSA-N 1 2 345.443 2.481 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)O2 ZINC001053618585 1246543253 /nfs/dbraw/zinc/54/32/53/1246543253.db2.gz AJSTUQTXUPGUGU-INIZCTEOSA-N 1 2 346.475 2.177 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(F)cc(C)cc1F)O2 ZINC001053630014 1246560087 /nfs/dbraw/zinc/56/00/87/1246560087.db2.gz GHQIUMAGIJUTPK-ZDUSSCGKSA-N 1 2 336.382 2.422 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ncc(Cl)s1)O2 ZINC001053631405 1246562140 /nfs/dbraw/zinc/56/21/40/1246562140.db2.gz WNEWUMUEJHYUQW-LLVKDONJSA-N 1 2 341.864 2.336 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCCC1(F)F)O2 ZINC001053638237 1246571460 /nfs/dbraw/zinc/57/14/60/1246571460.db2.gz JDZPSWCJUBAOOP-KGLIPLIRSA-N 1 2 328.403 2.348 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(F)c(F)c(F)c1)O2 ZINC001053664258 1246611459 /nfs/dbraw/zinc/61/14/59/1246611459.db2.gz PEXBIUYITCIVNH-GFCCVEGCSA-N 1 2 340.345 2.253 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc3ccccn3c1)O2 ZINC001053669484 1246617433 /nfs/dbraw/zinc/61/74/33/1246617433.db2.gz AKCRSLQPQLRSNH-QGZVFWFLSA-N 1 2 325.412 2.089 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc(N(C)C)c1)O2 ZINC001053694029 1246664889 /nfs/dbraw/zinc/66/48/89/1246664889.db2.gz LYTNCRZZUKAIHR-SFHVURJKSA-N 1 2 343.471 2.292 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)c(F)cc1F)CO2 ZINC001053839574 1246885170 /nfs/dbraw/zinc/88/51/70/1246885170.db2.gz JXIUWLURJXNONJ-CYBMUJFWSA-N 1 2 336.382 2.422 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1c3c[nH]nc3ccc1C)CO2 ZINC001053853809 1246913466 /nfs/dbraw/zinc/91/34/66/1246913466.db2.gz OHXAMHJINLZQND-CQSZACIVSA-N 1 2 340.427 2.021 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccc(C)c(OC)c1)CO2 ZINC001053864910 1246931915 /nfs/dbraw/zinc/93/19/15/1246931915.db2.gz MODXBQARVSPDHY-KRWDZBQOSA-N 1 2 344.455 2.082 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1([C@@H]3CCCCO3)CCC1)CO2 ZINC001053868028 1246939738 /nfs/dbraw/zinc/93/97/38/1246939738.db2.gz AHBKKSIYBPBNTI-SJORKVTESA-N 1 2 348.487 2.261 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCCC1(F)F)CO2 ZINC001053881149 1246960359 /nfs/dbraw/zinc/96/03/59/1246960359.db2.gz FMJAPEHUAOFSLH-KGLIPLIRSA-N 1 2 328.403 2.348 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001057726375 1246962676 /nfs/dbraw/zinc/96/26/76/1246962676.db2.gz ISKBZRGYALVJJB-AWEZNQCLSA-N 1 2 343.475 2.080 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001057726375 1246962682 /nfs/dbraw/zinc/96/26/82/1246962682.db2.gz ISKBZRGYALVJJB-AWEZNQCLSA-N 1 2 343.475 2.080 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3cc(C)ccc3[nH]1)CO2 ZINC001053888351 1246970942 /nfs/dbraw/zinc/97/09/42/1246970942.db2.gz HHIGRRUHHZCUSK-MRXNPFEDSA-N 1 2 337.423 2.073 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccccc1OC(C)C)CO2 ZINC001053986272 1247108879 /nfs/dbraw/zinc/10/88/79/1247108879.db2.gz LAOOBGAAIVMYCM-INIZCTEOSA-N 1 2 342.439 2.070 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c[nH]cc1-c1ccccc1)CO2 ZINC001054007701 1247141029 /nfs/dbraw/zinc/14/10/29/1247141029.db2.gz LGTYVWXUBHRDEO-KRWDZBQOSA-N 1 2 349.434 2.278 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cn1ccc3ccccc31)CO2 ZINC001054011954 1247145932 /nfs/dbraw/zinc/14/59/32/1247145932.db2.gz SDKZAIUGOVMEAG-KRWDZBQOSA-N 1 2 339.439 2.177 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3c(cccc3C)o1)CO2 ZINC001054017544 1247154017 /nfs/dbraw/zinc/15/40/17/1247154017.db2.gz DUEJEGARQLIJKD-HNNXBMFYSA-N 1 2 338.407 2.338 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1onc(C)c1C ZINC001054043899 1247211227 /nfs/dbraw/zinc/21/12/27/1247211227.db2.gz NCDKMXLHXYYYQU-GOSISDBHSA-N 1 2 337.423 2.471 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1onc(C)c1C ZINC001054043899 1247211237 /nfs/dbraw/zinc/21/12/37/1247211237.db2.gz NCDKMXLHXYYYQU-GOSISDBHSA-N 1 2 337.423 2.471 20 30 EEEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNc1cccc(F)c1C#N ZINC001054417940 1248370503 /nfs/dbraw/zinc/37/05/03/1248370503.db2.gz HDHVRIPJJUUXDG-ZIAGYGMSSA-N 1 2 341.390 2.100 20 30 EEEDLO N#Cc1ccc(NC[C@H]2C[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)nc1 ZINC001068616695 1251408704 /nfs/dbraw/zinc/40/87/04/1251408704.db2.gz TYGKLAMCQDOLGU-CTYIDZIISA-N 1 2 346.394 2.450 20 30 EEEDLO Cc1nc(N[C@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)c2c([nH+]1)CCCC2 ZINC001069090326 1252217506 /nfs/dbraw/zinc/21/75/06/1252217506.db2.gz MLNRQTYQFQCEPR-BBRMVZONSA-N 1 2 338.455 2.479 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001070784846 1253794746 /nfs/dbraw/zinc/79/47/46/1253794746.db2.gz YMJLEBMPPPWWHH-QGZVFWFLSA-N 1 2 344.459 2.218 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001070784846 1253794751 /nfs/dbraw/zinc/79/47/51/1253794751.db2.gz YMJLEBMPPPWWHH-QGZVFWFLSA-N 1 2 344.459 2.218 20 30 EEEDLO C=CCC1(C(=O)N2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)CCCC1 ZINC001070967432 1253874570 /nfs/dbraw/zinc/87/45/70/1253874570.db2.gz MARJDRGCWDFDLN-MRXNPFEDSA-N 1 2 344.459 2.127 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc[nH]c1C)C[C@H](C)O2 ZINC001071154979 1254011977 /nfs/dbraw/zinc/01/19/77/1254011977.db2.gz SQHJWFYGNOMUJX-SUMWQHHRSA-N 1 2 337.851 2.381 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc[nH]c1C)C[C@H](C)O2 ZINC001071154979 1254011986 /nfs/dbraw/zinc/01/19/86/1254011986.db2.gz SQHJWFYGNOMUJX-SUMWQHHRSA-N 1 2 337.851 2.381 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn3cccnc3n2)CC[C@@H]1C ZINC001071646078 1254463713 /nfs/dbraw/zinc/46/37/13/1254463713.db2.gz RRWPSWBUQWRBIA-STQMWFEESA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cn3cccnc3n2)CC[C@@H]1C ZINC001071646078 1254463720 /nfs/dbraw/zinc/46/37/20/1254463720.db2.gz RRWPSWBUQWRBIA-STQMWFEESA-N 1 2 333.823 2.065 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001071791230 1254659088 /nfs/dbraw/zinc/65/90/88/1254659088.db2.gz QNPVYFYYFMVOJI-XJKSGUPXSA-N 1 2 340.427 2.186 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)c2ccnnc2)C[N@@H+]1Cc1ccccc1C#N ZINC001071846761 1254707287 /nfs/dbraw/zinc/70/72/87/1254707287.db2.gz FJGVIOXCGKHBHK-KSSFIOAISA-N 1 2 335.411 2.131 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)c2ccnnc2)C[N@H+]1Cc1ccccc1C#N ZINC001071846761 1254707300 /nfs/dbraw/zinc/70/73/00/1254707300.db2.gz FJGVIOXCGKHBHK-KSSFIOAISA-N 1 2 335.411 2.131 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nccn1C)C2 ZINC001072779915 1255370359 /nfs/dbraw/zinc/37/03/59/1255370359.db2.gz LWIMZTOPRHNEKL-UHFFFAOYSA-N 1 2 336.867 2.233 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](Cc1nccn1C)C2 ZINC001072779915 1255370369 /nfs/dbraw/zinc/37/03/69/1255370369.db2.gz LWIMZTOPRHNEKL-UHFFFAOYSA-N 1 2 336.867 2.233 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC2(C1)CC[N@@H+](Cc1coc(C)n1)C2 ZINC001072815292 1255407701 /nfs/dbraw/zinc/40/77/01/1255407701.db2.gz UWGROYSFNPTDST-UHFFFAOYSA-N 1 2 340.427 2.319 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC2(C1)CC[N@H+](Cc1coc(C)n1)C2 ZINC001072815292 1255407707 /nfs/dbraw/zinc/40/77/07/1255407707.db2.gz UWGROYSFNPTDST-UHFFFAOYSA-N 1 2 340.427 2.319 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@@H+](Cc2nnc(C)s2)C3)C1 ZINC001072964492 1255526705 /nfs/dbraw/zinc/52/67/05/1255526705.db2.gz YJVZUADRNQNPNJ-UHFFFAOYSA-N 1 2 332.473 2.237 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@H+](Cc2nnc(C)s2)C3)C1 ZINC001072964492 1255526716 /nfs/dbraw/zinc/52/67/16/1255526716.db2.gz YJVZUADRNQNPNJ-UHFFFAOYSA-N 1 2 332.473 2.237 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)o1 ZINC001074067647 1256650695 /nfs/dbraw/zinc/65/06/95/1256650695.db2.gz KBQQDKCDLRPZOD-ZACQAIPSSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)o1 ZINC001074067647 1256650701 /nfs/dbraw/zinc/65/07/01/1256650701.db2.gz KBQQDKCDLRPZOD-ZACQAIPSSA-N 1 2 347.459 2.387 20 30 EEEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3occ4c3CCC4)C[C@@H]21 ZINC001074304791 1256897353 /nfs/dbraw/zinc/89/73/53/1256897353.db2.gz QJZJDJDQEVUDNH-IRXDYDNUSA-N 1 2 330.428 2.260 20 30 EEEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3occ4c3CCC4)C[C@@H]21 ZINC001074304791 1256897365 /nfs/dbraw/zinc/89/73/65/1256897365.db2.gz QJZJDJDQEVUDNH-IRXDYDNUSA-N 1 2 330.428 2.260 20 30 EEEDLO C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C4CC4)no3)C[C@H]21 ZINC001074351533 1256932416 /nfs/dbraw/zinc/93/24/16/1256932416.db2.gz PAPKIWOSUWHGMW-SJORKVTESA-N 1 2 345.443 2.434 20 30 EEEDLO C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C4CC4)no3)C[C@H]21 ZINC001074351533 1256932420 /nfs/dbraw/zinc/93/24/20/1256932420.db2.gz PAPKIWOSUWHGMW-SJORKVTESA-N 1 2 345.443 2.434 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc4c([nH]3)CCCC4)C[C@H]21 ZINC001074379722 1256956888 /nfs/dbraw/zinc/95/68/88/1256956888.db2.gz JAHYYCURITYGHI-MOPGFXCFSA-N 1 2 343.471 2.385 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc4c([nH]3)CCCC4)C[C@H]21 ZINC001074379722 1256956896 /nfs/dbraw/zinc/95/68/96/1256956896.db2.gz JAHYYCURITYGHI-MOPGFXCFSA-N 1 2 343.471 2.385 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc4ccccc4n3)C[C@@H]21 ZINC001074387858 1256967156 /nfs/dbraw/zinc/96/71/56/1256967156.db2.gz 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CC/C=C(\C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC001191483415 1281410871 /nfs/dbraw/zinc/41/08/71/1281410871.db2.gz SPQUFANGFWNSJC-ISQOHZQCSA-N 1 2 346.858 2.209 20 30 EEEDLO CC/C=C(\C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001191457678 1281417800 /nfs/dbraw/zinc/41/78/00/1281417800.db2.gz VYRSFAMFCGXRPX-HHEQTWLRSA-N 1 2 346.858 2.209 20 30 EEEDLO CC/C=C(\C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001191457678 1281417809 /nfs/dbraw/zinc/41/78/09/1281417809.db2.gz VYRSFAMFCGXRPX-HHEQTWLRSA-N 1 2 346.858 2.209 20 30 EEEDLO CC[N@H+](Cc1ncoc1C(C)C)[C@H](C)CNC(=O)CSCC#N ZINC001151954457 1281423984 /nfs/dbraw/zinc/42/39/84/1281423984.db2.gz XLRQWWDCCKNSRE-CYBMUJFWSA-N 1 2 338.477 2.381 20 30 EEEDLO CC[N@@H+](Cc1ncoc1C(C)C)[C@H](C)CNC(=O)CSCC#N ZINC001151954457 1281423994 /nfs/dbraw/zinc/42/39/94/1281423994.db2.gz XLRQWWDCCKNSRE-CYBMUJFWSA-N 1 2 338.477 2.381 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001193232416 1282393541 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331.460 2.223 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ccc2F)C[C@H]1O ZINC001195923795 1283806578 /nfs/dbraw/zinc/80/65/78/1283806578.db2.gz MAOBUKISWPXIRQ-ZHALLVOQSA-N 1 2 334.435 2.398 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ccc2F)C[C@H]1O ZINC001195923795 1283806586 /nfs/dbraw/zinc/80/65/86/1283806586.db2.gz MAOBUKISWPXIRQ-ZHALLVOQSA-N 1 2 334.435 2.398 20 30 EEEDLO CC#CCCCC(=O)N1CCC[N@@H+](CC(=O)N(CCC)CCC)CC1 ZINC001196847240 1284290403 /nfs/dbraw/zinc/29/04/03/1284290403.db2.gz YJWARZHSEXEEHH-UHFFFAOYSA-N 1 2 349.519 2.363 20 30 EEEDLO CC#CCCCC(=O)N1CCC[N@H+](CC(=O)N(CCC)CCC)CC1 ZINC001196847240 1284290414 /nfs/dbraw/zinc/29/04/14/1284290414.db2.gz YJWARZHSEXEEHH-UHFFFAOYSA-N 1 2 349.519 2.363 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2c(C)nnn2CC)CC1 ZINC001196880197 1284311896 /nfs/dbraw/zinc/31/18/96/1284311896.db2.gz IRMWZSZLVSTFLA-HNNXBMFYSA-N 1 2 333.480 2.243 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](Cc2c(C)nnn2CC)CC1 ZINC001196880197 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347.846 2.055 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CC)c(Cl)c2)C1 ZINC001332520946 1335840032 /nfs/dbraw/zinc/84/00/32/1335840032.db2.gz NCQHBHRQAZSHIV-OAHLLOKOSA-N 1 2 347.846 2.055 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@@H](CC)C1 ZINC001339484958 1337013286 /nfs/dbraw/zinc/01/32/86/1337013286.db2.gz IWLNUMYDOGFYKA-HZPDHXFCSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@@H](CC)C1 ZINC001339484958 1337013287 /nfs/dbraw/zinc/01/32/87/1337013287.db2.gz IWLNUMYDOGFYKA-HZPDHXFCSA-N 1 2 333.480 2.482 20 30 EEEDLO C=C(C)CN(C)c1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1C ZINC001340006474 1337110196 /nfs/dbraw/zinc/11/01/96/1337110196.db2.gz HRSSVWMDBSMHLN-KRWDZBQOSA-N 1 2 341.459 2.401 20 30 EEEDLO C=C(C)CN(C)c1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1C ZINC001340006474 1337110197 /nfs/dbraw/zinc/11/01/97/1337110197.db2.gz HRSSVWMDBSMHLN-KRWDZBQOSA-N 1 2 341.459 2.401 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC(C)C ZINC001343013712 1337326414 /nfs/dbraw/zinc/32/64/14/1337326414.db2.gz VXSJWWJYTVAOOO-INIZCTEOSA-N 1 2 342.491 2.485 20 30 EEEDLO C=CCN(CC=C)c1nnc(C[NH+]2CCCCC2)n1C[C@H]1CCOC1 ZINC001345250154 1337433322 /nfs/dbraw/zinc/43/33/22/1337433322.db2.gz ASCMHZMTALCZIA-QGZVFWFLSA-N 1 2 345.491 2.479 20 30 EEEDLO C=CC[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(=O)OCC ZINC001346567037 1337486804 /nfs/dbraw/zinc/48/68/04/1337486804.db2.gz AEGRPKFSJZMGDC-MRXNPFEDSA-N 1 2 327.384 2.169 20 30 EEEDLO C#CCCCCC(=O)NCC1CC([NH2+]Cc2noc(CC(C)C)n2)C1 ZINC001100261697 1338216786 /nfs/dbraw/zinc/21/67/86/1338216786.db2.gz KQTWUKLPKBBLHW-UHFFFAOYSA-N 1 2 346.475 2.446 20 30 EEEDLO C=CC[N@H+](Cc1cn2cccnc2n1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588648240 1348926110 /nfs/dbraw/zinc/92/61/10/1348926110.db2.gz IMIFHDBGLORFDY-UHFFFAOYSA-N 1 2 346.398 2.098 20 30 EEEDLO C=CC[N@@H+](Cc1cn2cccnc2n1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588648240 1348926117 /nfs/dbraw/zinc/92/61/17/1348926117.db2.gz IMIFHDBGLORFDY-UHFFFAOYSA-N 1 2 346.398 2.098 20 30 EEEDLO Nc1ccc(C=[NH+]Nc2ccc(-c3nn[nH]n3)cc2C(F)(F)F)cn1 ZINC001592759561 1349713496 /nfs/dbraw/zinc/71/34/96/1349713496.db2.gz PFTLLTXCUZRXJI-UHFFFAOYSA-N 1 2 348.292 2.309 20 30 EEEDLO CCc1[nH]c(CNC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)c[nH+]1 ZINC001646325221 1352829552 /nfs/dbraw/zinc/82/95/52/1352829552.db2.gz IVOFOQPKRBNZDZ-UHFFFAOYSA-N 1 2 334.383 2.268 20 30 EEEDLO CCc1[nH]cc(CNC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)[nH+]1 ZINC001646325221 1352829556 /nfs/dbraw/zinc/82/95/56/1352829556.db2.gz IVOFOQPKRBNZDZ-UHFFFAOYSA-N 1 2 334.383 2.268 20 30 EEEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](CF)C1 ZINC001650300566 1353833606 /nfs/dbraw/zinc/83/36/06/1353833606.db2.gz JBSXUCADXLXGHN-CQSZACIVSA-N 1 2 334.443 2.187 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC(C)(C)C)C2)CCC1 ZINC001665013349 1355263917 /nfs/dbraw/zinc/26/39/17/1355263917.db2.gz XZLHTGRFGAFKEA-OAHLLOKOSA-N 1 2 335.492 2.228 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC(C)(C)C)C2)CCC1 ZINC001665013349 1355263924 /nfs/dbraw/zinc/26/39/24/1355263924.db2.gz XZLHTGRFGAFKEA-OAHLLOKOSA-N 1 2 335.492 2.228 20 30 EEEDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)c1 ZINC000590739889 1367387055 /nfs/dbraw/zinc/38/70/55/1367387055.db2.gz SNDRKWRWFUAISE-UHFFFAOYSA-N 1 2 347.484 2.136 20 30 EEEDLO C#CCCCC(=O)N1CCC[N@H+](CC(=O)N2CCCCCCC2)CC1 ZINC001195674898 1368563754 /nfs/dbraw/zinc/56/37/54/1368563754.db2.gz MBQGJQJZMQKKLK-UHFFFAOYSA-N 1 2 347.503 2.117 20 30 EEEDLO C#CCCCC(=O)N1CCC[N@@H+](CC(=O)N2CCCCCCC2)CC1 ZINC001195674898 1368563756 /nfs/dbraw/zinc/56/37/56/1368563756.db2.gz MBQGJQJZMQKKLK-UHFFFAOYSA-N 1 2 347.503 2.117 20 30 EEEDLO COc1ccccc1[C@H](CNC(=O)[C@@H](C)C#N)[NH2+]Cc1cncs1 ZINC001198616156 1368631542 /nfs/dbraw/zinc/63/15/42/1368631542.db2.gz FYEVNCZGDGUZOA-WFASDCNBSA-N 1 2 344.440 2.258 20 30 EEEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000852346262 1369262821 /nfs/dbraw/zinc/26/28/21/1369262821.db2.gz CHAHACSMMZXOBE-IRXDYDNUSA-N 1 2 347.846 2.130 20 30 EEEDLO N#CC[C@@H]1CCC[N@@H+](CN2C(=O)C[C@]3(CCc4ccccc43)C2=O)C1 ZINC000853523423 1369345149 /nfs/dbraw/zinc/34/51/49/1369345149.db2.gz CZYGQPBGPREGFX-YWZLYKJASA-N 1 2 337.423 2.213 20 30 EEEDLO N#CC[C@@H]1CCC[N@H+](CN2C(=O)C[C@]3(CCc4ccccc43)C2=O)C1 ZINC000853523423 1369345151 /nfs/dbraw/zinc/34/51/51/1369345151.db2.gz CZYGQPBGPREGFX-YWZLYKJASA-N 1 2 337.423 2.213 20 30 EEEDLO CCCn1ncnc1CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000853684952 1369367686 /nfs/dbraw/zinc/36/76/86/1369367686.db2.gz NOLYLPDJIPTEOC-UHFFFAOYSA-N 1 2 338.209 2.288 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)sc1C)C2 ZINC001110775489 1369439646 /nfs/dbraw/zinc/43/96/46/1369439646.db2.gz LNKRKQKTBYWBCK-BMFZPTHFSA-N 1 2 347.484 2.002 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)sc1C)C2 ZINC001110775489 1369439649 /nfs/dbraw/zinc/43/96/49/1369439649.db2.gz LNKRKQKTBYWBCK-BMFZPTHFSA-N 1 2 347.484 2.002 20 30 EEEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000139119682 1369682958 /nfs/dbraw/zinc/68/29/58/1369682958.db2.gz WFVYUDFNJBQIHD-VNHYZAJKSA-N 1 2 336.395 2.333 20 30 EEEDLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000139119682 1369682962 /nfs/dbraw/zinc/68/29/62/1369682962.db2.gz WFVYUDFNJBQIHD-VNHYZAJKSA-N 1 2 336.395 2.333 20 30 EEEDLO CNC(=O)c1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000371297576 1369820480 /nfs/dbraw/zinc/82/04/80/1369820480.db2.gz LYBRMSLXXPRSJD-IBGZPJMESA-N 1 2 335.407 2.491 20 30 EEEDLO CNC(=O)c1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000371297576 1369820487 /nfs/dbraw/zinc/82/04/87/1369820487.db2.gz LYBRMSLXXPRSJD-IBGZPJMESA-N 1 2 335.407 2.491 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001071261111 1370450401 /nfs/dbraw/zinc/45/04/01/1370450401.db2.gz LPSFTXMNJJOIMT-APWZRJJASA-N 1 2 346.475 2.373 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)C2CCOCC2)CC[C@@H]1C ZINC001071304886 1370467960 /nfs/dbraw/zinc/46/79/60/1370467960.db2.gz LOPYMBPUWWSOQE-JSGCOSHPSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)C2CCOCC2)CC[C@@H]1C ZINC001071304886 1370467963 /nfs/dbraw/zinc/46/79/63/1370467963.db2.gz LOPYMBPUWWSOQE-JSGCOSHPSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(Cl)n(C)n2)CC[C@H]1C ZINC001071667235 1370549582 /nfs/dbraw/zinc/54/95/82/1370549582.db2.gz VKLIHLJBCGCMTR-GHMZBOCLSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(Cl)n(C)n2)CC[C@H]1C ZINC001071667235 1370549586 /nfs/dbraw/zinc/54/95/86/1370549586.db2.gz VKLIHLJBCGCMTR-GHMZBOCLSA-N 1 2 331.247 2.409 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001072454456 1370707824 /nfs/dbraw/zinc/70/78/24/1370707824.db2.gz XSEXZVVWWDKRIU-RDJZCZTQSA-N 1 2 344.459 2.005 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001103940351 1371082733 /nfs/dbraw/zinc/08/27/33/1371082733.db2.gz ZJIURIGTIOBGRG-KZULUSFZSA-N 1 2 332.448 2.154 20 30 EEEDLO C[C@@H](C#N)C(=O)NC1CC2(C1)CC([NH2+]Cc1noc(C3CCC3)n1)C2 ZINC001120854579 1371834416 /nfs/dbraw/zinc/83/44/16/1371834416.db2.gz RRZOFCZHHSHZRR-URFDXJLMSA-N 1 2 343.431 2.014 20 30 EEEDLO C=C(C)Cn1c(-c2[nH]cnc2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001122531893 1372056758 /nfs/dbraw/zinc/05/67/58/1372056758.db2.gz PYCZDIHTNCSMMD-UHFFFAOYSA-N 1 2 329.452 2.083 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@H]2CCC[N@@H+]2C)n1C[C@@H]1CCCCO1 ZINC001123269157 1372114413 /nfs/dbraw/zinc/11/44/13/1372114413.db2.gz YGDOKFQKFYCYRJ-HRCADAONSA-N 1 2 331.464 2.072 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@H]2CCC[N@H+]2C)n1C[C@@H]1CCCCO1 ZINC001123269157 1372114415 /nfs/dbraw/zinc/11/44/15/1372114415.db2.gz YGDOKFQKFYCYRJ-HRCADAONSA-N 1 2 331.464 2.072 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001357134127 1373209907 /nfs/dbraw/zinc/20/99/07/1373209907.db2.gz DTEUQACPZXXGTE-QGZVFWFLSA-N 1 2 332.427 2.282 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)Cc1cccnc1 ZINC001374484248 1376861304 /nfs/dbraw/zinc/86/13/04/1376861304.db2.gz SYEWTMMTXNNNFZ-UHFFFAOYSA-N 1 2 340.402 2.225 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)Cc1cccnc1 ZINC001374484248 1376861306 /nfs/dbraw/zinc/86/13/06/1376861306.db2.gz SYEWTMMTXNNNFZ-UHFFFAOYSA-N 1 2 340.402 2.225 20 30 EEEDLO CCn1ccc(C(=O)N(C)CC[N@H+](C)Cc2cc(C#N)ccc2F)n1 ZINC001392308486 1389967237 /nfs/dbraw/zinc/96/72/37/1389967237.db2.gz CMQMJEDZPNCHTM-UHFFFAOYSA-N 1 2 343.406 2.118 20 30 EEEDLO CCn1ccc(C(=O)N(C)CC[N@@H+](C)Cc2cc(C#N)ccc2F)n1 ZINC001392308486 1389967239 /nfs/dbraw/zinc/96/72/39/1389967239.db2.gz CMQMJEDZPNCHTM-UHFFFAOYSA-N 1 2 343.406 2.118 20 30 EEEDLO C#CCOc1ccc(C(=O)NCC[N@@H+](C)Cc2cc(C)ns2)cc1 ZINC001753065863 1406659310 /nfs/dbraw/zinc/65/93/10/1406659310.db2.gz BDBOZOQUHIZLGA-UHFFFAOYSA-N 1 2 343.452 2.325 20 30 EEEDLO C#CCOc1ccc(C(=O)NCC[N@H+](C)Cc2cc(C)ns2)cc1 ZINC001753065863 1406659315 /nfs/dbraw/zinc/65/93/15/1406659315.db2.gz BDBOZOQUHIZLGA-UHFFFAOYSA-N 1 2 343.452 2.325 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1nc(C)c(C)s1 ZINC001753065734 1406659598 /nfs/dbraw/zinc/65/95/98/1406659598.db2.gz DOLUICVCGQBFJJ-HOCLYGCPSA-N 1 2 337.489 2.289 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](C)Cc1nc(C)c(C)s1 ZINC001753065734 1406659603 /nfs/dbraw/zinc/65/96/03/1406659603.db2.gz DOLUICVCGQBFJJ-HOCLYGCPSA-N 1 2 337.489 2.289 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1F ZINC001753102440 1406688448 /nfs/dbraw/zinc/68/84/48/1406688448.db2.gz KEEKCSXCNSXISI-CJNGLKHVSA-N 1 2 336.382 2.084 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1F ZINC001753102440 1406688454 /nfs/dbraw/zinc/68/84/54/1406688454.db2.gz KEEKCSXCNSXISI-CJNGLKHVSA-N 1 2 336.382 2.084 20 30 EEEDLO CC[N@H+](CCNC(=O)[C@H](C)C#N)[C@H](C)c1nc(-c2cccs2)no1 ZINC001399697699 1395417250 /nfs/dbraw/zinc/41/72/50/1395417250.db2.gz ZZGDZANRGFRZET-VXGBXAGGSA-N 1 2 347.444 2.457 20 30 EEEDLO CC[N@@H+](CCNC(=O)[C@H](C)C#N)[C@H](C)c1nc(-c2cccs2)no1 ZINC001399697699 1395417251 /nfs/dbraw/zinc/41/72/51/1395417251.db2.gz ZZGDZANRGFRZET-VXGBXAGGSA-N 1 2 347.444 2.457 20 30 EEEDLO Cc1cc(C(=O)NCC[N@H+](Cc2cc(C#N)ccc2F)C2CC2)[nH]n1 ZINC001399993846 1395784044 /nfs/dbraw/zinc/78/40/44/1395784044.db2.gz SDSFACHGBMMJDD-UHFFFAOYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1cc(C(=O)NCC[N@@H+](Cc2cc(C#N)ccc2F)C2CC2)[nH]n1 ZINC001399993846 1395784051 /nfs/dbraw/zinc/78/40/51/1395784051.db2.gz SDSFACHGBMMJDD-UHFFFAOYSA-N 1 2 341.390 2.123 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1ccc2c(c1)OCCO2 ZINC001401799505 1397581475 /nfs/dbraw/zinc/58/14/75/1397581475.db2.gz JOOIPQVQBSJRLW-ZDUSSCGKSA-N 1 2 338.835 2.189 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1ccc2c(c1)OCCO2 ZINC001401799505 1397581477 /nfs/dbraw/zinc/58/14/77/1397581477.db2.gz JOOIPQVQBSJRLW-ZDUSSCGKSA-N 1 2 338.835 2.189 20 30 EEEDLO C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)c1conc1C(F)(F)F ZINC001754969379 1407014442 /nfs/dbraw/zinc/01/44/42/1407014442.db2.gz XXMYYUNXKACINN-LLVKDONJSA-N 1 2 347.337 2.090 20 30 EEEDLO C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1conc1C(F)(F)F ZINC001754969379 1407014448 /nfs/dbraw/zinc/01/44/48/1407014448.db2.gz XXMYYUNXKACINN-LLVKDONJSA-N 1 2 347.337 2.090 20 30 EEEDLO C=CCCCCC[NH+]1CC2(C1)CN(C(=O)c1nccs1)CCO2 ZINC001755061947 1407071272 /nfs/dbraw/zinc/07/12/72/1407071272.db2.gz WNSJWQYJZQUIHN-UHFFFAOYSA-N 1 2 335.473 2.416 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn(-c2ccccc2)nn1 ZINC001422846495 1400225035 /nfs/dbraw/zinc/22/50/35/1400225035.db2.gz FLYZPIYPKYNKDD-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cn(-c2ccccc2)nn1 ZINC001422846495 1400225041 /nfs/dbraw/zinc/22/50/41/1400225041.db2.gz FLYZPIYPKYNKDD-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccncc1Cl ZINC001755316860 1407313781 /nfs/dbraw/zinc/31/37/81/1407313781.db2.gz UEAANPDBBFEVJR-XPKDYRNWSA-N 1 2 337.851 2.263 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccncc1Cl ZINC001755316860 1407313790 /nfs/dbraw/zinc/31/37/90/1407313790.db2.gz UEAANPDBBFEVJR-XPKDYRNWSA-N 1 2 337.851 2.263 20 30 EEEDLO C#CCN1CC[NH+](CCN(C)C(=O)[C@]2(C)CCC(C)=C(C)C2)CC1 ZINC001753347308 1406052569 /nfs/dbraw/zinc/05/25/69/1406052569.db2.gz XZOAPDBGUARNSF-HXUWFJFHSA-N 1 2 331.504 2.222 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)c(OC)co2)CC1(C)C ZINC001755411511 1407425968 /nfs/dbraw/zinc/42/59/68/1407425968.db2.gz DKSIHLXPRISLAY-QGZVFWFLSA-N 1 2 348.443 2.331 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)c(OC)co2)CC1(C)C ZINC001755411511 1407425974 /nfs/dbraw/zinc/42/59/74/1407425974.db2.gz DKSIHLXPRISLAY-QGZVFWFLSA-N 1 2 348.443 2.331 20 30 EEEDLO C=C(Br)C[N@H+](C)CCOCCNC(=O)c1ccoc1C ZINC001755539237 1407610187 /nfs/dbraw/zinc/61/01/87/1407610187.db2.gz XTGNOXNGUSXGNH-UHFFFAOYSA-N 1 2 345.237 2.175 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCOCCNC(=O)c1ccoc1C ZINC001755539237 1407610193 /nfs/dbraw/zinc/61/01/93/1407610193.db2.gz XTGNOXNGUSXGNH-UHFFFAOYSA-N 1 2 345.237 2.175 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)C#CC2CC2)CCC[N@@H+]1Cc1cc(C2CC2)no1 ZINC001755717515 1407773505 /nfs/dbraw/zinc/77/35/05/1407773505.db2.gz GNEBWORXVNNRIB-CXAGYDPISA-N 1 2 327.428 2.435 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)C#CC2CC2)CCC[N@H+]1Cc1cc(C2CC2)no1 ZINC001755717515 1407773510 /nfs/dbraw/zinc/77/35/10/1407773510.db2.gz GNEBWORXVNNRIB-CXAGYDPISA-N 1 2 327.428 2.435 20 30 EEEDLO C=CCNC(=O)C[N@@H+](C)CCN(C(=O)[C@@H]1CCC(C)(C)C1)C(C)C ZINC001755812474 1407865918 /nfs/dbraw/zinc/86/59/18/1407865918.db2.gz QLEKSHSRLVHLEM-MRXNPFEDSA-N 1 2 337.508 2.284 20 30 EEEDLO C=CCNC(=O)C[N@H+](C)CCN(C(=O)[C@@H]1CCC(C)(C)C1)C(C)C ZINC001755812474 1407865922 /nfs/dbraw/zinc/86/59/22/1407865922.db2.gz QLEKSHSRLVHLEM-MRXNPFEDSA-N 1 2 337.508 2.284 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@](C)(NC(C)=O)C(C)C)CC1 ZINC001755899447 1407972878 /nfs/dbraw/zinc/97/28/78/1407972878.db2.gz OYFKUFQFIDQVEG-QGZVFWFLSA-N 1 2 341.883 2.038 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@](C)(NC(C)=O)C(C)C)CC1 ZINC001755899447 1407972883 /nfs/dbraw/zinc/97/28/83/1407972883.db2.gz OYFKUFQFIDQVEG-QGZVFWFLSA-N 1 2 341.883 2.038 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001756054182 1408108163 /nfs/dbraw/zinc/10/81/63/1408108163.db2.gz IPLBCVNFDPCFAH-GFCCVEGCSA-N 1 2 328.416 2.352 20 30 EEEDLO C=CCCC(=O)N1CC([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001756148863 1408178974 /nfs/dbraw/zinc/17/89/74/1408178974.db2.gz QYVVSBHHURILPV-GFCCVEGCSA-N 1 2 326.400 2.106 20 30 EEEDLO C=CCCCC(=O)N[C@H]1C[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001756260768 1408266734 /nfs/dbraw/zinc/26/67/34/1408266734.db2.gz GZZWQXIAKVSDBW-WKILWMFISA-N 1 2 346.475 2.294 20 30 EEEDLO C=CC(C)(C)C(=O)NCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001756317298 1408321730 /nfs/dbraw/zinc/32/17/30/1408321730.db2.gz JVDGEUUCWLWYIF-CABCVRRESA-N 1 2 346.475 2.059 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001756597574 1409121895 /nfs/dbraw/zinc/12/18/95/1409121895.db2.gz GIHAJHMXVPRELC-GJZGRUSLSA-N 1 2 346.475 2.061 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001756868404 1409421452 /nfs/dbraw/zinc/42/14/52/1409421452.db2.gz UAZGKWKFSUTIMT-MRXNPFEDSA-N 1 2 346.475 2.325 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC=C(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001756887127 1409452891 /nfs/dbraw/zinc/45/28/91/1409452891.db2.gz YMXSLKAYDYTLET-HNNXBMFYSA-N 1 2 344.459 2.220 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001757288634 1409624837 /nfs/dbraw/zinc/62/48/37/1409624837.db2.gz PAJJNVSAOGKZLK-AWEZNQCLSA-N 1 2 346.475 2.349 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC(O)(CNc2cc[nH+]c(C)n2)CC1 ZINC001112451792 1410927778 /nfs/dbraw/zinc/92/77/78/1410927778.db2.gz NHJMSYGCVMQWGC-KGLIPLIRSA-N 1 2 332.448 2.009 20 30 EEEDLO C=CCOCC(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001091318067 790276832 /nfs/dbraw/zinc/27/68/32/790276832.db2.gz ZSASTLQAJSAUGD-GASCZTMLSA-N 1 2 332.448 2.418 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)C[C@@H](O)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001125272379 756976161 /nfs/dbraw/zinc/97/61/61/756976161.db2.gz RHBYUICJEBAHGG-DLBZAZTESA-N 1 2 348.491 2.260 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@]3(C)C[C@@H]3c3ccccc3)[C@H]2C1 ZINC001083220497 759796117 /nfs/dbraw/zinc/79/61/17/759796117.db2.gz AFSIMGMIJHGKNY-HDAAZOAOSA-N 1 2 338.451 2.115 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@]3(C)C[C@@H]3c3ccccc3)[C@H]2C1 ZINC001083220497 759796121 /nfs/dbraw/zinc/79/61/21/759796121.db2.gz AFSIMGMIJHGKNY-HDAAZOAOSA-N 1 2 338.451 2.115 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)C1)OCC ZINC001098555619 759893522 /nfs/dbraw/zinc/89/35/22/759893522.db2.gz XIHGNNBMFSWYOY-HZPDHXFCSA-N 1 2 332.448 2.417 20 30 EEEDLO Cc1c[nH]nc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001024435563 761357777 /nfs/dbraw/zinc/35/77/77/761357777.db2.gz XTYVEMUBLAXVIX-KRWDZBQOSA-N 1 2 337.427 2.374 20 30 EEEDLO Cc1c[nH]nc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001024435563 761357785 /nfs/dbraw/zinc/35/77/85/761357785.db2.gz XTYVEMUBLAXVIX-KRWDZBQOSA-N 1 2 337.427 2.374 20 30 EEEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3oc4ccccc4c3C)[C@H]2C1 ZINC001083266846 761407902 /nfs/dbraw/zinc/40/79/02/761407902.db2.gz SZHAEMQBZBJWCQ-DOTOQJQBSA-N 1 2 326.396 2.452 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3oc4ccccc4c3C)[C@H]2C1 ZINC001083266846 761407906 /nfs/dbraw/zinc/40/79/06/761407906.db2.gz SZHAEMQBZBJWCQ-DOTOQJQBSA-N 1 2 326.396 2.452 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@@H](C)N(C)C(=O)c2cccc3[nH+]ccn32)n1 ZINC001104730734 764852030 /nfs/dbraw/zinc/85/20/30/764852030.db2.gz LGBXPQLPZAFOIC-CQSZACIVSA-N 1 2 348.410 2.482 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(C)[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001104770323 765254863 /nfs/dbraw/zinc/25/48/63/765254863.db2.gz QCJHEXQPRUQVDS-CHWSQXEVSA-N 1 2 330.436 2.224 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)[C@@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001104770767 765255549 /nfs/dbraw/zinc/25/55/49/765255549.db2.gz WSCBSFMEKYGZKP-GXTWGEPZSA-N 1 2 334.468 2.107 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H](C)N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC001104834651 765391037 /nfs/dbraw/zinc/39/10/37/765391037.db2.gz YQAPCJAACNWZST-CABCVRRESA-N 1 2 340.431 2.368 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnns3)C[C@@H]2C)cc1 ZINC000942552724 782703952 /nfs/dbraw/zinc/70/39/52/782703952.db2.gz IHZBNNRRHIWBEY-GUYCJALGSA-N 1 2 340.452 2.160 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnns3)C[C@@H]2C)cc1 ZINC000942552724 782703959 /nfs/dbraw/zinc/70/39/59/782703959.db2.gz IHZBNNRRHIWBEY-GUYCJALGSA-N 1 2 340.452 2.160 20 30 EEEDLO CC(C)[C@H](CNC(=O)CCc1[nH]cc[nH+]1)Nc1ncc(C#N)cc1F ZINC001105163921 769218760 /nfs/dbraw/zinc/21/87/60/769218760.db2.gz OYQJTSPZDRJBHW-AWEZNQCLSA-N 1 2 344.394 2.001 20 30 EEEDLO C=CCCCC(=O)NC[C@@H](Nc1ncnc2c1C[N@H+](C)CC2)C(C)C ZINC001105267360 769514598 /nfs/dbraw/zinc/51/45/98/769514598.db2.gz GNMHZDMMSJVXHD-QGZVFWFLSA-N 1 2 345.491 2.374 20 30 EEEDLO C=CCCCC(=O)NC[C@@H](Nc1ncnc2c1C[N@@H+](C)CC2)C(C)C ZINC001105267360 769514602 /nfs/dbraw/zinc/51/46/02/769514602.db2.gz GNMHZDMMSJVXHD-QGZVFWFLSA-N 1 2 345.491 2.374 20 30 EEEDLO Cc1ccc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)n1C ZINC001031548008 769519966 /nfs/dbraw/zinc/51/99/66/769519966.db2.gz UTVFSWPHLAECHG-UHFFFAOYSA-N 1 2 339.414 2.186 20 30 EEEDLO Cn1cccc1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001031553331 769573345 /nfs/dbraw/zinc/57/33/45/769573345.db2.gz IIVDMXMMGHUCQR-UHFFFAOYSA-N 1 2 341.842 2.392 20 30 EEEDLO Cc1cccc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001031555668 769587433 /nfs/dbraw/zinc/58/74/33/769587433.db2.gz WPYUUBWECYXIGI-UHFFFAOYSA-N 1 2 338.386 2.263 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]C[C@@H](F)CC)nn2)C1 ZINC001105310039 769677287 /nfs/dbraw/zinc/67/72/87/769677287.db2.gz MNNCMCYKRLAJCX-KGLIPLIRSA-N 1 2 337.443 2.101 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]C[C@H](F)CC)nn2)C1 ZINC001105310041 769677923 /nfs/dbraw/zinc/67/79/23/769677923.db2.gz MNNCMCYKRLAJCX-ZIAGYGMSSA-N 1 2 337.443 2.101 20 30 EEEDLO CCc1cc(C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)n[nH]1 ZINC001075561496 769866412 /nfs/dbraw/zinc/86/64/12/769866412.db2.gz DXPBNBCNOUHYCR-FXAWDEMLSA-N 1 2 348.450 2.170 20 30 EEEDLO CCc1cc(C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)n[nH]1 ZINC001075561496 769866422 /nfs/dbraw/zinc/86/64/22/769866422.db2.gz DXPBNBCNOUHYCR-FXAWDEMLSA-N 1 2 348.450 2.170 20 30 EEEDLO Cc1nsc(N[C@H](C)C[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)c1C#N ZINC001089499983 769907079 /nfs/dbraw/zinc/90/70/79/769907079.db2.gz OROFZVBTIAUINX-WDEREUQCSA-N 1 2 346.460 2.374 20 30 EEEDLO Cc1nsc(N[C@H](C)C[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)c1C#N ZINC001089499983 769907083 /nfs/dbraw/zinc/90/70/83/769907083.db2.gz OROFZVBTIAUINX-WDEREUQCSA-N 1 2 346.460 2.374 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)C1CC(F)(F)C1 ZINC001031608883 770199165 /nfs/dbraw/zinc/19/91/65/770199165.db2.gz DVUIRHWCXFIDSF-UHFFFAOYSA-N 1 2 336.357 2.271 20 30 EEEDLO CCc1[nH]ccc1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031650697 770631837 /nfs/dbraw/zinc/63/18/37/770631837.db2.gz XJLGMKSDDKDFLX-UHFFFAOYSA-N 1 2 328.441 2.372 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC(C)(C)CC[C@H]2CNC(C)=O)c1 ZINC001089598283 773428806 /nfs/dbraw/zinc/42/88/06/773428806.db2.gz BDLKZJBMIDXBLU-SFHVURJKSA-N 1 2 341.455 2.233 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC(C)(C)CC[C@H]2CNC(C)=O)c1 ZINC001089598283 773428810 /nfs/dbraw/zinc/42/88/10/773428810.db2.gz BDLKZJBMIDXBLU-SFHVURJKSA-N 1 2 341.455 2.233 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)c2ccco2)CC[C@H]1C ZINC001131747457 783165996 /nfs/dbraw/zinc/16/59/96/783165996.db2.gz LFGIGFOEUSFTKJ-CVEARBPZSA-N 1 2 345.443 2.063 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccco2)CC[C@H]1C ZINC001131747457 783166001 /nfs/dbraw/zinc/16/60/01/783166001.db2.gz LFGIGFOEUSFTKJ-CVEARBPZSA-N 1 2 345.443 2.063 20 30 EEEDLO C[C@@H](CC(=O)N(C)CCCN(C)c1ncccc1C#N)n1cc[nH+]c1 ZINC001112184095 783172783 /nfs/dbraw/zinc/17/27/83/783172783.db2.gz QKHBOGLHZBGNTP-HNNXBMFYSA-N 1 2 340.431 2.086 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H](C)N(CC)c1[nH+]cnc2c1cnn2C ZINC001089696774 774458047 /nfs/dbraw/zinc/45/80/47/774458047.db2.gz BXZYFPYWVUKVLV-CYBMUJFWSA-N 1 2 330.436 2.051 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cscn3)[C@H](C)C2)c1 ZINC000947711198 774616388 /nfs/dbraw/zinc/61/63/88/774616388.db2.gz SYTXTQVSVYOLMW-CJNGLKHVSA-N 1 2 340.452 2.302 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cscn3)[C@H](C)C2)c1 ZINC000947711198 774616392 /nfs/dbraw/zinc/61/63/92/774616392.db2.gz SYTXTQVSVYOLMW-CJNGLKHVSA-N 1 2 340.452 2.302 20 30 EEEDLO CCN(CCNc1ccc(C#N)nc1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001106990646 783213230 /nfs/dbraw/zinc/21/32/30/783213230.db2.gz UYJDETUQPQTEED-UHFFFAOYSA-N 1 2 334.383 2.404 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCN(C(=O)C(C)(F)F)CC1 ZINC000980609484 774990680 /nfs/dbraw/zinc/99/06/80/774990680.db2.gz PZECMUMSXADQIE-UHFFFAOYSA-N 1 2 337.370 2.256 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CCCN(C(=O)C(C)(F)F)CC1 ZINC000980609484 774990681 /nfs/dbraw/zinc/99/06/81/774990681.db2.gz PZECMUMSXADQIE-UHFFFAOYSA-N 1 2 337.370 2.256 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091339930 790367255 /nfs/dbraw/zinc/36/72/55/790367255.db2.gz RMISGZVRQYJDMR-OHNRDTAOSA-N 1 2 344.459 2.296 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1csc(NC(C)=O)n1 ZINC001027990895 775775362 /nfs/dbraw/zinc/77/53/62/775775362.db2.gz ROEVESCLOILZFT-LLVKDONJSA-N 1 2 342.852 2.048 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(NC(C)=O)n1 ZINC001027990895 775775366 /nfs/dbraw/zinc/77/53/66/775775366.db2.gz ROEVESCLOILZFT-LLVKDONJSA-N 1 2 342.852 2.048 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H]2CCCOCC2)CC1 ZINC000981065650 776463475 /nfs/dbraw/zinc/46/34/75/776463475.db2.gz MYBMMDODVADYRJ-QGZVFWFLSA-N 1 2 341.455 2.409 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H]2CCCOCC2)CC1 ZINC000981065650 776463479 /nfs/dbraw/zinc/46/34/79/776463479.db2.gz MYBMMDODVADYRJ-QGZVFWFLSA-N 1 2 341.455 2.409 20 30 EEEDLO Cc1nnsc1C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001098982515 790486007 /nfs/dbraw/zinc/48/60/07/790486007.db2.gz LDSIWKXWDWAODK-WCQYABFASA-N 1 2 335.477 2.113 20 30 EEEDLO Cc1nnsc1C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001098982515 790486014 /nfs/dbraw/zinc/48/60/14/790486014.db2.gz LDSIWKXWDWAODK-WCQYABFASA-N 1 2 335.477 2.113 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[N@H+](Cc2ccns2)CC1 ZINC000981337788 777197720 /nfs/dbraw/zinc/19/77/20/777197720.db2.gz UNXBOUXQLFFFDP-UHFFFAOYSA-N 1 2 330.457 2.479 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[N@@H+](Cc2ccns2)CC1 ZINC000981337788 777197723 /nfs/dbraw/zinc/19/77/23/777197723.db2.gz UNXBOUXQLFFFDP-UHFFFAOYSA-N 1 2 330.457 2.479 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]nc1[C@H]1CCCO1 ZINC001028094145 777422651 /nfs/dbraw/zinc/42/26/51/777422651.db2.gz VOUGLVQMPNKYKX-GXTWGEPZSA-N 1 2 338.839 2.208 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]nc1[C@H]1CCCO1 ZINC001028094145 777422654 /nfs/dbraw/zinc/42/26/54/777422654.db2.gz VOUGLVQMPNKYKX-GXTWGEPZSA-N 1 2 338.839 2.208 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC2(CN(C(=O)C(F)F)C2)C1 ZINC000981570831 777688993 /nfs/dbraw/zinc/68/89/93/777688993.db2.gz JOMTTZMNGNAVDW-UHFFFAOYSA-N 1 2 337.345 2.387 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC2(CN(C(=O)C(F)F)C2)C1 ZINC000981570831 777688996 /nfs/dbraw/zinc/68/89/96/777688996.db2.gz JOMTTZMNGNAVDW-UHFFFAOYSA-N 1 2 337.345 2.387 20 30 EEEDLO Cc1cnc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c(C)c1 ZINC001031863287 777723828 /nfs/dbraw/zinc/72/38/28/777723828.db2.gz LOWIIWOIJZUAIO-UHFFFAOYSA-N 1 2 333.435 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-n2cccn2)ccn1 ZINC001028133905 778327253 /nfs/dbraw/zinc/32/72/53/778327253.db2.gz YTFNHNOUZDMFLP-HNNXBMFYSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(-n2cccn2)ccn1 ZINC001028133905 778327259 /nfs/dbraw/zinc/32/72/59/778327259.db2.gz YTFNHNOUZDMFLP-HNNXBMFYSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001063299225 790627633 /nfs/dbraw/zinc/62/76/33/790627633.db2.gz ZAPGNVLORVQBBP-ZACQAIPSSA-N 1 2 344.459 2.417 20 30 EEEDLO C[C@H]1COCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000981905505 778509116 /nfs/dbraw/zinc/50/91/16/778509116.db2.gz MDBOKWHOYWCYGD-LPHOPBHVSA-N 1 2 341.455 2.265 20 30 EEEDLO C[C@H]1COCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000981905505 778509120 /nfs/dbraw/zinc/50/91/20/778509120.db2.gz MDBOKWHOYWCYGD-LPHOPBHVSA-N 1 2 341.455 2.265 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1nocc1C ZINC001028193556 778817324 /nfs/dbraw/zinc/81/73/24/778817324.db2.gz VBHCBNGEFIZTBW-BQFCYCMXSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1nocc1C ZINC001028193556 778817336 /nfs/dbraw/zinc/81/73/36/778817336.db2.gz VBHCBNGEFIZTBW-BQFCYCMXSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)c1ccnc(C)c1 ZINC001028213556 778970639 /nfs/dbraw/zinc/97/06/39/778970639.db2.gz ZEYWBYNVQROKMG-AWEZNQCLSA-N 1 2 338.249 2.493 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc(C)c1 ZINC001028213556 778970641 /nfs/dbraw/zinc/97/06/41/778970641.db2.gz ZEYWBYNVQROKMG-AWEZNQCLSA-N 1 2 338.249 2.493 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000982075873 779063661 /nfs/dbraw/zinc/06/36/61/779063661.db2.gz CMALTZFHVGQGLF-DOTOQJQBSA-N 1 2 344.459 2.031 20 30 EEEDLO C#Cc1ccccc1CC(=O)NCC[NH2+][C@@H](C)c1nc(C(C)C)no1 ZINC001149130326 780381441 /nfs/dbraw/zinc/38/14/41/780381441.db2.gz MLXZZMYOASFONW-AWEZNQCLSA-N 1 2 340.427 2.184 20 30 EEEDLO C=CCOCC(=O)N1CCC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098688166 781132749 /nfs/dbraw/zinc/13/27/49/781132749.db2.gz ZUQHDNWQUJZHNO-INIZCTEOSA-N 1 2 332.448 2.032 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](n2cc(C[NH2+]C[C@@H](F)CC)nn2)C1 ZINC001098697757 781444574 /nfs/dbraw/zinc/44/45/74/781444574.db2.gz KYAGHSSELGITBU-ZFWWWQNUSA-N 1 2 337.443 2.101 20 30 EEEDLO CCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001211857535 781449896 /nfs/dbraw/zinc/44/98/96/781449896.db2.gz SZZQJQYPEQMJEV-QZTJIDSGSA-N 1 2 329.444 2.454 20 30 EEEDLO CCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001211857535 781449902 /nfs/dbraw/zinc/44/99/02/781449902.db2.gz SZZQJQYPEQMJEV-QZTJIDSGSA-N 1 2 329.444 2.454 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3(CC)CCCC3)C2)nn1 ZINC001098761251 790960162 /nfs/dbraw/zinc/96/01/62/790960162.db2.gz CXNSSPINCGYVSB-KRWDZBQOSA-N 1 2 343.475 2.135 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C)C1 ZINC000945295183 783798401 /nfs/dbraw/zinc/79/84/01/783798401.db2.gz PZZRVZPJQUXZFX-HUUCEWRRSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccoc2C(F)(F)F)C1 ZINC001035386002 784423915 /nfs/dbraw/zinc/42/39/15/784423915.db2.gz ZELIAFJTMMEICW-LLVKDONJSA-N 1 2 332.322 2.305 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccoc2C(F)(F)F)C1 ZINC001035386002 784423920 /nfs/dbraw/zinc/42/39/20/784423920.db2.gz ZELIAFJTMMEICW-LLVKDONJSA-N 1 2 332.322 2.305 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cncc(-c3ccccc3)c2)C1 ZINC001035389922 784431131 /nfs/dbraw/zinc/43/11/31/784431131.db2.gz SEQVOVDTGZGGFW-LJQANCHMSA-N 1 2 337.423 2.365 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cncc(-c3ccccc3)c2)C1 ZINC001035389922 784431135 /nfs/dbraw/zinc/43/11/35/784431135.db2.gz SEQVOVDTGZGGFW-LJQANCHMSA-N 1 2 337.423 2.365 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccoc2Br)C1 ZINC001035576662 784772246 /nfs/dbraw/zinc/77/22/46/784772246.db2.gz GEXYQGONSZNTBI-NSHDSACASA-N 1 2 343.221 2.049 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccoc2Br)C1 ZINC001035576662 784772254 /nfs/dbraw/zinc/77/22/54/784772254.db2.gz GEXYQGONSZNTBI-NSHDSACASA-N 1 2 343.221 2.049 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C(F)(F)F)s2)C1 ZINC001035623086 784815215 /nfs/dbraw/zinc/81/52/15/784815215.db2.gz WOXYLSWACSNHRJ-LLVKDONJSA-N 1 2 346.374 2.221 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccc(C(F)(F)F)s2)C1 ZINC001035623086 784815221 /nfs/dbraw/zinc/81/52/21/784815221.db2.gz WOXYLSWACSNHRJ-LLVKDONJSA-N 1 2 346.374 2.221 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cnc3n1CCC3)CC2 ZINC001035724611 785023793 /nfs/dbraw/zinc/02/37/93/785023793.db2.gz LNTHYCXKVGRRMZ-UHFFFAOYSA-N 1 2 334.851 2.120 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2nc(C)no2)C(C)(C)C1 ZINC000995856176 785773412 /nfs/dbraw/zinc/77/34/12/785773412.db2.gz XLUWALKTWSKBKD-GFCCVEGCSA-N 1 2 340.855 2.483 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001078995752 785940125 /nfs/dbraw/zinc/94/01/25/785940125.db2.gz XRDAVYVMQKMNED-INIZCTEOSA-N 1 2 346.475 2.325 20 30 EEEDLO C#C[C@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1ccc(Cl)cc1 ZINC000820552820 785970015 /nfs/dbraw/zinc/97/00/15/785970015.db2.gz MRNOWSGCSOVRSW-CPUCHLNUSA-N 1 2 349.862 2.423 20 30 EEEDLO C#C[C@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1ccc(Cl)cc1 ZINC000820552820 785970024 /nfs/dbraw/zinc/97/00/24/785970024.db2.gz MRNOWSGCSOVRSW-CPUCHLNUSA-N 1 2 349.862 2.423 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](F)CCCCCC)nn2)C1 ZINC001107229797 786564111 /nfs/dbraw/zinc/56/41/11/786564111.db2.gz SCVRZZQVLFJDEI-INIZCTEOSA-N 1 2 337.443 2.246 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)sc3C)C[C@H]2O)C1 ZINC001090555106 786893953 /nfs/dbraw/zinc/89/39/53/786893953.db2.gz HDZRYFUHWJGRIP-GDBMZVCRSA-N 1 2 349.500 2.168 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C)sc3C)C[C@H]2O)C1 ZINC001090555106 786893961 /nfs/dbraw/zinc/89/39/61/786893961.db2.gz HDZRYFUHWJGRIP-GDBMZVCRSA-N 1 2 349.500 2.168 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccnc(F)c2)cc1 ZINC001032309938 786944790 /nfs/dbraw/zinc/94/47/90/786944790.db2.gz GKFLMFCHRGURKK-IRXDYDNUSA-N 1 2 336.370 2.191 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccnc(F)c2)cc1 ZINC001032309938 786944795 /nfs/dbraw/zinc/94/47/95/786944795.db2.gz GKFLMFCHRGURKK-IRXDYDNUSA-N 1 2 336.370 2.191 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)cc1O ZINC000910781252 787043000 /nfs/dbraw/zinc/04/30/00/787043000.db2.gz MONUWWMDEKJQLM-UHFFFAOYSA-N 1 2 333.391 2.364 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)cc1O ZINC000910781252 787043006 /nfs/dbraw/zinc/04/30/06/787043006.db2.gz MONUWWMDEKJQLM-UHFFFAOYSA-N 1 2 333.391 2.364 20 30 EEEDLO Cc1nnc(C[N@@H+]2CC[C@@]3(CNC(=O)C#CC(C)(C)C)CCC[C@@H]23)[nH]1 ZINC001107399870 787130858 /nfs/dbraw/zinc/13/08/58/787130858.db2.gz NOBYXSMUJMPAKC-DNVCBOLYSA-N 1 2 343.475 2.023 20 30 EEEDLO Cc1nnc(C[N@H+]2CC[C@@]3(CNC(=O)C#CC(C)(C)C)CCC[C@@H]23)[nH]1 ZINC001107399870 787130862 /nfs/dbraw/zinc/13/08/62/787130862.db2.gz NOBYXSMUJMPAKC-DNVCBOLYSA-N 1 2 343.475 2.023 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H](C)OCC)CC2(CCOCC2)C1 ZINC001099565907 787427510 /nfs/dbraw/zinc/42/75/10/787427510.db2.gz JYPGXTFNTVQLQE-HUUCEWRRSA-N 1 2 344.883 2.151 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H](C)OCC)CC2(CCOCC2)C1 ZINC001099565907 787427516 /nfs/dbraw/zinc/42/75/16/787427516.db2.gz JYPGXTFNTVQLQE-HUUCEWRRSA-N 1 2 344.883 2.151 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001062234209 787642083 /nfs/dbraw/zinc/64/20/83/787642083.db2.gz JMBRIEJOFDQXJS-QGZVFWFLSA-N 1 2 344.459 2.149 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001062262976 787745723 /nfs/dbraw/zinc/74/57/23/787745723.db2.gz RYYXPIPPAVDXJO-BZUAXINKSA-N 1 2 344.459 2.367 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001062262976 787745729 /nfs/dbraw/zinc/74/57/29/787745729.db2.gz RYYXPIPPAVDXJO-BZUAXINKSA-N 1 2 344.459 2.367 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001062281803 787785079 /nfs/dbraw/zinc/78/50/79/787785079.db2.gz NHAVVCJLJPSDOJ-DNVCBOLYSA-N 1 2 346.475 2.062 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001062286196 787809885 /nfs/dbraw/zinc/80/98/85/787809885.db2.gz RNJWBZNBLVNHMN-APWZRJJASA-N 1 2 346.475 2.373 20 30 EEEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)c(OC)co1 ZINC001109658974 805840304 /nfs/dbraw/zinc/84/03/04/805840304.db2.gz MXHKKERTHAPUOG-KBMXLJTQSA-N 1 2 346.427 2.226 20 30 EEEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(=O)c(OC)co1 ZINC001109658974 805840314 /nfs/dbraw/zinc/84/03/14/805840314.db2.gz MXHKKERTHAPUOG-KBMXLJTQSA-N 1 2 346.427 2.226 20 30 EEEDLO CCn1nc(C)c(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)n1 ZINC000824142188 788055233 /nfs/dbraw/zinc/05/52/33/788055233.db2.gz LPELNRGXVKJQLG-UHFFFAOYSA-N 1 2 335.415 2.168 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2occ3c2CCCC3)[C@H](O)C1 ZINC001090765811 788164250 /nfs/dbraw/zinc/16/42/50/788164250.db2.gz YFVBFQDIJHLUOE-LSDHHAIUSA-N 1 2 338.835 2.076 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2occ3c2CCCC3)[C@H](O)C1 ZINC001090765811 788164255 /nfs/dbraw/zinc/16/42/55/788164255.db2.gz YFVBFQDIJHLUOE-LSDHHAIUSA-N 1 2 338.835 2.076 20 30 EEEDLO CCCCC(=O)NC[C@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107744621 788216500 /nfs/dbraw/zinc/21/65/00/788216500.db2.gz HENVAIGGARCOSE-LJQANCHMSA-N 1 2 329.444 2.456 20 30 EEEDLO CCCCC(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107744621 788216505 /nfs/dbraw/zinc/21/65/05/788216505.db2.gz HENVAIGGARCOSE-LJQANCHMSA-N 1 2 329.444 2.456 20 30 EEEDLO Cc1ccc(C(=O)/C=C/C(=O)N2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000912537528 788231889 /nfs/dbraw/zinc/23/18/89/788231889.db2.gz HLEYAVLXMJHMDD-VOTSOKGWSA-N 1 2 342.439 2.057 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(c3ccccc3C)CC2)[C@@H](O)C1 ZINC001090843454 788525776 /nfs/dbraw/zinc/52/57/76/788525776.db2.gz IOULRAZAKXGIMK-IRXDYDNUSA-N 1 2 348.874 2.331 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(c3ccccc3C)CC2)[C@@H](O)C1 ZINC001090843454 788525781 /nfs/dbraw/zinc/52/57/81/788525781.db2.gz IOULRAZAKXGIMK-IRXDYDNUSA-N 1 2 348.874 2.331 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnc(C(C)C)s2)[C@@H](O)C1 ZINC001090859311 788607124 /nfs/dbraw/zinc/60/71/24/788607124.db2.gz VBMNLXBCBVEFJJ-NEPJUHHUSA-N 1 2 343.880 2.184 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnc(C(C)C)s2)[C@@H](O)C1 ZINC001090859311 788607126 /nfs/dbraw/zinc/60/71/26/788607126.db2.gz VBMNLXBCBVEFJJ-NEPJUHHUSA-N 1 2 343.880 2.184 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(C)[C@H]2CCCC[C@@H]2C)cc1 ZINC000151165101 788681995 /nfs/dbraw/zinc/68/19/95/788681995.db2.gz KLDSOZQFOOVWIT-BBRMVZONSA-N 1 2 333.432 2.369 20 30 EEEDLO C[C@@]1(CNC(=O)C2=CCCC2)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107866126 788896998 /nfs/dbraw/zinc/89/69/98/788896998.db2.gz IVQIIEBOBAFJMA-HXUWFJFHSA-N 1 2 339.439 2.376 20 30 EEEDLO C[C@@]1(CNC(=O)C2=CCCC2)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107866126 788897015 /nfs/dbraw/zinc/89/70/15/788897015.db2.gz IVQIIEBOBAFJMA-HXUWFJFHSA-N 1 2 339.439 2.376 20 30 EEEDLO CCCCCCCCOCC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913470496 788913448 /nfs/dbraw/zinc/91/34/48/788913448.db2.gz XPELHBGBYWHXSU-QGZVFWFLSA-N 1 2 336.480 2.270 20 30 EEEDLO C#CCC1(C(=O)N2CCC(OC3C[NH+](CC(=C)C)C3)CC2)CCC1 ZINC001105713358 789136240 /nfs/dbraw/zinc/13/62/40/789136240.db2.gz AJVPJESVHFWPHJ-UHFFFAOYSA-N 1 2 330.472 2.448 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001060262873 789207913 /nfs/dbraw/zinc/20/79/13/789207913.db2.gz FXDIJGHNWUESNY-INIZCTEOSA-N 1 2 346.475 2.064 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1CNc1ccc(C#N)nc1 ZINC001060263782 789212753 /nfs/dbraw/zinc/21/27/53/789212753.db2.gz AZYWQHXDXHYSDJ-MRXNPFEDSA-N 1 2 338.415 2.021 20 30 EEEDLO C=CC[NH+]1CCC([C@@H](C)NC(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000997254861 789525540 /nfs/dbraw/zinc/52/55/40/789525540.db2.gz GNHLJIOYHREXKR-CQSZACIVSA-N 1 2 339.443 2.488 20 30 EEEDLO C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001107945425 789676351 /nfs/dbraw/zinc/67/63/51/789676351.db2.gz GFIOOXDMNHYECP-BEFAXECRSA-N 1 2 346.475 2.003 20 30 EEEDLO C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001107945425 789676355 /nfs/dbraw/zinc/67/63/55/789676355.db2.gz GFIOOXDMNHYECP-BEFAXECRSA-N 1 2 346.475 2.003 20 30 EEEDLO CC[C@@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC001149206891 790031682 /nfs/dbraw/zinc/03/16/82/790031682.db2.gz IDSCYMJIGSMZPO-PBHICJAKSA-N 1 2 347.434 2.451 20 30 EEEDLO CC[C@@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC001149206891 790031688 /nfs/dbraw/zinc/03/16/88/790031688.db2.gz IDSCYMJIGSMZPO-PBHICJAKSA-N 1 2 347.434 2.451 20 30 EEEDLO C=CCCCC(=O)NC1(CNC(=O)Cc2c[nH+]ccc2OC)CCC1 ZINC001063494092 791197133 /nfs/dbraw/zinc/19/71/33/791197133.db2.gz AJPYFQOSQQRQFK-UHFFFAOYSA-N 1 2 345.443 2.144 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO[C@H]1CC1(F)F ZINC001032557938 791208898 /nfs/dbraw/zinc/20/88/98/791208898.db2.gz XTBVWVPCKLJDFM-IHRRRGAJSA-N 1 2 328.403 2.298 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO[C@H]1CC1(F)F ZINC001032557938 791208905 /nfs/dbraw/zinc/20/89/05/791208905.db2.gz XTBVWVPCKLJDFM-IHRRRGAJSA-N 1 2 328.403 2.298 20 30 EEEDLO C#Cc1cccc(NC(=O)C[NH2+][C@H](C(=O)N(C)C)c2ccccc2)c1 ZINC000172083244 791530838 /nfs/dbraw/zinc/53/08/38/791530838.db2.gz IPIKIKUCWCNTAT-IBGZPJMESA-N 1 2 335.407 2.026 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088955212 791726171 /nfs/dbraw/zinc/72/61/71/791726171.db2.gz XACXECNTYZBHHJ-RISCZKNCSA-N 1 2 330.413 2.309 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088955212 791726172 /nfs/dbraw/zinc/72/61/72/791726172.db2.gz XACXECNTYZBHHJ-RISCZKNCSA-N 1 2 330.413 2.309 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC1(CNC(=O)CCn2cc[nH+]c2)CCC1 ZINC001063788229 791731868 /nfs/dbraw/zinc/73/18/68/791731868.db2.gz IFVQLNXAUAQODH-HNNXBMFYSA-N 1 2 332.448 2.031 20 30 EEEDLO N#Cc1cccnc1NCC[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001063835569 791809173 /nfs/dbraw/zinc/80/91/73/791809173.db2.gz HONJEKLEYHWLQS-MRXNPFEDSA-N 1 2 338.415 2.033 20 30 EEEDLO N#Cc1ccc(NCC[C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)nc1 ZINC001063837677 791811933 /nfs/dbraw/zinc/81/19/33/791811933.db2.gz DOIXCRPBRVZFLJ-HNNXBMFYSA-N 1 2 338.415 2.102 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)c2n[nH]cc2C(F)(F)F)CC1 ZINC000998023619 791851836 /nfs/dbraw/zinc/85/18/36/791851836.db2.gz RZMCHFUCDDILET-GFCCVEGCSA-N 1 2 342.365 2.378 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2n[nH]cc2C(F)(F)F)CC1 ZINC000998023619 791851841 /nfs/dbraw/zinc/85/18/41/791851841.db2.gz RZMCHFUCDDILET-GFCCVEGCSA-N 1 2 342.365 2.378 20 30 EEEDLO Cc1nc(NC[C@@H]2[C@H](C)CCCN2C(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001063928801 791971891 /nfs/dbraw/zinc/97/18/91/791971891.db2.gz GBLVACULIUCITI-MLGOLLRUSA-N 1 2 338.415 2.338 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC2(C1)CC[N@H+](Cc1cscn1)C2 ZINC001147987114 792110275 /nfs/dbraw/zinc/11/02/75/792110275.db2.gz YCSILSNOXQCMES-KRWDZBQOSA-N 1 2 349.500 2.406 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC2(C1)CC[N@@H+](Cc1cscn1)C2 ZINC001147987114 792110281 /nfs/dbraw/zinc/11/02/81/792110281.db2.gz YCSILSNOXQCMES-KRWDZBQOSA-N 1 2 349.500 2.406 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1cn(C(C)C)nn1)C2 ZINC001148087399 792171513 /nfs/dbraw/zinc/17/15/13/792171513.db2.gz CRPQXGKPPFYYEH-CVEARBPZSA-N 1 2 345.491 2.352 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1cn(C(C)C)nn1)C2 ZINC001148087399 792171515 /nfs/dbraw/zinc/17/15/15/792171515.db2.gz CRPQXGKPPFYYEH-CVEARBPZSA-N 1 2 345.491 2.352 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nc(C3CC3)no1)C2 ZINC001148089073 792176740 /nfs/dbraw/zinc/17/67/40/792176740.db2.gz SHAYOMQFJVEKQR-KBPBESRZSA-N 1 2 344.459 2.440 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nc(C3CC3)no1)C2 ZINC001148089073 792176743 /nfs/dbraw/zinc/17/67/43/792176743.db2.gz SHAYOMQFJVEKQR-KBPBESRZSA-N 1 2 344.459 2.440 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1nn(CC)nc1C)C2 ZINC001148125225 792200925 /nfs/dbraw/zinc/20/09/25/792200925.db2.gz KSNRSRRQKFUBAB-INIZCTEOSA-N 1 2 345.491 2.243 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1nn(CC)nc1C)C2 ZINC001148125225 792200934 /nfs/dbraw/zinc/20/09/34/792200934.db2.gz KSNRSRRQKFUBAB-INIZCTEOSA-N 1 2 345.491 2.243 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[C@@H]2CNc2cc[nH+]c(C)n2)c1 ZINC001064137553 792543191 /nfs/dbraw/zinc/54/31/91/792543191.db2.gz JNVJWWBGOBRYFO-NVXWUHKLSA-N 1 2 335.411 2.172 20 30 EEEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C(C)(C)CCC)CC2 ZINC001128032645 792653180 /nfs/dbraw/zinc/65/31/80/792653180.db2.gz JNWPUIUPJYJTST-OAHLLOKOSA-N 1 2 345.491 2.038 20 30 EEEDLO C=CCCOCC(=O)N1CC2(C1)CC[N@@H+](Cc1csc(CC)n1)C2 ZINC001148874281 792732516 /nfs/dbraw/zinc/73/25/16/792732516.db2.gz PDOQURLNURNKPA-UHFFFAOYSA-N 1 2 349.500 2.333 20 30 EEEDLO C=CCCOCC(=O)N1CC2(C1)CC[N@H+](Cc1csc(CC)n1)C2 ZINC001148874281 792732525 /nfs/dbraw/zinc/73/25/25/792732525.db2.gz PDOQURLNURNKPA-UHFFFAOYSA-N 1 2 349.500 2.333 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ccn(C(C)C)n1)C2 ZINC001148900076 792770328 /nfs/dbraw/zinc/77/03/28/792770328.db2.gz QPQGJVVIYXVGRO-INIZCTEOSA-N 1 2 346.475 2.089 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ccn(C(C)C)n1)C2 ZINC001148900076 792770335 /nfs/dbraw/zinc/77/03/35/792770335.db2.gz QPQGJVVIYXVGRO-INIZCTEOSA-N 1 2 346.475 2.089 20 30 EEEDLO C=CCCOCC(=O)N1CC2(C1)CC[N@@H+](CC(=C)Br)C2 ZINC001148886995 792791968 /nfs/dbraw/zinc/79/19/68/792791968.db2.gz BWMGYZBVJHZWPF-UHFFFAOYSA-N 1 2 343.265 2.022 20 30 EEEDLO C=CCCOCC(=O)N1CC2(C1)CC[N@H+](CC(=C)Br)C2 ZINC001148886995 792791971 /nfs/dbraw/zinc/79/19/71/792791971.db2.gz BWMGYZBVJHZWPF-UHFFFAOYSA-N 1 2 343.265 2.022 20 30 EEEDLO C=CCCCC(=O)NCC1(NC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001064278361 792796193 /nfs/dbraw/zinc/79/61/93/792796193.db2.gz GMZMDXIRIYLOHD-UHFFFAOYSA-N 1 2 332.448 2.175 20 30 EEEDLO CCCC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC001149027471 792859169 /nfs/dbraw/zinc/85/91/69/792859169.db2.gz HFSWMIGKOFDCOC-MRXNPFEDSA-N 1 2 333.407 2.205 20 30 EEEDLO CCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC001149027471 792859179 /nfs/dbraw/zinc/85/91/79/792859179.db2.gz HFSWMIGKOFDCOC-MRXNPFEDSA-N 1 2 333.407 2.205 20 30 EEEDLO C[N@@H+](Cc1cscn1)C[C@@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001089157388 792883473 /nfs/dbraw/zinc/88/34/73/792883473.db2.gz AJYYPHIZFQCVOT-HNNXBMFYSA-N 1 2 343.456 2.470 20 30 EEEDLO C[N@H+](Cc1cscn1)C[C@@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001089157388 792883482 /nfs/dbraw/zinc/88/34/82/792883482.db2.gz AJYYPHIZFQCVOT-HNNXBMFYSA-N 1 2 343.456 2.470 20 30 EEEDLO C=C1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](Cc2cn(C)nn2)CC3)CC1 ZINC000992150132 792932165 /nfs/dbraw/zinc/93/21/65/792932165.db2.gz HFZXCUZSVPNTCF-IEBWSBKVSA-N 1 2 343.475 2.175 20 30 EEEDLO C=C1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](Cc2cn(C)nn2)CC3)CC1 ZINC000992150132 792932168 /nfs/dbraw/zinc/93/21/68/792932168.db2.gz HFZXCUZSVPNTCF-IEBWSBKVSA-N 1 2 343.475 2.175 20 30 EEEDLO C=CCC1(C(=O)NCC2(NC(=O)CCn3cc[nH+]c3)CCC2)CCC1 ZINC001064408364 792998910 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EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1C[C@H]1C1CC1)c1nccn12 ZINC001092384890 793879240 /nfs/dbraw/zinc/87/92/40/793879240.db2.gz MIHXFFVZJPALGU-JYJNAYRXSA-N 1 2 326.444 2.077 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)cccc1C)c1nccn12 ZINC001092397839 793896692 /nfs/dbraw/zinc/89/66/92/793896692.db2.gz FLZKGBIYXZNSTB-QGZVFWFLSA-N 1 2 348.450 2.409 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(CC)cc1)c1nccn12 ZINC001092411145 793960462 /nfs/dbraw/zinc/96/04/62/793960462.db2.gz VMBAWYOMELRWHN-GOSISDBHSA-N 1 2 348.450 2.355 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)nsc1C)c1nccn12 ZINC001092413781 793965098 /nfs/dbraw/zinc/96/50/98/793965098.db2.gz FUMABTLUWBXYKB-ZDUSSCGKSA-N 1 2 343.456 2.028 20 30 EEEDLO N#Cc1ccc(NC[C@@H]2CCCN2C(=O)c2cccc3[nH+]ccn32)cn1 ZINC001064973385 794039856 /nfs/dbraw/zinc/03/98/56/794039856.db2.gz QBKCALLPBYFJKR-INIZCTEOSA-N 1 2 346.394 2.318 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(Cc2ccccc2F)CC1 ZINC001032672997 794062463 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795918655 /nfs/dbraw/zinc/91/86/55/795918655.db2.gz ULTWRDFVXNUKAL-WBMJQRKESA-N 1 2 341.415 2.274 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)oc1C ZINC000993206951 795918657 /nfs/dbraw/zinc/91/86/57/795918657.db2.gz ULTWRDFVXNUKAL-WBMJQRKESA-N 1 2 341.415 2.274 20 30 EEEDLO C=CCCCC(=O)N(CC)C1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001080387892 795931157 /nfs/dbraw/zinc/93/11/57/795931157.db2.gz VHLKNKIAPMZWER-UHFFFAOYSA-N 1 2 346.475 2.342 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3noc4c3COCC4)C[C@H]2C)C1 ZINC001080404403 795978980 /nfs/dbraw/zinc/97/89/80/795978980.db2.gz GJBAVWDQMKAMAI-UKRRQHHQSA-N 1 2 345.443 2.040 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3noc4c3COCC4)C[C@H]2C)C1 ZINC001080404403 795978983 /nfs/dbraw/zinc/97/89/83/795978983.db2.gz GJBAVWDQMKAMAI-UKRRQHHQSA-N 1 2 345.443 2.040 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)NCCNc2ncc(C#N)cc2Cl)c[nH+]1 ZINC001094222348 796005038 /nfs/dbraw/zinc/00/50/38/796005038.db2.gz BRHIZLSRLDERSR-UHFFFAOYSA-N 1 2 346.822 2.075 20 30 EEEDLO C=CCC1(C(=O)N(CC)C2CN(C(=O)Cc3[nH]c[nH+]c3C)C2)CCC1 ZINC001080469263 796044491 /nfs/dbraw/zinc/04/44/91/796044491.db2.gz YGANLJCOVHNJFN-UHFFFAOYSA-N 1 2 344.459 2.066 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCCC[C@H]3CC)nn2)C1 ZINC001094332655 796106509 /nfs/dbraw/zinc/10/65/09/796106509.db2.gz XAJKIJSTBHRXIB-RHSMWYFYSA-N 1 2 331.464 2.153 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3CCC(C4CC4)CC3)nn2)C1 ZINC001094336695 796109994 /nfs/dbraw/zinc/10/99/94/796109994.db2.gz MRYJPZCAJFOQBT-UHFFFAOYSA-N 1 2 343.475 2.153 20 30 EEEDLO Cc1nc(NCCCNC(=O)c2cc(C#N)c[nH]2)c2c([nH+]1)CCCC2 ZINC001094362892 796161984 /nfs/dbraw/zinc/16/19/84/796161984.db2.gz QWZHVMYBYUHNJG-UHFFFAOYSA-N 1 2 338.415 2.096 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CCOCC2)C1 ZINC001080625199 796256860 /nfs/dbraw/zinc/25/68/60/796256860.db2.gz WKXIGPJAJQMVAY-DGCLKSJQSA-N 1 2 345.281 2.148 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CCOCC2)C1 ZINC001080625199 796256866 /nfs/dbraw/zinc/25/68/66/796256866.db2.gz WKXIGPJAJQMVAY-DGCLKSJQSA-N 1 2 345.281 2.148 20 30 EEEDLO C=CCC1(C(=O)N2CC(N(CC)C(=O)Cc3c[nH+]c[nH]3)C2)CCCC1 ZINC001080632101 796266371 /nfs/dbraw/zinc/26/63/71/796266371.db2.gz SVFTXFJBOVGWDC-UHFFFAOYSA-N 1 2 344.459 2.148 20 30 EEEDLO Cc1cccn2cc(CC(=O)NCCCNc3ccc(C#N)cn3)[nH+]c12 ZINC001094488649 796279262 /nfs/dbraw/zinc/27/92/62/796279262.db2.gz AENCSPKBAMBRIY-UHFFFAOYSA-N 1 2 348.410 2.070 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+]([C@H](C)c2ncccn2)C[C@H]1C ZINC001080851462 796434632 /nfs/dbraw/zinc/43/46/32/796434632.db2.gz KSZXGQPOOYUGCU-GPMSIDNRSA-N 1 2 348.450 2.198 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ncccn2)C[C@H]1C ZINC001080851462 796434637 /nfs/dbraw/zinc/43/46/37/796434637.db2.gz KSZXGQPOOYUGCU-GPMSIDNRSA-N 1 2 348.450 2.198 20 30 EEEDLO N#Cc1ccc(NCCCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC001094687531 796532811 /nfs/dbraw/zinc/53/28/11/796532811.db2.gz QFRBUVRHWOPMMK-UHFFFAOYSA-N 1 2 346.394 2.371 20 30 EEEDLO C=CCCC(=O)N1CCC(CN(CC)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001081061663 796573889 /nfs/dbraw/zinc/57/38/89/796573889.db2.gz AQDQKNQRNSXORM-UHFFFAOYSA-N 1 2 346.475 2.314 20 30 EEEDLO C=CCCC(=O)N(CC)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001081113630 796655767 /nfs/dbraw/zinc/65/57/67/796655767.db2.gz ZSRQUYPCHPXCHD-UHFFFAOYSA-N 1 2 332.448 2.006 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnc3n[nH]cc3c2)[C@H]1C ZINC000993477619 796727264 /nfs/dbraw/zinc/72/72/64/796727264.db2.gz IZAIZMGMZZKNSR-BXUZGUMPSA-N 1 2 333.823 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnc3n[nH]cc3c2)[C@H]1C ZINC000993477619 796727266 /nfs/dbraw/zinc/72/72/66/796727266.db2.gz IZAIZMGMZZKNSR-BXUZGUMPSA-N 1 2 333.823 2.293 20 30 EEEDLO C[C@H](CC(=O)N1CC[C@@H](CNc2ccc(C#N)cn2)C1)n1cc[nH+]c1 ZINC001061001608 796824728 /nfs/dbraw/zinc/82/47/28/796824728.db2.gz QSWZAAJFLWPQLI-ZBFHGGJFSA-N 1 2 338.415 2.061 20 30 EEEDLO CCOC(=O)c1cnc2n1CC[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172311565 796952703 /nfs/dbraw/zinc/95/27/03/796952703.db2.gz UZAVOHLCAAHOPP-AWEZNQCLSA-N 1 2 338.411 2.378 20 30 EEEDLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172311565 796952709 /nfs/dbraw/zinc/95/27/09/796952709.db2.gz UZAVOHLCAAHOPP-AWEZNQCLSA-N 1 2 338.411 2.378 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001061007418 796962108 /nfs/dbraw/zinc/96/21/08/796962108.db2.gz AZPWNVCKMFWGKC-XHSDSOJGSA-N 1 2 330.432 2.027 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001061008130 797000156 /nfs/dbraw/zinc/00/01/56/797000156.db2.gz UNZKROLPAYXJQO-ZOBUZTSGSA-N 1 2 330.432 2.027 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1(C)CCCC1 ZINC001081997575 797070558 /nfs/dbraw/zinc/07/05/58/797070558.db2.gz FWZNVAKDPQCXEL-QZTJIDSGSA-N 1 2 341.455 2.454 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C1(C)CCCC1 ZINC001081997575 797070563 /nfs/dbraw/zinc/07/05/63/797070563.db2.gz FWZNVAKDPQCXEL-QZTJIDSGSA-N 1 2 341.455 2.454 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)NCCCCCCNc1ccc(C#N)cn1 ZINC001094964012 797121059 /nfs/dbraw/zinc/12/10/59/797121059.db2.gz XLMZTKKKDFVDMQ-UHFFFAOYSA-N 1 2 340.431 2.316 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2cc(Cl)cn2)[C@@H]1C ZINC000993906159 797148057 /nfs/dbraw/zinc/14/80/57/797148057.db2.gz UTVYDMAREZNBJO-AAEUAGOBSA-N 1 2 331.247 2.258 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc(Cl)cn2)[C@@H]1C ZINC000993906159 797148061 /nfs/dbraw/zinc/14/80/61/797148061.db2.gz UTVYDMAREZNBJO-AAEUAGOBSA-N 1 2 331.247 2.258 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1(C)CC=CC1 ZINC001082099508 797171117 /nfs/dbraw/zinc/17/11/17/797171117.db2.gz ZAIXHYKLQVGOEQ-HZPDHXFCSA-N 1 2 345.468 2.291 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1(C)CC=CC1 ZINC001082099508 797171118 /nfs/dbraw/zinc/17/11/18/797171118.db2.gz ZAIXHYKLQVGOEQ-HZPDHXFCSA-N 1 2 345.468 2.291 20 30 EEEDLO Cc1nsc(NCCCCCCNC(=O)Cc2c[nH]c[nH+]2)c1C#N ZINC001095001986 797214028 /nfs/dbraw/zinc/21/40/28/797214028.db2.gz ZQYCXPZESQMMKU-UHFFFAOYSA-N 1 2 346.460 2.378 20 30 EEEDLO Cc1nsc(N[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C2)c1C#N ZINC001095047585 797276410 /nfs/dbraw/zinc/27/64/10/797276410.db2.gz XYWFOFGYVFMTJE-CYBMUJFWSA-N 1 2 344.444 2.013 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC[C@@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001095121993 797392609 /nfs/dbraw/zinc/39/26/09/797392609.db2.gz AIKJWWUGEAUMRF-GOEBONIOSA-N 1 2 332.448 2.030 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccns3)[C@H]2C)cn1 ZINC000994244023 797492632 /nfs/dbraw/zinc/49/26/32/797492632.db2.gz AHENABCZDGPSKS-SUMWQHHRSA-N 1 2 340.452 2.302 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccns3)[C@H]2C)cn1 ZINC000994244023 797492636 /nfs/dbraw/zinc/49/26/36/797492636.db2.gz AHENABCZDGPSKS-SUMWQHHRSA-N 1 2 340.452 2.302 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCC(Nc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001095246286 797557876 /nfs/dbraw/zinc/55/78/76/797557876.db2.gz KZHMFYYRDYYPPH-CQSZACIVSA-N 1 2 346.479 2.251 20 30 EEEDLO Cc1nccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)[C@H]2C)n1 ZINC000994449635 798019501 /nfs/dbraw/zinc/01/95/01/798019501.db2.gz IVGCFBUKQGTJEA-KSSFIOAISA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1nccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)[C@H]2C)n1 ZINC000994449635 798019509 /nfs/dbraw/zinc/01/95/09/798019509.db2.gz IVGCFBUKQGTJEA-KSSFIOAISA-N 1 2 349.438 2.440 20 30 EEEDLO CC/C(C)=C/C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212222911 798086576 /nfs/dbraw/zinc/08/65/76/798086576.db2.gz BKOGNXRNDAQOCA-QWXUZBRKSA-N 1 2 327.428 2.230 20 30 EEEDLO CC/C(C)=C/C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212222911 798086579 /nfs/dbraw/zinc/08/65/79/798086579.db2.gz BKOGNXRNDAQOCA-QWXUZBRKSA-N 1 2 327.428 2.230 20 30 EEEDLO Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)s1 ZINC001002620864 798333755 /nfs/dbraw/zinc/33/37/55/798333755.db2.gz QKECXCRMCYZCAI-SNVBAGLBSA-N 1 2 344.444 2.002 20 30 EEEDLO N#Cc1ccc(C(=O)NC2CC[NH+](C/C(Cl)=C\Cl)CC2)[nH]1 ZINC001002627942 798355745 /nfs/dbraw/zinc/35/57/45/798355745.db2.gz SYMPUYKTJBTBAO-JXMROGBWSA-N 1 2 327.215 2.400 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001089401624 798384427 /nfs/dbraw/zinc/38/44/27/798384427.db2.gz XFOOIBPEHAPESR-STQMWFEESA-N 1 2 330.436 2.415 20 30 EEEDLO Cc1nc(N[C@@H]2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)ccc1C#N ZINC001061135660 798523460 /nfs/dbraw/zinc/52/34/60/798523460.db2.gz GWHWUURIKQBIDU-CABCVRRESA-N 1 2 338.415 2.067 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccccc3C)C[C@@H]21 ZINC001176892963 798617508 /nfs/dbraw/zinc/61/75/08/798617508.db2.gz HSPFMALSNARTCL-OALUTQOASA-N 1 2 344.455 2.113 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccccc3C)C[C@@H]21 ZINC001176892963 798617510 /nfs/dbraw/zinc/61/75/10/798617510.db2.gz HSPFMALSNARTCL-OALUTQOASA-N 1 2 344.455 2.113 20 30 EEEDLO C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)c3scnc3C)C[C@@H]21 ZINC001176922941 798628654 /nfs/dbraw/zinc/62/86/54/798628654.db2.gz FBDMBOVHQAVVCK-GJZGRUSLSA-N 1 2 335.473 2.333 20 30 EEEDLO C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3scnc3C)C[C@@H]21 ZINC001176922941 798628657 /nfs/dbraw/zinc/62/86/57/798628657.db2.gz FBDMBOVHQAVVCK-GJZGRUSLSA-N 1 2 335.473 2.333 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]2OCC[N@H+](CCOC3CCC3)[C@H]2C1 ZINC001177087462 798741954 /nfs/dbraw/zinc/74/19/54/798741954.db2.gz DJDCPRYITWCEIX-ZWKOTPCHSA-N 1 2 336.476 2.214 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]2OCC[N@@H+](CCOC3CCC3)[C@H]2C1 ZINC001177087462 798741960 /nfs/dbraw/zinc/74/19/60/798741960.db2.gz DJDCPRYITWCEIX-ZWKOTPCHSA-N 1 2 336.476 2.214 20 30 EEEDLO C=CCOCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nccs1 ZINC001098970570 798749806 /nfs/dbraw/zinc/74/98/06/798749806.db2.gz DJPRSTDHIQHFKH-AWEZNQCLSA-N 1 2 337.489 2.453 20 30 EEEDLO C=CCOCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nccs1 ZINC001098970570 798749812 /nfs/dbraw/zinc/74/98/12/798749812.db2.gz DJPRSTDHIQHFKH-AWEZNQCLSA-N 1 2 337.489 2.453 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3(CC#C)CCCCC3)C[C@H]21 ZINC001177156246 798778997 /nfs/dbraw/zinc/77/89/97/798778997.db2.gz GALPHGGTZVERMQ-RTBURBONSA-N 1 2 342.483 2.285 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(CC#C)CCCCC3)C[C@H]21 ZINC001177156246 798778999 /nfs/dbraw/zinc/77/89/99/798778999.db2.gz GALPHGGTZVERMQ-RTBURBONSA-N 1 2 342.483 2.285 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3(CC#C)CCCCC3)C[C@H]21 ZINC001177156243 798779436 /nfs/dbraw/zinc/77/94/36/798779436.db2.gz GALPHGGTZVERMQ-MOPGFXCFSA-N 1 2 342.483 2.285 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3(CC#C)CCCCC3)C[C@H]21 ZINC001177156243 798779439 /nfs/dbraw/zinc/77/94/39/798779439.db2.gz GALPHGGTZVERMQ-MOPGFXCFSA-N 1 2 342.483 2.285 20 30 EEEDLO CN(c1cccc(F)c1C#N)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001061219112 799014048 /nfs/dbraw/zinc/01/40/48/799014048.db2.gz YEIOKRDINWQHID-AWEZNQCLSA-N 1 2 341.390 2.021 20 30 EEEDLO C=CCC1(C(=O)NCCC[NH2+]Cc2nnn(C(C)(C)C)n2)CCCC1 ZINC001177548128 799023718 /nfs/dbraw/zinc/02/37/18/799023718.db2.gz QLESMHLIZSNFLP-UHFFFAOYSA-N 1 2 348.495 2.161 20 30 EEEDLO C[C@H](C(=O)Nc1c(C#N)c(CC#N)nn1-c1ccccc1)n1cc[nH+]c1 ZINC001177922916 799182634 /nfs/dbraw/zinc/18/26/34/799182634.db2.gz RKQJXUVETNJGNL-CYBMUJFWSA-N 1 2 345.366 2.206 20 30 EEEDLO N#Cc1cnc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c(Br)c1 ZINC001178101513 799266075 /nfs/dbraw/zinc/26/60/75/799266075.db2.gz YUFGBYLWKVABPJ-SNVBAGLBSA-N 1 2 346.188 2.113 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]c3ccccc23)C1 ZINC001108054936 799312110 /nfs/dbraw/zinc/31/21/10/799312110.db2.gz FAVFXOXBOUNHRK-IBGZPJMESA-N 1 2 325.412 2.012 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]c3ccccc23)C1 ZINC001108054936 799312114 /nfs/dbraw/zinc/31/21/14/799312114.db2.gz FAVFXOXBOUNHRK-IBGZPJMESA-N 1 2 325.412 2.012 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C3CCC3)C2)CC1 ZINC001065677069 799327454 /nfs/dbraw/zinc/32/74/54/799327454.db2.gz OBSXWOMBHDMTOQ-QGZVFWFLSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)C3(C)CC3)C2)CC1 ZINC001065706306 799356027 /nfs/dbraw/zinc/35/60/27/799356027.db2.gz IVPFVWUQDPNONU-IRXDYDNUSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@H](C)CC(C)C)CC2)C1 ZINC001065692169 799368223 /nfs/dbraw/zinc/36/82/23/799368223.db2.gz PQULHCUEBLNURW-QZTJIDSGSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@H](C)C(C)(C)C)CC2)C1 ZINC001065695120 799375127 /nfs/dbraw/zinc/37/51/27/799375127.db2.gz REGXXJROMQZTOC-IRXDYDNUSA-N 1 2 349.519 2.380 20 30 EEEDLO C[C@H]1[C@@H]([NH2+]Cc2nc(C(F)F)no2)CCN1C(=O)C#CC(C)(C)C ZINC001178671785 799571543 /nfs/dbraw/zinc/57/15/43/799571543.db2.gz QFTSKJVNXNAMDF-QWRGUYRKSA-N 1 2 340.374 2.136 20 30 EEEDLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1CNc1cccc(F)c1C#N ZINC001065871557 799635607 /nfs/dbraw/zinc/63/56/07/799635607.db2.gz FSOBCHZZAKJQKF-STQMWFEESA-N 1 2 341.390 2.170 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001095310560 800044405 /nfs/dbraw/zinc/04/44/05/800044405.db2.gz AFCHAMHDCGHEHI-OAHLLOKOSA-N 1 2 343.475 2.224 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001095310560 800044410 /nfs/dbraw/zinc/04/44/10/800044410.db2.gz AFCHAMHDCGHEHI-OAHLLOKOSA-N 1 2 343.475 2.224 20 30 EEEDLO CN(C(=O)c1cncs1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001032943630 800498300 /nfs/dbraw/zinc/49/83/00/800498300.db2.gz VBJFKAQLNBQFDM-HNNXBMFYSA-N 1 2 326.425 2.361 20 30 EEEDLO CN(C(=O)c1cncs1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001032943630 800498303 /nfs/dbraw/zinc/49/83/03/800498303.db2.gz VBJFKAQLNBQFDM-HNNXBMFYSA-N 1 2 326.425 2.361 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCO1 ZINC001085472097 800584274 /nfs/dbraw/zinc/58/42/74/800584274.db2.gz FQJIBILEUCGSSS-MSOLQXFVSA-N 1 2 346.858 2.403 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCO1 ZINC001085472097 800584277 /nfs/dbraw/zinc/58/42/77/800584277.db2.gz FQJIBILEUCGSSS-MSOLQXFVSA-N 1 2 346.858 2.403 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C(=O)C1=COCCC1 ZINC001085510126 800664980 /nfs/dbraw/zinc/66/49/80/800664980.db2.gz NRGUYXPRZHXASG-KRWDZBQOSA-N 1 2 343.402 2.424 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)C1=COCCC1 ZINC001085510126 800664982 /nfs/dbraw/zinc/66/49/82/800664982.db2.gz NRGUYXPRZHXASG-KRWDZBQOSA-N 1 2 343.402 2.424 20 30 EEEDLO Cc1[nH]nc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)c1C ZINC001085522135 800696324 /nfs/dbraw/zinc/69/63/24/800696324.db2.gz FUMJFRNJQWRZLA-ZDUSSCGKSA-N 1 2 343.456 2.306 20 30 EEEDLO Cc1[nH]nc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)c1C ZINC001085522135 800696330 /nfs/dbraw/zinc/69/63/30/800696330.db2.gz FUMJFRNJQWRZLA-ZDUSSCGKSA-N 1 2 343.456 2.306 20 30 EEEDLO C=CCCC(=O)N[C@@H](C)CCCCNc1[nH+]cnc2c1cnn2C ZINC001090060416 800826879 /nfs/dbraw/zinc/82/68/79/800826879.db2.gz IYSSGIRRUPHVNT-ZDUSSCGKSA-N 1 2 330.436 2.416 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC001004056981 800875688 /nfs/dbraw/zinc/87/56/88/800875688.db2.gz ZKPAFBHPNFQQMV-MRXNPFEDSA-N 1 2 348.450 2.342 20 30 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CCC[C@@H](CC(C)C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131130711 812421215 /nfs/dbraw/zinc/42/12/15/812421215.db2.gz ZPJSBESGZUZBFP-GVDBMIGSSA-N 1 2 345.491 2.290 20 30 EEEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001131385712 812746809 /nfs/dbraw/zinc/74/68/09/812746809.db2.gz KSAGYKWDTVVIQK-MRXNPFEDSA-N 1 2 337.508 2.285 20 30 EEEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001131385712 812746813 /nfs/dbraw/zinc/74/68/13/812746813.db2.gz KSAGYKWDTVVIQK-MRXNPFEDSA-N 1 2 337.508 2.285 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H](C)O[C@@]2(CC[N@H+](Cc3ccon3)C2)C1 ZINC001131660620 813086517 /nfs/dbraw/zinc/08/65/17/813086517.db2.gz BEMYUCZHRBJMIU-MAUKXSAKSA-N 1 2 333.432 2.223 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H](C)O[C@@]2(CC[N@@H+](Cc3ccon3)C2)C1 ZINC001131660620 813086526 /nfs/dbraw/zinc/08/65/26/813086526.db2.gz BEMYUCZHRBJMIU-MAUKXSAKSA-N 1 2 333.432 2.223 20 30 EEEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1nocc1C ZINC001437760492 1090334778 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C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCc2ccc(=O)[nH]c2)[C@H]1C ZINC001441886168 1096018079 /nfs/dbraw/zinc/01/80/79/1096018079.db2.gz BGSXSBHGWMRGSM-HIFRSBDPSA-N 1 2 337.851 2.441 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCc2ccc(=O)[nH]c2)[C@H]1C ZINC001441886168 1096018091 /nfs/dbraw/zinc/01/80/91/1096018091.db2.gz BGSXSBHGWMRGSM-HIFRSBDPSA-N 1 2 337.851 2.441 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2nccn3ccnc23)C1 ZINC001443191926 1097636655 /nfs/dbraw/zinc/63/66/55/1097636655.db2.gz KEEQSABCVMWFEO-AWEZNQCLSA-N 1 2 347.850 2.408 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2nccn3ccnc23)C1 ZINC001443191926 1097636660 /nfs/dbraw/zinc/63/66/60/1097636660.db2.gz KEEQSABCVMWFEO-AWEZNQCLSA-N 1 2 347.850 2.408 20 30 EEEDLO N#Cc1cc(C(=O)Nc2ccc(C(N)=O)cc2-n2cc[nH+]c2)cs1 ZINC001460252110 1110260679 /nfs/dbraw/zinc/26/06/79/1110260679.db2.gz IAKVITUJKYSYNP-UHFFFAOYSA-N 1 2 337.364 2.157 20 30 EEEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccn1 ZINC001463586972 1110377074 /nfs/dbraw/zinc/37/70/74/1110377074.db2.gz DPKFRGOWJXFXJY-MRXNPFEDSA-N 1 2 334.423 2.401 20 30 EEEDLO COc1ncc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1C#N ZINC001467271237 1110452292 /nfs/dbraw/zinc/45/22/92/1110452292.db2.gz ZWLPGEJWRUWJLX-AWEZNQCLSA-N 1 2 342.403 2.395 20 30 EEEDLO CCc1[nH]c(CNC(=O)CCCC(=O)Nc2ccccc2C#N)c[nH+]1 ZINC001472019133 1110538311 /nfs/dbraw/zinc/53/83/11/1110538311.db2.gz UCRHLMNUGVEJPK-UHFFFAOYSA-N 1 2 339.399 2.269 20 30 EEEDLO CCc1[nH]cc(CNC(=O)CCCC(=O)Nc2ccccc2C#N)[nH+]1 ZINC001472019133 1110538312 /nfs/dbraw/zinc/53/83/12/1110538312.db2.gz UCRHLMNUGVEJPK-UHFFFAOYSA-N 1 2 339.399 2.269 20 30 EEEDLO C=C(C)CN(C)c1nnc(C[NH+]2CCCCC2)n1C[C@@H]1CCOC1 ZINC001526100431 1120439124 /nfs/dbraw/zinc/43/91/24/1120439124.db2.gz NIBVPYXRLYVPPM-INIZCTEOSA-N 1 2 333.480 2.313 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccns3)C2)CCOCC1 ZINC001567882761 1124155868 /nfs/dbraw/zinc/15/58/68/1124155868.db2.gz DDIZBKPSXWGRJJ-AWEZNQCLSA-N 1 2 335.473 2.207 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccns3)C2)CCOCC1 ZINC001567882761 1124155870 /nfs/dbraw/zinc/15/58/70/1124155870.db2.gz DDIZBKPSXWGRJJ-AWEZNQCLSA-N 1 2 335.473 2.207 20 30 EEEDLO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C[C@H](C#N)CCC#N ZINC000112559934 529895315 /nfs/dbraw/zinc/89/53/15/529895315.db2.gz IOEPUGYFIQECSP-HNNXBMFYSA-N 1 2 349.456 2.234 20 30 EEEDLO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C[C@H](C#N)CCC#N ZINC000112559934 529895316 /nfs/dbraw/zinc/89/53/16/529895316.db2.gz IOEPUGYFIQECSP-HNNXBMFYSA-N 1 2 349.456 2.234 20 30 EEEDLO CCC[N@@H+]1CC[C@H](CNC(=O)N=c2nc(C(C)(C)C)[nH]s2)C1 ZINC000329350139 539771913 /nfs/dbraw/zinc/77/19/13/539771913.db2.gz WSDHQAUGAHMCSF-LLVKDONJSA-N 1 2 325.482 2.315 20 30 EEEDLO CCC[N@H+]1CC[C@H](CNC(=O)N=c2nc(C(C)(C)C)[nH]s2)C1 ZINC000329350139 539771916 /nfs/dbraw/zinc/77/19/16/539771916.db2.gz WSDHQAUGAHMCSF-LLVKDONJSA-N 1 2 325.482 2.315 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CCC(C)(O)CC1)C2 ZINC000329909841 539785256 /nfs/dbraw/zinc/78/52/56/539785256.db2.gz MUNFVLGNATXOOT-CYBMUJFWSA-N 1 2 334.464 2.256 20 30 EEEDLO Cc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1Cl ZINC000103078000 237074237 /nfs/dbraw/zinc/07/42/37/237074237.db2.gz CRMDRPVASHKWTD-UHFFFAOYSA-N 1 2 335.835 2.337 20 30 EEEDLO NC(COc1cccc(F)c1)=[NH+]OCC1CCC2(CC1)OCCO2 ZINC000192190815 237299430 /nfs/dbraw/zinc/29/94/30/237299430.db2.gz XZEPNLTWBAWQRZ-UHFFFAOYSA-N 1 2 338.379 2.427 20 30 EEEDLO Cc1noc(C2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)n1 ZINC000193544164 237397546 /nfs/dbraw/zinc/39/75/46/237397546.db2.gz RZTUVBVRAMHWEM-ZDUSSCGKSA-N 1 2 345.447 2.289 20 30 EEEDLO N#Cc1ccc(NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000426161973 241227604 /nfs/dbraw/zinc/22/76/04/241227604.db2.gz PNJDRUDIAZKFAV-UHFFFAOYSA-N 1 2 344.806 2.284 20 30 EEEDLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)CC1(CC#N)CC1 ZINC000451585902 243166356 /nfs/dbraw/zinc/16/63/56/243166356.db2.gz XDRUYMPVHMXWKR-HNNXBMFYSA-N 1 2 344.440 2.455 20 30 EEEDLO Cn1c[nH+]cc1CCN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000459435750 245121101 /nfs/dbraw/zinc/12/11/01/245121101.db2.gz IZEPVSCSYGYPGH-SFHVURJKSA-N 1 2 343.862 2.498 20 30 EEEDLO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cnn1C ZINC000459406267 245109662 /nfs/dbraw/zinc/10/96/62/245109662.db2.gz CGZNSBSPGCEHAI-DOTOQJQBSA-N 1 2 341.371 2.128 20 30 EEEDLO C#CCN(C)C(=O)C(=O)Nc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1 ZINC000491514507 246055753 /nfs/dbraw/zinc/05/57/53/246055753.db2.gz IIAHQXPPGYUFPJ-UHFFFAOYSA-N 1 2 346.390 2.340 20 30 EEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000264083691 246050108 /nfs/dbraw/zinc/05/01/08/246050108.db2.gz FGMITYLWSGUVRI-KGLIPLIRSA-N 1 2 337.414 2.334 20 30 EEEDLO N#Cc1ccc(CN[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)o1 ZINC000266128225 248116098 /nfs/dbraw/zinc/11/60/98/248116098.db2.gz CBOQUIRDARQWGW-VQIMIIECSA-N 1 2 325.412 2.124 20 30 EEEDLO N#Cc1ccc(CN[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)o1 ZINC000266128225 248116102 /nfs/dbraw/zinc/11/61/02/248116102.db2.gz CBOQUIRDARQWGW-VQIMIIECSA-N 1 2 325.412 2.124 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2ncc(C)s2)CC1 ZINC000267426967 251048032 /nfs/dbraw/zinc/04/80/32/251048032.db2.gz LQPKIVSGNXFCKR-HNNXBMFYSA-N 1 2 334.489 2.163 20 30 EEEDLO C[C@H](N1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000268611679 252065452 /nfs/dbraw/zinc/06/54/52/252065452.db2.gz KWTGDQLJWWJIHF-SWLSCSKDSA-N 1 2 327.350 2.160 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)C[C@@H]2CN(c3ccccc3)C(=O)O2)n1 ZINC000491554379 533215216 /nfs/dbraw/zinc/21/52/16/533215216.db2.gz IPALVEGQLFXXQS-GOSISDBHSA-N 1 2 338.411 2.364 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2CN(c3ccccc3)C(=O)O2)n1 ZINC000491554379 533215223 /nfs/dbraw/zinc/21/52/23/533215223.db2.gz IPALVEGQLFXXQS-GOSISDBHSA-N 1 2 338.411 2.364 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc3c(c2)ncn3C)n1 ZINC000491810212 533219550 /nfs/dbraw/zinc/21/95/50/533219550.db2.gz ZNRKYJVRDZCLIZ-UHFFFAOYSA-N 1 2 337.427 2.052 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc3c(c2)ncn3C)n1 ZINC000491810212 533219560 /nfs/dbraw/zinc/21/95/60/533219560.db2.gz ZNRKYJVRDZCLIZ-UHFFFAOYSA-N 1 2 337.427 2.052 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cc1F ZINC000267410687 256056771 /nfs/dbraw/zinc/05/67/71/256056771.db2.gz RSDBGELISGJVDU-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO N#Cc1c(Cl)cccc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000273109942 256266577 /nfs/dbraw/zinc/26/65/77/256266577.db2.gz GFIVKEUEAQNCAL-UHFFFAOYSA-N 1 2 346.862 2.346 20 30 EEEDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)NCc2ccc(C#N)cc2)o1 ZINC000273485980 256300935 /nfs/dbraw/zinc/30/09/35/256300935.db2.gz JKMNEOZOCBHPHP-KRWDZBQOSA-N 1 2 341.411 2.307 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3nc(C)cc(C)n3)CC2)cc1C#N ZINC000129848555 533562530 /nfs/dbraw/zinc/56/25/30/533562530.db2.gz KBMXXPMZXRHUHN-UHFFFAOYSA-N 1 2 337.427 2.296 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn3c2OCCC3)[C@H]1CC ZINC001087641318 781995984 /nfs/dbraw/zinc/99/59/84/781995984.db2.gz BMSPHXOVPVNUDM-UONOGXRCSA-N 1 2 338.839 2.001 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn3c2OCCC3)[C@H]1CC ZINC001087641318 781995994 /nfs/dbraw/zinc/99/59/94/781995994.db2.gz BMSPHXOVPVNUDM-UONOGXRCSA-N 1 2 338.839 2.001 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000377346101 154152226 /nfs/dbraw/zinc/15/22/26/154152226.db2.gz OIMLWGGACPKVHA-JKSUJKDBSA-N 1 2 344.411 2.016 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000377346101 154152231 /nfs/dbraw/zinc/15/22/31/154152231.db2.gz OIMLWGGACPKVHA-JKSUJKDBSA-N 1 2 344.411 2.016 20 30 EEEDLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccccc2C#N)cc1 ZINC000076047491 159078792 /nfs/dbraw/zinc/07/87/92/159078792.db2.gz FTRCERHLMYDRGL-UHFFFAOYSA-N 1 2 343.452 2.277 20 30 EEEDLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2ccccc2C#N)cc1 ZINC000076047491 159078794 /nfs/dbraw/zinc/07/87/94/159078794.db2.gz FTRCERHLMYDRGL-UHFFFAOYSA-N 1 2 343.452 2.277 20 30 EEEDLO C[C@H]1C[NH+](CCN(C)C(=O)c2c(F)cc(C#N)cc2F)C[C@H](C)O1 ZINC000345407730 161299614 /nfs/dbraw/zinc/29/96/14/161299614.db2.gz RLSQCJIJIHNWEA-RYUDHWBXSA-N 1 2 337.370 2.018 20 30 EEEDLO COCc1cc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)ccc1F ZINC000360061758 164225587 /nfs/dbraw/zinc/22/55/87/164225587.db2.gz SYQWAVCINASGCX-QGZVFWFLSA-N 1 2 327.359 2.160 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1C#N ZINC000534471160 270022930 /nfs/dbraw/zinc/02/29/30/270022930.db2.gz XACZXINLSZINRF-KBPBESRZSA-N 1 2 342.317 2.232 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1C#N ZINC000534471160 270022931 /nfs/dbraw/zinc/02/29/31/270022931.db2.gz XACZXINLSZINRF-KBPBESRZSA-N 1 2 342.317 2.232 20 30 EEEDLO Cc1c(C#N)cccc1NC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000333135943 267285628 /nfs/dbraw/zinc/28/56/28/267285628.db2.gz JLQWSFXOKSMINK-KRWDZBQOSA-N 1 2 342.443 2.441 20 30 EEEDLO Cc1c(C#N)cccc1NC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000333135943 267285630 /nfs/dbraw/zinc/28/56/30/267285630.db2.gz JLQWSFXOKSMINK-KRWDZBQOSA-N 1 2 342.443 2.441 20 30 EEEDLO Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000277506602 267355360 /nfs/dbraw/zinc/35/53/60/267355360.db2.gz BEGUUMIQHMTIKE-SUMWQHHRSA-N 1 2 344.440 2.335 20 30 EEEDLO N#Cc1ccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000420817091 268230517 /nfs/dbraw/zinc/23/05/17/268230517.db2.gz LILVFNPKRRCLAH-LBPRGKRZSA-N 1 2 327.413 2.093 20 30 EEEDLO N#Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c(Cl)c1 ZINC000433251377 268245521 /nfs/dbraw/zinc/24/55/21/268245521.db2.gz DMPWJNLAWRMEPO-CYBMUJFWSA-N 1 2 334.807 2.196 20 30 EEEDLO N#Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c(Cl)c1 ZINC000433251377 268245525 /nfs/dbraw/zinc/24/55/25/268245525.db2.gz DMPWJNLAWRMEPO-CYBMUJFWSA-N 1 2 334.807 2.196 20 30 EEEDLO C[N@@H+]1CCO[C@H](CNc2nc3c(c(C#N)c2C#N)CCCCCC3)C1 ZINC000280722057 269386949 /nfs/dbraw/zinc/38/69/49/269386949.db2.gz MILAGBRQJVJBKG-CQSZACIVSA-N 1 2 339.443 2.226 20 30 EEEDLO C[N@H+]1CCO[C@H](CNc2nc3c(c(C#N)c2C#N)CCCCCC3)C1 ZINC000280722057 269386951 /nfs/dbraw/zinc/38/69/51/269386951.db2.gz MILAGBRQJVJBKG-CQSZACIVSA-N 1 2 339.443 2.226 20 30 EEEDLO C#C[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000491655663 276797444 /nfs/dbraw/zinc/79/74/44/276797444.db2.gz CDUIGTIDGZNJAB-VBQJREDUSA-N 1 2 349.862 2.423 20 30 EEEDLO C[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000170919114 278327732 /nfs/dbraw/zinc/32/77/32/278327732.db2.gz NOHSYQJCBNQHOD-KGLIPLIRSA-N 1 2 347.463 2.345 20 30 EEEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)CNc1cccc(C#N)c1)C2 ZINC000160401731 311353844 /nfs/dbraw/zinc/35/38/44/311353844.db2.gz ZXHGINQDELFADI-UHFFFAOYSA-N 1 2 337.427 2.412 20 30 EEEDLO CCn1cc(C[N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000539806840 318063291 /nfs/dbraw/zinc/06/32/91/318063291.db2.gz FGTPGIACXSJDFU-SFHVURJKSA-N 1 2 337.427 2.402 20 30 EEEDLO CCn1cc(C[N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000539806840 318063293 /nfs/dbraw/zinc/06/32/93/318063293.db2.gz FGTPGIACXSJDFU-SFHVURJKSA-N 1 2 337.427 2.402 20 30 EEEDLO COC(=O)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000560713606 318809635 /nfs/dbraw/zinc/80/96/35/318809635.db2.gz UZMJGRPILXIAFB-OAHLLOKOSA-N 1 2 337.807 2.327 20 30 EEEDLO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)c2[nH+]ccn21 ZINC000575323634 320101019 /nfs/dbraw/zinc/10/10/19/320101019.db2.gz NBJQSNZIYAXLCA-CABZTGNLSA-N 1 2 336.804 2.392 20 30 EEEDLO CCN1CC[NH+]([C@H](C)CNc2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000619694573 450309065 /nfs/dbraw/zinc/30/90/65/450309065.db2.gz BDIPNRYUFMSLAO-GFCCVEGCSA-N 1 2 341.381 2.410 20 30 EEEDLO C=CC1CC[NH+](Cc2nnc3n2c2ccccc2c(=O)n3CC)CC1 ZINC000111258707 463673067 /nfs/dbraw/zinc/67/30/67/463673067.db2.gz JDNKUJHNBDQDSZ-UHFFFAOYSA-N 1 2 337.427 2.462 20 30 EEEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000280429741 464205110 /nfs/dbraw/zinc/20/51/10/464205110.db2.gz BUEIBWFIRMULBK-CQSZACIVSA-N 1 2 326.400 2.457 20 30 EEEDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000280429741 464205115 /nfs/dbraw/zinc/20/51/15/464205115.db2.gz BUEIBWFIRMULBK-CQSZACIVSA-N 1 2 326.400 2.457 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)NCC3(C#N)CCC3)CC2)cs1 ZINC000333880865 465034436 /nfs/dbraw/zinc/03/44/36/465034436.db2.gz DLDPHBVDWRNUFK-UHFFFAOYSA-N 1 2 347.488 2.363 20 30 EEEDLO Cc1nc(C[N@H+]2CCCN(C(=O)NCC3(C#N)CCC3)CC2)cs1 ZINC000333880865 465034443 /nfs/dbraw/zinc/03/44/43/465034443.db2.gz DLDPHBVDWRNUFK-UHFFFAOYSA-N 1 2 347.488 2.363 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)NCC1(C#N)CCC1)C2 ZINC000333926073 465035672 /nfs/dbraw/zinc/03/56/72/465035672.db2.gz VDCYVJDHGGSZIS-ZDUSSCGKSA-N 1 2 329.448 2.488 20 30 EEEDLO N#Cc1cc(F)ccc1CS(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000296158564 465098627 /nfs/dbraw/zinc/09/86/27/465098627.db2.gz HFYVABIQKRMGPL-OAHLLOKOSA-N 1 2 348.403 2.477 20 30 EEEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CC[C@H](C2CCOCC2)C1 ZINC000328852467 465148066 /nfs/dbraw/zinc/14/80/66/465148066.db2.gz SHSILSHKWYELSD-INIZCTEOSA-N 1 2 346.475 2.424 20 30 EEEDLO CCC[C@@H]1CN(C(=O)N[C@H]2CCCc3cn[nH]c32)CC[N@@H+]1CCOC ZINC000329088240 465229404 /nfs/dbraw/zinc/22/94/04/465229404.db2.gz VMIIXYWYGRVSJC-CVEARBPZSA-N 1 2 349.479 2.134 20 30 EEEDLO CCC[C@@H]1CN(C(=O)N[C@H]2CCCc3cn[nH]c32)CC[N@H+]1CCOC ZINC000329088240 465229410 /nfs/dbraw/zinc/22/94/10/465229410.db2.gz VMIIXYWYGRVSJC-CVEARBPZSA-N 1 2 349.479 2.134 20 30 EEEDLO Cn1c2ccc(CNC(=O)[C@H]3CCS(=O)(=O)C3)cc2[nH+]c1C1CC1 ZINC000329101409 465233675 /nfs/dbraw/zinc/23/36/75/465233675.db2.gz ZRNBKQPBHYRFHB-ZDUSSCGKSA-N 1 2 347.440 2.342 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccccc2CC)C1=O ZINC000337198390 465239002 /nfs/dbraw/zinc/23/90/02/465239002.db2.gz AALQWADCCCFSLO-RHSMWYFYSA-N 1 2 329.444 2.295 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccccc2CC)C1=O ZINC000337198390 465239006 /nfs/dbraw/zinc/23/90/06/465239006.db2.gz AALQWADCCCFSLO-RHSMWYFYSA-N 1 2 329.444 2.295 20 30 EEEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000329240974 465277359 /nfs/dbraw/zinc/27/73/59/465277359.db2.gz NCSWECIRZZAAGM-RKVPGOIHSA-N 1 2 333.432 2.496 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000337277859 465281747 /nfs/dbraw/zinc/28/17/47/465281747.db2.gz RZUDBXHYQJULSW-CQSZACIVSA-N 1 2 326.799 2.303 20 30 EEEDLO COCC1(C#N)CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000341992887 465282626 /nfs/dbraw/zinc/28/26/26/465282626.db2.gz QQBXIEHLOFFQGM-UHFFFAOYSA-N 1 2 347.371 2.213 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000341990332 465283148 /nfs/dbraw/zinc/28/31/48/465283148.db2.gz MMUWAHVBHNZKAY-UHFFFAOYSA-N 1 2 349.862 2.251 20 30 EEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000356046255 465289618 /nfs/dbraw/zinc/28/96/18/465289618.db2.gz MYGZODSGBQSTBQ-BHIYHBOVSA-N 1 2 341.455 2.396 20 30 EEEDLO C=CCOc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000356084696 465292080 /nfs/dbraw/zinc/29/20/80/465292080.db2.gz RDOUJNRMWNKRTE-NVXWUHKLSA-N 1 2 330.428 2.187 20 30 EEEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)CC1 ZINC000356117410 465295357 /nfs/dbraw/zinc/29/53/57/465295357.db2.gz NIEYOKPLGHPCCP-UHFFFAOYSA-N 1 2 330.476 2.428 20 30 EEEDLO CC1(C)C[N@H+](CCNC(=O)Nc2cnc3c(c2)CCCC3)CCO1 ZINC000329333928 465302815 /nfs/dbraw/zinc/30/28/15/465302815.db2.gz NTMUHXMAQULPLF-UHFFFAOYSA-N 1 2 332.448 2.397 20 30 EEEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2cnc3c(c2)CCCC3)CCO1 ZINC000329333928 465302822 /nfs/dbraw/zinc/30/28/22/465302822.db2.gz NTMUHXMAQULPLF-UHFFFAOYSA-N 1 2 332.448 2.397 20 30 EEEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCn2cc[nH+]c2C1 ZINC000329358755 465310670 /nfs/dbraw/zinc/31/06/70/465310670.db2.gz XHBCILLUOMZZSR-GFCCVEGCSA-N 1 2 328.372 2.147 20 30 EEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NCCCCn1cc[nH+]c1 ZINC000060407971 462548379 /nfs/dbraw/zinc/54/83/79/462548379.db2.gz HYIVUQLQXAKHRQ-UHFFFAOYSA-N 1 2 342.447 2.139 20 30 EEEDLO N#C[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CCN1Cc1ccccc1 ZINC000074673941 462623667 /nfs/dbraw/zinc/62/36/67/462623667.db2.gz KYVRDQNOVLMOOL-SFHVURJKSA-N 1 2 345.406 2.184 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3ncccc3F)CC2)cc1C#N ZINC000090630822 462804003 /nfs/dbraw/zinc/80/40/03/462804003.db2.gz QNDQQFIFDGOQPY-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO N#CCc1ccc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000076085064 462804366 /nfs/dbraw/zinc/80/43/66/462804366.db2.gz FAOYIJUFZLZFBO-UHFFFAOYSA-N 1 2 335.411 2.497 20 30 EEEDLO C[C@@H](CC#N)N(C)C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117789336 462813145 /nfs/dbraw/zinc/81/31/45/462813145.db2.gz PBTVBZVLLPVRDU-GJZGRUSLSA-N 1 2 332.423 2.097 20 30 EEEDLO N#Cc1cccc(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000076657894 462891650 /nfs/dbraw/zinc/89/16/50/462891650.db2.gz PXMFQPUDYCYUEN-UHFFFAOYSA-N 1 2 335.407 2.320 20 30 EEEDLO C#CC[N@@H+](CCCOc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066539245 462902049 /nfs/dbraw/zinc/90/20/49/462902049.db2.gz KDWUGHVURPSHNO-HNNXBMFYSA-N 1 2 341.860 2.231 20 30 EEEDLO C#CC[N@H+](CCCOc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000066539245 462902051 /nfs/dbraw/zinc/90/20/51/462902051.db2.gz KDWUGHVURPSHNO-HNNXBMFYSA-N 1 2 341.860 2.231 20 30 EEEDLO C#CC[N@@H+](Cc1ccc2cc(OC)ccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092193175 462932729 /nfs/dbraw/zinc/93/27/29/462932729.db2.gz RBJYHJBNIQYOHK-GOSISDBHSA-N 1 2 343.448 2.471 20 30 EEEDLO C#CC[N@H+](Cc1ccc2cc(OC)ccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092193175 462932731 /nfs/dbraw/zinc/93/27/31/462932731.db2.gz RBJYHJBNIQYOHK-GOSISDBHSA-N 1 2 343.448 2.471 20 30 EEEDLO Cc1noc(C)c1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000017843534 463002611 /nfs/dbraw/zinc/00/26/11/463002611.db2.gz ZUAUIICIJQIJCN-UHFFFAOYSA-N 1 2 338.411 2.050 20 30 EEEDLO CSCCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000077668920 463019962 /nfs/dbraw/zinc/01/99/62/463019962.db2.gz XYTMRNGLPLEVRD-UHFFFAOYSA-N 1 2 332.473 2.139 20 30 EEEDLO CC(C)C[C@@H](CNc1ncc([N+](=O)[O-])cc1C#N)[NH+]1CCOCC1 ZINC000068127394 463096154 /nfs/dbraw/zinc/09/61/54/463096154.db2.gz STOOHDKTZXDSAH-AWEZNQCLSA-N 1 2 333.392 2.020 20 30 EEEDLO COc1cc(C#N)ccc1CN1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000121337945 463118915 /nfs/dbraw/zinc/11/89/15/463118915.db2.gz HYUWYTPLJJHRIZ-UHFFFAOYSA-N 1 2 340.427 2.490 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC=C(c2ccc(O)cc2)CC1)C1CC1 ZINC000053815125 463191362 /nfs/dbraw/zinc/19/13/62/463191362.db2.gz POBKFEGNXCVYQF-LJQANCHMSA-N 1 2 325.412 2.290 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC=C(c2ccc(O)cc2)CC1)C1CC1 ZINC000053815125 463191363 /nfs/dbraw/zinc/19/13/63/463191363.db2.gz POBKFEGNXCVYQF-LJQANCHMSA-N 1 2 325.412 2.290 20 30 EEEDLO O=C(C#Cc1ccc2c(c1)OCO2)NCc1ccccc1-n1cc[nH+]c1 ZINC000136205401 463227720 /nfs/dbraw/zinc/22/77/20/463227720.db2.gz GWTZAQTZCUKPLX-UHFFFAOYSA-N 1 2 345.358 2.269 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc(F)c1Cl ZINC000079844520 463253417 /nfs/dbraw/zinc/25/34/17/463253417.db2.gz AQLLUHQVAUDXRX-UHFFFAOYSA-N 1 2 339.798 2.167 20 30 EEEDLO CCCc1nc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000054983368 463273686 /nfs/dbraw/zinc/27/36/86/463273686.db2.gz CUUPZBBCXMXFLI-UHFFFAOYSA-N 1 2 325.416 2.212 20 30 EEEDLO CC1CCN(C(=O)C[NH+]2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000029856396 463276776 /nfs/dbraw/zinc/27/67/76/463276776.db2.gz MCYGZJXSVCTGNK-UHFFFAOYSA-N 1 2 344.434 2.078 20 30 EEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CNc2cccc(C#N)c2)CC1 ZINC000160870657 463378397 /nfs/dbraw/zinc/37/83/97/463378397.db2.gz WZOGDAXICPNPTI-INIZCTEOSA-N 1 2 349.438 2.271 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1nc2ccccc2n1C ZINC000083243086 463542727 /nfs/dbraw/zinc/54/27/27/463542727.db2.gz UQGCJBXCRWTJSP-LIRRHRJNSA-N 1 2 341.459 2.448 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1nc2ccccc2n1C ZINC000083243086 463542733 /nfs/dbraw/zinc/54/27/33/463542733.db2.gz UQGCJBXCRWTJSP-LIRRHRJNSA-N 1 2 341.459 2.448 20 30 EEEDLO C[N@@H+]1CCc2nc(NC(=O)Cc3ccc(OCC#N)cc3)sc2C1 ZINC000110641565 463660774 /nfs/dbraw/zinc/66/07/74/463660774.db2.gz KGKQVICVMPYZSW-UHFFFAOYSA-N 1 2 342.424 2.215 20 30 EEEDLO C[N@H+]1CCc2nc(NC(=O)Cc3ccc(OCC#N)cc3)sc2C1 ZINC000110641565 463660776 /nfs/dbraw/zinc/66/07/76/463660776.db2.gz KGKQVICVMPYZSW-UHFFFAOYSA-N 1 2 342.424 2.215 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000255674011 463742477 /nfs/dbraw/zinc/74/24/77/463742477.db2.gz SXKLUTDZPZXNSW-AEFFLSMTSA-N 1 2 333.432 2.315 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000255674011 463742480 /nfs/dbraw/zinc/74/24/80/463742480.db2.gz SXKLUTDZPZXNSW-AEFFLSMTSA-N 1 2 333.432 2.315 20 30 EEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000286998731 463767369 /nfs/dbraw/zinc/76/73/69/463767369.db2.gz MRRAPWGWYDHQEC-SWLSCSKDSA-N 1 2 332.379 2.024 20 30 EEEDLO C=CCn1c(-c2sc(NC(=O)C[NH+](C)C)nc2C)n[nH]c1=S ZINC000171182361 463805564 /nfs/dbraw/zinc/80/55/64/463805564.db2.gz MMHJDKZHVMOGTE-UHFFFAOYSA-N 1 2 338.462 2.059 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1C(=O)OC ZINC000185368256 463810649 /nfs/dbraw/zinc/81/06/49/463810649.db2.gz YTQONSQXBMYWQK-IRXDYDNUSA-N 1 2 333.428 2.182 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1C(=O)OC ZINC000185368256 463810655 /nfs/dbraw/zinc/81/06/55/463810655.db2.gz YTQONSQXBMYWQK-IRXDYDNUSA-N 1 2 333.428 2.182 20 30 EEEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000268937765 463816296 /nfs/dbraw/zinc/81/62/96/463816296.db2.gz CUXOAJCCUCVJPP-UBBCYZOGSA-N 1 2 333.388 2.097 20 30 EEEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000178140559 463850703 /nfs/dbraw/zinc/85/07/03/463850703.db2.gz QAEFFPKHMDPQNF-IOASZLSFSA-N 1 2 333.432 2.416 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185632291 463852757 /nfs/dbraw/zinc/85/27/57/463852757.db2.gz CKZSITBXJGLFHC-INIZCTEOSA-N 1 2 335.835 2.475 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185632291 463852762 /nfs/dbraw/zinc/85/27/62/463852762.db2.gz CKZSITBXJGLFHC-INIZCTEOSA-N 1 2 335.835 2.475 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCc2nnc3n2CCCCC3)cc1 ZINC000278784947 463986335 /nfs/dbraw/zinc/98/63/35/463986335.db2.gz ZQJUEUBJBFQCFD-UHFFFAOYSA-N 1 2 329.404 2.045 20 30 EEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178859079 463995000 /nfs/dbraw/zinc/99/50/00/463995000.db2.gz VCGMYPJEGGMWRO-UHFFFAOYSA-N 1 2 346.799 2.338 20 30 EEEDLO C#Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000289504710 464082155 /nfs/dbraw/zinc/08/21/55/464082155.db2.gz CQNLRGTXHNXHKP-KRWDZBQOSA-N 1 2 330.428 2.393 20 30 EEEDLO C#Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000289504710 464082162 /nfs/dbraw/zinc/08/21/62/464082162.db2.gz CQNLRGTXHNXHKP-KRWDZBQOSA-N 1 2 330.428 2.393 20 30 EEEDLO CC(C)(C)[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000279734302 464137238 /nfs/dbraw/zinc/13/72/38/464137238.db2.gz JXVAPNYJCSSERM-SJORKVTESA-N 1 2 327.428 2.410 20 30 EEEDLO CC(C)(C)[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000279734302 464137243 /nfs/dbraw/zinc/13/72/43/464137243.db2.gz JXVAPNYJCSSERM-SJORKVTESA-N 1 2 327.428 2.410 20 30 EEEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000292233663 464169771 /nfs/dbraw/zinc/16/97/71/464169771.db2.gz PRZPJUMEQQYZDS-UHFFFAOYSA-N 1 2 332.360 2.334 20 30 EEEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000292233663 464169775 /nfs/dbraw/zinc/16/97/75/464169775.db2.gz PRZPJUMEQQYZDS-UHFFFAOYSA-N 1 2 332.360 2.334 20 30 EEEDLO NC(=[NH+]OCC(=O)Nc1ccc(N2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000284451066 464197025 /nfs/dbraw/zinc/19/70/25/464197025.db2.gz PYVVOJGAWKJKFC-INIZCTEOSA-N 1 2 346.431 2.083 20 30 EEEDLO CN(Cc1cccc(C#N)c1)c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000264321945 464294662 /nfs/dbraw/zinc/29/46/62/464294662.db2.gz KJKXDSMSFLFFAP-QGZVFWFLSA-N 1 2 337.427 2.193 20 30 EEEDLO CN(Cc1cccc(C#N)c1)c1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000264321945 464294665 /nfs/dbraw/zinc/29/46/65/464294665.db2.gz KJKXDSMSFLFFAP-QGZVFWFLSA-N 1 2 337.427 2.193 20 30 EEEDLO CCN1CCN([C@H](C)C(=O)Nc2nccs2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329895806 465465916 /nfs/dbraw/zinc/46/59/16/465465916.db2.gz CCYPTSJNEJYDFU-VXGBXAGGSA-N 1 2 334.449 2.222 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2)C1=O ZINC000281265973 464392694 /nfs/dbraw/zinc/39/26/94/464392694.db2.gz HSPQQNBWLDOPTF-DOMZBBRYSA-N 1 2 335.835 2.386 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2)C1=O ZINC000281265973 464392702 /nfs/dbraw/zinc/39/27/02/464392702.db2.gz HSPQQNBWLDOPTF-DOMZBBRYSA-N 1 2 335.835 2.386 20 30 EEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181261514 464464220 /nfs/dbraw/zinc/46/42/20/464464220.db2.gz MYPQLMMATZDEMW-ICRTXTNUSA-N 1 2 349.397 2.161 20 30 EEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181261514 464464225 /nfs/dbraw/zinc/46/42/25/464464225.db2.gz MYPQLMMATZDEMW-ICRTXTNUSA-N 1 2 349.397 2.161 20 30 EEEDLO C#CC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000285493139 464584189 /nfs/dbraw/zinc/58/41/89/464584189.db2.gz CLHCDINRSQHVRU-LJQANCHMSA-N 1 2 343.448 2.259 20 30 EEEDLO C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000285493139 464584192 /nfs/dbraw/zinc/58/41/92/464584192.db2.gz CLHCDINRSQHVRU-LJQANCHMSA-N 1 2 343.448 2.259 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000182306990 464624893 /nfs/dbraw/zinc/62/48/93/464624893.db2.gz PGCAPTIGYHBBBJ-GOSISDBHSA-N 1 2 347.484 2.385 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000182306990 464624901 /nfs/dbraw/zinc/62/49/01/464624901.db2.gz PGCAPTIGYHBBBJ-GOSISDBHSA-N 1 2 347.484 2.385 20 30 EEEDLO O=C(NCC#Cc1ccccc1)c1ccccc1C[NH+]1CCOCC1 ZINC000265797186 464690328 /nfs/dbraw/zinc/69/03/28/464690328.db2.gz JQXMZPUBBNTPCK-UHFFFAOYSA-N 1 2 334.419 2.300 20 30 EEEDLO C[C@H](C#N)CNC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000176079410 464694583 /nfs/dbraw/zinc/69/45/83/464694583.db2.gz GPRSHKINTSGUSI-CYBMUJFWSA-N 1 2 338.411 2.433 20 30 EEEDLO CN(C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1)S(C)(=O)=O ZINC000274765544 464754414 /nfs/dbraw/zinc/75/44/14/464754414.db2.gz FXMQCQRSGSRVRU-UHFFFAOYSA-N 1 2 341.864 2.067 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2Cc2ccc(C#N)cc2F)O1 ZINC000282365974 464789731 /nfs/dbraw/zinc/78/97/31/464789731.db2.gz DQPBHIKYNWYVJY-JKEMJCCQSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2Cc2ccc(C#N)cc2F)O1 ZINC000282365974 464789735 /nfs/dbraw/zinc/78/97/35/464789735.db2.gz DQPBHIKYNWYVJY-JKEMJCCQSA-N 1 2 332.375 2.381 20 30 EEEDLO COc1ccc(F)cc1C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000176749089 464839404 /nfs/dbraw/zinc/83/94/04/464839404.db2.gz COHJDRYPMJXVSD-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)CCO1 ZINC000329991258 465499935 /nfs/dbraw/zinc/49/99/35/465499935.db2.gz WUYZBCAOQPSFAQ-OEAJRASXSA-N 1 2 338.427 2.104 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)CCO1 ZINC000329991258 465499940 /nfs/dbraw/zinc/49/99/40/465499940.db2.gz WUYZBCAOQPSFAQ-OEAJRASXSA-N 1 2 338.427 2.104 20 30 EEEDLO C[C@H](C(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C)[NH+]1CCSCC1 ZINC000329381120 465317169 /nfs/dbraw/zinc/31/71/69/465317169.db2.gz NPGYGNFOKACCHB-VXGBXAGGSA-N 1 2 345.534 2.080 20 30 EEEDLO CCCc1nc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)co1 ZINC000329443821 465334930 /nfs/dbraw/zinc/33/49/30/465334930.db2.gz CAMSMWYPWHUEPY-MRXNPFEDSA-N 1 2 339.461 2.140 20 30 EEEDLO C[C@H](C#N)CN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000339579258 465361407 /nfs/dbraw/zinc/36/14/07/465361407.db2.gz BERQEMWTILJHGH-DOMZBBRYSA-N 1 2 329.379 2.450 20 30 EEEDLO CC#CC[N@H+](CCNC(C)=O)Cc1ccc(Br)s1 ZINC000337469549 465387293 /nfs/dbraw/zinc/38/72/93/465387293.db2.gz VJRAGFYWMRQUGT-UHFFFAOYSA-N 1 2 329.263 2.472 20 30 EEEDLO CC#CC[N@@H+](CCNC(C)=O)Cc1ccc(Br)s1 ZINC000337469549 465387298 /nfs/dbraw/zinc/38/72/98/465387298.db2.gz VJRAGFYWMRQUGT-UHFFFAOYSA-N 1 2 329.263 2.472 20 30 EEEDLO C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000359219544 465387391 /nfs/dbraw/zinc/38/73/91/465387391.db2.gz FRRFJFVUEBSIDA-KCPJHIHWSA-N 1 2 341.814 2.070 20 30 EEEDLO C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000359219544 465387394 /nfs/dbraw/zinc/38/73/94/465387394.db2.gz FRRFJFVUEBSIDA-KCPJHIHWSA-N 1 2 341.814 2.070 20 30 EEEDLO C[C@@H]1C[C@@H](CCNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CCO1 ZINC000329751407 465423586 /nfs/dbraw/zinc/42/35/86/465423586.db2.gz IWLLVKAWIJOYFY-KGLIPLIRSA-N 1 2 340.468 2.037 20 30 EEEDLO Cc1noc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)n1 ZINC000348106231 465426026 /nfs/dbraw/zinc/42/60/26/465426026.db2.gz GKJIYUZZVRGBSO-CHWSQXEVSA-N 1 2 327.388 2.364 20 30 EEEDLO N#Cc1cccc(NC(=O)C[NH2+][C@H](CO)c2c(F)cccc2F)c1 ZINC000359518892 465426680 /nfs/dbraw/zinc/42/66/80/465426680.db2.gz CMUGQLXCPWQMBZ-OAHLLOKOSA-N 1 2 331.322 2.098 20 30 EEEDLO Cc1c(C(=O)NCC[N@@H+]2CCOCC2(C)C)nnn1CC1CCCC1 ZINC000329884349 465462546 /nfs/dbraw/zinc/46/25/46/465462546.db2.gz SJBUXQVQWUXMSB-UHFFFAOYSA-N 1 2 349.479 2.192 20 30 EEEDLO Cc1c(C(=O)NCC[N@H+]2CCOCC2(C)C)nnn1CC1CCCC1 ZINC000329884349 465462550 /nfs/dbraw/zinc/46/25/50/465462550.db2.gz SJBUXQVQWUXMSB-UHFFFAOYSA-N 1 2 349.479 2.192 20 30 EEEDLO Cn1cc[nH+]c1CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000348218504 465495465 /nfs/dbraw/zinc/49/54/65/465495465.db2.gz KXWPNLQJAGXEKL-UHFFFAOYSA-N 1 2 336.317 2.290 20 30 EEEDLO N#CC1(F)CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000352462966 465531659 /nfs/dbraw/zinc/53/16/59/465531659.db2.gz HAXVPRNURZCGSS-AWEZNQCLSA-N 1 2 332.335 2.028 20 30 EEEDLO C[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1nnc2n1CCCC2 ZINC000330152830 465551213 /nfs/dbraw/zinc/55/12/13/465551213.db2.gz WXMZIMVCHXPAGX-QWHCGFSZSA-N 1 2 343.435 2.192 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCO[C@@H](c2ccccc2)C1 ZINC000330169831 465557309 /nfs/dbraw/zinc/55/73/09/465557309.db2.gz BOQDVCGJKWWMKF-HZPDHXFCSA-N 1 2 326.400 2.185 20 30 EEEDLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@H]21)Nc1ccc2c(c1)OCO2 ZINC000330180392 465558990 /nfs/dbraw/zinc/55/89/90/465558990.db2.gz NJIWYXCMGMLTHO-DOMZBBRYSA-N 1 2 336.413 2.210 20 30 EEEDLO O=C(C[N@H+]1CCS[C@H]2COCC[C@H]21)Nc1ccc2c(c1)OCO2 ZINC000330180392 465558993 /nfs/dbraw/zinc/55/89/93/465558993.db2.gz NJIWYXCMGMLTHO-DOMZBBRYSA-N 1 2 336.413 2.210 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)NC(=O)NCCCC)Cc1cnn(C(C)C)c1 ZINC000352946611 465572845 /nfs/dbraw/zinc/57/28/45/465572845.db2.gz JQXJWADANBMJGJ-UHFFFAOYSA-N 1 2 349.479 2.468 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)NC(=O)NCCCC)Cc1cnn(C(C)C)c1 ZINC000352946611 465572852 /nfs/dbraw/zinc/57/28/52/465572852.db2.gz JQXJWADANBMJGJ-UHFFFAOYSA-N 1 2 349.479 2.468 20 30 EEEDLO C[C@@H]1CC[S@](=O)CCN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000330247636 465584756 /nfs/dbraw/zinc/58/47/56/465584756.db2.gz LVODHXBVIXWOCP-OZAJXLCCSA-N 1 2 346.456 2.476 20 30 EEEDLO Cc1nc(SCC(=O)NCc2c[nH+]cn2C)c(C#N)c(C)c1C ZINC000362343418 465666156 /nfs/dbraw/zinc/66/61/56/465666156.db2.gz SEQKFMGNXHOSCK-UHFFFAOYSA-N 1 2 329.429 2.021 20 30 EEEDLO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)no1 ZINC000330499371 465683551 /nfs/dbraw/zinc/68/35/51/465683551.db2.gz HXNRCQLUPWFQGF-UONOGXRCSA-N 1 2 333.436 2.133 20 30 EEEDLO CC(C)c1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)no1 ZINC000330499371 465683555 /nfs/dbraw/zinc/68/35/55/465683555.db2.gz HXNRCQLUPWFQGF-UONOGXRCSA-N 1 2 333.436 2.133 20 30 EEEDLO C#CC[NH+]1CCN(c2ncnc3ccc(Br)cc32)CC1 ZINC000301094837 465899546 /nfs/dbraw/zinc/89/95/46/465899546.db2.gz MCGAACZBKIFWMZ-UHFFFAOYSA-N 1 2 331.217 2.148 20 30 EEEDLO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[N@@H+](C)C[C@H](C)C#N ZINC000353463344 465902290 /nfs/dbraw/zinc/90/22/90/465902290.db2.gz QHOZXQHXCQNGQW-HZSPNIEDSA-N 1 2 331.416 2.115 20 30 EEEDLO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[N@H+](C)C[C@H](C)C#N ZINC000353463344 465902291 /nfs/dbraw/zinc/90/22/91/465902291.db2.gz QHOZXQHXCQNGQW-HZSPNIEDSA-N 1 2 331.416 2.115 20 30 EEEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000301267554 465933526 /nfs/dbraw/zinc/93/35/26/465933526.db2.gz PWVVRHSNVAEUOW-UHFFFAOYSA-N 1 2 341.864 2.133 20 30 EEEDLO CC(C)(CNC(=O)C[C@H](CC#N)c1ccccc1)[NH+]1CCOCC1 ZINC000353511854 465943971 /nfs/dbraw/zinc/94/39/71/465943971.db2.gz DTZDBUJBGMHHKY-KRWDZBQOSA-N 1 2 329.444 2.301 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCCc1cccc(C#N)c1)CCC2 ZINC000366828150 465958004 /nfs/dbraw/zinc/95/80/04/465958004.db2.gz XKYQYWOZHOVRQT-KRWDZBQOSA-N 1 2 337.427 2.483 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000346356889 466088676 /nfs/dbraw/zinc/08/86/76/466088676.db2.gz MGGOEWUGHJAYOC-YLJYHZDGSA-N 1 2 346.471 2.063 20 30 EEEDLO COc1ccc(C[NH2+]Cc2nnc3n2CCC3)cc1OCCCC#N ZINC000340459275 466104718 /nfs/dbraw/zinc/10/47/18/466104718.db2.gz KIWJTMDGFHETLA-UHFFFAOYSA-N 1 2 341.415 2.205 20 30 EEEDLO N#CCC1(CS(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)CC1 ZINC000580695958 468481067 /nfs/dbraw/zinc/48/10/67/468481067.db2.gz HGKGCRPHFVJNFP-UHFFFAOYSA-N 1 2 330.413 2.190 20 30 EEEDLO C=CCN(CCOC)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000581166427 468488477 /nfs/dbraw/zinc/48/84/77/468488477.db2.gz MIZHKWGJFGHHIG-INIZCTEOSA-N 1 2 328.416 2.354 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cncs3)CC2)cc1 ZINC000591591556 468487496 /nfs/dbraw/zinc/48/74/96/468487496.db2.gz VWIZPAPRDBWNPE-UHFFFAOYSA-N 1 2 326.425 2.363 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cncs3)CC2)cc1 ZINC000591591556 468487499 /nfs/dbraw/zinc/48/74/99/468487499.db2.gz VWIZPAPRDBWNPE-UHFFFAOYSA-N 1 2 326.425 2.363 20 30 EEEDLO COc1cc(C[NH+]2CCN(c3ccc(F)cn3)CC2)ccc1C#N ZINC000367724452 466518499 /nfs/dbraw/zinc/51/84/99/466518499.db2.gz WYLDQHRTIMUYSD-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO COc1cc(OC)cc(C(=O)N2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000332470719 466543033 /nfs/dbraw/zinc/54/30/33/466543033.db2.gz SQHALHOAPMUDFM-ZBFHGGJFSA-N 1 2 343.427 2.154 20 30 EEEDLO C=C(C)COCCNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000354410004 466546035 /nfs/dbraw/zinc/54/60/35/466546035.db2.gz MDMXKUAANXIKNM-UHFFFAOYSA-N 1 2 332.448 2.464 20 30 EEEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(C#N)s2)C1 ZINC000373824175 466932468 /nfs/dbraw/zinc/93/24/68/466932468.db2.gz PSZCZXICJZXIOW-CQSZACIVSA-N 1 2 333.438 2.085 20 30 EEEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(C#N)s2)C1 ZINC000373824175 466932470 /nfs/dbraw/zinc/93/24/70/466932470.db2.gz PSZCZXICJZXIOW-CQSZACIVSA-N 1 2 333.438 2.085 20 30 EEEDLO CO[C@@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000432057398 467211305 /nfs/dbraw/zinc/21/13/05/467211305.db2.gz MHUHPMAFLARIBT-RBUKOAKNSA-N 1 2 341.455 2.408 20 30 EEEDLO Cc1ccccc1-c1nnc(SC[C@@H](O)C[N@H+](C)CCC#N)n1C ZINC000414099938 467377062 /nfs/dbraw/zinc/37/70/62/467377062.db2.gz RCCJEOBQNYWRJT-AWEZNQCLSA-N 1 2 345.472 2.089 20 30 EEEDLO Cc1ccccc1-c1nnc(SC[C@@H](O)C[N@@H+](C)CCC#N)n1C ZINC000414099938 467377067 /nfs/dbraw/zinc/37/70/67/467377067.db2.gz RCCJEOBQNYWRJT-AWEZNQCLSA-N 1 2 345.472 2.089 20 30 EEEDLO C=CCN(C)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000444961483 467583830 /nfs/dbraw/zinc/58/38/30/467583830.db2.gz RZZDPACLKAXIQC-UHFFFAOYSA-N 1 2 330.432 2.000 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ncc(C#N)cn3)C[C@@H]2C1 ZINC000496840080 467723329 /nfs/dbraw/zinc/72/33/29/467723329.db2.gz OOHUZMUAEHGTFW-HUUCEWRRSA-N 1 2 343.431 2.037 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ncc(C#N)cn3)C[C@@H]2C1 ZINC000496840080 467723334 /nfs/dbraw/zinc/72/33/34/467723334.db2.gz OOHUZMUAEHGTFW-HUUCEWRRSA-N 1 2 343.431 2.037 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000457972309 467743492 /nfs/dbraw/zinc/74/34/92/467743492.db2.gz FSYXJDLLKFDIMN-AWEZNQCLSA-N 1 2 332.379 2.138 20 30 EEEDLO Cc1c(C#N)c(N2CCN(Cc3[nH]cc[nH+]3)CC2)nc2ccccc12 ZINC000450334310 467829367 /nfs/dbraw/zinc/82/93/67/467829367.db2.gz ZLGHGKIPMXEMFL-UHFFFAOYSA-N 1 2 332.411 2.460 20 30 EEEDLO CN(C[C@H]1CCC[N@H+](Cc2ncc(C#N)cn2)C1)C(=O)OC(C)(C)C ZINC000497171846 467869130 /nfs/dbraw/zinc/86/91/30/467869130.db2.gz WQLIHJMARHYXFL-CQSZACIVSA-N 1 2 345.447 2.427 20 30 EEEDLO CN(C[C@H]1CCC[N@@H+](Cc2ncc(C#N)cn2)C1)C(=O)OC(C)(C)C ZINC000497171846 467869134 /nfs/dbraw/zinc/86/91/34/467869134.db2.gz WQLIHJMARHYXFL-CQSZACIVSA-N 1 2 345.447 2.427 20 30 EEEDLO Cc1csc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1C#N ZINC000515667578 468000951 /nfs/dbraw/zinc/00/09/51/468000951.db2.gz NPKNIMKDVVNQKO-OLZOCXBDSA-N 1 2 334.445 2.255 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000488381639 468084848 /nfs/dbraw/zinc/08/48/48/468084848.db2.gz ARBSLPCTWKRPAR-OAHLLOKOSA-N 1 2 346.431 2.189 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000488381639 468084849 /nfs/dbraw/zinc/08/48/49/468084849.db2.gz ARBSLPCTWKRPAR-OAHLLOKOSA-N 1 2 346.431 2.189 20 30 EEEDLO CCc1ccc([C@H](C#N)NC(=O)c2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000517471834 468086324 /nfs/dbraw/zinc/08/63/24/468086324.db2.gz ODWPYWGRABHRPF-INIZCTEOSA-N 1 2 332.367 2.219 20 30 EEEDLO C=CCCCS(=O)(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000489065298 468118381 /nfs/dbraw/zinc/11/83/81/468118381.db2.gz CZSVJMJRBKONIG-HNNXBMFYSA-N 1 2 326.462 2.184 20 30 EEEDLO C=C1CC[NH+]([C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)CC1 ZINC000518679322 468122658 /nfs/dbraw/zinc/12/26/58/468122658.db2.gz VIKRZWNZYQZNHS-MRXNPFEDSA-N 1 2 329.444 2.399 20 30 EEEDLO C[C@H](CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)n1cc[nH+]c1 ZINC000565777511 468137317 /nfs/dbraw/zinc/13/73/17/468137317.db2.gz LCDXFAMWTLCHHR-AEFFLSMTSA-N 1 2 337.427 2.071 20 30 EEEDLO C=CCn1c(CC(C)C)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000548855975 468148014 /nfs/dbraw/zinc/14/80/14/468148014.db2.gz DIJDCEYYLGFRRF-UHFFFAOYSA-N 1 2 340.475 2.380 20 30 EEEDLO C[C@@H](CC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)n1cc[nH+]c1 ZINC000577114558 468178375 /nfs/dbraw/zinc/17/83/75/468178375.db2.gz KOXDUMFSWCHHEC-WMZOPIPTSA-N 1 2 337.427 2.243 20 30 EEEDLO N#CCCCC(=O)N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000589844634 468189917 /nfs/dbraw/zinc/18/99/17/468189917.db2.gz DEHFNJIPPVMVEQ-MRXNPFEDSA-N 1 2 335.835 2.211 20 30 EEEDLO CN1CC[N@H+](C)[C@H](CNc2c(C#N)cnc3c(Cl)cccc32)C1 ZINC000567750017 468202503 /nfs/dbraw/zinc/20/25/03/468202503.db2.gz DSUTZKNQTOMYLI-CYBMUJFWSA-N 1 2 329.835 2.418 20 30 EEEDLO CN1CC[N@@H+](C)[C@H](CNc2c(C#N)cnc3c(Cl)cccc32)C1 ZINC000567750017 468202506 /nfs/dbraw/zinc/20/25/06/468202506.db2.gz DSUTZKNQTOMYLI-CYBMUJFWSA-N 1 2 329.835 2.418 20 30 EEEDLO C#CCN(CC#CC)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000490691197 468235542 /nfs/dbraw/zinc/23/55/42/468235542.db2.gz VCJWLZFIQPURSX-QGZVFWFLSA-N 1 2 338.386 2.317 20 30 EEEDLO C=CC[C@@H]1N(C(=O)C(=O)NCCCCn2cc[nH+]c2)CCCC1(C)C ZINC000556643008 468539360 /nfs/dbraw/zinc/53/93/60/468539360.db2.gz YELCAXXEURTAMW-INIZCTEOSA-N 1 2 346.475 2.373 20 30 EEEDLO C=CCCCCCNC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000570225850 468606949 /nfs/dbraw/zinc/60/69/49/468606949.db2.gz DGNCRVBLVWFKKO-UHFFFAOYSA-N 1 2 340.427 2.351 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000592146300 468636607 /nfs/dbraw/zinc/63/66/07/468636607.db2.gz BHTCTQCVHKVKDT-AWEZNQCLSA-N 1 2 339.189 2.028 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000592146300 468636612 /nfs/dbraw/zinc/63/66/12/468636612.db2.gz BHTCTQCVHKVKDT-AWEZNQCLSA-N 1 2 339.189 2.028 20 30 EEEDLO N#CC[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)C1 ZINC000594659566 468646298 /nfs/dbraw/zinc/64/62/98/468646298.db2.gz FMBBDGPMALDKCJ-NHYWBVRUSA-N 1 2 333.338 2.222 20 30 EEEDLO N#CC[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)C1 ZINC000594659566 468646300 /nfs/dbraw/zinc/64/63/00/468646300.db2.gz FMBBDGPMALDKCJ-NHYWBVRUSA-N 1 2 333.338 2.222 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000583318258 468678217 /nfs/dbraw/zinc/67/82/17/468678217.db2.gz FGGJIODOGFMFLW-UHFFFAOYSA-N 1 2 337.427 2.369 20 30 EEEDLO COC(=O)[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@H]1CCC[C@@H](OC)C1 ZINC000595563912 468904151 /nfs/dbraw/zinc/90/41/51/468904151.db2.gz OGBGMQGGVLMKGF-RCCFBDPRSA-N 1 2 330.428 2.437 20 30 EEEDLO N#CCC[C@@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000595565644 468904305 /nfs/dbraw/zinc/90/43/05/468904305.db2.gz CDJJOIPVVBVPGX-ZWKOTPCHSA-N 1 2 342.443 2.148 20 30 EEEDLO CC(C)N1CCC[C@H]([NH+]2CCN(c3ccsc3C#N)CC2)C1=O ZINC000595629926 468930454 /nfs/dbraw/zinc/93/04/54/468930454.db2.gz AFEMZENVGVVZIZ-HNNXBMFYSA-N 1 2 332.473 2.141 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)COC ZINC000595638563 468933614 /nfs/dbraw/zinc/93/36/14/468933614.db2.gz IKXDGSIOSLJQIZ-GFCCVEGCSA-N 1 2 337.376 2.065 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)COC ZINC000595638563 468933618 /nfs/dbraw/zinc/93/36/18/468933618.db2.gz IKXDGSIOSLJQIZ-GFCCVEGCSA-N 1 2 337.376 2.065 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NC(C)(C)CCC[NH+](C)C)cc1C#N ZINC000598738471 468980665 /nfs/dbraw/zinc/98/06/65/468980665.db2.gz LTNBRZIWJPKGTH-UHFFFAOYSA-N 1 2 336.461 2.231 20 30 EEEDLO COCCO[C@@H]1CC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000614922026 469094826 /nfs/dbraw/zinc/09/48/26/469094826.db2.gz CDEFWSJMHYWKBB-QGZVFWFLSA-N 1 2 340.427 2.290 20 30 EEEDLO COCCO[C@@H]1CC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000614922026 469094830 /nfs/dbraw/zinc/09/48/30/469094830.db2.gz CDEFWSJMHYWKBB-QGZVFWFLSA-N 1 2 340.427 2.290 20 30 EEEDLO N#CCc1ccccc1S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000589127698 469198644 /nfs/dbraw/zinc/19/86/44/469198644.db2.gz KHOBUKAYRNYDFP-CQSZACIVSA-N 1 2 330.413 2.392 20 30 EEEDLO CCc1cc(N)nc(SC[C@H](O)COc2ccc(CC#N)cc2)[nH+]1 ZINC000563438310 469239440 /nfs/dbraw/zinc/23/94/40/469239440.db2.gz FLUUPOBABGAWMK-CQSZACIVSA-N 1 2 344.440 2.219 20 30 EEEDLO N#C[C@@]1(F)CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000615531230 469255710 /nfs/dbraw/zinc/25/57/10/469255710.db2.gz JJQFRGFJJDWIHT-KRWDZBQOSA-N 1 2 343.362 2.432 20 30 EEEDLO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611550349 469276415 /nfs/dbraw/zinc/27/64/15/469276415.db2.gz DJPCIXKFSRIWCR-CRAIPNDOSA-N 1 2 346.450 2.263 20 30 EEEDLO N#Cc1cnn(-c2ccccc2)c1N1CC[NH+](Cc2cccnc2)CC1 ZINC000603272134 469331351 /nfs/dbraw/zinc/33/13/51/469331351.db2.gz KTZNZSLSINXLBE-UHFFFAOYSA-N 1 2 344.422 2.461 20 30 EEEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)cc2Cl)[C@H](C)CO1 ZINC000596798020 469361719 /nfs/dbraw/zinc/36/17/19/469361719.db2.gz YAXOICVWIOWQBI-VXGBXAGGSA-N 1 2 336.823 2.442 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)cc2Cl)[C@H](C)CO1 ZINC000596798020 469361723 /nfs/dbraw/zinc/36/17/23/469361723.db2.gz YAXOICVWIOWQBI-VXGBXAGGSA-N 1 2 336.823 2.442 20 30 EEEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)cc2Cl)[C@@H](C)CO1 ZINC000596798018 469362014 /nfs/dbraw/zinc/36/20/14/469362014.db2.gz YAXOICVWIOWQBI-NWDGAFQWSA-N 1 2 336.823 2.442 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)cc2Cl)[C@@H](C)CO1 ZINC000596798018 469362022 /nfs/dbraw/zinc/36/20/22/469362022.db2.gz YAXOICVWIOWQBI-NWDGAFQWSA-N 1 2 336.823 2.442 20 30 EEEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1C#N ZINC000619074469 469517788 /nfs/dbraw/zinc/51/77/88/469517788.db2.gz KANKLPQLVAKMHO-UHFFFAOYSA-N 1 2 334.427 2.404 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000619719456 469669397 /nfs/dbraw/zinc/66/93/97/469669397.db2.gz AGOVTJPCLPMSKA-CXAGYDPISA-N 1 2 334.416 2.308 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000619719456 469669402 /nfs/dbraw/zinc/66/94/02/469669402.db2.gz AGOVTJPCLPMSKA-CXAGYDPISA-N 1 2 334.416 2.308 20 30 EEEDLO C=CC[C@@H]1CCCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000617783998 469801393 /nfs/dbraw/zinc/80/13/93/469801393.db2.gz LJSZLVZPWJLJFE-QGZVFWFLSA-N 1 2 328.460 2.018 20 30 EEEDLO COc1cc(C)nc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)n1 ZINC000609273277 469911104 /nfs/dbraw/zinc/91/11/04/469911104.db2.gz JBBFOERLSDYRLP-UHFFFAOYSA-N 1 2 341.390 2.127 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC000609313246 469916225 /nfs/dbraw/zinc/91/62/25/469916225.db2.gz OYUYSHALSNUDMW-CQSZACIVSA-N 1 2 328.412 2.378 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC000609313246 469916227 /nfs/dbraw/zinc/91/62/27/469916227.db2.gz OYUYSHALSNUDMW-CQSZACIVSA-N 1 2 328.412 2.378 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000609486210 469932606 /nfs/dbraw/zinc/93/26/06/469932606.db2.gz FWQIDNFHKPXRDI-SJLPKXTDSA-N 1 2 334.508 2.237 20 30 EEEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccccc2C(C)(C)C)nn1 ZINC000640788055 471028996 /nfs/dbraw/zinc/02/89/96/471028996.db2.gz OKAIIMGBNFMEPY-UHFFFAOYSA-N 1 2 339.443 2.327 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nn1 ZINC000640803078 471035475 /nfs/dbraw/zinc/03/54/75/471035475.db2.gz VIBGLWTVFDJSJQ-NSHDSACASA-N 1 2 349.797 2.383 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(OCc3ccncc3)cc2)nn1 ZINC000640993673 471156810 /nfs/dbraw/zinc/15/68/10/471156810.db2.gz AXSOMCDWDNZDEM-UHFFFAOYSA-N 1 2 347.422 2.413 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(c3ccc(Cl)cc3)C2=O)nn1 ZINC000641064848 471187523 /nfs/dbraw/zinc/18/75/23/471187523.db2.gz UDCXGCIRJQIGJZ-INIZCTEOSA-N 1 2 343.818 2.022 20 30 EEEDLO C=C[C@](C)(O)C(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000669234075 471426724 /nfs/dbraw/zinc/42/67/24/471426724.db2.gz LEUQKFOCXBUWAX-WMZOPIPTSA-N 1 2 338.398 2.497 20 30 EEEDLO C=CC[C@H]1CCC[N@@H+](Cc2nnc3n2c2ccsc2c(=O)n3C)C1 ZINC000661381927 471734859 /nfs/dbraw/zinc/73/48/59/471734859.db2.gz QEHPKYHCWAGHAT-LBPRGKRZSA-N 1 2 343.456 2.431 20 30 EEEDLO C=CC[C@H]1CCC[N@H+](Cc2nnc3n2c2ccsc2c(=O)n3C)C1 ZINC000661381927 471734863 /nfs/dbraw/zinc/73/48/63/471734863.db2.gz QEHPKYHCWAGHAT-LBPRGKRZSA-N 1 2 343.456 2.431 20 30 EEEDLO C=C[C@@H](O)C(=O)N(CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000668260260 472062357 /nfs/dbraw/zinc/06/23/57/472062357.db2.gz GXBJFFQCSRSGEO-GOSISDBHSA-N 1 2 343.427 2.248 20 30 EEEDLO N#CC1(NC(=O)C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)CCC1 ZINC000595829628 485609878 /nfs/dbraw/zinc/60/98/78/485609878.db2.gz RYYHDSPTRQKWEQ-LBPRGKRZSA-N 1 2 342.226 2.179 20 30 EEEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1[nH]c[nH+]c1C ZINC000674718749 485791474 /nfs/dbraw/zinc/79/14/74/485791474.db2.gz ZZDHRFNHWPTDRG-UHFFFAOYSA-N 1 2 337.383 2.399 20 30 EEEDLO N#CCCCS(=O)(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000111329683 534625589 /nfs/dbraw/zinc/62/55/89/534625589.db2.gz VVKCXHUZQJOMBH-UHFFFAOYSA-N 1 2 336.461 2.185 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496020395 534658982 /nfs/dbraw/zinc/65/89/82/534658982.db2.gz KPFWPNWOXRANQY-CQSZACIVSA-N 1 2 325.453 2.010 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496020395 534658993 /nfs/dbraw/zinc/65/89/93/534658993.db2.gz KPFWPNWOXRANQY-CQSZACIVSA-N 1 2 325.453 2.010 20 30 EEEDLO C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106584146 526354670 /nfs/dbraw/zinc/35/46/70/526354670.db2.gz VJYLDAMAOFLMRM-KRWDZBQOSA-N 1 2 330.476 2.020 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000115604657 526543140 /nfs/dbraw/zinc/54/31/40/526543140.db2.gz NEMVQHOTOISEMS-GJZGRUSLSA-N 1 2 342.447 2.126 20 30 EEEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000109834505 526906915 /nfs/dbraw/zinc/90/69/15/526906915.db2.gz KHPQPJHEVAHLCT-CQSZACIVSA-N 1 2 328.309 2.424 20 30 EEEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000109834505 526906917 /nfs/dbraw/zinc/90/69/17/526906917.db2.gz KHPQPJHEVAHLCT-CQSZACIVSA-N 1 2 328.309 2.424 20 30 EEEDLO C=CC1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCN(C)CC2)CC1 ZINC000110365292 526973498 /nfs/dbraw/zinc/97/34/98/526973498.db2.gz MFPZDVMLNHCFNS-IBGZPJMESA-N 1 2 327.472 2.400 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1C ZINC000291955375 527293307 /nfs/dbraw/zinc/29/33/07/527293307.db2.gz UTJCRWMETHBNTO-AWEZNQCLSA-N 1 2 326.387 2.423 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC(F)(F)[C@H](CO)C2)c1C ZINC000291955375 527293313 /nfs/dbraw/zinc/29/33/13/527293313.db2.gz UTJCRWMETHBNTO-AWEZNQCLSA-N 1 2 326.387 2.423 20 30 EEEDLO CC(C)c1nc([C@H]2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)no1 ZINC000360160376 528317965 /nfs/dbraw/zinc/31/79/65/528317965.db2.gz YHYAEBSORWJOEM-UGSOOPFHSA-N 1 2 345.447 2.181 20 30 EEEDLO CC(C)c1nc([C@H]2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)no1 ZINC000360160376 528317968 /nfs/dbraw/zinc/31/79/68/528317968.db2.gz YHYAEBSORWJOEM-UGSOOPFHSA-N 1 2 345.447 2.181 20 30 EEEDLO C[C@H]([C@H](C)NC(=O)c1ccccc1SCC#N)[NH+]1CCOCC1 ZINC000729444377 576655293 /nfs/dbraw/zinc/65/52/93/576655293.db2.gz KEVGKXSDZIECCW-UONOGXRCSA-N 1 2 333.457 2.141 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(SC(=O)N(C)C)cc1 ZINC000732072040 577146530 /nfs/dbraw/zinc/14/65/30/577146530.db2.gz SPKLYHYYWAXZMN-HNNXBMFYSA-N 1 2 331.441 2.496 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(SC(=O)N(C)C)cc1 ZINC000732072040 577146533 /nfs/dbraw/zinc/14/65/33/577146533.db2.gz SPKLYHYYWAXZMN-HNNXBMFYSA-N 1 2 331.441 2.496 20 30 EEEDLO C=CCNC(=S)N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000732625064 577186238 /nfs/dbraw/zinc/18/62/38/577186238.db2.gz BSMCHGZFMBUVBZ-HNNXBMFYSA-N 1 2 339.892 2.052 20 30 EEEDLO COC(=O)c1cccc(OCCO[NH+]=C(N)c2ccc(F)cc2)c1 ZINC000733304846 577219209 /nfs/dbraw/zinc/21/92/09/577219209.db2.gz PGPODNJJUYULRZ-UHFFFAOYSA-N 1 2 332.331 2.328 20 30 EEEDLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(O)cc(C#N)c2)cn1 ZINC000776341733 577457929 /nfs/dbraw/zinc/45/79/29/577457929.db2.gz VZRLGYRQDNDWGG-UHFFFAOYSA-N 1 2 333.351 2.083 20 30 EEEDLO C[C@@H](C#N)Oc1ccc(CN2CC[NH+](Cc3cnn(C)c3)CC2)cc1 ZINC000769309158 577574693 /nfs/dbraw/zinc/57/46/93/577574693.db2.gz RQYVLSUMCZWQPX-INIZCTEOSA-N 1 2 339.443 2.029 20 30 EEEDLO C[S@@](=O)CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000771148524 577610605 /nfs/dbraw/zinc/61/06/05/577610605.db2.gz VTAAZBWTTVMGOI-HSZRJFAPSA-N 1 2 345.390 2.078 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[C@H](C)C(=O)OC)cc1 ZINC000759321368 577641014 /nfs/dbraw/zinc/64/10/14/577641014.db2.gz MFBIJHVPNLSULH-YOEHRIQHSA-N 1 2 328.412 2.074 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[C@H](C)C(=O)OC)cc1 ZINC000759321368 577641015 /nfs/dbraw/zinc/64/10/15/577641015.db2.gz MFBIJHVPNLSULH-YOEHRIQHSA-N 1 2 328.412 2.074 20 30 EEEDLO C(=NNc1ccc(-n2cc[nH+]c2)nn1)c1cnc([C@H]2CCCO2)s1 ZINC000761837815 577689866 /nfs/dbraw/zinc/68/98/66/577689866.db2.gz SPOBXBHUDZMUKF-GFCCVEGCSA-N 1 2 341.400 2.416 20 30 EEEDLO c1cn(-c2ccc(N=NCc3ccn(-c4ccccc4)n3)nn2)c[nH+]1 ZINC000761837377 577689922 /nfs/dbraw/zinc/68/99/22/577689922.db2.gz DTYMCEDBHPAIJA-UHFFFAOYSA-N 1 2 330.355 2.294 20 30 EEEDLO Brc1cccc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)n1 ZINC000761844871 577689972 /nfs/dbraw/zinc/68/99/72/577689972.db2.gz CXAWMEWPGFEJAN-UHFFFAOYSA-N 1 2 344.176 2.266 20 30 EEEDLO Cc1ccc(C)c2c1NC(=O)C2=NNc1ccc(-n2cc[nH+]c2)nn1 ZINC000761860540 577690277 /nfs/dbraw/zinc/69/02/77/577690277.db2.gz LNPFZQOEPCICOT-UHFFFAOYSA-N 1 2 333.355 2.047 20 30 EEEDLO O=[N+]([O-])c1ccc(O)c(/C=N/[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000763098481 577714896 /nfs/dbraw/zinc/71/48/96/577714896.db2.gz XTWMNGMFZGDQDO-QSMOJRPFSA-N 1 2 333.388 2.363 20 30 EEEDLO C=CCc1cc(C(=O)NCCc2c[nH+]cn2C)cc(OC)c1OC ZINC000753680468 577791830 /nfs/dbraw/zinc/79/18/30/577791830.db2.gz VANAKOLVGCGQOJ-UHFFFAOYSA-N 1 2 329.400 2.138 20 30 EEEDLO Cc1[nH+]cc(C=NNc2nc3c(cnn3C)c(=O)[nH]2)n1-c1ccccc1 ZINC000755716250 577829805 /nfs/dbraw/zinc/82/98/05/577829805.db2.gz DZRZCOGZBYFXDC-UHFFFAOYSA-N 1 2 348.370 2.009 20 30 EEEDLO C#CCOc1ccccc1CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000756074557 577837831 /nfs/dbraw/zinc/83/78/31/577837831.db2.gz WTRKVLHCDOOVEO-MRXNPFEDSA-N 1 2 338.411 2.131 20 30 EEEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000744154069 577893636 /nfs/dbraw/zinc/89/36/36/577893636.db2.gz XHKUFIPOCCSXHG-IBGZPJMESA-N 1 2 327.428 2.395 20 30 EEEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000744154069 577893637 /nfs/dbraw/zinc/89/36/37/577893637.db2.gz XHKUFIPOCCSXHG-IBGZPJMESA-N 1 2 327.428 2.395 20 30 EEEDLO C=CCn1nnn(C[N@H+](CCOC)CCc2ccccc2)c1=S ZINC000746051955 577921678 /nfs/dbraw/zinc/92/16/78/577921678.db2.gz WYGUKACOGMCJCP-UHFFFAOYSA-N 1 2 333.461 2.144 20 30 EEEDLO C=CCn1nnn(C[N@@H+](CCOC)CCc2ccccc2)c1=S ZINC000746051955 577921679 /nfs/dbraw/zinc/92/16/79/577921679.db2.gz WYGUKACOGMCJCP-UHFFFAOYSA-N 1 2 333.461 2.144 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(C)o2)[C@@H]1CC ZINC001087758483 782187732 /nfs/dbraw/zinc/18/77/32/782187732.db2.gz XVKWEPOHOAGTON-CUSZFKRNSA-N 1 2 347.459 2.433 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)o2)[C@@H]1CC ZINC001087758483 782187740 /nfs/dbraw/zinc/18/77/40/782187740.db2.gz XVKWEPOHOAGTON-CUSZFKRNSA-N 1 2 347.459 2.433 20 30 EEEDLO C[C@@H](NC(=O)c1cncs1)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000969358080 674882862 /nfs/dbraw/zinc/88/28/62/674882862.db2.gz DTRJFQKEYICVLC-CYBMUJFWSA-N 1 2 343.427 2.384 20 30 EEEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](Cc2c(F)cccc2F)C1 ZINC000969514250 675085395 /nfs/dbraw/zinc/08/53/95/675085395.db2.gz MEFYFUKRIVJVGQ-LLVKDONJSA-N 1 2 344.365 2.415 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnnn2-c2ccccc2)C1 ZINC000970500343 675939778 /nfs/dbraw/zinc/93/97/78/675939778.db2.gz CPKXKXSPWOQJHK-CYBMUJFWSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnn(-c3ccccn3)c2)C1 ZINC000970523563 675960079 /nfs/dbraw/zinc/96/00/79/675960079.db2.gz OVRDDWIVJVULST-ZDUSSCGKSA-N 1 2 345.834 2.070 20 30 EEEDLO C[C@@H](NC(=O)c1ccsn1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969930529 675316647 /nfs/dbraw/zinc/31/66/47/675316647.db2.gz CGCODACEHWHOKG-GFCCVEGCSA-N 1 2 326.425 2.265 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c(C)nc3ccnn3c2C)C1 ZINC000969990119 675368849 /nfs/dbraw/zinc/36/88/49/675368849.db2.gz CZIWZTBCUXSWQP-NSHDSACASA-N 1 2 347.850 2.149 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cncs2)C1 ZINC000971148722 676412969 /nfs/dbraw/zinc/41/29/69/676412969.db2.gz DERFKSGRRHUWCI-SNVBAGLBSA-N 1 2 330.251 2.198 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2cncs2)C1 ZINC000971148722 676412970 /nfs/dbraw/zinc/41/29/70/676412970.db2.gz DERFKSGRRHUWCI-SNVBAGLBSA-N 1 2 330.251 2.198 20 30 EEEDLO O=C(N[C@H]1C[C@@H]([NH2+]Cc2c(F)c(F)c(F)c(F)c2F)C1)C(F)F ZINC001021756436 676417094 /nfs/dbraw/zinc/41/70/94/676417094.db2.gz FFMVTEYGMJEKED-SYDPRGILSA-N 1 2 344.230 2.384 20 30 EEEDLO CCC(CC)n1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC000971220819 676446632 /nfs/dbraw/zinc/44/66/32/676446632.db2.gz KSJFZDFQISXGIJ-RHSMWYFYSA-N 1 2 331.464 2.437 20 30 EEEDLO CCC(CC)n1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)n1 ZINC000971220819 676446634 /nfs/dbraw/zinc/44/66/34/676446634.db2.gz KSJFZDFQISXGIJ-RHSMWYFYSA-N 1 2 331.464 2.437 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC000971248875 676453974 /nfs/dbraw/zinc/45/39/74/676453974.db2.gz GZMCKBCPEZVPAJ-KDOFPFPSSA-N 1 2 345.418 2.157 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC000971248875 676453975 /nfs/dbraw/zinc/45/39/75/676453975.db2.gz GZMCKBCPEZVPAJ-KDOFPFPSSA-N 1 2 345.418 2.157 20 30 EEEDLO C[N@H+](Cc1ncc(C2CC2)o1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971291129 676472366 /nfs/dbraw/zinc/47/23/66/676472366.db2.gz HNMGHFSNRPHCMA-CQSZACIVSA-N 1 2 339.399 2.098 20 30 EEEDLO C[N@@H+](Cc1ncc(C2CC2)o1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971291129 676472368 /nfs/dbraw/zinc/47/23/68/676472368.db2.gz HNMGHFSNRPHCMA-CQSZACIVSA-N 1 2 339.399 2.098 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)/C=C\c2ccc[nH]2)C1 ZINC000971411304 676535916 /nfs/dbraw/zinc/53/59/16/676535916.db2.gz SLXRCQFNNKTADH-GEXIGZQTSA-N 1 2 338.249 2.469 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)/C=C\c2ccc[nH]2)C1 ZINC000971411304 676535918 /nfs/dbraw/zinc/53/59/18/676535918.db2.gz SLXRCQFNNKTADH-GEXIGZQTSA-N 1 2 338.249 2.469 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000971444709 676557136 /nfs/dbraw/zinc/55/71/36/676557136.db2.gz FPHNSYDPONONES-DCAQKATOSA-N 1 2 337.208 2.329 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000971444709 676557137 /nfs/dbraw/zinc/55/71/37/676557137.db2.gz FPHNSYDPONONES-DCAQKATOSA-N 1 2 337.208 2.329 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(C)ccc3C)CC2)C1 ZINC000949518318 676566021 /nfs/dbraw/zinc/56/60/21/676566021.db2.gz QPVPAIAYCAWCMB-UHFFFAOYSA-N 1 2 326.440 2.244 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc(C)ccc3C)CC2)C1 ZINC000949518318 676566023 /nfs/dbraw/zinc/56/60/23/676566023.db2.gz QPVPAIAYCAWCMB-UHFFFAOYSA-N 1 2 326.440 2.244 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971515006 676607349 /nfs/dbraw/zinc/60/73/49/676607349.db2.gz YWBZGMXRKOQWRM-SFHVURJKSA-N 1 2 325.387 2.143 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971515006 676607350 /nfs/dbraw/zinc/60/73/50/676607350.db2.gz YWBZGMXRKOQWRM-SFHVURJKSA-N 1 2 325.387 2.143 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H](C)c3nc(C)no3)C2)cc1 ZINC000972059397 678185566 /nfs/dbraw/zinc/18/55/66/678185566.db2.gz SNGVELLUMRHRDA-SUMWQHHRSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H](C)c3nc(C)no3)C2)cc1 ZINC000972059397 678185569 /nfs/dbraw/zinc/18/55/69/678185569.db2.gz SNGVELLUMRHRDA-SUMWQHHRSA-N 1 2 338.411 2.267 20 30 EEEDLO C=C1CCC(C(=O)N2CCC(O)(CNc3cc[nH+]c(C)n3)CC2)CC1 ZINC001067485237 678461431 /nfs/dbraw/zinc/46/14/31/678461431.db2.gz RNHFYFIRBNSKSO-UHFFFAOYSA-N 1 2 344.459 2.297 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)cs2)C1 ZINC000972372305 678620687 /nfs/dbraw/zinc/62/06/87/678620687.db2.gz FCFCMUQVZSHSRR-ZNMIVQPWSA-N 1 2 335.473 2.075 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)cs2)C1 ZINC000972372305 678620690 /nfs/dbraw/zinc/62/06/90/678620690.db2.gz FCFCMUQVZSHSRR-ZNMIVQPWSA-N 1 2 335.473 2.075 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)cccc3C)C2)C1 ZINC000972400086 678687360 /nfs/dbraw/zinc/68/73/60/678687360.db2.gz RNHKXUJMXCMOBC-NRFANRHFSA-N 1 2 340.467 2.173 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)cccc3C)C2)C1 ZINC000972400086 678687363 /nfs/dbraw/zinc/68/73/63/678687363.db2.gz RNHKXUJMXCMOBC-NRFANRHFSA-N 1 2 340.467 2.173 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnn3C3CCCC3)C2)C1 ZINC000972402372 678688544 /nfs/dbraw/zinc/68/85/44/678688544.db2.gz QHQRQRWCFGOYLB-LJQANCHMSA-N 1 2 344.459 2.101 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnn3C3CCCC3)C2)C1 ZINC000972402372 678688549 /nfs/dbraw/zinc/68/85/49/678688549.db2.gz QHQRQRWCFGOYLB-LJQANCHMSA-N 1 2 344.459 2.101 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cc(C)c(Cl)cn3)C2)C1 ZINC000972435517 678737409 /nfs/dbraw/zinc/73/74/09/678737409.db2.gz OCGHDILDYKJIBP-GOSISDBHSA-N 1 2 349.862 2.075 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cc(C)c(Cl)cn3)C2)C1 ZINC000972435517 678737412 /nfs/dbraw/zinc/73/74/12/678737412.db2.gz OCGHDILDYKJIBP-GOSISDBHSA-N 1 2 349.862 2.075 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3ccc(C)cc3)C2)C1 ZINC000972458709 678789278 /nfs/dbraw/zinc/78/92/78/678789278.db2.gz MVIGPKBAKQNKGL-OAQYLSRUSA-N 1 2 340.467 2.254 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3ccc(C)cc3)C2)C1 ZINC000972458709 678789282 /nfs/dbraw/zinc/78/92/82/678789282.db2.gz MVIGPKBAKQNKGL-OAQYLSRUSA-N 1 2 340.467 2.254 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(CCC)cc3)C2)C1 ZINC000972523940 679161300 /nfs/dbraw/zinc/16/13/00/679161300.db2.gz MLCVUSXVFXRXCD-HXUWFJFHSA-N 1 2 326.440 2.189 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(CCC)cc3)C2)C1 ZINC000972523940 679161301 /nfs/dbraw/zinc/16/13/01/679161301.db2.gz MLCVUSXVFXRXCD-HXUWFJFHSA-N 1 2 326.440 2.189 20 30 EEEDLO C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)C1 ZINC000972562028 679295588 /nfs/dbraw/zinc/29/55/88/679295588.db2.gz ZNXUZKUCKUGIFM-LJQANCHMSA-N 1 2 346.475 2.416 20 30 EEEDLO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)C1 ZINC000972562028 679295589 /nfs/dbraw/zinc/29/55/89/679295589.db2.gz ZNXUZKUCKUGIFM-LJQANCHMSA-N 1 2 346.475 2.416 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)c3cccnc3)C2)C1 ZINC000972580780 679346068 /nfs/dbraw/zinc/34/60/68/679346068.db2.gz BFAKYHRSTYJKMY-VQIMIIECSA-N 1 2 329.444 2.065 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)c3cccnc3)C2)C1 ZINC000972580780 679346070 /nfs/dbraw/zinc/34/60/70/679346070.db2.gz BFAKYHRSTYJKMY-VQIMIIECSA-N 1 2 329.444 2.065 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(Cl)cs3)C2)C1 ZINC000972582586 679350523 /nfs/dbraw/zinc/35/05/23/679350523.db2.gz MVIWMIILSJVIAL-MRXNPFEDSA-N 1 2 338.860 2.342 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(Cl)cs3)C2)C1 ZINC000972582586 679350525 /nfs/dbraw/zinc/35/05/25/679350525.db2.gz MVIWMIILSJVIAL-MRXNPFEDSA-N 1 2 338.860 2.342 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3scnc3C(C)C)C2)C1 ZINC000972585073 679359528 /nfs/dbraw/zinc/35/95/28/679359528.db2.gz GVHURNAXRRXNBG-QGZVFWFLSA-N 1 2 335.473 2.369 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3scnc3C(C)C)C2)C1 ZINC000972585073 679359529 /nfs/dbraw/zinc/35/95/29/679359529.db2.gz GVHURNAXRRXNBG-QGZVFWFLSA-N 1 2 335.473 2.369 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3sc(C)cc3C)C2)C1 ZINC000972660506 679527030 /nfs/dbraw/zinc/52/70/30/679527030.db2.gz TWXYLRYFNVQLMI-IBGZPJMESA-N 1 2 346.496 2.234 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3sc(C)cc3C)C2)C1 ZINC000972660506 679527031 /nfs/dbraw/zinc/52/70/31/679527031.db2.gz TWXYLRYFNVQLMI-IBGZPJMESA-N 1 2 346.496 2.234 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2cn3ccccc3n2)C(C)(C)C1 ZINC000974737334 685377775 /nfs/dbraw/zinc/37/77/75/685377775.db2.gz RFWDDAGZHKFXLS-HNNXBMFYSA-N 1 2 346.862 2.456 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2cn3ccccc3n2)C(C)(C)C1 ZINC000974737334 685377780 /nfs/dbraw/zinc/37/77/80/685377780.db2.gz RFWDDAGZHKFXLS-HNNXBMFYSA-N 1 2 346.862 2.456 20 30 EEEDLO Cc1cc(N2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c(C#N)cn1 ZINC001058594413 681451754 /nfs/dbraw/zinc/45/17/54/681451754.db2.gz RNPPWLICXPWQGO-HNNXBMFYSA-N 1 2 346.394 2.147 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1c(C)nn2cccnc12 ZINC001024804808 681456383 /nfs/dbraw/zinc/45/63/83/681456383.db2.gz HXHGUVGXTMHPHI-AWEZNQCLSA-N 1 2 347.850 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1c(C)nn2cccnc12 ZINC001024804808 681456387 /nfs/dbraw/zinc/45/63/87/681456387.db2.gz HXHGUVGXTMHPHI-AWEZNQCLSA-N 1 2 347.850 2.375 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001007503093 682235784 /nfs/dbraw/zinc/23/57/84/682235784.db2.gz PFNJGFKJIONRMT-MRXNPFEDSA-N 1 2 339.443 2.167 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@H+](Cc2cnc(C)cn2)C1 ZINC001007503093 682235788 /nfs/dbraw/zinc/23/57/88/682235788.db2.gz PFNJGFKJIONRMT-MRXNPFEDSA-N 1 2 339.443 2.167 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)c1cnco1 ZINC000974869346 685635666 /nfs/dbraw/zinc/63/56/66/685635666.db2.gz GFDRZDFLSDBREX-AWEZNQCLSA-N 1 2 330.413 2.248 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)c1cnco1 ZINC000974869346 685635670 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MOTMOGRJGMSWNR-WKILWMFISA-N 1 2 347.422 2.412 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ccon2)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000993056816 683811766 /nfs/dbraw/zinc/81/17/66/683811766.db2.gz XJXGZQMOOGGMET-LRDDRELGSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ccon2)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000993056816 683811773 /nfs/dbraw/zinc/81/17/73/683811773.db2.gz XJXGZQMOOGGMET-LRDDRELGSA-N 1 2 342.374 2.468 20 30 EEEDLO C=C(Br)CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000049286543 683854692 /nfs/dbraw/zinc/85/46/92/683854692.db2.gz CNECXOYJTUMDTH-UHFFFAOYSA-N 1 2 339.237 2.390 20 30 EEEDLO C=CCC1(O)CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC000899595799 693803782 /nfs/dbraw/zinc/80/37/82/693803782.db2.gz ZRPLHMBCJCSIEQ-UHFFFAOYSA-N 1 2 327.384 2.121 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)[C@H](C)c3ncccn3)C2)cn1 ZINC001027655755 693809526 /nfs/dbraw/zinc/80/95/26/693809526.db2.gz BLTGIAZIRGAQRJ-QAPCUYQASA-N 1 2 349.438 2.151 20 30 EEEDLO 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ZINC001033617243 1194958113 /nfs/dbraw/zinc/95/81/13/1194958113.db2.gz QSVXVVIAUYPPTR-GOSISDBHSA-N 1 2 337.423 2.240 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@H]2C)C1 ZINC001005259906 1195001136 /nfs/dbraw/zinc/00/11/36/1195001136.db2.gz YLBWLZZNPJDZCF-HUUCEWRRSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2c3ccccc3NC2=O)C1 ZINC001033703403 1195097503 /nfs/dbraw/zinc/09/75/03/1195097503.db2.gz ZIXWGJNGUFYWMO-HIFRSBDPSA-N 1 2 347.846 2.398 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2c3ccccc3NC2=O)C1 ZINC001033703403 1195097507 /nfs/dbraw/zinc/09/75/07/1195097507.db2.gz ZIXWGJNGUFYWMO-HIFRSBDPSA-N 1 2 347.846 2.398 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001033707721 1195105861 /nfs/dbraw/zinc/10/58/61/1195105861.db2.gz PMBDUXVNWHVCJN-WFASDCNBSA-N 1 2 338.883 2.426 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001033707721 1195105863 /nfs/dbraw/zinc/10/58/63/1195105863.db2.gz PMBDUXVNWHVCJN-WFASDCNBSA-N 1 2 338.883 2.426 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnn3cc(C)cnc23)C1 ZINC001033979850 1195598126 /nfs/dbraw/zinc/59/81/26/1195598126.db2.gz UHJITUKNNNYCJV-AWEZNQCLSA-N 1 2 347.850 2.327 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn3cc(C)cnc23)C1 ZINC001033979850 1195598130 /nfs/dbraw/zinc/59/81/30/1195598130.db2.gz UHJITUKNNNYCJV-AWEZNQCLSA-N 1 2 347.850 2.327 20 30 EEEDLO N#Cc1cc(C(=O)N[C@H]2CCCC[N@H+](Cc3nccs3)C2)c[nH]1 ZINC001034171186 1195893502 /nfs/dbraw/zinc/89/35/02/1195893502.db2.gz KOSSFUCZHCRMIS-ZDUSSCGKSA-N 1 2 329.429 2.127 20 30 EEEDLO N#Cc1cc(C(=O)N[C@H]2CCCC[N@@H+](Cc3nccs3)C2)c[nH]1 ZINC001034171186 1195893505 /nfs/dbraw/zinc/89/35/05/1195893505.db2.gz KOSSFUCZHCRMIS-ZDUSSCGKSA-N 1 2 329.429 2.127 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnc3[nH]cnc3c2)C1 ZINC001034227897 1195963391 /nfs/dbraw/zinc/96/33/91/1195963391.db2.gz OUJSSPFMVNQRCE-CYBMUJFWSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnc3[nH]cnc3c2)C1 ZINC001034227897 1195963393 /nfs/dbraw/zinc/96/33/93/1195963393.db2.gz OUJSSPFMVNQRCE-CYBMUJFWSA-N 1 2 333.823 2.295 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001014767104 1224314504 /nfs/dbraw/zinc/31/45/04/1224314504.db2.gz MCWRPHSRXVBSCJ-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001014767104 1224314509 /nfs/dbraw/zinc/31/45/09/1224314509.db2.gz MCWRPHSRXVBSCJ-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cccc(C(N)=O)c2)C1 ZINC001034272475 1196026229 /nfs/dbraw/zinc/02/62/29/1196026229.db2.gz LASDLDXKAHVRAI-OAHLLOKOSA-N 1 2 335.835 2.122 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C(N)=O)c2)C1 ZINC001034272475 1196026233 /nfs/dbraw/zinc/02/62/33/1196026233.db2.gz LASDLDXKAHVRAI-OAHLLOKOSA-N 1 2 335.835 2.122 20 30 EEEDLO C#CCC[N@H+]1CCCC[C@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001034342029 1196123658 /nfs/dbraw/zinc/12/36/58/1196123658.db2.gz JFKIHSFOABPIJS-KRWDZBQOSA-N 1 2 337.427 2.079 20 30 EEEDLO C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001034342029 1196123660 /nfs/dbraw/zinc/12/36/60/1196123660.db2.gz JFKIHSFOABPIJS-KRWDZBQOSA-N 1 2 337.427 2.079 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ncc(CC)o2)C1 ZINC001034400976 1196191738 /nfs/dbraw/zinc/19/17/38/1196191738.db2.gz CJYLESOHHMLDLD-OIISXLGYSA-N 1 2 347.459 2.299 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ncc(CC)o2)C1 ZINC001034400976 1196191743 /nfs/dbraw/zinc/19/17/43/1196191743.db2.gz CJYLESOHHMLDLD-OIISXLGYSA-N 1 2 347.459 2.299 20 30 EEEDLO CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC001034529289 1196334671 /nfs/dbraw/zinc/33/46/71/1196334671.db2.gz ZZMRIZWOSOYMAU-HNNXBMFYSA-N 1 2 328.460 2.286 20 30 EEEDLO CC#CC[N@H+]1CCCC[C@H](NC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC001034529289 1196334676 /nfs/dbraw/zinc/33/46/76/1196334676.db2.gz ZZMRIZWOSOYMAU-HNNXBMFYSA-N 1 2 328.460 2.286 20 30 EEEDLO CC#CCCCC(=O)NC[C@]1(C)C[N@H+](Cc2cccnc2C)CCO1 ZINC001108144808 1196587818 /nfs/dbraw/zinc/58/78/18/1196587818.db2.gz ZZFWFQCRBXGBKE-HXUWFJFHSA-N 1 2 343.471 2.291 20 30 EEEDLO CC#CCCCC(=O)NC[C@]1(C)C[N@@H+](Cc2cccnc2C)CCO1 ZINC001108144808 1196587823 /nfs/dbraw/zinc/58/78/23/1196587823.db2.gz ZZFWFQCRBXGBKE-HXUWFJFHSA-N 1 2 343.471 2.291 20 30 EEEDLO N#Cc1cc(C(=O)NCc2ccc(C[NH2+]Cc3ccon3)cc2)c[nH]1 ZINC001034813100 1196766228 /nfs/dbraw/zinc/76/62/28/1196766228.db2.gz HZACRFHPHTXAJN-UHFFFAOYSA-N 1 2 335.367 2.094 20 30 EEEDLO CCOCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C#N)cc2F)C1=O ZINC001273302195 1197997019 /nfs/dbraw/zinc/99/70/19/1197997019.db2.gz ADZNUOJTNGDBCR-IBGZPJMESA-N 1 2 345.418 2.301 20 30 EEEDLO CCOCCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C#N)cc2F)C1=O ZINC001273302195 1197997023 /nfs/dbraw/zinc/99/70/23/1197997023.db2.gz ADZNUOJTNGDBCR-IBGZPJMESA-N 1 2 345.418 2.301 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1ccsn1 ZINC001014873521 1224474614 /nfs/dbraw/zinc/47/46/14/1224474614.db2.gz BELSKWAWMKDCHX-OAHLLOKOSA-N 1 2 329.400 2.138 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)c1ccsn1 ZINC001014873521 1224474620 /nfs/dbraw/zinc/47/46/20/1224474620.db2.gz BELSKWAWMKDCHX-OAHLLOKOSA-N 1 2 329.400 2.138 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@@H](NC(=O)Cn3cc[nH+]c3)CC[C@@H]2C)CC1 ZINC001018229911 1224498696 /nfs/dbraw/zinc/49/86/96/1224498696.db2.gz HSDQBKVAOVFVEI-RDJZCZTQSA-N 1 2 344.459 2.125 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCCC(C)(C)C)C1 ZINC001132020436 1199216621 /nfs/dbraw/zinc/21/66/21/1199216621.db2.gz FPXFHORCDJOING-DLBZAZTESA-N 1 2 349.519 2.167 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCCC(C)(C)C)C1 ZINC001132020436 1199216627 /nfs/dbraw/zinc/21/66/27/1199216627.db2.gz FPXFHORCDJOING-DLBZAZTESA-N 1 2 349.519 2.167 20 30 EEEDLO CCC(C)(C)NC(=O)C[N@@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132034617 1199219459 /nfs/dbraw/zinc/21/94/59/1199219459.db2.gz SUPKSYNZIGATMM-JKSUJKDBSA-N 1 2 349.519 2.310 20 30 EEEDLO CCC(C)(C)NC(=O)C[N@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132034617 1199219463 /nfs/dbraw/zinc/21/94/63/1199219463.db2.gz SUPKSYNZIGATMM-JKSUJKDBSA-N 1 2 349.519 2.310 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ncoc2C(C)C)C1 ZINC001132029392 1199231907 /nfs/dbraw/zinc/23/19/07/1199231907.db2.gz LLXABYORQMPBEU-JKSUJKDBSA-N 1 2 347.459 2.307 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001132029392 1199231913 /nfs/dbraw/zinc/23/19/13/1199231913.db2.gz LLXABYORQMPBEU-JKSUJKDBSA-N 1 2 347.459 2.307 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nccn2C)C1 ZINC001132228783 1199470132 /nfs/dbraw/zinc/47/01/32/1199470132.db2.gz WJIUEYMCQSHLMY-DLBZAZTESA-N 1 2 330.476 2.473 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nccn2C)C1 ZINC001132228783 1199470135 /nfs/dbraw/zinc/47/01/35/1199470135.db2.gz WJIUEYMCQSHLMY-DLBZAZTESA-N 1 2 330.476 2.473 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[NH2+]Cc1nnc(C(F)(F)F)s1 ZINC001134412106 1199557449 /nfs/dbraw/zinc/55/74/49/1199557449.db2.gz UZMGUAIQWOQIBR-UHFFFAOYSA-N 1 2 336.383 2.365 20 30 EEEDLO C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nsc(N(C)C)n1 ZINC001134469465 1199588609 /nfs/dbraw/zinc/58/86/09/1199588609.db2.gz CPRBUBOSTRXKTE-CHWSQXEVSA-N 1 2 339.509 2.333 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC(C(F)(F)F)(C1)C2 ZINC001018308853 1224594436 /nfs/dbraw/zinc/59/44/36/1224594436.db2.gz HRKSYQOGWKMEOX-YPXDRJKUSA-N 1 2 326.362 2.418 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC(C(F)(F)F)(C1)C2 ZINC001018308853 1224594451 /nfs/dbraw/zinc/59/44/51/1224594451.db2.gz HRKSYQOGWKMEOX-YPXDRJKUSA-N 1 2 326.362 2.418 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000878803462 1200686875 /nfs/dbraw/zinc/68/68/75/1200686875.db2.gz BKSUIRJGEONNOG-HNNXBMFYSA-N 1 2 349.406 2.070 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000878803462 1200686878 /nfs/dbraw/zinc/68/68/78/1200686878.db2.gz BKSUIRJGEONNOG-HNNXBMFYSA-N 1 2 349.406 2.070 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H](C)C(C)(C)C)C2)CC1 ZINC001018367528 1224651547 /nfs/dbraw/zinc/65/15/47/1224651547.db2.gz SKEWIXWSYUYZSF-IAGOWNOFSA-N 1 2 349.519 2.237 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)CC[C@@H]2C)CC1 ZINC001018367588 1224651993 /nfs/dbraw/zinc/65/19/93/1224651993.db2.gz MXECSJOFIBQSPW-HOCLYGCPSA-N 1 2 344.459 2.194 20 30 EEEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]NC(=S)N[C@@H](C)C1CC1 ZINC000794913904 1201499974 /nfs/dbraw/zinc/49/99/74/1201499974.db2.gz AQOYTRXAIYIINW-NSHDSACASA-N 1 2 342.472 2.359 20 30 EEEDLO C=C(Cl)CNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000868275249 1201780885 /nfs/dbraw/zinc/78/08/85/1201780885.db2.gz PVGKERWGRFKVQB-UHFFFAOYSA-N 1 2 326.853 2.187 20 30 EEEDLO C#CCSCCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883443714 1202065925 /nfs/dbraw/zinc/06/59/25/1202065925.db2.gz DSFYSALPJBFIAS-MRXNPFEDSA-N 1 2 328.441 2.290 20 30 EEEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)[C@@H]1CCC[C@H]1O ZINC000886480330 1202514045 /nfs/dbraw/zinc/51/40/45/1202514045.db2.gz OOWUXHPBGVZAOX-IACUBPJLSA-N 1 2 329.425 2.318 20 30 EEEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)[C@@H]1CCC[C@H]1O ZINC000886480330 1202514046 /nfs/dbraw/zinc/51/40/46/1202514046.db2.gz OOWUXHPBGVZAOX-IACUBPJLSA-N 1 2 329.425 2.318 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001016231844 1226233419 /nfs/dbraw/zinc/23/34/19/1226233419.db2.gz DHBMGZYQJBWLFR-CYBMUJFWSA-N 1 2 333.823 2.008 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001016231844 1226233423 /nfs/dbraw/zinc/23/34/23/1226233423.db2.gz DHBMGZYQJBWLFR-CYBMUJFWSA-N 1 2 333.823 2.008 20 30 EEEDLO N#CCC[NH+]1CCC2(C[C@@H]2C(=O)NCCc2ccc(O)cc2)CC1 ZINC001274031215 1204337729 /nfs/dbraw/zinc/33/77/29/1204337729.db2.gz KLBOKDQLVQJLPW-QGZVFWFLSA-N 1 2 327.428 2.067 20 30 EEEDLO 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348.450 2.075 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1cn2c(n1)CCC2 ZINC001007363793 1222191237 /nfs/dbraw/zinc/19/12/37/1222191237.db2.gz OZFLDOBTWCGWTE-SFHVURJKSA-N 1 2 348.450 2.075 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3cc[nH]n3)s2)C1 ZINC001007546508 1222287991 /nfs/dbraw/zinc/28/79/91/1222287991.db2.gz JKFVYKLVBPEOPA-CYBMUJFWSA-N 1 2 328.441 2.356 20 30 EEEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-c3cc[nH]n3)s2)C1 ZINC001007546508 1222287993 /nfs/dbraw/zinc/28/79/93/1222287993.db2.gz JKFVYKLVBPEOPA-CYBMUJFWSA-N 1 2 328.441 2.356 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)CC1 ZINC001014031726 1226126015 /nfs/dbraw/zinc/12/60/15/1226126015.db2.gz NVUWYELQVGOPAJ-XJKSGUPXSA-N 1 2 344.459 2.113 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)nc(C)n1 ZINC001008862736 1223060720 /nfs/dbraw/zinc/06/07/20/1223060720.db2.gz NQRPLTHZSPGIIM-LJQANCHMSA-N 1 2 348.450 2.339 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)nc(C)n1 ZINC001008862736 1223060722 /nfs/dbraw/zinc/06/07/22/1223060722.db2.gz NQRPLTHZSPGIIM-LJQANCHMSA-N 1 2 348.450 2.339 20 30 EEEDLO Cc1conc1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001009115198 1223145285 /nfs/dbraw/zinc/14/52/85/1223145285.db2.gz HQGAKTYIVXLXSC-QGZVFWFLSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1conc1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001009115198 1223145288 /nfs/dbraw/zinc/14/52/88/1223145288.db2.gz HQGAKTYIVXLXSC-QGZVFWFLSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001009758439 1223357825 /nfs/dbraw/zinc/35/78/25/1223357825.db2.gz GFUMYRZCMGPQIN-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001009758439 1223357829 /nfs/dbraw/zinc/35/78/29/1223357829.db2.gz GFUMYRZCMGPQIN-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)c1 ZINC001010421097 1223712811 /nfs/dbraw/zinc/71/28/11/1223712811.db2.gz MNYRWHVBFPSPBK-KRWDZBQOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)c1 ZINC001010421097 1223712814 /nfs/dbraw/zinc/71/28/14/1223712814.db2.gz MNYRWHVBFPSPBK-KRWDZBQOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1nscc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001010681941 1223848317 /nfs/dbraw/zinc/84/83/17/1223848317.db2.gz GNOXAKPSSOVCMG-MRXNPFEDSA-N 1 2 325.437 2.307 20 30 EEEDLO Cc1nscc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001010681941 1223848319 /nfs/dbraw/zinc/84/83/19/1223848319.db2.gz GNOXAKPSSOVCMG-MRXNPFEDSA-N 1 2 325.437 2.307 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(F)cn3)C2)cc1F ZINC001010716735 1223867103 /nfs/dbraw/zinc/86/71/03/1223867103.db2.gz IXPHILLZFNVLKQ-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(F)cn3)C2)cc1F ZINC001010716735 1223867106 /nfs/dbraw/zinc/86/71/06/1223867106.db2.gz IXPHILLZFNVLKQ-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO Cc1cnccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010871839 1223950117 /nfs/dbraw/zinc/95/01/17/1223950117.db2.gz WLPZERSWFUSPJK-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cnccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010871839 1223950121 /nfs/dbraw/zinc/95/01/21/1223950121.db2.gz WLPZERSWFUSPJK-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO CC(C)c1ncncc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016270947 1226281343 /nfs/dbraw/zinc/28/13/43/1226281343.db2.gz BEPDWSQRBRAXEF-GOSISDBHSA-N 1 2 348.450 2.456 20 30 EEEDLO CC(C)c1ncncc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016270947 1226281352 /nfs/dbraw/zinc/28/13/52/1226281352.db2.gz BEPDWSQRBRAXEF-GOSISDBHSA-N 1 2 348.450 2.456 20 30 EEEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)c1C1CC1 ZINC001016404646 1226444131 /nfs/dbraw/zinc/44/41/31/1226444131.db2.gz GQQIRTRACSEBKK-GOSISDBHSA-N 1 2 348.450 2.153 20 30 EEEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1C1CC1 ZINC001016404646 1226444135 /nfs/dbraw/zinc/44/41/35/1226444135.db2.gz GQQIRTRACSEBKK-GOSISDBHSA-N 1 2 348.450 2.153 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001016423772 1226463520 /nfs/dbraw/zinc/46/35/20/1226463520.db2.gz GSDUQIZATTYFBM-MRXNPFEDSA-N 1 2 342.830 2.227 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001016423772 1226463523 /nfs/dbraw/zinc/46/35/23/1226463523.db2.gz GSDUQIZATTYFBM-MRXNPFEDSA-N 1 2 342.830 2.227 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC001017691959 1227643373 /nfs/dbraw/zinc/64/33/73/1227643373.db2.gz WCHQQRKXFXRHPX-BHYGNILZSA-N 1 2 326.444 2.085 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC001017691959 1227643378 /nfs/dbraw/zinc/64/33/78/1227643378.db2.gz WCHQQRKXFXRHPX-BHYGNILZSA-N 1 2 326.444 2.085 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(-c2ncon2)c1 ZINC001017934039 1227888143 /nfs/dbraw/zinc/88/81/43/1227888143.db2.gz CGFGOKHENXABMW-CALCHBBNSA-N 1 2 336.395 2.049 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(-c2ncon2)c1 ZINC001017934039 1227888147 /nfs/dbraw/zinc/88/81/47/1227888147.db2.gz CGFGOKHENXABMW-CALCHBBNSA-N 1 2 336.395 2.049 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001018865586 1228469356 /nfs/dbraw/zinc/46/93/56/1228469356.db2.gz OPRZTYNTPPQUEG-XHSDSOJGSA-N 1 2 345.443 2.224 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)C2)nc1 ZINC001058407895 1248999954 /nfs/dbraw/zinc/99/99/54/1248999954.db2.gz YGNPZPHODDWGSX-INIZCTEOSA-N 1 2 347.422 2.047 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cnc(C3CC3)o2)c1 ZINC001038356274 1229765864 /nfs/dbraw/zinc/76/58/64/1229765864.db2.gz HSZLMTMOALKYIJ-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cnc(C3CC3)o2)c1 ZINC001038356274 1229765866 /nfs/dbraw/zinc/76/58/66/1229765866.db2.gz HSZLMTMOALKYIJ-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnc(C3CC3)o2)c1 ZINC001038356273 1229766217 /nfs/dbraw/zinc/76/62/17/1229766217.db2.gz HSZLMTMOALKYIJ-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnc(C3CC3)o2)c1 ZINC001038356273 1229766218 /nfs/dbraw/zinc/76/62/18/1229766218.db2.gz HSZLMTMOALKYIJ-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ncc(F)cc2F)cc1 ZINC001038412182 1229797172 /nfs/dbraw/zinc/79/71/72/1229797172.db2.gz SRGUULULYAKWKR-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ncc(F)cc2F)cc1 ZINC001038412182 1229797173 /nfs/dbraw/zinc/79/71/73/1229797173.db2.gz SRGUULULYAKWKR-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2cc(C)ns2)cc1 ZINC001038581528 1229926925 /nfs/dbraw/zinc/92/69/25/1229926925.db2.gz JSUMYPDQHCZWJA-MRXNPFEDSA-N 1 2 325.437 2.437 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cc(C)ns2)cc1 ZINC001038581528 1229926929 /nfs/dbraw/zinc/92/69/29/1229926929.db2.gz JSUMYPDQHCZWJA-MRXNPFEDSA-N 1 2 325.437 2.437 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2[C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001038664939 1229961060 /nfs/dbraw/zinc/96/10/60/1229961060.db2.gz APWPRNUBRKSJBV-YJBOKZPZSA-N 1 2 347.503 2.371 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001038664939 1229961063 /nfs/dbraw/zinc/96/10/63/1229961063.db2.gz APWPRNUBRKSJBV-YJBOKZPZSA-N 1 2 347.503 2.371 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ocnc2C(F)F)c1 ZINC001038703047 1229985259 /nfs/dbraw/zinc/98/52/59/1229985259.db2.gz HXHXPMYXAYEKKJ-ZDUSSCGKSA-N 1 2 346.337 2.488 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ocnc2C(F)F)c1 ZINC001038703047 1229985264 /nfs/dbraw/zinc/98/52/64/1229985264.db2.gz HXHXPMYXAYEKKJ-ZDUSSCGKSA-N 1 2 346.337 2.488 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccnc(C3CC3)n2)cc1 ZINC001038760834 1230030044 /nfs/dbraw/zinc/03/00/44/1230030044.db2.gz RBNBXUCUXXHXOO-KRWDZBQOSA-N 1 2 347.422 2.230 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccnc(C3CC3)n2)cc1 ZINC001038760834 1230030046 /nfs/dbraw/zinc/03/00/46/1230030046.db2.gz RBNBXUCUXXHXOO-KRWDZBQOSA-N 1 2 347.422 2.230 20 30 EEEDLO CCc1nc(C)c(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)o1 ZINC001038890345 1230138470 /nfs/dbraw/zinc/13/84/70/1230138470.db2.gz JADCBBBPMHXMHH-INIZCTEOSA-N 1 2 338.411 2.421 20 30 EEEDLO CCc1nc(C)c(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)o1 ZINC001038890345 1230138475 /nfs/dbraw/zinc/13/84/75/1230138475.db2.gz JADCBBBPMHXMHH-INIZCTEOSA-N 1 2 338.411 2.421 20 30 EEEDLO CCc1onc(C)c1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001039004125 1230227725 /nfs/dbraw/zinc/22/77/25/1230227725.db2.gz VDYPYMWVMGDNLO-INIZCTEOSA-N 1 2 338.411 2.421 20 30 EEEDLO CCc1onc(C)c1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001039004125 1230227729 /nfs/dbraw/zinc/22/77/29/1230227729.db2.gz VDYPYMWVMGDNLO-INIZCTEOSA-N 1 2 338.411 2.421 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H](CNc3cc[nH+]c(C)n3)[C@H](C)C2)nc1 ZINC001040425710 1231225006 /nfs/dbraw/zinc/22/50/06/1231225006.db2.gz WAATUQUSQIANTK-RHSMWYFYSA-N 1 2 349.438 2.372 20 30 EEEDLO CC(C)c1nsc(C[N@@H+]2CC[C@@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC001041136432 1231449583 /nfs/dbraw/zinc/44/95/83/1231449583.db2.gz KPWXEWFMUWSVGC-SUMWQHHRSA-N 1 2 347.488 2.246 20 30 EEEDLO CC(C)c1nsc(C[N@H+]2CC[C@@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC001041136432 1231449585 /nfs/dbraw/zinc/44/95/85/1231449585.db2.gz KPWXEWFMUWSVGC-SUMWQHHRSA-N 1 2 347.488 2.246 20 30 EEEDLO Cc1nc(N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2cc(C#N)c[nH]2)C3)cc[nH+]1 ZINC001054816721 1249138988 /nfs/dbraw/zinc/13/89/88/1249138988.db2.gz IMWUMXCIABKOII-CFVMTHIKSA-N 1 2 336.399 2.090 20 30 EEEDLO C=C(Cl)CN1CC[C@@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001041791941 1231697288 /nfs/dbraw/zinc/69/72/88/1231697288.db2.gz STVSTYVLZWZKLD-GOSISDBHSA-N 1 2 348.878 2.438 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)n1 ZINC001042057051 1231858887 /nfs/dbraw/zinc/85/88/87/1231858887.db2.gz FLWAYVUGBMYSMS-IEBWSBKVSA-N 1 2 340.471 2.300 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)n1 ZINC001042057051 1231858889 /nfs/dbraw/zinc/85/88/89/1231858889.db2.gz FLWAYVUGBMYSMS-IEBWSBKVSA-N 1 2 340.471 2.300 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nc(CC)no4)[C@@H]3C2)C1 ZINC001042223995 1231966148 /nfs/dbraw/zinc/96/61/48/1231966148.db2.gz IGEBIOBLLHOODV-HUUCEWRRSA-N 1 2 344.459 2.411 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4nc(CC)no4)[C@@H]3C2)C1 ZINC001042223995 1231966150 /nfs/dbraw/zinc/96/61/50/1231966150.db2.gz IGEBIOBLLHOODV-HUUCEWRRSA-N 1 2 344.459 2.411 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001043478087 1232448835 /nfs/dbraw/zinc/44/88/35/1232448835.db2.gz BSOBKJBVBWONQK-DFHBCGBQSA-N 1 2 342.447 2.224 20 30 EEEDLO CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CN(Cc2ccc(C#N)cc2)C1 ZINC001043839501 1232599139 /nfs/dbraw/zinc/59/91/39/1232599139.db2.gz PHYZBJZBAAYJON-KRWDZBQOSA-N 1 2 349.438 2.044 20 30 EEEDLO C#CCOc1ccc(C(=O)N(C)C2C[NH+](C[C@@H]3CC[C@@H](C)O3)C2)cc1 ZINC001044020021 1232673624 /nfs/dbraw/zinc/67/36/24/1232673624.db2.gz KTCTUUWSISGJEZ-BEFAXECRSA-N 1 2 342.439 2.022 20 30 EEEDLO C#CCOc1ccc(C(=O)N(C)C2C[NH+](CCOC3CCC3)C2)cc1 ZINC001044019884 1232673929 /nfs/dbraw/zinc/67/39/29/1232673929.db2.gz JKSFIOMKPMKGDK-UHFFFAOYSA-N 1 2 342.439 2.024 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2nocc2C)CC1 ZINC001045614394 1233859030 /nfs/dbraw/zinc/85/90/30/1233859030.db2.gz IRBWATHBRIOYJX-UHFFFAOYSA-N 1 2 342.237 2.476 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnon1 ZINC001045787506 1233973488 /nfs/dbraw/zinc/97/34/88/1233973488.db2.gz QRYIJEOYJQPIOV-KGLIPLIRSA-N 1 2 338.839 2.414 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnon1 ZINC001045787506 1233973492 /nfs/dbraw/zinc/97/34/92/1233973492.db2.gz QRYIJEOYJQPIOV-KGLIPLIRSA-N 1 2 338.839 2.414 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC001046430067 1234793166 /nfs/dbraw/zinc/79/31/66/1234793166.db2.gz WWTNGCWSOGOQKX-KRWDZBQOSA-N 1 2 346.818 2.282 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC001046430067 1234793169 /nfs/dbraw/zinc/79/31/69/1234793169.db2.gz WWTNGCWSOGOQKX-KRWDZBQOSA-N 1 2 346.818 2.282 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@H](C)c3ncccn3)C2)cc1 ZINC001046533500 1234914796 /nfs/dbraw/zinc/91/47/96/1234914796.db2.gz OLWZRNXLJUQLSF-FOIQADDNSA-N 1 2 334.423 2.413 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@H](C)c3ncccn3)C2)cc1 ZINC001046533500 1234914800 /nfs/dbraw/zinc/91/48/00/1234914800.db2.gz OLWZRNXLJUQLSF-FOIQADDNSA-N 1 2 334.423 2.413 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@@H+]([C@H](C)c3ncc(C)o3)C2)c1 ZINC001046605634 1234987981 /nfs/dbraw/zinc/98/79/81/1234987981.db2.gz WDIGALZTFCVJKJ-AUUYWEPGSA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@H+]([C@H](C)c3ncc(C)o3)C2)c1 ZINC001046605634 1234987983 /nfs/dbraw/zinc/98/79/83/1234987983.db2.gz WDIGALZTFCVJKJ-AUUYWEPGSA-N 1 2 338.411 2.315 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001046794287 1235193187 /nfs/dbraw/zinc/19/31/87/1235193187.db2.gz QDLOZIFVSWJGLQ-KRWDZBQOSA-N 1 2 346.818 2.282 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001046794287 1235193189 /nfs/dbraw/zinc/19/31/89/1235193189.db2.gz QDLOZIFVSWJGLQ-KRWDZBQOSA-N 1 2 346.818 2.282 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c(C)cnn2C)C1 ZINC001046962946 1235363739 /nfs/dbraw/zinc/36/37/39/1235363739.db2.gz CNZQGQPVBUNDCT-LBPRGKRZSA-N 1 2 346.809 2.168 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c(C)cnn2C)C1 ZINC001046962946 1235363740 /nfs/dbraw/zinc/36/37/40/1235363740.db2.gz CNZQGQPVBUNDCT-LBPRGKRZSA-N 1 2 346.809 2.168 20 30 EEEDLO Cc1[nH]c(/C=C/C(=O)c2cccc(OCC(=O)N(C)C)c2)[nH+]c1C ZINC000901464931 1235837107 /nfs/dbraw/zinc/83/71/07/1235837107.db2.gz QGULUNSOFSJAAR-CMDGGOBGSA-N 1 2 327.384 2.390 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1)C2 ZINC001047559850 1236203381 /nfs/dbraw/zinc/20/33/81/1236203381.db2.gz GWFOUYRWIJBZJG-ULQDDVLXSA-N 1 2 344.459 2.125 20 30 EEEDLO CCC(C)(CC)C(=O)NCC[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC001096285637 1237099487 /nfs/dbraw/zinc/09/94/87/1237099487.db2.gz YEKJJWLIMUCVLX-UHFFFAOYSA-N 1 2 343.475 2.018 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)c2ccncc2)CC1 ZINC001000371808 1240220555 /nfs/dbraw/zinc/22/05/55/1240220555.db2.gz JPEFWMKREZBUHU-UHFFFAOYSA-N 1 2 336.233 2.352 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)c2ccncc2)CC1 ZINC001000371808 1240220562 /nfs/dbraw/zinc/22/05/62/1240220562.db2.gz JPEFWMKREZBUHU-UHFFFAOYSA-N 1 2 336.233 2.352 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1nc2c(o1)CCCC2 ZINC001049371280 1240705608 /nfs/dbraw/zinc/70/56/08/1240705608.db2.gz FGTWAMWQWWRCOI-BMFZPTHFSA-N 1 2 342.443 2.278 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1nc2c(o1)CCCC2 ZINC001049371280 1240705611 /nfs/dbraw/zinc/70/56/11/1240705611.db2.gz FGTWAMWQWWRCOI-BMFZPTHFSA-N 1 2 342.443 2.278 20 30 EEEDLO Cc1ncc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC#Cc2ccccc2)[nH]1 ZINC001049376717 1240722618 /nfs/dbraw/zinc/72/26/18/1240722618.db2.gz MBMAVTZTDQMETL-UXHICEINSA-N 1 2 348.450 2.449 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ccnn2CC(F)F)CC1 ZINC001000681330 1240723534 /nfs/dbraw/zinc/72/35/34/1240723534.db2.gz AVMMTFYQINYBSB-UHFFFAOYSA-N 1 2 344.793 2.263 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ccnn2CC(F)F)CC1 ZINC001000681330 1240723538 /nfs/dbraw/zinc/72/35/38/1240723538.db2.gz AVMMTFYQINYBSB-UHFFFAOYSA-N 1 2 344.793 2.263 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ncc(C2CC2)o1 ZINC001049380343 1240738128 /nfs/dbraw/zinc/73/81/28/1240738128.db2.gz DFHVAXDMRKSSGK-SNPRPXQTSA-N 1 2 328.416 2.277 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ncc(C2CC2)o1 ZINC001049380343 1240738138 /nfs/dbraw/zinc/73/81/38/1240738138.db2.gz DFHVAXDMRKSSGK-SNPRPXQTSA-N 1 2 328.416 2.277 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cc3cccn3cn2)CC1 ZINC001000843400 1241026963 /nfs/dbraw/zinc/02/69/63/1241026963.db2.gz XIOAYIBZTWOBQK-UHFFFAOYSA-N 1 2 330.819 2.449 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cc3cccn3cn2)CC1 ZINC001000843400 1241026969 /nfs/dbraw/zinc/02/69/69/1241026969.db2.gz XIOAYIBZTWOBQK-UHFFFAOYSA-N 1 2 330.819 2.449 20 30 EEEDLO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC001049518358 1241211689 /nfs/dbraw/zinc/21/16/89/1241211689.db2.gz MYQDMNPWEVCOIQ-ROUUACIJSA-N 1 2 339.443 2.280 20 30 EEEDLO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC001049518358 1241211699 /nfs/dbraw/zinc/21/16/99/1241211699.db2.gz MYQDMNPWEVCOIQ-ROUUACIJSA-N 1 2 339.443 2.280 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2CCCc3nn(C)cc32)CC1 ZINC001001088321 1241612254 /nfs/dbraw/zinc/61/22/54/1241612254.db2.gz UVANQUPWMFGVII-HNNXBMFYSA-N 1 2 348.878 2.341 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCCc3nn(C)cc32)CC1 ZINC001001088321 1241612266 /nfs/dbraw/zinc/61/22/66/1241612266.db2.gz UVANQUPWMFGVII-HNNXBMFYSA-N 1 2 348.878 2.341 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ncnn1CC ZINC001049632837 1241711768 /nfs/dbraw/zinc/71/17/68/1241711768.db2.gz BWSZVZZITIAXEX-JKSUJKDBSA-N 1 2 345.491 2.466 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ncnn1CC ZINC001049632837 1241711774 /nfs/dbraw/zinc/71/17/74/1241711774.db2.gz BWSZVZZITIAXEX-JKSUJKDBSA-N 1 2 345.491 2.466 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1coc(COC)n1 ZINC001049827361 1242330562 /nfs/dbraw/zinc/33/05/62/1242330562.db2.gz LFIMHBUCYWWZIL-KBPBESRZSA-N 1 2 339.823 2.252 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1coc(COC)n1 ZINC001049827361 1242330574 /nfs/dbraw/zinc/33/05/74/1242330574.db2.gz LFIMHBUCYWWZIL-KBPBESRZSA-N 1 2 339.823 2.252 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC001073341483 1242363024 /nfs/dbraw/zinc/36/30/24/1242363024.db2.gz ILCIUGCWDDWGFQ-FMKPAKJESA-N 1 2 344.459 2.223 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC001073341483 1242363035 /nfs/dbraw/zinc/36/30/35/1242363035.db2.gz ILCIUGCWDDWGFQ-FMKPAKJESA-N 1 2 344.459 2.223 20 30 EEEDLO C=CCCC(=O)N1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001073403414 1242435889 /nfs/dbraw/zinc/43/58/89/1242435889.db2.gz RFQPSLOWPWZOQP-HOCLYGCPSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCCC(=O)N1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001073403414 1242435893 /nfs/dbraw/zinc/43/58/93/1242435893.db2.gz RFQPSLOWPWZOQP-HOCLYGCPSA-N 1 2 346.475 2.298 20 30 EEEDLO Cc1cc(N[C@@H](CNC(=O)CSCC#N)C2CC2)nc(C(C)C)[nH+]1 ZINC001096582834 1242485747 /nfs/dbraw/zinc/48/57/47/1242485747.db2.gz CAVJPOWBLCXWRT-AWEZNQCLSA-N 1 2 347.488 2.472 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCCO1 ZINC001049914901 1242687238 /nfs/dbraw/zinc/68/72/38/1242687238.db2.gz SCERBWVPFLTHPF-HZSPNIEDSA-N 1 2 343.265 2.139 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCCO1 ZINC001049914901 1242687224 /nfs/dbraw/zinc/68/72/24/1242687224.db2.gz SCERBWVPFLTHPF-HZSPNIEDSA-N 1 2 343.265 2.139 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c3cccnc23)C1 ZINC001073854094 1242750553 /nfs/dbraw/zinc/75/05/53/1242750553.db2.gz WHMUQUKDMSCKRE-ZDUSSCGKSA-N 1 2 348.834 2.136 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c3cccnc23)C1 ZINC001073854094 1242750559 /nfs/dbraw/zinc/75/05/59/1242750559.db2.gz WHMUQUKDMSCKRE-ZDUSSCGKSA-N 1 2 348.834 2.136 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cnn(C(C)C)c2)C1 ZINC001073853792 1242750882 /nfs/dbraw/zinc/75/08/82/1242750882.db2.gz ORRKTXZSNVJHIE-OAHLLOKOSA-N 1 2 340.855 2.037 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cnn(C(C)C)c2)C1 ZINC001073853792 1242750892 /nfs/dbraw/zinc/75/08/92/1242750892.db2.gz ORRKTXZSNVJHIE-OAHLLOKOSA-N 1 2 340.855 2.037 20 30 EEEDLO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(-c4ccn(C)c4)[nH]n3)[C@@H]2C1 ZINC001050063241 1242757464 /nfs/dbraw/zinc/75/74/64/1242757464.db2.gz UCHCFAOYJDTPOW-MAUKXSAKSA-N 1 2 339.443 2.138 20 30 EEEDLO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(-c4ccn(C)c4)[nH]n3)[C@@H]2C1 ZINC001050063241 1242757473 /nfs/dbraw/zinc/75/74/73/1242757473.db2.gz UCHCFAOYJDTPOW-MAUKXSAKSA-N 1 2 339.443 2.138 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cnco3)[C@@H]2C1 ZINC001050106999 1242888930 /nfs/dbraw/zinc/88/89/30/1242888930.db2.gz SDMIJJWYJNQEQW-NWDGAFQWSA-N 1 2 340.221 2.120 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cnco3)[C@@H]2C1 ZINC001050106999 1242888939 /nfs/dbraw/zinc/88/89/39/1242888939.db2.gz SDMIJJWYJNQEQW-NWDGAFQWSA-N 1 2 340.221 2.120 20 30 EEEDLO C=CCCC(=O)N1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](C)C1 ZINC001074036876 1242915639 /nfs/dbraw/zinc/91/56/39/1242915639.db2.gz ROEUIULDISQYOM-HOCLYGCPSA-N 1 2 346.475 2.246 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2C[N@H+](Cc3cnc(Cl)s3)C[C@H]21 ZINC001049998142 1243001887 /nfs/dbraw/zinc/00/18/87/1243001887.db2.gz CJTKOKMKIAYXSC-NTZNESFSSA-N 1 2 338.864 2.379 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](Cc3cnc(Cl)s3)C[C@H]21 ZINC001049998142 1243001900 /nfs/dbraw/zinc/00/19/00/1243001900.db2.gz CJTKOKMKIAYXSC-NTZNESFSSA-N 1 2 338.864 2.379 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001096729444 1243174787 /nfs/dbraw/zinc/17/47/87/1243174787.db2.gz ZSESAJFQRQPMGX-CZUORRHYSA-N 1 2 342.443 2.007 20 30 EEEDLO C[C@@H](CC(=O)NC[C@@H](Nc1ncccc1C#N)C1CC1)n1cc[nH+]c1 ZINC001096820484 1243329243 /nfs/dbraw/zinc/32/92/43/1243329243.db2.gz TYGXFOVTVZZVFS-XJKSGUPXSA-N 1 2 338.415 2.108 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)[nH]1 ZINC001096887759 1243421386 /nfs/dbraw/zinc/42/13/86/1243421386.db2.gz SVYRCIGDAFTXAW-XFJVYGCCSA-N 1 2 341.440 2.187 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)[nH]1 ZINC001096887759 1243421390 /nfs/dbraw/zinc/42/13/90/1243421390.db2.gz SVYRCIGDAFTXAW-XFJVYGCCSA-N 1 2 341.440 2.187 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097042253 1243611744 /nfs/dbraw/zinc/61/17/44/1243611744.db2.gz FDBCNQAZGXOAJD-BPLDGKMQSA-N 1 2 344.459 2.314 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC001057441090 1243782561 /nfs/dbraw/zinc/78/25/61/1243782561.db2.gz WHUVANASMPQECT-CVEARBPZSA-N 1 2 330.432 2.169 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001097218072 1243840511 /nfs/dbraw/zinc/84/05/11/1243840511.db2.gz GYIWASDYAIDFRG-KFWWJZLASA-N 1 2 330.432 2.006 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001097222253 1243846519 /nfs/dbraw/zinc/84/65/19/1243846519.db2.gz NWOZLMPDCLGCOM-PHIMTYICSA-N 1 2 348.838 2.201 20 30 EEEDLO CC#CC[NH+]1CCC2(CN(C(=O)c3cccc(-c4nnc[nH]4)c3)C2)CC1 ZINC001050614293 1243960083 /nfs/dbraw/zinc/96/00/83/1243960083.db2.gz VWFFRMSCQZJZKH-UHFFFAOYSA-N 1 2 349.438 2.033 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097331920 1244007230 /nfs/dbraw/zinc/00/72/30/1244007230.db2.gz NOBDJCMGPVCEHX-LPHOPBHVSA-N 1 2 346.475 2.346 20 30 EEEDLO C=CCCOCC(=O)NC[C@H]1CCCCN1c1nc(C)[nH+]c(C)c1C ZINC001097428617 1244174807 /nfs/dbraw/zinc/17/48/07/1244174807.db2.gz CSFIOACDHRSDEY-QGZVFWFLSA-N 1 2 346.475 2.470 20 30 EEEDLO C=CCCOCC(=O)N1C[C@@H]2CC[C@H](Nc3cc[nH+]c(C)n3)[C@H]2C1 ZINC001097601728 1244413262 /nfs/dbraw/zinc/41/32/62/1244413262.db2.gz OGXMPYQOYTUMIZ-JYJNAYRXSA-N 1 2 330.432 2.027 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cnoc1)C2 ZINC001097699517 1244517057 /nfs/dbraw/zinc/51/70/57/1244517057.db2.gz ZKTWFIJDTLBZMS-KURKYZTESA-N 1 2 336.395 2.010 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cnoc1)C2 ZINC001097699517 1244517062 /nfs/dbraw/zinc/51/70/62/1244517062.db2.gz ZKTWFIJDTLBZMS-KURKYZTESA-N 1 2 336.395 2.010 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccnc1C(F)F ZINC001051015092 1244851884 /nfs/dbraw/zinc/85/18/84/1244851884.db2.gz FVKIHCFLDRGWPW-LBPRGKRZSA-N 1 2 325.359 2.026 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccnc1C(F)F ZINC001051015092 1244851892 /nfs/dbraw/zinc/85/18/92/1244851892.db2.gz FVKIHCFLDRGWPW-LBPRGKRZSA-N 1 2 325.359 2.026 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cn1 ZINC001051055446 1244919570 /nfs/dbraw/zinc/91/95/70/1244919570.db2.gz PFRVBKIYTBJFHE-ZDUSSCGKSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cn1 ZINC001051055446 1244919575 /nfs/dbraw/zinc/91/95/75/1244919575.db2.gz PFRVBKIYTBJFHE-ZDUSSCGKSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(F)c(F)cc1F ZINC001051089164 1244964304 /nfs/dbraw/zinc/96/43/04/1244964304.db2.gz JHPFVCLBTAYOFF-LLVKDONJSA-N 1 2 328.334 2.111 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(F)c(F)cc1F ZINC001051089164 1244964313 /nfs/dbraw/zinc/96/43/13/1244964313.db2.gz JHPFVCLBTAYOFF-LLVKDONJSA-N 1 2 328.334 2.111 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1noc2c1CCCCC2 ZINC001051137731 1245031202 /nfs/dbraw/zinc/03/12/02/1245031202.db2.gz PLDFLWCOXRCOEQ-OAHLLOKOSA-N 1 2 347.459 2.340 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1noc2c1CCCCC2 ZINC001051137731 1245031211 /nfs/dbraw/zinc/03/12/11/1245031211.db2.gz PLDFLWCOXRCOEQ-OAHLLOKOSA-N 1 2 347.459 2.340 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1csc(C(C)(C)C)n1 ZINC001051164565 1245070319 /nfs/dbraw/zinc/07/03/19/1245070319.db2.gz UWJJFADORLZCNR-CYBMUJFWSA-N 1 2 337.489 2.447 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1csc(C(C)(C)C)n1 ZINC001051164565 1245070323 /nfs/dbraw/zinc/07/03/23/1245070323.db2.gz UWJJFADORLZCNR-CYBMUJFWSA-N 1 2 337.489 2.447 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ncoc1C(C)(C)C ZINC001051203811 1245385422 /nfs/dbraw/zinc/38/54/22/1245385422.db2.gz QTLUWDYCHMHJGE-CQSZACIVSA-N 1 2 335.448 2.369 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ncoc1C(C)(C)C ZINC001051203811 1245385425 /nfs/dbraw/zinc/38/54/25/1245385425.db2.gz QTLUWDYCHMHJGE-CQSZACIVSA-N 1 2 335.448 2.369 20 30 EEEDLO CCCN(CCNC(=O)c1ccc(C#N)[nH]1)c1nc(C)[nH+]c(C)c1C ZINC001101118919 1245423483 /nfs/dbraw/zinc/42/34/83/1245423483.db2.gz LSXJJTORMLQAGC-UHFFFAOYSA-N 1 2 340.431 2.248 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001051322854 1245543416 /nfs/dbraw/zinc/54/34/16/1245543416.db2.gz IWPSYNMATXYTRJ-HUUCEWRRSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001051671746 1246008414 /nfs/dbraw/zinc/00/84/14/1246008414.db2.gz MAQLGEUJALPVHC-GOEBONIOSA-N 1 2 344.459 2.074 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H](C)C(F)(F)F)c1nccn12 ZINC001101640717 1246072982 /nfs/dbraw/zinc/07/29/82/1246072982.db2.gz DTGANSKRYCPHGA-NEPJUHHUSA-N 1 2 342.365 2.230 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc(C)cc(OC)c1C)CCO2 ZINC001053328749 1246189233 /nfs/dbraw/zinc/18/92/33/1246189233.db2.gz GJKKKWSSVCLVPB-UHFFFAOYSA-N 1 2 344.455 2.415 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1ccc(CC)cc1)CCO2 ZINC001053451223 1246344352 /nfs/dbraw/zinc/34/43/52/1246344352.db2.gz BBQVKNCIRXBTSD-UHFFFAOYSA-N 1 2 328.456 2.281 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C=C3CCCCC3)C2)CC1 ZINC001051991673 1246351466 /nfs/dbraw/zinc/35/14/66/1246351466.db2.gz KQNHTEMNHXVMQJ-LJQANCHMSA-N 1 2 329.488 2.119 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc3ccncc3c1)CCO2 ZINC001053498610 1246400505 /nfs/dbraw/zinc/40/05/05/1246400505.db2.gz GQYOSTXOCNMGEV-UHFFFAOYSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc4c(o3)CCCC4)C2)CC1 ZINC001052035153 1246403931 /nfs/dbraw/zinc/40/39/31/1246403931.db2.gz BUBDZDZHKRTNGK-KRWDZBQOSA-N 1 2 343.471 2.177 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)CC1 ZINC001052054112 1246425275 /nfs/dbraw/zinc/42/52/75/1246425275.db2.gz YOGTVZOQPDURCC-RCCFBDPRSA-N 1 2 333.520 2.463 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1OCc3ccccc31)CCO2 ZINC001053520826 1246426163 /nfs/dbraw/zinc/42/61/63/1246426163.db2.gz MSLPGBSYQPZGLJ-SFHVURJKSA-N 1 2 342.439 2.137 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C)c(Cl)c3)C2)CC1 ZINC001052074597 1246449498 /nfs/dbraw/zinc/44/94/98/1246449498.db2.gz HTCMBORIIRSERO-QGZVFWFLSA-N 1 2 345.874 2.114 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(C)cccc3C)C2)CC1 ZINC001052087606 1246466350 /nfs/dbraw/zinc/46/63/50/1246466350.db2.gz ZVGHHGSWEZWVKN-IBGZPJMESA-N 1 2 339.483 2.159 20 30 EEEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4ccccc4c3)C2)CC1 ZINC001052112767 1246495335 /nfs/dbraw/zinc/49/53/35/1246495335.db2.gz CZMASEZADMIQLN-FQEVSTJZSA-N 1 2 348.450 2.195 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(F)cccc1OC)O2 ZINC001053600944 1246515980 /nfs/dbraw/zinc/51/59/80/1246515980.db2.gz WPKUWYBUIWXICF-AWEZNQCLSA-N 1 2 348.418 2.374 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc3ncccc31)O2 ZINC001053635975 1246568219 /nfs/dbraw/zinc/56/82/19/1246568219.db2.gz RLTBIPHQYUCSLH-OAHLLOKOSA-N 1 2 337.423 2.384 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3c(c1)[C@@H](C)CO3)O2 ZINC001053652396 1246593348 /nfs/dbraw/zinc/59/33/48/1246593348.db2.gz VUWRJDFZIJUPMY-HOCLYGCPSA-N 1 2 342.439 2.332 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001052194649 1246624617 /nfs/dbraw/zinc/62/46/17/1246624617.db2.gz QESSUOMIXOQSDD-GJZGRUSLSA-N 1 2 340.427 2.125 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1coc(C3CC3)n1)O2 ZINC001053674507 1246627180 /nfs/dbraw/zinc/62/71/80/1246627180.db2.gz PWHSXPGLKPAHAX-CQSZACIVSA-N 1 2 331.416 2.091 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1oc(CCC)nc1C)O2 ZINC001053686888 1246649214 /nfs/dbraw/zinc/64/92/14/1246649214.db2.gz BYTZSORSCPRUOZ-HNNXBMFYSA-N 1 2 347.459 2.475 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(N(C)C)cc1)O2 ZINC001053693840 1246665083 /nfs/dbraw/zinc/66/50/83/1246665083.db2.gz JZJPFERJJSLCLB-GOSISDBHSA-N 1 2 343.471 2.292 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1csc(C3CC3)n1)O2 ZINC001053703757 1246684884 /nfs/dbraw/zinc/68/48/84/1246684884.db2.gz MLTIVVHBNBLZBJ-ZDUSSCGKSA-N 1 2 333.457 2.170 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CCC(F)(F)C1)CO2 ZINC001053823927 1246849361 /nfs/dbraw/zinc/84/93/61/1246849361.db2.gz TUNWZOZWZWXIOJ-UONOGXRCSA-N 1 2 328.403 2.348 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3cc(C)cn3c1)CO2 ZINC001053824838 1246850980 /nfs/dbraw/zinc/85/09/80/1246850980.db2.gz GKBCWTCGJBXHHS-KRWDZBQOSA-N 1 2 339.439 2.397 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C(C)C)nc1)CO2 ZINC001053829921 1246862734 /nfs/dbraw/zinc/86/27/34/1246862734.db2.gz MRYKZFUUSKRGPI-MRXNPFEDSA-N 1 2 329.444 2.354 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CCC(C)(C)CO1)CO2 ZINC001053873943 1246951523 /nfs/dbraw/zinc/95/15/23/1246951523.db2.gz NVWVPPFPQKDAEN-HOTGVXAUSA-N 1 2 336.476 2.117 20 30 EEEDLO C[C@H](c1csnn1)[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052318835 1246995645 /nfs/dbraw/zinc/99/56/45/1246995645.db2.gz MBPFUYCAKWXIRE-YPMHNXCESA-N 1 2 344.444 2.083 20 30 EEEDLO C[C@H](c1csnn1)[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052318835 1246995653 /nfs/dbraw/zinc/99/56/53/1246995653.db2.gz MBPFUYCAKWXIRE-YPMHNXCESA-N 1 2 344.444 2.083 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1cc(F)ccc1F)CO2 ZINC001053910054 1247001250 /nfs/dbraw/zinc/00/12/50/1247001250.db2.gz SBTLQULDNZWBBJ-OAHLLOKOSA-N 1 2 336.382 2.043 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(F)ccc(C)c1F)CO2 ZINC001053915088 1247008517 /nfs/dbraw/zinc/00/85/17/1247008517.db2.gz CFEXUJVLQXCTDK-CYBMUJFWSA-N 1 2 336.382 2.422 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3[nH]ccc3s1)CO2 ZINC001053995212 1247125479 /nfs/dbraw/zinc/12/54/79/1247125479.db2.gz VNUIGRFRMJBYBJ-LBPRGKRZSA-N 1 2 331.441 2.379 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1OCc3ccccc31)CO2 ZINC001053996910 1247126437 /nfs/dbraw/zinc/12/64/37/1247126437.db2.gz RMQKVKCSMIWDBH-AEFFLSMTSA-N 1 2 342.439 2.184 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(OCC)cc1)CO2 ZINC001053997790 1247129129 /nfs/dbraw/zinc/12/91/29/1247129129.db2.gz XUNXOAHUHMTIAX-INIZCTEOSA-N 1 2 330.428 2.235 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1csc3c1CCCC3)CO2 ZINC001054001480 1247134299 /nfs/dbraw/zinc/13/42/99/1247134299.db2.gz ZUWHTJMKSGKCDO-CQSZACIVSA-N 1 2 344.480 2.223 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1CC(c3ccccc3)C1)CO2 ZINC001054022022 1247163263 /nfs/dbraw/zinc/16/32/63/1247163263.db2.gz ZZHBCRAYDBZSBY-ACBHZAAOSA-N 1 2 338.451 2.163 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccnc(F)c1 ZINC001054035757 1247190366 /nfs/dbraw/zinc/19/03/66/1247190366.db2.gz UIBXBSONWRSZFJ-SFHVURJKSA-N 1 2 337.398 2.401 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccnc(F)c1 ZINC001054035757 1247190371 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C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cnn2ccccc12 ZINC001054056858 1247254985 /nfs/dbraw/zinc/25/49/85/1247254985.db2.gz UTTFYYTXJCRMDG-SFHVURJKSA-N 1 2 344.418 2.124 20 30 EEEDLO Cc1nc(N[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)ccc1C#N ZINC001057771319 1247446513 /nfs/dbraw/zinc/44/65/13/1247446513.db2.gz ASJYGYAVLWMMKX-MRXNPFEDSA-N 1 2 338.415 2.021 20 30 EEEDLO Cc1nc(N[C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)ccc1C#N ZINC001057771319 1247446521 /nfs/dbraw/zinc/44/65/21/1247446521.db2.gz ASJYGYAVLWMMKX-MRXNPFEDSA-N 1 2 338.415 2.021 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3ncnn3C)C2)C1 ZINC001054174858 1247609548 /nfs/dbraw/zinc/60/95/48/1247609548.db2.gz BMXAFHBKQAJCKE-LJQANCHMSA-N 1 2 345.491 2.232 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@]2(CC[N@H+](Cc3ncnn3C)C2)C1 ZINC001054174858 1247609554 /nfs/dbraw/zinc/60/95/54/1247609554.db2.gz BMXAFHBKQAJCKE-LJQANCHMSA-N 1 2 345.491 2.232 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cccc4nccn43)cc2C1 ZINC001054273931 1247973803 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ZINC001149330309 1315947030 /nfs/dbraw/zinc/94/70/30/1315947030.db2.gz HWWVJYYXPJDGDG-HNNXBMFYSA-N 1 2 337.489 2.433 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2cc(C)n(C)n2)CCCO1 ZINC001150079402 1316148191 /nfs/dbraw/zinc/14/81/91/1316148191.db2.gz SLGSQFUDBQYHIZ-QGZVFWFLSA-N 1 2 348.491 2.038 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)n(C)n2)CCCO1 ZINC001150079402 1316148198 /nfs/dbraw/zinc/14/81/98/1316148198.db2.gz SLGSQFUDBQYHIZ-QGZVFWFLSA-N 1 2 348.491 2.038 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[N@H+](Cc2cnc(C)cn2)CCCO1 ZINC001150372886 1316247522 /nfs/dbraw/zinc/24/75/22/1316247522.db2.gz SPGYEGTWMJAHGB-KRWDZBQOSA-N 1 2 346.475 2.094 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1C[N@@H+](Cc2cnc(C)cn2)CCCO1 ZINC001150372886 1316247524 /nfs/dbraw/zinc/24/75/24/1316247524.db2.gz SPGYEGTWMJAHGB-KRWDZBQOSA-N 1 2 346.475 2.094 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)CCCOC)C1 ZINC001150555184 1316298821 /nfs/dbraw/zinc/29/88/21/1316298821.db2.gz YTNUADKRKVNDEO-UKRRQHHQSA-N 1 2 332.872 2.009 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)CCCOC)C1 ZINC001150555184 1316298825 /nfs/dbraw/zinc/29/88/25/1316298825.db2.gz YTNUADKRKVNDEO-UKRRQHHQSA-N 1 2 332.872 2.009 20 30 EEEDLO C=CC[C@@H](Cc1ccccc1)C(=O)NCC[NH2+]Cc1nncs1 ZINC001151906217 1316606613 /nfs/dbraw/zinc/60/66/13/1316606613.db2.gz BKYHQHFMYCRUIK-HNNXBMFYSA-N 1 2 330.457 2.179 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1csc(C)n1 ZINC001153090343 1316773388 /nfs/dbraw/zinc/77/33/88/1316773388.db2.gz FOVIHCBIJHAIPM-WBMJQRKESA-N 1 2 325.478 2.105 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1csc(C)n1 ZINC001153090343 1316773390 /nfs/dbraw/zinc/77/33/90/1316773390.db2.gz FOVIHCBIJHAIPM-WBMJQRKESA-N 1 2 325.478 2.105 20 30 EEEDLO CC[N@H+](Cc1nnc(-c2ccco2)o1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153214993 1316792528 /nfs/dbraw/zinc/79/25/28/1316792528.db2.gz QRJKKGYJTURPRR-CQSZACIVSA-N 1 2 344.415 2.316 20 30 EEEDLO CC[N@@H+](Cc1nnc(-c2ccco2)o1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153214993 1316792531 /nfs/dbraw/zinc/79/25/31/1316792531.db2.gz QRJKKGYJTURPRR-CQSZACIVSA-N 1 2 344.415 2.316 20 30 EEEDLO C[N@@H+]1CCc2nc(C(=O)N(CC#N)Cc3ccccc3)sc2C1 ZINC001154219317 1316998208 /nfs/dbraw/zinc/99/82/08/1316998208.db2.gz QIKRJVQUVUGDQZ-UHFFFAOYSA-N 1 2 326.425 2.297 20 30 EEEDLO C[N@H+]1CCc2nc(C(=O)N(CC#N)Cc3ccccc3)sc2C1 ZINC001154219317 1316998212 /nfs/dbraw/zinc/99/82/12/1316998212.db2.gz QIKRJVQUVUGDQZ-UHFFFAOYSA-N 1 2 326.425 2.297 20 30 EEEDLO CC[C@H](CC#N)N1Cc2c[nH+]cn2C[C@H](COc2ccccn2)C1 ZINC001255171833 1318310733 /nfs/dbraw/zinc/31/07/33/1318310733.db2.gz CFNRUHWRQSMANI-HZPDHXFCSA-N 1 2 325.416 2.481 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCO1 ZINC001157487102 1318672707 /nfs/dbraw/zinc/67/27/07/1318672707.db2.gz QGJREJKJAIOQEE-KGLIPLIRSA-N 1 2 345.281 2.387 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCO1 ZINC001157487102 1318672722 /nfs/dbraw/zinc/67/27/22/1318672722.db2.gz QGJREJKJAIOQEE-KGLIPLIRSA-N 1 2 345.281 2.387 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC001157946309 1318942371 /nfs/dbraw/zinc/94/23/71/1318942371.db2.gz YLTCZLWBOYQTMA-IAGOWNOFSA-N 1 2 347.459 2.143 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC001157946309 1318942373 /nfs/dbraw/zinc/94/23/73/1318942373.db2.gz YLTCZLWBOYQTMA-IAGOWNOFSA-N 1 2 347.459 2.143 20 30 EEEDLO N#Cc1ccc2cc[nH+]c(N[C@@H](Cc3ccc(O)cc3)C(O)O)c2c1 ZINC001159736804 1319973533 /nfs/dbraw/zinc/97/35/33/1319973533.db2.gz ZBISJWRHDUATGC-KRWDZBQOSA-N 1 2 335.363 2.146 20 30 EEEDLO C#CC[N@H+]1CC=C(CCNC(=O)c2c(C)n[nH]c2C(F)(F)F)CC1 ZINC001160694315 1320237123 /nfs/dbraw/zinc/23/71/23/1320237123.db2.gz KXEQWRFSZGBREH-UHFFFAOYSA-N 1 2 340.349 2.122 20 30 EEEDLO C#CC[N@@H+]1CC=C(CCNC(=O)c2c(C)n[nH]c2C(F)(F)F)CC1 ZINC001160694315 1320237127 /nfs/dbraw/zinc/23/71/27/1320237127.db2.gz KXEQWRFSZGBREH-UHFFFAOYSA-N 1 2 340.349 2.122 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnnn2C)CC1 ZINC001160856250 1320293776 /nfs/dbraw/zinc/29/37/76/1320293776.db2.gz IZCATKGDBLQOGJ-AWEZNQCLSA-N 1 2 346.479 2.012 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnnn2C)CC1 ZINC001160856250 1320293779 /nfs/dbraw/zinc/29/37/79/1320293779.db2.gz IZCATKGDBLQOGJ-AWEZNQCLSA-N 1 2 346.479 2.012 20 30 EEEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2nnc(CC)o2)CC1 ZINC001160888249 1320305011 /nfs/dbraw/zinc/30/50/11/1320305011.db2.gz DJJICKZVJGHCNC-UHFFFAOYSA-N 1 2 332.448 2.483 20 30 EEEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2nnc(CC)o2)CC1 ZINC001160888249 1320305013 /nfs/dbraw/zinc/30/50/13/1320305013.db2.gz DJJICKZVJGHCNC-UHFFFAOYSA-N 1 2 332.448 2.483 20 30 EEEDLO C#CCCCCCC(=O)NCCC1=CC[N@H+](Cc2cnn(C)n2)CC1 ZINC001160915059 1320313055 /nfs/dbraw/zinc/31/30/55/1320313055.db2.gz IQIXBPUEOKDXOV-UHFFFAOYSA-N 1 2 343.475 2.037 20 30 EEEDLO C#CCCCCCC(=O)NCCC1=CC[N@@H+](Cc2cnn(C)n2)CC1 ZINC001160915059 1320313060 /nfs/dbraw/zinc/31/30/60/1320313060.db2.gz IQIXBPUEOKDXOV-UHFFFAOYSA-N 1 2 343.475 2.037 20 30 EEEDLO N#C[C@@H]1C[NH2+]CCN1[C@H](F)Oc1cccc(-c2ccc(Cl)nn2)c1 ZINC001164662345 1321443486 /nfs/dbraw/zinc/44/34/86/1321443486.db2.gz WPHNLODVKKDXGK-WBMJQRKESA-N 1 2 347.781 2.226 20 30 EEEDLO C#CCC1(C(=O)NCCC2(C[NH2+]Cc3noc(CC)n3)CC2)CCC1 ZINC001165401441 1321517262 /nfs/dbraw/zinc/51/72/62/1321517262.db2.gz IQODFMFMNNTMMQ-UHFFFAOYSA-N 1 2 344.459 2.202 20 30 EEEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCC(NC(=O)C(F)(F)F)CC3)c12 ZINC001166894431 1321811409 /nfs/dbraw/zinc/81/14/09/1321811409.db2.gz RMLCNSMLJQRYND-UHFFFAOYSA-N 1 2 337.305 2.082 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)CCOCC1CC1 ZINC001262948283 1322402859 /nfs/dbraw/zinc/40/28/59/1322402859.db2.gz HDEDTLGJCGRSBT-INIZCTEOSA-N 1 2 333.480 2.484 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)CCOCC1CC1 ZINC001262948283 1322402861 /nfs/dbraw/zinc/40/28/61/1322402861.db2.gz HDEDTLGJCGRSBT-INIZCTEOSA-N 1 2 333.480 2.484 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccnc4ccccc43)n2CC)CC1 ZINC001263043608 1322426503 /nfs/dbraw/zinc/42/65/03/1322426503.db2.gz OTXUWJGMJQWEEO-UHFFFAOYSA-N 1 2 346.438 2.268 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2)C1 ZINC001265299330 1323049475 /nfs/dbraw/zinc/04/94/75/1323049475.db2.gz NCJUHOLAIXPOHC-AEFFLSMTSA-N 1 2 341.455 2.398 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2)C1 ZINC001265299330 1323049480 /nfs/dbraw/zinc/04/94/80/1323049480.db2.gz NCJUHOLAIXPOHC-AEFFLSMTSA-N 1 2 341.455 2.398 20 30 EEEDLO C#CCCCC(=O)N1CCC[C@H]([NH2+]Cc2nc(CC(C)C)no2)C1 ZINC001207944425 1324224119 /nfs/dbraw/zinc/22/41/19/1324224119.db2.gz MVENNWOHPPRVHL-HNNXBMFYSA-N 1 2 332.448 2.152 20 30 EEEDLO CC(C)C#CC(=O)N1CCC[C@@H]([NH2+]Cc2nc(CC(C)C)no2)C1 ZINC001207995331 1324253482 /nfs/dbraw/zinc/25/34/82/1324253482.db2.gz FNMCCHKPKXASDS-OAHLLOKOSA-N 1 2 332.448 2.008 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H]([NH2+]Cc2nc(COC)no2)C1 ZINC001208193711 1324353147 /nfs/dbraw/zinc/35/31/47/1324353147.db2.gz JWTMCXHFFWQZHR-OAHLLOKOSA-N 1 2 348.447 2.065 20 30 EEEDLO NS(=O)(=O)c1ccc(N[NH+]=Cc2ccccc2N2CCCC2)cc1 ZINC001317795091 1332411558 /nfs/dbraw/zinc/41/15/58/1332411558.db2.gz MOWVENYWBVOYRR-UHFFFAOYSA-N 1 2 344.440 2.380 20 30 EEEDLO C=C[C@H](COC)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC001324589843 1333717045 /nfs/dbraw/zinc/71/70/45/1333717045.db2.gz ZZRWLBUYRRBJMI-LLVKDONJSA-N 1 2 337.221 2.320 20 30 EEEDLO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c[nH+]cc2C1 ZINC001334725119 1336289154 /nfs/dbraw/zinc/28/91/54/1336289154.db2.gz FDGCKUVHDXBCTQ-OAHLLOKOSA-N 1 2 348.447 2.475 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H](COC)C1 ZINC001338927021 1336933398 /nfs/dbraw/zinc/93/33/98/1336933398.db2.gz KMYYEKPLEQCILA-INIZCTEOSA-N 1 2 333.480 2.313 20 30 EEEDLO C=CC[C@@H]1NC(=O)N(c2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1=O ZINC001339223092 1336977673 /nfs/dbraw/zinc/97/76/73/1336977673.db2.gz OTNZBRZXGYOQHK-CJNGLKHVSA-N 1 2 329.400 2.081 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(F)ccc3C)n2CC)CC1 ZINC001341019664 1337275140 /nfs/dbraw/zinc/27/51/40/1337275140.db2.gz SWYKXSZPZVVCQS-UHFFFAOYSA-N 1 2 327.407 2.168 20 30 EEEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001343958069 1337359477 /nfs/dbraw/zinc/35/94/77/1337359477.db2.gz UNCCISSGQJELDT-ZACQAIPSSA-N 1 2 345.491 2.482 20 30 EEEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001343958069 1337359480 /nfs/dbraw/zinc/35/94/80/1337359480.db2.gz UNCCISSGQJELDT-ZACQAIPSSA-N 1 2 345.491 2.482 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCCC[C@@H](COC)C1 ZINC001356152265 1338801753 /nfs/dbraw/zinc/80/17/53/1338801753.db2.gz AKVBTSBNAVCVSW-OAHLLOKOSA-N 1 2 344.463 2.041 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(C)C)C2)CCCCC1 ZINC001661045284 1354578650 /nfs/dbraw/zinc/57/86/50/1354578650.db2.gz FUXLNZHJCDDELI-INIZCTEOSA-N 1 2 335.492 2.228 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(C)C)C2)CCCCC1 ZINC001661045284 1354578654 /nfs/dbraw/zinc/57/86/54/1354578654.db2.gz FUXLNZHJCDDELI-INIZCTEOSA-N 1 2 335.492 2.228 20 30 EEEDLO Cc1cccc(C)c1OCC[NH+]1CCN(C(=O)C#CC(C)C)CC1 ZINC001112834147 1367741707 /nfs/dbraw/zinc/74/17/07/1367741707.db2.gz DWNUCYRTOPXIAZ-UHFFFAOYSA-N 1 2 328.456 2.486 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3cscn3)C[C@H]21 ZINC001187225627 1368236212 /nfs/dbraw/zinc/23/62/12/1368236212.db2.gz GPQKSMDFTMHYLZ-IJEWVQPXSA-N 1 2 335.473 2.157 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cscn3)C[C@H]21 ZINC001187225627 1368236218 /nfs/dbraw/zinc/23/62/18/1368236218.db2.gz GPQKSMDFTMHYLZ-IJEWVQPXSA-N 1 2 335.473 2.157 20 30 EEEDLO C=CCCC(=O)N1CCC[N@H+](CC(=O)N2CCCCCCC2)CC1 ZINC001195233819 1368508682 /nfs/dbraw/zinc/50/86/82/1368508682.db2.gz ZVUUWBVVTNRLHF-UHFFFAOYSA-N 1 2 335.492 2.280 20 30 EEEDLO C=CCCC(=O)N1CCC[N@@H+](CC(=O)N2CCCCCCC2)CC1 ZINC001195233819 1368508684 /nfs/dbraw/zinc/50/86/84/1368508684.db2.gz ZVUUWBVVTNRLHF-UHFFFAOYSA-N 1 2 335.492 2.280 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001110556975 1368758831 /nfs/dbraw/zinc/75/88/31/1368758831.db2.gz XSOSTQVDLDIEPI-AWEZNQCLSA-N 1 2 346.479 2.251 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(=O)NC(C)C)[C@H](C)COC ZINC000852356472 1369264265 /nfs/dbraw/zinc/26/42/65/1369264265.db2.gz FRSICHXWNYAOMH-OAHLLOKOSA-N 1 2 347.459 2.286 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(=O)NC(C)C)[C@H](C)COC ZINC000852356472 1369264267 /nfs/dbraw/zinc/26/42/67/1369264267.db2.gz FRSICHXWNYAOMH-OAHLLOKOSA-N 1 2 347.459 2.286 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001070791127 1370364217 /nfs/dbraw/zinc/36/42/17/1370364217.db2.gz CPYFSVUOYOLJSE-OAHLLOKOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001070791127 1370364221 /nfs/dbraw/zinc/36/42/21/1370364221.db2.gz CPYFSVUOYOLJSE-OAHLLOKOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2nnc3ccccc3n2)CC[C@H]1C ZINC001071685720 1370555056 /nfs/dbraw/zinc/55/50/56/1370555056.db2.gz HERCNIJHPCSSOC-OLZOCXBDSA-N 1 2 345.834 2.360 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2nnc3ccccc3n2)CC[C@H]1C ZINC001071685720 1370555061 /nfs/dbraw/zinc/55/50/61/1370555061.db2.gz HERCNIJHPCSSOC-OLZOCXBDSA-N 1 2 345.834 2.360 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)c3cscn3)C2)C1 ZINC001072530407 1370728858 /nfs/dbraw/zinc/72/88/58/1370728858.db2.gz PHOORZCYEMZNKG-UHFFFAOYSA-N 1 2 342.262 2.200 20 30 EEEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)c3cscn3)C2)C1 ZINC001072530407 1370728863 /nfs/dbraw/zinc/72/88/63/1370728863.db2.gz PHOORZCYEMZNKG-UHFFFAOYSA-N 1 2 342.262 2.200 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001104163642 1371145041 /nfs/dbraw/zinc/14/50/41/1371145041.db2.gz KYDBJVURPDXFBJ-STQMWFEESA-N 1 2 330.436 2.130 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001104163640 1371145675 /nfs/dbraw/zinc/14/56/75/1371145675.db2.gz KYDBJVURPDXFBJ-QWHCGFSZSA-N 1 2 330.436 2.130 20 30 EEEDLO C#Cc1cncc(C(=O)NCC[C@@H](Nc2cc[nH+]c(C)n2)C(C)C)c1 ZINC001115358226 1371580548 /nfs/dbraw/zinc/58/05/48/1371580548.db2.gz DTXYWWRGVYWXII-QGZVFWFLSA-N 1 2 337.427 2.418 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)CC1CCOCC1 ZINC001341902631 1372936960 /nfs/dbraw/zinc/93/69/60/1372936960.db2.gz JKFPUZSARGOEJR-MRXNPFEDSA-N 1 2 333.480 2.484 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)CC1CCOCC1 ZINC001341902631 1372936967 /nfs/dbraw/zinc/93/69/67/1372936967.db2.gz JKFPUZSARGOEJR-MRXNPFEDSA-N 1 2 333.480 2.484 20 30 EEEDLO Cc1ncc(C(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)c(C)n1 ZINC001367556341 1374211681 /nfs/dbraw/zinc/21/16/81/1374211681.db2.gz BUYIOMGKHFXIKB-UHFFFAOYSA-N 1 2 337.427 2.169 20 30 EEEDLO Cc1ncc(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)c(C)n1 ZINC001367556341 1374211687 /nfs/dbraw/zinc/21/16/87/1374211687.db2.gz BUYIOMGKHFXIKB-UHFFFAOYSA-N 1 2 337.427 2.169 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C(F)C(F)(F)F)C2)c(F)c1 ZINC001370471751 1374953184 /nfs/dbraw/zinc/95/31/84/1374953184.db2.gz GXHADDDFSUJJOU-NQBHXWOUSA-N 1 2 347.287 2.335 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](F)C(F)(F)F)C2)c(F)c1 ZINC001370471751 1374953187 /nfs/dbraw/zinc/95/31/87/1374953187.db2.gz GXHADDDFSUJJOU-NQBHXWOUSA-N 1 2 347.287 2.335 20 30 EEEDLO CC(C)[C@@H](O)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001370868224 1375087773 /nfs/dbraw/zinc/08/77/73/1375087773.db2.gz RWFDVNRPZRXDFG-SJLPKXTDSA-N 1 2 347.434 2.185 20 30 EEEDLO CC(C)[C@@H](O)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001370868224 1375087777 /nfs/dbraw/zinc/08/77/77/1375087777.db2.gz RWFDVNRPZRXDFG-SJLPKXTDSA-N 1 2 347.434 2.185 20 30 EEEDLO Cc1nn(C)c(Cl)c1C(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001372059871 1375744493 /nfs/dbraw/zinc/74/44/93/1375744493.db2.gz LPIOBAPUMXLJGC-UHFFFAOYSA-N 1 2 345.834 2.115 20 30 EEEDLO Cc1nn(C)c(Cl)c1C(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001372059871 1375744495 /nfs/dbraw/zinc/74/44/95/1375744495.db2.gz LPIOBAPUMXLJGC-UHFFFAOYSA-N 1 2 345.834 2.115 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)COc2ccc(OC)cc2)C1 ZINC001377834831 1379539492 /nfs/dbraw/zinc/53/94/92/1379539492.db2.gz YGLJOMUOJALDRM-CQSZACIVSA-N 1 2 338.835 2.407 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)COc2ccc(OC)cc2)C1 ZINC001377834831 1379539495 /nfs/dbraw/zinc/53/94/95/1379539495.db2.gz YGLJOMUOJALDRM-CQSZACIVSA-N 1 2 338.835 2.407 20 30 EEEDLO COc1cc[nH+]cc1Cn1c(C)nnc1N(CCC#N)CC1CC1 ZINC001381865257 1381849838 /nfs/dbraw/zinc/84/98/38/1381849838.db2.gz SHDZXFCQKMYZPM-UHFFFAOYSA-N 1 2 326.404 2.169 20 30 EEEDLO C[C@H](CNC(=O)C(F)C(F)(F)F)C[NH2+]Cc1cccc(C#N)c1 ZINC001391894104 1389692353 /nfs/dbraw/zinc/69/23/53/1389692353.db2.gz KAKJGRWUXDPOON-GXFFZTMASA-N 1 2 331.313 2.301 20 30 EEEDLO C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C[NH2+]Cc1cccc(C#N)c1 ZINC001391894104 1389692358 /nfs/dbraw/zinc/69/23/58/1389692358.db2.gz KAKJGRWUXDPOON-GXFFZTMASA-N 1 2 331.313 2.301 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1cc(Cl)no1 ZINC001392321501 1389978403 /nfs/dbraw/zinc/97/84/03/1389978403.db2.gz GATPKKRGIVUXTG-UHFFFAOYSA-N 1 2 332.791 2.404 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1cc(Cl)no1 ZINC001392321501 1389978409 /nfs/dbraw/zinc/97/84/09/1389978409.db2.gz GATPKKRGIVUXTG-UHFFFAOYSA-N 1 2 332.791 2.404 20 30 EEEDLO C=CCCCC(=O)NCC[N@@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC001753060835 1406654597 /nfs/dbraw/zinc/65/45/97/1406654597.db2.gz BZNXRJYZRAAULZ-MRXNPFEDSA-N 1 2 343.471 2.369 20 30 EEEDLO C=CCCCC(=O)NCC[N@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC001753060835 1406654605 /nfs/dbraw/zinc/65/46/05/1406654605.db2.gz BZNXRJYZRAAULZ-MRXNPFEDSA-N 1 2 343.471 2.369 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+](CCNC(=O)c2cc(C#N)c[nH]2)C2CC2)o1 ZINC001400001712 1395795097 /nfs/dbraw/zinc/79/50/97/1395795097.db2.gz VEHGECXOXKRFJU-GFCCVEGCSA-N 1 2 327.388 2.138 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+](CCNC(=O)c2cc(C#N)c[nH]2)C2CC2)o1 ZINC001400001712 1395795105 /nfs/dbraw/zinc/79/51/05/1395795105.db2.gz VEHGECXOXKRFJU-GFCCVEGCSA-N 1 2 327.388 2.138 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCc1c(C)nn(C)c1C ZINC001401759782 1397553505 /nfs/dbraw/zinc/55/35/05/1397553505.db2.gz PJZLQOCBBFETBM-LBPRGKRZSA-N 1 2 326.872 2.159 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCc1c(C)nn(C)c1C ZINC001401759782 1397553511 /nfs/dbraw/zinc/55/35/11/1397553511.db2.gz PJZLQOCBBFETBM-LBPRGKRZSA-N 1 2 326.872 2.159 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)COCc1cccnc1 ZINC001402738477 1398165622 /nfs/dbraw/zinc/16/56/22/1398165622.db2.gz SEWHQXLGVOYIIU-MRXNPFEDSA-N 1 2 337.851 2.321 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)COCc1cccnc1 ZINC001402738477 1398165628 /nfs/dbraw/zinc/16/56/28/1398165628.db2.gz SEWHQXLGVOYIIU-MRXNPFEDSA-N 1 2 337.851 2.321 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCNC(=O)c1cccs1 ZINC001425065103 1401425063 /nfs/dbraw/zinc/42/50/63/1401425063.db2.gz WYTGQAKWVLOYCW-LBPRGKRZSA-N 1 2 343.880 2.057 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCNC(=O)c1cccs1 ZINC001425065103 1401425069 /nfs/dbraw/zinc/42/50/69/1401425069.db2.gz WYTGQAKWVLOYCW-LBPRGKRZSA-N 1 2 343.880 2.057 20 30 EEEDLO Cc1cc(C[NH+]2CC(CCO)(NC(=O)C#CC(C)(C)C)C2)c(C)s1 ZINC001755331193 1407330878 /nfs/dbraw/zinc/33/08/78/1407330878.db2.gz HCYXDFBNINGLEQ-UHFFFAOYSA-N 1 2 348.512 2.467 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H](C)C1C[NH+](CC(=O)N[C@@H](C)c2ccco2)C1 ZINC001755382632 1407390071 /nfs/dbraw/zinc/39/00/71/1407390071.db2.gz DUIVBPOBHSVUTQ-KBPBESRZSA-N 1 2 347.459 2.106 20 30 EEEDLO CC(C)(C(=O)N(CCCNCC#N)Cc1ccccc1)c1c[nH+]c[nH]1 ZINC001755537806 1407607452 /nfs/dbraw/zinc/60/74/52/1407607452.db2.gz YEAFRBKVZGDRNF-UHFFFAOYSA-N 1 2 339.443 2.219 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H](C)C1CC[NH+](Cc2nnnn2CCC)CC1 ZINC001755843996 1407895320 /nfs/dbraw/zinc/89/53/20/1407895320.db2.gz DLUBULRYRZEWDR-CQSZACIVSA-N 1 2 348.495 2.012 20 30 EEEDLO C[C@H](NC(=O)C#CC(C)(C)C)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001755971437 1408041658 /nfs/dbraw/zinc/04/16/58/1408041658.db2.gz SKRSPLXGCSXLBL-KBPBESRZSA-N 1 2 340.427 2.007 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC001756719678 1409254072 /nfs/dbraw/zinc/25/40/72/1409254072.db2.gz TYOJXLKNMFPTPK-CYBMUJFWSA-N 1 2 334.464 2.202 20 30 EEEDLO Cc1cc(N2CC[C@@H](NC(=O)C#CC3CC3)[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC001112407991 1410906091 /nfs/dbraw/zinc/90/60/91/1410906091.db2.gz WGXLDRXUFMXOAN-SUMWQHHRSA-N 1 2 338.455 2.407 20 30 EEEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(C)c(C#N)n2)CC1 ZINC001164917437 721815285 /nfs/dbraw/zinc/81/52/85/721815285.db2.gz NBTFVJNRCSMPKY-UHFFFAOYSA-N 1 2 336.443 2.208 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2conc2COC)[C@H]1CC ZINC001087793538 782267268 /nfs/dbraw/zinc/26/72/68/782267268.db2.gz ONVGQHZLBRFVTE-GXTWGEPZSA-N 1 2 327.812 2.156 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2conc2COC)[C@H]1CC ZINC001087793538 782267280 /nfs/dbraw/zinc/26/72/80/782267280.db2.gz ONVGQHZLBRFVTE-GXTWGEPZSA-N 1 2 327.812 2.156 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2[nH]cnc2C)[C@H]1CC ZINC001087851329 782377500 /nfs/dbraw/zinc/37/75/00/782377500.db2.gz VKDJSSDLAGFRHA-NWDGAFQWSA-N 1 2 341.253 2.209 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2[nH]cnc2C)[C@H]1CC ZINC001087851329 782377516 /nfs/dbraw/zinc/37/75/16/782377516.db2.gz VKDJSSDLAGFRHA-NWDGAFQWSA-N 1 2 341.253 2.209 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]2C)CCCC1 ZINC001211492868 757067102 /nfs/dbraw/zinc/06/71/02/757067102.db2.gz NKPSFNLFUXFCEX-NVXWUHKLSA-N 1 2 330.476 2.493 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]2C)CCCC1 ZINC001211492868 757067109 /nfs/dbraw/zinc/06/71/09/757067109.db2.gz NKPSFNLFUXFCEX-NVXWUHKLSA-N 1 2 330.476 2.493 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@H](C)C1 ZINC001112487262 757969901 /nfs/dbraw/zinc/96/99/01/757969901.db2.gz KNLSBMVKDJJWRP-KGLIPLIRSA-N 1 2 342.447 2.193 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(C(C)(C)C)cc3)[C@H]2C1 ZINC001083206234 758076850 /nfs/dbraw/zinc/07/68/50/758076850.db2.gz OXTHVLNAXAXDAH-RBUKOAKNSA-N 1 2 340.467 2.071 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(C(C)(C)C)cc3)[C@H]2C1 ZINC001083206234 758076855 /nfs/dbraw/zinc/07/68/55/758076855.db2.gz OXTHVLNAXAXDAH-RBUKOAKNSA-N 1 2 340.467 2.071 20 30 EEEDLO Cc1ccc(C#N)c(NC2(CNC(=O)Cc3[nH]cc[nH+]3)CCCC2)n1 ZINC001104401789 760304505 /nfs/dbraw/zinc/30/45/05/760304505.db2.gz DTEOYIMNUGUVOS-UHFFFAOYSA-N 1 2 338.415 2.068 20 30 EEEDLO CC(C)C[C@@H](CNc1ccc(C#N)cn1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001105002126 768834295 /nfs/dbraw/zinc/83/42/95/768834295.db2.gz VGSPEFMONVCECT-INIZCTEOSA-N 1 2 340.431 2.252 20 30 EEEDLO CC(C)C[C@@H](CNc1ccc(C#N)cn1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001105002126 768834303 /nfs/dbraw/zinc/83/43/03/768834303.db2.gz VGSPEFMONVCECT-INIZCTEOSA-N 1 2 340.431 2.252 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H](Nc2[nH+]cnc3c2cnn3C)[C@H](C)C1 ZINC001105053094 768962282 /nfs/dbraw/zinc/96/22/82/768962282.db2.gz YVEHYASBGPQXJM-HIFRSBDPSA-N 1 2 342.447 2.369 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)[C@H](C)C1 ZINC001105053095 768962698 /nfs/dbraw/zinc/96/26/98/768962698.db2.gz YVEHYASBGPQXJM-UKRRQHHQSA-N 1 2 342.447 2.369 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H]([C@@H](C)Nc2[nH+]cnc3c2cnn3C)C1 ZINC001105078686 769006179 /nfs/dbraw/zinc/00/61/79/769006179.db2.gz JNRQKFWNWRICHJ-KGLIPLIRSA-N 1 2 342.447 2.369 20 30 EEEDLO Cc1cc(C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)on1 ZINC001031538900 769465142 /nfs/dbraw/zinc/46/51/42/769465142.db2.gz MKNQEIPMPXIVMD-UHFFFAOYSA-N 1 2 343.814 2.350 20 30 EEEDLO Cc1ccoc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031549611 769542889 /nfs/dbraw/zinc/54/28/89/769542889.db2.gz QDVANNBOKVFGTK-UHFFFAOYSA-N 1 2 327.359 2.461 20 30 EEEDLO CC(C)[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)Nc1cncc(C#N)n1 ZINC001105309470 769672329 /nfs/dbraw/zinc/67/23/29/769672329.db2.gz SOMOBYHJKQSNCI-INIZCTEOSA-N 1 2 349.398 2.091 20 30 EEEDLO CCc1ocnc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031590313 769920919 /nfs/dbraw/zinc/92/09/19/769920919.db2.gz CCHNCFDAECVEAH-UHFFFAOYSA-N 1 2 341.386 2.089 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCCCCC(C)C)C2)nn1 ZINC001105339641 770010460 /nfs/dbraw/zinc/01/04/60/770010460.db2.gz VIVKPNMUHCXABU-UHFFFAOYSA-N 1 2 345.491 2.381 20 30 EEEDLO C[C@H]1C[N@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)c1[nH]ncc1F ZINC000942600743 782826292 /nfs/dbraw/zinc/82/62/92/782826292.db2.gz UOOWBYXRVWXBIC-YOEHRIQHSA-N 1 2 340.402 2.041 20 30 EEEDLO C[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)c1[nH]ncc1F ZINC000942600743 782826301 /nfs/dbraw/zinc/82/63/01/782826301.db2.gz UOOWBYXRVWXBIC-YOEHRIQHSA-N 1 2 340.402 2.041 20 30 EEEDLO Cc1nscc1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031625373 770415670 /nfs/dbraw/zinc/41/56/70/770415670.db2.gz XJTXUVPFKUQDSW-UHFFFAOYSA-N 1 2 344.415 2.324 20 30 EEEDLO CCc1nc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)cs1 ZINC001027814221 770459120 /nfs/dbraw/zinc/45/91/20/770459120.db2.gz JYBCZGPOVBJELN-CQSZACIVSA-N 1 2 343.456 2.300 20 30 EEEDLO CCc1nc(C[N@H+]2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)cs1 ZINC001027814221 770459126 /nfs/dbraw/zinc/45/91/26/770459126.db2.gz JYBCZGPOVBJELN-CQSZACIVSA-N 1 2 343.456 2.300 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001060739043 770474965 /nfs/dbraw/zinc/47/49/65/770474965.db2.gz GFHIAOBHAJQPQI-WKILWMFISA-N 1 2 346.475 2.277 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C)no3)CC[C@@H]2C1 ZINC001088064387 782841798 /nfs/dbraw/zinc/84/17/98/782841798.db2.gz BNXWTRHUIQYLEQ-CABCVRRESA-N 1 2 332.448 2.261 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C)no3)CC[C@@H]2C1 ZINC001088064387 782841800 /nfs/dbraw/zinc/84/18/00/782841800.db2.gz BNXWTRHUIQYLEQ-CABCVRRESA-N 1 2 332.448 2.261 20 30 EEEDLO Cc1cnccc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031652881 770647687 /nfs/dbraw/zinc/64/76/87/770647687.db2.gz VXBVKPDFLYCRLY-UHFFFAOYSA-N 1 2 337.398 2.242 20 30 EEEDLO CC(C)(CC#N)CS(=O)(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920613673 770785538 /nfs/dbraw/zinc/78/55/38/770785538.db2.gz BODURYLGDPIVMZ-UHFFFAOYSA-N 1 2 336.461 2.228 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001027834263 773222924 /nfs/dbraw/zinc/22/29/24/773222924.db2.gz WTLRWORZNZRXCL-INIZCTEOSA-N 1 2 340.431 2.058 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001027834263 773222926 /nfs/dbraw/zinc/22/29/26/773222926.db2.gz WTLRWORZNZRXCL-INIZCTEOSA-N 1 2 340.431 2.058 20 30 EEEDLO CC[C@@H]1CC[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)O1 ZINC001031709852 773534282 /nfs/dbraw/zinc/53/42/82/773534282.db2.gz ZOBSLCZMTQROBA-MOPGFXCFSA-N 1 2 344.430 2.183 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001027857400 773640824 /nfs/dbraw/zinc/64/08/24/773640824.db2.gz ITJAUPBQNZZVSW-DCAQKATOSA-N 1 2 337.208 2.377 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001027857400 773640828 /nfs/dbraw/zinc/64/08/28/773640828.db2.gz ITJAUPBQNZZVSW-DCAQKATOSA-N 1 2 337.208 2.377 20 30 EEEDLO C#CCCCCCC(=O)N(CC)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106907067 774257157 /nfs/dbraw/zinc/25/71/57/774257157.db2.gz TXXMMXPIOYXVOM-UHFFFAOYSA-N 1 2 346.479 2.090 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccnc3)CC2)s1 ZINC000980627386 775010401 /nfs/dbraw/zinc/01/04/01/775010401.db2.gz BYIVOXWOLNDDRN-UHFFFAOYSA-N 1 2 326.425 2.363 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccnc3)CC2)s1 ZINC000980627386 775010410 /nfs/dbraw/zinc/01/04/10/775010410.db2.gz BYIVOXWOLNDDRN-UHFFFAOYSA-N 1 2 326.425 2.363 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(CC)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106912079 775236374 /nfs/dbraw/zinc/23/63/74/775236374.db2.gz WATNPAJVZBXNTN-UHFFFAOYSA-N 1 2 334.468 2.109 20 30 EEEDLO Cc1nc(N2CCC[C@@H]([C@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)cc[nH+]1 ZINC001060354791 790345702 /nfs/dbraw/zinc/34/57/02/790345702.db2.gz LZLJVODNJJTRAJ-GXTWGEPZSA-N 1 2 338.415 2.020 20 30 EEEDLO CCc1nnc(C)cc1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031781834 775563966 /nfs/dbraw/zinc/56/39/66/775563966.db2.gz RNSQCCMFAVDQQU-UHFFFAOYSA-N 1 2 349.438 2.081 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3=CCOCC3)CC2)cc1F ZINC000981028894 776361357 /nfs/dbraw/zinc/36/13/57/776361357.db2.gz SPMRBVWJEDQISP-UHFFFAOYSA-N 1 2 343.402 2.078 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3=CCOCC3)CC2)cc1F ZINC000981028894 776361365 /nfs/dbraw/zinc/36/13/65/776361365.db2.gz SPMRBVWJEDQISP-UHFFFAOYSA-N 1 2 343.402 2.078 20 30 EEEDLO O=C(c1cc2n(n1)CCC2)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981288428 777083103 /nfs/dbraw/zinc/08/31/03/777083103.db2.gz FTKAGMWUONWQIE-UHFFFAOYSA-N 1 2 348.450 2.029 20 30 EEEDLO O=C(c1cc2n(n1)CCC2)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981288428 777083116 /nfs/dbraw/zinc/08/31/16/777083116.db2.gz FTKAGMWUONWQIE-UHFFFAOYSA-N 1 2 348.450 2.029 20 30 EEEDLO CO[C@@H]1CC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)C1 ZINC000981498433 777553448 /nfs/dbraw/zinc/55/34/48/777553448.db2.gz KHAJTNMYVAFNQD-LSDHHAIUSA-N 1 2 347.484 2.469 20 30 EEEDLO CO[C@@H]1CC[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)C1 ZINC000981498433 777553457 /nfs/dbraw/zinc/55/34/57/777553457.db2.gz KHAJTNMYVAFNQD-LSDHHAIUSA-N 1 2 347.484 2.469 20 30 EEEDLO Cc1csc(CON=C(N)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000181850221 777835317 /nfs/dbraw/zinc/83/53/17/777835317.db2.gz URTFRIVGOGSIKO-HNNXBMFYSA-N 1 2 346.456 2.141 20 30 EEEDLO Cc1csc(CON=C(N)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000181850221 777835328 /nfs/dbraw/zinc/83/53/28/777835328.db2.gz URTFRIVGOGSIKO-HNNXBMFYSA-N 1 2 346.456 2.141 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3nccnc3C)CC2)cc1 ZINC000981731003 778114675 /nfs/dbraw/zinc/11/46/75/778114675.db2.gz WIEXQAKPPRECDX-UHFFFAOYSA-N 1 2 334.423 2.114 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](Cc3nccnc3C)CC2)cc1 ZINC000981731003 778114680 /nfs/dbraw/zinc/11/46/80/778114680.db2.gz WIEXQAKPPRECDX-UHFFFAOYSA-N 1 2 334.423 2.114 20 30 EEEDLO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1)c1cncnc1 ZINC000981817122 778272895 /nfs/dbraw/zinc/27/28/95/778272895.db2.gz XVVDXBSMNZPRHB-MRXNPFEDSA-N 1 2 349.438 2.186 20 30 EEEDLO C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1)c1cncnc1 ZINC000981817122 778272898 /nfs/dbraw/zinc/27/28/98/778272898.db2.gz XVVDXBSMNZPRHB-MRXNPFEDSA-N 1 2 349.438 2.186 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@H+](Cc2ccc(OC)nn2)CC1 ZINC000981873053 778446599 /nfs/dbraw/zinc/44/65/99/778446599.db2.gz GVLYWWFSFFWHIQ-GOSISDBHSA-N 1 2 332.448 2.122 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](Cc2ccc(OC)nn2)CC1 ZINC000981873053 778446604 /nfs/dbraw/zinc/44/66/04/778446604.db2.gz GVLYWWFSFFWHIQ-GOSISDBHSA-N 1 2 332.448 2.122 20 30 EEEDLO CO[C@H](C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1)C(C)C ZINC000981877585 778465269 /nfs/dbraw/zinc/46/52/69/778465269.db2.gz HRKSIPGIJVKXGJ-SFHVURJKSA-N 1 2 347.434 2.403 20 30 EEEDLO CO[C@H](C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1)C(C)C ZINC000981877585 778465274 /nfs/dbraw/zinc/46/52/74/778465274.db2.gz HRKSIPGIJVKXGJ-SFHVURJKSA-N 1 2 347.434 2.403 20 30 EEEDLO C=C1CCC(C(=O)N2CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC000995068713 778492592 /nfs/dbraw/zinc/49/25/92/778492592.db2.gz VROBUXCYKSYVQZ-UHFFFAOYSA-N 1 2 338.411 2.250 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CCC[N@@H+](Cc1cn(CC)nn1)C2 ZINC000981987967 778779400 /nfs/dbraw/zinc/77/94/00/778779400.db2.gz QAKGGJBXTQMZMC-GOSISDBHSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CCC[N@H+](Cc1cn(CC)nn1)C2 ZINC000981987967 778779407 /nfs/dbraw/zinc/77/94/07/778779407.db2.gz QAKGGJBXTQMZMC-GOSISDBHSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1coc(C)n1 ZINC001028195465 778833826 /nfs/dbraw/zinc/83/38/26/778833826.db2.gz OCJALSBWTHZXAW-IKGGRYGDSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1coc(C)n1 ZINC001028195465 778833837 /nfs/dbraw/zinc/83/38/37/778833837.db2.gz OCJALSBWTHZXAW-IKGGRYGDSA-N 1 2 333.432 2.045 20 30 EEEDLO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)no1 ZINC000940659264 779074282 /nfs/dbraw/zinc/07/42/82/779074282.db2.gz VENHZYMFQGBWPZ-INIZCTEOSA-N 1 2 341.415 2.213 20 30 EEEDLO Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)no1 ZINC000940659264 779074286 /nfs/dbraw/zinc/07/42/86/779074286.db2.gz VENHZYMFQGBWPZ-INIZCTEOSA-N 1 2 341.415 2.213 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)cc1F ZINC001031910155 779329274 /nfs/dbraw/zinc/32/92/74/779329274.db2.gz INLXLUKLWGPLDW-FVQHAEBGSA-N 1 2 327.403 2.291 20 30 EEEDLO Cc1coc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)c1 ZINC001031913689 779420242 /nfs/dbraw/zinc/42/02/42/779420242.db2.gz PUIHLMFUPYBNBK-UHFFFAOYSA-N 1 2 327.359 2.461 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cnoc2CC)C1 ZINC001087438686 779496568 /nfs/dbraw/zinc/49/65/68/779496568.db2.gz KWOAUNYGXVESBB-SJLPKXTDSA-N 1 2 337.423 2.458 20 30 EEEDLO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cnoc2CC)C1 ZINC001087438686 779496575 /nfs/dbraw/zinc/49/65/75/779496575.db2.gz KWOAUNYGXVESBB-SJLPKXTDSA-N 1 2 337.423 2.458 20 30 EEEDLO Cc1conc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001028247726 779629227 /nfs/dbraw/zinc/62/92/27/779629227.db2.gz VEKNSVIUHTUMKZ-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1conc1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001028247726 779629232 /nfs/dbraw/zinc/62/92/32/779629232.db2.gz VEKNSVIUHTUMKZ-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO NC(=O)c1ccc(C(=[NH2+])Nc2cc(Cl)nc3cnccc32)cc1 ZINC001171257089 790730367 /nfs/dbraw/zinc/73/03/67/790730367.db2.gz XCUOJLNOBFNIND-UHFFFAOYSA-N 1 2 325.759 2.419 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001031931589 780040209 /nfs/dbraw/zinc/04/02/09/780040209.db2.gz RPBLWHGLYRKSMJ-UHFFFAOYSA-N 1 2 345.406 2.296 20 30 EEEDLO C#C[C@H](C)[N@H+](C)Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000894060172 780477734 /nfs/dbraw/zinc/47/77/34/780477734.db2.gz PQFFWGHGFJYZFF-GJZGRUSLSA-N 1 2 347.463 2.304 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)Cc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000894060172 780477736 /nfs/dbraw/zinc/47/77/36/780477736.db2.gz PQFFWGHGFJYZFF-GJZGRUSLSA-N 1 2 347.463 2.304 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(NC(N)=O)c1 ZINC001028309058 780651167 /nfs/dbraw/zinc/65/11/67/780651167.db2.gz POUCHXYFGKDBMF-CQSZACIVSA-N 1 2 336.823 2.124 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(NC(N)=O)c1 ZINC001028309058 780651175 /nfs/dbraw/zinc/65/11/75/780651175.db2.gz POUCHXYFGKDBMF-CQSZACIVSA-N 1 2 336.823 2.124 20 30 EEEDLO N#Cc1cc(Cl)c(-c2noc(C[N@H+]3CC[C@H](O)C3)n2)cc1Cl ZINC001211789319 780891648 /nfs/dbraw/zinc/89/16/48/780891648.db2.gz NZGXSDCRIVFKPD-VIFPVBQESA-N 1 2 339.182 2.482 20 30 EEEDLO N#Cc1cc(Cl)c(-c2noc(C[N@@H+]3CC[C@H](O)C3)n2)cc1Cl ZINC001211789319 780891653 /nfs/dbraw/zinc/89/16/53/780891653.db2.gz NZGXSDCRIVFKPD-VIFPVBQESA-N 1 2 339.182 2.482 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)CCCCC)C2)nn1 ZINC001105375732 781051444 /nfs/dbraw/zinc/05/14/44/781051444.db2.gz MNWZPPXFMRWHRA-UHFFFAOYSA-N 1 2 345.491 2.381 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)CCC(C)C ZINC001211840957 781102883 /nfs/dbraw/zinc/10/28/83/781102883.db2.gz DUIIMRXQJVCRET-QZTJIDSGSA-N 1 2 347.434 2.449 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)CCC(C)C ZINC001211840957 781102885 /nfs/dbraw/zinc/10/28/85/781102885.db2.gz DUIIMRXQJVCRET-QZTJIDSGSA-N 1 2 347.434 2.449 20 30 EEEDLO CCN(CCNc1snc(C)c1C#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001106964096 781551917 /nfs/dbraw/zinc/55/19/17/781551917.db2.gz GWKXPPPUAIWBHF-GFCCVEGCSA-N 1 2 346.460 2.431 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC1(CNC(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001063397104 790916054 /nfs/dbraw/zinc/91/60/54/790916054.db2.gz ZRLPPOYVMYLTBM-CQSZACIVSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC1(CNC(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001063397104 790916063 /nfs/dbraw/zinc/91/60/63/790916063.db2.gz ZRLPPOYVMYLTBM-CQSZACIVSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)CCOCC)CC[C@@H]1C ZINC001131874650 783378511 /nfs/dbraw/zinc/37/85/11/783378511.db2.gz BLTFWOBNSLQVQQ-QWHCGFSZSA-N 1 2 333.270 2.291 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)CCOCC)CC[C@@H]1C ZINC001131874650 783378521 /nfs/dbraw/zinc/37/85/21/783378521.db2.gz BLTFWOBNSLQVQQ-QWHCGFSZSA-N 1 2 333.270 2.291 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C3CC3)[nH]c2C2CC2)C1 ZINC001035419466 784461001 /nfs/dbraw/zinc/46/10/01/784461001.db2.gz GTMYDBDLYNPMFU-HNNXBMFYSA-N 1 2 329.444 2.386 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C3CC3)[nH]c2C2CC2)C1 ZINC001035419466 784461004 /nfs/dbraw/zinc/46/10/04/784461004.db2.gz GTMYDBDLYNPMFU-HNNXBMFYSA-N 1 2 329.444 2.386 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001035431743 784515572 /nfs/dbraw/zinc/51/55/72/784515572.db2.gz QHIQYLJTJWJGKC-LJQANCHMSA-N 1 2 339.439 2.484 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001035431743 784515581 /nfs/dbraw/zinc/51/55/81/784515581.db2.gz QHIQYLJTJWJGKC-LJQANCHMSA-N 1 2 339.439 2.484 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C)c(C)c2Cl)C1 ZINC001035573172 784709042 /nfs/dbraw/zinc/70/90/42/784709042.db2.gz HOLBGMRVDLACDZ-HNNXBMFYSA-N 1 2 334.847 2.411 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C)c(C)c2Cl)C1 ZINC001035573172 784709045 /nfs/dbraw/zinc/70/90/45/784709045.db2.gz HOLBGMRVDLACDZ-HNNXBMFYSA-N 1 2 334.847 2.411 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(OC)c(C)c(OC)c2)C1 ZINC001035601749 784755100 /nfs/dbraw/zinc/75/51/00/784755100.db2.gz BMOLWZOHWDHPME-INIZCTEOSA-N 1 2 348.443 2.019 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(OC)c(C)c(OC)c2)C1 ZINC001035601749 784755102 /nfs/dbraw/zinc/75/51/02/784755102.db2.gz BMOLWZOHWDHPME-INIZCTEOSA-N 1 2 348.443 2.019 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC2(C[NH+](Cc3nc4ccccc4o3)C2)CC1 ZINC001035674224 784916140 /nfs/dbraw/zinc/91/61/40/784916140.db2.gz SZVKJZRACOODIN-CQSZACIVSA-N 1 2 338.411 2.412 20 30 EEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2CC[C@H](C#N)C2)CC1=O ZINC000818992660 785355789 /nfs/dbraw/zinc/35/57/89/785355789.db2.gz SIGYHKUCTZAKIK-QWHCGFSZSA-N 1 2 335.411 2.338 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2nnc(C)o2)C(C)(C)C1 ZINC000995853016 785769241 /nfs/dbraw/zinc/76/92/41/785769241.db2.gz QBFSRKHVBHFUQC-GFCCVEGCSA-N 1 2 340.855 2.483 20 30 EEEDLO C=CCCC(=O)NCc1cn(C2C[NH+](Cc3cccc(C)c3)C2)nn1 ZINC001107142757 786071999 /nfs/dbraw/zinc/07/19/99/786071999.db2.gz OJZZMYYGYOJSIC-UHFFFAOYSA-N 1 2 339.443 2.226 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3(C)CCCCCC3)nn2)C1 ZINC001107179876 786229153 /nfs/dbraw/zinc/22/91/53/786229153.db2.gz VCIBRCZIYMJMOR-UHFFFAOYSA-N 1 2 331.464 2.298 20 30 EEEDLO C#CCCCCCC(=O)N(C)CCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001109584863 805715498 /nfs/dbraw/zinc/71/54/98/805715498.db2.gz AKZGHEPLRDPOLO-UHFFFAOYSA-N 1 2 346.479 2.090 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)cs3)C[C@H]2O)CC1 ZINC001090544589 786829189 /nfs/dbraw/zinc/82/91/89/786829189.db2.gz CKFQAOFMHFVOEI-JKSUJKDBSA-N 1 2 349.500 2.249 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)cs3)C[C@H]2O)CC1 ZINC001090544589 786829199 /nfs/dbraw/zinc/82/91/99/786829199.db2.gz CKFQAOFMHFVOEI-JKSUJKDBSA-N 1 2 349.500 2.249 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(F)ccc(C)c2F)[C@@H](O)C1 ZINC001090548958 786833940 /nfs/dbraw/zinc/83/39/40/786833940.db2.gz FOBKNWAUHREHDT-STQMWFEESA-N 1 2 344.789 2.191 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(F)ccc(C)c2F)[C@@H](O)C1 ZINC001090548958 786833951 /nfs/dbraw/zinc/83/39/51/786833951.db2.gz FOBKNWAUHREHDT-STQMWFEESA-N 1 2 344.789 2.191 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NC/C=C\CNc1[nH+]cnc2c1cnn2C ZINC001107361151 786993830 /nfs/dbraw/zinc/99/38/30/786993830.db2.gz HDYJBDYNGSNOCT-WAYWQWQTSA-N 1 2 348.838 2.226 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2Cl)[C@@H](O)C1 ZINC001090588029 787095945 /nfs/dbraw/zinc/09/59/45/787095945.db2.gz AQEBZWFDIHTMEC-KBPBESRZSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(F)ccc2Cl)[C@@H](O)C1 ZINC001090588029 787095953 /nfs/dbraw/zinc/09/59/53/787095953.db2.gz AQEBZWFDIHTMEC-KBPBESRZSA-N 1 2 347.217 2.397 20 30 EEEDLO C=CCCC(=O)N[C@H]1C[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C12CCC2 ZINC001090598871 787189452 /nfs/dbraw/zinc/18/94/52/787189452.db2.gz IDGIPYYSFCOMKC-UONOGXRCSA-N 1 2 344.463 2.052 20 30 EEEDLO C#CCCCCCC(=O)NC/C=C\CNc1[nH+]cnc2c1cnn2C ZINC001107449126 787264184 /nfs/dbraw/zinc/26/41/84/787264184.db2.gz SNWYSGWUIBRYPL-HJWRWDBZSA-N 1 2 340.431 2.031 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001062060287 787298563 /nfs/dbraw/zinc/29/85/63/787298563.db2.gz OVTYAMPXNWHMFU-MRXNPFEDSA-N 1 2 346.475 2.390 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)C1CC(Nc2[nH+]cnc3c2cnn3C)C1 ZINC001127041214 787392904 /nfs/dbraw/zinc/39/29/04/787392904.db2.gz DPDAFYIVNCHCQJ-IYXRBSQSSA-N 1 2 342.447 2.367 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1snnc1C ZINC001109627252 805788528 /nfs/dbraw/zinc/78/85/28/805788528.db2.gz ILGCNTQHRZDGQH-ILXRZTDVSA-N 1 2 332.473 2.262 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1snnc1C ZINC001109627252 805788532 /nfs/dbraw/zinc/78/85/32/805788532.db2.gz ILGCNTQHRZDGQH-ILXRZTDVSA-N 1 2 332.473 2.262 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001062255642 787726779 /nfs/dbraw/zinc/72/67/79/787726779.db2.gz CXJVZVNBNGIFOS-MRXNPFEDSA-N 1 2 344.459 2.196 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001062255642 787726783 /nfs/dbraw/zinc/72/67/83/787726783.db2.gz CXJVZVNBNGIFOS-MRXNPFEDSA-N 1 2 344.459 2.196 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001062315761 787877070 /nfs/dbraw/zinc/87/70/70/787877070.db2.gz DNZLEQZDKBYDQC-NVXWUHKLSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001062315761 787877083 /nfs/dbraw/zinc/87/70/83/787877083.db2.gz DNZLEQZDKBYDQC-NVXWUHKLSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2oc(CC)cc2C)[C@H](O)C1 ZINC001090726275 787928226 /nfs/dbraw/zinc/92/82/26/787928226.db2.gz UYLVKQKFIVAALG-UONOGXRCSA-N 1 2 326.824 2.068 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2oc(CC)cc2C)[C@H](O)C1 ZINC001090726275 787928234 /nfs/dbraw/zinc/92/82/34/787928234.db2.gz UYLVKQKFIVAALG-UONOGXRCSA-N 1 2 326.824 2.068 20 30 EEEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C(C)C ZINC001109656364 805837031 /nfs/dbraw/zinc/83/70/31/805837031.db2.gz QCYCRDLEYORZJY-YVSFHVDLSA-N 1 2 335.492 2.225 20 30 EEEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C(C)C ZINC001109656364 805837040 /nfs/dbraw/zinc/83/70/40/805837040.db2.gz QCYCRDLEYORZJY-YVSFHVDLSA-N 1 2 335.492 2.225 20 30 EEEDLO CC[C@H](C)C(=O)NC[C@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107751686 788232791 /nfs/dbraw/zinc/23/27/91/788232791.db2.gz HYETXXKPWNULFY-HNAYVOBHSA-N 1 2 329.444 2.311 20 30 EEEDLO CC[C@H](C)C(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107751686 788232798 /nfs/dbraw/zinc/23/27/98/788232798.db2.gz HYETXXKPWNULFY-HNAYVOBHSA-N 1 2 329.444 2.311 20 30 EEEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC2(C)C)cc1C#N ZINC001032358550 788246175 /nfs/dbraw/zinc/24/61/75/788246175.db2.gz CJLDAFBYZYVWCT-YESZJQIVSA-N 1 2 339.439 2.398 20 30 EEEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC2(C)C)cc1C#N ZINC001032358550 788246181 /nfs/dbraw/zinc/24/61/81/788246181.db2.gz CJLDAFBYZYVWCT-YESZJQIVSA-N 1 2 339.439 2.398 20 30 EEEDLO CS[C@H](C)C(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107763232 788278504 /nfs/dbraw/zinc/27/85/04/788278504.db2.gz CNSNUMXCGDXYGY-KDOFPFPSSA-N 1 2 347.484 2.017 20 30 EEEDLO CS[C@H](C)C(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107763232 788278508 /nfs/dbraw/zinc/27/85/08/788278508.db2.gz CNSNUMXCGDXYGY-KDOFPFPSSA-N 1 2 347.484 2.017 20 30 EEEDLO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ncnc2[nH]c(C(C)C)nc21 ZINC001171070602 788335953 /nfs/dbraw/zinc/33/59/53/788335953.db2.gz FSRAJWVRDTUEOW-LBPRGKRZSA-N 1 2 346.435 2.115 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(c3cccc(C)c3)CC2)[C@H](O)C1 ZINC001090833115 788471307 /nfs/dbraw/zinc/47/13/07/788471307.db2.gz KWKPMIKISHFZJR-DLBZAZTESA-N 1 2 348.874 2.331 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(c3cccc(C)c3)CC2)[C@H](O)C1 ZINC001090833115 788471313 /nfs/dbraw/zinc/47/13/13/788471313.db2.gz KWKPMIKISHFZJR-DLBZAZTESA-N 1 2 348.874 2.331 20 30 EEEDLO N#Cc1cc(F)cc(NC(=O)c2cccn2CC[NH+]2CCOCC2)c1 ZINC000913430906 788869314 /nfs/dbraw/zinc/86/93/14/788869314.db2.gz KDLBOMYCJUMDFO-UHFFFAOYSA-N 1 2 342.374 2.083 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C[N@@H+]2Cc2cncc(C#N)c2)C1 ZINC001144074387 789208891 /nfs/dbraw/zinc/20/88/91/789208891.db2.gz LFBHIBMQYLHJAF-HOTGVXAUSA-N 1 2 328.416 2.394 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C[N@H+]2Cc2cncc(C#N)c2)C1 ZINC001144074387 789208900 /nfs/dbraw/zinc/20/89/00/789208900.db2.gz LFBHIBMQYLHJAF-HOTGVXAUSA-N 1 2 328.416 2.394 20 30 EEEDLO Cc1nc(NC[C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)ccc1C#N ZINC001060268562 789289338 /nfs/dbraw/zinc/28/93/38/789289338.db2.gz QRXMDXMJSNMZRP-OAHLLOKOSA-N 1 2 338.415 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/nfs/dbraw/zinc/77/80/10/789778010.db2.gz UBJNXDKGVIVUDT-NVXWUHKLSA-N 1 2 342.439 2.118 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001079039011 789779172 /nfs/dbraw/zinc/77/91/72/789779172.db2.gz HELCAYNMFJONNJ-IRXDYDNUSA-N 1 2 346.475 2.325 20 30 EEEDLO N#Cc1cc(C(=O)NC2C[NH+](Cc3ccc4ncccc4c3)C2)c[nH]1 ZINC001030230293 789841505 /nfs/dbraw/zinc/84/15/05/789841505.db2.gz CEHYJCSVCDACAZ-UHFFFAOYSA-N 1 2 331.379 2.049 20 30 EEEDLO CCO[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147057167 791669409 /nfs/dbraw/zinc/66/94/09/791669409.db2.gz XQIHNRIRXYFURU-CQSZACIVSA-N 1 2 345.418 2.157 20 30 EEEDLO CCO[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001147057167 791669417 /nfs/dbraw/zinc/66/94/17/791669417.db2.gz XQIHNRIRXYFURU-CQSZACIVSA-N 1 2 345.418 2.157 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1cn(C(C)C)nn1)C2 ZINC001147374792 791805184 /nfs/dbraw/zinc/80/51/84/791805184.db2.gz ULSHXBXFSWAIJN-UHFFFAOYSA-N 1 2 343.475 2.087 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1cn(C(C)C)nn1)C2 ZINC001147374792 791805187 /nfs/dbraw/zinc/80/51/87/791805187.db2.gz ULSHXBXFSWAIJN-UHFFFAOYSA-N 1 2 343.475 2.087 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000998014959 791840885 /nfs/dbraw/zinc/84/08/85/791840885.db2.gz MBGUZJFXKCEYOL-HOTGVXAUSA-N 1 2 328.460 2.166 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000998014959 791840888 /nfs/dbraw/zinc/84/08/88/791840888.db2.gz MBGUZJFXKCEYOL-HOTGVXAUSA-N 1 2 328.460 2.166 20 30 EEEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)CSCC#N)CC2)cc1 ZINC000174197395 791999820 /nfs/dbraw/zinc/99/98/20/791999820.db2.gz DCAHWBUOPVHXHM-UHFFFAOYSA-N 1 2 332.473 2.094 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ncoc2-c2ccccc2)C1 ZINC001107982206 792382410 /nfs/dbraw/zinc/38/24/10/792382410.db2.gz RFBBVISYEMIART-IBGZPJMESA-N 1 2 341.411 2.348 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ncoc2-c2ccccc2)C1 ZINC001107982206 792382419 /nfs/dbraw/zinc/38/24/19/792382419.db2.gz RFBBVISYEMIART-IBGZPJMESA-N 1 2 341.411 2.348 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2coc(Br)c2)C1 ZINC001107982783 792429888 /nfs/dbraw/zinc/42/98/88/792429888.db2.gz CQFAPGFFNKZJLX-AWEZNQCLSA-N 1 2 343.221 2.049 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2coc(Br)c2)C1 ZINC001107982783 792429894 /nfs/dbraw/zinc/42/98/94/792429894.db2.gz CQFAPGFFNKZJLX-AWEZNQCLSA-N 1 2 343.221 2.049 20 30 EEEDLO Cc1nc(N2C[C@@H](NC(=O)C#CC3CC3)CC[C@H]2C)c(C)c(C)[nH+]1 ZINC001089136314 792582306 /nfs/dbraw/zinc/58/23/06/792582306.db2.gz CACJVOTXCFCIHL-PXAZEXFGSA-N 1 2 326.444 2.289 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C\Cl)C2 ZINC001148881476 792788478 /nfs/dbraw/zinc/78/84/78/792788478.db2.gz SDQZVNJRPRLPLM-GKWYLQRDSA-N 1 2 333.259 2.431 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001148881476 792788483 /nfs/dbraw/zinc/78/84/83/792788483.db2.gz SDQZVNJRPRLPLM-GKWYLQRDSA-N 1 2 333.259 2.431 20 30 EEEDLO C[N@@H+](Cc1nccs1)C[C@@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001089161426 792936224 /nfs/dbraw/zinc/93/62/24/792936224.db2.gz FXYACGSJVPEKJJ-HNNXBMFYSA-N 1 2 343.456 2.470 20 30 EEEDLO C[N@H+](Cc1nccs1)C[C@@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001089161426 792936231 /nfs/dbraw/zinc/93/62/31/792936231.db2.gz FXYACGSJVPEKJJ-HNNXBMFYSA-N 1 2 343.456 2.470 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H](CNc1[nH+]cnc2c1cnn2C)C1CC1 ZINC001109920402 806209416 /nfs/dbraw/zinc/20/94/16/806209416.db2.gz DIDINEYQDQNSCO-AWEZNQCLSA-N 1 2 342.447 2.272 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(F)c1 ZINC001032637166 793068834 /nfs/dbraw/zinc/06/88/34/793068834.db2.gz FEAUJISACAAWKY-FJIDUMEYSA-N 1 2 330.403 2.202 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(F)c1 ZINC001032637166 793068842 /nfs/dbraw/zinc/06/88/42/793068842.db2.gz FEAUJISACAAWKY-FJIDUMEYSA-N 1 2 330.403 2.202 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1c1nc(C)[nH+]c(C)c1C ZINC001091781216 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2.123 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCC(F)CC1)c1nccn12 ZINC001092393917 793893445 /nfs/dbraw/zinc/89/34/45/793893445.db2.gz NHFLKKCPASBVAQ-YMAMQOFZSA-N 1 2 332.423 2.169 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)cccc1C)c1nccn12 ZINC001092397828 793896527 /nfs/dbraw/zinc/89/65/27/793896527.db2.gz FLZKGBIYXZNSTB-KRWDZBQOSA-N 1 2 348.450 2.409 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)C1=CCCCCC1)c1nccn12 ZINC001092367588 793912071 /nfs/dbraw/zinc/91/20/71/793912071.db2.gz VDJLOYYUUQCDGP-KRWDZBQOSA-N 1 2 338.455 2.369 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC(C2CC2)C2CC2)[C@H](O)C1 ZINC001100134114 806283730 /nfs/dbraw/zinc/28/37/30/806283730.db2.gz MJKXUFREILMSQM-JKSUJKDBSA-N 1 2 326.868 2.117 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC(C2CC2)C2CC2)[C@H](O)C1 ZINC001100134114 806283738 /nfs/dbraw/zinc/28/37/38/806283738.db2.gz MJKXUFREILMSQM-JKSUJKDBSA-N 1 2 326.868 2.117 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c(C)noc2C(C)C)[C@@H](O)C1 ZINC001090332709 793965185 /nfs/dbraw/zinc/96/51/85/793965185.db2.gz CPEPALAIECLLCF-OLZOCXBDSA-N 1 2 341.839 2.024 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)noc2C(C)C)[C@@H](O)C1 ZINC001090332709 793965191 /nfs/dbraw/zinc/96/51/91/793965191.db2.gz CPEPALAIECLLCF-OLZOCXBDSA-N 1 2 341.839 2.024 20 30 EEEDLO C=C(Br)C[NH2+][C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC000999206706 794017202 /nfs/dbraw/zinc/01/72/02/794017202.db2.gz GTTQGWPQHIDIEY-IUCAKERBSA-N 1 2 347.150 2.376 20 30 EEEDLO C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000999206706 794017212 /nfs/dbraw/zinc/01/72/12/794017212.db2.gz GTTQGWPQHIDIEY-IUCAKERBSA-N 1 2 347.150 2.376 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)[C@H](CCNc2[nH+]cnc3c2cnn3C)C1 ZINC001092609170 794141605 /nfs/dbraw/zinc/14/16/05/794141605.db2.gz ORUZNFIIBXGRQR-ZIAGYGMSSA-N 1 2 342.447 2.226 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)c(F)cc2F)[C@@H](O)C1 ZINC001090354181 794156020 /nfs/dbraw/zinc/15/60/20/794156020.db2.gz IMYMPGCNERQSDD-CABCVRRESA-N 1 2 344.789 2.191 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)c(F)cc2F)[C@@H](O)C1 ZINC001090354181 794156025 /nfs/dbraw/zinc/15/60/25/794156025.db2.gz IMYMPGCNERQSDD-CABCVRRESA-N 1 2 344.789 2.191 20 30 EEEDLO CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)C2 ZINC001109967361 806307366 /nfs/dbraw/zinc/30/73/66/806307366.db2.gz AOCHYIVPOUHQIA-FUMNGEBKSA-N 1 2 339.483 2.424 20 30 EEEDLO CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C2 ZINC001109967361 806307377 /nfs/dbraw/zinc/30/73/77/806307377.db2.gz AOCHYIVPOUHQIA-FUMNGEBKSA-N 1 2 339.483 2.424 20 30 EEEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)CC)C2 ZINC001109967361 806307386 /nfs/dbraw/zinc/30/73/86/806307386.db2.gz AOCHYIVPOUHQIA-FUMNGEBKSA-N 1 2 339.483 2.424 20 30 EEEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)CC)C2 ZINC001109967361 806307395 /nfs/dbraw/zinc/30/73/95/806307395.db2.gz AOCHYIVPOUHQIA-FUMNGEBKSA-N 1 2 339.483 2.424 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@H]([NH2+]Cc2nc(CC)no2)C1 ZINC000999363723 794364753 /nfs/dbraw/zinc/36/47/53/794364753.db2.gz JSQKXNKPWODQNY-AWEZNQCLSA-N 1 2 343.431 2.014 20 30 EEEDLO Cc1nc(N2CCN(C(=O)C#CC(C)(C)C)CC2)c2c([nH+]1)CCCC2 ZINC001093152578 794732386 /nfs/dbraw/zinc/73/23/86/794732386.db2.gz NDNRCKDKDPWWRP-UHFFFAOYSA-N 1 2 340.471 2.362 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cncs1 ZINC001079464583 794800917 /nfs/dbraw/zinc/80/09/17/794800917.db2.gz FIJUKQYJNSGFKV-IAQYHMDHSA-N 1 2 344.415 2.404 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1cncs1 ZINC001079464583 794800923 /nfs/dbraw/zinc/80/09/23/794800923.db2.gz FIJUKQYJNSGFKV-IAQYHMDHSA-N 1 2 344.415 2.404 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588199 794972936 /nfs/dbraw/zinc/97/29/36/794972936.db2.gz BWEKKFGOUIQQGC-IAQYHMDHSA-N 1 2 343.818 2.185 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001079588199 794972938 /nfs/dbraw/zinc/97/29/38/794972938.db2.gz BWEKKFGOUIQQGC-IAQYHMDHSA-N 1 2 343.818 2.185 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([NH2+]Cc3nc(CC)no3)C2)cc1 ZINC000999856784 795014626 /nfs/dbraw/zinc/01/46/26/795014626.db2.gz NBUQFDMJJIIZAZ-INIZCTEOSA-N 1 2 338.411 2.008 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC(N(CC)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001079698402 795116408 /nfs/dbraw/zinc/11/64/08/795116408.db2.gz AFPOGULMHOARIZ-UHFFFAOYSA-N 1 2 332.448 2.004 20 30 EEEDLO C[C@H](C[C@H](C)Nc1ccc(C#N)cn1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001089306163 795151367 /nfs/dbraw/zinc/15/13/67/795151367.db2.gz OBODTMDAIHSNFZ-QWHCGFSZSA-N 1 2 326.404 2.004 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1ccns1 ZINC001079790965 795198440 /nfs/dbraw/zinc/19/84/40/795198440.db2.gz JXHNYLRHDQUWTG-IAQYHMDHSA-N 1 2 344.415 2.404 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1ccns1 ZINC001079790965 795198445 /nfs/dbraw/zinc/19/84/45/795198445.db2.gz JXHNYLRHDQUWTG-IAQYHMDHSA-N 1 2 344.415 2.404 20 30 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ZINC001079934670 795361862 /nfs/dbraw/zinc/36/18/62/795361862.db2.gz UTAQHRZAMSMVES-MLGOLLRUSA-N 1 2 326.425 2.265 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106303862 795370449 /nfs/dbraw/zinc/37/04/49/795370449.db2.gz CHSGIKBQWWMHNS-SGTLLEGYSA-N 1 2 332.448 2.296 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)Cc3ccco3)CC2)C1 ZINC001093581519 795392990 /nfs/dbraw/zinc/39/29/90/795392990.db2.gz NSRVEMGZOSEDMF-OAHLLOKOSA-N 1 2 332.444 2.336 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3(C4CC4)CCOCC3)CC2)C1 ZINC001093557116 795411189 /nfs/dbraw/zinc/41/11/89/795411189.db2.gz LTMPMEUVHMSDBA-UHFFFAOYSA-N 1 2 348.487 2.071 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)Cc3c(C)noc3C)CC2)C1 ZINC001093595551 795434819 /nfs/dbraw/zinc/43/48/19/795434819.db2.gz HXFHSZWOAZCTOL-UHFFFAOYSA-N 1 2 347.459 2.102 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC(N(CC)C(=O)CCCn2cc[nH+]c2)C1 ZINC001080027253 795503915 /nfs/dbraw/zinc/50/39/15/795503915.db2.gz YOQXRLMPTILIEQ-HZPDHXFCSA-N 1 2 346.475 2.181 20 30 EEEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)C1CCCC1 ZINC001077980390 795599900 /nfs/dbraw/zinc/59/99/00/795599900.db2.gz VAHHWKPAODIGHM-NSISKUIASA-N 1 2 340.467 2.026 20 30 EEEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)C1CCCC1 ZINC001077980390 795599905 /nfs/dbraw/zinc/59/99/05/795599905.db2.gz VAHHWKPAODIGHM-NSISKUIASA-N 1 2 340.467 2.026 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](C)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106537075 795783406 /nfs/dbraw/zinc/78/34/06/795783406.db2.gz JMEAEWNJCCAXED-HUUCEWRRSA-N 1 2 345.491 2.374 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](C)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106537075 795783412 /nfs/dbraw/zinc/78/34/12/795783412.db2.gz JMEAEWNJCCAXED-HUUCEWRRSA-N 1 2 345.491 2.374 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@@H+]1Cc1cncc(F)c1 ZINC000993204878 795891310 /nfs/dbraw/zinc/89/13/10/795891310.db2.gz GHYYSEGJJHMKAZ-MLGOLLRUSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1Cc1cncc(F)c1 ZINC000993204878 795891322 /nfs/dbraw/zinc/89/13/22/795891322.db2.gz GHYYSEGJJHMKAZ-MLGOLLRUSA-N 1 2 341.390 2.203 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ccc4ccccc4c3)nn2)C1 ZINC001094336030 796109421 /nfs/dbraw/zinc/10/94/21/796109421.db2.gz UOFBMZFEDCJCDC-UHFFFAOYSA-N 1 2 347.422 2.404 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CCCC(C)(C)C3)nn2)C1 ZINC001094340281 796115383 /nfs/dbraw/zinc/11/53/83/796115383.db2.gz GPYIURCVQHCWOB-AWEZNQCLSA-N 1 2 331.464 2.153 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001080798337 796390171 /nfs/dbraw/zinc/39/01/71/796390171.db2.gz BSWPKAAXXQGWCO-MLGOLLRUSA-N 1 2 349.862 2.191 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001080798337 796390175 /nfs/dbraw/zinc/39/01/75/796390175.db2.gz BSWPKAAXXQGWCO-MLGOLLRUSA-N 1 2 349.862 2.191 20 30 EEEDLO N#Cc1c(F)cccc1NCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001094656186 796521296 /nfs/dbraw/zinc/52/12/96/796521296.db2.gz IGNKHOZIKKXRQK-CYBMUJFWSA-N 1 2 341.390 2.075 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001080965183 796523761 /nfs/dbraw/zinc/52/37/61/796523761.db2.gz VRPPMQHWZYUORI-QMTHXVAHSA-N 1 2 347.850 2.149 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001080965183 796523764 /nfs/dbraw/zinc/52/37/64/796523764.db2.gz VRPPMQHWZYUORI-QMTHXVAHSA-N 1 2 347.850 2.149 20 30 EEEDLO Cc1nc(NCCCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)ccc1C#N ZINC001094781800 796576627 /nfs/dbraw/zinc/57/66/27/796576627.db2.gz YYSQVCIPAJIEDY-AWEZNQCLSA-N 1 2 338.415 2.023 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cccc4ccccc43)CC2=O)C1 ZINC001094811795 796592288 /nfs/dbraw/zinc/59/22/88/796592288.db2.gz RUNNLNFDRULQCM-INIZCTEOSA-N 1 2 349.434 2.041 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnc(Cl)n2C)[C@@H]1C ZINC000993592359 796852702 /nfs/dbraw/zinc/85/27/02/796852702.db2.gz QFNKQQQWBSFZMO-QWRGUYRKSA-N 1 2 331.247 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C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn(CCC)nn2)[C@H]1C ZINC000994104161 797319381 /nfs/dbraw/zinc/31/93/81/797319381.db2.gz HOKPENVTIAAFPA-CHWSQXEVSA-N 1 2 325.844 2.023 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(CCC)nn2)[C@H]1C ZINC000994104161 797319386 /nfs/dbraw/zinc/31/93/86/797319386.db2.gz HOKPENVTIAAFPA-CHWSQXEVSA-N 1 2 325.844 2.023 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001082235983 797336422 /nfs/dbraw/zinc/33/64/22/797336422.db2.gz UFMDAAKTYHSJPL-ZBFHGGJFSA-N 1 2 346.475 2.360 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001082237131 797337613 /nfs/dbraw/zinc/33/76/13/797337613.db2.gz LYMOPEQFGFFULO-SJORKVTESA-N 1 2 346.475 2.373 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccn1)C2 ZINC001095096081 797339129 /nfs/dbraw/zinc/33/91/29/797339129.db2.gz BHCHJVHZUJDULL-NEWSRXKRSA-N 1 2 332.407 2.489 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccn1)C2 ZINC001095096081 797339137 /nfs/dbraw/zinc/33/91/37/797339137.db2.gz BHCHJVHZUJDULL-NEWSRXKRSA-N 1 2 332.407 2.489 20 30 EEEDLO C=CCC(CC=C)C(=O)N(CC)CCNc1[nH+]cnc2c1cnn2C ZINC001106854883 797413283 /nfs/dbraw/zinc/41/32/83/797413283.db2.gz LVGKDEUBVRXQNL-UHFFFAOYSA-N 1 2 342.447 2.392 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001095145394 797423679 /nfs/dbraw/zinc/42/36/79/797423679.db2.gz KWLCJKTZAJVXKJ-YJBOKZPZSA-N 1 2 332.448 2.051 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cnsn2)C3)s1 ZINC001095207584 797516515 /nfs/dbraw/zinc/51/65/15/797516515.db2.gz IHHWOHYFXJQCRP-LQJRIPTKSA-N 1 2 345.453 2.007 20 30 EEEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cnsn2)C3)s1 ZINC001095207584 797516518 /nfs/dbraw/zinc/51/65/18/797516518.db2.gz IHHWOHYFXJQCRP-LQJRIPTKSA-N 1 2 345.453 2.007 20 30 EEEDLO N#Cc1ccc(NC2CCN(C(=O)CCCn3cc[nH+]c3)CC2)cn1 ZINC001095230758 797562632 /nfs/dbraw/zinc/56/26/32/797562632.db2.gz JTHMMLBAMJXPKX-UHFFFAOYSA-N 1 2 338.415 2.033 20 30 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CCC(CC)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109251715 805193800 /nfs/dbraw/zinc/19/38/00/805193800.db2.gz HULLORWYRZLUEK-IKGGRYGDSA-N 1 2 347.503 2.062 20 30 EEEDLO CCC(CC)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109251715 805193804 /nfs/dbraw/zinc/19/38/04/805193804.db2.gz HULLORWYRZLUEK-IKGGRYGDSA-N 1 2 347.503 2.062 20 30 EEEDLO C#CCOc1ccc(C(=O)N[C@@H](C)CN(C)c2cc[nH+]c(C)n2)cc1 ZINC001109263112 805231411 /nfs/dbraw/zinc/23/14/11/805231411.db2.gz AWIJDWHCRUGPHS-AWEZNQCLSA-N 1 2 338.411 2.052 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)CC ZINC001109328863 805305442 /nfs/dbraw/zinc/30/54/42/805305442.db2.gz FJVJBDKZHLSIRG-RANZSIQMSA-N 1 2 347.503 2.391 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)CC ZINC001109328863 805305452 /nfs/dbraw/zinc/30/54/52/805305452.db2.gz FJVJBDKZHLSIRG-RANZSIQMSA-N 1 2 347.503 2.391 20 30 EEEDLO 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/nfs/dbraw/zinc/53/99/55/807539955.db2.gz MUZAKAWHNSSKEF-SFHVURJKSA-N 1 2 336.476 2.095 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2C)CC1 ZINC001113199576 808414921 /nfs/dbraw/zinc/41/49/21/808414921.db2.gz AXAIMUOYYJOWQG-KRWDZBQOSA-N 1 2 346.471 2.091 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+](C[C@H](O)COc2cccc(C)c2)CC1 ZINC001113200117 808415880 /nfs/dbraw/zinc/41/58/80/808415880.db2.gz XAYHZMCYHZJJGN-KRWDZBQOSA-N 1 2 346.471 2.091 20 30 EEEDLO C#CCCCCCC(=O)N1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC001113205570 808428663 /nfs/dbraw/zinc/42/86/63/808428663.db2.gz XHQYCYCFFKFWPL-AWEZNQCLSA-N 1 2 334.382 2.028 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C(=O)NC)cc2)CC1 ZINC001113226587 808484591 /nfs/dbraw/zinc/48/45/91/808484591.db2.gz HNWNNCPFXXHHJX-JKSUJKDBSA-N 1 2 343.471 2.149 20 30 EEEDLO Cc1cc(C#N)nc(N[C@H](C)[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)n1 ZINC001113350280 808762037 /nfs/dbraw/zinc/76/20/37/808762037.db2.gz QSXVVCSNRZWIHK-VXGBXAGGSA-N 1 2 349.398 2.152 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccns2)C1 ZINC001086591024 808893804 /nfs/dbraw/zinc/89/38/04/808893804.db2.gz OYEXDJIEVZQPBD-JKSUJKDBSA-N 1 2 325.437 2.364 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccns2)C1 ZINC001086591024 808893807 /nfs/dbraw/zinc/89/38/07/808893807.db2.gz OYEXDJIEVZQPBD-JKSUJKDBSA-N 1 2 325.437 2.364 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccoc2Br)CC1 ZINC001113495806 809081369 /nfs/dbraw/zinc/08/13/69/809081369.db2.gz YKOJTYYMAHTYPG-UHFFFAOYSA-N 1 2 343.221 2.003 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(OCC)c(OC)c2)CC1 ZINC001113622146 809379151 /nfs/dbraw/zinc/37/91/51/809379151.db2.gz LHXYVNLLNLVBDL-UHFFFAOYSA-N 1 2 348.443 2.054 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC001113712745 809618262 /nfs/dbraw/zinc/61/82/62/809618262.db2.gz DWVQHKRONDVRFK-INIZCTEOSA-N 1 2 332.444 2.239 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](C[C@@H](OC)c2ccccc2)CC1 ZINC001113713443 809618824 /nfs/dbraw/zinc/61/88/24/809618824.db2.gz QDSYEHHOEWRDOL-SJLPKXTDSA-N 1 2 332.444 2.109 20 30 EEEDLO Cc1nc(N(C)[C@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)ccc1C#N ZINC001113970095 810130517 /nfs/dbraw/zinc/13/05/17/810130517.db2.gz IMDRQUAQDNBBEO-GFCCVEGCSA-N 1 2 348.410 2.393 20 30 EEEDLO Cc1cc(N(C)[C@@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)c(C#N)cn1 ZINC001113970236 810131137 /nfs/dbraw/zinc/13/11/37/810131137.db2.gz LZOIRQPNTDYAAK-ZDUSSCGKSA-N 1 2 348.410 2.393 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)CC[C@H]1C ZINC001114006770 810182937 /nfs/dbraw/zinc/18/29/37/810182937.db2.gz YTPOBCATYQTVEX-GDBMZVCRSA-N 1 2 332.448 2.099 20 30 EEEDLO C#CCOCCC(=O)N(C)CC[C@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001114104544 810370249 /nfs/dbraw/zinc/37/02/49/810370249.db2.gz GWNNCFTXYZNHQM-INIZCTEOSA-N 1 2 332.448 2.110 20 30 EEEDLO N#Cc1ccc(NCC2(NC(=O)Cc3[nH]cc[nH+]3)CCCCC2)cn1 ZINC001114170031 810501093 /nfs/dbraw/zinc/50/10/93/810501093.db2.gz UPKAWMKFZABZKP-UHFFFAOYSA-N 1 2 338.415 2.150 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[NH+](Cc3ccc(OCC)cc3)CC2)c1 ZINC000806359084 811845277 /nfs/dbraw/zinc/84/52/77/811845277.db2.gz RCRRTTSMTPVHPZ-UHFFFAOYSA-N 1 2 349.434 2.420 20 30 EEEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C(C)(C)CC(C)C)CC1 ZINC001131393080 812784318 /nfs/dbraw/zinc/78/43/18/812784318.db2.gz LRUHCYNBUHCSPQ-UHFFFAOYSA-N 1 2 337.508 2.285 20 30 EEEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C(C)(C)CC(C)C)CC1 ZINC001131393080 812784326 /nfs/dbraw/zinc/78/43/26/812784326.db2.gz LRUHCYNBUHCSPQ-UHFFFAOYSA-N 1 2 337.508 2.285 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C#CC(C)(C)C)C[C@@H](C)O2 ZINC001131656824 813106375 /nfs/dbraw/zinc/10/63/75/813106375.db2.gz ADXJNRIXPCXJJF-CRAIPNDOSA-N 1 2 338.879 2.480 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C#CC(C)(C)C)C[C@@H](C)O2 ZINC001131656824 813106378 /nfs/dbraw/zinc/10/63/78/813106378.db2.gz ADXJNRIXPCXJJF-CRAIPNDOSA-N 1 2 338.879 2.480 20 30 EEEDLO Cc1cc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)nn1-c1cccc(C#N)c1 ZINC001566257657 1125593197 /nfs/dbraw/zinc/59/31/97/1125593197.db2.gz CIWKXBQOEACABO-UHFFFAOYSA-N 1 2 334.383 2.322 20 30 EEEDLO C[N@H+](CCNC(=O)C[C@@H]1CCCCO1)Cc1ccc(C#N)cc1F ZINC001437460835 1089779486 /nfs/dbraw/zinc/77/94/86/1089779486.db2.gz XSCAIPDTYKFVGI-INIZCTEOSA-N 1 2 333.407 2.205 20 30 EEEDLO C[N@@H+](CCNC(=O)C[C@@H]1CCCCO1)Cc1ccc(C#N)cc1F ZINC001437460835 1089779496 /nfs/dbraw/zinc/77/94/96/1089779496.db2.gz XSCAIPDTYKFVGI-INIZCTEOSA-N 1 2 333.407 2.205 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC001442596313 1096966069 /nfs/dbraw/zinc/96/60/69/1096966069.db2.gz ASVWTZKAGZYPAM-NSHDSACASA-N 1 2 326.872 2.016 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC001442596313 1096966073 /nfs/dbraw/zinc/96/60/73/1096966073.db2.gz ASVWTZKAGZYPAM-NSHDSACASA-N 1 2 326.872 2.016 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCc1c(C)nn(C)c1C ZINC001442690455 1097058469 /nfs/dbraw/zinc/05/84/69/1097058469.db2.gz KCLGHAQJJBSQKC-UHFFFAOYSA-N 1 2 326.872 2.160 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCc1c(C)nn(C)c1C ZINC001442690455 1097058476 /nfs/dbraw/zinc/05/84/76/1097058476.db2.gz KCLGHAQJJBSQKC-UHFFFAOYSA-N 1 2 326.872 2.160 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cnoc1-c1cnn(C)c1)C1CC1 ZINC001443030662 1097437729 /nfs/dbraw/zinc/43/77/29/1097437729.db2.gz IJKDTIYWVIPLNM-UHFFFAOYSA-N 1 2 349.822 2.022 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cnoc1-c1cnn(C)c1)C1CC1 ZINC001443030662 1097437732 /nfs/dbraw/zinc/43/77/32/1097437732.db2.gz IJKDTIYWVIPLNM-UHFFFAOYSA-N 1 2 349.822 2.022 20 30 EEEDLO C[C@@H](C#N)C(=O)NC1C[NH+](CCn2ccc3cc(Cl)ccc32)C1 ZINC001443459248 1097961798 /nfs/dbraw/zinc/96/17/98/1097961798.db2.gz JAJQCYHZWHJIGS-LBPRGKRZSA-N 1 2 330.819 2.255 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1cnn(C)c1Cl ZINC001496729494 1101354771 /nfs/dbraw/zinc/35/47/71/1101354771.db2.gz JJPLWTIDKFRMOH-UHFFFAOYSA-N 1 2 345.834 2.149 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1cnn(C)c1Cl ZINC001496729494 1101354784 /nfs/dbraw/zinc/35/47/84/1101354784.db2.gz JJPLWTIDKFRMOH-UHFFFAOYSA-N 1 2 345.834 2.149 20 30 EEEDLO COCC1(CC(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001494553910 1104144225 /nfs/dbraw/zinc/14/42/25/1104144225.db2.gz ORAWPJVCOPRVPS-UHFFFAOYSA-N 1 2 345.418 2.062 20 30 EEEDLO C[C@H](C#N)C(=O)NCC[N@H+](CC(=O)Nc1cccc(Cl)c1)C1CC1 ZINC001493356300 1107978421 /nfs/dbraw/zinc/97/84/21/1107978421.db2.gz GHSTXCSZVKGQDJ-GFCCVEGCSA-N 1 2 348.834 2.019 20 30 EEEDLO C[C@H](C#N)C(=O)NCC[N@@H+](CC(=O)Nc1cccc(Cl)c1)C1CC1 ZINC001493356300 1107978431 /nfs/dbraw/zinc/97/84/31/1107978431.db2.gz GHSTXCSZVKGQDJ-GFCCVEGCSA-N 1 2 348.834 2.019 20 30 EEEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC001473685373 1110578763 /nfs/dbraw/zinc/57/87/63/1110578763.db2.gz UYEFAQFRDFGKCE-QLJPJBMISA-N 1 2 336.351 2.282 20 30 EEEDLO COc1cc([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)ccc1S(C)(=O)=O ZINC001473897375 1110584978 /nfs/dbraw/zinc/58/49/78/1110584978.db2.gz XXGAQVDUTJWOFJ-OLZOCXBDSA-N 1 2 335.429 2.193 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](O)(CNC(=O)CCCC2CC2)C1 ZINC001500711304 1113038166 /nfs/dbraw/zinc/03/81/66/1113038166.db2.gz WFJAZAGVIRBJEP-OAHLLOKOSA-N 1 2 345.281 2.028 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](O)(CNC(=O)CCCC2CC2)C1 ZINC001500711304 1113038170 /nfs/dbraw/zinc/03/81/70/1113038170.db2.gz WFJAZAGVIRBJEP-OAHLLOKOSA-N 1 2 345.281 2.028 20 30 EEEDLO CON=Cc1ccc(C(=O)N2CCC[C@H](c3c[nH+]cn3C)C2)cc1 ZINC001551829972 1124636471 /nfs/dbraw/zinc/63/64/71/1124636471.db2.gz FHUXXIQTKRTNAY-INIZCTEOSA-N 1 2 326.400 2.420 20 30 EEEDLO N#CC1(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CCCC1 ZINC000068017086 215270603 /nfs/dbraw/zinc/27/06/03/215270603.db2.gz SACJUSPLMVCDSX-UHFFFAOYSA-N 1 2 337.427 2.062 20 30 EEEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@H](C)C(=O)N2CCCCC2)on1 ZINC000328752629 539759961 /nfs/dbraw/zinc/75/99/61/539759961.db2.gz NLEGBJKLDYFPCQ-CABCVRRESA-N 1 2 348.447 2.477 20 30 EEEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](C)C(=O)N2CCCCC2)on1 ZINC000328752629 539759965 /nfs/dbraw/zinc/75/99/65/539759965.db2.gz NLEGBJKLDYFPCQ-CABCVRRESA-N 1 2 348.447 2.477 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000193158827 237371100 /nfs/dbraw/zinc/37/11/00/237371100.db2.gz SWXAMQAXEAJELC-AWEZNQCLSA-N 1 2 349.862 2.384 20 30 EEEDLO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1nnc2ccccn21 ZINC000193153125 237372144 /nfs/dbraw/zinc/37/21/44/237372144.db2.gz GLCMMQZYCGNBFA-HNNXBMFYSA-N 1 2 348.410 2.327 20 30 EEEDLO Cc1nn(C)c(C)c1NC(=O)CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000330264374 238188812 /nfs/dbraw/zinc/18/88/12/238188812.db2.gz XWEDFNRACVNYOM-UHFFFAOYSA-N 1 2 330.436 2.290 20 30 EEEDLO C[C@@H](C(=O)NCC1(C#N)CCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000416346921 239195609 /nfs/dbraw/zinc/19/56/09/239195609.db2.gz NHTVXFXVPNKXET-HNNXBMFYSA-N 1 2 344.434 2.146 20 30 EEEDLO COC(=O)CC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000426418025 241281814 /nfs/dbraw/zinc/28/18/14/241281814.db2.gz DSOORTGFINASFI-UHFFFAOYSA-N 1 2 349.456 2.450 20 30 EEEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1nc2c(s1)CCC2 ZINC000459631948 245194007 /nfs/dbraw/zinc/19/40/07/245194007.db2.gz MLFDLZDQBDWRSE-MEBBXXQBSA-N 1 2 326.425 2.381 20 30 EEEDLO C#CC[N@@H+](CC(=O)Nc1ccc(/C=C/C(=O)OCC)cc1)C1CC1 ZINC000491626906 246089145 /nfs/dbraw/zinc/08/91/45/246089145.db2.gz MZCPCLFMGCBGRW-KPKJPENVSA-N 1 2 326.396 2.299 20 30 EEEDLO C#CC[N@H+](CC(=O)Nc1ccc(/C=C/C(=O)OCC)cc1)C1CC1 ZINC000491626906 246089152 /nfs/dbraw/zinc/08/91/52/246089152.db2.gz MZCPCLFMGCBGRW-KPKJPENVSA-N 1 2 326.396 2.299 20 30 EEEDLO C#CCn1ccc(CN(CC)C(=O)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000491630268 533213540 /nfs/dbraw/zinc/21/35/40/533213540.db2.gz PYGYPNZCSOKWFZ-UHFFFAOYSA-N 1 2 333.395 2.364 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)C[C@H]2CN(c3ccccc3)C(=O)O2)n1 ZINC000491554380 533215941 /nfs/dbraw/zinc/21/59/41/533215941.db2.gz IPALVEGQLFXXQS-SFHVURJKSA-N 1 2 338.411 2.364 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)C[C@H]2CN(c3ccccc3)C(=O)O2)n1 ZINC000491554380 533215946 /nfs/dbraw/zinc/21/59/46/533215946.db2.gz IPALVEGQLFXXQS-SFHVURJKSA-N 1 2 338.411 2.364 20 30 EEEDLO CC(C)N1CCC[C@@H](N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000267174718 256034375 /nfs/dbraw/zinc/03/43/75/256034375.db2.gz WHRLBKYXEVHOPH-LJQANCHMSA-N 1 2 340.471 2.075 20 30 EEEDLO CC(C)N1CCC[C@H](N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000267174715 256034392 /nfs/dbraw/zinc/03/43/92/256034392.db2.gz WHRLBKYXEVHOPH-IBGZPJMESA-N 1 2 340.471 2.075 20 30 EEEDLO Cc1oc(NC(=O)C[NH+]2CCC(C3(C)OCCO3)CC2)c(C#N)c1C ZINC000268098297 256112956 /nfs/dbraw/zinc/11/29/56/256112956.db2.gz KFYGCUDINJBCGM-UHFFFAOYSA-N 1 2 347.415 2.182 20 30 EEEDLO C[C@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CCN1CC(F)(F)F ZINC000270787116 256172409 /nfs/dbraw/zinc/17/24/09/256172409.db2.gz UXCBCYSTNLQLFO-WFASDCNBSA-N 1 2 327.350 2.160 20 30 EEEDLO C[C@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CCN1CC(F)(F)F ZINC000270787116 256172410 /nfs/dbraw/zinc/17/24/10/256172410.db2.gz UXCBCYSTNLQLFO-WFASDCNBSA-N 1 2 327.350 2.160 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cc(C(N)=O)cs3)CC2)cc1 ZINC000271046262 256202502 /nfs/dbraw/zinc/20/25/02/256202502.db2.gz RIBGZVIIPZUVON-UHFFFAOYSA-N 1 2 340.452 2.036 20 30 EEEDLO N#Cc1ccc(CN2CC[NH+](Cc3cc(C(N)=O)cs3)CC2)cc1 ZINC000271046262 256202503 /nfs/dbraw/zinc/20/25/03/256202503.db2.gz RIBGZVIIPZUVON-UHFFFAOYSA-N 1 2 340.452 2.036 20 30 EEEDLO COC[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(C)o1 ZINC000273505313 256302519 /nfs/dbraw/zinc/30/25/19/256302519.db2.gz NJIMUMJVBKECDQ-INIZCTEOSA-N 1 2 327.384 2.053 20 30 EEEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O ZINC000491689988 533285929 /nfs/dbraw/zinc/28/59/29/533285929.db2.gz LBMZAVPHWFDETR-MGPLVRAMSA-N 1 2 337.782 2.157 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O ZINC000491689988 533285932 /nfs/dbraw/zinc/28/59/32/533285932.db2.gz LBMZAVPHWFDETR-MGPLVRAMSA-N 1 2 337.782 2.157 20 30 EEEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccon1 ZINC000347865442 143652944 /nfs/dbraw/zinc/65/29/44/143652944.db2.gz XJKZQFRAUVOJSI-AWEZNQCLSA-N 1 2 339.399 2.135 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NCCC[NH+]2CCC(C)CC2)cc1C#N ZINC000079138521 159128993 /nfs/dbraw/zinc/12/89/93/159128993.db2.gz LEOZYOXHGFMXIV-UHFFFAOYSA-N 1 2 348.472 2.233 20 30 EEEDLO CCN(CC)C(=O)CN1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000191934055 160164559 /nfs/dbraw/zinc/16/45/59/160164559.db2.gz ZNCBDZOUWQEPQX-UHFFFAOYSA-N 1 2 346.450 2.073 20 30 EEEDLO CCN(CC)C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000191934055 160164560 /nfs/dbraw/zinc/16/45/60/160164560.db2.gz ZNCBDZOUWQEPQX-UHFFFAOYSA-N 1 2 346.450 2.073 20 30 EEEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCCn1cc[nH+]c1 ZINC000342382344 161061439 /nfs/dbraw/zinc/06/14/39/161061439.db2.gz BXHJDGLDMIZTIG-QGZVFWFLSA-N 1 2 326.400 2.365 20 30 EEEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)c1cccc(C#N)c1 ZINC000359908791 164195064 /nfs/dbraw/zinc/19/50/64/164195064.db2.gz HQFLVIDSKBPGCF-INIZCTEOSA-N 1 2 334.423 2.401 20 30 EEEDLO C[C@@H](C(=O)N1CC[NH+](Cc2cccnc2)CC1)c1cccc(C#N)c1 ZINC000359920426 164196453 /nfs/dbraw/zinc/19/64/53/164196453.db2.gz ZOSUQCOPPOAOSB-MRXNPFEDSA-N 1 2 334.423 2.401 20 30 EEEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc([S@](C)=O)cc1 ZINC000360209457 164258198 /nfs/dbraw/zinc/25/81/98/164258198.db2.gz PWGWBMDFUOZGEK-BLPFDFMYSA-N 1 2 341.436 2.173 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000374889468 167062175 /nfs/dbraw/zinc/06/21/75/167062175.db2.gz CLWIJGIUPKYZLX-IBGZPJMESA-N 1 2 339.370 2.229 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000374889468 167062176 /nfs/dbraw/zinc/06/21/76/167062176.db2.gz CLWIJGIUPKYZLX-IBGZPJMESA-N 1 2 339.370 2.229 20 30 EEEDLO C[C@@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCOC1 ZINC000272599945 269865294 /nfs/dbraw/zinc/86/52/94/269865294.db2.gz DZUXUHYMIKCHHX-LJQANCHMSA-N 1 2 327.428 2.019 20 30 EEEDLO N#Cc1ccc(CS(=O)(=O)Cc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000437245009 270020224 /nfs/dbraw/zinc/02/02/24/270020224.db2.gz OAMPMNRPTWUNHB-UHFFFAOYSA-N 1 2 343.330 2.432 20 30 EEEDLO N#Cc1cccc(F)c1CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000505591948 270021586 /nfs/dbraw/zinc/02/15/86/270021586.db2.gz VXLOJBXLYVUXBO-UHFFFAOYSA-N 1 2 326.375 2.132 20 30 EEEDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000331300389 266110888 /nfs/dbraw/zinc/11/08/88/266110888.db2.gz QYLHHRQAFBWVSG-UHFFFAOYSA-N 1 2 334.851 2.202 20 30 EEEDLO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000295721884 266256551 /nfs/dbraw/zinc/25/65/51/266256551.db2.gz VJKKUJDYZSUCTM-JBEBIEQOSA-N 1 2 348.468 2.395 20 30 EEEDLO CCC(=O)Nc1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000522378438 266992515 /nfs/dbraw/zinc/99/25/15/266992515.db2.gz ZKILNTSSSUYOKI-GOSISDBHSA-N 1 2 336.395 2.223 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000286998727 267089923 /nfs/dbraw/zinc/08/99/23/267089923.db2.gz MRRAPWGWYDHQEC-DOMZBBRYSA-N 1 2 332.379 2.024 20 30 EEEDLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000331933517 267129912 /nfs/dbraw/zinc/12/99/12/267129912.db2.gz ORXRKUQTLDETKQ-MRXNPFEDSA-N 1 2 340.471 2.123 20 30 EEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC000331933517 267129915 /nfs/dbraw/zinc/12/99/15/267129915.db2.gz ORXRKUQTLDETKQ-MRXNPFEDSA-N 1 2 340.471 2.123 20 30 EEEDLO C[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1nc2ccccc2o1 ZINC000431607676 267298026 /nfs/dbraw/zinc/29/80/26/267298026.db2.gz IPHDZVLYZIVVBH-UHFFFAOYSA-N 1 2 334.379 2.448 20 30 EEEDLO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1nc2ccccc2o1 ZINC000431607676 267298030 /nfs/dbraw/zinc/29/80/30/267298030.db2.gz IPHDZVLYZIVVBH-UHFFFAOYSA-N 1 2 334.379 2.448 20 30 EEEDLO CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)c1ccc(C#N)o1 ZINC000432283550 267326314 /nfs/dbraw/zinc/32/63/14/267326314.db2.gz IIJIWGCOUKTYFT-OAHLLOKOSA-N 1 2 342.380 2.284 20 30 EEEDLO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1F ZINC000289774607 268144537 /nfs/dbraw/zinc/14/45/37/268144537.db2.gz MJRJOVARUGQDTP-UHFFFAOYSA-N 1 2 339.374 2.442 20 30 EEEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000528352275 268301657 /nfs/dbraw/zinc/30/16/57/268301657.db2.gz SVHVUEFGVSKZRD-QUCCMNQESA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000528352275 268301658 /nfs/dbraw/zinc/30/16/58/268301658.db2.gz SVHVUEFGVSKZRD-QUCCMNQESA-N 1 2 338.407 2.371 20 30 EEEDLO CCc1cc(N)nc(SC[C@H](O)COc2ccc(C#N)cc2)[nH+]1 ZINC000279031477 269257856 /nfs/dbraw/zinc/25/78/56/269257856.db2.gz DLWGZQHJXHMIIX-CYBMUJFWSA-N 1 2 330.413 2.025 20 30 EEEDLO N#Cc1c(C#N)c2c(nc1NCC[NH+]1CCOCC1)CCCCCC2 ZINC000280129537 269330164 /nfs/dbraw/zinc/33/01/64/269330164.db2.gz XQWAIGPXJIUGMV-UHFFFAOYSA-N 1 2 339.443 2.228 20 30 EEEDLO COCC[NH+](CCOC)Cc1cc(C#N)ccc1Br ZINC000191772322 274052014 /nfs/dbraw/zinc/05/20/14/274052014.db2.gz CIEOYQZCMQMKON-UHFFFAOYSA-N 1 2 327.222 2.416 20 30 EEEDLO Cc1nc(N2CCN(c3nccnc3C#N)C[C@H]2C)c2c([nH+]1)CCCC2 ZINC000272903826 282010386 /nfs/dbraw/zinc/01/03/86/282010386.db2.gz QEBUMDZOWPYRSJ-CYBMUJFWSA-N 1 2 349.442 2.041 20 30 EEEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cnn(C)c2C#N)CC1 ZINC000357377670 282076815 /nfs/dbraw/zinc/07/68/15/282076815.db2.gz GEDRLQGTJCZPBK-UHFFFAOYSA-N 1 2 348.410 2.427 20 30 EEEDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)o1 ZINC000544520850 318189415 /nfs/dbraw/zinc/18/94/15/318189415.db2.gz ZBBDTJUORJSTBC-RKDXNWHRSA-N 1 2 345.428 2.478 20 30 EEEDLO N#Cc1cccc(CCNC(=O)N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000564701620 319102225 /nfs/dbraw/zinc/10/22/25/319102225.db2.gz AOLZPWFWTFYYNV-UHFFFAOYSA-N 1 2 349.438 2.023 20 30 EEEDLO COCCOc1ccc(C#N)cc1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000184439206 323423535 /nfs/dbraw/zinc/42/35/35/323423535.db2.gz PHVVVYIWTFAUEK-UHFFFAOYSA-N 1 2 336.351 2.483 20 30 EEEDLO C[C@H](NC(=O)NC[C@@H]1CCCn2cc[nH+]c21)C(=O)N1CCCC[C@@H]1C ZINC000328612893 465071812 /nfs/dbraw/zinc/07/18/12/465071812.db2.gz PWPAUEIRMONAHG-KKUMJFAQSA-N 1 2 347.463 2.054 20 30 EEEDLO C[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000328697107 465102572 /nfs/dbraw/zinc/10/25/72/465102572.db2.gz HBOZOXNNNSIKSY-OEAJRASXSA-N 1 2 337.443 2.025 20 30 EEEDLO C[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000328697107 465102577 /nfs/dbraw/zinc/10/25/77/465102577.db2.gz HBOZOXNNNSIKSY-OEAJRASXSA-N 1 2 337.443 2.025 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc3c(c2)N(C)CCO3)C1 ZINC000328781001 465126676 /nfs/dbraw/zinc/12/66/76/465126676.db2.gz FNMIVITZPHWBIG-ZDUSSCGKSA-N 1 2 341.415 2.284 20 30 EEEDLO O=C(NC1CCN(CC(F)(F)F)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328952550 465179341 /nfs/dbraw/zinc/17/93/41/465179341.db2.gz LZSVKCRNOQUKKI-LLVKDONJSA-N 1 2 330.354 2.429 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1[C@H](c2ccccc2)COC[C@@H]1C ZINC000354878812 465208223 /nfs/dbraw/zinc/20/82/23/465208223.db2.gz PSTDUJOPVQOIMU-RYRKJORJSA-N 1 2 329.444 2.457 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1[C@H](c2ccccc2)COC[C@@H]1C ZINC000354878812 465208227 /nfs/dbraw/zinc/20/82/27/465208227.db2.gz PSTDUJOPVQOIMU-RYRKJORJSA-N 1 2 329.444 2.457 20 30 EEEDLO C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329080457 465226354 /nfs/dbraw/zinc/22/63/54/465226354.db2.gz RJMKTILHUNCULN-APWZRJJASA-N 1 2 332.444 2.456 20 30 EEEDLO C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000329080457 465226358 /nfs/dbraw/zinc/22/63/58/465226358.db2.gz RJMKTILHUNCULN-APWZRJJASA-N 1 2 332.444 2.456 20 30 EEEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cnc3c(Br)cccn23)C1 ZINC000329195786 465264146 /nfs/dbraw/zinc/26/41/46/465264146.db2.gz UKHGKLUBXMXNFQ-SNVBAGLBSA-N 1 2 339.193 2.015 20 30 EEEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2cnc3c(Br)cccn23)C1 ZINC000329195786 465264150 /nfs/dbraw/zinc/26/41/50/465264150.db2.gz UKHGKLUBXMXNFQ-SNVBAGLBSA-N 1 2 339.193 2.015 20 30 EEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000355857354 465275690 /nfs/dbraw/zinc/27/56/90/465275690.db2.gz MOKHGXNNNUCRAI-CQSZACIVSA-N 1 2 330.432 2.330 20 30 EEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000355857354 465275695 /nfs/dbraw/zinc/27/56/95/465275695.db2.gz MOKHGXNNNUCRAI-CQSZACIVSA-N 1 2 330.432 2.330 20 30 EEEDLO CC[C@](C)(C#N)C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000351671762 465284414 /nfs/dbraw/zinc/28/44/14/465284414.db2.gz KENUOHHGERTBEL-QGZVFWFLSA-N 1 2 327.388 2.278 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)c(F)c1 ZINC000063508268 462650520 /nfs/dbraw/zinc/65/05/20/462650520.db2.gz RYURJEWVCVECFD-UHFFFAOYSA-N 1 2 344.434 2.222 20 30 EEEDLO CO[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000074931229 462656019 /nfs/dbraw/zinc/65/60/19/462656019.db2.gz YDFBSYOOPQCYRF-SFHVURJKSA-N 1 2 344.459 2.056 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2CC(=C)C)CC1 ZINC000491156172 468311932 /nfs/dbraw/zinc/31/19/32/468311932.db2.gz YNGZZOHXKIRAIC-UHFFFAOYSA-N 1 2 341.484 2.262 20 30 EEEDLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115543083 462718743 /nfs/dbraw/zinc/71/87/43/462718743.db2.gz BBEIODGDRFNJLK-WMZOPIPTSA-N 1 2 337.427 2.272 20 30 EEEDLO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115543083 462718747 /nfs/dbraw/zinc/71/87/47/462718747.db2.gz BBEIODGDRFNJLK-WMZOPIPTSA-N 1 2 337.427 2.272 20 30 EEEDLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C2CC2)o1 ZINC000130849158 462779175 /nfs/dbraw/zinc/77/91/75/462779175.db2.gz WQSRLOUTKUHXLP-CRAIPNDOSA-N 1 2 331.416 2.371 20 30 EEEDLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)o1 ZINC000130849158 462779181 /nfs/dbraw/zinc/77/91/81/462779181.db2.gz WQSRLOUTKUHXLP-CRAIPNDOSA-N 1 2 331.416 2.371 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117758245 462812483 /nfs/dbraw/zinc/81/24/83/462812483.db2.gz VJAPXPAGGMBGFN-HZPDHXFCSA-N 1 2 346.450 2.344 20 30 EEEDLO C[C@H](CC#N)N(C)C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117789339 462812919 /nfs/dbraw/zinc/81/29/19/462812919.db2.gz PBTVBZVLLPVRDU-CABCVRRESA-N 1 2 332.423 2.097 20 30 EEEDLO C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000132371004 462851659 /nfs/dbraw/zinc/85/16/59/462851659.db2.gz FYSFOKKHDLSKJD-NSHDSACASA-N 1 2 339.399 2.150 20 30 EEEDLO COc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1F ZINC000155597697 462915860 /nfs/dbraw/zinc/91/58/60/462915860.db2.gz JQHQRLZCBLWXQE-ZDUSSCGKSA-N 1 2 341.390 2.207 20 30 EEEDLO COc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1F ZINC000155597697 462915865 /nfs/dbraw/zinc/91/58/65/462915865.db2.gz JQHQRLZCBLWXQE-ZDUSSCGKSA-N 1 2 341.390 2.207 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000077388167 462978313 /nfs/dbraw/zinc/97/83/13/462978313.db2.gz UYXDWLSLCWVTSI-UHFFFAOYSA-N 1 2 330.413 2.089 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3n[nH]c4ccccc43)CC2)cc1 ZINC000017844022 463002622 /nfs/dbraw/zinc/00/26/22/463002622.db2.gz SIJRROQAYPHKBA-UHFFFAOYSA-N 1 2 345.406 2.393 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000052660173 463098373 /nfs/dbraw/zinc/09/83/73/463098373.db2.gz UQQMWGBJQDEFHJ-HNNXBMFYSA-N 1 2 348.878 2.218 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000052660173 463098375 /nfs/dbraw/zinc/09/83/75/463098375.db2.gz UQQMWGBJQDEFHJ-HNNXBMFYSA-N 1 2 348.878 2.218 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)CCCCC#N ZINC000068873442 463185005 /nfs/dbraw/zinc/18/50/05/463185005.db2.gz JVFNWNJGTLJCSR-UHFFFAOYSA-N 1 2 334.445 2.348 20 30 EEEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3cn[nH]c3)CC2)c(C#N)c1C ZINC000097202782 463347709 /nfs/dbraw/zinc/34/77/09/463347709.db2.gz LRBWCBZDYUGGLT-UHFFFAOYSA-N 1 2 327.388 2.309 20 30 EEEDLO CCn1cnnc1C[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000147165155 463392037 /nfs/dbraw/zinc/39/20/37/463392037.db2.gz AMIXYHAVEGOAOA-UHFFFAOYSA-N 1 2 329.404 2.279 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000042331746 463556308 /nfs/dbraw/zinc/55/63/08/463556308.db2.gz RSPIKZPRDSGDND-QGZVFWFLSA-N 1 2 343.471 2.258 20 30 EEEDLO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2cc(C#N)cs2)C[C@@H](C)O1 ZINC000084183072 463583307 /nfs/dbraw/zinc/58/33/07/463583307.db2.gz DZUWKSJJSNUVNU-NFAWXSAZSA-N 1 2 333.457 2.334 20 30 EEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCC(=O)N(C)Cc1ccccc1F ZINC000177612771 463749645 /nfs/dbraw/zinc/74/96/45/463749645.db2.gz FQAILSOOKWAXAR-CYBMUJFWSA-N 1 2 339.411 2.134 20 30 EEEDLO CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CCc2[nH]cc[nH+]2)C1=O ZINC000286968137 463758234 /nfs/dbraw/zinc/75/82/34/463758234.db2.gz DRLXTEQSSKJBMU-KRWDZBQOSA-N 1 2 349.435 2.045 20 30 EEEDLO CCOc1ccc(OCCN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000268692346 463788079 /nfs/dbraw/zinc/78/80/79/463788079.db2.gz OODRWBFFNAYMPS-UHFFFAOYSA-N 1 2 347.459 2.012 20 30 EEEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)NC2CCC(C)CC2)cs1 ZINC000178144750 463852289 /nfs/dbraw/zinc/85/22/89/463852289.db2.gz GXRFAPAHDKSJCU-QWKFWESOSA-N 1 2 338.477 2.366 20 30 EEEDLO CN1CC[N@H+](C)[C@@H](CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC000287605009 463942415 /nfs/dbraw/zinc/94/24/15/463942415.db2.gz YMIWUXLHIAHGPG-NSHDSACASA-N 1 2 349.360 2.181 20 30 EEEDLO CN1CC[N@@H+](C)[C@@H](CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC000287605009 463942418 /nfs/dbraw/zinc/94/24/18/463942418.db2.gz YMIWUXLHIAHGPG-NSHDSACASA-N 1 2 349.360 2.181 20 30 EEEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000186281149 463967745 /nfs/dbraw/zinc/96/77/45/463967745.db2.gz DWFXQHSNMLGKEN-SJORKVTESA-N 1 2 340.471 2.248 20 30 EEEDLO C[C@H](c1cccc(C#N)c1)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000186281149 463967749 /nfs/dbraw/zinc/96/77/49/463967749.db2.gz DWFXQHSNMLGKEN-SJORKVTESA-N 1 2 340.471 2.248 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000195040710 463980271 /nfs/dbraw/zinc/98/02/71/463980271.db2.gz NIYVMNZBSHMRTR-UHFFFAOYSA-N 1 2 331.397 2.305 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278889911 464006457 /nfs/dbraw/zinc/00/64/57/464006457.db2.gz QFULFOUBPXTKBG-RDTXWAMCSA-N 1 2 348.422 2.118 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278889911 464006465 /nfs/dbraw/zinc/00/64/65/464006465.db2.gz QFULFOUBPXTKBG-RDTXWAMCSA-N 1 2 348.422 2.118 20 30 EEEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000198667887 464092453 /nfs/dbraw/zinc/09/24/53/464092453.db2.gz YLQUJSIATPWFLC-UHFFFAOYSA-N 1 2 341.864 2.340 20 30 EEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1cncc(C#N)c1 ZINC000290160516 464109815 /nfs/dbraw/zinc/10/98/15/464109815.db2.gz OOPTYGGISYJJOQ-OAHLLOKOSA-N 1 2 345.428 2.086 20 30 EEEDLO COc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269864449 464114742 /nfs/dbraw/zinc/11/47/42/464114742.db2.gz PFIZZQGMOBEYNP-AWEZNQCLSA-N 1 2 337.383 2.362 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000279750131 464141478 /nfs/dbraw/zinc/14/14/78/464141478.db2.gz QDONMPGTTUMAHM-JSGCOSHPSA-N 1 2 345.260 2.173 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000279750131 464141483 /nfs/dbraw/zinc/14/14/83/464141483.db2.gz QDONMPGTTUMAHM-JSGCOSHPSA-N 1 2 345.260 2.173 20 30 EEEDLO CC[N@@H+](CC(=O)NCCc1nc2ccccc2s1)C[C@@H](C)C#N ZINC000173241243 464218149 /nfs/dbraw/zinc/21/81/49/464218149.db2.gz CLMALMHUHLGLNY-ZDUSSCGKSA-N 1 2 330.457 2.437 20 30 EEEDLO CC[N@H+](CC(=O)NCCc1nc2ccccc2s1)C[C@@H](C)C#N ZINC000173241243 464218157 /nfs/dbraw/zinc/21/81/57/464218157.db2.gz CLMALMHUHLGLNY-ZDUSSCGKSA-N 1 2 330.457 2.437 20 30 EEEDLO C[C@@H](NC(=O)Nc1ccccc1O[C@@H](C)C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000180094000 464239901 /nfs/dbraw/zinc/23/99/01/464239901.db2.gz BCEGQGICAGIUPU-RRFJBIMHSA-N 1 2 346.431 2.208 20 30 EEEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3ccc(CC#N)cc3)CC2)S1 ZINC000270339136 464252215 /nfs/dbraw/zinc/25/22/15/464252215.db2.gz NYGXPYRXALEVRA-CYBMUJFWSA-N 1 2 328.441 2.002 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000281219658 464376031 /nfs/dbraw/zinc/37/60/31/464376031.db2.gz DRKAODPOCDYRBX-XJKSGUPXSA-N 1 2 349.862 2.236 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000281219658 464376038 /nfs/dbraw/zinc/37/60/38/464376038.db2.gz DRKAODPOCDYRBX-XJKSGUPXSA-N 1 2 349.862 2.236 20 30 EEEDLO CCCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000245199991 464467859 /nfs/dbraw/zinc/46/78/59/464467859.db2.gz GIVRRIMUDCOOND-CVEARBPZSA-N 1 2 348.491 2.098 20 30 EEEDLO CCCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000245199991 464467863 /nfs/dbraw/zinc/46/78/63/464467863.db2.gz GIVRRIMUDCOOND-CVEARBPZSA-N 1 2 348.491 2.098 20 30 EEEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000245477884 464486417 /nfs/dbraw/zinc/48/64/17/464486417.db2.gz UVHFDKXVYGXNFJ-ADCPOJHVSA-N 1 2 347.484 2.225 20 30 EEEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000245477884 464486422 /nfs/dbraw/zinc/48/64/22/464486422.db2.gz UVHFDKXVYGXNFJ-ADCPOJHVSA-N 1 2 347.484 2.225 20 30 EEEDLO COc1ccc(C[N@@H+]2CCN(C)C(=O)[C@H]2C)cc1OCCCC#N ZINC000190092199 464596078 /nfs/dbraw/zinc/59/60/78/464596078.db2.gz JLOWGCXYXJTUDN-CQSZACIVSA-N 1 2 331.416 2.040 20 30 EEEDLO COc1ccc(C[N@H+]2CCN(C)C(=O)[C@H]2C)cc1OCCCC#N ZINC000190092199 464596085 /nfs/dbraw/zinc/59/60/85/464596085.db2.gz JLOWGCXYXJTUDN-CQSZACIVSA-N 1 2 331.416 2.040 20 30 EEEDLO CCC(CC)[C@H](CNC(=O)c1ccc(C#N)c(O)c1)[NH+]1CCOCC1 ZINC000190397093 464635108 /nfs/dbraw/zinc/63/51/08/464635108.db2.gz IHVPDMYMSWQUOB-KRWDZBQOSA-N 1 2 345.443 2.131 20 30 EEEDLO C=C(C)COc1cc(C[NH2+]Cc2nc(N(C)C)no2)ccc1OC ZINC000190969699 464753339 /nfs/dbraw/zinc/75/33/39/464753339.db2.gz JIBPPYNRIJPZEP-UHFFFAOYSA-N 1 2 332.404 2.389 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000176365755 464757672 /nfs/dbraw/zinc/75/76/72/464757672.db2.gz SZMZUBJSKLMLEO-ZDUSSCGKSA-N 1 2 336.374 2.070 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000176365755 464757679 /nfs/dbraw/zinc/75/76/79/464757679.db2.gz SZMZUBJSKLMLEO-ZDUSSCGKSA-N 1 2 336.374 2.070 20 30 EEEDLO CCC(CC)[C@@H](C(=O)NCC#Cc1ccccc1)[NH+]1CCOCC1 ZINC000266008958 464762205 /nfs/dbraw/zinc/76/22/05/464762205.db2.gz GXMCEGBUZJVHPS-IBGZPJMESA-N 1 2 328.456 2.291 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)CCO1 ZINC000275224505 464768053 /nfs/dbraw/zinc/76/80/53/464768053.db2.gz ATYJOKFXQCUZFG-CZUORRHYSA-N 1 2 343.362 2.473 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000295321917 464788241 /nfs/dbraw/zinc/78/82/41/464788241.db2.gz PSDFQCOYZAYCBO-HNNXBMFYSA-N 1 2 344.440 2.372 20 30 EEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000266890095 464859385 /nfs/dbraw/zinc/85/93/85/464859385.db2.gz CHZULYTXUJBWGW-HOTGVXAUSA-N 1 2 329.444 2.194 20 30 EEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000266890095 464859390 /nfs/dbraw/zinc/85/93/90/464859390.db2.gz CHZULYTXUJBWGW-HOTGVXAUSA-N 1 2 329.444 2.194 20 30 EEEDLO N#CCCCOc1cccnc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000282584692 464875745 /nfs/dbraw/zinc/87/57/45/464875745.db2.gz GJOMQDDMVPJIII-UHFFFAOYSA-N 1 2 326.360 2.063 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(C)oc3C)n2CC=C)CC1 ZINC000282592150 464879173 /nfs/dbraw/zinc/87/91/73/464879173.db2.gz MBYMKBJUKXVARC-UHFFFAOYSA-N 1 2 325.416 2.096 20 30 EEEDLO CCN1CCN(C(=O)NCCc2ccsc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329962244 465488436 /nfs/dbraw/zinc/48/84/36/465488436.db2.gz PFEOTRSJRGTBHC-AWEZNQCLSA-N 1 2 333.461 2.307 20 30 EEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)CC1(C#N)CC1)c1ccccc1Cl ZINC000183762664 464907519 /nfs/dbraw/zinc/90/75/19/464907519.db2.gz WEFLHHDVGSYLKT-AWEZNQCLSA-N 1 2 341.864 2.166 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000249736192 464910642 /nfs/dbraw/zinc/91/06/42/464910642.db2.gz DZXOEZVXTITBOE-JFIYKMOQSA-N 1 2 329.444 2.457 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000249736192 464910645 /nfs/dbraw/zinc/91/06/45/464910645.db2.gz DZXOEZVXTITBOE-JFIYKMOQSA-N 1 2 329.444 2.457 20 30 EEEDLO Cn1ccc(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])c1 ZINC000267054952 464915046 /nfs/dbraw/zinc/91/50/46/464915046.db2.gz FSTQYODYTJYUSA-UHFFFAOYSA-N 1 2 335.411 2.185 20 30 EEEDLO Cn1cc(Cl)cc1C[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000268211890 464974201 /nfs/dbraw/zinc/97/42/01/464974201.db2.gz ULQWCLRHEZLEEO-UHFFFAOYSA-N 1 2 330.819 2.298 20 30 EEEDLO Cn1cc(Cl)cc1C[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000268211890 464974208 /nfs/dbraw/zinc/97/42/08/464974208.db2.gz ULQWCLRHEZLEEO-UHFFFAOYSA-N 1 2 330.819 2.298 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000184607182 465007920 /nfs/dbraw/zinc/00/79/20/465007920.db2.gz APISIBUNXZZJRV-HZPDHXFCSA-N 1 2 348.516 2.411 20 30 EEEDLO C=CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000184682930 465017426 /nfs/dbraw/zinc/01/74/26/465017426.db2.gz ZUWGSQLKGYUTHJ-CYBMUJFWSA-N 1 2 345.848 2.229 20 30 EEEDLO C=CC[N@H+](Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000184682930 465017429 /nfs/dbraw/zinc/01/74/29/465017429.db2.gz ZUWGSQLKGYUTHJ-CYBMUJFWSA-N 1 2 345.848 2.229 20 30 EEEDLO Cc1cc(NC(=O)NCc2ncn(C)n2)c[nH+]c1N1CCCC[C@H]1C ZINC000329401400 465322430 /nfs/dbraw/zinc/32/24/30/465322430.db2.gz YBGGNLNBZFEIKR-CYBMUJFWSA-N 1 2 343.435 2.423 20 30 EEEDLO C=CCCN(C)C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000342534937 465327462 /nfs/dbraw/zinc/32/74/62/465327462.db2.gz LFLVKTKUMFMROV-UHFFFAOYSA-N 1 2 347.459 2.279 20 30 EEEDLO C=CCCN(C)C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000342534937 465327470 /nfs/dbraw/zinc/32/74/70/465327470.db2.gz LFLVKTKUMFMROV-UHFFFAOYSA-N 1 2 347.459 2.279 20 30 EEEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccnc(C2CC2)c1 ZINC000329443256 465334947 /nfs/dbraw/zinc/33/49/47/465334947.db2.gz KMBYIGFXOQODQD-GOSISDBHSA-N 1 2 347.484 2.472 20 30 EEEDLO CC(C)C(=O)NC1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329648824 465397538 /nfs/dbraw/zinc/39/75/38/465397538.db2.gz FESKDNNBPUVCCG-CYBMUJFWSA-N 1 2 333.436 2.258 20 30 EEEDLO CC(C)C(=O)NC1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329648824 465397541 /nfs/dbraw/zinc/39/75/41/465397541.db2.gz FESKDNNBPUVCCG-CYBMUJFWSA-N 1 2 333.436 2.258 20 30 EEEDLO O=C(N[C@H]1CCCOC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000329708435 465412307 /nfs/dbraw/zinc/41/23/07/465412307.db2.gz MGHDISCSXCOEAD-HNNXBMFYSA-N 1 2 332.448 2.492 20 30 EEEDLO Cn1c2c(cccc2F)[nH+]c1N1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000329733954 465419473 /nfs/dbraw/zinc/41/94/73/465419473.db2.gz RCAHUDRTHMSNFR-MRXNPFEDSA-N 1 2 346.406 2.409 20 30 EEEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000329880961 465461693 /nfs/dbraw/zinc/46/16/93/465461693.db2.gz AGXWVYJXMFCTMB-DIECFANBSA-N 1 2 344.459 2.297 20 30 EEEDLO [O-]C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329880961 465461699 /nfs/dbraw/zinc/46/16/99/465461699.db2.gz AGXWVYJXMFCTMB-DIECFANBSA-N 1 2 344.459 2.297 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000339733567 465475551 /nfs/dbraw/zinc/47/55/51/465475551.db2.gz PFULDSPSSSPEJW-AWEZNQCLSA-N 1 2 342.443 2.322 20 30 EEEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)C1CCOCC1 ZINC000329930382 465477980 /nfs/dbraw/zinc/47/79/80/465477980.db2.gz OKAIOCJEXGBTSR-SFHVURJKSA-N 1 2 346.475 2.318 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000339763100 465497124 /nfs/dbraw/zinc/49/71/24/465497124.db2.gz LTPZVGXGQYAWMF-UHFFFAOYSA-N 1 2 334.441 2.307 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000339763100 465497129 /nfs/dbraw/zinc/49/71/29/465497129.db2.gz LTPZVGXGQYAWMF-UHFFFAOYSA-N 1 2 334.441 2.307 20 30 EEEDLO C=CCC(C)(C)CNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000352519076 465534823 /nfs/dbraw/zinc/53/48/23/465534823.db2.gz LPEOLFVVKHIEPA-OAHLLOKOSA-N 1 2 334.464 2.202 20 30 EEEDLO C=CCC(C)(C)CNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000352519076 465534828 /nfs/dbraw/zinc/53/48/28/465534828.db2.gz LPEOLFVVKHIEPA-OAHLLOKOSA-N 1 2 334.464 2.202 20 30 EEEDLO Cn1nccc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348320850 465548937 /nfs/dbraw/zinc/54/89/37/465548937.db2.gz DFFDRCOFMOOEFF-KRWDZBQOSA-N 1 2 329.835 2.456 20 30 EEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(=O)n2ccccc2n1 ZINC000352818627 465558393 /nfs/dbraw/zinc/55/83/93/465558393.db2.gz USDAFDMVSCXMIN-UHFFFAOYSA-N 1 2 339.395 2.358 20 30 EEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(=O)n2ccccc2n1 ZINC000352818627 465558399 /nfs/dbraw/zinc/55/83/99/465558399.db2.gz USDAFDMVSCXMIN-UHFFFAOYSA-N 1 2 339.395 2.358 20 30 EEEDLO C[C@H](NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)c1cccnc1 ZINC000330341671 465622590 /nfs/dbraw/zinc/62/25/90/465622590.db2.gz ZOPHBBASIYOYGG-BJJXKVORSA-N 1 2 329.404 2.300 20 30 EEEDLO COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N)cc1OC ZINC000299167037 465634055 /nfs/dbraw/zinc/63/40/55/465634055.db2.gz PFURSWPVMRUXQW-UONOGXRCSA-N 1 2 333.432 2.142 20 30 EEEDLO COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N)cc1OC ZINC000299167037 465634060 /nfs/dbraw/zinc/63/40/60/465634060.db2.gz PFURSWPVMRUXQW-UONOGXRCSA-N 1 2 333.432 2.142 20 30 EEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(O)ccc1C(F)(F)F ZINC000330413746 465651128 /nfs/dbraw/zinc/65/11/28/465651128.db2.gz BXGIDQCASFXKJE-SNVBAGLBSA-N 1 2 332.322 2.436 20 30 EEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(O)ccc1C(F)(F)F ZINC000330413746 465651133 /nfs/dbraw/zinc/65/11/33/465651133.db2.gz BXGIDQCASFXKJE-SNVBAGLBSA-N 1 2 332.322 2.436 20 30 EEEDLO COc1ccc(C[N@H+](C)CC(=O)NCc2cccc(C#N)c2)cc1O ZINC000348524936 465653764 /nfs/dbraw/zinc/65/37/64/465653764.db2.gz LIRSZFINDYDJOG-UHFFFAOYSA-N 1 2 339.395 2.021 20 30 EEEDLO COc1ccc(C[N@@H+](C)CC(=O)NCc2cccc(C#N)c2)cc1O ZINC000348524936 465653772 /nfs/dbraw/zinc/65/37/72/465653772.db2.gz LIRSZFINDYDJOG-UHFFFAOYSA-N 1 2 339.395 2.021 20 30 EEEDLO C=CC[N@@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)Cc1cccc(C#N)c1 ZINC000299296176 465684842 /nfs/dbraw/zinc/68/48/42/465684842.db2.gz BYCMQEPIALBRGQ-IYBDPMFKSA-N 1 2 327.428 2.182 20 30 EEEDLO C=CC[N@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)Cc1cccc(C#N)c1 ZINC000299296176 465684853 /nfs/dbraw/zinc/68/48/53/465684853.db2.gz BYCMQEPIALBRGQ-IYBDPMFKSA-N 1 2 327.428 2.182 20 30 EEEDLO C=C1CCN(C(=O)[C@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CC1 ZINC000344747562 465785327 /nfs/dbraw/zinc/78/53/27/465785327.db2.gz NGBNGZZHHCSTPL-MAUKXSAKSA-N 1 2 342.443 2.041 20 30 EEEDLO C=CCOc1ccccc1C(=O)N(C)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000345439401 465865941 /nfs/dbraw/zinc/86/59/41/465865941.db2.gz YOGJEBNSBHFRLA-HOTGVXAUSA-N 1 2 332.444 2.433 20 30 EEEDLO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCOC(C)(C)[C@H]2C)c1 ZINC000331040697 465909104 /nfs/dbraw/zinc/90/91/04/465909104.db2.gz CWBIBZHHQQAGHX-CYBMUJFWSA-N 1 2 333.432 2.449 20 30 EEEDLO CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCOC(C)(C)[C@H]2C)c1 ZINC000331040697 465909110 /nfs/dbraw/zinc/90/91/10/465909110.db2.gz CWBIBZHHQQAGHX-CYBMUJFWSA-N 1 2 333.432 2.449 20 30 EEEDLO CCc1nc(C)c(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)s1 ZINC000331171742 465965858 /nfs/dbraw/zinc/96/58/58/465965858.db2.gz CYHBAJSOEQMRQN-UHFFFAOYSA-N 1 2 339.465 2.491 20 30 EEEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC(F)(F)[C@@H](CO)C3)o2)cc1 ZINC000361426903 465987803 /nfs/dbraw/zinc/98/78/03/465987803.db2.gz QXLYSFQQSFVNBQ-CYBMUJFWSA-N 1 2 334.326 2.058 20 30 EEEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC(F)(F)[C@@H](CO)C3)o2)cc1 ZINC000361426903 465987808 /nfs/dbraw/zinc/98/78/08/465987808.db2.gz QXLYSFQQSFVNBQ-CYBMUJFWSA-N 1 2 334.326 2.058 20 30 EEEDLO Cc1nc(C)n(C[C@@H]2C[N@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)n1 ZINC000331716704 466213369 /nfs/dbraw/zinc/21/33/69/466213369.db2.gz IFYLTENYYZXWTK-ACJLOTCBSA-N 1 2 325.416 2.229 20 30 EEEDLO Cc1nc(C)n(C[C@@H]2C[N@@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)n1 ZINC000331716704 466213376 /nfs/dbraw/zinc/21/33/76/466213376.db2.gz IFYLTENYYZXWTK-ACJLOTCBSA-N 1 2 325.416 2.229 20 30 EEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000331837815 466266861 /nfs/dbraw/zinc/26/68/61/466266861.db2.gz CKFBVYSHXMUIPB-DZGCQCFKSA-N 1 2 329.404 2.040 20 30 EEEDLO N#CCc1ccc(OC[C@H](O)Cn2cc[nH+]c2-c2cccnc2)cc1 ZINC000305297685 466398549 /nfs/dbraw/zinc/39/85/49/466398549.db2.gz IIHUMDWSTJBCFK-QGZVFWFLSA-N 1 2 334.379 2.451 20 30 EEEDLO C=CCOCC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000354294766 466451387 /nfs/dbraw/zinc/45/13/87/466451387.db2.gz DHCHSZGFOWIWLZ-UHFFFAOYSA-N 1 2 338.835 2.066 20 30 EEEDLO CC(C)(C(=O)N1CC[NH+](CCOCCC#N)CC1)c1ccccc1 ZINC000338888886 466461608 /nfs/dbraw/zinc/46/16/08/466461608.db2.gz UWBVUAFFGDXBSB-UHFFFAOYSA-N 1 2 329.444 2.039 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(C(F)F)CC2)cc1 ZINC000307883005 466496082 /nfs/dbraw/zinc/49/60/82/466496082.db2.gz VTGDMFQDIDWIOV-UHFFFAOYSA-N 1 2 328.384 2.309 20 30 EEEDLO C=CCSCCNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000338935106 466499765 /nfs/dbraw/zinc/49/97/65/466499765.db2.gz IUZVMXPTOSILTN-UHFFFAOYSA-N 1 2 330.457 2.865 20 30 EEEDLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](CCC#N)CCC(C)C ZINC000362174026 466602890 /nfs/dbraw/zinc/60/28/90/466602890.db2.gz RXBVQQFWUVGPOV-INIZCTEOSA-N 1 2 337.464 2.192 20 30 EEEDLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000362174026 466602895 /nfs/dbraw/zinc/60/28/95/466602895.db2.gz RXBVQQFWUVGPOV-INIZCTEOSA-N 1 2 337.464 2.192 20 30 EEEDLO N#CC1(NC(=O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)CCC1 ZINC000364133504 466684547 /nfs/dbraw/zinc/68/45/47/466684547.db2.gz ADZSQZUDTQLCNA-UHFFFAOYSA-N 1 2 325.412 2.144 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365203131 466743272 /nfs/dbraw/zinc/74/32/72/466743272.db2.gz NTUOABDGWOEKJX-MRXNPFEDSA-N 1 2 343.408 2.104 20 30 EEEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000665837998 472209325 /nfs/dbraw/zinc/20/93/25/472209325.db2.gz MLAMSHYDWKGJHE-HUUCEWRRSA-N 1 2 339.399 2.470 20 30 EEEDLO C=C(C)CS(=O)(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000373822846 466931986 /nfs/dbraw/zinc/93/19/86/466931986.db2.gz LZARUMNYLBCLLG-HNNXBMFYSA-N 1 2 335.429 2.014 20 30 EEEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000425456217 467094389 /nfs/dbraw/zinc/09/43/89/467094389.db2.gz WCNANYHVPHAQTQ-HNNXBMFYSA-N 1 2 344.459 2.371 20 30 EEEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000425456217 467094392 /nfs/dbraw/zinc/09/43/92/467094392.db2.gz WCNANYHVPHAQTQ-HNNXBMFYSA-N 1 2 344.459 2.371 20 30 EEEDLO C=CC[C@@H](C)[C@H](C)[NH2+]C1CN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000428079006 467201546 /nfs/dbraw/zinc/20/15/46/467201546.db2.gz OMIFBXGDYZFSCW-KGLIPLIRSA-N 1 2 338.473 2.258 20 30 EEEDLO Cc1nc(N(CC[NH+]2CCOCC2)Cc2ccco2)ccc1C#N ZINC000450933146 467209336 /nfs/dbraw/zinc/20/93/36/467209336.db2.gz BYWMOYZEYDGJEE-UHFFFAOYSA-N 1 2 326.400 2.194 20 30 EEEDLO Cc1cc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)nn1CCC#N ZINC000378349444 467273836 /nfs/dbraw/zinc/27/38/36/467273836.db2.gz OPEFPOAYIGYLJO-UHFFFAOYSA-N 1 2 349.398 2.613 20 30 EEEDLO C[N@H+](CC(=O)NCc1ccccc1Cn1cccn1)CC(C)(C)C#N ZINC000433303190 467316579 /nfs/dbraw/zinc/31/65/79/467316579.db2.gz HGWZGNPSKBFVLV-UHFFFAOYSA-N 1 2 339.443 2.029 20 30 EEEDLO C[N@@H+](CC(=O)NCc1ccccc1Cn1cccn1)CC(C)(C)C#N ZINC000433303190 467316582 /nfs/dbraw/zinc/31/65/82/467316582.db2.gz HGWZGNPSKBFVLV-UHFFFAOYSA-N 1 2 339.443 2.029 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCCNC(=O)C1CCC1 ZINC000429541955 467343740 /nfs/dbraw/zinc/34/37/40/467343740.db2.gz QBCDGXLAMUYFQG-KRWDZBQOSA-N 1 2 343.427 2.011 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000429541955 467343742 /nfs/dbraw/zinc/34/37/42/467343742.db2.gz QBCDGXLAMUYFQG-KRWDZBQOSA-N 1 2 343.427 2.011 20 30 EEEDLO CC#CCNC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000441133597 467571471 /nfs/dbraw/zinc/57/14/71/467571471.db2.gz NKEHSIMDDPXMDT-MRXNPFEDSA-N 1 2 329.444 2.324 20 30 EEEDLO CC#CCNC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000441133597 467571472 /nfs/dbraw/zinc/57/14/72/467571472.db2.gz NKEHSIMDDPXMDT-MRXNPFEDSA-N 1 2 329.444 2.324 20 30 EEEDLO Cc1nc(N2CCN(C(=O)/C=C\c3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000492629404 467693575 /nfs/dbraw/zinc/69/35/75/467693575.db2.gz YUKPRPDAJHJSDG-SREVYHEPSA-N 1 2 333.395 2.019 20 30 EEEDLO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1cccc(F)c1C#N ZINC000496759430 467711680 /nfs/dbraw/zinc/71/16/80/467711680.db2.gz ZUSHGEAMMJPFKR-UHFFFAOYSA-N 1 2 337.395 2.016 20 30 EEEDLO CC(C)(C)OC(=O)NCC[N@@H+](CCO)Cc1cccc(F)c1C#N ZINC000496759430 467711685 /nfs/dbraw/zinc/71/16/85/467711685.db2.gz ZUSHGEAMMJPFKR-UHFFFAOYSA-N 1 2 337.395 2.016 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496819230 467718200 /nfs/dbraw/zinc/71/82/00/467718200.db2.gz MENBPEGDAXWAGU-AWEZNQCLSA-N 1 2 339.480 2.256 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496819230 467718204 /nfs/dbraw/zinc/71/82/04/467718204.db2.gz MENBPEGDAXWAGU-AWEZNQCLSA-N 1 2 339.480 2.256 20 30 EEEDLO C=CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000492759267 467741932 /nfs/dbraw/zinc/74/19/32/467741932.db2.gz BTIFSXWTAKWJLC-WBTMPAOCSA-N 1 2 349.398 2.174 20 30 EEEDLO Cc1cc(/C=C/C(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1F ZINC000492861930 467776506 /nfs/dbraw/zinc/77/65/06/467776506.db2.gz KEDPZFGJLHJJPW-GQCTYLIASA-N 1 2 345.418 2.222 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ncc(C#N)cn2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000497114194 467841284 /nfs/dbraw/zinc/84/12/84/467841284.db2.gz QNPWHOFKJQZOAO-UKRRQHHQSA-N 1 2 345.447 2.331 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ncc(C#N)cn2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000497114194 467841288 /nfs/dbraw/zinc/84/12/88/467841288.db2.gz QNPWHOFKJQZOAO-UKRRQHHQSA-N 1 2 345.447 2.331 20 30 EEEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SCC(N)=O ZINC000489457796 468138285 /nfs/dbraw/zinc/13/82/85/468138285.db2.gz CHERRNKAKAONJJ-ZDUSSCGKSA-N 1 2 333.457 2.243 20 30 EEEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SCC(N)=O ZINC000489457796 468138288 /nfs/dbraw/zinc/13/82/88/468138288.db2.gz CHERRNKAKAONJJ-ZDUSSCGKSA-N 1 2 333.457 2.243 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(Br)ccc1F ZINC000567558323 468173140 /nfs/dbraw/zinc/17/31/40/468173140.db2.gz HUCOOCQZRODWLL-CYBMUJFWSA-N 1 2 328.185 2.162 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496391003 468216358 /nfs/dbraw/zinc/21/63/58/468216358.db2.gz DHNBRPGSXGXNIX-KBXCAEBGSA-N 1 2 339.480 2.256 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496391003 468216363 /nfs/dbraw/zinc/21/63/63/468216363.db2.gz DHNBRPGSXGXNIX-KBXCAEBGSA-N 1 2 339.480 2.256 20 30 EEEDLO CC(C)N(C(=O)[C@@H](C)[NH+]1CCN(c2cnccc2C#N)CC1)C(C)C ZINC000578827455 468261394 /nfs/dbraw/zinc/26/13/94/468261394.db2.gz FYQJZQQDMRHABX-MRXNPFEDSA-N 1 2 343.475 2.109 20 30 EEEDLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150678 468640323 /nfs/dbraw/zinc/64/03/23/468640323.db2.gz GGLWUTGOQMUZEP-LIRRHRJNSA-N 1 2 341.411 2.303 20 30 EEEDLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150678 468640327 /nfs/dbraw/zinc/64/03/27/468640327.db2.gz GGLWUTGOQMUZEP-LIRRHRJNSA-N 1 2 341.411 2.303 20 30 EEEDLO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149352 468640540 /nfs/dbraw/zinc/64/05/40/468640540.db2.gz NIFYUFUGNKIBSU-QMTMVMCOSA-N 1 2 327.428 2.093 20 30 EEEDLO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149352 468640542 /nfs/dbraw/zinc/64/05/42/468640542.db2.gz NIFYUFUGNKIBSU-QMTMVMCOSA-N 1 2 327.428 2.093 20 30 EEEDLO N#CCc1ccccc1S(=O)(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000601318081 468824598 /nfs/dbraw/zinc/82/45/98/468824598.db2.gz IPTMIXGSTRSOGP-UHFFFAOYSA-N 1 2 341.436 2.047 20 30 EEEDLO N#Cc1ccc2c(c1)CCN2C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000561065428 468860938 /nfs/dbraw/zinc/86/09/38/468860938.db2.gz YQDXQVZEUQHZDX-FQEVSTJZSA-N 1 2 347.418 2.348 20 30 EEEDLO N#Cc1ccc2c(c1)CCN2C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000561065428 468860942 /nfs/dbraw/zinc/86/09/42/468860942.db2.gz YQDXQVZEUQHZDX-FQEVSTJZSA-N 1 2 347.418 2.348 20 30 EEEDLO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613942 468923252 /nfs/dbraw/zinc/92/32/52/468923252.db2.gz FYQVJBSRINLOIF-KGLIPLIRSA-N 1 2 337.431 2.306 20 30 EEEDLO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613942 468923256 /nfs/dbraw/zinc/92/32/56/468923256.db2.gz FYQVJBSRINLOIF-KGLIPLIRSA-N 1 2 337.431 2.306 20 30 EEEDLO COC(=O)c1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000595617456 468925220 /nfs/dbraw/zinc/92/52/20/468925220.db2.gz ZWPMUJQWZBLUTI-GXTWGEPZSA-N 1 2 347.440 2.266 20 30 EEEDLO COC(=O)c1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000595617456 468925227 /nfs/dbraw/zinc/92/52/27/468925227.db2.gz ZWPMUJQWZBLUTI-GXTWGEPZSA-N 1 2 347.440 2.266 20 30 EEEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598593018 468926520 /nfs/dbraw/zinc/92/65/20/468926520.db2.gz QBSQHKZEJWQMTG-IAGOWNOFSA-N 1 2 332.444 2.393 20 30 EEEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598593018 468926526 /nfs/dbraw/zinc/92/65/26/468926526.db2.gz QBSQHKZEJWQMTG-IAGOWNOFSA-N 1 2 332.444 2.393 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632853 468931779 /nfs/dbraw/zinc/93/17/79/468931779.db2.gz JWEOKTHTJSAZIO-UHFFFAOYSA-N 1 2 332.473 2.166 20 30 EEEDLO CC[C@@H](C#N)C(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000593421876 468971062 /nfs/dbraw/zinc/97/10/62/468971062.db2.gz YYKUUAZFHXFHGS-ZDUSSCGKSA-N 1 2 333.436 2.347 20 30 EEEDLO C=CCC1(CNC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)CCCC1 ZINC000562676693 469030765 /nfs/dbraw/zinc/03/07/65/469030765.db2.gz BFTXIOZHEMZJEQ-UHFFFAOYSA-N 1 2 345.491 2.384 20 30 EEEDLO N#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1 ZINC000601852278 469059184 /nfs/dbraw/zinc/05/91/84/469059184.db2.gz VVUACJXGXDJKQW-UHFFFAOYSA-N 1 2 338.436 2.436 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000614924906 469096350 /nfs/dbraw/zinc/09/63/50/469096350.db2.gz OWWKZLFEDOFJPI-TZMCWYRMSA-N 1 2 335.370 2.038 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000614924906 469096351 /nfs/dbraw/zinc/09/63/51/469096351.db2.gz OWWKZLFEDOFJPI-TZMCWYRMSA-N 1 2 335.370 2.038 20 30 EEEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000602869819 469130735 /nfs/dbraw/zinc/13/07/35/469130735.db2.gz PELVOCRYVYSWAS-MRVPVSSYSA-N 1 2 325.294 2.412 20 30 EEEDLO Cc1ccc(-c2ccnn2C)cc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000563008943 469135097 /nfs/dbraw/zinc/13/50/97/469135097.db2.gz DXAJNBKQKPDPNQ-INIZCTEOSA-N 1 2 327.432 2.014 20 30 EEEDLO Cc1ccc(-c2ccnn2C)cc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000563008943 469135103 /nfs/dbraw/zinc/13/51/03/469135103.db2.gz DXAJNBKQKPDPNQ-INIZCTEOSA-N 1 2 327.432 2.014 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000615793258 469315669 /nfs/dbraw/zinc/31/56/69/469315669.db2.gz GUTHCJJPRDURJA-GFCCVEGCSA-N 1 2 325.350 2.069 20 30 EEEDLO CC(C)Oc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000603925556 469447762 /nfs/dbraw/zinc/44/77/62/469447762.db2.gz WMTZEACODZXTSU-UHFFFAOYSA-N 1 2 345.443 2.162 20 30 EEEDLO C=CC[C@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000604912293 469526797 /nfs/dbraw/zinc/52/67/97/469526797.db2.gz RQDGQVLELRXBGL-LSDHHAIUSA-N 1 2 336.505 2.300 20 30 EEEDLO N#C[C@H]1CCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000613163980 469645121 /nfs/dbraw/zinc/64/51/21/469645121.db2.gz PDOKTCKZDTUXJG-HIFRSBDPSA-N 1 2 333.461 2.053 20 30 EEEDLO N#C[C@H]1CCC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000613163980 469645125 /nfs/dbraw/zinc/64/51/25/469645125.db2.gz PDOKTCKZDTUXJG-HIFRSBDPSA-N 1 2 333.461 2.053 20 30 EEEDLO C=C(C)[C@H](CC(=O)NCc1nc(C[NH+]2CCCCC2)no1)OCC ZINC000614466432 469947605 /nfs/dbraw/zinc/94/76/05/469947605.db2.gz RITPLQLYFXSAMG-AWEZNQCLSA-N 1 2 336.436 2.043 20 30 EEEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCc4ccc(O)cc4C3)C2=O)cc1 ZINC000610002666 469973795 /nfs/dbraw/zinc/97/37/95/469973795.db2.gz VUWMRLDOSDOAFD-LJQANCHMSA-N 1 2 333.391 2.427 20 30 EEEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCc4ccc(O)cc4C3)C2=O)cc1 ZINC000610002666 469973799 /nfs/dbraw/zinc/97/37/99/469973799.db2.gz VUWMRLDOSDOAFD-LJQANCHMSA-N 1 2 333.391 2.427 20 30 EEEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCC[N@H+]1CCOC[C@H]1C ZINC000610276121 469998525 /nfs/dbraw/zinc/99/85/25/469998525.db2.gz RUGMQFPDESBNSR-CYBMUJFWSA-N 1 2 328.391 2.109 20 30 EEEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCC[N@@H+]1CCOC[C@H]1C ZINC000610276121 469998529 /nfs/dbraw/zinc/99/85/29/469998529.db2.gz RUGMQFPDESBNSR-CYBMUJFWSA-N 1 2 328.391 2.109 20 30 EEEDLO C=CCOc1c(Cl)cc(C[N@H+](C)CC(=O)N(C)C)cc1OC ZINC000628120660 470058605 /nfs/dbraw/zinc/05/86/05/470058605.db2.gz YOKRJVQIFONQGH-UHFFFAOYSA-N 1 2 326.824 2.433 20 30 EEEDLO C=CCOc1c(Cl)cc(C[N@@H+](C)CC(=O)N(C)C)cc1OC ZINC000628120660 470058606 /nfs/dbraw/zinc/05/86/06/470058606.db2.gz YOKRJVQIFONQGH-UHFFFAOYSA-N 1 2 326.824 2.433 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000640110030 470789677 /nfs/dbraw/zinc/78/96/77/470789677.db2.gz IUWUKHPVIHTNLY-KRWDZBQOSA-N 1 2 345.487 2.323 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2ccc(O)cc2)CC1 ZINC000640110030 470789683 /nfs/dbraw/zinc/78/96/83/470789683.db2.gz IUWUKHPVIHTNLY-KRWDZBQOSA-N 1 2 345.487 2.323 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635890483 470799299 /nfs/dbraw/zinc/79/92/99/470799299.db2.gz VNMFPXJBXOWDEF-NEWSRXKRSA-N 1 2 344.455 2.367 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635890483 470799302 /nfs/dbraw/zinc/79/93/02/470799302.db2.gz VNMFPXJBXOWDEF-NEWSRXKRSA-N 1 2 344.455 2.367 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(OCc3ccccn3)cc2)nn1 ZINC000640994163 471157162 /nfs/dbraw/zinc/15/71/62/471157162.db2.gz JKACWSGVASMOGQ-UHFFFAOYSA-N 1 2 347.422 2.413 20 30 EEEDLO C=CCCn1cc(CNc2ccccc2C[NH+]2CCOCC2)nn1 ZINC000656114878 471594793 /nfs/dbraw/zinc/59/47/93/471594793.db2.gz IOILRBPKLFCLDS-UHFFFAOYSA-N 1 2 327.432 2.299 20 30 EEEDLO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000677479902 486441042 /nfs/dbraw/zinc/44/10/42/486441042.db2.gz QTFOAVWAXLBDAM-GDBMZVCRSA-N 1 2 338.448 2.370 20 30 EEEDLO CCC#C[C@@H](C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000677479902 486441044 /nfs/dbraw/zinc/44/10/44/486441044.db2.gz QTFOAVWAXLBDAM-GDBMZVCRSA-N 1 2 338.448 2.370 20 30 EEEDLO COCC#CC[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000677818881 486499753 /nfs/dbraw/zinc/49/97/53/486499753.db2.gz XSRFPQJQTMMLIA-UHFFFAOYSA-N 1 2 340.345 2.113 20 30 EEEDLO C=CC[N@@H+](CCOC)CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000191103273 526300383 /nfs/dbraw/zinc/30/03/83/526300383.db2.gz IXEBMIGZXNKYHW-UHFFFAOYSA-N 1 2 330.384 2.272 20 30 EEEDLO C=CC[N@H+](CCOC)CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000191103273 526300389 /nfs/dbraw/zinc/30/03/89/526300389.db2.gz IXEBMIGZXNKYHW-UHFFFAOYSA-N 1 2 330.384 2.272 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000111125400 527383325 /nfs/dbraw/zinc/38/33/25/527383325.db2.gz SWKPWDXQXGMCJR-PKOBYXMFSA-N 1 2 346.471 2.027 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000291677118 527628012 /nfs/dbraw/zinc/62/80/12/527628012.db2.gz WVLYBKXOLYPODS-JXFKEZNVSA-N 1 2 346.471 2.445 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000291677118 527628016 /nfs/dbraw/zinc/62/80/16/527628016.db2.gz WVLYBKXOLYPODS-JXFKEZNVSA-N 1 2 346.471 2.445 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1cc(Br)cs1 ZINC000493636906 535950697 /nfs/dbraw/zinc/95/06/97/535950697.db2.gz ZSKWKCKOLOTRIZ-DSYXLKISSA-N 1 2 342.262 2.484 20 30 EEEDLO N#Cc1ccc(N2CC[C@H](OC(=O)c3ccc4[nH+]ccn4c3)C2=O)cc1 ZINC000732348304 577173598 /nfs/dbraw/zinc/17/35/98/577173598.db2.gz JUCJOIFPSXFNNO-INIZCTEOSA-N 1 2 346.346 2.168 20 30 EEEDLO Cc1[nH+]c(-c2ccncc2)nc(NCCNc2ccc(C#N)cn2)c1C ZINC000733300147 577221082 /nfs/dbraw/zinc/22/10/82/577221082.db2.gz OBEODMQZUHFLMY-UHFFFAOYSA-N 1 2 345.410 2.368 20 30 EEEDLO C=CC[N@@H+](CN1C(=O)C(=O)N(c2ccc(C)cc2C)C1=O)C1CC1 ZINC000771640655 577223116 /nfs/dbraw/zinc/22/31/16/577223116.db2.gz PWZOPKNIKMBHHK-UHFFFAOYSA-N 1 2 327.384 2.207 20 30 EEEDLO C=CC[N@H+](CN1C(=O)C(=O)N(c2ccc(C)cc2C)C1=O)C1CC1 ZINC000771640655 577223117 /nfs/dbraw/zinc/22/31/17/577223117.db2.gz PWZOPKNIKMBHHK-UHFFFAOYSA-N 1 2 327.384 2.207 20 30 EEEDLO C#C[C@@H](Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCO1 ZINC000772255771 577260009 /nfs/dbraw/zinc/26/00/09/577260009.db2.gz KRLAUVLAUNUIAL-HZPDHXFCSA-N 1 2 338.367 2.375 20 30 EEEDLO C#CCCCCC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000773234745 577325478 /nfs/dbraw/zinc/32/54/78/577325478.db2.gz WEWOSDKVSHQVRV-UHFFFAOYSA-N 1 2 327.428 2.206 20 30 EEEDLO C#CCOc1ccccc1C[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000768225035 577552401 /nfs/dbraw/zinc/55/24/01/577552401.db2.gz BWRDLXXOASSRQC-UHFFFAOYSA-N 1 2 341.455 2.422 20 30 EEEDLO CC[N@H+](CC(=O)NC)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000764202902 577732711 /nfs/dbraw/zinc/73/27/11/577732711.db2.gz VINKSASFJLRNNG-INIZCTEOSA-N 1 2 344.459 2.007 20 30 EEEDLO CC[N@@H+](CC(=O)NC)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000764202902 577732712 /nfs/dbraw/zinc/73/27/12/577732712.db2.gz VINKSASFJLRNNG-INIZCTEOSA-N 1 2 344.459 2.007 20 30 EEEDLO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCO1 ZINC000752076534 577765668 /nfs/dbraw/zinc/76/56/68/577765668.db2.gz XRSNUNMROCEAHY-NJAFHUGGSA-N 1 2 327.428 2.005 20 30 EEEDLO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCO1 ZINC000752076534 577765669 /nfs/dbraw/zinc/76/56/69/577765669.db2.gz XRSNUNMROCEAHY-NJAFHUGGSA-N 1 2 327.428 2.005 20 30 EEEDLO Cc1ccc(S(=O)(=O)CC(C)N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1 ZINC000753938591 577796935 /nfs/dbraw/zinc/79/69/35/577796935.db2.gz KKTLLUTUYCZEEZ-HOTGVXAUSA-N 1 2 348.472 2.005 20 30 EEEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3ccc(C#N)s3)CC2)S1 ZINC000754293775 577804060 /nfs/dbraw/zinc/80/40/60/577804060.db2.gz UYUCCDAWSNORFQ-UHFFFAOYSA-N 1 2 334.470 2.259 20 30 EEEDLO CCN(CC)c1ccc(C=[NH+]Nc2ccc(C(N)=O)nn2)cc1F ZINC000756838030 577850974 /nfs/dbraw/zinc/85/09/74/577850974.db2.gz HJIYHQJTELULJS-UHFFFAOYSA-N 1 2 330.367 2.007 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)C2(c3ccc(OC)cc3)CCCC2)CC1 ZINC000746890157 577935595 /nfs/dbraw/zinc/93/55/95/577935595.db2.gz ZDNCFMSVASBOSH-UHFFFAOYSA-N 1 2 326.440 2.284 20 30 EEEDLO N#Cc1ccc(NCC(=O)OCc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000750335567 577990590 /nfs/dbraw/zinc/99/05/90/577990590.db2.gz ZWDLJNFVILGVLD-UHFFFAOYSA-N 1 2 333.351 2.294 20 30 EEEDLO N#Cc1ccc(N[NH+]=Cc2c(N3CCOCC3)nc3ccccn32)cc1 ZINC000741805787 578124772 /nfs/dbraw/zinc/12/47/72/578124772.db2.gz BJIQJQDKNDPAGH-UHFFFAOYSA-N 1 2 346.394 2.489 20 30 EEEDLO CCCNC(=S)NN=C(C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735611834 578161335 /nfs/dbraw/zinc/16/13/35/578161335.db2.gz DTBVNINVQHSZHD-MRXNPFEDSA-N 1 2 334.489 2.137 20 30 EEEDLO CCCNC(=S)NN=C(C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735611834 578161336 /nfs/dbraw/zinc/16/13/36/578161336.db2.gz DTBVNINVQHSZHD-MRXNPFEDSA-N 1 2 334.489 2.137 20 30 EEEDLO C[C@H](NC(=O)[C@@H]1CCOC1)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000969370155 674908243 /nfs/dbraw/zinc/90/82/43/674908243.db2.gz JYYOFPRDZDZZGV-GOEBONIOSA-N 1 2 346.858 2.165 20 30 EEEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC000969462801 675058887 /nfs/dbraw/zinc/05/88/87/675058887.db2.gz HIRKYYHJVIDDLO-LLVKDONJSA-N 1 2 343.818 2.185 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC000969563672 675107286 /nfs/dbraw/zinc/10/72/86/675107286.db2.gz HOVLEQULEFIVKS-CQSZACIVSA-N 1 2 332.448 2.315 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(CC(F)(F)F)no2)C1 ZINC000969583840 675116148 /nfs/dbraw/zinc/11/61/48/675116148.db2.gz AGYMEKNXLFYIRB-SNVBAGLBSA-N 1 2 346.353 2.077 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c(Cl)n[nH]c2CC)C1 ZINC000969820290 675225609 /nfs/dbraw/zinc/22/56/09/675225609.db2.gz IFUMCINJUZUJLK-SECBINFHSA-N 1 2 331.247 2.428 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC000969830604 675235952 /nfs/dbraw/zinc/23/59/52/675235952.db2.gz OKQRMFVKEDFWTR-BMIGLBTASA-N 1 2 328.363 2.300 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000047538745 676214279 /nfs/dbraw/zinc/21/42/79/676214279.db2.gz OBYKJUZJBCZAOA-UHFFFAOYSA-N 1 2 335.310 2.249 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC000969923260 675314520 /nfs/dbraw/zinc/31/45/20/675314520.db2.gz QAMWSPZMEYCTHN-CYBMUJFWSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cn(C)nc2C2CCC2)C1 ZINC000969998844 675373526 /nfs/dbraw/zinc/37/35/26/675373526.db2.gz VUYAIJHPMOYIIS-LBPRGKRZSA-N 1 2 336.867 2.490 20 30 EEEDLO C=C1CCC(C(=O)N[C@H](C)C2C[NH+](Cc3cc(C)n(C)n3)C2)CC1 ZINC000970375293 675830095 /nfs/dbraw/zinc/83/00/95/675830095.db2.gz CZQVCBFPXAFWMI-OAHLLOKOSA-N 1 2 330.476 2.411 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC000970997255 676304152 /nfs/dbraw/zinc/30/41/52/676304152.db2.gz RJEQPIHELYVXIZ-LLVKDONJSA-N 1 2 348.834 2.082 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)C2CC(F)(F)C2)C1 ZINC000971312708 676480973 /nfs/dbraw/zinc/48/09/73/676480973.db2.gz QKJLSWDAKQCUHR-NSHDSACASA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)C2CC(F)(F)C2)C1 ZINC000971312708 676480974 /nfs/dbraw/zinc/48/09/74/676480974.db2.gz QKJLSWDAKQCUHR-NSHDSACASA-N 1 2 337.208 2.473 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)c(C)s1 ZINC000971364089 676503681 /nfs/dbraw/zinc/50/36/81/676503681.db2.gz OOAMSWLRKBZOOL-AWEZNQCLSA-N 1 2 343.456 2.306 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)c(C)s1 ZINC000971364089 676503683 /nfs/dbraw/zinc/50/36/83/676503683.db2.gz OOAMSWLRKBZOOL-AWEZNQCLSA-N 1 2 343.456 2.306 20 30 EEEDLO Cc1nc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cc(F)ccc3C#N)C2)co1 ZINC000971401899 676527288 /nfs/dbraw/zinc/52/72/88/676527288.db2.gz VAFVJJVDXKBVFA-MRXNPFEDSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1nc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(F)ccc3C#N)C2)co1 ZINC000971401899 676527290 /nfs/dbraw/zinc/52/72/90/676527290.db2.gz VAFVJJVDXKBVFA-MRXNPFEDSA-N 1 2 342.374 2.340 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC000971511410 676604530 /nfs/dbraw/zinc/60/45/30/676604530.db2.gz LKUAOAHEQAPERE-KRWDZBQOSA-N 1 2 345.418 2.035 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC000971511410 676604533 /nfs/dbraw/zinc/60/45/33/676604533.db2.gz LKUAOAHEQAPERE-KRWDZBQOSA-N 1 2 345.418 2.035 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000891740348 676810119 /nfs/dbraw/zinc/81/01/19/676810119.db2.gz UNIVBRPENGIPRG-SJORKVTESA-N 1 2 346.402 2.172 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000891740348 676810121 /nfs/dbraw/zinc/81/01/21/676810121.db2.gz UNIVBRPENGIPRG-SJORKVTESA-N 1 2 346.402 2.172 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000971965524 677900725 /nfs/dbraw/zinc/90/07/25/677900725.db2.gz YDFCRQIMRHBBGU-NSHDSACASA-N 1 2 330.201 2.209 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000971965524 677900727 /nfs/dbraw/zinc/90/07/27/677900727.db2.gz YDFCRQIMRHBBGU-NSHDSACASA-N 1 2 330.201 2.209 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4occc4c3)C2)C1 ZINC000972397773 678681960 /nfs/dbraw/zinc/68/19/60/678681960.db2.gz SPNHZSFEZSIIIN-FQEVSTJZSA-N 1 2 338.407 2.373 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4occc4c3)C2)C1 ZINC000972397773 678681965 /nfs/dbraw/zinc/68/19/65/678681965.db2.gz SPNHZSFEZSIIIN-FQEVSTJZSA-N 1 2 338.407 2.373 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@]2(C1)C[N@H+](C[C@@H](F)CC)CCO2 ZINC000972413695 678706392 /nfs/dbraw/zinc/70/63/92/678706392.db2.gz PCCMWFGLBSWGTE-LPHOPBHVSA-N 1 2 349.450 2.339 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@]2(C1)C[N@@H+](C[C@@H](F)CC)CCO2 ZINC000972413695 678706395 /nfs/dbraw/zinc/70/63/95/678706395.db2.gz PCCMWFGLBSWGTE-LPHOPBHVSA-N 1 2 349.450 2.339 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnc(C4CC4)c3)C2)C1 ZINC000972453798 678772529 /nfs/dbraw/zinc/77/25/29/678772529.db2.gz QGGJILMVTBMQDD-LJQANCHMSA-N 1 2 327.428 2.062 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnc(C4CC4)c3)C2)C1 ZINC000972453798 678772532 /nfs/dbraw/zinc/77/25/32/678772532.db2.gz QGGJILMVTBMQDD-LJQANCHMSA-N 1 2 327.428 2.062 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3cccs3)C2)C1 ZINC000972548942 679250209 /nfs/dbraw/zinc/25/02/09/679250209.db2.gz KYJYLOCSUPGFJO-CRAIPNDOSA-N 1 2 332.469 2.178 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3cccs3)C2)C1 ZINC000972548942 679250211 /nfs/dbraw/zinc/25/02/11/679250211.db2.gz KYJYLOCSUPGFJO-CRAIPNDOSA-N 1 2 332.469 2.178 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccsc3)C2)C1 ZINC000972550454 679255022 /nfs/dbraw/zinc/25/50/22/679255022.db2.gz XHJHJNSCGAUAEX-CRAIPNDOSA-N 1 2 332.469 2.178 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccsc3)C2)C1 ZINC000972550454 679255024 /nfs/dbraw/zinc/25/50/24/679255024.db2.gz XHJHJNSCGAUAEX-CRAIPNDOSA-N 1 2 332.469 2.178 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc[nH]c3C3CCC3)C2)C1 ZINC000972553119 679265076 /nfs/dbraw/zinc/26/50/76/679265076.db2.gz ZJAKFBUNQTWZSP-HXUWFJFHSA-N 1 2 341.455 2.222 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc[nH]c3C3CCC3)C2)C1 ZINC000972553119 679265078 /nfs/dbraw/zinc/26/50/78/679265078.db2.gz ZJAKFBUNQTWZSP-HXUWFJFHSA-N 1 2 341.455 2.222 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4ccccc4C3)C2)C1 ZINC000972568923 679317991 /nfs/dbraw/zinc/31/79/91/679317991.db2.gz DWDFDDBDYREOKV-FPOVZHCZSA-N 1 2 340.467 2.281 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4ccccc4C3)C2)C1 ZINC000972568923 679317993 /nfs/dbraw/zinc/31/79/93/679317993.db2.gz DWDFDDBDYREOKV-FPOVZHCZSA-N 1 2 340.467 2.281 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(OCC)c(C)c3)C2)C1 ZINC000972578156 679340040 /nfs/dbraw/zinc/34/00/40/679340040.db2.gz PXDARVBJXLRALU-FQEVSTJZSA-N 1 2 344.455 2.497 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(OCC)c(C)c3)C2)C1 ZINC000972578156 679340041 /nfs/dbraw/zinc/34/00/41/679340041.db2.gz PXDARVBJXLRALU-FQEVSTJZSA-N 1 2 344.455 2.497 20 30 EEEDLO C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001023528839 679359771 /nfs/dbraw/zinc/35/97/71/679359771.db2.gz RPGMWOBBPKSWHW-AWEZNQCLSA-N 1 2 325.416 2.100 20 30 EEEDLO C=CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001023528839 679359772 /nfs/dbraw/zinc/35/97/72/679359772.db2.gz RPGMWOBBPKSWHW-AWEZNQCLSA-N 1 2 325.416 2.100 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+](Cc3nc(C)no3)C2)CC1 ZINC001023572609 679386148 /nfs/dbraw/zinc/38/61/48/679386148.db2.gz ITUUYFXJMNXNNI-OAHLLOKOSA-N 1 2 332.448 2.453 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+](Cc3nc(C)no3)C2)CC1 ZINC001023572609 679386149 /nfs/dbraw/zinc/38/61/49/679386149.db2.gz ITUUYFXJMNXNNI-OAHLLOKOSA-N 1 2 332.448 2.453 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[C@@H]3CC(C)(C)CO3)C2)C1 ZINC000972654977 679517655 /nfs/dbraw/zinc/51/76/55/679517655.db2.gz ZANFPURGCPDVOA-VQIMIIECSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CC[C@@H]3CC(C)(C)CO3)C2)C1 ZINC000972654977 679517658 /nfs/dbraw/zinc/51/76/58/679517658.db2.gz ZANFPURGCPDVOA-VQIMIIECSA-N 1 2 336.476 2.071 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4c(s3)CCC4)C2)C1 ZINC000972665139 679540884 /nfs/dbraw/zinc/54/08/84/679540884.db2.gz UBAYDIQAWXKLJL-IBGZPJMESA-N 1 2 344.480 2.177 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4c(s3)CCC4)C2)C1 ZINC000972665139 679540887 /nfs/dbraw/zinc/54/08/87/679540887.db2.gz UBAYDIQAWXKLJL-IBGZPJMESA-N 1 2 344.480 2.177 20 30 EEEDLO C=CC(C)(C)NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000892431675 679812671 /nfs/dbraw/zinc/81/26/71/679812671.db2.gz VZOFLMMPCRDHTR-UHFFFAOYSA-N 1 2 347.459 2.161 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)CC1(C)C ZINC000972845217 679817920 /nfs/dbraw/zinc/81/79/20/679817920.db2.gz FLGMQCYGABAOOZ-MRXNPFEDSA-N 1 2 338.411 2.495 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC1(C)C ZINC000972845217 679817921 /nfs/dbraw/zinc/81/79/21/679817921.db2.gz FLGMQCYGABAOOZ-MRXNPFEDSA-N 1 2 338.411 2.495 20 30 EEEDLO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1scnc1C(F)(F)F ZINC001024484000 679960587 /nfs/dbraw/zinc/96/05/87/679960587.db2.gz HWPLQUHFUKVUBZ-SNVBAGLBSA-N 1 2 331.363 2.379 20 30 EEEDLO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1scnc1C(F)(F)F ZINC001024484000 679960591 /nfs/dbraw/zinc/96/05/91/679960591.db2.gz HWPLQUHFUKVUBZ-SNVBAGLBSA-N 1 2 331.363 2.379 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc(OCC)n[nH]2)C(C)(C)C1 ZINC000974714297 685297443 /nfs/dbraw/zinc/29/74/43/685297443.db2.gz TXBAEMPXKPMOMV-GFCCVEGCSA-N 1 2 326.828 2.001 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc(OCC)n[nH]2)C(C)(C)C1 ZINC000974714297 685297447 /nfs/dbraw/zinc/29/74/47/685297447.db2.gz TXBAEMPXKPMOMV-GFCCVEGCSA-N 1 2 326.828 2.001 20 30 EEEDLO COc1cc(C[NH2+]CCC#N)cc(I)c1OC ZINC000425970333 681235451 /nfs/dbraw/zinc/23/54/51/681235451.db2.gz FAURJQISRMGVST-UHFFFAOYSA-N 1 2 346.168 2.312 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(CC2CC2)nn1 ZINC001024732925 681394116 /nfs/dbraw/zinc/39/41/16/681394116.db2.gz GKOCQQVZQRXULP-AWEZNQCLSA-N 1 2 337.855 2.025 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cn(CC2CC2)nn1 ZINC001024732925 681394120 /nfs/dbraw/zinc/39/41/20/681394120.db2.gz GKOCQQVZQRXULP-AWEZNQCLSA-N 1 2 337.855 2.025 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C/C(Cl)=C/Cl)C2)c1 ZINC001028469620 681509970 /nfs/dbraw/zinc/50/99/70/681509970.db2.gz BQJNRHOKCKDYJT-OQTVPUDGSA-N 1 2 327.215 2.257 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+](C/C(Cl)=C/Cl)C2)c1 ZINC001028469620 681509973 /nfs/dbraw/zinc/50/99/73/681509973.db2.gz BQJNRHOKCKDYJT-OQTVPUDGSA-N 1 2 327.215 2.257 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)c2[nH]nc3c2CCC3)C1 ZINC001028652454 681560240 /nfs/dbraw/zinc/56/02/40/681560240.db2.gz OIIGSMNHEBDWCA-CQSZACIVSA-N 1 2 349.438 2.022 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)c2[nH]nc3c2CCC3)C1 ZINC001028652454 681560248 /nfs/dbraw/zinc/56/02/48/681560248.db2.gz OIIGSMNHEBDWCA-CQSZACIVSA-N 1 2 349.438 2.022 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000174115471 683214193 /nfs/dbraw/zinc/21/41/93/683214193.db2.gz AHGJWUJRIXZFQH-UHFFFAOYSA-N 1 2 349.350 2.454 20 30 EEEDLO COCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029177834 683348336 /nfs/dbraw/zinc/34/83/36/683348336.db2.gz NKMGTCLTMGJMMN-CALCHBBNSA-N 1 2 332.831 2.013 20 30 EEEDLO COCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001029177834 683348341 /nfs/dbraw/zinc/34/83/41/683348341.db2.gz NKMGTCLTMGJMMN-CALCHBBNSA-N 1 2 332.831 2.013 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](NC(=O)C(C)C)[C@@H]2C)c1 ZINC000993068935 683831929 /nfs/dbraw/zinc/83/19/29/683831929.db2.gz JSVLLROFROJNTJ-MAUKXSAKSA-N 1 2 341.455 2.232 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](NC(=O)C(C)C)[C@@H]2C)c1 ZINC000993068935 683831931 /nfs/dbraw/zinc/83/19/31/683831931.db2.gz JSVLLROFROJNTJ-MAUKXSAKSA-N 1 2 341.455 2.232 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccon2)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000993093849 683913112 /nfs/dbraw/zinc/91/31/12/683913112.db2.gz NIHRPJFVDJJKRW-WBMJQRKESA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccon2)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000993093849 683913115 /nfs/dbraw/zinc/91/31/15/683913115.db2.gz NIHRPJFVDJJKRW-WBMJQRKESA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cocn2)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000993108459 683931721 /nfs/dbraw/zinc/93/17/21/683931721.db2.gz PMCKTLXLZPTBJK-WBMJQRKESA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cocn2)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000993108459 683931725 /nfs/dbraw/zinc/93/17/25/683931725.db2.gz PMCKTLXLZPTBJK-WBMJQRKESA-N 1 2 342.374 2.468 20 30 EEEDLO C=CCCC(=O)N1CC[C@H](CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001059316373 684127407 /nfs/dbraw/zinc/12/74/07/684127407.db2.gz UCJVKZWGEJMVOJ-GJZGRUSLSA-N 1 2 344.459 2.151 20 30 EEEDLO CC[C@@H](F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC)c(C#N)c1 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/nfs/dbraw/zinc/67/35/90/1187673590.db2.gz JLVYVUANCCXRKD-MNOVXSKESA-N 1 2 332.782 2.152 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2nc3ccccc3s2)C1=O ZINC001272849156 1193576042 /nfs/dbraw/zinc/57/60/42/1193576042.db2.gz XXSSKQSBCQPMIJ-GOSISDBHSA-N 1 2 325.437 2.496 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2nc3ccccc3s2)C1=O ZINC001272849156 1193576044 /nfs/dbraw/zinc/57/60/44/1193576044.db2.gz XXSSKQSBCQPMIJ-GOSISDBHSA-N 1 2 325.437 2.496 20 30 EEEDLO CC#CCCCC(=O)N[C@@H](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001076547400 1188989098 /nfs/dbraw/zinc/98/90/98/1188989098.db2.gz TVRGGYQPOBJRMJ-HOTGVXAUSA-N 1 2 332.448 2.039 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CSC(C)C)CC2)C1 ZINC001105691842 1189406933 /nfs/dbraw/zinc/40/69/33/1189406933.db2.gz YTCTVOWYVACHAU-UHFFFAOYSA-N 1 2 326.506 2.396 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2nc3c(s2)CCC3)cc1 ZINC000905521676 1189767330 /nfs/dbraw/zinc/76/73/30/1189767330.db2.gz UCOWYOYXLFWCAE-UHFFFAOYSA-N 1 2 347.465 2.067 20 30 EEEDLO COCC[N@H+](CCNC(=O)[C@H](C)C#N)[C@@H](C)c1cc(F)ccc1F ZINC001486427135 1193942026 /nfs/dbraw/zinc/94/20/26/1193942026.db2.gz JXQGHXXRGQFJLE-OLZOCXBDSA-N 1 2 339.386 2.250 20 30 EEEDLO COCC[N@@H+](CCNC(=O)[C@H](C)C#N)[C@@H](C)c1cc(F)ccc1F ZINC001486427135 1193942028 /nfs/dbraw/zinc/94/20/28/1193942028.db2.gz JXQGHXXRGQFJLE-OLZOCXBDSA-N 1 2 339.386 2.250 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCc1cnn2c1C[N@H+](CCCCCC)CC2 ZINC001128602516 1194469530 /nfs/dbraw/zinc/46/95/30/1194469530.db2.gz LJGMRGSHUPOLTF-INIZCTEOSA-N 1 2 348.491 2.486 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCc1cnn2c1C[N@@H+](CCCCCC)CC2 ZINC001128602516 1194469533 /nfs/dbraw/zinc/46/95/33/1194469533.db2.gz LJGMRGSHUPOLTF-INIZCTEOSA-N 1 2 348.491 2.486 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001033431079 1194567083 /nfs/dbraw/zinc/56/70/83/1194567083.db2.gz ATBBHWBXAIVVFD-INMHGKMJSA-N 1 2 349.862 2.359 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001033431079 1194567086 /nfs/dbraw/zinc/56/70/86/1194567086.db2.gz ATBBHWBXAIVVFD-INMHGKMJSA-N 1 2 349.862 2.359 20 30 EEEDLO Cc1conc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033563658 1194734920 /nfs/dbraw/zinc/73/49/20/1194734920.db2.gz RCDDGECJZRNNDD-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1conc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033563658 1194734923 /nfs/dbraw/zinc/73/49/23/1194734923.db2.gz RCDDGECJZRNNDD-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CN2CCc3ccccc32)C1 ZINC001033668281 1195032620 /nfs/dbraw/zinc/03/26/20/1195032620.db2.gz GBAHBVKECPRDEM-INIZCTEOSA-N 1 2 333.863 2.334 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CN2CCc3ccccc32)C1 ZINC001033668281 1195032624 /nfs/dbraw/zinc/03/26/24/1195032624.db2.gz GBAHBVKECPRDEM-INIZCTEOSA-N 1 2 333.863 2.334 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2cccc3cccnc32)C1 ZINC001108108407 1195486186 /nfs/dbraw/zinc/48/61/86/1195486186.db2.gz WSPUMOUXTZKFHG-FQEVSTJZSA-N 1 2 339.439 2.170 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2cccc3cccnc32)C1 ZINC001108108407 1195486189 /nfs/dbraw/zinc/48/61/89/1195486189.db2.gz WSPUMOUXTZKFHG-FQEVSTJZSA-N 1 2 339.439 2.170 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2oc3ccccc3c2OC)C1 ZINC001108116984 1195763899 /nfs/dbraw/zinc/76/38/99/1195763899.db2.gz HKJWHWOQAOLCSG-IBGZPJMESA-N 1 2 344.411 2.448 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2oc3ccccc3c2OC)C1 ZINC001108116984 1195763902 /nfs/dbraw/zinc/76/39/02/1195763902.db2.gz HKJWHWOQAOLCSG-IBGZPJMESA-N 1 2 344.411 2.448 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2nocc2C)C1 ZINC001034219872 1195959518 /nfs/dbraw/zinc/95/95/18/1195959518.db2.gz QDJYSVDUCDVNCD-JZXOWHBKSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2nocc2C)C1 ZINC001034219872 1195959520 /nfs/dbraw/zinc/95/95/20/1195959520.db2.gz QDJYSVDUCDVNCD-JZXOWHBKSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001034236320 1195985336 /nfs/dbraw/zinc/98/53/36/1195985336.db2.gz ILFKLELTTZKFNM-CYBMUJFWSA-N 1 2 339.871 2.370 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001034236320 1195985339 /nfs/dbraw/zinc/98/53/39/1195985339.db2.gz ILFKLELTTZKFNM-CYBMUJFWSA-N 1 2 339.871 2.370 20 30 EEEDLO CC[C@H](F)C(=O)NC[C@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108122100 1195988570 /nfs/dbraw/zinc/98/85/70/1195988570.db2.gz MZDMKGASWQCIKC-FUHWJXTLSA-N 1 2 333.407 2.013 20 30 EEEDLO CC[C@H](F)C(=O)NC[C@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108122100 1195988574 /nfs/dbraw/zinc/98/85/74/1195988574.db2.gz MZDMKGASWQCIKC-FUHWJXTLSA-N 1 2 333.407 2.013 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnc3nccn3c2)C1 ZINC001034311295 1196080802 /nfs/dbraw/zinc/08/08/02/1196080802.db2.gz IBGKRTBLXOJOHH-CQSZACIVSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnc3nccn3c2)C1 ZINC001034311295 1196080806 /nfs/dbraw/zinc/08/08/06/1196080806.db2.gz IBGKRTBLXOJOHH-CQSZACIVSA-N 1 2 333.823 2.066 20 30 EEEDLO O=C(N[C@@H]1CCCC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1cnco1 ZINC001034332445 1196102147 /nfs/dbraw/zinc/10/21/47/1196102147.db2.gz IBPYEPPXAWVRCZ-QGZVFWFLSA-N 1 2 341.386 2.450 20 30 EEEDLO O=C(N[C@@H]1CCCC[N@H+](CC#Cc2ccc(F)cc2)C1)c1cnco1 ZINC001034332445 1196102149 /nfs/dbraw/zinc/10/21/49/1196102149.db2.gz IBPYEPPXAWVRCZ-QGZVFWFLSA-N 1 2 341.386 2.450 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H](NC(=O)c3cnco3)C2)c1 ZINC001034338521 1196110238 /nfs/dbraw/zinc/11/02/38/1196110238.db2.gz XSIZBTDXFMRXBR-HNNXBMFYSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H](NC(=O)c3cnco3)C2)c1 ZINC001034338521 1196110239 /nfs/dbraw/zinc/11/02/39/1196110239.db2.gz XSIZBTDXFMRXBR-HNNXBMFYSA-N 1 2 342.374 2.470 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2nccn3cc(C)nc23)C1 ZINC001034479754 1196268967 /nfs/dbraw/zinc/26/89/67/1196268967.db2.gz CJVKUHHLUZFFKB-CQSZACIVSA-N 1 2 347.850 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2nccn3cc(C)nc23)C1 ZINC001034479754 1196268970 /nfs/dbraw/zinc/26/89/70/1196268970.db2.gz CJVKUHHLUZFFKB-CQSZACIVSA-N 1 2 347.850 2.375 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CCCC[N@H+](Cc2ncccn2)C1 ZINC001034504690 1196305932 /nfs/dbraw/zinc/30/59/32/1196305932.db2.gz CLCNSRIJBVHXEN-IBGZPJMESA-N 1 2 348.450 2.171 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CCCC[N@@H+](Cc2ncccn2)C1 ZINC001034504690 1196305937 /nfs/dbraw/zinc/30/59/37/1196305937.db2.gz CLCNSRIJBVHXEN-IBGZPJMESA-N 1 2 348.450 2.171 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(-n2ccnc2)c1 ZINC001018126304 1224363646 /nfs/dbraw/zinc/36/36/46/1224363646.db2.gz FMFDFZWAIIQJSK-KDURUIRLSA-N 1 2 334.423 2.184 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(-n2ccnc2)c1 ZINC001018126304 1224363652 /nfs/dbraw/zinc/36/36/52/1224363652.db2.gz FMFDFZWAIIQJSK-KDURUIRLSA-N 1 2 334.423 2.184 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CCC)c2ccccn2)C1 ZINC001108162474 1196763310 /nfs/dbraw/zinc/76/33/10/1196763310.db2.gz SZLIUCJHSVVZMT-FXAWDEMLSA-N 1 2 343.471 2.196 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CCC)c2ccccn2)C1 ZINC001108162474 1196763313 /nfs/dbraw/zinc/76/33/13/1196763313.db2.gz SZLIUCJHSVVZMT-FXAWDEMLSA-N 1 2 343.471 2.196 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](F)CC)C[C@@H]1n1ccnn1 ZINC001129014396 1196763959 /nfs/dbraw/zinc/76/39/59/1196763959.db2.gz ISFDZKAVJIRXQF-BBWFWOEESA-N 1 2 349.454 2.136 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](C[C@@H](F)CC)C[C@@H]1n1ccnn1 ZINC001129014396 1196763962 /nfs/dbraw/zinc/76/39/62/1196763962.db2.gz ISFDZKAVJIRXQF-BBWFWOEESA-N 1 2 349.454 2.136 20 30 EEEDLO N#C[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000923630810 1197744550 /nfs/dbraw/zinc/74/45/50/1197744550.db2.gz BALYTQJWROKONR-HNNXBMFYSA-N 1 2 345.472 2.080 20 30 EEEDLO C[C@@H]1CSC[C@H]1N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000794713198 1197908353 /nfs/dbraw/zinc/90/83/53/1197908353.db2.gz LEBJWXYYXHNQNS-BXUZGUMPSA-N 1 2 342.468 2.398 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1CCCCCN1c1[nH+]cnc2c1cnn2C ZINC001114348494 1197920793 /nfs/dbraw/zinc/92/07/93/1197920793.db2.gz CMKCVHIVOSDJJH-AWEZNQCLSA-N 1 2 342.447 2.195 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(CC)o3)C[C@H]21)OCC ZINC001114350981 1197939867 /nfs/dbraw/zinc/93/98/67/1197939867.db2.gz JKQRXRJIOQHQLT-OLMMMNRUSA-N 1 2 347.459 2.155 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(CC)o3)C[C@H]21)OCC ZINC001114350981 1197939872 /nfs/dbraw/zinc/93/98/72/1197939872.db2.gz JKQRXRJIOQHQLT-OLMMMNRUSA-N 1 2 347.459 2.155 20 30 EEEDLO N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2cc(O)ccc2F)C1=O ZINC001273286873 1197958462 /nfs/dbraw/zinc/95/84/62/1197958462.db2.gz MMROSAITGAFVIN-GOSISDBHSA-N 1 2 331.391 2.402 20 30 EEEDLO N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(O)ccc2F)C1=O ZINC001273286873 1197958470 /nfs/dbraw/zinc/95/84/70/1197958470.db2.gz MMROSAITGAFVIN-GOSISDBHSA-N 1 2 331.391 2.402 20 30 EEEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Cl)nn1)CC2 ZINC001273346481 1198261568 /nfs/dbraw/zinc/26/15/68/1198261568.db2.gz JEAQCNABMCJDOY-AWEZNQCLSA-N 1 2 347.850 2.152 20 30 EEEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cnc(Cl)nc1NC ZINC001273373727 1198386017 /nfs/dbraw/zinc/38/60/17/1198386017.db2.gz GZERRIVCCFLSOQ-ZIAGYGMSSA-N 1 2 349.866 2.313 20 30 EEEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnc(Cl)nc1NC ZINC001273373727 1198386023 /nfs/dbraw/zinc/38/60/23/1198386023.db2.gz GZERRIVCCFLSOQ-ZIAGYGMSSA-N 1 2 349.866 2.313 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC3(F)F)C2)c1 ZINC001014893261 1224504449 /nfs/dbraw/zinc/50/44/49/1224504449.db2.gz WLAQNEAIRPRWNG-UONOGXRCSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC3(F)F)C2)c1 ZINC001014893261 1224504454 /nfs/dbraw/zinc/50/44/54/1224504454.db2.gz WLAQNEAIRPRWNG-UONOGXRCSA-N 1 2 337.345 2.433 20 30 EEEDLO C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1[nH]nc(C)c1C ZINC001133951465 1199188680 /nfs/dbraw/zinc/18/86/80/1199188680.db2.gz YIHUQKLQTTXECY-ZJUUUORDSA-N 1 2 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ZINC000967290799 1220384311 /nfs/dbraw/zinc/38/43/11/1220384311.db2.gz CYMOPQNIIZJVJH-CABZTGNLSA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(Cl)n(C)n2)C1 ZINC000967290799 1220384316 /nfs/dbraw/zinc/38/43/16/1220384316.db2.gz CYMOPQNIIZJVJH-CABZTGNLSA-N 1 2 331.247 2.266 20 30 EEEDLO C[C@H]1CC[N@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)c1n[nH]cc1F ZINC000968188864 1221115226 /nfs/dbraw/zinc/11/52/26/1221115226.db2.gz DNMUHNFDYHFXFB-YOEHRIQHSA-N 1 2 340.402 2.041 20 30 EEEDLO C[C@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)c1n[nH]cc1F ZINC000968188864 1221115230 /nfs/dbraw/zinc/11/52/30/1221115230.db2.gz DNMUHNFDYHFXFB-YOEHRIQHSA-N 1 2 340.402 2.041 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2cn(C)nc2Cl)C1 ZINC000968331751 1221215404 /nfs/dbraw/zinc/21/54/04/1221215404.db2.gz QRVKUHRRGKQKCQ-GWCFXTLKSA-N 1 2 345.274 2.195 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2cn(C)nc2Cl)C1 ZINC000968331751 1221215407 /nfs/dbraw/zinc/21/54/07/1221215407.db2.gz QRVKUHRRGKQKCQ-GWCFXTLKSA-N 1 2 345.274 2.195 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000968512405 1221367274 /nfs/dbraw/zinc/36/72/74/1221367274.db2.gz GQEZREYPAMSFDE-DYVFJYSZSA-N 1 2 338.411 2.495 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000968512405 1221367275 /nfs/dbraw/zinc/36/72/75/1221367275.db2.gz GQEZREYPAMSFDE-DYVFJYSZSA-N 1 2 338.411 2.495 20 30 EEEDLO N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000968752325 1221538379 /nfs/dbraw/zinc/53/83/79/1221538379.db2.gz LMUZCQHRBIVKRX-OLZOCXBDSA-N 1 2 347.287 2.288 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C(C)C)o2)C1 ZINC000968924362 1221675817 /nfs/dbraw/zinc/67/58/17/1221675817.db2.gz DEKOFFQBZBMKSH-CQSZACIVSA-N 1 2 343.431 2.185 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1cn(C)ccc1=O ZINC000968946372 1221693336 /nfs/dbraw/zinc/69/33/36/1221693336.db2.gz DJUDCNLINKRKEC-AWEZNQCLSA-N 1 2 337.851 2.112 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1cn(C)ccc1=O ZINC000968946372 1221693338 /nfs/dbraw/zinc/69/33/38/1221693338.db2.gz DJUDCNLINKRKEC-AWEZNQCLSA-N 1 2 337.851 2.112 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1c[nH]c(C)cc1=O ZINC000969101011 1221808571 /nfs/dbraw/zinc/80/85/71/1221808571.db2.gz OCGLRMZIDGPZPU-CQSZACIVSA-N 1 2 337.851 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1c[nH]c(C)cc1=O ZINC000969101011 1221808574 /nfs/dbraw/zinc/80/85/74/1221808574.db2.gz OCGLRMZIDGPZPU-CQSZACIVSA-N 1 2 337.851 2.410 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)[nH]n1 ZINC001006847589 1221976742 /nfs/dbraw/zinc/97/67/42/1221976742.db2.gz TVUXPXPQVXQENV-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)[nH]n1 ZINC001006847589 1221976745 /nfs/dbraw/zinc/97/67/45/1221976745.db2.gz TVUXPXPQVXQENV-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CCCCO3)C2)ccc1F ZINC001007123045 1222102365 /nfs/dbraw/zinc/10/23/65/1222102365.db2.gz TVYZJYXKYOJTNQ-FUHWJXTLSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3CCCCO3)C2)ccc1F ZINC001007123045 1222102370 /nfs/dbraw/zinc/10/23/70/1222102370.db2.gz TVYZJYXKYOJTNQ-FUHWJXTLSA-N 1 2 345.418 2.347 20 30 EEEDLO Cc1ncc(CC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)o1 ZINC001007489382 1222256369 /nfs/dbraw/zinc/25/63/69/1222256369.db2.gz RVVUWYFKYKMBCT-KRWDZBQOSA-N 1 2 338.411 2.178 20 30 EEEDLO Cc1ncc(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)o1 ZINC001007489382 1222256372 /nfs/dbraw/zinc/25/63/72/1222256372.db2.gz RVVUWYFKYKMBCT-KRWDZBQOSA-N 1 2 338.411 2.178 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001008016298 1222567204 /nfs/dbraw/zinc/56/72/04/1222567204.db2.gz QKLWRCWQYCSKNB-GFCCVEGCSA-N 1 2 347.850 2.467 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001008016298 1222567206 /nfs/dbraw/zinc/56/72/06/1222567206.db2.gz QKLWRCWQYCSKNB-GFCCVEGCSA-N 1 2 347.850 2.467 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnc(C)cn3)C2)cc1 ZINC001008147251 1222652128 /nfs/dbraw/zinc/65/21/28/1222652128.db2.gz JBXLYKGOXBBVTJ-SFHVURJKSA-N 1 2 334.423 2.161 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cnc(C)cn3)C2)cc1 ZINC001008147251 1222652132 /nfs/dbraw/zinc/65/21/32/1222652132.db2.gz JBXLYKGOXBBVTJ-SFHVURJKSA-N 1 2 334.423 2.161 20 30 EEEDLO CCc1nc[nH]c1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001009366478 1223223923 /nfs/dbraw/zinc/22/39/23/1223223923.db2.gz TZJCBGDMUFIFIB-QGZVFWFLSA-N 1 2 336.439 2.218 20 30 EEEDLO CCc1nc[nH]c1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001009366478 1223223927 /nfs/dbraw/zinc/22/39/27/1223223927.db2.gz TZJCBGDMUFIFIB-QGZVFWFLSA-N 1 2 336.439 2.218 20 30 EEEDLO Cc1noc(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010122745 1223562096 /nfs/dbraw/zinc/56/20/96/1223562096.db2.gz HHVOIGXBTFIDPA-HNNXBMFYSA-N 1 2 342.374 2.307 20 30 EEEDLO Cc1noc(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010122745 1223562098 /nfs/dbraw/zinc/56/20/98/1223562098.db2.gz HHVOIGXBTFIDPA-HNNXBMFYSA-N 1 2 342.374 2.307 20 30 EEEDLO Cc1cccnc1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010491389 1223745991 /nfs/dbraw/zinc/74/59/91/1223745991.db2.gz QITCJPASAPUMQP-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cccnc1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010491389 1223745993 /nfs/dbraw/zinc/74/59/93/1223745993.db2.gz QITCJPASAPUMQP-MRXNPFEDSA-N 1 2 338.386 2.405 20 30 EEEDLO CCc1nc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)co1 ZINC001010676731 1223846639 /nfs/dbraw/zinc/84/66/39/1223846639.db2.gz STIOHWHXAIIPSD-MRXNPFEDSA-N 1 2 341.386 2.232 20 30 EEEDLO CCc1nc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)co1 ZINC001010676731 1223846641 /nfs/dbraw/zinc/84/66/41/1223846641.db2.gz STIOHWHXAIIPSD-MRXNPFEDSA-N 1 2 341.386 2.232 20 30 EEEDLO Cc1cc[nH]c1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010831853 1223928913 /nfs/dbraw/zinc/92/89/13/1223928913.db2.gz AYRVOHBMNORQTO-KRWDZBQOSA-N 1 2 325.387 2.318 20 30 EEEDLO Cc1cc[nH]c1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010831853 1223928916 /nfs/dbraw/zinc/92/89/16/1223928916.db2.gz AYRVOHBMNORQTO-KRWDZBQOSA-N 1 2 325.387 2.318 20 30 EEEDLO CN(C)c1ccnc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)c1 ZINC001016385953 1226422754 /nfs/dbraw/zinc/42/27/54/1226422754.db2.gz ZZNIXRULHRYXOB-SFHVURJKSA-N 1 2 348.450 2.003 20 30 EEEDLO CN(C)c1ccnc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC001016385953 1226422756 /nfs/dbraw/zinc/42/27/56/1226422756.db2.gz ZZNIXRULHRYXOB-SFHVURJKSA-N 1 2 348.450 2.003 20 30 EEEDLO CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC001016766022 1226854798 /nfs/dbraw/zinc/85/47/98/1226854798.db2.gz MEJGQPQYNNKWAO-KRWDZBQOSA-N 1 2 349.438 2.079 20 30 EEEDLO CCc1nnc(C[N@H+](C)C[C@@H]2CCCN(C(=O)C#CC3CC3)C2)s1 ZINC001017127174 1227150433 /nfs/dbraw/zinc/15/04/33/1227150433.db2.gz LTEDCZDXIPKNLP-HNNXBMFYSA-N 1 2 346.500 2.184 20 30 EEEDLO CCc1nnc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)C#CC3CC3)C2)s1 ZINC001017127174 1227150438 /nfs/dbraw/zinc/15/04/38/1227150438.db2.gz LTEDCZDXIPKNLP-HNNXBMFYSA-N 1 2 346.500 2.184 20 30 EEEDLO Cc1cccnc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C#N)c1 ZINC001017489865 1227462891 /nfs/dbraw/zinc/46/28/91/1227462891.db2.gz NBZTUSMZXHXODQ-CALCHBBNSA-N 1 2 335.411 2.079 20 30 EEEDLO Cc1cccnc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C#N)c1 ZINC001017489865 1227462894 /nfs/dbraw/zinc/46/28/94/1227462894.db2.gz NBZTUSMZXHXODQ-CALCHBBNSA-N 1 2 335.411 2.079 20 30 EEEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1scnc1C(F)F ZINC001017726742 1227679866 /nfs/dbraw/zinc/67/98/66/1227679866.db2.gz SDEHSCAKOPERJM-PHIMTYICSA-N 1 2 325.384 2.393 20 30 EEEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1scnc1C(F)F ZINC001017726742 1227679867 /nfs/dbraw/zinc/67/98/67/1227679867.db2.gz SDEHSCAKOPERJM-PHIMTYICSA-N 1 2 325.384 2.393 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2ccc(F)cc2O1 ZINC001017734637 1227688278 /nfs/dbraw/zinc/68/82/78/1227688278.db2.gz XKBVVERMOIGCQY-FGTMMUONSA-N 1 2 342.414 2.218 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2ccc(F)cc2O1 ZINC001017734637 1227688281 /nfs/dbraw/zinc/68/82/81/1227688281.db2.gz XKBVVERMOIGCQY-FGTMMUONSA-N 1 2 342.414 2.218 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2c(F)cncc2F)cc1 ZINC001038296076 1229729071 /nfs/dbraw/zinc/72/90/71/1229729071.db2.gz BZWVWTVYOWGHMM-CQSZACIVSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2c(F)cncc2F)cc1 ZINC001038296076 1229729074 /nfs/dbraw/zinc/72/90/74/1229729074.db2.gz BZWVWTVYOWGHMM-CQSZACIVSA-N 1 2 342.349 2.236 20 30 EEEDLO Cn1ncc(C2CC2)c1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038337357 1229753513 /nfs/dbraw/zinc/75/35/13/1229753513.db2.gz UNLFSVDCJAEOJK-QGZVFWFLSA-N 1 2 349.438 2.173 20 30 EEEDLO Cn1ncc(C2CC2)c1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038337357 1229753514 /nfs/dbraw/zinc/75/35/14/1229753514.db2.gz UNLFSVDCJAEOJK-QGZVFWFLSA-N 1 2 349.438 2.173 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@]23CCC[C@H]2OCC3)s1 ZINC001038508845 1229880856 /nfs/dbraw/zinc/88/08/56/1229880856.db2.gz QLPHPQBUJIBQIZ-XCRHUMRWSA-N 1 2 345.468 2.269 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@]23CCC[C@H]2OCC3)s1 ZINC001038508845 1229880857 /nfs/dbraw/zinc/88/08/57/1229880857.db2.gz QLPHPQBUJIBQIZ-XCRHUMRWSA-N 1 2 345.468 2.269 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCn2cc(Cl)cn2)CC1 ZINC001038668224 1229963200 /nfs/dbraw/zinc/96/32/00/1229963200.db2.gz SOMXSSKQXZKESC-INIZCTEOSA-N 1 2 336.867 2.473 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCn2cc(Cl)cn2)CC1 ZINC001038668224 1229963204 /nfs/dbraw/zinc/96/32/04/1229963204.db2.gz SOMXSSKQXZKESC-INIZCTEOSA-N 1 2 336.867 2.473 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccnc1 ZINC001038796016 1230063254 /nfs/dbraw/zinc/06/32/54/1230063254.db2.gz LLNOXLVSNOWQCP-SQNIBIBYSA-N 1 2 329.444 2.143 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cccnc1 ZINC001038796016 1230063257 /nfs/dbraw/zinc/06/32/57/1230063257.db2.gz LLNOXLVSNOWQCP-SQNIBIBYSA-N 1 2 329.444 2.143 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc3c([nH]2)CCC3)s1 ZINC001038906876 1230153115 /nfs/dbraw/zinc/15/31/15/1230153115.db2.gz SRAHFRQCFNPNAC-ZDUSSCGKSA-N 1 2 340.452 2.441 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc3c([nH]2)CCC3)s1 ZINC001038906876 1230153117 /nfs/dbraw/zinc/15/31/17/1230153117.db2.gz SRAHFRQCFNPNAC-ZDUSSCGKSA-N 1 2 340.452 2.441 20 30 EEEDLO CC(C)c1ncncc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001039032686 1230250635 /nfs/dbraw/zinc/25/06/35/1230250635.db2.gz NFFVFWAIXCYXRT-KRWDZBQOSA-N 1 2 349.438 2.476 20 30 EEEDLO CC(C)c1ncncc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001039032686 1230250637 /nfs/dbraw/zinc/25/06/37/1230250637.db2.gz NFFVFWAIXCYXRT-KRWDZBQOSA-N 1 2 349.438 2.476 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H](C)C(=O)N(C)C ZINC001039897298 1230895364 /nfs/dbraw/zinc/89/53/64/1230895364.db2.gz XGGGMKFOPJYHTN-JEWRLFTDSA-N 1 2 335.492 2.131 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N(C)C ZINC001039897298 1230895367 /nfs/dbraw/zinc/89/53/67/1230895367.db2.gz XGGGMKFOPJYHTN-JEWRLFTDSA-N 1 2 335.492 2.131 20 30 EEEDLO Cc1nsc(N[C@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@H]2C)c1C#N ZINC001040212379 1231107221 /nfs/dbraw/zinc/10/72/21/1231107221.db2.gz TVFOEWVAGXMNEN-JSGCOSHPSA-N 1 2 344.444 2.011 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2nnc(C)[nH]2)C3)C1 ZINC001040381103 1231196309 /nfs/dbraw/zinc/19/63/09/1231196309.db2.gz VIFWUZUNHCZZSS-LJQANCHMSA-N 1 2 343.475 2.284 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2nnc(C)[nH]2)C3)C1 ZINC001040381103 1231196314 /nfs/dbraw/zinc/19/63/14/1231196314.db2.gz VIFWUZUNHCZZSS-LJQANCHMSA-N 1 2 343.475 2.284 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ncnn3C(C)C)C2)C1 ZINC001041545765 1231589859 /nfs/dbraw/zinc/58/98/59/1231589859.db2.gz XUWFJRSLQGFFSA-IBGZPJMESA-N 1 2 345.491 2.496 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@H+](Cc3ncnn3C(C)C)C2)C1 ZINC001041545765 1231589862 /nfs/dbraw/zinc/58/98/62/1231589862.db2.gz XUWFJRSLQGFFSA-IBGZPJMESA-N 1 2 345.491 2.496 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(CC)nn3)[C@H]2C1 ZINC001042182351 1231941563 /nfs/dbraw/zinc/94/15/63/1231941563.db2.gz DSLJVODBTQDDIE-WBVHZDCISA-N 1 2 345.491 2.323 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(CC)nn3)[C@H]2C1 ZINC001042182351 1231941565 /nfs/dbraw/zinc/94/15/65/1231941565.db2.gz DSLJVODBTQDDIE-WBVHZDCISA-N 1 2 345.491 2.323 20 30 EEEDLO CN(C(=O)[C@@H]1CC1(C)C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001042624761 1232123925 /nfs/dbraw/zinc/12/39/25/1232123925.db2.gz WIUMDRLXGVYJCY-KRWDZBQOSA-N 1 2 327.428 2.278 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C[C@@H]1C ZINC001067407207 1232151656 /nfs/dbraw/zinc/15/16/56/1232151656.db2.gz CQUUAGFCOGFIHN-HNAYVOBHSA-N 1 2 348.450 2.340 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NCCCN(CC)c1cc[nH+]c(C)n1 ZINC001095938907 1232379347 /nfs/dbraw/zinc/37/93/47/1232379347.db2.gz XWHDDVOAHZIJTC-GOSISDBHSA-N 1 2 334.464 2.346 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](CCOc2ccccc2)C1 ZINC001044037418 1232683524 /nfs/dbraw/zinc/68/35/24/1232683524.db2.gz HOYUVBZXOPKEIP-OALUTQOASA-N 1 2 344.455 2.189 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](Cc3cccc(OC)c3C)C2)cn1 ZINC001044205052 1232787003 /nfs/dbraw/zinc/78/70/03/1232787003.db2.gz KFCVHALLIKJNKD-UHFFFAOYSA-N 1 2 349.434 2.336 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)C2CCOCC2)CC1 ZINC001045342134 1233682087 /nfs/dbraw/zinc/68/20/87/1233682087.db2.gz BXMABQFVLDNRIK-UHFFFAOYSA-N 1 2 345.281 2.292 20 30 EEEDLO Cc1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)on1 ZINC001046127634 1234471122 /nfs/dbraw/zinc/47/11/22/1234471122.db2.gz BQQLREMSDWHMTR-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)on1 ZINC001046127634 1234471124 /nfs/dbraw/zinc/47/11/24/1234471124.db2.gz BQQLREMSDWHMTR-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)s1 ZINC001046225095 1234571643 /nfs/dbraw/zinc/57/16/43/1234571643.db2.gz XGMVCCGHQWQURS-MRXNPFEDSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)s1 ZINC001046225095 1234571646 /nfs/dbraw/zinc/57/16/46/1234571646.db2.gz XGMVCCGHQWQURS-MRXNPFEDSA-N 1 2 329.429 2.046 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCOCC2)C1 ZINC001046274665 1234619444 /nfs/dbraw/zinc/61/94/44/1234619444.db2.gz BRWDQLRTCLENLF-DZGCQCFKSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCOCC2)C1 ZINC001046274665 1234619446 /nfs/dbraw/zinc/61/94/46/1234619446.db2.gz BRWDQLRTCLENLF-DZGCQCFKSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC001046671850 1235059319 /nfs/dbraw/zinc/05/93/19/1235059319.db2.gz ZJPPXBRNRMMWSN-RDJZCZTQSA-N 1 2 338.810 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC001046671850 1235059322 /nfs/dbraw/zinc/05/93/22/1235059322.db2.gz ZJPPXBRNRMMWSN-RDJZCZTQSA-N 1 2 338.810 2.462 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)c2ccnc(C)c2)C1 ZINC001046714074 1235102544 /nfs/dbraw/zinc/10/25/44/1235102544.db2.gz KXOROQIQWKULPB-OAHLLOKOSA-N 1 2 338.249 2.493 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccnc(C)c2)C1 ZINC001046714074 1235102545 /nfs/dbraw/zinc/10/25/45/1235102545.db2.gz KXOROQIQWKULPB-OAHLLOKOSA-N 1 2 338.249 2.493 20 30 EEEDLO CCNc1ccc(C#N)cc1NC(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000901042064 1235151830 /nfs/dbraw/zinc/15/18/30/1235151830.db2.gz ZMPULTZMQFJVKI-UHFFFAOYSA-N 1 2 343.475 2.345 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001046778778 1235176928 /nfs/dbraw/zinc/17/69/28/1235176928.db2.gz IZJMGRGGCGXATD-GOSISDBHSA-N 1 2 349.862 2.335 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001046778778 1235176929 /nfs/dbraw/zinc/17/69/29/1235176929.db2.gz IZJMGRGGCGXATD-GOSISDBHSA-N 1 2 349.862 2.335 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)c2[nH]cnc2CC)C1 ZINC001046802751 1235202759 /nfs/dbraw/zinc/20/27/59/1235202759.db2.gz LQOXGAUJASKDAN-AWEZNQCLSA-N 1 2 341.253 2.075 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)c2[nH]cnc2CC)C1 ZINC001046802751 1235202762 /nfs/dbraw/zinc/20/27/62/1235202762.db2.gz LQOXGAUJASKDAN-AWEZNQCLSA-N 1 2 341.253 2.075 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001046807998 1235206493 /nfs/dbraw/zinc/20/64/93/1235206493.db2.gz PASARSCNSXWCON-SJCJKPOMSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001046807998 1235206495 /nfs/dbraw/zinc/20/64/95/1235206495.db2.gz PASARSCNSXWCON-SJCJKPOMSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001047556493 1236195819 /nfs/dbraw/zinc/19/58/19/1236195819.db2.gz VHONXPVFRGBEOF-XHSDSOJGSA-N 1 2 344.459 2.194 20 30 EEEDLO C=CCCC(=O)NCC[NH+]1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001096272025 1236938232 /nfs/dbraw/zinc/93/82/32/1236938232.db2.gz HZYSGYORMPIQTR-UHFFFAOYSA-N 1 2 346.431 2.108 20 30 EEEDLO CCC[C@@H](C)CC(=O)NCC[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC001096278106 1237014526 /nfs/dbraw/zinc/01/45/26/1237014526.db2.gz DKMZAJAUCRJBQX-MRXNPFEDSA-N 1 2 343.475 2.018 20 30 EEEDLO CCC[C@H](C)CC(=O)NCC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC001096278734 1237023801 /nfs/dbraw/zinc/02/38/01/1237023801.db2.gz KKUFBQVGGHLEOB-INIZCTEOSA-N 1 2 343.475 2.018 20 30 EEEDLO CCCC[C@@H](C)C(=O)NCC[NH+]1CCN(c2ccncc2C#N)CC1 ZINC001096282132 1237062844 /nfs/dbraw/zinc/06/28/44/1237062844.db2.gz ZCFLDHMRKZDZOM-MRXNPFEDSA-N 1 2 343.475 2.018 20 30 EEEDLO COCC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001111428917 1237381117 /nfs/dbraw/zinc/38/11/17/1237381117.db2.gz QFJCTKXQSWYQRG-PIKADFDJSA-N 1 2 341.455 2.452 20 30 EEEDLO COCC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001111428917 1237381122 /nfs/dbraw/zinc/38/11/22/1237381122.db2.gz QFJCTKXQSWYQRG-PIKADFDJSA-N 1 2 341.455 2.452 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001056423475 1239357402 /nfs/dbraw/zinc/35/74/02/1239357402.db2.gz OCVJNCJKQNMLRD-JKSUJKDBSA-N 1 2 344.459 2.077 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)nc1 ZINC001056672919 1239615608 /nfs/dbraw/zinc/61/56/08/1239615608.db2.gz OVCSVPDBNYCQFF-MRXNPFEDSA-N 1 2 347.422 2.365 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C4CC4)no3)C[C@@H]2C1 ZINC001049034150 1239807753 /nfs/dbraw/zinc/80/77/53/1239807753.db2.gz CHUBGUUHXRQUDE-ZRGWGRIASA-N 1 2 344.459 2.440 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C4CC4)no3)C[C@@H]2C1 ZINC001049034150 1239807757 /nfs/dbraw/zinc/80/77/57/1239807757.db2.gz CHUBGUUHXRQUDE-ZRGWGRIASA-N 1 2 344.459 2.440 20 30 EEEDLO CCc1nc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H](C)C#N)cs1 ZINC001049372782 1240713073 /nfs/dbraw/zinc/71/30/73/1240713073.db2.gz NQSHDHZVEXQNKT-AEGPPILISA-N 1 2 332.473 2.430 20 30 EEEDLO CCc1nc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H](C)C#N)cs1 ZINC001049372782 1240713080 /nfs/dbraw/zinc/71/30/80/1240713080.db2.gz NQSHDHZVEXQNKT-AEGPPILISA-N 1 2 332.473 2.430 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C#CC2CC2)cs1 ZINC001049456784 1240971803 /nfs/dbraw/zinc/97/18/03/1240971803.db2.gz OUIXOINKGVAQIP-SJORKVTESA-N 1 2 329.469 2.430 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C#CC2CC2)cs1 ZINC001049456784 1240971808 /nfs/dbraw/zinc/97/18/08/1240971808.db2.gz OUIXOINKGVAQIP-SJORKVTESA-N 1 2 329.469 2.430 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001067881547 1249868421 /nfs/dbraw/zinc/86/84/21/1249868421.db2.gz CDXPJLJDBWXZTH-HNNXBMFYSA-N 1 2 334.464 2.170 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn[nH]c1-c1ccccn1 ZINC001049519847 1241220105 /nfs/dbraw/zinc/22/01/05/1241220105.db2.gz USJXDQOBRDAADX-ZWKOTPCHSA-N 1 2 349.438 2.174 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cn[nH]c1-c1ccccn1 ZINC001049519847 1241220110 /nfs/dbraw/zinc/22/01/10/1241220110.db2.gz USJXDQOBRDAADX-ZWKOTPCHSA-N 1 2 349.438 2.174 20 30 EEEDLO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001049633104 1241712895 /nfs/dbraw/zinc/71/28/95/1241712895.db2.gz GGYDXKVHNUMKQH-IAGOWNOFSA-N 1 2 337.427 2.337 20 30 EEEDLO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001049633104 1241712899 /nfs/dbraw/zinc/71/28/99/1241712899.db2.gz GGYDXKVHNUMKQH-IAGOWNOFSA-N 1 2 337.427 2.337 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001001169013 1241761715 /nfs/dbraw/zinc/76/17/15/1241761715.db2.gz KUUFGQFDNXEDHH-HUUCEWRRSA-N 1 2 334.851 2.024 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001001169013 1241761724 /nfs/dbraw/zinc/76/17/24/1241761724.db2.gz KUUFGQFDNXEDHH-HUUCEWRRSA-N 1 2 334.851 2.024 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3Cc2nc(C)no2)C1 ZINC001049708752 1241945739 /nfs/dbraw/zinc/94/57/39/1241945739.db2.gz PUYVLBSGRKYCOY-CABCVRRESA-N 1 2 330.432 2.300 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2nc(C)no2)C1 ZINC001049708752 1241945747 /nfs/dbraw/zinc/94/57/47/1241945747.db2.gz PUYVLBSGRKYCOY-CABCVRRESA-N 1 2 330.432 2.300 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)CC1(C)C ZINC001073340529 1242359961 /nfs/dbraw/zinc/35/99/61/1242359961.db2.gz QQBHCKWBOMILES-OAHLLOKOSA-N 1 2 346.475 2.062 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001073468337 1242526317 /nfs/dbraw/zinc/52/63/17/1242526317.db2.gz BKCJOMRIEDLSGL-HOCLYGCPSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001097311543 1243974976 /nfs/dbraw/zinc/97/49/76/1243974976.db2.gz LXXYWYJMOHHTSS-WBVHZDCISA-N 1 2 346.475 2.326 20 30 EEEDLO Cc1nc(N2CCCC[C@H]2CNC(=O)[C@@H](C)C#N)c2c([nH+]1)CCCC2 ZINC001097402004 1244107407 /nfs/dbraw/zinc/10/74/07/1244107407.db2.gz 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CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3c4cn[nH]c4CC[C@H]3C)C2)C1 ZINC000981899517 778505514 /nfs/dbraw/zinc/50/55/14/778505514.db2.gz LGJCQURATMHYOY-CRAIPNDOSA-N 1 2 340.471 2.023 20 30 EEEDLO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3c4cn[nH]c4CC[C@H]3C)C2)C1 ZINC000981899517 778505519 /nfs/dbraw/zinc/50/55/19/778505519.db2.gz LGJCQURATMHYOY-CRAIPNDOSA-N 1 2 340.471 2.023 20 30 EEEDLO C[C@@H](C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000981912748 778515754 /nfs/dbraw/zinc/51/57/54/778515754.db2.gz PPLDVJFXFNHXNQ-QUCCMNQESA-N 1 2 340.467 2.388 20 30 EEEDLO C[C@@H](C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000981912748 778515757 /nfs/dbraw/zinc/51/57/57/778515757.db2.gz PPLDVJFXFNHXNQ-QUCCMNQESA-N 1 2 340.467 2.388 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000940891293 779470508 /nfs/dbraw/zinc/47/05/08/779470508.db2.gz ZCCPHWSCVPHBFX-SFHVURJKSA-N 1 2 332.448 2.006 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2csc(C)n2)nc1 ZINC001028271184 779845920 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C#CCCCC(=O)NCC[NH2+]Cc1nc(-c2cccc(C)c2)no1 ZINC001126355773 780752809 /nfs/dbraw/zinc/75/28/09/780752809.db2.gz HLBAXXGDYGZXNG-UHFFFAOYSA-N 1 2 326.400 2.054 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC001028338160 780817971 /nfs/dbraw/zinc/81/79/71/780817971.db2.gz YLBJJIPUDFIYEA-CYBMUJFWSA-N 1 2 348.834 2.226 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC001028338160 780817981 /nfs/dbraw/zinc/81/79/81/780817981.db2.gz YLBJJIPUDFIYEA-CYBMUJFWSA-N 1 2 348.834 2.226 20 30 EEEDLO N#Cc1cc(CN2CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)ccc1F ZINC001030527306 790831699 /nfs/dbraw/zinc/83/16/99/790831699.db2.gz HIVTZYWBTGEDAD-UHFFFAOYSA-N 1 2 349.369 2.188 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC000941671658 780883570 /nfs/dbraw/zinc/88/35/70/780883570.db2.gz UCFLCTOJXWHHIO-UHFFFAOYSA-N 1 2 344.459 2.105 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@H](CC)CCCC)C2)nn1 ZINC001098690026 781180761 /nfs/dbraw/zinc/18/07/61/781180761.db2.gz GBCBSPHSGYFUCJ-SJLPKXTDSA-N 1 2 345.491 2.381 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](n2cc(C[NH2+]C/C=C/Cl)nn2)C1 ZINC001098697970 781448363 /nfs/dbraw/zinc/44/83/63/781448363.db2.gz MXJUWSCAWKHXQS-HZRUHFOJSA-N 1 2 337.855 2.106 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCCCC[C@H]([NH2+]Cc2noc(C3CCC3)n2)C1 ZINC001088281738 783354571 /nfs/dbraw/zinc/35/45/71/783354571.db2.gz SBNKBUNMUNPKSX-ZFWWWQNUSA-N 1 2 345.447 2.358 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2nocc2C)C1 ZINC001131939190 783494942 /nfs/dbraw/zinc/49/49/42/783494942.db2.gz OAYAUAHPVFOIAZ-JKSUJKDBSA-N 1 2 335.448 2.435 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2nocc2C)C1 ZINC001131939190 783494946 /nfs/dbraw/zinc/49/49/46/783494946.db2.gz OAYAUAHPVFOIAZ-JKSUJKDBSA-N 1 2 335.448 2.435 20 30 EEEDLO C=CCOCCCC(=O)NCC[NH2+][C@H](C)c1nnc(CC(C)C)o1 ZINC001125256401 783665571 /nfs/dbraw/zinc/66/55/71/783665571.db2.gz VQUYJBDKQLLXBK-CQSZACIVSA-N 1 2 338.452 2.018 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079070609 790989032 /nfs/dbraw/zinc/98/90/32/790989032.db2.gz NQVSKAQFWYPAIH-BEFAXECRSA-N 1 2 346.475 2.394 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001035398900 784444615 /nfs/dbraw/zinc/44/46/15/784444615.db2.gz NCZVMBSQBZUAGO-GOSISDBHSA-N 1 2 327.428 2.254 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001035398900 784444620 /nfs/dbraw/zinc/44/46/20/784444620.db2.gz NCZVMBSQBZUAGO-GOSISDBHSA-N 1 2 327.428 2.254 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001035413616 784489777 /nfs/dbraw/zinc/48/97/77/784489777.db2.gz FJRXFUOWOSXZDH-MJBXVCDLSA-N 1 2 334.382 2.358 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001035413616 784489786 /nfs/dbraw/zinc/48/97/86/784489786.db2.gz FJRXFUOWOSXZDH-MJBXVCDLSA-N 1 2 334.382 2.358 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC001035472302 784550808 /nfs/dbraw/zinc/55/08/08/784550808.db2.gz AUFMDCLLSQYIRZ-OAHLLOKOSA-N 1 2 327.428 2.401 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC001035472302 784550821 /nfs/dbraw/zinc/55/08/21/784550821.db2.gz AUFMDCLLSQYIRZ-OAHLLOKOSA-N 1 2 327.428 2.401 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC001035464937 784587395 /nfs/dbraw/zinc/58/73/95/784587395.db2.gz BDDVUKOBFCODPS-ZDUSSCGKSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC001035464937 784587406 /nfs/dbraw/zinc/58/74/06/784587406.db2.gz BDDVUKOBFCODPS-ZDUSSCGKSA-N 1 2 343.349 2.107 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C(F)F)c(F)c2)C1 ZINC001035506402 784608208 /nfs/dbraw/zinc/60/82/08/784608208.db2.gz RACPPZMIWLKRLU-ZDUSSCGKSA-N 1 2 340.345 2.217 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C(F)F)c(F)c2)C1 ZINC001035506402 784608217 /nfs/dbraw/zinc/60/82/17/784608217.db2.gz RACPPZMIWLKRLU-ZDUSSCGKSA-N 1 2 340.345 2.217 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc3ccncc32)C1 ZINC001035563278 784738886 /nfs/dbraw/zinc/73/88/86/784738886.db2.gz QSTCXPCJXHSTTR-INIZCTEOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccc3ccncc32)C1 ZINC001035563278 784738890 /nfs/dbraw/zinc/73/88/90/784738890.db2.gz QSTCXPCJXHSTTR-INIZCTEOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccsc2C(F)(F)F)C1 ZINC001035585952 784791709 /nfs/dbraw/zinc/79/17/09/784791709.db2.gz COPKEFZJSYHWJZ-JTQLQIEISA-N 1 2 334.363 2.384 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccsc2C(F)(F)F)C1 ZINC001035585952 784791712 /nfs/dbraw/zinc/79/17/12/784791712.db2.gz COPKEFZJSYHWJZ-JTQLQIEISA-N 1 2 334.363 2.384 20 30 EEEDLO C=CCNC(=O)C[NH2+][C@H](c1nc(Br)cs1)C1CC1 ZINC000817580549 784846575 /nfs/dbraw/zinc/84/65/75/784846575.db2.gz LCFDEKZMEVSBCA-NSHDSACASA-N 1 2 330.251 2.249 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cn3c(n1)CCC3)CC2 ZINC001035708103 784990592 /nfs/dbraw/zinc/99/05/92/784990592.db2.gz BQQYPUVEWNZUJN-UHFFFAOYSA-N 1 2 334.851 2.120 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C)c1ccnn1C)CC2 ZINC001035708654 784991728 /nfs/dbraw/zinc/99/17/28/784991728.db2.gz GSEWMFWOIYHCCB-CQSZACIVSA-N 1 2 336.867 2.201 20 30 EEEDLO C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1c3cn[nH]c3CC[C@@H]1C)CC2 ZINC001035752313 785059089 /nfs/dbraw/zinc/05/90/89/785059089.db2.gz GKMXNIAJFHZURG-WMLDXEAASA-N 1 2 328.460 2.186 20 30 EEEDLO CC(C)CC(=O)NC[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001149109030 791099166 /nfs/dbraw/zinc/09/91/66/791099166.db2.gz HLTATEOMGVGAKL-KRWDZBQOSA-N 1 2 347.434 2.451 20 30 EEEDLO CC(C)CC(=O)NC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001149109030 791099172 /nfs/dbraw/zinc/09/91/72/791099172.db2.gz HLTATEOMGVGAKL-KRWDZBQOSA-N 1 2 347.434 2.451 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3(CC=C)CCCC3)nn2)C1 ZINC001107244223 786573805 /nfs/dbraw/zinc/57/38/05/786573805.db2.gz RTDKITPWEFGGFQ-UHFFFAOYSA-N 1 2 329.448 2.074 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(C(C)C)nn1)C2 ZINC001111648823 786908323 /nfs/dbraw/zinc/90/83/23/786908323.db2.gz QHOYTVPRNHNFOP-YJBOKZPZSA-N 1 2 331.464 2.296 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(C(C)C)nn1)C2 ZINC001111648823 786908331 /nfs/dbraw/zinc/90/83/31/786908331.db2.gz QHOYTVPRNHNFOP-YJBOKZPZSA-N 1 2 331.464 2.296 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)cn2)[C@@H](O)C1 ZINC001090572603 787015100 /nfs/dbraw/zinc/01/51/00/787015100.db2.gz HAIPZKQZSXJBQZ-HOCLYGCPSA-N 1 2 337.851 2.123 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)cn2)[C@@H](O)C1 ZINC001090572603 787015111 /nfs/dbraw/zinc/01/51/11/787015111.db2.gz HAIPZKQZSXJBQZ-HOCLYGCPSA-N 1 2 337.851 2.123 20 30 EEEDLO C#CCC1(C(=O)N2CCCO[C@H](CNc3cc[nH+]c(C)n3)C2)CCC1 ZINC001090578719 787039063 /nfs/dbraw/zinc/03/90/63/787039063.db2.gz RSWZOPBJOJYMNA-MRXNPFEDSA-N 1 2 342.443 2.008 20 30 EEEDLO O=C(NCC[NH2+]CC#Cc1ccc(Cl)cc1)C(F)C(F)(F)F ZINC001127779101 787315456 /nfs/dbraw/zinc/31/54/56/787315456.db2.gz JACQLZWBEAFVHV-LBPRGKRZSA-N 1 2 336.716 2.298 20 30 EEEDLO O=C(NCC[NH2+]CC#Cc1ccc(Cl)cc1)[C@H](F)C(F)(F)F ZINC001127779101 787315467 /nfs/dbraw/zinc/31/54/67/787315467.db2.gz JACQLZWBEAFVHV-LBPRGKRZSA-N 1 2 336.716 2.298 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc3c2ccn3C)[C@@H](O)C1 ZINC001090650262 787606148 /nfs/dbraw/zinc/60/61/48/787606148.db2.gz JCYOCFZMGKOCIJ-WBVHZDCISA-N 1 2 347.846 2.096 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3c2ccn3C)[C@@H](O)C1 ZINC001090650262 787606151 /nfs/dbraw/zinc/60/61/51/787606151.db2.gz JCYOCFZMGKOCIJ-WBVHZDCISA-N 1 2 347.846 2.096 20 30 EEEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc2n(n1)CCC2 ZINC001109658146 805839990 /nfs/dbraw/zinc/83/99/90/805839990.db2.gz SYLXJQYWSOADGA-NJAFHUGGSA-N 1 2 328.460 2.407 20 30 EEEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc2n(n1)CCC2 ZINC001109658146 805839999 /nfs/dbraw/zinc/83/99/99/805839999.db2.gz SYLXJQYWSOADGA-NJAFHUGGSA-N 1 2 328.460 2.407 20 30 EEEDLO C=C(C)[C@H](CC(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C)OCC ZINC001090777626 788217004 /nfs/dbraw/zinc/21/70/04/788217004.db2.gz CZASUNISANPFHQ-BMFZPTHFSA-N 1 2 332.448 2.097 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cncn2C)CCC1 ZINC001109683347 805871839 /nfs/dbraw/zinc/87/18/39/805871839.db2.gz HSGHUWGGQIRSTN-PVAVHDDUSA-N 1 2 328.460 2.388 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cncn2C)CCC1 ZINC001109683347 805871849 /nfs/dbraw/zinc/87/18/49/805871849.db2.gz HSGHUWGGQIRSTN-PVAVHDDUSA-N 1 2 328.460 2.388 20 30 EEEDLO Cc1cc(NC2(CNC(=O)c3ccc(C#N)[nH]3)CC2)nc(C(C)C)[nH+]1 ZINC001110109310 788555823 /nfs/dbraw/zinc/55/58/23/788555823.db2.gz LRXVZFAIYOFGGJ-UHFFFAOYSA-N 1 2 338.415 2.483 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(F)c(F)c2F)C1 ZINC001108168335 788623568 /nfs/dbraw/zinc/62/35/68/788623568.db2.gz ZKDHHUGFSKKFCK-INIZCTEOSA-N 1 2 328.334 2.111 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(F)c(F)c2F)C1 ZINC001108168335 788623574 /nfs/dbraw/zinc/62/35/74/788623574.db2.gz ZKDHHUGFSKKFCK-INIZCTEOSA-N 1 2 328.334 2.111 20 30 EEEDLO C[C@]1(CNC(=O)/C=C\C2CC2)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107839936 788674899 /nfs/dbraw/zinc/67/48/99/788674899.db2.gz YTVPQWVAKBDEOH-AQWUKCDYSA-N 1 2 339.439 2.232 20 30 EEEDLO C[C@]1(CNC(=O)/C=C\C2CC2)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107839936 788674906 /nfs/dbraw/zinc/67/49/06/788674906.db2.gz YTVPQWVAKBDEOH-AQWUKCDYSA-N 1 2 339.439 2.232 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001143643705 788707571 /nfs/dbraw/zinc/70/75/71/788707571.db2.gz JOXPVLPWGCEZDS-CQSZACIVSA-N 1 2 328.334 2.069 20 30 EEEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001143731370 788803431 /nfs/dbraw/zinc/80/34/31/788803431.db2.gz VMUIBRIQHGLFGI-UHFFFAOYSA-N 1 2 331.803 2.230 20 30 EEEDLO C#CC[NH+]1CCN(Cc2cc(OC(F)(F)F)ccc2OC)CC1 ZINC001144005638 789130867 /nfs/dbraw/zinc/13/08/67/789130867.db2.gz YIIZRAWHCLMPMC-UHFFFAOYSA-N 1 2 328.334 2.345 20 30 EEEDLO C#CCN1CC[NH+](Cc2cc(OC(F)(F)F)ccc2OC)CC1 ZINC001144005638 789130873 /nfs/dbraw/zinc/13/08/73/789130873.db2.gz YIIZRAWHCLMPMC-UHFFFAOYSA-N 1 2 328.334 2.345 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cncc(C#N)c2)CC12CC2 ZINC001144074104 789200851 /nfs/dbraw/zinc/20/08/51/789200851.db2.gz VTZNAJCZEMEYGF-OAHLLOKOSA-N 1 2 328.416 2.442 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)CC12CC2 ZINC001144074104 789200856 /nfs/dbraw/zinc/20/08/56/789200856.db2.gz VTZNAJCZEMEYGF-OAHLLOKOSA-N 1 2 328.416 2.442 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2sc(C3CC3)nc2C)C1 ZINC001107941603 789554434 /nfs/dbraw/zinc/55/44/34/789554434.db2.gz JNECTZYLTURSHW-QGZVFWFLSA-N 1 2 335.473 2.336 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2sc(C3CC3)nc2C)C1 ZINC001107941603 789554445 /nfs/dbraw/zinc/55/44/45/789554445.db2.gz JNECTZYLTURSHW-QGZVFWFLSA-N 1 2 335.473 2.336 20 30 EEEDLO C=CCCOCCCCC(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001127129442 789584997 /nfs/dbraw/zinc/58/49/97/789584997.db2.gz 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ZINC001084524770 798255806 /nfs/dbraw/zinc/25/58/06/798255806.db2.gz LKBAMKFCCSKQOL-VXGBXAGGSA-N 1 2 342.365 2.459 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cncc(OC)n3)C[C@H]21 ZINC001084574227 798281266 /nfs/dbraw/zinc/28/12/66/798281266.db2.gz WAARYERRZMQKBP-GDBMZVCRSA-N 1 2 344.459 2.120 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3cncc(OC)n3)C[C@H]21 ZINC001084574227 798281268 /nfs/dbraw/zinc/28/12/68/798281268.db2.gz WAARYERRZMQKBP-GDBMZVCRSA-N 1 2 344.459 2.120 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H]2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001061107886 798297907 /nfs/dbraw/zinc/29/79/07/798297907.db2.gz QSVYJZCMJHTNRW-HUUCEWRRSA-N 1 2 338.415 2.067 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)CCCOC)C1 ZINC001150555185 798382798 /nfs/dbraw/zinc/38/27/98/798382798.db2.gz YTNUADKRKVNDEO-ZFWWWQNUSA-N 1 2 332.872 2.009 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)CCCOC)C1 ZINC001150555185 798382803 /nfs/dbraw/zinc/38/28/03/798382803.db2.gz YTNUADKRKVNDEO-ZFWWWQNUSA-N 1 2 332.872 2.009 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)COc3ccsc3)[C@@H]2C1 ZINC001084776218 798446637 /nfs/dbraw/zinc/44/66/37/798446637.db2.gz OWIWOZJSOMRWOC-TZMCWYRMSA-N 1 2 326.849 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccsc3)[C@@H]2C1 ZINC001084776218 798446638 /nfs/dbraw/zinc/44/66/38/798446638.db2.gz OWIWOZJSOMRWOC-TZMCWYRMSA-N 1 2 326.849 2.412 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C4CC4)o3)[C@H]2C1 ZINC001084906603 798545063 /nfs/dbraw/zinc/54/50/63/798545063.db2.gz ZLMAMGAFTXZRJU-GUTXKFCHSA-N 1 2 328.416 2.134 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@H]2C1 ZINC001084906603 798545066 /nfs/dbraw/zinc/54/50/66/798545066.db2.gz ZLMAMGAFTXZRJU-GUTXKFCHSA-N 1 2 328.416 2.134 20 30 EEEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)COCC=C)c2C1 ZINC001128259907 798576211 /nfs/dbraw/zinc/57/62/11/798576211.db2.gz YPGHWDQACLVXRD-UHFFFAOYSA-N 1 2 346.475 2.264 20 30 EEEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)COCC=C)c2C1 ZINC001128259907 798576212 /nfs/dbraw/zinc/57/62/12/798576212.db2.gz YPGHWDQACLVXRD-UHFFFAOYSA-N 1 2 346.475 2.264 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001061145881 798608526 /nfs/dbraw/zinc/60/85/26/798608526.db2.gz XHIMFNCNVJWEKZ-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO C=CCCCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccn[nH]3)C[C@@H]21 ZINC001176917352 798650164 /nfs/dbraw/zinc/65/01/64/798650164.db2.gz HNTAAWLLBWAYCQ-DLBZAZTESA-N 1 2 332.448 2.071 20 30 EEEDLO C=CCCCCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccn[nH]3)C[C@@H]21 ZINC001176917352 798650166 /nfs/dbraw/zinc/65/01/66/798650166.db2.gz HNTAAWLLBWAYCQ-DLBZAZTESA-N 1 2 332.448 2.071 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3oc(C)cc3C)C[C@H]21 ZINC001176969677 798664207 /nfs/dbraw/zinc/66/42/07/798664207.db2.gz NKGYRPURVCRONG-IAGOWNOFSA-N 1 2 348.443 2.014 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3oc(C)cc3C)C[C@H]21 ZINC001176969677 798664208 /nfs/dbraw/zinc/66/42/08/798664208.db2.gz NKGYRPURVCRONG-IAGOWNOFSA-N 1 2 348.443 2.014 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)COCCCCCC)C[C@@H]21 ZINC001177143928 798769633 /nfs/dbraw/zinc/76/96/33/798769633.db2.gz IQFKPRNHNNPPHR-ZWKOTPCHSA-N 1 2 338.492 2.461 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)COCCCCCC)C[C@@H]21 ZINC001177143928 798769634 /nfs/dbraw/zinc/76/96/34/798769634.db2.gz IQFKPRNHNNPPHR-ZWKOTPCHSA-N 1 2 338.492 2.461 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@@H+](CCOC)[C@@H]3C2)CCCC1 ZINC001177163936 798784171 /nfs/dbraw/zinc/78/41/71/798784171.db2.gz ZSEGSJUXGVQSRN-IAGOWNOFSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H]3OCC[N@H+](CCOC)[C@@H]3C2)CCCC1 ZINC001177163936 798784174 /nfs/dbraw/zinc/78/41/74/798784174.db2.gz ZSEGSJUXGVQSRN-IAGOWNOFSA-N 1 2 336.476 2.071 20 30 EEEDLO Cc1nc(NC[C@]2(C)CCN(C(=O)[C@@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001065398573 798989884 /nfs/dbraw/zinc/98/98/84/798989884.db2.gz SLQYIKGLMOZDCR-DJJJIMSYSA-N 1 2 341.459 2.474 20 30 EEEDLO C[C@]1(CNc2cccc(F)c2C#N)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001065436921 799044811 /nfs/dbraw/zinc/04/48/11/799044811.db2.gz RECMMLGXVLYATH-GOSISDBHSA-N 1 2 341.390 2.245 20 30 EEEDLO C=CCC(CC=C)C(=O)NCc1cnn2c1C[N@H+](CCCF)CC2 ZINC001128367408 799092050 /nfs/dbraw/zinc/09/20/50/799092050.db2.gz YLECCQYGYCFLAR-UHFFFAOYSA-N 1 2 334.439 2.443 20 30 EEEDLO C=CCC(CC=C)C(=O)NCc1cnn2c1C[N@@H+](CCCF)CC2 ZINC001128367408 799092058 /nfs/dbraw/zinc/09/20/58/799092058.db2.gz YLECCQYGYCFLAR-UHFFFAOYSA-N 1 2 334.439 2.443 20 30 EEEDLO C#CCCCCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCC)C2)CC1 ZINC001065682286 799338611 /nfs/dbraw/zinc/33/86/11/799338611.db2.gz DEGDSVFFGACDBM-SFHVURJKSA-N 1 2 347.503 2.115 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CCC)C2)CC1 ZINC001065683342 799340956 /nfs/dbraw/zinc/34/09/56/799340956.db2.gz YFQIPHVRKXRGDD-IAGOWNOFSA-N 1 2 335.492 2.134 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC(C)C)CC2)C1 ZINC001065703473 799348164 /nfs/dbraw/zinc/34/81/64/799348164.db2.gz CXBHDWCWVBVKTL-QGZVFWFLSA-N 1 2 335.492 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C=C(\C)C3CC3)C2)CC1 ZINC001065691970 799367975 /nfs/dbraw/zinc/36/79/75/799367975.db2.gz NNHMEVKJPHKINY-QRURKXGXSA-N 1 2 345.487 2.054 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)/C=C(\C)C3CC3)CC2)C1 ZINC001065693144 799369886 /nfs/dbraw/zinc/36/98/86/799369886.db2.gz YBBGEAHNYSJYDP-ZWFBASDOSA-N 1 2 345.487 2.054 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C=C(/C)CC)C2)CC1 ZINC001065699493 799385998 /nfs/dbraw/zinc/38/59/98/799385998.db2.gz KOUVLDVSEJVJPP-YHKKIHSWSA-N 1 2 333.476 2.054 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC3CCC3)C2)CC1 ZINC001065701287 799391151 /nfs/dbraw/zinc/39/11/51/799391151.db2.gz YNWQRSOLEUCSGP-SFHVURJKSA-N 1 2 347.503 2.278 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC3CC3)CC2)C1 ZINC001065711539 799408523 /nfs/dbraw/zinc/40/85/23/799408523.db2.gz NUGPMSYNVANHGZ-AEFFLSMTSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH2+]Cc2nc([C@@H](C)OCC)no2)[C@@H]1C ZINC001178311571 799412967 /nfs/dbraw/zinc/41/29/67/799412967.db2.gz FJNYDRIXTGJKMO-MJBXVCDLSA-N 1 2 336.436 2.212 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCc1cnn2c1C[N@H+](C[C@@H](CC)OC)CC2 ZINC001128454115 799587910 /nfs/dbraw/zinc/58/79/10/799587910.db2.gz OWZWIPHUJVVLQR-DOTOQJQBSA-N 1 2 348.491 2.342 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCc1cnn2c1C[N@@H+](C[C@@H](CC)OC)CC2 ZINC001128454115 799587914 /nfs/dbraw/zinc/58/79/14/799587914.db2.gz OWZWIPHUJVVLQR-DOTOQJQBSA-N 1 2 348.491 2.342 20 30 EEEDLO C#Cc1ccc(C(=O)NC2CC[NH+](Cc3nccc(C)n3)CC2)cc1 ZINC001003411296 799632607 /nfs/dbraw/zinc/63/26/07/799632607.db2.gz NNWCHLIXQQZQIZ-UHFFFAOYSA-N 1 2 334.423 2.161 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001065969055 799815619 /nfs/dbraw/zinc/81/56/19/799815619.db2.gz NONLIYPAZNLUPF-AWEZNQCLSA-N 1 2 332.448 2.151 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@]2(C)C[N@H+](Cc3cccnc3C)CCO2)C1 ZINC001108201774 799935304 /nfs/dbraw/zinc/93/53/04/799935304.db2.gz RQULEOOWQRBDNA-HXUWFJFHSA-N 1 2 343.471 2.453 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@]2(C)C[N@@H+](Cc3cccnc3C)CCO2)C1 ZINC001108201774 799935309 /nfs/dbraw/zinc/93/53/09/799935309.db2.gz RQULEOOWQRBDNA-HXUWFJFHSA-N 1 2 343.471 2.453 20 30 EEEDLO C=C(Br)C[NH2+]CCCCCCNC(=O)c1[nH]ncc1F ZINC001179510338 799971791 /nfs/dbraw/zinc/97/17/91/799971791.db2.gz JRQSEJJKEOLJOJ-UHFFFAOYSA-N 1 2 347.232 2.337 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)C1=COCCC1 ZINC001085510598 800666137 /nfs/dbraw/zinc/66/61/37/800666137.db2.gz YQENSWSYHHAURJ-GOSISDBHSA-N 1 2 325.412 2.285 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)C1=COCCC1 ZINC001085510598 800666140 /nfs/dbraw/zinc/66/61/40/800666140.db2.gz YQENSWSYHHAURJ-GOSISDBHSA-N 1 2 325.412 2.285 20 30 EEEDLO Cc1nc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)c(F)c2)c[nH]1 ZINC001085520500 800692688 /nfs/dbraw/zinc/69/26/88/800692688.db2.gz PBZJMVXIWULYFO-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1nc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)c(F)c2)c[nH]1 ZINC001085520500 800692692 /nfs/dbraw/zinc/69/26/92/800692692.db2.gz PBZJMVXIWULYFO-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1[nH]nc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)c1C ZINC001085522247 800696365 /nfs/dbraw/zinc/69/63/65/800696365.db2.gz IJUQUCIBGVOJPO-SFHVURJKSA-N 1 2 336.439 2.225 20 30 EEEDLO Cc1[nH]nc(C(=O)N(C)C[C@@H]2CC[N@H+]2CC#Cc2ccccc2)c1C ZINC001085522247 800696369 /nfs/dbraw/zinc/69/63/69/800696369.db2.gz IJUQUCIBGVOJPO-SFHVURJKSA-N 1 2 336.439 2.225 20 30 EEEDLO C#Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3ncc(C)o3)CC2)nc1 ZINC001004003247 800762456 /nfs/dbraw/zinc/76/24/56/800762456.db2.gz ICYLDQVAFDWNSE-AWEZNQCLSA-N 1 2 338.411 2.315 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001066279394 800794563 /nfs/dbraw/zinc/79/45/63/800794563.db2.gz USFHXOANYNMHEF-INIZCTEOSA-N 1 2 345.443 2.096 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1 ZINC001085612083 800887151 /nfs/dbraw/zinc/88/71/51/800887151.db2.gz KAWXPPKNUDUGDE-QGZVFWFLSA-N 1 2 338.411 2.241 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1 ZINC001085612083 800887158 /nfs/dbraw/zinc/88/71/58/800887158.db2.gz KAWXPPKNUDUGDE-QGZVFWFLSA-N 1 2 338.411 2.241 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)c1cnccn1 ZINC001085641155 800954527 /nfs/dbraw/zinc/95/45/27/800954527.db2.gz FKVRWAWOJHMPBI-CVEARBPZSA-N 1 2 339.443 2.372 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)c1cnccn1 ZINC001085641155 800954535 /nfs/dbraw/zinc/95/45/35/800954535.db2.gz FKVRWAWOJHMPBI-CVEARBPZSA-N 1 2 339.443 2.372 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(CC(C)C)no2)C1 ZINC001182109062 801026300 /nfs/dbraw/zinc/02/63/00/801026300.db2.gz ZFQQFRZGCHPSOJ-OAHLLOKOSA-N 1 2 332.448 2.152 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccoc2)C1 ZINC001033039622 801043410 /nfs/dbraw/zinc/04/34/10/801043410.db2.gz RLLFSPOSKZCXMI-CYBMUJFWSA-N 1 2 327.222 2.263 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccoc2)C1 ZINC001033039622 801043416 /nfs/dbraw/zinc/04/34/16/801043416.db2.gz RLLFSPOSKZCXMI-CYBMUJFWSA-N 1 2 327.222 2.263 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCOc3c(F)cccc32)C1 ZINC001108064649 801056740 /nfs/dbraw/zinc/05/67/40/801056740.db2.gz LANPZRWOWVQLJR-DNVCBOLYSA-N 1 2 348.418 2.085 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCOc3c(F)cccc32)C1 ZINC001108064649 801056741 /nfs/dbraw/zinc/05/67/41/801056741.db2.gz LANPZRWOWVQLJR-DNVCBOLYSA-N 1 2 348.418 2.085 20 30 EEEDLO CC[NH+](CC)[C@H](C(=O)N1CCO[C@@H](C#N)C1)c1ccccc1Cl ZINC001182220685 801075172 /nfs/dbraw/zinc/07/51/72/801075172.db2.gz MSCANKUKWJPAIU-BBRMVZONSA-N 1 2 335.835 2.474 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2nccnc2C)cc1 ZINC001085757280 801197788 /nfs/dbraw/zinc/19/77/88/801197788.db2.gz DHHJFJLWKKBFLT-GOSISDBHSA-N 1 2 334.423 2.113 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2nccnc2C)cc1 ZINC001085757280 801197792 /nfs/dbraw/zinc/19/77/92/801197792.db2.gz DHHJFJLWKKBFLT-GOSISDBHSA-N 1 2 334.423 2.113 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2coc3ccc(OC)cc32)C1 ZINC001108066870 801335403 /nfs/dbraw/zinc/33/54/03/801335403.db2.gz PLIIHMKJJVNZSQ-LJQANCHMSA-N 1 2 344.411 2.448 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2coc3ccc(OC)cc32)C1 ZINC001108066870 801335411 /nfs/dbraw/zinc/33/54/11/801335411.db2.gz PLIIHMKJJVNZSQ-LJQANCHMSA-N 1 2 344.411 2.448 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001085830654 801388090 /nfs/dbraw/zinc/38/80/90/801388090.db2.gz DVLYXWXEIPOYLH-IXKJSCDLSA-N 1 2 345.468 2.220 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001085830654 801388097 /nfs/dbraw/zinc/38/80/97/801388097.db2.gz DVLYXWXEIPOYLH-IXKJSCDLSA-N 1 2 345.468 2.220 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCOC1 ZINC001183839198 801767201 /nfs/dbraw/zinc/76/72/01/801767201.db2.gz SOMQMJVWUMGLEO-QAPCUYQASA-N 1 2 327.428 2.065 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCOC1 ZINC001183839198 801767206 /nfs/dbraw/zinc/76/72/06/801767206.db2.gz SOMQMJVWUMGLEO-QAPCUYQASA-N 1 2 327.428 2.065 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001108236242 801995527 /nfs/dbraw/zinc/99/55/27/801995527.db2.gz GBTSSBQPIMUMGG-INIZCTEOSA-N 1 2 328.334 2.111 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001108236242 801995531 /nfs/dbraw/zinc/99/55/31/801995531.db2.gz GBTSSBQPIMUMGG-INIZCTEOSA-N 1 2 328.334 2.111 20 30 EEEDLO N#Cc1cccc(N2C[C@@H](C(=O)Nc3cccc4[nH+]ccn43)OC2=O)c1 ZINC001184367964 802014212 /nfs/dbraw/zinc/01/42/12/802014212.db2.gz KPNOEFCXYVVDDW-AWEZNQCLSA-N 1 2 347.334 2.170 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)CC1 ZINC001004450548 802071661 /nfs/dbraw/zinc/07/16/61/802071661.db2.gz MXWQCHMLJCFVKX-IPMKNSEASA-N 1 2 338.455 2.412 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)CC1 ZINC001004450548 802071667 /nfs/dbraw/zinc/07/16/67/802071667.db2.gz MXWQCHMLJCFVKX-IPMKNSEASA-N 1 2 338.455 2.412 20 30 EEEDLO CCCc1c(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)cnn1C ZINC001004474341 802166338 /nfs/dbraw/zinc/16/63/38/802166338.db2.gz CPYQKLXDOKBJQI-QGZVFWFLSA-N 1 2 343.475 2.213 20 30 EEEDLO CCCc1c(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)cnn1C ZINC001004474341 802166349 /nfs/dbraw/zinc/16/63/49/802166349.db2.gz CPYQKLXDOKBJQI-QGZVFWFLSA-N 1 2 343.475 2.213 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnc3cnccc3c2)CC1 ZINC001004487683 802192969 /nfs/dbraw/zinc/19/29/69/802192969.db2.gz DBZGJXJHCALGLD-LJQANCHMSA-N 1 2 349.438 2.470 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnc3cnccc3c2)CC1 ZINC001004487683 802192975 /nfs/dbraw/zinc/19/29/75/802192975.db2.gz DBZGJXJHCALGLD-LJQANCHMSA-N 1 2 349.438 2.470 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(C)nn1 ZINC001033124566 802204788 /nfs/dbraw/zinc/20/47/88/802204788.db2.gz YQZALLYPNKRCCN-GOSISDBHSA-N 1 2 349.438 2.312 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(C)nn1 ZINC001033124566 802204796 /nfs/dbraw/zinc/20/47/96/802204796.db2.gz YQZALLYPNKRCCN-GOSISDBHSA-N 1 2 349.438 2.312 20 30 EEEDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1CNCC#N ZINC001184883235 802225117 /nfs/dbraw/zinc/22/51/17/802225117.db2.gz SINJUWVPYKCUKI-RDJZCZTQSA-N 1 2 337.427 2.084 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc3ccccc3nn2)CC1 ZINC001004497752 802228662 /nfs/dbraw/zinc/22/86/62/802228662.db2.gz DMZRUXUUWCKFCR-LJQANCHMSA-N 1 2 349.438 2.470 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc3ccccc3nn2)CC1 ZINC001004497752 802228666 /nfs/dbraw/zinc/22/86/66/802228666.db2.gz DMZRUXUUWCKFCR-LJQANCHMSA-N 1 2 349.438 2.470 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)C1 ZINC001086152128 802314426 /nfs/dbraw/zinc/31/44/26/802314426.db2.gz VILCQPXDVVBFGI-KBNOKHGBSA-N 1 2 336.867 2.313 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2nccc3[nH]ccc32)CC1 ZINC001004551786 802373874 /nfs/dbraw/zinc/37/38/74/802373874.db2.gz LFTRBHZOEBCTBZ-KRWDZBQOSA-N 1 2 337.427 2.403 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2nccc3[nH]ccc32)CC1 ZINC001004551786 802373884 /nfs/dbraw/zinc/37/38/84/802373884.db2.gz LFTRBHZOEBCTBZ-KRWDZBQOSA-N 1 2 337.427 2.403 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001066431905 802401923 /nfs/dbraw/zinc/40/19/23/802401923.db2.gz NMTRVAXDYNDYPY-DLBZAZTESA-N 1 2 346.475 2.373 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cncs2)C1 ZINC001033168558 802728765 /nfs/dbraw/zinc/72/87/65/802728765.db2.gz VSQQEJSLFRZXFW-NSHDSACASA-N 1 2 344.278 2.127 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cncs2)C1 ZINC001033168558 802728771 /nfs/dbraw/zinc/72/87/71/802728771.db2.gz VSQQEJSLFRZXFW-NSHDSACASA-N 1 2 344.278 2.127 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C[C@@H](C)n3cccc3)c2C1 ZINC001128555392 803010003 /nfs/dbraw/zinc/01/00/03/803010003.db2.gz XACUKJCDAZINFU-MRXNPFEDSA-N 1 2 341.459 2.344 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C[C@@H](C)n3cccc3)c2C1 ZINC001128555392 803010009 /nfs/dbraw/zinc/01/00/09/803010009.db2.gz XACUKJCDAZINFU-MRXNPFEDSA-N 1 2 341.459 2.344 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2csc(-c3ccoc3)n2)C1 ZINC001108283414 803157107 /nfs/dbraw/zinc/15/71/07/803157107.db2.gz BTSXKYIMCFKTJL-QGZVFWFLSA-N 1 2 347.440 2.410 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2csc(-c3ccoc3)n2)C1 ZINC001108283414 803157111 /nfs/dbraw/zinc/15/71/11/803157111.db2.gz BTSXKYIMCFKTJL-QGZVFWFLSA-N 1 2 347.440 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2ccccc2F)[C@H](O)C1 ZINC001100108164 803184995 /nfs/dbraw/zinc/18/49/95/803184995.db2.gz RLKSXWDXFUVBCT-JKSUJKDBSA-N 1 2 340.826 2.062 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2ccccc2F)[C@H](O)C1 ZINC001100108164 803185003 /nfs/dbraw/zinc/18/50/03/803185003.db2.gz RLKSXWDXFUVBCT-JKSUJKDBSA-N 1 2 340.826 2.062 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc3cnccc3c2)C1 ZINC001108325137 803291883 /nfs/dbraw/zinc/29/18/83/803291883.db2.gz LKDQIRHNKNQJEU-LJQANCHMSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc3cnccc3c2)C1 ZINC001108325137 803291888 /nfs/dbraw/zinc/29/18/88/803291888.db2.gz LKDQIRHNKNQJEU-LJQANCHMSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnn(CCCC)c2CC)C1 ZINC001108331641 803303349 /nfs/dbraw/zinc/30/33/49/803303349.db2.gz SIUZYMGLSWNSGP-LJQANCHMSA-N 1 2 348.491 2.252 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnn(CCCC)c2CC)C1 ZINC001108331641 803303357 /nfs/dbraw/zinc/30/33/57/803303357.db2.gz SIUZYMGLSWNSGP-LJQANCHMSA-N 1 2 348.491 2.252 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCc3sc(C)nc32)C1 ZINC001108338768 803322487 /nfs/dbraw/zinc/32/24/87/803322487.db2.gz MQAKPLPFRAMBAZ-RDTXWAMCSA-N 1 2 349.500 2.265 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCc3sc(C)nc32)C1 ZINC001108338768 803322494 /nfs/dbraw/zinc/32/24/94/803322494.db2.gz MQAKPLPFRAMBAZ-RDTXWAMCSA-N 1 2 349.500 2.265 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC001108362181 803347820 /nfs/dbraw/zinc/34/78/20/803347820.db2.gz LGMJPKXCCGACJB-UQTNFYOXSA-N 1 2 344.499 2.433 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC001108362181 803347827 /nfs/dbraw/zinc/34/78/27/803347827.db2.gz LGMJPKXCCGACJB-UQTNFYOXSA-N 1 2 344.499 2.433 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(F)cc2Cl)C1 ZINC001108376282 803396582 /nfs/dbraw/zinc/39/65/82/803396582.db2.gz HSICUPQRYFOTGO-KRWDZBQOSA-N 1 2 338.810 2.323 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(F)cc2Cl)C1 ZINC001108376282 803396586 /nfs/dbraw/zinc/39/65/86/803396586.db2.gz HSICUPQRYFOTGO-KRWDZBQOSA-N 1 2 338.810 2.323 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)COc2ccccc2CC)C1 ZINC001108378149 803402049 /nfs/dbraw/zinc/40/20/49/803402049.db2.gz BOXNGTIDUDECBV-IBGZPJMESA-N 1 2 332.444 2.021 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)COc2ccccc2CC)C1 ZINC001108378149 803402054 /nfs/dbraw/zinc/40/20/54/803402054.db2.gz BOXNGTIDUDECBV-IBGZPJMESA-N 1 2 332.444 2.021 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001033228828 803408276 /nfs/dbraw/zinc/40/82/76/803408276.db2.gz NSDPDOWRZZPTFQ-AWEZNQCLSA-N 1 2 345.834 2.371 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC001033228828 803408281 /nfs/dbraw/zinc/40/82/81/803408281.db2.gz NSDPDOWRZZPTFQ-AWEZNQCLSA-N 1 2 345.834 2.371 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001108422652 803537410 /nfs/dbraw/zinc/53/74/10/803537410.db2.gz YXYYKPROUILCCV-DNVCBOLYSA-N 1 2 332.444 2.192 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001108422652 803537415 /nfs/dbraw/zinc/53/74/15/803537415.db2.gz YXYYKPROUILCCV-DNVCBOLYSA-N 1 2 332.444 2.192 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CNc3ccc(C#N)nc3)ccn12 ZINC001108536911 804005105 /nfs/dbraw/zinc/00/51/05/804005105.db2.gz PSXKWXJVOHLAEQ-LBPRGKRZSA-N 1 2 334.383 2.140 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@H](C)CC3CCCC3)CC2=O)C1 ZINC001108576593 804157322 /nfs/dbraw/zinc/15/73/22/804157322.db2.gz WQNOPIYGSANOPA-WBVHZDCISA-N 1 2 347.503 2.180 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H](C)CC3CCCCC3)CC2=O)C1 ZINC001108580642 804189263 /nfs/dbraw/zinc/18/92/63/804189263.db2.gz QDYHYZPCTGUBKW-DOTOQJQBSA-N 1 2 347.503 2.180 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H](C)CCC(C)(C)C)CC2=O)C1 ZINC001108584305 804210648 /nfs/dbraw/zinc/21/06/48/804210648.db2.gz DTQCAQGHKMNJAR-HUUCEWRRSA-N 1 2 335.492 2.036 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)C[C@@H](C)CC(C)C)CC2=O)C1 ZINC001108585371 804223713 /nfs/dbraw/zinc/22/37/13/804223713.db2.gz RPYKINCBMZMZEK-HOTGVXAUSA-N 1 2 335.492 2.036 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C[C@H](C)C(C)(C)C)CC2=O)C1 ZINC001108588626 804245951 /nfs/dbraw/zinc/24/59/51/804245951.db2.gz HUNIEZRIXUDZRL-LSDHHAIUSA-N 1 2 335.492 2.036 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CCCC3CCCCC3)CC2=O)C1 ZINC001108589375 804247350 /nfs/dbraw/zinc/24/73/50/804247350.db2.gz POVHMWYHHKHPPR-KRWDZBQOSA-N 1 2 347.503 2.324 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001108922943 804678962 /nfs/dbraw/zinc/67/89/62/804678962.db2.gz FOXZUXLCQWJLLC-KSSFIOAISA-N 1 2 334.464 2.176 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2N(C)C)CC1 ZINC001112676792 806984826 /nfs/dbraw/zinc/98/48/26/806984826.db2.gz YHYPPFFINVAKMC-KRWDZBQOSA-N 1 2 345.487 2.378 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](CCOCc2ccccc2)CC1 ZINC001112671628 806993970 /nfs/dbraw/zinc/99/39/70/806993970.db2.gz NOWWGUMMXLPZKQ-SFHVURJKSA-N 1 2 346.471 2.329 20 30 EEEDLO Cc1nn(C)c(N2CC[NH+](Cc3cccc(Cl)c3O)CC2)c1C#N ZINC000788270964 807467659 /nfs/dbraw/zinc/46/76/59/807467659.db2.gz XSEMHSWXOHHERK-UHFFFAOYSA-N 1 2 345.834 2.281 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC001112885196 807538235 /nfs/dbraw/zinc/53/82/35/807538235.db2.gz KVASJXXPQRQUPO-HNNXBMFYSA-N 1 2 344.883 2.105 20 30 EEEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]NCCc1ccccn1 ZINC000789113800 807849655 /nfs/dbraw/zinc/84/96/55/807849655.db2.gz XGGMERBUMLYUKA-UHFFFAOYSA-N 1 2 346.394 2.045 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1 ZINC001113060193 808000399 /nfs/dbraw/zinc/00/03/99/808000399.db2.gz WQYBZWOODVZHDU-UHFFFAOYSA-N 1 2 341.411 2.302 20 30 EEEDLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@@H](C)Nc1ncc(C#N)cc1F ZINC001113077629 808059393 /nfs/dbraw/zinc/05/93/93/808059393.db2.gz QIHJAWHVAYKXGK-CHWSQXEVSA-N 1 2 344.394 2.074 20 30 EEEDLO C#CCOCCC(=O)N[C@H](C)[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001113164993 808320930 /nfs/dbraw/zinc/32/09/30/808320930.db2.gz CTCBEDZSQLSNOY-KGLIPLIRSA-N 1 2 344.459 2.009 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H](C)[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001113174235 808332878 /nfs/dbraw/zinc/33/28/78/808332878.db2.gz ZSHPRTTZFOYQSJ-STQMWFEESA-N 1 2 346.479 2.320 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2nccc3ccccc32)CC1 ZINC001113265155 808600302 /nfs/dbraw/zinc/60/03/02/808600302.db2.gz FBEJVJWLDROFIA-UHFFFAOYSA-N 1 2 325.412 2.195 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113583119 809296568 /nfs/dbraw/zinc/29/65/68/809296568.db2.gz XJMHIARTLSXKMZ-RDTXWAMCSA-N 1 2 334.464 2.176 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001113639836 809423577 /nfs/dbraw/zinc/42/35/77/809423577.db2.gz LNUYUHYPGYMERJ-UONOGXRCSA-N 1 2 346.475 2.196 20 30 EEEDLO Cc1nc(N(C)[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)ccc1C#N ZINC001113902917 810040225 /nfs/dbraw/zinc/04/02/25/810040225.db2.gz QPJSBEDJXKSGFD-UONOGXRCSA-N 1 2 340.431 2.050 20 30 EEEDLO Cc1cc(C(=O)OCCc2c[nH+]cn2C)nn1-c1cccc(C#N)c1 ZINC000793255342 810218954 /nfs/dbraw/zinc/21/89/54/810218954.db2.gz JFNGBTIHVDAIIU-UHFFFAOYSA-N 1 2 335.367 2.185 20 30 EEEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000805473514 811305548 /nfs/dbraw/zinc/30/55/48/811305548.db2.gz WIZICFXMQLLPKP-OAHLLOKOSA-N 1 2 341.329 2.321 20 30 EEEDLO CC[N@H+]1CCO[C@@H](C(=O)OCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000805473514 811305549 /nfs/dbraw/zinc/30/55/49/811305549.db2.gz WIZICFXMQLLPKP-OAHLLOKOSA-N 1 2 341.329 2.321 20 30 EEEDLO C=CCOc1ccccc1C(=O)NCC[NH2+]Cc1nc(CCC)no1 ZINC001130374380 811526117 /nfs/dbraw/zinc/52/61/17/811526117.db2.gz PEZAITOZJLHAJM-UHFFFAOYSA-N 1 2 344.415 2.107 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@]2(CC[N@H+](Cc3nc(C)c(C)o3)C2)C1 ZINC001131645006 813068752 /nfs/dbraw/zinc/06/87/52/813068752.db2.gz BEFWMXWUEQXSIF-KUHUBIRLSA-N 1 2 347.459 2.449 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@]2(CC[N@@H+](Cc3nc(C)c(C)o3)C2)C1 ZINC001131645006 813068761 /nfs/dbraw/zinc/06/87/61/813068761.db2.gz BEFWMXWUEQXSIF-KUHUBIRLSA-N 1 2 347.459 2.449 20 30 EEEDLO Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001436414973 1087770685 /nfs/dbraw/zinc/77/06/85/1087770685.db2.gz QRRPEXNHBAKWHX-GFCCVEGCSA-N 1 2 335.371 2.234 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1c(C)[nH]cc1NC(C)=O ZINC001437612395 1090118946 /nfs/dbraw/zinc/11/89/46/1090118946.db2.gz VZNLWHGIJKWSFE-UHFFFAOYSA-N 1 2 326.828 2.086 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1c(C)[nH]cc1NC(C)=O ZINC001437612395 1090118949 /nfs/dbraw/zinc/11/89/49/1090118949.db2.gz VZNLWHGIJKWSFE-UHFFFAOYSA-N 1 2 326.828 2.086 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@@]1(C)CCCOC1 ZINC001438929085 1091606333 /nfs/dbraw/zinc/60/63/33/1091606333.db2.gz DJJLTGKOVVBBPJ-IBGZPJMESA-N 1 2 329.444 2.265 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@@]1(C)CCCOC1 ZINC001438929085 1091606339 /nfs/dbraw/zinc/60/63/39/1091606339.db2.gz DJJLTGKOVVBBPJ-IBGZPJMESA-N 1 2 329.444 2.265 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2[nH]nc3c2CCCC3)C1 ZINC001441169952 1094523665 /nfs/dbraw/zinc/52/36/65/1094523665.db2.gz NMPRBCWSNMBMIW-GFCCVEGCSA-N 1 2 336.867 2.020 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc3ncccn3n2)C1 ZINC001443194902 1097643369 /nfs/dbraw/zinc/64/33/69/1097643369.db2.gz FFHPQUUGJWJZDS-CQSZACIVSA-N 1 2 347.850 2.408 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc3ncccn3n2)C1 ZINC001443194902 1097643372 /nfs/dbraw/zinc/64/33/72/1097643372.db2.gz FFHPQUUGJWJZDS-CQSZACIVSA-N 1 2 347.850 2.408 20 30 EEEDLO CCc1nc(C(=O)N(C)CC[N@H+](C)Cc2ccc(C#N)cc2F)co1 ZINC001496689785 1101288412 /nfs/dbraw/zinc/28/84/12/1101288412.db2.gz WPLLPWNRZQOREX-UHFFFAOYSA-N 1 2 344.390 2.452 20 30 EEEDLO CCc1nc(C(=O)N(C)CC[N@@H+](C)Cc2ccc(C#N)cc2F)co1 ZINC001496689785 1101288414 /nfs/dbraw/zinc/28/84/14/1101288414.db2.gz WPLLPWNRZQOREX-UHFFFAOYSA-N 1 2 344.390 2.452 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)CCc2ccncn2)C1 ZINC001493954595 1103186723 /nfs/dbraw/zinc/18/67/23/1103186723.db2.gz CZWVNRDLQPUNDB-INIZCTEOSA-N 1 2 336.867 2.475 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)CCc2ccncn2)C1 ZINC001493954595 1103186727 /nfs/dbraw/zinc/18/67/27/1103186727.db2.gz CZWVNRDLQPUNDB-INIZCTEOSA-N 1 2 336.867 2.475 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001494301570 1103859248 /nfs/dbraw/zinc/85/92/48/1103859248.db2.gz PKGGDNIXHBEGFJ-OAHLLOKOSA-N 1 2 337.851 2.408 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001494301570 1103859260 /nfs/dbraw/zinc/85/92/60/1103859260.db2.gz PKGGDNIXHBEGFJ-OAHLLOKOSA-N 1 2 337.851 2.408 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)CC[C@@H]2CCCO2)C1 ZINC001494524401 1104115053 /nfs/dbraw/zinc/11/50/53/1104115053.db2.gz CFEHSZSBERHQMD-SFHVURJKSA-N 1 2 327.428 2.065 20 30 EEEDLO N#C[C@H](CCc1ccccc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001463571755 1110376659 /nfs/dbraw/zinc/37/66/59/1110376659.db2.gz YQJOXGZEZMLQER-OALUTQOASA-N 1 2 341.455 2.082 20 30 EEEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001521353246 1119243733 /nfs/dbraw/zinc/24/37/33/1119243733.db2.gz NWGZCOPIBHRORY-ZDUSSCGKSA-N 1 2 335.371 2.234 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CCOCC3CC3)C2)c(F)c1 ZINC001567890626 1124159672 /nfs/dbraw/zinc/15/96/72/1124159672.db2.gz DEPGUVUZBXOIHE-QGZVFWFLSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CCOCC3CC3)C2)c(F)c1 ZINC001567890626 1124159674 /nfs/dbraw/zinc/15/96/74/1124159674.db2.gz DEPGUVUZBXOIHE-QGZVFWFLSA-N 1 2 345.418 2.205 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000056316573 214369814 /nfs/dbraw/zinc/36/98/14/214369814.db2.gz LHVDTPKBYDHCQP-OAHLLOKOSA-N 1 2 339.480 2.400 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000056316573 214369818 /nfs/dbraw/zinc/36/98/18/214369818.db2.gz LHVDTPKBYDHCQP-OAHLLOKOSA-N 1 2 339.480 2.400 20 30 EEEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CCC(=O)N1C ZINC000329288362 539770303 /nfs/dbraw/zinc/77/03/03/539770303.db2.gz POICTDBHJWBXEZ-INIZCTEOSA-N 1 2 331.416 2.036 20 30 EEEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)cc1 ZINC000181169704 234103146 /nfs/dbraw/zinc/10/31/46/234103146.db2.gz JERCTNBTWAEFCG-UHFFFAOYSA-N 1 2 338.411 2.243 20 30 EEEDLO Cn1cccc1[C@H]1COCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000411552508 238390782 /nfs/dbraw/zinc/39/07/82/238390782.db2.gz NSQYYNQQWAKKHF-GOSISDBHSA-N 1 2 338.411 2.299 20 30 EEEDLO Cn1cccc1[C@H]1COCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000411552508 238390786 /nfs/dbraw/zinc/39/07/86/238390786.db2.gz NSQYYNQQWAKKHF-GOSISDBHSA-N 1 2 338.411 2.299 20 30 EEEDLO C[C@H](C(=O)NCC1(C#N)CCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000416346922 239194380 /nfs/dbraw/zinc/19/43/80/239194380.db2.gz NHTVXFXVPNKXET-OAHLLOKOSA-N 1 2 344.434 2.146 20 30 EEEDLO C=C(CC)CNC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000455528055 244021053 /nfs/dbraw/zinc/02/10/53/244021053.db2.gz FRNRWELHYHNBPR-KRWDZBQOSA-N 1 2 325.453 2.058 20 30 EEEDLO C=C(CC)CNC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000459075175 244982881 /nfs/dbraw/zinc/98/28/81/244982881.db2.gz KWUDUUSIAFNFFA-UHFFFAOYSA-N 1 2 347.459 2.367 20 30 EEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C(=O)OC)C1(OC)CCC1 ZINC000459455115 245128425 /nfs/dbraw/zinc/12/84/25/245128425.db2.gz CMCQGONCEXKSLE-MRXNPFEDSA-N 1 2 337.416 2.261 20 30 EEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C(=O)OC)C1(OC)CCC1 ZINC000459455115 245128430 /nfs/dbraw/zinc/12/84/30/245128430.db2.gz CMCQGONCEXKSLE-MRXNPFEDSA-N 1 2 337.416 2.261 20 30 EEEDLO COC(=O)c1cccc2c1CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)C2 ZINC000459552067 245164434 /nfs/dbraw/zinc/16/44/34/245164434.db2.gz YQBHFJGTZIBZME-UHFFFAOYSA-N 1 2 349.390 2.342 20 30 EEEDLO COC(=O)c1cccc2c1CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C2 ZINC000459552067 245164440 /nfs/dbraw/zinc/16/44/40/245164440.db2.gz YQBHFJGTZIBZME-UHFFFAOYSA-N 1 2 349.390 2.342 20 30 EEEDLO C[C@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc(C#N)cc1 ZINC000264089044 246054184 /nfs/dbraw/zinc/05/41/84/246054184.db2.gz ZPSFBGZIDSJSDR-AWEZNQCLSA-N 1 2 330.432 2.029 20 30 EEEDLO C[C@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc(C#N)cc1 ZINC000264089044 246054189 /nfs/dbraw/zinc/05/41/89/246054189.db2.gz ZPSFBGZIDSJSDR-AWEZNQCLSA-N 1 2 330.432 2.029 20 30 EEEDLO C#CC[NH+]1CCN(CN2C(=O)C3(CCCC3)[C@@H]2c2ccccc2)CC1 ZINC000491638610 246093071 /nfs/dbraw/zinc/09/30/71/246093071.db2.gz XUSUMIZIUGJFDX-IBGZPJMESA-N 1 2 337.467 2.339 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(CCOCC)[C@@H](CC)C1 ZINC000264278248 246280876 /nfs/dbraw/zinc/28/08/76/246280876.db2.gz FMZGDNLLGMHOHK-ROUUACIJSA-N 1 2 337.508 2.008 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(CCOCC)[C@@H](CC)C1 ZINC000264278248 246280880 /nfs/dbraw/zinc/28/08/80/246280880.db2.gz FMZGDNLLGMHOHK-ROUUACIJSA-N 1 2 337.508 2.008 20 30 EEEDLO C=CCOc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1OC ZINC000264295139 246310111 /nfs/dbraw/zinc/31/01/11/246310111.db2.gz QTWVEGAKJHPJAR-HUUCEWRRSA-N 1 2 348.443 2.099 20 30 EEEDLO C#CC[C@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000270529534 533213034 /nfs/dbraw/zinc/21/30/34/533213034.db2.gz VHZIDCSZOUWKBV-IBGZPJMESA-N 1 2 348.450 2.084 20 30 EEEDLO CCOC(=O)CC1CC[NH+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000267697709 256079796 /nfs/dbraw/zinc/07/97/96/256079796.db2.gz PMQMLUGQVFGOPC-GOSISDBHSA-N 1 2 344.411 2.438 20 30 EEEDLO C#C[C@@H](CCC)NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000491568245 533244086 /nfs/dbraw/zinc/24/40/86/533244086.db2.gz PQVQWKDVLHQREB-ROUUACIJSA-N 1 2 329.444 2.161 20 30 EEEDLO C#C[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000491698326 533259057 /nfs/dbraw/zinc/25/90/57/533259057.db2.gz ANEQVAVAHCJLJF-MSOLQXFVSA-N 1 2 330.403 2.260 20 30 EEEDLO C#C[C@@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000491698326 533259060 /nfs/dbraw/zinc/25/90/60/533259060.db2.gz ANEQVAVAHCJLJF-MSOLQXFVSA-N 1 2 330.403 2.260 20 30 EEEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120483643 142391081 /nfs/dbraw/zinc/39/10/81/142391081.db2.gz DCRVFOLSRHPVGO-KDOFPFPSSA-N 1 2 337.379 2.400 20 30 EEEDLO CCCCOc1ncccc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115598352 152032760 /nfs/dbraw/zinc/03/27/60/152032760.db2.gz BEPZJRAAWQRQDE-KRWDZBQOSA-N 1 2 338.411 2.448 20 30 EEEDLO CCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101558340 159252469 /nfs/dbraw/zinc/25/24/69/159252469.db2.gz MNPRKOUXANTFKH-CQSZACIVSA-N 1 2 332.423 2.124 20 30 EEEDLO C[C@@H]1CCN(CC(=O)Nc2sccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000245560409 160242992 /nfs/dbraw/zinc/24/29/92/160242992.db2.gz BVZQWEUFMQACIE-TZMCWYRMSA-N 1 2 329.429 2.338 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3cc(=O)n4ccccc4n3)CCO2)c1 ZINC000341810506 161015125 /nfs/dbraw/zinc/01/51/25/161015125.db2.gz OWJRQXUWUAUUCG-SFHVURJKSA-N 1 2 346.390 2.140 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cc(=O)n4ccccc4n3)CCO2)c1 ZINC000341810506 161015126 /nfs/dbraw/zinc/01/51/26/161015126.db2.gz OWJRQXUWUAUUCG-SFHVURJKSA-N 1 2 346.390 2.140 20 30 EEEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000124637444 222457683 /nfs/dbraw/zinc/45/76/83/222457683.db2.gz VPWMKSZZBHUUKA-INIZCTEOSA-N 1 2 347.890 2.224 20 30 EEEDLO Cc1[nH+]c2cc(NC(=O)C(=O)Nc3sccc3C#N)ccc2n1C ZINC000519558855 268079294 /nfs/dbraw/zinc/07/92/94/268079294.db2.gz SVMYBTUZEGAWLI-UHFFFAOYSA-N 1 2 339.380 2.392 20 30 EEEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCO[C@@H](C4CCC4)C3)C2=O)cc1 ZINC000333687601 268126977 /nfs/dbraw/zinc/12/69/77/268126977.db2.gz AOJHPFKYMZNDNU-ZWKOTPCHSA-N 1 2 325.412 2.164 20 30 EEEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCO[C@@H](C4CCC4)C3)C2=O)cc1 ZINC000333687601 268126980 /nfs/dbraw/zinc/12/69/80/268126980.db2.gz AOJHPFKYMZNDNU-ZWKOTPCHSA-N 1 2 325.412 2.164 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc(C(F)F)no3)CC2)cc1 ZINC000425381594 268220725 /nfs/dbraw/zinc/22/07/25/268220725.db2.gz GAEVFCDICKJGDK-UHFFFAOYSA-N 1 2 333.342 2.197 20 30 EEEDLO N#Cc1ccc(CNC(=O)COc2ccccc2-n2cc[nH+]c2)cc1 ZINC000530873624 268226659 /nfs/dbraw/zinc/22/66/59/268226659.db2.gz OXWIECRQRNBELA-UHFFFAOYSA-N 1 2 332.363 2.439 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000444735399 268241874 /nfs/dbraw/zinc/24/18/74/268241874.db2.gz ZVAVPIZERJGTMX-DOMZBBRYSA-N 1 2 341.333 2.132 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000444735399 268241876 /nfs/dbraw/zinc/24/18/76/268241876.db2.gz ZVAVPIZERJGTMX-DOMZBBRYSA-N 1 2 341.333 2.132 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000444735402 268242298 /nfs/dbraw/zinc/24/22/98/268242298.db2.gz ZVAVPIZERJGTMX-WFASDCNBSA-N 1 2 341.333 2.132 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000444735402 268242299 /nfs/dbraw/zinc/24/22/99/268242299.db2.gz ZVAVPIZERJGTMX-WFASDCNBSA-N 1 2 341.333 2.132 20 30 EEEDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000496056769 277238976 /nfs/dbraw/zinc/23/89/76/277238976.db2.gz KKOWTFVOUCBQDA-AWEZNQCLSA-N 1 2 332.360 2.177 20 30 EEEDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000496056769 277238977 /nfs/dbraw/zinc/23/89/77/277238977.db2.gz KKOWTFVOUCBQDA-AWEZNQCLSA-N 1 2 332.360 2.177 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnns3)[C@@H]2CC)cc1 ZINC001087682208 782057752 /nfs/dbraw/zinc/05/77/52/782057752.db2.gz LRBAKMTUOFIRIS-DLBZAZTESA-N 1 2 340.452 2.302 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnns3)[C@@H]2CC)cc1 ZINC001087682208 782057761 /nfs/dbraw/zinc/05/77/61/782057761.db2.gz LRBAKMTUOFIRIS-DLBZAZTESA-N 1 2 340.452 2.302 20 30 EEEDLO N#Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000378616884 303182565 /nfs/dbraw/zinc/18/25/65/303182565.db2.gz DCPKZPFGENZFEF-GFCCVEGCSA-N 1 2 338.339 2.085 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1Cl ZINC000548813435 318413666 /nfs/dbraw/zinc/41/36/66/318413666.db2.gz SDOQOKTZLHTPAC-INIZCTEOSA-N 1 2 326.787 2.393 20 30 EEEDLO N#Cc1cnn2cc(C[NH2+]Cc3ccn(-c4ccccc4)n3)cnc12 ZINC000556212392 318613808 /nfs/dbraw/zinc/61/38/08/318613808.db2.gz BYBWVFLSRWKHKE-UHFFFAOYSA-N 1 2 329.367 2.076 20 30 EEEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280334435 464197657 /nfs/dbraw/zinc/19/76/57/464197657.db2.gz BLOYUJWNKBMPJB-HNNXBMFYSA-N 1 2 329.444 2.280 20 30 EEEDLO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000336870539 465062372 /nfs/dbraw/zinc/06/23/72/465062372.db2.gz JUKJNVKBJLAGNX-IRXDYDNUSA-N 1 2 335.473 2.040 20 30 EEEDLO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000336870539 465062376 /nfs/dbraw/zinc/06/23/76/465062376.db2.gz JUKJNVKBJLAGNX-IRXDYDNUSA-N 1 2 335.473 2.040 20 30 EEEDLO Cc1[nH+]c[nH]c1CNC(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O ZINC000328852517 465148132 /nfs/dbraw/zinc/14/81/32/465148132.db2.gz IVAWHBUPJFMUKR-GHMZBOCLSA-N 1 2 347.419 2.126 20 30 EEEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CC[C@@H](C2CCOCC2)C1 ZINC000328852471 465148232 /nfs/dbraw/zinc/14/82/32/465148232.db2.gz SHSILSHKWYELSD-MRXNPFEDSA-N 1 2 346.475 2.424 20 30 EEEDLO Cc1[nH+]c[nH]c1CNC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000358591612 465209324 /nfs/dbraw/zinc/20/93/24/465209324.db2.gz GVXYHTPFBANQMS-UHFFFAOYSA-N 1 2 339.399 2.061 20 30 EEEDLO C=CCOc1cccnc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000341526689 465215615 /nfs/dbraw/zinc/21/56/15/465215615.db2.gz NBVDVRKUHUPMLB-OAHLLOKOSA-N 1 2 325.368 2.335 20 30 EEEDLO C=CCN1CC[C@H]([NH2+][C@H](C)c2nc(-c3ccccc3OC)no2)C1=O ZINC000337214886 465246700 /nfs/dbraw/zinc/24/67/00/465246700.db2.gz XWCHNHKFVFSNMT-OCCSQVGLSA-N 1 2 342.399 2.183 20 30 EEEDLO Cc1nc([C@H]2CCCN2C(=O)NCc2cn3ccccc3[nH+]2)no1 ZINC000329274668 465286665 /nfs/dbraw/zinc/28/66/65/465286665.db2.gz ILRAEQJZVHGQFO-CYBMUJFWSA-N 1 2 326.360 2.277 20 30 EEEDLO C=CCCCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000356032781 465288840 /nfs/dbraw/zinc/28/88/40/465288840.db2.gz FTQGISDRUFCZAV-MRXNPFEDSA-N 1 2 332.448 2.100 20 30 EEEDLO C=CCCCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000356032781 465288843 /nfs/dbraw/zinc/28/88/43/465288843.db2.gz FTQGISDRUFCZAV-MRXNPFEDSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000342362197 465313681 /nfs/dbraw/zinc/31/36/81/465313681.db2.gz BKDSRMHTHWLDQD-CQSZACIVSA-N 1 2 329.400 2.136 20 30 EEEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCSc3ccccc32)CC1 ZINC000329599338 465383334 /nfs/dbraw/zinc/38/33/34/465383334.db2.gz JTNKNXJCOCVQLT-MRXNPFEDSA-N 1 2 347.484 2.387 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000578967576 468287214 /nfs/dbraw/zinc/28/72/14/468287214.db2.gz PGHWMZRLKMPVLY-PMPSAXMXSA-N 1 2 344.390 2.291 20 30 EEEDLO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCN(CC#N)CC1 ZINC000129927002 462731864 /nfs/dbraw/zinc/73/18/64/462731864.db2.gz ZXKDVPQQAUAUED-UHFFFAOYSA-N 1 2 337.471 2.498 20 30 EEEDLO COc1cc(/C=C\C(=O)N[C@H](C)Cn2cc[nH+]c2)ccc1OCC#N ZINC000491187939 468316177 /nfs/dbraw/zinc/31/61/77/468316177.db2.gz VILYCGKNTOJIEC-KXQLTZBTSA-N 1 2 340.383 2.012 20 30 EEEDLO CCCCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000065534841 462792293 /nfs/dbraw/zinc/79/22/93/462792293.db2.gz QVXXRMSULWRCOK-INIZCTEOSA-N 1 2 329.444 2.408 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2cccnc2)CC1 ZINC000091076757 462829423 /nfs/dbraw/zinc/82/94/23/462829423.db2.gz LKGZGQWUQXWEIZ-KRWDZBQOSA-N 1 2 330.476 2.012 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[NH+](Cc2cccnc2)CC1 ZINC000091076757 462829427 /nfs/dbraw/zinc/82/94/27/462829427.db2.gz LKGZGQWUQXWEIZ-KRWDZBQOSA-N 1 2 330.476 2.012 20 30 EEEDLO C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(C#N)c1 ZINC000026323731 463158844 /nfs/dbraw/zinc/15/88/44/463158844.db2.gz YSASLLBXGJAQOS-UHFFFAOYSA-N 1 2 337.379 2.400 20 30 EEEDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(C#N)c1 ZINC000026323731 463158849 /nfs/dbraw/zinc/15/88/49/463158849.db2.gz YSASLLBXGJAQOS-UHFFFAOYSA-N 1 2 337.379 2.400 20 30 EEEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000026717470 463170587 /nfs/dbraw/zinc/17/05/87/463170587.db2.gz GCVWGHKGTFKQEJ-UHFFFAOYSA-N 1 2 339.355 2.310 20 30 EEEDLO CCOCCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000157876120 463179732 /nfs/dbraw/zinc/17/97/32/463179732.db2.gz KDWODYUGKRMKCS-HIFRSBDPSA-N 1 2 349.431 2.223 20 30 EEEDLO CCOCCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000157876120 463179736 /nfs/dbraw/zinc/17/97/36/463179736.db2.gz KDWODYUGKRMKCS-HIFRSBDPSA-N 1 2 349.431 2.223 20 30 EEEDLO N#Cc1ccccc1-c1ccccc1C(=O)NCC[NH+]1CCOCC1 ZINC000027774261 463204079 /nfs/dbraw/zinc/20/40/79/463204079.db2.gz NYNWGQXVPPJHJU-UHFFFAOYSA-N 1 2 335.407 2.287 20 30 EEEDLO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029858373 463276770 /nfs/dbraw/zinc/27/67/70/463276770.db2.gz SVTRJBUKSAQQPJ-CYBMUJFWSA-N 1 2 332.423 2.123 20 30 EEEDLO CCC[N@H+](CC(=O)NCC#N)Cc1nnc(-c2ccccc2Cl)o1 ZINC000080925475 463368283 /nfs/dbraw/zinc/36/82/83/463368283.db2.gz XGCJQXBFCDQOJC-UHFFFAOYSA-N 1 2 347.806 2.242 20 30 EEEDLO CCC[N@@H+](CC(=O)NCC#N)Cc1nnc(-c2ccccc2Cl)o1 ZINC000080925475 463368288 /nfs/dbraw/zinc/36/82/88/463368288.db2.gz XGCJQXBFCDQOJC-UHFFFAOYSA-N 1 2 347.806 2.242 20 30 EEEDLO C=CCN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000161433965 463430153 /nfs/dbraw/zinc/43/01/53/463430153.db2.gz CPBCMAYDFACSJQ-INIZCTEOSA-N 1 2 344.415 2.354 20 30 EEEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000151240298 463499173 /nfs/dbraw/zinc/49/91/73/463499173.db2.gz JBCHIQKSDBDVPZ-CJNGLKHVSA-N 1 2 330.413 2.027 20 30 EEEDLO COCCCCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000058579386 463611067 /nfs/dbraw/zinc/61/10/67/463611067.db2.gz LMHHKQSHAJTDJP-UHFFFAOYSA-N 1 2 344.459 2.202 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N([C@@H](C)C2CC2)C2CC2)cs1 ZINC000177476575 463715446 /nfs/dbraw/zinc/71/54/46/463715446.db2.gz DFJJOMUQABFDNP-JTQLQIEISA-N 1 2 336.461 2.072 20 30 EEEDLO C[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000276747078 463741766 /nfs/dbraw/zinc/74/17/66/463741766.db2.gz XJJBPEDCRFLRCY-YJBOKZPZSA-N 1 2 327.428 2.018 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255682829 463742204 /nfs/dbraw/zinc/74/22/04/463742204.db2.gz QTRXDVGMBNXNKJ-TWVNLXSWSA-N 1 2 340.471 2.078 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000255682829 463742207 /nfs/dbraw/zinc/74/22/07/463742207.db2.gz QTRXDVGMBNXNKJ-TWVNLXSWSA-N 1 2 340.471 2.078 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@](F)(CO)C2)cc1C ZINC000286945795 463751000 /nfs/dbraw/zinc/75/10/00/463751000.db2.gz OBXIZFIXJMUKGR-LJQANCHMSA-N 1 2 347.434 2.347 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@](F)(CO)C2)cc1C ZINC000286945795 463751005 /nfs/dbraw/zinc/75/10/05/463751005.db2.gz OBXIZFIXJMUKGR-LJQANCHMSA-N 1 2 347.434 2.347 20 30 EEEDLO Cc1sc(NC(=O)C[NH2+][C@H](CCO)c2ccco2)c(C#N)c1C ZINC000185090761 463751097 /nfs/dbraw/zinc/75/10/97/463751097.db2.gz IWRHVESNDMTHST-CYBMUJFWSA-N 1 2 333.413 2.481 20 30 EEEDLO C=CCn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1C(C)(C)C ZINC000283441403 463885943 /nfs/dbraw/zinc/88/59/43/463885943.db2.gz HUQOCZWUCXGFER-UHFFFAOYSA-N 1 2 326.448 2.483 20 30 EEEDLO N#Cc1ccc(CC(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000194716331 463914865 /nfs/dbraw/zinc/91/48/65/463914865.db2.gz NDRIUBNTXRZJGC-UHFFFAOYSA-N 1 2 349.434 2.324 20 30 EEEDLO CCN(CC)C(=O)CN1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186290471 463969687 /nfs/dbraw/zinc/96/96/87/463969687.db2.gz JIWAVRUUHVDHHU-MRXNPFEDSA-N 1 2 328.460 2.105 20 30 EEEDLO CCN(CC)C(=O)C[NH+]1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186290471 463969692 /nfs/dbraw/zinc/96/96/92/463969692.db2.gz JIWAVRUUHVDHHU-MRXNPFEDSA-N 1 2 328.460 2.105 20 30 EEEDLO Cc1cc[nH+]c(NCCCc2[nH]nc(N)c2C#N)c1Br ZINC000278692203 463976263 /nfs/dbraw/zinc/97/62/63/463976263.db2.gz MDOWZOOMNUNKIL-UHFFFAOYSA-N 1 2 335.209 2.374 20 30 EEEDLO N#CCC1CC[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000542879970 468389737 /nfs/dbraw/zinc/38/97/37/468389737.db2.gz YRKOIPRNKGFONH-UHFFFAOYSA-N 1 2 348.410 2.308 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000172671300 464127558 /nfs/dbraw/zinc/12/75/58/464127558.db2.gz BSRCQSQXERUNGO-AWEZNQCLSA-N 1 2 333.413 2.041 20 30 EEEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H]1OCCc2ccccc21 ZINC000263682339 464152144 /nfs/dbraw/zinc/15/21/44/464152144.db2.gz IMSUYVIJPMYRDS-IEBWSBKVSA-N 1 2 327.428 2.041 20 30 EEEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H]1OCCc2ccccc21 ZINC000263682339 464152148 /nfs/dbraw/zinc/15/21/48/464152148.db2.gz IMSUYVIJPMYRDS-IEBWSBKVSA-N 1 2 327.428 2.041 20 30 EEEDLO NC(=[NH+]OCC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000284418441 464184278 /nfs/dbraw/zinc/18/42/78/464184278.db2.gz OAPWTTVSBHOXDM-LLVKDONJSA-N 1 2 331.294 2.112 20 30 EEEDLO CCN1CCN([C@H](C)C(=O)Nc2nccs2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329895803 465465977 /nfs/dbraw/zinc/46/59/77/465465977.db2.gz CCYPTSJNEJYDFU-NEPJUHHUSA-N 1 2 334.449 2.222 20 30 EEEDLO C=CCN1CC[C@H]([NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)C1=O ZINC000281367071 464429032 /nfs/dbraw/zinc/42/90/32/464429032.db2.gz YEEICTMIHRQJHN-IRXDYDNUSA-N 1 2 328.391 2.025 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC[C@@H](O)c2ccccc2)cc1OC ZINC000285087971 464449561 /nfs/dbraw/zinc/44/95/61/464449561.db2.gz IKFUWZSCQADDPI-OAHLLOKOSA-N 1 2 330.384 2.464 20 30 EEEDLO Cc1ccccc1OCCC[N@H+](CCC#N)CCN1CCOCC1 ZINC000174830742 464455449 /nfs/dbraw/zinc/45/54/49/464455449.db2.gz SYCIPZLITZREOK-UHFFFAOYSA-N 1 2 331.460 2.312 20 30 EEEDLO Cc1ccccc1OCCC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000174830742 464455451 /nfs/dbraw/zinc/45/54/51/464455451.db2.gz SYCIPZLITZREOK-UHFFFAOYSA-N 1 2 331.460 2.312 20 30 EEEDLO Cc1ccccc1OCCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000174830742 464455456 /nfs/dbraw/zinc/45/54/56/464455456.db2.gz SYCIPZLITZREOK-UHFFFAOYSA-N 1 2 331.460 2.312 20 30 EEEDLO COc1cc(CNc2cccc(CN3CCOCC3)[nH+]2)ccc1C#N ZINC000281469915 464467041 /nfs/dbraw/zinc/46/70/41/464467041.db2.gz BMIPTOYPXZRUMX-UHFFFAOYSA-N 1 2 338.411 2.406 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181312451 464469465 /nfs/dbraw/zinc/46/94/65/464469465.db2.gz VDCTVVQQEUFOQD-JSGCOSHPSA-N 1 2 343.349 2.177 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181312451 464469472 /nfs/dbraw/zinc/46/94/72/464469472.db2.gz VDCTVVQQEUFOQD-JSGCOSHPSA-N 1 2 343.349 2.177 20 30 EEEDLO C=CCc1cc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc(OC)c1O ZINC000245574908 464496413 /nfs/dbraw/zinc/49/64/13/464496413.db2.gz ZQXIVCIGFOCLPF-JKSUJKDBSA-N 1 2 330.428 2.372 20 30 EEEDLO C=CCc1cc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)cc(OC)c1O ZINC000245574908 464496419 /nfs/dbraw/zinc/49/64/19/464496419.db2.gz ZQXIVCIGFOCLPF-JKSUJKDBSA-N 1 2 330.428 2.372 20 30 EEEDLO CC[C@@](C)(C#N)C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000285307089 464518137 /nfs/dbraw/zinc/51/81/37/464518137.db2.gz WKWHXZXODHIMKL-HKUYNNGSSA-N 1 2 329.444 2.424 20 30 EEEDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000285504931 464588776 /nfs/dbraw/zinc/58/87/76/464588776.db2.gz NMZLURMNCWTPGC-INIZCTEOSA-N 1 2 344.415 2.049 20 30 EEEDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000285504931 464588778 /nfs/dbraw/zinc/58/87/78/464588778.db2.gz NMZLURMNCWTPGC-INIZCTEOSA-N 1 2 344.415 2.049 20 30 EEEDLO CC(C)[C@H](C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000265602353 464614820 /nfs/dbraw/zinc/61/48/20/464614820.db2.gz VHHHRFCPFAXYRG-YOEHRIQHSA-N 1 2 332.423 2.001 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000281900242 464628327 /nfs/dbraw/zinc/62/83/27/464628327.db2.gz XCXWFWAROUZLMA-DOTOQJQBSA-N 1 2 333.432 2.088 20 30 EEEDLO Cc1noc([C@H]2CCCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)n1 ZINC000285628013 464633555 /nfs/dbraw/zinc/63/35/55/464633555.db2.gz LDRZRDOYUMTFHQ-DOTOQJQBSA-N 1 2 342.399 2.217 20 30 EEEDLO Cc1noc([C@H]2CCCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)n1 ZINC000285628013 464633558 /nfs/dbraw/zinc/63/35/58/464633558.db2.gz LDRZRDOYUMTFHQ-DOTOQJQBSA-N 1 2 342.399 2.217 20 30 EEEDLO C[C@H]1COc2ccccc2C[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000273019605 464698937 /nfs/dbraw/zinc/69/89/37/464698937.db2.gz RXMQJZGWJMAZAI-HNNXBMFYSA-N 1 2 335.407 2.458 20 30 EEEDLO C[C@H]1COc2ccccc2C[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000273019605 464698943 /nfs/dbraw/zinc/69/89/43/464698943.db2.gz RXMQJZGWJMAZAI-HNNXBMFYSA-N 1 2 335.407 2.458 20 30 EEEDLO COC(=O)c1cccc(OCCO[NH+]=C(N)Cc2csc(C)n2)c1 ZINC000266597940 464778610 /nfs/dbraw/zinc/77/86/10/464778610.db2.gz BXHXRHCEYJPTFD-UHFFFAOYSA-N 1 2 349.412 2.148 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000275690176 464785104 /nfs/dbraw/zinc/78/51/04/464785104.db2.gz IWIUQQZVHXVEPT-FQEVSTJZSA-N 1 2 346.471 2.364 20 30 EEEDLO CCOc1cccc(N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)n1 ZINC000191255305 464809169 /nfs/dbraw/zinc/80/91/69/464809169.db2.gz KTEKATLOADCJGN-UHFFFAOYSA-N 1 2 325.416 2.013 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N[C@@H]2CCCC[C@H]2C)cc1OC ZINC000298718214 465482537 /nfs/dbraw/zinc/48/25/37/465482537.db2.gz CSLSMVVSICCSIQ-TZMCWYRMSA-N 1 2 349.431 2.036 20 30 EEEDLO CC(C)(CC#N)CS(=O)(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000295658084 464919716 /nfs/dbraw/zinc/91/97/16/464919716.db2.gz AEDLFGVGLXHHEG-UHFFFAOYSA-N 1 2 349.500 2.116 20 30 EEEDLO N#CCCN(CC#Cc1ccc(Cl)cc1)CC[NH+]1CCOCC1 ZINC000177298338 464980695 /nfs/dbraw/zinc/98/06/95/464980695.db2.gz BSPDPODFWZILPO-UHFFFAOYSA-N 1 2 331.847 2.239 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000184577655 464999975 /nfs/dbraw/zinc/99/99/75/464999975.db2.gz CBTTZUMFBJNANZ-HNNXBMFYSA-N 1 2 334.489 2.022 20 30 EEEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000329794402 465437047 /nfs/dbraw/zinc/43/70/47/465437047.db2.gz VYDWSXQZVWCHRH-VZJVUDMVSA-N 1 2 335.791 2.496 20 30 EEEDLO CN(Cc1nccn1C(F)F)C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329898073 465466640 /nfs/dbraw/zinc/46/66/40/465466640.db2.gz DLQZBVCJNQKPNL-NSHDSACASA-N 1 2 338.362 2.083 20 30 EEEDLO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@@H]1OCCc2ccccc21 ZINC000337634509 465484412 /nfs/dbraw/zinc/48/44/12/465484412.db2.gz BKJDADLQRJLRSR-FQEVSTJZSA-N 1 2 349.434 2.420 20 30 EEEDLO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@@H]1OCCc2ccccc21 ZINC000337634509 465484416 /nfs/dbraw/zinc/48/44/16/465484416.db2.gz BKJDADLQRJLRSR-FQEVSTJZSA-N 1 2 349.434 2.420 20 30 EEEDLO CCN1CCN(C(=O)NCc2sc(C)nc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000330000060 465501818 /nfs/dbraw/zinc/50/18/18/465501818.db2.gz VWFHEIGYHOWNAJ-ZDUSSCGKSA-N 1 2 348.476 2.276 20 30 EEEDLO Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)c(C)c1 ZINC000330016863 465506855 /nfs/dbraw/zinc/50/68/55/465506855.db2.gz QFOZQZNVPMYFHF-MRXNPFEDSA-N 1 2 344.459 2.025 20 30 EEEDLO Cc1cc(C)c(CCNC(=O)C[N@H+]2CCN3C(=O)NC[C@@H]3C2)c(C)c1 ZINC000330016863 465506862 /nfs/dbraw/zinc/50/68/62/465506862.db2.gz QFOZQZNVPMYFHF-MRXNPFEDSA-N 1 2 344.459 2.025 20 30 EEEDLO Cn1cc(C[NH+]2CCN(C(=O)NCC3C(C)(C)C3(C)C)CC2)cn1 ZINC000330035735 465513831 /nfs/dbraw/zinc/51/38/31/465513831.db2.gz XQEQAMPSORRANY-UHFFFAOYSA-N 1 2 333.480 2.134 20 30 EEEDLO N#CCCCS(=O)(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000352297747 465514096 /nfs/dbraw/zinc/51/40/96/465514096.db2.gz OHEXCCRPBWVBBG-MRXNPFEDSA-N 1 2 347.440 2.334 20 30 EEEDLO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)CC[N@@H+]1C ZINC000330069374 465523539 /nfs/dbraw/zinc/52/35/39/465523539.db2.gz HDOYTXWSYJBCNE-MNOVXSKESA-N 1 2 349.460 2.225 20 30 EEEDLO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)CC[N@H+]1C ZINC000330069374 465523545 /nfs/dbraw/zinc/52/35/45/465523545.db2.gz HDOYTXWSYJBCNE-MNOVXSKESA-N 1 2 349.460 2.225 20 30 EEEDLO Cn1c[nH+]cc1CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348331169 465554288 /nfs/dbraw/zinc/55/42/88/465554288.db2.gz QFJCINNPEJMOPT-KRWDZBQOSA-N 1 2 329.835 2.456 20 30 EEEDLO COC(=O)c1ccc(N2CC[N@H+](C[C@@H](C#N)CCC#N)[C@@H](C)C2)cc1 ZINC000352789822 465555176 /nfs/dbraw/zinc/55/51/76/465555176.db2.gz PNOFJRVOJPHFGF-JKSUJKDBSA-N 1 2 340.427 2.427 20 30 EEEDLO COC(=O)c1ccc(N2CC[N@@H+](C[C@@H](C#N)CCC#N)[C@@H](C)C2)cc1 ZINC000352789822 465555186 /nfs/dbraw/zinc/55/51/86/465555186.db2.gz PNOFJRVOJPHFGF-JKSUJKDBSA-N 1 2 340.427 2.427 20 30 EEEDLO N#Cc1cc(-c2ccc(OCC[N@@H+]3CCNC(=O)C3)cc2)ccc1F ZINC000593955015 468443816 /nfs/dbraw/zinc/44/38/16/468443816.db2.gz WIOPNKDMGBROHM-UHFFFAOYSA-N 1 2 339.370 2.175 20 30 EEEDLO N#Cc1cc(-c2ccc(OCC[N@H+]3CCNC(=O)C3)cc2)ccc1F ZINC000593955015 468443818 /nfs/dbraw/zinc/44/38/18/468443818.db2.gz WIOPNKDMGBROHM-UHFFFAOYSA-N 1 2 339.370 2.175 20 30 EEEDLO COC[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccco1 ZINC000299068284 465584797 /nfs/dbraw/zinc/58/47/97/465584797.db2.gz SWHDGDQPWIOAJB-OLZOCXBDSA-N 1 2 331.397 2.295 20 30 EEEDLO N#Cc1cccc([C@@H]2CN(C(=O)c3ccc4[nH+]ccn4c3)CCO2)c1 ZINC000371259437 465673197 /nfs/dbraw/zinc/67/31/97/465673197.db2.gz TYSPKXIAAPUQQW-KRWDZBQOSA-N 1 2 332.363 2.420 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000357043254 465723670 /nfs/dbraw/zinc/72/36/70/465723670.db2.gz UAOPUPWFVFKZEQ-HNNXBMFYSA-N 1 2 342.439 2.420 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000357043254 465723677 /nfs/dbraw/zinc/72/36/77/465723677.db2.gz UAOPUPWFVFKZEQ-HNNXBMFYSA-N 1 2 342.439 2.420 20 30 EEEDLO N#Cc1cccc(F)c1CC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000353240413 465739405 /nfs/dbraw/zinc/73/94/05/465739405.db2.gz XUBSHHDWVBSLDT-UHFFFAOYSA-N 1 2 348.381 3.016 20 30 EEEDLO CCCCCCCCOCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366552080 465798288 /nfs/dbraw/zinc/79/82/88/465798288.db2.gz KNNUDAPHEAVDTO-QGZVFWFLSA-N 1 2 326.481 2.297 20 30 EEEDLO CNC(=O)CCN(C)C(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000330785052 465803336 /nfs/dbraw/zinc/80/33/36/465803336.db2.gz SUYZDOMIBMUFHN-CQSZACIVSA-N 1 2 347.463 2.382 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000357158444 465819598 /nfs/dbraw/zinc/81/95/98/465819598.db2.gz HEOGILOUMXULBA-SJLPKXTDSA-N 1 2 329.444 2.253 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)CCc3[nH]cc[nH+]3)C2)c(F)c1 ZINC000353497268 465932218 /nfs/dbraw/zinc/93/22/18/465932218.db2.gz CQKOXCXZICVXPF-AWEZNQCLSA-N 1 2 341.390 2.138 20 30 EEEDLO N#Cc1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000353510493 465942907 /nfs/dbraw/zinc/94/29/07/465942907.db2.gz MWDUAPIEHASHQT-UHFFFAOYSA-N 1 2 325.347 2.446 20 30 EEEDLO CC(=O)N1CC[NH+](CCNC(=O)c2ccccc2C(C)(C)C)CC1 ZINC000331218476 465985903 /nfs/dbraw/zinc/98/59/03/465985903.db2.gz RVBMXQGRJBWEIB-UHFFFAOYSA-N 1 2 331.460 2.453 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ncc(C(C)(C)C)s1 ZINC000331226614 465988521 /nfs/dbraw/zinc/98/85/21/465988521.db2.gz BBWFMKWRNSQBIW-LLVKDONJSA-N 1 2 326.466 2.487 20 30 EEEDLO C=CCNC(=O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302024359 466081802 /nfs/dbraw/zinc/08/18/02/466081802.db2.gz HCEBREULDFNDBF-UHFFFAOYSA-N 1 2 327.344 2.074 20 30 EEEDLO Cc1cc(C[N@@H+](C)Cc2ccccc2S(N)(=O)=O)ccc1C#N ZINC000353879254 466225018 /nfs/dbraw/zinc/22/50/18/466225018.db2.gz GKOFNSWBFYPQPF-UHFFFAOYSA-N 1 2 329.425 2.146 20 30 EEEDLO Cc1cc(C[N@H+](C)Cc2ccccc2S(N)(=O)=O)ccc1C#N ZINC000353879254 466225026 /nfs/dbraw/zinc/22/50/26/466225026.db2.gz GKOFNSWBFYPQPF-UHFFFAOYSA-N 1 2 329.425 2.146 20 30 EEEDLO C=CCn1c(SCC[N@H+]2CCOC[C@H]2C)nnc1-c1ccccn1 ZINC000340715343 466284911 /nfs/dbraw/zinc/28/49/11/466284911.db2.gz SPEPZNSRGKXEGP-CQSZACIVSA-N 1 2 345.472 2.339 20 30 EEEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@H]2C)nnc1-c1ccccn1 ZINC000340715343 466284921 /nfs/dbraw/zinc/28/49/21/466284921.db2.gz SPEPZNSRGKXEGP-CQSZACIVSA-N 1 2 345.472 2.339 20 30 EEEDLO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)no1 ZINC000363476843 466428111 /nfs/dbraw/zinc/42/81/11/466428111.db2.gz YPKKNZSBDLDJPW-UHFFFAOYSA-N 1 2 342.374 2.388 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000340921970 466437329 /nfs/dbraw/zinc/43/73/29/466437329.db2.gz FREJJADGOKMKSG-MGPQQGTHSA-N 1 2 333.457 2.332 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C[C@H]1C ZINC000340921970 466437336 /nfs/dbraw/zinc/43/73/36/466437336.db2.gz FREJJADGOKMKSG-MGPQQGTHSA-N 1 2 333.457 2.332 20 30 EEEDLO N#Cc1ccncc1NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000354326435 466476668 /nfs/dbraw/zinc/47/66/68/466476668.db2.gz BXNZFIGUWSRHMQ-UHFFFAOYSA-N 1 2 341.459 2.090 20 30 EEEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000332393377 466541393 /nfs/dbraw/zinc/54/13/93/466541393.db2.gz NDRHTZQLFDSQKE-UHFFFAOYSA-N 1 2 337.427 2.296 20 30 EEEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000363884434 466645721 /nfs/dbraw/zinc/64/57/21/466645721.db2.gz NIKCANCSDZLHMK-OALUTQOASA-N 1 2 335.407 2.073 20 30 EEEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000363884434 466645725 /nfs/dbraw/zinc/64/57/25/466645725.db2.gz NIKCANCSDZLHMK-OALUTQOASA-N 1 2 335.407 2.073 20 30 EEEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](c1ccc(C)cc1)c1ccccn1 ZINC000369313444 466725136 /nfs/dbraw/zinc/72/51/36/466725136.db2.gz ASNXAGZCTHJBQL-GOSISDBHSA-N 1 2 338.411 2.081 20 30 EEEDLO COc1ccc(C(=O)N2CC[NH+]([C@@H](C)CCC#N)CC2)c(OC)c1 ZINC000411179407 466778440 /nfs/dbraw/zinc/77/84/40/466778440.db2.gz CALXHAHKLQZESJ-AWEZNQCLSA-N 1 2 331.416 2.154 20 30 EEEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000373407579 466794382 /nfs/dbraw/zinc/79/43/82/466794382.db2.gz VAQRYMAREJOAIW-QGZVFWFLSA-N 1 2 347.422 2.432 20 30 EEEDLO C#CCOc1ccc(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000370355233 466847064 /nfs/dbraw/zinc/84/70/64/466847064.db2.gz MAQLGKXJEDEJSX-KRWDZBQOSA-N 1 2 327.405 2.317 20 30 EEEDLO COC(=O)[C@]1(C)CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000412059642 466988601 /nfs/dbraw/zinc/98/86/01/466988601.db2.gz CTRRVOYMOXFLQI-QGZVFWFLSA-N 1 2 349.818 2.425 20 30 EEEDLO COC(=O)[C@]1(C)CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000412059642 466988607 /nfs/dbraw/zinc/98/86/07/466988607.db2.gz CTRRVOYMOXFLQI-QGZVFWFLSA-N 1 2 349.818 2.425 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000425481801 467098003 /nfs/dbraw/zinc/09/80/03/467098003.db2.gz GHWMQHUQUGIPQJ-VXGBXAGGSA-N 1 2 339.461 2.393 20 30 EEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000413243635 467195907 /nfs/dbraw/zinc/19/59/07/467195907.db2.gz DUMRMQYNKUBUSP-FUHWJXTLSA-N 1 2 331.460 2.194 20 30 EEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000413243635 467195911 /nfs/dbraw/zinc/19/59/11/467195911.db2.gz DUMRMQYNKUBUSP-FUHWJXTLSA-N 1 2 331.460 2.194 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433961131 467367520 /nfs/dbraw/zinc/36/75/20/467367520.db2.gz RQYMYMCBDXSXTE-UHFFFAOYSA-N 1 2 335.473 2.311 20 30 EEEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000454274927 467580907 /nfs/dbraw/zinc/58/09/07/467580907.db2.gz KMCYEBHNMYANME-UHFFFAOYSA-N 1 2 343.471 2.354 20 30 EEEDLO N#Cc1ccc(Br)c(C[N@H+]2CCSC[C@@H]2CO)c1 ZINC000492586098 467679038 /nfs/dbraw/zinc/67/90/38/467679038.db2.gz YNHUYNHRGDEKNP-LBPRGKRZSA-N 1 2 327.247 2.230 20 30 EEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCSC[C@@H]2CO)c1 ZINC000492586098 467679041 /nfs/dbraw/zinc/67/90/41/467679041.db2.gz YNHUYNHRGDEKNP-LBPRGKRZSA-N 1 2 327.247 2.230 20 30 EEEDLO COCc1ccc(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1C#N ZINC000529208221 467828075 /nfs/dbraw/zinc/82/80/75/467828075.db2.gz ZDRSQSWFZVBUIW-CQSZACIVSA-N 1 2 325.372 2.107 20 30 EEEDLO COCc1ccc(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1C#N ZINC000529208221 467828081 /nfs/dbraw/zinc/82/80/81/467828081.db2.gz ZDRSQSWFZVBUIW-CQSZACIVSA-N 1 2 325.372 2.107 20 30 EEEDLO COC(=O)Nc1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000497248084 467904184 /nfs/dbraw/zinc/90/41/84/467904184.db2.gz WJTODSLWOMOKNS-MRXNPFEDSA-N 1 2 338.367 2.053 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000488402336 468085247 /nfs/dbraw/zinc/08/52/47/468085247.db2.gz WHTHFDFNMSXKES-UHFFFAOYSA-N 1 2 328.416 2.237 20 30 EEEDLO CC(C)COC(=O)N1CCC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)CC1 ZINC000495884434 468106231 /nfs/dbraw/zinc/10/62/31/468106231.db2.gz HXLLXUFJFSJXCM-GJZGRUSLSA-N 1 2 335.452 2.091 20 30 EEEDLO C=C[C@H](CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1)c1ccccc1 ZINC000576029699 468157702 /nfs/dbraw/zinc/15/77/02/468157702.db2.gz XAHAXRDTJQYVNJ-IAGOWNOFSA-N 1 2 344.455 2.348 20 30 EEEDLO C=C[C@H](CC(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1)c1ccccc1 ZINC000576029699 468157709 /nfs/dbraw/zinc/15/77/09/468157709.db2.gz XAHAXRDTJQYVNJ-IAGOWNOFSA-N 1 2 344.455 2.348 20 30 EEEDLO N#Cc1ccc(NCC(=O)NCC2CC[NH+](CC(F)F)CC2)cc1 ZINC000590375310 468242921 /nfs/dbraw/zinc/24/29/21/468242921.db2.gz FMDDFZCNMVTMHX-UHFFFAOYSA-N 1 2 336.386 2.063 20 30 EEEDLO CN1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1(C)C ZINC000556085163 468507907 /nfs/dbraw/zinc/50/79/07/468507907.db2.gz RBDVOQWHYCZVHW-KRWDZBQOSA-N 1 2 326.444 2.080 20 30 EEEDLO CN1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1(C)C ZINC000556085163 468507908 /nfs/dbraw/zinc/50/79/08/468507908.db2.gz RBDVOQWHYCZVHW-KRWDZBQOSA-N 1 2 326.444 2.080 20 30 EEEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000594216906 468516281 /nfs/dbraw/zinc/51/62/81/468516281.db2.gz XZIOHCVCKUMSLL-QGZVFWFLSA-N 1 2 348.450 2.476 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2ccc(F)c(OC)c2)CC1 ZINC000582893353 468613059 /nfs/dbraw/zinc/61/30/59/468613059.db2.gz UZTPRNDAEJAXBD-UHFFFAOYSA-N 1 2 349.450 2.381 20 30 EEEDLO C=CC1CC[NH+](CC(=O)Nc2oc(C)c3c2c(=O)[nH]nc3C)CC1 ZINC000600679929 468618799 /nfs/dbraw/zinc/61/87/99/468618799.db2.gz HWIRXKNGPAWWMN-UHFFFAOYSA-N 1 2 330.388 2.382 20 30 EEEDLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149829 468639638 /nfs/dbraw/zinc/63/96/38/468639638.db2.gz XLACIVDVULWLJD-APWZRJJASA-N 1 2 345.443 2.003 20 30 EEEDLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149829 468639643 /nfs/dbraw/zinc/63/96/43/468639643.db2.gz XLACIVDVULWLJD-APWZRJJASA-N 1 2 345.443 2.003 20 30 EEEDLO CCn1cc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)nn1 ZINC000594971557 468734734 /nfs/dbraw/zinc/73/47/34/468734734.db2.gz LFKCZNWWGHMPSJ-UHFFFAOYSA-N 1 2 329.404 2.279 20 30 EEEDLO N#Cc1cc(C(=O)NCC2CC[NH+](CC(F)F)CC2)ccc1F ZINC000583839817 468763796 /nfs/dbraw/zinc/76/37/96/468763796.db2.gz YTACCZSKOHLYOR-UHFFFAOYSA-N 1 2 325.334 2.404 20 30 EEEDLO N#C[C@@]1(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)CC12CCCC2 ZINC000598343223 468837386 /nfs/dbraw/zinc/83/73/86/468837386.db2.gz SOTJZKHSGRDYBF-LJQANCHMSA-N 1 2 331.460 2.031 20 30 EEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)Cc1c[nH+]c[nH]1 ZINC000595596194 468915718 /nfs/dbraw/zinc/91/57/18/468915718.db2.gz LSOCSHOVFZEDAN-AWEZNQCLSA-N 1 2 341.415 2.185 20 30 EEEDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595618205 468925177 /nfs/dbraw/zinc/92/51/77/468925177.db2.gz YVQFEGSPUFHFHX-LBPRGKRZSA-N 1 2 332.360 2.168 20 30 EEEDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595618205 468925183 /nfs/dbraw/zinc/92/51/83/468925183.db2.gz YVQFEGSPUFHFHX-LBPRGKRZSA-N 1 2 332.360 2.168 20 30 EEEDLO CC(C)([NH2+]CC(=O)NC1(C#N)CCC1)c1cc(C(F)(F)F)on1 ZINC000562380803 468947417 /nfs/dbraw/zinc/94/74/17/468947417.db2.gz WCYYLWSLPRUJQF-UHFFFAOYSA-N 1 2 330.310 2.081 20 30 EEEDLO CCc1nsc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000593515665 469012038 /nfs/dbraw/zinc/01/20/38/469012038.db2.gz QIOKZTOUPLDWRF-UHFFFAOYSA-N 1 2 327.457 2.471 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(I)s2)C1 ZINC000602697384 469019084 /nfs/dbraw/zinc/01/90/84/469019084.db2.gz PBSPBMJGLXVXQU-NSHDSACASA-N 1 2 348.209 2.203 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(I)s2)C1 ZINC000602697384 469019088 /nfs/dbraw/zinc/01/90/88/469019088.db2.gz PBSPBMJGLXVXQU-NSHDSACASA-N 1 2 348.209 2.203 20 30 EEEDLO CC[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1nnc2n1CCCCC2 ZINC000595806232 469019767 /nfs/dbraw/zinc/01/97/67/469019767.db2.gz FQEOKQTYHODSMR-RDTXWAMCSA-N 1 2 346.479 2.100 20 30 EEEDLO N#CCC1(C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)CC1 ZINC000602819633 469095876 /nfs/dbraw/zinc/09/58/76/469095876.db2.gz QRKHMUUXTSJLOA-UHFFFAOYSA-N 1 2 331.367 2.373 20 30 EEEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000602862003 469126574 /nfs/dbraw/zinc/12/65/74/469126574.db2.gz IMMBKNWBDCTYAM-HIFRSBDPSA-N 1 2 329.400 2.013 20 30 EEEDLO Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCN(CCC#N)CC2)cc1C ZINC000611174087 469182118 /nfs/dbraw/zinc/18/21/18/469182118.db2.gz VSRTXYOQQSKDCD-QGZVFWFLSA-N 1 2 328.460 2.012 20 30 EEEDLO COC(=O)[C@H]([NH2+]CCOc1ccc(C#N)cc1)[C@@H]1CCC[C@@H](OC)C1 ZINC000573690144 469187789 /nfs/dbraw/zinc/18/77/89/469187789.db2.gz WPYFHCATCBTJLL-KBAYOESNSA-N 1 2 346.427 2.273 20 30 EEEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000602238153 469252838 /nfs/dbraw/zinc/25/28/38/469252838.db2.gz MXTWQOURTYIIDP-SFHVURJKSA-N 1 2 329.444 2.264 20 30 EEEDLO CC[N@H+]1CCOC[C@H]1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000602238153 469252846 /nfs/dbraw/zinc/25/28/46/469252846.db2.gz MXTWQOURTYIIDP-SFHVURJKSA-N 1 2 329.444 2.264 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1C#N ZINC000615806943 469319229 /nfs/dbraw/zinc/31/92/29/469319229.db2.gz VYYZIQDNPKFUFD-URLQWDBASA-N 1 2 349.438 2.138 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1C#N ZINC000615806943 469319236 /nfs/dbraw/zinc/31/92/36/469319236.db2.gz VYYZIQDNPKFUFD-URLQWDBASA-N 1 2 349.438 2.138 20 30 EEEDLO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612162975 469408950 /nfs/dbraw/zinc/40/89/50/469408950.db2.gz SBAMJRLKBBIIGP-IFXJQAMLSA-N 1 2 343.427 2.104 20 30 EEEDLO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612162975 469408954 /nfs/dbraw/zinc/40/89/54/469408954.db2.gz SBAMJRLKBBIIGP-IFXJQAMLSA-N 1 2 343.427 2.104 20 30 EEEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000619450173 469611130 /nfs/dbraw/zinc/61/11/30/469611130.db2.gz SXZPWIIIJIJVTD-MOPGFXCFSA-N 1 2 339.439 2.305 20 30 EEEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000619450173 469611132 /nfs/dbraw/zinc/61/11/32/469611132.db2.gz SXZPWIIIJIJVTD-MOPGFXCFSA-N 1 2 339.439 2.305 20 30 EEEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000619699674 469666168 /nfs/dbraw/zinc/66/61/68/469666168.db2.gz KKPVHZDNPOJDDL-AWEZNQCLSA-N 1 2 331.441 2.142 20 30 EEEDLO COc1cccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1F ZINC000619724998 469670792 /nfs/dbraw/zinc/67/07/92/469670792.db2.gz IRSHZUYWELMGNL-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO N#C[C@H](CCc1ccccc1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000617918704 469837236 /nfs/dbraw/zinc/83/72/36/469837236.db2.gz RLNYPFKBJFOWPA-RBUKOAKNSA-N 1 2 341.455 2.082 20 30 EEEDLO CC1(C)C[N@H+](CCNC(=O)c2cc3ccccc3n2CC#N)CCO1 ZINC000609169065 469900011 /nfs/dbraw/zinc/90/00/11/469900011.db2.gz NCEVAUXDQYKXCX-UHFFFAOYSA-N 1 2 340.427 2.005 20 30 EEEDLO CC1(C)C[N@@H+](CCNC(=O)c2cc3ccccc3n2CC#N)CCO1 ZINC000609169065 469900013 /nfs/dbraw/zinc/90/00/13/469900013.db2.gz NCEVAUXDQYKXCX-UHFFFAOYSA-N 1 2 340.427 2.005 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000609486211 469933155 /nfs/dbraw/zinc/93/31/55/469933155.db2.gz FWQIDNFHKPXRDI-WMZOPIPTSA-N 1 2 334.508 2.237 20 30 EEEDLO CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609538472 469937256 /nfs/dbraw/zinc/93/72/56/469937256.db2.gz STXFNINITLSZBJ-QZTJIDSGSA-N 1 2 336.524 2.483 20 30 EEEDLO CC#CC[NH2+]Cc1cn(CC(=O)c2cc(C)n(C3CC3)c2C)nn1 ZINC000640842987 471061741 /nfs/dbraw/zinc/06/17/41/471061741.db2.gz XVIIFIRMSRDLJN-UHFFFAOYSA-N 1 2 325.416 2.027 20 30 EEEDLO C=CCn1cc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)nn1 ZINC000648274426 471147166 /nfs/dbraw/zinc/14/71/66/471147166.db2.gz BJORFNBHCQTLJV-CQSZACIVSA-N 1 2 341.415 2.110 20 30 EEEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000658523100 471316773 /nfs/dbraw/zinc/31/67/73/471316773.db2.gz FNEBNCVZZGWKBO-CABCVRRESA-N 1 2 330.432 2.278 20 30 EEEDLO C=CCCNC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000665946542 472246656 /nfs/dbraw/zinc/24/66/56/472246656.db2.gz OTLXCODELCVBRU-UHFFFAOYSA-N 1 2 333.432 2.107 20 30 EEEDLO CC(=O)c1cc2c(cc1OC[C@H](O)C[N@H+](C)CCC#N)CCCC2 ZINC000666142318 472322409 /nfs/dbraw/zinc/32/24/09/472322409.db2.gz DLNYWAVTBIGWRD-QGZVFWFLSA-N 1 2 330.428 2.353 20 30 EEEDLO CC(=O)c1cc2c(cc1OC[C@H](O)C[N@@H+](C)CCC#N)CCCC2 ZINC000666142318 472322412 /nfs/dbraw/zinc/32/24/12/472322412.db2.gz DLNYWAVTBIGWRD-QGZVFWFLSA-N 1 2 330.428 2.353 20 30 EEEDLO COc1ccccc1C[NH+]1CCN(C(=O)c2cc(C#N)[nH]c2C)CC1 ZINC000448894473 485719545 /nfs/dbraw/zinc/71/95/45/485719545.db2.gz AMVIJJZAYJLFIT-UHFFFAOYSA-N 1 2 338.411 2.161 20 30 EEEDLO CCC#C[C@H](C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000677479904 486441145 /nfs/dbraw/zinc/44/11/45/486441145.db2.gz QTFOAVWAXLBDAM-HOCLYGCPSA-N 1 2 338.448 2.370 20 30 EEEDLO CCC#C[C@H](C)[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000677479904 486441149 /nfs/dbraw/zinc/44/11/49/486441149.db2.gz QTFOAVWAXLBDAM-HOCLYGCPSA-N 1 2 338.448 2.370 20 30 EEEDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093049707 529195155 /nfs/dbraw/zinc/19/51/55/529195155.db2.gz NZWQNHXHYMLPBP-KRWDZBQOSA-N 1 2 337.427 2.174 20 30 EEEDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093049707 529195157 /nfs/dbraw/zinc/19/51/57/529195157.db2.gz NZWQNHXHYMLPBP-KRWDZBQOSA-N 1 2 337.427 2.174 20 30 EEEDLO CC[C@@H](C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1)[NH+](CC)CC ZINC000741032095 577019702 /nfs/dbraw/zinc/01/97/02/577019702.db2.gz ACXXZCLTCNSMBR-STQMWFEESA-N 1 2 337.445 2.291 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C ZINC000732064914 577145372 /nfs/dbraw/zinc/14/53/72/577145372.db2.gz JPZKOEHCBQEDBI-SFHVURJKSA-N 1 2 341.455 2.417 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C ZINC000732064914 577145374 /nfs/dbraw/zinc/14/53/74/577145374.db2.gz JPZKOEHCBQEDBI-SFHVURJKSA-N 1 2 341.455 2.417 20 30 EEEDLO C=CC1CC[NH+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000732205936 577156685 /nfs/dbraw/zinc/15/66/85/577156685.db2.gz JMHSVATYNFDCSC-HNNXBMFYSA-N 1 2 336.395 2.410 20 30 EEEDLO C#C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCO2)[C@H]1CCCO1 ZINC000775342684 577435448 /nfs/dbraw/zinc/43/54/48/577435448.db2.gz SLJKOZNZNFBBLF-CHWSQXEVSA-N 1 2 338.201 2.448 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000775856478 577447292 /nfs/dbraw/zinc/44/72/92/577447292.db2.gz VVGCWBMAONTBCZ-XHDPSFHLSA-N 1 2 347.381 2.273 20 30 EEEDLO CCOC1CC(C/N=C/c2c(O)cccc2OC)([NH+]2CCOCC2)C1 ZINC000766283993 577516580 /nfs/dbraw/zinc/51/65/80/577516580.db2.gz QKIRTTHAMPUTCF-DEDYPNTBSA-N 1 2 348.443 2.090 20 30 EEEDLO CON=Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000769771312 577584040 /nfs/dbraw/zinc/58/40/40/577584040.db2.gz JBDULSKELSNIKY-MRXNPFEDSA-N 1 2 326.400 2.420 20 30 EEEDLO COC(=O)[C@H](COC(C)C)[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000770356820 577594570 /nfs/dbraw/zinc/59/45/70/577594570.db2.gz ZQAHZCLBKOAHDH-YOEHRIQHSA-N 1 2 334.416 2.376 20 30 EEEDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000770356820 577594571 /nfs/dbraw/zinc/59/45/71/577594571.db2.gz ZQAHZCLBKOAHDH-YOEHRIQHSA-N 1 2 334.416 2.376 20 30 EEEDLO COC(=O)c1cccc(OCC(N)=[NH+]OCc2cccc(C#N)c2)c1 ZINC000770693923 577601908 /nfs/dbraw/zinc/60/19/08/577601908.db2.gz ZXYOFYCIKPOABX-UHFFFAOYSA-N 1 2 339.351 2.422 20 30 EEEDLO COC[C@H](C)NC(=S)N[NH+]=C(C)c1ccc(F)cc1N(C)C ZINC000759185664 577638706 /nfs/dbraw/zinc/63/87/06/577638706.db2.gz QYCKXTAZQUDLHC-JTQLQIEISA-N 1 2 326.441 2.115 20 30 EEEDLO C#C[C@@H](CC)NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000753261850 577784096 /nfs/dbraw/zinc/78/40/96/577784096.db2.gz RLDLTZGRZMNKMB-HNNXBMFYSA-N 1 2 328.460 2.432 20 30 EEEDLO C#C[C@@H](CC)NC(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000753261850 577784097 /nfs/dbraw/zinc/78/40/97/577784097.db2.gz RLDLTZGRZMNKMB-HNNXBMFYSA-N 1 2 328.460 2.432 20 30 EEEDLO CCOC(=O)C(F)(F)[C@@H]1CCC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)C1 ZINC000753935935 577796665 /nfs/dbraw/zinc/79/66/65/577796665.db2.gz PXXFVHIUZXZHHW-RAIGVLPGSA-N 1 2 342.390 2.201 20 30 EEEDLO Clc1nccnc1N=NCc1c(-n2cc[nH+]c2)nc2ccccn21 ZINC000755716538 577829812 /nfs/dbraw/zinc/82/98/12/577829812.db2.gz GBWFKIYGFMIJOP-UHFFFAOYSA-N 1 2 338.762 2.409 20 30 EEEDLO C(=[NH+]Nc1cnnc2ccccc21)c1cnc(N2CCOCC2)s1 ZINC000755733042 577830119 /nfs/dbraw/zinc/83/01/19/577830119.db2.gz BXVPHYCSGLUKBW-UHFFFAOYSA-N 1 2 340.412 2.369 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)C(C)(C)Oc2ccc(OCC)cc2)CC1 ZINC000744422287 577897436 /nfs/dbraw/zinc/89/74/36/577897436.db2.gz LOOWRXPCRIYKCA-UHFFFAOYSA-N 1 2 330.428 2.020 20 30 EEEDLO C=CCCCC(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000748228449 577957875 /nfs/dbraw/zinc/95/78/75/577957875.db2.gz YOOIZWCLLHFJKO-UHFFFAOYSA-N 1 2 346.427 2.357 20 30 EEEDLO C[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000741148197 578113763 /nfs/dbraw/zinc/11/37/63/578113763.db2.gz YPOFNOIASKRPIF-WBVHZDCISA-N 1 2 343.427 2.349 20 30 EEEDLO C[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000741148197 578113764 /nfs/dbraw/zinc/11/37/64/578113764.db2.gz YPOFNOIASKRPIF-WBVHZDCISA-N 1 2 343.427 2.349 20 30 EEEDLO CC(C)OCC[NH+]1CCC([NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000827027364 601306610 /nfs/dbraw/zinc/30/66/10/601306610.db2.gz JAQGIYQOGMTJPV-SFHVURJKSA-N 1 2 345.443 2.163 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1nn(CC)nc1C ZINC000969168078 674654411 /nfs/dbraw/zinc/65/44/11/674654411.db2.gz WCNYVLXVVRRKJE-AWEZNQCLSA-N 1 2 339.871 2.333 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1nn(CC)nc1C ZINC000969168078 674654413 /nfs/dbraw/zinc/65/44/13/674654413.db2.gz WCNYVLXVVRRKJE-AWEZNQCLSA-N 1 2 339.871 2.333 20 30 EEEDLO C[C@H](NC(=O)[C@H]1CCCO1)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000969257551 674759771 /nfs/dbraw/zinc/75/97/71/674759771.db2.gz AGQWPYARBBRQAS-KBXCAEBGSA-N 1 2 346.858 2.307 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC000969464240 675059706 /nfs/dbraw/zinc/05/97/06/675059706.db2.gz JUEQUDBBSWLVQS-IYBDPMFKSA-N 1 2 344.459 2.077 20 30 EEEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](Cc2nc3ccccc3o2)C1 ZINC000969514244 675085364 /nfs/dbraw/zinc/08/53/64/675085364.db2.gz LZGKIGPNBZBSFF-GFCCVEGCSA-N 1 2 349.394 2.278 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3csnn3)C2)cc1 ZINC000969546080 675100697 /nfs/dbraw/zinc/10/06/97/675100697.db2.gz OSBKSSYXEORJBR-SWLSCSKDSA-N 1 2 326.425 2.085 20 30 EEEDLO C=C(Cl)CN1CC([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000969674809 675160823 /nfs/dbraw/zinc/16/08/23/675160823.db2.gz QJYIXCMLVXUEEZ-CYBMUJFWSA-N 1 2 332.835 2.445 20 30 EEEDLO Cc1nscc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001010685204 675955437 /nfs/dbraw/zinc/95/54/37/675955437.db2.gz YKNTYLDUNFAWIE-NSHDSACASA-N 1 2 332.454 2.389 20 30 EEEDLO Cc1nscc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001010685204 675955438 /nfs/dbraw/zinc/95/54/38/675955438.db2.gz YKNTYLDUNFAWIE-NSHDSACASA-N 1 2 332.454 2.389 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2sc(N(C)C)nc2C)C1 ZINC000970531522 675964675 /nfs/dbraw/zinc/96/46/75/675964675.db2.gz IBTOYJINSRDTGZ-SNVBAGLBSA-N 1 2 342.896 2.320 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H](C)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000970669897 676063997 /nfs/dbraw/zinc/06/39/97/676063997.db2.gz FTOQWJHOODZGCJ-CQSZACIVSA-N 1 2 341.386 2.224 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc([C@H]4C[C@H]4C)o3)CC2)C1 ZINC000949362300 676075093 /nfs/dbraw/zinc/07/50/93/676075093.db2.gz IRORSOKKVCXGAQ-CVEARBPZSA-N 1 2 342.439 2.343 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc([C@H]4C[C@H]4C)o3)CC2)C1 ZINC000949362300 676075098 /nfs/dbraw/zinc/07/50/98/676075098.db2.gz IRORSOKKVCXGAQ-CVEARBPZSA-N 1 2 342.439 2.343 20 30 EEEDLO C[C@H](NC(=O)c1ccns1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969771419 675199032 /nfs/dbraw/zinc/19/90/32/675199032.db2.gz BNAKTINRLJYTJR-NSHDSACASA-N 1 2 344.415 2.404 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)cn2)C1 ZINC000969999215 675373874 /nfs/dbraw/zinc/37/38/74/675373874.db2.gz XHOPBSANPMJKKD-GFCCVEGCSA-N 1 2 345.834 2.274 20 30 EEEDLO Cc1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3cc(F)ccc3C#N)C2)on1 ZINC000971067518 676351190 /nfs/dbraw/zinc/35/11/90/676351190.db2.gz HUASFMIWNFYDJP-INIZCTEOSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3cc(F)ccc3C#N)C2)on1 ZINC000971067518 676351191 /nfs/dbraw/zinc/35/11/91/676351191.db2.gz HUASFMIWNFYDJP-INIZCTEOSA-N 1 2 342.374 2.340 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)/C=C\c2ccc[nH]2)C1 ZINC000971411311 676535995 /nfs/dbraw/zinc/53/59/95/676535995.db2.gz SLXRCQFNNKTADH-GXMNPTEKSA-N 1 2 338.249 2.469 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)/C=C\c2ccc[nH]2)C1 ZINC000971411311 676535996 /nfs/dbraw/zinc/53/59/96/676535996.db2.gz SLXRCQFNNKTADH-GXMNPTEKSA-N 1 2 338.249 2.469 20 30 EEEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971575030 676629447 /nfs/dbraw/zinc/62/94/47/676629447.db2.gz AQCPKOBZBBNQRM-ZIAGYGMSSA-N 1 2 343.324 2.491 20 30 EEEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971575030 676629448 /nfs/dbraw/zinc/62/94/48/676629448.db2.gz AQCPKOBZBBNQRM-ZIAGYGMSSA-N 1 2 343.324 2.491 20 30 EEEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000971575030 676629450 /nfs/dbraw/zinc/62/94/50/676629450.db2.gz AQCPKOBZBBNQRM-ZIAGYGMSSA-N 1 2 343.324 2.491 20 30 EEEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000971575030 676629451 /nfs/dbraw/zinc/62/94/51/676629451.db2.gz AQCPKOBZBBNQRM-ZIAGYGMSSA-N 1 2 343.324 2.491 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc4ccsc4c3)C2)C1 ZINC000972494147 678916809 /nfs/dbraw/zinc/91/68/09/678916809.db2.gz OHTDHSHFIGSHAE-GOSISDBHSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4ccsc4c3)C2)C1 ZINC000972494147 678916811 /nfs/dbraw/zinc/91/68/11/678916811.db2.gz OHTDHSHFIGSHAE-GOSISDBHSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)c3c(C)noc3C)C2)C1 ZINC000972515557 679134289 /nfs/dbraw/zinc/13/42/89/679134289.db2.gz YJOCWGROZYUCLO-LJQANCHMSA-N 1 2 347.459 2.058 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)c3c(C)noc3C)C2)C1 ZINC000972515557 679134291 /nfs/dbraw/zinc/13/42/91/679134291.db2.gz YJOCWGROZYUCLO-LJQANCHMSA-N 1 2 347.459 2.058 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4ncccc4c3)C2)C1 ZINC000972535515 679204153 /nfs/dbraw/zinc/20/41/53/679204153.db2.gz VKTFXLJFOGEUMV-HXUWFJFHSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4ncccc4c3)C2)C1 ZINC000972535515 679204154 /nfs/dbraw/zinc/20/41/54/679204154.db2.gz VKTFXLJFOGEUMV-HXUWFJFHSA-N 1 2 337.423 2.338 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccsc3)C2)C1 ZINC000972550461 679255111 /nfs/dbraw/zinc/25/51/11/679255111.db2.gz XHJHJNSCGAUAEX-YJBOKZPZSA-N 1 2 332.469 2.178 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccsc3)C2)C1 ZINC000972550461 679255113 /nfs/dbraw/zinc/25/51/13/679255113.db2.gz XHJHJNSCGAUAEX-YJBOKZPZSA-N 1 2 332.469 2.178 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC(F)(F)C3)C2)C1 ZINC000972550556 679258476 /nfs/dbraw/zinc/25/84/76/679258476.db2.gz YHPWOXJWTCCPLR-HOCLYGCPSA-N 1 2 328.403 2.301 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC(F)(F)C3)C2)C1 ZINC000972550556 679258477 /nfs/dbraw/zinc/25/84/77/679258477.db2.gz YHPWOXJWTCCPLR-HOCLYGCPSA-N 1 2 328.403 2.301 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4cc[nH]c43)C2)C1 ZINC000972563081 679298845 /nfs/dbraw/zinc/29/88/45/679298845.db2.gz LBEMFDSRHLMQNY-IBGZPJMESA-N 1 2 325.412 2.271 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4cc[nH]c43)C2)C1 ZINC000972563081 679298846 /nfs/dbraw/zinc/29/88/46/679298846.db2.gz LBEMFDSRHLMQNY-IBGZPJMESA-N 1 2 325.412 2.271 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+](Cc3nnc(C)o3)C2)CC1 ZINC001023572403 679386039 /nfs/dbraw/zinc/38/60/39/679386039.db2.gz BSNPNUNCPLNKQP-HNNXBMFYSA-N 1 2 332.448 2.453 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+](Cc3nnc(C)o3)C2)CC1 ZINC001023572403 679386041 /nfs/dbraw/zinc/38/60/41/679386041.db2.gz BSNPNUNCPLNKQP-HNNXBMFYSA-N 1 2 332.448 2.453 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCOc4ccccc43)C2)C1 ZINC000972597105 679396535 /nfs/dbraw/zinc/39/65/35/679396535.db2.gz SCQKOYJTNULNCN-XLIONFOSSA-N 1 2 342.439 2.042 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCOc4ccccc43)C2)C1 ZINC000972597105 679396536 /nfs/dbraw/zinc/39/65/36/679396536.db2.gz SCQKOYJTNULNCN-XLIONFOSSA-N 1 2 342.439 2.042 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](F)CC3CCCCC3)C2)C1 ZINC000972639162 679479547 /nfs/dbraw/zinc/47/95/47/679479547.db2.gz PXHIUEULSDUDQT-PKOBYXMFSA-N 1 2 336.451 2.231 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](F)CC3CCCCC3)C2)C1 ZINC000972639162 679479548 /nfs/dbraw/zinc/47/95/48/679479548.db2.gz PXHIUEULSDUDQT-PKOBYXMFSA-N 1 2 336.451 2.231 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC4(CCC4)CO3)C2)C1 ZINC000972643492 679497328 /nfs/dbraw/zinc/49/73/28/679497328.db2.gz QKVQCAWDRUNCTN-YLJYHZDGSA-N 1 2 348.487 2.215 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC4(CCC4)CO3)C2)C1 ZINC000972643492 679497329 /nfs/dbraw/zinc/49/73/29/679497329.db2.gz QKVQCAWDRUNCTN-YLJYHZDGSA-N 1 2 348.487 2.215 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)c3ccc(F)cc3)C2)C1 ZINC000972643996 679498995 /nfs/dbraw/zinc/49/89/95/679498995.db2.gz VMMKEYDDIMJVMZ-FQEVSTJZSA-N 1 2 344.430 2.040 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)c3ccc(F)cc3)C2)C1 ZINC000972643996 679498996 /nfs/dbraw/zinc/49/89/96/679498996.db2.gz VMMKEYDDIMJVMZ-FQEVSTJZSA-N 1 2 344.430 2.040 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccccc3Cl)C2)C1 ZINC000972651267 679510505 /nfs/dbraw/zinc/51/05/05/679510505.db2.gz SYGVZMCPKLOIJG-SFHVURJKSA-N 1 2 332.831 2.280 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccccc3Cl)C2)C1 ZINC000972651267 679510507 /nfs/dbraw/zinc/51/05/07/679510507.db2.gz SYGVZMCPKLOIJG-SFHVURJKSA-N 1 2 332.831 2.280 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(c4ccccc4)CC3)C2)C1 ZINC000972663004 679531823 /nfs/dbraw/zinc/53/18/23/679531823.db2.gz XOOHCIZISFCUCR-HXUWFJFHSA-N 1 2 338.451 2.045 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(c4ccccc4)CC3)C2)C1 ZINC000972663004 679531829 /nfs/dbraw/zinc/53/18/29/679531829.db2.gz XOOHCIZISFCUCR-HXUWFJFHSA-N 1 2 338.451 2.045 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)COc3c(C)cccc3C)C2)C1 ZINC000972667297 679551141 /nfs/dbraw/zinc/55/11/41/679551141.db2.gz NCNHBEXRWYOIKE-FQEVSTJZSA-N 1 2 344.455 2.172 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)COc3c(C)cccc3C)C2)C1 ZINC000972667297 679551146 /nfs/dbraw/zinc/55/11/46/679551146.db2.gz NCNHBEXRWYOIKE-FQEVSTJZSA-N 1 2 344.455 2.172 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cccc(OCC)c3)C2)C1 ZINC000972693498 679617768 /nfs/dbraw/zinc/61/77/68/679617768.db2.gz DTKOHMJKYHRYSO-HXUWFJFHSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cccc(OCC)c3)C2)C1 ZINC000972693498 679617773 /nfs/dbraw/zinc/61/77/73/679617773.db2.gz DTKOHMJKYHRYSO-HXUWFJFHSA-N 1 2 344.455 2.117 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1NC(=O)c1cocn1 ZINC000972859084 679821712 /nfs/dbraw/zinc/82/17/12/679821712.db2.gz FHRSGGJAIJPMRU-INIZCTEOSA-N 1 2 342.374 2.326 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1NC(=O)c1cocn1 ZINC000972859084 679821714 /nfs/dbraw/zinc/82/17/14/679821714.db2.gz FHRSGGJAIJPMRU-INIZCTEOSA-N 1 2 342.374 2.326 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1nn(C)cc1Cl ZINC001024456297 679917761 /nfs/dbraw/zinc/91/77/61/679917761.db2.gz VEMVYWVZCYNPEW-NSHDSACASA-N 1 2 331.247 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1nn(C)cc1Cl ZINC001024456297 679917767 /nfs/dbraw/zinc/91/77/67/679917767.db2.gz VEMVYWVZCYNPEW-NSHDSACASA-N 1 2 331.247 2.410 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2n[nH]cc2F)s1 ZINC001024635399 681299859 /nfs/dbraw/zinc/29/98/59/681299859.db2.gz ALKCPQLHWIVLCZ-NSHDSACASA-N 1 2 347.419 2.266 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2n[nH]cc2F)s1 ZINC001024635399 681299864 /nfs/dbraw/zinc/29/98/64/681299864.db2.gz ALKCPQLHWIVLCZ-NSHDSACASA-N 1 2 347.419 2.266 20 30 EEEDLO C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000982826473 681339276 /nfs/dbraw/zinc/33/92/76/681339276.db2.gz NIVAQZGOPJKFEG-WMLDXEAASA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000982826473 681339279 /nfs/dbraw/zinc/33/92/79/681339279.db2.gz NIVAQZGOPJKFEG-WMLDXEAASA-N 1 2 345.418 2.157 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nocc1C ZINC001024702445 681357662 /nfs/dbraw/zinc/35/76/62/681357662.db2.gz UXJWBANQPYYYGC-BQFCYCMXSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1nocc1C ZINC001024702445 681357666 /nfs/dbraw/zinc/35/76/66/681357666.db2.gz UXJWBANQPYYYGC-BQFCYCMXSA-N 1 2 347.459 2.435 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccns2)nc1 ZINC001024764150 681424992 /nfs/dbraw/zinc/42/49/92/681424992.db2.gz OIJVJUSZIBWSOO-HNNXBMFYSA-N 1 2 340.452 2.304 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccns2)nc1 ZINC001024764150 681424997 /nfs/dbraw/zinc/42/49/97/681424997.db2.gz OIJVJUSZIBWSOO-HNNXBMFYSA-N 1 2 340.452 2.304 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc2nnn(C)c21 ZINC001024836109 681480934 /nfs/dbraw/zinc/48/09/34/681480934.db2.gz UFNLGFCVQBZHHO-CYBMUJFWSA-N 1 2 347.850 2.305 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc2nnn(C)c21 ZINC001024836109 681480939 /nfs/dbraw/zinc/48/09/39/681480939.db2.gz UFNLGFCVQBZHHO-CYBMUJFWSA-N 1 2 347.850 2.305 20 30 EEEDLO CC(C)c1nnc(C[NH2+]C[C@H]2CCCCN2C(=O)C#CC2CC2)o1 ZINC001024960030 681642147 /nfs/dbraw/zinc/64/21/47/681642147.db2.gz MQDZTKFCCUIGAC-OAHLLOKOSA-N 1 2 330.432 2.077 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@@H]2CCN(c3ccc(C#N)cn3)C2)c(C)[nH+]1 ZINC001058614522 682064327 /nfs/dbraw/zinc/06/43/27/682064327.db2.gz NSYYBTJDZYBRRY-MRXNPFEDSA-N 1 2 335.411 2.282 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3nnc(C4CC4)[nH]3)C2)CC1 ZINC001028780299 682210936 /nfs/dbraw/zinc/21/09/36/682210936.db2.gz GHLDPFMWFAMTGA-CQSZACIVSA-N 1 2 343.475 2.367 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)[nH]3)C2)CC1 ZINC001028780299 682210939 /nfs/dbraw/zinc/21/09/39/682210939.db2.gz GHLDPFMWFAMTGA-CQSZACIVSA-N 1 2 343.475 2.367 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cccc2nn[nH]c21 ZINC001025232377 682267156 /nfs/dbraw/zinc/26/71/56/682267156.db2.gz LUOMMAHCTIOFBC-DLBZAZTESA-N 1 2 337.427 2.050 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cccc2nn[nH]c21 ZINC001025232377 682267158 /nfs/dbraw/zinc/26/71/58/682267158.db2.gz LUOMMAHCTIOFBC-DLBZAZTESA-N 1 2 337.427 2.050 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1nncn1C ZINC001025258117 682336554 /nfs/dbraw/zinc/33/65/54/682336554.db2.gz IPHFXHLXPWGCRX-JKSUJKDBSA-N 1 2 345.491 2.373 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1nncn1C ZINC001025258117 682336558 /nfs/dbraw/zinc/33/65/58/682336558.db2.gz IPHFXHLXPWGCRX-JKSUJKDBSA-N 1 2 345.491 2.373 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001029008043 682662234 /nfs/dbraw/zinc/66/22/34/682662234.db2.gz RFNYVLXLENZAPT-CYBMUJFWSA-N 1 2 345.834 2.276 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001029008043 682662237 /nfs/dbraw/zinc/66/22/37/682662237.db2.gz RFNYVLXLENZAPT-CYBMUJFWSA-N 1 2 345.834 2.276 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](Cc3ncnn3C)C2)CC1 ZINC001025524081 682951182 /nfs/dbraw/zinc/95/11/82/682951182.db2.gz RVGDBACEXKXUAP-DOTOQJQBSA-N 1 2 345.491 2.278 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](Cc3ncnn3C)C2)CC1 ZINC001025524081 682951184 /nfs/dbraw/zinc/95/11/84/682951184.db2.gz RVGDBACEXKXUAP-DOTOQJQBSA-N 1 2 345.491 2.278 20 30 EEEDLO N#Cc1cc(N2CC[NH+](CCc3ccncc3)CC2)c([N+](=O)[O-])s1 ZINC000894846904 683189348 /nfs/dbraw/zinc/18/93/48/683189348.db2.gz VPVWRFSKRJWYDF-UHFFFAOYSA-N 1 2 343.412 2.288 20 30 EEEDLO Cn1cccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029215188 683556604 /nfs/dbraw/zinc/55/66/04/683556604.db2.gz BPHDBFFFSOZDKR-HDICACEKSA-N 1 2 334.423 2.386 20 30 EEEDLO Cn1cccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029215188 683556607 /nfs/dbraw/zinc/55/66/07/683556607.db2.gz BPHDBFFFSOZDKR-HDICACEKSA-N 1 2 334.423 2.386 20 30 EEEDLO CO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001029229183 683617245 /nfs/dbraw/zinc/61/72/45/683617245.db2.gz MKWFKOQGALTGJX-JCGIZDLHSA-N 1 2 346.858 2.402 20 30 EEEDLO CO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001029229183 683617248 /nfs/dbraw/zinc/61/72/48/683617248.db2.gz MKWFKOQGALTGJX-JCGIZDLHSA-N 1 2 346.858 2.402 20 30 EEEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001029244199 683675340 /nfs/dbraw/zinc/67/53/40/683675340.db2.gz BKURIDUEPKTBTI-WQVCFCJDSA-N 1 2 326.375 2.032 20 30 EEEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001029244199 683675341 /nfs/dbraw/zinc/67/53/41/683675341.db2.gz BKURIDUEPKTBTI-WQVCFCJDSA-N 1 2 326.375 2.032 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001031087889 683712141 /nfs/dbraw/zinc/71/21/41/683712141.db2.gz BKYLZRPXFMRNBC-PMACEKPBSA-N 1 2 340.467 2.457 20 30 EEEDLO O=C(c1cc[nH]c(=O)c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029268761 683752205 /nfs/dbraw/zinc/75/22/05/683752205.db2.gz SOMXAGZRGSQPIU-KDURUIRLSA-N 1 2 347.418 2.128 20 30 EEEDLO O=C(c1cc[nH]c(=O)c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029268761 683752208 /nfs/dbraw/zinc/75/22/08/683752208.db2.gz SOMXAGZRGSQPIU-KDURUIRLSA-N 1 2 347.418 2.128 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cocn2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993109666 683933926 /nfs/dbraw/zinc/93/39/26/683933926.db2.gz QELYLNOHGWRGSV-RISCZKNCSA-N 1 2 330.413 2.391 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cocn2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993109666 683933929 /nfs/dbraw/zinc/93/39/29/683933929.db2.gz QELYLNOHGWRGSV-RISCZKNCSA-N 1 2 330.413 2.391 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cn(C)cn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993193862 684066690 /nfs/dbraw/zinc/06/66/90/684066690.db2.gz BTZWQGCYQZWFPD-PBHICJAKSA-N 1 2 337.427 2.075 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cn(C)cn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993193862 684066695 /nfs/dbraw/zinc/06/66/95/684066695.db2.gz BTZWQGCYQZWFPD-PBHICJAKSA-N 1 2 337.427 2.075 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccnc(OC)c1 ZINC001029423368 684484088 /nfs/dbraw/zinc/48/40/88/684484088.db2.gz YJLAPGBTJDHTNM-IYBDPMFKSA-N 1 2 329.444 2.478 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccnc(OC)c1 ZINC001029423368 684484089 /nfs/dbraw/zinc/48/40/89/684484089.db2.gz YJLAPGBTJDHTNM-IYBDPMFKSA-N 1 2 329.444 2.478 20 30 EEEDLO N#C[C@H]1CCCN(Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000896501918 685005707 /nfs/dbraw/zinc/00/57/07/685005707.db2.gz UDOXCDHENWRWTL-GOSISDBHSA-N 1 2 329.444 2.133 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2ncccc2F)C(C)(C)C1 ZINC000974964487 685818957 /nfs/dbraw/zinc/81/89/57/685818957.db2.gz MDPLGXIUXONDON-CQSZACIVSA-N 1 2 325.815 2.342 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2ncccc2F)C(C)(C)C1 ZINC000974964487 685818962 /nfs/dbraw/zinc/81/89/62/685818962.db2.gz MDPLGXIUXONDON-CQSZACIVSA-N 1 2 325.815 2.342 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3ccnc(OC)n3)CC2(C)C)C1 ZINC000975015265 686052169 /nfs/dbraw/zinc/05/21/69/686052169.db2.gz LQEXGFCZTMXUDK-HNNXBMFYSA-N 1 2 344.459 2.168 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3ccnc(OC)n3)CC2(C)C)C1 ZINC000975015265 686052176 /nfs/dbraw/zinc/05/21/76/686052176.db2.gz LQEXGFCZTMXUDK-HNNXBMFYSA-N 1 2 344.459 2.168 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2Cc3ccncc3C2)C(C)(C)C1 ZINC000975039413 686062212 /nfs/dbraw/zinc/06/22/12/686062212.db2.gz PKDXBSZYQISJPS-GDBMZVCRSA-N 1 2 333.863 2.376 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2Cc3ccncc3C2)C(C)(C)C1 ZINC000975039413 686062220 /nfs/dbraw/zinc/06/22/20/686062220.db2.gz PKDXBSZYQISJPS-GDBMZVCRSA-N 1 2 333.863 2.376 20 30 EEEDLO C[C@H](c1csnn1)[N@H+](C)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000985380802 686450740 /nfs/dbraw/zinc/45/07/40/686450740.db2.gz PAKYBFVHOBPWRV-LLVKDONJSA-N 1 2 344.444 2.035 20 30 EEEDLO C[C@H](c1csnn1)[N@@H+](C)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000985380802 686450745 /nfs/dbraw/zinc/45/07/45/686450745.db2.gz 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C=C(C)CCC(=O)NCC[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001059717722 688584337 /nfs/dbraw/zinc/58/43/37/688584337.db2.gz FYDJFLYXYFULPF-CVEARBPZSA-N 1 2 346.475 2.299 20 30 EEEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC001027738499 694243020 /nfs/dbraw/zinc/24/30/20/694243020.db2.gz YDUAAOKZUYIFQB-WMZOPIPTSA-N 1 2 346.858 2.451 20 30 EEEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC001027738499 694243021 /nfs/dbraw/zinc/24/30/21/694243021.db2.gz YDUAAOKZUYIFQB-WMZOPIPTSA-N 1 2 346.858 2.451 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCOC1 ZINC001027779303 694445833 /nfs/dbraw/zinc/44/58/33/694445833.db2.gz VVCBVCDKHAJXAH-YJBOKZPZSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCOC1 ZINC001027779303 694445844 /nfs/dbraw/zinc/44/58/44/694445844.db2.gz VVCBVCDKHAJXAH-YJBOKZPZSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 ZINC000989439077 691762482 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/nfs/dbraw/zinc/70/56/76/1178705676.db2.gz FRSSNFWDUVJDOY-UHFFFAOYSA-N 1 2 329.404 2.250 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC001481009991 1179483653 /nfs/dbraw/zinc/48/36/53/1179483653.db2.gz QYHFHNHKXNDJRT-UHFFFAOYSA-N 1 2 333.823 2.276 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC001481009991 1179483657 /nfs/dbraw/zinc/48/36/57/1179483657.db2.gz QYHFHNHKXNDJRT-UHFFFAOYSA-N 1 2 333.823 2.276 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2ccon2)C[C@H]1C ZINC000944315868 1192998702 /nfs/dbraw/zinc/99/87/02/1192998702.db2.gz CLPJHENAZAUCAD-BEFAXECRSA-N 1 2 337.423 2.225 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2ccon2)C[C@H]1C ZINC000944315868 1192998704 /nfs/dbraw/zinc/99/87/04/1192998704.db2.gz CLPJHENAZAUCAD-BEFAXECRSA-N 1 2 337.423 2.225 20 30 EEEDLO Cc1nc([C@@H](C)[N@@H+](C)C[C@H]2CCCN(C(=O)C#CC(C)C)C2)no1 ZINC001752506936 1181913801 /nfs/dbraw/zinc/91/38/01/1181913801.db2.gz ZBYPPIFQFUOYCD-GDBMZVCRSA-N 1 2 332.448 2.269 20 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N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2cn3ccccc3n2)C1=O ZINC001272843222 1193573033 /nfs/dbraw/zinc/57/30/33/1193573033.db2.gz IUBOZOMCQLHKFB-LJQANCHMSA-N 1 2 337.427 2.205 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccn(CC)n4)C[C@H]32)cc1 ZINC001076119232 1188722530 /nfs/dbraw/zinc/72/25/30/1188722530.db2.gz GADRHTSUTSDEDC-AZUAARDMSA-N 1 2 348.450 2.231 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccn(CC)n4)C[C@H]32)cc1 ZINC001076119232 1188722533 /nfs/dbraw/zinc/72/25/33/1188722533.db2.gz GADRHTSUTSDEDC-AZUAARDMSA-N 1 2 348.450 2.231 20 30 EEEDLO O=C(CC1CCC1)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001076838720 1189189433 /nfs/dbraw/zinc/18/94/33/1189189433.db2.gz JUMWEYPWLFQNCU-QZTJIDSGSA-N 1 2 346.858 2.043 20 30 EEEDLO O=C(CC1CCC1)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC001076838720 1189189435 /nfs/dbraw/zinc/18/94/35/1189189435.db2.gz JUMWEYPWLFQNCU-QZTJIDSGSA-N 1 2 346.858 2.043 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001077139348 1189349942 /nfs/dbraw/zinc/34/99/42/1189349942.db2.gz JFEFWPOBWCSYBF-NUEKZKHPSA-N 1 2 344.459 2.293 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001077139348 1189349947 /nfs/dbraw/zinc/34/99/47/1189349947.db2.gz JFEFWPOBWCSYBF-NUEKZKHPSA-N 1 2 344.459 2.293 20 30 EEEDLO Cn1cc(CN2CCC23C[NH+](Cc2cccc4nc[nH]c42)C3)cc1C#N ZINC001279110114 1190838172 /nfs/dbraw/zinc/83/81/72/1190838172.db2.gz PKFXYNOYZQXGAZ-UHFFFAOYSA-N 1 2 346.438 2.233 20 30 EEEDLO N#CCCCN1C[C@@]2(CC[N@@H+](Cc3cc(F)ccc3F)C2)OCC1=O ZINC001272976119 1194284396 /nfs/dbraw/zinc/28/43/96/1194284396.db2.gz SEKVDLYTIFGKHF-SFHVURJKSA-N 1 2 349.381 2.072 20 30 EEEDLO N#CCCCN1C[C@@]2(CC[N@H+](Cc3cc(F)ccc3F)C2)OCC1=O ZINC001272976119 1194284399 /nfs/dbraw/zinc/28/43/99/1194284399.db2.gz SEKVDLYTIFGKHF-SFHVURJKSA-N 1 2 349.381 2.072 20 30 EEEDLO C=C(C)[C@@H]1CC=C(C[NH+]2CC3(C2)COCC(=O)N3CC(F)F)CC1 ZINC001273127012 1194409730 /nfs/dbraw/zinc/40/97/30/1194409730.db2.gz WSNDRUHEYUXUPN-OAHLLOKOSA-N 1 2 340.414 2.467 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cccn3)cc2)C1 ZINC001014720934 1224231656 /nfs/dbraw/zinc/23/16/56/1224231656.db2.gz HEYNUKHIZFTMPF-OAHLLOKOSA-N 1 2 330.819 2.429 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cccn3)cc2)C1 ZINC001014720934 1224231658 /nfs/dbraw/zinc/23/16/58/1224231658.db2.gz HEYNUKHIZFTMPF-OAHLLOKOSA-N 1 2 330.819 2.429 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(NC(N)=O)cc2)C1 ZINC001033635232 1194982578 /nfs/dbraw/zinc/98/25/78/1194982578.db2.gz GQBXXUFFKHVQTP-CQSZACIVSA-N 1 2 336.823 2.076 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(NC(N)=O)cc2)C1 ZINC001033635232 1194982582 /nfs/dbraw/zinc/98/25/82/1194982582.db2.gz GQBXXUFFKHVQTP-CQSZACIVSA-N 1 2 336.823 2.076 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001033661892 1195048313 /nfs/dbraw/zinc/04/83/13/1195048313.db2.gz SRMQMOAKJKCYBM-ZDUSSCGKSA-N 1 2 346.818 2.234 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001033661892 1195048317 /nfs/dbraw/zinc/04/83/17/1195048317.db2.gz SRMQMOAKJKCYBM-ZDUSSCGKSA-N 1 2 346.818 2.234 20 30 EEEDLO CCN(C(=O)c1cnc(C)cn1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033740626 1195162896 /nfs/dbraw/zinc/16/28/96/1195162896.db2.gz XQSBIQDEPGSTGF-GOSISDBHSA-N 1 2 349.438 2.393 20 30 EEEDLO CCN(C(=O)c1cnc(C)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033740626 1195162898 /nfs/dbraw/zinc/16/28/98/1195162898.db2.gz XQSBIQDEPGSTGF-GOSISDBHSA-N 1 2 349.438 2.393 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCCO2)C1 ZINC001033792257 1195277944 /nfs/dbraw/zinc/27/79/44/1195277944.db2.gz OMEUYEYLWNJQGG-KGLIPLIRSA-N 1 2 345.281 2.387 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCCO2)C1 ZINC001033792257 1195277947 /nfs/dbraw/zinc/27/79/47/1195277947.db2.gz OMEUYEYLWNJQGG-KGLIPLIRSA-N 1 2 345.281 2.387 20 30 EEEDLO C[C@@H](c1ncccn1)[N@@H+]1CCCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001034158800 1195847682 /nfs/dbraw/zinc/84/76/82/1195847682.db2.gz CZGVVDVHFARZLL-ZFWWWQNUSA-N 1 2 338.415 2.022 20 30 EEEDLO C[C@@H](c1ncccn1)[N@H+]1CCCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001034158800 1195847687 /nfs/dbraw/zinc/84/76/87/1195847687.db2.gz CZGVVDVHFARZLL-ZFWWWQNUSA-N 1 2 338.415 2.022 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccon2)C1 ZINC001034212787 1195950959 /nfs/dbraw/zinc/95/09/59/1195950959.db2.gz MQJOFERLHWFAQS-UAGQMJEPSA-N 1 2 333.432 2.127 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccon2)C1 ZINC001034212787 1195950963 /nfs/dbraw/zinc/95/09/63/1195950963.db2.gz MQJOFERLHWFAQS-UAGQMJEPSA-N 1 2 333.432 2.127 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccon2)C1 ZINC001034247158 1195979727 /nfs/dbraw/zinc/97/97/27/1195979727.db2.gz KTVTYNYYMAOOPE-OAHLLOKOSA-N 1 2 328.416 2.447 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccon2)C1 ZINC001034247158 1195979731 /nfs/dbraw/zinc/97/97/31/1195979731.db2.gz KTVTYNYYMAOOPE-OAHLLOKOSA-N 1 2 328.416 2.447 20 30 EEEDLO CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2[nH]nc3c2C[C@@H](C)CC3)C1 ZINC001034467008 1196247232 /nfs/dbraw/zinc/24/72/32/1196247232.db2.gz GFDFPWCKHZANER-GJZGRUSLSA-N 1 2 328.460 2.142 20 30 EEEDLO CC#CC[N@H+]1CCCC[C@H](NC(=O)c2[nH]nc3c2C[C@@H](C)CC3)C1 ZINC001034467008 1196247236 /nfs/dbraw/zinc/24/72/36/1196247236.db2.gz GFDFPWCKHZANER-GJZGRUSLSA-N 1 2 328.460 2.142 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)[C@@H]1C ZINC001090238611 1196534174 /nfs/dbraw/zinc/53/41/74/1196534174.db2.gz BWCFABDYALUXCY-YDHLFZDLSA-N 1 2 346.479 2.250 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(C(F)F)CCCC2)C1 ZINC001108158674 1196726080 /nfs/dbraw/zinc/72/60/80/1196726080.db2.gz HSRIXRSPNXXETL-INIZCTEOSA-N 1 2 328.403 2.042 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(C(F)F)CCCC2)C1 ZINC001108158674 1196726084 /nfs/dbraw/zinc/72/60/84/1196726084.db2.gz HSRIXRSPNXXETL-INIZCTEOSA-N 1 2 328.403 2.042 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC)c1C1CC1 ZINC001018152655 1224399232 /nfs/dbraw/zinc/39/92/32/1224399232.db2.gz OQHIXPMHZBIUJE-IYBDPMFKSA-N 1 2 326.444 2.093 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC)c1C1CC1 ZINC001018152655 1224399238 /nfs/dbraw/zinc/39/92/38/1224399238.db2.gz OQHIXPMHZBIUJE-IYBDPMFKSA-N 1 2 326.444 2.093 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001095321164 1197890645 /nfs/dbraw/zinc/89/06/45/1197890645.db2.gz UYEOVORNGQSJBV-LSDHHAIUSA-N 1 2 346.479 2.251 20 30 EEEDLO C(=NNC[C@H]1CCSC1)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872375134 1198160721 /nfs/dbraw/zinc/16/07/21/1198160721.db2.gz SXKFYPSJXXUBSV-QGZVFWFLSA-N 1 2 349.500 2.074 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Oc1ccc(C)cc1 ZINC001018245850 1224521459 /nfs/dbraw/zinc/52/14/59/1224521459.db2.gz KYFBWCOIUBVIAG-OKZBNKHCSA-N 1 2 326.440 2.461 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Oc1ccc(C)cc1 ZINC001018245850 1224521462 /nfs/dbraw/zinc/52/14/62/1224521462.db2.gz KYFBWCOIUBVIAG-OKZBNKHCSA-N 1 2 326.440 2.461 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OCC)c(OC)c1 ZINC001018258990 1224536077 /nfs/dbraw/zinc/53/60/77/1224536077.db2.gz QJJIROYFEDHDNO-CALCHBBNSA-N 1 2 342.439 2.406 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OCC)c(OC)c1 ZINC001018258990 1224536082 /nfs/dbraw/zinc/53/60/82/1224536082.db2.gz QJJIROYFEDHDNO-CALCHBBNSA-N 1 2 342.439 2.406 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ncc(C(C)(C)C)o1 ZINC001134054952 1199264853 /nfs/dbraw/zinc/26/48/53/1199264853.db2.gz XABJMAWNWSQCAC-MCIONIFRSA-N 1 2 335.448 2.330 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(OC)nn2)C1 ZINC001132064217 1199275565 /nfs/dbraw/zinc/27/55/65/1199275565.db2.gz GMPRIODLKIMULE-LSDHHAIUSA-N 1 2 332.448 2.311 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001132064217 1199275569 /nfs/dbraw/zinc/27/55/69/1199275569.db2.gz GMPRIODLKIMULE-LSDHHAIUSA-N 1 2 332.448 2.311 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COCc2ncc(C)o2)CC[C@@H]1C ZINC001132164861 1199402335 /nfs/dbraw/zinc/40/23/35/1199402335.db2.gz LADPYRQXOCNWGR-JSGCOSHPSA-N 1 2 341.839 2.221 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COCc2ncc(C)o2)CC[C@@H]1C ZINC001132164861 1199402338 /nfs/dbraw/zinc/40/23/38/1199402338.db2.gz LADPYRQXOCNWGR-JSGCOSHPSA-N 1 2 341.839 2.221 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(OC)nn2)C1 ZINC001132235172 1199454394 /nfs/dbraw/zinc/45/43/94/1199454394.db2.gz JBHXMRNFAMNDPA-JKSUJKDBSA-N 1 2 344.459 2.148 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001132235172 1199454397 /nfs/dbraw/zinc/45/43/97/1199454397.db2.gz JBHXMRNFAMNDPA-JKSUJKDBSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=O)NCCCC)C2)C1 ZINC001132274412 1199523200 /nfs/dbraw/zinc/52/32/00/1199523200.db2.gz TVDDRUMOBBWCNH-HZPDHXFCSA-N 1 2 335.492 2.228 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=O)NCCCC)C2)C1 ZINC001132274412 1199523204 /nfs/dbraw/zinc/52/32/04/1199523204.db2.gz TVDDRUMOBBWCNH-HZPDHXFCSA-N 1 2 335.492 2.228 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NCCCC)C1 ZINC001132332017 1199579470 /nfs/dbraw/zinc/57/94/70/1199579470.db2.gz QYLYYQBGNKCWDE-HOTGVXAUSA-N 1 2 337.508 2.474 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCCCC)C1 ZINC001132332017 1199579473 /nfs/dbraw/zinc/57/94/73/1199579473.db2.gz QYLYYQBGNKCWDE-HOTGVXAUSA-N 1 2 337.508 2.474 20 30 EEEDLO C=C(Br)CN1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014938861 1224559447 /nfs/dbraw/zinc/55/94/47/1224559447.db2.gz XHWFPHVGYJAYBH-LBPRGKRZSA-N 1 2 349.232 2.276 20 30 EEEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878035318 1200225601 /nfs/dbraw/zinc/22/56/01/1200225601.db2.gz RQCIBNWUXUKCJP-HKUYNNGSSA-N 1 2 327.428 2.028 20 30 EEEDLO CNC(=O)[C@@H]1CCCC[N@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878035318 1200225606 /nfs/dbraw/zinc/22/56/06/1200225606.db2.gz RQCIBNWUXUKCJP-HKUYNNGSSA-N 1 2 327.428 2.028 20 30 EEEDLO COC[C@@H]1C[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C[C@H](C)O1 ZINC000878483306 1200494900 /nfs/dbraw/zinc/49/49/00/1200494900.db2.gz KQVJECXIBLOYHS-SNRMKQJTSA-N 1 2 330.428 2.163 20 30 EEEDLO COC[C@@H]1C[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C[C@H](C)O1 ZINC000878483306 1200494904 /nfs/dbraw/zinc/49/49/04/1200494904.db2.gz KQVJECXIBLOYHS-SNRMKQJTSA-N 1 2 330.428 2.163 20 30 EEEDLO COc1cccc([C@H]2CN(C(=O)c3cc(O)cc(C#N)c3)CC[NH2+]2)c1 ZINC000870153789 1200517076 /nfs/dbraw/zinc/51/70/76/1200517076.db2.gz YDVCAWDZZBVRAT-GOSISDBHSA-N 1 2 337.379 2.059 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CN(c2[nH+]cnc3c2cnn3C)CC1(C)C ZINC001114467592 1200896204 /nfs/dbraw/zinc/89/62/04/1200896204.db2.gz BTKFTKLVHFYDJA-AWEZNQCLSA-N 1 2 342.447 2.051 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)CC1(C)C)OCC ZINC001114467896 1200933783 /nfs/dbraw/zinc/93/37/83/1200933783.db2.gz JVQQISBCRLKGGS-HZPDHXFCSA-N 1 2 346.475 2.487 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@](C)(C=C)CC)C2)CC1 ZINC001018371073 1224653912 /nfs/dbraw/zinc/65/39/12/1224653912.db2.gz CIEOKYAEGXOXAM-XLIONFOSSA-N 1 2 347.503 2.158 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2ccnc(SC(C)C)n2)C1=O ZINC001273972228 1201927986 /nfs/dbraw/zinc/92/79/86/1201927986.db2.gz FLHRRCCZBOSUKC-GOSISDBHSA-N 1 2 344.484 2.177 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccnc(SC(C)C)n2)C1=O ZINC001273972228 1201927988 /nfs/dbraw/zinc/92/79/88/1201927988.db2.gz FLHRRCCZBOSUKC-GOSISDBHSA-N 1 2 344.484 2.177 20 30 EEEDLO N#Cc1cccc(CN2CC[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2CO)c1 ZINC000886369472 1202497916 /nfs/dbraw/zinc/49/79/16/1202497916.db2.gz HCPXSWUYRFWDMC-OAQYLSRUSA-N 1 2 346.434 2.109 20 30 EEEDLO N#Cc1cccc(CN2CC[N@H+](Cc3cccc(C#N)c3)C[C@@H]2CO)c1 ZINC000886369472 1202497917 /nfs/dbraw/zinc/49/79/17/1202497917.db2.gz HCPXSWUYRFWDMC-OAQYLSRUSA-N 1 2 346.434 2.109 20 30 EEEDLO 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1219215885 /nfs/dbraw/zinc/21/58/85/1219215885.db2.gz DQSCWYYBGKBQMM-CRAIPNDOSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC2(C[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000965717169 1219216708 /nfs/dbraw/zinc/21/67/08/1219216708.db2.gz LKRLNYYWNSGZSA-HNNXBMFYSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C2=CCOCC2)C1 ZINC000965934898 1219374323 /nfs/dbraw/zinc/37/43/23/1219374323.db2.gz ASPCHGVIIMJUNC-SMDDNHRTSA-N 1 2 343.265 2.068 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2=CCOCC2)C1 ZINC000965934898 1219374325 /nfs/dbraw/zinc/37/43/25/1219374325.db2.gz ASPCHGVIIMJUNC-SMDDNHRTSA-N 1 2 343.265 2.068 20 30 EEEDLO Cc1ccnc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@H]2C)n1 ZINC000965969062 1219407033 /nfs/dbraw/zinc/40/70/33/1219407033.db2.gz GNCZEWNRZJLTHK-KDOFPFPSSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1ccnc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3C#N)CC[C@H]2C)n1 ZINC000965969062 1219407036 /nfs/dbraw/zinc/40/70/36/1219407036.db2.gz GNCZEWNRZJLTHK-KDOFPFPSSA-N 1 2 349.438 2.297 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1ncc[nH]1 ZINC000966000867 1219436155 /nfs/dbraw/zinc/43/61/55/1219436155.db2.gz TUZIBPGMJHRRCW-BLLLJJGKSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1ncc[nH]1 ZINC000966000867 1219436159 /nfs/dbraw/zinc/43/61/59/1219436159.db2.gz TUZIBPGMJHRRCW-BLLLJJGKSA-N 1 2 341.390 2.061 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn(C3CCC3)nn2)C1 ZINC000966166556 1219564177 /nfs/dbraw/zinc/56/41/77/1219564177.db2.gz KPJISWIFIKFANH-RISCZKNCSA-N 1 2 337.855 2.196 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn(C3CCC3)nn2)C1 ZINC000966166556 1219564182 /nfs/dbraw/zinc/56/41/82/1219564182.db2.gz KPJISWIFIKFANH-RISCZKNCSA-N 1 2 337.855 2.196 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ncccc2OC)C1 ZINC000968036568 1221002276 /nfs/dbraw/zinc/00/22/76/1221002276.db2.gz RYVZPBLXVGLNQQ-SWLSCSKDSA-N 1 2 337.851 2.212 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2ncccc2OC)C1 ZINC000968036568 1221002278 /nfs/dbraw/zinc/00/22/78/1221002278.db2.gz RYVZPBLXVGLNQQ-SWLSCSKDSA-N 1 2 337.851 2.212 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)n(C)n3)CC[C@H]2C)C1 ZINC000968277439 1221171779 /nfs/dbraw/zinc/17/17/79/1221171779.db2.gz ZCWVJMNHZVDOOS-RHSMWYFYSA-N 1 2 330.476 2.411 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)n(C)n3)CC[C@H]2C)C1 ZINC000968277439 1221171781 /nfs/dbraw/zinc/17/17/81/1221171781.db2.gz ZCWVJMNHZVDOOS-RHSMWYFYSA-N 1 2 330.476 2.411 20 30 EEEDLO CCCCc1noc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC000968617895 1221442907 /nfs/dbraw/zinc/44/29/07/1221442907.db2.gz OMNNLVZDADFMDP-UKRRQHHQSA-N 1 2 330.432 2.077 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccn3)C2)ccc1F ZINC001006578562 1221844103 /nfs/dbraw/zinc/84/41/03/1221844103.db2.gz IUGYHHBEZIJXQV-MRXNPFEDSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3ccccn3)C2)ccc1F ZINC001006578562 1221844107 /nfs/dbraw/zinc/84/41/07/1221844107.db2.gz IUGYHHBEZIJXQV-MRXNPFEDSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001007088716 1222089638 /nfs/dbraw/zinc/08/96/38/1222089638.db2.gz YTZRZZRVGBKHPN-QGZVFWFLSA-N 1 2 336.395 2.053 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001007088716 1222089642 /nfs/dbraw/zinc/08/96/42/1222089642.db2.gz YTZRZZRVGBKHPN-QGZVFWFLSA-N 1 2 336.395 2.053 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CC3(F)F)C2)ccc1F ZINC001007299505 1222159032 /nfs/dbraw/zinc/15/90/32/1222159032.db2.gz RBKDDUVFJAJIQU-KGLIPLIRSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CC3(F)F)C2)ccc1F ZINC001007299505 1222159033 /nfs/dbraw/zinc/15/90/33/1222159033.db2.gz RBKDDUVFJAJIQU-KGLIPLIRSA-N 1 2 337.345 2.433 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001007302338 1222160932 /nfs/dbraw/zinc/16/09/32/1222160932.db2.gz BCXYBUOJQMSFQW-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001007302338 1222160936 /nfs/dbraw/zinc/16/09/36/1222160936.db2.gz BCXYBUOJQMSFQW-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1ncn(C)c1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001007537543 1222282436 /nfs/dbraw/zinc/28/24/36/1222282436.db2.gz LBEJZLZZFXHBSH-ZDUSSCGKSA-N 1 2 343.456 2.056 20 30 EEEDLO Cc1ncn(C)c1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001007537543 1222282441 /nfs/dbraw/zinc/28/24/41/1222282441.db2.gz LBEJZLZZFXHBSH-ZDUSSCGKSA-N 1 2 343.456 2.056 20 30 EEEDLO Cc1nnccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001007811107 1222433132 /nfs/dbraw/zinc/43/31/32/1222433132.db2.gz JZGFVFXOMSLEOY-ZDUSSCGKSA-N 1 2 341.440 2.113 20 30 EEEDLO Cc1nnccc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001007811107 1222433133 /nfs/dbraw/zinc/43/31/33/1222433133.db2.gz JZGFVFXOMSLEOY-ZDUSSCGKSA-N 1 2 341.440 2.113 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001008013447 1222565073 /nfs/dbraw/zinc/56/50/73/1222565073.db2.gz CKUNVTYFIKGLOF-LBPRGKRZSA-N 1 2 333.823 2.213 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001008013447 1222565075 /nfs/dbraw/zinc/56/50/75/1222565075.db2.gz CKUNVTYFIKGLOF-LBPRGKRZSA-N 1 2 333.823 2.213 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001008595739 1222950498 /nfs/dbraw/zinc/95/04/98/1222950498.db2.gz ADHJRNABNCQFGL-MANSERQUSA-N 1 2 339.439 2.206 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001008595739 1222950501 /nfs/dbraw/zinc/95/05/01/1222950501.db2.gz ADHJRNABNCQFGL-MANSERQUSA-N 1 2 339.439 2.206 20 30 EEEDLO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)CCOC1 ZINC001008986804 1223104223 /nfs/dbraw/zinc/10/42/23/1223104223.db2.gz RNFIXLROUVEJSZ-QUCCMNQESA-N 1 2 344.430 2.184 20 30 EEEDLO C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)CCOC1 ZINC001008986804 1223104224 /nfs/dbraw/zinc/10/42/24/1223104224.db2.gz RNFIXLROUVEJSZ-QUCCMNQESA-N 1 2 344.430 2.184 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001009007951 1223111342 /nfs/dbraw/zinc/11/13/42/1223111342.db2.gz DQYAKSRDHMQZJD-ZDUSSCGKSA-N 1 2 347.850 2.223 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001009007951 1223111346 /nfs/dbraw/zinc/11/13/46/1223111346.db2.gz DQYAKSRDHMQZJD-ZDUSSCGKSA-N 1 2 347.850 2.223 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001009229849 1223183312 /nfs/dbraw/zinc/18/33/12/1223183312.db2.gz DGVUEWPRTIAGES-HNNXBMFYSA-N 1 2 338.883 2.395 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001009229849 1223183313 /nfs/dbraw/zinc/18/33/13/1223183313.db2.gz DGVUEWPRTIAGES-HNNXBMFYSA-N 1 2 338.883 2.395 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001009354348 1223219604 /nfs/dbraw/zinc/21/96/04/1223219604.db2.gz RUABRUBTNPIKOE-LJQANCHMSA-N 1 2 348.450 2.090 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCC[N@H+](Cc2cnc(C)cn2)C1 ZINC001009354348 1223219608 /nfs/dbraw/zinc/21/96/08/1223219608.db2.gz RUABRUBTNPIKOE-LJQANCHMSA-N 1 2 348.450 2.090 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)OCCO3)C1 ZINC001009497239 1223264288 /nfs/dbraw/zinc/26/42/88/1223264288.db2.gz QLILUNBKAOEHCR-AWEZNQCLSA-N 1 2 336.819 2.405 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)OCCO3)C1 ZINC001009497239 1223264291 /nfs/dbraw/zinc/26/42/91/1223264291.db2.gz QLILUNBKAOEHCR-AWEZNQCLSA-N 1 2 336.819 2.405 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)CC3CCOCC3)C2)c1 ZINC001010401404 1223702194 /nfs/dbraw/zinc/70/21/94/1223702194.db2.gz YMHONMMBFIVGKC-KRWDZBQOSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)CC3CCOCC3)C2)c1 ZINC001010401404 1223702195 /nfs/dbraw/zinc/70/21/95/1223702195.db2.gz YMHONMMBFIVGKC-KRWDZBQOSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)c1 ZINC001010456383 1223728233 /nfs/dbraw/zinc/72/82/33/1223728233.db2.gz FDKXEERUZNKLNR-ZDUSSCGKSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)c1 ZINC001010456383 1223728236 /nfs/dbraw/zinc/72/82/36/1223728236.db2.gz FDKXEERUZNKLNR-ZDUSSCGKSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3CCCOC3)C2)c(F)c1 ZINC001016276135 1226289828 /nfs/dbraw/zinc/28/98/28/1226289828.db2.gz JUMNPGAOPRJAJM-NVXWUHKLSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C[C@H]3CCCOC3)C2)c(F)c1 ZINC001016276135 1226289834 /nfs/dbraw/zinc/28/98/34/1226289834.db2.gz JUMNPGAOPRJAJM-NVXWUHKLSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ncc3n2CCCC3)C1 ZINC001016297112 1226315587 /nfs/dbraw/zinc/31/55/87/1226315587.db2.gz KFCKZPDEVOBHBN-KRWDZBQOSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ncc3n2CCCC3)C1 ZINC001016297112 1226315591 /nfs/dbraw/zinc/31/55/91/1226315591.db2.gz KFCKZPDEVOBHBN-KRWDZBQOSA-N 1 2 349.438 2.095 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(=O)CCC)C1 ZINC001016322910 1226342145 /nfs/dbraw/zinc/34/21/45/1226342145.db2.gz AZQGAHGSDZMENI-GJZGRUSLSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(=O)CCC)C1 ZINC001016322910 1226342154 /nfs/dbraw/zinc/34/21/54/1226342154.db2.gz AZQGAHGSDZMENI-GJZGRUSLSA-N 1 2 341.883 2.111 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2c(F)cncc2F)C1 ZINC001014582556 1226805885 /nfs/dbraw/zinc/80/58/85/1226805885.db2.gz QQLJTOWDBAFTTP-CQSZACIVSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2c(F)cncc2F)C1 ZINC001014582556 1226805890 /nfs/dbraw/zinc/80/58/90/1226805890.db2.gz QQLJTOWDBAFTTP-CQSZACIVSA-N 1 2 342.349 2.236 20 30 EEEDLO C[C@@H](O[NH+]=C(N)Cc1ccccc1)C(=O)NCc1ccccc1F ZINC000114630151 1226813175 /nfs/dbraw/zinc/81/31/75/1226813175.db2.gz AZDJQQUXQWHMHJ-CYBMUJFWSA-N 1 2 329.375 2.362 20 30 EEEDLO Cn1nc(C2CC2)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001014594347 1226820267 /nfs/dbraw/zinc/82/02/67/1226820267.db2.gz LTPGQWAKOZMBOL-KRWDZBQOSA-N 1 2 349.438 2.173 20 30 EEEDLO Cn1nc(C2CC2)cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001014594347 1226820268 /nfs/dbraw/zinc/82/02/68/1226820268.db2.gz LTPGQWAKOZMBOL-KRWDZBQOSA-N 1 2 349.438 2.173 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2nncn2C)C1 ZINC001017181350 1227200853 /nfs/dbraw/zinc/20/08/53/1227200853.db2.gz ZPSVTJORLDJJCU-OAHLLOKOSA-N 1 2 333.480 2.088 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](C[N@H+](C)Cc2nncn2C)C1 ZINC001017181350 1227200856 /nfs/dbraw/zinc/20/08/56/1227200856.db2.gz ZPSVTJORLDJJCU-OAHLLOKOSA-N 1 2 333.480 2.088 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2nncn2C)C1 ZINC001017181348 1227201121 /nfs/dbraw/zinc/20/11/21/1227201121.db2.gz ZPSVTJORLDJJCU-HNNXBMFYSA-N 1 2 333.480 2.088 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2nncn2C)C1 ZINC001017181348 1227201124 /nfs/dbraw/zinc/20/11/24/1227201124.db2.gz ZPSVTJORLDJJCU-HNNXBMFYSA-N 1 2 333.480 2.088 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H](C[N@H+](C)Cc2ncnn2C)C1 ZINC001017201297 1227223350 /nfs/dbraw/zinc/22/33/50/1227223350.db2.gz GXFVRQFLDPXOKC-QAPCUYQASA-N 1 2 333.480 2.088 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ncnn2C)C1 ZINC001017201297 1227223355 /nfs/dbraw/zinc/22/33/55/1227223355.db2.gz GXFVRQFLDPXOKC-QAPCUYQASA-N 1 2 333.480 2.088 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC001017549951 1227512100 /nfs/dbraw/zinc/51/21/00/1227512100.db2.gz PNYGFXWCJSKMPP-RYQLBKOJSA-N 1 2 342.414 2.075 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC001017549951 1227512103 /nfs/dbraw/zinc/51/21/03/1227512103.db2.gz PNYGFXWCJSKMPP-RYQLBKOJSA-N 1 2 342.414 2.075 20 30 EEEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc([C@@H](C)OC)s1 ZINC001017554985 1227516613 /nfs/dbraw/zinc/51/66/13/1227516613.db2.gz HQJXVHHWDHVQSR-MCIONIFRSA-N 1 2 333.457 2.163 20 30 EEEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc([C@@H](C)OC)s1 ZINC001017554985 1227516616 /nfs/dbraw/zinc/51/66/16/1227516616.db2.gz HQJXVHHWDHVQSR-MCIONIFRSA-N 1 2 333.457 2.163 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001054677638 1248848775 /nfs/dbraw/zinc/84/87/75/1248848775.db2.gz FMEMLZQHZNPRQC-ZYHUDNBSSA-N 1 2 340.855 2.347 20 30 EEEDLO Cc1cc(N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)nc(C(C)C)[nH+]1 ZINC001058330008 1248873533 /nfs/dbraw/zinc/87/35/33/1248873533.db2.gz IJBYNMOINAOYAA-CQSZACIVSA-N 1 2 338.415 2.117 20 30 EEEDLO CC(C)c1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001038169735 1229675064 /nfs/dbraw/zinc/67/50/64/1229675064.db2.gz ODOMAWYKBRJUAU-INIZCTEOSA-N 1 2 337.427 2.409 20 30 EEEDLO CC(C)c1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001038169735 1229675067 /nfs/dbraw/zinc/67/50/67/1229675067.db2.gz ODOMAWYKBRJUAU-INIZCTEOSA-N 1 2 337.427 2.409 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCCOCC1 ZINC001038219628 1229692715 /nfs/dbraw/zinc/69/27/15/1229692715.db2.gz WNPRKXXJVGHHFX-OALUTQOASA-N 1 2 326.440 2.045 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCCOCC1 ZINC001038219628 1229692717 /nfs/dbraw/zinc/69/27/17/1229692717.db2.gz WNPRKXXJVGHHFX-OALUTQOASA-N 1 2 326.440 2.045 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1c(C)nsc1C ZINC001038266634 1229712330 /nfs/dbraw/zinc/71/23/30/1229712330.db2.gz MKFBGVCIDSMXKY-UXLLHSPISA-N 1 2 349.500 2.432 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1c(C)nsc1C ZINC001038266634 1229712331 /nfs/dbraw/zinc/71/23/31/1229712331.db2.gz MKFBGVCIDSMXKY-UXLLHSPISA-N 1 2 349.500 2.432 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccn3ccnc3c2)cc1 ZINC001038509618 1229881907 /nfs/dbraw/zinc/88/19/07/1229881907.db2.gz YPLPZIRXEUDNQI-GOSISDBHSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccn3ccnc3c2)cc1 ZINC001038509618 1229881918 /nfs/dbraw/zinc/88/19/18/1229881918.db2.gz YPLPZIRXEUDNQI-GOSISDBHSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnn3c2CCCC3)c1 ZINC001038892103 1230140176 /nfs/dbraw/zinc/14/01/76/1230140176.db2.gz VHCCRWXTTAVXKT-KRWDZBQOSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnn3c2CCCC3)c1 ZINC001038892103 1230140179 /nfs/dbraw/zinc/14/01/79/1230140179.db2.gz VHCCRWXTTAVXKT-KRWDZBQOSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnn(CC3CC3)c2)cc1 ZINC001038896514 1230143236 /nfs/dbraw/zinc/14/32/36/1230143236.db2.gz BZVUFTGYXRRJCA-IBGZPJMESA-N 1 2 349.438 2.169 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnn(CC3CC3)c2)cc1 ZINC001038896514 1230143238 /nfs/dbraw/zinc/14/32/38/1230143238.db2.gz BZVUFTGYXRRJCA-IBGZPJMESA-N 1 2 349.438 2.169 20 30 EEEDLO Cn1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(C#N)cc2)cn1 ZINC001039510798 1230666162 /nfs/dbraw/zinc/66/61/62/1230666162.db2.gz UZEFIZDMFLLFSV-KDURUIRLSA-N 1 2 349.438 2.171 20 30 EEEDLO Cn1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)cc2)cn1 ZINC001039510798 1230666164 /nfs/dbraw/zinc/66/61/64/1230666164.db2.gz UZEFIZDMFLLFSV-KDURUIRLSA-N 1 2 349.438 2.171 20 30 EEEDLO O=C(Cn1cc[nH+]c1)N1C[C@H]2CCC[C@@H](C1)N2CC#Cc1ccccc1 ZINC001040024612 1230969493 /nfs/dbraw/zinc/96/94/93/1230969493.db2.gz VBQCWBNORHZZQK-BGYRXZFFSA-N 1 2 348.450 2.000 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1nnc(C)o1)C2 ZINC001040328365 1231172459 /nfs/dbraw/zinc/17/24/59/1231172459.db2.gz LJGMOSOBFPOKQV-SFHVURJKSA-N 1 2 332.448 2.405 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1nnc(C)o1)C2 ZINC001040328365 1231172461 /nfs/dbraw/zinc/17/24/61/1231172461.db2.gz LJGMOSOBFPOKQV-SFHVURJKSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cocn3)C[C@@H]21 ZINC001041972079 1231800275 /nfs/dbraw/zinc/80/02/75/1231800275.db2.gz IWOQATUGRVOMKA-YPMHNXCESA-N 1 2 340.221 2.120 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cocn3)C[C@@H]21 ZINC001041972079 1231800276 /nfs/dbraw/zinc/80/02/76/1231800276.db2.gz IWOQATUGRVOMKA-YPMHNXCESA-N 1 2 340.221 2.120 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3nc(C)no3)[C@H]2C1 ZINC001042183256 1231941885 /nfs/dbraw/zinc/94/18/85/1231941885.db2.gz INIPEUCLFHJQCL-GJZGRUSLSA-N 1 2 332.448 2.403 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3nc(C)no3)[C@H]2C1 ZINC001042183256 1231941887 /nfs/dbraw/zinc/94/18/87/1231941887.db2.gz INIPEUCLFHJQCL-GJZGRUSLSA-N 1 2 332.448 2.403 20 30 EEEDLO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-c4nnc[nH]4)c3)C[C@H]21 ZINC001042183688 1231942050 /nfs/dbraw/zinc/94/20/50/1231942050.db2.gz QABBRCSGXZRUHP-RHSMWYFYSA-N 1 2 337.427 2.194 20 30 EEEDLO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-c4nnc[nH]4)c3)C[C@H]21 ZINC001042183688 1231942051 /nfs/dbraw/zinc/94/20/51/1231942051.db2.gz QABBRCSGXZRUHP-RHSMWYFYSA-N 1 2 337.427 2.194 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3cnn(CC)n3)[C@@H]2C1 ZINC001042185500 1231944051 /nfs/dbraw/zinc/94/40/51/1231944051.db2.gz TXHAGDHKTKXEED-DOTOQJQBSA-N 1 2 345.491 2.323 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3cnn(CC)n3)[C@@H]2C1 ZINC001042185500 1231944053 /nfs/dbraw/zinc/94/40/53/1231944053.db2.gz TXHAGDHKTKXEED-DOTOQJQBSA-N 1 2 345.491 2.323 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(C(C)C)nn3)[C@@H]2C1 ZINC001042188106 1231945515 /nfs/dbraw/zinc/94/55/15/1231945515.db2.gz PXILRNGSLGBGQE-NVXWUHKLSA-N 1 2 345.491 2.494 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(C(C)C)nn3)[C@@H]2C1 ZINC001042188106 1231945517 /nfs/dbraw/zinc/94/55/17/1231945517.db2.gz PXILRNGSLGBGQE-NVXWUHKLSA-N 1 2 345.491 2.494 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ncnn4CC)[C@@H]3C2)C1 ZINC001042224936 1231967297 /nfs/dbraw/zinc/96/72/97/1231967297.db2.gz SVXGCOPCHQEVTG-HZPDHXFCSA-N 1 2 343.475 2.077 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4ncnn4CC)[C@@H]3C2)C1 ZINC001042224936 1231967298 /nfs/dbraw/zinc/96/72/98/1231967298.db2.gz SVXGCOPCHQEVTG-HZPDHXFCSA-N 1 2 343.475 2.077 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3conc3COC)C[C@@H]21 ZINC001042310738 1232021133 /nfs/dbraw/zinc/02/11/33/1232021133.db2.gz XCVJZKJKBKLUSN-DOMZBBRYSA-N 1 2 339.823 2.110 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3conc3COC)C[C@@H]21 ZINC001042310738 1232021134 /nfs/dbraw/zinc/02/11/34/1232021134.db2.gz XCVJZKJKBKLUSN-DOMZBBRYSA-N 1 2 339.823 2.110 20 30 EEEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001042630328 1232125587 /nfs/dbraw/zinc/12/55/87/1232125587.db2.gz FJRDNOQNXGZNHE-SFHVURJKSA-N 1 2 338.386 2.469 20 30 EEEDLO C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1c1cccc(F)c1C#N ZINC001067550952 1249211251 /nfs/dbraw/zinc/21/12/51/1249211251.db2.gz ZUOXEVGEIZTDAQ-OLZOCXBDSA-N 1 2 341.390 2.137 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001043896872 1232618153 /nfs/dbraw/zinc/61/81/53/1232618153.db2.gz TVFPHVAMDCSUNJ-UXHICEINSA-N 1 2 340.467 2.409 20 30 EEEDLO C#CCOc1ncccc1C(=O)N(C)C1C[NH+](Cc2cccc(C)c2)C1 ZINC001044201886 1232785519 /nfs/dbraw/zinc/78/55/19/1232785519.db2.gz IIXHBFFKQKGJAD-UHFFFAOYSA-N 1 2 349.434 2.358 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)C1C[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001044232951 1232805772 /nfs/dbraw/zinc/80/57/72/1232805772.db2.gz OPMHMIBPASTOGZ-OAQYLSRUSA-N 1 2 348.446 2.087 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC001045603007 1233850000 /nfs/dbraw/zinc/85/00/00/1233850000.db2.gz ODWOBPHWWDLFTO-OLZOCXBDSA-N 1 2 345.281 2.291 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncc(C2CC2)o1 ZINC001045735377 1233937655 /nfs/dbraw/zinc/93/76/55/1233937655.db2.gz NNXPPEKSLXHHMR-CFVMTHIKSA-N 1 2 328.416 2.277 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncc(C2CC2)o1 ZINC001045735377 1233937659 /nfs/dbraw/zinc/93/76/59/1233937659.db2.gz 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C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(F)ccc1OC ZINC001051053828 1244916864 /nfs/dbraw/zinc/91/68/64/1244916864.db2.gz VYRTVJWKHMLMMU-OAHLLOKOSA-N 1 2 336.407 2.231 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cncc2sccc21 ZINC001051086005 1244958780 /nfs/dbraw/zinc/95/87/80/1244958780.db2.gz ISISAYBPUZYYMS-ZDUSSCGKSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cncc2sccc21 ZINC001051086005 1244958787 /nfs/dbraw/zinc/95/87/87/1244958787.db2.gz ISISAYBPUZYYMS-ZDUSSCGKSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001051169698 1245081576 /nfs/dbraw/zinc/08/15/76/1245081576.db2.gz YRKUPJVNELAMQM-CABCVRRESA-N 1 2 340.427 2.267 20 30 EEEDLO C=CCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001051169699 1245081765 /nfs/dbraw/zinc/08/17/65/1245081765.db2.gz YRKUPJVNELAMQM-GJZGRUSLSA-N 1 2 340.427 2.267 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(O[C@H](C)CC)c1 ZINC001051197168 1245375726 /nfs/dbraw/zinc/37/57/26/1245375726.db2.gz KFRWQQOUBRDNJY-WBVHZDCISA-N 1 2 347.459 2.266 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(O[C@H](C)CC)c1 ZINC001051197168 1245375730 /nfs/dbraw/zinc/37/57/30/1245375730.db2.gz KFRWQQOUBRDNJY-WBVHZDCISA-N 1 2 347.459 2.266 20 30 EEEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]c2c1cccc2CC ZINC001051254581 1245444332 /nfs/dbraw/zinc/44/43/32/1245444332.db2.gz KCJBYPBVFSUPNF-INIZCTEOSA-N 1 2 339.439 2.184 20 30 EEEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]c2c1cccc2CC ZINC001051254581 1245444337 /nfs/dbraw/zinc/44/43/37/1245444337.db2.gz KCJBYPBVFSUPNF-INIZCTEOSA-N 1 2 339.439 2.184 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001051258858 1245448452 /nfs/dbraw/zinc/44/84/52/1245448452.db2.gz JKPIRHFEDREVAY-INIZCTEOSA-N 1 2 328.456 2.490 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001051258858 1245448454 /nfs/dbraw/zinc/44/84/54/1245448454.db2.gz JKPIRHFEDREVAY-INIZCTEOSA-N 1 2 328.456 2.490 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C)o3)C[C@@]2(C)C1 ZINC001101336928 1245680530 /nfs/dbraw/zinc/68/05/30/1245680530.db2.gz VYNPCRYHTJQFDC-JOQOYGCGSA-N 1 2 332.448 2.261 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C)o3)C[C@@]2(C)C1 ZINC001101336928 1245680541 /nfs/dbraw/zinc/68/05/41/1245680541.db2.gz VYNPCRYHTJQFDC-JOQOYGCGSA-N 1 2 332.448 2.261 20 30 EEEDLO Cc1ccccc1CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 ZINC001053193169 1246033916 /nfs/dbraw/zinc/03/39/16/1246033916.db2.gz IYLHJRFKIYILLQ-KRWDZBQOSA-N 1 2 341.455 2.001 20 30 EEEDLO Cc1nc(NCC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)cc[nH+]1 ZINC001053342057 1246211745 /nfs/dbraw/zinc/21/17/45/1246211745.db2.gz WAWKGLKLLPGTHR-IUODEOHRSA-N 1 2 338.415 2.195 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1(C(F)F)CCCC1)CCO2 ZINC001053392201 1246274567 /nfs/dbraw/zinc/27/45/67/1246274567.db2.gz UOZICSFLMQRIGK-UHFFFAOYSA-N 1 2 328.403 2.301 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CC3=CCCCC3)C2)CC1 ZINC001051997919 1246359220 /nfs/dbraw/zinc/35/92/20/1246359220.db2.gz KSUMKGRZOJZOTL-LJQANCHMSA-N 1 2 329.488 2.119 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C2)CC1 ZINC001052003830 1246364350 /nfs/dbraw/zinc/36/43/50/1246364350.db2.gz CZQSZHLUSPFLOP-YRXWBPOGSA-N 1 2 331.504 2.217 20 30 EEEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCC4(CC4)C3)C2)CC1 ZINC001052026136 1246389596 /nfs/dbraw/zinc/38/95/96/1246389596.db2.gz AOLFUPMQNABBNK-MOPGFXCFSA-N 1 2 343.515 2.199 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CCO[C@@H](CC)C1)CCO2 ZINC001053501031 1246403703 /nfs/dbraw/zinc/40/37/03/1246403703.db2.gz INHZDKMXMIVLKW-IRXDYDNUSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C)ccc3OC)C2)CC1 ZINC001052046540 1246417866 /nfs/dbraw/zinc/41/78/66/1246417866.db2.gz AAKOVPFEAFKNAS-QGZVFWFLSA-N 1 2 343.471 2.022 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC(C)(C)C3)C2)CC1 ZINC001052077278 1246453907 /nfs/dbraw/zinc/45/39/07/1246453907.db2.gz QGANCHFGBPACRS-ZWKOTPCHSA-N 1 2 331.504 2.055 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)C3(C)CC(=C)C3)C2)CC1 ZINC001052081155 1246458576 /nfs/dbraw/zinc/45/85/76/1246458576.db2.gz JNPOPMFJDHWCPX-MRXNPFEDSA-N 1 2 337.895 2.314 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(C(C)C)cn3)C2)CC1 ZINC001052081691 1246460076 /nfs/dbraw/zinc/46/00/76/1246460076.db2.gz FHWARLKHTVAIDR-GOSISDBHSA-N 1 2 342.487 2.223 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(CC)c(CC)o3)C2)CC1 ZINC001052108963 1246488710 /nfs/dbraw/zinc/48/87/10/1246488710.db2.gz UXOFAYILFOLBRK-KRWDZBQOSA-N 1 2 345.487 2.423 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C)c(OC)c1)O2 ZINC001053625909 1246553390 /nfs/dbraw/zinc/55/33/90/1246553390.db2.gz IMOONPMGWDOLCB-INIZCTEOSA-N 1 2 330.428 2.153 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001052188657 1246613283 /nfs/dbraw/zinc/61/32/83/1246613283.db2.gz RJHPRWNIINXLBF-UKRRQHHQSA-N 1 2 340.427 2.353 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc3[nH]c(C)nc31)O2 ZINC001053682360 1246638198 /nfs/dbraw/zinc/63/81/98/1246638198.db2.gz FJMKSHYIVLGQLG-AWEZNQCLSA-N 1 2 340.427 2.021 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nc(C)c(C)s1)O2 ZINC001053695721 1246667704 /nfs/dbraw/zinc/66/77/04/1246667704.db2.gz QPDDRBPVEAFDFE-CQSZACIVSA-N 1 2 335.473 2.299 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1(c3ccc(F)cc3)CC1)CO2 ZINC001053822369 1246846293 /nfs/dbraw/zinc/84/62/93/1246846293.db2.gz LVTUJZNEFITRPB-QGZVFWFLSA-N 1 2 344.430 2.393 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)c3ccccc3n1)CO2 ZINC001053848200 1246904379 /nfs/dbraw/zinc/90/43/79/1246904379.db2.gz UDKCWKLYRPGJSS-INIZCTEOSA-N 1 2 349.434 2.140 20 30 EEEDLO N#Cc1cccnc1N[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001057719759 1246916096 /nfs/dbraw/zinc/91/60/96/1246916096.db2.gz UHWHGKYFKSDBHG-OAHLLOKOSA-N 1 2 346.394 2.318 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@]1(C)c1ccccc1)CO2 ZINC001053874490 1246950826 /nfs/dbraw/zinc/95/08/26/1246950826.db2.gz FGPNVCCHYVHGJY-CMKODMSKSA-N 1 2 340.467 2.500 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)cc(C)nc1C)CO2 ZINC001053875597 1246952650 /nfs/dbraw/zinc/95/26/50/1246952650.db2.gz HJXNUBFORZNISK-INIZCTEOSA-N 1 2 329.444 2.156 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCOc3ccccc31)CO2 ZINC001053957392 1247067947 /nfs/dbraw/zinc/06/79/47/1247067947.db2.gz AOVUGAKCCQKDFL-WBVHZDCISA-N 1 2 342.439 2.088 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1sc(C)cc1C)CO2 ZINC001053995185 1247125139 /nfs/dbraw/zinc/12/51/39/1247125139.db2.gz UNJDERDQFSLITI-HNNXBMFYSA-N 1 2 334.485 2.443 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)n(C(C)(C)C)n1)CO2 ZINC001054008953 1247142897 /nfs/dbraw/zinc/14/28/97/1247142897.db2.gz KQKQYKIZSBGVOO-HNNXBMFYSA-N 1 2 346.475 2.096 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc(CC(C)C)s1)CO2 ZINC001054021090 1247160457 /nfs/dbraw/zinc/16/04/57/1247160457.db2.gz 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C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H](OC)C3)cc2C1 ZINC001054279247 1247992688 /nfs/dbraw/zinc/99/26/88/1247992688.db2.gz XGAJJVNDUHXDCQ-VQIMIIECSA-N 1 2 326.440 2.457 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccncc1)C[C@H](C)O2 ZINC001071125526 1253976181 /nfs/dbraw/zinc/97/61/81/1253976181.db2.gz SMNNVBRGHQEIKS-WMLDXEAASA-N 1 2 335.835 2.140 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ccncc1)C[C@H](C)O2 ZINC001071125526 1253976190 /nfs/dbraw/zinc/97/61/90/1253976190.db2.gz SMNNVBRGHQEIKS-WMLDXEAASA-N 1 2 335.835 2.140 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc[nH]c1C)C[C@H](C)O2 ZINC001071154978 1254011705 /nfs/dbraw/zinc/01/17/05/1254011705.db2.gz SQHJWFYGNOMUJX-GUYCJALGSA-N 1 2 337.851 2.381 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc[nH]c1C)C[C@H](C)O2 ZINC001071154978 1254011711 /nfs/dbraw/zinc/01/17/11/1254011711.db2.gz SQHJWFYGNOMUJX-GUYCJALGSA-N 1 2 337.851 2.381 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3C#N)C2)ncn1 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C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCCOC2)C1 ZINC001150540722 1316292957 /nfs/dbraw/zinc/29/29/57/1316292957.db2.gz GDFPKYBOUPOYJK-HOTGVXAUSA-N 1 2 344.883 2.153 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCCOC2)C1 ZINC001150540722 1316292962 /nfs/dbraw/zinc/29/29/62/1316292962.db2.gz GDFPKYBOUPOYJK-HOTGVXAUSA-N 1 2 344.883 2.153 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2ccccc2F)C1 ZINC001150663053 1316334042 /nfs/dbraw/zinc/33/40/42/1316334042.db2.gz FVNVOQAIXZUKPR-OAHLLOKOSA-N 1 2 340.826 2.328 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)Cc2ccccc2F)C1 ZINC001150663053 1316334044 /nfs/dbraw/zinc/33/40/44/1316334044.db2.gz FVNVOQAIXZUKPR-OAHLLOKOSA-N 1 2 340.826 2.328 20 30 EEEDLO C=CC[C@H](C(=O)NCC[NH2+]Cc1nc(CC)no1)c1ccccc1 ZINC001151838238 1316595929 /nfs/dbraw/zinc/59/59/29/1316595929.db2.gz NCNRMUIJKGEZMR-HNNXBMFYSA-N 1 2 328.416 2.198 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCO1 ZINC001152750487 1316717803 /nfs/dbraw/zinc/71/78/03/1316717803.db2.gz ZGWVXESSVINABE-OLZOCXBDSA-N 1 2 333.270 2.291 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCO1 ZINC001152750487 1316717804 /nfs/dbraw/zinc/71/78/04/1316717804.db2.gz ZGWVXESSVINABE-OLZOCXBDSA-N 1 2 333.270 2.291 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncccn1)OCC ZINC001153660119 1316860327 /nfs/dbraw/zinc/86/03/27/1316860327.db2.gz KQBHSKTYEAUJKA-HZPDHXFCSA-N 1 2 334.464 2.175 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncccn1)OCC ZINC001153660119 1316860330 /nfs/dbraw/zinc/86/03/30/1316860330.db2.gz KQBHSKTYEAUJKA-HZPDHXFCSA-N 1 2 334.464 2.175 20 30 EEEDLO C#CC[C@H](CC(=O)NCC[NH2+][C@@H](C)c1nc(C)no1)c1ccccc1 ZINC001153699696 1316865762 /nfs/dbraw/zinc/86/57/62/1316865762.db2.gz IPLIQTZHNMIOPD-WMLDXEAASA-N 1 2 340.427 2.342 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncccn1 ZINC001154477365 1317152916 /nfs/dbraw/zinc/15/29/16/1317152916.db2.gz NDFZVOBZYGOAHF-CRAIPNDOSA-N 1 2 334.464 2.032 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncccn1 ZINC001154477365 1317152919 /nfs/dbraw/zinc/15/29/19/1317152919.db2.gz NDFZVOBZYGOAHF-CRAIPNDOSA-N 1 2 334.464 2.032 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC001251985167 1317533169 /nfs/dbraw/zinc/53/31/69/1317533169.db2.gz GMYRDTQBPGLGDL-MSOLQXFVSA-N 1 2 342.443 2.133 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1C[C@H](O)c1ccccc1 ZINC001251985167 1317533175 /nfs/dbraw/zinc/53/31/75/1317533175.db2.gz GMYRDTQBPGLGDL-MSOLQXFVSA-N 1 2 342.443 2.133 20 30 EEEDLO CC(C)(C)OC(=O)N1CCC2(CC[C@H](N3CC[NH2+]C[C@H]3C#N)C2)CC1 ZINC001254745283 1318180101 /nfs/dbraw/zinc/18/01/01/1318180101.db2.gz SDNWCDYNRIZMNI-JKSUJKDBSA-N 1 2 348.491 2.354 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)c2cn3c(Br)ccc3cn2)CC1 ZINC001157244206 1318516011 /nfs/dbraw/zinc/51/60/11/1318516011.db2.gz RPUKCHSLDZLRKW-UHFFFAOYSA-N 1 2 349.232 2.041 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)COC ZINC001157680379 1318792128 /nfs/dbraw/zinc/79/21/28/1318792128.db2.gz RKFUTUCBJDTAEF-TZMCWYRMSA-N 1 2 347.297 2.490 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)COC ZINC001157680379 1318792137 /nfs/dbraw/zinc/79/21/37/1318792137.db2.gz RKFUTUCBJDTAEF-TZMCWYRMSA-N 1 2 347.297 2.490 20 30 EEEDLO Cn1ccc(C[N@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)(C)C)n1 ZINC001157964900 1318950718 /nfs/dbraw/zinc/95/07/18/1318950718.db2.gz GVTLMIJESJSUKQ-QGZVFWFLSA-N 1 2 330.476 2.283 20 30 EEEDLO Cn1ccc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)(C)C)n1 ZINC001157964900 1318950722 /nfs/dbraw/zinc/95/07/22/1318950722.db2.gz GVTLMIJESJSUKQ-QGZVFWFLSA-N 1 2 330.476 2.283 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NCc2c[nH+]cn2CC2CCC2)cc1 ZINC001258174914 1319200513 /nfs/dbraw/zinc/20/05/13/1319200513.db2.gz WODUMTYXAHYOTA-UHFFFAOYSA-N 1 2 330.413 2.033 20 30 EEEDLO Cc1cc(NS(=O)(=O)c2ccccc2C#N)n(-c2cc[nH+]cc2)n1 ZINC001258208117 1319209731 /nfs/dbraw/zinc/20/97/31/1319209731.db2.gz IIMHMMVRQRBNQL-UHFFFAOYSA-N 1 2 339.380 2.248 20 30 EEEDLO COc1nc(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c(F)cc1C#N ZINC001158628613 1319344026 /nfs/dbraw/zinc/34/40/26/1319344026.db2.gz MTNBIKYRSQUXOG-ZDUSSCGKSA-N 1 2 340.349 2.411 20 30 EEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C(C)(C)C1 ZINC001259112230 1319445794 /nfs/dbraw/zinc/44/57/94/1319445794.db2.gz VEZURAUGHGMXJL-UHFFFAOYSA-N 1 2 341.864 2.316 20 30 EEEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C(C)(C)C1 ZINC001259112230 1319445806 /nfs/dbraw/zinc/44/58/06/1319445806.db2.gz VEZURAUGHGMXJL-UHFFFAOYSA-N 1 2 341.864 2.316 20 30 EEEDLO C=CCOCC(=O)NCCC1=CC[N@H+]([C@@H](C)c2nc(CC)no2)CC1 ZINC001159618823 1319919132 /nfs/dbraw/zinc/91/91/32/1319919132.db2.gz IDKHHXPIMCCCGI-AWEZNQCLSA-N 1 2 348.447 2.034 20 30 EEEDLO C=CCOCC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nc(CC)no2)CC1 ZINC001159618823 1319919134 /nfs/dbraw/zinc/91/91/34/1319919134.db2.gz IDKHHXPIMCCCGI-AWEZNQCLSA-N 1 2 348.447 2.034 20 30 EEEDLO N#Cc1ccc(N2CCCN(c3ccc(Cl)c(N)[nH+]3)CC2)nc1 ZINC001166842270 1321798348 /nfs/dbraw/zinc/79/83/48/1321798348.db2.gz LFDIGUVRUWOCIS-UHFFFAOYSA-N 1 2 328.807 2.301 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@](C)(C(=O)OC)C1 ZINC001262948765 1322402810 /nfs/dbraw/zinc/40/28/10/1322402810.db2.gz WNHHGUNLNPBBFX-KSSFIOAISA-N 1 2 347.463 2.010 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@](C)(C(=O)OC)C1 ZINC001262948765 1322402814 /nfs/dbraw/zinc/40/28/14/1322402814.db2.gz WNHHGUNLNPBBFX-KSSFIOAISA-N 1 2 347.463 2.010 20 30 EEEDLO CCOCCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206532220 1323525233 /nfs/dbraw/zinc/52/52/33/1323525233.db2.gz YTBXMUZZQRXIJK-CXAGYDPISA-N 1 2 333.407 2.060 20 30 EEEDLO CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206532220 1323525235 /nfs/dbraw/zinc/52/52/35/1323525235.db2.gz YTBXMUZZQRXIJK-CXAGYDPISA-N 1 2 333.407 2.060 20 30 EEEDLO Cn1cc(CN2C[C@@H]3COC[C@H](C2)[N@@H+]3CCC2CCCC2)cc1C#N ZINC001276512080 1323881969 /nfs/dbraw/zinc/88/19/69/1323881969.db2.gz NVRWRYYWYDKKGY-BGYRXZFFSA-N 1 2 342.487 2.362 20 30 EEEDLO Cn1cc(CN2C[C@@H]3COC[C@H](C2)[N@H+]3CCC2CCCC2)cc1C#N ZINC001276512080 1323881975 /nfs/dbraw/zinc/88/19/75/1323881975.db2.gz NVRWRYYWYDKKGY-BGYRXZFFSA-N 1 2 342.487 2.362 20 30 EEEDLO Cc1ccc(C#N)c(NC(=O)[C@H]2CC23C[NH+](Cc2cnc(C)nc2)C3)c1 ZINC001279920729 1324032375 /nfs/dbraw/zinc/03/23/75/1324032375.db2.gz LSODMLYRCQLSGN-QGZVFWFLSA-N 1 2 347.422 2.426 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)cccc1C ZINC001316601545 1324097386 /nfs/dbraw/zinc/09/73/86/1324097386.db2.gz CUQPBKITMRUGOB-DLBZAZTESA-N 1 2 343.471 2.140 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)cccc1C ZINC001316601545 1324097391 /nfs/dbraw/zinc/09/73/91/1324097391.db2.gz CUQPBKITMRUGOB-DLBZAZTESA-N 1 2 343.471 2.140 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001208014866 1324266142 /nfs/dbraw/zinc/26/61/42/1324266142.db2.gz UNJRWUQEPORBJQ-HNNXBMFYSA-N 1 2 344.459 2.467 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccco2)C[C@H]1C ZINC001208458398 1324508239 /nfs/dbraw/zinc/50/82/39/1324508239.db2.gz HGJOLGFIXWDVEZ-BZUAXINKSA-N 1 2 347.459 2.250 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccco2)C[C@H]1C ZINC001208458398 1324508242 /nfs/dbraw/zinc/50/82/42/1324508242.db2.gz HGJOLGFIXWDVEZ-BZUAXINKSA-N 1 2 347.459 2.250 20 30 EEEDLO C=CCC1(C(=O)N2CCC[C@H]([NH2+]Cc3nc(CC)no3)C2)CCC1 ZINC001209504578 1324950728 /nfs/dbraw/zinc/95/07/28/1324950728.db2.gz SUTMJGLDGOFGDM-AWEZNQCLSA-N 1 2 332.448 2.459 20 30 EEEDLO COc1ccc(-c2nc(C[N@H+](C)CCNC(=O)[C@@H](C)C#N)co2)cc1 ZINC001492217462 1331092891 /nfs/dbraw/zinc/09/28/91/1331092891.db2.gz QWXKNBLZBOTXPO-ZDUSSCGKSA-N 1 2 342.399 2.058 20 30 EEEDLO COc1ccc(-c2nc(C[N@@H+](C)CCNC(=O)[C@@H](C)C#N)co2)cc1 ZINC001492217462 1331092896 /nfs/dbraw/zinc/09/28/96/1331092896.db2.gz QWXKNBLZBOTXPO-ZDUSSCGKSA-N 1 2 342.399 2.058 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2occc2C(C)C)C1 ZINC001316949648 1332010246 /nfs/dbraw/zinc/01/02/46/1332010246.db2.gz WPMJBXDAVGAFQK-LSDHHAIUSA-N 1 2 347.459 2.288 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2occc2C(C)C)C1 ZINC001316949648 1332010250 /nfs/dbraw/zinc/01/02/50/1332010250.db2.gz WPMJBXDAVGAFQK-LSDHHAIUSA-N 1 2 347.459 2.288 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)CC(C)C ZINC001338691290 1336894653 /nfs/dbraw/zinc/89/46/53/1336894653.db2.gz SRGMZPCKSWGOOA-HZPDHXFCSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)CC(C)C ZINC001338691290 1336894654 /nfs/dbraw/zinc/89/46/54/1336894654.db2.gz SRGMZPCKSWGOOA-HZPDHXFCSA-N 1 2 333.480 2.482 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3cc4ccccc4[nH]3)n2CC=C)CC1 ZINC001339557439 1337027684 /nfs/dbraw/zinc/02/76/84/1337027684.db2.gz RJFOBBPQVFMJNL-UHFFFAOYSA-N 1 2 346.438 2.368 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](COCC)C1 ZINC001340389052 1337174247 /nfs/dbraw/zinc/17/42/47/1337174247.db2.gz AKAOQFHHYPIQCR-JKSUJKDBSA-N 1 2 333.480 2.484 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](COCC)C1 ZINC001340389052 1337174249 /nfs/dbraw/zinc/17/42/49/1337174249.db2.gz AKAOQFHHYPIQCR-JKSUJKDBSA-N 1 2 333.480 2.484 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)C[C@@H](C)CC ZINC001340450490 1337186889 /nfs/dbraw/zinc/18/68/89/1337186889.db2.gz PHOMBQHNVNFVGL-HNNXBMFYSA-N 1 2 335.496 2.151 20 30 EEEDLO C=CCN(c1nnc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC)C1CC1 ZINC001341323186 1337289070 /nfs/dbraw/zinc/28/90/70/1337289070.db2.gz ZWOOJJWVDFACCI-HOTGVXAUSA-N 1 2 331.464 2.379 20 30 EEEDLO C=CCN(c1nnc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC)C1CC1 ZINC001341323186 1337289072 /nfs/dbraw/zinc/28/90/72/1337289072.db2.gz ZWOOJJWVDFACCI-HOTGVXAUSA-N 1 2 331.464 2.379 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1cccc(C)n1 ZINC001342416971 1337316283 /nfs/dbraw/zinc/31/62/83/1337316283.db2.gz XEMRFVXCPHDLIU-UHFFFAOYSA-N 1 2 337.431 2.128 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(C(C#N)(CC)CC)n2CC(=C)C)CC1 ZINC001356188288 1338807401 /nfs/dbraw/zinc/80/74/01/1338807401.db2.gz GYNANPYDSVJLOS-UHFFFAOYSA-N 1 2 340.475 2.191 20 30 EEEDLO N#Cc1cccc(-c2cc(C(=O)N[C@@H]3CCn4c[nH+]cc4C3)on2)c1 ZINC001570611290 1343091938 /nfs/dbraw/zinc/09/19/38/1343091938.db2.gz CSEJHKBAHXJOAP-CQSZACIVSA-N 1 2 333.351 2.155 20 30 EEEDLO Cc1cc(C(N)=[NH+]OCc2ccc(-c3nn[nH]n3)c(F)c2)ccc1F ZINC001605633727 1351205976 /nfs/dbraw/zinc/20/59/76/1351205976.db2.gz KDXUDARYVUNWDU-UHFFFAOYSA-N 1 2 344.325 2.290 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)nc1 ZINC001040198690 1367047516 /nfs/dbraw/zinc/04/75/16/1367047516.db2.gz VDGQOAPKPHRHIH-HXUWFJFHSA-N 1 2 338.455 2.013 20 30 EEEDLO Cc1cnc(C[N@H+]2CCC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)nc1 ZINC001040198690 1367047526 /nfs/dbraw/zinc/04/75/26/1367047526.db2.gz VDGQOAPKPHRHIH-HXUWFJFHSA-N 1 2 338.455 2.013 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2c(F)cccc2F)C1 ZINC001190095251 1368391577 /nfs/dbraw/zinc/39/15/77/1368391577.db2.gz RUSXGNJQQZVPCW-ZIAGYGMSSA-N 1 2 336.382 2.036 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2c(F)cccc2F)C1 ZINC001190095251 1368391581 /nfs/dbraw/zinc/39/15/81/1368391581.db2.gz RUSXGNJQQZVPCW-ZIAGYGMSSA-N 1 2 336.382 2.036 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(C)(C)CC)C1 ZINC001490445583 1369209417 /nfs/dbraw/zinc/20/94/17/1369209417.db2.gz DQBBRVUBCXPURZ-INIZCTEOSA-N 1 2 335.492 2.065 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(C)(C)CC)C1 ZINC001490445583 1369209426 /nfs/dbraw/zinc/20/94/26/1369209426.db2.gz DQBBRVUBCXPURZ-INIZCTEOSA-N 1 2 335.492 2.065 20 30 EEEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000852408206 1369269795 /nfs/dbraw/zinc/26/97/95/1369269795.db2.gz SUPHJFQEJDPIGG-LBPRGKRZSA-N 1 2 340.254 2.253 20 30 EEEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000852477637 1369275197 /nfs/dbraw/zinc/27/51/97/1369275197.db2.gz VALQPHKPSWSZOZ-CYBMUJFWSA-N 1 2 325.437 2.306 20 30 EEEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000852477637 1369275201 /nfs/dbraw/zinc/27/52/01/1369275201.db2.gz VALQPHKPSWSZOZ-CYBMUJFWSA-N 1 2 325.437 2.306 20 30 EEEDLO C[C@]1(c2ccccc2)CC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853523451 1369345495 /nfs/dbraw/zinc/34/54/95/1369345495.db2.gz DTBGHIXZZKOUTO-DNVCBOLYSA-N 1 2 325.412 2.286 20 30 EEEDLO C[C@]1(c2ccccc2)CC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853523451 1369345501 /nfs/dbraw/zinc/34/55/01/1369345501.db2.gz DTBGHIXZZKOUTO-DNVCBOLYSA-N 1 2 325.412 2.286 20 30 EEEDLO CCn1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)nn1 ZINC000886898208 1369698956 /nfs/dbraw/zinc/69/89/56/1369698956.db2.gz UVRDHHCYXALNKO-UHFFFAOYSA-N 1 2 338.415 2.020 20 30 EEEDLO C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1[nH]nc3ccccc31)C[C@@H](C)O2 ZINC001071237626 1370441346 /nfs/dbraw/zinc/44/13/46/1370441346.db2.gz ATMPVMPQWJGDRT-KUHUBIRLSA-N 1 2 340.427 2.054 20 30 EEEDLO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1[nH]nc3ccccc31)C[C@@H](C)O2 ZINC001071237626 1370441356 /nfs/dbraw/zinc/44/13/56/1370441356.db2.gz ATMPVMPQWJGDRT-KUHUBIRLSA-N 1 2 340.427 2.054 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2CCCCCC2=O)CC[C@@H]1C ZINC001072055476 1370603427 /nfs/dbraw/zinc/60/34/27/1370603427.db2.gz VDRSBEFFDFNRHA-GJZGRUSLSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2CCCCCC2=O)CC[C@@H]1C ZINC001072055476 1370603422 /nfs/dbraw/zinc/60/34/22/1370603422.db2.gz VDRSBEFFDFNRHA-GJZGRUSLSA-N 1 2 341.883 2.111 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1C(C)(C)C)C2 ZINC001111648631 1371199233 /nfs/dbraw/zinc/19/92/33/1371199233.db2.gz HKISCQZJIMIQPJ-KXBFYZLASA-N 1 2 345.491 2.470 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1C(C)(C)C)C2 ZINC001111648631 1371199236 /nfs/dbraw/zinc/19/92/36/1371199236.db2.gz HKISCQZJIMIQPJ-KXBFYZLASA-N 1 2 345.491 2.470 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(Nc2ccc(C#N)cn2)CCC1 ZINC001111917528 1371308211 /nfs/dbraw/zinc/30/82/11/1371308211.db2.gz DSFVDONRMCZDJX-CYBMUJFWSA-N 1 2 338.415 2.006 20 30 EEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(Nc2ccc(C#N)cn2)CCC1 ZINC001111917528 1371308219 /nfs/dbraw/zinc/30/82/19/1371308219.db2.gz DSFVDONRMCZDJX-CYBMUJFWSA-N 1 2 338.415 2.006 20 30 EEEDLO Cc1ccc(N2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)cc1 ZINC000784388697 1371402355 /nfs/dbraw/zinc/40/23/55/1371402355.db2.gz NMIMTDJBUJMPHE-UHFFFAOYSA-N 1 2 348.450 2.305 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cn1 ZINC001140541666 1372597975 /nfs/dbraw/zinc/59/79/75/1372597975.db2.gz PJOIKJNJCLJNGD-YQVWRLOYSA-N 1 2 336.395 2.159 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cn1 ZINC001140541666 1372597982 /nfs/dbraw/zinc/59/79/82/1372597982.db2.gz PJOIKJNJCLJNGD-YQVWRLOYSA-N 1 2 336.395 2.159 20 30 EEEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1cc(C)ncn1 ZINC001366712484 1374014894 /nfs/dbraw/zinc/01/48/94/1374014894.db2.gz CMIJXEAGECCVHB-UHFFFAOYSA-N 1 2 341.253 2.135 20 30 EEEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1cc(C)ncn1 ZINC001366712484 1374014896 /nfs/dbraw/zinc/01/48/96/1374014896.db2.gz CMIJXEAGECCVHB-UHFFFAOYSA-N 1 2 341.253 2.135 20 30 EEEDLO COCC[N@H+](CCNC(=O)[C@@H](C)C#N)[C@H](C)c1ccc(F)cc1F ZINC001369550381 1374567081 /nfs/dbraw/zinc/56/70/81/1374567081.db2.gz OKLYILGZVFZVNF-QWHCGFSZSA-N 1 2 339.386 2.250 20 30 EEEDLO COCC[N@@H+](CCNC(=O)[C@@H](C)C#N)[C@H](C)c1ccc(F)cc1F ZINC001369550381 1374567083 /nfs/dbraw/zinc/56/70/83/1374567083.db2.gz OKLYILGZVFZVNF-QWHCGFSZSA-N 1 2 339.386 2.250 20 30 EEEDLO Cc1cncc(CC(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)c1 ZINC001374521560 1376900661 /nfs/dbraw/zinc/90/06/61/1376900661.db2.gz JWXVURIOOQZEQX-UHFFFAOYSA-N 1 2 336.439 2.395 20 30 EEEDLO Cc1cncc(CC(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)c1 ZINC001374521560 1376900666 /nfs/dbraw/zinc/90/06/66/1376900666.db2.gz JWXVURIOOQZEQX-UHFFFAOYSA-N 1 2 336.439 2.395 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cccnc1N1CCCC1 ZINC001375072106 1377338940 /nfs/dbraw/zinc/33/89/40/1377338940.db2.gz LOQMDWGTPWFKFH-AWEZNQCLSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cccnc1N1CCCC1 ZINC001375072106 1377338944 /nfs/dbraw/zinc/33/89/44/1377338944.db2.gz LOQMDWGTPWFKFH-AWEZNQCLSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)Cc2cccnc2)C1 ZINC001375820495 1378028583 /nfs/dbraw/zinc/02/85/83/1378028583.db2.gz LGQBNXFZJDFIOS-HNNXBMFYSA-N 1 2 338.249 2.113 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)Cc2cccnc2)C1 ZINC001375820495 1378028582 /nfs/dbraw/zinc/02/85/82/1378028582.db2.gz LGQBNXFZJDFIOS-HNNXBMFYSA-N 1 2 338.249 2.113 20 30 EEEDLO CCCN(C(=O)[C@@H](C)C#N)C1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC001376176187 1378346340 /nfs/dbraw/zinc/34/63/40/1378346340.db2.gz BKTSSDHKNPXYGP-HNNXBMFYSA-N 1 2 343.475 2.192 20 30 EEEDLO CC(=O)CCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001378133556 1379730445 /nfs/dbraw/zinc/73/04/45/1379730445.db2.gz DJOFOOXRFZVIQR-QGZVFWFLSA-N 1 2 345.418 2.489 20 30 EEEDLO CC(=O)CCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001378133556 1379730449 /nfs/dbraw/zinc/73/04/49/1379730449.db2.gz DJOFOOXRFZVIQR-QGZVFWFLSA-N 1 2 345.418 2.489 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)COc2ccc(OC)cc2)C1 ZINC001381814596 1381824022 /nfs/dbraw/zinc/82/40/22/1381824022.db2.gz CTVWLHXOMBBBOO-CYBMUJFWSA-N 1 2 338.835 2.263 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)C1CC[NH+](CC(=O)NCc2ccco2)CC1 ZINC001752304418 1406271814 /nfs/dbraw/zinc/27/18/14/1406271814.db2.gz ORPXRODPFYVHPN-UHFFFAOYSA-N 1 2 347.459 2.031 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@@H+](Cc3ncc(C)cn3)C2)C1 ZINC001752786466 1406406695 /nfs/dbraw/zinc/40/66/95/1406406695.db2.gz SLNXIFJGWXOASN-MRXNPFEDSA-N 1 2 328.460 2.470 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@H+](Cc3ncc(C)cn3)C2)C1 ZINC001752786466 1406406700 /nfs/dbraw/zinc/40/67/00/1406406700.db2.gz SLNXIFJGWXOASN-MRXNPFEDSA-N 1 2 328.460 2.470 20 30 EEEDLO Cc1nc(C[N@@H+]2C[C@H](NC(=O)C#CC3CC3)C(C)(C)C2)c(C)s1 ZINC001755409224 1407422252 /nfs/dbraw/zinc/42/22/52/1407422252.db2.gz XOIAYFONLDSBCF-INIZCTEOSA-N 1 2 331.485 2.500 20 30 EEEDLO Cc1nc(C[N@H+]2C[C@H](NC(=O)C#CC3CC3)C(C)(C)C2)c(C)s1 ZINC001755409224 1407422257 /nfs/dbraw/zinc/42/22/57/1407422257.db2.gz XOIAYFONLDSBCF-INIZCTEOSA-N 1 2 331.485 2.500 20 30 EEEDLO CCc1cccc(C)c1NC(=O)C[N@H+](C)CCNC(=O)C#CC(C)C ZINC001753048628 1406636492 /nfs/dbraw/zinc/63/64/92/1406636492.db2.gz ZCGONZNFNOSAQT-UHFFFAOYSA-N 1 2 343.471 2.203 20 30 EEEDLO CCc1cccc(C)c1NC(=O)C[N@@H+](C)CCNC(=O)C#CC(C)C ZINC001753048628 1406636497 /nfs/dbraw/zinc/63/64/97/1406636497.db2.gz ZCGONZNFNOSAQT-UHFFFAOYSA-N 1 2 343.471 2.203 20 30 EEEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1c(Cl)oc2ccccc21 ZINC001753061995 1406655523 /nfs/dbraw/zinc/65/55/23/1406655523.db2.gz RHGQQEZOGZVDGG-UHFFFAOYSA-N 1 2 349.818 2.050 20 30 EEEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1c(Cl)oc2ccccc21 ZINC001753061995 1406655532 /nfs/dbraw/zinc/65/55/32/1406655532.db2.gz RHGQQEZOGZVDGG-UHFFFAOYSA-N 1 2 349.818 2.050 20 30 EEEDLO COC1(CC(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)CCC1 ZINC001399455745 1395112682 /nfs/dbraw/zinc/11/26/82/1395112682.db2.gz YMXNSDDVJBVBOH-UHFFFAOYSA-N 1 2 333.407 2.205 20 30 EEEDLO COC1(CC(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)CCC1 ZINC001399455745 1395112690 /nfs/dbraw/zinc/11/26/90/1395112690.db2.gz YMXNSDDVJBVBOH-UHFFFAOYSA-N 1 2 333.407 2.205 20 30 EEEDLO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](CC(=O)NCC3CC3)C2)CCCC1 ZINC001753450779 1406743618 /nfs/dbraw/zinc/74/36/18/1406743618.db2.gz UAJONNOAOWGWPQ-QGZVFWFLSA-N 1 2 347.503 2.182 20 30 EEEDLO C=CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)NCC3CC3)C2)CCCC1 ZINC001753450779 1406743627 /nfs/dbraw/zinc/74/36/27/1406743627.db2.gz UAJONNOAOWGWPQ-QGZVFWFLSA-N 1 2 347.503 2.182 20 30 EEEDLO CCc1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001401440905 1397323513 /nfs/dbraw/zinc/32/35/13/1397323513.db2.gz NCYHUWVSWUOVOM-CYBMUJFWSA-N 1 2 327.436 2.088 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)Cc1ccccc1Cl ZINC001754496612 1406918949 /nfs/dbraw/zinc/91/89/49/1406918949.db2.gz WBBCTZABDGGNGW-NVXWUHKLSA-N 1 2 348.874 2.359 20 30 EEEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)Cc1ccccc1Cl ZINC001754496612 1406918955 /nfs/dbraw/zinc/91/89/55/1406918955.db2.gz WBBCTZABDGGNGW-NVXWUHKLSA-N 1 2 348.874 2.359 20 30 EEEDLO C=CC[C@@H](C(=O)NCC1([NH2+]Cc2cnon2)CC1)c1ccccc1 ZINC001754534009 1406920616 /nfs/dbraw/zinc/92/06/16/1406920616.db2.gz BWMMZQSMXLBBNC-MRXNPFEDSA-N 1 2 326.400 2.168 20 30 EEEDLO C=C(Cl)CN(C)CCCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001402646509 1398116978 /nfs/dbraw/zinc/11/69/78/1398116978.db2.gz UBEGBMNNCKLXBO-UHFFFAOYSA-N 1 2 347.850 2.414 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C1(NC(C)=O)CCCC1 ZINC001402746676 1398169267 /nfs/dbraw/zinc/16/92/67/1398169267.db2.gz GHTREIAWGRBJLX-OAHLLOKOSA-N 1 2 341.883 2.159 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1(NC(C)=O)CCCC1 ZINC001402746676 1398169272 /nfs/dbraw/zinc/16/92/72/1398169272.db2.gz GHTREIAWGRBJLX-OAHLLOKOSA-N 1 2 341.883 2.159 20 30 EEEDLO C=C1CC(C)(C(=O)N(CCO)CC[NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001754891752 1406978645 /nfs/dbraw/zinc/97/86/45/1406978645.db2.gz WSYLAZLFQZMLFC-UHFFFAOYSA-N 1 2 349.475 2.239 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(-n2cnnc2)cc1 ZINC001422912144 1400269096 /nfs/dbraw/zinc/26/90/96/1400269096.db2.gz XGMGATOQTHABMN-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(-n2cnnc2)cc1 ZINC001422912144 1400269101 /nfs/dbraw/zinc/26/91/01/1400269101.db2.gz XGMGATOQTHABMN-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccccc1C(=O)N(C)C ZINC001422916931 1400273125 /nfs/dbraw/zinc/27/31/25/1400273125.db2.gz BQIKUEDVVOLERR-ZDUSSCGKSA-N 1 2 337.851 2.191 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccccc1C(=O)N(C)C ZINC001422916931 1400273130 /nfs/dbraw/zinc/27/31/30/1400273130.db2.gz BQIKUEDVVOLERR-ZDUSSCGKSA-N 1 2 337.851 2.191 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H](C)OCc3ccncc3)cc2C1 ZINC001755102289 1407116128 /nfs/dbraw/zinc/11/61/28/1407116128.db2.gz PIAWDNRLLLPSLM-MRXNPFEDSA-N 1 2 349.434 2.252 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C)OCc3ccncc3)cc2C1 ZINC001755102289 1407116130 /nfs/dbraw/zinc/11/61/30/1407116130.db2.gz PIAWDNRLLLPSLM-MRXNPFEDSA-N 1 2 349.434 2.252 20 30 EEEDLO C=C1CC(C)(C(=O)NCc2ccc3c(c2)C[N@H+]([C@@H](CC)C(N)=O)C3)C1 ZINC001755102360 1407116138 /nfs/dbraw/zinc/11/61/38/1407116138.db2.gz REWBLIXURUDDHS-KRWDZBQOSA-N 1 2 341.455 2.239 20 30 EEEDLO C=C1CC(C)(C(=O)NCc2ccc3c(c2)C[N@@H+]([C@@H](CC)C(N)=O)C3)C1 ZINC001755102360 1407116143 /nfs/dbraw/zinc/11/61/43/1407116143.db2.gz REWBLIXURUDDHS-KRWDZBQOSA-N 1 2 341.455 2.239 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)COC ZINC001424702073 1401230781 /nfs/dbraw/zinc/23/07/81/1401230781.db2.gz KPAVNPFHRFIHIV-CYBMUJFWSA-N 1 2 347.297 2.490 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)COC ZINC001424702073 1401230788 /nfs/dbraw/zinc/23/07/88/1401230788.db2.gz KPAVNPFHRFIHIV-CYBMUJFWSA-N 1 2 347.297 2.490 20 30 EEEDLO C=CCOCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC001755189827 1407197622 /nfs/dbraw/zinc/19/76/22/1407197622.db2.gz TXQYOKUNYRDJFS-OAHLLOKOSA-N 1 2 347.459 2.179 20 30 EEEDLO C=CCOCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC001755189827 1407197627 /nfs/dbraw/zinc/19/76/27/1407197627.db2.gz TXQYOKUNYRDJFS-OAHLLOKOSA-N 1 2 347.459 2.179 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001567766737 1403505694 /nfs/dbraw/zinc/50/56/94/1403505694.db2.gz CJJFHMGBRZABCJ-OAHLLOKOSA-N 1 2 337.508 2.332 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001567766737 1403505697 /nfs/dbraw/zinc/50/56/97/1403505697.db2.gz CJJFHMGBRZABCJ-OAHLLOKOSA-N 1 2 337.508 2.332 20 30 EEEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC001755343579 1407341587 /nfs/dbraw/zinc/34/15/87/1407341587.db2.gz GSNMDSACDHYWIC-UHFFFAOYSA-N 1 2 339.439 2.424 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1CCCCC[N@@H+]1CC(=O)Nc1ccon1 ZINC001755363083 1407360447 /nfs/dbraw/zinc/36/04/47/1407360447.db2.gz BMPZPTVLYBYACN-OAHLLOKOSA-N 1 2 348.447 2.330 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1CCCCC[N@H+]1CC(=O)Nc1ccon1 ZINC001755363083 1407360453 /nfs/dbraw/zinc/36/04/53/1407360453.db2.gz BMPZPTVLYBYACN-OAHLLOKOSA-N 1 2 348.447 2.330 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H]1CCCCC[N@H+]1Cc1nc(N(C)C)no1 ZINC001755364364 1407363621 /nfs/dbraw/zinc/36/36/21/1407363621.db2.gz TYVNHVYZDRNWMY-HNNXBMFYSA-N 1 2 349.479 2.353 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1nc(N(C)C)no1 ZINC001755364364 1407363626 /nfs/dbraw/zinc/36/36/26/1407363626.db2.gz TYVNHVYZDRNWMY-HNNXBMFYSA-N 1 2 349.479 2.353 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@@H]2[C@H]3C[N@H+]([C@H](C)c4nnc(CC)[nH]4)C[C@H]32)C1 ZINC001755430804 1407447589 /nfs/dbraw/zinc/44/75/89/1407447589.db2.gz GHHSIQLOEFORKX-TUVASFSCSA-N 1 2 343.475 2.078 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H](C)c4nnc(CC)[nH]4)C[C@H]32)C1 ZINC001755430804 1407447593 /nfs/dbraw/zinc/44/75/93/1407447593.db2.gz GHHSIQLOEFORKX-TUVASFSCSA-N 1 2 343.475 2.078 20 30 EEEDLO CC#CCCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(C(C)C)no2)[C@H]1C ZINC001755660073 1407711335 /nfs/dbraw/zinc/71/13/35/1407711335.db2.gz XNTGNTACSKIQAJ-HUUCEWRRSA-N 1 2 332.448 2.466 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@@]3(NC(=O)CSCC#N)CCC[C@H]23)oc1C ZINC001755696162 1407742226 /nfs/dbraw/zinc/74/22/26/1407742226.db2.gz WRZVUUQWDNFDDB-YOEHRIQHSA-N 1 2 348.472 2.161 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@@]3(NC(=O)CSCC#N)CCC[C@H]23)oc1C ZINC001755696162 1407742231 /nfs/dbraw/zinc/74/22/31/1407742231.db2.gz WRZVUUQWDNFDDB-YOEHRIQHSA-N 1 2 348.472 2.161 20 30 EEEDLO CC#CCCCC(=O)N1C[C@H]([NH2+]Cc2nc(C3CC3)no2)C(C)(C)C1 ZINC001755775241 1407834516 /nfs/dbraw/zinc/83/45/16/1407834516.db2.gz OVEVIRJNQQRHIV-HNNXBMFYSA-N 1 2 344.459 2.467 20 30 EEEDLO C=CCCC(=O)NC1(C2CC[NH+](Cc3cnn(CC)n3)CC2)CC1 ZINC001755867303 1407918951 /nfs/dbraw/zinc/91/89/51/1407918951.db2.gz GZDUPFZVCIDBPB-UHFFFAOYSA-N 1 2 331.464 2.125 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC1=CC[N@H+](Cc2cncc(OC)n2)CC1 ZINC001755892801 1407960401 /nfs/dbraw/zinc/96/04/01/1407960401.db2.gz WNKAREOAGAESMH-LJQANCHMSA-N 1 2 344.459 2.336 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC1=CC[N@@H+](Cc2cncc(OC)n2)CC1 ZINC001755892801 1407960404 /nfs/dbraw/zinc/96/04/04/1407960404.db2.gz WNKAREOAGAESMH-LJQANCHMSA-N 1 2 344.459 2.336 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)C1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001755984754 1408054596 /nfs/dbraw/zinc/05/45/96/1408054596.db2.gz SOBOYEZHXNMCIB-UHFFFAOYSA-N 1 2 346.475 2.371 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001756040766 1408100209 /nfs/dbraw/zinc/10/02/09/1408100209.db2.gz UATIEGJIVSHUNX-HUUCEWRRSA-N 1 2 346.475 2.011 20 30 EEEDLO C=CCC1(C(=O)N(C)C[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001756470819 1408667058 /nfs/dbraw/zinc/66/70/58/1408667058.db2.gz MQUKQPKQOULKRX-CQSZACIVSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001756475859 1408726875 /nfs/dbraw/zinc/72/68/75/1408726875.db2.gz MDDGNBALNIISLA-GJZGRUSLSA-N 1 2 346.475 2.011 20 30 EEEDLO C=C(C)CCC(=O)N1CC=C(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001756769123 1409303847 /nfs/dbraw/zinc/30/38/47/1409303847.db2.gz SCFLGPHCHUVEQN-MRXNPFEDSA-N 1 2 344.459 2.465 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001757268492 1409605165 /nfs/dbraw/zinc/60/51/65/1409605165.db2.gz JHEVZYJQYMYUOA-ARFHVFGLSA-N 1 2 332.448 2.029 20 30 EEEDLO CN(CCNc1ccc(C#N)cn1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001101758629 1410717322 /nfs/dbraw/zinc/71/73/22/1410717322.db2.gz AJTIQPGIAZQUQM-UHFFFAOYSA-N 1 2 346.394 2.323 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001104164566 1410798759 /nfs/dbraw/zinc/79/87/59/1410798759.db2.gz XNUYRUHGOQBXGO-OCCSQVGLSA-N 1 2 334.468 2.013 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCCNc1cc[nH+]c(C)n1 ZINC001115096248 1410969591 /nfs/dbraw/zinc/96/95/91/1410969591.db2.gz QRZHGJSEDFRSOH-IMJJTQAJSA-N 1 2 332.448 2.463 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001032014650 782350006 /nfs/dbraw/zinc/35/00/06/782350006.db2.gz HBDMHXYDFBNRLU-UHFFFAOYSA-N 1 2 331.847 2.477 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cc(C2CC2)no1 ZINC001032016915 782370990 /nfs/dbraw/zinc/37/09/90/782370990.db2.gz YXCGDTWDHCWHKO-UHFFFAOYSA-N 1 2 335.407 2.265 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001104234464 757373000 /nfs/dbraw/zinc/37/30/00/757373000.db2.gz YYXLQHFOIHYGLB-LBPRGKRZSA-N 1 2 330.436 2.130 20 30 EEEDLO Cc1cc(C)c(C(=O)NC[C@H](C)CNc2ccc(C#N)nn2)c(C)[nH+]1 ZINC001104273777 757818986 /nfs/dbraw/zinc/81/89/86/757818986.db2.gz AIPNRIZWEHGFPF-LLVKDONJSA-N 1 2 338.415 2.147 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4c(s3)CCCC4)[C@H]2C1 ZINC001083265796 761298936 /nfs/dbraw/zinc/29/89/36/761298936.db2.gz RGQDTUOQUSSGOS-LSDHHAIUSA-N 1 2 332.469 2.338 20 30 EEEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4c(s3)CCCC4)[C@H]2C1 ZINC001083265796 761298942 /nfs/dbraw/zinc/29/89/42/761298942.db2.gz RGQDTUOQUSSGOS-LSDHHAIUSA-N 1 2 332.469 2.338 20 30 EEEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782634140 761555071 /nfs/dbraw/zinc/55/50/71/761555071.db2.gz QQMOPLIQFVIGGH-LMOGGQPPSA-N 1 2 326.440 2.181 20 30 EEEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782634140 761555073 /nfs/dbraw/zinc/55/50/73/761555073.db2.gz QQMOPLIQFVIGGH-LMOGGQPPSA-N 1 2 326.440 2.181 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)c2nnc(C)[nH]2)C1 ZINC001112068297 765699042 /nfs/dbraw/zinc/69/90/42/765699042.db2.gz RMAILCIARDJXJN-MVWJERBFSA-N 1 2 345.369 2.119 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@H](CNc1cc[nH+]c(C)n1)C1CCCCC1 ZINC001105020896 768887837 /nfs/dbraw/zinc/88/78/37/768887837.db2.gz SAGPNPLCYSGIDF-WMLDXEAASA-N 1 2 344.459 2.300 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nccc(C)n3)C[C@@H]2C)cc1 ZINC000942552207 782704587 /nfs/dbraw/zinc/70/45/87/782704587.db2.gz CKWCFVNCDJMYBG-KXBFYZLASA-N 1 2 348.450 2.407 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nccc(C)n3)C[C@@H]2C)cc1 ZINC000942552207 782704592 /nfs/dbraw/zinc/70/45/92/782704592.db2.gz CKWCFVNCDJMYBG-KXBFYZLASA-N 1 2 348.450 2.407 20 30 EEEDLO CC1(C)CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)C1 ZINC001083757127 769135832 /nfs/dbraw/zinc/13/58/32/769135832.db2.gz AQTGATLGVCXBPD-MAZHCROVSA-N 1 2 347.484 2.107 20 30 EEEDLO CC1(C)CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)C1 ZINC001083757127 769135840 /nfs/dbraw/zinc/13/58/40/769135840.db2.gz AQTGATLGVCXBPD-MAZHCROVSA-N 1 2 347.484 2.107 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001060721555 769302073 /nfs/dbraw/zinc/30/20/73/769302073.db2.gz USWFYNSPHVTZNO-SHTZXODSSA-N 1 2 346.475 2.346 20 30 EEEDLO Cc1ccc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)o1 ZINC001031534996 769457199 /nfs/dbraw/zinc/45/71/99/769457199.db2.gz JMQAJMLYUVQGLY-UHFFFAOYSA-N 1 2 326.371 2.440 20 30 EEEDLO Cc1cc(C(=O)NCC2C[NH+](CC#Cc3cccc(Cl)c3)C2)no1 ZINC001031537253 769469599 /nfs/dbraw/zinc/46/95/99/769469599.db2.gz OYMKJLGOURTEKU-UHFFFAOYSA-N 1 2 343.814 2.350 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@@H](Nc2[nH+]cnc3c2cnn3C)C(C)C)C1 ZINC001105284908 769570352 /nfs/dbraw/zinc/57/03/52/769570352.db2.gz WTXDPOXTEFTNEH-CQSZACIVSA-N 1 2 342.447 2.272 20 30 EEEDLO C=CCC1(C(=O)N2CC(n3cc(C[NH2+]C[C@H](F)CC)nn3)C2)CCC1 ZINC001105322601 769710944 /nfs/dbraw/zinc/71/09/44/769710944.db2.gz WZVISEMIGLTJLY-CQSZACIVSA-N 1 2 349.454 2.246 20 30 EEEDLO C[C@H](C[C@H](C)Nc1ncc(C#N)cc1Cl)NC(=O)Cc1c[nH]c[nH+]1 ZINC001089489008 769768963 /nfs/dbraw/zinc/76/89/63/769768963.db2.gz FFHAZUAHDNNPCT-MNOVXSKESA-N 1 2 346.822 2.268 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](CNc1ncccc1C#N)C(C)(C)C ZINC001125963668 769781489 /nfs/dbraw/zinc/78/14/89/769781489.db2.gz JXEJCCCUIKDVHY-OAHLLOKOSA-N 1 2 340.431 2.170 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](CNc2cc[nH+]c(C)n2)C(C)(C)C)cn1 ZINC001125968179 769802132 /nfs/dbraw/zinc/80/21/32/769802132.db2.gz JAZBHKLYFCWPEH-MRXNPFEDSA-N 1 2 337.427 2.418 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NCC2C[NH+](Cc3ccc(F)c(F)c3)C2)c1 ZINC001031603220 770073026 /nfs/dbraw/zinc/07/30/26/770073026.db2.gz LLHGSJSAXQFZCL-UHFFFAOYSA-N 1 2 330.338 2.026 20 30 EEEDLO C=CCC(CC=C)C(=O)NC[C@H]1CN(c2cc[nH+]c(C)n2)CCCO1 ZINC001089547993 770241914 /nfs/dbraw/zinc/24/19/14/770241914.db2.gz ZWVPLDLNUBLWEW-KRWDZBQOSA-N 1 2 344.459 2.265 20 30 EEEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)c1[nH]ncc1F ZINC000942600736 782827282 /nfs/dbraw/zinc/82/72/82/782827282.db2.gz UOOWBYXRVWXBIC-PBHICJAKSA-N 1 2 340.402 2.041 20 30 EEEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)c1[nH]ncc1F ZINC000942600736 782827290 /nfs/dbraw/zinc/82/72/90/782827290.db2.gz UOOWBYXRVWXBIC-PBHICJAKSA-N 1 2 340.402 2.041 20 30 EEEDLO N#Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(F)cc3F)C2)c[nH]1 ZINC001031622531 770343720 /nfs/dbraw/zinc/34/37/20/770343720.db2.gz SZWKNFAOWWRMQN-UHFFFAOYSA-N 1 2 330.338 2.026 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(CC)n3C)C[C@H]2C)C1 ZINC000942602771 782835845 /nfs/dbraw/zinc/83/58/45/782835845.db2.gz NPOWUFNMWRHMDM-CABCVRRESA-N 1 2 345.491 2.060 20 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C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)oc2C(F)(F)F)C1 ZINC001035528568 784678716 /nfs/dbraw/zinc/67/87/16/784678716.db2.gz FGAUADFCOPXKIJ-LBPRGKRZSA-N 1 2 344.333 2.061 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)oc2C(F)(F)F)C1 ZINC001035528568 784678723 /nfs/dbraw/zinc/67/87/23/784678723.db2.gz FGAUADFCOPXKIJ-LBPRGKRZSA-N 1 2 344.333 2.061 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc3cc(F)ccc3o2)C1 ZINC001035535246 784692540 /nfs/dbraw/zinc/69/25/40/784692540.db2.gz NPEIJCWLHAEQBE-HNNXBMFYSA-N 1 2 330.359 2.026 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc3cc(F)ccc3o2)C1 ZINC001035535246 784692546 /nfs/dbraw/zinc/69/25/46/784692546.db2.gz NPEIJCWLHAEQBE-HNNXBMFYSA-N 1 2 330.359 2.026 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(CCCC)c2CC)C1 ZINC001035571997 784706559 /nfs/dbraw/zinc/70/65/59/784706559.db2.gz OCYRZKWKDHKSAN-INIZCTEOSA-N 1 2 348.491 2.252 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnn(CCCC)c2CC)C1 ZINC001035571997 784706565 /nfs/dbraw/zinc/70/65/65/784706565.db2.gz OCYRZKWKDHKSAN-INIZCTEOSA-N 1 2 348.491 2.252 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3cccnc3c2)C1 ZINC001035552520 784721842 /nfs/dbraw/zinc/72/18/42/784721842.db2.gz XGNYNQJOYKPICP-KRWDZBQOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc3cccnc3c2)C1 ZINC001035552520 784721850 /nfs/dbraw/zinc/72/18/50/784721850.db2.gz XGNYNQJOYKPICP-KRWDZBQOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(COC(C)C)cc2)C1 ZINC001035601739 784761832 /nfs/dbraw/zinc/76/18/32/784761832.db2.gz ZWRZSXCHILMPLN-GOSISDBHSA-N 1 2 332.444 2.228 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(COC(C)C)cc2)C1 ZINC001035601739 784761839 /nfs/dbraw/zinc/76/18/39/784761839.db2.gz ZWRZSXCHILMPLN-GOSISDBHSA-N 1 2 332.444 2.228 20 30 EEEDLO CSCC(=O)N1CCC2(C[NH+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001035644237 784908207 /nfs/dbraw/zinc/90/82/07/784908207.db2.gz USHWNJIMIQEUQR-UHFFFAOYSA-N 1 2 347.459 2.485 20 30 EEEDLO O=C(C#CC1CC1)N1CCC2(C[NH+](Cc3ccc(F)cn3)C2)CC1 ZINC001035701904 784981257 /nfs/dbraw/zinc/98/12/57/784981257.db2.gz FDOPNNSVPHGBJQ-UHFFFAOYSA-N 1 2 327.403 2.059 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCc3c[nH]nc3C1)CC2 ZINC001035852905 785241236 /nfs/dbraw/zinc/24/12/36/785241236.db2.gz HODKIYHSUTVKDL-CQSZACIVSA-N 1 2 348.878 2.192 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(F)cc1OCC(F)F ZINC000819466302 785572919 /nfs/dbraw/zinc/57/29/19/785572919.db2.gz OHAIFGNSZODTFH-LBPRGKRZSA-N 1 2 331.338 2.088 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(F)cc1OCC(F)F ZINC000819466302 785572925 /nfs/dbraw/zinc/57/29/25/785572925.db2.gz OHAIFGNSZODTFH-LBPRGKRZSA-N 1 2 331.338 2.088 20 30 EEEDLO C#C[C@H](NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000820560411 785973671 /nfs/dbraw/zinc/97/36/71/785973671.db2.gz UUGGANQSJNCZJF-PBHICJAKSA-N 1 2 349.862 2.376 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@]3(C)CCC[C@@H]3CC)nn2)C1 ZINC001107182739 786243195 /nfs/dbraw/zinc/24/31/95/786243195.db2.gz ZCSROLPWKNQFMG-KSSFIOAISA-N 1 2 331.464 2.153 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnnn1CC ZINC001109592619 805728115 /nfs/dbraw/zinc/72/81/15/805728115.db2.gz XWTDLNMTROVMOC-KBMXLJTQSA-N 1 2 331.464 2.122 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnnn1CC ZINC001109592619 805728117 /nfs/dbraw/zinc/72/81/17/805728117.db2.gz XWTDLNMTROVMOC-KBMXLJTQSA-N 1 2 331.464 2.122 20 30 EEEDLO C#CCCCS(=O)(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000710325395 786978298 /nfs/dbraw/zinc/97/82/98/786978298.db2.gz BFPWTWCGLUVNBO-UHFFFAOYSA-N 1 2 334.485 2.326 20 30 EEEDLO C#CCCCS(=O)(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000710325395 786978301 /nfs/dbraw/zinc/97/83/01/786978301.db2.gz BFPWTWCGLUVNBO-UHFFFAOYSA-N 1 2 334.485 2.326 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC/C=C/CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107462477 787312028 /nfs/dbraw/zinc/31/20/28/787312028.db2.gz QTEIUVIFNHMWFX-NFAHFFEMSA-N 1 2 343.475 2.151 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC/C=C/CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107462477 787312042 /nfs/dbraw/zinc/31/20/42/787312042.db2.gz QTEIUVIFNHMWFX-NFAHFFEMSA-N 1 2 343.475 2.151 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCC ZINC001109634629 805783616 /nfs/dbraw/zinc/78/36/16/805783616.db2.gz SCWVRKIJLLLOLK-NCOADZHNSA-N 1 2 335.492 2.227 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCC ZINC001109634629 805783619 /nfs/dbraw/zinc/78/36/19/805783619.db2.gz SCWVRKIJLLLOLK-NCOADZHNSA-N 1 2 335.492 2.227 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001062237426 787695909 /nfs/dbraw/zinc/69/59/09/787695909.db2.gz QJQWHFFSWWPWIR-MRXNPFEDSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001062237426 787695916 /nfs/dbraw/zinc/69/59/16/787695916.db2.gz QJQWHFFSWWPWIR-MRXNPFEDSA-N 1 2 346.475 2.442 20 30 EEEDLO C[C@@H](CC(=O)N(C)CCCNc1ccc(C#N)nc1)n1cc[nH+]c1 ZINC001109637392 805813902 /nfs/dbraw/zinc/81/39/02/805813902.db2.gz RCXADAZGTYSSBU-AWEZNQCLSA-N 1 2 326.404 2.061 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001062292572 787801543 /nfs/dbraw/zinc/80/15/43/787801543.db2.gz HDXNIBIXLVFTRO-GDBMZVCRSA-N 1 2 346.475 2.360 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001062364504 787971004 /nfs/dbraw/zinc/97/10/04/787971004.db2.gz XDIIVYXBNCGJOR-GOEBONIOSA-N 1 2 332.448 2.052 20 30 EEEDLO Cc1cc(NC[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)nc(C(C)C)[nH+]1 ZINC001107677063 788030656 /nfs/dbraw/zinc/03/06/56/788030656.db2.gz OXDVADMMYDPHKS-GFCCVEGCSA-N 1 2 326.404 2.339 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3cccc(F)n3)CC2)cc1C#N ZINC000824810098 788311797 /nfs/dbraw/zinc/31/17/97/788311797.db2.gz CDWUCHDDHLNTHK-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc3cccc(OC)c3o2)C1 ZINC001108167809 788546376 /nfs/dbraw/zinc/54/63/76/788546376.db2.gz RGLWPMOHKTZSDT-IBGZPJMESA-N 1 2 344.411 2.448 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc3cccc(OC)c3o2)C1 ZINC001108167809 788546384 /nfs/dbraw/zinc/54/63/84/788546384.db2.gz RGLWPMOHKTZSDT-IBGZPJMESA-N 1 2 344.411 2.448 20 30 EEEDLO C[C@H](C#N)C(=O)NC[C@@]1(C)C[N@H+](CCCCC(F)(F)F)CCO1 ZINC001107822009 788581575 /nfs/dbraw/zinc/58/15/75/788581575.db2.gz ZIZZVSQZRWMIAA-OCCSQVGLSA-N 1 2 335.370 2.086 20 30 EEEDLO C[C@H](C#N)C(=O)NC[C@@]1(C)C[N@@H+](CCCCC(F)(F)F)CCO1 ZINC001107822009 788581580 /nfs/dbraw/zinc/58/15/80/788581580.db2.gz ZIZZVSQZRWMIAA-OCCSQVGLSA-N 1 2 335.370 2.086 20 30 EEEDLO C[C@@]1(CNC(=O)/C=C\C2CC2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107842280 788712462 /nfs/dbraw/zinc/71/24/62/788712462.db2.gz YXDGVERABZQOIU-ZTBDEIDFSA-N 1 2 339.439 2.232 20 30 EEEDLO C[C@@]1(CNC(=O)/C=C\C2CC2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107842280 788712471 /nfs/dbraw/zinc/71/24/71/788712471.db2.gz YXDGVERABZQOIU-ZTBDEIDFSA-N 1 2 339.439 2.232 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1OC ZINC001090919782 788983440 /nfs/dbraw/zinc/98/34/40/788983440.db2.gz LJMNLJZGMDYFKU-HZPDHXFCSA-N 1 2 344.459 2.339 20 30 EEEDLO C=CC[C@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1CC(=O)OC ZINC001144016979 789156850 /nfs/dbraw/zinc/15/68/50/789156850.db2.gz DHMICCDLSLOOOZ-WMZOPIPTSA-N 1 2 344.455 2.475 20 30 EEEDLO C=CC[C@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1CC(=O)OC ZINC001144016979 789156855 /nfs/dbraw/zinc/15/68/55/789156855.db2.gz DHMICCDLSLOOOZ-WMZOPIPTSA-N 1 2 344.455 2.475 20 30 EEEDLO Cn1cc2c(n1)C[N@@H+](Cc1cncc(C#N)c1)C[C@H]2COCC1CC1 ZINC001144075356 789210494 /nfs/dbraw/zinc/21/04/94/789210494.db2.gz OJZGIFLTMKQNFE-KRWDZBQOSA-N 1 2 337.427 2.213 20 30 EEEDLO Cn1cc2c(n1)C[N@H+](Cc1cncc(C#N)c1)C[C@H]2COCC1CC1 ZINC001144075356 789210501 /nfs/dbraw/zinc/21/05/01/789210501.db2.gz OJZGIFLTMKQNFE-KRWDZBQOSA-N 1 2 337.427 2.213 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)CCCC#CC)CC2)C1 ZINC001105721379 789244667 /nfs/dbraw/zinc/24/46/67/789244667.db2.gz ZTMCHULOMKCLOY-UHFFFAOYSA-N 1 2 348.487 2.074 20 30 EEEDLO Cc1nsc(NC[C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)c1C#N ZINC001060267356 789271327 /nfs/dbraw/zinc/27/13/27/789271327.db2.gz AYFTUGFKIXLVSW-LBPRGKRZSA-N 1 2 344.444 2.082 20 30 EEEDLO COc1cccc(C[N@@H+]2CCO[C@@](C)(CNC(=O)C#CC(C)C)C2)c1 ZINC001107926696 789336224 /nfs/dbraw/zinc/33/62/24/789336224.db2.gz MVSSGPCBJWBIKZ-FQEVSTJZSA-N 1 2 344.455 2.062 20 30 EEEDLO COc1cccc(C[N@H+]2CCO[C@@](C)(CNC(=O)C#CC(C)C)C2)c1 ZINC001107926696 789336233 /nfs/dbraw/zinc/33/62/33/789336233.db2.gz MVSSGPCBJWBIKZ-FQEVSTJZSA-N 1 2 344.455 2.062 20 30 EEEDLO Cc1cc(C)c(C(=O)NCC[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)c(C)[nH+]1 ZINC001060286835 789625355 /nfs/dbraw/zinc/62/53/55/789625355.db2.gz UAGSFGFEWFXIBQ-BBRMVZONSA-N 1 2 342.443 2.135 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)CNc3ccc(C#N)c(C)n3)ccn12 ZINC001107943171 789635256 /nfs/dbraw/zinc/63/52/56/789635256.db2.gz KZKKQIGLPMZENR-GFCCVEGCSA-N 1 2 348.410 2.448 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCc2csc(C)n2)C1 ZINC001107947516 789694306 /nfs/dbraw/zinc/69/43/06/789694306.db2.gz MHVYNFTYESWLDT-GOSISDBHSA-N 1 2 349.500 2.005 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCCc2csc(C)n2)C1 ZINC001107947516 789694313 /nfs/dbraw/zinc/69/43/13/789694313.db2.gz MHVYNFTYESWLDT-GOSISDBHSA-N 1 2 349.500 2.005 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnccc1C ZINC001032447697 789778762 /nfs/dbraw/zinc/77/87/62/789778762.db2.gz UIJQSEBSMSZFKO-ROUUACIJSA-N 1 2 336.439 2.476 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnccc1C ZINC001032447697 789778769 /nfs/dbraw/zinc/77/87/69/789778769.db2.gz UIJQSEBSMSZFKO-ROUUACIJSA-N 1 2 336.439 2.476 20 30 EEEDLO COc1ccccc1NC(=O)[C@@H](C#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845443570 789780199 /nfs/dbraw/zinc/78/01/99/789780199.db2.gz ZGLZBVHNTDBLCX-STQMWFEESA-N 1 2 326.356 2.190 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC1CCCC1)C2 ZINC001109794991 806001185 /nfs/dbraw/zinc/00/11/85/806001185.db2.gz RPYVFGVGCONTCU-BGTYHANMSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC1CCCC1)C2 ZINC001109794991 806001191 /nfs/dbraw/zinc/00/11/91/806001191.db2.gz RPYVFGVGCONTCU-BGTYHANMSA-N 1 2 347.503 2.227 20 30 EEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)C1 ZINC001030302292 790001007 /nfs/dbraw/zinc/00/10/07/790001007.db2.gz FIAYRHVJHORICF-DOTOQJQBSA-N 1 2 330.428 2.184 20 30 EEEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@@H](CC)OCC)C2)C1 ZINC001147094046 791696251 /nfs/dbraw/zinc/69/62/51/791696251.db2.gz BHGCEBYBFLVSHV-CYBMUJFWSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)OCC)C2)C1 ZINC001147094046 791696257 /nfs/dbraw/zinc/69/62/57/791696257.db2.gz BHGCEBYBFLVSHV-CYBMUJFWSA-N 1 2 345.281 2.244 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@H](Nc3cc[nH+]c(C)n3)[C@H](C)C2)c1 ZINC001063797621 791746512 /nfs/dbraw/zinc/74/65/12/791746512.db2.gz SABDAGWUMWWIEQ-DYVFJYSZSA-N 1 2 335.411 2.124 20 30 EEEDLO CC(C)C[C@@H](C(=O)N[C@H](C)CNc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001107978698 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C=C(C)[C@@H](CC(=O)N1CC2(C1)CC[N@H+](Cc1cc(C)on1)C2)OCC ZINC001147647104 791897621 /nfs/dbraw/zinc/89/76/21/791897621.db2.gz MRDJBLDNDFTSDG-QGZVFWFLSA-N 1 2 347.459 2.389 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(C)on1)C2)OCC ZINC001147647104 791897630 /nfs/dbraw/zinc/89/76/30/791897630.db2.gz MRDJBLDNDFTSDG-QGZVFWFLSA-N 1 2 347.459 2.389 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C)cn1)C2 ZINC001147652192 791901808 /nfs/dbraw/zinc/90/18/08/791901808.db2.gz DFDCDUPUZDAVIJ-UHFFFAOYSA-N 1 2 328.460 2.422 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C)cn1)C2 ZINC001147652192 791901814 /nfs/dbraw/zinc/90/18/14/791901814.db2.gz DFDCDUPUZDAVIJ-UHFFFAOYSA-N 1 2 328.460 2.422 20 30 EEEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)NCCCOC1CCCCC1 ZINC000174118014 791965709 /nfs/dbraw/zinc/96/57/09/791965709.db2.gz SSECEFQBKZWGBA-UHFFFAOYSA-N 1 2 347.459 2.374 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nn(CC)nc1C)C2 ZINC001148095053 792145588 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334.489 2.339 20 30 EEEDLO C=CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1cn(C(C)C)nn1)C2 ZINC001148193984 792209436 /nfs/dbraw/zinc/20/94/36/792209436.db2.gz ORHQTVZCWGYTOV-UHFFFAOYSA-N 1 2 331.464 2.250 20 30 EEEDLO C=CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1cn(C(C)C)nn1)C2 ZINC001148193984 792209444 /nfs/dbraw/zinc/20/94/44/792209444.db2.gz ORHQTVZCWGYTOV-UHFFFAOYSA-N 1 2 331.464 2.250 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCOc2c(C)cccc2C)C1 ZINC001107982734 792428244 /nfs/dbraw/zinc/42/82/44/792428244.db2.gz CIAZPIMYHGSLEO-HXUWFJFHSA-N 1 2 346.471 2.465 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCOc2c(C)cccc2C)C1 ZINC001107982734 792428255 /nfs/dbraw/zinc/42/82/55/792428255.db2.gz CIAZPIMYHGSLEO-HXUWFJFHSA-N 1 2 346.471 2.465 20 30 EEEDLO Cc1cc(=O)[nH]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032619325 792434785 /nfs/dbraw/zinc/43/47/85/792434785.db2.gz SKPIGAYKVKRMTN-ROUUACIJSA-N 1 2 347.418 2.046 20 30 EEEDLO Cc1cc(=O)[nH]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032619325 792434792 /nfs/dbraw/zinc/43/47/92/792434792.db2.gz SKPIGAYKVKRMTN-ROUUACIJSA-N 1 2 347.418 2.046 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccc(OCCC)c2)C1 ZINC001107983646 792471008 /nfs/dbraw/zinc/47/10/08/792471008.db2.gz PXNKFJLROJPYFU-FQEVSTJZSA-N 1 2 344.455 2.319 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccc(OCCC)c2)C1 ZINC001107983646 792471010 /nfs/dbraw/zinc/47/10/10/792471010.db2.gz PXNKFJLROJPYFU-FQEVSTJZSA-N 1 2 344.455 2.319 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCCC[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)nc1 ZINC001064176915 792606981 /nfs/dbraw/zinc/60/69/81/792606981.db2.gz ICPJUQQPXGZFIO-CABCVRRESA-N 1 2 338.415 2.006 20 30 EEEDLO C=CCCC1(C(=O)NCC2(NC(=O)CCc3[nH]cc[nH+]3)CCC2)CC1 ZINC001064394177 793020141 /nfs/dbraw/zinc/02/01/41/793020141.db2.gz CLDUPLXTHFCSIX-UHFFFAOYSA-N 1 2 344.459 2.244 20 30 EEEDLO CC#CCCCC(=O)N1C[C@H]2CCN(c3cc[nH+]c(C)n3)C[C@H]2C1 ZINC001091866761 793367937 /nfs/dbraw/zinc/36/79/37/793367937.db2.gz FGESODITNVYPTM-SJORKVTESA-N 1 2 326.444 2.263 20 30 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793898497 /nfs/dbraw/zinc/89/84/97/793898497.db2.gz BZANFKZHLXCZEP-HZPDHXFCSA-N 1 2 340.402 2.352 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccoc1CC)c1nccn12 ZINC001092366091 793910065 /nfs/dbraw/zinc/91/00/65/793910065.db2.gz PKULHIWGACSIHF-AWEZNQCLSA-N 1 2 326.400 2.110 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C3CC3)cn1)c1nccn12 ZINC001092409740 793958666 /nfs/dbraw/zinc/95/86/66/793958666.db2.gz BNBYKBVZJFLLRT-KRWDZBQOSA-N 1 2 349.438 2.227 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)nsc1C)c1nccn12 ZINC001092413780 793964666 /nfs/dbraw/zinc/96/46/66/793964666.db2.gz FUMABTLUWBXYKB-CYBMUJFWSA-N 1 2 343.456 2.028 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3oc(C)nc3c2)[C@H](O)C1 ZINC001090353127 794132337 /nfs/dbraw/zinc/13/23/37/794132337.db2.gz XJMRFSWMJYECNV-DZGCQCFKSA-N 1 2 349.818 2.054 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3oc(C)nc3c2)[C@H](O)C1 ZINC001090353127 794132345 /nfs/dbraw/zinc/13/23/45/794132345.db2.gz XJMRFSWMJYECNV-DZGCQCFKSA-N 1 2 349.818 2.054 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)c2c(C)ccn2C)C1 ZINC001046265609 794297246 /nfs/dbraw/zinc/29/72/46/794297246.db2.gz BKUGEADPIJJRNW-OAHLLOKOSA-N 1 2 340.265 2.436 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)c2c(C)ccn2C)C1 ZINC001046265609 794297252 /nfs/dbraw/zinc/29/72/52/794297252.db2.gz BKUGEADPIJJRNW-OAHLLOKOSA-N 1 2 340.265 2.436 20 30 EEEDLO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cncs2)C1 ZINC001079129747 794366032 /nfs/dbraw/zinc/36/60/32/794366032.db2.gz DQEYYDNHKGFAKE-HZPDHXFCSA-N 1 2 343.452 2.017 20 30 EEEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cncs2)C1 ZINC001079129747 794366037 /nfs/dbraw/zinc/36/60/37/794366037.db2.gz DQEYYDNHKGFAKE-HZPDHXFCSA-N 1 2 343.452 2.017 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)[nH+]c(C)c1C ZINC001092852373 794415476 /nfs/dbraw/zinc/41/54/76/794415476.db2.gz MPUAKNMCTTZGDU-SIXLDLHFSA-N 1 2 344.459 2.219 20 30 EEEDLO CCc1cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C#CC(C)C)C3)nc(C)[nH+]1 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C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001108395935 803448142 /nfs/dbraw/zinc/44/81/42/803448142.db2.gz XHHJINCQLQVPQK-IBGZPJMESA-N 1 2 343.427 2.183 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001108421907 803534900 /nfs/dbraw/zinc/53/49/00/803534900.db2.gz ASOPSHMFOXTNTI-OXQOHEQNSA-N 1 2 344.455 2.029 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001108421907 803534902 /nfs/dbraw/zinc/53/49/02/803534902.db2.gz ASOPSHMFOXTNTI-OXQOHEQNSA-N 1 2 344.455 2.029 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cc3ccccc3n2C)C1 ZINC001108431393 803548183 /nfs/dbraw/zinc/54/81/83/803548183.db2.gz YJPLFRIRTRFVPL-HXUWFJFHSA-N 1 2 341.455 2.114 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cc3ccccc3n2C)C1 ZINC001108431393 803548189 /nfs/dbraw/zinc/54/81/89/803548189.db2.gz YJPLFRIRTRFVPL-HXUWFJFHSA-N 1 2 341.455 2.114 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@@]1(C)C[N@H+](Cc2ccsc2)CCO1 ZINC001108433091 803559950 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EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC001567878526 1124153936 /nfs/dbraw/zinc/15/39/36/1124153936.db2.gz MKKPZXCYNZLZNO-CVEARBPZSA-N 1 2 347.459 2.031 20 30 EEEDLO O=C(C#Cc1ccccc1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000174957798 231354020 /nfs/dbraw/zinc/35/40/20/231354020.db2.gz SNWBEOPYRCOBNG-HXUWFJFHSA-N 1 2 334.419 2.228 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000098135879 219084627 /nfs/dbraw/zinc/08/46/27/219084627.db2.gz ATIPRPDYHPPEST-AWEZNQCLSA-N 1 2 349.862 2.179 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000098135879 219084628 /nfs/dbraw/zinc/08/46/28/219084628.db2.gz ATIPRPDYHPPEST-AWEZNQCLSA-N 1 2 349.862 2.179 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCc2cc(Br)no2)cs1 ZINC000291852996 238179409 /nfs/dbraw/zinc/17/94/09/238179409.db2.gz HZVSPEGOLDRHGZ-UHFFFAOYSA-N 1 2 331.195 2.234 20 30 EEEDLO C=C(Cl)CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000270482949 201239142 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/nfs/dbraw/zinc/11/35/99/246113599.db2.gz AOEQAFNXGASUBK-SFHVURJKSA-N 1 2 342.439 2.465 20 30 EEEDLO C=C(Br)C[NH+]1CCC(O)(CNC(=O)OC(C)(C)C)CC1 ZINC000495984833 247255500 /nfs/dbraw/zinc/25/55/00/247255500.db2.gz DTELRDWFIUSPAD-UHFFFAOYSA-N 1 2 349.269 2.247 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC3CCOCC3)CC2)cc1 ZINC000265259735 247347934 /nfs/dbraw/zinc/34/79/34/247347934.db2.gz DBPQQCJKAOZLMU-UHFFFAOYSA-N 1 2 327.428 2.019 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)Cc1[nH+]ccn1C ZINC000162022656 206380842 /nfs/dbraw/zinc/38/08/42/206380842.db2.gz JMFHTAAHZZSECW-NSHDSACASA-N 1 2 331.807 2.404 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3cccc(Cl)c3)CC2)nc1 ZINC000174747924 207052651 /nfs/dbraw/zinc/05/26/51/207052651.db2.gz ZGTDALKPVPQJDC-KRWDZBQOSA-N 1 2 342.830 2.462 20 30 EEEDLO C[C@@H]1CN=C(N2CC[NH+](CCOc3ccccc3C#N)CC2)S1 ZINC000175796087 207160647 /nfs/dbraw/zinc/16/06/47/207160647.db2.gz AFVBHJXBWKOVGD-CQSZACIVSA-N 1 2 330.457 2.046 20 30 EEEDLO CC(=O)NCC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000267411363 256057319 /nfs/dbraw/zinc/05/73/19/256057319.db2.gz UBQPKJUXFANRSL-UHFFFAOYSA-N 1 2 348.472 2.023 20 30 EEEDLO Cc1nnc([C@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)s1 ZINC000273702427 256319510 /nfs/dbraw/zinc/31/95/10/256319510.db2.gz NWQDGKVPOWAGOS-KWQFWETISA-N 1 2 333.442 2.236 20 30 EEEDLO Cc1nnc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)s1 ZINC000273702421 256319591 /nfs/dbraw/zinc/31/95/91/256319591.db2.gz NWQDGKVPOWAGOS-GZMMTYOYSA-N 1 2 333.442 2.236 20 30 EEEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O ZINC000491703281 533285710 /nfs/dbraw/zinc/28/57/10/533285710.db2.gz SJMPSAOMQFOHKR-LKFCYVNXSA-N 1 2 325.821 2.080 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc(Cl)s2)C1=O ZINC000491703281 533285718 /nfs/dbraw/zinc/28/57/18/533285718.db2.gz SJMPSAOMQFOHKR-LKFCYVNXSA-N 1 2 325.821 2.080 20 30 EEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000054538913 292139751 /nfs/dbraw/zinc/13/97/51/292139751.db2.gz AUWDXQXUPFDNMT-AWEZNQCLSA-N 1 2 346.431 2.188 20 30 EEEDLO Cn1cc[nH+]c1CNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000352270281 153031758 /nfs/dbraw/zinc/03/17/58/153031758.db2.gz DWTGUBXLLAZXLI-UHFFFAOYSA-N 1 2 334.177 2.376 20 30 EEEDLO CS(=O)(=O)N1CC[N@H+](Cc2ccc(C#N)cc2)Cc2ccccc21 ZINC000374312270 154046447 /nfs/dbraw/zinc/04/64/47/154046447.db2.gz VEMHZVWXAVRCPC-UHFFFAOYSA-N 1 2 341.436 2.340 20 30 EEEDLO CS(=O)(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2)Cc2ccccc21 ZINC000374312270 154046454 /nfs/dbraw/zinc/04/64/54/154046454.db2.gz VEMHZVWXAVRCPC-UHFFFAOYSA-N 1 2 341.436 2.340 20 30 EEEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(C#N)cn3C)CC2)s1 ZINC000081775711 159157249 /nfs/dbraw/zinc/15/72/49/159157249.db2.gz UHIWKVYQOBZHRI-UHFFFAOYSA-N 1 2 342.468 2.479 20 30 EEEDLO COc1ccc([C@H](NC(=O)c2cc(C#N)c[nH]2)c2[nH+]ccn2C)cc1 ZINC000175206959 159827564 /nfs/dbraw/zinc/82/75/64/159827564.db2.gz LIOAWAOCIBBWPG-INIZCTEOSA-N 1 2 335.367 2.148 20 30 EEEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(F)(c3cccnc3)CC2)cc1 ZINC000342131577 161042015 /nfs/dbraw/zinc/04/20/15/161042015.db2.gz NRYTWWSWBPRJKY-KRWDZBQOSA-N 1 2 338.386 2.440 20 30 EEEDLO Cc1ccsc1C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343970625 161185767 /nfs/dbraw/zinc/18/57/67/161185767.db2.gz ISUNHTXWESESNC-UHFFFAOYSA-N 1 2 335.454 2.229 20 30 EEEDLO Cc1ccsc1C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343970625 161185768 /nfs/dbraw/zinc/18/57/68/161185768.db2.gz ISUNHTXWESESNC-UHFFFAOYSA-N 1 2 335.454 2.229 20 30 EEEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)c1cccc(C#N)c1 ZINC000359908792 164195184 /nfs/dbraw/zinc/19/51/84/164195184.db2.gz HQFLVIDSKBPGCF-MRXNPFEDSA-N 1 2 334.423 2.401 20 30 EEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000301188397 269824246 /nfs/dbraw/zinc/82/42/46/269824246.db2.gz KOYVCGXNFXBNOC-HNNXBMFYSA-N 1 2 326.444 2.128 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c(Cl)c1 ZINC000439436383 270020410 /nfs/dbraw/zinc/02/04/10/270020410.db2.gz WSZWUXLTHMICMO-QGZVFWFLSA-N 1 2 347.846 2.425 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c(Cl)c1 ZINC000439436383 270020411 /nfs/dbraw/zinc/02/04/11/270020411.db2.gz WSZWUXLTHMICMO-QGZVFWFLSA-N 1 2 347.846 2.425 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1C#N ZINC000534471161 270022917 /nfs/dbraw/zinc/02/29/17/270022917.db2.gz XACZXINLSZINRF-KGLIPLIRSA-N 1 2 342.317 2.232 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1C#N ZINC000534471161 270022918 /nfs/dbraw/zinc/02/29/18/270022918.db2.gz XACZXINLSZINRF-KGLIPLIRSA-N 1 2 342.317 2.232 20 30 EEEDLO COc1cc(OC)c2ncc(C#N)c(N3CCn4c[nH+]cc4C3)c2c1 ZINC000290688629 266841487 /nfs/dbraw/zinc/84/14/87/266841487.db2.gz MBIMCHWYDOAAQK-UHFFFAOYSA-N 1 2 335.367 2.340 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000279655529 267141875 /nfs/dbraw/zinc/14/18/75/267141875.db2.gz CDHSCWYYMYFVPL-DEXNDLTESA-N 1 2 343.427 2.154 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000279655529 267141878 /nfs/dbraw/zinc/14/18/78/267141878.db2.gz CDHSCWYYMYFVPL-DEXNDLTESA-N 1 2 343.427 2.154 20 30 EEEDLO CCOc1ccnc(N2CCCN(c3cc(C)[nH+]cc3C#N)CC2)n1 ZINC000425234816 267177000 /nfs/dbraw/zinc/17/70/00/267177000.db2.gz HWSRULZXFZHYFT-UHFFFAOYSA-N 1 2 338.415 2.167 20 30 EEEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)n1C ZINC000298173387 267319806 /nfs/dbraw/zinc/31/98/06/267319806.db2.gz QECUUFIVRHXCPB-UHFFFAOYSA-N 1 2 336.439 2.472 20 30 EEEDLO Cc1cccc(N2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)c1 ZINC000298483980 267470608 /nfs/dbraw/zinc/47/06/08/267470608.db2.gz VUKNOXJMPTVBEW-UHFFFAOYSA-N 1 2 348.450 2.305 20 30 EEEDLO Cc1cc(CNc2cnn(CC[NH+]3CCOCC3)c2)ccc1C#N ZINC000444002315 268001616 /nfs/dbraw/zinc/00/16/16/268001616.db2.gz JPQUTBHYRKNNEV-UHFFFAOYSA-N 1 2 325.416 2.008 20 30 EEEDLO N#Cc1ccc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)nn1 ZINC000302048129 268127950 /nfs/dbraw/zinc/12/79/50/268127950.db2.gz VWDCYPFFINJQBM-UHFFFAOYSA-N 1 2 330.395 2.350 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000301646524 268293653 /nfs/dbraw/zinc/29/36/53/268293653.db2.gz NYUHFRSKETVYJH-UHFFFAOYSA-N 1 2 329.385 2.245 20 30 EEEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000528394526 268301588 /nfs/dbraw/zinc/30/15/88/268301588.db2.gz LEOAKBLCPSSYAA-MOPGFXCFSA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000528394526 268301589 /nfs/dbraw/zinc/30/15/89/268301589.db2.gz LEOAKBLCPSSYAA-MOPGFXCFSA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1ccc(OCc2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000278167770 269212918 /nfs/dbraw/zinc/21/29/18/269212918.db2.gz UPAFDWLJYMHZKX-GOEBONIOSA-N 1 2 340.383 2.446 20 30 EEEDLO N#Cc1ccc(OCc2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000278167770 269212919 /nfs/dbraw/zinc/21/29/19/269212919.db2.gz UPAFDWLJYMHZKX-GOEBONIOSA-N 1 2 340.383 2.446 20 30 EEEDLO N#CC1(CS(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000408315879 294789398 /nfs/dbraw/zinc/78/93/98/294789398.db2.gz LVQGLLILCBCUKJ-CQSZACIVSA-N 1 2 336.461 2.393 20 30 EEEDLO N#Cc1cnc(C(=O)NCC2CC[NH+](CC(F)F)CC2)c(Cl)c1 ZINC000563404561 319007793 /nfs/dbraw/zinc/00/77/93/319007793.db2.gz YHSHNTLRTVHRDR-UHFFFAOYSA-N 1 2 342.777 2.314 20 30 EEEDLO CCN1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1c1ncc[nH]1 ZINC000576350632 320164424 /nfs/dbraw/zinc/16/44/24/320164424.db2.gz SDBJZVNNDQNPSE-INIZCTEOSA-N 1 2 340.387 2.068 20 30 EEEDLO CCN1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1c1ncc[nH]1 ZINC000576350632 320164425 /nfs/dbraw/zinc/16/44/25/320164425.db2.gz SDBJZVNNDQNPSE-INIZCTEOSA-N 1 2 340.387 2.068 20 30 EEEDLO N#Cc1ccc(N2CCN(c3cc(NC4CC4)[nH+]cn3)CC2)c(F)c1 ZINC000576723765 320198770 /nfs/dbraw/zinc/19/87/70/320198770.db2.gz CVXIWYMWXGQTHI-UHFFFAOYSA-N 1 2 338.390 2.388 20 30 EEEDLO N#Cc1ccc(N2CCN(c3cc(NC4CC4)nc[nH+]3)CC2)c(F)c1 ZINC000576723765 320198773 /nfs/dbraw/zinc/19/87/73/320198773.db2.gz CVXIWYMWXGQTHI-UHFFFAOYSA-N 1 2 338.390 2.388 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H]([C@@H]3CCOC3)C1)CCC2 ZINC000328689040 465100219 /nfs/dbraw/zinc/10/02/19/465100219.db2.gz CVPIQJOSCFNMMM-HRCADAONSA-N 1 2 332.448 2.341 20 30 EEEDLO CC1(C)C[N@H+](CCNC(=O)NCCC2Cc3ccccc3C2)CCO1 ZINC000328876588 465155172 /nfs/dbraw/zinc/15/51/72/465155172.db2.gz SPFUWIQEZFIWQE-UHFFFAOYSA-N 1 2 345.487 2.406 20 30 EEEDLO CC1(C)C[N@@H+](CCNC(=O)NCCC2Cc3ccccc3C2)CCO1 ZINC000328876588 465155181 /nfs/dbraw/zinc/15/51/81/465155181.db2.gz SPFUWIQEZFIWQE-UHFFFAOYSA-N 1 2 345.487 2.406 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CCNC(C)=O)C1 ZINC000347669943 465160210 /nfs/dbraw/zinc/16/02/10/465160210.db2.gz XJZXUQRHSWUMFR-MAUKXSAKSA-N 1 2 343.427 2.011 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CCNC(C)=O)C1 ZINC000347669943 465160214 /nfs/dbraw/zinc/16/02/14/465160214.db2.gz XJZXUQRHSWUMFR-MAUKXSAKSA-N 1 2 343.427 2.011 20 30 EEEDLO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cn(C)nn3)C2)cc1 ZINC000328895662 465160522 /nfs/dbraw/zinc/16/05/22/465160522.db2.gz VIRHRTUCQGNSPC-OAHLLOKOSA-N 1 2 342.447 2.362 20 30 EEEDLO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cn(C)nn3)C2)cc1 ZINC000328895662 465160530 /nfs/dbraw/zinc/16/05/30/465160530.db2.gz VIRHRTUCQGNSPC-OAHLLOKOSA-N 1 2 342.447 2.362 20 30 EEEDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@H](C4CC4)C3)c[nH+]2)CCO1 ZINC000328939659 465175032 /nfs/dbraw/zinc/17/50/32/465175032.db2.gz SAQGKTBNMOFKSF-PBHICJAKSA-N 1 2 344.459 2.453 20 30 EEEDLO Cc1cc2cccnc2c(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000328963271 465184402 /nfs/dbraw/zinc/18/44/02/465184402.db2.gz LJXPZGSOZOKTQN-SJORKVTESA-N 1 2 340.427 2.494 20 30 EEEDLO Cc1cc2cccnc2c(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000328963271 465184410 /nfs/dbraw/zinc/18/44/10/465184410.db2.gz LJXPZGSOZOKTQN-SJORKVTESA-N 1 2 340.427 2.494 20 30 EEEDLO C#CCOc1ccc(CNC(=O)C2CC[NH+](CC(F)F)CC2)cc1 ZINC000297193783 465248208 /nfs/dbraw/zinc/24/82/08/465248208.db2.gz YAWDHXJYFSJUPS-UHFFFAOYSA-N 1 2 336.382 2.292 20 30 EEEDLO C[N@@H+]1CCc2nc(NC(=O)c3csc(-c4nc[nH]n4)n3)sc2C1 ZINC000329260410 465283092 /nfs/dbraw/zinc/28/30/92/465283092.db2.gz APSLLZFVVRQBAX-UHFFFAOYSA-N 1 2 347.429 2.009 20 30 EEEDLO C[N@H+]1CCc2nc(NC(=O)c3csc(-c4nc[nH]n4)n3)sc2C1 ZINC000329260410 465283096 /nfs/dbraw/zinc/28/30/96/465283096.db2.gz APSLLZFVVRQBAX-UHFFFAOYSA-N 1 2 347.429 2.009 20 30 EEEDLO CCN(CC)c1ccc(CNC(=O)COc2ccc(C#N)cc2)c[nH+]1 ZINC000060759887 462565137 /nfs/dbraw/zinc/56/51/37/462565137.db2.gz BCGUIXMEHFKCPH-UHFFFAOYSA-N 1 2 338.411 2.495 20 30 EEEDLO Cc1nc(C2([NH2+]C[C@H](O)COc3ccc(C#N)cc3)CCCC2)no1 ZINC000063511092 462651486 /nfs/dbraw/zinc/65/14/86/462651486.db2.gz HAJHKVPXFJGKBO-HNNXBMFYSA-N 1 2 342.399 2.049 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)Cc1[nH+]ccn1C ZINC000153440104 462651570 /nfs/dbraw/zinc/65/15/70/462651570.db2.gz NUXWCENKRPFIHE-CQSZACIVSA-N 1 2 343.406 2.326 20 30 EEEDLO CCOc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1OC ZINC000089267895 462661247 /nfs/dbraw/zinc/66/12/47/462661247.db2.gz PJSXMCUPPUTLQH-UHFFFAOYSA-N 1 2 347.459 2.142 20 30 EEEDLO COc1ccc(CN(C)C(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N)cc1OC ZINC000064795613 462720183 /nfs/dbraw/zinc/72/01/83/462720183.db2.gz PFURSWPVMRUXQW-KGLIPLIRSA-N 1 2 333.432 2.142 20 30 EEEDLO COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N)cc1OC ZINC000064795613 462720189 /nfs/dbraw/zinc/72/01/89/462720189.db2.gz PFURSWPVMRUXQW-KGLIPLIRSA-N 1 2 333.432 2.142 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc3cc(OC)ccc3c2)CC1 ZINC000491181525 468315237 /nfs/dbraw/zinc/31/52/37/468315237.db2.gz UDMKKDPFLBSPCC-UHFFFAOYSA-N 1 2 337.423 2.038 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000521557307 468320155 /nfs/dbraw/zinc/32/01/55/468320155.db2.gz MJRQRZYLGIAWIP-NXHRZFHOSA-N 1 2 344.459 2.203 20 30 EEEDLO CNC(=O)C1CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000091066133 462828684 /nfs/dbraw/zinc/82/86/84/462828684.db2.gz CAUSAHAWUKQUPS-UHFFFAOYSA-N 1 2 337.427 2.010 20 30 EEEDLO Cn1c(C#N)ccc1C(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000590759296 468330841 /nfs/dbraw/zinc/33/08/41/468330841.db2.gz YIKLRNYEUQTLKU-HNNXBMFYSA-N 1 2 328.803 2.337 20 30 EEEDLO Cc1ccccc1OCC[NH+]1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000095406917 463078580 /nfs/dbraw/zinc/07/85/80/463078580.db2.gz XMZHAESHLMBUCX-UHFFFAOYSA-N 1 2 338.411 2.032 20 30 EEEDLO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000078269225 463097849 /nfs/dbraw/zinc/09/78/49/463097849.db2.gz PDWROHIECZYFHC-NVXWUHKLSA-N 1 2 328.460 2.172 20 30 EEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[NH+]1CCOCC1 ZINC000078573298 463129157 /nfs/dbraw/zinc/12/91/57/463129157.db2.gz ZJJKEQICNYMESM-AWEZNQCLSA-N 1 2 348.472 2.392 20 30 EEEDLO CCNC(=O)C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000054227424 463220215 /nfs/dbraw/zinc/22/02/15/463220215.db2.gz RNIQYVOCRBSAOP-INIZCTEOSA-N 1 2 344.459 2.007 20 30 EEEDLO CCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000054227424 463220217 /nfs/dbraw/zinc/22/02/17/463220217.db2.gz RNIQYVOCRBSAOP-INIZCTEOSA-N 1 2 344.459 2.007 20 30 EEEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000029536122 463261542 /nfs/dbraw/zinc/26/15/42/463261542.db2.gz QQDOWAWIODQFJM-UYAOXDASSA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000029536122 463261549 /nfs/dbraw/zinc/26/15/49/463261549.db2.gz QQDOWAWIODQFJM-UYAOXDASSA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1cc([N+](=O)[O-])ccc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000029625756 463265314 /nfs/dbraw/zinc/26/53/14/463265314.db2.gz HJAZMLKLCXFNPG-INIZCTEOSA-N 1 2 348.428 2.086 20 30 EEEDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000123521023 463348194 /nfs/dbraw/zinc/34/81/94/463348194.db2.gz MIEPIPSBXVIFLR-OAHLLOKOSA-N 1 2 335.407 2.458 20 30 EEEDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000123521023 463348196 /nfs/dbraw/zinc/34/81/96/463348196.db2.gz MIEPIPSBXVIFLR-OAHLLOKOSA-N 1 2 335.407 2.458 20 30 EEEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCCc2ccsc2)c1=O ZINC000568533668 468353485 /nfs/dbraw/zinc/35/34/85/468353485.db2.gz OOUFARSYOKWZQR-UHFFFAOYSA-N 1 2 343.452 2.246 20 30 EEEDLO CC(C)CN(C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1)C1CC1 ZINC000101554341 463379698 /nfs/dbraw/zinc/37/96/98/463379698.db2.gz YSFIUIPFRGSQRG-UHFFFAOYSA-N 1 2 340.471 2.327 20 30 EEEDLO CO/N=C/c1ccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000057291351 463475922 /nfs/dbraw/zinc/47/59/22/463475922.db2.gz UOWUTNHKNWNLOW-KGENOOAVSA-N 1 2 338.411 2.020 20 30 EEEDLO CC(C)CCNC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354512 463559312 /nfs/dbraw/zinc/55/93/12/463559312.db2.gz LRJUSMCQKDKIJX-KRWDZBQOSA-N 1 2 342.487 2.227 20 30 EEEDLO CC(C)CCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000042354512 463559317 /nfs/dbraw/zinc/55/93/17/463559317.db2.gz LRJUSMCQKDKIJX-KRWDZBQOSA-N 1 2 342.487 2.227 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185101136 463752360 /nfs/dbraw/zinc/75/23/60/463752360.db2.gz GSVQEBJCKYXSCG-LBPRGKRZSA-N 1 2 345.378 2.288 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC)CC1 ZINC000283076174 463755422 /nfs/dbraw/zinc/75/54/22/463755422.db2.gz KSCOCPFNZBMBPN-UHFFFAOYSA-N 1 2 329.835 2.374 20 30 EEEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nc(C(C)(C)C)no1 ZINC000185155183 463764717 /nfs/dbraw/zinc/76/47/17/463764717.db2.gz YDSKAQKJNBDJHI-GFCCVEGCSA-N 1 2 333.436 2.360 20 30 EEEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cncn3)C2)c(C#N)c1C ZINC000171618174 463892692 /nfs/dbraw/zinc/89/26/92/463892692.db2.gz GMNONJQVHAENGL-OCCSQVGLSA-N 1 2 342.403 2.024 20 30 EEEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cncn3)C2)c(C#N)c1C ZINC000171618174 463892694 /nfs/dbraw/zinc/89/26/94/463892694.db2.gz GMNONJQVHAENGL-OCCSQVGLSA-N 1 2 342.403 2.024 20 30 EEEDLO CCOC1CC(CNc2ccc(F)cc2C#N)([NH+]2CCOCC2)C1 ZINC000278072713 463955509 /nfs/dbraw/zinc/95/55/09/463955509.db2.gz TUNCSJJZUNPVLV-UHFFFAOYSA-N 1 2 333.407 2.379 20 30 EEEDLO Cc1cccc([C@@H](CNC(=O)CC(C)(C)C#N)[NH+]2CCOCC2)c1 ZINC000278597749 463973079 /nfs/dbraw/zinc/97/30/79/463973079.db2.gz UQIAWSVJGRRMKR-QGZVFWFLSA-N 1 2 329.444 2.424 20 30 EEEDLO COc1cccc(OC)c1OCCCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000289469795 464080747 /nfs/dbraw/zinc/08/07/47/464080747.db2.gz WWZMIOVKOJRLFY-OAHLLOKOSA-N 1 2 338.404 2.331 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000290463952 464119128 /nfs/dbraw/zinc/11/91/28/464119128.db2.gz FQWKHKGLHQTULV-UHFFFAOYSA-N 1 2 341.371 2.394 20 30 EEEDLO CCC(CC)[C@H](C(=O)NCc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000173055361 464185560 /nfs/dbraw/zinc/18/55/60/464185560.db2.gz ZKBLWTOLKJPBEN-GOSISDBHSA-N 1 2 329.444 2.311 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000179817924 464192622 /nfs/dbraw/zinc/19/26/22/464192622.db2.gz WABSHFLUQZUNFO-SWLSCSKDSA-N 1 2 333.436 2.242 20 30 EEEDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC000263949451 464249877 /nfs/dbraw/zinc/24/98/77/464249877.db2.gz ZFFZPPYSFBBKRR-UHFFFAOYSA-N 1 2 343.818 2.332 20 30 EEEDLO CN(CCCn1cc[nH+]c1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000293193272 464392112 /nfs/dbraw/zinc/39/21/12/464392112.db2.gz BTTGGQPJXCSEHC-UHFFFAOYSA-N 1 2 337.305 2.331 20 30 EEEDLO C=C(C)CN(C)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000180834115 464404858 /nfs/dbraw/zinc/40/48/58/464404858.db2.gz XSONDUZVPWSVJP-UHFFFAOYSA-N 1 2 347.459 2.115 20 30 EEEDLO CC#CCN(C)C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000293521715 464408875 /nfs/dbraw/zinc/40/88/75/464408875.db2.gz RKGRLCHGNJJHFD-UHFFFAOYSA-N 1 2 348.406 2.022 20 30 EEEDLO O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000329918265 465474272 /nfs/dbraw/zinc/47/42/72/465474272.db2.gz ZTGFQDVGLLOMGS-AWZATWRCSA-N 1 2 334.460 2.403 20 30 EEEDLO O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000329918265 465474274 /nfs/dbraw/zinc/47/42/74/465474274.db2.gz ZTGFQDVGLLOMGS-AWZATWRCSA-N 1 2 334.460 2.403 20 30 EEEDLO CC(C)(C)c1nc(CN(CCC#N)CC[NH+]2CCOCC2)cs1 ZINC000174831530 464455364 /nfs/dbraw/zinc/45/53/64/464455364.db2.gz XRCHOMHRODLOJZ-UHFFFAOYSA-N 1 2 336.505 2.488 20 30 EEEDLO C#CCNC(=O)c1ccc(NCc2ccc(N3CCCCC3)[nH+]c2)nc1 ZINC000264881508 464502733 /nfs/dbraw/zinc/50/27/33/464502733.db2.gz RANIIFBCNFKTIP-UHFFFAOYSA-N 1 2 349.438 2.442 20 30 EEEDLO C=CC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1ccccc1F ZINC000181569021 464508145 /nfs/dbraw/zinc/50/81/45/464508145.db2.gz POEKRCVYFVVBTL-UHFFFAOYSA-N 1 2 336.407 2.272 20 30 EEEDLO C=CC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1ccccc1F ZINC000181569021 464508152 /nfs/dbraw/zinc/50/81/52/464508152.db2.gz POEKRCVYFVVBTL-UHFFFAOYSA-N 1 2 336.407 2.272 20 30 EEEDLO C#CCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000245736858 464510940 /nfs/dbraw/zinc/51/09/40/464510940.db2.gz KQGOQSKIQRCMAG-SJORKVTESA-N 1 2 349.862 2.424 20 30 EEEDLO C#CCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000245736858 464510947 /nfs/dbraw/zinc/51/09/47/464510947.db2.gz KQGOQSKIQRCMAG-SJORKVTESA-N 1 2 349.862 2.424 20 30 EEEDLO Cc1ccnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1[N+](=O)[O-] ZINC000265283817 464514449 /nfs/dbraw/zinc/51/44/49/464514449.db2.gz WSJYQLMGFZQOBR-UHFFFAOYSA-N 1 2 337.383 2.492 20 30 EEEDLO CC[C@H](C)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC(=O)OC(C)(C)C ZINC000246207909 464558516 /nfs/dbraw/zinc/55/85/16/464558516.db2.gz CAOXILSSSDSMPL-SCLBCKFNSA-N 1 2 337.464 2.237 20 30 EEEDLO CC[C@H](C)[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC(=O)OC(C)(C)C ZINC000246207909 464558525 /nfs/dbraw/zinc/55/85/25/464558525.db2.gz CAOXILSSSDSMPL-SCLBCKFNSA-N 1 2 337.464 2.237 20 30 EEEDLO CC(C)[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1nncn1C ZINC000285509817 464590372 /nfs/dbraw/zinc/59/03/72/464590372.db2.gz YIAJPVAFIHDTRR-KRWDZBQOSA-N 1 2 340.431 2.049 20 30 EEEDLO C=CC(C)(C)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000294745318 464592471 /nfs/dbraw/zinc/59/24/71/464592471.db2.gz OPDBSAQTYZMPML-UHFFFAOYSA-N 1 2 332.444 2.226 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000285622184 464632546 /nfs/dbraw/zinc/63/25/46/464632546.db2.gz KLKPTMIKNMZILH-UHFFFAOYSA-N 1 2 335.492 2.300 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000285622184 464632547 /nfs/dbraw/zinc/63/25/47/464632547.db2.gz KLKPTMIKNMZILH-UHFFFAOYSA-N 1 2 335.492 2.300 20 30 EEEDLO COc1cccc(OC)c1OC[C@@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000265651522 464633413 /nfs/dbraw/zinc/63/34/13/464633413.db2.gz OKRIIMJRRHNKBV-HNNXBMFYSA-N 1 2 334.416 2.212 20 30 EEEDLO COc1cccc(OC)c1OC[C@@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000265651522 464633420 /nfs/dbraw/zinc/63/34/20/464633420.db2.gz OKRIIMJRRHNKBV-HNNXBMFYSA-N 1 2 334.416 2.212 20 30 EEEDLO CC1(C#N)CC[NH+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000272644190 464684022 /nfs/dbraw/zinc/68/40/22/464684022.db2.gz YCRMLQNUJHIJIB-QGZVFWFLSA-N 1 2 340.471 2.255 20 30 EEEDLO COc1cc(C#N)ccc1OCCO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000266166704 464767630 /nfs/dbraw/zinc/76/76/30/464767630.db2.gz AYNQWQROKQNZSJ-CYBMUJFWSA-N 1 2 335.404 2.296 20 30 EEEDLO CCOc1ccc(NC(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C)cc1 ZINC000266170824 464767727 /nfs/dbraw/zinc/76/77/27/464767727.db2.gz CIKZLSLVNRBCDV-CYBMUJFWSA-N 1 2 337.420 2.374 20 30 EEEDLO COc1ncccc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000176459086 464779144 /nfs/dbraw/zinc/77/91/44/464779144.db2.gz MJDMTFRVMSLOIY-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(C#N)n(C)c1 ZINC000191148551 464785071 /nfs/dbraw/zinc/78/50/71/464785071.db2.gz FCJOOMPUEBURJF-UHFFFAOYSA-N 1 2 326.400 2.366 20 30 EEEDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(C#N)n(C)c1 ZINC000191148551 464785077 /nfs/dbraw/zinc/78/50/77/464785077.db2.gz FCJOOMPUEBURJF-UHFFFAOYSA-N 1 2 326.400 2.366 20 30 EEEDLO N#CCN1CC[NH+]([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000266698049 464791985 /nfs/dbraw/zinc/79/19/85/464791985.db2.gz GIVMFWFEVXFXKP-FQEVSTJZSA-N 1 2 348.450 2.185 20 30 EEEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000276069997 464797538 /nfs/dbraw/zinc/79/75/38/464797538.db2.gz UPBGNNYKGOPQEK-DKFQHHCZSA-N 1 2 347.422 2.094 20 30 EEEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000276069997 464797543 /nfs/dbraw/zinc/79/75/43/464797543.db2.gz UPBGNNYKGOPQEK-DKFQHHCZSA-N 1 2 347.422 2.094 20 30 EEEDLO Cc1cc(C#N)ccc1C[N@H+](C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000249114033 464842974 /nfs/dbraw/zinc/84/29/74/464842974.db2.gz DCNLKUAJBPLVLT-ZWKOTPCHSA-N 1 2 348.468 2.035 20 30 EEEDLO Cc1cc(C#N)ccc1C[N@@H+](C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000249114033 464842983 /nfs/dbraw/zinc/84/29/83/464842983.db2.gz DCNLKUAJBPLVLT-ZWKOTPCHSA-N 1 2 348.468 2.035 20 30 EEEDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)ccc1O ZINC000177051030 464917070 /nfs/dbraw/zinc/91/70/70/464917070.db2.gz MUIBENZAHFSFOX-UHFFFAOYSA-N 1 2 325.368 2.343 20 30 EEEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)ccc1O ZINC000177051030 464917075 /nfs/dbraw/zinc/91/70/75/464917075.db2.gz MUIBENZAHFSFOX-UHFFFAOYSA-N 1 2 325.368 2.343 20 30 EEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@H](C)C(=O)NCCc1cccs1 ZINC000267474552 464933582 /nfs/dbraw/zinc/93/35/82/464933582.db2.gz WLXYAPHNMCGJEW-QWHCGFSZSA-N 1 2 341.477 2.145 20 30 EEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@@H](C)C(=O)NCCc1cccs1 ZINC000267474554 464933874 /nfs/dbraw/zinc/93/38/74/464933874.db2.gz WLXYAPHNMCGJEW-STQMWFEESA-N 1 2 341.477 2.145 20 30 EEEDLO C#CC[C@H](Nc1nc(NCCO)[nH+]c(NC(C)C)n1)c1ccccc1 ZINC000286615518 464979493 /nfs/dbraw/zinc/97/94/93/464979493.db2.gz VPUUZCNPPQLYFC-HNNXBMFYSA-N 1 2 340.431 2.273 20 30 EEEDLO C#CC[C@H](Nc1nc(NCCO)nc(NC(C)C)[nH+]1)c1ccccc1 ZINC000286615518 464979510 /nfs/dbraw/zinc/97/95/10/464979510.db2.gz VPUUZCNPPQLYFC-HNNXBMFYSA-N 1 2 340.431 2.273 20 30 EEEDLO C=CCC(CC=C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000343312477 465501910 /nfs/dbraw/zinc/50/19/10/465501910.db2.gz RTKLCXQBBREVRA-UHFFFAOYSA-N 1 2 342.443 2.176 20 30 EEEDLO Cc1nc2sccn2c1C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000268238609 464986538 /nfs/dbraw/zinc/98/65/38/464986538.db2.gz MPBHIEGWOCVJHZ-MRXNPFEDSA-N 1 2 333.461 2.191 20 30 EEEDLO Cc1nc2sccn2c1C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000268238609 464986540 /nfs/dbraw/zinc/98/65/40/464986540.db2.gz MPBHIEGWOCVJHZ-MRXNPFEDSA-N 1 2 333.461 2.191 20 30 EEEDLO O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329410630 465325331 /nfs/dbraw/zinc/32/53/31/465325331.db2.gz BPKYRCSVZTZQPT-RYUDHWBXSA-N 1 2 330.354 2.286 20 30 EEEDLO Cc1nc([C@@H]2CCCN2C(=O)NC[C@H](C)Cn2cc[nH+]c2C)no1 ZINC000329414211 465326565 /nfs/dbraw/zinc/32/65/65/465326565.db2.gz YSQFRHPCHMDTRN-FZMZJTMJSA-N 1 2 332.408 2.270 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1C[C@H]1c1ccccc1 ZINC000342547699 465328567 /nfs/dbraw/zinc/32/85/67/465328567.db2.gz KUBMPAZHVVLTOK-OALUTQOASA-N 1 2 341.455 2.255 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000342965369 465419704 /nfs/dbraw/zinc/41/97/04/465419704.db2.gz JDLUMUDGYBWWCK-HNNXBMFYSA-N 1 2 332.448 2.462 20 30 EEEDLO Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)n1 ZINC000329762234 465426109 /nfs/dbraw/zinc/42/61/09/465426109.db2.gz SKGALWDCAWQNQJ-CYBMUJFWSA-N 1 2 336.461 2.374 20 30 EEEDLO Cc1csc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)n1 ZINC000329762234 465426115 /nfs/dbraw/zinc/42/61/15/465426115.db2.gz SKGALWDCAWQNQJ-CYBMUJFWSA-N 1 2 336.461 2.374 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1cc3n(n1)CCCO3)C2 ZINC000329897344 465466849 /nfs/dbraw/zinc/46/68/49/465466849.db2.gz LGWLCKFBLYNMTQ-LBPRGKRZSA-N 1 2 343.431 2.479 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CN(CC(=O)Nc2cc(F)cc(F)c2)CCN1C ZINC000329900443 465468906 /nfs/dbraw/zinc/46/89/06/465468906.db2.gz GDJKDFPNYZTTED-OAHLLOKOSA-N 1 2 349.385 2.275 20 30 EEEDLO Cc1sccc1CC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000329908684 465471354 /nfs/dbraw/zinc/47/13/54/465471354.db2.gz UNCSCGOSPXMUPD-UHFFFAOYSA-N 1 2 349.500 2.500 20 30 EEEDLO Cc1nnsc1C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000329929635 465477024 /nfs/dbraw/zinc/47/70/24/465477024.db2.gz YYLAKAIWHQYUJD-UHFFFAOYSA-N 1 2 344.400 2.196 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000330060595 465520701 /nfs/dbraw/zinc/52/07/01/465520701.db2.gz MXRKHZNHSUQYPB-CVEARBPZSA-N 1 2 339.480 2.093 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548610339 468439216 /nfs/dbraw/zinc/43/92/16/468439216.db2.gz IEXFTLFAPXYIED-OAHLLOKOSA-N 1 2 326.400 2.262 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)NCc1ccccc1)Cc1ccc(CO)o1 ZINC000352877427 465563345 /nfs/dbraw/zinc/56/33/45/465563345.db2.gz QCZXCUWCJWEILG-UHFFFAOYSA-N 1 2 328.412 2.466 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)NCc1ccccc1)Cc1ccc(CO)o1 ZINC000352877427 465563349 /nfs/dbraw/zinc/56/33/49/465563349.db2.gz QCZXCUWCJWEILG-UHFFFAOYSA-N 1 2 328.412 2.466 20 30 EEEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000352914831 465569247 /nfs/dbraw/zinc/56/92/47/465569247.db2.gz MNYCYTAJZZYGBV-HNNXBMFYSA-N 1 2 349.479 2.465 20 30 EEEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000352914831 465569251 /nfs/dbraw/zinc/56/92/51/465569251.db2.gz MNYCYTAJZZYGBV-HNNXBMFYSA-N 1 2 349.479 2.465 20 30 EEEDLO CC#CCN(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000344182976 465592946 /nfs/dbraw/zinc/59/29/46/465592946.db2.gz DALSFXLYRQGZTP-UHFFFAOYSA-N 1 2 338.411 2.183 20 30 EEEDLO CCn1nc(NC(=O)NCc2cn3c([nH+]2)CCCC3)cc1C1CC1 ZINC000330278519 465596818 /nfs/dbraw/zinc/59/68/18/465596818.db2.gz PTMJNNQPPLWGOU-UHFFFAOYSA-N 1 2 328.420 2.839 20 30 EEEDLO N#CC1(F)CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000344330173 465606400 /nfs/dbraw/zinc/60/64/00/465606400.db2.gz NONUADOTILKSHK-UHFFFAOYSA-N 1 2 341.390 2.469 20 30 EEEDLO CSCC[C@](C)(C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000344684792 465777965 /nfs/dbraw/zinc/77/79/65/465777965.db2.gz VQVNSHLUHQKFQK-SJLPKXTDSA-N 1 2 347.484 2.039 20 30 EEEDLO CSCC[C@](C)(C#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000344684792 465777971 /nfs/dbraw/zinc/77/79/71/465777971.db2.gz VQVNSHLUHQKFQK-SJLPKXTDSA-N 1 2 347.484 2.039 20 30 EEEDLO Cn1c(CCSc2nc(N)c(C#N)cc2C#N)[nH+]c2ccccc21 ZINC000345391903 465861934 /nfs/dbraw/zinc/86/19/34/465861934.db2.gz CTVLAEVFUKEYPP-UHFFFAOYSA-N 1 2 334.408 2.629 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cscn3)[C@@H]2CC)c1 ZINC001087719064 782123720 /nfs/dbraw/zinc/12/37/20/782123720.db2.gz YINAQQNXVNVYFX-DLBZAZTESA-N 1 2 340.452 2.302 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cscn3)[C@@H]2CC)c1 ZINC001087719064 782123728 /nfs/dbraw/zinc/12/37/28/782123728.db2.gz YINAQQNXVNVYFX-DLBZAZTESA-N 1 2 340.452 2.302 20 30 EEEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCOCC2CCC2)CC1 ZINC000591375028 468462312 /nfs/dbraw/zinc/46/23/12/468462312.db2.gz WQDZNMLCVKPYFH-UHFFFAOYSA-N 1 2 330.432 2.362 20 30 EEEDLO C#C[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC)C(C)C ZINC000366994123 466060514 /nfs/dbraw/zinc/06/05/14/466060514.db2.gz BBFJDZDNNLJYDE-RDJZCZTQSA-N 1 2 340.427 2.475 20 30 EEEDLO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCn2cc[nH+]c2C1 ZINC000581165235 468488926 /nfs/dbraw/zinc/48/89/26/468488926.db2.gz RNTDDUMHYPWIOE-DZGCQCFKSA-N 1 2 328.420 2.168 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000372483214 466412545 /nfs/dbraw/zinc/41/25/45/466412545.db2.gz UALIVTKANKMIDV-CQSZACIVSA-N 1 2 343.456 2.442 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000372483214 466412551 /nfs/dbraw/zinc/41/25/51/466412551.db2.gz UALIVTKANKMIDV-CQSZACIVSA-N 1 2 343.456 2.442 20 30 EEEDLO CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000312302627 466532409 /nfs/dbraw/zinc/53/24/09/466532409.db2.gz NZDSWRLRSLNQPQ-UHFFFAOYSA-N 1 2 336.233 2.421 20 30 EEEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000363884433 466645594 /nfs/dbraw/zinc/64/55/94/466645594.db2.gz NIKCANCSDZLHMK-MOPGFXCFSA-N 1 2 335.407 2.073 20 30 EEEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000363884433 466645595 /nfs/dbraw/zinc/64/55/95/466645595.db2.gz NIKCANCSDZLHMK-MOPGFXCFSA-N 1 2 335.407 2.073 20 30 EEEDLO CC(C)([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cc(C(F)(F)F)on1 ZINC000429269796 467319092 /nfs/dbraw/zinc/31/90/92/467319092.db2.gz HBYBKDHRTWPKLL-CQSZACIVSA-N 1 2 344.337 2.327 20 30 EEEDLO Cc1cc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)nn1CCC#N ZINC000378522272 467331154 /nfs/dbraw/zinc/33/11/54/467331154.db2.gz XASFPBHICNZVTC-ZDUSSCGKSA-N 1 2 327.392 2.587 20 30 EEEDLO Cc1ccc(-c2nnc(SC[C@H](O)C[N@H+](C)CCC#N)o2)cc1 ZINC000414094727 467376703 /nfs/dbraw/zinc/37/67/03/467376703.db2.gz IWQNIRIDMWUUCK-CQSZACIVSA-N 1 2 332.429 2.344 20 30 EEEDLO Cc1ccc(-c2nnc(SC[C@H](O)C[N@@H+](C)CCC#N)o2)cc1 ZINC000414094727 467376706 /nfs/dbraw/zinc/37/67/06/467376706.db2.gz IWQNIRIDMWUUCK-CQSZACIVSA-N 1 2 332.429 2.344 20 30 EEEDLO N#Cc1ccc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)o1 ZINC000429895769 467379070 /nfs/dbraw/zinc/37/90/70/467379070.db2.gz CJSDKVIYRFKRHK-UHFFFAOYSA-N 1 2 345.156 2.491 20 30 EEEDLO Cc1cc(OC[C@H](O)C[N@H+](C)CCC#N)c(Cl)cc1[N+](=O)[O-] ZINC000414131279 467381412 /nfs/dbraw/zinc/38/14/12/467381412.db2.gz YVFXXBDCWZFQIW-LLVKDONJSA-N 1 2 327.768 2.142 20 30 EEEDLO Cc1cc(OC[C@H](O)C[N@@H+](C)CCC#N)c(Cl)cc1[N+](=O)[O-] ZINC000414131279 467381413 /nfs/dbraw/zinc/38/14/13/467381413.db2.gz YVFXXBDCWZFQIW-LLVKDONJSA-N 1 2 327.768 2.142 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1c(F)cc(F)cc1Br ZINC000414136687 467382025 /nfs/dbraw/zinc/38/20/25/467382025.db2.gz DMVJGRWIEKTZJS-SNVBAGLBSA-N 1 2 349.175 2.312 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1c(F)cc(F)cc1Br ZINC000414136687 467382027 /nfs/dbraw/zinc/38/20/27/467382027.db2.gz DMVJGRWIEKTZJS-SNVBAGLBSA-N 1 2 349.175 2.312 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(F)cc1Br ZINC000414141978 467383247 /nfs/dbraw/zinc/38/32/47/467383247.db2.gz IUMLWUPLXMAUAP-NSHDSACASA-N 1 2 331.185 2.173 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(F)cc1Br ZINC000414141978 467383252 /nfs/dbraw/zinc/38/32/52/467383252.db2.gz IUMLWUPLXMAUAP-NSHDSACASA-N 1 2 331.185 2.173 20 30 EEEDLO CC(C)O[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000404685989 467476401 /nfs/dbraw/zinc/47/64/01/467476401.db2.gz GHENGXONJRUACV-MRXNPFEDSA-N 1 2 336.457 2.221 20 30 EEEDLO CC(C)O[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000404685989 467476403 /nfs/dbraw/zinc/47/64/03/467476403.db2.gz GHENGXONJRUACV-MRXNPFEDSA-N 1 2 336.457 2.221 20 30 EEEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420961356 467520292 /nfs/dbraw/zinc/52/02/92/467520292.db2.gz ICTITKQBJIPKJE-ZDUSSCGKSA-N 1 2 336.233 2.096 20 30 EEEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420961356 467520295 /nfs/dbraw/zinc/52/02/95/467520295.db2.gz ICTITKQBJIPKJE-ZDUSSCGKSA-N 1 2 336.233 2.096 20 30 EEEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000439438300 467567202 /nfs/dbraw/zinc/56/72/02/467567202.db2.gz CJIUNXGVXLTCQB-AWEZNQCLSA-N 1 2 341.864 2.115 20 30 EEEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439438300 467567204 /nfs/dbraw/zinc/56/72/04/467567204.db2.gz CJIUNXGVXLTCQB-AWEZNQCLSA-N 1 2 341.864 2.115 20 30 EEEDLO N#Cc1ccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1F ZINC000454710204 467611159 /nfs/dbraw/zinc/61/11/59/467611159.db2.gz IZMSTHGATWJGFR-HNNXBMFYSA-N 1 2 339.374 2.170 20 30 EEEDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000492460589 467643727 /nfs/dbraw/zinc/64/37/27/467643727.db2.gz QNMSMLYMXQYUFR-BQYQJAHWSA-N 1 2 347.382 2.066 20 30 EEEDLO CC(C)(CC#N)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000457990969 467747636 /nfs/dbraw/zinc/74/76/36/467747636.db2.gz QNLWBCBMZKOKPP-UHFFFAOYSA-N 1 2 327.344 2.450 20 30 EEEDLO N#Cc1cccc(NCc2ccc(N3CCOCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000450235234 467805028 /nfs/dbraw/zinc/80/50/28/467805028.db2.gz WVGUFADMRAYYGX-UHFFFAOYSA-N 1 2 339.355 2.310 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)C1=O ZINC000493052746 467829342 /nfs/dbraw/zinc/82/93/42/467829342.db2.gz NUYPHKGNLNQSNP-ILXRZTDVSA-N 1 2 337.464 2.103 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)C1=O ZINC000493052746 467829344 /nfs/dbraw/zinc/82/93/44/467829344.db2.gz NUYPHKGNLNQSNP-ILXRZTDVSA-N 1 2 337.464 2.103 20 30 EEEDLO CNc1nc(N2CC[C@H](Oc3ccc(C#N)cn3)C2)[nH+]c2ccccc21 ZINC000450539761 467866993 /nfs/dbraw/zinc/86/69/93/467866993.db2.gz MEBCZZXQMCWVIA-AWEZNQCLSA-N 1 2 346.394 2.596 20 30 EEEDLO CCCOc1ccc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1OC ZINC000493330678 467888008 /nfs/dbraw/zinc/88/80/08/467888008.db2.gz YPMJDWROZLUSCE-RQMBKDMJSA-N 1 2 345.443 2.457 20 30 EEEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000493614220 467949186 /nfs/dbraw/zinc/94/91/86/467949186.db2.gz HVNGELZKLNQJGQ-JTHGQSKGSA-N 1 2 347.422 2.094 20 30 EEEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000493614220 467949189 /nfs/dbraw/zinc/94/91/89/467949189.db2.gz HVNGELZKLNQJGQ-JTHGQSKGSA-N 1 2 347.422 2.094 20 30 EEEDLO CC(C)(C)OC(=O)N1CCC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)CC1 ZINC000493851314 467996679 /nfs/dbraw/zinc/99/66/79/467996679.db2.gz HQXVNRXYXFTZLL-ZIAGYGMSSA-N 1 2 335.452 2.233 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488756945 468102128 /nfs/dbraw/zinc/10/21/28/468102128.db2.gz XRZBRGIDOYQVNX-QGZVFWFLSA-N 1 2 342.443 2.145 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488756945 468102132 /nfs/dbraw/zinc/10/21/32/468102132.db2.gz XRZBRGIDOYQVNX-QGZVFWFLSA-N 1 2 342.443 2.145 20 30 EEEDLO CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000575292885 468139592 /nfs/dbraw/zinc/13/95/92/468139592.db2.gz BEUOATBQLBFSNX-MRXNPFEDSA-N 1 2 344.459 2.007 20 30 EEEDLO CC(=O)NCC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000575292885 468139597 /nfs/dbraw/zinc/13/95/97/468139597.db2.gz BEUOATBQLBFSNX-MRXNPFEDSA-N 1 2 344.459 2.007 20 30 EEEDLO N#CCCC1CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000566160788 468146328 /nfs/dbraw/zinc/14/63/28/468146328.db2.gz QAXSMNYFTSQZTG-INIZCTEOSA-N 1 2 329.448 2.348 20 30 EEEDLO N#CCCC1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000566160788 468146330 /nfs/dbraw/zinc/14/63/30/468146330.db2.gz QAXSMNYFTSQZTG-INIZCTEOSA-N 1 2 329.448 2.348 20 30 EEEDLO C=CCn1cccc1C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000489988405 468183871 /nfs/dbraw/zinc/18/38/71/468183871.db2.gz BKRQXSLLJOMADN-UHFFFAOYSA-N 1 2 343.431 2.318 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCOc1ccc2c(c1)CCC2 ZINC000567995410 468252499 /nfs/dbraw/zinc/25/24/99/468252499.db2.gz JPVAEARSIYEQCF-LJQANCHMSA-N 1 2 329.444 2.294 20 30 EEEDLO Cc1cn2ccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cc2[nH+]1 ZINC000595021769 468744530 /nfs/dbraw/zinc/74/45/30/468744530.db2.gz FTXQYWUISIZLRF-UHFFFAOYSA-N 1 2 339.399 2.027 20 30 EEEDLO C[C@@H](C#N)N(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000598138607 468776005 /nfs/dbraw/zinc/77/60/05/468776005.db2.gz ZAMGBTJKDRHDIZ-NSHDSACASA-N 1 2 325.328 2.297 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000595520176 468886183 /nfs/dbraw/zinc/88/61/83/468886183.db2.gz YTNACKASEBWDMI-JTQLQIEISA-N 1 2 349.822 2.221 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000595520176 468886187 /nfs/dbraw/zinc/88/61/87/468886187.db2.gz YTNACKASEBWDMI-JTQLQIEISA-N 1 2 349.822 2.221 20 30 EEEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000595614905 468923563 /nfs/dbraw/zinc/92/35/63/468923563.db2.gz JMEGAFZSTIENFI-AWEZNQCLSA-N 1 2 340.427 2.143 20 30 EEEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000595614905 468923570 /nfs/dbraw/zinc/92/35/70/468923570.db2.gz JMEGAFZSTIENFI-AWEZNQCLSA-N 1 2 340.427 2.143 20 30 EEEDLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595620398 468926219 /nfs/dbraw/zinc/92/62/19/468926219.db2.gz NEYFWTKBKWWFKX-OAHLLOKOSA-N 1 2 336.457 2.485 20 30 EEEDLO COc1ccccc1S(=O)(=O)CCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000595620398 468926224 /nfs/dbraw/zinc/92/62/24/468926224.db2.gz NEYFWTKBKWWFKX-OAHLLOKOSA-N 1 2 336.457 2.485 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601644625 468948750 /nfs/dbraw/zinc/94/87/50/468948750.db2.gz FMCJVYCZNPFCKX-UHFFFAOYSA-N 1 2 348.512 2.469 20 30 EEEDLO C[C@H](C#N)[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000595712174 468965121 /nfs/dbraw/zinc/96/51/21/468965121.db2.gz HLIRYXMQZGMFCG-LLVKDONJSA-N 1 2 330.344 2.269 20 30 EEEDLO C[C@H](C#N)[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000595712174 468965127 /nfs/dbraw/zinc/96/51/27/468965127.db2.gz HLIRYXMQZGMFCG-LLVKDONJSA-N 1 2 330.344 2.269 20 30 EEEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000602704515 469022072 /nfs/dbraw/zinc/02/20/72/469022072.db2.gz GUXDKTPYSKKWGO-LLVKDONJSA-N 1 2 327.837 2.113 20 30 EEEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000602704515 469022078 /nfs/dbraw/zinc/02/20/78/469022078.db2.gz GUXDKTPYSKKWGO-LLVKDONJSA-N 1 2 327.837 2.113 20 30 EEEDLO N#CCC1(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)CC1 ZINC000602760068 469056346 /nfs/dbraw/zinc/05/63/46/469056346.db2.gz WBILVECVLOIFSC-UHFFFAOYSA-N 1 2 327.428 2.269 20 30 EEEDLO COc1cccc(-c2nc(C[NH+]3CCN(CCC#N)CC3)co2)c1 ZINC000602797191 469081729 /nfs/dbraw/zinc/08/17/29/469081729.db2.gz HHHCNTGWFQVBGO-UHFFFAOYSA-N 1 2 326.400 2.381 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1C#N ZINC000573350649 469114605 /nfs/dbraw/zinc/11/46/05/469114605.db2.gz JRJFOMKIVBPTOO-MRXNPFEDSA-N 1 2 337.379 2.393 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1C#N ZINC000573350649 469114611 /nfs/dbraw/zinc/11/46/11/469114611.db2.gz JRJFOMKIVBPTOO-MRXNPFEDSA-N 1 2 337.379 2.393 20 30 EEEDLO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](C)CC#N)c(C(F)(F)F)c1 ZINC000602871219 469131614 /nfs/dbraw/zinc/13/16/14/469131614.db2.gz ZMMZLBKPIJEZSP-SECBINFHSA-N 1 2 342.321 2.494 20 30 EEEDLO C[NH+](C)[C@H](C(=O)Nc1ccn(CCC#N)n1)c1ccc(Cl)cc1 ZINC000563350036 469234609 /nfs/dbraw/zinc/23/46/09/469234609.db2.gz XHSMMOHMMPXVNV-HNNXBMFYSA-N 1 2 331.807 2.692 20 30 EEEDLO N#C[C@@]1(F)CCN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000615541411 469260458 /nfs/dbraw/zinc/26/04/58/469260458.db2.gz QYNARYNEPMEHGE-SFHVURJKSA-N 1 2 341.390 2.273 20 30 EEEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1ccc(F)c(C#N)c1 ZINC000599446071 469260808 /nfs/dbraw/zinc/26/08/08/469260808.db2.gz YVTUIZUWBLGGEB-SFHVURJKSA-N 1 2 336.374 2.302 20 30 EEEDLO COc1cc(C#N)ccc1CN1CCc2[nH+]c[nH]c2[C@H]1c1ccnn1C ZINC000599444979 469261108 /nfs/dbraw/zinc/26/11/08/469261108.db2.gz OQWQJEBQNBHEFP-LJQANCHMSA-N 1 2 348.410 2.171 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)C1CC1 ZINC000564908332 469262239 /nfs/dbraw/zinc/26/22/39/469262239.db2.gz LVVYBZNMYHJSGE-INIZCTEOSA-N 1 2 344.440 2.057 20 30 EEEDLO COC1CC[NH+](Cc2cn(Cc3ccc(C#N)cc3Cl)nn2)CC1 ZINC000603227694 469315769 /nfs/dbraw/zinc/31/57/69/469315769.db2.gz WAJIDQZLIIIJEC-UHFFFAOYSA-N 1 2 345.834 2.462 20 30 EEEDLO Cc1cc([NH2+][C@H](C)CC2(C#N)CCOCC2)ccc1-n1cnnn1 ZINC000602492971 469338618 /nfs/dbraw/zinc/33/86/18/469338618.db2.gz UXHNDBLYYYXGMI-CQSZACIVSA-N 1 2 326.404 2.482 20 30 EEEDLO N#CC1(CC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCCCC1 ZINC000596751532 469350218 /nfs/dbraw/zinc/35/02/18/469350218.db2.gz AXNWCEDRJZZHLX-UHFFFAOYSA-N 1 2 342.443 2.399 20 30 EEEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)cc2Cl)[C@@H](C)CO1 ZINC000596798019 469361478 /nfs/dbraw/zinc/36/14/78/469361478.db2.gz YAXOICVWIOWQBI-RYUDHWBXSA-N 1 2 336.823 2.442 20 30 EEEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)cc2Cl)[C@@H](C)CO1 ZINC000596798019 469361485 /nfs/dbraw/zinc/36/14/85/469361485.db2.gz YAXOICVWIOWQBI-RYUDHWBXSA-N 1 2 336.823 2.442 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000619719063 469669289 /nfs/dbraw/zinc/66/92/89/469669289.db2.gz QSYBUNKXVSITGC-WCQYABFASA-N 1 2 337.807 2.113 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000619719063 469669292 /nfs/dbraw/zinc/66/92/92/469669292.db2.gz QSYBUNKXVSITGC-WCQYABFASA-N 1 2 337.807 2.113 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000619717721 469669866 /nfs/dbraw/zinc/66/98/66/469669866.db2.gz FDDWDSPHFQRKJG-JSGCOSHPSA-N 1 2 347.333 2.105 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000619717721 469669869 /nfs/dbraw/zinc/66/98/69/469669869.db2.gz FDDWDSPHFQRKJG-JSGCOSHPSA-N 1 2 347.333 2.105 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000609485314 469932223 /nfs/dbraw/zinc/93/22/23/469932223.db2.gz MZGMXFNEZGNCMY-OTWHNJEPSA-N 1 2 346.519 2.333 20 30 EEEDLO Cc1ccccc1CN(C)C(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609537552 469936904 /nfs/dbraw/zinc/93/69/04/469936904.db2.gz AWCZWICKSPMTHL-LJQANCHMSA-N 1 2 342.487 2.119 20 30 EEEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2c2ccco2)cc1 ZINC000609744603 469958606 /nfs/dbraw/zinc/95/86/06/469958606.db2.gz LZZZBXLLNLMJQX-SJLPKXTDSA-N 1 2 342.395 2.159 20 30 EEEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@@H]2c2ccco2)cc1 ZINC000609744603 469958608 /nfs/dbraw/zinc/95/86/08/469958608.db2.gz LZZZBXLLNLMJQX-SJLPKXTDSA-N 1 2 342.395 2.159 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2nnc(-c3cccs3)o2)nn1 ZINC000640859672 471074775 /nfs/dbraw/zinc/07/47/75/471074775.db2.gz KONUQUDFXFVOOU-NSHDSACASA-N 1 2 328.401 2.112 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(c3cccc(Cl)c3)C2=O)nn1 ZINC000641105384 471202676 /nfs/dbraw/zinc/20/26/76/471202676.db2.gz RHCAVLBZTUTWQU-INIZCTEOSA-N 1 2 343.818 2.022 20 30 EEEDLO C=CC[C@@H]1CCCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000666239710 471326144 /nfs/dbraw/zinc/32/61/44/471326144.db2.gz KEDHEDOKEMWCCP-MRXNPFEDSA-N 1 2 347.463 2.035 20 30 EEEDLO CC(=O)c1nc(CC[NH+]2CCN(c3ccsc3C#N)CC2)[nH]c1C ZINC000661195047 471664051 /nfs/dbraw/zinc/66/40/51/471664051.db2.gz CILPYZMVYMEAEF-UHFFFAOYSA-N 1 2 343.456 2.219 20 30 EEEDLO C=CCCn1cc(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)nn1 ZINC000653559324 471664583 /nfs/dbraw/zinc/66/45/83/471664583.db2.gz VUVUSWVMWBRENE-MRXNPFEDSA-N 1 2 326.448 2.128 20 30 EEEDLO C=CCCn1cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)nn1 ZINC000653566247 471667138 /nfs/dbraw/zinc/66/71/38/471667138.db2.gz OGDSHZKRXMTMTE-SFHVURJKSA-N 1 2 334.464 2.404 20 30 EEEDLO C=CCCn1cc(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)nn1 ZINC000653724293 471723883 /nfs/dbraw/zinc/72/38/83/471723883.db2.gz PUWIGCMHNMJFQE-UHFFFAOYSA-N 1 2 325.416 2.118 20 30 EEEDLO C=CCCn1cc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)nn1 ZINC000653724293 471723887 /nfs/dbraw/zinc/72/38/87/471723887.db2.gz PUWIGCMHNMJFQE-UHFFFAOYSA-N 1 2 325.416 2.118 20 30 EEEDLO C=CCCNC(=O)N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000665946338 472246735 /nfs/dbraw/zinc/24/67/35/472246735.db2.gz WDGQFPNLKMBPDH-INIZCTEOSA-N 1 2 337.851 2.277 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+](CCC2CCCCC2)CC(N)=O)CCCCC1 ZINC000101567785 534569707 /nfs/dbraw/zinc/56/97/07/534569707.db2.gz UAOIZFQGSRTEFI-UHFFFAOYSA-N 1 2 348.491 2.087 20 30 EEEDLO N#CC1(NC(=O)C[N@H+](CCC2CCCCC2)CC(N)=O)CCCCC1 ZINC000101567785 534569712 /nfs/dbraw/zinc/56/97/12/534569712.db2.gz UAOIZFQGSRTEFI-UHFFFAOYSA-N 1 2 348.491 2.087 20 30 EEEDLO N#CCC[C@@H](NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000366225704 534657132 /nfs/dbraw/zinc/65/71/32/534657132.db2.gz SOZQMDUZCIKLBQ-ZWKOTPCHSA-N 1 2 342.443 2.194 20 30 EEEDLO N#CCC[C@@H](NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000366225704 534657138 /nfs/dbraw/zinc/65/71/38/534657138.db2.gz SOZQMDUZCIKLBQ-ZWKOTPCHSA-N 1 2 342.443 2.194 20 30 EEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378067911 526905845 /nfs/dbraw/zinc/90/58/45/526905845.db2.gz JBIZDBPIDSVXNV-OAHLLOKOSA-N 1 2 326.375 2.251 20 30 EEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378067911 526905846 /nfs/dbraw/zinc/90/58/46/526905846.db2.gz JBIZDBPIDSVXNV-OAHLLOKOSA-N 1 2 326.375 2.251 20 30 EEEDLO S=C(NCC[NH+]1CCOCC1)NN=C1CCC[C@@H]1c1ccccc1 ZINC000732528340 577183453 /nfs/dbraw/zinc/18/34/53/577183453.db2.gz YEQILVZAFBXTNR-MRXNPFEDSA-N 1 2 346.500 2.106 20 30 EEEDLO Cc1cc(=O)[nH]c(N=NC2CC[N@@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000734361624 577291385 /nfs/dbraw/zinc/29/13/85/577291385.db2.gz GNMIWIZXQNMECL-GFCCVEGCSA-N 1 2 326.404 2.196 20 30 EEEDLO Cc1cc(=O)[nH]c(N=NC2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000734361624 577291387 /nfs/dbraw/zinc/29/13/87/577291387.db2.gz GNMIWIZXQNMECL-GFCCVEGCSA-N 1 2 326.404 2.196 20 30 EEEDLO Cc1cc(=O)nc(NN=C2CC[N@@H+](Cc3ccccn3)C[C@H]2C)[nH]1 ZINC000734361624 577291389 /nfs/dbraw/zinc/29/13/89/577291389.db2.gz GNMIWIZXQNMECL-GFCCVEGCSA-N 1 2 326.404 2.196 20 30 EEEDLO Cc1cc(=O)nc(NN=C2CC[N@H+](Cc3ccccn3)C[C@H]2C)[nH]1 ZINC000734361624 577291391 /nfs/dbraw/zinc/29/13/91/577291391.db2.gz GNMIWIZXQNMECL-GFCCVEGCSA-N 1 2 326.404 2.196 20 30 EEEDLO C#C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[C@H]1CCCO1 ZINC000775332161 577435090 /nfs/dbraw/zinc/43/50/90/577435090.db2.gz RECYRMOLBSWREF-RCCFBDPRSA-N 1 2 344.480 2.074 20 30 EEEDLO C[C@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)[C@H]1C[N@H+](C)CCO1 ZINC000769796889 577584641 /nfs/dbraw/zinc/58/46/41/577584641.db2.gz WSRXBNMXVGMALL-IINYFYTJSA-N 1 2 338.864 2.217 20 30 EEEDLO C[C@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000769796889 577584642 /nfs/dbraw/zinc/58/46/42/577584642.db2.gz WSRXBNMXVGMALL-IINYFYTJSA-N 1 2 338.864 2.217 20 30 EEEDLO C=CC[N@@H+](CN1C(=O)CN(c2cccc(C(=O)OC)c2)C1=O)C(C)C ZINC000759726170 577648777 /nfs/dbraw/zinc/64/87/77/577648777.db2.gz DSPMBQQSAIKWJJ-UHFFFAOYSA-N 1 2 345.399 2.096 20 30 EEEDLO C=CC[N@H+](CN1C(=O)CN(c2cccc(C(=O)OC)c2)C1=O)C(C)C ZINC000759726170 577648778 /nfs/dbraw/zinc/64/87/78/577648778.db2.gz DSPMBQQSAIKWJJ-UHFFFAOYSA-N 1 2 345.399 2.096 20 30 EEEDLO C#CCCCC(=O)N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000760470846 577663447 /nfs/dbraw/zinc/66/34/47/577663447.db2.gz KLLYBOFVNXELNN-KRWDZBQOSA-N 1 2 334.847 2.321 20 30 EEEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O ZINC000751666847 577757121 /nfs/dbraw/zinc/75/71/21/577757121.db2.gz JBKNDLUTQYHVIT-KGLIPLIRSA-N 1 2 347.440 2.143 20 30 EEEDLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O ZINC000751666847 577757122 /nfs/dbraw/zinc/75/71/22/577757122.db2.gz JBKNDLUTQYHVIT-KGLIPLIRSA-N 1 2 347.440 2.143 20 30 EEEDLO COc1ccc(C=NNc2cc[nH+]c3ccccc23)cc1-c1nn[nH]n1 ZINC000737082258 578236969 /nfs/dbraw/zinc/23/69/69/578236969.db2.gz GKNUWDVEXMAYBB-UHFFFAOYSA-N 1 2 345.366 2.291 20 30 EEEDLO Fc1cc(-c2nn[nH]n2)ccc1C=NNc1cc[nH+]c2ccccc12 ZINC000822739766 607465059 /nfs/dbraw/zinc/46/50/59/607465059.db2.gz CLGLAGLPCCANAT-UHFFFAOYSA-N 1 2 333.330 2.422 20 30 EEEDLO Cc1cc(C(=O)N[C@H](C)C2C[NH+](Cc3ccc(C#N)cc3F)C2)on1 ZINC000969273967 674773337 /nfs/dbraw/zinc/77/33/37/674773337.db2.gz XDHFNIIKNWTUQG-GFCCVEGCSA-N 1 2 342.374 2.244 20 30 EEEDLO C[C@H](NC(=O)[C@@H]1CCCOC1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969389175 674933193 /nfs/dbraw/zinc/93/31/93/674933193.db2.gz JCBWWAYSGZBPAV-DZGCQCFKSA-N 1 2 345.418 2.060 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccncc2Cl)C1 ZINC000970447158 675901780 /nfs/dbraw/zinc/90/17/80/675901780.db2.gz NRANWGTZPSZSHB-VMGRFDJRSA-N 1 2 349.862 2.263 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(C)nc3n[nH]c(C)c32)C1 ZINC000970587357 676007047 /nfs/dbraw/zinc/00/70/47/676007047.db2.gz UGMMBGRIAHVPGI-LLVKDONJSA-N 1 2 347.850 2.377 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2n[nH]c(CC)c2Cl)C1 ZINC000969856584 675258663 /nfs/dbraw/zinc/25/86/63/675258663.db2.gz FHOXVXFPPSLGAF-SECBINFHSA-N 1 2 331.247 2.428 20 30 EEEDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000969877503 675276080 /nfs/dbraw/zinc/27/60/80/675276080.db2.gz LUFFSDLNQUGYFX-MORSLUCNSA-N 1 2 349.438 2.022 20 30 EEEDLO C[C@H](NC(=O)c1ccsn1)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000969931180 675319207 /nfs/dbraw/zinc/31/92/07/675319207.db2.gz JYUCARKQUBNOOB-ZDUSSCGKSA-N 1 2 343.427 2.384 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC000970080495 675456405 /nfs/dbraw/zinc/45/64/05/675456405.db2.gz VPSGBRCDFMCEPO-ZDUSSCGKSA-N 1 2 349.862 2.125 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnc3ccc(C)cn32)C1 ZINC000970148007 675583463 /nfs/dbraw/zinc/58/34/63/675583463.db2.gz BNUWUFXINBTKFP-CYBMUJFWSA-N 1 2 332.835 2.445 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2nc3c(s2)CCC3)C1 ZINC000970155034 675590818 /nfs/dbraw/zinc/59/08/18/675590818.db2.gz MHEWAVVWPWDFCH-SNVBAGLBSA-N 1 2 325.865 2.434 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnn(C)c2-n2cccc2)C1 ZINC000970245861 675739994 /nfs/dbraw/zinc/73/99/94/675739994.db2.gz YWRPMZSOUBSJJR-ZDUSSCGKSA-N 1 2 347.850 2.013 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2csc(COC)n2)C1 ZINC000970965775 676277026 /nfs/dbraw/zinc/27/70/26/676277026.db2.gz JHUIQRMRNRSEQG-SNVBAGLBSA-N 1 2 329.853 2.092 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2n(n1)CCC2 ZINC001039382457 676539965 /nfs/dbraw/zinc/53/99/65/676539965.db2.gz OYOOYQORRCHSHE-HIFRSBDPSA-N 1 2 334.851 2.261 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2n(n1)CCC2 ZINC001039382457 676539967 /nfs/dbraw/zinc/53/99/67/676539967.db2.gz OYOOYQORRCHSHE-HIFRSBDPSA-N 1 2 334.851 2.261 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccncc2C)C1 ZINC000971497744 676599195 /nfs/dbraw/zinc/59/91/95/676599195.db2.gz SIGNEZMWOLJQOQ-ZDUSSCGKSA-N 1 2 338.249 2.445 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2ccncc2C)C1 ZINC000971497744 676599196 /nfs/dbraw/zinc/59/91/96/676599196.db2.gz SIGNEZMWOLJQOQ-ZDUSSCGKSA-N 1 2 338.249 2.445 20 30 EEEDLO C=C1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000891505279 676678380 /nfs/dbraw/zinc/67/83/80/676678380.db2.gz INJNYNCAELJHHW-GOSISDBHSA-N 1 2 329.444 2.249 20 30 EEEDLO C=C1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000891505279 676678381 /nfs/dbraw/zinc/67/83/81/676678381.db2.gz INJNYNCAELJHHW-GOSISDBHSA-N 1 2 329.444 2.249 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc3n(n2)CCC3)C1 ZINC000972073765 678209529 /nfs/dbraw/zinc/20/95/29/678209529.db2.gz VKECICDKCGGVCC-QGZVFWFLSA-N 1 2 330.476 2.464 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc3n(n2)CCC3)C1 ZINC000972073765 678209530 /nfs/dbraw/zinc/20/95/30/678209530.db2.gz VKECICDKCGGVCC-QGZVFWFLSA-N 1 2 330.476 2.464 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)c(C)s2)C1 ZINC000972374336 678618750 /nfs/dbraw/zinc/61/87/50/678618750.db2.gz RKIVPEREZZOFDW-XHSDSOJGSA-N 1 2 349.500 2.384 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)c(C)s2)C1 ZINC000972374336 678618754 /nfs/dbraw/zinc/61/87/54/678618754.db2.gz RKIVPEREZZOFDW-XHSDSOJGSA-N 1 2 349.500 2.384 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC(C)=C(C)C3)C2)C1 ZINC000972391918 678671448 /nfs/dbraw/zinc/67/14/48/678671448.db2.gz QFIFSGNRORKKOE-ICSRJNTNSA-N 1 2 330.472 2.450 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC(C)=C(C)C3)C2)C1 ZINC000972391918 678671450 /nfs/dbraw/zinc/67/14/50/678671450.db2.gz QFIFSGNRORKKOE-ICSRJNTNSA-N 1 2 330.472 2.450 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc(C4CC4)c3)C2)C1 ZINC000972453796 678772935 /nfs/dbraw/zinc/77/29/35/678772935.db2.gz QGGJILMVTBMQDD-IBGZPJMESA-N 1 2 327.428 2.062 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc(C4CC4)c3)C2)C1 ZINC000972453796 678772940 /nfs/dbraw/zinc/77/29/40/678772940.db2.gz QGGJILMVTBMQDD-IBGZPJMESA-N 1 2 327.428 2.062 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(-n4cccc4)c3)C2)C1 ZINC000972454329 678773914 /nfs/dbraw/zinc/77/39/14/678773914.db2.gz UWUQBOBQTRIXJO-NRFANRHFSA-N 1 2 349.434 2.027 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(-n4cccc4)c3)C2)C1 ZINC000972454329 678773919 /nfs/dbraw/zinc/77/39/19/678773919.db2.gz UWUQBOBQTRIXJO-NRFANRHFSA-N 1 2 349.434 2.027 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4cc(C)ccc4[nH]3)C2)C1 ZINC000972493071 678911809 /nfs/dbraw/zinc/91/18/09/678911809.db2.gz VKIGTNFDJXEUES-HXUWFJFHSA-N 1 2 337.423 2.026 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4cc(C)ccc4[nH]3)C2)C1 ZINC000972493071 678911811 /nfs/dbraw/zinc/91/18/11/678911811.db2.gz VKIGTNFDJXEUES-HXUWFJFHSA-N 1 2 337.423 2.026 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(F)ccc(C)c3F)C2)C1 ZINC000972530632 679190256 /nfs/dbraw/zinc/19/02/56/679190256.db2.gz FJXHJQSBQXWWKA-SFHVURJKSA-N 1 2 336.382 2.376 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(F)ccc(C)c3F)C2)C1 ZINC000972530632 679190257 /nfs/dbraw/zinc/19/02/57/679190257.db2.gz FJXHJQSBQXWWKA-SFHVURJKSA-N 1 2 336.382 2.376 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cc(C)cc(C)c3)C2)C1 ZINC000972535404 679203753 /nfs/dbraw/zinc/20/37/53/679203753.db2.gz UYXCCUFLESBWFN-OAQYLSRUSA-N 1 2 340.467 2.173 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cc(C)cc(C)c3)C2)C1 ZINC000972535404 679203755 /nfs/dbraw/zinc/20/37/55/679203755.db2.gz UYXCCUFLESBWFN-OAQYLSRUSA-N 1 2 340.467 2.173 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cncc(C)c1 ZINC001038266047 679229682 /nfs/dbraw/zinc/22/96/82/679229682.db2.gz IRNNWIZYGBMYLW-KURKYZTESA-N 1 2 329.444 2.062 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cncc(C)c1 ZINC001038266047 679229683 /nfs/dbraw/zinc/22/96/83/679229683.db2.gz IRNNWIZYGBMYLW-KURKYZTESA-N 1 2 329.444 2.062 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3nc(C)no3)C2)cc1 ZINC001023527284 679360643 /nfs/dbraw/zinc/36/06/43/679360643.db2.gz SLKUWVURTCNHHW-MRXNPFEDSA-N 1 2 338.411 2.001 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3nc(C)no3)C2)cc1 ZINC001023527284 679360644 /nfs/dbraw/zinc/36/06/44/679360644.db2.gz SLKUWVURTCNHHW-MRXNPFEDSA-N 1 2 338.411 2.001 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C(C)C)c3)C2)C1 ZINC000972624441 679447067 /nfs/dbraw/zinc/44/70/67/679447067.db2.gz PPYKQYYTXBWXIH-FQEVSTJZSA-N 1 2 326.440 2.360 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C(C)C)c3)C2)C1 ZINC000972624441 679447069 /nfs/dbraw/zinc/44/70/69/679447069.db2.gz PPYKQYYTXBWXIH-FQEVSTJZSA-N 1 2 326.440 2.360 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccccc3F)C2)C1 ZINC000972668813 679558144 /nfs/dbraw/zinc/55/81/44/679558144.db2.gz DGQOKFDHNIZOSS-IBGZPJMESA-N 1 2 332.419 2.248 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccccc3F)C2)C1 ZINC000972668813 679558147 /nfs/dbraw/zinc/55/81/47/679558147.db2.gz DGQOKFDHNIZOSS-IBGZPJMESA-N 1 2 332.419 2.248 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)COc3cc(C)cc(C)c3)C2)C1 ZINC000972676222 679586504 /nfs/dbraw/zinc/58/65/04/679586504.db2.gz FWGYBOCBFKOOJM-FQEVSTJZSA-N 1 2 344.455 2.172 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)COc3cc(C)cc(C)c3)C2)C1 ZINC000972676222 679586508 /nfs/dbraw/zinc/58/65/08/679586508.db2.gz FWGYBOCBFKOOJM-FQEVSTJZSA-N 1 2 344.455 2.172 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cc(C)sc3C)C2)C1 ZINC000972691986 679613011 /nfs/dbraw/zinc/61/30/11/679613011.db2.gz KWWIXCRXOAGKJI-IBGZPJMESA-N 1 2 346.496 2.234 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cc(C)sc3C)C2)C1 ZINC000972691986 679613016 /nfs/dbraw/zinc/61/30/16/679613016.db2.gz KWWIXCRXOAGKJI-IBGZPJMESA-N 1 2 346.496 2.234 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3nc(C)oc3C)C2)nc1 ZINC000972754930 679748496 /nfs/dbraw/zinc/74/84/96/679748496.db2.gz AAOKSBVUFNLYMU-MRXNPFEDSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3nc(C)oc3C)C2)nc1 ZINC000972754930 679748497 /nfs/dbraw/zinc/74/84/97/679748497.db2.gz AAOKSBVUFNLYMU-MRXNPFEDSA-N 1 2 338.411 2.014 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ncc(C)o1 ZINC001024660438 681324404 /nfs/dbraw/zinc/32/44/04/681324404.db2.gz OMPFGBWZERJKEJ-XHSDSOJGSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ncc(C)o1 ZINC001024660438 681324406 /nfs/dbraw/zinc/32/44/06/681324406.db2.gz OMPFGBWZERJKEJ-XHSDSOJGSA-N 1 2 333.432 2.045 20 30 EEEDLO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c(=O)ccoc2c1 ZINC001024759849 681419596 /nfs/dbraw/zinc/41/95/96/681419596.db2.gz LWVBENBPOLNYSE-INIZCTEOSA-N 1 2 338.407 2.401 20 30 EEEDLO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c(=O)ccoc2c1 ZINC001024759849 681419599 /nfs/dbraw/zinc/41/95/99/681419599.db2.gz LWVBENBPOLNYSE-INIZCTEOSA-N 1 2 338.407 2.401 20 30 EEEDLO Cc1nc(N2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)ccc1C#N ZINC001058594515 681448061 /nfs/dbraw/zinc/44/80/61/681448061.db2.gz UTDYYULCFZFMCM-HNNXBMFYSA-N 1 2 346.394 2.147 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001059021927 681914708 /nfs/dbraw/zinc/91/47/08/681914708.db2.gz UPTUHNBYVIFKJD-AWEZNQCLSA-N 1 2 343.475 2.080 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001059021927 681914711 /nfs/dbraw/zinc/91/47/11/681914711.db2.gz UPTUHNBYVIFKJD-AWEZNQCLSA-N 1 2 343.475 2.080 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059103067 682004862 /nfs/dbraw/zinc/00/48/62/682004862.db2.gz AGOJEZGUNIKVAM-ZDUSSCGKSA-N 1 2 327.363 2.066 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059103067 682004864 /nfs/dbraw/zinc/00/48/64/682004864.db2.gz AGOJEZGUNIKVAM-ZDUSSCGKSA-N 1 2 327.363 2.066 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnoc1C ZINC001029511690 685614849 /nfs/dbraw/zinc/61/48/49/685614849.db2.gz YDMLDIATPIKTIF-MHORFTMASA-N 1 2 345.443 2.139 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnoc1C ZINC001029511690 685614850 /nfs/dbraw/zinc/61/48/50/685614850.db2.gz YDMLDIATPIKTIF-MHORFTMASA-N 1 2 345.443 2.139 20 30 EEEDLO C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CCCN(CC#N)C1 ZINC001025581442 683036494 /nfs/dbraw/zinc/03/64/94/683036494.db2.gz CUWHYIAZIPJEMC-WBVHZDCISA-N 1 2 337.427 2.226 20 30 EEEDLO C[C@H]1[C@H](NC(=O)C(F)F)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000992941658 683673342 /nfs/dbraw/zinc/67/33/42/683673342.db2.gz FEWPCCGVQWGYGC-IINYFYTJSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@H]1[C@H](NC(=O)C(F)F)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000992941658 683673345 /nfs/dbraw/zinc/67/33/45/683673345.db2.gz FEWPCCGVQWGYGC-IINYFYTJSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)C(F)F)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000992943585 683673957 /nfs/dbraw/zinc/67/39/57/683673957.db2.gz GUJBVRZUNMIZQY-YGRLFVJLSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)C(F)F)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000992943585 683673958 /nfs/dbraw/zinc/67/39/58/683673958.db2.gz GUJBVRZUNMIZQY-YGRLFVJLSA-N 1 2 325.334 2.432 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)Cc3nccs3)C2)nc1 ZINC001027655769 693809472 /nfs/dbraw/zinc/80/94/72/693809472.db2.gz BSXVNIRSQMQHRL-HNNXBMFYSA-N 1 2 340.452 2.256 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3nccs3)C2)nc1 ZINC001027655769 693809475 /nfs/dbraw/zinc/80/94/75/693809475.db2.gz BSXVNIRSQMQHRL-HNNXBMFYSA-N 1 2 340.452 2.256 20 30 EEEDLO C[C@H]1CO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)C1 ZINC001029399632 684232736 /nfs/dbraw/zinc/23/27/36/684232736.db2.gz TXBVXCAQHAVLDB-LMCOJAPRSA-N 1 2 338.451 2.138 20 30 EEEDLO C[C@H]1CO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)C1 ZINC001029399632 684232738 /nfs/dbraw/zinc/23/27/38/684232738.db2.gz TXBVXCAQHAVLDB-LMCOJAPRSA-N 1 2 338.451 2.138 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2nccs2)CC1(C)C ZINC000974585958 685101180 /nfs/dbraw/zinc/10/11/80/685101180.db2.gz AYYVSFWQAHYOGY-ILXRZTDVSA-N 1 2 349.500 2.451 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2nccs2)CC1(C)C ZINC000974585958 685101183 /nfs/dbraw/zinc/10/11/83/685101183.db2.gz AYYVSFWQAHYOGY-ILXRZTDVSA-N 1 2 349.500 2.451 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2c(Cl)cnn2C)C(C)(C)C1 ZINC000974591557 685107318 /nfs/dbraw/zinc/10/73/18/685107318.db2.gz ZZDDLAHEGAJWTI-NSHDSACASA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2c(Cl)cnn2C)C(C)(C)C1 ZINC000974591557 685107320 /nfs/dbraw/zinc/10/73/20/685107320.db2.gz ZZDDLAHEGAJWTI-NSHDSACASA-N 1 2 331.247 2.266 20 30 EEEDLO Cc1ccc(C(=O)/C=C/C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000899969285 693947774 /nfs/dbraw/zinc/94/77/74/693947774.db2.gz KLNRVGILKTVWIK-GFOMBABLSA-N 1 2 342.439 2.057 20 30 EEEDLO C[C@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029527105 685686508 /nfs/dbraw/zinc/68/65/08/685686508.db2.gz DRELNNUORJSHLX-WVZRYYJFSA-N 1 2 345.468 2.220 20 30 EEEDLO C[C@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029527105 685686510 /nfs/dbraw/zinc/68/65/10/685686510.db2.gz DRELNNUORJSHLX-WVZRYYJFSA-N 1 2 345.468 2.220 20 30 EEEDLO CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1n[nH]cc1F ZINC000975024145 686036076 /nfs/dbraw/zinc/03/60/76/686036076.db2.gz ZHBIOTRPRWTFHF-MRXNPFEDSA-N 1 2 340.402 2.041 20 30 EEEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1n[nH]cc1F ZINC000975024145 686036082 /nfs/dbraw/zinc/03/60/82/686036082.db2.gz ZHBIOTRPRWTFHF-MRXNPFEDSA-N 1 2 340.402 2.041 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3cc(OC)no3)CC2(C)C)C1 ZINC000975032776 686083617 /nfs/dbraw/zinc/08/36/17/686083617.db2.gz ZKZTYZUNQXPXQS-CQSZACIVSA-N 1 2 333.432 2.366 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cc(OC)no3)CC2(C)C)C1 ZINC000975032776 686083619 /nfs/dbraw/zinc/08/36/19/686083619.db2.gz ZKZTYZUNQXPXQS-CQSZACIVSA-N 1 2 333.432 2.366 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059561378 687109121 /nfs/dbraw/zinc/10/91/21/687109121.db2.gz WWHJHLWABWMIHM-DNVCBOLYSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001059745880 688988934 /nfs/dbraw/zinc/98/89/34/688988934.db2.gz JTWSWLYVEZZCFG-MRXNPFEDSA-N 1 2 346.475 2.064 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060178174 694256575 /nfs/dbraw/zinc/25/65/75/694256575.db2.gz MNRULHJCRWKKGS-HOTGVXAUSA-N 1 2 346.475 2.218 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC001027753494 694325995 /nfs/dbraw/zinc/32/59/95/694325995.db2.gz OJNMXMMPUAHDNH-MRXNPFEDSA-N 1 2 326.375 2.420 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC001027753494 694326000 /nfs/dbraw/zinc/32/60/00/694326000.db2.gz OJNMXMMPUAHDNH-MRXNPFEDSA-N 1 2 326.375 2.420 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059820409 689936358 /nfs/dbraw/zinc/93/63/58/689936358.db2.gz WCHMHXGZMUPFNI-HZPDHXFCSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059820409 689936362 /nfs/dbraw/zinc/93/63/62/689936362.db2.gz WCHMHXGZMUPFNI-HZPDHXFCSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059820506 689937051 /nfs/dbraw/zinc/93/70/51/689937051.db2.gz YWDIDKHYLIZLFX-DNVCBOLYSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059820506 689937053 /nfs/dbraw/zinc/93/70/53/689937053.db2.gz YWDIDKHYLIZLFX-DNVCBOLYSA-N 1 2 346.475 2.299 20 30 EEEDLO Cc1cc(-n2c(C)cn(C[N@@H+](C)Cc3cccc(C#N)c3)c2=O)no1 ZINC000067710546 691110981 /nfs/dbraw/zinc/11/09/81/691110981.db2.gz OUXPQQTWYIFDEM-UHFFFAOYSA-N 1 2 337.383 2.205 20 30 EEEDLO Cc1cc(-n2c(C)cn(C[N@H+](C)Cc3cccc(C#N)c3)c2=O)no1 ZINC000067710546 691110987 /nfs/dbraw/zinc/11/09/87/691110987.db2.gz OUXPQQTWYIFDEM-UHFFFAOYSA-N 1 2 337.383 2.205 20 30 EEEDLO C=C(Cl)CN1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC000989469286 691949804 /nfs/dbraw/zinc/94/98/04/691949804.db2.gz LWGMPQIFTJJNIK-UHFFFAOYSA-N 1 2 345.834 2.168 20 30 EEEDLO Cc1nc[nH]c1C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000989808472 692355624 /nfs/dbraw/zinc/35/56/24/692355624.db2.gz IXVRJDRFCMMJEC-UHFFFAOYSA-N 1 2 341.390 2.077 20 30 EEEDLO Cc1nc[nH]c1C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000989808472 692355627 /nfs/dbraw/zinc/35/56/27/692355627.db2.gz IXVRJDRFCMMJEC-UHFFFAOYSA-N 1 2 341.390 2.077 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001060001906 692475755 /nfs/dbraw/zinc/47/57/55/692475755.db2.gz JFXRKECWISDCQV-IAGOWNOFSA-N 1 2 346.475 2.230 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)cn2)C(C)(C)C1 ZINC000977640933 692868722 /nfs/dbraw/zinc/86/87/22/692868722.db2.gz BBFPBSHGKBEDIH-OAHLLOKOSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)cn2)C(C)(C)C1 ZINC000977640933 692868727 /nfs/dbraw/zinc/86/87/27/692868727.db2.gz BBFPBSHGKBEDIH-OAHLLOKOSA-N 1 2 336.867 2.340 20 30 EEEDLO CCn1ncc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)c1C ZINC001032068815 1192105705 /nfs/dbraw/zinc/10/57/05/1192105705.db2.gz PUPYEKPOSFNNOV-UHFFFAOYSA-N 1 2 343.456 2.006 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCCCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000943504211 1192315172 /nfs/dbraw/zinc/31/51/72/1192315172.db2.gz ADLPMAUTNAPVKM-MRXNPFEDSA-N 1 2 344.459 2.196 20 30 EEEDLO Cc1nc(NCCN(CCc2ccccc2)C(=O)[C@@H](C)C#N)cc[nH+]1 ZINC001089881291 1192640006 /nfs/dbraw/zinc/64/00/06/1192640006.db2.gz ZUZNQGNSHQQUCY-HNNXBMFYSA-N 1 2 337.427 2.428 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccc3nccn3c2)C1 ZINC001032119836 1192651563 /nfs/dbraw/zinc/65/15/63/1192651563.db2.gz AEVYQBQXASBUGN-UHFFFAOYSA-N 1 2 345.406 2.068 20 30 EEEDLO C[N@H+](CCNC(=O)c1cccc2n[nH]cc21)Cc1ccccc1C#N ZINC001690966711 1176392042 /nfs/dbraw/zinc/39/20/42/1176392042.db2.gz QATTUVFAWANEEY-UHFFFAOYSA-N 1 2 333.395 2.296 20 30 EEEDLO C[N@@H+](CCNC(=O)c1cccc2n[nH]cc21)Cc1ccccc1C#N ZINC001690966711 1176392050 /nfs/dbraw/zinc/39/20/50/1176392050.db2.gz QATTUVFAWANEEY-UHFFFAOYSA-N 1 2 333.395 2.296 20 30 EEEDLO COc1cccc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)c1 ZINC001032149303 1192779231 /nfs/dbraw/zinc/77/92/31/1192779231.db2.gz ZZXFODGVZIGFPN-UHFFFAOYSA-N 1 2 335.407 2.429 20 30 EEEDLO C=C(Br)CN(CC)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001481003624 1179462699 /nfs/dbraw/zinc/46/26/99/1179462699.db2.gz HVAAXQMKYJFRIS-CYBMUJFWSA-N 1 2 343.269 2.181 20 30 EEEDLO CCOCCCC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001481685277 1182206492 /nfs/dbraw/zinc/20/64/92/1182206492.db2.gz LZLZIMDWRBABIS-INIZCTEOSA-N 1 2 333.407 2.205 20 30 EEEDLO CCOCCCC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001481685277 1182206497 /nfs/dbraw/zinc/20/64/97/1182206497.db2.gz LZLZIMDWRBABIS-INIZCTEOSA-N 1 2 333.407 2.205 20 30 EEEDLO CC(C)CCc1noc(C[NH2+][C@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)n1 ZINC000995559847 1193149363 /nfs/dbraw/zinc/14/93/63/1193149363.db2.gz KYEYFEDTZQDMGZ-KBPBESRZSA-N 1 2 347.463 2.144 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccon2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088478292 1186988969 /nfs/dbraw/zinc/98/89/69/1186988969.db2.gz RTCCIHYLRPMPGK-ABAIWWIYSA-N 1 2 328.347 2.078 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccon2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088478292 1186988972 /nfs/dbraw/zinc/98/89/72/1186988972.db2.gz RTCCIHYLRPMPGK-ABAIWWIYSA-N 1 2 328.347 2.078 20 30 EEEDLO C[C@H](C#N)C(=O)N(C)CC[N@H+](C)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC001482586355 1187000310 /nfs/dbraw/zinc/00/03/10/1187000310.db2.gz JNAVTFANSILUFK-KGLIPLIRSA-N 1 2 341.415 2.347 20 30 EEEDLO C[C@H](C#N)C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC001482586355 1187000313 /nfs/dbraw/zinc/00/03/13/1187000313.db2.gz JNAVTFANSILUFK-KGLIPLIRSA-N 1 2 341.415 2.347 20 30 EEEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N)cc1F ZINC001482586784 1187002421 /nfs/dbraw/zinc/00/24/21/1187002421.db2.gz QZNZNBXLJUUZIP-KGLIPLIRSA-N 1 2 348.422 2.011 20 30 EEEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H](C)C#N)cc1F ZINC001482586784 1187002424 /nfs/dbraw/zinc/00/24/24/1187002424.db2.gz QZNZNBXLJUUZIP-KGLIPLIRSA-N 1 2 348.422 2.011 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cnc(Cl)cc1C)C2 ZINC001272778764 1193493349 /nfs/dbraw/zinc/49/33/49/1193493349.db2.gz AYXRNYDDPBGYJW-SFHVURJKSA-N 1 2 349.862 2.280 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cnc(Cl)cc1C)C2 ZINC001272778764 1193493350 /nfs/dbraw/zinc/49/33/50/1193493350.db2.gz AYXRNYDDPBGYJW-SFHVURJKSA-N 1 2 349.862 2.280 20 30 EEEDLO C#CCOCCC(=O)N(CC)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001126817787 1188449716 /nfs/dbraw/zinc/44/97/16/1188449716.db2.gz FISUEGXRAQJCOY-QGZVFWFLSA-N 1 2 344.459 2.032 20 30 EEEDLO CN(C(=O)CCc1[nH]cc[nH+]1)C1CC(Nc2cccc(F)c2C#N)C1 ZINC001126919594 1188744759 /nfs/dbraw/zinc/74/47/59/1188744759.db2.gz DKOGYPFNTZITRI-UHFFFAOYSA-N 1 2 341.390 2.455 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001076532735 1188973245 /nfs/dbraw/zinc/97/32/45/1188973245.db2.gz PDXMHIDRZUPRSM-LSDHHAIUSA-N 1 2 346.475 2.059 20 30 EEEDLO C=CCCC(=O)N[C@@H](C)CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001077389649 1189513669 /nfs/dbraw/zinc/51/36/69/1189513669.db2.gz JCWCDEKHFQIKMH-HNNXBMFYSA-N 1 2 342.443 2.162 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1c[nH]nc1-c1cccnc1 ZINC001409623731 1190118104 /nfs/dbraw/zinc/11/81/04/1190118104.db2.gz NGLPUYCJLMMPRR-LBPRGKRZSA-N 1 2 333.823 2.274 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1c[nH]nc1-c1cccnc1 ZINC001409623731 1190118106 /nfs/dbraw/zinc/11/81/06/1190118106.db2.gz NGLPUYCJLMMPRR-LBPRGKRZSA-N 1 2 333.823 2.274 20 30 EEEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cnc(Cl)cc1OC)CC2 ZINC001272476683 1190842172 /nfs/dbraw/zinc/84/21/72/1190842172.db2.gz QGVNSYXYKQLZLN-CQSZACIVSA-N 1 2 347.846 2.095 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1CCN(CC(F)F)CC1 ZINC001485343729 1191747444 /nfs/dbraw/zinc/74/74/44/1191747444.db2.gz KJNPSUYCYRSMFM-GFCCVEGCSA-N 1 2 337.842 2.153 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1CCN(CC(F)F)CC1 ZINC001485343729 1191747446 /nfs/dbraw/zinc/74/74/46/1191747446.db2.gz KJNPSUYCYRSMFM-GFCCVEGCSA-N 1 2 337.842 2.153 20 30 EEEDLO C=CCOc1ccccc1C[NH+]1CC2(C1)COCC(=O)N2CC(=C)C ZINC001272941654 1193809738 /nfs/dbraw/zinc/80/97/38/1193809738.db2.gz FOIIZRJOIQDNIU-UHFFFAOYSA-N 1 2 342.439 2.241 20 30 EEEDLO Cc1cnoc1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033550886 1194703310 /nfs/dbraw/zinc/70/33/10/1194703310.db2.gz KZZARDAOUQDASP-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1cnoc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033550886 1194703311 /nfs/dbraw/zinc/70/33/11/1194703311.db2.gz KZZARDAOUQDASP-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO CCn1cnc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001033587355 1194916056 /nfs/dbraw/zinc/91/60/56/1194916056.db2.gz FMWHLXKTVRPNMH-KRWDZBQOSA-N 1 2 337.427 2.121 20 30 EEEDLO CCn1cnc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001033587355 1194916058 /nfs/dbraw/zinc/91/60/58/1194916058.db2.gz FMWHLXKTVRPNMH-KRWDZBQOSA-N 1 2 337.427 2.121 20 30 EEEDLO Cc1nc(C[NH+]2CCC(N(C)C(=O)c3ccc(C#N)[nH]3)CC2)cs1 ZINC001005260007 1195002005 /nfs/dbraw/zinc/00/20/05/1195002005.db2.gz MDZDGPVPYQWMQB-UHFFFAOYSA-N 1 2 343.456 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN2C(=O)CCC)C1 ZINC001033686606 1195069791 /nfs/dbraw/zinc/06/97/91/1195069791.db2.gz WJKHMNJSVSVCCB-LSDHHAIUSA-N 1 2 341.883 2.063 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN2C(=O)CCC)C1 ZINC001033686606 1195069792 /nfs/dbraw/zinc/06/97/92/1195069792.db2.gz WJKHMNJSVSVCCB-LSDHHAIUSA-N 1 2 341.883 2.063 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033801563 1195302889 /nfs/dbraw/zinc/30/28/89/1195302889.db2.gz UQAAIOXYNAXUGA-INIZCTEOSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033801563 1195302892 /nfs/dbraw/zinc/30/28/92/1195302892.db2.gz UQAAIOXYNAXUGA-INIZCTEOSA-N 1 2 341.390 2.157 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3nccn3C2)C1 ZINC001033881497 1195438437 /nfs/dbraw/zinc/43/84/37/1195438437.db2.gz RXFOGBBZYLXION-GJZGRUSLSA-N 1 2 336.867 2.121 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3nccn3C2)C1 ZINC001033881497 1195438439 /nfs/dbraw/zinc/43/84/39/1195438439.db2.gz RXFOGBBZYLXION-GJZGRUSLSA-N 1 2 336.867 2.121 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3cc(C)on3)C2)c1 ZINC001034390605 1196177651 /nfs/dbraw/zinc/17/76/51/1196177651.db2.gz BOUDPTGISKEFCF-QGZVFWFLSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCCC[N@H+](Cc3cc(C)on3)C2)c1 ZINC001034390605 1196177653 /nfs/dbraw/zinc/17/76/53/1196177653.db2.gz BOUDPTGISKEFCF-QGZVFWFLSA-N 1 2 338.411 2.144 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](c2ccncc2)C(C)C)C1 ZINC001108160876 1196739940 /nfs/dbraw/zinc/73/99/40/1196739940.db2.gz WAGISKREDBPHEM-UYAOXDASSA-N 1 2 343.471 2.052 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](c2ccncc2)C(C)C)C1 ZINC001108160876 1196739943 /nfs/dbraw/zinc/73/99/43/1196739943.db2.gz WAGISKREDBPHEM-UYAOXDASSA-N 1 2 343.471 2.052 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](c2ccncc2)C(C)C)C1 ZINC001108160932 1196740662 /nfs/dbraw/zinc/74/06/62/1196740662.db2.gz XHCRLUXWDKYMOM-PKOBYXMFSA-N 1 2 331.460 2.214 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](c2ccncc2)C(C)C)C1 ZINC001108160932 1196740665 /nfs/dbraw/zinc/74/06/65/1196740665.db2.gz XHCRLUXWDKYMOM-PKOBYXMFSA-N 1 2 331.460 2.214 20 30 EEEDLO Cc1cc(C[NH2+]Cc2ccc(CNC(=O)c3cc(C#N)c[nH]3)cc2)no1 ZINC001034814419 1196768617 /nfs/dbraw/zinc/76/86/17/1196768617.db2.gz CZKRCZCNTXQIJS-UHFFFAOYSA-N 1 2 349.394 2.403 20 30 EEEDLO CCOc1ccncc1C[N@@H+]1CCC[C@]12CCN(CCCC#N)C2=O ZINC001273199550 1197485990 /nfs/dbraw/zinc/48/59/90/1197485990.db2.gz IVTXKHNVAXWAOJ-LJQANCHMSA-N 1 2 342.443 2.351 20 30 EEEDLO CCOc1ccncc1C[N@H+]1CCC[C@]12CCN(CCCC#N)C2=O ZINC001273199550 1197485991 /nfs/dbraw/zinc/48/59/91/1197485991.db2.gz IVTXKHNVAXWAOJ-LJQANCHMSA-N 1 2 342.443 2.351 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCO1)C2 ZINC001095321107 1197886084 /nfs/dbraw/zinc/88/60/84/1197886084.db2.gz ABQLSTSIHCMLIY-XWSJACJDSA-N 1 2 339.439 2.349 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCO1)C2 ZINC001095321107 1197886090 /nfs/dbraw/zinc/88/60/90/1197886090.db2.gz ABQLSTSIHCMLIY-XWSJACJDSA-N 1 2 339.439 2.349 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(OC)cccc1OC ZINC001018213516 1224477265 /nfs/dbraw/zinc/47/72/65/1224477265.db2.gz SXNHAOWIRGBREF-GASCZTMLSA-N 1 2 328.412 2.016 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(OC)cccc1OC ZINC001018213516 1224477269 /nfs/dbraw/zinc/47/72/69/1224477269.db2.gz SXNHAOWIRGBREF-GASCZTMLSA-N 1 2 328.412 2.016 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1c(C)cccc1C ZINC001018242315 1224515598 /nfs/dbraw/zinc/51/55/98/1224515598.db2.gz VQIWSUGTGORJCD-HDICACEKSA-N 1 2 326.440 2.381 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1c(C)cccc1C ZINC001018242315 1224515604 /nfs/dbraw/zinc/51/56/04/1224515604.db2.gz VQIWSUGTGORJCD-HDICACEKSA-N 1 2 326.440 2.381 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874707070 1198957884 /nfs/dbraw/zinc/95/78/84/1198957884.db2.gz FNGXLNVXEGYCFI-OAHLLOKOSA-N 1 2 348.443 2.101 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874707070 1198957887 /nfs/dbraw/zinc/95/78/87/1198957887.db2.gz FNGXLNVXEGYCFI-OAHLLOKOSA-N 1 2 348.443 2.101 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC001132001895 1199188262 /nfs/dbraw/zinc/18/82/62/1199188262.db2.gz FCNINSYQGMBCLK-FUHWJXTLSA-N 1 2 341.455 2.398 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccccc2)C1 ZINC001132001895 1199188267 /nfs/dbraw/zinc/18/82/67/1199188267.db2.gz FCNINSYQGMBCLK-FUHWJXTLSA-N 1 2 341.455 2.398 20 30 EEEDLO COc1cncc(C[N@@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)n1 ZINC001132038548 1199223431 /nfs/dbraw/zinc/22/34/31/1199223431.db2.gz SYHGZDVWQJZGFH-GJZGRUSLSA-N 1 2 344.459 2.004 20 30 EEEDLO COc1cncc(C[N@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)n1 ZINC001132038548 1199223433 /nfs/dbraw/zinc/22/34/33/1199223433.db2.gz SYHGZDVWQJZGFH-GJZGRUSLSA-N 1 2 344.459 2.004 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(OC)no2)C1 ZINC001132235324 1199466349 /nfs/dbraw/zinc/46/63/49/1199466349.db2.gz LPBQHPFNNPVDQK-CABCVRRESA-N 1 2 333.432 2.346 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(OC)no2)C1 ZINC001132235324 1199466353 /nfs/dbraw/zinc/46/63/53/1199466353.db2.gz LPBQHPFNNPVDQK-CABCVRRESA-N 1 2 333.432 2.346 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132227175 1199466958 /nfs/dbraw/zinc/46/69/58/1199466958.db2.gz AKQHYPOBCYDIBY-LSDHHAIUSA-N 1 2 337.508 2.330 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132227175 1199466961 /nfs/dbraw/zinc/46/69/61/1199466961.db2.gz AKQHYPOBCYDIBY-LSDHHAIUSA-N 1 2 337.508 2.330 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=O)NCCC)C2)CCC1 ZINC001132282772 1199515610 /nfs/dbraw/zinc/51/56/10/1199515610.db2.gz MRHHUUWVIMDHMC-JKSUJKDBSA-N 1 2 335.492 2.228 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(=O)NCCC)C2)CCC1 ZINC001132282772 1199515619 /nfs/dbraw/zinc/51/56/19/1199515619.db2.gz MRHHUUWVIMDHMC-JKSUJKDBSA-N 1 2 335.492 2.228 20 30 EEEDLO CC(=O)[C@@](C#N)(CC[NH+]1CCN(c2cnccn2)CC1)c1ccccc1 ZINC000877995389 1200204597 /nfs/dbraw/zinc/20/45/97/1200204597.db2.gz FZOMCGQYOYJDON-FQEVSTJZSA-N 1 2 349.438 2.039 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cccc(OC)c1 ZINC001018314659 1224599570 /nfs/dbraw/zinc/59/95/70/1224599570.db2.gz UYVDVGFOGDXABD-RYQLBKOJSA-N 1 2 326.440 2.497 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cccc(OC)c1 ZINC001018314659 1224599573 /nfs/dbraw/zinc/59/95/73/1224599573.db2.gz UYVDVGFOGDXABD-RYQLBKOJSA-N 1 2 326.440 2.497 20 30 EEEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000811732156 1200274708 /nfs/dbraw/zinc/27/47/08/1200274708.db2.gz NHOSDZOYSZUAKZ-SJORKVTESA-N 1 2 327.428 2.364 20 30 EEEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000811732156 1200274712 /nfs/dbraw/zinc/27/47/12/1200274712.db2.gz NHOSDZOYSZUAKZ-SJORKVTESA-N 1 2 327.428 2.364 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O)c1ccccc1 ZINC000878467395 1200487346 /nfs/dbraw/zinc/48/73/46/1200487346.db2.gz WKTDVKUJUDZCHG-DKSSEZFCSA-N 1 2 327.428 2.013 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O)c1ccccc1 ZINC000878467395 1200487352 /nfs/dbraw/zinc/48/73/52/1200487352.db2.gz WKTDVKUJUDZCHG-DKSSEZFCSA-N 1 2 327.428 2.013 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001018402102 1224680062 /nfs/dbraw/zinc/68/00/62/1224680062.db2.gz ZABZTUSZOMMKKL-HOCLYGCPSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001018402102 1224680066 /nfs/dbraw/zinc/68/00/66/1224680066.db2.gz ZABZTUSZOMMKKL-HOCLYGCPSA-N 1 2 344.459 2.194 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001114441830 1201962459 /nfs/dbraw/zinc/96/24/59/1201962459.db2.gz VBBPJJMSOSPDIM-ZFWWWQNUSA-N 1 2 332.448 2.097 20 30 EEEDLO CCCCCCC[C@H](C)C(=O)N1C[C@@H](C(N)=O)[C@H](c2cn(C)c[nH+]2)C1 ZINC001273982678 1202196568 /nfs/dbraw/zinc/19/65/68/1202196568.db2.gz QMKOMFZKPYGTAM-ARFHVFGLSA-N 1 2 348.491 2.444 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(C(F)F)c2)C1 ZINC000885511306 1202420673 /nfs/dbraw/zinc/42/06/73/1202420673.db2.gz FLVVUWUSNPGRHE-CYBMUJFWSA-N 1 2 328.384 2.000 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(C(F)F)c2)C1 ZINC000885511306 1202420674 /nfs/dbraw/zinc/42/06/74/1202420674.db2.gz FLVVUWUSNPGRHE-CYBMUJFWSA-N 1 2 328.384 2.000 20 30 EEEDLO CC(C)N(C(=O)CO[NH+]=C(N)Cc1cccnc1)c1ccccc1 ZINC000137645992 1202492423 /nfs/dbraw/zinc/49/24/23/1202492423.db2.gz WPJVIGMDHJXUAJ-UHFFFAOYSA-N 1 2 326.400 2.355 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095359556 1204173694 /nfs/dbraw/zinc/17/36/94/1204173694.db2.gz NETDPBNTNXOPRA-HNNXBMFYSA-N 1 2 346.475 2.326 20 30 EEEDLO CC(C)=CCN1C(=O)COCC12C[NH+](Cc1ccc(C#N)cc1C)C2 ZINC001274030406 1204336358 /nfs/dbraw/zinc/33/63/58/1204336358.db2.gz LURAXZWGNPCYCD-UHFFFAOYSA-N 1 2 339.439 2.246 20 30 EEEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001274228223 1204917773 /nfs/dbraw/zinc/91/77/73/1204917773.db2.gz PSDAITODQCJGIU-AWEZNQCLSA-N 1 2 332.831 2.397 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cnc(OC)cn1 ZINC001274232691 1204971216 /nfs/dbraw/zinc/97/12/16/1204971216.db2.gz GQGKGBKQXWJOJG-SFHVURJKSA-N 1 2 330.432 2.018 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cnc(OC)cn1 ZINC001274232691 1204971218 /nfs/dbraw/zinc/97/12/18/1204971218.db2.gz GQGKGBKQXWJOJG-SFHVURJKSA-N 1 2 330.432 2.018 20 30 EEEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(O)c(F)c(F)c1)CC2 ZINC001274807655 1205173445 /nfs/dbraw/zinc/17/34/45/1205173445.db2.gz AEMGHJLFKSPXBO-CYBMUJFWSA-N 1 2 334.366 2.022 20 30 EEEDLO Cc1nonc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000926117626 1206194356 /nfs/dbraw/zinc/19/43/56/1206194356.db2.gz ZVNPRTAWKYSCBD-ABAIWWIYSA-N 1 2 325.372 2.096 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccnn2C)CC1 ZINC001110987769 1206554447 /nfs/dbraw/zinc/55/44/47/1206554447.db2.gz DPVRFOTZWSXUON-OIISXLGYSA-N 1 2 328.460 2.388 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccnn2C)CC1 ZINC001110987769 1206554448 /nfs/dbraw/zinc/55/44/48/1206554448.db2.gz DPVRFOTZWSXUON-OIISXLGYSA-N 1 2 328.460 2.388 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@]1(O)CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 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YKRFZZFSTHQETP-IBGZPJMESA-N 1 2 348.450 2.182 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cn2c(n1)CCC2 ZINC000948920210 1209453539 /nfs/dbraw/zinc/45/35/39/1209453539.db2.gz YKRFZZFSTHQETP-IBGZPJMESA-N 1 2 348.450 2.182 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(OCC)nc1 ZINC000948923416 1209454630 /nfs/dbraw/zinc/45/46/30/1209454630.db2.gz IQMAAXXNSARXSX-IBGZPJMESA-N 1 2 349.434 2.443 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(OCC)nc1 ZINC000948923416 1209454633 /nfs/dbraw/zinc/45/46/33/1209454633.db2.gz IQMAAXXNSARXSX-IBGZPJMESA-N 1 2 349.434 2.443 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ncc(C)cc1OC ZINC000948923171 1209454978 /nfs/dbraw/zinc/45/49/78/1209454978.db2.gz BIWOYYFUBAHKOX-SFHVURJKSA-N 1 2 349.434 2.361 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ncc(C)cc1OC ZINC000948923171 1209454980 /nfs/dbraw/zinc/45/49/80/1209454980.db2.gz BIWOYYFUBAHKOX-SFHVURJKSA-N 1 2 349.434 2.361 20 30 EEEDLO N#CCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000948957436 1209473676 /nfs/dbraw/zinc/47/36/76/1209473676.db2.gz FZOGOMNODWZZMU-WMZOPIPTSA-N 1 2 349.438 2.069 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnn(CC2CC2)c1 ZINC000948979662 1209486145 /nfs/dbraw/zinc/48/61/45/1209486145.db2.gz ZKONVMKSOVNXOG-FQEVSTJZSA-N 1 2 348.450 2.256 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnn(CC2CC2)c1 ZINC000948979662 1209486148 /nfs/dbraw/zinc/48/61/48/1209486148.db2.gz ZKONVMKSOVNXOG-FQEVSTJZSA-N 1 2 348.450 2.256 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3nc(C(C)C)oc3C)CC2)C1 ZINC000949366192 1209652889 /nfs/dbraw/zinc/65/28/89/1209652889.db2.gz XOJWAYXQRWTOAV-UHFFFAOYSA-N 1 2 345.443 2.047 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3nc(C(C)C)oc3C)CC2)C1 ZINC000949366192 1209652891 /nfs/dbraw/zinc/65/28/91/1209652891.db2.gz XOJWAYXQRWTOAV-UHFFFAOYSA-N 1 2 345.443 2.047 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)CC2)C1 ZINC000949373404 1209655756 /nfs/dbraw/zinc/65/57/56/1209655756.db2.gz SPCJQONQIOBWPN-GOSISDBHSA-N 1 2 330.472 2.450 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)CC2)C1 ZINC000949373404 1209655759 /nfs/dbraw/zinc/65/57/59/1209655759.db2.gz SPCJQONQIOBWPN-GOSISDBHSA-N 1 2 330.472 2.450 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC[C@@H]4C[C@@H]4CC3)CC2)C1 ZINC000949423689 1209679640 /nfs/dbraw/zinc/67/96/40/1209679640.db2.gz LDRXDHNYGRPRMY-BCDXTJNWSA-N 1 2 330.472 2.139 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC[C@@H]4C[C@@H]4CC3)CC2)C1 ZINC000949423689 1209679645 /nfs/dbraw/zinc/67/96/45/1209679645.db2.gz LDRXDHNYGRPRMY-BCDXTJNWSA-N 1 2 330.472 2.139 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(Cl)cs3)CC2)C1 ZINC000949486313 1209710258 /nfs/dbraw/zinc/71/02/58/1209710258.db2.gz AIUFPAQYXUPBAZ-UHFFFAOYSA-N 1 2 338.860 2.342 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc(Cl)cs3)CC2)C1 ZINC000949486313 1209710259 /nfs/dbraw/zinc/71/02/59/1209710259.db2.gz AIUFPAQYXUPBAZ-UHFFFAOYSA-N 1 2 338.860 2.342 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CC(C3CC3)C3CC3)CC2)C1 ZINC000949531644 1209730921 /nfs/dbraw/zinc/73/09/21/1209730921.db2.gz NKQVMCHPEKAKLO-UHFFFAOYSA-N 1 2 330.472 2.139 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CC(C3CC3)C3CC3)CC2)C1 ZINC000949531644 1209730923 /nfs/dbraw/zinc/73/09/23/1209730923.db2.gz NKQVMCHPEKAKLO-UHFFFAOYSA-N 1 2 330.472 2.139 20 30 EEEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[C@@H](F)C3)CC2)cc1 ZINC000949888438 1209907282 /nfs/dbraw/zinc/90/72/82/1209907282.db2.gz IYENGNVBFDJRJV-DLBZAZTESA-N 1 2 345.418 2.371 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2cccc(OC)c2)C1 ZINC000949919336 1209924197 /nfs/dbraw/zinc/92/41/97/1209924197.db2.gz UOOWBLLJAURDRT-UHFFFAOYSA-N 1 2 338.411 2.241 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCCCC)C2 ZINC001111313626 1210195389 /nfs/dbraw/zinc/19/53/89/1210195389.db2.gz OEZQMKPMGDNTNU-KURKYZTESA-N 1 2 347.503 2.208 20 30 EEEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCCCC)C2 ZINC001111313626 1210195392 /nfs/dbraw/zinc/19/53/92/1210195392.db2.gz OEZQMKPMGDNTNU-KURKYZTESA-N 1 2 347.503 2.208 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[NH+](CCOc3ccccc3C)CC2)c1 ZINC000950411389 1210196074 /nfs/dbraw/zinc/19/60/74/1210196074.db2.gz ZZJOZLMDCQVANA-UHFFFAOYSA-N 1 2 349.434 2.208 20 30 EEEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)Cc3ccco3)CC2)cc1 ZINC000952360788 1211383225 /nfs/dbraw/zinc/38/32/25/1211383225.db2.gz ZQJUYHQASAJARF-UHFFFAOYSA-N 1 2 339.395 2.069 20 30 EEEDLO C=CCn1cc(C(=O)N(CC)C2C[NH+](Cc3cccc(C)c3)C2)nn1 ZINC000952425377 1211415445 /nfs/dbraw/zinc/41/54/45/1211415445.db2.gz OGOHHCQTTOFNSX-UHFFFAOYSA-N 1 2 339.443 2.119 20 30 EEEDLO C=CCn1cc(C(=O)N(CC)C2C[NH+](CC3=CCCCC3)C2)nn1 ZINC000952426674 1211416642 /nfs/dbraw/zinc/41/66/42/1211416642.db2.gz CUKBYCKOZYQFFJ-UHFFFAOYSA-N 1 2 329.448 2.111 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NCCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001095865162 1211572053 /nfs/dbraw/zinc/57/20/53/1211572053.db2.gz QYAWVDJSRHDORG-LJQANCHMSA-N 1 2 346.475 2.322 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCc1nc(C)no1)C2 ZINC001111403089 1211604221 /nfs/dbraw/zinc/60/42/21/1211604221.db2.gz ZRDCHDRCOANZTN-MCIONIFRSA-N 1 2 338.839 2.175 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCc1nc(C)no1)C2 ZINC001111403089 1211604222 /nfs/dbraw/zinc/60/42/22/1211604222.db2.gz ZRDCHDRCOANZTN-MCIONIFRSA-N 1 2 338.839 2.175 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncc(C)s3)C2)cc1 ZINC001015482716 1225314711 /nfs/dbraw/zinc/31/47/11/1225314711.db2.gz PQOWMUZNXHJSLM-MRXNPFEDSA-N 1 2 325.437 2.437 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ncc(C)s3)C2)cc1 ZINC001015482716 1225314719 /nfs/dbraw/zinc/31/47/19/1225314719.db2.gz PQOWMUZNXHJSLM-MRXNPFEDSA-N 1 2 325.437 2.437 20 30 EEEDLO C[C@H](C#N)Oc1ccc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000245546969 1212439262 /nfs/dbraw/zinc/43/92/62/1212439262.db2.gz WCEJKSTWSFKSCC-CJNGLKHVSA-N 1 2 334.441 2.129 20 30 EEEDLO C[C@H](C#N)Oc1ccc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000245546969 1212439265 /nfs/dbraw/zinc/43/92/65/1212439265.db2.gz WCEJKSTWSFKSCC-CJNGLKHVSA-N 1 2 334.441 2.129 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001015592285 1225436754 /nfs/dbraw/zinc/43/67/54/1225436754.db2.gz XGTBSEGXURZYBY-GDBMZVCRSA-N 1 2 344.459 2.100 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H](C)C2)C1 ZINC000955756792 1213317613 /nfs/dbraw/zinc/31/76/13/1213317613.db2.gz RMKCFZOOPFESPR-HOTGVXAUSA-N 1 2 344.459 2.125 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H](C)C2)C1 ZINC000955762704 1213321198 /nfs/dbraw/zinc/32/11/98/1213321198.db2.gz ZVXVCYHXERJJJH-UKRRQHHQSA-N 1 2 344.459 2.113 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[NH+]([C@H]3CCN(C(=O)/C(C)=C\C)C3)CC2)C1 ZINC000956606327 1214127897 /nfs/dbraw/zinc/12/78/97/1214127897.db2.gz SBQIACSVYIXWBD-JVMBSBNBSA-N 1 2 345.487 2.054 20 30 EEEDLO Cc1nc(N2C[C@@H]3CC[C@H](NC(=O)C#CC(C)C)C[C@@H]3C2)cc[nH+]1 ZINC001114654247 1214405259 /nfs/dbraw/zinc/40/52/59/1214405259.db2.gz QRTCHDMBMWIHDY-BBWFWOEESA-N 1 2 326.444 2.166 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ocnc3C3CC3)C2)s1 ZINC001015703634 1225568940 /nfs/dbraw/zinc/56/89/40/1225568940.db2.gz KRARJBQIPLCQQI-GFCCVEGCSA-N 1 2 342.424 2.489 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ocnc3C3CC3)C2)s1 ZINC001015703634 1225568945 /nfs/dbraw/zinc/56/89/45/1225568945.db2.gz KRARJBQIPLCQQI-GFCCVEGCSA-N 1 2 342.424 2.489 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc4c([nH]3)CCC4)CC2)cc1 ZINC000957295735 1215030033 /nfs/dbraw/zinc/03/00/33/1215030033.db2.gz OBAFNOSNZGTBQO-UHFFFAOYSA-N 1 2 334.423 2.333 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](CCOc3cccc(C)c3)CC2)nc1 ZINC000957378833 1215088618 /nfs/dbraw/zinc/08/86/18/1215088618.db2.gz KPINTLNESHHSSB-UHFFFAOYSA-N 1 2 349.434 2.208 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@](C)(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000957542650 1215196839 /nfs/dbraw/zinc/19/68/39/1215196839.db2.gz IRZOSPCYUHQRCF-BFUOFWGJSA-N 1 2 344.459 2.149 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)c(C)o1 ZINC000958575624 1215776930 /nfs/dbraw/zinc/77/69/30/1215776930.db2.gz CANCYYIQDOYZHW-IMRBUKKESA-N 1 2 339.233 2.465 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)c(C)o1 ZINC000958575624 1215776935 /nfs/dbraw/zinc/77/69/35/1215776935.db2.gz CANCYYIQDOYZHW-IMRBUKKESA-N 1 2 339.233 2.465 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001014563637 1226779145 /nfs/dbraw/zinc/77/91/45/1226779145.db2.gz YJMIIETVFUPSJY-NSHDSACASA-N 1 2 332.782 2.072 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001014563637 1226779151 /nfs/dbraw/zinc/77/91/51/1226779151.db2.gz YJMIIETVFUPSJY-NSHDSACASA-N 1 2 332.782 2.072 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncc(C)o1 ZINC000960927492 1216977839 /nfs/dbraw/zinc/97/78/39/1216977839.db2.gz LSEUXALJUXRXNT-RYRKJORJSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncc(C)o1 ZINC000960927492 1216977840 /nfs/dbraw/zinc/97/78/40/1216977840.db2.gz LSEUXALJUXRXNT-RYRKJORJSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001015828913 1225717115 /nfs/dbraw/zinc/71/71/15/1225717115.db2.gz MILADMSXXJOWNE-ZVZYQTTQSA-N 1 2 345.443 2.224 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001015828913 1225717121 /nfs/dbraw/zinc/71/71/21/1225717121.db2.gz MILADMSXXJOWNE-ZVZYQTTQSA-N 1 2 345.443 2.224 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]([C@H]3CCN(CC#N)C3)C2)c[nH+]1 ZINC000961187167 1217076544 /nfs/dbraw/zinc/07/65/44/1217076544.db2.gz BDDUJXREQMCFTR-SJORKVTESA-N 1 2 343.475 2.011 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CCn1cc[nH+]c1 ZINC000963441976 1217632902 /nfs/dbraw/zinc/63/29/02/1217632902.db2.gz JWLXLWGOCWWACL-JKSUJKDBSA-N 1 2 344.459 2.077 20 30 EEEDLO COc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)o1 ZINC001015892867 1225795627 /nfs/dbraw/zinc/79/56/27/1225795627.db2.gz GKCZQPCGGFMYPI-CQSZACIVSA-N 1 2 343.358 2.303 20 30 EEEDLO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)o1 ZINC001015892867 1225795632 /nfs/dbraw/zinc/79/56/32/1225795632.db2.gz GKCZQPCGGFMYPI-CQSZACIVSA-N 1 2 343.358 2.303 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ncccc3F)C2)s1 ZINC001015900726 1225804401 /nfs/dbraw/zinc/80/44/01/1225804401.db2.gz ODRHPFWJWHBHEP-LLVKDONJSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ncccc3F)C2)s1 ZINC001015900726 1225804404 /nfs/dbraw/zinc/80/44/04/1225804404.db2.gz ODRHPFWJWHBHEP-LLVKDONJSA-N 1 2 330.388 2.158 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@H]2C)on1 ZINC000964999963 1218793990 /nfs/dbraw/zinc/79/39/90/1218793990.db2.gz MYACXTIDHKDEMI-QAPCUYQASA-N 1 2 337.423 2.475 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[N@H+](CC#Cc3ccccc3)CC[C@H]2C)on1 ZINC000964999963 1218793993 /nfs/dbraw/zinc/79/39/93/1218793993.db2.gz MYACXTIDHKDEMI-QAPCUYQASA-N 1 2 337.423 2.475 20 30 EEEDLO COc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001015933547 1225850194 /nfs/dbraw/zinc/85/01/94/1225850194.db2.gz ZDZDTOHVZWKBEK-GFCCVEGCSA-N 1 2 342.424 2.028 20 30 EEEDLO COc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001015933547 1225850196 /nfs/dbraw/zinc/85/01/96/1225850196.db2.gz ZDZDTOHVZWKBEK-GFCCVEGCSA-N 1 2 342.424 2.028 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C)co1 ZINC000965941099 1219382316 /nfs/dbraw/zinc/38/23/16/1219382316.db2.gz NQNVDXFOJBXJTL-SUMWQHHRSA-N 1 2 338.411 2.495 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)CC[C@@H]2C)co1 ZINC000965941099 1219382320 /nfs/dbraw/zinc/38/23/20/1219382320.db2.gz NQNVDXFOJBXJTL-SUMWQHHRSA-N 1 2 338.411 2.495 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C)nn1 ZINC000966044059 1219463822 /nfs/dbraw/zinc/46/38/22/1219463822.db2.gz FCSOLOZGFZMYPY-IFXJQAMLSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)CC[C@@H]2C)nn1 ZINC000966044059 1219463824 /nfs/dbraw/zinc/46/38/24/1219463824.db2.gz FCSOLOZGFZMYPY-IFXJQAMLSA-N 1 2 349.438 2.297 20 30 EEEDLO C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2scnc2C(F)(F)F)C1 ZINC000966817848 1220041719 /nfs/dbraw/zinc/04/17/19/1220041719.db2.gz XKOIPOVYKOCOKA-NXEZZACHSA-N 1 2 331.363 2.235 20 30 EEEDLO C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2scnc2C(F)(F)F)C1 ZINC000966817848 1220041722 /nfs/dbraw/zinc/04/17/22/1220041722.db2.gz XKOIPOVYKOCOKA-NXEZZACHSA-N 1 2 331.363 2.235 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc3[nH]c(=O)[nH]c32)C1 ZINC000966815202 1220038999 /nfs/dbraw/zinc/03/89/99/1220038999.db2.gz SEVUOLKASGSSRO-YGRLFVJLSA-N 1 2 348.834 2.461 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc3[nH]c(=O)[nH]c32)C1 ZINC000966815202 1220039000 /nfs/dbraw/zinc/03/90/00/1220039000.db2.gz SEVUOLKASGSSRO-YGRLFVJLSA-N 1 2 348.834 2.461 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000967647600 1220706360 /nfs/dbraw/zinc/70/63/60/1220706360.db2.gz RJUZNZGPBMCQFA-MRXNPFEDSA-N 1 2 344.459 2.148 20 30 EEEDLO N#CCOc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccco2)cc1 ZINC001038005869 1221026496 /nfs/dbraw/zinc/02/64/96/1221026496.db2.gz CHSQCMFRGCNNNY-OAHLLOKOSA-N 1 2 325.368 2.186 20 30 EEEDLO N#CCOc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccco2)cc1 ZINC001038005869 1221026499 /nfs/dbraw/zinc/02/64/99/1221026499.db2.gz CHSQCMFRGCNNNY-OAHLLOKOSA-N 1 2 325.368 2.186 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3cnc(C)cn3)CC[C@H]2C)C1 ZINC000968273373 1221168413 /nfs/dbraw/zinc/16/84/13/1221168413.db2.gz HNSIJVAWNAEBQL-PBHICJAKSA-N 1 2 328.460 2.468 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3cnc(C)cn3)CC[C@H]2C)C1 ZINC000968273373 1221168414 /nfs/dbraw/zinc/16/84/14/1221168414.db2.gz HNSIJVAWNAEBQL-PBHICJAKSA-N 1 2 328.460 2.468 20 30 EEEDLO C=CCCn1cc(C(=O)N[C@H]2C[N@@H+](CC(=C)Cl)CC[C@H]2C)nn1 ZINC000968409046 1221282258 /nfs/dbraw/zinc/28/22/58/1221282258.db2.gz IQAOFQZMEOSGJG-OCCSQVGLSA-N 1 2 337.855 2.047 20 30 EEEDLO C=CCCn1cc(C(=O)N[C@H]2C[N@H+](CC(=C)Cl)CC[C@H]2C)nn1 ZINC000968409046 1221282263 /nfs/dbraw/zinc/28/22/63/1221282263.db2.gz IQAOFQZMEOSGJG-OCCSQVGLSA-N 1 2 337.855 2.047 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2nccn3cc(C)nc23)C1 ZINC000968517933 1221371662 /nfs/dbraw/zinc/37/16/62/1221371662.db2.gz VNWZRVVSZHWOPE-SMDDNHRTSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2nccn3cc(C)nc23)C1 ZINC000968517933 1221371665 /nfs/dbraw/zinc/37/16/65/1221371665.db2.gz VNWZRVVSZHWOPE-SMDDNHRTSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnn3ccc(C)nc23)C1 ZINC000968557146 1221401028 /nfs/dbraw/zinc/40/10/28/1221401028.db2.gz KLOUDINSNCMPIY-IAQYHMDHSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnn3ccc(C)nc23)C1 ZINC000968557146 1221401029 /nfs/dbraw/zinc/40/10/29/1221401029.db2.gz KLOUDINSNCMPIY-IAQYHMDHSA-N 1 2 347.850 2.230 20 30 EEEDLO CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000968858693 1221627976 /nfs/dbraw/zinc/62/79/76/1221627976.db2.gz IUJADRJIIYBLRU-CVEARBPZSA-N 1 2 328.460 2.214 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@H+](Cc3nc4ccccc4o3)C2)c1 ZINC001007054730 1222076375 /nfs/dbraw/zinc/07/63/75/1222076375.db2.gz FUIDFNRFWWFYMG-CQSZACIVSA-N 1 2 349.394 2.422 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](Cc3nc4ccccc4o3)C2)c1 ZINC001007054730 1222076376 /nfs/dbraw/zinc/07/63/76/1222076376.db2.gz FUIDFNRFWWFYMG-CQSZACIVSA-N 1 2 349.394 2.422 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC001007122703 1222102302 /nfs/dbraw/zinc/10/23/02/1222102302.db2.gz SERVGLWOJCQLSP-RBUKOAKNSA-N 1 2 326.440 2.188 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC001007122703 1222102304 /nfs/dbraw/zinc/10/23/04/1222102304.db2.gz SERVGLWOJCQLSP-RBUKOAKNSA-N 1 2 326.440 2.188 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001007402125 1222208711 /nfs/dbraw/zinc/20/87/11/1222208711.db2.gz UGXKEUCOTYHYTA-CQSZACIVSA-N 1 2 333.819 2.128 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001007402125 1222208713 /nfs/dbraw/zinc/20/87/13/1222208713.db2.gz UGXKEUCOTYHYTA-CQSZACIVSA-N 1 2 333.819 2.128 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(C)ns3)C2)c1 ZINC001008467653 1222862345 /nfs/dbraw/zinc/86/23/45/1222862345.db2.gz FNLDWVUYLAUQHO-INIZCTEOSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(C)ns3)C2)c1 ZINC001008467653 1222862350 /nfs/dbraw/zinc/86/23/50/1222862350.db2.gz FNLDWVUYLAUQHO-INIZCTEOSA-N 1 2 340.452 2.222 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)O1 ZINC001008599621 1222953567 /nfs/dbraw/zinc/95/35/67/1222953567.db2.gz SPMMUVZBRPRZNJ-MZMPZRCHSA-N 1 2 345.418 2.345 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)O1 ZINC001008599621 1222953570 /nfs/dbraw/zinc/95/35/70/1222953570.db2.gz SPMMUVZBRPRZNJ-MZMPZRCHSA-N 1 2 345.418 2.345 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nc(C)oc2C)C1 ZINC001008845619 1223055325 /nfs/dbraw/zinc/05/53/25/1223055325.db2.gz LAJJBAOXHHGNMC-BQFCYCMXSA-N 1 2 347.459 2.353 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001008845619 1223055328 /nfs/dbraw/zinc/05/53/28/1223055328.db2.gz LAJJBAOXHHGNMC-BQFCYCMXSA-N 1 2 347.459 2.353 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc3ccccc3n2)C1 ZINC001009231347 1223183357 /nfs/dbraw/zinc/18/33/57/1223183357.db2.gz KBEPHVJMMNOCFC-OAHLLOKOSA-N 1 2 332.835 2.369 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc3ccccc3n2)C1 ZINC001009231347 1223183358 /nfs/dbraw/zinc/18/33/58/1223183358.db2.gz KBEPHVJMMNOCFC-OAHLLOKOSA-N 1 2 332.835 2.369 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001009748491 1223354006 /nfs/dbraw/zinc/35/40/06/1223354006.db2.gz HPJVHQPNKBSUAF-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001009748491 1223354009 /nfs/dbraw/zinc/35/40/09/1223354009.db2.gz HPJVHQPNKBSUAF-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccnc(F)c3)C2)cc1F ZINC001010356203 1223678344 /nfs/dbraw/zinc/67/83/44/1223678344.db2.gz AALTVFFWDBAGRK-OAHLLOKOSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccnc(F)c3)C2)cc1F ZINC001010356203 1223678346 /nfs/dbraw/zinc/67/83/46/1223678346.db2.gz AALTVFFWDBAGRK-OAHLLOKOSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)cc3F)C2)c1 ZINC001010457582 1223729052 /nfs/dbraw/zinc/72/90/52/1223729052.db2.gz MZVWIQCUSJIEQC-AWEZNQCLSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)cc3F)C2)c1 ZINC001010457582 1223729057 /nfs/dbraw/zinc/72/90/57/1223729057.db2.gz MZVWIQCUSJIEQC-AWEZNQCLSA-N 1 2 330.338 2.169 20 30 EEEDLO COc1ccc(F)cc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010656664 1223836305 /nfs/dbraw/zinc/83/63/05/1223836305.db2.gz MURPVVPJFWSKRH-OAHLLOKOSA-N 1 2 342.374 2.038 20 30 EEEDLO COc1ccc(F)cc1C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010656664 1223836308 /nfs/dbraw/zinc/83/63/08/1223836308.db2.gz MURPVVPJFWSKRH-OAHLLOKOSA-N 1 2 342.374 2.038 20 30 EEEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(O)ccc3Cl)C2)c[nH]1 ZINC001010694236 1223854564 /nfs/dbraw/zinc/85/45/64/1223854564.db2.gz CAUMMHVLEVUNHJ-ZDUSSCGKSA-N 1 2 344.802 2.250 20 30 EEEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(O)ccc3Cl)C2)c[nH]1 ZINC001010694236 1223854568 /nfs/dbraw/zinc/85/45/68/1223854568.db2.gz CAUMMHVLEVUNHJ-ZDUSSCGKSA-N 1 2 344.802 2.250 20 30 EEEDLO CCc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)co1 ZINC001010698953 1223856569 /nfs/dbraw/zinc/85/65/69/1223856569.db2.gz DRKVSCKASXUMNX-LLVKDONJSA-N 1 2 330.413 2.174 20 30 EEEDLO CCc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)co1 ZINC001010698953 1223856570 /nfs/dbraw/zinc/85/65/70/1223856570.db2.gz DRKVSCKASXUMNX-LLVKDONJSA-N 1 2 330.413 2.174 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCOCC3)C2)c1 ZINC001010809677 1223917802 /nfs/dbraw/zinc/91/78/02/1223917802.db2.gz UDRDXEMGPBHLOQ-NVXWUHKLSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCOCC3)C2)c1 ZINC001010809677 1223917804 /nfs/dbraw/zinc/91/78/04/1223917804.db2.gz UDRDXEMGPBHLOQ-NVXWUHKLSA-N 1 2 345.418 2.205 20 30 EEEDLO C=CCCC(=O)N(C)CCCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001066988288 1223985591 /nfs/dbraw/zinc/98/55/91/1223985591.db2.gz HGTQNTHJGCXTPD-UHFFFAOYSA-N 1 2 334.464 2.200 20 30 EEEDLO CCc1onc(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001016228726 1226228641 /nfs/dbraw/zinc/22/86/41/1226228641.db2.gz HXYPSRGKUWYCEL-GFCCVEGCSA-N 1 2 344.440 2.483 20 30 EEEDLO CCc1onc(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001016228726 1226228645 /nfs/dbraw/zinc/22/86/45/1226228645.db2.gz HXYPSRGKUWYCEL-GFCCVEGCSA-N 1 2 344.440 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C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(C)CCCC2)C1=O ZINC001017776666 1227720350 /nfs/dbraw/zinc/72/03/50/1227720350.db2.gz JZVIERKNEKRIOG-BBWFWOEESA-N 1 2 345.487 2.029 20 30 EEEDLO C[C@H]([NH2+][C@H]1CCN(C(=O)C#CC2CC2)C1)c1nc(C(C)(C)C)no1 ZINC001018819463 1228428786 /nfs/dbraw/zinc/42/87/86/1228428786.db2.gz WIYBAOSLVZABIF-JSGCOSHPSA-N 1 2 330.432 2.032 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CCO[C@H]2C2CC2)s1 ZINC001038535295 1229902574 /nfs/dbraw/zinc/90/25/74/1229902574.db2.gz DJJFCFBYEXKTTB-XKQJLSEDSA-N 1 2 345.468 2.125 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CCO[C@H]2C2CC2)s1 ZINC001038535295 1229902576 /nfs/dbraw/zinc/90/25/76/1229902576.db2.gz DJJFCFBYEXKTTB-XKQJLSEDSA-N 1 2 345.468 2.125 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2CCn2c(C)csc2=O)CC1 ZINC001038666873 1229962780 /nfs/dbraw/zinc/96/27/80/1229962780.db2.gz KEICYDBDQGVDQF-MRXNPFEDSA-N 1 2 349.500 2.155 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCn2c(C)csc2=O)CC1 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LPWDVAOPQAJHFG-TWMKSMIVSA-N 1 2 345.443 2.139 20 30 EEEDLO Cc1nc(N(C)C[C@H]2CCCCN2C(=O)[C@H](C)C#N)c(C)c(C)[nH+]1 ZINC001039950806 1230924610 /nfs/dbraw/zinc/92/46/10/1230924610.db2.gz KWFJVAHQAUCAGE-MLGOLLRUSA-N 1 2 329.448 2.379 20 30 EEEDLO Cc1nc(N(C)C[C@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001039959548 1230931289 /nfs/dbraw/zinc/93/12/89/1230931289.db2.gz CAXTXTVKNSTVKA-MRXNPFEDSA-N 1 2 338.415 2.116 20 30 EEEDLO C=C(Cl)CN1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040526649 1231276651 /nfs/dbraw/zinc/27/66/51/1231276651.db2.gz BXSBJZKEKVRGNH-KRWDZBQOSA-N 1 2 336.867 2.259 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)Cn3ccnc3C)C2)C1 ZINC001040526649 1231276655 /nfs/dbraw/zinc/27/66/55/1231276655.db2.gz BXSBJZKEKVRGNH-KRWDZBQOSA-N 1 2 336.867 2.259 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3ccnc3C)C2)C1 ZINC001040526649 1231276656 /nfs/dbraw/zinc/27/66/56/1231276656.db2.gz BXSBJZKEKVRGNH-KRWDZBQOSA-N 1 2 336.867 2.259 20 30 EEEDLO CCCc1nnc(C[N@@H+]2CC[C@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)s1 ZINC001041147896 1231453084 /nfs/dbraw/zinc/45/30/84/1231453084.db2.gz VSUQRTCKTWIUNC-DYVFJYSZSA-N 1 2 347.488 2.075 20 30 EEEDLO CCCc1nnc(C[N@H+]2CC[C@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)s1 ZINC001041147896 1231453085 /nfs/dbraw/zinc/45/30/85/1231453085.db2.gz VSUQRTCKTWIUNC-DYVFJYSZSA-N 1 2 347.488 2.075 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)C(F)F)C[C@@H]21 ZINC001041879700 1231745021 /nfs/dbraw/zinc/74/50/21/1231745021.db2.gz NFPWIWAEUUXBQU-ABAIWWIYSA-N 1 2 337.345 2.385 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)C(F)F)C[C@@H]21 ZINC001041879700 1231745022 /nfs/dbraw/zinc/74/50/22/1231745022.db2.gz NFPWIWAEUUXBQU-ABAIWWIYSA-N 1 2 337.345 2.385 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001042181360 1231940776 /nfs/dbraw/zinc/94/07/76/1231940776.db2.gz GCYQRANQCRCWHV-RDJZCZTQSA-N 1 2 345.491 2.241 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001042181360 1231940777 /nfs/dbraw/zinc/94/07/77/1231940777.db2.gz GCYQRANQCRCWHV-RDJZCZTQSA-N 1 2 345.491 2.241 20 30 EEEDLO C=CCC(C)(C)C(=O)NCCCN(CC)c1[nH+]cnc2c1cnn2C ZINC001095971347 1232755948 /nfs/dbraw/zinc/75/59/48/1232755948.db2.gz FRXXMGDBDIYSPT-UHFFFAOYSA-N 1 2 344.463 2.298 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(OC)nn2)C1 ZINC001095982486 1233051040 /nfs/dbraw/zinc/05/10/40/1233051040.db2.gz CEKUSSBXBHESAE-PMPSAXMXSA-N 1 2 342.443 2.063 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(OC)nn2)C1 ZINC001095982486 1233051045 /nfs/dbraw/zinc/05/10/45/1233051045.db2.gz CEKUSSBXBHESAE-PMPSAXMXSA-N 1 2 342.443 2.063 20 30 EEEDLO CC1(NC(=O)c2cc(C#N)c[nH]2)CC[NH+](Cc2nccs2)CC1 ZINC001045401335 1233721488 /nfs/dbraw/zinc/72/14/88/1233721488.db2.gz KOQWMMMEUVAJOI-UHFFFAOYSA-N 1 2 329.429 2.127 20 30 EEEDLO CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)CC1 ZINC001045506398 1233784390 /nfs/dbraw/zinc/78/43/90/1233784390.db2.gz MKQZYVGTFASJAO-RHSMWYFYSA-N 1 2 328.460 2.070 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2cc(C)on2)CC1 ZINC001045560815 1233817911 /nfs/dbraw/zinc/81/79/11/1233817911.db2.gz WKWMHZPQTHUBLP-CVEARBPZSA-N 1 2 333.432 2.045 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCN([C@H]2CC[N@H+](Cc3cscn3)C2)CC1 ZINC001046049585 1234374801 /nfs/dbraw/zinc/37/48/01/1234374801.db2.gz SETDCMRRFLYABD-INIZCTEOSA-N 1 2 348.516 2.074 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3cscn3)C2)CC1 ZINC001046049585 1234374804 /nfs/dbraw/zinc/37/48/04/1234374804.db2.gz SETDCMRRFLYABD-INIZCTEOSA-N 1 2 348.516 2.074 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(Cc3cscn3)C2)CC1 ZINC001046049585 1234374808 /nfs/dbraw/zinc/37/48/08/1234374808.db2.gz SETDCMRRFLYABD-INIZCTEOSA-N 1 2 348.516 2.074 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001046252487 1234596118 /nfs/dbraw/zinc/59/61/18/1234596118.db2.gz BBRBGEAAGYYFRH-SFHVURJKSA-N 1 2 340.431 2.058 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001046252487 1234596119 /nfs/dbraw/zinc/59/61/19/1234596119.db2.gz BBRBGEAAGYYFRH-SFHVURJKSA-N 1 2 340.431 2.058 20 30 EEEDLO C[C@@]1(NC(=O)C2=CCOCC2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046259823 1234604055 /nfs/dbraw/zinc/60/40/55/1234604055.db2.gz SEBDQOZMYKBRIV-LJQANCHMSA-N 1 2 343.402 2.125 20 30 EEEDLO C[C@@]1(NC(=O)C2=CCOCC2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046259823 1234604056 /nfs/dbraw/zinc/60/40/56/1234604056.db2.gz SEBDQOZMYKBRIV-LJQANCHMSA-N 1 2 343.402 2.125 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@@H+](Cc2coc(C)n2)C1 ZINC001046373706 1234723054 /nfs/dbraw/zinc/72/30/54/1234723054.db2.gz GLWMAHOWUAXLNS-GOSISDBHSA-N 1 2 328.416 2.365 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@H+](Cc2coc(C)n2)C1 ZINC001046373706 1234723059 /nfs/dbraw/zinc/72/30/59/1234723059.db2.gz GLWMAHOWUAXLNS-GOSISDBHSA-N 1 2 328.416 2.365 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cn3c(n2)CC[C@@H](C)C3)C1 ZINC001046417221 1234779609 /nfs/dbraw/zinc/77/96/09/1234779609.db2.gz CLOQXUDTYIMFLE-PXAZEXFGSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cn3c(n2)CC[C@@H](C)C3)C1 ZINC001046417221 1234779614 /nfs/dbraw/zinc/77/96/14/1234779614.db2.gz CLOQXUDTYIMFLE-PXAZEXFGSA-N 1 2 336.867 2.412 20 30 EEEDLO Cc1nc(N2CCC(N(C)C(=O)[C@H](C)C#N)CC2)c2c([nH+]1)CCCC2 ZINC001096100413 1234858357 /nfs/dbraw/zinc/85/83/57/1234858357.db2.gz HANSKTNILIPLRC-CYBMUJFWSA-N 1 2 341.459 2.251 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](Cc3cc(C)n(C)n3)C2)cc1 ZINC001046530506 1234912543 /nfs/dbraw/zinc/91/25/43/1234912543.db2.gz HWLVXPDSQBRDBM-HXUWFJFHSA-N 1 2 336.439 2.104 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](Cc3cc(C)n(C)n3)C2)cc1 ZINC001046530506 1234912547 /nfs/dbraw/zinc/91/25/47/1234912547.db2.gz HWLVXPDSQBRDBM-HXUWFJFHSA-N 1 2 336.439 2.104 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](Cc3cc(OC)no3)C2)cc1 ZINC001046533959 1234916138 /nfs/dbraw/zinc/91/61/38/1234916138.db2.gz ZPYZIVVXBFVZNY-LJQANCHMSA-N 1 2 339.395 2.059 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](Cc3cc(OC)no3)C2)cc1 ZINC001046533959 1234916141 /nfs/dbraw/zinc/91/61/41/1234916141.db2.gz ZPYZIVVXBFVZNY-LJQANCHMSA-N 1 2 339.395 2.059 20 30 EEEDLO Cc1nc(NC[C@H]2c3ccccc3CCN2C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001067699901 1249404298 /nfs/dbraw/zinc/40/42/98/1249404298.db2.gz OUIJGHLITULNEZ-DYVFJYSZSA-N 1 2 335.411 2.483 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001067715080 1249423747 /nfs/dbraw/zinc/42/37/47/1249423747.db2.gz LQPGZODYXMRGLI-IAGOWNOFSA-N 1 2 348.491 2.428 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001046858518 1235255358 /nfs/dbraw/zinc/25/53/58/1235255358.db2.gz PZCDXPPVAXAATK-QGZVFWFLSA-N 1 2 348.834 2.226 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001046858518 1235255361 /nfs/dbraw/zinc/25/53/61/1235255361.db2.gz PZCDXPPVAXAATK-QGZVFWFLSA-N 1 2 348.834 2.226 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](C2CCN(CC#N)CC2)C1 ZINC001047258193 1235763717 /nfs/dbraw/zinc/76/37/17/1235763717.db2.gz WVQGIDBPXXXWOQ-WBVHZDCISA-N 1 2 343.475 2.062 20 30 EEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](C2CCN(CC#N)CC2)C1 ZINC001047258193 1235763724 /nfs/dbraw/zinc/76/37/24/1235763724.db2.gz WVQGIDBPXXXWOQ-WBVHZDCISA-N 1 2 343.475 2.062 20 30 EEEDLO CCn1c[nH+]cc1/C=C/C(=O)c1ccc(OCC(=O)N(C)C)cc1 ZINC000901435468 1235794976 /nfs/dbraw/zinc/79/49/76/1235794976.db2.gz ATVUAEONLJCLPD-JXMROGBWSA-N 1 2 327.384 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(NC(C)=O)c1)C2 ZINC001096206983 1236146574 /nfs/dbraw/zinc/14/65/74/1236146574.db2.gz QEHFZZYDMFTEKP-ILXRZTDVSA-N 1 2 348.834 2.128 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(NC(C)=O)c1)C2 ZINC001096206983 1236146580 /nfs/dbraw/zinc/14/65/80/1236146580.db2.gz QEHFZZYDMFTEKP-ILXRZTDVSA-N 1 2 348.834 2.128 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nc(CC(C)C)no2)C1 ZINC001054976087 1249501270 /nfs/dbraw/zinc/50/12/70/1249501270.db2.gz ITUPNBWBMICCQZ-UONOGXRCSA-N 1 2 334.464 2.417 20 30 EEEDLO Cc1nc(NC[C@@H]2C[C@H](C)CCN2C(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001048085824 1237082440 /nfs/dbraw/zinc/08/24/40/1237082440.db2.gz ZNPRXCJTAPJILG-WBMJQRKESA-N 1 2 338.415 2.338 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096316312 1237340414 /nfs/dbraw/zinc/34/04/14/1237340414.db2.gz DSQCCTYMJJXOIA-GOEBONIOSA-N 1 2 344.459 2.339 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1CN(C)c1[nH+]cnc2c1cnn2C ZINC001067785218 1249605296 /nfs/dbraw/zinc/60/52/96/1249605296.db2.gz FMSOKTLBQLURIW-CYBMUJFWSA-N 1 2 342.447 2.003 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001056536876 1239434061 /nfs/dbraw/zinc/43/40/61/1239434061.db2.gz BTPTWAFBZDGFIU-IRXDYDNUSA-N 1 2 344.459 2.291 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001056536876 1239434063 /nfs/dbraw/zinc/43/40/63/1239434063.db2.gz BTPTWAFBZDGFIU-IRXDYDNUSA-N 1 2 344.459 2.291 20 30 EEEDLO N#Cc1c(F)cccc1N[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001056807363 1239805145 /nfs/dbraw/zinc/80/51/45/1239805145.db2.gz AGOJEZGUNIKVAM-CYBMUJFWSA-N 1 2 327.363 2.066 20 30 EEEDLO N#Cc1c(F)cccc1N[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001056807363 1239805151 /nfs/dbraw/zinc/80/51/51/1239805151.db2.gz AGOJEZGUNIKVAM-CYBMUJFWSA-N 1 2 327.363 2.066 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(CC)s4)C[C@@H]3C2)C1 ZINC001049043699 1239834158 /nfs/dbraw/zinc/83/41/58/1239834158.db2.gz RNMXEGJPHVQJHY-OKILXGFUSA-N 1 2 346.500 2.347 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(CC)s4)C[C@@H]3C2)C1 ZINC001049043699 1239834167 /nfs/dbraw/zinc/83/41/67/1239834167.db2.gz RNMXEGJPHVQJHY-OKILXGFUSA-N 1 2 346.500 2.347 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+]2CC=C(CNC(=O)c3cc(C#N)c[nH]3)CC2)o1 ZINC001000563165 1240520665 /nfs/dbraw/zinc/52/06/65/1240520665.db2.gz MLXOQYVLQJVZFT-ZDUSSCGKSA-N 1 2 339.399 2.306 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+]2CC=C(CNC(=O)c3cc(C#N)c[nH]3)CC2)o1 ZINC001000563165 1240520671 /nfs/dbraw/zinc/52/06/71/1240520671.db2.gz MLXOQYVLQJVZFT-ZDUSSCGKSA-N 1 2 339.399 2.306 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCCc3c[nH]nc32)CC1 ZINC001000685201 1240730642 /nfs/dbraw/zinc/73/06/42/1240730642.db2.gz GJHXAIOZBIDHRL-OAHLLOKOSA-N 1 2 334.851 2.330 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCc3c[nH]nc32)CC1 ZINC001000685201 1240730647 /nfs/dbraw/zinc/73/06/47/1240730647.db2.gz GJHXAIOZBIDHRL-OAHLLOKOSA-N 1 2 334.851 2.330 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cnc3n[nH]cc3c2)CC1 ZINC001000836530 1241017966 /nfs/dbraw/zinc/01/79/66/1241017966.db2.gz XGTRXSJJFSGFPX-UHFFFAOYSA-N 1 2 331.807 2.072 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cnc3n[nH]cc3c2)CC1 ZINC001000836530 1241017969 /nfs/dbraw/zinc/01/79/69/1241017969.db2.gz XGTRXSJJFSGFPX-UHFFFAOYSA-N 1 2 331.807 2.072 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H](C)CO2)CC1 ZINC001000972289 1241345405 /nfs/dbraw/zinc/34/54/05/1241345405.db2.gz WWMXUNLYZNDVFS-FZMZJTMJSA-N 1 2 343.265 2.068 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H](C)CO2)CC1 ZINC001000972289 1241345412 /nfs/dbraw/zinc/34/54/12/1241345412.db2.gz WWMXUNLYZNDVFS-FZMZJTMJSA-N 1 2 343.265 2.068 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cn(CC)nn1 ZINC001049633715 1241716334 /nfs/dbraw/zinc/71/63/34/1241716334.db2.gz LLJZGNKRDPGTGG-SJORKVTESA-N 1 2 345.491 2.466 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cn(CC)nn1 ZINC001049633715 1241716340 /nfs/dbraw/zinc/71/63/40/1241716340.db2.gz LLJZGNKRDPGTGG-SJORKVTESA-N 1 2 345.491 2.466 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001067918037 1249969611 /nfs/dbraw/zinc/96/96/11/1249969611.db2.gz OYJOQVCWQGZPKN-INIZCTEOSA-N 1 2 348.491 2.262 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1(C)C ZINC001073405670 1242441911 /nfs/dbraw/zinc/44/19/11/1242441911.db2.gz DZUACSNFDOQUMY-INIZCTEOSA-N 1 2 346.475 2.360 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001073927912 1242778905 /nfs/dbraw/zinc/77/89/05/1242778905.db2.gz VGOPAYNHFJGWDM-LSDHHAIUSA-N 1 2 346.475 2.298 20 30 EEEDLO N#Cc1ccc(N[C@@H]2CCCCCN(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC001049972935 1242937380 /nfs/dbraw/zinc/93/73/80/1242937380.db2.gz UOHSQELZDMJNIJ-MRXNPFEDSA-N 1 2 338.415 2.102 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](Nc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001096779181 1243247835 /nfs/dbraw/zinc/24/78/35/1243247835.db2.gz RWRAHITVRCPULS-DOMZBBRYSA-N 1 2 346.479 2.155 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001096978220 1243516303 /nfs/dbraw/zinc/51/63/03/1243516303.db2.gz BZVOXRYIQFOSJI-AWEZNQCLSA-N 1 2 343.475 2.080 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001096978220 1243516308 /nfs/dbraw/zinc/51/63/08/1243516308.db2.gz BZVOXRYIQFOSJI-AWEZNQCLSA-N 1 2 343.475 2.080 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c(C)nn(C)c1C)C2 ZINC001097592921 1244396311 /nfs/dbraw/zinc/39/63/11/1244396311.db2.gz AWSRJNHMOWFRKL-BMFZPTHFSA-N 1 2 336.867 2.053 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c(C)nn(C)c1C)C2 ZINC001097592921 1244396319 /nfs/dbraw/zinc/39/63/19/1244396319.db2.gz AWSRJNHMOWFRKL-BMFZPTHFSA-N 1 2 336.867 2.053 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001050817823 1244436562 /nfs/dbraw/zinc/43/65/62/1244436562.db2.gz WEANJQLNSHZEET-HOCLYGCPSA-N 1 2 344.459 2.074 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CCCC2CCCC2)[nH]1 ZINC001050879231 1244540590 /nfs/dbraw/zinc/54/05/90/1244540590.db2.gz KIZOJBYKUYKBBN-QGZVFWFLSA-N 1 2 344.459 2.287 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CCCC2CCCC2)[nH]1 ZINC001050879231 1244540595 /nfs/dbraw/zinc/54/05/95/1244540595.db2.gz KIZOJBYKUYKBBN-QGZVFWFLSA-N 1 2 344.459 2.287 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001050887372 1244554694 /nfs/dbraw/zinc/55/46/94/1244554694.db2.gz ZDDKZEQSKAHILG-HZPDHXFCSA-N 1 2 346.475 2.062 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2n[nH]cc2F)C3)s1 ZINC001097797681 1244598867 /nfs/dbraw/zinc/59/88/67/1244598867.db2.gz QPUSDFIQYDMCTK-FZQKWOKYSA-N 1 2 345.403 2.017 20 30 EEEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2n[nH]cc2F)C3)s1 ZINC001097797681 1244598877 /nfs/dbraw/zinc/59/88/77/1244598877.db2.gz QPUSDFIQYDMCTK-FZQKWOKYSA-N 1 2 345.403 2.017 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnn1C1CCC1 ZINC001050921283 1244632525 /nfs/dbraw/zinc/63/25/25/1244632525.db2.gz DZCNBJDPQZJHJP-MRXNPFEDSA-N 1 2 332.448 2.005 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnn1C1CCC1 ZINC001050921283 1244632537 /nfs/dbraw/zinc/63/25/37/1244632537.db2.gz DZCNBJDPQZJHJP-MRXNPFEDSA-N 1 2 332.448 2.005 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2cccnc2n1 ZINC001050927541 1244644361 /nfs/dbraw/zinc/64/43/61/1244644361.db2.gz MZBGGXLZDKYCJS-MRXNPFEDSA-N 1 2 340.427 2.027 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2cccnc2n1 ZINC001050927541 1244644366 /nfs/dbraw/zinc/64/43/66/1244644366.db2.gz MZBGGXLZDKYCJS-MRXNPFEDSA-N 1 2 340.427 2.027 20 30 EEEDLO C=CCOc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CCCC)cc1 ZINC001050988189 1244791921 /nfs/dbraw/zinc/79/19/21/1244791921.db2.gz BMHUEBVHDHNTOE-QGZVFWFLSA-N 1 2 332.444 2.482 20 30 EEEDLO C=CCOc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CCCC)cc1 ZINC001050988189 1244791928 /nfs/dbraw/zinc/79/19/28/1244791928.db2.gz BMHUEBVHDHNTOE-QGZVFWFLSA-N 1 2 332.444 2.482 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2COCC[N@@H+]2CC[C@@H]2CCCO2)CC1 ZINC001051100300 1244980834 /nfs/dbraw/zinc/98/08/34/1244980834.db2.gz RAYAVWAWEBBOMY-ROUUACIJSA-N 1 2 336.476 2.119 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2COCC[N@H+]2CC[C@@H]2CCCO2)CC1 ZINC001051100300 1244980845 /nfs/dbraw/zinc/98/08/45/1244980845.db2.gz RAYAVWAWEBBOMY-ROUUACIJSA-N 1 2 336.476 2.119 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc(C)nc1C(C)C 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345.443 2.020 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2[nH]c(C)nc2c1 ZINC001051189075 1245366835 /nfs/dbraw/zinc/36/68/35/1245366835.db2.gz MWUBJXPUCISEBP-INIZCTEOSA-N 1 2 342.443 2.268 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2[nH]c(C)nc2c1 ZINC001051189075 1245366839 /nfs/dbraw/zinc/36/68/39/1245366839.db2.gz MWUBJXPUCISEBP-INIZCTEOSA-N 1 2 342.443 2.268 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c[nH]nc1C1CCCCC1 ZINC001051201338 1245381981 /nfs/dbraw/zinc/38/19/81/1245381981.db2.gz JWXBAORDJXCFMR-MRXNPFEDSA-N 1 2 346.475 2.464 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c[nH]nc1C1CCCCC1 ZINC001051201338 1245381989 /nfs/dbraw/zinc/38/19/89/1245381989.db2.gz JWXBAORDJXCFMR-MRXNPFEDSA-N 1 2 346.475 2.464 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001051211016 1245395347 /nfs/dbraw/zinc/39/53/47/1245395347.db2.gz SMXTXLPOQUJUIG-LPHOPBHVSA-N 1 2 344.455 2.082 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1Cc2c(cccc2C)O1 ZINC001051211016 1245395353 /nfs/dbraw/zinc/39/53/53/1245395353.db2.gz SMXTXLPOQUJUIG-LPHOPBHVSA-N 1 2 344.455 2.082 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001051218847 1245404925 /nfs/dbraw/zinc/40/49/25/1245404925.db2.gz JUNYAPVHTCGMPS-MRXNPFEDSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001051218847 1245404928 /nfs/dbraw/zinc/40/49/28/1245404928.db2.gz JUNYAPVHTCGMPS-MRXNPFEDSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1CCC(C(F)F)CC1 ZINC001051228534 1245415478 /nfs/dbraw/zinc/41/54/78/1245415478.db2.gz JQVYVARPGCNDRV-YMAMQOFZSA-N 1 2 330.419 2.451 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1CCC(C(F)F)CC1 ZINC001051228534 1245415480 /nfs/dbraw/zinc/41/54/80/1245415480.db2.gz JQVYVARPGCNDRV-YMAMQOFZSA-N 1 2 330.419 2.451 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2nccnc2c1 ZINC001051240247 1245429498 /nfs/dbraw/zinc/42/94/98/1245429498.db2.gz MSYXCJQTZGWBNM-INIZCTEOSA-N 1 2 340.427 2.027 20 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C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(C)noc1C(C)C)O2 ZINC001053609962 1246528858 /nfs/dbraw/zinc/52/88/58/1246528858.db2.gz GWCKBBGQAYYHMJ-AWEZNQCLSA-N 1 2 333.432 2.256 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCCC1(F)F)O2 ZINC001053638241 1246571865 /nfs/dbraw/zinc/57/18/65/1246571865.db2.gz JDZPSWCJUBAOOP-ZIAGYGMSSA-N 1 2 328.403 2.348 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccn(CC)c1C)O2 ZINC001053647639 1246585261 /nfs/dbraw/zinc/58/52/61/1246585261.db2.gz ZVYLNPNZTSEQGQ-MRXNPFEDSA-N 1 2 331.460 2.356 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCc3cccnc31)O2 ZINC001053647455 1246585341 /nfs/dbraw/zinc/58/53/41/1246585341.db2.gz VIFQTMAQRZXBIJ-SJORKVTESA-N 1 2 341.455 2.037 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnoc1C(C)C)O2 ZINC001053683300 1246641339 /nfs/dbraw/zinc/64/13/39/1246641339.db2.gz QXIPSYMIBVUVLS-CQSZACIVSA-N 1 2 333.432 2.337 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nc(C3CC3)oc1C)O2 ZINC001053685471 1246646516 /nfs/dbraw/zinc/64/65/16/1246646516.db2.gz QVPHYVRQZAQVEC-HNNXBMFYSA-N 1 2 345.443 2.400 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nc(C)c(C)s1)O2 ZINC001053695720 1246668087 /nfs/dbraw/zinc/66/80/87/1246668087.db2.gz QPDDRBPVEAFDFE-AWEZNQCLSA-N 1 2 335.473 2.299 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(OC(C)C)cn1)O2 ZINC001053704480 1246683527 /nfs/dbraw/zinc/68/35/27/1246683527.db2.gz HCVBWPIDQKGRNA-MRXNPFEDSA-N 1 2 345.443 2.018 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2COC3(C[NH+](C[C@H]4CCCCO4)C3)C2)CC1 ZINC001053914320 1247006511 /nfs/dbraw/zinc/00/65/11/1247006511.db2.gz KKVDSQANURUFCR-QZTJIDSGSA-N 1 2 348.487 2.261 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3ccccc3C1)CO2 ZINC001053936979 1247034122 /nfs/dbraw/zinc/03/41/22/1247034122.db2.gz WXRBVHYWXOXPNH-OALUTQOASA-N 1 2 340.467 2.327 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1(c3ccccc3F)CC1)CO2 ZINC001053971599 1247084446 /nfs/dbraw/zinc/08/44/46/1247084446.db2.gz NQXOBBYQHDOSDX-HNNXBMFYSA-N 1 2 344.430 2.393 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn([C@H](C)CC)c1C)CO2 ZINC001053977201 1247096540 /nfs/dbraw/zinc/09/65/40/1247096540.db2.gz PDQDNFUPQVUKBE-GDBMZVCRSA-N 1 2 346.475 2.312 20 30 EEEDLO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(OC)no1 ZINC001054036033 1247190398 /nfs/dbraw/zinc/19/03/98/1247190398.db2.gz AKKWJWAZPSLLNM-OAHLLOKOSA-N 1 2 327.384 2.026 20 30 EEEDLO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(OC)no1 ZINC001054036033 1247190400 /nfs/dbraw/zinc/19/04/00/1247190400.db2.gz AKKWJWAZPSLLNM-OAHLLOKOSA-N 1 2 327.384 2.026 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccn(C(C)C)n1 ZINC001054056166 1247253080 /nfs/dbraw/zinc/25/30/80/1247253080.db2.gz ZVLFWSPHAHFLGB-GOSISDBHSA-N 1 2 336.439 2.254 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccn(C(C)C)n1 ZINC001054056166 1247253089 /nfs/dbraw/zinc/25/30/89/1247253089.db2.gz ZVLFWSPHAHFLGB-GOSISDBHSA-N 1 2 336.439 2.254 20 30 EEEDLO C[C@@H](CC(=O)N1CCC[C@H](Nc2ccc(C#N)nc2)C1)n1cc[nH+]c1 ZINC001057764023 1247294988 /nfs/dbraw/zinc/29/49/88/1247294988.db2.gz LGJQGHFMTXYRJQ-YOEHRIQHSA-N 1 2 338.415 2.204 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cnc4[nH]c(C)nc4c3)cc2C1 ZINC001054268535 1247949609 /nfs/dbraw/zinc/94/96/09/1247949609.db2.gz OUCZAXQZOZYBKA-UHFFFAOYSA-N 1 2 345.406 2.145 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cnc4[nH]c(C)nc4c3)cc2C1 ZINC001054268535 1247949624 /nfs/dbraw/zinc/94/96/24/1247949624.db2.gz OUCZAXQZOZYBKA-UHFFFAOYSA-N 1 2 345.406 2.145 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCc4cncn4C3)cc2C1 ZINC001054270849 1247959093 /nfs/dbraw/zinc/95/90/93/1247959093.db2.gz CFTLYNHVZZFRJX-GOSISDBHSA-N 1 2 348.450 2.101 20 30 EEEDLO CC#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCc4cncn4C3)cc2C1 ZINC001054270849 1247959099 /nfs/dbraw/zinc/95/90/99/1247959099.db2.gz CFTLYNHVZZFRJX-GOSISDBHSA-N 1 2 348.450 2.101 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3c(C)cc(C)[nH]c3=O)cc2C1 ZINC001054276844 1247982247 /nfs/dbraw/zinc/98/22/47/1247982247.db2.gz XKWJCVYPVJKPGP-UHFFFAOYSA-N 1 2 335.407 2.283 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3c(C)cc(C)[nH]c3=O)cc2C1 ZINC001054276844 1247982261 /nfs/dbraw/zinc/98/22/61/1247982261.db2.gz XKWJCVYPVJKPGP-UHFFFAOYSA-N 1 2 335.407 2.283 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCc4cccnc43)cc2C1 ZINC001054278705 1247989996 /nfs/dbraw/zinc/98/99/96/1247989996.db2.gz LAJBUORJZQWPGG-IBGZPJMESA-N 1 2 331.419 2.377 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCc4cccnc43)cc2C1 ZINC001054278705 1247990001 /nfs/dbraw/zinc/99/00/01/1247990001.db2.gz LAJBUORJZQWPGG-IBGZPJMESA-N 1 2 331.419 2.377 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3[nH]nc4ccccc43)cc2C1 ZINC001054291490 1248027256 /nfs/dbraw/zinc/02/72/56/1248027256.db2.gz RLUHVGVEIPKJOZ-UHFFFAOYSA-N 1 2 330.391 2.442 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3[nH]nc4ccccc43)cc2C1 ZINC001054291490 1248027262 /nfs/dbraw/zinc/02/72/62/1248027262.db2.gz RLUHVGVEIPKJOZ-UHFFFAOYSA-N 1 2 330.391 2.442 20 30 EEEDLO 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2.317 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H](OCC)C(=C)C)C1 ZINC001149804801 1316053329 /nfs/dbraw/zinc/05/33/29/1316053329.db2.gz XLEKXZGGOOCJMJ-JKSUJKDBSA-N 1 2 344.883 2.317 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCCOC2)C1 ZINC001150540724 1316292461 /nfs/dbraw/zinc/29/24/61/1316292461.db2.gz GDFPKYBOUPOYJK-JKSUJKDBSA-N 1 2 344.883 2.153 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCCOC2)C1 ZINC001150540724 1316292465 /nfs/dbraw/zinc/29/24/65/1316292465.db2.gz GDFPKYBOUPOYJK-JKSUJKDBSA-N 1 2 344.883 2.153 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccncc1Cl ZINC001153012446 1316759101 /nfs/dbraw/zinc/75/91/01/1316759101.db2.gz LJMNPTVFTOHNEK-CXAGYDPISA-N 1 2 339.867 2.389 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccncc1Cl ZINC001153012446 1316759102 /nfs/dbraw/zinc/75/91/02/1316759102.db2.gz LJMNPTVFTOHNEK-CXAGYDPISA-N 1 2 339.867 2.389 20 30 EEEDLO C=CCC[C@H](C(=O)NCC[NH2+]Cc1csnn1)c1ccccc1 ZINC001153817533 1316891066 /nfs/dbraw/zinc/89/10/66/1316891066.db2.gz QJTWCKSANZSBRM-INIZCTEOSA-N 1 2 330.457 2.494 20 30 EEEDLO C#CCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cn(CC)nn1 ZINC001154609684 1317231387 /nfs/dbraw/zinc/23/13/87/1317231387.db2.gz UCRYXQFXBLSDPY-MRXNPFEDSA-N 1 2 333.480 2.208 20 30 EEEDLO C#CCCCCCC(=O)NC[C@@H](C)[N@H+](CC)Cc1cn(CC)nn1 ZINC001154609684 1317231391 /nfs/dbraw/zinc/23/13/91/1317231391.db2.gz UCRYXQFXBLSDPY-MRXNPFEDSA-N 1 2 333.480 2.208 20 30 EEEDLO CC(C)(C)OC(=O)N1CCC2(C1)CCC(N1CC[NH2+]C[C@@H]1C#N)CC2 ZINC001254874617 1318216793 /nfs/dbraw/zinc/21/67/93/1318216793.db2.gz AISBJMCLXZKDLP-WUJZJPHMSA-N 1 2 348.491 2.354 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(C)cs1 ZINC001157214155 1318493117 /nfs/dbraw/zinc/49/31/17/1318493117.db2.gz YVAMABLHUMBAGH-KGLIPLIRSA-N 1 2 325.478 2.369 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(C)cs1 ZINC001157214155 1318493125 /nfs/dbraw/zinc/49/31/25/1318493125.db2.gz YVAMABLHUMBAGH-KGLIPLIRSA-N 1 2 325.478 2.369 20 30 EEEDLO Cc1nnc([C@H](C)[N@@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)C)o1 ZINC001157939880 1318939396 /nfs/dbraw/zinc/93/93/96/1318939396.db2.gz OGQBTQKWLWYJFA-GOEBONIOSA-N 1 2 332.448 2.411 20 30 EEEDLO Cc1nnc([C@H](C)[N@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)C)o1 ZINC001157939880 1318939398 /nfs/dbraw/zinc/93/93/98/1318939398.db2.gz OGQBTQKWLWYJFA-GOEBONIOSA-N 1 2 332.448 2.411 20 30 EEEDLO C=Cc1cccc(C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c1 ZINC001279066045 1319120884 /nfs/dbraw/zinc/12/08/84/1319120884.db2.gz BTVPDCXIXPOBBR-UHFFFAOYSA-N 1 2 346.434 2.498 20 30 EEEDLO C=CCOC(=O)N[C@@H]1CCCN(c2nc(NC3CC3)c(C)c[nH+]2)C1 ZINC001158906849 1319499262 /nfs/dbraw/zinc/49/92/62/1319499262.db2.gz IOCNWKMZKIURSN-CQSZACIVSA-N 1 2 331.420 2.240 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC=C(CCNC(=O)CC)CC2)c1 ZINC001159016698 1319560093 /nfs/dbraw/zinc/56/00/93/1319560093.db2.gz YVVSZQSSQAGXEO-UHFFFAOYSA-N 1 2 339.439 2.155 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC=C(CCNC(=O)CC)CC2)c1 ZINC001159016698 1319560099 /nfs/dbraw/zinc/56/00/99/1319560099.db2.gz YVVSZQSSQAGXEO-UHFFFAOYSA-N 1 2 339.439 2.155 20 30 EEEDLO Cc1ccc2[nH+]cc(CNS(=O)(=O)c3ccc(F)c(C#N)c3)n2c1 ZINC001259419605 1319563138 /nfs/dbraw/zinc/56/31/38/1319563138.db2.gz KDIHQSLKINMXNV-UHFFFAOYSA-N 1 2 344.371 2.132 20 30 EEEDLO C[C@H](C#N)C(=O)NCCC1=CC[N@H+](Cc2coc(C3CC3)n2)CC1 ZINC001159587677 1319903149 /nfs/dbraw/zinc/90/31/49/1319903149.db2.gz WMYHGUDOCVHHQH-CYBMUJFWSA-N 1 2 328.416 2.350 20 30 EEEDLO C[C@H](C#N)C(=O)NCCC1=CC[N@@H+](Cc2coc(C3CC3)n2)CC1 ZINC001159587677 1319903150 /nfs/dbraw/zinc/90/31/50/1319903150.db2.gz WMYHGUDOCVHHQH-CYBMUJFWSA-N 1 2 328.416 2.350 20 30 EEEDLO CCc1nnc(C[N@H+]2CC=C(CCNC(=O)C#CC(C)(C)C)CC2)o1 ZINC001160084904 1320067396 /nfs/dbraw/zinc/06/73/96/1320067396.db2.gz YBFVZADLTZQSFU-UHFFFAOYSA-N 1 2 344.459 2.320 20 30 EEEDLO CCc1nnc(C[N@@H+]2CC=C(CCNC(=O)C#CC(C)(C)C)CC2)o1 ZINC001160084904 1320067399 /nfs/dbraw/zinc/06/73/99/1320067399.db2.gz YBFVZADLTZQSFU-UHFFFAOYSA-N 1 2 344.459 2.320 20 30 EEEDLO C=C(C)CCC(=O)NCCC1=CC[N@H+]([C@H](C)c2nncn2C)CC1 ZINC001160264686 1320115647 /nfs/dbraw/zinc/11/56/47/1320115647.db2.gz XRKJXTMFYHLWMG-OAHLLOKOSA-N 1 2 331.464 2.371 20 30 EEEDLO C=C(C)CCC(=O)NCCC1=CC[N@@H+]([C@H](C)c2nncn2C)CC1 ZINC001160264686 1320115650 /nfs/dbraw/zinc/11/56/50/1320115650.db2.gz XRKJXTMFYHLWMG-OAHLLOKOSA-N 1 2 331.464 2.371 20 30 EEEDLO C=C1CC(C)(C(=O)NCCC2=CC[N@H+](Cc3nc(C)no3)CC2)C1 ZINC001161177774 1320410891 /nfs/dbraw/zinc/41/08/91/1320410891.db2.gz DTHQTXLXFGSAGK-UHFFFAOYSA-N 1 2 330.432 2.373 20 30 EEEDLO C=C1CC(C)(C(=O)NCCC2=CC[N@@H+](Cc3nc(C)no3)CC2)C1 ZINC001161177774 1320410896 /nfs/dbraw/zinc/41/08/96/1320410896.db2.gz DTHQTXLXFGSAGK-UHFFFAOYSA-N 1 2 330.432 2.373 20 30 EEEDLO N#CCc1ccnc(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c1 ZINC001165690260 1321566768 /nfs/dbraw/zinc/56/67/68/1321566768.db2.gz GPHYEYGGJYVEAH-KRWDZBQOSA-N 1 2 337.427 2.407 20 30 EEEDLO CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)C12CCC2 ZINC001203248394 1321852179 /nfs/dbraw/zinc/85/21/79/1321852179.db2.gz HPRPOWAHHNQZDF-IAGOWNOFSA-N 1 2 349.438 2.126 20 30 EEEDLO CC(C)N(C)C(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001204367608 1322130030 /nfs/dbraw/zinc/13/00/30/1322130030.db2.gz MTFGHIDFEJZGNA-IBGZPJMESA-N 1 2 340.427 2.146 20 30 EEEDLO CC(C)N(C)C(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001204367608 1322130037 /nfs/dbraw/zinc/13/00/37/1322130037.db2.gz MTFGHIDFEJZGNA-IBGZPJMESA-N 1 2 340.427 2.146 20 30 EEEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cn(C)cn2)CC1 ZINC001206242539 1323435948 /nfs/dbraw/zinc/43/59/48/1323435948.db2.gz UZJJSUCKDJMQFO-UHFFFAOYSA-N 1 2 326.400 2.344 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2csc(C3CC3)n2)C[C@H]1C ZINC001206607656 1323544215 /nfs/dbraw/zinc/54/42/15/1323544215.db2.gz URYMXIWLROOAMS-IUODEOHRSA-N 1 2 335.473 2.160 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2csc(C3CC3)n2)C[C@H]1C ZINC001206607656 1323544223 /nfs/dbraw/zinc/54/42/23/1323544223.db2.gz URYMXIWLROOAMS-IUODEOHRSA-N 1 2 335.473 2.160 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206647034 1323552966 /nfs/dbraw/zinc/55/29/66/1323552966.db2.gz PPXCAYCBBWMZQJ-CKEIUWERSA-N 1 2 329.831 2.288 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC001206647034 1323552971 /nfs/dbraw/zinc/55/29/71/1323552971.db2.gz PPXCAYCBBWMZQJ-CKEIUWERSA-N 1 2 329.831 2.288 20 30 EEEDLO N#Cc1cccc2c(C[N@H+]3CC[C@H]4C[C@]43C(=O)Nc3nnco3)c[nH]c21 ZINC001279746215 1323989235 /nfs/dbraw/zinc/98/92/35/1323989235.db2.gz QLUUPYXIMAMALI-SCLBCKFNSA-N 1 2 348.366 2.026 20 30 EEEDLO N#Cc1cccc2c(C[N@@H+]3CC[C@H]4C[C@]43C(=O)Nc3nnco3)c[nH]c21 ZINC001279746215 1323989236 /nfs/dbraw/zinc/98/92/36/1323989236.db2.gz QLUUPYXIMAMALI-SCLBCKFNSA-N 1 2 348.366 2.026 20 30 EEEDLO Cc1ccccc1C[N@@H+]1CCc2c([nH]nc2C(=O)N2CC(CC#N)C2)C1 ZINC001279988396 1324050450 /nfs/dbraw/zinc/05/04/50/1324050450.db2.gz LLBUOLZAVQQGAB-UHFFFAOYSA-N 1 2 349.438 2.262 20 30 EEEDLO Cc1ccccc1C[N@H+]1CCc2c([nH]nc2C(=O)N2CC(CC#N)C2)C1 ZINC001279988396 1324050462 /nfs/dbraw/zinc/05/04/62/1324050462.db2.gz LLBUOLZAVQQGAB-UHFFFAOYSA-N 1 2 349.438 2.262 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001207617575 1324050870 /nfs/dbraw/zinc/05/08/70/1324050870.db2.gz BVETXJCCFRUPPB-HIFRSBDPSA-N 1 2 348.447 2.009 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(COCC)CC2)C1 ZINC001207754577 1324128445 /nfs/dbraw/zinc/12/84/45/1324128445.db2.gz YLQXMHWHADHBMB-DGCLKSJQSA-N 1 2 345.281 2.148 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(COCC)CC2)C1 ZINC001207754577 1324128447 /nfs/dbraw/zinc/12/84/47/1324128447.db2.gz YLQXMHWHADHBMB-DGCLKSJQSA-N 1 2 345.281 2.148 20 30 EEEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC(=O)N(CC)C2CC2)CC1 ZINC001316602503 1324138865 /nfs/dbraw/zinc/13/88/65/1324138865.db2.gz AQXWLQUJCWGJQY-SFHVURJKSA-N 1 2 347.503 2.276 20 30 EEEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC(=O)N(CC)C2CC2)CC1 ZINC001316602503 1324138871 /nfs/dbraw/zinc/13/88/71/1324138871.db2.gz AQXWLQUJCWGJQY-SFHVURJKSA-N 1 2 347.503 2.276 20 30 EEEDLO C[C@@H](CC(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1)n1cc[nH+]c1 ZINC001294847077 1329169948 /nfs/dbraw/zinc/16/99/48/1329169948.db2.gz CJBFRMZUOZFFRM-ZDUSSCGKSA-N 1 2 334.383 2.412 20 30 EEEDLO C=CCCC1(C(=O)N2CCC[C@H]([NH2+]Cc3nc(COC)no3)C2)CC1 ZINC001209465860 1324939484 /nfs/dbraw/zinc/93/94/84/1324939484.db2.gz VNKHYTFEZBAQCN-AWEZNQCLSA-N 1 2 348.447 2.043 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2C)C1 ZINC001316940932 1332004369 /nfs/dbraw/zinc/00/43/69/1332004369.db2.gz NCOWJHIFEFQVCY-INIZCTEOSA-N 1 2 338.455 2.457 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C)C1 ZINC001316940932 1332004371 /nfs/dbraw/zinc/00/43/71/1332004371.db2.gz NCOWJHIFEFQVCY-INIZCTEOSA-N 1 2 338.455 2.457 20 30 EEEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc([C@@H]([NH3+])c2ccccc2)no1 ZINC001326485721 1334102633 /nfs/dbraw/zinc/10/26/33/1334102633.db2.gz IWHVAGJAKCLTKH-KRWDZBQOSA-N 1 2 349.394 2.492 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(C[C@@H]3CCc4ccccc43)n2CC)CC1 ZINC001340185551 1337134242 /nfs/dbraw/zinc/13/42/42/1337134242.db2.gz RLJBASODAVJSMW-SFHVURJKSA-N 1 2 349.482 2.326 20 30 EEEDLO C#CCCCC(=O)NCC1CC([NH2+]Cc2noc(C3CCC3)n2)C1 ZINC001100284545 1338239295 /nfs/dbraw/zinc/23/92/95/1338239295.db2.gz UXIFBCWVXBLXBL-UHFFFAOYSA-N 1 2 330.432 2.125 20 30 EEEDLO C#CC[C@H](CC)c1nnc(N2CC[NH+](CC#C)CC2)n1CC(=C)C ZINC001355926424 1338769593 /nfs/dbraw/zinc/76/95/93/1338769593.db2.gz IUTYGEQDISWMMZ-KRWDZBQOSA-N 1 2 325.460 2.126 20 30 EEEDLO CCn1c[nH+]cc1C=CC(=O)c1c(C)n2c(c1-c1nn[nH]n1)CCC2 ZINC001590964368 1349425280 /nfs/dbraw/zinc/42/52/80/1349425280.db2.gz WMRRSMDPVMFRSO-SREVYHEPSA-N 1 2 337.387 2.035 20 30 EEEDLO O=C1C=C([NH2+]Nc2ccc(-c3nn[nH]n3)c(Cl)c2)[C@H]2CCCCN12 ZINC001593377913 1349794552 /nfs/dbraw/zinc/79/45/52/1349794552.db2.gz MLCSKHUKYJJPCU-CYBMUJFWSA-N 1 2 345.794 2.073 20 30 EEEDLO CC(=[NH+]Nc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccc(N)nc1 ZINC001602907895 1350603582 /nfs/dbraw/zinc/60/35/82/1350603582.db2.gz BYNUSCJOKZZWPW-UHFFFAOYSA-N 1 2 328.767 2.333 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001680732917 1357911299 /nfs/dbraw/zinc/91/12/99/1357911299.db2.gz PRAMILKGTZDHKY-LSDHHAIUSA-N 1 2 332.448 2.018 20 30 EEEDLO Cc1cc(C)c(C(=O)NC[C@@H](NC(=O)[C@H](C)C#N)C(C)C)c(C)[nH+]1 ZINC001388930250 1387816246 /nfs/dbraw/zinc/81/62/46/1387816246.db2.gz GWAHTFMZSBYZDW-IUODEOHRSA-N 1 2 330.432 2.037 20 30 EEEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001110305096 1368142728 /nfs/dbraw/zinc/14/27/28/1368142728.db2.gz DSMIJVCPQKXHAI-KURKYZTESA-N 1 2 339.464 2.016 20 30 EEEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001110305096 1368142734 /nfs/dbraw/zinc/14/27/34/1368142734.db2.gz DSMIJVCPQKXHAI-KURKYZTESA-N 1 2 339.464 2.016 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CC2(CO1)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001110612271 1369208646 /nfs/dbraw/zinc/20/86/46/1369208646.db2.gz SZFXEJJCWQYTMC-MRXNPFEDSA-N 1 2 344.459 2.243 20 30 EEEDLO C[C@@]1(c2ccccc2)CC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853523453 1369345217 /nfs/dbraw/zinc/34/52/17/1369345217.db2.gz DTBGHIXZZKOUTO-KXBFYZLASA-N 1 2 325.412 2.286 20 30 EEEDLO C[C@@]1(c2ccccc2)CC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853523453 1369345222 /nfs/dbraw/zinc/34/52/22/1369345222.db2.gz DTBGHIXZZKOUTO-KXBFYZLASA-N 1 2 325.412 2.286 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cscn3)C[C@H]21)OCC ZINC001114357661 1369583253 /nfs/dbraw/zinc/58/32/53/1369583253.db2.gz GZASVIYMQUHNQJ-DLTWYDFYSA-N 1 2 335.473 2.061 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cscn3)C[C@H]21)OCC ZINC001114357661 1369583256 /nfs/dbraw/zinc/58/32/56/1369583256.db2.gz GZASVIYMQUHNQJ-DLTWYDFYSA-N 1 2 335.473 2.061 20 30 EEEDLO COc1ccccc1[C@@H]1CC[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794633500 1369590618 /nfs/dbraw/zinc/59/06/18/1369590618.db2.gz OSQSSUVZTJMMOJ-CYBMUJFWSA-N 1 2 343.456 2.473 20 30 EEEDLO COc1ccccc1[C@@H]1CC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794633500 1369590621 /nfs/dbraw/zinc/59/06/21/1369590621.db2.gz OSQSSUVZTJMMOJ-CYBMUJFWSA-N 1 2 343.456 2.473 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)co1 ZINC001095350998 1369670345 /nfs/dbraw/zinc/67/03/45/1369670345.db2.gz RNJLFXIMYRZGHB-RYRKJORJSA-N 1 2 336.395 2.390 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)co1 ZINC001095350998 1369670356 /nfs/dbraw/zinc/67/03/56/1369670356.db2.gz RNJLFXIMYRZGHB-RYRKJORJSA-N 1 2 336.395 2.390 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)nc1 ZINC001009255823 1370028817 /nfs/dbraw/zinc/02/88/17/1370028817.db2.gz WNEKKKUUUBFQRQ-LJQANCHMSA-N 1 2 344.418 2.329 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)nc1 ZINC001009255823 1370028821 /nfs/dbraw/zinc/02/88/21/1370028821.db2.gz WNEKKKUUUBFQRQ-LJQANCHMSA-N 1 2 344.418 2.329 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2cocn2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC001071388614 1370496110 /nfs/dbraw/zinc/49/61/10/1370496110.db2.gz JLNKGNCIJLUNFN-IUODEOHRSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2cocn2)C[N@H+]1Cc1cc(C#N)ccc1F ZINC001071388614 1370496115 /nfs/dbraw/zinc/49/61/15/1370496115.db2.gz JLNKGNCIJLUNFN-IUODEOHRSA-N 1 2 342.374 2.468 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](C)CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001099732462 1371007708 /nfs/dbraw/zinc/00/77/08/1371007708.db2.gz BOFUESFMOTUSPD-TZMCWYRMSA-N 1 2 340.431 2.170 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](C)CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001099732462 1371007712 /nfs/dbraw/zinc/00/77/12/1371007712.db2.gz BOFUESFMOTUSPD-TZMCWYRMSA-N 1 2 340.431 2.170 20 30 EEEDLO C[C@@H](CCCNc1cncc(C#N)n1)NC(=O)c1cccc2[nH+]ccn21 ZINC001115025231 1371488914 /nfs/dbraw/zinc/48/89/14/1371488914.db2.gz AXRUPSCWYCDRIT-ZDUSSCGKSA-N 1 2 349.398 2.007 20 30 EEEDLO C=CCOCC(=O)N1C[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C[C@H]1C ZINC001123212810 1372108838 /nfs/dbraw/zinc/10/88/38/1372108838.db2.gz HUMSOKPQEISEDA-HIFRSBDPSA-N 1 2 344.459 2.268 20 30 EEEDLO CCc1ccc(C#CC(=O)NC(C)(C)C[NH+]2CCN(CC)CC2)cc1 ZINC000837132633 1372769729 /nfs/dbraw/zinc/76/97/29/1372769729.db2.gz CEOQBJDOJYVTRE-UHFFFAOYSA-N 1 2 341.499 2.133 20 30 EEEDLO C=C(Cl)C[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001366717309 1374016864 /nfs/dbraw/zinc/01/68/64/1374016864.db2.gz ZSQKFFNBIOMCHT-QGZVFWFLSA-N 1 2 335.879 2.309 20 30 EEEDLO C=C(Cl)C[NH+]1CC[C@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001366717309 1374016870 /nfs/dbraw/zinc/01/68/70/1374016870.db2.gz ZSQKFFNBIOMCHT-QGZVFWFLSA-N 1 2 335.879 2.309 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)CN(C)Cc2ccccc2)C1 ZINC001366717309 1374016880 /nfs/dbraw/zinc/01/68/80/1374016880.db2.gz ZSQKFFNBIOMCHT-QGZVFWFLSA-N 1 2 335.879 2.309 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)CN(C)Cc2ccccc2)C1 ZINC001366717309 1374016884 /nfs/dbraw/zinc/01/68/84/1374016884.db2.gz ZSQKFFNBIOMCHT-QGZVFWFLSA-N 1 2 335.879 2.309 20 30 EEEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)c1cncs1)C1CC1 ZINC001372774303 1376199471 /nfs/dbraw/zinc/19/94/71/1376199471.db2.gz GOTSJEQNDGJETI-UHFFFAOYSA-N 1 2 326.425 2.409 20 30 EEEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)c1cncs1)C1CC1 ZINC001372774303 1376199474 /nfs/dbraw/zinc/19/94/74/1376199474.db2.gz GOTSJEQNDGJETI-UHFFFAOYSA-N 1 2 326.425 2.409 20 30 EEEDLO Cc1nc[nH]c1C(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001372906282 1376285053 /nfs/dbraw/zinc/28/50/53/1376285053.db2.gz AZUDUQOUZGDCBI-UHFFFAOYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1nc[nH]c1C(=O)NCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001372906282 1376285058 /nfs/dbraw/zinc/28/50/58/1376285058.db2.gz AZUDUQOUZGDCBI-UHFFFAOYSA-N 1 2 341.390 2.123 20 30 EEEDLO CCOCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001376131681 1378317277 /nfs/dbraw/zinc/31/72/77/1378317277.db2.gz NEYQFMUQLQPLDL-INIZCTEOSA-N 1 2 345.418 2.205 20 30 EEEDLO CCOCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001376131681 1378317284 /nfs/dbraw/zinc/31/72/84/1378317284.db2.gz NEYQFMUQLQPLDL-INIZCTEOSA-N 1 2 345.418 2.205 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)Cc2n[nH]c3ccccc23)C1 ZINC001378584545 1380084941 /nfs/dbraw/zinc/08/49/41/1380084941.db2.gz IHXAIJWDAGMPCM-LBPRGKRZSA-N 1 2 332.835 2.294 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CNC(=O)c2ccccc2)[C@H]1C ZINC001379644410 1380794181 /nfs/dbraw/zinc/79/41/81/1380794181.db2.gz AVNQXGUDDYLOKM-ZBFHGGJFSA-N 1 2 349.862 2.138 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)c2ccccc2)[C@H]1C ZINC001379644410 1380794183 /nfs/dbraw/zinc/79/41/83/1380794183.db2.gz AVNQXGUDDYLOKM-ZBFHGGJFSA-N 1 2 349.862 2.138 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC(=O)NCCC ZINC001380179519 1381095793 /nfs/dbraw/zinc/09/57/93/1381095793.db2.gz GERPZVYDMMMCIU-CABCVRRESA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC(=O)NCCC ZINC001380179519 1381095797 /nfs/dbraw/zinc/09/57/97/1381095797.db2.gz GERPZVYDMMMCIU-CABCVRRESA-N 1 2 341.883 2.111 20 30 EEEDLO CC(=O)CCCC(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1F ZINC001381489598 1381625740 /nfs/dbraw/zinc/62/57/40/1381625740.db2.gz GODGUAMHNOATQT-CYBMUJFWSA-N 1 2 333.407 2.393 20 30 EEEDLO CC(=O)CCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001381489598 1381625741 /nfs/dbraw/zinc/62/57/41/1381625741.db2.gz GODGUAMHNOATQT-CYBMUJFWSA-N 1 2 333.407 2.393 20 30 EEEDLO CO[C@H](C)CCC(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001391473689 1389382431 /nfs/dbraw/zinc/38/24/31/1389382431.db2.gz UXTNZDOFHXDQRX-CYBMUJFWSA-N 1 2 333.407 2.060 20 30 EEEDLO CC(C)(C)c1noc(C[N@@H+]2CCC[C@H](CNC(=O)C#CC3CC3)C2)n1 ZINC001752781352 1406396580 /nfs/dbraw/zinc/39/65/80/1406396580.db2.gz PULDPLVXABIZHJ-OAHLLOKOSA-N 1 2 344.459 2.109 20 30 EEEDLO CC(C)(C)c1noc(C[N@H+]2CCC[C@H](CNC(=O)C#CC3CC3)C2)n1 ZINC001752781352 1406396592 /nfs/dbraw/zinc/39/65/92/1406396592.db2.gz PULDPLVXABIZHJ-OAHLLOKOSA-N 1 2 344.459 2.109 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1noc2c1COCC2 ZINC001752816881 1406436593 /nfs/dbraw/zinc/43/65/93/1406436593.db2.gz GGXLNCGKZKMENW-CQSZACIVSA-N 1 2 333.432 2.184 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1noc2c1COCC2 ZINC001752816881 1406436597 /nfs/dbraw/zinc/43/65/97/1406436597.db2.gz GGXLNCGKZKMENW-CQSZACIVSA-N 1 2 333.432 2.184 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1nn(C)c2ccccc12 ZINC001394067663 1390602163 /nfs/dbraw/zinc/60/21/63/1390602163.db2.gz LRCVGNGLEXMLNB-CYBMUJFWSA-N 1 2 334.851 2.305 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1nn(C)c2ccccc12 ZINC001394067663 1390602164 /nfs/dbraw/zinc/60/21/64/1390602164.db2.gz LRCVGNGLEXMLNB-CYBMUJFWSA-N 1 2 334.851 2.305 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC001399710956 1395430550 /nfs/dbraw/zinc/43/05/50/1395430550.db2.gz KKRRJKBWJZJZMZ-CVEARBPZSA-N 1 2 337.851 2.350 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC001399710956 1395430553 /nfs/dbraw/zinc/43/05/53/1395430553.db2.gz KKRRJKBWJZJZMZ-CVEARBPZSA-N 1 2 337.851 2.350 20 30 EEEDLO CCn1cc(C(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)c(C)n1 ZINC001401399652 1397237440 /nfs/dbraw/zinc/23/74/40/1397237440.db2.gz VLUIBWFKLJLNGU-UHFFFAOYSA-N 1 2 339.443 2.287 20 30 EEEDLO CCn1cc(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)c(C)n1 ZINC001401399652 1397237450 /nfs/dbraw/zinc/23/74/50/1397237450.db2.gz VLUIBWFKLJLNGU-UHFFFAOYSA-N 1 2 339.443 2.287 20 30 EEEDLO CCCN(C(=O)[C@@H](C)C#N)C1CC[NH+](Cc2nccc(C)n2)CC1 ZINC001402227343 1397878190 /nfs/dbraw/zinc/87/81/90/1397878190.db2.gz HLBWKJAOEACVTE-AWEZNQCLSA-N 1 2 329.448 2.148 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@]1(CO)CCC[N@H+](Cc2cncc(F)c2)C1 ZINC001754857550 1406963924 /nfs/dbraw/zinc/96/39/24/1406963924.db2.gz JVSUUJWPNLELGO-HNAYVOBHSA-N 1 2 349.450 2.266 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@]1(CO)CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC001754857550 1406963935 /nfs/dbraw/zinc/96/39/35/1406963935.db2.gz JVSUUJWPNLELGO-HNAYVOBHSA-N 1 2 349.450 2.266 20 30 EEEDLO C[C@@H](C[N@H+](C)Cc1noc2c1CCCC2)NC(=O)c1cc(C#N)c[nH]1 ZINC001422795872 1400201486 /nfs/dbraw/zinc/20/14/86/1400201486.db2.gz KJLFBYUSXAHJPE-LBPRGKRZSA-N 1 2 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C=C[C@@](C)(CC)C(=O)NC/C=C/CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107495991 787416921 /nfs/dbraw/zinc/41/69/21/787416921.db2.gz PHMQXSVNURGOKY-UCFODXPJSA-N 1 2 343.475 2.151 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC/C=C/CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107495991 787416925 /nfs/dbraw/zinc/41/69/25/787416925.db2.gz PHMQXSVNURGOKY-UCFODXPJSA-N 1 2 343.475 2.151 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3cccnc3c2)[C@@H](O)C1 ZINC001090655767 787594669 /nfs/dbraw/zinc/59/46/69/787594669.db2.gz VQQIVJVWXWAHDK-RDJZCZTQSA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3cccnc3c2)[C@@H](O)C1 ZINC001090655767 787594671 /nfs/dbraw/zinc/59/46/71/787594671.db2.gz VQQIVJVWXWAHDK-RDJZCZTQSA-N 1 2 345.830 2.152 20 30 EEEDLO C#CCCCC(=O)NC[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001062217717 787607126 /nfs/dbraw/zinc/60/71/26/787607126.db2.gz YWEHCXNOTMMINE-IAGOWNOFSA-N 1 2 344.459 2.135 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001062256166 787729504 /nfs/dbraw/zinc/72/95/04/787729504.db2.gz XLNJIGLJIDTZMU-MRXNPFEDSA-N 1 2 332.448 2.196 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001062256166 787729513 /nfs/dbraw/zinc/72/95/13/787729513.db2.gz XLNJIGLJIDTZMU-MRXNPFEDSA-N 1 2 332.448 2.196 20 30 EEEDLO C=CCC1(C(=O)NC[C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001062325778 787895100 /nfs/dbraw/zinc/89/51/00/787895100.db2.gz XXPCFVFUEJZAMD-OAHLLOKOSA-N 1 2 344.459 2.196 20 30 EEEDLO CC(C)CC(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107703265 788099889 /nfs/dbraw/zinc/09/98/89/788099889.db2.gz XTCQLEYQEQOWRD-IBGZPJMESA-N 1 2 329.444 2.311 20 30 EEEDLO CC(C)CC(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107703265 788099896 /nfs/dbraw/zinc/09/98/96/788099896.db2.gz XTCQLEYQEQOWRD-IBGZPJMESA-N 1 2 329.444 2.311 20 30 EEEDLO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ncnc2c1ccn2CC=C ZINC001171067803 788305509 /nfs/dbraw/zinc/30/55/09/788305509.db2.gz PRGNQUARBDXEBQ-HNNXBMFYSA-N 1 2 343.431 2.256 20 30 EEEDLO CC1(C)CC(=O)C=C(NC(=O)[C@@H]2[C@@H](O)CC[N@@H+]2Cc2ccccc2)C1 ZINC001143674189 788736019 /nfs/dbraw/zinc/73/60/19/788736019.db2.gz BJHWUTDGTIJFDW-ROUUACIJSA-N 1 2 342.439 2.011 20 30 EEEDLO CC1(C)CC(=O)C=C(NC(=O)[C@@H]2[C@@H](O)CC[N@H+]2Cc2ccccc2)C1 ZINC001143674189 788736020 /nfs/dbraw/zinc/73/60/20/788736020.db2.gz BJHWUTDGTIJFDW-ROUUACIJSA-N 1 2 342.439 2.011 20 30 EEEDLO C/C=C(/C)C(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107853388 788786807 /nfs/dbraw/zinc/78/68/07/788786807.db2.gz OJLVAQZGSCQOQR-BXPWKZNBSA-N 1 2 327.428 2.232 20 30 EEEDLO C/C=C(/C)C(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107853388 788786813 /nfs/dbraw/zinc/78/68/13/788786813.db2.gz OJLVAQZGSCQOQR-BXPWKZNBSA-N 1 2 327.428 2.232 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)CNc2cc(C)[nH+]c(C3CC3)n2)cn1 ZINC001107858636 788843343 /nfs/dbraw/zinc/84/33/43/788843343.db2.gz QPQUGRZVBXDPFR-CYBMUJFWSA-N 1 2 335.411 2.269 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H](F)CC)CC2(CCOCC2)C1 ZINC001099586919 789088992 /nfs/dbraw/zinc/08/89/92/789088992.db2.gz LIAINFLMZCVRHS-KBPBESRZSA-N 1 2 332.847 2.474 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H](F)CC)CC2(CCOCC2)C1 ZINC001099586919 789089001 /nfs/dbraw/zinc/08/90/01/789089001.db2.gz LIAINFLMZCVRHS-KBPBESRZSA-N 1 2 332.847 2.474 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](C)[C@H](C)COC)CC2)C1 ZINC001105713825 789141486 /nfs/dbraw/zinc/14/14/86/789141486.db2.gz XGJVJFGYUQYXMC-HZPDHXFCSA-N 1 2 338.492 2.173 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3cc(C)co3)CC2)C1 ZINC001105719351 789240017 /nfs/dbraw/zinc/24/00/17/789240017.db2.gz DUEOYVAOQITFQC-UHFFFAOYSA-N 1 2 348.443 2.096 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(C)noc1C ZINC001032410214 789250290 /nfs/dbraw/zinc/25/02/90/789250290.db2.gz REVSVYYNEARPRN-CUSZFKRNSA-N 1 2 345.443 2.058 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(C)noc1C ZINC001032410214 789250300 /nfs/dbraw/zinc/25/03/00/789250300.db2.gz REVSVYYNEARPRN-CUSZFKRNSA-N 1 2 345.443 2.058 20 30 EEEDLO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]cc1C(F)(F)F ZINC001032439884 789760398 /nfs/dbraw/zinc/76/03/98/789760398.db2.gz WUSSOHRDWZZWHD-QWRGUYRKSA-N 1 2 328.338 2.293 20 30 EEEDLO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]cc1C(F)(F)F ZINC001032439884 789760403 /nfs/dbraw/zinc/76/04/03/789760403.db2.gz WUSSOHRDWZZWHD-QWRGUYRKSA-N 1 2 328.338 2.293 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079042356 789901834 /nfs/dbraw/zinc/90/18/34/789901834.db2.gz ZLJGEBIYITWMIP-CVEARBPZSA-N 1 2 346.475 2.394 20 30 EEEDLO CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)/C=C/C(=O)c1ccccc1 ZINC001144714265 790056103 /nfs/dbraw/zinc/05/61/03/790056103.db2.gz BNRVRXVKOOVMBW-QZEKMECESA-N 1 2 344.455 2.289 20 30 EEEDLO CCc1nnc([C@H](C)[N@@H+]2CCC3(CN(C(=O)C#CC(C)(C)C)C3)C2)[nH]1 ZINC001147523646 791868135 /nfs/dbraw/zinc/86/81/35/791868135.db2.gz YPDFOOMKYVPBGJ-AWEZNQCLSA-N 1 2 343.475 2.012 20 30 EEEDLO CCc1nnc([C@H](C)[N@H+]2CCC3(CN(C(=O)C#CC(C)(C)C)C3)C2)[nH]1 ZINC001147523646 791868141 /nfs/dbraw/zinc/86/81/41/791868141.db2.gz YPDFOOMKYVPBGJ-AWEZNQCLSA-N 1 2 343.475 2.012 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079093867 792105645 /nfs/dbraw/zinc/10/56/45/792105645.db2.gz VLNOIOIPGRHTEL-MRXNPFEDSA-N 1 2 346.475 2.394 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC2(C1)CC[N@H+](Cc1coc(C)n1)C2 ZINC001147992115 792111107 /nfs/dbraw/zinc/11/11/07/792111107.db2.gz HPRUVUKQQFYSMQ-GOSISDBHSA-N 1 2 347.459 2.246 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC2(C1)CC[N@@H+](Cc1coc(C)n1)C2 ZINC001147992115 792111112 /nfs/dbraw/zinc/11/11/12/792111112.db2.gz HPRUVUKQQFYSMQ-GOSISDBHSA-N 1 2 347.459 2.246 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](CNc1cccc(F)c1C#N)C1CC1 ZINC001109881956 806124667 /nfs/dbraw/zinc/12/46/67/806124667.db2.gz LWJYORDJZLFFAX-KRWDZBQOSA-N 1 2 341.390 2.278 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(C)n1CC)C2 ZINC001148147579 792188859 /nfs/dbraw/zinc/18/88/59/792188859.db2.gz WPYKROQKFIWFQQ-OAHLLOKOSA-N 1 2 345.491 2.243 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nnc(C)n1CC)C2 ZINC001148147579 792188866 /nfs/dbraw/zinc/18/88/66/792188866.db2.gz WPYKROQKFIWFQQ-OAHLLOKOSA-N 1 2 345.491 2.243 20 30 EEEDLO C=CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1cn(CC3CC3)nn1)C2 ZINC001148193735 792207799 /nfs/dbraw/zinc/20/77/99/792207799.db2.gz GNIPGLMVKLMTBU-UHFFFAOYSA-N 1 2 343.475 2.079 20 30 EEEDLO C=CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1cn(CC3CC3)nn1)C2 ZINC001148193735 792207803 /nfs/dbraw/zinc/20/78/03/792207803.db2.gz GNIPGLMVKLMTBU-UHFFFAOYSA-N 1 2 343.475 2.079 20 30 EEEDLO C#CC[C@@H](NC(=O)N[C@H](CC)C[NH+]1CCOCC1)c1ccccc1 ZINC000921666143 792904336 /nfs/dbraw/zinc/90/43/36/792904336.db2.gz PLIGSHAOSKMITG-QZTJIDSGSA-N 1 2 329.444 2.161 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H](C)[C@@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001089177361 793111255 /nfs/dbraw/zinc/11/12/55/793111255.db2.gz MANYLJYIJRVOLW-HIFRSBDPSA-N 1 2 346.479 2.109 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)[C@H](C)C#N)CCN1c1nc(C)[nH+]c2c1CCCC2 ZINC001091774727 793247365 /nfs/dbraw/zinc/24/73/65/793247365.db2.gz HKFHORJRUJECBG-OAUYIBNBSA-N 1 2 341.459 2.297 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](Nc2ncccc2C#N)C[C@H]1C ZINC001064789811 793764891 /nfs/dbraw/zinc/76/48/91/793764891.db2.gz YFTGNEHGFCBMGM-DOMZBBRYSA-N 1 2 338.415 2.019 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](Nc2ncccc2C#N)C[C@@H]1C ZINC001064789813 793764945 /nfs/dbraw/zinc/76/49/45/793764945.db2.gz YFTGNEHGFCBMGM-SWLSCSKDSA-N 1 2 338.415 2.019 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](CNc1[nH+]cnc2c1cnn2C)C1CC1 ZINC001109951133 806270774 /nfs/dbraw/zinc/27/07/74/806270774.db2.gz NHXAYUYTAKZBAG-DOMZBBRYSA-N 1 2 342.447 2.272 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](F)c1ccccc1)c1nccn12 ZINC001092399268 793899103 /nfs/dbraw/zinc/89/91/03/793899103.db2.gz BZANFKZHLXCZEP-CVEARBPZSA-N 1 2 340.402 2.352 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C1(c3ccccc3)CC1)c1nccn12 ZINC001092409728 793958977 /nfs/dbraw/zinc/95/89/77/793958977.db2.gz BDEDVIOZEKFJBC-KRWDZBQOSA-N 1 2 348.450 2.373 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001064985700 794063744 /nfs/dbraw/zinc/06/37/44/794063744.db2.gz MTJPRZCCSOJMEU-ZDUSSCGKSA-N 1 2 342.447 2.369 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](CNc1[nH+]cnc2c1cnn2C)C1CC1 ZINC001109970713 806299732 /nfs/dbraw/zinc/29/97/32/806299732.db2.gz HARXHMUSOXIMCB-KSSFIOAISA-N 1 2 342.447 2.272 20 30 EEEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@](C)(CC)CCC)CC2 ZINC001128058182 794114047 /nfs/dbraw/zinc/11/40/47/794114047.db2.gz BHKUHDIMZDIJQL-HNAYVOBHSA-N 1 2 345.491 2.038 20 30 EEEDLO CCn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)c1C ZINC001032695815 794131690 /nfs/dbraw/zinc/13/16/90/794131690.db2.gz HOASQJOBKADXFN-ROUUACIJSA-N 1 2 349.438 2.182 20 30 EEEDLO CCn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)c1C ZINC001032695815 794131694 /nfs/dbraw/zinc/13/16/94/794131694.db2.gz HOASQJOBKADXFN-ROUUACIJSA-N 1 2 349.438 2.182 20 30 EEEDLO Cc1nc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)c(C)o1 ZINC001032697893 794139411 /nfs/dbraw/zinc/13/94/11/794139411.db2.gz VMZDSMJWUPGHIH-IRXDYDNUSA-N 1 2 336.395 2.262 20 30 EEEDLO Cc1nc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)c(C)o1 ZINC001032697893 794139418 /nfs/dbraw/zinc/13/94/18/794139418.db2.gz VMZDSMJWUPGHIH-IRXDYDNUSA-N 1 2 336.395 2.262 20 30 EEEDLO N#Cc1cc(C(F)(F)F)cnc1NCC1([NH+]2CCCC2)COC1 ZINC001168442892 794275911 /nfs/dbraw/zinc/27/59/11/794275911.db2.gz UBBMBJHMIYOBRH-UHFFFAOYSA-N 1 2 326.322 2.249 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3nncs3)C[C@H]2C)cc1 ZINC001092877083 794408264 /nfs/dbraw/zinc/40/82/64/794408264.db2.gz VXJBPBXURPNPSJ-CZUORRHYSA-N 1 2 340.452 2.017 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3nncs3)C[C@H]2C)cc1 ZINC001092877083 794408270 /nfs/dbraw/zinc/40/82/70/794408270.db2.gz VXJBPBXURPNPSJ-CZUORRHYSA-N 1 2 340.452 2.017 20 30 EEEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)c1cocn1 ZINC001079487873 794847376 /nfs/dbraw/zinc/84/73/76/794847376.db2.gz XABDUQVYKTUMRY-CZUORRHYSA-N 1 2 343.814 2.430 20 30 EEEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)c1cocn1 ZINC001079487873 794847384 /nfs/dbraw/zinc/84/73/84/794847384.db2.gz XABDUQVYKTUMRY-CZUORRHYSA-N 1 2 343.814 2.430 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2C)C1 ZINC001079548074 794921630 /nfs/dbraw/zinc/92/16/30/794921630.db2.gz ZJRDBNKJYUYTLA-NOZJJQNGSA-N 1 2 326.238 2.282 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2C)C1 ZINC001079548074 794921633 /nfs/dbraw/zinc/92/16/33/794921633.db2.gz ZJRDBNKJYUYTLA-NOZJJQNGSA-N 1 2 326.238 2.282 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C(C)C)c1C1CC1 ZINC001032721343 795128045 /nfs/dbraw/zinc/12/80/45/795128045.db2.gz AMBZGSHHJVYILF-HOTGVXAUSA-N 1 2 326.444 2.263 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C(C)C)c1C1CC1 ZINC001032721343 795128051 /nfs/dbraw/zinc/12/80/51/795128051.db2.gz AMBZGSHHJVYILF-HOTGVXAUSA-N 1 2 326.444 2.263 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H](C)C[C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001089306713 795156084 /nfs/dbraw/zinc/15/60/84/795156084.db2.gz RGYQBJMUAFJPJZ-KGLIPLIRSA-N 1 2 340.431 2.313 20 30 EEEDLO Cc1nsc(N[C@@H](C)C[C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)c1C#N ZINC001089307028 795158151 /nfs/dbraw/zinc/15/81/51/795158151.db2.gz VDAOIDFFFGYILO-MNOVXSKESA-N 1 2 346.460 2.374 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(F)c2)nc1 ZINC001032737716 795329044 /nfs/dbraw/zinc/32/90/44/795329044.db2.gz BTJKTLKQCXWJSM-ROUUACIJSA-N 1 2 335.382 2.301 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(F)c2)nc1 ZINC001032737716 795329049 /nfs/dbraw/zinc/32/90/49/795329049.db2.gz BTJKTLKQCXWJSM-ROUUACIJSA-N 1 2 335.382 2.301 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001079923992 795372547 /nfs/dbraw/zinc/37/25/47/795372547.db2.gz GQWZKNXWHHJRLH-IUODEOHRSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001079923992 795372557 /nfs/dbraw/zinc/37/25/57/795372557.db2.gz GQWZKNXWHHJRLH-IUODEOHRSA-N 1 2 345.834 2.070 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3nc(CC)oc3C)CC2)C1 ZINC001093584500 795397210 /nfs/dbraw/zinc/39/72/10/795397210.db2.gz RSEZIURDTDXDPC-UHFFFAOYSA-N 1 2 333.432 2.037 20 30 EEEDLO C=CCCC(=O)N1CC(N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001080050056 795526055 /nfs/dbraw/zinc/52/60/55/795526055.db2.gz VYDKUVOXMUBEFK-UHFFFAOYSA-N 1 2 326.400 2.202 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC(N(CC)C(=O)CCc2c[nH+]cn2C)C1 ZINC001080247088 795755807 /nfs/dbraw/zinc/75/58/07/795755807.db2.gz TZTXOYRBOFTTEX-IBGZPJMESA-N 1 2 346.475 2.014 20 30 EEEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)c1ccccc1 ZINC001078033341 795770590 /nfs/dbraw/zinc/77/05/90/795770590.db2.gz DQROMASWUFMMEH-DUXKGJEZSA-N 1 2 348.446 2.003 20 30 EEEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)c1ccccc1 ZINC001078033341 795770593 /nfs/dbraw/zinc/77/05/93/795770593.db2.gz DQROMASWUFMMEH-DUXKGJEZSA-N 1 2 348.446 2.003 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCCO2)C1 ZINC001080318431 795881423 /nfs/dbraw/zinc/88/14/23/795881423.db2.gz RTOZBWCRNKOFOH-HONMWMINSA-N 1 2 338.839 2.064 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCCO2)C1 ZINC001080318431 795881430 /nfs/dbraw/zinc/88/14/30/795881430.db2.gz RTOZBWCRNKOFOH-HONMWMINSA-N 1 2 338.839 2.064 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC001080337912 795897342 /nfs/dbraw/zinc/89/73/42/795897342.db2.gz GDKCMVFRCTWQGM-AXAPSJFSSA-N 1 2 336.867 2.029 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC001080337912 795897354 /nfs/dbraw/zinc/89/73/54/795897354.db2.gz GDKCMVFRCTWQGM-AXAPSJFSSA-N 1 2 336.867 2.029 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@@]3(CC)C(C)C)nn2)C1 ZINC001094332059 796105571 /nfs/dbraw/zinc/10/55/71/796105571.db2.gz JSWPKYVUPYZBII-HKUYNNGSSA-N 1 2 345.491 2.399 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](CCCC)C(C)C)C2)nn1 ZINC001098790096 796327969 /nfs/dbraw/zinc/32/79/69/796327969.db2.gz OMEKZVUNAVIELD-QZTJIDSGSA-N 1 2 345.491 2.237 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001060977451 796338763 /nfs/dbraw/zinc/33/87/63/796338763.db2.gz GVSAFRLHDNKNNT-RDTXWAMCSA-N 1 2 346.479 2.109 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001110164070 796782628 /nfs/dbraw/zinc/78/26/28/796782628.db2.gz ABSMOBGWAGHWEA-ZDUSSCGKSA-N 1 2 344.459 2.316 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CCC(Nc2ccc(C#N)cn2)CC1 ZINC001060599845 796809891 /nfs/dbraw/zinc/80/98/91/796809891.db2.gz XFXZQXUWVQCTNG-UHFFFAOYSA-N 1 2 338.415 2.067 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C(C)(C)C)C1 ZINC000993622436 796834350 /nfs/dbraw/zinc/83/43/50/796834350.db2.gz BSGOMBKJKVYHCE-ZIAGYGMSSA-N 1 2 346.475 2.089 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnc(Cl)n2C)[C@H]1C ZINC000993592355 796852793 /nfs/dbraw/zinc/85/27/93/796852793.db2.gz QFNKQQQWBSFZMO-GHMZBOCLSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnc(Cl)n2C)[C@H]1C ZINC000993592355 796852795 /nfs/dbraw/zinc/85/27/95/796852795.db2.gz QFNKQQQWBSFZMO-GHMZBOCLSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(=O)cc2OC)[C@@H]1C ZINC000993856810 797092599 /nfs/dbraw/zinc/09/25/99/797092599.db2.gz OVSFSJUGFNZAKS-WCQYABFASA-N 1 2 339.823 2.131 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(=O)cc2OC)[C@@H]1C ZINC000993856810 797092600 /nfs/dbraw/zinc/09/26/00/797092600.db2.gz OVSFSJUGFNZAKS-WCQYABFASA-N 1 2 339.823 2.131 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001082041791 797113810 /nfs/dbraw/zinc/11/38/10/797113810.db2.gz MBSUFPWXTZYCQS-HNNXBMFYSA-N 1 2 346.475 2.442 20 30 EEEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC1(C)C ZINC001082043670 797116131 /nfs/dbraw/zinc/11/61/31/797116131.db2.gz LGGPKRLPCKBRKK-IPMKNSEASA-N 1 2 340.467 2.290 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC1(C)C ZINC001082043670 797116135 /nfs/dbraw/zinc/11/61/35/797116135.db2.gz LGGPKRLPCKBRKK-IPMKNSEASA-N 1 2 340.467 2.290 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](N(C)c2[nH+]cnc3c2cnn3C)C1 ZINC001095139760 797388528 /nfs/dbraw/zinc/38/85/28/797388528.db2.gz XYAZXAOSWBTJFU-CYBMUJFWSA-N 1 2 342.447 2.003 20 30 EEEDLO C=C1CCC(C(=O)N2CCCC[C@H]2CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001082276178 797395723 /nfs/dbraw/zinc/39/57/23/797395723.db2.gz BSKROCOPEOFGHF-INIZCTEOSA-N 1 2 344.459 2.196 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C(C)(C)C ZINC001082339120 797461364 /nfs/dbraw/zinc/46/13/64/797461364.db2.gz WKKFARAIQVJSCW-HZPDHXFCSA-N 1 2 333.407 2.059 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C(C)(C)C ZINC001082339120 797461366 /nfs/dbraw/zinc/46/13/66/797461366.db2.gz WKKFARAIQVJSCW-HZPDHXFCSA-N 1 2 333.407 2.059 20 30 EEEDLO COC(=O)CCCC[C@H](C)[NH2+][C@H](Cc1ccc(C#N)cc1)C(=O)OC ZINC001173448404 797470808 /nfs/dbraw/zinc/47/08/08/797470808.db2.gz LENUNZCVBYRCRD-WMLDXEAASA-N 1 2 346.427 2.354 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2sc(C(C)(C)C)nc2C)[C@H](OC)C1 ZINC001082397155 797495682 /nfs/dbraw/zinc/49/56/82/797495682.db2.gz JVENRYJUFFDKPX-ZIAGYGMSSA-N 1 2 349.500 2.201 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2sc(C(C)(C)C)nc2C)[C@H](OC)C1 ZINC001082397155 797495684 /nfs/dbraw/zinc/49/56/84/797495684.db2.gz JVENRYJUFFDKPX-ZIAGYGMSSA-N 1 2 349.500 2.201 20 30 EEEDLO Cc1nn(C)cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001095237727 797572385 /nfs/dbraw/zinc/57/23/85/797572385.db2.gz NVLPDCTYZOJUSW-HOJAQTOUSA-N 1 2 348.450 2.115 20 30 EEEDLO Cc1nn(C)cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001095237727 797572388 /nfs/dbraw/zinc/57/23/88/797572388.db2.gz NVLPDCTYZOJUSW-HOJAQTOUSA-N 1 2 348.450 2.115 20 30 EEEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC001082525023 797577134 /nfs/dbraw/zinc/57/71/34/797577134.db2.gz VRZJBVVIHJCLLI-HONMWMINSA-N 1 2 343.324 2.395 20 30 EEEDLO C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC001082525023 797577140 /nfs/dbraw/zinc/57/71/40/797577140.db2.gz VRZJBVVIHJCLLI-HONMWMINSA-N 1 2 343.324 2.395 20 30 EEEDLO O=C(C1CCCC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001082975032 797780587 /nfs/dbraw/zinc/78/05/87/797780587.db2.gz VGIARNZCENJNDP-VQTJNVASSA-N 1 2 338.451 2.140 20 30 EEEDLO O=C(C1CCCC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001082975032 797780594 /nfs/dbraw/zinc/78/05/94/797780594.db2.gz VGIARNZCENJNDP-VQTJNVASSA-N 1 2 338.451 2.140 20 30 EEEDLO CC(C)CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001082983720 797783693 /nfs/dbraw/zinc/78/36/93/797783693.db2.gz VJPKNMPZGJMRGF-RBUKOAKNSA-N 1 2 344.430 2.135 20 30 EEEDLO CC(C)CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]21 ZINC001082983720 797783694 /nfs/dbraw/zinc/78/36/94/797783694.db2.gz VJPKNMPZGJMRGF-RBUKOAKNSA-N 1 2 344.430 2.135 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCc2ccc(OCC)cc2)C1 ZINC001108042635 797861805 /nfs/dbraw/zinc/86/18/05/797861805.db2.gz SZKRHFXLRBFBJD-FQEVSTJZSA-N 1 2 346.471 2.411 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCc2ccc(OCC)cc2)C1 ZINC001108042635 797861810 /nfs/dbraw/zinc/86/18/10/797861810.db2.gz SZKRHFXLRBFBJD-FQEVSTJZSA-N 1 2 346.471 2.411 20 30 EEEDLO CSCC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084172541 798023381 /nfs/dbraw/zinc/02/33/81/798023381.db2.gz RKEWFSVCZKYHIW-CZUORRHYSA-N 1 2 333.432 2.093 20 30 EEEDLO CSCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084172541 798023385 /nfs/dbraw/zinc/02/33/85/798023385.db2.gz RKEWFSVCZKYHIW-CZUORRHYSA-N 1 2 333.432 2.093 20 30 EEEDLO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)n1C ZINC001038067867 798165258 /nfs/dbraw/zinc/16/52/58/798165258.db2.gz XQPKKQXBTRMOKA-ZDUSSCGKSA-N 1 2 328.441 2.271 20 30 EEEDLO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)n1C ZINC001038067867 798165262 /nfs/dbraw/zinc/16/52/62/798165262.db2.gz XQPKKQXBTRMOKA-ZDUSSCGKSA-N 1 2 328.441 2.271 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn4c(n3)CCCC4)[C@@H]2C1 ZINC001084384945 798180803 /nfs/dbraw/zinc/18/08/03/798180803.db2.gz WBTWBJDXHGDNFC-UKRRQHHQSA-N 1 2 334.851 2.118 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn4c(n3)CCCC4)[C@@H]2C1 ZINC001084384945 798180805 /nfs/dbraw/zinc/18/08/05/798180805.db2.gz WBTWBJDXHGDNFC-UKRRQHHQSA-N 1 2 334.851 2.118 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001061098981 798210022 /nfs/dbraw/zinc/21/00/22/798210022.db2.gz FIYVYNXHPPHBCU-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn4ccccc4n3)[C@@H]2C1 ZINC001084811767 798472045 /nfs/dbraw/zinc/47/20/45/798472045.db2.gz YQDWBHCWIVZYGS-UKRRQHHQSA-N 1 2 330.819 2.233 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cn4ccccc4n3)[C@@H]2C1 ZINC001084811767 798472048 /nfs/dbraw/zinc/47/20/48/798472048.db2.gz YQDWBHCWIVZYGS-UKRRQHHQSA-N 1 2 330.819 2.233 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](Cc3cnc(Cl)s3)[C@H]2C1 ZINC001084906152 798544915 /nfs/dbraw/zinc/54/49/15/798544915.db2.gz DMYHZBLWEBPUBW-WZRBSPASSA-N 1 2 338.864 2.379 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnc(Cl)s3)[C@H]2C1 ZINC001084906152 798544918 /nfs/dbraw/zinc/54/49/18/798544918.db2.gz DMYHZBLWEBPUBW-WZRBSPASSA-N 1 2 338.864 2.379 20 30 EEEDLO C[C@@H](C#N)C(=O)NCc1cnn2c1C[N@@H+]([C@@H]1CCc3ccccc31)CC2 ZINC001128264056 798570530 /nfs/dbraw/zinc/57/05/30/798570530.db2.gz IVWORFOBIHHWMA-KBXCAEBGSA-N 1 2 349.438 2.162 20 30 EEEDLO C[C@@H](C#N)C(=O)NCc1cnn2c1C[N@H+]([C@@H]1CCc3ccccc31)CC2 ZINC001128264056 798570534 /nfs/dbraw/zinc/57/05/34/798570534.db2.gz IVWORFOBIHHWMA-KBXCAEBGSA-N 1 2 349.438 2.162 20 30 EEEDLO C[C@H](C#N)C(=O)NCc1cnn2c1C[N@@H+]([C@@H]1CCc3ccccc31)CC2 ZINC001128264070 798570565 /nfs/dbraw/zinc/57/05/65/798570565.db2.gz 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/nfs/dbraw/zinc/79/20/76/1091792076.db2.gz BKFLYMOMCONSML-LBPRGKRZSA-N 1 2 337.851 2.469 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cc(=O)[nH]c2c1CCCC2 ZINC001445869249 1091792080 /nfs/dbraw/zinc/79/20/80/1091792080.db2.gz BKFLYMOMCONSML-LBPRGKRZSA-N 1 2 337.851 2.469 20 30 EEEDLO N#Cc1ccc(O[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)nc1 ZINC001450464959 1094741624 /nfs/dbraw/zinc/74/16/24/1094741624.db2.gz LBYULHYBMKOQPX-AWEZNQCLSA-N 1 2 333.351 2.123 20 30 EEEDLO CCC[N@H+](CCNC(=O)c1cc(C#N)c[nH]1)[C@H](C)c1nnc(CC)o1 ZINC001442920972 1097330975 /nfs/dbraw/zinc/33/09/75/1097330975.db2.gz UTVLJIRNZFUCJL-GFCCVEGCSA-N 1 2 344.419 2.035 20 30 EEEDLO CCC[N@@H+](CCNC(=O)c1cc(C#N)c[nH]1)[C@H](C)c1nnc(CC)o1 ZINC001442920972 1097330979 /nfs/dbraw/zinc/33/09/79/1097330979.db2.gz UTVLJIRNZFUCJL-GFCCVEGCSA-N 1 2 344.419 2.035 20 30 EEEDLO CO[C@@H](C(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1)C1CC1 ZINC001442993147 1097412111 /nfs/dbraw/zinc/41/21/11/1097412111.db2.gz FJZURZGCLRAIKL-GOSISDBHSA-N 1 2 327.428 2.064 20 30 EEEDLO CO[C@@H](C(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1)C1CC1 ZINC001442993147 1097412115 /nfs/dbraw/zinc/41/21/15/1097412115.db2.gz FJZURZGCLRAIKL-GOSISDBHSA-N 1 2 327.428 2.064 20 30 EEEDLO CCc1nnc(N(C)C[C@H](C)C#N)n1CCc1cn2ccccc2[nH+]1 ZINC001498624934 1107832171 /nfs/dbraw/zinc/83/21/71/1107832171.db2.gz UODKBQRHAZOBAM-CQSZACIVSA-N 1 2 337.431 2.327 20 30 EEEDLO N#C[C@@H](CCc1ccccc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001463571759 1110376804 /nfs/dbraw/zinc/37/68/04/1110376804.db2.gz YQJOXGZEZMLQER-RTBURBONSA-N 1 2 341.455 2.082 20 30 EEEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccn1 ZINC001463586969 1110376923 /nfs/dbraw/zinc/37/69/23/1110376923.db2.gz DPKFRGOWJXFXJY-INIZCTEOSA-N 1 2 334.423 2.401 20 30 EEEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1CC(=C)C ZINC001524367214 1120078670 /nfs/dbraw/zinc/07/86/70/1120078670.db2.gz BVUKAMLDUQOION-HZPDHXFCSA-N 1 2 331.464 2.094 20 30 EEEDLO C#C[C@@H](C)N(C)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1CC(=C)C ZINC001524367214 1120078677 /nfs/dbraw/zinc/07/86/77/1120078677.db2.gz BVUKAMLDUQOION-HZPDHXFCSA-N 1 2 331.464 2.094 20 30 EEEDLO C[C@H](CNC(=O)c1ccc(OC2CCCC2)nc1)[NH+]1CCOCC1 ZINC000329286042 539770311 /nfs/dbraw/zinc/77/03/11/539770311.db2.gz GRCVHRBZQPBXHT-CQSZACIVSA-N 1 2 333.432 2.428 20 30 EEEDLO C[C@@H]1OCC[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000329967908 539786282 /nfs/dbraw/zinc/78/62/82/539786282.db2.gz WKCUAYBWDRJYJG-ABHRYQDASA-N 1 2 341.452 2.342 20 30 EEEDLO C[C@@H]1OCC[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000329967908 539786288 /nfs/dbraw/zinc/78/62/88/539786288.db2.gz WKCUAYBWDRJYJG-ABHRYQDASA-N 1 2 341.452 2.342 20 30 EEEDLO Cn1cccc1[C@@H]1COCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000411552509 238390669 /nfs/dbraw/zinc/39/06/69/238390669.db2.gz NSQYYNQQWAKKHF-SFHVURJKSA-N 1 2 338.411 2.299 20 30 EEEDLO Cn1cccc1[C@@H]1COCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000411552509 238390672 /nfs/dbraw/zinc/39/06/72/238390672.db2.gz NSQYYNQQWAKKHF-SFHVURJKSA-N 1 2 338.411 2.299 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000264054435 201210394 /nfs/dbraw/zinc/21/03/94/201210394.db2.gz JDIRGJRLJICTPW-ZDUSSCGKSA-N 1 2 344.381 2.466 20 30 EEEDLO C[C@H](C#N)S(=O)(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000416377080 239210258 /nfs/dbraw/zinc/21/02/58/239210258.db2.gz WEPIBYXIOHTDSO-OAHLLOKOSA-N 1 2 343.452 2.199 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000447874319 242330497 /nfs/dbraw/zinc/33/04/97/242330497.db2.gz WKACXDWGVMIUIO-QMTHXVAHSA-N 1 2 333.457 2.138 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000447874319 242330501 /nfs/dbraw/zinc/33/05/01/242330501.db2.gz WKACXDWGVMIUIO-QMTHXVAHSA-N 1 2 333.457 2.138 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3ccc(F)cc3F)CC2)nc1 ZINC000071821766 203120074 /nfs/dbraw/zinc/12/00/74/203120074.db2.gz UPATZHKQJACWQO-KRWDZBQOSA-N 1 2 344.365 2.087 20 30 EEEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c(C#N)c1C ZINC000245394811 205128151 /nfs/dbraw/zinc/12/81/51/205128151.db2.gz GQGYKKJPCGEPAW-OCCSQVGLSA-N 1 2 346.431 2.073 20 30 EEEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CCC(N)=O)C2)c(C#N)c1C ZINC000245394811 205128154 /nfs/dbraw/zinc/12/81/54/205128154.db2.gz GQGYKKJPCGEPAW-OCCSQVGLSA-N 1 2 346.431 2.073 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000157799755 205240729 /nfs/dbraw/zinc/24/07/29/205240729.db2.gz XVZNYHYZSPVGMD-MOPGFXCFSA-N 1 2 346.471 2.236 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000157799755 205240732 /nfs/dbraw/zinc/24/07/32/205240732.db2.gz XVZNYHYZSPVGMD-MOPGFXCFSA-N 1 2 346.471 2.236 20 30 EEEDLO C#CCSCCNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000158473078 205325816 /nfs/dbraw/zinc/32/58/16/205325816.db2.gz BJFSLMXELCMXND-UHFFFAOYSA-N 1 2 333.457 2.007 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(C#N)c(F)c2)n1 ZINC000491669152 246103817 /nfs/dbraw/zinc/10/38/17/246103817.db2.gz XCUKHGWEOOLTSD-UHFFFAOYSA-N 1 2 326.375 2.176 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(C#N)c(F)c2)n1 ZINC000491669152 246103823 /nfs/dbraw/zinc/10/38/23/246103823.db2.gz XCUKHGWEOOLTSD-UHFFFAOYSA-N 1 2 326.375 2.176 20 30 EEEDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1nc(C(F)(F)F)ccc1C#N ZINC000265181912 247276669 /nfs/dbraw/zinc/27/66/69/247276669.db2.gz JFIZNSAEOATCTA-LLVKDONJSA-N 1 2 327.354 2.020 20 30 EEEDLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1C ZINC000249147658 206350637 /nfs/dbraw/zinc/35/06/37/206350637.db2.gz XCUVWUXOJCDWOW-VHRBIJSZSA-N 1 2 347.415 2.226 20 30 EEEDLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1C ZINC000249147658 206350642 /nfs/dbraw/zinc/35/06/42/206350642.db2.gz XCUVWUXOJCDWOW-VHRBIJSZSA-N 1 2 347.415 2.226 20 30 EEEDLO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361378 218136688 /nfs/dbraw/zinc/13/66/88/218136688.db2.gz YUMHTRISNKSRMD-INIZCTEOSA-N 1 2 349.431 2.391 20 30 EEEDLO C=CC[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361378 218136689 /nfs/dbraw/zinc/13/66/89/218136689.db2.gz YUMHTRISNKSRMD-INIZCTEOSA-N 1 2 349.431 2.391 20 30 EEEDLO C[C@@H](N1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000268611677 252065959 /nfs/dbraw/zinc/06/59/59/252065959.db2.gz KWTGDQLJWWJIHF-DOMZBBRYSA-N 1 2 327.350 2.160 20 30 EEEDLO Cc1ccc2ncc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)n2c1 ZINC000271041035 256202090 /nfs/dbraw/zinc/20/20/90/256202090.db2.gz MXAXSPPXMNPIHS-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO Cc1ccc2[nH+]cc(CN3CCN(c4cc(C#N)ccn4)CC3)n2c1 ZINC000271041035 256202091 /nfs/dbraw/zinc/20/20/91/256202091.db2.gz MXAXSPPXMNPIHS-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO CCN(CCNc1nc(C)ccc1C#N)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001106967789 781994912 /nfs/dbraw/zinc/99/49/12/781994912.db2.gz ZMJFMKFQGPPEBJ-CYBMUJFWSA-N 1 2 340.431 2.124 20 30 EEEDLO CCN(CCNc1nc(C)ccc1C#N)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001106967789 781994918 /nfs/dbraw/zinc/99/49/18/781994918.db2.gz ZMJFMKFQGPPEBJ-CYBMUJFWSA-N 1 2 340.431 2.124 20 30 EEEDLO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115596384 152033232 /nfs/dbraw/zinc/03/32/32/152033232.db2.gz UBJOLSZODJSZFG-SGTLLEGYSA-N 1 2 336.395 2.394 20 30 EEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCN(C)CC3)sc2C1 ZINC000126529776 292312649 /nfs/dbraw/zinc/31/26/49/292312649.db2.gz REVPDSJTJNMFCO-CYBMUJFWSA-N 1 2 346.500 2.321 20 30 EEEDLO COc1ccc([C@H](NC(=O)c2ccnc(C#N)c2)c2[nH+]ccn2C)cc1 ZINC000192472216 160170797 /nfs/dbraw/zinc/17/07/97/160170797.db2.gz LYPYMFRHNYFGLV-KRWDZBQOSA-N 1 2 347.378 2.215 20 30 EEEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000343143931 161107916 /nfs/dbraw/zinc/10/79/16/161107916.db2.gz RVMBZMCCWIQKED-YOEHRIQHSA-N 1 2 326.400 2.363 20 30 EEEDLO Cn1c[nH+]cc1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000355273409 163129567 /nfs/dbraw/zinc/12/95/67/163129567.db2.gz WJCOOIOMFGLIAN-UHFFFAOYSA-N 1 2 336.351 2.394 20 30 EEEDLO Cc1cc(C(=O)NCCCn2cc[nH+]c2)nn1-c1cccc(C#N)c1 ZINC000356208990 163366755 /nfs/dbraw/zinc/36/67/55/163366755.db2.gz FFHDWCLIQNWZFV-UHFFFAOYSA-N 1 2 334.383 2.069 20 30 EEEDLO Cc1oc(NC(=O)C[NH+]2CCC(n3cccn3)CC2)c(C#N)c1C ZINC000369119286 166194133 /nfs/dbraw/zinc/19/41/33/166194133.db2.gz KOTTYHQYLIIEQI-UHFFFAOYSA-N 1 2 327.388 2.240 20 30 EEEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000376380581 167314172 /nfs/dbraw/zinc/31/41/72/167314172.db2.gz IKIQJPDWGNFRGF-UHFFFAOYSA-N 1 2 326.360 2.218 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Cl)cc1C#N ZINC000187112755 270016437 /nfs/dbraw/zinc/01/64/37/270016437.db2.gz HMVHOMZFXBEOIY-UHFFFAOYSA-N 1 2 332.835 2.260 20 30 EEEDLO CN1CC[N@H+](Cc2cc(C#N)cs2)C[C@H]1c1nc(C2CC2)no1 ZINC000328939845 266590462 /nfs/dbraw/zinc/59/04/62/266590462.db2.gz KOIJKZVDOOBIGH-AWEZNQCLSA-N 1 2 329.429 2.369 20 30 EEEDLO CN1CC[N@@H+](Cc2cc(C#N)cs2)C[C@H]1c1nc(C2CC2)no1 ZINC000328939845 266590466 /nfs/dbraw/zinc/59/04/66/266590466.db2.gz KOIJKZVDOOBIGH-AWEZNQCLSA-N 1 2 329.429 2.369 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000290570323 267216773 /nfs/dbraw/zinc/21/67/73/267216773.db2.gz TVDDUOHQVBEXBC-MJVIPROJSA-N 1 2 342.365 2.174 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000290570323 267216777 /nfs/dbraw/zinc/21/67/77/267216777.db2.gz TVDDUOHQVBEXBC-MJVIPROJSA-N 1 2 342.365 2.174 20 30 EEEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCN(C4CC4)C3=O)CC2)c(Cl)c1 ZINC000328601805 268120075 /nfs/dbraw/zinc/12/00/75/268120075.db2.gz GDPMQVIEGYGBRJ-QGZVFWFLSA-N 1 2 344.846 2.097 20 30 EEEDLO C#CCN(CC#CC)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000490687589 275380877 /nfs/dbraw/zinc/38/08/77/275380877.db2.gz CSXGINWLVGWYNI-UHFFFAOYSA-N 1 2 348.406 2.011 20 30 EEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000538280253 318034010 /nfs/dbraw/zinc/03/40/10/318034010.db2.gz QZZYNRRBULXTPO-UHFFFAOYSA-N 1 2 338.820 2.167 20 30 EEEDLO CN1CC[N@H+](C)C[C@@H]1c1noc(CSCc2ccc(C#N)cc2)n1 ZINC000546503686 318251338 /nfs/dbraw/zinc/25/13/38/318251338.db2.gz PHTYXKWDHMZHPK-OAHLLOKOSA-N 1 2 343.456 2.293 20 30 EEEDLO CN1CC[N@@H+](C)C[C@@H]1c1noc(CSCc2ccc(C#N)cc2)n1 ZINC000546503686 318251341 /nfs/dbraw/zinc/25/13/41/318251341.db2.gz PHTYXKWDHMZHPK-OAHLLOKOSA-N 1 2 343.456 2.293 20 30 EEEDLO Cc1ccc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)c(C)c1 ZINC000563898894 319054180 /nfs/dbraw/zinc/05/41/80/319054180.db2.gz NNHZEBGVHDCFCK-UHFFFAOYSA-N 1 2 337.423 2.217 20 30 EEEDLO N#Cc1ccc(-c2nnc(N3CCn4cc[nH+]c4C3)n2C2CC2)cc1 ZINC000566387716 319281234 /nfs/dbraw/zinc/28/12/34/319281234.db2.gz XKMBLKGBLILQBJ-UHFFFAOYSA-N 1 2 331.383 2.368 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1N(C[C@@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000296016303 465051542 /nfs/dbraw/zinc/05/15/42/465051542.db2.gz UHTQOCTWDPZPMY-WBVHZDCISA-N 1 2 340.427 2.115 20 30 EEEDLO Cn1ccnc1[C@@H]1[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000296016303 465051548 /nfs/dbraw/zinc/05/15/48/465051548.db2.gz UHTQOCTWDPZPMY-WBVHZDCISA-N 1 2 340.427 2.115 20 30 EEEDLO Cn1ccnc1[C@@H]1[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000296016303 465051552 /nfs/dbraw/zinc/05/15/52/465051552.db2.gz UHTQOCTWDPZPMY-WBVHZDCISA-N 1 2 340.427 2.115 20 30 EEEDLO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000296056867 465068143 /nfs/dbraw/zinc/06/81/43/465068143.db2.gz VOUWELONLZNUMX-INIZCTEOSA-N 1 2 343.431 2.231 20 30 EEEDLO CC1(C)NC(=O)CC[C@@H]1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000328760182 465121811 /nfs/dbraw/zinc/12/18/11/465121811.db2.gz XGIGPRDDIXACPC-STQMWFEESA-N 1 2 331.420 2.061 20 30 EEEDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)NCc2cccc(C#N)c2)o1 ZINC000347616365 465124811 /nfs/dbraw/zinc/12/48/11/465124811.db2.gz MTHWXZVDVFFDJX-QGZVFWFLSA-N 1 2 341.411 2.307 20 30 EEEDLO Cn1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)nn1 ZINC000328881836 465156414 /nfs/dbraw/zinc/15/64/14/465156414.db2.gz MMOZQTLOACIVCJ-NSHDSACASA-N 1 2 334.811 2.364 20 30 EEEDLO Cn1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)nn1 ZINC000328881836 465156418 /nfs/dbraw/zinc/15/64/18/465156418.db2.gz MMOZQTLOACIVCJ-NSHDSACASA-N 1 2 334.811 2.364 20 30 EEEDLO C=CCN1CC[C@@H](N(C)C(=O)c2cc(C)ccc2-n2cc[nH+]c2)C1=O ZINC000337094333 465189140 /nfs/dbraw/zinc/18/91/40/465189140.db2.gz OTTCWEUUYOSEDT-QGZVFWFLSA-N 1 2 338.411 2.040 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@@H]2CCCCO2)CCC(=O)N1C1CC1 ZINC000329011298 465201587 /nfs/dbraw/zinc/20/15/87/465201587.db2.gz IGBBVOMGMPBYCR-UKPHBRMFSA-N 1 2 346.431 2.140 20 30 EEEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C3CC3)C3CC3)CC[C@@H]21 ZINC000329023754 465206874 /nfs/dbraw/zinc/20/68/74/465206874.db2.gz NBAPLTYUQNIOIK-CABCVRRESA-N 1 2 334.464 2.212 20 30 EEEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C3CC3)C3CC3)CC[C@@H]21 ZINC000329023754 465206879 /nfs/dbraw/zinc/20/68/79/465206879.db2.gz NBAPLTYUQNIOIK-CABCVRRESA-N 1 2 334.464 2.212 20 30 EEEDLO C=CC[C@@H](CO)CNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000341685921 465254417 /nfs/dbraw/zinc/25/44/17/465254417.db2.gz UIPXVISCPGTABU-CJNGLKHVSA-N 1 2 346.406 2.132 20 30 EEEDLO CC(C)(CCC#N)CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000358676847 465258099 /nfs/dbraw/zinc/25/80/99/465258099.db2.gz ATDWJGGWLIZPKL-UHFFFAOYSA-N 1 2 329.448 2.239 20 30 EEEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccon1 ZINC000347865443 465273141 /nfs/dbraw/zinc/27/31/41/465273141.db2.gz XJKZQFRAUVOJSI-CQSZACIVSA-N 1 2 339.399 2.135 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C(F)(F)F)c3)n2C)CC1 ZINC000491145816 468308441 /nfs/dbraw/zinc/30/84/41/468308441.db2.gz MMUZVMKTRODRIA-UHFFFAOYSA-N 1 2 349.360 2.256 20 30 EEEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C#N)cc3)c[nH+]2)CCO1 ZINC000046716215 462697975 /nfs/dbraw/zinc/69/79/75/462697975.db2.gz XQMRZNNCFORKFW-CQSZACIVSA-N 1 2 336.395 2.108 20 30 EEEDLO Cc1noc(C2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)n1 ZINC000064940248 462728647 /nfs/dbraw/zinc/72/86/47/462728647.db2.gz RZTUVBVRAMHWEM-CYBMUJFWSA-N 1 2 345.447 2.289 20 30 EEEDLO N#CCN1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000129933437 462731665 /nfs/dbraw/zinc/73/16/65/462731665.db2.gz DHEBSWNDYXHNJT-UHFFFAOYSA-N 1 2 326.356 2.496 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000130001986 462735579 /nfs/dbraw/zinc/73/55/79/462735579.db2.gz VAMIPVIXBNJDJZ-SFHVURJKSA-N 1 2 342.399 2.368 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000130001986 462735583 /nfs/dbraw/zinc/73/55/83/462735583.db2.gz VAMIPVIXBNJDJZ-SFHVURJKSA-N 1 2 342.399 2.368 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089970226 462757482 /nfs/dbraw/zinc/75/74/82/462757482.db2.gz LLGWNXSSABXTFF-GFCCVEGCSA-N 1 2 347.381 2.107 20 30 EEEDLO C=CCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000118000263 462819910 /nfs/dbraw/zinc/81/99/10/462819910.db2.gz FKYLNSXDUAIQEJ-UHFFFAOYSA-N 1 2 330.400 2.237 20 30 EEEDLO Cc1csc(N2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)n1 ZINC000047891198 462833532 /nfs/dbraw/zinc/83/35/32/462833532.db2.gz VCRCUQWXEISSSZ-RHSMWYFYSA-N 1 2 349.504 2.017 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000066314774 462872823 /nfs/dbraw/zinc/87/28/23/462872823.db2.gz VQXRTFJHMGMBRH-MRXNPFEDSA-N 1 2 349.450 2.045 20 30 EEEDLO Cc1noc([C@@H](C)N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)n1 ZINC000120062825 462958351 /nfs/dbraw/zinc/95/83/51/462958351.db2.gz MJZQBBGBOKYEED-GFCCVEGCSA-N 1 2 329.379 2.268 20 30 EEEDLO NC(COc1ccc(Cl)cc1Cl)=[NH+]OCCC1OCCO1 ZINC000120193155 462971792 /nfs/dbraw/zinc/97/17/92/462971792.db2.gz GSNGWSKTPRMZAB-UHFFFAOYSA-N 1 2 335.187 2.424 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000590762398 468331672 /nfs/dbraw/zinc/33/16/72/468331672.db2.gz XTAMUZJDKCYOEJ-UMVBOHGHSA-N 1 2 333.457 2.474 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000590762398 468331677 /nfs/dbraw/zinc/33/16/77/468331677.db2.gz XTAMUZJDKCYOEJ-UMVBOHGHSA-N 1 2 333.457 2.474 20 30 EEEDLO N#Cc1csc(C[N@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1 ZINC000093667410 463044681 /nfs/dbraw/zinc/04/46/81/463044681.db2.gz IYPIPVBIYLUCFF-HNNXBMFYSA-N 1 2 333.457 2.223 20 30 EEEDLO N#Cc1csc(C[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1 ZINC000093667410 463044682 /nfs/dbraw/zinc/04/46/82/463044682.db2.gz IYPIPVBIYLUCFF-HNNXBMFYSA-N 1 2 333.457 2.223 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000024735775 463096748 /nfs/dbraw/zinc/09/67/48/463096748.db2.gz KJXSOCOVHLKQHG-LLVKDONJSA-N 1 2 332.429 2.128 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000024735775 463096755 /nfs/dbraw/zinc/09/67/55/463096755.db2.gz KJXSOCOVHLKQHG-LLVKDONJSA-N 1 2 332.429 2.128 20 30 EEEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078616143 463135019 /nfs/dbraw/zinc/13/50/19/463135019.db2.gz UDHKHZAFCIKJII-APWZRJJASA-N 1 2 340.471 2.316 20 30 EEEDLO COC(=O)c1ccccc1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026323339 463159115 /nfs/dbraw/zinc/15/91/15/463159115.db2.gz QSTOIQYWZVLMCH-UHFFFAOYSA-N 1 2 337.379 2.415 20 30 EEEDLO COC(=O)c1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026323339 463159122 /nfs/dbraw/zinc/15/91/22/463159122.db2.gz QSTOIQYWZVLMCH-UHFFFAOYSA-N 1 2 337.379 2.415 20 30 EEEDLO N#CC1CCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000144032015 463373325 /nfs/dbraw/zinc/37/33/25/463373325.db2.gz AHGIWPNNIHPYKF-SFHVURJKSA-N 1 2 342.443 2.005 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000070696228 463380328 /nfs/dbraw/zinc/38/03/28/463380328.db2.gz DZXOEZVXTITBOE-RYRKJORJSA-N 1 2 329.444 2.457 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000070696228 463380331 /nfs/dbraw/zinc/38/03/31/463380331.db2.gz DZXOEZVXTITBOE-RYRKJORJSA-N 1 2 329.444 2.457 20 30 EEEDLO Cc1cc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)on1 ZINC000081512572 463450453 /nfs/dbraw/zinc/45/04/53/463450453.db2.gz UBRLBWLAXJIREH-MRXNPFEDSA-N 1 2 345.424 2.466 20 30 EEEDLO Cc1cc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)on1 ZINC000081512572 463450460 /nfs/dbraw/zinc/45/04/60/463450460.db2.gz UBRLBWLAXJIREH-MRXNPFEDSA-N 1 2 345.424 2.466 20 30 EEEDLO Cc1ccc2[nH]c(C(=O)N(CCC#N)CC[NH+]3CCOCC3)cc2c1 ZINC000522192396 468361049 /nfs/dbraw/zinc/36/10/49/468361049.db2.gz GZUCVPLEAUVCOV-UHFFFAOYSA-N 1 2 340.427 2.164 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[NH+]1CCC(C#N)CC1 ZINC000057877054 463526049 /nfs/dbraw/zinc/52/60/49/463526049.db2.gz ZMXSIMLCBOVMGX-CQSZACIVSA-N 1 2 340.427 2.376 20 30 EEEDLO C#CC[NH+]1CCN(Cn2nc(-c3sccc3C)oc2=S)CC1 ZINC000106854080 463542167 /nfs/dbraw/zinc/54/21/67/463542167.db2.gz ONTYLZRRJYXMQG-UHFFFAOYSA-N 1 2 334.470 2.451 20 30 EEEDLO CCCCCNC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354490 463558762 /nfs/dbraw/zinc/55/87/62/463558762.db2.gz OZZAGSINZBQKPW-QGZVFWFLSA-N 1 2 342.487 2.371 20 30 EEEDLO CCCCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000042354490 463558767 /nfs/dbraw/zinc/55/87/67/463558767.db2.gz OZZAGSINZBQKPW-QGZVFWFLSA-N 1 2 342.487 2.371 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cnn(C)c1 ZINC000073642670 463638033 /nfs/dbraw/zinc/63/80/33/463638033.db2.gz RFLRHZCPAFFGKQ-CQSZACIVSA-N 1 2 343.406 2.326 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1cnn(C)c1 ZINC000073642670 463638038 /nfs/dbraw/zinc/63/80/38/463638038.db2.gz RFLRHZCPAFFGKQ-CQSZACIVSA-N 1 2 343.406 2.326 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2cc(C)ccn2)CC1 ZINC000166096632 463650969 /nfs/dbraw/zinc/65/09/69/463650969.db2.gz FRZJWNMCKYBSIF-KRWDZBQOSA-N 1 2 328.460 2.101 20 30 EEEDLO C[C@@H]1C[N@H+](CCNc2c(C#N)cnc3c(F)ccc(Cl)c32)CCO1 ZINC000522275348 468367749 /nfs/dbraw/zinc/36/77/49/468367749.db2.gz SQOUIVSVUSGHLU-LLVKDONJSA-N 1 2 348.809 2.453 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNc2c(C#N)cnc3c(F)ccc(Cl)c32)CCO1 ZINC000522275348 468367753 /nfs/dbraw/zinc/36/77/53/468367753.db2.gz SQOUIVSVUSGHLU-LLVKDONJSA-N 1 2 348.809 2.453 20 30 EEEDLO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000073746810 463652242 /nfs/dbraw/zinc/65/22/42/463652242.db2.gz LNCPHQZWZULZGH-QAPCUYQASA-N 1 2 342.443 2.125 20 30 EEEDLO CCc1ccc(NC(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000193774019 463739251 /nfs/dbraw/zinc/73/92/51/463739251.db2.gz YTHJKKIHQICKET-UHFFFAOYSA-N 1 2 349.438 2.276 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000185144832 463761178 /nfs/dbraw/zinc/76/11/78/463761178.db2.gz BBQAJMKZWMWZEH-OAHLLOKOSA-N 1 2 339.480 2.258 20 30 EEEDLO C=CCn1c(C2CCC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000283345151 463853685 /nfs/dbraw/zinc/85/36/85/463853685.db2.gz AREAFVORSPGWKU-UHFFFAOYSA-N 1 2 339.447 2.157 20 30 EEEDLO C=CCCCCCCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000287306317 463864868 /nfs/dbraw/zinc/86/48/68/463864868.db2.gz WUHSLOOZWHHERI-UHFFFAOYSA-N 1 2 349.479 2.473 20 30 EEEDLO C#CCC(C)(C)C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000185882945 463899346 /nfs/dbraw/zinc/89/93/46/463899346.db2.gz SXQGMMQJIUKJPT-UHFFFAOYSA-N 1 2 344.455 2.268 20 30 EEEDLO Cc1cccc2[nH+]c(CNC(=O)C(=O)Nc3cccc(C#N)c3C)cn21 ZINC000178473426 463907048 /nfs/dbraw/zinc/90/70/48/463907048.db2.gz WUUFSKXAAFEFNZ-UHFFFAOYSA-N 1 2 347.378 2.078 20 30 EEEDLO Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)cc1C ZINC000278547451 463969419 /nfs/dbraw/zinc/96/94/19/463969419.db2.gz HBCLMDDHBGHFJJ-IAGOWNOFSA-N 1 2 347.484 2.302 20 30 EEEDLO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ncn(C)n1 ZINC000298576573 465438723 /nfs/dbraw/zinc/43/87/23/465438723.db2.gz QRNCXEJANKDTLX-SNVBAGLBSA-N 1 2 332.795 2.020 20 30 EEEDLO N#CCOc1ccccc1-c1nc([C@@H]2C[N@@H+](C3CC3)CCO2)no1 ZINC000289208128 464070556 /nfs/dbraw/zinc/07/05/56/464070556.db2.gz YCIBRAVXTCTMAX-HNNXBMFYSA-N 1 2 326.356 2.175 20 30 EEEDLO N#CCOc1ccccc1-c1nc([C@@H]2C[N@H+](C3CC3)CCO2)no1 ZINC000289208128 464070560 /nfs/dbraw/zinc/07/05/60/464070560.db2.gz YCIBRAVXTCTMAX-HNNXBMFYSA-N 1 2 326.356 2.175 20 30 EEEDLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292152930 464167933 /nfs/dbraw/zinc/16/79/33/464167933.db2.gz KJGXPTUKPUPRNX-QGZVFWFLSA-N 1 2 336.395 2.354 20 30 EEEDLO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292152930 464167938 /nfs/dbraw/zinc/16/79/38/464167938.db2.gz KJGXPTUKPUPRNX-QGZVFWFLSA-N 1 2 336.395 2.354 20 30 EEEDLO CCc1ccc(C#CC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000292802407 464346791 /nfs/dbraw/zinc/34/67/91/464346791.db2.gz NLSJACPVHZHQAQ-UHFFFAOYSA-N 1 2 349.434 2.149 20 30 EEEDLO C=CCN(Cc1cn2cc(Cl)ccc2[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000264530689 464361591 /nfs/dbraw/zinc/36/15/91/464361591.db2.gz DHCRPNZIRZZLKJ-AWEZNQCLSA-N 1 2 339.848 2.163 20 30 EEEDLO C[C@@H]([NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)N(C)CCC#N ZINC000174333252 464395921 /nfs/dbraw/zinc/39/59/21/464395921.db2.gz TXOPGPNPFNVQAZ-VXGBXAGGSA-N 1 2 345.378 2.287 20 30 EEEDLO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)N[C@@H]1CCCOC1 ZINC000329907263 465469818 /nfs/dbraw/zinc/46/98/18/465469818.db2.gz KTOYVZIWOIEDDO-MJBXVCDLSA-N 1 2 341.452 2.343 20 30 EEEDLO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)N[C@@H]1CCCOC1 ZINC000329907263 465469825 /nfs/dbraw/zinc/46/98/25/465469825.db2.gz KTOYVZIWOIEDDO-MJBXVCDLSA-N 1 2 341.452 2.343 20 30 EEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000264630146 464401797 /nfs/dbraw/zinc/40/17/97/464401797.db2.gz KJRAFMHBVKHEPR-OAHLLOKOSA-N 1 2 344.434 2.220 20 30 EEEDLO C=CCCCCCN(C)C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000298679697 465470083 /nfs/dbraw/zinc/47/00/83/465470083.db2.gz YBJUPIHFCHEQQT-HNNXBMFYSA-N 1 2 332.448 2.321 20 30 EEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)NC1CCCCC1 ZINC000329920386 465474199 /nfs/dbraw/zinc/47/41/99/465474199.db2.gz DWXGRFWBGRKSNN-ZFWWWQNUSA-N 1 2 337.443 2.169 20 30 EEEDLO CCOC(=O)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)[C@H](C)CC ZINC000181628887 464516388 /nfs/dbraw/zinc/51/63/88/464516388.db2.gz YUYKZPYYPQGKOI-DYVFJYSZSA-N 1 2 331.416 2.454 20 30 EEEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 ZINC000175464302 464554288 /nfs/dbraw/zinc/55/42/88/464554288.db2.gz BXSMBBNBEKZTPD-UHFFFAOYSA-N 1 2 334.416 2.046 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000281770482 464577980 /nfs/dbraw/zinc/57/79/80/464577980.db2.gz JNXHMXVFANQPMZ-WMLDXEAASA-N 1 2 328.416 2.423 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000547445108 468412076 /nfs/dbraw/zinc/41/20/76/468412076.db2.gz ZDNLISBIGJXCII-MOPGFXCFSA-N 1 2 349.471 2.281 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000547445108 468412077 /nfs/dbraw/zinc/41/20/77/468412077.db2.gz ZDNLISBIGJXCII-MOPGFXCFSA-N 1 2 349.471 2.281 20 30 EEEDLO Cc1noc([C@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000285628016 464633070 /nfs/dbraw/zinc/63/30/70/464633070.db2.gz LDRZRDOYUMTFHQ-NVXWUHKLSA-N 1 2 342.399 2.217 20 30 EEEDLO Cc1noc([C@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000285628016 464633086 /nfs/dbraw/zinc/63/30/86/464633086.db2.gz LDRZRDOYUMTFHQ-NVXWUHKLSA-N 1 2 342.399 2.217 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285648436 464642762 /nfs/dbraw/zinc/64/27/62/464642762.db2.gz YDPRBPHFGMGPDJ-AWEZNQCLSA-N 1 2 343.427 2.318 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285648436 464642767 /nfs/dbraw/zinc/64/27/67/464642767.db2.gz YDPRBPHFGMGPDJ-AWEZNQCLSA-N 1 2 343.427 2.318 20 30 EEEDLO C=CCN1CC[C@H]([NH+]2CCN([C@H](C)c3cccc(OC)c3)CC2)C1=O ZINC000281976939 464654994 /nfs/dbraw/zinc/65/49/94/464654994.db2.gz LREUBSXOJDXLJQ-APWZRJJASA-N 1 2 343.471 2.161 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)CCO1 ZINC000275224499 464768086 /nfs/dbraw/zinc/76/80/86/464768086.db2.gz ATYJOKFXQCUZFG-CJNGLKHVSA-N 1 2 343.362 2.473 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000191625703 464823477 /nfs/dbraw/zinc/82/34/77/464823477.db2.gz GNRHWBPSSNVMHL-HNNXBMFYSA-N 1 2 332.423 2.098 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000191625703 464823478 /nfs/dbraw/zinc/82/34/78/464823478.db2.gz GNRHWBPSSNVMHL-HNNXBMFYSA-N 1 2 332.423 2.098 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nnc(-c2ccccc2F)o1 ZINC000591241184 468431303 /nfs/dbraw/zinc/43/13/03/468431303.db2.gz LDAIHQLBOUYPHR-LLVKDONJSA-N 1 2 336.392 2.174 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nnc(-c2ccccc2F)o1 ZINC000591241184 468431308 /nfs/dbraw/zinc/43/13/08/468431308.db2.gz LDAIHQLBOUYPHR-LLVKDONJSA-N 1 2 336.392 2.174 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1CNC(=O)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000329467879 465344531 /nfs/dbraw/zinc/34/45/31/465344531.db2.gz WYHBKDTZMAWJFK-OCCSQVGLSA-N 1 2 334.395 2.022 20 30 EEEDLO C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000359219540 465386887 /nfs/dbraw/zinc/38/68/87/465386887.db2.gz FRRFJFVUEBSIDA-DFBGVHRSSA-N 1 2 341.814 2.070 20 30 EEEDLO C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000359219540 465386891 /nfs/dbraw/zinc/38/68/91/465386891.db2.gz FRRFJFVUEBSIDA-DFBGVHRSSA-N 1 2 341.814 2.070 20 30 EEEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@H]1C[C@]12CCOC2 ZINC000329695334 465407900 /nfs/dbraw/zinc/40/79/00/465407900.db2.gz BJODJXYPHAWNNN-ACJLOTCBSA-N 1 2 342.399 2.414 20 30 EEEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329794401 465437196 /nfs/dbraw/zinc/43/71/96/465437196.db2.gz VYDWSXQZVWCHRH-PSOPSSQASA-N 1 2 335.791 2.496 20 30 EEEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000329912897 465472295 /nfs/dbraw/zinc/47/22/95/465472295.db2.gz WZSCTPSQILJJSO-CXAGYDPISA-N 1 2 339.436 2.069 20 30 EEEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000329912897 465472299 /nfs/dbraw/zinc/47/22/99/465472299.db2.gz WZSCTPSQILJJSO-CXAGYDPISA-N 1 2 339.436 2.069 20 30 EEEDLO C=CCc1cc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C(=O)OC)cc(OC)c1O ZINC000360002017 465518120 /nfs/dbraw/zinc/51/81/20/465518120.db2.gz XFSIRPSQXUYADL-HZPDHXFCSA-N 1 2 349.427 2.282 20 30 EEEDLO C=CCc1cc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C(=O)OC)cc(OC)c1O ZINC000360002017 465518126 /nfs/dbraw/zinc/51/81/26/465518126.db2.gz XFSIRPSQXUYADL-HZPDHXFCSA-N 1 2 349.427 2.282 20 30 EEEDLO CCN(CC)C(=O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348306422 465542054 /nfs/dbraw/zinc/54/20/54/465542054.db2.gz LRXOXNLRZRQHMV-QGZVFWFLSA-N 1 2 348.878 2.391 20 30 EEEDLO CCCNC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348333617 465555761 /nfs/dbraw/zinc/55/57/61/465555761.db2.gz ZZDKCZUESRIBBC-YOEHRIQHSA-N 1 2 348.878 2.437 20 30 EEEDLO CCN1CCN(C(=O)NCCOC2CCCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330329334 465615668 /nfs/dbraw/zinc/61/56/68/465615668.db2.gz MLHPTYCZPJFGBD-INIZCTEOSA-N 1 2 349.479 2.352 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccco1)C[C@H]1CCCO1)C1CC1 ZINC000299131397 465616339 /nfs/dbraw/zinc/61/63/39/465616339.db2.gz LVBXKXXHAGOIJK-AEFFLSMTSA-N 1 2 331.416 2.069 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccco1)C[C@H]1CCCO1)C1CC1 ZINC000299131397 465616345 /nfs/dbraw/zinc/61/63/45/465616345.db2.gz LVBXKXXHAGOIJK-AEFFLSMTSA-N 1 2 331.416 2.069 20 30 EEEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CC[C@@H](O)C12CCCC2 ZINC000330362011 465631650 /nfs/dbraw/zinc/63/16/50/465631650.db2.gz ZAERZDJPBADQGU-OAHLLOKOSA-N 1 2 332.448 2.055 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000299305348 465688654 /nfs/dbraw/zinc/68/86/54/465688654.db2.gz HZBDHYIODOPRNQ-UHFFFAOYSA-N 1 2 339.208 2.369 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C2)c(F)c1 ZINC000366384739 465694789 /nfs/dbraw/zinc/69/47/89/465694789.db2.gz ZGLJEKDORALJPN-OAHLLOKOSA-N 1 2 341.390 2.138 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C2)c(F)c1 ZINC000366384739 465694792 /nfs/dbraw/zinc/69/47/92/465694792.db2.gz ZGLJEKDORALJPN-OAHLLOKOSA-N 1 2 341.390 2.138 20 30 EEEDLO CNC(=O)CCN(C)C(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000330785051 465803627 /nfs/dbraw/zinc/80/36/27/465803627.db2.gz SUYZDOMIBMUFHN-AWEZNQCLSA-N 1 2 347.463 2.382 20 30 EEEDLO C=CC[N@H+](Cc1ccccc1F)C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000353330652 465804199 /nfs/dbraw/zinc/80/41/99/465804199.db2.gz MEIDZOMZHRPTQU-NUJGCVRESA-N 1 2 336.451 2.284 20 30 EEEDLO C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000353330652 465804206 /nfs/dbraw/zinc/80/42/06/465804206.db2.gz MEIDZOMZHRPTQU-NUJGCVRESA-N 1 2 336.451 2.284 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000340191475 465859113 /nfs/dbraw/zinc/85/91/13/465859113.db2.gz GIPOXWRDTGCMTA-UKRRQHHQSA-N 1 2 341.333 2.274 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000340191475 465859116 /nfs/dbraw/zinc/85/91/16/465859116.db2.gz GIPOXWRDTGCMTA-UKRRQHHQSA-N 1 2 341.333 2.274 20 30 EEEDLO CCc1nc(C)c(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)s1 ZINC000331175023 465967206 /nfs/dbraw/zinc/96/72/06/465967206.db2.gz FBDSTMMRFDLSIR-UHFFFAOYSA-N 1 2 326.466 2.451 20 30 EEEDLO CCc1nc(C)c(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)s1 ZINC000331175023 465967212 /nfs/dbraw/zinc/96/72/12/465967212.db2.gz FBDSTMMRFDLSIR-UHFFFAOYSA-N 1 2 326.466 2.451 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)CCCCC1 ZINC000331536591 466129108 /nfs/dbraw/zinc/12/91/08/466129108.db2.gz FYJCXDPXLCQLAQ-DLBZAZTESA-N 1 2 345.418 2.276 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)CCCCC1 ZINC000331536591 466129117 /nfs/dbraw/zinc/12/91/17/466129117.db2.gz FYJCXDPXLCQLAQ-DLBZAZTESA-N 1 2 345.418 2.276 20 30 EEEDLO C=CCN(C(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C)C1CC1 ZINC000346989389 466299832 /nfs/dbraw/zinc/29/98/32/466299832.db2.gz WVIDQAFBOXWCTM-YJBOKZPZSA-N 1 2 342.443 2.039 20 30 EEEDLO C=CCc1ccc(OCC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(OC)c1 ZINC000427987712 467191686 /nfs/dbraw/zinc/19/16/86/467191686.db2.gz BULCMIYYOATOEB-OAHLLOKOSA-N 1 2 341.411 2.130 20 30 EEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCC2(C#N)CCC2)CC1 ZINC000419627831 467226836 /nfs/dbraw/zinc/22/68/36/467226836.db2.gz PCSBPTJDCQUFIX-HNNXBMFYSA-N 1 2 327.432 2.164 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c1C ZINC000451984343 467294066 /nfs/dbraw/zinc/29/40/66/467294066.db2.gz DEKZCPHLGWTZNL-MRXNPFEDSA-N 1 2 346.475 2.209 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c1C ZINC000451984343 467294070 /nfs/dbraw/zinc/29/40/70/467294070.db2.gz DEKZCPHLGWTZNL-MRXNPFEDSA-N 1 2 346.475 2.209 20 30 EEEDLO Cc1cc(OC[C@@H](O)C[N@H+](C)CCC#N)c(Cl)cc1[N+](=O)[O-] ZINC000414131280 467381120 /nfs/dbraw/zinc/38/11/20/467381120.db2.gz YVFXXBDCWZFQIW-NSHDSACASA-N 1 2 327.768 2.142 20 30 EEEDLO Cc1cc(OC[C@@H](O)C[N@@H+](C)CCC#N)c(Cl)cc1[N+](=O)[O-] ZINC000414131280 467381124 /nfs/dbraw/zinc/38/11/24/467381124.db2.gz YVFXXBDCWZFQIW-NSHDSACASA-N 1 2 327.768 2.142 20 30 EEEDLO C=CCOc1cccc(C[NH+]2CCN(C(COC)COC)CC2)c1 ZINC000414475770 467412355 /nfs/dbraw/zinc/41/23/55/467412355.db2.gz VWAZYBUADMVDLV-UHFFFAOYSA-N 1 2 334.460 2.030 20 30 EEEDLO C=CC[C@@H](C)NC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000441165647 467571735 /nfs/dbraw/zinc/57/17/35/467571735.db2.gz GJSQZCFJTWMTNI-CXAGYDPISA-N 1 2 325.453 2.056 20 30 EEEDLO C[C@@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)c1[nH]cc[nH+]1 ZINC000496728630 467699832 /nfs/dbraw/zinc/69/98/32/467699832.db2.gz VWVLZDMFXUZOAC-NEPJUHHUSA-N 1 2 335.408 2.174 20 30 EEEDLO C=CCc1cc(CNC(=O)C=Cc2c[nH]c[nH+]2)cc(OC)c1OC ZINC000492905345 467790713 /nfs/dbraw/zinc/79/07/13/467790713.db2.gz ZYJUPGNJKHKTFG-VOTSOKGWSA-N 1 2 327.384 2.485 20 30 EEEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCCn1cc[nH+]c1 ZINC000505741059 467940342 /nfs/dbraw/zinc/94/03/42/467940342.db2.gz ZULOAQXLGNEXBY-UHFFFAOYSA-N 1 2 332.404 2.146 20 30 EEEDLO CCOC(=O)N1CCC[N@H+](Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000494106177 468028044 /nfs/dbraw/zinc/02/80/44/468028044.db2.gz GBYIUBAAUUXUNH-UHFFFAOYSA-N 1 2 345.399 2.009 20 30 EEEDLO CCOC(=O)N1CCC[N@@H+](Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000494106177 468028047 /nfs/dbraw/zinc/02/80/47/468028047.db2.gz GBYIUBAAUUXUNH-UHFFFAOYSA-N 1 2 345.399 2.009 20 30 EEEDLO CC(C)CC(=O)Nc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000517025398 468066671 /nfs/dbraw/zinc/06/66/71/468066671.db2.gz QOPJTHDYMBWKAW-QGZVFWFLSA-N 1 2 332.448 2.289 20 30 EEEDLO CC(C)CC(=O)Nc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000517025398 468066673 /nfs/dbraw/zinc/06/66/73/468066673.db2.gz QOPJTHDYMBWKAW-QGZVFWFLSA-N 1 2 332.448 2.289 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN([C@@H]3CC[C@H](C#N)C3)CC2)C1 ZINC000495594143 468097499 /nfs/dbraw/zinc/09/74/99/468097499.db2.gz MCWLVXXLFQKBNU-BBWFWOEESA-N 1 2 348.491 2.306 20 30 EEEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000489503309 468145597 /nfs/dbraw/zinc/14/55/97/468145597.db2.gz XXFIAADEJHZFNN-GFCCVEGCSA-N 1 2 346.822 2.295 20 30 EEEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000489503309 468145604 /nfs/dbraw/zinc/14/56/04/468145604.db2.gz XXFIAADEJHZFNN-GFCCVEGCSA-N 1 2 346.822 2.295 20 30 EEEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000566429494 468151618 /nfs/dbraw/zinc/15/16/18/468151618.db2.gz WEMCUAKFPUFGDA-KGLIPLIRSA-N 1 2 328.416 2.422 20 30 EEEDLO COc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1-c1ccccn1 ZINC000566740036 468157670 /nfs/dbraw/zinc/15/76/70/468157670.db2.gz FHBBLHQCMIPQRN-IBGZPJMESA-N 1 2 338.411 2.331 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000576640611 468170080 /nfs/dbraw/zinc/17/00/80/468170080.db2.gz PADWEEDGYANKFT-CQSZACIVSA-N 1 2 329.322 2.088 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000567724114 468195699 /nfs/dbraw/zinc/19/56/99/468195699.db2.gz CKXXRVWGMBSRCN-KBAYOESNSA-N 1 2 347.846 2.256 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000567724114 468195706 /nfs/dbraw/zinc/19/57/06/468195706.db2.gz CKXXRVWGMBSRCN-KBAYOESNSA-N 1 2 347.846 2.256 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000496456584 468258484 /nfs/dbraw/zinc/25/84/84/468258484.db2.gz CQLIVEMCTATRSE-UONOGXRCSA-N 1 2 340.855 2.465 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000496456584 468258488 /nfs/dbraw/zinc/25/84/88/468258488.db2.gz CQLIVEMCTATRSE-UONOGXRCSA-N 1 2 340.855 2.465 20 30 EEEDLO C=CC[C@H]1N(C(=O)C(=O)NCCCCn2cc[nH+]c2)CCCC1(C)C ZINC000556643009 468539058 /nfs/dbraw/zinc/53/90/58/468539058.db2.gz YELCAXXEURTAMW-MRXNPFEDSA-N 1 2 346.475 2.373 20 30 EEEDLO Cc1[nH]c(C#N)cc1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000597639506 468623187 /nfs/dbraw/zinc/62/31/87/468623187.db2.gz ARTBDVNSVVSCJQ-UHFFFAOYSA-N 1 2 343.456 2.429 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C1 ZINC000592149326 468638836 /nfs/dbraw/zinc/63/88/36/468638836.db2.gz NBUBXCJSEDJWNC-HNNXBMFYSA-N 1 2 338.289 2.004 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C1 ZINC000592149326 468638842 /nfs/dbraw/zinc/63/88/42/468638842.db2.gz NBUBXCJSEDJWNC-HNNXBMFYSA-N 1 2 338.289 2.004 20 30 EEEDLO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149614 468639489 /nfs/dbraw/zinc/63/94/89/468639489.db2.gz SCYGDJGMUWEZSK-MGPLVRAMSA-N 1 2 348.403 2.113 20 30 EEEDLO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149614 468639491 /nfs/dbraw/zinc/63/94/91/468639491.db2.gz SCYGDJGMUWEZSK-MGPLVRAMSA-N 1 2 348.403 2.113 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000570846736 468702624 /nfs/dbraw/zinc/70/26/24/468702624.db2.gz DGAUPJCVZLUMHQ-CXAGYDPISA-N 1 2 334.851 2.126 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000571214349 468756379 /nfs/dbraw/zinc/75/63/79/468756379.db2.gz GIQGQUVTVMUXOF-KRWDZBQOSA-N 1 2 346.431 2.447 20 30 EEEDLO Cc1ccnc(-c2ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc2)n1 ZINC000583990118 468781841 /nfs/dbraw/zinc/78/18/41/468781841.db2.gz GIOXNWNUPJXKQW-KRWDZBQOSA-N 1 2 325.416 2.070 20 30 EEEDLO Cc1ccnc(-c2ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc2)n1 ZINC000583990118 468781843 /nfs/dbraw/zinc/78/18/43/468781843.db2.gz GIOXNWNUPJXKQW-KRWDZBQOSA-N 1 2 325.416 2.070 20 30 EEEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC([C@H](C)CO)CC2)c(C#N)c1C ZINC000593082452 468864031 /nfs/dbraw/zinc/86/40/31/468864031.db2.gz HKVSKNHAYTZAFZ-DGCLKSJQSA-N 1 2 333.432 2.436 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610844663 469086777 /nfs/dbraw/zinc/08/67/77/469086777.db2.gz IMIPXLBABVQRQF-ORAYPTAESA-N 1 2 339.443 2.405 20 30 EEEDLO N#Cc1cc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)ccn1 ZINC000587977206 469097874 /nfs/dbraw/zinc/09/78/74/469097874.db2.gz WJUGTUIVNXXPPQ-SFHVURJKSA-N 1 2 342.830 2.462 20 30 EEEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000602860413 469125908 /nfs/dbraw/zinc/12/59/08/469125908.db2.gz CWVXNZWTLQGCGW-NSHDSACASA-N 1 2 329.322 2.092 20 30 EEEDLO C[C@H](CC#N)[NH2+]CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000602865791 469127273 /nfs/dbraw/zinc/12/72/73/469127273.db2.gz YXXOLZGARSLBLJ-CQSZACIVSA-N 1 2 343.427 2.235 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)CNCC(F)(F)c1ccc(Cl)cc1 ZINC000573480337 469142931 /nfs/dbraw/zinc/14/29/31/469142931.db2.gz LIZZYCCYRQERFM-AWEZNQCLSA-N 1 2 331.794 2.228 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNCC(F)(F)c1ccc(Cl)cc1 ZINC000573480337 469142933 /nfs/dbraw/zinc/14/29/33/469142933.db2.gz LIZZYCCYRQERFM-AWEZNQCLSA-N 1 2 331.794 2.228 20 30 EEEDLO Cc1n[nH]cc1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000602941201 469178787 /nfs/dbraw/zinc/17/87/87/469178787.db2.gz HBKSNSBIMNJXEO-OAHLLOKOSA-N 1 2 325.416 2.485 20 30 EEEDLO Cc1n[nH]cc1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000602941201 469178795 /nfs/dbraw/zinc/17/87/95/469178795.db2.gz HBKSNSBIMNJXEO-OAHLLOKOSA-N 1 2 325.416 2.485 20 30 EEEDLO C[N@@H+](Cc1nccn1C(F)F)C[C@@H](O)COc1ccccc1C#N ZINC000599268072 469183474 /nfs/dbraw/zinc/18/34/74/469183474.db2.gz XTKQLHGHOLZIPM-CYBMUJFWSA-N 1 2 336.342 2.022 20 30 EEEDLO C[N@H+](Cc1nccn1C(F)F)C[C@@H](O)COc1ccccc1C#N ZINC000599268072 469183479 /nfs/dbraw/zinc/18/34/79/469183479.db2.gz XTKQLHGHOLZIPM-CYBMUJFWSA-N 1 2 336.342 2.022 20 30 EEEDLO CN(CC(C)(C)C[NH+]1CCOCC1)c1nc(C#N)c(Cl)s1 ZINC000596172110 469185479 /nfs/dbraw/zinc/18/54/79/469185479.db2.gz KLPXGIUOZMBODI-UHFFFAOYSA-N 1 2 328.869 2.463 20 30 EEEDLO Cc1nc(C2([NH2+]C[C@H](O)COc3ccccc3C#N)CCCC2)no1 ZINC000599304270 469200095 /nfs/dbraw/zinc/20/00/95/469200095.db2.gz PPRNFCADOLSUNF-HNNXBMFYSA-N 1 2 342.399 2.049 20 30 EEEDLO N#Cc1cc(O)cc(C(=O)NCCNc2ccc3ccccc3[nH+]2)c1 ZINC000589181878 469208031 /nfs/dbraw/zinc/20/80/31/469208031.db2.gz JYBRNIFECFBMMR-UHFFFAOYSA-N 1 2 332.363 2.654 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000599336408 469216609 /nfs/dbraw/zinc/21/66/09/469216609.db2.gz JSEKROAXHSELNX-ZWKOTPCHSA-N 1 2 332.492 2.086 20 30 EEEDLO N#Cc1nc(C2CC2)oc1N1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000611410872 469243376 /nfs/dbraw/zinc/24/33/76/469243376.db2.gz YVJBZTAFFWOYHH-UHFFFAOYSA-N 1 2 348.410 2.394 20 30 EEEDLO N#Cc1cc(F)cc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000603079978 469253501 /nfs/dbraw/zinc/25/35/01/469253501.db2.gz FUDGIKIFIBUFIC-UHFFFAOYSA-N 1 2 339.374 2.442 20 30 EEEDLO CC1CCN(c2ccc(CNC(=O)N3CC[C@](F)(C#N)C3)c[nH+]2)CC1 ZINC000615534530 469256370 /nfs/dbraw/zinc/25/63/70/469256370.db2.gz DBOFSVNSYSOXFG-SFHVURJKSA-N 1 2 345.422 2.465 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599515469 469281608 /nfs/dbraw/zinc/28/16/08/469281608.db2.gz SSXVGRZXHMFPQE-CYBMUJFWSA-N 1 2 337.370 2.156 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599515469 469281610 /nfs/dbraw/zinc/28/16/10/469281610.db2.gz SSXVGRZXHMFPQE-CYBMUJFWSA-N 1 2 337.370 2.156 20 30 EEEDLO Cc1nc(N2CCN(c3c(C#N)cnn3-c3ccccc3)CC2)cc[nH+]1 ZINC000603338815 469353752 /nfs/dbraw/zinc/35/37/52/469353752.db2.gz NCBBJBPVVBQHQU-UHFFFAOYSA-N 1 2 345.410 2.169 20 30 EEEDLO CCOC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612158004 469407128 /nfs/dbraw/zinc/40/71/28/469407128.db2.gz GTSQKXJSJZDZDR-VQIMIIECSA-N 1 2 346.427 2.229 20 30 EEEDLO CCOC(=O)c1cccc(OC[C@H](O)C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612158004 469407132 /nfs/dbraw/zinc/40/71/32/469407132.db2.gz GTSQKXJSJZDZDR-VQIMIIECSA-N 1 2 346.427 2.229 20 30 EEEDLO CCOC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612158001 469407551 /nfs/dbraw/zinc/40/75/51/469407551.db2.gz GTSQKXJSJZDZDR-QFBILLFUSA-N 1 2 346.427 2.229 20 30 EEEDLO CCOC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612158001 469407555 /nfs/dbraw/zinc/40/75/55/469407555.db2.gz GTSQKXJSJZDZDR-QFBILLFUSA-N 1 2 346.427 2.229 20 30 EEEDLO C=CC1CCN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)CC1 ZINC000608520856 469832946 /nfs/dbraw/zinc/83/29/46/469832946.db2.gz LSUUJRGZRMRDES-UHFFFAOYSA-N 1 2 326.400 2.245 20 30 EEEDLO Cc1cc(S(=O)(=O)NCC[NH+]2Cc3ccccc3C2)ccc1C#N ZINC000618176562 469914159 /nfs/dbraw/zinc/91/41/59/469914159.db2.gz UHIRQYBLZLZCME-UHFFFAOYSA-N 1 2 341.436 2.161 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000642098450 470524133 /nfs/dbraw/zinc/52/41/33/470524133.db2.gz PUYBBUCLVGRCJP-INIZCTEOSA-N 1 2 337.508 2.380 20 30 EEEDLO CC(=O)c1cccc(OCCCC(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000650026511 470772088 /nfs/dbraw/zinc/77/20/88/470772088.db2.gz JYHDUMXQUJJDQC-GOSISDBHSA-N 1 2 331.416 2.008 20 30 EEEDLO C=CCN(C(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C1CC1 ZINC000637681274 470803559 /nfs/dbraw/zinc/80/35/59/470803559.db2.gz JWWCMEHYPFKRNI-UHFFFAOYSA-N 1 2 332.473 2.495 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2nc(-c3ccc(CC)cc3)no2)nn1 ZINC000640858754 471073402 /nfs/dbraw/zinc/07/34/02/471073402.db2.gz BKLZJVRDUUDILT-UHFFFAOYSA-N 1 2 336.399 2.052 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2cc(-c3ccc(OC)cc3)no2)nn1 ZINC000641035335 471172123 /nfs/dbraw/zinc/17/21/23/471172123.db2.gz JKCPKHAZHVQDQY-UHFFFAOYSA-N 1 2 337.383 2.103 20 30 EEEDLO C=C(C)COc1cc(C[NH2+]Cc2nc(C(N)=O)cs2)ccc1OC ZINC000657686186 471209134 /nfs/dbraw/zinc/20/91/34/471209134.db2.gz LCUYMFSYYHEQPD-UHFFFAOYSA-N 1 2 347.440 2.495 20 30 EEEDLO C=CCC1(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCCC1 ZINC000666239953 471325876 /nfs/dbraw/zinc/32/58/76/471325876.db2.gz TUHZONVZCKCSRB-UHFFFAOYSA-N 1 2 347.463 2.226 20 30 EEEDLO C=CCCCCCN(C)C(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000659255580 471553815 /nfs/dbraw/zinc/55/38/15/471553815.db2.gz JUGFICIPFYZKHR-INIZCTEOSA-N 1 2 332.448 2.251 20 30 EEEDLO C=CCCn1cc(CN2CC[NH+](Cc3cccc(F)c3)CC2)nn1 ZINC000653570860 471669081 /nfs/dbraw/zinc/66/90/81/471669081.db2.gz GWRDLAWPWWYPSQ-UHFFFAOYSA-N 1 2 329.423 2.311 20 30 EEEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)nn1 ZINC000653594397 471678716 /nfs/dbraw/zinc/67/87/16/471678716.db2.gz QATBXTNYYNAYGK-CQSZACIVSA-N 1 2 327.436 2.229 20 30 EEEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)nn1 ZINC000653594397 471678722 /nfs/dbraw/zinc/67/87/22/471678722.db2.gz QATBXTNYYNAYGK-CQSZACIVSA-N 1 2 327.436 2.229 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000661281777 471699891 /nfs/dbraw/zinc/69/98/91/471699891.db2.gz ZLLBCJRZSIAHRQ-CVEARBPZSA-N 1 2 330.432 2.215 20 30 EEEDLO C=CC[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000660305135 471935189 /nfs/dbraw/zinc/93/51/89/471935189.db2.gz KJGLGEMHBFVIFQ-MRXNPFEDSA-N 1 2 344.459 2.416 20 30 EEEDLO C=CCN(C(=O)NCCc1cn2c(cccc2C)[nH+]1)[C@H](C)COC ZINC000665217002 471971720 /nfs/dbraw/zinc/97/17/20/471971720.db2.gz VDVMOSZTICGTKR-OAHLLOKOSA-N 1 2 330.432 2.418 20 30 EEEDLO C=C[C@@](C)(O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000668574187 472180007 /nfs/dbraw/zinc/18/00/07/472180007.db2.gz RXSBOULRTRRGHJ-RHSMWYFYSA-N 1 2 340.826 2.497 20 30 EEEDLO C=C[C@@](C)(O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000668574187 472180010 /nfs/dbraw/zinc/18/00/10/472180010.db2.gz RXSBOULRTRRGHJ-RHSMWYFYSA-N 1 2 340.826 2.497 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000456764772 534789380 /nfs/dbraw/zinc/78/93/80/534789380.db2.gz FUFOSTBUOHNKDU-DLBZAZTESA-N 1 2 334.485 2.220 20 30 EEEDLO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1ncc(C#N)cn1)CC2 ZINC000496121564 534790368 /nfs/dbraw/zinc/79/03/68/534790368.db2.gz JKHQZZVRBKFFRF-UHFFFAOYSA-N 1 2 343.431 2.181 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106582045 526373301 /nfs/dbraw/zinc/37/33/01/526373301.db2.gz JDILBIZHMJHJFG-OAHLLOKOSA-N 1 2 336.505 2.082 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1cccc(Br)c1 ZINC000493543612 535970417 /nfs/dbraw/zinc/97/04/17/535970417.db2.gz HCMVPAOMSYYRJP-KIUWMYQTSA-N 1 2 336.233 2.422 20 30 EEEDLO C[C@@H]1COCC[N@@H+]1CC/N=C/c1cc(Br)ccc1O ZINC000729148832 576605069 /nfs/dbraw/zinc/60/50/69/576605069.db2.gz FFJIFNWMVYZMLW-LKBVRNOZSA-N 1 2 327.222 2.294 20 30 EEEDLO C[C@@H]1COCC[N@H+]1CC/N=C/c1cc(Br)ccc1O ZINC000729148832 576605072 /nfs/dbraw/zinc/60/50/72/576605072.db2.gz FFJIFNWMVYZMLW-LKBVRNOZSA-N 1 2 327.222 2.294 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Sc2nncn2C)cc1 ZINC000730096727 576714565 /nfs/dbraw/zinc/71/45/65/576714565.db2.gz SIMDBOIVZKAUTG-HNNXBMFYSA-N 1 2 341.440 2.002 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Sc2nncn2C)cc1 ZINC000730096727 576714567 /nfs/dbraw/zinc/71/45/67/576714567.db2.gz SIMDBOIVZKAUTG-HNNXBMFYSA-N 1 2 341.440 2.002 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)NC(C)C)cc1 ZINC000732055252 577145013 /nfs/dbraw/zinc/14/50/13/577145013.db2.gz DGYAKOQPZLPDRJ-INIZCTEOSA-N 1 2 328.416 2.253 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)NC(C)C)cc1 ZINC000732055252 577145014 /nfs/dbraw/zinc/14/50/14/577145014.db2.gz DGYAKOQPZLPDRJ-INIZCTEOSA-N 1 2 328.416 2.253 20 30 EEEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)c2c[nH+]c(C)[nH]2)ccc1OC ZINC000733368017 577226439 /nfs/dbraw/zinc/22/64/39/577226439.db2.gz WPFQTOBVTKBGOW-ZDUSSCGKSA-N 1 2 328.372 2.338 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1occc1Br ZINC000771932517 577239645 /nfs/dbraw/zinc/23/96/45/577239645.db2.gz XSGXMSYUAHTARQ-UHFFFAOYSA-N 1 2 342.237 2.090 20 30 EEEDLO CCCCCCCCNC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000774767648 577417032 /nfs/dbraw/zinc/41/70/32/577417032.db2.gz UAHFCBJZOQKZDE-HNNXBMFYSA-N 1 2 334.464 2.213 20 30 EEEDLO C#C[C@H]([NH2+]Cc1ccc(OC)c(O)c1Br)[C@H]1CCCO1 ZINC000775351730 577435737 /nfs/dbraw/zinc/43/57/37/577435737.db2.gz UEBGIEFFGBBSFH-NWDGAFQWSA-N 1 2 340.217 2.434 20 30 EEEDLO C#C[C@H](NC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2)[C@H]1CCCO1 ZINC000776403656 577459086 /nfs/dbraw/zinc/45/90/86/577459086.db2.gz BAXWEFPLAUJBKB-QFBILLFUSA-N 1 2 349.434 2.133 20 30 EEEDLO C#C[C@H](NC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2)[C@H]1CCCO1 ZINC000776403656 577459087 /nfs/dbraw/zinc/45/90/87/577459087.db2.gz BAXWEFPLAUJBKB-QFBILLFUSA-N 1 2 349.434 2.133 20 30 EEEDLO C[N@@H+]1CCc2nc(NC(=O)Cc3ccccc3CC#N)sc2C1 ZINC000777363841 577477281 /nfs/dbraw/zinc/47/72/81/577477281.db2.gz OQQRJOWKQKOUNF-UHFFFAOYSA-N 1 2 326.425 2.378 20 30 EEEDLO C[N@H+]1CCc2nc(NC(=O)Cc3ccccc3CC#N)sc2C1 ZINC000777363841 577477282 /nfs/dbraw/zinc/47/72/82/577477282.db2.gz OQQRJOWKQKOUNF-UHFFFAOYSA-N 1 2 326.425 2.378 20 30 EEEDLO CN(CCO)c1ccc(C=[NH+]Nc2cc(C#N)cc(Cl)n2)cc1 ZINC000768374689 577554577 /nfs/dbraw/zinc/55/45/77/577554577.db2.gz IVKFSHREWSAUQF-UHFFFAOYSA-N 1 2 329.791 2.481 20 30 EEEDLO Cc1cccn2cc(COc3ccc(C=NN4CN=NC4=O)cc3)[nH+]c12 ZINC000770616200 577600062 /nfs/dbraw/zinc/60/00/62/577600062.db2.gz XJRALTKBRYSIBE-UHFFFAOYSA-N 1 2 348.366 2.401 20 30 EEEDLO S=C(N[NH+]=Cc1ccc(N2CCCC2)nc1)Nc1cccnc1 ZINC000758366761 577623079 /nfs/dbraw/zinc/62/30/79/577623079.db2.gz JGPZAKMYSFZYAC-UHFFFAOYSA-N 1 2 326.429 2.397 20 30 EEEDLO O=[N+]([O-])c1ccc(O)c(/C=N/[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000763098484 577714873 /nfs/dbraw/zinc/71/48/73/577714873.db2.gz XTWMNGMFZGDQDO-SUBKYJBBSA-N 1 2 333.388 2.363 20 30 EEEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC(=O)NCCC#N ZINC000752338507 577769267 /nfs/dbraw/zinc/76/92/67/577769267.db2.gz QPFSHIAWTBZIBU-MRXNPFEDSA-N 1 2 325.416 2.223 20 30 EEEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC(=O)NCCC#N ZINC000752338507 577769268 /nfs/dbraw/zinc/76/92/68/577769268.db2.gz QPFSHIAWTBZIBU-MRXNPFEDSA-N 1 2 325.416 2.223 20 30 EEEDLO O=[N+]([O-])c1ccc(N[NH+]=Cc2cnc(N3CCOCC3)s2)cc1 ZINC000755462915 577825413 /nfs/dbraw/zinc/82/54/13/577825413.db2.gz WIRLHKDNGACZLZ-UHFFFAOYSA-N 1 2 333.373 2.334 20 30 EEEDLO Clc1cnccc1NN=Cc1c(-n2cc[nH+]c2)nc2ccccn12 ZINC000755765136 577830728 /nfs/dbraw/zinc/83/07/28/577830728.db2.gz DXSQQRQQNZMZOL-UHFFFAOYSA-N 1 2 337.774 2.436 20 30 EEEDLO Cc1ccnc(N[NH+]=Cc2c(N3CCOCC3)nc3ccccn32)c1 ZINC000755906719 577833948 /nfs/dbraw/zinc/83/39/48/577833948.db2.gz POQVFBJYSIZTHD-UHFFFAOYSA-N 1 2 336.399 2.320 20 30 EEEDLO C#CC[N@H+](CC(=O)NC(=O)NC1CCCCC1)Cc1ccc(F)cc1 ZINC000744211254 577894642 /nfs/dbraw/zinc/89/46/42/577894642.db2.gz GYMSIOZUABDILQ-UHFFFAOYSA-N 1 2 345.418 2.419 20 30 EEEDLO C#CC[N@@H+](CC(=O)NC(=O)NC1CCCCC1)Cc1ccc(F)cc1 ZINC000744211254 577894643 /nfs/dbraw/zinc/89/46/43/577894643.db2.gz GYMSIOZUABDILQ-UHFFFAOYSA-N 1 2 345.418 2.419 20 30 EEEDLO CC[N@H+](C)[C@@H](C(=O)OCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000745097718 577908952 /nfs/dbraw/zinc/90/89/52/577908952.db2.gz JNPFMWCXLVCLBA-IEBWSBKVSA-N 1 2 343.427 2.031 20 30 EEEDLO CC[N@@H+](C)[C@@H](C(=O)OCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000745097718 577908953 /nfs/dbraw/zinc/90/89/53/577908953.db2.gz JNPFMWCXLVCLBA-IEBWSBKVSA-N 1 2 343.427 2.031 20 30 EEEDLO C#CC[N@@H+](CC)CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000746456683 577927954 /nfs/dbraw/zinc/92/79/54/577927954.db2.gz FACLMAYKWCHYNZ-UHFFFAOYSA-N 1 2 334.441 2.307 20 30 EEEDLO C#CC[N@H+](CC)CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000746456683 577927955 /nfs/dbraw/zinc/92/79/55/577927955.db2.gz FACLMAYKWCHYNZ-UHFFFAOYSA-N 1 2 334.441 2.307 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000746850679 577934759 /nfs/dbraw/zinc/93/47/59/577934759.db2.gz IXIHTMUJMWOWEZ-ZDUSSCGKSA-N 1 2 341.333 2.162 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000746850679 577934760 /nfs/dbraw/zinc/93/47/60/577934760.db2.gz IXIHTMUJMWOWEZ-ZDUSSCGKSA-N 1 2 341.333 2.162 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(Cl)c2Cl)CC1 ZINC000749990643 577985290 /nfs/dbraw/zinc/98/52/90/577985290.db2.gz QFVWASZELMAPQS-UHFFFAOYSA-N 1 2 326.227 2.183 20 30 EEEDLO C#CCOc1cc(F)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000741725974 578123236 /nfs/dbraw/zinc/12/32/36/578123236.db2.gz OMNKFOVQDALJTD-UHFFFAOYSA-N 1 2 337.314 2.066 20 30 EEEDLO Cc1ccc(N2CC[C@H]([NH+]3CCN([C@@H](C#N)C(C)C)CC3)C2=O)cc1 ZINC000741785021 578124110 /nfs/dbraw/zinc/12/41/10/578124110.db2.gz MSDSGEIDFFJHNQ-OALUTQOASA-N 1 2 340.471 2.266 20 30 EEEDLO C[C@@H](NC(=O)c1ccc(F)cn1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969529163 675090548 /nfs/dbraw/zinc/09/05/48/675090548.db2.gz BKUNMAFGHMICAC-CYBMUJFWSA-N 1 2 338.386 2.343 20 30 EEEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000969526004 675092207 /nfs/dbraw/zinc/09/22/07/675092207.db2.gz HNBDFCSEPAPGPC-NSHDSACASA-N 1 2 344.365 2.415 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccns2)C1 ZINC000969692479 675168813 /nfs/dbraw/zinc/16/88/13/675168813.db2.gz NQJREAHZYXRANU-MAZHCROVSA-N 1 2 335.473 2.061 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]([NH2+]Cc2ncc(CC)o2)C1 ZINC000970577063 675998403 /nfs/dbraw/zinc/99/84/03/675998403.db2.gz LJRGIISADAYFKR-QGZVFWFLSA-N 1 2 337.423 2.152 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnn3cc(OC)ccc23)C1 ZINC000970599354 676012924 /nfs/dbraw/zinc/01/29/24/676012924.db2.gz HUHWJCMTUZFMDE-LBPRGKRZSA-N 1 2 348.834 2.146 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2[nH]nc3c2cccc3OC)C1 ZINC000969769780 675196698 /nfs/dbraw/zinc/19/66/98/675196698.db2.gz SGPDBARCHCRDKU-NSHDSACASA-N 1 2 348.834 2.374 20 30 EEEDLO C=C(C)C[NH+]1CC([C@@H](C)NC(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC000969813255 675222804 /nfs/dbraw/zinc/22/28/04/675222804.db2.gz NPAYGTHGHMWOBL-CYBMUJFWSA-N 1 2 325.416 2.098 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CC2(C)C)cc1C#N ZINC001038176158 675488426 /nfs/dbraw/zinc/48/84/26/675488426.db2.gz WBRLJIFHKOJBHW-JKSUJKDBSA-N 1 2 327.428 2.303 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CC2(C)C)cc1C#N ZINC001038176158 675488427 /nfs/dbraw/zinc/48/84/27/675488427.db2.gz WBRLJIFHKOJBHW-JKSUJKDBSA-N 1 2 327.428 2.303 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnc3cnccc3c2)C1 ZINC000970162647 675603688 /nfs/dbraw/zinc/60/36/88/675603688.db2.gz VEUBZKXONVCKOG-LBPRGKRZSA-N 1 2 330.819 2.432 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC000970236889 675732919 /nfs/dbraw/zinc/73/29/19/675732919.db2.gz JBPJSEVNXGIFBP-DOMZBBRYSA-N 1 2 347.846 2.301 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](Cc3cc4n(n3)CCC4)C2)cc1 ZINC000970257242 675750609 /nfs/dbraw/zinc/75/06/09/675750609.db2.gz VOYSJQFNIBCHQU-HNNXBMFYSA-N 1 2 348.450 2.061 20 30 EEEDLO C=C1CCC(C(=O)N[C@H](C)C2C[NH+](Cc3cnc(C)cn3)C2)CC1 ZINC000970377993 675831223 /nfs/dbraw/zinc/83/12/23/675831223.db2.gz UTISPEVDDBYWDA-OAHLLOKOSA-N 1 2 328.460 2.468 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H]4CN(CC#N)CC[C@H]43)ccn12 ZINC001021586586 676240716 /nfs/dbraw/zinc/24/07/16/676240716.db2.gz CNQVBYXYQYQUDU-IAGOWNOFSA-N 1 2 337.427 2.093 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2noc3c2CC(C)(C)CC3)C1 ZINC000971212430 676443557 /nfs/dbraw/zinc/44/35/57/676443557.db2.gz YWBRSHCBOJYVJB-KBPBESRZSA-N 1 2 344.459 2.382 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2noc3c2CC(C)(C)CC3)C1 ZINC000971212430 676443558 /nfs/dbraw/zinc/44/35/58/676443558.db2.gz YWBRSHCBOJYVJB-KBPBESRZSA-N 1 2 344.459 2.382 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCCCO2)C1 ZINC000971314528 676481759 /nfs/dbraw/zinc/48/17/59/676481759.db2.gz KRKMHJPICIXSPW-UONOGXRCSA-N 1 2 345.281 2.387 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCCCO2)C1 ZINC000971314528 676481760 /nfs/dbraw/zinc/48/17/60/676481760.db2.gz KRKMHJPICIXSPW-UONOGXRCSA-N 1 2 345.281 2.387 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+](C)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC000971364507 676503874 /nfs/dbraw/zinc/50/38/74/676503874.db2.gz ZSEJBHKULSZYHK-GXTWGEPZSA-N 1 2 327.388 2.090 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC000971364507 676503877 /nfs/dbraw/zinc/50/38/77/676503877.db2.gz ZSEJBHKULSZYHK-GXTWGEPZSA-N 1 2 327.388 2.090 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2[nH]ccc2C)C1 ZINC000971444418 676556952 /nfs/dbraw/zinc/55/69/52/676556952.db2.gz AXRCPJKOJAQXAE-LBPRGKRZSA-N 1 2 326.238 2.378 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2[nH]ccc2C)C1 ZINC000971444418 676556954 /nfs/dbraw/zinc/55/69/54/676556954.db2.gz AXRCPJKOJAQXAE-LBPRGKRZSA-N 1 2 326.238 2.378 20 30 EEEDLO C[N@H+](Cc1cc(-c2ccco2)on1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971508496 676604971 /nfs/dbraw/zinc/60/49/71/676604971.db2.gz NLSMFRIDCBYEOD-INIZCTEOSA-N 1 2 339.395 2.381 20 30 EEEDLO C[N@@H+](Cc1cc(-c2ccco2)on1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971508496 676604972 /nfs/dbraw/zinc/60/49/72/676604972.db2.gz NLSMFRIDCBYEOD-INIZCTEOSA-N 1 2 339.395 2.381 20 30 EEEDLO Cc1cc(C#N)ccc1N1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000891661702 676760452 /nfs/dbraw/zinc/76/04/52/676760452.db2.gz VDNDWALMDGYICU-IBGZPJMESA-N 1 2 334.423 2.215 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4scnc43)C2)C1 ZINC000972380746 678631105 /nfs/dbraw/zinc/63/11/05/678631105.db2.gz JTAVZLFKLOUYQA-SFHVURJKSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4scnc43)C2)C1 ZINC000972380746 678631108 /nfs/dbraw/zinc/63/11/08/678631108.db2.gz JTAVZLFKLOUYQA-SFHVURJKSA-N 1 2 343.452 2.399 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc(C)c3F)C2)C1 ZINC000972391182 678669350 /nfs/dbraw/zinc/66/93/50/678669350.db2.gz LSOKBSKJWFAGTD-LJQANCHMSA-N 1 2 330.403 2.074 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc(C)c3F)C2)C1 ZINC000972391182 678669352 /nfs/dbraw/zinc/66/93/52/678669352.db2.gz LSOKBSKJWFAGTD-LJQANCHMSA-N 1 2 330.403 2.074 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(F)c(C)cc3F)C2)C1 ZINC000972420402 678716998 /nfs/dbraw/zinc/71/69/98/678716998.db2.gz UPTBFXFGXNYWPD-LJQANCHMSA-N 1 2 348.393 2.213 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(F)c(C)cc3F)C2)C1 ZINC000972420402 678717000 /nfs/dbraw/zinc/71/70/00/678717000.db2.gz UPTBFXFGXNYWPD-LJQANCHMSA-N 1 2 348.393 2.213 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(C)CCC(F)(F)CC3)C2)C1 ZINC000972439550 678743050 /nfs/dbraw/zinc/74/30/50/678743050.db2.gz WJBOQKDIRCNGOX-QGZVFWFLSA-N 1 2 340.414 2.139 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(C)CCC(F)(F)CC3)C2)C1 ZINC000972439550 678743053 /nfs/dbraw/zinc/74/30/53/678743053.db2.gz WJBOQKDIRCNGOX-QGZVFWFLSA-N 1 2 340.414 2.139 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC(C)(C)CO3)C2)C1 ZINC000972470588 678816662 /nfs/dbraw/zinc/81/66/62/678816662.db2.gz FNFDMKRNQFMGFL-APWZRJJASA-N 1 2 336.476 2.071 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC(C)(C)CO3)C2)C1 ZINC000972470588 678816665 /nfs/dbraw/zinc/81/66/65/678816665.db2.gz FNFDMKRNQFMGFL-APWZRJJASA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001067440269 678897372 /nfs/dbraw/zinc/89/73/72/678897372.db2.gz KFPYNTBXRHTYSY-GDBMZVCRSA-N 1 2 339.443 2.417 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@H+](C[C@H](F)CC)CCO3)cc1 ZINC000972493414 678911259 /nfs/dbraw/zinc/91/12/59/678911259.db2.gz YGZLOSUMOGAXSH-UYAOXDASSA-N 1 2 344.430 2.333 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@@H+](C[C@H](F)CC)CCO3)cc1 ZINC000972493414 678911260 /nfs/dbraw/zinc/91/12/60/678911260.db2.gz YGZLOSUMOGAXSH-UYAOXDASSA-N 1 2 344.430 2.333 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCCC3(F)F)C2)C1 ZINC000972516642 679136746 /nfs/dbraw/zinc/13/67/46/679136746.db2.gz BAQRLNONNJSPOU-ZBFHGGJFSA-N 1 2 328.403 2.301 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCCC3(F)F)C2)C1 ZINC000972516642 679136749 /nfs/dbraw/zinc/13/67/49/679136749.db2.gz BAQRLNONNJSPOU-ZBFHGGJFSA-N 1 2 328.403 2.301 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cc(C)ccc3C)C2)C1 ZINC000972528221 679177981 /nfs/dbraw/zinc/17/79/81/679177981.db2.gz KHCIAGXUMRNYHC-NRFANRHFSA-N 1 2 340.467 2.173 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cc(C)ccc3C)C2)C1 ZINC000972528221 679177983 /nfs/dbraw/zinc/17/79/83/679177983.db2.gz KHCIAGXUMRNYHC-NRFANRHFSA-N 1 2 340.467 2.173 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3[C@@H]4CCCCCC[C@@H]43)C2)C1 ZINC000972572263 679327927 /nfs/dbraw/zinc/32/79/27/679327927.db2.gz PDUOFAQNCFXIJY-XFKSJGNHSA-N 1 2 330.472 2.139 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3[C@@H]4CCCCCC[C@@H]43)C2)C1 ZINC000972572263 679327928 /nfs/dbraw/zinc/32/79/28/679327928.db2.gz PDUOFAQNCFXIJY-XFKSJGNHSA-N 1 2 330.472 2.139 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3nnc(C)o3)C2)cc1 ZINC001023526917 679358795 /nfs/dbraw/zinc/35/87/95/679358795.db2.gz LWSAUWWRPNRARA-MRXNPFEDSA-N 1 2 338.411 2.001 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3nnc(C)o3)C2)cc1 ZINC001023526917 679358796 /nfs/dbraw/zinc/35/87/96/679358796.db2.gz LWSAUWWRPNRARA-MRXNPFEDSA-N 1 2 338.411 2.001 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)C[C@@H]3c3ccccc3)C2)C1 ZINC000972589953 679372834 /nfs/dbraw/zinc/37/28/34/679372834.db2.gz MGIXAUDSYFSPME-GIVPXCGWSA-N 1 2 338.451 2.117 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)C[C@@H]3c3ccccc3)C2)C1 ZINC000972589953 679372836 /nfs/dbraw/zinc/37/28/36/679372836.db2.gz MGIXAUDSYFSPME-GIVPXCGWSA-N 1 2 338.451 2.117 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccccc3F)C2)C1 ZINC000972601807 679407800 /nfs/dbraw/zinc/40/78/00/679407800.db2.gz KRJFLTNDKXQAQN-JXFKEZNVSA-N 1 2 344.430 2.256 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccccc3F)C2)C1 ZINC000972601807 679407801 /nfs/dbraw/zinc/40/78/01/679407801.db2.gz KRJFLTNDKXQAQN-JXFKEZNVSA-N 1 2 344.430 2.256 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn([C@@H](C)CC)c3C)C2)C1 ZINC000972629649 679458934 /nfs/dbraw/zinc/45/89/34/679458934.db2.gz BWQKXTSKUORYLZ-HNAYVOBHSA-N 1 2 346.475 2.265 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn([C@@H](C)CC)c3C)C2)C1 ZINC000972629649 679458935 /nfs/dbraw/zinc/45/89/35/679458935.db2.gz BWQKXTSKUORYLZ-HNAYVOBHSA-N 1 2 346.475 2.265 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)ccc3C)C2)C1 ZINC000972654918 679517616 /nfs/dbraw/zinc/51/76/16/679517616.db2.gz XLGCYXNSQSRUCZ-FQEVSTJZSA-N 1 2 326.440 2.244 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)ccc3C)C2)C1 ZINC000972654918 679517619 /nfs/dbraw/zinc/51/76/19/679517619.db2.gz XLGCYXNSQSRUCZ-FQEVSTJZSA-N 1 2 326.440 2.244 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2oncc2C)C1 ZINC000972658482 679522387 /nfs/dbraw/zinc/52/23/87/679522387.db2.gz BTWIKEMRCLJGKM-LLVKDONJSA-N 1 2 328.210 2.038 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2oncc2C)C1 ZINC000972658482 679522389 /nfs/dbraw/zinc/52/23/89/679522389.db2.gz BTWIKEMRCLJGKM-LLVKDONJSA-N 1 2 328.210 2.038 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CC(C(C)(C)C)C3)C2)C1 ZINC000972693342 679617115 /nfs/dbraw/zinc/61/71/15/679617115.db2.gz ZSRQFPNLNCZALP-UHYCVJNDSA-N 1 2 332.488 2.385 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CC(C(C)(C)C)C3)C2)C1 ZINC000972693342 679617117 /nfs/dbraw/zinc/61/71/17/679617117.db2.gz ZSRQFPNLNCZALP-UHYCVJNDSA-N 1 2 332.488 2.385 20 30 EEEDLO O=C(NC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1)c1ncccc1O ZINC001024407482 679891922 /nfs/dbraw/zinc/89/19/22/679891922.db2.gz NZRBZEWCVKJRMM-GOSISDBHSA-N 1 2 349.434 2.423 20 30 EEEDLO O=C(NC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1)c1ncccc1O ZINC001024407482 679891923 /nfs/dbraw/zinc/89/19/23/679891923.db2.gz NZRBZEWCVKJRMM-GOSISDBHSA-N 1 2 349.434 2.423 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnn(C)c1Cl ZINC001024510214 680005600 /nfs/dbraw/zinc/00/56/00/680005600.db2.gz HHQXRHGXAPTEIY-LLVKDONJSA-N 1 2 331.247 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn(C)c1Cl ZINC001024510214 680005605 /nfs/dbraw/zinc/00/56/05/680005605.db2.gz HHQXRHGXAPTEIY-LLVKDONJSA-N 1 2 331.247 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCn3nccc32)C(C)(C)C1 ZINC000974740603 685382742 /nfs/dbraw/zinc/38/27/42/685382742.db2.gz GPQKAINVBRMCHE-DZGCQCFKSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCn3nccc32)C(C)(C)C1 ZINC000974740603 685382748 /nfs/dbraw/zinc/38/27/48/685382748.db2.gz GPQKAINVBRMCHE-DZGCQCFKSA-N 1 2 336.867 2.340 20 30 EEEDLO C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC001024557133 681185342 /nfs/dbraw/zinc/18/53/42/681185342.db2.gz MHSCEFDNNGYKNM-GFCCVEGCSA-N 1 2 342.365 2.345 20 30 EEEDLO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC001024557133 681185349 /nfs/dbraw/zinc/18/53/49/681185349.db2.gz MHSCEFDNNGYKNM-GFCCVEGCSA-N 1 2 342.365 2.345 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@@H+]([C@@H](C)c2csnn2)C1 ZINC001028594053 681263033 /nfs/dbraw/zinc/26/30/33/681263033.db2.gz ZWDSRGZMCOIWFZ-KBPBESRZSA-N 1 2 345.472 2.339 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+]([C@@H](C)c2csnn2)C1 ZINC001028594053 681263038 /nfs/dbraw/zinc/26/30/38/681263038.db2.gz ZWDSRGZMCOIWFZ-KBPBESRZSA-N 1 2 345.472 2.339 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001024618837 681286535 /nfs/dbraw/zinc/28/65/35/681286535.db2.gz YGARBLYYEREHBT-GJZGRUSLSA-N 1 2 341.883 2.109 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001024618837 681286540 /nfs/dbraw/zinc/28/65/40/681286540.db2.gz YGARBLYYEREHBT-GJZGRUSLSA-N 1 2 341.883 2.109 20 30 EEEDLO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cnc([C@@H]2CCCO2)s1 ZINC001024696823 681354914 /nfs/dbraw/zinc/35/49/14/681354914.db2.gz MBIODCCKFORCIP-KBPBESRZSA-N 1 2 333.457 2.212 20 30 EEEDLO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnc([C@@H]2CCCO2)s1 ZINC001024696823 681354917 /nfs/dbraw/zinc/35/49/17/681354917.db2.gz MBIODCCKFORCIP-KBPBESRZSA-N 1 2 333.457 2.212 20 30 EEEDLO COc1c(C)c[nH+]c(CNC(=O)NCC#C[C@@H]2CCCCO2)c1C ZINC000892517071 681497688 /nfs/dbraw/zinc/49/76/88/681497688.db2.gz AFQOLSCRQYWHNY-HNNXBMFYSA-N 1 2 331.416 2.079 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001025069590 681961122 /nfs/dbraw/zinc/96/11/22/681961122.db2.gz LYJDELHDMIPLIF-RDTXWAMCSA-N 1 2 349.479 2.209 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1cocn1 ZINC001006937534 681995507 /nfs/dbraw/zinc/99/55/07/681995507.db2.gz GMUBBBKUQCGCLD-INIZCTEOSA-N 1 2 327.359 2.060 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)c1cocn1 ZINC001006937534 681995511 /nfs/dbraw/zinc/99/55/11/681995511.db2.gz GMUBBBKUQCGCLD-INIZCTEOSA-N 1 2 327.359 2.060 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1cocn1 ZINC001006937536 681995743 /nfs/dbraw/zinc/99/57/43/681995743.db2.gz GMUBBBKUQCGCLD-MRXNPFEDSA-N 1 2 327.359 2.060 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)c1cocn1 ZINC001006937536 681995748 /nfs/dbraw/zinc/99/57/48/681995748.db2.gz GMUBBBKUQCGCLD-MRXNPFEDSA-N 1 2 327.359 2.060 20 30 EEEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H](Nc2cccc(F)c2C#N)C1 ZINC001059127524 682428393 /nfs/dbraw/zinc/42/83/93/682428393.db2.gz MLYFSBAZTNOFOU-ZDUSSCGKSA-N 1 2 341.390 2.076 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C/C(Cl)=C/Cl)C2)cn1 ZINC001028941183 682521370 /nfs/dbraw/zinc/52/13/70/682521370.db2.gz URFLOKGBPFAMQY-OBTCNRAFSA-N 1 2 338.238 2.434 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C/C(Cl)=C/Cl)C2)cn1 ZINC001028941183 682521373 /nfs/dbraw/zinc/52/13/73/682521373.db2.gz URFLOKGBPFAMQY-OBTCNRAFSA-N 1 2 338.238 2.434 20 30 EEEDLO CC(F)(F)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001006565018 682664924 /nfs/dbraw/zinc/66/49/24/682664924.db2.gz DPFCROMMFUGMQJ-CYBMUJFWSA-N 1 2 325.334 2.433 20 30 EEEDLO CC(F)(F)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001006565018 682664927 /nfs/dbraw/zinc/66/49/27/682664927.db2.gz DPFCROMMFUGMQJ-CYBMUJFWSA-N 1 2 325.334 2.433 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc(Cl)n(C)n2)C(C)(C)C1 ZINC000974825897 685588221 /nfs/dbraw/zinc/58/82/21/685588221.db2.gz VVYCKVTUQLAXGS-NSHDSACASA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc(Cl)n(C)n2)C(C)(C)C1 ZINC000974825897 685588222 /nfs/dbraw/zinc/58/82/22/685588222.db2.gz VVYCKVTUQLAXGS-NSHDSACASA-N 1 2 331.247 2.266 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000983643979 683038951 /nfs/dbraw/zinc/03/89/51/683038951.db2.gz GIPWJUCFFDRNNB-IRXDYDNUSA-N 1 2 344.459 2.173 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000983700396 683141161 /nfs/dbraw/zinc/14/11/61/683141161.db2.gz WZMDVVBJECJIQT-HOTGVXAUSA-N 1 2 344.459 2.242 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001025833003 683345162 /nfs/dbraw/zinc/34/51/62/683345162.db2.gz FJLCNGVSLPLZLV-MBIARJLFSA-N 1 2 339.277 2.378 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001025833003 683345170 /nfs/dbraw/zinc/34/51/70/683345170.db2.gz FJLCNGVSLPLZLV-MBIARJLFSA-N 1 2 339.277 2.378 20 30 EEEDLO O=C(C[C@H]1CCCO1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029223567 683577193 /nfs/dbraw/zinc/57/71/93/683577193.db2.gz DWVWQZUAYCNYGN-HSALFYBXSA-N 1 2 338.451 2.282 20 30 EEEDLO O=C(C[C@H]1CCCO1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029223567 683577195 /nfs/dbraw/zinc/57/71/95/683577195.db2.gz DWVWQZUAYCNYGN-HSALFYBXSA-N 1 2 338.451 2.282 20 30 EEEDLO Cc1ncoc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001029258145 683715438 /nfs/dbraw/zinc/71/54/38/683715438.db2.gz GKCYHGSVEPGWFT-CALCHBBNSA-N 1 2 336.395 2.344 20 30 EEEDLO Cc1ncoc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001029258145 683715441 /nfs/dbraw/zinc/71/54/41/683715441.db2.gz GKCYHGSVEPGWFT-CALCHBBNSA-N 1 2 336.395 2.344 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]1CCn1cc(Cl)cn1 ZINC001038345624 683740360 /nfs/dbraw/zinc/74/03/60/683740360.db2.gz QJFYXJFUGCCNRO-OAHLLOKOSA-N 1 2 347.850 2.028 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]1CCn1cc(Cl)cn1 ZINC001038345624 683740364 /nfs/dbraw/zinc/74/03/64/683740364.db2.gz QJFYXJFUGCCNRO-OAHLLOKOSA-N 1 2 347.850 2.028 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cnns2)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000993077321 683886356 /nfs/dbraw/zinc/88/63/56/683886356.db2.gz HTAQFUXOEUEFDY-WFASDCNBSA-N 1 2 341.440 2.193 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cnns2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000993077321 683886364 /nfs/dbraw/zinc/88/63/64/683886364.db2.gz HTAQFUXOEUEFDY-WFASDCNBSA-N 1 2 341.440 2.193 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)[C@H]2C)[nH]n1 ZINC000993083312 683896858 /nfs/dbraw/zinc/89/68/58/683896858.db2.gz DHHNGEXDOGYIQV-WMLDXEAASA-N 1 2 337.427 2.373 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)[C@H]2C)[nH]n1 ZINC000993083312 683896863 /nfs/dbraw/zinc/89/68/63/683896863.db2.gz DHHNGEXDOGYIQV-WMLDXEAASA-N 1 2 337.427 2.373 20 30 EEEDLO COc1cccc(-c2csc(C[NH2+][C@H]3CCCN(O)C3=O)n2)c1 ZINC000895198270 684279354 /nfs/dbraw/zinc/27/93/54/684279354.db2.gz ZQRVMTMMOBDWMT-ZDUSSCGKSA-N 1 2 333.413 2.289 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000895463828 684610313 /nfs/dbraw/zinc/61/03/13/684610313.db2.gz FNUVESOGPHZQFE-FQEVSTJZSA-N 1 2 334.419 2.299 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000895463828 684610316 /nfs/dbraw/zinc/61/03/16/684610316.db2.gz FNUVESOGPHZQFE-FQEVSTJZSA-N 1 2 334.419 2.299 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2F)C[C@H]1C ZINC000947698652 684974691 /nfs/dbraw/zinc/97/46/91/684974691.db2.gz QOSGDQQMMXYSNP-ZJUUUORDSA-N 1 2 345.216 2.040 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2F)C[C@H]1C ZINC000947698652 684974694 /nfs/dbraw/zinc/97/46/94/684974694.db2.gz QOSGDQQMMXYSNP-ZJUUUORDSA-N 1 2 345.216 2.040 20 30 EEEDLO C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029528477 685711913 /nfs/dbraw/zinc/71/19/13/685711913.db2.gz WDOUOLHOCRCWLS-WQANXHIZSA-N 1 2 339.439 2.158 20 30 EEEDLO C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029528477 685711920 /nfs/dbraw/zinc/71/19/20/685711920.db2.gz WDOUOLHOCRCWLS-WQANXHIZSA-N 1 2 339.439 2.158 20 30 EEEDLO C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)CCOC1 ZINC001029529801 685734486 /nfs/dbraw/zinc/73/44/86/685734486.db2.gz MMJPWMMYBSLGRW-ZVDOUQERSA-N 1 2 338.451 2.140 20 30 EEEDLO C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)CCOC1 ZINC001029529801 685734488 /nfs/dbraw/zinc/73/44/88/685734488.db2.gz MMJPWMMYBSLGRW-ZVDOUQERSA-N 1 2 338.451 2.140 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](Cc3cncc(OC)n3)CC2(C)C)C1 ZINC000975023908 686036029 /nfs/dbraw/zinc/03/60/29/686036029.db2.gz DVJVNUFESSXBTK-HNNXBMFYSA-N 1 2 344.459 2.168 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](Cc3cncc(OC)n3)CC2(C)C)C1 ZINC000975023908 686036033 /nfs/dbraw/zinc/03/60/33/686036033.db2.gz DVJVNUFESSXBTK-HNNXBMFYSA-N 1 2 344.459 2.168 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2csc(C)n2)CC1(C)C ZINC000975054476 686085805 /nfs/dbraw/zinc/08/58/05/686085805.db2.gz HZIGMMJEGHPHLJ-PMPSAXMXSA-N 1 2 349.500 2.369 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2csc(C)n2)CC1(C)C ZINC000975054476 686085807 /nfs/dbraw/zinc/08/58/07/686085807.db2.gz HZIGMMJEGHPHLJ-PMPSAXMXSA-N 1 2 349.500 2.369 20 30 EEEDLO C=C(Br)C[N@@H+](C)C1CCN(C(=O)C(=O)C(C)(C)C)CC1 ZINC000985340315 686363246 /nfs/dbraw/zinc/36/32/46/686363246.db2.gz LGYLNSOPSQIKAM-UHFFFAOYSA-N 1 2 345.281 2.433 20 30 EEEDLO C=C(Br)C[N@H+](C)C1CCN(C(=O)C(=O)C(C)(C)C)CC1 ZINC000985340315 686363251 /nfs/dbraw/zinc/36/32/51/686363251.db2.gz LGYLNSOPSQIKAM-UHFFFAOYSA-N 1 2 345.281 2.433 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059561106 687107833 /nfs/dbraw/zinc/10/78/33/687107833.db2.gz UMYWXLGPMCGKNO-OAHLLOKOSA-N 1 2 346.475 2.299 20 30 EEEDLO Cc1cnc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)s1 ZINC001027375636 687786116 /nfs/dbraw/zinc/78/61/16/687786116.db2.gz WGLGFACYCOXKDI-HNNXBMFYSA-N 1 2 343.456 2.388 20 30 EEEDLO Cc1cnc(C[N@H+](C)[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)s1 ZINC001027375636 687786117 /nfs/dbraw/zinc/78/61/17/687786117.db2.gz WGLGFACYCOXKDI-HNNXBMFYSA-N 1 2 343.456 2.388 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000125452172 687829211 /nfs/dbraw/zinc/82/92/11/687829211.db2.gz ZJYAWSOSYUTQAH-LBPRGKRZSA-N 1 2 347.440 2.465 20 30 EEEDLO C[C@H](c1csnn1)[N@H+](C)CC1CCN(C(=O)C#CC2CC2)CC1 ZINC001029965273 688719715 /nfs/dbraw/zinc/71/97/15/688719715.db2.gz SGQFCCBISRFXHT-CYBMUJFWSA-N 1 2 332.473 2.183 20 30 EEEDLO C[C@H](c1csnn1)[N@@H+](C)CC1CCN(C(=O)C#CC2CC2)CC1 ZINC001029965273 688719716 /nfs/dbraw/zinc/71/97/16/688719716.db2.gz SGQFCCBISRFXHT-CYBMUJFWSA-N 1 2 332.473 2.183 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001060175811 694247933 /nfs/dbraw/zinc/24/79/33/694247933.db2.gz QKBGRQBZKDMGDM-CVEARBPZSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059747604 689011454 /nfs/dbraw/zinc/01/14/54/689011454.db2.gz MXMIYNJFTKYCAY-OAHLLOKOSA-N 1 2 332.448 2.053 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059747604 689011458 /nfs/dbraw/zinc/01/14/58/689011458.db2.gz MXMIYNJFTKYCAY-OAHLLOKOSA-N 1 2 332.448 2.053 20 30 EEEDLO C[C@H]1C[C@@H]([NH2+]Cc2nc(C3CCCC3)no2)CN1C(=O)C#CC1CC1 ZINC000988807725 691226790 /nfs/dbraw/zinc/22/67/90/691226790.db2.gz YQFCXYOBAUZAPM-XJKSGUPXSA-N 1 2 342.443 2.220 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc(C(F)(F)F)[nH]n2)C1 ZINC000989557438 692036476 /nfs/dbraw/zinc/03/64/76/692036476.db2.gz GYCYENNLZWDVFF-IUCAKERBSA-N 1 2 336.745 2.374 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000989638805 692112981 /nfs/dbraw/zinc/11/29/81/692112981.db2.gz OTJJHOHWITYWRY-SWLSCSKDSA-N 1 2 345.834 2.417 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@@H+](C)Cc3cn(CC)nn3)C2)CC1 ZINC001027559239 692994565 /nfs/dbraw/zinc/99/45/65/692994565.db2.gz REKCIMOKFXLZGH-SFHVURJKSA-N 1 2 345.491 2.467 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@H]([N@H+](C)Cc3cn(CC)nn3)C2)CC1 ZINC001027559239 692994567 /nfs/dbraw/zinc/99/45/67/692994567.db2.gz REKCIMOKFXLZGH-SFHVURJKSA-N 1 2 345.491 2.467 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000905250332 694579314 /nfs/dbraw/zinc/57/93/14/694579314.db2.gz SUSVSBSDUVLBSM-OALUTQOASA-N 1 2 339.439 2.184 20 30 EEEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)ccn1 ZINC001032063998 1192053059 /nfs/dbraw/zinc/05/30/59/1192053059.db2.gz ZPKJXGNAPVDGJZ-UHFFFAOYSA-N 1 2 338.386 2.263 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000943386014 1192239054 /nfs/dbraw/zinc/23/90/54/1192239054.db2.gz XJKNJZDGUJKKDW-KXBFYZLASA-N 1 2 346.475 2.062 20 30 EEEDLO CC(C)n1nccc1C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001480870051 1176359174 /nfs/dbraw/zinc/35/91/74/1176359174.db2.gz YOYOTKGXFZWCNZ-UHFFFAOYSA-N 1 2 343.406 2.337 20 30 EEEDLO CC(C)n1nccc1C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001480870051 1176359184 /nfs/dbraw/zinc/35/91/84/1176359184.db2.gz YOYOTKGXFZWCNZ-UHFFFAOYSA-N 1 2 343.406 2.337 20 30 EEEDLO COc1ccccc1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032143772 1192773146 /nfs/dbraw/zinc/77/31/46/1192773146.db2.gz GESAZODFVKASEK-UHFFFAOYSA-N 1 2 335.407 2.429 20 30 EEEDLO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1cccnc1)Cc1ccccc1C#N ZINC001480915211 1178160951 /nfs/dbraw/zinc/16/09/51/1178160951.db2.gz QZSFDAISIIRGFL-RBUKOAKNSA-N 1 2 334.423 2.305 20 30 EEEDLO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1cccnc1)Cc1ccccc1C#N ZINC001480915211 1178160953 /nfs/dbraw/zinc/16/09/53/1178160953.db2.gz QZSFDAISIIRGFL-RBUKOAKNSA-N 1 2 334.423 2.305 20 30 EEEDLO C=C(C)CCC(=O)N(C)C1CC[NH+](Cc2cc(=O)c(OC)co2)CC1 ZINC001752302061 1179635976 /nfs/dbraw/zinc/63/59/76/1179635976.db2.gz XUQNUSUBTJLAKD-UHFFFAOYSA-N 1 2 348.443 2.428 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc(-n2ccnn2)cc1)C1CC1 ZINC001481194776 1180061164 /nfs/dbraw/zinc/06/11/64/1180061164.db2.gz UIXBDCVICSDPAR-UHFFFAOYSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc(-n2ccnn2)cc1)C1CC1 ZINC001481194776 1180061171 /nfs/dbraw/zinc/06/11/71/1180061171.db2.gz UIXBDCVICSDPAR-UHFFFAOYSA-N 1 2 345.834 2.214 20 30 EEEDLO C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2noc(C3CCC3)n2)CCCC1 ZINC001481892561 1182891204 /nfs/dbraw/zinc/89/12/04/1182891204.db2.gz VGDBOFPOCQMCNC-LBPRGKRZSA-N 1 2 331.420 2.015 20 30 EEEDLO O=C(C[C@H]1CCOC1)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001268814362 1183730716 /nfs/dbraw/zinc/73/07/16/1183730716.db2.gz ZZYAYMZDQPVEKF-MRXNPFEDSA-N 1 2 346.858 2.166 20 30 EEEDLO C=C(C(=O)N1CC2(C1)CC[N@@H+](Cc1nccn1CC)C2)C(F)(F)F ZINC001269004982 1183894401 /nfs/dbraw/zinc/89/44/01/1183894401.db2.gz WJGJZWVRNKQSTN-UHFFFAOYSA-N 1 2 342.365 2.056 20 30 EEEDLO C=C(C(=O)N1CC2(C1)CC[N@H+](Cc1nccn1CC)C2)C(F)(F)F ZINC001269004982 1183894403 /nfs/dbraw/zinc/89/44/03/1183894403.db2.gz WJGJZWVRNKQSTN-UHFFFAOYSA-N 1 2 342.365 2.056 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001034118017 1195801465 /nfs/dbraw/zinc/80/14/65/1195801465.db2.gz SBWPDTGTEZTAIQ-GFCCVEGCSA-N 1 2 341.253 2.211 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001034118017 1195801469 /nfs/dbraw/zinc/80/14/69/1195801469.db2.gz SBWPDTGTEZTAIQ-GFCCVEGCSA-N 1 2 341.253 2.211 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC000944997477 1193317223 /nfs/dbraw/zinc/31/72/23/1193317223.db2.gz FGXCAVOFGIQMOR-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC000944997477 1193317225 /nfs/dbraw/zinc/31/72/25/1193317225.db2.gz FGXCAVOFGIQMOR-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2nc(C)cc2C(F)F)[C@H]1C ZINC001088591491 1187559423 /nfs/dbraw/zinc/55/94/23/1187559423.db2.gz IUMDZDBBINNAQV-NEPJUHHUSA-N 1 2 346.809 2.461 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)cc2C(F)F)[C@H]1C ZINC001088591491 1187559427 /nfs/dbraw/zinc/55/94/27/1187559427.db2.gz IUMDZDBBINNAQV-NEPJUHHUSA-N 1 2 346.809 2.461 20 30 EEEDLO Cc1ccc(C#N)c(N(C)CCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)n1 ZINC001105595983 1188228148 /nfs/dbraw/zinc/22/81/48/1188228148.db2.gz UNGXXWQKOCLEHE-UHFFFAOYSA-N 1 2 348.410 2.346 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001105651078 1188367642 /nfs/dbraw/zinc/36/76/42/1188367642.db2.gz IXFFXZCSNLTMBH-JKSUJKDBSA-N 1 2 332.448 2.465 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)nc1)C2 ZINC001272875364 1193588322 /nfs/dbraw/zinc/58/83/22/1193588322.db2.gz PMMXCHALEVOHAW-SFHVURJKSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)nc1)C2 ZINC001272875364 1193588324 /nfs/dbraw/zinc/58/83/24/1193588324.db2.gz PMMXCHALEVOHAW-SFHVURJKSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4n[nH]c(C)c4c3)[C@@H]2C1 ZINC001076573699 1189000861 /nfs/dbraw/zinc/00/08/61/1189000861.db2.gz WBLUIBOEPJIPMR-SWLSCSKDSA-N 1 2 345.834 2.165 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4n[nH]c(C)c4c3)[C@@H]2C1 ZINC001076573699 1189000866 /nfs/dbraw/zinc/00/08/66/1189000866.db2.gz WBLUIBOEPJIPMR-SWLSCSKDSA-N 1 2 345.834 2.165 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001105688838 1189336137 /nfs/dbraw/zinc/33/61/37/1189336137.db2.gz IHLWQKYDAZDJLZ-KBPBESRZSA-N 1 2 346.479 2.155 20 30 EEEDLO C[C@H](CN(C)C(=O)c1cccc2nn[nH]c21)[NH2+]Cc1ccccc1C#N ZINC001485877184 1193627929 /nfs/dbraw/zinc/62/79/29/1193627929.db2.gz MBKUZZMUESRBKL-CYBMUJFWSA-N 1 2 348.410 2.080 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1c(C)nn(CC)c1C ZINC001483411449 1190457430 /nfs/dbraw/zinc/45/74/30/1190457430.db2.gz VTYJLBJWAWSMOS-GFCCVEGCSA-N 1 2 326.872 2.251 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1c(C)nn(CC)c1C ZINC001483411449 1190457432 /nfs/dbraw/zinc/45/74/32/1190457432.db2.gz VTYJLBJWAWSMOS-GFCCVEGCSA-N 1 2 326.872 2.251 20 30 EEEDLO Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C#N)n(C)c2)n1 ZINC001272294449 1190748799 /nfs/dbraw/zinc/74/87/99/1190748799.db2.gz PNJIECFCWWGQEE-CALCHBBNSA-N 1 2 349.438 2.089 20 30 EEEDLO Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C#N)n(C)c2)n1 ZINC001272294449 1190748801 /nfs/dbraw/zinc/74/88/01/1190748801.db2.gz PNJIECFCWWGQEE-CALCHBBNSA-N 1 2 349.438 2.089 20 30 EEEDLO CC(C)CN1C[C@]2(CC[N@H+](Cc3ccc(F)cc3C#N)C2)OCC1=O ZINC001272387784 1190797372 /nfs/dbraw/zinc/79/73/72/1190797372.db2.gz CKBMONBEVPFXMG-LJQANCHMSA-N 1 2 345.418 2.157 20 30 EEEDLO CC(C)CN1C[C@]2(CC[N@@H+](Cc3ccc(F)cc3C#N)C2)OCC1=O ZINC001272387784 1190797375 /nfs/dbraw/zinc/79/73/75/1190797375.db2.gz CKBMONBEVPFXMG-LJQANCHMSA-N 1 2 345.418 2.157 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)COc2ccc(OC)cc2)C1 ZINC001484070746 1191191436 /nfs/dbraw/zinc/19/14/36/1191191436.db2.gz IUBRTLISTWUCPQ-QGZVFWFLSA-N 1 2 338.835 2.407 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)COc2ccc(OC)cc2)C1 ZINC001484070746 1191191437 /nfs/dbraw/zinc/19/14/37/1191191437.db2.gz IUBRTLISTWUCPQ-QGZVFWFLSA-N 1 2 338.835 2.407 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CCCOC(C)C)c2C1 ZINC001128598633 1194455933 /nfs/dbraw/zinc/45/59/33/1194455933.db2.gz HILMCNSTFZEBQQ-UHFFFAOYSA-N 1 2 334.464 2.096 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CCCOC(C)C)c2C1 ZINC001128598633 1194455935 /nfs/dbraw/zinc/45/59/35/1194455935.db2.gz HILMCNSTFZEBQQ-UHFFFAOYSA-N 1 2 334.464 2.096 20 30 EEEDLO Cc1c[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001033495257 1194647593 /nfs/dbraw/zinc/64/75/93/1194647593.db2.gz RONRYOUFAURGRP-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1c[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001033495257 1194647595 /nfs/dbraw/zinc/64/75/95/1194647595.db2.gz RONRYOUFAURGRP-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c3c2C[C@@H](C)CC3)C1 ZINC001033538909 1194708569 /nfs/dbraw/zinc/70/85/69/1194708569.db2.gz XIMFDLKOXHYZIC-WCQYABFASA-N 1 2 336.867 2.433 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c3c2C[C@@H](C)CC3)C1 ZINC001033538909 1194708570 /nfs/dbraw/zinc/70/85/70/1194708570.db2.gz XIMFDLKOXHYZIC-WCQYABFASA-N 1 2 336.867 2.433 20 30 EEEDLO Cc1conc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033563183 1194734251 /nfs/dbraw/zinc/73/42/51/1194734251.db2.gz OABDQIYKUBITJZ-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1conc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033563183 1194734252 /nfs/dbraw/zinc/73/42/52/1194734252.db2.gz OABDQIYKUBITJZ-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC001033617849 1194959519 /nfs/dbraw/zinc/95/95/19/1194959519.db2.gz CBDFROONRZZCSN-VQIMIIECSA-N 1 2 348.450 2.294 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)c2ncccn2)C1 ZINC001033617849 1194959522 /nfs/dbraw/zinc/95/95/22/1194959522.db2.gz CBDFROONRZZCSN-VQIMIIECSA-N 1 2 348.450 2.294 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC001033689624 1195085486 /nfs/dbraw/zinc/08/54/86/1195085486.db2.gz DNLAYIGIGOURJO-GFCCVEGCSA-N 1 2 335.791 2.432 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC001033689624 1195085491 /nfs/dbraw/zinc/08/54/91/1195085491.db2.gz DNLAYIGIGOURJO-GFCCVEGCSA-N 1 2 335.791 2.432 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2-n2ccnn2)C1 ZINC001033710633 1195117790 /nfs/dbraw/zinc/11/77/90/1195117790.db2.gz SEEAIIPBTIQNSJ-CQSZACIVSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2-n2ccnn2)C1 ZINC001033710633 1195117792 /nfs/dbraw/zinc/11/77/92/1195117792.db2.gz SEEAIIPBTIQNSJ-CQSZACIVSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cncc3nc[nH]c32)C1 ZINC001033840281 1195359966 /nfs/dbraw/zinc/35/99/66/1195359966.db2.gz ZRASESYCIVSXPS-LBPRGKRZSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cncc3nc[nH]c32)C1 ZINC001033840281 1195359969 /nfs/dbraw/zinc/35/99/69/1195359969.db2.gz ZRASESYCIVSXPS-LBPRGKRZSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3nnc(C)n3c2)C1 ZINC001033877336 1195415113 /nfs/dbraw/zinc/41/51/13/1195415113.db2.gz DUXJHWYPQODXHQ-HNNXBMFYSA-N 1 2 347.850 2.327 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3nnc(C)n3c2)C1 ZINC001033877336 1195415115 /nfs/dbraw/zinc/41/51/15/1195415115.db2.gz DUXJHWYPQODXHQ-HNNXBMFYSA-N 1 2 347.850 2.327 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(OCC)n[nH]2)C1 ZINC001033869785 1195422991 /nfs/dbraw/zinc/42/29/91/1195422991.db2.gz WQFASFPKJSADDY-GFCCVEGCSA-N 1 2 326.828 2.097 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(OCC)n[nH]2)C1 ZINC001033869785 1195422992 /nfs/dbraw/zinc/42/29/92/1195422992.db2.gz WQFASFPKJSADDY-GFCCVEGCSA-N 1 2 326.828 2.097 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001033955041 1195556591 /nfs/dbraw/zinc/55/65/91/1195556591.db2.gz WDMKSUJRNQFOJE-XHSDSOJGSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001033955041 1195556596 /nfs/dbraw/zinc/55/65/96/1195556596.db2.gz WDMKSUJRNQFOJE-XHSDSOJGSA-N 1 2 349.500 2.465 20 30 EEEDLO CCN(C(=O)c1ccnnc1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033964749 1195590031 /nfs/dbraw/zinc/59/00/31/1195590031.db2.gz MGLUBBSJNMEYLO-GOSISDBHSA-N 1 2 335.411 2.085 20 30 EEEDLO CCN(C(=O)c1ccnnc1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033964749 1195590035 /nfs/dbraw/zinc/59/00/35/1195590035.db2.gz MGLUBBSJNMEYLO-GOSISDBHSA-N 1 2 335.411 2.085 20 30 EEEDLO CC[C@H](F)C(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108122102 1195988904 /nfs/dbraw/zinc/98/89/04/1195988904.db2.gz MZDMKGASWQCIKC-WMZOPIPTSA-N 1 2 333.407 2.013 20 30 EEEDLO CC[C@H](F)C(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108122102 1195988906 /nfs/dbraw/zinc/98/89/06/1195988906.db2.gz MZDMKGASWQCIKC-WMZOPIPTSA-N 1 2 333.407 2.013 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001034263224 1196014834 /nfs/dbraw/zinc/01/48/34/1196014834.db2.gz WGBXMSNJOWEFLO-CQSZACIVSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001034263224 1196014835 /nfs/dbraw/zinc/01/48/35/1196014835.db2.gz WGBXMSNJOWEFLO-CQSZACIVSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc3n(n2)CCCO3)C1 ZINC001034303055 1196071317 /nfs/dbraw/zinc/07/13/17/1196071317.db2.gz ARWHQUUHDCWMLT-CYBMUJFWSA-N 1 2 338.839 2.002 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc3n(n2)CCCO3)C1 ZINC001034303055 1196071319 /nfs/dbraw/zinc/07/13/19/1196071319.db2.gz ARWHQUUHDCWMLT-CYBMUJFWSA-N 1 2 338.839 2.002 20 30 EEEDLO CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC001034471929 1196276917 /nfs/dbraw/zinc/27/69/17/1196276917.db2.gz MGTZXHQMPJUSSD-KRWDZBQOSA-N 1 2 337.427 2.079 20 30 EEEDLO CC#CC[N@H+]1CCCC[C@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC001034471929 1196276919 /nfs/dbraw/zinc/27/69/19/1196276919.db2.gz MGTZXHQMPJUSSD-KRWDZBQOSA-N 1 2 337.427 2.079 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001018137622 1224379389 /nfs/dbraw/zinc/37/93/89/1224379389.db2.gz PGSKOUXYHWFTOZ-HDICACEKSA-N 1 2 334.423 2.389 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001018137622 1224379394 /nfs/dbraw/zinc/37/93/94/1224379394.db2.gz PGSKOUXYHWFTOZ-HDICACEKSA-N 1 2 334.423 2.389 20 30 EEEDLO C(=NO[C@@H]1CCCCO1)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872361067 1198156574 /nfs/dbraw/zinc/15/65/74/1198156574.db2.gz ZJEFWPCJWYWQGU-GOSISDBHSA-N 1 2 334.416 2.275 20 30 EEEDLO CC(C)OCCON=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872376167 1198161459 /nfs/dbraw/zinc/16/14/59/1198161459.db2.gz GDAZJWXHJBNRIE-UHFFFAOYSA-N 1 2 336.432 2.173 20 30 EEEDLO C[C@H](NN=Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(F)(F)F ZINC000872380400 1198162795 /nfs/dbraw/zinc/16/27/95/1198162795.db2.gz HEWKVKOFYKKOCV-ZDUSSCGKSA-N 1 2 345.365 2.272 20 30 EEEDLO CC1(C)C(=O)N(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1(C)C ZINC000872728765 1198356779 /nfs/dbraw/zinc/35/67/79/1198356779.db2.gz ZAVULSJGDMDLBO-UHFFFAOYSA-N 1 2 326.444 2.285 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cncc(OC)n2)C1 ZINC001132073628 1199265221 /nfs/dbraw/zinc/26/52/21/1199265221.db2.gz XFRJGLKZFAWOTD-LSDHHAIUSA-N 1 2 332.448 2.311 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cncc(OC)n2)C1 ZINC001132073628 1199265224 /nfs/dbraw/zinc/26/52/24/1199265224.db2.gz XFRJGLKZFAWOTD-LSDHHAIUSA-N 1 2 332.448 2.311 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)COCc2ncc(C)o2)CC[C@@H]1C ZINC001132164860 1199402587 /nfs/dbraw/zinc/40/25/87/1199402587.db2.gz LADPYRQXOCNWGR-GXTWGEPZSA-N 1 2 341.839 2.221 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)COCc2ncc(C)o2)CC[C@@H]1C ZINC001132164860 1199402594 /nfs/dbraw/zinc/40/25/94/1199402594.db2.gz LADPYRQXOCNWGR-GXTWGEPZSA-N 1 2 341.839 2.221 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cncc(OC)n2)C1 ZINC001132234451 1199452962 /nfs/dbraw/zinc/45/29/62/1199452962.db2.gz CALDPPNXRYGFLS-HZPDHXFCSA-N 1 2 344.459 2.148 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cncc(OC)n2)C1 ZINC001132234451 1199452964 /nfs/dbraw/zinc/45/29/64/1199452964.db2.gz CALDPPNXRYGFLS-HZPDHXFCSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)NCC3CCC3)C2)C1 ZINC001132273804 1199522150 /nfs/dbraw/zinc/52/21/50/1199522150.db2.gz KEMHFWAYERPDLS-RDJZCZTQSA-N 1 2 347.503 2.228 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)NCC3CCC3)C2)C1 ZINC001132273804 1199522155 /nfs/dbraw/zinc/52/21/55/1199522155.db2.gz KEMHFWAYERPDLS-RDJZCZTQSA-N 1 2 347.503 2.228 20 30 EEEDLO CC(C)C#CC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000825888418 1199682320 /nfs/dbraw/zinc/68/23/20/1199682320.db2.gz ZLMMBCPXMFBTRC-SFHVURJKSA-N 1 2 328.456 2.395 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2sccc2CC)CC[C@H]1C ZINC001132503663 1199786328 /nfs/dbraw/zinc/78/63/28/1199786328.db2.gz CPXWCXQYANJSBM-UKRRQHHQSA-N 1 2 349.500 2.195 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2sccc2CC)CC[C@H]1C ZINC001132503663 1199786331 /nfs/dbraw/zinc/78/63/31/1199786331.db2.gz CPXWCXQYANJSBM-UKRRQHHQSA-N 1 2 349.500 2.195 20 30 EEEDLO 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/nfs/dbraw/zinc/28/53/10/1217285310.db2.gz SNLHEJGTNYJAID-GDGBQDQQSA-N 1 2 344.640 2.237 20 30 EEEDLO C[C@]1(C(=O)N[C@@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)CCOC1 ZINC001015903940 1225808964 /nfs/dbraw/zinc/80/89/64/1225808964.db2.gz AIOPPWDRPIFIFL-MJGOQNOKSA-N 1 2 346.858 2.309 20 30 EEEDLO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)CCOC1 ZINC001015903940 1225808967 /nfs/dbraw/zinc/80/89/67/1225808967.db2.gz AIOPPWDRPIFIFL-MJGOQNOKSA-N 1 2 346.858 2.309 20 30 EEEDLO Cc1csc(C[N@H+]2CC[C@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000965901892 1219340669 /nfs/dbraw/zinc/34/06/69/1219340669.db2.gz YWRSCNFMIJWDKT-XHDPSFHLSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1csc(C[N@@H+]2CC[C@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000965901892 1219340673 /nfs/dbraw/zinc/34/06/73/1219340673.db2.gz YWRSCNFMIJWDKT-XHDPSFHLSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@@H](C)[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)s1 ZINC000965917133 1219356691 /nfs/dbraw/zinc/35/66/91/1219356691.db2.gz 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Cn1cccc1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001006772570 1221933857 /nfs/dbraw/zinc/93/38/57/1221933857.db2.gz JWXRRXBKAXKYMY-SFHVURJKSA-N 1 2 339.414 2.410 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)Cc2cncs2)C1 ZINC001007539090 1222284099 /nfs/dbraw/zinc/28/40/99/1222284099.db2.gz OQKVLWBCQWANQI-INIZCTEOSA-N 1 2 340.452 2.338 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)Cc2cncs2)C1 ZINC001007539090 1222284101 /nfs/dbraw/zinc/28/41/01/1222284101.db2.gz OQKVLWBCQWANQI-INIZCTEOSA-N 1 2 340.452 2.338 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3oc2=O)C1 ZINC001016162733 1226154968 /nfs/dbraw/zinc/15/49/68/1226154968.db2.gz DRRNZENVIMGYTE-ZDUSSCGKSA-N 1 2 332.787 2.350 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3ccccc3oc2=O)C1 ZINC001016162733 1226154973 /nfs/dbraw/zinc/15/49/73/1226154973.db2.gz DRRNZENVIMGYTE-ZDUSSCGKSA-N 1 2 332.787 2.350 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)[nH]1 ZINC001008567372 1222932123 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/nfs/dbraw/zinc/48/13/12/1228481312.db2.gz NFZWZVBNMWXGQC-GZMMTYOYSA-N 1 2 335.326 2.211 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC001019238097 1228903769 /nfs/dbraw/zinc/90/37/69/1228903769.db2.gz MJUFCXHDAPWSOU-HNNXBMFYSA-N 1 2 339.443 2.170 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1F ZINC001038256200 1229706898 /nfs/dbraw/zinc/70/68/98/1229706898.db2.gz CAUWMZUPFXRPGH-JZXOWHBKSA-N 1 2 332.419 2.497 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1F ZINC001038256200 1229706901 /nfs/dbraw/zinc/70/69/01/1229706901.db2.gz CAUWMZUPFXRPGH-JZXOWHBKSA-N 1 2 332.419 2.497 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc(C(F)F)n[nH]2)c1 ZINC001038684504 1229974801 /nfs/dbraw/zinc/97/48/01/1229974801.db2.gz NMFBDWYNCQXFRW-CYBMUJFWSA-N 1 2 345.353 2.223 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc(C(F)F)n[nH]2)c1 ZINC001038684504 1229974803 /nfs/dbraw/zinc/97/48/03/1229974803.db2.gz NMFBDWYNCQXFRW-CYBMUJFWSA-N 1 2 345.353 2.223 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CC23CC3)cc1C#N ZINC001038746681 1230017600 /nfs/dbraw/zinc/01/76/00/1230017600.db2.gz SMVFGWZCPIWWPM-JKSUJKDBSA-N 1 2 325.412 2.057 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CC23CC3)cc1C#N ZINC001038746681 1230017604 /nfs/dbraw/zinc/01/76/04/1230017604.db2.gz SMVFGWZCPIWWPM-JKSUJKDBSA-N 1 2 325.412 2.057 20 30 EEEDLO CC(C)n1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)n1 ZINC001038760179 1230030410 /nfs/dbraw/zinc/03/04/10/1230030410.db2.gz GMUBPABFMXOGSW-KRWDZBQOSA-N 1 2 337.427 2.340 20 30 EEEDLO CC(C)n1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)n1 ZINC001038760179 1230030417 /nfs/dbraw/zinc/03/04/17/1230030417.db2.gz GMUBPABFMXOGSW-KRWDZBQOSA-N 1 2 337.427 2.340 20 30 EEEDLO C#CCOc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cncc(C)c2)cc1 ZINC001038779123 1230047876 /nfs/dbraw/zinc/04/78/76/1230047876.db2.gz RCBIRUQOPAGXKJ-IBGZPJMESA-N 1 2 349.434 2.406 20 30 EEEDLO C#CCOc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cncc(C)c2)cc1 ZINC001038779123 1230047879 /nfs/dbraw/zinc/04/78/79/1230047879.db2.gz RCBIRUQOPAGXKJ-IBGZPJMESA-N 1 2 349.434 2.406 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N2CCC([C@@H]3CCN(CC#N)C3)CC2)c[nH+]1 ZINC001039144039 1230362130 /nfs/dbraw/zinc/36/21/30/1230362130.db2.gz ZYAZLGWUHLWVJA-QGZVFWFLSA-N 1 2 343.475 2.011 20 30 EEEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc([C@@H](C)OC)s1 ZINC001039375163 1230561548 /nfs/dbraw/zinc/56/15/48/1230561548.db2.gz RYSYOALMYXQAJK-MCIONIFRSA-N 1 2 333.457 2.163 20 30 EEEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc([C@@H](C)OC)s1 ZINC001039375163 1230561552 /nfs/dbraw/zinc/56/15/52/1230561552.db2.gz RYSYOALMYXQAJK-MCIONIFRSA-N 1 2 333.457 2.163 20 30 EEEDLO C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nnc1-c1ccccc1 ZINC001039474960 1230638901 /nfs/dbraw/zinc/63/89/01/1230638901.db2.gz SUAJGHQYHLIMJB-SJORKVTESA-N 1 2 349.438 2.174 20 30 EEEDLO C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nnc1-c1ccccc1 ZINC001039474960 1230638903 /nfs/dbraw/zinc/63/89/03/1230638903.db2.gz SUAJGHQYHLIMJB-SJORKVTESA-N 1 2 349.438 2.174 20 30 EEEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H](O)c1ccccc1F ZINC001039531306 1230679890 /nfs/dbraw/zinc/67/98/90/1230679890.db2.gz LZHBPCLRYCAOPB-BSXFFOKHSA-N 1 2 345.418 2.084 20 30 EEEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccccc1F ZINC001039531306 1230679891 /nfs/dbraw/zinc/67/98/91/1230679891.db2.gz LZHBPCLRYCAOPB-BSXFFOKHSA-N 1 2 345.418 2.084 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3nonc3C)[C@@H]2C1 ZINC001042183396 1231942029 /nfs/dbraw/zinc/94/20/29/1231942029.db2.gz JTRPMXXEZYRIOS-GOEBONIOSA-N 1 2 332.448 2.403 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3nonc3C)[C@@H]2C1 ZINC001042183396 1231942032 /nfs/dbraw/zinc/94/20/32/1231942032.db2.gz JTRPMXXEZYRIOS-GOEBONIOSA-N 1 2 332.448 2.403 20 30 EEEDLO Cc1ccccc1OCC[NH+]1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001042589813 1232113889 /nfs/dbraw/zinc/11/38/89/1232113889.db2.gz OCQJNQFYKCKPJR-UHFFFAOYSA-N 1 2 338.411 2.030 20 30 EEEDLO CN(C(=O)[C@H]1C[C@H]2C[C@H]2C1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001043585876 1232497436 /nfs/dbraw/zinc/49/74/36/1232497436.db2.gz CBWOJESLKPGMBK-FVQHAEBGSA-N 1 2 339.439 2.278 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnc(C)cn2)C1 ZINC001095984658 1233032086 /nfs/dbraw/zinc/03/20/86/1233032086.db2.gz OPPWZVZFTGMEIO-IKGGRYGDSA-N 1 2 326.444 2.363 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnc(C)cn2)C1 ZINC001095984658 1233032093 /nfs/dbraw/zinc/03/20/93/1233032093.db2.gz OPPWZVZFTGMEIO-IKGGRYGDSA-N 1 2 326.444 2.363 20 30 EEEDLO CC1(NC(=O)c2c[nH]c(C#N)c2)CC[NH+](Cc2cscn2)CC1 ZINC001045411749 1233728729 /nfs/dbraw/zinc/72/87/29/1233728729.db2.gz SIBJSGPXMCUXEM-UHFFFAOYSA-N 1 2 329.429 2.127 20 30 EEEDLO Cc1nsc(N[C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)c1C#N ZINC001045575567 1233829720 /nfs/dbraw/zinc/82/97/20/1233829720.db2.gz XJHYEKZDWVJVTI-CHWSQXEVSA-N 1 2 344.444 2.128 20 30 EEEDLO CC(C)c1ccccc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046034696 1234350961 /nfs/dbraw/zinc/35/09/61/1234350961.db2.gz XTTWYKOSDWOMLV-KRWDZBQOSA-N 1 2 340.471 2.166 20 30 EEEDLO C[C@]1(NC(=O)c2cscn2)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046192684 1234537858 /nfs/dbraw/zinc/53/78/58/1234537858.db2.gz RGYHKOCSXHUXPP-KRWDZBQOSA-N 1 2 326.425 2.409 20 30 EEEDLO C[C@]1(NC(=O)c2cscn2)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046192684 1234537862 /nfs/dbraw/zinc/53/78/62/1234537862.db2.gz RGYHKOCSXHUXPP-KRWDZBQOSA-N 1 2 326.425 2.409 20 30 EEEDLO Cc1ncoc1C(=O)N[C@]1(C)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046215459 1234563531 /nfs/dbraw/zinc/56/35/31/1234563531.db2.gz CVHDGFPLLXRKCM-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ncoc1C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046215459 1234563534 /nfs/dbraw/zinc/56/35/34/1234563534.db2.gz CVHDGFPLLXRKCM-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO CC(C)c1cnc(C[N@@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001046252983 1234597486 /nfs/dbraw/zinc/59/74/86/1234597486.db2.gz NXCMKCWUXXDTEI-GOSISDBHSA-N 1 2 341.415 2.392 20 30 EEEDLO CC(C)c1cnc(C[N@H+]2CC[C@@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001046252983 1234597487 /nfs/dbraw/zinc/59/74/87/1234597487.db2.gz NXCMKCWUXXDTEI-GOSISDBHSA-N 1 2 341.415 2.392 20 30 EEEDLO C=CCOCC(=O)N(C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001096101586 1234877115 /nfs/dbraw/zinc/87/71/15/1234877115.db2.gz BECGTIJHIBFKOP-UHFFFAOYSA-N 1 2 332.448 2.032 20 30 EEEDLO C[C@]1(NC(=O)c2cnco2)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046519022 1234897739 /nfs/dbraw/zinc/89/77/39/1234897739.db2.gz AGJBPOPGSKENGH-SFHVURJKSA-N 1 2 327.359 2.060 20 30 EEEDLO C[C@]1(NC(=O)c2cnco2)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046519022 1234897740 /nfs/dbraw/zinc/89/77/40/1234897740.db2.gz AGJBPOPGSKENGH-SFHVURJKSA-N 1 2 327.359 2.060 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2n[nH]c3c2C[C@@H](C)CC3)C1 ZINC001046740495 1235134592 /nfs/dbraw/zinc/13/45/92/1235134592.db2.gz UZZLMMQEROTCDZ-APPDUMDISA-N 1 2 336.867 2.481 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2n[nH]c3c2C[C@@H](C)CC3)C1 ZINC001046740495 1235134595 /nfs/dbraw/zinc/13/45/95/1235134595.db2.gz UZZLMMQEROTCDZ-APPDUMDISA-N 1 2 336.867 2.481 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001046748084 1235143753 /nfs/dbraw/zinc/14/37/53/1235143753.db2.gz FULYFAPQWDBUAA-KRWDZBQOSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001046748084 1235143754 /nfs/dbraw/zinc/14/37/54/1235143754.db2.gz FULYFAPQWDBUAA-KRWDZBQOSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2CCOCC2)C1 ZINC001046911831 1235299307 /nfs/dbraw/zinc/29/93/07/1235299307.db2.gz GWWNWXPNLUZMTM-CYBMUJFWSA-N 1 2 336.810 2.239 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2CCOCC2)C1 ZINC001046911831 1235299310 /nfs/dbraw/zinc/29/93/10/1235299310.db2.gz GWWNWXPNLUZMTM-CYBMUJFWSA-N 1 2 336.810 2.239 20 30 EEEDLO Cc1cc(NN=C2C[C@@]3(CCOC3)Oc3ccccc32)nc(N)[nH+]1 ZINC000901272064 1235462927 /nfs/dbraw/zinc/46/29/27/1235462927.db2.gz UPSAUQFTCJROQE-QGZVFWFLSA-N 1 2 325.372 2.125 20 30 EEEDLO C#CC[NH+]1CCC([C@H]2CCCN(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC001047240319 1235725283 /nfs/dbraw/zinc/72/52/83/1235725283.db2.gz AQSZHAVVSVVQHB-UONOGXRCSA-N 1 2 334.357 2.471 20 30 EEEDLO C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](F)C(F)(F)F)C2)CC1 ZINC001047240319 1235725292 /nfs/dbraw/zinc/72/52/92/1235725292.db2.gz AQSZHAVVSVVQHB-UONOGXRCSA-N 1 2 334.357 2.471 20 30 EEEDLO N#Cc1c(F)cccc1N1CC[NH+](CCNC(=O)C2=CCCC2)CC1 ZINC001096279523 1237046101 /nfs/dbraw/zinc/04/61/01/1237046101.db2.gz YEMRRUCZAJVGMZ-UHFFFAOYSA-N 1 2 342.418 2.046 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CN3Cc4ccccc4C3=O)C2)nc1 ZINC000902276405 1237326539 /nfs/dbraw/zinc/32/65/39/1237326539.db2.gz BJKBRNMJRNRAIJ-INIZCTEOSA-N 1 2 334.379 2.020 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CN3Cc4ccccc4C3=O)C2)nc1 ZINC000902276405 1237326545 /nfs/dbraw/zinc/32/65/45/1237326545.db2.gz BJKBRNMJRNRAIJ-INIZCTEOSA-N 1 2 334.379 2.020 20 30 EEEDLO C#Cc1ccc(C(=O)NC2CC3(C2)CC(Nc2cc[nH+]c(C)n2)C3)nc1 ZINC001056522861 1239428576 /nfs/dbraw/zinc/42/85/76/1239428576.db2.gz XFNAYPCCVHMCMQ-UHFFFAOYSA-N 1 2 347.422 2.314 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)o1 ZINC001049401642 1240795188 /nfs/dbraw/zinc/79/51/88/1240795188.db2.gz OUAAFGJKSSCBGI-HZPDHXFCSA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)o1 ZINC001049401642 1240795198 /nfs/dbraw/zinc/79/51/98/1240795198.db2.gz OUAAFGJKSSCBGI-HZPDHXFCSA-N 1 2 339.399 2.062 20 30 EEEDLO N#Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2nccs2)[nH]1 ZINC001049424176 1240871773 /nfs/dbraw/zinc/87/17/73/1240871773.db2.gz AHFQJWYLOXQEFY-GJZGRUSLSA-N 1 2 341.440 2.222 20 30 EEEDLO N#Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2nccs2)[nH]1 ZINC001049424176 1240871777 /nfs/dbraw/zinc/87/17/77/1240871777.db2.gz AHFQJWYLOXQEFY-GJZGRUSLSA-N 1 2 341.440 2.222 20 30 EEEDLO N#Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2cscn2)[nH]1 ZINC001049424446 1240872124 /nfs/dbraw/zinc/87/21/24/1240872124.db2.gz FASCSDQQQKDOGX-JKSUJKDBSA-N 1 2 341.440 2.222 20 30 EEEDLO N#Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2cscn2)[nH]1 ZINC001049424446 1240872130 /nfs/dbraw/zinc/87/21/30/1240872130.db2.gz FASCSDQQQKDOGX-JKSUJKDBSA-N 1 2 341.440 2.222 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c[nH]cc2ncnc1-2 ZINC001049484717 1241095877 /nfs/dbraw/zinc/09/58/77/1241095877.db2.gz IXMPPBZLGBJWSZ-GJZGRUSLSA-N 1 2 345.834 2.389 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c[nH]cc2ncnc1-2 ZINC001049484717 1241095894 /nfs/dbraw/zinc/09/58/94/1241095894.db2.gz IXMPPBZLGBJWSZ-GJZGRUSLSA-N 1 2 345.834 2.389 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cncc2nc[nH]c21 ZINC001049484717 1241095905 /nfs/dbraw/zinc/09/59/05/1241095905.db2.gz IXMPPBZLGBJWSZ-GJZGRUSLSA-N 1 2 345.834 2.389 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cncc2nc[nH]c21 ZINC001049484717 1241095913 /nfs/dbraw/zinc/09/59/13/1241095913.db2.gz IXMPPBZLGBJWSZ-GJZGRUSLSA-N 1 2 345.834 2.389 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cnc(Cl)n2C)CC1 ZINC001000943705 1241268922 /nfs/dbraw/zinc/26/89/22/1241268922.db2.gz BEZSIMFSNVAPAK-UHFFFAOYSA-N 1 2 329.231 2.188 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cnc(Cl)n2C)CC1 ZINC001000943705 1241268934 /nfs/dbraw/zinc/26/89/34/1241268934.db2.gz BEZSIMFSNVAPAK-UHFFFAOYSA-N 1 2 329.231 2.188 20 30 EEEDLO CN(c1ccc(C#N)nc1)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001057067156 1241573504 /nfs/dbraw/zinc/57/35/04/1241573504.db2.gz DROGVCLNOMUNNA-INIZCTEOSA-N 1 2 346.394 2.180 20 30 EEEDLO C=C1CCC(C(=O)NCC2=CC[N@H+]([C@H](C)c3nncn3C)CC2)CC1 ZINC001001116918 1241670772 /nfs/dbraw/zinc/67/07/72/1241670772.db2.gz NSJLONMLKAQDEW-OAHLLOKOSA-N 1 2 343.475 2.371 20 30 EEEDLO C=C1CCC(C(=O)NCC2=CC[N@@H+]([C@H](C)c3nncn3C)CC2)CC1 ZINC001001116918 1241670781 /nfs/dbraw/zinc/67/07/81/1241670781.db2.gz NSJLONMLKAQDEW-OAHLLOKOSA-N 1 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C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cnn3ccc(C)nc23)CC1 ZINC001001379927 1242164040 /nfs/dbraw/zinc/16/40/40/1242164040.db2.gz YWVVDPISUWZZSD-UHFFFAOYSA-N 1 2 345.834 2.152 20 30 EEEDLO C=CCn1cccc1C(=O)NCC1CC[NH+](Cc2cnns2)CC1 ZINC001001482083 1242356915 /nfs/dbraw/zinc/35/69/15/1242356915.db2.gz VFHQSIZCUZUTLY-UHFFFAOYSA-N 1 2 345.472 2.168 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ccc(N(C)C)cn2)CC1 ZINC001001482361 1242358480 /nfs/dbraw/zinc/35/84/80/1242358480.db2.gz VGXOKZNOZZXGHJ-UHFFFAOYSA-N 1 2 334.851 2.262 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ccc(N(C)C)cn2)CC1 ZINC001001482361 1242358489 /nfs/dbraw/zinc/35/84/89/1242358489.db2.gz VGXOKZNOZZXGHJ-UHFFFAOYSA-N 1 2 334.851 2.262 20 30 EEEDLO Cc1nc(N[C@H]2CCCCCN(C(=O)c3ccc(C#N)[nH]3)C2)cc[nH+]1 ZINC001049893448 1242571533 /nfs/dbraw/zinc/57/15/33/1242571533.db2.gz KCVRXUGXICDLHJ-HNNXBMFYSA-N 1 2 338.415 2.482 20 30 EEEDLO N#Cc1ccc(N[C@@H]2CCCCCN(C(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001049931780 1242763004 /nfs/dbraw/zinc/76/30/04/1242763004.db2.gz HKIOVBGUVWKTEC-MRXNPFEDSA-N 1 2 338.415 2.102 20 30 EEEDLO N#Cc1cccnc1N1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001057255270 1242792046 /nfs/dbraw/zinc/79/20/46/1242792046.db2.gz ZXIGBTZQFGRSRF-UHFFFAOYSA-N 1 2 346.394 2.182 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001050258893 1243199310 /nfs/dbraw/zinc/19/93/10/1243199310.db2.gz FCPJSNRZKZBJOC-KBPBESRZSA-N 1 2 340.427 2.496 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H](Nc3nc(N(C)C)nc(C)[nH+]3)C2)CCC1 ZINC001097097948 1243692013 /nfs/dbraw/zinc/69/20/13/1243692013.db2.gz AQDYUDZXXUUVFB-HDJSIYSDSA-N 1 2 344.463 2.052 20 30 EEEDLO C=CCCOCC(=O)N1CCC[C@@H]2CN(c3cc[nH+]c(C)n3)CC[C@@H]21 ZINC001097139703 1243756867 /nfs/dbraw/zinc/75/68/67/1243756867.db2.gz LQOXVTMBJIHNKH-SJORKVTESA-N 1 2 344.459 2.195 20 30 EEEDLO C[C@@H](CC(=O)N1CCC(Nc2ncccc2C#N)CC1)n1cc[nH+]c1 ZINC001057435342 1243764242 /nfs/dbraw/zinc/76/42/42/1243764242.db2.gz VKNIBPMKEVHHNR-AWEZNQCLSA-N 1 2 338.415 2.204 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[NH+](Cc2nnc(CC)o2)CC3)C1 ZINC001050656840 1244053564 /nfs/dbraw/zinc/05/35/64/1244053564.db2.gz JPQIOIFTTQUOTG-UHFFFAOYSA-N 1 2 344.459 2.413 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3nnc(C)n3c1)C2 ZINC001097392993 1244093183 /nfs/dbraw/zinc/09/31/83/1244093183.db2.gz DQSBRQUVNDJCPY-KFWWJZLASA-N 1 2 345.834 2.125 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3nnc(C)n3c1)C2 ZINC001097392993 1244093193 /nfs/dbraw/zinc/09/31/93/1244093193.db2.gz DQSBRQUVNDJCPY-KFWWJZLASA-N 1 2 345.834 2.125 20 30 EEEDLO Cc1cc(N[C@@H](C)CNC(=O)c2ccc(C#N)[nH]2)nc(C(C)C)[nH+]1 ZINC001097758561 1244555431 /nfs/dbraw/zinc/55/54/31/1244555431.db2.gz HOGWOWKJJALJHM-LBPRGKRZSA-N 1 2 326.404 2.339 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(Cl)ccc1F ZINC001051013213 1244849684 /nfs/dbraw/zinc/84/96/84/1244849684.db2.gz AOKHBDZTBOYDPR-CYBMUJFWSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(Cl)ccc1F ZINC001051013213 1244849696 /nfs/dbraw/zinc/84/96/96/1244849696.db2.gz AOKHBDZTBOYDPR-CYBMUJFWSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H](C)[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001052733332 1244861811 /nfs/dbraw/zinc/86/18/11/1244861811.db2.gz GFIPMPCSBHXJPL-DLBZAZTESA-N 1 2 346.475 2.230 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC001051046058 1244902732 /nfs/dbraw/zinc/90/27/32/1244902732.db2.gz IBKLNTUDOBNFPG-SJLPKXTDSA-N 1 2 344.455 2.173 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC001051046058 1244902736 /nfs/dbraw/zinc/90/27/36/1244902736.db2.gz IBKLNTUDOBNFPG-SJLPKXTDSA-N 1 2 344.455 2.173 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001051049362 1244908806 /nfs/dbraw/zinc/90/88/06/1244908806.db2.gz KSHOARNZSACPPV-INIZCTEOSA-N 1 2 327.428 2.483 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001051049362 1244908814 /nfs/dbraw/zinc/90/88/14/1244908814.db2.gz KSHOARNZSACPPV-INIZCTEOSA-N 1 2 327.428 2.483 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001051057372 1244920556 /nfs/dbraw/zinc/92/05/56/1244920556.db2.gz GXFSDCSLZDTHQT-MRXNPFEDSA-N 1 2 327.428 2.483 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001051057372 1244920561 /nfs/dbraw/zinc/92/05/61/1244920561.db2.gz GXFSDCSLZDTHQT-MRXNPFEDSA-N 1 2 327.428 2.483 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc2ccsc2c1 ZINC001051062686 1244928034 /nfs/dbraw/zinc/92/80/34/1244928034.db2.gz YTEVVABQZSCSEJ-CQSZACIVSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc2ccsc2c1 ZINC001051062686 1244928042 /nfs/dbraw/zinc/92/80/42/1244928042.db2.gz YTEVVABQZSCSEJ-CQSZACIVSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1nccc2ccccc21 ZINC001051089232 1244963302 /nfs/dbraw/zinc/96/33/02/1244963302.db2.gz KSRUVDPWQGZLLA-INIZCTEOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1nccc2ccccc21 ZINC001051089232 1244963306 /nfs/dbraw/zinc/96/33/06/1244963306.db2.gz KSRUVDPWQGZLLA-INIZCTEOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CN(c2cc[nH+]c(C)n2)CC[C@H]1C ZINC001067997534 1250162589 /nfs/dbraw/zinc/16/25/89/1250162589.db2.gz NYVFVRMMQXBTIX-ZBFHGGJFSA-N 1 2 339.443 2.417 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(OC)c1F ZINC001051176877 1245090890 /nfs/dbraw/zinc/09/08/90/1245090890.db2.gz BOFDRNZCVHSOGB-CQSZACIVSA-N 1 2 336.407 2.231 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(OC)c1F ZINC001051176877 1245090895 /nfs/dbraw/zinc/09/08/95/1245090895.db2.gz BOFDRNZCVHSOGB-CQSZACIVSA-N 1 2 336.407 2.231 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2ccncc2c1 ZINC001051200118 1245379749 /nfs/dbraw/zinc/37/97/49/1245379749.db2.gz WLCMWDWWEVJJOW-GOSISDBHSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2ccncc2c1 ZINC001051200118 1245379756 /nfs/dbraw/zinc/37/97/56/1245379756.db2.gz WLCMWDWWEVJJOW-GOSISDBHSA-N 1 2 325.412 2.242 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/nfs/dbraw/zinc/46/79/93/769467993.db2.gz VOFWFGWCDLANTJ-INIZCTEOSA-N 1 2 340.431 2.101 20 30 EEEDLO Cc1ncc(C(=O)NCC2C[NH+](CC#Cc3cccc(Cl)c3)C2)[nH]1 ZINC001031582215 769842450 /nfs/dbraw/zinc/84/24/50/769842450.db2.gz RRNJWYRYWYQAOB-UHFFFAOYSA-N 1 2 342.830 2.085 20 30 EEEDLO Cn1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2C#N)c1 ZINC001027819753 770605432 /nfs/dbraw/zinc/60/54/32/770605432.db2.gz RFPYLOHHWMGZQX-SFHVURJKSA-N 1 2 340.402 2.430 20 30 EEEDLO Cn1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cc(F)ccc2C#N)c1 ZINC001027819753 770605436 /nfs/dbraw/zinc/60/54/36/770605436.db2.gz RFPYLOHHWMGZQX-SFHVURJKSA-N 1 2 340.402 2.430 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001060743453 770649753 /nfs/dbraw/zinc/64/97/53/770649753.db2.gz DCXUNQMGVFFLPN-WKILWMFISA-N 1 2 346.475 2.490 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001060743453 770649757 /nfs/dbraw/zinc/64/97/57/770649757.db2.gz DCXUNQMGVFFLPN-WKILWMFISA-N 1 2 346.475 2.490 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001063193305 790328141 /nfs/dbraw/zinc/32/81/41/790328141.db2.gz XVXOONDNMCXQQZ-LSDHHAIUSA-N 1 2 346.475 2.346 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001063193305 790328150 /nfs/dbraw/zinc/32/81/50/790328150.db2.gz XVXOONDNMCXQQZ-LSDHHAIUSA-N 1 2 346.475 2.346 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)s1 ZINC001027836730 773300583 /nfs/dbraw/zinc/30/05/83/773300583.db2.gz WVYIQCFDRXKPQL-AWEZNQCLSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1cnc(C[N@H+]2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)s1 ZINC001027836730 773300592 /nfs/dbraw/zinc/30/05/92/773300592.db2.gz WVYIQCFDRXKPQL-AWEZNQCLSA-N 1 2 329.429 2.046 20 30 EEEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)CCCCCC)C2)C(=O)C1 ZINC001131726867 783136439 /nfs/dbraw/zinc/13/64/39/783136439.db2.gz WJUOAMCWQYDRHR-GOSISDBHSA-N 1 2 347.503 2.115 20 30 EEEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)CCCCCC)C2)C(=O)C1 ZINC001131726867 783136445 /nfs/dbraw/zinc/13/64/45/783136445.db2.gz WJUOAMCWQYDRHR-GOSISDBHSA-N 1 2 347.503 2.115 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060756122 774327884 /nfs/dbraw/zinc/32/78/84/774327884.db2.gz DBZDMXGENPDPFF-YYIAUSFCSA-N 1 2 346.475 2.133 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC000938653713 774334549 /nfs/dbraw/zinc/33/45/49/774334549.db2.gz AMXPEYNTWUJGRA-HNNXBMFYSA-N 1 2 344.459 2.151 20 30 EEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000180082026 774478766 /nfs/dbraw/zinc/47/87/66/774478766.db2.gz ZJERFOGSOLIUIM-CQSZACIVSA-N 1 2 346.431 2.210 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3CCOCC3)CC2)s1 ZINC000980612730 774996327 /nfs/dbraw/zinc/99/63/27/774996327.db2.gz LXJHRFJLHREUQR-UHFFFAOYSA-N 1 2 333.457 2.081 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CCOCC3)CC2)s1 ZINC000980612730 774996331 /nfs/dbraw/zinc/99/63/31/774996331.db2.gz LXJHRFJLHREUQR-UHFFFAOYSA-N 1 2 333.457 2.081 20 30 EEEDLO O=C(c1ccnc(F)c1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000980814300 775697475 /nfs/dbraw/zinc/69/74/75/775697475.db2.gz JRAZHCLBFLYHMJ-UHFFFAOYSA-N 1 2 337.398 2.420 20 30 EEEDLO O=C(c1ccnc(F)c1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000980814300 775697477 /nfs/dbraw/zinc/69/74/77/775697477.db2.gz JRAZHCLBFLYHMJ-UHFFFAOYSA-N 1 2 337.398 2.420 20 30 EEEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCN(C(=O)[C@H](C)C#N)CC2)cc1 ZINC000980838533 775799767 /nfs/dbraw/zinc/79/97/67/775799767.db2.gz RWTKJUOXJLBSED-CVEARBPZSA-N 1 2 342.443 2.016 20 30 EEEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCCN(C(=O)[C@H](C)C#N)CC2)cc1 ZINC000980838533 775799776 /nfs/dbraw/zinc/79/97/76/775799776.db2.gz RWTKJUOXJLBSED-CVEARBPZSA-N 1 2 342.443 2.016 20 30 EEEDLO N#Cc1ccc(C(=O)N2CCC[N@H+](Cc3nc4ccccc4o3)CC2)[nH]1 ZINC000980992031 776255507 /nfs/dbraw/zinc/25/55/07/776255507.db2.gz YKUJBDYDIOJKRK-UHFFFAOYSA-N 1 2 349.394 2.376 20 30 EEEDLO N#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3nc4ccccc4o3)CC2)[nH]1 ZINC000980992031 776255511 /nfs/dbraw/zinc/25/55/11/776255511.db2.gz YKUJBDYDIOJKRK-UHFFFAOYSA-N 1 2 349.394 2.376 20 30 EEEDLO O=C(c1ccc(F)cn1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981020209 776355473 /nfs/dbraw/zinc/35/54/73/776355473.db2.gz NAUNHNTVRHIOJT-UHFFFAOYSA-N 1 2 337.398 2.420 20 30 EEEDLO O=C(c1ccc(F)cn1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981020209 776355480 /nfs/dbraw/zinc/35/54/80/776355480.db2.gz NAUNHNTVRHIOJT-UHFFFAOYSA-N 1 2 337.398 2.420 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnc2cc(OC)ccn21 ZINC001028026788 776431326 /nfs/dbraw/zinc/43/13/26/776431326.db2.gz BETASSDPWHWCNK-ZDUSSCGKSA-N 1 2 348.834 2.290 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2cc(OC)ccn21 ZINC001028026788 776431327 /nfs/dbraw/zinc/43/13/27/776431327.db2.gz BETASSDPWHWCNK-ZDUSSCGKSA-N 1 2 348.834 2.290 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc2cc(OC)ccn21 ZINC001028026787 776431475 /nfs/dbraw/zinc/43/14/75/776431475.db2.gz BETASSDPWHWCNK-CYBMUJFWSA-N 1 2 348.834 2.290 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2cc(OC)ccn21 ZINC001028026787 776431481 /nfs/dbraw/zinc/43/14/81/776431481.db2.gz BETASSDPWHWCNK-CYBMUJFWSA-N 1 2 348.834 2.290 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)CC3(O)CCC3)CC2)ccc1F ZINC000981124654 776597500 /nfs/dbraw/zinc/59/75/00/776597500.db2.gz SQHNNBHRJAUIIS-UHFFFAOYSA-N 1 2 345.418 2.037 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)CC3(O)CCC3)CC2)ccc1F ZINC000981124654 776597509 /nfs/dbraw/zinc/59/75/09/776597509.db2.gz SQHNNBHRJAUIIS-UHFFFAOYSA-N 1 2 345.418 2.037 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CC3(O)CCC3)CC2)cc1F ZINC000981127718 776602717 /nfs/dbraw/zinc/60/27/17/776602717.db2.gz KCONSUCPCCQQHE-UHFFFAOYSA-N 1 2 345.418 2.037 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CC3(O)CCC3)CC2)cc1F ZINC000981127718 776602724 /nfs/dbraw/zinc/60/27/24/776602724.db2.gz KCONSUCPCCQQHE-UHFFFAOYSA-N 1 2 345.418 2.037 20 30 EEEDLO Cc1ncc(CC(=O)N2CCC[N@H+](Cc3ccccc3C#N)CC2)o1 ZINC000981319426 777130998 /nfs/dbraw/zinc/13/09/98/777130998.db2.gz JQUYJPTUQAFFIM-UHFFFAOYSA-N 1 2 338.411 2.132 20 30 EEEDLO Cc1ncc(CC(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)o1 ZINC000981319426 777131000 /nfs/dbraw/zinc/13/10/00/777131000.db2.gz JQUYJPTUQAFFIM-UHFFFAOYSA-N 1 2 338.411 2.132 20 30 EEEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@H](F)C3)C2)ccc1F ZINC001031926967 779882768 /nfs/dbraw/zinc/88/27/68/779882768.db2.gz DAJJKPSYYXIFLP-HOCLYGCPSA-N 1 2 333.382 2.384 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2oncc2C)C1 ZINC001087459506 780919182 /nfs/dbraw/zinc/91/91/82/780919182.db2.gz IIHCNZKKPLQJCI-IAGOWNOFSA-N 1 2 341.386 2.343 20 30 EEEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2oncc2C)C1 ZINC001087459506 780919184 /nfs/dbraw/zinc/91/91/84/780919184.db2.gz IIHCNZKKPLQJCI-IAGOWNOFSA-N 1 2 341.386 2.343 20 30 EEEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C(C)(F)F)C1 ZINC001087472451 781337696 /nfs/dbraw/zinc/33/76/96/781337696.db2.gz GETQJQFHPPNQGG-HOTGVXAUSA-N 1 2 336.382 2.258 20 30 EEEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C(C)(F)F)C1 ZINC001087472451 781337699 /nfs/dbraw/zinc/33/76/99/781337699.db2.gz GETQJQFHPPNQGG-HOTGVXAUSA-N 1 2 336.382 2.258 20 30 EEEDLO Cc1cc(N(CCNC(=O)CSCC#N)C2CC2)nc(C(C)C)[nH+]1 ZINC001101283389 781343780 /nfs/dbraw/zinc/34/37/80/781343780.db2.gz GBPUBASQLKXSJB-UHFFFAOYSA-N 1 2 347.488 2.250 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3F)C[C@H]21 ZINC001075776428 781475501 /nfs/dbraw/zinc/47/55/01/781475501.db2.gz NOBPSCMFGIYNPW-MAUKXSAKSA-N 1 2 330.378 2.411 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](Cc3ccc(F)cc3F)C[C@H]21 ZINC001075776428 781475510 /nfs/dbraw/zinc/47/55/10/781475510.db2.gz NOBPSCMFGIYNPW-MAUKXSAKSA-N 1 2 330.378 2.411 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCCCC[C@@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001088280869 783349463 /nfs/dbraw/zinc/34/94/63/783349463.db2.gz CROIVNOKJIPOFE-DZGCQCFKSA-N 1 2 345.447 2.358 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCCCC[C@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001088280808 783349499 /nfs/dbraw/zinc/34/94/99/783349499.db2.gz AYTCBNZIJJETTP-MNOVXSKESA-N 1 2 341.362 2.028 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC001131945762 783507940 /nfs/dbraw/zinc/50/79/40/783507940.db2.gz AFFKUEUSBMIECH-IUODEOHRSA-N 1 2 337.489 2.432 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(C)c(C)s2)C1 ZINC001131945762 783507947 /nfs/dbraw/zinc/50/79/47/783507947.db2.gz AFFKUEUSBMIECH-IUODEOHRSA-N 1 2 337.489 2.432 20 30 EEEDLO C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F)NC(=O)c1[nH]ncc1F ZINC001135408424 783721936 /nfs/dbraw/zinc/72/19/36/783721936.db2.gz XHVQDCUJHAJVPD-WDEREUQCSA-N 1 2 347.369 2.246 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccnc(-c3ccco3)c2)C1 ZINC001035411864 784484497 /nfs/dbraw/zinc/48/44/97/784484497.db2.gz ONTVTKNEWCTEAG-MRXNPFEDSA-N 1 2 341.411 2.348 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccnc(-c3ccco3)c2)C1 ZINC001035411864 784484507 /nfs/dbraw/zinc/48/45/07/784484507.db2.gz ONTVTKNEWCTEAG-MRXNPFEDSA-N 1 2 341.411 2.348 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EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(Cl)cn2CC)C1 ZINC001035607331 784841357 /nfs/dbraw/zinc/84/13/57/784841357.db2.gz VSRGMWPHJFCZSN-CQSZACIVSA-N 1 2 325.840 2.168 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(F)(F)C(F)F)cn1 ZINC001135961204 784901793 /nfs/dbraw/zinc/90/17/93/784901793.db2.gz NIHZYYXVRDCKQQ-MNOVXSKESA-N 1 2 345.340 2.450 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@@H]([NH2+]Cc2nc(C)no2)C(C)(C)C1 ZINC000995914886 785838204 /nfs/dbraw/zinc/83/82/04/785838204.db2.gz GESXKOKERWSJEU-OAHLLOKOSA-N 1 2 343.431 2.006 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)NC/C=C\CNc1cccc(F)c1C#N ZINC001107285945 786723777 /nfs/dbraw/zinc/72/37/77/786723777.db2.gz SCMUFGLCTFHMFK-IHWYPQMZSA-N 1 2 327.363 2.056 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(F)cc(F)cc2F)[C@H](O)C1 ZINC001090535215 786777734 /nfs/dbraw/zinc/77/77/34/786777734.db2.gz SPACQKBXOBAWGF-QWHCGFSZSA-N 1 2 348.752 2.021 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(F)cc(F)cc2F)[C@H](O)C1 ZINC001090535215 786777742 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Cc1noc([C@]23COC[C@H]2C[N@@H+](Cc2c(Cl)cccc2C#N)C3)n1 ZINC001143725290 788798845 /nfs/dbraw/zinc/79/88/45/788798845.db2.gz XXRDVTYGYBRUHN-CXAGYDPISA-N 1 2 344.802 2.303 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001090971741 789224692 /nfs/dbraw/zinc/22/46/92/789224692.db2.gz CRTMZSDEFDDNPS-PEELUZDISA-N 1 2 344.459 2.248 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)CC ZINC001109769450 805954404 /nfs/dbraw/zinc/95/44/04/805954404.db2.gz DBDGNHROBSOSTD-WCVJEAGWSA-N 1 2 335.492 2.225 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)CC ZINC001109769450 805954409 /nfs/dbraw/zinc/95/44/09/805954409.db2.gz DBDGNHROBSOSTD-WCVJEAGWSA-N 1 2 335.492 2.225 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](C)CCCOC)CC2)C1 ZINC001105730668 789289857 /nfs/dbraw/zinc/28/98/57/789289857.db2.gz SDIANMWJFWKUPP-INIZCTEOSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OC)nn1 ZINC001109769793 805953773 /nfs/dbraw/zinc/95/37/73/805953773.db2.gz VBEXRRLRODEZFF-PMPSAXMXSA-N 1 2 344.459 2.309 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(OC)nn1 ZINC001109769793 805953780 /nfs/dbraw/zinc/95/37/80/805953780.db2.gz VBEXRRLRODEZFF-PMPSAXMXSA-N 1 2 344.459 2.309 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001107954802 789813633 /nfs/dbraw/zinc/81/36/33/789813633.db2.gz GFGYUDAABQRLNF-SECBINFHSA-N 1 2 336.827 2.059 20 30 EEEDLO C=C[C@H](C)ONC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000845638650 789898043 /nfs/dbraw/zinc/89/80/43/789898043.db2.gz JOENUQDCWZGKDP-HNNXBMFYSA-N 1 2 333.432 2.337 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)CCCCC)C2 ZINC001109806691 806006672 /nfs/dbraw/zinc/00/66/72/806006672.db2.gz MBSJUBJOPVPBIW-MHORFTMASA-N 1 2 347.503 2.064 20 30 EEEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)CCCCC)C2 ZINC001109806691 806006682 /nfs/dbraw/zinc/00/66/82/806006682.db2.gz MBSJUBJOPVPBIW-MHORFTMASA-N 1 2 347.503 2.064 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001062960147 790047887 /nfs/dbraw/zinc/04/78/87/790047887.db2.gz QCIFUOAXNAYVOI-GOSISDBHSA-N 1 2 334.423 2.046 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N[C@H](C)CNc2nc(C)ccc2C#N)c[nH+]1 ZINC001108187601 790214681 /nfs/dbraw/zinc/21/46/81/790214681.db2.gz BFFGMFWZXNYJGH-CYBMUJFWSA-N 1 2 340.431 2.119 20 30 EEEDLO C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)C1CCN(CC#N)CC1 ZINC000997817544 791219914 /nfs/dbraw/zinc/21/99/14/791219914.db2.gz MUNAXDBUHMPHOP-HNNXBMFYSA-N 1 2 337.427 2.226 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1csc(C)n1)C2 ZINC001147131562 791691691 /nfs/dbraw/zinc/69/16/91/791691691.db2.gz JOVWUEVWPXYSEU-AWEZNQCLSA-N 1 2 349.500 2.467 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1csc(C)n1)C2 ZINC001147131562 791691696 /nfs/dbraw/zinc/69/16/96/791691696.db2.gz JOVWUEVWPXYSEU-AWEZNQCLSA-N 1 2 349.500 2.467 20 30 EEEDLO 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334.383 2.140 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2nccc3ccsc32)C1 ZINC001108007663 795498137 /nfs/dbraw/zinc/49/81/37/795498137.db2.gz CYWGJJPKABESQW-KRWDZBQOSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2nccc3ccsc32)C1 ZINC001108007663 795498138 /nfs/dbraw/zinc/49/81/38/795498138.db2.gz CYWGJJPKABESQW-KRWDZBQOSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001080029559 795507430 /nfs/dbraw/zinc/50/74/30/795507430.db2.gz GGBZZTJXROZJMF-IUODEOHRSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001080029559 795507437 /nfs/dbraw/zinc/50/74/37/795507437.db2.gz GGBZZTJXROZJMF-IUODEOHRSA-N 1 2 345.834 2.070 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)oc1C ZINC000993167785 795579053 /nfs/dbraw/zinc/57/90/53/795579053.db2.gz FZHMVDMFASQPIB-DOMZBBRYSA-N 1 2 341.415 2.274 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)oc1C ZINC000993167785 795579059 /nfs/dbraw/zinc/57/90/59/795579059.db2.gz FZHMVDMFASQPIB-DOMZBBRYSA-N 1 2 341.415 2.274 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3nc(C)no3)C[C@H]2C)cc1 ZINC001080246230 795754580 /nfs/dbraw/zinc/75/45/80/795754580.db2.gz YUGMXLLILQLYPN-PBFPGSCMSA-N 1 2 338.411 2.171 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3nc(C)no3)C[C@H]2C)cc1 ZINC001080246230 795754585 /nfs/dbraw/zinc/75/45/85/795754585.db2.gz YUGMXLLILQLYPN-PBFPGSCMSA-N 1 2 338.411 2.171 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(CC)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001080310382 795843522 /nfs/dbraw/zinc/84/35/22/795843522.db2.gz STILTXXPDVWWMF-CQSZACIVSA-N 1 2 332.448 2.004 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@@H+]1Cc1ccc(F)cn1 ZINC000993207753 795923094 /nfs/dbraw/zinc/92/30/94/795923094.db2.gz WVZVDNYOGAQNCP-SJKOYZFVSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1Cc1ccc(F)cn1 ZINC000993207753 795923096 /nfs/dbraw/zinc/92/30/96/795923096.db2.gz WVZVDNYOGAQNCP-SJKOYZFVSA-N 1 2 341.390 2.203 20 30 EEEDLO Cc1cnc(C[N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)s1 ZINC000993208312 795933352 /nfs/dbraw/zinc/93/33/52/795933352.db2.gz YFFWRUSCLNLDOV-IUODEOHRSA-N 1 2 343.456 2.434 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)s1 ZINC000993208312 795933355 /nfs/dbraw/zinc/93/33/55/795933355.db2.gz YFFWRUSCLNLDOV-IUODEOHRSA-N 1 2 343.456 2.434 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CCNc1cc[nH+]c(C)n1 ZINC001106601445 795936385 /nfs/dbraw/zinc/93/63/85/795936385.db2.gz IKOVKSLAKWKOGS-QRTARXTBSA-N 1 2 332.448 2.463 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC001080374945 795955104 /nfs/dbraw/zinc/95/51/04/795955104.db2.gz WRFDOFAFTMJWDC-PIGZYNQJSA-N 1 2 342.374 2.244 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC001080374945 795955109 /nfs/dbraw/zinc/95/51/09/795955109.db2.gz WRFDOFAFTMJWDC-PIGZYNQJSA-N 1 2 342.374 2.244 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(C)CCC(F)(F)CC2)C1 ZINC001108033142 796015621 /nfs/dbraw/zinc/01/56/21/796015621.db2.gz HVXADGSJHLVZAU-KRWDZBQOSA-N 1 2 342.430 2.432 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(C)CCC(F)(F)CC2)C1 ZINC001108033142 796015630 /nfs/dbraw/zinc/01/56/30/796015630.db2.gz HVXADGSJHLVZAU-KRWDZBQOSA-N 1 2 342.430 2.432 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(CC)C1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001080467573 796041525 /nfs/dbraw/zinc/04/15/25/796041525.db2.gz YCKGTVBIJLAVCF-IFXJQAMLSA-N 1 2 346.475 2.250 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(CC)C1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001080467573 796041531 /nfs/dbraw/zinc/04/15/31/796041531.db2.gz YCKGTVBIJLAVCF-IFXJQAMLSA-N 1 2 346.475 2.250 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@H](C)CCNc2cncc(C#N)n2)c(C)[nH+]1 ZINC001106659316 796065594 /nfs/dbraw/zinc/06/55/94/796065594.db2.gz ZLYFVHCFLLDWQE-GFCCVEGCSA-N 1 2 338.415 2.289 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCC[C@@H]3CCC)nn2)C1 ZINC001094299576 796098774 /nfs/dbraw/zinc/09/87/74/796098774.db2.gz BTGACPCPIOVEPV-WMLDXEAASA-N 1 2 331.464 2.153 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3C3CCCC3)nn2)C1 ZINC001094331551 796104604 /nfs/dbraw/zinc/10/46/04/796104604.db2.gz BNRFCQRHPVDEDB-ZWKOTPCHSA-N 1 2 343.475 2.153 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC[C@H](CC)CC3)nn2)C1 ZINC001094335802 796109376 /nfs/dbraw/zinc/10/93/76/796109376.db2.gz OGHQINVQCLOJNX-SHTZXODSSA-N 1 2 331.464 2.153 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)[C@@H]2C)cnn1 ZINC000993236386 796155621 /nfs/dbraw/zinc/15/56/21/796155621.db2.gz PWTLBFYHNGSLOC-DNVCBOLYSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)cnn1 ZINC000993236386 796155625 /nfs/dbraw/zinc/15/56/25/796155625.db2.gz PWTLBFYHNGSLOC-DNVCBOLYSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)[C@H]2C)nn1 ZINC000993359340 796456854 /nfs/dbraw/zinc/45/68/54/796456854.db2.gz PUJVGNKCLBIUIL-MAUKXSAKSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)[C@H]2C)nn1 ZINC000993359340 796456860 /nfs/dbraw/zinc/45/68/60/796456860.db2.gz PUJVGNKCLBIUIL-MAUKXSAKSA-N 1 2 349.438 2.440 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2nn(C)cc2Cl)[C@H]1C ZINC000993367186 796467236 /nfs/dbraw/zinc/46/72/36/796467236.db2.gz MSFNAFZORGPBRL-ZYHUDNBSSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2nn(C)cc2Cl)[C@H]1C ZINC000993367186 796467240 /nfs/dbraw/zinc/46/72/40/796467240.db2.gz MSFNAFZORGPBRL-ZYHUDNBSSA-N 1 2 331.247 2.409 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C1CC(C)C1 ZINC001081512996 796787359 /nfs/dbraw/zinc/78/73/59/796787359.db2.gz XLWHEGFCAAVMPA-CFSGWGOTSA-N 1 2 345.418 2.059 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C1CC(C)C1 ZINC001081512996 796787362 /nfs/dbraw/zinc/78/73/62/796787362.db2.gz XLWHEGFCAAVMPA-CFSGWGOTSA-N 1 2 345.418 2.059 20 30 EEEDLO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H](N1CC[NH2+]C[C@@H]1C#N)C2 ZINC001172087533 796867933 /nfs/dbraw/zinc/86/79/33/796867933.db2.gz BOEXCFUHGFUBLE-FZKCQIBNSA-N 1 2 334.464 2.104 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3cncc(OC)n3)[C@H]2C)C1 ZINC000993793583 796997959 /nfs/dbraw/zinc/99/79/59/796997959.db2.gz UUCWRIDHGZFUGC-HOCLYGCPSA-N 1 2 344.459 2.311 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3cncc(OC)n3)[C@H]2C)C1 ZINC000993793583 796997964 /nfs/dbraw/zinc/99/79/64/796997964.db2.gz UUCWRIDHGZFUGC-HOCLYGCPSA-N 1 2 344.459 2.311 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3ncn(C)c3n2)[C@H]1C ZINC000993830257 797061444 /nfs/dbraw/zinc/06/14/44/797061444.db2.gz MDQCOKWZVSEVJP-CHWSQXEVSA-N 1 2 347.850 2.304 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3ncn(C)c3n2)[C@H]1C ZINC000993830257 797061449 /nfs/dbraw/zinc/06/14/49/797061449.db2.gz MDQCOKWZVSEVJP-CHWSQXEVSA-N 1 2 347.850 2.304 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001061011980 797072807 /nfs/dbraw/zinc/07/28/07/797072807.db2.gz PVCQPDZYDJTBHD-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2nc(C)oc2C)CCCO1 ZINC001150085944 797102743 /nfs/dbraw/zinc/10/27/43/797102743.db2.gz VSFGZGDOUUQXQH-OAHLLOKOSA-N 1 2 335.448 2.211 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2nc(C)oc2C)CCCO1 ZINC001150085944 797102746 /nfs/dbraw/zinc/10/27/46/797102746.db2.gz VSFGZGDOUUQXQH-OAHLLOKOSA-N 1 2 335.448 2.211 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001095037921 797261865 /nfs/dbraw/zinc/26/18/65/797261865.db2.gz RXXPKVQLEDXAGH-RDTXWAMCSA-N 1 2 332.448 2.248 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001082197737 797288822 /nfs/dbraw/zinc/28/88/22/797288822.db2.gz FDHPQKTWBHWDML-KXBFYZLASA-N 1 2 346.475 2.360 20 30 EEEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)[C@@H]1C ZINC000994150187 797334837 /nfs/dbraw/zinc/33/48/37/797334837.db2.gz RULXDLCRKJXREC-BBRMVZONSA-N 1 2 325.416 2.240 20 30 EEEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)[C@@H]1C ZINC000994150187 797334849 /nfs/dbraw/zinc/33/48/49/797334849.db2.gz RULXDLCRKJXREC-BBRMVZONSA-N 1 2 325.416 2.240 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001082235804 797336090 /nfs/dbraw/zinc/33/60/90/797336090.db2.gz OABZJHGUCACMBV-ZBFHGGJFSA-N 1 2 332.448 2.052 20 30 EEEDLO Cc1cc(C)c(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCC#N)C2)c(C)[nH+]1 ZINC001099284265 797408030 /nfs/dbraw/zinc/40/80/30/797408030.db2.gz YEHBKUGXKNRNKW-CHWSQXEVSA-N 1 2 340.349 2.123 20 30 EEEDLO C=CC[C@@H]([NH2+]C1CCN(C(=O)c2ccc(OC)cc2)CC1)C(=O)OC ZINC001173401183 797412729 /nfs/dbraw/zinc/41/27/29/797412729.db2.gz DNCWYRPBXLBNOT-QGZVFWFLSA-N 1 2 346.427 2.007 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)cc2Cl)[C@H](OC)C1 ZINC001082340613 797462715 /nfs/dbraw/zinc/46/27/15/797462715.db2.gz VTUFCSUXEZOKMW-ZIAGYGMSSA-N 1 2 327.211 2.056 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)cc2Cl)[C@H](OC)C1 ZINC001082340613 797462718 /nfs/dbraw/zinc/46/27/18/797462718.db2.gz VTUFCSUXEZOKMW-ZIAGYGMSSA-N 1 2 327.211 2.056 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)[C@H](OC)C1 ZINC001082340426 797462923 /nfs/dbraw/zinc/46/29/23/797462923.db2.gz MHDHJLDBSXJBRF-ZIAGYGMSSA-N 1 2 327.211 2.056 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)[C@H](OC)C1 ZINC001082340426 797462927 /nfs/dbraw/zinc/46/29/27/797462927.db2.gz MHDHJLDBSXJBRF-ZIAGYGMSSA-N 1 2 327.211 2.056 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3nocc3C)[C@H]2C)cn1 ZINC000994246286 797518892 /nfs/dbraw/zinc/51/88/92/797518892.db2.gz CVOALQLYNZTPGP-WMLDXEAASA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3nocc3C)[C@H]2C)cn1 ZINC000994246286 797518900 /nfs/dbraw/zinc/51/89/00/797518900.db2.gz CVOALQLYNZTPGP-WMLDXEAASA-N 1 2 338.411 2.142 20 30 EEEDLO Cc1nn(C)cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095237450 797571541 /nfs/dbraw/zinc/57/15/41/797571541.db2.gz ASGCSNMSXMDOLT-NEWSRXKRSA-N 1 2 349.438 2.136 20 30 EEEDLO Cc1nn(C)cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095237450 797571546 /nfs/dbraw/zinc/57/15/46/797571546.db2.gz ASGCSNMSXMDOLT-NEWSRXKRSA-N 1 2 349.438 2.136 20 30 EEEDLO C=CCCC(=O)N1CCC(CNc2ncnc3c2C[N@H+](C)CC3)CC1 ZINC001095254350 797617842 /nfs/dbraw/zinc/61/78/42/797617842.db2.gz URBZYOMTLXHNDV-UHFFFAOYSA-N 1 2 343.475 2.081 20 30 EEEDLO C=CCCC(=O)N1CCC(CNc2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC001095254350 797617847 /nfs/dbraw/zinc/61/78/47/797617847.db2.gz URBZYOMTLXHNDV-UHFFFAOYSA-N 1 2 343.475 2.081 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](CCOc2cccc(C)c2)C1 ZINC001031316451 797663524 /nfs/dbraw/zinc/66/35/24/797663524.db2.gz LSFHYBLKSDZNJN-UHFFFAOYSA-N 1 2 348.446 2.398 20 30 EEEDLO C=C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnsn2)C1)c1ccccc1 ZINC001082937411 797758191 /nfs/dbraw/zinc/75/81/91/797758191.db2.gz VCQJXYLEADQZEL-XOKHGSTOSA-N 1 2 342.468 2.444 20 30 EEEDLO N#Cc1cccc(Cl)c1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001174492191 797768886 /nfs/dbraw/zinc/76/88/86/797768886.db2.gz PRKMMSLZIHBFBM-UHFFFAOYSA-N 1 2 331.807 2.484 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1occc1C ZINC001098893870 797770484 /nfs/dbraw/zinc/77/04/84/797770484.db2.gz BUFZQMHDHDRYBQ-OAHLLOKOSA-N 1 2 347.459 2.111 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1occc1C ZINC001098893870 797770489 /nfs/dbraw/zinc/77/04/89/797770489.db2.gz BUFZQMHDHDRYBQ-OAHLLOKOSA-N 1 2 347.459 2.111 20 30 EEEDLO N#Cc1ccc(Nc2cnn(CC[NH+]3CCOCC3)c2)c2cccnc12 ZINC001174493957 797770739 /nfs/dbraw/zinc/77/07/39/797770739.db2.gz NBXJYJZOUSDYNE-UHFFFAOYSA-N 1 2 348.410 2.379 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H](C)CCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001115050050 797839517 /nfs/dbraw/zinc/83/95/17/797839517.db2.gz MHBPVXKSVFADHK-LBPRGKRZSA-N 1 2 334.468 2.155 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-c4ccco4)o3)[C@H]2C1 ZINC001083139150 797890957 /nfs/dbraw/zinc/89/09/57/797890957.db2.gz JSLICJAECOBQQI-SUMWQHHRSA-N 1 2 328.368 2.251 20 30 EEEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-c4ccco4)o3)[C@H]2C1 ZINC001083139150 797890963 /nfs/dbraw/zinc/89/09/63/797890963.db2.gz JSLICJAECOBQQI-SUMWQHHRSA-N 1 2 328.368 2.251 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C(N)=O)cc2)[C@H]1C ZINC000994390850 797927726 /nfs/dbraw/zinc/92/77/26/797927726.db2.gz QYNJHLNLTBQJSA-DOMZBBRYSA-N 1 2 335.835 2.121 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(N)=O)cc2)[C@H]1C ZINC000994390850 797927727 /nfs/dbraw/zinc/92/77/27/797927727.db2.gz QYNJHLNLTBQJSA-DOMZBBRYSA-N 1 2 335.835 2.121 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(NC(C)=O)C(C)C)C2 ZINC001110175973 797932576 /nfs/dbraw/zinc/93/25/76/797932576.db2.gz FXCCGPWECJVUSJ-WBTNSWJXSA-N 1 2 341.883 2.011 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(NC(C)=O)C(C)C)C2 ZINC001110175973 797932579 /nfs/dbraw/zinc/93/25/79/797932579.db2.gz FXCCGPWECJVUSJ-WBTNSWJXSA-N 1 2 341.883 2.011 20 30 EEEDLO O=C(c1ccc[nH]1)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084184409 798035152 /nfs/dbraw/zinc/03/51/52/798035152.db2.gz HQAYBBCQEYABBU-VQIMIIECSA-N 1 2 337.398 2.352 20 30 EEEDLO O=C(c1ccc[nH]1)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084184409 798035161 /nfs/dbraw/zinc/03/51/61/798035161.db2.gz HQAYBBCQEYABBU-VQIMIIECSA-N 1 2 337.398 2.352 20 30 EEEDLO Cc1ocnc1C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001002422457 798056745 /nfs/dbraw/zinc/05/67/45/798056745.db2.gz DUEVQKSRDIXPPV-UHFFFAOYSA-N 1 2 342.374 2.388 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(=O)[nH]3)[C@@H]2C1 ZINC001084255522 798076107 /nfs/dbraw/zinc/07/61/07/798076107.db2.gz MPILENGAPFUSJQ-SJLPKXTDSA-N 1 2 348.406 2.005 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(=O)[nH]3)[C@@H]2C1 ZINC001084255522 798076114 /nfs/dbraw/zinc/07/61/14/798076114.db2.gz MPILENGAPFUSJQ-SJLPKXTDSA-N 1 2 348.406 2.005 20 30 EEEDLO CC[C@H](OC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084225479 798087442 /nfs/dbraw/zinc/08/74/42/798087442.db2.gz MLJAOYCIUDIOCA-OLMNPRSZSA-N 1 2 345.418 2.155 20 30 EEEDLO CC[C@H](OC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084225479 798087450 /nfs/dbraw/zinc/08/74/50/798087450.db2.gz MLJAOYCIUDIOCA-OLMNPRSZSA-N 1 2 345.418 2.155 20 30 EEEDLO N#Cc1cnn2cc(CNc3ccc([NH+]4CCC(O)CC4)cc3)cnc12 ZINC000917140024 798115976 /nfs/dbraw/zinc/11/59/76/798115976.db2.gz BTUSLMBORJXMFN-UHFFFAOYSA-N 1 2 348.410 2.174 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc(N(C)C)ccn2)[C@@H]1C ZINC000994513184 798123635 /nfs/dbraw/zinc/12/36/35/798123635.db2.gz YCENVGGXGXIECG-DZGCQCFKSA-N 1 2 336.867 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(N(C)C)ccn2)[C@@H]1C ZINC000994513184 798123638 /nfs/dbraw/zinc/12/36/38/798123638.db2.gz YCENVGGXGXIECG-DZGCQCFKSA-N 1 2 336.867 2.483 20 30 EEEDLO O=C(C#CC1CC1)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084333252 798154279 /nfs/dbraw/zinc/15/42/79/798154279.db2.gz KNJQBHIHSKOJMZ-UYAOXDASSA-N 1 2 336.410 2.123 20 30 EEEDLO O=C(C#CC1CC1)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084333252 798154280 /nfs/dbraw/zinc/15/42/80/798154280.db2.gz KNJQBHIHSKOJMZ-UYAOXDASSA-N 1 2 336.410 2.123 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccn(C(C)C)n3)[C@@H]2C1 ZINC001084535046 798261943 /nfs/dbraw/zinc/26/19/43/798261943.db2.gz DOAMXPWQSBVVMV-GDBMZVCRSA-N 1 2 336.867 2.292 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccn(C(C)C)n3)[C@@H]2C1 ZINC001084535046 798261948 /nfs/dbraw/zinc/26/19/48/798261948.db2.gz DOAMXPWQSBVVMV-GDBMZVCRSA-N 1 2 336.867 2.292 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3cncc(OC)n3)C[C@H]21 ZINC001084634772 798328001 /nfs/dbraw/zinc/32/80/01/798328001.db2.gz DJRRFJGZZDQBBO-IDHHARJASA-N 1 2 344.459 2.120 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](Cc3cncc(OC)n3)C[C@H]21 ZINC001084634772 798328006 /nfs/dbraw/zinc/32/80/06/798328006.db2.gz 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C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3csc(C)n3)[C@@H]2C1 ZINC001084817804 798477542 /nfs/dbraw/zinc/47/75/42/798477542.db2.gz VNQRIXGJWZETSZ-TZMCWYRMSA-N 1 2 325.865 2.279 20 30 EEEDLO CCCCCCCC[C@@H](C)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001176707356 798550246 /nfs/dbraw/zinc/55/02/46/798550246.db2.gz UNDJQHVIYOGNCO-OAHLLOKOSA-N 1 2 338.500 2.193 20 30 EEEDLO C=CCOCC(=O)NCc1cnn2c1C[N@H+](CCCCCC)CC2 ZINC001128259936 798576124 /nfs/dbraw/zinc/57/61/24/798576124.db2.gz ZVMMWMSFTLNFLO-UHFFFAOYSA-N 1 2 334.464 2.098 20 30 EEEDLO C=CCOCC(=O)NCc1cnn2c1C[N@@H+](CCCCCC)CC2 ZINC001128259936 798576126 /nfs/dbraw/zinc/57/61/26/798576126.db2.gz ZVMMWMSFTLNFLO-UHFFFAOYSA-N 1 2 334.464 2.098 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3nccn3C)[C@H]2C1 ZINC001085024141 798617115 /nfs/dbraw/zinc/61/71/15/798617115.db2.gz XYGGFDKBXXUDGT-JTDSTZFVSA-N 1 2 330.476 2.445 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nccn3C)[C@H]2C1 ZINC001085024141 798617118 /nfs/dbraw/zinc/61/71/18/798617118.db2.gz XYGGFDKBXXUDGT-JTDSTZFVSA-N 1 2 330.476 2.445 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001061147804 798621796 /nfs/dbraw/zinc/62/17/96/798621796.db2.gz YRQKUQCFCPKMBF-OAHLLOKOSA-N 1 2 344.459 2.006 20 30 EEEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](CC)OC)c2C1 ZINC001128273500 798626668 /nfs/dbraw/zinc/62/66/68/798626668.db2.gz HOWBEMMGHWROFY-SFHVURJKSA-N 1 2 348.491 2.486 20 30 EEEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@H](CC)OC)c2C1 ZINC001128273500 798626671 /nfs/dbraw/zinc/62/66/71/798626671.db2.gz HOWBEMMGHWROFY-SFHVURJKSA-N 1 2 348.491 2.486 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]3OCC[N@@H+](CCOCC)[C@H]3C2)CC1 ZINC001177101101 798750201 /nfs/dbraw/zinc/75/02/01/798750201.db2.gz JPGUQGCWECPXJO-ROUUACIJSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]3OCC[N@H+](CCOCC)[C@H]3C2)CC1 ZINC001177101101 798750208 /nfs/dbraw/zinc/75/02/08/798750208.db2.gz JPGUQGCWECPXJO-ROUUACIJSA-N 1 2 336.476 2.071 20 30 EEEDLO CCCCCCCCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001177140334 798768127 /nfs/dbraw/zinc/76/81/27/798768127.db2.gz YMSHARHIIMLEJZ-IAGOWNOFSA-N 1 2 326.481 2.031 20 30 EEEDLO CCCCCCCCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001177140334 798768132 /nfs/dbraw/zinc/76/81/32/798768132.db2.gz YMSHARHIIMLEJZ-IAGOWNOFSA-N 1 2 326.481 2.031 20 30 EEEDLO Cc1cc(NC[C@]2(C)CCN(C(=O)[C@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001065398399 798990393 /nfs/dbraw/zinc/99/03/93/798990393.db2.gz OWSWKASTGVLOKE-XIKOKIGWSA-N 1 2 327.432 2.473 20 30 EEEDLO C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)[C@H](F)C(C)C)C1 ZINC001177541485 799021233 /nfs/dbraw/zinc/02/12/33/799021233.db2.gz SORUGSFVQRYNSX-GOSISDBHSA-N 1 2 346.446 2.079 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001065704204 799350408 /nfs/dbraw/zinc/35/04/08/799350408.db2.gz KHJGLAXBNLWYNC-MRXNPFEDSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)CCC)CC2)C1 ZINC001065704781 799352758 /nfs/dbraw/zinc/35/27/58/799352758.db2.gz RQEMOBPWEICKBS-SFHVURJKSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)C(C)C)CC2)C1 ZINC001065705160 799353700 /nfs/dbraw/zinc/35/37/00/799353700.db2.gz VRYQTFBEQRFZQO-SFHVURJKSA-N 1 2 347.503 2.156 20 30 EEEDLO C=C(C)CCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)CC)C2)CC1 ZINC001065688142 799359503 /nfs/dbraw/zinc/35/95/03/799359503.db2.gz BLHWBVVGYPSIET-DLBZAZTESA-N 1 2 335.492 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC(C)=C(C)C)CC2)C1 ZINC001065695421 799375032 /nfs/dbraw/zinc/37/50/32/799375032.db2.gz VMNDHIDSXOPAPY-SFHVURJKSA-N 1 2 347.503 2.444 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC(C)C)CC2)C1 ZINC001065711529 799408459 /nfs/dbraw/zinc/40/84/59/799408459.db2.gz NQFLIAVNFRNURN-MSOLQXFVSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C(C)(C)C)C2)CC1 ZINC001065713617 799414264 /nfs/dbraw/zinc/41/42/64/799414264.db2.gz WLBVKAGWONAUQD-MRXNPFEDSA-N 1 2 335.492 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/nfs/dbraw/zinc/21/73/98/800217398.db2.gz NZOIBFKEOKVSSU-WOJBJXKFSA-N 1 2 349.434 2.232 20 30 EEEDLO CCc1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)n[nH]1 ZINC001032915519 800381303 /nfs/dbraw/zinc/38/13/03/800381303.db2.gz DBDLLNILOZTRAJ-QGZVFWFLSA-N 1 2 337.427 2.190 20 30 EEEDLO CCc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)n[nH]1 ZINC001032915519 800381309 /nfs/dbraw/zinc/38/13/09/800381309.db2.gz DBDLLNILOZTRAJ-QGZVFWFLSA-N 1 2 337.427 2.190 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001066279396 800794853 /nfs/dbraw/zinc/79/48/53/800794853.db2.gz USFHXOANYNMHEF-MRXNPFEDSA-N 1 2 345.443 2.096 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001181475396 800811318 /nfs/dbraw/zinc/81/13/18/800811318.db2.gz BXGBLOOYPSLVFJ-DZGCQCFKSA-N 1 2 333.432 2.224 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)sc1C ZINC001033020357 800838948 /nfs/dbraw/zinc/83/89/48/800838948.db2.gz OYFDHMDFXRSSHA-HNNXBMFYSA-N 1 2 343.456 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1 2 342.867 2.023 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H](NC(C)=O)C1CCCC1)C1CC1 ZINC001437794547 1090381112 /nfs/dbraw/zinc/38/11/12/1090381112.db2.gz VAMMBTMPXKGKHF-MRXNPFEDSA-N 1 2 341.883 2.014 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H](NC(C)=O)C1CCCC1)C1CC1 ZINC001437794547 1090381119 /nfs/dbraw/zinc/38/11/19/1090381119.db2.gz VAMMBTMPXKGKHF-MRXNPFEDSA-N 1 2 341.883 2.014 20 30 EEEDLO CC(=O)CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001438010316 1090605659 /nfs/dbraw/zinc/60/56/59/1090605659.db2.gz UIJOJAXYDPIXMH-GOSISDBHSA-N 1 2 327.428 2.398 20 30 EEEDLO CC(=O)CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001438010316 1090605663 /nfs/dbraw/zinc/60/56/63/1090605663.db2.gz UIJOJAXYDPIXMH-GOSISDBHSA-N 1 2 327.428 2.398 20 30 EEEDLO CCO[C@@H](CC)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001438115832 1090647942 /nfs/dbraw/zinc/64/79/42/1090647942.db2.gz PIOLOYAZDKKYGL-KRWDZBQOSA-N 1 2 333.407 2.060 20 30 EEEDLO CC(=O)CCCC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C#N)cc1F ZINC001445685817 1091483178 /nfs/dbraw/zinc/48/31/78/1091483178.db2.gz CXBKNZQLXIEXQT-ZDUSSCGKSA-N 1 2 333.407 2.393 20 30 EEEDLO CC(=O)CCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001445685817 1091483181 /nfs/dbraw/zinc/48/31/81/1091483181.db2.gz CXBKNZQLXIEXQT-ZDUSSCGKSA-N 1 2 333.407 2.393 20 30 EEEDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(CNC(=O)[C@H](C)C#N)cc2)o1 ZINC001495485027 1101196292 /nfs/dbraw/zinc/19/62/92/1101196292.db2.gz GQVSVFSEVBNHLD-NEPJUHHUSA-N 1 2 327.388 2.005 20 30 EEEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001496679878 1101278438 /nfs/dbraw/zinc/27/84/38/1101278438.db2.gz NFZKTLPPDWWFKN-JKSUJKDBSA-N 1 2 344.459 2.180 20 30 EEEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001496679878 1101278444 /nfs/dbraw/zinc/27/84/44/1101278444.db2.gz NFZKTLPPDWWFKN-JKSUJKDBSA-N 1 2 344.459 2.180 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](C)Cc1c(C)n[nH]c1C ZINC001496840230 1101575247 /nfs/dbraw/zinc/57/52/47/1101575247.db2.gz WUZIVPULXDWPQJ-LLVKDONJSA-N 1 2 326.872 2.348 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](C)Cc1c(C)n[nH]c1C ZINC001496840230 1101575260 /nfs/dbraw/zinc/57/52/60/1101575260.db2.gz WUZIVPULXDWPQJ-LLVKDONJSA-N 1 2 326.872 2.348 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)CCc2cccnc2)s1 ZINC001499015949 1108457805 /nfs/dbraw/zinc/45/78/05/1108457805.db2.gz XOZNWADJSIDTJB-HNNXBMFYSA-N 1 2 340.452 2.338 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)CCc2cccnc2)s1 ZINC001499015949 1108457812 /nfs/dbraw/zinc/45/78/12/1108457812.db2.gz XOZNWADJSIDTJB-HNNXBMFYSA-N 1 2 340.452 2.338 20 30 EEEDLO C#CCN(CC)c1nnc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC(=C)C ZINC001516033715 1118994014 /nfs/dbraw/zinc/99/40/14/1118994014.db2.gz QJPCZSDDIYTVTP-IAGOWNOFSA-N 1 2 343.475 2.240 20 30 EEEDLO C#CCN(CC)c1nnc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC(=C)C ZINC001516033715 1118994016 /nfs/dbraw/zinc/99/40/16/1118994016.db2.gz QJPCZSDDIYTVTP-IAGOWNOFSA-N 1 2 343.475 2.240 20 30 EEEDLO C#C[C@@H](C)N(C)c1nnc(Cc2[nH+]ccn2C)n1CCc1ccccc1 ZINC001522281820 1119352910 /nfs/dbraw/zinc/35/29/10/1119352910.db2.gz ZYHRZIRFZHQUSQ-MRXNPFEDSA-N 1 2 348.454 2.303 20 30 EEEDLO C=C(Cn1c(C)nnc1N(C)CC[NH+]1CCOCC1)c1ccccc1 ZINC001539764889 1124065749 /nfs/dbraw/zinc/06/57/49/1124065749.db2.gz BBXLHTJRUDYSAF-UHFFFAOYSA-N 1 2 341.459 2.068 20 30 EEEDLO C[N@@H+]1CCc2nc(NC(=O)Cc3cccc(OCC#N)c3)sc2C1 ZINC000089601113 529814486 /nfs/dbraw/zinc/81/44/86/529814486.db2.gz QFOCMGJBSKGZTQ-UHFFFAOYSA-N 1 2 342.424 2.215 20 30 EEEDLO C[N@H+]1CCc2nc(NC(=O)Cc3cccc(OCC#N)c3)sc2C1 ZINC000089601113 529814487 /nfs/dbraw/zinc/81/44/87/529814487.db2.gz QFOCMGJBSKGZTQ-UHFFFAOYSA-N 1 2 342.424 2.215 20 30 EEEDLO C[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000330071740 539787422 /nfs/dbraw/zinc/78/74/22/539787422.db2.gz JDXFFEKLCIIAAB-IDHHARJASA-N 1 2 346.427 2.347 20 30 EEEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000330071740 539787425 /nfs/dbraw/zinc/78/74/25/539787425.db2.gz JDXFFEKLCIIAAB-IDHHARJASA-N 1 2 346.427 2.347 20 30 EEEDLO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)c1C ZINC000052636144 236926480 /nfs/dbraw/zinc/92/64/80/236926480.db2.gz YJEGYRRLCNMFBL-KRWDZBQOSA-N 1 2 328.460 2.186 20 30 EEEDLO N#C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000106329617 237111589 /nfs/dbraw/zinc/11/15/89/237111589.db2.gz QSCOAOWCXAFUGC-GOSISDBHSA-N 1 2 342.443 2.106 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000193158843 237371274 /nfs/dbraw/zinc/37/12/74/237371274.db2.gz SWXAMQAXEAJELC-CQSZACIVSA-N 1 2 349.862 2.384 20 30 EEEDLO C#CCCCCC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000179876770 201031958 /nfs/dbraw/zinc/03/19/58/201031958.db2.gz LFAKWFAZGLWIKJ-UHFFFAOYSA-N 1 2 344.455 2.207 20 30 EEEDLO C=CCCCCCN(C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000267217302 201221328 /nfs/dbraw/zinc/22/13/28/201221328.db2.gz UTROWMSTUQGGKZ-UHFFFAOYSA-N 1 2 349.479 2.425 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1ccc(CN2CCOCC2)cc1)C1CC1 ZINC000271533762 201244885 /nfs/dbraw/zinc/24/48/85/201244885.db2.gz XSRBGXZWWHIRBW-UHFFFAOYSA-N 1 2 329.444 2.108 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1ccc(CN2CCOCC2)cc1)C1CC1 ZINC000271533762 201244888 /nfs/dbraw/zinc/24/48/88/201244888.db2.gz XSRBGXZWWHIRBW-UHFFFAOYSA-N 1 2 329.444 2.108 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1nncn1C ZINC000275032427 201275994 /nfs/dbraw/zinc/27/59/94/201275994.db2.gz AQAPRAMXWKNWBV-STQMWFEESA-N 1 2 333.461 2.131 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(-c3cnn(C)c3C)no2)n1 ZINC000279726936 201322068 /nfs/dbraw/zinc/32/20/68/201322068.db2.gz MQAACPMFZYKRFI-UHFFFAOYSA-N 1 2 338.415 2.235 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(-c3cnn(C)c3C)no2)n1 ZINC000279726936 201322072 /nfs/dbraw/zinc/32/20/72/201322072.db2.gz MQAACPMFZYKRFI-UHFFFAOYSA-N 1 2 338.415 2.235 20 30 EEEDLO N#Cc1cccc(CS(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000126029896 205037397 /nfs/dbraw/zinc/03/73/97/205037397.db2.gz QMMUHEMHBNFWJP-OAHLLOKOSA-N 1 2 330.413 2.338 20 30 EEEDLO C#CCn1ccc(CN(CC)C(=O)Cc2cn3cccc(C)c3[nH+]2)n1 ZINC000491742622 246133576 /nfs/dbraw/zinc/13/35/76/246133576.db2.gz SZLLOWLJOGPHKC-UHFFFAOYSA-N 1 2 335.411 2.064 20 30 EEEDLO Cc1cc(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cc[nH+]1 ZINC000496227647 247391646 /nfs/dbraw/zinc/39/16/46/247391646.db2.gz MSHDNVADDDZYDT-AWEZNQCLSA-N 1 2 332.404 2.338 20 30 EEEDLO C=CC[N@@H+](Cc1c[nH]nc1-c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000092361315 218136040 /nfs/dbraw/zinc/13/60/40/218136040.db2.gz DNUHYLKDXYNSAC-CQSZACIVSA-N 1 2 349.431 2.391 20 30 EEEDLO C=CC[N@H+](Cc1c[nH]nc1-c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000092361315 218136043 /nfs/dbraw/zinc/13/60/43/218136043.db2.gz DNUHYLKDXYNSAC-CQSZACIVSA-N 1 2 349.431 2.391 20 30 EEEDLO C=CCN(Cc1c[nH+]c(C)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361317 218136409 /nfs/dbraw/zinc/13/64/09/218136409.db2.gz JJOURFMMJLMPBB-QGZVFWFLSA-N 1 2 345.468 2.356 20 30 EEEDLO CNC(=O)CC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000177363146 207327035 /nfs/dbraw/zinc/32/70/35/207327035.db2.gz NYMVBZHHUMUSSY-UHFFFAOYSA-N 1 2 348.472 2.023 20 30 EEEDLO Cc1ccnc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1C#N ZINC000273090803 256264271 /nfs/dbraw/zinc/26/42/71/256264271.db2.gz ZWLFRHRGUYTUAD-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N(CCC)CC(=O)Nc1ccccc1C ZINC000491670862 533284789 /nfs/dbraw/zinc/28/47/89/533284789.db2.gz POJNIVQVOMCJJA-INIZCTEOSA-N 1 2 329.444 2.126 20 30 EEEDLO C#C[C@H](C)[N@H+](C)CC(=O)N(CCC)CC(=O)Nc1ccccc1C ZINC000491670862 533284794 /nfs/dbraw/zinc/28/47/94/533284794.db2.gz POJNIVQVOMCJJA-INIZCTEOSA-N 1 2 329.444 2.126 20 30 EEEDLO C#C[C@H](CCC)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000491695208 533310058 /nfs/dbraw/zinc/31/00/58/533310058.db2.gz XAEBTJAFDBUITB-MSOLQXFVSA-N 1 2 329.444 2.161 20 30 EEEDLO CCCCN(CC)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554791 159252324 /nfs/dbraw/zinc/25/23/24/159252324.db2.gz LAQGJRIDLUAMLB-UHFFFAOYSA-N 1 2 328.460 2.329 20 30 EEEDLO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554471 159252507 /nfs/dbraw/zinc/25/25/07/159252507.db2.gz XWBPFVPBDQZALX-OAHLLOKOSA-N 1 2 328.460 2.374 20 30 EEEDLO C[C@@H]1C[NH+](CCN(C)C(=O)CSc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000345403535 161299300 /nfs/dbraw/zinc/29/93/00/161299300.db2.gz OBKYMMGPKVCACP-HUUCEWRRSA-N 1 2 347.484 2.218 20 30 EEEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](COC(F)F)C2)c(C#N)c1C ZINC000353021912 162395656 /nfs/dbraw/zinc/39/56/56/162395656.db2.gz KXSFLMQKUIUSBE-NSHDSACASA-N 1 2 327.331 2.268 20 30 EEEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](COC(F)F)C2)c(C#N)c1C ZINC000353021912 162395659 /nfs/dbraw/zinc/39/56/59/162395659.db2.gz KXSFLMQKUIUSBE-NSHDSACASA-N 1 2 327.331 2.268 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)s1 ZINC000295977233 270018344 /nfs/dbraw/zinc/01/83/44/270018344.db2.gz JTODLIFPVCCPNZ-UHFFFAOYSA-N 1 2 329.385 2.245 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271873796 267074052 /nfs/dbraw/zinc/07/40/52/267074052.db2.gz OTOBJIAHOBYVRS-QAPCUYQASA-N 1 2 327.428 2.018 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)CCO1 ZINC000275224511 267833895 /nfs/dbraw/zinc/83/38/95/267833895.db2.gz ATYJOKFXQCUZFG-XJKSGUPXSA-N 1 2 343.362 2.473 20 30 EEEDLO N#Cc1ccc(OC2CC[NH+](Cc3nnnn3C3CC3)CC2)c(F)c1 ZINC000285542930 268167175 /nfs/dbraw/zinc/16/71/75/268167175.db2.gz QQJFHPLFWPZMEF-UHFFFAOYSA-N 1 2 342.378 2.062 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c(Cl)c1 ZINC000439436377 268217261 /nfs/dbraw/zinc/21/72/61/268217261.db2.gz WSZWUXLTHMICMO-KRWDZBQOSA-N 1 2 347.846 2.425 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c(Cl)c1 ZINC000439436377 268217262 /nfs/dbraw/zinc/21/72/62/268217262.db2.gz WSZWUXLTHMICMO-KRWDZBQOSA-N 1 2 347.846 2.425 20 30 EEEDLO CC(C)(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1cc(F)cc(C#N)c1 ZINC000552160843 318501124 /nfs/dbraw/zinc/50/11/24/318501124.db2.gz DXCDJNFIQCVHPA-OAHLLOKOSA-N 1 2 326.375 2.303 20 30 EEEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000567095642 319347573 /nfs/dbraw/zinc/34/75/73/319347573.db2.gz NGDQYIGSRADSGS-DOTOQJQBSA-N 1 2 335.411 2.446 20 30 EEEDLO Cc1oncc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000181748267 323354555 /nfs/dbraw/zinc/35/45/55/323354555.db2.gz SGJGPESJOQSZCV-UHFFFAOYSA-N 1 2 339.355 2.425 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000328777253 465125897 /nfs/dbraw/zinc/12/58/97/465125897.db2.gz CZFPHLGDFNRKFG-BARDWOONSA-N 1 2 330.432 2.081 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000328847401 465145183 /nfs/dbraw/zinc/14/51/83/465145183.db2.gz SMQQDCAKTTXOAK-JKSUJKDBSA-N 1 2 336.457 2.042 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000328847401 465145185 /nfs/dbraw/zinc/14/51/85/465145185.db2.gz SMQQDCAKTTXOAK-JKSUJKDBSA-N 1 2 336.457 2.042 20 30 EEEDLO O=C(NCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)NC1CCCCC1 ZINC000328922600 465169374 /nfs/dbraw/zinc/16/93/74/465169374.db2.gz UMAQWYWYIGIOBD-CYBMUJFWSA-N 1 2 333.436 2.238 20 30 EEEDLO C#CCOc1ccc(CNC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000297102038 465245026 /nfs/dbraw/zinc/24/50/26/465245026.db2.gz QHDOVQDORFGADR-UHFFFAOYSA-N 1 2 326.400 2.127 20 30 EEEDLO C=CCN(C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)C1CC1 ZINC000355501384 465253286 /nfs/dbraw/zinc/25/32/86/465253286.db2.gz CUXOHAYJNKXETQ-QGZVFWFLSA-N 1 2 344.459 2.194 20 30 EEEDLO C=CCN(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)C1CC1 ZINC000355501384 465253290 /nfs/dbraw/zinc/25/32/90/465253290.db2.gz CUXOHAYJNKXETQ-QGZVFWFLSA-N 1 2 344.459 2.194 20 30 EEEDLO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000329205493 465267240 /nfs/dbraw/zinc/26/72/40/465267240.db2.gz DKCUUZBYRJJNRG-YWPYICTPSA-N 1 2 333.436 2.235 20 30 EEEDLO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000329205493 465267244 /nfs/dbraw/zinc/26/72/44/465267244.db2.gz DKCUUZBYRJJNRG-YWPYICTPSA-N 1 2 333.436 2.235 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(SC)cc2)C1=O ZINC000337283078 465284567 /nfs/dbraw/zinc/28/45/67/465284567.db2.gz XTHGBSGAWRVLQQ-OAHLLOKOSA-N 1 2 333.457 2.066 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(SC)cc2)C1=O ZINC000337283078 465284571 /nfs/dbraw/zinc/28/45/71/465284571.db2.gz XTHGBSGAWRVLQQ-OAHLLOKOSA-N 1 2 333.457 2.066 20 30 EEEDLO C=C[C@@H]1CCCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000356058548 465289066 /nfs/dbraw/zinc/28/90/66/465289066.db2.gz OZDLLHFYLVWPLW-CVEARBPZSA-N 1 2 332.448 2.050 20 30 EEEDLO C=C[C@@H]1CCCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000356058548 465289072 /nfs/dbraw/zinc/28/90/72/465289072.db2.gz OZDLLHFYLVWPLW-CVEARBPZSA-N 1 2 332.448 2.050 20 30 EEEDLO O=C(NC[C@@H]1COc2ccccc2O1)C1([NH+]2CCOCC2)CCC1 ZINC000329292374 465290254 /nfs/dbraw/zinc/29/02/54/465290254.db2.gz IYUFZSMTEFEVEE-CQSZACIVSA-N 1 2 332.400 2.038 20 30 EEEDLO O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329328526 465300942 /nfs/dbraw/zinc/30/09/42/465300942.db2.gz UYDYDXZMRUYXET-CABCVRRESA-N 1 2 345.447 2.082 20 30 EEEDLO Cc1cc(C(=O)NCCNc2cccc[nH+]2)nn1-c1cccc(C#N)c1 ZINC000356319576 465310927 /nfs/dbraw/zinc/31/09/27/465310927.db2.gz ZIXRXGNOSMHYAZ-UHFFFAOYSA-N 1 2 346.394 2.289 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351817186 465378831 /nfs/dbraw/zinc/37/88/31/465378831.db2.gz VMDNGNWBCQEOMJ-NFAWXSAZSA-N 1 2 333.457 2.189 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351817186 465378835 /nfs/dbraw/zinc/37/88/35/465378835.db2.gz VMDNGNWBCQEOMJ-NFAWXSAZSA-N 1 2 333.457 2.189 20 30 EEEDLO CN(CC(C)(C)C#N)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000342933749 465398205 /nfs/dbraw/zinc/39/82/05/465398205.db2.gz JCBSUCWUVWYPKC-UHFFFAOYSA-N 1 2 339.399 2.034 20 30 EEEDLO C#CC[N@@H+](C/C(C)=C/c1ccccc1COC)[C@H]1CCS(=O)(=O)C1 ZINC000491178778 468314780 /nfs/dbraw/zinc/31/47/80/468314780.db2.gz BGNJJULGNABDLN-BAILOTOSSA-N 1 2 347.480 2.359 20 30 EEEDLO C#CC[N@H+](C/C(C)=C/c1ccccc1COC)[C@H]1CCS(=O)(=O)C1 ZINC000491178778 468314785 /nfs/dbraw/zinc/31/47/85/468314785.db2.gz BGNJJULGNABDLN-BAILOTOSSA-N 1 2 347.480 2.359 20 30 EEEDLO C[C@H]1CCN(C(=O)Nc2ccn(CCC#N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000130592309 462766462 /nfs/dbraw/zinc/76/64/62/462766462.db2.gz ZHTQEUVEXINUMR-KBPBESRZSA-N 1 2 327.392 2.108 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)CC1=Cc2ccccc2OC1 ZINC000154801333 462809669 /nfs/dbraw/zinc/80/96/69/462809669.db2.gz HQJNGMUDWOKYDO-UHFFFAOYSA-N 1 2 327.428 2.010 20 30 EEEDLO C[C@H]1CCCN(C(=O)C[NH+]2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000048041539 462852210 /nfs/dbraw/zinc/85/22/10/462852210.db2.gz HXGLNANVTDQIGW-HNNXBMFYSA-N 1 2 344.434 2.078 20 30 EEEDLO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000155276926 462869014 /nfs/dbraw/zinc/86/90/14/462869014.db2.gz PUCREDDZLZPKKR-CXAGYDPISA-N 1 2 331.416 2.291 20 30 EEEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000155276926 462869017 /nfs/dbraw/zinc/86/90/17/462869017.db2.gz PUCREDDZLZPKKR-CXAGYDPISA-N 1 2 331.416 2.291 20 30 EEEDLO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)C#N)c1 ZINC000066469272 462893090 /nfs/dbraw/zinc/89/30/90/462893090.db2.gz PQISQUZTELGBQE-IHRRRGAJSA-N 1 2 333.432 2.361 20 30 EEEDLO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000066469272 462893094 /nfs/dbraw/zinc/89/30/94/462893094.db2.gz PQISQUZTELGBQE-IHRRRGAJSA-N 1 2 333.432 2.361 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000076748314 462907494 /nfs/dbraw/zinc/90/74/94/462907494.db2.gz PXHYKQITUZTUHY-INIZCTEOSA-N 1 2 339.443 2.312 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000076748314 462907498 /nfs/dbraw/zinc/90/74/98/462907498.db2.gz PXHYKQITUZTUHY-INIZCTEOSA-N 1 2 339.443 2.312 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1ccc(Br)o1 ZINC000076949704 462925958 /nfs/dbraw/zinc/92/59/58/462925958.db2.gz CGGBYNNXSYXRFD-UHFFFAOYSA-N 1 2 328.210 2.236 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1ccc(Br)o1 ZINC000076949704 462925963 /nfs/dbraw/zinc/92/59/63/462925963.db2.gz CGGBYNNXSYXRFD-UHFFFAOYSA-N 1 2 328.210 2.236 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000066869926 462939158 /nfs/dbraw/zinc/93/91/58/462939158.db2.gz SMOCUFMZPNRJEV-UHFFFAOYSA-N 1 2 334.851 2.058 20 30 EEEDLO COc1ccc(C#N)cc1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000050108231 462988091 /nfs/dbraw/zinc/98/80/91/462988091.db2.gz RGGDHMBMNHZFLX-UHFFFAOYSA-N 1 2 325.372 2.350 20 30 EEEDLO C#CCNC(=O)[C@@H](C)Sc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000021911186 463042900 /nfs/dbraw/zinc/04/29/00/463042900.db2.gz LIEVISYLSPLUQP-GFCCVEGCSA-N 1 2 337.408 2.046 20 30 EEEDLO CCNC(=O)C[N@H+](CC)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000078275553 463098624 /nfs/dbraw/zinc/09/86/24/463098624.db2.gz VAUAICRGXODPSD-UHFFFAOYSA-N 1 2 344.459 2.008 20 30 EEEDLO CCNC(=O)C[N@@H+](CC)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000078275553 463098628 /nfs/dbraw/zinc/09/86/28/463098628.db2.gz VAUAICRGXODPSD-UHFFFAOYSA-N 1 2 344.459 2.008 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000052685872 463099817 /nfs/dbraw/zinc/09/98/17/463099817.db2.gz HJPPSQPTCAFRHQ-IBGZPJMESA-N 1 2 339.443 2.359 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000052685872 463099820 /nfs/dbraw/zinc/09/98/20/463099820.db2.gz HJPPSQPTCAFRHQ-IBGZPJMESA-N 1 2 339.443 2.359 20 30 EEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc(Br)cc1F ZINC000078670540 463139519 /nfs/dbraw/zinc/13/95/19/463139519.db2.gz HQWVQWHQXALAAD-UHFFFAOYSA-N 1 2 346.200 2.292 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000121951397 463223293 /nfs/dbraw/zinc/22/32/93/463223293.db2.gz APJRLWJBZGAXJO-INIZCTEOSA-N 1 2 331.416 2.144 20 30 EEEDLO C#C[C@H]1COCCN1C(=O)CCn1c(CCC)[nH+]c2ccccc21 ZINC000491297888 468344505 /nfs/dbraw/zinc/34/45/05/468344505.db2.gz SGGOOUMHVMZMJO-HNNXBMFYSA-N 1 2 325.412 2.240 20 30 EEEDLO Cc1cccc(NC(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1C ZINC000029443757 463257732 /nfs/dbraw/zinc/25/77/32/463257732.db2.gz JOQQKTVUENFMRW-UHFFFAOYSA-N 1 2 349.438 2.331 20 30 EEEDLO CNC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2sccc2C#N)cc1 ZINC000029929788 463279923 /nfs/dbraw/zinc/27/99/23/463279923.db2.gz HMUTZQAPGQXBJZ-UHFFFAOYSA-N 1 2 342.424 2.050 20 30 EEEDLO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2sccc2C#N)cc1 ZINC000029929788 463279928 /nfs/dbraw/zinc/27/99/28/463279928.db2.gz HMUTZQAPGQXBJZ-UHFFFAOYSA-N 1 2 342.424 2.050 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)CNc1cccc(C#N)c1 ZINC000151117617 463479302 /nfs/dbraw/zinc/47/93/02/463479302.db2.gz SPJHDNCKUIIOGE-UHFFFAOYSA-N 1 2 333.395 2.445 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)NCc2sccc2C)cc1 ZINC000151290656 463508026 /nfs/dbraw/zinc/50/80/26/463508026.db2.gz UZIJJDUDCPBFQJ-UHFFFAOYSA-N 1 2 347.440 2.213 20 30 EEEDLO Cc1ccsc1CNC(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000151295932 463508293 /nfs/dbraw/zinc/50/82/93/463508293.db2.gz OBNNFPIPUSXYPZ-UHFFFAOYSA-N 1 2 335.404 2.457 20 30 EEEDLO COc1ccccc1N1C(=O)C[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1=O ZINC000125847367 463585575 /nfs/dbraw/zinc/58/55/75/463585575.db2.gz RDOSLDASDKLBJI-KRWDZBQOSA-N 1 2 349.390 2.331 20 30 EEEDLO COc1ccccc1N1C(=O)C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1=O ZINC000125847367 463585581 /nfs/dbraw/zinc/58/55/81/463585581.db2.gz RDOSLDASDKLBJI-KRWDZBQOSA-N 1 2 349.390 2.331 20 30 EEEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)NCC#N)[C@@H](c1ccccc1)C2 ZINC000177460201 463710144 /nfs/dbraw/zinc/71/01/44/463710144.db2.gz CSLHKXJZNMDRQJ-LJQANCHMSA-N 1 2 335.407 2.434 20 30 EEEDLO COc1ccc2c(c1)C[N@H+](CC(=O)NCC#N)[C@@H](c1ccccc1)C2 ZINC000177460201 463710149 /nfs/dbraw/zinc/71/01/49/463710149.db2.gz CSLHKXJZNMDRQJ-LJQANCHMSA-N 1 2 335.407 2.434 20 30 EEEDLO COc1cccc(C(N)=[NH+]OCC(=O)N([C@H](C)C2CC2)C2CC2)c1 ZINC000177504334 463722324 /nfs/dbraw/zinc/72/23/24/463722324.db2.gz YGJOMUWZGGPVHQ-GFCCVEGCSA-N 1 2 331.416 2.122 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)Cn1ncc2c1nc[nH+]c2NC ZINC000193758967 463737810 /nfs/dbraw/zinc/73/78/10/463737810.db2.gz ISRYJQUSRAKSAQ-CQSZACIVSA-N 1 2 339.399 2.036 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)nc1 ZINC000193773610 463739033 /nfs/dbraw/zinc/73/90/33/463739033.db2.gz NDZUCFVFFVWEGP-UHFFFAOYSA-N 1 2 346.394 2.325 20 30 EEEDLO C#CCC(C)(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000185142363 463761609 /nfs/dbraw/zinc/76/16/09/463761609.db2.gz ZKOLNKQJJZUFOL-UHFFFAOYSA-N 1 2 341.455 2.255 20 30 EEEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nc(C(C)(C)C)no1 ZINC000185155162 463764692 /nfs/dbraw/zinc/76/46/92/463764692.db2.gz YDSKAQKJNBDJHI-LBPRGKRZSA-N 1 2 333.436 2.360 20 30 EEEDLO CCCCCCCCNC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000283149791 463782290 /nfs/dbraw/zinc/78/22/90/463782290.db2.gz CGHSFWLFZACBLZ-UHFFFAOYSA-N 1 2 330.432 2.427 20 30 EEEDLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268658853 463786971 /nfs/dbraw/zinc/78/69/71/463786971.db2.gz LQNOBVPOUWNNQW-RTBURBONSA-N 1 2 336.391 2.192 20 30 EEEDLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268658853 463786973 /nfs/dbraw/zinc/78/69/73/463786973.db2.gz LQNOBVPOUWNNQW-RTBURBONSA-N 1 2 336.391 2.192 20 30 EEEDLO Cc1nc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)ccc1C#N ZINC000278036056 463941891 /nfs/dbraw/zinc/94/18/91/463941891.db2.gz KUYRTPRXAQXFLR-UKRRQHHQSA-N 1 2 325.372 2.238 20 30 EEEDLO Cc1nc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)ccc1C#N ZINC000278036056 463941897 /nfs/dbraw/zinc/94/18/97/463941897.db2.gz KUYRTPRXAQXFLR-UKRRQHHQSA-N 1 2 325.372 2.238 20 30 EEEDLO CC[C@H](C)NC(=O)CN1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186290386 463970341 /nfs/dbraw/zinc/97/03/41/463970341.db2.gz WOUZMNQHOQRJBJ-HOTGVXAUSA-N 1 2 328.460 2.152 20 30 EEEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc([S@](C)=O)cc1 ZINC000178800572 463977638 /nfs/dbraw/zinc/97/76/38/463977638.db2.gz YHTDYPRULRNJSW-QHCPKHFHSA-N 1 2 347.465 2.428 20 30 EEEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc([S@](C)=O)cc1 ZINC000178800572 463977642 /nfs/dbraw/zinc/97/76/42/463977642.db2.gz YHTDYPRULRNJSW-QHCPKHFHSA-N 1 2 347.465 2.428 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000195066678 463985497 /nfs/dbraw/zinc/98/54/97/463985497.db2.gz CXSGFCUQBATKPZ-JSGCOSHPSA-N 1 2 344.440 2.222 20 30 EEEDLO NC(=[NH+]OCc1nc(-c2cc(F)c(F)c(F)c2)no1)[C@H]1CCCO1 ZINC000283981067 464057933 /nfs/dbraw/zinc/05/79/33/464057933.db2.gz GRVYVWWGYZKDIE-SNVBAGLBSA-N 1 2 342.277 2.122 20 30 EEEDLO Cc1nsc(N2CC[NH+](C[C@@H](O)c3ccccc3F)CC2)c1C#N ZINC000289378679 464075221 /nfs/dbraw/zinc/07/52/21/464075221.db2.gz CBZQIPYKHOEQNW-MRXNPFEDSA-N 1 2 346.431 2.318 20 30 EEEDLO N#CCC1CC[NH+](Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC1 ZINC000542883249 468390378 /nfs/dbraw/zinc/39/03/78/468390378.db2.gz NVDRHZBSOXEXAX-UHFFFAOYSA-N 1 2 341.394 2.462 20 30 EEEDLO Cc1cccc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C#N ZINC000269800821 464099649 /nfs/dbraw/zinc/09/96/49/464099649.db2.gz LDBRHBXIMAARTI-ZDUSSCGKSA-N 1 2 330.413 2.158 20 30 EEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000280719445 464239642 /nfs/dbraw/zinc/23/96/42/464239642.db2.gz BYNMNMVNLXZXKX-QAPCUYQASA-N 1 2 331.464 2.484 20 30 EEEDLO CC(C)(C)c1nnc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)[nH]1 ZINC000292668910 464304626 /nfs/dbraw/zinc/30/46/26/464304626.db2.gz QJODBOSPNBWBEO-UHFFFAOYSA-N 1 2 338.459 2.292 20 30 EEEDLO CC(C)(C)c1nc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n[nH]1 ZINC000292668910 464304630 /nfs/dbraw/zinc/30/46/30/464304630.db2.gz QJODBOSPNBWBEO-UHFFFAOYSA-N 1 2 338.459 2.292 20 30 EEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCC(=O)Nc1ccc(F)c(F)c1 ZINC000174224640 464379646 /nfs/dbraw/zinc/37/96/46/464379646.db2.gz FEPUQFCJRTVPLI-SNVBAGLBSA-N 1 2 329.347 2.253 20 30 EEEDLO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271875270 464397410 /nfs/dbraw/zinc/39/74/10/464397410.db2.gz XJCJSBSLTKTQIG-UONOGXRCSA-N 1 2 334.445 2.031 20 30 EEEDLO CCN(CC)C(=O)C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000271871902 464397823 /nfs/dbraw/zinc/39/78/23/464397823.db2.gz OHWGMDLNXUXANM-MRXNPFEDSA-N 1 2 344.459 2.122 20 30 EEEDLO CCN(CC)C(=O)C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000271871902 464397825 /nfs/dbraw/zinc/39/78/25/464397825.db2.gz OHWGMDLNXUXANM-MRXNPFEDSA-N 1 2 344.459 2.122 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C)c(Cl)c2)C1=O ZINC000281325932 464414946 /nfs/dbraw/zinc/41/49/46/464414946.db2.gz LPPXJNJURDMZGI-OAHLLOKOSA-N 1 2 335.835 2.306 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C)c(Cl)c2)C1=O ZINC000281325932 464414950 /nfs/dbraw/zinc/41/49/50/464414950.db2.gz LPPXJNJURDMZGI-OAHLLOKOSA-N 1 2 335.835 2.306 20 30 EEEDLO CC[C@](C)(C#N)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000285010981 464425430 /nfs/dbraw/zinc/42/54/30/464425430.db2.gz DEWSMDNKCXHXOM-GOSISDBHSA-N 1 2 332.423 2.004 20 30 EEEDLO C#CCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000245736849 464511313 /nfs/dbraw/zinc/51/13/13/464511313.db2.gz KQGOQSKIQRCMAG-IRXDYDNUSA-N 1 2 349.862 2.424 20 30 EEEDLO C#CCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000245736849 464511319 /nfs/dbraw/zinc/51/13/19/464511319.db2.gz KQGOQSKIQRCMAG-IRXDYDNUSA-N 1 2 349.862 2.424 20 30 EEEDLO C#CCN(CC#N)C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000281638259 464530564 /nfs/dbraw/zinc/53/05/64/464530564.db2.gz BVJLXVISWQSLHI-UHFFFAOYSA-N 1 2 348.406 2.142 20 30 EEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000281986075 464659732 /nfs/dbraw/zinc/65/97/32/464659732.db2.gz SOOPEFNGRGWIGK-UHFFFAOYSA-N 1 2 349.431 2.345 20 30 EEEDLO C#CCCOc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000295317341 464786940 /nfs/dbraw/zinc/78/69/40/464786940.db2.gz PJDXPNQCLGYOGK-WMZOPIPTSA-N 1 2 342.439 2.024 20 30 EEEDLO COCCOCCO[NH+]=C(N)COc1ccc(Cl)cc1Cl ZINC000183247495 464833592 /nfs/dbraw/zinc/83/35/92/464833592.db2.gz MVBTUYGTNAONGD-UHFFFAOYSA-N 1 2 337.203 2.324 20 30 EEEDLO C=CCn1c(-c2ccc(C)s2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000282500948 464842922 /nfs/dbraw/zinc/84/29/22/464842922.db2.gz DVBHADGGGMHTLB-UHFFFAOYSA-N 1 2 347.488 2.269 20 30 EEEDLO C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000282623309 464888859 /nfs/dbraw/zinc/88/88/59/464888859.db2.gz OHZKDLQJIPDQPI-UHFFFAOYSA-N 1 2 335.415 2.181 20 30 EEEDLO COC(=O)c1ccc(CO[NH+]=C(N)[C@H](C)OCC(C)C)cc1F ZINC000268060263 464947684 /nfs/dbraw/zinc/94/76/84/464947684.db2.gz CZFADACYHIHQNI-NSHDSACASA-N 1 2 326.368 2.462 20 30 EEEDLO C[C@H](C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C)[NH+]1CCSCC1 ZINC000329381118 465317039 /nfs/dbraw/zinc/31/70/39/465317039.db2.gz NPGYGNFOKACCHB-NEPJUHHUSA-N 1 2 345.534 2.080 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CCS(=O)(=O)[C@H]3C2)c(C(F)(F)F)c1 ZINC000356341537 465324773 /nfs/dbraw/zinc/32/47/73/465324773.db2.gz KQVGFHUMSKBRPU-OCCSQVGLSA-N 1 2 344.358 2.196 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CCS(=O)(=O)[C@H]3C2)c(C(F)(F)F)c1 ZINC000356341537 465324779 /nfs/dbraw/zinc/32/47/79/465324779.db2.gz KQVGFHUMSKBRPU-OCCSQVGLSA-N 1 2 344.358 2.196 20 30 EEEDLO O=C(Nc1cccc2c1OCO2)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000329474376 465345320 /nfs/dbraw/zinc/34/53/20/465345320.db2.gz SURKAFWQPWHTFI-AWEZNQCLSA-N 1 2 347.415 2.148 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000329592894 465381437 /nfs/dbraw/zinc/38/14/37/465381437.db2.gz CABORFKDQQMTRT-PBHICJAKSA-N 1 2 344.390 2.394 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000329592894 465381441 /nfs/dbraw/zinc/38/14/41/465381441.db2.gz CABORFKDQQMTRT-PBHICJAKSA-N 1 2 344.390 2.394 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1cnc3n[nH]nc3c1)C2 ZINC000329679908 465405271 /nfs/dbraw/zinc/40/52/71/465405271.db2.gz RBGFAUNXUZVASM-NSHDSACASA-N 1 2 339.403 2.167 20 30 EEEDLO N#Cc1c(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)n[nH]c1C1CC1 ZINC000359720440 465485532 /nfs/dbraw/zinc/48/55/32/465485532.db2.gz VQUYDDKYIRUEGY-UHFFFAOYSA-N 1 2 332.367 2.656 20 30 EEEDLO CCCCNC(=O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348325320 465552010 /nfs/dbraw/zinc/55/20/10/465552010.db2.gz GURITQJFZJYVHW-KRWDZBQOSA-N 1 2 348.878 2.439 20 30 EEEDLO C=CC[C@@H](CC)NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000343770977 465552265 /nfs/dbraw/zinc/55/22/65/465552265.db2.gz NMTXRXDFBUCNCG-CQSZACIVSA-N 1 2 338.473 2.106 20 30 EEEDLO COC[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccco1 ZINC000299068281 465585293 /nfs/dbraw/zinc/58/52/93/465585293.db2.gz SWHDGDQPWIOAJB-CHWSQXEVSA-N 1 2 331.397 2.295 20 30 EEEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000371089977 465590794 /nfs/dbraw/zinc/59/07/94/465590794.db2.gz STDLEHHYWZXKSY-MRXNPFEDSA-N 1 2 345.399 2.162 20 30 EEEDLO C=CCOc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000548639579 468442408 /nfs/dbraw/zinc/44/24/08/468442408.db2.gz LIJLHMPFTRDXQR-AWEZNQCLSA-N 1 2 327.384 2.201 20 30 EEEDLO Cc1ccc2nc(NC(=O)CN3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)sc2c1 ZINC000330343214 465622265 /nfs/dbraw/zinc/62/22/65/465622265.db2.gz BSFQEZFFRGSWGJ-KBPBESRZSA-N 1 2 346.456 2.208 20 30 EEEDLO Cc1ccc2nc(NC(=O)CN3C[C@@H]4OCC[N@H+](C)[C@H]4C3)sc2c1 ZINC000330343214 465622272 /nfs/dbraw/zinc/62/22/72/465622272.db2.gz BSFQEZFFRGSWGJ-KBPBESRZSA-N 1 2 346.456 2.208 20 30 EEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H]2CCCCO2)CC1=O ZINC000299248709 465663760 /nfs/dbraw/zinc/66/37/60/465663760.db2.gz POHPZPQLUKGIMM-ZDUSSCGKSA-N 1 2 340.427 2.215 20 30 EEEDLO N#CC[C@@H](CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000366378653 465691792 /nfs/dbraw/zinc/69/17/92/465691792.db2.gz RWTIDSKJJZPSBS-RBUKOAKNSA-N 1 2 341.455 2.397 20 30 EEEDLO Cc1cc(N(C)C[C@@H]2C[C@@H](F)C[N@@H+]2Cc2ccnn2C)cc(C#N)n1 ZINC000361006804 465696540 /nfs/dbraw/zinc/69/65/40/465696540.db2.gz LMDNGTVIXMGNOW-KDOFPFPSSA-N 1 2 342.422 2.044 20 30 EEEDLO Cc1cc(N(C)C[C@@H]2C[C@@H](F)C[N@H+]2Cc2ccnn2C)cc(C#N)n1 ZINC000361006804 465696546 /nfs/dbraw/zinc/69/65/46/465696546.db2.gz LMDNGTVIXMGNOW-KDOFPFPSSA-N 1 2 342.422 2.044 20 30 EEEDLO CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)CC(=O)N1CCCCCC1 ZINC000353203036 465713634 /nfs/dbraw/zinc/71/36/34/465713634.db2.gz MBMTXLRGSFVCLW-UHFFFAOYSA-N 1 2 342.443 2.221 20 30 EEEDLO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)CC(=O)N1CCCCCC1 ZINC000353203036 465713637 /nfs/dbraw/zinc/71/36/37/465713637.db2.gz MBMTXLRGSFVCLW-UHFFFAOYSA-N 1 2 342.443 2.221 20 30 EEEDLO C=C[C@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000362469846 465763072 /nfs/dbraw/zinc/76/30/72/465763072.db2.gz CXPIBRFRDGGVQS-INIZCTEOSA-N 1 2 330.432 2.168 20 30 EEEDLO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)c1C ZINC000345120390 465829583 /nfs/dbraw/zinc/82/95/83/465829583.db2.gz AUNWHNZKNIXVPI-KRWDZBQOSA-N 1 2 340.471 2.376 20 30 EEEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCC2)c(OC)c1 ZINC000345782193 465902554 /nfs/dbraw/zinc/90/25/54/465902554.db2.gz JCRCDRSYSIJZMN-CYBMUJFWSA-N 1 2 331.416 2.087 20 30 EEEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCC2)c(OC)c1 ZINC000345782193 465902565 /nfs/dbraw/zinc/90/25/65/465902565.db2.gz JCRCDRSYSIJZMN-CYBMUJFWSA-N 1 2 331.416 2.087 20 30 EEEDLO Cc1cc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc(N2CCCC2)n1 ZINC000357304173 465931395 /nfs/dbraw/zinc/93/13/95/465931395.db2.gz UJQMUKQMCNZSON-IBGZPJMESA-N 1 2 349.438 2.178 20 30 EEEDLO COCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cccs1 ZINC000349128620 465985585 /nfs/dbraw/zinc/98/55/85/465985585.db2.gz UHSDBQSVRMBGQQ-UHFFFAOYSA-N 1 2 343.452 2.385 20 30 EEEDLO COCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cccs1 ZINC000349128620 465985595 /nfs/dbraw/zinc/98/55/95/465985595.db2.gz UHSDBQSVRMBGQQ-UHFFFAOYSA-N 1 2 343.452 2.385 20 30 EEEDLO C[C@@H](CC#N)N(C)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000349388066 466094335 /nfs/dbraw/zinc/09/43/35/466094335.db2.gz UDDFMAJSLKPIJQ-AWEZNQCLSA-N 1 2 339.399 2.286 20 30 EEEDLO CCCc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000346513021 466108487 /nfs/dbraw/zinc/10/84/87/466108487.db2.gz PQYIWQDGJZVYJF-UHFFFAOYSA-N 1 2 329.444 2.327 20 30 EEEDLO COc1ccc2c(c1OC)CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000340993206 466495286 /nfs/dbraw/zinc/49/52/86/466495286.db2.gz XEHFVJCJJAJWLH-IBGZPJMESA-N 1 2 345.443 2.116 20 30 EEEDLO COc1ccc2c(c1OC)CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000340993206 466495293 /nfs/dbraw/zinc/49/52/93/466495293.db2.gz XEHFVJCJJAJWLH-IBGZPJMESA-N 1 2 345.443 2.116 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000372601454 466497869 /nfs/dbraw/zinc/49/78/69/466497869.db2.gz SMSSWQULDYJMPS-KRWDZBQOSA-N 1 2 337.489 2.453 20 30 EEEDLO C#Cc1ccc(CN2CCNC(=O)[C@@H]2c2c(C)[nH+]c3ccccn32)cc1 ZINC000368571039 466673218 /nfs/dbraw/zinc/67/32/18/466673218.db2.gz BRUNPUUBSOECQZ-FQEVSTJZSA-N 1 2 344.418 2.297 20 30 EEEDLO COC(=O)[C@H]1CC[N@H+](CCC2(C#N)CCCCC2)[C@H](C(=O)OC)C1 ZINC000411496272 466835981 /nfs/dbraw/zinc/83/59/81/466835981.db2.gz LLWAQVMKUWWCEP-GJZGRUSLSA-N 1 2 336.432 2.277 20 30 EEEDLO COC(=O)[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)[C@H](C(=O)OC)C1 ZINC000411496272 466835982 /nfs/dbraw/zinc/83/59/82/466835982.db2.gz LLWAQVMKUWWCEP-GJZGRUSLSA-N 1 2 336.432 2.277 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411991706 466961499 /nfs/dbraw/zinc/96/14/99/466961499.db2.gz UURVCIOKJDYGBB-FQEVSTJZSA-N 1 2 340.423 2.297 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411991706 466961500 /nfs/dbraw/zinc/96/15/00/466961500.db2.gz UURVCIOKJDYGBB-FQEVSTJZSA-N 1 2 340.423 2.297 20 30 EEEDLO COc1cc(OC)c(CCNc2cc(C)[nH+]cc2C#N)c(OC)c1 ZINC000425224453 467089237 /nfs/dbraw/zinc/08/92/37/467089237.db2.gz JTFNPDJNMODDCK-UHFFFAOYSA-N 1 2 327.384 2.364 20 30 EEEDLO N#C[C@H]1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000425389515 467092733 /nfs/dbraw/zinc/09/27/33/467092733.db2.gz YUSNTFVPTSUMPO-MAUKXSAKSA-N 1 2 342.443 2.010 20 30 EEEDLO C[C@H](O)[C@H]1CCN(c2cc(NCCc3cccc(C#N)c3)[nH+]cn2)C1 ZINC000413263401 467200623 /nfs/dbraw/zinc/20/06/23/467200623.db2.gz HDFMYKCLEBSMRV-YOEHRIQHSA-N 1 2 337.427 2.210 20 30 EEEDLO C[C@H](O)[C@H]1CCN(c2cc(NCCc3cccc(C#N)c3)nc[nH+]2)C1 ZINC000413263401 467200626 /nfs/dbraw/zinc/20/06/26/467200626.db2.gz HDFMYKCLEBSMRV-YOEHRIQHSA-N 1 2 337.427 2.210 20 30 EEEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433323538 467317920 /nfs/dbraw/zinc/31/79/20/467317920.db2.gz WZJHVUNXKDPTBT-HNNXBMFYSA-N 1 2 344.459 2.228 20 30 EEEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433323538 467317922 /nfs/dbraw/zinc/31/79/22/467317922.db2.gz WZJHVUNXKDPTBT-HNNXBMFYSA-N 1 2 344.459 2.228 20 30 EEEDLO C=CCCCN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414594022 467421851 /nfs/dbraw/zinc/42/18/51/467421851.db2.gz YQJFDZMFRQQFHK-KRWDZBQOSA-N 1 2 343.471 2.144 20 30 EEEDLO C=CCCCN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414594022 467421853 /nfs/dbraw/zinc/42/18/53/467421853.db2.gz YQJFDZMFRQQFHK-KRWDZBQOSA-N 1 2 343.471 2.144 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](NC(C)=O)C1 ZINC000420975742 467524150 /nfs/dbraw/zinc/52/41/50/467524150.db2.gz ANFSAOARYNQZHZ-CQSZACIVSA-N 1 2 333.457 2.114 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](NC(C)=O)C1 ZINC000420975742 467524153 /nfs/dbraw/zinc/52/41/53/467524153.db2.gz ANFSAOARYNQZHZ-CQSZACIVSA-N 1 2 333.457 2.114 20 30 EEEDLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000453709023 467524560 /nfs/dbraw/zinc/52/45/60/467524560.db2.gz IRDXSQWBZYNEBI-NSHDSACASA-N 1 2 348.472 2.018 20 30 EEEDLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000453709023 467524563 /nfs/dbraw/zinc/52/45/63/467524563.db2.gz IRDXSQWBZYNEBI-NSHDSACASA-N 1 2 348.472 2.018 20 30 EEEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439456197 467567219 /nfs/dbraw/zinc/56/72/19/467567219.db2.gz XLHBTCZCCOQURM-GXFFZTMASA-N 1 2 345.212 2.419 20 30 EEEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439456197 467567221 /nfs/dbraw/zinc/56/72/21/467567221.db2.gz XLHBTCZCCOQURM-GXFFZTMASA-N 1 2 345.212 2.419 20 30 EEEDLO N#CCCCn1cc(C(=O)NCC[NH+]2CCOCC2)c2ccccc21 ZINC000443918829 467581053 /nfs/dbraw/zinc/58/10/53/467581053.db2.gz HJZUCRSZOZFZCS-UHFFFAOYSA-N 1 2 340.427 2.007 20 30 EEEDLO CC#CCN(C)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000457521369 467641710 /nfs/dbraw/zinc/64/17/10/467641710.db2.gz JKHGZZWPQPTTBX-SFHVURJKSA-N 1 2 329.444 2.033 20 30 EEEDLO C[C@@H](CC#N)NC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455874514 467701434 /nfs/dbraw/zinc/70/14/34/467701434.db2.gz YXSYDJXAZGXZSQ-QMMMGPOBSA-N 1 2 326.198 2.334 20 30 EEEDLO CCN1CCN(C(=O)/C=C\c2cccc(C#N)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000492665811 467706737 /nfs/dbraw/zinc/70/67/37/467706737.db2.gz DTQBOIDUNYYFTI-JTGQJZMRSA-N 1 2 335.411 2.200 20 30 EEEDLO COc1ccc([C@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)C2CC2)cn1 ZINC000528855264 467767932 /nfs/dbraw/zinc/76/79/32/467767932.db2.gz YWRANFAGGOOQID-MSOLQXFVSA-N 1 2 336.395 2.229 20 30 EEEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000450144813 467787093 /nfs/dbraw/zinc/78/70/93/467787093.db2.gz HTVOJACSVRNCHQ-KSSFIOAISA-N 1 2 346.862 2.128 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)C=Cc3c[nH]c[nH+]3)C2)c(F)c1 ZINC000492896988 467787802 /nfs/dbraw/zinc/78/78/02/467787802.db2.gz JSXYDSTUWKXOAG-DRDHIDPGSA-N 1 2 339.374 2.219 20 30 EEEDLO Cn1c2ccccc2[nH+]c1CCCNc1nc2c(cc1C#N)COCC2 ZINC000450365244 467835499 /nfs/dbraw/zinc/83/54/99/467835499.db2.gz PUNAEHNOJUTGFW-UHFFFAOYSA-N 1 2 347.422 2.957 20 30 EEEDLO N#CCC[C@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000458595463 467864165 /nfs/dbraw/zinc/86/41/65/467864165.db2.gz XYSDWLKYGDPQMW-KSZLIROESA-N 1 2 342.443 2.194 20 30 EEEDLO N#CCC[C@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000458595463 467864170 /nfs/dbraw/zinc/86/41/70/467864170.db2.gz XYSDWLKYGDPQMW-KSZLIROESA-N 1 2 342.443 2.194 20 30 EEEDLO COCc1ccc(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cc1C#N ZINC000529818289 467913780 /nfs/dbraw/zinc/91/37/80/467913780.db2.gz WEBAVRXVTOMKOS-SFHVURJKSA-N 1 2 343.427 2.287 20 30 EEEDLO COCc1ccc(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cc1C#N ZINC000529818289 467913783 /nfs/dbraw/zinc/91/37/83/467913783.db2.gz WEBAVRXVTOMKOS-SFHVURJKSA-N 1 2 343.427 2.287 20 30 EEEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)[C@@H](CC)CN1C(C)=O ZINC000472325169 467985656 /nfs/dbraw/zinc/98/56/56/467985656.db2.gz IZZHTGLAGHFPGE-ZWKOTPCHSA-N 1 2 342.443 2.218 20 30 EEEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)[C@@H](CC)CN1C(C)=O ZINC000472325169 467985659 /nfs/dbraw/zinc/98/56/59/467985659.db2.gz IZZHTGLAGHFPGE-ZWKOTPCHSA-N 1 2 342.443 2.218 20 30 EEEDLO COc1ccc2nc(C)cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2c1 ZINC000565838255 468138523 /nfs/dbraw/zinc/13/85/23/468138523.db2.gz XHEKFICVWKBFGY-GOSISDBHSA-N 1 2 326.400 2.126 20 30 EEEDLO Cn1cc[nH+]c1C[C@H](NC(=O)c1cccc(C#N)n1)c1ccccc1 ZINC000589436928 468150767 /nfs/dbraw/zinc/15/07/67/468150767.db2.gz FJMUPYGDYZOTPG-KRWDZBQOSA-N 1 2 331.379 2.401 20 30 EEEDLO C#CC[C@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C(=O)OC ZINC000496432573 468243459 /nfs/dbraw/zinc/24/34/59/468243459.db2.gz DFIZWOAYKZNBOD-KKUMJFAQSA-N 1 2 338.448 2.177 20 30 EEEDLO C#CC[N@@H+](Cc1cc(C)nc2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000490865304 468257762 /nfs/dbraw/zinc/25/77/62/468257762.db2.gz ALZFSCUMMJVXJS-INIZCTEOSA-N 1 2 328.437 2.166 20 30 EEEDLO C#CC[N@H+](Cc1cc(C)nc2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000490865304 468257766 /nfs/dbraw/zinc/25/77/66/468257766.db2.gz ALZFSCUMMJVXJS-INIZCTEOSA-N 1 2 328.437 2.166 20 30 EEEDLO N#CCC1(O)C[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000582235850 468510900 /nfs/dbraw/zinc/51/09/00/468510900.db2.gz RNIFPONINLRFDA-OAHLLOKOSA-N 1 2 335.407 2.116 20 30 EEEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000594303609 468547953 /nfs/dbraw/zinc/54/79/53/468547953.db2.gz ZDXNPYWPYQXEIX-LPHOPBHVSA-N 1 2 341.455 2.060 20 30 EEEDLO Cc1cccc(N2CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)c1 ZINC000583026136 468632309 /nfs/dbraw/zinc/63/23/09/468632309.db2.gz UWHBUMUVYONREX-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO CCCCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000600829562 468667092 /nfs/dbraw/zinc/66/70/92/468667092.db2.gz KREKIQACFAVRPH-QAPCUYQASA-N 1 2 346.450 2.313 20 30 EEEDLO N#Cc1cnn2cc(C[N@@H+](Cc3ccco3)C[C@@H]3CCCO3)cnc12 ZINC000592500230 468712999 /nfs/dbraw/zinc/71/29/99/468712999.db2.gz MALRBSVCCKPADP-KRWDZBQOSA-N 1 2 337.383 2.375 20 30 EEEDLO N#Cc1cnn2cc(C[N@H+](Cc3ccco3)C[C@@H]3CCCO3)cnc12 ZINC000592500230 468713004 /nfs/dbraw/zinc/71/30/04/468713004.db2.gz MALRBSVCCKPADP-KRWDZBQOSA-N 1 2 337.383 2.375 20 30 EEEDLO COC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000559007482 468725169 /nfs/dbraw/zinc/72/51/69/468725169.db2.gz IGCXPSXJSJFOAI-UHFFFAOYSA-N 1 2 327.428 2.162 20 30 EEEDLO C[NH+]1CCN(S(=O)(=O)c2cccc(-c3cccc(C#N)c3)c2)CC1 ZINC000592988230 468834317 /nfs/dbraw/zinc/83/43/17/468834317.db2.gz IDIQBFHKQHHMJU-UHFFFAOYSA-N 1 2 341.436 2.161 20 30 EEEDLO Cn1c[nH+]c(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000595470264 468866706 /nfs/dbraw/zinc/86/67/06/468866706.db2.gz SRWZFYOVQDAKQA-QGZVFWFLSA-N 1 2 329.835 2.456 20 30 EEEDLO C=CCCCC[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000584510425 468886914 /nfs/dbraw/zinc/88/69/14/468886914.db2.gz TUWNIPCZKHHQIN-UHFFFAOYSA-N 1 2 333.457 2.221 20 30 EEEDLO COc1ccc2c(c1)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(C)n2C ZINC000593153258 468888272 /nfs/dbraw/zinc/88/82/72/468888272.db2.gz HTPWARCREQYLOD-GOSISDBHSA-N 1 2 328.416 2.069 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)nc1 ZINC000595626496 468929450 /nfs/dbraw/zinc/92/94/50/468929450.db2.gz RWVVOMOTHHZMLJ-UXHICEINSA-N 1 2 334.423 2.038 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)nc1 ZINC000595626496 468929454 /nfs/dbraw/zinc/92/94/54/468929454.db2.gz RWVVOMOTHHZMLJ-UXHICEINSA-N 1 2 334.423 2.038 20 30 EEEDLO N#Cc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)nc1 ZINC000595626496 468929458 /nfs/dbraw/zinc/92/94/58/468929458.db2.gz RWVVOMOTHHZMLJ-UXHICEINSA-N 1 2 334.423 2.038 20 30 EEEDLO N#Cc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)nc1 ZINC000595626496 468929463 /nfs/dbraw/zinc/92/94/63/468929463.db2.gz RWVVOMOTHHZMLJ-UXHICEINSA-N 1 2 334.423 2.038 20 30 EEEDLO Cn1c2cc(F)ccc2[nH+]c1N1CCN(c2cnccc2C#N)CC1 ZINC000562397040 468950101 /nfs/dbraw/zinc/95/01/01/468950101.db2.gz HWVDFRVXGAIKRI-UHFFFAOYSA-N 1 2 336.374 2.306 20 30 EEEDLO CNc1ccc(C(F)(F)F)cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000598837615 469019641 /nfs/dbraw/zinc/01/96/41/469019641.db2.gz XJAFODHQXCKKHM-CQSZACIVSA-N 1 2 328.338 2.321 20 30 EEEDLO N#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)s1 ZINC000601852405 469059670 /nfs/dbraw/zinc/05/96/70/469059670.db2.gz XUZUFKQWAJGHMA-UHFFFAOYSA-N 1 2 344.465 2.498 20 30 EEEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](c1nccn1C)C(C)(C)CO ZINC000602884984 469143336 /nfs/dbraw/zinc/14/33/36/469143336.db2.gz XTTJTPOAHJWTCG-INIZCTEOSA-N 1 2 328.416 2.150 20 30 EEEDLO C[C@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc(C#N)cc1 ZINC000596166472 469182888 /nfs/dbraw/zinc/18/28/88/469182888.db2.gz ZGLKANGGDPQAJO-ZNMIVQPWSA-N 1 2 330.432 2.028 20 30 EEEDLO C[C@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc(C#N)cc1 ZINC000596166472 469182890 /nfs/dbraw/zinc/18/28/90/469182890.db2.gz ZGLKANGGDPQAJO-ZNMIVQPWSA-N 1 2 330.432 2.028 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000599336406 469216834 /nfs/dbraw/zinc/21/68/34/469216834.db2.gz JSEKROAXHSELNX-QZTJIDSGSA-N 1 2 332.492 2.086 20 30 EEEDLO N#Cc1ccc(CCNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)cc1 ZINC000596319792 469243539 /nfs/dbraw/zinc/24/35/39/469243539.db2.gz DTYZGLKNAMQFQJ-KRWDZBQOSA-N 1 2 337.427 2.212 20 30 EEEDLO N#Cc1ccc(CCNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)cc1 ZINC000596319792 469243543 /nfs/dbraw/zinc/24/35/43/469243543.db2.gz DTYZGLKNAMQFQJ-KRWDZBQOSA-N 1 2 337.427 2.212 20 30 EEEDLO N#Cc1ccc(CCNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1 ZINC000596319793 469243660 /nfs/dbraw/zinc/24/36/60/469243660.db2.gz DTYZGLKNAMQFQJ-QGZVFWFLSA-N 1 2 337.427 2.212 20 30 EEEDLO N#Cc1ccc(CCNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1 ZINC000596319793 469243665 /nfs/dbraw/zinc/24/36/65/469243665.db2.gz DTYZGLKNAMQFQJ-QGZVFWFLSA-N 1 2 337.427 2.212 20 30 EEEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000611516549 469270698 /nfs/dbraw/zinc/27/06/98/469270698.db2.gz FKRUPPITRZENEF-UHFFFAOYSA-N 1 2 338.411 2.238 20 30 EEEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000599579266 469298254 /nfs/dbraw/zinc/29/82/54/469298254.db2.gz DHDVJENIMNBQRI-CABCVRRESA-N 1 2 336.432 2.277 20 30 EEEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000599579266 469298259 /nfs/dbraw/zinc/29/82/59/469298259.db2.gz DHDVJENIMNBQRI-CABCVRRESA-N 1 2 336.432 2.277 20 30 EEEDLO CC(C)(C)OC(=O)C(C)(C)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000599649629 469324240 /nfs/dbraw/zinc/32/42/40/469324240.db2.gz BYHWWOSEWYEIGZ-CQSZACIVSA-N 1 2 334.416 2.008 20 30 EEEDLO N#CCc1ccc(NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)cc1 ZINC000596659439 469324826 /nfs/dbraw/zinc/32/48/26/469324826.db2.gz ZMKTZZDYFLCWLB-UHFFFAOYSA-N 1 2 342.443 2.329 20 30 EEEDLO Cc1nc2ccccn2c1[C@@H]1C(=O)NCC[N@H+]1C[C@@H](C)CCC#N ZINC000602474803 469332087 /nfs/dbraw/zinc/33/20/87/469332087.db2.gz RQQKTACEMVXESM-SUMWQHHRSA-N 1 2 325.416 2.056 20 30 EEEDLO Cc1nc2ccccn2c1[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602474803 469332091 /nfs/dbraw/zinc/33/20/91/469332091.db2.gz RQQKTACEMVXESM-SUMWQHHRSA-N 1 2 325.416 2.056 20 30 EEEDLO C[C@@]1(C#N)CCCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000612364188 469447443 /nfs/dbraw/zinc/44/74/43/469447443.db2.gz FNRQKXWEXWWJBE-IBGZPJMESA-N 1 2 327.428 2.285 20 30 EEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000604550555 469489692 /nfs/dbraw/zinc/48/96/92/469489692.db2.gz YVJQBLRFJOCFRR-UHFFFAOYSA-N 1 2 340.431 2.096 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3coc(C4CC4)n3)CC2)cc1 ZINC000614456229 469944650 /nfs/dbraw/zinc/94/46/50/469944650.db2.gz LJLYWEBYDXCFID-UHFFFAOYSA-N 1 2 336.395 2.382 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000609632398 469951843 /nfs/dbraw/zinc/95/18/43/469951843.db2.gz PHNLFKRDQXHHRB-UHFFFAOYSA-N 1 2 341.436 2.161 20 30 EEEDLO C[C@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1cccc(C#N)c1 ZINC000610354129 470007237 /nfs/dbraw/zinc/00/72/37/470007237.db2.gz XTUXNVNSKCLJAF-AWEZNQCLSA-N 1 2 330.432 2.029 20 30 EEEDLO C[C@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1cccc(C#N)c1 ZINC000610354129 470007238 /nfs/dbraw/zinc/00/72/38/470007238.db2.gz XTUXNVNSKCLJAF-AWEZNQCLSA-N 1 2 330.432 2.029 20 30 EEEDLO C=CCn1c(-c2cc(C)cs2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000624849135 470031598 /nfs/dbraw/zinc/03/15/98/470031598.db2.gz CNPXWHSQOIGVRP-UHFFFAOYSA-N 1 2 347.488 2.269 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635889194 470799239 /nfs/dbraw/zinc/79/92/39/470799239.db2.gz IJNTZOWWEBQSJJ-SUMWQHHRSA-N 1 2 327.384 2.289 20 30 EEEDLO N#CCCn1ncc(C(=O)NCCCn2cc[nH+]c2)c1-c1ccccc1 ZINC000429476237 485695430 /nfs/dbraw/zinc/69/54/30/485695430.db2.gz NPTIKMWIULZYIC-UHFFFAOYSA-N 1 2 348.410 2.480 20 30 EEEDLO C=CCCCN(C)C(=O)C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000459854476 534700092 /nfs/dbraw/zinc/70/00/92/534700092.db2.gz HWSNBLGJAHKNNM-UHFFFAOYSA-N 1 2 343.471 2.064 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1 ZINC000339004468 526770239 /nfs/dbraw/zinc/77/02/39/526770239.db2.gz XCWOJSNMPMPHRI-KRWDZBQOSA-N 1 2 332.444 2.109 20 30 EEEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](CC)c2ccc(Cl)cc2)CC1 ZINC000728571139 576507248 /nfs/dbraw/zinc/50/72/48/576507248.db2.gz CODBDYCHYOLNLP-KRWDZBQOSA-N 1 2 333.863 2.158 20 30 EEEDLO C[C@H](NC(=O)c1ccccc1SCC#N)[C@H](C)[NH+]1CCOCC1 ZINC000729444373 576655318 /nfs/dbraw/zinc/65/53/18/576655318.db2.gz KEVGKXSDZIECCW-KBPBESRZSA-N 1 2 333.457 2.141 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000733156867 577205469 /nfs/dbraw/zinc/20/54/69/577205469.db2.gz YPVXXNNEWGJTOK-ABAIWWIYSA-N 1 2 330.819 2.491 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000733156867 577205471 /nfs/dbraw/zinc/20/54/71/577205471.db2.gz YPVXXNNEWGJTOK-ABAIWWIYSA-N 1 2 330.819 2.491 20 30 EEEDLO C=CC[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000775659173 577441954 /nfs/dbraw/zinc/44/19/54/577441954.db2.gz DVGZMYORNKCUAK-LBPRGKRZSA-N 1 2 333.812 2.360 20 30 EEEDLO C=CC[N@H+](Cc1cc(Cl)cc(F)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000775659173 577441955 /nfs/dbraw/zinc/44/19/55/577441955.db2.gz DVGZMYORNKCUAK-LBPRGKRZSA-N 1 2 333.812 2.360 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)n(C3CCCCC3)n2)CC1 ZINC000776466923 577460328 /nfs/dbraw/zinc/46/03/28/577460328.db2.gz LXFQPGGRHUAGKS-UHFFFAOYSA-N 1 2 328.460 2.478 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@](CC)(c2ccc(CC)cc2)C1=O ZINC000766661268 577522920 /nfs/dbraw/zinc/52/29/20/577522920.db2.gz AKZMVNWNTCPTRN-LIRRHRJNSA-N 1 2 327.428 2.317 20 30 EEEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@](CC)(c2ccc(CC)cc2)C1=O ZINC000766661268 577522921 /nfs/dbraw/zinc/52/29/21/577522921.db2.gz AKZMVNWNTCPTRN-LIRRHRJNSA-N 1 2 327.428 2.317 20 30 EEEDLO CSCCNC(=S)NN=Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000769606024 577581295 /nfs/dbraw/zinc/58/12/95/577581295.db2.gz VNCWNSJQKXMHKZ-UHFFFAOYSA-N 1 2 333.486 2.342 20 30 EEEDLO CC1(C)C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)CCS1 ZINC000751492620 577754169 /nfs/dbraw/zinc/75/41/69/577754169.db2.gz AVKKMFYXBNTZNB-UHFFFAOYSA-N 1 2 328.441 2.247 20 30 EEEDLO CC1(C)C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)CCS1 ZINC000751492620 577754170 /nfs/dbraw/zinc/75/41/70/577754170.db2.gz AVKKMFYXBNTZNB-UHFFFAOYSA-N 1 2 328.441 2.247 20 30 EEEDLO C=CCSCCNC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000754103301 577800403 /nfs/dbraw/zinc/80/04/03/577800403.db2.gz OHJBHHYQDQXGOY-UHFFFAOYSA-N 1 2 342.534 2.114 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000754886484 577815713 /nfs/dbraw/zinc/81/57/13/577815713.db2.gz KLSSZSJLJQOMDU-UHFFFAOYSA-N 1 2 344.217 2.322 20 30 EEEDLO COC[C@H](C#N)OC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000754953325 577816916 /nfs/dbraw/zinc/81/69/16/577816916.db2.gz 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342.439 2.177 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nnc(CC)o3)C2)cc1 ZINC000969548058 675095825 /nfs/dbraw/zinc/09/58/25/675095825.db2.gz FGFNGTRQDNMZRI-CZUORRHYSA-N 1 2 338.411 2.179 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC000970729102 676107598 /nfs/dbraw/zinc/10/75/98/676107598.db2.gz OTVKHDCLQIGHFZ-CYBMUJFWSA-N 1 2 345.834 2.070 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001006824214 676111580 /nfs/dbraw/zinc/11/15/80/676111580.db2.gz PEUJTAJNVAKYSS-MSOLQXFVSA-N 1 2 327.428 2.208 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001006824214 676111581 /nfs/dbraw/zinc/11/15/81/676111581.db2.gz PEUJTAJNVAKYSS-MSOLQXFVSA-N 1 2 327.428 2.208 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](Cc3ccccc3C#N)C2)nc1 ZINC000970765062 676133202 /nfs/dbraw/zinc/13/32/02/676133202.db2.gz ZMTBNERKHJXWPQ-OAHLLOKOSA-N 1 2 344.418 2.185 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ncc(OC)cc2F)C1 ZINC000969814353 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336.867 2.257 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ncoc2C)C1 ZINC000971174066 676426698 /nfs/dbraw/zinc/42/66/98/676426698.db2.gz QUYHAJMTIHJNJL-LLVKDONJSA-N 1 2 328.210 2.038 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2ncoc2C)C1 ZINC000971174066 676426699 /nfs/dbraw/zinc/42/66/99/676426699.db2.gz QUYHAJMTIHJNJL-LLVKDONJSA-N 1 2 328.210 2.038 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)/C=C/c2ccc[nH]2)C1 ZINC000971411314 676535970 /nfs/dbraw/zinc/53/59/70/676535970.db2.gz SLXRCQFNNKTADH-VBROQKIQSA-N 1 2 338.249 2.469 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)/C=C/c2ccc[nH]2)C1 ZINC000971411314 676535973 /nfs/dbraw/zinc/53/59/73/676535973.db2.gz SLXRCQFNNKTADH-VBROQKIQSA-N 1 2 338.249 2.469 20 30 EEEDLO Cn1nc2c(c1C[NH+]1CCN([C@@H](C#N)c3ccccc3)CC1)CCC2 ZINC000891401049 676563587 /nfs/dbraw/zinc/56/35/87/676563587.db2.gz YQXGYBYYHVRBFR-IBGZPJMESA-N 1 2 335.455 2.291 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)Cc3ccccc3Cl)CC2)C1 ZINC000949523674 676578866 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2.108 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(OC)o2)C1 ZINC000972605327 679416264 /nfs/dbraw/zinc/41/62/64/679416264.db2.gz YWELLYPQFDEIBT-NSHDSACASA-N 1 2 343.221 2.343 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(OC)o2)C1 ZINC000972605327 679416265 /nfs/dbraw/zinc/41/62/65/679416265.db2.gz YWELLYPQFDEIBT-NSHDSACASA-N 1 2 343.221 2.343 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@]2(C)CCCOC2)C1 ZINC000972629782 679459389 /nfs/dbraw/zinc/45/93/89/679459389.db2.gz XPJSCCRWTKRSHA-HIFRSBDPSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@]2(C)CCCOC2)C1 ZINC000972629782 679459390 /nfs/dbraw/zinc/45/93/90/679459390.db2.gz XPJSCCRWTKRSHA-HIFRSBDPSA-N 1 2 345.281 2.244 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3[nH]ccc3-c3ccccc3)C2)C1 ZINC000972633874 679469196 /nfs/dbraw/zinc/46/91/96/679469196.db2.gz INLMHAKIPJCBIS-OAQYLSRUSA-N 1 2 349.434 2.232 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3[nH]ccc3-c3ccccc3)C2)C1 ZINC000972633874 679469198 /nfs/dbraw/zinc/46/91/98/679469198.db2.gz INLMHAKIPJCBIS-OAQYLSRUSA-N 1 2 349.434 2.232 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3ccccc3OC)C2)C1 ZINC000972666369 679546158 /nfs/dbraw/zinc/54/61/58/679546158.db2.gz DGQLDZGGPMTEKF-HXUWFJFHSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3ccccc3OC)C2)C1 ZINC000972666369 679546163 /nfs/dbraw/zinc/54/61/63/679546163.db2.gz DGQLDZGGPMTEKF-HXUWFJFHSA-N 1 2 344.455 2.117 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cccs3)C2)C1 ZINC000972668859 679558266 /nfs/dbraw/zinc/55/82/66/679558266.db2.gz DTRSUBSGHYYHPY-GOSISDBHSA-N 1 2 332.469 2.007 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cccs3)C2)C1 ZINC000972668859 679558269 /nfs/dbraw/zinc/55/82/69/679558269.db2.gz DTRSUBSGHYYHPY-GOSISDBHSA-N 1 2 332.469 2.007 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cccs3)C2)C1 ZINC000972668860 679558436 /nfs/dbraw/zinc/55/84/36/679558436.db2.gz DTRSUBSGHYYHPY-SFHVURJKSA-N 1 2 332.469 2.007 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cccs3)C2)C1 ZINC000972668860 679558439 /nfs/dbraw/zinc/55/84/39/679558439.db2.gz DTRSUBSGHYYHPY-SFHVURJKSA-N 1 2 332.469 2.007 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc4c3CCC4)C2)C1 ZINC000972691938 679612805 /nfs/dbraw/zinc/61/28/05/679612805.db2.gz KEOYWJXUTMJNCV-HXUWFJFHSA-N 1 2 326.440 2.278 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc4c3CCC4)C2)C1 ZINC000972691938 679612807 /nfs/dbraw/zinc/61/28/07/679612807.db2.gz KEOYWJXUTMJNCV-HXUWFJFHSA-N 1 2 326.440 2.278 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c4ccc(C)cc43)C2)C1 ZINC000972694654 679618712 /nfs/dbraw/zinc/61/87/12/679618712.db2.gz PAIVNZIVSDCCDF-FQEVSTJZSA-N 1 2 337.423 2.026 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c4ccc(C)cc43)C2)C1 ZINC000972694654 679618713 /nfs/dbraw/zinc/61/87/13/679618713.db2.gz PAIVNZIVSDCCDF-FQEVSTJZSA-N 1 2 337.423 2.026 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3nc(C)c(C)o3)C2)cn1 ZINC000972756293 679749527 /nfs/dbraw/zinc/74/95/27/679749527.db2.gz LFILDOMBUVXROT-QGZVFWFLSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3nc(C)c(C)o3)C2)cn1 ZINC000972756293 679749528 /nfs/dbraw/zinc/74/95/28/679749528.db2.gz LFILDOMBUVXROT-QGZVFWFLSA-N 1 2 338.411 2.014 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccns2)[nH]1 ZINC001024397167 679889195 /nfs/dbraw/zinc/88/91/95/679889195.db2.gz ZVHCGULQVYNSJZ-ZDUSSCGKSA-N 1 2 329.429 2.127 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccns2)[nH]1 ZINC001024397167 679889196 /nfs/dbraw/zinc/88/91/96/679889196.db2.gz ZVHCGULQVYNSJZ-ZDUSSCGKSA-N 1 2 329.429 2.127 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2ncncc2C1 ZINC001024479117 679952263 /nfs/dbraw/zinc/95/22/63/679952263.db2.gz ZTGCCIPCERTPQI-GDBMZVCRSA-N 1 2 348.878 2.305 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2ncncc2C1 ZINC001024479117 679952266 /nfs/dbraw/zinc/95/22/66/679952266.db2.gz ZTGCCIPCERTPQI-GDBMZVCRSA-N 1 2 348.878 2.305 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2csnn2)s1 ZINC001024578352 681227786 /nfs/dbraw/zinc/22/77/86/681227786.db2.gz RJNVEKWOVNSMBD-NSHDSACASA-N 1 2 347.469 2.256 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2csnn2)s1 ZINC001024578352 681227790 /nfs/dbraw/zinc/22/77/90/681227790.db2.gz RJNVEKWOVNSMBD-NSHDSACASA-N 1 2 347.469 2.256 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2cnco2)s1 ZINC001024582986 681233594 /nfs/dbraw/zinc/23/35/94/681233594.db2.gz IAZZMSCGCWIKNX-GFCCVEGCSA-N 1 2 330.413 2.392 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2cnco2)s1 ZINC001024582986 681233595 /nfs/dbraw/zinc/23/35/95/681233595.db2.gz IAZZMSCGCWIKNX-GFCCVEGCSA-N 1 2 330.413 2.392 20 30 EEEDLO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(-c4ccoc4)[nH]n3)C[C@@]2(C)C1 ZINC000982807449 681299894 /nfs/dbraw/zinc/29/98/94/681299894.db2.gz FOYHTWQKVNSAFG-KDURUIRLSA-N 1 2 338.411 2.087 20 30 EEEDLO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(-c4ccoc4)[nH]n3)C[C@@]2(C)C1 ZINC000982807449 681299899 /nfs/dbraw/zinc/29/98/99/681299899.db2.gz FOYHTWQKVNSAFG-KDURUIRLSA-N 1 2 338.411 2.087 20 30 EEEDLO C=CCOc1ccc(C(=O)N[C@@H]2CCN(c3cc[nH+]c(C)n3)C2)cc1 ZINC001058597222 681492538 /nfs/dbraw/zinc/49/25/38/681492538.db2.gz ZOJDQVSLCUVMFJ-MRXNPFEDSA-N 1 2 338.411 2.359 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@H]2CCN(c3ccc(C#N)cn3)C2)c(C)[nH+]1 ZINC001058614521 682064207 /nfs/dbraw/zinc/06/42/07/682064207.db2.gz NSYYBTJDZYBRRY-INIZCTEOSA-N 1 2 335.411 2.282 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC001028809621 682268770 /nfs/dbraw/zinc/26/87/70/682268770.db2.gz LOUKBYMBTMEIFD-NOXAFNRCSA-N 1 2 333.259 2.335 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC001028809621 682268774 /nfs/dbraw/zinc/26/87/74/682268774.db2.gz LOUKBYMBTMEIFD-NOXAFNRCSA-N 1 2 333.259 2.335 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1[nH]nnc1C ZINC001025257722 682335761 /nfs/dbraw/zinc/33/57/61/682335761.db2.gz GLFDANMATNPHRR-KGLIPLIRSA-N 1 2 337.855 2.325 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2ccon2)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000993091658 683909586 /nfs/dbraw/zinc/90/95/86/683909586.db2.gz KZQZYHUNDHZYOO-BLLLJJGKSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2ccon2)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000993091658 683909589 /nfs/dbraw/zinc/90/95/89/683909589.db2.gz KZQZYHUNDHZYOO-BLLLJJGKSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cn[nH]c2)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000993119734 683950821 /nfs/dbraw/zinc/95/08/21/683950821.db2.gz VVFUSXKFZKIHGN-SJKOYZFVSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cn[nH]c2)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000993119734 683950824 /nfs/dbraw/zinc/95/08/24/683950824.db2.gz VVFUSXKFZKIHGN-SJKOYZFVSA-N 1 2 341.390 2.203 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)Cc3cc(C)on3)C2)cn1 ZINC001027656198 693812331 /nfs/dbraw/zinc/81/23/31/693812331.db2.gz LVLBBUVGQRKPDC-SFHVURJKSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3cc(C)on3)C2)cn1 ZINC001027656198 693812335 /nfs/dbraw/zinc/81/23/35/693812335.db2.gz LVLBBUVGQRKPDC-SFHVURJKSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cnc(C)nc2)cc1 ZINC001029417016 684420339 /nfs/dbraw/zinc/42/03/39/684420339.db2.gz GUEGFUOKWIBAAF-BGYRXZFFSA-N 1 2 346.434 2.255 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cnc(C)nc2)cc1 ZINC001029417016 684420342 /nfs/dbraw/zinc/42/03/42/684420342.db2.gz GUEGFUOKWIBAAF-BGYRXZFFSA-N 1 2 346.434 2.255 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)N1CCCCC1 ZINC001029422056 684482723 /nfs/dbraw/zinc/48/27/23/684482723.db2.gz SGDHAQCOAHTZBU-ZACQAIPSSA-N 1 2 347.503 2.275 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N1CCCCC1 ZINC001029422056 684482725 /nfs/dbraw/zinc/48/27/25/684482725.db2.gz SGDHAQCOAHTZBU-ZACQAIPSSA-N 1 2 347.503 2.275 20 30 EEEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)c1ncc[nH]1 ZINC000974576470 685071738 /nfs/dbraw/zinc/07/17/38/685071738.db2.gz IQARKAVGPXGYHP-HNNXBMFYSA-N 1 2 341.390 2.061 20 30 EEEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)c1ncc[nH]1 ZINC000974576470 685071745 /nfs/dbraw/zinc/07/17/45/685071745.db2.gz IQARKAVGPXGYHP-HNNXBMFYSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029527104 685686383 /nfs/dbraw/zinc/68/63/83/685686383.db2.gz DRELNNUORJSHLX-VWPFQQQWSA-N 1 2 345.468 2.220 20 30 EEEDLO C[C@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029527104 685686389 /nfs/dbraw/zinc/68/63/89/685686389.db2.gz DRELNNUORJSHLX-VWPFQQQWSA-N 1 2 345.468 2.220 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001060177559 694256704 /nfs/dbraw/zinc/25/67/04/694256704.db2.gz AYLHPDSQYJPMFQ-CVEARBPZSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001060177559 694256707 /nfs/dbraw/zinc/25/67/07/694256707.db2.gz AYLHPDSQYJPMFQ-CVEARBPZSA-N 1 2 346.475 2.299 20 30 EEEDLO Cc1conc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000989427964 691716326 /nfs/dbraw/zinc/71/63/26/691716326.db2.gz WFIZOJXQBOXBTA-UHFFFAOYSA-N 1 2 342.374 2.342 20 30 EEEDLO Cc1conc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000989427964 691716330 /nfs/dbraw/zinc/71/63/30/691716330.db2.gz WFIZOJXQBOXBTA-UHFFFAOYSA-N 1 2 342.374 2.342 20 30 EEEDLO CCn1cnc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)c1 ZINC000989492151 691977140 /nfs/dbraw/zinc/97/71/40/691977140.db2.gz JCIYCGAQWZNUDU-UHFFFAOYSA-N 1 2 343.456 2.184 20 30 EEEDLO CCn1cnc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)c1 ZINC000989492151 691977141 /nfs/dbraw/zinc/97/71/41/691977141.db2.gz JCIYCGAQWZNUDU-UHFFFAOYSA-N 1 2 343.456 2.184 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)CC1(C)C ZINC000977412759 692596797 /nfs/dbraw/zinc/59/67/97/692596797.db2.gz ZJHZATOBKRIUCO-MRXNPFEDSA-N 1 2 338.411 2.495 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC1(C)C ZINC000977412759 692596799 /nfs/dbraw/zinc/59/67/99/692596799.db2.gz ZJHZATOBKRIUCO-MRXNPFEDSA-N 1 2 338.411 2.495 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnc3n[nH]c(C)c3c2)C(C)(C)C1 ZINC000977597434 692794895 /nfs/dbraw/zinc/79/48/95/692794895.db2.gz XHOUFQBXUZQURU-AWEZNQCLSA-N 1 2 347.850 2.459 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnc3n[nH]c(C)c3c2)C(C)(C)C1 ZINC000977597434 692794897 /nfs/dbraw/zinc/79/48/97/692794897.db2.gz XHOUFQBXUZQURU-AWEZNQCLSA-N 1 2 347.850 2.459 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060041566 693006774 /nfs/dbraw/zinc/00/67/74/693006774.db2.gz AGWOLJHWUCGCIG-ZBFHGGJFSA-N 1 2 346.475 2.218 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2OCC[C@H]2C)C1 ZINC001027580473 693234263 /nfs/dbraw/zinc/23/42/63/693234263.db2.gz KGEYSJXJMGRKND-XBFCOCLRSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2OCC[C@H]2C)C1 ZINC001027580473 693234266 /nfs/dbraw/zinc/23/42/66/693234266.db2.gz KGEYSJXJMGRKND-XBFCOCLRSA-N 1 2 345.281 2.243 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)C2CCCCCCC2)C1=O ZINC001038494723 693643992 /nfs/dbraw/zinc/64/39/92/693643992.db2.gz WRHFYJMZGICELP-QZTJIDSGSA-N 1 2 347.503 2.324 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)C2CCCCCCC2)C1=O ZINC001038494723 693643994 /nfs/dbraw/zinc/64/39/94/693643994.db2.gz WRHFYJMZGICELP-QZTJIDSGSA-N 1 2 347.503 2.324 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC000990778340 693717598 /nfs/dbraw/zinc/71/75/98/693717598.db2.gz UBKBZTSTPRACFX-AWEZNQCLSA-N 1 2 346.475 2.298 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)c3nccs3)C2)c1 ZINC001032067499 1192089376 /nfs/dbraw/zinc/08/93/76/1192089376.db2.gz JONAWGOKPMGXBA-UHFFFAOYSA-N 1 2 330.388 2.016 20 30 EEEDLO C[C@H]1OCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001032074901 1192194173 /nfs/dbraw/zinc/19/41/73/1192194173.db2.gz ZKXUBDMZJKXRLW-RDTXWAMCSA-N 1 2 346.858 2.165 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cn3ccccc3n2)C1 ZINC001032170410 1192826228 /nfs/dbraw/zinc/82/62/28/1192826228.db2.gz ZWCSZBSZZDKVLG-UHFFFAOYSA-N 1 2 345.406 2.068 20 30 EEEDLO Cc1c[nH]cc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001032185346 1192896824 /nfs/dbraw/zinc/89/68/24/1192896824.db2.gz ITXNRVICVHMOIE-UHFFFAOYSA-N 1 2 326.375 2.196 20 30 EEEDLO C[C@@H](CC(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F)n1cccn1 ZINC001480933739 1178785515 /nfs/dbraw/zinc/78/55/15/1178785515.db2.gz ONWZBXQNWWYIDP-AWEZNQCLSA-N 1 2 343.406 2.093 20 30 EEEDLO C[C@@H](CC(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F)n1cccn1 ZINC001480933739 1178785520 /nfs/dbraw/zinc/78/55/20/1178785520.db2.gz ONWZBXQNWWYIDP-AWEZNQCLSA-N 1 2 343.406 2.093 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cscn3)C[C@@H]2C)cn1 ZINC000944215810 1192954561 /nfs/dbraw/zinc/95/45/61/1192954561.db2.gz VEOYCWDQLYLMAU-GUYCJALGSA-N 1 2 340.452 2.160 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cscn3)C[C@@H]2C)cn1 ZINC000944215810 1192954565 /nfs/dbraw/zinc/95/45/65/1192954565.db2.gz VEOYCWDQLYLMAU-GUYCJALGSA-N 1 2 340.452 2.160 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC(OC)C2)C1 ZINC001033871085 1195425303 /nfs/dbraw/zinc/42/53/03/1195425303.db2.gz WSXANWFALRKRTF-ROKHWSDSSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CCC(=O)N(CC)CC)C1 ZINC001481782609 1182695135 /nfs/dbraw/zinc/69/51/35/1182695135.db2.gz RDDWMRWLSLXSGM-HNNXBMFYSA-N 1 2 343.899 2.310 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CCC(=O)N(CC)CC)C1 ZINC001481782609 1182695137 /nfs/dbraw/zinc/69/51/37/1182695137.db2.gz RDDWMRWLSLXSGM-HNNXBMFYSA-N 1 2 343.899 2.310 20 30 EEEDLO C=C(C)CN1CC2(CCC1=O)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001269174600 1184028634 /nfs/dbraw/zinc/02/86/34/1184028634.db2.gz AKURKAFNMBALFD-UHFFFAOYSA-N 1 2 344.459 2.150 20 30 EEEDLO N#Cc1ccc2[nH]c(C(=O)N3CC4(C3)C[NH+](Cc3ccc[nH]3)C4)cc2c1 ZINC001270213901 1184925377 /nfs/dbraw/zinc/92/53/77/1184925377.db2.gz KQVPSXFJWOYWMX-UHFFFAOYSA-N 1 2 345.406 2.326 20 30 EEEDLO N#CCCCN1C(=O)COCC12C[NH+](Cc1ccc3occc3c1)C2 ZINC001272880001 1193590699 /nfs/dbraw/zinc/59/06/99/1193590699.db2.gz AZSINDKCWJINKJ-UHFFFAOYSA-N 1 2 339.395 2.150 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(NC(N)=O)cc3)[C@@H]2C1 ZINC001076534087 1188981724 /nfs/dbraw/zinc/98/17/24/1188981724.db2.gz DAVYLIGXZBNFMD-DZGCQCFKSA-N 1 2 348.834 2.076 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(NC(N)=O)cc3)[C@@H]2C1 ZINC001076534087 1188981725 /nfs/dbraw/zinc/98/17/25/1188981725.db2.gz DAVYLIGXZBNFMD-DZGCQCFKSA-N 1 2 348.834 2.076 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001077116238 1189341557 /nfs/dbraw/zinc/34/15/57/1189341557.db2.gz LFMZRNIXEDCANJ-LSDHHAIUSA-N 1 2 346.475 2.059 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C(F)(F)F)nn2)C1=O ZINC001272507603 1190857292 /nfs/dbraw/zinc/85/72/92/1190857292.db2.gz HPLHBSVIRBYJSJ-HNNXBMFYSA-N 1 2 340.349 2.248 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C(F)(F)F)nn2)C1=O ZINC001272507603 1190857296 /nfs/dbraw/zinc/85/72/96/1190857296.db2.gz HPLHBSVIRBYJSJ-HNNXBMFYSA-N 1 2 340.349 2.248 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1CCN(CC(F)F)CC1 ZINC001485343730 1191747514 /nfs/dbraw/zinc/74/75/14/1191747514.db2.gz KJNPSUYCYRSMFM-LBPRGKRZSA-N 1 2 337.842 2.153 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1CCN(CC(F)F)CC1 ZINC001485343730 1191747516 /nfs/dbraw/zinc/74/75/16/1191747516.db2.gz KJNPSUYCYRSMFM-LBPRGKRZSA-N 1 2 337.842 2.153 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001033431485 1194567752 /nfs/dbraw/zinc/56/77/52/1194567752.db2.gz DPKJVLVFTNFUEF-XHSDSOJGSA-N 1 2 349.862 2.359 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001033431485 1194567758 /nfs/dbraw/zinc/56/77/58/1194567758.db2.gz DPKJVLVFTNFUEF-XHSDSOJGSA-N 1 2 349.862 2.359 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001033470386 1194610591 /nfs/dbraw/zinc/61/05/91/1194610591.db2.gz XBATUBHUQBRQAF-OAHLLOKOSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001033470386 1194610593 /nfs/dbraw/zinc/61/05/93/1194610593.db2.gz XBATUBHUQBRQAF-OAHLLOKOSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2nn(C)c3ccccc23)C1 ZINC001033588046 1194916610 /nfs/dbraw/zinc/91/66/10/1194916610.db2.gz BSMDGKCEUDCIER-CYBMUJFWSA-N 1 2 332.835 2.472 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nn(C)c3ccccc23)C1 ZINC001033588046 1194916612 /nfs/dbraw/zinc/91/66/12/1194916612.db2.gz BSMDGKCEUDCIER-CYBMUJFWSA-N 1 2 332.835 2.472 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ncoc2-c2ccon2)C1 ZINC001033589264 1194918146 /nfs/dbraw/zinc/91/81/46/1194918146.db2.gz QFOIGNHATJLAPL-LLVKDONJSA-N 1 2 336.779 2.228 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ncoc2-c2ccon2)C1 ZINC001033589264 1194918151 /nfs/dbraw/zinc/91/81/51/1194918151.db2.gz QFOIGNHATJLAPL-LLVKDONJSA-N 1 2 336.779 2.228 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001014730607 1224253622 /nfs/dbraw/zinc/25/36/22/1224253622.db2.gz DPDRIIUGSXMHME-CQSZACIVSA-N 1 2 330.457 2.443 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001014730607 1224253631 /nfs/dbraw/zinc/25/36/31/1224253631.db2.gz DPDRIIUGSXMHME-CQSZACIVSA-N 1 2 330.457 2.443 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)c2c(C)nn(C)c2C)C1 ZINC001033707719 1195105202 /nfs/dbraw/zinc/10/52/02/1195105202.db2.gz PMBDUXVNWHVCJN-IUODEOHRSA-N 1 2 338.883 2.426 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)c2c(C)nn(C)c2C)C1 ZINC001033707719 1195105208 /nfs/dbraw/zinc/10/52/08/1195105208.db2.gz PMBDUXVNWHVCJN-IUODEOHRSA-N 1 2 338.883 2.426 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(Cl)nn(C)c1Cl ZINC001018053996 1224264442 /nfs/dbraw/zinc/26/44/42/1224264442.db2.gz DBPHRXRBDVXTFP-PHIMTYICSA-N 1 2 341.242 2.039 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(Cl)nn(C)c1Cl ZINC001018053996 1224264447 /nfs/dbraw/zinc/26/44/47/1224264447.db2.gz DBPHRXRBDVXTFP-PHIMTYICSA-N 1 2 341.242 2.039 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnc3nccnc3c2)C1 ZINC001033860875 1195405486 /nfs/dbraw/zinc/40/54/86/1195405486.db2.gz PKPAQIANSAGIRM-AWEZNQCLSA-N 1 2 345.834 2.314 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnc3nccnc3c2)C1 ZINC001033860875 1195405490 /nfs/dbraw/zinc/40/54/90/1195405490.db2.gz PKPAQIANSAGIRM-AWEZNQCLSA-N 1 2 345.834 2.314 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001033877321 1195415141 /nfs/dbraw/zinc/41/51/41/1195415141.db2.gz ISINDJKMOHXACM-GDBMZVCRSA-N 1 2 336.867 2.121 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001033877321 1195415143 /nfs/dbraw/zinc/41/51/43/1195415143.db2.gz ISINDJKMOHXACM-GDBMZVCRSA-N 1 2 336.867 2.121 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)C2CC(OC)C2)C1 ZINC001033871085 1195425302 /nfs/dbraw/zinc/42/53/02/1195425302.db2.gz WSXANWFALRKRTF-ROKHWSDSSA-N 1 2 345.281 2.243 20 30 EEEDLO Cc1ccc(C#N)c(NCCCC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001090157905 1195508989 /nfs/dbraw/zinc/50/89/89/1195508989.db2.gz YVASSTNGCYIUIQ-ZDUSSCGKSA-N 1 2 340.431 2.314 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3n[nH]nc3c2)C1 ZINC001034035034 1195665881 /nfs/dbraw/zinc/66/58/81/1195665881.db2.gz OTAKKXZFILLIDL-ZDUSSCGKSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3n[nH]nc3c2)C1 ZINC001034035034 1195665885 /nfs/dbraw/zinc/66/58/85/1195665885.db2.gz OTAKKXZFILLIDL-ZDUSSCGKSA-N 1 2 333.823 2.247 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)c(C)o1 ZINC001034171282 1195893215 /nfs/dbraw/zinc/89/32/15/1195893215.db2.gz MNOGJYDJPDIWJB-OAHLLOKOSA-N 1 2 341.415 2.276 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)c(C)o1 ZINC001034171282 1195893217 /nfs/dbraw/zinc/89/32/17/1195893217.db2.gz MNOGJYDJPDIWJB-OAHLLOKOSA-N 1 2 341.415 2.276 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2nccs2)C1 ZINC001034404245 1196196754 /nfs/dbraw/zinc/19/67/54/1196196754.db2.gz QJHHVEYTQMUVEI-KFWWJZLASA-N 1 2 335.473 2.205 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2nccs2)C1 ZINC001034404245 1196196757 /nfs/dbraw/zinc/19/67/57/1196196757.db2.gz QJHHVEYTQMUVEI-KFWWJZLASA-N 1 2 335.473 2.205 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2c(C)nn(C)c2OC)C1 ZINC001034426303 1196203330 /nfs/dbraw/zinc/20/33/30/1196203330.db2.gz FWLCYIMEBMTDBB-CYBMUJFWSA-N 1 2 340.855 2.074 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2c(C)nn(C)c2OC)C1 ZINC001034426303 1196203333 /nfs/dbraw/zinc/20/33/33/1196203333.db2.gz FWLCYIMEBMTDBB-CYBMUJFWSA-N 1 2 340.855 2.074 20 30 EEEDLO CC(C)[C@H](F)C(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108141435 1196524215 /nfs/dbraw/zinc/52/42/15/1196524215.db2.gz XMQPIEIXFOBGDN-HKUYNNGSSA-N 1 2 347.434 2.259 20 30 EEEDLO CC(C)[C@H](F)C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108141435 1196524218 /nfs/dbraw/zinc/52/42/18/1196524218.db2.gz XMQPIEIXFOBGDN-HKUYNNGSSA-N 1 2 347.434 2.259 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1noc(C)n1 ZINC001034959381 1196921170 /nfs/dbraw/zinc/92/11/70/1196921170.db2.gz YGLOWAYFDKTNBN-UKRRQHHQSA-N 1 2 343.431 2.321 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C(F)(F)F)c1 ZINC001018141981 1224385180 /nfs/dbraw/zinc/38/51/80/1224385180.db2.gz IESLVNHHZVKDTH-OKILXGFUSA-N 1 2 337.345 2.413 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C(F)(F)F)c1 ZINC001018141981 1224385187 /nfs/dbraw/zinc/38/51/87/1224385187.db2.gz IESLVNHHZVKDTH-OKILXGFUSA-N 1 2 337.345 2.413 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2cc(OC)ccc2OC)C1 ZINC001014816911 1224393935 /nfs/dbraw/zinc/39/39/35/1224393935.db2.gz RZQSNIYASGCNLS-CQSZACIVSA-N 1 2 338.835 2.189 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc(OC)ccc2OC)C1 ZINC001014816911 1224393940 /nfs/dbraw/zinc/39/39/40/1224393940.db2.gz RZQSNIYASGCNLS-CQSZACIVSA-N 1 2 338.835 2.189 20 30 EEEDLO N#C[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000923630811 1197744693 /nfs/dbraw/zinc/74/46/93/1197744693.db2.gz BALYTQJWROKONR-OAHLLOKOSA-N 1 2 345.472 2.080 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2cccc(CC#N)c2)C1 ZINC000795185322 1197823175 /nfs/dbraw/zinc/82/31/75/1197823175.db2.gz CZGJFCXJQVZINL-OAHLLOKOSA-N 1 2 344.440 2.054 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1OCCc2ccsc21 ZINC001018192580 1224448935 /nfs/dbraw/zinc/44/89/35/1224448935.db2.gz MWBFHZYXKXHBAL-XHSDSOJGSA-N 1 2 330.453 2.060 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1OCCc2ccsc21 ZINC001018192580 1224448938 /nfs/dbraw/zinc/44/89/38/1224448938.db2.gz MWBFHZYXKXHBAL-XHSDSOJGSA-N 1 2 330.453 2.060 20 30 EEEDLO C#CC[C@H]1NC(=O)N(CCN(Cc2ccccc2)c2cccc[nH+]2)C1=O ZINC000871911117 1197968140 /nfs/dbraw/zinc/96/81/40/1197968140.db2.gz IWQUYYBBNUGVAA-QGZVFWFLSA-N 1 2 348.406 2.032 20 30 EEEDLO COc1cc(C[N@@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)on1 ZINC001132037768 1199221818 /nfs/dbraw/zinc/22/18/18/1199221818.db2.gz IFMWLMQTZBKOIX-KGLIPLIRSA-N 1 2 333.432 2.202 20 30 EEEDLO COc1cc(C[N@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)on1 ZINC001132037768 1199221820 /nfs/dbraw/zinc/22/18/20/1199221820.db2.gz IFMWLMQTZBKOIX-KGLIPLIRSA-N 1 2 333.432 2.202 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CNC(=O)C2CCCC2)CC[C@H]1C ZINC001132060171 1199247637 /nfs/dbraw/zinc/24/76/37/1199247637.db2.gz AVIKHHBULRTTRX-HIFRSBDPSA-N 1 2 341.883 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)C2CCCC2)CC[C@H]1C ZINC001132060171 1199247640 /nfs/dbraw/zinc/24/76/40/1199247640.db2.gz AVIKHHBULRTTRX-HIFRSBDPSA-N 1 2 341.883 2.014 20 30 EEEDLO C#CC[C@H](CCOC)NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000875919144 1199432889 /nfs/dbraw/zinc/43/28/89/1199432889.db2.gz BVXSCEMNPJLXKQ-OAHLLOKOSA-N 1 2 333.432 2.277 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1O ZINC001090517893 1199442422 /nfs/dbraw/zinc/44/24/22/1199442422.db2.gz NXUAQLLOVNNXAJ-ARFHVFGLSA-N 1 2 346.475 2.176 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=O)NCC(C)C)C2)CC1 ZINC001132291382 1199544823 /nfs/dbraw/zinc/54/48/23/1199544823.db2.gz KIHXGSMGMHJQEP-FUHWJXTLSA-N 1 2 349.519 2.474 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(=O)NCC(C)C)C2)CC1 ZINC001132291382 1199544825 /nfs/dbraw/zinc/54/48/25/1199544825.db2.gz KIHXGSMGMHJQEP-FUHWJXTLSA-N 1 2 349.519 2.474 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(CF)CCOCC2)CC[C@H]1C ZINC001132309675 1199559406 /nfs/dbraw/zinc/55/94/06/1199559406.db2.gz BDDKVAGYYIFTLI-ZIAGYGMSSA-N 1 2 332.847 2.474 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(CF)CCOCC2)CC[C@H]1C ZINC001132309675 1199559409 /nfs/dbraw/zinc/55/94/09/1199559409.db2.gz BDDKVAGYYIFTLI-ZIAGYGMSSA-N 1 2 332.847 2.474 20 30 EEEDLO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2n[nH]c3ccccc32)CC[C@@H]1C ZINC001132457769 1199721244 /nfs/dbraw/zinc/72/12/44/1199721244.db2.gz MXXNFENCZTUCKQ-GJZGRUSLSA-N 1 2 342.443 2.348 20 30 EEEDLO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c3ccccc32)CC[C@@H]1C ZINC001132457769 1199721247 /nfs/dbraw/zinc/72/12/47/1199721247.db2.gz MXXNFENCZTUCKQ-GJZGRUSLSA-N 1 2 342.443 2.348 20 30 EEEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C3CC3)s2)CC[C@@H]1C ZINC001132448407 1199738516 /nfs/dbraw/zinc/73/85/16/1199738516.db2.gz JDAHRWDDJVAYGH-ZFWWWQNUSA-N 1 2 347.484 2.253 20 30 EEEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cnc(C3CC3)s2)CC[C@@H]1C ZINC001132448407 1199738518 /nfs/dbraw/zinc/73/85/18/1199738518.db2.gz JDAHRWDDJVAYGH-ZFWWWQNUSA-N 1 2 347.484 2.253 20 30 EEEDLO Cn1c(N)nc(Cl)c1C=[NH+]Nc1ccnc(Br)c1 ZINC000814904731 1199790175 /nfs/dbraw/zinc/79/01/75/1199790175.db2.gz WMLYRDZXJBZELZ-UHFFFAOYSA-N 1 2 329.589 2.259 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cncc(F)c2)C1 ZINC001132529432 1199826747 /nfs/dbraw/zinc/82/67/47/1199826747.db2.gz MPCYKEVUVVOVBN-YOEHRIQHSA-N 1 2 335.423 2.283 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cncc(F)c2)C1 ZINC001132529432 1199826752 /nfs/dbraw/zinc/82/67/52/1199826752.db2.gz MPCYKEVUVVOVBN-YOEHRIQHSA-N 1 2 335.423 2.283 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCC[NH2+]Cc1nnc(Cc2ccccc2)o1 ZINC001132663278 1199912920 /nfs/dbraw/zinc/91/29/20/1199912920.db2.gz TYMXQXOMPXLVNI-HNNXBMFYSA-N 1 2 342.443 2.469 20 30 EEEDLO COc1cccc(C[NH+]2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)c1 ZINC000870156145 1200519638 /nfs/dbraw/zinc/51/96/38/1200519638.db2.gz IZBIYIUMNOOCER-UHFFFAOYSA-N 1 2 349.434 2.454 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000879173888 1200905253 /nfs/dbraw/zinc/90/52/53/1200905253.db2.gz HPZKQXWAWONGHO-CQSZACIVSA-N 1 2 339.480 2.256 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000879173888 1200905257 /nfs/dbraw/zinc/90/52/57/1200905257.db2.gz HPZKQXWAWONGHO-CQSZACIVSA-N 1 2 339.480 2.256 20 30 EEEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2nc(-c3cccs3)no2)C1 ZINC001133564241 1201052351 /nfs/dbraw/zinc/05/23/51/1201052351.db2.gz LARIJSOYFPRAAL-UHFFFAOYSA-N 1 2 332.429 2.360 20 30 EEEDLO COc1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1C#N ZINC000880874125 1201598017 /nfs/dbraw/zinc/59/80/17/1201598017.db2.gz UODHLRUQEABFRU-UHFFFAOYSA-N 1 2 339.399 2.464 20 30 EEEDLO CCCc1n[nH]cc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001015050840 1224686631 /nfs/dbraw/zinc/68/66/31/1224686631.db2.gz VVXXIXYHTGRHDL-LBPRGKRZSA-N 1 2 343.456 2.300 20 30 EEEDLO CCCc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001015050840 1224686634 /nfs/dbraw/zinc/68/66/34/1224686634.db2.gz VVXXIXYHTGRHDL-LBPRGKRZSA-N 1 2 343.456 2.300 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)nn1 ZINC000881340272 1201680239 /nfs/dbraw/zinc/68/02/39/1201680239.db2.gz OXVVPPOATPJYOL-MRXNPFEDSA-N 1 2 343.818 2.238 20 30 EEEDLO N#Cc1ccncc1N1CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000795041876 1201890018 /nfs/dbraw/zinc/89/00/18/1201890018.db2.gz LNSSVAGNTMTVQT-GOSISDBHSA-N 1 2 344.365 2.087 20 30 EEEDLO N#CCC1(CS(=O)(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000882837464 1201954217 /nfs/dbraw/zinc/95/42/17/1201954217.db2.gz IHKNPYGVPBWYBG-MRXNPFEDSA-N 1 2 344.440 2.238 20 30 EEEDLO C#Cc1ccc(C(=O)NCC2(C)CCN(c3cc[nH+]c(C)n3)CC2)nc1 ZINC001110884220 1204964185 /nfs/dbraw/zinc/96/41/85/1204964185.db2.gz ZSHBVWPTQPRXPV-UHFFFAOYSA-N 1 2 349.438 2.198 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(Cl)cc(C)n1)C2 ZINC001274449693 1205040932 /nfs/dbraw/zinc/04/09/32/1205040932.db2.gz IXAPCFAADFVVMD-SFHVURJKSA-N 1 2 349.862 2.280 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(Cl)cc(C)n1)C2 ZINC001274449693 1205040934 /nfs/dbraw/zinc/04/09/34/1205040934.db2.gz IXAPCFAADFVVMD-SFHVURJKSA-N 1 2 349.862 2.280 20 30 EEEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC[C@@]23CC(=O)N(CC(F)F)C3)c1 ZINC001274667746 1205124772 /nfs/dbraw/zinc/12/47/72/1205124772.db2.gz RBQFQPAZVBUWQM-SFHVURJKSA-N 1 2 349.381 2.486 20 30 EEEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC[C@@]23CC(=O)N(CC(F)F)C3)c1 ZINC001274667746 1205124774 /nfs/dbraw/zinc/12/47/74/1205124774.db2.gz RBQFQPAZVBUWQM-SFHVURJKSA-N 1 2 349.381 2.486 20 30 EEEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc3ncsc3c1)C2 ZINC001274711211 1205138758 /nfs/dbraw/zinc/13/87/58/1205138758.db2.gz BMCXKVMQYDCKGA-UHFFFAOYSA-N 1 2 343.452 2.286 20 30 EEEDLO C=CCN1CC[C@]2(CCN(c3nc(NC(C)C)c(C)c[nH+]3)C2)C1=O ZINC001274725641 1205143944 /nfs/dbraw/zinc/14/39/44/1205143944.db2.gz BBYNCCDHFBLGHU-GOSISDBHSA-N 1 2 329.448 2.220 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C#N)n(C)c2)ccn1 ZINC001275082897 1205251647 /nfs/dbraw/zinc/25/16/47/1205251647.db2.gz ITGNHHQWVXMDFG-HDICACEKSA-N 1 2 349.438 2.089 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C#N)n(C)c2)ccn1 ZINC001275082897 1205251649 /nfs/dbraw/zinc/25/16/49/1205251649.db2.gz ITGNHHQWVXMDFG-HDICACEKSA-N 1 2 349.438 2.089 20 30 EEEDLO Cc1nc(N2CCC[C@](C)(CNC(=O)[C@@H](C)C#N)C2)c(C)c(C)[nH+]1 ZINC001110927765 1206291472 /nfs/dbraw/zinc/29/14/72/1206291472.db2.gz FKKGMKNZCPWZHQ-KPZWWZAWSA-N 1 2 329.448 2.284 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(OC)n1 ZINC001110933955 1206314830 /nfs/dbraw/zinc/31/48/30/1206314830.db2.gz UTPNYZYHGUUVSW-SVGFKBNWSA-N 1 2 344.459 2.309 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(OC)n1 ZINC001110933955 1206314831 /nfs/dbraw/zinc/31/48/31/1206314831.db2.gz UTPNYZYHGUUVSW-SVGFKBNWSA-N 1 2 344.459 2.309 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)c1ncc(C)o1 ZINC001111486414 1206397389 /nfs/dbraw/zinc/39/73/89/1206397389.db2.gz NPBVQDOLGGGYMR-FPCVCCKLSA-N 1 2 333.432 2.358 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ncc(C)o1 ZINC001111486414 1206397390 /nfs/dbraw/zinc/39/73/90/1206397390.db2.gz NPBVQDOLGGGYMR-FPCVCCKLSA-N 1 2 333.432 2.358 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ncc(C)o1 ZINC001111486415 1206397539 /nfs/dbraw/zinc/39/75/39/1206397539.db2.gz NPBVQDOLGGGYMR-JJXSEGSLSA-N 1 2 333.432 2.358 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ncc(C)o1 ZINC001111486415 1206397541 /nfs/dbraw/zinc/39/75/41/1206397541.db2.gz NPBVQDOLGGGYMR-JJXSEGSLSA-N 1 2 333.432 2.358 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1onc2c1CCCC2 ZINC001015263101 1225003863 /nfs/dbraw/zinc/00/38/63/1225003863.db2.gz KAJNJJXJRHOAFQ-QGZVFWFLSA-N 1 2 349.434 2.409 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1onc2c1CCCC2 ZINC001015263101 1225003867 /nfs/dbraw/zinc/00/38/67/1225003867.db2.gz KAJNJJXJRHOAFQ-QGZVFWFLSA-N 1 2 349.434 2.409 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]([C@H](C)Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001111230834 1208397888 /nfs/dbraw/zinc/39/78/88/1208397888.db2.gz RJANCWOGSPUWKF-DZGCQCFKSA-N 1 2 346.479 2.251 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOC1CCOCC1)C2 ZINC001111261409 1208496746 /nfs/dbraw/zinc/49/67/46/1208496746.db2.gz PTZZSUMDJGIVSV-BMFZPTHFSA-N 1 2 342.867 2.046 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOC1CCOCC1)C2 ZINC001111261409 1208496747 /nfs/dbraw/zinc/49/67/47/1208496747.db2.gz PTZZSUMDJGIVSV-BMFZPTHFSA-N 1 2 342.867 2.046 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001095789991 1208520409 /nfs/dbraw/zinc/52/04/09/1208520409.db2.gz IGDVJDFFLREYJP-HIFRSBDPSA-N 1 2 346.479 2.394 20 30 EEEDLO C=C(C)CC[NH+]1CCN(C(=O)c2cn[nH]c2-c2ccccn2)CC1 ZINC000948686625 1209298334 /nfs/dbraw/zinc/29/83/34/1209298334.db2.gz JMBDHDCENLIPCP-UHFFFAOYSA-N 1 2 325.416 2.196 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1n[nH]c(C)c1C ZINC000948898086 1209442539 /nfs/dbraw/zinc/44/25/39/1209442539.db2.gz CBBUBXOFWNYZOA-SFHVURJKSA-N 1 2 336.439 2.379 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1n[nH]c(C)c1C ZINC000948898086 1209442541 /nfs/dbraw/zinc/44/25/41/1209442541.db2.gz CBBUBXOFWNYZOA-SFHVURJKSA-N 1 2 336.439 2.379 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccnc(N(C)C)c1 ZINC000948965099 1209477417 /nfs/dbraw/zinc/47/74/17/1209477417.db2.gz FLQIEOUDKAWTBY-LJQANCHMSA-N 1 2 348.450 2.110 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccnc(N(C)C)c1 ZINC000948965099 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/nfs/dbraw/zinc/65/47/78/1226654778.db2.gz LSLKMNPWWQGKMU-CQSZACIVSA-N 1 2 342.424 2.028 20 30 EEEDLO COc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)sn1 ZINC001014469630 1226654782 /nfs/dbraw/zinc/65/47/82/1226654782.db2.gz LSLKMNPWWQGKMU-CQSZACIVSA-N 1 2 342.424 2.028 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2nnc(C3CC3)s2)C1 ZINC001017070160 1227090127 /nfs/dbraw/zinc/09/01/27/1227090127.db2.gz CAHUJOLMYUGADA-OLZOCXBDSA-N 1 2 347.488 2.246 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2nnc(C3CC3)s2)C1 ZINC001017070160 1227090132 /nfs/dbraw/zinc/09/01/32/1227090132.db2.gz CAHUJOLMYUGADA-OLZOCXBDSA-N 1 2 347.488 2.246 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCCCO2)c1 ZINC001017478187 1227454967 /nfs/dbraw/zinc/45/49/67/1227454967.db2.gz MDBKMLZKTDPBJX-OTWHNJEPSA-N 1 2 339.439 2.303 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCCCO2)c1 ZINC001017478187 1227454972 /nfs/dbraw/zinc/45/49/72/1227454972.db2.gz MDBKMLZKTDPBJX-OTWHNJEPSA-N 1 2 339.439 2.303 20 30 EEEDLO Cc1nsc(C)c1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017541472 1227504849 /nfs/dbraw/zinc/50/48/49/1227504849.db2.gz ZKRDXQWBRLAEGX-IYBDPMFKSA-N 1 2 329.469 2.349 20 30 EEEDLO Cc1nsc(C)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017541472 1227504851 /nfs/dbraw/zinc/50/48/51/1227504851.db2.gz ZKRDXQWBRLAEGX-IYBDPMFKSA-N 1 2 329.469 2.349 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COc2cc(F)ccc2C1 ZINC001017549950 1227512451 /nfs/dbraw/zinc/51/24/51/1227512451.db2.gz PNYGFXWCJSKMPP-NXHRZFHOSA-N 1 2 342.414 2.075 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COc2cc(F)ccc2C1 ZINC001017549950 1227512452 /nfs/dbraw/zinc/51/24/52/1227512452.db2.gz PNYGFXWCJSKMPP-NXHRZFHOSA-N 1 2 342.414 2.075 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Oc1cccc(F)c1 ZINC001017574691 1227536465 /nfs/dbraw/zinc/53/64/65/1227536465.db2.gz QUSZIDGVMIZMLQ-OIISXLGYSA-N 1 2 330.403 2.292 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Oc1cccc(F)c1 ZINC001017574691 1227536470 /nfs/dbraw/zinc/53/64/70/1227536470.db2.gz QUSZIDGVMIZMLQ-OIISXLGYSA-N 1 2 330.403 2.292 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CCc2cccnc21 ZINC001038638792 1228390372 /nfs/dbraw/zinc/39/03/72/1228390372.db2.gz QKDQEOMYVIAPRU-VQTJNVASSA-N 1 2 345.446 2.354 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CCc2cccnc21 ZINC001038638792 1228390379 /nfs/dbraw/zinc/39/03/79/1228390379.db2.gz QKDQEOMYVIAPRU-VQTJNVASSA-N 1 2 345.446 2.354 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nc(C(F)F)no3)C2)CC1 ZINC001019331424 1228997087 /nfs/dbraw/zinc/99/70/87/1228997087.db2.gz YQHDGAZAQHCBRJ-LBPRGKRZSA-N 1 2 340.374 2.444 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C(C)(C)C)o3)C2)C1 ZINC001019352100 1229020611 /nfs/dbraw/zinc/02/06/11/1229020611.db2.gz BGVXXRQHTNZGMK-ZDUSSCGKSA-N 1 2 332.448 2.414 20 30 EEEDLO CCCn1nccc1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038295594 1229728635 /nfs/dbraw/zinc/72/86/35/1229728635.db2.gz HBNDKMDUYQNZGD-QGZVFWFLSA-N 1 2 337.427 2.169 20 30 EEEDLO CCCn1nccc1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038295594 1229728640 /nfs/dbraw/zinc/72/86/40/1229728640.db2.gz HBNDKMDUYQNZGD-QGZVFWFLSA-N 1 2 337.427 2.169 20 30 EEEDLO C=C(Br)CN1CC[C@@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001038510126 1229882515 /nfs/dbraw/zinc/88/25/15/1229882515.db2.gz JDBWEYGQAQJEHC-GFCCVEGCSA-N 1 2 349.232 2.047 20 30 EEEDLO CCc1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)c(C)nn1 ZINC001038555231 1229913041 /nfs/dbraw/zinc/91/30/41/1229913041.db2.gz KRQIPJIJQMNLJO-GOSISDBHSA-N 1 2 349.438 2.223 20 30 EEEDLO CCc1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)c(C)nn1 ZINC001038555231 1229913044 /nfs/dbraw/zinc/91/30/44/1229913044.db2.gz KRQIPJIJQMNLJO-GOSISDBHSA-N 1 2 349.438 2.223 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cnc(C)s2)cc1 ZINC001038578811 1229925861 /nfs/dbraw/zinc/92/58/61/1229925861.db2.gz PEOGAHIQTVINIM-INIZCTEOSA-N 1 2 325.437 2.437 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cnc(C)s2)cc1 ZINC001038578811 1229925863 /nfs/dbraw/zinc/92/58/63/1229925863.db2.gz PEOGAHIQTVINIM-INIZCTEOSA-N 1 2 325.437 2.437 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C2CC3(CC3)C2)cc1C#N ZINC001038680774 1229971698 /nfs/dbraw/zinc/97/16/98/1229971698.db2.gz DQRNOYWWFFCSKS-QGZVFWFLSA-N 1 2 339.439 2.448 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C2CC3(CC3)C2)cc1C#N ZINC001038680774 1229971699 /nfs/dbraw/zinc/97/16/99/1229971699.db2.gz DQRNOYWWFFCSKS-QGZVFWFLSA-N 1 2 339.439 2.448 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)c1ccc2c(c1)CCO2 ZINC001038734095 1230006323 /nfs/dbraw/zinc/00/63/23/1230006323.db2.gz DIVSNEGBIZUQGF-HXUWFJFHSA-N 1 2 346.430 2.477 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)c1ccc2c(c1)CCO2 ZINC001038734095 1230006328 /nfs/dbraw/zinc/00/63/28/1230006328.db2.gz DIVSNEGBIZUQGF-HXUWFJFHSA-N 1 2 346.430 2.477 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc(C3CC3)n[nH]2)c1 ZINC001038735939 1230008872 /nfs/dbraw/zinc/00/88/72/1230008872.db2.gz RMDAXPYBRFEVGJ-MRXNPFEDSA-N 1 2 335.411 2.163 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc(C3CC3)n[nH]2)c1 ZINC001038735939 1230008878 /nfs/dbraw/zinc/00/88/78/1230008878.db2.gz RMDAXPYBRFEVGJ-MRXNPFEDSA-N 1 2 335.411 2.163 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]2[C@H](C)c2cccc(F)c2)nn1 ZINC001038783531 1230053518 /nfs/dbraw/zinc/05/35/18/1230053518.db2.gz PWEKSLSOYPKVLY-CJNGLKHVSA-N 1 2 343.406 2.169 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]2[C@H](C)c2cccc(F)c2)nn1 ZINC001038783531 1230053522 /nfs/dbraw/zinc/05/35/22/1230053522.db2.gz PWEKSLSOYPKVLY-CJNGLKHVSA-N 1 2 343.406 2.169 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cncs1 ZINC001038799868 1230065855 /nfs/dbraw/zinc/06/58/55/1230065855.db2.gz OAUXKWPGRUGBFR-KBMXLJTQSA-N 1 2 335.473 2.205 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cncs1 ZINC001038799868 1230065859 /nfs/dbraw/zinc/06/58/59/1230065859.db2.gz OAUXKWPGRUGBFR-KBMXLJTQSA-N 1 2 335.473 2.205 20 30 EEEDLO CN(C)c1ncccc1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001039016683 1230238300 /nfs/dbraw/zinc/23/83/00/1230238300.db2.gz CPZPEQVFSXWLHW-QGZVFWFLSA-N 1 2 349.438 2.024 20 30 EEEDLO CN(C)c1ncccc1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001039016683 1230238304 /nfs/dbraw/zinc/23/83/04/1230238304.db2.gz CPZPEQVFSXWLHW-QGZVFWFLSA-N 1 2 349.438 2.024 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N2CCC([C@H]3CCN(CC#N)C3)CC2)c[nH+]1 ZINC001039144038 1230362390 /nfs/dbraw/zinc/36/23/90/1230362390.db2.gz ZYAZLGWUHLWVJA-KRWDZBQOSA-N 1 2 343.475 2.011 20 30 EEEDLO C#CCCCC(=O)N(C)CCCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001067289034 1230406931 /nfs/dbraw/zinc/40/69/31/1230406931.db2.gz FYXHPRGZTBFFKH-UHFFFAOYSA-N 1 2 346.475 2.037 20 30 EEEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc([C@H](C)OC)s1 ZINC001039375164 1230561519 /nfs/dbraw/zinc/56/15/19/1230561519.db2.gz RYSYOALMYXQAJK-MJBXVCDLSA-N 1 2 333.457 2.163 20 30 EEEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc([C@H](C)OC)s1 ZINC001039375164 1230561522 /nfs/dbraw/zinc/56/15/22/1230561522.db2.gz RYSYOALMYXQAJK-MJBXVCDLSA-N 1 2 333.457 2.163 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H](C)C(=O)NC1CC1 ZINC001039822657 1230836003 /nfs/dbraw/zinc/83/60/03/1230836003.db2.gz HMVJVOIPXVMSAT-OIISXLGYSA-N 1 2 347.503 2.321 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)NC1CC1 ZINC001039822657 1230836007 /nfs/dbraw/zinc/83/60/07/1230836007.db2.gz HMVJVOIPXVMSAT-OIISXLGYSA-N 1 2 347.503 2.321 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1nncn1C)C2 ZINC001040370760 1231190633 /nfs/dbraw/zinc/19/06/33/1231190633.db2.gz DHJSXPDNCZMJFN-OALUTQOASA-N 1 2 345.491 2.232 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1nncn1C)C2 ZINC001040370760 1231190636 /nfs/dbraw/zinc/19/06/36/1231190636.db2.gz DHJSXPDNCZMJFN-OALUTQOASA-N 1 2 345.491 2.232 20 30 EEEDLO Cc1nc(N[C@@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C23CCC3)cc[nH+]1 ZINC001041589012 1231611909 /nfs/dbraw/zinc/61/19/09/1231611909.db2.gz ZABWOZLVWHOZLH-CABCVRRESA-N 1 2 336.399 2.138 20 30 EEEDLO CC(C)c1nnc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)o1 ZINC001042058740 1231860150 /nfs/dbraw/zinc/86/01/50/1231860150.db2.gz VFRHQUDXUYWXED-CVEARBPZSA-N 1 2 342.443 2.029 20 30 EEEDLO CC(C)c1nnc(C[N@H+]2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)o1 ZINC001042058740 1231860155 /nfs/dbraw/zinc/86/01/55/1231860155.db2.gz VFRHQUDXUYWXED-CVEARBPZSA-N 1 2 342.443 2.029 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)n3CC)[C@@H]2C1 ZINC001042185410 1231943188 /nfs/dbraw/zinc/94/31/88/1231943188.db2.gz BRKOMYQNWDLPFU-HZPDHXFCSA-N 1 2 345.491 2.241 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)n3CC)[C@@H]2C1 ZINC001042185410 1231943191 /nfs/dbraw/zinc/94/31/91/1231943191.db2.gz BRKOMYQNWDLPFU-HZPDHXFCSA-N 1 2 345.491 2.241 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3nnc(C)n3CC)[C@H]2C1 ZINC001042185409 1231943362 /nfs/dbraw/zinc/94/33/62/1231943362.db2.gz BRKOMYQNWDLPFU-HOTGVXAUSA-N 1 2 345.491 2.241 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3nnc(C)n3CC)[C@H]2C1 ZINC001042185409 1231943363 /nfs/dbraw/zinc/94/33/63/1231943363.db2.gz BRKOMYQNWDLPFU-HOTGVXAUSA-N 1 2 345.491 2.241 20 30 EEEDLO C[C@H]1CCCC[C@@H]1OCC[NH+]1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001042590385 1232114167 /nfs/dbraw/zinc/11/41/67/1232114167.db2.gz DTNKHYUETDBOBI-KSSFIOAISA-N 1 2 344.459 2.238 20 30 EEEDLO Cc1ccc(OCC[NH+]2CC(N(C)C(=O)c3ccc(C#N)[nH]3)C2)cc1 ZINC001042628186 1232124780 /nfs/dbraw/zinc/12/47/80/1232124780.db2.gz DCUFJPJUZKURLA-UHFFFAOYSA-N 1 2 338.411 2.030 20 30 EEEDLO C=C1CCC(C(=O)N(C)C2C[NH+](CCCc3nc(C)no3)C2)CC1 ZINC001043751938 1232565811 /nfs/dbraw/zinc/56/58/11/1232565811.db2.gz LKSMFAWHBJZIFX-UHFFFAOYSA-N 1 2 332.448 2.200 20 30 EEEDLO Cc1cc(NC[C@@H]2CCN(C(=O)CSCC#N)C2)nc(C(C)C)[nH+]1 ZINC001098507898 1232835898 /nfs/dbraw/zinc/83/58/98/1232835898.db2.gz HINKZBKTMQXAHK-AWEZNQCLSA-N 1 2 347.488 2.426 20 30 EEEDLO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1c1cccc(F)c1C#N ZINC001067577233 1249260867 /nfs/dbraw/zinc/26/08/67/1249260867.db2.gz HNUTWXPPBCGUPS-QWHCGFSZSA-N 1 2 341.390 2.137 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+]([C@H](C)c2nnc(C)o2)CC1 ZINC001045563799 1233820617 /nfs/dbraw/zinc/82/06/17/1233820617.db2.gz LYKJEVUCPZBURC-YUELXQCFSA-N 1 2 348.447 2.001 20 30 EEEDLO CC1=C(C)C[C@](C)(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046087209 1234423597 /nfs/dbraw/zinc/42/35/97/1234423597.db2.gz PHWKEWQZIJPOPK-AZUAARDMSA-N 1 2 344.503 2.255 20 30 EEEDLO C[C@]1(NC(=O)c2ccncc2F)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001046206794 1234554309 /nfs/dbraw/zinc/55/43/09/1234554309.db2.gz XJLVSMGZKMFPIN-IBGZPJMESA-N 1 2 338.386 2.487 20 30 EEEDLO C[C@]1(NC(=O)c2ccncc2F)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001046206794 1234554311 /nfs/dbraw/zinc/55/43/11/1234554311.db2.gz XJLVSMGZKMFPIN-IBGZPJMESA-N 1 2 338.386 2.487 20 30 EEEDLO CCc1nc(C[N@@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC001046221073 1234567754 /nfs/dbraw/zinc/56/77/54/1234567754.db2.gz PFIUFJHFMYOETA-QGZVFWFLSA-N 1 2 343.456 2.300 20 30 EEEDLO CCc1nc(C[N@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC001046221073 1234567756 /nfs/dbraw/zinc/56/77/56/1234567756.db2.gz PFIUFJHFMYOETA-QGZVFWFLSA-N 1 2 343.456 2.300 20 30 EEEDLO C/C(=C\C(=O)N(CCC#N)c1ccc(F)cc1)C[NH+]1CCOCC1 ZINC000900630052 1234584758 /nfs/dbraw/zinc/58/47/58/1234584758.db2.gz GOKMQWVTFOCDRX-FYWRMAATSA-N 1 2 331.391 2.351 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cccc(-n3cccn3)n2)C1 ZINC001046616622 1234999877 /nfs/dbraw/zinc/99/98/77/1234999877.db2.gz VBDBXPGKQZTJAV-KRWDZBQOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc(-n3cccn3)n2)C1 ZINC001046616622 1234999880 /nfs/dbraw/zinc/99/98/80/1234999880.db2.gz VBDBXPGKQZTJAV-KRWDZBQOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001046635614 1235018534 /nfs/dbraw/zinc/01/85/34/1235018534.db2.gz YALYCUMIAUSIRY-ZIFCJYIRSA-N 1 2 346.475 2.136 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001046635614 1235018537 /nfs/dbraw/zinc/01/85/37/1235018537.db2.gz YALYCUMIAUSIRY-ZIFCJYIRSA-N 1 2 346.475 2.136 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3cccnn31)C2 ZINC001096121620 1235084455 /nfs/dbraw/zinc/08/44/55/1235084455.db2.gz CYNAYTCRLKHNMV-ILXRZTDVSA-N 1 2 330.819 2.422 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3cccnn31)C2 ZINC001096121620 1235084457 /nfs/dbraw/zinc/08/44/57/1235084457.db2.gz CYNAYTCRLKHNMV-ILXRZTDVSA-N 1 2 330.819 2.422 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C)nn2C)C1 ZINC001046927113 1235316075 /nfs/dbraw/zinc/31/60/75/1235316075.db2.gz YITNBXFQBDHNEY-GFCCVEGCSA-N 1 2 346.809 2.168 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C)nn2C)C1 ZINC001046927113 1235316076 /nfs/dbraw/zinc/31/60/76/1235316076.db2.gz YITNBXFQBDHNEY-GFCCVEGCSA-N 1 2 346.809 2.168 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096157990 1235539003 /nfs/dbraw/zinc/53/90/03/1235539003.db2.gz LQZMGWAQDYELFP-KRWDZBQOSA-N 1 2 346.475 2.470 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CC(C)C)no2)C1 ZINC001054976088 1249501380 /nfs/dbraw/zinc/50/13/80/1249501380.db2.gz ITUPNBWBMICCQZ-ZIAGYGMSSA-N 1 2 334.464 2.417 20 30 EEEDLO CC[C@@H](C)CC(=O)NCC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC001096279787 1237051432 /nfs/dbraw/zinc/05/14/32/1237051432.db2.gz HKEOIFLWAKFUPY-OAHLLOKOSA-N 1 2 346.450 2.372 20 30 EEEDLO CCCC[C@@H](C)C(=O)NCC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC001096281730 1237085745 /nfs/dbraw/zinc/08/57/45/1237085745.db2.gz HLKIYSRRIAKSDZ-MRXNPFEDSA-N 1 2 343.475 2.018 20 30 EEEDLO CCC(C)(CC)C(=O)NCC[NH+]1CCN(c2ccncc2C#N)CC1 ZINC001096285409 1237098964 /nfs/dbraw/zinc/09/89/64/1237098964.db2.gz KEBWKYNHWFEFDY-UHFFFAOYSA-N 1 2 343.475 2.018 20 30 EEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)OCCCc1[nH+]ccn1C ZINC000802784566 1238226267 /nfs/dbraw/zinc/22/62/67/1238226267.db2.gz RYDOORPGMZGVQM-UHFFFAOYSA-N 1 2 343.431 2.256 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056409626 1239336391 /nfs/dbraw/zinc/33/63/91/1239336391.db2.gz XABOKDVROCOVCZ-CABCVRRESA-N 1 2 344.459 2.146 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056422542 1239356092 /nfs/dbraw/zinc/35/60/92/1239356092.db2.gz CEDUSHDGPJCUGI-CVEARBPZSA-N 1 2 344.459 2.146 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001056479727 1239401808 /nfs/dbraw/zinc/40/18/08/1239401808.db2.gz URISMUKMAPITMG-LSDHHAIUSA-N 1 2 344.459 2.245 20 30 EEEDLO C=CCCC(=O)N1C[C@@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001056667203 1239607295 /nfs/dbraw/zinc/60/72/95/1239607295.db2.gz AGSMWOPZOSCLGC-IXDOHACOSA-N 1 2 344.459 2.250 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C4CC4)no3)C[C@@H]2C1 ZINC001048975951 1239634695 /nfs/dbraw/zinc/63/46/95/1239634695.db2.gz BJCVRZIRIBFZKJ-GASCZTMLSA-N 1 2 344.459 2.440 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C4CC4)no3)C[C@@H]2C1 ZINC001048975951 1239634707 /nfs/dbraw/zinc/63/47/07/1239634707.db2.gz BJCVRZIRIBFZKJ-GASCZTMLSA-N 1 2 344.459 2.440 20 30 EEEDLO C#CCOc1ccc(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)C2)cc1 ZINC001056794201 1239793874 /nfs/dbraw/zinc/79/38/74/1239793874.db2.gz RTFINMHJFRITJB-MRXNPFEDSA-N 1 2 336.395 2.124 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)OC ZINC001049371227 1240703007 /nfs/dbraw/zinc/70/30/07/1240703007.db2.gz BIMMVXJLTKQAIA-MJBXVCDLSA-N 1 2 345.281 2.385 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)OC ZINC001049371227 1240703013 /nfs/dbraw/zinc/70/30/13/1240703013.db2.gz BIMMVXJLTKQAIA-MJBXVCDLSA-N 1 2 345.281 2.385 20 30 EEEDLO Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)no1 ZINC001049402974 1240797059 /nfs/dbraw/zinc/79/70/59/1240797059.db2.gz VLIVOQDSZKSBGD-DLBZAZTESA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1cc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)no1 ZINC001049402974 1240797064 /nfs/dbraw/zinc/79/70/64/1240797064.db2.gz VLIVOQDSZKSBGD-DLBZAZTESA-N 1 2 339.399 2.062 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC001000812807 1240977132 /nfs/dbraw/zinc/97/71/32/1240977132.db2.gz HRCIUAZNGXEMRE-UHFFFAOYSA-N 1 2 348.834 2.174 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC001000812807 1240977140 /nfs/dbraw/zinc/97/71/40/1240977140.db2.gz HRCIUAZNGXEMRE-UHFFFAOYSA-N 1 2 348.834 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCN(c4cc[nH+]c(C)n4)C[C@H]3C2)cc1 ZINC001049597366 1241589679 /nfs/dbraw/zinc/58/96/79/1241589679.db2.gz DIXXSMQHWGPOOF-MOPGFXCFSA-N 1 2 346.434 2.365 20 30 EEEDLO Cc1nc(N[C@@H]2CCCCCN(C(=O)c3ccc(C#N)[nH]3)C2)cc[nH+]1 ZINC001049893449 1242571238 /nfs/dbraw/zinc/57/12/38/1242571238.db2.gz KCVRXUGXICDLHJ-OAHLLOKOSA-N 1 2 338.415 2.482 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCO1 ZINC001049914902 1242688218 /nfs/dbraw/zinc/68/82/18/1242688218.db2.gz SCERBWVPFLTHPF-MELADBBJSA-N 1 2 343.265 2.139 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCO1 ZINC001049914902 1242688226 /nfs/dbraw/zinc/68/82/26/1242688226.db2.gz SCERBWVPFLTHPF-MELADBBJSA-N 1 2 343.265 2.139 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(-c4ccoc4)[nH]n3)[C@@H]2C1 ZINC001050202005 1243109764 /nfs/dbraw/zinc/10/97/64/1243109764.db2.gz HYZKOOXYIHWSAH-KBXCAEBGSA-N 1 2 338.411 2.229 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(-c4ccoc4)[nH]n3)[C@@H]2C1 ZINC001050202005 1243109771 /nfs/dbraw/zinc/10/97/71/1243109771.db2.gz HYZKOOXYIHWSAH-KBXCAEBGSA-N 1 2 338.411 2.229 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)[nH]1 ZINC001096888253 1243420385 /nfs/dbraw/zinc/42/03/85/1243420385.db2.gz JXTDFKZZJLWQJA-NUJGCVRESA-N 1 2 335.411 2.125 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)[nH]1 ZINC001096888253 1243420414 /nfs/dbraw/zinc/42/04/14/1243420414.db2.gz JXTDFKZZJLWQJA-NUJGCVRESA-N 1 2 335.411 2.125 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(C#N)[nH]2)C3)o1 ZINC001096972603 1243508190 /nfs/dbraw/zinc/50/81/90/1243508190.db2.gz SOUJKTKSYGVYKG-CUBALJKWSA-N 1 2 339.399 2.279 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(C#N)[nH]2)C3)o1 ZINC001096972603 1243508203 /nfs/dbraw/zinc/50/82/03/1243508203.db2.gz SOUJKTKSYGVYKG-CUBALJKWSA-N 1 2 339.399 2.279 20 30 EEEDLO Cc1nc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(C#N)c2)C3)c(C)o1 ZINC001096982387 1243542199 /nfs/dbraw/zinc/54/21/99/1243542199.db2.gz ZWGOGWZUZFUSHJ-INMHGKMJSA-N 1 2 339.399 2.027 20 30 EEEDLO Cc1nc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(C#N)c2)C3)c(C)o1 ZINC001096982387 1243542205 /nfs/dbraw/zinc/54/22/05/1243542205.db2.gz ZWGOGWZUZFUSHJ-INMHGKMJSA-N 1 2 339.399 2.027 20 30 EEEDLO CCn1ccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097016560 1243579566 /nfs/dbraw/zinc/57/95/66/1243579566.db2.gz NMGAAAFCVUEQIC-KURKYZTESA-N 1 2 349.438 2.310 20 30 EEEDLO CCn1ccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097016560 1243579574 /nfs/dbraw/zinc/57/95/74/1243579574.db2.gz NMGAAAFCVUEQIC-KURKYZTESA-N 1 2 349.438 2.310 20 30 EEEDLO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]cc3ncnc1-3)C2 ZINC001097110334 1243714222 /nfs/dbraw/zinc/71/42/22/1243714222.db2.gz DMRVVSNFCWYBRT-XPKDYRNWSA-N 1 2 325.416 2.259 20 30 EEEDLO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]cc3ncnc1-3)C2 ZINC001097110334 1243714227 /nfs/dbraw/zinc/71/42/27/1243714227.db2.gz DMRVVSNFCWYBRT-XPKDYRNWSA-N 1 2 325.416 2.259 20 30 EEEDLO Cc1nc(N[C@H]2C[C@@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)ccc1C#N ZINC001097254348 1243877341 /nfs/dbraw/zinc/87/73/41/1243877341.db2.gz DYAGDCMORDUNSL-VBNZEHGJSA-N 1 2 338.415 2.169 20 30 EEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001097257151 1243881573 /nfs/dbraw/zinc/88/15/73/1243881573.db2.gz HLDSZGPAPVXAEL-RWMBFGLXSA-N 1 2 341.390 2.358 20 30 EEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001097257151 1243881579 /nfs/dbraw/zinc/88/15/79/1243881579.db2.gz HLDSZGPAPVXAEL-RWMBFGLXSA-N 1 2 341.390 2.358 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050580666 1243882756 /nfs/dbraw/zinc/88/27/56/1243882756.db2.gz LJWWBAKNRWEGME-GJZGRUSLSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050582596 1243886322 /nfs/dbraw/zinc/88/63/22/1243886322.db2.gz ZLGQTQNEPXNWHZ-GJZGRUSLSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050582515 1243886616 /nfs/dbraw/zinc/88/66/16/1243886616.db2.gz YETQFLONUFWWKV-CABCVRRESA-N 1 2 346.475 2.298 20 30 EEEDLO Cc1nc(N2CCC[C@H](CNC(=O)C#CC(C)C)C2)c(C)c(C)[nH+]1 ZINC001097300001 1243932698 /nfs/dbraw/zinc/93/26/98/1243932698.db2.gz FNJSFQQMBXMJRE-QGZVFWFLSA-N 1 2 328.460 2.394 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CCC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001097367029 1244052967 /nfs/dbraw/zinc/05/29/67/1244052967.db2.gz ICIVWPMUYOFKHI-GDBMZVCRSA-N 1 2 332.448 2.417 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050842249 1244473080 /nfs/dbraw/zinc/47/30/80/1244473080.db2.gz AOYXZDOLPQQTKB-GJZGRUSLSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050842249 1244473084 /nfs/dbraw/zinc/47/30/84/1244473084.db2.gz AOYXZDOLPQQTKB-GJZGRUSLSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C(C)C)nn1CC ZINC001051006094 1244831468 /nfs/dbraw/zinc/83/14/68/1244831468.db2.gz JSZYPEMPEMUJAB-MRXNPFEDSA-N 1 2 348.491 2.423 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C(C)C)nn1CC ZINC001051006094 1244831478 /nfs/dbraw/zinc/83/14/78/1244831478.db2.gz JSZYPEMPEMUJAB-MRXNPFEDSA-N 1 2 348.491 2.423 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ocnc1C(F)(F)F ZINC001051046463 1244904754 /nfs/dbraw/zinc/90/47/54/1244904754.db2.gz OHRKHJRSMNIFIN-LLVKDONJSA-N 1 2 347.337 2.090 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ocnc1C(F)(F)F ZINC001051046463 1244904767 /nfs/dbraw/zinc/90/47/67/1244904767.db2.gz OHRKHJRSMNIFIN-LLVKDONJSA-N 1 2 347.337 2.090 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ocnc1C(F)F ZINC001051117964 1245002755 /nfs/dbraw/zinc/00/27/55/1245002755.db2.gz LUUHGBPJIHTEQA-NSHDSACASA-N 1 2 329.347 2.009 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ocnc1C(F)F ZINC001051117964 1245002762 /nfs/dbraw/zinc/00/27/62/1245002762.db2.gz LUUHGBPJIHTEQA-NSHDSACASA-N 1 2 329.347 2.009 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(F)c1Cl ZINC001051143842 1245041051 /nfs/dbraw/zinc/04/10/51/1245041051.db2.gz UYSLAOVCLBLLFG-LBPRGKRZSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(F)c1Cl ZINC001051143842 1245041058 /nfs/dbraw/zinc/04/10/58/1245041058.db2.gz UYSLAOVCLBLLFG-LBPRGKRZSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(F)c1OCC ZINC001051184096 1245361611 /nfs/dbraw/zinc/36/16/11/1245361611.db2.gz GZTKXNCQXQMPNS-AWEZNQCLSA-N 1 2 336.407 2.231 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(F)c1OCC ZINC001051184096 1245361616 /nfs/dbraw/zinc/36/16/16/1245361616.db2.gz GZTKXNCQXQMPNS-AWEZNQCLSA-N 1 2 336.407 2.231 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C)nc1OCC ZINC001051185585 1245362695 /nfs/dbraw/zinc/36/26/95/1245362695.db2.gz WOIKOLYHHBNSMD-INIZCTEOSA-N 1 2 347.459 2.186 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C)nc1OCC ZINC001051185585 1245362699 /nfs/dbraw/zinc/36/26/99/1245362699.db2.gz WOIKOLYHHBNSMD-INIZCTEOSA-N 1 2 347.459 2.186 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1noc2c1C[C@@H](C)CC2 ZINC001051188517 1245366352 /nfs/dbraw/zinc/36/63/52/1245366352.db2.gz DPZCOVJJQKHCNS-LSDHHAIUSA-N 1 2 347.459 2.196 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1noc2c1C[C@@H](C)CC2 ZINC001051188517 1245366356 /nfs/dbraw/zinc/36/63/56/1245366356.db2.gz DPZCOVJJQKHCNS-LSDHHAIUSA-N 1 2 347.459 2.196 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1sccc1COC ZINC001051208818 1245394167 /nfs/dbraw/zinc/39/41/67/1245394167.db2.gz CJPVGMUYKKQZPT-HNNXBMFYSA-N 1 2 338.473 2.291 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1sccc1COC ZINC001051208818 1245394172 /nfs/dbraw/zinc/39/41/72/1245394172.db2.gz CJPVGMUYKKQZPT-HNNXBMFYSA-N 1 2 338.473 2.291 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NCCN(CCC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001101127044 1245430421 /nfs/dbraw/zinc/43/04/21/1245430421.db2.gz ZOJCUVXRBSJWIK-IBGZPJMESA-N 1 2 346.475 2.322 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn2c(cccc2C)n1 ZINC001051241856 1245430550 /nfs/dbraw/zinc/43/05/50/1245430550.db2.gz ZBGRBZZVTJVXBO-INIZCTEOSA-N 1 2 342.443 2.040 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn2c(cccc2C)n1 ZINC001051241856 1245430551 /nfs/dbraw/zinc/43/05/51/1245430551.db2.gz ZBGRBZZVTJVXBO-INIZCTEOSA-N 1 2 342.443 2.040 20 30 EEEDLO C#CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nc(CCC)no3)C[C@@]2(C)C1 ZINC001101216811 1245529821 /nfs/dbraw/zinc/52/98/21/1245529821.db2.gz KWIDUTQMVFBBRU-BEFAXECRSA-N 1 2 344.459 2.106 20 30 EEEDLO C#CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nc(CCC)no3)C[C@@]2(C)C1 ZINC001101216811 1245529827 /nfs/dbraw/zinc/52/98/27/1245529827.db2.gz KWIDUTQMVFBBRU-BEFAXECRSA-N 1 2 344.459 2.106 20 30 EEEDLO CCCN(CCNC(=O)C[C@@H](C)n1cc[nH+]c1)c1ncccc1C#N ZINC001101246936 1245566568 /nfs/dbraw/zinc/56/65/68/1245566568.db2.gz KPRYJSDZMWXIGN-OAHLLOKOSA-N 1 2 340.431 2.134 20 30 EEEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C)o4)C[C@@]3(C)C2)CCC1 ZINC001101354086 1245704540 /nfs/dbraw/zinc/70/45/40/1245704540.db2.gz PBBXSBNSUHIDRX-QAPCUYQASA-N 1 2 344.459 2.405 20 30 EEEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C)o4)C[C@@]3(C)C2)CCC1 ZINC001101354086 1245704546 /nfs/dbraw/zinc/70/45/46/1245704546.db2.gz PBBXSBNSUHIDRX-QAPCUYQASA-N 1 2 344.459 2.405 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001101356178 1245707733 /nfs/dbraw/zinc/70/77/33/1245707733.db2.gz YTJFGVYKLNFMGN-CQSZACIVSA-N 1 2 344.459 2.339 20 30 EEEDLO C#Cc1ccc(C(=O)NCCN(c2nc(C)[nH+]c(C)c2C)C2CC2)cn1 ZINC001101367057 1245722754 /nfs/dbraw/zinc/72/27/54/1245722754.db2.gz BIWKFGJZFKLZDL-UHFFFAOYSA-N 1 2 349.438 2.177 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]([C@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001051460245 1245749066 /nfs/dbraw/zinc/74/90/66/1245749066.db2.gz QUZCRBOJMPAKDD-HOTGVXAUSA-N 1 2 346.475 2.062 20 30 EEEDLO C=CCCC1(C(=O)N[C@H](C)[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001051673435 1246010575 /nfs/dbraw/zinc/01/05/75/1246010575.db2.gz ZTYYGEXAEJVPHW-HUUCEWRRSA-N 1 2 344.459 2.052 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(CC=C)CCC1)c1nccn12 ZINC001101642373 1246074428 /nfs/dbraw/zinc/07/44/28/1246074428.db2.gz AFJMHCKCPFAQCU-OAHLLOKOSA-N 1 2 326.444 2.387 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)CCc1ccccc1)c1nccn12 ZINC001101651082 1246082675 /nfs/dbraw/zinc/08/26/75/1246082675.db2.gz KGNULTDVGNUZHL-KRWDZBQOSA-N 1 2 336.439 2.274 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)COc1cc(C)ccc1F)CCO2 ZINC001053255127 1246100414 /nfs/dbraw/zinc/10/04/14/1246100414.db2.gz FGHFSZIORKUUJB-UHFFFAOYSA-N 1 2 348.418 2.002 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CCOC3(C[NH+](CCC)C3)C2)cc1 ZINC001053313030 1246173215 /nfs/dbraw/zinc/17/32/15/1246173215.db2.gz VRQIPQFJACAWRV-UHFFFAOYSA-N 1 2 330.428 2.188 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CCOC3(C[NH+](CCCF)C3)C2)cc1 ZINC001053316581 1246177073 /nfs/dbraw/zinc/17/70/73/1246177073.db2.gz RXHAKRNADKOJGB-UHFFFAOYSA-N 1 2 348.418 2.138 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C(C)=C3CCCC3)C2)CC1 ZINC001052011771 1246375029 /nfs/dbraw/zinc/37/50/29/1246375029.db2.gz YRTKIRCMCLWVBE-LJQANCHMSA-N 1 2 329.488 2.119 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C3(C4CC4)CCC3)C2)CC1 ZINC001052056066 1246426647 /nfs/dbraw/zinc/42/66/47/1246426647.db2.gz DWMNWPUIOKNTHE-GOSISDBHSA-N 1 2 331.504 2.361 20 30 EEEDLO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cc1Cl ZINC001052074936 1246449433 /nfs/dbraw/zinc/44/94/33/1246449433.db2.gz PDOLLVYOSUGCLB-MRXNPFEDSA-N 1 2 346.862 2.004 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC(C)C)C2)CC1 ZINC001052089704 1246469015 /nfs/dbraw/zinc/46/90/15/1246469015.db2.gz UDRMNPHCOGOKHF-GUDVDZBRSA-N 1 2 333.520 2.463 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1 ZINC001052095860 1246476070 /nfs/dbraw/zinc/47/60/70/1246476070.db2.gz APBIKOOEOHPLKK-GBESFXJTSA-N 1 2 331.504 2.217 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccoc3CCC)C2)CC1 ZINC001052106284 1246486272 /nfs/dbraw/zinc/48/62/72/1246486272.db2.gz GZROTJNFVQYRJO-INIZCTEOSA-N 1 2 331.460 2.250 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H](C)c3ccco3)C2)CC1 ZINC001052108984 1246489112 /nfs/dbraw/zinc/48/91/12/1246489112.db2.gz VKENHSDLSRRWDP-ZWKOTPCHSA-N 1 2 343.471 2.015 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C)c(CC)o3)C2)CC1 ZINC001052109171 1246490000 /nfs/dbraw/zinc/49/00/00/1246490000.db2.gz XOKGZHLUCOVTRK-INIZCTEOSA-N 1 2 331.460 2.169 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC(Nc2cc[nH+]c(C)n2)C1 ZINC001052111566 1246492714 /nfs/dbraw/zinc/49/27/14/1246492714.db2.gz QLKMVSGJDDCWDR-FJBKBRRZSA-N 1 2 330.432 2.073 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CC(C3CC3)C3CC3)C2)CC1 ZINC001052122218 1246507904 /nfs/dbraw/zinc/50/79/04/1246507904.db2.gz PBDAGEIOHRZJQY-LJQANCHMSA-N 1 2 343.515 2.055 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc(C3CC3)o1)O2 ZINC001053610234 1246528631 /nfs/dbraw/zinc/52/86/31/1246528631.db2.gz KCLCDONIHOMDKQ-AWEZNQCLSA-N 1 2 331.416 2.091 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnoc1-c1ccco1)O2 ZINC001053617708 1246541028 /nfs/dbraw/zinc/54/10/28/1246541028.db2.gz FHXQNNVORUXBOK-CYBMUJFWSA-N 1 2 343.383 2.084 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nc3c(s1)CCC3)O2 ZINC001053628773 1246557593 /nfs/dbraw/zinc/55/75/93/1246557593.db2.gz XHSNRCXQVHHPEA-ZDUSSCGKSA-N 1 2 347.484 2.171 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1oc(CC(C)C)nc1C)O2 ZINC001053675431 1246629670 /nfs/dbraw/zinc/62/96/70/1246629670.db2.gz NJCYXCAMHQMTGO-OAHLLOKOSA-N 1 2 347.459 2.331 20 30 EEEDLO C=CCCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001053838034 1246880694 /nfs/dbraw/zinc/88/06/94/1246880694.db2.gz LVSFLCBAYXADHN-ACHSLPGTSA-N 1 2 344.459 2.194 20 30 EEEDLO C=CCCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001053838034 1246880706 /nfs/dbraw/zinc/88/07/06/1246880706.db2.gz LVSFLCBAYXADHN-ACHSLPGTSA-N 1 2 344.459 2.194 20 30 EEEDLO Cc1nsc(N[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)c1C#N ZINC001057728023 1246970608 /nfs/dbraw/zinc/97/06/08/1246970608.db2.gz FUOLIJZBABETBV-CYBMUJFWSA-N 1 2 344.444 2.013 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)c1cccc(F)c1)CO2 ZINC001053923174 1247019421 /nfs/dbraw/zinc/01/94/21/1247019421.db2.gz 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C=CCCO[C@@H](C)C(=O)NC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC001226457357 1301420411 /nfs/dbraw/zinc/42/04/11/1301420411.db2.gz WEXPFZPVBCDWPL-HNNXBMFYSA-N 1 2 335.448 2.353 20 30 EEEDLO C=CCOCC(=O)NC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC001226589338 1301471745 /nfs/dbraw/zinc/47/17/45/1301471745.db2.gz MVDNKJAWKHFFHM-UHFFFAOYSA-N 1 2 345.399 2.218 20 30 EEEDLO Cc1ccc(NC(=O)C[NH+]2CCC(NC(=O)C#CC(C)C)CC2)cc1 ZINC001227232986 1301742095 /nfs/dbraw/zinc/74/20/95/1301742095.db2.gz NTTNFULFTYNAJG-UHFFFAOYSA-N 1 2 341.455 2.174 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC1CC[NH+](Cc2csc(CCC)n2)CC1 ZINC001227342763 1301789780 /nfs/dbraw/zinc/78/97/80/1301789780.db2.gz XKGLSHUJEHTAMF-AWEZNQCLSA-N 1 2 349.500 2.215 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CCCCN(c3cc[nH+]c(C)n3)C2)CCC1 ZINC001102878647 1301831550 /nfs/dbraw/zinc/83/15/50/1301831550.db2.gz CCMZLFBOJHSKKM-INIZCTEOSA-N 1 2 326.444 2.454 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CCCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001102885629 1301848300 /nfs/dbraw/zinc/84/83/00/1301848300.db2.gz VDNVEVIFTONVKI-AWEZNQCLSA-N 1 2 342.447 2.195 20 30 EEEDLO CCCCCCC[N@@H+]1CCc2n[nH]c(C(=O)NCc3cnc[nH]3)c2C1 ZINC001277226534 1301914115 /nfs/dbraw/zinc/91/41/15/1301914115.db2.gz ZXHXGHKEZKNCEX-UHFFFAOYSA-N 1 2 344.463 2.391 20 30 EEEDLO CCCCCCC[N@H+]1CCc2n[nH]c(C(=O)NCc3cnc[nH]3)c2C1 ZINC001277226534 1301914116 /nfs/dbraw/zinc/91/41/16/1301914116.db2.gz ZXHXGHKEZKNCEX-UHFFFAOYSA-N 1 2 344.463 2.391 20 30 EEEDLO Cc1cc(C[NH+]2CC3(C[C@@H]3C(=O)Nc3cc(C)ccc3C#N)C2)[nH]n1 ZINC001277348343 1302560378 /nfs/dbraw/zinc/56/03/78/1302560378.db2.gz BLAQHYZAZACMHH-MRXNPFEDSA-N 1 2 335.411 2.359 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H](CC)Nc1[nH+]cnc2c1cnn2C ZINC001103328407 1302746029 /nfs/dbraw/zinc/74/60/29/1302746029.db2.gz LKKONOOESMYUKU-LBPRGKRZSA-N 1 2 330.436 2.272 20 30 EEEDLO CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1ccc(C#N)c(C)n1 ZINC001103364269 1302827835 /nfs/dbraw/zinc/82/78/35/1302827835.db2.gz MHEIONBUWHHONP-RBSFLKMASA-N 1 2 338.415 2.095 20 30 EEEDLO CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1ccc(C#N)c(C)n1 ZINC001103364269 1302827848 /nfs/dbraw/zinc/82/78/48/1302827848.db2.gz MHEIONBUWHHONP-RBSFLKMASA-N 1 2 338.415 2.095 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC001230327914 1303162926 /nfs/dbraw/zinc/16/29/26/1303162926.db2.gz NCZLIZFKCSEWMH-BPLDGKMQSA-N 1 2 348.447 2.055 20 30 EEEDLO N#Cc1ccc2cc(C[NH+]3CC4(CN(Cc5cn[nH]c5)C4)C3)[nH]c2c1 ZINC001277454469 1303180299 /nfs/dbraw/zinc/18/02/99/1303180299.db2.gz SKJFRGFFAKEIQK-UHFFFAOYSA-N 1 2 332.411 2.080 20 30 EEEDLO N#Cc1ccc2cc(CN3CC4(C3)C[NH+](Cc3cn[nH]c3)C4)[nH]c2c1 ZINC001277454469 1303180302 /nfs/dbraw/zinc/18/03/02/1303180302.db2.gz SKJFRGFFAKEIQK-UHFFFAOYSA-N 1 2 332.411 2.080 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CNc1[nH+]cnc2c1cnn2C ZINC001103821253 1303373980 /nfs/dbraw/zinc/37/39/80/1303373980.db2.gz HYXUYZBIDDIYSS-UONOGXRCSA-N 1 2 342.447 2.369 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CCC2(CCN(c3cc[nH+]c(C)n3)C2)CC1 ZINC001103828587 1303384379 /nfs/dbraw/zinc/38/43/79/1303384379.db2.gz HEHNNOYBCFAXOH-HNNXBMFYSA-N 1 2 344.459 2.195 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F)C(=O)C[C@H]1CCCO1 ZINC001230867321 1303512176 /nfs/dbraw/zinc/51/21/76/1303512176.db2.gz VNMODOFOJHWDJL-IAGOWNOFSA-N 1 2 345.418 2.299 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1F)C(=O)C[C@H]1CCCO1 ZINC001230867321 1303512180 /nfs/dbraw/zinc/51/21/80/1303512180.db2.gz VNMODOFOJHWDJL-IAGOWNOFSA-N 1 2 345.418 2.299 20 30 EEEDLO COCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC001230880798 1303521070 /nfs/dbraw/zinc/52/10/70/1303521070.db2.gz NMXCCAUYUULKIS-QGZVFWFLSA-N 1 2 345.443 2.026 20 30 EEEDLO COCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1OC ZINC001230880798 1303521074 /nfs/dbraw/zinc/52/10/74/1303521074.db2.gz NMXCCAUYUULKIS-QGZVFWFLSA-N 1 2 345.443 2.026 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001231169154 1303663408 /nfs/dbraw/zinc/66/34/08/1303663408.db2.gz 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CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)CC[C@@H]1CCOC1 ZINC001233580941 1304520841 /nfs/dbraw/zinc/52/08/41/1304520841.db2.gz OQMZJZUDNDBWGS-WOJBJXKFSA-N 1 2 340.467 2.388 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001233976985 1304665367 /nfs/dbraw/zinc/66/53/67/1304665367.db2.gz JZOVMMPJQYDBSU-VQIMIIECSA-N 1 2 345.418 2.057 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001233976985 1304665374 /nfs/dbraw/zinc/66/53/74/1304665374.db2.gz JZOVMMPJQYDBSU-VQIMIIECSA-N 1 2 345.418 2.057 20 30 EEEDLO C[C@@H](CCCNc1ncccc1C#N)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001115100122 1304678584 /nfs/dbraw/zinc/67/85/84/1304678584.db2.gz RWABOBIESMCLGL-KBPBESRZSA-N 1 2 340.431 2.252 20 30 EEEDLO C[C@@H](CCCNc1ncccc1C#N)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001115100122 1304678592 /nfs/dbraw/zinc/67/85/92/1304678592.db2.gz RWABOBIESMCLGL-KBPBESRZSA-N 1 2 340.431 2.252 20 30 EEEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC1CCCCC1 ZINC001234132353 1304757438 /nfs/dbraw/zinc/75/74/38/1304757438.db2.gz WDTGVAUITMSKGG-SJLPKXTDSA-N 1 2 347.503 2.016 20 30 EEEDLO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)NC1CCCCC1 ZINC001234132353 1304757451 /nfs/dbraw/zinc/75/74/51/1304757451.db2.gz WDTGVAUITMSKGG-SJLPKXTDSA-N 1 2 347.503 2.016 20 30 EEEDLO C#CCO[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1oc(C(C)C)nc1C ZINC001234225578 1304809410 /nfs/dbraw/zinc/80/94/10/1304809410.db2.gz OERAWHXQCLHMKZ-HZPDHXFCSA-N 1 2 347.459 2.177 20 30 EEEDLO C#CCO[C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1oc(C(C)C)nc1C ZINC001234225578 1304809414 /nfs/dbraw/zinc/80/94/14/1304809414.db2.gz OERAWHXQCLHMKZ-HZPDHXFCSA-N 1 2 347.459 2.177 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)c1csc(C)c1C ZINC001234498437 1304943533 /nfs/dbraw/zinc/94/35/33/1304943533.db2.gz DGFJBIQWENOHPY-HIFRSBDPSA-N 1 2 349.500 2.202 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1csc(C)c1C ZINC001234498437 1304943537 /nfs/dbraw/zinc/94/35/37/1304943537.db2.gz DGFJBIQWENOHPY-HIFRSBDPSA-N 1 2 349.500 2.202 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC1CCCC1 ZINC001234516533 1304948767 /nfs/dbraw/zinc/94/87/67/1304948767.db2.gz FCWJMSFJVNLELQ-GOSISDBHSA-N 1 2 347.503 2.346 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC1CCCC1 ZINC001234516533 1304948772 /nfs/dbraw/zinc/94/87/72/1304948772.db2.gz FCWJMSFJVNLELQ-GOSISDBHSA-N 1 2 347.503 2.346 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N[C@@H](C)CCC ZINC001234553833 1304965273 /nfs/dbraw/zinc/96/52/73/1304965273.db2.gz AMSBZFBEVDAIFF-HOTGVXAUSA-N 1 2 337.508 2.426 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N[C@@H](C)CCC ZINC001234553833 1304965277 /nfs/dbraw/zinc/96/52/77/1304965277.db2.gz AMSBZFBEVDAIFF-HOTGVXAUSA-N 1 2 337.508 2.426 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnc(OC)nc1C ZINC001234604146 1304982639 /nfs/dbraw/zinc/98/26/39/1304982639.db2.gz LYTUVLTWCLTKJJ-INIZCTEOSA-N 1 2 332.448 2.183 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnc(OC)nc1C ZINC001234604146 1304982641 /nfs/dbraw/zinc/98/26/41/1304982641.db2.gz LYTUVLTWCLTKJJ-INIZCTEOSA-N 1 2 332.448 2.183 20 30 EEEDLO COCc1ncc(F)c(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001234880755 1305045352 /nfs/dbraw/zinc/04/53/52/1305045352.db2.gz JZSDKDKOTDVQKP-HNNXBMFYSA-N 1 2 342.374 2.287 20 30 EEEDLO COCc1ncc(F)c(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001234880755 1305045355 /nfs/dbraw/zinc/04/53/55/1305045355.db2.gz JZSDKDKOTDVQKP-HNNXBMFYSA-N 1 2 342.374 2.287 20 30 EEEDLO CCCCCCCS(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000799776003 1305422288 /nfs/dbraw/zinc/42/22/88/1305422288.db2.gz VWRWRIIYOCHVKJ-KRWDZBQOSA-N 1 2 347.569 2.148 20 30 EEEDLO N#Cc1ccc2nc(C[N@H+]3CCCC[C@](O)(C(F)(F)F)C3)cn2c1 ZINC001237609379 1306001544 /nfs/dbraw/zinc/00/15/44/1306001544.db2.gz QFIMTDUGZVYOPE-OAHLLOKOSA-N 1 2 338.333 2.485 20 30 EEEDLO N#Cc1ccc2nc(C[N@@H+]3CCCC[C@](O)(C(F)(F)F)C3)cn2c1 ZINC001237609379 1306001552 /nfs/dbraw/zinc/00/15/52/1306001552.db2.gz QFIMTDUGZVYOPE-OAHLLOKOSA-N 1 2 338.333 2.485 20 30 EEEDLO CCC[C@@H](C)C[N@@H+]1CCc2[nH]nc(C(=O)N3CC(CC#N)C3)c2C1 ZINC001278152844 1306116596 /nfs/dbraw/zinc/11/65/96/1306116596.db2.gz AQQZKEZYSVDCSM-CYBMUJFWSA-N 1 2 329.448 2.190 20 30 EEEDLO CCC[C@@H](C)C[N@H+]1CCc2[nH]nc(C(=O)N3CC(CC#N)C3)c2C1 ZINC001278152844 1306116601 /nfs/dbraw/zinc/11/66/01/1306116601.db2.gz AQQZKEZYSVDCSM-CYBMUJFWSA-N 1 2 329.448 2.190 20 30 EEEDLO C#CC[NH+]1CCN(Cc2cc(F)cc(Br)c2F)CC1 ZINC001238080231 1306211636 /nfs/dbraw/zinc/21/16/36/1306211636.db2.gz YJTZATMMURWVIU-UHFFFAOYSA-N 1 2 329.188 2.478 20 30 EEEDLO COc1cc(C)c(C)cc1C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001238761047 1308949516 /nfs/dbraw/zinc/94/95/16/1308949516.db2.gz AEDHZNZOWZKZLX-UHFFFAOYSA-N 1 2 337.427 2.296 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCC(F)F)CC2)cc1 ZINC001119687651 1309159211 /nfs/dbraw/zinc/15/92/11/1309159211.db2.gz FPSMUJNLWBNGGQ-UHFFFAOYSA-N 1 2 336.386 2.431 20 30 EEEDLO COc1cc(C[NH+]2CC3(C[C@@H]3C(=O)N3CC(CC#N)C3)C2)ccc1F ZINC001278332688 1309516935 /nfs/dbraw/zinc/51/69/35/1309516935.db2.gz SUURLANUCOBYDE-OAHLLOKOSA-N 1 2 343.402 2.028 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)C[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001120475389 1309567922 /nfs/dbraw/zinc/56/79/22/1309567922.db2.gz DVQOHBSDIUKFSW-OLZOCXBDSA-N 1 2 330.436 2.224 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H](CC)O[C@@H](C)C1 ZINC001121519069 1310039463 /nfs/dbraw/zinc/03/94/63/1310039463.db2.gz FNZIDGPLGDIJIR-JKSUJKDBSA-N 1 2 333.480 2.454 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1ccoc1C ZINC001121715362 1310117513 /nfs/dbraw/zinc/11/75/13/1310117513.db2.gz YOYCMFUCNGPIOI-UHFFFAOYSA-N 1 2 326.404 2.326 20 30 EEEDLO C=CCOCC(=O)N[C@]12CCC[C@H]1N(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001123387732 1310544105 /nfs/dbraw/zinc/54/41/05/1310544105.db2.gz ZMKGBHHHHNSEBZ-APWZRJJASA-N 1 2 344.459 2.222 20 30 EEEDLO C=CCCNC(=S)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001247620513 1310650929 /nfs/dbraw/zinc/65/09/29/1310650929.db2.gz VWNDRZKKAKXFIA-UHFFFAOYSA-N 1 2 346.500 2.203 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001123839784 1310726835 /nfs/dbraw/zinc/72/68/35/1310726835.db2.gz SMDJCESOBNHJOM-UONOGXRCSA-N 1 2 342.447 2.416 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000831498124 1314595421 /nfs/dbraw/zinc/59/54/21/1314595421.db2.gz MOWYYMXJJQGAEI-WMZOPIPTSA-N 1 2 334.847 2.487 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000831498124 1314595426 /nfs/dbraw/zinc/59/54/26/1314595426.db2.gz MOWYYMXJJQGAEI-WMZOPIPTSA-N 1 2 334.847 2.487 20 30 EEEDLO C#CCOc1ccc(C[N@H+]2CCc3ncc(C(=O)OC)cc3C2)cc1 ZINC001138561002 1314630627 /nfs/dbraw/zinc/63/06/27/1314630627.db2.gz UJOKSNXYBVFPFY-UHFFFAOYSA-N 1 2 336.391 2.439 20 30 EEEDLO C#CCOc1ccc(C[N@@H+]2CCc3ncc(C(=O)OC)cc3C2)cc1 ZINC001138561002 1314630631 /nfs/dbraw/zinc/63/06/31/1314630631.db2.gz UJOKSNXYBVFPFY-UHFFFAOYSA-N 1 2 336.391 2.439 20 30 EEEDLO CSc1nc(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)ccc1C#N ZINC001141945481 1315396032 /nfs/dbraw/zinc/39/60/32/1315396032.db2.gz AGJVXJSFGFPOJR-CQSZACIVSA-N 1 2 327.413 2.118 20 30 EEEDLO CSc1nc(C[N@H+]2CC[C@@H](Oc3ncccn3)C2)ccc1C#N ZINC001141945481 1315396037 /nfs/dbraw/zinc/39/60/37/1315396037.db2.gz AGJVXJSFGFPOJR-CQSZACIVSA-N 1 2 327.413 2.118 20 30 EEEDLO C#CCCCS(=O)(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000840946021 1315443192 /nfs/dbraw/zinc/44/31/92/1315443192.db2.gz GAARKDWMKBIVAE-UHFFFAOYSA-N 1 2 333.413 2.117 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1C[N@H+](Cc2ccnc(Cl)c2)CCCO1 ZINC001149330785 1315947647 /nfs/dbraw/zinc/94/76/47/1315947647.db2.gz NFWWYASKSDKDOF-OAHLLOKOSA-N 1 2 337.851 2.408 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2)CCCO1 ZINC001149330785 1315947649 /nfs/dbraw/zinc/94/76/49/1315947649.db2.gz NFWWYASKSDKDOF-OAHLLOKOSA-N 1 2 337.851 2.408 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CCc2ccc(C)o2)C1 ZINC001150771829 1316370256 /nfs/dbraw/zinc/37/02/56/1316370256.db2.gz PBKWZMKTHSWJKS-MRXNPFEDSA-N 1 2 340.851 2.480 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CCc2ccc(C)o2)C1 ZINC001150771829 1316370263 /nfs/dbraw/zinc/37/02/63/1316370263.db2.gz PBKWZMKTHSWJKS-MRXNPFEDSA-N 1 2 340.851 2.480 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1C ZINC001206640037 1316490434 /nfs/dbraw/zinc/49/04/34/1316490434.db2.gz CVOUYBAQHUDAGM-JJRVBVJISA-N 1 2 329.448 2.094 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1C ZINC001206640037 1316490437 /nfs/dbraw/zinc/49/04/37/1316490437.db2.gz CVOUYBAQHUDAGM-JJRVBVJISA-N 1 2 329.448 2.094 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1cnn(C)c1C ZINC001151886618 1316602865 /nfs/dbraw/zinc/60/28/65/1316602865.db2.gz GFQVIFXTMQNZQG-LLVKDONJSA-N 1 2 343.269 2.077 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1cnn(C)c1C ZINC001151886618 1316602866 /nfs/dbraw/zinc/60/28/66/1316602866.db2.gz GFQVIFXTMQNZQG-LLVKDONJSA-N 1 2 343.269 2.077 20 30 EEEDLO C=CC[C@@H](Cc1ccccc1)C(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001151923104 1316609185 /nfs/dbraw/zinc/60/91/85/1316609185.db2.gz OUPILTDRPSQBBC-INIZCTEOSA-N 1 2 328.416 2.019 20 30 EEEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1cnc(C)[nH]1 ZINC001152391740 1316665897 /nfs/dbraw/zinc/66/58/97/1316665897.db2.gz FHDKMHWPBPFZDO-GFCCVEGCSA-N 1 2 343.406 2.369 20 30 EEEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1cnc(C)[nH]1 ZINC001152391740 1316665901 /nfs/dbraw/zinc/66/59/01/1316665901.db2.gz FHDKMHWPBPFZDO-GFCCVEGCSA-N 1 2 343.406 2.369 20 30 EEEDLO CC[N@H+](Cc1coc(C2CC2)n1)[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 ZINC001152878130 1316736409 /nfs/dbraw/zinc/73/64/09/1316736409.db2.gz DEMYFKNBLUTGQL-GFCCVEGCSA-N 1 2 341.415 2.392 20 30 EEEDLO CC[N@@H+](Cc1coc(C2CC2)n1)[C@H](C)CNC(=O)c1c[nH]c(C#N)c1 ZINC001152878130 1316736412 /nfs/dbraw/zinc/73/64/12/1316736412.db2.gz DEMYFKNBLUTGQL-GFCCVEGCSA-N 1 2 341.415 2.392 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ncoc1C(C)C ZINC001153018841 1316760650 /nfs/dbraw/zinc/76/06/50/1316760650.db2.gz VCUBVXAOPLANKJ-KDOFPFPSSA-N 1 2 337.464 2.452 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncoc1C(C)C ZINC001153018841 1316760652 /nfs/dbraw/zinc/76/06/52/1316760652.db2.gz VCUBVXAOPLANKJ-KDOFPFPSSA-N 1 2 337.464 2.452 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(C)sc1C ZINC001153332546 1316812908 /nfs/dbraw/zinc/81/29/08/1316812908.db2.gz XOAPECSARBKQDE-OLZOCXBDSA-N 1 2 337.489 2.125 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(C)sc1C ZINC001153332546 1316812910 /nfs/dbraw/zinc/81/29/10/1316812910.db2.gz XOAPECSARBKQDE-OLZOCXBDSA-N 1 2 337.489 2.125 20 30 EEEDLO C=CCC[C@@H](C(=O)NCC[NH2+]Cc1cnsn1)c1ccccc1 ZINC001153816777 1316890728 /nfs/dbraw/zinc/89/07/28/1316890728.db2.gz IVHNZZJKESTDMZ-MRXNPFEDSA-N 1 2 330.457 2.494 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H](C)[N@H+](CC)Cc1nccc(C)n1 ZINC001153830743 1316895226 /nfs/dbraw/zinc/89/52/26/1316895226.db2.gz GUFVYLXLYIFFMW-MRXNPFEDSA-N 1 2 341.459 2.413 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccc(C)n1 ZINC001153830743 1316895228 /nfs/dbraw/zinc/89/52/28/1316895228.db2.gz GUFVYLXLYIFFMW-MRXNPFEDSA-N 1 2 341.459 2.413 20 30 EEEDLO N#Cc1ccc2[nH]c(C(=O)NCc3c[nH+]cn3C3CCC3)cc(=O)c2c1 ZINC001154559882 1317205193 /nfs/dbraw/zinc/20/51/93/1317205193.db2.gz CZKIXKAEMXVYOH-UHFFFAOYSA-N 1 2 347.378 2.251 20 30 EEEDLO CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[N@@H+]2CC[C@@H](C#N)C2)cc1 ZINC001253425643 1317852093 /nfs/dbraw/zinc/85/20/93/1317852093.db2.gz ZIIAGXPFJCBGNK-WMLDXEAASA-N 1 2 330.428 2.347 20 30 EEEDLO CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[N@H+]2CC[C@@H](C#N)C2)cc1 ZINC001253425643 1317852100 /nfs/dbraw/zinc/85/21/00/1317852100.db2.gz ZIIAGXPFJCBGNK-WMLDXEAASA-N 1 2 330.428 2.347 20 30 EEEDLO COC(=O)[C@@H]([NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1)[C@@H](C)O ZINC001254346338 1318049681 /nfs/dbraw/zinc/04/96/81/1318049681.db2.gz OSAANPIOUVGQGU-KSMUJRPQSA-N 1 2 334.391 2.042 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC001254670038 1318164209 /nfs/dbraw/zinc/16/42/09/1318164209.db2.gz YESMSVUETJTUGC-WMZOPIPTSA-N 1 2 327.428 2.283 20 30 EEEDLO C#CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C(=O)OC ZINC001255228883 1318331654 /nfs/dbraw/zinc/33/16/54/1318331654.db2.gz XHNNWRDUXCJGRY-XGUBFFRZSA-N 1 2 336.432 2.071 20 30 EEEDLO Cc1c[nH+]c(NCCCCCCN2C(=O)C=CC2=O)c(/C=N/O)c1 ZINC001157331882 1318569341 /nfs/dbraw/zinc/56/93/41/1318569341.db2.gz RYCKQGABNBRFHG-UDWIEESQSA-N 1 2 330.388 2.095 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N3CCCC[C@@H]3CN(C)CC#N)ccn12 ZINC001157958542 1318947962 /nfs/dbraw/zinc/94/79/62/1318947962.db2.gz WDLYUCGAUTYYKY-MRXNPFEDSA-N 1 2 325.416 2.093 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cn(C)nn1 ZINC001158369504 1319207758 /nfs/dbraw/zinc/20/77/58/1319207758.db2.gz HKNNKKVKGFQFBQ-NVXWUHKLSA-N 1 2 333.480 2.230 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cn(C)nn1 ZINC001158369504 1319207763 /nfs/dbraw/zinc/20/77/63/1319207763.db2.gz HKNNKKVKGFQFBQ-NVXWUHKLSA-N 1 2 333.480 2.230 20 30 EEEDLO C=CCC[C@H](C)[N@@H+]1CC(=O)NC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001258725730 1319328070 /nfs/dbraw/zinc/32/80/70/1319328070.db2.gz MQZSRZQYZSQOAS-KBXCAEBGSA-N 1 2 337.464 2.153 20 30 EEEDLO C=CCC[C@H](C)[N@H+]1CC(=O)NC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001258725730 1319328082 /nfs/dbraw/zinc/32/80/82/1319328082.db2.gz MQZSRZQYZSQOAS-KBXCAEBGSA-N 1 2 337.464 2.153 20 30 EEEDLO N#Cc1cc2c(nc1N1CC[C@@H]([NH+]3CCCC3)C(F)(F)C1)CCOC2 ZINC001158629892 1319344460 /nfs/dbraw/zinc/34/44/60/1319344460.db2.gz WMXPXJAKUDRPLC-MRXNPFEDSA-N 1 2 348.397 2.336 20 30 EEEDLO C=CCOC(=O)N[C@H]1CCCN(c2nc(NC(C)C)c(OC)c[nH+]2)C1 ZINC001158906515 1319499477 /nfs/dbraw/zinc/49/94/77/1319499477.db2.gz DDGOHXQAQZZWPW-ZDUSSCGKSA-N 1 2 349.435 2.187 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)C[C@H](C)OC)CC1 ZINC001159524811 1319858685 /nfs/dbraw/zinc/85/86/85/1319858685.db2.gz OGGZJPYMPQOALD-ZDUSSCGKSA-N 1 2 345.281 2.458 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)C[C@H](C)OC)CC1 ZINC001159524811 1319858690 /nfs/dbraw/zinc/85/86/90/1319858690.db2.gz OGGZJPYMPQOALD-ZDUSSCGKSA-N 1 2 345.281 2.458 20 30 EEEDLO C=CCCC(=O)NCCC1=CC[N@H+]([C@H](C)c2nc(COC)no2)CC1 ZINC001159544210 1319873383 /nfs/dbraw/zinc/87/33/83/1319873383.db2.gz LGVCGZRXFIBVSE-CQSZACIVSA-N 1 2 348.447 2.382 20 30 EEEDLO C=CCCC(=O)NCCC1=CC[N@@H+]([C@H](C)c2nc(COC)no2)CC1 ZINC001159544210 1319873395 /nfs/dbraw/zinc/87/33/95/1319873395.db2.gz LGVCGZRXFIBVSE-CQSZACIVSA-N 1 2 348.447 2.382 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NCCC1=CC[N@H+]([C@H](C)c2ncccn2)CC1 ZINC001159979340 1320039183 /nfs/dbraw/zinc/03/91/83/1320039183.db2.gz MSMBTSUXCXZQLA-BEFAXECRSA-N 1 2 344.459 2.003 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NCCC1=CC[N@@H+]([C@H](C)c2ncccn2)CC1 ZINC001159979340 1320039187 /nfs/dbraw/zinc/03/91/87/1320039187.db2.gz MSMBTSUXCXZQLA-BEFAXECRSA-N 1 2 344.459 2.003 20 30 EEEDLO C=CCOc1ccccc1C(=O)NCCC[NH2+][C@@H](C)c1noc(C)n1 ZINC001161174547 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335.455 2.226 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)/C(C)=C/C)C2)c1 ZINC001206841149 1323627201 /nfs/dbraw/zinc/62/72/01/1323627201.db2.gz GJDQRSBCWIQXCW-ISXDEVHMSA-N 1 2 339.439 2.009 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)/C(C)=C/C)C2)c1 ZINC001206841149 1323627208 /nfs/dbraw/zinc/62/72/08/1323627208.db2.gz GJDQRSBCWIQXCW-ISXDEVHMSA-N 1 2 339.439 2.009 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)COC(C)(C)C ZINC001206888453 1323670937 /nfs/dbraw/zinc/67/09/37/1323670937.db2.gz GUGWEZLUEBAXLW-CXAGYDPISA-N 1 2 347.434 2.449 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)COC(C)(C)C ZINC001206888453 1323670940 /nfs/dbraw/zinc/67/09/40/1323670940.db2.gz GUGWEZLUEBAXLW-CXAGYDPISA-N 1 2 347.434 2.449 20 30 EEEDLO N#Cc1ccn2ncc(C[N@H+]3C[C@H]4CC[C@@H](C3)N4Cc3ccc[nH]3)c2c1 ZINC001279950104 1324038584 /nfs/dbraw/zinc/03/85/84/1324038584.db2.gz DFNDTUBFNWNYTB-KDURUIRLSA-N 1 2 346.438 2.383 20 30 EEEDLO 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C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](C)NC(=O)C=C2CCC2)c1 ZINC001754306486 1406882372 /nfs/dbraw/zinc/88/23/72/1406882372.db2.gz UJDXSBAGGATBHA-HNNXBMFYSA-N 1 2 339.439 2.153 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC1CCCCCC1 ZINC001754496664 1406920061 /nfs/dbraw/zinc/92/00/61/1406920061.db2.gz XHIWCPZJYSMBFK-WBVHZDCISA-N 1 2 335.492 2.228 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CC1CCCCCC1 ZINC001754496664 1406920064 /nfs/dbraw/zinc/92/00/64/1406920064.db2.gz XHIWCPZJYSMBFK-WBVHZDCISA-N 1 2 335.492 2.228 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)COCc1ccncc1 ZINC001402732605 1398163260 /nfs/dbraw/zinc/16/32/60/1398163260.db2.gz BLXWWUFTJYKQHB-INIZCTEOSA-N 1 2 337.851 2.321 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)COCc1ccncc1 ZINC001402732605 1398163263 /nfs/dbraw/zinc/16/32/63/1398163263.db2.gz BLXWWUFTJYKQHB-INIZCTEOSA-N 1 2 337.851 2.321 20 30 EEEDLO C#CCCCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1nc(CCC)no1 ZINC001754865131 1406969809 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346.434 2.376 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)C2(c3cccnc3)CC2)c1 ZINC001423113379 1400427347 /nfs/dbraw/zinc/42/73/47/1400427347.db2.gz PGVOXWVZXJPXBH-IBGZPJMESA-N 1 2 346.434 2.376 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ncnn2CC)[C@H](C)C1 ZINC001755164507 1407174923 /nfs/dbraw/zinc/17/49/23/1407174923.db2.gz WOOBRFYTPNVSSL-IAGOWNOFSA-N 1 2 345.491 2.351 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1CC[N@H+](Cc2ncnn2CC)[C@H](C)C1 ZINC001755164507 1407174928 /nfs/dbraw/zinc/17/49/28/1407174928.db2.gz WOOBRFYTPNVSSL-IAGOWNOFSA-N 1 2 345.491 2.351 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cn1ccc(C(F)(F)F)n1 ZINC001425054059 1401415743 /nfs/dbraw/zinc/41/57/43/1401415743.db2.gz ARWOPXVACNJRLW-SNVBAGLBSA-N 1 2 338.761 2.091 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cn1ccc(C(F)(F)F)n1 ZINC001425054059 1401415745 /nfs/dbraw/zinc/41/57/45/1401415745.db2.gz ARWOPXVACNJRLW-SNVBAGLBSA-N 1 2 338.761 2.091 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+](C)C[C@@H]2CCCN2C(=O)CSCC#N)o1 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ZINC001755883329 1407940666 /nfs/dbraw/zinc/94/06/66/1407940666.db2.gz IWPQZFHTJVIHDP-KBXCAEBGSA-N 1 2 333.432 2.119 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H](C)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001756028923 1408090207 /nfs/dbraw/zinc/09/02/07/1408090207.db2.gz BNZLLDHZVGYKLI-LSDHHAIUSA-N 1 2 346.475 2.011 20 30 EEEDLO C=CCCCC(=O)N1C[C@H](NC(=O)CCc2[nH+]ccn2C)C(C)(C)C1 ZINC001756186765 1408211420 /nfs/dbraw/zinc/21/14/20/1408211420.db2.gz SNAQNFYOQWJIRU-HNNXBMFYSA-N 1 2 346.475 2.062 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H](C)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001756472976 1408697313 /nfs/dbraw/zinc/69/73/13/1408697313.db2.gz HKQKGJNOFDIJDF-CABCVRRESA-N 1 2 346.475 2.011 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H](C)N(CC)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001756860941 1409414541 /nfs/dbraw/zinc/41/45/41/1409414541.db2.gz HWVRWSXHJBOJPO-OAHLLOKOSA-N 1 2 346.475 2.062 20 30 EEEDLO C#CCCCCCC(=O)N[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H]1C ZINC001757532200 1409750598 /nfs/dbraw/zinc/75/05/98/1409750598.db2.gz 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CC[C@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001212182783 790297407 /nfs/dbraw/zinc/29/74/07/790297407.db2.gz LPRZERPDZPUGMV-MORSLUCNSA-N 1 2 347.434 2.449 20 30 EEEDLO CC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001212182783 790297412 /nfs/dbraw/zinc/29/74/12/790297412.db2.gz LPRZERPDZPUGMV-MORSLUCNSA-N 1 2 347.434 2.449 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N(C)CCCNc3ncccc3C#N)ccn12 ZINC001109534091 805614278 /nfs/dbraw/zinc/61/42/78/805614278.db2.gz FNOPKMNNCHGGRA-UHFFFAOYSA-N 1 2 348.410 2.484 20 30 EEEDLO Cc1nsc(NC[C@@H](C)N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c1C#N ZINC001104624968 764560858 /nfs/dbraw/zinc/56/08/58/764560858.db2.gz UNUJSIGYFQYKJY-SNVBAGLBSA-N 1 2 346.460 2.283 20 30 EEEDLO C[C@H](CNc1ccc(C#N)cn1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001104730691 764851910 /nfs/dbraw/zinc/85/19/10/764851910.db2.gz KHVMMZJRZNLUHU-CYBMUJFWSA-N 1 2 334.383 2.174 20 30 EEEDLO C#CCCCCCC(=O)N(C)[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001104766938 765248941 /nfs/dbraw/zinc/24/89/41/765248941.db2.gz VTELLZAIUFTDNC-AWEZNQCLSA-N 1 2 342.447 2.206 20 30 EEEDLO C=CCCC1(C(=O)N(C)[C@@H](C)CNc2[nH+]cnc3c2cnn3C)CC1 ZINC001104787023 765286359 /nfs/dbraw/zinc/28/63/59/765286359.db2.gz RWCFWFXHKBGNPM-ZDUSSCGKSA-N 1 2 342.447 2.369 20 30 EEEDLO Cc1nsc(NC[C@H](C)N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1C#N ZINC001104851769 765426244 /nfs/dbraw/zinc/42/62/44/765426244.db2.gz YNAPVWTVWCHCGX-QWRGUYRKSA-N 1 2 346.460 2.184 20 30 EEEDLO Cc1nsc(NC[C@H](C)N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1C#N ZINC001104851769 765426251 /nfs/dbraw/zinc/42/62/51/765426251.db2.gz YNAPVWTVWCHCGX-QWRGUYRKSA-N 1 2 346.460 2.184 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCCC[C@H]1CCNc1cc[nH+]c(C)n1 ZINC001105062708 768971926 /nfs/dbraw/zinc/97/19/26/768971926.db2.gz CPSCKMKITMNASX-MAUKXSAKSA-N 1 2 332.448 2.295 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCC(CCN(C)c2cc[nH+]c(C)n2)CC1 ZINC001105100749 769070862 /nfs/dbraw/zinc/07/08/62/769070862.db2.gz IKCGNIWKZDQECH-LJQANCHMSA-N 1 2 346.475 2.177 20 30 EEEDLO Cc1noc(C)c1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031540597 769484466 /nfs/dbraw/zinc/48/44/66/769484466.db2.gz OFFCQNROWRNIOB-UHFFFAOYSA-N 1 2 342.374 2.164 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3(C)CCCCCC3)C2)nn1 ZINC001105262278 769500651 /nfs/dbraw/zinc/50/06/51/769500651.db2.gz SGKPQVQUZQHLFB-UHFFFAOYSA-N 1 2 343.475 2.135 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ccccc3O)C2)cc1F ZINC001031554426 769579143 /nfs/dbraw/zinc/57/91/43/769579143.db2.gz VXZYFGZWHTXPNN-UHFFFAOYSA-N 1 2 339.370 2.265 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H](C)C[C@H](C)Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001089473177 769617767 /nfs/dbraw/zinc/61/77/67/769617767.db2.gz GENMPQVYBJOFKT-STQMWFEESA-N 1 2 346.479 2.298 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(CC)n3)C[C@H]2C)CC1 ZINC000942600048 782823148 /nfs/dbraw/zinc/82/31/48/782823148.db2.gz JJPAJTNENKTTGH-QAPCUYQASA-N 1 2 345.491 2.371 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnn(CC)n3)C[C@H]2C)CC1 ZINC000942600048 782823155 /nfs/dbraw/zinc/82/31/55/782823155.db2.gz JJPAJTNENKTTGH-QAPCUYQASA-N 1 2 345.491 2.371 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(C)n3CC)C[C@@H]2C)C1 ZINC000942602196 782833446 /nfs/dbraw/zinc/83/34/46/782833446.db2.gz FNNYKSCTAQRCAJ-GOEBONIOSA-N 1 2 345.491 2.289 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(C)n3CC)C[C@@H]2C)C1 ZINC000942602196 782833452 /nfs/dbraw/zinc/83/34/52/782833452.db2.gz FNNYKSCTAQRCAJ-GOEBONIOSA-N 1 2 345.491 2.289 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ncnn3CCC)C[C@H]2C)C1 ZINC000942602251 782835068 /nfs/dbraw/zinc/83/50/68/782835068.db2.gz GKSLNYDMSZCGKV-CVEARBPZSA-N 1 2 345.491 2.371 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ncnn3CCC)C[C@H]2C)C1 ZINC000942602251 782835078 /nfs/dbraw/zinc/83/50/78/782835078.db2.gz GKSLNYDMSZCGKV-CVEARBPZSA-N 1 2 345.491 2.371 20 30 EEEDLO C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031637728 770520709 /nfs/dbraw/zinc/52/07/09/770520709.db2.gz MGGJCQSAAUTWBU-SUMWQHHRSA-N 1 2 345.418 2.060 20 30 EEEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)ns1 ZINC001031639074 770526560 /nfs/dbraw/zinc/52/65/60/770526560.db2.gz SRVJVUDBXAIKJC-UHFFFAOYSA-N 1 2 332.454 2.247 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(CC)o3)C[C@@H]2C)C1 ZINC000942607285 782846659 /nfs/dbraw/zinc/84/66/59/782846659.db2.gz BWXNWGRIERUFAJ-UONOGXRCSA-N 1 2 332.448 2.315 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(CC)o3)C[C@@H]2C)C1 ZINC000942607285 782846664 /nfs/dbraw/zinc/84/66/64/782846664.db2.gz BWXNWGRIERUFAJ-UONOGXRCSA-N 1 2 332.448 2.315 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001032046918 783161936 /nfs/dbraw/zinc/16/19/36/783161936.db2.gz HYIOMOGTWMFUEP-RDJZCZTQSA-N 1 2 349.862 2.264 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@H+]1Cc1nocc1C ZINC001027936321 774657438 /nfs/dbraw/zinc/65/74/38/774657438.db2.gz HVMCSEGAZMOHGR-OAHLLOKOSA-N 1 2 328.416 2.365 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1nocc1C ZINC001027936321 774657442 /nfs/dbraw/zinc/65/74/42/774657442.db2.gz HVMCSEGAZMOHGR-OAHLLOKOSA-N 1 2 328.416 2.365 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C(C)C)o3)C2)C1 ZINC000939103770 775505525 /nfs/dbraw/zinc/50/55/25/775505525.db2.gz YGQBVPJCLCLRRE-ZIAGYGMSSA-N 1 2 332.448 2.486 20 30 EEEDLO CC[C@H](OC)C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000980812480 775691043 /nfs/dbraw/zinc/69/10/43/775691043.db2.gz GMFKVKKBVAKGPS-KRWDZBQOSA-N 1 2 333.407 2.157 20 30 EEEDLO CC[C@H](OC)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000980812480 775691048 /nfs/dbraw/zinc/69/10/48/775691048.db2.gz GMFKVKKBVAKGPS-KRWDZBQOSA-N 1 2 333.407 2.157 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnc2ccccc2c1O ZINC001027995669 775809925 /nfs/dbraw/zinc/80/99/25/775809925.db2.gz UIZPCGAHBRSPHU-ZDUSSCGKSA-N 1 2 345.830 2.475 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2ccccc2c1O ZINC001027995669 775809942 /nfs/dbraw/zinc/80/99/42/775809942.db2.gz UIZPCGAHBRSPHU-ZDUSSCGKSA-N 1 2 345.830 2.475 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2coc(C)n2)C[C@H]1C ZINC000947212660 776572919 /nfs/dbraw/zinc/57/29/19/776572919.db2.gz WYVFFEZLDGCVTI-ZYHUDNBSSA-N 1 2 342.237 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2coc(C)n2)C[C@H]1C ZINC000947212660 776572927 /nfs/dbraw/zinc/57/29/27/776572927.db2.gz WYVFFEZLDGCVTI-ZYHUDNBSSA-N 1 2 342.237 2.474 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091374478 790485368 /nfs/dbraw/zinc/48/53/68/790485368.db2.gz SAQUXCZVXUEJAX-BETUJISGSA-N 1 2 342.447 2.272 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COc2ccc(Cl)cc21 ZINC001032518146 790519506 /nfs/dbraw/zinc/51/95/06/790519506.db2.gz CTICZFOCFQAZCC-DZKIICNBSA-N 1 2 330.815 2.124 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COc2ccc(Cl)cc21 ZINC001032518146 790519512 /nfs/dbraw/zinc/51/95/12/790519512.db2.gz CTICZFOCFQAZCC-DZKIICNBSA-N 1 2 330.815 2.124 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(CC(F)F)C1 ZINC001028099260 777596040 /nfs/dbraw/zinc/59/60/40/777596040.db2.gz LEFUWWHDJRHFQT-KGLIPLIRSA-N 1 2 349.853 2.297 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(CC(F)F)C1 ZINC001028099260 777596046 /nfs/dbraw/zinc/59/60/46/777596046.db2.gz LEFUWWHDJRHFQT-KGLIPLIRSA-N 1 2 349.853 2.297 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(CC(F)F)C1 ZINC001028099262 777596342 /nfs/dbraw/zinc/59/63/42/777596342.db2.gz LEFUWWHDJRHFQT-ZIAGYGMSSA-N 1 2 349.853 2.297 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(CC(F)F)C1 ZINC001028099262 777596352 /nfs/dbraw/zinc/59/63/52/777596352.db2.gz LEFUWWHDJRHFQT-ZIAGYGMSSA-N 1 2 349.853 2.297 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C2=CCCC2)cc1C#N ZINC001038159530 778773524 /nfs/dbraw/zinc/77/35/24/778773524.db2.gz YJALBULMJIZHHH-QGZVFWFLSA-N 1 2 325.412 2.368 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C2=CCCC2)cc1C#N ZINC001038159530 778773532 /nfs/dbraw/zinc/77/35/32/778773532.db2.gz YJALBULMJIZHHH-QGZVFWFLSA-N 1 2 325.412 2.368 20 30 EEEDLO Cc1c[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)n1 ZINC001028190745 778798087 /nfs/dbraw/zinc/79/80/87/778798087.db2.gz ASRSLMIRVGOFDN-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1c[nH]c(C(=O)NC[C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)n1 ZINC001028190745 778798093 /nfs/dbraw/zinc/79/80/93/778798093.db2.gz ASRSLMIRVGOFDN-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CCc3cccnc32)C1 ZINC001031930551 779988934 /nfs/dbraw/zinc/98/89/34/779988934.db2.gz ZDGIJRLWTILTNP-LJQANCHMSA-N 1 2 346.434 2.231 20 30 EEEDLO C=C1CCC(C(=O)NCC2C[NH+](CC(=O)N3CCC[C@@H](C)C3)C2)CC1 ZINC001031951749 780551436 /nfs/dbraw/zinc/55/14/36/780551436.db2.gz NWBPNCHOBPNIBZ-MRXNPFEDSA-N 1 2 347.503 2.039 20 30 EEEDLO C=CCCn1cc(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)nn1 ZINC000847008515 790825579 /nfs/dbraw/zinc/82/55/79/790825579.db2.gz KWAQODASWGZVLR-UHFFFAOYSA-N 1 2 329.448 2.431 20 30 EEEDLO C=CCCn1cc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)nn1 ZINC000847008515 790825580 /nfs/dbraw/zinc/82/55/80/790825580.db2.gz KWAQODASWGZVLR-UHFFFAOYSA-N 1 2 329.448 2.431 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H](n2cc(C[NH2+]C/C=C\Cl)nn2)C1 ZINC001098681431 780983999 /nfs/dbraw/zinc/98/39/99/780983999.db2.gz SLTSBXQMIDWORS-YFUKIHRRSA-N 1 2 337.855 2.250 20 30 EEEDLO C#CCO[C@H](C)C(=O)N(C)CCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001112125958 780998138 /nfs/dbraw/zinc/99/81/38/780998138.db2.gz UESDBEDEKBIGEQ-MRXNPFEDSA-N 1 2 346.475 2.231 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC3(C)C)[C@@H]2C1 ZINC001075689571 781108711 /nfs/dbraw/zinc/10/87/11/781108711.db2.gz RQRZUNUWQSLMNP-YNEHKIRRSA-N 1 2 327.266 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC3(C)C)[C@@H]2C1 ZINC001075689571 781108715 /nfs/dbraw/zinc/10/87/15/781108715.db2.gz RQRZUNUWQSLMNP-YNEHKIRRSA-N 1 2 327.266 2.474 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(C)CCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001105379929 781283103 /nfs/dbraw/zinc/28/31/03/781283103.db2.gz RMIRUBYWYSFRHF-GOSISDBHSA-N 1 2 334.464 2.130 20 30 EEEDLO CC#CCCCC(=O)NCCN(CCOC)c1nc(C)[nH+]c(C)c1C ZINC001126483763 781375045 /nfs/dbraw/zinc/37/50/45/781375045.db2.gz UPONFSPQJWCNAY-UHFFFAOYSA-N 1 2 346.475 2.164 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001075776413 781475420 /nfs/dbraw/zinc/47/54/20/781475420.db2.gz MUHAKOHTRRAFSF-KBXCAEBGSA-N 1 2 330.378 2.411 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](Cc3c(F)cccc3F)C[C@H]21 ZINC001075776413 781475427 /nfs/dbraw/zinc/47/54/27/781475427.db2.gz MUHAKOHTRRAFSF-KBXCAEBGSA-N 1 2 330.378 2.411 20 30 EEEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC(C)(C)C ZINC001211866932 781575925 /nfs/dbraw/zinc/57/59/25/781575925.db2.gz JHIWEOHSQOBDCK-QZTJIDSGSA-N 1 2 328.456 2.290 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC(C)(C)C ZINC001211866932 781575930 /nfs/dbraw/zinc/57/59/30/781575930.db2.gz JHIWEOHSQOBDCK-QZTJIDSGSA-N 1 2 328.456 2.290 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2C)[C@H]1CC ZINC001087565152 781847131 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ZINC001091647083 791917960 /nfs/dbraw/zinc/91/79/60/791917960.db2.gz GWMYWUSSONKHTQ-DZGCQCFKSA-N 1 2 338.415 2.006 20 30 EEEDLO N#Cc1ccc(N[C@@H]2CC[C@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)nc1 ZINC001091647083 791917965 /nfs/dbraw/zinc/91/79/65/791917965.db2.gz GWMYWUSSONKHTQ-DZGCQCFKSA-N 1 2 338.415 2.006 20 30 EEEDLO Cc1nnc([C@@H](C)[N@@H+]2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)s1 ZINC001091659504 791946680 /nfs/dbraw/zinc/94/66/80/791946680.db2.gz LSJDSWVHJTYLOB-DWQUBVKVSA-N 1 2 344.484 2.101 20 30 EEEDLO Cc1nnc([C@@H](C)[N@H+]2C[C@@H]3CN(C(=O)C#CC4CC4)C[C@]3(C)C2)s1 ZINC001091659504 791946684 /nfs/dbraw/zinc/94/66/84/791946684.db2.gz LSJDSWVHJTYLOB-DWQUBVKVSA-N 1 2 344.484 2.101 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](CNc1cccc(F)c1C#N)C1CC1 ZINC001109881957 806124390 /nfs/dbraw/zinc/12/43/90/806124390.db2.gz LWJYORDJZLFFAX-QGZVFWFLSA-N 1 2 341.390 2.278 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nncn1C)C2 ZINC001148146266 792186813 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EEEDLO N#Cc1cccnc1NC[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001109940628 806252497 /nfs/dbraw/zinc/25/24/97/806252497.db2.gz VMTYIKXWIOTFLR-HNNXBMFYSA-N 1 2 346.394 2.221 20 30 EEEDLO C[C@H]1C[C@H](Nc2cccc(F)c2C#N)CCN1C(=O)Cn1cc[nH+]c1 ZINC001064786085 793731072 /nfs/dbraw/zinc/73/10/72/793731072.db2.gz WORINMGGWLBWHJ-UONOGXRCSA-N 1 2 341.390 2.385 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](Nc2ccc(C#N)cn2)C[C@H]1C ZINC001064788522 793762121 /nfs/dbraw/zinc/76/21/21/793762121.db2.gz OXOBGOUOTXXIIN-DOMZBBRYSA-N 1 2 338.415 2.019 20 30 EEEDLO C=CCOCCCC(=O)N1C[C@H]2CN(c3cc[nH+]c(C)n3)C[C@@]2(C)C1 ZINC001092281155 793797022 /nfs/dbraw/zinc/79/70/22/793797022.db2.gz UVDUNUHIDQVTSB-APWZRJJASA-N 1 2 344.459 2.053 20 30 EEEDLO Cc1nsc(N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H](C)C2)c1C#N ZINC001064831950 793820517 /nfs/dbraw/zinc/82/05/17/793820517.db2.gz HPFQPULCXYVMJJ-JQWIXIFHSA-N 1 2 344.444 2.080 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1C=CCCC1)c1nccn12 ZINC001092378587 793872247 /nfs/dbraw/zinc/87/22/47/793872247.db2.gz OWDXRBXJOHJXNY-HOTGVXAUSA-N 1 2 326.444 2.387 20 30 EEEDLO C=CCCOCC(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1C ZINC001092376781 793919470 /nfs/dbraw/zinc/91/94/70/793919470.db2.gz KLSMLAFUADODAN-CXAGYDPISA-N 1 2 346.475 2.183 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C1(F)CCCCC1)c1nccn12 ZINC001092407390 793954645 /nfs/dbraw/zinc/95/46/45/793954645.db2.gz JXJDWCANSZGWDI-AWEZNQCLSA-N 1 2 332.423 2.313 20 30 EEEDLO N#Cc1cccnc1NC[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001064973380 794040114 /nfs/dbraw/zinc/04/01/14/794040114.db2.gz PRJSMORGFXOKKR-HNNXBMFYSA-N 1 2 346.394 2.318 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H](CNc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001109991775 806343059 /nfs/dbraw/zinc/34/30/59/806343059.db2.gz QOBONPSPCYAZDL-CQSZACIVSA-N 1 2 346.479 2.155 20 30 EEEDLO C[C@@H](CC(=O)N[C@H](CNc1ccc(C#N)nc1)C1CC1)n1cc[nH+]c1 ZINC001109991899 806343448 /nfs/dbraw/zinc/34/34/48/806343448.db2.gz UUHSZOAPEPQERM-SUMWQHHRSA-N 1 2 338.415 2.108 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001079539384 794871802 /nfs/dbraw/zinc/87/18/02/794871802.db2.gz FYYAIFKJNAYFEK-LPUQOGTASA-N 1 2 327.266 2.378 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001079539384 794871811 /nfs/dbraw/zinc/87/18/11/794871811.db2.gz FYYAIFKJNAYFEK-LPUQOGTASA-N 1 2 327.266 2.378 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([NH2+][C@@H](C)c3nc(C)no3)C2)cc1 ZINC000999854635 795010889 /nfs/dbraw/zinc/01/08/89/795010889.db2.gz BVUITVWPTZHWTR-SUMWQHHRSA-N 1 2 338.411 2.315 20 30 EEEDLO C=CCC1(C(=O)N2CC(N(CC)C(=O)CCc3[nH]cc[nH+]3)C2)CCC1 ZINC001079695286 795112755 /nfs/dbraw/zinc/11/27/55/795112755.db2.gz ZRPMPTDZQPMKDD-UHFFFAOYSA-N 1 2 344.459 2.148 20 30 EEEDLO C=CC(C)(C)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001079845889 795277455 /nfs/dbraw/zinc/27/74/55/795277455.db2.gz RGFIXXCTOVQTNU-HUUCEWRRSA-N 1 2 344.459 2.175 20 30 EEEDLO C=CC(C)(C)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001079845889 795277456 /nfs/dbraw/zinc/27/74/56/795277456.db2.gz RGFIXXCTOVQTNU-HUUCEWRRSA-N 1 2 344.459 2.175 20 30 EEEDLO C=CCOCC(=O)N[C@H](C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106243321 795282356 /nfs/dbraw/zinc/28/23/56/795282356.db2.gz PTLVEFBXPRWARF-CYBMUJFWSA-N 1 2 332.448 2.173 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CCc3ccco3)CC2)C1 ZINC001093505776 795290031 /nfs/dbraw/zinc/29/00/31/795290031.db2.gz QKWGDUSDKNCCQH-UHFFFAOYSA-N 1 2 332.444 2.480 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cccnc3C3CC3)CC2)C1 ZINC001093550375 795369780 /nfs/dbraw/zinc/36/97/80/795369780.db2.gz OOVGFPUIBDRESN-UHFFFAOYSA-N 1 2 341.455 2.450 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCO[C@@H](CC)C3)CC2)C1 ZINC001093590787 795403920 /nfs/dbraw/zinc/40/39/20/795403920.db2.gz RZFPMQUXKDHIRJ-HOTGVXAUSA-N 1 2 336.476 2.069 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)Cc3ccccc3OC)CC2)C1 ZINC001093595703 795435839 /nfs/dbraw/zinc/43/58/39/795435839.db2.gz QNIVCJTXGFYLCF-UHFFFAOYSA-N 1 2 344.455 2.116 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H](C)CO1 ZINC000915215885 795733100 /nfs/dbraw/zinc/73/31/00/795733100.db2.gz BOJRSOSVOFXYHK-GUTXKFCHSA-N 1 2 336.395 2.333 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H](C)CO1 ZINC000915215885 795733106 /nfs/dbraw/zinc/73/31/06/795733106.db2.gz BOJRSOSVOFXYHK-GUTXKFCHSA-N 1 2 336.395 2.333 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC(N(CC)C(=O)CCc2[nH+]ccn2C)C1 ZINC001080241429 795748092 /nfs/dbraw/zinc/74/80/92/795748092.db2.gz DPNZCTDNBUATHK-UHFFFAOYSA-N 1 2 346.475 2.014 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H](C)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106525935 795772536 /nfs/dbraw/zinc/77/25/36/795772536.db2.gz YYIVEDFTYAQWTM-JSGCOSHPSA-N 1 2 334.468 2.155 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@H](C)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106537076 795783198 /nfs/dbraw/zinc/78/31/98/795783198.db2.gz JMEAEWNJCCAXED-LSDHHAIUSA-N 1 2 345.491 2.374 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@H](C)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106537076 795783202 /nfs/dbraw/zinc/78/32/02/795783202.db2.gz JMEAEWNJCCAXED-LSDHHAIUSA-N 1 2 345.491 2.374 20 30 EEEDLO C=CCC1(C(=O)N[C@H](C)CCNc2[nH+]cnc3c2cnn3C)CCC1 ZINC001106555709 795825102 /nfs/dbraw/zinc/82/51/02/795825102.db2.gz QQEWIIDAEIQUQX-CYBMUJFWSA-N 1 2 342.447 2.416 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N(CC)C1CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001080288836 795835216 /nfs/dbraw/zinc/83/52/16/795835216.db2.gz CURCYCXVRIZEQH-CVEARBPZSA-N 1 2 346.475 2.181 20 30 EEEDLO C[C@H](CCNc1ccc(C#N)nc1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001106592862 795906275 /nfs/dbraw/zinc/90/62/75/795906275.db2.gz JZYGDLUIHVOYQQ-KGLIPLIRSA-N 1 2 326.404 2.108 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C)oc1C ZINC000993211425 795971790 /nfs/dbraw/zinc/97/17/90/795971790.db2.gz WZOXANUBUZXPOG-SWLSCSKDSA-N 1 2 341.415 2.274 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C)oc1C ZINC000993211425 795971792 /nfs/dbraw/zinc/97/17/92/795971792.db2.gz WZOXANUBUZXPOG-SWLSCSKDSA-N 1 2 341.415 2.274 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001060960146 796056473 /nfs/dbraw/zinc/05/64/73/796056473.db2.gz QZAAOYKVHJLKSS-CQSZACIVSA-N 1 2 346.479 2.109 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C34CCC(CC3)CC4)nn2)C1 ZINC001094338289 796113158 /nfs/dbraw/zinc/11/31/58/796113158.db2.gz CUCDCNUQFGBCPW-UHFFFAOYSA-N 1 2 343.475 2.298 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)c2c(C)noc2C)C1 ZINC001108034571 796175891 /nfs/dbraw/zinc/17/58/91/796175891.db2.gz ZZEQOFSMLIIMSP-ACJLOTCBSA-N 1 2 335.448 2.178 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H](C)c2c(C)noc2C)C1 ZINC001108034571 796175894 /nfs/dbraw/zinc/17/58/94/796175894.db2.gz ZZEQOFSMLIIMSP-ACJLOTCBSA-N 1 2 335.448 2.178 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C(C)(C)CC(C)(C)C)C2)nn1 ZINC001098789724 796271712 /nfs/dbraw/zinc/27/17/12/796271712.db2.gz IRBCLOFKTUKUKH-INIZCTEOSA-N 1 2 345.491 2.237 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)[C@H]1C ZINC000993339938 796428026 /nfs/dbraw/zinc/42/80/26/796428026.db2.gz FCTCFRKSCOZYTR-WMLDXEAASA-N 1 2 337.427 2.373 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@H]1C ZINC000993339938 796428029 /nfs/dbraw/zinc/42/80/29/796428029.db2.gz FCTCFRKSCOZYTR-WMLDXEAASA-N 1 2 337.427 2.373 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(CC)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001106744464 796431638 /nfs/dbraw/zinc/43/16/38/796431638.db2.gz ONRICXOLNSAUBS-LJQANCHMSA-N 1 2 346.475 2.251 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001080924774 796482948 /nfs/dbraw/zinc/48/29/48/796482948.db2.gz OIMKRRPKDRLSOS-IAQYHMDHSA-N 1 2 347.850 2.254 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001080924774 796482950 /nfs/dbraw/zinc/48/29/50/796482950.db2.gz OIMKRRPKDRLSOS-IAQYHMDHSA-N 1 2 347.850 2.254 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)CC3CCCCCC3)CC2=O)C1 ZINC001094787782 796580656 /nfs/dbraw/zinc/58/06/56/796580656.db2.gz GSDZTIUXFQIOIL-KRWDZBQOSA-N 1 2 347.503 2.324 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C(C)(C)C3CCCCC3)CC2=O)C1 ZINC001094795670 796587464 /nfs/dbraw/zinc/58/74/64/796587464.db2.gz VXXJWPBKDKHXQB-INIZCTEOSA-N 1 2 347.503 2.180 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2c(C)nn(C)c2C)C1 ZINC001081047565 796588703 /nfs/dbraw/zinc/58/87/03/796588703.db2.gz IRMIBMPHDYENEK-IXPVHAAZSA-N 1 2 338.883 2.329 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2c(C)nn(C)c2C)C1 ZINC001081047565 796588707 /nfs/dbraw/zinc/58/87/07/796588707.db2.gz IRMIBMPHDYENEK-IXPVHAAZSA-N 1 2 338.883 2.329 20 30 EEEDLO N#Cc1ccc(NCCCCCCNC(=O)CCc2[nH]cc[nH+]2)nc1 ZINC001094956495 797110214 /nfs/dbraw/zinc/11/02/14/797110214.db2.gz SFXCJOSQQCZNFO-UHFFFAOYSA-N 1 2 340.431 2.398 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2coc(C3CCCCC3)n2)[C@H](OC)C1 ZINC001082391408 797492445 /nfs/dbraw/zinc/49/24/45/797492445.db2.gz JCNRIYLNZMCPKH-NVXWUHKLSA-N 1 2 345.443 2.175 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2coc(C3CCCCC3)n2)[C@H](OC)C1 ZINC001082391408 797492449 /nfs/dbraw/zinc/49/24/49/797492449.db2.gz JCNRIYLNZMCPKH-NVXWUHKLSA-N 1 2 345.443 2.175 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3cccc(Cl)c3o2)[C@H](OC)C1 ZINC001082402061 797499191 /nfs/dbraw/zinc/49/91/91/797499191.db2.gz REBMFVFOTPNPLG-UKRRQHHQSA-N 1 2 332.787 2.148 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3cccc(Cl)c3o2)[C@H](OC)C1 ZINC001082402061 797499196 /nfs/dbraw/zinc/49/91/96/797499196.db2.gz REBMFVFOTPNPLG-UKRRQHHQSA-N 1 2 332.787 2.148 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCC(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001095246449 797557752 /nfs/dbraw/zinc/55/77/52/797557752.db2.gz QBAHMFPAVOOXJB-ZDUSSCGKSA-N 1 2 342.447 2.369 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC(Nc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001095247464 797597420 /nfs/dbraw/zinc/59/74/20/797597420.db2.gz KIUATXFNPIHBFL-STQMWFEESA-N 1 2 346.479 2.107 20 30 EEEDLO C=CCOCC(=O)N1CCC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095294572 797737499 /nfs/dbraw/zinc/73/74/99/797737499.db2.gz RBYHGDZHQBVKCH-HNNXBMFYSA-N 1 2 330.432 2.268 20 30 EEEDLO N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)cn1 ZINC001095300453 797762800 /nfs/dbraw/zinc/76/28/00/797762800.db2.gz BBRMDVXFZFMRAK-QGZVFWFLSA-N 1 2 338.415 2.033 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2c(C)nn(C)c2F)[C@@H]1C ZINC000994344753 797827245 /nfs/dbraw/zinc/82/72/45/797827245.db2.gz HMYDXSXOGKAWLX-NWDGAFQWSA-N 1 2 328.819 2.203 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2c(C)nn(C)c2F)[C@@H]1C ZINC000994344753 797827250 /nfs/dbraw/zinc/82/72/50/797827250.db2.gz HMYDXSXOGKAWLX-NWDGAFQWSA-N 1 2 328.819 2.203 20 30 EEEDLO O=C(CC1CCC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083036058 797831410 /nfs/dbraw/zinc/83/14/10/797831410.db2.gz POAVYGINRNBTKT-VQTJNVASSA-N 1 2 338.451 2.140 20 30 EEEDLO O=C(CC1CCC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083036058 797831414 /nfs/dbraw/zinc/83/14/14/797831414.db2.gz POAVYGINRNBTKT-VQTJNVASSA-N 1 2 338.451 2.140 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C(N)=O)cc2)[C@@H]1C ZINC000994390854 797927574 /nfs/dbraw/zinc/92/75/74/797927574.db2.gz QYNJHLNLTBQJSA-SWLSCSKDSA-N 1 2 335.835 2.121 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(N)=O)cc2)[C@@H]1C ZINC000994390854 797927576 /nfs/dbraw/zinc/92/75/76/797927576.db2.gz QYNJHLNLTBQJSA-SWLSCSKDSA-N 1 2 335.835 2.121 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H]2COc3ccccc3O2)c1 ZINC000917065876 798054787 /nfs/dbraw/zinc/05/47/87/798054787.db2.gz WEFLEFRRIYZLAQ-KRWDZBQOSA-N 1 2 336.391 2.378 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H]2COc3ccccc3O2)c1 ZINC000917065876 798054794 /nfs/dbraw/zinc/05/47/94/798054794.db2.gz WEFLEFRRIYZLAQ-KRWDZBQOSA-N 1 2 336.391 2.378 20 30 EEEDLO Cc1ocnc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084221415 798081642 /nfs/dbraw/zinc/08/16/42/798081642.db2.gz VFKAAJWPKJQOCZ-IAGOWNOFSA-N 1 2 336.395 2.201 20 30 EEEDLO Cc1ocnc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084221415 798081650 /nfs/dbraw/zinc/08/16/50/798081650.db2.gz VFKAAJWPKJQOCZ-IAGOWNOFSA-N 1 2 336.395 2.201 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@H](Nc2ccc(C#N)nc2)C1 ZINC001061098707 798206812 /nfs/dbraw/zinc/20/68/12/798206812.db2.gz QGKITEGBNYZYCY-UONOGXRCSA-N 1 2 338.415 2.067 20 30 EEEDLO C[C@@H](C[C@H](C)Nc1cccc(F)c1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001089381478 798276441 /nfs/dbraw/zinc/27/64/41/798276441.db2.gz SHOKGHPEFTXHDK-RYUDHWBXSA-N 1 2 329.379 2.358 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc4c(c3)CCO4)[C@@H]2C1 ZINC001084561002 798284590 /nfs/dbraw/zinc/28/45/90/798284590.db2.gz NAWSDIUFQIMEQR-IAGOWNOFSA-N 1 2 346.858 2.449 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc4c(c3)CCO4)[C@@H]2C1 ZINC001084561002 798284592 /nfs/dbraw/zinc/28/45/92/798284592.db2.gz NAWSDIUFQIMEQR-IAGOWNOFSA-N 1 2 346.858 2.449 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]c4cnccc34)[C@@H]2C1 ZINC001084606205 798311338 /nfs/dbraw/zinc/31/13/38/798311338.db2.gz NXCFGWCEHAEGNB-CXAGYDPISA-N 1 2 344.846 2.391 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]c4cnccc34)[C@@H]2C1 ZINC001084606205 798311343 /nfs/dbraw/zinc/31/13/43/798311343.db2.gz NXCFGWCEHAEGNB-CXAGYDPISA-N 1 2 344.846 2.391 20 30 EEEDLO Cc1nocc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084627123 798322232 /nfs/dbraw/zinc/32/22/32/798322232.db2.gz NRYRPYHXIYPUFE-SJLPKXTDSA-N 1 2 336.395 2.201 20 30 EEEDLO Cc1nocc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084627123 798322237 /nfs/dbraw/zinc/32/22/37/798322237.db2.gz NRYRPYHXIYPUFE-SJLPKXTDSA-N 1 2 336.395 2.201 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3n[nH]c(C)c3C(F)(F)F)[C@@H]2C1 ZINC001084660495 798350740 /nfs/dbraw/zinc/35/07/40/798350740.db2.gz IXHVUFUOEGQWBH-VXGBXAGGSA-N 1 2 342.365 2.459 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3n[nH]c(C)c3C(F)(F)F)[C@@H]2C1 ZINC001084660495 798350744 /nfs/dbraw/zinc/35/07/44/798350744.db2.gz IXHVUFUOEGQWBH-VXGBXAGGSA-N 1 2 342.365 2.459 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CCC(NC(=O)c2ncccc2O)CC1 ZINC001002663615 798414005 /nfs/dbraw/zinc/41/40/05/798414005.db2.gz JOLBCCHDDCYXQG-UHFFFAOYSA-N 1 2 336.395 2.053 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2CCCO[C@@H]2C)CC1 ZINC001002687107 798453294 /nfs/dbraw/zinc/45/32/94/798453294.db2.gz FQDCXZBFXVJJLB-TZMCWYRMSA-N 1 2 345.281 2.291 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001002768398 798572915 /nfs/dbraw/zinc/57/29/15/798572915.db2.gz PQKMDECPIODBBX-RRFJBIMHSA-N 1 2 344.459 2.175 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001002768398 798572919 /nfs/dbraw/zinc/57/29/19/798572919.db2.gz PQKMDECPIODBBX-RRFJBIMHSA-N 1 2 344.459 2.175 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001061145641 798598500 /nfs/dbraw/zinc/59/85/00/798598500.db2.gz SQNFMXYXBSACFA-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO CCCCCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccn[nH]3)C[C@@H]21 ZINC001176930354 798633467 /nfs/dbraw/zinc/63/34/67/798633467.db2.gz RCGWJRCCHWXXQX-DLBZAZTESA-N 1 2 334.464 2.295 20 30 EEEDLO CCCCCCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccn[nH]3)C[C@@H]21 ZINC001176930354 798633471 /nfs/dbraw/zinc/63/34/71/798633471.db2.gz RCGWJRCCHWXXQX-DLBZAZTESA-N 1 2 334.464 2.295 20 30 EEEDLO N#CC1(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)Cc2ccccc2C1 ZINC001176974406 798667727 /nfs/dbraw/zinc/66/77/27/798667727.db2.gz VDHDNTAGQOQZGE-GOSISDBHSA-N 1 2 346.434 2.475 20 30 EEEDLO CC(C)C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccccc1CC#N ZINC000922027477 798701016 /nfs/dbraw/zinc/70/10/16/798701016.db2.gz YRCMLGUPLUYOIE-INIZCTEOSA-N 1 2 335.473 2.103 20 30 EEEDLO CC(C)C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccccc1CC#N ZINC000922027477 798701018 /nfs/dbraw/zinc/70/10/18/798701018.db2.gz YRCMLGUPLUYOIE-INIZCTEOSA-N 1 2 335.473 2.103 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@@H+](CCOCC(C)C)[C@@H]2C1 ZINC001177025887 798702431 /nfs/dbraw/zinc/70/24/31/798702431.db2.gz UTNILAGBDBCCKW-MSOLQXFVSA-N 1 2 338.492 2.317 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@H+](CCOCC(C)C)[C@@H]2C1 ZINC001177025887 798702435 /nfs/dbraw/zinc/70/24/35/798702435.db2.gz UTNILAGBDBCCKW-MSOLQXFVSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](CCOCCCC)[C@H]2C1 ZINC001177061222 798721815 /nfs/dbraw/zinc/72/18/15/798721815.db2.gz JRYVOYNKJMQVTO-DLBZAZTESA-N 1 2 338.492 2.317 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](CCOCCCC)[C@H]2C1 ZINC001177061222 798721819 /nfs/dbraw/zinc/72/18/19/798721819.db2.gz JRYVOYNKJMQVTO-DLBZAZTESA-N 1 2 338.492 2.317 20 30 EEEDLO CCCCCCCCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001177140340 798768380 /nfs/dbraw/zinc/76/83/80/798768380.db2.gz YMSHARHIIMLEJZ-SJORKVTESA-N 1 2 326.481 2.031 20 30 EEEDLO CCCCCCCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001177140340 798768384 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N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cnc3n2CCCC3)CC1 ZINC001004527497 802300512 /nfs/dbraw/zinc/30/05/12/802300512.db2.gz MKCWQEIIUKKYCF-INIZCTEOSA-N 1 2 341.459 2.060 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@H](C)c3noc(C)n3)C2)cc1 ZINC001086165086 802366991 /nfs/dbraw/zinc/36/69/91/802366991.db2.gz VTTJMLYMJJRDBR-VMGRFDJRSA-N 1 2 338.411 2.219 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cc(C3CC3)no2)CC1 ZINC001004567597 802384483 /nfs/dbraw/zinc/38/44/83/802384483.db2.gz ITHITXKRTHDIAU-INIZCTEOSA-N 1 2 328.416 2.392 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cc(C3CC3)no2)CC1 ZINC001004567597 802384492 /nfs/dbraw/zinc/38/44/92/802384492.db2.gz ITHITXKRTHDIAU-INIZCTEOSA-N 1 2 328.416 2.392 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnn3ccccc23)CC1 ZINC001004583349 802420176 /nfs/dbraw/zinc/42/01/76/802420176.db2.gz NWMMQWZDOFJCOQ-QGZVFWFLSA-N 1 2 337.427 2.174 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnn3ccccc23)CC1 ZINC001004583349 802420179 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C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCc2ccc(F)cc2F)C1 ZINC001108318104 803269093 /nfs/dbraw/zinc/26/90/93/803269093.db2.gz WCBDHZKRVNRYEB-GOSISDBHSA-N 1 2 338.398 2.291 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC001108320812 803275298 /nfs/dbraw/zinc/27/52/98/803275298.db2.gz QKZLOZDFNXDTFH-LJQANCHMSA-N 1 2 340.427 2.083 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC001108320812 803275303 /nfs/dbraw/zinc/27/53/03/803275303.db2.gz QKZLOZDFNXDTFH-LJQANCHMSA-N 1 2 340.427 2.083 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001033218825 803324421 /nfs/dbraw/zinc/32/44/21/803324421.db2.gz DBNVWCNUZMWQFC-AWEZNQCLSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001033218825 803324429 /nfs/dbraw/zinc/32/44/29/803324429.db2.gz DBNVWCNUZMWQFC-AWEZNQCLSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001033219278 803328705 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Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CNc3ccc(C#N)cn3)ccn12 ZINC001108537489 804006631 /nfs/dbraw/zinc/00/66/31/804006631.db2.gz YMNQQHHOQCNKBO-LBPRGKRZSA-N 1 2 334.383 2.140 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](CCC)CC(C)C)CC2=O)C1 ZINC001108592366 804264494 /nfs/dbraw/zinc/26/44/94/804264494.db2.gz TXOIUHXDFFAWAD-IRXDYDNUSA-N 1 2 349.519 2.426 20 30 EEEDLO Cc1cc(N(C)C[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)nc(C(C)C)[nH+]1 ZINC001108900036 804644267 /nfs/dbraw/zinc/64/42/67/804644267.db2.gz TUQNKNHURLBKIT-CYBMUJFWSA-N 1 2 340.431 2.363 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H](C)CN(C)c1[nH+]cnc2c1cnn2C ZINC001109114372 804973896 /nfs/dbraw/zinc/97/38/96/804973896.db2.gz JXNGBEDVOQFVOY-CYBMUJFWSA-N 1 2 342.447 2.073 20 30 EEEDLO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)C)C3)sn1 ZINC001109246093 805185426 /nfs/dbraw/zinc/18/54/26/805185426.db2.gz OJNRKQPFCLLUDL-SNPRPXQTSA-N 1 2 333.457 2.033 20 30 EEEDLO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)C)C3)sn1 ZINC001109246093 805185430 /nfs/dbraw/zinc/18/54/30/805185430.db2.gz OJNRKQPFCLLUDL-SNPRPXQTSA-N 1 2 333.457 2.033 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](CCOc2cccc(CC)c2)CC1 ZINC001112814815 807330176 /nfs/dbraw/zinc/33/01/76/807330176.db2.gz VRJFUXRZCDARAF-HXUWFJFHSA-N 1 2 346.471 2.099 20 30 EEEDLO C#CCC1(C(=O)N2CC[NH+](Cc3ccc4nonc4c3)CC2)CCC1 ZINC001112953476 807702311 /nfs/dbraw/zinc/70/23/11/807702311.db2.gz ZANSOKNZMHNTHT-UHFFFAOYSA-N 1 2 338.411 2.061 20 30 EEEDLO C[C@@H](Nc1ccc(C#N)cn1)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001113350741 808762888 /nfs/dbraw/zinc/76/28/88/808762888.db2.gz XYSCDDBZJOVQMG-NEPJUHHUSA-N 1 2 334.383 2.448 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](CC)c2c(C)noc2C)CC1 ZINC001113430980 808960435 /nfs/dbraw/zinc/96/04/35/808960435.db2.gz DUWNDNLUINWIFP-MRXNPFEDSA-N 1 2 335.448 2.132 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(C)nc2OCCC)CC1 ZINC001113481744 809047900 /nfs/dbraw/zinc/04/79/00/809047900.db2.gz IEIHRMZYDIPRCX-UHFFFAOYSA-N 1 2 347.459 2.139 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cccc(-c3cnco3)c2)CC1 ZINC001113487175 809073523 /nfs/dbraw/zinc/07/35/23/809073523.db2.gz OAZCBBXVWUBNRF-UHFFFAOYSA-N 1 2 341.411 2.302 20 30 EEEDLO C=C(CO)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000791323604 809180263 /nfs/dbraw/zinc/18/02/63/809180263.db2.gz SBEWASQOIGLVNL-CQSZACIVSA-N 1 2 326.799 2.281 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)[C@@H](O)C1 ZINC001090457288 809411191 /nfs/dbraw/zinc/41/11/91/809411191.db2.gz BLAKQGLORQTABI-YOEHRIQHSA-N 1 2 347.846 2.394 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)[C@@H](O)C1 ZINC001090457288 809411192 /nfs/dbraw/zinc/41/11/92/809411192.db2.gz BLAKQGLORQTABI-YOEHRIQHSA-N 1 2 347.846 2.394 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)N(C)c3ccc(C#N)nc3)ccn12 ZINC001113719327 809640235 /nfs/dbraw/zinc/64/02/35/809640235.db2.gz BLKLASGFKBALKD-CYBMUJFWSA-N 1 2 348.410 2.164 20 30 EEEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccc(-n2cccn2)nn1 ZINC000792629541 809884556 /nfs/dbraw/zinc/88/45/56/809884556.db2.gz LTSVIVBMXYYDOS-UHFFFAOYSA-N 1 2 333.399 2.466 20 30 EEEDLO C#CCNC(=O)C1CC[NH+]([C@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000792867259 810038176 /nfs/dbraw/zinc/03/81/76/810038176.db2.gz NEKBAQXDJJPQFJ-CQSZACIVSA-N 1 2 338.411 2.259 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](C)N(C)c1cccc(F)c1C#N ZINC001113918482 810071278 /nfs/dbraw/zinc/07/12/78/810071278.db2.gz MEHOCXPKYNQGMU-CHWSQXEVSA-N 1 2 343.406 2.240 20 30 EEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](C)N(C)c1cccc(F)c1C#N ZINC001113918482 810071281 /nfs/dbraw/zinc/07/12/81/810071281.db2.gz MEHOCXPKYNQGMU-CHWSQXEVSA-N 1 2 343.406 2.240 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCSCC ZINC001113941814 810098741 /nfs/dbraw/zinc/09/87/41/810098741.db2.gz BIRACKBEXYCPFD-PJXYFTJBSA-N 1 2 333.295 2.085 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCSCC ZINC001113941814 810098744 /nfs/dbraw/zinc/09/87/44/810098744.db2.gz BIRACKBEXYCPFD-PJXYFTJBSA-N 1 2 333.295 2.085 20 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N#Cc1ccc(O[C@H]2CC[N@@H+](Cn3cnc(-c4ccccc4)n3)C2)nc1 ZINC000793590938 810422289 /nfs/dbraw/zinc/42/22/89/810422289.db2.gz NEZUZVIMQGFAAI-KRWDZBQOSA-N 1 2 346.394 2.323 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H](C)C#N)C1 ZINC001130315246 811444264 /nfs/dbraw/zinc/44/42/64/811444264.db2.gz ORPFSWMQQJVTOJ-DOMZBBRYSA-N 1 2 348.834 2.063 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)[C@H](C)C#N)C1 ZINC001130315246 811444267 /nfs/dbraw/zinc/44/42/67/811444267.db2.gz ORPFSWMQQJVTOJ-DOMZBBRYSA-N 1 2 348.834 2.063 20 30 EEEDLO CCOC(=O)C1=C(Nc2ncc(C#N)c3ccsc32)CC[NH2+]C1 ZINC001170516279 812062428 /nfs/dbraw/zinc/06/24/28/812062428.db2.gz TZVVNPYAPYHBLJ-UHFFFAOYSA-N 1 2 328.397 2.390 20 30 EEEDLO C=CCCC(=O)N1CCC(=O)NCC[N@@H+](Cc2csc(C)c2)CC1 ZINC001131337078 812683367 /nfs/dbraw/zinc/68/33/67/812683367.db2.gz VRZJWZRRYQEEHW-UHFFFAOYSA-N 1 2 349.500 2.173 20 30 EEEDLO C=CCCC(=O)N1CCC(=O)NCC[N@H+](Cc2csc(C)c2)CC1 ZINC001131337078 812683370 /nfs/dbraw/zinc/68/33/70/812683370.db2.gz VRZJWZRRYQEEHW-UHFFFAOYSA-N 1 2 349.500 2.173 20 30 EEEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@](C)(CC)CCC)CC1 ZINC001131391474 812779645 /nfs/dbraw/zinc/77/96/45/812779645.db2.gz VOZCAOFRCBZPJS-LJQANCHMSA-N 1 2 337.508 2.429 20 30 EEEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@](C)(CC)CCC)CC1 ZINC001131391474 812779652 /nfs/dbraw/zinc/77/96/52/812779652.db2.gz VOZCAOFRCBZPJS-LJQANCHMSA-N 1 2 337.508 2.429 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](C)N(C)CC(F)(F)F ZINC001437616577 1090125717 /nfs/dbraw/zinc/12/57/17/1090125717.db2.gz LIMWGXJYZSKQNO-LLVKDONJSA-N 1 2 329.794 2.060 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](C)N(C)CC(F)(F)F ZINC001437616577 1090125722 /nfs/dbraw/zinc/12/57/22/1090125722.db2.gz LIMWGXJYZSKQNO-LLVKDONJSA-N 1 2 329.794 2.060 20 30 EEEDLO COCC1(C(=O)N(C)CC[N@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC001438899510 1091554623 /nfs/dbraw/zinc/55/46/23/1091554623.db2.gz NPSRJWUQKQMGKB-UHFFFAOYSA-N 1 2 333.407 2.014 20 30 EEEDLO COCC1(C(=O)N(C)CC[N@@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC001438899510 1091554628 /nfs/dbraw/zinc/55/46/28/1091554628.db2.gz NPSRJWUQKQMGKB-UHFFFAOYSA-N 1 2 333.407 2.014 20 30 EEEDLO C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CC(O)(CNC(=O)[C@@H](C)C#N)C1 ZINC001440037619 1093137548 /nfs/dbraw/zinc/13/75/48/1093137548.db2.gz IEECKPZTSSFVMD-LSDHHAIUSA-N 1 2 343.471 2.368 20 30 EEEDLO C=C(Cl)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C(C)(CC)CC)n1 ZINC001479613947 1098636781 /nfs/dbraw/zinc/63/67/81/1098636781.db2.gz QSWZZVLSMRXQCG-UHFFFAOYSA-N 1 2 340.855 2.467 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001494746746 1104329623 /nfs/dbraw/zinc/32/96/23/1104329623.db2.gz WSVCIFFNGOHHRS-DZGCQCFKSA-N 1 2 337.851 2.407 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001494746746 1104329634 /nfs/dbraw/zinc/32/96/34/1104329634.db2.gz WSVCIFFNGOHHRS-DZGCQCFKSA-N 1 2 337.851 2.407 20 30 EEEDLO Cc1cc(C)c(C(=O)N2CCC[C@H](N(C)C(=O)[C@@H](C)C#N)C2)c(C)[nH+]1 ZINC001454948021 1108011002 /nfs/dbraw/zinc/01/10/02/1108011002.db2.gz HLZJMJNBFUPEMZ-BBRMVZONSA-N 1 2 342.443 2.230 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)CCc1cncnc1 ZINC001479228889 1110663379 /nfs/dbraw/zinc/66/33/79/1110663379.db2.gz WLVLWGCDQYVICK-LJQANCHMSA-N 1 2 349.438 2.014 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)CCc1cncnc1 ZINC001479228889 1110663380 /nfs/dbraw/zinc/66/33/80/1110663380.db2.gz WLVLWGCDQYVICK-LJQANCHMSA-N 1 2 349.438 2.014 20 30 EEEDLO C=CCN(CC=C)c1nnc(C[NH+]2CCC(CO)CC2)n1CC1CC1 ZINC001521107607 1119213151 /nfs/dbraw/zinc/21/31/51/1119213151.db2.gz SIWMDCXNFMAXPU-UHFFFAOYSA-N 1 2 345.491 2.071 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(C)CCC=CO3)n2CC(C)C)CC1 ZINC001524978303 1120251325 /nfs/dbraw/zinc/25/13/25/1120251325.db2.gz LPHAERUIQJODCZ-LJQANCHMSA-N 1 2 343.475 2.229 20 30 EEEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 ZINC000329060139 539766117 /nfs/dbraw/zinc/76/61/17/539766117.db2.gz NHHCGBLWGYOYCM-CVEARBPZSA-N 1 2 347.415 2.089 20 30 EEEDLO C[N@H+]1CCO[C@H](CNC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 ZINC000329060139 539766121 /nfs/dbraw/zinc/76/61/21/539766121.db2.gz NHHCGBLWGYOYCM-CVEARBPZSA-N 1 2 347.415 2.089 20 30 EEEDLO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)Nc1sccc1C#N)C2 ZINC000069517864 202285147 /nfs/dbraw/zinc/28/51/47/202285147.db2.gz QWCVRRPCSNFBDJ-UHFFFAOYSA-N 1 2 343.456 2.473 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000264083695 201208372 /nfs/dbraw/zinc/20/83/72/201208372.db2.gz FGMITYLWSGUVRI-UONOGXRCSA-N 1 2 337.414 2.334 20 30 EEEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000271019872 201241609 /nfs/dbraw/zinc/24/16/09/201241609.db2.gz IWSQAZISBPFEIG-UHFFFAOYSA-N 1 2 326.849 2.060 20 30 EEEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000268847240 201228680 /nfs/dbraw/zinc/22/86/80/201228680.db2.gz AQVRVCJBHFKBBU-UHFFFAOYSA-N 1 2 344.864 2.231 20 30 EEEDLO Cn1cc(C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1C#N ZINC000191311545 239034953 /nfs/dbraw/zinc/03/49/53/239034953.db2.gz FVCMOTAHWNIOCU-UHFFFAOYSA-N 1 2 344.365 2.133 20 30 EEEDLO C#CC[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000274158909 201265868 /nfs/dbraw/zinc/26/58/68/201265868.db2.gz LYJZELFVVNBXMO-UHFFFAOYSA-N 1 2 334.341 2.271 20 30 EEEDLO C#CC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000274158909 201265871 /nfs/dbraw/zinc/26/58/71/201265871.db2.gz LYJZELFVVNBXMO-UHFFFAOYSA-N 1 2 334.341 2.271 20 30 EEEDLO C#CCOc1cccc(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000276506509 201295426 /nfs/dbraw/zinc/29/54/26/201295426.db2.gz AJPYABODLNGMGT-GOSISDBHSA-N 1 2 328.412 2.281 20 30 EEEDLO C#CCOc1cccc(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000276506509 201295428 /nfs/dbraw/zinc/29/54/28/201295428.db2.gz AJPYABODLNGMGT-GOSISDBHSA-N 1 2 328.412 2.281 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)Nc2ccnn2C(C)C)n1 ZINC000279650095 201320133 /nfs/dbraw/zinc/32/01/33/201320133.db2.gz BGQKPGLYERAQEH-OAHLLOKOSA-N 1 2 342.447 2.143 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)Nc2ccnn2C(C)C)n1 ZINC000279650095 201320137 /nfs/dbraw/zinc/32/01/37/201320137.db2.gz BGQKPGLYERAQEH-OAHLLOKOSA-N 1 2 342.447 2.143 20 30 EEEDLO Cc1cc(C)c(NC(=O)C(=O)NCc2ccc(C#N)s2)c(C)[nH+]1 ZINC000421243199 240014657 /nfs/dbraw/zinc/01/46/57/240014657.db2.gz HDLLXHJFQLQOLX-UHFFFAOYSA-N 1 2 328.397 2.195 20 30 EEEDLO CCN(C)C(=O)[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C(C)C ZINC000451317170 243076005 /nfs/dbraw/zinc/07/60/05/243076005.db2.gz VISVLQZCKKEHPS-INIZCTEOSA-N 1 2 341.415 2.201 20 30 EEEDLO N#CCc1cccc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000455910133 244107234 /nfs/dbraw/zinc/10/72/34/244107234.db2.gz TWQUWMFUWWKNPW-UHFFFAOYSA-N 1 2 335.411 2.497 20 30 EEEDLO CC#CCN(C)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000457521365 244576334 /nfs/dbraw/zinc/57/63/34/244576334.db2.gz JKHGZZWPQPTTBX-GOSISDBHSA-N 1 2 329.444 2.033 20 30 EEEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000459674987 245207315 /nfs/dbraw/zinc/20/73/15/245207315.db2.gz JBSMTHLUXZNPGM-UHFFFAOYSA-N 1 2 330.819 2.354 20 30 EEEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459674987 245207320 /nfs/dbraw/zinc/20/73/20/245207320.db2.gz JBSMTHLUXZNPGM-UHFFFAOYSA-N 1 2 330.819 2.354 20 30 EEEDLO Cc1c[nH+]ccc1NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000496515628 247564539 /nfs/dbraw/zinc/56/45/39/247564539.db2.gz AVIHRZDIBSNOQM-AWEZNQCLSA-N 1 2 332.404 2.338 20 30 EEEDLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(C#N)[nH]1 ZINC000161099960 206328512 /nfs/dbraw/zinc/32/85/12/206328512.db2.gz DRBYYYTWMQOUNW-UHFFFAOYSA-N 1 2 332.448 2.241 20 30 EEEDLO C#CCOc1ccccc1C[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000093461170 218227664 /nfs/dbraw/zinc/22/76/64/218227664.db2.gz FWOMYRCHORRZFM-UHFFFAOYSA-N 1 2 336.317 2.325 20 30 EEEDLO C#CCOc1ccccc1C[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000093461170 218227666 /nfs/dbraw/zinc/22/76/66/218227666.db2.gz FWOMYRCHORRZFM-UHFFFAOYSA-N 1 2 336.317 2.325 20 30 EEEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)Nc3cccc(C#N)c3)CC2)S1 ZINC000174366597 207016615 /nfs/dbraw/zinc/01/66/15/207016615.db2.gz YLKCTTVGQRQXCS-LBPRGKRZSA-N 1 2 329.429 2.199 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCCS3)CC2)cc1 ZINC000272975562 256253903 /nfs/dbraw/zinc/25/39/03/256253903.db2.gz PFURAOWWOYYVFX-QGZVFWFLSA-N 1 2 329.469 2.488 20 30 EEEDLO CN(Cc1cccc(C#N)c1)c1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000273168516 256272601 /nfs/dbraw/zinc/27/26/01/256272601.db2.gz LXGMPMPITQXBKU-KRWDZBQOSA-N 1 2 337.427 2.336 20 30 EEEDLO CN(Cc1cccc(C#N)c1)c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000273168516 256272603 /nfs/dbraw/zinc/27/26/03/256272603.db2.gz LXGMPMPITQXBKU-KRWDZBQOSA-N 1 2 337.427 2.336 20 30 EEEDLO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000072073616 159040048 /nfs/dbraw/zinc/04/00/48/159040048.db2.gz FYWASMKDVKNOBU-OAHLLOKOSA-N 1 2 328.460 2.374 20 30 EEEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000185839571 160049872 /nfs/dbraw/zinc/04/98/72/160049872.db2.gz YZNVYJNJMPTPLQ-CYBMUJFWSA-N 1 2 346.412 2.206 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(OC(F)F)c1 ZINC000346672417 161390702 /nfs/dbraw/zinc/39/07/02/161390702.db2.gz ULEVJKZTYHCCOV-NJZAAPMLSA-N 1 2 335.354 2.245 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(OC(F)F)c1 ZINC000346672417 161390703 /nfs/dbraw/zinc/39/07/03/161390703.db2.gz ULEVJKZTYHCCOV-NJZAAPMLSA-N 1 2 335.354 2.245 20 30 EEEDLO C[NH+](C)Cc1ccsc1C(=O)NCC(=O)c1ccc(C#N)cc1 ZINC000356181139 163359968 /nfs/dbraw/zinc/35/99/68/163359968.db2.gz NRHOHCMQLYDRRH-UHFFFAOYSA-N 1 2 327.409 2.294 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(Br)c1 ZINC000368974475 166163038 /nfs/dbraw/zinc/16/30/38/166163038.db2.gz PMDNOZWAVNZZTN-LNSITVRQSA-N 1 2 348.244 2.407 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(Br)c1 ZINC000368974475 166163040 /nfs/dbraw/zinc/16/30/40/166163040.db2.gz PMDNOZWAVNZZTN-LNSITVRQSA-N 1 2 348.244 2.407 20 30 EEEDLO Cc1cc(S(=O)(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1C#N ZINC000369371539 166247108 /nfs/dbraw/zinc/24/71/08/166247108.db2.gz WNMVHDXQMKINEN-OAHLLOKOSA-N 1 2 344.440 2.169 20 30 EEEDLO CN(C(=O)c1cc(C#N)ccc1Cl)C(C)(C)C[NH+]1CCOCC1 ZINC000414042744 267277469 /nfs/dbraw/zinc/27/74/69/267277469.db2.gz OVXRVPIAMJNQCW-UHFFFAOYSA-N 1 2 335.835 2.394 20 30 EEEDLO Cc1ncccc1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000528256746 268089232 /nfs/dbraw/zinc/08/92/32/268089232.db2.gz HTKQNTVRKMXVOP-UHFFFAOYSA-N 1 2 349.438 2.289 20 30 EEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291808788 268100733 /nfs/dbraw/zinc/10/07/33/268100733.db2.gz NISDMKCDXCCVCU-AWEZNQCLSA-N 1 2 329.791 2.294 20 30 EEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291808788 268100736 /nfs/dbraw/zinc/10/07/36/268100736.db2.gz NISDMKCDXCCVCU-AWEZNQCLSA-N 1 2 329.791 2.294 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3cccc(F)c3)C2)nc1 ZINC000292380959 268181259 /nfs/dbraw/zinc/18/12/59/268181259.db2.gz ZEEGLUUQLYNVHO-MRXNPFEDSA-N 1 2 340.358 2.184 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3cccc(F)c3)C2)nc1 ZINC000292380959 268181262 /nfs/dbraw/zinc/18/12/62/268181262.db2.gz ZEEGLUUQLYNVHO-MRXNPFEDSA-N 1 2 340.358 2.184 20 30 EEEDLO CN(C(=O)c1c(F)cc(C#N)cc1F)C(C)(C)C[NH+]1CCOCC1 ZINC000416024846 281869783 /nfs/dbraw/zinc/86/97/83/281869783.db2.gz HXKVJSLKZZDXCI-UHFFFAOYSA-N 1 2 337.370 2.019 20 30 EEEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000305194225 311571473 /nfs/dbraw/zinc/57/14/73/311571473.db2.gz YXLSPFLMOVMTHS-HNNXBMFYSA-N 1 2 341.333 2.132 20 30 EEEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(-c4cccnc4)n[nH]3)CC2)n1 ZINC000544934262 318199869 /nfs/dbraw/zinc/19/98/69/318199869.db2.gz AQWCOMSBTMSMPF-UHFFFAOYSA-N 1 2 345.410 2.061 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1C#N ZINC000565872600 319221887 /nfs/dbraw/zinc/22/18/87/319221887.db2.gz DKDPPYODTPRHAA-NJSLBKSFSA-N 1 2 344.411 2.113 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1C#N ZINC000565872600 319221889 /nfs/dbraw/zinc/22/18/89/319221889.db2.gz DKDPPYODTPRHAA-NJSLBKSFSA-N 1 2 344.411 2.113 20 30 EEEDLO COc1c(N)[nH+]cnc1NC1CCC(Oc2ncccc2C#N)CC1 ZINC000574412803 320023394 /nfs/dbraw/zinc/02/33/94/320023394.db2.gz BOLMXPHVHQETJD-UHFFFAOYSA-N 1 2 340.387 2.136 20 30 EEEDLO COc1c(N)nc[nH+]c1NC1CCC(Oc2ncccc2C#N)CC1 ZINC000574412803 320023397 /nfs/dbraw/zinc/02/33/97/320023397.db2.gz BOLMXPHVHQETJD-UHFFFAOYSA-N 1 2 340.387 2.136 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1scnc1C1CC1 ZINC000581584214 324282614 /nfs/dbraw/zinc/28/26/14/324282614.db2.gz VXOBHFQVHHQIKM-LBPRGKRZSA-N 1 2 340.456 2.393 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1scnc1C1CC1 ZINC000581584214 324282616 /nfs/dbraw/zinc/28/26/16/324282616.db2.gz VXOBHFQVHHQIKM-LBPRGKRZSA-N 1 2 340.456 2.393 20 30 EEEDLO Cc1nc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)sc1C ZINC000581938894 324344960 /nfs/dbraw/zinc/34/49/60/324344960.db2.gz ZMCODBHDDZTLLM-UHFFFAOYSA-N 1 2 335.454 2.195 20 30 EEEDLO CC[C@](C)(C#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000127015421 463676548 /nfs/dbraw/zinc/67/65/48/463676548.db2.gz BWITUQZZVMZBBL-GOSISDBHSA-N 1 2 339.399 2.334 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2C(C)C)CC1 ZINC000295968043 465036736 /nfs/dbraw/zinc/03/67/36/465036736.db2.gz IXNDWUBJKVVWGZ-UHFFFAOYSA-N 1 2 339.443 2.290 20 30 EEEDLO COc1cc(C[NH+]2CCN(CC3(C#N)CC3)CC2)cc(OC)c1OC ZINC000347482397 465048032 /nfs/dbraw/zinc/04/80/32/465048032.db2.gz PLSHMVRMQLCHJM-UHFFFAOYSA-N 1 2 345.443 2.134 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)cc1 ZINC000328708352 465106625 /nfs/dbraw/zinc/10/66/25/465106625.db2.gz MDWYUSIUPHHLFR-UHFFFAOYSA-N 1 2 349.438 2.049 20 30 EEEDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000336978495 465130437 /nfs/dbraw/zinc/13/04/37/465130437.db2.gz ZVMOKACADGXZNZ-UHFFFAOYSA-N 1 2 334.383 2.103 20 30 EEEDLO CCC[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1nnc2ccccn21 ZINC000347638684 465140598 /nfs/dbraw/zinc/14/05/98/465140598.db2.gz PEUURIRWRYHSIX-WBVHZDCISA-N 1 2 348.410 2.258 20 30 EEEDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000328841580 465143375 /nfs/dbraw/zinc/14/33/75/465143375.db2.gz ZQTVIRYJIYNNTF-KSSFIOAISA-N 1 2 343.431 2.017 20 30 EEEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](N3CCCC3=O)C2)sc1C ZINC000328875128 465153189 /nfs/dbraw/zinc/15/31/89/465153189.db2.gz JPRJHPMMMJCMNY-AAEUAGOBSA-N 1 2 336.461 2.433 20 30 EEEDLO Cc1nc(NC(=O)[C@H](C)[N@H+]2CC[C@H](N3CCCC3=O)C2)sc1C ZINC000328875128 465153197 /nfs/dbraw/zinc/15/31/97/465153197.db2.gz JPRJHPMMMJCMNY-AAEUAGOBSA-N 1 2 336.461 2.433 20 30 EEEDLO CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000328952621 465178735 /nfs/dbraw/zinc/17/87/35/465178735.db2.gz MASLRZOLSLSGBY-ZIAGYGMSSA-N 1 2 332.448 2.439 20 30 EEEDLO CCc1n[nH]c(=O)c(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)c1CC ZINC000328960392 465184255 /nfs/dbraw/zinc/18/42/55/465184255.db2.gz QISJDHDOJNPPGE-NSHDSACASA-N 1 2 329.404 2.223 20 30 EEEDLO COCCC(=O)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000355090739 465223107 /nfs/dbraw/zinc/22/31/07/465223107.db2.gz VFTQLLIPGHWSIF-UHFFFAOYSA-N 1 2 345.443 2.050 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)C1=O ZINC000337174962 465228184 /nfs/dbraw/zinc/22/81/84/465228184.db2.gz HMYBJLHLGCFYNU-LNLFQRSKSA-N 1 2 327.472 2.368 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)C1=O ZINC000337174962 465228188 /nfs/dbraw/zinc/22/81/88/465228188.db2.gz HMYBJLHLGCFYNU-LNLFQRSKSA-N 1 2 327.472 2.368 20 30 EEEDLO C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000329116502 465238721 /nfs/dbraw/zinc/23/87/21/465238721.db2.gz NKMAQYVWKRRUQO-AAEUAGOBSA-N 1 2 330.388 2.413 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2c(F)cccc2F)C1=O ZINC000337229523 465255167 /nfs/dbraw/zinc/25/51/67/465255167.db2.gz RXVZXUIXTXMJPB-RISCZKNCSA-N 1 2 337.370 2.011 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2c(F)cccc2F)C1=O ZINC000337229523 465255171 /nfs/dbraw/zinc/25/51/71/465255171.db2.gz RXVZXUIXTXMJPB-RISCZKNCSA-N 1 2 337.370 2.011 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(F)cc1C#N)C(C)(C)CO ZINC000297317907 465252965 /nfs/dbraw/zinc/25/29/65/465252965.db2.gz CARPNACASDQHFU-CQSZACIVSA-N 1 2 345.378 2.312 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](CC)C(=O)Nc2ccc(OC)cc2)C1=O ZINC000337232039 465257806 /nfs/dbraw/zinc/25/78/06/465257806.db2.gz VCJFFXVYSCNKAQ-IRXDYDNUSA-N 1 2 345.443 2.131 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](CC)C(=O)Nc2ccc(OC)cc2)C1=O ZINC000337232039 465257809 /nfs/dbraw/zinc/25/78/09/465257809.db2.gz VCJFFXVYSCNKAQ-IRXDYDNUSA-N 1 2 345.443 2.131 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@H](C)C(=O)Nc2ccccc2OC)CC1 ZINC000341986640 465280551 /nfs/dbraw/zinc/28/05/51/465280551.db2.gz ZRNFHCCAUQUIIQ-CQSZACIVSA-N 1 2 331.416 2.274 20 30 EEEDLO CCCC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(C#N)(COC)CC1 ZINC000341992283 465282136 /nfs/dbraw/zinc/28/21/36/465282136.db2.gz PIOIUJDEFATFJV-OAHLLOKOSA-N 1 2 348.447 2.733 20 30 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/nfs/dbraw/zinc/29/10/76/468291076.db2.gz BQENZBJFDMCVPL-OAHLLOKOSA-N 1 2 344.415 2.026 20 30 EEEDLO CC(C)(C)OC(=O)N1CC([N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000496503523 468291078 /nfs/dbraw/zinc/29/10/78/468291078.db2.gz BQENZBJFDMCVPL-OAHLLOKOSA-N 1 2 344.415 2.026 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccccc2)CC1 ZINC000491103410 468301881 /nfs/dbraw/zinc/30/18/81/468301881.db2.gz OWMHEPSMRBUCAW-UHFFFAOYSA-N 1 2 346.438 2.077 20 30 EEEDLO Cc1n[nH]c(C)c1[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329722408 465416264 /nfs/dbraw/zinc/41/62/64/465416264.db2.gz NJKHMUXNYVJAPG-DOMZBBRYSA-N 1 2 328.420 2.358 20 30 EEEDLO Cc1n[nH]c(C)c1[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329722408 465416268 /nfs/dbraw/zinc/41/62/68/465416268.db2.gz NJKHMUXNYVJAPG-DOMZBBRYSA-N 1 2 328.420 2.358 20 30 EEEDLO C=CCNC(=O)[C@H](C)[NH+]1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000112997958 462563079 /nfs/dbraw/zinc/56/30/79/462563079.db2.gz 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ZINC000077038907 462937169 /nfs/dbraw/zinc/93/71/69/462937169.db2.gz RPICIMNMSWJUMZ-UHFFFAOYSA-N 1 2 333.457 2.432 20 30 EEEDLO C[C@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000133780367 462969971 /nfs/dbraw/zinc/96/99/71/462969971.db2.gz GKRGXRHFSSFVAQ-XKGZKEIXSA-N 1 2 341.455 2.476 20 30 EEEDLO C[C@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000133780367 462969974 /nfs/dbraw/zinc/96/99/74/462969974.db2.gz GKRGXRHFSSFVAQ-XKGZKEIXSA-N 1 2 341.455 2.476 20 30 EEEDLO COc1cc(C#N)ccc1CN1CC[NH+](Cc2cc(C)no2)CC1 ZINC000120467088 463002540 /nfs/dbraw/zinc/00/25/40/463002540.db2.gz JNZSZFSEVGBKCO-UHFFFAOYSA-N 1 2 326.400 2.181 20 30 EEEDLO COc1cc(C#N)ccc1C[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000120467088 463002544 /nfs/dbraw/zinc/00/25/44/463002544.db2.gz JNZSZFSEVGBKCO-UHFFFAOYSA-N 1 2 326.400 2.181 20 30 EEEDLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000093685919 463044350 /nfs/dbraw/zinc/04/43/50/463044350.db2.gz RRFVHXSTZUECLP-UHFFFAOYSA-N 1 2 349.481 2.339 20 30 EEEDLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000093685919 463044354 /nfs/dbraw/zinc/04/43/54/463044354.db2.gz RRFVHXSTZUECLP-UHFFFAOYSA-N 1 2 349.481 2.339 20 30 EEEDLO C=C(Br)CN1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000052440530 463079041 /nfs/dbraw/zinc/07/90/41/463079041.db2.gz BLBYMJRFLMWAKH-UHFFFAOYSA-N 1 2 335.249 2.361 20 30 EEEDLO CSc1ccccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000078456147 463118004 /nfs/dbraw/zinc/11/80/04/463118004.db2.gz ZPBBWVDUEMEUOO-UHFFFAOYSA-N 1 2 348.472 2.488 20 30 EEEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000135214843 463130238 /nfs/dbraw/zinc/13/02/38/463130238.db2.gz IYGDMUOEJDURFK-HNNXBMFYSA-N 1 2 340.876 2.094 20 30 EEEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000135214843 463130245 /nfs/dbraw/zinc/13/02/45/463130245.db2.gz IYGDMUOEJDURFK-HNNXBMFYSA-N 1 2 340.876 2.094 20 30 EEEDLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000139096707 463317253 /nfs/dbraw/zinc/31/72/53/463317253.db2.gz NOJKEHGCIQMZMP-ZIAGYGMSSA-N 1 2 347.440 2.000 20 30 EEEDLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000139096707 463317258 /nfs/dbraw/zinc/31/72/58/463317258.db2.gz NOJKEHGCIQMZMP-ZIAGYGMSSA-N 1 2 347.440 2.000 20 30 EEEDLO Cc1ccccc1N1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000123197086 463323293 /nfs/dbraw/zinc/32/32/93/463323293.db2.gz IZIISNRZNHUUFC-UHFFFAOYSA-N 1 2 340.471 2.460 20 30 EEEDLO COc1ccc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)c(OC)c1 ZINC000032832157 463397475 /nfs/dbraw/zinc/39/74/75/463397475.db2.gz XIHCUZJXMBEKHC-SFHVURJKSA-N 1 2 333.432 2.190 20 30 EEEDLO COc1ccc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)c(OC)c1 ZINC000032832157 463397478 /nfs/dbraw/zinc/39/74/78/463397478.db2.gz XIHCUZJXMBEKHC-SFHVURJKSA-N 1 2 333.432 2.190 20 30 EEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000491453140 468359102 /nfs/dbraw/zinc/35/91/02/468359102.db2.gz POVKBWOLYZHHDB-CQSZACIVSA-N 1 2 325.412 2.238 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000491453140 468359105 /nfs/dbraw/zinc/35/91/05/468359105.db2.gz POVKBWOLYZHHDB-CQSZACIVSA-N 1 2 325.412 2.238 20 30 EEEDLO Cc1oc(NC(=O)C[N@H+](C)CCC(=O)OC(C)(C)C)c(C#N)c1C ZINC000150868295 463443282 /nfs/dbraw/zinc/44/32/82/463443282.db2.gz ZXDFTEVIYYOLQQ-UHFFFAOYSA-N 1 2 335.404 2.370 20 30 EEEDLO Cc1oc(NC(=O)C[N@@H+](C)CCC(=O)OC(C)(C)C)c(C#N)c1C ZINC000150868295 463443287 /nfs/dbraw/zinc/44/32/87/463443287.db2.gz ZXDFTEVIYYOLQQ-UHFFFAOYSA-N 1 2 335.404 2.370 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)NCCC2CCCCC2)cs1 ZINC000151275465 463505247 /nfs/dbraw/zinc/50/52/47/463505247.db2.gz GYGRNBLLQNNNBG-UHFFFAOYSA-N 1 2 338.477 2.369 20 30 EEEDLO CCC[N@H+](CC(=O)Nc1ccccc1SCC#N)CC(=O)N(C)C ZINC000072579821 463522759 /nfs/dbraw/zinc/52/27/59/463522759.db2.gz LYYAZEZTHOPIJB-UHFFFAOYSA-N 1 2 348.472 2.041 20 30 EEEDLO CCC[N@@H+](CC(=O)Nc1ccccc1SCC#N)CC(=O)N(C)C ZINC000072579821 463522765 /nfs/dbraw/zinc/52/27/65/463522765.db2.gz 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CCCCCCCCNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000283173572 463792139 /nfs/dbraw/zinc/79/21/39/463792139.db2.gz DLBBKWAVQSDZMD-UHFFFAOYSA-N 1 2 344.459 2.470 20 30 EEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O)c1C ZINC000185409512 463816768 /nfs/dbraw/zinc/81/67/68/463816768.db2.gz JQAGGWAREJLTSZ-OWJWWREXSA-N 1 2 349.500 2.249 20 30 EEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O)c1C ZINC000185409512 463816773 /nfs/dbraw/zinc/81/67/73/463816773.db2.gz JQAGGWAREJLTSZ-OWJWWREXSA-N 1 2 349.500 2.249 20 30 EEEDLO CN1C(=O)C[C@H]([NH2+]C[C@H](C#N)CCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000568733094 468379807 /nfs/dbraw/zinc/37/98/07/468379807.db2.gz OPWZUQUPDPSXLK-XNJJOIOASA-N 1 2 332.354 2.270 20 30 EEEDLO N#CC[C@@H](O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000287264855 463851515 /nfs/dbraw/zinc/85/15/15/463851515.db2.gz QMZYBAFXTAHDSH-OAHLLOKOSA-N 1 2 343.456 2.230 20 30 EEEDLO N#CCC1CC[NH+]([C@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)CC1 ZINC000541924984 468382484 /nfs/dbraw/zinc/38/24/84/468382484.db2.gz OJOYOZIOADJDET-HNNXBMFYSA-N 1 2 333.338 2.222 20 30 EEEDLO C=CCOc1ccccc1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287425823 463895884 /nfs/dbraw/zinc/89/58/84/463895884.db2.gz QKTYYCIFMCATDY-HOTGVXAUSA-N 1 2 330.428 2.187 20 30 EEEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000287665565 463962476 /nfs/dbraw/zinc/96/24/76/463962476.db2.gz XFYGUVGLZWXUOZ-UHFFFAOYSA-N 1 2 336.399 2.319 20 30 EEEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000178804339 463978939 /nfs/dbraw/zinc/97/89/39/463978939.db2.gz LVAVMBJOVXQAFR-XMMPIXPASA-N 1 2 341.436 2.366 20 30 EEEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000178804339 463978943 /nfs/dbraw/zinc/97/89/43/463978943.db2.gz LVAVMBJOVXQAFR-XMMPIXPASA-N 1 2 341.436 2.366 20 30 EEEDLO CC(C)(C)[C@H](NC(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1cccs1 ZINC000283758894 463999068 /nfs/dbraw/zinc/99/90/68/463999068.db2.gz ATLYZIGFYYFRMC-BXUZGUMPSA-N 1 2 339.461 2.419 20 30 EEEDLO C#CCCOc1ccc(C[NH+]2CCC(S(=O)(=O)CC)CC2)cc1 ZINC000195163427 464008613 /nfs/dbraw/zinc/00/86/13/464008613.db2.gz NHDJZNGNVMQMKO-UHFFFAOYSA-N 1 2 335.469 2.488 20 30 EEEDLO CC[C@@H](NC(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000283920338 464043103 /nfs/dbraw/zinc/04/31/03/464043103.db2.gz DTHVLAZMMKNSNV-ZIAGYGMSSA-N 1 2 339.823 2.375 20 30 EEEDLO CSC[C@@](C)(C#N)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000289856082 464097726 /nfs/dbraw/zinc/09/77/26/464097726.db2.gz GBFIHQSBLKWLIB-OAHLLOKOSA-N 1 2 338.383 2.384 20 30 EEEDLO C[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000279636991 464118457 /nfs/dbraw/zinc/11/84/57/464118457.db2.gz AFMSIGYFQALCDC-CABCVRRESA-N 1 2 329.444 2.327 20 30 EEEDLO C=C(C)[C@H](CC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1)OCC ZINC000270024668 464162926 /nfs/dbraw/zinc/16/29/26/464162926.db2.gz JZKQPSGZHAPBEB-WBVHZDCISA-N 1 2 347.459 2.294 20 30 EEEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3ccc(C#N)o3)CC2)c1 ZINC000179637840 464166107 /nfs/dbraw/zinc/16/61/07/464166107.db2.gz CVOVUSHFZRBQST-UHFFFAOYSA-N 1 2 341.411 2.486 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000280715905 464239324 /nfs/dbraw/zinc/23/93/24/464239324.db2.gz IIBDBXJYAZOISH-RKVPGOIHSA-N 1 2 332.448 2.221 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000280715905 464239329 /nfs/dbraw/zinc/23/93/29/464239329.db2.gz IIBDBXJYAZOISH-RKVPGOIHSA-N 1 2 332.448 2.221 20 30 EEEDLO COC(=O)c1cc(C[N@H+](CCC#N)CC2CC2)cc(C(=O)OC)c1 ZINC000271042602 464276376 /nfs/dbraw/zinc/27/63/76/464276376.db2.gz NERZJDVWBZBXET-UHFFFAOYSA-N 1 2 330.384 2.385 20 30 EEEDLO COC(=O)c1cc(C[N@@H+](CCC#N)CC2CC2)cc(C(=O)OC)c1 ZINC000271042602 464276383 /nfs/dbraw/zinc/27/63/83/464276383.db2.gz NERZJDVWBZBXET-UHFFFAOYSA-N 1 2 330.384 2.385 20 30 EEEDLO Cc1cccc(N2CCC(NC(=O)c3ccc(C#N)c(O)c3)CC2)[nH+]1 ZINC000188515794 464301972 /nfs/dbraw/zinc/30/19/72/464301972.db2.gz MNJOYOILZKMMKT-UHFFFAOYSA-N 1 2 336.395 2.366 20 30 EEEDLO C[C@H](c1cccc(NC(=O)N2CC(C)(C#N)C2)c1)[NH+]1CCOCC1 ZINC000284877656 464377790 /nfs/dbraw/zinc/37/77/90/464377790.db2.gz QJNWBKMDDYUNIZ-CQSZACIVSA-N 1 2 328.416 2.457 20 30 EEEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cc(C#N)cc(N(C)C)c3)n2)C1 ZINC000293138129 464389029 /nfs/dbraw/zinc/38/90/29/464389029.db2.gz JOOAUHXETWDEDE-INIZCTEOSA-N 1 2 341.415 2.456 20 30 EEEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cc(C#N)cc(N(C)C)c3)n2)C1 ZINC000293138129 464389031 /nfs/dbraw/zinc/38/90/31/464389031.db2.gz JOOAUHXETWDEDE-INIZCTEOSA-N 1 2 341.415 2.456 20 30 EEEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000591071412 468402772 /nfs/dbraw/zinc/40/27/72/468402772.db2.gz USTPVRACGUYACP-FGTMMUONSA-N 1 2 332.407 2.452 20 30 EEEDLO COc1ccc(C(=O)N2CC[NH+](CCC(C)(C)C#N)CC2)cc1OC ZINC000272065541 464466277 /nfs/dbraw/zinc/46/62/77/464466277.db2.gz XSGYIHYEZADOFC-UHFFFAOYSA-N 1 2 345.443 2.401 20 30 EEEDLO C[C@H](N1CC[NH+](CCOCC(F)(F)C(F)F)CC1)C(F)(F)F ZINC000189509543 464522873 /nfs/dbraw/zinc/52/28/73/464522873.db2.gz NMUVPINECJDVGD-VIFPVBQESA-N 1 2 340.283 2.472 20 30 EEEDLO N#CCCCS(=O)(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000181718309 464523845 /nfs/dbraw/zinc/52/38/45/464523845.db2.gz LILBRYYPYXXUFB-UHFFFAOYSA-N 1 2 346.456 2.239 20 30 EEEDLO C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000190098098 464596707 /nfs/dbraw/zinc/59/67/07/464596707.db2.gz VBLMOSACCNRAOY-LBPRGKRZSA-N 1 2 339.399 2.120 20 30 EEEDLO N#Cc1cccc(CNC(=O)c2ccccc2C[NH+]2CCOCC2)c1 ZINC000265775268 464681651 /nfs/dbraw/zinc/68/16/51/464681651.db2.gz FNCURURPGRDMEF-UHFFFAOYSA-N 1 2 335.407 2.320 20 30 EEEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3cccc(C#N)c3)CC2)S1 ZINC000265778638 464683420 /nfs/dbraw/zinc/68/34/20/464683420.db2.gz QDCGJWOUFJIHOK-UHFFFAOYSA-N 1 2 328.441 2.197 20 30 EEEDLO Cc1ccnc(OC2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000272888687 464693533 /nfs/dbraw/zinc/69/35/33/464693533.db2.gz DLDDJJZXZVDCHW-LJQANCHMSA-N 1 2 344.459 2.288 20 30 EEEDLO C#CC[N@@H+](CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)C1CC1 ZINC000274200319 464736760 /nfs/dbraw/zinc/73/67/60/464736760.db2.gz RMWSWZCNJVCGEU-HOTGVXAUSA-N 1 2 341.455 2.336 20 30 EEEDLO C#CC[N@H+](CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)C1CC1 ZINC000274200319 464736766 /nfs/dbraw/zinc/73/67/66/464736766.db2.gz RMWSWZCNJVCGEU-HOTGVXAUSA-N 1 2 341.455 2.336 20 30 EEEDLO Cc1ccccc1CN(C)C(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000266186427 464767542 /nfs/dbraw/zinc/76/75/42/464767542.db2.gz HIVMAJHDMZJTMQ-HNNXBMFYSA-N 1 2 335.448 2.303 20 30 EEEDLO C#CCCOc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000295285477 464774521 /nfs/dbraw/zinc/77/45/21/464774521.db2.gz JFCWJCGKKJQLII-QGZVFWFLSA-N 1 2 335.407 2.492 20 30 EEEDLO Cn1cc([C@@H]2CSCC[N@@H+]2CCOc2ccccc2C#N)cn1 ZINC000191205150 464797910 /nfs/dbraw/zinc/79/79/10/464797910.db2.gz DFGGACCOSXRXOQ-INIZCTEOSA-N 1 2 328.441 2.461 20 30 EEEDLO Cn1cc([C@@H]2CSCC[N@H+]2CCOc2ccccc2C#N)cn1 ZINC000191205150 464797914 /nfs/dbraw/zinc/79/79/14/464797914.db2.gz DFGGACCOSXRXOQ-INIZCTEOSA-N 1 2 328.441 2.461 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2cccc(C#N)c2)CC1(C)C ZINC000295366770 464804658 /nfs/dbraw/zinc/80/46/58/464804658.db2.gz SIGMMWUOBDGQSP-CQSZACIVSA-N 1 2 330.413 2.064 20 30 EEEDLO O=C(C[N@H+]1CCSC[C@@H]1CCO)Nc1nc2c(s1)CCC2 ZINC000329969283 465491151 /nfs/dbraw/zinc/49/11/51/465491151.db2.gz WMQYWKWNHCZDFE-JTQLQIEISA-N 1 2 327.475 2.020 20 30 EEEDLO O=C(C[N@@H+]1CCSC[C@@H]1CCO)Nc1nc2c(s1)CCC2 ZINC000329969283 465491155 /nfs/dbraw/zinc/49/11/55/465491155.db2.gz WMQYWKWNHCZDFE-JTQLQIEISA-N 1 2 327.475 2.020 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000249736196 464910233 /nfs/dbraw/zinc/91/02/33/464910233.db2.gz DZXOEZVXTITBOE-SOLBZPMBSA-N 1 2 329.444 2.457 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000249736196 464910239 /nfs/dbraw/zinc/91/02/39/464910239.db2.gz DZXOEZVXTITBOE-SOLBZPMBSA-N 1 2 329.444 2.457 20 30 EEEDLO COc1cc(C[N@H+](C)CC(=O)Nc2sccc2C#N)ccc1O ZINC000177052899 464917034 /nfs/dbraw/zinc/91/70/34/464917034.db2.gz BQFGXCCBHKZELI-UHFFFAOYSA-N 1 2 331.397 2.404 20 30 EEEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2sccc2C#N)ccc1O ZINC000177052899 464917041 /nfs/dbraw/zinc/91/70/41/464917041.db2.gz BQFGXCCBHKZELI-UHFFFAOYSA-N 1 2 331.397 2.404 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)Cn1ccccc1=O)C2 ZINC000329393672 465319942 /nfs/dbraw/zinc/31/99/42/465319942.db2.gz UVEHTZMIVGZFNL-CYBMUJFWSA-N 1 2 328.416 2.314 20 30 EEEDLO Cc1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)nn1-c1cccc(C#N)c1 ZINC000356357496 465335652 /nfs/dbraw/zinc/33/56/52/465335652.db2.gz YPZFUIIKEZMSCY-CYBMUJFWSA-N 1 2 334.383 2.067 20 30 EEEDLO C[C@H](C[C@H]1CCCO1)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000329876246 465459934 /nfs/dbraw/zinc/45/99/34/465459934.db2.gz HRSPDBDYDUHLNI-HZPDHXFCSA-N 1 2 332.448 2.118 20 30 EEEDLO COCC1(C#N)CCN(c2cc(N3CCC[C@H](C)C3)nc[nH+]2)CC1 ZINC000343136065 465478107 /nfs/dbraw/zinc/47/81/07/465478107.db2.gz AFLBBNBOVYCDIH-HNNXBMFYSA-N 1 2 329.448 2.469 20 30 EEEDLO COCC1(C#N)CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC1 ZINC000343136065 465478114 /nfs/dbraw/zinc/47/81/14/465478114.db2.gz AFLBBNBOVYCDIH-HNNXBMFYSA-N 1 2 329.448 2.469 20 30 EEEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@H]1C1CCOCC1 ZINC000329932439 465478178 /nfs/dbraw/zinc/47/81/78/465478178.db2.gz AZZBASOAHIRGBG-HOCLYGCPSA-N 1 2 332.448 2.251 20 30 EEEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)CCCC#N)CC2)c1 ZINC000359853083 465496117 /nfs/dbraw/zinc/49/61/17/465496117.db2.gz ZDYQHDNKYADGCH-UHFFFAOYSA-N 1 2 331.416 2.042 20 30 EEEDLO C=CCCCCNC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000343650807 465540005 /nfs/dbraw/zinc/54/00/05/465540005.db2.gz CBVPVYHCHOMGMR-QAPCUYQASA-N 1 2 344.459 2.335 20 30 EEEDLO Cc1cccc(N2CCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000330191175 465563207 /nfs/dbraw/zinc/56/32/07/465563207.db2.gz MWMNIPOKHZENCA-INIZCTEOSA-N 1 2 339.443 2.243 20 30 EEEDLO Cc1cccc(N2CCN(C(=O)N[C@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000330191175 465563211 /nfs/dbraw/zinc/56/32/11/465563211.db2.gz MWMNIPOKHZENCA-INIZCTEOSA-N 1 2 339.443 2.243 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000330205198 465568766 /nfs/dbraw/zinc/56/87/66/465568766.db2.gz CFPMYSJSRWEBJX-HZPDHXFCSA-N 1 2 331.416 2.356 20 30 EEEDLO CC[NH+]1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 ZINC000339877866 465571384 /nfs/dbraw/zinc/57/13/84/465571384.db2.gz FKDWTWDJJVAYTL-UHFFFAOYSA-N 1 2 348.472 2.020 20 30 EEEDLO N#Cc1ccc(CNc2cccc(C[N@@H+]3CCNC(=O)C3)c2)s1 ZINC000361015883 465706499 /nfs/dbraw/zinc/70/64/99/465706499.db2.gz DPTDKSDOEDYSDS-UHFFFAOYSA-N 1 2 326.425 2.164 20 30 EEEDLO N#Cc1ccc(CNc2cccc(C[N@H+]3CCNC(=O)C3)c2)s1 ZINC000361015883 465706500 /nfs/dbraw/zinc/70/65/00/465706500.db2.gz DPTDKSDOEDYSDS-UHFFFAOYSA-N 1 2 326.425 2.164 20 30 EEEDLO Cc1nc(NCc2cccc(C(=O)N(C)CC(C)(C)C#N)c2)cc[nH+]1 ZINC000353283128 465769197 /nfs/dbraw/zinc/76/91/97/465769197.db2.gz DGPIYKJGQVHAAV-UHFFFAOYSA-N 1 2 337.427 3.019 20 30 EEEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H]1C ZINC000345541320 465875473 /nfs/dbraw/zinc/87/54/73/465875473.db2.gz MAVMLJUAUNITNT-NEPJUHHUSA-N 1 2 341.864 2.315 20 30 EEEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H]1C ZINC000345541320 465875480 /nfs/dbraw/zinc/87/54/80/465875480.db2.gz MAVMLJUAUNITNT-NEPJUHHUSA-N 1 2 341.864 2.315 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1cc(Cl)ccc1Cl ZINC000580267258 468473991 /nfs/dbraw/zinc/47/39/91/468473991.db2.gz WTLCITDVZUJMFB-CQSZACIVSA-N 1 2 330.215 2.332 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000353942854 466271238 /nfs/dbraw/zinc/27/12/38/466271238.db2.gz SUFXTWQQNWMTDF-UHFFFAOYSA-N 1 2 339.380 2.248 20 30 EEEDLO COc1cccc(CN(C)C(=O)C[N@H+](CCC#N)CC2CC2)c1OC ZINC000357904515 466305404 /nfs/dbraw/zinc/30/54/04/466305404.db2.gz HDVAYVDLCTYPJX-UHFFFAOYSA-N 1 2 345.443 2.288 20 30 EEEDLO COc1cccc(CN(C)C(=O)C[N@@H+](CCC#N)CC2CC2)c1OC ZINC000357904515 466305411 /nfs/dbraw/zinc/30/54/11/466305411.db2.gz HDVAYVDLCTYPJX-UHFFFAOYSA-N 1 2 345.443 2.288 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(F)cc1Br ZINC000581047188 468487186 /nfs/dbraw/zinc/48/71/86/468487186.db2.gz PAEXARDBMLJZMN-CYBMUJFWSA-N 1 2 328.185 2.162 20 30 EEEDLO C=C(C)Cn1c(COCC)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000338785462 466377698 /nfs/dbraw/zinc/37/76/98/466377698.db2.gz BYFTZUGOYWRBMC-UHFFFAOYSA-N 1 2 345.447 2.306 20 30 EEEDLO O=C(NCC#Cc1ccccc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347183862 466459291 /nfs/dbraw/zinc/45/92/91/466459291.db2.gz LVQOFHNVBVKBKP-UHFFFAOYSA-N 1 2 334.419 2.300 20 30 EEEDLO C[N@@H+]1CCc2nc(NC(=O)Cc3c(F)cccc3C#N)sc2C1 ZINC000350679899 466575939 /nfs/dbraw/zinc/57/59/39/466575939.db2.gz ARHSBEOTKNQKEF-UHFFFAOYSA-N 1 2 330.388 2.323 20 30 EEEDLO C[N@H+]1CCc2nc(NC(=O)Cc3c(F)cccc3C#N)sc2C1 ZINC000350679899 466575943 /nfs/dbraw/zinc/57/59/43/466575943.db2.gz ARHSBEOTKNQKEF-UHFFFAOYSA-N 1 2 330.388 2.323 20 30 EEEDLO Cc1oc(NC(=O)CN(C)Cc2cn3c([nH+]2)CCCC3)c(C#N)c1C ZINC000372988597 466655470 /nfs/dbraw/zinc/65/54/70/466655470.db2.gz DOXDKWXWUKURMS-UHFFFAOYSA-N 1 2 341.415 2.371 20 30 EEEDLO C=CCC[C@H](C(=O)N1CCC[N@@H+](CC(=O)NC)CC1)c1ccccc1 ZINC000375289558 466833443 /nfs/dbraw/zinc/83/34/43/466833443.db2.gz SIMVBRRWUCGBNB-SFHVURJKSA-N 1 2 343.471 2.017 20 30 EEEDLO C=CCC[C@H](C(=O)N1CCC[N@H+](CC(=O)NC)CC1)c1ccccc1 ZINC000375289558 466833448 /nfs/dbraw/zinc/83/34/48/466833448.db2.gz SIMVBRRWUCGBNB-SFHVURJKSA-N 1 2 343.471 2.017 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000376199218 466897489 /nfs/dbraw/zinc/89/74/89/466897489.db2.gz MIFMWMKDXLLDDG-HNNXBMFYSA-N 1 2 337.464 2.106 20 30 EEEDLO Cc1nc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)sc1SCC#N ZINC000373733038 466902960 /nfs/dbraw/zinc/90/29/60/466902960.db2.gz JKNSSHQZIPYQMD-JTQLQIEISA-N 1 2 333.442 2.465 20 30 EEEDLO COc1ccnc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)n1 ZINC000424189570 466999713 /nfs/dbraw/zinc/99/97/13/466999713.db2.gz MNIPTEAVWUADQD-UHFFFAOYSA-N 1 2 342.399 2.466 20 30 EEEDLO Cc1ccc(C)c(NC(=O)C[NH+]2CCN(c3ccc(C#N)nc3)CC2)c1 ZINC000366152187 467073085 /nfs/dbraw/zinc/07/30/85/467073085.db2.gz QNNIXUGMCVZBIN-UHFFFAOYSA-N 1 2 349.438 2.331 20 30 EEEDLO C=CCCn1cc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)nn1 ZINC000424629714 467078785 /nfs/dbraw/zinc/07/87/85/467078785.db2.gz RIPHVABZJJBTFT-UHFFFAOYSA-N 1 2 329.404 2.147 20 30 EEEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000425444582 467093986 /nfs/dbraw/zinc/09/39/86/467093986.db2.gz CBFSTCVTKAXJFH-ARFHVFGLSA-N 1 2 344.459 2.370 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000425479040 467097047 /nfs/dbraw/zinc/09/70/47/467097047.db2.gz CXNQJJHITGDHHF-RYUDHWBXSA-N 1 2 337.445 2.169 20 30 EEEDLO CO[C@@H]1C[C@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C12CCC2 ZINC000451858854 467275483 /nfs/dbraw/zinc/27/54/83/467275483.db2.gz VTUGQMWAYUZDAW-DLBZAZTESA-N 1 2 348.468 2.221 20 30 EEEDLO CO[C@@H]1C[C@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C12CCC2 ZINC000451858854 467275488 /nfs/dbraw/zinc/27/54/88/467275488.db2.gz VTUGQMWAYUZDAW-DLBZAZTESA-N 1 2 348.468 2.221 20 30 EEEDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000451930506 467286041 /nfs/dbraw/zinc/28/60/41/467286041.db2.gz JKFONMYDGFQZCT-GFCCVEGCSA-N 1 2 341.864 2.316 20 30 EEEDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000451930506 467286042 /nfs/dbraw/zinc/28/60/42/467286042.db2.gz JKFONMYDGFQZCT-GFCCVEGCSA-N 1 2 341.864 2.316 20 30 EEEDLO N#Cc1ccc(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)c(Cl)c1 ZINC000439445111 467567321 /nfs/dbraw/zinc/56/73/21/467567321.db2.gz VXTHGVVFRPVEBQ-LBPRGKRZSA-N 1 2 336.741 2.319 20 30 EEEDLO N#Cc1ccc(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)c(Cl)c1 ZINC000439445111 467567323 /nfs/dbraw/zinc/56/73/23/467567323.db2.gz VXTHGVVFRPVEBQ-LBPRGKRZSA-N 1 2 336.741 2.319 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C\c3cncc(O)c3)CC2)cc1 ZINC000492471990 467646969 /nfs/dbraw/zinc/64/69/69/467646969.db2.gz JBJVZBOAIQULBH-WAYWQWQTSA-N 1 2 348.406 2.016 20 30 EEEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1nc(-c2cccc(F)c2)no1 ZINC000527127522 467655005 /nfs/dbraw/zinc/65/50/05/467655005.db2.gz NOOHWHQQQJFLPE-LLVKDONJSA-N 1 2 343.362 2.089 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000527299104 467659029 /nfs/dbraw/zinc/65/90/29/467659029.db2.gz STVKHFCAVCAMKT-FUHWJXTLSA-N 1 2 341.455 2.271 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000527299104 467659033 /nfs/dbraw/zinc/65/90/33/467659033.db2.gz STVKHFCAVCAMKT-FUHWJXTLSA-N 1 2 341.455 2.271 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)/C=C\c2cccc(C#N)c2)CCO1 ZINC000492671748 467709241 /nfs/dbraw/zinc/70/92/41/467709241.db2.gz NKOSQUIDBAFQNR-ROEZOGTPSA-N 1 2 336.395 2.341 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ncc(C#N)cn3)C[C@@H]2C1 ZINC000496756227 467711896 /nfs/dbraw/zinc/71/18/96/467711896.db2.gz IOXGLAMDXVLKBW-LSDHHAIUSA-N 1 2 343.431 2.037 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3ncc(C#N)cn3)C[C@@H]2C1 ZINC000496756227 467711902 /nfs/dbraw/zinc/71/19/02/467711902.db2.gz IOXGLAMDXVLKBW-LSDHHAIUSA-N 1 2 343.431 2.037 20 30 EEEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ncc(C#N)cn2)C1 ZINC000496789805 467715945 /nfs/dbraw/zinc/71/59/45/467715945.db2.gz HHPXKTDTEHADQI-UKRRQHHQSA-N 1 2 345.447 2.473 20 30 EEEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ncc(C#N)cn2)C1 ZINC000496789805 467715948 /nfs/dbraw/zinc/71/59/48/467715948.db2.gz HHPXKTDTEHADQI-UKRRQHHQSA-N 1 2 345.447 2.473 20 30 EEEDLO C=C(C)CCNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000458361341 467815454 /nfs/dbraw/zinc/81/54/54/467815454.db2.gz GXDMVXROUUPZSY-SFHVURJKSA-N 1 2 331.460 2.195 20 30 EEEDLO CN(CC(C)(C)C#N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000457440667 467823565 /nfs/dbraw/zinc/82/35/65/467823565.db2.gz COAVHUHTHVZLGH-KRWDZBQOSA-N 1 2 344.459 2.079 20 30 EEEDLO CN(CC(C)(C)C#N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000457440667 467823570 /nfs/dbraw/zinc/82/35/70/467823570.db2.gz COAVHUHTHVZLGH-KRWDZBQOSA-N 1 2 344.459 2.079 20 30 EEEDLO C=CCOc1ccc(/C=C/C(=O)NCCc2cn(C)c[nH+]2)cc1OC ZINC000493363424 467896109 /nfs/dbraw/zinc/89/61/09/467896109.db2.gz CEKOPYNJUHSNJZ-SOFGYWHQSA-N 1 2 341.411 2.366 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)c1 ZINC000505637668 467939682 /nfs/dbraw/zinc/93/96/82/467939682.db2.gz SACUSCSTGYWEIM-UHFFFAOYSA-N 1 2 341.346 2.323 20 30 EEEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494086669 468025976 /nfs/dbraw/zinc/02/59/76/468025976.db2.gz QDIBUADKBRTMDY-AWEZNQCLSA-N 1 2 335.791 2.269 20 30 EEEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494086669 468025978 /nfs/dbraw/zinc/02/59/78/468025978.db2.gz QDIBUADKBRTMDY-AWEZNQCLSA-N 1 2 335.791 2.269 20 30 EEEDLO CC(C)CC(=O)Nc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000517025397 468066631 /nfs/dbraw/zinc/06/66/31/468066631.db2.gz QOPJTHDYMBWKAW-KRWDZBQOSA-N 1 2 332.448 2.289 20 30 EEEDLO CC(C)CC(=O)Nc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000517025397 468066633 /nfs/dbraw/zinc/06/66/33/468066633.db2.gz QOPJTHDYMBWKAW-KRWDZBQOSA-N 1 2 332.448 2.289 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000531841457 468080424 /nfs/dbraw/zinc/08/04/24/468080424.db2.gz AEUNHHRNDHIEFV-STQMWFEESA-N 1 2 335.370 2.038 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000531841457 468080426 /nfs/dbraw/zinc/08/04/26/468080426.db2.gz AEUNHHRNDHIEFV-STQMWFEESA-N 1 2 335.370 2.038 20 30 EEEDLO CC1CC(C#N)(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000532064421 468094161 /nfs/dbraw/zinc/09/41/61/468094161.db2.gz BGPINLNXAWBRDM-UHFFFAOYSA-N 1 2 327.428 2.075 20 30 EEEDLO COc1ccc2nc(C)cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2c1 ZINC000565838256 468138975 /nfs/dbraw/zinc/13/89/75/468138975.db2.gz XHEKFICVWKBFGY-SFHVURJKSA-N 1 2 326.400 2.126 20 30 EEEDLO C#CC[NH+]1CCN(Cn2ncn([C@@H](C)c3ccccc3)c2=S)CC1 ZINC000490556306 468219483 /nfs/dbraw/zinc/21/94/83/468219483.db2.gz DVOLWOVAGWYMHW-INIZCTEOSA-N 1 2 341.484 2.232 20 30 EEEDLO C#CCN(C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)C1CCCC1 ZINC000490799605 468251117 /nfs/dbraw/zinc/25/11/17/468251117.db2.gz INEFTBSRPUIBAI-UHFFFAOYSA-N 1 2 342.443 2.006 20 30 EEEDLO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)CC1 ZINC000594390376 468570179 /nfs/dbraw/zinc/57/01/79/468570179.db2.gz VZVGQWZYSLUGLO-UHFFFAOYSA-N 1 2 348.472 2.327 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000592151240 468639910 /nfs/dbraw/zinc/63/99/10/468639910.db2.gz KSYOXGZPRBZBGO-MRXNPFEDSA-N 1 2 328.328 2.100 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000592151240 468639916 /nfs/dbraw/zinc/63/99/16/468639916.db2.gz KSYOXGZPRBZBGO-MRXNPFEDSA-N 1 2 328.328 2.100 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000592150494 468640233 /nfs/dbraw/zinc/64/02/33/468640233.db2.gz FJYJMUJUBVEQDQ-WBVHZDCISA-N 1 2 333.819 2.186 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000592150494 468640238 /nfs/dbraw/zinc/64/02/38/468640238.db2.gz FJYJMUJUBVEQDQ-WBVHZDCISA-N 1 2 333.819 2.186 20 30 EEEDLO COc1cccc(C2=CC[N@H+](CC(=O)NC3(C#N)CCC3)CC2)c1 ZINC000558088829 468664859 /nfs/dbraw/zinc/66/48/59/468664859.db2.gz SRLULIDLMXAOQG-UHFFFAOYSA-N 1 2 325.412 2.347 20 30 EEEDLO COc1cccc(C2=CC[N@@H+](CC(=O)NC3(C#N)CCC3)CC2)c1 ZINC000558088829 468664863 /nfs/dbraw/zinc/66/48/63/468664863.db2.gz SRLULIDLMXAOQG-UHFFFAOYSA-N 1 2 325.412 2.347 20 30 EEEDLO Cn1nc(C(F)F)c2cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)sc21 ZINC000583444141 468698990 /nfs/dbraw/zinc/69/89/90/468698990.db2.gz OYIZNRCULLZWFH-AWEZNQCLSA-N 1 2 341.387 2.146 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000571170127 468750778 /nfs/dbraw/zinc/75/07/78/468750778.db2.gz VIRKRIBQWJNNIW-INIZCTEOSA-N 1 2 331.807 2.099 20 30 EEEDLO Cc1cncc(CC[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)n1 ZINC000593020912 468842269 /nfs/dbraw/zinc/84/22/69/468842269.db2.gz HSAZRYPNZSJQIJ-LJQANCHMSA-N 1 2 339.418 2.349 20 30 EEEDLO C[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1[nH+]ccn1C ZINC000598466319 468874579 /nfs/dbraw/zinc/87/45/79/468874579.db2.gz YLJDTYDWCRJEFV-GXTWGEPZSA-N 1 2 341.390 2.135 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1C#N ZINC000595728774 468973106 /nfs/dbraw/zinc/97/31/06/468973106.db2.gz OUHGRWLGJMVIFM-MAUKXSAKSA-N 1 2 349.438 2.153 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1C#N ZINC000595728774 468973112 /nfs/dbraw/zinc/97/31/12/468973112.db2.gz OUHGRWLGJMVIFM-MAUKXSAKSA-N 1 2 349.438 2.153 20 30 EEEDLO CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC000610725865 469052657 /nfs/dbraw/zinc/05/26/57/469052657.db2.gz MTAYFPFKEOVENZ-AWEZNQCLSA-N 1 2 341.415 2.344 20 30 EEEDLO CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC000610725865 469052663 /nfs/dbraw/zinc/05/26/63/469052663.db2.gz MTAYFPFKEOVENZ-AWEZNQCLSA-N 1 2 341.415 2.344 20 30 EEEDLO CCOc1ccc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)nn1 ZINC000595891032 469065903 /nfs/dbraw/zinc/06/59/03/469065903.db2.gz JFHZTABBYZCGSF-UHFFFAOYSA-N 1 2 341.390 2.208 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000562824748 469086180 /nfs/dbraw/zinc/08/61/80/469086180.db2.gz MGBGLYHWBDCYFI-SJORKVTESA-N 1 2 326.400 2.074 20 30 EEEDLO COc1ccc[nH+]c1N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000599023108 469092278 /nfs/dbraw/zinc/09/22/78/469092278.db2.gz RQDCSIOGAWYIQZ-UHFFFAOYSA-N 1 2 325.372 2.154 20 30 EEEDLO CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC000611039215 469145957 /nfs/dbraw/zinc/14/59/57/469145957.db2.gz YWLAVXGUZJJQOH-AWEZNQCLSA-N 1 2 341.415 2.344 20 30 EEEDLO CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC000611039215 469145967 /nfs/dbraw/zinc/14/59/67/469145967.db2.gz YWLAVXGUZJJQOH-AWEZNQCLSA-N 1 2 341.415 2.344 20 30 EEEDLO Cc1ccc([C@H](CNc2c(C#N)cnn2C)[NH+]2CCOCC2)cc1 ZINC000596084606 469147771 /nfs/dbraw/zinc/14/77/71/469147771.db2.gz DBZXIUGFQWBTOR-KRWDZBQOSA-N 1 2 325.416 2.086 20 30 EEEDLO N#CC1(NC(=O)C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)CCC1 ZINC000615227722 469185218 /nfs/dbraw/zinc/18/52/18/469185218.db2.gz IOURJZDFFZHWJD-IUCAKERBSA-N 1 2 343.271 2.221 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cn2)CCN1Cc1ccc(C#N)cn1 ZINC000563349128 469233171 /nfs/dbraw/zinc/23/31/71/469233171.db2.gz DBTARXZSNFKGEX-UHFFFAOYSA-N 1 2 346.438 2.316 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cn2)CCN1Cc1ccc(C#N)cn1 ZINC000563349128 469233184 /nfs/dbraw/zinc/23/31/84/469233184.db2.gz DBTARXZSNFKGEX-UHFFFAOYSA-N 1 2 346.438 2.316 20 30 EEEDLO CC1(C)CN(Cc2ccc(C#N)cn2)CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000563349128 469233188 /nfs/dbraw/zinc/23/31/88/469233188.db2.gz DBTARXZSNFKGEX-UHFFFAOYSA-N 1 2 346.438 2.316 20 30 EEEDLO CC1(C)CN(Cc2ccc(C#N)cn2)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000563349128 469233190 /nfs/dbraw/zinc/23/31/90/469233190.db2.gz DBTARXZSNFKGEX-UHFFFAOYSA-N 1 2 346.438 2.316 20 30 EEEDLO Cc1ccnc(-c2cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c2)n1 ZINC000564650842 469256271 /nfs/dbraw/zinc/25/62/71/469256271.db2.gz HGGRPZKKENOKND-QGZVFWFLSA-N 1 2 325.416 2.070 20 30 EEEDLO Cc1ccnc(-c2cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c2)n1 ZINC000564650842 469256276 /nfs/dbraw/zinc/25/62/76/469256276.db2.gz HGGRPZKKENOKND-QGZVFWFLSA-N 1 2 325.416 2.070 20 30 EEEDLO N#C[C@]1(F)CCN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000615535721 469257746 /nfs/dbraw/zinc/25/77/46/469257746.db2.gz XZSFEPSYVBQFSP-QGZVFWFLSA-N 1 2 331.395 2.219 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@](F)(C#N)C1)c1ccc(F)cc1 ZINC000615578181 469272194 /nfs/dbraw/zinc/27/21/94/469272194.db2.gz YFKXYVFOTBGTMQ-YOEHRIQHSA-N 1 2 345.353 2.296 20 30 EEEDLO N#Cc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1Cl ZINC000596640383 469318469 /nfs/dbraw/zinc/31/84/69/469318469.db2.gz IDRJRAGKMANBKE-CQSZACIVSA-N 1 2 334.807 2.150 20 30 EEEDLO C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000610345829 470005787 /nfs/dbraw/zinc/00/57/87/470005787.db2.gz YSNCQJNRZRFSMM-CQSZACIVSA-N 1 2 330.432 2.029 20 30 EEEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000610423991 470013755 /nfs/dbraw/zinc/01/37/55/470013755.db2.gz NYTHLJZPXOOYON-MRXNPFEDSA-N 1 2 338.367 2.015 20 30 EEEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000610423991 470013758 /nfs/dbraw/zinc/01/37/58/470013758.db2.gz NYTHLJZPXOOYON-MRXNPFEDSA-N 1 2 338.367 2.015 20 30 EEEDLO C=C(C)CN(CC)C(=O)Cn1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000640791781 471030594 /nfs/dbraw/zinc/03/05/94/471030594.db2.gz FYRDKJWBTOGXDB-UHFFFAOYSA-N 1 2 345.422 2.132 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ccccc2SC)nn1 ZINC000640823437 471047833 /nfs/dbraw/zinc/04/78/33/471047833.db2.gz HBZPMUCVYXDWSD-ZDUSSCGKSA-N 1 2 343.456 2.313 20 30 EEEDLO C=CCCn1cc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)nn1 ZINC000657360493 471112562 /nfs/dbraw/zinc/11/25/62/471112562.db2.gz IHCGHCMCKZALSC-UHFFFAOYSA-N 1 2 343.431 2.097 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)Nc1cnccn1)Cc1cnn(C(C)C)c1 ZINC000660540887 471385680 /nfs/dbraw/zinc/38/56/80/471385680.db2.gz UBHFKCMYHKBLEY-UHFFFAOYSA-N 1 2 328.420 2.271 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)Nc1cnccn1)Cc1cnn(C(C)C)c1 ZINC000660540887 471385683 /nfs/dbraw/zinc/38/56/83/471385683.db2.gz UBHFKCMYHKBLEY-UHFFFAOYSA-N 1 2 328.420 2.271 20 30 EEEDLO C=CCCn1cc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)nn1 ZINC000653499066 471641082 /nfs/dbraw/zinc/64/10/82/471641082.db2.gz ZUPAYDXFSPTFDX-UHFFFAOYSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](CC)c1nnc2n1CCCCC2 ZINC000661936714 471930112 /nfs/dbraw/zinc/93/01/12/471930112.db2.gz HABWCOALBRKZNA-HNNXBMFYSA-N 1 2 333.480 2.470 20 30 EEEDLO C=C[C@@H](O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000668573746 472179923 /nfs/dbraw/zinc/17/99/23/472179923.db2.gz HUYAZAQELRBRDJ-UKRRQHHQSA-N 1 2 326.799 2.107 20 30 EEEDLO C=C[C@@H](O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000668573746 472179927 /nfs/dbraw/zinc/17/99/27/472179927.db2.gz HUYAZAQELRBRDJ-UKRRQHHQSA-N 1 2 326.799 2.107 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000684792745 485997898 /nfs/dbraw/zinc/99/78/98/485997898.db2.gz YCFBZKQCFBQSHP-DOTOQJQBSA-N 1 2 342.443 2.466 20 30 EEEDLO C=CCC(C)(C)C(=O)N(CC)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106968243 782151443 /nfs/dbraw/zinc/15/14/43/782151443.db2.gz MKWYROCMSQOCSU-UHFFFAOYSA-N 1 2 345.491 2.327 20 30 EEEDLO C=CCC(C)(C)C(=O)N(CC)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106968243 782151450 /nfs/dbraw/zinc/15/14/50/782151450.db2.gz MKWYROCMSQOCSU-UHFFFAOYSA-N 1 2 345.491 2.327 20 30 EEEDLO C#CCN1CCC[C@H]1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000730285066 577016397 /nfs/dbraw/zinc/01/63/97/577016397.db2.gz HIOYGBRORPKDDW-APWZRJJASA-N 1 2 341.455 2.116 20 30 EEEDLO C[N@H+](Cc1ccc(F)cc1C#N)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732811281 577193348 /nfs/dbraw/zinc/19/33/48/577193348.db2.gz QQWQFLSFQWWMNU-ZDUSSCGKSA-N 1 2 329.297 2.292 20 30 EEEDLO C[N@@H+](Cc1ccc(F)cc1C#N)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732811281 577193350 /nfs/dbraw/zinc/19/33/50/577193350.db2.gz QQWQFLSFQWWMNU-ZDUSSCGKSA-N 1 2 329.297 2.292 20 30 EEEDLO CN1C(=O)CCc2cc(CN=Nc3ccc(-n4cc[nH+]c4)nn3)ccc21 ZINC000761835069 577689828 /nfs/dbraw/zinc/68/98/28/577689828.db2.gz KJPWRWQEXKRBKP-UHFFFAOYSA-N 1 2 347.382 2.017 20 30 EEEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1ncccc1Cl ZINC000755654297 577828676 /nfs/dbraw/zinc/82/86/76/577828676.db2.gz IDBDMYRGZLSJRN-UHFFFAOYSA-N 1 2 334.811 2.060 20 30 EEEDLO Cc1[nH]c[nH+]c1C=NNC(=S)NCCCN(C)c1ccccc1 ZINC000755689920 577829242 /nfs/dbraw/zinc/82/92/42/577829242.db2.gz VQNDTLVEWWVSAN-UHFFFAOYSA-N 1 2 330.461 2.043 20 30 EEEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)[C@H]2CCSC2)c1=S ZINC000755799087 577831879 /nfs/dbraw/zinc/83/18/79/577831879.db2.gz VCRLYLSFADFRGS-LBPRGKRZSA-N 1 2 348.501 2.452 20 30 EEEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)[C@H]2CCSC2)c1=S ZINC000755799087 577831880 /nfs/dbraw/zinc/83/18/80/577831880.db2.gz VCRLYLSFADFRGS-LBPRGKRZSA-N 1 2 348.501 2.452 20 30 EEEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000745080155 577907873 /nfs/dbraw/zinc/90/78/73/577907873.db2.gz SLQXBAHSJSFIJZ-CQSZACIVSA-N 1 2 326.356 2.136 20 30 EEEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000745080155 577907874 /nfs/dbraw/zinc/90/78/74/577907874.db2.gz SLQXBAHSJSFIJZ-CQSZACIVSA-N 1 2 326.356 2.136 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCc2nc(CC(F)(F)F)no2)cc1 ZINC000746049080 577921605 /nfs/dbraw/zinc/92/16/05/577921605.db2.gz SXGHODKYKUGMPV-UHFFFAOYSA-N 1 2 330.266 2.020 20 30 EEEDLO Cc1ccc(C(N)=[NH+]OCC(=O)NCc2ccc(C#N)cc2)cc1F ZINC000746095009 577922225 /nfs/dbraw/zinc/92/22/25/577922225.db2.gz BLGFUPBJUUERHO-UHFFFAOYSA-N 1 2 340.358 2.169 20 30 EEEDLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccccc1SCC#N ZINC000741148201 578113739 /nfs/dbraw/zinc/11/37/39/578113739.db2.gz YQLXLVFNFYOZTJ-AWEZNQCLSA-N 1 2 347.440 2.268 20 30 EEEDLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccccc1SCC#N ZINC000741148201 578113740 /nfs/dbraw/zinc/11/37/40/578113740.db2.gz YQLXLVFNFYOZTJ-AWEZNQCLSA-N 1 2 347.440 2.268 20 30 EEEDLO C=CC[N@@H+](CC(=O)OCC)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741783175 578124026 /nfs/dbraw/zinc/12/40/26/578124026.db2.gz KEEGRCQTCSUWCL-AWEZNQCLSA-N 1 2 326.437 2.295 20 30 EEEDLO C=CC[N@H+](CC(=O)OCC)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741783175 578124027 /nfs/dbraw/zinc/12/40/27/578124027.db2.gz KEEGRCQTCSUWCL-AWEZNQCLSA-N 1 2 326.437 2.295 20 30 EEEDLO C=C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)CC1 ZINC000735402745 578152315 /nfs/dbraw/zinc/15/23/15/578152315.db2.gz JCROUICEAUSQOA-UHFFFAOYSA-N 1 2 332.795 2.111 20 30 EEEDLO Cc1n[nH]c(C(=O)N[C@@H](C)C2C[NH+](Cc3ccc(C#N)cc3)C2)c1C ZINC000969419171 674979192 /nfs/dbraw/zinc/97/91/92/674979192.db2.gz BYVSKYPKACVKJH-AWEZNQCLSA-N 1 2 337.427 2.149 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nc([C@H](C)OC)no2)C1 ZINC000969570562 675110739 /nfs/dbraw/zinc/11/07/39/675110739.db2.gz TVHJBLVUYPWELN-QWHCGFSZSA-N 1 2 336.436 2.070 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccnn2CC2CCC2)C1 ZINC000969674892 675160938 /nfs/dbraw/zinc/16/09/38/675160938.db2.gz RMGCEJKZLLXBBV-ZDUSSCGKSA-N 1 2 336.867 2.486 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ncoc2C(C)C)C1 ZINC000970446823 675901421 /nfs/dbraw/zinc/90/14/21/675901421.db2.gz JWCZFCPOPLAZMB-UNEWFSDZSA-N 1 2 347.459 2.326 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000970635147 676043147 /nfs/dbraw/zinc/04/31/47/676043147.db2.gz UQOFMWKPOHXYAI-GFCCVEGCSA-N 1 2 349.862 2.469 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccccc2C(=O)N(C)C)C1 ZINC000970753774 676125030 /nfs/dbraw/zinc/12/50/30/676125030.db2.gz NCXJYLCVXREIMR-ZDUSSCGKSA-N 1 2 349.862 2.191 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC000970877722 676210965 /nfs/dbraw/zinc/21/09/65/676210965.db2.gz ILMVWLQZESJMNK-LLVKDONJSA-N 1 2 346.818 2.138 20 30 EEEDLO Cc1noc(C(=O)N[C@H](C)C2C[NH+](Cc3ccccc3C#N)C2)c1C ZINC000969923342 675314558 /nfs/dbraw/zinc/31/45/58/675314558.db2.gz RPEOGYYPBRNWQW-CQSZACIVSA-N 1 2 338.411 2.413 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2OCCc3ccccc32)C1 ZINC000970253839 675747102 /nfs/dbraw/zinc/74/71/02/675747102.db2.gz QOKIDOGULGZMSZ-SUMWQHHRSA-N 1 2 334.847 2.489 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC000970332561 675788832 /nfs/dbraw/zinc/78/88/32/675788832.db2.gz VGDBJNGKLJWIEG-OCCSQVGLSA-N 1 2 336.867 2.029 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@H]4CN(CC#N)CC[C@@H]43)ccn12 ZINC001021586587 676240612 /nfs/dbraw/zinc/24/06/12/676240612.db2.gz CNQVBYXYQYQUDU-IRXDYDNUSA-N 1 2 337.427 2.093 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C)on2)C1 ZINC000971027427 676326055 /nfs/dbraw/zinc/32/60/55/676326055.db2.gz WUMDAEGMCNVQQG-NSHDSACASA-N 1 2 328.210 2.038 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2cc(C)on2)C1 ZINC000971027427 676326056 /nfs/dbraw/zinc/32/60/56/676326056.db2.gz WUMDAEGMCNVQQG-NSHDSACASA-N 1 2 328.210 2.038 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC000971067468 676350945 /nfs/dbraw/zinc/35/09/45/676350945.db2.gz GFOUWELKSHTIAP-LLVKDONJSA-N 1 2 328.210 2.038 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC000971067468 676350947 /nfs/dbraw/zinc/35/09/47/676350947.db2.gz GFOUWELKSHTIAP-LLVKDONJSA-N 1 2 328.210 2.038 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)CCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001067501854 676380045 /nfs/dbraw/zinc/38/00/45/676380045.db2.gz WUGMYMCQAVIEJS-OAHLLOKOSA-N 1 2 348.491 2.498 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)CCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001067501854 676380046 /nfs/dbraw/zinc/38/00/46/676380046.db2.gz WUGMYMCQAVIEJS-OAHLLOKOSA-N 1 2 348.491 2.498 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)C#N)sc1C ZINC001039346296 676435550 /nfs/dbraw/zinc/43/55/50/676435550.db2.gz CWJZDNNEJFVINR-GLQYFDAESA-N 1 2 332.473 2.485 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)C#N)sc1C ZINC001039346296 676435552 /nfs/dbraw/zinc/43/55/52/676435552.db2.gz CWJZDNNEJFVINR-GLQYFDAESA-N 1 2 332.473 2.485 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@]3(CC)C(C)C)CC2)C1 ZINC000949503567 676469958 /nfs/dbraw/zinc/46/99/58/676469958.db2.gz HYUMBMKFASICDO-FXAWDEMLSA-N 1 2 332.488 2.385 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@]3(CC)C(C)C)CC2)C1 ZINC000949503567 676469959 /nfs/dbraw/zinc/46/99/59/676469959.db2.gz HYUMBMKFASICDO-FXAWDEMLSA-N 1 2 332.488 2.385 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CC[C@H]2CCOC2)C1 ZINC000971297437 676474373 /nfs/dbraw/zinc/47/43/73/676474373.db2.gz HOZGOOLSWMEQRM-KBPBESRZSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)CC[C@H]2CCOC2)C1 ZINC000971297437 676474375 /nfs/dbraw/zinc/47/43/75/676474375.db2.gz HOZGOOLSWMEQRM-KBPBESRZSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2cncc(F)c2)C1 ZINC000971325658 676485400 /nfs/dbraw/zinc/48/54/00/676485400.db2.gz DJRTZNLIMRNLRL-ZDUSSCGKSA-N 1 2 342.212 2.276 20 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676623890 /nfs/dbraw/zinc/62/38/90/676623890.db2.gz LTXYXQIMXQMMOV-XHSDSOJGSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nn(C)c1F ZINC001039463116 677731630 /nfs/dbraw/zinc/73/16/30/677731630.db2.gz WZAZFLAZIIEBDR-OLZOCXBDSA-N 1 2 340.830 2.299 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nn(C)c1F ZINC001039463116 677731633 /nfs/dbraw/zinc/73/16/33/677731633.db2.gz WZAZFLAZIIEBDR-OLZOCXBDSA-N 1 2 340.830 2.299 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)[C@H](C)c3ncccn3)C2)cc1 ZINC000972058331 678187249 /nfs/dbraw/zinc/18/72/49/678187249.db2.gz HTRJPROQJHRTFX-QAPCUYQASA-N 1 2 334.423 2.365 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@H](C)c3ncccn3)C2)cc1 ZINC000972058331 678187250 /nfs/dbraw/zinc/18/72/50/678187250.db2.gz HTRJPROQJHRTFX-QAPCUYQASA-N 1 2 334.423 2.365 20 30 EEEDLO C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000972389295 678668244 /nfs/dbraw/zinc/66/82/44/678668244.db2.gz 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345.418 2.369 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)c(O)c(F)c1 ZINC001272782868 1193496476 /nfs/dbraw/zinc/49/64/76/1193496476.db2.gz OJEOSZLDSPCNBU-SFHVURJKSA-N 1 2 334.366 2.261 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)c(O)c(F)c1 ZINC001272782868 1193496477 /nfs/dbraw/zinc/49/64/77/1193496477.db2.gz OJEOSZLDSPCNBU-SFHVURJKSA-N 1 2 334.366 2.261 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(C)nc2C(F)F)[C@H]1C ZINC001088627236 1188017328 /nfs/dbraw/zinc/01/73/28/1188017328.db2.gz FOIHNEPFNOYBQY-KOLCDFICSA-N 1 2 332.782 2.303 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nc2C(F)F)[C@H]1C ZINC001088627236 1188017332 /nfs/dbraw/zinc/01/73/32/1188017332.db2.gz FOIHNEPFNOYBQY-KOLCDFICSA-N 1 2 332.782 2.303 20 30 EEEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cnc(CCCC)[nH]1)CC2 ZINC001272834376 1193570716 /nfs/dbraw/zinc/57/07/16/1193570716.db2.gz XMTJQMJAHPOQFB-INIZCTEOSA-N 1 2 328.460 2.104 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccco3)[C@@H]2C1 ZINC001076384194 1188882239 /nfs/dbraw/zinc/88/22/39/1188882239.db2.gz RCYLMTGJLLGILU-GXTWGEPZSA-N 1 2 339.233 2.263 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccco3)[C@@H]2C1 ZINC001076384194 1188882243 /nfs/dbraw/zinc/88/22/43/1188882243.db2.gz RCYLMTGJLLGILU-GXTWGEPZSA-N 1 2 339.233 2.263 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)n3nc(C)cc3C)[C@@H]2C1 ZINC001076628125 1189055439 /nfs/dbraw/zinc/05/54/39/1189055439.db2.gz YWZMKZVNXCBLPH-HRCADAONSA-N 1 2 336.867 2.346 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)n3nc(C)cc3C)[C@@H]2C1 ZINC001076628125 1189055442 /nfs/dbraw/zinc/05/54/42/1189055442.db2.gz YWZMKZVNXCBLPH-HRCADAONSA-N 1 2 336.867 2.346 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001076690981 1189110668 /nfs/dbraw/zinc/11/06/68/1189110668.db2.gz DENYBLNAXUDSMO-RRFJBIMHSA-N 1 2 346.475 2.137 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](C)OCCCC)CC2)C1 ZINC001105695792 1189707593 /nfs/dbraw/zinc/70/75/93/1189707593.db2.gz OMHZYTMHSZNRCW-INIZCTEOSA-N 1 2 338.492 2.460 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnn(-c2cccnc2)c1 ZINC001483347999 1190383902 /nfs/dbraw/zinc/38/39/02/1190383902.db2.gz QDSZAEPTBSFCOI-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnn(-c2cccnc2)c1 ZINC001483347999 1190383908 /nfs/dbraw/zinc/38/39/08/1190383908.db2.gz QDSZAEPTBSFCOI-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3ccc(F)cc3C#N)C2)OCC1=O ZINC001272389016 1190798345 /nfs/dbraw/zinc/79/83/45/1190798345.db2.gz PUBWXLGWTIKHCZ-IBGZPJMESA-N 1 2 343.402 2.077 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3ccc(F)cc3C#N)C2)OCC1=O ZINC001272389016 1190798346 /nfs/dbraw/zinc/79/83/46/1190798346.db2.gz PUBWXLGWTIKHCZ-IBGZPJMESA-N 1 2 343.402 2.077 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1scc2c1OCCO2 ZINC001485367842 1191757112 /nfs/dbraw/zinc/75/71/12/1191757112.db2.gz IIINMZSEZCBYEO-SNVBAGLBSA-N 1 2 330.837 2.322 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1scc2c1OCCO2 ZINC001485367842 1191757113 /nfs/dbraw/zinc/75/71/13/1191757113.db2.gz IIINMZSEZCBYEO-SNVBAGLBSA-N 1 2 330.837 2.322 20 30 EEEDLO COCC[N@H+](CCNC(=O)C1(F)CCCC1)Cc1ccccc1C#N ZINC001486429242 1193944085 /nfs/dbraw/zinc/94/40/85/1193944085.db2.gz JUWKSUKAGGJKDE-UHFFFAOYSA-N 1 2 347.434 2.405 20 30 EEEDLO COCC[N@@H+](CCNC(=O)C1(F)CCCC1)Cc1ccccc1C#N ZINC001486429242 1193944087 /nfs/dbraw/zinc/94/40/87/1193944087.db2.gz JUWKSUKAGGJKDE-UHFFFAOYSA-N 1 2 347.434 2.405 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(Cl)n1)C2 ZINC001272961606 1194270736 /nfs/dbraw/zinc/27/07/36/1194270736.db2.gz GPKHJQVHVDVMII-SFHVURJKSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(Cl)n1)C2 ZINC001272961606 1194270740 /nfs/dbraw/zinc/27/07/40/1194270740.db2.gz GPKHJQVHVDVMII-SFHVURJKSA-N 1 2 349.862 2.362 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CC[C@H]3CC[C@@H](C)O3)c2C1 ZINC001128598783 1194455990 /nfs/dbraw/zinc/45/59/90/1194455990.db2.gz IWRDJIZWBBORJR-NVXWUHKLSA-N 1 2 346.475 2.239 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CC[C@H]3CC[C@@H](C)O3)c2C1 ZINC001128598783 1194455994 /nfs/dbraw/zinc/45/59/94/1194455994.db2.gz IWRDJIZWBBORJR-NVXWUHKLSA-N 1 2 346.475 2.239 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001033413168 1194531517 /nfs/dbraw/zinc/53/15/17/1194531517.db2.gz DISSKJHQMVJZSH-OAHLLOKOSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001033413168 1194531520 /nfs/dbraw/zinc/53/15/20/1194531520.db2.gz DISSKJHQMVJZSH-OAHLLOKOSA-N 1 2 345.834 2.166 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3nc(C)oc3C)C2)c1 ZINC001033404577 1194547243 /nfs/dbraw/zinc/54/72/43/1194547243.db2.gz CZCUCZXIIWWXRS-QGZVFWFLSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3nc(C)oc3C)C2)c1 ZINC001033404577 1194547245 /nfs/dbraw/zinc/54/72/45/1194547245.db2.gz CZCUCZXIIWWXRS-QGZVFWFLSA-N 1 2 338.411 2.014 20 30 EEEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(Cl)nn(C)c1Cl ZINC001018054556 1224264877 /nfs/dbraw/zinc/26/48/77/1224264877.db2.gz KFOZHYQBERPUPJ-AOOOYVTPSA-N 1 2 329.231 2.202 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(Cl)nn(C)c1Cl ZINC001018054556 1224264885 /nfs/dbraw/zinc/26/48/85/1224264885.db2.gz KFOZHYQBERPUPJ-AOOOYVTPSA-N 1 2 329.231 2.202 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2cn[nH]c2)cc1 ZINC001018060507 1224272718 /nfs/dbraw/zinc/27/27/18/1224272718.db2.gz WTENQHDUNQVDID-KDURUIRLSA-N 1 2 334.423 2.389 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2cn[nH]c2)cc1 ZINC001018060507 1224272727 /nfs/dbraw/zinc/27/27/27/1224272727.db2.gz WTENQHDUNQVDID-KDURUIRLSA-N 1 2 334.423 2.389 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnn3ncccc23)C1 ZINC001033855752 1195396579 /nfs/dbraw/zinc/39/65/79/1195396579.db2.gz JGUZDOXHXIDBJG-ZDUSSCGKSA-N 1 2 333.823 2.018 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn3ncccc23)C1 ZINC001033855752 1195396583 /nfs/dbraw/zinc/39/65/83/1195396583.db2.gz JGUZDOXHXIDBJG-ZDUSSCGKSA-N 1 2 333.823 2.018 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCCCNc1cc[nH+]c(C)n1 ZINC001090153233 1195492173 /nfs/dbraw/zinc/49/21/73/1195492173.db2.gz IFTOVUWODNDCFF-BMFZPTHFSA-N 1 2 332.448 2.463 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001033963366 1195588707 /nfs/dbraw/zinc/58/87/07/1195588707.db2.gz JGUPOBNMUSBGAN-OWCLPIDISA-N 1 2 336.867 2.199 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001033963366 1195588711 /nfs/dbraw/zinc/58/87/11/1195588711.db2.gz JGUPOBNMUSBGAN-OWCLPIDISA-N 1 2 336.867 2.199 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)s1 ZINC001034171280 1195892955 /nfs/dbraw/zinc/89/29/55/1195892955.db2.gz MJGONEFROJZDCN-CQSZACIVSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)s1 ZINC001034171280 1195892960 /nfs/dbraw/zinc/89/29/60/1195892960.db2.gz MJGONEFROJZDCN-CQSZACIVSA-N 1 2 343.456 2.436 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cccnc2N(C)C)C1 ZINC001034527844 1196332546 /nfs/dbraw/zinc/33/25/46/1196332546.db2.gz MFRPYICSZZJKBD-CQSZACIVSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccnc2N(C)C)C1 ZINC001034527844 1196332548 /nfs/dbraw/zinc/33/25/48/1196332548.db2.gz MFRPYICSZZJKBD-CQSZACIVSA-N 1 2 336.867 2.484 20 30 EEEDLO CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC001034539237 1196363771 /nfs/dbraw/zinc/36/37/71/1196363771.db2.gz YSUHNOORLINSFC-MRXNPFEDSA-N 1 2 337.427 2.079 20 30 EEEDLO CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC001034539237 1196363776 /nfs/dbraw/zinc/36/37/76/1196363776.db2.gz YSUHNOORLINSFC-MRXNPFEDSA-N 1 2 337.427 2.079 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2nnc3ccccc3n2)CC1 ZINC001005719683 1196746424 /nfs/dbraw/zinc/74/64/24/1196746424.db2.gz UVHSVQYWLSFLKL-UHFFFAOYSA-N 1 2 345.834 2.314 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc3c(c2)CCCO3)C1 ZINC001014830688 1224415611 /nfs/dbraw/zinc/41/56/11/1224415611.db2.gz DXSAIBDWKJWUJU-INIZCTEOSA-N 1 2 334.847 2.497 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc3c(c2)CCCO3)C1 ZINC001014830688 1224415613 /nfs/dbraw/zinc/41/56/13/1224415613.db2.gz DXSAIBDWKJWUJU-INIZCTEOSA-N 1 2 334.847 2.497 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3cncs3)C2)c(F)c1 ZINC001014836795 1224422898 /nfs/dbraw/zinc/42/28/98/1224422898.db2.gz FOGZRUQVJHMTOD-CQSZACIVSA-N 1 2 344.415 2.087 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cc3cncs3)C2)c(F)c1 ZINC001014836795 1224422901 /nfs/dbraw/zinc/42/29/01/1224422901.db2.gz FOGZRUQVJHMTOD-CQSZACIVSA-N 1 2 344.415 2.087 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)Oc1ccccc1F ZINC001018174997 1224428245 /nfs/dbraw/zinc/42/82/45/1224428245.db2.gz KDWUQZKYCDBJCD-HLLBOEOZSA-N 1 2 330.403 2.292 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)Oc1ccccc1F ZINC001018174997 1224428249 /nfs/dbraw/zinc/42/82/49/1224428249.db2.gz KDWUQZKYCDBJCD-HLLBOEOZSA-N 1 2 330.403 2.292 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001095321160 1197908512 /nfs/dbraw/zinc/90/85/12/1197908512.db2.gz UYEOVORNGQSJBV-GJZGRUSLSA-N 1 2 346.479 2.251 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(-c4ccoc4)no3)C[C@H]21 ZINC001114349555 1197908875 /nfs/dbraw/zinc/90/88/75/1197908875.db2.gz YTTDYBJNVAAPLQ-HALDLXJZSA-N 1 2 342.399 2.232 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(-c4ccoc4)no3)C[C@H]21 ZINC001114349555 1197908887 /nfs/dbraw/zinc/90/88/87/1197908887.db2.gz YTTDYBJNVAAPLQ-HALDLXJZSA-N 1 2 342.399 2.232 20 30 EEEDLO c1ccc(N=NCc2ccc(OCC[NH+]3CCOCC3)cc2)nc1 ZINC000872330920 1198148870 /nfs/dbraw/zinc/14/88/70/1198148870.db2.gz POHIPIARPDNMON-UHFFFAOYSA-N 1 2 326.400 2.239 20 30 EEEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(F)ccc(C#N)c1F)CC2 ZINC001273421514 1198777913 /nfs/dbraw/zinc/77/79/13/1198777913.db2.gz NCBXEPCQGOUKQP-OAHLLOKOSA-N 1 2 343.377 2.188 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001132002068 1199188154 /nfs/dbraw/zinc/18/81/54/1199188154.db2.gz GODUQAHRAWECBR-SJORKVTESA-N 1 2 342.487 2.492 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001132002068 1199188158 /nfs/dbraw/zinc/18/81/58/1199188158.db2.gz GODUQAHRAWECBR-SJORKVTESA-N 1 2 342.487 2.492 20 30 EEEDLO Cc1nnsc1C[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132037909 1199223601 /nfs/dbraw/zinc/22/36/01/1199223601.db2.gz KREIMCZPONCAOX-OCCSQVGLSA-N 1 2 334.489 2.365 20 30 EEEDLO Cc1nnsc1C[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132037909 1199223605 /nfs/dbraw/zinc/22/36/05/1199223605.db2.gz KREIMCZPONCAOX-OCCSQVGLSA-N 1 2 334.489 2.365 20 30 EEEDLO Cc1nn(C)c(Cl)c1C[N@H+]1C[C@@H](NC(=O)C#CC2CC2)CC[C@@H]1C ZINC001132045286 1199250714 /nfs/dbraw/zinc/25/07/14/1199250714.db2.gz DGKFROHYATXYGX-WFASDCNBSA-N 1 2 348.878 2.264 20 30 EEEDLO Cc1nn(C)c(Cl)c1C[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)CC[C@@H]1C ZINC001132045286 1199250719 /nfs/dbraw/zinc/25/07/19/1199250719.db2.gz DGKFROHYATXYGX-WFASDCNBSA-N 1 2 348.878 2.264 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2cc(OC)no2)CC[C@@H]1C ZINC001132065812 1199278213 /nfs/dbraw/zinc/27/82/13/1199278213.db2.gz YJJQCDOTGRPNOO-QWHCGFSZSA-N 1 2 341.839 2.337 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2cc(OC)no2)CC[C@@H]1C ZINC001132065812 1199278216 /nfs/dbraw/zinc/27/82/16/1199278216.db2.gz YJJQCDOTGRPNOO-QWHCGFSZSA-N 1 2 341.839 2.337 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)c(C)[nH+]1 ZINC001011739019 1224563184 /nfs/dbraw/zinc/56/31/84/1224563184.db2.gz MKVYSEXIIDYLRD-NVXWUHKLSA-N 1 2 339.439 2.139 20 30 EEEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]NC[C@@H]1CCSC1 ZINC000811660545 1200192373 /nfs/dbraw/zinc/19/23/73/1200192373.db2.gz PDONOOLCNGFYDQ-LBPRGKRZSA-N 1 2 341.440 2.161 20 30 EEEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C(=O)C(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000811732429 1200274930 /nfs/dbraw/zinc/27/49/30/1200274930.db2.gz RLNLCSHUXGFFCK-SJORKVTESA-N 1 2 327.428 2.364 20 30 EEEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C(=O)C(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000811732429 1200274934 /nfs/dbraw/zinc/27/49/34/1200274934.db2.gz RLNLCSHUXGFFCK-SJORKVTESA-N 1 2 327.428 2.364 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)CC3(O)CCCCC3)CCO2)c1 ZINC000878322524 1200395287 /nfs/dbraw/zinc/39/52/87/1200395287.db2.gz LDOQLVOEYUBYCP-MOPGFXCFSA-N 1 2 344.455 2.378 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)CC3(O)CCCCC3)CCO2)c1 ZINC000878322524 1200395292 /nfs/dbraw/zinc/39/52/92/1200395292.db2.gz LDOQLVOEYUBYCP-MOPGFXCFSA-N 1 2 344.455 2.378 20 30 EEEDLO COc1ccc([C@H]2CN(C(=O)c3cc(O)cc(C#N)c3)CC[NH2+]2)cc1 ZINC000870143559 1200505019 /nfs/dbraw/zinc/50/50/19/1200505019.db2.gz VVANRWYVJWOIBP-GOSISDBHSA-N 1 2 337.379 2.059 20 30 EEEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc([C@H](C)OCC(C)C)no1 ZINC001133145295 1200517606 /nfs/dbraw/zinc/51/76/06/1200517606.db2.gz UHJJOIYYUVDKQI-AWEZNQCLSA-N 1 2 338.452 2.365 20 30 EEEDLO C#Cc1cccc(NC(=S)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000795134066 1200758661 /nfs/dbraw/zinc/75/86/61/1200758661.db2.gz YAPMXIZQBVWTPL-WMLDXEAASA-N 1 2 329.469 2.160 20 30 EEEDLO CCS(=O)(=O)CCCCC[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586824 1201159593 /nfs/dbraw/zinc/15/95/93/1201159593.db2.gz WBFSUSPOVCYTKP-UHFFFAOYSA-N 1 2 349.500 2.285 20 30 EEEDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000879762579 1201246879 /nfs/dbraw/zinc/24/68/79/1201246879.db2.gz DZAPTPPEJPIFJD-OAHLLOKOSA-N 1 2 325.334 2.396 20 30 EEEDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000879762579 1201246881 /nfs/dbraw/zinc/24/68/81/1201246881.db2.gz DZAPTPPEJPIFJD-OAHLLOKOSA-N 1 2 325.334 2.396 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)c2ccc(C(F)(F)F)cc2)nn1 ZINC000881424802 1201697987 /nfs/dbraw/zinc/69/79/87/1201697987.db2.gz PEOHNBMJHGUFQU-OAHLLOKOSA-N 1 2 338.333 2.143 20 30 EEEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Cl)nc1OC ZINC001274209666 1204464467 /nfs/dbraw/zinc/46/44/67/1204464467.db2.gz FTEOMQRPMQRDMZ-ZIAGYGMSSA-N 1 2 335.835 2.495 20 30 EEEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Cl)nc1OC ZINC001274209666 1204464468 /nfs/dbraw/zinc/46/44/68/1204464468.db2.gz FTEOMQRPMQRDMZ-ZIAGYGMSSA-N 1 2 335.835 2.495 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC1(F)F)C2 ZINC001095390847 1204551295 /nfs/dbraw/zinc/55/12/95/1204551295.db2.gz SUHPPKRPBBBKDP-UGUYLWEFSA-N 1 2 331.366 2.435 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC1(F)F)C2 ZINC001095390847 1204551297 /nfs/dbraw/zinc/55/12/97/1204551297.db2.gz SUHPPKRPBBBKDP-UGUYLWEFSA-N 1 2 331.366 2.435 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001095409018 1204895909 /nfs/dbraw/zinc/89/59/09/1204895909.db2.gz SVHGBWPPFFEURF-OAHLLOKOSA-N 1 2 346.475 2.468 20 30 EEEDLO CCCCCCCC[C@@H](O)C[N@@H+]1C[C@]2(F)CN(C)C(=O)[C@]2(F)C1 ZINC001274575335 1205084388 /nfs/dbraw/zinc/08/43/88/1205084388.db2.gz DLCQJIVMDPOPEU-DJIMGWMZSA-N 1 2 332.435 2.302 20 30 EEEDLO CCCCCCCC[C@@H](O)C[N@H+]1C[C@]2(F)CN(C)C(=O)[C@]2(F)C1 ZINC001274575335 1205084391 /nfs/dbraw/zinc/08/43/91/1205084391.db2.gz DLCQJIVMDPOPEU-DJIMGWMZSA-N 1 2 332.435 2.302 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(O)c(F)c(F)c1 ZINC001274808146 1205174060 /nfs/dbraw/zinc/17/40/60/1205174060.db2.gz RGSYJYOWSLWNPQ-GOSISDBHSA-N 1 2 334.366 2.261 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(O)c(F)c(F)c1 ZINC001274808146 1205174062 /nfs/dbraw/zinc/17/40/62/1205174062.db2.gz RGSYJYOWSLWNPQ-GOSISDBHSA-N 1 2 334.366 2.261 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(O)c1F)C2 ZINC001274859301 1205190620 /nfs/dbraw/zinc/19/06/20/1205190620.db2.gz GYKDBJHYBXAHMT-IBGZPJMESA-N 1 2 348.418 2.158 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(O)c1F)C2 ZINC001274859301 1205190622 /nfs/dbraw/zinc/19/06/22/1205190622.db2.gz GYKDBJHYBXAHMT-IBGZPJMESA-N 1 2 348.418 2.158 20 30 EEEDLO COCCOC[N@@H+]1C[C@@H]2CCN(Cc3cccc(Cl)c3C#N)[C@@H]2C1 ZINC001275363429 1205322706 /nfs/dbraw/zinc/32/27/06/1205322706.db2.gz SRQJQDCFOMLIID-MAUKXSAKSA-N 1 2 349.862 2.338 20 30 EEEDLO COCCOC[N@H+]1C[C@@H]2CCN(Cc3cccc(Cl)c3C#N)[C@@H]2C1 ZINC001275363429 1205322709 /nfs/dbraw/zinc/32/27/09/1205322709.db2.gz SRQJQDCFOMLIID-MAUKXSAKSA-N 1 2 349.862 2.338 20 30 EEEDLO COCCOCN1C[C@@H]2CC[N@H+](Cc3cccc(Cl)c3C#N)[C@@H]2C1 ZINC001275363429 1205322711 /nfs/dbraw/zinc/32/27/11/1205322711.db2.gz SRQJQDCFOMLIID-MAUKXSAKSA-N 1 2 349.862 2.338 20 30 EEEDLO COCCOCN1C[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3C#N)[C@@H]2C1 ZINC001275363429 1205322714 /nfs/dbraw/zinc/32/27/14/1205322714.db2.gz SRQJQDCFOMLIID-MAUKXSAKSA-N 1 2 349.862 2.338 20 30 EEEDLO N#Cc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccc[nH]4)C[C@H](C2)O3)s1 ZINC001275588624 1205433693 /nfs/dbraw/zinc/43/36/93/1205433693.db2.gz GIGDGHYYJKAPDV-GASCZTMLSA-N 1 2 328.441 2.033 20 30 EEEDLO N#Cc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccc[nH]4)C[C@H](C2)O3)s1 ZINC001275588624 1205433695 /nfs/dbraw/zinc/43/36/95/1205433695.db2.gz GIGDGHYYJKAPDV-GASCZTMLSA-N 1 2 328.441 2.033 20 30 EEEDLO Cc1cc(C[NH+]2CC3(CN(Cc4ccc(C)cc4C#N)C3)C2)n(C)n1 ZINC001275615868 1205446025 /nfs/dbraw/zinc/44/60/25/1205446025.db2.gz CCUFZGDUXATAHQ-UHFFFAOYSA-N 1 2 335.455 2.226 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)cc(=O)oc1C)C2 ZINC001095725516 1205938426 /nfs/dbraw/zinc/93/84/26/1205938426.db2.gz JDOCOGPMDHLODF-RDBSUJKOSA-N 1 2 336.819 2.344 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)cc(=O)oc1C)C2 ZINC001095725516 1205938428 /nfs/dbraw/zinc/93/84/28/1205938428.db2.gz JDOCOGPMDHLODF-RDBSUJKOSA-N 1 2 336.819 2.344 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@H]2C)C1 ZINC001015213475 1224924793 /nfs/dbraw/zinc/92/47/93/1224924793.db2.gz KAWPHNUVLFQSAX-JKSUJKDBSA-N 1 2 344.459 2.125 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)CCC ZINC001110899419 1206072176 /nfs/dbraw/zinc/07/21/76/1206072176.db2.gz BITSUCBMNMUPCT-FPCVCCKLSA-N 1 2 335.492 2.225 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)CCC ZINC001110899419 1206072178 /nfs/dbraw/zinc/07/21/78/1206072178.db2.gz BITSUCBMNMUPCT-FPCVCCKLSA-N 1 2 335.492 2.225 20 30 EEEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000925612284 1206135648 /nfs/dbraw/zinc/13/56/48/1206135648.db2.gz QQQBYHHIVKTVBL-QAPCUYQASA-N 1 2 344.459 2.371 20 30 EEEDLO Cc1nc(N2CCC[C@](C)(CNC(=O)[C@H](C)C#N)C2)c(C)c(C)[nH+]1 ZINC001110927766 1206291548 /nfs/dbraw/zinc/29/15/48/1206291548.db2.gz FKKGMKNZCPWZHQ-KZULUSFZSA-N 1 2 329.448 2.284 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc(C)no2)C[C@@H]1C ZINC000947039913 1206349317 /nfs/dbraw/zinc/34/93/17/1206349317.db2.gz BPYMMPIZUXBPJR-RYUDHWBXSA-N 1 2 342.237 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)no2)C[C@@H]1C ZINC000947039913 1206349318 /nfs/dbraw/zinc/34/93/18/1206349318.db2.gz BPYMMPIZUXBPJR-RYUDHWBXSA-N 1 2 342.237 2.474 20 30 EEEDLO COc1ncc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C#N ZINC000932513643 1207620964 /nfs/dbraw/zinc/62/09/64/1207620964.db2.gz NPDVTMZTVAXRGE-DOMZBBRYSA-N 1 2 340.387 2.273 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ncc3ccccn32)C1 ZINC001015268669 1225012641 /nfs/dbraw/zinc/01/26/41/1225012641.db2.gz GOICGSLPXPUJCH-QGZVFWFLSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ncc3ccccn32)C1 ZINC001015268669 1225012651 /nfs/dbraw/zinc/01/26/51/1225012651.db2.gz GOICGSLPXPUJCH-QGZVFWFLSA-N 1 2 345.406 2.210 20 30 EEEDLO C[C@H]1C[C@@H](NC(=O)c2ccon2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947090834 1207693166 /nfs/dbraw/zinc/69/31/66/1207693166.db2.gz YQKJZZMMGJSVOK-LRDDRELGSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@H]1C[C@@H](NC(=O)c2ccon2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947090834 1207693167 /nfs/dbraw/zinc/69/31/67/1207693167.db2.gz YQKJZZMMGJSVOK-LRDDRELGSA-N 1 2 342.374 2.468 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cocn2)C[C@@H]1C ZINC000947114315 1207877255 /nfs/dbraw/zinc/87/72/55/1207877255.db2.gz ZWBDTSNLCIBUOB-WDEREUQCSA-N 1 2 328.210 2.166 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cocn2)C[C@@H]1C ZINC000947114315 1207877258 /nfs/dbraw/zinc/87/72/58/1207877258.db2.gz ZWBDTSNLCIBUOB-WDEREUQCSA-N 1 2 328.210 2.166 20 30 EEEDLO CCc1noc([C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)C)C2)n1 ZINC001111738966 1208344878 /nfs/dbraw/zinc/34/48/78/1208344878.db2.gz SLTOZDPAPIYHML-VCBZYWHSSA-N 1 2 344.459 2.323 20 30 EEEDLO CCc1noc([C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)C)C2)n1 ZINC001111738966 1208344880 /nfs/dbraw/zinc/34/48/80/1208344880.db2.gz SLTOZDPAPIYHML-VCBZYWHSSA-N 1 2 344.459 2.323 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001095789990 1208520489 /nfs/dbraw/zinc/52/04/89/1208520489.db2.gz IGDVJDFFLREYJP-DZGCQCFKSA-N 1 2 346.479 2.394 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nccn3C)[C@H](C)C2)cc1 ZINC000947612996 1208644986 /nfs/dbraw/zinc/64/49/86/1208644986.db2.gz YPKRBNCWKQMXSZ-QAPCUYQASA-N 1 2 336.439 2.184 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nccn3C)[C@H](C)C2)cc1 ZINC000947612996 1208644988 /nfs/dbraw/zinc/64/49/88/1208644988.db2.gz YPKRBNCWKQMXSZ-QAPCUYQASA-N 1 2 336.439 2.184 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1csnc1C ZINC000948905883 1209445843 /nfs/dbraw/zinc/44/58/43/1209445843.db2.gz FKDZPYJDAWXBMP-KRWDZBQOSA-N 1 2 325.437 2.414 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1csnc1C ZINC000948905883 1209445845 /nfs/dbraw/zinc/44/58/45/1209445845.db2.gz FKDZPYJDAWXBMP-KRWDZBQOSA-N 1 2 325.437 2.414 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cncc(COC)c1 ZINC000948929907 1209458722 /nfs/dbraw/zinc/45/87/22/1209458722.db2.gz UTIGXGKESUWCQA-HXUWFJFHSA-N 1 2 349.434 2.190 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cncc(COC)c1 ZINC000948929907 1209458725 /nfs/dbraw/zinc/45/87/25/1209458725.db2.gz UTIGXGKESUWCQA-HXUWFJFHSA-N 1 2 349.434 2.190 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc2nonc2c1 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C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001007362064 1222190598 /nfs/dbraw/zinc/19/05/98/1222190598.db2.gz YYTSXFIMBYAONB-BBWFWOEESA-N 1 2 349.862 2.492 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2ccsn2)C1 ZINC001007601160 1222319849 /nfs/dbraw/zinc/31/98/49/1222319849.db2.gz ZMFPPCKPXARULJ-OAHLLOKOSA-N 1 2 326.425 2.409 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccsn2)C1 ZINC001007601160 1222319851 /nfs/dbraw/zinc/31/98/51/1222319851.db2.gz ZMFPPCKPXARULJ-OAHLLOKOSA-N 1 2 326.425 2.409 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1n[nH]c2c1CCC2 ZINC001007745018 1222395131 /nfs/dbraw/zinc/39/51/31/1222395131.db2.gz JNXKOTFJDLJSJC-KRWDZBQOSA-N 1 2 348.450 2.144 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1n[nH]c2c1CCC2 ZINC001007745018 1222395134 /nfs/dbraw/zinc/39/51/34/1222395134.db2.gz JNXKOTFJDLJSJC-KRWDZBQOSA-N 1 2 348.450 2.144 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008121204 1222634025 /nfs/dbraw/zinc/63/40/25/1222634025.db2.gz HYLOYEIBPZQAQN-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001008121204 1222634029 /nfs/dbraw/zinc/63/40/29/1222634029.db2.gz HYLOYEIBPZQAQN-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001008394223 1222807016 /nfs/dbraw/zinc/80/70/16/1222807016.db2.gz CGABNDZSOYDTPF-HNNXBMFYSA-N 1 2 346.475 2.216 20 30 EEEDLO Cc1ncsc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010319473 1223659621 /nfs/dbraw/zinc/65/96/21/1223659621.db2.gz IVZLIBPKJRVYQQ-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1ncsc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010319473 1223659622 /nfs/dbraw/zinc/65/96/22/1223659622.db2.gz IVZLIBPKJRVYQQ-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)c3ccc(F)nc3)C2)c1 ZINC001010384359 1223692628 /nfs/dbraw/zinc/69/26/28/1223692628.db2.gz LBOLBNGIRJUROW-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)c3ccc(F)nc3)C2)c1 ZINC001010384359 1223692632 /nfs/dbraw/zinc/69/26/32/1223692632.db2.gz LBOLBNGIRJUROW-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO Cc1ccncc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010421065 1223712719 /nfs/dbraw/zinc/71/27/19/1223712719.db2.gz LTFBJEYLTBABBX-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1ccncc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010421065 1223712721 /nfs/dbraw/zinc/71/27/21/1223712721.db2.gz LTFBJEYLTBABBX-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001010635757 1223825064 /nfs/dbraw/zinc/82/50/64/1223825064.db2.gz LCSOCQAVWCNLSG-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO Cc1nscc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001010685168 1223850662 /nfs/dbraw/zinc/85/06/62/1223850662.db2.gz XVNLJOWOQVZDEQ-OAHLLOKOSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1nscc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001010685168 1223850664 /nfs/dbraw/zinc/85/06/64/1223850664.db2.gz XVNLJOWOQVZDEQ-OAHLLOKOSA-N 1 2 326.425 2.328 20 30 EEEDLO CCc1nc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)co1 ZINC001010700957 1223857942 /nfs/dbraw/zinc/85/79/42/1223857942.db2.gz QBQYUDMUPCAIFI-AWEZNQCLSA-N 1 2 342.374 2.252 20 30 EEEDLO CCc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)co1 ZINC001010700957 1223857943 /nfs/dbraw/zinc/85/79/43/1223857943.db2.gz QBQYUDMUPCAIFI-AWEZNQCLSA-N 1 2 342.374 2.252 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)c2coc(C)c2)C1 ZINC001010758083 1223892364 /nfs/dbraw/zinc/89/23/64/1223892364.db2.gz IAJCLPLCWUKKHW-KRWDZBQOSA-N 1 2 339.395 2.473 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)c2coc(C)c2)C1 ZINC001010758083 1223892365 /nfs/dbraw/zinc/89/23/65/1223892365.db2.gz IAJCLPLCWUKKHW-KRWDZBQOSA-N 1 2 339.395 2.473 20 30 EEEDLO Cc1ccn(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010765596 1223896503 /nfs/dbraw/zinc/89/65/03/1223896503.db2.gz DJXULIBLGRSDQW-MRXNPFEDSA-N 1 2 340.402 2.349 20 30 EEEDLO Cc1ccn(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010765596 1223896505 /nfs/dbraw/zinc/89/65/05/1223896505.db2.gz DJXULIBLGRSDQW-MRXNPFEDSA-N 1 2 340.402 2.349 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[C@H](C[N@H+](C)Cc2nnc(C3CC3)s2)C1 ZINC001017070162 1227089782 /nfs/dbraw/zinc/08/97/82/1227089782.db2.gz CAHUJOLMYUGADA-QWHCGFSZSA-N 1 2 347.488 2.246 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2nnc(C3CC3)s2)C1 ZINC001017070162 1227089786 /nfs/dbraw/zinc/08/97/86/1227089786.db2.gz CAHUJOLMYUGADA-QWHCGFSZSA-N 1 2 347.488 2.246 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2nnc(C3CC3)s2)C1 ZINC001017070164 1227090178 /nfs/dbraw/zinc/09/01/78/1227090178.db2.gz CAHUJOLMYUGADA-STQMWFEESA-N 1 2 347.488 2.246 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2nnc(C3CC3)s2)C1 ZINC001017070164 1227090181 /nfs/dbraw/zinc/09/01/81/1227090181.db2.gz CAHUJOLMYUGADA-STQMWFEESA-N 1 2 347.488 2.246 20 30 EEEDLO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2C)cc1C#N ZINC001017322654 1227331239 /nfs/dbraw/zinc/33/12/39/1227331239.db2.gz WYEGVBOWGOMLOZ-NKGKWGDASA-N 1 2 339.439 2.398 20 30 EEEDLO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2C)cc1C#N ZINC001017322654 1227331242 /nfs/dbraw/zinc/33/12/42/1227331242.db2.gz WYEGVBOWGOMLOZ-NKGKWGDASA-N 1 2 339.439 2.398 20 30 EEEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(CC2CC2)s1 ZINC001017759332 1227704609 /nfs/dbraw/zinc/70/46/09/1227704609.db2.gz OZMPEVZTJKLMJT-GASCZTMLSA-N 1 2 329.469 2.408 20 30 EEEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(CC2CC2)s1 ZINC001017759332 1227704613 /nfs/dbraw/zinc/70/46/13/1227704613.db2.gz OZMPEVZTJKLMJT-GASCZTMLSA-N 1 2 329.469 2.408 20 30 EEEDLO C=C(Br)C[NH2+][C@H]1CCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001019364097 1229029781 /nfs/dbraw/zinc/02/97/81/1229029781.db2.gz RYNIIUZRFUVNJI-QMMMGPOBSA-N 1 2 349.179 2.060 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001019708188 1229272031 /nfs/dbraw/zinc/27/20/31/1229272031.db2.gz BVZULXUJNVMROC-SFHVURJKSA-N 1 2 349.434 2.467 20 30 EEEDLO N#Cc1cccc(NC(=O)NCc2c[nH+]cn2C2CCOCC2)c1 ZINC001202798117 1229324420 /nfs/dbraw/zinc/32/44/20/1229324420.db2.gz MGCOGKJJMWMIGA-UHFFFAOYSA-N 1 2 325.372 2.428 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)ns1 ZINC001038200223 1229686206 /nfs/dbraw/zinc/68/62/06/1229686206.db2.gz YAHGLRJBYDPISD-HNNXBMFYSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)ns1 ZINC001038200223 1229686208 /nfs/dbraw/zinc/68/62/08/1229686208.db2.gz YAHGLRJBYDPISD-HNNXBMFYSA-N 1 2 326.425 2.328 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CCC2(F)F)cc1F ZINC001038399056 1229791066 /nfs/dbraw/zinc/79/10/66/1229791066.db2.gz SYJJNOLZNUOWTK-UONOGXRCSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CCC2(F)F)cc1F ZINC001038399056 1229791071 /nfs/dbraw/zinc/79/10/71/1229791071.db2.gz SYJJNOLZNUOWTK-UONOGXRCSA-N 1 2 337.345 2.433 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1Cc2ccncc2C1 ZINC001038703053 1229985427 /nfs/dbraw/zinc/98/54/27/1229985427.db2.gz HZLGATMKHYLSFD-FPOVZHCZSA-N 1 2 345.446 2.039 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1Cc2ccncc2C1 ZINC001038703053 1229985431 /nfs/dbraw/zinc/98/54/31/1229985431.db2.gz HZLGATMKHYLSFD-FPOVZHCZSA-N 1 2 345.446 2.039 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(C3CC3)no2)c1 ZINC001038751575 1230023172 /nfs/dbraw/zinc/02/31/72/1230023172.db2.gz LNQYGQJJKZGBOY-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(C3CC3)no2)c1 ZINC001038751575 1230023175 /nfs/dbraw/zinc/02/31/75/1230023175.db2.gz LNQYGQJJKZGBOY-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO Cn1nccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001039529757 1230678900 /nfs/dbraw/zinc/67/89/00/1230678900.db2.gz WVXOECISZDCINN-HDICACEKSA-N 1 2 349.438 2.171 20 30 EEEDLO Cn1nccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001039529757 1230678903 /nfs/dbraw/zinc/67/89/03/1230678903.db2.gz WVXOECISZDCINN-HDICACEKSA-N 1 2 349.438 2.171 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](CNc3cc[nH+]c(C)n3)C2)nc1 ZINC001039875152 1230877339 /nfs/dbraw/zinc/87/73/39/1230877339.db2.gz KVNKIONTFKOEST-PBHICJAKSA-N 1 2 349.438 2.372 20 30 EEEDLO C[C@H]1[C@@H](Nc2ccc(C#N)nc2)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001040205807 1231102977 /nfs/dbraw/zinc/10/29/77/1231102977.db2.gz BWDCWHUVEMHRJP-BBRMVZONSA-N 1 2 346.394 2.316 20 30 EEEDLO C[C@H](CC(=O)N1CC[C@H](Nc2ncccc2C#N)[C@@H]1C)n1cc[nH+]c1 ZINC001040260300 1231137910 /nfs/dbraw/zinc/13/79/10/1231137910.db2.gz IJZWOXHXMZCXSB-YCPHGPKFSA-N 1 2 338.415 2.202 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@H+](Cc3nnc(C4CC4)[nH]3)C2)C1 ZINC001041542804 1231588773 /nfs/dbraw/zinc/58/87/73/1231588773.db2.gz FIKFAHOAQADFFR-IBGZPJMESA-N 1 2 343.475 2.319 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@@H+](Cc3nnc(C4CC4)[nH]3)C2)C1 ZINC001041542804 1231588774 /nfs/dbraw/zinc/58/87/74/1231588774.db2.gz FIKFAHOAQADFFR-IBGZPJMESA-N 1 2 343.475 2.319 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3cnon3)[C@@H]2C1 ZINC001042075237 1231870869 /nfs/dbraw/zinc/87/08/69/1231870869.db2.gz BDMJPFPZYYDDSP-GXTWGEPZSA-N 1 2 338.839 2.271 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3cnon3)[C@@H]2C1 ZINC001042075237 1231870870 /nfs/dbraw/zinc/87/08/70/1231870870.db2.gz BDMJPFPZYYDDSP-GXTWGEPZSA-N 1 2 338.839 2.271 20 30 EEEDLO Cc1cc(N2CC[C@@H]3CCN(C(=O)[C@H](C)C#N)C[C@@H]32)nc(C(C)C)[nH+]1 ZINC001044948887 1233396810 /nfs/dbraw/zinc/39/68/10/1233396810.db2.gz LYSPMFWNCYNLBB-KBMXLJTQSA-N 1 2 341.459 2.495 20 30 EEEDLO N#Cc1c(F)cccc1N(CCCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001096041694 1233927850 /nfs/dbraw/zinc/92/78/50/1233927850.db2.gz AEEWQJWHQFAEHP-UHFFFAOYSA-N 1 2 341.390 2.069 20 30 EEEDLO C[C@@]1(NC(=O)C2CCOCC2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046099124 1234436055 /nfs/dbraw/zinc/43/60/55/1234436055.db2.gz GQKRLQIRUMLUGK-LJQANCHMSA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@@]1(NC(=O)C2CCOCC2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046099124 1234436057 /nfs/dbraw/zinc/43/60/57/1234436057.db2.gz GQKRLQIRUMLUGK-LJQANCHMSA-N 1 2 345.418 2.205 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046179329 1234520666 /nfs/dbraw/zinc/52/06/66/1234520666.db2.gz XFIIUFKDNCTUNN-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046179329 1234520668 /nfs/dbraw/zinc/52/06/68/1234520668.db2.gz XFIIUFKDNCTUNN-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO C[C@]1(NC(=O)c2cocn2)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046193347 1234538789 /nfs/dbraw/zinc/53/87/89/1234538789.db2.gz CHFIBLJEKSZIIO-KRWDZBQOSA-N 1 2 328.347 2.080 20 30 EEEDLO C[C@]1(NC(=O)c2cocn2)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046193347 1234538790 /nfs/dbraw/zinc/53/87/90/1234538790.db2.gz CHFIBLJEKSZIIO-KRWDZBQOSA-N 1 2 328.347 2.080 20 30 EEEDLO Cc1ncoc1C(=O)N[C@@]1(C)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046216012 1234564592 /nfs/dbraw/zinc/56/45/92/1234564592.db2.gz IKMWQFHPXPLVBU-IBGZPJMESA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1ncoc1C(=O)N[C@@]1(C)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046216012 1234564595 /nfs/dbraw/zinc/56/45/95/1234564595.db2.gz IKMWQFHPXPLVBU-IBGZPJMESA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC001046239552 1234584968 /nfs/dbraw/zinc/58/49/68/1234584968.db2.gz LRNJDUPWESLKIQ-MRXNPFEDSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC001046239552 1234584970 /nfs/dbraw/zinc/58/49/70/1234584970.db2.gz LRNJDUPWESLKIQ-MRXNPFEDSA-N 1 2 329.429 2.046 20 30 EEEDLO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001046251670 1234594934 /nfs/dbraw/zinc/59/49/34/1234594934.db2.gz QLXKAIRZZDRNDQ-KRWDZBQOSA-N 1 2 343.818 2.329 20 30 EEEDLO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001046251670 1234594937 /nfs/dbraw/zinc/59/49/37/1234594937.db2.gz QLXKAIRZZDRNDQ-KRWDZBQOSA-N 1 2 343.818 2.329 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001046374581 1234723343 /nfs/dbraw/zinc/72/33/43/1234723343.db2.gz QHDCGPUOKISLPL-LJQANCHMSA-N 1 2 341.459 2.110 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001046374581 1234723348 /nfs/dbraw/zinc/72/33/48/1234723348.db2.gz QHDCGPUOKISLPL-LJQANCHMSA-N 1 2 341.459 2.110 20 30 EEEDLO COC1CC(C(=O)N[C@@]2(C)CC[N@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001046400937 1234757573 /nfs/dbraw/zinc/75/75/73/1234757573.db2.gz SFGOKEJUHJOPMW-YVNUBYTISA-N 1 2 345.418 2.203 20 30 EEEDLO COC1CC(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001046400937 1234757578 /nfs/dbraw/zinc/75/75/78/1234757578.db2.gz SFGOKEJUHJOPMW-YVNUBYTISA-N 1 2 345.418 2.203 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001046519328 1234898091 /nfs/dbraw/zinc/89/80/91/1234898091.db2.gz GVJANCDWBMVICT-KDOFPFPSSA-N 1 2 347.846 2.446 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001046519328 1234898094 /nfs/dbraw/zinc/89/80/94/1234898094.db2.gz GVJANCDWBMVICT-KDOFPFPSSA-N 1 2 347.846 2.446 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)c3ncccn3)C2)cc1 ZINC001046533502 1234914727 /nfs/dbraw/zinc/91/47/27/1234914727.db2.gz OLWZRNXLJUQLSF-QRWLVFNGSA-N 1 2 334.423 2.413 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@H](C)c3ncccn3)C2)cc1 ZINC001046533502 1234914728 /nfs/dbraw/zinc/91/47/28/1234914728.db2.gz OLWZRNXLJUQLSF-QRWLVFNGSA-N 1 2 334.423 2.413 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C)n[nH]2)C1 ZINC001046917040 1235304117 /nfs/dbraw/zinc/30/41/17/1235304117.db2.gz LXFXSVVEAVEXHT-NSHDSACASA-N 1 2 332.782 2.158 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C)n[nH]2)C1 ZINC001046917040 1235304119 /nfs/dbraw/zinc/30/41/19/1235304119.db2.gz LXFXSVVEAVEXHT-NSHDSACASA-N 1 2 332.782 2.158 20 30 EEEDLO Cc1nc(/C=C2/CN(C)C/C(=C/c3[nH]c(C)c(C)[nH+]3)C2=O)[nH]c1C ZINC000901416434 1235749989 /nfs/dbraw/zinc/74/99/89/1235749989.db2.gz HKRARJKLFMNJFQ-LRSUZXNRSA-N 1 2 325.416 2.348 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)CCOCC1 ZINC001096194459 1236104301 /nfs/dbraw/zinc/10/43/01/1236104301.db2.gz GXRYTOCBQHCLPR-MRXNPFEDSA-N 1 2 344.459 2.243 20 30 EEEDLO Cc1ccc(C(=O)N(C)[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)cc1 ZINC001047608633 1236279885 /nfs/dbraw/zinc/27/98/85/1236279885.db2.gz ZKRFPQKHYLKRSG-SFTDATJTSA-N 1 2 348.446 2.164 20 30 EEEDLO Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)cc1 ZINC001047608633 1236279895 /nfs/dbraw/zinc/27/98/95/1236279895.db2.gz ZKRFPQKHYLKRSG-SFTDATJTSA-N 1 2 348.446 2.164 20 30 EEEDLO Cc1nc(NCc2cccc(C(=O)OCCO[C@@H](C)C#N)c2)cc[nH+]1 ZINC000801856605 1236298849 /nfs/dbraw/zinc/29/88/49/1236298849.db2.gz ZMACEQPZGMKBDW-ZDUSSCGKSA-N 1 2 340.383 2.483 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[NH+]1CCN(c2cc(C(C)C)ncn2)CC1 ZINC001096293291 1237190936 /nfs/dbraw/zinc/19/09/36/1237190936.db2.gz DZZBFUPTKHSZHC-UHFFFAOYSA-N 1 2 345.491 2.050 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCN(c3cc(C)[nH+]c(C4CC4)n3)CC2)c1 ZINC001056017448 1238602132 /nfs/dbraw/zinc/60/21/32/1238602132.db2.gz MRGRGSBZPARYJC-UHFFFAOYSA-N 1 2 347.422 2.001 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001056371625 1239270528 /nfs/dbraw/zinc/27/05/28/1239270528.db2.gz ZNMVHFQKAFHRKU-HOTGVXAUSA-N 1 2 344.459 2.291 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001056487789 1239405540 /nfs/dbraw/zinc/40/55/40/1239405540.db2.gz FJZKZCRDQZEQHP-IAGOWNOFSA-N 1 2 344.459 2.209 20 30 EEEDLO C=CCCCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001067705380 1240936111 /nfs/dbraw/zinc/93/61/11/1240936111.db2.gz ZLHUEDUHFLHTRJ-INIZCTEOSA-N 1 2 346.475 2.109 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2nccn2C)cc1 ZINC001049630628 1241702288 /nfs/dbraw/zinc/70/22/88/1241702288.db2.gz OFKMGZWJDIRJDM-OALUTQOASA-N 1 2 348.450 2.281 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2nccn2C)cc1 ZINC001049630628 1241702297 /nfs/dbraw/zinc/70/22/97/1241702297.db2.gz OFKMGZWJDIRJDM-OALUTQOASA-N 1 2 348.450 2.281 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2cn(CC)nn2)C1 ZINC001049702669 1241924458 /nfs/dbraw/zinc/92/44/58/1241924458.db2.gz MYYYPDHWZIPJAW-IRXDYDNUSA-N 1 2 343.475 2.220 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2cn(CC)nn2)C1 ZINC001049702669 1241924473 /nfs/dbraw/zinc/92/44/73/1241924473.db2.gz MYYYPDHWZIPJAW-IRXDYDNUSA-N 1 2 343.475 2.220 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(C)CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001067918048 1249971185 /nfs/dbraw/zinc/97/11/85/1249971185.db2.gz PTGZDJMBNXZOKG-IBGZPJMESA-N 1 2 348.491 2.262 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001073403642 1242436551 /nfs/dbraw/zinc/43/65/51/1242436551.db2.gz WSXLPQFKLVLUAE-HNNXBMFYSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001073406520 1242443479 /nfs/dbraw/zinc/44/34/79/1242443479.db2.gz YIIFOVMXHVWMPH-AWEZNQCLSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001073466978 1242522372 /nfs/dbraw/zinc/52/23/72/1242522372.db2.gz PKTKUYDJSWEIPX-GOEBONIOSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001073467414 1242523690 /nfs/dbraw/zinc/52/36/90/1242523690.db2.gz WLIRMISJAHCRPE-HOTGVXAUSA-N 1 2 346.475 2.229 20 30 EEEDLO C=CCCCC(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001067925016 1249985504 /nfs/dbraw/zinc/98/55/04/1249985504.db2.gz CVXJFTWGQPGFSJ-UHFFFAOYSA-N 1 2 334.464 2.016 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(=C)Cl)CCCO2)cc1 ZINC001073724491 1242692180 /nfs/dbraw/zinc/69/21/80/1242692180.db2.gz XFTRDBAMSXTBIM-QGZVFWFLSA-N 1 2 332.831 2.241 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=C)Cl)CCCO2)cc1 ZINC001073724491 1242692196 /nfs/dbraw/zinc/69/21/96/1242692196.db2.gz XFTRDBAMSXTBIM-QGZVFWFLSA-N 1 2 332.831 2.241 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cnoc2C2CC2)C1 ZINC001073841879 1242748065 /nfs/dbraw/zinc/74/80/65/1242748065.db2.gz VWCMJWZFAQXJNP-CYBMUJFWSA-N 1 2 339.823 2.125 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cnoc2C2CC2)C1 ZINC001073841879 1242748075 /nfs/dbraw/zinc/74/80/75/1242748075.db2.gz VWCMJWZFAQXJNP-CYBMUJFWSA-N 1 2 339.823 2.125 20 30 EEEDLO N#Cc1cccnc1N[C@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001049932365 1242765833 /nfs/dbraw/zinc/76/58/33/1242765833.db2.gz NQJVFGBMBFSKPK-HNNXBMFYSA-N 1 2 338.415 2.102 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](Nc1cc[nH+]c(C)n1)C1CC1 ZINC001096831043 1243340618 /nfs/dbraw/zinc/34/06/18/1243340618.db2.gz KEGCMJVFFWWNBW-ZOBUZTSGSA-N 1 2 330.432 2.073 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)nn1C ZINC001096855438 1243375594 /nfs/dbraw/zinc/37/55/94/1243375594.db2.gz GWRAYNUXMGXFFY-LMMKCTJWSA-N 1 2 349.438 2.136 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)nn1C ZINC001096855438 1243375599 /nfs/dbraw/zinc/37/55/99/1243375599.db2.gz GWRAYNUXMGXFFY-LMMKCTJWSA-N 1 2 349.438 2.136 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001057402948 1243620539 /nfs/dbraw/zinc/62/05/39/1243620539.db2.gz LCENMUOIBKOISB-UHFFFAOYSA-N 1 2 342.447 2.369 20 30 EEEDLO C=CC(C)(C)C(=O)NC1CCC(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001097637521 1244463479 /nfs/dbraw/zinc/46/34/79/1244463479.db2.gz JNILXKUIHUWWFO-UHFFFAOYSA-N 1 2 342.447 2.415 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccn(C2CCCCC2)n1 ZINC001050916287 1244618925 /nfs/dbraw/zinc/61/89/25/1244618925.db2.gz CKLISVBAXPJSJJ-QGZVFWFLSA-N 1 2 346.475 2.395 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccn(C2CCCCC2)n1 ZINC001050916287 1244618930 /nfs/dbraw/zinc/61/89/30/1244618930.db2.gz CKLISVBAXPJSJJ-QGZVFWFLSA-N 1 2 346.475 2.395 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2cc(C)cn2c1 ZINC001050954703 1244718138 /nfs/dbraw/zinc/71/81/38/1244718138.db2.gz YHKWYBXLRJCTKO-GOSISDBHSA-N 1 2 327.428 2.254 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2cc(C)cn2c1 ZINC001050954703 1244718142 /nfs/dbraw/zinc/71/81/42/1244718142.db2.gz YHKWYBXLRJCTKO-GOSISDBHSA-N 1 2 327.428 2.254 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC001050964083 1244743927 /nfs/dbraw/zinc/74/39/27/1244743927.db2.gz STXQRWAGKSDZFG-OAHLLOKOSA-N 1 2 329.400 2.143 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2nc(C)oc2c1 ZINC001050964083 1244743935 /nfs/dbraw/zinc/74/39/35/1244743935.db2.gz STXQRWAGKSDZFG-OAHLLOKOSA-N 1 2 329.400 2.143 20 30 EEEDLO C=CCCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050992109 1244799913 /nfs/dbraw/zinc/79/99/13/1244799913.db2.gz FNXGTGYBSNRKIY-HUUCEWRRSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050992109 1244799920 /nfs/dbraw/zinc/79/99/20/1244799920.db2.gz FNXGTGYBSNRKIY-HUUCEWRRSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001051044195 1244900693 /nfs/dbraw/zinc/90/06/93/1244900693.db2.gz ZVNDVZGJDHQRQS-HZPDHXFCSA-N 1 2 346.475 2.246 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ncsc1C1CC1 ZINC001051117742 1245000012 /nfs/dbraw/zinc/00/00/12/1245000012.db2.gz IBUNOUDKKALXTM-CQSZACIVSA-N 1 2 335.473 2.417 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ncsc1C1CC1 ZINC001051117742 1245000022 /nfs/dbraw/zinc/00/00/22/1245000022.db2.gz IBUNOUDKKALXTM-CQSZACIVSA-N 1 2 335.473 2.417 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(N2CC=CC2)c1 ZINC001051143239 1245040842 /nfs/dbraw/zinc/04/08/42/1245040842.db2.gz RLOGVUJJYFOBGW-IBGZPJMESA-N 1 2 341.455 2.070 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(N2CC=CC2)c1 ZINC001051143239 1245040853 /nfs/dbraw/zinc/04/08/53/1245040853.db2.gz RLOGVUJJYFOBGW-IBGZPJMESA-N 1 2 341.455 2.070 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ncc(Cl)cc1Cl ZINC001051184904 1245361054 /nfs/dbraw/zinc/36/10/54/1245361054.db2.gz POINNJBULOSUKP-LBPRGKRZSA-N 1 2 344.242 2.395 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ncc(Cl)cc1Cl ZINC001051184904 1245361057 /nfs/dbraw/zinc/36/10/57/1245361057.db2.gz POINNJBULOSUKP-LBPRGKRZSA-N 1 2 344.242 2.395 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc2oc(C)nc21 ZINC001051262998 1245451927 /nfs/dbraw/zinc/45/19/27/1245451927.db2.gz NGKIUTXOIPMSCN-CQSZACIVSA-N 1 2 329.400 2.143 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc2oc(C)nc21 ZINC001051262998 1245451931 /nfs/dbraw/zinc/45/19/31/1245451931.db2.gz NGKIUTXOIPMSCN-CQSZACIVSA-N 1 2 329.400 2.143 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3ccn[nH]3)cccc2C1 ZINC001051280531 1245471437 /nfs/dbraw/zinc/47/14/37/1245471437.db2.gz SSWIWRDIWLRHGF-UHFFFAOYSA-N 1 2 330.819 2.450 20 30 EEEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3ccn[nH]3)cccc2C1 ZINC001051280531 1245471441 /nfs/dbraw/zinc/47/14/41/1245471441.db2.gz SSWIWRDIWLRHGF-UHFFFAOYSA-N 1 2 330.819 2.450 20 30 EEEDLO C#CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101216654 1245529564 /nfs/dbraw/zinc/52/95/64/1245529564.db2.gz IJYZKBMTSRHVFM-BEFAXECRSA-N 1 2 343.475 2.012 20 30 EEEDLO C#CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)C[C@@]2(C)C1 ZINC001101216654 1245529570 /nfs/dbraw/zinc/52/95/70/1245529570.db2.gz IJYZKBMTSRHVFM-BEFAXECRSA-N 1 2 343.475 2.012 20 30 EEEDLO Cc1nc(N(C)C[C@@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001051331038 1245559699 /nfs/dbraw/zinc/55/96/99/1245559699.db2.gz PNGCNOTXXYSGJT-HNNXBMFYSA-N 1 2 338.415 2.116 20 30 EEEDLO Cc1nc(N(CCNC(=O)c2cc(C#N)c[nH]2)C2CC2)c(C)c(C)[nH+]1 ZINC001101311375 1245643599 /nfs/dbraw/zinc/64/35/99/1245643599.db2.gz XAWODQIJHKZVGR-UHFFFAOYSA-N 1 2 338.415 2.000 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nc(C)no3)C[C@@]2(C)C1 ZINC001101338127 1245682578 /nfs/dbraw/zinc/68/25/78/1245682578.db2.gz XURQEQXPWUFVLD-DAYGRLMNSA-N 1 2 332.448 2.261 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C)no3)C[C@@]2(C)C1 ZINC001101338127 1245682583 /nfs/dbraw/zinc/68/25/83/1245682583.db2.gz XURQEQXPWUFVLD-DAYGRLMNSA-N 1 2 332.448 2.261 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCOC2(C[NH+](Cc3cccc4ccccc43)C2)C1 ZINC001053191008 1246030297 /nfs/dbraw/zinc/03/02/97/1246030297.db2.gz JDPSDHNJMBRLQK-MRXNPFEDSA-N 1 2 349.434 2.413 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)C(F)(F)F)c1nccn12 ZINC001101651115 1246083579 /nfs/dbraw/zinc/08/35/79/1246083579.db2.gz KVIOBPRVQBNERO-NSHDSACASA-N 1 2 342.365 2.230 20 30 EEEDLO CC[C@@H](c1ccccc1)[NH+]1CC2(C1)CN(C(=O)C#CC1CC1)CCO2 ZINC001053245692 1246090113 /nfs/dbraw/zinc/09/01/13/1246090113.db2.gz ZBCLXQDNKCFEHS-IBGZPJMESA-N 1 2 338.451 2.464 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)/C=C\c3ccco3)C2)CC1 ZINC001051969579 1246324128 /nfs/dbraw/zinc/32/41/28/1246324128.db2.gz LWJBEYXFLIFBQK-AWFCHZOYSA-N 1 2 349.862 2.264 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1csc(C(C)C)n1)CCO2 ZINC001053472640 1246372045 /nfs/dbraw/zinc/37/20/45/1246372045.db2.gz NONAKPHTTBLWAR-UHFFFAOYSA-N 1 2 335.473 2.369 20 30 EEEDLO CCCc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)s1 ZINC001052036045 1246403095 /nfs/dbraw/zinc/40/30/95/1246403095.db2.gz XWODOEBMRDJLPS-OAHLLOKOSA-N 1 2 346.500 2.056 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCC=CCCC3)C2)CC1 ZINC001052041128 1246410715 /nfs/dbraw/zinc/41/07/15/1246410715.db2.gz SMFZDWNOZMUPGS-WOJBJXKFSA-N 1 2 343.515 2.365 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4C[C@@H]4CC3)C2)CC1 ZINC001052055344 1246426386 /nfs/dbraw/zinc/42/63/86/1246426386.db2.gz LGEFQBDCDNKEMP-IYWMVGAKSA-N 1 2 343.515 2.055 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(Cc3cscn3)CC2)C1 ZINC001052060257 1246431121 /nfs/dbraw/zinc/43/11/21/1246431121.db2.gz AXGICMLYKGBYML-INIZCTEOSA-N 1 2 348.516 2.074 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C)cccc3Cl)C2)CC1 ZINC001052074996 1246450797 /nfs/dbraw/zinc/45/07/97/1246450797.db2.gz QYTHXOCMJLEWEU-MRXNPFEDSA-N 1 2 345.874 2.114 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(N(C)CC)cc1)CCO2 ZINC001053548867 1246462385 /nfs/dbraw/zinc/46/23/85/1246462385.db2.gz IITCYZIVPBWPJH-UHFFFAOYSA-N 1 2 343.471 2.246 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(C)c3Cl)C2)CC1 ZINC001052097985 1246477430 /nfs/dbraw/zinc/47/74/30/1246477430.db2.gz BBFQGWZBODTZOG-MRXNPFEDSA-N 1 2 345.874 2.114 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc4c(c3)CCC=C4)C2)CC1 ZINC001052108160 1246488601 /nfs/dbraw/zinc/48/86/01/1246488601.db2.gz KHCGNZIWIFEXLC-NRFANRHFSA-N 1 2 349.478 2.111 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C)ccc3C)C2)CC1 ZINC001052112217 1246494242 /nfs/dbraw/zinc/49/42/42/1246494242.db2.gz PQWICDAIGOEQQL-LJQANCHMSA-N 1 2 339.483 2.159 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccccc3F)C2)CC1 ZINC001052114795 1246497371 /nfs/dbraw/zinc/49/73/71/1246497371.db2.gz PJAFHXKKHRUXMQ-SFHVURJKSA-N 1 2 345.462 2.163 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCOc3ccccc31)O2 ZINC001053675766 1246629120 /nfs/dbraw/zinc/62/91/20/1246629120.db2.gz RTDZCBKDKSTMLW-WBVHZDCISA-N 1 2 342.439 2.088 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1coc(C3CCCC3)n1)O2 ZINC001053679919 1246634984 /nfs/dbraw/zinc/63/49/84/1246634984.db2.gz RYTIICFUESRELB-HNNXBMFYSA-N 1 2 345.443 2.481 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc3c(s1)CCC3)O2 ZINC001053696173 1246669142 /nfs/dbraw/zinc/66/91/42/1246669142.db2.gz BNLHRGDBADQEBX-CQSZACIVSA-N 1 2 332.469 2.386 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1oc(C(F)F)cc1C)CO2 ZINC001053834620 1246874729 /nfs/dbraw/zinc/87/47/29/1246874729.db2.gz REZCTTLITWQOJW-LBPRGKRZSA-N 1 2 338.354 2.122 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3ccccc3c1C)CO2 ZINC001053872129 1246947255 /nfs/dbraw/zinc/94/72/55/1246947255.db2.gz STFZAQBSKSREQM-MRXNPFEDSA-N 1 2 349.434 2.140 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3c(c1)C[C@@H](C)O3)CO2 ZINC001053955996 1247064712 /nfs/dbraw/zinc/06/47/12/1247064712.db2.gz WSJKQKWMWWLLDF-PBHICJAKSA-N 1 2 342.439 2.159 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c[nH]cc1-c1ccccc1)CO2 ZINC001054007702 1247140952 /nfs/dbraw/zinc/14/09/52/1247140952.db2.gz LGTYVWXUBHRDEO-QGZVFWFLSA-N 1 2 349.434 2.278 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C3CCCC3)no1)CO2 ZINC001054012020 1247145547 /nfs/dbraw/zinc/14/55/47/1247145547.db2.gz VGMRAOSYWFLETF-HNNXBMFYSA-N 1 2 345.443 2.481 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1cccc(OCC)c1)CO2 ZINC001054018564 1247156974 /nfs/dbraw/zinc/15/69/74/1247156974.db2.gz FPRXUSQXBCSJKO-KRWDZBQOSA-N 1 2 344.455 2.163 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cnc4n[nH]c(C)c4c3)cc2C1 ZINC001054291404 1248027685 /nfs/dbraw/zinc/02/76/85/1248027685.db2.gz MFYNYTASLQQVQQ-UHFFFAOYSA-N 1 2 345.406 2.145 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cnc4n[nH]c(C)c4c3)cc2C1 ZINC001054291404 1248027693 /nfs/dbraw/zinc/02/76/93/1248027693.db2.gz MFYNYTASLQQVQQ-UHFFFAOYSA-N 1 2 345.406 2.145 20 30 EEEDLO C[C@@H]1C[C@@H](Nc2cccc(F)c2C#N)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001069078801 1252195755 /nfs/dbraw/zinc/19/57/55/1252195755.db2.gz JRDZRUXMOOQGHZ-CHWSQXEVSA-N 1 2 341.390 2.455 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](Nc2cccc(F)c2C#N)C[C@@H]1C ZINC001069131042 1252315565 /nfs/dbraw/zinc/31/55/65/1252315565.db2.gz YSAMIGLIKKKAQX-WCQYABFASA-N 1 2 341.390 2.373 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H](Nc3cc[nH+]c(C)n3)C(C)(C)C2)nc1 ZINC001069578749 1253033881 /nfs/dbraw/zinc/03/38/81/1253033881.db2.gz YLMLRWCCOOPZEN-MRXNPFEDSA-N 1 2 335.411 2.124 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001070675408 1253722351 /nfs/dbraw/zinc/72/23/51/1253722351.db2.gz ZMOMHSOVQWUPQN-CQSZACIVSA-N 1 2 332.448 2.052 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)c2ccn[nH]2)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC001071368641 1254128421 /nfs/dbraw/zinc/12/84/21/1254128421.db2.gz FNJDBEWXSPUQRV-DOMZBBRYSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)c2ccn[nH]2)C[N@H+]1Cc1ccc(C#N)cc1F ZINC001071368641 1254128426 /nfs/dbraw/zinc/12/84/26/1254128426.db2.gz FNJDBEWXSPUQRV-DOMZBBRYSA-N 1 2 341.390 2.203 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccnn2CC(F)F)CC[C@@H]1C ZINC001071511453 1254301512 /nfs/dbraw/zinc/30/15/12/1254301512.db2.gz MRDACTWPLNCYJP-RYUDHWBXSA-N 1 2 346.809 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccnn2CC(F)F)CC[C@@H]1C ZINC001071511453 1254301520 /nfs/dbraw/zinc/30/15/20/1254301520.db2.gz MRDACTWPLNCYJP-RYUDHWBXSA-N 1 2 346.809 2.483 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)c2cccnn2)C[N@@H+]1Cc1ccccc1C#N ZINC001071928019 1254806066 /nfs/dbraw/zinc/80/60/66/1254806066.db2.gz WTDNIBUHDHCRFO-PBHICJAKSA-N 1 2 335.411 2.131 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)c2cccnn2)C[N@H+]1Cc1ccccc1C#N ZINC001071928019 1254806084 /nfs/dbraw/zinc/80/60/84/1254806084.db2.gz WTDNIBUHDHCRFO-PBHICJAKSA-N 1 2 335.411 2.131 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](CC)[C@@H]3C2)cc1 ZINC001074279865 1256848001 /nfs/dbraw/zinc/84/80/01/1256848001.db2.gz SVDKIQVJBRZNHO-MSOLQXFVSA-N 1 2 330.428 2.187 20 30 EEEDLO 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ZINC001074409964 1256995805 /nfs/dbraw/zinc/99/58/05/1256995805.db2.gz KMHNSAXQFRBZKZ-NRGCRIOASA-N 1 2 330.472 2.282 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C34CCC(CC3)CC4)C[C@@H]21 ZINC001074409964 1256995813 /nfs/dbraw/zinc/99/58/13/1256995813.db2.gz KMHNSAXQFRBZKZ-NRGCRIOASA-N 1 2 330.472 2.282 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccoc3C(C)C)C[C@H]21 ZINC001074413223 1256999227 /nfs/dbraw/zinc/99/92/27/1256999227.db2.gz PWYZHTOEZKWDFS-IAGOWNOFSA-N 1 2 330.428 2.342 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccoc3C(C)C)C[C@H]21 ZINC001074413223 1256999232 /nfs/dbraw/zinc/99/92/32/1256999232.db2.gz PWYZHTOEZKWDFS-IAGOWNOFSA-N 1 2 330.428 2.342 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001075006387 1257253412 /nfs/dbraw/zinc/25/34/12/1257253412.db2.gz LAJQAXANRMYLTO-RDJZCZTQSA-N 1 2 344.459 2.147 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001075007309 1257254019 /nfs/dbraw/zinc/25/40/19/1257254019.db2.gz 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1299999169 /nfs/dbraw/zinc/99/91/69/1299999169.db2.gz MQNRBHAPNKOHGA-UHFFFAOYSA-N 1 2 342.447 2.362 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(CC)nn3)[C@H]2C1 ZINC001223343902 1300095595 /nfs/dbraw/zinc/09/55/95/1300095595.db2.gz CKFKNGOMIOWUEB-JZXOWHBKSA-N 1 2 345.491 2.323 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(CC)nn3)[C@H]2C1 ZINC001223343902 1300095607 /nfs/dbraw/zinc/09/56/07/1300095607.db2.gz CKFKNGOMIOWUEB-JZXOWHBKSA-N 1 2 345.491 2.323 20 30 EEEDLO C=CC(C)(C)C(=O)NCCCN(c1[nH+]cnc2c1cnn2C)C(C)C ZINC001102132285 1300382775 /nfs/dbraw/zinc/38/27/75/1300382775.db2.gz JMOPKTSQSDWQKZ-UHFFFAOYSA-N 1 2 344.463 2.297 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC1CC[NH+](Cc2cn(CC)nn2)CC1 ZINC001224386574 1300573357 /nfs/dbraw/zinc/57/33/57/1300573357.db2.gz RFMMNABLNLSRCP-GOSISDBHSA-N 1 2 333.480 2.229 20 30 EEEDLO CCCN(C(=O)[C@@H](C)C#N)[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001102225564 1300604212 /nfs/dbraw/zinc/60/42/12/1300604212.db2.gz PLGHRPORRZPDEE-LRDDRELGSA-N 1 2 329.448 2.379 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NCC[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102284958 1300737990 /nfs/dbraw/zinc/73/79/90/1300737990.db2.gz XTZDPNLZOAUCDC-GDBMZVCRSA-N 1 2 332.448 2.099 20 30 EEEDLO Cc1cc(N2CC[C@H](CCNC(=O)[C@@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001102302464 1300777208 /nfs/dbraw/zinc/77/72/08/1300777208.db2.gz VNNFIYMWOSZOLV-JSGCOSHPSA-N 1 2 327.432 2.155 20 30 EEEDLO Cn1cc(C[N@@H+]2CCC23CN(c2ccc(F)c(C#N)c2)C3)cc1C#N ZINC001277034890 1300968076 /nfs/dbraw/zinc/96/80/76/1300968076.db2.gz BYOHLUQQNYDYMW-UHFFFAOYSA-N 1 2 335.386 2.372 20 30 EEEDLO Cn1cc(C[N@H+]2CCC23CN(c2ccc(F)c(C#N)c2)C3)cc1C#N ZINC001277034890 1300968080 /nfs/dbraw/zinc/96/80/80/1300968080.db2.gz BYOHLUQQNYDYMW-UHFFFAOYSA-N 1 2 335.386 2.372 20 30 EEEDLO C=CCCC(=O)N(C)CC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC001102414297 1301006546 /nfs/dbraw/zinc/00/65/46/1301006546.db2.gz WHFNJJHOKACDHH-UHFFFAOYSA-N 1 2 344.434 2.244 20 30 EEEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc(Cl)nc4cc(F)ccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226368778 1301380951 /nfs/dbraw/zinc/38/09/51/1301380951.db2.gz CALKEAMJBQDSGK-UBYSCORNSA-N 1 2 335.766 2.414 20 30 EEEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nc(Cl)nc4cc(F)ccc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226368778 1301380963 /nfs/dbraw/zinc/38/09/63/1301380963.db2.gz CALKEAMJBQDSGK-UBYSCORNSA-N 1 2 335.766 2.414 20 30 EEEDLO COc1ccc(Br)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001226549921 1301456104 /nfs/dbraw/zinc/45/61/04/1301456104.db2.gz LLZOKLVMYNAWAG-HJTUNCCVSA-N 1 2 340.217 2.449 20 30 EEEDLO COc1ccc(Br)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001226549921 1301456109 /nfs/dbraw/zinc/45/61/09/1301456109.db2.gz LLZOKLVMYNAWAG-HJTUNCCVSA-N 1 2 340.217 2.449 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001102734956 1301517538 /nfs/dbraw/zinc/51/75/38/1301517538.db2.gz MVQHKOICVVTQFU-CYBMUJFWSA-N 1 2 342.447 2.003 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(CC)[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102816693 1301691599 /nfs/dbraw/zinc/69/15/99/1301691599.db2.gz WRDSKJUOROTAET-IBGZPJMESA-N 1 2 348.450 2.436 20 30 EEEDLO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001227886624 1301998074 /nfs/dbraw/zinc/99/80/74/1301998074.db2.gz CPRZIIQECFMLQY-IAGOWNOFSA-N 1 2 337.427 2.126 20 30 EEEDLO COc1cc([C@H]2OC[C@H](C)O2)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001228231389 1302165873 /nfs/dbraw/zinc/16/58/73/1302165873.db2.gz XCJLXCYJZVAMLG-WTFDYMLESA-N 1 2 347.411 2.120 20 30 EEEDLO COc1cc([C@H]2OC[C@H](C)O2)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001228231389 1302165878 /nfs/dbraw/zinc/16/58/78/1302165878.db2.gz XCJLXCYJZVAMLG-WTFDYMLESA-N 1 2 347.411 2.120 20 30 EEEDLO C#CCOCCC(=O)NC[C@H](CC)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001103192603 1302432420 /nfs/dbraw/zinc/43/24/20/1302432420.db2.gz ARVKFAFZDCKYMX-HNNXBMFYSA-N 1 2 332.448 2.255 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC1CC[NH+](Cc2cn(CC3CC3)nn2)CC1 ZINC001228810034 1302459907 /nfs/dbraw/zinc/45/99/07/1302459907.db2.gz PGFNKJFNHXEVOS-OAHLLOKOSA-N 1 2 345.491 2.371 20 30 EEEDLO Cc1cc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)Nc3cc(C)ccc3C#N)C2)n[nH]1 ZINC001277350049 1302575425 /nfs/dbraw/zinc/57/54/25/1302575425.db2.gz YEDGYDIJLBRBIS-DNVCBOLYSA-N 1 2 335.411 2.359 20 30 EEEDLO Cc1cc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)Nc3cc(C)ccc3C#N)C2)n[nH]1 ZINC001277350049 1302575436 /nfs/dbraw/zinc/57/54/36/1302575436.db2.gz YEDGYDIJLBRBIS-DNVCBOLYSA-N 1 2 335.411 2.359 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@@H](CC)Nc1[nH+]cnc2c1cnn2C ZINC001103287236 1302652723 /nfs/dbraw/zinc/65/27/23/1302652723.db2.gz GPFYCZHTDKRGCG-CHWSQXEVSA-N 1 2 330.436 2.272 20 30 EEEDLO CC[C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)Nc1ccc(C#N)cn1 ZINC001103377141 1302866581 /nfs/dbraw/zinc/86/65/81/1302866581.db2.gz ZLURQBYZYKGKBZ-OAHLLOKOSA-N 1 2 340.431 2.200 20 30 EEEDLO Cc1nc(OC[C@H]2COCO2)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229766896 1302939747 /nfs/dbraw/zinc/93/97/47/1302939747.db2.gz VYZKRKWQXPATIV-OAHLLOKOSA-N 1 2 336.351 2.328 20 30 EEEDLO C#Cc1ccc(C(=O)NCCC2CCN(c3cc[nH+]c(C)n3)CC2)cn1 ZINC001103689646 1303230942 /nfs/dbraw/zinc/23/09/42/1303230942.db2.gz SFEJQYIUPWIUCF-UHFFFAOYSA-N 1 2 349.438 2.198 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)F ZINC001230596230 1303302918 /nfs/dbraw/zinc/30/29/18/1303302918.db2.gz WEZHDRWRMAVGQP-HNNXBMFYSA-N 1 2 333.407 2.348 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)F ZINC001230596230 1303302924 /nfs/dbraw/zinc/30/29/24/1303302924.db2.gz WEZHDRWRMAVGQP-HNNXBMFYSA-N 1 2 333.407 2.348 20 30 EEEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC1CCC(C)CC1 ZINC001231121518 1303639708 /nfs/dbraw/zinc/63/97/08/1303639708.db2.gz FAYJGEBSTBDBSE-JCYILVPMSA-N 1 2 335.492 2.180 20 30 EEEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC1CCC(C)CC1 ZINC001231121518 1303639713 /nfs/dbraw/zinc/63/97/13/1303639713.db2.gz FAYJGEBSTBDBSE-JCYILVPMSA-N 1 2 335.492 2.180 20 30 EEEDLO 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1303813448 /nfs/dbraw/zinc/81/34/48/1303813448.db2.gz UZPCHKGKFQTLFR-LPHOPBHVSA-N 1 2 343.475 2.133 20 30 EEEDLO C[C@]1(c2ccccc2F)NC(=O)N(C[NH+]2CCC(CC#N)CC2)C1=O ZINC000781571274 1303820226 /nfs/dbraw/zinc/82/02/26/1303820226.db2.gz AIKUGLIKAGIDSK-GOSISDBHSA-N 1 2 344.390 2.176 20 30 EEEDLO CCc1cnc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)C)C2)o1 ZINC001111735818 1303823254 /nfs/dbraw/zinc/82/32/54/1303823254.db2.gz QMBNDPNBJDCPGA-KXBFYZLASA-N 1 2 329.444 2.367 20 30 EEEDLO CCc1cnc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)C)C2)o1 ZINC001111735818 1303823257 /nfs/dbraw/zinc/82/32/57/1303823257.db2.gz QMBNDPNBJDCPGA-KXBFYZLASA-N 1 2 329.444 2.367 20 30 EEEDLO Cc1nnc([C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)s1 ZINC001111740526 1303830767 /nfs/dbraw/zinc/83/07/67/1303830767.db2.gz BFYSDVUPXRTZGL-MRAWALMUSA-N 1 2 344.484 2.292 20 30 EEEDLO Cc1nnc([C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC3CC3)C2)s1 ZINC001111740526 1303830774 /nfs/dbraw/zinc/83/07/74/1303830774.db2.gz 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/nfs/dbraw/zinc/72/24/85/1316722485.db2.gz SESQPALPNQIPLB-GFCCVEGCSA-N 1 2 341.253 2.134 20 30 EEEDLO C=CCOC[C@@H]1C[N@@H+](C[C@@H](O)CCCC)Cc2nnn(CC3CC3)c21 ZINC001252091115 1317553332 /nfs/dbraw/zinc/55/33/32/1317553332.db2.gz VDUCQOCABRMWDC-IRXDYDNUSA-N 1 2 348.491 2.341 20 30 EEEDLO C=CCOC[C@@H]1C[N@H+](C[C@@H](O)CCCC)Cc2nnn(CC3CC3)c21 ZINC001252091115 1317553337 /nfs/dbraw/zinc/55/33/37/1317553337.db2.gz VDUCQOCABRMWDC-IRXDYDNUSA-N 1 2 348.491 2.341 20 30 EEEDLO Cc1cccc(C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c1C ZINC001278675463 1317652825 /nfs/dbraw/zinc/65/28/25/1317652825.db2.gz XXGBVJGTKMCADB-UHFFFAOYSA-N 1 2 348.450 2.472 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1nc(C)c[nH]1 ZINC001155731132 1317716895 /nfs/dbraw/zinc/71/68/95/1317716895.db2.gz QUMMGHQZVNHXJD-LLVKDONJSA-N 1 2 329.242 2.067 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1nc(C)c[nH]1 ZINC001155731132 1317716900 /nfs/dbraw/zinc/71/69/00/1317716900.db2.gz QUMMGHQZVNHXJD-LLVKDONJSA-N 1 2 329.242 2.067 20 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ZINC001157213880 1318493391 /nfs/dbraw/zinc/49/33/91/1318493391.db2.gz VDMPNNPWDVBVCD-HUUCEWRRSA-N 1 2 349.475 2.471 20 30 EEEDLO N#Cc1ccc(O)c(C[NH+]2CC3(CN(C(=O)Nc4cccnc4)C3)C2)c1 ZINC001278894031 1318559803 /nfs/dbraw/zinc/55/98/03/1318559803.db2.gz LSVFCTVQGJBING-UHFFFAOYSA-N 1 2 349.394 2.009 20 30 EEEDLO C[NH+](C)Cc1nc(CSCCNc2nccnc2C#N)cs1 ZINC001157332961 1318569242 /nfs/dbraw/zinc/56/92/42/1318569242.db2.gz QEOLMNJKZAXJSJ-UHFFFAOYSA-N 1 2 334.474 2.212 20 30 EEEDLO CCOC(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC001256038500 1318613213 /nfs/dbraw/zinc/61/32/13/1318613213.db2.gz QWOQPUQZCACBCG-HNNXBMFYSA-N 1 2 346.406 2.050 20 30 EEEDLO Cc1conc1C[N@H+](C)C[C@H]1CCCCN1C(=O)CSCC#N ZINC001157573860 1318722249 /nfs/dbraw/zinc/72/22/49/1318722249.db2.gz QMWCBORZLGUZAP-CQSZACIVSA-N 1 2 336.461 2.053 20 30 EEEDLO Cc1conc1C[N@@H+](C)C[C@H]1CCCCN1C(=O)CSCC#N ZINC001157573860 1318722252 /nfs/dbraw/zinc/72/22/52/1318722252.db2.gz QMWCBORZLGUZAP-CQSZACIVSA-N 1 2 336.461 2.053 20 30 EEEDLO C[C@H](C#N)C(=O)NCCC1=CC[N@H+](Cc2nc3c(o2)CCCC3)CC1 ZINC001159587260 1319902857 /nfs/dbraw/zinc/90/28/57/1319902857.db2.gz LSOPPWJGJSVXLO-CQSZACIVSA-N 1 2 342.443 2.351 20 30 EEEDLO C[C@H](C#N)C(=O)NCCC1=CC[N@@H+](Cc2nc3c(o2)CCCC3)CC1 ZINC001159587260 1319902863 /nfs/dbraw/zinc/90/28/63/1319902863.db2.gz LSOPPWJGJSVXLO-CQSZACIVSA-N 1 2 342.443 2.351 20 30 EEEDLO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(Cl)nc2[nH]cnc21 ZINC001159921472 1320022054 /nfs/dbraw/zinc/02/20/54/1320022054.db2.gz VXPTWHAGAOZQHJ-JTQLQIEISA-N 1 2 337.811 2.250 20 30 EEEDLO C#CCCCC(=O)NCCC1(C[NH2+]Cc2nnsc2Cl)CC1 ZINC001164297907 1321342786 /nfs/dbraw/zinc/34/27/86/1321342786.db2.gz UPMUJDOGRPBCQM-UHFFFAOYSA-N 1 2 340.880 2.371 20 30 EEEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1nc(Cl)c2cc(F)ccc2n1 ZINC001164641242 1321439669 /nfs/dbraw/zinc/43/96/69/1321439669.db2.gz IBWYXCXWNVSLSF-SECBINFHSA-N 1 2 341.724 2.269 20 30 EEEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(O)c(O)c1)CCC2 ZINC001203877780 1321980327 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2.276 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2nnc(CC)o2)C[C@H]1C ZINC001208374484 1324459724 /nfs/dbraw/zinc/45/97/24/1324459724.db2.gz KQBTYUPRXJVRKC-QLFBSQMISA-N 1 2 332.448 2.323 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2nnc(CC)o2)C[C@H]1C ZINC001208374484 1324459726 /nfs/dbraw/zinc/45/97/26/1324459726.db2.gz KQBTYUPRXJVRKC-QLFBSQMISA-N 1 2 332.448 2.323 20 30 EEEDLO C=CCN(CC[NH+]1CCN(c2ncc(C)s2)CC1)C(=O)OCC ZINC001209022217 1324767186 /nfs/dbraw/zinc/76/71/86/1324767186.db2.gz JKNSCRURFOZBIB-UHFFFAOYSA-N 1 2 338.477 2.218 20 30 EEEDLO C=CCCC1(C(=O)N2CCC[C@@H]([NH2+]Cc3nc(COC)no3)C2)CC1 ZINC001209465862 1324939674 /nfs/dbraw/zinc/93/96/74/1324939674.db2.gz VNKHYTFEZBAQCN-CQSZACIVSA-N 1 2 348.447 2.043 20 30 EEEDLO C=CCCC1(C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(CC)o3)C2)CC1 ZINC001209493088 1324947789 /nfs/dbraw/zinc/94/77/89/1324947789.db2.gz IZKAXEVXRCVXDY-CQSZACIVSA-N 1 2 332.448 2.459 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001296655423 1329907545 /nfs/dbraw/zinc/90/75/45/1329907545.db2.gz HCXGYVNYFNLCQH-CABCVRRESA-N 1 2 346.475 2.298 20 30 EEEDLO NS(=O)(=O)c1ccc(N[NH+]=Cc2ccc(N3CCCC3)cc2)cc1 ZINC001317837137 1332425576 /nfs/dbraw/zinc/42/55/76/1332425576.db2.gz UZKZXHGELYWRPO-UHFFFAOYSA-N 1 2 344.440 2.380 20 30 EEEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1ccc(Br)cc1F ZINC001319551900 1332720235 /nfs/dbraw/zinc/72/02/35/1332720235.db2.gz HZHRYZMZPFENEO-UHFFFAOYSA-N 1 2 343.196 2.108 20 30 EEEDLO C#CCOCC[N@H+](C)CC(=O)Nc1ccc(Br)cc1F ZINC001319551900 1332720240 /nfs/dbraw/zinc/72/02/40/1332720240.db2.gz HZHRYZMZPFENEO-UHFFFAOYSA-N 1 2 343.196 2.108 20 30 EEEDLO C=CC[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1)C(=O)OCC ZINC001320424739 1332880735 /nfs/dbraw/zinc/88/07/35/1332880735.db2.gz PWRWVZFPLIBEIB-IAGOWNOFSA-N 1 2 345.443 2.060 20 30 EEEDLO C=CC[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1)C(=O)OCC ZINC001320424739 1332880736 /nfs/dbraw/zinc/88/07/36/1332880736.db2.gz PWRWVZFPLIBEIB-IAGOWNOFSA-N 1 2 345.443 2.060 20 30 EEEDLO C=CC[C@H]([NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)C(=O)OCC ZINC001324429448 1333681521 /nfs/dbraw/zinc/68/15/21/1333681521.db2.gz TWMARCIIKDQLIM-QWQRMKEZSA-N 1 2 338.448 2.341 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H](OC(C)C)C1 ZINC001339090524 1336957398 /nfs/dbraw/zinc/95/73/98/1336957398.db2.gz AYACYMMIIZXGTH-HNNXBMFYSA-N 1 2 344.463 2.182 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC001340297593 1337154028 /nfs/dbraw/zinc/15/40/28/1337154028.db2.gz PEQOWNFZAHOXJH-RDJZCZTQSA-N 1 2 345.491 2.454 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC001340297592 1337154301 /nfs/dbraw/zinc/15/43/01/1337154301.db2.gz PEQOWNFZAHOXJH-NVXWUHKLSA-N 1 2 345.491 2.454 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@H]1C ZINC001340315704 1337157822 /nfs/dbraw/zinc/15/78/22/1337157822.db2.gz JAEPSRGHRKINNU-PMPSAXMXSA-N 1 2 331.464 2.379 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@H]1C ZINC001340315704 1337157823 /nfs/dbraw/zinc/15/78/23/1337157823.db2.gz JAEPSRGHRKINNU-PMPSAXMXSA-N 1 2 331.464 2.379 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(C)C[C@@H]1CC1(C)C ZINC001340451622 1337187391 /nfs/dbraw/zinc/18/73/91/1337187391.db2.gz ZITFDCZFFNBZEM-INIZCTEOSA-N 1 2 347.507 2.151 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CCC#N)n2CC(=C)C)CC1 ZINC001342950902 1337325037 /nfs/dbraw/zinc/32/50/37/1337325037.db2.gz LRYFOPYLUUIHOE-INIZCTEOSA-N 1 2 326.448 2.017 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3occc3-c3ccccc3)n2C)CC1 ZINC001350253218 1337686629 /nfs/dbraw/zinc/68/66/29/1337686629.db2.gz LKYPCYPQVIWGRN-UHFFFAOYSA-N 1 2 347.422 2.497 20 30 EEEDLO CCCC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C[C@@H]2O)CC1 ZINC001100003052 1337928475 /nfs/dbraw/zinc/92/84/75/1337928475.db2.gz ACXYMXVCRBYVKR-MSOLQXFVSA-N 1 2 341.455 2.190 20 30 EEEDLO CCCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@@H]2O)CC1 ZINC001100003052 1337928478 /nfs/dbraw/zinc/92/84/78/1337928478.db2.gz 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1372513058 /nfs/dbraw/zinc/51/30/58/1372513058.db2.gz ILOGYAKLMRYPSN-CABCVRRESA-N 1 2 349.406 2.157 20 30 EEEDLO COC(=O)[C@H]1COCCC12C[NH+](Cc1cc(C#N)ccc1Cl)C2 ZINC001140602675 1372613816 /nfs/dbraw/zinc/61/38/16/1372613816.db2.gz NVCWXPYAQZZKLZ-CQSZACIVSA-N 1 2 334.803 2.223 20 30 EEEDLO CC#CCCCC(=O)NCC1CC([NH2+]Cc2noc(C(C)C)n2)C1 ZINC001100590314 1373088358 /nfs/dbraw/zinc/08/83/58/1373088358.db2.gz UHIHKRUKNAGRQB-UHFFFAOYSA-N 1 2 332.448 2.371 20 30 EEEDLO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC001364360098 1373596910 /nfs/dbraw/zinc/59/69/10/1373596910.db2.gz WMOJURSKVDVPSV-QGZVFWFLSA-N 1 2 345.349 2.440 20 30 EEEDLO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC001364360098 1373596914 /nfs/dbraw/zinc/59/69/14/1373596914.db2.gz WMOJURSKVDVPSV-QGZVFWFLSA-N 1 2 345.349 2.440 20 30 EEEDLO CC(C)c1ccc([C@H](C)[NH+]2CC(O)(CNC(=O)[C@H](C)C#N)C2)cc1 ZINC001368292414 1374362444 /nfs/dbraw/zinc/36/24/44/1374362444.db2.gz YLBWHYJRFMCVIF-CABCVRRESA-N 1 2 329.444 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EEEDLO C=C[C@](C)(O)CC(=O)N[C@H](C)C1C[NH+](Cc2ccc(F)cc2F)C1 ZINC001755375596 1407380089 /nfs/dbraw/zinc/38/00/89/1407380089.db2.gz XJWPZSUWDQTUEO-XIKOKIGWSA-N 1 2 338.398 2.228 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(OC)nn2)C1 ZINC001755383424 1407389134 /nfs/dbraw/zinc/38/91/34/1407389134.db2.gz IJQUQINTDGOLCU-UONOGXRCSA-N 1 2 332.448 2.024 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H](C)[NH2+]Cc2nnc(C3CC3)o2)cc1 ZINC001755598442 1407669174 /nfs/dbraw/zinc/66/91/74/1407669174.db2.gz HCQMUXPPJXTXGZ-ZDUSSCGKSA-N 1 2 338.411 2.179 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@@H]([NH2+]Cc2nc(CC3CC3)no2)C[C@@H]1C ZINC001755674406 1407722368 /nfs/dbraw/zinc/72/23/68/1407722368.db2.gz FONAEWHMHHLCLC-ZFWWWQNUSA-N 1 2 332.448 2.457 20 30 EEEDLO CCCc1noc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C#CC(C)(C)C)C2)n1 ZINC001755678441 1407725757 /nfs/dbraw/zinc/72/57/57/1407725757.db2.gz KGVDJVGVXYBKDH-UONOGXRCSA-N 1 2 332.448 2.151 20 30 EEEDLO C[C@H]1[C@H](NC(=O)C#CC2CC2)CCC[N@@H+]1CC(=O)Nc1ccccc1 ZINC001755725126 1407786438 /nfs/dbraw/zinc/78/64/38/1407786438.db2.gz CPJYIQIRKCWOKH-MAUKXSAKSA-N 1 2 339.439 2.008 20 30 EEEDLO C[C@H]1[C@H](NC(=O)C#CC2CC2)CCC[N@H+]1CC(=O)Nc1ccccc1 ZINC001755725126 1407786440 /nfs/dbraw/zinc/78/64/40/1407786440.db2.gz CPJYIQIRKCWOKH-MAUKXSAKSA-N 1 2 339.439 2.008 20 30 EEEDLO C=CCC1(C(=O)N[C@H](C)[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001755975883 1408045254 /nfs/dbraw/zinc/04/52/54/1408045254.db2.gz BDSNXOGHEGCEAH-UONOGXRCSA-N 1 2 332.448 2.098 20 30 EEEDLO C=CCC1(C(=O)NC[C@H](C)N(C)C(=O)Cc2c[nH+]cn2C)CCCC1 ZINC001756045866 1408104080 /nfs/dbraw/zinc/10/40/80/1408104080.db2.gz IRPLDDSBJOPBHE-HNNXBMFYSA-N 1 2 346.475 2.062 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H](CCCC)NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001756117207 1408149058 /nfs/dbraw/zinc/14/90/58/1408149058.db2.gz COMFMSTZCOZUCG-MRXNPFEDSA-N 1 2 346.475 2.490 20 30 EEEDLO C=C(C)CCC(=O)N[C@H](C)C1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001756145703 1408175901 /nfs/dbraw/zinc/17/59/01/1408175901.db2.gz GIJQIHCIFLBGDW-HUUCEWRRSA-N 1 2 332.448 2.154 20 30 EEEDLO C=C(C)CCC(=O)N1CC2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001756237113 1408246548 /nfs/dbraw/zinc/24/65/48/1408246548.db2.gz BMNWWRGVRWGHSD-UHFFFAOYSA-N 1 2 344.459 2.150 20 30 EEEDLO C=C(C)CCC(=O)N1CC2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001756237113 1408246552 /nfs/dbraw/zinc/24/65/52/1408246552.db2.gz BMNWWRGVRWGHSD-UHFFFAOYSA-N 1 2 344.459 2.150 20 30 EEEDLO C=C(C)CCC(=O)N[C@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001756467860 1408644954 /nfs/dbraw/zinc/64/49/54/1408644954.db2.gz BCLYXIRLYBDKGK-CYBMUJFWSA-N 1 2 328.416 2.496 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H](C)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001756475858 1408722716 /nfs/dbraw/zinc/72/27/16/1408722716.db2.gz MDDGNBALNIISLA-CABCVRRESA-N 1 2 346.475 2.011 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001756643820 1409177924 /nfs/dbraw/zinc/17/79/24/1409177924.db2.gz HLLUZMGBCGAWTL-GJZGRUSLSA-N 1 2 346.475 2.346 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001756643820 1409177928 /nfs/dbraw/zinc/17/79/28/1409177928.db2.gz HLLUZMGBCGAWTL-GJZGRUSLSA-N 1 2 346.475 2.346 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001756798727 1409341812 /nfs/dbraw/zinc/34/18/12/1409341812.db2.gz CUBDWYAQSSBMBV-KBPBESRZSA-N 1 2 332.448 2.050 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CCC1 ZINC001756798816 1409342289 /nfs/dbraw/zinc/34/22/89/1409342289.db2.gz FBFSVIZVNLAXPG-GJZGRUSLSA-N 1 2 344.459 2.194 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[C@H]1C ZINC001756798728 1409342368 /nfs/dbraw/zinc/34/23/68/1409342368.db2.gz CUBDWYAQSSBMBV-KGLIPLIRSA-N 1 2 332.448 2.050 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001756813676 1409360834 /nfs/dbraw/zinc/36/08/34/1409360834.db2.gz WMELVIRGVYMNTD-GJZGRUSLSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001757288559 1409624677 /nfs/dbraw/zinc/62/46/77/1409624677.db2.gz OCERKKSFKLXCQQ-LSDHHAIUSA-N 1 2 332.448 2.106 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001757533649 1409751516 /nfs/dbraw/zinc/75/15/16/1409751516.db2.gz KLUCSSQYHHOARP-OAGGEKHMSA-N 1 2 346.475 2.061 20 30 EEEDLO CC1(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]2O)CC1 ZINC001100058843 1410582807 /nfs/dbraw/zinc/58/28/07/1410582807.db2.gz ABXVLLQDSGFNAK-ZWKOTPCHSA-N 1 2 341.455 2.190 20 30 EEEDLO CC1(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]2O)CC1 ZINC001100058843 1410582811 /nfs/dbraw/zinc/58/28/11/1410582811.db2.gz ABXVLLQDSGFNAK-ZWKOTPCHSA-N 1 2 341.455 2.190 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cnn(CC)n1)C2 ZINC001111848959 1410852356 /nfs/dbraw/zinc/85/23/56/1410852356.db2.gz YYGJHLLGWVPPNA-BXWFABGCSA-N 1 2 345.491 2.371 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cnn(CC)n1)C2 ZINC001111848959 1410852366 /nfs/dbraw/zinc/85/23/66/1410852366.db2.gz YYGJHLLGWVPPNA-BXWFABGCSA-N 1 2 345.491 2.371 20 30 EEEDLO C#CCCCCC(=O)NCCOCCN(C)c1nc(C)[nH+]c(C)c1C ZINC001115191680 1410987675 /nfs/dbraw/zinc/98/76/75/1410987675.db2.gz SPBDGCUEZCWWLH-UHFFFAOYSA-N 1 2 346.475 2.164 20 30 EEEDLO C=C(C)CCC(=O)NCCOCCN(C)c1nc(C)[nH+]c(C)c1C ZINC001115229616 1410995951 /nfs/dbraw/zinc/99/59/51/1410995951.db2.gz AKMVCYBYAKNQTP-UHFFFAOYSA-N 1 2 334.464 2.327 20 30 EEEDLO CC[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001211879680 782297659 /nfs/dbraw/zinc/29/76/59/782297659.db2.gz AOUJFBHWQPBUMC-CSMYWGQOSA-N 1 2 333.407 2.059 20 30 EEEDLO CC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001211879680 782297663 /nfs/dbraw/zinc/29/76/63/782297663.db2.gz AOUJFBHWQPBUMC-CSMYWGQOSA-N 1 2 333.407 2.059 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC1(NC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001063174795 790302754 /nfs/dbraw/zinc/30/27/54/790302754.db2.gz FNKUQCIKHAJWNX-UHFFFAOYSA-N 1 2 346.475 2.421 20 30 EEEDLO Cc1nsc(NC[C@H](C)N(C)C(=O)CCCn2cc[nH+]c2)c1C#N ZINC001104603773 762034029 /nfs/dbraw/zinc/03/40/29/762034029.db2.gz JUTKRISMHIMLLQ-LBPRGKRZSA-N 1 2 346.460 2.259 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CCC(C)C)NC(C)=O)C1 ZINC001211495150 757090097 /nfs/dbraw/zinc/09/00/97/757090097.db2.gz GDUQCRKXZSZGRH-UHOFOFEASA-N 1 2 343.899 2.116 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CCC(C)C)NC(C)=O)C1 ZINC001211495150 757090104 /nfs/dbraw/zinc/09/01/04/757090104.db2.gz GDUQCRKXZSZGRH-UHOFOFEASA-N 1 2 343.899 2.116 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)c3ccc(CC)cc3)[C@H]2C1 ZINC001083191070 757184193 /nfs/dbraw/zinc/18/41/93/757184193.db2.gz KJXHXAPRBIPVHL-FFZOFVMBSA-N 1 2 340.467 2.287 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)c3ccc(CC)cc3)[C@H]2C1 ZINC001083191070 757184197 /nfs/dbraw/zinc/18/41/97/757184197.db2.gz KJXHXAPRBIPVHL-FFZOFVMBSA-N 1 2 340.467 2.287 20 30 EEEDLO CCCCc1noc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H](C)C#N)n1 ZINC001087136374 759350277 /nfs/dbraw/zinc/35/02/77/759350277.db2.gz RVFSIGUXHTUYFY-KFWWJZLASA-N 1 2 347.463 2.289 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001098556985 759996337 /nfs/dbraw/zinc/99/63/37/759996337.db2.gz JCTBXRSEGVBROW-CQSZACIVSA-N 1 2 346.479 2.109 20 30 EEEDLO N#CCN1CCC[C@@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001075457255 760813775 /nfs/dbraw/zinc/81/37/75/760813775.db2.gz OAERPBKMSBEZBF-QGZVFWFLSA-N 1 2 343.475 2.137 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnns3)[C@H](C)C2)cc1 ZINC000947611180 761416777 /nfs/dbraw/zinc/41/67/77/761416777.db2.gz ICIHYXGBESZZRA-CZUORRHYSA-N 1 2 340.452 2.302 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnns3)[C@H](C)C2)cc1 ZINC000947611180 761416782 /nfs/dbraw/zinc/41/67/82/761416782.db2.gz ICIHYXGBESZZRA-CZUORRHYSA-N 1 2 340.452 2.302 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC(C)(C)c3ccc(C)cc3)[C@H]2C1 ZINC001083269035 761504000 /nfs/dbraw/zinc/50/40/00/761504000.db2.gz IHHAELUPOHMIMJ-RBUKOAKNSA-N 1 2 340.467 2.208 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC(C)(C)c3ccc(C)cc3)[C@H]2C1 ZINC001083269035 761504004 /nfs/dbraw/zinc/50/40/04/761504004.db2.gz IHHAELUPOHMIMJ-RBUKOAKNSA-N 1 2 340.467 2.208 20 30 EEEDLO Cc1nc(NC[C@H](C)N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)ccc1C#N ZINC001104624915 764559252 /nfs/dbraw/zinc/55/92/52/764559252.db2.gz SVWQXPZRILCSSH-LBPRGKRZSA-N 1 2 340.431 2.221 20 30 EEEDLO Cc1nc(NC[C@@H](C)N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)ccc1C#N ZINC001104624914 764559848 /nfs/dbraw/zinc/55/98/48/764559848.db2.gz SVWQXPZRILCSSH-GFCCVEGCSA-N 1 2 340.431 2.221 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N(C)[C@H](C)CNc3ccc(C#N)nc3)ccn12 ZINC001104688103 764744086 /nfs/dbraw/zinc/74/40/86/764744086.db2.gz YROJURDCCWXBRU-CYBMUJFWSA-N 1 2 348.410 2.482 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1Cc1csnn1 ZINC001087381338 765000503 /nfs/dbraw/zinc/00/05/03/765000503.db2.gz HCYBZKJANQETCD-XZDPQHSOSA-N 1 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Cc1cn(C(C)(C)C(=O)N(C)[C@H](C)CNc2ccc(C#N)cn2)c[nH+]1 ZINC001104864444 765454648 /nfs/dbraw/zinc/45/46/48/765454648.db2.gz IMVOPMOPEOWVCW-CQSZACIVSA-N 1 2 340.431 2.152 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H](CC(C)C)NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001104957512 765667793 /nfs/dbraw/zinc/66/77/93/765667793.db2.gz XFSNWMLDNBGGLV-HNNXBMFYSA-N 1 2 340.431 2.170 20 30 EEEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)[C@@H](C)C1 ZINC000942555674 782723395 /nfs/dbraw/zinc/72/33/95/782723395.db2.gz NZUCQDKKBKYBSN-XJKSGUPXSA-N 1 2 325.416 2.098 20 30 EEEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)[C@@H](C)C1 ZINC000942555674 782723401 /nfs/dbraw/zinc/72/34/01/782723401.db2.gz NZUCQDKKBKYBSN-XJKSGUPXSA-N 1 2 325.416 2.098 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001089441668 769235462 /nfs/dbraw/zinc/23/54/62/769235462.db2.gz NZQZJJBVLXWKBO-UONOGXRCSA-N 1 2 345.491 2.372 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001089441668 769235464 /nfs/dbraw/zinc/23/54/64/769235464.db2.gz NZQZJJBVLXWKBO-UONOGXRCSA-N 1 2 345.491 2.372 20 30 EEEDLO C=CCCCC(=O)N[C@H](C)C[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001089450975 769349860 /nfs/dbraw/zinc/34/98/60/769349860.db2.gz BLORDHFVCBRWIJ-CHWSQXEVSA-N 1 2 330.436 2.415 20 30 EEEDLO CC(C)[C@@H](CNC(=O)c1cccc2[nH+]ccn21)Nc1ccc(C#N)nc1 ZINC001105250743 769467977 /nfs/dbraw/zinc/46/79/77/769467977.db2.gz VYZVLPWRTHMWHS-MRXNPFEDSA-N 1 2 348.410 2.467 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001105292911 769608407 /nfs/dbraw/zinc/60/84/07/769608407.db2.gz GSPCYNKOXZKDJR-ZOBUZTSGSA-N 1 2 332.448 2.319 20 30 EEEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)CCC=C(C)C)C2)nn1 ZINC001105334270 769775253 /nfs/dbraw/zinc/77/52/53/769775253.db2.gz AAGLAMUUPDCKRZ-INIZCTEOSA-N 1 2 343.475 2.157 20 30 EEEDLO N#Cc1ccc(C(=O)NCC2C[NH+](Cc3cc(F)ccc3F)C2)[nH]1 ZINC001031619472 770309523 /nfs/dbraw/zinc/30/95/23/770309523.db2.gz YSTHHLQGEPNWJK-UHFFFAOYSA-N 1 2 330.338 2.026 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/nfs/dbraw/zinc/09/00/69/777090069.db2.gz NXHWWDXPCWPXMK-HNNXBMFYSA-N 1 2 345.491 2.327 20 30 EEEDLO COC1CC(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)C1 ZINC000981408853 777336590 /nfs/dbraw/zinc/33/65/90/777336590.db2.gz SAJPWYLMWHQQRB-UHFFFAOYSA-N 1 2 333.457 2.079 20 30 EEEDLO COC1CC(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)C1 ZINC000981408853 777336597 /nfs/dbraw/zinc/33/65/97/777336597.db2.gz SAJPWYLMWHQQRB-UHFFFAOYSA-N 1 2 333.457 2.079 20 30 EEEDLO CC(C)c1cnc(C[N@@H+]2CCCC3(CN(C(=O)[C@H](C)C#N)C3)C2)o1 ZINC000981668805 777946632 /nfs/dbraw/zinc/94/66/32/777946632.db2.gz DZIGTGBXNYCYTA-CQSZACIVSA-N 1 2 330.432 2.382 20 30 EEEDLO CC(C)c1cnc(C[N@H+]2CCCC3(CN(C(=O)[C@H](C)C#N)C3)C2)o1 ZINC000981668805 777946641 /nfs/dbraw/zinc/94/66/41/777946641.db2.gz DZIGTGBXNYCYTA-CQSZACIVSA-N 1 2 330.432 2.382 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2c(C)cc(C)[nH]c2=O)CC1 ZINC000981811380 778255814 /nfs/dbraw/zinc/25/58/14/778255814.db2.gz LWDZPLOEKTZLJX-UHFFFAOYSA-N 1 2 337.851 2.233 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2c(C)cc(C)[nH]c2=O)CC1 ZINC000981811380 778255817 /nfs/dbraw/zinc/25/58/17/778255817.db2.gz LWDZPLOEKTZLJX-UHFFFAOYSA-N 1 2 337.851 2.233 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)C1CC(C)C1 ZINC001038157422 778413111 /nfs/dbraw/zinc/41/31/11/778413111.db2.gz GQJRKLRIKKWMHK-PUJMQQBBSA-N 1 2 327.428 2.303 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)C1CC(C)C1 ZINC001038157422 778413115 /nfs/dbraw/zinc/41/31/15/778413115.db2.gz GQJRKLRIKKWMHK-PUJMQQBBSA-N 1 2 327.428 2.303 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccn(C(C)C)n1 ZINC001028146757 778440039 /nfs/dbraw/zinc/44/00/39/778440039.db2.gz LNUQCAXRGYGHBJ-KSZLIROESA-N 1 2 346.475 2.136 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccn(C(C)C)n1 ZINC001028146757 778440045 /nfs/dbraw/zinc/44/00/45/778440045.db2.gz LNUQCAXRGYGHBJ-KSZLIROESA-N 1 2 346.475 2.136 20 30 EEEDLO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1)[C@@H]1CCCO1 ZINC000981912051 778528821 /nfs/dbraw/zinc/52/88/21/778528821.db2.gz LIJHNQPSCIAJSP-PBHICJAKSA-N 1 2 347.484 2.469 20 30 EEEDLO C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1)[C@@H]1CCCO1 ZINC000981912051 778528824 /nfs/dbraw/zinc/52/88/24/778528824.db2.gz LIJHNQPSCIAJSP-PBHICJAKSA-N 1 2 347.484 2.469 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCC[N@@H+]([C@H](C)c1nncn1C)C2 ZINC000981930624 778577681 /nfs/dbraw/zinc/57/76/81/778577681.db2.gz PDJIRCSYTYUOGF-OAHLLOKOSA-N 1 2 345.491 2.403 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCC[N@H+]([C@H](C)c1nncn1C)C2 ZINC000981930624 778577687 /nfs/dbraw/zinc/57/76/87/778577687.db2.gz PDJIRCSYTYUOGF-OAHLLOKOSA-N 1 2 345.491 2.403 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2nc(C)sc2C)CC1 ZINC000981993066 778800944 /nfs/dbraw/zinc/80/09/44/778800944.db2.gz XKPGUKXFVDNPAM-WBVHZDCISA-N 1 2 349.500 2.385 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2nc(C)sc2C)CC1 ZINC000981993066 778800953 /nfs/dbraw/zinc/80/09/53/778800953.db2.gz XKPGUKXFVDNPAM-WBVHZDCISA-N 1 2 349.500 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ZINC000923572915 789799706 /nfs/dbraw/zinc/79/97/06/789799706.db2.gz HQBLFRJCMGLGDI-GJZGRUSLSA-N 1 2 330.403 2.248 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(Br)s2)C1 ZINC000923593144 789830126 /nfs/dbraw/zinc/83/01/26/789830126.db2.gz JCEMPCLEBGJACW-SNVBAGLBSA-N 1 2 327.247 2.338 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Br)s2)C1 ZINC000923593144 789830127 /nfs/dbraw/zinc/83/01/27/789830127.db2.gz JCEMPCLEBGJACW-SNVBAGLBSA-N 1 2 327.247 2.338 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](Cc2ccc(CF)cc2)C1 ZINC001030333349 790062888 /nfs/dbraw/zinc/06/28/88/790062888.db2.gz DEPUGBGITPUAEF-MSOLQXFVSA-N 1 2 332.419 2.438 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001063036404 790144254 /nfs/dbraw/zinc/14/42/54/790144254.db2.gz DLFTYGOLOOJSQR-ZACQAIPSSA-N 1 2 344.459 2.030 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@@H](CCNC(=O)Cc3[nH]cc[nH+]3)C2)CCC1 ZINC001060335570 790190788 /nfs/dbraw/zinc/19/07/88/790190788.db2.gz MVLCGZXZQPMCIR-OAHLLOKOSA-N 1 2 344.459 2.053 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NC1(CNC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001063511503 791191804 /nfs/dbraw/zinc/19/18/04/791191804.db2.gz QZXUOJDOUKPRNK-CVEARBPZSA-N 1 2 346.475 2.277 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NC1(CNC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001063511506 791192224 /nfs/dbraw/zinc/19/22/24/791192224.db2.gz QZXUOJDOUKPRNK-JKSUJKDBSA-N 1 2 346.475 2.277 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088962058 791757324 /nfs/dbraw/zinc/75/73/24/791757324.db2.gz KRUQVXPYGQFIKQ-PBHICJAKSA-N 1 2 341.386 2.366 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088962058 791757326 /nfs/dbraw/zinc/75/73/26/791757326.db2.gz KRUQVXPYGQFIKQ-PBHICJAKSA-N 1 2 341.386 2.366 20 30 EEEDLO CCc1cnc(C[N@@H+]2CCC3(CN(C(=O)C#CC(C)(C)C)C3)C2)o1 ZINC001147541562 791859440 /nfs/dbraw/zinc/85/94/40/791859440.db2.gz RQMWARXOQHZZDQ-UHFFFAOYSA-N 1 2 329.444 2.321 20 30 EEEDLO CCc1cnc(C[N@H+]2CCC3(CN(C(=O)C#CC(C)(C)C)C3)C2)o1 ZINC001147541562 791859446 /nfs/dbraw/zinc/85/94/46/791859446.db2.gz RQMWARXOQHZZDQ-UHFFFAOYSA-N 1 2 329.444 2.321 20 30 EEEDLO CCN(C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1)[C@H]1CCCN(CC#N)CC1 ZINC000998047062 791884121 /nfs/dbraw/zinc/88/41/21/791884121.db2.gz PSQFQFYIHHPPEP-CVEARBPZSA-N 1 2 343.475 2.050 20 30 EEEDLO CCN(C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1)[C@H]1CCCN(CC#N)CC1 ZINC000998047062 791884129 /nfs/dbraw/zinc/88/41/29/791884129.db2.gz PSQFQFYIHHPPEP-CVEARBPZSA-N 1 2 343.475 2.050 20 30 EEEDLO C#CCCCNC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000174090470 791955949 /nfs/dbraw/zinc/95/59/49/791955949.db2.gz CMGPWNIEOPDXOO-UHFFFAOYSA-N 1 2 329.444 2.326 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001091679527 792158588 /nfs/dbraw/zinc/15/85/88/792158588.db2.gz KVFUSJOVNGOEAK-HIFRSBDPSA-N 1 2 346.479 2.251 20 30 EEEDLO C=CCOCC(=O)N1C[C@H](C)[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001112310065 792419768 /nfs/dbraw/zinc/41/97/68/792419768.db2.gz FKWYCKQUEDRFCH-SWLSCSKDSA-N 1 2 330.432 2.124 20 30 EEEDLO COc1cc(Br)cn2ncc(C[NH+]3CC(CC#N)C3)c12 ZINC001233024063 792491543 /nfs/dbraw/zinc/49/15/43/792491543.db2.gz IOUVQRCJNKITDJ-UHFFFAOYSA-N 1 2 335.205 2.451 20 30 EEEDLO C=C1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](Cc2ncnn2C)CC3)CC1 ZINC000992150956 792934544 /nfs/dbraw/zinc/93/45/44/792934544.db2.gz ITRCVGBJMLGHND-LPHOPBHVSA-N 1 2 343.475 2.175 20 30 EEEDLO C=C1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](Cc2ncnn2C)CC3)CC1 ZINC000992150956 792934550 /nfs/dbraw/zinc/93/45/50/792934550.db2.gz ITRCVGBJMLGHND-LPHOPBHVSA-N 1 2 343.475 2.175 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CCN1c1cccc(F)c1C#N ZINC001091958654 793463166 /nfs/dbraw/zinc/46/31/66/793463166.db2.gz YYVCCOIKQSEJMV-DOMZBBRYSA-N 1 2 341.390 2.137 20 30 EEEDLO C[C@@H]1C[C@H](Nc2ncccc2C#N)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001064771279 793703659 /nfs/dbraw/zinc/70/36/59/793703659.db2.gz CUYNXZGSQJALTH-UKRRQHHQSA-N 1 2 338.415 2.101 20 30 EEEDLO C=CCCCC(=O)NCC1CC(Nc2[nH+]cnc3c2cnn3C)C1 ZINC001092258400 793769638 /nfs/dbraw/zinc/76/96/38/793769638.db2.gz HNEVMCNKGVJQOM-UHFFFAOYSA-N 1 2 328.420 2.026 20 30 EEEDLO Cc1nc(N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)ccc1C#N ZINC001064793298 793772895 /nfs/dbraw/zinc/77/28/95/793772895.db2.gz ULIWCHKXGWUJFP-SWLSCSKDSA-N 1 2 338.415 2.019 20 30 EEEDLO Cc1nc(N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)ccc1C#N ZINC001064793297 793773219 /nfs/dbraw/zinc/77/32/19/793773219.db2.gz ULIWCHKXGWUJFP-IUODEOHRSA-N 1 2 338.415 2.019 20 30 EEEDLO Cc1nc(N2C[C@@H](CNC(=O)C#CC(C)C)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC001092356054 793828343 /nfs/dbraw/zinc/82/83/43/793828343.db2.gz PKGYJLCGDDJSPD-CXAGYDPISA-N 1 2 328.460 2.250 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccn3ccccc13)c1nccn12 ZINC001092381829 793877384 /nfs/dbraw/zinc/87/73/84/793877384.db2.gz ZSNCNOWEXKKDRP-MRXNPFEDSA-N 1 2 347.422 2.208 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@]13C[C@H]1CCCC3)c1nccn12 ZINC001092392804 793891063 /nfs/dbraw/zinc/89/10/63/793891063.db2.gz LFLDVWFRRMSRPX-ZRGWGRIASA-N 1 2 326.444 2.221 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)C1CCC(F)CC1)c1nccn12 ZINC001092393831 793892851 /nfs/dbraw/zinc/89/28/51/793892851.db2.gz MSXJVRHZEFNVOM-GPANFISMSA-N 1 2 344.434 2.007 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccccc1C)c1nccn12 ZINC001092409679 793958937 /nfs/dbraw/zinc/95/89/37/793958937.db2.gz AEUMJDFOVYSBSQ-QGZVFWFLSA-N 1 2 336.439 2.192 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccccc1F)c1nccn12 ZINC001092410964 793960749 /nfs/dbraw/zinc/96/07/49/793960749.db2.gz QBQKHFPBCUJLHD-MRXNPFEDSA-N 1 2 340.402 2.023 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccc(C)s1)c1nccn12 ZINC001092412233 793961795 /nfs/dbraw/zinc/96/17/95/793961795.db2.gz CLKWZROMYQVGRH-OAHLLOKOSA-N 1 2 342.468 2.254 20 30 EEEDLO C#CCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccn2)cc1 ZINC001032670466 794033911 /nfs/dbraw/zinc/03/39/11/794033911.db2.gz BPWLEQSVIOGWAH-OALUTQOASA-N 1 2 347.418 2.193 20 30 EEEDLO C#CCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccn2)cc1 ZINC001032670466 794033913 /nfs/dbraw/zinc/03/39/13/794033913.db2.gz BPWLEQSVIOGWAH-OALUTQOASA-N 1 2 347.418 2.193 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001065000420 794068932 /nfs/dbraw/zinc/06/89/32/794068932.db2.gz YTYYHSTXNVLTDL-KSSFIOAISA-N 1 2 346.479 2.251 20 30 EEEDLO C[C@H](CC(=O)N1CCC[C@H]1CNc1ccc(C#N)nc1)n1cc[nH+]c1 ZINC001065024490 794115052 /nfs/dbraw/zinc/11/50/52/794115052.db2.gz FNFVUSXJFCQBPN-PBHICJAKSA-N 1 2 338.415 2.204 20 30 EEEDLO C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)CCCOC1 ZINC001032702989 794173292 /nfs/dbraw/zinc/17/32/92/794173292.db2.gz HAOLOXCJLUYZBM-CMKODMSKSA-N 1 2 339.439 2.160 20 30 EEEDLO C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)CCCOC1 ZINC001032702989 794173298 /nfs/dbraw/zinc/17/32/98/794173298.db2.gz HAOLOXCJLUYZBM-CMKODMSKSA-N 1 2 339.439 2.160 20 30 EEEDLO C=CCC(CC=C)C(=O)N(CC)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001079835311 795264068 /nfs/dbraw/zinc/26/40/68/795264068.db2.gz MUOVOLYETGCPFD-UHFFFAOYSA-N 1 2 344.459 2.101 20 30 EEEDLO C=CC(C)(C)CC(=O)N(CC)C1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001079844470 795275809 /nfs/dbraw/zinc/27/58/09/795275809.db2.gz OXUJMNFLTAKKSW-UHFFFAOYSA-N 1 2 346.475 2.014 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3scnc3C)CC2)C1 ZINC001093512921 795299221 /nfs/dbraw/zinc/29/92/21/795299221.db2.gz ZXMACSVWBMGOEZ-UHFFFAOYSA-N 1 2 335.473 2.333 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cncs2)C1 ZINC001079906095 795331303 /nfs/dbraw/zinc/33/13/03/795331303.db2.gz XYUPNKGOAAKZAJ-BXKDBHETSA-N 1 2 344.278 2.031 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cncs2)C1 ZINC001079906095 795331297 /nfs/dbraw/zinc/33/12/97/795331297.db2.gz XYUPNKGOAAKZAJ-BXKDBHETSA-N 1 2 344.278 2.031 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001079936247 795364329 /nfs/dbraw/zinc/36/43/29/795364329.db2.gz WHAXSCPFMLQZSW-DVVUODLYSA-N 1 2 337.208 2.377 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001079936247 795364335 /nfs/dbraw/zinc/36/43/35/795364335.db2.gz WHAXSCPFMLQZSW-DVVUODLYSA-N 1 2 337.208 2.377 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)Cc3ccncc3Cl)CC2)C1 ZINC001093571933 795383199 /nfs/dbraw/zinc/38/31/99/795383199.db2.gz DMJDZMNXICHQRX-UHFFFAOYSA-N 1 2 349.862 2.155 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccn(C)c3CC)CC2)C1 ZINC001093574942 795385845 /nfs/dbraw/zinc/38/58/45/795385845.db2.gz IOCIWHGEFNCLEE-UHFFFAOYSA-N 1 2 331.460 2.079 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCO[C@@H](C)C3)CC2)C1 ZINC001093584693 795396851 /nfs/dbraw/zinc/39/68/51/795396851.db2.gz CDVVQBPUWZDLPE-HOTGVXAUSA-N 1 2 336.476 2.069 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N(CC)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001080289745 795836879 /nfs/dbraw/zinc/83/68/79/795836879.db2.gz RTHZUYVQPNXLRY-KBPBESRZSA-N 1 2 346.475 2.205 20 30 EEEDLO C[C@@H](CCNc1ncc(C#N)cc1Cl)NC(=O)CCc1c[nH]c[nH+]1 ZINC001106620596 795969107 /nfs/dbraw/zinc/96/91/07/795969107.db2.gz HITKGODHAFHUIZ-NSHDSACASA-N 1 2 346.822 2.269 20 30 EEEDLO C[C@@H](CCNc1ncc(C#N)cc1Cl)NC(=O)CCc1c[nH+]c[nH]1 ZINC001106620596 795969111 /nfs/dbraw/zinc/96/91/11/795969111.db2.gz HITKGODHAFHUIZ-NSHDSACASA-N 1 2 346.822 2.269 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCCO[C@@H](C[NH2+][C@H](C)c3nc(C)no3)C2)C1 ZINC001078467144 796522340 /nfs/dbraw/zinc/52/23/40/796522340.db2.gz VFVBVEXCNLMPNW-HIFRSBDPSA-N 1 2 348.447 2.002 20 30 EEEDLO C#Cc1ccc(C(=O)NC2C[NH+](CCc3ccccc3CC)C2)cn1 ZINC001031278746 796637113 /nfs/dbraw/zinc/63/71/13/796637113.db2.gz WSRDIWIUWPIMRJ-UHFFFAOYSA-N 1 2 333.435 2.282 20 30 EEEDLO C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH]ncc32)C[C@H]1c1ccccc1 ZINC001081117242 796657785 /nfs/dbraw/zinc/65/77/85/796657785.db2.gz YHLVKJVNSYWOBL-XKGZKEIXSA-N 1 2 348.450 2.047 20 30 EEEDLO C=CCC1(C(=O)N(CC)CCNc2cc[nH+]c(C)n2)CCOCC1 ZINC001106815172 796703183 /nfs/dbraw/zinc/70/31/83/796703183.db2.gz YUHODDNLIYUTEX-UHFFFAOYSA-N 1 2 332.448 2.418 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncc3cccnc32)[C@@H]1C ZINC000993609716 796837073 /nfs/dbraw/zinc/83/70/73/796837073.db2.gz HLMGIWDPTVIFIO-DZGCQCFKSA-N 1 2 347.850 2.153 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncc3cccnc32)[C@@H]1C ZINC000993609716 796837078 /nfs/dbraw/zinc/83/70/78/796837078.db2.gz HLMGIWDPTVIFIO-DZGCQCFKSA-N 1 2 347.850 2.153 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cnco2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993639711 796862090 /nfs/dbraw/zinc/86/20/90/796862090.db2.gz FGUDQTQJLBLCBF-RISCZKNCSA-N 1 2 330.413 2.391 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cnco2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993639711 796862093 /nfs/dbraw/zinc/86/20/93/796862093.db2.gz FGUDQTQJLBLCBF-RISCZKNCSA-N 1 2 330.413 2.391 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)NCCCNc2snc(C)c2C#N)c[nH+]1 ZINC001094871013 796875623 /nfs/dbraw/zinc/87/56/23/796875623.db2.gz RXKMUMPYCGOMCY-UHFFFAOYSA-N 1 2 346.460 2.182 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3cnnn3CC)[C@@H]2C)C1 ZINC000993790822 796996072 /nfs/dbraw/zinc/99/60/72/796996072.db2.gz PSANDFBXNOIRKC-ZBFHGGJFSA-N 1 2 331.464 2.123 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3cnnn3CC)[C@@H]2C)C1 ZINC000993790822 796996076 /nfs/dbraw/zinc/99/60/76/796996076.db2.gz PSANDFBXNOIRKC-ZBFHGGJFSA-N 1 2 331.464 2.123 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001082179016 797248929 /nfs/dbraw/zinc/24/89/29/797248929.db2.gz UAESDHRHTJZVHS-HNNXBMFYSA-N 1 2 346.475 2.062 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001082178667 797266150 /nfs/dbraw/zinc/26/61/50/797266150.db2.gz NHAVVCJLJPSDOJ-HNAYVOBHSA-N 1 2 346.475 2.062 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095043623 797270909 /nfs/dbraw/zinc/27/09/09/797270909.db2.gz AZELOOJJCWRCQI-UKRRQHHQSA-N 1 2 330.432 2.266 20 30 EEEDLO C=CCCC1(C(=O)NC[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001082320334 797448089 /nfs/dbraw/zinc/44/80/89/797448089.db2.gz KPBUFPKHDNAIEX-INIZCTEOSA-N 1 2 344.459 2.196 20 30 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335.492 2.278 20 30 EEEDLO C=CC(C)(C)C(=O)NCc1cnn2c1C[N@H+](CCCCCOC)CC2 ZINC001128437914 799506647 /nfs/dbraw/zinc/50/66/47/799506647.db2.gz PJQWTLQIAYVXGB-UHFFFAOYSA-N 1 2 348.491 2.344 20 30 EEEDLO C=CC(C)(C)C(=O)NCc1cnn2c1C[N@@H+](CCCCCOC)CC2 ZINC001128437914 799506650 /nfs/dbraw/zinc/50/66/50/799506650.db2.gz PJQWTLQIAYVXGB-UHFFFAOYSA-N 1 2 348.491 2.344 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NCc1cnn2c1C[N@H+](CCCOCC)CC2 ZINC001128447878 799560694 /nfs/dbraw/zinc/56/06/94/799560694.db2.gz GIUDOLSCVOARIM-HOTGVXAUSA-N 1 2 348.491 2.200 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NCc1cnn2c1C[N@@H+](CCCOCC)CC2 ZINC001128447878 799560698 /nfs/dbraw/zinc/56/06/98/799560698.db2.gz GIUDOLSCVOARIM-HOTGVXAUSA-N 1 2 348.491 2.200 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]([NH2+]Cc2nnc(OCC)s2)[C@@H]1C ZINC001178806395 799630208 /nfs/dbraw/zinc/63/02/08/799630208.db2.gz ZNRGBUAYGPAIKU-STQMWFEESA-N 1 2 338.477 2.372 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001003554496 799818085 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CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001108284939 803168324 /nfs/dbraw/zinc/16/83/24/803168324.db2.gz GMUYTACSVAPZMK-HNAYVOBHSA-N 1 2 332.419 2.160 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c(C)[nH]c3ccccc32)[C@H](O)C1 ZINC001090415460 803219849 /nfs/dbraw/zinc/21/98/49/803219849.db2.gz AGJVMUKIJLVNGA-HZPDHXFCSA-N 1 2 347.846 2.394 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)[nH]c3ccccc32)[C@H](O)C1 ZINC001090415460 803219854 /nfs/dbraw/zinc/21/98/54/803219854.db2.gz AGJVMUKIJLVNGA-HZPDHXFCSA-N 1 2 347.846 2.394 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc3scnc3c2)C1 ZINC001108318306 803270330 /nfs/dbraw/zinc/27/03/30/803270330.db2.gz DNOAYBOHNDGGFK-GOSISDBHSA-N 1 2 343.452 2.140 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc3scnc3c2)C1 ZINC001108318306 803270334 /nfs/dbraw/zinc/27/03/34/803270334.db2.gz DNOAYBOHNDGGFK-GOSISDBHSA-N 1 2 343.452 2.140 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnn(CCC(C)C)c2C)C1 ZINC001108334075 803307258 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C=CCCOCC(=O)N1CC[NH+](C[C@H](O)c2ccc(CC)cc2)CC1 ZINC001113708929 809611323 /nfs/dbraw/zinc/61/13/23/809611323.db2.gz DMXJISRVBVVNMX-IBGZPJMESA-N 1 2 346.471 2.019 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001113713610 809618930 /nfs/dbraw/zinc/61/89/30/809618930.db2.gz UIIGAPCPPSARJX-CVEARBPZSA-N 1 2 332.444 2.492 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC001113714734 809621294 /nfs/dbraw/zinc/62/12/94/809621294.db2.gz LYRXTQFWXCRCCZ-GOSISDBHSA-N 1 2 346.471 2.418 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CCCOC3)CC2)cc1 ZINC000792830758 810028663 /nfs/dbraw/zinc/02/86/63/810028663.db2.gz AGYRMQLXVBSXSL-GOSISDBHSA-N 1 2 327.428 2.019 20 30 EEEDLO C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)N(C)c1ccc(C#N)cn1 ZINC001113970500 810131312 /nfs/dbraw/zinc/13/13/12/810131312.db2.gz RKBBFUKYHYATTM-LBPRGKRZSA-N 1 2 334.383 2.084 20 30 EEEDLO CC(C)(C)c1csc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)n1 ZINC001114257835 810696060 /nfs/dbraw/zinc/69/60/60/810696060.db2.gz GWNABWNZHXBGOF-UOIKSKOESA-N 1 2 343.496 2.400 20 30 EEEDLO CC(C)(C)c1csc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)n1 ZINC001114257835 810696065 /nfs/dbraw/zinc/69/60/65/810696065.db2.gz GWNABWNZHXBGOF-UOIKSKOESA-N 1 2 343.496 2.400 20 30 EEEDLO CCCC[C@H](CNc1nc(C)ccc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001114274436 810729137 /nfs/dbraw/zinc/72/91/37/810729137.db2.gz HKNJNMOGMJSJPS-OAHLLOKOSA-N 1 2 340.431 2.314 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C2(CC)CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129461238 810865985 /nfs/dbraw/zinc/86/59/85/810865985.db2.gz SGUFCDROSWMRKE-SJORKVTESA-N 1 2 343.475 2.003 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C2(CC)CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129461238 810865990 /nfs/dbraw/zinc/86/59/90/810865990.db2.gz SGUFCDROSWMRKE-SJORKVTESA-N 1 2 343.475 2.003 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[NH2+][C@H](C)c2nnc(CC)o2)cc1 ZINC001130371296 811521135 /nfs/dbraw/zinc/52/11/35/811521135.db2.gz KXXTYNBWIRJVFR-CYBMUJFWSA-N 1 2 344.415 2.277 20 30 EEEDLO C=CCCCC(=O)N1C[C@H](C)O[C@]2(CC[N@H+](Cc3ccon3)C2)C1 ZINC001131678464 813130905 /nfs/dbraw/zinc/13/09/05/813130905.db2.gz ZLBZIHMSARMZPS-YJBOKZPZSA-N 1 2 333.432 2.223 20 30 EEEDLO C=CCCCC(=O)N1C[C@H](C)O[C@]2(CC[N@@H+](Cc3ccon3)C2)C1 ZINC001131678464 813130911 /nfs/dbraw/zinc/13/09/11/813130911.db2.gz ZLBZIHMSARMZPS-YJBOKZPZSA-N 1 2 333.432 2.223 20 30 EEEDLO Cc1cc(CCC(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)no1 ZINC001437523867 1089950115 /nfs/dbraw/zinc/95/01/15/1089950115.db2.gz ZPBDVNMFTZGGTH-UHFFFAOYSA-N 1 2 344.390 2.175 20 30 EEEDLO Cc1cc(CCC(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)no1 ZINC001437523867 1089950128 /nfs/dbraw/zinc/95/01/28/1089950128.db2.gz ZPBDVNMFTZGGTH-UHFFFAOYSA-N 1 2 344.390 2.175 20 30 EEEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)c1ccncc1 ZINC001438846044 1091484221 /nfs/dbraw/zinc/48/42/21/1091484221.db2.gz JCSIQEMRQXLJAJ-UHFFFAOYSA-N 1 2 326.375 2.296 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)c1ccncc1 ZINC001438846044 1091484226 /nfs/dbraw/zinc/48/42/26/1091484226.db2.gz JCSIQEMRQXLJAJ-UHFFFAOYSA-N 1 2 326.375 2.296 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCc2cn(C)nc2C)[C@@H]1C ZINC001449040617 1094055400 /nfs/dbraw/zinc/05/54/00/1094055400.db2.gz BXPNUSIWPAKMHS-GOEBONIOSA-N 1 2 338.883 2.383 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCc2cn(C)nc2C)[C@@H]1C ZINC001449040617 1094055408 /nfs/dbraw/zinc/05/54/08/1094055408.db2.gz BXPNUSIWPAKMHS-GOEBONIOSA-N 1 2 338.883 2.383 20 30 EEEDLO CC(=O)CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001443128199 1097551715 /nfs/dbraw/zinc/55/17/15/1097551715.db2.gz KIBXEOWONQEXKR-KDURUIRLSA-N 1 2 339.439 2.493 20 30 EEEDLO CC(=O)CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001443128199 1097551719 /nfs/dbraw/zinc/55/17/19/1097551719.db2.gz KIBXEOWONQEXKR-KDURUIRLSA-N 1 2 339.439 2.493 20 30 EEEDLO CCCCC(=O)NC[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC001444435390 1099066527 /nfs/dbraw/zinc/06/65/27/1099066527.db2.gz MUKRBOFNVDOFHE-SFHVURJKSA-N 1 2 345.443 2.096 20 30 EEEDLO CCCCC(=O)NC[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC001444435390 1099066541 /nfs/dbraw/zinc/06/65/41/1099066541.db2.gz MUKRBOFNVDOFHE-SFHVURJKSA-N 1 2 345.443 2.096 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)c1cc(C2CC2)[nH]n1 ZINC001445030648 1100198770 /nfs/dbraw/zinc/19/87/70/1100198770.db2.gz AHJMPIDDSZRVHO-UHFFFAOYSA-N 1 2 337.427 2.363 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)c1cc(C2CC2)[nH]n1 ZINC001445030648 1100198777 /nfs/dbraw/zinc/19/87/77/1100198777.db2.gz AHJMPIDDSZRVHO-UHFFFAOYSA-N 1 2 337.427 2.363 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2csc(C)c2C)C1 ZINC001494270781 1103785065 /nfs/dbraw/zinc/78/50/65/1103785065.db2.gz JCPPSZDFEDNMAM-UKRRQHHQSA-N 1 2 349.500 2.250 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2csc(C)c2C)C1 ZINC001494270781 1103785073 /nfs/dbraw/zinc/78/50/73/1103785073.db2.gz JCPPSZDFEDNMAM-UKRRQHHQSA-N 1 2 349.500 2.250 20 30 EEEDLO C[C@@H](C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1)C(F)(F)F ZINC001494586310 1104172451 /nfs/dbraw/zinc/17/24/51/1104172451.db2.gz YMUKAOZNRLYLHQ-JTQLQIEISA-N 1 2 343.324 2.444 20 30 EEEDLO COCC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccccc1C#N ZINC001505412145 1113946314 /nfs/dbraw/zinc/94/63/14/1113946314.db2.gz QVBFMCMSKLQIKW-UYAOXDASSA-N 1 2 335.407 2.076 20 30 EEEDLO CCN(C(=O)[C@@H](C)C#N)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001512461779 1118547511 /nfs/dbraw/zinc/54/75/11/1118547511.db2.gz ZFRVUBMVOGWFJV-GXTWGEPZSA-N 1 2 330.432 2.133 20 30 EEEDLO C=CCC[C@H]1CCCN1c1nnc(Cc2[nH+]ccn2C)n1CCOC ZINC001514747192 1118860022 /nfs/dbraw/zinc/86/00/22/1118860022.db2.gz HHYMPTUHTXFXMJ-HNNXBMFYSA-N 1 2 344.463 2.184 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H](CO)[C@H]1C ZINC001520331160 1119146875 /nfs/dbraw/zinc/14/68/75/1119146875.db2.gz MOEAGAGFMSIPCB-CVEARBPZSA-N 1 2 333.480 2.047 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001567870333 1124150338 /nfs/dbraw/zinc/15/03/38/1124150338.db2.gz WSVCIFFNGOHHRS-HIFRSBDPSA-N 1 2 337.851 2.407 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001567870333 1124150339 /nfs/dbraw/zinc/15/03/39/1124150339.db2.gz WSVCIFFNGOHHRS-HIFRSBDPSA-N 1 2 337.851 2.407 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066559584 215053999 /nfs/dbraw/zinc/05/39/99/215053999.db2.gz ZBOBVVHHGPCSJX-ZDUSSCGKSA-N 1 2 331.384 2.463 20 30 EEEDLO C=CC[N@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066559584 215054003 /nfs/dbraw/zinc/05/40/03/215054003.db2.gz ZBOBVVHHGPCSJX-ZDUSSCGKSA-N 1 2 331.384 2.463 20 30 EEEDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCc2ccc(O)cc2C1 ZINC000328756554 539760212 /nfs/dbraw/zinc/76/02/12/539760212.db2.gz UHOCSVQUAMSTGC-INIZCTEOSA-N 1 2 338.411 2.338 20 30 EEEDLO C[C@H](c1cccc(NC(=O)N2CCCOCC2)c1)[NH+]1CCOCC1 ZINC000329097485 539766515 /nfs/dbraw/zinc/76/65/15/539766515.db2.gz LPQMOUUQFVMSPP-OAHLLOKOSA-N 1 2 333.432 2.348 20 30 EEEDLO C#CCCCCC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000179864117 201031199 /nfs/dbraw/zinc/03/11/99/201031199.db2.gz SPWZHXDMMKURCT-UHFFFAOYSA-N 1 2 344.455 2.207 20 30 EEEDLO C#C[C@@H](C)NC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274768344 201271360 /nfs/dbraw/zinc/27/13/60/201271360.db2.gz HVROOBMPCAOXDL-SNVBAGLBSA-N 1 2 335.205 2.226 20 30 EEEDLO Cn1cc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)cc1C#N ZINC000191380761 239076293 /nfs/dbraw/zinc/07/62/93/239076293.db2.gz XAGHEFVUPGSTSY-UHFFFAOYSA-N 1 2 329.835 2.263 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1nncn1C ZINC000275032418 201275451 /nfs/dbraw/zinc/27/54/51/201275451.db2.gz AQAPRAMXWKNWBV-CHWSQXEVSA-N 1 2 333.461 2.131 20 30 EEEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1F ZINC000455547675 244022289 /nfs/dbraw/zinc/02/22/89/244022289.db2.gz RVQLJCLWGMSECT-UHFFFAOYSA-N 1 2 342.374 2.318 20 30 EEEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)c3cccnc3)CC2)cc1 ZINC000156890045 205122548 /nfs/dbraw/zinc/12/25/48/205122548.db2.gz OCHWPPVGPVPMML-UHFFFAOYSA-N 1 2 335.407 2.052 20 30 EEEDLO Cc1cccc(/C=C/C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000491367312 246007450 /nfs/dbraw/zinc/00/74/50/246007450.db2.gz OAHRKZDFBQDLEG-VOTSOKGWSA-N 1 2 327.428 2.083 20 30 EEEDLO C#CCNC(=O)C1CC[NH+](Cc2ccnc(Cl)c2Cl)CC1 ZINC000491669999 246103666 /nfs/dbraw/zinc/10/36/66/246103666.db2.gz CPKOODLHZSWOHR-UHFFFAOYSA-N 1 2 326.227 2.350 20 30 EEEDLO C[C@@H](N1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000268611678 252066009 /nfs/dbraw/zinc/06/60/09/252066009.db2.gz KWTGDQLJWWJIHF-IUODEOHRSA-N 1 2 327.350 2.160 20 30 EEEDLO C#C[C@@H](CCC)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000491451603 533243222 /nfs/dbraw/zinc/24/32/22/533243222.db2.gz GSSWPFFYXVEXSB-GJZGRUSLSA-N 1 2 335.473 2.223 20 30 EEEDLO C#C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)c1ccc(F)cc1 ZINC000491554010 533325296 /nfs/dbraw/zinc/32/52/96/533325296.db2.gz FQPUCHVUGXTBAN-JLSDUUJJSA-N 1 2 345.418 2.005 20 30 EEEDLO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)c1C ZINC000052636145 132185223 /nfs/dbraw/zinc/18/52/23/132185223.db2.gz YJEGYRRLCNMFBL-QGZVFWFLSA-N 1 2 328.460 2.186 20 30 EEEDLO Cc1cc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)ccc1C#N ZINC000352303109 153045713 /nfs/dbraw/zinc/04/57/13/153045713.db2.gz PWLPEXAXPWDGTR-OAHLLOKOSA-N 1 2 330.413 2.030 20 30 EEEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000247569448 160329387 /nfs/dbraw/zinc/32/93/87/160329387.db2.gz LHUCUYOWCOGRQK-LRDDRELGSA-N 1 2 341.415 2.486 20 30 EEEDLO Cc1oc(NC(=O)CN2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000247569448 160329389 /nfs/dbraw/zinc/32/93/89/160329389.db2.gz LHUCUYOWCOGRQK-LRDDRELGSA-N 1 2 341.415 2.486 20 30 EEEDLO Cc1nnc(C[N@H+](C)CCOCc2ccc(C#N)cc2)n1C1CC1 ZINC000344117709 161199829 /nfs/dbraw/zinc/19/98/29/161199829.db2.gz PZTDTWDWIRPFRN-UHFFFAOYSA-N 1 2 325.416 2.442 20 30 EEEDLO Cc1nnc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)n1C1CC1 ZINC000344117709 161199830 /nfs/dbraw/zinc/19/98/30/161199830.db2.gz PZTDTWDWIRPFRN-UHFFFAOYSA-N 1 2 325.416 2.442 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000374889469 167061513 /nfs/dbraw/zinc/06/15/13/167061513.db2.gz CLWIJGIUPKYZLX-LJQANCHMSA-N 1 2 339.370 2.229 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000374889469 167061516 /nfs/dbraw/zinc/06/15/16/167061516.db2.gz CLWIJGIUPKYZLX-LJQANCHMSA-N 1 2 339.370 2.229 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1C#N ZINC000534471163 270022908 /nfs/dbraw/zinc/02/29/08/270022908.db2.gz XACZXINLSZINRF-ZIAGYGMSSA-N 1 2 342.317 2.232 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1C#N ZINC000534471163 270022909 /nfs/dbraw/zinc/02/29/09/270022909.db2.gz XACZXINLSZINRF-ZIAGYGMSSA-N 1 2 342.317 2.232 20 30 EEEDLO CCCNC(=O)C[N@H+](CCC)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000298025450 266056280 /nfs/dbraw/zinc/05/62/80/266056280.db2.gz DSNACNPXMVVGGL-CQSZACIVSA-N 1 2 330.432 2.123 20 30 EEEDLO CCCNC(=O)C[N@@H+](CCC)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000298025450 266056283 /nfs/dbraw/zinc/05/62/83/266056283.db2.gz DSNACNPXMVVGGL-CQSZACIVSA-N 1 2 330.432 2.123 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279767742 267137641 /nfs/dbraw/zinc/13/76/41/267137641.db2.gz MUYOCWYOABLOBV-LSDHHAIUSA-N 1 2 343.427 2.155 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279767742 267137648 /nfs/dbraw/zinc/13/76/48/267137648.db2.gz MUYOCWYOABLOBV-LSDHHAIUSA-N 1 2 343.427 2.155 20 30 EEEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000292542339 267216573 /nfs/dbraw/zinc/21/65/73/267216573.db2.gz JOSKCKPRFYQDPF-LRDDRELGSA-N 1 2 348.403 2.166 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000333054560 267391119 /nfs/dbraw/zinc/39/11/19/267391119.db2.gz HFWWMUQHWGMBQI-HNNXBMFYSA-N 1 2 344.440 2.372 20 30 EEEDLO Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2)n(-c2cc[nH+]cc2)n1 ZINC000437317300 268012444 /nfs/dbraw/zinc/01/24/44/268012444.db2.gz SAYTXUYYISHRQJ-UHFFFAOYSA-N 1 2 339.380 2.248 20 30 EEEDLO Cc1cc(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)ccc1C#N ZINC000443957726 268016617 /nfs/dbraw/zinc/01/66/17/268016617.db2.gz DSJHJIBILNZZKQ-UHFFFAOYSA-N 1 2 340.408 2.035 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3cc(C)ncc3C#N)CC2)no1 ZINC000425250814 268075831 /nfs/dbraw/zinc/07/58/31/268075831.db2.gz DMPGIMJEYDDNSB-INIZCTEOSA-N 1 2 340.431 2.444 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3cc(C)ncc3C#N)CC2)no1 ZINC000425250814 268075834 /nfs/dbraw/zinc/07/58/34/268075834.db2.gz DMPGIMJEYDDNSB-INIZCTEOSA-N 1 2 340.431 2.444 20 30 EEEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000528352281 268301127 /nfs/dbraw/zinc/30/11/27/268301127.db2.gz SVHVUEFGVSKZRD-UYAOXDASSA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000528352281 268301130 /nfs/dbraw/zinc/30/11/30/268301130.db2.gz SVHVUEFGVSKZRD-UYAOXDASSA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(F)cn3)CC2)cc1 ZINC000274879811 269068296 /nfs/dbraw/zinc/06/82/96/269068296.db2.gz MYHFPWVRIZXQFB-UHFFFAOYSA-N 1 2 339.374 2.442 20 30 EEEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)/C=C\c3cccc(C#N)c3)CC2)S1 ZINC000255278583 292698652 /nfs/dbraw/zinc/69/86/52/292698652.db2.gz IWMZGQULUWFUKH-GXMNPTEKSA-N 1 2 340.452 2.207 20 30 EEEDLO C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352262311 288927718 /nfs/dbraw/zinc/92/77/18/288927718.db2.gz FXMVKBKNEPEQSY-HKJPBSJPSA-N 1 2 325.343 2.336 20 30 EEEDLO CS[C@@H](C)CC[N@@H+]1C[C@]2(F)CN(CCCC#N)C(=O)[C@]2(F)C1 ZINC001273120151 1194401858 /nfs/dbraw/zinc/40/18/58/1194401858.db2.gz CQVCTEZZXYFXKP-AEGPPILISA-N 1 2 331.432 2.006 20 30 EEEDLO CS[C@@H](C)CC[N@H+]1C[C@]2(F)CN(CCCC#N)C(=O)[C@]2(F)C1 ZINC001273120151 1194401861 /nfs/dbraw/zinc/40/18/61/1194401861.db2.gz CQVCTEZZXYFXKP-AEGPPILISA-N 1 2 331.432 2.006 20 30 EEEDLO CN1CC[N@H+](C)C[C@H]1c1noc(C2(c3cc(F)cc(C#N)c3)CC2)n1 ZINC000350052893 312314013 /nfs/dbraw/zinc/31/40/13/312314013.db2.gz SOYLDLFQWUUYJQ-HNNXBMFYSA-N 1 2 341.390 2.079 20 30 EEEDLO CN1CC[N@@H+](C)C[C@H]1c1noc(C2(c3cc(F)cc(C#N)c3)CC2)n1 ZINC000350052893 312314014 /nfs/dbraw/zinc/31/40/14/312314014.db2.gz SOYLDLFQWUUYJQ-HNNXBMFYSA-N 1 2 341.390 2.079 20 30 EEEDLO N#Cc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)ccc1Cl ZINC000538683767 318040731 /nfs/dbraw/zinc/04/07/31/318040731.db2.gz OLJDHMUEZRYCIG-OAHLLOKOSA-N 1 2 333.819 2.148 20 30 EEEDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)o1 ZINC000544520847 318189444 /nfs/dbraw/zinc/18/94/44/318189444.db2.gz ZBBDTJUORJSTBC-BDAKNGLRSA-N 1 2 345.428 2.478 20 30 EEEDLO COc1cc(C#N)ccc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000545998499 318239306 /nfs/dbraw/zinc/23/93/06/318239306.db2.gz AGCPJFJBYKUOCA-UHFFFAOYSA-N 1 2 339.399 2.464 20 30 EEEDLO CC(C)(NC(=O)CCCC(=O)Nc1ccccc1C#N)c1[nH]cc[nH+]1 ZINC000568640401 319506683 /nfs/dbraw/zinc/50/66/83/319506683.db2.gz SXWFEXXCODCEED-UHFFFAOYSA-N 1 2 339.399 2.442 20 30 EEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000578111729 320294576 /nfs/dbraw/zinc/29/45/76/320294576.db2.gz FFTNWLJVMCODGK-LBPRGKRZSA-N 1 2 332.835 2.001 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2nc(C3CC3)cs2)cc1 ZINC000579583005 323885798 /nfs/dbraw/zinc/88/57/98/323885798.db2.gz XMJVHYPQQVMEEE-UHFFFAOYSA-N 1 2 347.465 2.456 20 30 EEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1cnn(C)c1 ZINC000126936298 463671933 /nfs/dbraw/zinc/67/19/33/463671933.db2.gz JQOPANVOIFPZKT-SWKXRBFHSA-N 1 2 331.464 2.171 20 30 EEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1cnn(C)c1 ZINC000126936298 463671938 /nfs/dbraw/zinc/67/19/38/463671938.db2.gz JQOPANVOIFPZKT-SWKXRBFHSA-N 1 2 331.464 2.171 20 30 EEEDLO COC[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(C)o1 ZINC000347634078 465137918 /nfs/dbraw/zinc/13/79/18/465137918.db2.gz ILADAZVEHQHAKX-INIZCTEOSA-N 1 2 327.384 2.053 20 30 EEEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CC[C@H](C2CCOCC2)C1 ZINC000328842009 465143291 /nfs/dbraw/zinc/14/32/91/465143291.db2.gz OYRDBDBOPGVXCB-HNNXBMFYSA-N 1 2 332.448 2.382 20 30 EEEDLO C=CCOc1cccnc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000341423452 465157608 /nfs/dbraw/zinc/15/76/08/465157608.db2.gz WBWALIIZYGJGFB-UHFFFAOYSA-N 1 2 343.452 2.496 20 30 EEEDLO C=CCOc1cccnc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000341423452 465157613 /nfs/dbraw/zinc/15/76/13/465157613.db2.gz WBWALIIZYGJGFB-UHFFFAOYSA-N 1 2 343.452 2.496 20 30 EEEDLO COCC1(C#N)CCN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000341494846 465198056 /nfs/dbraw/zinc/19/80/56/465198056.db2.gz JKDHSYFRFORKGS-OAHLLOKOSA-N 1 2 345.447 2.031 20 30 EEEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3cccc(Cl)c3)CC2)C1=O ZINC000337144369 465212898 /nfs/dbraw/zinc/21/28/98/465212898.db2.gz ZYSFDPFKUDJMCV-KRWDZBQOSA-N 1 2 333.863 2.245 20 30 EEEDLO C=CCN1CC[C@H](N2CC[NH+](Cc3cccc(Cl)c3)CC2)C1=O ZINC000337144369 465212906 /nfs/dbraw/zinc/21/29/06/465212906.db2.gz ZYSFDPFKUDJMCV-KRWDZBQOSA-N 1 2 333.863 2.245 20 30 EEEDLO COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000329065759 465221806 /nfs/dbraw/zinc/22/18/06/465221806.db2.gz LAUWZSMDBSBVDD-KXBFYZLASA-N 1 2 348.443 2.422 20 30 EEEDLO COc1cccc(CNC(=O)[C@H](C)[N@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000329065759 465221815 /nfs/dbraw/zinc/22/18/15/465221815.db2.gz LAUWZSMDBSBVDD-KXBFYZLASA-N 1 2 348.443 2.422 20 30 EEEDLO C[C@@H]1C[C@H](NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CCO1 ZINC000329116726 465238679 /nfs/dbraw/zinc/23/86/79/465238679.db2.gz UESHWEZNMSBOHC-NXHRZFHOSA-N 1 2 347.459 2.131 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(F)cc2F)C1=O ZINC000337199749 465239974 /nfs/dbraw/zinc/23/99/74/465239974.db2.gz BFGORDPVKJHQLS-NHYWBVRUSA-N 1 2 337.370 2.011 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(F)cc2F)C1=O ZINC000337199749 465239979 /nfs/dbraw/zinc/23/99/79/465239979.db2.gz BFGORDPVKJHQLS-NHYWBVRUSA-N 1 2 337.370 2.011 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@@]2(C)CCCO2)CCC(=O)N1C1CC1 ZINC000329191164 465261932 /nfs/dbraw/zinc/26/19/32/465261932.db2.gz QJIBCWRRSLIJRB-MZMPZRCHSA-N 1 2 346.431 2.140 20 30 EEEDLO CC(=O)N[C@H](CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)c1cccs1 ZINC000329358309 465310875 /nfs/dbraw/zinc/31/08/75/465310875.db2.gz HNIFJPUQSYEVRJ-ZIAGYGMSSA-N 1 2 338.477 2.358 20 30 EEEDLO CC(=O)N[C@H](CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)c1cccs1 ZINC000329358309 465310878 /nfs/dbraw/zinc/31/08/78/465310878.db2.gz HNIFJPUQSYEVRJ-ZIAGYGMSSA-N 1 2 338.477 2.358 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000127413899 462550148 /nfs/dbraw/zinc/55/01/48/462550148.db2.gz VABWZQNHGKXVIX-GJZGRUSLSA-N 1 2 348.443 2.099 20 30 EEEDLO Cc1cccc([C@@H](CNC(=O)N(C)C[C@H](C)C#N)[NH+]2CCOCC2)c1 ZINC000046249509 462663930 /nfs/dbraw/zinc/66/39/30/462663930.db2.gz YLHIONKIXHFXKZ-SJLPKXTDSA-N 1 2 344.459 2.169 20 30 EEEDLO Cn1ncc2c1nc[nH+]c2SCC(=O)N(CC#N)c1ccccc1 ZINC000011682960 462837173 /nfs/dbraw/zinc/83/71/73/462837173.db2.gz IHVWQKLTMHLDJO-UHFFFAOYSA-N 1 2 338.396 2.012 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1(C(=O)OC)CCCC1 ZINC000133906606 462984178 /nfs/dbraw/zinc/98/41/78/462984178.db2.gz RQLANSZJUFVHMP-INIZCTEOSA-N 1 2 333.428 2.230 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000051315397 463032286 /nfs/dbraw/zinc/03/22/86/463032286.db2.gz XMLKAUAGCDOSTI-CQSZACIVSA-N 1 2 345.443 2.070 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000051315397 463032289 /nfs/dbraw/zinc/03/22/89/463032289.db2.gz XMLKAUAGCDOSTI-CQSZACIVSA-N 1 2 345.443 2.070 20 30 EEEDLO C=C(C)CN(CC)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078316842 463103458 /nfs/dbraw/zinc/10/34/58/463103458.db2.gz KOXPHOHATNPIBV-GOSISDBHSA-N 1 2 331.460 2.495 20 30 EEEDLO C=C(C)CN(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078316842 463103465 /nfs/dbraw/zinc/10/34/65/463103465.db2.gz KOXPHOHATNPIBV-GOSISDBHSA-N 1 2 331.460 2.495 20 30 EEEDLO N#Cc1ccc(/C=C\C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000096019687 463141310 /nfs/dbraw/zinc/14/13/10/463141310.db2.gz CMTAHRCXMMQCJQ-VURMDHGXSA-N 1 2 348.406 2.119 20 30 EEEDLO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000121571245 463160028 /nfs/dbraw/zinc/16/00/28/463160028.db2.gz WBXIEPZUVNOFBH-SJLPKXTDSA-N 1 2 328.460 2.124 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000078970568 463173159 /nfs/dbraw/zinc/17/31/59/463173159.db2.gz OVLMXWFUJMBYPZ-UHFFFAOYSA-N 1 2 331.370 2.468 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3ccco3)CC2)cc1 ZINC000053555448 463173508 /nfs/dbraw/zinc/17/35/08/463173508.db2.gz DYEVSEARWGEMPK-UHFFFAOYSA-N 1 2 338.411 2.221 20 30 EEEDLO C=CCCOCC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000143293363 463366964 /nfs/dbraw/zinc/36/69/64/463366964.db2.gz JSWLSLQTIIQAQH-UHFFFAOYSA-N 1 2 336.407 2.071 20 30 EEEDLO C[C@H]1CCN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000151261997 463501478 /nfs/dbraw/zinc/50/14/78/463501478.db2.gz KBAOUAQOTKSRKO-BBRMVZONSA-N 1 2 330.413 2.027 20 30 EEEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000151346729 463515992 /nfs/dbraw/zinc/51/59/92/463515992.db2.gz RJFFKVFQYHSJDZ-QFBILLFUSA-N 1 2 342.395 2.159 20 30 EEEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000151346729 463515996 /nfs/dbraw/zinc/51/59/96/463515996.db2.gz RJFFKVFQYHSJDZ-QFBILLFUSA-N 1 2 342.395 2.159 20 30 EEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000058159050 463545411 /nfs/dbraw/zinc/54/54/11/463545411.db2.gz ZWPFKNNBJDJOJN-UHFFFAOYSA-N 1 2 336.395 2.025 20 30 EEEDLO Cc1cc(C)cc(CCC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000125487966 463549724 /nfs/dbraw/zinc/54/97/24/463549724.db2.gz YUFZBEVEWHUOAH-UHFFFAOYSA-N 1 2 343.471 2.311 20 30 EEEDLO C=C(C)COCC[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000125685371 463568268 /nfs/dbraw/zinc/56/82/68/463568268.db2.gz GTHVLPDZISIBOR-CYBMUJFWSA-N 1 2 345.212 2.297 20 30 EEEDLO CCc1noc([C@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000042652063 463584130 /nfs/dbraw/zinc/58/41/30/463584130.db2.gz SAHDSECXIXUTIK-AWEZNQCLSA-N 1 2 325.416 2.382 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H](O)c2cccc(Cl)c2)n1 ZINC000491770677 468363646 /nfs/dbraw/zinc/36/36/46/468363646.db2.gz PFNKZVWGQSVQDU-SFHVURJKSA-N 1 2 347.846 2.352 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H](O)c2cccc(Cl)c2)n1 ZINC000491770677 468363648 /nfs/dbraw/zinc/36/36/48/468363648.db2.gz PFNKZVWGQSVQDU-SFHVURJKSA-N 1 2 347.846 2.352 20 30 EEEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3cc(C#N)cs3)CC2)S1 ZINC000085263450 463643101 /nfs/dbraw/zinc/64/31/01/463643101.db2.gz JIBBTDLZSSVYJG-UHFFFAOYSA-N 1 2 334.470 2.259 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1C(=O)OC ZINC000127285305 463694534 /nfs/dbraw/zinc/69/45/34/463694534.db2.gz YTQONSQXBMYWQK-DLBZAZTESA-N 1 2 333.428 2.182 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(=O)OC ZINC000127285305 463694536 /nfs/dbraw/zinc/69/45/36/463694536.db2.gz YTQONSQXBMYWQK-DLBZAZTESA-N 1 2 333.428 2.182 20 30 EEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(CC#N)cc1 ZINC000286883638 463732944 /nfs/dbraw/zinc/73/29/44/463732944.db2.gz CNHMCCRQWICJCF-WMLDXEAASA-N 1 2 328.416 2.080 20 30 EEEDLO CCOCC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000283027726 463738749 /nfs/dbraw/zinc/73/87/49/463738749.db2.gz ORYRJXOTLLEHEQ-UHFFFAOYSA-N 1 2 327.428 2.019 20 30 EEEDLO C=CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000255677205 463742545 /nfs/dbraw/zinc/74/25/45/463742545.db2.gz PUOLOYOJSFHJAB-PKYBCLHXSA-N 1 2 336.413 2.283 20 30 EEEDLO C=CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000255677205 463742548 /nfs/dbraw/zinc/74/25/48/463742548.db2.gz PUOLOYOJSFHJAB-PKYBCLHXSA-N 1 2 336.413 2.283 20 30 EEEDLO CO[C@@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H]1OC ZINC000276836973 463775157 /nfs/dbraw/zinc/77/51/57/463775157.db2.gz HCNBXNKOYVELLM-KDURUIRLSA-N 1 2 341.411 2.083 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H]1OC ZINC000276836973 463775163 /nfs/dbraw/zinc/77/51/63/463775163.db2.gz HCNBXNKOYVELLM-KDURUIRLSA-N 1 2 341.411 2.083 20 30 EEEDLO CN1C(=O)C[C@H]([NH2+]C[C@H](C#N)CCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000568733091 468379420 /nfs/dbraw/zinc/37/94/20/468379420.db2.gz OPWZUQUPDPSXLK-KCTSRDHCSA-N 1 2 332.354 2.270 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)cc1Cl ZINC000178403421 463894796 /nfs/dbraw/zinc/89/47/96/463894796.db2.gz LLSHYCHVWIEAEO-UHFFFAOYSA-N 1 2 346.799 2.338 20 30 EEEDLO C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000195047459 463981856 /nfs/dbraw/zinc/98/18/56/463981856.db2.gz KCXDTUHGPKTOAB-UHFFFAOYSA-N 1 2 343.358 2.383 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278859865 464001236 /nfs/dbraw/zinc/00/12/36/464001236.db2.gz MXGRLWYHGXXPFQ-LSDHHAIUSA-N 1 2 348.422 2.072 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278859865 464001238 /nfs/dbraw/zinc/00/12/38/464001238.db2.gz MXGRLWYHGXXPFQ-LSDHHAIUSA-N 1 2 348.422 2.072 20 30 EEEDLO Cc1ccccc1/C=C/C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000195166270 464009177 /nfs/dbraw/zinc/00/91/77/464009177.db2.gz UUZINYPACKKAQL-BQYQJAHWSA-N 1 2 327.428 2.083 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000287964048 464025998 /nfs/dbraw/zinc/02/59/98/464025998.db2.gz YVODNIWHGNMUIH-OAHLLOKOSA-N 1 2 339.233 2.294 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000287964048 464026004 /nfs/dbraw/zinc/02/60/04/464026004.db2.gz YVODNIWHGNMUIH-OAHLLOKOSA-N 1 2 339.233 2.294 20 30 EEEDLO C=CCN(CC=C)C(=O)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000283911830 464038999 /nfs/dbraw/zinc/03/89/99/464038999.db2.gz LGUHEPNMOVXTLP-UHFFFAOYSA-N 1 2 340.427 2.052 20 30 EEEDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000195518862 464068699 /nfs/dbraw/zinc/06/86/99/464068699.db2.gz OTYARTDGPYIUOE-LBPRGKRZSA-N 1 2 329.404 2.351 20 30 EEEDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000195518862 464068703 /nfs/dbraw/zinc/06/87/03/464068703.db2.gz OTYARTDGPYIUOE-LBPRGKRZSA-N 1 2 329.404 2.351 20 30 EEEDLO C[C@@H](NC(=O)[C@H](C)O[NH+]=C(N)[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000284410407 464182046 /nfs/dbraw/zinc/18/20/46/464182046.db2.gz NNTYIAVEKOMONA-SUNKGSAMSA-N 1 2 339.823 2.374 20 30 EEEDLO C[C@@H]1CN(c2ccc(CNc3nc4ccccn4c3C#N)c[nH+]2)CCO1 ZINC000263944792 464249198 /nfs/dbraw/zinc/24/91/98/464249198.db2.gz BZRANNVOZRTGIJ-CQSZACIVSA-N 1 2 348.410 2.438 20 30 EEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCC(=O)NCc1cccc(Cl)c1 ZINC000174227355 464380711 /nfs/dbraw/zinc/38/07/11/464380711.db2.gz PFXXJTKJAOICCS-GFCCVEGCSA-N 1 2 341.839 2.306 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545932590 468405862 /nfs/dbraw/zinc/40/58/62/468405862.db2.gz RXEDZGLVKXSIOC-GJZGRUSLSA-N 1 2 349.397 2.066 20 30 EEEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)[C@@H](Cc2ccccc2)C1 ZINC000593849814 468407832 /nfs/dbraw/zinc/40/78/32/468407832.db2.gz QOKLXRGJQKVICN-SFHVURJKSA-N 1 2 335.407 2.263 20 30 EEEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)[C@@H](Cc2ccccc2)C1 ZINC000593849814 468407836 /nfs/dbraw/zinc/40/78/36/468407836.db2.gz QOKLXRGJQKVICN-SFHVURJKSA-N 1 2 335.407 2.263 20 30 EEEDLO CC[C@H](C)[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC(=O)OC(C)(C)C ZINC000246285354 464567363 /nfs/dbraw/zinc/56/73/63/464567363.db2.gz NZXCMQGNQZDFBP-KBXCAEBGSA-N 1 2 339.480 2.483 20 30 EEEDLO CC[C@H](C)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC(=O)OC(C)(C)C ZINC000246285354 464567368 /nfs/dbraw/zinc/56/73/68/464567368.db2.gz NZXCMQGNQZDFBP-KBXCAEBGSA-N 1 2 339.480 2.483 20 30 EEEDLO N#Cc1ccc(N2CCN(Cc3c[nH+]c4n3CCC4)CC2)c(F)c1 ZINC000596995765 468411560 /nfs/dbraw/zinc/41/15/60/468411560.db2.gz NUSNBUBEBBRIFD-UHFFFAOYSA-N 1 2 325.391 2.162 20 30 EEEDLO COc1cc(OC)cc(N2CC[C@H]([NH+]3CCC(C#N)CC3)C2=O)c1 ZINC000176220931 464724356 /nfs/dbraw/zinc/72/43/56/464724356.db2.gz HIUDYHFOXMHMDF-KRWDZBQOSA-N 1 2 329.400 2.045 20 30 EEEDLO CC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCNC1=O ZINC000282379837 464796311 /nfs/dbraw/zinc/79/63/11/464796311.db2.gz OHVLDLYXUDDNAG-CQSZACIVSA-N 1 2 326.318 2.147 20 30 EEEDLO CC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCNC1=O ZINC000282379837 464796313 /nfs/dbraw/zinc/79/63/13/464796313.db2.gz OHVLDLYXUDDNAG-CQSZACIVSA-N 1 2 326.318 2.147 20 30 EEEDLO COc1ccc(C[N@@H+]2CC(=O)NCC2(C)C)cc1OCCCC#N ZINC000282764247 464938836 /nfs/dbraw/zinc/93/88/36/464938836.db2.gz PAKSZOHOFNLVLV-UHFFFAOYSA-N 1 2 331.416 2.088 20 30 EEEDLO COc1ccc(C[N@H+]2CC(=O)NCC2(C)C)cc1OCCCC#N ZINC000282764247 464938841 /nfs/dbraw/zinc/93/88/41/464938841.db2.gz PAKSZOHOFNLVLV-UHFFFAOYSA-N 1 2 331.416 2.088 20 30 EEEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000276480938 464949196 /nfs/dbraw/zinc/94/91/96/464949196.db2.gz ODGNYSCWQBQBAN-IHHMQQGQSA-N 1 2 339.439 2.141 20 30 EEEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000276480938 464949199 /nfs/dbraw/zinc/94/91/99/464949199.db2.gz ODGNYSCWQBQBAN-IHHMQQGQSA-N 1 2 339.439 2.141 20 30 EEEDLO CO/N=C/C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000282925000 465004506 /nfs/dbraw/zinc/00/45/06/465004506.db2.gz FNWPSVOEBHWZAD-BUESGFEBSA-N 1 2 327.787 2.364 20 30 EEEDLO CNC(=O)Cc1nc(C[N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)cs1 ZINC000329483416 465348542 /nfs/dbraw/zinc/34/85/42/465348542.db2.gz RVUBHMVCBBXDGN-NSHDSACASA-N 1 2 334.449 2.078 20 30 EEEDLO CNC(=O)Cc1nc(C[N@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)cs1 ZINC000329483416 465348546 /nfs/dbraw/zinc/34/85/46/465348546.db2.gz RVUBHMVCBBXDGN-NSHDSACASA-N 1 2 334.449 2.078 20 30 EEEDLO CNC(=O)Cc1nc(C[N@@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)cs1 ZINC000329483416 465348552 /nfs/dbraw/zinc/34/85/52/465348552.db2.gz RVUBHMVCBBXDGN-NSHDSACASA-N 1 2 334.449 2.078 20 30 EEEDLO CNC(=O)Cc1nc(C[N@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)cs1 ZINC000329483416 465348555 /nfs/dbraw/zinc/34/85/55/465348555.db2.gz RVUBHMVCBBXDGN-NSHDSACASA-N 1 2 334.449 2.078 20 30 EEEDLO CC(=O)N[C@H](C)C1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000330048269 465517005 /nfs/dbraw/zinc/51/70/05/465517005.db2.gz IJRGEKJHFNRRNX-CYBMUJFWSA-N 1 2 341.415 2.484 20 30 EEEDLO CCOCc1ccccc1CNC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352451383 465530661 /nfs/dbraw/zinc/53/06/61/465530661.db2.gz WJMSYZWIASPWRY-UHFFFAOYSA-N 1 2 333.407 2.167 20 30 EEEDLO CCOc1cc(C[N@H+](C)C[C@H](C)C#N)nc2nc(C(F)(F)F)nn21 ZINC000362231264 465591861 /nfs/dbraw/zinc/59/18/61/465591861.db2.gz ZWRLYJMCQCPMOH-SECBINFHSA-N 1 2 342.325 2.133 20 30 EEEDLO CCOc1cc(C[N@@H+](C)C[C@H](C)C#N)nc2nc(C(F)(F)F)nn21 ZINC000362231264 465591868 /nfs/dbraw/zinc/59/18/68/465591868.db2.gz ZWRLYJMCQCPMOH-SECBINFHSA-N 1 2 342.325 2.133 20 30 EEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1CCN(C(=O)N2CCCC2)CC1 ZINC000330287972 465599958 /nfs/dbraw/zinc/59/99/58/465599958.db2.gz BKVBHZJFRIHVHP-OAHLLOKOSA-N 1 2 345.447 2.082 20 30 EEEDLO C=C(C)[C@@H](c1ccc(F)c(F)c1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000348552604 465679134 /nfs/dbraw/zinc/67/91/34/465679134.db2.gz LKEQPZSEIVJGAI-GJZGRUSLSA-N 1 2 346.337 2.468 20 30 EEEDLO C=C(C)[C@@H](c1ccc(F)c(F)c1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000348552604 465679141 /nfs/dbraw/zinc/67/91/41/465679141.db2.gz LKEQPZSEIVJGAI-GJZGRUSLSA-N 1 2 346.337 2.468 20 30 EEEDLO COC(=O)[C@H]1CCCCC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000360989476 465685421 /nfs/dbraw/zinc/68/54/21/465685421.db2.gz KWXNTDKZEZGTKJ-OAHLLOKOSA-N 1 2 332.400 2.363 20 30 EEEDLO COC(=O)[C@H]1CCCCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000360989476 465685426 /nfs/dbraw/zinc/68/54/26/465685426.db2.gz KWXNTDKZEZGTKJ-OAHLLOKOSA-N 1 2 332.400 2.363 20 30 EEEDLO C=C(C)COc1cc(C[N@@H+]2C[C@H](OC)C[C@@H]2C(=O)OC)ccc1OC ZINC000362377408 465691360 /nfs/dbraw/zinc/69/13/60/465691360.db2.gz XRTHIHODQARCRG-HZPDHXFCSA-N 1 2 349.427 2.412 20 30 EEEDLO C=C(C)COc1cc(C[N@H+]2C[C@H](OC)C[C@@H]2C(=O)OC)ccc1OC ZINC000362377408 465691362 /nfs/dbraw/zinc/69/13/62/465691362.db2.gz XRTHIHODQARCRG-HZPDHXFCSA-N 1 2 349.427 2.412 20 30 EEEDLO C=C1CCN(C(=O)[C@@H]2CCC(=O)N(C3CC3)[C@@H]2c2c[nH+]cn2C)CC1 ZINC000344747563 465784780 /nfs/dbraw/zinc/78/47/80/465784780.db2.gz NGBNGZZHHCSTPL-QAPCUYQASA-N 1 2 342.443 2.041 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1C#N ZINC000330754218 465790178 /nfs/dbraw/zinc/79/01/78/465790178.db2.gz YCNRPWUKHHAJQW-NSHDSACASA-N 1 2 348.472 2.183 20 30 EEEDLO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)c1 ZINC000345816015 465906469 /nfs/dbraw/zinc/90/64/69/465906469.db2.gz VHEMQUNYESFHOR-INIZCTEOSA-N 1 2 326.444 2.068 20 30 EEEDLO Cc1c(C#N)cccc1C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000338227644 465918789 /nfs/dbraw/zinc/91/87/89/465918789.db2.gz NRXNQJAWLYSJRH-KRWDZBQOSA-N 1 2 327.428 2.050 20 30 EEEDLO Cc1c(C#N)cccc1C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000338227644 465918797 /nfs/dbraw/zinc/91/87/97/465918797.db2.gz NRXNQJAWLYSJRH-KRWDZBQOSA-N 1 2 327.428 2.050 20 30 EEEDLO Cc1cccc(S(=O)(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1C#N ZINC000366771015 465926488 /nfs/dbraw/zinc/92/64/88/465926488.db2.gz YHCDLDGBRPGSRI-KRWDZBQOSA-N 1 2 341.436 2.332 20 30 EEEDLO Cc1cccc(S(=O)(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1C#N ZINC000366771015 465926492 /nfs/dbraw/zinc/92/64/92/465926492.db2.gz YHCDLDGBRPGSRI-KRWDZBQOSA-N 1 2 341.436 2.332 20 30 EEEDLO C=C(Br)CN1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000362815751 466047582 /nfs/dbraw/zinc/04/75/82/466047582.db2.gz XPBYGLLVOGBHJD-CQSZACIVSA-N 1 2 349.232 2.024 20 30 EEEDLO N#Cc1cc([N+](=O)[O-])cnc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000338414030 466105749 /nfs/dbraw/zinc/10/57/49/466105749.db2.gz WMTLUNTVZJSXKK-UHFFFAOYSA-N 1 2 334.339 2.718 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2c2ccc(F)cc2)CCCCC1 ZINC000331536624 466129155 /nfs/dbraw/zinc/12/91/55/466129155.db2.gz FYJCXDPXLCQLAQ-SJORKVTESA-N 1 2 345.418 2.276 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2c2ccc(F)cc2)CCCCC1 ZINC000331536624 466129165 /nfs/dbraw/zinc/12/91/65/466129165.db2.gz FYJCXDPXLCQLAQ-SJORKVTESA-N 1 2 345.418 2.276 20 30 EEEDLO C[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@]1=O ZINC000353818426 466173867 /nfs/dbraw/zinc/17/38/67/466173867.db2.gz HJWADOCVIITINB-IZHWHUGBSA-N 1 2 342.468 2.417 20 30 EEEDLO C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@]1=O ZINC000353818426 466173877 /nfs/dbraw/zinc/17/38/77/466173877.db2.gz HJWADOCVIITINB-IZHWHUGBSA-N 1 2 342.468 2.417 20 30 EEEDLO CCCCCCCS(=O)(=O)N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000367190503 466181699 /nfs/dbraw/zinc/18/16/99/466181699.db2.gz DWNOKNNPBDRVJZ-OAHLLOKOSA-N 1 2 343.493 2.455 20 30 EEEDLO CCCN(CC)C(=O)c1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000580648646 468480949 /nfs/dbraw/zinc/48/09/49/468480949.db2.gz JSDMZQKHDGVHDT-IBGZPJMESA-N 1 2 344.459 2.132 20 30 EEEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000357918916 466318274 /nfs/dbraw/zinc/31/82/74/466318274.db2.gz BTAVOHIQULYFJX-KGLIPLIRSA-N 1 2 331.416 2.259 20 30 EEEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000357918916 466318280 /nfs/dbraw/zinc/31/82/80/466318280.db2.gz BTAVOHIQULYFJX-KGLIPLIRSA-N 1 2 331.416 2.259 20 30 EEEDLO CN1CC[N@H+](C)C[C@H]1c1noc(C[C@H](CC#N)c2ccccc2)n1 ZINC000350064794 466370881 /nfs/dbraw/zinc/37/08/81/466370881.db2.gz IQWRDDJQQILVEW-HOTGVXAUSA-N 1 2 325.416 2.228 20 30 EEEDLO CN1CC[N@@H+](C)C[C@H]1c1noc(C[C@H](CC#N)c2ccccc2)n1 ZINC000350064794 466370885 /nfs/dbraw/zinc/37/08/85/466370885.db2.gz IQWRDDJQQILVEW-HOTGVXAUSA-N 1 2 325.416 2.228 20 30 EEEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000361995539 466470355 /nfs/dbraw/zinc/47/03/55/466470355.db2.gz HDECOAKYOLUPAF-ZDUSSCGKSA-N 1 2 349.431 2.115 20 30 EEEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000361995539 466470362 /nfs/dbraw/zinc/47/03/62/466470362.db2.gz HDECOAKYOLUPAF-ZDUSSCGKSA-N 1 2 349.431 2.115 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000340976878 466482974 /nfs/dbraw/zinc/48/29/74/466482974.db2.gz BKTZAPLACPPCER-AWEZNQCLSA-N 1 2 345.443 2.070 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000340976878 466482981 /nfs/dbraw/zinc/48/29/81/466482981.db2.gz BKTZAPLACPPCER-AWEZNQCLSA-N 1 2 345.443 2.070 20 30 EEEDLO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000332691026 466553281 /nfs/dbraw/zinc/55/32/81/466553281.db2.gz QKPIYQDXORRCNK-IFXJQAMLSA-N 1 2 329.444 2.496 20 30 EEEDLO COc1cccc2c1CC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000332691026 466553291 /nfs/dbraw/zinc/55/32/91/466553291.db2.gz QKPIYQDXORRCNK-IFXJQAMLSA-N 1 2 329.444 2.496 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000369385100 466729774 /nfs/dbraw/zinc/72/97/74/466729774.db2.gz ICAOHROBMAKPPJ-MRXNPFEDSA-N 1 2 347.459 2.241 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000369385100 466729778 /nfs/dbraw/zinc/72/97/78/466729778.db2.gz ICAOHROBMAKPPJ-MRXNPFEDSA-N 1 2 347.459 2.241 20 30 EEEDLO C[C@@H]1CC(=O)NCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000369418114 466730759 /nfs/dbraw/zinc/73/07/59/466730759.db2.gz MXFGFVUTKBAAMM-GFCCVEGCSA-N 1 2 326.318 2.147 20 30 EEEDLO C[C@@H]1CC(=O)NCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000369418114 466730762 /nfs/dbraw/zinc/73/07/62/466730762.db2.gz MXFGFVUTKBAAMM-GFCCVEGCSA-N 1 2 326.318 2.147 20 30 EEEDLO C[C@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000416598181 466742982 /nfs/dbraw/zinc/74/29/82/466742982.db2.gz UGPWOPIUESZLDO-INIZCTEOSA-N 1 2 347.484 2.216 20 30 EEEDLO C[C@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000416598181 466742988 /nfs/dbraw/zinc/74/29/88/466742988.db2.gz UGPWOPIUESZLDO-INIZCTEOSA-N 1 2 347.484 2.216 20 30 EEEDLO N#CC1(c2ccccn2)CC[NH+](Cc2nc(N)c3ccccc3n2)CC1 ZINC000376737954 466927301 /nfs/dbraw/zinc/92/73/01/466927301.db2.gz QTTIURVREUAHOO-UHFFFAOYSA-N 1 2 344.422 2.664 20 30 EEEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2c(F)cc(C)cc2F)CC1 ZINC000425215972 467088576 /nfs/dbraw/zinc/08/85/76/467088576.db2.gz KJPDWJOSKURNRV-UHFFFAOYSA-N 1 2 330.400 2.202 20 30 EEEDLO CCC[N@H+](CC(N)=O)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000429138855 467304577 /nfs/dbraw/zinc/30/45/77/467304577.db2.gz DNJWTPHYZRKTDP-CYBMUJFWSA-N 1 2 348.472 2.217 20 30 EEEDLO CCC[N@@H+](CC(N)=O)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000429138855 467304578 /nfs/dbraw/zinc/30/45/78/467304578.db2.gz DNJWTPHYZRKTDP-CYBMUJFWSA-N 1 2 348.472 2.217 20 30 EEEDLO C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+](C)CC(C)(C)C#N ZINC000433287579 467315011 /nfs/dbraw/zinc/31/50/11/467315011.db2.gz LSXDZGTVWLUAQB-OAHLLOKOSA-N 1 2 346.450 2.344 20 30 EEEDLO C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+](C)CC(C)(C)C#N ZINC000433287579 467315014 /nfs/dbraw/zinc/31/50/14/467315014.db2.gz LSXDZGTVWLUAQB-OAHLLOKOSA-N 1 2 346.450 2.344 20 30 EEEDLO C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+](C)CC(C)(C)C#N ZINC000433322313 467317926 /nfs/dbraw/zinc/31/79/26/467317926.db2.gz ZVTNLIFHVZIJJQ-HUUCEWRRSA-N 1 2 345.443 2.155 20 30 EEEDLO C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@@H+](C)CC(C)(C)C#N ZINC000433322313 467317927 /nfs/dbraw/zinc/31/79/27/467317927.db2.gz ZVTNLIFHVZIJJQ-HUUCEWRRSA-N 1 2 345.443 2.155 20 30 EEEDLO C=CCn1c(SC[C@@H](O)C[N@H+](C)CCC#N)nnc1-c1ccco1 ZINC000414110689 467378057 /nfs/dbraw/zinc/37/80/57/467378057.db2.gz OLAYXTSZRVIPAP-ZDUSSCGKSA-N 1 2 347.444 2.023 20 30 EEEDLO C=CCn1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccco1 ZINC000414110689 467378060 /nfs/dbraw/zinc/37/80/60/467378060.db2.gz OLAYXTSZRVIPAP-ZDUSSCGKSA-N 1 2 347.444 2.023 20 30 EEEDLO Cc1ccc(C=Cc2nc(SC[C@H](O)C[N@H+](C)CCC#N)n[nH]2)o1 ZINC000414107979 467378178 /nfs/dbraw/zinc/37/81/78/467378178.db2.gz KWSNJBFVVRYKJS-KTRBRXNASA-N 1 2 347.444 2.175 20 30 EEEDLO Cc1ccc(C=Cc2nc(SC[C@H](O)C[N@@H+](C)CCC#N)n[nH]2)o1 ZINC000414107979 467378182 /nfs/dbraw/zinc/37/81/82/467378182.db2.gz KWSNJBFVVRYKJS-KTRBRXNASA-N 1 2 347.444 2.175 20 30 EEEDLO Cc1ccc(Br)cc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414121470 467378968 /nfs/dbraw/zinc/37/89/68/467378968.db2.gz HAADKXSDLNNSNR-ZDUSSCGKSA-N 1 2 327.222 2.343 20 30 EEEDLO Cc1ccc(Br)cc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414121470 467378973 /nfs/dbraw/zinc/37/89/73/467378973.db2.gz HAADKXSDLNNSNR-ZDUSSCGKSA-N 1 2 327.222 2.343 20 30 EEEDLO C=CC(C)(C)CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000452778804 467422718 /nfs/dbraw/zinc/42/27/18/467422718.db2.gz ZIENKXPDDPTDEV-INIZCTEOSA-N 1 2 346.475 2.346 20 30 EEEDLO C=CC(C)(C)CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000452778804 467422723 /nfs/dbraw/zinc/42/27/23/467422723.db2.gz ZIENKXPDDPTDEV-INIZCTEOSA-N 1 2 346.475 2.346 20 30 EEEDLO N#Cc1cccc(C2(C(=O)NCCc3cn4c([nH+]3)CCCC4)CC2)c1 ZINC000435043772 467442879 /nfs/dbraw/zinc/44/28/79/467442879.db2.gz CPTZOQPJXRNNNU-UHFFFAOYSA-N 1 2 334.423 2.482 20 30 EEEDLO C=CCOc1cccc(NC(=O)C(=O)Nc2c[nH+]ccc2OC)c1 ZINC000438673729 467565644 /nfs/dbraw/zinc/56/56/44/467565644.db2.gz VFBZBNARBHTQOX-UHFFFAOYSA-N 1 2 327.340 2.232 20 30 EEEDLO C[N@@H+](CCC#N)CCNC(=O)NC(C)(C)COCc1ccccc1 ZINC000440793716 467571081 /nfs/dbraw/zinc/57/10/81/467571081.db2.gz DHAFMJBCIAXWKR-UHFFFAOYSA-N 1 2 332.448 2.126 20 30 EEEDLO C[N@H+](CCC#N)CCNC(=O)NC(C)(C)COCc1ccccc1 ZINC000440793716 467571082 /nfs/dbraw/zinc/57/10/82/467571082.db2.gz DHAFMJBCIAXWKR-UHFFFAOYSA-N 1 2 332.448 2.126 20 30 EEEDLO C=C(CC)CNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000454401717 467590382 /nfs/dbraw/zinc/59/03/82/467590382.db2.gz XVQXAFHQSKQHDY-UHFFFAOYSA-N 1 2 347.459 2.163 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000457665292 467673825 /nfs/dbraw/zinc/67/38/25/467673825.db2.gz WZQZPJUCCPLSOA-INIZCTEOSA-N 1 2 332.448 2.198 20 30 EEEDLO COc1ccccc1[C@H]1CN(C(=O)c2cc(C)c(C#N)cn2)CC[NH2+]1 ZINC000457769715 467700003 /nfs/dbraw/zinc/70/00/03/467700003.db2.gz BHWONNSRSMRGHL-QGZVFWFLSA-N 1 2 336.395 2.057 20 30 EEEDLO C[C@@H](C(=O)NCC(C)(C)CC#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000457997270 467748462 /nfs/dbraw/zinc/74/84/62/467748462.db2.gz VHAKBCDGRPJNND-HNNXBMFYSA-N 1 2 346.450 2.392 20 30 EEEDLO N#Cc1cccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1Br ZINC000450171627 467792304 /nfs/dbraw/zinc/79/23/04/467792304.db2.gz CFVZNVRQZHKWJZ-JTQLQIEISA-N 1 2 345.200 2.331 20 30 EEEDLO N#Cc1cccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1Br ZINC000450171627 467792306 /nfs/dbraw/zinc/79/23/06/467792306.db2.gz CFVZNVRQZHKWJZ-JTQLQIEISA-N 1 2 345.200 2.331 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1ccc(Br)s1 ZINC000493016890 467820214 /nfs/dbraw/zinc/82/02/14/467820214.db2.gz IHRFLQUKNFKWNR-SCXUMTSISA-N 1 2 342.262 2.484 20 30 EEEDLO CNc1nc(N2CCN(c3ccccc3C#N)CC2)[nH+]c2ccccc21 ZINC000450303303 467821705 /nfs/dbraw/zinc/82/17/05/467821705.db2.gz YDCLSVTUXDGSEM-UHFFFAOYSA-N 1 2 344.422 2.870 20 30 EEEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(F)c(C)c3)CC2)c1C#N ZINC000471828037 467977008 /nfs/dbraw/zinc/97/70/08/467977008.db2.gz SYHMWQTVKOEQKW-UHFFFAOYSA-N 1 2 327.407 2.370 20 30 EEEDLO CC(C)(C#N)CCCCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000515435164 467992350 /nfs/dbraw/zinc/99/23/50/467992350.db2.gz ZBKPRXHYGZWMBK-UHFFFAOYSA-N 1 2 342.443 2.272 20 30 EEEDLO N#CCCC1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000566160789 468146635 /nfs/dbraw/zinc/14/66/35/468146635.db2.gz QAXSMNYFTSQZTG-MRXNPFEDSA-N 1 2 329.448 2.348 20 30 EEEDLO N#CCCC1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000566160789 468146640 /nfs/dbraw/zinc/14/66/40/468146640.db2.gz QAXSMNYFTSQZTG-MRXNPFEDSA-N 1 2 329.448 2.348 20 30 EEEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1cccc(C#N)n1 ZINC000589434290 468150521 /nfs/dbraw/zinc/15/05/21/468150521.db2.gz JHBBOTOARWIFEJ-UHFFFAOYSA-N 1 2 331.379 2.470 20 30 EEEDLO Cc1[nH+]c2cc(NC(=O)C(=O)NCC(C)(C)CCC#N)ccc2n1C ZINC000577789534 468191664 /nfs/dbraw/zinc/19/16/64/468191664.db2.gz CHIJUTRNSALXKO-UHFFFAOYSA-N 1 2 341.415 2.266 20 30 EEEDLO CN(CCC#N)C[C@@H](O)C[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000578186375 468199194 /nfs/dbraw/zinc/19/91/94/468199194.db2.gz JOJWFNIBKVLYAK-HOTGVXAUSA-N 1 2 330.457 2.028 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)CN[C@H](c1nccs1)c1ccccc1 ZINC000578186375 468199202 /nfs/dbraw/zinc/19/92/02/468199202.db2.gz JOJWFNIBKVLYAK-HOTGVXAUSA-N 1 2 330.457 2.028 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)CN[C@H](c1nccs1)c1ccccc1 ZINC000578186375 468199207 /nfs/dbraw/zinc/19/92/07/468199207.db2.gz JOJWFNIBKVLYAK-HOTGVXAUSA-N 1 2 330.457 2.028 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)COc2cccc3ccc(Cl)nc32)CC1 ZINC000490717144 468240460 /nfs/dbraw/zinc/24/04/60/468240460.db2.gz AYHADRYBAMAIRA-UHFFFAOYSA-N 1 2 343.814 2.044 20 30 EEEDLO C#CC[N@@H+](CC1=Nc2ccccc2S(=O)(=O)N1)C1CCCCC1 ZINC000490851336 468257134 /nfs/dbraw/zinc/25/71/34/468257134.db2.gz GSXPAVSJBJREMS-UHFFFAOYSA-N 1 2 331.441 2.276 20 30 EEEDLO C#CC[N@H+](CC1=Nc2ccccc2S(=O)(=O)N1)C1CCCCC1 ZINC000490851336 468257135 /nfs/dbraw/zinc/25/71/35/468257135.db2.gz GSXPAVSJBJREMS-UHFFFAOYSA-N 1 2 331.441 2.276 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nncn3-c3ccccc3)C2)nc1 ZINC000520699667 468265279 /nfs/dbraw/zinc/26/52/79/468265279.db2.gz KSSMAIOTZOZIJC-QGZVFWFLSA-N 1 2 346.394 2.187 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nncn3-c3ccccc3)C2)nc1 ZINC000520699667 468265285 /nfs/dbraw/zinc/26/52/85/468265285.db2.gz KSSMAIOTZOZIJC-QGZVFWFLSA-N 1 2 346.394 2.187 20 30 EEEDLO CCN1CCN(C(=O)NCC2CCC(C#N)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000582704652 468579779 /nfs/dbraw/zinc/57/97/79/468579779.db2.gz YCODEMKVVRFOBM-GPANFISMSA-N 1 2 344.463 2.128 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnn(CC4CC4)c3)CC2)cc1 ZINC000600946981 468692689 /nfs/dbraw/zinc/69/26/89/468692689.db2.gz ZEGOYDCERQUQDU-UHFFFAOYSA-N 1 2 349.438 2.123 20 30 EEEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](C)CO1 ZINC000598000079 468735263 /nfs/dbraw/zinc/73/52/63/468735263.db2.gz XFQUCNOTUIUXNN-LSDHHAIUSA-N 1 2 329.444 2.327 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](C)CO1 ZINC000598000079 468735268 /nfs/dbraw/zinc/73/52/68/468735268.db2.gz XFQUCNOTUIUXNN-LSDHHAIUSA-N 1 2 329.444 2.327 20 30 EEEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1=O ZINC000571295480 468768506 /nfs/dbraw/zinc/76/85/06/468768506.db2.gz ZKGAFZUVXKDWAM-CVEARBPZSA-N 1 2 349.862 2.188 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1coc2ccccc12 ZINC000560464558 468812618 /nfs/dbraw/zinc/81/26/18/468812618.db2.gz PORJRHCLIFIRQQ-UHFFFAOYSA-N 1 2 341.411 2.050 20 30 EEEDLO C[C@@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1[nH+]ccn1C ZINC000598466322 468874928 /nfs/dbraw/zinc/87/49/28/468874928.db2.gz YLJDTYDWCRJEFV-TZMCWYRMSA-N 1 2 341.390 2.135 20 30 EEEDLO CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1c[nH+]c[nH]1 ZINC000595596854 468916767 /nfs/dbraw/zinc/91/67/67/468916767.db2.gz PGBFZYPFMMINJP-UHFFFAOYSA-N 1 2 331.807 2.442 20 30 EEEDLO CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1c[nH]c[nH+]1 ZINC000595596854 468916772 /nfs/dbraw/zinc/91/67/72/468916772.db2.gz PGBFZYPFMMINJP-UHFFFAOYSA-N 1 2 331.807 2.442 20 30 EEEDLO Cc1c(F)c(Br)ccc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000598837582 469019758 /nfs/dbraw/zinc/01/97/58/469019758.db2.gz XBBCFNWCEJHASJ-AWEZNQCLSA-N 1 2 342.212 2.470 20 30 EEEDLO Cc1[nH]c(C#N)cc1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601854423 469060323 /nfs/dbraw/zinc/06/03/23/469060323.db2.gz HKJITBHWHOUXQF-UHFFFAOYSA-N 1 2 341.440 2.073 20 30 EEEDLO CCO[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000598978357 469074172 /nfs/dbraw/zinc/07/41/72/469074172.db2.gz STVNJSUFIADMFX-GOSISDBHSA-N 1 2 329.444 2.264 20 30 EEEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000614925268 469096256 /nfs/dbraw/zinc/09/62/56/469096256.db2.gz XTXIJBDDMYRKHS-ZFWWWQNUSA-N 1 2 341.333 2.128 20 30 EEEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000614925268 469096259 /nfs/dbraw/zinc/09/62/59/469096259.db2.gz XTXIJBDDMYRKHS-ZFWWWQNUSA-N 1 2 341.333 2.128 20 30 EEEDLO C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)c1cccc(C#N)c1 ZINC000588151794 469122729 /nfs/dbraw/zinc/12/27/29/469122729.db2.gz WLSURIUMLSODGH-VKJFTORMSA-N 1 2 342.443 2.124 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000573652826 469177173 /nfs/dbraw/zinc/17/71/73/469177173.db2.gz IALVPFFKXLOXPS-OWCLPIDISA-N 1 2 329.375 2.356 20 30 EEEDLO CC(C)[C@H](NC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccccc1 ZINC000611175772 469181637 /nfs/dbraw/zinc/18/16/37/469181637.db2.gz RFZWJMYLWZDRBS-IBGZPJMESA-N 1 2 328.460 2.031 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCc3sccc3C2)nc1 ZINC000588959801 469183498 /nfs/dbraw/zinc/18/34/98/469183498.db2.gz FXBDXVBFVRRJHJ-UHFFFAOYSA-N 1 2 347.465 2.237 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCc3sccc3C2)nc1 ZINC000588959801 469183503 /nfs/dbraw/zinc/18/35/03/469183503.db2.gz FXBDXVBFVRRJHJ-UHFFFAOYSA-N 1 2 347.465 2.237 20 30 EEEDLO N#CC1(NC(=O)C[NH+]2CCN(c3cccc(F)c3)CC2)CCCCC1 ZINC000603012842 469220391 /nfs/dbraw/zinc/22/03/91/469220391.db2.gz GAILFONJMQHISR-UHFFFAOYSA-N 1 2 344.434 2.290 20 30 EEEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000611471715 469256408 /nfs/dbraw/zinc/25/64/08/469256408.db2.gz QBDCLYPOBIITCI-UHFFFAOYSA-N 1 2 338.411 2.161 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000596703731 469338837 /nfs/dbraw/zinc/33/88/37/469338837.db2.gz STBSNFSADOQRKK-ZIAGYGMSSA-N 1 2 346.431 2.188 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000596703731 469338840 /nfs/dbraw/zinc/33/88/40/469338840.db2.gz STBSNFSADOQRKK-ZIAGYGMSSA-N 1 2 346.431 2.188 20 30 EEEDLO C=CCCOCC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000620189653 469785183 /nfs/dbraw/zinc/78/51/83/469785183.db2.gz WGQZOTPCIBUCLE-GOSISDBHSA-N 1 2 332.444 2.077 20 30 EEEDLO CC[C@@H](Cc1ccccc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000609569658 469941472 /nfs/dbraw/zinc/94/14/72/469941472.db2.gz MVOVFQZNFUQKJM-IBGZPJMESA-N 1 2 343.471 2.330 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCc2[nH+]c[nH]c2C1 ZINC000625436805 470143887 /nfs/dbraw/zinc/14/38/87/470143887.db2.gz RORORVZHQYOLFA-ZDUSSCGKSA-N 1 2 330.457 2.433 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccc(Cl)cc2)nn1 ZINC000640824726 471049068 /nfs/dbraw/zinc/04/90/68/471049068.db2.gz ZWPBXHDIQCBURV-GFCCVEGCSA-N 1 2 331.807 2.244 20 30 EEEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@@H](CCC)c2ccccc2)nn1 ZINC000640855213 471069986 /nfs/dbraw/zinc/06/99/86/471069986.db2.gz QVMCMIGWVVRGFB-SFHVURJKSA-N 1 2 339.443 2.049 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nc(-c3cccs3)no2)nn1 ZINC000640948158 471132742 /nfs/dbraw/zinc/13/27/42/471132742.db2.gz POLQCLDVFNPWIO-LLVKDONJSA-N 1 2 328.401 2.112 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)nn1 ZINC000657438237 471137688 /nfs/dbraw/zinc/13/76/88/471137688.db2.gz XIWPKXSXMBXEGN-OAHLLOKOSA-N 1 2 348.472 2.115 20 30 EEEDLO C=CCN1CC[C@H](N(C)c2nc(C)[nH+]c(C)c2Br)C1=O ZINC000663871468 471557617 /nfs/dbraw/zinc/55/76/17/471557617.db2.gz IBWIWPXHNAJZRU-NSHDSACASA-N 1 2 339.237 2.079 20 30 EEEDLO C=CCCn1cc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)nn1 ZINC000653493451 471638564 /nfs/dbraw/zinc/63/85/64/471638564.db2.gz WTHLSKWBYZWFOZ-UHFFFAOYSA-N 1 2 345.491 2.469 20 30 EEEDLO C=CCCn1cc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)nn1 ZINC000653493451 471638566 /nfs/dbraw/zinc/63/85/66/471638566.db2.gz WTHLSKWBYZWFOZ-UHFFFAOYSA-N 1 2 345.491 2.469 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000105797300 526536151 /nfs/dbraw/zinc/53/61/51/526536151.db2.gz SJLNMYLJPUWAGW-MRXNPFEDSA-N 1 2 348.491 2.222 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000362298599 526695487 /nfs/dbraw/zinc/69/54/87/526695487.db2.gz VPKHCCMTXRHDID-SJORKVTESA-N 1 2 335.492 2.134 20 30 EEEDLO CC(C)[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)c1[nH]cc[nH+]1 ZINC000451553612 535124312 /nfs/dbraw/zinc/12/43/12/535124312.db2.gz YCRXABVOZWNDNK-AWEZNQCLSA-N 1 2 336.392 2.237 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CC(=O)OCC(=O)Nc1cccc(C#N)c1 ZINC000727055484 576393347 /nfs/dbraw/zinc/39/33/47/576393347.db2.gz DIGNBWATMFJRET-UHFFFAOYSA-N 1 2 348.362 2.398 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)nc1 ZINC000728814230 576532439 /nfs/dbraw/zinc/53/24/39/576532439.db2.gz XTHMQPTYPZLBIN-FQEVSTJZSA-N 1 2 349.434 2.175 20 30 EEEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CNc1ccc(C#N)cc1 ZINC000729337359 576634106 /nfs/dbraw/zinc/63/41/06/576634106.db2.gz DTIVADRWZWILCR-MRXNPFEDSA-N 1 2 325.416 2.398 20 30 EEEDLO C#CCC[NH+]1CCC(NC(=O)c2cc(F)c(F)c(O)c2F)CC1 ZINC000755392312 577252307 /nfs/dbraw/zinc/25/23/07/577252307.db2.gz OBNPMDJYRLILRP-UHFFFAOYSA-N 1 2 326.318 2.027 20 30 EEEDLO C=CCn1c(C)nn(C[NH+]2CCC3(C[C@@H]3C(=O)OC)CC2)c1=S ZINC000733790917 577256780 /nfs/dbraw/zinc/25/67/80/577256780.db2.gz GRQQOIMTDHAWQB-CYBMUJFWSA-N 1 2 336.461 2.141 20 30 EEEDLO C=CC[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccncc1 ZINC000734654229 577316247 /nfs/dbraw/zinc/31/62/47/577316247.db2.gz RFCVWBGQYKCJEU-MRXNPFEDSA-N 1 2 332.448 2.109 20 30 EEEDLO C#C[C@@H](NC(=O)NCCC[N@@H+](CC)c1ccccc1)[C@@H]1CCCO1 ZINC000773138303 577318539 /nfs/dbraw/zinc/31/85/39/577318539.db2.gz UDPVNBITMUUSAG-MSOLQXFVSA-N 1 2 329.444 2.383 20 30 EEEDLO C#C[C@@H](NC(=O)NCCC[N@H+](CC)c1ccccc1)[C@@H]1CCCO1 ZINC000773138303 577318541 /nfs/dbraw/zinc/31/85/41/577318541.db2.gz UDPVNBITMUUSAG-MSOLQXFVSA-N 1 2 329.444 2.383 20 30 EEEDLO C#C[C@@H]([NH2+]Cc1nc(-c2ccc(C)c(OC)c2)no1)[C@H]1CCCO1 ZINC000775788729 577445648 /nfs/dbraw/zinc/44/56/48/577445648.db2.gz IZNLGHMAYCXDNY-HUUCEWRRSA-N 1 2 327.384 2.324 20 30 EEEDLO C#C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)[C@@H]1CCCO1 ZINC000775801136 577446331 /nfs/dbraw/zinc/44/63/31/577446331.db2.gz WNEPHLSDYMQXAY-CABCVRRESA-N 1 2 330.819 2.406 20 30 EEEDLO CCNc1nc(N=NCCCc2c[nH+]ccc2C)nc(NCC)n1 ZINC000776723664 577466538 /nfs/dbraw/zinc/46/65/38/577466538.db2.gz KAWKVCUEPMBTNA-UHFFFAOYSA-N 1 2 328.424 2.469 20 30 EEEDLO C#CCN(C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC)C1CC1 ZINC000764678235 577486582 /nfs/dbraw/zinc/48/65/82/577486582.db2.gz LHMOZVIWIUKBBW-KRWDZBQOSA-N 1 2 338.411 2.325 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@](CC)(c2ccc(Cl)cc2)C1=O ZINC000766666611 577523022 /nfs/dbraw/zinc/52/30/22/577523022.db2.gz XZWDMPABTMGPCV-SJKOYZFVSA-N 1 2 333.819 2.408 20 30 EEEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@](CC)(c2ccc(Cl)cc2)C1=O ZINC000766666611 577523023 /nfs/dbraw/zinc/52/30/23/577523023.db2.gz XZWDMPABTMGPCV-SJKOYZFVSA-N 1 2 333.819 2.408 20 30 EEEDLO C[S@@](=O)CC[NH+]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000771148556 577610642 /nfs/dbraw/zinc/61/06/42/577610642.db2.gz WHGOUWLPKIQFAO-HSZRJFAPSA-N 1 2 345.390 2.078 20 30 EEEDLO Cn1nnc2cc(C[N@@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)ccc21 ZINC000761758764 577688911 /nfs/dbraw/zinc/68/89/11/577688911.db2.gz JRJZAIIMSXNWDS-LJQANCHMSA-N 1 2 333.395 2.413 20 30 EEEDLO Cn1nnc2cc(C[N@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)ccc21 ZINC000761758764 577688912 /nfs/dbraw/zinc/68/89/12/577688912.db2.gz JRJZAIIMSXNWDS-LJQANCHMSA-N 1 2 333.395 2.413 20 30 EEEDLO CCc1nn(C)c(Cl)c1C=NNc1ccc(-n2cc[nH+]c2)nn1 ZINC000761834152 577689836 /nfs/dbraw/zinc/68/98/36/577689836.db2.gz FQBMBFKIUXFOBK-UHFFFAOYSA-N 1 2 330.783 2.058 20 30 EEEDLO c1cn(-c2ccc(N=NCc3cccc4c3OCCCO4)nn2)c[nH+]1 ZINC000761846523 577690056 /nfs/dbraw/zinc/69/00/56/577690056.db2.gz OHWVQJPHBBWJCW-UHFFFAOYSA-N 1 2 336.355 2.270 20 30 EEEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)C1CC1 ZINC000763949579 577728551 /nfs/dbraw/zinc/72/85/51/577728551.db2.gz FEPBWDLVFUEBRS-UHFFFAOYSA-N 1 2 339.439 2.395 20 30 EEEDLO C#CC[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)C1CC1 ZINC000763949579 577728552 /nfs/dbraw/zinc/72/85/52/577728552.db2.gz FEPBWDLVFUEBRS-UHFFFAOYSA-N 1 2 339.439 2.395 20 30 EEEDLO CC(=[NH+]N[C@@H]1CCS(=O)(=O)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000754693728 577810984 /nfs/dbraw/zinc/81/09/84/577810984.db2.gz JIPCBWFHAVXRJB-SECBINFHSA-N 1 2 336.244 2.076 20 30 EEEDLO CC(C)C[N@H+](CCC#N)CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000755669115 577828879 /nfs/dbraw/zinc/82/88/79/577828879.db2.gz DGBCWHLTSWQCPU-UHFFFAOYSA-N 1 2 346.450 2.346 20 30 EEEDLO CC(C)C[N@@H+](CCC#N)CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000755669115 577828880 /nfs/dbraw/zinc/82/88/80/577828880.db2.gz DGBCWHLTSWQCPU-UHFFFAOYSA-N 1 2 346.450 2.346 20 30 EEEDLO CC[NH+](CC)[C@H](C(=O)O[C@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000744998392 577906568 /nfs/dbraw/zinc/90/65/68/577906568.db2.gz RSYQMLCMPCJDKN-WBVHZDCISA-N 1 2 345.443 2.373 20 30 EEEDLO N#Cc1cccc(CNC(=O)CO[NH+]=C(N)c2cccc(Cl)c2)c1 ZINC000746095698 577922249 /nfs/dbraw/zinc/92/22/49/577922249.db2.gz ZHQPFZVMILGCBN-UHFFFAOYSA-N 1 2 342.786 2.375 20 30 EEEDLO COc1ncnc(N)c1C=[NH+]Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000747629804 577947202 /nfs/dbraw/zinc/94/72/02/577947202.db2.gz DOCJNWLKCBZMKG-UHFFFAOYSA-N 1 2 336.277 2.404 20 30 EEEDLO Cc1cc(C(=O)N[C@@H](C)C2C[NH+](CC#Cc3ccc(F)cc3)C2)on1 ZINC000969270435 674772865 /nfs/dbraw/zinc/77/28/65/674772865.db2.gz XHMZZAZPYPZICP-AWEZNQCLSA-N 1 2 341.386 2.224 20 30 EEEDLO C[C@@H](NC(=O)[C@H]1CCOC1)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000969370157 674908248 /nfs/dbraw/zinc/90/82/48/674908248.db2.gz JYYOFPRDZDZZGV-ZBFHGGJFSA-N 1 2 346.858 2.165 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2nccs2)C1 ZINC000972600853 679406568 /nfs/dbraw/zinc/40/65/68/679406568.db2.gz FCHSTOZYTGQJST-JTQLQIEISA-N 1 2 330.251 2.198 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2nccs2)C1 ZINC000972600853 679406570 /nfs/dbraw/zinc/40/65/70/679406570.db2.gz FCHSTOZYTGQJST-JTQLQIEISA-N 1 2 330.251 2.198 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3csnn3)C2)cc1 ZINC000969546079 675100371 /nfs/dbraw/zinc/10/03/71/675100371.db2.gz OSBKSSYXEORJBR-IUODEOHRSA-N 1 2 326.425 2.085 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cncc(F)c2)C1 ZINC000969692207 675168669 /nfs/dbraw/zinc/16/86/69/675168669.db2.gz LVJJCOAZAMPIOL-XWIAVFTESA-N 1 2 347.434 2.138 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2Cc3c(cccc3C)O2)C1 ZINC000970752158 676126090 /nfs/dbraw/zinc/12/60/90/676126090.db2.gz NSKLQWSPXTUOLC-DYVFJYSZSA-N 1 2 334.847 2.488 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(-c3cn[nH]c3)cn2)C1 ZINC000969999216 675373869 /nfs/dbraw/zinc/37/38/69/675373869.db2.gz XHOPBSANPMJKKD-LBPRGKRZSA-N 1 2 345.834 2.274 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c[nH]nc2-c2ccco2)C1 ZINC000970904653 676227739 /nfs/dbraw/zinc/22/77/39/676227739.db2.gz RKIKWXRZJSTTIM-NSHDSACASA-N 1 2 334.807 2.472 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)C2C[NH+](Cc3cnc(C)cn3)C2)CC1 ZINC000970377992 675831075 /nfs/dbraw/zinc/83/10/75/675831075.db2.gz UTISPEVDDBYWDA-HNNXBMFYSA-N 1 2 328.460 2.468 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccnc(-n3cccn3)c2)C1 ZINC000970401083 675855450 /nfs/dbraw/zinc/85/54/50/675855450.db2.gz JLUGFOBJWOJCOV-CYBMUJFWSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2ccnc2C)C1 ZINC001021737513 676395398 /nfs/dbraw/zinc/39/53/98/676395398.db2.gz VADIEHYUWSJRJP-JKSUJKDBSA-N 1 2 336.867 2.257 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2ccnc2C)C1 ZINC001021737513 676395400 /nfs/dbraw/zinc/39/54/00/676395400.db2.gz VADIEHYUWSJRJP-JKSUJKDBSA-N 1 2 336.867 2.257 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2noc3c2CC(C)(C)CC3)C1 ZINC000971212431 676443617 /nfs/dbraw/zinc/44/36/17/676443617.db2.gz YWBRSHCBOJYVJB-KGLIPLIRSA-N 1 2 344.459 2.382 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2noc3c2CC(C)(C)CC3)C1 ZINC000971212431 676443618 /nfs/dbraw/zinc/44/36/18/676443618.db2.gz YWBRSHCBOJYVJB-KGLIPLIRSA-N 1 2 344.459 2.382 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(OC)no2)C1 ZINC000971602964 676643592 /nfs/dbraw/zinc/64/35/92/676643592.db2.gz NMCMAKKYYJTHIT-GFCCVEGCSA-N 1 2 341.839 2.495 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(OC)no2)C1 ZINC000971602964 676643596 /nfs/dbraw/zinc/64/35/96/676643596.db2.gz NMCMAKKYYJTHIT-GFCCVEGCSA-N 1 2 341.839 2.495 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000891740341 676810108 /nfs/dbraw/zinc/81/01/08/676810108.db2.gz UNIVBRPENGIPRG-DLBZAZTESA-N 1 2 346.402 2.172 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000891740341 676810110 /nfs/dbraw/zinc/81/01/10/676810110.db2.gz UNIVBRPENGIPRG-DLBZAZTESA-N 1 2 346.402 2.172 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3cc(OC)no3)C2)cc1 ZINC000972058123 678184276 /nfs/dbraw/zinc/18/42/76/678184276.db2.gz FSNSVHBLQDLLTJ-INIZCTEOSA-N 1 2 339.395 2.011 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3cc(OC)no3)C2)cc1 ZINC000972058123 678184278 /nfs/dbraw/zinc/18/42/78/678184278.db2.gz FSNSVHBLQDLLTJ-INIZCTEOSA-N 1 2 339.395 2.011 20 30 EEEDLO CNc1cc(N2CCN(c3c(C#N)cnc4ccccc43)CC2)nc[nH+]1 ZINC000892170254 678196908 /nfs/dbraw/zinc/19/69/08/678196908.db2.gz FKJGGPRFHXGOPP-UHFFFAOYSA-N 1 2 345.410 2.265 20 30 EEEDLO CNc1cc(N2CCN(c3c(C#N)cnc4ccccc43)CC2)[nH+]cn1 ZINC000892170254 678196911 /nfs/dbraw/zinc/19/69/11/678196911.db2.gz FKJGGPRFHXGOPP-UHFFFAOYSA-N 1 2 345.410 2.265 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([N@H+](C)[C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000972081888 678219641 /nfs/dbraw/zinc/21/96/41/678219641.db2.gz KVTVPQSZFCSSGQ-JKSUJKDBSA-N 1 2 347.434 2.097 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)[C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000972081888 678219644 /nfs/dbraw/zinc/21/96/44/678219644.db2.gz KVTVPQSZFCSSGQ-JKSUJKDBSA-N 1 2 347.434 2.097 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC000972182814 678364740 /nfs/dbraw/zinc/36/47/40/678364740.db2.gz MUQDGUKOFICZEP-ARFHVFGLSA-N 1 2 344.459 2.106 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC000972375970 678623290 /nfs/dbraw/zinc/62/32/90/678623290.db2.gz UMPCSTRIJRJNGX-XHSDSOJGSA-N 1 2 335.473 2.075 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2csc(C)n2)C1 ZINC000972375970 678623294 /nfs/dbraw/zinc/62/32/94/678623294.db2.gz UMPCSTRIJRJNGX-XHSDSOJGSA-N 1 2 335.473 2.075 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cc3ccccc3F)C2)C1 ZINC000972548884 679252587 /nfs/dbraw/zinc/25/25/87/679252587.db2.gz JYORBSZSZUNXEX-JXFKEZNVSA-N 1 2 346.446 2.494 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cc3ccccc3F)C2)C1 ZINC000972548884 679252589 /nfs/dbraw/zinc/25/25/89/679252589.db2.gz JYORBSZSZUNXEX-JXFKEZNVSA-N 1 2 346.446 2.494 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3cccc(C)c3)C2)C1 ZINC000972571473 679328486 /nfs/dbraw/zinc/32/84/86/679328486.db2.gz DCRCNFXBCXDMDN-XLIONFOSSA-N 1 2 326.440 2.035 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3cccc(C)c3)C2)C1 ZINC000972571473 679328489 /nfs/dbraw/zinc/32/84/89/679328489.db2.gz DCRCNFXBCXDMDN-XLIONFOSSA-N 1 2 326.440 2.035 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3sc(C)cc3OC)C2)C1 ZINC000972582335 679352198 /nfs/dbraw/zinc/35/21/98/679352198.db2.gz LCPNIYBTSDBNKR-KRWDZBQOSA-N 1 2 336.457 2.168 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3sc(C)cc3OC)C2)C1 ZINC000972582335 679352200 /nfs/dbraw/zinc/35/22/00/679352200.db2.gz LCPNIYBTSDBNKR-KRWDZBQOSA-N 1 2 336.457 2.168 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccccc3F)C2)C1 ZINC000972601689 679408364 /nfs/dbraw/zinc/40/83/64/679408364.db2.gz JBJTUAVQPFPYMW-BEFAXECRSA-N 1 2 332.419 2.419 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccccc3F)C2)C1 ZINC000972601689 679408367 /nfs/dbraw/zinc/40/83/67/679408367.db2.gz JBJTUAVQPFPYMW-BEFAXECRSA-N 1 2 332.419 2.419 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)nn(CCC)c3C)C2)C1 ZINC000972626368 679450538 /nfs/dbraw/zinc/45/05/38/679450538.db2.gz BVQSHKJDMVKDJQ-LJQANCHMSA-N 1 2 346.475 2.013 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)nn(CCC)c3C)C2)C1 ZINC000972626368 679450539 /nfs/dbraw/zinc/45/05/39/679450539.db2.gz BVQSHKJDMVKDJQ-LJQANCHMSA-N 1 2 346.475 2.013 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4ccccc4n3)C2)C1 ZINC000972651939 679512158 /nfs/dbraw/zinc/51/21/58/679512158.db2.gz ZHTOHILUPSXJNS-HXUWFJFHSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4ccccc4n3)C2)C1 ZINC000972651939 679512159 /nfs/dbraw/zinc/51/21/59/679512159.db2.gz ZHTOHILUPSXJNS-HXUWFJFHSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)COc3ccccc3CC)C2)C1 ZINC000972658435 679522421 /nfs/dbraw/zinc/52/24/21/679522421.db2.gz FVQOJAVBGAIRGE-HXUWFJFHSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)COc3ccccc3CC)C2)C1 ZINC000972658435 679522423 /nfs/dbraw/zinc/52/24/23/679522423.db2.gz FVQOJAVBGAIRGE-HXUWFJFHSA-N 1 2 344.455 2.117 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3nc(C)cs3)C2)cn1 ZINC000972755621 679749010 /nfs/dbraw/zinc/74/90/10/679749010.db2.gz GDCJOWSPBCTZOD-INIZCTEOSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3nc(C)cs3)C2)cn1 ZINC000972755621 679749013 /nfs/dbraw/zinc/74/90/13/679749013.db2.gz GDCJOWSPBCTZOD-INIZCTEOSA-N 1 2 340.452 2.174 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2ccc(F)cn2)C(C)(C)C1 ZINC000974739359 685380151 /nfs/dbraw/zinc/38/01/51/685380151.db2.gz YKTXSTAXUWCVKS-AWEZNQCLSA-N 1 2 325.815 2.342 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2ccc(F)cn2)C(C)(C)C1 ZINC000974739359 685380159 /nfs/dbraw/zinc/38/01/59/685380159.db2.gz YKTXSTAXUWCVKS-AWEZNQCLSA-N 1 2 325.815 2.342 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2n[nH]c3c2CCCC3)C(C)(C)C1 ZINC000974773559 685423376 /nfs/dbraw/zinc/42/33/76/685423376.db2.gz KUACDMITBSTGIR-CQSZACIVSA-N 1 2 336.867 2.481 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2n[nH]c3c2CCCC3)C(C)(C)C1 ZINC000974773559 685423378 /nfs/dbraw/zinc/42/33/78/685423378.db2.gz KUACDMITBSTGIR-CQSZACIVSA-N 1 2 336.867 2.481 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cnn2cc(C)cnc12 ZINC001024685123 681344251 /nfs/dbraw/zinc/34/42/51/681344251.db2.gz GGOLWQUXAWLKLU-AWEZNQCLSA-N 1 2 347.850 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn2cc(C)cnc12 ZINC001024685123 681344255 /nfs/dbraw/zinc/34/42/55/681344255.db2.gz GGOLWQUXAWLKLU-AWEZNQCLSA-N 1 2 347.850 2.375 20 30 EEEDLO C[C@@H]1C[C@H](C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)CCO1 ZINC000982965647 681588637 /nfs/dbraw/zinc/58/86/37/681588637.db2.gz AYUJKSAEOUQIQM-UYAOXDASSA-N 1 2 340.467 2.388 20 30 EEEDLO C[C@@H]1C[C@H](C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)CCO1 ZINC000982965647 681588642 /nfs/dbraw/zinc/58/86/42/681588642.db2.gz AYUJKSAEOUQIQM-UYAOXDASSA-N 1 2 340.467 2.388 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)o1 ZINC000973006185 681836847 /nfs/dbraw/zinc/83/68/47/681836847.db2.gz PSLJXCZLEPVSDL-WFASDCNBSA-N 1 2 341.415 2.384 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)o1 ZINC000973006185 681836854 /nfs/dbraw/zinc/83/68/54/681836854.db2.gz PSLJXCZLEPVSDL-WFASDCNBSA-N 1 2 341.415 2.384 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cccc2nn[nH]c21 ZINC001025232383 682266862 /nfs/dbraw/zinc/26/68/62/682266862.db2.gz LUOMMAHCTIOFBC-SJORKVTESA-N 1 2 337.427 2.050 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cccc2nn[nH]c21 ZINC001025232383 682266865 /nfs/dbraw/zinc/26/68/65/682266865.db2.gz LUOMMAHCTIOFBC-SJORKVTESA-N 1 2 337.427 2.050 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cccc2nn[nH]c21 ZINC001025232381 682267180 /nfs/dbraw/zinc/26/71/80/682267180.db2.gz LUOMMAHCTIOFBC-IRXDYDNUSA-N 1 2 337.427 2.050 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cccc2nn[nH]c21 ZINC001025232381 682267182 /nfs/dbraw/zinc/26/71/82/682267182.db2.gz LUOMMAHCTIOFBC-IRXDYDNUSA-N 1 2 337.427 2.050 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1cccnc1 ZINC001006547388 682287220 /nfs/dbraw/zinc/28/72/20/682287220.db2.gz UBOGTBMBINCXTA-IBGZPJMESA-N 1 2 337.398 2.467 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)c1cccnc1 ZINC001006547388 682287224 /nfs/dbraw/zinc/28/72/24/682287224.db2.gz UBOGTBMBINCXTA-IBGZPJMESA-N 1 2 337.398 2.467 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000973761109 683446113 /nfs/dbraw/zinc/44/61/13/683446113.db2.gz WKMYTMKGMRDCFX-ZBFHGGJFSA-N 1 2 344.459 2.004 20 30 EEEDLO CC#CC[C@H](CO)[NH2+]Cc1nc(N(C)C)n(-c2ccccc2)c1Cl ZINC000895098535 683884390 /nfs/dbraw/zinc/88/43/90/683884390.db2.gz KWPNBUCODMACNO-CQSZACIVSA-N 1 2 346.862 2.456 20 30 EEEDLO O=C1[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2Cl)CCCN1O ZINC000895157698 684145391 /nfs/dbraw/zinc/14/53/91/684145391.db2.gz DVYGHVXRAVREOV-AWEZNQCLSA-N 1 2 334.807 2.055 20 30 EEEDLO C#CC[C@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccccc2)n1 ZINC000895490125 684619078 /nfs/dbraw/zinc/61/90/78/684619078.db2.gz MMVCFNOUVKSVBE-CQSZACIVSA-N 1 2 329.425 2.302 20 30 EEEDLO Cc1cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001058734535 685025136 /nfs/dbraw/zinc/02/51/36/685025136.db2.gz WIHRCBKWOLCHAU-TUKIKUTGSA-N 1 2 325.416 2.002 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3C#N)CC2(C)C)nn1 ZINC000974596998 685112054 /nfs/dbraw/zinc/11/20/54/685112054.db2.gz LFKJDSBGPOEQDX-SFHVURJKSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3C#N)CC2(C)C)nn1 ZINC000974596998 685112057 /nfs/dbraw/zinc/11/20/57/685112057.db2.gz LFKJDSBGPOEQDX-SFHVURJKSA-N 1 2 349.438 2.297 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cc2ncccc2OC)C(C)(C)C1 ZINC000974964081 685817409 /nfs/dbraw/zinc/81/74/09/685817409.db2.gz JWZBAELJCHBZJP-HNNXBMFYSA-N 1 2 337.851 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cc2ncccc2OC)C(C)(C)C1 ZINC000974964081 685817415 /nfs/dbraw/zinc/81/74/15/685817415.db2.gz JWZBAELJCHBZJP-HNNXBMFYSA-N 1 2 337.851 2.212 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)cn2)CC1(C)C ZINC000975063292 686091772 /nfs/dbraw/zinc/09/17/72/686091772.db2.gz JLBAFKDUSUDQEM-IXDOHACOSA-N 1 2 347.434 2.138 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)cn2)CC1(C)C ZINC000975063292 686091776 /nfs/dbraw/zinc/09/17/76/686091776.db2.gz JLBAFKDUSUDQEM-IXDOHACOSA-N 1 2 347.434 2.138 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2csc(Cl)n2)C1 ZINC001029679239 686769158 /nfs/dbraw/zinc/76/91/58/686769158.db2.gz YFCKOWKWGWMYKV-MNOVXSKESA-N 1 2 326.853 2.236 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2csc(Cl)n2)C1 ZINC001029679239 686769160 /nfs/dbraw/zinc/76/91/60/686769160.db2.gz YFCKOWKWGWMYKV-MNOVXSKESA-N 1 2 326.853 2.236 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC([N@H+](C)Cc2csnn2)CC1 ZINC000985472436 686979534 /nfs/dbraw/zinc/97/95/34/686979534.db2.gz MLCZLQIXBFVHIZ-UHFFFAOYSA-N 1 2 345.472 2.262 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC([N@@H+](C)Cc2csnn2)CC1 ZINC000985472436 686979540 /nfs/dbraw/zinc/97/95/40/686979540.db2.gz MLCZLQIXBFVHIZ-UHFFFAOYSA-N 1 2 345.472 2.262 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC([N@@H+](C)Cc2nnnn2C(C)C)CC1 ZINC000985567871 687164630 /nfs/dbraw/zinc/16/46/30/687164630.db2.gz BGIYITOJDWICBN-UHFFFAOYSA-N 1 2 348.495 2.279 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC([N@H+](C)Cc2nnnn2C(C)C)CC1 ZINC000985567871 687164635 /nfs/dbraw/zinc/16/46/35/687164635.db2.gz BGIYITOJDWICBN-UHFFFAOYSA-N 1 2 348.495 2.279 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001059688063 688141086 /nfs/dbraw/zinc/14/10/86/688141086.db2.gz HSGQKOGBPJINSW-TXEJJXNPSA-N 1 2 327.363 2.031 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001007031884 689516249 /nfs/dbraw/zinc/51/62/49/689516249.db2.gz YXMWAXFVYOTFCU-QGZVFWFLSA-N 1 2 333.395 2.152 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001007031884 689516252 /nfs/dbraw/zinc/51/62/52/689516252.db2.gz YXMWAXFVYOTFCU-QGZVFWFLSA-N 1 2 333.395 2.152 20 30 EEEDLO C=CCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001059854879 690303485 /nfs/dbraw/zinc/30/34/85/690303485.db2.gz RARJQDRKBSTRFB-BZUAXINKSA-N 1 2 344.459 2.224 20 30 EEEDLO C=CCCCC(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001059854879 690303489 /nfs/dbraw/zinc/30/34/89/690303489.db2.gz RARJQDRKBSTRFB-BZUAXINKSA-N 1 2 344.459 2.224 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)C[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)c(C)[nH+]1 ZINC000988282348 690459898 /nfs/dbraw/zinc/45/98/98/690459898.db2.gz CSBKCEMTEWZRGS-CJNGLKHVSA-N 1 2 342.443 2.087 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc(Br)[nH]n2)C1 ZINC000988911552 691291516 /nfs/dbraw/zinc/29/15/16/691291516.db2.gz INAUXYXBHFHCAR-RKDXNWHRSA-N 1 2 347.644 2.117 20 30 EEEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H](c3ccnn3C)C2)cc1 ZINC000897557861 691608157 /nfs/dbraw/zinc/60/81/57/691608157.db2.gz CCOPYCMVYDKIMK-KBXCAEBGSA-N 1 2 326.400 2.284 20 30 EEEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H](c3ccnn3C)C2)cc1 ZINC000897557861 691608163 /nfs/dbraw/zinc/60/81/63/691608163.db2.gz CCOPYCMVYDKIMK-KBXCAEBGSA-N 1 2 326.400 2.284 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@]2(NC(=O)c3cn[nH]c3)CCC[C@@H]12 ZINC000989973077 692544745 /nfs/dbraw/zinc/54/47/45/692544745.db2.gz DKRGXIJVWZDHGC-TZMCWYRMSA-N 1 2 339.237 2.045 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@]2(NC(=O)c3cn[nH]c3)CCC[C@@H]12 ZINC000989973077 692544748 /nfs/dbraw/zinc/54/47/48/692544748.db2.gz DKRGXIJVWZDHGC-TZMCWYRMSA-N 1 2 339.237 2.045 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1C[N@H+](CC#Cc2ccccc2)CC1(C)C ZINC000977423705 692615027 /nfs/dbraw/zinc/61/50/27/692615027.db2.gz HYPQQSPQZHJVKB-KRWDZBQOSA-N 1 2 337.423 2.475 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1C[N@@H+](CC#Cc2ccccc2)CC1(C)C ZINC000977423705 692615030 /nfs/dbraw/zinc/61/50/30/692615030.db2.gz HYPQQSPQZHJVKB-KRWDZBQOSA-N 1 2 337.423 2.475 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cc3c([nH]c2=O)CCC3)C(C)(C)C1 ZINC000977572638 692764991 /nfs/dbraw/zinc/76/49/91/692764991.db2.gz CHMINQLNGWSUFS-OAHLLOKOSA-N 1 2 349.862 2.469 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cc3c([nH]c2=O)CCC3)C(C)(C)C1 ZINC000977572638 692764995 /nfs/dbraw/zinc/76/49/95/692764995.db2.gz CHMINQLNGWSUFS-OAHLLOKOSA-N 1 2 349.862 2.469 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2nccs2)C1 ZINC001027583932 693266060 /nfs/dbraw/zinc/26/60/60/693266060.db2.gz DNNKCFLRXZRIPU-ZNMIVQPWSA-N 1 2 335.473 2.157 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2nccs2)C1 ZINC001027583932 693266063 /nfs/dbraw/zinc/26/60/63/693266063.db2.gz DNNKCFLRXZRIPU-ZNMIVQPWSA-N 1 2 335.473 2.157 20 30 EEEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)c3ncccc3F)C2)ccc1F ZINC001032072521 1192158224 /nfs/dbraw/zinc/15/82/24/1192158224.db2.gz SZWVZJXBAUKWEZ-UHFFFAOYSA-N 1 2 342.349 2.093 20 30 EEEDLO COc1ccccc1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001032143662 1192773318 /nfs/dbraw/zinc/77/33/18/1192773318.db2.gz DAZSMPVOJAEIKQ-UHFFFAOYSA-N 1 2 341.436 2.490 20 30 EEEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)[C@@H]1CCCCO1 ZINC001493285598 1178232193 /nfs/dbraw/zinc/23/21/93/1178232193.db2.gz ACQVZYPYTHHJDB-ZDUSSCGKSA-N 1 2 333.270 2.292 20 30 EEEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)[C@@H]1CCCCO1 ZINC001493285598 1178232199 /nfs/dbraw/zinc/23/21/99/1178232199.db2.gz ACQVZYPYTHHJDB-ZDUSSCGKSA-N 1 2 333.270 2.292 20 30 EEEDLO CC(=O)CCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001481711728 1182290392 /nfs/dbraw/zinc/29/03/92/1182290392.db2.gz ACNHYBCXRJTJOO-CQSZACIVSA-N 1 2 333.457 2.412 20 30 EEEDLO CC(=O)CCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001481711728 1182290395 /nfs/dbraw/zinc/29/03/95/1182290395.db2.gz ACNHYBCXRJTJOO-CQSZACIVSA-N 1 2 333.457 2.412 20 30 EEEDLO C=CCNC(=O)[C@H]1CC12CCN(C(=O)c1c[nH]c3cc[nH+]cc13)CC2 ZINC001270138965 1184875602 /nfs/dbraw/zinc/87/56/02/1184875602.db2.gz NOHIJXXFLJFAEL-OAHLLOKOSA-N 1 2 338.411 2.107 20 30 EEEDLO Cc1c(-c2cc(CO[NH+]=C(N)Cc3ccccc3)on2)cnn1C ZINC000185757510 1193364192 /nfs/dbraw/zinc/36/41/92/1193364192.db2.gz IEKNOVQSRIVDIU-UHFFFAOYSA-N 1 2 325.372 2.415 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCOC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088487414 1187015950 /nfs/dbraw/zinc/01/59/50/1187015950.db2.gz ZJDWMVSIPZLDAS-SIIHOXLZSA-N 1 2 345.418 2.203 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCOC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088487414 1187015953 /nfs/dbraw/zinc/01/59/53/1187015953.db2.gz ZJDWMVSIPZLDAS-SIIHOXLZSA-N 1 2 345.418 2.203 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)/C=C\C(C)(C)C ZINC001212047785 1187641453 /nfs/dbraw/zinc/64/14/53/1187641453.db2.gz PBLGPSCZOSCOJT-ZWHYWQQASA-N 1 2 341.455 2.476 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)/C=C\C(C)(C)C ZINC001212047785 1187641459 /nfs/dbraw/zinc/64/14/59/1187641459.db2.gz PBLGPSCZOSCOJT-ZWHYWQQASA-N 1 2 341.455 2.476 20 30 EEEDLO Cc1cc(N(C)CCN(C)C(=O)c2cccc3[nH+]ccn32)c(C#N)cn1 ZINC001105501821 1188121398 /nfs/dbraw/zinc/12/13/98/1188121398.db2.gz KCXNUVDPGHPVSD-UHFFFAOYSA-N 1 2 348.410 2.118 20 30 EEEDLO N#Cc1ccc(NC[C@@H]2CCC[C@H]2NC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC001105653921 1188374147 /nfs/dbraw/zinc/37/41/47/1188374147.db2.gz CCFPYFWBVSCSRX-XJKSGUPXSA-N 1 2 338.415 2.006 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)[C@H]1C ZINC001088781934 1188503013 /nfs/dbraw/zinc/50/30/13/1188503013.db2.gz QKDDHFIAVWZXST-SNPRPXQTSA-N 1 2 347.846 2.444 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)[C@H]1C ZINC001088781934 1188503015 /nfs/dbraw/zinc/50/30/15/1188503015.db2.gz QKDDHFIAVWZXST-SNPRPXQTSA-N 1 2 347.846 2.444 20 30 EEEDLO C[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001076134896 1188733970 /nfs/dbraw/zinc/73/39/70/1188733970.db2.gz ZNIWBUZCEXWATM-KBEZCGTCSA-N 1 2 327.403 2.386 20 30 EEEDLO C[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001076134896 1188733974 /nfs/dbraw/zinc/73/39/74/1188733974.db2.gz ZNIWBUZCEXWATM-KBEZCGTCSA-N 1 2 327.403 2.386 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001076691314 1189110985 /nfs/dbraw/zinc/11/09/85/1189110985.db2.gz SQXKFDCFXGNFSK-KGLIPLIRSA-N 1 2 334.464 2.202 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001076691314 1189110988 /nfs/dbraw/zinc/11/09/88/1189110988.db2.gz SQXKFDCFXGNFSK-KGLIPLIRSA-N 1 2 334.464 2.202 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001077148149 1189359178 /nfs/dbraw/zinc/35/91/78/1189359178.db2.gz ZBFRSEXYLGVSDC-CABCVRRESA-N 1 2 347.459 2.246 20 30 EEEDLO Cc1nc(CC(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)cs1 ZINC001483702446 1190776374 /nfs/dbraw/zinc/77/63/74/1190776374.db2.gz ONRPBWJRGBAWKY-CYBMUJFWSA-N 1 2 346.481 2.318 20 30 EEEDLO Cc1nc(CC(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)cs1 ZINC001483702446 1190776376 /nfs/dbraw/zinc/77/63/76/1190776376.db2.gz ONRPBWJRGBAWKY-CYBMUJFWSA-N 1 2 346.481 2.318 20 30 EEEDLO C=CCCCCC[NH+]1CC2(C1)CN(Cc1c(C)noc1C)C(=O)CO2 ZINC001272699963 1191804777 /nfs/dbraw/zinc/80/47/77/1191804777.db2.gz QWTINAJYBQIOLB-UHFFFAOYSA-N 1 2 347.459 2.451 20 30 EEEDLO COCC[N@H+](CCNC(=O)[C@H](C)C#N)[C@H](C)c1cc(F)ccc1F ZINC001486427134 1193942130 /nfs/dbraw/zinc/94/21/30/1193942130.db2.gz JXQGHXXRGQFJLE-CHWSQXEVSA-N 1 2 339.386 2.250 20 30 EEEDLO COCC[N@@H+](CCNC(=O)[C@H](C)C#N)[C@H](C)c1cc(F)ccc1F ZINC001486427134 1193942138 /nfs/dbraw/zinc/94/21/38/1193942138.db2.gz JXQGHXXRGQFJLE-CHWSQXEVSA-N 1 2 339.386 2.250 20 30 EEEDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1C#N ZINC001272990855 1194299023 /nfs/dbraw/zinc/29/90/23/1194299023.db2.gz OBKCSMHHASALDW-MORSLUCNSA-N 1 2 325.412 2.101 20 30 EEEDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1C#N ZINC001272990855 1194299026 /nfs/dbraw/zinc/29/90/26/1194299026.db2.gz OBKCSMHHASALDW-MORSLUCNSA-N 1 2 325.412 2.101 20 30 EEEDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1C#N ZINC001272991388 1194299418 /nfs/dbraw/zinc/29/94/18/1194299418.db2.gz UMGZHRZNNJIWFL-FOIQADDNSA-N 1 2 339.439 2.493 20 30 EEEDLO CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1C#N ZINC001272991388 1194299419 /nfs/dbraw/zinc/29/94/19/1194299419.db2.gz UMGZHRZNNJIWFL-FOIQADDNSA-N 1 2 339.439 2.493 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)C[C@H]3CCCO3)c2C1 ZINC001128599984 1194450705 /nfs/dbraw/zinc/45/07/05/1194450705.db2.gz WHCXBMKCNXMKRP-NVXWUHKLSA-N 1 2 346.475 2.096 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H](C)C[C@H]3CCCO3)c2C1 ZINC001128599984 1194450708 /nfs/dbraw/zinc/45/07/08/1194450708.db2.gz WHCXBMKCNXMKRP-NVXWUHKLSA-N 1 2 346.475 2.096 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001033342490 1194462255 /nfs/dbraw/zinc/46/22/55/1194462255.db2.gz HXMBMMQIMAPLFC-DGAVXFQQSA-N 1 2 327.266 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001033342490 1194462257 /nfs/dbraw/zinc/46/22/57/1194462257.db2.gz HXMBMMQIMAPLFC-DGAVXFQQSA-N 1 2 327.266 2.474 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC001033626793 1194970564 /nfs/dbraw/zinc/97/05/64/1194970564.db2.gz VMTJTBWVVISPRL-SJORKVTESA-N 1 2 334.847 2.413 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC001033626793 1194970565 /nfs/dbraw/zinc/97/05/65/1194970565.db2.gz VMTJTBWVVISPRL-SJORKVTESA-N 1 2 334.847 2.413 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCCO2)CC1 ZINC001005260132 1195002089 /nfs/dbraw/zinc/00/20/89/1195002089.db2.gz DBNQIVKMOFXXCM-AWEZNQCLSA-N 1 2 345.281 2.387 20 30 EEEDLO Cc1nccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001033668764 1195034231 /nfs/dbraw/zinc/03/42/31/1195034231.db2.gz FCTWGDRSVJSKFS-KRWDZBQOSA-N 1 2 335.411 2.003 20 30 EEEDLO Cc1nccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001033668764 1195034236 /nfs/dbraw/zinc/03/42/36/1195034236.db2.gz FCTWGDRSVJSKFS-KRWDZBQOSA-N 1 2 335.411 2.003 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001033690698 1195087416 /nfs/dbraw/zinc/08/74/16/1195087416.db2.gz GFZFRWJMHUYHNG-OAHLLOKOSA-N 1 2 325.416 2.194 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001033690698 1195087419 /nfs/dbraw/zinc/08/74/19/1195087419.db2.gz GFZFRWJMHUYHNG-OAHLLOKOSA-N 1 2 325.416 2.194 20 30 EEEDLO Cc1nc(C[NH+]2CCC(N(C)C(=O)c3c[nH]c(C#N)c3)CC2)cs1 ZINC001005291680 1195104867 /nfs/dbraw/zinc/10/48/67/1195104867.db2.gz XTCAHWLWQCDYAW-UHFFFAOYSA-N 1 2 343.456 2.388 20 30 EEEDLO CCN(C(=O)c1cnccn1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033736176 1195156252 /nfs/dbraw/zinc/15/62/52/1195156252.db2.gz IRZCAZRFAKNBFX-KRWDZBQOSA-N 1 2 335.411 2.085 20 30 EEEDLO CCN(C(=O)c1cnccn1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033736176 1195156253 /nfs/dbraw/zinc/15/62/53/1195156253.db2.gz IRZCAZRFAKNBFX-KRWDZBQOSA-N 1 2 335.411 2.085 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001033795386 1195284934 /nfs/dbraw/zinc/28/49/34/1195284934.db2.gz MDGQVBDLCQLOPS-CQSZACIVSA-N 1 2 343.456 2.388 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001033795386 1195284939 /nfs/dbraw/zinc/28/49/39/1195284939.db2.gz MDGQVBDLCQLOPS-CQSZACIVSA-N 1 2 343.456 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccnc3ccnn32)C1 ZINC001033854766 1195369190 /nfs/dbraw/zinc/36/91/90/1195369190.db2.gz VLINMQSFISKXOR-CYBMUJFWSA-N 1 2 333.823 2.018 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccnc3ccnn32)C1 ZINC001033854766 1195369193 /nfs/dbraw/zinc/36/91/93/1195369193.db2.gz VLINMQSFISKXOR-CYBMUJFWSA-N 1 2 333.823 2.018 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001033875399 1195412028 /nfs/dbraw/zinc/41/20/28/1195412028.db2.gz SIWLURQHEMTDMS-LSDHHAIUSA-N 1 2 336.867 2.121 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001033875399 1195412031 /nfs/dbraw/zinc/41/20/31/1195412031.db2.gz SIWLURQHEMTDMS-LSDHHAIUSA-N 1 2 336.867 2.121 20 30 EEEDLO Cc1csc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001034163383 1195879639 /nfs/dbraw/zinc/87/96/39/1195879639.db2.gz LPHLOWWUZHFQRF-CQSZACIVSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1csc(C[N@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001034163383 1195879643 /nfs/dbraw/zinc/87/96/43/1195879643.db2.gz LPHLOWWUZHFQRF-CQSZACIVSA-N 1 2 343.456 2.436 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](Cc3nccs3)C2)[nH]1 ZINC001034172752 1195897813 /nfs/dbraw/zinc/89/78/13/1195897813.db2.gz OOHCIKISDGOHFC-CYBMUJFWSA-N 1 2 329.429 2.127 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3nccs3)C2)[nH]1 ZINC001034172752 1195897814 /nfs/dbraw/zinc/89/78/14/1195897814.db2.gz OOHCIKISDGOHFC-CYBMUJFWSA-N 1 2 329.429 2.127 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2nocc2C)C1 ZINC001034219873 1195959541 /nfs/dbraw/zinc/95/95/41/1195959541.db2.gz QDJYSVDUCDVNCD-NUJGCVRESA-N 1 2 347.459 2.435 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2nocc2C)C1 ZINC001034219873 1195959544 /nfs/dbraw/zinc/95/95/44/1195959544.db2.gz QDJYSVDUCDVNCD-NUJGCVRESA-N 1 2 347.459 2.435 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@]1(C)C[N@H+](CCOCC(F)F)CCO1 ZINC001108149250 1196637609 /nfs/dbraw/zinc/63/76/09/1196637609.db2.gz SIYPVAOPLZFQFJ-WMLDXEAASA-N 1 2 348.434 2.078 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@]1(C)C[N@@H+](CCOCC(F)F)CCO1 ZINC001108149250 1196637611 /nfs/dbraw/zinc/63/76/11/1196637611.db2.gz SIYPVAOPLZFQFJ-WMLDXEAASA-N 1 2 348.434 2.078 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@](C)(CNc2cc[nH+]c(C)n2)C1 ZINC001090256821 1196664073 /nfs/dbraw/zinc/66/40/73/1196664073.db2.gz VVRZMDIUHGMRIB-QWQRMKEZSA-N 1 2 332.448 2.273 20 30 EEEDLO N#Cc1ccc(C(=O)NCc2ccc(C[NH2+]Cc3ccon3)cc2)[nH]1 ZINC001034813696 1196767169 /nfs/dbraw/zinc/76/71/69/1196767169.db2.gz OMAJGQPQUGOZOP-UHFFFAOYSA-N 1 2 335.367 2.094 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1n1ccnn1 ZINC001129015119 1196768727 /nfs/dbraw/zinc/76/87/27/1196768727.db2.gz YTCAXKCGYCJAHA-RTWZZBQXSA-N 1 2 349.866 2.141 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1n1ccnn1 ZINC001129015119 1196768729 /nfs/dbraw/zinc/76/87/29/1196768729.db2.gz YTCAXKCGYCJAHA-RTWZZBQXSA-N 1 2 349.866 2.141 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(CC)o1 ZINC001034947399 1196907358 /nfs/dbraw/zinc/90/73/58/1196907358.db2.gz PHTDXTJOCNBETC-GFCCVEGCSA-N 1 2 340.855 2.491 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1nc(COC)no1 ZINC001035013787 1196984248 /nfs/dbraw/zinc/98/42/48/1196984248.db2.gz HFIZWWUDWNKAHC-CHWSQXEVSA-N 1 2 336.436 2.070 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccc2cc[nH]c2n1 ZINC001014828731 1224412582 /nfs/dbraw/zinc/41/25/82/1224412582.db2.gz XLHUPIIVVRQJOT-GOSISDBHSA-N 1 2 344.418 2.419 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccc2cc[nH]c2n1 ZINC001014828731 1224412585 /nfs/dbraw/zinc/41/25/85/1224412585.db2.gz XLHUPIIVVRQJOT-GOSISDBHSA-N 1 2 344.418 2.419 20 30 EEEDLO Nc1nc(Cl)c(C=[NH+]NCc2ccccc2)c(N2CCCC2)n1 ZINC000863966424 1197939786 /nfs/dbraw/zinc/93/97/86/1197939786.db2.gz ABFYYBMMPZUFKK-UHFFFAOYSA-N 1 2 330.823 2.436 20 30 EEEDLO C=CCN1CC2(C[NH+](Cc3c(C)n(C)c4ccccc34)C2)OCC1=O ZINC001273310013 1198018742 /nfs/dbraw/zinc/01/87/42/1198018742.db2.gz PDJFQSBBJFCIJU-UHFFFAOYSA-N 1 2 339.439 2.086 20 30 EEEDLO COCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1sccc1Cl ZINC001411212126 1198921244 /nfs/dbraw/zinc/92/12/44/1198921244.db2.gz BCOXCTQWLQFCHG-NSHDSACASA-N 1 2 329.853 2.126 20 30 EEEDLO COCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1sccc1Cl ZINC001411212126 1198921246 /nfs/dbraw/zinc/92/12/46/1198921246.db2.gz BCOXCTQWLQFCHG-NSHDSACASA-N 1 2 329.853 2.126 20 30 EEEDLO COc1cncc(C[N@@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)n1 ZINC001132038552 1199223499 /nfs/dbraw/zinc/22/34/99/1199223499.db2.gz SYHGZDVWQJZGFH-LSDHHAIUSA-N 1 2 344.459 2.004 20 30 EEEDLO COc1cncc(C[N@H+]2C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)n1 ZINC001132038552 1199223504 /nfs/dbraw/zinc/22/35/04/1199223504.db2.gz SYHGZDVWQJZGFH-LSDHHAIUSA-N 1 2 344.459 2.004 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2csc(CC)n2)C1 ZINC001132029454 1199233274 /nfs/dbraw/zinc/23/32/74/1199233274.db2.gz MFYHGVTWQADXBD-GJZGRUSLSA-N 1 2 349.500 2.215 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2csc(CC)n2)C1 ZINC001132029454 1199233276 /nfs/dbraw/zinc/23/32/76/1199233276.db2.gz MFYHGVTWQADXBD-GJZGRUSLSA-N 1 2 349.500 2.215 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cnnn2CC)C1 ZINC001132217912 1199456645 /nfs/dbraw/zinc/45/66/45/1199456645.db2.gz JAKYXMYTESHLGS-LSDHHAIUSA-N 1 2 333.480 2.369 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2cnnn2CC)C1 ZINC001132217912 1199456650 /nfs/dbraw/zinc/45/66/50/1199456650.db2.gz JAKYXMYTESHLGS-LSDHHAIUSA-N 1 2 333.480 2.369 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC2CC2)C1 ZINC001132218709 1199458129 /nfs/dbraw/zinc/45/81/29/1199458129.db2.gz UYFDGAUDQHVMBD-GDBMZVCRSA-N 1 2 335.492 2.084 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC2CC2)C1 ZINC001132218709 1199458133 /nfs/dbraw/zinc/45/81/33/1199458133.db2.gz UYFDGAUDQHVMBD-GDBMZVCRSA-N 1 2 335.492 2.084 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132235625 1199481929 /nfs/dbraw/zinc/48/19/29/1199481929.db2.gz QQZKGFPPBOGHLF-IAGOWNOFSA-N 1 2 349.519 2.311 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132235625 1199481934 /nfs/dbraw/zinc/48/19/34/1199481934.db2.gz QQZKGFPPBOGHLF-IAGOWNOFSA-N 1 2 349.519 2.311 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2ccoc2C2CC2)CC[C@@H]1C ZINC001132238945 1199487626 /nfs/dbraw/zinc/48/76/26/1199487626.db2.gz XIERIFYCMGCJGG-ZFWWWQNUSA-N 1 2 345.443 2.042 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccoc2C2CC2)CC[C@@H]1C ZINC001132238945 1199487630 /nfs/dbraw/zinc/48/76/30/1199487630.db2.gz XIERIFYCMGCJGG-ZFWWWQNUSA-N 1 2 345.443 2.042 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(NC(C)=O)CCCC2)CC[C@H]1C ZINC001132355248 1199598838 /nfs/dbraw/zinc/59/88/38/1199598838.db2.gz WOWGPAKMICFYDR-HIFRSBDPSA-N 1 2 341.883 2.157 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(NC(C)=O)CCCC2)CC[C@H]1C ZINC001132355248 1199598842 /nfs/dbraw/zinc/59/88/42/1199598842.db2.gz WOWGPAKMICFYDR-HIFRSBDPSA-N 1 2 341.883 2.157 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CNC(=O)CC(C)(C)C)CC[C@H]1C ZINC001132499122 1199780491 /nfs/dbraw/zinc/78/04/91/1199780491.db2.gz BYTQDDKUVUTGPZ-ZIAGYGMSSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CNC(=O)CC(C)(C)C)CC[C@H]1C ZINC001132499122 1199780495 /nfs/dbraw/zinc/78/04/95/1199780495.db2.gz BYTQDDKUVUTGPZ-ZIAGYGMSSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCNC(=O)CC(C)C)CC[C@H]1C ZINC001132541847 1199836953 /nfs/dbraw/zinc/83/69/53/1199836953.db2.gz LYBLZGCDVXOMBB-HUUCEWRRSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCNC(=O)CC(C)C)CC[C@H]1C ZINC001132541847 1199836956 /nfs/dbraw/zinc/83/69/56/1199836956.db2.gz LYBLZGCDVXOMBB-HUUCEWRRSA-N 1 2 343.899 2.260 20 30 EEEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000811732150 1200274753 /nfs/dbraw/zinc/27/47/53/1200274753.db2.gz NHOSDZOYSZUAKZ-DLBZAZTESA-N 1 2 327.428 2.364 20 30 EEEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000811732150 1200274759 /nfs/dbraw/zinc/27/47/59/1200274759.db2.gz NHOSDZOYSZUAKZ-DLBZAZTESA-N 1 2 327.428 2.364 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000870133913 1200494221 /nfs/dbraw/zinc/49/42/21/1200494221.db2.gz GIOGJXANTREFRO-UHFFFAOYSA-N 1 2 334.419 2.260 20 30 EEEDLO COc1ccc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1C#N ZINC000880877927 1201598317 /nfs/dbraw/zinc/59/83/17/1201598317.db2.gz AVRYCVFXSZXKEJ-LBPRGKRZSA-N 1 2 325.372 2.322 20 30 EEEDLO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)ccn1 ZINC001015052455 1224688627 /nfs/dbraw/zinc/68/86/27/1224688627.db2.gz LQSUGBQFRWPURY-ZDUSSCGKSA-N 1 2 342.424 2.028 20 30 EEEDLO COc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)ccn1 ZINC001015052455 1224688630 /nfs/dbraw/zinc/68/86/30/1224688630.db2.gz LQSUGBQFRWPURY-ZDUSSCGKSA-N 1 2 342.424 2.028 20 30 EEEDLO CCc1ccc(C[NH+]2CCN(C(=O)C3(C#N)CCOCC3)CC2)cc1 ZINC000881616006 1201726591 /nfs/dbraw/zinc/72/65/91/1201726591.db2.gz LRDNNGVVTUACBD-UHFFFAOYSA-N 1 2 341.455 2.214 20 30 EEEDLO C#CC[C@H](CCOC)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883799009 1202131340 /nfs/dbraw/zinc/13/13/40/1202131340.db2.gz WFPMXFUSTLWPKK-MSOLQXFVSA-N 1 2 340.427 2.352 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(NC(C)=O)cc2)C1 ZINC001015144695 1224812861 /nfs/dbraw/zinc/81/28/61/1224812861.db2.gz NGMNIWCUBUGYMJ-MRXNPFEDSA-N 1 2 335.835 2.131 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(NC(C)=O)cc2)C1 ZINC001015144695 1224812864 /nfs/dbraw/zinc/81/28/64/1224812864.db2.gz NGMNIWCUBUGYMJ-MRXNPFEDSA-N 1 2 335.835 2.131 20 30 EEEDLO COc1ccccc1CN1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001275253145 1205291646 /nfs/dbraw/zinc/29/16/46/1205291646.db2.gz UBPTZZJYVOGKJB-UHFFFAOYSA-N 1 2 336.439 2.223 20 30 EEEDLO CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)n1 ZINC001275605914 1205441539 /nfs/dbraw/zinc/44/15/39/1205441539.db2.gz RAKSYDRSYOIURT-HDICACEKSA-N 1 2 336.443 2.018 20 30 EEEDLO CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)n1 ZINC001275605914 1205441540 /nfs/dbraw/zinc/44/15/40/1205441540.db2.gz RAKSYDRSYOIURT-HDICACEKSA-N 1 2 336.443 2.018 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C3CC3)cnn1C)C2 ZINC001095515276 1205850740 /nfs/dbraw/zinc/85/07/40/1205850740.db2.gz BHBUEPAIHIADRM-SNPRPXQTSA-N 1 2 334.851 2.385 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C3CC3)cnn1C)C2 ZINC001095515276 1205850741 /nfs/dbraw/zinc/85/07/41/1205850741.db2.gz BHBUEPAIHIADRM-SNPRPXQTSA-N 1 2 334.851 2.385 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCOC2(CC[NH+](C/C(Cl)=C\Cl)CC2)C1 ZINC000949054085 1206036233 /nfs/dbraw/zinc/03/62/33/1206036233.db2.gz QZXVOAOCWIIKNF-FMNNIJNLSA-N 1 2 346.258 2.158 20 30 EEEDLO Cc1nc(N2CCC[C@@](C)(CNC(=O)c3ccc(C#N)[nH]3)C2)cc[nH+]1 ZINC001110924668 1206270618 /nfs/dbraw/zinc/27/06/18/1206270618.db2.gz 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N#CCN1CCC[C@@H]1[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000963320762 1217514546 /nfs/dbraw/zinc/51/45/46/1217514546.db2.gz BDCITQISSQKCQK-KBXCAEBGSA-N 1 2 337.427 2.403 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC000963445836 1217635874 /nfs/dbraw/zinc/63/58/74/1217635874.db2.gz QRDDODQZGSDHLQ-CVEARBPZSA-N 1 2 344.459 2.077 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@H]2C)on1 ZINC000964999959 1218793945 /nfs/dbraw/zinc/79/39/45/1218793945.db2.gz MYACXTIDHKDEMI-CRAIPNDOSA-N 1 2 337.423 2.475 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)CC[C@H]2C)on1 ZINC000964999959 1218793947 /nfs/dbraw/zinc/79/39/47/1218793947.db2.gz MYACXTIDHKDEMI-CRAIPNDOSA-N 1 2 337.423 2.475 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]nc3C3CC3)C2)s1 ZINC001015931304 1225846247 /nfs/dbraw/zinc/84/62/47/1225846247.db2.gz HWXWTCOATGQWRG-LBPRGKRZSA-N 1 2 341.440 2.225 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]nc3C3CC3)C2)s1 ZINC001015931304 1225846251 /nfs/dbraw/zinc/84/62/51/1225846251.db2.gz HWXWTCOATGQWRG-LBPRGKRZSA-N 1 2 341.440 2.225 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1C[C@H](Nc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001067126702 1225859754 /nfs/dbraw/zinc/85/97/54/1225859754.db2.gz HWUAYJGQXAMLAY-KSSFIOAISA-N 1 2 334.423 2.268 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000965851888 1219291947 /nfs/dbraw/zinc/29/19/47/1219291947.db2.gz OYTIOWOOTLBCRR-PXAZEXFGSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000965851888 1219291950 /nfs/dbraw/zinc/29/19/50/1219291950.db2.gz OYTIOWOOTLBCRR-PXAZEXFGSA-N 1 2 341.390 2.061 20 30 EEEDLO Cc1csc(C[N@H+]2CC[C@@H](C)[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000965901875 1219340484 /nfs/dbraw/zinc/34/04/84/1219340484.db2.gz YWRSCNFMIJWDKT-ABAIWWIYSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1csc(C[N@@H+]2CC[C@@H](C)[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000965901875 1219340489 /nfs/dbraw/zinc/34/04/89/1219340489.db2.gz YWRSCNFMIJWDKT-ABAIWWIYSA-N 1 2 343.456 2.292 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2ccc(C(F)F)n2)C1 ZINC000966628907 1219903246 /nfs/dbraw/zinc/90/32/46/1219903246.db2.gz ACXQUPQGBBJXIZ-GWCFXTLKSA-N 1 2 346.809 2.400 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2ccc(C(F)F)n2)C1 ZINC000966628907 1219903247 /nfs/dbraw/zinc/90/32/47/1219903247.db2.gz ACXQUPQGBBJXIZ-GWCFXTLKSA-N 1 2 346.809 2.400 20 30 EEEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2scnc2C(F)(F)F)C1 ZINC000966817861 1220041425 /nfs/dbraw/zinc/04/14/25/1220041425.db2.gz XKOIPOVYKOCOKA-VHSXEESVSA-N 1 2 331.363 2.235 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2scnc2C(F)(F)F)C1 ZINC000966817861 1220041430 /nfs/dbraw/zinc/04/14/30/1220041430.db2.gz XKOIPOVYKOCOKA-VHSXEESVSA-N 1 2 331.363 2.235 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000967647596 1220706401 /nfs/dbraw/zinc/70/64/01/1220706401.db2.gz RJUZNZGPBMCQFA-INIZCTEOSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000968369265 1221247037 /nfs/dbraw/zinc/24/70/37/1221247037.db2.gz HSBVJMJLVYGEJE-MEBBXXQBSA-N 1 2 348.834 2.461 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000968369265 1221247040 /nfs/dbraw/zinc/24/70/40/1221247040.db2.gz HSBVJMJLVYGEJE-MEBBXXQBSA-N 1 2 348.834 2.461 20 30 EEEDLO C[C@@H](CCCNc1ccc(C#N)nc1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001114916209 1221346257 /nfs/dbraw/zinc/34/62/57/1221346257.db2.gz CVKGHDRDGFWVFA-ZDUSSCGKSA-N 1 2 326.404 2.006 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnn(CC3CC3)c2)C1 ZINC000968513029 1221367941 /nfs/dbraw/zinc/36/79/41/1221367941.db2.gz ITEDQKVWJHCXBI-MLGOLLRUSA-N 1 2 336.867 2.486 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnn(CC3CC3)c2)C1 ZINC000968513029 1221367944 /nfs/dbraw/zinc/36/79/44/1221367944.db2.gz ITEDQKVWJHCXBI-MLGOLLRUSA-N 1 2 336.867 2.486 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccns3)CC[C@@H]2C)cn1 ZINC000968562938 1221404281 /nfs/dbraw/zinc/40/42/81/1221404281.db2.gz YPMDEEYYLYHYIL-GUYCJALGSA-N 1 2 340.452 2.160 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccns3)CC[C@@H]2C)cn1 ZINC000968562938 1221404286 /nfs/dbraw/zinc/40/42/86/1221404286.db2.gz YPMDEEYYLYHYIL-GUYCJALGSA-N 1 2 340.452 2.160 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC000968656087 1221468404 /nfs/dbraw/zinc/46/84/04/1221468404.db2.gz WRLPEMIYVKQMNC-YOEHRIQHSA-N 1 2 328.460 2.142 20 30 EEEDLO CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC000968656087 1221468406 /nfs/dbraw/zinc/46/84/06/1221468406.db2.gz WRLPEMIYVKQMNC-YOEHRIQHSA-N 1 2 328.460 2.142 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000968717035 1221512463 /nfs/dbraw/zinc/51/24/63/1221512463.db2.gz OPRZTYNTPPQUEG-OAGGEKHMSA-N 1 2 345.443 2.224 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)c3cccnc3)C2)c1 ZINC001006590599 1221850752 /nfs/dbraw/zinc/85/07/52/1221850752.db2.gz OSPLOJAHGBAREG-QGZVFWFLSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)c3cccnc3)C2)c1 ZINC001006590599 1221850756 /nfs/dbraw/zinc/85/07/56/1221850756.db2.gz OSPLOJAHGBAREG-QGZVFWFLSA-N 1 2 338.386 2.487 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)c(C)nn1 ZINC001007410374 1222212539 /nfs/dbraw/zinc/21/25/39/1222212539.db2.gz DEPQFHBKGQPPPK-SFHVURJKSA-N 1 2 349.438 2.360 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)c(C)nn1 ZINC001007410374 1222212543 /nfs/dbraw/zinc/21/25/43/1222212543.db2.gz DEPQFHBKGQPPPK-SFHVURJKSA-N 1 2 349.438 2.360 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1cnn2c1CCC2 ZINC001007467344 1222244043 /nfs/dbraw/zinc/24/40/43/1222244043.db2.gz VYBHDOFHOXNRNO-GOSISDBHSA-N 1 2 348.450 2.075 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1cnn2c1CCC2 ZINC001007467344 1222244047 /nfs/dbraw/zinc/24/40/47/1222244047.db2.gz VYBHDOFHOXNRNO-GOSISDBHSA-N 1 2 348.450 2.075 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2c(C)cc(C)[nH]c2=O)C1 ZINC001008273892 1222728331 /nfs/dbraw/zinc/72/83/31/1222728331.db2.gz BHJILCKQNAIMBX-CQSZACIVSA-N 1 2 337.851 2.280 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2c(C)cc(C)[nH]c2=O)C1 ZINC001008273892 1222728334 /nfs/dbraw/zinc/72/83/34/1222728334.db2.gz BHJILCKQNAIMBX-CQSZACIVSA-N 1 2 337.851 2.280 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)nc(C)n1 ZINC001008861580 1223060199 /nfs/dbraw/zinc/06/01/99/1223060199.db2.gz KVVDPPDNPHUHGR-SFHVURJKSA-N 1 2 349.438 2.360 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)nc(C)n1 ZINC001008861580 1223060202 /nfs/dbraw/zinc/06/02/02/1223060202.db2.gz KVVDPPDNPHUHGR-SFHVURJKSA-N 1 2 349.438 2.360 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncc3ccccc32)C1 ZINC001008889511 1223069346 /nfs/dbraw/zinc/06/93/46/1223069346.db2.gz XPOYYMVZLKKFTI-OAHLLOKOSA-N 1 2 332.835 2.369 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncc3ccccc32)C1 ZINC001008889511 1223069349 /nfs/dbraw/zinc/06/93/49/1223069349.db2.gz XPOYYMVZLKKFTI-OAHLLOKOSA-N 1 2 332.835 2.369 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)c3ccnc(F)c3)C2)c1 ZINC001010358155 1223679540 /nfs/dbraw/zinc/67/95/40/1223679540.db2.gz OYXFLJAVKYSBSG-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)c3ccnc(F)c3)C2)c1 ZINC001010358155 1223679543 /nfs/dbraw/zinc/67/95/43/1223679543.db2.gz OYXFLJAVKYSBSG-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3nc4ccccc4o3)C2)c[nH]1 ZINC001010668083 1223842973 /nfs/dbraw/zinc/84/29/73/1223842973.db2.gz JZKWWDJXPQUTQQ-CYBMUJFWSA-N 1 2 335.367 2.032 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3nc4ccccc4o3)C2)c[nH]1 ZINC001010668083 1223842975 /nfs/dbraw/zinc/84/29/75/1223842975.db2.gz JZKWWDJXPQUTQQ-CYBMUJFWSA-N 1 2 335.367 2.032 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3ccc(F)cn3)C2)ccc1F ZINC001010718016 1223868090 /nfs/dbraw/zinc/86/80/90/1223868090.db2.gz MKUWKQAMKLEYMF-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(F)cn3)C2)ccc1F ZINC001010718016 1223868092 /nfs/dbraw/zinc/86/80/92/1223868092.db2.gz MKUWKQAMKLEYMF-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COc3cc(F)ccc3C2)C1 ZINC001014423999 1226602581 /nfs/dbraw/zinc/60/25/81/1226602581.db2.gz HSJKFXZMMHKOJB-DZGCQCFKSA-N 1 2 338.810 2.320 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COc3cc(F)ccc3C2)C1 ZINC001014423999 1226602584 /nfs/dbraw/zinc/60/25/84/1226602584.db2.gz HSJKFXZMMHKOJB-DZGCQCFKSA-N 1 2 338.810 2.320 20 30 EEEDLO C[C@H](O[NH+]=C(N)Cc1ccccc1)C(=O)NCc1ccccc1F ZINC000114630149 1226813418 /nfs/dbraw/zinc/81/34/18/1226813418.db2.gz AZDJQQUXQWHMHJ-ZDUSSCGKSA-N 1 2 329.375 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)nc(OC)c1)C2 ZINC001095930215 1226831774 /nfs/dbraw/zinc/83/17/74/1226831774.db2.gz FLUPPZQGTYSIFA-ILXRZTDVSA-N 1 2 335.835 2.486 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)nc(OC)c1)C2 ZINC001095930215 1226831775 /nfs/dbraw/zinc/83/17/75/1226831775.db2.gz FLUPPZQGTYSIFA-ILXRZTDVSA-N 1 2 335.835 2.486 20 30 EEEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1Nc1cccc(F)c1C#N ZINC001067083963 1226859917 /nfs/dbraw/zinc/85/99/17/1226859917.db2.gz JEAQTVNXBVKTHH-LRDDRELGSA-N 1 2 341.390 2.312 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H](C[N@H+](C)Cc2nnc(C3CC3)s2)C1 ZINC001017070159 1227090073 /nfs/dbraw/zinc/09/00/73/1227090073.db2.gz CAHUJOLMYUGADA-CHWSQXEVSA-N 1 2 347.488 2.246 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2nnc(C3CC3)s2)C1 ZINC001017070159 1227090076 /nfs/dbraw/zinc/09/00/76/1227090076.db2.gz CAHUJOLMYUGADA-CHWSQXEVSA-N 1 2 347.488 2.246 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(CC)CCC2)C1=O ZINC001017823090 1227768857 /nfs/dbraw/zinc/76/88/57/1227768857.db2.gz QXCHMJQGEKIYIO-BBWFWOEESA-N 1 2 345.487 2.029 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(CC)CCC2)C1=O ZINC001017823090 1227768866 /nfs/dbraw/zinc/76/88/66/1227768866.db2.gz QXCHMJQGEKIYIO-BBWFWOEESA-N 1 2 345.487 2.029 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2csnn2)C1 ZINC001054677903 1248849161 /nfs/dbraw/zinc/84/91/61/1248849161.db2.gz GDMDLMWKSQZHRG-SKDRFNHKSA-N 1 2 328.869 2.253 20 30 EEEDLO CC(C)c1cnc(C[NH2+][C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001018723440 1228340400 /nfs/dbraw/zinc/34/04/00/1228340400.db2.gz KOLSXLDUVJDRNB-ZDUSSCGKSA-N 1 2 327.388 2.002 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC001019549231 1229180808 /nfs/dbraw/zinc/18/08/08/1229180808.db2.gz FAYZKLWKOFBWTC-INIZCTEOSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CCc2c(F)cccc2F)[nH]1 ZINC001038172408 1229676301 /nfs/dbraw/zinc/67/63/01/1229676301.db2.gz HOPJQIXPWNLMSN-ZDUSSCGKSA-N 1 2 344.365 2.211 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CCc2c(F)cccc2F)[nH]1 ZINC001038172408 1229676305 /nfs/dbraw/zinc/67/63/05/1229676305.db2.gz HOPJQIXPWNLMSN-ZDUSSCGKSA-N 1 2 344.365 2.211 20 30 EEEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038265661 1229712883 /nfs/dbraw/zinc/71/28/83/1229712883.db2.gz DXWXSKNNSZLBFD-QYZOEREBSA-N 1 2 341.455 2.310 20 30 EEEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038265661 1229712886 /nfs/dbraw/zinc/71/28/86/1229712886.db2.gz DXWXSKNNSZLBFD-QYZOEREBSA-N 1 2 341.455 2.310 20 30 EEEDLO CCCc1n[nH]cc1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038440342 1229823094 /nfs/dbraw/zinc/82/30/94/1229823094.db2.gz CVHIVDFIJWILTC-MRXNPFEDSA-N 1 2 337.427 2.238 20 30 EEEDLO CCCc1n[nH]cc1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038440342 1229823098 /nfs/dbraw/zinc/82/30/98/1229823098.db2.gz CVHIVDFIJWILTC-MRXNPFEDSA-N 1 2 337.427 2.238 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)c1cccc2c[nH]nc21 ZINC001038577704 1229925100 /nfs/dbraw/zinc/92/51/00/1229925100.db2.gz CRLJIUDHAHBGQH-SFHVURJKSA-N 1 2 344.418 2.419 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)c1cccc2c[nH]nc21 ZINC001038577704 1229925104 /nfs/dbraw/zinc/92/51/04/1229925104.db2.gz CRLJIUDHAHBGQH-SFHVURJKSA-N 1 2 344.418 2.419 20 30 EEEDLO CN(C)c1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)ccn1 ZINC001038768062 1230036140 /nfs/dbraw/zinc/03/61/40/1230036140.db2.gz MSNZSLAPMZIULU-SFHVURJKSA-N 1 2 349.438 2.024 20 30 EEEDLO CN(C)c1cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)ccn1 ZINC001038768062 1230036143 /nfs/dbraw/zinc/03/61/43/1230036143.db2.gz MSNZSLAPMZIULU-SFHVURJKSA-N 1 2 349.438 2.024 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CCF)c1 ZINC001039396586 1230579885 /nfs/dbraw/zinc/57/98/85/1230579885.db2.gz XNELMIGUMJDGOJ-CABCVRRESA-N 1 2 340.830 2.284 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CCF)c1 ZINC001039396586 1230579889 /nfs/dbraw/zinc/57/98/89/1230579889.db2.gz XNELMIGUMJDGOJ-CABCVRRESA-N 1 2 340.830 2.284 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3C[C@@H](F)CC)cn1 ZINC001039979081 1230946705 /nfs/dbraw/zinc/94/67/05/1230946705.db2.gz JTSCVECQFPZONQ-RYQLBKOJSA-N 1 2 329.419 2.490 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C[C@@H](F)CC)cn1 ZINC001039979081 1230946707 /nfs/dbraw/zinc/94/67/07/1230946707.db2.gz JTSCVECQFPZONQ-RYQLBKOJSA-N 1 2 329.419 2.490 20 30 EEEDLO CC(C)c1nnc(C[N@@H+]2CC[C@@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)s1 ZINC001041136665 1231449689 /nfs/dbraw/zinc/44/96/89/1231449689.db2.gz NETLCJSOKSORGQ-SUMWQHHRSA-N 1 2 347.488 2.246 20 30 EEEDLO CC(C)c1nnc(C[N@H+]2CC[C@@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)s1 ZINC001041136665 1231449690 /nfs/dbraw/zinc/44/96/90/1231449690.db2.gz NETLCJSOKSORGQ-SUMWQHHRSA-N 1 2 347.488 2.246 20 30 EEEDLO CCCc1nnc(C[N@@H+]2CC[C@@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)s1 ZINC001041147898 1231453190 /nfs/dbraw/zinc/45/31/90/1231453190.db2.gz VSUQRTCKTWIUNC-SUMWQHHRSA-N 1 2 347.488 2.075 20 30 EEEDLO CCCc1nnc(C[N@H+]2CC[C@@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)s1 ZINC001041147898 1231453191 /nfs/dbraw/zinc/45/31/91/1231453191.db2.gz VSUQRTCKTWIUNC-SUMWQHHRSA-N 1 2 347.488 2.075 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nccn3C)[C@@H]2C1 ZINC001042181873 1231940723 /nfs/dbraw/zinc/94/07/23/1231940723.db2.gz BBWFXHONGRIJSP-HZPDHXFCSA-N 1 2 330.476 2.445 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nccn3C)[C@@H]2C1 ZINC001042181873 1231940725 /nfs/dbraw/zinc/94/07/25/1231940725.db2.gz BBWFXHONGRIJSP-HZPDHXFCSA-N 1 2 330.476 2.445 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3nccn3C)[C@@H]2C1 ZINC001042181874 1231940753 /nfs/dbraw/zinc/94/07/53/1231940753.db2.gz BBWFXHONGRIJSP-JKSUJKDBSA-N 1 2 330.476 2.445 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3nccn3C)[C@@H]2C1 ZINC001042181874 1231940755 /nfs/dbraw/zinc/94/07/55/1231940755.db2.gz BBWFXHONGRIJSP-JKSUJKDBSA-N 1 2 330.476 2.445 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(CC)n3C)[C@@H]2C1 ZINC001042185304 1231943760 /nfs/dbraw/zinc/94/37/60/1231943760.db2.gz RNHLQBKWJJWGBR-HUUCEWRRSA-N 1 2 345.491 2.013 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(CC)n3C)[C@@H]2C1 ZINC001042185304 1231943762 /nfs/dbraw/zinc/94/37/62/1231943762.db2.gz RNHLQBKWJJWGBR-HUUCEWRRSA-N 1 2 345.491 2.013 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4ncnn4CC)[C@H]3C2)C1 ZINC001042224935 1231967064 /nfs/dbraw/zinc/96/70/64/1231967064.db2.gz SVXGCOPCHQEVTG-HOTGVXAUSA-N 1 2 343.475 2.077 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@H+](Cc4ncnn4CC)[C@H]3C2)C1 ZINC001042224935 1231967066 /nfs/dbraw/zinc/96/70/66/1231967066.db2.gz SVXGCOPCHQEVTG-HOTGVXAUSA-N 1 2 343.475 2.077 20 30 EEEDLO COc1cccc([C@@H](C)[NH+]2CC(N(C)C(=O)c3c[nH]c(C#N)c3)C2)c1 ZINC001042630323 1232125571 /nfs/dbraw/zinc/12/55/71/1232125571.db2.gz FGTYDRXFUPQLAF-CYBMUJFWSA-N 1 2 338.411 2.412 20 30 EEEDLO C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ncccc2C#N)C1)n1cc[nH+]c1 ZINC001043542659 1232478470 /nfs/dbraw/zinc/47/84/70/1232478470.db2.gz FYASJENXNPWVIC-IIAWOOMASA-N 1 2 338.415 2.060 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccnc(OC)n2)C1 ZINC001095982437 1233050529 /nfs/dbraw/zinc/05/05/29/1233050529.db2.gz AOTUKVHIUXLRET-PMPSAXMXSA-N 1 2 342.443 2.063 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccnc(OC)n2)C1 ZINC001095982437 1233050533 /nfs/dbraw/zinc/05/05/33/1233050533.db2.gz AOTUKVHIUXLRET-PMPSAXMXSA-N 1 2 342.443 2.063 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2nnc(CC)o2)CC1 ZINC001045181332 1233562536 /nfs/dbraw/zinc/56/25/36/1233562536.db2.gz CPTBASZZKHRVGR-HNNXBMFYSA-N 1 2 332.448 2.459 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H]2CCCO2)CC1 ZINC001045354336 1233690702 /nfs/dbraw/zinc/69/07/02/1233690702.db2.gz VULABAFTUXDILK-GFCCVEGCSA-N 1 2 331.254 2.045 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2cc(C)on2)CC1 ZINC001045441771 1233747636 /nfs/dbraw/zinc/74/76/36/1233747636.db2.gz KXBCWKDTRPQKEN-SJORKVTESA-N 1 2 347.459 2.435 20 30 EEEDLO C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cc(C(F)F)[nH]n1)C2 ZINC001045966650 1234246259 /nfs/dbraw/zinc/24/62/59/1234246259.db2.gz ZVUBKFCMFWNPKG-QGZVFWFLSA-N 1 2 336.386 2.299 20 30 EEEDLO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cc(C(F)F)[nH]n1)C2 ZINC001045966650 1234246262 /nfs/dbraw/zinc/24/62/62/1234246262.db2.gz ZVUBKFCMFWNPKG-QGZVFWFLSA-N 1 2 336.386 2.299 20 30 EEEDLO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cc1Cl ZINC001046056154 1234385962 /nfs/dbraw/zinc/38/59/62/1234385962.db2.gz AMIAUYDGHXQCOX-MRXNPFEDSA-N 1 2 346.862 2.004 20 30 EEEDLO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001046224821 1234571667 /nfs/dbraw/zinc/57/16/67/1234571667.db2.gz VNMKGEARYKRLIZ-KRWDZBQOSA-N 1 2 343.818 2.329 20 30 EEEDLO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001046224821 1234571671 /nfs/dbraw/zinc/57/16/71/1234571671.db2.gz VNMKGEARYKRLIZ-KRWDZBQOSA-N 1 2 343.818 2.329 20 30 EEEDLO Cn1ccc(C(=O)N[C@]2(C)CC[N@H+](Cc3cc(F)ccc3C#N)C2)c1 ZINC001046242213 1234587695 /nfs/dbraw/zinc/58/76/95/1234587695.db2.gz RLNNXCNJFITLCI-LJQANCHMSA-N 1 2 340.402 2.430 20 30 EEEDLO Cn1ccc(C(=O)N[C@]2(C)CC[N@@H+](Cc3cc(F)ccc3C#N)C2)c1 ZINC001046242213 1234587698 /nfs/dbraw/zinc/58/76/98/1234587698.db2.gz RLNNXCNJFITLCI-LJQANCHMSA-N 1 2 340.402 2.430 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(C)on2)C1 ZINC001046320156 1234664846 /nfs/dbraw/zinc/66/48/46/1234664846.db2.gz PLEPRHGBJUHNLL-SOLBZPMBSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2cc(C)on2)C1 ZINC001046320156 1234664849 /nfs/dbraw/zinc/66/48/49/1234664849.db2.gz PLEPRHGBJUHNLL-SOLBZPMBSA-N 1 2 333.432 2.045 20 30 EEEDLO Cc1cc(N(C)C[C@H]2CCCN2C(=O)[C@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001067743173 1249487145 /nfs/dbraw/zinc/48/71/45/1249487145.db2.gz WRBUBDNZQXEKSX-IUODEOHRSA-N 1 2 327.432 2.249 20 30 EEEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000801914417 1236416913 /nfs/dbraw/zinc/41/69/13/1236416913.db2.gz CYWCSSNOISLQQO-LBPRGKRZSA-N 1 2 339.798 2.166 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1)C2 ZINC001047708520 1236434247 /nfs/dbraw/zinc/43/42/47/1236434247.db2.gz PCKCTUVGXGHGKA-BBWFWOEESA-N 1 2 344.459 2.125 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)O[C@@H]2CC[N@@H+](CCF)C2)cc1 ZINC000802238143 1237150240 /nfs/dbraw/zinc/15/02/40/1237150240.db2.gz FXSZHPARCVEVLC-IAGOWNOFSA-N 1 2 331.391 2.114 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)O[C@@H]2CC[N@H+](CCF)C2)cc1 ZINC000802238143 1237150245 /nfs/dbraw/zinc/15/02/45/1237150245.db2.gz FXSZHPARCVEVLC-IAGOWNOFSA-N 1 2 331.391 2.114 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)CCCn1cc[nH+]c1 ZINC001056297870 1239152501 /nfs/dbraw/zinc/15/25/01/1239152501.db2.gz MVWXZUQLOBCELM-DLBZAZTESA-N 1 2 344.459 2.221 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001056301301 1239159797 /nfs/dbraw/zinc/15/97/97/1239159797.db2.gz SAZPVQSERUQCJW-UAGQMJEPSA-N 1 2 344.459 2.146 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001056301301 1239159801 /nfs/dbraw/zinc/15/98/01/1239159801.db2.gz SAZPVQSERUQCJW-UAGQMJEPSA-N 1 2 344.459 2.146 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056527073 1239430588 /nfs/dbraw/zinc/43/05/88/1239430588.db2.gz MXTQXICPEXGTFA-OWCLPIDISA-N 1 2 344.459 2.146 20 30 EEEDLO Cc1nsc(N[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)c1C#N ZINC001056670529 1239610463 /nfs/dbraw/zinc/61/04/63/1239610463.db2.gz FOVMQVFJIDSBQT-LLVKDONJSA-N 1 2 344.444 2.037 20 30 EEEDLO C=C[C@@](C)(O)Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000903297098 1240198385 /nfs/dbraw/zinc/19/83/85/1240198385.db2.gz AWTVKUVRBMAKHY-GOSISDBHSA-N 1 2 329.400 2.048 20 30 EEEDLO Cc1nc(N2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)c(C)c(C)[nH+]1 ZINC001049351347 1240636747 /nfs/dbraw/zinc/63/67/47/1240636747.db2.gz AJBAWWTXTBJLAP-MSOLQXFVSA-N 1 2 338.455 2.100 20 30 EEEDLO Cc1cc(N2CCC3(C[C@@H]3NC(=O)[C@@H](C)C#N)CC2)nc(C2CC2)[nH+]1 ZINC001096513466 1240707870 /nfs/dbraw/zinc/70/78/70/1240707870.db2.gz MEXVYTLLRTYJHE-WFASDCNBSA-N 1 2 339.443 2.297 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1nnc(CC)o1 ZINC001049646000 1241749404 /nfs/dbraw/zinc/74/94/04/1241749404.db2.gz OPGLFOKWQONWFI-KBPBESRZSA-N 1 2 332.448 2.410 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1nnc(CC)o1 ZINC001049646000 1241749418 /nfs/dbraw/zinc/74/94/18/1241749418.db2.gz OPGLFOKWQONWFI-KBPBESRZSA-N 1 2 332.448 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2ocnc2C2CC2)C1 ZINC001073766930 1242708979 /nfs/dbraw/zinc/70/89/79/1242708979.db2.gz SGDKVOMTLRBZPK-CYBMUJFWSA-N 1 2 339.823 2.125 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2ocnc2C2CC2)C1 ZINC001073766930 1242708988 /nfs/dbraw/zinc/70/89/88/1242708988.db2.gz SGDKVOMTLRBZPK-CYBMUJFWSA-N 1 2 339.823 2.125 20 30 EEEDLO CCc1noc([C@@H](C)[N@@H+]2C[C@@H]3CCCN(C(=O)C#CC4CC4)[C@@H]3C2)n1 ZINC001050045402 1242711267 /nfs/dbraw/zinc/71/12/67/1242711267.db2.gz FOGWQIIBYJEUAO-VNQPRFMTSA-N 1 2 342.443 2.029 20 30 EEEDLO CCc1noc([C@@H](C)[N@H+]2C[C@@H]3CCCN(C(=O)C#CC4CC4)[C@@H]3C2)n1 ZINC001050045402 1242711276 /nfs/dbraw/zinc/71/12/76/1242711276.db2.gz FOGWQIIBYJEUAO-VNQPRFMTSA-N 1 2 342.443 2.029 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(C)CC=C(C)CC1)C2 ZINC001111435579 1243110379 /nfs/dbraw/zinc/11/03/79/1243110379.db2.gz UJOWKVYNNCMYPM-PDOICOKGSA-N 1 2 345.487 2.147 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(C)CC=C(C)CC1)C2 ZINC001111435579 1243110381 /nfs/dbraw/zinc/11/03/81/1243110381.db2.gz UJOWKVYNNCMYPM-PDOICOKGSA-N 1 2 345.487 2.147 20 30 EEEDLO N#Cc1c(F)cccc1N[C@@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001096768111 1243296836 /nfs/dbraw/zinc/29/68/36/1243296836.db2.gz GOJPKRCEQXJCBB-KRWDZBQOSA-N 1 2 341.390 2.291 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001057415585 1243681744 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EEEDLO CCCN(CCNC(=O)CCc1c[nH+]c[nH]1)c1snc(C)c1C#N ZINC001101256682 1245581287 /nfs/dbraw/zinc/58/12/87/1245581287.db2.gz KNMPTXATRUOFNS-UHFFFAOYSA-N 1 2 346.460 2.012 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CC)C[C@@]2(C)C1 ZINC001101336416 1245679452 /nfs/dbraw/zinc/67/94/52/1245679452.db2.gz BFHGRUOYSIHKQK-FCEWJHQRSA-N 1 2 345.491 2.181 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CC)C[C@@]2(C)C1 ZINC001101336416 1245679459 /nfs/dbraw/zinc/67/94/59/1245679459.db2.gz BFHGRUOYSIHKQK-FCEWJHQRSA-N 1 2 345.491 2.181 20 30 EEEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C)[nH]4)C[C@@]3(C)C2)CCC1 ZINC001101356329 1245707709 /nfs/dbraw/zinc/70/77/09/1245707709.db2.gz PYBYDTWLJKQBLX-QAPCUYQASA-N 1 2 343.475 2.140 20 30 EEEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C)[nH]4)C[C@@]3(C)C2)CCC1 ZINC001101356329 1245707718 /nfs/dbraw/zinc/70/77/18/1245707718.db2.gz PYBYDTWLJKQBLX-QAPCUYQASA-N 1 2 343.475 2.140 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@](C)(F)CCCC)c1nccn12 ZINC001101632201 1246061416 /nfs/dbraw/zinc/06/14/16/1246061416.db2.gz BYQQBLLWRKFVRO-MAUKXSAKSA-N 1 2 346.450 2.397 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1coc(C(C)(C)C)n1)CCO2 ZINC001053255225 1246099570 /nfs/dbraw/zinc/09/95/70/1246099570.db2.gz GUOAGRMHPWXAQZ-UHFFFAOYSA-N 1 2 333.432 2.075 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(C(C)(C)C)cn1)CCO2 ZINC001053259561 1246106333 /nfs/dbraw/zinc/10/63/33/1246106333.db2.gz CLMNZIPVXAKGBK-UHFFFAOYSA-N 1 2 343.471 2.482 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H](C)c1c(C)n[nH]c1C)CCO2 ZINC001053317112 1246176992 /nfs/dbraw/zinc/17/69/92/1246176992.db2.gz YVEWPHPNAFAPCY-CQSZACIVSA-N 1 2 346.475 2.009 20 30 EEEDLO C=C1CCC(C(=O)N2CCOC3(C[NH+](C[C@@H](CC)OC)C3)C2)CC1 ZINC001053405338 1246291369 /nfs/dbraw/zinc/29/13/69/1246291369.db2.gz MUTJRZDBXXHLCZ-QGZVFWFLSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1cc(C)cc(C)c1)CCO2 ZINC001053405699 1246292576 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ZINC001053638239 1246571413 /nfs/dbraw/zinc/57/14/13/1246571413.db2.gz JDZPSWCJUBAOOP-UONOGXRCSA-N 1 2 328.403 2.348 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C(F)F)o1)O2 ZINC001053693530 1246663126 /nfs/dbraw/zinc/66/31/26/1246663126.db2.gz FNZYVCHQXUZKRA-NSHDSACASA-N 1 2 326.343 2.366 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C)n(C(C)(C)C)n1)O2 ZINC001053698961 1246674627 /nfs/dbraw/zinc/67/46/27/1246674627.db2.gz ZXWOFDDLNKSTRS-HNNXBMFYSA-N 1 2 346.475 2.096 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(C(C)C)n1)CO2 ZINC001053859103 1246921408 /nfs/dbraw/zinc/92/14/08/1246921408.db2.gz ZUBZZALTNQQLGN-HNNXBMFYSA-N 1 2 329.444 2.354 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)cc(Cl)c1)CO2 ZINC001053871649 1246946016 /nfs/dbraw/zinc/94/60/16/1246946016.db2.gz JRQGHTQQVMZASZ-INIZCTEOSA-N 1 2 332.831 2.245 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3cc(F)ccc3o1)CO2 ZINC001053943100 1247044867 /nfs/dbraw/zinc/04/48/67/1247044867.db2.gz YOIUCLOXHICVBS-OAHLLOKOSA-N 1 2 342.370 2.168 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)CO2 ZINC001053953289 1247061333 /nfs/dbraw/zinc/06/13/33/1247061333.db2.gz PABALZLHXSUUGE-GGPKGHCWSA-N 1 2 338.451 2.163 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CCc3ccccc31)CO2 ZINC001053960747 1247070950 /nfs/dbraw/zinc/07/09/50/1247070950.db2.gz HNVIPMFAISGRLE-QZTJIDSGSA-N 1 2 338.451 2.089 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc3cnccc31)CO2 ZINC001054008644 1247140836 /nfs/dbraw/zinc/14/08/36/1247140836.db2.gz CRLFIIKVCSPYAH-MRXNPFEDSA-N 1 2 337.423 2.384 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)n1c(C)ccc1C)CO2 ZINC001054016325 1247152287 /nfs/dbraw/zinc/15/22/87/1247152287.db2.gz ZLOQBBFHSXJWMF-DLBZAZTESA-N 1 2 331.460 2.202 20 30 EEEDLO C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnns1 ZINC001054034520 1247184989 /nfs/dbraw/zinc/18/49/89/1247184989.db2.gz QXHFTVHHZZBEES-OAHLLOKOSA-N 1 2 328.441 2.271 20 30 EEEDLO C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnns1 ZINC001054034520 1247184995 /nfs/dbraw/zinc/18/49/95/1247184995.db2.gz QXHFTVHHZZBEES-OAHLLOKOSA-N 1 2 328.441 2.271 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1csnc1C ZINC001054037927 1247192304 /nfs/dbraw/zinc/19/23/04/1247192304.db2.gz RFPXRAYKYOHHIF-INIZCTEOSA-N 1 2 325.437 2.241 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1csnc1C ZINC001054037927 1247192308 /nfs/dbraw/zinc/19/23/08/1247192308.db2.gz RFPXRAYKYOHHIF-INIZCTEOSA-N 1 2 325.437 2.241 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cnc2ccccn12 ZINC001054044658 1247214181 /nfs/dbraw/zinc/21/41/81/1247214181.db2.gz AIJAIDBWCHANKY-SFHVURJKSA-N 1 2 344.418 2.124 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cnc2ccccn12 ZINC001054044658 1247214185 /nfs/dbraw/zinc/21/41/85/1247214185.db2.gz AIJAIDBWCHANKY-SFHVURJKSA-N 1 2 344.418 2.124 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cnc4[nH]ccc4c3)cc2C1 ZINC001054269213 1247951622 /nfs/dbraw/zinc/95/16/22/1247951622.db2.gz RBJJBERTTYQYSV-UHFFFAOYSA-N 1 2 330.391 2.393 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cnc4[nH]ccc4c3)cc2C1 ZINC001054269213 1247951641 /nfs/dbraw/zinc/95/16/41/1247951641.db2.gz RBJJBERTTYQYSV-UHFFFAOYSA-N 1 2 330.391 2.393 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(N(C)C)nc3)cc2C1 ZINC001054272225 1247964997 /nfs/dbraw/zinc/96/49/97/1247964997.db2.gz JHOCSZSSQVIFBX-UHFFFAOYSA-N 1 2 334.423 2.026 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(N(C)C)nc3)cc2C1 ZINC001054272225 1247965005 /nfs/dbraw/zinc/96/50/05/1247965005.db2.gz JHOCSZSSQVIFBX-UHFFFAOYSA-N 1 2 334.423 2.026 20 30 EEEDLO C[C@H](Nc1ncccc1C#N)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001058019018 1248294316 /nfs/dbraw/zinc/29/43/16/1248294316.db2.gz KKICXMXEIXQJKZ-ZFWWWQNUSA-N 1 2 338.415 2.101 20 30 EEEDLO C[C@H](Nc1ccc(C#N)cn1)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001058026181 1248316799 /nfs/dbraw/zinc/31/67/99/1248316799.db2.gz SSLKKAZZUXJXTD-XJKSGUPXSA-N 1 2 338.415 2.101 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCN(c2cccc(F)c2C#N)C1 ZINC001058182100 1248597064 /nfs/dbraw/zinc/59/70/64/1248597064.db2.gz SGEKQPRYSHSMQK-CYBMUJFWSA-N 1 2 341.390 2.057 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn3ccccc13)C2 ZINC001098055544 1250396864 /nfs/dbraw/zinc/39/68/64/1250396864.db2.gz GOCXQBKWRKWGBJ-XPKDYRNWSA-N 1 2 330.819 2.422 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn3ccccc13)C2 ZINC001098055544 1250396869 /nfs/dbraw/zinc/39/68/69/1250396869.db2.gz GOCXQBKWRKWGBJ-XPKDYRNWSA-N 1 2 330.819 2.422 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001068143172 1250423215 /nfs/dbraw/zinc/42/32/15/1250423215.db2.gz PFJYBROMGWZOCC-INIZCTEOSA-N 1 2 339.443 2.417 20 30 EEEDLO C#CCCCCC(=O)N1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001070637516 1253705017 /nfs/dbraw/zinc/70/50/17/1253705017.db2.gz QZUFHXVYJFDFOK-IAGOWNOFSA-N 1 2 344.459 2.135 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001071293046 1254104240 /nfs/dbraw/zinc/10/42/40/1254104240.db2.gz XWBVFGJSPOBYIK-HUUCEWRRSA-N 1 2 344.459 2.293 20 30 EEEDLO C=C(C)CCC(=O)NC1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001073102742 1255682982 /nfs/dbraw/zinc/68/29/82/1255682982.db2.gz CCWLQAZQDRXTFJ-UHFFFAOYSA-N 1 2 332.448 2.196 20 30 EEEDLO C=C(C)CCC(=O)NC1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001073102742 1255682986 /nfs/dbraw/zinc/68/29/86/1255682986.db2.gz CCWLQAZQDRXTFJ-UHFFFAOYSA-N 1 2 332.448 2.196 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC(C)(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001073206000 1255788501 /nfs/dbraw/zinc/78/85/01/1255788501.db2.gz XYJLNNKOYZUFGD-HNNXBMFYSA-N 1 2 346.475 2.360 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001074099021 1256708516 /nfs/dbraw/zinc/70/85/16/1256708516.db2.gz OPBFTTCDNNGLLH-ZFWWWQNUSA-N 1 2 346.475 2.216 20 30 EEEDLO C=C(C)C[N@@H+]1CCn2c(nnc2C2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)C1 ZINC001074106073 1256718048 /nfs/dbraw/zinc/71/80/48/1256718048.db2.gz PXCBAQFAGCPPNG-HOCLYGCPSA-N 1 2 343.475 2.032 20 30 EEEDLO C=C(C)C[N@H+]1CCn2c(nnc2C2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)C1 ZINC001074106073 1256718054 /nfs/dbraw/zinc/71/80/54/1256718054.db2.gz PXCBAQFAGCPPNG-HOCLYGCPSA-N 1 2 343.475 2.032 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc4cccnc43)C[C@@H]21 ZINC001074289940 1256861883 /nfs/dbraw/zinc/86/18/83/1256861883.db2.gz UNNHZCWRRHCIQO-RBUKOAKNSA-N 1 2 349.434 2.173 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc4cccnc43)C[C@@H]21 ZINC001074289940 1256861895 /nfs/dbraw/zinc/86/18/95/1256861895.db2.gz UNNHZCWRRHCIQO-RBUKOAKNSA-N 1 2 349.434 2.173 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3sc(C)nc3C)C[C@H]21 ZINC001074301580 1256889288 /nfs/dbraw/zinc/88/92/88/1256889288.db2.gz DARQURFNUNVNSU-HZPDHXFCSA-N 1 2 349.500 2.180 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3sc(C)nc3C)C[C@H]21 ZINC001074301580 1256889296 /nfs/dbraw/zinc/88/92/96/1256889296.db2.gz DARQURFNUNVNSU-HZPDHXFCSA-N 1 2 349.500 2.180 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(N(C)C)cc3)C[C@H]21 ZINC001074395050 1256977269 /nfs/dbraw/zinc/97/72/69/1256977269.db2.gz PIKRQHLOJWNQAX-MOPGFXCFSA-N 1 2 343.471 2.244 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(N(C)C)cc3)C[C@H]21 ZINC001074395050 1256977277 /nfs/dbraw/zinc/97/72/77/1256977277.db2.gz PIKRQHLOJWNQAX-MOPGFXCFSA-N 1 2 343.471 2.244 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)COc3ccccc3F)C[C@@H]21 ZINC001074403112 1256989164 /nfs/dbraw/zinc/98/91/64/1256989164.db2.gz QRZSDKHZIIKDOI-FUHWJXTLSA-N 1 2 348.418 2.082 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)COc3ccccc3F)C[C@@H]21 ZINC001074403112 1256989171 /nfs/dbraw/zinc/98/91/71/1256989171.db2.gz QRZSDKHZIIKDOI-FUHWJXTLSA-N 1 2 348.418 2.082 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001075010865 1257257715 /nfs/dbraw/zinc/25/77/15/1257257715.db2.gz OCSJEHJMZCNLRF-ZIAGYGMSSA-N 1 2 332.448 2.050 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001075095734 1257366491 /nfs/dbraw/zinc/36/64/91/1257366491.db2.gz RWOWMIXRKOIPIP-UONOGXRCSA-N 1 2 332.448 2.050 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCc2ccsc2)[C@H](O)C1 ZINC001099886077 1258444641 /nfs/dbraw/zinc/44/46/41/1258444641.db2.gz YQRUOSPFGBZKGN-LSDHHAIUSA-N 1 2 342.892 2.375 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCc2ccsc2)[C@H](O)C1 ZINC001099886077 1258444646 /nfs/dbraw/zinc/44/46/46/1258444646.db2.gz YQRUOSPFGBZKGN-LSDHHAIUSA-N 1 2 342.892 2.375 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(C3CC3)no2)C[C@H]1O ZINC001099946536 1258461377 /nfs/dbraw/zinc/46/13/77/1258461377.db2.gz HUPMJJCOXGGSIP-NVXWUHKLSA-N 1 2 347.459 2.206 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1O ZINC001099946536 1258461383 /nfs/dbraw/zinc/46/13/83/1258461383.db2.gz HUPMJJCOXGGSIP-NVXWUHKLSA-N 1 2 347.459 2.206 20 30 EEEDLO CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1O ZINC001099981709 1258477182 /nfs/dbraw/zinc/47/71/82/1258477182.db2.gz RSRDGXFKNDOHQB-IAGOWNOFSA-N 1 2 347.434 2.185 20 30 EEEDLO CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1O ZINC001099981709 1258477184 /nfs/dbraw/zinc/47/71/84/1258477184.db2.gz RSRDGXFKNDOHQB-IAGOWNOFSA-N 1 2 347.434 2.185 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc(F)cn1 ZINC001491213375 1258789122 /nfs/dbraw/zinc/78/91/22/1258789122.db2.gz IYSWHIXCAMWLSU-OAHLLOKOSA-N 1 2 325.815 2.486 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc(F)cn1 ZINC001491213375 1258789126 /nfs/dbraw/zinc/78/91/26/1258789126.db2.gz IYSWHIXCAMWLSU-OAHLLOKOSA-N 1 2 325.815 2.486 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(COC)no2)C1 ZINC001185950504 1278859596 /nfs/dbraw/zinc/85/95/96/1278859596.db2.gz AVXIGJBVXNVHFY-CHWSQXEVSA-N 1 2 336.436 2.070 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)c2ccon2)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC001071360566 1287260277 /nfs/dbraw/zinc/26/02/77/1287260277.db2.gz DCBIXUBPOXUEEC-WFASDCNBSA-N 1 2 342.374 2.468 20 30 EEEDLO 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C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cc(C#N)ccc1O)CC2 ZINC001232677718 1304213082 /nfs/dbraw/zinc/21/30/82/1304213082.db2.gz OMQXBDAUSKVKSN-UHFFFAOYSA-N 1 2 338.411 2.258 20 30 EEEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cc(C#N)ccc1O)CC2 ZINC001232677718 1304213084 /nfs/dbraw/zinc/21/30/84/1304213084.db2.gz OMQXBDAUSKVKSN-UHFFFAOYSA-N 1 2 338.411 2.258 20 30 EEEDLO COc1ccc(O[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3O)C2)nc1 ZINC001232681546 1304215057 /nfs/dbraw/zinc/21/50/57/1304215057.db2.gz QDSJCYZZOXESAT-MRXNPFEDSA-N 1 2 325.368 2.321 20 30 EEEDLO COc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3O)C2)nc1 ZINC001232681546 1304215059 /nfs/dbraw/zinc/21/50/59/1304215059.db2.gz QDSJCYZZOXESAT-MRXNPFEDSA-N 1 2 325.368 2.321 20 30 EEEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001233045045 1304341302 /nfs/dbraw/zinc/34/13/02/1304341302.db2.gz ROUWAPSXHQRSAE-PKOBYXMFSA-N 1 2 338.411 2.484 20 30 EEEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001233045045 1304341307 /nfs/dbraw/zinc/34/13/07/1304341307.db2.gz ROUWAPSXHQRSAE-PKOBYXMFSA-N 1 2 338.411 2.484 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)CC[C@@H]1CCOC1 ZINC001233578690 1304519022 /nfs/dbraw/zinc/51/90/22/1304519022.db2.gz BLWVVSARPPOJPE-APWZRJJASA-N 1 2 341.455 2.408 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)CC[C@@H]1CCOC1 ZINC001233578690 1304519027 /nfs/dbraw/zinc/51/90/27/1304519027.db2.gz BLWVVSARPPOJPE-APWZRJJASA-N 1 2 341.455 2.408 20 30 EEEDLO C=CCCOCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccnn1C ZINC001234275004 1304836811 /nfs/dbraw/zinc/83/68/11/1304836811.db2.gz AEKSKGCOWXOQCL-GOSISDBHSA-N 1 2 348.491 2.216 20 30 EEEDLO C=CCCOCCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccnn1C ZINC001234275004 1304836816 /nfs/dbraw/zinc/83/68/16/1304836816.db2.gz AEKSKGCOWXOQCL-GOSISDBHSA-N 1 2 348.491 2.216 20 30 EEEDLO CCCCCCO[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001234276252 1304839236 /nfs/dbraw/zinc/83/92/36/1304839236.db2.gz KPCCEGWIIQSTJY-ZWKOTPCHSA-N 1 2 338.492 2.154 20 30 EEEDLO CCCCCCO[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001234276252 1304839243 /nfs/dbraw/zinc/83/92/43/1304839243.db2.gz KPCCEGWIIQSTJY-ZWKOTPCHSA-N 1 2 338.492 2.154 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N1CCC[C@@H](C)C1 ZINC001234536923 1304956908 /nfs/dbraw/zinc/95/69/08/1304956908.db2.gz IVKPLMHNUDVPNX-SJORKVTESA-N 1 2 349.519 2.380 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N1CCC[C@@H](C)C1 ZINC001234536923 1304956914 /nfs/dbraw/zinc/95/69/14/1304956914.db2.gz IVKPLMHNUDVPNX-SJORKVTESA-N 1 2 349.519 2.380 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000798275825 1304968781 /nfs/dbraw/zinc/96/87/81/1304968781.db2.gz VDPRMRDACHLTAC-HZPDHXFCSA-N 1 2 343.427 2.470 20 30 EEEDLO C=C(C)[C@H](CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C)no1)OCC ZINC001234641992 1304997021 /nfs/dbraw/zinc/99/70/21/1304997021.db2.gz GBCJAJVCQFVILK-RDJZCZTQSA-N 1 2 335.448 2.387 20 30 EEEDLO C=C(C)[C@H](CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C)no1)OCC ZINC001234641992 1304997023 /nfs/dbraw/zinc/99/70/23/1304997023.db2.gz GBCJAJVCQFVILK-RDJZCZTQSA-N 1 2 335.448 2.387 20 30 EEEDLO C=C(C)[C@H](CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1conc1C)OCC ZINC001234642818 1304998398 /nfs/dbraw/zinc/99/83/98/1304998398.db2.gz LATJIWGDLLGQPS-SJORKVTESA-N 1 2 335.448 2.387 20 30 EEEDLO C=C(C)[C@H](CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1conc1C)OCC ZINC001234642818 1304998403 /nfs/dbraw/zinc/99/84/03/1304998403.db2.gz LATJIWGDLLGQPS-SJORKVTESA-N 1 2 335.448 2.387 20 30 EEEDLO C=CCCCC(=O)N(C)[C@H](CNc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001115567837 1305382144 /nfs/dbraw/zinc/38/21/44/1305382144.db2.gz AXEMCFJIFPUQHK-OAHLLOKOSA-N 1 2 346.479 2.251 20 30 EEEDLO Cn1c[nH+]cc1CN1CCC2(CCN(c3ccc(C#N)cc3)CC2)C1=O ZINC001278022978 1305710097 /nfs/dbraw/zinc/71/00/97/1305710097.db2.gz GFTZBFVYOIWDFX-UHFFFAOYSA-N 1 2 349.438 2.311 20 30 EEEDLO C#CC[NH+]1CCN(Cc2cc(F)cc(Br)c2OC)CC1 ZINC001238330544 1306335309 /nfs/dbraw/zinc/33/53/09/1306335309.db2.gz ZYANEJBDEWFPDZ-UHFFFAOYSA-N 1 2 341.224 2.348 20 30 EEEDLO C#CC[NH+]1CCN(Cc2c(Cl)cncc2Br)CC1 ZINC001238390571 1306363239 /nfs/dbraw/zinc/36/32/39/1306363239.db2.gz BFEYGQXMPGFEGN-UHFFFAOYSA-N 1 2 328.641 2.248 20 30 EEEDLO CCCCCCCCCNC(=S)N1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001239418016 1309102596 /nfs/dbraw/zinc/10/25/96/1309102596.db2.gz ZPTSIYCEFMZHEG-OAHLLOKOSA-N 1 2 343.537 2.448 20 30 EEEDLO CC(C)C[C@H](C(=O)NC1CC2(CC(NCC#N)C2)C1)n1cc[nH+]c1 ZINC001121271731 1309964445 /nfs/dbraw/zinc/96/44/45/1309964445.db2.gz MRSHFSXPDYOQAL-LMBQMVEXSA-N 1 2 329.448 2.011 20 30 EEEDLO C=C1CCN(c2nnc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)n2CC)CC1 ZINC001121804974 1310137953 /nfs/dbraw/zinc/13/79/53/1310137953.db2.gz YRKMCNSTSCIWKI-HOTGVXAUSA-N 1 2 331.464 2.380 20 30 EEEDLO C=C1CCN(c2nnc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)n2CC)CC1 ZINC001121804974 1310137959 /nfs/dbraw/zinc/13/79/59/1310137959.db2.gz YRKMCNSTSCIWKI-HOTGVXAUSA-N 1 2 331.464 2.380 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(C)C[C@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001124643223 1310928201 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EEEDLO C=CC(C)(C)CC(=O)N1CC(n2cc(C[NH2+]C/C=C/Cl)nn2)C1 ZINC001105249383 769461756 /nfs/dbraw/zinc/46/17/56/769461756.db2.gz SDOOJMQGJFLCSZ-AATRIKPKSA-N 1 2 337.855 2.106 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC(n2cc(C[NH2+]C/C=C\Cl)nn2)C1 ZINC001105249384 769461801 /nfs/dbraw/zinc/46/18/01/769461801.db2.gz SDOOJMQGJFLCSZ-WAYWQWQTSA-N 1 2 337.855 2.106 20 30 EEEDLO CC(C)[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)Nc1ncccc1C#N ZINC001105289314 769586153 /nfs/dbraw/zinc/58/61/53/769586153.db2.gz YJYROOCVZXCRPT-HOCLYGCPSA-N 1 2 340.431 2.354 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ccncc3F)C2)s1 ZINC001031591521 769942771 /nfs/dbraw/zinc/94/27/71/769942771.db2.gz OKMQNVZFBVWHDH-UHFFFAOYSA-N 1 2 330.388 2.016 20 30 EEEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)C3CC(F)(F)C3)C2)ccc1F ZINC001031608698 770199112 /nfs/dbraw/zinc/19/91/12/770199112.db2.gz UOSUOVQSGHKAKZ-UHFFFAOYSA-N 1 2 337.345 2.291 20 30 EEEDLO C[C@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 ZINC000919715644 770215138 /nfs/dbraw/zinc/21/51/38/770215138.db2.gz JMQVYMJILJWDJA-OAHLLOKOSA-N 1 2 335.473 2.245 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ncnn3CCC)C[C@@H]2C)C1 ZINC000942602254 782834524 /nfs/dbraw/zinc/83/45/24/782834524.db2.gz GKSLNYDMSZCGKV-JKSUJKDBSA-N 1 2 345.491 2.371 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3ncnn3CCC)C[C@@H]2C)C1 ZINC000942602254 782834527 /nfs/dbraw/zinc/83/45/27/782834527.db2.gz GKSLNYDMSZCGKV-JKSUJKDBSA-N 1 2 345.491 2.371 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1NC(=O)C#CC1CC1 ZINC001212245920 770460912 /nfs/dbraw/zinc/46/09/12/770460912.db2.gz GFSBEURCKBGJIG-IAGOWNOFSA-N 1 2 332.831 2.069 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1NC(=O)C#CC1CC1 ZINC001212245920 770460916 /nfs/dbraw/zinc/46/09/16/770460916.db2.gz GFSBEURCKBGJIG-IAGOWNOFSA-N 1 2 332.831 2.069 20 30 EEEDLO Cc1csc(C[N@@H+]2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001027813734 770486528 /nfs/dbraw/zinc/48/65/28/770486528.db2.gz ZUBXSTMPLAPFQU-ZDUSSCGKSA-N 1 2 329.429 2.046 20 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/nfs/dbraw/zinc/52/57/13/770525713.db2.gz BKWFUGPZLPMEER-UHFFFAOYSA-N 1 2 344.415 2.324 20 30 EEEDLO C[C@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031638351 770527186 /nfs/dbraw/zinc/52/71/86/770527186.db2.gz WATTZEDKXDSUKM-DYVFJYSZSA-N 1 2 345.418 2.060 20 30 EEEDLO CCCC[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001213192813 770657870 /nfs/dbraw/zinc/65/78/70/770657870.db2.gz XKFGCVAEDFJXGR-KZNAEPCWSA-N 1 2 338.492 2.058 20 30 EEEDLO CCCC[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001213192813 770657881 /nfs/dbraw/zinc/65/78/81/770657881.db2.gz XKFGCVAEDFJXGR-KZNAEPCWSA-N 1 2 338.492 2.058 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccncc2Cl)C1 ZINC001031678278 770902720 /nfs/dbraw/zinc/90/27/20/770902720.db2.gz GOJPGESPOPTAHO-WBVHZDCISA-N 1 2 349.862 2.264 20 30 EEEDLO CCN(CCNc1ccc(C#N)cn1)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001106987846 783049343 /nfs/dbraw/zinc/04/93/43/783049343.db2.gz AMAMNWLUGHVIJW-UHFFFAOYSA-N 1 2 340.431 2.154 20 30 EEEDLO COc1cc(C)cnc1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031736697 774118971 /nfs/dbraw/zinc/11/89/71/774118971.db2.gz JLKRSSHDSHAXBB-UHFFFAOYSA-N 1 2 349.434 2.112 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]cnc1C(F)(F)F ZINC001027931987 774597213 /nfs/dbraw/zinc/59/72/13/774597213.db2.gz PDCYLCJOVDYCFL-SECBINFHSA-N 1 2 336.745 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]cnc1C(F)(F)F ZINC001027931987 774597219 /nfs/dbraw/zinc/59/72/19/774597219.db2.gz PDCYLCJOVDYCFL-SECBINFHSA-N 1 2 336.745 2.375 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3cscn3)[C@@H](C)C2)c1 ZINC000947711200 774616514 /nfs/dbraw/zinc/61/65/14/774616514.db2.gz SYTXTQVSVYOLMW-XJKSGUPXSA-N 1 2 340.452 2.302 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3cscn3)[C@@H](C)C2)c1 ZINC000947711200 774616519 /nfs/dbraw/zinc/61/65/19/774616519.db2.gz SYTXTQVSVYOLMW-XJKSGUPXSA-N 1 2 340.452 2.302 20 30 EEEDLO CO[C@@H]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001031791411 775714923 /nfs/dbraw/zinc/71/49/23/775714923.db2.gz IMVAQYHGCYIPTC-NVXWUHKLSA-N 1 2 345.418 2.060 20 30 EEEDLO CO[C@H]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031794011 775747133 /nfs/dbraw/zinc/74/71/33/775747133.db2.gz QKQQTUFHMBEPNC-WMZOPIPTSA-N 1 2 345.418 2.060 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCCO3)CC2)ccc1F ZINC000980981615 776252927 /nfs/dbraw/zinc/25/29/27/776252927.db2.gz ANCSBGNNGZEISA-SFHVURJKSA-N 1 2 345.418 2.301 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCCO3)CC2)ccc1F ZINC000980981615 776252931 /nfs/dbraw/zinc/25/29/31/776252931.db2.gz ANCSBGNNGZEISA-SFHVURJKSA-N 1 2 345.418 2.301 20 30 EEEDLO C[C@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000981033385 776371448 /nfs/dbraw/zinc/37/14/48/776371448.db2.gz KIAVWKAYAKVMLX-RHSMWYFYSA-N 1 2 347.484 2.469 20 30 EEEDLO C[C@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000981033385 776371456 /nfs/dbraw/zinc/37/14/56/776371456.db2.gz KIAVWKAYAKVMLX-RHSMWYFYSA-N 1 2 347.484 2.469 20 30 EEEDLO CO[C@H](C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1)C1CC1 ZINC000981076216 776484324 /nfs/dbraw/zinc/48/43/24/776484324.db2.gz SUSSNDQLMRKPIE-SFHVURJKSA-N 1 2 345.418 2.157 20 30 EEEDLO CO[C@H](C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1)C1CC1 ZINC000981076216 776484329 /nfs/dbraw/zinc/48/43/29/776484329.db2.gz SUSSNDQLMRKPIE-SFHVURJKSA-N 1 2 345.418 2.157 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)c1-n1cccc1 ZINC001028060027 776908314 /nfs/dbraw/zinc/90/83/14/776908314.db2.gz NFXVZFIUMQYSBQ-CQSZACIVSA-N 1 2 347.850 2.158 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)c1-n1cccc1 ZINC001028060027 776908319 /nfs/dbraw/zinc/90/83/19/776908319.db2.gz NFXVZFIUMQYSBQ-CQSZACIVSA-N 1 2 347.850 2.158 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[N@@H+](Cc2cnc(C)o2)CC1 ZINC000981337510 777197463 /nfs/dbraw/zinc/19/74/63/777197463.db2.gz QFZFJJRMLOTSTB-UHFFFAOYSA-N 1 2 328.416 2.319 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[N@H+](Cc2cnc(C)o2)CC1 ZINC000981337510 777197469 /nfs/dbraw/zinc/19/74/69/777197469.db2.gz QFZFJJRMLOTSTB-UHFFFAOYSA-N 1 2 328.416 2.319 20 30 EEEDLO O=C(c1cnc2n1CCC2)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981361590 777254093 /nfs/dbraw/zinc/25/40/93/777254093.db2.gz UAULKPQWPOMQCK-UHFFFAOYSA-N 1 2 348.450 2.029 20 30 EEEDLO O=C(c1cnc2n1CCC2)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981361590 777254102 /nfs/dbraw/zinc/25/41/02/777254102.db2.gz UAULKPQWPOMQCK-UHFFFAOYSA-N 1 2 348.450 2.029 20 30 EEEDLO CO[C@H]1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000981486889 777501643 /nfs/dbraw/zinc/50/16/43/777501643.db2.gz PCDMHBHQXFRPEP-SJORKVTESA-N 1 2 347.484 2.469 20 30 EEEDLO CO[C@H]1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000981486889 777501649 /nfs/dbraw/zinc/50/16/49/777501649.db2.gz PCDMHBHQXFRPEP-SJORKVTESA-N 1 2 347.484 2.469 20 30 EEEDLO CO[C@H]1CC[C@H](C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)C1 ZINC000981500795 777529211 /nfs/dbraw/zinc/52/92/11/777529211.db2.gz ZLWBPRGIDYLEHR-PMACEKPBSA-N 1 2 340.467 2.388 20 30 EEEDLO CO[C@H]1CC[C@H](C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)C1 ZINC000981500795 777529218 /nfs/dbraw/zinc/52/92/18/777529218.db2.gz ZLWBPRGIDYLEHR-PMACEKPBSA-N 1 2 340.467 2.388 20 30 EEEDLO Cc1nocc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001028113834 777950616 /nfs/dbraw/zinc/95/06/16/777950616.db2.gz UJKBWFFFGSLSFF-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nocc1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001028113834 777950618 /nfs/dbraw/zinc/95/06/18/777950618.db2.gz UJKBWFFFGSLSFF-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091391876 790583839 /nfs/dbraw/zinc/58/38/39/790583839.db2.gz ORLQXOYLHREEDL-MELADBBJSA-N 1 2 342.447 2.272 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001212347189 778103687 /nfs/dbraw/zinc/10/36/87/778103687.db2.gz ZPDZIXVGCMMURN-QZTJIDSGSA-N 1 2 345.418 2.369 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001212347189 778103693 /nfs/dbraw/zinc/10/36/93/778103693.db2.gz ZPDZIXVGCMMURN-QZTJIDSGSA-N 1 2 345.418 2.369 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N(CC)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106923592 778777483 /nfs/dbraw/zinc/77/74/83/778777483.db2.gz BTVSEWIKFZTGDK-LSDHHAIUSA-N 1 2 345.491 2.183 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N(CC)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106923592 778777488 /nfs/dbraw/zinc/77/74/88/778777488.db2.gz BTVSEWIKFZTGDK-LSDHHAIUSA-N 1 2 345.491 2.183 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCC[N@@H+]([C@@H](C)c1nncn1C)C2 ZINC000981987632 778777664 /nfs/dbraw/zinc/77/76/64/778777664.db2.gz GJSASLGDHQNSAE-YJBOKZPZSA-N 1 2 345.491 2.403 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCC[N@H+]([C@@H](C)c1nncn1C)C2 ZINC000981987632 778777671 /nfs/dbraw/zinc/77/76/71/778777671.db2.gz GJSASLGDHQNSAE-YJBOKZPZSA-N 1 2 345.491 2.403 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC000982023517 778907585 /nfs/dbraw/zinc/90/75/85/778907585.db2.gz KEPWYNMXZYVESS-CABCVRRESA-N 1 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COc1c(F)cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)cc1F ZINC001075621066 779649351 /nfs/dbraw/zinc/64/93/51/779649351.db2.gz NHONHUDIRQWFAP-PVXIVEMSSA-N 1 2 349.381 2.166 20 30 EEEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@@H](F)C3)C2)ccc1F ZINC001031926964 779881763 /nfs/dbraw/zinc/88/17/63/779881763.db2.gz DAJJKPSYYXIFLP-GDBMZVCRSA-N 1 2 333.382 2.384 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000941271318 780243203 /nfs/dbraw/zinc/24/32/03/780243203.db2.gz ICKZFKIUKIQPIX-BEFAXECRSA-N 1 2 346.475 2.246 20 30 EEEDLO CC(C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O)=C1CCCC1 ZINC001083400525 781064511 /nfs/dbraw/zinc/06/45/11/781064511.db2.gz SSSJIMQQXJHCFH-MOPGFXCFSA-N 1 2 339.439 2.110 20 30 EEEDLO CC(C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O)=C1CCCC1 ZINC001083400525 781064519 /nfs/dbraw/zinc/06/45/19/781064519.db2.gz SSSJIMQQXJHCFH-MOPGFXCFSA-N 1 2 339.439 2.110 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)CCCN(C)c1[nH+]cnc2c1cnn2C ZINC001112128763 781065356 /nfs/dbraw/zinc/06/53/56/781065356.db2.gz AJFMTPYDFNKION-UHFFFAOYSA-N 1 2 344.463 2.250 20 30 EEEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)F)C1 ZINC001087477305 781361084 /nfs/dbraw/zinc/36/10/84/781361084.db2.gz IAOKSKRUCYNWIR-JSGCOSHPSA-N 1 2 340.345 2.007 20 30 EEEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)F)C1 ZINC001087477305 781361092 /nfs/dbraw/zinc/36/10/92/781361092.db2.gz IAOKSKRUCYNWIR-JSGCOSHPSA-N 1 2 340.345 2.007 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](Cc3cccc(Cl)n3)C[C@H]21 ZINC001075776567 781477913 /nfs/dbraw/zinc/47/79/13/781477913.db2.gz VKDDPDHQQVTHRU-GOEBONIOSA-N 1 2 329.831 2.181 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](Cc3cccc(Cl)n3)C[C@H]21 ZINC001075776567 781477923 /nfs/dbraw/zinc/47/79/23/781477923.db2.gz VKDDPDHQQVTHRU-GOEBONIOSA-N 1 2 329.831 2.181 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001079070089 790908960 /nfs/dbraw/zinc/90/89/60/790908960.db2.gz CKWUUDGQBWUZGH-QFBILLFUSA-N 1 2 346.475 2.325 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)cn1 ZINC001061626727 783353980 /nfs/dbraw/zinc/35/39/80/783353980.db2.gz MCEGPHUHHKXBQY-MRXNPFEDSA-N 1 2 349.438 2.034 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cccn3ccnc23)C1 ZINC001032051715 783366621 /nfs/dbraw/zinc/36/66/21/783366621.db2.gz AFFPMHBGXDPSQZ-UHFFFAOYSA-N 1 2 345.406 2.068 20 30 EEEDLO Cc1nc([C@H](C)[NH2+][C@H]2CCCCCN(C(=O)C#CC3CC3)C2)no1 ZINC001088310813 783463890 /nfs/dbraw/zinc/46/38/90/783463890.db2.gz FOWNJYIEYTVGCV-BBRMVZONSA-N 1 2 330.432 2.213 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccncc2Cl)C1 ZINC001131945802 783507809 /nfs/dbraw/zinc/50/78/09/783507809.db2.gz BCXCGPKTFVQQFJ-HIFRSBDPSA-N 1 2 337.851 2.407 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccncc2Cl)C1 ZINC001131945802 783507817 /nfs/dbraw/zinc/50/78/17/783507817.db2.gz BCXCGPKTFVQQFJ-HIFRSBDPSA-N 1 2 337.851 2.407 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)NC[C@H]1C[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091502788 790992861 /nfs/dbraw/zinc/99/28/61/790992861.db2.gz XJMPZOOXCAMXTK-QHSBEEBCSA-N 1 2 346.479 2.011 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)CC1 ZINC000945504081 784225646 /nfs/dbraw/zinc/22/56/46/784225646.db2.gz YGADAZQTMWUOKB-WMLDXEAASA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001035414051 784490839 /nfs/dbraw/zinc/49/08/39/784490839.db2.gz LXNMIZAHXILVDQ-QGZVFWFLSA-N 1 2 341.411 2.348 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001035414051 784490846 /nfs/dbraw/zinc/49/08/46/784490846.db2.gz LXNMIZAHXILVDQ-QGZVFWFLSA-N 1 2 341.411 2.348 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2scnc2C2CCCC2)C1 ZINC001035436127 784523469 /nfs/dbraw/zinc/52/34/69/784523469.db2.gz VWORBWRLOFPDQT-OAHLLOKOSA-N 1 2 347.484 2.255 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2scnc2C2CCCC2)C1 ZINC001035436127 784523473 /nfs/dbraw/zinc/52/34/73/784523473.db2.gz VWORBWRLOFPDQT-OAHLLOKOSA-N 1 2 347.484 2.255 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001035530113 784683155 /nfs/dbraw/zinc/68/31/55/784683155.db2.gz HZWUVMNYKHQNLH-KRWDZBQOSA-N 1 2 332.444 2.400 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001035530113 784683161 /nfs/dbraw/zinc/68/31/61/784683161.db2.gz HZWUVMNYKHQNLH-KRWDZBQOSA-N 1 2 332.444 2.400 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001035563643 784739464 /nfs/dbraw/zinc/73/94/64/784739464.db2.gz IXMXCGPNGGVHHE-QGZVFWFLSA-N 1 2 327.428 2.185 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001035563643 784739471 /nfs/dbraw/zinc/73/94/71/784739471.db2.gz IXMXCGPNGGVHHE-QGZVFWFLSA-N 1 2 327.428 2.185 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)n(CC3CC3)c2C)C1 ZINC001035578321 784774642 /nfs/dbraw/zinc/77/46/42/784774642.db2.gz WFMHKKIUAFQUDE-KRWDZBQOSA-N 1 2 331.460 2.132 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)n(CC3CC3)c2C)C1 ZINC001035578321 784774650 /nfs/dbraw/zinc/77/46/50/784774650.db2.gz WFMHKKIUAFQUDE-KRWDZBQOSA-N 1 2 331.460 2.132 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc3ccccc3n2)C1 ZINC001035584813 784790450 /nfs/dbraw/zinc/79/04/50/784790450.db2.gz YGEGKSMLCNBWLW-MRXNPFEDSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc3ccccc3n2)C1 ZINC001035584813 784790456 /nfs/dbraw/zinc/79/04/56/784790456.db2.gz YGEGKSMLCNBWLW-MRXNPFEDSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001106041516 791057069 /nfs/dbraw/zinc/05/70/69/791057069.db2.gz AIAOBSKGNLPOBU-CQSZACIVSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC001035606591 784840023 /nfs/dbraw/zinc/84/00/23/784840023.db2.gz NSFOFBMFEGNZIF-INIZCTEOSA-N 1 2 325.412 2.298 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC001035606591 784840028 /nfs/dbraw/zinc/84/00/28/784840028.db2.gz NSFOFBMFEGNZIF-INIZCTEOSA-N 1 2 325.412 2.298 20 30 EEEDLO CC#CC[NH+]1CC2(C1)CCN(C(=O)c1cn[nH]c1-c1ccccn1)CC2 ZINC001035719038 785012252 /nfs/dbraw/zinc/01/22/52/785012252.db2.gz SWBQGZMUVZPIIM-UHFFFAOYSA-N 1 2 349.438 2.033 20 30 EEEDLO C#CC[NH+]1CC2(C1)CCN(C(=O)c1cc(-c3ccccc3)[nH]n1)CC2 ZINC001035745481 785097291 /nfs/dbraw/zinc/09/72/91/785097291.db2.gz KIFPFLIIZALPCX-UHFFFAOYSA-N 1 2 334.423 2.248 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](C)CSC)CC2)C1 ZINC001105698565 785158012 /nfs/dbraw/zinc/15/80/12/785158012.db2.gz MYLRJPDAJLFHCB-CQSZACIVSA-N 1 2 326.506 2.253 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000946002282 785279771 /nfs/dbraw/zinc/27/97/71/785279771.db2.gz RFHBAPPFDNNCOH-LSDHHAIUSA-N 1 2 344.459 2.004 20 30 EEEDLO C#C[C@H](NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)c1ccc(Cl)cc1 ZINC000820552823 785969969 /nfs/dbraw/zinc/96/99/69/785969969.db2.gz MRNOWSGCSOVRSW-ZQIUZPCESA-N 1 2 349.862 2.423 20 30 EEEDLO C#C[C@H](NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)c1ccc(Cl)cc1 ZINC000820552823 785969977 /nfs/dbraw/zinc/96/99/77/785969977.db2.gz MRNOWSGCSOVRSW-ZQIUZPCESA-N 1 2 349.862 2.423 20 30 EEEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)CCC(C)(C)C)nn2)C1 ZINC001107229352 786562955 /nfs/dbraw/zinc/56/29/55/786562955.db2.gz IECVDOZPDIZIHP-HNNXBMFYSA-N 1 2 345.491 2.237 20 30 EEEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](CCC)CC(C)C)nn2)C1 ZINC001107238624 786590672 /nfs/dbraw/zinc/59/06/72/786590672.db2.gz HPFMUMZMJOAWCO-INIZCTEOSA-N 1 2 345.491 2.237 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)cn3)C[C@H]2O)CC1 ZINC001090548321 786831844 /nfs/dbraw/zinc/83/18/44/786831844.db2.gz WYVDJUDAAFAMFP-ZWKOTPCHSA-N 1 2 347.434 2.019 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)cn3)C[C@H]2O)CC1 ZINC001090548321 786831860 /nfs/dbraw/zinc/83/18/60/786831860.db2.gz WYVDJUDAAFAMFP-ZWKOTPCHSA-N 1 2 347.434 2.019 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)cc(F)c2)[C@H](O)C1 ZINC001090587315 787087550 /nfs/dbraw/zinc/08/75/50/787087550.db2.gz WZRFYUNFAQKYTP-HUUCEWRRSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)cc(F)c2)[C@H](O)C1 ZINC001090587315 787087563 /nfs/dbraw/zinc/08/75/63/787087563.db2.gz WZRFYUNFAQKYTP-HUUCEWRRSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)cc2F)[C@@H](O)C1 ZINC001090595296 787175653 /nfs/dbraw/zinc/17/56/53/787175653.db2.gz OJBCIXYQYADSHW-GJZGRUSLSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)cc2F)[C@@H](O)C1 ZINC001090595296 787175654 /nfs/dbraw/zinc/17/56/54/787175654.db2.gz OJBCIXYQYADSHW-GJZGRUSLSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001062286233 787809417 /nfs/dbraw/zinc/80/94/17/787809417.db2.gz UCXUZHKXXOESNK-MRXNPFEDSA-N 1 2 344.459 2.127 20 30 EEEDLO CN(C(=O)CCn1cc[nH+]c1)C1CC(Nc2cccc(F)c2C#N)C1 ZINC001127047509 787813925 /nfs/dbraw/zinc/81/39/25/787813925.db2.gz NNSUBTMOHXELIR-UHFFFAOYSA-N 1 2 341.390 2.385 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3nc(C)ccc3o2)[C@@H](O)C1 ZINC001090737501 787971270 /nfs/dbraw/zinc/97/12/70/787971270.db2.gz PTCPCOYFTRHLLA-OCCSQVGLSA-N 1 2 349.818 2.054 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3nc(C)ccc3o2)[C@@H](O)C1 ZINC001090737501 787971275 /nfs/dbraw/zinc/97/12/75/787971275.db2.gz PTCPCOYFTRHLLA-OCCSQVGLSA-N 1 2 349.818 2.054 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2)[C@H](O)C1 ZINC001090745166 788000437 /nfs/dbraw/zinc/00/04/37/788000437.db2.gz ZLWZYPSSDXXLBN-UONOGXRCSA-N 1 2 329.227 2.258 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2)[C@H](O)C1 ZINC001090745166 788000446 /nfs/dbraw/zinc/00/04/46/788000446.db2.gz ZLWZYPSSDXXLBN-UONOGXRCSA-N 1 2 329.227 2.258 20 30 EEEDLO C[C@]1(CNC(=O)CC2CC2)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107682212 788051686 /nfs/dbraw/zinc/05/16/86/788051686.db2.gz QRJALVCPYBTOQM-IBGZPJMESA-N 1 2 327.428 2.065 20 30 EEEDLO C[C@]1(CNC(=O)CC2CC2)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107682212 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349.504 2.041 20 30 EEEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000824978062 788385820 /nfs/dbraw/zinc/38/58/20/788385820.db2.gz RSWZNOKCHOHEOF-MAUKXSAKSA-N 1 2 348.468 2.378 20 30 EEEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000824978062 788385828 /nfs/dbraw/zinc/38/58/28/788385828.db2.gz RSWZNOKCHOHEOF-MAUKXSAKSA-N 1 2 348.468 2.378 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001077722935 788674931 /nfs/dbraw/zinc/67/49/31/788674931.db2.gz JBPJTRWIKIADPO-LSDHHAIUSA-N 1 2 346.475 2.059 20 30 EEEDLO C[C@@H](C(=O)NC[C@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1)C1CC1 ZINC001107848891 788729963 /nfs/dbraw/zinc/72/99/63/788729963.db2.gz UASYWMPWUMVVFU-FOIQADDNSA-N 1 2 341.455 2.311 20 30 EEEDLO C[C@@H](C(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1)C1CC1 ZINC001107848891 788729968 /nfs/dbraw/zinc/72/99/68/788729968.db2.gz UASYWMPWUMVVFU-FOIQADDNSA-N 1 2 341.455 2.311 20 30 EEEDLO 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/nfs/dbraw/zinc/21/16/67/789211667.db2.gz UBZWZMLAQHPHNB-JKSUJKDBSA-N 1 2 346.475 2.299 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1CNc1ncccc1C#N ZINC001060264240 789216415 /nfs/dbraw/zinc/21/64/15/789216415.db2.gz LUTHCMGOGYOQCT-OAHLLOKOSA-N 1 2 338.415 2.021 20 30 EEEDLO C=CCC1(C(=O)N2CCC(OC3C[NH+](CCOC)C3)CC2)CCC1 ZINC001105724220 789252983 /nfs/dbraw/zinc/25/29/83/789252983.db2.gz SIAZLFIHQFIIRE-UHFFFAOYSA-N 1 2 336.476 2.071 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)CNc3ncccc3C#N)ccn12 ZINC001107943724 789605162 /nfs/dbraw/zinc/60/51/62/789605162.db2.gz WAVDSSQLKJTBGY-GFCCVEGCSA-N 1 2 334.383 2.140 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)CCC(=O)c2c(F)cccc2F)C1 ZINC000923554746 789761273 /nfs/dbraw/zinc/76/12/73/789761273.db2.gz OXCBRUKHBUWOAH-CYBMUJFWSA-N 1 2 334.366 2.142 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCC(=O)c2c(F)cccc2F)C1 ZINC000923554746 789761277 /nfs/dbraw/zinc/76/12/77/789761277.db2.gz OXCBRUKHBUWOAH-CYBMUJFWSA-N 1 2 334.366 2.142 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)C1 ZINC000923559140 789768493 /nfs/dbraw/zinc/76/84/93/789768493.db2.gz GUKHVTNZTDPJGE-LLVKDONJSA-N 1 2 337.326 2.009 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)C1 ZINC000923559140 789768500 /nfs/dbraw/zinc/76/85/00/789768500.db2.gz GUKHVTNZTDPJGE-LLVKDONJSA-N 1 2 337.326 2.009 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc(-c3cccnc3)s2)C1 ZINC000923566130 789788692 /nfs/dbraw/zinc/78/86/92/789788692.db2.gz IXIRYYFFNZQBPP-CQSZACIVSA-N 1 2 326.425 2.033 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(-c3cccnc3)s2)C1 ZINC000923566130 789788697 /nfs/dbraw/zinc/78/86/97/789788697.db2.gz IXIRYYFFNZQBPP-CQSZACIVSA-N 1 2 326.425 2.033 20 30 EEEDLO C=CCC1(C(=O)NC[C@H](O)CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001105864792 789880255 /nfs/dbraw/zinc/88/02/55/789880255.db2.gz FNOOSYIYRUYTIX-OAHLLOKOSA-N 1 2 332.448 2.201 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1O ZINC001091167347 789958415 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CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCCN(CC#N)CC1 ZINC000998048639 791887158 /nfs/dbraw/zinc/88/71/58/791887158.db2.gz WMVDBJJGDSMNMW-HNNXBMFYSA-N 1 2 325.416 2.403 20 30 EEEDLO Cc1nc(NC[C@@H]2[C@@H](C)CCCN2C(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001063936446 791995123 /nfs/dbraw/zinc/99/51/23/791995123.db2.gz AVDPSEKFMVCMSN-BLLLJJGKSA-N 1 2 338.415 2.338 20 30 EEEDLO N#CCOc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cscn2)cc1 ZINC001038094831 792110488 /nfs/dbraw/zinc/11/04/88/792110488.db2.gz HTKAYFOUFWGHMF-AWEZNQCLSA-N 1 2 342.424 2.050 20 30 EEEDLO N#CCOc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cscn2)cc1 ZINC001038094831 792110496 /nfs/dbraw/zinc/11/04/96/792110496.db2.gz HTKAYFOUFWGHMF-AWEZNQCLSA-N 1 2 342.424 2.050 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(CC)o1)C2 ZINC001148104766 792152163 /nfs/dbraw/zinc/15/21/63/792152163.db2.gz ZADVCKRZNAWNNK-UHFFFAOYSA-N 1 2 329.444 2.465 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(CC)o1)C2 ZINC001148104766 792152168 /nfs/dbraw/zinc/15/21/68/792152168.db2.gz ZADVCKRZNAWNNK-UHFFFAOYSA-N 1 2 329.444 2.465 20 30 EEEDLO Cc1nc(N2CC[C@@H]3CN(C(=O)C#CC4CC4)CC[C@@H]32)c(C)c(C)[nH+]1 ZINC001064013184 792241695 /nfs/dbraw/zinc/24/16/95/792241695.db2.gz LGHPRRRCPMDZEE-MSOLQXFVSA-N 1 2 338.455 2.242 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCC1(NC(=O)CCn2cc[nH+]c2)CCC1 ZINC001064109554 792425884 /nfs/dbraw/zinc/42/58/84/792425884.db2.gz MDBLCOPJHNPIJQ-OAHLLOKOSA-N 1 2 332.448 2.031 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1coc(C3CC3)n1)C2 ZINC001148900109 792771347 /nfs/dbraw/zinc/77/13/47/792771347.db2.gz RSAPEEHHMOXIFF-CQSZACIVSA-N 1 2 345.443 2.177 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC001148900109 792771356 /nfs/dbraw/zinc/77/13/56/792771356.db2.gz RSAPEEHHMOXIFF-CQSZACIVSA-N 1 2 345.443 2.177 20 30 EEEDLO C#Cc1ccc(C(=O)NC2C[NH+](Cc3cccc4c3CCOC4)C2)cc1 ZINC001030777387 792782414 /nfs/dbraw/zinc/78/24/14/792782414.db2.gz WJBGALKWILDRIC-UHFFFAOYSA-N 1 2 346.430 2.355 20 30 EEEDLO C=CCCCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCC1 ZINC001064276508 792793543 /nfs/dbraw/zinc/79/35/43/792793543.db2.gz CJUVPKKYLDCYIR-HUUCEWRRSA-N 1 2 344.459 2.035 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001110124322 793297831 /nfs/dbraw/zinc/29/78/31/793297831.db2.gz KFFPJASABRXHBD-GOSISDBHSA-N 1 2 344.459 2.052 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](N(CCO)c2nc(C)[nH+]c(C)c2C)C1 ZINC001091835695 793304298 /nfs/dbraw/zinc/30/42/98/793304298.db2.gz APVLJXAGOKYLJG-KRWDZBQOSA-N 1 2 346.475 2.158 20 30 EEEDLO C=C1CCC(C(=O)N2CCCC[C@H]2C[N@@H+](C)Cc2cnnn2C)CC1 ZINC001089220921 793440490 /nfs/dbraw/zinc/44/04/90/793440490.db2.gz UNKXFOOTRNZUCO-KRWDZBQOSA-N 1 2 345.491 2.374 20 30 EEEDLO C=C1CCC(C(=O)N2CCCC[C@H]2C[N@H+](C)Cc2cnnn2C)CC1 ZINC001089220921 793440492 /nfs/dbraw/zinc/44/04/92/793440492.db2.gz UNKXFOOTRNZUCO-KRWDZBQOSA-N 1 2 345.491 2.374 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3C[N@@H+](Cc4nc(CC)no4)C[C@@]3(C)C2)C1 ZINC001091995591 793474142 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EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnn3cc(C)cnc23)[C@H]1C ZINC000993907508 797149634 /nfs/dbraw/zinc/14/96/34/797149634.db2.gz STMFLXUIODKHTD-HIFRSBDPSA-N 1 2 347.850 2.373 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnn3cc(C)cnc23)[C@H]1C ZINC000993907508 797149637 /nfs/dbraw/zinc/14/96/37/797149637.db2.gz STMFLXUIODKHTD-HIFRSBDPSA-N 1 2 347.850 2.373 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001082131926 797222850 /nfs/dbraw/zinc/22/28/50/797222850.db2.gz FMAMTIRZQGAXHA-WBVHZDCISA-N 1 2 346.475 2.442 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001082131926 797222852 /nfs/dbraw/zinc/22/28/52/797222852.db2.gz FMAMTIRZQGAXHA-WBVHZDCISA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)C2)CCOCC1 ZINC001095054051 797290650 /nfs/dbraw/zinc/29/06/50/797290650.db2.gz SKJFPFREYPLESH-OAHLLOKOSA-N 1 2 330.432 2.171 20 30 EEEDLO C[C@@H]([NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)c1nc(C(C)(C)C)no1 ZINC001082502857 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C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn4c(n3)CC[C@H](C)C4)[C@@H]2C1 ZINC001084449688 798205626 /nfs/dbraw/zinc/20/56/26/798205626.db2.gz JHUPLTNJVGEDFH-JGGQBBKZSA-N 1 2 348.878 2.364 20 30 EEEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)c(C)o1 ZINC001084737244 798413688 /nfs/dbraw/zinc/41/36/88/798413688.db2.gz ALUNZWZOKNAAOE-RTBURBONSA-N 1 2 349.434 2.489 20 30 EEEDLO Cc1nc(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)c(C)o1 ZINC001084737244 798413693 /nfs/dbraw/zinc/41/36/93/798413693.db2.gz ALUNZWZOKNAAOE-RTBURBONSA-N 1 2 349.434 2.489 20 30 EEEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)s2)C[C@H]1O ZINC001099821948 798419657 /nfs/dbraw/zinc/41/96/57/798419657.db2.gz YRSDALZVBMDCOT-UONOGXRCSA-N 1 2 340.876 2.112 20 30 EEEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)s2)C[C@H]1O ZINC001099821948 798419662 /nfs/dbraw/zinc/41/96/62/798419662.db2.gz YRSDALZVBMDCOT-UONOGXRCSA-N 1 2 340.876 2.112 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3c(C)n[nH]c3C)[C@@H]2C1 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/nfs/dbraw/zinc/61/70/66/798617066.db2.gz AQIQEEAEWASUOE-AYBZRNKSSA-N 1 2 345.491 2.323 20 30 EEEDLO C=CCCCCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C)[nH]n3)C[C@@H]21 ZINC001176924475 798629614 /nfs/dbraw/zinc/62/96/14/798629614.db2.gz ORSLZAOZUUVNSL-ROUUACIJSA-N 1 2 346.475 2.380 20 30 EEEDLO C=CCCCCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C)[nH]n3)C[C@@H]21 ZINC001176924475 798629617 /nfs/dbraw/zinc/62/96/17/798629617.db2.gz ORSLZAOZUUVNSL-ROUUACIJSA-N 1 2 346.475 2.380 20 30 EEEDLO N#CCSCC(=O)N1CC[C@H]2OCC[N@H+](CC3=CCCCC3)[C@H]2C1 ZINC001176929314 798631769 /nfs/dbraw/zinc/63/17/69/798631769.db2.gz GGSVDWYHSAFFGX-DLBZAZTESA-N 1 2 349.500 2.045 20 30 EEEDLO N#CCSCC(=O)N1CC[C@H]2OCC[N@@H+](CC3=CCCCC3)[C@H]2C1 ZINC001176929314 798631772 /nfs/dbraw/zinc/63/17/72/798631772.db2.gz GGSVDWYHSAFFGX-DLBZAZTESA-N 1 2 349.500 2.045 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@@H+](CCOCCCC)[C@@H]2C1 ZINC001177024804 798701078 /nfs/dbraw/zinc/70/10/78/798701078.db2.gz KYFCLMMQYVXHJN-QZTJIDSGSA-N 1 2 338.492 2.461 20 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/nfs/dbraw/zinc/35/25/20/799352520.db2.gz OMFCLSGVHOJXAE-KRWDZBQOSA-N 1 2 349.519 2.380 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C3(C)CC3)C2)CC1 ZINC001065706305 799355384 /nfs/dbraw/zinc/35/53/84/799355384.db2.gz IVPFVWUQDPNONU-IAGOWNOFSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)C3(C)CC3)C2)CC1 ZINC001065706307 799356161 /nfs/dbraw/zinc/35/61/61/799356161.db2.gz IVPFVWUQDPNONU-SJORKVTESA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C/C=C(\C)C=C)CC2)C1 ZINC001065693564 799370937 /nfs/dbraw/zinc/37/09/37/799370937.db2.gz DNPKIPCMIPOVDK-SMHZUEHJSA-N 1 2 345.487 2.220 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C(C)=C\C)C2)CC1 ZINC001065698314 799383387 /nfs/dbraw/zinc/38/33/87/799383387.db2.gz GGOVKCULAWYUPA-HFLUPCSWSA-N 1 2 333.476 2.054 20 30 EEEDLO C=C(C)CCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)C=C3CCC3)C2)CC1 ZINC001065699276 799385374 /nfs/dbraw/zinc/38/53/74/799385374.db2.gz LZRVZHASZSFCFL-SFHVURJKSA-N 1 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Cc1nc(N2CCC[C@H](N(C)C(=O)[C@H](C)C#N)CC2)c(C)c(C)[nH+]1 ZINC001112624838 806860339 /nfs/dbraw/zinc/86/03/39/806860339.db2.gz JIFCLYHVGIBDNF-WBMJQRKESA-N 1 2 329.448 2.379 20 30 EEEDLO CCn1ccnc1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085570171 800797305 /nfs/dbraw/zinc/79/73/05/800797305.db2.gz DAHGPUZVKLXVIL-SFHVURJKSA-N 1 2 336.439 2.101 20 30 EEEDLO CCn1ccnc1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085570171 800797310 /nfs/dbraw/zinc/79/73/10/800797310.db2.gz DAHGPUZVKLXVIL-SFHVURJKSA-N 1 2 336.439 2.101 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CC1(F)F ZINC001085586149 800827537 /nfs/dbraw/zinc/82/75/37/800827537.db2.gz OSUKULCBTQLUDK-HOTGVXAUSA-N 1 2 336.357 2.365 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CC1(F)F ZINC001085586149 800827541 /nfs/dbraw/zinc/82/75/41/800827541.db2.gz OSUKULCBTQLUDK-HOTGVXAUSA-N 1 2 336.357 2.365 20 30 EEEDLO Cc1nc(NCC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001066286810 800924200 /nfs/dbraw/zinc/92/42/00/800924200.db2.gz YIOGRRWQFQGGML-DZGCQCFKSA-N 1 2 341.459 2.474 20 30 EEEDLO CCc1n[nH]cc1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085689840 801052748 /nfs/dbraw/zinc/05/27/48/801052748.db2.gz QUURCIKBEVVOFI-LBPRGKRZSA-N 1 2 343.456 2.252 20 30 EEEDLO CCc1n[nH]cc1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085689840 801052753 /nfs/dbraw/zinc/05/27/53/801052753.db2.gz QUURCIKBEVVOFI-LBPRGKRZSA-N 1 2 343.456 2.252 20 30 EEEDLO CC[NH+](CC)[C@H](C(=O)N1CCO[C@H](C#N)C1)c1ccccc1Cl ZINC001182220687 801074999 /nfs/dbraw/zinc/07/49/99/801074999.db2.gz MSCANKUKWJPAIU-CJNGLKHVSA-N 1 2 335.835 2.474 20 30 EEEDLO C[C@@H](CCCCNc1ccc(C#N)nc1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001090076262 801174337 /nfs/dbraw/zinc/17/43/37/801174337.db2.gz LGGFCFNNBJIDAI-AWEZNQCLSA-N 1 2 340.431 2.396 20 30 EEEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2[C@H]2CCN(C(C)C)C2=O)CC1 ZINC001085802428 801306515 /nfs/dbraw/zinc/30/65/15/801306515.db2.gz TZXNOXCLDYIUES-MSOLQXFVSA-N 1 2 347.503 2.275 20 30 EEEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@H]2CCN(C(C)C)C2=O)CC1 ZINC001085802428 801306522 /nfs/dbraw/zinc/30/65/22/801306522.db2.gz TZXNOXCLDYIUES-MSOLQXFVSA-N 1 2 347.503 2.275 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC001182946814 801402947 /nfs/dbraw/zinc/40/29/47/801402947.db2.gz CAHJZTYIGCULNY-CQSZACIVSA-N 1 2 330.388 2.376 20 30 EEEDLO C=C1CC(C)(C(=O)NC2CCC(N(C)C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001004255340 801404648 /nfs/dbraw/zinc/40/46/48/801404648.db2.gz NKLCRDLRTNSPGP-UHFFFAOYSA-N 1 2 344.459 2.194 20 30 EEEDLO Cc1c[nH]nc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033079657 801495886 /nfs/dbraw/zinc/49/58/86/801495886.db2.gz SKHAPLBVHRQKET-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1c[nH]nc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033079657 801495887 /nfs/dbraw/zinc/49/58/87/801495887.db2.gz SKHAPLBVHRQKET-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2cnc(C)s2)cn1 ZINC001085932798 801689958 /nfs/dbraw/zinc/68/99/58/801689958.db2.gz JEOIEZXNJTVZHG-INIZCTEOSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2cnc(C)s2)cn1 ZINC001085932798 801689963 /nfs/dbraw/zinc/68/99/63/801689963.db2.gz JEOIEZXNJTVZHG-INIZCTEOSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2[C@@H](C)c2cnc(C)cn2)nc1 ZINC001085933456 801692124 /nfs/dbraw/zinc/69/21/24/801692124.db2.gz AVHITAFEBMNTAC-DOTOQJQBSA-N 1 2 349.438 2.069 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@@H](C)c2cnc(C)cn2)nc1 ZINC001085933456 801692128 /nfs/dbraw/zinc/69/21/28/801692128.db2.gz AVHITAFEBMNTAC-DOTOQJQBSA-N 1 2 349.438 2.069 20 30 EEEDLO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N1CCc2[nH+]ccn2CC1 ZINC001183886363 801783190 /nfs/dbraw/zinc/78/31/90/801783190.db2.gz GYEOJRAHJUONOF-UHFFFAOYSA-N 1 2 333.395 2.172 20 30 EEEDLO CC[C@@H]1C[C@H]1C(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108227951 801789068 /nfs/dbraw/zinc/78/90/68/801789068.db2.gz JNLSRZWTBGCAPW-GGPKGHCWSA-N 1 2 341.455 2.311 20 30 EEEDLO CC[C@@H]1C[C@H]1C(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108227951 801789073 /nfs/dbraw/zinc/78/90/73/801789073.db2.gz JNLSRZWTBGCAPW-GGPKGHCWSA-N 1 2 341.455 2.311 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001066362095 801930622 /nfs/dbraw/zinc/93/06/22/801930622.db2.gz XXIJECQVMYKFGG-HZPDHXFCSA-N 1 2 346.475 2.360 20 30 EEEDLO CCCC#CC(=O)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001184267672 801955533 /nfs/dbraw/zinc/95/55/33/801955533.db2.gz LDYSJPMXJARCON-UHFFFAOYSA-N 1 2 330.428 2.277 20 30 EEEDLO CCCC#CC(=O)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001184267672 801955536 /nfs/dbraw/zinc/95/55/36/801955536.db2.gz LDYSJPMXJARCON-UHFFFAOYSA-N 1 2 330.428 2.277 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3cccnc32)[C@@H](O)C1 ZINC001090403616 802056445 /nfs/dbraw/zinc/05/64/45/802056445.db2.gz NBFIVYPZXQMUHZ-HOTGVXAUSA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3cccnc32)[C@@H](O)C1 ZINC001090403616 802056450 /nfs/dbraw/zinc/05/64/50/802056450.db2.gz NBFIVYPZXQMUHZ-HOTGVXAUSA-N 1 2 345.830 2.152 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001108075598 802189015 /nfs/dbraw/zinc/18/90/15/802189015.db2.gz ASZKAAKDAOEIKI-AZUAARDMSA-N 1 2 344.430 2.086 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001108075598 802189021 /nfs/dbraw/zinc/18/90/21/802189021.db2.gz ASZKAAKDAOEIKI-AZUAARDMSA-N 1 2 344.430 2.086 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc3ccncc3n2)CC1 ZINC001004491635 802201221 /nfs/dbraw/zinc/20/12/21/802201221.db2.gz WMSVHVHPVDTOBB-IBGZPJMESA-N 1 2 349.438 2.470 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc3ccncc3n2)CC1 ZINC001004491635 802201230 /nfs/dbraw/zinc/20/12/30/802201230.db2.gz WMSVHVHPVDTOBB-IBGZPJMESA-N 1 2 349.438 2.470 20 30 EEEDLO Cc1cncc(CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)c1 ZINC001004500385 802250124 /nfs/dbraw/zinc/25/01/24/802250124.db2.gz WEDXDYRQXWXARH-GOSISDBHSA-N 1 2 326.444 2.159 20 30 EEEDLO Cc1cncc(CC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c1 ZINC001004500385 802250128 /nfs/dbraw/zinc/25/01/28/802250128.db2.gz WEDXDYRQXWXARH-GOSISDBHSA-N 1 2 326.444 2.159 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)Cn2c(CC)nc3cccc(F)c32)CC1 ZINC001185004520 802284487 /nfs/dbraw/zinc/28/44/87/802284487.db2.gz CPGOINGOIBZUCI-UHFFFAOYSA-N 1 2 330.407 2.068 20 30 EEEDLO Cc1cc(CCC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)no1 ZINC001004541560 802333185 /nfs/dbraw/zinc/33/31/85/802333185.db2.gz KBSKANLWBYTDRI-QGZVFWFLSA-N 1 2 330.432 2.142 20 30 EEEDLO Cc1cc(CCC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)no1 ZINC001004541560 802333189 /nfs/dbraw/zinc/33/31/89/802333189.db2.gz KBSKANLWBYTDRI-QGZVFWFLSA-N 1 2 330.432 2.142 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)sc2C)[C@H](O)C1 ZINC001090409587 802657648 /nfs/dbraw/zinc/65/76/48/802657648.db2.gz FFLYLQINZUQGAI-UONOGXRCSA-N 1 2 328.865 2.282 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)sc2C)[C@H](O)C1 ZINC001090409587 802657649 /nfs/dbraw/zinc/65/76/49/802657649.db2.gz FFLYLQINZUQGAI-UONOGXRCSA-N 1 2 328.865 2.282 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001066501998 802799455 /nfs/dbraw/zinc/79/94/55/802799455.db2.gz PKTBPZAIBNERAW-HNNXBMFYSA-N 1 2 344.459 2.196 20 30 EEEDLO N#CCN1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]2C1 ZINC000946702765 802849381 /nfs/dbraw/zinc/84/93/81/802849381.db2.gz VDJNLRHKDYSLNE-HDICACEKSA-N 1 2 349.438 2.180 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001108294134 803233402 /nfs/dbraw/zinc/23/34/02/803233402.db2.gz VXBTXOUVXAGCHH-FXAWDEMLSA-N 1 2 328.456 2.500 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001108294134 803233407 /nfs/dbraw/zinc/23/34/07/803233407.db2.gz VXBTXOUVXAGCHH-FXAWDEMLSA-N 1 2 328.456 2.500 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)CC2=O)C1 ZINC001108575588 804151911 /nfs/dbraw/zinc/15/19/11/804151911.db2.gz DSOKGAABUXMQFG-HUUCEWRRSA-N 1 2 335.492 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C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)c1ccccc1 ZINC001109045747 804860621 /nfs/dbraw/zinc/86/06/21/804860621.db2.gz BWAIFSMUKGAKEY-SQNIBIBYSA-N 1 2 341.455 2.337 20 30 EEEDLO Cc1nc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC2CC2)C3)c(C)s1 ZINC001109257631 805203127 /nfs/dbraw/zinc/20/31/27/805203127.db2.gz FXXYTQQPPHWRFF-VYDXJSESSA-N 1 2 329.469 2.395 20 30 EEEDLO Cc1nc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC2CC2)C3)c(C)s1 ZINC001109257631 805203131 /nfs/dbraw/zinc/20/31/31/805203131.db2.gz FXXYTQQPPHWRFF-VYDXJSESSA-N 1 2 329.469 2.395 20 30 EEEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001109261135 805207408 /nfs/dbraw/zinc/20/74/08/805207408.db2.gz TVQGDWYHQDUDFJ-IKGGRYGDSA-N 1 2 329.419 2.492 20 30 EEEDLO CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001109261135 805207416 /nfs/dbraw/zinc/20/74/16/805207416.db2.gz TVQGDWYHQDUDFJ-IKGGRYGDSA-N 1 2 329.419 2.492 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCCCC(F)(F)F)CC2)[nH]1 ZINC001112769461 807182775 /nfs/dbraw/zinc/18/27/75/807182775.db2.gz IRNPVZFZFFDBHN-UHFFFAOYSA-N 1 2 328.338 2.377 20 30 EEEDLO C=CCC(C)(C)C(=O)NC1CC(CNc2[nH+]cnc3c2cnn3C)C1 ZINC001112871922 807517527 /nfs/dbraw/zinc/51/75/27/807517527.db2.gz SRSBDTUIBVCELA-UHFFFAOYSA-N 1 2 342.447 2.272 20 30 EEEDLO C=CCCCCC[NH+]1CCN(C(=O)c2cccc3nn[nH]c32)CC1 ZINC001112873656 807523776 /nfs/dbraw/zinc/52/37/76/807523776.db2.gz UVNVBAMYIRWHQI-UHFFFAOYSA-N 1 2 327.432 2.462 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)C2(Cc3ccccc3)CC2)CC1 ZINC001112972604 807736712 /nfs/dbraw/zinc/73/67/12/807736712.db2.gz MZFIHUSEXOJJHJ-UHFFFAOYSA-N 1 2 328.456 2.356 20 30 EEEDLO Cc1nc(N[C@@H](C)[C@@H](C)NC(=O)CCCn2cc[nH+]c2)ccc1C#N ZINC001113078187 808060850 /nfs/dbraw/zinc/06/08/50/808060850.db2.gz YEFWBDKCOHOMCJ-UONOGXRCSA-N 1 2 340.431 2.244 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccccc1SCC#N ZINC000790138493 808427488 /nfs/dbraw/zinc/42/74/88/808427488.db2.gz ZAXXGZYFOXLSAM-CQSZACIVSA-N 1 2 333.457 2.095 20 30 EEEDLO Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)c(C#N)cn1 ZINC001113349695 808760679 /nfs/dbraw/zinc/76/06/79/808760679.db2.gz HVSGIRVELRWMPH-QWHCGFSZSA-N 1 2 348.410 2.179 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001113417405 808949764 /nfs/dbraw/zinc/94/97/64/808949764.db2.gz FIOUGDLQZAQBKB-ROUUACIJSA-N 1 2 338.492 2.175 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(F)(F)F ZINC001113979286 810148078 /nfs/dbraw/zinc/14/80/78/810148078.db2.gz IDGXPCOAZVBLFM-NHAGDIPZSA-N 1 2 341.308 2.196 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(F)(F)F ZINC001113979286 810148082 /nfs/dbraw/zinc/14/80/82/810148082.db2.gz IDGXPCOAZVBLFM-NHAGDIPZSA-N 1 2 341.308 2.196 20 30 EEEDLO Cc1nc(N2CC[C@H](C)[C@H](NC(=O)C#CC3CC3)C2)c(C)c(C)[nH+]1 ZINC001114021877 810199719 /nfs/dbraw/zinc/19/97/19/810199719.db2.gz PBUUVHQZRMZYKK-YVEFUNNKSA-N 1 2 326.444 2.146 20 30 EEEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)CCc2c[nH]c[nH+]2)ccc1OC ZINC000793502839 810390807 /nfs/dbraw/zinc/39/08/07/810390807.db2.gz WPSHEICWIMGNHC-HNNXBMFYSA-N 1 2 342.399 2.348 20 30 EEEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)CCc2c[nH+]c[nH]2)ccc1OC ZINC000793502839 810390813 /nfs/dbraw/zinc/39/08/13/810390813.db2.gz WPSHEICWIMGNHC-HNNXBMFYSA-N 1 2 342.399 2.348 20 30 EEEDLO C#CCOCCC(=O)NC1(CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001114171337 810505418 /nfs/dbraw/zinc/50/54/18/810505418.db2.gz VGMYKLHGJRAJRH-UHFFFAOYSA-N 1 2 330.432 2.056 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2c2ccccc2)cn1 ZINC001086620450 810651554 /nfs/dbraw/zinc/65/15/54/810651554.db2.gz RIDIDIHOKCMXMF-RBUKOAKNSA-N 1 2 337.398 2.230 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2c2ccccc2)cn1 ZINC001086620450 810651562 /nfs/dbraw/zinc/65/15/62/810651562.db2.gz RIDIDIHOKCMXMF-RBUKOAKNSA-N 1 2 337.398 2.230 20 30 EEEDLO C=CCn1cccc1C(=O)NCC[NH2+][C@H](C)c1nc(CCCC)no1 ZINC001129517172 810887857 /nfs/dbraw/zinc/88/78/57/810887857.db2.gz HUEGQBKFTMSTEB-CQSZACIVSA-N 1 2 345.447 2.480 20 30 EEEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCCC[C@H](C)CC)CC1 ZINC001131361727 812736469 /nfs/dbraw/zinc/73/64/69/812736469.db2.gz ATDFXSWKGSFQGD-QGZVFWFLSA-N 1 2 337.508 2.429 20 30 EEEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCCC[C@H](C)CC)CC1 ZINC001131361727 812736474 /nfs/dbraw/zinc/73/64/74/812736474.db2.gz ATDFXSWKGSFQGD-QGZVFWFLSA-N 1 2 337.508 2.429 20 30 EEEDLO C=C(Cl)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C2(CCC)CC2)n1 ZINC001440410203 1093603218 /nfs/dbraw/zinc/60/32/18/1093603218.db2.gz GBXLSNULHNPWTF-UHFFFAOYSA-N 1 2 338.839 2.221 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCc2ccc(=O)[nH]c2)[C@H]1C ZINC001441886171 1096017797 /nfs/dbraw/zinc/01/77/97/1096017797.db2.gz BGSXSBHGWMRGSM-UKRRQHHQSA-N 1 2 337.851 2.441 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCc2ccc(=O)[nH]c2)[C@H]1C ZINC001441886171 1096017809 /nfs/dbraw/zinc/01/78/09/1096017809.db2.gz BGSXSBHGWMRGSM-UKRRQHHQSA-N 1 2 337.851 2.441 20 30 EEEDLO COCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1ccc(F)cc1Cl ZINC001442173411 1096438696 /nfs/dbraw/zinc/43/86/96/1096438696.db2.gz NRYQIDKDNGEAJM-GFCCVEGCSA-N 1 2 341.814 2.203 20 30 EEEDLO COCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1ccc(F)cc1Cl ZINC001442173411 1096438699 /nfs/dbraw/zinc/43/86/99/1096438699.db2.gz NRYQIDKDNGEAJM-GFCCVEGCSA-N 1 2 341.814 2.203 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1csc([C@@H]2CCCO2)n1 ZINC001442401757 1096722615 /nfs/dbraw/zinc/72/26/15/1096722615.db2.gz NMXWOPFJGFQSGD-LBPRGKRZSA-N 1 2 329.853 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1csc([C@@H]2CCCO2)n1 ZINC001442401757 1096722620 /nfs/dbraw/zinc/72/26/20/1096722620.db2.gz NMXWOPFJGFQSGD-LBPRGKRZSA-N 1 2 329.853 2.409 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)c1cc(C(F)F)[nH]n1 ZINC001445032909 1100204254 /nfs/dbraw/zinc/20/42/54/1100204254.db2.gz MCRVREJPEJCVAF-UHFFFAOYSA-N 1 2 347.369 2.423 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)c1cc(C(F)F)[nH]n1 ZINC001445032909 1100204259 /nfs/dbraw/zinc/20/42/59/1100204259.db2.gz MCRVREJPEJCVAF-UHFFFAOYSA-N 1 2 347.369 2.423 20 30 EEEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)[C@H](C)C(F)(F)F)CC1 ZINC001494102165 1103519564 /nfs/dbraw/zinc/51/95/64/1103519564.db2.gz JZGCFFAVENISJG-LBPRGKRZSA-N 1 2 341.805 2.013 20 30 EEEDLO CCOCCCC(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001494743926 1104326755 /nfs/dbraw/zinc/32/67/55/1104326755.db2.gz LZLZIMDWRBABIS-MRXNPFEDSA-N 1 2 333.407 2.205 20 30 EEEDLO CCOCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001494743926 1104326767 /nfs/dbraw/zinc/32/67/67/1104326767.db2.gz LZLZIMDWRBABIS-MRXNPFEDSA-N 1 2 333.407 2.205 20 30 EEEDLO CCC[N@H+](CCNC(=O)c1cc(C#N)c[nH]1)[C@H](C)c1nc(CC)no1 ZINC001493282628 1107846544 /nfs/dbraw/zinc/84/65/44/1107846544.db2.gz JIZQDRDYWWIEDE-GFCCVEGCSA-N 1 2 344.419 2.035 20 30 EEEDLO CCC[N@@H+](CCNC(=O)c1cc(C#N)c[nH]1)[C@H](C)c1nc(CC)no1 ZINC001493282628 1107846556 /nfs/dbraw/zinc/84/65/56/1107846556.db2.gz JIZQDRDYWWIEDE-GFCCVEGCSA-N 1 2 344.419 2.035 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)CC1(O)CCC1 ZINC001505428854 1113962990 /nfs/dbraw/zinc/96/29/90/1113962990.db2.gz IBJMCGSXKRBWRJ-CYBMUJFWSA-N 1 2 345.281 2.123 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)CC1(O)CCC1 ZINC001505428854 1113962994 /nfs/dbraw/zinc/96/29/94/1113962994.db2.gz IBJMCGSXKRBWRJ-CYBMUJFWSA-N 1 2 345.281 2.123 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@H](C)[C@H]1CC ZINC001520360126 1119149804 /nfs/dbraw/zinc/14/98/04/1119149804.db2.gz BGNWLAZQIBZHKV-DOTOQJQBSA-N 1 2 347.507 2.293 20 30 EEEDLO O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)NC[C@@H]1COc2ccccc2O1 ZINC000328764305 539760620 /nfs/dbraw/zinc/76/06/20/539760620.db2.gz OQWZJFPAJKDSGA-OWCLPIDISA-N 1 2 346.427 2.426 20 30 EEEDLO O=C(C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)NC[C@@H]1COc2ccccc2O1 ZINC000328764305 539760625 /nfs/dbraw/zinc/76/06/25/539760625.db2.gz OQWZJFPAJKDSGA-OWCLPIDISA-N 1 2 346.427 2.426 20 30 EEEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CCC(=O)N1C ZINC000329288363 539770578 /nfs/dbraw/zinc/77/05/78/539770578.db2.gz POICTDBHJWBXEZ-MRXNPFEDSA-N 1 2 331.416 2.036 20 30 EEEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCOCC1 ZINC000109138406 237129994 /nfs/dbraw/zinc/12/99/94/237129994.db2.gz JLZKDGQIQJSRKM-UHFFFAOYSA-N 1 2 347.846 2.305 20 30 EEEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000266741206 201219602 /nfs/dbraw/zinc/21/96/02/201219602.db2.gz QJSJEGNTFDNWFB-QGZVFWFLSA-N 1 2 338.455 2.367 20 30 EEEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000266741206 201219606 /nfs/dbraw/zinc/21/96/06/201219606.db2.gz QJSJEGNTFDNWFB-QGZVFWFLSA-N 1 2 338.455 2.367 20 30 EEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000266943366 201221449 /nfs/dbraw/zinc/22/14/49/201221449.db2.gz RSYNWCPYVDTBBZ-UHFFFAOYSA-N 1 2 327.428 2.253 20 30 EEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000266943366 201221451 /nfs/dbraw/zinc/22/14/51/201221451.db2.gz RSYNWCPYVDTBBZ-UHFFFAOYSA-N 1 2 327.428 2.253 20 30 EEEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000272316711 201251040 /nfs/dbraw/zinc/25/10/40/201251040.db2.gz ZOPTUVAOQFAIAR-GDBMZVCRSA-N 1 2 343.475 2.170 20 30 EEEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000272316711 201251043 /nfs/dbraw/zinc/25/10/43/201251043.db2.gz ZOPTUVAOQFAIAR-GDBMZVCRSA-N 1 2 343.475 2.170 20 30 EEEDLO N#Cc1cccc(OCC[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)c1 ZINC000451798837 243267453 /nfs/dbraw/zinc/26/74/53/243267453.db2.gz UZUGFURDCYLSNY-HNNXBMFYSA-N 1 2 337.370 2.173 20 30 EEEDLO N#Cc1cccc(OCC[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)c1 ZINC000451798837 243267459 /nfs/dbraw/zinc/26/74/59/243267459.db2.gz UZUGFURDCYLSNY-HNNXBMFYSA-N 1 2 337.370 2.173 20 30 EEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452049710 243334374 /nfs/dbraw/zinc/33/43/74/243334374.db2.gz IVFNGQAGCRUAAU-LSDHHAIUSA-N 1 2 337.427 2.199 20 30 EEEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452049710 243334378 /nfs/dbraw/zinc/33/43/78/243334378.db2.gz IVFNGQAGCRUAAU-LSDHHAIUSA-N 1 2 337.427 2.199 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000125256566 205001131 /nfs/dbraw/zinc/00/11/31/205001131.db2.gz AMSQYCWSBGQYGU-INIZCTEOSA-N 1 2 349.438 2.098 20 30 EEEDLO C#CCN(C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1)C1CC1 ZINC000491440937 246031789 /nfs/dbraw/zinc/03/17/89/246031789.db2.gz RZKPCBDTFOPIJY-MRXNPFEDSA-N 1 2 326.375 2.456 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H](O)c2ccc(F)cc2C)n1 ZINC000491783831 246148748 /nfs/dbraw/zinc/14/87/48/246148748.db2.gz KEWPOYHEWLYJGW-IBGZPJMESA-N 1 2 345.418 2.146 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H](O)c2ccc(F)cc2C)n1 ZINC000491783831 246148752 /nfs/dbraw/zinc/14/87/52/246148752.db2.gz KEWPOYHEWLYJGW-IBGZPJMESA-N 1 2 345.418 2.146 20 30 EEEDLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)c1cc(C#N)c[nH]1 ZINC000175422752 207125195 /nfs/dbraw/zinc/12/51/95/207125195.db2.gz JQVSCJCZFILVGV-UHFFFAOYSA-N 1 2 332.448 2.241 20 30 EEEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2sccc2C#N)cc1O ZINC000177220757 207307717 /nfs/dbraw/zinc/30/77/17/207307717.db2.gz RGEOHHVMKGGVLS-UHFFFAOYSA-N 1 2 331.397 2.404 20 30 EEEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2sccc2C#N)cc1O ZINC000177220757 207307720 /nfs/dbraw/zinc/30/77/20/207307720.db2.gz RGEOHHVMKGGVLS-UHFFFAOYSA-N 1 2 331.397 2.404 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=C)C)CC1 ZINC000491617979 533159181 /nfs/dbraw/zinc/15/91/81/533159181.db2.gz AHNJWSDLRDTOMB-UHFFFAOYSA-N 1 2 346.438 2.148 20 30 EEEDLO C#C[C@@H](NC(=O)[C@H](c1c[nH+]cn1C)N(C)C)c1ccc(Cl)cc1 ZINC000491804182 533260534 /nfs/dbraw/zinc/26/05/34/533260534.db2.gz LDYGBMXPCUARTH-ZBFHGGJFSA-N 1 2 330.819 2.167 20 30 EEEDLO C#C[C@H]1COCCN1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000491700899 533337470 /nfs/dbraw/zinc/33/74/70/533337470.db2.gz TXRUOZIPHULERW-KRWDZBQOSA-N 1 2 342.443 2.006 20 30 EEEDLO Cc1ccccc1N1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115531872 152028986 /nfs/dbraw/zinc/02/89/86/152028986.db2.gz ZZQPBVNHDIDJSP-IBGZPJMESA-N 1 2 334.423 2.215 20 30 EEEDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000125944675 292303043 /nfs/dbraw/zinc/30/30/43/292303043.db2.gz QQPIQLHUAJRIRE-UHFFFAOYSA-N 1 2 332.341 2.077 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247690292 160331301 /nfs/dbraw/zinc/33/13/01/160331301.db2.gz SOBFRVHSZKKOER-BBRMVZONSA-N 1 2 344.440 2.335 20 30 EEEDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1cccnc1 ZINC000343711165 161161055 /nfs/dbraw/zinc/16/10/55/161161055.db2.gz FBNHLTLKBAHPAH-UHFFFAOYSA-N 1 2 344.440 2.033 20 30 EEEDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1cccnc1 ZINC000343711165 161161056 /nfs/dbraw/zinc/16/10/56/161161056.db2.gz FBNHLTLKBAHPAH-UHFFFAOYSA-N 1 2 344.440 2.033 20 30 EEEDLO C[N@H+](CCOCc1ccc(C#N)cc1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000344107193 161198733 /nfs/dbraw/zinc/19/87/33/161198733.db2.gz IXQPPNNXYNWTCF-SFHVURJKSA-N 1 2 341.386 2.372 20 30 EEEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000344107193 161198734 /nfs/dbraw/zinc/19/87/34/161198734.db2.gz IXQPPNNXYNWTCF-SFHVURJKSA-N 1 2 341.386 2.372 20 30 EEEDLO Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000374113828 167020291 /nfs/dbraw/zinc/02/02/91/167020291.db2.gz HWMVOGBOGVWVSJ-FQEVSTJZSA-N 1 2 349.434 2.498 20 30 EEEDLO Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000374113828 167020292 /nfs/dbraw/zinc/02/02/92/167020292.db2.gz HWMVOGBOGVWVSJ-FQEVSTJZSA-N 1 2 349.434 2.498 20 30 EEEDLO C=C(C)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000123770896 222329982 /nfs/dbraw/zinc/32/99/82/222329982.db2.gz QVVOLMSUWJTDSU-UHFFFAOYSA-N 1 2 344.864 2.231 20 30 EEEDLO COC[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccco1 ZINC000411513128 269752093 /nfs/dbraw/zinc/75/20/93/269752093.db2.gz OCPYSQFRDQOODA-HOTGVXAUSA-N 1 2 325.368 2.234 20 30 EEEDLO CCCCCOCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000299377333 270018638 /nfs/dbraw/zinc/01/86/38/270018638.db2.gz LDUFBMUSRSHMFU-UHFFFAOYSA-N 1 2 329.444 2.409 20 30 EEEDLO CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H](C)CS(C)(=O)=O ZINC000437136604 267069282 /nfs/dbraw/zinc/06/92/82/267069282.db2.gz KPWWEBHPLANFFW-NSHDSACASA-N 1 2 346.399 2.415 20 30 EEEDLO CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H](C)CS(C)(=O)=O ZINC000437136604 267069285 /nfs/dbraw/zinc/06/92/85/267069285.db2.gz KPWWEBHPLANFFW-NSHDSACASA-N 1 2 346.399 2.415 20 30 EEEDLO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000332028828 267211188 /nfs/dbraw/zinc/21/11/88/267211188.db2.gz HGDZVQHBRWPRIL-WMZOPIPTSA-N 1 2 340.471 2.375 20 30 EEEDLO C[C@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000288340304 267216970 /nfs/dbraw/zinc/21/69/70/267216970.db2.gz MDVJHQLDXCXLMV-WMLDXEAASA-N 1 2 344.440 2.168 20 30 EEEDLO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@](=O)C1 ZINC000277651424 267233432 /nfs/dbraw/zinc/23/34/32/267233432.db2.gz ZEHLSRFUBVZDNY-BSEYFRJRSA-N 1 2 342.468 2.159 20 30 EEEDLO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@](=O)C1 ZINC000277651424 267233434 /nfs/dbraw/zinc/23/34/34/267233434.db2.gz ZEHLSRFUBVZDNY-BSEYFRJRSA-N 1 2 342.468 2.159 20 30 EEEDLO Cc1ccc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)cc1C ZINC000452042012 268037161 /nfs/dbraw/zinc/03/71/61/268037161.db2.gz LCOLYERBDGUXRC-UHFFFAOYSA-N 1 2 343.452 2.476 20 30 EEEDLO Cc1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)cc1C ZINC000452042012 268037163 /nfs/dbraw/zinc/03/71/63/268037163.db2.gz LCOLYERBDGUXRC-UHFFFAOYSA-N 1 2 343.452 2.476 20 30 EEEDLO N#Cc1ccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000420817084 268230645 /nfs/dbraw/zinc/23/06/45/268230645.db2.gz LILVFNPKRRCLAH-GFCCVEGCSA-N 1 2 327.413 2.093 20 30 EEEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnn(CC(F)F)c2)CC1 ZINC000294769256 268277036 /nfs/dbraw/zinc/27/70/36/268277036.db2.gz ASWBUDRIUFOWAE-UHFFFAOYSA-N 1 2 331.370 2.342 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000275020815 269085248 /nfs/dbraw/zinc/08/52/48/269085248.db2.gz UGRYRPLIQLNPRB-MRXNPFEDSA-N 1 2 331.416 2.284 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000275020815 269085249 /nfs/dbraw/zinc/08/52/49/269085249.db2.gz UGRYRPLIQLNPRB-MRXNPFEDSA-N 1 2 331.416 2.284 20 30 EEEDLO C[C@@H]1Cc2ccccc2C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343803344 279016753 /nfs/dbraw/zinc/01/67/53/279016753.db2.gz XDRDRMCNIIGILG-CQSZACIVSA-N 1 2 341.436 2.174 20 30 EEEDLO C[C@@H]1Cc2ccccc2C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343803344 279016754 /nfs/dbraw/zinc/01/67/54/279016754.db2.gz XDRDRMCNIIGILG-CQSZACIVSA-N 1 2 341.436 2.174 20 30 EEEDLO N#Cc1cc(F)c(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c(F)c1 ZINC000376534212 303181856 /nfs/dbraw/zinc/18/18/56/303181856.db2.gz DZEAXQFVLMJNRB-JKSUJKDBSA-N 1 2 349.381 2.210 20 30 EEEDLO COC(=O)[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C1CCCCC1 ZINC000543543750 318160882 /nfs/dbraw/zinc/16/08/82/318160882.db2.gz BTRIPKOZLHGPJB-FUHWJXTLSA-N 1 2 346.427 2.009 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc4c(n3)CCC4=O)CC2)cc1 ZINC000582083997 324375404 /nfs/dbraw/zinc/37/54/04/324375404.db2.gz XAMCGHWSBANDPP-UHFFFAOYSA-N 1 2 332.407 2.404 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1ccc(Br)o1 ZINC000073872375 463664629 /nfs/dbraw/zinc/66/46/29/463664629.db2.gz IDNXDUXJJGQAND-SNVBAGLBSA-N 1 2 328.210 2.234 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1ccc(Br)o1 ZINC000073872375 463664635 /nfs/dbraw/zinc/66/46/35/463664635.db2.gz IDNXDUXJJGQAND-SNVBAGLBSA-N 1 2 328.210 2.234 20 30 EEEDLO CN(Cc1cn2c([nH+]1)CCCC2)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000334053623 465037178 /nfs/dbraw/zinc/03/71/78/465037178.db2.gz SWOFFJDYFXVJAN-GOSISDBHSA-N 1 2 349.438 2.328 20 30 EEEDLO O=C(NCc1cccc(N2CCC2=O)c1)C1([NH+]2CCOCC2)CCC1 ZINC000328717812 465108654 /nfs/dbraw/zinc/10/86/54/465108654.db2.gz PMGCNTIMAFVHJM-UHFFFAOYSA-N 1 2 343.427 2.135 20 30 EEEDLO N#CC1(N(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C2CC2)CCC1 ZINC000328884579 465156780 /nfs/dbraw/zinc/15/67/80/465156780.db2.gz NYCOBARSTSEWBI-SFHVURJKSA-N 1 2 339.439 2.325 20 30 EEEDLO N#CC1(N(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C2CC2)CCC1 ZINC000328884579 465156786 /nfs/dbraw/zinc/15/67/86/465156786.db2.gz NYCOBARSTSEWBI-SFHVURJKSA-N 1 2 339.439 2.325 20 30 EEEDLO CC[C@H](C(=O)N(CCC#N)Cc1cccnc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339254551 465169512 /nfs/dbraw/zinc/16/95/12/465169512.db2.gz WPRXKYRKJHLAQG-ZWKOTPCHSA-N 1 2 344.459 2.213 20 30 EEEDLO CC[C@H](C(=O)N(CCC#N)Cc1cccnc1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339254551 465169518 /nfs/dbraw/zinc/16/95/18/465169518.db2.gz WPRXKYRKJHLAQG-ZWKOTPCHSA-N 1 2 344.459 2.213 20 30 EEEDLO C=C(CC)C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000358622391 465227984 /nfs/dbraw/zinc/22/79/84/465227984.db2.gz DALFCVGYPXXEJV-UHFFFAOYSA-N 1 2 348.390 2.376 20 30 EEEDLO C=CCOc1cccnc1C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000341568198 465235822 /nfs/dbraw/zinc/23/58/22/465235822.db2.gz VYPPXMFDFVYVMZ-CQSZACIVSA-N 1 2 326.400 2.459 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000337233896 465259606 /nfs/dbraw/zinc/25/96/06/465259606.db2.gz WSIRUWUVXIJNBY-CZUORRHYSA-N 1 2 341.814 2.157 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000341993028 465282658 /nfs/dbraw/zinc/28/26/58/465282658.db2.gz OADMHKAITVLONR-ZDUSSCGKSA-N 1 2 346.387 2.174 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000341996990 465284083 /nfs/dbraw/zinc/28/40/83/465284083.db2.gz UAGPUGSYJPIIGC-UHFFFAOYSA-N 1 2 346.387 2.094 20 30 EEEDLO C=C(C)COc1cccc(NC(=O)NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000356039917 465288882 /nfs/dbraw/zinc/28/88/82/465288882.db2.gz WGRJUUKVUVQBDY-OAHLLOKOSA-N 1 2 333.432 2.484 20 30 EEEDLO C=C(C)COc1cccc(NC(=O)NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000356039917 465288891 /nfs/dbraw/zinc/28/88/91/465288891.db2.gz WGRJUUKVUVQBDY-OAHLLOKOSA-N 1 2 333.432 2.484 20 30 EEEDLO C=CCN(C)C(=O)C(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000298077946 465294110 /nfs/dbraw/zinc/29/41/10/465294110.db2.gz MKGREQDUUKQNMQ-UHFFFAOYSA-N 1 2 340.427 2.153 20 30 EEEDLO O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000329341239 465305281 /nfs/dbraw/zinc/30/52/81/465305281.db2.gz RZIFUXQXJZYOHS-GDBMZVCRSA-N 1 2 340.489 2.253 20 30 EEEDLO Cc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)nn1-c1cccc(C#N)c1 ZINC000356357500 465336323 /nfs/dbraw/zinc/33/63/23/465336323.db2.gz YPZFUIIKEZMSCY-ZDUSSCGKSA-N 1 2 334.383 2.067 20 30 EEEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000128467667 462642547 /nfs/dbraw/zinc/64/25/47/462642547.db2.gz PDUDJDBEZSILFL-YMTWKCNESA-N 1 2 347.415 2.487 20 30 EEEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000088758008 462644125 /nfs/dbraw/zinc/64/41/25/462644125.db2.gz NZMUPFXNLMPLIB-AWEZNQCLSA-N 1 2 346.862 2.345 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1C#N ZINC000063665481 462660297 /nfs/dbraw/zinc/66/02/97/462660297.db2.gz AWNVFQHOPDPRNJ-LBPRGKRZSA-N 1 2 348.472 2.375 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1C#N ZINC000063665481 462660300 /nfs/dbraw/zinc/66/03/00/462660300.db2.gz AWNVFQHOPDPRNJ-LBPRGKRZSA-N 1 2 348.472 2.375 20 30 EEEDLO C=CC[N@@H+](CC(=O)N[C@@H](C(C)=O)C(C)C)Cc1cccc(C#N)c1 ZINC000154488549 462773643 /nfs/dbraw/zinc/77/36/43/462773643.db2.gz WNOSUBHUVSEOFX-LJQANCHMSA-N 1 2 327.428 2.276 20 30 EEEDLO C=CC[N@H+](CC(=O)N[C@@H](C(C)=O)C(C)C)Cc1cccc(C#N)c1 ZINC000154488549 462773648 /nfs/dbraw/zinc/77/36/48/462773648.db2.gz WNOSUBHUVSEOFX-LJQANCHMSA-N 1 2 327.428 2.276 20 30 EEEDLO COC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000008471169 462784662 /nfs/dbraw/zinc/78/46/62/462784662.db2.gz MMQBIIZSEDJXFX-LLVKDONJSA-N 1 2 349.818 2.424 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000118835713 462855298 /nfs/dbraw/zinc/85/52/98/462855298.db2.gz MFFDDMJLQPDXCS-MRXNPFEDSA-N 1 2 349.438 2.271 20 30 EEEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccccc2OCC#N)C1 ZINC000119212492 462880592 /nfs/dbraw/zinc/88/05/92/462880592.db2.gz FNMYWXUPJYZAKN-OAHLLOKOSA-N 1 2 338.411 2.417 20 30 EEEDLO N#Cc1nnc2ccccc2c1NCc1ccc[nH+]c1N1CCOCC1 ZINC000077487997 462993977 /nfs/dbraw/zinc/99/39/77/462993977.db2.gz IPQWJQBMFYSTEQ-UHFFFAOYSA-N 1 2 346.394 2.345 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(-c3ccncc3)c(C)c2)CC1 ZINC000491240811 468331945 /nfs/dbraw/zinc/33/19/45/468331945.db2.gz CYJOGXRBWIWNMY-UHFFFAOYSA-N 1 2 348.450 2.246 20 30 EEEDLO N#Cc1ccc(CN2CC[NH+](CCOCC(F)(F)F)CC2)cc1 ZINC000077676072 463021447 /nfs/dbraw/zinc/02/14/47/463021447.db2.gz NGMBYWIJFJTWRH-UHFFFAOYSA-N 1 2 327.350 2.255 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000051185117 463024762 /nfs/dbraw/zinc/02/47/62/463024762.db2.gz HTSWDLFBTKULSK-HNNXBMFYSA-N 1 2 348.878 2.470 20 30 EEEDLO CC(C)(C)CCNC(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000052640924 463097559 /nfs/dbraw/zinc/09/75/59/463097559.db2.gz FJEBOWJVBWOPIV-UHFFFAOYSA-N 1 2 346.450 2.372 20 30 EEEDLO C[C@H]1C[NH+]=C(N2CCN(c3c(C#N)nnc4ccccc43)CC2)S1 ZINC000078400632 463113597 /nfs/dbraw/zinc/11/35/97/463113597.db2.gz FXJISFLAZFTCIE-LBPRGKRZSA-N 1 2 338.440 2.115 20 30 EEEDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000135574906 463178072 /nfs/dbraw/zinc/17/80/72/463178072.db2.gz XNUSDSXNNFANHR-ZDUSSCGKSA-N 1 2 329.429 2.301 20 30 EEEDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000135574906 463178076 /nfs/dbraw/zinc/17/80/76/463178076.db2.gz XNUSDSXNNFANHR-ZDUSSCGKSA-N 1 2 329.429 2.301 20 30 EEEDLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000068872982 463184930 /nfs/dbraw/zinc/18/49/30/463184930.db2.gz IHXCUOCVGSFZNM-UHFFFAOYSA-N 1 2 335.473 2.136 20 30 EEEDLO Cc1cccc(N2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)c1C ZINC000069302872 463228972 /nfs/dbraw/zinc/22/89/72/463228972.db2.gz ZHNZMOSFDJSMTH-FQEVSTJZSA-N 1 2 342.487 2.480 20 30 EEEDLO N#Cc1cccc(NC(=O)C[NH+]2CCN(c3ccc(O)cc3)CC2)c1 ZINC000054529920 463241495 /nfs/dbraw/zinc/24/14/95/463241495.db2.gz FWLNRDRQKDDBFI-UHFFFAOYSA-N 1 2 336.395 2.025 20 30 EEEDLO Cc1nnc([C@@H](C)O[NH+]=C(N)c2ccc(N3CCCCC3)nc2)o1 ZINC000122222695 463247225 /nfs/dbraw/zinc/24/72/25/463247225.db2.gz ZMWASJXSLOGWHV-LLVKDONJSA-N 1 2 330.392 2.161 20 30 EEEDLO N#Cc1nc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)[nH]c1C#N ZINC000057155944 463459335 /nfs/dbraw/zinc/45/93/35/463459335.db2.gz NYYPJWITUHYGEM-UHFFFAOYSA-N 1 2 334.383 2.004 20 30 EEEDLO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[NH+]1CCC(C#N)CC1 ZINC000057878119 463525906 /nfs/dbraw/zinc/52/59/06/463525906.db2.gz YHISVRRPQAMJSK-LBPRGKRZSA-N 1 2 344.415 2.216 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000151475325 463537008 /nfs/dbraw/zinc/53/70/08/463537008.db2.gz QBDZQQIDZGCZSB-KRWDZBQOSA-N 1 2 339.395 2.441 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000151475325 463537012 /nfs/dbraw/zinc/53/70/12/463537012.db2.gz QBDZQQIDZGCZSB-KRWDZBQOSA-N 1 2 339.395 2.441 20 30 EEEDLO COc1ccc(F)cc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000268368630 463720535 /nfs/dbraw/zinc/72/05/35/463720535.db2.gz VPMNEZHDOLGNJY-CYBMUJFWSA-N 1 2 341.390 2.207 20 30 EEEDLO COc1ccc(F)cc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000268368630 463720541 /nfs/dbraw/zinc/72/05/41/463720541.db2.gz VPMNEZHDOLGNJY-CYBMUJFWSA-N 1 2 341.390 2.207 20 30 EEEDLO CN1CC[NH+]([C@H](C(=O)N2CCC(CC#N)CC2)c2ccccc2)CC1 ZINC000541050142 468376131 /nfs/dbraw/zinc/37/61/31/468376131.db2.gz ZSKVOEPPJOHBJO-IBGZPJMESA-N 1 2 340.471 2.127 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000287057991 463786688 /nfs/dbraw/zinc/78/66/88/463786688.db2.gz UHNGDZGSVPNMRU-CRAIPNDOSA-N 1 2 333.407 2.118 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@](F)(CO)C1 ZINC000287057991 463786694 /nfs/dbraw/zinc/78/66/94/463786694.db2.gz UHNGDZGSVPNMRU-CRAIPNDOSA-N 1 2 333.407 2.118 20 30 EEEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)S1 ZINC000178325050 463881197 /nfs/dbraw/zinc/88/11/97/463881197.db2.gz RPSAEPVWADJPGC-LBPRGKRZSA-N 1 2 329.429 2.199 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(-c2ccccc2)on1 ZINC000269206021 463909080 /nfs/dbraw/zinc/90/90/80/463909080.db2.gz ZRYYBXMVEWAWMC-UHFFFAOYSA-N 1 2 340.427 2.389 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(Cl)s1 ZINC000283684567 463972303 /nfs/dbraw/zinc/97/23/03/463972303.db2.gz SXDDWKBPMYHNJX-UHFFFAOYSA-N 1 2 341.864 2.018 20 30 EEEDLO COC[C@@H](NCC#CC[NH2+][C@H](COC)c1ccco1)c1ccco1 ZINC000283878970 464031976 /nfs/dbraw/zinc/03/19/76/464031976.db2.gz AOXXDGBYLLQSTQ-HZPDHXFCSA-N 1 2 332.400 2.130 20 30 EEEDLO CCc1cc(N)nc(S[C@H]2CCN(c3ccc(C#N)cc3)C2=O)[nH+]1 ZINC000279096923 464036192 /nfs/dbraw/zinc/03/61/92/464036192.db2.gz ONIUVUCVZHAQHQ-AWEZNQCLSA-N 1 2 339.424 2.390 20 30 EEEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000198667806 464092587 /nfs/dbraw/zinc/09/25/87/464092587.db2.gz NOXPGCZGBBULAC-UHFFFAOYSA-N 1 2 341.864 2.340 20 30 EEEDLO CCCCCCCCNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000284203071 464107873 /nfs/dbraw/zinc/10/78/73/464107873.db2.gz WPDDVWIVNAQRJR-MRXNPFEDSA-N 1 2 346.475 2.253 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263774304 464185674 /nfs/dbraw/zinc/18/56/74/464185674.db2.gz XGCIOVITBLGKER-MAUKXSAKSA-N 1 2 329.444 2.240 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263774304 464185678 /nfs/dbraw/zinc/18/56/78/464185678.db2.gz XGCIOVITBLGKER-MAUKXSAKSA-N 1 2 329.444 2.240 20 30 EEEDLO CC(C)[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1nc(C2CC2)no1 ZINC000179819240 464193900 /nfs/dbraw/zinc/19/39/00/464193900.db2.gz XRXQMDFQDHFKTM-PBHICJAKSA-N 1 2 331.420 2.042 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[NH2+][C@H](c2ccccc2OC)C1 ZINC000337588193 465453684 /nfs/dbraw/zinc/45/36/84/465453684.db2.gz LUJKEMILGPGFMM-INIZCTEOSA-N 1 2 325.412 2.469 20 30 EEEDLO CC(C)[C@@H]1C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CCCO1 ZINC000292986617 464379321 /nfs/dbraw/zinc/37/93/21/464379321.db2.gz BUTUTAMQGFHLQP-GJZGRUSLSA-N 1 2 333.457 2.472 20 30 EEEDLO CC(C)[C@@H]1C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CCCO1 ZINC000292986617 464379325 /nfs/dbraw/zinc/37/93/25/464379325.db2.gz BUTUTAMQGFHLQP-GJZGRUSLSA-N 1 2 333.457 2.472 20 30 EEEDLO CS(=O)(=O)C[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000293286417 464397856 /nfs/dbraw/zinc/39/78/56/464397856.db2.gz KAEOPPVUIWTLAL-HNNXBMFYSA-N 1 2 325.861 2.448 20 30 EEEDLO CS(=O)(=O)C[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000293286417 464397858 /nfs/dbraw/zinc/39/78/58/464397858.db2.gz KAEOPPVUIWTLAL-HNNXBMFYSA-N 1 2 325.861 2.448 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000293314603 464398868 /nfs/dbraw/zinc/39/88/68/464398868.db2.gz XEOGXKCZLBQSIF-INIZCTEOSA-N 1 2 330.428 2.322 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000293314603 464398876 /nfs/dbraw/zinc/39/88/76/464398876.db2.gz XEOGXKCZLBQSIF-INIZCTEOSA-N 1 2 330.428 2.322 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1=O ZINC000281298691 464405653 /nfs/dbraw/zinc/40/56/53/464405653.db2.gz JSLNEQKWZOBOBD-RHSMWYFYSA-N 1 2 347.434 2.064 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1=O ZINC000281298691 464405658 /nfs/dbraw/zinc/40/56/58/464405658.db2.gz JSLNEQKWZOBOBD-RHSMWYFYSA-N 1 2 347.434 2.064 20 30 EEEDLO NC(CN1CCOCC1)=[NH+]OCc1cc(Cl)cc2cccnc21 ZINC000264724339 464438748 /nfs/dbraw/zinc/43/87/48/464438748.db2.gz PQAYIBXKVPHDHJ-UHFFFAOYSA-N 1 2 334.807 2.009 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)c[nH]1 ZINC000181351085 464475953 /nfs/dbraw/zinc/47/59/53/464475953.db2.gz ZQDUIXDLDZSJPA-UHFFFAOYSA-N 1 2 328.803 2.498 20 30 EEEDLO Cn1c[nH+]cc1CCC(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000189365257 464486242 /nfs/dbraw/zinc/48/62/42/464486242.db2.gz NTYHWQWGROZUGS-CQSZACIVSA-N 1 2 347.216 2.496 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000281630637 464527872 /nfs/dbraw/zinc/52/78/72/464527872.db2.gz XMYJROKKXLNBSX-WMZOPIPTSA-N 1 2 344.459 2.462 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000294579606 464543596 /nfs/dbraw/zinc/54/35/96/464543596.db2.gz SXJVAAWTJCYYRO-LJQANCHMSA-N 1 2 342.443 2.410 20 30 EEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)C[C@H]21 ZINC000285549017 464606012 /nfs/dbraw/zinc/60/60/12/464606012.db2.gz VBNCIYZJPSTRQF-KZNAEPCWSA-N 1 2 342.443 2.146 20 30 EEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)C[C@H]21 ZINC000285549017 464606019 /nfs/dbraw/zinc/60/60/19/464606019.db2.gz VBNCIYZJPSTRQF-KZNAEPCWSA-N 1 2 342.443 2.146 20 30 EEEDLO N#Cc1cc(C#N)c(SCc2ccc(-n3cc[nH+]c3)nc2)nc1N ZINC000175934210 464662471 /nfs/dbraw/zinc/66/24/71/464662471.db2.gz VAKCZXAWYRPPFQ-UHFFFAOYSA-N 1 2 333.380 2.280 20 30 EEEDLO C=CCN1CC[C@H]([NH+]2CCN([C@@H](C)c3ccc(F)cc3F)CC2)C1=O ZINC000282101261 464697985 /nfs/dbraw/zinc/69/79/85/464697985.db2.gz WAYHSOPHFRPLMT-KSSFIOAISA-N 1 2 349.425 2.430 20 30 EEEDLO CN(CCOc1ccccc1F)C(=O)C[N@H+](CCC#N)CC1CC1 ZINC000266943405 464880250 /nfs/dbraw/zinc/88/02/50/464880250.db2.gz RXGATVLTKYIHMY-UHFFFAOYSA-N 1 2 333.407 2.289 20 30 EEEDLO CN(CCOc1ccccc1F)C(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000266943405 464880255 /nfs/dbraw/zinc/88/02/55/464880255.db2.gz RXGATVLTKYIHMY-UHFFFAOYSA-N 1 2 333.407 2.289 20 30 EEEDLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000192245794 464892391 /nfs/dbraw/zinc/89/23/91/464892391.db2.gz SUIHYDHEMAIYRA-KRWDZBQOSA-N 1 2 349.394 2.184 20 30 EEEDLO CCc1cnc(CNC(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000329977161 465494090 /nfs/dbraw/zinc/49/40/90/465494090.db2.gz ZITTUIZJKQVXRR-ZDUSSCGKSA-N 1 2 348.476 2.221 20 30 EEEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1cnccc1C#N ZINC000358794974 465327502 /nfs/dbraw/zinc/32/75/02/465327502.db2.gz YZZCDSHZGMXNBL-UHFFFAOYSA-N 1 2 331.379 2.470 20 30 EEEDLO C=CCOc1ccc(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)cc1 ZINC000359084565 465374341 /nfs/dbraw/zinc/37/43/41/465374341.db2.gz BOSRCXCQAGUGMO-IBGZPJMESA-N 1 2 344.455 2.369 20 30 EEEDLO C=CCOc1ccc(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)cc1 ZINC000359084565 465374347 /nfs/dbraw/zinc/37/43/47/465374347.db2.gz BOSRCXCQAGUGMO-IBGZPJMESA-N 1 2 344.455 2.369 20 30 EEEDLO C=CCC[C@H](NC(=O)C(=O)N1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000359413217 465404919 /nfs/dbraw/zinc/40/49/19/465404919.db2.gz RLKBXJJVDNODPR-SFHVURJKSA-N 1 2 341.455 2.117 20 30 EEEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@](CO)(C(C)C)C2)c(C#N)c1C ZINC000339706178 465457025 /nfs/dbraw/zinc/45/70/25/465457025.db2.gz FHOXMVADEHGAOU-GOSISDBHSA-N 1 2 333.432 2.437 20 30 EEEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c(C#N)c1C ZINC000339706178 465457028 /nfs/dbraw/zinc/45/70/28/465457028.db2.gz FHOXMVADEHGAOU-GOSISDBHSA-N 1 2 333.432 2.437 20 30 EEEDLO CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C12CCOCC2 ZINC000329951684 465486104 /nfs/dbraw/zinc/48/61/04/465486104.db2.gz IICLREUIEXPELF-VNQPRFMTSA-N 1 2 333.432 2.376 20 30 EEEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)C[C@@H]1CCCCO1 ZINC000329986159 465497509 /nfs/dbraw/zinc/49/75/09/465497509.db2.gz RQMXJNTXYJICMT-KKUMJFAQSA-N 1 2 338.427 2.248 20 30 EEEDLO COc1cc(OC)cc([C@H](NC(=O)CCCC#N)c2[nH+]ccn2C)c1 ZINC000359910359 465506089 /nfs/dbraw/zinc/50/60/89/465506089.db2.gz ZQQSVFXKIQMOJH-KRWDZBQOSA-N 1 2 342.399 2.337 20 30 EEEDLO COc1ccc(CN(C)C(=O)C[NH+]2CCC(F)(C#N)CC2)cc1F ZINC000352458246 465530739 /nfs/dbraw/zinc/53/07/39/465530739.db2.gz ICBXAGDXQFFVCC-UHFFFAOYSA-N 1 2 337.370 2.120 20 30 EEEDLO N#CCNC(=O)C[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000344051455 465580663 /nfs/dbraw/zinc/58/06/63/465580663.db2.gz ANTYVWHAGMDQKO-UHFFFAOYSA-N 1 2 346.843 2.461 20 30 EEEDLO N#CCNC(=O)C[N@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000344051455 465580670 /nfs/dbraw/zinc/58/06/70/465580670.db2.gz ANTYVWHAGMDQKO-UHFFFAOYSA-N 1 2 346.843 2.461 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccnn1C ZINC000348399091 465581752 /nfs/dbraw/zinc/58/17/52/465581752.db2.gz IWORKBLPWDTANF-AWEZNQCLSA-N 1 2 343.406 2.326 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccnn1C ZINC000348399091 465581761 /nfs/dbraw/zinc/58/17/61/465581761.db2.gz IWORKBLPWDTANF-AWEZNQCLSA-N 1 2 343.406 2.326 20 30 EEEDLO O=C(NCC#Cc1cccc(F)c1)NC[C@H]1CCCn2cc[nH+]c21 ZINC000554734073 468440340 /nfs/dbraw/zinc/44/03/40/468440340.db2.gz MOTVCICUFFZWAV-OAHLLOKOSA-N 1 2 326.375 2.251 20 30 EEEDLO CCN1CC[N@H+](Cc2cc(C#N)ccc2OC)C[C@H]1c1ncc[nH]1 ZINC000348413729 465590507 /nfs/dbraw/zinc/59/05/07/465590507.db2.gz WYBDCGKRWBMKQA-INIZCTEOSA-N 1 2 325.416 2.169 20 30 EEEDLO CCN1CC[N@@H+](Cc2cc(C#N)ccc2OC)C[C@H]1c1ncc[nH]1 ZINC000348413729 465590520 /nfs/dbraw/zinc/59/05/20/465590520.db2.gz WYBDCGKRWBMKQA-INIZCTEOSA-N 1 2 325.416 2.169 20 30 EEEDLO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330292263 465602051 /nfs/dbraw/zinc/60/20/51/465602051.db2.gz DEUYRTSIBPRRGF-NSHDSACASA-N 1 2 329.404 2.304 20 30 EEEDLO CCN1CCN(C(=O)Nc2cc(F)ccc2OC)C[C@H]1c1[nH]cc[nH+]1 ZINC000330332428 465616584 /nfs/dbraw/zinc/61/65/84/465616584.db2.gz OWVPNODUNLICOE-AWEZNQCLSA-N 1 2 347.394 2.482 20 30 EEEDLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000330518952 465691153 /nfs/dbraw/zinc/69/11/53/465691153.db2.gz NJKCTVQXDCWSLB-SFHVURJKSA-N 1 2 333.432 2.466 20 30 EEEDLO CC[C@@]1(C)COCC[N@H+]1CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000330518952 465691158 /nfs/dbraw/zinc/69/11/58/465691158.db2.gz NJKCTVQXDCWSLB-SFHVURJKSA-N 1 2 333.432 2.466 20 30 EEEDLO C=CCNC(=O)c1ccc(NCc2cccc(-c3[nH]cc[nH+]3)c2)nc1 ZINC000361041245 465724574 /nfs/dbraw/zinc/72/45/74/465724574.db2.gz DEZBWFYEJUYOAS-UHFFFAOYSA-N 1 2 333.395 3.000 20 30 EEEDLO CCNC(=O)CNC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000330771547 465797852 /nfs/dbraw/zinc/79/78/52/465797852.db2.gz CIIGSNVLSHAVTQ-ZDUSSCGKSA-N 1 2 333.436 2.231 20 30 EEEDLO N#Cc1cnc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000338122831 465833263 /nfs/dbraw/zinc/83/32/63/465833263.db2.gz HFMBIOXSIMRWBU-GFCCVEGCSA-N 1 2 327.775 2.010 20 30 EEEDLO N#Cc1ccsc1NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000340256039 465925778 /nfs/dbraw/zinc/92/57/78/465925778.db2.gz TWNJTXKSKDCAKT-UHFFFAOYSA-N 1 2 337.364 2.383 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000346035917 465926615 /nfs/dbraw/zinc/92/66/15/465926615.db2.gz LXGBKYULDYOCFN-NJAFHUGGSA-N 1 2 329.444 2.268 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000353502216 465936229 /nfs/dbraw/zinc/93/62/29/465936229.db2.gz PPDVCEPJNZXURX-GOSISDBHSA-N 1 2 344.455 2.369 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000353502216 465936235 /nfs/dbraw/zinc/93/62/35/465936235.db2.gz PPDVCEPJNZXURX-GOSISDBHSA-N 1 2 344.455 2.369 20 30 EEEDLO C[C@@H](CNC(=O)Nc1ncc(C(C)(C)C)s1)[NH+]1CCOCC1 ZINC000331231378 465988441 /nfs/dbraw/zinc/98/84/41/465988441.db2.gz DVHFEYOHTMXLPR-NSHDSACASA-N 1 2 326.466 2.487 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2cc(OC)ccc2F)CC1 ZINC000569295184 468467031 /nfs/dbraw/zinc/46/70/31/468467031.db2.gz WWDBAILOZWPIAN-UHFFFAOYSA-N 1 2 349.450 2.381 20 30 EEEDLO COc1ccc2[nH+]c(C)nc(NCCCc3[nH]nc(N)c3C#N)c2c1 ZINC000301831206 466040766 /nfs/dbraw/zinc/04/07/66/466040766.db2.gz SMEMLSLSSIYCPQ-UHFFFAOYSA-N 1 2 337.387 2.169 20 30 EEEDLO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC[N@@H+]1C ZINC000362891722 466102424 /nfs/dbraw/zinc/10/24/24/466102424.db2.gz ANQUWKSKYMIYFO-AWEZNQCLSA-N 1 2 341.864 2.172 20 30 EEEDLO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC[N@H+]1C ZINC000362891722 466102434 /nfs/dbraw/zinc/10/24/34/466102434.db2.gz ANQUWKSKYMIYFO-AWEZNQCLSA-N 1 2 341.864 2.172 20 30 EEEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCOCC23CC3)c(OC)c1 ZINC000338597742 466247341 /nfs/dbraw/zinc/24/73/41/466247341.db2.gz PJPKTRFVTFTBGT-INIZCTEOSA-N 1 2 333.428 2.028 20 30 EEEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCOCC23CC3)c(OC)c1 ZINC000338597742 466247349 /nfs/dbraw/zinc/24/73/49/466247349.db2.gz PJPKTRFVTFTBGT-INIZCTEOSA-N 1 2 333.428 2.028 20 30 EEEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000363289762 466328236 /nfs/dbraw/zinc/32/82/36/466328236.db2.gz XQUDVZXXNFLEMP-SJORKVTESA-N 1 2 333.395 2.294 20 30 EEEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000363289762 466328240 /nfs/dbraw/zinc/32/82/40/466328240.db2.gz XQUDVZXXNFLEMP-SJORKVTESA-N 1 2 333.395 2.294 20 30 EEEDLO Cc1cccc(S(=O)(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c1C#N ZINC000372385833 466343602 /nfs/dbraw/zinc/34/36/02/466343602.db2.gz IVKXAJIBUKWSSY-UHFFFAOYSA-N 1 2 344.440 2.220 20 30 EEEDLO C=C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000340812342 466354993 /nfs/dbraw/zinc/35/49/93/466354993.db2.gz BFDWQHCRCCZNKM-LBPRGKRZSA-N 1 2 326.400 2.392 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000354211881 466382997 /nfs/dbraw/zinc/38/29/97/466382997.db2.gz YSWFJZTVYOBOTN-SCLBCKFNSA-N 1 2 338.398 2.373 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000354211881 466383007 /nfs/dbraw/zinc/38/30/07/466383007.db2.gz YSWFJZTVYOBOTN-SCLBCKFNSA-N 1 2 338.398 2.373 20 30 EEEDLO CC(C)(C(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1c[nH+]c[nH]1 ZINC000332103764 466390231 /nfs/dbraw/zinc/39/02/31/466390231.db2.gz DRQMKURSPAEXAG-UHFFFAOYSA-N 1 2 341.390 2.047 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC000363605942 466503349 /nfs/dbraw/zinc/50/33/49/466503349.db2.gz UXEWJQUOASDJRQ-GFCCVEGCSA-N 1 2 349.456 2.043 20 30 EEEDLO C=CCCCCCNC(=O)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000569472692 468496724 /nfs/dbraw/zinc/49/67/24/468496724.db2.gz QFIVDFBOHROWCK-OAHLLOKOSA-N 1 2 332.448 2.048 20 30 EEEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)NCc3cccnc3)CC2)cc1 ZINC000362101223 466557223 /nfs/dbraw/zinc/55/72/23/466557223.db2.gz BDXIKGQLXUPUAM-UHFFFAOYSA-N 1 2 332.407 2.359 20 30 EEEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NCc3cccnc3)CC2)cc1 ZINC000362101223 466557233 /nfs/dbraw/zinc/55/72/33/466557233.db2.gz BDXIKGQLXUPUAM-UHFFFAOYSA-N 1 2 332.407 2.359 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347337260 466577439 /nfs/dbraw/zinc/57/74/39/466577439.db2.gz ASRWHSCTRITZGC-HZPDHXFCSA-N 1 2 347.484 2.249 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347337260 466577445 /nfs/dbraw/zinc/57/74/45/466577445.db2.gz ASRWHSCTRITZGC-HZPDHXFCSA-N 1 2 347.484 2.249 20 30 EEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347387758 466603550 /nfs/dbraw/zinc/60/35/50/466603550.db2.gz ZCADAPISOTVPLB-AUCMRZJMSA-N 1 2 339.455 2.102 20 30 EEEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347387758 466603555 /nfs/dbraw/zinc/60/35/55/466603555.db2.gz ZCADAPISOTVPLB-AUCMRZJMSA-N 1 2 339.455 2.102 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000369385099 466729608 /nfs/dbraw/zinc/72/96/08/466729608.db2.gz ICAOHROBMAKPPJ-INIZCTEOSA-N 1 2 347.459 2.241 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000369385099 466729614 /nfs/dbraw/zinc/72/96/14/466729614.db2.gz ICAOHROBMAKPPJ-INIZCTEOSA-N 1 2 347.459 2.241 20 30 EEEDLO COc1ccc(C(=O)N2CC[NH+]([C@H](C)CCC#N)CC2)c(OC)c1 ZINC000411179408 466778475 /nfs/dbraw/zinc/77/84/75/466778475.db2.gz CALXHAHKLQZESJ-CQSZACIVSA-N 1 2 331.416 2.154 20 30 EEEDLO C=CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1)c1ccccc1 ZINC000412363132 467074549 /nfs/dbraw/zinc/07/45/49/467074549.db2.gz JLECGNDXPHAQAV-AEFFLSMTSA-N 1 2 344.455 2.348 20 30 EEEDLO C=CC[C@H](C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1)c1ccccc1 ZINC000412363132 467074553 /nfs/dbraw/zinc/07/45/53/467074553.db2.gz JLECGNDXPHAQAV-AEFFLSMTSA-N 1 2 344.455 2.348 20 30 EEEDLO N#C[C@H]1CC[C@@H](NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000425612421 467115465 /nfs/dbraw/zinc/11/54/65/467115465.db2.gz QJYDFLBZGPMRSG-DLBZAZTESA-N 1 2 342.443 2.085 20 30 EEEDLO Cc1cccc(-n2ccnc2SC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000414092797 467376835 /nfs/dbraw/zinc/37/68/35/467376835.db2.gz GRSWGAIRRXBJNB-INIZCTEOSA-N 1 2 330.457 2.479 20 30 EEEDLO Cc1cccc(-n2ccnc2SC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414092797 467376838 /nfs/dbraw/zinc/37/68/38/467376838.db2.gz GRSWGAIRRXBJNB-INIZCTEOSA-N 1 2 330.457 2.479 20 30 EEEDLO COc1ccc(OC[C@H](O)C[N@H+](C)CCC#N)c2nc(C)ccc12 ZINC000414131587 467381357 /nfs/dbraw/zinc/38/13/57/467381357.db2.gz ZMXWXPMETFBBML-CQSZACIVSA-N 1 2 329.400 2.137 20 30 EEEDLO COc1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)c2nc(C)ccc12 ZINC000414131587 467381359 /nfs/dbraw/zinc/38/13/59/467381359.db2.gz ZMXWXPMETFBBML-CQSZACIVSA-N 1 2 329.400 2.137 20 30 EEEDLO C=CCn1c(N)nnc1SCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421188999 467538445 /nfs/dbraw/zinc/53/84/45/467538445.db2.gz YGOYPHUZTHMSIM-UHFFFAOYSA-N 1 2 345.472 2.171 20 30 EEEDLO C=CC[C@H](C)NC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000441165655 467571728 /nfs/dbraw/zinc/57/17/28/467571728.db2.gz GJSQZCFJTWMTNI-SUMWQHHRSA-N 1 2 325.453 2.056 20 30 EEEDLO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ncc(C#N)cn2)CC1 ZINC000496541331 467639650 /nfs/dbraw/zinc/63/96/50/467639650.db2.gz ZSSOFORYWMYFAM-ZDUSSCGKSA-N 1 2 345.447 2.473 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000457566416 467653160 /nfs/dbraw/zinc/65/31/60/467653160.db2.gz ZUDMQZVELILYTK-HOTGVXAUSA-N 1 2 346.406 2.275 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000497135942 467852617 /nfs/dbraw/zinc/85/26/17/467852617.db2.gz WDOHFYMFVBGXKV-QGZVFWFLSA-N 1 2 347.419 2.002 20 30 EEEDLO C[C@@H]1CCCC[C@H]1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000514617882 467944391 /nfs/dbraw/zinc/94/43/91/467944391.db2.gz ZNGXIHQLTLXVRU-WBVHZDCISA-N 1 2 329.444 2.378 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000530336970 467976733 /nfs/dbraw/zinc/97/67/33/467976733.db2.gz WGHMKKRLWMIDEU-OAHLLOKOSA-N 1 2 349.438 2.181 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ccc(Br)cc1 ZINC000515303975 467983976 /nfs/dbraw/zinc/98/39/76/467983976.db2.gz OMEDYFJZAXAOEZ-HNNXBMFYSA-N 1 2 338.249 2.342 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000495665411 468099354 /nfs/dbraw/zinc/09/93/54/468099354.db2.gz TZHKTZNZKMGENZ-ZDUSSCGKSA-N 1 2 344.415 2.048 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000518760974 468124730 /nfs/dbraw/zinc/12/47/30/468124730.db2.gz VDFSYCDPIRYQMQ-RDJZCZTQSA-N 1 2 326.400 2.263 20 30 EEEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000575427036 468143185 /nfs/dbraw/zinc/14/31/85/468143185.db2.gz HNHHCMYJWLVFAE-KGLIPLIRSA-N 1 2 328.416 2.422 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(NC(=O)c2ccoc2)c1 ZINC000575917281 468156246 /nfs/dbraw/zinc/15/62/46/468156246.db2.gz RTEIYNNJKFSHHG-KRWDZBQOSA-N 1 2 342.399 2.150 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(NC(=O)c2ccoc2)c1 ZINC000575917281 468156253 /nfs/dbraw/zinc/15/62/53/468156253.db2.gz RTEIYNNJKFSHHG-KRWDZBQOSA-N 1 2 342.399 2.150 20 30 EEEDLO COCc1cc(NC2CCN(CC#N)CC2)c2cc(F)ccc2[nH+]1 ZINC000589571029 468162918 /nfs/dbraw/zinc/16/29/18/468162918.db2.gz MKHVJMIIGNFSEG-UHFFFAOYSA-N 1 2 328.391 2.342 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)OCc1cc[nH+]c(N)c1 ZINC000496428417 468241596 /nfs/dbraw/zinc/24/15/96/468241596.db2.gz FCWKXTFBBCHDAB-ZDUSSCGKSA-N 1 2 348.403 2.294 20 30 EEEDLO C=CCCCC[N@@H+](C)Cc1nnnn1-c1cc(OC)cc(OC)c1 ZINC000578835143 468262952 /nfs/dbraw/zinc/26/29/52/468262952.db2.gz XYLAANRVGGYZKS-UHFFFAOYSA-N 1 2 331.420 2.468 20 30 EEEDLO C=CCCCC[N@H+](C)Cc1nnnn1-c1cc(OC)cc(OC)c1 ZINC000578835143 468262957 /nfs/dbraw/zinc/26/29/57/468262957.db2.gz XYLAANRVGGYZKS-UHFFFAOYSA-N 1 2 331.420 2.468 20 30 EEEDLO Cc1cccc2ncc(C[NH+]3CCN(c4cnccc4C#N)CC3)n21 ZINC000569768395 468539526 /nfs/dbraw/zinc/53/95/26/468539526.db2.gz FAJCPVHTSJDMFG-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148463 468638700 /nfs/dbraw/zinc/63/87/00/468638700.db2.gz YSVJWJOQFDOMGB-IFXJQAMLSA-N 1 2 329.444 2.489 20 30 EEEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148463 468638704 /nfs/dbraw/zinc/63/87/04/468638704.db2.gz YSVJWJOQFDOMGB-IFXJQAMLSA-N 1 2 329.444 2.489 20 30 EEEDLO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000600828632 468667168 /nfs/dbraw/zinc/66/71/68/468667168.db2.gz CIRADQQXXYPGMS-HDMKZQKVSA-N 1 2 346.450 2.311 20 30 EEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)Nc1cccc(C#N)n1 ZINC000592269808 468668429 /nfs/dbraw/zinc/66/84/29/468668429.db2.gz OBGGLZYDJYTFOJ-UHFFFAOYSA-N 1 2 338.293 2.376 20 30 EEEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cnn1-c1ccccc1C ZINC000593155629 468889633 /nfs/dbraw/zinc/88/96/33/468889633.db2.gz LVYKMNLNSTZRGU-GOSISDBHSA-N 1 2 325.416 2.063 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnn(-c2ccccc2Cl)c1 ZINC000593155233 468889825 /nfs/dbraw/zinc/88/98/25/468889825.db2.gz CMUFNTCDCDECLU-MRXNPFEDSA-N 1 2 331.807 2.099 20 30 EEEDLO C=CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](C)COC ZINC000595639814 468935095 /nfs/dbraw/zinc/93/50/95/468935095.db2.gz WUJLLHYVJBJDJJ-ZDUSSCGKSA-N 1 2 333.388 2.007 20 30 EEEDLO C=CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](C)COC ZINC000595639814 468935097 /nfs/dbraw/zinc/93/50/97/468935097.db2.gz WUJLLHYVJBJDJJ-ZDUSSCGKSA-N 1 2 333.388 2.007 20 30 EEEDLO CC[C@H](C#N)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000593449355 468984455 /nfs/dbraw/zinc/98/44/55/468984455.db2.gz AQYMIENGNIWOCZ-FUHWJXTLSA-N 1 2 329.444 2.286 20 30 EEEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000610656923 469028404 /nfs/dbraw/zinc/02/84/04/469028404.db2.gz RJFFKVFQYHSJDZ-VQIMIIECSA-N 1 2 342.395 2.159 20 30 EEEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000610656923 469028409 /nfs/dbraw/zinc/02/84/09/469028409.db2.gz RJFFKVFQYHSJDZ-VQIMIIECSA-N 1 2 342.395 2.159 20 30 EEEDLO N#Cc1ccc([C@@H]([NH2+][C@@H]2COc3c2cccc3Cl)C(N)=O)cc1 ZINC000610706382 469045781 /nfs/dbraw/zinc/04/57/81/469045781.db2.gz LKUCZVBCWJPKHI-HUUCEWRRSA-N 1 2 327.771 2.461 20 30 EEEDLO CCOc1ccc(N2CC[NH+](Cc3ccc(C#N)s3)CC2)nn1 ZINC000595893611 469067833 /nfs/dbraw/zinc/06/78/33/469067833.db2.gz XQFJMFBCGCFQIQ-UHFFFAOYSA-N 1 2 329.429 2.131 20 30 EEEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000614925266 469095993 /nfs/dbraw/zinc/09/59/93/469095993.db2.gz XTXIJBDDMYRKHS-HIFRSBDPSA-N 1 2 341.333 2.128 20 30 EEEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000614925266 469095998 /nfs/dbraw/zinc/09/59/98/469095998.db2.gz XTXIJBDDMYRKHS-HIFRSBDPSA-N 1 2 341.333 2.128 20 30 EEEDLO N#CCCCCCC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000588263220 469133266 /nfs/dbraw/zinc/13/32/66/469133266.db2.gz IRDHKRIQZSAOTA-UHFFFAOYSA-N 1 2 339.443 2.453 20 30 EEEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1)c1ccc(Cl)cc1 ZINC000611173962 469180598 /nfs/dbraw/zinc/18/05/98/469180598.db2.gz AQSZXWHKGJXSKL-HUUCEWRRSA-N 1 2 348.878 2.437 20 30 EEEDLO N#CCCN1CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000611174648 469181490 /nfs/dbraw/zinc/18/14/90/469181490.db2.gz NZMHVQWSVAACME-UHFFFAOYSA-N 1 2 335.455 2.392 20 30 EEEDLO COc1ccc(C[NH+]2CCN(CCC#N)CC2)cc1Br ZINC000611174681 469181518 /nfs/dbraw/zinc/18/15/18/469181518.db2.gz ORLLKXNIEMSSLP-UHFFFAOYSA-N 1 2 338.249 2.489 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)CCC1 ZINC000615226916 469185695 /nfs/dbraw/zinc/18/56/95/469185695.db2.gz AADDIGIMIUEAOV-ZDUSSCGKSA-N 1 2 333.819 2.356 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)CCC1 ZINC000615226916 469185697 /nfs/dbraw/zinc/18/56/97/469185697.db2.gz AADDIGIMIUEAOV-ZDUSSCGKSA-N 1 2 333.819 2.356 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599515470 469281012 /nfs/dbraw/zinc/28/10/12/469281012.db2.gz SSXVGRZXHMFPQE-ZDUSSCGKSA-N 1 2 337.370 2.156 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599515470 469281014 /nfs/dbraw/zinc/28/10/14/469281014.db2.gz SSXVGRZXHMFPQE-ZDUSSCGKSA-N 1 2 337.370 2.156 20 30 EEEDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cn(CC3(C#N)CC3)nn2)CC1 ZINC000603227487 469315733 /nfs/dbraw/zinc/31/57/33/469315733.db2.gz QPXLBAANOWMOBA-UHFFFAOYSA-N 1 2 345.447 2.136 20 30 EEEDLO N#Cc1cccc(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)n1 ZINC000602476086 469332013 /nfs/dbraw/zinc/33/20/13/469332013.db2.gz WABKCQBGMSGRDA-UHFFFAOYSA-N 1 2 347.422 2.193 20 30 EEEDLO N#Cc1cccc(C[N@@H+](CCO)Cc2cnn(Cc3ccccc3)c2)n1 ZINC000602476086 469332016 /nfs/dbraw/zinc/33/20/16/469332016.db2.gz WABKCQBGMSGRDA-UHFFFAOYSA-N 1 2 347.422 2.193 20 30 EEEDLO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1n[nH]cc1Br ZINC000602552414 469358259 /nfs/dbraw/zinc/35/82/59/469358259.db2.gz WDJRCRPUTZADIV-JTQLQIEISA-N 1 2 327.226 2.361 20 30 EEEDLO CCCC(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000603682522 469422717 /nfs/dbraw/zinc/42/27/17/469422717.db2.gz YQJCEZFANTVGBZ-CQSZACIVSA-N 1 2 342.443 2.266 20 30 EEEDLO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)C[C@H](C)C#N ZINC000604414592 469476810 /nfs/dbraw/zinc/47/68/10/469476810.db2.gz JMDYMQQGRUSSCL-WWRWRHIGSA-N 1 2 346.475 2.261 20 30 EEEDLO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)C[C@H](C)C#N ZINC000604414592 469476814 /nfs/dbraw/zinc/47/68/14/469476814.db2.gz JMDYMQQGRUSSCL-WWRWRHIGSA-N 1 2 346.475 2.261 20 30 EEEDLO Nc1ncc2c(n1)C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000623293159 469611899 /nfs/dbraw/zinc/61/18/99/469611899.db2.gz MCZKMNDOTHYSJQ-UHFFFAOYSA-N 1 2 348.328 2.367 20 30 EEEDLO Nc1ncc2c(n1)C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000623293159 469611902 /nfs/dbraw/zinc/61/19/02/469611902.db2.gz MCZKMNDOTHYSJQ-UHFFFAOYSA-N 1 2 348.328 2.367 20 30 EEEDLO COc1cc[nH+]c(CN2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000609311692 469915512 /nfs/dbraw/zinc/91/55/12/469915512.db2.gz PFRVKUQNUQWGHR-UHFFFAOYSA-N 1 2 339.399 2.149 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000609486036 469932551 /nfs/dbraw/zinc/93/25/51/469932551.db2.gz BYSHSYQJGLFFFX-VHPHOLNESA-N 1 2 348.535 2.482 20 30 EEEDLO C=CCNS(=O)(=O)c1ccccc1NCCCCn1cc[nH+]c1 ZINC000641480080 470374346 /nfs/dbraw/zinc/37/43/46/470374346.db2.gz PVWJVYKLKBCZPX-UHFFFAOYSA-N 1 2 334.445 2.240 20 30 EEEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2c(C)cc(C)cc2Cl)nn1 ZINC000640799211 471033709 /nfs/dbraw/zinc/03/37/09/471033709.db2.gz YPZWMTYCQYAHMF-UHFFFAOYSA-N 1 2 345.834 2.300 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)nn1 ZINC000640912956 471115630 /nfs/dbraw/zinc/11/56/30/471115630.db2.gz CQTQLKQQGLXDQM-NSHDSACASA-N 1 2 349.797 2.383 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)nn1 ZINC000640924980 471122235 /nfs/dbraw/zinc/12/22/35/471122235.db2.gz MDHNGXZAZOGTKS-HNNXBMFYSA-N 1 2 325.416 2.208 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663870155 471557628 /nfs/dbraw/zinc/55/76/28/471557628.db2.gz PLESFIAIJDOTGT-PBHICJAKSA-N 1 2 332.448 2.221 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663870155 471557636 /nfs/dbraw/zinc/55/76/36/471557636.db2.gz PLESFIAIJDOTGT-PBHICJAKSA-N 1 2 332.448 2.221 20 30 EEEDLO C=CCCn1cc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)nn1 ZINC000653506081 471644294 /nfs/dbraw/zinc/64/42/94/471644294.db2.gz KLBNWDKTRHSWKR-UHFFFAOYSA-N 1 2 345.472 2.310 20 30 EEEDLO C=C[C@](C)(O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000668574186 472179486 /nfs/dbraw/zinc/17/94/86/472179486.db2.gz RXSBOULRTRRGHJ-PBHICJAKSA-N 1 2 340.826 2.497 20 30 EEEDLO C=C[C@](C)(O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000668574186 472179490 /nfs/dbraw/zinc/17/94/90/472179490.db2.gz RXSBOULRTRRGHJ-PBHICJAKSA-N 1 2 340.826 2.497 20 30 EEEDLO C=CCCNC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000665943554 472247035 /nfs/dbraw/zinc/24/70/35/472247035.db2.gz VVSRUWKPUJGQSF-OAHLLOKOSA-N 1 2 330.432 2.421 20 30 EEEDLO CNC(=O)c1cccc(C[NH+]2CCN(c3ccsc3C#N)CC2)c1 ZINC000595633566 485606814 /nfs/dbraw/zinc/60/68/14/485606814.db2.gz ZTQPZALGYZDQJW-UHFFFAOYSA-N 1 2 340.452 2.302 20 30 EEEDLO CCC#C[C@@H](C)[NH+]1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000680387985 485958608 /nfs/dbraw/zinc/95/86/08/485958608.db2.gz FJAXBMFKSHBXJL-PBHICJAKSA-N 1 2 333.863 2.286 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000684792747 485997783 /nfs/dbraw/zinc/99/77/83/485997783.db2.gz YCFBZKQCFBQSHP-RDJZCZTQSA-N 1 2 342.443 2.466 20 30 EEEDLO COCC#CC[NH+]1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000677818879 486499727 /nfs/dbraw/zinc/49/97/27/486499727.db2.gz KMRJNGYUDMXHIK-MRXNPFEDSA-N 1 2 340.427 2.065 20 30 EEEDLO CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000254955754 534583010 /nfs/dbraw/zinc/58/30/10/534583010.db2.gz HCOICYKPUOUMBB-IAQYHMDHSA-N 1 2 348.834 2.139 20 30 EEEDLO CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000254955754 534583024 /nfs/dbraw/zinc/58/30/24/534583024.db2.gz HCOICYKPUOUMBB-IAQYHMDHSA-N 1 2 348.834 2.139 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+](Cc2ncc(C#N)cn2)C2CC2)C1 ZINC000496152691 534859033 /nfs/dbraw/zinc/85/90/33/534859033.db2.gz QOUJHUDKSJXFGT-HNNXBMFYSA-N 1 2 343.431 2.322 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](Cc2ncc(C#N)cn2)C2CC2)C1 ZINC000496152691 534859035 /nfs/dbraw/zinc/85/90/35/534859035.db2.gz QOUJHUDKSJXFGT-HNNXBMFYSA-N 1 2 343.431 2.322 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1OC ZINC000292690062 526872203 /nfs/dbraw/zinc/87/22/03/526872203.db2.gz BHWCZHLPVOENQQ-HNNXBMFYSA-N 1 2 339.457 2.127 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1OC ZINC000292690062 526872206 /nfs/dbraw/zinc/87/22/06/526872206.db2.gz BHWCZHLPVOENQQ-HNNXBMFYSA-N 1 2 339.457 2.127 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000173783310 527113155 /nfs/dbraw/zinc/11/31/55/527113155.db2.gz NRQHDJNBWCHURH-KBPBESRZSA-N 1 2 349.406 2.068 20 30 EEEDLO CCO[C@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C ZINC000451547043 535632101 /nfs/dbraw/zinc/63/21/01/535632101.db2.gz SVZRUOBAUONATR-YOEHRIQHSA-N 1 2 336.457 2.079 20 30 EEEDLO CCO[C@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C ZINC000451547043 535632106 /nfs/dbraw/zinc/63/21/06/535632106.db2.gz SVZRUOBAUONATR-YOEHRIQHSA-N 1 2 336.457 2.079 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)[C@@H](OC2CCCC2)c2ccccc2)CC1 ZINC000726985294 576364212 /nfs/dbraw/zinc/36/42/12/576364212.db2.gz KPRKYOAEQUSXLD-IBGZPJMESA-N 1 2 326.440 2.464 20 30 EEEDLO C#CCOc1ccccc1CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000734219024 577283173 /nfs/dbraw/zinc/28/31/73/577283173.db2.gz YUOWTABKUDXNHW-QGZVFWFLSA-N 1 2 338.411 2.442 20 30 EEEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000773502799 577346922 /nfs/dbraw/zinc/34/69/22/577346922.db2.gz MOBQLUIEDRJWDO-AWEZNQCLSA-N 1 2 344.378 2.005 20 30 EEEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000773502799 577346924 /nfs/dbraw/zinc/34/69/24/577346924.db2.gz MOBQLUIEDRJWDO-AWEZNQCLSA-N 1 2 344.378 2.005 20 30 EEEDLO C[C@@H]1OCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H]1C ZINC000766963583 577527927 /nfs/dbraw/zinc/52/79/27/577527927.db2.gz WFVYUDFNJBQIHD-YDHLFZDLSA-N 1 2 336.395 2.333 20 30 EEEDLO C[C@@H]1OCC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H]1C ZINC000766963583 577527928 /nfs/dbraw/zinc/52/79/28/577527928.db2.gz WFVYUDFNJBQIHD-YDHLFZDLSA-N 1 2 336.395 2.333 20 30 EEEDLO N#C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCN1Cc1ccccc1 ZINC000770077383 577590148 /nfs/dbraw/zinc/59/01/48/577590148.db2.gz AUSDMLITKBCAFM-QGZVFWFLSA-N 1 2 345.406 2.184 20 30 EEEDLO N#Cc1cccc(OC2CC[NH+](Cn3cccc(C#N)c3=O)CC2)c1 ZINC000758220122 577618898 /nfs/dbraw/zinc/61/88/98/577618898.db2.gz MRGZSCONFBIVPB-UHFFFAOYSA-N 1 2 334.379 2.093 20 30 EEEDLO N#Cc1cccn(C[NH+]2CCC(OCc3ccccc3F)CC2)c1=O ZINC000758246949 577619969 /nfs/dbraw/zinc/61/99/69/577619969.db2.gz DAFUBCFEBYBJDZ-UHFFFAOYSA-N 1 2 341.386 2.498 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(C(F)(F)F)c2C)CC1 ZINC000760463723 577663279 /nfs/dbraw/zinc/66/32/79/577663279.db2.gz CVCNAOKTXOQHFV-UHFFFAOYSA-N 1 2 339.361 2.203 20 30 EEEDLO CC[C@@H]1C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C[C@H]1O ZINC000761128569 577677492 /nfs/dbraw/zinc/67/74/92/577677492.db2.gz WXHWQSJDGZZBJS-YRGRVCCFSA-N 1 2 329.425 2.175 20 30 EEEDLO CC[C@@H]1C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C[C@H]1O ZINC000761128569 577677493 /nfs/dbraw/zinc/67/74/93/577677493.db2.gz WXHWQSJDGZZBJS-YRGRVCCFSA-N 1 2 329.425 2.175 20 30 EEEDLO N#Cc1cccc([C@H]2CN(C(=O)c3cccc4[nH+]ccn43)CCO2)c1 ZINC000762313965 577699019 /nfs/dbraw/zinc/69/90/19/577699019.db2.gz XWUSAIRORJHWDK-QGZVFWFLSA-N 1 2 332.363 2.420 20 30 EEEDLO Cc1c(Br)cc(C#N)c(=O)n1Cc1cc[nH+]c(N(C)C)c1 ZINC000763505181 577722089 /nfs/dbraw/zinc/72/20/89/577722089.db2.gz HACZFYLWJNRUFQ-UHFFFAOYSA-N 1 2 347.216 2.300 20 30 EEEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC(=O)NCCC#N ZINC000752338496 577769312 /nfs/dbraw/zinc/76/93/12/577769312.db2.gz QPFSHIAWTBZIBU-INIZCTEOSA-N 1 2 325.416 2.223 20 30 EEEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC(=O)NCCC#N ZINC000752338496 577769313 /nfs/dbraw/zinc/76/93/13/577769313.db2.gz QPFSHIAWTBZIBU-INIZCTEOSA-N 1 2 325.416 2.223 20 30 EEEDLO Cc1cccn2c(C=NNc3nc4ccccc4c(=O)n3C)c[nH+]c12 ZINC000755605482 577827762 /nfs/dbraw/zinc/82/77/62/577827762.db2.gz ZUWQVNXZSBSDPM-UHFFFAOYSA-N 1 2 332.367 2.336 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1)OCC ZINC000755916060 577834160 /nfs/dbraw/zinc/83/41/60/577834160.db2.gz CLQWBVYCUZOKPL-CQSZACIVSA-N 1 2 339.505 2.383 20 30 EEEDLO CCc1ccc(CNC(=O)CO[NH+]=C(N)c2ccc(OC)cc2)s1 ZINC000742354138 577871612 /nfs/dbraw/zinc/87/16/12/577871612.db2.gz ATOCJVFXKNBNIL-UHFFFAOYSA-N 1 2 347.440 2.272 20 30 EEEDLO CCn1cc[nH+]c1CNc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000742386008 577872123 /nfs/dbraw/zinc/87/21/23/577872123.db2.gz XSBBPGSZVMGZOK-UHFFFAOYSA-N 1 2 325.416 2.348 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000745097506 577908927 /nfs/dbraw/zinc/90/89/27/577908927.db2.gz FDEMYLZAPWSXJB-CRAIPNDOSA-N 1 2 345.443 2.231 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000745097506 577908928 /nfs/dbraw/zinc/90/89/28/577908928.db2.gz FDEMYLZAPWSXJB-CRAIPNDOSA-N 1 2 345.443 2.231 20 30 EEEDLO CC(=NN1CC[NH+](C)CC1)c1cc(Br)c(F)cc1O ZINC000746558106 577930095 /nfs/dbraw/zinc/93/00/95/577930095.db2.gz QFTFHAIAPVKVCM-UHFFFAOYSA-N 1 2 330.201 2.265 20 30 EEEDLO NC(=[NH+]OCC(=O)N[C@H]1CCOc2ccccc21)c1ccc(F)cc1 ZINC000747826289 577950768 /nfs/dbraw/zinc/95/07/68/577950768.db2.gz GLKIOQZHGJWTGM-HNNXBMFYSA-N 1 2 343.358 2.103 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCCOc2ccc(C#N)cc2OC)cc1 ZINC000740872917 578108602 /nfs/dbraw/zinc/10/86/02/578108602.db2.gz RKMNQZXDPBOLMK-UHFFFAOYSA-N 1 2 341.367 2.291 20 30 EEEDLO N#CC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000826380962 609360210 /nfs/dbraw/zinc/36/02/10/609360210.db2.gz SDMCBDKYIDYTQZ-UHFFFAOYSA-N 1 2 347.220 2.365 20 30 EEEDLO C[C@@H](NC(=O)c1cccnc1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969210419 674705923 /nfs/dbraw/zinc/70/59/23/674705923.db2.gz RYVGSEWOKJKQEO-CYBMUJFWSA-N 1 2 338.386 2.343 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)CCCN(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001067715002 674957570 /nfs/dbraw/zinc/95/75/70/674957570.db2.gz CTRNIOJCXJASEL-UHFFFAOYSA-N 1 2 346.475 2.327 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccnn2CC2CCC2)C1 ZINC000969674891 675160776 /nfs/dbraw/zinc/16/07/76/675160776.db2.gz RMGCEJKZLLXBBV-CYBMUJFWSA-N 1 2 336.867 2.486 20 30 EEEDLO C[C@H](NC(=O)c1cc(Cl)no1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970776630 676144742 /nfs/dbraw/zinc/14/47/42/676144742.db2.gz HHNYWGIALPDBGY-NSHDSACASA-N 1 2 344.802 2.450 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3nccnc3c2)C1 ZINC000970851069 676198447 /nfs/dbraw/zinc/19/84/47/676198447.db2.gz JALNPZZGGUPPEN-GFCCVEGCSA-N 1 2 330.819 2.432 20 30 EEEDLO COC1CC(C(=O)N[C@@H](C)C2C[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC000969917385 675304802 /nfs/dbraw/zinc/30/48/02/675304802.db2.gz XUVBQWPJWYJWKI-MKQDKFQKSA-N 1 2 345.418 2.059 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC000969959669 675341712 /nfs/dbraw/zinc/34/17/12/675341712.db2.gz VJVLBANZEKOKAI-ZDUSSCGKSA-N 1 2 349.862 2.318 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ncoc2C(F)(F)F)C1 ZINC000969999902 675371563 /nfs/dbraw/zinc/37/15/63/675371563.db2.gz HDKNPCDSUFDVKA-MRVPVSSYSA-N 1 2 337.729 2.496 20 30 EEEDLO C[C@H](NC(=O)c1n[nH]c2c1CCC2)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970036059 675408711 /nfs/dbraw/zinc/40/87/11/675408711.db2.gz UWKGSCJNNUTFJU-ZDUSSCGKSA-N 1 2 349.438 2.020 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](Cc3cc4n(n3)CCC4)C2)cc1 ZINC000970257243 675750692 /nfs/dbraw/zinc/75/06/92/675750692.db2.gz VOYSJQFNIBCHQU-OAHLLOKOSA-N 1 2 348.450 2.061 20 30 EEEDLO CCc1nocc1C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970387825 675845115 /nfs/dbraw/zinc/84/51/15/675845115.db2.gz JAWOSNDCHDUDKY-ZDUSSCGKSA-N 1 2 338.411 2.359 20 30 EEEDLO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001067569009 676321587 /nfs/dbraw/zinc/32/15/87/676321587.db2.gz ZHWDHIALWGWHEW-MRXNPFEDSA-N 1 2 346.475 2.109 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2ccn(-c3ccccc3)n2)C1 ZINC000971210938 676443279 /nfs/dbraw/zinc/44/32/79/676443279.db2.gz LGKIRPAGEPRVOQ-QAPCUYQASA-N 1 2 337.427 2.065 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(-c3ccccc3)n2)C1 ZINC000971210938 676443280 /nfs/dbraw/zinc/44/32/80/676443280.db2.gz LGKIRPAGEPRVOQ-QAPCUYQASA-N 1 2 337.427 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nnn1CC ZINC001039383860 676540443 /nfs/dbraw/zinc/54/04/43/676540443.db2.gz QYJZLPSOIAIBEN-KGLIPLIRSA-N 1 2 337.855 2.038 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nnn1CC ZINC001039383860 676540444 /nfs/dbraw/zinc/54/04/44/676540444.db2.gz QYJZLPSOIAIBEN-KGLIPLIRSA-N 1 2 337.855 2.038 20 30 EEEDLO Cc1n[nH]c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3F)C2)c1C ZINC001021914060 676547803 /nfs/dbraw/zinc/54/78/03/676547803.db2.gz OLUFGBQXFKYTRH-GASCZTMLSA-N 1 2 341.390 2.088 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2nc(C)no2)C1 ZINC000971688677 676739170 /nfs/dbraw/zinc/73/91/70/676739170.db2.gz ZRAQPBKUGLQJGH-DZGCQCFKSA-N 1 2 343.431 2.273 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2nc(C)no2)C1 ZINC000971688677 676739171 /nfs/dbraw/zinc/73/91/71/676739171.db2.gz ZRAQPBKUGLQJGH-DZGCQCFKSA-N 1 2 343.431 2.273 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000971965523 677900781 /nfs/dbraw/zinc/90/07/81/677900781.db2.gz YDFCRQIMRHBBGU-LLVKDONJSA-N 1 2 330.201 2.209 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000971965523 677900783 /nfs/dbraw/zinc/90/07/83/677900783.db2.gz YDFCRQIMRHBBGU-LLVKDONJSA-N 1 2 330.201 2.209 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000971982856 677930525 /nfs/dbraw/zinc/93/05/25/677930525.db2.gz STAHVJXCPOSAQV-MJBXVCDLSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000971982856 677930528 /nfs/dbraw/zinc/93/05/28/677930528.db2.gz STAHVJXCPOSAQV-MJBXVCDLSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)Cc2noc3c2COCC3)C1 ZINC000972072892 678208504 /nfs/dbraw/zinc/20/85/04/678208504.db2.gz MMFNQLWGJHVIIP-CQSZACIVSA-N 1 2 347.459 2.382 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2noc3c2COCC3)C1 ZINC000972072892 678208505 /nfs/dbraw/zinc/20/85/05/678208505.db2.gz MMFNQLWGJHVIIP-CQSZACIVSA-N 1 2 347.459 2.382 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)C2)c1 ZINC001058540247 678307440 /nfs/dbraw/zinc/30/74/40/678307440.db2.gz XBJHHMQDTAYVHZ-KRWDZBQOSA-N 1 2 347.422 2.047 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2cccnc2C)C1 ZINC000972199338 678384520 /nfs/dbraw/zinc/38/45/20/678384520.db2.gz CFRBDXWDQHPAEG-ZDUSSCGKSA-N 1 2 338.249 2.445 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2cccnc2C)C1 ZINC000972199338 678384524 /nfs/dbraw/zinc/38/45/24/678384524.db2.gz CFRBDXWDQHPAEG-ZDUSSCGKSA-N 1 2 338.249 2.445 20 30 EEEDLO CO[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1)C(C)C ZINC000972243665 678447251 /nfs/dbraw/zinc/44/72/51/678447251.db2.gz XPOFFJMHKCIJNZ-ZWKOTPCHSA-N 1 2 347.434 2.401 20 30 EEEDLO CO[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1)C(C)C ZINC000972243665 678447252 /nfs/dbraw/zinc/44/72/52/678447252.db2.gz XPOFFJMHKCIJNZ-ZWKOTPCHSA-N 1 2 347.434 2.401 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@]2(C1)C[N@H+](C/C=C/c1ccccc1)CCO2 ZINC000972297864 678509968 /nfs/dbraw/zinc/50/99/68/678509968.db2.gz NKIGNFCUOJWAEK-KZJOSYIESA-N 1 2 339.439 2.163 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@]2(C1)C[N@@H+](C/C=C/c1ccccc1)CCO2 ZINC000972297864 678509972 /nfs/dbraw/zinc/50/99/72/678509972.db2.gz NKIGNFCUOJWAEK-KZJOSYIESA-N 1 2 339.439 2.163 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3sc(C4CC4)nc3C)C2)C1 ZINC000972377677 678627029 /nfs/dbraw/zinc/62/70/29/678627029.db2.gz LGQPNDFJNJPRHA-GOSISDBHSA-N 1 2 347.484 2.432 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3sc(C4CC4)nc3C)C2)C1 ZINC000972377677 678627034 /nfs/dbraw/zinc/62/70/34/678627034.db2.gz LGQPNDFJNJPRHA-GOSISDBHSA-N 1 2 347.484 2.432 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3sc(Cl)nc3C)C2)C1 ZINC000972396703 678679567 /nfs/dbraw/zinc/67/95/67/678679567.db2.gz BWNAICWSQIMNFE-HNNXBMFYSA-N 1 2 341.864 2.208 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3sc(Cl)nc3C)C2)C1 ZINC000972396703 678679571 /nfs/dbraw/zinc/67/95/71/678679571.db2.gz BWNAICWSQIMNFE-HNNXBMFYSA-N 1 2 341.864 2.208 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccccc3CC)C2)C1 ZINC000972432270 678731676 /nfs/dbraw/zinc/73/16/76/678731676.db2.gz ZKNBLEZUUJVFME-OAQYLSRUSA-N 1 2 340.467 2.118 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccccc3CC)C2)C1 ZINC000972432270 678731678 /nfs/dbraw/zinc/73/16/78/678731678.db2.gz ZKNBLEZUUJVFME-OAQYLSRUSA-N 1 2 340.467 2.118 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(C)cc3Cl)C2)C1 ZINC000972435530 678737504 /nfs/dbraw/zinc/73/75/04/678737504.db2.gz OJEOUZGVHAUVBG-LJQANCHMSA-N 1 2 346.858 2.127 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(C)cc3Cl)C2)C1 ZINC000972435530 678737507 /nfs/dbraw/zinc/73/75/07/678737507.db2.gz OJEOUZGVHAUVBG-LJQANCHMSA-N 1 2 346.858 2.127 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)c3c(C)n[nH]c3C)C2)C1 ZINC000972440693 678743677 /nfs/dbraw/zinc/74/36/77/678743677.db2.gz JNQVCULZNCEYBI-KUHUBIRLSA-N 1 2 346.475 2.009 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)c3c(C)n[nH]c3C)C2)C1 ZINC000972440693 678743679 /nfs/dbraw/zinc/74/36/79/678743679.db2.gz JNQVCULZNCEYBI-KUHUBIRLSA-N 1 2 346.475 2.009 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1cncc(C)c1)CCO2 ZINC000972496742 679074916 /nfs/dbraw/zinc/07/49/16/679074916.db2.gz JHYHFIAUWBXJJP-FQEVSTJZSA-N 1 2 343.471 2.406 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1cncc(C)c1)CCO2 ZINC000972496742 679074918 /nfs/dbraw/zinc/07/49/18/679074918.db2.gz JHYHFIAUWBXJJP-FQEVSTJZSA-N 1 2 343.471 2.406 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3coc(C(F)F)c3)C2)C1 ZINC000972519146 679144301 /nfs/dbraw/zinc/14/43/01/679144301.db2.gz REXKQITUUYEMAF-MRXNPFEDSA-N 1 2 326.343 2.320 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3coc(C(F)F)c3)C2)C1 ZINC000972519146 679144304 /nfs/dbraw/zinc/14/43/04/679144304.db2.gz REXKQITUUYEMAF-MRXNPFEDSA-N 1 2 326.343 2.320 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)C(C)C)C2)C1 ZINC000972570153 679323427 /nfs/dbraw/zinc/32/34/27/679323427.db2.gz TYEMYYKMVAEELX-CTNGQTDRSA-N 1 2 340.467 2.363 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](c3ccccc3)C(C)C)C2)C1 ZINC000972570153 679323428 /nfs/dbraw/zinc/32/34/28/679323428.db2.gz TYEMYYKMVAEELX-CTNGQTDRSA-N 1 2 340.467 2.363 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(OC)o2)C1 ZINC000972605326 679416381 /nfs/dbraw/zinc/41/63/81/679416381.db2.gz YWELLYPQFDEIBT-LLVKDONJSA-N 1 2 343.221 2.343 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(OC)o2)C1 ZINC000972605326 679416383 /nfs/dbraw/zinc/41/63/83/679416383.db2.gz YWELLYPQFDEIBT-LLVKDONJSA-N 1 2 343.221 2.343 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3ccc(C)s3)C2)C1 ZINC000972640246 679481140 /nfs/dbraw/zinc/48/11/40/679481140.db2.gz HRVXSVNEFGQPEF-MAUKXSAKSA-N 1 2 332.469 2.097 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3ccc(C)s3)C2)C1 ZINC000972640246 679481141 /nfs/dbraw/zinc/48/11/41/679481141.db2.gz HRVXSVNEFGQPEF-MAUKXSAKSA-N 1 2 332.469 2.097 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cscn3)C2)cn1 ZINC001023711413 679489156 /nfs/dbraw/zinc/48/91/56/679489156.db2.gz ZKAXTXAJVFQMJE-AWEZNQCLSA-N 1 2 340.452 2.161 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cscn3)C2)cn1 ZINC001023711413 679489159 /nfs/dbraw/zinc/48/91/59/679489159.db2.gz ZKAXTXAJVFQMJE-AWEZNQCLSA-N 1 2 340.452 2.161 20 30 EEEDLO CC1(C)C[N@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)c1cnsn1 ZINC000972832521 679816540 /nfs/dbraw/zinc/81/65/40/679816540.db2.gz JGTHLNNNNZXPEX-INIZCTEOSA-N 1 2 340.452 2.030 20 30 EEEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)c1cnsn1 ZINC000972832521 679816542 /nfs/dbraw/zinc/81/65/42/679816542.db2.gz JGTHLNNNNZXPEX-INIZCTEOSA-N 1 2 340.452 2.030 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2cocn2)ccc1F ZINC001024362547 679879481 /nfs/dbraw/zinc/87/94/81/679879481.db2.gz MFTXIPJCGZAPPO-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2cocn2)ccc1F ZINC001024362547 679879482 /nfs/dbraw/zinc/87/94/82/679879482.db2.gz MFTXIPJCGZAPPO-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccc(F)cn2)[nH]1 ZINC001024393995 679888582 /nfs/dbraw/zinc/88/85/82/679888582.db2.gz AUAXTQPBSJKGHM-INIZCTEOSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cn2)[nH]1 ZINC001024393995 679888583 /nfs/dbraw/zinc/88/85/83/679888583.db2.gz AUAXTQPBSJKGHM-INIZCTEOSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)C2=COCCC2)C1 ZINC001006894082 679913918 /nfs/dbraw/zinc/91/39/18/679913918.db2.gz YHXIJDJJQBQPSV-SFHVURJKSA-N 1 2 325.412 2.333 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)C2=COCCC2)C1 ZINC001006894082 679913925 /nfs/dbraw/zinc/91/39/25/679913925.db2.gz YHXIJDJJQBQPSV-SFHVURJKSA-N 1 2 325.412 2.333 20 30 EEEDLO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc2c(C)nn(C)c2s1 ZINC001024577424 681226135 /nfs/dbraw/zinc/22/61/35/681226135.db2.gz CHYNSXRRIBLMPI-ZDUSSCGKSA-N 1 2 330.457 2.161 20 30 EEEDLO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c(C)nn(C)c2s1 ZINC001024577424 681226140 /nfs/dbraw/zinc/22/61/40/681226140.db2.gz CHYNSXRRIBLMPI-ZDUSSCGKSA-N 1 2 330.457 2.161 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@@H+](Cc2nnc(C)s2)C1 ZINC001028593161 681249047 /nfs/dbraw/zinc/24/90/47/681249047.db2.gz GOVDVCLLFYLAFB-AWEZNQCLSA-N 1 2 345.472 2.086 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+](Cc2nnc(C)s2)C1 ZINC001028593161 681249051 /nfs/dbraw/zinc/24/90/51/681249051.db2.gz GOVDVCLLFYLAFB-AWEZNQCLSA-N 1 2 345.472 2.086 20 30 EEEDLO C=CCCn1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=C)Cl)nn1 ZINC001024698493 681358963 /nfs/dbraw/zinc/35/89/63/681358963.db2.gz JMGNWWZFBLNQIL-AWEZNQCLSA-N 1 2 337.855 2.191 20 30 EEEDLO C=CCCn1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=C)Cl)nn1 ZINC001024698493 681358969 /nfs/dbraw/zinc/35/89/69/681358969.db2.gz JMGNWWZFBLNQIL-AWEZNQCLSA-N 1 2 337.855 2.191 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnc2c(cnn2C)c1 ZINC001024730917 681391689 /nfs/dbraw/zinc/39/16/89/681391689.db2.gz ABSVRZKJBNBJPD-OAHLLOKOSA-N 1 2 347.850 2.305 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnc2c(cnn2C)c1 ZINC001024730917 681391693 /nfs/dbraw/zinc/39/16/93/681391693.db2.gz ABSVRZKJBNBJPD-OAHLLOKOSA-N 1 2 347.850 2.305 20 30 EEEDLO Cc1ccc(C#N)c(N2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)n1 ZINC001058593841 681445244 /nfs/dbraw/zinc/44/52/44/681445244.db2.gz BGAUDNDZNVSFJI-HNNXBMFYSA-N 1 2 346.394 2.147 20 30 EEEDLO C=CCOc1ccccc1C(=O)N[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001058596416 681491128 /nfs/dbraw/zinc/49/11/28/681491128.db2.gz DTROGSNWUBXOHM-OAHLLOKOSA-N 1 2 338.411 2.359 20 30 EEEDLO CC(C)Cc1noc(C[NH2+]C[C@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC001024959777 681641497 /nfs/dbraw/zinc/64/14/97/681641497.db2.gz INHIHOBKHXYKBQ-MRXNPFEDSA-N 1 2 344.459 2.152 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000983082537 681760780 /nfs/dbraw/zinc/76/07/80/681760780.db2.gz OUPWHVWNTJFBCM-ZDUSSCGKSA-N 1 2 340.427 2.353 20 30 EEEDLO C=C1CCC(C(=O)N(C)[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC000937260578 681994487 /nfs/dbraw/zinc/99/44/87/681994487.db2.gz XDCIKVSYPMSDEE-MRXNPFEDSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C(Cl)CN1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000983585894 682902313 /nfs/dbraw/zinc/90/23/13/682902313.db2.gz IKOVKZWTAOGDCB-UHFFFAOYSA-N 1 2 345.834 2.168 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ccon2)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000993091661 683909661 /nfs/dbraw/zinc/90/96/61/683909661.db2.gz KZQZYHUNDHZYOO-LRDDRELGSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ccon2)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000993091661 683909664 /nfs/dbraw/zinc/90/96/64/683909664.db2.gz KZQZYHUNDHZYOO-LRDDRELGSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cn[nH]c2)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000993119717 683951038 /nfs/dbraw/zinc/95/10/38/683951038.db2.gz VVFUSXKFZKIHGN-PXAZEXFGSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cn[nH]c2)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000993119717 683951039 /nfs/dbraw/zinc/95/10/39/683951039.db2.gz VVFUSXKFZKIHGN-PXAZEXFGSA-N 1 2 341.390 2.203 20 30 EEEDLO O=C1[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2O)CCCN1O ZINC000895156257 684142257 /nfs/dbraw/zinc/14/22/57/684142257.db2.gz BHXLYUWDBGANQX-JTQLQIEISA-N 1 2 349.612 2.278 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2nocc2C)CC1(C)C ZINC000974589507 685089384 /nfs/dbraw/zinc/08/93/84/685089384.db2.gz VXLKKCCSHBTHGO-PVAVHDDUSA-N 1 2 347.459 2.291 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2nocc2C)CC1(C)C ZINC000974589507 685089393 /nfs/dbraw/zinc/08/93/93/685089393.db2.gz VXLKKCCSHBTHGO-PVAVHDDUSA-N 1 2 347.459 2.291 20 30 EEEDLO C[N@@H+](Cc1nnc(C2CC2)s1)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029734141 686943336 /nfs/dbraw/zinc/94/33/36/686943336.db2.gz SEMKPWLTPWICPT-CQSZACIVSA-N 1 2 344.484 2.109 20 30 EEEDLO C[N@H+](Cc1nnc(C2CC2)s1)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029734141 686943340 /nfs/dbraw/zinc/94/33/40/686943340.db2.gz SEMKPWLTPWICPT-CQSZACIVSA-N 1 2 344.484 2.109 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc[nH]2)C1 ZINC001027296527 687285816 /nfs/dbraw/zinc/28/58/16/687285816.db2.gz KAXPMMQXMGKTMN-LBPRGKRZSA-N 1 2 326.238 2.460 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccc[nH]2)C1 ZINC001027296527 687285819 /nfs/dbraw/zinc/28/58/19/687285819.db2.gz KAXPMMQXMGKTMN-LBPRGKRZSA-N 1 2 326.238 2.460 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CCCO2)C1 ZINC001027314119 687389977 /nfs/dbraw/zinc/38/99/77/687389977.db2.gz QIVPSOXDWQTZQA-ZIAGYGMSSA-N 1 2 345.281 2.387 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CCCO2)C1 ZINC001027314119 687389981 /nfs/dbraw/zinc/38/99/81/687389981.db2.gz QIVPSOXDWQTZQA-ZIAGYGMSSA-N 1 2 345.281 2.387 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000985785216 687689654 /nfs/dbraw/zinc/68/96/54/687689654.db2.gz MEFAIMNCIIMNDK-UHFFFAOYSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[N@H+](C)C1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000985785216 687689660 /nfs/dbraw/zinc/68/96/60/687689660.db2.gz MEFAIMNCIIMNDK-UHFFFAOYSA-N 1 2 333.823 2.247 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)no1 ZINC001027736382 694227619 /nfs/dbraw/zinc/22/76/19/694227619.db2.gz ATUMXQATXIYIJP-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)no1 ZINC001027736382 694227627 /nfs/dbraw/zinc/22/76/27/694227627.db2.gz ATUMXQATXIYIJP-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO C[C@H]1C[C@H]([NH2+]Cc2nc(C3CCCC3)no2)CN1C(=O)C#CC1CC1 ZINC000988807711 691226868 /nfs/dbraw/zinc/22/68/68/691226868.db2.gz YQFCXYOBAUZAPM-BBRMVZONSA-N 1 2 342.443 2.220 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCN(c3cc[nH+]c(C)n3)C2)cc1 ZINC001059953877 691461883 /nfs/dbraw/zinc/46/18/83/691461883.db2.gz PAWZVBCRCIUQMP-QGZVFWFLSA-N 1 2 334.423 2.413 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)c2cncs2)s1 ZINC001027777216 694453128 /nfs/dbraw/zinc/45/31/28/694453128.db2.gz FYRKMVMAQOGSOO-LLVKDONJSA-N 1 2 332.454 2.471 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2cncs2)s1 ZINC001027777216 694453130 /nfs/dbraw/zinc/45/31/30/694453130.db2.gz FYRKMVMAQOGSOO-LLVKDONJSA-N 1 2 332.454 2.471 20 30 EEEDLO C#CC[N@@H+]1C[C@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)C(C)(C)C1 ZINC000977248481 692389969 /nfs/dbraw/zinc/38/99/69/692389969.db2.gz GBEBLEHYUWBIBT-JSGCOSHPSA-N 1 2 333.457 2.068 20 30 EEEDLO C#CC[N@H+]1C[C@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)C(C)(C)C1 ZINC000977248481 692389971 /nfs/dbraw/zinc/38/99/71/692389971.db2.gz GBEBLEHYUWBIBT-JSGCOSHPSA-N 1 2 333.457 2.068 20 30 EEEDLO Cc1cc(C[N@@H+]2CC[C@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@@H]23)no1 ZINC000990165766 692711061 /nfs/dbraw/zinc/71/10/61/692711061.db2.gz XZMHGUQZTMYZGJ-SJLPKXTDSA-N 1 2 339.399 2.110 20 30 EEEDLO Cc1cc(C[N@H+]2CC[C@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@@H]23)no1 ZINC000990165766 692711065 /nfs/dbraw/zinc/71/10/65/692711065.db2.gz XZMHGUQZTMYZGJ-SJLPKXTDSA-N 1 2 339.399 2.110 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@H+](Cc2cscn2)CC3)[nH]1 ZINC000990250712 692772813 /nfs/dbraw/zinc/77/28/13/692772813.db2.gz LAOMBOBWSYUMQG-WBVHZDCISA-N 1 2 341.440 2.270 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@@H+](Cc2cscn2)CC3)[nH]1 ZINC000990250712 692772816 /nfs/dbraw/zinc/77/28/16/692772816.db2.gz LAOMBOBWSYUMQG-WBVHZDCISA-N 1 2 341.440 2.270 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)o1 ZINC000990276524 692803642 /nfs/dbraw/zinc/80/36/42/692803642.db2.gz MKAFBFNRZKDCAR-QAPCUYQASA-N 1 2 339.399 2.110 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)o1 ZINC000990276524 692803650 /nfs/dbraw/zinc/80/36/50/692803650.db2.gz MKAFBFNRZKDCAR-QAPCUYQASA-N 1 2 339.399 2.110 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001060069985 693305427 /nfs/dbraw/zinc/30/54/27/693305427.db2.gz LLVDUNOGCJNTHJ-HUUCEWRRSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001060069985 693305430 /nfs/dbraw/zinc/30/54/30/693305430.db2.gz LLVDUNOGCJNTHJ-HUUCEWRRSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001060070304 693312147 /nfs/dbraw/zinc/31/21/47/693312147.db2.gz RKLQRQCXLIZAIT-HOTGVXAUSA-N 1 2 346.475 2.401 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2nc(C)c[nH]2)C1 ZINC001027611298 693512705 /nfs/dbraw/zinc/51/27/05/693512705.db2.gz SDFUAQDSHOOXMX-GFCCVEGCSA-N 1 2 341.253 2.163 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)c2nc(C)c[nH]2)C1 ZINC001027611298 693512709 /nfs/dbraw/zinc/51/27/09/693512709.db2.gz SDFUAQDSHOOXMX-GFCCVEGCSA-N 1 2 341.253 2.163 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001027633115 693682526 /nfs/dbraw/zinc/68/25/26/693682526.db2.gz SYNRXEDQFUUOEV-ZFWWWQNUSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001027633115 693682523 /nfs/dbraw/zinc/68/25/23/693682523.db2.gz SYNRXEDQFUUOEV-ZFWWWQNUSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000943410946 1192249698 /nfs/dbraw/zinc/24/96/98/1192249698.db2.gz OIQMEQQLQMDSRK-OAHLLOKOSA-N 1 2 346.475 2.360 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)C1CC[NH+](Cc2noc3c2COCC3)CC1 ZINC001752304987 1179643017 /nfs/dbraw/zinc/64/30/17/1179643017.db2.gz ZFCCUXVTBQDPDC-UHFFFAOYSA-N 1 2 347.459 2.382 20 30 EEEDLO C=C(C)CN1CC[C@]2(CCCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1=O ZINC001269175946 1184030728 /nfs/dbraw/zinc/03/07/28/1184030728.db2.gz QTVVQENTGMFFOI-LJQANCHMSA-N 1 2 344.459 2.150 20 30 EEEDLO CC1=CC[C@H](C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)CC1 ZINC001270635649 1185254971 /nfs/dbraw/zinc/25/49/71/1185254971.db2.gz NUUMTGIVCJGNLQ-KRWDZBQOSA-N 1 2 338.455 2.287 20 30 EEEDLO C[C@H]1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](Cc2cc(C#N)n(C)c2)C3)C1 ZINC001270687320 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/nfs/dbraw/zinc/79/95/10/1208799510.db2.gz CFRJUXQPBXXLPN-APWZRJJASA-N 1 2 348.450 2.170 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cccnc1OC ZINC000948955138 1209472802 /nfs/dbraw/zinc/47/28/02/1209472802.db2.gz SNNHUGPPTMKTSV-GOSISDBHSA-N 1 2 335.407 2.053 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cccnc1OC ZINC000948955138 1209472805 /nfs/dbraw/zinc/47/28/05/1209472805.db2.gz SNNHUGPPTMKTSV-GOSISDBHSA-N 1 2 335.407 2.053 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC12CCOCC2 ZINC000948989789 1209493005 /nfs/dbraw/zinc/49/30/05/1209493005.db2.gz NMTHSYRXYBKSNX-OALUTQOASA-N 1 2 338.451 2.152 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC12CCOCC2 ZINC000948989789 1209493007 /nfs/dbraw/zinc/49/30/07/1209493007.db2.gz NMTHSYRXYBKSNX-OALUTQOASA-N 1 2 338.451 2.152 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC2(CC1)C[N@H+](Cc1conc1C)CCO2 ZINC000949433465 1209684686 /nfs/dbraw/zinc/68/46/86/1209684686.db2.gz VHMWKAGIJVXJOI-UHFFFAOYSA-N 1 2 347.459 2.389 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC2(CC1)C[N@@H+](Cc1conc1C)CCO2 ZINC000949433465 1209684688 /nfs/dbraw/zinc/68/46/88/1209684688.db2.gz VHMWKAGIJVXJOI-UHFFFAOYSA-N 1 2 347.459 2.389 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)c3ccsc3)CC2)C1 ZINC000949469090 1209702371 /nfs/dbraw/zinc/70/23/71/1209702371.db2.gz QZZZQVLHXZINPI-OAHLLOKOSA-N 1 2 332.469 2.178 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)c3ccsc3)CC2)C1 ZINC000949469090 1209702370 /nfs/dbraw/zinc/70/23/70/1209702370.db2.gz QZZZQVLHXZINPI-OAHLLOKOSA-N 1 2 332.469 2.178 20 30 EEEDLO C#CCCCC(=O)N1C[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]2C1 ZINC001111294453 1209860623 /nfs/dbraw/zinc/86/06/23/1209860623.db2.gz AUCJIUONIVPERR-CALCHBBNSA-N 1 2 326.444 2.100 20 30 EEEDLO C[C@H]1CC[C@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000950023678 1209986290 /nfs/dbraw/zinc/98/62/90/1209986290.db2.gz VXCQJWJWZFBOTC-MAUKXSAKSA-N 1 2 327.428 2.160 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)c1 ZINC000950406760 1210193862 /nfs/dbraw/zinc/19/38/62/1210193862.db2.gz HPUNHXLZGNDJNG-UHFFFAOYSA-N 1 2 335.407 2.030 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CCc2ccccc2F)CC1 ZINC000950594105 1210294990 /nfs/dbraw/zinc/29/49/90/1210294990.db2.gz WXXDUHPVLKACJZ-AEFFLSMTSA-N 1 2 332.419 2.104 20 30 EEEDLO C=CCOc1ccccc1C(=O)N(CC)C1C[NH+]([C@H](C)COC)C1 ZINC000950645543 1210322559 /nfs/dbraw/zinc/32/25/59/1210322559.db2.gz QHJKAHYRKQISLR-OAHLLOKOSA-N 1 2 332.444 2.433 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC000950672607 1210341435 /nfs/dbraw/zinc/34/14/35/1210341435.db2.gz MAPUXIXBQOTSLP-UHFFFAOYSA-N 1 2 326.400 2.058 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001015461433 1225284879 /nfs/dbraw/zinc/28/48/79/1225284879.db2.gz YVDZSNXDSQUJDA-JSGCOSHPSA-N 1 2 333.819 2.055 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC001015461433 1225284883 /nfs/dbraw/zinc/28/48/83/1225284883.db2.gz YVDZSNXDSQUJDA-JSGCOSHPSA-N 1 2 333.819 2.055 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[NH+]([C@H]3CCN(C(=O)/C(C)=C/C)C3)CC2)C1 ZINC000956606325 1214127013 /nfs/dbraw/zinc/12/70/13/1214127013.db2.gz SBQIACSVYIXWBD-DNIVAWAASA-N 1 2 345.487 2.054 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C3CCC3)C2)CC1 ZINC000956606458 1214127212 /nfs/dbraw/zinc/12/72/12/1214127212.db2.gz SAVYFCRKDJRCNT-XLIONFOSSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CCCCC3)C2)CC1 ZINC001015659915 1225521027 /nfs/dbraw/zinc/52/10/27/1225521027.db2.gz NOEBXKRZGISRHO-SFHVURJKSA-N 1 2 347.503 2.372 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CCCCC3)C2)CC1 ZINC001015659915 1225521032 /nfs/dbraw/zinc/52/10/32/1225521032.db2.gz NOEBXKRZGISRHO-SFHVURJKSA-N 1 2 347.503 2.372 20 30 EEEDLO CCc1nocc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015666838 1225529366 /nfs/dbraw/zinc/52/93/66/1225529366.db2.gz AFBHWHCSFLGTSH-CQSZACIVSA-N 1 2 342.374 2.252 20 30 EEEDLO CCc1nocc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001015666838 1225529373 /nfs/dbraw/zinc/52/93/73/1225529373.db2.gz AFBHWHCSFLGTSH-CQSZACIVSA-N 1 2 342.374 2.252 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001015690071 1225554266 /nfs/dbraw/zinc/55/42/66/1225554266.db2.gz LSJJPYVEVNYMOI-IRXDYDNUSA-N 1 2 349.438 2.092 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001015690071 1225554269 /nfs/dbraw/zinc/55/42/69/1225554269.db2.gz LSJJPYVEVNYMOI-IRXDYDNUSA-N 1 2 349.438 2.092 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@](C)(NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000957199793 1214949986 /nfs/dbraw/zinc/94/99/86/1214949986.db2.gz YQMHIFOWXLHQEP-LJQANCHMSA-N 1 2 340.427 2.267 20 30 EEEDLO C#Cc1ccc(C(=O)N(CC)C2C[NH+](C[C@H]3CC(C)(C)CO3)C2)nc1 ZINC000957294949 1215029553 /nfs/dbraw/zinc/02/95/53/1215029553.db2.gz YPRHYPCYFAWAQE-QGZVFWFLSA-N 1 2 341.455 2.024 20 30 EEEDLO Cc1cc(NC[C@H]2C[C@H](NC(=O)CSCC#N)C2)nc(C(C)C)[nH+]1 ZINC001114756754 1215242229 /nfs/dbraw/zinc/24/22/29/1215242229.db2.gz 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CCc1nc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)c(C)o1 ZINC001015831122 1225720644 /nfs/dbraw/zinc/72/06/44/1225720644.db2.gz MGYBOZANUSYTDY-QGZVFWFLSA-N 1 2 337.423 2.401 20 30 EEEDLO CCc1nc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c(C)o1 ZINC001015831122 1225720647 /nfs/dbraw/zinc/72/06/47/1225720647.db2.gz MGYBOZANUSYTDY-QGZVFWFLSA-N 1 2 337.423 2.401 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N2CCC[C@H]([C@H]3CCCN3CC#N)C2)c[nH+]1 ZINC000963326989 1217521678 /nfs/dbraw/zinc/52/16/78/1217521678.db2.gz ZYYZYKOJJUXSCT-DLBZAZTESA-N 1 2 343.475 2.153 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)CCn1cc[nH+]c1 ZINC000963441972 1217632406 /nfs/dbraw/zinc/63/24/06/1217632406.db2.gz JWLXLWGOCWWACL-CVEARBPZSA-N 1 2 344.459 2.077 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CC1(F)F ZINC001007295306 1217633917 /nfs/dbraw/zinc/63/39/17/1217633917.db2.gz GCOFENXPPYNEPJ-HOTGVXAUSA-N 1 2 336.357 2.413 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CC1(F)F ZINC001007295306 1217633921 /nfs/dbraw/zinc/63/39/21/1217633921.db2.gz GCOFENXPPYNEPJ-HOTGVXAUSA-N 1 2 336.357 2.413 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2C2CC2)C1 ZINC001015931075 1225846205 /nfs/dbraw/zinc/84/62/05/1225846205.db2.gz GFQHVMYRBLEDJB-INIZCTEOSA-N 1 2 335.411 2.163 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2C2CC2)C1 ZINC001015931075 1225846210 /nfs/dbraw/zinc/84/62/10/1225846210.db2.gz GFQHVMYRBLEDJB-INIZCTEOSA-N 1 2 335.411 2.163 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ccon1 ZINC000965296289 1219012285 /nfs/dbraw/zinc/01/22/85/1219012285.db2.gz PTMHQJUDGFTYGZ-XHDPSFHLSA-N 1 2 330.413 2.248 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ccon1 ZINC000965296289 1219012288 /nfs/dbraw/zinc/01/22/88/1219012288.db2.gz PTMHQJUDGFTYGZ-XHDPSFHLSA-N 1 2 330.413 2.248 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cnn3c2CCCC3)C1 ZINC001015952638 1225879527 /nfs/dbraw/zinc/87/95/27/1225879527.db2.gz ZUUIKQCZCJYWIB-QGZVFWFLSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cnn3c2CCCC3)C1 ZINC001015952638 1225879535 /nfs/dbraw/zinc/87/95/35/1225879535.db2.gz ZUUIKQCZCJYWIB-QGZVFWFLSA-N 1 2 349.438 2.095 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@H]2C)nn1 ZINC000966044054 1219463611 /nfs/dbraw/zinc/46/36/11/1219463611.db2.gz FCSOLOZGFZMYPY-AUUYWEPGSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)CC[C@H]2C)nn1 ZINC000966044054 1219463615 /nfs/dbraw/zinc/46/36/15/1219463615.db2.gz FCSOLOZGFZMYPY-AUUYWEPGSA-N 1 2 349.438 2.297 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccnn2CC(F)F)C1 ZINC000966103450 1219517012 /nfs/dbraw/zinc/51/70/12/1219517012.db2.gz LTPGIDHAGQCFOR-PWSUYJOCSA-N 1 2 346.809 2.341 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccnn2CC(F)F)C1 ZINC000966103450 1219517016 /nfs/dbraw/zinc/51/70/16/1219517016.db2.gz LTPGIDHAGQCFOR-PWSUYJOCSA-N 1 2 346.809 2.341 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc3nccnc3c2)C1 ZINC000966785556 1220010895 /nfs/dbraw/zinc/01/08/95/1220010895.db2.gz KTRVULSYNFVYKX-NHYWBVRUSA-N 1 2 345.834 2.218 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc3nccnc3c2)C1 ZINC000966785556 1220010897 /nfs/dbraw/zinc/01/08/97/1220010897.db2.gz KTRVULSYNFVYKX-NHYWBVRUSA-N 1 2 345.834 2.218 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ncnc3[nH]ccc32)C1 ZINC000967255233 1220355876 /nfs/dbraw/zinc/35/58/76/1220355876.db2.gz IMFZWDYFAPIJHH-GXFFZTMASA-N 1 2 333.823 2.102 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ncnc3[nH]ccc32)C1 ZINC000967255233 1220355878 /nfs/dbraw/zinc/35/58/78/1220355878.db2.gz IMFZWDYFAPIJHH-GXFFZTMASA-N 1 2 333.823 2.102 20 30 EEEDLO C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3c(C)nn(C)c3s2)C1 ZINC000967520934 1220593506 /nfs/dbraw/zinc/59/35/06/1220593506.db2.gz DVXLJJIZZWNEMT-RISCZKNCSA-N 1 2 330.457 2.017 20 30 EEEDLO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3c(C)nn(C)c3s2)C1 ZINC000967520934 1220593508 /nfs/dbraw/zinc/59/35/08/1220593508.db2.gz DVXLJJIZZWNEMT-RISCZKNCSA-N 1 2 330.457 2.017 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc3n2CCCC3)C1 ZINC000967997515 1220974756 /nfs/dbraw/zinc/97/47/56/1220974756.db2.gz VGWPJOCPPROMQM-TZMCWYRMSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnc3n2CCCC3)C1 ZINC000967997515 1220974760 /nfs/dbraw/zinc/97/47/60/1220974760.db2.gz VGWPJOCPPROMQM-TZMCWYRMSA-N 1 2 336.867 2.412 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C2CCCC2)cc1C#N ZINC001037998958 1220982375 /nfs/dbraw/zinc/98/23/75/1220982375.db2.gz BHTUWZFKJXUSJH-KRWDZBQOSA-N 1 2 327.428 2.448 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C2CCCC2)cc1C#N ZINC001037998958 1220982378 /nfs/dbraw/zinc/98/23/78/1220982378.db2.gz BHTUWZFKJXUSJH-KRWDZBQOSA-N 1 2 327.428 2.448 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccnc(OC)n3)CC[C@@H]2C)C1 ZINC000968274130 1221169355 /nfs/dbraw/zinc/16/93/55/1221169355.db2.gz KJBIJPSLFHMVTA-GOEBONIOSA-N 1 2 344.459 2.168 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccnc(OC)n3)CC[C@@H]2C)C1 ZINC000968274130 1221169357 /nfs/dbraw/zinc/16/93/57/1221169357.db2.gz KJBIJPSLFHMVTA-GOEBONIOSA-N 1 2 344.459 2.168 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1ccncc1 ZINC001006570012 1221841021 /nfs/dbraw/zinc/84/10/21/1221841021.db2.gz GGZOKSWMQQIVDX-IBGZPJMESA-N 1 2 337.398 2.467 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)c1ccncc1 ZINC001006570012 1221841024 /nfs/dbraw/zinc/84/10/24/1221841024.db2.gz GGZOKSWMQQIVDX-IBGZPJMESA-N 1 2 337.398 2.467 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)C1=COCCC1 ZINC001006888304 1221999298 /nfs/dbraw/zinc/99/92/98/1221999298.db2.gz BYOIXYGYURKMNF-IBGZPJMESA-N 1 2 342.414 2.452 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)C1=COCCC1 ZINC001006888304 1221999302 /nfs/dbraw/zinc/99/93/02/1221999302.db2.gz BYOIXYGYURKMNF-IBGZPJMESA-N 1 2 342.414 2.452 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)[nH]1 ZINC001006940938 1222025284 /nfs/dbraw/zinc/02/52/84/1222025284.db2.gz TXSIYSGMYVFTNX-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)[nH]1 ZINC001006940938 1222025290 /nfs/dbraw/zinc/02/52/90/1222025290.db2.gz TXSIYSGMYVFTNX-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO COC1CC(C(=O)N[C@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001007557549 1222293005 /nfs/dbraw/zinc/29/30/05/1222293005.db2.gz VEVMJPBJLOPUFR-WIHSUSGWSA-N 1 2 345.418 2.203 20 30 EEEDLO COC1CC(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001007557549 1222293010 /nfs/dbraw/zinc/29/30/10/1222293010.db2.gz VEVMJPBJLOPUFR-WIHSUSGWSA-N 1 2 345.418 2.203 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2n[nH]c3c2CCC3)C1 ZINC001007746289 1222395961 /nfs/dbraw/zinc/39/59/61/1222395961.db2.gz NSNFDUWBJQHKES-MRXNPFEDSA-N 1 2 349.438 2.164 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2n[nH]c3c2CCC3)C1 ZINC001007746289 1222395965 /nfs/dbraw/zinc/39/59/65/1222395965.db2.gz NSNFDUWBJQHKES-MRXNPFEDSA-N 1 2 349.438 2.164 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncc3cc(C)cnc32)C1 ZINC001007951644 1222525340 /nfs/dbraw/zinc/52/53/40/1222525340.db2.gz KFWUEGUMHCSTNP-OAHLLOKOSA-N 1 2 347.850 2.073 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncc3cc(C)cnc32)C1 ZINC001007951644 1222525342 /nfs/dbraw/zinc/52/53/42/1222525342.db2.gz KFWUEGUMHCSTNP-OAHLLOKOSA-N 1 2 347.850 2.073 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)Cc3cnoc3)C2)c(F)c1 ZINC001008274384 1222728290 /nfs/dbraw/zinc/72/82/90/1222728290.db2.gz CPIJHGODCAHNNV-MRXNPFEDSA-N 1 2 342.374 2.009 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)Cc3cnoc3)C2)c(F)c1 ZINC001008274384 1222728292 /nfs/dbraw/zinc/72/82/92/1222728292.db2.gz CPIJHGODCAHNNV-MRXNPFEDSA-N 1 2 342.374 2.009 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008387396 1222802744 /nfs/dbraw/zinc/80/27/44/1222802744.db2.gz RMYJDPJBKRCSLY-QGZVFWFLSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008387396 1222802750 /nfs/dbraw/zinc/80/27/50/1222802750.db2.gz RMYJDPJBKRCSLY-QGZVFWFLSA-N 1 2 341.386 2.368 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001008573815 1222936661 /nfs/dbraw/zinc/93/66/61/1222936661.db2.gz GDPZVNSSPKXOHG-QBIMZIAESA-N 1 2 345.418 2.203 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001008573815 1222936664 /nfs/dbraw/zinc/93/66/64/1222936664.db2.gz GDPZVNSSPKXOHG-QBIMZIAESA-N 1 2 345.418 2.203 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)c(C)n1 ZINC001008903757 1223075350 /nfs/dbraw/zinc/07/53/50/1223075350.db2.gz BAIYWMDXTVLEFT-IBGZPJMESA-N 1 2 348.450 2.339 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)c(C)n1 ZINC001008903757 1223075352 /nfs/dbraw/zinc/07/53/52/1223075352.db2.gz BAIYWMDXTVLEFT-IBGZPJMESA-N 1 2 348.450 2.339 20 30 EEEDLO Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001010422140 1223713425 /nfs/dbraw/zinc/71/34/25/1223713425.db2.gz UWILFGUGSIMWNQ-LJQANCHMSA-N 1 2 337.398 2.385 20 30 EEEDLO Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001010422140 1223713428 /nfs/dbraw/zinc/71/34/28/1223713428.db2.gz UWILFGUGSIMWNQ-LJQANCHMSA-N 1 2 337.398 2.385 20 30 EEEDLO Cc1ccncc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010428039 1223715645 /nfs/dbraw/zinc/71/56/45/1223715645.db2.gz LUJQFDLTRLTNSG-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1ccncc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010428039 1223715649 /nfs/dbraw/zinc/71/56/49/1223715649.db2.gz LUJQFDLTRLTNSG-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO CCc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)co1 ZINC001010701238 1223857766 /nfs/dbraw/zinc/85/77/66/1223857766.db2.gz SLDGEPXYISBCOP-AWEZNQCLSA-N 1 2 342.374 2.252 20 30 EEEDLO CCc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)co1 ZINC001010701238 1223857771 /nfs/dbraw/zinc/85/77/71/1223857771.db2.gz SLDGEPXYISBCOP-AWEZNQCLSA-N 1 2 342.374 2.252 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(F)cn3)C2)s1 ZINC001010718191 1223868430 /nfs/dbraw/zinc/86/84/30/1223868430.db2.gz NHMQALGFSSYAKS-LBPRGKRZSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(F)cn3)C2)s1 ZINC001010718191 1223868432 /nfs/dbraw/zinc/86/84/32/1223868432.db2.gz NHMQALGFSSYAKS-LBPRGKRZSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)c3ccc(F)cn3)C2)c1 ZINC001010722218 1223870541 /nfs/dbraw/zinc/87/05/41/1223870541.db2.gz ZZFOVNNYGSDUKX-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)c3ccc(F)cn3)C2)c1 ZINC001010722218 1223870542 /nfs/dbraw/zinc/87/05/42/1223870542.db2.gz ZZFOVNNYGSDUKX-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3ccoc3)C2)c(F)c1 ZINC001010737970 1223880194 /nfs/dbraw/zinc/88/01/94/1223880194.db2.gz FTPOINLIPBJRIV-MRXNPFEDSA-N 1 2 327.359 2.224 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cc3ccoc3)C2)c(F)c1 ZINC001010737970 1223880195 /nfs/dbraw/zinc/88/01/95/1223880195.db2.gz FTPOINLIPBJRIV-MRXNPFEDSA-N 1 2 327.359 2.224 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCOCC3)C2)c(F)c1 ZINC001010804037 1223914249 /nfs/dbraw/zinc/91/42/49/1223914249.db2.gz BIUGZJGXAZQKIC-DOTOQJQBSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCCOCC3)C2)c(F)c1 ZINC001010804037 1223914254 /nfs/dbraw/zinc/91/42/54/1223914254.db2.gz BIUGZJGXAZQKIC-DOTOQJQBSA-N 1 2 345.418 2.205 20 30 EEEDLO CCc1noc(C)c1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016231014 1226232395 /nfs/dbraw/zinc/23/23/95/1226232395.db2.gz XGSBJQZSLVHURR-KRWDZBQOSA-N 1 2 337.423 2.401 20 30 EEEDLO CCc1noc(C)c1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016231014 1226232401 /nfs/dbraw/zinc/23/24/01/1226232401.db2.gz XGSBJQZSLVHURR-KRWDZBQOSA-N 1 2 337.423 2.401 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ncc3n2CCCC3)C1 ZINC001016297114 1226316001 /nfs/dbraw/zinc/31/60/01/1226316001.db2.gz KFCKZPDEVOBHBN-QGZVFWFLSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ncc3n2CCCC3)C1 ZINC001016297114 1226316007 /nfs/dbraw/zinc/31/60/07/1226316007.db2.gz KFCKZPDEVOBHBN-QGZVFWFLSA-N 1 2 349.438 2.095 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2COc3ccccc3O2)C1 ZINC001014583493 1226807750 /nfs/dbraw/zinc/80/77/50/1226807750.db2.gz GWXFGLMVBMSJBE-ZIAGYGMSSA-N 1 2 336.819 2.160 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2COc3ccccc3O2)C1 ZINC001014583493 1226807752 /nfs/dbraw/zinc/80/77/52/1226807752.db2.gz GWXFGLMVBMSJBE-ZIAGYGMSSA-N 1 2 336.819 2.160 20 30 EEEDLO CC(C)c1nsc(C[N@H+](C)C[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001017070797 1227091180 /nfs/dbraw/zinc/09/11/80/1227091180.db2.gz ILDCXQFKEDHVOQ-KBPBESRZSA-N 1 2 349.504 2.492 20 30 EEEDLO CC(C)c1nsc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001017070797 1227091182 /nfs/dbraw/zinc/09/11/82/1227091182.db2.gz ILDCXQFKEDHVOQ-KBPBESRZSA-N 1 2 349.504 2.492 20 30 EEEDLO Cc1cccnc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)[nH]1 ZINC001017487030 1227461428 /nfs/dbraw/zinc/46/14/28/1227461428.db2.gz CHBFZDBIQZXASQ-IYBDPMFKSA-N 1 2 335.411 2.079 20 30 EEEDLO Cc1cccnc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)[nH]1 ZINC001017487030 1227461431 /nfs/dbraw/zinc/46/14/31/1227461431.db2.gz CHBFZDBIQZXASQ-IYBDPMFKSA-N 1 2 335.411 2.079 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc([C@H]2CCCO2)n1 ZINC001017555151 1227516367 /nfs/dbraw/zinc/51/63/67/1227516367.db2.gz JOFLSLBSDWJQCC-IJEWVQPXSA-N 1 2 345.468 2.307 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc([C@H]2CCCO2)n1 ZINC001017555151 1227516373 /nfs/dbraw/zinc/51/63/73/1227516373.db2.gz JOFLSLBSDWJQCC-IJEWVQPXSA-N 1 2 345.468 2.307 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ccc(OC)cc2[nH]1 ZINC001017785889 1227732738 /nfs/dbraw/zinc/73/27/38/1227732738.db2.gz OZPWTZKZOJXXKX-IYBDPMFKSA-N 1 2 337.423 2.489 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ccc(OC)cc2[nH]1 ZINC001017785889 1227732744 /nfs/dbraw/zinc/73/27/44/1227732744.db2.gz OZPWTZKZOJXXKX-IYBDPMFKSA-N 1 2 337.423 2.489 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)cc1 ZINC001018877428 1228480505 /nfs/dbraw/zinc/48/05/05/1228480505.db2.gz BNUBPTPDTKGCOA-STQMWFEESA-N 1 2 329.297 2.149 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)cc1 ZINC001018877428 1228480512 /nfs/dbraw/zinc/48/05/12/1228480512.db2.gz BNUBPTPDTKGCOA-STQMWFEESA-N 1 2 329.297 2.149 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nc(CC)no3)C2)cc1 ZINC001019224931 1228893433 /nfs/dbraw/zinc/89/34/33/1228893433.db2.gz KJPKNNOVXYUKLT-CJNGLKHVSA-N 1 2 338.411 2.179 20 30 EEEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(c3nccn3C)CC2)cc1 ZINC000827891248 1248945081 /nfs/dbraw/zinc/94/50/81/1248945081.db2.gz FGXXTMCGCICKHY-OAHLLOKOSA-N 1 2 325.416 2.033 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2CCc2c(F)cccc2F)[nH]1 ZINC001038172406 1229675630 /nfs/dbraw/zinc/67/56/30/1229675630.db2.gz HOPJQIXPWNLMSN-CYBMUJFWSA-N 1 2 344.365 2.211 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CCc2c(F)cccc2F)[nH]1 ZINC001038172406 1229675632 /nfs/dbraw/zinc/67/56/32/1229675632.db2.gz HOPJQIXPWNLMSN-CYBMUJFWSA-N 1 2 344.365 2.211 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(C3CC3)on2)c1 ZINC001038577001 1229924553 /nfs/dbraw/zinc/92/45/53/1229924553.db2.gz ZEERNIRJSGLDFN-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(C3CC3)on2)c1 ZINC001038577001 1229924556 /nfs/dbraw/zinc/92/45/56/1229924556.db2.gz ZEERNIRJSGLDFN-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnc3n2CCCC3)c1 ZINC001038625551 1229943939 /nfs/dbraw/zinc/94/39/39/1229943939.db2.gz WSWUPTSKGKYTJA-KRWDZBQOSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnc3n2CCCC3)c1 ZINC001038625551 1229943942 /nfs/dbraw/zinc/94/39/42/1229943942.db2.gz WSWUPTSKGKYTJA-KRWDZBQOSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2coc(C3CC3)n2)cc1 ZINC001038785962 1230055508 /nfs/dbraw/zinc/05/55/08/1230055508.db2.gz JLNAAKJCERWGJY-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2coc(C3CC3)n2)cc1 ZINC001038785962 1230055513 /nfs/dbraw/zinc/05/55/13/1230055513.db2.gz JLNAAKJCERWGJY-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cncnc1 ZINC001039359155 1230551835 /nfs/dbraw/zinc/55/18/35/1230551835.db2.gz XFCGENKFXLNGEU-MOPGFXCFSA-N 1 2 347.422 2.227 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cncnc1 ZINC001039359155 1230551838 /nfs/dbraw/zinc/55/18/38/1230551838.db2.gz XFCGENKFXLNGEU-MOPGFXCFSA-N 1 2 347.422 2.227 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2ccnc2C1 ZINC001039396379 1230578795 /nfs/dbraw/zinc/57/87/95/1230578795.db2.gz NHOBPLOYCZERBR-OAGGEKHMSA-N 1 2 348.878 2.263 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2ccnc2C1 ZINC001039396379 1230578797 /nfs/dbraw/zinc/57/87/97/1230578797.db2.gz NHOBPLOYCZERBR-OAGGEKHMSA-N 1 2 348.878 2.263 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CN1c1cccc(F)c1C#N ZINC001039767655 1230791314 /nfs/dbraw/zinc/79/13/14/1230791314.db2.gz PKVYCPMJJACSJB-CHWSQXEVSA-N 1 2 341.390 2.137 20 30 EEEDLO CC1(Nc2ccc(C#N)nc2)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001067303921 1230853557 /nfs/dbraw/zinc/85/35/57/1230853557.db2.gz YVIVUFPATDVSFA-UHFFFAOYSA-N 1 2 338.415 2.102 20 30 EEEDLO CC1(Nc2ccc(C#N)nc2)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001067303921 1230853561 /nfs/dbraw/zinc/85/35/61/1230853561.db2.gz YVIVUFPATDVSFA-UHFFFAOYSA-N 1 2 338.415 2.102 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H]2CCCN(C)C2=O)C1 ZINC001039906165 1230900379 /nfs/dbraw/zinc/90/03/79/1230900379.db2.gz HKQYWZGTFBMFPU-IXDOHACOSA-N 1 2 345.487 2.029 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H]2CCCN(C)C2=O)C1 ZINC001039906165 1230900382 /nfs/dbraw/zinc/90/03/82/1230900382.db2.gz HKQYWZGTFBMFPU-IXDOHACOSA-N 1 2 345.487 2.029 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4nnc(C)o4)C3)C2)C1 ZINC001041653720 1231638921 /nfs/dbraw/zinc/63/89/21/1231638921.db2.gz VHZLOIHGFMTDAI-GOSISDBHSA-N 1 2 330.432 2.159 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(CC[N@H+](Cc4nnc(C)o4)C3)C2)C1 ZINC001041653720 1231638923 /nfs/dbraw/zinc/63/89/23/1231638923.db2.gz VHZLOIHGFMTDAI-GOSISDBHSA-N 1 2 330.432 2.159 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](Cc4nccs4)[C@@H]3C2)c[nH]1 ZINC001042020542 1231835722 /nfs/dbraw/zinc/83/57/22/1231835722.db2.gz WXNGCHNVBTYRCA-IUODEOHRSA-N 1 2 341.440 2.079 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nccs4)[C@@H]3C2)c[nH]1 ZINC001042020542 1231835725 /nfs/dbraw/zinc/83/57/25/1231835725.db2.gz WXNGCHNVBTYRCA-IUODEOHRSA-N 1 2 341.440 2.079 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nccn4C)[C@H]3C2)cc1 ZINC001042180011 1231939869 /nfs/dbraw/zinc/93/98/69/1231939869.db2.gz RMZSJGNHTRPZSM-MJGOQNOKSA-N 1 2 348.450 2.138 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](Cc4nccn4C)[C@H]3C2)cc1 ZINC001042180011 1231939870 /nfs/dbraw/zinc/93/98/70/1231939870.db2.gz RMZSJGNHTRPZSM-MJGOQNOKSA-N 1 2 348.450 2.138 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3nc(CC)no3)[C@@H]2C1 ZINC001042182824 1231941306 /nfs/dbraw/zinc/94/13/06/1231941306.db2.gz MTAMJKLMFQFTCS-UONOGXRCSA-N 1 2 332.448 2.267 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3nc(CC)no3)[C@@H]2C1 ZINC001042182824 1231941309 /nfs/dbraw/zinc/94/13/09/1231941309.db2.gz MTAMJKLMFQFTCS-UONOGXRCSA-N 1 2 332.448 2.267 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3coc(COC)n3)C[C@H]21 ZINC001042294447 1232010485 /nfs/dbraw/zinc/01/04/85/1232010485.db2.gz NMYGJPPBIXLGOI-TZMCWYRMSA-N 1 2 339.823 2.110 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3coc(COC)n3)C[C@H]21 ZINC001042294447 1232010487 /nfs/dbraw/zinc/01/04/87/1232010487.db2.gz NMYGJPPBIXLGOI-TZMCWYRMSA-N 1 2 339.823 2.110 20 30 EEEDLO C=C(Cl)CN1CC(N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001044131682 1232738717 /nfs/dbraw/zinc/73/87/17/1232738717.db2.gz RTAOZWGLJHDBRM-UHFFFAOYSA-N 1 2 330.819 2.381 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2nccs2)CC1 ZINC001045560449 1233817373 /nfs/dbraw/zinc/81/73/73/1233817373.db2.gz TYNZOENBBVFGHH-KGLIPLIRSA-N 1 2 335.473 2.205 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CCc3nc[nH]c3C2)CC1 ZINC001045617189 1233861554 /nfs/dbraw/zinc/86/15/54/1233861554.db2.gz QWUBMUNZPWMNJY-ZDUSSCGKSA-N 1 2 336.867 2.238 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CCc3[nH]cnc3C2)CC1 ZINC001045617189 1233861558 /nfs/dbraw/zinc/86/15/58/1233861558.db2.gz QWUBMUNZPWMNJY-ZDUSSCGKSA-N 1 2 336.867 2.238 20 30 EEEDLO N#Cc1c(F)cccc1N(CCCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001096048745 1234049970 /nfs/dbraw/zinc/04/99/70/1234049970.db2.gz GICQSWJIOKOBAL-UHFFFAOYSA-N 1 2 341.390 2.138 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000800384261 1234091722 /nfs/dbraw/zinc/09/17/22/1234091722.db2.gz VTXKZZYSFHPBNC-KBPBESRZSA-N 1 2 326.437 2.341 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000800384261 1234091726 /nfs/dbraw/zinc/09/17/26/1234091726.db2.gz VTXKZZYSFHPBNC-KBPBESRZSA-N 1 2 326.437 2.341 20 30 EEEDLO N#CCN1CC[C@]2(C1)CCCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001045947636 1234211246 /nfs/dbraw/zinc/21/12/46/1234211246.db2.gz OIJOFARBWWFLHY-IBGZPJMESA-N 1 2 337.427 2.405 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001046224914 1234571552 /nfs/dbraw/zinc/57/15/52/1234571552.db2.gz WGKMINSYXZNADD-YVEFUNNKSA-N 1 2 327.388 2.138 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001046224914 1234571555 /nfs/dbraw/zinc/57/15/55/1234571555.db2.gz WGKMINSYXZNADD-YVEFUNNKSA-N 1 2 327.388 2.138 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc3c2OCCO3)C1 ZINC001046364016 1234711227 /nfs/dbraw/zinc/71/12/27/1234711227.db2.gz HLIQWKLGFBKFTP-QGZVFWFLSA-N 1 2 336.819 2.405 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc3c2OCCO3)C1 ZINC001046364016 1234711231 /nfs/dbraw/zinc/71/12/31/1234711231.db2.gz HLIQWKLGFBKFTP-QGZVFWFLSA-N 1 2 336.819 2.405 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cn(CC(F)F)nc2C)C1 ZINC001046400416 1234756921 /nfs/dbraw/zinc/75/69/21/1234756921.db2.gz LSBTZNJGNIXYDN-OAHLLOKOSA-N 1 2 346.809 2.403 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cn(CC(F)F)nc2C)C1 ZINC001046400416 1234756926 /nfs/dbraw/zinc/75/69/26/1234756926.db2.gz LSBTZNJGNIXYDN-OAHLLOKOSA-N 1 2 346.809 2.403 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC001046403074 1234760046 /nfs/dbraw/zinc/76/00/46/1234760046.db2.gz NLQRAQWKXLVOCR-CYBMUJFWSA-N 1 2 348.756 2.442 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC001046403074 1234760049 /nfs/dbraw/zinc/76/00/49/1234760049.db2.gz NLQRAQWKXLVOCR-CYBMUJFWSA-N 1 2 348.756 2.442 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@]1(C)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046526653 1234906967 /nfs/dbraw/zinc/90/69/67/1234906967.db2.gz YVYLIICMHYQPAH-GOSISDBHSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046526653 1234906972 /nfs/dbraw/zinc/90/69/72/1234906972.db2.gz YVYLIICMHYQPAH-GOSISDBHSA-N 1 2 341.390 2.123 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3csc(C)n3)C2)c1 ZINC001046604157 1234986701 /nfs/dbraw/zinc/98/67/01/1234986701.db2.gz HECMMOCDLIGINH-SFHVURJKSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@]2(C)CC[N@H+](Cc3csc(C)n3)C2)c1 ZINC001046604157 1234986704 /nfs/dbraw/zinc/98/67/04/1234986704.db2.gz HECMMOCDLIGINH-SFHVURJKSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@@H+](Cc3nc(C)cs3)C2)c1 ZINC001046607832 1234990942 /nfs/dbraw/zinc/99/09/42/1234990942.db2.gz UHYQOKBMECCRJR-GOSISDBHSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@H+](Cc3nc(C)cs3)C2)c1 ZINC001046607832 1234990944 /nfs/dbraw/zinc/99/09/44/1234990944.db2.gz UHYQOKBMECCRJR-GOSISDBHSA-N 1 2 340.452 2.222 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC=C(Cl)Cl)C1 ZINC001046629619 1235013251 /nfs/dbraw/zinc/01/32/51/1235013251.db2.gz FTMZTCWEQJDYQH-TYNCELHUSA-N 1 2 333.259 2.477 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001046629619 1235013252 /nfs/dbraw/zinc/01/32/52/1235013252.db2.gz FTMZTCWEQJDYQH-TYNCELHUSA-N 1 2 333.259 2.477 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@]1(C)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046738915 1235132491 /nfs/dbraw/zinc/13/24/91/1235132491.db2.gz FQNRPCGNPCPPEF-IBGZPJMESA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@]1(C)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046738915 1235132492 /nfs/dbraw/zinc/13/24/92/1235132492.db2.gz FQNRPCGNPCPPEF-IBGZPJMESA-N 1 2 341.386 2.368 20 30 EEEDLO CC(=O)NC[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)CCC1(F)F ZINC001046901112 1235290537 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RDZGNGYSUJOXAD-MCIONIFRSA-N 1 2 341.883 2.013 20 30 EEEDLO CNS(=O)(=O)c1cccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)c1 ZINC000901458465 1235828660 /nfs/dbraw/zinc/82/86/60/1235828660.db2.gz GFCZTXVQIJMZSM-BQYQJAHWSA-N 1 2 333.413 2.268 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001096228072 1236360983 /nfs/dbraw/zinc/36/09/83/1236360983.db2.gz HCEXZEFOEJUUGD-FZKQIMNGSA-N 1 2 342.447 2.051 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(CC)c[nH]c1=O)C2 ZINC001096261886 1236793254 /nfs/dbraw/zinc/79/32/54/1236793254.db2.gz GJRLRKLXUUJOMM-SNPRPXQTSA-N 1 2 335.835 2.437 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(CC)c[nH]c1=O)C2 ZINC001096261886 1236793255 /nfs/dbraw/zinc/79/32/55/1236793255.db2.gz GJRLRKLXUUJOMM-SNPRPXQTSA-N 1 2 335.835 2.437 20 30 EEEDLO CCCCCC(=O)NCC[NH+]1CCN(c2nc(C)ccc2C#N)CC1 ZINC001096265775 1236863433 /nfs/dbraw/zinc/86/34/33/1236863433.db2.gz QCCGJPOEKYRAIE-UHFFFAOYSA-N 1 2 343.475 2.080 20 30 EEEDLO 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/nfs/dbraw/zinc/35/56/41/1304355641.db2.gz IQRJNYOTBPEPNE-YJBOKZPZSA-N 1 2 332.448 2.153 20 30 EEEDLO C=CCOC(=O)N1CC[NH+](Cc2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC001233295715 1304420741 /nfs/dbraw/zinc/42/07/41/1304420741.db2.gz LHJYVPAMRAVENC-UHFFFAOYSA-N 1 2 343.383 2.086 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(C#N)cc2O)[C@@H]2C[C@@H]21 ZINC001233383986 1304452144 /nfs/dbraw/zinc/45/21/44/1304452144.db2.gz COJBJEJMOAAULA-CABCVRRESA-N 1 2 329.400 2.457 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2O)[C@@H]2C[C@@H]21 ZINC001233383986 1304452150 /nfs/dbraw/zinc/45/21/50/1304452150.db2.gz COJBJEJMOAAULA-CABCVRRESA-N 1 2 329.400 2.457 20 30 EEEDLO C=CCOCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cccc(OC)n1 ZINC001233488512 1304479976 /nfs/dbraw/zinc/47/99/76/1304479976.db2.gz GHABTHFKWAQXEJ-QGZVFWFLSA-N 1 2 347.459 2.106 20 30 EEEDLO C=CCOCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cccc(OC)n1 ZINC001233488512 1304479981 /nfs/dbraw/zinc/47/99/81/1304479981.db2.gz GHABTHFKWAQXEJ-QGZVFWFLSA-N 1 2 347.459 2.106 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCn1cc(Cl)cn1 ZINC001233769802 1304585844 /nfs/dbraw/zinc/58/58/44/1304585844.db2.gz DRZZCZHKKNQEMK-INIZCTEOSA-N 1 2 336.867 2.263 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCn1cc(Cl)cn1 ZINC001233769802 1304585847 /nfs/dbraw/zinc/58/58/47/1304585847.db2.gz DRZZCZHKKNQEMK-INIZCTEOSA-N 1 2 336.867 2.263 20 30 EEEDLO CO[C@H](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001233827349 1304606243 /nfs/dbraw/zinc/60/62/43/1304606243.db2.gz IEEKBNPZUKEQJL-IEBWSBKVSA-N 1 2 328.456 2.386 20 30 EEEDLO CO[C@H](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001233827349 1304606248 /nfs/dbraw/zinc/60/62/48/1304606248.db2.gz IEEKBNPZUKEQJL-IEBWSBKVSA-N 1 2 328.456 2.386 20 30 EEEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC1CCCCC1 ZINC001233947437 1304652002 /nfs/dbraw/zinc/65/20/02/1304652002.db2.gz MDDNZRKODJNWSE-FUHWJXTLSA-N 1 2 347.503 2.160 20 30 EEEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC1CCCCC1 ZINC001233947437 1304652006 /nfs/dbraw/zinc/65/20/06/1304652006.db2.gz MDDNZRKODJNWSE-FUHWJXTLSA-N 1 2 347.503 2.160 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001233977202 1304665488 /nfs/dbraw/zinc/66/54/88/1304665488.db2.gz MEUDKAPOHSLOGP-VQIMIIECSA-N 1 2 345.418 2.057 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001233977202 1304665496 /nfs/dbraw/zinc/66/54/96/1304665496.db2.gz MEUDKAPOHSLOGP-VQIMIIECSA-N 1 2 345.418 2.057 20 30 EEEDLO CO[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C1CC1 ZINC001234051152 1304709714 /nfs/dbraw/zinc/70/97/14/1304709714.db2.gz TZNHAUNZTSMRBI-XJKSGUPXSA-N 1 2 333.457 2.077 20 30 EEEDLO CO[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C1CC1 ZINC001234051152 1304709719 /nfs/dbraw/zinc/70/97/19/1304709719.db2.gz TZNHAUNZTSMRBI-XJKSGUPXSA-N 1 2 333.457 2.077 20 30 EEEDLO C#CCOCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(Cl)s1 ZINC001234245836 1304820843 /nfs/dbraw/zinc/82/08/43/1304820843.db2.gz GIHANWMAQRJUSP-CYBMUJFWSA-N 1 2 340.876 2.474 20 30 EEEDLO C#CCOCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(Cl)s1 ZINC001234245836 1304820846 /nfs/dbraw/zinc/82/08/46/1304820846.db2.gz GIHANWMAQRJUSP-CYBMUJFWSA-N 1 2 340.876 2.474 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N[C@@H](C)CC ZINC001234554969 1304966648 /nfs/dbraw/zinc/96/66/48/1304966648.db2.gz ORTYETPAFABAGP-JSGCOSHPSA-N 1 2 343.899 2.213 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N[C@@H](C)CC ZINC001234554969 1304966652 /nfs/dbraw/zinc/96/66/52/1304966652.db2.gz ORTYETPAFABAGP-JSGCOSHPSA-N 1 2 343.899 2.213 20 30 EEEDLO COc1ccc(O)c(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 ZINC000798275128 1304968943 /nfs/dbraw/zinc/96/89/43/1304968943.db2.gz NSSVZIZVFOWXHS-UKRRQHHQSA-N 1 2 347.415 2.249 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC001234592448 1304979189 /nfs/dbraw/zinc/97/91/89/1304979189.db2.gz AGECYGAJSLQCQE-QGZVFWFLSA-N 1 2 335.492 2.134 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC001234592448 1304979193 /nfs/dbraw/zinc/97/91/93/1304979193.db2.gz AGECYGAJSLQCQE-QGZVFWFLSA-N 1 2 335.492 2.134 20 30 EEEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nccc4c3cccc4[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001234675887 1305005931 /nfs/dbraw/zinc/00/59/31/1305005931.db2.gz DOMBQJYORIIKRZ-VMMDLRTJSA-N 1 2 327.340 2.134 20 30 EEEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3nccc4c3cccc4[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001234675887 1305005939 /nfs/dbraw/zinc/00/59/39/1305005939.db2.gz DOMBQJYORIIKRZ-VMMDLRTJSA-N 1 2 327.340 2.134 20 30 EEEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2C[N@@H+](Cc2cc(F)cnc2Cl)C3)CCC1 ZINC001277991822 1305619642 /nfs/dbraw/zinc/61/96/42/1305619642.db2.gz RCLKQZKMKKIZIF-SJKOYZFVSA-N 1 2 348.809 2.258 20 30 EEEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2C[N@H+](Cc2cc(F)cnc2Cl)C3)CCC1 ZINC001277991822 1305619651 /nfs/dbraw/zinc/61/96/51/1305619651.db2.gz RCLKQZKMKKIZIF-SJKOYZFVSA-N 1 2 348.809 2.258 20 30 EEEDLO N#Cc1cc(C[NH+]2CCC(OCC(=O)NC3CC3)CC2)c(F)cc1F ZINC001237530327 1305969221 /nfs/dbraw/zinc/96/92/21/1305969221.db2.gz NWOWHGHYKRLJEJ-UHFFFAOYSA-N 1 2 349.381 2.096 20 30 EEEDLO CCCCCCCCCNC(=S)N1CC[NH2+]C[C@H]1C(=O)OCC ZINC001239418015 1309102823 /nfs/dbraw/zinc/10/28/23/1309102823.db2.gz ZPTSIYCEFMZHEG-HNNXBMFYSA-N 1 2 343.537 2.448 20 30 EEEDLO CCCCCCCCCNC(=S)N1CC[NH2+]C[C@H]1C(=O)OC ZINC001239443426 1309110105 /nfs/dbraw/zinc/11/01/05/1309110105.db2.gz IZJZWDXGXDXEKM-AWEZNQCLSA-N 1 2 329.510 2.058 20 30 EEEDLO N#Cc1cc(F)cc(-c2ccc(OCC[NH+]3CCOCC3)nc2)c1 ZINC001241660276 1309526594 /nfs/dbraw/zinc/52/65/94/1309526594.db2.gz KWDIRPOCUJPYNR-UHFFFAOYSA-N 1 2 327.359 2.470 20 30 EEEDLO C#CCCCCCC(=O)N(C)C[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001120460454 1309557522 /nfs/dbraw/zinc/55/75/22/1309557522.db2.gz MEZNMIPYZWSWAI-AWEZNQCLSA-N 1 2 346.479 2.089 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](C)CN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001120776389 1309743528 /nfs/dbraw/zinc/74/35/28/1309743528.db2.gz YWNBZRZAXOGVJV-GXTWGEPZSA-N 1 2 340.431 2.122 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](C)CN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001120776389 1309743533 /nfs/dbraw/zinc/74/35/33/1309743533.db2.gz YWNBZRZAXOGVJV-GXTWGEPZSA-N 1 2 340.431 2.122 20 30 EEEDLO N#Cc1nc(-c2cc(F)ccc2C[NH+]2CCOCC2)cc2nc[nH]c21 ZINC001243068331 1309757834 /nfs/dbraw/zinc/75/78/34/1309757834.db2.gz BUQPPWOOCHBTOE-UHFFFAOYSA-N 1 2 337.358 2.468 20 30 EEEDLO O=C(C#CC1CC1)NC1CC2(C1)CC([NH2+]CC(F)(F)C(F)F)C2 ZINC001121092095 1309912193 /nfs/dbraw/zinc/91/21/93/1309912193.db2.gz ZYFHGUYALBRWQZ-UHFFFAOYSA-N 1 2 332.341 2.317 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](C(=O)OCC)C1 ZINC001122440655 1310286725 /nfs/dbraw/zinc/28/67/25/1310286725.db2.gz HTSIYNFDASHNJH-GJZGRUSLSA-N 1 2 347.463 2.010 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@H](C(=O)OCC)C1 ZINC001122440655 1310286731 /nfs/dbraw/zinc/28/67/31/1310286731.db2.gz HTSIYNFDASHNJH-GJZGRUSLSA-N 1 2 347.463 2.010 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](Nc2ncnc3c2C[N@H+](C)CC3)[C@H]1C ZINC001123096751 1310470221 /nfs/dbraw/zinc/47/02/21/1310470221.db2.gz CSBHWAKMLLZWRM-ZBFHGGJFSA-N 1 2 343.475 2.222 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)[C@H]1C ZINC001123096751 1310470228 /nfs/dbraw/zinc/47/02/28/1310470228.db2.gz CSBHWAKMLLZWRM-ZBFHGGJFSA-N 1 2 343.475 2.222 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(C[C@H](C)SCC)n2CC2CC2)CC1 ZINC001123579198 1310626448 /nfs/dbraw/zinc/62/64/48/1310626448.db2.gz RTFYOJGGJSFWPX-HNNXBMFYSA-N 1 2 347.532 2.127 20 30 EEEDLO C=CCCNC(=S)Nc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001247649549 1310665222 /nfs/dbraw/zinc/66/52/22/1310665222.db2.gz VFUUQEOAIPCIHG-UHFFFAOYSA-N 1 2 335.473 2.260 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001123752263 1310691865 /nfs/dbraw/zinc/69/18/65/1310691865.db2.gz KQOVDNRNKKGENG-CVEARBPZSA-N 1 2 332.448 2.465 20 30 EEEDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 ZINC000829047940 1314485680 /nfs/dbraw/zinc/48/56/80/1314485680.db2.gz JCFJASKROWHILV-UHFFFAOYSA-N 1 2 325.334 2.499 20 30 EEEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cc(C#N)ccc2F)CC1 ZINC000829047940 1314485681 /nfs/dbraw/zinc/48/56/81/1314485681.db2.gz JCFJASKROWHILV-UHFFFAOYSA-N 1 2 325.334 2.499 20 30 EEEDLO CC(C)C#CC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000831498122 1314595585 /nfs/dbraw/zinc/59/55/85/1314595585.db2.gz MOWYYMXJJQGAEI-FUHWJXTLSA-N 1 2 334.847 2.487 20 30 EEEDLO CC(C)C#CC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000831498122 1314595589 /nfs/dbraw/zinc/59/55/89/1314595589.db2.gz MOWYYMXJJQGAEI-FUHWJXTLSA-N 1 2 334.847 2.487 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(F)cn2)CCCO1 ZINC001150085401 1316150121 /nfs/dbraw/zinc/15/01/21/1316150121.db2.gz NBFQVHAAPKJLSS-MRXNPFEDSA-N 1 2 335.423 2.140 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(F)cn2)CCCO1 ZINC001150085401 1316150128 /nfs/dbraw/zinc/15/01/28/1316150128.db2.gz NBFQVHAAPKJLSS-MRXNPFEDSA-N 1 2 335.423 2.140 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@H]2C[N@H+](Cc3nocc3C)CCCO2)C1 ZINC001150282127 1316224304 /nfs/dbraw/zinc/22/43/04/1316224304.db2.gz HWOJVEQUJWDZAC-HNNXBMFYSA-N 1 2 333.432 2.046 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@H]2C[N@@H+](Cc3nocc3C)CCCO2)C1 ZINC001150282127 1316224307 /nfs/dbraw/zinc/22/43/07/1316224307.db2.gz HWOJVEQUJWDZAC-HNNXBMFYSA-N 1 2 333.432 2.046 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2ccc(F)cc2)C1 ZINC001150663724 1316334881 /nfs/dbraw/zinc/33/48/81/1316334881.db2.gz NMHMJXVCQZRPMI-INIZCTEOSA-N 1 2 340.826 2.328 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2ccc(F)cc2)C1 ZINC001150663724 1316334882 /nfs/dbraw/zinc/33/48/82/1316334882.db2.gz NMHMJXVCQZRPMI-INIZCTEOSA-N 1 2 340.826 2.328 20 30 EEEDLO C=C[C@@H](C(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1)c1ccccc1 ZINC001152002864 1316619181 /nfs/dbraw/zinc/61/91/81/1316619181.db2.gz ACJQHTARDIOWFJ-DZGCQCFKSA-N 1 2 328.416 2.369 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H](C)[N@H+](CC)CC(=O)Nc1cc(C)no1 ZINC001153641948 1316856270 /nfs/dbraw/zinc/85/62/70/1316856270.db2.gz MKNLGHOIXKZQSH-CQSZACIVSA-N 1 2 336.436 2.104 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)Nc1cc(C)no1 ZINC001153641948 1316856271 /nfs/dbraw/zinc/85/62/71/1316856271.db2.gz MKNLGHOIXKZQSH-CQSZACIVSA-N 1 2 336.436 2.104 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccsn1 ZINC001153981320 1316930087 /nfs/dbraw/zinc/93/00/87/1316930087.db2.gz DUAASVFSIJSFJU-SNVBAGLBSA-N 1 2 332.267 2.492 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1ccsn1 ZINC001153981320 1316930088 /nfs/dbraw/zinc/93/00/88/1316930088.db2.gz DUAASVFSIJSFJU-SNVBAGLBSA-N 1 2 332.267 2.492 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1nc(C)oc1C ZINC001155325471 1317552699 /nfs/dbraw/zinc/55/26/99/1317552699.db2.gz BTTRIUGCSJGSAE-VMGRFDJRSA-N 1 2 335.448 2.209 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nc(C)oc1C ZINC001155325471 1317552704 /nfs/dbraw/zinc/55/27/04/1317552704.db2.gz BTTRIUGCSJGSAE-VMGRFDJRSA-N 1 2 335.448 2.209 20 30 EEEDLO C=C[C@](C)(O)C[N@@H+]1CCN(c2cccc(OC(F)(F)F)c2)C(=O)C1 ZINC001252558285 1317635948 /nfs/dbraw/zinc/63/59/48/1317635948.db2.gz SANKBCIDTCTBPV-HNNXBMFYSA-N 1 2 344.333 2.171 20 30 EEEDLO C=C[C@](C)(O)C[N@H+]1CCN(c2cccc(OC(F)(F)F)c2)C(=O)C1 ZINC001252558285 1317635955 /nfs/dbraw/zinc/63/59/55/1317635955.db2.gz SANKBCIDTCTBPV-HNNXBMFYSA-N 1 2 344.333 2.171 20 30 EEEDLO C=C[C@@](C)(O)C[N@@H+]1CCN(c2cccc(OC(F)(F)F)c2)C(=O)C1 ZINC001252558286 1317636239 /nfs/dbraw/zinc/63/62/39/1317636239.db2.gz SANKBCIDTCTBPV-OAHLLOKOSA-N 1 2 344.333 2.171 20 30 EEEDLO C=C[C@@](C)(O)C[N@H+]1CCN(c2cccc(OC(F)(F)F)c2)C(=O)C1 ZINC001252558286 1317636245 /nfs/dbraw/zinc/63/62/45/1317636245.db2.gz SANKBCIDTCTBPV-OAHLLOKOSA-N 1 2 344.333 2.171 20 30 EEEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1cccnn1 ZINC001155967751 1317807351 /nfs/dbraw/zinc/80/73/51/1317807351.db2.gz COKJUGCFMWUFDU-CYBMUJFWSA-N 1 2 341.390 2.128 20 30 EEEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1cccnn1 ZINC001155967751 1317807357 /nfs/dbraw/zinc/80/73/57/1317807357.db2.gz COKJUGCFMWUFDU-CYBMUJFWSA-N 1 2 341.390 2.128 20 30 EEEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1C[C@H](O)CCCCC ZINC001253528556 1317875272 /nfs/dbraw/zinc/87/52/72/1317875272.db2.gz NZDNAHLXYAVSCH-WBVHZDCISA-N 1 2 336.480 2.341 20 30 EEEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1C[C@H](O)CCCCC ZINC001253528556 1317875278 /nfs/dbraw/zinc/87/52/78/1317875278.db2.gz NZDNAHLXYAVSCH-WBVHZDCISA-N 1 2 336.480 2.341 20 30 EEEDLO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1NCc1cc[nH+]c(N)c1 ZINC001156760668 1318199317 /nfs/dbraw/zinc/19/93/17/1318199317.db2.gz MXYKCQHKRYEBRT-GFCCVEGCSA-N 1 2 340.387 2.015 20 30 EEEDLO C=CC[C@@H]([NH2+]C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1)C(=O)OC ZINC001254994535 1318248712 /nfs/dbraw/zinc/24/87/12/1318248712.db2.gz FVCOCYWDAFIOSA-XVLXNVKGSA-N 1 2 344.455 2.126 20 30 EEEDLO CCOC(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC001256038501 1318614622 /nfs/dbraw/zinc/61/46/22/1318614622.db2.gz QWOQPUQZCACBCG-OAHLLOKOSA-N 1 2 346.406 2.050 20 30 EEEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cnnn1CC ZINC001157850765 1318904605 /nfs/dbraw/zinc/90/46/05/1318904605.db2.gz SBDOWYGIJUPZOU-QGZVFWFLSA-N 1 2 345.491 2.305 20 30 EEEDLO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cnnn1CC ZINC001157850765 1318904610 /nfs/dbraw/zinc/90/46/10/1318904610.db2.gz SBDOWYGIJUPZOU-QGZVFWFLSA-N 1 2 345.491 2.305 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(CC)o1 ZINC001157876703 1318912676 /nfs/dbraw/zinc/91/26/76/1318912676.db2.gz WHQSFNSZJJHRGQ-BEFAXECRSA-N 1 2 349.475 2.377 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(CC)o1 ZINC001157876703 1318912677 /nfs/dbraw/zinc/91/26/77/1318912677.db2.gz WHQSFNSZJJHRGQ-BEFAXECRSA-N 1 2 349.475 2.377 20 30 EEEDLO C[N@@H+]1CCc2ccc(NS(=O)(=O)c3ccccc3C#N)cc2C1 ZINC001258290275 1319225346 /nfs/dbraw/zinc/22/53/46/1319225346.db2.gz NHVRUGUAPDWSNS-UHFFFAOYSA-N 1 2 327.409 2.347 20 30 EEEDLO C[N@H+]1CCc2ccc(NS(=O)(=O)c3ccccc3C#N)cc2C1 ZINC001258290275 1319225352 /nfs/dbraw/zinc/22/53/52/1319225352.db2.gz NHVRUGUAPDWSNS-UHFFFAOYSA-N 1 2 327.409 2.347 20 30 EEEDLO N#Cc1ccccc1S(=O)(=O)NCc1c[nH+]cn1CC1CCC1 ZINC001258323485 1319232583 /nfs/dbraw/zinc/23/25/83/1319232583.db2.gz RDKIYKZQULOOOC-UHFFFAOYSA-N 1 2 330.413 2.033 20 30 EEEDLO C=CCOCC(=O)NCCC1=CC[N@H+]([C@H](C)c2nnc(CC)o2)CC1 ZINC001159575715 1319897941 /nfs/dbraw/zinc/89/79/41/1319897941.db2.gz BDCHZUHDLKDCCA-CQSZACIVSA-N 1 2 348.447 2.034 20 30 EEEDLO C=CCOCC(=O)NCCC1=CC[N@@H+]([C@H](C)c2nnc(CC)o2)CC1 ZINC001159575715 1319897943 /nfs/dbraw/zinc/89/79/43/1319897943.db2.gz BDCHZUHDLKDCCA-CQSZACIVSA-N 1 2 348.447 2.034 20 30 EEEDLO C=CCCC1(C(=O)NCCC2=CC[N@H+](Cc3cnn(C)n3)CC2)CC1 ZINC001161116396 1320390750 /nfs/dbraw/zinc/39/07/50/1320390750.db2.gz HHKWHPKOYMLTOP-UHFFFAOYSA-N 1 2 343.475 2.200 20 30 EEEDLO C=CCCC1(C(=O)NCCC2=CC[N@@H+](Cc3cnn(C)n3)CC2)CC1 ZINC001161116396 1320390754 /nfs/dbraw/zinc/39/07/54/1320390754.db2.gz HHKWHPKOYMLTOP-UHFFFAOYSA-N 1 2 343.475 2.200 20 30 EEEDLO N#Cc1c(F)ccnc1N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001165690497 1321567028 /nfs/dbraw/zinc/56/70/28/1321567028.db2.gz KLJOUXLDECNQQP-CQSZACIVSA-N 1 2 341.390 2.352 20 30 EEEDLO N#Cc1ccc(C[N@H+]2Cc3nccn3C[C@@H](Cn3cccn3)C2)cc1 ZINC001203902251 1321985344 /nfs/dbraw/zinc/98/53/44/1321985344.db2.gz XSTGPESFOGOFNT-SFHVURJKSA-N 1 2 332.411 2.283 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2Cc3nccn3C[C@@H](Cn3cccn3)C2)cc1 ZINC001203902251 1321985349 /nfs/dbraw/zinc/98/53/49/1321985349.db2.gz XSTGPESFOGOFNT-SFHVURJKSA-N 1 2 332.411 2.283 20 30 EEEDLO CC(=O)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001205983914 1323362034 /nfs/dbraw/zinc/36/20/34/1323362034.db2.gz ONCCIBFKJFLWGX-MLGOLLRUSA-N 1 2 333.457 2.316 20 30 EEEDLO CC(=O)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001205983914 1323362044 /nfs/dbraw/zinc/36/20/44/1323362044.db2.gz ONCCIBFKJFLWGX-MLGOLLRUSA-N 1 2 333.457 2.316 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ncc(CC)o2)C[C@H]1C ZINC001206478901 1323506182 /nfs/dbraw/zinc/50/61/82/1323506182.db2.gz GPFCROFXEBZQDA-IIAWOOMASA-N 1 2 335.448 2.155 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(CC)o2)C[C@H]1C ZINC001206478901 1323506188 /nfs/dbraw/zinc/50/61/88/1323506188.db2.gz GPFCROFXEBZQDA-IIAWOOMASA-N 1 2 335.448 2.155 20 30 EEEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1ncc(C#N)cc1OC ZINC001206481878 1323507496 /nfs/dbraw/zinc/50/74/96/1323507496.db2.gz AAXXCTYGZDJWBU-UHFFFAOYSA-N 1 2 339.395 2.470 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc3n(n2)CCCC3)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001206952055 1323737671 /nfs/dbraw/zinc/73/76/71/1323737671.db2.gz WGRYLJWWHOFLDM-CRAIPNDOSA-N 1 2 342.487 2.205 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc3n(n2)CCCC3)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001206952055 1323737675 /nfs/dbraw/zinc/73/76/75/1323737675.db2.gz WGRYLJWWHOFLDM-CRAIPNDOSA-N 1 2 342.487 2.205 20 30 EEEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)CCC(C)C)C1 ZINC001266215592 1323785081 /nfs/dbraw/zinc/78/50/81/1323785081.db2.gz MKYAVCBVCNCKOD-ROUUACIJSA-N 1 2 349.519 2.167 20 30 EEEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)CCC(C)C)C1 ZINC001266215592 1323785085 /nfs/dbraw/zinc/78/50/85/1323785085.db2.gz MKYAVCBVCNCKOD-ROUUACIJSA-N 1 2 349.519 2.167 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2cc(C)on2)C[C@H]1C)OCC ZINC001207255205 1323916456 /nfs/dbraw/zinc/91/64/56/1323916456.db2.gz ICGGLWMBWGFTMO-KBRIMQKVSA-N 1 2 335.448 2.291 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)on2)C[C@H]1C)OCC ZINC001207255205 1323916457 /nfs/dbraw/zinc/91/64/57/1323916457.db2.gz ICGGLWMBWGFTMO-KBRIMQKVSA-N 1 2 335.448 2.291 20 30 EEEDLO N#Cc1ccc(C(=O)CN2CCCC3(C[NH+](Cc4cn[nH]c4)C3)C2)cc1 ZINC001280235730 1324124431 /nfs/dbraw/zinc/12/44/31/1324124431.db2.gz YMLXOXRKIZGHQA-UHFFFAOYSA-N 1 2 349.438 2.062 20 30 EEEDLO N#Cc1ccc(C(=O)C[N@@H+]2CCCC3(CN(Cc4cn[nH]c4)C3)C2)cc1 ZINC001280235730 1324124441 /nfs/dbraw/zinc/12/44/41/1324124441.db2.gz YMLXOXRKIZGHQA-UHFFFAOYSA-N 1 2 349.438 2.062 20 30 EEEDLO N#Cc1ccc(C(=O)C[N@H+]2CCCC3(CN(Cc4cn[nH]c4)C3)C2)cc1 ZINC001280235730 1324124446 /nfs/dbraw/zinc/12/44/46/1324124446.db2.gz YMLXOXRKIZGHQA-UHFFFAOYSA-N 1 2 349.438 2.062 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccns1 ZINC001316602927 1324179075 /nfs/dbraw/zinc/17/90/75/1324179075.db2.gz BUTYZBNQWZXDGF-KRWDZBQOSA-N 1 2 339.464 2.400 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccns1 ZINC001316602927 1324179081 /nfs/dbraw/zinc/17/90/81/1324179081.db2.gz BUTYZBNQWZXDGF-KRWDZBQOSA-N 1 2 339.464 2.400 20 30 EEEDLO CC(C)C#CC(=O)N1CCC[C@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001207995428 1324252955 /nfs/dbraw/zinc/25/29/55/1324252955.db2.gz HXKFLZBYNTVBPE-AWEZNQCLSA-N 1 2 332.448 2.107 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[N@H+](Cc2csnc2OC)C[C@H]1C ZINC001208374751 1324459744 /nfs/dbraw/zinc/45/97/44/1324459744.db2.gz VUILIBYTJSQVNS-UKRRQHHQSA-N 1 2 335.473 2.282 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2csnc2OC)C[C@H]1C ZINC001208374751 1324459747 /nfs/dbraw/zinc/45/97/47/1324459747.db2.gz VUILIBYTJSQVNS-UKRRQHHQSA-N 1 2 335.473 2.282 20 30 EEEDLO CCOC(=O)c1nc2c(o1)CC[N@H+](CCc1ccc(C#N)cc1)C2 ZINC001208928082 1324721843 /nfs/dbraw/zinc/72/18/43/1324721843.db2.gz SXRHPNUWMAXZGM-UHFFFAOYSA-N 1 2 325.368 2.324 20 30 EEEDLO CCOC(=O)c1nc2c(o1)CC[N@@H+](CCc1ccc(C#N)cc1)C2 ZINC001208928082 1324721844 /nfs/dbraw/zinc/72/18/44/1324721844.db2.gz SXRHPNUWMAXZGM-UHFFFAOYSA-N 1 2 325.368 2.324 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H]([NH2+][C@H](C)c2nc(COC)no2)C1 ZINC001209364578 1324911656 /nfs/dbraw/zinc/91/16/56/1324911656.db2.gz CXHUSFGGPAJFPS-KGLIPLIRSA-N 1 2 336.436 2.214 20 30 EEEDLO C=CCC1(C(=O)N2CCC[C@@H]([NH2+]Cc3nc(CC)no3)C2)CCC1 ZINC001209504579 1324950344 /nfs/dbraw/zinc/95/03/44/1324950344.db2.gz SUTMJGLDGOFGDM-CQSZACIVSA-N 1 2 332.448 2.459 20 30 EEEDLO C=CCC1(C(=O)N2CCC[C@@H]([NH2+]Cc3nc(COC)no3)C2)CCC1 ZINC001209503662 1324950622 /nfs/dbraw/zinc/95/06/22/1324950622.db2.gz LAIOZIQUQMEQHQ-CQSZACIVSA-N 1 2 348.447 2.043 20 30 EEEDLO CCOc1c(Br)cc(C)cc1CN1CC[NH2+]C[C@@H]1C#N ZINC001210121661 1325167356 /nfs/dbraw/zinc/16/73/56/1325167356.db2.gz MYBPVIMKVGEPGS-ZDUSSCGKSA-N 1 2 338.249 2.454 20 30 EEEDLO C[N@H+](CCNC(=O)CCc1ccncc1)Cc1cc(C#N)ccc1F ZINC001492315981 1331152616 /nfs/dbraw/zinc/15/26/16/1331152616.db2.gz HZTBURXJRDNCGA-UHFFFAOYSA-N 1 2 340.402 2.273 20 30 EEEDLO C[N@@H+](CCNC(=O)CCc1ccncc1)Cc1cc(C#N)ccc1F ZINC001492315981 1331152619 /nfs/dbraw/zinc/15/26/19/1331152619.db2.gz HZTBURXJRDNCGA-UHFFFAOYSA-N 1 2 340.402 2.273 20 30 EEEDLO Cc1cc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)ccc1-c1nn[nH]n1 ZINC001609400517 1351960933 /nfs/dbraw/zinc/96/09/33/1351960933.db2.gz STTROELTOJTSAY-UHFFFAOYSA-N 1 2 346.394 2.310 20 30 EEEDLO C#CC[C@@H](CCOC)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001336169299 1336493079 /nfs/dbraw/zinc/49/30/79/1336493079.db2.gz AXUSWVSBMIVFNX-INIZCTEOSA-N 1 2 326.400 2.100 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H](OC(C)C)C1 ZINC001339090525 1336957330 /nfs/dbraw/zinc/95/73/30/1336957330.db2.gz AYACYMMIIZXGTH-OAHLLOKOSA-N 1 2 344.463 2.182 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@@H](CC)C1 ZINC001339484956 1337013219 /nfs/dbraw/zinc/01/32/19/1337013219.db2.gz IWLNUMYDOGFYKA-CVEARBPZSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@@H](CC)C1 ZINC001339484956 1337013222 /nfs/dbraw/zinc/01/32/22/1337013222.db2.gz IWLNUMYDOGFYKA-CVEARBPZSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCN(c1nnc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC)C1CC1 ZINC001341323188 1337289190 /nfs/dbraw/zinc/28/91/90/1337289190.db2.gz ZWOOJJWVDFACCI-HZPDHXFCSA-N 1 2 331.464 2.379 20 30 EEEDLO C=CCN(c1nnc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC)C1CC1 ZINC001341323188 1337289192 /nfs/dbraw/zinc/28/91/92/1337289192.db2.gz ZWOOJJWVDFACCI-HZPDHXFCSA-N 1 2 331.464 2.379 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)cc3)n2CC2CC2)CC1 ZINC001345038432 1337420479 /nfs/dbraw/zinc/42/04/79/1337420479.db2.gz KKPUOPQUINBBPH-UHFFFAOYSA-N 1 2 335.455 2.419 20 30 EEEDLO CC1=C(C(=O)C=Cc2ncc(C[NH+](C)C)s2)[C@H](C)N2NN=NC2=N1 ZINC000848641252 1338734910 /nfs/dbraw/zinc/73/49/10/1338734910.db2.gz BDQNXXCORVBJNY-OMMCCPJFSA-N 1 2 345.432 2.007 20 30 EEEDLO COc1cc(C[NH2+]Cc2cccc(F)c2C#N)ccc1-c1nn[nH]n1 ZINC001579928661 1344432828 /nfs/dbraw/zinc/43/28/28/1344432828.db2.gz DHSSTFRBFCDMPH-UHFFFAOYSA-N 1 2 338.346 2.176 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC001660818185 1354544097 /nfs/dbraw/zinc/54/40/97/1354544097.db2.gz CATOSUSPFXSTKR-KSSFIOAISA-N 1 2 338.398 2.373 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001660818185 1354544100 /nfs/dbraw/zinc/54/41/00/1354544100.db2.gz CATOSUSPFXSTKR-KSSFIOAISA-N 1 2 338.398 2.373 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001388679804 1387638067 /nfs/dbraw/zinc/63/80/67/1387638067.db2.gz KVTLEQLUEUPKHM-GDLCADMTSA-N 1 2 343.324 2.443 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001388679804 1387638075 /nfs/dbraw/zinc/63/80/75/1387638075.db2.gz KVTLEQLUEUPKHM-GDLCADMTSA-N 1 2 343.324 2.443 20 30 EEEDLO N#Cc1cc(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)c[nH]1 ZINC000981002228 1367035955 /nfs/dbraw/zinc/03/59/55/1367035955.db2.gz ZQFSXJPIBSNBFK-UHFFFAOYSA-N 1 2 332.407 2.086 20 30 EEEDLO N#Cc1cc(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)c[nH]1 ZINC000981002228 1367035960 /nfs/dbraw/zinc/03/59/60/1367035960.db2.gz ZQFSXJPIBSNBFK-UHFFFAOYSA-N 1 2 332.407 2.086 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nsc(N(C)C)n1 ZINC001135229993 1368066147 /nfs/dbraw/zinc/06/61/47/1368066147.db2.gz HLOLIYLGUDOLDT-NWDGAFQWSA-N 1 2 339.509 2.189 20 30 EEEDLO C[N@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC001189420349 1368356796 /nfs/dbraw/zinc/35/67/96/1368356796.db2.gz UTHNLCGAMSWAQX-QGZVFWFLSA-N 1 2 344.430 2.325 20 30 EEEDLO C[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC001189420349 1368356798 /nfs/dbraw/zinc/35/67/98/1368356798.db2.gz UTHNLCGAMSWAQX-QGZVFWFLSA-N 1 2 344.430 2.325 20 30 EEEDLO CN(C)c1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)ccn1 ZINC000852342060 1369262267 /nfs/dbraw/zinc/26/22/67/1369262267.db2.gz DSCBNGXAINVZKI-UHFFFAOYSA-N 1 2 327.457 2.403 20 30 EEEDLO C[C@]1(c2ccc(F)cc2)CC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525070 1369345042 /nfs/dbraw/zinc/34/50/42/1369345042.db2.gz RTQURUXOFRDWEM-AUUYWEPGSA-N 1 2 343.402 2.425 20 30 EEEDLO C[C@]1(c2ccc(F)cc2)CC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525070 1369345048 /nfs/dbraw/zinc/34/50/48/1369345048.db2.gz RTQURUXOFRDWEM-AUUYWEPGSA-N 1 2 343.402 2.425 20 30 EEEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1=S ZINC000794638785 1369584197 /nfs/dbraw/zinc/58/41/97/1369584197.db2.gz HLKOYDOCVFTAKX-ZIAGYGMSSA-N 1 2 335.477 2.113 20 30 EEEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1=S ZINC000794638785 1369584200 /nfs/dbraw/zinc/58/42/00/1369584200.db2.gz HLKOYDOCVFTAKX-ZIAGYGMSSA-N 1 2 335.477 2.113 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)c2cocn2)C[N@@H+]1Cc1cc(C#N)ccc1F 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EEEDLO Cc1ocnc1C(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001399990532 1395777756 /nfs/dbraw/zinc/77/77/56/1395777756.db2.gz AZVXVFRTALXELB-UHFFFAOYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ocnc1C(=O)NCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001399990532 1395777767 /nfs/dbraw/zinc/77/77/67/1395777767.db2.gz AZVXVFRTALXELB-UHFFFAOYSA-N 1 2 342.374 2.388 20 30 EEEDLO C#CCCCC(=O)N[C@H](C)C[N@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC001754307809 1406884692 /nfs/dbraw/zinc/88/46/92/1406884692.db2.gz JQWUCAJEHZZMFN-CQSZACIVSA-N 1 2 333.407 2.004 20 30 EEEDLO C#CCCCC(=O)N[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC001754307809 1406884694 /nfs/dbraw/zinc/88/46/94/1406884694.db2.gz JQWUCAJEHZZMFN-CQSZACIVSA-N 1 2 333.407 2.004 20 30 EEEDLO C=CCOCC[NH+]1CC(N(C)C(=O)Cc2cn(C)c3ccccc23)C1 ZINC001754581514 1406930083 /nfs/dbraw/zinc/93/00/83/1406930083.db2.gz FBHJLOMOZFMDQF-UHFFFAOYSA-N 1 2 341.455 2.066 20 30 EEEDLO C=CCC1(C(=O)N(C)C2C[NH+](C[C@H]3CC[C@H](C)O3)C2)CCOCC1 ZINC001754586742 1406934140 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336.439 2.476 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1C ZINC001032447731 789779144 /nfs/dbraw/zinc/77/91/44/789779144.db2.gz WFVCWIMQMJUGTN-ROUUACIJSA-N 1 2 336.439 2.476 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1O ZINC001091149236 789889301 /nfs/dbraw/zinc/88/93/01/789889301.db2.gz OACOWSCDPLWSAM-CABCVRRESA-N 1 2 346.475 2.176 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001079041710 789892438 /nfs/dbraw/zinc/89/24/38/789892438.db2.gz QGVDVUASICPNIG-IRXDYDNUSA-N 1 2 346.475 2.325 20 30 EEEDLO C[C@H](Cc1cccc(C#N)c1)N1CC([C@H]([NH3+])C(=O)OC(C)(C)C)C1 ZINC001171201952 789979922 /nfs/dbraw/zinc/97/99/22/789979922.db2.gz ULGUEQLFHJJKNZ-DYVFJYSZSA-N 1 2 329.444 2.090 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060330512 790137358 /nfs/dbraw/zinc/13/73/58/790137358.db2.gz DYLZKTIITAXFQZ-KXBFYZLASA-N 1 2 346.475 2.218 20 30 EEEDLO C#CCCCC(=O)NC1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCC1 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SJGUXHSYMJMDOH-UHFFFAOYSA-N 1 2 332.448 2.269 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1nc(CC)no1)C2 ZINC001147652760 791902714 /nfs/dbraw/zinc/90/27/14/791902714.db2.gz SJGUXHSYMJMDOH-UHFFFAOYSA-N 1 2 332.448 2.269 20 30 EEEDLO C=CCCCC(=O)N1C[C@@H](CNc2cc[nH+]c(C)n2)[C@H](OCC)C1 ZINC001091671956 792114667 /nfs/dbraw/zinc/11/46/67/792114667.db2.gz ZNWPASSCJLEMBM-HZPDHXFCSA-N 1 2 332.448 2.417 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001109882135 806124478 /nfs/dbraw/zinc/12/44/78/806124478.db2.gz PXARLMLGJVAEAE-SFHVURJKSA-N 1 2 334.423 2.316 20 30 EEEDLO C#CCCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(C)s1)C2 ZINC001148059615 792126221 /nfs/dbraw/zinc/12/62/21/792126221.db2.gz FMYCDGBPYUWMHL-UHFFFAOYSA-N 1 2 346.500 2.465 20 30 EEEDLO C#CCCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nnc(C)s1)C2 ZINC001148059615 792126226 /nfs/dbraw/zinc/12/62/26/792126226.db2.gz FMYCDGBPYUWMHL-UHFFFAOYSA-N 1 2 346.500 2.465 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nc(CC)no1)C2 ZINC001148095415 792145463 /nfs/dbraw/zinc/14/54/63/792145463.db2.gz HVJLUMLFNWZRHJ-KBPBESRZSA-N 1 2 332.448 2.125 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nc(CC)no1)C2 ZINC001148095415 792145469 /nfs/dbraw/zinc/14/54/69/792145469.db2.gz HVJLUMLFNWZRHJ-KBPBESRZSA-N 1 2 332.448 2.125 20 30 EEEDLO Cc1nnc(C[NH+]2CCC3(CCN(C(=O)C#CC4CC4)C3)CC2)s1 ZINC001040696525 792150190 /nfs/dbraw/zinc/15/01/90/792150190.db2.gz BXPGVZQPDSAMQW-UHFFFAOYSA-N 1 2 344.484 2.074 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4c[nH]nc43)C[C@]2(C)C1 ZINC001091674433 792170095 /nfs/dbraw/zinc/17/00/95/792170095.db2.gz QQZONKSIKAHQBU-VKJFTORMSA-N 1 2 348.878 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4c[nH]nc43)C[C@]2(C)C1 ZINC001091674433 792170098 /nfs/dbraw/zinc/17/00/98/792170098.db2.gz QQZONKSIKAHQBU-VKJFTORMSA-N 1 2 348.878 2.362 20 30 EEEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2nc(CC)no2)C3)CCC1 ZINC001148248670 792277526 /nfs/dbraw/zinc/27/75/26/792277526.db2.gz CNCIPNCVONYSBL-UHFFFAOYSA-N 1 2 344.459 2.413 20 30 EEEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2nc(CC)no2)C3)CCC1 ZINC001148248670 792277533 /nfs/dbraw/zinc/27/75/33/792277533.db2.gz CNCIPNCVONYSBL-UHFFFAOYSA-N 1 2 344.459 2.413 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001064099962 792394560 /nfs/dbraw/zinc/39/45/60/792394560.db2.gz USXVFYPBKFRYJN-CJNGLKHVSA-N 1 2 341.390 2.291 20 30 EEEDLO Cc1nc(N2CC[C@H](c3ccccc3)[C@H](NC(=O)[C@H](C)C#N)C2)cc[nH+]1 ZINC001091722441 792413960 /nfs/dbraw/zinc/41/39/60/792413960.db2.gz BPEZUPZPKIINRZ-ZTFGCOKTSA-N 1 2 349.438 2.423 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001107985421 792710926 /nfs/dbraw/zinc/71/09/26/792710926.db2.gz KKAXFMRRQCLFPH-UYAOXDASSA-N 1 2 344.455 2.118 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCc3cc(OC)ccc32)C1 ZINC001107985421 792710932 /nfs/dbraw/zinc/71/09/32/792710932.db2.gz KKAXFMRRQCLFPH-UYAOXDASSA-N 1 2 344.455 2.118 20 30 EEEDLO Cc1conc1C[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001089150467 792796119 /nfs/dbraw/zinc/79/61/19/792796119.db2.gz JDTPAMSZJJNOKR-HNNXBMFYSA-N 1 2 341.415 2.310 20 30 EEEDLO Cc1conc1C[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001089150467 792796124 /nfs/dbraw/zinc/79/61/24/792796124.db2.gz JDTPAMSZJJNOKR-HNNXBMFYSA-N 1 2 341.415 2.310 20 30 EEEDLO Cc1nc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)C#N)c(C)c(C)[nH+]1 ZINC001064465983 793177037 /nfs/dbraw/zinc/17/70/37/793177037.db2.gz WIWWXLUOANOHPF-XZJROXQQSA-N 1 2 327.432 2.131 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001110124323 793299293 /nfs/dbraw/zinc/29/92/93/793299293.db2.gz KFFPJASABRXHBD-SFHVURJKSA-N 1 2 344.459 2.052 20 30 EEEDLO Cc1ncc(C(=O)N2CCC[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)[nH]1 ZINC000998745529 793336867 /nfs/dbraw/zinc/33/68/67/793336867.db2.gz MDSPNNNAQZCRGB-MRXNPFEDSA-N 1 2 341.390 2.123 20 30 EEEDLO C=CCOCC(=O)NCC1CC(Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001092194891 793659112 /nfs/dbraw/zinc/65/91/12/793659112.db2.gz VUVPYWBIYNSVCC-UHFFFAOYSA-N 1 2 344.459 2.173 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc(C3CC3)c1)c1nccn12 ZINC001092379343 793874021 /nfs/dbraw/zinc/87/40/21/793874021.db2.gz FDMGXEDNWUFMNZ-QGZVFWFLSA-N 1 2 349.438 2.227 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[C@@H]3C[C@@H]3CC1)c1nccn12 ZINC001092383615 793878191 /nfs/dbraw/zinc/87/81/91/793878191.db2.gz JQRZXLRLUSBQFH-YYIAUSFCSA-N 1 2 340.471 2.467 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)c1ccccc1)c1nccn12 ZINC001092407830 793955468 /nfs/dbraw/zinc/95/54/68/793955468.db2.gz USROQQAEGUHFCR-WMZOPIPTSA-N 1 2 348.450 2.282 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(F)cccc1F)c1nccn12 ZINC001092409974 793959641 /nfs/dbraw/zinc/95/96/41/793959641.db2.gz FPLIJCZKVOJXOX-AWEZNQCLSA-N 1 2 344.365 2.233 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](CNc1[nH+]cnc2c1cnn2C)C1CC1 ZINC001109956792 806291768 /nfs/dbraw/zinc/29/17/68/806291768.db2.gz DHLAQJVXWLXQHM-AWEZNQCLSA-N 1 2 342.447 2.272 20 30 EEEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C(CC)(CC)CC)CC2 ZINC001128060414 794121584 /nfs/dbraw/zinc/12/15/84/794121584.db2.gz YVNYGKSEASXBJP-OAHLLOKOSA-N 1 2 345.491 2.038 20 30 EEEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)CCCCCC)CC2 ZINC001128067047 794127774 /nfs/dbraw/zinc/12/77/74/794127774.db2.gz VRIOSBZNNKSTGQ-INIZCTEOSA-N 1 2 345.491 2.183 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)[C@H](CCNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001092609463 794142041 /nfs/dbraw/zinc/14/20/41/794142041.db2.gz XIXAJMZMTFWPHN-UKRRQHHQSA-N 1 2 346.479 2.109 20 30 EEEDLO C=CCCOCC(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001092616032 794184943 /nfs/dbraw/zinc/18/49/43/794184943.db2.gz VUJJPYOIEVDTHY-GDBMZVCRSA-N 1 2 332.448 2.274 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC001079562980 794976198 /nfs/dbraw/zinc/97/61/98/794976198.db2.gz MVBCZQXUIKAXLA-KWCYVHTRSA-N 1 2 340.265 2.394 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC001079562980 794976204 /nfs/dbraw/zinc/97/62/04/794976204.db2.gz MVBCZQXUIKAXLA-KWCYVHTRSA-N 1 2 340.265 2.394 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)c1ccn(C)c1 ZINC001079567491 794981580 /nfs/dbraw/zinc/98/15/80/794981580.db2.gz KURYYRBGKKNIPT-FZKQIMNGSA-N 1 2 340.402 2.286 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)c1ccn(C)c1 ZINC001079567491 794981584 /nfs/dbraw/zinc/98/15/84/794981584.db2.gz KURYYRBGKKNIPT-FZKQIMNGSA-N 1 2 340.402 2.286 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1C1CCCCC1 ZINC001032725487 795261090 /nfs/dbraw/zinc/26/10/90/795261090.db2.gz MNGYSYOLXXMZNT-HOTGVXAUSA-N 1 2 326.444 2.379 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1C1CCCCC1 ZINC001032725487 795261096 /nfs/dbraw/zinc/26/10/96/795261096.db2.gz MNGYSYOLXXMZNT-HOTGVXAUSA-N 1 2 326.444 2.379 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3c(F)cccc3OC)CC2)C1 ZINC001093539531 795343121 /nfs/dbraw/zinc/34/31/21/795343121.db2.gz SHHJQXLRMRTQSR-UHFFFAOYSA-N 1 2 348.418 2.326 20 30 EEEDLO CC[C@H]1CN(C(=O)CSCC#N)CC[C@H]1Nc1cc[nH+]c(C)n1 ZINC001110024621 806407751 /nfs/dbraw/zinc/40/77/51/806407751.db2.gz AYYGAMCCWGQFIQ-UONOGXRCSA-N 1 2 333.461 2.081 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106303860 795370468 /nfs/dbraw/zinc/37/04/68/795370468.db2.gz CHSGIKBQWWMHNS-KPZWWZAWSA-N 1 2 332.448 2.296 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccncc3Cl)CC2)C1 ZINC001093577000 795387429 /nfs/dbraw/zinc/38/74/29/795387429.db2.gz DZQPJSIXEYVSTI-UHFFFAOYSA-N 1 2 335.835 2.226 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H]3CC[C@@H](C4CC4)O3)CC2)C1 ZINC001093555895 795409618 /nfs/dbraw/zinc/40/96/18/795409618.db2.gz MGJGRKFFHMBVDB-HKUYNNGSSA-N 1 2 348.487 2.212 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nncc3ccccc32)C1 ZINC001080103611 795598792 /nfs/dbraw/zinc/59/87/92/795598792.db2.gz LRDIVKOASUJTPE-IAQYHMDHSA-N 1 2 330.819 2.432 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nncc3ccccc32)C1 ZINC001080103611 795598797 /nfs/dbraw/zinc/59/87/97/795598797.db2.gz LRDIVKOASUJTPE-IAQYHMDHSA-N 1 2 330.819 2.432 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)c(C)o1 ZINC000993202220 795869502 /nfs/dbraw/zinc/86/95/02/795869502.db2.gz OUHFANQODAWNBO-ZBEGNZNMSA-N 1 2 341.415 2.274 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)c(C)o1 ZINC000993202220 795869511 /nfs/dbraw/zinc/86/95/11/795869511.db2.gz OUHFANQODAWNBO-ZBEGNZNMSA-N 1 2 341.415 2.274 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@@H+]1Cc1cncc(F)c1 ZINC000993203495 795892195 /nfs/dbraw/zinc/89/21/95/795892195.db2.gz PZVCGOFFMFYAJN-YVEFUNNKSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1Cc1cncc(F)c1 ZINC000993203495 795892204 /nfs/dbraw/zinc/89/22/04/795892204.db2.gz PZVCGOFFMFYAJN-YVEFUNNKSA-N 1 2 341.390 2.203 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CCNc1[nH+]cnc2c1cnn2C ZINC001106592867 795906051 /nfs/dbraw/zinc/90/60/51/795906051.db2.gz JZYWMJCFWYUBIA-LBPRGKRZSA-N 1 2 330.436 2.272 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001108028863 795909562 /nfs/dbraw/zinc/90/95/62/795909562.db2.gz MREFRHRTJQGXCX-ICSRJNTNSA-N 1 2 328.456 2.500 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001108028863 795909564 /nfs/dbraw/zinc/90/95/64/795909564.db2.gz MREFRHRTJQGXCX-ICSRJNTNSA-N 1 2 328.456 2.500 20 30 EEEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C3CCCCCCC3)nn2)C1 ZINC001094303745 796073456 /nfs/dbraw/zinc/07/34/56/796073456.db2.gz ZJGMSFBYRUQTSE-UHFFFAOYSA-N 1 2 343.475 2.135 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC[C@H](C(C)C)CC3)nn2)C1 ZINC001094330573 796103946 /nfs/dbraw/zinc/10/39/46/796103946.db2.gz MFJHAXLORGBHBY-WKILWMFISA-N 1 2 345.491 2.399 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3ccc(C)c(C)c3)nn2)C1 ZINC001094337264 796111007 /nfs/dbraw/zinc/11/10/07/796111007.db2.gz KNSIVPSVEBZFBO-UHFFFAOYSA-N 1 2 339.443 2.258 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ccc(Cl)c(F)c3)nn2)C1 ZINC001094322211 796129509 /nfs/dbraw/zinc/12/95/09/796129509.db2.gz YXIKZENOJVXUBX-UHFFFAOYSA-N 1 2 349.797 2.043 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nn(C)c(C)c2Cl)C1 ZINC001080532873 796155246 /nfs/dbraw/zinc/15/52/46/796155246.db2.gz BHIGKDFNRUTSAW-LDYMZIIASA-N 1 2 331.247 2.185 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nn(C)c(C)c2Cl)C1 ZINC001080532873 796155250 /nfs/dbraw/zinc/15/52/50/796155250.db2.gz BHIGKDFNRUTSAW-LDYMZIIASA-N 1 2 331.247 2.185 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001080628846 796261320 /nfs/dbraw/zinc/26/13/20/796261320.db2.gz HYLPDSSMMHGLLM-IAQYHMDHSA-N 1 2 345.834 2.274 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC001080628846 796261325 /nfs/dbraw/zinc/26/13/25/796261325.db2.gz HYLPDSSMMHGLLM-IAQYHMDHSA-N 1 2 345.834 2.274 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2c(Cl)cnn2C)[C@@H]1C ZINC000993371134 796483429 /nfs/dbraw/zinc/48/34/29/796483429.db2.gz YOOFTVNTCOSOOM-CMPLNLGQSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2c(Cl)cnn2C)[C@@H]1C ZINC000993371134 796483431 /nfs/dbraw/zinc/48/34/31/796483431.db2.gz YOOFTVNTCOSOOM-CMPLNLGQSA-N 1 2 331.247 2.409 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC(CN(CC)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001081104772 796646629 /nfs/dbraw/zinc/64/66/29/796646629.db2.gz QQUSISPSUOXMGF-UHFFFAOYSA-N 1 2 346.475 2.252 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001108037691 796926259 /nfs/dbraw/zinc/92/62/59/796926259.db2.gz GZRVOTYMHAHYPM-ICSRJNTNSA-N 1 2 344.455 2.197 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC001108037691 796926263 /nfs/dbraw/zinc/92/62/63/796926263.db2.gz GZRVOTYMHAHYPM-ICSRJNTNSA-N 1 2 344.455 2.197 20 30 EEEDLO Cn1c[nH+]cc1CC(=O)NCCCCCCNc1ccc(C#N)cn1 ZINC001094963714 797120702 /nfs/dbraw/zinc/12/07/02/797120702.db2.gz LWUKCOXTWHEJRS-UHFFFAOYSA-N 1 2 340.431 2.018 20 30 EEEDLO N#Cc1ccc(NCCCCCCNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001094967550 797137995 /nfs/dbraw/zinc/13/79/95/797137995.db2.gz NKYMKRQXZAXDFH-UHFFFAOYSA-N 1 2 326.404 2.008 20 30 EEEDLO N#Cc1ccc(NCCCCCCNC(=O)CCn2cc[nH+]c2)cn1 ZINC001094983132 797164183 /nfs/dbraw/zinc/16/41/83/797164183.db2.gz XWPGBIBGMZFIAS-UHFFFAOYSA-N 1 2 340.431 2.329 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001082079560 797177759 /nfs/dbraw/zinc/17/77/59/797177759.db2.gz CXJWPNNBLNPFSF-CVEARBPZSA-N 1 2 332.448 2.298 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001082178439 797265404 /nfs/dbraw/zinc/26/54/04/797265404.db2.gz FTWUMBBGSMXIHE-HOTGVXAUSA-N 1 2 346.475 2.062 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CC12CCC2 ZINC001082183570 797298750 /nfs/dbraw/zinc/29/87/50/797298750.db2.gz JZJXPCHIMUWRPO-KZNAEPCWSA-N 1 2 339.439 2.064 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1CC12CCC2 ZINC001082183570 797298757 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Cc1ncsc1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038083249 798646906 /nfs/dbraw/zinc/64/69/06/798646906.db2.gz OKEZWWLSFZXYGM-HNNXBMFYSA-N 1 2 326.425 2.328 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)C=C(CC)CC)C[C@H]21 ZINC001176983454 798673388 /nfs/dbraw/zinc/67/33/88/798673388.db2.gz UFRDMZMPTZWSDV-QZTJIDSGSA-N 1 2 336.476 2.237 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C=C(CC)CC)C[C@H]21 ZINC001176983454 798673390 /nfs/dbraw/zinc/67/33/90/798673390.db2.gz UFRDMZMPTZWSDV-QZTJIDSGSA-N 1 2 336.476 2.237 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CC[C@H]2OCC[N@H+](CCCCCF)[C@H]2C1 ZINC001177006413 798691716 /nfs/dbraw/zinc/69/17/16/798691716.db2.gz PHCAPEIOFIQSEB-DLBZAZTESA-N 1 2 338.467 2.477 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CC[C@H]2OCC[N@@H+](CCCCCF)[C@H]2C1 ZINC001177006413 798691717 /nfs/dbraw/zinc/69/17/17/798691717.db2.gz PHCAPEIOFIQSEB-DLBZAZTESA-N 1 2 338.467 2.477 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCCc3ncc(C)o3)C[C@H]21 ZINC001177029300 798704205 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20 30 EEEDLO C=CCOCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nccs1 ZINC001098970571 798750203 /nfs/dbraw/zinc/75/02/03/798750203.db2.gz DJPRSTDHIQHFKH-CQSZACIVSA-N 1 2 337.489 2.453 20 30 EEEDLO C=CCOCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nccs1 ZINC001098970571 798750209 /nfs/dbraw/zinc/75/02/09/798750209.db2.gz DJPRSTDHIQHFKH-CQSZACIVSA-N 1 2 337.489 2.453 20 30 EEEDLO Cc1nc(N2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)c(C)c(C)[nH+]1 ZINC001065239426 798814251 /nfs/dbraw/zinc/81/42/51/798814251.db2.gz XMGXUZGCWDWLIO-SFHVURJKSA-N 1 2 338.415 2.000 20 30 EEEDLO CCC/C=C/CC[N@@H+]1CCn2ncc(CNC(=O)C#CC3CC3)c2C1 ZINC001128347202 798992526 /nfs/dbraw/zinc/99/25/26/798992526.db2.gz PNHBPPFUBUZTKA-SNAWJCMRSA-N 1 2 340.471 2.475 20 30 EEEDLO CCC/C=C/CC[N@H+]1CCn2ncc(CNC(=O)C#CC3CC3)c2C1 ZINC001128347202 798992534 /nfs/dbraw/zinc/99/25/34/798992534.db2.gz PNHBPPFUBUZTKA-SNAWJCMRSA-N 1 2 340.471 2.475 20 30 EEEDLO C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)C2(CC)CC2)C1 ZINC001177547126 799022687 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347.503 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCC3(C)C)C2)CC1 ZINC001065711900 799410343 /nfs/dbraw/zinc/41/03/43/799410343.db2.gz RAAWQPDUKZGMGV-SJORKVTESA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C(C)(C)C)C2)CC1 ZINC001065713410 799414537 /nfs/dbraw/zinc/41/45/37/799414537.db2.gz RQHGNDLARONAQJ-MRXNPFEDSA-N 1 2 349.519 2.380 20 30 EEEDLO CC(C)C#CC(=O)N1CC[C@H]([NH2+]Cc2nc(CC(C)C)no2)[C@@H]1C ZINC001178648533 799561334 /nfs/dbraw/zinc/56/13/34/799561334.db2.gz FXHDXDPVOSGCQJ-GJZGRUSLSA-N 1 2 332.448 2.007 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NCc1cnn2c1C[N@H+](CCCCOC)CC2 ZINC001128448902 799573231 /nfs/dbraw/zinc/57/32/31/799573231.db2.gz XLTQAFZKWGPBIK-HOTGVXAUSA-N 1 2 348.491 2.200 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NCc1cnn2c1C[N@@H+](CCCCOC)CC2 ZINC001128448902 799573234 /nfs/dbraw/zinc/57/32/34/799573234.db2.gz XLTQAFZKWGPBIK-HOTGVXAUSA-N 1 2 348.491 2.200 20 30 EEEDLO C#Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)c3ncccn3)CC2)cc1 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164369786 /nfs/dbraw/zinc/36/97/86/164369786.db2.gz ICDIGECAXYOXIK-PBHICJAKSA-N 1 2 337.427 2.290 20 30 EEEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](n3cccn3)C2)c(C#N)c1C ZINC000368262565 166078681 /nfs/dbraw/zinc/07/86/81/166078681.db2.gz YVXINULXYZJXEL-CYBMUJFWSA-N 1 2 329.429 2.319 20 30 EEEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](n3cccn3)C2)c(C#N)c1C ZINC000368262565 166078685 /nfs/dbraw/zinc/07/86/85/166078685.db2.gz YVXINULXYZJXEL-CYBMUJFWSA-N 1 2 329.429 2.319 20 30 EEEDLO C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000123369434 222264802 /nfs/dbraw/zinc/26/48/02/222264802.db2.gz QOGDKEGICVRWLQ-UHFFFAOYSA-N 1 2 341.415 2.411 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H](O)C3CCCCC3)CC2)cc1 ZINC000332533056 270018953 /nfs/dbraw/zinc/01/89/53/270018953.db2.gz ROKJTOGFJOSWGD-IBGZPJMESA-N 1 2 341.455 2.144 20 30 EEEDLO CC(C)(C(=O)NCC[N@@H+]1CCOCC1(C)C)c1cc(F)cc(C#N)c1 ZINC000285399888 265687189 /nfs/dbraw/zinc/68/71/89/265687189.db2.gz TXUNGTWXWXRDCI-UHFFFAOYSA-N 1 2 347.434 2.202 20 30 EEEDLO CC(C)(C(=O)NCC[N@H+]1CCOCC1(C)C)c1cc(F)cc(C#N)c1 ZINC000285399888 265687192 /nfs/dbraw/zinc/68/71/92/265687192.db2.gz TXUNGTWXWXRDCI-UHFFFAOYSA-N 1 2 347.434 2.202 20 30 EEEDLO CN(CC(C)(C)C[NH+]1CCOCC1)c1nc(Cl)c(C#N)s1 ZINC000286065792 266530818 /nfs/dbraw/zinc/53/08/18/266530818.db2.gz BXQLGKIDFQHHRC-UHFFFAOYSA-N 1 2 328.869 2.463 20 30 EEEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000451932273 267256787 /nfs/dbraw/zinc/25/67/87/267256787.db2.gz SMULXDRKRQUVRN-SNVBAGLBSA-N 1 2 338.820 2.468 20 30 EEEDLO Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000277506599 267355233 /nfs/dbraw/zinc/35/52/33/267355233.db2.gz BEGUUMIQHMTIKE-GUYCJALGSA-N 1 2 344.440 2.335 20 30 EEEDLO Cc1cccc([C@H](CNc2cc(C)ncc2C#N)[NH+]2CCOCC2)c1 ZINC000425212393 268057545 /nfs/dbraw/zinc/05/75/45/268057545.db2.gz ZZGBHGUAUXLVPN-FQEVSTJZSA-N 1 2 336.439 2.477 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(F)(C#N)CC3)C2=O)cc1 ZINC000352463879 268111289 /nfs/dbraw/zinc/11/12/89/268111289.db2.gz LNQZCNJSGMNWEM-MRXNPFEDSA-N 1 2 326.375 2.381 20 30 EEEDLO Cn1ncc(C(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)c1C#N ZINC000425314359 268132274 /nfs/dbraw/zinc/13/22/74/268132274.db2.gz JFVAMIMATHPQHV-UHFFFAOYSA-N 1 2 348.410 2.263 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286540718 268308442 /nfs/dbraw/zinc/30/84/42/268308442.db2.gz OFGAFRRXCUOXTH-MNOVXSKESA-N 1 2 347.362 2.051 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286540718 268308446 /nfs/dbraw/zinc/30/84/46/268308446.db2.gz OFGAFRRXCUOXTH-MNOVXSKESA-N 1 2 347.362 2.051 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCSC3)CC2)cc1 ZINC000279565429 269288957 /nfs/dbraw/zinc/28/89/57/269288957.db2.gz NVGJSFICORGZQL-QGZVFWFLSA-N 1 2 344.484 2.139 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)cc1 ZINC000280319696 269351092 /nfs/dbraw/zinc/35/10/92/269351092.db2.gz YEDZLCUJSDCKKX-UHFFFAOYSA-N 1 2 326.444 2.083 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1C#N ZINC000351824172 280223839 /nfs/dbraw/zinc/22/38/39/280223839.db2.gz FDCNHXWSMLGLPX-SJCJKPOMSA-N 1 2 344.459 2.343 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@H](O)[C@@H](C)C2)c1C#N ZINC000351824172 280223841 /nfs/dbraw/zinc/22/38/41/280223841.db2.gz FDCNHXWSMLGLPX-SJCJKPOMSA-N 1 2 344.459 2.343 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1ccc(Br)cc1 ZINC000493866776 289218651 /nfs/dbraw/zinc/21/86/51/289218651.db2.gz DKHHVFWLOZPKBU-AJHXJQRKSA-N 1 2 336.233 2.422 20 30 EEEDLO Cc1cc(C#N)cc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000455948732 301073409 /nfs/dbraw/zinc/07/34/09/301073409.db2.gz BNWYMDMZWJJCFV-KRWDZBQOSA-N 1 2 328.416 2.195 20 30 EEEDLO CN(C(=O)c1ccc(Cl)c(C#N)c1)C(C)(C)C[NH+]1CCOCC1 ZINC000564546966 319090437 /nfs/dbraw/zinc/09/04/37/319090437.db2.gz MFUWXIRQCSIHSB-UHFFFAOYSA-N 1 2 335.835 2.394 20 30 EEEDLO CCc1ccc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)cc1 ZINC000565491776 319187902 /nfs/dbraw/zinc/18/79/02/319187902.db2.gz QVGGTDGYZFBURF-UHFFFAOYSA-N 1 2 337.423 2.163 20 30 EEEDLO CCCC[C@H]([NH2+]C[C@H]1CNc2c(C#N)cnn2C1)C(=O)OC(C)(C)C ZINC000566560981 319301061 /nfs/dbraw/zinc/30/10/61/319301061.db2.gz ASAOZOBGVKYTER-ZFWWWQNUSA-N 1 2 347.463 2.287 20 30 EEEDLO Cc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc1[N+](=O)[O-] ZINC000574743397 320052768 /nfs/dbraw/zinc/05/27/68/320052768.db2.gz UKMCHWNHIGWVSL-UHFFFAOYSA-N 1 2 337.383 2.492 20 30 EEEDLO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)c1 ZINC000181939598 323360024 /nfs/dbraw/zinc/36/00/24/323360024.db2.gz ZNPZMGIMPQAZNS-GFCCVEGCSA-N 1 2 347.415 2.456 20 30 EEEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000049001224 462949052 /nfs/dbraw/zinc/94/90/52/462949052.db2.gz CDRHNPKJVLVAFK-SNVBAGLBSA-N 1 2 335.205 2.048 20 30 EEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000049001224 462949054 /nfs/dbraw/zinc/94/90/54/462949054.db2.gz CDRHNPKJVLVAFK-SNVBAGLBSA-N 1 2 335.205 2.048 20 30 EEEDLO CS[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000296282784 465142484 /nfs/dbraw/zinc/14/24/84/465142484.db2.gz MWFGQOFZLHQRIK-HNNXBMFYSA-N 1 2 341.440 2.120 20 30 EEEDLO CS[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000296282784 465142492 /nfs/dbraw/zinc/14/24/92/465142492.db2.gz MWFGQOFZLHQRIK-HNNXBMFYSA-N 1 2 341.440 2.120 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000347650335 465148530 /nfs/dbraw/zinc/14/85/30/465148530.db2.gz HNGZFSCQLDFNQK-HNNXBMFYSA-N 1 2 348.443 2.101 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000347650335 465148537 /nfs/dbraw/zinc/14/85/37/465148537.db2.gz HNGZFSCQLDFNQK-HNNXBMFYSA-N 1 2 348.443 2.101 20 30 EEEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328935511 465174144 /nfs/dbraw/zinc/17/41/44/465174144.db2.gz CJZJILOBASFHIE-YUELXQCFSA-N 1 2 346.431 2.282 20 30 EEEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328935511 465174149 /nfs/dbraw/zinc/17/41/49/465174149.db2.gz CJZJILOBASFHIE-YUELXQCFSA-N 1 2 346.431 2.282 20 30 EEEDLO C[C@@H]1CN(C(=O)Nc2scnc2C2CC2)C[C@H]1[NH+]1CCOCC1 ZINC000328938409 465175476 /nfs/dbraw/zinc/17/54/76/465175476.db2.gz RNGUUDJRHSXHDN-DGCLKSJQSA-N 1 2 336.461 2.219 20 30 EEEDLO CN1CCOC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000329010348 465200918 /nfs/dbraw/zinc/20/09/18/465200918.db2.gz HWJIFEYRVHYHKF-MRXNPFEDSA-N 1 2 332.448 2.249 20 30 EEEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)CCC3CCCCC3)CC2)C1=O ZINC000337141504 465212047 /nfs/dbraw/zinc/21/20/47/465212047.db2.gz SITYWZGESPKKEI-GOSISDBHSA-N 1 2 347.503 2.278 20 30 EEEDLO O=C(C[N@@H+]1CCO[C@]2(CCCOC2)C1)N[C@H]1CCOc2ccccc21 ZINC000329095732 465231519 /nfs/dbraw/zinc/23/15/19/465231519.db2.gz XYRIGKDCKRPARY-QFBILLFUSA-N 1 2 346.427 2.348 20 30 EEEDLO O=C(C[N@H+]1CCO[C@]2(CCCOC2)C1)N[C@H]1CCOc2ccccc21 ZINC000329095732 465231523 /nfs/dbraw/zinc/23/15/23/465231523.db2.gz XYRIGKDCKRPARY-QFBILLFUSA-N 1 2 346.427 2.348 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CCC[C@](C)(O)C1)C2 ZINC000329139505 465245022 /nfs/dbraw/zinc/24/50/22/465245022.db2.gz SMMYUJRIVRHKGZ-ACJLOTCBSA-N 1 2 334.464 2.256 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)[C@@H]2C)cc1 ZINC000355446739 465249368 /nfs/dbraw/zinc/24/93/68/465249368.db2.gz VFCZZLZFJJWJGX-YJBOKZPZSA-N 1 2 330.428 2.187 20 30 EEEDLO CC(C)[C@@H](C(=O)NCc1nncn1C1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329179741 465258008 /nfs/dbraw/zinc/25/80/08/465258008.db2.gz NYCMSZFHDUUTFD-ZENOOKHLSA-N 1 2 335.452 2.203 20 30 EEEDLO CC(C)[C@@H](C(=O)NCc1nncn1C1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329179741 465258015 /nfs/dbraw/zinc/25/80/15/465258015.db2.gz NYCMSZFHDUUTFD-ZENOOKHLSA-N 1 2 335.452 2.203 20 30 EEEDLO C=CC[C@H](CO)CNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000341847267 465267937 /nfs/dbraw/zinc/26/79/37/465267937.db2.gz SARCWDMEESQIEE-KRWDZBQOSA-N 1 2 342.443 2.110 20 30 EEEDLO C=CCCC1(C(=O)NC[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CC1 ZINC000356055098 465288603 /nfs/dbraw/zinc/28/86/03/465288603.db2.gz GQWQBFQKQLZQMH-LSDHHAIUSA-N 1 2 334.439 2.195 20 30 EEEDLO CN(C)c1[nH+]cccc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000347915727 465306771 /nfs/dbraw/zinc/30/67/71/465306771.db2.gz NPKIYJJAKYYDLS-UHFFFAOYSA-N 1 2 332.367 2.457 20 30 EEEDLO C#CC[N@@H+](Cc1cc(C)c2ncccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000490935668 468271694 /nfs/dbraw/zinc/27/16/94/468271694.db2.gz OCWIZVRMSJLZRJ-KRWDZBQOSA-N 1 2 328.437 2.166 20 30 EEEDLO C#CC[N@H+](Cc1cc(C)c2ncccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000490935668 468271700 /nfs/dbraw/zinc/27/17/00/468271700.db2.gz OCWIZVRMSJLZRJ-KRWDZBQOSA-N 1 2 328.437 2.166 20 30 EEEDLO COc1cc(OC)c2ncc(C#N)c(N3CCc4[nH+]c[nH]c4C3)c2c1 ZINC000590567873 468274858 /nfs/dbraw/zinc/27/48/58/468274858.db2.gz VNUPXWDVQWABRW-UHFFFAOYSA-N 1 2 335.367 2.409 20 30 EEEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)C1 ZINC000329590259 465380468 /nfs/dbraw/zinc/38/04/68/465380468.db2.gz SZICNBNILDTHGC-JTNHKYCSSA-N 1 2 341.814 2.169 20 30 EEEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)C1 ZINC000329590259 465380475 /nfs/dbraw/zinc/38/04/75/465380475.db2.gz SZICNBNILDTHGC-JTNHKYCSSA-N 1 2 341.814 2.169 20 30 EEEDLO C[C@H](c1ccncc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000127451508 462555182 /nfs/dbraw/zinc/55/51/82/462555182.db2.gz QXOJAQGWWOHAJS-CQSZACIVSA-N 1 2 329.425 2.420 20 30 EEEDLO C[C@H](c1ccncc1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000127451508 462555187 /nfs/dbraw/zinc/55/51/87/462555187.db2.gz QXOJAQGWWOHAJS-CQSZACIVSA-N 1 2 329.425 2.420 20 30 EEEDLO Cc1ccc(SCC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000060634328 462562506 /nfs/dbraw/zinc/56/25/06/462562506.db2.gz KMYFWFUYLIRHGA-UHFFFAOYSA-N 1 2 347.484 2.162 20 30 EEEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000063589867 462656285 /nfs/dbraw/zinc/65/62/85/462656285.db2.gz IGGPSPCZTFNOAB-UHFFFAOYSA-N 1 2 346.374 2.035 20 30 EEEDLO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC(=O)NC1CC1 ZINC000129388729 462703678 /nfs/dbraw/zinc/70/36/78/462703678.db2.gz YBJCUZOSDARDBX-UHFFFAOYSA-N 1 2 326.318 2.147 20 30 EEEDLO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC(=O)NC1CC1 ZINC000129388729 462703686 /nfs/dbraw/zinc/70/36/86/462703686.db2.gz YBJCUZOSDARDBX-UHFFFAOYSA-N 1 2 326.318 2.147 20 30 EEEDLO CC(=O)N(C)C1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000064558313 462710353 /nfs/dbraw/zinc/71/03/53/462710353.db2.gz OEFSLALSKFGRCK-GFCCVEGCSA-N 1 2 346.431 2.038 20 30 EEEDLO C#CC[N@@H+](CCCSCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000090554108 462797799 /nfs/dbraw/zinc/79/77/99/462797799.db2.gz RTZHFMXMNZCJEN-KRWDZBQOSA-N 1 2 337.510 2.432 20 30 EEEDLO C#CC[N@H+](CCCSCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000090554108 462797802 /nfs/dbraw/zinc/79/78/02/462797802.db2.gz RTZHFMXMNZCJEN-KRWDZBQOSA-N 1 2 337.510 2.432 20 30 EEEDLO CC(C)(CNC(=O)N[C@@H](CCC#N)c1ccccc1)[NH+]1CCOCC1 ZINC000131267357 462801388 /nfs/dbraw/zinc/80/13/88/462801388.db2.gz HFGWPRJWUVUBOR-KRWDZBQOSA-N 1 2 344.459 2.441 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ncccc2F)CC1 ZINC000090630727 462803543 /nfs/dbraw/zinc/80/35/43/462803543.db2.gz DXAIRXSNCVHDQF-OAHLLOKOSA-N 1 2 334.439 2.156 20 30 EEEDLO CC(C)C(=O)N1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000118830911 462855572 /nfs/dbraw/zinc/85/55/72/462855572.db2.gz KGQAYLFMAXUWIG-OAHLLOKOSA-N 1 2 342.443 2.076 20 30 EEEDLO CC(C)C(=O)N1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000118830911 462855575 /nfs/dbraw/zinc/85/55/75/462855575.db2.gz KGQAYLFMAXUWIG-OAHLLOKOSA-N 1 2 342.443 2.076 20 30 EEEDLO COC(=O)c1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c[nH]1 ZINC000091918254 462914033 /nfs/dbraw/zinc/91/40/33/462914033.db2.gz GVSWDTRJEBMVGE-UHFFFAOYSA-N 1 2 342.374 2.134 20 30 EEEDLO COc1ccc(C#N)cc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000050092496 462987482 /nfs/dbraw/zinc/98/74/82/462987482.db2.gz DDRMQPWHAUHARK-UHFFFAOYSA-N 1 2 337.383 2.316 20 30 EEEDLO N#Cc1ccccc1N1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000078512731 463123864 /nfs/dbraw/zinc/12/38/64/463123864.db2.gz YENZPIVIGDYBBJ-XMMPIXPASA-N 1 2 339.464 2.488 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000135239828 463131567 /nfs/dbraw/zinc/13/15/67/463131567.db2.gz RHSOJJQAPNVBMY-SFHVURJKSA-N 1 2 342.399 2.368 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000135239828 463131574 /nfs/dbraw/zinc/13/15/74/463131574.db2.gz RHSOJJQAPNVBMY-SFHVURJKSA-N 1 2 342.399 2.368 20 30 EEEDLO CCCCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000078691705 463141291 /nfs/dbraw/zinc/14/12/91/463141291.db2.gz KAMHAUDQZKETJI-SJLPKXTDSA-N 1 2 328.460 2.174 20 30 EEEDLO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078691679 463141932 /nfs/dbraw/zinc/14/19/32/463141932.db2.gz BOLBCUUEXFNECU-BQFCYCMXSA-N 1 2 328.460 2.172 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000029156842 463243898 /nfs/dbraw/zinc/24/38/98/463243898.db2.gz CCGIDXZBDBDWIU-CRAIPNDOSA-N 1 2 348.516 2.309 20 30 EEEDLO CCc1ccc(NC(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000029444049 463256940 /nfs/dbraw/zinc/25/69/40/463256940.db2.gz IITMGOGDBFYPPC-UHFFFAOYSA-N 1 2 349.438 2.276 20 30 EEEDLO N#CC1(NC(=O)C[NH+]2CCC(Nc3ccccn3)CC2)CCCCC1 ZINC000536368276 468349147 /nfs/dbraw/zinc/34/91/47/468349147.db2.gz DFFRBENYRSZCHK-UHFFFAOYSA-N 1 2 341.459 2.301 20 30 EEEDLO N#Cc1ccccc1OCC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000030299542 463293705 /nfs/dbraw/zinc/29/37/05/463293705.db2.gz FAARBGGWKPMANV-UHFFFAOYSA-N 1 2 336.395 2.249 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc2[nH]ccc21 ZINC000080206588 463295162 /nfs/dbraw/zinc/29/51/62/463295162.db2.gz RSCFWLFICQACRC-UHFFFAOYSA-N 1 2 341.415 2.248 20 30 EEEDLO N#Cc1ccccc1OCC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000030584855 463305443 /nfs/dbraw/zinc/30/54/43/463305443.db2.gz HPRKDTBVHKEOHH-UHFFFAOYSA-N 1 2 346.390 2.498 20 30 EEEDLO C#CCNC(=O)c1ccc(NCCCc2[nH+]c3ccccc3n2C)nc1 ZINC000081009157 463381408 /nfs/dbraw/zinc/38/14/08/463381408.db2.gz HGUPNGMLKZWFHU-UHFFFAOYSA-N 1 2 347.422 2.376 20 30 EEEDLO C#CC[NH+]1CCN(Cn2nc(C=Cc3ccccc3)[nH]c2=S)CC1 ZINC000044756752 463692591 /nfs/dbraw/zinc/69/25/91/463692591.db2.gz ASRWEIBSYAJSQW-CMDGGOBGSA-N 1 2 339.468 2.319 20 30 EEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(CC#N)cc1 ZINC000286883641 463733181 /nfs/dbraw/zinc/73/31/81/463733181.db2.gz CNHMCCRQWICJCF-YOEHRIQHSA-N 1 2 328.416 2.080 20 30 EEEDLO C=CCOc1ccccc1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287425826 463896106 /nfs/dbraw/zinc/89/61/06/463896106.db2.gz QKTYYCIFMCATDY-JKSUJKDBSA-N 1 2 330.428 2.187 20 30 EEEDLO Cc1[nH]nc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1C#N ZINC000278553071 463970974 /nfs/dbraw/zinc/97/09/74/463970974.db2.gz GVJTTXSJEQOTMU-OAHLLOKOSA-N 1 2 327.363 2.332 20 30 EEEDLO Cc1[nH]nc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1C#N ZINC000278553071 463970978 /nfs/dbraw/zinc/97/09/78/463970978.db2.gz GVJTTXSJEQOTMU-OAHLLOKOSA-N 1 2 327.363 2.332 20 30 EEEDLO CCOc1ccccc1[C@@H](CC)NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000283912779 464039761 /nfs/dbraw/zinc/03/97/61/464039761.db2.gz DPSCSCXKYMAQMV-ZBFHGGJFSA-N 1 2 349.431 2.120 20 30 EEEDLO C#CCOc1ccccc1C[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000290304430 464114658 /nfs/dbraw/zinc/11/46/58/464114658.db2.gz IGFOFEQZRLWSMN-UHFFFAOYSA-N 1 2 330.409 2.490 20 30 EEEDLO N#CCCn1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000173354963 464245757 /nfs/dbraw/zinc/24/57/57/464245757.db2.gz PIKZEPBBQRUYPM-UHFFFAOYSA-N 1 2 349.398 2.363 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC(C)=C(Br)C1 ZINC000280856848 464263016 /nfs/dbraw/zinc/26/30/16/464263016.db2.gz IJVDLCTYBNHQJI-NSHDSACASA-N 1 2 328.254 2.369 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC(C)=C(Br)C1 ZINC000280856848 464263021 /nfs/dbraw/zinc/26/30/21/464263021.db2.gz IJVDLCTYBNHQJI-NSHDSACASA-N 1 2 328.254 2.369 20 30 EEEDLO COc1cc(-c2noc(CO[NH+]=C(N)[C@H]3CCCO3)n2)ccc1C ZINC000284617051 464264586 /nfs/dbraw/zinc/26/45/86/464264586.db2.gz ZIEGXKGUULKNSX-GFCCVEGCSA-N 1 2 332.360 2.021 20 30 EEEDLO C[C@@H]1CC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1C ZINC000271025561 464276846 /nfs/dbraw/zinc/27/68/46/464276846.db2.gz KBYAPHRXKIVSIW-IPYPFGDCSA-N 1 2 338.411 2.490 20 30 EEEDLO C[C@@H]1CC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1C ZINC000271025561 464276850 /nfs/dbraw/zinc/27/68/50/464276850.db2.gz KBYAPHRXKIVSIW-IPYPFGDCSA-N 1 2 338.411 2.490 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NCCC2=CCCCC2)C1=O ZINC000281195392 464367106 /nfs/dbraw/zinc/36/71/06/464367106.db2.gz CAVNWUZPYSYFEM-RDJZCZTQSA-N 1 2 333.476 2.100 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NCCC2=CCCCC2)C1=O ZINC000281195392 464367113 /nfs/dbraw/zinc/36/71/13/464367113.db2.gz CAVNWUZPYSYFEM-RDJZCZTQSA-N 1 2 333.476 2.100 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2Cl)C1=O ZINC000281227892 464378287 /nfs/dbraw/zinc/37/82/87/464378287.db2.gz KUPDAPQUAWCPSX-OAHLLOKOSA-N 1 2 336.819 2.345 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(C(=O)OC)ccc2Cl)C1=O ZINC000281227892 464378295 /nfs/dbraw/zinc/37/82/95/464378295.db2.gz KUPDAPQUAWCPSX-OAHLLOKOSA-N 1 2 336.819 2.345 20 30 EEEDLO N#CCSCC(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000271979915 464433987 /nfs/dbraw/zinc/43/39/87/464433987.db2.gz YAAMUTUYTKYARG-UHFFFAOYSA-N 1 2 340.452 2.267 20 30 EEEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)C1 ZINC000245453929 464483653 /nfs/dbraw/zinc/48/36/53/464483653.db2.gz GJLVDXFYKIUKCF-CHWSQXEVSA-N 1 2 328.199 2.005 20 30 EEEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)C1 ZINC000245453929 464483659 /nfs/dbraw/zinc/48/36/59/464483659.db2.gz GJLVDXFYKIUKCF-CHWSQXEVSA-N 1 2 328.199 2.005 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCCOc2ccccc2[N+](=O)[O-])cs1 ZINC000181593465 464510574 /nfs/dbraw/zinc/51/05/74/464510574.db2.gz HIJHYOUGNYZQCP-UHFFFAOYSA-N 1 2 336.373 2.270 20 30 EEEDLO C=CCCCC(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000175361134 464533290 /nfs/dbraw/zinc/53/32/90/464533290.db2.gz SJELKVSHXOBTMV-UHFFFAOYSA-N 1 2 325.453 2.012 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554540788 468416107 /nfs/dbraw/zinc/41/61/07/468416107.db2.gz NDVDLYQDJZAVHZ-WBVHZDCISA-N 1 2 341.415 2.429 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554540787 468416848 /nfs/dbraw/zinc/41/68/48/468416848.db2.gz NDVDLYQDJZAVHZ-RDJZCZTQSA-N 1 2 341.415 2.429 20 30 EEEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)NC[C@H](C)C#N)CC2)c1 ZINC000182840183 464740163 /nfs/dbraw/zinc/74/01/63/464740163.db2.gz YOMWKGCXIVUYKC-CABCVRRESA-N 1 2 330.432 2.243 20 30 EEEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000191076360 464773709 /nfs/dbraw/zinc/77/37/09/464773709.db2.gz NDMARQWQMYXDEA-OAHLLOKOSA-N 1 2 345.443 2.275 20 30 EEEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000191076360 464773715 /nfs/dbraw/zinc/77/37/15/464773715.db2.gz NDMARQWQMYXDEA-OAHLLOKOSA-N 1 2 345.443 2.275 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249537776 464886108 /nfs/dbraw/zinc/88/61/08/464886108.db2.gz CYLOVZWXAJCBTA-JTNHKYCSSA-N 1 2 333.457 2.138 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249537776 464886110 /nfs/dbraw/zinc/88/61/10/464886110.db2.gz CYLOVZWXAJCBTA-JTNHKYCSSA-N 1 2 333.457 2.138 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)[C@@H](C(N)=O)C1 ZINC000249552535 464889701 /nfs/dbraw/zinc/88/97/01/464889701.db2.gz INMKILLRFMBSPX-QMTHXVAHSA-N 1 2 336.233 2.407 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)[C@@H](C(N)=O)C1 ZINC000249552535 464889705 /nfs/dbraw/zinc/88/97/05/464889705.db2.gz INMKILLRFMBSPX-QMTHXVAHSA-N 1 2 336.233 2.407 20 30 EEEDLO Cc1cc(F)cc2c1C[N@H+](CC(=O)N(CCC#N)CCC#N)CC2 ZINC000337450130 465376206 /nfs/dbraw/zinc/37/62/06/465376206.db2.gz KHEGBJDIAZRHSF-UHFFFAOYSA-N 1 2 328.391 2.148 20 30 EEEDLO Cc1cc(F)cc2c1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC2 ZINC000337450130 465376210 /nfs/dbraw/zinc/37/62/10/465376210.db2.gz KHEGBJDIAZRHSF-UHFFFAOYSA-N 1 2 328.391 2.148 20 30 EEEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NCc1cn2ccccc2[nH+]1 ZINC000359090520 465376570 /nfs/dbraw/zinc/37/65/70/465376570.db2.gz UBUDIRKDIMZFIV-UHFFFAOYSA-N 1 2 329.367 2.707 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[C@@H](F)C3)CC2)cc1 ZINC000348039706 465388562 /nfs/dbraw/zinc/38/85/62/465388562.db2.gz LHIURNJHKKPEOF-SJORKVTESA-N 1 2 330.407 2.276 20 30 EEEDLO C[C@H](NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)C1CCCCC1 ZINC000329773487 465429931 /nfs/dbraw/zinc/42/99/31/465429931.db2.gz LLUDMZSOGHFHNN-HNNXBMFYSA-N 1 2 333.480 2.421 20 30 EEEDLO CC(=O)N1CC(C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)C1 ZINC000329980464 465496223 /nfs/dbraw/zinc/49/62/23/465496223.db2.gz LLDKXFKEDVFCJW-KBPBESRZSA-N 1 2 339.436 2.095 20 30 EEEDLO CC(=O)N1CC(C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)C1 ZINC000329980464 465496227 /nfs/dbraw/zinc/49/62/27/465496227.db2.gz LLDKXFKEDVFCJW-KBPBESRZSA-N 1 2 339.436 2.095 20 30 EEEDLO C=CC[N@H+](Cc1nnc(C)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343578939 465530405 /nfs/dbraw/zinc/53/04/05/465530405.db2.gz WQJDOWKZSYBSPA-LBPRGKRZSA-N 1 2 325.376 2.103 20 30 EEEDLO C=CC[N@@H+](Cc1nnc(C)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343578939 465530410 /nfs/dbraw/zinc/53/04/10/465530410.db2.gz WQJDOWKZSYBSPA-LBPRGKRZSA-N 1 2 325.376 2.103 20 30 EEEDLO N#CCCCOc1cccnc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597084464 468437623 /nfs/dbraw/zinc/43/76/23/468437623.db2.gz UKLRSGFRIOATLO-CYBMUJFWSA-N 1 2 325.372 2.162 20 30 EEEDLO N#Cc1ccc(-n2ccc(NC(=O)CCn3cc[nH+]c3)n2)c(Cl)c1 ZINC000360183546 465541667 /nfs/dbraw/zinc/54/16/67/465541667.db2.gz DVJIBIBJPVGTKP-UHFFFAOYSA-N 1 2 340.774 2.623 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)NC[C@H]1CCCO1)Cc1cnn(C(C)C)c1 ZINC000352915938 465569545 /nfs/dbraw/zinc/56/95/45/465569545.db2.gz QKUJSFSEZBDYNS-QGZVFWFLSA-N 1 2 334.464 2.137 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)NC[C@H]1CCCO1)Cc1cnn(C(C)C)c1 ZINC000352915938 465569552 /nfs/dbraw/zinc/56/95/52/465569552.db2.gz QKUJSFSEZBDYNS-QGZVFWFLSA-N 1 2 334.464 2.137 20 30 EEEDLO CN(C)c1[nH+]cccc1CNC(=O)NCC#Cc1cccc(F)c1 ZINC000338002697 465742928 /nfs/dbraw/zinc/74/29/28/465742928.db2.gz UJWRBTSHJQSAON-UHFFFAOYSA-N 1 2 326.375 2.138 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000348987820 465907142 /nfs/dbraw/zinc/90/71/42/465907142.db2.gz GOKXLFPJQRGGLL-OAHLLOKOSA-N 1 2 340.427 2.350 20 30 EEEDLO C#CCNC(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)nc1 ZINC000301227406 465924006 /nfs/dbraw/zinc/92/40/06/465924006.db2.gz GULWFUNMSFHPLC-UHFFFAOYSA-N 1 2 349.369 2.382 20 30 EEEDLO Cn1cc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cc1C#N ZINC000361494351 466043917 /nfs/dbraw/zinc/04/39/17/466043917.db2.gz YQUMWOKGPLTYEG-HXUWFJFHSA-N 1 2 348.450 2.446 20 30 EEEDLO Cn1cc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cc1C#N ZINC000361494351 466043924 /nfs/dbraw/zinc/04/39/24/466043924.db2.gz YQUMWOKGPLTYEG-HXUWFJFHSA-N 1 2 348.450 2.446 20 30 EEEDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000301869397 466051285 /nfs/dbraw/zinc/05/12/85/466051285.db2.gz JHRRUZGCVLTVSL-UHFFFAOYSA-N 1 2 338.411 2.182 20 30 EEEDLO CCOC(=O)C[N@H+]1CCCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000301869397 466051292 /nfs/dbraw/zinc/05/12/92/466051292.db2.gz JHRRUZGCVLTVSL-UHFFFAOYSA-N 1 2 338.411 2.182 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000346356887 466088330 /nfs/dbraw/zinc/08/83/30/466088330.db2.gz MGGOEWUGHJAYOC-XLIONFOSSA-N 1 2 346.471 2.063 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)s1 ZINC000362984290 466160263 /nfs/dbraw/zinc/16/02/63/466160263.db2.gz YUZXPOSAHXMPKS-UHFFFAOYSA-N 1 2 341.436 2.457 20 30 EEEDLO COc1cccc([C@H](NC(=O)c2cc(C#N)c[nH]2)c2[nH+]ccn2C)c1 ZINC000363123845 466233211 /nfs/dbraw/zinc/23/32/11/466233211.db2.gz JTXQQGHRWSJWTI-INIZCTEOSA-N 1 2 335.367 2.148 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1CCC[C@H]1C#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000331831936 466263090 /nfs/dbraw/zinc/26/30/90/466263090.db2.gz AUQWUQBMWXKCRM-RVKKMQEKSA-N 1 2 344.434 2.145 20 30 EEEDLO C=C(C)COCCNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000357880622 466284691 /nfs/dbraw/zinc/28/46/91/466284691.db2.gz KYYZCGCKXXVQJQ-UHFFFAOYSA-N 1 2 328.416 2.323 20 30 EEEDLO CC(C)(C#N)CNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000357902465 466304459 /nfs/dbraw/zinc/30/44/59/466304459.db2.gz APRJEFSNRFAYOF-UHFFFAOYSA-N 1 2 338.367 2.478 20 30 EEEDLO Cn1cc([C@H]2CN(CCCCC#N)CC[N@@H+]2CCCCC#N)cn1 ZINC000372352719 466323067 /nfs/dbraw/zinc/32/30/67/466323067.db2.gz YZVULMYZYPEWKK-GOSISDBHSA-N 1 2 328.464 2.467 20 30 EEEDLO Cn1cc([C@H]2CN(CCCCC#N)CC[N@H+]2CCCCC#N)cn1 ZINC000372352719 466323069 /nfs/dbraw/zinc/32/30/69/466323069.db2.gz YZVULMYZYPEWKK-GOSISDBHSA-N 1 2 328.464 2.467 20 30 EEEDLO CCc1c[nH+]ccc1NC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000340880084 466406544 /nfs/dbraw/zinc/40/65/44/466406544.db2.gz OYNLPWIKJNQVOY-KRWDZBQOSA-N 1 2 349.438 2.496 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2cc(OC)ccc2F)CC1 ZINC000361931667 466419040 /nfs/dbraw/zinc/41/90/40/466419040.db2.gz XTVDIQOPNFROTK-UHFFFAOYSA-N 1 2 347.434 2.157 20 30 EEEDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)CCOCCC#N ZINC000338898472 466468776 /nfs/dbraw/zinc/46/87/76/466468776.db2.gz FFWCMGBJNSRKFI-UHFFFAOYSA-N 1 2 325.796 2.149 20 30 EEEDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CCOCCC#N ZINC000338898472 466468780 /nfs/dbraw/zinc/46/87/80/466468780.db2.gz FFWCMGBJNSRKFI-UHFFFAOYSA-N 1 2 325.796 2.149 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000333379964 466617426 /nfs/dbraw/zinc/61/74/26/466617426.db2.gz AQZKCCVZAJMXQN-JZXOWHBKSA-N 1 2 346.475 2.365 20 30 EEEDLO C[C@@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000416598187 466743065 /nfs/dbraw/zinc/74/30/65/466743065.db2.gz UGPWOPIUESZLDO-MRXNPFEDSA-N 1 2 347.484 2.216 20 30 EEEDLO C[C@@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000416598187 466743069 /nfs/dbraw/zinc/74/30/69/466743069.db2.gz UGPWOPIUESZLDO-MRXNPFEDSA-N 1 2 347.484 2.216 20 30 EEEDLO Cc1nc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)sc1SCC#N ZINC000373733039 466903072 /nfs/dbraw/zinc/90/30/72/466903072.db2.gz JKNSSHQZIPYQMD-SNVBAGLBSA-N 1 2 333.442 2.465 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000365963699 467004719 /nfs/dbraw/zinc/00/47/19/467004719.db2.gz MQUKWOTXYQVTRH-CQSZACIVSA-N 1 2 330.413 2.158 20 30 EEEDLO COC(=O)[C@@H]1CN(c2cc(C)[nH+]cc2C#N)C[C@H]1c1ccc(O)cc1 ZINC000425272787 467091055 /nfs/dbraw/zinc/09/10/55/467091055.db2.gz XHVGRTABRZMVMT-DLBZAZTESA-N 1 2 337.379 2.360 20 30 EEEDLO COc1cccc(CN(C)C(=O)C[N@H+](C)CC(C)(C)C#N)c1OC ZINC000433287944 467314440 /nfs/dbraw/zinc/31/44/40/467314440.db2.gz MGUMDPGDRMDYNO-UHFFFAOYSA-N 1 2 333.432 2.144 20 30 EEEDLO COc1cccc(CN(C)C(=O)C[N@@H+](C)CC(C)(C)C#N)c1OC ZINC000433287944 467314443 /nfs/dbraw/zinc/31/44/43/467314443.db2.gz MGUMDPGDRMDYNO-UHFFFAOYSA-N 1 2 333.432 2.144 20 30 EEEDLO Cc1ccccc1-c1nnc(SC[C@H](O)C[N@H+](C)CCC#N)o1 ZINC000414089122 467375877 /nfs/dbraw/zinc/37/58/77/467375877.db2.gz AKMAWAGGPBLDQS-CYBMUJFWSA-N 1 2 332.429 2.344 20 30 EEEDLO Cc1ccccc1-c1nnc(SC[C@H](O)C[N@@H+](C)CCC#N)o1 ZINC000414089122 467375882 /nfs/dbraw/zinc/37/58/82/467375882.db2.gz AKMAWAGGPBLDQS-CYBMUJFWSA-N 1 2 332.429 2.344 20 30 EEEDLO C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000437401755 467556200 /nfs/dbraw/zinc/55/62/00/467556200.db2.gz BZMJVIHFRUBZEO-ZDUSSCGKSA-N 1 2 338.367 2.430 20 30 EEEDLO C=CC[C@@H](CC)NC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000441134078 467571710 /nfs/dbraw/zinc/57/17/10/467571710.db2.gz JCBPXYNTIHVDFD-KDOFPFPSSA-N 1 2 339.480 2.446 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000454294993 467582409 /nfs/dbraw/zinc/58/24/09/467582409.db2.gz ACPUYKHJRSFYEV-SJORKVTESA-N 1 2 340.427 2.117 20 30 EEEDLO CC[C@@H]1C[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000455376924 467672609 /nfs/dbraw/zinc/67/26/09/467672609.db2.gz OGLJVOGICGPGFV-MSOLQXFVSA-N 1 2 326.444 2.432 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000455532330 467688446 /nfs/dbraw/zinc/68/84/46/467688446.db2.gz FMDQCZKFAOZNJJ-CQSZACIVSA-N 1 2 327.363 2.130 20 30 EEEDLO C=CCC1(C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)CCCC1 ZINC000450091014 467775633 /nfs/dbraw/zinc/77/56/33/467775633.db2.gz WBDUFBSQTRREGM-QGZVFWFLSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)C1=O ZINC000492907931 467790469 /nfs/dbraw/zinc/79/04/69/467790469.db2.gz RLGJEGCWMCCNQW-QLFBSQMISA-N 1 2 337.464 2.103 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)C1=O ZINC000492907931 467790475 /nfs/dbraw/zinc/79/04/75/467790475.db2.gz RLGJEGCWMCCNQW-QLFBSQMISA-N 1 2 337.464 2.103 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 ZINC000493325476 467886997 /nfs/dbraw/zinc/88/69/97/467886997.db2.gz RRMRWQYMSCKUBY-LAQIPUCWSA-N 1 2 349.818 2.084 20 30 EEEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000493658528 467958596 /nfs/dbraw/zinc/95/85/96/467958596.db2.gz UPBGNNYKGOPQEK-HPFMTEOYSA-N 1 2 347.422 2.094 20 30 EEEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000493658528 467958598 /nfs/dbraw/zinc/95/85/98/467958598.db2.gz UPBGNNYKGOPQEK-HPFMTEOYSA-N 1 2 347.422 2.094 20 30 EEEDLO COc1ccc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)cc1C#N ZINC000488711884 468098143 /nfs/dbraw/zinc/09/81/43/468098143.db2.gz JBODIXVAMBYUIM-QGZVFWFLSA-N 1 2 342.443 2.145 20 30 EEEDLO COc1ccc(C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)cc1C#N ZINC000488711884 468098146 /nfs/dbraw/zinc/09/81/46/468098146.db2.gz JBODIXVAMBYUIM-QGZVFWFLSA-N 1 2 342.443 2.145 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000489015947 468116560 /nfs/dbraw/zinc/11/65/60/468116560.db2.gz QLWGACJRIYRKTN-UHFFFAOYSA-N 1 2 325.412 2.338 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC000575185754 468138069 /nfs/dbraw/zinc/13/80/69/468138069.db2.gz INPZZORBHMERTP-QGZVFWFLSA-N 1 2 343.818 2.371 20 30 EEEDLO Cc1cn(-c2c(F)cccc2F)nc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567356473 468169109 /nfs/dbraw/zinc/16/91/09/468169109.db2.gz MJMHLYLIPQOMAN-QGZVFWFLSA-N 1 2 347.369 2.033 20 30 EEEDLO C=CC[N@@H+](CCN1CCCS1(=O)=O)Cc1ccc(Cl)s1 ZINC000533306416 468187445 /nfs/dbraw/zinc/18/74/45/468187445.db2.gz CSAOHLSDPPGXJL-UHFFFAOYSA-N 1 2 334.894 2.425 20 30 EEEDLO C=CC[N@H+](CCN1CCCS1(=O)=O)Cc1ccc(Cl)s1 ZINC000533306416 468187451 /nfs/dbraw/zinc/18/74/51/468187451.db2.gz CSAOHLSDPPGXJL-UHFFFAOYSA-N 1 2 334.894 2.425 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)C2)nc1 ZINC000590119885 468216520 /nfs/dbraw/zinc/21/65/20/468216520.db2.gz AIJBWYBHMFHJGN-OAHLLOKOSA-N 1 2 348.366 2.286 20 30 EEEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)n2)c1 ZINC000551772250 468253241 /nfs/dbraw/zinc/25/32/41/468253241.db2.gz PUFUFIQXDRFMEW-HNNXBMFYSA-N 1 2 346.394 2.024 20 30 EEEDLO C#CC[N@@H+](CCCOc1cc(C)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000490865524 468258403 /nfs/dbraw/zinc/25/84/03/468258403.db2.gz CZWCHUFBLREPNL-KRWDZBQOSA-N 1 2 335.469 2.195 20 30 EEEDLO C#CC[N@H+](CCCOc1cc(C)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000490865524 468258407 /nfs/dbraw/zinc/25/84/07/468258407.db2.gz CZWCHUFBLREPNL-KRWDZBQOSA-N 1 2 335.469 2.195 20 30 EEEDLO CCc1nc(CN2CC[NH+](Cc3ccc(C#N)cn3)CC2)cs1 ZINC000582793836 468596831 /nfs/dbraw/zinc/59/68/31/468596831.db2.gz QDODLDLWVZEZGF-UHFFFAOYSA-N 1 2 327.457 2.290 20 30 EEEDLO Cn1c(C#N)ccc1C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000597640642 468623999 /nfs/dbraw/zinc/62/39/99/468623999.db2.gz MPPDPFYKZKTVDD-UHFFFAOYSA-N 1 2 343.456 2.131 20 30 EEEDLO CC(C)C[C@H](NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592147448 468639092 /nfs/dbraw/zinc/63/90/92/468639092.db2.gz MAQMTEQJOIZUNQ-HKUYNNGSSA-N 1 2 329.444 2.240 20 30 EEEDLO CC(C)C[C@H](NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592147448 468639094 /nfs/dbraw/zinc/63/90/94/468639094.db2.gz MAQMTEQJOIZUNQ-HKUYNNGSSA-N 1 2 329.444 2.240 20 30 EEEDLO C[C@H](NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1cccc2ccccc21 ZINC000592147425 468639202 /nfs/dbraw/zinc/63/92/02/468639202.db2.gz LQCYLUXGWGSXQU-MGPUTAFESA-N 1 2 337.423 2.367 20 30 EEEDLO C[C@H](NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1cccc2ccccc21 ZINC000592147425 468639207 /nfs/dbraw/zinc/63/92/07/468639207.db2.gz LQCYLUXGWGSXQU-MGPUTAFESA-N 1 2 337.423 2.367 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000592150085 468639334 /nfs/dbraw/zinc/63/93/34/468639334.db2.gz ATAPZYSMAXBPMR-ZDUSSCGKSA-N 1 2 329.278 2.464 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000592150085 468639341 /nfs/dbraw/zinc/63/93/41/468639341.db2.gz ATAPZYSMAXBPMR-ZDUSSCGKSA-N 1 2 329.278 2.464 20 30 EEEDLO N#Cc1ccc(Cl)c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000597708293 468646264 /nfs/dbraw/zinc/64/62/64/468646264.db2.gz XNTDRUDVCKQDFD-CQSZACIVSA-N 1 2 333.819 2.148 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1(C#N)CC1)c1ccccc1F ZINC000570624717 468667094 /nfs/dbraw/zinc/66/70/94/468667094.db2.gz PCFJHDWCKMHOLR-CQSZACIVSA-N 1 2 327.363 2.252 20 30 EEEDLO N#CCc1ccccc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000600965736 468699765 /nfs/dbraw/zinc/69/97/65/468699765.db2.gz AAPSEBZXZUGNFB-IBGZPJMESA-N 1 2 349.434 2.383 20 30 EEEDLO N#CCc1ccccc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000600965736 468699769 /nfs/dbraw/zinc/69/97/69/468699769.db2.gz AAPSEBZXZUGNFB-IBGZPJMESA-N 1 2 349.434 2.383 20 30 EEEDLO CCOC(=O)C[N@H+](CC)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000559565486 468745520 /nfs/dbraw/zinc/74/55/20/468745520.db2.gz VIXPWVBFTFSBPI-UHFFFAOYSA-N 1 2 341.415 2.244 20 30 EEEDLO CCOC(=O)C[N@@H+](CC)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000559565486 468745524 /nfs/dbraw/zinc/74/55/24/468745524.db2.gz VIXPWVBFTFSBPI-UHFFFAOYSA-N 1 2 341.415 2.244 20 30 EEEDLO CC(=O)c1ccc(OCCCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000571590242 468809008 /nfs/dbraw/zinc/80/90/08/468809008.db2.gz NPCMKHBTDYKABU-SFHVURJKSA-N 1 2 331.416 2.008 20 30 EEEDLO CCOc1ccc(N(CCC#N)C(=O)CN(C)Cc2[nH]cc[nH+]2)cc1 ZINC000595402466 468840132 /nfs/dbraw/zinc/84/01/32/468840132.db2.gz ZWDVTRHALYKIBW-UHFFFAOYSA-N 1 2 341.415 2.187 20 30 EEEDLO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595631165 468930917 /nfs/dbraw/zinc/93/09/17/468930917.db2.gz AENLVTVODVTPJP-ZDUSSCGKSA-N 1 2 334.489 2.435 20 30 EEEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000598622572 468937128 /nfs/dbraw/zinc/93/71/28/468937128.db2.gz PTWLEBXSYCMPIY-LEWSCRJBSA-N 1 2 338.354 2.090 20 30 EEEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000598622572 468937132 /nfs/dbraw/zinc/93/71/32/468937132.db2.gz PTWLEBXSYCMPIY-LEWSCRJBSA-N 1 2 338.354 2.090 20 30 EEEDLO N#C[C@H]1CC[C@@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000572477470 468938311 /nfs/dbraw/zinc/93/83/11/468938311.db2.gz ZRORHGJSPXUZQV-RRFJBIMHSA-N 1 2 348.472 2.113 20 30 EEEDLO Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000601646543 468949697 /nfs/dbraw/zinc/94/96/97/468949697.db2.gz DIFVKLLPLGTQOF-UHFFFAOYSA-N 1 2 338.411 2.487 20 30 EEEDLO Cc1c(F)c(Br)ccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000598837591 469019813 /nfs/dbraw/zinc/01/98/13/469019813.db2.gz XBBCFNWCEJHASJ-CQSZACIVSA-N 1 2 342.212 2.470 20 30 EEEDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)[nH]1 ZINC000602704613 469022646 /nfs/dbraw/zinc/02/26/46/469022646.db2.gz BGVWJBJFHLYPBH-UHFFFAOYSA-N 1 2 344.440 2.447 20 30 EEEDLO N#Cc1cc(Br)ccc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598946238 469061109 /nfs/dbraw/zinc/06/11/09/469061109.db2.gz GELKPPLTQDINCM-LBPRGKRZSA-N 1 2 345.200 2.262 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[NH+]1CCN(C(=O)C(C)(C)CC=C)CC1 ZINC000614909041 469092161 /nfs/dbraw/zinc/09/21/61/469092161.db2.gz OHERRCZDNDISSX-UHFFFAOYSA-N 1 2 349.519 2.451 20 30 EEEDLO CC(C)[C@H](NC(=O)C[NH2+][C@H](C)CC#N)c1ccc2c(c1)OCCO2 ZINC000602861050 469126219 /nfs/dbraw/zinc/12/62/19/469126219.db2.gz FFDFLAKJBMNRKY-ACJLOTCBSA-N 1 2 331.416 2.163 20 30 EEEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000602866203 469129049 /nfs/dbraw/zinc/12/90/49/469129049.db2.gz ZBVDXBXOMSJXNV-ZBFHGGJFSA-N 1 2 343.427 2.403 20 30 EEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000602867495 469129416 /nfs/dbraw/zinc/12/94/16/469129416.db2.gz CVFJKQAKZNVZDK-ZDUSSCGKSA-N 1 2 326.400 2.176 20 30 EEEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc(I)c1 ZINC000602869805 469131166 /nfs/dbraw/zinc/13/11/66/469131166.db2.gz PCAZCLRGSQDPRV-VIFPVBQESA-N 1 2 343.168 2.121 20 30 EEEDLO Cc1cc(N(C)[C@H]2CCCOC2)c(C#N)c(N(C)[C@@H]2CCCOC2)[nH+]1 ZINC000596231566 469214829 /nfs/dbraw/zinc/21/48/29/469214829.db2.gz QJPZYCJITNKPPL-JKSUJKDBSA-N 1 2 344.459 2.492 20 30 EEEDLO N#CCc1cccc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000602199105 469238407 /nfs/dbraw/zinc/23/84/07/469238407.db2.gz MYXWAMZYGQAPDC-UHFFFAOYSA-N 1 2 334.423 2.148 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000563940058 469247778 /nfs/dbraw/zinc/24/77/78/469247778.db2.gz DEBSVAJMMNGYNF-WMZOPIPTSA-N 1 2 347.459 2.307 20 30 EEEDLO COCC[N@H+](CCC#N)Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000602465614 469328399 /nfs/dbraw/zinc/32/83/99/469328399.db2.gz QIVBVEPASIQBHX-UHFFFAOYSA-N 1 2 328.416 2.302 20 30 EEEDLO COCC[N@@H+](CCC#N)Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000602465614 469328405 /nfs/dbraw/zinc/32/84/05/469328405.db2.gz QIVBVEPASIQBHX-UHFFFAOYSA-N 1 2 328.416 2.302 20 30 EEEDLO Cc1ncc([C@H](C)[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c(C)n1 ZINC000602488414 469337768 /nfs/dbraw/zinc/33/77/68/469337768.db2.gz XGJOZRUOBMGDCP-OCCSQVGLSA-N 1 2 337.431 2.027 20 30 EEEDLO Cc1ncc([C@H](C)[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c(C)n1 ZINC000602488414 469337770 /nfs/dbraw/zinc/33/77/70/469337770.db2.gz XGJOZRUOBMGDCP-OCCSQVGLSA-N 1 2 337.431 2.027 20 30 EEEDLO CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000599700558 469342930 /nfs/dbraw/zinc/34/29/30/469342930.db2.gz HQYIJSPBDAVFDX-OAHLLOKOSA-N 1 2 348.834 2.141 20 30 EEEDLO CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000599700558 469342933 /nfs/dbraw/zinc/34/29/33/469342933.db2.gz HQYIJSPBDAVFDX-OAHLLOKOSA-N 1 2 348.834 2.141 20 30 EEEDLO COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612162976 469409047 /nfs/dbraw/zinc/40/90/47/469409047.db2.gz SBAMJRLKBBIIGP-KUHUBIRLSA-N 1 2 343.427 2.104 20 30 EEEDLO COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612162976 469409050 /nfs/dbraw/zinc/40/90/50/469409050.db2.gz SBAMJRLKBBIIGP-KUHUBIRLSA-N 1 2 343.427 2.104 20 30 EEEDLO Cc1nccc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000603833945 469434880 /nfs/dbraw/zinc/43/48/80/469434880.db2.gz AERULAZJTGLMFN-MRXNPFEDSA-N 1 2 335.411 2.475 20 30 EEEDLO Cc1nccc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000603833945 469434885 /nfs/dbraw/zinc/43/48/85/469434885.db2.gz AERULAZJTGLMFN-MRXNPFEDSA-N 1 2 335.411 2.475 20 30 EEEDLO Cc1[nH+]c2ccc(C(=O)N3CCN([C@H](C#N)C(C)C)CC3)cc2n1C ZINC000619433404 469604483 /nfs/dbraw/zinc/60/44/83/469604483.db2.gz ZWIDLFYPUCSICS-GOSISDBHSA-N 1 2 339.443 2.188 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000619719290 469669606 /nfs/dbraw/zinc/66/96/06/469669606.db2.gz JXMUMVBXVSRYSA-XJKSGUPXSA-N 1 2 349.406 2.387 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000619719290 469669610 /nfs/dbraw/zinc/66/96/10/469669610.db2.gz JXMUMVBXVSRYSA-XJKSGUPXSA-N 1 2 349.406 2.387 20 30 EEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000619718844 469670152 /nfs/dbraw/zinc/67/01/52/469670152.db2.gz CGVPQULUTPKKOB-OAHLLOKOSA-N 1 2 332.400 2.073 20 30 EEEDLO Cc1c(-c2cc(C[NH+]3CCN([C@H](C#N)C(C)C)CC3)on2)cnn1C ZINC000613450195 469714419 /nfs/dbraw/zinc/71/44/19/469714419.db2.gz URNJQLBFIJAFHD-GOSISDBHSA-N 1 2 342.447 2.049 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCO[C@@H](c2ccccc2)C1)C1CC1 ZINC000609234232 469904748 /nfs/dbraw/zinc/90/47/48/469904748.db2.gz NYXJFWXGTZNYLY-IEBWSBKVSA-N 1 2 327.428 2.258 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCO[C@@H](c2ccccc2)C1)C1CC1 ZINC000609234232 469904753 /nfs/dbraw/zinc/90/47/53/469904753.db2.gz NYXJFWXGTZNYLY-IEBWSBKVSA-N 1 2 327.428 2.258 20 30 EEEDLO COc1cccc([C@H](NC(=O)c2ccc(C#N)cn2)c2[nH+]ccn2C)c1 ZINC000609343259 469921982 /nfs/dbraw/zinc/92/19/82/469921982.db2.gz OQCBUEBYDLWKSQ-KRWDZBQOSA-N 1 2 347.378 2.215 20 30 EEEDLO C=CCCn1cc(C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)nn1 ZINC000657304869 471091173 /nfs/dbraw/zinc/09/11/73/471091173.db2.gz SODRDNIHAJZAIC-ZDUSSCGKSA-N 1 2 328.416 2.476 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)nn1 ZINC000657425403 471133371 /nfs/dbraw/zinc/13/33/71/471133371.db2.gz OXYKCTGLZGHEAJ-LBPRGKRZSA-N 1 2 347.369 2.028 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2c(F)cccc2Br)nn1 ZINC000641131523 471217471 /nfs/dbraw/zinc/21/74/71/471217471.db2.gz KNWXYNOCQAVWCA-UHFFFAOYSA-N 1 2 337.196 2.341 20 30 EEEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1[nH+]ccn1C ZINC000673738747 485513450 /nfs/dbraw/zinc/51/34/50/485513450.db2.gz FTWBCPGTIRRLFA-UHFFFAOYSA-N 1 2 337.383 2.101 20 30 EEEDLO C=CCc1cc(C[NH+]2CCC(S(C)(=O)=O)CC2)cc(OC)c1O ZINC000678278137 486608751 /nfs/dbraw/zinc/60/87/51/486608751.db2.gz MZICBXBGUVFCRB-UHFFFAOYSA-N 1 2 339.457 2.138 20 30 EEEDLO CC(C)n1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000265091547 535083556 /nfs/dbraw/zinc/08/35/56/535083556.db2.gz ZUHJLGYGHBKSTF-UHFFFAOYSA-N 1 2 337.427 2.294 20 30 EEEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726253418 576249270 /nfs/dbraw/zinc/24/92/70/576249270.db2.gz NCJBJHUPYUNEFU-MRXNPFEDSA-N 1 2 347.459 2.114 20 30 EEEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726253418 576249271 /nfs/dbraw/zinc/24/92/71/576249271.db2.gz NCJBJHUPYUNEFU-MRXNPFEDSA-N 1 2 347.459 2.114 20 30 EEEDLO CCCC[C@H]1CCCC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000727253703 576415548 /nfs/dbraw/zinc/41/55/48/576415548.db2.gz GSGVTQUHJALEBF-AWEZNQCLSA-N 1 2 326.510 2.129 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)cn1 ZINC000728803134 576530914 /nfs/dbraw/zinc/53/09/14/576530914.db2.gz QDZTYUBSCNXAIV-QGZVFWFLSA-N 1 2 334.354 2.455 20 30 EEEDLO C=CCN1CC(=O)N(c2cccc([C@H](C)[NH+]3CCOCC3)c2)C1=O ZINC000771997569 577244136 /nfs/dbraw/zinc/24/41/36/577244136.db2.gz IGSTUCHIKALLFC-AWEZNQCLSA-N 1 2 329.400 2.034 20 30 EEEDLO CC(C)(CNN=C1CCCC[C@@H]1[NH+]1CCCCC1)S(C)(=O)=O ZINC000774478353 577400523 /nfs/dbraw/zinc/40/05/23/577400523.db2.gz QKJNTELELAYUFG-HNNXBMFYSA-N 1 2 329.510 2.184 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2c(OC)ccc(SC)c2OC)CC1 ZINC000775686958 577442870 /nfs/dbraw/zinc/44/28/70/577442870.db2.gz QXBITRLRHSQPNY-UHFFFAOYSA-N 1 2 348.468 2.207 20 30 EEEDLO CCOC1CC(C/N=C\c2c(O)cccc2OC)([NH+]2CCOCC2)C1 ZINC000766283996 577516596 /nfs/dbraw/zinc/51/65/96/577516596.db2.gz QKIRTTHAMPUTCF-MOSHPQCFSA-N 1 2 348.443 2.090 20 30 EEEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@@H](OCC4CC4)C3)c1=O)CCC2 ZINC000766634607 577522481 /nfs/dbraw/zinc/52/24/81/577522481.db2.gz MTOBXLPESKXQLI-MRXNPFEDSA-N 1 2 327.428 2.057 20 30 EEEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@@H](OCC4CC4)C3)c1=O)CCC2 ZINC000766634607 577522482 /nfs/dbraw/zinc/52/24/82/577522482.db2.gz MTOBXLPESKXQLI-MRXNPFEDSA-N 1 2 327.428 2.057 20 30 EEEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)N3CCCCC3)CC2)cc1 ZINC000768226414 577552347 /nfs/dbraw/zinc/55/23/47/577552347.db2.gz NZVTUISZKXVAJK-UHFFFAOYSA-N 1 2 341.455 2.422 20 30 EEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000769976311 577588330 /nfs/dbraw/zinc/58/83/30/577588330.db2.gz YXIDPKAPYADGMJ-CQSZACIVSA-N 1 2 327.428 2.251 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000769976311 577588331 /nfs/dbraw/zinc/58/83/31/577588331.db2.gz YXIDPKAPYADGMJ-CQSZACIVSA-N 1 2 327.428 2.251 20 30 EEEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1ccc2c(c1)OCCO2 ZINC000761855493 577690213 /nfs/dbraw/zinc/69/02/13/577690213.db2.gz OQVCGRPRQRGGEQ-UHFFFAOYSA-N 1 2 336.355 2.270 20 30 EEEDLO CN(C)C(=O)c1ccc(C=NNc2[nH]c3cc(F)c(F)cc3[nH+]2)[nH]1 ZINC000752160945 577766763 /nfs/dbraw/zinc/76/67/63/577766763.db2.gz NTNYVDHJRBVCBS-UHFFFAOYSA-N 1 2 332.314 2.317 20 30 EEEDLO Cn1cncc1CO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000753118789 577781955 /nfs/dbraw/zinc/78/19/55/577781955.db2.gz UXWYANCOODLUFK-UHFFFAOYSA-N 1 2 337.383 2.231 20 30 EEEDLO NC(=[NH+]OCC(=O)Nc1c(F)cccc1F)c1ccc2c(c1)CCO2 ZINC000753828961 577794732 /nfs/dbraw/zinc/79/47/32/577794732.db2.gz ATXHGENEVHZYAU-UHFFFAOYSA-N 1 2 347.321 2.175 20 30 EEEDLO Oc1c(Br)cccc1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753935077 577796738 /nfs/dbraw/zinc/79/67/38/577796738.db2.gz MKEKMXXNHPHZJL-TXEJJXNPSA-N 1 2 337.221 2.349 20 30 EEEDLO Clc1ccc(N=NCc2c(-n3cc[nH+]c3)nc3ccccn32)nn1 ZINC000755480030 577825639 /nfs/dbraw/zinc/82/56/39/577825639.db2.gz ASCRGVLPWVLBRC-UHFFFAOYSA-N 1 2 338.762 2.409 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2cc(C#N)cs2)C1 ZINC000758028483 577868533 /nfs/dbraw/zinc/86/85/33/577868533.db2.gz GBPMBCLKJLSPGQ-OCCSQVGLSA-N 1 2 332.429 2.468 20 30 EEEDLO C=CCNC(=S)NN=C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000741455585 578119828 /nfs/dbraw/zinc/11/98/28/578119828.db2.gz CWJYDANPFJPRQI-UHFFFAOYSA-N 1 2 331.489 2.359 20 30 EEEDLO C=CCOc1ccccc1C(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000969119730 674596369 /nfs/dbraw/zinc/59/63/69/674596369.db2.gz PTBUQGJCSUSQRW-CYBMUJFWSA-N 1 2 344.440 2.107 20 30 EEEDLO Cc1ocnc1C(=O)N[C@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969361798 674886645 /nfs/dbraw/zinc/88/66/45/674886645.db2.gz MKBWKXWCGLESPD-LLVKDONJSA-N 1 2 342.374 2.244 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cn(C)nc2-c2ccco2)C1 ZINC000969648485 675145184 /nfs/dbraw/zinc/14/51/84/675145184.db2.gz JSCJSXORFAWBNP-LBPRGKRZSA-N 1 2 348.834 2.483 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnnn2-c2ccccc2)C1 ZINC000970500350 675939862 /nfs/dbraw/zinc/93/98/62/675939862.db2.gz CPKXKXSPWOQJHK-ZDUSSCGKSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000970512238 675950393 /nfs/dbraw/zinc/95/03/93/675950393.db2.gz GJHHWACDWNFAHC-BZNIZROVSA-N 1 2 338.810 2.318 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC000970687316 676077898 /nfs/dbraw/zinc/07/78/98/676077898.db2.gz YNYRWTQCQQLPJP-GFCCVEGCSA-N 1 2 345.834 2.274 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c(Cl)nn(C)c2C)C1 ZINC000970810795 676166676 /nfs/dbraw/zinc/16/66/76/676166676.db2.gz QPSUZLHDFLJDAQ-SECBINFHSA-N 1 2 331.247 2.185 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH2+]Cc3nc(CC(C)C)no3)C2)C1 ZINC000969877810 675276324 /nfs/dbraw/zinc/27/63/24/675276324.db2.gz IXOKLIMVEJFGKK-CQSZACIVSA-N 1 2 332.448 2.315 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc3oc(=O)[nH]c3c2)C1 ZINC000969890778 675286908 /nfs/dbraw/zinc/28/69/08/675286908.db2.gz LRXOTDFHLADCMM-JTQLQIEISA-N 1 2 335.791 2.336 20 30 EEEDLO C[C@@H](NC(=O)c1cnco1)C1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC000970231415 675738475 /nfs/dbraw/zinc/73/84/75/675738475.db2.gz LSAFITVZMBWBQL-CYBMUJFWSA-N 1 2 343.814 2.430 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c[nH]nc2[C@H]2CCCO2)C1 ZINC000970324131 675787381 /nfs/dbraw/zinc/78/73/81/675787381.db2.gz STQDSGBYGMGOMD-BXUZGUMPSA-N 1 2 338.839 2.064 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001067501945 676383344 /nfs/dbraw/zinc/38/33/44/676383344.db2.gz ZZVZHUAGEUXJFG-HUUCEWRRSA-N 1 2 346.475 2.422 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001067501945 676383346 /nfs/dbraw/zinc/38/33/46/676383346.db2.gz ZZVZHUAGEUXJFG-HUUCEWRRSA-N 1 2 346.475 2.422 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)C2=COCCC2)C1 ZINC000971194868 676438689 /nfs/dbraw/zinc/43/86/89/676438689.db2.gz PLWDFNAEWWJVSW-SFHVURJKSA-N 1 2 343.402 2.424 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)C2=COCCC2)C1 ZINC000971194868 676438690 /nfs/dbraw/zinc/43/86/90/676438690.db2.gz PLWDFNAEWWJVSW-SFHVURJKSA-N 1 2 343.402 2.424 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)nc2ccccc12 ZINC000971221851 676445155 /nfs/dbraw/zinc/44/51/55/676445155.db2.gz RRSYWVVQYAFNOB-ZFWWWQNUSA-N 1 2 337.427 2.131 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)nc2ccccc12 ZINC000971221851 676445158 /nfs/dbraw/zinc/44/51/58/676445158.db2.gz RRSYWVVQYAFNOB-ZFWWWQNUSA-N 1 2 337.427 2.131 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](OC)C3CCCCC3)C2)C1 ZINC000972702622 679685458 /nfs/dbraw/zinc/68/54/58/679685458.db2.gz LIHBXGQASPYZMN-IEBWSBKVSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](OC)C3CCCCC3)C2)C1 ZINC000972702622 679685460 /nfs/dbraw/zinc/68/54/60/679685460.db2.gz LIHBXGQASPYZMN-IEBWSBKVSA-N 1 2 336.476 2.071 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C(F)F ZINC000972711098 679708844 /nfs/dbraw/zinc/70/88/44/679708844.db2.gz ASBXGZKGRIUKNX-CYBMUJFWSA-N 1 2 325.334 2.289 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C(F)F ZINC000972711098 679708846 /nfs/dbraw/zinc/70/88/46/679708846.db2.gz ASBXGZKGRIUKNX-CYBMUJFWSA-N 1 2 325.334 2.289 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC(O)(CNc2cc[nH+]c(C)n2)CC1 ZINC001067485060 678436413 /nfs/dbraw/zinc/43/64/13/678436413.db2.gz KRYIRJWDVOVRRG-KRWDZBQOSA-N 1 2 332.448 2.153 20 30 EEEDLO CC(C)C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC000972263617 678465538 /nfs/dbraw/zinc/46/55/38/678465538.db2.gz BBXFCXOCQJHZML-IBGZPJMESA-N 1 2 345.418 2.157 20 30 EEEDLO CC(C)C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1cc(C#N)ccc1F)CCO2 ZINC000972263617 678465541 /nfs/dbraw/zinc/46/55/41/678465541.db2.gz BBXFCXOCQJHZML-IBGZPJMESA-N 1 2 345.418 2.157 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc(CC(C)C)[nH]3)C2)C1 ZINC000972381251 678628098 /nfs/dbraw/zinc/62/80/98/678628098.db2.gz NYRPLPUMYXYVER-LJQANCHMSA-N 1 2 346.475 2.101 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc(CC(C)C)[nH]3)C2)C1 ZINC000972381251 678628101 /nfs/dbraw/zinc/62/81/01/678628101.db2.gz NYRPLPUMYXYVER-LJQANCHMSA-N 1 2 346.475 2.101 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)c(F)cc3F)C2)C1 ZINC000972424156 678722621 /nfs/dbraw/zinc/72/26/21/678722621.db2.gz GLDDRZORDNIPND-LJQANCHMSA-N 1 2 348.393 2.213 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)c(F)cc3F)C2)C1 ZINC000972424156 678722625 /nfs/dbraw/zinc/72/26/25/678722625.db2.gz GLDDRZORDNIPND-LJQANCHMSA-N 1 2 348.393 2.213 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)n([C@@H](C)CC)n3)C2)C1 ZINC000972443625 678752629 /nfs/dbraw/zinc/75/26/29/678752629.db2.gz KNKULVVEGSBMOE-HNAYVOBHSA-N 1 2 346.475 2.265 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)n([C@@H](C)CC)n3)C2)C1 ZINC000972443625 678752633 /nfs/dbraw/zinc/75/26/33/678752633.db2.gz KNKULVVEGSBMOE-HNAYVOBHSA-N 1 2 346.475 2.265 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cccc(C(F)F)c3)C2)C1 ZINC000972463136 678798548 /nfs/dbraw/zinc/79/85/48/678798548.db2.gz PLXFOTIFZMTZFS-IBGZPJMESA-N 1 2 348.393 2.103 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cccc(C(F)F)c3)C2)C1 ZINC000972463136 678798551 /nfs/dbraw/zinc/79/85/51/678798551.db2.gz PLXFOTIFZMTZFS-IBGZPJMESA-N 1 2 348.393 2.103 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3c(C)cc(C)cc3C)C2)C1 ZINC000972534799 679201817 /nfs/dbraw/zinc/20/18/17/679201817.db2.gz PWIRFRKJYSJPLL-OAQYLSRUSA-N 1 2 340.467 2.091 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3c(C)cc(C)cc3C)C2)C1 ZINC000972534799 679201818 /nfs/dbraw/zinc/20/18/18/679201818.db2.gz PWIRFRKJYSJPLL-OAQYLSRUSA-N 1 2 340.467 2.091 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC001023415073 679298277 /nfs/dbraw/zinc/29/82/77/679298277.db2.gz HQNCDVBLZZSWBS-MRXNPFEDSA-N 1 2 339.443 2.106 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC001023415073 679298278 /nfs/dbraw/zinc/29/82/78/679298278.db2.gz HQNCDVBLZZSWBS-MRXNPFEDSA-N 1 2 339.443 2.106 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)OC3CCCC3)C2)C1 ZINC000972577844 679341778 /nfs/dbraw/zinc/34/17/78/679341778.db2.gz PBTYVWGWGLYLRK-ICSRJNTNSA-N 1 2 348.487 2.051 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)OC3CCCC3)C2)C1 ZINC000972577844 679341781 /nfs/dbraw/zinc/34/17/81/679341781.db2.gz PBTYVWGWGLYLRK-ICSRJNTNSA-N 1 2 348.487 2.051 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cnn(CC)n3)C2)CC1 ZINC001023572574 679385875 /nfs/dbraw/zinc/38/58/75/679385875.db2.gz IBYBDWOYYXUYTC-INIZCTEOSA-N 1 2 345.491 2.373 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+](Cc3cnn(CC)n3)C2)CC1 ZINC001023572574 679385879 /nfs/dbraw/zinc/38/58/79/679385879.db2.gz IBYBDWOYYXUYTC-INIZCTEOSA-N 1 2 345.491 2.373 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ncsc3C(C)C)C2)C1 ZINC000972633928 679469389 /nfs/dbraw/zinc/46/93/89/679469389.db2.gz IXPQRWJCTZSWLM-GOSISDBHSA-N 1 2 347.484 2.207 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ncsc3C(C)C)C2)C1 ZINC000972633928 679469392 /nfs/dbraw/zinc/46/93/92/679469392.db2.gz IXPQRWJCTZSWLM-GOSISDBHSA-N 1 2 347.484 2.207 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)c3ccccc3)C2)C1 ZINC000972663661 679532770 /nfs/dbraw/zinc/53/27/70/679532770.db2.gz AFHJYZQEXOZBTR-FXAWDEMLSA-N 1 2 326.440 2.117 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)c3ccccc3)C2)C1 ZINC000972663661 679532774 /nfs/dbraw/zinc/53/27/74/679532774.db2.gz AFHJYZQEXOZBTR-FXAWDEMLSA-N 1 2 326.440 2.117 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3ccc4ccccc43)C2)C1 ZINC000972673733 679581284 /nfs/dbraw/zinc/58/12/84/679581284.db2.gz LFWUROYUFXKMQX-FQEVSTJZSA-N 1 2 339.439 2.131 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3ccc4ccccc43)C2)C1 ZINC000972673733 679581286 /nfs/dbraw/zinc/58/12/86/679581286.db2.gz LFWUROYUFXKMQX-FQEVSTJZSA-N 1 2 339.439 2.131 20 30 EEEDLO Cn1cc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)cn1 ZINC001024322016 679868669 /nfs/dbraw/zinc/86/86/69/679868669.db2.gz NWVZETCBWQELAD-GOSISDBHSA-N 1 2 337.427 2.076 20 30 EEEDLO Cn1cc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)cn1 ZINC001024322016 679868670 /nfs/dbraw/zinc/86/86/70/679868670.db2.gz NWVZETCBWQELAD-GOSISDBHSA-N 1 2 337.427 2.076 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc3c(c2)nnn3C)C(C)(C)C1 ZINC000974735139 685355989 /nfs/dbraw/zinc/35/59/89/685355989.db2.gz MAAIJNDXMCYGBF-HNNXBMFYSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc3c(c2)nnn3C)C(C)(C)C1 ZINC000974735139 685355996 /nfs/dbraw/zinc/35/59/96/685355996.db2.gz MAAIJNDXMCYGBF-HNNXBMFYSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnn2ccc(C)nc12 ZINC001024765040 681425876 /nfs/dbraw/zinc/42/58/76/681425876.db2.gz ZXCMWVIIXRZHRI-CQSZACIVSA-N 1 2 347.850 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn2ccc(C)nc12 ZINC001024765040 681425880 /nfs/dbraw/zinc/42/58/80/681425880.db2.gz ZXCMWVIIXRZHRI-CQSZACIVSA-N 1 2 347.850 2.375 20 30 EEEDLO Cc1nonc1C(=O)NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC001024824469 681474272 /nfs/dbraw/zinc/47/42/72/681474272.db2.gz QERQHDHCWMKSEZ-KRWDZBQOSA-N 1 2 338.411 2.014 20 30 EEEDLO Cc1nonc1C(=O)NC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC001024824469 681474273 /nfs/dbraw/zinc/47/42/73/681474273.db2.gz QERQHDHCWMKSEZ-KRWDZBQOSA-N 1 2 338.411 2.014 20 30 EEEDLO C[C@H]1C[C@H](C(=O)N2CCC[N@H+](Cc3ccccc3C#N)CC2)CCO1 ZINC000982966757 681586133 /nfs/dbraw/zinc/58/61/33/681586133.db2.gz LDKOJMJKRCURHB-DLBZAZTESA-N 1 2 341.455 2.408 20 30 EEEDLO C[C@H]1C[C@H](C(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)CCO1 ZINC000982966757 681586138 /nfs/dbraw/zinc/58/61/38/681586138.db2.gz LDKOJMJKRCURHB-DLBZAZTESA-N 1 2 341.455 2.408 20 30 EEEDLO CC(C)(C(=O)N1CCCC[C@@H]1[C@H]1CCCN1CC#N)c1c[nH+]c[nH]1 ZINC001025289272 682398272 /nfs/dbraw/zinc/39/82/72/682398272.db2.gz PKFYBLKMYYIQDA-HUUCEWRRSA-N 1 2 329.448 2.056 20 30 EEEDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCN(CC#N)C1 ZINC001025493512 682919493 /nfs/dbraw/zinc/91/94/93/682919493.db2.gz OUAZNXGLKWQNEN-RDJZCZTQSA-N 1 2 337.427 2.226 20 30 EEEDLO C=C(C)C[N@@H+]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000983600180 682949774 /nfs/dbraw/zinc/94/97/74/682949774.db2.gz RIOUDNWIJOAXGX-UHFFFAOYSA-N 1 2 325.416 2.196 20 30 EEEDLO C=C(C)C[N@H+]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000983600180 682949776 /nfs/dbraw/zinc/94/97/76/682949776.db2.gz RIOUDNWIJOAXGX-UHFFFAOYSA-N 1 2 325.416 2.196 20 30 EEEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)NCc1cc(F)cc(F)c1 ZINC000174118247 683214830 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DXNIOYSUVAAAEJ-KDURUIRLSA-N 1 2 348.450 2.069 20 30 EEEDLO C=CCCC(=O)NCc1ccccc1CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001060484412 683721847 /nfs/dbraw/zinc/72/18/47/683721847.db2.gz FSOQFXUQATVMAB-UHFFFAOYSA-N 1 2 340.427 2.193 20 30 EEEDLO C[C@H]1C[C@H]1CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001026007895 683747451 /nfs/dbraw/zinc/74/74/51/683747451.db2.gz KZKZCZTULKDKPI-JTQJOUJLSA-N 1 2 327.403 2.290 20 30 EEEDLO C[C@H]1C[C@H]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001026007895 683747454 /nfs/dbraw/zinc/74/74/54/683747454.db2.gz KZKZCZTULKDKPI-JTQJOUJLSA-N 1 2 327.403 2.290 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2ccon2)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000993056819 683812114 /nfs/dbraw/zinc/81/21/14/683812114.db2.gz XJXGZQMOOGGMET-MLGOLLRUSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2ccon2)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000993056819 683812119 /nfs/dbraw/zinc/81/21/19/683812119.db2.gz XJXGZQMOOGGMET-MLGOLLRUSA-N 1 2 342.374 2.468 20 30 EEEDLO 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/nfs/dbraw/zinc/80/02/42/684800242.db2.gz ACLXSOLZAALYIO-HUUCEWRRSA-N 1 2 331.441 2.080 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C(C)(C)C1 ZINC000975042105 686066169 /nfs/dbraw/zinc/06/61/69/686066169.db2.gz RMFQVRDFBCFLMX-NFAWXSAZSA-N 1 2 336.867 2.103 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C(C)(C)C1 ZINC000975042105 686066178 /nfs/dbraw/zinc/06/61/78/686066178.db2.gz RMFQVRDFBCFLMX-NFAWXSAZSA-N 1 2 336.867 2.103 20 30 EEEDLO O=C(c1ccc(=O)[nH]c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029572547 686244043 /nfs/dbraw/zinc/24/40/43/686244043.db2.gz LEPGKSURLLXJRY-KDURUIRLSA-N 1 2 347.418 2.128 20 30 EEEDLO O=C(c1ccc(=O)[nH]c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029572547 686244048 /nfs/dbraw/zinc/24/40/48/686244048.db2.gz LEPGKSURLLXJRY-KDURUIRLSA-N 1 2 347.418 2.128 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nnc(C)[nH]2)C1 ZINC001029748575 686994154 /nfs/dbraw/zinc/99/41/54/686994154.db2.gz 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C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2cc(C)on2)C1 ZINC001027613580 693520611 /nfs/dbraw/zinc/52/06/11/693520611.db2.gz ZCWRDUWHGUPCIP-BZSNNMDCSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(C)on2)C1 ZINC001027613580 693520615 /nfs/dbraw/zinc/52/06/15/693520615.db2.gz ZCWRDUWHGUPCIP-BZSNNMDCSA-N 1 2 347.459 2.387 20 30 EEEDLO CC(C)n1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)n1 ZINC001038761987 693677599 /nfs/dbraw/zinc/67/75/99/693677599.db2.gz PRVWYZRCBFQLHT-KRWDZBQOSA-N 1 2 337.427 2.340 20 30 EEEDLO CC(C)n1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)n1 ZINC001038761987 693677602 /nfs/dbraw/zinc/67/76/02/693677602.db2.gz PRVWYZRCBFQLHT-KRWDZBQOSA-N 1 2 337.427 2.340 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000943571823 1192362465 /nfs/dbraw/zinc/36/24/65/1192362465.db2.gz PSUDJFQHIIJPRW-AWEZNQCLSA-N 1 2 332.448 2.052 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1c[nH]c2cccnc12 ZINC001032130525 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JQWWBFYDDZMJTH-AWEZNQCLSA-N 1 2 328.338 2.039 20 30 EEEDLO Cc1nocc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088833420 1188871281 /nfs/dbraw/zinc/87/12/81/1188871281.db2.gz QVDJWMUPLPFZFV-PXAZEXFGSA-N 1 2 342.374 2.387 20 30 EEEDLO Cc1nocc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088833420 1188871283 /nfs/dbraw/zinc/87/12/83/1188871283.db2.gz QVDJWMUPLPFZFV-PXAZEXFGSA-N 1 2 342.374 2.387 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COc4ccccc4O3)[C@@H]2C1 ZINC001076528573 1188969704 /nfs/dbraw/zinc/96/97/04/1188969704.db2.gz NRJPYSRQUSPRPM-VBQJREDUSA-N 1 2 348.830 2.112 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COc4ccccc4O3)[C@@H]2C1 ZINC001076528573 1188969707 /nfs/dbraw/zinc/96/97/07/1188969707.db2.gz NRJPYSRQUSPRPM-VBQJREDUSA-N 1 2 348.830 2.112 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001076691015 1189110906 /nfs/dbraw/zinc/11/09/06/1189110906.db2.gz FSOFVRHIUUJCOQ-GJZGRUSLSA-N 1 2 346.475 2.059 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001076811345 1189176349 /nfs/dbraw/zinc/17/63/49/1189176349.db2.gz KYXQVMCQWWPHIP-RTBURBONSA-N 1 2 339.439 2.110 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001076811345 1189176352 /nfs/dbraw/zinc/17/63/52/1189176352.db2.gz KYXQVMCQWWPHIP-RTBURBONSA-N 1 2 339.439 2.110 20 30 EEEDLO CC(C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O)=C1CCCC1 ZINC001076864682 1189206560 /nfs/dbraw/zinc/20/65/60/1189206560.db2.gz SSSJIMQQXJHCFH-RTBURBONSA-N 1 2 339.439 2.110 20 30 EEEDLO CC(C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O)=C1CCCC1 ZINC001076864682 1189206565 /nfs/dbraw/zinc/20/65/65/1189206565.db2.gz SSSJIMQQXJHCFH-RTBURBONSA-N 1 2 339.439 2.110 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3ccc(C)o3)CC2)C1 ZINC001105684612 1189244387 /nfs/dbraw/zinc/24/43/87/1189244387.db2.gz BSBWSDNENMFTRB-UHFFFAOYSA-N 1 2 348.443 2.096 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001105688841 1189335955 /nfs/dbraw/zinc/33/59/55/1189335955.db2.gz IHLWQKYDAZDJLZ-ZIAGYGMSSA-N 1 2 346.479 2.155 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001011393933 1224158586 /nfs/dbraw/zinc/15/85/86/1224158586.db2.gz CGJMZXGBHUCQNW-UHFFFAOYSA-N 1 2 338.411 2.204 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c(F)cccc1F)C2 ZINC001272973655 1194282224 /nfs/dbraw/zinc/28/22/24/1194282224.db2.gz GNHQPOPZACMFPC-SFHVURJKSA-N 1 2 336.382 2.202 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(F)cccc1F)C2 ZINC001272973655 1194282228 /nfs/dbraw/zinc/28/22/28/1194282228.db2.gz GNHQPOPZACMFPC-SFHVURJKSA-N 1 2 336.382 2.202 20 30 EEEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(F)cc1F)C2 ZINC001272974320 1194283940 /nfs/dbraw/zinc/28/39/40/1194283940.db2.gz OIZNRBXJBXUQFL-GOSISDBHSA-N 1 2 336.382 2.202 20 30 EEEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(F)cc1F)C2 ZINC001272974320 1194283943 /nfs/dbraw/zinc/28/39/43/1194283943.db2.gz OIZNRBXJBXUQFL-GOSISDBHSA-N 1 2 336.382 2.202 20 30 EEEDLO CN(C(=O)c1cn[nH]c1)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001005142309 1194508945 /nfs/dbraw/zinc/50/89/45/1194508945.db2.gz QRAWOHSAODCFCP-UHFFFAOYSA-N 1 2 341.390 2.157 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)C[C@@H]2CCOC2)CC1 ZINC001005198321 1194696583 /nfs/dbraw/zinc/69/65/83/1194696583.db2.gz NNBIXJJOLYHRGG-ZDUSSCGKSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CCCOC2)C1 ZINC001033547440 1194698563 /nfs/dbraw/zinc/69/85/63/1194698563.db2.gz ZZJMKYPZLDVLKP-HIFRSBDPSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CCCOC2)C1 ZINC001033547440 1194698564 /nfs/dbraw/zinc/69/85/64/1194698564.db2.gz ZZJMKYPZLDVLKP-HIFRSBDPSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CCCOC2)C1 ZINC001033547441 1194698570 /nfs/dbraw/zinc/69/85/70/1194698570.db2.gz ZZJMKYPZLDVLKP-UKRRQHHQSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CCCOC2)C1 ZINC001033547441 1194698572 /nfs/dbraw/zinc/69/85/72/1194698572.db2.gz ZZJMKYPZLDVLKP-UKRRQHHQSA-N 1 2 345.281 2.244 20 30 EEEDLO CCc1cnc(C[NH+]2CCC(N(C)C(=O)c3cc(C#N)c[nH]3)CC2)o1 ZINC001005222759 1194916295 /nfs/dbraw/zinc/91/62/95/1194916295.db2.gz BHINHUMVWFIFEA-UHFFFAOYSA-N 1 2 341.415 2.173 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3nc(C)c(C)o3)C2)nc1 ZINC001033592630 1194921491 /nfs/dbraw/zinc/92/14/91/1194921491.db2.gz HVAUOBHQEAYOHM-INIZCTEOSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3nc(C)c(C)o3)C2)nc1 ZINC001033592630 1194921492 /nfs/dbraw/zinc/92/14/92/1194921492.db2.gz HVAUOBHQEAYOHM-INIZCTEOSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ncc(C)s3)C2)nc1 ZINC001033596666 1194927945 /nfs/dbraw/zinc/92/79/45/1194927945.db2.gz LNBROXOPJBNFPE-HNNXBMFYSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ncc(C)s3)C2)nc1 ZINC001033596666 1194927948 /nfs/dbraw/zinc/92/79/48/1194927948.db2.gz LNBROXOPJBNFPE-HNNXBMFYSA-N 1 2 340.452 2.174 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC001033597849 1194929693 /nfs/dbraw/zinc/92/96/93/1194929693.db2.gz ZCIBSNMCSSHFJJ-INIZCTEOSA-N 1 2 349.862 2.287 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC001033597849 1194929694 /nfs/dbraw/zinc/92/96/94/1194929694.db2.gz ZCIBSNMCSSHFJJ-INIZCTEOSA-N 1 2 349.862 2.287 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001033877927 1195416028 /nfs/dbraw/zinc/41/60/28/1195416028.db2.gz FEWGLJXRYJPAFK-GJZGRUSLSA-N 1 2 336.867 2.121 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001033877927 1195416033 /nfs/dbraw/zinc/41/60/33/1195416033.db2.gz FEWGLJXRYJPAFK-GJZGRUSLSA-N 1 2 336.867 2.121 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(C(=O)NC)c2)C1 ZINC001034044477 1195695936 /nfs/dbraw/zinc/69/59/36/1195695936.db2.gz LUIIKSSZMRBEGJ-INIZCTEOSA-N 1 2 349.862 2.335 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(C(=O)NC)c2)C1 ZINC001034044477 1195695938 /nfs/dbraw/zinc/69/59/38/1195695938.db2.gz LUIIKSSZMRBEGJ-INIZCTEOSA-N 1 2 349.862 2.335 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)C2CCOCC2)C1 ZINC001034075961 1195727786 /nfs/dbraw/zinc/72/77/86/1195727786.db2.gz GZGFQGBGDUGTTM-CQSZACIVSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)C2CCOCC2)C1 ZINC001034075961 1195727789 /nfs/dbraw/zinc/72/77/89/1195727789.db2.gz GZGFQGBGDUGTTM-CQSZACIVSA-N 1 2 345.281 2.292 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@H]1CC[C@H](NC(=O)c2[nH]ncc2F)CC1 ZINC001034732067 1196630174 /nfs/dbraw/zinc/63/01/74/1196630174.db2.gz DOWQKZUQJFKQPS-SHTZXODSSA-N 1 2 341.390 2.251 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001108160577 1196745950 /nfs/dbraw/zinc/74/59/50/1196745950.db2.gz OSVAXBGPJRUPKC-HOCLYGCPSA-N 1 2 328.403 2.042 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001108160577 1196745951 /nfs/dbraw/zinc/74/59/51/1196745951.db2.gz OSVAXBGPJRUPKC-HOCLYGCPSA-N 1 2 328.403 2.042 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(OC)cc1F ZINC001018132849 1224372908 /nfs/dbraw/zinc/37/29/08/1224372908.db2.gz PRSABUBJEHRUCJ-IYBDPMFKSA-N 1 2 330.403 2.075 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(OC)cc1F ZINC001018132849 1224372915 /nfs/dbraw/zinc/37/29/15/1224372915.db2.gz PRSABUBJEHRUCJ-IYBDPMFKSA-N 1 2 330.403 2.075 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(OCCC)c1 ZINC001018153383 1224400496 /nfs/dbraw/zinc/40/04/96/1224400496.db2.gz VPHGOIGXTMCNKH-HDICACEKSA-N 1 2 326.440 2.326 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(OCCC)c1 ZINC001018153383 1224400501 /nfs/dbraw/zinc/40/05/01/1224400501.db2.gz VPHGOIGXTMCNKH-HDICACEKSA-N 1 2 326.440 2.326 20 30 EEEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3F)C2)OCC1=O ZINC001273230481 1197609790 /nfs/dbraw/zinc/60/97/90/1197609790.db2.gz JVORNZXXPFVTKR-QGZVFWFLSA-N 1 2 338.810 2.468 20 30 EEEDLO C=CCN1C[C@]2(CC[N@H+](Cc3ccc(Cl)cc3F)C2)OCC1=O ZINC001273230481 1197609793 /nfs/dbraw/zinc/60/97/93/1197609793.db2.gz JVORNZXXPFVTKR-QGZVFWFLSA-N 1 2 338.810 2.468 20 30 EEEDLO Cc1nn(C)c(C)c1C(=NNc1cc(C)[nH+]c(N)n1)C(F)(F)F ZINC000872420107 1198174595 /nfs/dbraw/zinc/17/45/95/1198174595.db2.gz IUQQQJCMNXUFQJ-UHFFFAOYSA-N 1 2 327.314 2.096 20 30 EEEDLO COc1cc(C[N@@H+]2C[C@@H](NC(=O)C#CC3CC3)CC[C@H]2C)sn1 ZINC001132045701 1199251026 /nfs/dbraw/zinc/25/10/26/1199251026.db2.gz HORLNQYOCHTGIO-OCCSQVGLSA-N 1 2 333.457 2.034 20 30 EEEDLO COc1cc(C[N@H+]2C[C@@H](NC(=O)C#CC3CC3)CC[C@H]2C)sn1 ZINC001132045701 1199251028 /nfs/dbraw/zinc/25/10/28/1199251028.db2.gz HORLNQYOCHTGIO-OCCSQVGLSA-N 1 2 333.457 2.034 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2c(C)oc(C)c2C)CC[C@@H]1C ZINC001132161113 1199396804 /nfs/dbraw/zinc/39/68/04/1199396804.db2.gz XFGPFOUFPKXCOL-BLLLJJGKSA-N 1 2 347.459 2.090 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2c(C)oc(C)c2C)CC[C@@H]1C ZINC001132161113 1199396808 /nfs/dbraw/zinc/39/68/08/1199396808.db2.gz 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C=CCCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3cnnn3C)C2)CC1 ZINC001132290153 1199542852 /nfs/dbraw/zinc/54/28/52/1199542852.db2.gz AVTZDYVTCPKYSO-CABCVRRESA-N 1 2 331.464 2.031 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2oc(CC)cc2C)CC[C@H]1C ZINC001132423877 1199674731 /nfs/dbraw/zinc/67/47/31/1199674731.db2.gz CLPDBVMOHRWTPF-CABCVRRESA-N 1 2 347.459 2.035 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2oc(CC)cc2C)CC[C@H]1C ZINC001132423877 1199674734 /nfs/dbraw/zinc/67/47/34/1199674734.db2.gz CLPDBVMOHRWTPF-CABCVRRESA-N 1 2 347.459 2.035 20 30 EEEDLO Cn1cc(C[NH+]2CCN(CC#N)CC2)c(-c2cc(F)ccc2F)n1 ZINC000876678045 1199719446 /nfs/dbraw/zinc/71/94/46/1199719446.db2.gz YVDHPBQBOSFWIZ-UHFFFAOYSA-N 1 2 331.370 2.006 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CNC(=O)C(CC)CC)CC[C@@H]1C ZINC001132546873 1199844795 /nfs/dbraw/zinc/84/47/95/1199844795.db2.gz TUORWUPUCKZHBM-DZGCQCFKSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CNC(=O)C(CC)CC)CC[C@@H]1C ZINC001132546873 1199844792 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343.471 2.235 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCc2noc3c2CCCC3)cc1OC ZINC000123333880 1200894986 /nfs/dbraw/zinc/89/49/86/1200894986.db2.gz GFZNQNFORAPHAV-UHFFFAOYSA-N 1 2 331.372 2.408 20 30 EEEDLO C=C(C)[C@H](CC(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)CC1(C)C)OCC ZINC001114467897 1200933891 /nfs/dbraw/zinc/93/38/91/1200933891.db2.gz JVQQISBCRLKGGS-JKSUJKDBSA-N 1 2 346.475 2.487 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)CC3CCCC3)C2)CC1 ZINC001018359178 1224641127 /nfs/dbraw/zinc/64/11/27/1224641127.db2.gz AZNFDHLDCAUVRQ-GOSISDBHSA-N 1 2 347.503 2.136 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)CC3CCCC3)C2)CC1 ZINC001018359179 1224641238 /nfs/dbraw/zinc/64/12/38/1224641238.db2.gz AZNFDHLDCAUVRQ-SFHVURJKSA-N 1 2 347.503 2.136 20 30 EEEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2nc(-c3ccccc3)no2)C1 ZINC001133565672 1201055814 /nfs/dbraw/zinc/05/58/14/1201055814.db2.gz GPMNJZUABBRFEF-UHFFFAOYSA-N 1 2 326.400 2.299 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001095322546 1201806655 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N#Cc1cccnc1NC1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001097641147 1244468748 /nfs/dbraw/zinc/46/87/48/1244468748.db2.gz NIDGZESMMPIWAQ-UHFFFAOYSA-N 1 2 338.415 2.148 20 30 EEEDLO N#Cc1cccnc1NC1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001097641147 1244468755 /nfs/dbraw/zinc/46/87/55/1244468755.db2.gz NIDGZESMMPIWAQ-UHFFFAOYSA-N 1 2 338.415 2.148 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3nn(C)cc31)C2 ZINC001097725663 1244538950 /nfs/dbraw/zinc/53/89/50/1244538950.db2.gz CRUIIPOFZCKCOT-GFOFROLCSA-N 1 2 348.878 2.314 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3nn(C)cc31)C2 ZINC001097725663 1244538958 /nfs/dbraw/zinc/53/89/58/1244538958.db2.gz CRUIIPOFZCKCOT-GFOFROLCSA-N 1 2 348.878 2.314 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(CC)nc1C1CC1 ZINC001050942268 1244680057 /nfs/dbraw/zinc/68/00/57/1244680057.db2.gz CKZDYNWWGFFKJZ-INIZCTEOSA-N 1 2 346.475 2.177 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(CC)nc1C1CC1 ZINC001050942268 1244680066 /nfs/dbraw/zinc/68/00/66/1244680066.db2.gz CKZDYNWWGFFKJZ-INIZCTEOSA-N 1 2 346.475 2.177 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C2CC2)n(CC)n1 ZINC001050948395 1244695757 /nfs/dbraw/zinc/69/57/57/1244695757.db2.gz IDWKOIMYEHBFNE-INIZCTEOSA-N 1 2 346.475 2.177 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C2CC2)n(CC)n1 ZINC001050948395 1244695768 /nfs/dbraw/zinc/69/57/68/1244695768.db2.gz IDWKOIMYEHBFNE-INIZCTEOSA-N 1 2 346.475 2.177 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OC)c(OC)c1C ZINC001050971006 1244757382 /nfs/dbraw/zinc/75/73/82/1244757382.db2.gz QWZLNEMOCGEZOA-HNNXBMFYSA-N 1 2 348.443 2.019 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OC)c(OC)c1C ZINC001050971006 1244757387 /nfs/dbraw/zinc/75/73/87/1244757387.db2.gz QWZLNEMOCGEZOA-HNNXBMFYSA-N 1 2 348.443 2.019 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccncc1OC(C)C ZINC001051044429 1244900798 /nfs/dbraw/zinc/90/07/98/1244900798.db2.gz QEMQDVOOBSUWIJ-MRXNPFEDSA-N 1 2 347.459 2.266 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccncc1OC(C)C ZINC001051044429 1244900806 /nfs/dbraw/zinc/90/08/06/1244900806.db2.gz QEMQDVOOBSUWIJ-MRXNPFEDSA-N 1 2 347.459 2.266 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2c(c1)[C@H](C)CO2 ZINC001051078186 1244944622 /nfs/dbraw/zinc/94/46/22/1244944622.db2.gz JXLBJQRNPQFOME-GDBMZVCRSA-N 1 2 330.428 2.189 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2c(c1)[C@H](C)CO2 ZINC001051078186 1244944628 /nfs/dbraw/zinc/94/46/28/1244944628.db2.gz JXLBJQRNPQFOME-GDBMZVCRSA-N 1 2 330.428 2.189 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2ccccc2O1 ZINC001051168604 1245079991 /nfs/dbraw/zinc/07/99/91/1245079991.db2.gz LHVUAXYEBRPFBH-HKUYNNGSSA-N 1 2 344.455 2.163 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2ccccc2O1 ZINC001051168604 1245080000 /nfs/dbraw/zinc/08/00/00/1245080000.db2.gz LHVUAXYEBRPFBH-HKUYNNGSSA-N 1 2 344.455 2.163 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001051191566 1245369793 /nfs/dbraw/zinc/36/97/93/1245369793.db2.gz IWSPWUZKRHILSU-QGZVFWFLSA-N 1 2 340.427 2.083 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001051191566 1245369799 /nfs/dbraw/zinc/36/97/99/1245369799.db2.gz IWSPWUZKRHILSU-QGZVFWFLSA-N 1 2 340.427 2.083 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cncc(C(F)(F)F)c1 ZINC001051199144 1245377500 /nfs/dbraw/zinc/37/75/00/1245377500.db2.gz FIOPELYNUQERSB-AWEZNQCLSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cncc(C(F)(F)F)c1 ZINC001051199144 1245377502 /nfs/dbraw/zinc/37/75/02/1245377502.db2.gz FIOPELYNUQERSB-AWEZNQCLSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ncccc1OC(C)C ZINC001051229029 1245416697 /nfs/dbraw/zinc/41/66/97/1245416697.db2.gz UMZDYDPNCDBXKO-INIZCTEOSA-N 1 2 347.459 2.266 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ncccc1OC(C)C ZINC001051229029 1245416700 /nfs/dbraw/zinc/41/67/00/1245416700.db2.gz UMZDYDPNCDBXKO-INIZCTEOSA-N 1 2 347.459 2.266 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OC)c(Cl)c1 ZINC001051239095 1245427233 /nfs/dbraw/zinc/42/72/33/1245427233.db2.gz HBXYAIHLSIVLMM-AWEZNQCLSA-N 1 2 338.835 2.355 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OC)c(Cl)c1 ZINC001051239095 1245427238 /nfs/dbraw/zinc/42/72/38/1245427238.db2.gz HBXYAIHLSIVLMM-AWEZNQCLSA-N 1 2 338.835 2.355 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OCC)c(OC)c1 ZINC001051240045 1245428333 /nfs/dbraw/zinc/42/83/33/1245428333.db2.gz DBJYDMGOLGDEQY-INIZCTEOSA-N 1 2 348.443 2.101 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OCC)c(OC)c1 ZINC001051240045 1245428334 /nfs/dbraw/zinc/42/83/34/1245428334.db2.gz DBJYDMGOLGDEQY-INIZCTEOSA-N 1 2 348.443 2.101 20 30 EEEDLO CC[C@H](c1ccccc1)[NH+]1CC2(C1)CN(C(=O)[C@H](C)C#N)CCO2 ZINC001053187243 1246026788 /nfs/dbraw/zinc/02/67/88/1246026788.db2.gz HXYVSTMRDPMDBW-NVXWUHKLSA-N 1 2 327.428 2.211 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1nc(C(C)C)oc1C)CCO2 ZINC001053256267 1246101491 /nfs/dbraw/zinc/10/14/91/1246101491.db2.gz WYKDKFSEJYWRRX-UHFFFAOYSA-N 1 2 333.432 2.209 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)Oc1ccccc1F)CCO2 ZINC001053265839 1246113806 /nfs/dbraw/zinc/11/38/06/1246113806.db2.gz JYZOGLCMUFLTEN-OAHLLOKOSA-N 1 2 348.418 2.082 20 30 EEEDLO C=C1CCC(C(=O)N2CCO[C@H](C[NH2+][C@H](C)c3nc(C)no3)C2)CC1 ZINC001051804354 1246127492 /nfs/dbraw/zinc/12/74/92/1246127492.db2.gz ZEMIOQDCHHOZTR-CZUORRHYSA-N 1 2 348.447 2.002 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccnn1C1CCCC1)CCO2 ZINC001053275749 1246129952 /nfs/dbraw/zinc/12/99/52/1246129952.db2.gz XHXPMFJTILLGPL-UHFFFAOYSA-N 1 2 344.459 2.101 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cccs3)C2)CC1 ZINC001051971404 1246327476 /nfs/dbraw/zinc/32/74/76/1246327476.db2.gz UVOZGLQVYNHHMX-MRXNPFEDSA-N 1 2 333.501 2.085 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)C3CC(F)(F)C3)C2)CC1 ZINC001052010075 1246373235 /nfs/dbraw/zinc/37/32/35/1246373235.db2.gz RZWLLDDAKVRAEW-CQSZACIVSA-N 1 2 347.837 2.003 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1(c3ccccc3F)CC1)CCO2 ZINC001053495475 1246395774 /nfs/dbraw/zinc/39/57/74/1246395774.db2.gz NITSGSZKCUJPPK-UHFFFAOYSA-N 1 2 344.430 2.347 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3[nH]ccc3C3CC3)C2)CC1 ZINC001052035533 1246403592 /nfs/dbraw/zinc/40/35/92/1246403592.db2.gz LFFSLGZHODUYKU-QGZVFWFLSA-N 1 2 342.487 2.300 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccccc3)C2)CC1 ZINC001052042768 1246412810 /nfs/dbraw/zinc/41/28/10/1246412810.db2.gz FZNMEBHAKMGTPI-GOSISDBHSA-N 1 2 347.890 2.200 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C34CCC(CC3)C4)C2)CC1 ZINC001052044012 1246413851 /nfs/dbraw/zinc/41/38/51/1246413851.db2.gz AMDZQCPOBZDUEW-FDYSRKEFSA-N 1 2 331.504 2.361 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)c3ccccc3)C2)CC1 ZINC001052108771 1246488419 /nfs/dbraw/zinc/48/84/19/1246488419.db2.gz QWQYYFJKGYENKE-AZUAARDMSA-N 1 2 339.483 2.032 20 30 EEEDLO CCC1(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)CCCCC1 ZINC001052119009 1246502725 /nfs/dbraw/zinc/50/27/25/1246502725.db2.gz GPHOYOYJUNYNDB-QGZVFWFLSA-N 1 2 332.492 2.089 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccoc3C(C)C)C2)CC1 ZINC001052122223 1246508174 /nfs/dbraw/zinc/50/81/74/1246508174.db2.gz PEIDENSDXPSFJY-INIZCTEOSA-N 1 2 331.460 2.421 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccnn1[C@H](C)CC)O2 ZINC001053605499 1246520940 /nfs/dbraw/zinc/52/09/40/1246520940.db2.gz IBWNATQRLKVKSK-HZPDHXFCSA-N 1 2 346.475 2.393 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nc(Cl)cs1)O2 ZINC001053649361 1246589317 /nfs/dbraw/zinc/58/93/17/1246589317.db2.gz KLUKBVFPLPPLRN-NSHDSACASA-N 1 2 341.864 2.336 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C3CC3)nc1C)O2 ZINC001053660662 1246605916 /nfs/dbraw/zinc/60/59/16/1246605916.db2.gz NJNGGTMVQHWZPU-MRXNPFEDSA-N 1 2 341.455 2.417 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc3[nH]ccc31)O2 ZINC001053663796 1246609447 /nfs/dbraw/zinc/60/94/47/1246609447.db2.gz BTNXKTJYECIMHE-AWEZNQCLSA-N 1 2 325.412 2.317 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1[C@H]3[C@@H]1[C@@H]1CC[C@H]3C1)O2 ZINC001053703608 1246682876 /nfs/dbraw/zinc/68/28/76/1246682876.db2.gz KVKZOOHAVFLMDF-RFSXOUPVSA-N 1 2 330.472 2.204 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnn1[C@H](C)CC)CO2 ZINC001053818295 1246834667 /nfs/dbraw/zinc/83/46/67/1246834667.db2.gz CYDINIRBVQZHLP-CABCVRRESA-N 1 2 332.448 2.003 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnoc1-c1ccco1)CO2 ZINC001053847942 1246903112 /nfs/dbraw/zinc/90/31/12/1246903112.db2.gz OXMJQEUTUSDRHS-CYBMUJFWSA-N 1 2 343.383 2.084 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1cccc(C(C)C)c1)CO2 ZINC001053858102 1246920946 /nfs/dbraw/zinc/92/09/46/1246920946.db2.gz YEUZGKJOOOXEKL-IBGZPJMESA-N 1 2 340.467 2.335 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1csc3ccccc13)CO2 ZINC001053885093 1246964463 /nfs/dbraw/zinc/96/44/63/1246964463.db2.gz DMVAUSWCHXOSHZ-CQSZACIVSA-N 1 2 340.448 2.498 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(CC(C)C)c[nH]1)CO2 ZINC001053982729 1247105695 /nfs/dbraw/zinc/10/56/95/1247105695.db2.gz AWQNUJWQQICZGU-INIZCTEOSA-N 1 2 331.460 2.362 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001057749241 1247110300 /nfs/dbraw/zinc/11/03/00/1247110300.db2.gz RAORRKOWALLPTR-UGSOOPFHSA-N 1 2 342.447 2.369 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1sccc1C(F)F)CO2 ZINC001053995818 1247125155 /nfs/dbraw/zinc/12/51/55/1247125155.db2.gz GJTBSADXMZYOJK-LLVKDONJSA-N 1 2 340.395 2.282 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)c1ccc(F)cc1F)CO2 ZINC001054013789 1247149037 /nfs/dbraw/zinc/14/90/37/1247149037.db2.gz BKHOBCQLFJFCLX-UKRRQHHQSA-N 1 2 348.393 2.051 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)c1cccc(OC)c1)CO2 ZINC001054017789 1247155498 /nfs/dbraw/zinc/15/54/98/1247155498.db2.gz LQNLYLNOQLECTI-NVXWUHKLSA-N 1 2 344.455 2.334 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001054041169 1247201377 /nfs/dbraw/zinc/20/13/77/1247201377.db2.gz IQKZLHUFKWTYGF-ROUUACIJSA-N 1 2 348.450 2.006 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001054041169 1247201386 /nfs/dbraw/zinc/20/13/86/1247201386.db2.gz IQKZLHUFKWTYGF-ROUUACIJSA-N 1 2 348.450 2.006 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnn2c1CCC2 ZINC001054043445 1247212833 /nfs/dbraw/zinc/21/28/33/1247212833.db2.gz YJPPTVGBRZXZHK-GOSISDBHSA-N 1 2 348.450 2.009 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnn2c1CCC2 ZINC001054043445 1247212841 /nfs/dbraw/zinc/21/28/41/1247212841.db2.gz YJPPTVGBRZXZHK-GOSISDBHSA-N 1 2 348.450 2.009 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1c[nH]nc1CC ZINC001054045559 1247219431 /nfs/dbraw/zinc/21/94/31/1247219431.db2.gz UTBHOKFFOMKVSD-QGZVFWFLSA-N 1 2 336.439 2.152 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1c[nH]nc1CC ZINC001054045559 1247219439 /nfs/dbraw/zinc/21/94/39/1247219439.db2.gz UTBHOKFFOMKVSD-QGZVFWFLSA-N 1 2 336.439 2.152 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccn2ccnc12 ZINC001054055220 1247250569 /nfs/dbraw/zinc/25/05/69/1247250569.db2.gz HANGWGDUDZHBLW-SFHVURJKSA-N 1 2 344.418 2.124 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccn2ccnc12 ZINC001054055220 1247250578 /nfs/dbraw/zinc/25/05/78/1247250578.db2.gz HANGWGDUDZHBLW-SFHVURJKSA-N 1 2 344.418 2.124 20 30 EEEDLO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1conc1COC ZINC001054058682 1247263237 /nfs/dbraw/zinc/26/32/37/1247263237.db2.gz TUQMZDDIHMQHMH-MRXNPFEDSA-N 1 2 341.411 2.164 20 30 EEEDLO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1conc1COC ZINC001054058682 1247263245 /nfs/dbraw/zinc/26/32/45/1247263245.db2.gz TUQMZDDIHMQHMH-MRXNPFEDSA-N 1 2 341.411 2.164 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1coc(CCC)n1 ZINC001054058704 1247264513 /nfs/dbraw/zinc/26/45/13/1247264513.db2.gz UNIYFUVJMDUNDS-QGZVFWFLSA-N 1 2 337.423 2.417 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1coc(CCC)n1 ZINC001054058704 1247264517 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C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cnc4n3CCCC4)cc2C1 ZINC001054277915 1247985993 /nfs/dbraw/zinc/98/59/93/1247985993.db2.gz CVMINVNJCQGAIQ-UHFFFAOYSA-N 1 2 334.423 2.098 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ncc4n3CCCC4)cc2C1 ZINC001054292764 1248032867 /nfs/dbraw/zinc/03/28/67/1248032867.db2.gz SGWRYTGNXWVKSD-UHFFFAOYSA-N 1 2 334.423 2.098 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ncc4n3CCCC4)cc2C1 ZINC001054292764 1248032876 /nfs/dbraw/zinc/03/28/76/1248032876.db2.gz SGWRYTGNXWVKSD-UHFFFAOYSA-N 1 2 334.423 2.098 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc(Cl)cn1)C2 ZINC001097946300 1248504227 /nfs/dbraw/zinc/50/42/27/1248504227.db2.gz OYDKZDDPKQSFQJ-UPJWGTAASA-N 1 2 329.231 2.011 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc(Cl)cn1)C2 ZINC001097946300 1248504232 /nfs/dbraw/zinc/50/42/32/1248504232.db2.gz OYDKZDDPKQSFQJ-UPJWGTAASA-N 1 2 329.231 2.011 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCO[C@H]([C@@H](C)Nc3cc[nH+]c(C)n3)C2)C1 ZINC001068244234 1250588252 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C#CCO[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ncc(C)o1 ZINC001099074235 1257957702 /nfs/dbraw/zinc/95/77/02/1257957702.db2.gz JUFXVXXJHZFIJN-JKSUJKDBSA-N 1 2 347.459 2.128 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H](CC)OC)CC2(CCOCC2)C1 ZINC001099567776 1258214841 /nfs/dbraw/zinc/21/48/41/1258214841.db2.gz NYIREBXIOIFURV-LSDHHAIUSA-N 1 2 344.883 2.151 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)OC)CC2(CCOCC2)C1 ZINC001099567776 1258214846 /nfs/dbraw/zinc/21/48/46/1258214846.db2.gz NYIREBXIOIFURV-LSDHHAIUSA-N 1 2 344.883 2.151 20 30 EEEDLO C[C@@H](CCNC(=O)c1cccc2[nH+]ccn21)Nc1ncccc1C#N ZINC001099594176 1258241302 /nfs/dbraw/zinc/24/13/02/1258241302.db2.gz VHZKCNJXTLCTBH-ZDUSSCGKSA-N 1 2 334.383 2.221 20 30 EEEDLO C#CC[NH2+]Cc1cn(-c2cccc(CNC(=O)CCC(C)C)c2)nn1 ZINC001099600643 1258251973 /nfs/dbraw/zinc/25/19/73/1258251973.db2.gz WPPUELAKAQHCON-UHFFFAOYSA-N 1 2 339.443 2.043 20 30 EEEDLO Cc1nc(N[C@@H](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccc1C#N ZINC001099765223 1258337006 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C=C[C@@H](C(=O)N1CCC[N@@H+](CC(=O)NCCC)CC1)c1ccccc1 ZINC001198205468 1285016380 /nfs/dbraw/zinc/01/63/80/1285016380.db2.gz YBGWLYQHKWQVRQ-GOSISDBHSA-N 1 2 343.471 2.017 20 30 EEEDLO C=C[C@@H](C(=O)N1CCC[N@H+](CC(=O)NCCC)CC1)c1ccccc1 ZINC001198205468 1285016385 /nfs/dbraw/zinc/01/63/85/1285016385.db2.gz YBGWLYQHKWQVRQ-GOSISDBHSA-N 1 2 343.471 2.017 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC(CC)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001069544614 1285860645 /nfs/dbraw/zinc/86/06/45/1285860645.db2.gz SUKIGLVDBUHCFL-HUUCEWRRSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3cc(C)n(C)c3C)c2C1 ZINC001069882316 1286214347 /nfs/dbraw/zinc/21/43/47/1286214347.db2.gz BCIPCQGVDVCMJW-UHFFFAOYSA-N 1 2 341.459 2.160 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3cc(C)n(C)c3C)c2C1 ZINC001069882316 1286214354 /nfs/dbraw/zinc/21/43/54/1286214354.db2.gz BCIPCQGVDVCMJW-UHFFFAOYSA-N 1 2 341.459 2.160 20 30 EEEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)C1=CCOCC1 ZINC001152913398 1289687194 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20 30 EEEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1cnc(OC)c(C#N)c1 ZINC001206511095 1323517418 /nfs/dbraw/zinc/51/74/18/1323517418.db2.gz VSXMBAPEMBVEOE-UHFFFAOYSA-N 1 2 339.395 2.470 20 30 EEEDLO Cc1c(CN2CC[C@H]3C[C@]32C(=O)NC2(C#N)CCC2)[nH+]c2ccccn12 ZINC001279871642 1324019729 /nfs/dbraw/zinc/01/97/29/1324019729.db2.gz GXHRAKHZNSMGKP-MGPUTAFESA-N 1 2 349.438 2.170 20 30 EEEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CCCCCC1 ZINC001316600953 1324077133 /nfs/dbraw/zinc/07/71/33/1324077133.db2.gz DEURCGHPTSUVJG-FUHWJXTLSA-N 1 2 347.503 2.018 20 30 EEEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC1CCCCCC1 ZINC001316600953 1324077141 /nfs/dbraw/zinc/07/71/41/1324077141.db2.gz DEURCGHPTSUVJG-FUHWJXTLSA-N 1 2 347.503 2.018 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)cc(C)c1 ZINC001316607103 1324618909 /nfs/dbraw/zinc/61/89/09/1324618909.db2.gz RAWVMOYLNOWNCJ-FUHWJXTLSA-N 1 2 343.471 2.140 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)cc(C)c1 ZINC001316607103 1324618916 /nfs/dbraw/zinc/61/89/16/1324618916.db2.gz RAWVMOYLNOWNCJ-FUHWJXTLSA-N 1 2 343.471 2.140 20 30 EEEDLO C=CCCCC[N@H+]1CC(=O)NC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001209201909 1324849787 /nfs/dbraw/zinc/84/97/87/1324849787.db2.gz YUFSOEVCEYJOIY-SFHVURJKSA-N 1 2 337.464 2.154 20 30 EEEDLO C=CCCCC[N@@H+]1CC(=O)NC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001209201909 1324849792 /nfs/dbraw/zinc/84/97/92/1324849792.db2.gz YUFSOEVCEYJOIY-SFHVURJKSA-N 1 2 337.464 2.154 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC(C)(C)C[C@@H]1C ZINC001338835237 1336916919 /nfs/dbraw/zinc/91/69/19/1336916919.db2.gz XERIGPSZVCELDI-HNNXBMFYSA-N 1 2 347.507 2.293 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001340103700 1337122947 /nfs/dbraw/zinc/12/29/47/1337122947.db2.gz CESMKCIPEAEDHX-NVXWUHKLSA-N 1 2 332.448 2.290 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)CC1CCOCC1 ZINC001340389336 1337174371 /nfs/dbraw/zinc/17/43/71/1337174371.db2.gz GEIMQEGUQIHXJJ-INIZCTEOSA-N 1 2 333.480 2.484 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)CC1CCOCC1 ZINC001340389336 1337174375 /nfs/dbraw/zinc/17/43/75/1337174375.db2.gz GEIMQEGUQIHXJJ-INIZCTEOSA-N 1 2 333.480 2.484 20 30 EEEDLO C=C1CCN(c2nnc(C[NH+]3CCCCC3)n2C[C@H]2CCOC2)CC1 ZINC001344107697 1337365835 /nfs/dbraw/zinc/36/58/35/1337365835.db2.gz OUWWBYMOOBMZHK-QGZVFWFLSA-N 1 2 345.491 2.457 20 30 EEEDLO C=C(C)CN(CC)c1nnc([C@@H]2CCC[N@@H+]2C)n1C[C@H]1CCOC1 ZINC001345415132 1337444651 /nfs/dbraw/zinc/44/46/51/1337444651.db2.gz UXWKZKPBAQPIKF-CVEARBPZSA-N 1 2 333.480 2.484 20 30 EEEDLO C=C(C)CN(CC)c1nnc([C@@H]2CCC[N@H+]2C)n1C[C@H]1CCOC1 ZINC001345415132 1337444653 /nfs/dbraw/zinc/44/46/53/1337444653.db2.gz UXWKZKPBAQPIKF-CVEARBPZSA-N 1 2 333.480 2.484 20 30 EEEDLO C=CC[N@H+](CN1CCN(C(=O)OC(C)(C)C)C1=O)[C@H](C)COC ZINC001350479878 1337716922 /nfs/dbraw/zinc/71/69/22/1337716922.db2.gz KRISDLUHYKVMGQ-CYBMUJFWSA-N 1 2 327.425 2.140 20 30 EEEDLO C=CC[N@@H+](CN1CCN(C(=O)OC(C)(C)C)C1=O)[C@H](C)COC ZINC001350479878 1337716925 /nfs/dbraw/zinc/71/69/25/1337716925.db2.gz KRISDLUHYKVMGQ-CYBMUJFWSA-N 1 2 327.425 2.140 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1C[C@H](C)C[C@H]1C ZINC001351544074 1337824471 /nfs/dbraw/zinc/82/44/71/1337824471.db2.gz LVPFLUISCOXIGP-OAGGEKHMSA-N 1 2 333.480 2.481 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1C[C@H](C)C[C@H]1C ZINC001351544074 1337824477 /nfs/dbraw/zinc/82/44/77/1337824477.db2.gz LVPFLUISCOXIGP-OAGGEKHMSA-N 1 2 333.480 2.481 20 30 EEEDLO C#CCC1(C(=O)NCC2CC([NH2+]Cc3noc(CCC)n3)C2)CCC1 ZINC001100396401 1338343186 /nfs/dbraw/zinc/34/31/86/1338343186.db2.gz AADZSILEZXZEIQ-UHFFFAOYSA-N 1 2 344.459 2.200 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001100552601 1338499117 /nfs/dbraw/zinc/49/91/17/1338499117.db2.gz YXCCUXWOCRGVAC-AWEZNQCLSA-N 1 2 332.448 2.196 20 30 EEEDLO CC[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001433311532 1341556979 /nfs/dbraw/zinc/55/69/79/1341556979.db2.gz JYIUWMMKELBURW-OWCLPIDISA-N 1 2 348.495 2.108 20 30 EEEDLO C=C(Cl)Cn1c([C@@H](C)CC)nnc1N(C)CC[NH+]1CCOCC1 ZINC001434590370 1341880920 /nfs/dbraw/zinc/88/09/20/1341880920.db2.gz XGOLNINAESJXGG-ZDUSSCGKSA-N 1 2 341.887 2.313 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001567772141 1342836905 /nfs/dbraw/zinc/83/69/05/1342836905.db2.gz ZNVRNTOXPIEIGX-YOEHRIQHSA-N 1 2 329.831 2.432 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001567772141 1342836910 /nfs/dbraw/zinc/83/69/10/1342836910.db2.gz ZNVRNTOXPIEIGX-YOEHRIQHSA-N 1 2 329.831 2.432 20 30 EEEDLO CC(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H](CC#N)C1 ZINC001650456626 1353929660 /nfs/dbraw/zinc/92/96/60/1353929660.db2.gz SMMWUJVZNUWDLU-OAHLLOKOSA-N 1 2 341.463 2.388 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N3CCc4c(C#N)c(N)sc4C3)ccn12 ZINC001653212350 1354116171 /nfs/dbraw/zinc/11/61/71/1354116171.db2.gz CZFWADXCYQIJSN-UHFFFAOYSA-N 1 2 337.408 2.357 20 30 EEEDLO 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ZINC001196666649 1368600645 /nfs/dbraw/zinc/60/06/45/1368600645.db2.gz ZSWPIGNNLKEQTN-GOSISDBHSA-N 1 2 335.448 2.246 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CCC[N@@H+](Cc2cc(C)no2)CC1 ZINC001196666649 1368600649 /nfs/dbraw/zinc/60/06/49/1368600649.db2.gz ZSWPIGNNLKEQTN-GOSISDBHSA-N 1 2 335.448 2.246 20 30 EEEDLO c1ccc(N2CCC(=NNC[C@H]3COc4ccccc4O3)CC2)[nH+]c1 ZINC000863201277 1369557611 /nfs/dbraw/zinc/55/76/11/1369557611.db2.gz WRAZSPBMPIXMMA-INIZCTEOSA-N 1 2 338.411 2.467 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC(CC)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001069516081 1370166265 /nfs/dbraw/zinc/16/62/65/1370166265.db2.gz MDGZFDHZLIZKKY-UHFFFAOYSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)c3ocnc3C)C2)C1 ZINC001072588940 1370753976 /nfs/dbraw/zinc/75/39/76/1370753976.db2.gz STIYWHYEQMUNHC-UHFFFAOYSA-N 1 2 340.221 2.040 20 30 EEEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)c3ocnc3C)C2)C1 ZINC001072588940 1370753972 /nfs/dbraw/zinc/75/39/72/1370753972.db2.gz STIYWHYEQMUNHC-UHFFFAOYSA-N 1 2 340.221 2.040 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@H+](Cc2nc(C4CC4)no2)C3)C1 ZINC001072964273 1370795558 /nfs/dbraw/zinc/79/55/58/1370795558.db2.gz QFWZTEPGZKXYAW-UHFFFAOYSA-N 1 2 342.443 2.338 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@@H+](Cc2nc(C4CC4)no2)C3)C1 ZINC001072964273 1370795560 /nfs/dbraw/zinc/79/55/60/1370795560.db2.gz QFWZTEPGZKXYAW-UHFFFAOYSA-N 1 2 342.443 2.338 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC001073448131 1370855175 /nfs/dbraw/zinc/85/51/75/1370855175.db2.gz LWKFHXFAAZNHEX-CQSZACIVSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2conc2C(C)C)C1 ZINC001073634252 1370902123 /nfs/dbraw/zinc/90/21/23/1370902123.db2.gz PMHKBIRKBMKAKC-CYBMUJFWSA-N 1 2 341.839 2.371 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2conc2C(C)C)C1 ZINC001073634252 1370902124 /nfs/dbraw/zinc/90/21/24/1370902124.db2.gz PMHKBIRKBMKAKC-CYBMUJFWSA-N 1 2 341.839 2.371 20 30 EEEDLO Cc1nsc(NCCC[C@@H](C)NC(=O)CCn2cc[nH+]c2)c1C#N ZINC001115037421 1371495071 /nfs/dbraw/zinc/49/50/71/1371495071.db2.gz QHADFSLBOQNSKL-GFCCVEGCSA-N 1 2 346.460 2.307 20 30 EEEDLO C[C@H](CC(=O)N[C@@H](C)CCCNc1ccc(C#N)nc1)n1cc[nH+]c1 ZINC001115096447 1371517677 /nfs/dbraw/zinc/51/76/77/1371517677.db2.gz STDYLQSIFJXMPB-LSDHHAIUSA-N 1 2 340.431 2.498 20 30 EEEDLO C=C(C)CN(C)c1nnc(C[NH+]2CCC(CO)CC2)n1CC(C)C ZINC001122715349 1372072410 /nfs/dbraw/zinc/07/24/10/1372072410.db2.gz CHOHZWYWSOORFK-UHFFFAOYSA-N 1 2 335.496 2.151 20 30 EEEDLO C=CCc1cccc(C[N@H+]2CCc3c(nnn3CC)[C@@H]2COC)c1O ZINC001138626975 1372405148 /nfs/dbraw/zinc/40/51/48/1372405148.db2.gz UVBPICPQGMJKQT-KRWDZBQOSA-N 1 2 342.443 2.478 20 30 EEEDLO C=CCc1cccc(C[N@@H+]2CCc3c(nnn3CC)[C@@H]2COC)c1O ZINC001138626975 1372405152 /nfs/dbraw/zinc/40/51/52/1372405152.db2.gz UVBPICPQGMJKQT-KRWDZBQOSA-N 1 2 342.443 2.478 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(F)(F)C3)n2CC2CC2)CC1 ZINC001347903542 1372976206 /nfs/dbraw/zinc/97/62/06/1372976206.db2.gz KWKMQDWTAHWHAI-HNNXBMFYSA-N 1 2 349.429 2.346 20 30 EEEDLO C=C1CCC(C(=O)NCCN(CC)c2[nH+]cnc3c2cnn3C)CC1 ZINC001100719214 1373135054 /nfs/dbraw/zinc/13/50/54/1373135054.db2.gz WRURAWCDAJIUEW-UHFFFAOYSA-N 1 2 342.447 2.052 20 30 EEEDLO CCC[N@H+](CCNC(=O)c1cc(C#N)c[nH]1)Cc1ncc(C2CC2)o1 ZINC001372689324 1376143369 /nfs/dbraw/zinc/14/33/69/1376143369.db2.gz KDKUSRAHSBDCAH-UHFFFAOYSA-N 1 2 341.415 2.394 20 30 EEEDLO CCC[N@@H+](CCNC(=O)c1cc(C#N)c[nH]1)Cc1ncc(C2CC2)o1 ZINC001372689324 1376143374 /nfs/dbraw/zinc/14/33/74/1376143374.db2.gz KDKUSRAHSBDCAH-UHFFFAOYSA-N 1 2 341.415 2.394 20 30 EEEDLO COCc1ccc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)o1 ZINC001377193647 1379029691 /nfs/dbraw/zinc/02/96/91/1379029691.db2.gz SQNJFRBAYTXXFM-UHFFFAOYSA-N 1 2 327.384 2.159 20 30 EEEDLO COCc1ccc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)o1 ZINC001377193647 1379029694 /nfs/dbraw/zinc/02/96/94/1379029694.db2.gz SQNJFRBAYTXXFM-UHFFFAOYSA-N 1 2 327.384 2.159 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccn(CC(F)(F)F)n1 ZINC001377311942 1379121255 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CCc1nc(CC(=O)NCC[N@H+](C)Cc2ccccc2C#N)cs1 ZINC001390860615 1388828478 /nfs/dbraw/zinc/82/84/78/1388828478.db2.gz XPAPMUVZRNHLLC-UHFFFAOYSA-N 1 2 342.468 2.368 20 30 EEEDLO CCc1nc(CC(=O)NCC[N@@H+](C)Cc2ccccc2C#N)cs1 ZINC001390860615 1388828480 /nfs/dbraw/zinc/82/84/80/1388828480.db2.gz XPAPMUVZRNHLLC-UHFFFAOYSA-N 1 2 342.468 2.368 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C[C@@H]1c2ccccc2NC1=O ZINC001390999008 1388955779 /nfs/dbraw/zinc/95/57/79/1388955779.db2.gz FTCWQIMUYABMRD-CQSZACIVSA-N 1 2 335.835 2.303 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C[C@@H]1c2ccccc2NC1=O ZINC001390999008 1388955785 /nfs/dbraw/zinc/95/57/85/1388955785.db2.gz FTCWQIMUYABMRD-CQSZACIVSA-N 1 2 335.835 2.303 20 30 EEEDLO CC#CC[NH+]1CCN(CCCNC(=O)c2cc(C(C)C)oc2C)CC1 ZINC001752355257 1406283757 /nfs/dbraw/zinc/28/37/57/1406283757.db2.gz QGIVJCLWBCTELG-UHFFFAOYSA-N 1 2 345.487 2.472 20 30 EEEDLO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+](Cc3nc(C)no3)C2)CCC1 ZINC001752786568 1406406266 /nfs/dbraw/zinc/40/62/66/1406406266.db2.gz 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COCC[N@@H+](CCNC(=O)C1CCC1)Cc1cc(C#N)ccc1F ZINC001394830457 1390755947 /nfs/dbraw/zinc/75/59/47/1390755947.db2.gz PPVUTGQMEHJKJB-UHFFFAOYSA-N 1 2 333.407 2.062 20 30 EEEDLO CC[N@H+](CCNC(=O)C#CC1CC1)[C@H](C)c1nc(-c2ccco2)no1 ZINC001753081531 1406671434 /nfs/dbraw/zinc/67/14/34/1406671434.db2.gz IZMIOJPWGWOPCA-CYBMUJFWSA-N 1 2 342.399 2.242 20 30 EEEDLO CC[N@@H+](CCNC(=O)C#CC1CC1)[C@H](C)c1nc(-c2ccco2)no1 ZINC001753081531 1406671440 /nfs/dbraw/zinc/67/14/40/1406671440.db2.gz IZMIOJPWGWOPCA-CYBMUJFWSA-N 1 2 342.399 2.242 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@H]2CNC(=O)CSCC#N)c(C)s1 ZINC001753099479 1406683213 /nfs/dbraw/zinc/68/32/13/1406683213.db2.gz LQEXKOFBJPGCBP-ZDUSSCGKSA-N 1 2 338.502 2.097 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@H]2CNC(=O)CSCC#N)c(C)s1 ZINC001753099479 1406683224 /nfs/dbraw/zinc/68/32/24/1406683224.db2.gz LQEXKOFBJPGCBP-ZDUSSCGKSA-N 1 2 338.502 2.097 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+]1CCC[C@H]1CNC(=O)CSCC#N ZINC001753100223 1406684423 /nfs/dbraw/zinc/68/44/23/1406684423.db2.gz UFOWXFISVJOJFG-ZDUSSCGKSA-N 1 2 336.461 2.135 20 30 EEEDLO CC(C)c1ocnc1C[N@H+]1CCC[C@H]1CNC(=O)CSCC#N ZINC001753100223 1406684431 /nfs/dbraw/zinc/68/44/31/1406684431.db2.gz UFOWXFISVJOJFG-ZDUSSCGKSA-N 1 2 336.461 2.135 20 30 EEEDLO CCn1ncc(C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)c1C ZINC001399606430 1395306203 /nfs/dbraw/zinc/30/62/03/1395306203.db2.gz NIDWNLBPHWPNGK-UHFFFAOYSA-N 1 2 343.406 2.084 20 30 EEEDLO CCn1ncc(C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)c1C ZINC001399606430 1395306213 /nfs/dbraw/zinc/30/62/13/1395306213.db2.gz NIDWNLBPHWPNGK-UHFFFAOYSA-N 1 2 343.406 2.084 20 30 EEEDLO C[C@H](c1nc(-c2cccs2)no1)[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001401352374 1397183339 /nfs/dbraw/zinc/18/33/39/1397183339.db2.gz CFMPAJDCAUATGR-NWDGAFQWSA-N 1 2 347.444 2.409 20 30 EEEDLO C[C@H](c1nc(-c2cccs2)no1)[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001401352374 1397183346 /nfs/dbraw/zinc/18/33/46/1397183346.db2.gz CFMPAJDCAUATGR-NWDGAFQWSA-N 1 2 347.444 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1c(C)oc2nc[nH]c(=O)c21 ZINC001401754094 1397550040 /nfs/dbraw/zinc/55/00/40/1397550040.db2.gz BRHYTSSPEGPZMU-SECBINFHSA-N 1 2 338.795 2.039 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1c(C)oc2nc[nH]c(=O)c21 ZINC001401754094 1397550043 /nfs/dbraw/zinc/55/00/43/1397550043.db2.gz BRHYTSSPEGPZMU-SECBINFHSA-N 1 2 338.795 2.039 20 30 EEEDLO C#CCN(C(=O)[C@@H](C)[C@H](C)COC)C1CC[NH+](Cc2ccon2)CC1 ZINC001754639027 1406936646 /nfs/dbraw/zinc/93/66/46/1406936646.db2.gz TUGVBUDNDDQTNE-CVEARBPZSA-N 1 2 347.459 2.019 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H](F)Cc1ccccc1)O2 ZINC001755056487 1407062971 /nfs/dbraw/zinc/06/29/71/1407062971.db2.gz CXIXXPPOORMXTN-DLBZAZTESA-N 1 2 332.419 2.103 20 30 EEEDLO COCC#CC[N@@H+]1Cc2ccc(CNC(=O)C3(C4CC4)CC3)cc2C1 ZINC001755102260 1407116053 /nfs/dbraw/zinc/11/60/53/1407116053.db2.gz OKFCKKJAMZPTMX-UHFFFAOYSA-N 1 2 338.451 2.458 20 30 EEEDLO COCC#CC[N@H+]1Cc2ccc(CNC(=O)C3(C4CC4)CC3)cc2C1 ZINC001755102260 1407116056 /nfs/dbraw/zinc/11/60/56/1407116056.db2.gz OKFCKKJAMZPTMX-UHFFFAOYSA-N 1 2 338.451 2.458 20 30 EEEDLO CC(=O)CCCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2C#N)C1 ZINC001423573634 1400647859 /nfs/dbraw/zinc/64/78/59/1400647859.db2.gz YMXDLMXKKXGPQJ-IBGZPJMESA-N 1 2 327.428 2.398 20 30 EEEDLO CC(=O)CCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001423573634 1400647863 /nfs/dbraw/zinc/64/78/63/1400647863.db2.gz YMXDLMXKKXGPQJ-IBGZPJMESA-N 1 2 327.428 2.398 20 30 EEEDLO C#CCCCCCC(=O)N1CCN(C2C[NH+](C[C@@H](F)CC)C2)CC1 ZINC001755145313 1407157719 /nfs/dbraw/zinc/15/77/19/1407157719.db2.gz JLQUTTMIMOHYMJ-KRWDZBQOSA-N 1 2 337.483 2.147 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](Cc2cnn(CC)n2)[C@@H](C)C1 ZINC001755159530 1407165841 /nfs/dbraw/zinc/16/58/41/1407165841.db2.gz HZQXGFBYIWYLMG-GJZGRUSLSA-N 1 2 333.480 2.369 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](Cc2cnn(CC)n2)[C@@H](C)C1 ZINC001755159530 1407165845 /nfs/dbraw/zinc/16/58/45/1407165845.db2.gz HZQXGFBYIWYLMG-GJZGRUSLSA-N 1 2 333.480 2.369 20 30 EEEDLO C=C(Cl)CN1CCc2ccccc2[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001424729542 1401243170 /nfs/dbraw/zinc/24/31/70/1401243170.db2.gz IEFCCSGPPUOTBP-QGZVFWFLSA-N 1 2 344.846 2.420 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[N@@H+](Cc2csc(CC)n2)[C@@H](C)C1 ZINC001755161562 1407170819 /nfs/dbraw/zinc/17/08/19/1407170819.db2.gz XUOKDPOPBWLFMU-LSDHHAIUSA-N 1 2 349.500 2.215 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[N@H+](Cc2csc(CC)n2)[C@@H](C)C1 ZINC001755161562 1407170824 /nfs/dbraw/zinc/17/08/24/1407170824.db2.gz XUOKDPOPBWLFMU-LSDHHAIUSA-N 1 2 349.500 2.215 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H](C)[N@H+](C)Cc1cnnn1-c1ccccc1 ZINC001755310623 1407310418 /nfs/dbraw/zinc/31/04/18/1407310418.db2.gz AYMNEHIEHQZEDG-HNNXBMFYSA-N 1 2 341.459 2.416 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H](C)[N@@H+](C)Cc1cnnn1-c1ccccc1 ZINC001755310623 1407310426 /nfs/dbraw/zinc/31/04/26/1407310426.db2.gz AYMNEHIEHQZEDG-HNNXBMFYSA-N 1 2 341.459 2.416 20 30 EEEDLO C=CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1cnnn1C)c1ccccc1 ZINC001755326945 1407324206 /nfs/dbraw/zinc/32/42/06/1407324206.db2.gz BLBLNKIZSFKMTA-CRAIPNDOSA-N 1 2 341.459 2.112 20 30 EEEDLO C=CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1cnnn1C)c1ccccc1 ZINC001755326945 1407324215 /nfs/dbraw/zinc/32/42/15/1407324215.db2.gz BLBLNKIZSFKMTA-CRAIPNDOSA-N 1 2 341.459 2.112 20 30 EEEDLO C#CCCCCC(=O)NC[C@H]1CCCCC[N@H+]1Cc1nc(C)no1 ZINC001755364925 1407366157 /nfs/dbraw/zinc/36/61/57/1407366157.db2.gz MKRFXYQZEJRTHA-MRXNPFEDSA-N 1 2 332.448 2.432 20 30 EEEDLO C#CCCCCC(=O)NC[C@H]1CCCCC[N@@H+]1Cc1nc(C)no1 ZINC001755364925 1407366161 /nfs/dbraw/zinc/36/61/61/1407366161.db2.gz MKRFXYQZEJRTHA-MRXNPFEDSA-N 1 2 332.448 2.432 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CCCCC[N@@H+]1Cc1nncn1C ZINC001755368747 1407372171 /nfs/dbraw/zinc/37/21/71/1407372171.db2.gz RHQVGBHNZXZPPQ-HZPDHXFCSA-N 1 2 333.480 2.278 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CCCCC[N@H+]1Cc1nncn1C ZINC001755368747 1407372176 /nfs/dbraw/zinc/37/21/76/1407372176.db2.gz RHQVGBHNZXZPPQ-HZPDHXFCSA-N 1 2 333.480 2.278 20 30 EEEDLO Cc1nc([C@H](C)[NH2+]C[C@@H](C2CC2)N(C)C(=O)C#CC(C)(C)C)no1 ZINC001755570518 1407641126 /nfs/dbraw/zinc/64/11/26/1407641126.db2.gz CKUWGDUECWBSAR-WFASDCNBSA-N 1 2 332.448 2.315 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OC)nn2)[C@H]1C ZINC001755716461 1407771984 /nfs/dbraw/zinc/77/19/84/1407771984.db2.gz AFCHFWLXRTWZGD-GOEBONIOSA-N 1 2 332.448 2.311 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OC)nn2)[C@H]1C ZINC001755716461 1407771986 /nfs/dbraw/zinc/77/19/86/1407771986.db2.gz AFCHFWLXRTWZGD-GOEBONIOSA-N 1 2 332.448 2.311 20 30 EEEDLO C=CCCCC(=O)N(C)C[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001755917316 1407991435 /nfs/dbraw/zinc/99/14/35/1407991435.db2.gz MGIOTRCCUSTEKJ-NVXWUHKLSA-N 1 2 346.475 2.394 20 30 EEEDLO C=CCCCC(=O)N(C)C[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001755917316 1407991443 /nfs/dbraw/zinc/99/14/43/1407991443.db2.gz MGIOTRCCUSTEKJ-NVXWUHKLSA-N 1 2 346.475 2.394 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(C)C1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001755984847 1408055016 /nfs/dbraw/zinc/05/50/16/1408055016.db2.gz AHKNJPDOKIBVTP-KJXMEXGPSA-N 1 2 346.475 2.440 20 30 EEEDLO C=CCCC(=O)N(C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001756362537 1408372761 /nfs/dbraw/zinc/37/27/61/1408372761.db2.gz ZWUUXLCXSNBZQK-UHFFFAOYSA-N 1 2 346.475 2.342 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001757093936 1409570350 /nfs/dbraw/zinc/57/03/50/1409570350.db2.gz SXVGDSFRGACETB-RBSFLKMASA-N 1 2 332.448 2.010 20 30 EEEDLO C[C@@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1cccc(C#N)c1 ZINC001771872143 1409969737 /nfs/dbraw/zinc/96/97/37/1409969737.db2.gz PMTJXNDBZHVUGE-LLVKDONJSA-N 1 2 335.454 2.410 20 30 EEEDLO C=CCCC(=O)NCC[NH2+]Cc1nc(-c2ccc(OCC)cc2)no1 ZINC001124646343 1410338776 /nfs/dbraw/zinc/33/87/76/1410338776.db2.gz OIDCGHMLZSKFHI-UHFFFAOYSA-N 1 2 344.415 2.307 20 30 EEEDLO C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)CNc1ncc(C#N)cc1Cl ZINC001103942911 1410767567 /nfs/dbraw/zinc/76/75/67/1410767567.db2.gz BPDPEBUBRQRARI-LLVKDONJSA-N 1 2 346.822 2.127 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H](C)[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001112325913 1410886879 /nfs/dbraw/zinc/88/68/79/1410886879.db2.gz XLTGXSVRMFOQQJ-WMLDXEAASA-N 1 2 343.475 2.080 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H](C)[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001112325913 1410886890 /nfs/dbraw/zinc/88/68/90/1410886890.db2.gz XLTGXSVRMFOQQJ-WMLDXEAASA-N 1 2 343.475 2.080 20 30 EEEDLO Cc1cc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)c(C)[nH]1 ZINC001032012153 782273880 /nfs/dbraw/zinc/27/38/80/782273880.db2.gz BYWOAAKAEXTTSP-UHFFFAOYSA-N 1 2 339.414 2.484 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H](C)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001104233593 757367845 /nfs/dbraw/zinc/36/78/45/757367845.db2.gz BOZALMJNHZGDIZ-QWHCGFSZSA-N 1 2 340.431 2.028 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H](C)CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001104233593 757367858 /nfs/dbraw/zinc/36/78/58/757367858.db2.gz BOZALMJNHZGDIZ-QWHCGFSZSA-N 1 2 340.431 2.028 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H](CNc3cc[nH+]c(C)n3)C2)CCOCC1 ZINC001098541996 758078494 /nfs/dbraw/zinc/07/84/94/758078494.db2.gz AMHNJBMCVXLVIR-MRXNPFEDSA-N 1 2 344.459 2.418 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CCO1 ZINC001104340055 759566148 /nfs/dbraw/zinc/56/61/48/759566148.db2.gz SQVHGZYJKDRAEG-SUMWQHHRSA-N 1 2 346.475 2.326 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(Cl)c(CCC)c3)[C@H]2C1 ZINC001083248282 760701332 /nfs/dbraw/zinc/70/13/32/760701332.db2.gz YRGRACPBRANYHQ-ZWKOTPCHSA-N 1 2 346.858 2.451 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(Cl)c(CCC)c3)[C@H]2C1 ZINC001083248282 760701341 /nfs/dbraw/zinc/70/13/41/760701341.db2.gz YRGRACPBRANYHQ-ZWKOTPCHSA-N 1 2 346.858 2.451 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1(Nc2cc[nH+]c(C)n2)CCCC1 ZINC001104434181 760794529 /nfs/dbraw/zinc/79/45/29/760794529.db2.gz SPQXHMFRKVOPAF-CABCVRRESA-N 1 2 330.432 2.217 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001098574035 760924698 /nfs/dbraw/zinc/92/46/98/760924698.db2.gz XKHKDEVDCRNMDR-CABCVRRESA-N 1 2 346.479 2.109 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(C2CCC2)nn1 ZINC001024442670 761380422 /nfs/dbraw/zinc/38/04/22/761380422.db2.gz VJZXTJAYHDMSEE-AWEZNQCLSA-N 1 2 337.855 2.340 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cn(C2CCC2)nn1 ZINC001024442670 761380431 /nfs/dbraw/zinc/38/04/31/761380431.db2.gz VJZXTJAYHDMSEE-AWEZNQCLSA-N 1 2 337.855 2.340 20 30 EEEDLO C[C@H](CNc1ncc(C#N)cc1Cl)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001104553733 761844292 /nfs/dbraw/zinc/84/42/92/761844292.db2.gz POMKPVFKTXMAFX-LLVKDONJSA-N 1 2 346.822 2.221 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCc4ccccc43)[C@H]2C1 ZINC001083282189 764891410 /nfs/dbraw/zinc/89/14/10/764891410.db2.gz SGLRPORLKNCMGN-YZGWKJHDSA-N 1 2 338.451 2.041 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCc4ccccc43)[C@H]2C1 ZINC001083282189 764891415 /nfs/dbraw/zinc/89/14/15/764891415.db2.gz SGLRPORLKNCMGN-YZGWKJHDSA-N 1 2 338.451 2.041 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1Cc1nncs1 ZINC001087379180 764982176 /nfs/dbraw/zinc/98/21/76/764982176.db2.gz ZLPYZKNMYMJYGE-XQLPTFJDSA-N 1 2 346.500 2.419 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1Cc1nncs1 ZINC001087379180 764982180 /nfs/dbraw/zinc/98/21/80/764982180.db2.gz ZLPYZKNMYMJYGE-XQLPTFJDSA-N 1 2 346.500 2.419 20 30 EEEDLO C[C@@H](CNc1ccc(C#N)cn1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001104834623 765390980 /nfs/dbraw/zinc/39/09/80/765390980.db2.gz YFWVKJZFJATIAV-KBPBESRZSA-N 1 2 326.404 2.060 20 30 EEEDLO C=CCCC(=O)N1CC(n2cc(C[NH2+]Cc3ccc(F)cc3)nn2)C1 ZINC001105184922 769283975 /nfs/dbraw/zinc/28/39/75/769283975.db2.gz CLKSTRHRGOGFBR-UHFFFAOYSA-N 1 2 343.406 2.057 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)C(C)C ZINC001105230898 769398992 /nfs/dbraw/zinc/39/89/92/769398992.db2.gz BKDPXVVKJKHDSS-CQSZACIVSA-N 1 2 348.495 2.401 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)OCC)C[C@@H]21 ZINC001222310519 769509273 /nfs/dbraw/zinc/50/92/73/769509273.db2.gz PZLFELGAJIYWPZ-MCIONIFRSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)OCC)C[C@@H]21 ZINC001222310519 769509277 /nfs/dbraw/zinc/50/92/77/769509277.db2.gz PZLFELGAJIYWPZ-MCIONIFRSA-N 1 2 345.281 2.243 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)c1ccc[nH]1 ZINC001031544103 769515343 /nfs/dbraw/zinc/51/53/43/769515343.db2.gz WVVIDFYFGHJNNW-UHFFFAOYSA-N 1 2 327.815 2.381 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H](C)C[C@H](C)Nc2[nH+]cnc3c2cnn3C)C1 ZINC001089475713 769631175 /nfs/dbraw/zinc/63/11/75/769631175.db2.gz ZUKLYWPLFITOKT-STQMWFEESA-N 1 2 342.447 2.415 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ccc(F)nc3)C2)c(F)c1 ZINC001031582369 769841896 /nfs/dbraw/zinc/84/18/96/769841896.db2.gz VLISZTYABNSXIP-UHFFFAOYSA-N 1 2 342.349 2.093 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)n3CC)C[C@@H]2C)C1 ZINC000942602197 782832916 /nfs/dbraw/zinc/83/29/16/782832916.db2.gz FNNYKSCTAQRCAJ-HOCLYGCPSA-N 1 2 345.491 2.289 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)n3CC)C[C@@H]2C)C1 ZINC000942602197 782832923 /nfs/dbraw/zinc/83/29/23/782832923.db2.gz FNNYKSCTAQRCAJ-HOCLYGCPSA-N 1 2 345.491 2.289 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+]2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001027812045 770448049 /nfs/dbraw/zinc/44/80/49/770448049.db2.gz CQTYQUHRQYGIJC-JSGCOSHPSA-N 1 2 327.388 2.138 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+]2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)o1 ZINC001027812045 770448054 /nfs/dbraw/zinc/44/80/54/770448054.db2.gz CQTYQUHRQYGIJC-JSGCOSHPSA-N 1 2 327.388 2.138 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001027813032 770469806 /nfs/dbraw/zinc/46/98/06/770469806.db2.gz MEWFBGWRDQJPFH-AWEZNQCLSA-N 1 2 341.415 2.392 20 30 EEEDLO CC(C)c1ocnc1C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001027813032 770469809 /nfs/dbraw/zinc/46/98/09/770469809.db2.gz MEWFBGWRDQJPFH-AWEZNQCLSA-N 1 2 341.415 2.392 20 30 EEEDLO C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031638353 770526583 /nfs/dbraw/zinc/52/65/83/770526583.db2.gz WATTZEDKXDSUKM-SUMWQHHRSA-N 1 2 345.418 2.060 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@@H]3CCCOCC3)C2)c1 ZINC001031641998 770553007 /nfs/dbraw/zinc/55/30/07/770553007.db2.gz ZFVNDRAZCIYBJB-MRXNPFEDSA-N 1 2 345.418 2.062 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(CC)no3)C[C@@H]2C)C1 ZINC000942608125 782849706 /nfs/dbraw/zinc/84/97/06/782849706.db2.gz PUEIQLZWMVGMLV-UONOGXRCSA-N 1 2 332.448 2.315 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nc(CC)no3)C[C@@H]2C)C1 ZINC000942608125 782849712 /nfs/dbraw/zinc/84/97/12/782849712.db2.gz PUEIQLZWMVGMLV-UONOGXRCSA-N 1 2 332.448 2.315 20 30 EEEDLO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1ccc(C#N)c(O)c1 ZINC000785409844 782929648 /nfs/dbraw/zinc/92/96/48/782929648.db2.gz MDPLRTXPIXQQKZ-UHFFFAOYSA-N 1 2 333.351 2.083 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CCC[C@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001098719391 782933296 /nfs/dbraw/zinc/93/32/96/782933296.db2.gz MAYKUPPKHPISFC-QFBILLFUSA-N 1 2 346.475 2.441 20 30 EEEDLO CCN(CCNc1cccc(F)c1C#N)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001106987748 783045183 /nfs/dbraw/zinc/04/51/83/783045183.db2.gz WJRQPLNJQGZDJZ-CHWSQXEVSA-N 1 2 341.390 2.485 20 30 EEEDLO CCN(CCNc1cccc(F)c1C#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001106987748 783045187 /nfs/dbraw/zinc/04/51/87/783045187.db2.gz WJRQPLNJQGZDJZ-CHWSQXEVSA-N 1 2 341.390 2.485 20 30 EEEDLO CCN(CCNc1ccc(C#N)c(C)n1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001106987431 783066190 /nfs/dbraw/zinc/06/61/90/783066190.db2.gz HPNSQLUUXLQDAV-HUUCEWRRSA-N 1 2 338.415 2.049 20 30 EEEDLO CCN(CCNc1ccc(C#N)c(C)n1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001106987431 783066194 /nfs/dbraw/zinc/06/61/94/783066194.db2.gz HPNSQLUUXLQDAV-HUUCEWRRSA-N 1 2 338.415 2.049 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccnc(Cl)c2)[nH]1 ZINC001027833813 773214865 /nfs/dbraw/zinc/21/48/65/773214865.db2.gz SCSDKABYMSGQRK-CQSZACIVSA-N 1 2 343.818 2.329 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccnc(Cl)c2)[nH]1 ZINC001027833813 773214870 /nfs/dbraw/zinc/21/48/70/773214870.db2.gz SCSDKABYMSGQRK-CQSZACIVSA-N 1 2 343.818 2.329 20 30 EEEDLO CC[C@@H]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)O1 ZINC001031708671 773524091 /nfs/dbraw/zinc/52/40/91/773524091.db2.gz QGBXZAUDJYZZBY-AEFFLSMTSA-N 1 2 345.418 2.203 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC000938587429 774169133 /nfs/dbraw/zinc/16/91/33/774169133.db2.gz RHRULSKGESZVFL-GDBMZVCRSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC000938587429 774169136 /nfs/dbraw/zinc/16/91/36/774169136.db2.gz RHRULSKGESZVFL-GDBMZVCRSA-N 1 2 344.459 2.004 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000947709223 774184706 /nfs/dbraw/zinc/18/47/06/774184706.db2.gz WVAUAXVLEBXPSY-UHFFFAOYSA-N 1 2 340.427 2.496 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060756557 774412615 /nfs/dbraw/zinc/41/26/15/774412615.db2.gz UYTYYIVSXGVRLC-GPMSIDNRSA-N 1 2 346.475 2.277 20 30 EEEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1nonc1C ZINC001089735788 774817079 /nfs/dbraw/zinc/81/70/79/774817079.db2.gz ITWOJEMYQRRPFC-GFCCVEGCSA-N 1 2 326.828 2.351 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1nonc1C ZINC001089735788 774817086 /nfs/dbraw/zinc/81/70/86/774817086.db2.gz ITWOJEMYQRRPFC-GFCCVEGCSA-N 1 2 326.828 2.351 20 30 EEEDLO C=C1CCC(C(=O)N2CC[NH+](CCn3nc(C)cc3C)CC2)CC1 ZINC000950047538 775521409 /nfs/dbraw/zinc/52/14/09/775521409.db2.gz YLFIYNQFRLKRPE-UHFFFAOYSA-N 1 2 330.476 2.391 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001028022293 776259349 /nfs/dbraw/zinc/25/93/49/776259349.db2.gz HXFVSDONODBJGF-HRCADAONSA-N 1 2 326.868 2.382 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001028022293 776259356 /nfs/dbraw/zinc/25/93/56/776259356.db2.gz HXFVSDONODBJGF-HRCADAONSA-N 1 2 326.868 2.382 20 30 EEEDLO C#CCOCCC(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001091368929 790463586 /nfs/dbraw/zinc/46/35/86/790463586.db2.gz GLYOMUXWSHEKGP-IYBDPMFKSA-N 1 2 344.459 2.255 20 30 EEEDLO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)nn1 ZINC000981133551 776572384 /nfs/dbraw/zinc/57/23/84/776572384.db2.gz GAWJFIDCOAZXPS-UHFFFAOYSA-N 1 2 341.440 2.066 20 30 EEEDLO Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)nn1 ZINC000981133551 776572389 /nfs/dbraw/zinc/57/23/89/776572389.db2.gz GAWJFIDCOAZXPS-UHFFFAOYSA-N 1 2 341.440 2.066 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC000981313444 777137552 /nfs/dbraw/zinc/13/75/52/777137552.db2.gz DBIYMNCUSQKGOM-HUUCEWRRSA-N 1 2 341.390 2.251 20 30 EEEDLO C[C@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccccc3C#N)CC2)CO1 ZINC000981490981 777513009 /nfs/dbraw/zinc/51/30/09/777513009.db2.gz OEEWHABXWDTLIT-MAUKXSAKSA-N 1 2 327.428 2.018 20 30 EEEDLO C[C@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)CO1 ZINC000981490981 777513015 /nfs/dbraw/zinc/51/30/15/777513015.db2.gz OEEWHABXWDTLIT-MAUKXSAKSA-N 1 2 327.428 2.018 20 30 EEEDLO C[C@@H]1CO[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC001031857620 777606914 /nfs/dbraw/zinc/60/69/14/777606914.db2.gz DGLCBUKHQYHSHB-KSSFIOAISA-N 1 2 346.858 2.165 20 30 EEEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H](C)CCCC)CC2 ZINC001127990459 790565675 /nfs/dbraw/zinc/56/56/75/790565675.db2.gz FDZCZTPMINLLSV-HOTGVXAUSA-N 1 2 345.491 2.038 20 30 EEEDLO Cc1nnc([C@@H](C)[N@@H+]2CCCC3(CN(C(=O)C#CC4CC4)C3)C2)s1 ZINC000981761320 778154715 /nfs/dbraw/zinc/15/47/15/778154715.db2.gz JCAKUMDWDSYMQK-CYBMUJFWSA-N 1 2 344.484 2.245 20 30 EEEDLO Cc1nnc([C@@H](C)[N@H+]2CCCC3(CN(C(=O)C#CC4CC4)C3)C2)s1 ZINC000981761320 778154719 /nfs/dbraw/zinc/15/47/19/778154719.db2.gz JCAKUMDWDSYMQK-CYBMUJFWSA-N 1 2 344.484 2.245 20 30 EEEDLO C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ncccc2C#N)C1)n1cc[nH+]c1 ZINC001091408204 790621152 /nfs/dbraw/zinc/62/11/52/790621152.db2.gz PSZSQWMIPBFHHO-FMKPAKJESA-N 1 2 338.415 2.108 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC001028240528 779559413 /nfs/dbraw/zinc/55/94/13/779559413.db2.gz ZCYGWFSANOGXLD-HNNXBMFYSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC001028240528 779559419 /nfs/dbraw/zinc/55/94/19/779559419.db2.gz ZCYGWFSANOGXLD-HNNXBMFYSA-N 1 2 345.834 2.418 20 30 EEEDLO C[C@]12CN(CC#N)C[C@@]1(C)CN(C(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000982407247 780020973 /nfs/dbraw/zinc/02/09/73/780020973.db2.gz KNYMXRPITPVHLG-BGYRXZFFSA-N 1 2 349.438 2.180 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N(C)CCN(C)c1nc(C)[nH+]c(C)c1C ZINC001105363258 780667895 /nfs/dbraw/zinc/66/78/95/780667895.db2.gz TYQQJZSJYCQRFH-HNNXBMFYSA-N 1 2 334.464 2.278 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000941529566 780669012 /nfs/dbraw/zinc/66/90/12/780669012.db2.gz PZRHJBROAXUHHY-KUHUBIRLSA-N 1 2 340.427 2.267 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1Cc2cccc(F)c2O1 ZINC001028325420 780737939 /nfs/dbraw/zinc/73/79/39/780737939.db2.gz FLEWFNVFWSFKGV-DZGCQCFKSA-N 1 2 338.810 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1Cc2cccc(F)c2O1 ZINC001028325420 780737941 /nfs/dbraw/zinc/73/79/41/780737941.db2.gz FLEWFNVFWSFKGV-DZGCQCFKSA-N 1 2 338.810 2.462 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)C1CC2(CC2)C1 ZINC001031963734 780839971 /nfs/dbraw/zinc/83/99/71/780839971.db2.gz VOEPBAQUCMLLAB-UHFFFAOYSA-N 1 2 326.415 2.415 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCOC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087515540 781631308 /nfs/dbraw/zinc/63/13/08/781631308.db2.gz RLROSRJSVURULQ-JCGIZDLHSA-N 1 2 345.418 2.203 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCOC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087515540 781631313 /nfs/dbraw/zinc/63/13/13/781631313.db2.gz RLROSRJSVURULQ-JCGIZDLHSA-N 1 2 345.418 2.203 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCO2)[C@H]1CC ZINC001087543514 781785355 /nfs/dbraw/zinc/78/53/55/781785355.db2.gz YANLBOLZNLWMHI-MJBXVCDLSA-N 1 2 345.281 2.433 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCO2)[C@H]1CC ZINC001087543514 781785359 /nfs/dbraw/zinc/78/53/59/781785359.db2.gz YANLBOLZNLWMHI-MJBXVCDLSA-N 1 2 345.281 2.433 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2nnc(C)o2)C[C@H]1C ZINC000942131664 781792748 /nfs/dbraw/zinc/79/27/48/781792748.db2.gz XWDWSTHWYMYXEN-UKRRQHHQSA-N 1 2 343.431 2.006 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2nnc(C)o2)C[C@H]1C ZINC000942131664 781792756 /nfs/dbraw/zinc/79/27/56/781792756.db2.gz XWDWSTHWYMYXEN-UKRRQHHQSA-N 1 2 343.431 2.006 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001108102005 783345801 /nfs/dbraw/zinc/34/58/01/783345801.db2.gz XTLJCQHQACXKOT-MRXNPFEDSA-N 1 2 340.855 2.124 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001108102005 783345810 /nfs/dbraw/zinc/34/58/10/783345810.db2.gz XTLJCQHQACXKOT-MRXNPFEDSA-N 1 2 340.855 2.124 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001033313143 783511644 /nfs/dbraw/zinc/51/16/44/783511644.db2.gz IBWUCNQXHMPUEZ-CQSZACIVSA-N 1 2 347.850 2.110 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(C)c2-n2cccc2)C1 ZINC001033313143 783511653 /nfs/dbraw/zinc/51/16/53/783511653.db2.gz IBWUCNQXHMPUEZ-CQSZACIVSA-N 1 2 347.850 2.110 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001131976461 783540189 /nfs/dbraw/zinc/54/01/89/783540189.db2.gz KRACFAKTQCGLIG-DLBZAZTESA-N 1 2 349.519 2.311 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001131976461 783540196 /nfs/dbraw/zinc/54/01/96/783540196.db2.gz KRACFAKTQCGLIG-DLBZAZTESA-N 1 2 349.519 2.311 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001033321967 783558101 /nfs/dbraw/zinc/55/81/01/783558101.db2.gz IZWJFRYAJUUKBK-CQSZACIVSA-N 1 2 347.850 2.245 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001033321967 783558102 /nfs/dbraw/zinc/55/81/02/783558102.db2.gz IZWJFRYAJUUKBK-CQSZACIVSA-N 1 2 347.850 2.245 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(CCC)no2)C1 ZINC001035044932 783610159 /nfs/dbraw/zinc/61/01/59/783610159.db2.gz RKNAJATYWQGUFA-CQSZACIVSA-N 1 2 332.448 2.459 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(F)(F)C(F)F)c1 ZINC001135437388 783767771 /nfs/dbraw/zinc/76/77/71/783767771.db2.gz CVCSDXYWGXURDM-WDEREUQCSA-N 1 2 345.340 2.450 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000906394550 783877121 /nfs/dbraw/zinc/87/71/21/783877121.db2.gz UOLLAGJGSMDGPV-ROUUACIJSA-N 1 2 330.428 2.439 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC001035372358 784391341 /nfs/dbraw/zinc/39/13/41/784391341.db2.gz AYGJRECJSSYFGM-KSZLIROESA-N 1 2 328.456 2.429 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC001035372358 784391345 /nfs/dbraw/zinc/39/13/45/784391345.db2.gz AYGJRECJSSYFGM-KSZLIROESA-N 1 2 328.456 2.429 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001035374148 784392452 /nfs/dbraw/zinc/39/24/52/784392452.db2.gz YLNPXFGNKDBDDD-MRXNPFEDSA-N 1 2 331.460 2.386 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001035374148 784392461 /nfs/dbraw/zinc/39/24/61/784392461.db2.gz YLNPXFGNKDBDDD-MRXNPFEDSA-N 1 2 331.460 2.386 20 30 EEEDLO N#Cc1ccc(C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)nc1 ZINC000817182728 784561467 /nfs/dbraw/zinc/56/14/67/784561467.db2.gz CJNCDKBSYJVHNK-UHFFFAOYSA-N 1 2 337.379 2.142 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001035591407 784802616 /nfs/dbraw/zinc/80/26/16/784802616.db2.gz WANJDKHTLCOLDX-GOSISDBHSA-N 1 2 331.460 2.149 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001035591407 784802626 /nfs/dbraw/zinc/80/26/26/784802626.db2.gz WANJDKHTLCOLDX-GOSISDBHSA-N 1 2 331.460 2.149 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001035622990 784814288 /nfs/dbraw/zinc/81/42/88/784814288.db2.gz YVNNGIDEKQIYGG-KKXNLOMOSA-N 1 2 326.440 2.111 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001035622990 784814298 /nfs/dbraw/zinc/81/42/98/784814298.db2.gz YVNNGIDEKQIYGG-KKXNLOMOSA-N 1 2 326.440 2.111 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(F)(F)C(F)F)cn1 ZINC001135961206 784901977 /nfs/dbraw/zinc/90/19/77/784901977.db2.gz NIHZYYXVRDCKQQ-WDEREUQCSA-N 1 2 345.340 2.450 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC2(C[NH+](Cc3ccc(Cl)nc3)C2)CC1 ZINC001035674490 784916734 /nfs/dbraw/zinc/91/67/34/784916734.db2.gz XXAGQRSRQYZTGH-ZDUSSCGKSA-N 1 2 332.835 2.319 20 30 EEEDLO N#Cc1cc(C(=O)N2CCC3(C[NH+](Cc4nccs4)C3)CC2)c[nH]1 ZINC001035687034 784940977 /nfs/dbraw/zinc/94/09/77/784940977.db2.gz YHWNGJAZCCDILG-UHFFFAOYSA-N 1 2 341.440 2.081 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCc3nccn3C1)CC2 ZINC001035735390 785043384 /nfs/dbraw/zinc/04/33/84/785043384.db2.gz VBLQKRKVDPVKGJ-HNNXBMFYSA-N 1 2 348.878 2.122 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCn3nccc31)CC2 ZINC001035739912 785053864 /nfs/dbraw/zinc/05/38/64/785053864.db2.gz GDSLRMQWWFTVBF-HNNXBMFYSA-N 1 2 348.878 2.437 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2[C@@H](CCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000946003457 785283839 /nfs/dbraw/zinc/28/38/39/785283839.db2.gz WIPAZFAYNVSUBY-HOCLYGCPSA-N 1 2 344.459 2.004 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2[C@@H](CCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000946003457 785283843 /nfs/dbraw/zinc/28/38/43/785283843.db2.gz WIPAZFAYNVSUBY-HOCLYGCPSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC13CCOCC3)CC2 ZINC001035862061 785310269 /nfs/dbraw/zinc/31/02/69/785310269.db2.gz DVDSZKXPIJTBGY-OAHLLOKOSA-N 1 2 338.879 2.480 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N(C(C)=O)[C@H]2C[C@@H]2C)cc1 ZINC000819099126 785401386 /nfs/dbraw/zinc/40/13/86/785401386.db2.gz QAHWLMMASNICSJ-JVPBZIDWSA-N 1 2 339.439 2.484 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N(C(C)=O)[C@H]2C[C@@H]2C)cc1 ZINC000819099126 785401391 /nfs/dbraw/zinc/40/13/91/785401391.db2.gz QAHWLMMASNICSJ-JVPBZIDWSA-N 1 2 339.439 2.484 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001078994905 785593349 /nfs/dbraw/zinc/59/33/49/785593349.db2.gz JLAGZQKIJZYMRB-IRXDYDNUSA-N 1 2 346.475 2.325 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](OCC)C(C)C)CC2)C1 ZINC001105708395 786099763 /nfs/dbraw/zinc/09/97/63/786099763.db2.gz FBNFPVYCBLANAK-GOSISDBHSA-N 1 2 338.492 2.315 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC/C=C\CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107148273 786108421 /nfs/dbraw/zinc/10/84/21/786108421.db2.gz FPBYQOODWJZIGJ-OOFWQKGWSA-N 1 2 330.432 2.074 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)c3ccc(C)s3)nn2)C1 ZINC001107229365 786562247 /nfs/dbraw/zinc/56/22/47/786562247.db2.gz IVFWVKFQFOGMAD-ZDUSSCGKSA-N 1 2 345.472 2.111 20 30 EEEDLO Cc1nsc(NC/C=C\CNC(=O)CCCn2cc[nH+]c2)c1C#N ZINC001107237915 786589093 /nfs/dbraw/zinc/58/90/93/786589093.db2.gz YVCUOMVLUKDOIU-IHWYPQMZSA-N 1 2 344.444 2.084 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCCC3CCCC3)nn2)C1 ZINC001107238708 786590283 /nfs/dbraw/zinc/59/02/83/786590283.db2.gz MCIIZRDGGKHRKN-UHFFFAOYSA-N 1 2 331.464 2.298 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ncoc3C(C)C)C[C@@H]2O)C1 ZINC001090555394 786914645 /nfs/dbraw/zinc/91/46/45/786914645.db2.gz KAMIHHDBDFXDQL-HOCLYGCPSA-N 1 2 347.459 2.206 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ncoc3C(C)C)C[C@@H]2O)C1 ZINC001090555394 786914650 /nfs/dbraw/zinc/91/46/50/786914650.db2.gz KAMIHHDBDFXDQL-HOCLYGCPSA-N 1 2 347.459 2.206 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCCO[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001090581753 787056338 /nfs/dbraw/zinc/05/63/38/787056338.db2.gz ZAOORBXYBMEXPC-HOCLYGCPSA-N 1 2 332.448 2.417 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(C)(C)C)C2 ZINC001109606455 805758616 /nfs/dbraw/zinc/75/86/16/805758616.db2.gz APSDVMWMGIGHHJ-ILXRZTDVSA-N 1 2 335.492 2.082 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(C)(C)C)C2 ZINC001109606455 805758618 /nfs/dbraw/zinc/75/86/18/805758618.db2.gz APSDVMWMGIGHHJ-ILXRZTDVSA-N 1 2 335.492 2.082 20 30 EEEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCc1c(F)cccc1F ZINC001032318420 787226545 /nfs/dbraw/zinc/22/65/45/787226545.db2.gz NBOSCZYRFJIBCQ-RDBSUJKOSA-N 1 2 333.382 2.342 20 30 EEEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCc1c(F)cccc1F ZINC001032318420 787226550 /nfs/dbraw/zinc/22/65/50/787226550.db2.gz NBOSCZYRFJIBCQ-RDBSUJKOSA-N 1 2 333.382 2.342 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1 ZINC001109634759 805783063 /nfs/dbraw/zinc/78/30/63/805783063.db2.gz WOFCKTOBCMPHTJ-BGTYHANMSA-N 1 2 347.503 2.227 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1 ZINC001109634759 805783070 /nfs/dbraw/zinc/78/30/70/805783070.db2.gz WOFCKTOBCMPHTJ-BGTYHANMSA-N 1 2 347.503 2.227 20 30 EEEDLO C#CCCCCC(=O)NC[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001062171339 787532843 /nfs/dbraw/zinc/53/28/43/787532843.db2.gz HQQZDEWKSVXTNW-MRXNPFEDSA-N 1 2 344.459 2.033 20 30 EEEDLO C=CCC(C)(C)C(=O)NC/C=C\CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107541427 787555045 /nfs/dbraw/zinc/55/50/45/787555045.db2.gz VMNMGLGVBMKLQN-SREVYHEPSA-N 1 2 343.475 2.151 20 30 EEEDLO C=CCC(C)(C)C(=O)NC/C=C\CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107541427 787555052 /nfs/dbraw/zinc/55/50/52/787555052.db2.gz VMNMGLGVBMKLQN-SREVYHEPSA-N 1 2 343.475 2.151 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001062183696 787556703 /nfs/dbraw/zinc/55/67/03/787556703.db2.gz YOGJJWSQYVLIEI-BQFCYCMXSA-N 1 2 344.459 2.051 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(OC)n1 ZINC001109633262 805802688 /nfs/dbraw/zinc/80/26/88/805802688.db2.gz UTPNYZYHGUUVSW-SIXLDLHFSA-N 1 2 344.459 2.309 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(OC)n1 ZINC001109633262 805802699 /nfs/dbraw/zinc/80/26/99/805802699.db2.gz UTPNYZYHGUUVSW-SIXLDLHFSA-N 1 2 344.459 2.309 20 30 EEEDLO Cc1nc(C)c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)o1 ZINC001032331799 787732152 /nfs/dbraw/zinc/73/21/52/787732152.db2.gz KGXYZAKUSHHXSX-IRXDYDNUSA-N 1 2 336.395 2.262 20 30 EEEDLO Cc1nc(C)c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)o1 ZINC001032331799 787732158 /nfs/dbraw/zinc/73/21/58/787732158.db2.gz KGXYZAKUSHHXSX-IRXDYDNUSA-N 1 2 336.395 2.262 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001060770649 787796410 /nfs/dbraw/zinc/79/64/10/787796410.db2.gz DCZGOGRXYJEPDH-WKILWMFISA-N 1 2 346.475 2.277 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3nc(C)ccc3o2)[C@H](O)C1 ZINC001090737502 787971196 /nfs/dbraw/zinc/97/11/96/787971196.db2.gz PTCPCOYFTRHLLA-TZMCWYRMSA-N 1 2 349.818 2.054 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3nc(C)ccc3o2)[C@H](O)C1 ZINC001090737502 787971199 /nfs/dbraw/zinc/97/11/99/787971199.db2.gz PTCPCOYFTRHLLA-TZMCWYRMSA-N 1 2 349.818 2.054 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(F)cc2C)[C@@H](O)C1 ZINC001090745341 788023613 /nfs/dbraw/zinc/02/36/13/788023613.db2.gz AOEVAKOAUXTIRZ-GJZGRUSLSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2C)[C@@H](O)C1 ZINC001090745341 788023622 /nfs/dbraw/zinc/02/36/22/788023622.db2.gz AOEVAKOAUXTIRZ-GJZGRUSLSA-N 1 2 326.799 2.052 20 30 EEEDLO C#CCC[NH+]1CCC(N(C)C(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC001005811958 788314248 /nfs/dbraw/zinc/31/42/48/788314248.db2.gz QBDPACOAMCCDHR-UHFFFAOYSA-N 1 2 337.427 2.031 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001108167752 788552146 /nfs/dbraw/zinc/55/21/46/788552146.db2.gz QBHWZXDIJVFBSG-INIZCTEOSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001108167752 788552155 /nfs/dbraw/zinc/55/21/55/788552155.db2.gz QBHWZXDIJVFBSG-INIZCTEOSA-N 1 2 326.799 2.486 20 30 EEEDLO Cc1ccc(F)cc1C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)C#N)C1 ZINC001107819186 788564746 /nfs/dbraw/zinc/56/47/46/788564746.db2.gz MHHSPVMWPAWXQF-KSSFIOAISA-N 1 2 333.407 2.001 20 30 EEEDLO Cc1ccc(F)cc1C[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)C#N)C1 ZINC001107819186 788564757 /nfs/dbraw/zinc/56/47/57/788564757.db2.gz MHHSPVMWPAWXQF-KSSFIOAISA-N 1 2 333.407 2.001 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001077722985 788674632 /nfs/dbraw/zinc/67/46/32/788674632.db2.gz LFRCVAJCLXHURR-KBPBESRZSA-N 1 2 334.464 2.202 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001077722985 788674636 /nfs/dbraw/zinc/67/46/36/788674636.db2.gz LFRCVAJCLXHURR-KBPBESRZSA-N 1 2 334.464 2.202 20 30 EEEDLO CC1=NC2(CC[NH+](Cc3c(Cl)cccc3C#N)CC2)C(=O)N1C ZINC001143731985 788805702 /nfs/dbraw/zinc/80/57/02/788805702.db2.gz KTKWDKJTIXBDCB-UHFFFAOYSA-N 1 2 330.819 2.437 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)OCc1ccncc1)C2 ZINC001109738684 805915723 /nfs/dbraw/zinc/91/57/23/805915723.db2.gz YWWSZAWMVPGLQI-ORQFMDKSSA-N 1 2 349.862 2.461 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)OCc1ccncc1)C2 ZINC001109738684 805915731 /nfs/dbraw/zinc/91/57/31/805915731.db2.gz YWWSZAWMVPGLQI-ORQFMDKSSA-N 1 2 349.862 2.461 20 30 EEEDLO Cc1ccc(C#N)c(NC2CC(N(C)C(=O)CCc3c[nH]c[nH+]3)C2)n1 ZINC001127091841 789055186 /nfs/dbraw/zinc/05/51/86/789055186.db2.gz DZDDJCNNOSTVOO-UHFFFAOYSA-N 1 2 338.415 2.019 20 30 EEEDLO Cc1ccc(C#N)c(NC2CC(N(C)C(=O)CCc3c[nH+]c[nH]3)C2)n1 ZINC001127091841 789055190 /nfs/dbraw/zinc/05/51/90/789055190.db2.gz DZDDJCNNOSTVOO-UHFFFAOYSA-N 1 2 338.415 2.019 20 30 EEEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccc(F)c(F)c1 ZINC001032396858 789106359 /nfs/dbraw/zinc/10/63/59/789106359.db2.gz IAVNMLWQNNEFOP-HOTGVXAUSA-N 1 2 330.378 2.206 20 30 EEEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccc(F)c(F)c1 ZINC001032396858 789106362 /nfs/dbraw/zinc/10/63/62/789106362.db2.gz IAVNMLWQNNEFOP-HOTGVXAUSA-N 1 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ZINC000923566857 789778059 /nfs/dbraw/zinc/77/80/59/789778059.db2.gz UBJNXDKGVIVUDT-DOTOQJQBSA-N 1 2 342.439 2.118 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079041599 789892628 /nfs/dbraw/zinc/89/26/28/789892628.db2.gz PFFWFQAWNOUBIW-JKSUJKDBSA-N 1 2 346.475 2.394 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001060331553 790146377 /nfs/dbraw/zinc/14/63/77/790146377.db2.gz UOMJBYGICDXFCF-QFBILLFUSA-N 1 2 346.475 2.230 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC1(CNC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001063512070 791192965 /nfs/dbraw/zinc/19/29/65/791192965.db2.gz OJBHDTNCCYKRPZ-MRXNPFEDSA-N 1 2 346.475 2.421 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2coc(C)n2)[C@@H]1C ZINC001088914205 791511851 /nfs/dbraw/zinc/51/18/51/791511851.db2.gz PBDSFHHKSIGRPN-ZCPGHIKRSA-N 1 2 333.432 2.043 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2coc(C)n2)[C@@H]1C ZINC001088914205 791511857 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792174471 /nfs/dbraw/zinc/17/44/71/792174471.db2.gz MNJDZFAOLAUFFX-KGLIPLIRSA-N 1 2 332.448 2.125 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nncn1C)C2 ZINC001148126447 792202207 /nfs/dbraw/zinc/20/22/07/792202207.db2.gz XRCJGACAFLKATD-GJZGRUSLSA-N 1 2 331.464 2.013 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nncn1C)C2 ZINC001148126447 792202214 /nfs/dbraw/zinc/20/22/14/792202214.db2.gz XRCJGACAFLKATD-GJZGRUSLSA-N 1 2 331.464 2.013 20 30 EEEDLO Cc1nc(N2CC[C@@H]3CN(C(=O)C#CC4CC4)CC[C@H]32)c(C)c(C)[nH+]1 ZINC001064013188 792242031 /nfs/dbraw/zinc/24/20/31/792242031.db2.gz LGHPRRRCPMDZEE-QZTJIDSGSA-N 1 2 338.455 2.242 20 30 EEEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@@H+]([C@H](C)c2nncn2C)C3)CC1 ZINC001148262998 792290331 /nfs/dbraw/zinc/29/03/31/792290331.db2.gz SPSUXKZHDWTDJN-OAHLLOKOSA-N 1 2 343.475 2.157 20 30 EEEDLO C=CCCC1(C(=O)N2CC3(C2)CC[N@H+]([C@H](C)c2nncn2C)C3)CC1 ZINC001148262998 792290340 /nfs/dbraw/zinc/29/03/40/792290340.db2.gz SPSUXKZHDWTDJN-OAHLLOKOSA-N 1 2 343.475 2.157 20 30 EEEDLO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1C(F)(F)F ZINC001032626318 792542773 /nfs/dbraw/zinc/54/27/73/792542773.db2.gz FHHIIVCLMDHEEI-QWRGUYRKSA-N 1 2 328.338 2.212 20 30 EEEDLO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C)c1C(F)(F)F ZINC001032626318 792542777 /nfs/dbraw/zinc/54/27/77/792542777.db2.gz FHHIIVCLMDHEEI-QWRGUYRKSA-N 1 2 328.338 2.212 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001064188586 792645883 /nfs/dbraw/zinc/64/58/83/792645883.db2.gz NDPHQEUOFNQNMG-CXAGYDPISA-N 1 2 338.415 2.006 20 30 EEEDLO C[C@@H]1CC2(CN1C(=O)c1cccc3[nH+]ccn31)CCN(CC#N)CC2 ZINC001086932457 793067549 /nfs/dbraw/zinc/06/75/49/793067549.db2.gz LHIFPIBYUKNZFX-OAHLLOKOSA-N 1 2 337.427 2.174 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@H](C)[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001089183587 793206649 /nfs/dbraw/zinc/20/66/49/793206649.db2.gz LVKGGYHNQLYQAV-HOCLYGCPSA-N 1 2 332.448 2.274 20 30 EEEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCCC#N)[C@H](C)C1 ZINC000442603913 793619435 /nfs/dbraw/zinc/61/94/35/793619435.db2.gz WLSCDKWDUFQYCF-OAHLLOKOSA-N 1 2 330.432 2.215 20 30 EEEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCCC#N)[C@H](C)C1 ZINC000442603913 793619443 /nfs/dbraw/zinc/61/94/43/793619443.db2.gz WLSCDKWDUFQYCF-OAHLLOKOSA-N 1 2 330.432 2.215 20 30 EEEDLO O=C(C#CC1CC1)N1CCC[C@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC000999128223 793803437 /nfs/dbraw/zinc/80/34/37/793803437.db2.gz LRAZQBBGBSSLMA-INIZCTEOSA-N 1 2 342.443 2.221 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC=CCC3)C2)s1 ZINC001077517739 793878571 /nfs/dbraw/zinc/87/85/71/793878571.db2.gz GAYHPIZUXDFAOL-KBRIMQKVSA-N 1 2 345.468 2.027 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC=CCC3)C2)s1 ZINC001077517739 793878574 /nfs/dbraw/zinc/87/85/74/793878574.db2.gz GAYHPIZUXDFAOL-KBRIMQKVSA-N 1 2 345.468 2.027 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC(C)(C)C1)c1nccn12 ZINC001092392314 793890312 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348.450 2.409 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccccc1F)c1nccn12 ZINC001092410963 793960242 /nfs/dbraw/zinc/96/02/42/793960242.db2.gz QBQKHFPBCUJLHD-INIZCTEOSA-N 1 2 340.402 2.023 20 30 EEEDLO Cc1cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C)C#N)C3)nc(C(C)C)[nH+]1 ZINC001092966449 794504342 /nfs/dbraw/zinc/50/43/42/794504342.db2.gz AHJBUMMSDZTAIG-NGFQHRJXSA-N 1 2 327.432 2.294 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)Cc1ccoc1 ZINC001079613203 795024947 /nfs/dbraw/zinc/02/49/47/795024947.db2.gz HHXFGQHSBAAPNB-FZKQIMNGSA-N 1 2 341.386 2.470 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)Cc1ccoc1 ZINC001079613203 795024955 /nfs/dbraw/zinc/02/49/55/795024955.db2.gz HHXFGQHSBAAPNB-FZKQIMNGSA-N 1 2 341.386 2.470 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC[NH2+]Cc1nc(-c2ccco2)no1 ZINC001128084746 795105591 /nfs/dbraw/zinc/10/55/91/795105591.db2.gz BSLPFTQFBULFBM-UHFFFAOYSA-N 1 2 330.388 2.304 20 30 EEEDLO C=CCCC1(C(=O)N2CC(N(CC)C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001079694515 795111919 /nfs/dbraw/zinc/11/19/19/795111919.db2.gz KORKFCDIRCFSKP-UHFFFAOYSA-N 1 2 344.459 2.148 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nccs3)[C@H](C)C2)nc1 ZINC000947949164 795197804 /nfs/dbraw/zinc/19/78/04/795197804.db2.gz RMWFKHBOHWQGSA-HIFRSBDPSA-N 1 2 340.452 2.302 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nccs3)[C@H](C)C2)nc1 ZINC000947949164 795197807 /nfs/dbraw/zinc/19/78/07/795197807.db2.gz RMWFKHBOHWQGSA-HIFRSBDPSA-N 1 2 340.452 2.302 20 30 EEEDLO C=CCCCC(=O)N1CC(N(CC)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001079792913 795202248 /nfs/dbraw/zinc/20/22/48/795202248.db2.gz KZMXJUMEZIQMQT-HNNXBMFYSA-N 1 2 332.448 2.250 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC(N(CC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001079965027 795412200 /nfs/dbraw/zinc/41/22/00/795412200.db2.gz SPBPJLAKZBSYNX-CQSZACIVSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC(N(CC)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001079965027 795412204 /nfs/dbraw/zinc/41/22/04/795412204.db2.gz SPBPJLAKZBSYNX-CQSZACIVSA-N 1 2 332.448 2.004 20 30 EEEDLO Cc1ccc(C#N)c(NCC[C@H](C)NC(=O)CCCn2cc[nH+]c2)n1 ZINC001106361631 795453019 /nfs/dbraw/zinc/45/30/19/795453019.db2.gz CXDNVMLSIBTFGB-HNNXBMFYSA-N 1 2 340.431 2.245 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnc(-c3ccccc3)o2)C1 ZINC001108010329 795503603 /nfs/dbraw/zinc/50/36/03/795503603.db2.gz SEGBPBUOEWAFRH-LJQANCHMSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnc(-c3ccccc3)o2)C1 ZINC001108010329 795503610 /nfs/dbraw/zinc/50/36/10/795503610.db2.gz SEGBPBUOEWAFRH-LJQANCHMSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccnc(-c3ccco3)c2)C1 ZINC001108018927 795556206 /nfs/dbraw/zinc/55/62/06/795556206.db2.gz VXFNXCTZTNCDRL-IBGZPJMESA-N 1 2 341.411 2.348 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccnc(-c3ccco3)c2)C1 ZINC001108018927 795556212 /nfs/dbraw/zinc/55/62/12/795556212.db2.gz VXFNXCTZTNCDRL-IBGZPJMESA-N 1 2 341.411 2.348 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C)oc1C ZINC000993167790 795579115 /nfs/dbraw/zinc/57/91/15/795579115.db2.gz FZHMVDMFASQPIB-SWLSCSKDSA-N 1 2 341.415 2.274 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C)oc1C ZINC000993167790 795579118 /nfs/dbraw/zinc/57/91/18/795579118.db2.gz FZHMVDMFASQPIB-SWLSCSKDSA-N 1 2 341.415 2.274 20 30 EEEDLO C=CCC1(C(=O)N2CC(N(CC)C(=O)Cc3[nH]c[nH+]c3C)C2)CCC1 ZINC001080199628 795729962 /nfs/dbraw/zinc/72/99/62/795729962.db2.gz JCFSQXJIQWWDEL-UHFFFAOYSA-N 1 2 344.459 2.066 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cccc3cnccc32)C1 ZINC001108027790 795847143 /nfs/dbraw/zinc/84/71/43/795847143.db2.gz XCDXWRODUSXVRV-HXUWFJFHSA-N 1 2 339.439 2.170 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cccc3cnccc32)C1 ZINC001108027790 795847149 /nfs/dbraw/zinc/84/71/49/795847149.db2.gz XCDXWRODUSXVRV-HXUWFJFHSA-N 1 2 339.439 2.170 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N[C@H](C)CCNc2ccc(C#N)nc2)c[nH+]1 ZINC001106626263 795989378 /nfs/dbraw/zinc/98/93/78/795989378.db2.gz VLJHEQRNEVXCFO-CYBMUJFWSA-N 1 2 340.431 2.200 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3CCC[C@H](C)C3)nn2)C1 ZINC001094313801 796079930 /nfs/dbraw/zinc/07/99/30/796079930.db2.gz DBESUTBZGIVSQX-GJZGRUSLSA-N 1 2 331.464 2.153 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCC[C@@H]3CC)nn2)C1 ZINC001094316853 796082976 /nfs/dbraw/zinc/08/29/76/796082976.db2.gz NRTWNWHPEUMFPL-WMLDXEAASA-N 1 2 331.464 2.153 20 30 EEEDLO C=CCCC1(C(=O)NCC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001078220443 796098312 /nfs/dbraw/zinc/09/83/12/796098312.db2.gz LDUMNYCLFYIZPI-RRFJBIMHSA-N 1 2 344.459 2.271 20 30 EEEDLO C=CCCC1(C(=O)NCC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001078220443 796098316 /nfs/dbraw/zinc/09/83/16/796098316.db2.gz LDUMNYCLFYIZPI-RRFJBIMHSA-N 1 2 344.459 2.271 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2c(Cl)cnn2C)[C@H]1C ZINC000993371137 796483460 /nfs/dbraw/zinc/48/34/60/796483460.db2.gz YOOFTVNTCOSOOM-PWSUYJOCSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2c(Cl)cnn2C)[C@H]1C ZINC000993371137 796483463 /nfs/dbraw/zinc/48/34/63/796483463.db2.gz YOOFTVNTCOSOOM-PWSUYJOCSA-N 1 2 331.247 2.409 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1CC1(C)C ZINC001081548913 796813472 /nfs/dbraw/zinc/81/34/72/796813472.db2.gz YIFAKFUKWRDUHK-USXIJHARSA-N 1 2 345.418 2.059 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1CC1(C)C ZINC001081548913 796813477 /nfs/dbraw/zinc/81/34/77/796813477.db2.gz YIFAKFUKWRDUHK-USXIJHARSA-N 1 2 345.418 2.059 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)NCCCNc2ccc(C#N)c(C)n2)c[nH+]1 ZINC001094870498 796874196 /nfs/dbraw/zinc/87/41/96/796874196.db2.gz CCBRJTYJHJFFQS-UHFFFAOYSA-N 1 2 340.431 2.120 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C3CCCC3)cc2)[C@H](OC)C1 ZINC001081950684 797004551 /nfs/dbraw/zinc/00/45/51/797004551.db2.gz JTTNQTFDBCRUOG-RTBURBONSA-N 1 2 326.440 2.406 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C3CCCC3)cc2)[C@H](OC)C1 ZINC001081950684 797004558 /nfs/dbraw/zinc/00/45/58/797004558.db2.gz JTTNQTFDBCRUOG-RTBURBONSA-N 1 2 326.440 2.406 20 30 EEEDLO CC#CCCCC(=O)NC[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001082041668 797113181 /nfs/dbraw/zinc/11/31/81/797113181.db2.gz HRVMEUKTTPRXKK-INIZCTEOSA-N 1 2 344.459 2.033 20 30 EEEDLO Cc1nc(NCCCCCCNC(=O)Cc2c[nH]c[nH+]2)ccc1C#N ZINC001095001022 797212656 /nfs/dbraw/zinc/21/26/56/797212656.db2.gz BRKPTAXMMLAWLJ-UHFFFAOYSA-N 1 2 340.431 2.316 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccns2)CCCO1 ZINC001150138543 797267866 /nfs/dbraw/zinc/26/78/66/797267866.db2.gz AYJWQLOZLHJEPT-HUUCEWRRSA-N 1 2 337.489 2.453 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccns2)CCCO1 ZINC001150138543 797267869 /nfs/dbraw/zinc/26/78/69/797267869.db2.gz AYJWQLOZLHJEPT-HUUCEWRRSA-N 1 2 337.489 2.453 20 30 EEEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC12CCC2 ZINC001082183334 797298958 /nfs/dbraw/zinc/29/89/58/797298958.db2.gz BLWNTTLAAUASEJ-GUDVDZBRSA-N 1 2 338.451 2.044 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC12CCC2 ZINC001082183334 797298970 /nfs/dbraw/zinc/29/89/70/797298970.db2.gz BLWNTTLAAUASEJ-GUDVDZBRSA-N 1 2 338.451 2.044 20 30 EEEDLO C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)[C@H]1C ZINC000994150190 797334486 /nfs/dbraw/zinc/33/44/86/797334486.db2.gz RULXDLCRKJXREC-CJNGLKHVSA-N 1 2 325.416 2.240 20 30 EEEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)[C@H]1C ZINC000994150190 797334494 /nfs/dbraw/zinc/33/44/94/797334494.db2.gz RULXDLCRKJXREC-CJNGLKHVSA-N 1 2 325.416 2.240 20 30 EEEDLO C=CCOCC(=O)N1CCCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095168727 797456780 /nfs/dbraw/zinc/45/67/80/797456780.db2.gz ZOUHGKVJOFJUGT-UHFFFAOYSA-N 1 2 332.448 2.150 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccon2)C3)cc1F ZINC001095210892 797522554 /nfs/dbraw/zinc/52/25/54/797522554.db2.gz WFJNVFJNRODGCJ-COXVUDFISA-N 1 2 340.358 2.221 20 30 EEEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccon2)C3)cc1F ZINC001095210892 797522556 /nfs/dbraw/zinc/52/25/56/797522556.db2.gz WFJNVFJNRODGCJ-COXVUDFISA-N 1 2 340.358 2.221 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2c(OC)cc[nH]c2=O)[C@H]1C ZINC000994249509 797553453 /nfs/dbraw/zinc/55/34/53/797553453.db2.gz GTFONFXHMHELGA-NEPJUHHUSA-N 1 2 339.823 2.131 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2c(OC)cc[nH]c2=O)[C@H]1C ZINC000994249509 797553456 /nfs/dbraw/zinc/55/34/56/797553456.db2.gz GTFONFXHMHELGA-NEPJUHHUSA-N 1 2 339.823 2.131 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@@H](C)Nc1nc(C)ccc1C#N ZINC001089360064 797602437 /nfs/dbraw/zinc/60/24/37/797602437.db2.gz VNSNAZZVRVWJCM-QWHCGFSZSA-N 1 2 340.431 2.231 20 30 EEEDLO Cc1cc(C#N)cc(C)c1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001174491667 797768935 /nfs/dbraw/zinc/76/89/35/797768935.db2.gz ANTFUORDKAUDPI-UHFFFAOYSA-N 1 2 325.416 2.447 20 30 EEEDLO Cc1cccc(Cl)c1C[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C#N)[C@H]2C1 ZINC001083027020 797819566 /nfs/dbraw/zinc/81/95/66/797819566.db2.gz WJUZTRUVRCQJLR-XOKHGSTOSA-N 1 2 347.846 2.220 20 30 EEEDLO Cc1cccc(Cl)c1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C#N)[C@H]2C1 ZINC001083027020 797819570 /nfs/dbraw/zinc/81/95/70/797819570.db2.gz WJUZTRUVRCQJLR-XOKHGSTOSA-N 1 2 347.846 2.220 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(C(C)C)n2)[C@@H](O)C1 ZINC001090397866 797925638 /nfs/dbraw/zinc/92/56/38/797925638.db2.gz UTYAHIGDWVSGFS-HOCLYGCPSA-N 1 2 337.851 2.123 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C(C)C)n2)[C@@H](O)C1 ZINC001090397866 797925644 /nfs/dbraw/zinc/92/56/44/797925644.db2.gz UTYAHIGDWVSGFS-HOCLYGCPSA-N 1 2 337.851 2.123 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H]1C ZINC000994443342 797992068 /nfs/dbraw/zinc/99/20/68/797992068.db2.gz RKASUQZFHZRQPP-GXTWGEPZSA-N 1 2 340.265 2.435 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H]1C ZINC000994443342 797992070 /nfs/dbraw/zinc/99/20/70/797992070.db2.gz RKASUQZFHZRQPP-GXTWGEPZSA-N 1 2 340.265 2.435 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccns4)[C@@H]3C2)c1 ZINC001084382550 798178686 /nfs/dbraw/zinc/17/86/86/798178686.db2.gz DBOLEMTWLINCFW-HZPDHXFCSA-N 1 2 338.436 2.361 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccns4)[C@@H]3C2)c1 ZINC001084382550 798178691 /nfs/dbraw/zinc/17/86/91/798178691.db2.gz DBOLEMTWLINCFW-HZPDHXFCSA-N 1 2 338.436 2.361 20 30 EEEDLO Cc1cnc(C[NH+]2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)s1 ZINC001002648031 798383301 /nfs/dbraw/zinc/38/33/01/798383301.db2.gz IWJKZKUKDMYRGX-UHFFFAOYSA-N 1 2 329.429 2.046 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C[C@H]1O ZINC001099850663 798565383 /nfs/dbraw/zinc/56/53/83/798565383.db2.gz QKVKGDXZBRSZEF-ZIAGYGMSSA-N 1 2 337.489 2.105 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ncc(C)s2)C[C@H]1O ZINC001099850663 798565387 /nfs/dbraw/zinc/56/53/87/798565387.db2.gz QKVKGDXZBRSZEF-ZIAGYGMSSA-N 1 2 337.489 2.105 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H]2OCC[N@H+](CCOC3CCC3)[C@H]2C1 ZINC001176988961 798670008 /nfs/dbraw/zinc/67/00/08/798670008.db2.gz LHAXZCZYFMKYEC-RBUKOAKNSA-N 1 2 348.487 2.051 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H]2OCC[N@@H+](CCOC3CCC3)[C@H]2C1 ZINC001176988961 798670011 /nfs/dbraw/zinc/67/00/11/798670011.db2.gz LHAXZCZYFMKYEC-RBUKOAKNSA-N 1 2 348.487 2.051 20 30 EEEDLO C#CCCCC(=O)N1CC[C@@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001177005702 798690991 /nfs/dbraw/zinc/69/09/91/798690991.db2.gz JHULOXSJZQQGEE-MOPGFXCFSA-N 1 2 326.440 2.292 20 30 EEEDLO C#CCCCC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001177005702 798690994 /nfs/dbraw/zinc/69/09/94/798690994.db2.gz JHULOXSJZQQGEE-MOPGFXCFSA-N 1 2 326.440 2.292 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)CC(F)(F)F)C[C@@H]21 ZINC001177125847 798739323 /nfs/dbraw/zinc/73/93/23/798739323.db2.gz SYOQTCQUQYDKLB-KBPBESRZSA-N 1 2 346.393 2.290 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)CC(F)(F)F)C[C@@H]21 ZINC001177125847 798739326 /nfs/dbraw/zinc/73/93/26/798739326.db2.gz SYOQTCQUQYDKLB-KBPBESRZSA-N 1 2 346.393 2.290 20 30 EEEDLO CCCCCCCCCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001177137751 798766574 /nfs/dbraw/zinc/76/65/74/798766574.db2.gz GDDRQGMKYOIPEJ-QZTJIDSGSA-N 1 2 340.508 2.421 20 30 EEEDLO CCCCCCCCCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001177137751 798766577 /nfs/dbraw/zinc/76/65/77/798766577.db2.gz GDDRQGMKYOIPEJ-QZTJIDSGSA-N 1 2 340.508 2.421 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NCc1cnn2c1C[N@H+](CCCCCC)CC2 ZINC001128326841 798870177 /nfs/dbraw/zinc/87/01/77/798870177.db2.gz DXBVNDQOZCNOKL-IBGZPJMESA-N 1 2 348.491 2.222 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NCc1cnn2c1C[N@@H+](CCCCCC)CC2 ZINC001128326841 798870184 /nfs/dbraw/zinc/87/01/84/798870184.db2.gz DXBVNDQOZCNOKL-IBGZPJMESA-N 1 2 348.491 2.222 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N(CCCNCC#N)CC2CCCC2)c[nH+]1 ZINC001177348621 798900845 /nfs/dbraw/zinc/90/08/45/798900845.db2.gz KZVDECMPKCJPPJ-UHFFFAOYSA-N 1 2 345.491 2.449 20 30 EEEDLO C=CCCC1(C(=O)N2CC[NH+]([C@H]3CCN(C(=O)CCC)C3)CC2)CC1 ZINC001065681691 799336732 /nfs/dbraw/zinc/33/67/32/799336732.db2.gz WZAYKTLMHAMKID-KRWDZBQOSA-N 1 2 347.503 2.278 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC3CC3)C2)CC1 ZINC001065681855 799337902 /nfs/dbraw/zinc/33/79/02/799337902.db2.gz YKZPKEQIXWOWIS-AEFFLSMTSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H](C)C(C)C)CC2)C1 ZINC001065707337 799357487 /nfs/dbraw/zinc/35/74/87/799357487.db2.gz SLSYILQBACFNPY-ZWKOTPCHSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@H](C)CC(C)C)CC2)C1 ZINC001065692168 799368003 /nfs/dbraw/zinc/36/80/03/799368003.db2.gz PQULHCUEBLNURW-MSOLQXFVSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@H]3CC=CCC3)CC2)C1 ZINC001065692000 799368277 /nfs/dbraw/zinc/36/82/77/799368277.db2.gz NYGMIYBDWVISEE-ROUUACIJSA-N 1 2 345.487 2.054 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCC3CC3)C2)CC1 ZINC001065693385 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C=C(Cl)C[NH2+][C@@H](CNC(=O)c1c[nH]c(C)cc1=O)c1ccccc1 ZINC001443129185 1097552309 /nfs/dbraw/zinc/55/23/09/1097552309.db2.gz KIKYXRKKRGYWCC-INIZCTEOSA-N 1 2 345.830 2.497 20 30 EEEDLO CSC[C@@H](C)C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001443568785 1098063431 /nfs/dbraw/zinc/06/34/31/1098063431.db2.gz GRDWGSLEAORDTG-GFCCVEGCSA-N 1 2 335.448 2.244 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1c(C)oc2nc[nH]c(=O)c21 ZINC001505935181 1114287980 /nfs/dbraw/zinc/28/79/80/1114287980.db2.gz CAXPMKUYDRPIIV-VIFPVBQESA-N 1 2 338.795 2.039 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1c(C)oc2nc[nH]c(=O)c21 ZINC001505935181 1114287982 /nfs/dbraw/zinc/28/79/82/1114287982.db2.gz CAXPMKUYDRPIIV-VIFPVBQESA-N 1 2 338.795 2.039 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccccc1N(C)C(C)=O ZINC001505973893 1114312234 /nfs/dbraw/zinc/31/22/34/1114312234.db2.gz CQPCDPBGSPQDCE-CYBMUJFWSA-N 1 2 337.851 2.472 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccccc1N(C)C(C)=O ZINC001505973893 1114312238 /nfs/dbraw/zinc/31/22/38/1114312238.db2.gz CQPCDPBGSPQDCE-CYBMUJFWSA-N 1 2 337.851 2.472 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)C[C@H]1CCCCO1 ZINC001520325846 1119146289 /nfs/dbraw/zinc/14/62/89/1119146289.db2.gz ODJDGWLLYIVEGE-MRXNPFEDSA-N 1 2 333.480 2.455 20 30 EEEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1CC(=C)C ZINC001524367208 1120078791 /nfs/dbraw/zinc/07/87/91/1120078791.db2.gz BVUKAMLDUQOION-CVEARBPZSA-N 1 2 331.464 2.094 20 30 EEEDLO C#C[C@@H](C)N(C)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1CC(=C)C ZINC001524367208 1120078796 /nfs/dbraw/zinc/07/87/96/1120078796.db2.gz BVUKAMLDUQOION-CVEARBPZSA-N 1 2 331.464 2.094 20 30 EEEDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2cncc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000420620186 529790131 /nfs/dbraw/zinc/79/01/31/529790131.db2.gz ZQDDAOPXMMJIRC-RDJZCZTQSA-N 1 2 343.818 2.485 20 30 EEEDLO C[N@H+]1CCO[C@H]([C@@H](Nc2cncc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000420620186 529790132 /nfs/dbraw/zinc/79/01/32/529790132.db2.gz ZQDDAOPXMMJIRC-RDJZCZTQSA-N 1 2 343.818 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/nfs/dbraw/zinc/36/49/46/292364946.db2.gz UZGYKEZWKRXASF-UHFFFAOYSA-N 1 2 346.431 2.295 20 30 EEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000077250712 159097515 /nfs/dbraw/zinc/09/75/15/159097515.db2.gz GJWCTAAJCDSJFM-UHFFFAOYSA-N 1 2 345.443 2.136 20 30 EEEDLO C[N@H+](CCc1ccccc1O)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000344150573 161202597 /nfs/dbraw/zinc/20/25/97/161202597.db2.gz MXQFMLHOSQQCEO-UHFFFAOYSA-N 1 2 344.436 2.212 20 30 EEEDLO C[N@@H+](CCc1ccccc1O)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000344150573 161202598 /nfs/dbraw/zinc/20/25/98/161202598.db2.gz MXQFMLHOSQQCEO-UHFFFAOYSA-N 1 2 344.436 2.212 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccn(C(F)F)n3)C2=O)cc1 ZINC000355764642 163294352 /nfs/dbraw/zinc/29/43/52/163294352.db2.gz HRNHKNDZIWESBG-HNNXBMFYSA-N 1 2 345.353 2.435 20 30 EEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356146264 163349253 /nfs/dbraw/zinc/34/92/53/163349253.db2.gz FJDOGGHEMMAAIJ-CQSZACIVSA-N 1 2 346.431 2.188 20 30 EEEDLO 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ZINC000291611810 268308510 /nfs/dbraw/zinc/30/85/10/268308510.db2.gz CJEAMAFHHJQQMU-SFHVURJKSA-N 1 2 341.436 2.194 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291611810 268308516 /nfs/dbraw/zinc/30/85/16/268308516.db2.gz CJEAMAFHHJQQMU-SFHVURJKSA-N 1 2 341.436 2.194 20 30 EEEDLO N#Cc1csc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000355182755 268320018 /nfs/dbraw/zinc/32/00/18/268320018.db2.gz FDQNGFPJLAEHAC-ACJLOTCBSA-N 1 2 334.404 2.465 20 30 EEEDLO N#Cc1csc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000355182755 268320019 /nfs/dbraw/zinc/32/00/19/268320019.db2.gz FDQNGFPJLAEHAC-ACJLOTCBSA-N 1 2 334.404 2.465 20 30 EEEDLO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cscn1 ZINC000277226943 269144131 /nfs/dbraw/zinc/14/41/31/269144131.db2.gz LTXKJRXXKVNKII-SWLSCSKDSA-N 1 2 326.425 2.466 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1F ZINC000459515086 279516031 /nfs/dbraw/zinc/51/60/31/279516031.db2.gz SZRAAYXVGMCFPY-UHFFFAOYSA-N 1 2 341.346 2.323 20 30 EEEDLO COc1ccc(C[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)cc1C#N ZINC000563496806 319015864 /nfs/dbraw/zinc/01/58/64/319015864.db2.gz VLAWAXOZKPDTQA-UHFFFAOYSA-N 1 2 348.468 2.358 20 30 EEEDLO Cc1cc(N2CCN(Cc3ccc(C#N)cn3)CC2)nc(C(C)C)[nH+]1 ZINC000564515565 319088702 /nfs/dbraw/zinc/08/87/02/319088702.db2.gz JTEKJHISLYCVEE-UHFFFAOYSA-N 1 2 336.443 2.497 20 30 EEEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C/C=C\c2ccccc2)c1=O ZINC000571489400 319758807 /nfs/dbraw/zinc/75/88/07/319758807.db2.gz AWPXHRXAVLXHTI-DAXSKMNVSA-N 1 2 335.407 2.266 20 30 EEEDLO Cc1cc(N2CCC(C(=O)NCC(F)(F)F)CC2)c(C#N)c[nH+]1 ZINC000583990525 324772724 /nfs/dbraw/zinc/77/27/24/324772724.db2.gz MQYWGMJNYJOGIV-UHFFFAOYSA-N 1 2 326.322 2.157 20 30 EEEDLO C[C@H](CN=Nc1ccc(-n2cc[nH+]c2)nn1)CNC(=O)OC(C)(C)C ZINC000497053496 448160362 /nfs/dbraw/zinc/16/03/62/448160362.db2.gz JTVPJYSDUXXPOK-LBPRGKRZSA-N 1 2 345.407 2.221 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@H](N(C)c2[nH+]cnc3c2cnn3C)C1 ZINC001098705122 782102818 /nfs/dbraw/zinc/10/28/18/782102818.db2.gz TZJCYQNXCGGTQV-AWEZNQCLSA-N 1 2 342.447 2.147 20 30 EEEDLO N#Cc1c(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)n[nH]c1C1CC1 ZINC000601739393 450204633 /nfs/dbraw/zinc/20/46/33/450204633.db2.gz UHEAXBOCGXHOER-HNNXBMFYSA-N 1 2 336.399 2.157 20 30 EEEDLO N#Cc1c(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)n[nH]c1C1CC1 ZINC000601739393 450204638 /nfs/dbraw/zinc/20/46/38/450204638.db2.gz UHEAXBOCGXHOER-HNNXBMFYSA-N 1 2 336.399 2.157 20 30 EEEDLO C[C@@H]1CSC[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000347490101 465054481 /nfs/dbraw/zinc/05/44/81/465054481.db2.gz ZFQKLTCZDWZOGM-PBHICJAKSA-N 1 2 344.484 2.137 20 30 EEEDLO Cc1cn2cc(NC(=O)N3CCCN(C(=O)C4CC4)CC3)ccc2[nH+]1 ZINC000328603883 465065840 /nfs/dbraw/zinc/06/58/40/465065840.db2.gz IEUFVHJSOGWOEA-UHFFFAOYSA-N 1 2 341.415 2.133 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000328777256 465125312 /nfs/dbraw/zinc/12/53/12/465125312.db2.gz CZFPHLGDFNRKFG-LXTVHRRPSA-N 1 2 330.432 2.081 20 30 EEEDLO CO[C@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1(C)C ZINC000296282708 465142833 /nfs/dbraw/zinc/14/28/33/465142833.db2.gz ZDLIYRVGKQTXLO-KGLIPLIRSA-N 1 2 333.457 2.472 20 30 EEEDLO CO[C@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1(C)C ZINC000296282708 465142836 /nfs/dbraw/zinc/14/28/36/465142836.db2.gz ZDLIYRVGKQTXLO-KGLIPLIRSA-N 1 2 333.457 2.472 20 30 EEEDLO O=C(NC[C@@H]1COCCO1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000328859977 465149962 /nfs/dbraw/zinc/14/99/62/465149962.db2.gz YXSBJMDVUAVLGX-CVEARBPZSA-N 1 2 336.457 2.148 20 30 EEEDLO CC1CC[NH+](Cc2csc(NC(=O)[C@H]3COCCN3C)n2)CC1 ZINC000328895007 465160067 /nfs/dbraw/zinc/16/00/67/465160067.db2.gz BDBVWMGSOYZWMN-CQSZACIVSA-N 1 2 338.477 2.294 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)s1)C1CCOCC1 ZINC000328990702 465194335 /nfs/dbraw/zinc/19/43/35/465194335.db2.gz FLIQNGRHVORZON-AWEZNQCLSA-N 1 2 330.413 2.251 20 30 EEEDLO C=CCC(CC=C)C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000351539495 465210147 /nfs/dbraw/zinc/21/01/47/465210147.db2.gz BBALSKCEOKEQNU-IRXDYDNUSA-N 1 2 334.439 2.217 20 30 EEEDLO C=CCC(CC=C)C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000351539495 465210154 /nfs/dbraw/zinc/21/01/54/465210154.db2.gz BBALSKCEOKEQNU-IRXDYDNUSA-N 1 2 334.439 2.217 20 30 EEEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2nnc3n2CCCC3)CC1 ZINC000329206239 465266877 /nfs/dbraw/zinc/26/68/77/465266877.db2.gz XJEBTHZIXJEAJR-UHFFFAOYSA-N 1 2 336.443 2.198 20 30 EEEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2nnc3n2CCCC3)CC1 ZINC000329206239 465266878 /nfs/dbraw/zinc/26/68/78/465266878.db2.gz XJEBTHZIXJEAJR-UHFFFAOYSA-N 1 2 336.443 2.198 20 30 EEEDLO N#Cc1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)ccc1F ZINC000298050677 465286576 /nfs/dbraw/zinc/28/65/76/465286576.db2.gz IQLNROXCMWPGFP-UHFFFAOYSA-N 1 2 341.346 2.323 20 30 EEEDLO CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000329352710 465309354 /nfs/dbraw/zinc/30/93/54/465309354.db2.gz UQHUGZFOATTWSU-OBJOEFQTSA-N 1 2 339.436 2.238 20 30 EEEDLO CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000329352710 465309358 /nfs/dbraw/zinc/30/93/58/465309358.db2.gz UQHUGZFOATTWSU-OBJOEFQTSA-N 1 2 339.436 2.238 20 30 EEEDLO C=CCNC(=O)CN1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000342696726 465342078 /nfs/dbraw/zinc/34/20/78/465342078.db2.gz RKMIKBBMTHWUQU-QGZVFWFLSA-N 1 2 333.863 2.247 20 30 EEEDLO COc1ccc([C@H](CO)[N@H+](C)CC(=O)Nc2sccc2C#N)cc1 ZINC000112995915 462560961 /nfs/dbraw/zinc/56/09/61/462560961.db2.gz ZXBLOUNNISOPBX-HNNXBMFYSA-N 1 2 345.424 2.232 20 30 EEEDLO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)Nc2sccc2C#N)cc1 ZINC000112995915 462560962 /nfs/dbraw/zinc/56/09/62/462560962.db2.gz ZXBLOUNNISOPBX-HNNXBMFYSA-N 1 2 345.424 2.232 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000127978938 462599712 /nfs/dbraw/zinc/59/97/12/462599712.db2.gz USYIRLKTRNEEFV-ZIAGYGMSSA-N 1 2 335.414 2.368 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000127978938 462599716 /nfs/dbraw/zinc/59/97/16/462599716.db2.gz USYIRLKTRNEEFV-ZIAGYGMSSA-N 1 2 335.414 2.368 20 30 EEEDLO N#Cc1ccc(CSCC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000063704692 462663751 /nfs/dbraw/zinc/66/37/51/462663751.db2.gz PALYMPXVYAVFKI-UHFFFAOYSA-N 1 2 326.425 2.415 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1)C1CC1 ZINC000064482612 462706386 /nfs/dbraw/zinc/70/63/86/462706386.db2.gz LVBXKXXHAGOIJK-WMZOPIPTSA-N 1 2 331.416 2.069 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccco1)C[C@@H]1CCCO1)C1CC1 ZINC000064482612 462706392 /nfs/dbraw/zinc/70/63/92/462706392.db2.gz LVBXKXXHAGOIJK-WMZOPIPTSA-N 1 2 331.416 2.069 20 30 EEEDLO CC1CCC(NC(=O)CO[NH+]=C(N)c2ccc(F)c(F)c2)CC1 ZINC000065205307 462742724 /nfs/dbraw/zinc/74/27/24/462742724.db2.gz CQMBCGBBUUDRNG-UHFFFAOYSA-N 1 2 325.359 2.297 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000047591984 462801496 /nfs/dbraw/zinc/80/14/96/462801496.db2.gz ISFPTOMNLUSOKN-OAHLLOKOSA-N 1 2 342.443 2.288 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000047591984 462801501 /nfs/dbraw/zinc/80/15/01/462801501.db2.gz ISFPTOMNLUSOKN-OAHLLOKOSA-N 1 2 342.443 2.288 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)NC)C2)cc1Cl ZINC000092067696 462924479 /nfs/dbraw/zinc/92/44/79/462924479.db2.gz VIPTZVGQKVFAIN-ZDUSSCGKSA-N 1 2 344.864 2.028 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)cc1Cl ZINC000092067696 462924483 /nfs/dbraw/zinc/92/44/83/462924483.db2.gz VIPTZVGQKVFAIN-ZDUSSCGKSA-N 1 2 344.864 2.028 20 30 EEEDLO CCCCN(CC)C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000067132575 462968322 /nfs/dbraw/zinc/96/83/22/462968322.db2.gz KKHPMBSWGGSRNR-UHFFFAOYSA-N 1 2 342.487 2.324 20 30 EEEDLO CCCCN(CC)C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000067132575 462968333 /nfs/dbraw/zinc/96/83/33/462968333.db2.gz KKHPMBSWGGSRNR-UHFFFAOYSA-N 1 2 342.487 2.324 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](CC(N)=O)C(C)(C)C)c1 ZINC000133931387 462985818 /nfs/dbraw/zinc/98/58/18/462985818.db2.gz XGLDYWGEPPMENG-UHFFFAOYSA-N 1 2 344.459 2.136 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](CC(N)=O)C(C)(C)C)c1 ZINC000133931387 462985825 /nfs/dbraw/zinc/98/58/25/462985825.db2.gz XGLDYWGEPPMENG-UHFFFAOYSA-N 1 2 344.459 2.136 20 30 EEEDLO Cc1nc(-c2cc3c(s2)CC[N@H+](CC(=O)NCC#N)C3)cs1 ZINC000093259431 463020245 /nfs/dbraw/zinc/02/02/45/463020245.db2.gz FWBXUVGHMKIDQZ-UHFFFAOYSA-N 1 2 332.454 2.178 20 30 EEEDLO Cc1nc(-c2cc3c(s2)CC[N@@H+](CC(=O)NCC#N)C3)cs1 ZINC000093259431 463020250 /nfs/dbraw/zinc/02/02/50/463020250.db2.gz FWBXUVGHMKIDQZ-UHFFFAOYSA-N 1 2 332.454 2.178 20 30 EEEDLO COc1ccc(F)cc1C[NH+]1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000024591034 463090349 /nfs/dbraw/zinc/09/03/49/463090349.db2.gz KPZAHNRKGKMMNW-OAHLLOKOSA-N 1 2 330.407 2.395 20 30 EEEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000068429102 463135826 /nfs/dbraw/zinc/13/58/26/463135826.db2.gz VVBIXSZRQTYMKG-CYBMUJFWSA-N 1 2 334.851 2.248 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCN(C(C)=O)CC1 ZINC000053457082 463165637 /nfs/dbraw/zinc/16/56/37/463165637.db2.gz YWVVSUGIAUNAAP-UHFFFAOYSA-N 1 2 347.484 2.457 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCN(C(C)=O)CC1 ZINC000053457082 463165642 /nfs/dbraw/zinc/16/56/42/463165642.db2.gz YWVVSUGIAUNAAP-UHFFFAOYSA-N 1 2 347.484 2.457 20 30 EEEDLO C=CCOCCCC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000079734264 463245220 /nfs/dbraw/zinc/24/52/20/463245220.db2.gz KANQJWYHWBJURB-UHFFFAOYSA-N 1 2 331.460 2.355 20 30 EEEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccccc3C)oc2=S)CC1 ZINC000029436509 463256978 /nfs/dbraw/zinc/25/69/78/463256978.db2.gz KMBXGBULROEXDN-UHFFFAOYSA-N 1 2 328.441 2.389 20 30 EEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000029676738 463267665 /nfs/dbraw/zinc/26/76/65/463267665.db2.gz VZLPZGDJSYADRT-KRWDZBQOSA-N 1 2 340.471 2.077 20 30 EEEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1F ZINC000122836517 463295395 /nfs/dbraw/zinc/29/53/95/463295395.db2.gz LCZXQEPLASZCDF-SNVBAGLBSA-N 1 2 327.197 2.158 20 30 EEEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1F ZINC000122836517 463295400 /nfs/dbraw/zinc/29/54/00/463295400.db2.gz LCZXQEPLASZCDF-SNVBAGLBSA-N 1 2 327.197 2.158 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CC(=O)N1CCCC1 ZINC000031086387 463323673 /nfs/dbraw/zinc/32/36/73/463323673.db2.gz KRZVGYLJDXCKJT-GFCCVEGCSA-N 1 2 348.834 2.093 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CC(=O)N1CCCC1 ZINC000031086387 463323679 /nfs/dbraw/zinc/32/36/79/463323679.db2.gz KRZVGYLJDXCKJT-GFCCVEGCSA-N 1 2 348.834 2.093 20 30 EEEDLO Cc1cccn2cc(CCNS(=O)(=O)c3cccc(C#N)c3)[nH+]c12 ZINC000080787011 463356221 /nfs/dbraw/zinc/35/62/21/463356221.db2.gz OUJSKYXHGRWVMV-UHFFFAOYSA-N 1 2 340.408 2.035 20 30 EEEDLO CN(CC[NH+]1CCOCC1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000160737412 463367126 /nfs/dbraw/zinc/36/71/26/463367126.db2.gz FVGXGLZAKSOISJ-QGZVFWFLSA-N 1 2 330.432 2.005 20 30 EEEDLO Cc1nc2ccccn2c1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000162019658 463477722 /nfs/dbraw/zinc/47/77/22/463477722.db2.gz JUAVCBPHTRKOLA-AWEZNQCLSA-N 1 2 347.426 2.015 20 30 EEEDLO Cc1nc2ccccn2c1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000162019658 463477725 /nfs/dbraw/zinc/47/77/25/463477725.db2.gz JUAVCBPHTRKOLA-AWEZNQCLSA-N 1 2 347.426 2.015 20 30 EEEDLO C[C@@H]1CN(c2ccc(CNC(=O)C3(C#N)CCCCC3)c[nH+]2)CCO1 ZINC000057388528 463483800 /nfs/dbraw/zinc/48/38/00/463483800.db2.gz VZYGLOYLKMDWJD-OAHLLOKOSA-N 1 2 342.443 2.397 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/c1ccc(Cl)cc1 ZINC000072679840 463533342 /nfs/dbraw/zinc/53/33/42/463533342.db2.gz ZKYVMGTUDOMELE-QPJJXVBHSA-N 1 2 347.846 2.428 20 30 EEEDLO C=C(C)COCC[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F ZINC000125685124 463568201 /nfs/dbraw/zinc/56/82/01/463568201.db2.gz GTHVLPDZISIBOR-ZDUSSCGKSA-N 1 2 345.212 2.297 20 30 EEEDLO COc1cccc(S(=O)(=O)CC[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000058342461 463582571 /nfs/dbraw/zinc/58/25/71/463582571.db2.gz DLUIAHHFUMMVPA-UHFFFAOYSA-N 1 2 344.436 2.473 20 30 EEEDLO COc1cccc(S(=O)(=O)CC[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000058342461 463582577 /nfs/dbraw/zinc/58/25/77/463582577.db2.gz DLUIAHHFUMMVPA-UHFFFAOYSA-N 1 2 344.436 2.473 20 30 EEEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000125846523 463585061 /nfs/dbraw/zinc/58/50/61/463585061.db2.gz ZHMYJMVLBWAPQL-KRWDZBQOSA-N 1 2 337.354 2.461 20 30 EEEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000125846523 463585066 /nfs/dbraw/zinc/58/50/66/463585066.db2.gz ZHMYJMVLBWAPQL-KRWDZBQOSA-N 1 2 337.354 2.461 20 30 EEEDLO COCC[N@H+](CC(=O)N1CCC[C@H](C)C1)Cc1ccc(C#N)cc1 ZINC000058397892 463592465 /nfs/dbraw/zinc/59/24/65/463592465.db2.gz MNKUXHUUDRFDAI-INIZCTEOSA-N 1 2 329.444 2.265 20 30 EEEDLO COCC[N@@H+](CC(=O)N1CCC[C@H](C)C1)Cc1ccc(C#N)cc1 ZINC000058397892 463592469 /nfs/dbraw/zinc/59/24/69/463592469.db2.gz MNKUXHUUDRFDAI-INIZCTEOSA-N 1 2 329.444 2.265 20 30 EEEDLO COC(=O)c1cccc([C@H](C(=O)OC)[NH+]2CCC(CC#N)CC2)c1 ZINC000541949000 468383470 /nfs/dbraw/zinc/38/34/70/468383470.db2.gz PNAUWGFOASPPRS-MRXNPFEDSA-N 1 2 330.384 2.313 20 30 EEEDLO N#Cc1ccc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000186610563 464031987 /nfs/dbraw/zinc/03/19/87/464031987.db2.gz GJFZWIGPPXDJRN-UHFFFAOYSA-N 1 2 339.355 2.310 20 30 EEEDLO C=CCCN(C)C(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000283931337 464046542 /nfs/dbraw/zinc/04/65/42/464046542.db2.gz MBYNAXLELWOQQW-HNNXBMFYSA-N 1 2 337.851 2.093 20 30 EEEDLO COc1cc[nH+]cc1COC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000288685679 464054786 /nfs/dbraw/zinc/05/47/86/464054786.db2.gz NABNBFGGVCLUAJ-UHFFFAOYSA-N 1 2 341.367 2.355 20 30 EEEDLO C#Cc1ccccc1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000289308187 464073536 /nfs/dbraw/zinc/07/35/36/464073536.db2.gz DPZTWXVYVPZHGD-UHFFFAOYSA-N 1 2 348.446 2.359 20 30 EEEDLO CC(C)(C)C1=CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000289834471 464097508 /nfs/dbraw/zinc/09/75/08/464097508.db2.gz JWSUWCARHKLFNX-UHFFFAOYSA-N 1 2 333.457 2.405 20 30 EEEDLO CC(C)(C)C1=CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000289834471 464097513 /nfs/dbraw/zinc/09/75/13/464097513.db2.gz JWSUWCARHKLFNX-UHFFFAOYSA-N 1 2 333.457 2.405 20 30 EEEDLO Cc1cccc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C#N ZINC000269800817 464099181 /nfs/dbraw/zinc/09/91/81/464099181.db2.gz LDBRHBXIMAARTI-CYBMUJFWSA-N 1 2 330.413 2.158 20 30 EEEDLO C=C(C)[C@H](NC(=O)NCC[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000187219061 464107792 /nfs/dbraw/zinc/10/77/92/464107792.db2.gz ZLTLYVLQAZWLKG-INIZCTEOSA-N 1 2 339.386 2.213 20 30 EEEDLO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292241060 464170014 /nfs/dbraw/zinc/17/00/14/464170014.db2.gz QFWPYKGGMJHLFM-FUHWJXTLSA-N 1 2 337.379 2.321 20 30 EEEDLO COC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292241060 464170015 /nfs/dbraw/zinc/17/00/15/464170015.db2.gz QFWPYKGGMJHLFM-FUHWJXTLSA-N 1 2 337.379 2.321 20 30 EEEDLO C[C@H]1CN(c2ccc(CNc3nc4ccccn4c3C#N)c[nH+]2)CCO1 ZINC000263944786 464248753 /nfs/dbraw/zinc/24/87/53/464248753.db2.gz BZRANNVOZRTGIJ-AWEZNQCLSA-N 1 2 348.410 2.438 20 30 EEEDLO N#Cc1cc(F)ccc1N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000264596683 464388835 /nfs/dbraw/zinc/38/88/35/464388835.db2.gz AGEGEZLZVBCYJC-UHFFFAOYSA-N 1 2 344.434 2.222 20 30 EEEDLO CC#CCCN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1[nH+]ccn1C ZINC000284910247 464388914 /nfs/dbraw/zinc/38/89/14/464388914.db2.gz VEZNZTXWKISWGO-HNNXBMFYSA-N 1 2 332.448 2.427 20 30 EEEDLO C=CCCCS(=O)(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000293197187 464392812 /nfs/dbraw/zinc/39/28/12/464392812.db2.gz DQWHZCGTKPOYNA-UHFFFAOYSA-N 1 2 338.473 2.109 20 30 EEEDLO CCN(CC)C(=O)C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000271871900 464397070 /nfs/dbraw/zinc/39/70/70/464397070.db2.gz OHWGMDLNXUXANM-INIZCTEOSA-N 1 2 344.459 2.122 20 30 EEEDLO CCN(CC)C(=O)C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000271871900 464397078 /nfs/dbraw/zinc/39/70/78/464397078.db2.gz OHWGMDLNXUXANM-INIZCTEOSA-N 1 2 344.459 2.122 20 30 EEEDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000293467416 464406549 /nfs/dbraw/zinc/40/65/49/464406549.db2.gz XCJHFEPNNYXCLV-OAHLLOKOSA-N 1 2 325.861 2.448 20 30 EEEDLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000293467416 464406556 /nfs/dbraw/zinc/40/65/56/464406556.db2.gz XCJHFEPNNYXCLV-OAHLLOKOSA-N 1 2 325.861 2.448 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CCCC[C@H]1c1[nH+]ccn1CC ZINC000294047912 464430735 /nfs/dbraw/zinc/43/07/35/464430735.db2.gz JEJCSMNIJHSYOX-HOTGVXAUSA-N 1 2 331.464 2.438 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)C1=O ZINC000281403414 464442225 /nfs/dbraw/zinc/44/22/25/464442225.db2.gz QQFXOHLQUOIYCM-NEPJUHHUSA-N 1 2 342.365 2.395 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)C1=O ZINC000281403414 464442232 /nfs/dbraw/zinc/44/22/32/464442232.db2.gz QQFXOHLQUOIYCM-NEPJUHHUSA-N 1 2 342.365 2.395 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2cccc3ccccc32)C1=O ZINC000281484890 464472215 /nfs/dbraw/zinc/47/22/15/464472215.db2.gz WVTOGBVEAOVAFD-SFHVURJKSA-N 1 2 337.423 2.497 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc3ccccc32)C1=O ZINC000281484890 464472222 /nfs/dbraw/zinc/47/22/22/464472222.db2.gz WVTOGBVEAOVAFD-SFHVURJKSA-N 1 2 337.423 2.497 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175373494 464535077 /nfs/dbraw/zinc/53/50/77/464535077.db2.gz YBPINFMHIOUNEX-AXMJJZENSA-N 1 2 349.500 2.471 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175373494 464535080 /nfs/dbraw/zinc/53/50/80/464535080.db2.gz YBPINFMHIOUNEX-AXMJJZENSA-N 1 2 349.500 2.471 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc3c(cc2OC)C[C@@H](C)O3)C1=O ZINC000547406429 468412009 /nfs/dbraw/zinc/41/20/09/468412009.db2.gz AKKMDKJCQQTVJE-CJNGLKHVSA-N 1 2 330.428 2.237 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc3c(cc2OC)C[C@@H](C)O3)C1=O ZINC000547406429 468412011 /nfs/dbraw/zinc/41/20/11/468412011.db2.gz AKKMDKJCQQTVJE-CJNGLKHVSA-N 1 2 330.428 2.237 20 30 EEEDLO COCCC[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000272469953 464622871 /nfs/dbraw/zinc/62/28/71/464622871.db2.gz FKBDXLMKZXPWKE-MRXNPFEDSA-N 1 2 329.444 2.265 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247497549 464686883 /nfs/dbraw/zinc/68/68/83/464686883.db2.gz LKXCJTIWKZHKQN-HOCLYGCPSA-N 1 2 329.448 2.288 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247497549 464686885 /nfs/dbraw/zinc/68/68/85/464686885.db2.gz LKXCJTIWKZHKQN-HOCLYGCPSA-N 1 2 329.448 2.288 20 30 EEEDLO Cc1nc(C[NH+]2CCN(c3c(C#N)nnc4ccccc43)CC2)oc1C ZINC000265818616 464698229 /nfs/dbraw/zinc/69/82/29/464698229.db2.gz HNPHVGRGJBXCHD-UHFFFAOYSA-N 1 2 348.410 2.429 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)nc1 ZINC000286042094 464784996 /nfs/dbraw/zinc/78/49/96/464784996.db2.gz QOGJKHLDJQLVHS-UHFFFAOYSA-N 1 2 336.395 2.062 20 30 EEEDLO CCOC(C)(C)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000275863490 464791130 /nfs/dbraw/zinc/79/11/30/464791130.db2.gz YYJKDOYXNSEERA-UHFFFAOYSA-N 1 2 344.459 2.201 20 30 EEEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](c3cc[nH]n3)C2)C1=O ZINC000177016596 464908634 /nfs/dbraw/zinc/90/86/34/464908634.db2.gz YDCMXMJWMDTJPL-DZGCQCFKSA-N 1 2 341.440 2.328 20 30 EEEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](c3cc[nH]n3)C2)C1=O ZINC000177016596 464908644 /nfs/dbraw/zinc/90/86/44/464908644.db2.gz YDCMXMJWMDTJPL-DZGCQCFKSA-N 1 2 341.440 2.328 20 30 EEEDLO C#CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3ncccn3)C2)CCCCC1 ZINC000276404884 464919610 /nfs/dbraw/zinc/91/96/10/464919610.db2.gz HHFCIHSQYPQICO-KRWDZBQOSA-N 1 2 340.471 2.483 20 30 EEEDLO C#CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncccn3)C2)CCCCC1 ZINC000276404884 464919613 /nfs/dbraw/zinc/91/96/13/464919613.db2.gz HHFCIHSQYPQICO-KRWDZBQOSA-N 1 2 340.471 2.483 20 30 EEEDLO Cc1cc(CNC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)n(C)n1 ZINC000329488640 465349902 /nfs/dbraw/zinc/34/99/02/465349902.db2.gz HEMWGQREALJOGV-UHFFFAOYSA-N 1 2 330.436 2.058 20 30 EEEDLO COCCCOCC[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000358852128 465359437 /nfs/dbraw/zinc/35/94/37/465359437.db2.gz DYINQUYNACSFDO-UHFFFAOYSA-N 1 2 330.388 2.093 20 30 EEEDLO COCCCOCC[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000358852128 465359442 /nfs/dbraw/zinc/35/94/42/465359442.db2.gz DYINQUYNACSFDO-UHFFFAOYSA-N 1 2 330.388 2.093 20 30 EEEDLO O=C(NC[C@@H]1CCCO1)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000329924218 465475586 /nfs/dbraw/zinc/47/55/86/465475586.db2.gz HNMVQBFDVQLMOD-IHRRRGAJSA-N 1 2 341.452 2.343 20 30 EEEDLO O=C(NC[C@@H]1CCCO1)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000329924218 465475590 /nfs/dbraw/zinc/47/55/90/465475590.db2.gz HNMVQBFDVQLMOD-IHRRRGAJSA-N 1 2 341.452 2.343 20 30 EEEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000339740498 465480129 /nfs/dbraw/zinc/48/01/29/465480129.db2.gz JETJSYPIOMLKRM-KBPBESRZSA-N 1 2 328.372 2.045 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@H]2CC=CCC2)cn1 ZINC000329967916 465490362 /nfs/dbraw/zinc/49/03/62/465490362.db2.gz WKDBWPHWNGNRDC-XIRDDKMYSA-N 1 2 349.454 2.192 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@H]2CC=CCC2)cn1 ZINC000329967916 465490365 /nfs/dbraw/zinc/49/03/65/465490365.db2.gz WKDBWPHWNGNRDC-XIRDDKMYSA-N 1 2 349.454 2.192 20 30 EEEDLO N#CC1(F)CC[NH+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000352449418 465530530 /nfs/dbraw/zinc/53/05/30/465530530.db2.gz MRQANNUETAKBGU-INIZCTEOSA-N 1 2 349.381 2.053 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000343659713 465540298 /nfs/dbraw/zinc/54/02/98/465540298.db2.gz DPJLGKVTXQJWDS-KONPQCLYSA-N 1 2 329.444 2.251 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCC(F)(C#N)CC1 ZINC000343854668 465558962 /nfs/dbraw/zinc/55/89/62/465558962.db2.gz AHIZWXHJRLVACD-UHFFFAOYSA-N 1 2 329.379 2.382 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000339948308 465626237 /nfs/dbraw/zinc/62/62/37/465626237.db2.gz STGNQWBODBATAE-OAHLLOKOSA-N 1 2 344.459 2.159 20 30 EEEDLO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1c(F)cncc1F ZINC000353220469 465724928 /nfs/dbraw/zinc/72/49/28/465724928.db2.gz PADXXRJMNXFIPY-NSHDSACASA-N 1 2 330.338 2.198 20 30 EEEDLO COc1ccc(C[N@@H+]2CCN(C(=O)N(C)C)CC2(C)C)cc1C#N ZINC000330690204 465764081 /nfs/dbraw/zinc/76/40/81/465764081.db2.gz FLJKSSMLIQILPB-UHFFFAOYSA-N 1 2 330.432 2.145 20 30 EEEDLO COc1ccc(C[N@H+]2CCN(C(=O)N(C)C)CC2(C)C)cc1C#N ZINC000330690204 465764088 /nfs/dbraw/zinc/76/40/88/465764088.db2.gz FLJKSSMLIQILPB-UHFFFAOYSA-N 1 2 330.432 2.145 20 30 EEEDLO CCc1nnc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)o1 ZINC000299479605 465766833 /nfs/dbraw/zinc/76/68/33/465766833.db2.gz BFEHXOTUFBAEEH-UHFFFAOYSA-N 1 2 339.399 2.354 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000366677484 465872225 /nfs/dbraw/zinc/87/22/25/465872225.db2.gz ISBAYNAMBINODS-RHSMWYFYSA-N 1 2 332.448 2.342 20 30 EEEDLO CO[C@@H]1CC[C@H](NC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000331020998 465900734 /nfs/dbraw/zinc/90/07/34/465900734.db2.gz XYQNYDSVDGKPAB-WDEREUQCSA-N 1 2 334.342 2.359 20 30 EEEDLO CCc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345843918 465909032 /nfs/dbraw/zinc/90/90/32/465909032.db2.gz GLVGBBGFDSRWRN-AWEZNQCLSA-N 1 2 342.443 2.070 20 30 EEEDLO CCc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345843918 465909043 /nfs/dbraw/zinc/90/90/43/465909043.db2.gz GLVGBBGFDSRWRN-AWEZNQCLSA-N 1 2 342.443 2.070 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)o3)[C@@H]2CC)c1 ZINC001087718926 782123574 /nfs/dbraw/zinc/12/35/74/782123574.db2.gz QUNSKRAXTBQWPF-DLBZAZTESA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)o3)[C@@H]2CC)c1 ZINC001087718926 782123582 /nfs/dbraw/zinc/12/35/82/782123582.db2.gz QUNSKRAXTBQWPF-DLBZAZTESA-N 1 2 338.411 2.142 20 30 EEEDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000371825687 466020398 /nfs/dbraw/zinc/02/03/98/466020398.db2.gz XQMXBHSJNHTATN-UHFFFAOYSA-N 1 2 341.371 2.243 20 30 EEEDLO CCC[N@H+](CC(=O)OC(C)(C)C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000349251979 466037158 /nfs/dbraw/zinc/03/71/58/466037158.db2.gz RPFIBRJXSYHEOA-KDOFPFPSSA-N 1 2 339.480 2.483 20 30 EEEDLO CCC[N@@H+](CC(=O)OC(C)(C)C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000349251979 466037163 /nfs/dbraw/zinc/03/71/63/466037163.db2.gz RPFIBRJXSYHEOA-KDOFPFPSSA-N 1 2 339.480 2.483 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000346869323 466211827 /nfs/dbraw/zinc/21/18/27/466211827.db2.gz KZGNKXLEGGAWDL-ZDUSSCGKSA-N 1 2 333.189 2.404 20 30 EEEDLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000346869323 466211832 /nfs/dbraw/zinc/21/18/32/466211832.db2.gz KZGNKXLEGGAWDL-ZDUSSCGKSA-N 1 2 333.189 2.404 20 30 EEEDLO C=C(Br)CNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000302921186 466214396 /nfs/dbraw/zinc/21/43/96/466214396.db2.gz ZZSHXWBUMIAVAQ-NSHDSACASA-N 1 2 327.226 2.148 20 30 EEEDLO C=C(Br)CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000302921186 466214405 /nfs/dbraw/zinc/21/44/05/466214405.db2.gz ZZSHXWBUMIAVAQ-NSHDSACASA-N 1 2 327.226 2.148 20 30 EEEDLO COc1ccc2c(c1)OCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000338636332 466279139 /nfs/dbraw/zinc/27/91/39/466279139.db2.gz NYHYWGFIQWVFKY-LIRRHRJNSA-N 1 2 345.443 2.333 20 30 EEEDLO COc1ccc2c(c1)OCC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000338636332 466279145 /nfs/dbraw/zinc/27/91/45/466279145.db2.gz NYHYWGFIQWVFKY-LIRRHRJNSA-N 1 2 345.443 2.333 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCC1 ZINC000346967117 466287262 /nfs/dbraw/zinc/28/72/62/466287262.db2.gz DHBXWGLHUZOGBJ-UHFFFAOYSA-N 1 2 328.372 2.122 20 30 EEEDLO N#CC1(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCC1 ZINC000346967117 466287270 /nfs/dbraw/zinc/28/72/70/466287270.db2.gz DHBXWGLHUZOGBJ-UHFFFAOYSA-N 1 2 328.372 2.122 20 30 EEEDLO Cc1ccccc1N1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000340857619 466390111 /nfs/dbraw/zinc/39/01/11/466390111.db2.gz UOLMKLPVDQQBFK-UHFFFAOYSA-N 1 2 348.450 2.305 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2cccc(OCC#N)c2)C1 ZINC000373057555 466678037 /nfs/dbraw/zinc/67/80/37/466678037.db2.gz NATRFQTUZSBZQA-INIZCTEOSA-N 1 2 338.411 2.271 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cn4ccsc4n3)C2)nc1 ZINC000370728844 466980807 /nfs/dbraw/zinc/98/08/07/466980807.db2.gz DTFJYIYQXJUISN-CQSZACIVSA-N 1 2 325.397 2.316 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cn4ccsc4n3)C2)nc1 ZINC000370728844 466980811 /nfs/dbraw/zinc/98/08/11/466980811.db2.gz DTFJYIYQXJUISN-CQSZACIVSA-N 1 2 325.397 2.316 20 30 EEEDLO CCO[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000451527363 467259121 /nfs/dbraw/zinc/25/91/21/467259121.db2.gz HGKPVAUQJNDDRZ-WMLDXEAASA-N 1 2 336.457 2.079 20 30 EEEDLO CCO[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000451527363 467259124 /nfs/dbraw/zinc/25/91/24/467259124.db2.gz HGKPVAUQJNDDRZ-WMLDXEAASA-N 1 2 336.457 2.079 20 30 EEEDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000451937785 467289588 /nfs/dbraw/zinc/28/95/88/467289588.db2.gz WECMHLHADUEASE-CYBMUJFWSA-N 1 2 341.864 2.316 20 30 EEEDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000451937785 467289591 /nfs/dbraw/zinc/28/95/91/467289591.db2.gz WECMHLHADUEASE-CYBMUJFWSA-N 1 2 341.864 2.316 20 30 EEEDLO Cc1cccc(-c2nnc(SC[C@@H](O)C[N@H+](C)CCC#N)n2C)c1 ZINC000414098320 467377447 /nfs/dbraw/zinc/37/74/47/467377447.db2.gz OOPHTTAQXLMJGQ-HNNXBMFYSA-N 1 2 345.472 2.089 20 30 EEEDLO Cc1cccc(-c2nnc(SC[C@@H](O)C[N@@H+](C)CCC#N)n2C)c1 ZINC000414098320 467377450 /nfs/dbraw/zinc/37/74/50/467377450.db2.gz OOPHTTAQXLMJGQ-HNNXBMFYSA-N 1 2 345.472 2.089 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(OCC(F)(F)F)cc1 ZINC000414144178 467383400 /nfs/dbraw/zinc/38/34/00/467383400.db2.gz OIAXYLXXZVMOAK-GFCCVEGCSA-N 1 2 332.322 2.213 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(OCC(F)(F)F)cc1 ZINC000414144178 467383404 /nfs/dbraw/zinc/38/34/04/467383404.db2.gz OIAXYLXXZVMOAK-GFCCVEGCSA-N 1 2 332.322 2.213 20 30 EEEDLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc(C#N)s3)[nH+]cn2)C1 ZINC000420652569 467443039 /nfs/dbraw/zinc/44/30/39/467443039.db2.gz MSROXNXWXAGQDI-NEPJUHHUSA-N 1 2 329.429 2.229 20 30 EEEDLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc(C#N)s3)nc[nH+]2)C1 ZINC000420652569 467443044 /nfs/dbraw/zinc/44/30/44/467443044.db2.gz MSROXNXWXAGQDI-NEPJUHHUSA-N 1 2 329.429 2.229 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)CCCCC1 ZINC000524252009 467638810 /nfs/dbraw/zinc/63/88/10/467638810.db2.gz XFZVRMCQBZRUDS-CYBMUJFWSA-N 1 2 347.381 2.372 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)CCCCC1 ZINC000524252009 467638814 /nfs/dbraw/zinc/63/88/14/467638814.db2.gz XFZVRMCQBZRUDS-CYBMUJFWSA-N 1 2 347.381 2.372 20 30 EEEDLO CCN1CCN(C(=O)/C=C/c2ccc(C#N)cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000492723114 467728452 /nfs/dbraw/zinc/72/84/52/467728452.db2.gz WGSJBLXYZXPPLS-OZSKJFCKSA-N 1 2 335.411 2.200 20 30 EEEDLO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ncc(C#N)cn1 ZINC000497037853 467800018 /nfs/dbraw/zinc/80/00/18/467800018.db2.gz QENCVSLSMLMLMB-CHWSQXEVSA-N 1 2 331.420 2.083 20 30 EEEDLO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ncc(C#N)cn1 ZINC000497037853 467800023 /nfs/dbraw/zinc/80/00/23/467800023.db2.gz QENCVSLSMLMLMB-CHWSQXEVSA-N 1 2 331.420 2.083 20 30 EEEDLO CCN(CC)c1ccc(CNc2nc3c(cc2C#N)COCC3)c[nH+]1 ZINC000450255415 467810084 /nfs/dbraw/zinc/81/00/84/467810084.db2.gz MGCNCDFGAOGGME-UHFFFAOYSA-N 1 2 337.427 2.879 20 30 EEEDLO CCCOc1ccc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1OC ZINC000493330675 467888040 /nfs/dbraw/zinc/88/80/40/467888040.db2.gz YPMJDWROZLUSCE-LHUXKHBRSA-N 1 2 345.443 2.457 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)/C=C/c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000493349330 467892180 /nfs/dbraw/zinc/89/21/80/467892180.db2.gz GYGYBAHMZITIEB-VBROQKIQSA-N 1 2 339.374 2.219 20 30 EEEDLO CO[C@@H]1C[NH+](Cc2cc(C#N)ccc2Br)C[C@H]1OC ZINC000493733857 467972767 /nfs/dbraw/zinc/97/27/67/467972767.db2.gz CZLQQHGQWKZZFV-ZIAGYGMSSA-N 1 2 325.206 2.166 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ccc(OC(F)F)cc1 ZINC000517804349 468098081 /nfs/dbraw/zinc/09/80/81/468098081.db2.gz XEFMAFQHAFTKTC-MRXNPFEDSA-N 1 2 325.359 2.181 20 30 EEEDLO CC(C)CN1C[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)CCN2C1=O ZINC000488792577 468104898 /nfs/dbraw/zinc/10/48/98/468104898.db2.gz HNOOCSVOBFJYCM-GOSISDBHSA-N 1 2 329.419 2.255 20 30 EEEDLO CC(C)CN1C[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CCN2C1=O ZINC000488792577 468104901 /nfs/dbraw/zinc/10/49/01/468104901.db2.gz HNOOCSVOBFJYCM-GOSISDBHSA-N 1 2 329.419 2.255 20 30 EEEDLO CC1CC(C#N)(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000532319964 468111502 /nfs/dbraw/zinc/11/15/02/468111502.db2.gz XPSAJMLRPYFIIN-URSIVYNOSA-N 1 2 327.428 2.116 20 30 EEEDLO C=C1CC[NH+](CC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)CC1 ZINC000532960979 468156681 /nfs/dbraw/zinc/15/66/81/468156681.db2.gz UKAQJGVGPFIHOX-UHFFFAOYSA-N 1 2 340.431 2.178 20 30 EEEDLO COc1cc(-c2nc(C[N@@H+]3CC[C@](O)(CC#N)C3)cs2)ccc1O ZINC000592150631 468639390 /nfs/dbraw/zinc/63/93/90/468639390.db2.gz FJTAFROEHKZGJP-QGZVFWFLSA-N 1 2 345.424 2.375 20 30 EEEDLO COc1cc(-c2nc(C[N@H+]3CC[C@](O)(CC#N)C3)cs2)ccc1O ZINC000592150631 468639394 /nfs/dbraw/zinc/63/93/94/468639394.db2.gz FJTAFROEHKZGJP-QGZVFWFLSA-N 1 2 345.424 2.375 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(I)cc2)C1 ZINC000592150496 468639765 /nfs/dbraw/zinc/63/97/65/468639765.db2.gz FKFBLDQPBPREPL-ZDUSSCGKSA-N 1 2 342.180 2.142 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(I)cc2)C1 ZINC000592150496 468639771 /nfs/dbraw/zinc/63/97/71/468639771.db2.gz FKFBLDQPBPREPL-ZDUSSCGKSA-N 1 2 342.180 2.142 20 30 EEEDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC2(CCC2)O1 ZINC000570799383 468694330 /nfs/dbraw/zinc/69/43/30/468694330.db2.gz ZUTRDBMVAQVUSW-RHSMWYFYSA-N 1 2 325.412 2.307 20 30 EEEDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC2(CCC2)O1 ZINC000570799383 468694336 /nfs/dbraw/zinc/69/43/36/468694336.db2.gz ZUTRDBMVAQVUSW-RHSMWYFYSA-N 1 2 325.412 2.307 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Br)c(F)c1 ZINC000571690440 468823671 /nfs/dbraw/zinc/82/36/71/468823671.db2.gz ZLMMGTSOZBCIJG-CYBMUJFWSA-N 1 2 328.185 2.162 20 30 EEEDLO CCn1cc(C[N@H+](CC(=O)NC2(C#N)CCCCC2)C(C)C)cn1 ZINC000593082042 468863327 /nfs/dbraw/zinc/86/33/27/468863327.db2.gz OYWSUXVSENOIBU-UHFFFAOYSA-N 1 2 331.464 2.456 20 30 EEEDLO CCn1cc(C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C(C)C)cn1 ZINC000593082042 468863332 /nfs/dbraw/zinc/86/33/32/468863332.db2.gz OYWSUXVSENOIBU-UHFFFAOYSA-N 1 2 331.464 2.456 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2ccccc2CC#N)CC1(C)C ZINC000601425925 468868052 /nfs/dbraw/zinc/86/80/52/468868052.db2.gz ZMRLLYDSIITKOV-HNNXBMFYSA-N 1 2 344.440 2.258 20 30 EEEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000595613145 468921866 /nfs/dbraw/zinc/92/18/66/468921866.db2.gz AAQJSQNBDCSTFC-NSHDSACASA-N 1 2 337.221 2.408 20 30 EEEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000595613145 468921867 /nfs/dbraw/zinc/92/18/67/468921867.db2.gz AAQJSQNBDCSTFC-NSHDSACASA-N 1 2 337.221 2.408 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000584823116 468943267 /nfs/dbraw/zinc/94/32/67/468943267.db2.gz CLSSFYRAOIODJG-SKDRFNHKSA-N 1 2 340.221 2.440 20 30 EEEDLO C[C@H](CCC#N)CNc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000602647298 468986142 /nfs/dbraw/zinc/98/61/42/468986142.db2.gz ZOHDOOJARDJHBU-MRXNPFEDSA-N 1 2 344.459 2.100 20 30 EEEDLO COc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000595758830 468992186 /nfs/dbraw/zinc/99/21/86/468992186.db2.gz IACRTLXOMNTJPZ-LIRRHRJNSA-N 1 2 329.444 2.496 20 30 EEEDLO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000595758830 468992190 /nfs/dbraw/zinc/99/21/90/468992190.db2.gz IACRTLXOMNTJPZ-LIRRHRJNSA-N 1 2 329.444 2.496 20 30 EEEDLO N#Cc1ccsc1N1CC[C@@H](N2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000610581840 469010489 /nfs/dbraw/zinc/01/04/89/469010489.db2.gz QWGIENKSUZZXPH-HUUCEWRRSA-N 1 2 341.440 2.259 20 30 EEEDLO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@H](C)CC#N)CCCC2 ZINC000602868690 469129625 /nfs/dbraw/zinc/12/96/25/469129625.db2.gz KTZJQCOBVMXONX-SNVBAGLBSA-N 1 2 335.429 2.244 20 30 EEEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccccc1I ZINC000602870864 469130343 /nfs/dbraw/zinc/13/03/43/469130343.db2.gz XYCAXHXPEYCYIH-VIFPVBQESA-N 1 2 343.168 2.121 20 30 EEEDLO N#CCCN1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000611174300 469181605 /nfs/dbraw/zinc/18/16/05/469181605.db2.gz GUEKZRMOIZLDCR-UHFFFAOYSA-N 1 2 340.471 2.344 20 30 EEEDLO CCOC(=O)C1([N@H+](C)Cc2cnc3c(C#N)cnn3c2)CCCCC1 ZINC000563154202 469184938 /nfs/dbraw/zinc/18/49/38/469184938.db2.gz HKKWAQUZPMELDH-UHFFFAOYSA-N 1 2 341.415 2.299 20 30 EEEDLO CCOC(=O)C1([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)CCCCC1 ZINC000563154202 469184945 /nfs/dbraw/zinc/18/49/45/469184945.db2.gz HKKWAQUZPMELDH-UHFFFAOYSA-N 1 2 341.415 2.299 20 30 EEEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000602238152 469252931 /nfs/dbraw/zinc/25/29/31/469252931.db2.gz MXTWQOURTYIIDP-GOSISDBHSA-N 1 2 329.444 2.264 20 30 EEEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000602238152 469252935 /nfs/dbraw/zinc/25/29/35/469252935.db2.gz MXTWQOURTYIIDP-GOSISDBHSA-N 1 2 329.444 2.264 20 30 EEEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1nc(C(F)(F)F)cs1 ZINC000564646703 469256241 /nfs/dbraw/zinc/25/62/41/469256241.db2.gz RRWADRLUNKCXRI-QMMMGPOBSA-N 1 2 332.351 2.375 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCCc1ccc(F)cc1 ZINC000574583444 469276790 /nfs/dbraw/zinc/27/67/90/469276790.db2.gz WLEHPIDITVKGJP-UHFFFAOYSA-N 1 2 347.434 2.223 20 30 EEEDLO COC(=O)c1ccc(F)c2c1C[N@H+](C[C@H](O)CC(C)(C)C#N)CC2 ZINC000599549015 469289239 /nfs/dbraw/zinc/28/92/39/469289239.db2.gz MAJIKMBTCWNBBF-GFCCVEGCSA-N 1 2 334.391 2.271 20 30 EEEDLO COC(=O)c1ccc(F)c2c1C[N@@H+](C[C@H](O)CC(C)(C)C#N)CC2 ZINC000599549015 469289242 /nfs/dbraw/zinc/28/92/42/469289242.db2.gz MAJIKMBTCWNBBF-GFCCVEGCSA-N 1 2 334.391 2.271 20 30 EEEDLO N#Cc1cccc(-c2nnc(Cn3cc(C[NH+]4CCCCC4)nn3)o2)c1 ZINC000603225573 469315255 /nfs/dbraw/zinc/31/52/55/469315255.db2.gz BAVKPHLTPDXTRT-UHFFFAOYSA-N 1 2 349.398 2.234 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(C(=O)OC(C)(C)C)c2)nn1 ZINC000603232732 469317971 /nfs/dbraw/zinc/31/79/71/469317971.db2.gz AGKRJRVAROKBIT-UHFFFAOYSA-N 1 2 340.427 2.395 20 30 EEEDLO CC(C)(C#N)C[C@H](O)Cn1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000603266263 469329810 /nfs/dbraw/zinc/32/98/10/469329810.db2.gz FPGIJDNCWBNKQG-INIZCTEOSA-N 1 2 331.395 2.008 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000596703730 469338943 /nfs/dbraw/zinc/33/89/43/469338943.db2.gz STBSNFSADOQRKK-UONOGXRCSA-N 1 2 346.431 2.188 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000596703730 469338949 /nfs/dbraw/zinc/33/89/49/469338949.db2.gz STBSNFSADOQRKK-UONOGXRCSA-N 1 2 346.431 2.188 20 30 EEEDLO COc1cc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)c(F)cc1C#N ZINC000599814275 469380979 /nfs/dbraw/zinc/38/09/79/469380979.db2.gz ZAYYOBRLXHNLNA-NSHDSACASA-N 1 2 329.335 2.039 20 30 EEEDLO C=C[C@@H]([NH2+]CCCc1cc2c(cc(OC)cc2OC)[nH]1)C(=O)OC ZINC000619702332 469667373 /nfs/dbraw/zinc/66/73/73/469667373.db2.gz LDFYTKMBTHMLPW-OAHLLOKOSA-N 1 2 332.400 2.435 20 30 EEEDLO Cc1cc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000618176975 469914575 /nfs/dbraw/zinc/91/45/75/469914575.db2.gz DWTMYPURPRRREM-HNNXBMFYSA-N 1 2 330.413 2.089 20 30 EEEDLO C=CCC[C@@H](NC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000636782180 470469967 /nfs/dbraw/zinc/46/99/67/470469967.db2.gz QSSACZOMRZBINO-OAHLLOKOSA-N 1 2 326.400 2.192 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2nc(C)ncc2C1 ZINC000642529264 470555244 /nfs/dbraw/zinc/55/52/44/470555244.db2.gz ZCWFMTANOCCWSE-SFHVURJKSA-N 1 2 339.439 2.312 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCc2nc(C)ncc2C1 ZINC000642529264 470555249 /nfs/dbraw/zinc/55/52/49/470555249.db2.gz ZCWFMTANOCCWSE-SFHVURJKSA-N 1 2 339.439 2.312 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2cc(Br)ccc2F)nn1 ZINC000640934975 471127555 /nfs/dbraw/zinc/12/75/55/471127555.db2.gz HIPLNFLIKGODBD-UHFFFAOYSA-N 1 2 337.196 2.341 20 30 EEEDLO C=CCCn1cc(C[NH2+]Cc2cc(C)nc(N3CCCC3)c2)nn1 ZINC000657470354 471146387 /nfs/dbraw/zinc/14/63/87/471146387.db2.gz GGDAGPLLNCVAST-UHFFFAOYSA-N 1 2 326.448 2.448 20 30 EEEDLO C=CCCCCCn1cc(Cn2cc[nH+]c2CN2CCOCC2)nn1 ZINC000641043515 471176965 /nfs/dbraw/zinc/17/69/65/471176965.db2.gz CZMOJBYKOPPPHE-UHFFFAOYSA-N 1 2 344.463 2.102 20 30 EEEDLO C=CCN(CCc1c[nH+]cn1C)S(=O)(=O)c1cccc(Cl)c1 ZINC000663929959 471580106 /nfs/dbraw/zinc/58/01/06/471580106.db2.gz BNWUGABQOGPGHL-UHFFFAOYSA-N 1 2 339.848 2.493 20 30 EEEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)nn1 ZINC000653556111 471664356 /nfs/dbraw/zinc/66/43/56/471664356.db2.gz OCHUFYJVNNVCCA-HNNXBMFYSA-N 1 2 333.480 2.229 20 30 EEEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)nn1 ZINC000653556111 471664362 /nfs/dbraw/zinc/66/43/62/471664362.db2.gz OCHUFYJVNNVCCA-HNNXBMFYSA-N 1 2 333.480 2.229 20 30 EEEDLO C=CCN1CC[C@@H]([NH2+][C@H](CO)c2cccc(Cl)c2Cl)C1=O ZINC000662052421 471969608 /nfs/dbraw/zinc/96/96/08/471969608.db2.gz RITDRGRUWWFQFE-CHWSQXEVSA-N 1 2 329.227 2.403 20 30 EEEDLO C=C[C@@](C)(O)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000668203099 472046458 /nfs/dbraw/zinc/04/64/58/472046458.db2.gz XDROACDRDNNSBD-GOSISDBHSA-N 1 2 339.399 2.199 20 30 EEEDLO Cc1cc(Br)cn2cc(CNc3cc(C#N)ncn3)[nH+]c12 ZINC000559495534 485564001 /nfs/dbraw/zinc/56/40/01/485564001.db2.gz UJTMKSCTQFICCN-UHFFFAOYSA-N 1 2 343.188 2.679 20 30 EEEDLO C=CC[N@@H+](CCOC)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000191149594 526303229 /nfs/dbraw/zinc/30/32/29/526303229.db2.gz XJGLZGMVSHIOJV-CYBMUJFWSA-N 1 2 327.222 2.110 20 30 EEEDLO C=CC[N@H+](CCOC)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000191149594 526303237 /nfs/dbraw/zinc/30/32/37/526303237.db2.gz XJGLZGMVSHIOJV-CYBMUJFWSA-N 1 2 327.222 2.110 20 30 EEEDLO C[C@H](OC(=O)c1ccc2[nH+]ccn2c1)C(=O)NC1(C#N)CCCCC1 ZINC000731907386 577132223 /nfs/dbraw/zinc/13/22/23/577132223.db2.gz GHZAXFQSMGLMCX-ZDUSSCGKSA-N 1 2 340.383 2.222 20 30 EEEDLO CCOCC[NH+]1CCN(C(=O)c2ccccc2SCC#N)CC1 ZINC000732122082 577149541 /nfs/dbraw/zinc/14/95/41/577149541.db2.gz UVHBCOWIQJTEDQ-UHFFFAOYSA-N 1 2 333.457 2.097 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)c2ccc(F)cc2F)CC1 ZINC000772111282 577252153 /nfs/dbraw/zinc/25/21/53/577252153.db2.gz XXTQYPJDIBGOSM-GFCCVEGCSA-N 1 2 335.350 2.424 20 30 EEEDLO C=CCNC(=S)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000765518082 577502424 /nfs/dbraw/zinc/50/24/24/577502424.db2.gz KJNZJUWERQOECA-HUUCEWRRSA-N 1 2 339.892 2.362 20 30 EEEDLO C=CCNC(=S)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000765518082 577502425 /nfs/dbraw/zinc/50/24/25/577502425.db2.gz KJNZJUWERQOECA-HUUCEWRRSA-N 1 2 339.892 2.362 20 30 EEEDLO C=CC[N@H+](CC(=O)OCC)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000768755067 577561863 /nfs/dbraw/zinc/56/18/63/577561863.db2.gz NTUMLTAIDVKDJZ-AWEZNQCLSA-N 1 2 326.437 2.437 20 30 EEEDLO C=CC[N@@H+](CC(=O)OCC)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000768755067 577561862 /nfs/dbraw/zinc/56/18/62/577561862.db2.gz NTUMLTAIDVKDJZ-AWEZNQCLSA-N 1 2 326.437 2.437 20 30 EEEDLO CC(C)[N@H+]1CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[nH]2)[C@H](C)C1 ZINC000769809505 577585000 /nfs/dbraw/zinc/58/50/00/577585000.db2.gz CQLBKTBSTFXQKJ-LLVKDONJSA-N 1 2 345.451 2.415 20 30 EEEDLO CC(C)[N@@H+]1CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[nH]2)[C@H](C)C1 ZINC000769809505 577585001 /nfs/dbraw/zinc/58/50/01/577585001.db2.gz CQLBKTBSTFXQKJ-LLVKDONJSA-N 1 2 345.451 2.415 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2cnn(C3CCCC3)c2CCC)CC1 ZINC000752346813 577769422 /nfs/dbraw/zinc/76/94/22/577769422.db2.gz DDKRAYBNDYQWSF-UHFFFAOYSA-N 1 2 328.460 2.342 20 30 EEEDLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000745086161 577908425 /nfs/dbraw/zinc/90/84/25/577908425.db2.gz KBMXUBZIPDXMPX-DLBZAZTESA-N 1 2 341.411 2.081 20 30 EEEDLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000745086161 577908426 /nfs/dbraw/zinc/90/84/26/577908426.db2.gz KBMXUBZIPDXMPX-DLBZAZTESA-N 1 2 341.411 2.081 20 30 EEEDLO NC(=[NH+]OCc1ccccc1-c1nn[nH]n1)c1ccc(Cl)cc1 ZINC000737729702 578268914 /nfs/dbraw/zinc/26/89/14/578268914.db2.gz BVPRQBKNGIIFPO-UHFFFAOYSA-N 1 2 328.763 2.357 20 30 EEEDLO Cc1cc(C(=O)N[C@@H](C)C2C[NH+](CC#Cc3ccc(F)cc3)C2)no1 ZINC000969264097 674764863 /nfs/dbraw/zinc/76/48/63/674764863.db2.gz WDHOCXDGVMPAOS-AWEZNQCLSA-N 1 2 341.386 2.224 20 30 EEEDLO C=CCCCC(=O)N(C)CCCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001067715187 674962586 /nfs/dbraw/zinc/96/25/86/674962586.db2.gz VUVATLNJKJUCEZ-UHFFFAOYSA-N 1 2 334.464 2.327 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnn(C)c2-n2cccc2)C1 ZINC000970245860 675740009 /nfs/dbraw/zinc/74/00/09/675740009.db2.gz YWRPMZSOUBSJJR-CYBMUJFWSA-N 1 2 347.850 2.013 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)cccc3F)C2)C1 ZINC000972699831 679664427 /nfs/dbraw/zinc/66/44/27/679664427.db2.gz PONLNESJTCDXHO-IBGZPJMESA-N 1 2 330.403 2.074 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)cccc3F)C2)C1 ZINC000972699831 679664428 /nfs/dbraw/zinc/66/44/28/679664428.db2.gz PONLNESJTCDXHO-IBGZPJMESA-N 1 2 330.403 2.074 20 30 EEEDLO Cc1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3cc(F)ccc3C#N)C2)[nH]n1 ZINC000971160930 676417233 /nfs/dbraw/zinc/41/72/33/676417233.db2.gz POPBGYDQUBFAHX-INIZCTEOSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3cc(F)ccc3C#N)C2)[nH]n1 ZINC000971160930 676417234 /nfs/dbraw/zinc/41/72/34/676417234.db2.gz POPBGYDQUBFAHX-INIZCTEOSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3cc(F)ccc3C#N)C2)n[nH]1 ZINC000971160930 676417235 /nfs/dbraw/zinc/41/72/35/676417235.db2.gz POPBGYDQUBFAHX-INIZCTEOSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3cc(F)ccc3C#N)C2)n[nH]1 ZINC000971160930 676417238 /nfs/dbraw/zinc/41/72/38/676417238.db2.gz POPBGYDQUBFAHX-INIZCTEOSA-N 1 2 341.390 2.075 20 30 EEEDLO C[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC000971224659 676448121 /nfs/dbraw/zinc/44/81/21/676448121.db2.gz AGEHLFGOYMVKKB-HNNXBMFYSA-N 1 2 345.418 2.345 20 30 EEEDLO C[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC000971224659 676448122 /nfs/dbraw/zinc/44/81/22/676448122.db2.gz AGEHLFGOYMVKKB-HNNXBMFYSA-N 1 2 345.418 2.345 20 30 EEEDLO CC(C)n1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000971364376 676503639 /nfs/dbraw/zinc/50/36/39/676503639.db2.gz VHTYYFSBHVRUEW-MRXNPFEDSA-N 1 2 340.431 2.010 20 30 EEEDLO CC(C)n1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000971364376 676503641 /nfs/dbraw/zinc/50/36/41/676503641.db2.gz VHTYYFSBHVRUEW-MRXNPFEDSA-N 1 2 340.431 2.010 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@]3(C)CC=C(C)CC3)CC2)C1 ZINC000949529563 676583248 /nfs/dbraw/zinc/58/32/48/676583248.db2.gz ZZAMTOCVYJOWKM-LJQANCHMSA-N 1 2 330.472 2.450 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@]3(C)CC=C(C)CC3)CC2)C1 ZINC000949529563 676583249 /nfs/dbraw/zinc/58/32/49/676583249.db2.gz ZZAMTOCVYJOWKM-LJQANCHMSA-N 1 2 330.472 2.450 20 30 EEEDLO CCCCc1noc([C@@H](C)[N@H+](C)[C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC000971504912 676603478 /nfs/dbraw/zinc/60/34/78/676603478.db2.gz 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340.423 2.465 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cc4ccccc4o3)C2)C1 ZINC000972490042 678895121 /nfs/dbraw/zinc/89/51/21/678895121.db2.gz SASUDWAYAIAQEX-FQEVSTJZSA-N 1 2 340.423 2.465 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(C(F)F)CCCC3)C2)C1 ZINC000972518456 679143009 /nfs/dbraw/zinc/14/30/09/679143009.db2.gz IXOUVHWNSCPRSQ-QGZVFWFLSA-N 1 2 340.414 2.139 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(C(F)F)CCCC3)C2)C1 ZINC000972518456 679143011 /nfs/dbraw/zinc/14/30/11/679143011.db2.gz IXOUVHWNSCPRSQ-QGZVFWFLSA-N 1 2 340.414 2.139 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccccc3)C2)C1 ZINC000972643677 679498199 /nfs/dbraw/zinc/49/81/99/679498199.db2.gz SAFNZLNFSKKQIP-YLJYHZDGSA-N 1 2 326.440 2.117 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccccc3)C2)C1 ZINC000972643677 679498200 /nfs/dbraw/zinc/49/82/00/679498200.db2.gz SAFNZLNFSKKQIP-YLJYHZDGSA-N 1 2 326.440 2.117 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3occ4c3CCCC4)C2)C1 ZINC000972654551 679517082 /nfs/dbraw/zinc/51/70/82/679517082.db2.gz RROXJFUNUOUMTL-FQEVSTJZSA-N 1 2 342.439 2.099 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3occ4c3CCCC4)C2)C1 ZINC000972654551 679517084 /nfs/dbraw/zinc/51/70/84/679517084.db2.gz RROXJFUNUOUMTL-FQEVSTJZSA-N 1 2 342.439 2.099 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CCC(C4CC4)CC3)C2)C1 ZINC000972659186 679523393 /nfs/dbraw/zinc/52/33/93/679523393.db2.gz KPUICPRJTZUUAK-AFMYVXGZSA-N 1 2 330.472 2.139 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CCC(C4CC4)CC3)C2)C1 ZINC000972659186 679523394 /nfs/dbraw/zinc/52/33/94/679523394.db2.gz KPUICPRJTZUUAK-AFMYVXGZSA-N 1 2 330.472 2.139 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(C)c(C)c3)C2)C1 ZINC000972667956 679554524 /nfs/dbraw/zinc/55/45/24/679554524.db2.gz SQIDKXVPNFMIAP-NRFANRHFSA-N 1 2 340.467 2.173 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(C)c(C)c3)C2)C1 ZINC000972667956 679554528 /nfs/dbraw/zinc/55/45/28/679554528.db2.gz SQIDKXVPNFMIAP-NRFANRHFSA-N 1 2 340.467 2.173 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3cccc(F)c3)C2)C1 ZINC000972684353 679599044 /nfs/dbraw/zinc/59/90/44/679599044.db2.gz RPQVURWCKIULDO-UZLBHIALSA-N 1 2 344.430 2.256 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3cccc(F)c3)C2)C1 ZINC000972684353 679599046 /nfs/dbraw/zinc/59/90/46/679599046.db2.gz RPQVURWCKIULDO-UZLBHIALSA-N 1 2 344.430 2.256 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1=CCOCC1 ZINC001024406816 679891347 /nfs/dbraw/zinc/89/13/47/679891347.db2.gz GSULZSRLZNMJSC-CQSZACIVSA-N 1 2 343.265 2.212 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)C1=CCOCC1 ZINC001024406816 679891348 /nfs/dbraw/zinc/89/13/48/679891348.db2.gz GSULZSRLZNMJSC-CQSZACIVSA-N 1 2 343.265 2.212 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)nnn2C ZINC001024509717 680003978 /nfs/dbraw/zinc/00/39/78/680003978.db2.gz YRNDIWHFNPOVOX-CQSZACIVSA-N 1 2 347.850 2.305 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)nnn2C ZINC001024509717 680003982 /nfs/dbraw/zinc/00/39/82/680003982.db2.gz YRNDIWHFNPOVOX-CQSZACIVSA-N 1 2 347.850 2.305 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001058582950 680038340 /nfs/dbraw/zinc/03/83/40/680038340.db2.gz WKNUWUFZQXTYKM-INIZCTEOSA-N 1 2 339.443 2.398 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(CC2CC2)nn1 ZINC001024732926 681394332 /nfs/dbraw/zinc/39/43/32/681394332.db2.gz GKOCQQVZQRXULP-CQSZACIVSA-N 1 2 337.855 2.025 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(CC2CC2)nn1 ZINC001024732926 681394338 /nfs/dbraw/zinc/39/43/38/681394338.db2.gz GKOCQQVZQRXULP-CQSZACIVSA-N 1 2 337.855 2.025 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1c(C)nn2cccnc12 ZINC001024804809 681456543 /nfs/dbraw/zinc/45/65/43/681456543.db2.gz HXHGUVGXTMHPHI-CQSZACIVSA-N 1 2 347.850 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(C)nn2cccnc12 ZINC001024804809 681456547 /nfs/dbraw/zinc/45/65/47/681456547.db2.gz HXHGUVGXTMHPHI-CQSZACIVSA-N 1 2 347.850 2.375 20 30 EEEDLO C[C@@H]1CCCC[C@H]1OCCNC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000178151300 681718383 /nfs/dbraw/zinc/71/83/83/681718383.db2.gz PPZHBFITNIUBHG-GDBMZVCRSA-N 1 2 333.432 2.035 20 30 EEEDLO Cc1cccc(C)c1OCCNC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000178150471 681718560 /nfs/dbraw/zinc/71/85/60/681718560.db2.gz WORPCFKRGQHZAY-UHFFFAOYSA-N 1 2 341.411 2.136 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000983075430 681749635 /nfs/dbraw/zinc/74/96/35/681749635.db2.gz NGADINGDRBGUHO-RBSFLKMASA-N 1 2 344.459 2.080 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000983075430 681749641 /nfs/dbraw/zinc/74/96/41/681749641.db2.gz NGADINGDRBGUHO-RBSFLKMASA-N 1 2 344.459 2.080 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001025041005 681814980 /nfs/dbraw/zinc/81/49/80/681814980.db2.gz QVZYCUZRLYALCF-AWEZNQCLSA-N 1 2 348.495 2.111 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001059107801 682131160 /nfs/dbraw/zinc/13/11/60/682131160.db2.gz KIPHFNSUMHQXPP-YNEHKIRRSA-N 1 2 339.374 2.237 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001059107801 682131162 /nfs/dbraw/zinc/13/11/62/682131162.db2.gz KIPHFNSUMHQXPP-YNEHKIRRSA-N 1 2 339.374 2.237 20 30 EEEDLO CC(F)(F)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001006566154 682686438 /nfs/dbraw/zinc/68/64/38/682686438.db2.gz KTWDMGXUWICQDB-CYBMUJFWSA-N 1 2 325.334 2.433 20 30 EEEDLO CC(F)(F)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001006566154 682686440 /nfs/dbraw/zinc/68/64/40/682686440.db2.gz KTWDMGXUWICQDB-CYBMUJFWSA-N 1 2 325.334 2.433 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccncc3)C2)s1 ZINC001006580904 683254230 /nfs/dbraw/zinc/25/42/30/683254230.db2.gz UJXKYVHYDOKZIO-CQSZACIVSA-N 1 2 326.425 2.409 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccncc3)C2)s1 ZINC001006580904 683254233 /nfs/dbraw/zinc/25/42/33/683254233.db2.gz UJXKYVHYDOKZIO-CQSZACIVSA-N 1 2 326.425 2.409 20 30 EEEDLO Cc1nn(C)cc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029243665 683673286 /nfs/dbraw/zinc/67/32/86/683673286.db2.gz KXAOVRZZXOJLDA-KDURUIRLSA-N 1 2 348.450 2.069 20 30 EEEDLO Cc1nn(C)cc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029243665 683673292 /nfs/dbraw/zinc/67/32/92/683673292.db2.gz KXAOVRZZXOJLDA-KDURUIRLSA-N 1 2 348.450 2.069 20 30 EEEDLO CC(C)(O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001029290446 683867250 /nfs/dbraw/zinc/86/72/50/683867250.db2.gz PKYNMNPTCVGAQK-IYBDPMFKSA-N 1 2 345.418 2.034 20 30 EEEDLO CC(C)(O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001029290446 683867256 /nfs/dbraw/zinc/86/72/56/683867256.db2.gz PKYNMNPTCVGAQK-IYBDPMFKSA-N 1 2 345.418 2.034 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cocn2)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000993101887 683925695 /nfs/dbraw/zinc/92/56/95/683925695.db2.gz GYDPHLBZNPKBME-LRDDRELGSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cocn2)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000993101887 683925697 /nfs/dbraw/zinc/92/56/97/683925697.db2.gz GYDPHLBZNPKBME-LRDDRELGSA-N 1 2 342.374 2.468 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3nccs3)C2)nc1 ZINC001027655771 693809826 /nfs/dbraw/zinc/80/98/26/693809826.db2.gz BSXVNIRSQMQHRL-OAHLLOKOSA-N 1 2 340.452 2.256 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3nccs3)C2)nc1 ZINC001027655771 693809830 /nfs/dbraw/zinc/80/98/30/693809830.db2.gz BSXVNIRSQMQHRL-OAHLLOKOSA-N 1 2 340.452 2.256 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@@H+]1Cc1ccns1 ZINC000993175606 684043890 /nfs/dbraw/zinc/04/38/90/684043890.db2.gz ZUNVOWGYZTXYLF-RISCZKNCSA-N 1 2 329.429 2.126 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@H+]1Cc1ccns1 ZINC000993175606 684043894 /nfs/dbraw/zinc/04/38/94/684043894.db2.gz ZUNVOWGYZTXYLF-RISCZKNCSA-N 1 2 329.429 2.126 20 30 EEEDLO C#CCOc1ccccc1CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000896376814 684959478 /nfs/dbraw/zinc/95/94/78/684959478.db2.gz UOSDQGBWUXNUEM-KRWDZBQOSA-N 1 2 338.411 2.118 20 30 EEEDLO C#CCOc1ccccc1CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000896376814 684959479 /nfs/dbraw/zinc/95/94/79/684959479.db2.gz UOSDQGBWUXNUEM-KRWDZBQOSA-N 1 2 338.411 2.118 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)NC(=O)C3)C(C)(C)C1 ZINC000974618482 685119753 /nfs/dbraw/zinc/11/97/53/685119753.db2.gz CIFXADJRVYPFOH-OAHLLOKOSA-N 1 2 347.846 2.374 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)NC(=O)C3)C(C)(C)C1 ZINC000974618482 685119755 /nfs/dbraw/zinc/11/97/55/685119755.db2.gz CIFXADJRVYPFOH-OAHLLOKOSA-N 1 2 347.846 2.374 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@H]2C[C@H](Nc3cnc(C#N)cn3)C2)c(C)[nH+]1 ZINC001059476851 685663691 /nfs/dbraw/zinc/66/36/91/685663691.db2.gz BWCAMRVQHBXMML-HDJSIYSDSA-N 1 2 336.399 2.041 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H](C[N@@H+](C)Cc3nnc(C)[nH]3)C2)CC1 ZINC001029825383 687219710 /nfs/dbraw/zinc/21/97/10/687219710.db2.gz CKPQGSZMIBUWAH-OAHLLOKOSA-N 1 2 331.464 2.140 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H](C[N@H+](C)Cc3nnc(C)[nH]3)C2)CC1 ZINC001029825383 687219714 /nfs/dbraw/zinc/21/97/14/687219714.db2.gz CKPQGSZMIBUWAH-OAHLLOKOSA-N 1 2 331.464 2.140 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc(C)on2)C1 ZINC001027288911 687248712 /nfs/dbraw/zinc/24/87/12/687248712.db2.gz MTVCPYLEWWVRCH-GFCCVEGCSA-N 1 2 342.237 2.428 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(C)on2)C1 ZINC001027288911 687248713 /nfs/dbraw/zinc/24/87/13/687248713.db2.gz MTVCPYLEWWVRCH-GFCCVEGCSA-N 1 2 342.237 2.428 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001009299946 687256498 /nfs/dbraw/zinc/25/64/98/687256498.db2.gz OAMAXUQUHCSOHQ-GFCCVEGCSA-N 1 2 346.818 2.282 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001009299946 687256504 /nfs/dbraw/zinc/25/65/04/687256504.db2.gz OAMAXUQUHCSOHQ-GFCCVEGCSA-N 1 2 346.818 2.282 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2CNC(=O)c2cccnc2)c1 ZINC001027726565 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/nfs/dbraw/zinc/77/97/85/691779785.db2.gz YWBDQVXESVUKMR-AEFFLSMTSA-N 1 2 345.468 2.081 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@]34CCOC4)CC2)s1 ZINC000989440980 691779788 /nfs/dbraw/zinc/77/97/88/691779788.db2.gz YWBDQVXESVUKMR-AEFFLSMTSA-N 1 2 345.468 2.081 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[N@@H+](Cc2cnc(C)cn2)CC1 ZINC000989564868 692040239 /nfs/dbraw/zinc/04/02/39/692040239.db2.gz RCHQADNGTKDDRP-UHFFFAOYSA-N 1 2 348.450 2.043 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[N@H+](Cc2cnc(C)cn2)CC1 ZINC000989564868 692040241 /nfs/dbraw/zinc/04/02/41/692040241.db2.gz RCHQADNGTKDDRP-UHFFFAOYSA-N 1 2 348.450 2.043 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C)C1 ZINC000989792106 692322781 /nfs/dbraw/zinc/32/27/81/692322781.db2.gz IGVLEICZCAIXES-OAGGEKHMSA-N 1 2 344.459 2.296 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2CC23CCOCC3)C(C)(C)C1 ZINC000977679514 692896670 /nfs/dbraw/zinc/89/66/70/692896670.db2.gz LJKRMBRHBBCFPH-KGLIPLIRSA-N 1 2 326.868 2.382 20 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/nfs/dbraw/zinc/20/40/72/1193204072.db2.gz ZTZHEFNOTSBMBL-UHFFFAOYSA-N 1 2 335.795 2.263 20 30 EEEDLO C=CC[C@@H](C)C(=O)N1CC2(C[C@@H]2C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001268907902 1183809669 /nfs/dbraw/zinc/80/96/69/1183809669.db2.gz WAUUBBPXXWCUSW-ZIAGYGMSSA-N 1 2 338.411 2.334 20 30 EEEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)CCc1ccc(C)[nH+]c1C ZINC001269505906 1184327509 /nfs/dbraw/zinc/32/75/09/1184327509.db2.gz CEDYPSTYMUIADX-QZTJIDSGSA-N 1 2 341.455 2.409 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cocn2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088491586 1187036480 /nfs/dbraw/zinc/03/64/80/1187036480.db2.gz IOTSVYLUJNPWOR-ABAIWWIYSA-N 1 2 328.347 2.078 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cocn2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088491586 1187036482 /nfs/dbraw/zinc/03/64/82/1187036482.db2.gz IOTSVYLUJNPWOR-ABAIWWIYSA-N 1 2 328.347 2.078 20 30 EEEDLO CCC[C@@H](OC)C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001482617652 1187426823 /nfs/dbraw/zinc/42/68/23/1187426823.db2.gz NOKBYGIHZDGRSV-QGZVFWFLSA-N 1 2 335.423 2.403 20 30 EEEDLO CCC[C@@H](OC)C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001482617652 1187426824 /nfs/dbraw/zinc/42/68/24/1187426824.db2.gz NOKBYGIHZDGRSV-QGZVFWFLSA-N 1 2 335.423 2.403 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1c[nH]nc1C1CC1 ZINC001482639291 1187466595 /nfs/dbraw/zinc/46/65/95/1187466595.db2.gz CWDBQPMQTOXWQA-UHFFFAOYSA-N 1 2 337.427 2.363 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1c[nH]nc1C1CC1 ZINC001482639291 1187466598 /nfs/dbraw/zinc/46/65/98/1187466598.db2.gz CWDBQPMQTOXWQA-UHFFFAOYSA-N 1 2 337.427 2.363 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C[C@H]2C2CC2)cc1C#N ZINC001272119477 1187927615 /nfs/dbraw/zinc/92/76/15/1187927615.db2.gz RBPIPBUBKQNHEU-NBMJBFSESA-N 1 2 338.455 2.118 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C[C@H]2C2CC2)cc1C#N ZINC001272119477 1187927625 /nfs/dbraw/zinc/92/76/25/1187927625.db2.gz RBPIPBUBKQNHEU-NBMJBFSESA-N 1 2 338.455 2.118 20 30 EEEDLO C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCN3CCn3cc[nH+]c3)C2)c1 ZINC001272123456 1187932252 /nfs/dbraw/zinc/93/22/52/1187932252.db2.gz NPXZLIDYBWGHOQ-INIZCTEOSA-N 1 2 349.438 2.111 20 30 EEEDLO C[C@@H](C#N)c1cccc(C(=O)N2CC3(CC[N@@H+]3CCn3ccnc3)C2)c1 ZINC001272123456 1187932254 /nfs/dbraw/zinc/93/22/54/1187932254.db2.gz NPXZLIDYBWGHOQ-INIZCTEOSA-N 1 2 349.438 2.111 20 30 EEEDLO C[C@@H](C#N)c1cccc(C(=O)N2CC3(CC[N@H+]3CCn3ccnc3)C2)c1 ZINC001272123456 1187932259 /nfs/dbraw/zinc/93/22/59/1187932259.db2.gz NPXZLIDYBWGHOQ-INIZCTEOSA-N 1 2 349.438 2.111 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(OC)ccnc2OC)[C@H]1C ZINC001088740003 1188399278 /nfs/dbraw/zinc/39/92/78/1188399278.db2.gz JLSVKSADTOTRGL-NEPJUHHUSA-N 1 2 339.823 2.044 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(OC)ccnc2OC)[C@H]1C ZINC001088740003 1188399281 /nfs/dbraw/zinc/39/92/81/1188399281.db2.gz JLSVKSADTOTRGL-NEPJUHHUSA-N 1 2 339.823 2.044 20 30 EEEDLO C#CCC1(C(=O)NCC[C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001076836719 1189188087 /nfs/dbraw/zinc/18/80/87/1189188087.db2.gz XFJOGNROFXERRQ-JKSUJKDBSA-N 1 2 344.459 2.039 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC001483411103 1190457412 /nfs/dbraw/zinc/45/74/12/1190457412.db2.gz SBQUHOOVQNCNJW-ZDUSSCGKSA-N 1 2 337.851 2.191 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC001483411103 1190457418 /nfs/dbraw/zinc/45/74/18/1190457418.db2.gz SBQUHOOVQNCNJW-ZDUSSCGKSA-N 1 2 337.851 2.191 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC1(O)C[NH+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC001484265542 1191290459 /nfs/dbraw/zinc/29/04/59/1191290459.db2.gz ZDIFODDZNBYCFN-INIZCTEOSA-N 1 2 349.434 2.176 20 30 EEEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc(OCCC)cc1)C2 ZINC001272987551 1194295635 /nfs/dbraw/zinc/29/56/35/1194295635.db2.gz DCOQENHKHOYMOV-UHFFFAOYSA-N 1 2 344.455 2.465 20 30 EEEDLO Cc1nocc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033379768 1194494006 /nfs/dbraw/zinc/49/40/06/1194494006.db2.gz ZHQSNOFQDCBHGN-LBPRGKRZSA-N 1 2 330.413 2.263 20 30 EEEDLO Cc1nocc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033379768 1194494009 /nfs/dbraw/zinc/49/40/09/1194494009.db2.gz ZHQSNOFQDCBHGN-LBPRGKRZSA-N 1 2 330.413 2.263 20 30 EEEDLO CCc1nocc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033401302 1194544114 /nfs/dbraw/zinc/54/41/14/1194544114.db2.gz SGTUMJRTSDZZHV-INIZCTEOSA-N 1 2 338.411 2.455 20 30 EEEDLO CCc1nocc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033401302 1194544116 /nfs/dbraw/zinc/54/41/16/1194544116.db2.gz SGTUMJRTSDZZHV-INIZCTEOSA-N 1 2 338.411 2.455 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC001033689625 1195085441 /nfs/dbraw/zinc/08/54/41/1195085441.db2.gz DNLAYIGIGOURJO-LBPRGKRZSA-N 1 2 335.791 2.432 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC001033689625 1195085444 /nfs/dbraw/zinc/08/54/44/1195085444.db2.gz DNLAYIGIGOURJO-LBPRGKRZSA-N 1 2 335.791 2.432 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001033717853 1195129843 /nfs/dbraw/zinc/12/98/43/1195129843.db2.gz GOGZEJDRNPJCSE-CYBMUJFWSA-N 1 2 348.834 2.178 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001033717853 1195129846 /nfs/dbraw/zinc/12/98/46/1195129846.db2.gz GOGZEJDRNPJCSE-CYBMUJFWSA-N 1 2 348.834 2.178 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3nc[nH]c3n2)C1 ZINC001033865516 1195394720 /nfs/dbraw/zinc/39/47/20/1195394720.db2.gz FTDJWVBIZPWWQV-LBPRGKRZSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3nc[nH]c3n2)C1 ZINC001033865516 1195394725 /nfs/dbraw/zinc/39/47/25/1195394725.db2.gz FTDJWVBIZPWWQV-LBPRGKRZSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnn(C)c2Cl)C1 ZINC001033875617 1195412623 /nfs/dbraw/zinc/41/26/23/1195412623.db2.gz HZNVNODCBPJIEY-NSHDSACASA-N 1 2 331.247 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn(C)c2Cl)C1 ZINC001033875617 1195412625 /nfs/dbraw/zinc/41/26/25/1195412625.db2.gz HZNVNODCBPJIEY-NSHDSACASA-N 1 2 331.247 2.362 20 30 EEEDLO C[C@@H](CCCCNc1ccc(C#N)nc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001090155666 1195504959 /nfs/dbraw/zinc/50/49/59/1195504959.db2.gz CXGFPYZYNYEKHK-ZDUSSCGKSA-N 1 2 326.404 2.006 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]2OCCN(c3nc(C)[nH+]c(C)c3C)[C@H]2C1 ZINC001090176568 1195623985 /nfs/dbraw/zinc/62/39/85/1195623985.db2.gz KOVWURIPNVWPKL-IRXDYDNUSA-N 1 2 344.459 2.174 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]2OCCN(c3cc(CC)[nH+]c(C)n3)[C@H]2C1 ZINC001090176783 1195626113 /nfs/dbraw/zinc/62/61/13/1195626113.db2.gz KPXDEEGRJYELIE-DLBZAZTESA-N 1 2 344.459 2.120 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2nccn3cc(C)nc23)C1 ZINC001034014890 1195635687 /nfs/dbraw/zinc/63/56/87/1195635687.db2.gz FSTBIPDIGHAQJI-AWEZNQCLSA-N 1 2 347.850 2.327 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2nccn3cc(C)nc23)C1 ZINC001034014890 1195635688 /nfs/dbraw/zinc/63/56/88/1195635688.db2.gz FSTBIPDIGHAQJI-AWEZNQCLSA-N 1 2 347.850 2.327 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2c(C)nn(C)c2F)C1 ZINC001034033113 1195663260 /nfs/dbraw/zinc/66/32/60/1195663260.db2.gz VZKUNWQAAWXGST-GFCCVEGCSA-N 1 2 328.819 2.157 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2c(C)nn(C)c2F)C1 ZINC001034033113 1195663261 /nfs/dbraw/zinc/66/32/61/1195663261.db2.gz VZKUNWQAAWXGST-GFCCVEGCSA-N 1 2 328.819 2.157 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)C(F)F)C2)c(F)c1 ZINC001034064324 1195718308 /nfs/dbraw/zinc/71/83/08/1195718308.db2.gz IMMSLVWWKOEDNJ-CYBMUJFWSA-N 1 2 325.334 2.433 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)C(F)F)C2)c(F)c1 ZINC001034064324 1195718312 /nfs/dbraw/zinc/71/83/12/1195718312.db2.gz IMMSLVWWKOEDNJ-CYBMUJFWSA-N 1 2 325.334 2.433 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnc(Cl)n2C)C1 ZINC001034308052 1196076083 /nfs/dbraw/zinc/07/60/83/1196076083.db2.gz SJLRMHWOLQXUBM-LLVKDONJSA-N 1 2 331.247 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnc(Cl)n2C)C1 ZINC001034308052 1196076085 /nfs/dbraw/zinc/07/60/85/1196076085.db2.gz SJLRMHWOLQXUBM-LLVKDONJSA-N 1 2 331.247 2.410 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H](NC(=O)c3[nH]ncc3F)C2)cc1 ZINC001034380806 1196163752 /nfs/dbraw/zinc/16/37/52/1196163752.db2.gz KJLOWYRLVWZHAE-HNNXBMFYSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)c3[nH]ncc3F)C2)cc1 ZINC001034380806 1196163754 /nfs/dbraw/zinc/16/37/54/1196163754.db2.gz KJLOWYRLVWZHAE-HNNXBMFYSA-N 1 2 341.390 2.205 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2coc(C)n2)C1 ZINC001034409481 1196180761 /nfs/dbraw/zinc/18/07/61/1196180761.db2.gz UTKSXUTZDNRJLI-UAGQMJEPSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2coc(C)n2)C1 ZINC001034409481 1196180763 /nfs/dbraw/zinc/18/07/63/1196180763.db2.gz UTKSXUTZDNRJLI-UAGQMJEPSA-N 1 2 333.432 2.045 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCCC[N@@H+]([C@H](C)c3ncccn3)C2)c1 ZINC001034393166 1196182223 /nfs/dbraw/zinc/18/22/23/1196182223.db2.gz RWCTWGXRTLAWLQ-CRAIPNDOSA-N 1 2 349.438 2.198 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCCC[N@H+]([C@H](C)c3ncccn3)C2)c1 ZINC001034393166 1196182225 /nfs/dbraw/zinc/18/22/25/1196182225.db2.gz RWCTWGXRTLAWLQ-CRAIPNDOSA-N 1 2 349.438 2.198 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC001034826168 1196788713 /nfs/dbraw/zinc/78/87/13/1196788713.db2.gz JQWACVCUQLICQZ-MSOLQXFVSA-N 1 2 341.411 2.172 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(CC)o1 ZINC001034957716 1196918691 /nfs/dbraw/zinc/91/86/91/1196918691.db2.gz GIYMXFFVGJRQOG-CQSZACIVSA-N 1 2 343.431 2.014 20 30 EEEDLO C=CCN1C(=O)COCC12C[NH+](Cc1c[nH]c3cccc(Cl)c13)C2 ZINC001273155408 1197109133 /nfs/dbraw/zinc/10/91/33/1197109133.db2.gz ZYXBMQNLBJAPPL-UHFFFAOYSA-N 1 2 345.830 2.421 20 30 EEEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Cl)cnc1OC ZINC001273214912 1197561714 /nfs/dbraw/zinc/56/17/14/1197561714.db2.gz DKEMIODEEFYZRQ-HUUCEWRRSA-N 1 2 335.835 2.495 20 30 EEEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)cnc1OC ZINC001273214912 1197561716 /nfs/dbraw/zinc/56/17/16/1197561716.db2.gz DKEMIODEEFYZRQ-HUUCEWRRSA-N 1 2 335.835 2.495 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095320712 1197926121 /nfs/dbraw/zinc/92/61/21/1197926121.db2.gz NLGCJHFFNGQSOR-QAPCUYQASA-N 1 2 332.448 2.417 20 30 EEEDLO CNS(=O)(=O)c1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1 ZINC000125289467 1199143236 /nfs/dbraw/zinc/14/32/36/1199143236.db2.gz UAQPBHXJMUVQPJ-JXMROGBWSA-N 1 2 341.392 2.139 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC001132001894 1199188609 /nfs/dbraw/zinc/18/86/09/1199188609.db2.gz FCNINSYQGMBCLK-AEFFLSMTSA-N 1 2 341.455 2.398 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccccc2)C1 ZINC001132001894 1199188611 /nfs/dbraw/zinc/18/86/11/1199188611.db2.gz FCNINSYQGMBCLK-AEFFLSMTSA-N 1 2 341.455 2.398 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001132042525 1199227455 /nfs/dbraw/zinc/22/74/55/1199227455.db2.gz VRGILVNVCUCYLA-HOCLYGCPSA-N 1 2 349.862 2.244 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cccc(Cl)n2)C1 ZINC001132042525 1199227460 /nfs/dbraw/zinc/22/74/60/1199227460.db2.gz VRGILVNVCUCYLA-HOCLYGCPSA-N 1 2 349.862 2.244 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2cccc(C)c2F)CC[C@H]1C ZINC001132055105 1199242527 /nfs/dbraw/zinc/24/25/27/1199242527.db2.gz XKIBRPJKQMEKNF-CABCVRRESA-N 1 2 347.434 2.019 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2cccc(C)c2F)CC[C@H]1C ZINC001132055105 1199242530 /nfs/dbraw/zinc/24/25/30/1199242530.db2.gz XKIBRPJKQMEKNF-CABCVRRESA-N 1 2 347.434 2.019 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1noc2c1CCCC2 ZINC001132045883 1199252657 /nfs/dbraw/zinc/25/26/57/1199252657.db2.gz KOKVPIKSUISHTM-HOCLYGCPSA-N 1 2 341.455 2.436 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1noc2c1CCCC2 ZINC001132045883 1199252665 /nfs/dbraw/zinc/25/26/65/1199252665.db2.gz KOKVPIKSUISHTM-HOCLYGCPSA-N 1 2 341.455 2.436 20 30 EEEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ncc(Cl)s2)CC[C@H]1C ZINC001132169195 1199383095 /nfs/dbraw/zinc/38/30/95/1199383095.db2.gz KPMMLGIOYMDNHO-NEPJUHHUSA-N 1 2 341.864 2.029 20 30 EEEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ncc(Cl)s2)CC[C@H]1C ZINC001132169195 1199383099 /nfs/dbraw/zinc/38/30/99/1199383099.db2.gz KPMMLGIOYMDNHO-NEPJUHHUSA-N 1 2 341.864 2.029 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccn(C)n2)C1 ZINC001132227552 1199468168 /nfs/dbraw/zinc/46/81/68/1199468168.db2.gz GEWNYSRBXYOLQN-IAGOWNOFSA-N 1 2 330.476 2.473 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccn(C)n2)C1 ZINC001132227552 1199468172 /nfs/dbraw/zinc/46/81/72/1199468172.db2.gz GEWNYSRBXYOLQN-IAGOWNOFSA-N 1 2 330.476 2.473 20 30 EEEDLO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccn(C)n2)C1 ZINC001132227554 1199468567 /nfs/dbraw/zinc/46/85/67/1199468567.db2.gz GEWNYSRBXYOLQN-SJORKVTESA-N 1 2 330.476 2.473 20 30 EEEDLO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccn(C)n2)C1 ZINC001132227554 1199468572 /nfs/dbraw/zinc/46/85/72/1199468572.db2.gz GEWNYSRBXYOLQN-SJORKVTESA-N 1 2 330.476 2.473 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nnsc1Cl ZINC001134345209 1199507088 /nfs/dbraw/zinc/50/70/88/1199507088.db2.gz RELLPVMVVIZYKV-QWRGUYRKSA-N 1 2 328.869 2.224 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000810442069 1199524367 /nfs/dbraw/zinc/52/43/67/1199524367.db2.gz GRYBPITYOUUZIH-LJQANCHMSA-N 1 2 331.460 2.165 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(-c2ccc(F)cc2)no1 ZINC001132395480 1199651599 /nfs/dbraw/zinc/65/15/99/1199651599.db2.gz CGHWYJOKXVPNFV-UHFFFAOYSA-N 1 2 332.379 2.294 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2cc(C)c(CC)o2)CC[C@@H]1C ZINC001132419581 1199669487 /nfs/dbraw/zinc/66/94/87/1199669487.db2.gz DZICJHUWSPTQPR-LSDHHAIUSA-N 1 2 347.459 2.035 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2cc(C)c(CC)o2)CC[C@@H]1C ZINC001132419581 1199669491 /nfs/dbraw/zinc/66/94/91/1199669491.db2.gz DZICJHUWSPTQPR-LSDHHAIUSA-N 1 2 347.459 2.035 20 30 EEEDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)[nH]1 ZINC000877745423 1200069173 /nfs/dbraw/zinc/06/91/73/1200069173.db2.gz UFMTUQMHXNBWMI-UHFFFAOYSA-N 1 2 338.411 2.385 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)cn1 ZINC000877746970 1200070811 /nfs/dbraw/zinc/07/08/11/1200070811.db2.gz PLVMFYWORPNORG-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO CN(C)S(=O)(=O)c1ccc(NN=Cc2cccc3[nH+]ccn32)cc1 ZINC000812231298 1200571886 /nfs/dbraw/zinc/57/18/86/1200571886.db2.gz SZRJUDWYTMYMAW-UHFFFAOYSA-N 1 2 343.412 2.031 20 30 EEEDLO CC(C)(C)C1CCC(C#N)(NC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000867462677 1201617652 /nfs/dbraw/zinc/61/76/52/1201617652.db2.gz IAYITUPIXKYZME-PLNGDYQASA-N 1 2 333.476 2.490 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)c2cccc(C(F)(F)F)c2)nn1 ZINC000881405092 1201693609 /nfs/dbraw/zinc/69/36/09/1201693609.db2.gz ADJNFTXOXDEPPJ-OAHLLOKOSA-N 1 2 338.333 2.143 20 30 EEEDLO C[C@@H]1C[C@H](NC(=O)C(F)F)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000946952292 1201832409 /nfs/dbraw/zinc/83/24/09/1201832409.db2.gz KNXPDASVQFFFGX-QMTHXVAHSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@@H]1C[C@H](NC(=O)C(F)F)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000946952292 1201832410 /nfs/dbraw/zinc/83/24/10/1201832410.db2.gz KNXPDASVQFFFGX-QMTHXVAHSA-N 1 2 325.334 2.432 20 30 EEEDLO N#Cc1ccncc1N1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000795040671 1201895516 /nfs/dbraw/zinc/89/55/16/1201895516.db2.gz DYXDMSUZFJPMIE-UHFFFAOYSA-N 1 2 336.424 2.280 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC001015073327 1224711593 /nfs/dbraw/zinc/71/15/93/1224711593.db2.gz KQWUKWJTUOTQDE-MRXNPFEDSA-N 1 2 349.438 2.164 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC001015073327 1224711598 /nfs/dbraw/zinc/71/15/98/1224711598.db2.gz KQWUKWJTUOTQDE-MRXNPFEDSA-N 1 2 349.438 2.164 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(F)F)cc2)C1 ZINC000885509854 1202420354 /nfs/dbraw/zinc/42/03/54/1202420354.db2.gz XYVVAIDKULTCIJ-ZDUSSCGKSA-N 1 2 328.384 2.000 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(F)F)cc2)C1 ZINC000885509854 1202420356 /nfs/dbraw/zinc/42/03/56/1202420356.db2.gz XYVVAIDKULTCIJ-ZDUSSCGKSA-N 1 2 328.384 2.000 20 30 EEEDLO N#Cc1ccnc(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)c1 ZINC001274209751 1204464399 /nfs/dbraw/zinc/46/43/99/1204464399.db2.gz JLRPUJYSVCHGGF-UHFFFAOYSA-N 1 2 338.333 2.196 20 30 EEEDLO N#Cc1ccnc(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)c1 ZINC001274209751 1204464401 /nfs/dbraw/zinc/46/44/01/1204464401.db2.gz JLRPUJYSVCHGGF-UHFFFAOYSA-N 1 2 338.333 2.196 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cc(C)c(OC)nc2OC)C1=O ZINC001274215848 1204474405 /nfs/dbraw/zinc/47/44/05/1204474405.db2.gz OYFATEXOIKMGRB-LJQANCHMSA-N 1 2 345.443 2.160 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(C)c(OC)nc2OC)C1=O ZINC001274215848 1204474408 /nfs/dbraw/zinc/47/44/08/1204474408.db2.gz OYFATEXOIKMGRB-LJQANCHMSA-N 1 2 345.443 2.160 20 30 EEEDLO C=CCN(CCOC)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890251396 1204815896 /nfs/dbraw/zinc/81/58/96/1204815896.db2.gz VQKVBOMVPFEWPK-KRWDZBQOSA-N 1 2 328.416 2.468 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C)CC1 ZINC001015171243 1224856181 /nfs/dbraw/zinc/85/61/81/1224856181.db2.gz AUHCQOLEXZYCNS-GOEBONIOSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001095411517 1204929926 /nfs/dbraw/zinc/92/99/26/1204929926.db2.gz XTSNULMRYKEKNU-LJQANCHMSA-N 1 2 344.459 2.075 20 30 EEEDLO C#CCN1C(=O)COCC12C[NH+](Cc1c(C)cc(Cl)cc1C)C2 ZINC001274233698 1204971647 /nfs/dbraw/zinc/97/16/47/1204971647.db2.gz DSMCIVPQNDPJNZ-UHFFFAOYSA-N 1 2 332.831 2.003 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Cl)cc(F)c1O ZINC001274365907 1205010491 /nfs/dbraw/zinc/01/04/91/1205010491.db2.gz MODJSOIULPMLHC-HUUCEWRRSA-N 1 2 336.794 2.383 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)cc(F)c1O ZINC001274365907 1205010496 /nfs/dbraw/zinc/01/04/96/1205010496.db2.gz MODJSOIULPMLHC-HUUCEWRRSA-N 1 2 336.794 2.383 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@]23CCN(C2COC2)C3=O)cc1Cl ZINC001274492020 1205056925 /nfs/dbraw/zinc/05/69/25/1205056925.db2.gz DZVCFVXSLPIKAD-SFHVURJKSA-N 1 2 345.830 2.177 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@]23CCN(C2COC2)C3=O)cc1Cl ZINC001274492020 1205056928 /nfs/dbraw/zinc/05/69/28/1205056928.db2.gz DZVCFVXSLPIKAD-SFHVURJKSA-N 1 2 345.830 2.177 20 30 EEEDLO C=C(C)CN1CC[C@]2(CCN(c3nc(NC4CC4)c(C)c[nH+]3)C2)C1=O ZINC001274730652 1205146052 /nfs/dbraw/zinc/14/60/52/1205146052.db2.gz BIIOIDLDBAOSBM-LJQANCHMSA-N 1 2 341.459 2.364 20 30 EEEDLO C#CCN1CC2(CCC1=O)CC[NH+](Cc1cc(Cl)ncc1O)CC2 ZINC001274838851 1205181482 /nfs/dbraw/zinc/18/14/82/1205181482.db2.gz WTHXVSSPAAHJCT-UHFFFAOYSA-N 1 2 347.846 2.278 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC3(CCN3C(=O)NCC(F)(F)F)C2)cc1 ZINC001275828899 1205554023 /nfs/dbraw/zinc/55/40/23/1205554023.db2.gz LLIAWNSAXAIRFN-UHFFFAOYSA-N 1 2 338.333 2.090 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001095440199 1205758209 /nfs/dbraw/zinc/75/82/09/1205758209.db2.gz ABAACKVKUBFKDY-ZDUSSCGKSA-N 1 2 342.447 2.051 20 30 EEEDLO Cc1cc(N(C)CCCNC(=O)c2ccc(C#N)[nH]2)nc(C(C)C)[nH+]1 ZINC001095519620 1205853490 /nfs/dbraw/zinc/85/34/90/1205853490.db2.gz SWVDSNMWFQJKGK-UHFFFAOYSA-N 1 2 340.431 2.365 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cncn2C)CC1 ZINC001110982403 1206538250 /nfs/dbraw/zinc/53/82/50/1206538250.db2.gz VMPIDDZXUPPQEF-OIISXLGYSA-N 1 2 328.460 2.388 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cncn2C)CC1 ZINC001110982403 1206538252 /nfs/dbraw/zinc/53/82/52/1206538252.db2.gz VMPIDDZXUPPQEF-OIISXLGYSA-N 1 2 328.460 2.388 20 30 EEEDLO Cn1cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c(-c2ccc(C#N)cc2)n1 ZINC000777888855 1206549770 /nfs/dbraw/zinc/54/97/70/1206549770.db2.gz SHRFJMXICXICMU-IAGOWNOFSA-N 1 2 347.426 2.153 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccccc2N=S(C)(C)=O)C1 ZINC000931661232 1207435522 /nfs/dbraw/zinc/43/55/22/1207435522.db2.gz XCMJOKHJIJSYSO-CQSZACIVSA-N 1 2 348.472 2.265 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccc2N=S(C)(C)=O)C1 ZINC000931661232 1207435524 /nfs/dbraw/zinc/43/55/24/1207435524.db2.gz XCMJOKHJIJSYSO-CQSZACIVSA-N 1 2 348.472 2.265 20 30 EEEDLO C[C@H]1C[C@H](NC(=O)c2ccon2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947090832 1207693119 /nfs/dbraw/zinc/69/31/19/1207693119.db2.gz YQKJZZMMGJSVOK-BLLLJJGKSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@H]1C[C@H](NC(=O)c2ccon2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947090832 1207693120 /nfs/dbraw/zinc/69/31/20/1207693120.db2.gz YQKJZZMMGJSVOK-BLLLJJGKSA-N 1 2 342.374 2.468 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)[C@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1O ZINC001111196903 1208354006 /nfs/dbraw/zinc/35/40/06/1208354006.db2.gz YLSUWHFLVXIZLS-IKGGRYGDSA-N 1 2 346.475 2.012 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([C@@H](C)Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001111211642 1208371989 /nfs/dbraw/zinc/37/19/89/1208371989.db2.gz VVPJKXAONQULBW-CABCVRRESA-N 1 2 343.475 2.080 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([C@@H](C)Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001111211642 1208371991 /nfs/dbraw/zinc/37/19/91/1208371991.db2.gz VVPJKXAONQULBW-CABCVRRESA-N 1 2 343.475 2.080 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2CC)C1 ZINC000948522873 1209195304 /nfs/dbraw/zinc/19/53/04/1209195304.db2.gz RVOTZSBLLVKWEN-CABCVRRESA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](CC)C2)C1 ZINC000948538334 1209204368 /nfs/dbraw/zinc/20/43/68/1209204368.db2.gz HPOYMRFWCONORR-LSDHHAIUSA-N 1 2 344.459 2.052 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000948772808 1209365206 /nfs/dbraw/zinc/36/52/06/1209365206.db2.gz KCGIDBIVHNLLMT-UHFFFAOYSA-N 1 2 339.439 2.124 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cn(C)nc1C1CC1 ZINC000948923280 1209454756 /nfs/dbraw/zinc/45/47/56/1209454756.db2.gz FDCSUCZHQDWIHJ-IBGZPJMESA-N 1 2 348.450 2.260 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cn(C)nc1C1CC1 ZINC000948923280 1209454757 /nfs/dbraw/zinc/45/47/57/1209454757.db2.gz FDCSUCZHQDWIHJ-IBGZPJMESA-N 1 2 348.450 2.260 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccnc(OC)c1 ZINC000948931817 1209459303 /nfs/dbraw/zinc/45/93/03/1209459303.db2.gz BHHCXJVEGAGNPV-IBGZPJMESA-N 1 2 349.434 2.443 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccnc(OC)c1 ZINC000948931817 1209459304 /nfs/dbraw/zinc/45/93/04/1209459304.db2.gz BHHCXJVEGAGNPV-IBGZPJMESA-N 1 2 349.434 2.443 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnc2n1CCCC2 ZINC000948951306 1209470801 /nfs/dbraw/zinc/47/08/01/1209470801.db2.gz XJOIGGJYZQFLJS-SFHVURJKSA-N 1 2 348.450 2.182 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnc2n1CCCC2 ZINC000948951306 1209470802 /nfs/dbraw/zinc/47/08/02/1209470802.db2.gz XJOIGGJYZQFLJS-SFHVURJKSA-N 1 2 348.450 2.182 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C#C)cn1 ZINC000948978933 1209485848 /nfs/dbraw/zinc/48/58/48/1209485848.db2.gz POHZDLPIOWWQEU-FQEVSTJZSA-N 1 2 329.403 2.025 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(C#C)cn1 ZINC000948978933 1209485850 /nfs/dbraw/zinc/48/58/50/1209485850.db2.gz POHZDLPIOWWQEU-FQEVSTJZSA-N 1 2 329.403 2.025 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cccnc1N(C)C ZINC000948985826 1209490072 /nfs/dbraw/zinc/49/00/72/1209490072.db2.gz GHJLOMXWDDSADO-IBGZPJMESA-N 1 2 348.450 2.110 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cccnc1N(C)C ZINC000948985826 1209490074 /nfs/dbraw/zinc/49/00/74/1209490074.db2.gz GHJLOMXWDDSADO-IBGZPJMESA-N 1 2 348.450 2.110 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3nccc4ccccc43)CC2)C1 ZINC000949450859 1209692565 /nfs/dbraw/zinc/69/25/65/1209692565.db2.gz NIICJFHAOYPKJQ-UHFFFAOYSA-N 1 2 349.434 2.175 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3nccc4ccccc43)CC2)C1 ZINC000949450859 1209692567 /nfs/dbraw/zinc/69/25/67/1209692567.db2.gz NIICJFHAOYPKJQ-UHFFFAOYSA-N 1 2 349.434 2.175 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)c3ccc(C)s3)CC2)C1 ZINC000949509667 1209720114 /nfs/dbraw/zinc/72/01/14/1209720114.db2.gz VYNLKTVSURMVBY-MRXNPFEDSA-N 1 2 346.496 2.487 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)c3ccc(C)s3)CC2)C1 ZINC000949509667 1209720115 /nfs/dbraw/zinc/72/01/15/1209720115.db2.gz VYNLKTVSURMVBY-MRXNPFEDSA-N 1 2 346.496 2.487 20 30 EEEDLO C#CCCCC(=O)N1C[C@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@H]2C1 ZINC001111294492 1209860655 /nfs/dbraw/zinc/86/06/55/1209860655.db2.gz CBBVEUPQBSMXNT-CALCHBBNSA-N 1 2 338.455 2.361 20 30 EEEDLO C[C@H]1CC[C@@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000950023680 1209986252 /nfs/dbraw/zinc/98/62/52/1209986252.db2.gz VXCQJWJWZFBOTC-YJBOKZPZSA-N 1 2 327.428 2.160 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](Cc2ccc(C(=O)NC)cc2)CC1 ZINC000950032848 1209990643 /nfs/dbraw/zinc/99/06/43/1209990643.db2.gz CKYAXBKUXHRHFF-FQEVSTJZSA-N 1 2 343.471 2.293 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[NH+](Cc3ccc4nonc4c3)CC2)C1 ZINC000950383175 1210182683 /nfs/dbraw/zinc/18/26/83/1210182683.db2.gz VHXRQGIBRZDLTN-UHFFFAOYSA-N 1 2 326.400 2.223 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[NH+](Cc3ccc4c(c3)COC4)CC2)c1 ZINC000950407009 1210193894 /nfs/dbraw/zinc/19/38/94/1210193894.db2.gz VETCDOKEVBFMPY-UHFFFAOYSA-N 1 2 347.418 2.051 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cc(C)n([C@@H](C)C3CC3)n2)C1 ZINC000950692245 1210355852 /nfs/dbraw/zinc/35/58/52/1210355852.db2.gz HYEZVSCPVQZHGR-HNNXBMFYSA-N 1 2 328.460 2.332 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)c1csnn1 ZINC001015420431 1225232373 /nfs/dbraw/zinc/23/23/73/1225232373.db2.gz BBMIGFMQPSARNY-AWEZNQCLSA-N 1 2 346.843 2.047 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)c1csnn1 ZINC001015420431 1225232380 /nfs/dbraw/zinc/23/23/80/1225232380.db2.gz BBMIGFMQPSARNY-AWEZNQCLSA-N 1 2 346.843 2.047 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCN2C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000951967886 1211138494 /nfs/dbraw/zinc/13/84/94/1211138494.db2.gz MBEYEBRSMLNRET-WBVHZDCISA-N 1 2 344.459 2.298 20 30 EEEDLO CCn1ccnc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001007238703 1211636026 /nfs/dbraw/zinc/63/60/26/1211636026.db2.gz XNLJASIPBKXRLC-KRWDZBQOSA-N 1 2 337.427 2.169 20 30 EEEDLO CCn1ccnc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001007238703 1211636029 /nfs/dbraw/zinc/63/60/29/1211636029.db2.gz XNLJASIPBKXRLC-KRWDZBQOSA-N 1 2 337.427 2.169 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000953388828 1211791350 /nfs/dbraw/zinc/79/13/50/1211791350.db2.gz VFPSMHNLHKTTBG-GOEBONIOSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000954198599 1211985231 /nfs/dbraw/zinc/98/52/31/1211985231.db2.gz IGUYWBWQLPTKPA-UHFFFAOYSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001015550918 1225389793 /nfs/dbraw/zinc/38/97/93/1225389793.db2.gz UZBXERWPTDVGPS-GDBMZVCRSA-N 1 2 344.459 2.100 20 30 EEEDLO CCn1nccc1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001007195394 1213882947 /nfs/dbraw/zinc/88/29/47/1213882947.db2.gz NZZHESJUCMMNPQ-GOSISDBHSA-N 1 2 336.439 2.149 20 30 EEEDLO CCn1nccc1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001007195394 1213882955 /nfs/dbraw/zinc/88/29/55/1213882955.db2.gz NZZHESJUCMMNPQ-GOSISDBHSA-N 1 2 336.439 2.149 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001015678154 1225541459 /nfs/dbraw/zinc/54/14/59/1225541459.db2.gz CIINCZZRRKWEFV-OAHLLOKOSA-N 1 2 336.420 2.000 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001015678154 1225541465 /nfs/dbraw/zinc/54/14/65/1225541465.db2.gz CIINCZZRRKWEFV-OAHLLOKOSA-N 1 2 336.420 2.000 20 30 EEEDLO C=CCOCCCC(=O)N1C[C@H](CNc2cc[nH+]c(C)n2)C[C@H]1C ZINC001114682622 1214899149 /nfs/dbraw/zinc/89/91/49/1214899149.db2.gz ZWNULVVGGOGDHT-ZBFHGGJFSA-N 1 2 332.448 2.417 20 30 EEEDLO C=C/C(C)=C\CC(=O)NC1[C@H]2C[N@H+](CC(=C)Br)C[C@@H]12 ZINC001114707886 1215057914 /nfs/dbraw/zinc/05/79/14/1215057914.db2.gz RBLHABKNAQLDDX-SEACUGGUSA-N 1 2 325.250 2.464 20 30 EEEDLO C=C/C(C)=C\CC(=O)NC1[C@H]2C[N@@H+](CC(=C)Br)C[C@@H]12 ZINC001114707886 1215057917 /nfs/dbraw/zinc/05/79/17/1215057917.db2.gz RBLHABKNAQLDDX-SEACUGGUSA-N 1 2 325.250 2.464 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nnc(C4CC4)o3)C[C@H]21 ZINC001114725982 1215116312 /nfs/dbraw/zinc/11/63/12/1215116312.db2.gz FLQRLMFPNGUABS-HVOFVXBASA-N 1 2 330.432 2.096 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C4CC4)o3)C[C@H]21 ZINC001114725982 1215116313 /nfs/dbraw/zinc/11/63/13/1215116313.db2.gz FLQRLMFPNGUABS-HVOFVXBASA-N 1 2 330.432 2.096 20 30 EEEDLO C=C1CCC(C(=O)N[C@]2(C)CCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC000957506098 1215172754 /nfs/dbraw/zinc/17/27/54/1215172754.db2.gz AMRBSHJGEVISSF-LJQANCHMSA-N 1 2 344.459 2.127 20 30 EEEDLO C=C(C)[C@H](CC(=O)N[C@H]1C[C@H](CNc2cc[nH+]c(C)n2)C1)OCC ZINC001114793137 1215308879 /nfs/dbraw/zinc/30/88/79/1215308879.db2.gz KZIIRJAVNNOLLT-JYJNAYRXSA-N 1 2 332.448 2.463 20 30 EEEDLO CC[N@@H+](Cc1noc(C2CC2)n1)CC1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000957687308 1215344698 /nfs/dbraw/zinc/34/46/98/1215344698.db2.gz JKRYLFLTZOILEZ-ZDUSSCGKSA-N 1 2 345.447 2.167 20 30 EEEDLO CC[N@H+](Cc1noc(C2CC2)n1)CC1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000957687308 1215344701 /nfs/dbraw/zinc/34/47/01/1215344701.db2.gz JKRYLFLTZOILEZ-ZDUSSCGKSA-N 1 2 345.447 2.167 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001015722213 1225594583 /nfs/dbraw/zinc/59/45/83/1225594583.db2.gz WKDUBHRVOUNYCF-UXLLHSPISA-N 1 2 336.382 2.246 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001015722213 1225594586 /nfs/dbraw/zinc/59/45/86/1225594586.db2.gz WKDUBHRVOUNYCF-UXLLHSPISA-N 1 2 336.382 2.246 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ncsc2C(C)C)C1 ZINC000958584571 1215781823 /nfs/dbraw/zinc/78/18/23/1215781823.db2.gz RESWRSJYDDYJHY-NEPJUHHUSA-N 1 2 343.880 2.042 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ncsc2C(C)C)C1 ZINC000958584571 1215781826 /nfs/dbraw/zinc/78/18/26/1215781826.db2.gz RESWRSJYDDYJHY-NEPJUHHUSA-N 1 2 343.880 2.042 20 30 EEEDLO CCc1cnc(C[N@H+](C)C[C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)o1 ZINC000960571971 1216694934 /nfs/dbraw/zinc/69/49/34/1216694934.db2.gz VCHQQPFCPIFMCC-OAHLLOKOSA-N 1 2 341.415 2.173 20 30 EEEDLO CCc1cnc(C[N@@H+](C)C[C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)o1 ZINC000960571971 1216694937 /nfs/dbraw/zinc/69/49/37/1216694937.db2.gz VCHQQPFCPIFMCC-OAHLLOKOSA-N 1 2 341.415 2.173 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2cc(C)on2)cn1 ZINC000960974950 1216995694 /nfs/dbraw/zinc/99/56/94/1216995694.db2.gz DFVKLGQOIDTMJP-SFHVURJKSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2cc(C)on2)cn1 ZINC000960974950 1216995695 /nfs/dbraw/zinc/99/56/95/1216995695.db2.gz DFVKLGQOIDTMJP-SFHVURJKSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2nocc2C)nc1 ZINC000960975479 1216995977 /nfs/dbraw/zinc/99/59/77/1216995977.db2.gz GIBGYWDBUKFZSN-INIZCTEOSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2nocc2C)nc1 ZINC000960975479 1216995979 /nfs/dbraw/zinc/99/59/79/1216995979.db2.gz GIBGYWDBUKFZSN-INIZCTEOSA-N 1 2 338.411 2.096 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC000963544409 1217858969 /nfs/dbraw/zinc/85/89/69/1217858969.db2.gz VZBSMVYFELSQSN-FRQCXROJSA-N 1 2 344.459 2.077 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000963861128 1218083792 /nfs/dbraw/zinc/08/37/92/1218083792.db2.gz FZFMSMNCZGLRFG-ZSZQSSIHSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC2(C[C@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000964967158 1218766557 /nfs/dbraw/zinc/76/65/57/1218766557.db2.gz ARYPBCPRRCPIBI-RDTXWAMCSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC000965238473 1218979885 /nfs/dbraw/zinc/97/98/85/1218979885.db2.gz ULUBGGCAUIXMGW-INIZCTEOSA-N 1 2 344.459 2.196 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cnns1 ZINC000965395549 1219053217 /nfs/dbraw/zinc/05/32/17/1219053217.db2.gz PZWSHJTXJFNVGY-SWLSCSKDSA-N 1 2 341.440 2.050 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cnns1 ZINC000965395549 1219053219 /nfs/dbraw/zinc/05/32/19/1219053219.db2.gz PZWSHJTXJFNVGY-SWLSCSKDSA-N 1 2 341.440 2.050 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)s1 ZINC000965899150 1219337918 /nfs/dbraw/zinc/33/79/18/1219337918.db2.gz DZTGKXIMDIVIMM-XHDPSFHLSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)s1 ZINC000965899150 1219337922 /nfs/dbraw/zinc/33/79/22/1219337922.db2.gz DZTGKXIMDIVIMM-XHDPSFHLSA-N 1 2 343.456 2.292 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000965901039 1219339539 /nfs/dbraw/zinc/33/95/39/1219339539.db2.gz OETLEEUHSLPFPZ-SJKOYZFVSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000965901039 1219339541 /nfs/dbraw/zinc/33/95/41/1219339541.db2.gz OETLEEUHSLPFPZ-SJKOYZFVSA-N 1 2 341.390 2.061 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cn(C3CCC3)nn2)C1 ZINC000966166554 1219564372 /nfs/dbraw/zinc/56/43/72/1219564372.db2.gz KPJISWIFIKFANH-FZMZJTMJSA-N 1 2 337.855 2.196 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cn(C3CCC3)nn2)C1 ZINC000966166554 1219564376 /nfs/dbraw/zinc/56/43/76/1219564376.db2.gz KPJISWIFIKFANH-FZMZJTMJSA-N 1 2 337.855 2.196 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cnc3[nH]cnc3c2)C1 ZINC000966416921 1219736650 /nfs/dbraw/zinc/73/66/50/1219736650.db2.gz AIOQWDYOSNWQPW-IINYFYTJSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cnc3[nH]cnc3c2)C1 ZINC000966416921 1219736653 /nfs/dbraw/zinc/73/66/53/1219736653.db2.gz AIOQWDYOSNWQPW-IINYFYTJSA-N 1 2 333.823 2.151 20 30 EEEDLO CC[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1NCC#N ZINC001037903086 1220202636 /nfs/dbraw/zinc/20/26/36/1220202636.db2.gz WMGURSKFTBOKGB-MAUKXSAKSA-N 1 2 337.427 2.226 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cnc3c(c2)ncn3C)C1 ZINC000967699968 1220748498 /nfs/dbraw/zinc/74/84/98/1220748498.db2.gz FDQNHJFQDHVSIW-XHDPSFHLSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cnc3c(c2)ncn3C)C1 ZINC000967699968 1220748502 /nfs/dbraw/zinc/74/85/02/1220748502.db2.gz FDQNHJFQDHVSIW-XHDPSFHLSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000968369266 1221246530 /nfs/dbraw/zinc/24/65/30/1221246530.db2.gz HSBVJMJLVYGEJE-ZUZCIYMTSA-N 1 2 348.834 2.461 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000968369266 1221246532 /nfs/dbraw/zinc/24/65/32/1221246532.db2.gz HSBVJMJLVYGEJE-ZUZCIYMTSA-N 1 2 348.834 2.461 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3cccnc3)C2)ccc1F ZINC001006543333 1221829957 /nfs/dbraw/zinc/82/99/57/1221829957.db2.gz MKJAFKYOYKJTNC-KRWDZBQOSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)c3cccnc3)C2)ccc1F ZINC001006543333 1221829960 /nfs/dbraw/zinc/82/99/60/1221829960.db2.gz MKJAFKYOYKJTNC-KRWDZBQOSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccccn3)C2)s1 ZINC001006576267 1221843158 /nfs/dbraw/zinc/84/31/58/1221843158.db2.gz CMTSEJTYKIFTNL-CYBMUJFWSA-N 1 2 326.425 2.409 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccn3)C2)s1 ZINC001006576267 1221843163 /nfs/dbraw/zinc/84/31/63/1221843163.db2.gz CMTSEJTYKIFTNL-CYBMUJFWSA-N 1 2 326.425 2.409 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C[C@@H]3CCCO3)C2)c(F)c1 ZINC001006820251 1221961770 /nfs/dbraw/zinc/96/17/70/1221961770.db2.gz IWACTHBIEANKDE-IRXDYDNUSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)C[C@@H]3CCCO3)C2)c(F)c1 ZINC001006820251 1221961775 /nfs/dbraw/zinc/96/17/75/1221961775.db2.gz IWACTHBIEANKDE-IRXDYDNUSA-N 1 2 345.418 2.347 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cn3ccccc3n2)C1 ZINC001007639318 1222338275 /nfs/dbraw/zinc/33/82/75/1222338275.db2.gz YTELYSFTZFYCTD-CQSZACIVSA-N 1 2 332.835 2.210 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cn3ccccc3n2)C1 ZINC001007639318 1222338280 /nfs/dbraw/zinc/33/82/80/1222338280.db2.gz YTELYSFTZFYCTD-CQSZACIVSA-N 1 2 332.835 2.210 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001007823496 1222441711 /nfs/dbraw/zinc/44/17/11/1222441711.db2.gz MKSKDCIGUVBAGI-QGZVFWFLSA-N 1 2 349.862 2.269 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001007823496 1222441714 /nfs/dbraw/zinc/44/17/14/1222441714.db2.gz MKSKDCIGUVBAGI-QGZVFWFLSA-N 1 2 349.862 2.269 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001008386403 1222801933 /nfs/dbraw/zinc/80/19/33/1222801933.db2.gz QCUNLFUTKXWWPV-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001008386403 1222801937 /nfs/dbraw/zinc/80/19/37/1222801937.db2.gz QCUNLFUTKXWWPV-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC001008558549 1222926012 /nfs/dbraw/zinc/92/60/12/1222926012.db2.gz KCLUQSYVJCREKV-UXLLHSPISA-N 1 2 349.862 2.407 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC001008558549 1222926016 /nfs/dbraw/zinc/92/60/16/1222926016.db2.gz KCLUQSYVJCREKV-UXLLHSPISA-N 1 2 349.862 2.407 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001008579450 1222940561 /nfs/dbraw/zinc/94/05/61/1222940561.db2.gz CRBAJHIBZVMILC-INMHGKMJSA-N 1 2 349.500 2.432 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2nc(C)sc2C)C1 ZINC001008579450 1222940564 /nfs/dbraw/zinc/94/05/64/1222940564.db2.gz CRBAJHIBZVMILC-INMHGKMJSA-N 1 2 349.500 2.432 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)c3cnc(C)cn3)C2)cn1 ZINC001009276540 1223196783 /nfs/dbraw/zinc/19/67/83/1223196783.db2.gz OUYLWPGLWOIARL-YJBOKZPZSA-N 1 2 349.438 2.117 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)c3cnc(C)cn3)C2)cn1 ZINC001009276540 1223196785 /nfs/dbraw/zinc/19/67/85/1223196785.db2.gz OUYLWPGLWOIARL-YJBOKZPZSA-N 1 2 349.438 2.117 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)[nH]n1 ZINC001010340211 1223670845 /nfs/dbraw/zinc/67/08/45/1223670845.db2.gz VOWVLWYRYVSKTR-MRXNPFEDSA-N 1 2 342.830 2.227 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)[nH]n1 ZINC001010340211 1223670848 /nfs/dbraw/zinc/67/08/48/1223670848.db2.gz VOWVLWYRYVSKTR-MRXNPFEDSA-N 1 2 342.830 2.227 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccncc3F)C2)s1 ZINC001010420233 1223712911 /nfs/dbraw/zinc/71/29/11/1223712911.db2.gz XOLKEZQHFFFGND-NSHDSACASA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccncc3F)C2)s1 ZINC001010420233 1223712914 /nfs/dbraw/zinc/71/29/14/1223712914.db2.gz XOLKEZQHFFFGND-NSHDSACASA-N 1 2 330.388 2.158 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001010770448 1223899376 /nfs/dbraw/zinc/89/93/76/1223899376.db2.gz MVMRGCUUXGMGOF-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001010770448 1223899378 /nfs/dbraw/zinc/89/93/78/1223899378.db2.gz MVMRGCUUXGMGOF-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)ns1 ZINC001010771870 1223899580 /nfs/dbraw/zinc/89/95/80/1223899580.db2.gz DPURVYPCKHVELM-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)ns1 ZINC001010771870 1223899581 /nfs/dbraw/zinc/89/95/81/1223899581.db2.gz DPURVYPCKHVELM-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001014435268 1226614028 /nfs/dbraw/zinc/61/40/28/1226614028.db2.gz NNSZUTBGXLOZQJ-SJORKVTESA-N 1 2 349.438 2.092 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001014435268 1226614031 /nfs/dbraw/zinc/61/40/31/1226614031.db2.gz NNSZUTBGXLOZQJ-SJORKVTESA-N 1 2 349.438 2.092 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001014503227 1226691972 /nfs/dbraw/zinc/69/19/72/1226691972.db2.gz PSIKDAUZJQVQPW-SLFFLAALSA-N 1 2 346.434 2.447 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001014503227 1226691979 /nfs/dbraw/zinc/69/19/79/1226691979.db2.gz PSIKDAUZJQVQPW-SLFFLAALSA-N 1 2 346.434 2.447 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001058261204 1248771524 /nfs/dbraw/zinc/77/15/24/1248771524.db2.gz KVMRDTHRGDPMJP-HNNXBMFYSA-N 1 2 325.416 2.171 20 30 EEEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc[nH]c1C(F)(F)F ZINC001017619896 1227577216 /nfs/dbraw/zinc/57/72/16/1227577216.db2.gz ZKSMSUWMJMRLOR-PHIMTYICSA-N 1 2 328.338 2.293 20 30 EEEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc[nH]c1C(F)(F)F ZINC001017619896 1227577218 /nfs/dbraw/zinc/57/72/18/1227577218.db2.gz ZKSMSUWMJMRLOR-PHIMTYICSA-N 1 2 328.338 2.293 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccc(OC)c(F)c1 ZINC001017730190 1227683819 /nfs/dbraw/zinc/68/38/19/1227683819.db2.gz NVVYPOAQHFLGNV-IYBDPMFKSA-N 1 2 330.403 2.075 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccc(OC)c(F)c1 ZINC001017730190 1227683822 /nfs/dbraw/zinc/68/38/22/1227683822.db2.gz NVVYPOAQHFLGNV-IYBDPMFKSA-N 1 2 330.403 2.075 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]([NH2+]Cc2nnc(C)o2)[C@@H](C)C1 ZINC001054682972 1248856465 /nfs/dbraw/zinc/85/64/65/1248856465.db2.gz YTOGWRYRXOFVGJ-CABZTGNLSA-N 1 2 326.828 2.093 20 30 EEEDLO C=C(Br)C[NH2+][C@H]1CCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC001019549216 1229180722 /nfs/dbraw/zinc/18/07/22/1229180722.db2.gz DROXWZANHHNWLE-NSHDSACASA-N 1 2 349.232 2.276 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC001038174761 1229677423 /nfs/dbraw/zinc/67/74/23/1229677423.db2.gz OPWVTYDSHYYVJE-JKSUJKDBSA-N 1 2 327.428 2.303 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC001038174761 1229677425 /nfs/dbraw/zinc/67/74/25/1229677425.db2.gz OPWVTYDSHYYVJE-JKSUJKDBSA-N 1 2 327.428 2.303 20 30 EEEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc([C@H]2CCCO2)s1 ZINC001039448527 1230616629 /nfs/dbraw/zinc/61/66/29/1230616629.db2.gz TYZBINRPOMNQQR-QLFBSQMISA-N 1 2 345.468 2.307 20 30 EEEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc([C@H]2CCCO2)s1 ZINC001039448527 1230616631 /nfs/dbraw/zinc/61/66/31/1230616631.db2.gz TYZBINRPOMNQQR-QLFBSQMISA-N 1 2 345.468 2.307 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1nncn1C)C2 ZINC001040322294 1231169399 /nfs/dbraw/zinc/16/93/99/1231169399.db2.gz JHMOIPNOFJKBGW-LJQANCHMSA-N 1 2 345.491 2.232 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1nncn1C)C2 ZINC001040322294 1231169400 /nfs/dbraw/zinc/16/94/00/1231169400.db2.gz JHMOIPNOFJKBGW-LJQANCHMSA-N 1 2 345.491 2.232 20 30 EEEDLO C[C@H](c1csnn1)[NH+]1CCC2(CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001040644151 1231325228 /nfs/dbraw/zinc/32/52/28/1231325228.db2.gz NDBQYPOTTWPEMG-QWHCGFSZSA-N 1 2 333.461 2.073 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc4n[nH]nc43)C2)C1 ZINC001041318924 1231504622 /nfs/dbraw/zinc/50/46/22/1231504622.db2.gz XFVNPJXGFOXZFP-QGZVFWFLSA-N 1 2 345.834 2.248 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc4n[nH]nc43)C2)C1 ZINC001041318924 1231504624 /nfs/dbraw/zinc/50/46/24/1231504624.db2.gz XFVNPJXGFOXZFP-QGZVFWFLSA-N 1 2 345.834 2.248 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc4nn[nH]c43)C2)C1 ZINC001041318924 1231504628 /nfs/dbraw/zinc/50/46/28/1231504628.db2.gz XFVNPJXGFOXZFP-QGZVFWFLSA-N 1 2 345.834 2.248 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc4nn[nH]c43)C2)C1 ZINC001041318924 1231504629 /nfs/dbraw/zinc/50/46/29/1231504629.db2.gz XFVNPJXGFOXZFP-QGZVFWFLSA-N 1 2 345.834 2.248 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@]2(CC[N@H+](Cc3nc(C)no3)C2)C1 ZINC001041626076 1231629428 /nfs/dbraw/zinc/62/94/28/1231629428.db2.gz PCRXVDUKAKRKOZ-MSOLQXFVSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@]2(CC[N@@H+](Cc3nc(C)no3)C2)C1 ZINC001041626076 1231629429 /nfs/dbraw/zinc/62/94/29/1231629429.db2.gz PCRXVDUKAKRKOZ-MSOLQXFVSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cn(CC)nn4)[C@H]3C2)C1 ZINC001042224017 1231966461 /nfs/dbraw/zinc/96/64/61/1231966461.db2.gz IHBSUQQVTQXIHL-WBVHZDCISA-N 1 2 343.475 2.077 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4cn(CC)nn4)[C@H]3C2)C1 ZINC001042224017 1231966462 /nfs/dbraw/zinc/96/64/62/1231966462.db2.gz IHBSUQQVTQXIHL-WBVHZDCISA-N 1 2 343.475 2.077 20 30 EEEDLO CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CN(Cc2ccccc2C#N)C1 ZINC001043839061 1232597812 /nfs/dbraw/zinc/59/78/12/1232597812.db2.gz MZLXIBXNCPPYHS-KRWDZBQOSA-N 1 2 349.438 2.044 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(OC)no2)C1 ZINC001095984791 1233033701 /nfs/dbraw/zinc/03/37/01/1233033701.db2.gz ROJWRARQIATXEM-SNPRPXQTSA-N 1 2 331.416 2.261 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(OC)no2)C1 ZINC001095984791 1233033710 /nfs/dbraw/zinc/03/37/10/1233033710.db2.gz ROJWRARQIATXEM-SNPRPXQTSA-N 1 2 331.416 2.261 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(CC)no1 ZINC001045070307 1233483683 /nfs/dbraw/zinc/48/36/83/1233483683.db2.gz BYPMLWLQZPDASI-AWEZNQCLSA-N 1 2 343.431 2.014 20 30 EEEDLO C=C[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1nnc(C)o1)c1ccccc1 ZINC001045319876 1233664962 /nfs/dbraw/zinc/66/49/62/1233664962.db2.gz KXYDLGKJPADAEV-DLBZAZTESA-N 1 2 340.427 2.428 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCCCO2)CC1 ZINC001045402686 1233722479 /nfs/dbraw/zinc/72/24/79/1233722479.db2.gz VZFJKYKERHEAHO-ZDUSSCGKSA-N 1 2 345.281 2.435 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2ccon2)CC1 ZINC001045442691 1233748118 /nfs/dbraw/zinc/74/81/18/1233748118.db2.gz MIPJGHXMXMILIQ-CVEARBPZSA-N 1 2 333.432 2.127 20 30 EEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000800342911 1234059367 /nfs/dbraw/zinc/05/93/67/1234059367.db2.gz YXUFARAEJGXTRX-GXTWGEPZSA-N 1 2 326.437 2.339 20 30 EEEDLO CC(C)(C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)C1CCCCC1 ZINC001046068211 1234401945 /nfs/dbraw/zinc/40/19/45/1234401945.db2.gz GVNFCNKPDHMOFE-SFHVURJKSA-N 1 2 346.519 2.335 20 30 EEEDLO C[C@]1(NC(=O)c2cocn2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046194929 1234540769 /nfs/dbraw/zinc/54/07/69/1234540769.db2.gz QTLPUVSFZRWFQK-KRWDZBQOSA-N 1 2 328.347 2.080 20 30 EEEDLO C[C@]1(NC(=O)c2cocn2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046194929 1234540772 /nfs/dbraw/zinc/54/07/72/1234540772.db2.gz QTLPUVSFZRWFQK-KRWDZBQOSA-N 1 2 328.347 2.080 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001046240844 1234586431 /nfs/dbraw/zinc/58/64/31/1234586431.db2.gz VCLSGCGZFOBAFL-GOSISDBHSA-N 1 2 340.431 2.058 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001046240844 1234586433 /nfs/dbraw/zinc/58/64/33/1234586433.db2.gz VCLSGCGZFOBAFL-GOSISDBHSA-N 1 2 340.431 2.058 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)s1 ZINC001046248727 1234593784 /nfs/dbraw/zinc/59/37/84/1234593784.db2.gz RGGIKYTWDXZVIU-MRXNPFEDSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)s1 ZINC001046248727 1234593787 /nfs/dbraw/zinc/59/37/87/1234593787.db2.gz RGGIKYTWDXZVIU-MRXNPFEDSA-N 1 2 329.429 2.046 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)C2CCC(O)CC2)C1 ZINC001046271999 1234615549 /nfs/dbraw/zinc/61/55/49/1234615549.db2.gz VORUGGMHJKVKMG-SSDMNJCBSA-N 1 2 345.281 2.027 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)C2CCC(O)CC2)C1 ZINC001046271999 1234615551 /nfs/dbraw/zinc/61/55/51/1234615551.db2.gz VORUGGMHJKVKMG-SSDMNJCBSA-N 1 2 345.281 2.027 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@]1(C)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046312414 1234656597 /nfs/dbraw/zinc/65/65/97/1234656597.db2.gz UEADDZMUXYJVQT-GOSISDBHSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046312414 1234656599 /nfs/dbraw/zinc/65/65/99/1234656599.db2.gz UEADDZMUXYJVQT-GOSISDBHSA-N 1 2 341.390 2.123 20 30 EEEDLO COC1CC(C(=O)N[C@]2(C)CC[N@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001046400936 1234757507 /nfs/dbraw/zinc/75/75/07/1234757507.db2.gz SFGOKEJUHJOPMW-ITXXBFQVSA-N 1 2 345.418 2.203 20 30 EEEDLO COC1CC(C(=O)N[C@]2(C)CC[N@@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001046400936 1234757511 /nfs/dbraw/zinc/75/75/11/1234757511.db2.gz SFGOKEJUHJOPMW-ITXXBFQVSA-N 1 2 345.418 2.203 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001046461384 1234828986 /nfs/dbraw/zinc/82/89/86/1234828986.db2.gz UUCNOMVNEHSGIM-GOSISDBHSA-N 1 2 349.862 2.269 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001046461384 1234828987 /nfs/dbraw/zinc/82/89/87/1234828987.db2.gz UUCNOMVNEHSGIM-GOSISDBHSA-N 1 2 349.862 2.269 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)c2[nH]c(C)nc2C)C1 ZINC001046626251 1235009175 /nfs/dbraw/zinc/00/91/75/1235009175.db2.gz BUPLCMRRZCYULH-AWEZNQCLSA-N 1 2 341.253 2.129 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)c2[nH]c(C)nc2C)C1 ZINC001046626251 1235009172 /nfs/dbraw/zinc/00/91/72/1235009172.db2.gz BUPLCMRRZCYULH-AWEZNQCLSA-N 1 2 341.253 2.129 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C3CC3)[nH]c1=O)C2 ZINC001096119083 1235048349 /nfs/dbraw/zinc/04/83/49/1235048349.db2.gz BLOCJCKCKJQUOE-XBFCOCLRSA-N 1 2 348.834 2.147 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C3CC3)[nH]c1=O)C2 ZINC001096119083 1235048352 /nfs/dbraw/zinc/04/83/52/1235048352.db2.gz BLOCJCKCKJQUOE-XBFCOCLRSA-N 1 2 348.834 2.147 20 30 EEEDLO C=CCCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001067711809 1249415666 /nfs/dbraw/zinc/41/56/66/1249415666.db2.gz IWPUQHJFOQZXJT-HUUCEWRRSA-N 1 2 332.448 2.176 20 30 EEEDLO C=CCCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001067711809 1249415670 /nfs/dbraw/zinc/41/56/70/1249415670.db2.gz IWPUQHJFOQZXJT-HUUCEWRRSA-N 1 2 332.448 2.176 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(NC(N)=O)cc2)C1 ZINC001046815788 1235213762 /nfs/dbraw/zinc/21/37/62/1235213762.db2.gz CBAGTDCHZXABCN-MRXNPFEDSA-N 1 2 336.823 2.124 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(NC(N)=O)cc2)C1 ZINC001046815788 1235213765 /nfs/dbraw/zinc/21/37/65/1235213765.db2.gz CBAGTDCHZXABCN-MRXNPFEDSA-N 1 2 336.823 2.124 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001046881846 1235279633 /nfs/dbraw/zinc/27/96/33/1235279633.db2.gz XGTOKEHICPPLRS-QGZVFWFLSA-N 1 2 348.834 2.226 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC001046881846 1235279636 /nfs/dbraw/zinc/27/96/36/1235279636.db2.gz XGTOKEHICPPLRS-QGZVFWFLSA-N 1 2 348.834 2.226 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2nccn2CC)C1 ZINC001046933228 1235324653 /nfs/dbraw/zinc/32/46/53/1235324653.db2.gz BRALSLYRHPPZAX-GFCCVEGCSA-N 1 2 346.809 2.343 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2nccn2CC)C1 ZINC001046933228 1235324656 /nfs/dbraw/zinc/32/46/56/1235324656.db2.gz BRALSLYRHPPZAX-GFCCVEGCSA-N 1 2 346.809 2.343 20 30 EEEDLO C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2[nH]nc3c2CCC3)C1 ZINC001046953809 1235350791 /nfs/dbraw/zinc/35/07/91/1235350791.db2.gz KUFHYFPCTUTKTB-LBPRGKRZSA-N 1 2 338.402 2.162 20 30 EEEDLO C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2[nH]nc3c2CCC3)C1 ZINC001046953809 1235350793 /nfs/dbraw/zinc/35/07/93/1235350793.db2.gz KUFHYFPCTUTKTB-LBPRGKRZSA-N 1 2 338.402 2.162 20 30 EEEDLO CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C\c2c[nH+]cn2C)cc1 ZINC000901428177 1235782708 /nfs/dbraw/zinc/78/27/08/1235782708.db2.gz HXWSQGROIGUQSX-FLIBITNWSA-N 1 2 347.440 2.347 20 30 EEEDLO CN(C(=O)CC1CCCC1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047289617 1235816143 /nfs/dbraw/zinc/81/61/43/1235816143.db2.gz GRTNBBGUFFYLMB-PMACEKPBSA-N 1 2 340.467 2.122 20 30 EEEDLO CN(C(=O)CC1CCCC1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047289617 1235816146 /nfs/dbraw/zinc/81/61/46/1235816146.db2.gz GRTNBBGUFFYLMB-PMACEKPBSA-N 1 2 340.467 2.122 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2cnns2)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC001071366040 1235825709 /nfs/dbraw/zinc/82/57/09/1235825709.db2.gz IVWUVZSCVDRNHE-SWLSCSKDSA-N 1 2 341.440 2.193 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2cnns2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001071366040 1235825711 /nfs/dbraw/zinc/82/57/11/1235825711.db2.gz IVWUVZSCVDRNHE-SWLSCSKDSA-N 1 2 341.440 2.193 20 30 EEEDLO C[C@@H](C(=O)N(C)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O)C1CCC1 ZINC001047424426 1235999013 /nfs/dbraw/zinc/99/90/13/1235999013.db2.gz KPOUQGQIGXLGDK-DQYPLSBCSA-N 1 2 347.484 2.059 20 30 EEEDLO C[C@@H](C(=O)N(C)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O)C1CCC1 ZINC001047424426 1235999016 /nfs/dbraw/zinc/99/90/16/1235999016.db2.gz KPOUQGQIGXLGDK-DQYPLSBCSA-N 1 2 347.484 2.059 20 30 EEEDLO CN(C(=O)C(C)(C)C1CC1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047493868 1236103123 /nfs/dbraw/zinc/10/31/23/1236103123.db2.gz ZJCUXKKDNKKSGY-HOTGVXAUSA-N 1 2 347.484 2.059 20 30 EEEDLO CN(C(=O)C(C)(C)C1CC1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047493868 1236103128 /nfs/dbraw/zinc/10/31/28/1236103128.db2.gz ZJCUXKKDNKKSGY-HOTGVXAUSA-N 1 2 347.484 2.059 20 30 EEEDLO CCCCCCC(=O)NCC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC001096281558 1237084962 /nfs/dbraw/zinc/08/49/62/1237084962.db2.gz BUMUBWAXUNHZSL-UHFFFAOYSA-N 1 2 343.475 2.162 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)O[C@@H]2CC[N@@H+](CCF)C2)cc1 ZINC000802238145 1237150101 /nfs/dbraw/zinc/15/01/01/1237150101.db2.gz FXSZHPARCVEVLC-SJORKVTESA-N 1 2 331.391 2.114 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)O[C@@H]2CC[N@H+](CCF)C2)cc1 ZINC000802238145 1237150103 /nfs/dbraw/zinc/15/01/03/1237150103.db2.gz FXSZHPARCVEVLC-SJORKVTESA-N 1 2 331.391 2.114 20 30 EEEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000902939496 1239136031 /nfs/dbraw/zinc/13/60/31/1239136031.db2.gz GYIWZLWDKWIWET-OAHLLOKOSA-N 1 2 347.463 2.347 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001056481171 1239402669 /nfs/dbraw/zinc/40/26/69/1239402669.db2.gz FTQKUIHLSSGCST-SJORKVTESA-N 1 2 344.459 2.221 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056520310 1239427627 /nfs/dbraw/zinc/42/76/27/1239427627.db2.gz DUWMCIQEIIFCBJ-DJIMGWMZSA-N 1 2 344.459 2.146 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056575009 1239443418 /nfs/dbraw/zinc/44/34/18/1239443418.db2.gz VTRIRVIICFLFIL-DJIMGWMZSA-N 1 2 344.459 2.146 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001056796485 1239795878 /nfs/dbraw/zinc/79/58/78/1239795878.db2.gz SOJXCXNOKSUZJI-CHWSQXEVSA-N 1 2 341.390 2.312 20 30 EEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001056796485 1239795884 /nfs/dbraw/zinc/79/58/84/1239795884.db2.gz SOJXCXNOKSUZJI-CHWSQXEVSA-N 1 2 341.390 2.312 20 30 EEEDLO C=CCCC(=O)NCCN(Cc1ccccc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001055110436 1249775619 /nfs/dbraw/zinc/77/56/19/1249775619.db2.gz KBWBGZHHNNXZJZ-UHFFFAOYSA-N 1 2 340.427 2.063 20 30 EEEDLO 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C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(CC)cc3)C[C@@H]21 ZINC001074398158 1256982842 /nfs/dbraw/zinc/98/28/42/1256982842.db2.gz TXPUIFRGFISCIX-RBUKOAKNSA-N 1 2 326.440 2.188 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)C[C@@H]21 ZINC001074415365 1256999814 /nfs/dbraw/zinc/99/98/14/1256999814.db2.gz PSKYRNGIGVITAW-QMGHHKNQSA-N 1 2 330.472 2.156 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)C[C@@H]21 ZINC001074415365 1256999817 /nfs/dbraw/zinc/99/98/17/1256999817.db2.gz PSKYRNGIGVITAW-QMGHHKNQSA-N 1 2 330.472 2.156 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001074994641 1257244360 /nfs/dbraw/zinc/24/43/60/1257244360.db2.gz GBZJOSGKTLVFEU-LSDHHAIUSA-N 1 2 346.475 2.061 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001075006386 1257253327 /nfs/dbraw/zinc/25/33/27/1257253327.db2.gz LAJQAXANRMYLTO-NVXWUHKLSA-N 1 2 344.459 2.147 20 30 EEEDLO 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C=C(Br)C[NH+]1CCC(NC(=O)[C@@H](C)[C@H](C)COC)CC1 ZINC001227727215 1301943328 /nfs/dbraw/zinc/94/33/28/1301943328.db2.gz MDPLEPXALBJDFK-YPMHNXCESA-N 1 2 347.297 2.394 20 30 EEEDLO COc1cccc(F)c1C[N@@H+]1CC[C@@H]2C[C@@]21C(=O)N1CC(CC#N)C1 ZINC001277295497 1302235961 /nfs/dbraw/zinc/23/59/61/1302235961.db2.gz ODWLKNTZXOKFJW-KUHUBIRLSA-N 1 2 343.402 2.171 20 30 EEEDLO COc1cccc(F)c1C[N@H+]1CC[C@@H]2C[C@@]21C(=O)N1CC(CC#N)C1 ZINC001277295497 1302235968 /nfs/dbraw/zinc/23/59/68/1302235968.db2.gz ODWLKNTZXOKFJW-KUHUBIRLSA-N 1 2 343.402 2.171 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NC1CC[NH+](Cc2nccs2)CC1 ZINC001228466422 1302273449 /nfs/dbraw/zinc/27/34/49/1302273449.db2.gz JTNHWCACEKUXNP-KRWDZBQOSA-N 1 2 337.489 2.453 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NC1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC001228482237 1302281719 /nfs/dbraw/zinc/28/17/19/1302281719.db2.gz ATOUGAQFCIKDDM-HNAYVOBHSA-N 1 2 346.475 2.347 20 30 EEEDLO CC[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)Nc1snc(C)c1C#N ZINC001103327990 1302745278 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NXTZRXCBTGQHAG-QGZVFWFLSA-N 1 2 330.428 2.082 20 30 EEEDLO C#Cc1cccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c1 ZINC001231655433 1303881648 /nfs/dbraw/zinc/88/16/48/1303881648.db2.gz NXTZRXCBTGQHAG-QGZVFWFLSA-N 1 2 330.428 2.082 20 30 EEEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc(COC)o1)CC2 ZINC001231692241 1303894573 /nfs/dbraw/zinc/89/45/73/1303894573.db2.gz VQRSUXGFEGNOGW-UHFFFAOYSA-N 1 2 331.416 2.420 20 30 EEEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc(COC)o1)CC2 ZINC001231692241 1303894576 /nfs/dbraw/zinc/89/45/76/1303894576.db2.gz VQRSUXGFEGNOGW-UHFFFAOYSA-N 1 2 331.416 2.420 20 30 EEEDLO CC(C)(C)c1cc(C[NH+]2CCN(c3nccnc3C#N)CC2)ccn1 ZINC001232217442 1304041185 /nfs/dbraw/zinc/04/11/85/1304041185.db2.gz JVRZSIUXBYDFLT-UHFFFAOYSA-N 1 2 336.443 2.363 20 30 EEEDLO C=CCCC1(C(=O)N2CCO[C@H](CNc3cc[nH+]c(C)n3)C2)CC1 ZINC001111961857 1304111927 /nfs/dbraw/zinc/11/19/27/1304111927.db2.gz JBCGGOIFAFQZLK-OAHLLOKOSA-N 1 2 330.432 2.171 20 30 EEEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(N2CCOCC2=O)CC1 ZINC001232608580 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EEEDLO CCn1cc2c(n1)C[N@H+](Cc1ccc(C#N)cc1O)C[C@@H]2COC ZINC001233384374 1304451332 /nfs/dbraw/zinc/45/13/32/1304451332.db2.gz SXPQHGOXUNVBQB-OAHLLOKOSA-N 1 2 326.400 2.226 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CN(C)C(=O)C(C)=C2CCCC2)C1=O ZINC001233590318 1304525793 /nfs/dbraw/zinc/52/57/93/1304525793.db2.gz MVYMVXGRHFBCQD-MSOLQXFVSA-N 1 2 345.487 2.197 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CN(C)C(=O)C(C)=C2CCCC2)C1=O ZINC001233590318 1304525801 /nfs/dbraw/zinc/52/58/01/1304525801.db2.gz MVYMVXGRHFBCQD-MSOLQXFVSA-N 1 2 345.487 2.197 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)Cc1cccnc1 ZINC001233707173 1304563800 /nfs/dbraw/zinc/56/38/00/1304563800.db2.gz RHGLWMRFFFBHLC-LJQANCHMSA-N 1 2 334.423 2.229 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)Cc1cccnc1 ZINC001233707173 1304563804 /nfs/dbraw/zinc/56/38/04/1304563804.db2.gz RHGLWMRFFFBHLC-LJQANCHMSA-N 1 2 334.423 2.229 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC(C)(C)CC ZINC001233763175 1304583656 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20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnnn2C)CC1 ZINC001161116562 1320391635 /nfs/dbraw/zinc/39/16/35/1320391635.db2.gz LZYZMNPCDCTXCW-KSSFIOAISA-N 1 2 346.479 2.012 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnnn2C)CC1 ZINC001161116562 1320391641 /nfs/dbraw/zinc/39/16/41/1320391641.db2.gz LZYZMNPCDCTXCW-KSSFIOAISA-N 1 2 346.479 2.012 20 30 EEEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCCN(c4ccc(C#N)cn4)CC3)c12 ZINC001166844181 1321799316 /nfs/dbraw/zinc/79/93/16/1321799316.db2.gz TXFXXHJONJWVJV-UHFFFAOYSA-N 1 2 343.394 2.418 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2nc3ccc(F)cc3o2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206952740 1323738747 /nfs/dbraw/zinc/73/87/47/1323738747.db2.gz CIIKVKASTXEHSY-MLGOLLRUSA-N 1 2 341.386 2.317 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2nc3ccc(F)cc3o2)C[C@H]1NC(=O)C#CC1CC1 ZINC001206952740 1323738748 /nfs/dbraw/zinc/73/87/48/1323738748.db2.gz CIIKVKASTXEHSY-MLGOLLRUSA-N 1 2 341.386 2.317 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cc5ncccc5[nH]4)C3)C2)cc1C#N ZINC001279458902 1323908137 /nfs/dbraw/zinc/90/81/37/1323908137.db2.gz MWCKQZRHDPBKLV-UHFFFAOYSA-N 1 2 346.438 2.091 20 30 EEEDLO Cn1cc(CN2CC3(C2)C[NH+](Cc2cc4ncccc4[nH]2)C3)cc1C#N ZINC001279458902 1323908142 /nfs/dbraw/zinc/90/81/42/1323908142.db2.gz MWCKQZRHDPBKLV-UHFFFAOYSA-N 1 2 346.438 2.091 20 30 EEEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2nocc2C)C[C@H]1C)OCC ZINC001207262888 1323918953 /nfs/dbraw/zinc/91/89/53/1323918953.db2.gz LBIWRWORXUGLQO-UNEWFSDZSA-N 1 2 335.448 2.291 20 30 EEEDLO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2nocc2C)C[C@H]1C)OCC ZINC001207262888 1323918955 /nfs/dbraw/zinc/91/89/55/1323918955.db2.gz LBIWRWORXUGLQO-UNEWFSDZSA-N 1 2 335.448 2.291 20 30 EEEDLO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@@H](C)C(=O)NCCC)CCC1 ZINC001316603825 1324258245 /nfs/dbraw/zinc/25/82/45/1324258245.db2.gz KVEDTYKLFUEUSU-HOTGVXAUSA-N 1 2 335.492 2.180 20 30 EEEDLO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2[C@@H](C)C(=O)NCCC)CCC1 ZINC001316603825 1324258251 /nfs/dbraw/zinc/25/82/51/1324258251.db2.gz KVEDTYKLFUEUSU-HOTGVXAUSA-N 1 2 335.492 2.180 20 30 EEEDLO CC(C)C#CC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC001208005656 1324260006 /nfs/dbraw/zinc/26/00/06/1324260006.db2.gz LVCVQUTUTDPAQK-MRXNPFEDSA-N 1 2 344.459 2.467 20 30 EEEDLO CC(C)C#CC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC001208009424 1324261877 /nfs/dbraw/zinc/26/18/77/1324261877.db2.gz ZWDYCSZFUCGKQN-CQSZACIVSA-N 1 2 332.448 2.107 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)C[C@H]1C ZINC001208298069 1324405831 /nfs/dbraw/zinc/40/58/31/1324405831.db2.gz CNWDKEUAICLVMP-RHSMWYFYSA-N 1 2 330.476 2.368 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)C[C@H]1C ZINC001208298069 1324405836 /nfs/dbraw/zinc/40/58/36/1324405836.db2.gz CNWDKEUAICLVMP-RHSMWYFYSA-N 1 2 330.476 2.368 20 30 EEEDLO CC#CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2nc(CCC)no2)C1 ZINC001209145708 1324820878 /nfs/dbraw/zinc/82/08/78/1324820878.db2.gz GNESEMUKSQTZEK-OAHLLOKOSA-N 1 2 332.448 2.296 20 30 EEEDLO C=CCCCCCN1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001209425068 1324931113 /nfs/dbraw/zinc/93/11/13/1324931113.db2.gz YZORNVFORKPCJL-UHFFFAOYSA-N 1 2 331.508 2.193 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CCOC)C1 ZINC001209904498 1325093068 /nfs/dbraw/zinc/09/30/68/1325093068.db2.gz SZIQQUMAELDNMF-DGCLKSJQSA-N 1 2 347.297 2.394 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CCOC)C1 ZINC001209904498 1325093076 /nfs/dbraw/zinc/09/30/76/1325093076.db2.gz SZIQQUMAELDNMF-DGCLKSJQSA-N 1 2 347.297 2.394 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC001316939305 1332003138 /nfs/dbraw/zinc/00/31/38/1332003138.db2.gz GLMQSCSFJWQSTP-AEFFLSMTSA-N 1 2 341.455 2.339 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC001316939305 1332003139 /nfs/dbraw/zinc/00/31/39/1332003139.db2.gz GLMQSCSFJWQSTP-AEFFLSMTSA-N 1 2 341.455 2.339 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1ccc2cccnn21 ZINC001320057714 1332817230 /nfs/dbraw/zinc/81/72/30/1332817230.db2.gz IBWLHDRGZAZNRJ-UHFFFAOYSA-N 1 2 347.422 2.410 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1ccc2cccnn21 ZINC001320057714 1332817235 /nfs/dbraw/zinc/81/72/35/1332817235.db2.gz IBWLHDRGZAZNRJ-UHFFFAOYSA-N 1 2 347.422 2.410 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001346355244 1337483270 /nfs/dbraw/zinc/48/32/70/1337483270.db2.gz JBCMFZRBCGTMHF-HZPDHXFCSA-N 1 2 347.507 2.151 20 30 EEEDLO C=CCN(C)c1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1CC ZINC001356491736 1338826021 /nfs/dbraw/zinc/82/60/21/1338826021.db2.gz VORAORBAKXDOHS-KRWDZBQOSA-N 1 2 341.459 2.494 20 30 EEEDLO C=CCN(C)c1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1CC ZINC001356491736 1338826025 /nfs/dbraw/zinc/82/60/25/1338826025.db2.gz VORAORBAKXDOHS-KRWDZBQOSA-N 1 2 341.459 2.494 20 30 EEEDLO [NH3+][C@@H](CC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)C(F)F ZINC001580121449 1344476147 /nfs/dbraw/zinc/47/61/47/1344476147.db2.gz WSOXZWJQEMFUMR-REOHCLBHSA-N 1 2 340.224 2.113 20 30 EEEDLO C[NH+](C)Cc1cnc(C=CC(=O)c2ccccc2-c2nn[nH]n2)s1 ZINC001604692148 1350986025 /nfs/dbraw/zinc/98/60/25/1350986025.db2.gz OSHFRRVUBWOGQS-BQYQJAHWSA-N 1 2 340.412 2.281 20 30 EEEDLO Cc1nnc([C@@H]2CC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)[nH]1 ZINC001653915884 1354135626 /nfs/dbraw/zinc/13/56/26/1354135626.db2.gz UHBDGEXEPACIPE-CQSZACIVSA-N 1 2 335.371 2.024 20 30 EEEDLO Cc1nnc([C@@H]2CC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)[nH]1 ZINC001653915884 1354135629 /nfs/dbraw/zinc/13/56/29/1354135629.db2.gz UHBDGEXEPACIPE-CQSZACIVSA-N 1 2 335.371 2.024 20 30 EEEDLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)n1 ZINC001653915884 1354135633 /nfs/dbraw/zinc/13/56/33/1354135633.db2.gz UHBDGEXEPACIPE-CQSZACIVSA-N 1 2 335.371 2.024 20 30 EEEDLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)n1 ZINC001653915884 1354135636 /nfs/dbraw/zinc/13/56/36/1354135636.db2.gz UHBDGEXEPACIPE-CQSZACIVSA-N 1 2 335.371 2.024 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001110560346 1368789035 /nfs/dbraw/zinc/78/90/35/1368789035.db2.gz HYXUYZBIDDIYSS-KBPBESRZSA-N 1 2 342.447 2.369 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NC1(C)CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110574195 1368873070 /nfs/dbraw/zinc/87/30/70/1368873070.db2.gz XEFKRNXMEVCNHO-AWEZNQCLSA-N 1 2 332.448 2.241 20 30 EEEDLO C=CC[N@H+](CN1C(=O)C[C@H](Cc2ccccc2)C1=O)[C@H](C)COC ZINC000853533735 1369347786 /nfs/dbraw/zinc/34/77/86/1369347786.db2.gz BWLCRNGMZOKKBT-WBVHZDCISA-N 1 2 330.428 2.085 20 30 EEEDLO C=CC[N@@H+](CN1C(=O)C[C@H](Cc2ccccc2)C1=O)[C@H](C)COC ZINC000853533735 1369347800 /nfs/dbraw/zinc/34/78/00/1369347800.db2.gz BWLCRNGMZOKKBT-WBVHZDCISA-N 1 2 330.428 2.085 20 30 EEEDLO CN(c1ccccc1)[C@@H]1CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000853585287 1369355076 /nfs/dbraw/zinc/35/50/76/1369355076.db2.gz PRVSTLVFVUZNJN-GOSISDBHSA-N 1 2 348.450 2.377 20 30 EEEDLO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000853585287 1369355084 /nfs/dbraw/zinc/35/50/84/1369355084.db2.gz PRVSTLVFVUZNJN-GOSISDBHSA-N 1 2 348.450 2.377 20 30 EEEDLO Cc1cc(N2CCC(CNC(=O)[C@@H](C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC001095349570 1369665184 /nfs/dbraw/zinc/66/51/84/1369665184.db2.gz ZLTBVIJVDJHZFT-ZDUSSCGKSA-N 1 2 329.448 2.401 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC(CC)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001069514364 1370165443 /nfs/dbraw/zinc/16/54/43/1370165443.db2.gz LOKYYSNFBANDIP-UHFFFAOYSA-N 1 2 346.475 2.373 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001071261122 1370450977 /nfs/dbraw/zinc/45/09/77/1370450977.db2.gz MDXSUHVMMCZOJE-CRAIPNDOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001071261122 1370450981 /nfs/dbraw/zinc/45/09/81/1370450981.db2.gz MDXSUHVMMCZOJE-CRAIPNDOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2Cl)CC[C@@H]1C ZINC001071987777 1370594530 /nfs/dbraw/zinc/59/45/30/1370594530.db2.gz FSRLKWRCAMTTPF-QWRGUYRKSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2Cl)CC[C@@H]1C ZINC001071987777 1370594534 /nfs/dbraw/zinc/59/45/34/1370594534.db2.gz FSRLKWRCAMTTPF-QWRGUYRKSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCc2ccc(C(N)=O)cc2)C1 ZINC001389386090 1388091800 /nfs/dbraw/zinc/09/18/00/1388091800.db2.gz TUUWUKMSIOBNID-INIZCTEOSA-N 1 2 349.862 2.051 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCc2ccc(C(N)=O)cc2)C1 ZINC001389386090 1388091806 /nfs/dbraw/zinc/09/18/06/1388091806.db2.gz TUUWUKMSIOBNID-INIZCTEOSA-N 1 2 349.862 2.051 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCn2cc(Cl)cn2)C1 ZINC001389390125 1388093994 /nfs/dbraw/zinc/09/39/94/1388093994.db2.gz SYPJMDHNBGJLAG-CYBMUJFWSA-N 1 2 331.247 2.260 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCn2cc(Cl)cn2)C1 ZINC001389390125 1388094005 /nfs/dbraw/zinc/09/40/05/1388094005.db2.gz SYPJMDHNBGJLAG-CYBMUJFWSA-N 1 2 331.247 2.260 20 30 EEEDLO Cc1nc(N[C@H](C)CCNC(=O)C#CC2CC2)c2c([nH+]1)CCCC2 ZINC001099087860 1370994022 /nfs/dbraw/zinc/99/40/22/1370994022.db2.gz YECWWMUWBFSSEB-CYBMUJFWSA-N 1 2 326.444 2.384 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N(CC)C[C@H]1CCCO1 ZINC001121519595 1371891880 /nfs/dbraw/zinc/89/18/80/1371891880.db2.gz RPGPPFMUHBZCGO-MRXNPFEDSA-N 1 2 333.480 2.455 20 30 EEEDLO C=CCOCC(=O)N1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C[C@@H]1C ZINC001123212806 1372108753 /nfs/dbraw/zinc/10/87/53/1372108753.db2.gz HUMSOKPQEISEDA-DZGCQCFKSA-N 1 2 344.459 2.268 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H](Oc3ncc(OC)cn3)C2)c(C#N)c1 ZINC001137706747 1372255181 /nfs/dbraw/zinc/25/51/81/1372255181.db2.gz PEMTXAAYPXJKQO-INIZCTEOSA-N 1 2 340.383 2.019 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H](Oc3ncc(OC)cn3)C2)c(C#N)c1 ZINC001137706747 1372255185 /nfs/dbraw/zinc/25/51/85/1372255185.db2.gz PEMTXAAYPXJKQO-INIZCTEOSA-N 1 2 340.383 2.019 20 30 EEEDLO N#C[C@H]1CCCN(Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001139763939 1372525261 /nfs/dbraw/zinc/52/52/61/1372525261.db2.gz WDBIOZAXAWUUDP-GOSISDBHSA-N 1 2 329.444 2.133 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C=C)n2CC(=C)C)CC1 ZINC001343285574 1372954866 /nfs/dbraw/zinc/95/48/66/1372954866.db2.gz BCYHGVCKLSEHNH-UHFFFAOYSA-N 1 2 327.476 2.364 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH2+][C@@H](c2cccc(OC)c2)C1 ZINC001353779214 1373027668 /nfs/dbraw/zinc/02/76/68/1373027668.db2.gz ZKNMYUWAAOMBAP-MJGOQNOKSA-N 1 2 332.444 2.397 20 30 EEEDLO C=CCN(CC=C)c1nnc(C[NH+]2CCC(CO)CC2)n1CC(=C)C ZINC001356381196 1373198754 /nfs/dbraw/zinc/19/87/54/1373198754.db2.gz MJSXFLKPKMSIIW-UHFFFAOYSA-N 1 2 345.491 2.237 20 30 EEEDLO CC(C)[C@@H](O)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001370868204 1375088131 /nfs/dbraw/zinc/08/81/31/1375088131.db2.gz RWFDVNRPZRXDFG-FUHWJXTLSA-N 1 2 347.434 2.185 20 30 EEEDLO CC(C)[C@@H](O)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001370868204 1375088137 /nfs/dbraw/zinc/08/81/37/1375088137.db2.gz RWFDVNRPZRXDFG-FUHWJXTLSA-N 1 2 347.434 2.185 20 30 EEEDLO CCCCc1noc([C@@H](C)[NH2+]C[C@H](C)NC(=O)c2cc(C#N)c[nH]2)n1 ZINC001374874522 1377141676 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ZINC001731352100 1405841027 /nfs/dbraw/zinc/84/10/27/1405841027.db2.gz FYDYGDNOASXEQQ-QAPCUYQASA-N 1 2 332.419 2.183 20 30 EEEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc([C@H](C)OC)no1 ZINC001731545880 1405858713 /nfs/dbraw/zinc/85/87/13/1405858713.db2.gz OMULQCVJUYYXPZ-LSDHHAIUSA-N 1 2 348.447 2.051 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@H](C)c3nnc(CC)[nH]3)C[C@H]21 ZINC001755424427 1407441494 /nfs/dbraw/zinc/44/14/94/1407441494.db2.gz YVWBAOWLMDNKND-TUVASFSCSA-N 1 2 345.491 2.324 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3nnc(CC)[nH]3)C[C@H]21 ZINC001755424427 1407441508 /nfs/dbraw/zinc/44/15/08/1407441508.db2.gz YVWBAOWLMDNKND-TUVASFSCSA-N 1 2 345.491 2.324 20 30 EEEDLO Cc1nc([C@@H](C)[NH2+]C[C@H](C2CC2)N(C)C(=O)C#CC(C)(C)C)no1 ZINC001755570516 1407640695 /nfs/dbraw/zinc/64/06/95/1407640695.db2.gz CKUWGDUECWBSAR-IUODEOHRSA-N 1 2 332.448 2.315 20 30 EEEDLO C[C@H]1[C@H](NC(=O)C#CC2CC2)CCC[N@@H+]1Cc1cc(C2CC2)no1 ZINC001755717518 1407773735 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CCc1n[nH]cc1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000981527498 777589519 /nfs/dbraw/zinc/58/95/19/777589519.db2.gz GNGCANGKWQOXDX-UHFFFAOYSA-N 1 2 337.427 2.192 20 30 EEEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H](C)CCCC)CC2 ZINC001127990461 790565090 /nfs/dbraw/zinc/56/50/90/790565090.db2.gz FDZCZTPMINLLSV-JKSUJKDBSA-N 1 2 345.491 2.038 20 30 EEEDLO Cc1nocc1C(=O)NC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001028113841 777950579 /nfs/dbraw/zinc/95/05/79/777950579.db2.gz UNHULHOMODXDBD-KRWDZBQOSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1nocc1C(=O)NC[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001028113841 777950580 /nfs/dbraw/zinc/95/05/80/777950580.db2.gz UNHULHOMODXDBD-KRWDZBQOSA-N 1 2 341.386 2.368 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2Cc2csc(C)n2)c1 ZINC001028130207 778293843 /nfs/dbraw/zinc/29/38/43/778293843.db2.gz ZLTVFRIFUBZNID-QGZVFWFLSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2csc(C)n2)c1 ZINC001028130207 778293850 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CN(CCCN(C)c1cccc(F)c1C#N)C(=O)CCn1cc[nH+]c1 ZINC001112148774 781369834 /nfs/dbraw/zinc/36/98/34/781369834.db2.gz BJKZHCUGEDJWHV-UHFFFAOYSA-N 1 2 343.406 2.269 20 30 EEEDLO Cc1csc(C[N@H+]2C[C@H](NC(=O)CSCC#N)CC[C@@H]2C)n1 ZINC001131826263 783289016 /nfs/dbraw/zinc/28/90/16/783289016.db2.gz OMKMITQLDSFAOF-QWHCGFSZSA-N 1 2 338.502 2.177 20 30 EEEDLO Cc1csc(C[N@@H+]2C[C@H](NC(=O)CSCC#N)CC[C@@H]2C)n1 ZINC001131826263 783289028 /nfs/dbraw/zinc/28/90/28/783289028.db2.gz OMKMITQLDSFAOF-QWHCGFSZSA-N 1 2 338.502 2.177 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC001131895266 783452339 /nfs/dbraw/zinc/45/23/39/783452339.db2.gz HVYHJLWLLFMKSL-YOEHRIQHSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC001131895266 783452347 /nfs/dbraw/zinc/45/23/47/783452347.db2.gz HVYHJLWLLFMKSL-YOEHRIQHSA-N 1 2 347.503 2.227 20 30 EEEDLO Cc1n[nH]cc1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033308104 783488143 /nfs/dbraw/zinc/48/81/43/783488143.db2.gz HOYZUKNRJGJYBT-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1n[nH]cc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033308104 783488150 /nfs/dbraw/zinc/48/81/50/783488150.db2.gz HOYZUKNRJGJYBT-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cncc(OC)n2)C1 ZINC001131976502 783540704 /nfs/dbraw/zinc/54/07/04/783540704.db2.gz LDCDVBOEICMQCA-HOTGVXAUSA-N 1 2 344.459 2.148 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cncc(OC)n2)C1 ZINC001131976502 783540730 /nfs/dbraw/zinc/54/07/30/783540730.db2.gz LDCDVBOEICMQCA-HOTGVXAUSA-N 1 2 344.459 2.148 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC001108104189 783543628 /nfs/dbraw/zinc/54/36/28/783543628.db2.gz YKSATBKGGGHCOZ-IBGZPJMESA-N 1 2 340.427 2.083 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC001108104189 783543633 /nfs/dbraw/zinc/54/36/33/783543633.db2.gz YKSATBKGGGHCOZ-IBGZPJMESA-N 1 2 340.427 2.083 20 30 EEEDLO C=C[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C)o1)c1ccccc1 ZINC001035131157 783862014 /nfs/dbraw/zinc/86/20/14/783862014.db2.gz KXYDLGKJPADAEV-SJORKVTESA-N 1 2 340.427 2.428 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2coc(C(F)F)c2)[C@H](O)C1 ZINC001090523425 783987475 /nfs/dbraw/zinc/98/74/75/783987475.db2.gz QMUNWNMJOPFKBD-WDEREUQCSA-N 1 2 334.750 2.135 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2coc(C(F)F)c2)[C@H](O)C1 ZINC001090523425 783987481 /nfs/dbraw/zinc/98/74/81/783987481.db2.gz QMUNWNMJOPFKBD-WDEREUQCSA-N 1 2 334.750 2.135 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(C(F)F)c2F)C1 ZINC001035368740 784383111 /nfs/dbraw/zinc/38/31/11/784383111.db2.gz VJVLWVUDYJXZQA-NSHDSACASA-N 1 2 328.334 2.380 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cccc(C(F)F)c2F)C1 ZINC001035368740 784383117 /nfs/dbraw/zinc/38/31/17/784383117.db2.gz VJVLWVUDYJXZQA-NSHDSACASA-N 1 2 328.334 2.380 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCN2c2ccccc2)C1 ZINC001035399475 784445846 /nfs/dbraw/zinc/44/58/46/784445846.db2.gz RVBJCIQWOHNFHA-MOPGFXCFSA-N 1 2 343.471 2.049 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCN2c2ccccc2)C1 ZINC001035399475 784445849 /nfs/dbraw/zinc/44/58/49/784445849.db2.gz RVBJCIQWOHNFHA-MOPGFXCFSA-N 1 2 343.471 2.049 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C(C)C)nn2CC)C1 ZINC001035427925 784472126 /nfs/dbraw/zinc/47/21/26/784472126.db2.gz QKKLROBQPWILOZ-OAHLLOKOSA-N 1 2 334.464 2.033 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(C(C)C)nn2CC)C1 ZINC001035427925 784472129 /nfs/dbraw/zinc/47/21/29/784472129.db2.gz QKKLROBQPWILOZ-OAHLLOKOSA-N 1 2 334.464 2.033 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001035461956 784583214 /nfs/dbraw/zinc/58/32/14/784583214.db2.gz VEUQREUJPDGWCM-ZDUSSCGKSA-N 1 2 340.855 2.124 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001035461956 784583220 /nfs/dbraw/zinc/58/32/20/784583220.db2.gz VEUQREUJPDGWCM-ZDUSSCGKSA-N 1 2 340.855 2.124 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC001035545219 784653358 /nfs/dbraw/zinc/65/33/58/784653358.db2.gz IBMYBZUJLOZEFZ-WMLDXEAASA-N 1 2 330.428 2.017 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC001035545219 784653361 /nfs/dbraw/zinc/65/33/61/784653361.db2.gz IBMYBZUJLOZEFZ-WMLDXEAASA-N 1 2 330.428 2.017 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC001035527272 784676623 /nfs/dbraw/zinc/67/66/23/784676623.db2.gz VPBNAAXARCVJOR-HNNXBMFYSA-N 1 2 332.444 2.339 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C(C)(C)C)oc2C)C1 ZINC001035527272 784676628 /nfs/dbraw/zinc/67/66/28/784676628.db2.gz VPBNAAXARCVJOR-HNNXBMFYSA-N 1 2 332.444 2.339 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnc(-c3ccoc3)s2)C1 ZINC001035530655 784684157 /nfs/dbraw/zinc/68/41/57/784684157.db2.gz CGSCJGQLCJPXQZ-CQSZACIVSA-N 1 2 347.440 2.410 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnc(-c3ccoc3)s2)C1 ZINC001035530655 784684164 /nfs/dbraw/zinc/68/41/64/784684164.db2.gz CGSCJGQLCJPXQZ-CQSZACIVSA-N 1 2 347.440 2.410 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001035612670 784849797 /nfs/dbraw/zinc/84/97/97/784849797.db2.gz CTMWTBOIWRTMKB-SFHVURJKSA-N 1 2 330.428 2.092 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001035612670 784849799 /nfs/dbraw/zinc/84/97/99/784849799.db2.gz CTMWTBOIWRTMKB-SFHVURJKSA-N 1 2 330.428 2.092 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc3ccccc3n2CC)C1 ZINC001035613146 784851512 /nfs/dbraw/zinc/85/15/12/784851512.db2.gz DULJFSOXRYYHNO-INIZCTEOSA-N 1 2 327.428 2.278 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc3ccccc3n2CC)C1 ZINC001035613146 784851520 /nfs/dbraw/zinc/85/15/20/784851520.db2.gz DULJFSOXRYYHNO-INIZCTEOSA-N 1 2 327.428 2.278 20 30 EEEDLO CC(C)n1ccc(C[NH+]2CC3(C2)CCN(C(=O)[C@H](C)C#N)CC3)n1 ZINC001035668245 784956322 /nfs/dbraw/zinc/95/63/22/784956322.db2.gz FHIMYLQEHUBARI-OAHLLOKOSA-N 1 2 329.448 2.048 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000946328043 791081368 /nfs/dbraw/zinc/08/13/68/791081368.db2.gz CEVFIFZBKKXDIU-RDJZCZTQSA-N 1 2 344.459 2.100 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC2(C[NH+](Cc3cc(C)n(C)n3)C2)CC1 ZINC001035766806 785087402 /nfs/dbraw/zinc/08/74/02/785087402.db2.gz KADRHZVVWRGVLD-UHFFFAOYSA-N 1 2 330.476 2.365 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](C)CSC)CC2)C1 ZINC001105698564 785157991 /nfs/dbraw/zinc/15/79/91/785157991.db2.gz MYLRJPDAJLFHCB-AWEZNQCLSA-N 1 2 326.506 2.253 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)CC3CCC3)CC2)C1 ZINC001105699692 785198310 /nfs/dbraw/zinc/19/83/10/785198310.db2.gz CYYGJTPAQRFQOG-UHFFFAOYSA-N 1 2 336.476 2.071 20 30 EEEDLO CC(C)CC(=O)NC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001149109035 791098903 /nfs/dbraw/zinc/09/89/03/791098903.db2.gz HLTATEOMGVGAKL-QGZVFWFLSA-N 1 2 347.434 2.451 20 30 EEEDLO CC(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001149109035 791098908 /nfs/dbraw/zinc/09/89/08/791098908.db2.gz HLTATEOMGVGAKL-QGZVFWFLSA-N 1 2 347.434 2.451 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](CC)CC(F)F)nn2)C1 ZINC001107179294 786228597 /nfs/dbraw/zinc/22/85/97/786228597.db2.gz HGNSYURZXCTZGZ-GFCCVEGCSA-N 1 2 341.406 2.009 20 30 EEEDLO C=CCC1(C(=O)NCc2cn(C3C[NH+](CC(=C)C)C3)nn2)CCCC1 ZINC001107243608 786572759 /nfs/dbraw/zinc/57/27/59/786572759.db2.gz CASWEBIIGPAEGT-UHFFFAOYSA-N 1 2 343.475 2.464 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001062173660 787537889 /nfs/dbraw/zinc/53/78/89/787537889.db2.gz NNZVRUGPGNJRRV-HZPDHXFCSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001062282463 787787329 /nfs/dbraw/zinc/78/73/29/787787329.db2.gz LHZWDJRSBFORLV-OAHLLOKOSA-N 1 2 346.475 2.062 20 30 EEEDLO Cc1cc(C)c(C(=O)NC/C=C/CNc2ccc(C#N)nn2)c(C)[nH+]1 ZINC001107600054 787844755 /nfs/dbraw/zinc/84/47/55/787844755.db2.gz YINHCSAREVWXMT-SNAWJCMRSA-N 1 2 336.399 2.067 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001062315526 787876235 /nfs/dbraw/zinc/87/62/35/787876235.db2.gz YMTMSNXBGGONHF-LSDHHAIUSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001079008921 787896576 /nfs/dbraw/zinc/89/65/76/787896576.db2.gz JJIMJLSOOIFSKJ-MRXNPFEDSA-N 1 2 346.475 2.158 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H](N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001079010728 788013280 /nfs/dbraw/zinc/01/32/80/788013280.db2.gz HJQKETZFCFWAHR-MRXNPFEDSA-N 1 2 332.448 2.079 20 30 EEEDLO C[C@]1(CNC(=O)c2ccoc2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107735847 788190633 /nfs/dbraw/zinc/19/06/33/788190633.db2.gz KNEXSKLLPVYUFY-IBGZPJMESA-N 1 2 339.395 2.172 20 30 EEEDLO C[C@]1(CNC(=O)c2ccoc2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107735847 788190638 /nfs/dbraw/zinc/19/06/38/788190638.db2.gz KNEXSKLLPVYUFY-IBGZPJMESA-N 1 2 339.395 2.172 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)c(C)s2)[C@H](O)C1 ZINC001090795391 788321524 /nfs/dbraw/zinc/32/15/24/788321524.db2.gz WIIGKHJTWCFQLX-CHWSQXEVSA-N 1 2 328.865 2.282 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)c(C)s2)[C@H](O)C1 ZINC001090795391 788321533 /nfs/dbraw/zinc/32/15/33/788321533.db2.gz WIIGKHJTWCFQLX-CHWSQXEVSA-N 1 2 328.865 2.282 20 30 EEEDLO Cc1cc(C)c(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2C#N)c(C)[nH+]1 ZINC001062620314 788335728 /nfs/dbraw/zinc/33/57/28/788335728.db2.gz NQNWIAYYOVRWRI-IRXDYDNUSA-N 1 2 347.422 2.377 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001060787306 788633367 /nfs/dbraw/zinc/63/33/67/788633367.db2.gz HIZXWMZEZPBWPC-BRWVUGGUSA-N 1 2 346.475 2.277 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001077723049 788674813 /nfs/dbraw/zinc/67/48/13/788674813.db2.gz OCLKQBXLSQMBCR-GJZGRUSLSA-N 1 2 346.475 2.059 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)OCCCC)C1 ZINC001149339491 788709142 /nfs/dbraw/zinc/70/91/42/788709142.db2.gz CMTHNMZXVCNIHB-CABCVRRESA-N 1 2 332.872 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)OCCCC)C1 ZINC001149339491 788709148 /nfs/dbraw/zinc/70/91/48/788709148.db2.gz CMTHNMZXVCNIHB-CABCVRRESA-N 1 2 332.872 2.151 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C(C)(C)CCOC)CC2)C1 ZINC001105730014 789293436 /nfs/dbraw/zinc/29/34/36/789293436.db2.gz FRWXLQXLYDJORW-UHFFFAOYSA-N 1 2 338.492 2.317 20 30 EEEDLO Cc1noc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c1C ZINC001014861558 789407905 /nfs/dbraw/zinc/40/79/05/789407905.db2.gz AUFDEVUKNSKBFG-LBPRGKRZSA-N 1 2 330.413 2.229 20 30 EEEDLO Cc1noc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c1C ZINC001014861558 789407909 /nfs/dbraw/zinc/40/79/09/789407909.db2.gz AUFDEVUKNSKBFG-LBPRGKRZSA-N 1 2 330.413 2.229 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3c2CCCC3)[C@H](O)C1 ZINC001090280199 789535054 /nfs/dbraw/zinc/53/50/54/789535054.db2.gz RTUYBIAGXOXENV-ZWKOTPCHSA-N 1 2 348.874 2.483 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3c2CCCC3)[C@H](O)C1 ZINC001090280199 789535060 /nfs/dbraw/zinc/53/50/60/789535060.db2.gz RTUYBIAGXOXENV-ZWKOTPCHSA-N 1 2 348.874 2.483 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2ccc(F)cc2Cl)C1 ZINC001108182770 789673544 /nfs/dbraw/zinc/67/35/44/789673544.db2.gz PBDWIFCXFXCKBU-KRWDZBQOSA-N 1 2 340.826 2.415 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2ccc(F)cc2Cl)C1 ZINC001108182770 789673549 /nfs/dbraw/zinc/67/35/49/789673549.db2.gz PBDWIFCXFXCKBU-KRWDZBQOSA-N 1 2 340.826 2.415 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCc2csc(C)n2)C1 ZINC001107945358 789674805 /nfs/dbraw/zinc/67/48/05/789674805.db2.gz FDYOBHSWHPXVPS-QGZVFWFLSA-N 1 2 337.489 2.167 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCCc2csc(C)n2)C1 ZINC001107945358 789674814 /nfs/dbraw/zinc/67/48/14/789674814.db2.gz FDYOBHSWHPXVPS-QGZVFWFLSA-N 1 2 337.489 2.167 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ccon2)CC1 ZINC001006123097 789708862 /nfs/dbraw/zinc/70/88/62/789708862.db2.gz KNQXALJXHUWYHJ-IRXDYDNUSA-N 1 2 333.432 2.079 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)C1 ZINC000923559141 789769094 /nfs/dbraw/zinc/76/90/94/789769094.db2.gz GUKHVTNZTDPJGE-NSHDSACASA-N 1 2 337.326 2.009 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)C1 ZINC000923559141 789769099 /nfs/dbraw/zinc/76/90/99/789769099.db2.gz GUKHVTNZTDPJGE-NSHDSACASA-N 1 2 337.326 2.009 20 30 EEEDLO C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001107957125 789858243 /nfs/dbraw/zinc/85/82/43/789858243.db2.gz UTPDHRYVDYBILH-DGCLKSJQSA-N 1 2 326.334 2.060 20 30 EEEDLO C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001107957125 789858250 /nfs/dbraw/zinc/85/82/50/789858250.db2.gz UTPDHRYVDYBILH-DGCLKSJQSA-N 1 2 326.334 2.060 20 30 EEEDLO C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001107957125 789858259 /nfs/dbraw/zinc/85/82/59/789858259.db2.gz UTPDHRYVDYBILH-DGCLKSJQSA-N 1 2 326.334 2.060 20 30 EEEDLO C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001107957125 789858266 /nfs/dbraw/zinc/85/82/66/789858266.db2.gz UTPDHRYVDYBILH-DGCLKSJQSA-N 1 2 326.334 2.060 20 30 EEEDLO C=C[C@@H](C)ONC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000845638651 789898267 /nfs/dbraw/zinc/89/82/67/789898267.db2.gz JOENUQDCWZGKDP-OAHLLOKOSA-N 1 2 333.432 2.337 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079045504 790006113 /nfs/dbraw/zinc/00/61/13/790006113.db2.gz HEVPVBCMGUHDRT-CVEARBPZSA-N 1 2 346.475 2.394 20 30 EEEDLO CCOC(=O)c1cn2c(n1)C[N@H+]([C@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171220666 790124047 /nfs/dbraw/zinc/12/40/47/790124047.db2.gz DDGWLYCGZHZTEB-CQSZACIVSA-N 1 2 338.411 2.378 20 30 EEEDLO CCOC(=O)c1cn2c(n1)C[N@@H+]([C@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171220666 790124049 /nfs/dbraw/zinc/12/40/49/790124049.db2.gz DDGWLYCGZHZTEB-CQSZACIVSA-N 1 2 338.411 2.378 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001060330756 790136845 /nfs/dbraw/zinc/13/68/45/790136845.db2.gz HIPDERARJDUQKM-KXBFYZLASA-N 1 2 346.475 2.299 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC1(NC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001063060778 790168929 /nfs/dbraw/zinc/16/89/29/790168929.db2.gz JLDVFMDTEKVZMQ-UHFFFAOYSA-N 1 2 332.448 2.100 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCCN2C(=O)c2cccc3[nH+]ccn32)nc1 ZINC001063531577 791247518 /nfs/dbraw/zinc/24/75/18/791247518.db2.gz BUVIUOZBMLZSNN-OAHLLOKOSA-N 1 2 346.394 2.318 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001106067391 791277260 /nfs/dbraw/zinc/27/72/60/791277260.db2.gz VYCBVHJYSLXLCK-UKRRQHHQSA-N 1 2 346.475 2.155 20 30 EEEDLO N#Cc1ccc(N[C@@H]2CC[C@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)cn1 ZINC001091562052 791280240 /nfs/dbraw/zinc/28/02/40/791280240.db2.gz FPAAVVWYSMYKJA-UONOGXRCSA-N 1 2 338.415 2.006 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106066979 791280387 /nfs/dbraw/zinc/28/03/87/791280387.db2.gz NYTNNWUVEMOSQI-DZGCQCFKSA-N 1 2 334.464 2.400 20 30 EEEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)CO[C@H](C)CC)C2)C1 ZINC001147346626 791792253 /nfs/dbraw/zinc/79/22/53/791792253.db2.gz WZDUOJQXYJDIIK-CYBMUJFWSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)CO[C@H](C)CC)C2)C1 ZINC001147346626 791792254 /nfs/dbraw/zinc/79/22/54/791792254.db2.gz WZDUOJQXYJDIIK-CYBMUJFWSA-N 1 2 345.281 2.244 20 30 EEEDLO C#CCCCNC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000173320094 791840980 /nfs/dbraw/zinc/84/09/80/791840980.db2.gz BKVPRRUISXOYRL-SFHVURJKSA-N 1 2 343.471 2.332 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(-c2ccco2)n1 ZINC001032593135 791848819 /nfs/dbraw/zinc/84/88/19/791848819.db2.gz VLLRQGWCDAGMBH-STQMWFEESA-N 1 2 327.409 2.325 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(-c2ccco2)n1 ZINC001032593135 791848822 /nfs/dbraw/zinc/84/88/22/791848822.db2.gz VLLRQGWCDAGMBH-STQMWFEESA-N 1 2 327.409 2.325 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nnc(C)s1)C2 ZINC001148088165 792172891 /nfs/dbraw/zinc/17/28/91/792172891.db2.gz JAFWSEMZQBYMPF-STQMWFEESA-N 1 2 334.489 2.339 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(C)s1)C2 ZINC001148088165 792172894 /nfs/dbraw/zinc/17/28/94/792172894.db2.gz JAFWSEMZQBYMPF-STQMWFEESA-N 1 2 334.489 2.339 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCC1(NC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001064110181 792428530 /nfs/dbraw/zinc/42/85/30/792428530.db2.gz SWCWANFZLSBSCU-INIZCTEOSA-N 1 2 346.475 2.421 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCCC[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)nc1 ZINC001064187874 792642793 /nfs/dbraw/zinc/64/27/93/792642793.db2.gz IPJONSMEEVNOQT-ZBFHGGJFSA-N 1 2 338.415 2.006 20 30 EEEDLO C=C1CC(C)(C(=O)NCC2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CCC2)C1 ZINC001064459277 793167231 /nfs/dbraw/zinc/16/72/31/793167231.db2.gz FKXCGAANRKJDCL-OAHLLOKOSA-N 1 2 344.459 2.346 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ncc(C)o1 ZINC001089228678 793505003 /nfs/dbraw/zinc/50/50/03/793505003.db2.gz KBQQDKCDLRPZOD-BBWFWOEESA-N 1 2 347.459 2.387 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ncc(C)o1 ZINC001089228678 793505010 /nfs/dbraw/zinc/50/50/10/793505010.db2.gz KBQQDKCDLRPZOD-BBWFWOEESA-N 1 2 347.459 2.387 20 30 EEEDLO C[C@H]1C[C@@H](Nc2ncccc2C#N)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001064771280 793704132 /nfs/dbraw/zinc/70/41/32/793704132.db2.gz CUYNXZGSQJALTH-ZFWWWQNUSA-N 1 2 338.415 2.101 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)CC=C(C)CC1)C2 ZINC001110130152 793738926 /nfs/dbraw/zinc/73/89/26/793738926.db2.gz UJOWKVYNNCMYPM-YLAKUSLOSA-N 1 2 345.487 2.147 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)CC=C(C)CC1)C2 ZINC001110130152 793738934 /nfs/dbraw/zinc/73/89/34/793738934.db2.gz UJOWKVYNNCMYPM-YLAKUSLOSA-N 1 2 345.487 2.147 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](CNc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001109950856 806269983 /nfs/dbraw/zinc/26/99/83/806269983.db2.gz IYUJTJSOWJMXNU-IUODEOHRSA-N 1 2 346.479 2.155 20 30 EEEDLO C[C@H]1C[C@H](Nc2cccc(F)c2C#N)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001064793058 793772086 /nfs/dbraw/zinc/77/20/86/793772086.db2.gz SARIPLFNAVYSNM-QWHCGFSZSA-N 1 2 341.390 2.455 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(OC)c(F)c2)C1 ZINC001015157098 793813535 /nfs/dbraw/zinc/81/35/35/793813535.db2.gz WKPLAVUCPWQWFV-CYBMUJFWSA-N 1 2 326.799 2.320 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(OC)c(F)c2)C1 ZINC001015157098 793813543 /nfs/dbraw/zinc/81/35/43/793813543.db2.gz WKPLAVUCPWQWFV-CYBMUJFWSA-N 1 2 326.799 2.320 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1C(C)(C)C1(C)C)c1nccn12 ZINC001092358256 793831235 /nfs/dbraw/zinc/83/12/35/793831235.db2.gz DBFLYWXZLTXPCK-CQSZACIVSA-N 1 2 340.471 2.161 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C(F)=C1CCCC1)c1nccn12 ZINC001092362876 793838267 /nfs/dbraw/zinc/83/82/67/793838267.db2.gz CRBVPJOGOHLEEA-AWEZNQCLSA-N 1 2 330.407 2.439 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)C13CCC(CC1)C3)c1nccn12 ZINC001092378398 793872096 /nfs/dbraw/zinc/87/20/96/793872096.db2.gz NAMVARWMNWPLKU-KOHRHEQBSA-N 1 2 338.455 2.059 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@]13C[C@@H]1CCCC3)c1nccn12 ZINC001092392883 793891292 /nfs/dbraw/zinc/89/12/92/793891292.db2.gz NKQOVYZDQAJFPC-FTRWYGJKSA-N 1 2 338.455 2.059 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC(C2CC2)C2CC2)[C@@H](O)C1 ZINC001100134112 806281748 /nfs/dbraw/zinc/28/17/48/806281748.db2.gz MJKXUFREILMSQM-HOTGVXAUSA-N 1 2 326.868 2.117 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC(C2CC2)C2CC2)[C@@H](O)C1 ZINC001100134112 806281752 /nfs/dbraw/zinc/28/17/52/806281752.db2.gz MJKXUFREILMSQM-HOTGVXAUSA-N 1 2 326.868 2.117 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccc(F)cc1)c1nccn12 ZINC001092409772 793958529 /nfs/dbraw/zinc/95/85/29/793958529.db2.gz CKKWGZMONFRRKU-INIZCTEOSA-N 1 2 340.402 2.023 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)c1ccccc1)c1nccn12 ZINC001092409851 793958834 /nfs/dbraw/zinc/95/88/34/793958834.db2.gz YQOMYUBZWRTCTN-WBVHZDCISA-N 1 2 336.439 2.445 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N1CC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21)OCC ZINC001090341790 794055067 /nfs/dbraw/zinc/05/50/67/794055067.db2.gz JKBCTWSQZPLXIN-GVDBMIGSSA-N 1 2 344.459 2.193 20 30 EEEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)CCCCC(C)C)CC2 ZINC001128059455 794117916 /nfs/dbraw/zinc/11/79/16/794117916.db2.gz OGHCJYOJRARYND-MRXNPFEDSA-N 1 2 345.491 2.038 20 30 EEEDLO COc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)n1 ZINC001032711002 794261253 /nfs/dbraw/zinc/26/12/53/794261253.db2.gz CANDJQHPCWIUHU-IRXDYDNUSA-N 1 2 348.406 2.061 20 30 EEEDLO COc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)n1 ZINC001032711002 794261261 /nfs/dbraw/zinc/26/12/61/794261261.db2.gz CANDJQHPCWIUHU-IRXDYDNUSA-N 1 2 348.406 2.061 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3csnn3)C[C@H]2C)CC1 ZINC001092940121 794495168 /nfs/dbraw/zinc/49/51/68/794495168.db2.gz HAYARLODLFSFPU-UKRRQHHQSA-N 1 2 334.489 2.469 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3csnn3)C[C@H]2C)CC1 ZINC001092940121 794495171 /nfs/dbraw/zinc/49/51/71/794495171.db2.gz HAYARLODLFSFPU-UKRRQHHQSA-N 1 2 334.489 2.469 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1cccc(OC)c1 ZINC001032716204 794522189 /nfs/dbraw/zinc/52/21/89/794522189.db2.gz QDTOLPIHHPEPCY-IRXDYDNUSA-N 1 2 326.440 2.281 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1cccc(OC)c1 ZINC001032716204 794522193 /nfs/dbraw/zinc/52/21/93/794522193.db2.gz QDTOLPIHHPEPCY-IRXDYDNUSA-N 1 2 326.440 2.281 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001093152282 794732302 /nfs/dbraw/zinc/73/23/02/794732302.db2.gz HWJHXGYIMNIGBM-OAHLLOKOSA-N 1 2 344.459 2.292 20 30 EEEDLO N#Cc1ccc(NC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C2CC2)cn1 ZINC001110011337 806377339 /nfs/dbraw/zinc/37/73/39/806377339.db2.gz NPQXHVGNIYXYEI-SFHVURJKSA-N 1 2 346.394 2.450 20 30 EEEDLO C=CCCC(=O)NCC1(Nc2nc(N(C)C)nc(C)[nH+]2)CCCCC1 ZINC001093383237 795125526 /nfs/dbraw/zinc/12/55/26/795125526.db2.gz PEZFKIKYDKYBSN-UHFFFAOYSA-N 1 2 346.479 2.443 20 30 EEEDLO N#Cc1cccnc1NC1(CNC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001093411728 795152816 /nfs/dbraw/zinc/15/28/16/795152816.db2.gz GNERTFDKIPSSCR-UHFFFAOYSA-N 1 2 338.415 2.150 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC(N(CC)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001079791255 795198113 /nfs/dbraw/zinc/19/81/13/795198113.db2.gz AEJJQCJPRMIPSN-AWEZNQCLSA-N 1 2 332.448 2.106 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3Cc3nncs3)C2)C1 ZINC001036816230 795236954 /nfs/dbraw/zinc/23/69/54/795236954.db2.gz RKMKIBBAXJDBHN-ZIAGYGMSSA-N 1 2 332.473 2.317 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3Cc3nncs3)C2)C1 ZINC001036816230 795236959 /nfs/dbraw/zinc/23/69/59/795236959.db2.gz RKMKIBBAXJDBHN-ZIAGYGMSSA-N 1 2 332.473 2.317 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ncccn2)C[C@H]1C ZINC001079855850 795285035 /nfs/dbraw/zinc/28/50/35/795285035.db2.gz VCYVKHAPVWYFFO-OWCLPIDISA-N 1 2 339.443 2.275 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ncccn2)C[C@H]1C ZINC001079855850 795285037 /nfs/dbraw/zinc/28/50/37/795285037.db2.gz VCYVKHAPVWYFFO-OWCLPIDISA-N 1 2 339.443 2.275 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CC[C@H](OC)C3)CC2)C1 ZINC001093549476 795367477 /nfs/dbraw/zinc/36/74/77/795367477.db2.gz XAYCGJWVYZDLIS-RDJZCZTQSA-N 1 2 336.476 2.069 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)Cc3ccc(CC)cn3)CC2)C1 ZINC001093577963 795387722 /nfs/dbraw/zinc/38/77/22/795387722.db2.gz SNIMJTUWWPGAEH-UHFFFAOYSA-N 1 2 343.471 2.064 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cnoc3C3CC3)CC2)C1 ZINC001093589451 795402621 /nfs/dbraw/zinc/40/26/21/795402621.db2.gz XEIAEEAHCVAOBK-UHFFFAOYSA-N 1 2 331.416 2.043 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@H]3CC[C@H](C4CC4)O3)CC2)C1 ZINC001093555896 795409678 /nfs/dbraw/zinc/40/96/78/795409678.db2.gz MGJGRKFFHMBVDB-IEBWSBKVSA-N 1 2 348.487 2.212 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC(N(CC)C(=O)CCCn2cc[nH+]c2)C1 ZINC001080026976 795503120 /nfs/dbraw/zinc/50/31/20/795503120.db2.gz NKVLIJSUESRCSL-UHFFFAOYSA-N 1 2 346.475 2.325 20 30 EEEDLO C[C@H](CCNc1cccc(F)c1C#N)NC(=O)CCc1c[nH+]cn1C ZINC001106406828 795522242 /nfs/dbraw/zinc/52/22/42/795522242.db2.gz ZPRLWPICTNSPIW-CYBMUJFWSA-N 1 2 343.406 2.370 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(OC)c(OC)c2C)C1 ZINC001108017168 795536070 /nfs/dbraw/zinc/53/60/70/795536070.db2.gz NHTAJDDLSWIRTK-LJQANCHMSA-N 1 2 348.443 2.019 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(OC)c(OC)c2C)C1 ZINC001108017168 795536073 /nfs/dbraw/zinc/53/60/73/795536073.db2.gz NHTAJDDLSWIRTK-LJQANCHMSA-N 1 2 348.443 2.019 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)oc1C ZINC000993167789 795579230 /nfs/dbraw/zinc/57/92/30/795579230.db2.gz FZHMVDMFASQPIB-IUODEOHRSA-N 1 2 341.415 2.274 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)oc1C ZINC000993167789 795579232 /nfs/dbraw/zinc/57/92/32/795579232.db2.gz FZHMVDMFASQPIB-IUODEOHRSA-N 1 2 341.415 2.274 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C(F)F)n(C)n2)C1 ZINC001080132788 795635938 /nfs/dbraw/zinc/63/59/38/795635938.db2.gz SRLKMNONQWSKTJ-LDYMZIIASA-N 1 2 332.782 2.160 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C(F)F)n(C)n2)C1 ZINC001080132788 795635941 /nfs/dbraw/zinc/63/59/41/795635941.db2.gz SRLKMNONQWSKTJ-LDYMZIIASA-N 1 2 332.782 2.160 20 30 EEEDLO C=CCCC(=O)N1CC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001060940321 795809377 /nfs/dbraw/zinc/80/93/77/795809377.db2.gz ZRDLLLHPVXBOFF-MRXNPFEDSA-N 1 2 344.459 2.251 20 30 EEEDLO N#Cc1nc(NCCNC(=O)c2cccc3[nH+]ccn32)sc1Cl ZINC001093986439 795837165 /nfs/dbraw/zinc/83/71/65/795837165.db2.gz OZYPNGFKFPKNPW-UHFFFAOYSA-N 1 2 346.803 2.158 20 30 EEEDLO C=CCn1cccc1C(=O)NCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001094221668 796004863 /nfs/dbraw/zinc/00/48/63/796004863.db2.gz LZSBDBGXOYWHMF-UHFFFAOYSA-N 1 2 339.443 2.493 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CCCC[C@@H]3C3CC3)nn2)C1 ZINC001094306868 796074704 /nfs/dbraw/zinc/07/47/04/796074704.db2.gz XBAFSDPKKOPCTA-MSOLQXFVSA-N 1 2 343.475 2.153 20 30 EEEDLO C[C@H](CNc1ccc(C#N)nc1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001108033801 796076071 /nfs/dbraw/zinc/07/60/71/796076071.db2.gz WMFAANLWLDVHCL-CQSZACIVSA-N 1 2 346.394 2.369 20 30 EEEDLO C=CCCC(=O)NCCCNc1[nH+]c(C)nc(-n2cccn2)c1C ZINC001094327150 796100758 /nfs/dbraw/zinc/10/07/58/796100758.db2.gz FWTXCHLFGKGLHF-UHFFFAOYSA-N 1 2 328.420 2.164 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@H]2CO[C@@H](C)C2)CC1 ZINC001000861200 796284635 /nfs/dbraw/zinc/28/46/35/796284635.db2.gz JTIOJWHOGMONIN-GXTWGEPZSA-N 1 2 343.265 2.068 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@H]2CO[C@@H](C)C2)CC1 ZINC001000861200 796284640 /nfs/dbraw/zinc/28/46/40/796284640.db2.gz JTIOJWHOGMONIN-GXTWGEPZSA-N 1 2 343.265 2.068 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@@H]3CC[C@H](Nc4cc[nH+]c(C)n4)[C@H]3C2)c1 ZINC001060552378 796362588 /nfs/dbraw/zinc/36/25/88/796362588.db2.gz DVBXDHOJHJXLRF-SZMVWBNQSA-N 1 2 347.422 2.124 20 30 EEEDLO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3[nH]nnc3-c3ccccc3)CC[C@@H]21 ZINC001036903323 796442350 /nfs/dbraw/zinc/44/23/50/796442350.db2.gz YYNRBUGDUQDMRV-CVEARBPZSA-N 1 2 337.427 2.194 20 30 EEEDLO C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3[nH]nnc3-c3ccccc3)CC[C@@H]21 ZINC001036903323 796442358 /nfs/dbraw/zinc/44/23/58/796442358.db2.gz YYNRBUGDUQDMRV-CVEARBPZSA-N 1 2 337.427 2.194 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3ccccc3C(C)C)CC2=O)C1 ZINC001094743975 796557860 /nfs/dbraw/zinc/55/78/60/796557860.db2.gz NLBOOGVWFVJCAW-OAHLLOKOSA-N 1 2 341.455 2.011 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CCC=CCCC3)CC2=O)C1 ZINC001094749834 796561084 /nfs/dbraw/zinc/56/10/84/796561084.db2.gz UAMLWWPGAHHQTQ-SJORKVTESA-N 1 2 345.487 2.100 20 30 EEEDLO C=CCCCC(=O)N(CC)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001081096183 796629290 /nfs/dbraw/zinc/62/92/90/796629290.db2.gz MXVCEXKHXXMLAY-UHFFFAOYSA-N 1 2 346.475 2.327 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CC=CCC1 ZINC001081350531 796736055 /nfs/dbraw/zinc/73/60/55/796736055.db2.gz KQUZXSMSQQBYCD-KBRIMQKVSA-N 1 2 345.468 2.291 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1CC=CCC1 ZINC001081350531 796736057 /nfs/dbraw/zinc/73/60/57/796736057.db2.gz KQUZXSMSQQBYCD-KBRIMQKVSA-N 1 2 345.468 2.291 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2csnn2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993630352 796885688 /nfs/dbraw/zinc/88/56/88/796885688.db2.gz GUSTYAWYBRDKPL-GDBMZVCRSA-N 1 2 340.452 2.173 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2csnn2)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993630352 796885695 /nfs/dbraw/zinc/88/56/95/796885695.db2.gz GUSTYAWYBRDKPL-GDBMZVCRSA-N 1 2 340.452 2.173 20 30 EEEDLO COC(=O)[C@H]1C[C@@H]([N@H+](C)CCC#N)C[C@H]1C(=O)OCc1ccccc1 ZINC001172264881 796932692 /nfs/dbraw/zinc/93/26/92/796932692.db2.gz JNWWGHFBFSPVIE-IXDOHACOSA-N 1 2 344.411 2.143 20 30 EEEDLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)CCC#N)C[C@H]1C(=O)OCc1ccccc1 ZINC001172264881 796932695 /nfs/dbraw/zinc/93/26/95/796932695.db2.gz JNWWGHFBFSPVIE-IXDOHACOSA-N 1 2 344.411 2.143 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C12CCC2 ZINC001078807267 797034501 /nfs/dbraw/zinc/03/45/01/797034501.db2.gz VIHXWIUZCANKOZ-HUUCEWRRSA-N 1 2 345.834 2.341 20 30 EEEDLO C=CCCC(=O)NCCCCCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001094940517 797061615 /nfs/dbraw/zinc/06/16/15/797061615.db2.gz ZQRBZZJVRVJTEE-UHFFFAOYSA-N 1 2 334.468 2.301 20 30 EEEDLO Cc1nc(N[C@H](C)CN(C)C(=O)CSCC#N)c2c([nH+]1)CCCC2 ZINC001115630871 797106688 /nfs/dbraw/zinc/10/66/88/797106688.db2.gz MSCFHBFFXUFBRS-GFCCVEGCSA-N 1 2 347.488 2.179 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001082042039 797113847 /nfs/dbraw/zinc/11/38/47/797113847.db2.gz WRPGMJWONFVSCF-HNNXBMFYSA-N 1 2 332.448 2.196 20 30 EEEDLO Cn1c[nH+]cc1CC(=O)NCCCCCCNc1ccc(C#N)nc1 ZINC001094963965 797121241 /nfs/dbraw/zinc/12/12/41/797121241.db2.gz VDEADYJRKKXYDH-UHFFFAOYSA-N 1 2 340.431 2.018 20 30 EEEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897352 797126457 /nfs/dbraw/zinc/12/64/57/797126457.db2.gz ZPDGXTLJXVFBPF-HIFRSBDPSA-N 1 2 338.429 2.293 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001082148065 797239285 /nfs/dbraw/zinc/23/92/85/797239285.db2.gz GNEMRHXGOVXQNN-INIZCTEOSA-N 1 2 332.448 2.127 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn3nccc3nc2C)[C@@H]1C ZINC000994120480 797302685 /nfs/dbraw/zinc/30/26/85/797302685.db2.gz HACCSRVCSYGDJV-DZGCQCFKSA-N 1 2 347.850 2.373 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn3nccc3nc2C)[C@@H]1C ZINC000994120480 797302696 /nfs/dbraw/zinc/30/26/96/797302696.db2.gz HACCSRVCSYGDJV-DZGCQCFKSA-N 1 2 347.850 2.373 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn(CC3CC3)nn2)[C@@H]1C ZINC000994109317 797323865 /nfs/dbraw/zinc/32/38/65/797323865.db2.gz UNEIMBFXDPZLCU-JSGCOSHPSA-N 1 2 337.855 2.023 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(CC3CC3)nn2)[C@@H]1C ZINC000994109317 797323872 /nfs/dbraw/zinc/32/38/72/797323872.db2.gz UNEIMBFXDPZLCU-JSGCOSHPSA-N 1 2 337.855 2.023 20 30 EEEDLO Cc1nc(N(C)[C@@H]2CCN(C(=O)CC#Cc3ccccc3)C2)cc[nH+]1 ZINC001095124084 797396085 /nfs/dbraw/zinc/39/60/85/797396085.db2.gz OMCIQVCAQFJMLV-GOSISDBHSA-N 1 2 334.423 2.264 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001082285292 797407931 /nfs/dbraw/zinc/40/79/31/797407931.db2.gz QWJYWELRLNYGMC-GJZGRUSLSA-N 1 2 344.459 2.293 20 30 EEEDLO CC(C)=CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001082988550 797793942 /nfs/dbraw/zinc/79/39/42/797793942.db2.gz DUYMVPSAPXHFJH-ZWKOTPCHSA-N 1 2 343.402 2.075 20 30 EEEDLO CC(C)=CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001082988550 797793945 /nfs/dbraw/zinc/79/39/45/797793945.db2.gz DUYMVPSAPXHFJH-ZWKOTPCHSA-N 1 2 343.402 2.075 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3scc(C)c3Cl)[C@H]2C1 ZINC001083091458 797864738 /nfs/dbraw/zinc/86/47/38/797864738.db2.gz OZZZXCBWRGGNIQ-QWHCGFSZSA-N 1 2 338.860 2.258 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3scc(C)c3Cl)[C@H]2C1 ZINC001083091458 797864742 /nfs/dbraw/zinc/86/47/42/797864742.db2.gz OZZZXCBWRGGNIQ-QWHCGFSZSA-N 1 2 338.860 2.258 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2c(C)noc2C)CC1 ZINC001002323504 797897311 /nfs/dbraw/zinc/89/73/11/797897311.db2.gz UDGJAPRZGKVHTN-UHFFFAOYSA-N 1 2 342.237 2.394 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3c(Cl)oc4ccccc43)[C@H]2C1 ZINC001083171848 797912486 /nfs/dbraw/zinc/91/24/86/797912486.db2.gz YGYPBFSXGFNRBI-DZGCQCFKSA-N 1 2 344.798 2.245 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3c(Cl)oc4ccccc43)[C@H]2C1 ZINC001083171848 797912488 /nfs/dbraw/zinc/91/24/88/797912488.db2.gz YGYPBFSXGFNRBI-DZGCQCFKSA-N 1 2 344.798 2.245 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)C1CCCC1 ZINC001083938111 797928257 /nfs/dbraw/zinc/92/82/57/797928257.db2.gz VAHHWKPAODIGHM-DBVUQKKJSA-N 1 2 340.467 2.026 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)C1CCCC1 ZINC001083938111 797928262 /nfs/dbraw/zinc/92/82/62/797928262.db2.gz VAHHWKPAODIGHM-DBVUQKKJSA-N 1 2 340.467 2.026 20 30 EEEDLO C[C@@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)c1[nH]ncc1F ZINC001175135533 798011773 /nfs/dbraw/zinc/01/17/73/798011773.db2.gz UAVXGQILFZUKNX-HNNXBMFYSA-N 1 2 342.418 2.479 20 30 EEEDLO N#Cc1cccnc1NCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000917159418 798122464 /nfs/dbraw/zinc/12/24/64/798122464.db2.gz ZAWOHAFAOFTMAI-UHFFFAOYSA-N 1 2 346.394 2.040 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)C2)nc1 ZINC001061097086 798155658 /nfs/dbraw/zinc/15/56/58/798155658.db2.gz CFCHTYWNZKGLCE-CVEARBPZSA-N 1 2 335.411 2.314 20 30 EEEDLO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)n1C ZINC001038067865 798165127 /nfs/dbraw/zinc/16/51/27/798165127.db2.gz XQPKKQXBTRMOKA-CYBMUJFWSA-N 1 2 328.441 2.271 20 30 EEEDLO Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)n1C ZINC001038067865 798165131 /nfs/dbraw/zinc/16/51/31/798165131.db2.gz XQPKKQXBTRMOKA-CYBMUJFWSA-N 1 2 328.441 2.271 20 30 EEEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)Cc2ccon2)CC1 ZINC001002496369 798176096 /nfs/dbraw/zinc/17/60/96/798176096.db2.gz ZMSUZILTCVEANS-UHFFFAOYSA-N 1 2 342.374 2.009 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@@H](Nc2ncccc2C#N)C1 ZINC001061099552 798216630 /nfs/dbraw/zinc/21/66/30/798216630.db2.gz XDIUTCZNZBVNJG-LSDHHAIUSA-N 1 2 338.415 2.067 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cncc(F)c2)CC1 ZINC001002572689 798273321 /nfs/dbraw/zinc/27/33/21/798273321.db2.gz YYFCMUHFHAPUPP-UHFFFAOYSA-N 1 2 342.212 2.324 20 30 EEEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCOC3)c2C1 ZINC001128235616 798455679 /nfs/dbraw/zinc/45/56/79/798455679.db2.gz UWXSOMJTPZGDIG-MRXNPFEDSA-N 1 2 346.475 2.098 20 30 EEEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCOC3)c2C1 ZINC001128235616 798455683 /nfs/dbraw/zinc/45/56/83/798455683.db2.gz UWXSOMJTPZGDIG-MRXNPFEDSA-N 1 2 346.475 2.098 20 30 EEEDLO CCC/C=C/CC[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)C#N)c2C1 ZINC001128263449 798583348 /nfs/dbraw/zinc/58/33/48/798583348.db2.gz BAWLHLHALNQRCJ-LLYBFZRZSA-N 1 2 329.448 2.221 20 30 EEEDLO CCC/C=C/CC[N@H+]1CCn2ncc(CNC(=O)[C@H](C)C#N)c2C1 ZINC001128263449 798583352 /nfs/dbraw/zinc/58/33/52/798583352.db2.gz BAWLHLHALNQRCJ-LLYBFZRZSA-N 1 2 329.448 2.221 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@H+](CCOc3ccccc3)[C@H]2C1 ZINC001176955676 798657077 /nfs/dbraw/zinc/65/70/77/798657077.db2.gz WWYATYPEHORAKV-OALUTQOASA-N 1 2 344.455 2.333 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCOc3ccccc3)[C@H]2C1 ZINC001176955676 798657081 /nfs/dbraw/zinc/65/70/81/798657081.db2.gz WWYATYPEHORAKV-OALUTQOASA-N 1 2 344.455 2.333 20 30 EEEDLO C=CCCC1(C(=O)N2CC[C@@H]3OCC[N@H+](CCOCC=C)[C@@H]3C2)CC1 ZINC001177102405 798750480 /nfs/dbraw/zinc/75/04/80/798750480.db2.gz VDANWNUXUAASNT-MSOLQXFVSA-N 1 2 348.487 2.237 20 30 EEEDLO C=CCCC1(C(=O)N2CC[C@@H]3OCC[N@@H+](CCOCC=C)[C@@H]3C2)CC1 ZINC001177102405 798750484 /nfs/dbraw/zinc/75/04/84/798750484.db2.gz VDANWNUXUAASNT-MSOLQXFVSA-N 1 2 348.487 2.237 20 30 EEEDLO Cc1nc(N(C)[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001061180056 798764627 /nfs/dbraw/zinc/76/46/27/798764627.db2.gz ZFJBPWCNQSJKBO-HIFRSBDPSA-N 1 2 341.459 2.251 20 30 EEEDLO Cc1nc(N(C)[C@H]2CCCN(C(=O)C#CC3CC3)C2)c(C)c(C)[nH+]1 ZINC001061207891 798906802 /nfs/dbraw/zinc/90/68/02/798906802.db2.gz WURMEKHEMDYHMO-KRWDZBQOSA-N 1 2 326.444 2.242 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CCN(c2cc[nH+]c(C)n2)C1 ZINC001065354629 798945633 /nfs/dbraw/zinc/94/56/33/798945633.db2.gz WNLFRQQDOJZIFA-SFHVURJKSA-N 1 2 325.416 2.171 20 30 EEEDLO O=C(C#CC1CC1)NCc1cnn2c1C[N@H+](CCCC1CCC1)CC2 ZINC001128346691 798988165 /nfs/dbraw/zinc/98/81/65/798988165.db2.gz CKSWCCXPDBHRLS-UHFFFAOYSA-N 1 2 340.471 2.309 20 30 EEEDLO O=C(C#CC1CC1)NCc1cnn2c1C[N@@H+](CCCC1CCC1)CC2 ZINC001128346691 798988171 /nfs/dbraw/zinc/98/81/71/798988171.db2.gz CKSWCCXPDBHRLS-UHFFFAOYSA-N 1 2 340.471 2.309 20 30 EEEDLO C=C(C)[C@H](CC(=O)NCc1cnn2c1C[N@@H+](C(C)C)CC2)OCC ZINC001128376122 799114367 /nfs/dbraw/zinc/11/43/67/799114367.db2.gz DAYCEMXWIPPXOF-KRWDZBQOSA-N 1 2 334.464 2.095 20 30 EEEDLO C=C(C)[C@H](CC(=O)NCc1cnn2c1C[N@H+](C(C)C)CC2)OCC ZINC001128376122 799114372 /nfs/dbraw/zinc/11/43/72/799114372.db2.gz DAYCEMXWIPPXOF-KRWDZBQOSA-N 1 2 334.464 2.095 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2snnc2C2CC2)CC1 ZINC001003074990 799157724 /nfs/dbraw/zinc/15/77/24/799157724.db2.gz FYSLHIFFNKOOHT-UHFFFAOYSA-N 1 2 326.853 2.362 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC001065703939 799350591 /nfs/dbraw/zinc/35/05/91/799350591.db2.gz HIPWPCWQSJFAPD-UGIZUQJLSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@H](C)CC)CC2)C1 ZINC001065704150 799350654 /nfs/dbraw/zinc/35/06/54/799350654.db2.gz JANJOCXQBQNBMD-SJORKVTESA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C3(C)CC3)C2)CC1 ZINC001065704596 799351098 /nfs/dbraw/zinc/35/10/98/799351098.db2.gz NZDOEWCSQPJJLJ-MRXNPFEDSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)c3ccsc3)CC2)C1 ZINC001065691784 799366601 /nfs/dbraw/zinc/36/66/01/799366601.db2.gz MNOAZGQTOWGRIQ-MRXNPFEDSA-N 1 2 347.484 2.073 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C(C)(C)CC)CC2)C1 ZINC001065693779 799371952 /nfs/dbraw/zinc/37/19/52/799371952.db2.gz HCMCIFOOJUUBBL-MRXNPFEDSA-N 1 2 335.492 2.134 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC3(C)C)C2)CC1 ZINC001065700531 799389008 /nfs/dbraw/zinc/38/90/08/799389008.db2.gz UHCLIXIELFSZTA-IAGOWNOFSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC3(C)C)C2)CC1 ZINC001065700677 799389410 /nfs/dbraw/zinc/38/94/10/799389410.db2.gz UHCLIXIELFSZTA-IRXDYDNUSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C3CCCC3)CC2)C1 ZINC001065710732 799406728 /nfs/dbraw/zinc/40/67/28/799406728.db2.gz DGPWBTHJFOPHTF-SFHVURJKSA-N 1 2 347.503 2.278 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC3CC3)CC2)C1 ZINC001065711990 799409764 /nfs/dbraw/zinc/40/97/64/799409764.db2.gz SMXAAYGWEWSKMX-FUHWJXTLSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C3(CCC)CC3)C2)CC1 ZINC001065713342 799413135 /nfs/dbraw/zinc/41/31/35/799413135.db2.gz QFUCGVGSECADEY-QGZVFWFLSA-N 1 2 347.503 2.278 20 30 EEEDLO CC#CCCCC(=O)N1CC[C@H]([NH2+]Cc2nc(C3CC3)no2)[C@@H]1C ZINC001179360473 799896808 /nfs/dbraw/zinc/89/68/08/799896808.db2.gz WSRQFSADQGSKSF-ZFWWWQNUSA-N 1 2 330.432 2.220 20 30 EEEDLO C=CCCC(=O)N(C)[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001078875869 800058284 /nfs/dbraw/zinc/05/82/84/800058284.db2.gz JPUJVLYMLGCBMT-MRXNPFEDSA-N 1 2 346.475 2.158 20 30 EEEDLO CN(C(=O)C(C)(F)F)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032857237 800145467 /nfs/dbraw/zinc/14/54/67/800145467.db2.gz SDYYGYAWZVHAEY-CYBMUJFWSA-N 1 2 325.334 2.385 20 30 EEEDLO CN(C(=O)C(C)(F)F)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032857237 800145470 /nfs/dbraw/zinc/14/54/70/800145470.db2.gz SDYYGYAWZVHAEY-CYBMUJFWSA-N 1 2 325.334 2.385 20 30 EEEDLO Cc1nc(N2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)c(C)c(C)[nH+]1 ZINC001061324758 800208036 /nfs/dbraw/zinc/20/80/36/800208036.db2.gz ZDUAGILRIOBXNU-MRXNPFEDSA-N 1 2 338.415 2.000 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001066226003 800212853 /nfs/dbraw/zinc/21/28/53/800212853.db2.gz NMZAQKNOIKROTL-INIZCTEOSA-N 1 2 346.475 2.206 20 30 EEEDLO CCc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)n[nH]1 ZINC001032921670 800412231 /nfs/dbraw/zinc/41/22/31/800412231.db2.gz RBUZOJPNEIFQMT-KRWDZBQOSA-N 1 2 337.427 2.190 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)C2CCN(c3ccccc3C#N)CC2)CC1 ZINC001180506832 800463504 /nfs/dbraw/zinc/46/35/04/800463504.db2.gz ARDIYILPRNNLSG-UHFFFAOYSA-N 1 2 338.455 2.105 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)[nH]n1 ZINC001032934288 800479140 /nfs/dbraw/zinc/47/91/40/800479140.db2.gz DSVCKFGHBKXTBK-QGZVFWFLSA-N 1 2 340.402 2.055 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)[nH]n1 ZINC001032934288 800479143 /nfs/dbraw/zinc/47/91/43/800479143.db2.gz DSVCKFGHBKXTBK-QGZVFWFLSA-N 1 2 340.402 2.055 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)n[nH]1 ZINC001032934288 800479149 /nfs/dbraw/zinc/47/91/49/800479149.db2.gz DSVCKFGHBKXTBK-QGZVFWFLSA-N 1 2 340.402 2.055 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)n[nH]1 ZINC001032934288 800479153 /nfs/dbraw/zinc/47/91/53/800479153.db2.gz DSVCKFGHBKXTBK-QGZVFWFLSA-N 1 2 340.402 2.055 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C2=COCCC2)C1 ZINC001032941897 800492265 /nfs/dbraw/zinc/49/22/65/800492265.db2.gz VTECLYFZHHUBPM-ZDUSSCGKSA-N 1 2 329.238 2.122 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C2=COCCC2)C1 ZINC001032941897 800492269 /nfs/dbraw/zinc/49/22/69/800492269.db2.gz VTECLYFZHHUBPM-ZDUSSCGKSA-N 1 2 329.238 2.122 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)C1CCOCC1 ZINC001085454792 800534667 /nfs/dbraw/zinc/53/46/67/800534667.db2.gz UUWXQPAKGXBYLB-QGZVFWFLSA-N 1 2 345.418 2.157 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)C1CCOCC1 ZINC001085454792 800534673 /nfs/dbraw/zinc/53/46/73/800534673.db2.gz UUWXQPAKGXBYLB-QGZVFWFLSA-N 1 2 345.418 2.157 20 30 EEEDLO Cc1ncoc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032979940 800647522 /nfs/dbraw/zinc/64/75/22/800647522.db2.gz UEWVYZCLODKWSH-OAHLLOKOSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1ncoc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032979940 800647523 /nfs/dbraw/zinc/64/75/23/800647523.db2.gz UEWVYZCLODKWSH-OAHLLOKOSA-N 1 2 342.374 2.340 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1ccc(F)nc1 ZINC001085517893 800685928 /nfs/dbraw/zinc/68/59/28/800685928.db2.gz DRZBZNSUWNOCTQ-SFHVURJKSA-N 1 2 337.398 2.419 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)c1ccc(F)nc1 ZINC001085517893 800685932 /nfs/dbraw/zinc/68/59/32/800685932.db2.gz DRZBZNSUWNOCTQ-SFHVURJKSA-N 1 2 337.398 2.419 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001032995727 800692875 /nfs/dbraw/zinc/69/28/75/800692875.db2.gz IVVSNPHLPVAECW-MQYQWHSLSA-N 1 2 327.266 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001032995727 800692879 /nfs/dbraw/zinc/69/28/79/800692879.db2.gz IVVSNPHLPVAECW-MQYQWHSLSA-N 1 2 327.266 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/nfs/dbraw/zinc/33/63/97/807336397.db2.gz RBBWQQDHYKYUSA-DLBZAZTESA-N 1 2 344.459 2.053 20 30 EEEDLO C=CCCC[NH+]1CCN(C(=O)c2cn[nH]c2-c2ccccn2)CC1 ZINC001112938573 807650753 /nfs/dbraw/zinc/65/07/53/807650753.db2.gz NPCCAPOZUAYKHL-UHFFFAOYSA-N 1 2 325.416 2.196 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(-c3cccs3)on2)CC1 ZINC001113169546 808347677 /nfs/dbraw/zinc/34/76/77/808347677.db2.gz KMHKVKDWXUKKQC-UHFFFAOYSA-N 1 2 347.440 2.364 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 ZINC001113177184 808378167 /nfs/dbraw/zinc/37/81/67/808378167.db2.gz PAJBLMANXCICAV-UHFFFAOYSA-N 1 2 331.391 2.267 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2c(Cl)cncc2Cl)CC1 ZINC001113292268 808640846 /nfs/dbraw/zinc/64/08/46/808640846.db2.gz UANAAIQMYOZWTG-UHFFFAOYSA-N 1 2 344.242 2.349 20 30 EEEDLO C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)Nc1ncccc1C#N ZINC001113349739 808760551 /nfs/dbraw/zinc/76/05/51/808760551.db2.gz INYOCYOYCUGHDM-RYUDHWBXSA-N 1 2 334.383 2.448 20 30 EEEDLO C=CCCC(=O)N(C)CC(C)(C)CNc1[nH+]cnc2c1cnn2C ZINC001113406321 808916964 /nfs/dbraw/zinc/91/69/64/808916964.db2.gz FXIBOLGQPZHITK-UHFFFAOYSA-N 1 2 330.436 2.226 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](CCOCCC(C)C)CC1 ZINC001113420332 808934143 /nfs/dbraw/zinc/93/41/43/808934143.db2.gz SFZPVANKCKZJOB-ROUUACIJSA-N 1 2 338.492 2.175 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc3ccncc3c2)CC1 ZINC001113495638 809081294 /nfs/dbraw/zinc/08/12/94/809081294.db2.gz QOZDQPYCHFDWCD-UHFFFAOYSA-N 1 2 325.412 2.195 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)nc2C2CC2)[C@@H](O)C1 ZINC001090457880 809451933 /nfs/dbraw/zinc/45/19/33/809451933.db2.gz FCAMDUFABBVMSX-CVEARBPZSA-N 1 2 349.862 2.185 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)nc2C2CC2)[C@@H](O)C1 ZINC001090457880 809451937 /nfs/dbraw/zinc/45/19/37/809451937.db2.gz FCAMDUFABBVMSX-CVEARBPZSA-N 1 2 349.862 2.185 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)nc2C2CC2)[C@@H](O)C1 ZINC001090457883 809452010 /nfs/dbraw/zinc/45/20/10/809452010.db2.gz FCAMDUFABBVMSX-HOTGVXAUSA-N 1 2 349.862 2.185 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)nc2C2CC2)[C@@H](O)C1 ZINC001090457883 809452014 /nfs/dbraw/zinc/45/20/14/809452014.db2.gz FCAMDUFABBVMSX-HOTGVXAUSA-N 1 2 349.862 2.185 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](C[C@H](OC)c2ccccc2)CC1 ZINC001113713441 809619043 /nfs/dbraw/zinc/61/90/43/809619043.db2.gz QDSYEHHOEWRDOL-AEFFLSMTSA-N 1 2 332.444 2.109 20 30 EEEDLO C=CCC1(C(=O)NC[C@@H](C)N(C)c2[nH+]cnc3c2cnn3C)CCC1 ZINC001113853456 809958477 /nfs/dbraw/zinc/95/84/77/809958477.db2.gz DBODBYZDKVMXFB-CYBMUJFWSA-N 1 2 342.447 2.051 20 30 EEEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000792867257 810038159 /nfs/dbraw/zinc/03/81/59/810038159.db2.gz NEKBAQXDJJPQFJ-AWEZNQCLSA-N 1 2 338.411 2.259 20 30 EEEDLO CC[C@H](C#N)Oc1cc(CNC(=O)CCc2c[nH]c[nH+]2)ccc1OC ZINC000793502840 810391272 /nfs/dbraw/zinc/39/12/72/810391272.db2.gz WPSHEICWIMGNHC-OAHLLOKOSA-N 1 2 342.399 2.348 20 30 EEEDLO CC[C@H](C#N)Oc1cc(CNC(=O)CCc2c[nH+]c[nH]2)ccc1OC ZINC000793502840 810391274 /nfs/dbraw/zinc/39/12/74/810391274.db2.gz WPSHEICWIMGNHC-OAHLLOKOSA-N 1 2 342.399 2.348 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3nnc(C)s3)C[C@H]21 ZINC001114160077 810476674 /nfs/dbraw/zinc/47/66/74/810476674.db2.gz QYQBEIRSWDFRIZ-UYHMYPTGSA-N 1 2 332.473 2.148 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3nnc(C)s3)C[C@H]21 ZINC001114160077 810476682 /nfs/dbraw/zinc/47/66/82/810476682.db2.gz QYQBEIRSWDFRIZ-UYHMYPTGSA-N 1 2 332.473 2.148 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nc(C(C)(C)C)no3)C[C@H]21 ZINC001114201839 810581126 /nfs/dbraw/zinc/58/11/26/810581126.db2.gz WEPVCQGCIWOROF-TTZDDIAXSA-N 1 2 344.459 2.278 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nc(C(C)(C)C)no3)C[C@H]21 ZINC001114201839 810581127 /nfs/dbraw/zinc/58/11/27/810581127.db2.gz WEPVCQGCIWOROF-TTZDDIAXSA-N 1 2 344.459 2.278 20 30 EEEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)CCCCCC)CC1 ZINC001131388433 812773927 /nfs/dbraw/zinc/77/39/27/812773927.db2.gz MDAKYCIPMQTRIY-KRWDZBQOSA-N 1 2 337.508 2.429 20 30 EEEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)CCCCCC)CC1 ZINC001131388433 812773933 /nfs/dbraw/zinc/77/39/33/812773933.db2.gz MDAKYCIPMQTRIY-KRWDZBQOSA-N 1 2 337.508 2.429 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)CCSC)C[C@@H](C)O2 ZINC001131623991 813036309 /nfs/dbraw/zinc/03/63/09/813036309.db2.gz FABRHUGJIBAFLQ-HIFRSBDPSA-N 1 2 332.897 2.184 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCSC)C[C@@H](C)O2 ZINC001131623991 813036317 /nfs/dbraw/zinc/03/63/17/813036317.db2.gz FABRHUGJIBAFLQ-HIFRSBDPSA-N 1 2 332.897 2.184 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)COC(C)(C)C)C[C@H](C)O2 ZINC001131650639 813079222 /nfs/dbraw/zinc/07/92/22/813079222.db2.gz VZAGKVXANDRXFG-YOEHRIQHSA-N 1 2 344.883 2.246 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)COC(C)(C)C)C[C@H](C)O2 ZINC001131650639 813079230 /nfs/dbraw/zinc/07/92/30/813079230.db2.gz VZAGKVXANDRXFG-YOEHRIQHSA-N 1 2 344.883 2.246 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001033500407 1194634155 /nfs/dbraw/zinc/63/41/55/1194634155.db2.gz JUZRLZYENXRBHH-VIFPVBQESA-N 1 2 336.745 2.327 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001033500407 1194634156 /nfs/dbraw/zinc/63/41/56/1194634156.db2.gz JUZRLZYENXRBHH-VIFPVBQESA-N 1 2 336.745 2.327 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(COC)CC2)C1 ZINC001437351171 1089565003 /nfs/dbraw/zinc/56/50/03/1089565003.db2.gz RSQSNVOWCFNRNS-CYBMUJFWSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(COC)CC2)C1 ZINC001437351171 1089565012 /nfs/dbraw/zinc/56/50/12/1089565012.db2.gz RSQSNVOWCFNRNS-CYBMUJFWSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CN(C(C)=O)c1ccccc1 ZINC001439407041 1092169135 /nfs/dbraw/zinc/16/91/35/1092169135.db2.gz MVGVUMJJHZDHIF-AWEZNQCLSA-N 1 2 337.851 2.229 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CN(C(C)=O)c1ccccc1 ZINC001439407041 1092169142 /nfs/dbraw/zinc/16/91/42/1092169142.db2.gz MVGVUMJJHZDHIF-AWEZNQCLSA-N 1 2 337.851 2.229 20 30 EEEDLO CC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1ccn(-c2ccccc2F)n1 ZINC001442645260 1097012832 /nfs/dbraw/zinc/01/28/32/1097012832.db2.gz APBZEOKRVQGQKQ-AWEZNQCLSA-N 1 2 343.406 2.109 20 30 EEEDLO CC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1ccn(-c2ccccc2F)n1 ZINC001442645260 1097012839 /nfs/dbraw/zinc/01/28/39/1097012839.db2.gz APBZEOKRVQGQKQ-AWEZNQCLSA-N 1 2 343.406 2.109 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2(NC(C)=O)CCCCC2)C1 ZINC001443808041 1098299755 /nfs/dbraw/zinc/29/97/55/1098299755.db2.gz IIIWBHRKSYAJQE-OAHLLOKOSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(NC(C)=O)CCCCC2)C1 ZINC001443808041 1098299763 /nfs/dbraw/zinc/29/97/63/1098299763.db2.gz IIIWBHRKSYAJQE-OAHLLOKOSA-N 1 2 341.883 2.111 20 30 EEEDLO CC(C)[C@@H](C)C(=O)NCC[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC001479938825 1099358364 /nfs/dbraw/zinc/35/83/64/1099358364.db2.gz MWRWAQASWXQARP-QGZVFWFLSA-N 1 2 342.487 2.084 20 30 EEEDLO CC(C)c1noc([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)c2cc(C#N)c[nH]2)n1 ZINC001496031152 1101956890 /nfs/dbraw/zinc/95/68/90/1101956890.db2.gz KMHPSTQTMKSUEL-RYUDHWBXSA-N 1 2 344.419 2.204 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCOC1 ZINC001447326564 1102454573 /nfs/dbraw/zinc/45/45/73/1102454573.db2.gz JUVQHWURDYYELU-ZDUSSCGKSA-N 1 2 333.270 2.102 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCCOC1 ZINC001447326564 1102454579 /nfs/dbraw/zinc/45/45/79/1102454579.db2.gz JUVQHWURDYYELU-ZDUSSCGKSA-N 1 2 333.270 2.102 20 30 EEEDLO C[C@H](CNC(=O)c1[nH]nc2c1CCC2)[N@H+](C)Cc1cccc(C#N)c1 ZINC001448041402 1103872930 /nfs/dbraw/zinc/87/29/30/1103872930.db2.gz NHDQNPXHUYEHKR-CYBMUJFWSA-N 1 2 337.427 2.020 20 30 EEEDLO C[C@H](CNC(=O)c1[nH]nc2c1CCC2)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001448041402 1103872935 /nfs/dbraw/zinc/87/29/35/1103872935.db2.gz NHDQNPXHUYEHKR-CYBMUJFWSA-N 1 2 337.427 2.020 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC001448101239 1104003623 /nfs/dbraw/zinc/00/36/23/1104003623.db2.gz IUCSNIFQCXVSNH-LBPRGKRZSA-N 1 2 337.851 2.469 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC001448101239 1104003634 /nfs/dbraw/zinc/00/36/34/1104003634.db2.gz IUCSNIFQCXVSNH-LBPRGKRZSA-N 1 2 337.851 2.469 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001494754737 1104336188 /nfs/dbraw/zinc/33/61/88/1104336188.db2.gz OTVBMSHKTYVRPH-IUODEOHRSA-N 1 2 338.810 2.208 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001494754737 1104336201 /nfs/dbraw/zinc/33/62/01/1104336201.db2.gz OTVBMSHKTYVRPH-IUODEOHRSA-N 1 2 338.810 2.208 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1conc1C ZINC001502369802 1113648888 /nfs/dbraw/zinc/64/88/88/1113648888.db2.gz YRLNBJSUQZJCJJ-UHFFFAOYSA-N 1 2 330.226 2.286 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1conc1C ZINC001502369802 1113648889 /nfs/dbraw/zinc/64/88/89/1113648889.db2.gz YRLNBJSUQZJCJJ-UHFFFAOYSA-N 1 2 330.226 2.286 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1ccc(OC)c(OC)c1 ZINC001506047933 1114373767 /nfs/dbraw/zinc/37/37/67/1114373767.db2.gz IQESERVTMBEHCE-CYBMUJFWSA-N 1 2 340.851 2.435 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1ccc(OC)c(OC)c1 ZINC001506047933 1114373768 /nfs/dbraw/zinc/37/37/68/1114373768.db2.gz IQESERVTMBEHCE-CYBMUJFWSA-N 1 2 340.851 2.435 20 30 EEEDLO Cc1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001511773560 1118242295 /nfs/dbraw/zinc/24/22/95/1118242295.db2.gz CMDSQQFFIYKOHX-HNNXBMFYSA-N 1 2 349.442 2.476 20 30 EEEDLO CC[C@H](C(=O)[C@@H](C#N)C(=O)Nc1ccccc1OC)[NH+](CC)CC ZINC001523875043 1119905876 /nfs/dbraw/zinc/90/58/76/1119905876.db2.gz NSUPNRGQIXNQPD-UKRRQHHQSA-N 1 2 331.416 2.463 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)c1ccc2[nH]nnc2c1 ZINC001568503528 1124559235 /nfs/dbraw/zinc/55/92/35/1124559235.db2.gz DNNINSFUDPXVRF-UHFFFAOYSA-N 1 2 348.410 2.034 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)c1ccc2[nH]nnc2c1 ZINC001568503528 1124559242 /nfs/dbraw/zinc/55/92/42/1124559242.db2.gz DNNINSFUDPXVRF-UHFFFAOYSA-N 1 2 348.410 2.034 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCc4ccccc4C3)C2=O)cc1 ZINC000102936427 219242676 /nfs/dbraw/zinc/24/26/76/219242676.db2.gz CRTWBFUWGAOBHV-GOSISDBHSA-N 1 2 331.375 2.248 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CCc4ccccc4C3)C2=O)cc1 ZINC000102936427 219242679 /nfs/dbraw/zinc/24/26/79/219242679.db2.gz CRTWBFUWGAOBHV-GOSISDBHSA-N 1 2 331.375 2.248 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333199752 539801708 /nfs/dbraw/zinc/80/17/08/539801708.db2.gz QSFJJISUOOTCQW-SJORKVTESA-N 1 2 344.459 2.452 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351928315 238207499 /nfs/dbraw/zinc/20/74/99/238207499.db2.gz SFVWQSPFIJLFDV-GUTXKFCHSA-N 1 2 333.457 2.332 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351928315 238207507 /nfs/dbraw/zinc/20/75/07/238207507.db2.gz SFVWQSPFIJLFDV-GUTXKFCHSA-N 1 2 333.457 2.332 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000266531496 248348123 /nfs/dbraw/zinc/34/81/23/248348123.db2.gz FVEVYOULPWEQHL-NEPJUHHUSA-N 1 2 330.388 2.087 20 30 EEEDLO CCN(CC)C(=O)CN1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118532551 221154192 /nfs/dbraw/zinc/15/41/92/221154192.db2.gz KVCIIFQYGMHMMH-INIZCTEOSA-N 1 2 328.460 2.105 20 30 EEEDLO CCN(CC)C(=O)C[NH+]1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118532551 221154193 /nfs/dbraw/zinc/15/41/93/221154193.db2.gz KVCIIFQYGMHMMH-INIZCTEOSA-N 1 2 328.460 2.105 20 30 EEEDLO Cc1nnc([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)s1 ZINC000273702430 256319739 /nfs/dbraw/zinc/31/97/39/256319739.db2.gz NWQDGKVPOWAGOS-LDYMZIIASA-N 1 2 333.442 2.236 20 30 EEEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000491703287 533286281 /nfs/dbraw/zinc/28/62/81/533286281.db2.gz SJMPSAOMQFOHKR-XPTSAGLGSA-N 1 2 325.821 2.080 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000491703287 533286286 /nfs/dbraw/zinc/28/62/86/533286286.db2.gz SJMPSAOMQFOHKR-XPTSAGLGSA-N 1 2 325.821 2.080 20 30 EEEDLO C#C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000491786359 533323531 /nfs/dbraw/zinc/32/35/31/533323531.db2.gz SYWBUMSXMSLUDY-KRWDZBQOSA-N 1 2 338.386 2.427 20 30 EEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000120815462 142398260 /nfs/dbraw/zinc/39/82/60/142398260.db2.gz ZWYWNJRNDBIWDR-MRXNPFEDSA-N 1 2 345.468 2.107 20 30 EEEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000120815462 142398263 /nfs/dbraw/zinc/39/82/63/142398263.db2.gz ZWYWNJRNDBIWDR-MRXNPFEDSA-N 1 2 345.468 2.107 20 30 EEEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cccc(OC(F)F)c2)C(N)=O)cc1 ZINC000115598784 152032011 /nfs/dbraw/zinc/03/20/11/152032011.db2.gz SYLKRHGOJZYLCX-OAHLLOKOSA-N 1 2 331.322 2.476 20 30 EEEDLO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115596387 152033511 /nfs/dbraw/zinc/03/35/11/152033511.db2.gz UBJOLSZODJSZFG-KPZWWZAWSA-N 1 2 336.395 2.394 20 30 EEEDLO C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)C(=O)Nc1cccc(C#N)c1 ZINC000172612885 152101113 /nfs/dbraw/zinc/10/11/13/152101113.db2.gz JYILPSIMOPHGMQ-QWHCGFSZSA-N 1 2 334.383 2.279 20 30 EEEDLO CC[C@H](C(=O)OC)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000195465945 160213554 /nfs/dbraw/zinc/21/35/54/160213554.db2.gz KSLWYCHKJXYOHD-QGZVFWFLSA-N 1 2 338.411 2.180 20 30 EEEDLO N#Cc1cccc(CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000342233949 161049673 /nfs/dbraw/zinc/04/96/73/161049673.db2.gz PMVFBHITXDOKLH-UHFFFAOYSA-N 1 2 335.411 2.028 20 30 EEEDLO CSc1nc(C2CC2)cc(C(=O)NCc2[nH+]ccn2C)c1C#N ZINC000343314106 161123493 /nfs/dbraw/zinc/12/34/93/161123493.db2.gz UPQHJNCCTCQUEM-UHFFFAOYSA-N 1 2 327.413 2.216 20 30 EEEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)n2)c1 ZINC000344156392 161203055 /nfs/dbraw/zinc/20/30/55/161203055.db2.gz ULYATDJUYISSIS-HNNXBMFYSA-N 1 2 346.394 2.024 20 30 EEEDLO Cc1noc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000355326319 163146862 /nfs/dbraw/zinc/14/68/62/163146862.db2.gz TXTGNRDBZDFMAH-XHDPSFHLSA-N 1 2 325.372 2.096 20 30 EEEDLO Cc1[nH+]c2ccc(C(=O)NCC(=O)c3ccc(C#N)cc3)cc2n1C ZINC000356162120 163354789 /nfs/dbraw/zinc/35/47/89/163354789.db2.gz KHASZHXRQGMQOM-UHFFFAOYSA-N 1 2 332.363 2.366 20 30 EEEDLO CCC[C@H](C)CS(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000330743455 266076081 /nfs/dbraw/zinc/07/60/81/266076081.db2.gz COIXHAMARPFIIQ-INIZCTEOSA-N 1 2 349.500 2.442 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC(=O)N1 ZINC000295000349 267056674 /nfs/dbraw/zinc/05/66/74/267056674.db2.gz LIBZISOQTOJBHA-OAHLLOKOSA-N 1 2 335.407 2.458 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC(=O)N1 ZINC000295000349 267056678 /nfs/dbraw/zinc/05/66/78/267056678.db2.gz LIBZISOQTOJBHA-OAHLLOKOSA-N 1 2 335.407 2.458 20 30 EEEDLO Cc1cc(N2CCN(c3nccnc3C#N)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000301668777 267338745 /nfs/dbraw/zinc/33/87/45/267338745.db2.gz PKZYJBFFHXNKAH-CQSZACIVSA-N 1 2 337.431 2.285 20 30 EEEDLO N#Cc1ccc(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000299544654 268057322 /nfs/dbraw/zinc/05/73/22/268057322.db2.gz PKSKYVGSWXHJRT-FQEVSTJZSA-N 1 2 349.434 2.118 20 30 EEEDLO N#Cc1ccc(CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000299544654 268057326 /nfs/dbraw/zinc/05/73/26/268057326.db2.gz PKSKYVGSWXHJRT-FQEVSTJZSA-N 1 2 349.434 2.118 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000326535649 268138846 /nfs/dbraw/zinc/13/88/46/268138846.db2.gz PJRUBWGEEPHVKG-OAHLLOKOSA-N 1 2 341.333 2.276 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000326535649 268138848 /nfs/dbraw/zinc/13/88/48/268138848.db2.gz PJRUBWGEEPHVKG-OAHLLOKOSA-N 1 2 341.333 2.276 20 30 EEEDLO N#Cc1ccc(OC2CCC(NC(=O)CCc3[nH]cc[nH+]3)CC2)nc1 ZINC000288430947 268164912 /nfs/dbraw/zinc/16/49/12/268164912.db2.gz KOUDUPBYKZHUHL-UHFFFAOYSA-N 1 2 339.399 2.115 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000521033632 268174900 /nfs/dbraw/zinc/17/49/00/268174900.db2.gz RLODJBXDIONRFS-NSHDSACASA-N 1 2 332.205 2.428 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000521033632 268174903 /nfs/dbraw/zinc/17/49/03/268174903.db2.gz RLODJBXDIONRFS-NSHDSACASA-N 1 2 332.205 2.428 20 30 EEEDLO Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000180243277 300911826 /nfs/dbraw/zinc/91/18/26/300911826.db2.gz PPUBRTFIXCOZIH-MRXNPFEDSA-N 1 2 328.416 2.195 20 30 EEEDLO Cc1nnc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000542611750 318133626 /nfs/dbraw/zinc/13/36/26/318133626.db2.gz LERNDEXYUHKLPV-NHYWBVRUSA-N 1 2 325.372 2.096 20 30 EEEDLO N#Cc1ccc(CSCC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548311093 318374145 /nfs/dbraw/zinc/37/41/45/318374145.db2.gz YONFNLFQGGJZHH-OAHLLOKOSA-N 1 2 326.425 2.119 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)c(F)c1 ZINC000576350706 320164433 /nfs/dbraw/zinc/16/44/33/320164433.db2.gz PMXYXGJWIAHKGG-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO CCc1nsc(N2CCC[N@H+](Cc3ccc(C#N)cn3)CC2)n1 ZINC000578074998 320293111 /nfs/dbraw/zinc/29/31/11/320293111.db2.gz OMNPFSJIUIKOGY-UHFFFAOYSA-N 1 2 328.445 2.079 20 30 EEEDLO CCc1nsc(N2CCC[N@@H+](Cc3ccc(C#N)cn3)CC2)n1 ZINC000578074998 320293112 /nfs/dbraw/zinc/29/31/12/320293112.db2.gz OMNPFSJIUIKOGY-UHFFFAOYSA-N 1 2 328.445 2.079 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000529845077 448982598 /nfs/dbraw/zinc/98/25/98/448982598.db2.gz GBFCSIOHHYPGNH-CABCVRRESA-N 1 2 332.448 2.418 20 30 EEEDLO Cc1cc(NC(=O)NCC[NH+]2Cc3ccccc3C2)nn1CCC#N ZINC000611481304 449301881 /nfs/dbraw/zinc/30/18/81/449301881.db2.gz NMNHEXOATRXTMN-UHFFFAOYSA-N 1 2 338.415 2.243 20 30 EEEDLO O=C(Nc1scnc1C1CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000328912594 465164507 /nfs/dbraw/zinc/16/45/07/465164507.db2.gz HJBGBKLZNGGXBT-ZDUSSCGKSA-N 1 2 336.461 2.363 20 30 EEEDLO CC(C)(C)[C@@H]1C[C@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC000328953052 465180870 /nfs/dbraw/zinc/18/08/70/465180870.db2.gz XWLGOFBTYNYZQQ-CABCVRRESA-N 1 2 341.496 2.195 20 30 EEEDLO CC(C)(C)[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC000328953052 465180874 /nfs/dbraw/zinc/18/08/74/465180874.db2.gz XWLGOFBTYNYZQQ-CABCVRRESA-N 1 2 341.496 2.195 20 30 EEEDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)N[C@@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000328962079 465184118 /nfs/dbraw/zinc/18/41/18/465184118.db2.gz KZWHQMQKZFXAJU-ZACQAIPSSA-N 1 2 342.443 2.323 20 30 EEEDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)N[C@@H]3CCCc4ccccc43)CC[C@@H]21 ZINC000328962079 465184121 /nfs/dbraw/zinc/18/41/21/465184121.db2.gz KZWHQMQKZFXAJU-ZACQAIPSSA-N 1 2 342.443 2.323 20 30 EEEDLO CC[C@](C)(C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000354943409 465214843 /nfs/dbraw/zinc/21/48/43/465214843.db2.gz RFFPBGMQKZZLPB-RHSMWYFYSA-N 1 2 333.436 2.131 20 30 EEEDLO CC[C@](C)(C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000354943409 465214849 /nfs/dbraw/zinc/21/48/49/465214849.db2.gz RFFPBGMQKZZLPB-RHSMWYFYSA-N 1 2 333.436 2.131 20 30 EEEDLO C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000329116505 465239005 /nfs/dbraw/zinc/23/90/05/465239005.db2.gz NKMAQYVWKRRUQO-WCQYABFASA-N 1 2 330.388 2.413 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)N(CC)C2CCCCC2)C1=O ZINC000337225539 465253904 /nfs/dbraw/zinc/25/39/04/465253904.db2.gz OKAXEXFENIWTDG-DOTOQJQBSA-N 1 2 335.492 2.275 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)N(CC)C2CCCCC2)C1=O ZINC000337225539 465253912 /nfs/dbraw/zinc/25/39/12/465253912.db2.gz OKAXEXFENIWTDG-DOTOQJQBSA-N 1 2 335.492 2.275 20 30 EEEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000329205188 465266404 /nfs/dbraw/zinc/26/64/04/465266404.db2.gz DIIKLKCMKHHRLY-AWEZNQCLSA-N 1 2 347.850 2.281 20 30 EEEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000329205188 465266410 /nfs/dbraw/zinc/26/64/10/465266410.db2.gz DIIKLKCMKHHRLY-AWEZNQCLSA-N 1 2 347.850 2.281 20 30 EEEDLO C=C(C)CN(CC)C(=O)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000297925451 465274420 /nfs/dbraw/zinc/27/44/20/465274420.db2.gz RYWMHVWJPLXZOX-UHFFFAOYSA-N 1 2 333.432 2.090 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccncn2)CC1 ZINC000298067885 465291095 /nfs/dbraw/zinc/29/10/95/465291095.db2.gz GVPUFQFPVHMBTG-SFHVURJKSA-N 1 2 336.395 2.442 20 30 EEEDLO CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000329310999 465295874 /nfs/dbraw/zinc/29/58/74/465295874.db2.gz RASOZXDUWAKIPV-UHFFFAOYSA-N 1 2 331.416 2.089 20 30 EEEDLO CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CCOCC3(CC3)C2)c1 ZINC000329310999 465295881 /nfs/dbraw/zinc/29/58/81/465295881.db2.gz RASOZXDUWAKIPV-UHFFFAOYSA-N 1 2 331.416 2.089 20 30 EEEDLO N#Cc1ccc(/C=C\C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000490951241 468275266 /nfs/dbraw/zinc/27/52/66/468275266.db2.gz XJWQWPXRQRAIEX-WAYWQWQTSA-N 1 2 348.406 2.119 20 30 EEEDLO C#CCNC(=O)C1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000491099386 468301110 /nfs/dbraw/zinc/30/11/10/468301110.db2.gz AUUZMPRTTDNUQY-UHFFFAOYSA-N 1 2 326.227 2.350 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3sccc3C)n2CC=C)CC1 ZINC000491103755 468301382 /nfs/dbraw/zinc/30/13/82/468301382.db2.gz QBJAWEBADBCVMH-UHFFFAOYSA-N 1 2 327.457 2.256 20 30 EEEDLO O=C(N[C@@H]1CC[C@H](F)C1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000329699927 465410253 /nfs/dbraw/zinc/41/02/53/465410253.db2.gz GIXHOQZYVCAKSH-LSDHHAIUSA-N 1 2 345.422 2.257 20 30 EEEDLO CCOc1ccc(O)c(/C=[NH+]/C2CCN(C(=O)CCOC)CC2)c1 ZINC000128482082 462643493 /nfs/dbraw/zinc/64/34/93/462643493.db2.gz HZJWDRSFPFRXFS-CPNJWEJPSA-N 1 2 334.416 2.237 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000130168792 462743493 /nfs/dbraw/zinc/74/34/93/462743493.db2.gz GTFSYNRRNSWOAX-AWEZNQCLSA-N 1 2 326.437 2.067 20 30 EEEDLO C=CC[N@H+](Cc1ccc(N(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000130168792 462743497 /nfs/dbraw/zinc/74/34/97/462743497.db2.gz GTFSYNRRNSWOAX-AWEZNQCLSA-N 1 2 326.437 2.067 20 30 EEEDLO Cc1csc(N2CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)n1 ZINC000047891196 462833214 /nfs/dbraw/zinc/83/32/14/462833214.db2.gz VCRCUQWXEISSSZ-PBHICJAKSA-N 1 2 349.504 2.017 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000048418351 462907516 /nfs/dbraw/zinc/90/75/16/462907516.db2.gz GLEYSNWRZATNOU-UHFFFAOYSA-N 1 2 329.444 2.018 20 30 EEEDLO C[C@H]1CCC[C@](C#N)(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000133780708 462970169 /nfs/dbraw/zinc/97/01/69/462970169.db2.gz GKRGXRHFSSFVAQ-QRFRQXIXSA-N 1 2 341.455 2.476 20 30 EEEDLO C[C@H]1CCC[C@](C#N)(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000133780708 462970172 /nfs/dbraw/zinc/97/01/72/462970172.db2.gz GKRGXRHFSSFVAQ-QRFRQXIXSA-N 1 2 341.455 2.476 20 30 EEEDLO C[C@@H]1C[C@]1(C#N)C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000590758632 468329958 /nfs/dbraw/zinc/32/99/58/468329958.db2.gz VGWNDXCFQRZANR-QSOKESPWSA-N 1 2 327.428 2.066 20 30 EEEDLO C[C@@H]1C[C@]1(C#N)C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000590758632 468329961 /nfs/dbraw/zinc/32/99/61/468329961.db2.gz VGWNDXCFQRZANR-QSOKESPWSA-N 1 2 327.428 2.066 20 30 EEEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2)cc1 ZINC000156134910 462983767 /nfs/dbraw/zinc/98/37/67/462983767.db2.gz DALFQONKTHSXKD-IBGZPJMESA-N 1 2 348.406 2.060 20 30 EEEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCNC(=O)[C@@H]2c2ccccc2)cc1 ZINC000156134910 462983771 /nfs/dbraw/zinc/98/37/71/462983771.db2.gz DALFQONKTHSXKD-IBGZPJMESA-N 1 2 348.406 2.060 20 30 EEEDLO C=CC[N@@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)Cc1ccccc1 ZINC000051400852 463035282 /nfs/dbraw/zinc/03/52/82/463035282.db2.gz QEBWXZBYAYSNNV-QGZVFWFLSA-N 1 2 343.471 2.192 20 30 EEEDLO C=CC[N@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)Cc1ccccc1 ZINC000051400852 463035285 /nfs/dbraw/zinc/03/52/85/463035285.db2.gz QEBWXZBYAYSNNV-QGZVFWFLSA-N 1 2 343.471 2.192 20 30 EEEDLO C#C[C@H](C)N(C)C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000491255306 468334149 /nfs/dbraw/zinc/33/41/49/468334149.db2.gz WPZKDSIEUZWBBK-AWEZNQCLSA-N 1 2 348.406 2.020 20 30 EEEDLO C=C(C)COCCNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000135010432 463106226 /nfs/dbraw/zinc/10/62/26/463106226.db2.gz HUOBZMAWKYKJIQ-HNNXBMFYSA-N 1 2 341.402 2.459 20 30 EEEDLO CC#CC[NH+]1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000157402535 463127742 /nfs/dbraw/zinc/12/77/42/463127742.db2.gz NDSPXCNJAYTGPH-UHFFFAOYSA-N 1 2 342.830 2.031 20 30 EEEDLO CC(C)CCNC(=O)[C@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029859730 463275725 /nfs/dbraw/zinc/27/57/25/463275725.db2.gz YMPWOBIDJIEEKI-HNNXBMFYSA-N 1 2 346.450 2.370 20 30 EEEDLO C#C[C@H]1COCCN1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000491339399 468353732 /nfs/dbraw/zinc/35/37/32/468353732.db2.gz PPLWDZDIDWENJI-INIZCTEOSA-N 1 2 348.406 2.468 20 30 EEEDLO Cc1nc(C2([NH2+]CC(=O)N[C@](C)(C#N)C3CC3)CCCCCC2)no1 ZINC000069950080 463356711 /nfs/dbraw/zinc/35/67/11/463356711.db2.gz CINFDLNTNFNXPH-QGZVFWFLSA-N 1 2 345.447 2.326 20 30 EEEDLO N#CC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCCC1 ZINC000032250937 463368855 /nfs/dbraw/zinc/36/88/55/463368855.db2.gz PGOXYWPFKXCQGB-QGZVFWFLSA-N 1 2 327.428 2.088 20 30 EEEDLO N#CC1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCC1 ZINC000032250937 463368859 /nfs/dbraw/zinc/36/88/59/463368859.db2.gz PGOXYWPFKXCQGB-QGZVFWFLSA-N 1 2 327.428 2.088 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cnn(C)c1 ZINC000161056044 463395116 /nfs/dbraw/zinc/39/51/16/463395116.db2.gz CUNDMLGHAFLOIV-OAHLLOKOSA-N 1 2 325.416 2.187 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cnn(C)c1 ZINC000161056044 463395122 /nfs/dbraw/zinc/39/51/22/463395122.db2.gz CUNDMLGHAFLOIV-OAHLLOKOSA-N 1 2 325.416 2.187 20 30 EEEDLO Cc1cc(NC(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)no1 ZINC000104715451 463418623 /nfs/dbraw/zinc/41/86/23/463418623.db2.gz PZJMBPQRQBRVSN-UHFFFAOYSA-N 1 2 340.383 2.337 20 30 EEEDLO CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1[nH+]ccn1C ZINC000162028828 463479084 /nfs/dbraw/zinc/47/90/84/463479084.db2.gz KERPCCJIHRKQFS-UHFFFAOYSA-N 1 2 345.834 2.452 20 30 EEEDLO C=CCOc1ccc(C[N@@H+](CC(=O)OC)C2CCOCC2)cc1OC ZINC000537650824 468362076 /nfs/dbraw/zinc/36/20/76/468362076.db2.gz SSNLMJGJFZGFAJ-UHFFFAOYSA-N 1 2 349.427 2.414 20 30 EEEDLO C=CCOc1ccc(C[N@H+](CC(=O)OC)C2CCOCC2)cc1OC ZINC000537650824 468362080 /nfs/dbraw/zinc/36/20/80/468362080.db2.gz SSNLMJGJFZGFAJ-UHFFFAOYSA-N 1 2 349.427 2.414 20 30 EEEDLO N#Cc1ccc(SCC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000152392478 463684308 /nfs/dbraw/zinc/68/43/08/463684308.db2.gz COFPRDZGZVCYQD-HNNXBMFYSA-N 1 2 338.436 2.440 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN([C@H](C)c2ccsc2)CC1 ZINC000185491818 463832186 /nfs/dbraw/zinc/83/21/86/463832186.db2.gz LLFFTARLFXPERK-HUUCEWRRSA-N 1 2 334.489 2.187 20 30 EEEDLO N#CCCCCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000171738821 463916041 /nfs/dbraw/zinc/91/60/41/463916041.db2.gz JSXGPLRXZGLNES-UHFFFAOYSA-N 1 2 325.416 2.467 20 30 EEEDLO N#CCCCCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000171732365 463916242 /nfs/dbraw/zinc/91/62/42/463916242.db2.gz XSQJHSLEMFNSJH-KRWDZBQOSA-N 1 2 330.432 2.053 20 30 EEEDLO C#Cc1cccc(NC(=O)CN(C)c2cc(N3CCCC3)[nH+]cn2)c1 ZINC000277738587 463930690 /nfs/dbraw/zinc/93/06/90/463930690.db2.gz IXCXEFIUTUXIJM-UHFFFAOYSA-N 1 2 335.411 2.133 20 30 EEEDLO C#Cc1cccc(NC(=O)CN(C)c2cc(N3CCCC3)nc[nH+]2)c1 ZINC000277738587 463930693 /nfs/dbraw/zinc/93/06/93/463930693.db2.gz IXCXEFIUTUXIJM-UHFFFAOYSA-N 1 2 335.411 2.133 20 30 EEEDLO C#CCOc1ccccc1C[NH2+]Cc1c(Br)cnn1C ZINC000278474817 463966203 /nfs/dbraw/zinc/96/62/03/463966203.db2.gz JXFMEMNULRQANC-UHFFFAOYSA-N 1 2 334.217 2.484 20 30 EEEDLO Cc1[nH]nc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1C#N ZINC000278741506 463978592 /nfs/dbraw/zinc/97/85/92/463978592.db2.gz WBWJHWAUKBKQGO-OAHLLOKOSA-N 1 2 341.440 2.318 20 30 EEEDLO CC(C)(C)Oc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cn1 ZINC000351910983 465437633 /nfs/dbraw/zinc/43/76/33/465437633.db2.gz UDSWDROHBPWWRT-KRWDZBQOSA-N 1 2 338.411 2.447 20 30 EEEDLO O=C(NCCOC1CCCCC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329796831 465437687 /nfs/dbraw/zinc/43/76/87/465437687.db2.gz HDEOKABKCMZQMQ-MRXNPFEDSA-N 1 2 339.480 2.046 20 30 EEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178859114 463995031 /nfs/dbraw/zinc/99/50/31/463995031.db2.gz DULXPGQNQAZKJB-UHFFFAOYSA-N 1 2 346.799 2.338 20 30 EEEDLO C#C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)C(C)(C)C ZINC000289079557 464066865 /nfs/dbraw/zinc/06/68/65/464066865.db2.gz OAZIFBVPXLOOAQ-GOSISDBHSA-N 1 2 343.471 2.366 20 30 EEEDLO Cn1c[nH+]cc1CNC(=O)NCCSCc1ccccc1C#N ZINC000290691742 464129530 /nfs/dbraw/zinc/12/95/30/464129530.db2.gz MNBXRVWJCQIGIN-UHFFFAOYSA-N 1 2 329.429 2.024 20 30 EEEDLO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000263700103 464158172 /nfs/dbraw/zinc/15/81/72/464158172.db2.gz LKVAUYOOXRFJDW-QGZVFWFLSA-N 1 2 340.471 2.327 20 30 EEEDLO COc1c(C)cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1C ZINC000179913747 464207431 /nfs/dbraw/zinc/20/74/31/464207431.db2.gz MHWIIIWKAAQVCR-UHFFFAOYSA-N 1 2 345.443 2.000 20 30 EEEDLO Cc1nc([C@H](C)N2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)no1 ZINC000329849996 465452083 /nfs/dbraw/zinc/45/20/83/465452083.db2.gz QCDXYFTVYLCKBB-STQMWFEESA-N 1 2 335.452 2.344 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)Nc2c[nH+]ccc2N2CCCC2)c(F)c1 ZINC000579720491 468401748 /nfs/dbraw/zinc/40/17/48/468401748.db2.gz ZFEGLXZWCSRTGG-UHFFFAOYSA-N 1 2 346.387 2.493 20 30 EEEDLO C=CCN1CC[C@@H]([NH+]2CCC(O)(c3c(F)cccc3F)CC2)C1=O ZINC000281199727 464367917 /nfs/dbraw/zinc/36/79/17/464367917.db2.gz CHUDTCAMYHGXSA-OAHLLOKOSA-N 1 2 336.382 2.035 20 30 EEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000174223895 464379679 /nfs/dbraw/zinc/37/96/79/464379679.db2.gz ZAJXOJNPETWABK-STQMWFEESA-N 1 2 332.404 2.235 20 30 EEEDLO COc1ccc([C@@H](NC(=O)c2c[nH]c(C#N)c2)c2[nH+]ccn2C)cc1 ZINC000181178520 464454140 /nfs/dbraw/zinc/45/41/40/464454140.db2.gz NPOUGTYJNXTFOC-MRXNPFEDSA-N 1 2 335.367 2.148 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCCOc2cccc([N+](=O)[O-])c2)cs1 ZINC000181593275 464510500 /nfs/dbraw/zinc/51/05/00/464510500.db2.gz FENQFVGKGDPZKM-UHFFFAOYSA-N 1 2 336.373 2.270 20 30 EEEDLO N#CCN1CC[NH+](Cc2c[nH]c(C(=O)OCc3ccccc3)c2)CC1 ZINC000294727962 464586422 /nfs/dbraw/zinc/58/64/22/464586422.db2.gz GOXFUZUYCLKRGH-UHFFFAOYSA-N 1 2 338.411 2.013 20 30 EEEDLO CCOCCOC1C[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000272401500 464593495 /nfs/dbraw/zinc/59/34/95/464593495.db2.gz JFHJFJZKHFTPQT-UHFFFAOYSA-N 1 2 340.427 2.196 20 30 EEEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000246967415 464636993 /nfs/dbraw/zinc/63/69/93/464636993.db2.gz GKRGXRHFSSFVAQ-YVWKXTFCSA-N 1 2 341.455 2.476 20 30 EEEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000246967415 464637003 /nfs/dbraw/zinc/63/70/03/464637003.db2.gz GKRGXRHFSSFVAQ-YVWKXTFCSA-N 1 2 341.455 2.476 20 30 EEEDLO COC(=O)N1CCN(c2ccc(N[C@@H]3CCC[C@@H](C#N)C3)c[nH+]2)CC1 ZINC000295123515 464713659 /nfs/dbraw/zinc/71/36/59/464713659.db2.gz YWRGZQFPVGIVIY-HUUCEWRRSA-N 1 2 343.431 2.464 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cn(C)nc2C(F)F)c1 ZINC000274485681 464746144 /nfs/dbraw/zinc/74/61/44/464746144.db2.gz NSECCRCPMSLOEP-UHFFFAOYSA-N 1 2 332.354 2.410 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cn(C)nc2C(F)F)c1 ZINC000274485681 464746148 /nfs/dbraw/zinc/74/61/48/464746148.db2.gz NSECCRCPMSLOEP-UHFFFAOYSA-N 1 2 332.354 2.410 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000176365735 464758056 /nfs/dbraw/zinc/75/80/56/464758056.db2.gz SZMZUBJSKLMLEO-CYBMUJFWSA-N 1 2 336.374 2.070 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000176365735 464758062 /nfs/dbraw/zinc/75/80/62/464758062.db2.gz SZMZUBJSKLMLEO-CYBMUJFWSA-N 1 2 336.374 2.070 20 30 EEEDLO Cc1ccccc1CN(C)C(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000266186431 464767378 /nfs/dbraw/zinc/76/73/78/464767378.db2.gz HIVMAJHDMZJTMQ-OAHLLOKOSA-N 1 2 335.448 2.303 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000249537773 464886096 /nfs/dbraw/zinc/88/60/96/464886096.db2.gz CYLOVZWXAJCBTA-GYSYKLTISA-N 1 2 333.457 2.138 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000249537773 464886099 /nfs/dbraw/zinc/88/60/99/464886099.db2.gz CYLOVZWXAJCBTA-GYSYKLTISA-N 1 2 333.457 2.138 20 30 EEEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1ccccc1C#N ZINC000192244872 464893324 /nfs/dbraw/zinc/89/33/24/464893324.db2.gz VUJDHXDRTNTVMI-UHFFFAOYSA-N 1 2 346.456 2.418 20 30 EEEDLO C=CC1CCN(C(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000177012184 464906533 /nfs/dbraw/zinc/90/65/33/464906533.db2.gz ZSSHDKVRMUTYBZ-UHFFFAOYSA-N 1 2 338.411 2.450 20 30 EEEDLO CCOCc1ccc(CNC(=O)C[N@H+](CCC#N)CC2CC2)cc1 ZINC000267053360 464914988 /nfs/dbraw/zinc/91/49/88/464914988.db2.gz GSFKOSXLQBYWEE-UHFFFAOYSA-N 1 2 329.444 2.465 20 30 EEEDLO CCOCc1ccc(CNC(=O)C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000267053360 464914991 /nfs/dbraw/zinc/91/49/91/464914991.db2.gz GSFKOSXLQBYWEE-UHFFFAOYSA-N 1 2 329.444 2.465 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)C[C@H]2CCCCO2)cn1 ZINC000329987830 465498246 /nfs/dbraw/zinc/49/82/46/465498246.db2.gz SXIRCBUUFQOPOE-HRCADAONSA-N 1 2 338.427 2.248 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)C[C@H]2CCCCO2)cn1 ZINC000329987830 465498249 /nfs/dbraw/zinc/49/82/49/465498249.db2.gz SXIRCBUUFQOPOE-HRCADAONSA-N 1 2 338.427 2.248 20 30 EEEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1O ZINC000177217292 464960055 /nfs/dbraw/zinc/96/00/55/464960055.db2.gz ZTBSLYQIQWORMB-UHFFFAOYSA-N 1 2 325.368 2.343 20 30 EEEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1O ZINC000177217292 464960061 /nfs/dbraw/zinc/96/00/61/464960061.db2.gz ZTBSLYQIQWORMB-UHFFFAOYSA-N 1 2 325.368 2.343 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000184607151 465008225 /nfs/dbraw/zinc/00/82/25/465008225.db2.gz APISIBUNXZZJRV-CVEARBPZSA-N 1 2 348.516 2.411 20 30 EEEDLO O=C(N[C@@H]1CN(c2ccccc2)C1=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329388277 465318696 /nfs/dbraw/zinc/31/86/96/465318696.db2.gz RGJIQVPWLBERKJ-IAGOWNOFSA-N 1 2 343.427 2.002 20 30 EEEDLO O=C(N[C@@H]1CN(c2ccccc2)C1=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329388277 465318704 /nfs/dbraw/zinc/31/87/04/465318704.db2.gz RGJIQVPWLBERKJ-IAGOWNOFSA-N 1 2 343.427 2.002 20 30 EEEDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000337511926 465407338 /nfs/dbraw/zinc/40/73/38/465407338.db2.gz JJPJQUFPOMRJGL-HNNXBMFYSA-N 1 2 331.441 2.210 20 30 EEEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000337511926 465407342 /nfs/dbraw/zinc/40/73/42/465407342.db2.gz JJPJQUFPOMRJGL-HNNXBMFYSA-N 1 2 331.441 2.210 20 30 EEEDLO COc1ccccc1[C@@H]1CN(C(=O)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC000337578587 465446344 /nfs/dbraw/zinc/44/63/44/465446344.db2.gz HMDBZPXLVGBRPG-SFHVURJKSA-N 1 2 335.407 2.282 20 30 EEEDLO Cc1c(C(=O)NCC(C)(C)[NH+]2CCOCC2)nnn1CC1CCCC1 ZINC000329889144 465463441 /nfs/dbraw/zinc/46/34/41/465463441.db2.gz ZUFGYXALDUXWML-UHFFFAOYSA-N 1 2 349.479 2.192 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC2CCCCC2)cn1 ZINC000329922362 465475477 /nfs/dbraw/zinc/47/54/77/465475477.db2.gz GHOFYTNWDGJCRJ-HOCLYGCPSA-N 1 2 337.443 2.169 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC2CCCCC2)cn1 ZINC000329922362 465475482 /nfs/dbraw/zinc/47/54/82/465475482.db2.gz GHOFYTNWDGJCRJ-HOCLYGCPSA-N 1 2 337.443 2.169 20 30 EEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4nc(C5CC5)oc4c3)C[C@H]21 ZINC000329926644 465476950 /nfs/dbraw/zinc/47/69/50/465476950.db2.gz KWKTYKSVGQKPBF-GDBMZVCRSA-N 1 2 342.399 2.266 20 30 EEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4nc(C5CC5)oc4c3)C[C@H]21 ZINC000329926644 465476954 /nfs/dbraw/zinc/47/69/54/465476954.db2.gz KWKTYKSVGQKPBF-GDBMZVCRSA-N 1 2 342.399 2.266 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000343326467 465505564 /nfs/dbraw/zinc/50/55/64/465505564.db2.gz XJLWJRAOWKGUFJ-MAUKXSAKSA-N 1 2 344.459 2.287 20 30 EEEDLO N#Cc1cc(Cl)ccc1C[N@@H+](CCC(F)(F)F)C[C@@H](O)CO ZINC000359911498 465506347 /nfs/dbraw/zinc/50/63/47/465506347.db2.gz NKIRHXDDOLTSQJ-CYBMUJFWSA-N 1 2 336.741 2.319 20 30 EEEDLO N#Cc1cc(Cl)ccc1C[N@H+](CCC(F)(F)F)C[C@@H](O)CO ZINC000359911498 465506352 /nfs/dbraw/zinc/50/63/52/465506352.db2.gz NKIRHXDDOLTSQJ-CYBMUJFWSA-N 1 2 336.741 2.319 20 30 EEEDLO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352484748 465532906 /nfs/dbraw/zinc/53/29/06/465532906.db2.gz SUNHECMRMWKBKR-MRXNPFEDSA-N 1 2 344.434 2.051 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000343659710 465539585 /nfs/dbraw/zinc/53/95/85/465539585.db2.gz DPJLGKVTXQJWDS-DFGXFYAUSA-N 1 2 329.444 2.251 20 30 EEEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3ccc(F)cc3C#N)cn2c1 ZINC000356899214 465612232 /nfs/dbraw/zinc/61/22/32/465612232.db2.gz XWYJLRSMHVHTMN-UHFFFAOYSA-N 1 2 344.371 2.132 20 30 EEEDLO C=CCN(CCOC)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000361093275 465760467 /nfs/dbraw/zinc/76/04/67/465760467.db2.gz XPNBKBXVBLGLQY-UHFFFAOYSA-N 1 2 340.427 2.672 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000299549982 465796255 /nfs/dbraw/zinc/79/62/55/465796255.db2.gz SGGYABKCGORLNK-ROUUACIJSA-N 1 2 345.418 2.004 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000340191473 465858476 /nfs/dbraw/zinc/85/84/76/465858476.db2.gz GIPOXWRDTGCMTA-DZGCQCFKSA-N 1 2 341.333 2.274 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000340191473 465858485 /nfs/dbraw/zinc/85/84/85/465858485.db2.gz GIPOXWRDTGCMTA-DZGCQCFKSA-N 1 2 341.333 2.274 20 30 EEEDLO C#CCCCNC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000366759420 465919257 /nfs/dbraw/zinc/91/92/57/465919257.db2.gz NDNFCPVCKYOIIL-UHFFFAOYSA-N 1 2 348.406 2.070 20 30 EEEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000594023351 468465080 /nfs/dbraw/zinc/46/50/80/468465080.db2.gz QXZUBNLDQFKIMR-MDZRGWNJSA-N 1 2 341.455 2.058 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000361547717 466091494 /nfs/dbraw/zinc/09/14/94/466091494.db2.gz GTBQWUMWFMHVBR-CYBMUJFWSA-N 1 2 344.242 2.379 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361574548 466110171 /nfs/dbraw/zinc/11/01/71/466110171.db2.gz YCAAMMPXISCDQO-GOSISDBHSA-N 1 2 327.428 2.294 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361574548 466110181 /nfs/dbraw/zinc/11/01/81/466110181.db2.gz YCAAMMPXISCDQO-GOSISDBHSA-N 1 2 327.428 2.294 20 30 EEEDLO CN(Cc1ccc(C#N)cc1)c1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000302796996 466188167 /nfs/dbraw/zinc/18/81/67/466188167.db2.gz QOZVEWUYNWBOHN-KRWDZBQOSA-N 1 2 337.427 2.336 20 30 EEEDLO CN(Cc1ccc(C#N)cc1)c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000302796996 466188172 /nfs/dbraw/zinc/18/81/72/466188172.db2.gz QOZVEWUYNWBOHN-KRWDZBQOSA-N 1 2 337.427 2.336 20 30 EEEDLO Cc1onc(CC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1C#N ZINC000353886270 466231854 /nfs/dbraw/zinc/23/18/54/466231854.db2.gz INSRZYQQWHVSCV-UHFFFAOYSA-N 1 2 339.399 2.099 20 30 EEEDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)o1 ZINC000349976553 466335456 /nfs/dbraw/zinc/33/54/56/466335456.db2.gz XDQKCFKVNQSYJO-UHFFFAOYSA-N 1 2 340.383 2.045 20 30 EEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2noc(C)c2C#N)c1C ZINC000354405424 466542468 /nfs/dbraw/zinc/54/24/68/466542468.db2.gz QEDDQGKWYKZLDU-UHFFFAOYSA-N 1 2 328.372 2.076 20 30 EEEDLO CN(C)c1cc(NC(=O)N2CC(C)(C#N)C2)[nH+]cc1Br ZINC000332465131 466542587 /nfs/dbraw/zinc/54/25/87/466542587.db2.gz QGYQNMIRBJFGAP-UHFFFAOYSA-N 1 2 338.209 2.287 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411491134 466834908 /nfs/dbraw/zinc/83/49/08/466834908.db2.gz NPTXWKKMSIYZJM-GOEBONIOSA-N 1 2 331.416 2.043 20 30 EEEDLO Cc1cc(S(=O)(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)ccc1C#N ZINC000365538492 466853131 /nfs/dbraw/zinc/85/31/31/466853131.db2.gz YTSJJIBSTLRTRK-GOSISDBHSA-N 1 2 341.436 2.332 20 30 EEEDLO Cc1cc(S(=O)(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)ccc1C#N ZINC000365538492 466853136 /nfs/dbraw/zinc/85/31/36/466853136.db2.gz YTSJJIBSTLRTRK-GOSISDBHSA-N 1 2 341.436 2.332 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000375759378 466873493 /nfs/dbraw/zinc/87/34/93/466873493.db2.gz CFYLJVGPRZGLJR-QWHCGFSZSA-N 1 2 347.253 2.265 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000375759378 466873497 /nfs/dbraw/zinc/87/34/97/466873497.db2.gz CFYLJVGPRZGLJR-QWHCGFSZSA-N 1 2 347.253 2.265 20 30 EEEDLO C=CCC1(C(=O)N2CC[NH+](Cc3c(C)noc3C)CC2)CCOCC1 ZINC000424591102 467072559 /nfs/dbraw/zinc/07/25/59/467072559.db2.gz NBWRVLSESMOXMA-UHFFFAOYSA-N 1 2 347.459 2.309 20 30 EEEDLO C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000453971753 467559552 /nfs/dbraw/zinc/55/95/52/467559552.db2.gz JIVPYTXOQUYTPP-IUODEOHRSA-N 1 2 340.383 2.209 20 30 EEEDLO C=CC[C@H](CC)NC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000441134080 467571749 /nfs/dbraw/zinc/57/17/49/467571749.db2.gz JCBPXYNTIHVDFD-KSSFIOAISA-N 1 2 339.480 2.446 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442825571 467577806 /nfs/dbraw/zinc/57/78/06/467577806.db2.gz IPENBDMVOJYJJH-IBGZPJMESA-N 1 2 347.459 2.210 20 30 EEEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)c2cccc(C#N)c2)C1 ZINC000442829218 467578071 /nfs/dbraw/zinc/57/80/71/467578071.db2.gz UDYODOOIJVQPIP-LJQANCHMSA-N 1 2 343.427 2.094 20 30 EEEDLO C=CCOc1ccc(/C=C\C(=O)NCc2c[nH+]cn2C)cc1OC ZINC000493299247 467881872 /nfs/dbraw/zinc/88/18/72/467881872.db2.gz JXKNDBZFMYRNPX-VURMDHGXSA-N 1 2 327.384 2.323 20 30 EEEDLO C=CC[N@H+](C[C@@H]1COCCO1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000450807415 467911956 /nfs/dbraw/zinc/91/19/56/467911956.db2.gz GFDYXACAHMFHOU-QZTJIDSGSA-N 1 2 333.428 2.064 20 30 EEEDLO C=CC[N@@H+](C[C@@H]1COCCO1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000450807415 467911962 /nfs/dbraw/zinc/91/19/62/467911962.db2.gz GFDYXACAHMFHOU-QZTJIDSGSA-N 1 2 333.428 2.064 20 30 EEEDLO C=CCOc1ccc(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000515080689 467972903 /nfs/dbraw/zinc/97/29/03/467972903.db2.gz VZXOLMMRIFLNPE-HNNXBMFYSA-N 1 2 326.400 2.262 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[NH+]1C[C@@H](OC)[C@H](OC)C1 ZINC000487999058 468065914 /nfs/dbraw/zinc/06/59/14/468065914.db2.gz KFCYFCNDYRWUCN-HUUCEWRRSA-N 1 2 336.457 2.249 20 30 EEEDLO COc1ccc(C(=O)CCCC(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000517343343 468082080 /nfs/dbraw/zinc/08/20/80/468082080.db2.gz KRXODVLCPIMYGT-UHFFFAOYSA-N 1 2 343.427 2.152 20 30 EEEDLO COc1ccc2cccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c2c1 ZINC000565634034 468134853 /nfs/dbraw/zinc/13/48/53/468134853.db2.gz YCMFJJGAJYCMTA-LJQANCHMSA-N 1 2 325.412 2.351 20 30 EEEDLO COCC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCO[C@@H]1C ZINC000489502220 468146182 /nfs/dbraw/zinc/14/61/82/468146182.db2.gz XWRRNUIOCHCGIN-CZUORRHYSA-N 1 2 342.399 2.234 20 30 EEEDLO COCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCO[C@@H]1C ZINC000489502220 468146184 /nfs/dbraw/zinc/14/61/84/468146184.db2.gz XWRRNUIOCHCGIN-CZUORRHYSA-N 1 2 342.399 2.234 20 30 EEEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cnn1-c1cccc(C)c1 ZINC000577639849 468188476 /nfs/dbraw/zinc/18/84/76/468188476.db2.gz UTXKVXAGDXZNBA-SFHVURJKSA-N 1 2 325.416 2.063 20 30 EEEDLO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000578186377 468199391 /nfs/dbraw/zinc/19/93/91/468199391.db2.gz JOJWFNIBKVLYAK-JKSUJKDBSA-N 1 2 330.457 2.028 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)CN[C@@H](c1nccs1)c1ccccc1 ZINC000578186377 468199399 /nfs/dbraw/zinc/19/93/99/468199399.db2.gz JOJWFNIBKVLYAK-JKSUJKDBSA-N 1 2 330.457 2.028 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)CN[C@@H](c1nccs1)c1ccccc1 ZINC000578186377 468199402 /nfs/dbraw/zinc/19/94/02/468199402.db2.gz JOJWFNIBKVLYAK-JKSUJKDBSA-N 1 2 330.457 2.028 20 30 EEEDLO N#Cc1cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cnc1C(F)(F)F ZINC000590210711 468223096 /nfs/dbraw/zinc/22/30/96/468223096.db2.gz SQHMEUNJJIAEHP-UHFFFAOYSA-N 1 2 348.284 2.270 20 30 EEEDLO C#CCN(CC)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000490893267 468263280 /nfs/dbraw/zinc/26/32/80/468263280.db2.gz SIDFMNVRBNEZKN-SJORKVTESA-N 1 2 349.862 2.376 20 30 EEEDLO C#CCN(CC)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000490893267 468263284 /nfs/dbraw/zinc/26/32/84/468263284.db2.gz SIDFMNVRBNEZKN-SJORKVTESA-N 1 2 349.862 2.376 20 30 EEEDLO CN1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1(C)C ZINC000556085165 468507675 /nfs/dbraw/zinc/50/76/75/468507675.db2.gz RBDVOQWHYCZVHW-QGZVFWFLSA-N 1 2 326.444 2.080 20 30 EEEDLO CN1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1(C)C ZINC000556085165 468507680 /nfs/dbraw/zinc/50/76/80/468507680.db2.gz RBDVOQWHYCZVHW-QGZVFWFLSA-N 1 2 326.444 2.080 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146790 468636566 /nfs/dbraw/zinc/63/65/66/468636566.db2.gz KLMCAHJPMORYJQ-NHYWBVRUSA-N 1 2 341.333 2.383 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146790 468636569 /nfs/dbraw/zinc/63/65/69/468636569.db2.gz KLMCAHJPMORYJQ-NHYWBVRUSA-N 1 2 341.333 2.383 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cccc(I)c2)C1 ZINC000592521907 468719808 /nfs/dbraw/zinc/71/98/08/468719808.db2.gz DJXIXFDSCMNQAO-CYBMUJFWSA-N 1 2 342.180 2.142 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cccc(I)c2)C1 ZINC000592521907 468719813 /nfs/dbraw/zinc/71/98/13/468719813.db2.gz DJXIXFDSCMNQAO-CYBMUJFWSA-N 1 2 342.180 2.142 20 30 EEEDLO C=CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H](C)COC ZINC000597955200 468723676 /nfs/dbraw/zinc/72/36/76/468723676.db2.gz UKNZVVNDRXJWNU-ZDUSSCGKSA-N 1 2 344.371 2.444 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1C#N ZINC000598260994 468809901 /nfs/dbraw/zinc/80/99/01/468809901.db2.gz CAVYWQWPUMOJKH-GFCCVEGCSA-N 1 2 348.472 2.231 20 30 EEEDLO CCO[C@@H]1C[C@@]([NH2+]CCc2ccc(C#N)cc2)(C(=O)OC)C1(C)C ZINC000595446943 468856492 /nfs/dbraw/zinc/85/64/92/468856492.db2.gz FCXNNMCEBWHCGH-VQIMIIECSA-N 1 2 330.428 2.437 20 30 EEEDLO COC(=O)[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@H]1CCC[C@H](OC)C1 ZINC000595563910 468904587 /nfs/dbraw/zinc/90/45/87/468904587.db2.gz OGBGMQGGVLMKGF-OKZBNKHCSA-N 1 2 330.428 2.437 20 30 EEEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611664 468921979 /nfs/dbraw/zinc/92/19/79/468921979.db2.gz MQGJVGRSASRRAM-ZIAGYGMSSA-N 1 2 329.400 2.410 20 30 EEEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611664 468921981 /nfs/dbraw/zinc/92/19/81/468921981.db2.gz MQGJVGRSASRRAM-ZIAGYGMSSA-N 1 2 329.400 2.410 20 30 EEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000598739417 468980170 /nfs/dbraw/zinc/98/01/70/468980170.db2.gz YJHNZOQKMVCSLM-CYBMUJFWSA-N 1 2 341.415 2.302 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(C(F)F)n[nH]3)CC2)cc1 ZINC000602758643 469055873 /nfs/dbraw/zinc/05/58/73/469055873.db2.gz MPNVRFJTAAFJMC-UHFFFAOYSA-N 1 2 345.353 2.177 20 30 EEEDLO N#CCC1(C[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000602764342 469059553 /nfs/dbraw/zinc/05/95/53/469059553.db2.gz QRHNHOXMOMHGOK-UHFFFAOYSA-N 1 2 333.457 2.077 20 30 EEEDLO N#CCC1(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000602764342 469059560 /nfs/dbraw/zinc/05/95/60/469059560.db2.gz QRHNHOXMOMHGOK-UHFFFAOYSA-N 1 2 333.457 2.077 20 30 EEEDLO Cc1noc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)n1 ZINC000586788691 469067167 /nfs/dbraw/zinc/06/71/67/469067167.db2.gz JZTUQFLPCIQRGM-WBVHZDCISA-N 1 2 342.399 2.021 20 30 EEEDLO Cc1noc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)n1 ZINC000586788691 469067174 /nfs/dbraw/zinc/06/71/74/469067174.db2.gz JZTUQFLPCIQRGM-WBVHZDCISA-N 1 2 342.399 2.021 20 30 EEEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000614925267 469096514 /nfs/dbraw/zinc/09/65/14/469096514.db2.gz XTXIJBDDMYRKHS-UKRRQHHQSA-N 1 2 341.333 2.128 20 30 EEEDLO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000614925267 469096515 /nfs/dbraw/zinc/09/65/15/469096515.db2.gz XTXIJBDDMYRKHS-UKRRQHHQSA-N 1 2 341.333 2.128 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC000587977165 469097843 /nfs/dbraw/zinc/09/78/43/469097843.db2.gz POBIIVAZFTYOQF-QGZVFWFLSA-N 1 2 342.830 2.462 20 30 EEEDLO Cc1nc(C#N)c(-n2[nH]c3c(c2=O)CC[N@H+](Cc2ccccc2)C3)o1 ZINC000601937781 469103091 /nfs/dbraw/zinc/10/30/91/469103091.db2.gz HKISXXJLOGGFDN-AWEZNQCLSA-N 1 2 335.367 2.079 20 30 EEEDLO Cc1nc(C#N)c(-n2[nH]c3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)o1 ZINC000601937781 469103094 /nfs/dbraw/zinc/10/30/94/469103094.db2.gz HKISXXJLOGGFDN-AWEZNQCLSA-N 1 2 335.367 2.079 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CC(c3ccccc3)C2)cc1 ZINC000601962936 469115614 /nfs/dbraw/zinc/11/56/14/469115614.db2.gz HJKOMPWYKFQBJJ-UHFFFAOYSA-N 1 2 326.421 2.431 20 30 EEEDLO Cc1ccc([C@H](C)NC(=O)C[NH+]2CCN(CCC#N)CC2)cc1C ZINC000611174079 469181717 /nfs/dbraw/zinc/18/17/17/469181717.db2.gz VSRTXYOQQSKDCD-KRWDZBQOSA-N 1 2 328.460 2.012 20 30 EEEDLO N#Cc1cc(O)cc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000589158526 469202477 /nfs/dbraw/zinc/20/24/77/469202477.db2.gz ISVBULLJSFFSNN-UHFFFAOYSA-N 1 2 327.409 2.283 20 30 EEEDLO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3(C#N)CC3)C2)cc1 ZINC000611431586 469248073 /nfs/dbraw/zinc/24/80/73/469248073.db2.gz JDSWXAQTBWLNHS-INIZCTEOSA-N 1 2 347.484 2.289 20 30 EEEDLO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3(C#N)CC3)C2)cc1 ZINC000611431586 469248078 /nfs/dbraw/zinc/24/80/78/469248078.db2.gz JDSWXAQTBWLNHS-INIZCTEOSA-N 1 2 347.484 2.289 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000611432328 469249120 /nfs/dbraw/zinc/24/91/20/469249120.db2.gz SZDQADWDOOKYHU-AEFFLSMTSA-N 1 2 334.508 2.332 20 30 EEEDLO Cc1nc(N2CCN(C(=O)Nc3cc(F)cc(C#N)c3)CC2)cc[nH+]1 ZINC000603072640 469250725 /nfs/dbraw/zinc/25/07/25/469250725.db2.gz JFQBKXBKYNMGLI-UHFFFAOYSA-N 1 2 340.362 2.150 20 30 EEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000596641846 469319617 /nfs/dbraw/zinc/31/96/17/469319617.db2.gz YFPAJVSXBANHQN-NEPJUHHUSA-N 1 2 336.823 2.442 20 30 EEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000596641846 469319620 /nfs/dbraw/zinc/31/96/20/469319620.db2.gz YFPAJVSXBANHQN-NEPJUHHUSA-N 1 2 336.823 2.442 20 30 EEEDLO Cc1nc2ccccn2c1[C@H]1C(=O)NCC[N@H+]1C[C@@H](C)CCC#N ZINC000602474798 469332136 /nfs/dbraw/zinc/33/21/36/469332136.db2.gz RQQKTACEMVXESM-GUYCJALGSA-N 1 2 325.416 2.056 20 30 EEEDLO Cc1nc2ccccn2c1[C@H]1C(=O)NCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602474798 469332140 /nfs/dbraw/zinc/33/21/40/469332140.db2.gz RQQKTACEMVXESM-GUYCJALGSA-N 1 2 325.416 2.056 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)C1=O ZINC000625803061 469393998 /nfs/dbraw/zinc/39/39/98/469393998.db2.gz MVILJJRCWASJEH-OXQOHEQNSA-N 1 2 340.423 2.273 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)C1=O ZINC000625803061 469394003 /nfs/dbraw/zinc/39/40/03/469394003.db2.gz MVILJJRCWASJEH-OXQOHEQNSA-N 1 2 340.423 2.273 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000618846672 469455331 /nfs/dbraw/zinc/45/53/31/469455331.db2.gz MBAPDFDBBGYJEI-RDJZCZTQSA-N 1 2 335.411 2.478 20 30 EEEDLO C=CC[C@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000604912291 469527075 /nfs/dbraw/zinc/52/70/75/469527075.db2.gz RQDGQVLELRXBGL-GJZGRUSLSA-N 1 2 336.505 2.300 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1C#N ZINC000619517102 469630404 /nfs/dbraw/zinc/63/04/04/469630404.db2.gz WTGOHFMRBWSKOH-KUHUBIRLSA-N 1 2 344.411 2.115 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1C#N ZINC000619517102 469630406 /nfs/dbraw/zinc/63/04/06/469630406.db2.gz WTGOHFMRBWSKOH-KUHUBIRLSA-N 1 2 344.411 2.115 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000619719288 469669592 /nfs/dbraw/zinc/66/95/92/469669592.db2.gz JXMUMVBXVSRYSA-CJNGLKHVSA-N 1 2 349.406 2.387 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000619719288 469669598 /nfs/dbraw/zinc/66/95/98/469669598.db2.gz JXMUMVBXVSRYSA-CJNGLKHVSA-N 1 2 349.406 2.387 20 30 EEEDLO Cc1oc(NC(=O)CN2CCC[C@@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000609157608 469898777 /nfs/dbraw/zinc/89/87/77/469898777.db2.gz JLVRHCGPERJFCE-CQSZACIVSA-N 1 2 327.388 2.240 20 30 EEEDLO C[C@H]1COCC[N@@H+]1CCNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000610276044 469998401 /nfs/dbraw/zinc/99/84/01/469998401.db2.gz CCJAKSXIXYLWRO-LBPRGKRZSA-N 1 2 330.819 2.314 20 30 EEEDLO C[C@H]1COCC[N@H+]1CCNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000610276044 469998404 /nfs/dbraw/zinc/99/84/04/469998404.db2.gz CCJAKSXIXYLWRO-LBPRGKRZSA-N 1 2 330.819 2.314 20 30 EEEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](NC(N)=O)C2)cc1OC ZINC000628191651 470073449 /nfs/dbraw/zinc/07/34/49/470073449.db2.gz RISACPIENYCYJK-LBPRGKRZSA-N 1 2 339.823 2.156 20 30 EEEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H](NC(N)=O)C2)cc1OC ZINC000628191651 470073452 /nfs/dbraw/zinc/07/34/52/470073452.db2.gz RISACPIENYCYJK-LBPRGKRZSA-N 1 2 339.823 2.156 20 30 EEEDLO C=CCc1cc(CNC(=O)N(C)Cc2[nH]cc[nH+]2)cc(OC)c1OC ZINC000636683238 470430685 /nfs/dbraw/zinc/43/06/85/470430685.db2.gz YZOHIQHRVYCIPG-UHFFFAOYSA-N 1 2 344.415 2.497 20 30 EEEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCn2c[nH+]cc2C1 ZINC000644619290 470998126 /nfs/dbraw/zinc/99/81/26/470998126.db2.gz XQDDMPVLSTXELD-UHFFFAOYSA-N 1 2 349.394 2.290 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)nn1 ZINC000657358103 471111961 /nfs/dbraw/zinc/11/19/61/471111961.db2.gz VOGFRRRSHNXHDW-HNNXBMFYSA-N 1 2 345.834 2.403 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[N@H+](C)[C@H](CNC(=O)[C@](C)(C=C)CC)C1 ZINC000652497896 471301130 /nfs/dbraw/zinc/30/11/30/471301130.db2.gz PTPHREYYPKWDMA-AHRSYUTCSA-N 1 2 349.519 2.450 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[N@@H+](C)[C@H](CNC(=O)[C@](C)(C=C)CC)C1 ZINC000652497896 471301131 /nfs/dbraw/zinc/30/11/31/471301131.db2.gz PTPHREYYPKWDMA-AHRSYUTCSA-N 1 2 349.519 2.450 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)nn1 ZINC000653600791 471681487 /nfs/dbraw/zinc/68/14/87/471681487.db2.gz SXEVNLFLAIFUDT-GOSISDBHSA-N 1 2 339.443 2.308 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CCOC2)C1 ZINC001027343078 687580606 /nfs/dbraw/zinc/58/06/06/687580606.db2.gz PEGYAYHSRJVUQG-ZIAGYGMSSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CCOC2)C1 ZINC001027343078 687580602 /nfs/dbraw/zinc/58/06/02/687580602.db2.gz PEGYAYHSRJVUQG-ZIAGYGMSSA-N 1 2 345.281 2.244 20 30 EEEDLO N#Cc1cc(NCc2cc[nH+]c(N3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000183920232 534779011 /nfs/dbraw/zinc/77/90/11/534779011.db2.gz RANHGMGPKDTJKK-UHFFFAOYSA-N 1 2 339.355 2.310 20 30 EEEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177016812 529362705 /nfs/dbraw/zinc/36/27/05/529362705.db2.gz BNRBEJDZSJNGDR-MRXNPFEDSA-N 1 2 347.890 2.224 20 30 EEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000451802851 536877665 /nfs/dbraw/zinc/87/76/65/536877665.db2.gz NRPAAQIZLLHFJU-AWEZNQCLSA-N 1 2 337.370 2.303 20 30 EEEDLO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000451802851 536877672 /nfs/dbraw/zinc/87/76/72/536877672.db2.gz NRPAAQIZLLHFJU-AWEZNQCLSA-N 1 2 337.370 2.303 20 30 EEEDLO C[C@H]1C[N@H+](CCNC(=S)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000726490063 576268743 /nfs/dbraw/zinc/26/87/43/576268743.db2.gz HPJGQUOEKCKGLV-NSHDSACASA-N 1 2 338.864 2.219 20 30 EEEDLO C[C@H]1C[N@@H+](CCNC(=S)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000726490063 576268746 /nfs/dbraw/zinc/26/87/46/576268746.db2.gz HPJGQUOEKCKGLV-NSHDSACASA-N 1 2 338.864 2.219 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2csc(-c3ccc(O)cc3)n2)CC1 ZINC000728603200 576509220 /nfs/dbraw/zinc/50/92/20/576509220.db2.gz AWSJDEMBQSUODL-UHFFFAOYSA-N 1 2 341.436 2.297 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)cn1 ZINC000728803031 576530945 /nfs/dbraw/zinc/53/09/45/576530945.db2.gz MQNLTQJDUJILHA-QGZVFWFLSA-N 1 2 334.354 2.455 20 30 EEEDLO Cc1ccc(C2CC(=NNC(=S)NCC[NH+]3CCOCC3)C2)cc1 ZINC000729816058 576683854 /nfs/dbraw/zinc/68/38/54/576683854.db2.gz ADQSVMJROBCMEN-UHFFFAOYSA-N 1 2 346.500 2.025 20 30 EEEDLO CC[NH+](CC)[C@H](C(=O)OCC(=O)N(C)C(C)(C)C#N)c1ccccc1 ZINC000732351228 577174012 /nfs/dbraw/zinc/17/40/12/577174012.db2.gz YBHLNYMBLBEHIG-KRWDZBQOSA-N 1 2 345.443 2.373 20 30 EEEDLO C[N@H+](Cc1cccc(C#N)c1F)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000774622312 577407074 /nfs/dbraw/zinc/40/70/74/577407074.db2.gz YWLOANLCTZZUDU-GFCCVEGCSA-N 1 2 329.297 2.292 20 30 EEEDLO C[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000774622312 577407075 /nfs/dbraw/zinc/40/70/75/577407075.db2.gz YWLOANLCTZZUDU-GFCCVEGCSA-N 1 2 329.297 2.292 20 30 EEEDLO C#C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)[C@@H]1CCCO1 ZINC000775332158 577435121 /nfs/dbraw/zinc/43/51/21/577435121.db2.gz RECYRMOLBSWREF-BZSNNMDCSA-N 1 2 344.480 2.074 20 30 EEEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2ccc(CCC)cc2)CC1 ZINC000766895220 577526594 /nfs/dbraw/zinc/52/65/94/577526594.db2.gz BBFQWIKDVNEDOF-UHFFFAOYSA-N 1 2 334.485 2.359 20 30 EEEDLO N#CCn1c(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc2ccccc21 ZINC000767537192 577539121 /nfs/dbraw/zinc/53/91/21/577539121.db2.gz ZHESFUHOACBJPI-IYBDPMFKSA-N 1 2 339.395 2.185 20 30 EEEDLO N#CCn1c(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc2ccccc21 ZINC000767537192 577539122 /nfs/dbraw/zinc/53/91/22/577539122.db2.gz ZHESFUHOACBJPI-IYBDPMFKSA-N 1 2 339.395 2.185 20 30 EEEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000769921152 577587182 /nfs/dbraw/zinc/58/71/82/577587182.db2.gz NEIPAKJCJJEXBU-CQSZACIVSA-N 1 2 346.862 2.345 20 30 EEEDLO N#Cc1cc(C(F)(F)F)ccc1C(=O)OCC[NH+]1CCOCC1 ZINC000758121468 577616254 /nfs/dbraw/zinc/61/62/54/577616254.db2.gz GSLDLOFVVXRPDX-UHFFFAOYSA-N 1 2 328.290 2.066 20 30 EEEDLO C#C[C@@H](NC(=O)N(C)CCCc1[nH+]ccn1CCC)[C@@H]1CCCO1 ZINC000759150395 577637977 /nfs/dbraw/zinc/63/79/77/577637977.db2.gz UBHBDHMSQPSXKO-CVEARBPZSA-N 1 2 332.448 2.048 20 30 EEEDLO COCCOc1ccc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000761847025 577690036 /nfs/dbraw/zinc/69/00/36/577690036.db2.gz RWKKPKSXUZOYMH-UHFFFAOYSA-N 1 2 338.371 2.134 20 30 EEEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](C2CC2)CC1=O ZINC000762489293 577702130 /nfs/dbraw/zinc/70/21/30/577702130.db2.gz PHPINUTVHMJBCO-SFHVURJKSA-N 1 2 327.428 2.223 20 30 EEEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](C2CC2)CC1=O ZINC000762489293 577702131 /nfs/dbraw/zinc/70/21/31/577702131.db2.gz PHPINUTVHMJBCO-SFHVURJKSA-N 1 2 327.428 2.223 20 30 EEEDLO NC(=NOC/C(Cl)=C/Cl)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000763180807 577716259 /nfs/dbraw/zinc/71/62/59/577716259.db2.gz VVSHIJOBHRMZIE-ZROIWOOFSA-N 1 2 344.242 2.475 20 30 EEEDLO CO[C@@H]1C[N@H+](CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)C[C@@H]1OC ZINC000753805220 577794043 /nfs/dbraw/zinc/79/40/43/577794043.db2.gz CHJMBSSTJHMKMK-AEDOKEJLSA-N 1 2 344.455 2.213 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)C[C@@H]1OC ZINC000753805220 577794044 /nfs/dbraw/zinc/79/40/44/577794044.db2.gz CHJMBSSTJHMKMK-AEDOKEJLSA-N 1 2 344.455 2.213 20 30 EEEDLO Cc1[nH]c[nH+]c1CN=Nc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000755661113 577828713 /nfs/dbraw/zinc/82/87/13/577828713.db2.gz KDQDHQCACRGZNM-UHFFFAOYSA-N 1 2 335.433 2.241 20 30 EEEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(CC)c(CC)c2)CC1 ZINC000756965022 577854040 /nfs/dbraw/zinc/85/40/40/577854040.db2.gz KDDUEMKXDPGTFC-UHFFFAOYSA-N 1 2 334.485 2.141 20 30 EEEDLO COCC[N@H+](CC(=O)Nc1ccc(O)cc1)Cc1ccc(C#N)cc1 ZINC000747527517 577945819 /nfs/dbraw/zinc/94/58/19/577945819.db2.gz DHONZLYOKHVDGB-UHFFFAOYSA-N 1 2 339.395 2.351 20 30 EEEDLO COCC[N@@H+](CC(=O)Nc1ccc(O)cc1)Cc1ccc(C#N)cc1 ZINC000747527517 577945820 /nfs/dbraw/zinc/94/58/20/577945820.db2.gz DHONZLYOKHVDGB-UHFFFAOYSA-N 1 2 339.395 2.351 20 30 EEEDLO CCCCOC(=O)CC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000747673091 577948036 /nfs/dbraw/zinc/94/80/36/577948036.db2.gz YBYTYFZNCWRVFA-UHFFFAOYSA-N 1 2 346.431 2.279 20 30 EEEDLO C=CCn1nnn(C[N@@H+](CCC)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1=S ZINC000740857397 578108026 /nfs/dbraw/zinc/10/80/26/578108026.db2.gz CRHATGBKBBQMOX-MCIONIFRSA-N 1 2 337.493 2.478 20 30 EEEDLO C=CCn1nnn(C[N@H+](CCC)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1=S ZINC000740857397 578108027 /nfs/dbraw/zinc/10/80/27/578108027.db2.gz CRHATGBKBBQMOX-MCIONIFRSA-N 1 2 337.493 2.478 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000736170771 578184367 /nfs/dbraw/zinc/18/43/67/578184367.db2.gz IHVFFQIUAVDPAW-GBESFXJTSA-N 1 2 342.439 2.405 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000736170771 578184368 /nfs/dbraw/zinc/18/43/68/578184368.db2.gz IHVFFQIUAVDPAW-GBESFXJTSA-N 1 2 342.439 2.405 20 30 EEEDLO N#CCOc1ccc(CNc2[nH+]c3c(cc2-c2nn[nH]n2)CCC3)cc1 ZINC000737698490 578268593 /nfs/dbraw/zinc/26/85/93/578268593.db2.gz ZKXMTGPEZKYLHE-UHFFFAOYSA-N 1 2 347.382 2.265 20 30 EEEDLO C[C@H](NC(=O)c1cncc(F)c1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969486087 675070200 /nfs/dbraw/zinc/07/02/00/675070200.db2.gz CYPAQBDEEBFOJZ-ZDUSSCGKSA-N 1 2 338.386 2.343 20 30 EEEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC000969514096 675085156 /nfs/dbraw/zinc/08/51/56/675085156.db2.gz KILHYMHHULPGBI-NSHDSACASA-N 1 2 343.818 2.185 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(Cn3cccn3)o2)C1 ZINC000969723632 675174432 /nfs/dbraw/zinc/17/44/32/675174432.db2.gz WCOJIQMVODCKPH-CYBMUJFWSA-N 1 2 348.834 2.327 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cnnc3ccccc32)C1 ZINC000970491763 675934707 /nfs/dbraw/zinc/93/47/07/675934707.db2.gz CTQYZMWVHOSQCB-LBPRGKRZSA-N 1 2 330.819 2.432 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccns2)C1 ZINC000970572166 675994436 /nfs/dbraw/zinc/99/44/36/675994436.db2.gz RTYDXIQEJBHSME-KCXAZCMYSA-N 1 2 335.473 2.061 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000970576622 675997759 /nfs/dbraw/zinc/99/77/59/675997759.db2.gz BVZULXUJNVMROC-GOSISDBHSA-N 1 2 349.434 2.467 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(-c3cnn(C)c3)o2)C1 ZINC000970715827 676098873 /nfs/dbraw/zinc/09/88/73/676098873.db2.gz IWCWVSKKCHJDNQ-LBPRGKRZSA-N 1 2 348.834 2.483 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](CC=C(Cl)Cl)C2)cn1 ZINC000970767008 676134144 /nfs/dbraw/zinc/13/41/44/676134144.db2.gz OFJNDRFOXQGELP-LLVKDONJSA-N 1 2 338.238 2.432 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC000970892351 676219226 /nfs/dbraw/zinc/21/92/26/676219226.db2.gz OLWZRAUSVJTIOW-CYBMUJFWSA-N 1 2 345.834 2.070 20 30 EEEDLO C[C@@H](NC(=O)c1[nH]nc2c1CCC2)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000970035283 675407417 /nfs/dbraw/zinc/40/74/17/675407417.db2.gz MQYYAEXNARHXMM-CYBMUJFWSA-N 1 2 349.438 2.020 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(C(F)(F)F)CCCC3)C2)C1 ZINC000972699319 679661427 /nfs/dbraw/zinc/66/14/27/679661427.db2.gz CJIRIENCQWRLOK-OAHLLOKOSA-N 1 2 344.377 2.046 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(C(F)(F)F)CCCC3)C2)C1 ZINC000972699319 679661428 /nfs/dbraw/zinc/66/14/28/679661428.db2.gz CJIRIENCQWRLOK-OAHLLOKOSA-N 1 2 344.377 2.046 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2c[nH]c(C)cc2=O)C1 ZINC001021707491 676366429 /nfs/dbraw/zinc/36/64/29/676366429.db2.gz UYOLORSUDHZVBD-GDBMZVCRSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2c[nH]c(C)cc2=O)C1 ZINC001021707491 676366430 /nfs/dbraw/zinc/36/64/30/676366430.db2.gz UYOLORSUDHZVBD-GDBMZVCRSA-N 1 2 349.862 2.362 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000891605773 676715023 /nfs/dbraw/zinc/71/50/23/676715023.db2.gz HXUKVQVRCJWWHC-OAHLLOKOSA-N 1 2 341.455 2.136 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000891605773 676715024 /nfs/dbraw/zinc/71/50/24/676715024.db2.gz HXUKVQVRCJWWHC-OAHLLOKOSA-N 1 2 341.455 2.136 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001006870776 678256813 /nfs/dbraw/zinc/25/68/13/678256813.db2.gz MNXDEJISMUKZMQ-GFCCVEGCSA-N 1 2 330.413 2.311 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001006870776 678256818 /nfs/dbraw/zinc/25/68/18/678256818.db2.gz MNXDEJISMUKZMQ-GFCCVEGCSA-N 1 2 330.413 2.311 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn(C)c2C)C1 ZINC000972266234 678468669 /nfs/dbraw/zinc/46/86/69/678468669.db2.gz NYARCCRSSFAWAZ-CYBMUJFWSA-N 1 2 340.265 2.388 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccn(C)c2C)C1 ZINC000972266234 678468672 /nfs/dbraw/zinc/46/86/72/678468672.db2.gz NYARCCRSSFAWAZ-CYBMUJFWSA-N 1 2 340.265 2.388 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@@H]([N@H+](C)CC(=C)Br)C2)c1 ZINC000972283942 678493899 /nfs/dbraw/zinc/49/38/99/678493899.db2.gz DLGZXJYOZFRRMJ-OAHLLOKOSA-N 1 2 348.244 2.118 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=C)Br)C2)c1 ZINC000972283942 678493902 /nfs/dbraw/zinc/49/39/02/678493902.db2.gz DLGZXJYOZFRRMJ-OAHLLOKOSA-N 1 2 348.244 2.118 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nsc4ccccc43)C2)C1 ZINC000972388983 678668082 /nfs/dbraw/zinc/66/80/82/678668082.db2.gz APOWOVKSZWUEDM-GOSISDBHSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3nsc4ccccc43)C2)C1 ZINC000972388983 678668086 /nfs/dbraw/zinc/66/80/86/678668086.db2.gz APOWOVKSZWUEDM-GOSISDBHSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Oc3cccc(F)c3)C2)C1 ZINC000972389010 678668310 /nfs/dbraw/zinc/66/83/10/678668310.db2.gz BLGLOPBQILPDQY-KXBFYZLASA-N 1 2 348.418 2.082 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Oc3cccc(F)c3)C2)C1 ZINC000972389010 678668312 /nfs/dbraw/zinc/66/83/12/678668312.db2.gz BLGLOPBQILPDQY-KXBFYZLASA-N 1 2 348.418 2.082 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)C2)C1 ZINC000972391927 678671378 /nfs/dbraw/zinc/67/13/78/678671378.db2.gz FHFHJTSHVYZDBH-QKLQHJQFSA-N 1 2 332.488 2.385 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)C2)C1 ZINC000972391927 678671381 /nfs/dbraw/zinc/67/13/81/678671381.db2.gz FHFHJTSHVYZDBH-QKLQHJQFSA-N 1 2 332.488 2.385 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC(F)(F)C3)C2)C1 ZINC000972404428 678692723 /nfs/dbraw/zinc/69/27/23/678692723.db2.gz DBZXLPJVPLEOQX-ZBFHGGJFSA-N 1 2 328.403 2.301 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCC(F)(F)C3)C2)C1 ZINC000972404428 678692726 /nfs/dbraw/zinc/69/27/26/678692726.db2.gz DBZXLPJVPLEOQX-ZBFHGGJFSA-N 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333.432 2.221 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001059700175 688320625 /nfs/dbraw/zinc/32/06/25/688320625.db2.gz LUVNLWRBOUHJKF-MRXNPFEDSA-N 1 2 344.459 2.006 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059707994 688451149 /nfs/dbraw/zinc/45/11/49/688451149.db2.gz WPIUNWGIOKUFMY-OAHLLOKOSA-N 1 2 346.475 2.299 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059707994 688451151 /nfs/dbraw/zinc/45/11/51/688451151.db2.gz WPIUNWGIOKUFMY-OAHLLOKOSA-N 1 2 346.475 2.299 20 30 EEEDLO Cc1cc(NC[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001060002947 692516186 /nfs/dbraw/zinc/51/61/86/692516186.db2.gz GVSLMFXNNBGLAS-GXTWGEPZSA-N 1 2 327.432 2.473 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@]2(NC(=O)c3cn[nH]c3)CCC[C@H]12 ZINC000989973068 692544969 /nfs/dbraw/zinc/54/49/69/692544969.db2.gz DKRGXIJVWZDHGC-GXTWGEPZSA-N 1 2 339.237 2.045 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@]2(NC(=O)c3cn[nH]c3)CCC[C@H]12 ZINC000989973068 692544970 /nfs/dbraw/zinc/54/49/70/692544970.db2.gz DKRGXIJVWZDHGC-GXTWGEPZSA-N 1 2 339.237 2.045 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@]23CCC[C@H]2[N@H+](Cc2nccs2)CC3)c1 ZINC000990162023 692707321 /nfs/dbraw/zinc/70/73/21/692707321.db2.gz NRQVZOYCXDQVMB-RHSMWYFYSA-N 1 2 341.440 2.270 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@]23CCC[C@H]2[N@@H+](Cc2nccs2)CC3)c1 ZINC000990162023 692707322 /nfs/dbraw/zinc/70/73/22/692707322.db2.gz NRQVZOYCXDQVMB-RHSMWYFYSA-N 1 2 341.440 2.270 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)c2conc2C)C1 ZINC001027557510 692984894 /nfs/dbraw/zinc/98/48/94/692984894.db2.gz OCIOHULQDYLZJB-LBPRGKRZSA-N 1 2 342.237 2.428 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)c2conc2C)C1 ZINC001027557510 692984898 /nfs/dbraw/zinc/98/48/98/692984898.db2.gz OCIOHULQDYLZJB-LBPRGKRZSA-N 1 2 342.237 2.428 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3cn(CC)nn3)C2)CC1 ZINC001027559238 692994889 /nfs/dbraw/zinc/99/48/89/692994889.db2.gz REKCIMOKFXLZGH-GOSISDBHSA-N 1 2 345.491 2.467 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H]([N@H+](C)Cc3cn(CC)nn3)C2)CC1 ZINC001027559238 692994895 /nfs/dbraw/zinc/99/48/95/692994895.db2.gz REKCIMOKFXLZGH-GOSISDBHSA-N 1 2 345.491 2.467 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[C@H]([N@H+](C)Cc3cc(C)on3)C2)c1 ZINC001027568826 693097492 /nfs/dbraw/zinc/09/74/92/693097492.db2.gz TUGFHNITLRCOJL-SFHVURJKSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3cc(C)on3)C2)c1 ZINC001027568826 693097495 /nfs/dbraw/zinc/09/74/95/693097495.db2.gz TUGFHNITLRCOJL-SFHVURJKSA-N 1 2 338.411 2.096 20 30 EEEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000040366790 1176725880 /nfs/dbraw/zinc/72/58/80/1176725880.db2.gz ZZTNQJNXCDCWBX-UHFFFAOYSA-N 1 2 348.255 2.260 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2nocc2C)[C@H](C)C1 ZINC000944013886 1192763668 /nfs/dbraw/zinc/76/36/68/1192763668.db2.gz BRCUXERCDRCIKW-SKDRFNHKSA-N 1 2 342.237 2.332 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2nocc2C)[C@H](C)C1 ZINC000944013886 1192763671 /nfs/dbraw/zinc/76/36/71/1192763671.db2.gz BRCUXERCDRCIKW-SKDRFNHKSA-N 1 2 342.237 2.332 20 30 EEEDLO COc1ccsc1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032144107 1192773934 /nfs/dbraw/zinc/77/39/34/1192773934.db2.gz NNYGUKBKQJICPC-UHFFFAOYSA-N 1 2 341.436 2.490 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cscn3)C[C@H]2C)cn1 ZINC000944215808 1192954731 /nfs/dbraw/zinc/95/47/31/1192954731.db2.gz VEOYCWDQLYLMAU-CXAGYDPISA-N 1 2 340.452 2.160 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cscn3)C[C@H]2C)cn1 ZINC000944215808 1192954733 /nfs/dbraw/zinc/95/47/33/1192954733.db2.gz VEOYCWDQLYLMAU-CXAGYDPISA-N 1 2 340.452 2.160 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C(C)(C)CC(F)(F)F)CC2)C1 ZINC001755174551 1181534587 /nfs/dbraw/zinc/53/45/87/1181534587.db2.gz UFTBHRJRAWNTPI-UHFFFAOYSA-N 1 2 346.393 2.292 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C(C)(C)CC(F)(F)F)CC2)C1 ZINC001755174551 1181534593 /nfs/dbraw/zinc/53/45/93/1181534593.db2.gz UFTBHRJRAWNTPI-UHFFFAOYSA-N 1 2 346.393 2.292 20 30 EEEDLO CC(C)CCc1noc(C[NH2+][C@H]2CN(C(=O)[C@H](C)C#N)CC2(C)C)n1 ZINC000995559865 1193149336 /nfs/dbraw/zinc/14/93/36/1193149336.db2.gz KYEYFEDTZQDMGZ-KGLIPLIRSA-N 1 2 347.463 2.144 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)C2)CCC1 ZINC001269165459 1184021235 /nfs/dbraw/zinc/02/12/35/1184021235.db2.gz BZQVEEYMBOYHNH-JKSUJKDBSA-N 1 2 335.492 2.084 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CC(=O)N[C@@H](C)C(C)C)C2)CCC1 ZINC001269165459 1184021242 /nfs/dbraw/zinc/02/12/42/1184021242.db2.gz BZQVEEYMBOYHNH-JKSUJKDBSA-N 1 2 335.492 2.084 20 30 EEEDLO C=C1CC(C(=O)N2C[C@H]3C[C@@]3(C(=O)Nc3cccc4[nH+]ccn43)C2)C1 ZINC001271454874 1186247679 /nfs/dbraw/zinc/24/76/79/1186247679.db2.gz AVDXNLVYYQRRBP-AUUYWEPGSA-N 1 2 336.395 2.088 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cocn2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088491696 1187034616 /nfs/dbraw/zinc/03/46/16/1187034616.db2.gz NRDUEEPFZZEYEN-ABAIWWIYSA-N 1 2 328.347 2.078 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cocn2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088491696 1187034621 /nfs/dbraw/zinc/03/46/21/1187034621.db2.gz NRDUEEPFZZEYEN-ABAIWWIYSA-N 1 2 328.347 2.078 20 30 EEEDLO C[C@]1(CNC(=O)C#CC2CC2)C[N@H+](Cc2ccc(CF)cc2)CCO1 ZINC001107932277 1193479568 /nfs/dbraw/zinc/47/95/68/1193479568.db2.gz JHSHRRXQQAAZAH-FQEVSTJZSA-N 1 2 344.430 2.277 20 30 EEEDLO C[C@]1(CNC(=O)C#CC2CC2)C[N@@H+](Cc2ccc(CF)cc2)CCO1 ZINC001107932277 1193479569 /nfs/dbraw/zinc/47/95/69/1193479569.db2.gz JHSHRRXQQAAZAH-FQEVSTJZSA-N 1 2 344.430 2.277 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc(C)c(C)o2)[C@@H]1C ZINC001088576101 1187435630 /nfs/dbraw/zinc/43/56/30/1187435630.db2.gz XGKHKMYJKUGXHF-SIXLDLHFSA-N 1 2 347.459 2.352 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)c(C)o2)[C@@H]1C ZINC001088576101 1187435633 /nfs/dbraw/zinc/43/56/33/1187435633.db2.gz XGKHKMYJKUGXHF-SIXLDLHFSA-N 1 2 347.459 2.352 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3c2OCCO3)[C@H]1C ZINC001088604837 1187588356 /nfs/dbraw/zinc/58/83/56/1187588356.db2.gz USZMKCMIIRGMHN-OCCSQVGLSA-N 1 2 336.819 2.403 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3c2OCCO3)[C@H]1C ZINC001088604837 1187588361 /nfs/dbraw/zinc/58/83/61/1187588361.db2.gz USZMKCMIIRGMHN-OCCSQVGLSA-N 1 2 336.819 2.403 20 30 EEEDLO Cc1cccnc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)n(C)c1 ZINC001272126310 1187936082 /nfs/dbraw/zinc/93/60/82/1187936082.db2.gz KZKDAQZBJZDPIO-CALCHBBNSA-N 1 2 349.438 2.089 20 30 EEEDLO Cc1cccnc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)n(C)c1 ZINC001272126310 1187936085 /nfs/dbraw/zinc/93/60/85/1187936085.db2.gz KZKDAQZBJZDPIO-CALCHBBNSA-N 1 2 349.438 2.089 20 30 EEEDLO CCN(C(=O)C#CC1CC1)[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001126813436 1188439132 /nfs/dbraw/zinc/43/91/32/1188439132.db2.gz VVDOUWLRIXQCGP-KRWDZBQOSA-N 1 2 326.444 2.406 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2[nH]nc3ccc(Cl)cc32)C1=O ZINC001272824427 1193563622 /nfs/dbraw/zinc/56/36/22/1193563622.db2.gz RNLXAANBLUECTO-SFHVURJKSA-N 1 2 342.830 2.416 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2[nH]nc3ccc(Cl)cc32)C1=O ZINC001272824427 1193563626 /nfs/dbraw/zinc/56/36/26/1193563626.db2.gz RNLXAANBLUECTO-SFHVURJKSA-N 1 2 342.830 2.416 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc(C4CC4)nc3)[C@@H]2C1 ZINC001076329347 1188858212 /nfs/dbraw/zinc/85/82/12/1188858212.db2.gz KDOCUZYDAFHIAY-DZGCQCFKSA-N 1 2 332.835 2.253 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnc(C4CC4)nc3)[C@@H]2C1 ZINC001076329347 1188858215 /nfs/dbraw/zinc/85/82/15/1188858215.db2.gz KDOCUZYDAFHIAY-DZGCQCFKSA-N 1 2 332.835 2.253 20 30 EEEDLO N#Cc1cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)nc(C(F)(F)F)c1 ZINC001168367647 1189224340 /nfs/dbraw/zinc/22/43/40/1189224340.db2.gz QOFMYXBCYZDMSL-LLVKDONJSA-N 1 2 326.322 2.247 20 30 EEEDLO N#Cc1cc(N[C@@H]2CCC[N@H+](C3COC3)C2)nc(C(F)(F)F)c1 ZINC001168367647 1189224343 /nfs/dbraw/zinc/22/43/43/1189224343.db2.gz QOFMYXBCYZDMSL-LLVKDONJSA-N 1 2 326.322 2.247 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H](C)CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001077171187 1189374910 /nfs/dbraw/zinc/37/49/10/1189374910.db2.gz PDNWHWYPINONGF-INIZCTEOSA-N 1 2 346.475 2.421 20 30 EEEDLO C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)c1cn[nH]c1-c1ccccn1 ZINC001485883441 1193628859 /nfs/dbraw/zinc/62/88/59/1193628859.db2.gz BCRXBWPXVYMVOD-GFCCVEGCSA-N 1 2 333.823 2.274 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C2(C)CCOCC2)C1 ZINC001033508047 1194641076 /nfs/dbraw/zinc/64/10/76/1194641076.db2.gz JKCSKUHQXWIGIH-CYBMUJFWSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(C)CCOCC2)C1 ZINC001033508047 1194641079 /nfs/dbraw/zinc/64/10/79/1194641079.db2.gz JKCSKUHQXWIGIH-CYBMUJFWSA-N 1 2 345.281 2.244 20 30 EEEDLO Cc1ncc(C(=O)N(C)C2CC[NH+](Cc3ccc(C#N)s3)CC2)[nH]1 ZINC001005187883 1194678874 /nfs/dbraw/zinc/67/88/74/1194678874.db2.gz QNKHRIXYIFVBDO-UHFFFAOYSA-N 1 2 343.456 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001033597539 1194928672 /nfs/dbraw/zinc/92/86/72/1194928672.db2.gz SWOZGNXLNJEMRP-HNNXBMFYSA-N 1 2 338.883 2.348 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c(C)nn(CC)c2C)C1 ZINC001033597539 1194928674 /nfs/dbraw/zinc/92/86/74/1194928674.db2.gz SWOZGNXLNJEMRP-HNNXBMFYSA-N 1 2 338.883 2.348 20 30 EEEDLO CCN(C(=O)c1cocn1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033773298 1195222101 /nfs/dbraw/zinc/22/21/01/1195222101.db2.gz SPMMYMSAIITLAE-HNNXBMFYSA-N 1 2 342.374 2.422 20 30 EEEDLO CCN(C(=O)c1cocn1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033773298 1195222106 /nfs/dbraw/zinc/22/21/06/1195222106.db2.gz SPMMYMSAIITLAE-HNNXBMFYSA-N 1 2 342.374 2.422 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3ncn(C)c3n2)C1 ZINC001033952333 1195553390 /nfs/dbraw/zinc/55/33/90/1195553390.db2.gz RUNDTBZHCMLWPW-CYBMUJFWSA-N 1 2 347.850 2.257 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3ncn(C)c3n2)C1 ZINC001033952333 1195553392 /nfs/dbraw/zinc/55/33/92/1195553392.db2.gz RUNDTBZHCMLWPW-CYBMUJFWSA-N 1 2 347.850 2.257 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3n[nH]nc3c2)C1 ZINC001034035033 1195665848 /nfs/dbraw/zinc/66/58/48/1195665848.db2.gz OTAKKXZFILLIDL-CYBMUJFWSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3n[nH]nc3c2)C1 ZINC001034035033 1195665850 /nfs/dbraw/zinc/66/58/50/1195665850.db2.gz OTAKKXZFILLIDL-CYBMUJFWSA-N 1 2 333.823 2.247 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001108112514 1195710893 /nfs/dbraw/zinc/71/08/93/1195710893.db2.gz SUYMKOLMCIQHLH-LJQANCHMSA-N 1 2 343.402 2.151 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001108112514 1195710896 /nfs/dbraw/zinc/71/08/96/1195710896.db2.gz SUYMKOLMCIQHLH-LJQANCHMSA-N 1 2 343.402 2.151 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cc(C)on2)C1 ZINC001034212584 1195951412 /nfs/dbraw/zinc/95/14/12/1195951412.db2.gz LPTDYGCTOOUKOF-JQHSSLGASA-N 1 2 347.459 2.435 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cc(C)on2)C1 ZINC001034212584 1195951414 /nfs/dbraw/zinc/95/14/14/1195951414.db2.gz LPTDYGCTOOUKOF-JQHSSLGASA-N 1 2 347.459 2.435 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCCC[N@H+](Cc2ncccn2)C1 ZINC001034247783 1195980720 /nfs/dbraw/zinc/98/07/20/1195980720.db2.gz SSTPSNGHEUTDID-MRXNPFEDSA-N 1 2 339.443 2.249 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ncccn2)C1 ZINC001034247783 1195980723 /nfs/dbraw/zinc/98/07/23/1195980723.db2.gz SSTPSNGHEUTDID-MRXNPFEDSA-N 1 2 339.443 2.249 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnn3cccnc23)C1 ZINC001034337422 1196109711 /nfs/dbraw/zinc/10/97/11/1196109711.db2.gz WTRUVPATGCKVQG-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnn3cccnc23)C1 ZINC001034337422 1196109713 /nfs/dbraw/zinc/10/97/13/1196109713.db2.gz WTRUVPATGCKVQG-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001034403247 1196195701 /nfs/dbraw/zinc/19/57/01/1196195701.db2.gz DFSLXQBNNBFYOL-ZACQAIPSSA-N 1 2 347.459 2.353 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001034403247 1196195703 /nfs/dbraw/zinc/19/57/03/1196195703.db2.gz DFSLXQBNNBFYOL-ZACQAIPSSA-N 1 2 347.459 2.353 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001061750739 1196226847 /nfs/dbraw/zinc/22/68/47/1196226847.db2.gz CURRCXUWFVYESJ-BQFCYCMXSA-N 1 2 344.459 2.099 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3nncn3c2)C1 ZINC001034443100 1196238430 /nfs/dbraw/zinc/23/84/30/1196238430.db2.gz WEESHIAMLUIKAK-CQSZACIVSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc3nncn3c2)C1 ZINC001034443100 1196238435 /nfs/dbraw/zinc/23/84/35/1196238435.db2.gz WEESHIAMLUIKAK-CQSZACIVSA-N 1 2 333.823 2.066 20 30 EEEDLO CC(C)[C@@H](F)C(=O)NC[C@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108141436 1196524198 /nfs/dbraw/zinc/52/41/98/1196524198.db2.gz XMQPIEIXFOBGDN-IEBWSBKVSA-N 1 2 347.434 2.259 20 30 EEEDLO CC(C)[C@@H](F)C(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108141436 1196524203 /nfs/dbraw/zinc/52/42/03/1196524203.db2.gz XMQPIEIXFOBGDN-IEBWSBKVSA-N 1 2 347.434 2.259 20 30 EEEDLO CC(C)[C@@H](F)C(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108141437 1196524394 /nfs/dbraw/zinc/52/43/94/1196524394.db2.gz XMQPIEIXFOBGDN-MJGOQNOKSA-N 1 2 347.434 2.259 20 30 EEEDLO CC(C)[C@@H](F)C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108141437 1196524396 /nfs/dbraw/zinc/52/43/96/1196524396.db2.gz XMQPIEIXFOBGDN-MJGOQNOKSA-N 1 2 347.434 2.259 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)[C@@H]1C ZINC001090241276 1196552464 /nfs/dbraw/zinc/55/24/64/1196552464.db2.gz LBPSEPRTUPXVSD-JSGCOSHPSA-N 1 2 332.452 2.004 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]2C[NH2+][C@@H](C)c2noc(C)n2)cc1 ZINC001035006603 1196977841 /nfs/dbraw/zinc/97/78/41/1196977841.db2.gz APYMHEMTNUBIJZ-SUMWQHHRSA-N 1 2 338.411 2.315 20 30 EEEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc(Cl)cc1O)C2 ZINC001273164696 1197226890 /nfs/dbraw/zinc/22/68/90/1197226890.db2.gz YUDBSLNBOQCVMD-UHFFFAOYSA-N 1 2 336.819 2.035 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3cnccc3Cl)C2)OCC1=O ZINC001273171128 1197298536 /nfs/dbraw/zinc/29/85/36/1197298536.db2.gz CWSXBPYOZJROCR-KRWDZBQOSA-N 1 2 335.835 2.114 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3cnccc3Cl)C2)OCC1=O ZINC001273171128 1197298539 /nfs/dbraw/zinc/29/85/39/1197298539.db2.gz CWSXBPYOZJROCR-KRWDZBQOSA-N 1 2 335.835 2.114 20 30 EEEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(F)cc(F)cc1F)CC2 ZINC001273174122 1197328542 /nfs/dbraw/zinc/32/85/42/1197328542.db2.gz MIWNSSYIOJVDPL-CQSZACIVSA-N 1 2 336.357 2.455 20 30 EEEDLO N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2cc(O)ccc2F)C1=O ZINC001273286874 1197958392 /nfs/dbraw/zinc/95/83/92/1197958392.db2.gz MMROSAITGAFVIN-SFHVURJKSA-N 1 2 331.391 2.402 20 30 EEEDLO N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(O)ccc2F)C1=O ZINC001273286874 1197958394 /nfs/dbraw/zinc/95/83/94/1197958394.db2.gz MMROSAITGAFVIN-SFHVURJKSA-N 1 2 331.391 2.402 20 30 EEEDLO Fc1ccc(N=NCc2ccc(OCC[NH+]3CCOCC3)cc2)nc1 ZINC000872350205 1198153062 /nfs/dbraw/zinc/15/30/62/1198153062.db2.gz OMPUHQWCJMXIFN-UHFFFAOYSA-N 1 2 344.390 2.378 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cc3cccn3cn2)C1 ZINC001014891536 1224501848 /nfs/dbraw/zinc/50/18/48/1224501848.db2.gz VFJWIOSSCYXSKC-QGZVFWFLSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cc3cccn3cn2)C1 ZINC001014891536 1224501855 /nfs/dbraw/zinc/50/18/55/1224501855.db2.gz VFJWIOSSCYXSKC-QGZVFWFLSA-N 1 2 345.406 2.210 20 30 EEEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccccc1SCC#N ZINC000874699260 1198947058 /nfs/dbraw/zinc/94/70/58/1198947058.db2.gz JBOZOHNAUGEOAD-AWEZNQCLSA-N 1 2 333.457 2.143 20 30 EEEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccccc1SCC#N ZINC000874699260 1198947061 /nfs/dbraw/zinc/94/70/61/1198947061.db2.gz JBOZOHNAUGEOAD-AWEZNQCLSA-N 1 2 333.457 2.143 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2csnc2OC)C1 ZINC001131996583 1199182608 /nfs/dbraw/zinc/18/26/08/1199182608.db2.gz VUDZVMYYCSIRJQ-UKRRQHHQSA-N 1 2 335.473 2.424 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2csnc2OC)C1 ZINC001131996583 1199182610 /nfs/dbraw/zinc/18/26/10/1199182610.db2.gz VUDZVMYYCSIRJQ-UKRRQHHQSA-N 1 2 335.473 2.424 20 30 EEEDLO C#Cc1cccc(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)c1 ZINC000810013717 1199209221 /nfs/dbraw/zinc/20/92/21/1199209221.db2.gz LMVUDSJCLJHJKE-KRWDZBQOSA-N 1 2 338.411 2.103 20 30 EEEDLO C#Cc1cccc(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)c1 ZINC000810013717 1199209228 /nfs/dbraw/zinc/20/92/28/1199209228.db2.gz LMVUDSJCLJHJKE-KRWDZBQOSA-N 1 2 338.411 2.103 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC=C(Cl)Cl)C1 ZINC001132029384 1199231771 /nfs/dbraw/zinc/23/17/71/1199231771.db2.gz LJYJSEZFPNGKNY-STQMWFEESA-N 1 2 333.259 2.314 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC=C(Cl)Cl)C1 ZINC001132029384 1199231774 /nfs/dbraw/zinc/23/17/74/1199231774.db2.gz LJYJSEZFPNGKNY-STQMWFEESA-N 1 2 333.259 2.314 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCC2CC2)C1 ZINC001132057278 1199244444 /nfs/dbraw/zinc/24/44/44/1199244444.db2.gz MJSFUYOUQJTHNE-MAUKXSAKSA-N 1 2 347.503 2.250 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCC2CC2)C1 ZINC001132057278 1199244448 /nfs/dbraw/zinc/24/44/48/1199244448.db2.gz MJSFUYOUQJTHNE-MAUKXSAKSA-N 1 2 347.503 2.250 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cc(C)ccc1C ZINC001018263912 1224541474 /nfs/dbraw/zinc/54/14/74/1224541474.db2.gz PKIAUOQJKDPUPJ-HDICACEKSA-N 1 2 326.440 2.381 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cc(C)ccc1C ZINC001018263912 1224541479 /nfs/dbraw/zinc/54/14/79/1224541479.db2.gz PKIAUOQJKDPUPJ-HDICACEKSA-N 1 2 326.440 2.381 20 30 EEEDLO C#CCCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nnsc1Cl ZINC001134200456 1199397834 /nfs/dbraw/zinc/39/78/34/1199397834.db2.gz FEXJWNJOACIQOK-MNOVXSKESA-N 1 2 328.869 2.368 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(OC)no2)C1 ZINC001132235326 1199467101 /nfs/dbraw/zinc/46/71/01/1199467101.db2.gz LPBQHPFNNPVDQK-HUUCEWRRSA-N 1 2 333.432 2.346 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(OC)no2)C1 ZINC001132235326 1199467106 /nfs/dbraw/zinc/46/71/06/1199467106.db2.gz LPBQHPFNNPVDQK-HUUCEWRRSA-N 1 2 333.432 2.346 20 30 EEEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2nc(CCCC)no2)cc1 ZINC001132226741 1199467183 /nfs/dbraw/zinc/46/71/83/1199467183.db2.gz MZHOODJWPBSTRL-AWEZNQCLSA-N 1 2 340.427 2.474 20 30 EEEDLO C#Cc1ccc(C(=O)NCC[NH2+]Cc2nc(C(C)C)ns2)cc1 ZINC001132226766 1199467604 /nfs/dbraw/zinc/46/76/04/1199467604.db2.gz NRMLPTYULWFZLO-UHFFFAOYSA-N 1 2 328.441 2.162 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2ccc(=O)[nH]c2)CC[C@@H]1C ZINC001132240372 1199490025 /nfs/dbraw/zinc/49/00/25/1199490025.db2.gz FXESPUZYQXZRTC-DZGCQCFKSA-N 1 2 337.851 2.441 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2ccc(=O)[nH]c2)CC[C@@H]1C ZINC001132240372 1199490029 /nfs/dbraw/zinc/49/00/29/1199490029.db2.gz FXESPUZYQXZRTC-DZGCQCFKSA-N 1 2 337.851 2.441 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(=O)NCC3CC3)C2)CC1 ZINC001132277265 1199525681 /nfs/dbraw/zinc/52/56/81/1199525681.db2.gz DPALFQGFBVYHKK-MAUKXSAKSA-N 1 2 347.503 2.228 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=O)NCC3CC3)C2)CC1 ZINC001132277265 1199525687 /nfs/dbraw/zinc/52/56/87/1199525687.db2.gz DPALFQGFBVYHKK-MAUKXSAKSA-N 1 2 347.503 2.228 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC001018287375 1224569265 /nfs/dbraw/zinc/56/92/65/1224569265.db2.gz ZHWSUQLBHOEUGT-IVSAIRAKSA-N 1 2 330.378 2.377 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC001018287375 1224569268 /nfs/dbraw/zinc/56/92/68/1224569268.db2.gz ZHWSUQLBHOEUGT-IVSAIRAKSA-N 1 2 330.378 2.377 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C2(CC)CCCCC2)CC[C@H]1C ZINC001132509116 1199809323 /nfs/dbraw/zinc/80/93/23/1199809323.db2.gz RMQGFLOSTHEXBD-IAGOWNOFSA-N 1 2 347.503 2.065 20 30 EEEDLO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)C2(CC)CCCCC2)CC[C@H]1C ZINC001132509116 1199809325 /nfs/dbraw/zinc/80/93/25/1199809325.db2.gz RMQGFLOSTHEXBD-IAGOWNOFSA-N 1 2 347.503 2.065 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)cn2)C1 ZINC001132530342 1199827212 /nfs/dbraw/zinc/82/72/12/1199827212.db2.gz XBSJFTMUYLBJFZ-RHSMWYFYSA-N 1 2 335.423 2.283 20 30 EEEDLO C=CCCOCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cn2)C1 ZINC001132530342 1199827215 /nfs/dbraw/zinc/82/72/15/1199827215.db2.gz XBSJFTMUYLBJFZ-RHSMWYFYSA-N 1 2 335.423 2.283 20 30 EEEDLO CC(=O)[C@@](C#N)(CC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000877908611 1200158071 /nfs/dbraw/zinc/15/80/71/1200158071.db2.gz YAECCICNHQZNQA-FQEVSTJZSA-N 1 2 349.438 2.039 20 30 EEEDLO CN(C)c1cc(Cl)cc(Cl)c1C=[NH+]NCCS(C)(=O)=O ZINC000811643705 1200201365 /nfs/dbraw/zinc/20/13/65/1200201365.db2.gz KVAOBMFTDICZBF-UHFFFAOYSA-N 1 2 338.260 2.028 20 30 EEEDLO CNC(=O)[C@H]1CCCC[N@@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878035319 1200225544 /nfs/dbraw/zinc/22/55/44/1200225544.db2.gz RQCIBNWUXUKCJP-IEBWSBKVSA-N 1 2 327.428 2.028 20 30 EEEDLO CNC(=O)[C@H]1CCCC[N@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878035319 1200225551 /nfs/dbraw/zinc/22/55/51/1200225551.db2.gz RQCIBNWUXUKCJP-IEBWSBKVSA-N 1 2 327.428 2.028 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)c1ccc(F)cc1 ZINC001018328163 1224612610 /nfs/dbraw/zinc/61/26/10/1224612610.db2.gz DDDSYGUZHJGUBG-KSZLIROESA-N 1 2 330.403 2.212 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)c1ccc(F)cc1 ZINC001018328163 1224612614 /nfs/dbraw/zinc/61/26/14/1224612614.db2.gz DDDSYGUZHJGUBG-KSZLIROESA-N 1 2 330.403 2.212 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCn3nccc32)C1 ZINC001014986784 1224616601 /nfs/dbraw/zinc/61/66/01/1224616601.db2.gz HVQQFXYKJGHGAY-QZTJIDSGSA-N 1 2 349.438 2.023 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCn3nccc32)C1 ZINC001014986784 1224616604 /nfs/dbraw/zinc/61/66/04/1224616604.db2.gz HVQQFXYKJGHGAY-QZTJIDSGSA-N 1 2 349.438 2.023 20 30 EEEDLO C=C1CCC(C(=O)NCC[NH2+]Cc2nc(-c3ccco3)no2)CC1 ZINC001133362550 1200794347 /nfs/dbraw/zinc/79/43/47/1200794347.db2.gz KJMMJUFBRMRCQY-UHFFFAOYSA-N 1 2 330.388 2.282 20 30 EEEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2nnc(C(F)(F)F)s2)C1 ZINC001133564254 1201052755 /nfs/dbraw/zinc/05/27/55/1201052755.db2.gz LTZUMJCQFZDHER-UHFFFAOYSA-N 1 2 334.367 2.119 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(C(F)F)c2)C1 ZINC000885511307 1202420667 /nfs/dbraw/zinc/42/06/67/1202420667.db2.gz FLVVUWUSNPGRHE-ZDUSSCGKSA-N 1 2 328.384 2.000 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(C(F)F)c2)C1 ZINC000885511307 1202420669 /nfs/dbraw/zinc/42/06/69/1202420669.db2.gz FLVVUWUSNPGRHE-ZDUSSCGKSA-N 1 2 328.384 2.000 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)c(Cl)cc2O)C1=O ZINC001274063065 1204351287 /nfs/dbraw/zinc/35/12/87/1204351287.db2.gz HHRDZPQQTLZIJM-KRWDZBQOSA-N 1 2 336.794 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C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCC1 ZINC001110936337 1206316875 /nfs/dbraw/zinc/31/68/75/1206316875.db2.gz ILELTEIHZINDDM-DDBAPUKQSA-N 1 2 347.503 2.369 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(C)(C)CC)C1 ZINC001111001435 1206600118 /nfs/dbraw/zinc/60/01/18/1206600118.db2.gz CFZMPVHUAPBMOT-OAGGEKHMSA-N 1 2 347.503 2.369 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(C)(C)CC)C1 ZINC001111001435 1206600119 /nfs/dbraw/zinc/60/01/19/1206600119.db2.gz CFZMPVHUAPBMOT-OAGGEKHMSA-N 1 2 347.503 2.369 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1O ZINC001111198553 1208356624 /nfs/dbraw/zinc/35/66/24/1208356624.db2.gz DZOAWLFTXLTILZ-TXPKVOOTSA-N 1 2 346.475 2.012 20 30 EEEDLO C=C(C)CS(=O)(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000189665864 1209254921 /nfs/dbraw/zinc/25/49/21/1209254921.db2.gz JUBBFNZBFKNXHL-UHFFFAOYSA-N 1 2 337.489 2.217 20 30 EEEDLO 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/nfs/dbraw/zinc/46/08/77/1209460877.db2.gz ZNWFXZVQMBBEQU-QGZVFWFLSA-N 1 2 325.437 2.496 20 30 EEEDLO C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC000948933097 1209461052 /nfs/dbraw/zinc/46/10/52/1209461052.db2.gz UWPFLHSYBFJNLX-IBGZPJMESA-N 1 2 348.450 2.251 20 30 EEEDLO C#CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC000948933097 1209461054 /nfs/dbraw/zinc/46/10/54/1209461054.db2.gz UWPFLHSYBFJNLX-IBGZPJMESA-N 1 2 348.450 2.251 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C(C)C)n[nH]1 ZINC000948960361 1209475058 /nfs/dbraw/zinc/47/50/58/1209475058.db2.gz CXFJKKNUBIHVAN-LJQANCHMSA-N 1 2 336.439 2.496 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C(C)C)n[nH]1 ZINC000948960361 1209475062 /nfs/dbraw/zinc/47/50/62/1209475062.db2.gz CXFJKKNUBIHVAN-LJQANCHMSA-N 1 2 336.439 2.496 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnn2c1CCCC2 ZINC000948978424 1209485330 /nfs/dbraw/zinc/48/53/30/1209485330.db2.gz MCDIGJRLJOUAJL-HXUWFJFHSA-N 1 2 348.450 2.182 20 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C#Cc1cncc(C(=O)N(CC)C2C[NH+](C[C@H]3CC(C)(C)CO3)C2)c1 ZINC000951719291 1210993130 /nfs/dbraw/zinc/99/31/30/1210993130.db2.gz OLMIXGJULYDCMW-GOSISDBHSA-N 1 2 341.455 2.024 20 30 EEEDLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C=NNC1=[NH+]C[C@H](C)N1 ZINC000779804222 1211032191 /nfs/dbraw/zinc/03/21/91/1211032191.db2.gz BOUVNKGWHRNSSR-VIFPVBQESA-N 1 2 332.358 2.039 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1[C@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@H]21 ZINC001114514177 1212305131 /nfs/dbraw/zinc/30/51/31/1212305131.db2.gz HWTZXODMOWSYRM-PHZGNYQRSA-N 1 2 326.444 2.427 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H](C)C2)C1 ZINC000955656180 1213240457 /nfs/dbraw/zinc/24/04/57/1213240457.db2.gz OHLNNXSEJDNSIM-GJZGRUSLSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C3(C)CC3)CC2)C1 ZINC000956597503 1214120129 /nfs/dbraw/zinc/12/01/29/1214120129.db2.gz HBOXDMMFXRMFJQ-VQIMIIECSA-N 1 2 347.503 2.134 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)cc3F)C2)c1 ZINC001015679082 1225542114 /nfs/dbraw/zinc/54/21/14/1225542114.db2.gz TUQQBPDNGAMZTH-KRWDZBQOSA-N 1 2 341.361 2.345 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)cc3F)C2)c1 ZINC001015679082 1225542121 /nfs/dbraw/zinc/54/21/21/1225542121.db2.gz TUQQBPDNGAMZTH-KRWDZBQOSA-N 1 2 341.361 2.345 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@](C)(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000957542651 1215197035 /nfs/dbraw/zinc/19/70/35/1215197035.db2.gz IRZOSPCYUHQRCF-DJJJIMSYSA-N 1 2 344.459 2.149 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001114795635 1215328407 /nfs/dbraw/zinc/32/84/07/1215328407.db2.gz QURXMJYFXVWMIZ-JOCQHMNTSA-N 1 2 342.447 2.272 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2nccc3[nH]ccc32)C1 ZINC001015725267 1225598221 /nfs/dbraw/zinc/59/82/21/1225598221.db2.gz XZJJAJQASFKTCW-MRXNPFEDSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2nccc3[nH]ccc32)C1 ZINC001015725267 1225598225 /nfs/dbraw/zinc/59/82/25/1225598225.db2.gz XZJJAJQASFKTCW-MRXNPFEDSA-N 1 2 345.406 2.439 20 30 EEEDLO Cn1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cncc(F)c2)cc1C#N ZINC001276336378 1215761732 /nfs/dbraw/zinc/76/17/32/1215761732.db2.gz JKXSYEUOQXSRSQ-OALUTQOASA-N 1 2 339.418 2.280 20 30 EEEDLO Cn1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cncc(F)c2)cc1C#N ZINC001276336378 1215761735 /nfs/dbraw/zinc/76/17/35/1215761735.db2.gz JKXSYEUOQXSRSQ-OALUTQOASA-N 1 2 339.418 2.280 20 30 EEEDLO CCCCn1c(SC[C@H](O)CC#N)nnc1[C@@H](CC)[NH+](C)C ZINC001412915567 1216109923 /nfs/dbraw/zinc/10/99/23/1216109923.db2.gz FKTDJKRALQSEGV-CHWSQXEVSA-N 1 2 325.482 2.458 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2ncc(C)o2)cn1 ZINC000960975499 1216996138 /nfs/dbraw/zinc/99/61/38/1216996138.db2.gz GTFTWJDDNAWVER-KRWDZBQOSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ncc(C)o2)cn1 ZINC000960975499 1216996139 /nfs/dbraw/zinc/99/61/39/1216996139.db2.gz GTFTWJDDNAWVER-KRWDZBQOSA-N 1 2 338.411 2.096 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001015827053 1225714797 /nfs/dbraw/zinc/71/47/97/1225714797.db2.gz LZVMUVPSSPGFMU-VYDXJSESSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001015827053 1225714804 /nfs/dbraw/zinc/71/48/04/1225714804.db2.gz LZVMUVPSSPGFMU-VYDXJSESSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2nc(C)c(C)s2)C1 ZINC001015827143 1225715496 /nfs/dbraw/zinc/71/54/96/1225715496.db2.gz NDSHGVUCVXKVGU-VYDXJSESSA-N 1 2 349.500 2.432 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC001015827143 1225715498 /nfs/dbraw/zinc/71/54/98/1225715498.db2.gz NDSHGVUCVXKVGU-VYDXJSESSA-N 1 2 349.500 2.432 20 30 EEEDLO O=C(C#CC1CC1)N1CCC[C@H]([C@@H]2CC[N@H+](Cc3cnsn3)C2)C1 ZINC000961176466 1217071777 /nfs/dbraw/zinc/07/17/77/1217071777.db2.gz VCNIYRGWHZSLEV-JKSUJKDBSA-N 1 2 344.484 2.012 20 30 EEEDLO O=C(C#CC1CC1)N1CCC[C@H]([C@@H]2CC[N@@H+](Cc3cnsn3)C2)C1 ZINC000961176466 1217071780 /nfs/dbraw/zinc/07/17/80/1217071780.db2.gz VCNIYRGWHZSLEV-JKSUJKDBSA-N 1 2 344.484 2.012 20 30 EEEDLO CCc1nc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)c(C)o1 ZINC001015831121 1225720538 /nfs/dbraw/zinc/72/05/38/1225720538.db2.gz MGYBOZANUSYTDY-KRWDZBQOSA-N 1 2 337.423 2.401 20 30 EEEDLO CCc1nc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c(C)o1 ZINC001015831121 1225720540 /nfs/dbraw/zinc/72/05/40/1225720540.db2.gz MGYBOZANUSYTDY-KRWDZBQOSA-N 1 2 337.423 2.401 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC000961367812 1217160739 /nfs/dbraw/zinc/16/07/39/1217160739.db2.gz OKSWGMHJFCKXNQ-KGLIPLIRSA-N 1 2 334.357 2.471 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC000961367812 1217160741 /nfs/dbraw/zinc/16/07/41/1217160741.db2.gz OKSWGMHJFCKXNQ-KGLIPLIRSA-N 1 2 334.357 2.471 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC000961367812 1217160743 /nfs/dbraw/zinc/16/07/43/1217160743.db2.gz OKSWGMHJFCKXNQ-KGLIPLIRSA-N 1 2 334.357 2.471 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC000961367812 1217160745 /nfs/dbraw/zinc/16/07/45/1217160745.db2.gz OKSWGMHJFCKXNQ-KGLIPLIRSA-N 1 2 334.357 2.471 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4csc(COC)n4)C[C@H]32)C1 ZINC000961691362 1217278304 /nfs/dbraw/zinc/27/83/04/1217278304.db2.gz PDLZNLWIOKUMMI-FOLVSLTJSA-N 1 2 347.484 2.192 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4csc(COC)n4)C[C@H]32)C1 ZINC000961691362 1217278307 /nfs/dbraw/zinc/27/83/07/1217278307.db2.gz PDLZNLWIOKUMMI-FOLVSLTJSA-N 1 2 347.484 2.192 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4coc(C5CC5)n4)C[C@H]32)C1 ZINC000961728334 1217290554 /nfs/dbraw/zinc/29/05/54/1217290554.db2.gz ARSCVEUZEUHOLF-ZSHCYNCHSA-N 1 2 327.428 2.455 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4coc(C5CC5)n4)C[C@H]32)C1 ZINC000961728334 1217290556 /nfs/dbraw/zinc/29/05/56/1217290556.db2.gz ARSCVEUZEUHOLF-ZSHCYNCHSA-N 1 2 327.428 2.455 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC000963541317 1217856100 /nfs/dbraw/zinc/85/61/00/1217856100.db2.gz PEBOIESIIPCHCW-GPMSIDNRSA-N 1 2 344.459 2.146 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)ccn1 ZINC001015874956 1225775628 /nfs/dbraw/zinc/77/56/28/1225775628.db2.gz JHNMKBFTKHAIRW-IBGZPJMESA-N 1 2 337.398 2.385 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)ccn1 ZINC001015874956 1225775633 /nfs/dbraw/zinc/77/56/33/1225775633.db2.gz JHNMKBFTKHAIRW-IBGZPJMESA-N 1 2 337.398 2.385 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@H]2C)no1 ZINC000964878808 1218696662 /nfs/dbraw/zinc/69/66/62/1218696662.db2.gz XERCYEWTBYLTGL-BEFAXECRSA-N 1 2 337.423 2.475 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[N@H+](CC#Cc3ccccc3)CC[C@H]2C)no1 ZINC000964878808 1218696666 /nfs/dbraw/zinc/69/66/66/1218696666.db2.gz XERCYEWTBYLTGL-BEFAXECRSA-N 1 2 337.423 2.475 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000965135378 1218918729 /nfs/dbraw/zinc/91/87/29/1218918729.db2.gz LIKIYZYJJPEHSD-AWEZNQCLSA-N 1 2 332.448 2.052 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2cncc(F)c2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000965899318 1219338144 /nfs/dbraw/zinc/33/81/44/1219338144.db2.gz GBKJBSYXPCMSKK-SJCJKPOMSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2cncc(F)c2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000965899318 1219338147 /nfs/dbraw/zinc/33/81/47/1219338147.db2.gz GBKJBSYXPCMSKK-SJCJKPOMSA-N 1 2 341.390 2.061 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(C(C)(C)C)nn3)C[C@H]21 ZINC001114895772 1219372464 /nfs/dbraw/zinc/37/24/64/1219372464.db2.gz FGTSYIKDEFOGID-ZSHCYNCHSA-N 1 2 345.491 2.182 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cn(C(C)(C)C)nn3)C[C@H]21 ZINC001114895772 1219372466 /nfs/dbraw/zinc/37/24/66/1219372466.db2.gz FGTSYIKDEFOGID-ZSHCYNCHSA-N 1 2 345.491 2.182 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)sc3C)C2)nc1 ZINC001016015966 1225959935 /nfs/dbraw/zinc/95/99/35/1225959935.db2.gz DQOQWWCTHAVOCA-HNNXBMFYSA-N 1 2 340.452 2.141 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)sc3C)C2)nc1 ZINC001016015966 1225959938 /nfs/dbraw/zinc/95/99/38/1225959938.db2.gz DQOQWWCTHAVOCA-HNNXBMFYSA-N 1 2 340.452 2.141 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2c(C)cc(=O)oc2C)C1 ZINC000967286798 1220380544 /nfs/dbraw/zinc/38/05/44/1220380544.db2.gz AEBUSXRVOMLGNG-QMTHXVAHSA-N 1 2 338.835 2.449 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2c(C)cc(=O)oc2C)C1 ZINC000967286798 1220380547 /nfs/dbraw/zinc/38/05/47/1220380547.db2.gz AEBUSXRVOMLGNG-QMTHXVAHSA-N 1 2 338.835 2.449 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2nc3cnccc3s2)C1 ZINC000967311998 1220403328 /nfs/dbraw/zinc/40/33/28/1220403328.db2.gz LRHUWOULDGSQKS-JSGCOSHPSA-N 1 2 328.441 2.155 20 30 EEEDLO CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2nc3cnccc3s2)C1 ZINC000967311998 1220403331 /nfs/dbraw/zinc/40/33/31/1220403331.db2.gz LRHUWOULDGSQKS-JSGCOSHPSA-N 1 2 328.441 2.155 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc3c(c2)ncn3C)C1 ZINC000967699966 1220748682 /nfs/dbraw/zinc/74/86/82/1220748682.db2.gz FDQNHJFQDHVSIW-NHYWBVRUSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc3c(c2)ncn3C)C1 ZINC000967699966 1220748685 /nfs/dbraw/zinc/74/86/85/1220748685.db2.gz FDQNHJFQDHVSIW-NHYWBVRUSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(OC)cn2)C1 ZINC000967946923 1220934785 /nfs/dbraw/zinc/93/47/85/1220934785.db2.gz VRLVRHPVKSVEQC-LRDDRELGSA-N 1 2 337.851 2.212 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(OC)cn2)C1 ZINC000967946923 1220934788 /nfs/dbraw/zinc/93/47/88/1220934788.db2.gz VRLVRHPVKSVEQC-LRDDRELGSA-N 1 2 337.851 2.212 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cc(Cl)no1 ZINC001016065980 1226024419 /nfs/dbraw/zinc/02/44/19/1226024419.db2.gz JPPYUYAAIISGIJ-CQSZACIVSA-N 1 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UWKOMBZHJLYTRX-RDJZCZTQSA-N 1 2 345.418 2.205 20 30 EEEDLO Cc1ncoc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001007013875 1222062496 /nfs/dbraw/zinc/06/24/96/1222062496.db2.gz QFAZIXSDEGCUBF-GFCCVEGCSA-N 1 2 330.413 2.311 20 30 EEEDLO Cc1ncoc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001007013875 1222062502 /nfs/dbraw/zinc/06/25/02/1222062502.db2.gz QFAZIXSDEGCUBF-GFCCVEGCSA-N 1 2 330.413 2.311 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]nc3c2CCCC3)C1 ZINC001007334548 1222178174 /nfs/dbraw/zinc/17/81/74/1222178174.db2.gz WCRJUZXHVCSIQP-ZDUSSCGKSA-N 1 2 336.867 2.164 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2[nH]nc3c2CCCC3)C1 ZINC001007334548 1222178177 /nfs/dbraw/zinc/17/81/77/1222178177.db2.gz WCRJUZXHVCSIQP-ZDUSSCGKSA-N 1 2 336.867 2.164 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001007531143 1222279701 /nfs/dbraw/zinc/27/97/01/1222279701.db2.gz YSDAODVJSWLYHG-AQNXPRMDSA-N 1 2 340.467 2.434 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001007531143 1222279705 /nfs/dbraw/zinc/27/97/05/1222279705.db2.gz YSDAODVJSWLYHG-AQNXPRMDSA-N 1 2 340.467 2.434 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001008016303 1222567535 /nfs/dbraw/zinc/56/75/35/1222567535.db2.gz QKLWRCWQYCSKNB-LBPRGKRZSA-N 1 2 347.850 2.467 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001008016303 1222567542 /nfs/dbraw/zinc/56/75/42/1222567542.db2.gz QKLWRCWQYCSKNB-LBPRGKRZSA-N 1 2 347.850 2.467 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3cnco3)C2)ccc1F ZINC001008105991 1222625932 /nfs/dbraw/zinc/62/59/32/1222625932.db2.gz BFKQLTYBAACOOS-AWEZNQCLSA-N 1 2 328.347 2.080 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)c3cnco3)C2)ccc1F ZINC001008105991 1222625935 /nfs/dbraw/zinc/62/59/35/1222625935.db2.gz BFKQLTYBAACOOS-AWEZNQCLSA-N 1 2 328.347 2.080 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(CCC(N)=O)cc2)C1 ZINC001008486240 1222878143 /nfs/dbraw/zinc/87/81/43/1222878143.db2.gz LJWSYAYHKQRLAL-INIZCTEOSA-N 1 2 349.862 2.051 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(CCC(N)=O)cc2)C1 ZINC001008486240 1222878144 /nfs/dbraw/zinc/87/81/44/1222878144.db2.gz LJWSYAYHKQRLAL-INIZCTEOSA-N 1 2 349.862 2.051 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCCCN2C(C)=O)C1 ZINC001008826157 1223051527 /nfs/dbraw/zinc/05/15/27/1223051527.db2.gz HATZQERUEXNNEL-HZPDHXFCSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCCCN2C(C)=O)C1 ZINC001008826157 1223051530 /nfs/dbraw/zinc/05/15/30/1223051530.db2.gz HATZQERUEXNNEL-HZPDHXFCSA-N 1 2 341.883 2.111 20 30 EEEDLO Cc1ncsc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001010309232 1223653955 /nfs/dbraw/zinc/65/39/55/1223653955.db2.gz AVQZUQWLZFJKEN-LLVKDONJSA-N 1 2 332.454 2.389 20 30 EEEDLO Cc1ncsc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001010309232 1223653956 /nfs/dbraw/zinc/65/39/56/1223653956.db2.gz AVQZUQWLZFJKEN-LLVKDONJSA-N 1 2 332.454 2.389 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(F)nc3)C2)s1 ZINC001010386627 1223693820 /nfs/dbraw/zinc/69/38/20/1223693820.db2.gz ZTMXFJKTVCHKLZ-LBPRGKRZSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(F)nc3)C2)s1 ZINC001010386627 1223693821 /nfs/dbraw/zinc/69/38/21/1223693821.db2.gz ZTMXFJKTVCHKLZ-LBPRGKRZSA-N 1 2 330.388 2.158 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001010771178 1223899885 /nfs/dbraw/zinc/89/98/85/1223899885.db2.gz QKCPONGEASZULB-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)ns1 ZINC001010772709 1223900527 /nfs/dbraw/zinc/90/05/27/1223900527.db2.gz JIYDIEUIGNRCBI-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)ns1 ZINC001010772709 1223900531 /nfs/dbraw/zinc/90/05/31/1223900531.db2.gz JIYDIEUIGNRCBI-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO C=CCCC(=O)N(C)CCCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001066987422 1223961953 /nfs/dbraw/zinc/96/19/53/1223961953.db2.gz SOUBPXFPPBEEFQ-UHFFFAOYSA-N 1 2 346.475 2.035 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001014463312 1226646328 /nfs/dbraw/zinc/64/63/28/1226646328.db2.gz UUGITUMHKUHPNZ-ZNMIVQPWSA-N 1 2 335.473 2.123 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001014463312 1226646330 /nfs/dbraw/zinc/64/63/30/1226646330.db2.gz UUGITUMHKUHPNZ-ZNMIVQPWSA-N 1 2 335.473 2.123 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001014563634 1226779285 /nfs/dbraw/zinc/77/92/85/1226779285.db2.gz YJMIIETVFUPSJY-LLVKDONJSA-N 1 2 332.782 2.072 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)cc2C(F)F)C1 ZINC001014563634 1226779288 /nfs/dbraw/zinc/77/92/88/1226779288.db2.gz YJMIIETVFUPSJY-LLVKDONJSA-N 1 2 332.782 2.072 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cn1 ZINC001058267215 1248778931 /nfs/dbraw/zinc/77/89/31/1248778931.db2.gz RKSHRTTZBSQPJH-OAHLLOKOSA-N 1 2 346.394 2.228 20 30 EEEDLO Cc1ncc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)s1 ZINC001017489863 1227462486 /nfs/dbraw/zinc/46/24/86/1227462486.db2.gz MXFXLXCJFSUNFL-GASCZTMLSA-N 1 2 341.440 2.140 20 30 EEEDLO Cc1ncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)s1 ZINC001017489863 1227462494 /nfs/dbraw/zinc/46/24/94/1227462494.db2.gz MXFXLXCJFSUNFL-GASCZTMLSA-N 1 2 341.440 2.140 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC001017617478 1227575158 /nfs/dbraw/zinc/57/51/58/1227575158.db2.gz NHODYNLWNGJEFO-IYBDPMFKSA-N 1 2 335.407 2.253 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC001017617478 1227575166 /nfs/dbraw/zinc/57/51/66/1227575166.db2.gz NHODYNLWNGJEFO-IYBDPMFKSA-N 1 2 335.407 2.253 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1([C@H]2CCCCO2)CCC1 ZINC001017730624 1227683899 /nfs/dbraw/zinc/68/38/99/1227683899.db2.gz QWDXIIIIMKRATA-FGTMMUONSA-N 1 2 330.472 2.424 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1([C@H]2CCCCO2)CCC1 ZINC001017730624 1227683902 /nfs/dbraw/zinc/68/39/02/1227683902.db2.gz QWDXIIIIMKRATA-FGTMMUONSA-N 1 2 330.472 2.424 20 30 EEEDLO C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC001017746362 1227696455 /nfs/dbraw/zinc/69/64/55/1227696455.db2.gz CLQOFYZVIKKSJU-BSXFFOKHSA-N 1 2 328.460 2.327 20 30 EEEDLO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC001017746362 1227696460 /nfs/dbraw/zinc/69/64/60/1227696460.db2.gz CLQOFYZVIKKSJU-BSXFFOKHSA-N 1 2 328.460 2.327 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(C)CCCC2)C1=O ZINC001017776667 1227720820 /nfs/dbraw/zinc/72/08/20/1227720820.db2.gz JZVIERKNEKRIOG-IXDOHACOSA-N 1 2 345.487 2.029 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(C)CCCC2)C1=O ZINC001017776667 1227720827 /nfs/dbraw/zinc/72/08/27/1227720827.db2.gz JZVIERKNEKRIOG-IXDOHACOSA-N 1 2 345.487 2.029 20 30 EEEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(C)nn(C)c2s1 ZINC001017781953 1227727905 /nfs/dbraw/zinc/72/79/05/1227727905.db2.gz OXZXFYATYOIFRW-BETUJISGSA-N 1 2 330.457 2.418 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(C)nn(C)c2s1 ZINC001017781953 1227727909 /nfs/dbraw/zinc/72/79/09/1227727909.db2.gz OXZXFYATYOIFRW-BETUJISGSA-N 1 2 330.457 2.418 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(CF)CC2)c1 ZINC001017931269 1227883370 /nfs/dbraw/zinc/88/33/70/1227883370.db2.gz DOLNTAVGNXCOOD-CALCHBBNSA-N 1 2 327.403 2.483 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2(CF)CC2)c1 ZINC001017931269 1227883374 /nfs/dbraw/zinc/88/33/74/1227883374.db2.gz DOLNTAVGNXCOOD-CALCHBBNSA-N 1 2 327.403 2.483 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC001019332374 1228999466 /nfs/dbraw/zinc/99/94/66/1228999466.db2.gz OKQRMFVKEDFWTR-ZUZCIYMTSA-N 1 2 328.363 2.300 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C1=CCOCC1 ZINC001038183033 1229679720 /nfs/dbraw/zinc/67/97/20/1229679720.db2.gz FRUOZOWHGQXBKI-GOSISDBHSA-N 1 2 344.842 2.229 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C1=CCOCC1 ZINC001038183033 1229679721 /nfs/dbraw/zinc/67/97/21/1229679721.db2.gz FRUOZOWHGQXBKI-GOSISDBHSA-N 1 2 344.842 2.229 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038267767 1229713143 /nfs/dbraw/zinc/71/31/43/1229713143.db2.gz ZPBVLDYWVOXXTF-XYPHTWIQSA-N 1 2 345.468 2.291 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038267767 1229713148 /nfs/dbraw/zinc/71/31/48/1229713148.db2.gz ZPBVLDYWVOXXTF-XYPHTWIQSA-N 1 2 345.468 2.291 20 30 EEEDLO N#Cc1ccccc1CN1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038414877 1229799287 /nfs/dbraw/zinc/79/92/87/1229799287.db2.gz FXCSHAYCMJBALP-QGZVFWFLSA-N 1 2 345.406 2.439 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)c1cccn2nccc12 ZINC001038451970 1229834287 /nfs/dbraw/zinc/83/42/87/1229834287.db2.gz AYJXCCALRLRFFG-GOSISDBHSA-N 1 2 344.418 2.190 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)c1cccn2nccc12 ZINC001038451970 1229834293 /nfs/dbraw/zinc/83/42/93/1229834293.db2.gz AYJXCCALRLRFFG-GOSISDBHSA-N 1 2 344.418 2.190 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccnc(N(C)C)c2)cc1 ZINC001038577616 1229925411 /nfs/dbraw/zinc/92/54/11/1229925411.db2.gz BCPIOJWIQBXPPE-LJQANCHMSA-N 1 2 348.450 2.133 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccnc(N(C)C)c2)cc1 ZINC001038577616 1229925415 /nfs/dbraw/zinc/92/54/15/1229925415.db2.gz BCPIOJWIQBXPPE-LJQANCHMSA-N 1 2 348.450 2.133 20 30 EEEDLO CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)cn1 ZINC001038767044 1230035978 /nfs/dbraw/zinc/03/59/78/1230035978.db2.gz KHECVVDMVQCXEC-SFHVURJKSA-N 1 2 337.427 2.169 20 30 EEEDLO CCCn1cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)cn1 ZINC001038767044 1230035981 /nfs/dbraw/zinc/03/59/81/1230035981.db2.gz KHECVVDMVQCXEC-SFHVURJKSA-N 1 2 337.427 2.169 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnc(C3CC3)nc2)cc1 ZINC001038772641 1230041280 /nfs/dbraw/zinc/04/12/80/1230041280.db2.gz BYNSTGGQRYSVKF-SFHVURJKSA-N 1 2 347.422 2.230 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnc(C3CC3)nc2)cc1 ZINC001038772641 1230041286 /nfs/dbraw/zinc/04/12/86/1230041286.db2.gz BYNSTGGQRYSVKF-SFHVURJKSA-N 1 2 347.422 2.230 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cncc(C)c1 ZINC001038796544 1230063642 /nfs/dbraw/zinc/06/36/42/1230063642.db2.gz MQFRSZKFSOWWJH-FHWLQOOXSA-N 1 2 343.471 2.452 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cncc(C)c1 ZINC001038796544 1230063645 /nfs/dbraw/zinc/06/36/45/1230063645.db2.gz MQFRSZKFSOWWJH-FHWLQOOXSA-N 1 2 343.471 2.452 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(F)cc1 ZINC001038808457 1230071919 /nfs/dbraw/zinc/07/19/19/1230071919.db2.gz QUPLLMYULAIEHN-SQNIBIBYSA-N 1 2 332.419 2.497 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(F)cc1 ZINC001038808457 1230071924 /nfs/dbraw/zinc/07/19/24/1230071924.db2.gz QUPLLMYULAIEHN-SQNIBIBYSA-N 1 2 332.419 2.497 20 30 EEEDLO CC1(Nc2ccc(C#N)cn2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001067282834 1230286915 /nfs/dbraw/zinc/28/69/15/1230286915.db2.gz PBDRRHNGDQWWBS-UHFFFAOYSA-N 1 2 338.415 2.033 20 30 EEEDLO C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131839 1230340797 /nfs/dbraw/zinc/34/07/97/1230340797.db2.gz XGKCXKOOVJCNAG-UONOGXRCSA-N 1 2 334.357 2.471 20 30 EEEDLO C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131839 1230340804 /nfs/dbraw/zinc/34/08/04/1230340804.db2.gz XGKCXKOOVJCNAG-UONOGXRCSA-N 1 2 334.357 2.471 20 30 EEEDLO C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC001039131839 1230340808 /nfs/dbraw/zinc/34/08/08/1230340808.db2.gz XGKCXKOOVJCNAG-UONOGXRCSA-N 1 2 334.357 2.471 20 30 EEEDLO C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC001039131839 1230340812 /nfs/dbraw/zinc/34/08/12/1230340812.db2.gz XGKCXKOOVJCNAG-UONOGXRCSA-N 1 2 334.357 2.471 20 30 EEEDLO C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001039414767 1230595172 /nfs/dbraw/zinc/59/51/72/1230595172.db2.gz MTXJUHGAQWMZPX-MSOLQXFVSA-N 1 2 349.438 2.174 20 30 EEEDLO C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001039414767 1230595173 /nfs/dbraw/zinc/59/51/73/1230595173.db2.gz MTXJUHGAQWMZPX-MSOLQXFVSA-N 1 2 349.438 2.174 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(COC)on1 ZINC001039450171 1230617623 /nfs/dbraw/zinc/61/76/23/1230617623.db2.gz NHOAEXULKAATLF-OLZOCXBDSA-N 1 2 339.823 2.252 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(COC)on1 ZINC001039450171 1230617624 /nfs/dbraw/zinc/61/76/24/1230617624.db2.gz NHOAEXULKAATLF-OLZOCXBDSA-N 1 2 339.823 2.252 20 30 EEEDLO C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]cc1Br ZINC001039453868 1230620846 /nfs/dbraw/zinc/62/08/46/1230620846.db2.gz VMFGAQDIUBRGHN-MNOVXSKESA-N 1 2 339.237 2.037 20 30 EEEDLO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]cc1Br ZINC001039453868 1230620848 /nfs/dbraw/zinc/62/08/48/1230620848.db2.gz VMFGAQDIUBRGHN-MNOVXSKESA-N 1 2 339.237 2.037 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)CCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001067298943 1230650687 /nfs/dbraw/zinc/65/06/87/1230650687.db2.gz FCZAIVNCPNOPER-UHFFFAOYSA-N 1 2 334.464 2.252 20 30 EEEDLO Cn1cnc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)c1 ZINC001039543963 1230686395 /nfs/dbraw/zinc/68/63/95/1230686395.db2.gz LJMOBKPNWVZAOY-HDICACEKSA-N 1 2 349.438 2.171 20 30 EEEDLO Cn1cnc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)c1 ZINC001039543963 1230686398 /nfs/dbraw/zinc/68/63/98/1230686398.db2.gz LJMOBKPNWVZAOY-HDICACEKSA-N 1 2 349.438 2.171 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CN(c3cc[nH+]c(C)n3)CCCO2)CC1 ZINC001039922854 1230908842 /nfs/dbraw/zinc/90/88/42/1230908842.db2.gz QXOFCDVFRDWMTJ-QGZVFWFLSA-N 1 2 344.459 2.243 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cn(CC)nn1)C2 ZINC001040324441 1231170530 /nfs/dbraw/zinc/17/05/30/1231170530.db2.gz VHHCRVVUDXMWSA-LJQANCHMSA-N 1 2 345.491 2.325 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cn(CC)nn1)C2 ZINC001040324441 1231170531 /nfs/dbraw/zinc/17/05/31/1231170531.db2.gz VHHCRVVUDXMWSA-LJQANCHMSA-N 1 2 345.491 2.325 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2nnc(C)[nH]2)C3)C1 ZINC001040381099 1231196387 /nfs/dbraw/zinc/19/63/87/1231196387.db2.gz VIFWUZUNHCZZSS-IBGZPJMESA-N 1 2 343.475 2.284 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2nnc(C)[nH]2)C3)C1 ZINC001040381099 1231196391 /nfs/dbraw/zinc/19/63/91/1231196391.db2.gz VIFWUZUNHCZZSS-IBGZPJMESA-N 1 2 343.475 2.284 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H](CNc3cc[nH+]c(C)n3)[C@H](C)C2)cn1 ZINC001040424573 1231224100 /nfs/dbraw/zinc/22/41/00/1231224100.db2.gz PQROOSDDUIEYCC-ZBFHGGJFSA-N 1 2 349.438 2.372 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@@H+]([C@@H](C)c3nnc(C)[nH]3)C2)C1 ZINC001041542844 1231588548 /nfs/dbraw/zinc/58/85/48/1231588548.db2.gz GJUROBJZYAXWOI-UGSOOPFHSA-N 1 2 331.464 2.311 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@H+]([C@@H](C)c3nnc(C)[nH]3)C2)C1 ZINC001041542844 1231588551 /nfs/dbraw/zinc/58/85/51/1231588551.db2.gz GJUROBJZYAXWOI-UGSOOPFHSA-N 1 2 331.464 2.311 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3cc[nH+]c(C)n3)C23CCC3)nc1 ZINC001041593891 1231614148 /nfs/dbraw/zinc/61/41/48/1231614148.db2.gz CGRHQDAABFKYLL-SJORKVTESA-N 1 2 347.422 2.314 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH]cc4ncnc3-4)C[C@@H]21 ZINC001042067468 1231865537 /nfs/dbraw/zinc/86/55/37/1231865537.db2.gz QERKPOLLPSCGJM-WFASDCNBSA-N 1 2 345.834 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3c[nH]cc4ncnc3-4)C[C@@H]21 ZINC001042067468 1231865540 /nfs/dbraw/zinc/86/55/40/1231865540.db2.gz QERKPOLLPSCGJM-WFASDCNBSA-N 1 2 345.834 2.247 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4cnn(CC)n4)[C@H]3C2)C1 ZINC001042225109 1231967584 /nfs/dbraw/zinc/96/75/84/1231967584.db2.gz VWMNPZLOHBYLHM-RDJZCZTQSA-N 1 2 343.475 2.077 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@H+](Cc4cnn(CC)n4)[C@H]3C2)C1 ZINC001042225109 1231967586 /nfs/dbraw/zinc/96/75/86/1231967586.db2.gz VWMNPZLOHBYLHM-RDJZCZTQSA-N 1 2 343.475 2.077 20 30 EEEDLO Cc1cccc(OCC[NH+]2CC(N(C)C(=O)c3ccc(C#N)[nH]3)C2)c1 ZINC001042628362 1232124666 /nfs/dbraw/zinc/12/46/66/1232124666.db2.gz GRFKCPDFKUVBMV-UHFFFAOYSA-N 1 2 338.411 2.030 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001043478088 1232448890 /nfs/dbraw/zinc/44/88/90/1232448890.db2.gz BSOBKJBVBWONQK-RVZJWNSFSA-N 1 2 342.447 2.224 20 30 EEEDLO C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1Nc1ccc(C#N)cn1 ZINC001043605827 1232506758 /nfs/dbraw/zinc/50/67/58/1232506758.db2.gz AHALHOWZQFNTHL-SJKOYZFVSA-N 1 2 346.394 2.402 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](Cc2ccc(COC)cc2)C1 ZINC001043902210 1232620800 /nfs/dbraw/zinc/62/08/00/1232620800.db2.gz FTHIPNQAOUFWEZ-MOPGFXCFSA-N 1 2 344.455 2.067 20 30 EEEDLO C[C@@]1(NC(=O)c2ccn[nH]2)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046157148 1234499206 /nfs/dbraw/zinc/49/92/06/1234499206.db2.gz DBGQYOMYASOSIT-GOSISDBHSA-N 1 2 342.830 2.309 20 30 EEEDLO C[C@@]1(NC(=O)c2ccn[nH]2)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046157148 1234499207 /nfs/dbraw/zinc/49/92/07/1234499207.db2.gz DBGQYOMYASOSIT-GOSISDBHSA-N 1 2 342.830 2.309 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)c2ccn(C)c2)C1 ZINC001046238439 1234584244 /nfs/dbraw/zinc/58/42/44/1234584244.db2.gz ICKOSLHYCFJFIV-CQSZACIVSA-N 1 2 326.238 2.128 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccn(C)c2)C1 ZINC001046238439 1234584248 /nfs/dbraw/zinc/58/42/48/1234584248.db2.gz ICKOSLHYCFJFIV-CQSZACIVSA-N 1 2 326.238 2.128 20 30 EEEDLO CC(C)c1cnc(C[N@@H+]2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001046252984 1234596873 /nfs/dbraw/zinc/59/68/73/1234596873.db2.gz NXCMKCWUXXDTEI-SFHVURJKSA-N 1 2 341.415 2.392 20 30 EEEDLO CC(C)c1cnc(C[N@H+]2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001046252984 1234596874 /nfs/dbraw/zinc/59/68/74/1234596874.db2.gz NXCMKCWUXXDTEI-SFHVURJKSA-N 1 2 341.415 2.392 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)c2c(C)ccn2C)C1 ZINC001046265607 1234610121 /nfs/dbraw/zinc/61/01/21/1234610121.db2.gz BKUGEADPIJJRNW-HNNXBMFYSA-N 1 2 340.265 2.436 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)c2c(C)ccn2C)C1 ZINC001046265607 1234610118 /nfs/dbraw/zinc/61/01/18/1234610118.db2.gz BKUGEADPIJJRNW-HNNXBMFYSA-N 1 2 340.265 2.436 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001046680567 1235068848 /nfs/dbraw/zinc/06/88/48/1235068848.db2.gz FHKRAQPEIKTCOH-MRXNPFEDSA-N 1 2 336.823 2.006 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001046680567 1235068850 /nfs/dbraw/zinc/06/88/50/1235068850.db2.gz FHKRAQPEIKTCOH-MRXNPFEDSA-N 1 2 336.823 2.006 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2[nH]ncc2Br)C1 ZINC001046705473 1235092058 /nfs/dbraw/zinc/09/20/58/1235092058.db2.gz ARFNGNGMUVLKRV-LBPRGKRZSA-N 1 2 347.644 2.119 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2[nH]ncc2Br)C1 ZINC001046705473 1235092059 /nfs/dbraw/zinc/09/20/59/1235092059.db2.gz ARFNGNGMUVLKRV-LBPRGKRZSA-N 1 2 347.644 2.119 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnn3cccc(OC)c23)C1 ZINC001046707447 1235094456 /nfs/dbraw/zinc/09/44/56/1235094456.db2.gz WIWQBCRQMJGFJP-KRWDZBQOSA-N 1 2 348.834 2.290 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnn3cccc(OC)c23)C1 ZINC001046707447 1235094458 /nfs/dbraw/zinc/09/44/58/1235094458.db2.gz WIWQBCRQMJGFJP-KRWDZBQOSA-N 1 2 348.834 2.290 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)n1 ZINC001096135598 1235309232 /nfs/dbraw/zinc/30/92/32/1235309232.db2.gz WENNIRDCCKMYRC-SQNIBIBYSA-N 1 2 334.423 2.105 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)n1 ZINC001096135598 1235309236 /nfs/dbraw/zinc/30/92/36/1235309236.db2.gz WENNIRDCCKMYRC-SQNIBIBYSA-N 1 2 334.423 2.105 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096203310 1236154174 /nfs/dbraw/zinc/15/41/74/1236154174.db2.gz MEVGVKAZWMRWRH-MRXNPFEDSA-N 1 2 344.459 2.033 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001047536536 1236164557 /nfs/dbraw/zinc/16/45/57/1236164557.db2.gz YRIRTFBSINMQQH-LZWOXQAQSA-N 1 2 344.459 2.050 20 30 EEEDLO CCC(C)(C)CC(=O)NCC[NH+]1CCN(c2ccncc2C#N)CC1 ZINC001096288532 1237132391 /nfs/dbraw/zinc/13/23/91/1237132391.db2.gz OEIGVNHKSCBMOP-UHFFFAOYSA-N 1 2 343.475 2.018 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001096393863 1238186611 /nfs/dbraw/zinc/18/66/11/1238186611.db2.gz TVPIXFXSDSYKHH-CABCVRRESA-N 1 2 332.448 2.194 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)CCn1cc[nH+]c1 ZINC001056433830 1239374748 /nfs/dbraw/zinc/37/47/48/1239374748.db2.gz UUULQBJIWVDMTE-SJORKVTESA-N 1 2 344.459 2.221 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056527071 1239430691 /nfs/dbraw/zinc/43/06/91/1239430691.db2.gz MXTQXICPEXGTFA-BZUAXINKSA-N 1 2 344.459 2.146 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056575026 1239443450 /nfs/dbraw/zinc/44/34/50/1239443450.db2.gz WCWIDJTUQVJGNE-BHYGNILZSA-N 1 2 344.459 2.146 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C2)n1 ZINC001056733744 1239742168 /nfs/dbraw/zinc/74/21/68/1239742168.db2.gz ZVIAXJDSXOJEFO-OAHLLOKOSA-N 1 2 346.394 2.236 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)co1 ZINC001049432509 1240900503 /nfs/dbraw/zinc/90/05/03/1240900503.db2.gz VEIGGOMQTCYZIU-SJORKVTESA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)co1 ZINC001049432509 1240900508 /nfs/dbraw/zinc/90/05/08/1240900508.db2.gz VEIGGOMQTCYZIU-SJORKVTESA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C#CC2CC2)cs1 ZINC001049456782 1240972070 /nfs/dbraw/zinc/97/20/70/1240972070.db2.gz OUIXOINKGVAQIP-IRXDYDNUSA-N 1 2 329.469 2.430 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C#CC2CC2)cs1 ZINC001049456782 1240972073 /nfs/dbraw/zinc/97/20/73/1240972073.db2.gz OUIXOINKGVAQIP-IRXDYDNUSA-N 1 2 329.469 2.430 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn(C)c(C)cc1=O ZINC001049538369 1241301538 /nfs/dbraw/zinc/30/15/38/1241301538.db2.gz RRRPSQXSVXOXID-HOTGVXAUSA-N 1 2 349.862 2.125 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cn(C)c(C)cc1=O ZINC001049538369 1241301549 /nfs/dbraw/zinc/30/15/49/1241301549.db2.gz RRRPSQXSVXOXID-HOTGVXAUSA-N 1 2 349.862 2.125 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2ncccn2)cc1 ZINC001049628902 1241696320 /nfs/dbraw/zinc/69/63/20/1241696320.db2.gz DOJXBMAFOFOIRX-OALUTQOASA-N 1 2 346.434 2.337 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2ncccn2)cc1 ZINC001049628902 1241696330 /nfs/dbraw/zinc/69/63/30/1241696330.db2.gz DOJXBMAFOFOIRX-OALUTQOASA-N 1 2 346.434 2.337 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2nccn2C)cc1 ZINC001049630633 1241701333 /nfs/dbraw/zinc/70/13/33/1241701333.db2.gz OFKMGZWJDIRJDM-RTBURBONSA-N 1 2 348.450 2.281 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2nccn2C)cc1 ZINC001049630633 1241701342 /nfs/dbraw/zinc/70/13/42/1241701342.db2.gz OFKMGZWJDIRJDM-RTBURBONSA-N 1 2 348.450 2.281 20 30 EEEDLO C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1n[nH]c(C)c1C(F)(F)F ZINC001049716201 1241973041 /nfs/dbraw/zinc/97/30/41/1241973041.db2.gz BWEYVKMEAIGNGU-NWDGAFQWSA-N 1 2 340.349 2.049 20 30 EEEDLO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1n[nH]c(C)c1C(F)(F)F ZINC001049716201 1241973048 /nfs/dbraw/zinc/97/30/48/1241973048.db2.gz BWEYVKMEAIGNGU-NWDGAFQWSA-N 1 2 340.349 2.049 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)c2nocc2C)CC1 ZINC001001348488 1242107870 /nfs/dbraw/zinc/10/78/70/1242107870.db2.gz WPZFSTUSMPHWQT-UHFFFAOYSA-N 1 2 340.221 2.254 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)c2nocc2C)CC1 ZINC001001348488 1242107875 /nfs/dbraw/zinc/10/78/75/1242107875.db2.gz WPZFSTUSMPHWQT-UHFFFAOYSA-N 1 2 340.221 2.254 20 30 EEEDLO C=C[C@H](C(=O)N1CC2(C1)CC[N@H+](Cc1ncccn1)C2)c1ccccc1 ZINC001073451177 1242496452 /nfs/dbraw/zinc/49/64/52/1242496452.db2.gz WQRJHMOUIAQEPE-SFHVURJKSA-N 1 2 348.450 2.481 20 30 EEEDLO C=C[C@H](C(=O)N1CC2(C1)CC[N@@H+](Cc1ncccn1)C2)c1ccccc1 ZINC001073451177 1242496462 /nfs/dbraw/zinc/49/64/62/1242496462.db2.gz WQRJHMOUIAQEPE-SFHVURJKSA-N 1 2 348.450 2.481 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001073480930 1242531048 /nfs/dbraw/zinc/53/10/48/1242531048.db2.gz JBDNLEMVOKNKLO-HNNXBMFYSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001073518672 1242548876 /nfs/dbraw/zinc/54/88/76/1242548876.db2.gz VDMTUKWZZMFOOE-OAHLLOKOSA-N 1 2 332.448 2.052 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001050000145 1242559251 /nfs/dbraw/zinc/55/92/51/1242559251.db2.gz RGIYKSRWGMYKMJ-DHSIGJKJSA-N 1 2 340.402 2.280 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001050000145 1242559266 /nfs/dbraw/zinc/55/92/66/1242559266.db2.gz RGIYKSRWGMYKMJ-DHSIGJKJSA-N 1 2 340.402 2.280 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001073983651 1242863096 /nfs/dbraw/zinc/86/30/96/1242863096.db2.gz UJUNCGRLRANJBL-WBVHZDCISA-N 1 2 344.459 2.005 20 30 EEEDLO Cc1cnc(C[N@H+](C)C[C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)o1 ZINC001073984650 1242864962 /nfs/dbraw/zinc/86/49/62/1242864962.db2.gz UDHGCNIPXOSTKO-OAHLLOKOSA-N 1 2 341.415 2.310 20 30 EEEDLO Cc1cnc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)o1 ZINC001073984650 1242864973 /nfs/dbraw/zinc/86/49/73/1242864973.db2.gz UDHGCNIPXOSTKO-OAHLLOKOSA-N 1 2 341.415 2.310 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC[C@@H](Nc1cc[nH+]c(C)n1)C1CC1 ZINC001096707175 1243135017 /nfs/dbraw/zinc/13/50/17/1243135017.db2.gz WZNJERYMPZZMPS-GOSISDBHSA-N 1 2 334.423 2.316 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001096963815 1243496065 /nfs/dbraw/zinc/49/60/65/1243496065.db2.gz VYCTYMHCQYVNGO-AWEZNQCLSA-N 1 2 340.431 2.145 20 30 EEEDLO Cc1nsc(N[C@H]2CCN(C(=O)CCCn3cc[nH+]c3)C2)c1C#N ZINC001096944267 1243519547 /nfs/dbraw/zinc/51/95/47/1243519547.db2.gz XYWFOFGYVFMTJE-ZDUSSCGKSA-N 1 2 344.444 2.013 20 30 EEEDLO Cc1cc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)[nH]n1 ZINC001096943101 1243520138 /nfs/dbraw/zinc/52/01/38/1243520138.db2.gz XFZRBOPTOXUBAW-QRVBRYPASA-N 1 2 349.438 2.054 20 30 EEEDLO Cc1cc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)[nH]n1 ZINC001096943101 1243520149 /nfs/dbraw/zinc/52/01/49/1243520149.db2.gz XFZRBOPTOXUBAW-QRVBRYPASA-N 1 2 349.438 2.054 20 30 EEEDLO Cc1cc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)n[nH]1 ZINC001096943101 1243520163 /nfs/dbraw/zinc/52/01/63/1243520163.db2.gz XFZRBOPTOXUBAW-QRVBRYPASA-N 1 2 349.438 2.054 20 30 EEEDLO Cc1cc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)n[nH]1 ZINC001096943101 1243520173 /nfs/dbraw/zinc/52/01/73/1243520173.db2.gz XFZRBOPTOXUBAW-QRVBRYPASA-N 1 2 349.438 2.054 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001051138699 1243858096 /nfs/dbraw/zinc/85/80/96/1243858096.db2.gz ZVRBPOCPPTWEFD-QGZVFWFLSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001051138699 1243858103 /nfs/dbraw/zinc/85/81/03/1243858103.db2.gz ZVRBPOCPPTWEFD-QGZVFWFLSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](CNc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001097364679 1244080949 /nfs/dbraw/zinc/08/09/49/1244080949.db2.gz XGENBFSQJGDKDM-OAHLLOKOSA-N 1 2 343.475 2.081 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](CNc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001097364679 1244080961 /nfs/dbraw/zinc/08/09/61/1244080961.db2.gz XGENBFSQJGDKDM-OAHLLOKOSA-N 1 2 343.475 2.081 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N(C)C)nc1)C2 ZINC001097402859 1244109292 /nfs/dbraw/zinc/10/92/92/1244109292.db2.gz KLZYBEIEZGSFIN-KFWWJZLASA-N 1 2 334.851 2.235 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N(C)C)nc1)C2 ZINC001097402859 1244109297 /nfs/dbraw/zinc/10/92/97/1244109297.db2.gz KLZYBEIEZGSFIN-KFWWJZLASA-N 1 2 334.851 2.235 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@H]1CNc1ncnc2c1C[N@H+](C)CC2 ZINC001097474578 1244230812 /nfs/dbraw/zinc/23/08/12/1244230812.db2.gz MRPQLRNYQFWQLA-HNNXBMFYSA-N 1 2 343.475 2.224 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@H]1CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001097474578 1244230823 /nfs/dbraw/zinc/23/08/23/1244230823.db2.gz MRPQLRNYQFWQLA-HNNXBMFYSA-N 1 2 343.475 2.224 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001050815983 1244431471 /nfs/dbraw/zinc/43/14/71/1244431471.db2.gz JWUMLSAOFASZIL-DOTOQJQBSA-N 1 2 344.459 2.005 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001050844496 1244479091 /nfs/dbraw/zinc/47/90/91/1244479091.db2.gz NVSGDGBOBXUHLA-DZGCQCFKSA-N 1 2 346.475 2.216 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1coc(Br)c1 ZINC001050944688 1244686185 /nfs/dbraw/zinc/68/61/85/1244686185.db2.gz CIAGQZUSUQHBFB-GFCCVEGCSA-N 1 2 343.221 2.049 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1coc(Br)c1 ZINC001050944688 1244686196 /nfs/dbraw/zinc/68/61/96/1244686196.db2.gz CIAGQZUSUQHBFB-GFCCVEGCSA-N 1 2 343.221 2.049 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1coc(C(F)(F)F)n1 ZINC001051006534 1244831149 /nfs/dbraw/zinc/83/11/49/1244831149.db2.gz SPHZVYAJESCSHN-NSHDSACASA-N 1 2 347.337 2.090 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1coc(C(F)(F)F)n1 ZINC001051006534 1244831158 /nfs/dbraw/zinc/83/11/58/1244831158.db2.gz SPHZVYAJESCSHN-NSHDSACASA-N 1 2 347.337 2.090 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001051015126 1244853131 /nfs/dbraw/zinc/85/31/31/1244853131.db2.gz FAJVSIRRFIGDOO-INIZCTEOSA-N 1 2 344.455 2.363 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001051015126 1244853138 /nfs/dbraw/zinc/85/31/38/1244853138.db2.gz FAJVSIRRFIGDOO-INIZCTEOSA-N 1 2 344.455 2.363 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC001051026219 1244871880 /nfs/dbraw/zinc/87/18/80/1244871880.db2.gz NZAROGPXZFDYSJ-PKOBYXMFSA-N 1 2 344.455 2.082 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2cc(C)ccc2O1 ZINC001051026219 1244871887 /nfs/dbraw/zinc/87/18/87/1244871887.db2.gz NZAROGPXZFDYSJ-PKOBYXMFSA-N 1 2 344.455 2.082 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C)nc1C1CC1 ZINC001051046882 1244905630 /nfs/dbraw/zinc/90/56/30/1244905630.db2.gz WSCYCJVICLAHHZ-INIZCTEOSA-N 1 2 329.444 2.274 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C)nc1C1CC1 ZINC001051046882 1244905638 /nfs/dbraw/zinc/90/56/38/1244905638.db2.gz WSCYCJVICLAHHZ-INIZCTEOSA-N 1 2 329.444 2.274 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@@H+]2CCCC2CCC2)c1 ZINC001051107975 1244992295 /nfs/dbraw/zinc/99/22/95/1244992295.db2.gz WBBQZTMRDQHZQC-LJQANCHMSA-N 1 2 341.455 2.074 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@H+]2CCCC2CCC2)c1 ZINC001051107975 1244992303 /nfs/dbraw/zinc/99/23/03/1244992303.db2.gz WBBQZTMRDQHZQC-LJQANCHMSA-N 1 2 341.455 2.074 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(F)cc2cccnc21 ZINC001051144674 1245043020 /nfs/dbraw/zinc/04/30/20/1245043020.db2.gz WHJIRYYBHBHYLY-MRXNPFEDSA-N 1 2 343.402 2.381 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(F)cc2cccnc21 ZINC001051144674 1245043024 /nfs/dbraw/zinc/04/30/24/1245043024.db2.gz WHJIRYYBHBHYLY-MRXNPFEDSA-N 1 2 343.402 2.381 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001101252094 1245573377 /nfs/dbraw/zinc/57/33/77/1245573377.db2.gz AXWULYPMHGEINX-DYVFJYSZSA-N 1 2 334.489 2.421 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001101252094 1245573382 /nfs/dbraw/zinc/57/33/82/1245573382.db2.gz AXWULYPMHGEINX-DYVFJYSZSA-N 1 2 334.489 2.421 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001051459150 1245746885 /nfs/dbraw/zinc/74/68/85/1245746885.db2.gz FZXASNYYMFWRHI-HZPDHXFCSA-N 1 2 346.475 2.062 20 30 EEEDLO Cc1ccc(C)c([C@H](C)[NH+]2CC3(C2)CN(C(=O)[C@H](C)C#N)CCO3)c1 ZINC001053190891 1246029969 /nfs/dbraw/zinc/02/99/69/1246029969.db2.gz HNYANWGHLIANMN-SJORKVTESA-N 1 2 341.455 2.437 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CCC[C@@H](OC)C1)CCO2 ZINC001053280087 1246136382 /nfs/dbraw/zinc/13/63/82/1246136382.db2.gz APAHEPZACVALCU-DLBZAZTESA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[C@H]1C(F)F)CCO2 ZINC001053286311 1246142619 /nfs/dbraw/zinc/14/26/19/1246142619.db2.gz YXTRQSXRKUESRB-ZIAGYGMSSA-N 1 2 328.403 2.157 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnc(C)nc1C(C)C)CCO2 ZINC001053459609 1246358089 /nfs/dbraw/zinc/35/80/89/1246358089.db2.gz UCCCHQBJLJDAPB-UHFFFAOYSA-N 1 2 344.459 2.011 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([NH+]2CCN(CC(=C)C)CC2)C1 ZINC001052036771 1246404729 /nfs/dbraw/zinc/40/47/29/1246404729.db2.gz VAILLMIKZBOGDR-GOSISDBHSA-N 1 2 342.487 2.082 20 30 EEEDLO Cc1cc(Cl)ccc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052076551 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C=CCCOCC(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Br ZINC001157213814 1318491737 /nfs/dbraw/zinc/49/17/37/1318491737.db2.gz QTRWBQVPBDVDHC-CYBMUJFWSA-N 1 2 333.270 2.314 20 30 EEEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC ZINC001256287037 1318701302 /nfs/dbraw/zinc/70/13/02/1318701302.db2.gz LEVGUGJVKOGZGK-UGSOOPFHSA-N 1 2 338.448 2.483 20 30 EEEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nccc(C)n1 ZINC001157884629 1318915881 /nfs/dbraw/zinc/91/58/81/1318915881.db2.gz CRUJOJANHWBIIJ-QGZVFWFLSA-N 1 2 328.460 2.401 20 30 EEEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nccc(C)n1 ZINC001157884629 1318915887 /nfs/dbraw/zinc/91/58/87/1318915887.db2.gz CRUJOJANHWBIIJ-QGZVFWFLSA-N 1 2 328.460 2.401 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc(C)on1 ZINC001158966375 1319535830 /nfs/dbraw/zinc/53/58/30/1319535830.db2.gz HAKAWYXMFQUYBE-NVXWUHKLSA-N 1 2 335.448 2.387 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc(C)on1 ZINC001158966375 1319535837 /nfs/dbraw/zinc/53/58/37/1319535837.db2.gz HAKAWYXMFQUYBE-NVXWUHKLSA-N 1 2 335.448 2.387 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NCCC2=CC[N@H+](Cc3cscn3)CC2)c1 ZINC001159739328 1319974133 /nfs/dbraw/zinc/97/41/33/1319974133.db2.gz PGWITDWLBWVOOM-UHFFFAOYSA-N 1 2 341.440 2.295 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NCCC2=CC[N@@H+](Cc3cscn3)CC2)c1 ZINC001159739328 1319974135 /nfs/dbraw/zinc/97/41/35/1319974135.db2.gz PGWITDWLBWVOOM-UHFFFAOYSA-N 1 2 341.440 2.295 20 30 EEEDLO N#Cc1nc(Cl)c(NCC[NH+]2CCC(F)(F)CC2)nc1C#N ZINC001160749239 1320257723 /nfs/dbraw/zinc/25/77/23/1320257723.db2.gz NPWKLXRBIFOJHR-UHFFFAOYSA-N 1 2 326.738 2.016 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@H+](Cc2cnn(C)n2)CC1 ZINC001160991185 1320345908 /nfs/dbraw/zinc/34/59/08/1320345908.db2.gz MMTJFQLVEYTTBK-OAHLLOKOSA-N 1 2 331.464 2.056 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCCC1=CC[N@@H+](Cc2cnn(C)n2)CC1 ZINC001160991185 1320345914 /nfs/dbraw/zinc/34/59/14/1320345914.db2.gz MMTJFQLVEYTTBK-OAHLLOKOSA-N 1 2 331.464 2.056 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001161258496 1320437421 /nfs/dbraw/zinc/43/74/21/1320437421.db2.gz PQKBFGXUABTACC-CVEARBPZSA-N 1 2 347.484 2.373 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001161258496 1320437424 /nfs/dbraw/zinc/43/74/24/1320437424.db2.gz PQKBFGXUABTACC-CVEARBPZSA-N 1 2 347.484 2.373 20 30 EEEDLO CCOC(=O)[C@H]([NH3+])CNc1nc2cc(F)ccc2c(Cl)c1C#N ZINC001161950861 1320690171 /nfs/dbraw/zinc/69/01/71/1320690171.db2.gz PDJSMWUYUYFJTL-LLVKDONJSA-N 1 2 336.754 2.201 20 30 EEEDLO CCCCc1nc(C[NH2+]CC2(CCNC(=O)C#CC3CC3)CC2)no1 ZINC001164487579 1321393375 /nfs/dbraw/zinc/39/33/75/1321393375.db2.gz XYWPEKIVQNZFGO-UHFFFAOYSA-N 1 2 344.459 2.202 20 30 EEEDLO N#Cc1cccnc1N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001165739016 1321575905 /nfs/dbraw/zinc/57/59/05/1321575905.db2.gz QEMOZHKKNMGGKF-OAHLLOKOSA-N 1 2 346.394 2.260 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)CCc1cnccn1 ZINC001263301800 1322456114 /nfs/dbraw/zinc/45/61/14/1322456114.db2.gz YLKZJLFDORNFKY-MRXNPFEDSA-N 1 2 341.463 2.090 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)CCc1cnccn1 ZINC001263301800 1322456125 /nfs/dbraw/zinc/45/61/25/1322456125.db2.gz YLKZJLFDORNFKY-MRXNPFEDSA-N 1 2 341.463 2.090 20 30 EEEDLO C=CCN(C)c1nnc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC(C)C ZINC001263395472 1322475600 /nfs/dbraw/zinc/47/56/00/1322475600.db2.gz YLBYJKRXVUVESG-HZPDHXFCSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCN(C)c1nnc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC(C)C ZINC001263395472 1322475603 /nfs/dbraw/zinc/47/56/03/1322475603.db2.gz YLBYJKRXVUVESG-HZPDHXFCSA-N 1 2 333.480 2.482 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CCCC)C2)c1 ZINC001206040171 1323377906 /nfs/dbraw/zinc/37/79/06/1323377906.db2.gz IUBLBMRYRTYOGV-CRAIPNDOSA-N 1 2 341.455 2.233 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)CCCC)C2)c1 ZINC001206040171 1323377922 /nfs/dbraw/zinc/37/79/22/1323377922.db2.gz IUBLBMRYRTYOGV-CRAIPNDOSA-N 1 2 341.455 2.233 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001206429052 1323490796 /nfs/dbraw/zinc/49/07/96/1323490796.db2.gz NYFKPPXNRSALNK-SOLBZPMBSA-N 1 2 348.491 2.382 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001206429052 1323490799 /nfs/dbraw/zinc/49/07/99/1323490799.db2.gz NYFKPPXNRSALNK-SOLBZPMBSA-N 1 2 348.491 2.382 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(OC)no2)C[C@H]1C ZINC001207146274 1323877851 /nfs/dbraw/zinc/87/78/51/1323877851.db2.gz WCTKUEUVWHFUON-ZWNOBZJWSA-N 1 2 341.839 2.398 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)no2)C[C@H]1C ZINC001207146274 1323877856 /nfs/dbraw/zinc/87/78/56/1323877856.db2.gz WCTKUEUVWHFUON-ZWNOBZJWSA-N 1 2 341.839 2.398 20 30 EEEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1CCc1cccc(OC)c1 ZINC001207427359 1323967963 /nfs/dbraw/zinc/96/79/63/1323967963.db2.gz WPKBWMCLBUBYCF-SFHVURJKSA-N 1 2 342.443 2.168 20 30 EEEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1CCc1cccc(OC)c1 ZINC001207427359 1323967967 /nfs/dbraw/zinc/96/79/67/1323967967.db2.gz WPKBWMCLBUBYCF-SFHVURJKSA-N 1 2 342.443 2.168 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)N1CCC(C)CC1 ZINC001316600807 1324069293 /nfs/dbraw/zinc/06/92/93/1324069293.db2.gz MENJIBVJXJPJHJ-IAGOWNOFSA-N 1 2 349.519 2.378 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)N1CCC(C)CC1 ZINC001316600807 1324069301 /nfs/dbraw/zinc/06/93/01/1324069301.db2.gz MENJIBVJXJPJHJ-IAGOWNOFSA-N 1 2 349.519 2.378 20 30 EEEDLO C=CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N1CCC[C@@H](C)C1 ZINC001316602480 1324138991 /nfs/dbraw/zinc/13/89/91/1324138991.db2.gz AJUWLAGBLTUGGC-SJORKVTESA-N 1 2 335.492 2.134 20 30 EEEDLO C=CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N1CCC[C@@H](C)C1 ZINC001316602480 1324138995 /nfs/dbraw/zinc/13/89/95/1324138995.db2.gz AJUWLAGBLTUGGC-SJORKVTESA-N 1 2 335.492 2.134 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)COc1cccnc1 ZINC001316604609 1324314244 /nfs/dbraw/zinc/31/42/44/1324314244.db2.gz TYPZITNJXOZPNM-IBGZPJMESA-N 1 2 349.434 2.045 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)COc1cccnc1 ZINC001316604609 1324314250 /nfs/dbraw/zinc/31/42/50/1324314250.db2.gz TYPZITNJXOZPNM-IBGZPJMESA-N 1 2 349.434 2.045 20 30 EEEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001323093363 1333383544 /nfs/dbraw/zinc/38/35/44/1333383544.db2.gz HHJUVCUYLZEKHM-UHFFFAOYSA-N 1 2 347.415 2.469 20 30 EEEDLO C#CCOCC[N@H+](C)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001323093363 1333383546 /nfs/dbraw/zinc/38/35/46/1333383546.db2.gz HHJUVCUYLZEKHM-UHFFFAOYSA-N 1 2 347.415 2.469 20 30 EEEDLO C#CC[N@H+](CC1CC1)CN1C(=O)C[C@](C)(c2ccc(F)cc2)C1=O ZINC001325950994 1334004880 /nfs/dbraw/zinc/00/48/80/1334004880.db2.gz HAWJONZIZTYMMM-LJQANCHMSA-N 1 2 328.387 2.145 20 30 EEEDLO C#CC[N@@H+](CC1CC1)CN1C(=O)C[C@](C)(c2ccc(F)cc2)C1=O ZINC001325950994 1334004886 /nfs/dbraw/zinc/00/48/86/1334004886.db2.gz HAWJONZIZTYMMM-LJQANCHMSA-N 1 2 328.387 2.145 20 30 EEEDLO C=CC(C)(C)Cc1nnc(N2CC[NH+](Cc3ccccn3)CC2)n1C ZINC001338796911 1336909567 /nfs/dbraw/zinc/90/95/67/1336909567.db2.gz ICOOHLSBDPTZEX-UHFFFAOYSA-N 1 2 340.475 2.287 20 30 EEEDLO CCn1c(Cc2[nH+]ccn2C)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001339391848 1336997640 /nfs/dbraw/zinc/99/76/40/1336997640.db2.gz QZDOHBMXBPRLLQ-UHFFFAOYSA-N 1 2 335.415 2.130 20 30 EEEDLO C=C(C)CCC(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC001200628678 1338480230 /nfs/dbraw/zinc/48/02/30/1338480230.db2.gz YRXSFHDWAXCAOK-ZFWWWQNUSA-N 1 2 336.436 2.002 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)ccn12 ZINC000848780014 1338761449 /nfs/dbraw/zinc/76/14/49/1338761449.db2.gz FMVAJLNQUMBWOZ-ACJLOTCBSA-N 1 2 342.399 2.243 20 30 EEEDLO C=CC[C@@H]1CCCN(c2nnc(C[NH+]3CCC(CO)CC3)n2CC)C1 ZINC001356512676 1338828048 /nfs/dbraw/zinc/82/80/48/1338828048.db2.gz UCHYQUOXSVUHRL-MRXNPFEDSA-N 1 2 347.507 2.295 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)Cc2cccc(OCC)n2)C1 ZINC001506638848 1342299304 /nfs/dbraw/zinc/29/93/04/1342299304.db2.gz GMKOHWLNUHYTLG-CYBMUJFWSA-N 1 2 337.851 2.212 20 30 EEEDLO Cc1cc(C)c(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c[nH+]1 ZINC001626488832 1352464557 /nfs/dbraw/zinc/46/45/57/1352464557.db2.gz AMZATKFFIDVFHJ-UHFFFAOYSA-N 1 2 346.394 2.268 20 30 EEEDLO N#CC1(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CCOCC1 ZINC001646624662 1352889845 /nfs/dbraw/zinc/88/98/45/1352889845.db2.gz MXIRQCALPUOZCY-MRXNPFEDSA-N 1 2 338.411 2.368 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nc(-c2ccccc2)c[nH]1 ZINC001647162231 1353170871 /nfs/dbraw/zinc/17/08/71/1353170871.db2.gz DGERHMCGXYVZIF-UHFFFAOYSA-N 1 2 339.443 2.125 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC001660987986 1354569326 /nfs/dbraw/zinc/56/93/26/1354569326.db2.gz DUBHVAKHRKXRIH-UONOGXRCSA-N 1 2 336.382 2.256 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC001660987986 1354569330 /nfs/dbraw/zinc/56/93/30/1354569330.db2.gz DUBHVAKHRKXRIH-UONOGXRCSA-N 1 2 336.382 2.256 20 30 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C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(C)c(NC(C)=O)c2)C1 ZINC001031694202 773259440 /nfs/dbraw/zinc/25/94/40/773259440.db2.gz JSJRMEUFWZCYRF-UHFFFAOYSA-N 1 2 335.835 2.368 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)o1 ZINC001027835537 773275109 /nfs/dbraw/zinc/27/51/09/773275109.db2.gz DYMVSUIDLUANRS-DOMZBBRYSA-N 1 2 327.388 2.138 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+]2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)o1 ZINC001027835537 773275114 /nfs/dbraw/zinc/27/51/14/773275114.db2.gz DYMVSUIDLUANRS-DOMZBBRYSA-N 1 2 327.388 2.138 20 30 EEEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)cc(C)n1 ZINC001031699414 773406853 /nfs/dbraw/zinc/40/68/53/773406853.db2.gz UPSMTLNXAICTMX-UHFFFAOYSA-N 1 2 340.452 2.493 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)c3ccns3)C2)c1 ZINC001031706851 773503909 /nfs/dbraw/zinc/50/39/09/773503909.db2.gz HSHNRRXXVWKFFF-UHFFFAOYSA-N 1 2 330.388 2.016 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001060753111 773764862 /nfs/dbraw/zinc/76/48/62/773764862.db2.gz AWEOAQNYZLREQH-KLHDSHLOSA-N 1 2 344.459 2.271 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001060753111 773764868 /nfs/dbraw/zinc/76/48/68/773764868.db2.gz AWEOAQNYZLREQH-KLHDSHLOSA-N 1 2 344.459 2.271 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001027873989 773827276 /nfs/dbraw/zinc/82/72/76/773827276.db2.gz KAGMNVHGVRBEEE-GJZGRUSLSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001027873989 773827281 /nfs/dbraw/zinc/82/72/81/773827281.db2.gz KAGMNVHGVRBEEE-GJZGRUSLSA-N 1 2 337.345 2.433 20 30 EEEDLO CCc1cccc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)n1 ZINC001031736749 774120422 /nfs/dbraw/zinc/12/04/22/774120422.db2.gz QQPJXKRURAENBV-UHFFFAOYSA-N 1 2 333.435 2.357 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@H](NC(=O)CCC)CC[C@H]2C)c1 ZINC001131746206 783163986 /nfs/dbraw/zinc/16/39/86/783163986.db2.gz AWLVJCSCPOUQDI-CRAIPNDOSA-N 1 2 341.455 2.376 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@H](NC(=O)CCC)CC[C@H]2C)c1 ZINC001131746206 783163988 /nfs/dbraw/zinc/16/39/88/783163988.db2.gz AWLVJCSCPOUQDI-CRAIPNDOSA-N 1 2 341.455 2.376 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)c2ccns2)s1 ZINC001027914090 774348137 /nfs/dbraw/zinc/34/81/37/774348137.db2.gz NGWDUTUBEQVDRL-LLVKDONJSA-N 1 2 332.454 2.471 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2ccns2)s1 ZINC001027914090 774348146 /nfs/dbraw/zinc/34/81/46/774348146.db2.gz NGWDUTUBEQVDRL-LLVKDONJSA-N 1 2 332.454 2.471 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccnc3)CC2)c(F)c1 ZINC000980627590 775011021 /nfs/dbraw/zinc/01/10/21/775011021.db2.gz HXTODURMDBJLQL-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccnc3)CC2)c(F)c1 ZINC000980627590 775011030 /nfs/dbraw/zinc/01/10/30/775011030.db2.gz HXTODURMDBJLQL-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC3(F)F)C2)cc1F ZINC001031760637 775076394 /nfs/dbraw/zinc/07/63/94/775076394.db2.gz KWNUDNIQMVCWCJ-AWEZNQCLSA-N 1 2 337.345 2.291 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001089792536 775608670 /nfs/dbraw/zinc/60/86/70/775608670.db2.gz ZIYFVHDQUMRXDL-GDBMZVCRSA-N 1 2 332.448 2.193 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cccn3nccc23)C1 ZINC001031814229 776269704 /nfs/dbraw/zinc/26/97/04/776269704.db2.gz TVCCUFNPIYANQQ-UHFFFAOYSA-N 1 2 345.406 2.068 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc2cc(C)nn2c1C ZINC001028060226 776910817 /nfs/dbraw/zinc/91/08/17/776910817.db2.gz RRKXBRPYJFKZHZ-CQSZACIVSA-N 1 2 347.850 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2cc(C)nn2c1C ZINC001028060226 776910825 /nfs/dbraw/zinc/91/08/25/776910825.db2.gz RRKXBRPYJFKZHZ-CQSZACIVSA-N 1 2 347.850 2.293 20 30 EEEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@]34C[C@H]3CCC4)C2)ccc1F ZINC001031858746 777627560 /nfs/dbraw/zinc/62/75/60/777627560.db2.gz CMYMZYFJLFWDON-VQIMIIECSA-N 1 2 327.403 2.436 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1)C(C)C ZINC000981877326 778465053 /nfs/dbraw/zinc/46/50/53/778465053.db2.gz BNBAWTMGFVSVBW-MRXNPFEDSA-N 1 2 335.473 2.325 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1)C(C)C ZINC000981877326 778465059 /nfs/dbraw/zinc/46/50/59/778465059.db2.gz BNBAWTMGFVSVBW-MRXNPFEDSA-N 1 2 335.473 2.325 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[N@@H+](Cc3ccnc(OC)n3)CC2)CC1 ZINC000981885147 778481689 /nfs/dbraw/zinc/48/16/89/778481689.db2.gz MTHMZLXSRDGPQD-UHFFFAOYSA-N 1 2 344.459 2.266 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[N@H+](Cc3ccnc(OC)n3)CC2)CC1 ZINC000981885147 778481692 /nfs/dbraw/zinc/48/16/92/778481692.db2.gz MTHMZLXSRDGPQD-UHFFFAOYSA-N 1 2 344.459 2.266 20 30 EEEDLO C[C@H](C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000981912745 778515219 /nfs/dbraw/zinc/51/52/19/778515219.db2.gz PPLDVJFXFNHXNQ-ICSRJNTNSA-N 1 2 340.467 2.388 20 30 EEEDLO C[C@H](C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000981912745 778515226 /nfs/dbraw/zinc/51/52/26/778515226.db2.gz PPLDVJFXFNHXNQ-ICSRJNTNSA-N 1 2 340.467 2.388 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[N@@H+](CC(=O)N3CCC(C)CC3)CC2)C1 ZINC000981917924 778529144 /nfs/dbraw/zinc/52/91/44/778529144.db2.gz JNBWERKVXZPUTI-UHFFFAOYSA-N 1 2 347.503 2.136 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[N@H+](CC(=O)N3CCC(C)CC3)CC2)C1 ZINC000981917924 778529152 /nfs/dbraw/zinc/52/91/52/778529152.db2.gz JNBWERKVXZPUTI-UHFFFAOYSA-N 1 2 347.503 2.136 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cocn4)[C@@H]3C2)c(F)c1 ZINC001075613499 779072734 /nfs/dbraw/zinc/07/27/34/779072734.db2.gz FPMCZQRYAZXSTG-WMLDXEAASA-N 1 2 340.358 2.032 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cocn4)[C@@H]3C2)c(F)c1 ZINC001075613499 779072743 /nfs/dbraw/zinc/07/27/43/779072743.db2.gz FPMCZQRYAZXSTG-WMLDXEAASA-N 1 2 340.358 2.032 20 30 EEEDLO Cc1noc([C@@H](C)[N@@H+]2C[C@@]3(C)CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)n1 ZINC000982278460 779501570 /nfs/dbraw/zinc/50/15/70/779501570.db2.gz DPDRKWKTQHIMCS-ZNOIYHFQSA-N 1 2 342.443 2.023 20 30 EEEDLO Cc1noc([C@@H](C)[N@H+]2C[C@@]3(C)CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)n1 ZINC000982278460 779501573 /nfs/dbraw/zinc/50/15/73/779501573.db2.gz DPDRKWKTQHIMCS-ZNOIYHFQSA-N 1 2 342.443 2.023 20 30 EEEDLO Cc1ncccc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031938865 780270544 /nfs/dbraw/zinc/27/05/44/780270544.db2.gz MVABCTLWGUAAJL-UHFFFAOYSA-N 1 2 338.386 2.263 20 30 EEEDLO CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001211766232 780878538 /nfs/dbraw/zinc/87/85/38/780878538.db2.gz WHZXFVUINGJMQS-IAGOWNOFSA-N 1 2 334.847 2.307 20 30 EEEDLO CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001211766232 780878546 /nfs/dbraw/zinc/87/85/46/780878546.db2.gz WHZXFVUINGJMQS-IAGOWNOFSA-N 1 2 334.847 2.307 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C=C3CCCCC3)[C@@H](O)C2)s1 ZINC001083357501 780992875 /nfs/dbraw/zinc/99/28/75/780992875.db2.gz RDZXQDSYVZEQRV-SJORKVTESA-N 1 2 345.468 2.172 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C=C3CCCCC3)[C@@H](O)C2)s1 ZINC001083357501 780992879 /nfs/dbraw/zinc/99/28/79/780992879.db2.gz RDZXQDSYVZEQRV-SJORKVTESA-N 1 2 345.468 2.172 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCO2)[C@H]1CC ZINC001087494711 781452543 /nfs/dbraw/zinc/45/25/43/781452543.db2.gz DRQXPCDKLDFDBL-XQQFMLRXSA-N 1 2 331.254 2.043 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCO2)[C@H]1CC ZINC001087494711 781452551 /nfs/dbraw/zinc/45/25/51/781452551.db2.gz DRQXPCDKLDFDBL-XQQFMLRXSA-N 1 2 331.254 2.043 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001075776351 781476594 /nfs/dbraw/zinc/47/65/94/781476594.db2.gz JKCCPCYNSFAABO-QFBILLFUSA-N 1 2 337.398 2.143 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001075776351 781476599 /nfs/dbraw/zinc/47/65/99/781476599.db2.gz JKCCPCYNSFAABO-QFBILLFUSA-N 1 2 337.398 2.143 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(F)ccc2F)C1 ZINC001031987421 781569518 /nfs/dbraw/zinc/56/95/18/781569518.db2.gz NBQNTGZHFQAKFG-WBVHZDCISA-N 1 2 336.382 2.104 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cocn2)[C@H]1CC ZINC001087519045 781645733 /nfs/dbraw/zinc/64/57/33/781645733.db2.gz WLDOVBWBVYYIND-CMPLNLGQSA-N 1 2 328.210 2.166 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cocn2)[C@H]1CC ZINC001087519045 781645739 /nfs/dbraw/zinc/64/57/39/781645739.db2.gz WLDOVBWBVYYIND-CMPLNLGQSA-N 1 2 328.210 2.166 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](Nc3cc[nH+]c(C)n3)CC2)nc1 ZINC001063377206 790901280 /nfs/dbraw/zinc/90/12/80/790901280.db2.gz VFMUQZRIFOCAFM-WKILWMFISA-N 1 2 335.411 2.314 20 30 EEEDLO C=CCOc1ccccc1C(=O)NC1C[NH+](C[C@H]2CC[C@H](C)O2)C1 ZINC001030541995 790902980 /nfs/dbraw/zinc/90/29/80/790902980.db2.gz IQRYNHXAKPAADK-GOEBONIOSA-N 1 2 330.428 2.233 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2cnns2)C[C@@H]1C ZINC000942130656 781790485 /nfs/dbraw/zinc/79/04/85/781790485.db2.gz OHBWLLUPYMASIG-ZFWWWQNUSA-N 1 2 345.472 2.166 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2cnns2)C[C@@H]1C ZINC000942130656 781790493 /nfs/dbraw/zinc/79/04/93/781790493.db2.gz OHBWLLUPYMASIG-ZFWWWQNUSA-N 1 2 345.472 2.166 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)CSCC#N)C[N@@H+]1Cc1cc(C2CC2)no1 ZINC001131830140 783325620 /nfs/dbraw/zinc/32/56/20/783325620.db2.gz ORNBQDKOGITOHD-TZMCWYRMSA-N 1 2 348.472 2.278 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)CSCC#N)C[N@H+]1Cc1cc(C2CC2)no1 ZINC001131830140 783325629 /nfs/dbraw/zinc/32/56/29/783325629.db2.gz ORNBQDKOGITOHD-TZMCWYRMSA-N 1 2 348.472 2.278 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cc4n(n3)CCC4)C2)cc1 ZINC001033321730 783556117 /nfs/dbraw/zinc/55/61/17/783556117.db2.gz ILRWLCJDNSSHIT-HXUWFJFHSA-N 1 2 348.450 2.157 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cc4n(n3)CCC4)C2)cc1 ZINC001033321730 783556127 /nfs/dbraw/zinc/55/61/27/783556127.db2.gz ILRWLCJDNSSHIT-HXUWFJFHSA-N 1 2 348.450 2.157 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C)C1 ZINC000945375865 783986153 /nfs/dbraw/zinc/98/61/53/783986153.db2.gz QMTFDWNGZGGYOU-GDBMZVCRSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C)C1 ZINC000945375865 783986161 /nfs/dbraw/zinc/98/61/61/783986161.db2.gz QMTFDWNGZGGYOU-GDBMZVCRSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2occc2Br)C1 ZINC001035551648 784721987 /nfs/dbraw/zinc/72/19/87/784721987.db2.gz YZWXLPMQQRTAQN-NSHDSACASA-N 1 2 343.221 2.049 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2occc2Br)C1 ZINC001035551648 784721993 /nfs/dbraw/zinc/72/19/93/784721993.db2.gz YZWXLPMQQRTAQN-NSHDSACASA-N 1 2 343.221 2.049 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2NC(=O)CC)C1 ZINC001035554920 784725054 /nfs/dbraw/zinc/72/50/54/784725054.db2.gz HRMDFTVASHPIIU-HNNXBMFYSA-N 1 2 345.443 2.042 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2NC(=O)CC)C1 ZINC001035554920 784725062 /nfs/dbraw/zinc/72/50/62/784725062.db2.gz HRMDFTVASHPIIU-HNNXBMFYSA-N 1 2 345.443 2.042 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907815112 784882168 /nfs/dbraw/zinc/88/21/68/784882168.db2.gz IVSOZVLCHUXXMB-DZGCQCFKSA-N 1 2 329.444 2.469 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907815112 784882180 /nfs/dbraw/zinc/88/21/80/784882180.db2.gz IVSOZVLCHUXXMB-DZGCQCFKSA-N 1 2 329.444 2.469 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)c2c[nH]nc2C)CC1 ZINC001005799125 784997300 /nfs/dbraw/zinc/99/73/00/784997300.db2.gz LIQSLGDFJWNZJY-UHFFFAOYSA-N 1 2 341.253 2.163 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc3nc[nH]c3n1)CC2 ZINC001035727617 785028737 /nfs/dbraw/zinc/02/87/37/785028737.db2.gz CKHQIMXVBJHZCK-UHFFFAOYSA-N 1 2 345.834 2.248 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3ccccc3n2C)[C@@H](O)C1 ZINC001090528243 785270426 /nfs/dbraw/zinc/27/04/26/785270426.db2.gz IAJQIGBBRMBRMQ-PBHICJAKSA-N 1 2 347.846 2.096 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3n2C)[C@@H](O)C1 ZINC001090528243 785270434 /nfs/dbraw/zinc/27/04/34/785270434.db2.gz IAJQIGBBRMBRMQ-PBHICJAKSA-N 1 2 347.846 2.096 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc(CC)n(C)n1)CC2 ZINC001035862522 785311213 /nfs/dbraw/zinc/31/12/13/785311213.db2.gz IAXZNNRUQZDZDQ-UHFFFAOYSA-N 1 2 336.867 2.273 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH]ncc32)CC1(C)C ZINC000995794957 785683137 /nfs/dbraw/zinc/68/31/37/785683137.db2.gz GLOBSWBCRZRLFI-IUODEOHRSA-N 1 2 336.867 2.409 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C(C)=C3CCCC3)nn2)C1 ZINC001107157407 786152607 /nfs/dbraw/zinc/15/26/07/786152607.db2.gz PTQAEHGYTWUTCD-UHFFFAOYSA-N 1 2 329.448 2.218 20 30 EEEDLO CN(CCCNc1ccc(C#N)cn1)C(=O)c1cccc2[nH+]ccn21 ZINC001109564999 805687614 /nfs/dbraw/zinc/68/76/14/805687614.db2.gz UINPDDNXWFOESZ-UHFFFAOYSA-N 1 2 334.383 2.175 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)CC3CCCC3)nn2)C1 ZINC001107217347 786468981 /nfs/dbraw/zinc/46/89/81/786468981.db2.gz HLENVENAPDBMOS-CQSZACIVSA-N 1 2 331.464 2.153 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3(C)CCC(C)CC3)nn2)C1 ZINC001107241221 786595646 /nfs/dbraw/zinc/59/56/46/786595646.db2.gz OYWLVVVASHMNDJ-UHFFFAOYSA-N 1 2 331.464 2.153 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCCO[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001090580971 787049463 /nfs/dbraw/zinc/04/94/63/787049463.db2.gz QHRUGNPLNBFGRE-HZPDHXFCSA-N 1 2 332.448 2.417 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(OC)n1 ZINC001109631816 805799135 /nfs/dbraw/zinc/79/91/35/805799135.db2.gz OSTGXZUMZONGMO-ORQFMDKSSA-N 1 2 344.459 2.309 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(OC)n1 ZINC001109631816 805799139 /nfs/dbraw/zinc/79/91/39/805799139.db2.gz OSTGXZUMZONGMO-ORQFMDKSSA-N 1 2 344.459 2.309 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001060769770 787661821 /nfs/dbraw/zinc/66/18/21/787661821.db2.gz YPFRBDVGQQVGRF-SHTZXODSSA-N 1 2 332.448 2.018 20 30 EEEDLO C[C@@H](CC(=O)N(C)CCCNc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001109637300 805813311 /nfs/dbraw/zinc/81/33/11/805813311.db2.gz NYSRZZIKALCOSH-AWEZNQCLSA-N 1 2 326.404 2.061 20 30 EEEDLO Cc1nsc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 ZINC001032337666 787912240 /nfs/dbraw/zinc/91/22/40/787912240.db2.gz FEZVQEXBFRWFPW-KBPBESRZSA-N 1 2 341.440 2.059 20 30 EEEDLO Cc1nsc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 ZINC001032337666 787912247 /nfs/dbraw/zinc/91/22/47/787912247.db2.gz FEZVQEXBFRWFPW-KBPBESRZSA-N 1 2 341.440 2.059 20 30 EEEDLO C[C@]1(CNC(=O)C2CCC2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107677968 788032705 /nfs/dbraw/zinc/03/27/05/788032705.db2.gz PLWOHKZPYKGWAK-IBGZPJMESA-N 1 2 327.428 2.065 20 30 EEEDLO C[C@]1(CNC(=O)C2CCC2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107677968 788032712 /nfs/dbraw/zinc/03/27/12/788032712.db2.gz PLWOHKZPYKGWAK-IBGZPJMESA-N 1 2 327.428 2.065 20 30 EEEDLO C[C@@]1(CNC(=O)c2ccoc2)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107735692 788190694 /nfs/dbraw/zinc/19/06/94/788190694.db2.gz GCTWCTNKVXJWFG-LJQANCHMSA-N 1 2 339.395 2.172 20 30 EEEDLO C[C@@]1(CNC(=O)c2ccoc2)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107735692 788190702 /nfs/dbraw/zinc/19/07/02/788190702.db2.gz GCTWCTNKVXJWFG-LJQANCHMSA-N 1 2 339.395 2.172 20 30 EEEDLO CC[C@@H](C)C(=O)NC[C@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107752253 788235954 /nfs/dbraw/zinc/23/59/54/788235954.db2.gz QYZYVLQNGVMMSY-DNVCBOLYSA-N 1 2 329.444 2.311 20 30 EEEDLO CC[C@@H](C)C(=O)NC[C@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107752253 788235963 /nfs/dbraw/zinc/23/59/63/788235963.db2.gz QYZYVLQNGVMMSY-DNVCBOLYSA-N 1 2 329.444 2.311 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](O)C1 ZINC001090782850 788237213 /nfs/dbraw/zinc/23/72/13/788237213.db2.gz IQUHNQWJBVGYSS-NXEZZACHSA-N 1 2 335.256 2.319 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](O)C1 ZINC001090782850 788237217 /nfs/dbraw/zinc/23/72/17/788237217.db2.gz IQUHNQWJBVGYSS-NXEZZACHSA-N 1 2 335.256 2.319 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC(C)C)CC1 ZINC001109681647 805870106 /nfs/dbraw/zinc/87/01/06/805870106.db2.gz BZVYEWRLRFZPHS-IKGGRYGDSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC(C)C)CC1 ZINC001109681647 805870116 /nfs/dbraw/zinc/87/01/16/805870116.db2.gz BZVYEWRLRFZPHS-IKGGRYGDSA-N 1 2 347.503 2.227 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)CCC)C1 ZINC001109696634 805878738 /nfs/dbraw/zinc/87/87/38/805878738.db2.gz IGWNBFLYGQNIHK-YVSFHVDLSA-N 1 2 347.503 2.369 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)CCC)C1 ZINC001109696634 805878748 /nfs/dbraw/zinc/87/87/48/805878748.db2.gz IGWNBFLYGQNIHK-YVSFHVDLSA-N 1 2 347.503 2.369 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107804260 788511370 /nfs/dbraw/zinc/51/13/70/788511370.db2.gz GZIFMZLLUCXCGK-OLZOCXBDSA-N 1 2 332.448 2.172 20 30 EEEDLO C=CCOCC(=O)N(C)C[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001115650669 788657521 /nfs/dbraw/zinc/65/75/21/788657521.db2.gz DQDRSFJLIDLZJV-ZDUSSCGKSA-N 1 2 332.448 2.125 20 30 EEEDLO CC1(C)C[C@@H]1C(=O)NC[C@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107874969 788985916 /nfs/dbraw/zinc/98/59/16/788985916.db2.gz STNUJCIHSHMFTO-YLJYHZDGSA-N 1 2 341.455 2.311 20 30 EEEDLO CC1(C)C[C@@H]1C(=O)NC[C@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107874969 788985924 /nfs/dbraw/zinc/98/59/24/788985924.db2.gz STNUJCIHSHMFTO-YLJYHZDGSA-N 1 2 341.455 2.311 20 30 EEEDLO C=CCOCC(=O)N1C[C@@H](C)[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001090956275 789158628 /nfs/dbraw/zinc/15/86/28/789158628.db2.gz RVMBVAQNCMLNLP-CXAGYDPISA-N 1 2 344.459 2.125 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001108177973 789343552 /nfs/dbraw/zinc/34/35/52/789343552.db2.gz CPWSXUKWYROLDL-SFHVURJKSA-N 1 2 334.847 2.492 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001108177973 789343558 /nfs/dbraw/zinc/34/35/58/789343558.db2.gz CPWSXUKWYROLDL-SFHVURJKSA-N 1 2 334.847 2.492 20 30 EEEDLO C=C(C(=O)N1CC[NH+](CCOc2ccccc2)CC1)C(F)(F)F ZINC001144207235 789366038 /nfs/dbraw/zinc/36/60/38/789366038.db2.gz AQXOKIILCXBHIE-UHFFFAOYSA-N 1 2 328.334 2.328 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc(F)c2C)[C@@H](O)C1 ZINC001090278071 789404953 /nfs/dbraw/zinc/40/49/53/789404953.db2.gz APPUWKZUPJKPFC-CABCVRRESA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(F)c2C)[C@@H](O)C1 ZINC001090278071 789404958 /nfs/dbraw/zinc/40/49/58/789404958.db2.gz APPUWKZUPJKPFC-CABCVRRESA-N 1 2 326.799 2.052 20 30 EEEDLO CCCCCCCCNC(=S)NC[C@H]([NH3+])C(=O)OC(C)(C)C ZINC001239398990 789511408 /nfs/dbraw/zinc/51/14/08/789511408.db2.gz OYASNSVJIJQASQ-ZDUSSCGKSA-N 1 2 331.526 2.480 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC1(C2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001127134335 789697943 /nfs/dbraw/zinc/69/79/43/789697943.db2.gz OXKSSYZLBIAVMY-CQSZACIVSA-N 1 2 344.459 2.241 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)CC(=O)c2ccc(OC)cc2)C1 ZINC000923566859 789778208 /nfs/dbraw/zinc/77/82/08/789778208.db2.gz UBJNXDKGVIVUDT-RDJZCZTQSA-N 1 2 342.439 2.118 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)CC(=O)c2ccc(OC)cc2)C1 ZINC000923566859 789778214 /nfs/dbraw/zinc/77/82/14/789778214.db2.gz UBJNXDKGVIVUDT-RDJZCZTQSA-N 1 2 342.439 2.118 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](CCCc2ccsc2)C1 ZINC001030333074 790062122 /nfs/dbraw/zinc/06/21/22/790062122.db2.gz GKSUBLDVTBOKGX-SJORKVTESA-N 1 2 334.485 2.462 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](C[C@H](OC)c2ccccc2)C1 ZINC001030331936 790064018 /nfs/dbraw/zinc/06/40/18/790064018.db2.gz RSMPDZGLINEVOL-QYZOEREBSA-N 1 2 344.455 2.156 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060330511 790137213 /nfs/dbraw/zinc/13/72/13/790137213.db2.gz DYLZKTIITAXFQZ-HNAYVOBHSA-N 1 2 346.475 2.218 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC1(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001063060740 790168827 /nfs/dbraw/zinc/16/88/27/790168827.db2.gz HTTXMPPQNCEJNL-CQSZACIVSA-N 1 2 346.475 2.346 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC1(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001063060740 790168830 /nfs/dbraw/zinc/16/88/30/790168830.db2.gz HTTXMPPQNCEJNL-CQSZACIVSA-N 1 2 346.475 2.346 20 30 EEEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1C1CC1)C2 ZINC001109814112 806031700 /nfs/dbraw/zinc/03/17/00/806031700.db2.gz MLSTVPJYJHFFRX-ILXRZTDVSA-N 1 2 345.468 2.005 20 30 EEEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1scnc1C1CC1)C2 ZINC001109814112 806031713 /nfs/dbraw/zinc/03/17/13/806031713.db2.gz MLSTVPJYJHFFRX-ILXRZTDVSA-N 1 2 345.468 2.005 20 30 EEEDLO CC#CCCCC(=O)NC1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001063072592 790191362 /nfs/dbraw/zinc/19/13/62/790191362.db2.gz ZQQADBAUPVVCOV-MRXNPFEDSA-N 1 2 344.459 2.183 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106066277 791271529 /nfs/dbraw/zinc/27/15/29/791271529.db2.gz AUWHARNMQGHVTF-CABCVRRESA-N 1 2 334.464 2.400 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106066981 791280529 /nfs/dbraw/zinc/28/05/29/791280529.db2.gz NYTNNWUVEMOSQI-UKRRQHHQSA-N 1 2 334.464 2.400 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001106080344 791819615 /nfs/dbraw/zinc/81/96/15/791819615.db2.gz KRLGACDTVMSFDR-IFXJQAMLSA-N 1 2 346.475 2.155 20 30 EEEDLO Cc1nc(NC[C@H]2[C@@H](C)CCCN2C(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001063928800 791971902 /nfs/dbraw/zinc/97/19/02/791971902.db2.gz GBLVACULIUCITI-LRDDRELGSA-N 1 2 338.415 2.338 20 30 EEEDLO C=CCCCC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nc(COC)no1)C2 ZINC001148200009 792217011 /nfs/dbraw/zinc/21/70/11/792217011.db2.gz YKZSWASRBHEKIB-AWEZNQCLSA-N 1 2 348.447 2.168 20 30 EEEDLO C=CCCCC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nc(COC)no1)C2 ZINC001148200009 792217019 /nfs/dbraw/zinc/21/70/19/792217019.db2.gz YKZSWASRBHEKIB-AWEZNQCLSA-N 1 2 348.447 2.168 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3[nH]c(=O)oc32)[C@H]1C ZINC001089090173 792217157 /nfs/dbraw/zinc/21/71/57/792217157.db2.gz MZYAJRHJMITYGJ-PWSUYJOCSA-N 1 2 335.791 2.479 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH]c(=O)oc32)[C@H]1C ZINC001089090173 792217161 /nfs/dbraw/zinc/21/71/61/792217161.db2.gz MZYAJRHJMITYGJ-PWSUYJOCSA-N 1 2 335.791 2.479 20 30 EEEDLO Cc1nc(N2CC[C@H]3CN(C(=O)C#CC4CC4)CC[C@@H]32)c(C)c(C)[nH+]1 ZINC001064013191 792241902 /nfs/dbraw/zinc/24/19/02/792241902.db2.gz LGHPRRRCPMDZEE-ROUUACIJSA-N 1 2 338.455 2.242 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001064139405 792552028 /nfs/dbraw/zinc/55/20/28/792552028.db2.gz DUQLOFNTAPVYRO-LRDDRELGSA-N 1 2 341.390 2.360 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001064401763 793046317 /nfs/dbraw/zinc/04/63/17/793046317.db2.gz KCWZDOFDRKQLDZ-HBUWYVDXSA-N 1 2 344.459 2.271 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001064401763 793046325 /nfs/dbraw/zinc/04/63/25/793046325.db2.gz KCWZDOFDRKQLDZ-HBUWYVDXSA-N 1 2 344.459 2.271 20 30 EEEDLO CCn1ccnc1C[N@H+](C)C[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC001089175630 793094010 /nfs/dbraw/zinc/09/40/10/793094010.db2.gz YLBJLLNUYNIPCT-KRWDZBQOSA-N 1 2 328.460 2.129 20 30 EEEDLO CCn1ccnc1C[N@@H+](C)C[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC001089175630 793094018 /nfs/dbraw/zinc/09/40/18/793094018.db2.gz YLBJLLNUYNIPCT-KRWDZBQOSA-N 1 2 328.460 2.129 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3coc(C)n3)[C@H](C)C2)cn1 ZINC000947947701 793133234 /nfs/dbraw/zinc/13/32/34/793133234.db2.gz IUTWSKYBHQIHMG-CXAGYDPISA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3coc(C)n3)[C@H](C)C2)cn1 ZINC000947947701 793133241 /nfs/dbraw/zinc/13/32/41/793133241.db2.gz IUTWSKYBHQIHMG-CXAGYDPISA-N 1 2 338.411 2.142 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3ncnn3CCC)C[C@@]2(C)C1 ZINC001091916682 793402380 /nfs/dbraw/zinc/40/23/80/793402380.db2.gz LSQBUGQQFMAMMJ-BEFAXECRSA-N 1 2 345.491 2.181 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3ncnn3CCC)C[C@@]2(C)C1 ZINC001091916682 793402382 /nfs/dbraw/zinc/40/23/82/793402382.db2.gz LSQBUGQQFMAMMJ-BEFAXECRSA-N 1 2 345.491 2.181 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@@H]1C ZINC001092038844 793497301 /nfs/dbraw/zinc/49/73/01/793497301.db2.gz TVMHRLXGZMMQMR-NFAWXSAZSA-N 1 2 342.447 2.049 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1O ZINC001092172820 793636487 /nfs/dbraw/zinc/63/64/87/793636487.db2.gz HZVFKNIDNXAYDR-HOTGVXAUSA-N 1 2 346.475 2.321 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCC1CC(Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001092258267 793769208 /nfs/dbraw/zinc/76/92/08/793769208.db2.gz ZSMLFMYYFNDFNX-GRTSSRMGSA-N 1 2 346.479 2.155 20 30 EEEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)C(CCC)CCC)CC2 ZINC001128041491 793832445 /nfs/dbraw/zinc/83/24/45/793832445.db2.gz ZJNHWMBEVBHDHS-INIZCTEOSA-N 1 2 345.491 2.038 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccccc1CC)c1nccn12 ZINC001092390607 793887735 /nfs/dbraw/zinc/88/77/35/793887735.db2.gz CFOIYPYVKRFTAX-GOSISDBHSA-N 1 2 348.450 2.355 20 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C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2conc2C2CCCC2)C1 ZINC001107993920 795243013 /nfs/dbraw/zinc/24/30/13/795243013.db2.gz GLBIOPULRIBGDW-GOSISDBHSA-N 1 2 333.432 2.339 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001079825124 795252684 /nfs/dbraw/zinc/25/26/84/795252684.db2.gz QPTRJPCZOIGOSB-IAQYHMDHSA-N 1 2 345.834 2.274 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001079825124 795252687 /nfs/dbraw/zinc/25/26/87/795252687.db2.gz QPTRJPCZOIGOSB-IAQYHMDHSA-N 1 2 345.834 2.274 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)Oc1ccccc1F ZINC001032731163 795286269 /nfs/dbraw/zinc/28/62/69/795286269.db2.gz BJXDWQAMOAEQSO-YQQAZPJKSA-N 1 2 330.403 2.292 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)Oc1ccccc1F ZINC001032731163 795286274 /nfs/dbraw/zinc/28/62/74/795286274.db2.gz BJXDWQAMOAEQSO-YQQAZPJKSA-N 1 2 330.403 2.292 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](C)[C@H]3CCCO3)CC2)C1 ZINC001093571423 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/nfs/dbraw/zinc/70/11/92/798701192.db2.gz KMMWELHXHMYVNO-DLBZAZTESA-N 1 2 338.492 2.315 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@H+](CCOCC3CC3)[C@@H]2C1 ZINC001177026351 798703197 /nfs/dbraw/zinc/70/31/97/798703197.db2.gz YMSVUTMKIZBUMW-MSOLQXFVSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]2OCC[N@@H+](CCOCC3CC3)[C@@H]2C1 ZINC001177026351 798703201 /nfs/dbraw/zinc/70/32/01/798703201.db2.gz YMSVUTMKIZBUMW-MSOLQXFVSA-N 1 2 336.476 2.071 20 30 EEEDLO Cc1cc(N(C)[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001061179464 798763448 /nfs/dbraw/zinc/76/34/48/798763448.db2.gz RSBZNFMCBZRSLD-IUODEOHRSA-N 1 2 327.432 2.249 20 30 EEEDLO O=C(CC#Cc1ccccc1)N1CC[C@H]2OCC[N@@H+](CCCF)[C@@H]2C1 ZINC001177150422 798775703 /nfs/dbraw/zinc/77/57/03/798775703.db2.gz MOLUWGSCPJLQRD-RTBURBONSA-N 1 2 344.430 2.090 20 30 EEEDLO O=C(CC#Cc1ccccc1)N1CC[C@H]2OCC[N@H+](CCCF)[C@@H]2C1 ZINC001177150422 798775706 /nfs/dbraw/zinc/77/57/06/798775706.db2.gz MOLUWGSCPJLQRD-RTBURBONSA-N 1 2 344.430 2.090 20 30 EEEDLO C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)CCC2CC2)C1 ZINC001177520137 799000571 /nfs/dbraw/zinc/00/05/71/799000571.db2.gz FFKIVXSYHWRGJG-UHFFFAOYSA-N 1 2 340.467 2.275 20 30 EEEDLO N#Cc1cc(N)c(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)cc1C#N ZINC001177623264 799053332 /nfs/dbraw/zinc/05/33/32/799053332.db2.gz ZZTPSMMZYORBNY-QGZVFWFLSA-N 1 2 335.367 2.208 20 30 EEEDLO N#Cc1cc(N)c(NC(=O)[C@H]2CCC[N@H+]2Cc2ccco2)cc1C#N ZINC001177623264 799053340 /nfs/dbraw/zinc/05/33/40/799053340.db2.gz ZZTPSMMZYORBNY-QGZVFWFLSA-N 1 2 335.367 2.208 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)C=C(C)C)C2)CC1 ZINC001065683257 799340270 /nfs/dbraw/zinc/34/02/70/799340270.db2.gz XBJDLMIUZHZCBP-ROUUACIJSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CCC(=C)C)C2)CC1 ZINC001065703281 799348786 /nfs/dbraw/zinc/34/87/86/799348786.db2.gz BBVUXVRQBNHEBJ-QGZVFWFLSA-N 1 2 333.476 2.054 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C(C)(C)C(C)C)CC2)C1 ZINC001065695605 799374745 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ZINC001004489079 802195166 /nfs/dbraw/zinc/19/51/66/802195166.db2.gz LPGJIGZIWJMMIK-LMMKCTJWSA-N 1 2 331.460 2.172 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC001004489079 802195173 /nfs/dbraw/zinc/19/51/73/802195173.db2.gz LPGJIGZIWJMMIK-LMMKCTJWSA-N 1 2 331.460 2.172 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2(C3CC3)CCOCC2)CC1 ZINC001004501729 802254191 /nfs/dbraw/zinc/25/41/91/802254191.db2.gz ZUEXMCZKGMOUCG-SFHVURJKSA-N 1 2 345.487 2.420 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(C3CC3)CCOCC2)CC1 ZINC001004501729 802254194 /nfs/dbraw/zinc/25/41/94/802254194.db2.gz ZUEXMCZKGMOUCG-SFHVURJKSA-N 1 2 345.487 2.420 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001108076016 802273043 /nfs/dbraw/zinc/27/30/43/802273043.db2.gz HFRDTRPMKSCGDE-MJGOQNOKSA-N 1 2 332.419 2.249 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001108076016 802273047 /nfs/dbraw/zinc/27/30/47/802273047.db2.gz HFRDTRPMKSCGDE-MJGOQNOKSA-N 1 2 332.419 2.249 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001108248205 802354737 /nfs/dbraw/zinc/35/47/37/802354737.db2.gz FJFJXTCJYPMGRC-HXUWFJFHSA-N 1 2 341.455 2.070 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001108248205 802354746 /nfs/dbraw/zinc/35/47/46/802354746.db2.gz FJFJXTCJYPMGRC-HXUWFJFHSA-N 1 2 341.455 2.070 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC001033145442 802389191 /nfs/dbraw/zinc/38/91/91/802389191.db2.gz HUVBBYVAAKZDLO-AWEZNQCLSA-N 1 2 330.457 2.477 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001033145442 802389201 /nfs/dbraw/zinc/38/92/01/802389201.db2.gz HUVBBYVAAKZDLO-AWEZNQCLSA-N 1 2 330.457 2.477 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cnn(C(F)F)c2)CC1 ZINC001004588742 802407868 /nfs/dbraw/zinc/40/78/68/802407868.db2.gz BXHZIPRXMDEJES-AWEZNQCLSA-N 1 2 337.374 2.118 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cnn(C(F)F)c2)CC1 ZINC001004588742 802407873 /nfs/dbraw/zinc/40/78/73/802407873.db2.gz BXHZIPRXMDEJES-AWEZNQCLSA-N 1 2 337.374 2.118 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cccc3nccnc32)CC1 ZINC001004586069 802425913 /nfs/dbraw/zinc/42/59/13/802425913.db2.gz OQPDIBWEPCMRNP-GOSISDBHSA-N 1 2 349.438 2.470 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cccc3nccnc32)CC1 ZINC001004586069 802425916 /nfs/dbraw/zinc/42/59/16/802425916.db2.gz OQPDIBWEPCMRNP-GOSISDBHSA-N 1 2 349.438 2.470 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(C)o2)C1 ZINC001033147749 802473032 /nfs/dbraw/zinc/47/30/32/802473032.db2.gz YGIUDZJZDGNTMO-DZGCQCFKSA-N 1 2 343.431 2.273 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)c2nnc(C)o2)C1 ZINC001033147749 802473036 /nfs/dbraw/zinc/47/30/36/802473036.db2.gz YGIUDZJZDGNTMO-DZGCQCFKSA-N 1 2 343.431 2.273 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cnn3c2CCCC3)C1 ZINC001033162950 802701005 /nfs/dbraw/zinc/70/10/05/802701005.db2.gz GMMJHEZIOCHJKC-OAHLLOKOSA-N 1 2 336.867 2.047 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cnn3c2CCCC3)C1 ZINC001033162950 802701008 /nfs/dbraw/zinc/70/10/08/802701008.db2.gz GMMJHEZIOCHJKC-OAHLLOKOSA-N 1 2 336.867 2.047 20 30 EEEDLO Cc1cc(C)c(C(=O)N2CCC[C@@H](NC(=O)[C@@H](C)C#N)CC2)c(C)[nH+]1 ZINC001066478114 802709429 /nfs/dbraw/zinc/70/94/29/802709429.db2.gz HAKDRKYHRJESOZ-XJKSGUPXSA-N 1 2 342.443 2.277 20 30 EEEDLO CC[NH+]1CC(Oc2ccc(I)cc2C#N)C1 ZINC001229847275 802786220 /nfs/dbraw/zinc/78/62/20/802786220.db2.gz GYXAIGMFHKOXQW-UHFFFAOYSA-N 1 2 328.153 2.246 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001066502597 802806183 /nfs/dbraw/zinc/80/61/83/802806183.db2.gz WVIDBCQSTUPAFB-QFBILLFUSA-N 1 2 346.475 2.373 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)CC2)CCC1 ZINC001066507688 802824723 /nfs/dbraw/zinc/82/47/23/802824723.db2.gz YVYBGWFKNRWDJH-INIZCTEOSA-N 1 2 344.459 2.127 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001108284940 803168772 /nfs/dbraw/zinc/16/87/72/803168772.db2.gz GMUYTACSVAPZMK-KXBFYZLASA-N 1 2 332.419 2.160 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001108284940 803168777 /nfs/dbraw/zinc/16/87/77/803168777.db2.gz GMUYTACSVAPZMK-KXBFYZLASA-N 1 2 332.419 2.160 20 30 EEEDLO C=CCCC1(C(=O)N2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001066561139 803204967 /nfs/dbraw/zinc/20/49/67/803204967.db2.gz FVQVOMSMQDPXRJ-HNNXBMFYSA-N 1 2 344.459 2.196 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001108293610 803231334 /nfs/dbraw/zinc/23/13/34/803231334.db2.gz IBZLGIMIQSGSGC-RXVVDRJESA-N 1 2 340.467 2.337 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001108293610 803231340 /nfs/dbraw/zinc/23/13/40/803231340.db2.gz IBZLGIMIQSGSGC-RXVVDRJESA-N 1 2 340.467 2.337 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3cccnc3s2)C1 ZINC001108322336 803277531 /nfs/dbraw/zinc/27/75/31/803277531.db2.gz ZMQJEHRTBSSGHM-QGZVFWFLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3cccnc3s2)C1 ZINC001108322336 803277538 /nfs/dbraw/zinc/27/75/38/803277538.db2.gz ZMQJEHRTBSSGHM-QGZVFWFLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001108350570 803351349 /nfs/dbraw/zinc/35/13/49/803351349.db2.gz YLTDQEGPOJULFE-IBGZPJMESA-N 1 2 334.435 2.496 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001108350570 803351356 /nfs/dbraw/zinc/35/13/56/803351356.db2.gz YLTDQEGPOJULFE-IBGZPJMESA-N 1 2 334.435 2.496 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(F)c(F)c(F)c2F)C1 ZINC001108356892 803363045 /nfs/dbraw/zinc/36/30/45/803363045.db2.gz RETXIYCDEWKVPU-INIZCTEOSA-N 1 2 346.324 2.250 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(F)c(F)c(F)c2F)C1 ZINC001108356892 803363050 /nfs/dbraw/zinc/36/30/50/803363050.db2.gz RETXIYCDEWKVPU-INIZCTEOSA-N 1 2 346.324 2.250 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C[C@@H](C)CCCCC)CC2=O)C1 ZINC001108574983 804150784 /nfs/dbraw/zinc/15/07/84/804150784.db2.gz FALXWMSJXATNFH-JKSUJKDBSA-N 1 2 335.492 2.180 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C[C@@H](C)CCC=C(C)C)CC2=O)C1 ZINC001108575594 804151939 /nfs/dbraw/zinc/15/19/39/804151939.db2.gz DTTSAANHJULWQD-IRXDYDNUSA-N 1 2 347.503 2.346 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(F)ccc1F ZINC001109072830 804908708 /nfs/dbraw/zinc/90/87/08/804908708.db2.gz QFLLTXFDGKANTM-PVAVHDDUSA-N 1 2 336.382 2.389 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(F)ccc1F ZINC001109072830 804908713 /nfs/dbraw/zinc/90/87/13/804908713.db2.gz QFLLTXFDGKANTM-PVAVHDDUSA-N 1 2 336.382 2.389 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](C)CN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001109184962 805080508 /nfs/dbraw/zinc/08/05/08/805080508.db2.gz NAEKGEDUOMGNLR-HUUCEWRRSA-N 1 2 345.491 2.008 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](C)CN(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001109184962 805080514 /nfs/dbraw/zinc/08/05/14/805080514.db2.gz NAEKGEDUOMGNLR-HUUCEWRRSA-N 1 2 345.491 2.008 20 30 EEEDLO Cc1ccc(C#N)c(N(C)C[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)n1 ZINC001109313237 805302857 /nfs/dbraw/zinc/30/28/57/805302857.db2.gz YVSKPHUBKFZJHY-CYBMUJFWSA-N 1 2 348.410 2.393 20 30 EEEDLO CSC[C@H](C)C(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001112711283 807073879 /nfs/dbraw/zinc/07/38/79/807073879.db2.gz WCJHRFKYVFUEIE-HNNXBMFYSA-N 1 2 347.484 2.232 20 30 EEEDLO CCc1ccc([C@@H](O)C[NH+]2CCN(C(=O)C#CC(C)(C)C)CC2)cc1 ZINC001112836924 807381343 /nfs/dbraw/zinc/38/13/43/807381343.db2.gz MKWMIZFAMRVSLJ-IBGZPJMESA-N 1 2 342.483 2.476 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[NH+](C[C@H](O)c2cccc(OC)c2)CC1 ZINC001112898088 807559744 /nfs/dbraw/zinc/55/97/44/807559744.db2.gz IQRQOTQCFMKBAK-SFHVURJKSA-N 1 2 346.471 2.475 20 30 EEEDLO C[C@@H](Nc1ncc(C#N)cc1Cl)[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001112993126 807791562 /nfs/dbraw/zinc/79/15/62/807791562.db2.gz CXQDMBKWVWMXHO-WDEREUQCSA-N 1 2 346.822 2.268 20 30 EEEDLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@H](C)Nc1ncc(C#N)cc1F ZINC001113077630 808059149 /nfs/dbraw/zinc/05/91/49/808059149.db2.gz QIHJAWHVAYKXGK-OLZOCXBDSA-N 1 2 344.394 2.074 20 30 EEEDLO C[C@H](NC(=O)CCc1c[nH+]cn1C)[C@H](C)Nc1cccc(F)c1C#N ZINC001113116146 808164729 /nfs/dbraw/zinc/16/47/29/808164729.db2.gz DGWYQHCWGPFLRE-STQMWFEESA-N 1 2 343.406 2.369 20 30 EEEDLO C=CCC1(C(=O)N[C@H](C)[C@H](C)Nc2cc[nH+]c(C)n2)CCOCC1 ZINC001113116393 808165797 /nfs/dbraw/zinc/16/57/97/808165797.db2.gz HSDKSWXEANHQAL-UONOGXRCSA-N 1 2 332.448 2.463 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001113253423 808573329 /nfs/dbraw/zinc/57/33/29/808573329.db2.gz KLVVVOKXBIELDN-KBPBESRZSA-N 1 2 345.491 2.372 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001113253423 808573333 /nfs/dbraw/zinc/57/33/33/808573333.db2.gz KLVVVOKXBIELDN-KBPBESRZSA-N 1 2 345.491 2.372 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(C)C1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC001113385600 808854145 /nfs/dbraw/zinc/85/41/45/808854145.db2.gz WHRGUYCKMPSWNP-JTTJXQCZSA-N 1 2 332.448 2.294 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(C#N)nn2)c(C)[nH+]1 ZINC001113381585 808865527 /nfs/dbraw/zinc/86/55/27/808865527.db2.gz BZIRBKFLNNZDKA-OLZOCXBDSA-N 1 2 338.415 2.287 20 30 EEEDLO C#CCOc1ccc(C(=O)N2CC[NH+](CCOCC(C)C)CC2)cc1 ZINC001113411306 808903834 /nfs/dbraw/zinc/90/38/34/808903834.db2.gz QRFOSUXVTNMZJA-UHFFFAOYSA-N 1 2 344.455 2.129 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(-c3c[nH]cn3)cc2)CC1 ZINC001113488288 809075473 /nfs/dbraw/zinc/07/54/73/809075473.db2.gz DDEARRMPXSQVSX-UHFFFAOYSA-N 1 2 340.427 2.037 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnn([C@H](C)CC)c2C)CC1 ZINC001113517386 809119213 /nfs/dbraw/zinc/11/92/13/809119213.db2.gz NBSAGNYTINILLR-OAHLLOKOSA-N 1 2 334.464 2.123 20 30 EEEDLO Cc1cc(N(C)[C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)nc(C(C)C)[nH+]1 ZINC001113556040 809201787 /nfs/dbraw/zinc/20/17/87/809201787.db2.gz ZUPPLWVYPFBQEI-ZDUSSCGKSA-N 1 2 340.431 2.363 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001113583118 809296485 /nfs/dbraw/zinc/29/64/85/809296485.db2.gz XJMHIARTLSXKMZ-KSSFIOAISA-N 1 2 334.464 2.176 20 30 EEEDLO Cc1ncccc1C[NH+]1CCN(C(=O)CC#Cc2ccccc2)CC1 ZINC001113668328 809495664 /nfs/dbraw/zinc/49/56/64/809495664.db2.gz BHBHZVZYIFFCKC-UHFFFAOYSA-N 1 2 333.435 2.476 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H](C)N(C)c2nc(C)[nH+]c(C)c2C)c1 ZINC001113865632 809984007 /nfs/dbraw/zinc/98/40/07/809984007.db2.gz SRTIQQFXDMBOJO-GFCCVEGCSA-N 1 2 337.427 2.033 20 30 EEEDLO C[C@H](CNC(=O)CCc1[nH+]ccn1C)N(C)c1cccc(F)c1C#N ZINC001114015612 810190087 /nfs/dbraw/zinc/19/00/87/810190087.db2.gz JMXAABGBWXRNOZ-CYBMUJFWSA-N 1 2 343.406 2.005 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC1(CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001114171350 810504849 /nfs/dbraw/zinc/50/48/49/810504849.db2.gz VUUBQILYLBMWNS-CQSZACIVSA-N 1 2 330.432 2.054 20 30 EEEDLO N#Cc1ccc(NCC2(NC(=O)Cc3c[nH]c[nH+]3)CCCCC2)nc1 ZINC001114181784 810546557 /nfs/dbraw/zinc/54/65/57/810546557.db2.gz XQDBGYDMCNXVRH-UHFFFAOYSA-N 1 2 338.415 2.150 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](OCC)C(C)C ZINC001114249714 810679586 /nfs/dbraw/zinc/67/95/86/810679586.db2.gz HYEOFEHYRKUYPB-DGAVXFQQSA-N 1 2 345.281 2.003 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](OCC)C(C)C ZINC001114249714 810679593 /nfs/dbraw/zinc/67/95/93/810679593.db2.gz HYEOFEHYRKUYPB-DGAVXFQQSA-N 1 2 345.281 2.003 20 30 EEEDLO C=CCCOCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]21 ZINC001114282939 810753753 /nfs/dbraw/zinc/75/37/53/810753753.db2.gz JTXNKVUDMBPFLV-MNZLEMJZSA-N 1 2 347.459 2.292 20 30 EEEDLO C=CCCOCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]21 ZINC001114282939 810753762 /nfs/dbraw/zinc/75/37/62/810753762.db2.gz JTXNKVUDMBPFLV-MNZLEMJZSA-N 1 2 347.459 2.292 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCCCCCCCC)[C@@H](n2ccnn2)C1 ZINC001129403728 810839834 /nfs/dbraw/zinc/83/98/34/810839834.db2.gz GNONICOVQDRVRJ-MSOLQXFVSA-N 1 2 345.491 2.394 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCCCCCCCC)[C@@H](n2ccnn2)C1 ZINC001129403728 810839842 /nfs/dbraw/zinc/83/98/42/810839842.db2.gz GNONICOVQDRVRJ-MSOLQXFVSA-N 1 2 345.491 2.394 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[NH2+][C@@H](C)c2csnn2)cc1 ZINC001130371099 811520944 /nfs/dbraw/zinc/52/09/44/811520944.db2.gz CCIYCWHNTPPSHU-LBPRGKRZSA-N 1 2 332.429 2.184 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@]2(CC[N@H+](Cc3nccs3)C2)C1 ZINC001131646347 813073137 /nfs/dbraw/zinc/07/31/37/813073137.db2.gz UETQCCASNHDWJJ-PBHICJAKSA-N 1 2 335.473 2.301 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)O[C@]2(CC[N@@H+](Cc3nccs3)C2)C1 ZINC001131646347 813073145 /nfs/dbraw/zinc/07/31/45/813073145.db2.gz UETQCCASNHDWJJ-PBHICJAKSA-N 1 2 335.473 2.301 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@H](C)O[C@@]2(CC[N@H+](Cc3ccon3)C2)C1 ZINC001131689159 813123065 /nfs/dbraw/zinc/12/30/65/813123065.db2.gz WLQAAYALDRGZSR-HNAYVOBHSA-N 1 2 347.459 2.469 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@H](C)O[C@@]2(CC[N@@H+](Cc3ccon3)C2)C1 ZINC001131689159 813123074 /nfs/dbraw/zinc/12/30/74/813123074.db2.gz WLQAAYALDRGZSR-HNAYVOBHSA-N 1 2 347.459 2.469 20 30 EEEDLO C=CCCOCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@H+](CC(=C)Cl)C2)C1 ZINC001131700812 813131854 /nfs/dbraw/zinc/13/18/54/813131854.db2.gz JZHWAIZYIABDHV-NVXWUHKLSA-N 1 2 342.867 2.023 20 30 EEEDLO C=CCCOCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@@H+](CC(=C)Cl)C2)C1 ZINC001131700812 813131861 /nfs/dbraw/zinc/13/18/61/813131861.db2.gz JZHWAIZYIABDHV-NVXWUHKLSA-N 1 2 342.867 2.023 20 30 EEEDLO Cc1nocc1C(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001437804062 1090389857 /nfs/dbraw/zinc/38/98/57/1090389857.db2.gz KENPWFWOPMPPOU-UHFFFAOYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nocc1C(=O)NCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001437804062 1090389861 /nfs/dbraw/zinc/38/98/61/1090389861.db2.gz KENPWFWOPMPPOU-UHFFFAOYSA-N 1 2 342.374 2.388 20 30 EEEDLO COCC[N@H+](CCNC(=O)c1ccc(C)o1)Cc1ccccc1C#N ZINC001449333086 1094285107 /nfs/dbraw/zinc/28/51/07/1094285107.db2.gz SJDOXGAXPAMDKR-UHFFFAOYSA-N 1 2 341.411 2.338 20 30 EEEDLO COCC[N@@H+](CCNC(=O)c1ccc(C)o1)Cc1ccccc1C#N ZINC001449333086 1094285113 /nfs/dbraw/zinc/28/51/13/1094285113.db2.gz SJDOXGAXPAMDKR-UHFFFAOYSA-N 1 2 341.411 2.338 20 30 EEEDLO CCc1cc(C(=O)N(C)CC[N@H+](C)Cc2ccc(C#N)s2)n[nH]1 ZINC001444963404 1100078831 /nfs/dbraw/zinc/07/88/31/1100078831.db2.gz MOCXTUSTLNIZTQ-UHFFFAOYSA-N 1 2 331.445 2.109 20 30 EEEDLO CCc1cc(C(=O)N(C)CC[N@@H+](C)Cc2ccc(C#N)s2)n[nH]1 ZINC001444963404 1100078837 /nfs/dbraw/zinc/07/88/37/1100078837.db2.gz MOCXTUSTLNIZTQ-UHFFFAOYSA-N 1 2 331.445 2.109 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCOC1 ZINC001447326563 1102454312 /nfs/dbraw/zinc/45/43/12/1102454312.db2.gz JUVQHWURDYYELU-CYBMUJFWSA-N 1 2 333.270 2.102 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCOC1 ZINC001447326563 1102454321 /nfs/dbraw/zinc/45/43/21/1102454321.db2.gz JUVQHWURDYYELU-CYBMUJFWSA-N 1 2 333.270 2.102 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1c(C)cnn1C ZINC001447343045 1102487366 /nfs/dbraw/zinc/48/73/66/1102487366.db2.gz HBRHZODAKZSPTM-UHFFFAOYSA-N 1 2 343.269 2.031 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1c(C)cnn1C ZINC001447343045 1102487372 /nfs/dbraw/zinc/48/73/72/1102487372.db2.gz HBRHZODAKZSPTM-UHFFFAOYSA-N 1 2 343.269 2.031 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cnn3ccncc23)C1 ZINC001493957477 1103193965 /nfs/dbraw/zinc/19/39/65/1103193965.db2.gz UHAQPIFHGVQTAK-CQSZACIVSA-N 1 2 347.850 2.408 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cnn3ccncc23)C1 ZINC001493957477 1103193971 /nfs/dbraw/zinc/19/39/71/1103193971.db2.gz UHAQPIFHGVQTAK-CQSZACIVSA-N 1 2 347.850 2.408 20 30 EEEDLO C[C@H](C#N)C(=O)N(C)CC(C)(C)C[NH2+]Cc1noc(C2CCC2)n1 ZINC001447949862 1103673989 /nfs/dbraw/zinc/67/39/89/1103673989.db2.gz SYVJQGNQFYECJL-GFCCVEGCSA-N 1 2 333.436 2.071 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)COc2ccccc2F)C1 ZINC001448364364 1104463622 /nfs/dbraw/zinc/46/36/22/1104463622.db2.gz VOWXZRZMNIHGQF-LBPRGKRZSA-N 1 2 326.799 2.394 20 30 EEEDLO C[C@H](c1nccs1)N1CC[NH+](C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001459904175 1110250090 /nfs/dbraw/zinc/25/00/90/1110250090.db2.gz YSNILHVTQARYAI-RHSMWYFYSA-N 1 2 342.468 2.427 20 30 EEEDLO N#Cc1ccccc1C[NH2+]C1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001499233162 1112191770 /nfs/dbraw/zinc/19/17/70/1112191770.db2.gz RGTZBKHFJXCSOK-LBPRGKRZSA-N 1 2 329.297 2.197 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)C1CCN(OC)CC1 ZINC001515297640 1118960972 /nfs/dbraw/zinc/96/09/72/1118960972.db2.gz VWFQHHHESPYGBD-MRXNPFEDSA-N 1 2 348.495 2.083 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)C1CCN(OC)CC1 ZINC001515297640 1118960977 /nfs/dbraw/zinc/96/09/77/1118960977.db2.gz VWFQHHHESPYGBD-MRXNPFEDSA-N 1 2 348.495 2.083 20 30 EEEDLO Cn1c[nH+]cc1CCCOC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC001525848464 1120364560 /nfs/dbraw/zinc/36/45/60/1120364560.db2.gz XVCHXGLRIIMQEE-SFHVURJKSA-N 1 2 338.411 2.437 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001567887234 1124158462 /nfs/dbraw/zinc/15/84/62/1124158462.db2.gz IRTWVXFRDPDMAF-WMLDXEAASA-N 1 2 345.418 2.369 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001567887234 1124158469 /nfs/dbraw/zinc/15/84/69/1124158469.db2.gz IRTWVXFRDPDMAF-WMLDXEAASA-N 1 2 345.418 2.369 20 30 EEEDLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554695 219136920 /nfs/dbraw/zinc/13/69/20/219136920.db2.gz SLUDBEYPMGVUQV-QGZVFWFLSA-N 1 2 340.471 2.471 20 30 EEEDLO Cc1cc2cc[nH]c2cc1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000328619203 539756983 /nfs/dbraw/zinc/75/69/83/539756983.db2.gz VSWQIWSRKKIHQH-HNNXBMFYSA-N 1 2 328.416 2.428 20 30 EEEDLO CC(=O)N[C@H](CC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1cccs1 ZINC000329044746 539766096 /nfs/dbraw/zinc/76/60/96/539766096.db2.gz JERYATDIILUHNV-CHWSQXEVSA-N 1 2 325.434 2.443 20 30 EEEDLO CC(=O)N[C@H](CC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1cccs1 ZINC000329044746 539766099 /nfs/dbraw/zinc/76/60/99/539766099.db2.gz JERYATDIILUHNV-CHWSQXEVSA-N 1 2 325.434 2.443 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329646308 539779042 /nfs/dbraw/zinc/77/90/42/539779042.db2.gz DNULRSRMNLOSAI-SIXWZSSISA-N 1 2 330.428 2.404 20 30 EEEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)/C=C/c3cccc(C#N)c3)CC2)S1 ZINC000073118310 216351605 /nfs/dbraw/zinc/35/16/05/216351605.db2.gz IWMZGQULUWFUKH-VBROQKIQSA-N 1 2 340.452 2.207 20 30 EEEDLO Cc1cc(C#N)cc(N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)n1 ZINC000418936974 239375696 /nfs/dbraw/zinc/37/56/96/239375696.db2.gz CKTMSUXYLYZUJR-GOSISDBHSA-N 1 2 330.432 2.162 20 30 EEEDLO C=CCc1cc(CNC(=O)[C@@H]([NH3+])c2cscn2)cc(OC)c1OC ZINC000423136904 240379325 /nfs/dbraw/zinc/37/93/25/240379325.db2.gz ZSCGFGICIYHZHJ-HNNXBMFYSA-N 1 2 347.440 2.205 20 30 EEEDLO CO[C@@H]1C[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1OC ZINC000487978586 245641663 /nfs/dbraw/zinc/64/16/63/245641663.db2.gz HCNBXNKOYVELLM-RTBURBONSA-N 1 2 341.411 2.083 20 30 EEEDLO N#Cc1cccc(/C=C\C(=O)N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000490856294 245884895 /nfs/dbraw/zinc/88/48/95/245884895.db2.gz NWNKIAYZGYGECM-PLNGDYQASA-N 1 2 332.407 2.311 20 30 EEEDLO Cc1cccc(/C=C\C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000491367311 246006274 /nfs/dbraw/zinc/00/62/74/246006274.db2.gz OAHRKZDFBQDLEG-SREVYHEPSA-N 1 2 327.428 2.083 20 30 EEEDLO C#CC[N@@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1 ZINC000491452257 246035384 /nfs/dbraw/zinc/03/53/84/246035384.db2.gz KBTUJZNOSCEPQN-UHFFFAOYSA-N 1 2 349.434 2.462 20 30 EEEDLO C#CC[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1 ZINC000491452257 246035390 /nfs/dbraw/zinc/03/53/90/246035390.db2.gz KBTUJZNOSCEPQN-UHFFFAOYSA-N 1 2 349.434 2.462 20 30 EEEDLO C#CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)C1CC1 ZINC000491643576 246094351 /nfs/dbraw/zinc/09/43/51/246094351.db2.gz GGSHQTKPSOOZSY-KRWDZBQOSA-N 1 2 340.423 2.219 20 30 EEEDLO C#CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)C1CC1 ZINC000491643576 246094358 /nfs/dbraw/zinc/09/43/58/246094358.db2.gz GGSHQTKPSOOZSY-KRWDZBQOSA-N 1 2 340.423 2.219 20 30 EEEDLO COC(=O)N1CCN(c2ccc(N[C@@H]3CC[C@@H](C#N)C3)c[nH+]2)CC1 ZINC000495674424 247215761 /nfs/dbraw/zinc/21/57/61/247215761.db2.gz YSLPBWCUZYZGOA-ZIAGYGMSSA-N 1 2 329.404 2.074 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C(C)C)CC1 ZINC000491465459 533159585 /nfs/dbraw/zinc/15/95/85/533159585.db2.gz XANBPRNLVVGPER-UHFFFAOYSA-N 1 2 334.427 2.153 20 30 EEEDLO CC(C)CO[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000119658191 221369083 /nfs/dbraw/zinc/36/90/83/221369083.db2.gz PRKFEECSPJCZIJ-MRXNPFEDSA-N 1 2 336.457 2.079 20 30 EEEDLO CC(C)CO[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000119658191 221369086 /nfs/dbraw/zinc/36/90/86/221369086.db2.gz PRKFEECSPJCZIJ-MRXNPFEDSA-N 1 2 336.457 2.079 20 30 EEEDLO C#CCC[N@H+]1CC[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)[C@H]1CC ZINC001087637662 781992823 /nfs/dbraw/zinc/99/28/23/781992823.db2.gz CDMDSDFDQVMVJU-ZWKOTPCHSA-N 1 2 337.423 2.134 20 30 EEEDLO C#CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)[C@H]1CC ZINC001087637662 781992832 /nfs/dbraw/zinc/99/28/32/781992832.db2.gz CDMDSDFDQVMVJU-ZWKOTPCHSA-N 1 2 337.423 2.134 20 30 EEEDLO C#C[C@@H](CCC)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000491800990 533244188 /nfs/dbraw/zinc/24/41/88/533244188.db2.gz BOTAUXYMCOFFHP-SFHVURJKSA-N 1 2 329.444 2.120 20 30 EEEDLO CCN(CCNc1ccc(C#N)c(C)n1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001106967800 781995267 /nfs/dbraw/zinc/99/52/67/781995267.db2.gz ZZRGDGPFGYZOQR-CYBMUJFWSA-N 1 2 340.431 2.124 20 30 EEEDLO CCN(CCNc1ccc(C#N)c(C)n1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001106967800 781995274 /nfs/dbraw/zinc/99/52/74/781995274.db2.gz ZZRGDGPFGYZOQR-CYBMUJFWSA-N 1 2 340.431 2.124 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1C#N ZINC000067593522 292159923 /nfs/dbraw/zinc/15/99/23/292159923.db2.gz OCAQDHBSNNMYDW-GFCCVEGCSA-N 1 2 348.472 2.231 20 30 EEEDLO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000357759448 153329530 /nfs/dbraw/zinc/32/95/30/153329530.db2.gz HDGHOFIBPGHBMW-LJQANCHMSA-N 1 2 345.406 2.369 20 30 EEEDLO CC(=O)CCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000194531290 160196038 /nfs/dbraw/zinc/19/60/38/160196038.db2.gz ZQIARVNKYNYPTM-UHFFFAOYSA-N 1 2 327.428 2.352 20 30 EEEDLO CC(=O)CCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000194531290 160196039 /nfs/dbraw/zinc/19/60/39/160196039.db2.gz ZQIARVNKYNYPTM-UHFFFAOYSA-N 1 2 327.428 2.352 20 30 EEEDLO CCOC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000194870328 160201996 /nfs/dbraw/zinc/20/19/96/160201996.db2.gz INCBJRBRZRZFIB-AWEZNQCLSA-N 1 2 344.415 2.049 20 30 EEEDLO CCOC(=O)N1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000194870328 160201997 /nfs/dbraw/zinc/20/19/97/160201997.db2.gz INCBJRBRZRZFIB-AWEZNQCLSA-N 1 2 344.415 2.049 20 30 EEEDLO N#Cc1cccc(OCCC[N@H+]2CCNC(=O)[C@H]2Cc2ccccc2)c1 ZINC000343998238 161188264 /nfs/dbraw/zinc/18/82/64/161188264.db2.gz VCCBULIFCNMRIU-HXUWFJFHSA-N 1 2 349.434 2.370 20 30 EEEDLO N#Cc1cccc(OCCC[N@@H+]2CCNC(=O)[C@H]2Cc2ccccc2)c1 ZINC000343998238 161188265 /nfs/dbraw/zinc/18/82/65/161188265.db2.gz VCCBULIFCNMRIU-HXUWFJFHSA-N 1 2 349.434 2.370 20 30 EEEDLO C[N@H+](CCc1ccccc1O)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000344158567 161203329 /nfs/dbraw/zinc/20/33/29/161203329.db2.gz ZTOLRSNRBYQCTO-UHFFFAOYSA-N 1 2 344.436 2.212 20 30 EEEDLO C[N@@H+](CCc1ccccc1O)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000344158567 161203330 /nfs/dbraw/zinc/20/33/30/161203330.db2.gz ZTOLRSNRBYQCTO-UHFFFAOYSA-N 1 2 344.436 2.212 20 30 EEEDLO C[C@H]1C[NH+](CCN(C)C(=O)CSc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000345403533 161299288 /nfs/dbraw/zinc/29/92/88/161299288.db2.gz OBKYMMGPKVCACP-GJZGRUSLSA-N 1 2 347.484 2.218 20 30 EEEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000367728237 165998042 /nfs/dbraw/zinc/99/80/42/165998042.db2.gz UZBKUVQLROATFL-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO Cc1cccc2ncc(C[N@H+]3CCN(c4nccnc4C#N)C[C@H]3C)n21 ZINC000354995271 163044024 /nfs/dbraw/zinc/04/40/24/163044024.db2.gz TZOZMKZIVQYNPH-OAHLLOKOSA-N 1 2 347.426 2.015 20 30 EEEDLO Cc1cccc2ncc(C[N@@H+]3CCN(c4nccnc4C#N)C[C@H]3C)n21 ZINC000354995271 163044029 /nfs/dbraw/zinc/04/40/29/163044029.db2.gz TZOZMKZIVQYNPH-OAHLLOKOSA-N 1 2 347.426 2.015 20 30 EEEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356424758 163444259 /nfs/dbraw/zinc/44/42/59/163444259.db2.gz XGVWUCREDFYOMA-GFCCVEGCSA-N 1 2 326.322 2.080 20 30 EEEDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356424758 163444261 /nfs/dbraw/zinc/44/42/61/163444261.db2.gz XGVWUCREDFYOMA-GFCCVEGCSA-N 1 2 326.322 2.080 20 30 EEEDLO Cc1cccc(S(=O)(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c1C#N ZINC000295246139 270018263 /nfs/dbraw/zinc/01/82/63/270018263.db2.gz JWZUNBZHSLWACY-HNNXBMFYSA-N 1 2 344.440 2.372 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000298014270 270018526 /nfs/dbraw/zinc/01/85/26/270018526.db2.gz CSEWWJNTFITSCE-UHFFFAOYSA-N 1 2 341.346 2.323 20 30 EEEDLO N#Cc1ccccc1S(=O)(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000443127208 270020592 /nfs/dbraw/zinc/02/05/92/270020592.db2.gz CKKMSWCQDZQMDD-UHFFFAOYSA-N 1 2 338.392 2.222 20 30 EEEDLO COc1ccnc(N2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)n1 ZINC000439426490 270020328 /nfs/dbraw/zinc/02/03/28/270020328.db2.gz VXJLGEZNAKCNLQ-UHFFFAOYSA-N 1 2 343.818 2.332 20 30 EEEDLO Cc1ccc(C#N)cc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287202257 267385859 /nfs/dbraw/zinc/38/58/59/267385859.db2.gz ZHPSDWSOXSLINS-ZBFHGGJFSA-N 1 2 328.416 2.194 20 30 EEEDLO COc1cc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)ccc1C#N ZINC000443069215 267584355 /nfs/dbraw/zinc/58/43/55/267584355.db2.gz MGWSMOMYKDNXKJ-KRWDZBQOSA-N 1 2 342.443 2.145 20 30 EEEDLO COc1cc(C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)ccc1C#N ZINC000443069215 267584357 /nfs/dbraw/zinc/58/43/57/267584357.db2.gz MGWSMOMYKDNXKJ-KRWDZBQOSA-N 1 2 342.443 2.145 20 30 EEEDLO Cc1ccn2cc(CNC(=O)C(=O)Nc3cccc(C#N)c3C)[nH+]c2c1 ZINC000431956626 268062453 /nfs/dbraw/zinc/06/24/53/268062453.db2.gz CZZIELPKIKDMNE-UHFFFAOYSA-N 1 2 347.378 2.078 20 30 EEEDLO C#C[C@@H](C)N(C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000491813576 277700076 /nfs/dbraw/zinc/70/00/76/277700076.db2.gz BALFKYAORUHSBV-SJLPKXTDSA-N 1 2 329.444 2.031 20 30 EEEDLO CN1CC[N@H+](C)C[C@H]1c1noc(C(C)(C)c2cc(F)cc(C#N)c2)n1 ZINC000350046926 312313279 /nfs/dbraw/zinc/31/32/79/312313279.db2.gz IVHSNGATBWUDLZ-HNNXBMFYSA-N 1 2 343.406 2.325 20 30 EEEDLO CN1CC[N@@H+](C)C[C@H]1c1noc(C(C)(C)c2cc(F)cc(C#N)c2)n1 ZINC000350046926 312313282 /nfs/dbraw/zinc/31/32/82/312313282.db2.gz IVHSNGATBWUDLZ-HNNXBMFYSA-N 1 2 343.406 2.325 20 30 EEEDLO COC(=O)[C@H]([NH2+]CCOc1cccc(C#N)c1)[C@H]1CCC[C@H](OC)C1 ZINC000576878936 320212018 /nfs/dbraw/zinc/21/20/18/320212018.db2.gz IQIKDIZVPVTARF-XYJFISCASA-N 1 2 346.427 2.273 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)c2ccn(C)c2C)C1 ZINC001033401181 1194544078 /nfs/dbraw/zinc/54/40/78/1194544078.db2.gz RIDATAIQFUFNNP-ZDUSSCGKSA-N 1 2 340.265 2.388 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(C)c2C)C1 ZINC001033401181 1194544083 /nfs/dbraw/zinc/54/40/83/1194544083.db2.gz RIDATAIQFUFNNP-ZDUSSCGKSA-N 1 2 340.265 2.388 20 30 EEEDLO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)c2[nH+]ccn21 ZINC000581707880 324305701 /nfs/dbraw/zinc/30/57/01/324305701.db2.gz FXSJKDSILIZIJT-SKDRFNHKSA-N 1 2 336.804 2.392 20 30 EEEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2nn(C)cc2C#N)CC1 ZINC000613204999 450078643 /nfs/dbraw/zinc/07/86/43/450078643.db2.gz CTSMAAZOYQJKFM-LBPRGKRZSA-N 1 2 344.444 2.264 20 30 EEEDLO CCc1ccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)nc1 ZINC000339052086 465054268 /nfs/dbraw/zinc/05/42/68/465054268.db2.gz CTTFCWTYLZPEMT-MGPUTAFESA-N 1 2 332.407 2.489 20 30 EEEDLO CCc1ccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)nc1 ZINC000339052086 465054271 /nfs/dbraw/zinc/05/42/71/465054271.db2.gz CTTFCWTYLZPEMT-MGPUTAFESA-N 1 2 332.407 2.489 20 30 EEEDLO N#Cc1ccc(NCc2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000351019828 465056225 /nfs/dbraw/zinc/05/62/25/465056225.db2.gz BHXWOYHCLQJEDR-JKSUJKDBSA-N 1 2 339.399 2.479 20 30 EEEDLO N#Cc1ccc(NCc2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000351019828 465056233 /nfs/dbraw/zinc/05/62/33/465056233.db2.gz BHXWOYHCLQJEDR-JKSUJKDBSA-N 1 2 339.399 2.479 20 30 EEEDLO CC(C)(C(=O)N[C@@H]1CCOC2(CCSCC2)C1)[NH+]1CCOCC1 ZINC000328677011 465097133 /nfs/dbraw/zinc/09/71/33/465097133.db2.gz LUAHOWKFKVFKAT-CQSZACIVSA-N 1 2 342.505 2.499 20 30 EEEDLO O=C(NCc1cn2ccccc2[nH+]1)N[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000328852938 465148199 /nfs/dbraw/zinc/14/81/99/465148199.db2.gz BVUUKSZOZCBZRV-CZUORRHYSA-N 1 2 327.388 2.235 20 30 EEEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)N[C@H](c1ccccc1)C1CC1 ZINC000328915860 465166815 /nfs/dbraw/zinc/16/68/15/465166815.db2.gz QYMKPMASQIKOFE-GOEBONIOSA-N 1 2 342.399 2.171 20 30 EEEDLO CC[C@H](C(=O)N(CCC#N)Cc1cccnc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339254545 465169018 /nfs/dbraw/zinc/16/90/18/465169018.db2.gz WPRXKYRKJHLAQG-QZTJIDSGSA-N 1 2 344.459 2.213 20 30 EEEDLO CC[C@H](C(=O)N(CCC#N)Cc1cccnc1)[N@H+]1CCO[C@H](CC)C1 ZINC000339254545 465169025 /nfs/dbraw/zinc/16/90/25/465169025.db2.gz WPRXKYRKJHLAQG-QZTJIDSGSA-N 1 2 344.459 2.213 20 30 EEEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3ccc4c(c3)OCCO4)C2)n1 ZINC000328943781 465176031 /nfs/dbraw/zinc/17/60/31/465176031.db2.gz AMQQHJUAIPFUEN-GFCCVEGCSA-N 1 2 344.371 2.227 20 30 EEEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc4c(c3)OCCO4)C2)n1 ZINC000328943781 465176037 /nfs/dbraw/zinc/17/60/37/465176037.db2.gz AMQQHJUAIPFUEN-GFCCVEGCSA-N 1 2 344.371 2.227 20 30 EEEDLO Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)nn1 ZINC000328954067 465181141 /nfs/dbraw/zinc/18/11/41/465181141.db2.gz MRCNQAIPGFMONO-GJZGRUSLSA-N 1 2 340.431 2.169 20 30 EEEDLO N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000296416985 465186610 /nfs/dbraw/zinc/18/66/10/465186610.db2.gz UOKKUZPLQPWFTB-UHFFFAOYSA-N 1 2 348.403 2.130 20 30 EEEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000329108955 465236216 /nfs/dbraw/zinc/23/62/16/465236216.db2.gz FPQGRSGKIPAAFV-XLMAVXFVSA-N 1 2 348.447 2.018 20 30 EEEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCO[C@]3(CCOC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000329108955 465236220 /nfs/dbraw/zinc/23/62/20/465236220.db2.gz FPQGRSGKIPAAFV-XLMAVXFVSA-N 1 2 348.447 2.018 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000341970001 465280197 /nfs/dbraw/zinc/28/01/97/465280197.db2.gz CXPKRVNAEFOEII-SFHVURJKSA-N 1 2 341.455 2.432 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@H]2CCN(c3ccccc3OC)C2=O)CC1 ZINC000341980723 465280871 /nfs/dbraw/zinc/28/08/71/465280871.db2.gz AXQDWEDABJVEJD-INIZCTEOSA-N 1 2 343.427 2.053 20 30 EEEDLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(C#N)(COC)CC1 ZINC000341992282 465282748 /nfs/dbraw/zinc/28/27/48/465282748.db2.gz PIOIUJDEFATFJV-HNNXBMFYSA-N 1 2 348.447 2.733 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCn2c[nH+]cc2C1 ZINC000590599665 468283798 /nfs/dbraw/zinc/28/37/98/468283798.db2.gz KMTKRIHGYMKFMF-LLVKDONJSA-N 1 2 329.791 2.251 20 30 EEEDLO C=CCN(CC=C)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000045876900 462627165 /nfs/dbraw/zinc/62/71/65/462627165.db2.gz KWSPQNNXLPSMGB-HNNXBMFYSA-N 1 2 330.432 2.190 20 30 EEEDLO CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000128693754 462663687 /nfs/dbraw/zinc/66/36/87/462663687.db2.gz CLPSTBDRFICYRW-QGZVFWFLSA-N 1 2 335.411 2.374 20 30 EEEDLO C#CCCCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000129218106 462696481 /nfs/dbraw/zinc/69/64/81/462696481.db2.gz ZSHJHVQZUPIVON-IBGZPJMESA-N 1 2 343.471 2.033 20 30 EEEDLO C#CCSCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000130708796 462773035 /nfs/dbraw/zinc/77/30/35/462773035.db2.gz TUQLVNCUSWYBPN-INIZCTEOSA-N 1 2 334.510 2.259 20 30 EEEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000155262623 462868176 /nfs/dbraw/zinc/86/81/76/462868176.db2.gz OTFKLPOWQJBERQ-OWCLPIDISA-N 1 2 345.443 2.155 20 30 EEEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000155262623 462868184 /nfs/dbraw/zinc/86/81/84/462868184.db2.gz OTFKLPOWQJBERQ-OWCLPIDISA-N 1 2 345.443 2.155 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000048812533 462940651 /nfs/dbraw/zinc/94/06/51/462940651.db2.gz RPTUIXCONIADCN-UHFFFAOYSA-N 1 2 329.444 2.018 20 30 EEEDLO CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000077169900 462945781 /nfs/dbraw/zinc/94/57/81/462945781.db2.gz HCOICYKPUOUMBB-ABAIWWIYSA-N 1 2 348.834 2.139 20 30 EEEDLO CC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000077169900 462945788 /nfs/dbraw/zinc/94/57/88/462945788.db2.gz HCOICYKPUOUMBB-ABAIWWIYSA-N 1 2 348.834 2.139 20 30 EEEDLO C=CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1cccs1 ZINC000050274595 462993210 /nfs/dbraw/zinc/99/32/10/462993210.db2.gz PZKMMUCTCLQZPF-UHFFFAOYSA-N 1 2 335.351 2.124 20 30 EEEDLO C=CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1cccs1 ZINC000050274595 462993216 /nfs/dbraw/zinc/99/32/16/462993216.db2.gz PZKMMUCTCLQZPF-UHFFFAOYSA-N 1 2 335.351 2.124 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000052685871 463100115 /nfs/dbraw/zinc/10/01/15/463100115.db2.gz HJPPSQPTCAFRHQ-LJQANCHMSA-N 1 2 339.443 2.359 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000052685871 463100119 /nfs/dbraw/zinc/10/01/19/463100119.db2.gz HJPPSQPTCAFRHQ-LJQANCHMSA-N 1 2 339.443 2.359 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1cnn(C)c1 ZINC000027539610 463193903 /nfs/dbraw/zinc/19/39/03/463193903.db2.gz PIHDGCICYGFVCQ-LLVKDONJSA-N 1 2 331.807 2.404 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1cnn(C)c1 ZINC000027539610 463193908 /nfs/dbraw/zinc/19/39/08/463193908.db2.gz PIHDGCICYGFVCQ-LLVKDONJSA-N 1 2 331.807 2.404 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000069357436 463234953 /nfs/dbraw/zinc/23/49/53/463234953.db2.gz HBKKJGMDTIMVFL-HKUYNNGSSA-N 1 2 346.471 2.466 20 30 EEEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCc2cccc(C#N)c2)C1 ZINC000136785511 463258603 /nfs/dbraw/zinc/25/86/03/463258603.db2.gz RXIBJDIZTNTTPN-QGZVFWFLSA-N 1 2 337.427 2.456 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000032830894 463397839 /nfs/dbraw/zinc/39/78/39/463397839.db2.gz GVPCZXAEPXWXTN-DNVCBOLYSA-N 1 2 346.450 2.391 20 30 EEEDLO N#Cc1cccc(/C=C/C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000033046897 463410547 /nfs/dbraw/zinc/41/05/47/463410547.db2.gz NIMYLUFKFVTKOG-SNAWJCMRSA-N 1 2 348.406 2.119 20 30 EEEDLO COC(=O)c1ccoc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000105576305 463456333 /nfs/dbraw/zinc/45/63/33/463456333.db2.gz VADYLVFNXQANKX-UHFFFAOYSA-N 1 2 339.395 2.256 20 30 EEEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000161907865 463467791 /nfs/dbraw/zinc/46/77/91/463467791.db2.gz RPKWUNOGVIFPEO-YPMHNXCESA-N 1 2 327.222 2.423 20 30 EEEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000161907865 463467794 /nfs/dbraw/zinc/46/77/94/463467794.db2.gz RPKWUNOGVIFPEO-YPMHNXCESA-N 1 2 327.222 2.423 20 30 EEEDLO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000151453177 463533070 /nfs/dbraw/zinc/53/30/70/463533070.db2.gz LYQNLVWHMSBERX-RBUKOAKNSA-N 1 2 341.455 2.173 20 30 EEEDLO N#CCC[C@@H](C#N)C[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000125836979 463584447 /nfs/dbraw/zinc/58/44/47/463584447.db2.gz HDFZSYGTCALAMN-HNNXBMFYSA-N 1 2 328.391 2.417 20 30 EEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000125836979 463584453 /nfs/dbraw/zinc/58/44/53/463584453.db2.gz HDFZSYGTCALAMN-HNNXBMFYSA-N 1 2 328.391 2.417 20 30 EEEDLO C[C@@H](C1CC1)N(C(=O)CO[NH+]=C(N)c1ccc(F)c(F)c1)C1CC1 ZINC000177480536 463716555 /nfs/dbraw/zinc/71/65/55/463716555.db2.gz FQHKANKPTQEESU-JTQLQIEISA-N 1 2 337.370 2.391 20 30 EEEDLO C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000287143657 463813684 /nfs/dbraw/zinc/81/36/84/463813684.db2.gz FXCMCCLGRGWUMI-WOJBJXKFSA-N 1 2 340.467 2.238 20 30 EEEDLO C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000287143657 463813691 /nfs/dbraw/zinc/81/36/91/463813691.db2.gz FXCMCCLGRGWUMI-WOJBJXKFSA-N 1 2 340.467 2.238 20 30 EEEDLO COC(=O)c1cccc([C@@H](C(=O)OC)[NH+]2CCC(CC#N)CC2)c1 ZINC000541948994 468383123 /nfs/dbraw/zinc/38/31/23/468383123.db2.gz PNAUWGFOASPPRS-INIZCTEOSA-N 1 2 330.384 2.313 20 30 EEEDLO CN1CC[NH+](Cc2cccc(NC(=O)Cc3ccc(C#N)cc3)c2)CC1 ZINC000194757209 463923633 /nfs/dbraw/zinc/92/36/33/463923633.db2.gz QJCNKOCWCVBTTH-UHFFFAOYSA-N 1 2 348.450 2.487 20 30 EEEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000186294460 463970265 /nfs/dbraw/zinc/97/02/65/463970265.db2.gz GFTDJRHFZUDDJH-KRWDZBQOSA-N 1 2 340.471 2.249 20 30 EEEDLO C[C@@H](c1cccc(C#N)c1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000186294460 463970270 /nfs/dbraw/zinc/97/02/70/463970270.db2.gz GFTDJRHFZUDDJH-KRWDZBQOSA-N 1 2 340.471 2.249 20 30 EEEDLO C=CCOc1ccc(CNC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000288585789 464050410 /nfs/dbraw/zinc/05/04/10/464050410.db2.gz XJYGWVZIJFKHCO-INIZCTEOSA-N 1 2 347.459 2.114 20 30 EEEDLO Cc1cccnc1OC1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000279178730 464053675 /nfs/dbraw/zinc/05/36/75/464053675.db2.gz CRBMJZMPVYKHLP-IBGZPJMESA-N 1 2 344.459 2.288 20 30 EEEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@H](C2CC2)O1 ZINC000279364979 464092512 /nfs/dbraw/zinc/09/25/12/464092512.db2.gz RIBMSSFREQGNQV-YJBOKZPZSA-N 1 2 327.428 2.433 20 30 EEEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@H](C2CC2)O1 ZINC000279364979 464092517 /nfs/dbraw/zinc/09/25/17/464092517.db2.gz RIBMSSFREQGNQV-YJBOKZPZSA-N 1 2 327.428 2.433 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187267371 464112070 /nfs/dbraw/zinc/11/20/70/464112070.db2.gz ZTOZARVSKLNNKL-MRXNPFEDSA-N 1 2 337.370 2.100 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187267371 464112076 /nfs/dbraw/zinc/11/20/76/464112076.db2.gz ZTOZARVSKLNNKL-MRXNPFEDSA-N 1 2 337.370 2.100 20 30 EEEDLO C[C@H]1CSCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000172588731 464113089 /nfs/dbraw/zinc/11/30/89/464113089.db2.gz KWHOPALDQBCYTK-ZDUSSCGKSA-N 1 2 341.440 2.120 20 30 EEEDLO C[C@H]1CSCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000172588731 464113097 /nfs/dbraw/zinc/11/30/97/464113097.db2.gz KWHOPALDQBCYTK-ZDUSSCGKSA-N 1 2 341.440 2.120 20 30 EEEDLO C=C(C)CS(=O)(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000187408404 464126698 /nfs/dbraw/zinc/12/66/98/464126698.db2.gz RHHHVAWOEKTOOK-UHFFFAOYSA-N 1 2 345.468 2.390 20 30 EEEDLO C#CC[C@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000279947688 464168818 /nfs/dbraw/zinc/16/88/18/464168818.db2.gz HMYCTNOGFASIIC-WMZOPIPTSA-N 1 2 329.444 2.113 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263774303 464185267 /nfs/dbraw/zinc/18/52/67/464185267.db2.gz XGCIOVITBLGKER-CRAIPNDOSA-N 1 2 329.444 2.240 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263774303 464185272 /nfs/dbraw/zinc/18/52/72/464185272.db2.gz XGCIOVITBLGKER-CRAIPNDOSA-N 1 2 329.444 2.240 20 30 EEEDLO C=C1CCN(C(=O)[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CC1 ZINC000284623281 464265765 /nfs/dbraw/zinc/26/57/65/464265765.db2.gz NGBNGZZHHCSTPL-CRAIPNDOSA-N 1 2 342.443 2.041 20 30 EEEDLO C#C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1F)C(C)C ZINC000280988688 464289598 /nfs/dbraw/zinc/28/95/98/464289598.db2.gz IXRZOQXCFLBMSB-STQMWFEESA-N 1 2 327.197 2.362 20 30 EEEDLO C=CCN(C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)C1CC1 ZINC000271361147 464295661 /nfs/dbraw/zinc/29/56/61/464295661.db2.gz FMEHFYSIFZIERN-SFHVURJKSA-N 1 2 343.471 2.290 20 30 EEEDLO C=C1CC[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 ZINC000264477470 464343104 /nfs/dbraw/zinc/34/31/04/464343104.db2.gz PDAFHOMURLPARN-UHFFFAOYSA-N 1 2 333.457 2.316 20 30 EEEDLO CCc1nc(CO[NH+]=C(N)c2cc(Cl)c(OC)c(OC)c2)no1 ZINC000264542503 464366605 /nfs/dbraw/zinc/36/66/05/464366605.db2.gz RMLQWMASZXDKMW-UHFFFAOYSA-N 1 2 340.767 2.140 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000293035325 464384503 /nfs/dbraw/zinc/38/45/03/464384503.db2.gz GOLDPBXKDJEKHD-UHFFFAOYSA-N 1 2 327.428 2.253 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000293035325 464384506 /nfs/dbraw/zinc/38/45/06/464384506.db2.gz GOLDPBXKDJEKHD-UHFFFAOYSA-N 1 2 327.428 2.253 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2c(C)cccc2C)C1=O ZINC000281370412 464430120 /nfs/dbraw/zinc/43/01/20/464430120.db2.gz OMOYDVWVXGHOMY-HOTGVXAUSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2c(C)cccc2C)C1=O ZINC000281370412 464430122 /nfs/dbraw/zinc/43/01/22/464430122.db2.gz OMOYDVWVXGHOMY-HOTGVXAUSA-N 1 2 329.444 2.349 20 30 EEEDLO COc1cc(CO[NH+]=C(N)C(C)(C)NC(C)=O)ccc1SC ZINC000264792145 464467009 /nfs/dbraw/zinc/46/70/09/464467009.db2.gz KZJVLFPBAQAOEH-UHFFFAOYSA-N 1 2 325.434 2.121 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000245460200 464484572 /nfs/dbraw/zinc/48/45/72/464484572.db2.gz FBXBPIBMGINJLW-FENDNCTDSA-N 1 2 349.500 2.425 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000245460200 464484577 /nfs/dbraw/zinc/48/45/77/464484577.db2.gz FBXBPIBMGINJLW-FENDNCTDSA-N 1 2 349.500 2.425 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000281630633 464527888 /nfs/dbraw/zinc/52/78/88/464527888.db2.gz XMYJROKKXLNBSX-SJLPKXTDSA-N 1 2 344.459 2.462 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000285472398 464577719 /nfs/dbraw/zinc/57/77/19/464577719.db2.gz AWCQUCPLMZYNKY-CQSZACIVSA-N 1 2 328.372 2.474 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000285472398 464577724 /nfs/dbraw/zinc/57/77/24/464577724.db2.gz AWCQUCPLMZYNKY-CQSZACIVSA-N 1 2 328.372 2.474 20 30 EEEDLO C[C@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H](CO)O1 ZINC000190106384 464598186 /nfs/dbraw/zinc/59/81/86/464598186.db2.gz PMHJFFVAMYFUFT-SWLSCSKDSA-N 1 2 329.318 2.018 20 30 EEEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H](CO)O1 ZINC000190106384 464598192 /nfs/dbraw/zinc/59/81/92/464598192.db2.gz PMHJFFVAMYFUFT-SWLSCSKDSA-N 1 2 329.318 2.018 20 30 EEEDLO C=CCNC(=O)CNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000182357984 464634994 /nfs/dbraw/zinc/63/49/94/464634994.db2.gz LOCFZBRTUNROED-UHFFFAOYSA-N 1 2 326.356 2.298 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](CC)CC(=O)Nc2c(F)cccc2F)C1=O ZINC000282117023 464703469 /nfs/dbraw/zinc/70/34/69/464703469.db2.gz XKUTVXNXZYSAPF-CQSZACIVSA-N 1 2 337.370 2.012 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](CC)CC(=O)Nc2c(F)cccc2F)C1=O ZINC000282117023 464703477 /nfs/dbraw/zinc/70/34/77/464703477.db2.gz XKUTVXNXZYSAPF-CQSZACIVSA-N 1 2 337.370 2.012 20 30 EEEDLO N#CCCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000273160938 464706627 /nfs/dbraw/zinc/70/66/27/464706627.db2.gz ZCTHXQNVIKNSGP-UHFFFAOYSA-N 1 2 339.399 2.121 20 30 EEEDLO Cc1ccc(N2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 ZINC000273552305 464720118 /nfs/dbraw/zinc/72/01/18/464720118.db2.gz MJJPIXKGAKSWIE-LJQANCHMSA-N 1 2 328.460 2.172 20 30 EEEDLO C[C@@H]([C@@H]1CCOC1)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000266225397 464769219 /nfs/dbraw/zinc/76/92/19/464769219.db2.gz QQISMMBNYQSCLP-QWHCGFSZSA-N 1 2 340.427 2.071 20 30 EEEDLO C=CC[N@@H+](CCOC)Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000191090430 464775701 /nfs/dbraw/zinc/77/57/01/464775701.db2.gz BHLCGIOXXUFHAC-UHFFFAOYSA-N 1 2 348.472 2.155 20 30 EEEDLO C=CC[N@H+](CCOC)Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000191090430 464775712 /nfs/dbraw/zinc/77/57/12/464775712.db2.gz BHLCGIOXXUFHAC-UHFFFAOYSA-N 1 2 348.472 2.155 20 30 EEEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cnn(CC(F)F)c2)CC1 ZINC000295308779 464784183 /nfs/dbraw/zinc/78/41/83/464784183.db2.gz KKHKQYDYSXYYMJ-UHFFFAOYSA-N 1 2 349.360 2.481 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2CC#Cc2ccc(F)cc2)O1 ZINC000282446013 464821239 /nfs/dbraw/zinc/82/12/39/464821239.db2.gz LMNBCGZFGQZJKM-LIRZEXBASA-N 1 2 331.387 2.361 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2CC#Cc2ccc(F)cc2)O1 ZINC000282446013 464821240 /nfs/dbraw/zinc/82/12/40/464821240.db2.gz LMNBCGZFGQZJKM-LIRZEXBASA-N 1 2 331.387 2.361 20 30 EEEDLO CCOc1ccc(OCCNC(=O)C[N@H+](CCC#N)CC2CC2)cc1 ZINC000266881001 464856586 /nfs/dbraw/zinc/85/65/86/464856586.db2.gz AAZZXMXKUKLSAG-UHFFFAOYSA-N 1 2 345.443 2.206 20 30 EEEDLO CCOc1ccc(OCCNC(=O)C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000266881001 464856593 /nfs/dbraw/zinc/85/65/93/464856593.db2.gz AAZZXMXKUKLSAG-UHFFFAOYSA-N 1 2 345.443 2.206 20 30 EEEDLO CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000267544114 464936395 /nfs/dbraw/zinc/93/63/95/464936395.db2.gz WFXHZRPMXVGEGW-CQSZACIVSA-N 1 2 327.344 2.449 20 30 EEEDLO CN1CC[C@H](C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1=O ZINC000329398240 465320815 /nfs/dbraw/zinc/32/08/15/465320815.db2.gz WYANNUWRYOOCNG-QWHCGFSZSA-N 1 2 332.448 2.320 20 30 EEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@@H]1CCCOCC1 ZINC000329417880 465327751 /nfs/dbraw/zinc/32/77/51/465327751.db2.gz DNSQDCXEEOCPLJ-LLVKDONJSA-N 1 2 334.342 2.360 20 30 EEEDLO CC[C@]1(C)Oc2ccc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)cc2O1 ZINC000329505093 465356439 /nfs/dbraw/zinc/35/64/39/465356439.db2.gz ILEWMLSMVBWGLO-FDQGKXFDSA-N 1 2 347.415 2.144 20 30 EEEDLO CC[C@]1(C)Oc2ccc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)cc2O1 ZINC000329505093 465356447 /nfs/dbraw/zinc/35/64/47/465356447.db2.gz ILEWMLSMVBWGLO-FDQGKXFDSA-N 1 2 347.415 2.144 20 30 EEEDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCOCC2(CCC2)C1 ZINC000329557372 465371624 /nfs/dbraw/zinc/37/16/24/465371624.db2.gz HRKCUBQNEPGDGY-HNNXBMFYSA-N 1 2 330.432 2.077 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000337457428 465379744 /nfs/dbraw/zinc/37/97/44/465379744.db2.gz POWDWOLYBKSEDB-KRWDZBQOSA-N 1 2 343.471 2.338 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000337457428 465379752 /nfs/dbraw/zinc/37/97/52/465379752.db2.gz POWDWOLYBKSEDB-KRWDZBQOSA-N 1 2 343.471 2.338 20 30 EEEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)Nc1ccncn1 ZINC000329810133 465441608 /nfs/dbraw/zinc/44/16/08/465441608.db2.gz BJBXPFWRBYEPKT-STQMWFEESA-N 1 2 348.382 2.020 20 30 EEEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)Nc1ccncn1 ZINC000329810133 465441612 /nfs/dbraw/zinc/44/16/12/465441612.db2.gz BJBXPFWRBYEPKT-STQMWFEESA-N 1 2 348.382 2.020 20 30 EEEDLO N#Cc1cccc(NCC(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c1 ZINC000337580983 465448489 /nfs/dbraw/zinc/44/84/89/465448489.db2.gz ISDVFERBGSYUOL-GOSISDBHSA-N 1 2 338.386 2.282 20 30 EEEDLO CC(C)(C)[C@@H]1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@@H]1O ZINC000329859840 465455083 /nfs/dbraw/zinc/45/50/83/465455083.db2.gz PBHVMSOVWMWRJN-ZNMIVQPWSA-N 1 2 334.464 2.403 20 30 EEEDLO N#Cc1ccc(NCC(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1 ZINC000337591004 465456428 /nfs/dbraw/zinc/45/64/28/465456428.db2.gz MXLSKFDNHSVGLA-SFHVURJKSA-N 1 2 338.386 2.282 20 30 EEEDLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CC12CCCC2 ZINC000329984024 465497118 /nfs/dbraw/zinc/49/71/18/465497118.db2.gz BTORWHBFYRRTGO-HNNXBMFYSA-N 1 2 329.448 2.135 20 30 EEEDLO COc1cc2nc(NCCc3cccc(C#N)c3)[nH+]c(N)c2cc1OC ZINC000359945302 465509321 /nfs/dbraw/zinc/50/93/21/465509321.db2.gz DZDGJDJTTRTPDE-UHFFFAOYSA-N 1 2 349.394 2.177 20 30 EEEDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)cc1OC ZINC000352458393 465530053 /nfs/dbraw/zinc/53/00/53/465530053.db2.gz JZBZEWLDBZHIBZ-LBPRGKRZSA-N 1 2 335.379 2.358 20 30 EEEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1[nH+]ccn1C ZINC000352744683 465552090 /nfs/dbraw/zinc/55/20/90/465552090.db2.gz PYKXHLFYWOKNBT-UHFFFAOYSA-N 1 2 330.436 2.485 20 30 EEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348332966 465554934 /nfs/dbraw/zinc/55/49/34/465554934.db2.gz XDZSSEBUOPTRAE-SUMWQHHRSA-N 1 2 346.862 2.189 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348333411 465555774 /nfs/dbraw/zinc/55/57/74/465555774.db2.gz YTTXDQLAWPABIE-PBHICJAKSA-N 1 2 346.862 2.213 20 30 EEEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1CCCOC1)CC2 ZINC000330217837 465573299 /nfs/dbraw/zinc/57/32/99/465573299.db2.gz OCYXGJZLFWDCMD-OAHLLOKOSA-N 1 2 334.416 2.197 20 30 EEEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1CCCOC1)CC2 ZINC000330217837 465573302 /nfs/dbraw/zinc/57/33/02/465573302.db2.gz OCYXGJZLFWDCMD-OAHLLOKOSA-N 1 2 334.416 2.197 20 30 EEEDLO O=C(N[C@H]1CCOC2(CCOCC2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330229255 465577647 /nfs/dbraw/zinc/57/76/47/465577647.db2.gz PZNFYCRWSYRFNE-HNNXBMFYSA-N 1 2 348.447 2.231 20 30 EEEDLO O=C(N[C@H]1CCOC2(CCOCC2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330229255 465577651 /nfs/dbraw/zinc/57/76/51/465577651.db2.gz PZNFYCRWSYRFNE-HNNXBMFYSA-N 1 2 348.447 2.231 20 30 EEEDLO CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330265922 465591291 /nfs/dbraw/zinc/59/12/91/465591291.db2.gz ZXTGCKZKPNOMMF-VXGBXAGGSA-N 1 2 336.461 2.102 20 30 EEEDLO Cc1ncc(CNC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)s1 ZINC000330335231 465619146 /nfs/dbraw/zinc/61/91/46/465619146.db2.gz RJSKXWSOASPUBR-RISCZKNCSA-N 1 2 335.433 2.109 20 30 EEEDLO CCN1CCN(C(=O)Nc2cc(OC)ccc2F)C[C@H]1c1[nH]cc[nH+]1 ZINC000330339544 465620089 /nfs/dbraw/zinc/62/00/89/465620089.db2.gz WTSXYIURAIIKMH-HNNXBMFYSA-N 1 2 347.394 2.482 20 30 EEEDLO C[C@H](CNC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC000330416239 465650271 /nfs/dbraw/zinc/65/02/71/465650271.db2.gz UXNPEBFGGLQFPC-JHJVBQTASA-N 1 2 337.386 2.332 20 30 EEEDLO Cc1nn(C)c(N2CC[NH+](Cc3cccc(O)c3Cl)CC2)c1C#N ZINC000353147961 465672297 /nfs/dbraw/zinc/67/22/97/465672297.db2.gz PHWADVNPSOBFGD-UHFFFAOYSA-N 1 2 345.834 2.281 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000299309858 465692210 /nfs/dbraw/zinc/69/22/10/465692210.db2.gz JGIKEKWQFPUXDH-UHFFFAOYSA-N 1 2 327.340 2.122 20 30 EEEDLO C[C@@H]1C[C@H](NC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)CCO1 ZINC000330622483 465735485 /nfs/dbraw/zinc/73/54/85/465735485.db2.gz NYBNHIFEKUEOIO-GHMZBOCLSA-N 1 2 334.342 2.359 20 30 EEEDLO COc1ccc(F)c(N2CC[NH+](Cc3ccc(C#N)cn3)CC2)c1 ZINC000593974958 468450090 /nfs/dbraw/zinc/45/00/90/468450090.db2.gz ZTOJANAITXYVJY-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000357158418 465819064 /nfs/dbraw/zinc/81/90/64/465819064.db2.gz HEOGILOUMXULBA-AEFFLSMTSA-N 1 2 329.444 2.253 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)CCCCC1 ZINC000340202437 465872442 /nfs/dbraw/zinc/87/24/42/465872442.db2.gz VRHSQGWHANKIID-OCCSQVGLSA-N 1 2 347.381 2.107 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)CCCCC1 ZINC000340202437 465872451 /nfs/dbraw/zinc/87/24/51/465872451.db2.gz VRHSQGWHANKIID-OCCSQVGLSA-N 1 2 347.381 2.107 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000361375730 465945783 /nfs/dbraw/zinc/94/57/83/465945783.db2.gz DOHLYXNAKQABIU-FUHWJXTLSA-N 1 2 338.411 2.385 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000361375730 465945788 /nfs/dbraw/zinc/94/57/88/465945788.db2.gz DOHLYXNAKQABIU-FUHWJXTLSA-N 1 2 338.411 2.385 20 30 EEEDLO N#CC1(CCC[N@H+]2CCNC(=O)[C@@H]2c2cccs2)CCOCC1 ZINC000366891895 466000352 /nfs/dbraw/zinc/00/03/52/466000352.db2.gz HEEOMXMZMTVRGD-HNNXBMFYSA-N 1 2 333.457 2.322 20 30 EEEDLO N#CC1(CCC[N@@H+]2CCNC(=O)[C@@H]2c2cccs2)CCOCC1 ZINC000366891895 466000356 /nfs/dbraw/zinc/00/03/56/466000356.db2.gz HEEOMXMZMTVRGD-HNNXBMFYSA-N 1 2 333.457 2.322 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@H+](CCC(=O)N3CCCCC3)CCO2)c1 ZINC000331473777 466100593 /nfs/dbraw/zinc/10/05/93/466100593.db2.gz FQHJCKYQXYNJNR-SFHVURJKSA-N 1 2 327.428 2.334 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCC(=O)N3CCCCC3)CCO2)c1 ZINC000331473777 466100597 /nfs/dbraw/zinc/10/05/97/466100597.db2.gz FQHJCKYQXYNJNR-SFHVURJKSA-N 1 2 327.428 2.334 20 30 EEEDLO C=CCc1cc(C[NH+]2CCN(Cc3ncc[nH]3)CC2)cc(OC)c1O ZINC000353923879 466259854 /nfs/dbraw/zinc/25/98/54/466259854.db2.gz QIJGPJGAOJJMSX-UHFFFAOYSA-N 1 2 342.443 2.170 20 30 EEEDLO COc1ccc(F)cc1C[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000555669692 468488853 /nfs/dbraw/zinc/48/88/53/468488853.db2.gz KGRNOCHXGNSDCA-UHFFFAOYSA-N 1 2 340.402 2.419 20 30 EEEDLO COc1ccc(F)cc1CN1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000555669692 468488857 /nfs/dbraw/zinc/48/88/57/468488857.db2.gz KGRNOCHXGNSDCA-UHFFFAOYSA-N 1 2 340.402 2.419 20 30 EEEDLO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000338845217 466422073 /nfs/dbraw/zinc/42/20/73/466422073.db2.gz FIPXJIRRDZXACA-CVEARBPZSA-N 1 2 333.480 2.279 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000305756786 466450775 /nfs/dbraw/zinc/45/07/75/466450775.db2.gz BEZYJMFZRXGIES-UFBFGSQYSA-N 1 2 349.740 2.394 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000305756786 466450784 /nfs/dbraw/zinc/45/07/84/466450784.db2.gz BEZYJMFZRXGIES-UFBFGSQYSA-N 1 2 349.740 2.394 20 30 EEEDLO C#CCOc1ccccc1C[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000367704631 466504967 /nfs/dbraw/zinc/50/49/67/466504967.db2.gz PGSGWYWFEZYIOM-MRXNPFEDSA-N 1 2 327.405 2.317 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1Cl ZINC000372742367 466567119 /nfs/dbraw/zinc/56/71/19/466567119.db2.gz QJKBEAHLOUHNEG-ZDUSSCGKSA-N 1 2 344.864 2.158 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1Cl ZINC000372742367 466567127 /nfs/dbraw/zinc/56/71/27/466567127.db2.gz QJKBEAHLOUHNEG-ZDUSSCGKSA-N 1 2 344.864 2.158 20 30 EEEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000368468224 466644814 /nfs/dbraw/zinc/64/48/14/466644814.db2.gz URWCBHVZFDNRKU-SFHVURJKSA-N 1 2 335.407 2.240 20 30 EEEDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)cc1OC ZINC000368468224 466644817 /nfs/dbraw/zinc/64/48/17/466644817.db2.gz URWCBHVZFDNRKU-SFHVURJKSA-N 1 2 335.407 2.240 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2CCC[C@]2(C(=O)OC)C1 ZINC000374714727 466722580 /nfs/dbraw/zinc/72/25/80/466722580.db2.gz MKAAGHFQUFBBLL-BXWFABGCSA-N 1 2 342.395 2.047 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2CCC[C@]2(C(=O)OC)C1 ZINC000374714727 466722584 /nfs/dbraw/zinc/72/25/84/466722584.db2.gz MKAAGHFQUFBBLL-BXWFABGCSA-N 1 2 342.395 2.047 20 30 EEEDLO C[C@@H]1CN(S(=O)(=O)CC(C)(C)CC#N)CC[N@@H+]1Cc1ccccc1 ZINC000416587278 466742375 /nfs/dbraw/zinc/74/23/75/466742375.db2.gz HDJFIBKYQRYREB-MRXNPFEDSA-N 1 2 349.500 2.462 20 30 EEEDLO C[C@@H]1CN(S(=O)(=O)CC(C)(C)CC#N)CC[N@H+]1Cc1ccccc1 ZINC000416587278 466742379 /nfs/dbraw/zinc/74/23/79/466742379.db2.gz HDJFIBKYQRYREB-MRXNPFEDSA-N 1 2 349.500 2.462 20 30 EEEDLO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000411169520 466776688 /nfs/dbraw/zinc/77/66/88/466776688.db2.gz TYQZWLDJTBQHHR-CYBMUJFWSA-N 1 2 339.447 2.365 20 30 EEEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000411169520 466776693 /nfs/dbraw/zinc/77/66/93/466776693.db2.gz TYQZWLDJTBQHHR-CYBMUJFWSA-N 1 2 339.447 2.365 20 30 EEEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411326129 466807715 /nfs/dbraw/zinc/80/77/15/466807715.db2.gz HMFAXYQQPGVHAZ-GOSISDBHSA-N 1 2 346.519 2.479 20 30 EEEDLO CC(C)CCNC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376597255 466921074 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EEEDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000610786692 469071979 /nfs/dbraw/zinc/07/19/79/469071979.db2.gz YEZLWECDDIXAFS-QGZVFWFLSA-N 1 2 346.427 2.370 20 30 EEEDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000610786692 469071987 /nfs/dbraw/zinc/07/19/87/469071987.db2.gz YEZLWECDDIXAFS-QGZVFWFLSA-N 1 2 346.427 2.370 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC[NH+]1CCN(C(=O)[C@](C)(C=C)CC)CC1 ZINC000614908834 469092016 /nfs/dbraw/zinc/09/20/16/469092016.db2.gz IVORGBWADAHFDU-VQTJNVASSA-N 1 2 349.519 2.451 20 30 EEEDLO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@@H](C)CC#N)CCCC2 ZINC000602868688 469129873 /nfs/dbraw/zinc/12/98/73/469129873.db2.gz KTZJQCOBVMXONX-JTQLQIEISA-N 1 2 335.429 2.244 20 30 EEEDLO CC[C@@H]1CN(c2cc(C)[nH+]c(N3CCO[C@@H](CC)C3)c2C#N)CCO1 ZINC000589102759 469194501 /nfs/dbraw/zinc/19/45/01/469194501.db2.gz CGFPGIXAWHLIOX-CVEARBPZSA-N 1 2 344.459 2.492 20 30 EEEDLO Cc1ncc([C@H](C)[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c(C)n1 ZINC000602488413 469338086 /nfs/dbraw/zinc/33/80/86/469338086.db2.gz XGJOZRUOBMGDCP-JSGCOSHPSA-N 1 2 337.431 2.027 20 30 EEEDLO Cc1ncc([C@H](C)[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c(C)n1 ZINC000602488413 469338091 /nfs/dbraw/zinc/33/80/91/469338091.db2.gz XGJOZRUOBMGDCP-JSGCOSHPSA-N 1 2 337.431 2.027 20 30 EEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1c(C#N)cnn1-c1ccccc1 ZINC000603407579 469383156 /nfs/dbraw/zinc/38/31/56/469383156.db2.gz GRZYCWZNXVQADH-CABCVRRESA-N 1 2 325.416 2.265 20 30 EEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1c(C#N)cnn1-c1ccccc1 ZINC000603407579 469383162 /nfs/dbraw/zinc/38/31/62/469383162.db2.gz GRZYCWZNXVQADH-CABCVRRESA-N 1 2 325.416 2.265 20 30 EEEDLO CC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOCC1 ZINC000608852679 469883310 /nfs/dbraw/zinc/88/33/10/469883310.db2.gz XDAVKRKZRHWYQJ-UHFFFAOYSA-N 1 2 327.428 2.019 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000609486720 469932737 /nfs/dbraw/zinc/93/27/37/469932737.db2.gz PUFOUIFVKZBFEY-QFBILLFUSA-N 1 2 340.471 2.130 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000609486512 469932770 /nfs/dbraw/zinc/93/27/70/469932770.db2.gz LMOBEQARTZZWRH-MOPGFXCFSA-N 1 2 340.471 2.172 20 30 EEEDLO N#Cc1ccc([C@@H]([NH2+][C@@H](Cn2cccn2)c2ccccc2)C(N)=O)cc1 ZINC000610162515 469984895 /nfs/dbraw/zinc/98/48/95/469984895.db2.gz HRIOWANDSHLGHJ-RBUKOAKNSA-N 1 2 345.406 2.312 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@@H](CC)CS(=O)(=O)c2ccccc2)nn1 ZINC000657415132 471130119 /nfs/dbraw/zinc/13/01/19/471130119.db2.gz HRPIBEWTIWCTRS-HNNXBMFYSA-N 1 2 348.472 2.196 20 30 EEEDLO C=CCCn1cc(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)nn1 ZINC000656768364 471836015 /nfs/dbraw/zinc/83/60/15/471836015.db2.gz JOIVEZOROHKRBB-GASCZTMLSA-N 1 2 342.447 2.475 20 30 EEEDLO C=CCCn1cc(CNc2ccc(N3CCC(CO)CC3)c[nH+]2)nn1 ZINC000656770220 471837297 /nfs/dbraw/zinc/83/72/97/471837297.db2.gz SYPXYELPNSXHPZ-UHFFFAOYSA-N 1 2 342.447 2.070 20 30 EEEDLO C=C[C@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccccc2OC)n1 ZINC000662165997 472017623 /nfs/dbraw/zinc/01/76/23/472017623.db2.gz RGARYYBHTPUPEJ-CYBMUJFWSA-N 1 2 347.440 2.473 20 30 EEEDLO C=C(C)COCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000532396139 485543983 /nfs/dbraw/zinc/54/39/83/485543983.db2.gz SMSPHYAGFSOXGF-INIZCTEOSA-N 1 2 328.416 2.401 20 30 EEEDLO C=CCN(C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000678525757 486641966 /nfs/dbraw/zinc/64/19/66/486641966.db2.gz QACKFMFLXXKXTF-UHFFFAOYSA-N 1 2 342.443 2.257 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(C)o2)[C@@H]1CC ZINC001087729691 782143075 /nfs/dbraw/zinc/14/30/75/782143075.db2.gz QZYVLLBZMJKOOV-QXSJWSMHSA-N 1 2 333.432 2.043 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)o2)[C@@H]1CC ZINC001087729691 782143081 /nfs/dbraw/zinc/14/30/81/782143081.db2.gz QZYVLLBZMJKOOV-QXSJWSMHSA-N 1 2 333.432 2.043 20 30 EEEDLO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1ccc(F)cc1C#N ZINC000495372125 534886106 /nfs/dbraw/zinc/88/61/06/534886106.db2.gz ODGBHTQEGKTTIY-UHFFFAOYSA-N 1 2 337.395 2.016 20 30 EEEDLO CC(C)(C)OC(=O)NCC[N@@H+](CCO)Cc1ccc(F)cc1C#N ZINC000495372125 534886109 /nfs/dbraw/zinc/88/61/09/534886109.db2.gz ODGBHTQEGKTTIY-UHFFFAOYSA-N 1 2 337.395 2.016 20 30 EEEDLO CC(C)(C)C(=O)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000130558127 527577172 /nfs/dbraw/zinc/57/71/72/527577172.db2.gz AYWURWRRGBVBCM-UHFFFAOYSA-N 1 2 348.472 2.139 20 30 EEEDLO C=CC[N@H+](CC(=O)NCc1cccnc1)Cc1ccc(OC)cc1 ZINC000109832238 527581606 /nfs/dbraw/zinc/58/16/06/527581606.db2.gz NCOSBQWAPYYVHU-UHFFFAOYSA-N 1 2 325.412 2.395 20 30 EEEDLO C=CC[N@@H+](CC(=O)NCc1cccnc1)Cc1ccc(OC)cc1 ZINC000109832238 527581611 /nfs/dbraw/zinc/58/16/11/527581611.db2.gz NCOSBQWAPYYVHU-UHFFFAOYSA-N 1 2 325.412 2.395 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001034536464 1196356298 /nfs/dbraw/zinc/35/62/98/1196356298.db2.gz BMMZHHGXKGTCES-CQSZACIVSA-N 1 2 340.265 2.437 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001034536464 1196356294 /nfs/dbraw/zinc/35/62/94/1196356294.db2.gz BMMZHHGXKGTCES-CQSZACIVSA-N 1 2 340.265 2.437 20 30 EEEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)COc1ccc(C#N)cc1 ZINC000727497200 576431786 /nfs/dbraw/zinc/43/17/86/576431786.db2.gz XSYFSRXCGFMVDT-MRXNPFEDSA-N 1 2 326.400 2.365 20 30 EEEDLO CCc1cc(NCCNc2ccc(C#N)cn2)nc(-c2ccncc2)[nH+]1 ZINC000731663125 577114639 /nfs/dbraw/zinc/11/46/39/577114639.db2.gz QKCJBPDNMJKWNN-UHFFFAOYSA-N 1 2 345.410 2.314 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2oc(C(=O)OC)cc2c1 ZINC000732057555 577145770 /nfs/dbraw/zinc/14/57/70/577145770.db2.gz IUQGIJHKTNIQIA-AWEZNQCLSA-N 1 2 326.352 2.256 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2oc(C(=O)OC)cc2c1 ZINC000732057555 577145772 /nfs/dbraw/zinc/14/57/72/577145772.db2.gz IUQGIJHKTNIQIA-AWEZNQCLSA-N 1 2 326.352 2.256 20 30 EEEDLO NS(=O)(=O)c1ccc(N[NH+]=C2CCCNc3ccccc32)cc1 ZINC000774302176 577394459 /nfs/dbraw/zinc/39/44/59/577394459.db2.gz QPWYFPZWQVIUKC-UHFFFAOYSA-N 1 2 330.413 2.356 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2n[nH]c(C)n2)c(Cl)c1 ZINC000775942148 577449433 /nfs/dbraw/zinc/44/94/33/577449433.db2.gz OKEMLKHZRRBVGE-HNNXBMFYSA-N 1 2 343.818 2.470 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2n[nH]c(C)n2)c(Cl)c1 ZINC000775942148 577449434 /nfs/dbraw/zinc/44/94/34/577449434.db2.gz OKEMLKHZRRBVGE-HNNXBMFYSA-N 1 2 343.818 2.470 20 30 EEEDLO CCOC(=O)N1CCC([C@@H](C)/[NH+]=C/c2ccc(O)c(O)c2O)CC1 ZINC000777401780 577478157 /nfs/dbraw/zinc/47/81/57/577478157.db2.gz QZGGVGHEUPMHPA-VDCVXVNISA-N 1 2 336.388 2.479 20 30 EEEDLO C[S@](=O)CC[NH+]1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000771142931 577610470 /nfs/dbraw/zinc/61/04/70/577610470.db2.gz BTZAZIPLHITUQW-QHCPKHFHSA-N 1 2 345.390 2.078 20 30 EEEDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cn1cccc(C#N)c1=O ZINC000758200167 577618329 /nfs/dbraw/zinc/61/83/29/577618329.db2.gz XMQVWWFGAHICQF-UHFFFAOYSA-N 1 2 326.356 2.496 20 30 EEEDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cn1cccc(C#N)c1=O ZINC000758200167 577618330 /nfs/dbraw/zinc/61/83/30/577618330.db2.gz XMQVWWFGAHICQF-UHFFFAOYSA-N 1 2 326.356 2.496 20 30 EEEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccc(-n2ccnc2)nn1 ZINC000761836085 577689825 /nfs/dbraw/zinc/68/98/25/577689825.db2.gz NFSORRIFBDWZDB-UHFFFAOYSA-N 1 2 333.399 2.466 20 30 EEEDLO Cc1ccccc1CC(N)=[NH+]OCC(=O)NCc1ccc(C#N)cc1 ZINC000751127022 577748412 /nfs/dbraw/zinc/74/84/12/577748412.db2.gz RZWOQKKXZOEVOB-UHFFFAOYSA-N 1 2 336.395 2.224 20 30 EEEDLO CN1CCc2cc(C=[NH+]N3C(=S)N=NC3[C@@H]3CCCO3)ccc21 ZINC000752721739 577775034 /nfs/dbraw/zinc/77/50/34/577775034.db2.gz YAXCCXRTHPOJFR-AWEZNQCLSA-N 1 2 329.429 2.293 20 30 EEEDLO CN1CCc2cc(C=[NH+]N3C(=S)N=NC3[C@H]3CCCO3)ccc21 ZINC000752721742 577775076 /nfs/dbraw/zinc/77/50/76/577775076.db2.gz YAXCCXRTHPOJFR-CQSZACIVSA-N 1 2 329.429 2.293 20 30 EEEDLO CC(C)CN(CCC#N)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000755669938 577828905 /nfs/dbraw/zinc/82/89/05/577828905.db2.gz MLCFHJQGWYVUPN-UHFFFAOYSA-N 1 2 348.516 2.264 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2C2OCCO2)c1C#N ZINC000756509778 577845387 /nfs/dbraw/zinc/84/53/87/577845387.db2.gz QFTYSXZXDIKESJ-INIZCTEOSA-N 1 2 330.384 2.072 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2CCCC[C@H]2C2OCCO2)c1C#N ZINC000756509778 577845388 /nfs/dbraw/zinc/84/53/88/577845388.db2.gz QFTYSXZXDIKESJ-INIZCTEOSA-N 1 2 330.384 2.072 20 30 EEEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CCO[C@@H]([C@@H]4CCCO4)C3)n2)cc1 ZINC000756858962 577851735 /nfs/dbraw/zinc/85/17/35/577851735.db2.gz XABVHXFORBOZHO-RBUKOAKNSA-N 1 2 338.411 2.259 20 30 EEEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CCO[C@@H]([C@@H]4CCCO4)C3)n2)cc1 ZINC000756858962 577851736 /nfs/dbraw/zinc/85/17/36/577851736.db2.gz XABVHXFORBOZHO-RBUKOAKNSA-N 1 2 338.411 2.259 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2c(C)onc2-c2ccc(F)cc2)CC1 ZINC000744419010 577897471 /nfs/dbraw/zinc/89/74/71/577897471.db2.gz FGKSIMGZWGFSEG-UHFFFAOYSA-N 1 2 327.359 2.180 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)Cc2sc(C)nc2-c2cccs2)CC1 ZINC000744422493 577897528 /nfs/dbraw/zinc/89/75/28/577897528.db2.gz YGGGXBIAQDWRJN-UHFFFAOYSA-N 1 2 345.493 2.500 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000746359232 577926562 /nfs/dbraw/zinc/92/65/62/577926562.db2.gz KFEBVYAGFJNVEU-JTQLQIEISA-N 1 2 331.363 2.218 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000746359232 577926563 /nfs/dbraw/zinc/92/65/63/577926563.db2.gz KFEBVYAGFJNVEU-JTQLQIEISA-N 1 2 331.363 2.218 20 30 EEEDLO C[N@H+](CC(F)F)C1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000749845183 577982801 /nfs/dbraw/zinc/98/28/01/577982801.db2.gz QBOOGCBJQLVCCW-UHFFFAOYSA-N 1 2 342.415 2.220 20 30 EEEDLO C[N@@H+](CC(F)F)C1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000749845183 577982802 /nfs/dbraw/zinc/98/28/02/577982802.db2.gz QBOOGCBJQLVCCW-UHFFFAOYSA-N 1 2 342.415 2.220 20 30 EEEDLO C[C@@H](NC(=O)c1cccn1C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969319522 674835887 /nfs/dbraw/zinc/83/58/87/674835887.db2.gz FCLLUBVRPQHXQQ-CYBMUJFWSA-N 1 2 340.402 2.286 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ncc(C)s2)C1 ZINC000969693944 675169476 /nfs/dbraw/zinc/16/94/76/675169476.db2.gz YUFRLHNBOIIFGZ-IMJJTQAJSA-N 1 2 349.500 2.369 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2nc(C)ncc2Cl)C1 ZINC000970523186 675959879 /nfs/dbraw/zinc/95/98/79/675959879.db2.gz KFCVJFIFRXVRPF-SECBINFHSA-N 1 2 329.231 2.241 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2Cc3c(cccc3C)O2)C1 ZINC000970752160 676126052 /nfs/dbraw/zinc/12/60/52/676126052.db2.gz NSKLQWSPXTUOLC-SUMWQHHRSA-N 1 2 334.847 2.488 20 30 EEEDLO C=C[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1)c1ccccc1 ZINC000970777735 676145933 /nfs/dbraw/zinc/14/59/33/676145933.db2.gz VDGUTTJCQSWVHE-CABCVRRESA-N 1 2 328.441 2.198 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(C)C ZINC001026127667 683877859 /nfs/dbraw/zinc/87/78/59/683877859.db2.gz FXCIHVHJZXJZCD-POQQGIQPSA-N 1 2 327.266 2.234 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(C)C ZINC001026127667 683877861 /nfs/dbraw/zinc/87/78/61/683877861.db2.gz FXCIHVHJZXJZCD-POQQGIQPSA-N 1 2 327.266 2.234 20 30 EEEDLO C[C@H](NC(=O)c1ccsn1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969932102 675319892 /nfs/dbraw/zinc/31/98/92/675319892.db2.gz ONTVJPPYTYPCPV-NSHDSACASA-N 1 2 344.415 2.404 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2=CCOCC2)C[C@H]1C ZINC000947234735 675331333 /nfs/dbraw/zinc/33/13/33/675331333.db2.gz AOXSCLFBHCHXEI-OCCSQVGLSA-N 1 2 343.265 2.211 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2=CCOCC2)C[C@H]1C ZINC000947234735 675331335 /nfs/dbraw/zinc/33/13/35/675331335.db2.gz AOXSCLFBHCHXEI-OCCSQVGLSA-N 1 2 343.265 2.211 20 30 EEEDLO C=CC(C)(C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000891261255 676260792 /nfs/dbraw/zinc/26/07/92/676260792.db2.gz CEYSJWPIMXLPJY-HNNXBMFYSA-N 1 2 332.448 2.098 20 30 EEEDLO C=CC(C)(C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000891261255 676260793 /nfs/dbraw/zinc/26/07/93/676260793.db2.gz CEYSJWPIMXLPJY-HNNXBMFYSA-N 1 2 332.448 2.098 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(C(F)(F)F)CCCC3)C2)C1 ZINC000972699318 679661416 /nfs/dbraw/zinc/66/14/16/679661416.db2.gz CJIRIENCQWRLOK-HNNXBMFYSA-N 1 2 344.377 2.046 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(C(F)(F)F)CCCC3)C2)C1 ZINC000972699318 679661417 /nfs/dbraw/zinc/66/14/17/679661417.db2.gz CJIRIENCQWRLOK-HNNXBMFYSA-N 1 2 344.377 2.046 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001067501749 676378346 /nfs/dbraw/zinc/37/83/46/676378346.db2.gz PTKHHYIACXFFCD-UHFFFAOYSA-N 1 2 334.464 2.182 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2noc3c2CC(C)(C)CC3)C1 ZINC000971212432 676443625 /nfs/dbraw/zinc/44/36/25/676443625.db2.gz YWBRSHCBOJYVJB-UONOGXRCSA-N 1 2 344.459 2.382 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2noc3c2CC(C)(C)CC3)C1 ZINC000971212432 676443627 /nfs/dbraw/zinc/44/36/27/676443627.db2.gz YWBRSHCBOJYVJB-UONOGXRCSA-N 1 2 344.459 2.382 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C3CCCC3)n2)C1 ZINC000971219120 676446098 /nfs/dbraw/zinc/44/60/98/676446098.db2.gz WQQSNHCGOJRJDR-WMLDXEAASA-N 1 2 329.448 2.191 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C3CCCC3)n2)C1 ZINC000971219120 676446099 /nfs/dbraw/zinc/44/60/99/676446099.db2.gz WQQSNHCGOJRJDR-WMLDXEAASA-N 1 2 329.448 2.191 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+](C)[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC000971364509 676503888 /nfs/dbraw/zinc/50/38/88/676503888.db2.gz ZSEJBHKULSZYHK-OCCSQVGLSA-N 1 2 327.388 2.090 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+](C)[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC000971364509 676503891 /nfs/dbraw/zinc/50/38/91/676503891.db2.gz ZSEJBHKULSZYHK-OCCSQVGLSA-N 1 2 327.388 2.090 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(=O)C(F)F)C(C)(C)C1 ZINC000972711374 679708878 /nfs/dbraw/zinc/70/88/78/679708878.db2.gz FHRJOZNGXDHZGN-CQSZACIVSA-N 1 2 337.370 2.159 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(=O)C(F)F)C(C)(C)C1 ZINC000972711374 679708880 /nfs/dbraw/zinc/70/88/80/679708880.db2.gz FHRJOZNGXDHZGN-CQSZACIVSA-N 1 2 337.370 2.159 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2conc2CC)C1 ZINC000972263591 678465689 /nfs/dbraw/zinc/46/56/89/678465689.db2.gz VIKVCWZIEDJGRW-NSHDSACASA-N 1 2 342.237 2.292 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2conc2CC)C1 ZINC000972263591 678465692 /nfs/dbraw/zinc/46/56/92/678465692.db2.gz VIKVCWZIEDJGRW-NSHDSACASA-N 1 2 342.237 2.292 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC000972375844 678623323 /nfs/dbraw/zinc/62/33/23/678623323.db2.gz PQIVMSIKHPDBQG-BBWFWOEESA-N 1 2 345.443 2.176 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC000972375844 678623325 /nfs/dbraw/zinc/62/33/25/678623325.db2.gz PQIVMSIKHPDBQG-BBWFWOEESA-N 1 2 345.443 2.176 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4ccncc4s3)C2)C1 ZINC000972408073 678697031 /nfs/dbraw/zinc/69/70/31/678697031.db2.gz INSQMGAOKQMIKP-SFHVURJKSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4ccncc4s3)C2)C1 ZINC000972408073 678697033 /nfs/dbraw/zinc/69/70/33/678697033.db2.gz INSQMGAOKQMIKP-SFHVURJKSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)noc3C(C)C)C2)C1 ZINC000972422613 678716278 /nfs/dbraw/zinc/71/62/78/678716278.db2.gz PVZJLFFUXZSZPC-GOSISDBHSA-N 1 2 333.432 2.209 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)noc3C(C)C)C2)C1 ZINC000972422613 678716281 /nfs/dbraw/zinc/71/62/81/678716281.db2.gz PVZJLFFUXZSZPC-GOSISDBHSA-N 1 2 333.432 2.209 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c4ccccc34)C2)C1 ZINC000972455756 678779827 /nfs/dbraw/zinc/77/98/27/678779827.db2.gz IWZQIMUVWHYEMD-FQEVSTJZSA-N 1 2 337.423 2.108 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c4ccccc34)C2)C1 ZINC000972455756 678779829 /nfs/dbraw/zinc/77/98/29/678779829.db2.gz IWZQIMUVWHYEMD-FQEVSTJZSA-N 1 2 337.423 2.108 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)C[N@H+](CCC(F)(F)F)CCO2 ZINC000972499770 679082093 /nfs/dbraw/zinc/08/20/93/679082093.db2.gz XVHJKIIQWZMIBC-HNNXBMFYSA-N 1 2 334.382 2.454 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)C[N@@H+](CCC(F)(F)F)CCO2 ZINC000972499770 679082096 /nfs/dbraw/zinc/08/20/96/679082096.db2.gz XVHJKIIQWZMIBC-HNNXBMFYSA-N 1 2 334.382 2.454 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(C(C)C)c3C)C2)C1 ZINC000972515211 679133329 /nfs/dbraw/zinc/13/33/29/679133329.db2.gz TVZJSAQACUYZHF-IBGZPJMESA-N 1 2 331.460 2.480 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(C(C)C)c3C)C2)C1 ZINC000972515211 679133330 /nfs/dbraw/zinc/13/33/30/679133330.db2.gz TVZJSAQACUYZHF-IBGZPJMESA-N 1 2 331.460 2.480 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C)c(F)c3F)C2)C1 ZINC000972563408 679298586 /nfs/dbraw/zinc/29/85/86/679298586.db2.gz TXLZHPXYAHLBPG-GOSISDBHSA-N 1 2 336.382 2.376 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C)c(F)c3F)C2)C1 ZINC000972563408 679298587 /nfs/dbraw/zinc/29/85/87/679298587.db2.gz TXLZHPXYAHLBPG-GOSISDBHSA-N 1 2 336.382 2.376 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Cc3cccs3)C2)C1 ZINC000972572330 679328094 /nfs/dbraw/zinc/32/80/94/679328094.db2.gz HIBQRELXUPFDHJ-APWZRJJASA-N 1 2 346.496 2.253 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Cc3cccs3)C2)C1 ZINC000972572330 679328097 /nfs/dbraw/zinc/32/80/97/679328097.db2.gz HIBQRELXUPFDHJ-APWZRJJASA-N 1 2 346.496 2.253 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3nnc(C)o3)C2)cc1 ZINC001023526916 679358622 /nfs/dbraw/zinc/35/86/22/679358622.db2.gz LWSAUWWRPNRARA-INIZCTEOSA-N 1 2 338.411 2.001 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3nnc(C)o3)C2)cc1 ZINC001023526916 679358623 /nfs/dbraw/zinc/35/86/23/679358623.db2.gz LWSAUWWRPNRARA-INIZCTEOSA-N 1 2 338.411 2.001 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccc(CC)cc3)C2)C1 ZINC000972599725 679403499 /nfs/dbraw/zinc/40/34/99/679403499.db2.gz XZPMGTCGRZGAGS-UWJYYQICSA-N 1 2 340.467 2.289 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccc(CC)cc3)C2)C1 ZINC000972599725 679403501 /nfs/dbraw/zinc/40/35/01/679403501.db2.gz XZPMGTCGRZGAGS-UWJYYQICSA-N 1 2 340.467 2.289 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(CCCC)nc3C)C2)C1 ZINC000972633134 679467933 /nfs/dbraw/zinc/46/79/33/679467933.db2.gz XIFUKGIAFUQOGY-LJQANCHMSA-N 1 2 346.475 2.095 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(CCCC)nc3C)C2)C1 ZINC000972633134 679467934 /nfs/dbraw/zinc/46/79/34/679467934.db2.gz XIFUKGIAFUQOGY-LJQANCHMSA-N 1 2 346.475 2.095 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H](CNC(=O)c2nocc2C)C1 ZINC001023691087 679481667 /nfs/dbraw/zinc/48/16/67/679481667.db2.gz DXSHJZCDTCRLBF-LBPRGKRZSA-N 1 2 342.237 2.333 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H](CNC(=O)c2nocc2C)C1 ZINC001023691087 679481669 /nfs/dbraw/zinc/48/16/69/679481669.db2.gz DXSHJZCDTCRLBF-LBPRGKRZSA-N 1 2 342.237 2.333 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Cc3cccc(F)c3)C2)C1 ZINC000972693296 679615618 /nfs/dbraw/zinc/61/56/18/679615618.db2.gz YFYIKOSRZGGWEP-OXJNMPFZSA-N 1 2 346.446 2.494 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Cc3cccc(F)c3)C2)C1 ZINC000972693296 679615619 /nfs/dbraw/zinc/61/56/19/679615619.db2.gz YFYIKOSRZGGWEP-OXJNMPFZSA-N 1 2 346.446 2.494 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)[C@H](C)c3ncc(C)o3)C2)cn1 ZINC000972757244 679750352 /nfs/dbraw/zinc/75/03/52/679750352.db2.gz WZBKMGCHMSSWBQ-RHSMWYFYSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@H](C)c3ncc(C)o3)C2)cn1 ZINC000972757244 679750353 /nfs/dbraw/zinc/75/03/53/679750353.db2.gz WZBKMGCHMSSWBQ-RHSMWYFYSA-N 1 2 338.411 2.267 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2cocn2)c(F)c1 ZINC001024362986 679879653 /nfs/dbraw/zinc/87/96/53/679879653.db2.gz SURKGFDRRDCCTG-HNNXBMFYSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2cocn2)c(F)c1 ZINC001024362986 679879654 /nfs/dbraw/zinc/87/96/54/679879654.db2.gz SURKGFDRRDCCTG-HNNXBMFYSA-N 1 2 342.374 2.470 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001024514495 680014995 /nfs/dbraw/zinc/01/49/95/680014995.db2.gz ZRIRLQPVWJCHGQ-HUUCEWRRSA-N 1 2 336.867 2.169 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001024514495 680015003 /nfs/dbraw/zinc/01/50/03/680015003.db2.gz ZRIRLQPVWJCHGQ-HUUCEWRRSA-N 1 2 336.867 2.169 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001024517224 680023238 /nfs/dbraw/zinc/02/32/38/680023238.db2.gz RNLMCEDSUHZERR-HUUCEWRRSA-N 1 2 336.867 2.169 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001024517224 680023242 /nfs/dbraw/zinc/02/32/42/680023242.db2.gz RNLMCEDSUHZERR-HUUCEWRRSA-N 1 2 336.867 2.169 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001058582951 680038378 /nfs/dbraw/zinc/03/83/78/680038378.db2.gz WKNUWUFZQXTYKM-MRXNPFEDSA-N 1 2 339.443 2.398 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccns2)c1 ZINC001024644439 681312793 /nfs/dbraw/zinc/31/27/93/681312793.db2.gz QIWPMUPQFJXPSO-INIZCTEOSA-N 1 2 340.452 2.304 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccns2)c1 ZINC001024644439 681312798 /nfs/dbraw/zinc/31/27/98/681312798.db2.gz QIWPMUPQFJXPSO-INIZCTEOSA-N 1 2 340.452 2.304 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@]2(C)C[N@H+](Cc3cnon3)C[C@]2(C)C1 ZINC000982521154 681458602 /nfs/dbraw/zinc/45/86/02/681458602.db2.gz CQNOLKAHIIFFLZ-KURKYZTESA-N 1 2 332.448 2.342 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@]2(C)C[N@@H+](Cc3cnon3)C[C@]2(C)C1 ZINC000982521154 681458605 /nfs/dbraw/zinc/45/86/05/681458605.db2.gz CQNOLKAHIIFFLZ-KURKYZTESA-N 1 2 332.448 2.342 20 30 EEEDLO Cc1nsc(N[C@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)c1C#N ZINC001059081007 681731910 /nfs/dbraw/zinc/73/19/10/681731910.db2.gz QSBXAEBPTQOBFT-YPMHNXCESA-N 1 2 344.444 2.184 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cocn3)C2)cc1F ZINC001006942274 682018319 /nfs/dbraw/zinc/01/83/19/682018319.db2.gz YIOXSJKTQQGTES-CQSZACIVSA-N 1 2 328.347 2.080 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3cocn3)C2)cc1F ZINC001006942274 682018325 /nfs/dbraw/zinc/01/83/25/682018325.db2.gz YIOXSJKTQQGTES-CQSZACIVSA-N 1 2 328.347 2.080 20 30 EEEDLO C=C(Cl)CN1CC[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001028765261 682152893 /nfs/dbraw/zinc/15/28/93/682152893.db2.gz USDRQRIJKVYTRY-CYBMUJFWSA-N 1 2 325.840 2.145 20 30 EEEDLO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)C(=O)OC(C)(C)C ZINC000892859411 683147292 /nfs/dbraw/zinc/14/72/92/683147292.db2.gz GUGYPFBZVBWRNC-ZDUSSCGKSA-N 1 2 330.432 2.242 20 30 EEEDLO CCO[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001029219809 683563061 /nfs/dbraw/zinc/56/30/61/683563061.db2.gz IQQCTSRDOMDGLR-UWWPHRKUSA-N 1 2 345.468 2.220 20 30 EEEDLO CCO[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001029219809 683563065 /nfs/dbraw/zinc/56/30/65/683563065.db2.gz IQQCTSRDOMDGLR-UWWPHRKUSA-N 1 2 345.468 2.220 20 30 EEEDLO CCO[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029219708 683563251 /nfs/dbraw/zinc/56/32/51/683563251.db2.gz GMGRYZIXERSOOZ-WCIQWLHISA-N 1 2 338.451 2.138 20 30 EEEDLO CCO[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029219708 683563252 /nfs/dbraw/zinc/56/32/52/683563252.db2.gz GMGRYZIXERSOOZ-WCIQWLHISA-N 1 2 338.451 2.138 20 30 EEEDLO Cc1nc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)s2)c[nH]1 ZINC001029242925 683672420 /nfs/dbraw/zinc/67/24/20/683672420.db2.gz OJLRHXGOXBCGAO-BETUJISGSA-N 1 2 341.440 2.140 20 30 EEEDLO Cc1nc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)s2)c[nH]1 ZINC001029242925 683672428 /nfs/dbraw/zinc/67/24/28/683672428.db2.gz OJLRHXGOXBCGAO-BETUJISGSA-N 1 2 341.440 2.140 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(C)Cc2ccccc2F)cc1 ZINC000177555606 683723306 /nfs/dbraw/zinc/72/33/06/683723306.db2.gz BNJRMDKLYUDZRL-UHFFFAOYSA-N 1 2 345.374 2.130 20 30 EEEDLO CN(C)c1cc(C#N)cc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000351261291 683810277 /nfs/dbraw/zinc/81/02/77/683810277.db2.gz NOSOYJWGMLNLII-HNNXBMFYSA-N 1 2 337.427 2.378 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cocn2)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000993108454 683931916 /nfs/dbraw/zinc/93/19/16/683931916.db2.gz PMCKTLXLZPTBJK-BLLLJJGKSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cocn2)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000993108454 683931918 /nfs/dbraw/zinc/93/19/18/683931918.db2.gz PMCKTLXLZPTBJK-BLLLJJGKSA-N 1 2 342.374 2.468 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@H](Nc4ccc(C#N)cn4)C3)ccn12 ZINC001059311652 684104855 /nfs/dbraw/zinc/10/48/55/684104855.db2.gz QEMNYODNQNZBPB-WKILWMFISA-N 1 2 346.394 2.282 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(OC)nc1C ZINC001029423271 684489225 /nfs/dbraw/zinc/48/92/25/684489225.db2.gz VBOULUWSQKJGHK-IYBDPMFKSA-N 1 2 344.459 2.181 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(OC)nc1C ZINC001029423271 684489228 /nfs/dbraw/zinc/48/92/28/684489228.db2.gz VBOULUWSQKJGHK-IYBDPMFKSA-N 1 2 344.459 2.181 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000974274647 684556011 /nfs/dbraw/zinc/55/60/11/684556011.db2.gz HKGNMISCNFNFOX-GASCZTMLSA-N 1 2 344.459 2.046 20 30 EEEDLO CC(C)c1nnc(C[N@H+](C)C2CCN(C(=O)[C@@H](C)C#N)CC2)s1 ZINC000985331218 686341736 /nfs/dbraw/zinc/34/17/36/686341736.db2.gz DINXZVPDTBPLHM-LBPRGKRZSA-N 1 2 335.477 2.244 20 30 EEEDLO CC(C)c1nnc(C[N@@H+](C)C2CCN(C(=O)[C@@H](C)C#N)CC2)s1 ZINC000985331218 686341744 /nfs/dbraw/zinc/34/17/44/686341744.db2.gz DINXZVPDTBPLHM-LBPRGKRZSA-N 1 2 335.477 2.244 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ncnn2CC)C1 ZINC001029826818 687224315 /nfs/dbraw/zinc/22/43/15/687224315.db2.gz WBDLSARZDXXCKL-YJBOKZPZSA-N 1 2 333.480 2.181 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ncnn2CC)C1 ZINC001029826818 687224319 /nfs/dbraw/zinc/22/43/19/687224319.db2.gz WBDLSARZDXXCKL-YJBOKZPZSA-N 1 2 333.480 2.181 20 30 EEEDLO CCc1cnc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001027374757 687777444 /nfs/dbraw/zinc/77/74/44/687777444.db2.gz IUTMYAUTTHLSBZ-OAHLLOKOSA-N 1 2 341.415 2.173 20 30 EEEDLO CCc1cnc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001027374757 687777451 /nfs/dbraw/zinc/77/74/51/687777451.db2.gz IUTMYAUTTHLSBZ-OAHLLOKOSA-N 1 2 341.415 2.173 20 30 EEEDLO Cn1cccc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001027759708 694379469 /nfs/dbraw/zinc/37/94/69/694379469.db2.gz LRGNEFUMDYTZSS-KRWDZBQOSA-N 1 2 340.402 2.430 20 30 EEEDLO Cn1cccc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001027759708 694379474 /nfs/dbraw/zinc/37/94/74/694379474.db2.gz LRGNEFUMDYTZSS-KRWDZBQOSA-N 1 2 340.402 2.430 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCO3)CCC[C@@H]12 ZINC000989932059 692482874 /nfs/dbraw/zinc/48/28/74/692482874.db2.gz KCKHTSZNMNDTOC-UMVBOHGHSA-N 1 2 343.265 2.187 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCO3)CCC[C@@H]12 ZINC000989932059 692482878 /nfs/dbraw/zinc/48/28/78/692482878.db2.gz KCKHTSZNMNDTOC-UMVBOHGHSA-N 1 2 343.265 2.187 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001060002705 692504741 /nfs/dbraw/zinc/50/47/41/692504741.db2.gz YFYGHDFXPALGQG-INIZCTEOSA-N 1 2 346.475 2.230 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@]2(NC(=O)c3ccn[nH]3)CCC[C@@H]12 ZINC000989971300 692543291 /nfs/dbraw/zinc/54/32/91/692543291.db2.gz WBJMPEQSITTXFA-TZMCWYRMSA-N 1 2 339.237 2.045 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@]2(NC(=O)c3ccn[nH]3)CCC[C@@H]12 ZINC000989971300 692543297 /nfs/dbraw/zinc/54/32/97/692543297.db2.gz WBJMPEQSITTXFA-TZMCWYRMSA-N 1 2 339.237 2.045 20 30 EEEDLO Cc1cc(C[N@@H+]2CC[C@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@@H]23)no1 ZINC000990264051 692791016 /nfs/dbraw/zinc/79/10/16/692791016.db2.gz DWVBINQLORTLDI-SJLPKXTDSA-N 1 2 339.399 2.110 20 30 EEEDLO Cc1cc(C[N@H+]2CC[C@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@@H]23)no1 ZINC000990264051 692791021 /nfs/dbraw/zinc/79/10/21/692791021.db2.gz DWVBINQLORTLDI-SJLPKXTDSA-N 1 2 339.399 2.110 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnc(OCC)cn2)C(C)(C)C1 ZINC000977663236 692899433 /nfs/dbraw/zinc/89/94/33/692899433.db2.gz USHVYZBBPPFXGG-ZDUSSCGKSA-N 1 2 338.839 2.068 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnc(OCC)cn2)C(C)(C)C1 ZINC000977663236 692899438 /nfs/dbraw/zinc/89/94/38/692899438.db2.gz USHVYZBBPPFXGG-ZDUSSCGKSA-N 1 2 338.839 2.068 20 30 EEEDLO C=C1CCC(C(=O)N(C)C[C@H]2CCN2C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000978339389 693509138 /nfs/dbraw/zinc/50/91/38/693509138.db2.gz MFQQYCPMAGFEOB-QGZVFWFLSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C1CCC(C(=O)N(C)C[C@H]2CCN2C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000978339389 693509142 /nfs/dbraw/zinc/50/91/42/693509142.db2.gz MFQQYCPMAGFEOB-QGZVFWFLSA-N 1 2 344.459 2.148 20 30 EEEDLO CC(C)n1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)n1 ZINC001038761991 693677773 /nfs/dbraw/zinc/67/77/73/693677773.db2.gz PRVWYZRCBFQLHT-QGZVFWFLSA-N 1 2 337.427 2.340 20 30 EEEDLO CC(C)n1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)n1 ZINC001038761991 693677778 /nfs/dbraw/zinc/67/77/78/693677778.db2.gz PRVWYZRCBFQLHT-QGZVFWFLSA-N 1 2 337.427 2.340 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000905306614 694606967 /nfs/dbraw/zinc/60/69/67/694606967.db2.gz IRJYLFYMTIZMPB-ROUUACIJSA-N 1 2 330.428 2.439 20 30 EEEDLO CCC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1nc(-c2ccccc2)no1 ZINC001481132297 1179873276 /nfs/dbraw/zinc/87/32/76/1179873276.db2.gz JXYOMDHTOKZRJL-AWEZNQCLSA-N 1 2 341.415 2.224 20 30 EEEDLO CCC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1nc(-c2ccccc2)no1 ZINC001481132297 1179873288 /nfs/dbraw/zinc/87/32/88/1179873288.db2.gz JXYOMDHTOKZRJL-AWEZNQCLSA-N 1 2 341.415 2.224 20 30 EEEDLO C#CCCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2nnc(C(C)C)o2)C1 ZINC001752780657 1185716737 /nfs/dbraw/zinc/71/67/37/1185716737.db2.gz CPZMVSDPCGILLB-HNNXBMFYSA-N 1 2 332.448 2.325 20 30 EEEDLO C#CCCCC(=O)NC[C@@H]1CCC[N@H+](Cc2nnc(C(C)C)o2)C1 ZINC001752780657 1185716746 /nfs/dbraw/zinc/71/67/46/1185716746.db2.gz CPZMVSDPCGILLB-HNNXBMFYSA-N 1 2 332.448 2.325 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001111604958 1188239479 /nfs/dbraw/zinc/23/94/79/1188239479.db2.gz JOJHZJFCINVIQY-HOCLYGCPSA-N 1 2 332.448 2.417 20 30 EEEDLO Cc1nc(N2CC[C@H]3CN(C(=O)C#CC(C)C)CC[C@@H]32)c(C)c(C)[nH+]1 ZINC001105625073 1188343637 /nfs/dbraw/zinc/34/36/37/1188343637.db2.gz GETDSEOJCOHCCW-ROUUACIJSA-N 1 2 340.471 2.488 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N(CC)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001126817570 1188447908 /nfs/dbraw/zinc/44/79/08/1188447908.db2.gz BIJQBVATPQDFCH-DOTOQJQBSA-N 1 2 344.459 2.031 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc3cc(C)nn3c2C)[C@H]1C ZINC001088783007 1188505415 /nfs/dbraw/zinc/50/54/15/1188505415.db2.gz XFKUDOAFNOSGPB-HIFRSBDPSA-N 1 2 347.850 2.291 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc3cc(C)nn3c2C)[C@H]1C ZINC001088783007 1188505417 /nfs/dbraw/zinc/50/54/17/1188505417.db2.gz XFKUDOAFNOSGPB-HIFRSBDPSA-N 1 2 347.850 2.291 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088784192 1188507052 /nfs/dbraw/zinc/50/70/52/1188507052.db2.gz MLKHSXDTLNTNTO-PXAZEXFGSA-N 1 2 341.390 2.122 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088784192 1188507056 /nfs/dbraw/zinc/50/70/56/1188507056.db2.gz MLKHSXDTLNTNTO-PXAZEXFGSA-N 1 2 341.390 2.122 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001077116212 1189341584 /nfs/dbraw/zinc/34/15/84/1189341584.db2.gz KPCHIJALZHCJDZ-LSDHHAIUSA-N 1 2 346.475 2.059 20 30 EEEDLO C#CC(C)(C)C(=O)N1CC[C@H]2C[N@H+](Cc3nc4ccccc4[nH]3)C[C@H]21 ZINC001272345906 1190778658 /nfs/dbraw/zinc/77/86/58/1190778658.db2.gz NWAIMLMDENRQPB-WMLDXEAASA-N 1 2 336.439 2.255 20 30 EEEDLO C#CC(C)(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3nc4ccccc4[nH]3)C[C@H]21 ZINC001272345906 1190778659 /nfs/dbraw/zinc/77/86/59/1190778659.db2.gz NWAIMLMDENRQPB-WMLDXEAASA-N 1 2 336.439 2.255 20 30 EEEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cnc(Cl)cc1OC)CC2 ZINC001272476676 1190842133 /nfs/dbraw/zinc/84/21/33/1190842133.db2.gz QGVNSYXYKQLZLN-AWEZNQCLSA-N 1 2 347.846 2.095 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)COc2cccc(OC)c2)C1 ZINC001409912416 1191129814 /nfs/dbraw/zinc/12/98/14/1191129814.db2.gz KZCFRKAYJGTKFM-ZDUSSCGKSA-N 1 2 338.835 2.263 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn3cc(OC)ccc23)C1 ZINC001033506369 1194639022 /nfs/dbraw/zinc/63/90/22/1194639022.db2.gz VKVCZFGKWRXDFR-ZDUSSCGKSA-N 1 2 348.834 2.242 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn3cc(OC)ccc23)C1 ZINC001033506369 1194639024 /nfs/dbraw/zinc/63/90/24/1194639024.db2.gz VKVCZFGKWRXDFR-ZDUSSCGKSA-N 1 2 348.834 2.242 20 30 EEEDLO CN(C(=O)c1nccs1)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033520348 1194670006 /nfs/dbraw/zinc/67/00/06/1194670006.db2.gz AQBFGVAMXKNGES-NSHDSACASA-N 1 2 332.454 2.423 20 30 EEEDLO CN(C(=O)c1nccs1)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033520348 1194670007 /nfs/dbraw/zinc/67/00/07/1194670007.db2.gz AQBFGVAMXKNGES-NSHDSACASA-N 1 2 332.454 2.423 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001033554420 1194722889 /nfs/dbraw/zinc/72/28/89/1194722889.db2.gz MJGIBKMOJAMBOI-HNNXBMFYSA-N 1 2 345.834 2.371 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001033554420 1194722892 /nfs/dbraw/zinc/72/28/92/1194722892.db2.gz MJGIBKMOJAMBOI-HNNXBMFYSA-N 1 2 345.834 2.371 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(Cc2ccccc2F)CC1 ZINC001018037656 1224243665 /nfs/dbraw/zinc/24/36/65/1224243665.db2.gz ICWWZTZLEZPMMD-CALCHBBNSA-N 1 2 326.415 2.457 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(Cc2ccccc2F)CC1 ZINC001018037656 1224243669 /nfs/dbraw/zinc/24/36/69/1224243669.db2.gz ICWWZTZLEZPMMD-CALCHBBNSA-N 1 2 326.415 2.457 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001033617805 1194958983 /nfs/dbraw/zinc/95/89/83/1194958983.db2.gz ZUWRPAJWUOMFTJ-LJQANCHMSA-N 1 2 337.423 2.240 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001033617805 1194958985 /nfs/dbraw/zinc/95/89/85/1194958985.db2.gz ZUWRPAJWUOMFTJ-LJQANCHMSA-N 1 2 337.423 2.240 20 30 EEEDLO CCN(C(=O)[C@@H]1CCCO1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033734923 1195155812 /nfs/dbraw/zinc/15/58/12/1195155812.db2.gz IYABQFNECSADSO-ROUUACIJSA-N 1 2 345.418 2.299 20 30 EEEDLO CCN(C(=O)[C@@H]1CCCO1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033734923 1195155814 /nfs/dbraw/zinc/15/58/14/1195155814.db2.gz IYABQFNECSADSO-ROUUACIJSA-N 1 2 345.418 2.299 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC23CCOCC3)C1 ZINC001034060998 1195714176 /nfs/dbraw/zinc/71/41/76/1195714176.db2.gz ZZOLQGCNVFDMRK-LSDHHAIUSA-N 1 2 326.868 2.478 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC23CCOCC3)C1 ZINC001034060998 1195714178 /nfs/dbraw/zinc/71/41/78/1195714178.db2.gz ZZOLQGCNVFDMRK-LSDHHAIUSA-N 1 2 326.868 2.478 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001034087387 1195747850 /nfs/dbraw/zinc/74/78/50/1195747850.db2.gz JDPHDAJNHXJFAK-MSOLQXFVSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001034087387 1195747853 /nfs/dbraw/zinc/74/78/53/1195747853.db2.gz JDPHDAJNHXJFAK-MSOLQXFVSA-N 1 2 345.418 2.347 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108120039 1195903404 /nfs/dbraw/zinc/90/34/04/1195903404.db2.gz VRNLKNWDQXCFBJ-FQEVSTJZSA-N 1 2 341.455 2.478 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108120039 1195903406 /nfs/dbraw/zinc/90/34/06/1195903406.db2.gz VRNLKNWDQXCFBJ-FQEVSTJZSA-N 1 2 341.455 2.478 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+](Cc3nn(CC)nc3C)C2)C1 ZINC001034389300 1196175507 /nfs/dbraw/zinc/17/55/07/1196175507.db2.gz OUNJVANNKPFASD-INIZCTEOSA-N 1 2 345.491 2.433 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+](Cc3nn(CC)nc3C)C2)C1 ZINC001034389300 1196175511 /nfs/dbraw/zinc/17/55/11/1196175511.db2.gz OUNJVANNKPFASD-INIZCTEOSA-N 1 2 345.491 2.433 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3coc(C)n3)C2)cn1 ZINC001034493861 1196284235 /nfs/dbraw/zinc/28/42/35/1196284235.db2.gz SAGXOGWFVHXCCY-QGZVFWFLSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](Cc3coc(C)n3)C2)cn1 ZINC001034493861 1196284239 /nfs/dbraw/zinc/28/42/39/1196284239.db2.gz SAGXOGWFVHXCCY-QGZVFWFLSA-N 1 2 338.411 2.144 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)c4nnc(C)s4)C[C@H]32)CCC1 ZINC001114397035 1197921580 /nfs/dbraw/zinc/92/15/80/1197921580.db2.gz GKIUBAUDCSMPLG-RZFFKMDDSA-N 1 2 344.484 2.148 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)c4nnc(C)s4)C[C@H]32)CCC1 ZINC001114397035 1197921585 /nfs/dbraw/zinc/92/15/85/1197921585.db2.gz GKIUBAUDCSMPLG-RZFFKMDDSA-N 1 2 344.484 2.148 20 30 EEEDLO C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1Nc1ccc(C#N)cn1 ZINC001067222004 1224446755 /nfs/dbraw/zinc/44/67/55/1224446755.db2.gz AHALHOWZQFNTHL-YVEFUNNKSA-N 1 2 346.394 2.402 20 30 EEEDLO CC/C=C\CC[NH+]1CC2(C1)CN(Cc1cccc(C#N)c1)C(=O)CO2 ZINC001273421763 1198783254 /nfs/dbraw/zinc/78/32/54/1198783254.db2.gz SZFZMABHWZYSQV-ARJAWSKDSA-N 1 2 339.439 2.328 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001132042074 1199227833 /nfs/dbraw/zinc/22/78/33/1199227833.db2.gz PLNFFHTVKKJYHQ-ZBFHGGJFSA-N 1 2 349.862 2.244 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001132042074 1199227834 /nfs/dbraw/zinc/22/78/34/1199227834.db2.gz PLNFFHTVKKJYHQ-ZBFHGGJFSA-N 1 2 349.862 2.244 20 30 EEEDLO CCOC(=O)n1nc2c(c1Nc1ccc(CC#N)cn1)C[NH2+]C2(C)C ZINC001170753996 1199636741 /nfs/dbraw/zinc/63/67/41/1199636741.db2.gz IYCKZAKEMWYTIH-UHFFFAOYSA-N 1 2 340.387 2.431 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCOC2CCOCC2)CC[C@H]1C ZINC001132417405 1199689823 /nfs/dbraw/zinc/68/98/23/1199689823.db2.gz XBOMJDYBUCMSFF-HUUCEWRRSA-N 1 2 344.883 2.294 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCOC2CCOCC2)CC[C@H]1C ZINC001132417405 1199689827 /nfs/dbraw/zinc/68/98/27/1199689827.db2.gz XBOMJDYBUCMSFF-HUUCEWRRSA-N 1 2 344.883 2.294 20 30 EEEDLO CC(N=Nc1nc(Br)cn2ccnc12)c1ccc(N)[nH+]c1 ZINC000814866980 1199772381 /nfs/dbraw/zinc/77/23/81/1199772381.db2.gz MGEKXJFETDNGBS-UHFFFAOYSA-N 1 2 346.192 2.305 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ncc(F)cc1F ZINC001014950870 1224572461 /nfs/dbraw/zinc/57/24/61/1224572461.db2.gz KNPHVHIKOOTQSD-MRXNPFEDSA-N 1 2 341.361 2.216 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ncc(F)cc1F ZINC001014950870 1224572464 /nfs/dbraw/zinc/57/24/64/1224572464.db2.gz KNPHVHIKOOTQSD-MRXNPFEDSA-N 1 2 341.361 2.216 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@H+](CCO)Cc1cccnc1)c1ccccc1 ZINC000878193863 1200314079 /nfs/dbraw/zinc/31/40/79/1200314079.db2.gz LZRHDOPCAZOKPS-HXUWFJFHSA-N 1 2 337.423 2.317 20 30 EEEDLO CC(=O)[C@](C#N)(CC[N@@H+](CCO)Cc1cccnc1)c1ccccc1 ZINC000878193863 1200314087 /nfs/dbraw/zinc/31/40/87/1200314087.db2.gz LZRHDOPCAZOKPS-HXUWFJFHSA-N 1 2 337.423 2.317 20 30 EEEDLO COc1ccc([C@@H]2CN(C(=O)c3cc(O)cc(C#N)c3)CC[NH2+]2)cc1 ZINC000870143560 1200504621 /nfs/dbraw/zinc/50/46/21/1200504621.db2.gz VVANRWYVJWOIBP-SFHVURJKSA-N 1 2 337.379 2.059 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](CC)C(=O)Nc2ccc(C)cc2)C1=O ZINC000878549351 1200536837 /nfs/dbraw/zinc/53/68/37/1200536837.db2.gz FDGUYHRJFICTHS-IRXDYDNUSA-N 1 2 329.444 2.431 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](CC)C(=O)Nc2ccc(C)cc2)C1=O ZINC000878549351 1200536842 /nfs/dbraw/zinc/53/68/42/1200536842.db2.gz FDGUYHRJFICTHS-IRXDYDNUSA-N 1 2 329.444 2.431 20 30 EEEDLO CCOC(=O)c1ccc(N[NH+]=Cc2cnc(N(C)C)n2C)cc1C ZINC000812229392 1200569961 /nfs/dbraw/zinc/56/99/61/1200569961.db2.gz IFOKMYHXXGSXGK-UHFFFAOYSA-N 1 2 329.404 2.417 20 30 EEEDLO CCc1nnc(C)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001014992387 1224624404 /nfs/dbraw/zinc/62/44/04/1224624404.db2.gz VJBJYKIPUULZIE-KRWDZBQOSA-N 1 2 349.438 2.223 20 30 EEEDLO CCc1nnc(C)cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001014992387 1224624407 /nfs/dbraw/zinc/62/44/07/1224624407.db2.gz VJBJYKIPUULZIE-KRWDZBQOSA-N 1 2 349.438 2.223 20 30 EEEDLO C#CC[C@H](CO)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000879033308 1200818251 /nfs/dbraw/zinc/81/82/51/1200818251.db2.gz LVPOGGFPXORJCK-OAHLLOKOSA-N 1 2 336.395 2.108 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N(CCNCC#N)Cc1cccc(Cl)c1 ZINC001133410376 1200878646 /nfs/dbraw/zinc/87/86/46/1200878646.db2.gz BPKYFCPMUTWFHO-UHFFFAOYSA-N 1 2 345.834 2.056 20 30 EEEDLO CC(C)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3C#N)CC2)C1=O ZINC000879588152 1201159937 /nfs/dbraw/zinc/15/99/37/1201159937.db2.gz ASLMTCWPFPBAMS-GOSISDBHSA-N 1 2 344.434 2.219 20 30 EEEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cc(C#N)c(F)cc2F)[C@H](C)CO1 ZINC000880709806 1201564726 /nfs/dbraw/zinc/56/47/26/1201564726.db2.gz BWHNLQZVESLRFL-GHMZBOCLSA-N 1 2 338.358 2.067 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cc(C#N)c(F)cc2F)[C@H](C)CO1 ZINC000880709806 1201564729 /nfs/dbraw/zinc/56/47/29/1201564729.db2.gz BWHNLQZVESLRFL-GHMZBOCLSA-N 1 2 338.358 2.067 20 30 EEEDLO N#Cc1ccncc1N1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000795041756 1201897627 /nfs/dbraw/zinc/89/76/27/1201897627.db2.gz KCAYCTVRKVWRAM-GOSISDBHSA-N 1 2 342.830 2.462 20 30 EEEDLO COC(C)(C)CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000868988382 1201918642 /nfs/dbraw/zinc/91/86/42/1201918642.db2.gz CTXWCFUDGCWGFK-UHFFFAOYSA-N 1 2 344.459 2.201 20 30 EEEDLO Cc1cc(N2C[C@@H](NC(=O)[C@H](C)C#N)C(C)(C)C2)nc(C2CC2)[nH+]1 ZINC001114438898 1201951304 /nfs/dbraw/zinc/95/13/04/1201951304.db2.gz CRYQFSXVYWKYOG-BXUZGUMPSA-N 1 2 327.432 2.153 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2c(OC)cccc2OC)C1 ZINC001015125117 1224783284 /nfs/dbraw/zinc/78/32/84/1224783284.db2.gz XISINBSXGJPGKU-CYBMUJFWSA-N 1 2 338.835 2.189 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2c(OC)cccc2OC)C1 ZINC001015125117 1224783291 /nfs/dbraw/zinc/78/32/91/1224783291.db2.gz XISINBSXGJPGKU-CYBMUJFWSA-N 1 2 338.835 2.189 20 30 EEEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(OC)cncc1OC ZINC001274586516 1205088348 /nfs/dbraw/zinc/08/83/48/1205088348.db2.gz NVLMHFWVHWFWFW-LJQANCHMSA-N 1 2 345.443 2.242 20 30 EEEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(OC)cncc1OC ZINC001274586516 1205088350 /nfs/dbraw/zinc/08/83/50/1205088350.db2.gz NVLMHFWVHWFWFW-LJQANCHMSA-N 1 2 345.443 2.242 20 30 EEEDLO Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C#N)n(C)c2)[nH]1 ZINC001274717430 1205140148 /nfs/dbraw/zinc/14/01/48/1205140148.db2.gz IRTIRPSPQLLIHM-IYBDPMFKSA-N 1 2 337.427 2.022 20 30 EEEDLO Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C#N)n(C)c2)[nH]1 ZINC001274717430 1205140151 /nfs/dbraw/zinc/14/01/51/1205140151.db2.gz IRTIRPSPQLLIHM-IYBDPMFKSA-N 1 2 337.427 2.022 20 30 EEEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2c1nc(NC(C)C)c(C)c[nH+]1 ZINC001274726365 1205142985 /nfs/dbraw/zinc/14/29/85/1205142985.db2.gz SFFRSKAVRIQPRU-HUUCEWRRSA-N 1 2 329.448 2.361 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)CCCCN2c1nc(N(C)CC)c(C)c[nH+]1 ZINC001274725846 1205144283 /nfs/dbraw/zinc/14/42/83/1205144283.db2.gz FQXYXJOSCXIKOL-IBGZPJMESA-N 1 2 343.475 2.389 20 30 EEEDLO C=CCNC(=O)[C@H]1CC12CCN(c1nc(NC3CC3)c(C)c[nH+]1)CC2 ZINC001274731201 1205146542 /nfs/dbraw/zinc/14/65/42/1205146542.db2.gz LJKCNTZINUZHCK-OAHLLOKOSA-N 1 2 341.459 2.268 20 30 EEEDLO C#CCN1CCC2(CC[NH+](Cc3cc(O)c(F)c(F)c3)CC2)C1=O ZINC001274807794 1205173345 /nfs/dbraw/zinc/17/33/45/1205173345.db2.gz GWZMGPQHGNARGD-UHFFFAOYSA-N 1 2 334.366 2.118 20 30 EEEDLO Cc1ccc(C[NH+]2CC3(CCN3C(=O)C3(C#N)CCOCC3)C2)cc1 ZINC001275911755 1205582653 /nfs/dbraw/zinc/58/26/53/1205582653.db2.gz AMMYSYNTUIKYJM-UHFFFAOYSA-N 1 2 339.439 2.102 20 30 EEEDLO COc1cc(C#N)ccc1C[NH+]1CC2(C1)CCN(C(=O)NC(C)C)C2 ZINC001276086309 1205770355 /nfs/dbraw/zinc/77/03/55/1205770355.db2.gz DPGBTUABPGTZLD-UHFFFAOYSA-N 1 2 342.443 2.193 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001015250597 1224983433 /nfs/dbraw/zinc/98/34/33/1224983433.db2.gz BOAIQDCSJLBJHZ-MRXNPFEDSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001015250597 1224983442 /nfs/dbraw/zinc/98/34/42/1224983442.db2.gz BOAIQDCSJLBJHZ-MRXNPFEDSA-N 1 2 345.406 2.439 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCCN(C)c2ccccc2)cc1OC ZINC000159165521 1208432351 /nfs/dbraw/zinc/43/23/51/1208432351.db2.gz HLQONTJWBVMODW-UHFFFAOYSA-N 1 2 329.400 2.477 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C)no3)[C@H](C)C2)cc1 ZINC000947611682 1208644227 /nfs/dbraw/zinc/64/42/27/1208644227.db2.gz OVKVTSHMQFTLFA-CXAGYDPISA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)no3)[C@H](C)C2)cc1 ZINC000947611682 1208644228 /nfs/dbraw/zinc/64/42/28/1208644228.db2.gz OVKVTSHMQFTLFA-CXAGYDPISA-N 1 2 338.411 2.142 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnnc(C)c1 ZINC000948910105 1209447375 /nfs/dbraw/zinc/44/73/75/1209447375.db2.gz JBRBQVJPNNRKQY-IBGZPJMESA-N 1 2 334.423 2.138 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnnc(C)c1 ZINC000948910105 1209447377 /nfs/dbraw/zinc/44/73/77/1209447377.db2.gz JBRBQVJPNNRKQY-IBGZPJMESA-N 1 2 334.423 2.138 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC000948939945 1209464829 /nfs/dbraw/zinc/46/48/29/1209464829.db2.gz BPTOWSSXTSHVFK-AQNXPRMDSA-N 1 2 338.451 2.150 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC000948939945 1209464830 /nfs/dbraw/zinc/46/48/30/1209464830.db2.gz BPTOWSSXTSHVFK-AQNXPRMDSA-N 1 2 338.451 2.150 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C(F)F)n[nH]1 ZINC000948957826 1209473773 /nfs/dbraw/zinc/47/37/73/1209473773.db2.gz JGEOXHVEZKTEEJ-MRXNPFEDSA-N 1 2 344.365 2.310 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C(F)F)n[nH]1 ZINC000948957826 1209473776 /nfs/dbraw/zinc/47/37/76/1209473776.db2.gz JGEOXHVEZKTEEJ-MRXNPFEDSA-N 1 2 344.365 2.310 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnn(CCC)c1 ZINC000948966165 1209478032 /nfs/dbraw/zinc/47/80/32/1209478032.db2.gz UYFGMSMVTICBDR-LJQANCHMSA-N 1 2 336.439 2.256 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnn(CCC)c1 ZINC000948966165 1209478035 /nfs/dbraw/zinc/47/80/35/1209478035.db2.gz UYFGMSMVTICBDR-LJQANCHMSA-N 1 2 336.439 2.256 20 30 EEEDLO 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C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc3c(cnn3C)c2)C1 ZINC000968476546 1221335721 /nfs/dbraw/zinc/33/57/21/1221335721.db2.gz NIYPPADTENLBNV-NHYWBVRUSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc3c(cnn3C)c2)C1 ZINC000968476546 1221335725 /nfs/dbraw/zinc/33/57/25/1221335725.db2.gz NIYPPADTENLBNV-NHYWBVRUSA-N 1 2 347.850 2.161 20 30 EEEDLO CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000968858700 1221628367 /nfs/dbraw/zinc/62/83/67/1221628367.db2.gz IUJADRJIIYBLRU-JKSUJKDBSA-N 1 2 328.460 2.214 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccnc3)C2)c(F)c1 ZINC001006591356 1221850664 /nfs/dbraw/zinc/85/06/64/1221850664.db2.gz QYADQJMBNKCPFP-QGZVFWFLSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3cccnc3)C2)c(F)c1 ZINC001006591356 1221850667 /nfs/dbraw/zinc/85/06/67/1221850667.db2.gz QYADQJMBNKCPFP-QGZVFWFLSA-N 1 2 338.386 2.487 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)no1 ZINC001006645566 1221877306 /nfs/dbraw/zinc/87/73/06/1221877306.db2.gz QJFDPUPEXOAFKR-QGZVFWFLSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)no1 ZINC001006645566 1221877309 /nfs/dbraw/zinc/87/73/09/1221877309.db2.gz QJFDPUPEXOAFKR-QGZVFWFLSA-N 1 2 341.386 2.368 20 30 EEEDLO CCn1ccnc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001007234600 1222140688 /nfs/dbraw/zinc/14/06/88/1222140688.db2.gz NPXBIHRRZXLHJH-CYBMUJFWSA-N 1 2 343.456 2.231 20 30 EEEDLO CCn1ccnc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001007234600 1222140689 /nfs/dbraw/zinc/14/06/89/1222140689.db2.gz NPXBIHRRZXLHJH-CYBMUJFWSA-N 1 2 343.456 2.231 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001007360408 1222189863 /nfs/dbraw/zinc/18/98/63/1222189863.db2.gz RDNWZDDIGBSCRP-KURKYZTESA-N 1 2 347.434 2.283 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cn2)C1 ZINC001007360408 1222189866 /nfs/dbraw/zinc/18/98/66/1222189866.db2.gz RDNWZDDIGBSCRP-KURKYZTESA-N 1 2 347.434 2.283 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2cnccn2)C1 ZINC001007501652 1222263162 /nfs/dbraw/zinc/26/31/62/1222263162.db2.gz BDTIAHSPZAWNQO-JKSUJKDBSA-N 1 2 339.443 2.420 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2cnccn2)C1 ZINC001007501652 1222263163 /nfs/dbraw/zinc/26/31/63/1222263163.db2.gz BDTIAHSPZAWNQO-JKSUJKDBSA-N 1 2 339.443 2.420 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1cc(F)c[nH]1 ZINC001007981231 1222545104 /nfs/dbraw/zinc/54/51/04/1222545104.db2.gz URXQCDGDRKHSBF-KRWDZBQOSA-N 1 2 325.387 2.400 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1cc(F)c[nH]1 ZINC001007981231 1222545107 /nfs/dbraw/zinc/54/51/07/1222545107.db2.gz URXQCDGDRKHSBF-KRWDZBQOSA-N 1 2 325.387 2.400 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001008395728 1222808637 /nfs/dbraw/zinc/80/86/37/1222808637.db2.gz QCYSQFZBZSVVHC-BEFAXECRSA-N 1 2 346.475 2.216 20 30 EEEDLO CCn1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001008752669 1223023890 /nfs/dbraw/zinc/02/38/90/1223023890.db2.gz GZFABEAIFOVUPP-QGZVFWFLSA-N 1 2 337.427 2.169 20 30 EEEDLO CCn1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001008752669 1223023898 /nfs/dbraw/zinc/02/38/98/1223023898.db2.gz GZFABEAIFOVUPP-QGZVFWFLSA-N 1 2 337.427 2.169 20 30 EEEDLO COc1cccnc1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001009320450 1223210492 /nfs/dbraw/zinc/21/04/92/1223210492.db2.gz UUZVRUUDXICFHL-GOSISDBHSA-N 1 2 349.434 2.336 20 30 EEEDLO COc1cccnc1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001009320450 1223210494 /nfs/dbraw/zinc/21/04/94/1223210494.db2.gz UUZVRUUDXICFHL-GOSISDBHSA-N 1 2 349.434 2.336 20 30 EEEDLO C=CC(C)(C)CC(=O)NCCCN(CC)c1[nH+]cnc2c1cnn2C ZINC001095921854 1223251405 /nfs/dbraw/zinc/25/14/05/1223251405.db2.gz QXJDBUHAODIUKB-UHFFFAOYSA-N 1 2 344.463 2.298 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001009757686 1223358122 /nfs/dbraw/zinc/35/81/22/1223358122.db2.gz FJJLFUYTISPWNF-LBPRGKRZSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1nc[nH]c1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001009757686 1223358125 /nfs/dbraw/zinc/35/81/25/1223358125.db2.gz FJJLFUYTISPWNF-LBPRGKRZSA-N 1 2 329.429 2.046 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)c3cscn3)C2)c1 ZINC001010375071 1223688107 /nfs/dbraw/zinc/68/81/07/1223688107.db2.gz FHKZDJZFCBUBJS-ZDUSSCGKSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)c3cscn3)C2)c1 ZINC001010375071 1223688109 /nfs/dbraw/zinc/68/81/09/1223688109.db2.gz FHKZDJZFCBUBJS-ZDUSSCGKSA-N 1 2 330.388 2.158 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)[nH]1 ZINC001010378870 1223689713 /nfs/dbraw/zinc/68/97/13/1223689713.db2.gz AAZJEFGIGQIRNA-MRXNPFEDSA-N 1 2 342.830 2.227 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)[nH]1 ZINC001010378870 1223689716 /nfs/dbraw/zinc/68/97/16/1223689716.db2.gz AAZJEFGIGQIRNA-MRXNPFEDSA-N 1 2 342.830 2.227 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3ccc(F)nc3)C2)ccc1F ZINC001010383852 1223692714 /nfs/dbraw/zinc/69/27/14/1223692714.db2.gz HSPOARABVWUPTJ-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(F)nc3)C2)ccc1F ZINC001010383852 1223692715 /nfs/dbraw/zinc/69/27/15/1223692715.db2.gz HSPOARABVWUPTJ-HNNXBMFYSA-N 1 2 342.349 2.236 20 30 EEEDLO CCc1ocnc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001010404511 1223704480 /nfs/dbraw/zinc/70/44/80/1223704480.db2.gz LNMGDFJYMCIBHN-NSHDSACASA-N 1 2 330.413 2.174 20 30 EEEDLO CCc1ocnc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001010404511 1223704483 /nfs/dbraw/zinc/70/44/83/1223704483.db2.gz LNMGDFJYMCIBHN-NSHDSACASA-N 1 2 330.413 2.174 20 30 EEEDLO Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001010424445 1223714114 /nfs/dbraw/zinc/71/41/14/1223714114.db2.gz NIMXOMQQMASQAK-QGZVFWFLSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001010424445 1223714116 /nfs/dbraw/zinc/71/41/16/1223714116.db2.gz NIMXOMQQMASQAK-QGZVFWFLSA-N 1 2 338.386 2.405 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)c1 ZINC001010458864 1223729858 /nfs/dbraw/zinc/72/98/58/1223729858.db2.gz USCZYTRPQRTERR-ZDUSSCGKSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3cccc(F)c3F)C2)c1 ZINC001010458864 1223729860 /nfs/dbraw/zinc/72/98/60/1223729860.db2.gz USCZYTRPQRTERR-ZDUSSCGKSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3cccnc3)C2)c(F)c1 ZINC001010619903 1223816076 /nfs/dbraw/zinc/81/60/76/1223816076.db2.gz KCJQJECRKPRMGR-QGZVFWFLSA-N 1 2 338.386 2.026 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cc3cccnc3)C2)c(F)c1 ZINC001010619903 1223816077 /nfs/dbraw/zinc/81/60/77/1223816077.db2.gz KCJQJECRKPRMGR-QGZVFWFLSA-N 1 2 338.386 2.026 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)[nH]c3c2CCCC3)C1 ZINC001016434217 1226476102 /nfs/dbraw/zinc/47/61/02/1226476102.db2.gz UKHBZOUDPFDWOE-LBPRGKRZSA-N 1 2 335.835 2.223 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)[nH]c3c2CCCC3)C1 ZINC001016434217 1226476108 /nfs/dbraw/zinc/47/61/08/1226476108.db2.gz UKHBZOUDPFDWOE-LBPRGKRZSA-N 1 2 335.835 2.223 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)[nH]c3c2CCCC3)C1 ZINC001016434216 1226476702 /nfs/dbraw/zinc/47/67/02/1226476702.db2.gz UKHBZOUDPFDWOE-GFCCVEGCSA-N 1 2 335.835 2.223 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)[nH]c3c2CCCC3)C1 ZINC001016434216 1226476703 /nfs/dbraw/zinc/47/67/03/1226476703.db2.gz UKHBZOUDPFDWOE-GFCCVEGCSA-N 1 2 335.835 2.223 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001058251447 1248759768 /nfs/dbraw/zinc/75/97/68/1248759768.db2.gz GIEUGCPYFKLDAK-BQFCYCMXSA-N 1 2 344.459 2.241 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCCCO2)cc1 ZINC001017482201 1227457349 /nfs/dbraw/zinc/45/73/49/1227457349.db2.gz IMVRLMIWRDRUCW-CEXWTWQISA-N 1 2 339.439 2.303 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCCCO2)cc1 ZINC001017482201 1227457359 /nfs/dbraw/zinc/45/73/59/1227457359.db2.gz IMVRLMIWRDRUCW-CEXWTWQISA-N 1 2 339.439 2.303 20 30 EEEDLO Cc1nc(CC[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)cs1 ZINC001017539561 1227503291 /nfs/dbraw/zinc/50/32/91/1227503291.db2.gz AKJAMVQNPWSKQF-CALCHBBNSA-N 1 2 329.469 2.083 20 30 EEEDLO Cc1nc(CC[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)cs1 ZINC001017539561 1227503294 /nfs/dbraw/zinc/50/32/94/1227503294.db2.gz AKJAMVQNPWSKQF-CALCHBBNSA-N 1 2 329.469 2.083 20 30 EEEDLO N#Cc1cc(C[NH2+][C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)ccc1F ZINC001018878774 1228481662 /nfs/dbraw/zinc/48/16/62/1228481662.db2.gz SSPBQLVOLGAOST-WCQYABFASA-N 1 2 347.287 2.288 20 30 EEEDLO N#Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)ccc1F ZINC001018878774 1228481669 /nfs/dbraw/zinc/48/16/69/1228481669.db2.gz SSPBQLVOLGAOST-WCQYABFASA-N 1 2 347.287 2.288 20 30 EEEDLO C=C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1)c1ccccc1 ZINC001019804550 1229355296 /nfs/dbraw/zinc/35/52/96/1229355296.db2.gz AKDKANQIUZFTPS-GOEBONIOSA-N 1 2 328.441 2.198 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)cc1F ZINC001038169840 1229675048 /nfs/dbraw/zinc/67/50/48/1229675048.db2.gz PVIGTUSDUWXOQM-AWEZNQCLSA-N 1 2 342.374 2.038 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)cc1F ZINC001038169840 1229675051 /nfs/dbraw/zinc/67/50/51/1229675051.db2.gz PVIGTUSDUWXOQM-AWEZNQCLSA-N 1 2 342.374 2.038 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCCOCC1 ZINC001038219629 1229692833 /nfs/dbraw/zinc/69/28/33/1229692833.db2.gz WNPRKXXJVGHHFX-RBUKOAKNSA-N 1 2 326.440 2.045 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCCOCC1 ZINC001038219629 1229692836 /nfs/dbraw/zinc/69/28/36/1229692836.db2.gz WNPRKXXJVGHHFX-RBUKOAKNSA-N 1 2 326.440 2.045 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+]1Cc1c(C)noc1C ZINC001038345218 1229759042 /nfs/dbraw/zinc/75/90/42/1229759042.db2.gz NTNQCPVLAHIQBY-OAHLLOKOSA-N 1 2 328.416 2.283 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]1Cc1c(C)noc1C ZINC001038345218 1229759043 /nfs/dbraw/zinc/75/90/43/1229759043.db2.gz NTNQCPVLAHIQBY-OAHLLOKOSA-N 1 2 328.416 2.283 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc3c[nH]ccc-3n2)c1 ZINC001038416905 1229800627 /nfs/dbraw/zinc/80/06/27/1229800627.db2.gz QARQVFRWJJYWLD-QGZVFWFLSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc3c[nH]ccc-3n2)c1 ZINC001038416905 1229800632 /nfs/dbraw/zinc/80/06/32/1229800632.db2.gz QARQVFRWJJYWLD-QGZVFWFLSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1cccc(CN2CC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001038416905 1229800641 /nfs/dbraw/zinc/80/06/41/1229800641.db2.gz QARQVFRWJJYWLD-QGZVFWFLSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cnn3ccccc23)c1 ZINC001038817911 1230080790 /nfs/dbraw/zinc/08/07/90/1230080790.db2.gz AFHIFUNZHCSBEI-QGZVFWFLSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cnn3ccccc23)c1 ZINC001038817911 1230080791 /nfs/dbraw/zinc/08/07/91/1230080791.db2.gz AFHIFUNZHCSBEI-QGZVFWFLSA-N 1 2 345.406 2.210 20 30 EEEDLO CCc1nc(C)c(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)o1 ZINC001038881239 1230131424 /nfs/dbraw/zinc/13/14/24/1230131424.db2.gz DOKMCNKLSXQTIL-INIZCTEOSA-N 1 2 338.411 2.421 20 30 EEEDLO CCc1nc(C)c(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)o1 ZINC001038881239 1230131426 /nfs/dbraw/zinc/13/14/26/1230131426.db2.gz DOKMCNKLSXQTIL-INIZCTEOSA-N 1 2 338.411 2.421 20 30 EEEDLO CC(C)c1noc(C[N@@H+]2CCC[C@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC001040118786 1231035412 /nfs/dbraw/zinc/03/54/12/1231035412.db2.gz GNGMFJMDADFLDN-KDOFPFPSSA-N 1 2 345.447 2.167 20 30 EEEDLO CC(C)c1noc(C[N@H+]2CCC[C@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC001040118786 1231035414 /nfs/dbraw/zinc/03/54/14/1231035414.db2.gz GNGMFJMDADFLDN-KDOFPFPSSA-N 1 2 345.447 2.167 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ncccc3O)C2)C1 ZINC001040173739 1231075115 /nfs/dbraw/zinc/07/51/15/1231075115.db2.gz MCSRBKNVNYYZBG-QGZVFWFLSA-N 1 2 335.835 2.468 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ncccc3O)C2)C1 ZINC001040173739 1231075119 /nfs/dbraw/zinc/07/51/19/1231075119.db2.gz MCSRBKNVNYYZBG-QGZVFWFLSA-N 1 2 335.835 2.468 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@]4(C3)CCCN(CC#N)C4)ccn12 ZINC001040211233 1231106181 /nfs/dbraw/zinc/10/61/81/1231106181.db2.gz YTCSFAQHABHHHE-LJQANCHMSA-N 1 2 337.427 2.094 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCCO[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001041525596 1231581479 /nfs/dbraw/zinc/58/14/79/1231581479.db2.gz NXMDDBYJKOLNPY-YJBOKZPZSA-N 1 2 332.448 2.417 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@]3(CC[N@@H+]([C@@H](C)c4nnc(C)[nH]4)C3)C2)C1 ZINC001041657871 1231640063 /nfs/dbraw/zinc/64/00/63/1231640063.db2.gz UEIRIJFIHQNAOY-LIRRHRJNSA-N 1 2 343.475 2.455 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@]3(CC[N@H+]([C@@H](C)c4nnc(C)[nH]4)C3)C2)C1 ZINC001041657871 1231640065 /nfs/dbraw/zinc/64/00/65/1231640065.db2.gz UEIRIJFIHQNAOY-LIRRHRJNSA-N 1 2 343.475 2.455 20 30 EEEDLO CSCC(=O)N1CC[C@@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@@H]2C1 ZINC001041921425 1231767026 /nfs/dbraw/zinc/76/70/26/1231767026.db2.gz WOSMMKBCEVZBQQ-SUMWQHHRSA-N 1 2 347.459 2.483 20 30 EEEDLO CSCC(=O)N1CC[C@@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@@H]2C1 ZINC001041921425 1231767029 /nfs/dbraw/zinc/76/70/29/1231767029.db2.gz WOSMMKBCEVZBQQ-SUMWQHHRSA-N 1 2 347.459 2.483 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cocn3)C[C@@H]21 ZINC001041972076 1231800050 /nfs/dbraw/zinc/80/00/50/1231800050.db2.gz IWOQATUGRVOMKA-AAEUAGOBSA-N 1 2 340.221 2.120 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H]2CCN(C(=O)c3cocn3)C[C@@H]21 ZINC001041972076 1231800052 /nfs/dbraw/zinc/80/00/52/1231800052.db2.gz IWOQATUGRVOMKA-AAEUAGOBSA-N 1 2 340.221 2.120 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001042559817 1232106775 /nfs/dbraw/zinc/10/67/75/1232106775.db2.gz KOCIKXNGKFZOCU-VUNQQRPYSA-N 1 2 344.459 2.097 20 30 EEEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001042589493 1232113874 /nfs/dbraw/zinc/11/38/74/1232113874.db2.gz HLLFBSWDYBHXLV-SFHVURJKSA-N 1 2 338.386 2.469 20 30 EEEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2cccc3cccnc32)C1 ZINC001042637633 1232126242 /nfs/dbraw/zinc/12/62/42/1232126242.db2.gz OZMAIBIGCIAFCD-UHFFFAOYSA-N 1 2 345.406 2.391 20 30 EEEDLO C=C1CCC(C(=O)N(C)C2C[NH+](CCc3cnn(CC)c3)C2)CC1 ZINC001043751956 1232565929 /nfs/dbraw/zinc/56/59/29/1232565929.db2.gz LUVIYSWZBKBZIJ-UHFFFAOYSA-N 1 2 330.476 2.335 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@H](OC)c3ccccc3)C2)cn1 ZINC001044204689 1232786919 /nfs/dbraw/zinc/78/69/19/1232786919.db2.gz BWRGTHWPCSGLPF-FQEVSTJZSA-N 1 2 349.434 2.207 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)C2CC(OC)C2)CC1 ZINC001045472045 1233763027 /nfs/dbraw/zinc/76/30/27/1233763027.db2.gz KQXYMQVITRUSCN-UHFFFAOYSA-N 1 2 345.281 2.291 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cscn2)c[nH]1 ZINC001045759637 1233950399 /nfs/dbraw/zinc/95/03/99/1233950399.db2.gz STLWKIIHDUSADO-CVEARBPZSA-N 1 2 341.440 2.222 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2cscn2)c[nH]1 ZINC001045759637 1233950401 /nfs/dbraw/zinc/95/04/01/1233950401.db2.gz STLWKIIHDUSADO-CVEARBPZSA-N 1 2 341.440 2.222 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000800384263 1234091788 /nfs/dbraw/zinc/09/17/88/1234091788.db2.gz VTXKZZYSFHPBNC-UONOGXRCSA-N 1 2 326.437 2.341 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000800384263 1234091791 /nfs/dbraw/zinc/09/17/91/1234091791.db2.gz VTXKZZYSFHPBNC-UONOGXRCSA-N 1 2 326.437 2.341 20 30 EEEDLO CC1(C)CCCC[C@H]1CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046086512 1234422660 /nfs/dbraw/zinc/42/26/60/1234422660.db2.gz JIMDGPFYYIBWEF-ZWKOTPCHSA-N 1 2 346.519 2.335 20 30 EEEDLO C[C@@]1(NC(=O)c2ccon2)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046156607 1234499141 /nfs/dbraw/zinc/49/91/41/1234499141.db2.gz RBOLZUSIUHYEFR-GOSISDBHSA-N 1 2 327.359 2.060 20 30 EEEDLO C[C@@]1(NC(=O)c2ccon2)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046156607 1234499143 /nfs/dbraw/zinc/49/91/43/1234499143.db2.gz RBOLZUSIUHYEFR-GOSISDBHSA-N 1 2 327.359 2.060 20 30 EEEDLO Cc1ncoc1C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046219849 1234567026 /nfs/dbraw/zinc/56/70/26/1234567026.db2.gz ZEMIASXFHQITRA-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ncoc1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001046219849 1234567028 /nfs/dbraw/zinc/56/70/28/1234567028.db2.gz ZEMIASXFHQITRA-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)c2ccn(C)c2)C1 ZINC001046238438 1234584515 /nfs/dbraw/zinc/58/45/15/1234584515.db2.gz ICKOSLHYCFJFIV-AWEZNQCLSA-N 1 2 326.238 2.128 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)c2ccn(C)c2)C1 ZINC001046238438 1234584516 /nfs/dbraw/zinc/58/45/16/1234584516.db2.gz ICKOSLHYCFJFIV-AWEZNQCLSA-N 1 2 326.238 2.128 20 30 EEEDLO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@H+](CC=C(Cl)Cl)C1 ZINC001046248563 1234592740 /nfs/dbraw/zinc/59/27/40/1234592740.db2.gz PORGIUYRAVZELO-AWEZNQCLSA-N 1 2 327.215 2.400 20 30 EEEDLO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001046248563 1234592744 /nfs/dbraw/zinc/59/27/44/1234592744.db2.gz PORGIUYRAVZELO-AWEZNQCLSA-N 1 2 327.215 2.400 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@H](C)c3nc(C)no3)C2)cc1 ZINC001046533060 1234914390 /nfs/dbraw/zinc/91/43/90/1234914390.db2.gz FFIVQQJATOYLPY-BFUOFWGJSA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@H](C)c3nc(C)no3)C2)cc1 ZINC001046533060 1234914393 /nfs/dbraw/zinc/91/43/93/1234914393.db2.gz FFIVQQJATOYLPY-BFUOFWGJSA-N 1 2 338.411 2.315 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]([NH2+]Cc2nnc(C3CC3)o2)[C@@H](C)C1 ZINC001054971890 1249495520 /nfs/dbraw/zinc/49/55/20/1249495520.db2.gz VTWTYIODCGAPLV-JSGCOSHPSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001047526886 1236154696 /nfs/dbraw/zinc/15/46/96/1236154696.db2.gz UPDMTJNYZZSQKE-JJXSEGSLSA-N 1 2 330.432 2.073 20 30 EEEDLO CCCC[C@@H](C)C(=O)NCC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC001096281554 1237084332 /nfs/dbraw/zinc/08/43/32/1237084332.db2.gz BLXTVSRGMMOMIT-MRXNPFEDSA-N 1 2 343.475 2.018 20 30 EEEDLO C=CCCCC(=O)NCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096299400 1237242357 /nfs/dbraw/zinc/24/23/57/1237242357.db2.gz GIQKBBAOMWFUQK-UHFFFAOYSA-N 1 2 346.431 2.189 20 30 EEEDLO C=CC[N@H+](CN1CCN(Cc2cccc(OC)c2)C1=O)[C@@H](C)COC ZINC000902312938 1237386226 /nfs/dbraw/zinc/38/62/26/1237386226.db2.gz NDBCLQAALLSISL-INIZCTEOSA-N 1 2 347.459 2.413 20 30 EEEDLO C=CC[N@@H+](CN1CCN(Cc2cccc(OC)c2)C1=O)[C@@H](C)COC ZINC000902312938 1237386230 /nfs/dbraw/zinc/38/62/30/1237386230.db2.gz NDBCLQAALLSISL-INIZCTEOSA-N 1 2 347.459 2.413 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096338760 1237439652 /nfs/dbraw/zinc/43/96/52/1237439652.db2.gz MSQWNGVCOJTEHQ-GOEBONIOSA-N 1 2 332.448 2.078 20 30 EEEDLO N#CCN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC001048580867 1238014397 /nfs/dbraw/zinc/01/43/97/1238014397.db2.gz QCPVPUREAMADOZ-IDHPPYADSA-N 1 2 349.438 2.369 20 30 EEEDLO Cc1nc(N2CC[C@H]([C@H]3CCCN(C(=O)C#CC4CC4)C3)C2)cc[nH+]1 ZINC001067816440 1249688794 /nfs/dbraw/zinc/68/87/94/1249688794.db2.gz AWCIDEPNYANXTR-ROUUACIJSA-N 1 2 338.455 2.263 20 30 EEEDLO Cc1cc(N[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)nc(C2CC2)[nH+]1 ZINC001056602285 1239447314 /nfs/dbraw/zinc/44/73/14/1239447314.db2.gz OUARCOFPPOKDGZ-CQSZACIVSA-N 1 2 336.399 2.189 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CSC ZINC001049316641 1240526946 /nfs/dbraw/zinc/52/69/46/1240526946.db2.gz XNCXUVALEPQAPZ-NWDGAFQWSA-N 1 2 333.295 2.323 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CSC ZINC001049316641 1240526950 /nfs/dbraw/zinc/52/69/50/1240526950.db2.gz XNCXUVALEPQAPZ-NWDGAFQWSA-N 1 2 333.295 2.323 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)[C@H](C)C#N)n1 ZINC001049372697 1240710883 /nfs/dbraw/zinc/71/08/83/1240710883.db2.gz NCSICRDLQHKUPG-OIISXLGYSA-N 1 2 329.448 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N#Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2cscn2)[nH]1 ZINC001049424445 1240871223 /nfs/dbraw/zinc/87/12/23/1240871223.db2.gz FASCSDQQQKDOGX-HZPDHXFCSA-N 1 2 341.440 2.222 20 30 EEEDLO C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC001049583411 1241516532 /nfs/dbraw/zinc/51/65/32/1241516532.db2.gz VQTKSHJYHCDRMR-OALUTQOASA-N 1 2 334.423 2.389 20 30 EEEDLO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC001049583411 1241516547 /nfs/dbraw/zinc/51/65/47/1241516547.db2.gz VQTKSHJYHCDRMR-OALUTQOASA-N 1 2 334.423 2.389 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ncccn2)C1 ZINC001049713300 1241962048 /nfs/dbraw/zinc/96/20/48/1241962048.db2.gz XODZUHZGBRJYKK-CVEARBPZSA-N 1 2 326.444 2.398 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3Cc2ncccn2)C1 ZINC001049713300 1241962053 /nfs/dbraw/zinc/96/20/53/1241962053.db2.gz XODZUHZGBRJYKK-CVEARBPZSA-N 1 2 326.444 2.398 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C 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C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cn(CC)nc1C(C)C ZINC001051147011 1245046751 /nfs/dbraw/zinc/04/67/51/1245046751.db2.gz XSRXADGEDSKKCF-MRXNPFEDSA-N 1 2 348.491 2.423 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(CC)nc1C(C)C ZINC001051147011 1245046756 /nfs/dbraw/zinc/04/67/56/1245046756.db2.gz XSRXADGEDSKKCF-MRXNPFEDSA-N 1 2 348.491 2.423 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001052813461 1245052132 /nfs/dbraw/zinc/05/21/32/1245052132.db2.gz HMYHQAFUKWZURK-HUUCEWRRSA-N 1 2 346.475 2.155 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001052813461 1245052137 /nfs/dbraw/zinc/05/21/37/1245052137.db2.gz HMYHQAFUKWZURK-HUUCEWRRSA-N 1 2 346.475 2.155 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H](C)C#N)c2)C1 ZINC001101090640 1245387577 /nfs/dbraw/zinc/38/75/77/1245387577.db2.gz NUBDWPYAXIODCD-BLLLJJGKSA-N 1 2 348.834 2.063 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H](C)C#N)c2)C1 ZINC001101090640 1245387582 /nfs/dbraw/zinc/38/75/82/1245387582.db2.gz NUBDWPYAXIODCD-BLLLJJGKSA-N 1 2 348.834 2.063 20 30 EEEDLO C[C@]12CN(C(=O)CSCC#N)C[C@H]1C[N@H+](C/C(Cl)=C\Cl)C2 ZINC001101135602 1245440062 /nfs/dbraw/zinc/44/00/62/1245440062.db2.gz UCKYQKWTYZTICG-SWYHEDNFSA-N 1 2 348.299 2.342 20 30 EEEDLO C[C@]12CN(C(=O)CSCC#N)C[C@H]1C[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001101135602 1245440068 /nfs/dbraw/zinc/44/00/68/1245440068.db2.gz UCKYQKWTYZTICG-SWYHEDNFSA-N 1 2 348.299 2.342 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@@]2(C)C1 ZINC001101218480 1245532226 /nfs/dbraw/zinc/53/22/26/1245532226.db2.gz FEEPEZCDCLQJNP-RKDQDFCESA-N 1 2 347.286 2.413 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@@]2(C)C1 ZINC001101218480 1245532229 /nfs/dbraw/zinc/53/22/29/1245532229.db2.gz FEEPEZCDCLQJNP-RKDQDFCESA-N 1 2 347.286 2.413 20 30 EEEDLO C=C(C)CCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001051335925 1245569614 /nfs/dbraw/zinc/56/96/14/1245569614.db2.gz WRZQJBWQVXGXSO-HZPDHXFCSA-N 1 2 346.475 2.062 20 30 EEEDLO N#Cc1c(F)cccc1N(CCNC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC001101331620 1245672477 /nfs/dbraw/zinc/67/24/77/1245672477.db2.gz DUERJRWKXLGNCO-UHFFFAOYSA-N 1 2 341.390 2.138 20 30 EEEDLO CC#CCCCC(=O)N1C[C@H]2C[N@@H+]([C@H](C)c3nnc(C)[nH]3)C[C@@]2(C)C1 ZINC001101336842 1245678766 /nfs/dbraw/zinc/67/87/66/1245678766.db2.gz RSJMFHFORFUGIO-OGWOLHLISA-N 1 2 343.475 2.148 20 30 EEEDLO CC#CCCCC(=O)N1C[C@H]2C[N@H+]([C@H](C)c3nnc(C)[nH]3)C[C@@]2(C)C1 ZINC001101336842 1245678770 /nfs/dbraw/zinc/67/87/70/1245678770.db2.gz RSJMFHFORFUGIO-OGWOLHLISA-N 1 2 343.475 2.148 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCCN(c1[nH+]cnc2c1cnn2C)C1CC1 ZINC001101434738 1245819087 /nfs/dbraw/zinc/81/90/87/1245819087.db2.gz FUWTVCNALGOIMR-GOSISDBHSA-N 1 2 342.447 2.051 20 30 EEEDLO Cc1ccc(C)c([C@@H](C)[NH+]2CC3(C2)CN(C(=O)[C@@H](C)C#N)CCO3)c1 ZINC001053190888 1246030308 /nfs/dbraw/zinc/03/03/08/1246030308.db2.gz 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C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)n1c(C)ccc1C)CCO2 ZINC001053541934 1246453146 /nfs/dbraw/zinc/45/31/46/1246453146.db2.gz GLOGLMCOVKXMSG-KRWDZBQOSA-N 1 2 331.460 2.155 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)c1cccc(OC)c1)CCO2 ZINC001053543062 1246453859 /nfs/dbraw/zinc/45/38/59/1246453859.db2.gz WMPUBSOLKBOGBT-INIZCTEOSA-N 1 2 344.455 2.288 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)c3ccco3)C2)CC1 ZINC001052080664 1246457442 /nfs/dbraw/zinc/45/74/42/1246457442.db2.gz FRXMSLXECOAMFY-IAGOWNOFSA-N 1 2 331.460 2.178 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](CC)CC3CCCC3)C2)CC1 ZINC001052092981 1246472870 /nfs/dbraw/zinc/47/28/70/1246472870.db2.gz ITXAGSDABHNYFD-UXHICEINSA-N 1 2 345.531 2.445 20 30 EEEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)c3ccccc3)C2)CC1 ZINC001052110434 1246491556 /nfs/dbraw/zinc/49/15/56/1246491556.db2.gz QWQYYFJKGYENKE-QUCCMNQESA-N 1 2 339.483 2.032 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(CC)cc3)C2)CC1 ZINC001052115716 1246498988 /nfs/dbraw/zinc/49/89/88/1246498988.db2.gz YJLSYUCEELNYFT-HXUWFJFHSA-N 1 2 339.483 2.104 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(F)cccc1OC)O2 ZINC001053600945 1246515810 /nfs/dbraw/zinc/51/58/10/1246515810.db2.gz WPKUWYBUIWXICF-CQSZACIVSA-N 1 2 348.418 2.374 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)O2 ZINC001053617997 1246541115 /nfs/dbraw/zinc/54/11/15/1246541115.db2.gz MDYTYCCHHVDQAR-OWCLPIDISA-N 1 2 332.469 2.387 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1scnc1C(F)F)O2 ZINC001053631513 1246561133 /nfs/dbraw/zinc/56/11/33/1246561133.db2.gz YYXRISCXRLKIBY-SNVBAGLBSA-N 1 2 343.399 2.230 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C3CC3)on1)O2 ZINC001053634038 1246565656 /nfs/dbraw/zinc/56/56/56/1246565656.db2.gz ILUYCHWJZDFCHO-AWEZNQCLSA-N 1 2 331.416 2.091 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCc3cccnc31)O2 ZINC001053647454 1246585744 /nfs/dbraw/zinc/58/57/44/1246585744.db2.gz VIFQTMAQRZXBIJ-IRXDYDNUSA-N 1 2 341.455 2.037 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001052186805 1246610056 /nfs/dbraw/zinc/61/00/56/1246610056.db2.gz DTJURDRCUYPDOV-ZBFHGGJFSA-N 1 2 346.475 2.104 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1F)O2 ZINC001053674528 1246628195 /nfs/dbraw/zinc/62/81/95/1246628195.db2.gz QFWWVGCURYMXCL-BHYGNILZSA-N 1 2 344.430 2.465 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(N(C)C)c(F)c1)O2 ZINC001053702307 1246681396 /nfs/dbraw/zinc/68/13/96/1246681396.db2.gz UGQPZDITPQIPOZ-OAHLLOKOSA-N 1 2 347.434 2.041 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc(CC(C)C)s1)O2 ZINC001053703611 1246682832 /nfs/dbraw/zinc/68/28/32/1246682832.db2.gz KWEMOXJJNPPHDC-CQSZACIVSA-N 1 2 349.500 2.491 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1c[nH]c3ccccc13)CO2 ZINC001053864404 1246933156 /nfs/dbraw/zinc/93/31/56/1246933156.db2.gz ZAJXALCMXDIMKW-AWEZNQCLSA-N 1 2 325.412 2.317 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001057728302 1246972042 /nfs/dbraw/zinc/97/20/42/1246972042.db2.gz LHDKJLYHBSRPDW-CYBMUJFWSA-N 1 2 342.447 2.369 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1c(F)ccc(C)c1F)CO2 ZINC001053915089 1247009510 /nfs/dbraw/zinc/00/95/10/1247009510.db2.gz CFEXUJVLQXCTDK-ZDUSSCGKSA-N 1 2 336.382 2.422 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1[C@H]3CCCCCC[C@H]13)CO2 ZINC001053938625 1247037124 /nfs/dbraw/zinc/03/71/24/1247037124.db2.gz WGYPUZRNNXZFIB-ULQDDVLXSA-N 1 2 330.472 2.186 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCOc3ccccc31)CO2 ZINC001053957390 1247067886 /nfs/dbraw/zinc/06/78/86/1247067886.db2.gz AOVUGAKCCQKDFL-NVXWUHKLSA-N 1 2 342.439 2.088 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1cccc3ccccc31)CO2 ZINC001053988826 1247114429 /nfs/dbraw/zinc/11/44/29/1247114429.db2.gz RVECKXYTDXVYOO-LJQANCHMSA-N 1 2 348.446 2.365 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ncccc1OC(C)C)CO2 ZINC001053996439 1247127120 /nfs/dbraw/zinc/12/71/20/1247127120.db2.gz GIJOQSBBDMFIEB-OAHLLOKOSA-N 1 2 345.443 2.018 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@]1(C)CCC(C)=C(C)C1)CO2 ZINC001054019684 1247158781 /nfs/dbraw/zinc/15/87/81/1247158781.db2.gz AMIGDAACXAPWLS-HKUYNNGSSA-N 1 2 330.472 2.496 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001054042040 1247205063 /nfs/dbraw/zinc/20/50/63/1247205063.db2.gz MJDBAGVAJKVEFX-HXUWFJFHSA-N 1 2 333.435 2.488 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001054042040 1247205065 /nfs/dbraw/zinc/20/50/65/1247205065.db2.gz MJDBAGVAJKVEFX-HXUWFJFHSA-N 1 2 333.435 2.488 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1c(C)cncc1C ZINC001054046311 1247226772 /nfs/dbraw/zinc/22/67/72/1247226772.db2.gz JKCMNTCTIFMDFB-LJQANCHMSA-N 1 2 333.435 2.488 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1c(C)cncc1C ZINC001054046311 1247226782 /nfs/dbraw/zinc/22/67/82/1247226782.db2.gz JKCMNTCTIFMDFB-LJQANCHMSA-N 1 2 333.435 2.488 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001054057239 1247258794 /nfs/dbraw/zinc/25/87/94/1247258794.db2.gz GIYOZPIUVVIYEM-GOSISDBHSA-N 1 2 349.434 2.417 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001054057239 1247258800 /nfs/dbraw/zinc/25/88/00/1247258800.db2.gz GIYOZPIUVVIYEM-GOSISDBHSA-N 1 2 349.434 2.417 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001057771658 1247450494 /nfs/dbraw/zinc/45/04/94/1247450494.db2.gz LQGXOHQHDWYVST-HNNXBMFYSA-N 1 2 325.416 2.489 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@H](C)[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001052611951 1247684734 /nfs/dbraw/zinc/68/47/34/1247684734.db2.gz OOXSMEJRURJSRB-GJZGRUSLSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@H](C)[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001052611951 1247684741 /nfs/dbraw/zinc/68/47/41/1247684741.db2.gz OOXSMEJRURJSRB-GJZGRUSLSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CCn1cccc1C(=O)NCC1CCN(c2cc[nH+]c(C)n2)CC1 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2 338.415 2.000 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3c[nH]c4cccnc34)cc2C1 ZINC001054289952 1248022840 /nfs/dbraw/zinc/02/28/40/1248022840.db2.gz VWPBRPUSMUXKLP-UHFFFAOYSA-N 1 2 330.391 2.442 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3c[nH]c4cccnc34)cc2C1 ZINC001054289952 1248022846 /nfs/dbraw/zinc/02/28/46/1248022846.db2.gz VWPBRPUSMUXKLP-UHFFFAOYSA-N 1 2 330.391 2.442 20 30 EEEDLO Cc1nsc(N[C@H]2C[C@@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)c1C#N ZINC001069078152 1252195015 /nfs/dbraw/zinc/19/50/15/1252195015.db2.gz DNPYHUOORWCMIX-PWSUYJOCSA-N 1 2 344.444 2.080 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)CCC1 ZINC001071032737 1253915029 /nfs/dbraw/zinc/91/50/29/1253915029.db2.gz VLIWHNDURFLTNA-MRXNPFEDSA-N 1 2 344.459 2.127 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C)on1)C[C@H](C)O2 ZINC001071128028 1253983036 /nfs/dbraw/zinc/98/30/36/1253983036.db2.gz XLTMQZSEHYPFQB-XJKSGUPXSA-N 1 2 339.823 2.041 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C)on1)C[C@H](C)O2 ZINC001071128028 1253983043 /nfs/dbraw/zinc/98/30/43/1253983043.db2.gz XLTMQZSEHYPFQB-XJKSGUPXSA-N 1 2 339.823 2.041 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2ncccc2OC)CC[C@@H]1C ZINC001071769491 1254636735 /nfs/dbraw/zinc/63/67/35/1254636735.db2.gz RRNXZJOFIQCUSN-KBPBESRZSA-N 1 2 337.851 2.354 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2ncccc2OC)CC[C@@H]1C ZINC001071769491 1254636750 /nfs/dbraw/zinc/63/67/50/1254636750.db2.gz RRNXZJOFIQCUSN-KBPBESRZSA-N 1 2 337.851 2.354 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc3ncccn3n2)CC[C@H]1C ZINC001071917247 1254786980 /nfs/dbraw/zinc/78/69/80/1254786980.db2.gz YZEXHMBMYOOTFJ-CHWSQXEVSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc3ncccn3n2)CC[C@H]1C ZINC001071917247 1254786987 /nfs/dbraw/zinc/78/69/87/1254786987.db2.gz YZEXHMBMYOOTFJ-CHWSQXEVSA-N 1 2 333.823 2.065 20 30 EEEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3coc(CC4CC4)n3)C[C@H]21 ZINC001074371567 1256948409 /nfs/dbraw/zinc/94/84/09/1256948409.db2.gz LHFDHABBSYPQSD-IAGOWNOFSA-N 1 2 345.443 2.119 20 30 EEEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3coc(CC4CC4)n3)C[C@H]21 ZINC001074371567 1256948412 /nfs/dbraw/zinc/94/84/12/1256948412.db2.gz LHFDHABBSYPQSD-IAGOWNOFSA-N 1 2 345.443 2.119 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(Cl)c3)C[C@@H]21 ZINC001074389107 1256970004 /nfs/dbraw/zinc/97/00/04/1256970004.db2.gz BGFCHAZWTSNROC-DLBZAZTESA-N 1 2 332.831 2.279 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(Cl)c3)C[C@@H]21 ZINC001074389107 1256970008 /nfs/dbraw/zinc/97/00/08/1256970008.db2.gz BGFCHAZWTSNROC-DLBZAZTESA-N 1 2 332.831 2.279 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(OCC)cc3)C[C@@H]21 ZINC001074394476 1256975617 /nfs/dbraw/zinc/97/56/17/1256975617.db2.gz GIXXFKZTOICVJJ-RBUKOAKNSA-N 1 2 342.439 2.024 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(OCC)cc3)C[C@@H]21 ZINC001074394476 1256975621 /nfs/dbraw/zinc/97/56/21/1256975621.db2.gz GIXXFKZTOICVJJ-RBUKOAKNSA-N 1 2 342.439 2.024 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)COc3ccccc3C)C[C@H]21 ZINC001074398318 1256982632 /nfs/dbraw/zinc/98/26/32/1256982632.db2.gz VZMLTOBPOXKSAW-MJGOQNOKSA-N 1 2 344.455 2.252 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)COc3ccccc3C)C[C@H]21 ZINC001074398318 1256982640 /nfs/dbraw/zinc/98/26/40/1256982640.db2.gz VZMLTOBPOXKSAW-MJGOQNOKSA-N 1 2 344.455 2.252 20 30 EEEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1nnc(C)o1 ZINC001099055480 1257945320 /nfs/dbraw/zinc/94/53/20/1257945320.db2.gz SVSNLLBCMJRHBD-ZDUSSCGKSA-N 1 2 340.855 2.280 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1nnc(C)o1 ZINC001099055480 1257945326 /nfs/dbraw/zinc/94/53/26/1257945326.db2.gz SVSNLLBCMJRHBD-ZDUSSCGKSA-N 1 2 340.855 2.280 20 30 EEEDLO C[C@@H](CCNC(=O)CCc1c[nH]c[nH+]1)Nc1ncc(C#N)cc1Cl ZINC001099765515 1258336703 /nfs/dbraw/zinc/33/67/03/1258336703.db2.gz UVSNRXKCQDFATJ-NSHDSACASA-N 1 2 346.822 2.269 20 30 EEEDLO 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EEEDLO CC(C)c1noc([C@H](C)[NH+]2CCC(CNC(=O)C#CC3CC3)CC2)n1 ZINC001223143355 1299991419 /nfs/dbraw/zinc/99/14/19/1299991419.db2.gz TZKJNEACZQHQIV-AWEZNQCLSA-N 1 2 344.459 2.496 20 30 EEEDLO CC(C)N(CCCNC(=O)Cc1[nH]cc[nH+]1)c1cccc(F)c1C#N ZINC001102115500 1300343600 /nfs/dbraw/zinc/34/36/00/1300343600.db2.gz LSWJOVGCBYITOM-UHFFFAOYSA-N 1 2 343.406 2.384 20 30 EEEDLO C=CC(C)(C)C(=O)NCC1CC[NH+](Cc2ncnn2CC(C)C)CC1 ZINC001224051012 1300394009 /nfs/dbraw/zinc/39/40/09/1300394009.db2.gz IJORJPLSLMQFQF-UHFFFAOYSA-N 1 2 347.507 2.475 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCC1CC[NH+](Cc2cnn(CC)n2)CC1 ZINC001224198960 1300485479 /nfs/dbraw/zinc/48/54/79/1300485479.db2.gz XVYRWHHIJQHUQY-OAHLLOKOSA-N 1 2 333.480 2.229 20 30 EEEDLO COc1ccnc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1C#N ZINC001225566204 1301066005 /nfs/dbraw/zinc/06/60/05/1301066005.db2.gz MOSQNFKVFKEMAG-INIZCTEOSA-N 1 2 339.395 2.242 20 30 EEEDLO COc1ccnc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1C#N ZINC001225566204 1301066021 /nfs/dbraw/zinc/06/60/21/1301066021.db2.gz MOSQNFKVFKEMAG-INIZCTEOSA-N 1 2 339.395 2.242 20 30 EEEDLO C=CCCC(=O)N1CCC(CN(C)c2[nH+]cnc3c2cnn3C)CC1 ZINC001102463699 1301106162 /nfs/dbraw/zinc/10/61/62/1301106162.db2.gz YWOATLOAYXVXBG-UHFFFAOYSA-N 1 2 342.447 2.004 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)Oc1cc(Br)ccc1C#N ZINC001225786862 1301155717 /nfs/dbraw/zinc/15/57/17/1301155717.db2.gz VKRMPWQKQVUDJT-LLVKDONJSA-N 1 2 325.206 2.420 20 30 EEEDLO CCc1nc(C[NH+]2CCC(NC(=O)CSCC#N)CC2)cs1 ZINC001226152254 1301277729 /nfs/dbraw/zinc/27/77/29/1301277729.db2.gz DZTWEUZSSZRVOP-UHFFFAOYSA-N 1 2 338.502 2.043 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)CCCOCC)CC1 ZINC001226237464 1301315312 /nfs/dbraw/zinc/31/53/12/1301315312.db2.gz YWUYEWZNSGIKGJ-UHFFFAOYSA-N 1 2 333.270 2.292 20 30 EEEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3nc(Cl)nc4ccc(F)cc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226372962 1301384031 /nfs/dbraw/zinc/38/40/31/1301384031.db2.gz RPBGQTMUAYZJQH-UBYSCORNSA-N 1 2 335.766 2.414 20 30 EEEDLO 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ZINC001228171841 1302137270 /nfs/dbraw/zinc/13/72/70/1302137270.db2.gz PJULAOMRRILVBB-DERRMCRCSA-N 1 2 325.206 2.144 20 30 EEEDLO C#CCCCCCC(=O)NC1CC[NH+](Cc2nccc(C)n2)CC1 ZINC001228637581 1302351206 /nfs/dbraw/zinc/35/12/06/1302351206.db2.gz WCARQCKHPPPEBT-UHFFFAOYSA-N 1 2 328.460 2.449 20 30 EEEDLO CC#CCCCC(=O)NC1CC[NH+]([C@@H](C)c2nc(CC)no2)CC1 ZINC001228712330 1302398757 /nfs/dbraw/zinc/39/87/57/1302398757.db2.gz PNZBIIPAZREJTP-AWEZNQCLSA-N 1 2 332.448 2.467 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC1CC[NH+](Cc2nn(CC)nc2C)CC1 ZINC001229048756 1302590091 /nfs/dbraw/zinc/59/00/91/1302590091.db2.gz LMTRGGHNAOYDBH-GOSISDBHSA-N 1 2 333.480 2.289 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](CC)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001103259971 1302606428 /nfs/dbraw/zinc/60/64/28/1302606428.db2.gz XONMUDNQSRRHHZ-CQSZACIVSA-N 1 2 345.491 2.374 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](CC)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001103259971 1302606436 /nfs/dbraw/zinc/60/64/36/1302606436.db2.gz XONMUDNQSRRHHZ-CQSZACIVSA-N 1 2 345.491 2.374 20 30 EEEDLO N#Cc1ccc(N[C@H]2CC[C@H](NC(=O)CCn3cc[nH+]c3)CC2)cn1 ZINC001103650338 1303188169 /nfs/dbraw/zinc/18/81/69/1303188169.db2.gz MPZLJUSUQSMJIP-SHTZXODSSA-N 1 2 338.415 2.079 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC001230407665 1303201279 /nfs/dbraw/zinc/20/12/79/1303201279.db2.gz WLBHNCKLSIXDGR-CQSZACIVSA-N 1 2 347.459 2.225 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001103801820 1303350548 /nfs/dbraw/zinc/35/05/48/1303350548.db2.gz BLKSBZZHAMDPOF-DNVCBOLYSA-N 1 2 344.459 2.392 20 30 EEEDLO C=C(Cl)C[N@@H+](CCCNC(=O)c1cnc(C)[nH]1)Cc1cccnc1 ZINC001230714138 1303409999 /nfs/dbraw/zinc/40/99/99/1303409999.db2.gz WNSTVKXEVSQUHZ-UHFFFAOYSA-N 1 2 347.850 2.488 20 30 EEEDLO C=C(Cl)C[N@H+](CCCNC(=O)c1cnc(C)[nH]1)Cc1cccnc1 ZINC001230714138 1303410005 /nfs/dbraw/zinc/41/00/05/1303410005.db2.gz WNSTVKXEVSQUHZ-UHFFFAOYSA-N 1 2 347.850 2.488 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NCCC1=CCCCC1 ZINC001231178106 1303667162 /nfs/dbraw/zinc/66/71/62/1303667162.db2.gz IRSKFOWSFHUGRA-GOSISDBHSA-N 1 2 347.503 2.492 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NCCC1=CCCCC1 ZINC001231178106 1303667170 /nfs/dbraw/zinc/66/71/70/1303667170.db2.gz IRSKFOWSFHUGRA-GOSISDBHSA-N 1 2 347.503 2.492 20 30 EEEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N1CCCCCCC1 ZINC001231178213 1303667894 /nfs/dbraw/zinc/66/78/94/1303667894.db2.gz KJWUYNHDGKCPQP-KRWDZBQOSA-N 1 2 335.492 2.278 20 30 EEEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N1CCCCCCC1 ZINC001231178213 1303667897 /nfs/dbraw/zinc/66/78/97/1303667897.db2.gz KJWUYNHDGKCPQP-KRWDZBQOSA-N 1 2 335.492 2.278 20 30 EEEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)Cc1ccsc1 ZINC001231177556 1303667932 /nfs/dbraw/zinc/66/79/32/1303667932.db2.gz FGGZPYFNSTWGAL-INIZCTEOSA-N 1 2 349.500 2.205 20 30 EEEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)Cc1ccsc1 ZINC001231177556 1303667935 /nfs/dbraw/zinc/66/79/35/1303667935.db2.gz FGGZPYFNSTWGAL-INIZCTEOSA-N 1 2 349.500 2.205 20 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1303867445 /nfs/dbraw/zinc/86/74/45/1303867445.db2.gz ZSTVCHIHUJSRMK-UHFFFAOYSA-N 1 2 326.400 2.316 20 30 EEEDLO CCOCc1ncn2c1C[N@@H+](Cc1ccc(C#N)cc1OC)CC2 ZINC001231620195 1303867449 /nfs/dbraw/zinc/86/74/49/1303867449.db2.gz ZSTVCHIHUJSRMK-UHFFFAOYSA-N 1 2 326.400 2.316 20 30 EEEDLO COc1cc(C#N)ccc1C[NH+]1CCC(NC(=O)C(F)(F)F)CC1 ZINC001231620393 1303868729 /nfs/dbraw/zinc/86/87/29/1303868729.db2.gz ZINGAYOHCYDGAK-UHFFFAOYSA-N 1 2 341.333 2.210 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCC1(Nc2nc(N(C)C)nc(C)[nH+]2)CCC1 ZINC001111884950 1304049235 /nfs/dbraw/zinc/04/92/35/1304049235.db2.gz OAECXJJKKGJEPI-AWEZNQCLSA-N 1 2 346.479 2.299 20 30 EEEDLO COCCOc1ccc(C[NH+]2CC(CC#N)C2)cc1OCCOC ZINC001233083895 1304356295 /nfs/dbraw/zinc/35/62/95/1304356295.db2.gz GZFAJJKLIOIWRU-UHFFFAOYSA-N 1 2 334.416 2.082 20 30 EEEDLO C=CCCC[N@H+]1Cc2ccnn2CC[C@@H]1C(=O)N[C@@H](C)c1ncc[nH]1 ZINC001277779079 1304396709 /nfs/dbraw/zinc/39/67/09/1304396709.db2.gz BZKQWKMGTOZKOC-GOEBONIOSA-N 1 2 342.447 2.024 20 30 EEEDLO 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337.402 2.475 20 30 EEEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ncc[nH]1)CC2 ZINC001203975676 1322004918 /nfs/dbraw/zinc/00/49/18/1322004918.db2.gz QDZLTVMJTJFVSZ-UHFFFAOYSA-N 1 2 327.432 2.277 20 30 EEEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ncc[nH]1)CC2 ZINC001203975676 1322004921 /nfs/dbraw/zinc/00/49/21/1322004921.db2.gz QDZLTVMJTJFVSZ-UHFFFAOYSA-N 1 2 327.432 2.277 20 30 EEEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC001204422025 1322142133 /nfs/dbraw/zinc/14/21/33/1322142133.db2.gz JXXYNCXEFZJAOZ-UHFFFAOYSA-N 1 2 345.353 2.272 20 30 EEEDLO CC(=O)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001205983326 1323362054 /nfs/dbraw/zinc/36/20/54/1323362054.db2.gz HAWPKTQHRLJBMP-FZKQIMNGSA-N 1 2 345.418 2.393 20 30 EEEDLO CC(=O)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC001205983326 1323362060 /nfs/dbraw/zinc/36/20/60/1323362060.db2.gz HAWPKTQHRLJBMP-FZKQIMNGSA-N 1 2 345.418 2.393 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2csc(C)n2)C[C@H]1C ZINC001206428811 1323490832 /nfs/dbraw/zinc/49/08/32/1323490832.db2.gz GFWMIQWGLQFUCE-DVOMOZLQSA-N 1 2 337.489 2.369 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2csc(C)n2)C[C@H]1C ZINC001206428811 1323490834 /nfs/dbraw/zinc/49/08/34/1323490834.db2.gz GFWMIQWGLQFUCE-DVOMOZLQSA-N 1 2 337.489 2.369 20 30 EEEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@H+]3Cc2cccc3[nH]cnc32)cc1C#N ZINC001279110099 1323834249 /nfs/dbraw/zinc/83/42/49/1323834249.db2.gz PAWJCFOOLHCDRO-HDICACEKSA-N 1 2 346.438 2.232 20 30 EEEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+]3Cc2cccc3[nH]cnc32)cc1C#N ZINC001279110099 1323834257 /nfs/dbraw/zinc/83/42/57/1323834257.db2.gz PAWJCFOOLHCDRO-HDICACEKSA-N 1 2 346.438 2.232 20 30 EEEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@H+]3Cc2cccc3nc[nH]c32)cc1C#N ZINC001279110099 1323834266 /nfs/dbraw/zinc/83/42/66/1323834266.db2.gz PAWJCFOOLHCDRO-HDICACEKSA-N 1 2 346.438 2.232 20 30 EEEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+]3Cc2cccc3nc[nH]c32)cc1C#N ZINC001279110099 1323834280 /nfs/dbraw/zinc/83/42/80/1323834280.db2.gz PAWJCFOOLHCDRO-HDICACEKSA-N 1 2 346.438 2.232 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cc5cc[nH]c5cn4)C3)C2)cc1C#N ZINC001279305308 1323870327 /nfs/dbraw/zinc/87/03/27/1323870327.db2.gz SHEJQBNKVGTFNA-UHFFFAOYSA-N 1 2 346.438 2.091 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3nc(CC)no3)C[C@H]2C)CCC1 ZINC001207521753 1324005152 /nfs/dbraw/zinc/00/51/52/1324005152.db2.gz GVIUBKMIUZWOFV-RBSFLKMASA-N 1 2 344.459 2.323 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3nc(CC)no3)C[C@H]2C)CCC1 ZINC001207521753 1324005159 /nfs/dbraw/zinc/00/51/59/1324005159.db2.gz GVIUBKMIUZWOFV-RBSFLKMASA-N 1 2 344.459 2.323 20 30 EEEDLO Cc1ccc2[nH+]cc(CN3CC[C@H]4C[C@]43C(=O)NC3(C#N)CCC3)n2c1 ZINC001279879421 1324022456 /nfs/dbraw/zinc/02/24/56/1324022456.db2.gz LRRPMEOTISAPTR-MGPUTAFESA-N 1 2 349.438 2.170 20 30 EEEDLO C=CCOCCCC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001207758897 1324132327 /nfs/dbraw/zinc/13/23/27/1324132327.db2.gz JTPKSOQGCWLMRI-OAHLLOKOSA-N 1 2 348.447 2.010 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001208258799 1324382460 /nfs/dbraw/zinc/38/24/60/1324382460.db2.gz QTRRLURQOUBNJX-OAHLLOKOSA-N 1 2 332.448 2.459 20 30 EEEDLO CC(C)(C)OC(=O)N1CC(C[NH+]2CC(Oc3ccccc3C#N)C2)C1 ZINC001208625364 1324598293 /nfs/dbraw/zinc/59/82/93/1324598293.db2.gz ZGNHPBGQAICCGF-UHFFFAOYSA-N 1 2 343.427 2.488 20 30 EEEDLO C=CCN(CC[N@@H+]1CCc2nc(C3CC3)ncc2C1)C(=O)OCC ZINC001209020123 1324765291 /nfs/dbraw/zinc/76/52/91/1324765291.db2.gz BWBZLIKMCYIISE-UHFFFAOYSA-N 1 2 330.432 2.357 20 30 EEEDLO C=CCN(CC[N@H+]1CCc2nc(C3CC3)ncc2C1)C(=O)OCC ZINC001209020123 1324765293 /nfs/dbraw/zinc/76/52/93/1324765293.db2.gz BWBZLIKMCYIISE-UHFFFAOYSA-N 1 2 330.432 2.357 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1CCCc1cccnc1 ZINC001209174967 1324834051 /nfs/dbraw/zinc/83/40/51/1324834051.db2.gz WIKSRAHBPWJLCI-GOSISDBHSA-N 1 2 341.459 2.428 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1CCCc1cccnc1 ZINC001209174967 1324834057 /nfs/dbraw/zinc/83/40/57/1324834057.db2.gz WIKSRAHBPWJLCI-GOSISDBHSA-N 1 2 341.459 2.428 20 30 EEEDLO CC(C)Cn1cc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)cn1 ZINC001492477088 1331280168 /nfs/dbraw/zinc/28/01/68/1331280168.db2.gz ZNOMNLZCHBDIAO-UHFFFAOYSA-N 1 2 339.443 2.273 20 30 EEEDLO CC(C)Cn1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)cn1 ZINC001492477088 1331280171 /nfs/dbraw/zinc/28/01/71/1331280171.db2.gz ZNOMNLZCHBDIAO-UHFFFAOYSA-N 1 2 339.443 2.273 20 30 EEEDLO C=CCNC(=O)COC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001318697612 1332579439 /nfs/dbraw/zinc/57/94/39/1332579439.db2.gz XBEHHUGSFLJTPU-KRWDZBQOSA-N 1 2 330.428 2.195 20 30 EEEDLO C=CCNC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001318697612 1332579440 /nfs/dbraw/zinc/57/94/40/1332579440.db2.gz XBEHHUGSFLJTPU-KRWDZBQOSA-N 1 2 330.428 2.195 20 30 EEEDLO N#Cc1ccc(C[NH2+]C2(CNC(=O)c3cccc4nc[nH]c43)CC2)cc1 ZINC001323579898 1333491888 /nfs/dbraw/zinc/49/18/88/1333491888.db2.gz MKLJDBBBISDHPL-UHFFFAOYSA-N 1 2 345.406 2.487 20 30 EEEDLO C=CC[C@H]([NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)OCC ZINC001327951421 1334368817 /nfs/dbraw/zinc/36/88/17/1334368817.db2.gz GHFMKANRGGXUPL-CJNGLKHVSA-N 1 2 339.457 2.291 20 30 EEEDLO C=CCn1c(Nc2ccn(C)n2)nnc1C1CC[NH+](CCC#N)CC1 ZINC001338994608 1336942253 /nfs/dbraw/zinc/94/22/53/1336942253.db2.gz GQUPISUGTPAVKW-UHFFFAOYSA-N 1 2 340.435 2.034 20 30 EEEDLO C=CC1CCN(c2nnc([C@@H]3C[N@@H+](C(C)C)CCO3)n2CC)CC1 ZINC001339690138 1337053712 /nfs/dbraw/zinc/05/37/12/1337053712.db2.gz RWVBDRWPGGXVQX-INIZCTEOSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CC1CCN(c2nnc([C@@H]3C[N@H+](C(C)C)CCO3)n2CC)CC1 ZINC001339690138 1337053715 /nfs/dbraw/zinc/05/37/15/1337053715.db2.gz RWVBDRWPGGXVQX-INIZCTEOSA-N 1 2 333.480 2.482 20 30 EEEDLO C#CCN(CC)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1CC(C)C ZINC001344125336 1337366319 /nfs/dbraw/zinc/36/63/19/1337366319.db2.gz NULZHLAVDKNPGU-INIZCTEOSA-N 1 2 333.480 2.175 20 30 EEEDLO C#CCN(CC)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1CC(C)C ZINC001344125336 1337366322 /nfs/dbraw/zinc/36/63/22/1337366322.db2.gz NULZHLAVDKNPGU-INIZCTEOSA-N 1 2 333.480 2.175 20 30 EEEDLO C=CC1CCN(c2nnc([C@H]3CCC[N@H+]3C)n2C[C@H]2CCOC2)CC1 ZINC001345415518 1337444758 /nfs/dbraw/zinc/44/47/58/1337444758.db2.gz VDLFWJRNDABENB-IAGOWNOFSA-N 1 2 345.491 2.484 20 30 EEEDLO C=CC1CCN(c2nnc([C@H]3CCC[N@@H+]3C)n2C[C@H]2CCOC2)CC1 ZINC001345415518 1337444760 /nfs/dbraw/zinc/44/47/60/1337444760.db2.gz VDLFWJRNDABENB-IAGOWNOFSA-N 1 2 345.491 2.484 20 30 EEEDLO C[C@H]1CCCC[C@H]1OCC[NH+]1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001434856349 1341969838 /nfs/dbraw/zinc/96/98/38/1341969838.db2.gz FMWUYHWRVCVQMS-MAUKXSAKSA-N 1 2 344.459 2.239 20 30 EEEDLO C=C[C@@H](C(=O)NC[C@@H]([NH2+]Cc1c[nH]nn1)C(C)C)c1ccccc1 ZINC001575061598 1343726226 /nfs/dbraw/zinc/72/62/26/1343726226.db2.gz ISNZQGSJSPUHCG-IAGOWNOFSA-N 1 2 327.432 2.005 20 30 EEEDLO C=C[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cn[nH]n1)C(C)C)c1ccccc1 ZINC001575061598 1343726230 /nfs/dbraw/zinc/72/62/30/1343726230.db2.gz ISNZQGSJSPUHCG-IAGOWNOFSA-N 1 2 327.432 2.005 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH]nn1 ZINC001575085568 1343731482 /nfs/dbraw/zinc/73/14/82/1343731482.db2.gz OBEQHXNRFLORAJ-NVXWUHKLSA-N 1 2 331.464 2.338 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cn[nH]n1 ZINC001575085568 1343731488 /nfs/dbraw/zinc/73/14/88/1343731488.db2.gz OBEQHXNRFLORAJ-NVXWUHKLSA-N 1 2 331.464 2.338 20 30 EEEDLO CC[C@@H]1COCC[N@@H+]1CCNc1nc(Br)ccc1C#N ZINC001348291724 1372977447 /nfs/dbraw/zinc/97/74/47/1372977447.db2.gz RGXILXCGJRPCLU-GFCCVEGCSA-N 1 2 339.237 2.238 20 30 EEEDLO CC[C@@H]1COCC[N@H+]1CCNc1nc(Br)ccc1C#N ZINC001348291724 1372977456 /nfs/dbraw/zinc/97/74/56/1372977456.db2.gz RGXILXCGJRPCLU-GFCCVEGCSA-N 1 2 339.237 2.238 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3(C(C)(F)F)CC3)C[C@H]21 ZINC001074341777 1367223820 /nfs/dbraw/zinc/22/38/20/1367223820.db2.gz XONHFIUBRCFCNC-KGLIPLIRSA-N 1 2 328.403 2.300 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3(C(C)(F)F)CC3)C[C@H]21 ZINC001074341777 1367223828 /nfs/dbraw/zinc/22/38/28/1367223828.db2.gz XONHFIUBRCFCNC-KGLIPLIRSA-N 1 2 328.403 2.300 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)C[C@@H](CC)C(C)C)C2)nn1 ZINC001186028986 1368180379 /nfs/dbraw/zinc/18/03/79/1368180379.db2.gz DFKNFWIXEKAVIV-SJLPKXTDSA-N 1 2 345.491 2.237 20 30 EEEDLO O=C(c1[nH]nc2ccccc21)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001187543140 1368248753 /nfs/dbraw/zinc/24/87/53/1368248753.db2.gz QJZUFHMVWGYXNS-QGZVFWFLSA-N 1 2 344.418 2.419 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nnc(CC)o3)C[C@H]21 ZINC001187706751 1368258977 /nfs/dbraw/zinc/25/89/77/1368258977.db2.gz RMULQKDANFLPNW-QLFBSQMISA-N 1 2 330.432 2.029 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nnc(CC)o3)C[C@H]21 ZINC001187706751 1368258981 /nfs/dbraw/zinc/25/89/81/1368258981.db2.gz RMULQKDANFLPNW-QLFBSQMISA-N 1 2 330.432 2.029 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)c2c(C)nn(CC(F)(F)F)c2C)CC1 ZINC001195581490 1368553610 /nfs/dbraw/zinc/55/36/10/1368553610.db2.gz JMOWIPSYEXZDIV-UHFFFAOYSA-N 1 2 330.354 2.006 20 30 EEEDLO C#CCCCCC(=O)N1CCC[N@@H+](CC(=O)NC(CC)CC)CC1 ZINC001195562979 1368558761 /nfs/dbraw/zinc/55/87/61/1368558761.db2.gz QTGDPHRSVSETLD-UHFFFAOYSA-N 1 2 335.492 2.019 20 30 EEEDLO C#CCCCCC(=O)N1CCC[N@H+](CC(=O)NC(CC)CC)CC1 ZINC001195562979 1368558767 /nfs/dbraw/zinc/55/87/67/1368558767.db2.gz QTGDPHRSVSETLD-UHFFFAOYSA-N 1 2 335.492 2.019 20 30 EEEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1cncc(Cl)n1)CC2 ZINC001273835810 1368734274 /nfs/dbraw/zinc/73/42/74/1368734274.db2.gz KEAVVUACNRDQFK-CQSZACIVSA-N 1 2 334.851 2.424 20 30 EEEDLO COc1ccc(N[NH+]=Cc2ccc(N3CCC(O)CC3)cc2)nc1 ZINC000853336427 1369328272 /nfs/dbraw/zinc/32/82/72/1369328272.db2.gz YYLINMZZPSOBAU-UHFFFAOYSA-N 1 2 326.400 2.497 20 30 EEEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1=S ZINC000853571944 1369351723 /nfs/dbraw/zinc/35/17/23/1369351723.db2.gz OFYXNZOZUWQOAM-KGLIPLIRSA-N 1 2 335.477 2.256 20 30 EEEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1=S ZINC000853571944 1369351727 /nfs/dbraw/zinc/35/17/27/1369351727.db2.gz OFYXNZOZUWQOAM-KGLIPLIRSA-N 1 2 335.477 2.256 20 30 EEEDLO O=C(C#Cc1ccc2c(c1)OCO2)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927090510 1369864029 /nfs/dbraw/zinc/86/40/29/1369864029.db2.gz MUWDTESYLJJOTF-UHFFFAOYSA-N 1 2 349.390 2.265 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC(CC)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001069514932 1370165434 /nfs/dbraw/zinc/16/54/34/1370165434.db2.gz ZQEGAXOTIVTKCK-UHFFFAOYSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC(CC)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001069597577 1370195008 /nfs/dbraw/zinc/19/50/08/1370195008.db2.gz JJDMKLMULLMRBG-GOSISDBHSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001071210876 1370419272 /nfs/dbraw/zinc/41/92/72/1370419272.db2.gz UJNKFPQVRZAEPX-OAHLLOKOSA-N 1 2 340.427 2.411 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@@H+](Cc2nc(CC)no2)C3)C1 ZINC001072964117 1370795129 /nfs/dbraw/zinc/79/51/29/1370795129.db2.gz KCQFJAROEMMMLL-UHFFFAOYSA-N 1 2 330.432 2.023 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@H+](Cc2nc(CC)no2)C3)C1 ZINC001072964117 1370795133 /nfs/dbraw/zinc/79/51/33/1370795133.db2.gz KCQFJAROEMMMLL-UHFFFAOYSA-N 1 2 330.432 2.023 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@@H+](Cc2nnc(CC)o2)C3)C1 ZINC001072964258 1370795540 /nfs/dbraw/zinc/79/55/40/1370795540.db2.gz PJDIUFAGOUAGOB-UHFFFAOYSA-N 1 2 330.432 2.023 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@H+](Cc2nnc(CC)o2)C3)C1 ZINC001072964258 1370795544 /nfs/dbraw/zinc/79/55/44/1370795544.db2.gz PJDIUFAGOUAGOB-UHFFFAOYSA-N 1 2 330.432 2.023 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](C)CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001099732459 1371007593 /nfs/dbraw/zinc/00/75/93/1371007593.db2.gz BOFUESFMOTUSPD-GXTWGEPZSA-N 1 2 340.431 2.170 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](C)CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001099732459 1371007595 /nfs/dbraw/zinc/00/75/95/1371007595.db2.gz BOFUESFMOTUSPD-GXTWGEPZSA-N 1 2 340.431 2.170 20 30 EEEDLO C[C@H]1CC(=NNCCC[NH+]2CCOCC2)C[N@H+](Cc2ccccc2)C1 ZINC000799489655 1371659221 /nfs/dbraw/zinc/65/92/21/1371659221.db2.gz YICRBOMKGOBIIM-SFHVURJKSA-N 1 2 344.503 2.196 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC001125215590 1372230476 /nfs/dbraw/zinc/23/04/76/1372230476.db2.gz GMWGENGDEBBHIF-OAHLLOKOSA-N 1 2 348.491 2.376 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000830189269 1372317651 /nfs/dbraw/zinc/31/76/51/1372317651.db2.gz DFUGKZQFMUDUGZ-MCIONIFRSA-N 1 2 325.453 2.007 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000830189269 1372317656 /nfs/dbraw/zinc/31/76/56/1372317656.db2.gz DFUGKZQFMUDUGZ-MCIONIFRSA-N 1 2 325.453 2.007 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000831249597 1372370688 /nfs/dbraw/zinc/37/06/88/1372370688.db2.gz XUWPXJDAHXVOMG-IRXDYDNUSA-N 1 2 344.455 2.156 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C 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/nfs/dbraw/zinc/80/02/59/1380800259.db2.gz RUWWHWUUNQJDHH-RYUDHWBXSA-N 1 2 333.270 2.025 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(-n2cccn2)ccn1 ZINC001379742396 1380857379 /nfs/dbraw/zinc/85/73/79/1380857379.db2.gz LSGYVEHWZKFBFI-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(-n2cccn2)ccn1 ZINC001379742396 1380857382 /nfs/dbraw/zinc/85/73/82/1380857382.db2.gz LSGYVEHWZKFBFI-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1csc2nccn12 ZINC001379794683 1380893702 /nfs/dbraw/zinc/89/37/02/1380893702.db2.gz WUJGTNISLPTKDC-NSHDSACASA-N 1 2 326.853 2.127 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1csc2nccn12 ZINC001379794683 1380893707 /nfs/dbraw/zinc/89/37/07/1380893707.db2.gz WUJGTNISLPTKDC-NSHDSACASA-N 1 2 326.853 2.127 20 30 EEEDLO CC(C)CCc1noc(C[NH+]2CCC(C)(NC(=O)[C@@H](C)C#N)CC2)n1 ZINC001380298284 1381161527 /nfs/dbraw/zinc/16/15/27/1381161527.db2.gz JYLZBXBTCANZAP-AWEZNQCLSA-N 1 2 347.463 2.289 20 30 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/nfs/dbraw/zinc/11/91/52/1395119152.db2.gz TVYTXAHQGWTNBS-UHFFFAOYSA-N 1 2 330.363 2.164 20 30 EEEDLO Cc1nc(C)c(C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)o1 ZINC001399460126 1395119158 /nfs/dbraw/zinc/11/91/58/1395119158.db2.gz TVYTXAHQGWTNBS-UHFFFAOYSA-N 1 2 330.363 2.164 20 30 EEEDLO CC#CCCCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nn(C)cc3Cl)C[C@H]21 ZINC001755428926 1407446237 /nfs/dbraw/zinc/44/62/37/1407446237.db2.gz ZLWDORYOHUBVIZ-QKDCVEJESA-N 1 2 348.878 2.061 20 30 EEEDLO CC#CCCCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nn(C)cc3Cl)C[C@H]21 ZINC001755428926 1407446241 /nfs/dbraw/zinc/44/62/41/1407446241.db2.gz ZLWDORYOHUBVIZ-QKDCVEJESA-N 1 2 348.878 2.061 20 30 EEEDLO N#CCSCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1OC1CC1 ZINC001754473349 1406915441 /nfs/dbraw/zinc/91/54/41/1406915441.db2.gz ISRKEMLKZZJXEM-HNNXBMFYSA-N 1 2 345.468 2.175 20 30 EEEDLO N#CCSCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1OC1CC1 ZINC001754473349 1406915444 /nfs/dbraw/zinc/91/54/44/1406915444.db2.gz ISRKEMLKZZJXEM-HNNXBMFYSA-N 1 2 345.468 2.175 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CCCc1nc(C)no1 ZINC001402736551 1398164451 /nfs/dbraw/zinc/16/44/51/1398164451.db2.gz NKLMDFPIUJKEIF-CQSZACIVSA-N 1 2 340.855 2.424 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCCc1nc(C)no1 ZINC001402736551 1398164454 /nfs/dbraw/zinc/16/44/54/1398164454.db2.gz NKLMDFPIUJKEIF-CQSZACIVSA-N 1 2 340.855 2.424 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H](F)Cc1ccccc1)O2 ZINC001755056488 1407063819 /nfs/dbraw/zinc/06/38/19/1407063819.db2.gz CXIXXPPOORMXTN-IAGOWNOFSA-N 1 2 332.419 2.103 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cccc(-n2cccn2)n1 ZINC001422562534 1400024618 /nfs/dbraw/zinc/02/46/18/1400024618.db2.gz LZJGCAGQPRKWFT-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cccc(-n2cccn2)n1 ZINC001422562534 1400024626 /nfs/dbraw/zinc/02/46/26/1400024626.db2.gz LZJGCAGQPRKWFT-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO CCO[C@H](CC)C(=O)NCc1ccc2c(c1)C[N@@H+](CC#CCOC)C2 ZINC001755101020 1407114247 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C=C(C)C(C)(C)C(=O)N1CCC(CC[N@H+](C)Cc2cnn[nH]2)CC1 ZINC001575038659 1403531293 /nfs/dbraw/zinc/53/12/93/1403531293.db2.gz FSMMBVVQYZSPCY-UHFFFAOYSA-N 1 2 333.480 2.468 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC(CC[N@H+](C)Cc2c[nH]nn2)CC1 ZINC001575038659 1403531300 /nfs/dbraw/zinc/53/13/00/1403531300.db2.gz FSMMBVVQYZSPCY-UHFFFAOYSA-N 1 2 333.480 2.468 20 30 EEEDLO C#CCCCC(=O)N1CCC([N@@H+](C)Cc2nnc(CC)s2)CC1 ZINC001755529302 1407593900 /nfs/dbraw/zinc/59/39/00/1407593900.db2.gz PLMAGJDXEOFCJO-UHFFFAOYSA-N 1 2 334.489 2.327 20 30 EEEDLO C#CCCCC(=O)N1CCC([N@H+](C)Cc2nnc(CC)s2)CC1 ZINC001755529302 1407593907 /nfs/dbraw/zinc/59/39/07/1407593907.db2.gz PLMAGJDXEOFCJO-UHFFFAOYSA-N 1 2 334.489 2.327 20 30 EEEDLO C[C@H](CN(C)C(=O)c1cccc2nn[nH]c21)[NH2+]CC#Cc1ccccc1 ZINC001755589040 1407659082 /nfs/dbraw/zinc/65/90/82/1407659082.db2.gz LJZIIVKWNQMNRZ-OAHLLOKOSA-N 1 2 347.422 2.060 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1nncn1C)CC2 ZINC001755702053 1407752109 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COc1nscc1C[N@@H+]1CC=C(CNC(=O)C#CC(C)(C)C)CC1 ZINC001755886857 1407947750 /nfs/dbraw/zinc/94/77/50/1407947750.db2.gz VJFIIGCBZVXVGD-UHFFFAOYSA-N 1 2 347.484 2.450 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001755927228 1408003100 /nfs/dbraw/zinc/00/31/00/1408003100.db2.gz YCUASXRNOHCGFU-KXBFYZLASA-N 1 2 346.475 2.394 20 30 EEEDLO C=CCCC(=O)N(C)CC(C)(C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001755987172 1408056620 /nfs/dbraw/zinc/05/66/20/1408056620.db2.gz GYVAHDLGHRVZMQ-HNNXBMFYSA-N 1 2 346.475 2.013 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001756584204 1409103998 /nfs/dbraw/zinc/10/39/98/1409103998.db2.gz RDNCXVGXJHBFAS-KGLIPLIRSA-N 1 2 326.400 2.020 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001756584201 1409104392 /nfs/dbraw/zinc/10/43/92/1409104392.db2.gz RDNCXVGXJHBFAS-KBPBESRZSA-N 1 2 326.400 2.020 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001756629109 1409161410 /nfs/dbraw/zinc/16/14/10/1409161410.db2.gz LXEYRJAVBXIHJN-UONOGXRCSA-N 1 2 332.448 2.050 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H](C)C[C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001756827891 1409376887 /nfs/dbraw/zinc/37/68/87/1409376887.db2.gz WFVCBJVMQAQDHD-GJZGRUSLSA-N 1 2 332.448 2.029 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001757256608 1409601191 /nfs/dbraw/zinc/60/11/91/1409601191.db2.gz ABKFGWCFGUCMRD-HUUCEWRRSA-N 1 2 340.427 2.458 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC[C@@]2(C1)CCCN(c1cc[nH+]c(C)n1)C2 ZINC001110456862 1410819436 /nfs/dbraw/zinc/81/94/36/1410819436.db2.gz NCSNAZXKIVAXKV-KXBFYZLASA-N 1 2 344.459 2.195 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nonc1C)C2 ZINC001111848672 1410852937 /nfs/dbraw/zinc/85/29/37/1410852937.db2.gz PCARRUOBWVRDEB-YEWWUXTCSA-N 1 2 332.448 2.451 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nonc1C)C2 ZINC001111848672 1410852945 /nfs/dbraw/zinc/85/29/45/1410852945.db2.gz PCARRUOBWVRDEB-YEWWUXTCSA-N 1 2 332.448 2.451 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCC1(Nc2nc(N(C)C)nc(C)[nH+]2)CCC1 ZINC001111883171 1410857195 /nfs/dbraw/zinc/85/71/95/1410857195.db2.gz WUBYWCZXJRDJHY-ZDUSSCGKSA-N 1 2 346.479 2.299 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCN(c2[nH+]cnc3c2cnn3C)C[C@H]1C ZINC001112424979 1410915357 /nfs/dbraw/zinc/91/53/57/1410915357.db2.gz WHBZWACZLNQPHO-HIFRSBDPSA-N 1 2 342.447 2.051 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCC(CC)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001069549082 1411058181 /nfs/dbraw/zinc/05/81/81/1411058181.db2.gz HCPUVUHVTOPKJU-HNNXBMFYSA-N 1 2 346.475 2.442 20 30 EEEDLO CC[C@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001212183128 790314968 /nfs/dbraw/zinc/31/49/68/790314968.db2.gz SKIAIXWZNMDDMS-MORSLUCNSA-N 1 2 347.434 2.449 20 30 EEEDLO CC[C@H](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001212183128 790314972 /nfs/dbraw/zinc/31/49/72/790314972.db2.gz SKIAIXWZNMDDMS-MORSLUCNSA-N 1 2 347.434 2.449 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)C(C)(C)C1(C)C)C2 ZINC001111514930 760015395 /nfs/dbraw/zinc/01/53/95/760015395.db2.gz DEOOFCOANVXKGB-KFWWJZLASA-N 1 2 347.503 2.082 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)C(C)(C)C1(C)C)C2 ZINC001111514930 760015406 /nfs/dbraw/zinc/01/54/06/760015406.db2.gz DEOOFCOANVXKGB-KFWWJZLASA-N 1 2 347.503 2.082 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(Cl)ccc3Cl)[C@H]2C1 ZINC001083257775 760968597 /nfs/dbraw/zinc/96/85/97/760968597.db2.gz UZNWHYABOBZPKJ-LSDHHAIUSA-N 1 2 339.222 2.152 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(Cl)ccc3Cl)[C@H]2C1 ZINC001083257775 760968604 /nfs/dbraw/zinc/96/86/04/760968604.db2.gz UZNWHYABOBZPKJ-LSDHHAIUSA-N 1 2 339.222 2.152 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(CC(C)C)cc3)[C@H]2C1 ZINC001083270580 761540331 /nfs/dbraw/zinc/54/03/31/761540331.db2.gz NSZGQDQSWHJEMW-RBUKOAKNSA-N 1 2 326.440 2.044 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(CC(C)C)cc3)[C@H]2C1 ZINC001083270580 761540339 /nfs/dbraw/zinc/54/03/39/761540339.db2.gz NSZGQDQSWHJEMW-RBUKOAKNSA-N 1 2 326.440 2.044 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4cc(C)ccc4o3)[C@H]2C1 ZINC001083283715 764966044 /nfs/dbraw/zinc/96/60/44/764966044.db2.gz PGYKOXRLNKGGEP-QFBILLFUSA-N 1 2 338.407 2.290 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4cc(C)ccc4o3)[C@H]2C1 ZINC001083283715 764966048 /nfs/dbraw/zinc/96/60/48/764966048.db2.gz PGYKOXRLNKGGEP-QFBILLFUSA-N 1 2 338.407 2.290 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001104786390 765284909 /nfs/dbraw/zinc/28/49/09/765284909.db2.gz IWNGTIBVSNKPGA-YVEFUNNKSA-N 1 2 330.436 2.224 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)[C@H](C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001104786427 765285455 /nfs/dbraw/zinc/28/54/55/765285455.db2.gz JZXLITHSRSPSPO-AUUYWEPGSA-N 1 2 345.491 2.326 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)[C@H](C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001104786427 765285459 /nfs/dbraw/zinc/28/54/59/765285459.db2.gz JZXLITHSRSPSPO-AUUYWEPGSA-N 1 2 345.491 2.326 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](n2cc(C[NH2+]C[C@H](F)CC)nn2)C1 ZINC001098711538 782670422 /nfs/dbraw/zinc/67/04/22/782670422.db2.gz WXIDQKZEJNFEFR-ZBFHGGJFSA-N 1 2 337.443 2.246 20 30 EEEDLO C[C@H](C[C@H](C)Nc1ccc(C#N)nn1)NC(=O)c1cccc2[nH+]ccn21 ZINC001089421122 768956909 /nfs/dbraw/zinc/95/69/09/768956909.db2.gz JBAFHTOPTTXBOP-QWHCGFSZSA-N 1 2 349.398 2.005 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCC[C@@H](C)CCC)C2)nn1 ZINC001105252390 769474300 /nfs/dbraw/zinc/47/43/00/769474300.db2.gz ONYMLCXLQPRBHC-INIZCTEOSA-N 1 2 345.491 2.381 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)C(C)C ZINC001105258317 769491769 /nfs/dbraw/zinc/49/17/69/769491769.db2.gz HHHKMVVRODJTHT-HUUCEWRRSA-N 1 2 348.495 2.401 20 30 EEEDLO CC(C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)Nc1ncc(C#N)cc1Cl ZINC001105294176 769607554 /nfs/dbraw/zinc/60/75/54/769607554.db2.gz NUKVVHFSSQURGI-AWEZNQCLSA-N 1 2 346.822 2.125 20 30 EEEDLO Cc1ccccc1CN(C)C(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000072001844 782770010 /nfs/dbraw/zinc/77/00/10/782770010.db2.gz WOWOZQAKQMCVOK-UHFFFAOYSA-N 1 2 325.412 2.485 20 30 EEEDLO CCO[C@H]1C[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001031565578 769719671 /nfs/dbraw/zinc/71/96/71/769719671.db2.gz OMCJFLPSUCPKMH-MSOLQXFVSA-N 1 2 346.858 2.165 20 30 EEEDLO C#CCCCCC(=O)NCC[NH2+]Cc1nc(-c2cccc(C)c2)no1 ZINC001125951425 769751646 /nfs/dbraw/zinc/75/16/46/769751646.db2.gz PGDSEPXDXJPYNZ-UHFFFAOYSA-N 1 2 340.427 2.444 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(C)o3)C[C@H]2C)CC1 ZINC000942599492 782821798 /nfs/dbraw/zinc/82/17/98/782821798.db2.gz AMHIWDQTGXANJI-CZUORRHYSA-N 1 2 332.448 2.451 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(C)o3)C[C@H]2C)CC1 ZINC000942599492 782821802 /nfs/dbraw/zinc/82/18/02/782821802.db2.gz AMHIWDQTGXANJI-CZUORRHYSA-N 1 2 332.448 2.451 20 30 EEEDLO CC(C)(C#N)CS(=O)(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000919808601 770315637 /nfs/dbraw/zinc/31/56/37/770315637.db2.gz TWTITPRTMUBWFO-OAHLLOKOSA-N 1 2 332.429 2.094 20 30 EEEDLO Cc1nscc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031624849 770414756 /nfs/dbraw/zinc/41/47/56/770414756.db2.gz RUCGVQGVXCUHNM-UHFFFAOYSA-N 1 2 344.415 2.324 20 30 EEEDLO C=CC(C)(C)C(=O)N(CCO)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001111538066 782854194 /nfs/dbraw/zinc/85/41/94/782854194.db2.gz ZDAJBHYPBOPDIX-UHFFFAOYSA-N 1 2 346.475 2.109 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001060743505 770668622 /nfs/dbraw/zinc/66/86/22/770668622.db2.gz HQGRJJJMQGTVEZ-QAQDUYKDSA-N 1 2 346.475 2.421 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)C1CCC(O)CC1 ZINC001027853508 773579772 /nfs/dbraw/zinc/57/97/72/773579772.db2.gz HNYDFOMMFMEKCL-ROKHWSDSSA-N 1 2 345.281 2.027 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CCC(O)CC1 ZINC001027853508 773579775 /nfs/dbraw/zinc/57/97/75/773579775.db2.gz HNYDFOMMFMEKCL-ROKHWSDSSA-N 1 2 345.281 2.027 20 30 EEEDLO CCN(CCNc1cccc(F)c1C#N)C(=O)CCn1cc[nH+]c1 ZINC001106904551 773905182 /nfs/dbraw/zinc/90/51/82/773905182.db2.gz XEGYBSUKZQATCS-UHFFFAOYSA-N 1 2 329.379 2.245 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(-n3cccn3)cc2)C1 ZINC001031732498 773977254 /nfs/dbraw/zinc/97/72/54/773977254.db2.gz OGNFIPMTCZMJPX-UHFFFAOYSA-N 1 2 330.819 2.286 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cn2cccn2)o1 ZINC001027899807 774159360 /nfs/dbraw/zinc/15/93/60/774159360.db2.gz BVKNMAPLFCSNBF-CQSZACIVSA-N 1 2 348.834 2.471 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cn2cccn2)o1 ZINC001027899807 774159363 /nfs/dbraw/zinc/15/93/63/774159363.db2.gz BVKNMAPLFCSNBF-CQSZACIVSA-N 1 2 348.834 2.471 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@H](NC(=O)CCC)CC[C@@H]2C)c1 ZINC001131746207 783163844 /nfs/dbraw/zinc/16/38/44/783163844.db2.gz AWLVJCSCPOUQDI-MAUKXSAKSA-N 1 2 341.455 2.376 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@H](NC(=O)CCC)CC[C@@H]2C)c1 ZINC001131746207 783163849 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/nfs/dbraw/zinc/72/65/02/787726502.db2.gz HIBHPJCBVPVXAD-QGZVFWFLSA-N 1 2 344.459 2.033 20 30 EEEDLO C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1)n1cccc1 ZINC001032356127 788210692 /nfs/dbraw/zinc/21/06/92/788210692.db2.gz NLJGXSJEIFCTSP-MNEFBYGVSA-N 1 2 334.423 2.406 20 30 EEEDLO C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1)n1cccc1 ZINC001032356127 788210697 /nfs/dbraw/zinc/21/06/97/788210697.db2.gz NLJGXSJEIFCTSP-MNEFBYGVSA-N 1 2 334.423 2.406 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2Cl)[C@H](O)C1 ZINC001090783327 788239038 /nfs/dbraw/zinc/23/90/38/788239038.db2.gz LULIPPMFDWLCJY-HUUCEWRRSA-N 1 2 343.254 2.186 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2Cl)[C@H](O)C1 ZINC001090783327 788239043 /nfs/dbraw/zinc/23/90/43/788239043.db2.gz LULIPPMFDWLCJY-HUUCEWRRSA-N 1 2 343.254 2.186 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCC3)[C@H](O)C1 ZINC001090793070 788293332 /nfs/dbraw/zinc/29/33/32/788293332.db2.gz HPKBMUCCLOOOTP-DLBZAZTESA-N 1 2 334.847 2.093 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCC3)[C@H](O)C1 ZINC001090793070 788293336 /nfs/dbraw/zinc/29/33/36/788293336.db2.gz HPKBMUCCLOOOTP-DLBZAZTESA-N 1 2 334.847 2.093 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)[C@H](O)C1 ZINC001090794719 788317886 /nfs/dbraw/zinc/31/78/86/788317886.db2.gz SGEZQYUMJYRJNY-GOEBONIOSA-N 1 2 333.819 2.085 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)[C@H](O)C1 ZINC001090794719 788317895 /nfs/dbraw/zinc/31/78/95/788317895.db2.gz SGEZQYUMJYRJNY-GOEBONIOSA-N 1 2 333.819 2.085 20 30 EEEDLO CCOC(=O)C1(C#N)CCN(Cc2c[nH+]c3c(C)cccn23)CC1 ZINC001136965955 788366474 /nfs/dbraw/zinc/36/64/74/788366474.db2.gz GRHZYFDGUGUAOE-UHFFFAOYSA-N 1 2 326.400 2.312 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(Cl)cn2CC)[C@@H](O)C1 ZINC001090818453 788423794 /nfs/dbraw/zinc/42/37/94/788423794.db2.gz OGAHLZUAHFLWCF-JSGCOSHPSA-N 1 2 346.258 2.079 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cn2CC)[C@@H](O)C1 ZINC001090818453 788423798 /nfs/dbraw/zinc/42/37/98/788423798.db2.gz OGAHLZUAHFLWCF-JSGCOSHPSA-N 1 2 346.258 2.079 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1OC ZINC001090931107 789035582 /nfs/dbraw/zinc/03/55/82/789035582.db2.gz RHNJFYSREJOKRY-HUUCEWRRSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC000844443991 789126689 /nfs/dbraw/zinc/12/66/89/789126689.db2.gz SLCTXNTUTWWBJI-CQSZACIVSA-N 1 2 326.437 2.341 20 30 EEEDLO N#Cc1cncc(C[N@@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)c1 ZINC001144075091 789210574 /nfs/dbraw/zinc/21/05/74/789210574.db2.gz JCYJRFLWAAINHD-YQVWRLOYSA-N 1 2 336.395 2.159 20 30 EEEDLO N#Cc1cncc(C[N@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)c1 ZINC001144075091 789210578 /nfs/dbraw/zinc/21/05/78/789210578.db2.gz JCYJRFLWAAINHD-YQVWRLOYSA-N 1 2 336.395 2.159 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)CC(F)(F)F)CC2)C1 ZINC001105721856 789251635 /nfs/dbraw/zinc/25/16/35/789251635.db2.gz NIZWYHRNMVCKAW-LBPRGKRZSA-N 1 2 334.382 2.453 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCO[C@@H](C)CC(C)C)C1 ZINC001107939479 789499703 /nfs/dbraw/zinc/49/97/03/789499703.db2.gz CRFVHXBDSFIOOM-HKUYNNGSSA-N 1 2 338.492 2.058 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCO[C@@H](C)CC(C)C)C1 ZINC001107939479 789499710 /nfs/dbraw/zinc/49/97/10/789499710.db2.gz CRFVHXBDSFIOOM-HKUYNNGSSA-N 1 2 338.492 2.058 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)C1 ZINC000923590982 789824890 /nfs/dbraw/zinc/82/48/90/789824890.db2.gz KJBPMMDRBSOGDG-AWEZNQCLSA-N 1 2 341.455 2.306 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)C1 ZINC000923590982 789824894 /nfs/dbraw/zinc/82/48/94/789824894.db2.gz KJBPMMDRBSOGDG-AWEZNQCLSA-N 1 2 341.455 2.306 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)CCC(=O)c2ccc3c(c2)CCC3)C1 ZINC000923592890 789829631 /nfs/dbraw/zinc/82/96/31/789829631.db2.gz WEZSTKFMUYRXLQ-LJQANCHMSA-N 1 2 338.451 2.352 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCC(=O)c2ccc3c(c2)CCC3)C1 ZINC000923592890 789829638 /nfs/dbraw/zinc/82/96/38/789829638.db2.gz WEZSTKFMUYRXLQ-LJQANCHMSA-N 1 2 338.451 2.352 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001112109513 789948955 /nfs/dbraw/zinc/94/89/55/789948955.db2.gz SQPAWTOSHOARAI-ZIAGYGMSSA-N 1 2 344.381 2.255 20 30 EEEDLO C=C1CCC(C(=O)NCC2CC([NH2+]Cc3noc(CC)n3)C2)CC1 ZINC001091213466 790134502 /nfs/dbraw/zinc/13/45/02/790134502.db2.gz OBFQVZBVWOGWHL-UHFFFAOYSA-N 1 2 332.448 2.363 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(C)(F)F)CC2(CCOCC2)C1 ZINC001089918524 790215754 /nfs/dbraw/zinc/21/57/54/790215754.db2.gz OTDZZHXRKLULNQ-GFCCVEGCSA-N 1 2 336.810 2.381 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(C)(F)F)CC2(CCOCC2)C1 ZINC001089918524 790215758 /nfs/dbraw/zinc/21/57/58/790215758.db2.gz OTDZZHXRKLULNQ-GFCCVEGCSA-N 1 2 336.810 2.381 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)NC1(CNC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001063511505 791192036 /nfs/dbraw/zinc/19/20/36/791192036.db2.gz QZXUOJDOUKPRNK-HZPDHXFCSA-N 1 2 346.475 2.277 20 30 EEEDLO Cc1nc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)cs1 ZINC001032585121 791726972 /nfs/dbraw/zinc/72/69/72/791726972.db2.gz VATJCTIFOXCCGE-HOTGVXAUSA-N 1 2 338.436 2.422 20 30 EEEDLO Cc1nc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)cs1 ZINC001032585121 791726977 /nfs/dbraw/zinc/72/69/77/791726977.db2.gz VATJCTIFOXCCGE-HOTGVXAUSA-N 1 2 338.436 2.422 20 30 EEEDLO C=CCOc1cccnc1C(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001147282730 791781101 /nfs/dbraw/zinc/78/11/01/791781101.db2.gz BFXWHDOLRLOEKY-UHFFFAOYSA-N 1 2 342.399 2.031 20 30 EEEDLO N#Cc1ccc(NCC[C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)nc1 ZINC001063837678 791812413 /nfs/dbraw/zinc/81/24/13/791812413.db2.gz DOIXCRPBRVZFLJ-OAHLLOKOSA-N 1 2 338.415 2.102 20 30 EEEDLO N#CCOc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cscn2)cc1 ZINC001038094833 792110327 /nfs/dbraw/zinc/11/03/27/792110327.db2.gz HTKAYFOUFWGHMF-CQSZACIVSA-N 1 2 342.424 2.050 20 30 EEEDLO N#CCOc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cscn2)cc1 ZINC001038094833 792110342 /nfs/dbraw/zinc/11/03/42/792110342.db2.gz HTKAYFOUFWGHMF-CQSZACIVSA-N 1 2 342.424 2.050 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(F)c2)c1 ZINC001032617103 792404941 /nfs/dbraw/zinc/40/49/41/792404941.db2.gz LPAWELZDCXIHCA-OALUTQOASA-N 1 2 335.382 2.301 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(F)c2)c1 ZINC001032617103 792404947 /nfs/dbraw/zinc/40/49/47/792404947.db2.gz LPAWELZDCXIHCA-OALUTQOASA-N 1 2 335.382 2.301 20 30 EEEDLO Cc1nc(NC[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001064165368 792527497 /nfs/dbraw/zinc/52/74/97/792527497.db2.gz ZLTURDCQBOFDOJ-XJKSGUPXSA-N 1 2 338.415 2.386 20 30 EEEDLO CC[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@@H]1Nc1cc[nH+]c(C)n1 ZINC001064390898 792945624 /nfs/dbraw/zinc/94/56/24/792945624.db2.gz XKGRZUMVTBYVPY-GJZGRUSLSA-N 1 2 338.415 2.338 20 30 EEEDLO CC[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1Nc1cc[nH+]c(C)n1 ZINC001064395423 793025972 /nfs/dbraw/zinc/02/59/72/793025972.db2.gz KNQJWQODLDGFQN-UKRRQHHQSA-N 1 2 338.415 2.338 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H](C)[C@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001089177362 793111201 /nfs/dbraw/zinc/11/12/01/793111201.db2.gz MANYLJYIJRVOLW-UKRRQHHQSA-N 1 2 346.479 2.109 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1csc(C)n1)C2 ZINC001098341438 793142142 /nfs/dbraw/zinc/14/21/42/793142142.db2.gz XZBOOFGWUMZSBV-MCIONIFRSA-N 1 2 325.865 2.468 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1csc(C)n1)C2 ZINC001098341438 793142145 /nfs/dbraw/zinc/14/21/45/793142145.db2.gz XZBOOFGWUMZSBV-MCIONIFRSA-N 1 2 325.865 2.468 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CCN(c3cc[nH+]c(C)n3)C[C@H]2C1 ZINC001091851623 793324370 /nfs/dbraw/zinc/32/43/70/793324370.db2.gz RUTKJWPYBFYPJI-OIISXLGYSA-N 1 2 344.459 2.051 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NCC1(Nc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001110124452 793352017 /nfs/dbraw/zinc/35/20/17/793352017.db2.gz OVFYYHUDTFZJCW-QGZVFWFLSA-N 1 2 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Cc1nnccc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)[C@H]1C ZINC000993546980 796798324 /nfs/dbraw/zinc/79/83/24/796798324.db2.gz KSIAYEURVSJXCQ-HNAYVOBHSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1nnccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@H]1C ZINC000993546980 796798327 /nfs/dbraw/zinc/79/83/27/796798327.db2.gz KSIAYEURVSJXCQ-HNAYVOBHSA-N 1 2 349.438 2.440 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cnco2)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000993650210 796873335 /nfs/dbraw/zinc/87/33/35/796873335.db2.gz XEIATTASFBYNDA-BLLLJJGKSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cnco2)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000993650210 796873340 /nfs/dbraw/zinc/87/33/40/796873340.db2.gz XEIATTASFBYNDA-BLLLJJGKSA-N 1 2 342.374 2.468 20 30 EEEDLO Cc1nc(NCCCCCCNC(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001094940489 797061489 /nfs/dbraw/zinc/06/14/89/797061489.db2.gz YKCMCDZUWIEMJJ-UHFFFAOYSA-N 1 2 326.404 2.387 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)[C@H]2C)n1 ZINC000993947865 797186493 /nfs/dbraw/zinc/18/64/93/797186493.db2.gz BCLRZVGRBDBLDD-YOEHRIQHSA-N 1 2 337.427 2.373 20 30 EEEDLO Cc1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)[C@H]2C)n1 ZINC000993947865 797186494 /nfs/dbraw/zinc/18/64/94/797186494.db2.gz BCLRZVGRBDBLDD-YOEHRIQHSA-N 1 2 337.427 2.373 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccncc1)C2 ZINC001095102657 797353460 /nfs/dbraw/zinc/35/34/60/797353460.db2.gz TZZUSRWKTSIVJT-QYZOEREBSA-N 1 2 332.407 2.489 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccncc1)C2 ZINC001095102657 797353467 /nfs/dbraw/zinc/35/34/67/797353467.db2.gz TZZUSRWKTSIVJT-QYZOEREBSA-N 1 2 332.407 2.489 20 30 EEEDLO C=C(C)CCC(=O)N(CC)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106861653 797451900 /nfs/dbraw/zinc/45/19/00/797451900.db2.gz PAEYKTOATHUTPT-UHFFFAOYSA-N 1 2 331.464 2.081 20 30 EEEDLO C=C(C)CCC(=O)N(CC)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106861653 797451903 /nfs/dbraw/zinc/45/19/03/797451903.db2.gz PAEYKTOATHUTPT-UHFFFAOYSA-N 1 2 331.464 2.081 20 30 EEEDLO Cc1nsc(N[C@@H](C)C[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)c1C#N ZINC001089359112 797524530 /nfs/dbraw/zinc/52/45/30/797524530.db2.gz OYBCGTUTPNFPCS-UWVGGRQHSA-N 1 2 346.460 2.293 20 30 EEEDLO Cc1nsc(N[C@H](C)C[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)c1C#N ZINC001089359115 797525511 /nfs/dbraw/zinc/52/55/11/797525511.db2.gz OYBCGTUTPNFPCS-VHSXEESVSA-N 1 2 346.460 2.293 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(F)ccc2CC)[C@H](O)C1 ZINC001090391559 797767629 /nfs/dbraw/zinc/76/76/29/797767629.db2.gz DKSIUWHXAUAJME-JKSUJKDBSA-N 1 2 340.826 2.306 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2CC)[C@H](O)C1 ZINC001090391559 797767632 /nfs/dbraw/zinc/76/76/32/797767632.db2.gz DKSIUWHXAUAJME-JKSUJKDBSA-N 1 2 340.826 2.306 20 30 EEEDLO CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083001826 797800959 /nfs/dbraw/zinc/80/09/59/797800959.db2.gz GKLCQJGGOUNGRA-RBUKOAKNSA-N 1 2 340.467 2.386 20 30 EEEDLO CC(C)(C)CC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083001826 797800965 /nfs/dbraw/zinc/80/09/65/797800965.db2.gz GKLCQJGGOUNGRA-RBUKOAKNSA-N 1 2 340.467 2.386 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(C)n([C@H](C)C3CC3)n2)C1 ZINC001108042402 797834515 /nfs/dbraw/zinc/83/45/15/797834515.db2.gz NPIWPZGWQIVGBS-DNVCBOLYSA-N 1 2 346.475 2.169 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(C)n([C@H](C)C3CC3)n2)C1 ZINC001108042402 797834520 /nfs/dbraw/zinc/83/45/20/797834520.db2.gz NPIWPZGWQIVGBS-DNVCBOLYSA-N 1 2 346.475 2.169 20 30 EEEDLO C/C=C(/C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001083043680 797837001 /nfs/dbraw/zinc/83/70/01/797837001.db2.gz LPLFTVBDBVJGDG-ZAYZHACPSA-N 1 2 343.402 2.075 20 30 EEEDLO C/C=C(/C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC001083043680 797837008 /nfs/dbraw/zinc/83/70/08/797837008.db2.gz LPLFTVBDBVJGDG-ZAYZHACPSA-N 1 2 343.402 2.075 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)c(Cl)cc3C)[C@H]2C1 ZINC001083161324 797903461 /nfs/dbraw/zinc/90/34/61/797903461.db2.gz XARRWOCRMUOHMP-DLBZAZTESA-N 1 2 332.831 2.115 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)c(Cl)cc3C)[C@H]2C1 ZINC001083161324 797903464 /nfs/dbraw/zinc/90/34/64/797903464.db2.gz XARRWOCRMUOHMP-DLBZAZTESA-N 1 2 332.831 2.115 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(P(C)(C)=O)cc2)[C@@H]1C ZINC000994443341 797991867 /nfs/dbraw/zinc/99/18/67/797991867.db2.gz RJSCTYGBJKQULN-YOEHRIQHSA-N 1 2 332.384 2.151 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(P(C)(C)=O)cc2)[C@@H]1C ZINC000994443341 797991869 /nfs/dbraw/zinc/99/18/69/797991869.db2.gz RJSCTYGBJKQULN-YOEHRIQHSA-N 1 2 332.384 2.151 20 30 EEEDLO CC[C@@H](OC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084226321 798088071 /nfs/dbraw/zinc/08/80/71/798088071.db2.gz NVLRBCCERWEVJU-KZNAEPCWSA-N 1 2 327.428 2.016 20 30 EEEDLO CC[C@@H](OC)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084226321 798088078 /nfs/dbraw/zinc/08/80/78/798088078.db2.gz NVLRBCCERWEVJU-KZNAEPCWSA-N 1 2 327.428 2.016 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001060688883 798092268 /nfs/dbraw/zinc/09/22/68/798092268.db2.gz OFLRNVJVCNDPRD-QAQDUYKDSA-N 1 2 346.475 2.421 20 30 EEEDLO O=C(c1ccc(F)cn1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084295830 798108502 /nfs/dbraw/zinc/10/85/02/798108502.db2.gz NDKHRDONDTZSKM-YLJYHZDGSA-N 1 2 349.409 2.419 20 30 EEEDLO O=C(c1ccc(F)cn1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084295830 798108504 /nfs/dbraw/zinc/10/85/04/798108504.db2.gz NDKHRDONDTZSKM-YLJYHZDGSA-N 1 2 349.409 2.419 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c(C)nn(C)c4s3)[C@@H]2C1 ZINC001084560496 798284128 /nfs/dbraw/zinc/28/41/28/798284128.db2.gz UURSTQZMVUAYDR-UKRRQHHQSA-N 1 2 342.468 2.113 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c(C)nn(C)c4s3)[C@@H]2C1 ZINC001084560496 798284132 /nfs/dbraw/zinc/28/41/32/798284132.db2.gz UURSTQZMVUAYDR-UKRRQHHQSA-N 1 2 342.468 2.113 20 30 EEEDLO CC[C@@H](F)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084579694 798288714 /nfs/dbraw/zinc/28/87/14/798288714.db2.gz ZEYDFIRAFRNDSY-FRFSOERESA-N 1 2 333.382 2.478 20 30 EEEDLO CC[C@@H](F)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]21 ZINC001084579694 798288715 /nfs/dbraw/zinc/28/87/15/798288715.db2.gz ZEYDFIRAFRNDSY-FRFSOERESA-N 1 2 333.382 2.478 20 30 EEEDLO C=CCn1nnn(C[N@H+]2CC[C@H](c3ccc(OC)cc3)C2)c1=S ZINC000154551071 798390354 /nfs/dbraw/zinc/39/03/54/798390354.db2.gz AUJWEODJEZZORK-AWEZNQCLSA-N 1 2 331.445 2.451 20 30 EEEDLO C=CCn1nnn(C[N@@H+]2CC[C@H](c3ccc(OC)cc3)C2)c1=S ZINC000154551071 798390360 /nfs/dbraw/zinc/39/03/60/798390360.db2.gz AUJWEODJEZZORK-AWEZNQCLSA-N 1 2 331.445 2.451 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c4cccnc34)[C@@H]2C1 ZINC001084776614 798446812 /nfs/dbraw/zinc/44/68/12/798446812.db2.gz KMJNUHHMBLFPRL-IUODEOHRSA-N 1 2 330.819 2.462 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c4cccnc34)[C@@H]2C1 ZINC001084776614 798446815 /nfs/dbraw/zinc/44/68/15/798446815.db2.gz KMJNUHHMBLFPRL-IUODEOHRSA-N 1 2 330.819 2.462 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[C@H](Nc3cc[nH+]c(C)n3)C2)c1 ZINC001061132501 798515033 /nfs/dbraw/zinc/51/50/33/798515033.db2.gz CFZJVXUXYZTFKY-DLBZAZTESA-N 1 2 335.411 2.314 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2c(C)cccc2Cl)C1 ZINC001108051016 798635585 /nfs/dbraw/zinc/63/55/85/798635585.db2.gz CGGKEWPTPCHDBX-IBGZPJMESA-N 1 2 348.874 2.421 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2c(C)cccc2Cl)C1 ZINC001108051016 798635589 /nfs/dbraw/zinc/63/55/89/798635589.db2.gz CGGKEWPTPCHDBX-IBGZPJMESA-N 1 2 348.874 2.421 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CCCC3)C[C@@H]21 ZINC001177055688 798719610 /nfs/dbraw/zinc/71/96/10/798719610.db2.gz RAXKKVFHCLOYSJ-DLBZAZTESA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C)CCCC3)C[C@@H]21 ZINC001177055688 798719614 /nfs/dbraw/zinc/71/96/14/798719614.db2.gz RAXKKVFHCLOYSJ-DLBZAZTESA-N 1 2 336.476 2.071 20 30 EEEDLO C#CCCCCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCOCC=C)[C@H]2C1 ZINC001177060016 798720873 /nfs/dbraw/zinc/72/08/73/798720873.db2.gz ACPFCLVYKUVCSI-OALUTQOASA-N 1 2 348.487 2.074 20 30 EEEDLO C#CCCCCCC(=O)N1CC[C@@H]2OCC[N@H+](CCOCC=C)[C@H]2C1 ZINC001177060016 798720880 /nfs/dbraw/zinc/72/08/80/798720880.db2.gz ACPFCLVYKUVCSI-OALUTQOASA-N 1 2 348.487 2.074 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC4(CCC4)C3)C[C@@H]21 ZINC001177080126 798732112 /nfs/dbraw/zinc/73/21/12/798732112.db2.gz JRSZDJXNBYJMDP-ROUUACIJSA-N 1 2 348.487 2.071 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)C3CC4(CCC4)C3)C[C@@H]21 ZINC001177080126 798732114 /nfs/dbraw/zinc/73/21/14/798732114.db2.gz JRSZDJXNBYJMDP-ROUUACIJSA-N 1 2 348.487 2.071 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(CCOC)CCC3)C[C@@H]21 ZINC001177139907 798766967 /nfs/dbraw/zinc/76/69/67/798766967.db2.gz VRWCGIGHDWMGEC-DLBZAZTESA-N 1 2 336.476 2.071 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(CCOC)CCC3)C[C@@H]21 ZINC001177139907 798766972 /nfs/dbraw/zinc/76/69/72/798766972.db2.gz VRWCGIGHDWMGEC-DLBZAZTESA-N 1 2 336.476 2.071 20 30 EEEDLO C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)C2=CCCC2)C1 ZINC001177520117 799000147 /nfs/dbraw/zinc/00/01/47/799000147.db2.gz CTXVRSCETDXNNT-UHFFFAOYSA-N 1 2 338.451 2.196 20 30 EEEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)Cc1ccnc(C#N)c1 ZINC001177668431 799067120 /nfs/dbraw/zinc/06/71/20/799067120.db2.gz QAVRLMYZZGLVOY-UHFFFAOYSA-N 1 2 331.379 2.340 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCC)C2)CC1 ZINC001065683299 799340801 /nfs/dbraw/zinc/34/08/01/799340801.db2.gz XPZNLPCJMVJBNX-IRXDYDNUSA-N 1 2 335.492 2.134 20 30 EEEDLO C=C(C)CCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC3(C)CC3)C2)CC1 ZINC001065706331 799355662 /nfs/dbraw/zinc/35/56/62/799355662.db2.gz JPNBPSSHFHDPCI-QGZVFWFLSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CCC3(C)C)CC2)C1 ZINC001065695397 799374676 /nfs/dbraw/zinc/37/46/76/799374676.db2.gz UWWZPCIYIRKLQD-SJORKVTESA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C=C(CC)CC)C2)CC1 ZINC001065700488 799389517 /nfs/dbraw/zinc/38/95/17/799389517.db2.gz SWWDZFQENYQGIA-GOSISDBHSA-N 1 2 347.503 2.444 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CCC3CC3)CC2)C1 ZINC001065712257 799410920 /nfs/dbraw/zinc/41/09/20/799410920.db2.gz WBDVBSJDBGOFLO-GOSISDBHSA-N 1 2 347.503 2.278 20 30 EEEDLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1c(C#N)c(CC#N)nn1-c1ccccc1 ZINC001178691302 799586209 /nfs/dbraw/zinc/58/62/09/799586209.db2.gz MYTSVNREWPFJJR-KRWDZBQOSA-N 1 2 348.410 2.233 20 30 EEEDLO C[N@H+]1CCCC[C@H]1C(=O)Nc1c(C#N)c(CC#N)nn1-c1ccccc1 ZINC001178691302 799586213 /nfs/dbraw/zinc/58/62/13/799586213.db2.gz MYTSVNREWPFJJR-KRWDZBQOSA-N 1 2 348.410 2.233 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2ncc(C(C)C)o2)CC1 ZINC001003651887 799946415 /nfs/dbraw/zinc/94/64/15/799946415.db2.gz JDKJQFCDTILXSO-CVEARBPZSA-N 1 2 347.459 2.470 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001066257840 800515584 /nfs/dbraw/zinc/51/55/84/800515584.db2.gz FSZKUUWTZLKIRR-HZPDHXFCSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001066257840 800515587 /nfs/dbraw/zinc/51/55/87/800515587.db2.gz FSZKUUWTZLKIRR-HZPDHXFCSA-N 1 2 346.475 2.442 20 30 EEEDLO Cc1nn(C)cc1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085520291 800691601 /nfs/dbraw/zinc/69/16/01/800691601.db2.gz JODZOVKIVSLCIG-ZDUSSCGKSA-N 1 2 343.456 2.008 20 30 EEEDLO Cc1nn(C)cc1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085520291 800691603 /nfs/dbraw/zinc/69/16/03/800691603.db2.gz JODZOVKIVSLCIG-ZDUSSCGKSA-N 1 2 343.456 2.008 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1CCCCO1 ZINC001085546211 800745302 /nfs/dbraw/zinc/74/53/02/800745302.db2.gz VOLJCSCXEFMNBY-OALUTQOASA-N 1 2 326.440 2.140 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)[C@@H]1CCCCO1 ZINC001085546211 800745306 /nfs/dbraw/zinc/74/53/06/800745306.db2.gz VOLJCSCXEFMNBY-OALUTQOASA-N 1 2 326.440 2.140 20 30 EEEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001033019928 800828848 /nfs/dbraw/zinc/82/88/48/800828848.db2.gz LFYMDVYRXDBBCS-HNNXBMFYSA-N 1 2 343.818 2.281 20 30 EEEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001033019928 800828853 /nfs/dbraw/zinc/82/88/53/800828853.db2.gz LFYMDVYRXDBBCS-HNNXBMFYSA-N 1 2 343.818 2.281 20 30 EEEDLO CN(C(=O)C1=CCOCC1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033032681 801013923 /nfs/dbraw/zinc/01/39/23/801013923.db2.gz LHYOXNRYDYZGST-SFHVURJKSA-N 1 2 343.402 2.077 20 30 EEEDLO CN(C(=O)C1=CCOCC1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033032681 801013928 /nfs/dbraw/zinc/01/39/28/801013928.db2.gz LHYOXNRYDYZGST-SFHVURJKSA-N 1 2 343.402 2.077 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]ccc2C)C1 ZINC001033052697 801156394 /nfs/dbraw/zinc/15/63/94/801156394.db2.gz SULBAFQBHCUTKX-GFCCVEGCSA-N 1 2 326.238 2.378 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)c2[nH]ccc2C)C1 ZINC001033052697 801156388 /nfs/dbraw/zinc/15/63/88/801156388.db2.gz SULBAFQBHCUTKX-GFCCVEGCSA-N 1 2 326.238 2.378 20 30 EEEDLO C=CCOCC(=O)N1CCC2(CC1)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001112642583 806896861 /nfs/dbraw/zinc/89/68/61/806896861.db2.gz XCSQLSHOQHWGOZ-UHFFFAOYSA-N 1 2 344.459 2.197 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)c(F)c2)O1 ZINC001085826347 801367830 /nfs/dbraw/zinc/36/78/30/801367830.db2.gz MLCWDAPZLWVQKG-RPVQJOFSSA-N 1 2 345.418 2.298 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)c(F)c2)O1 ZINC001085826347 801367840 /nfs/dbraw/zinc/36/78/40/801367840.db2.gz MLCWDAPZLWVQKG-RPVQJOFSSA-N 1 2 345.418 2.298 20 30 EEEDLO CN(C(=O)[C@H]1CC1(F)F)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033063497 801372900 /nfs/dbraw/zinc/37/29/00/801372900.db2.gz BUOGBCOHDWFFTD-LSDHHAIUSA-N 1 2 337.345 2.385 20 30 EEEDLO CN(C(=O)[C@H]1CC1(F)F)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033063497 801372906 /nfs/dbraw/zinc/37/29/06/801372906.db2.gz BUOGBCOHDWFFTD-LSDHHAIUSA-N 1 2 337.345 2.385 20 30 EEEDLO Cc1nc(C)c(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)[nH]1 ZINC001085823268 801374261 /nfs/dbraw/zinc/37/42/61/801374261.db2.gz DTNHAPGGJKHBCL-CYBMUJFWSA-N 1 2 343.456 2.306 20 30 EEEDLO Cc1nc(C)c(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)[nH]1 ZINC001085823268 801374266 /nfs/dbraw/zinc/37/42/66/801374266.db2.gz DTNHAPGGJKHBCL-CYBMUJFWSA-N 1 2 343.456 2.306 20 30 EEEDLO Cc1c[nH]c(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(C#N)c(F)c2)n1 ZINC001085864969 801490309 /nfs/dbraw/zinc/49/03/09/801490309.db2.gz PJQNHZMYSBOZAJ-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1c[nH]c(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(C#N)c(F)c2)n1 ZINC001085864969 801490313 /nfs/dbraw/zinc/49/03/13/801490313.db2.gz PJQNHZMYSBOZAJ-OAHLLOKOSA-N 1 2 341.390 2.075 20 30 EEEDLO C#CCC1(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C(C)C)o3)C2)CCC1 ZINC001183185739 801502337 /nfs/dbraw/zinc/50/23/37/801502337.db2.gz SJWRBZWEPMWPQS-CQSZACIVSA-N 1 2 330.432 2.077 20 30 EEEDLO C[C@H](CCCCNc1ccc(C#N)nc1)NC(=O)Cc1c[nH+]cn1C ZINC001090098950 801571530 /nfs/dbraw/zinc/57/15/30/801571530.db2.gz CTZHDTYKQMPDTA-CQSZACIVSA-N 1 2 340.431 2.016 20 30 EEEDLO N#Cc1cc(N)c(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cc1C#N ZINC001183753757 801740321 /nfs/dbraw/zinc/74/03/21/801740321.db2.gz UFOGPQVFGVEURK-GOSISDBHSA-N 1 2 331.379 2.225 20 30 EEEDLO N#Cc1cc(N)c(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cc1C#N ZINC001183753757 801740323 /nfs/dbraw/zinc/74/03/23/801740323.db2.gz UFOGPQVFGVEURK-GOSISDBHSA-N 1 2 331.379 2.225 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc3cccnc3n2)CC1 ZINC001004442336 802053698 /nfs/dbraw/zinc/05/36/98/802053698.db2.gz LRSDMLZZTJKHBY-GOSISDBHSA-N 1 2 349.438 2.470 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc3cccnc3n2)CC1 ZINC001004442336 802053705 /nfs/dbraw/zinc/05/37/05/802053705.db2.gz LRSDMLZZTJKHBY-GOSISDBHSA-N 1 2 349.438 2.470 20 30 EEEDLO C[C@]1(CNC(=O)[C@H]2CC23CC3)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108240422 802063371 /nfs/dbraw/zinc/06/33/71/802063371.db2.gz HWXQQONEDATQGD-MJGOQNOKSA-N 1 2 339.439 2.065 20 30 EEEDLO C[C@]1(CNC(=O)[C@H]2CC23CC3)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108240422 802063379 /nfs/dbraw/zinc/06/33/79/802063379.db2.gz HWXQQONEDATQGD-MJGOQNOKSA-N 1 2 339.439 2.065 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001108073401 802107069 /nfs/dbraw/zinc/10/70/69/802107069.db2.gz KFSCUSFRWVNPBY-GOSISDBHSA-N 1 2 334.847 2.492 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001108073401 802107074 /nfs/dbraw/zinc/10/70/74/802107074.db2.gz KFSCUSFRWVNPBY-GOSISDBHSA-N 1 2 334.847 2.492 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2nccc3cccnc32)CC1 ZINC001004456291 802115579 /nfs/dbraw/zinc/11/55/79/802115579.db2.gz DDIHWRNBUOETBB-QGZVFWFLSA-N 1 2 349.438 2.470 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2nccc3cccnc32)CC1 ZINC001004456291 802115584 /nfs/dbraw/zinc/11/55/84/802115584.db2.gz DDIHWRNBUOETBB-QGZVFWFLSA-N 1 2 349.438 2.470 20 30 EEEDLO N#Cc1ccc(NC(=O)N2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC001184733026 802165003 /nfs/dbraw/zinc/16/50/03/802165003.db2.gz MSVVFFHKSCFMOS-UHFFFAOYSA-N 1 2 335.411 2.345 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC001004489081 802195228 /nfs/dbraw/zinc/19/52/28/802195228.db2.gz LPGJIGZIWJMMIK-SCTDSRPQSA-N 1 2 331.460 2.172 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC001004489081 802195235 /nfs/dbraw/zinc/19/52/35/802195235.db2.gz LPGJIGZIWJMMIK-SCTDSRPQSA-N 1 2 331.460 2.172 20 30 EEEDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1CNCC#N ZINC001184883234 802224692 /nfs/dbraw/zinc/22/46/92/802224692.db2.gz SINJUWVPYKCUKI-NVXWUHKLSA-N 1 2 337.427 2.084 20 30 EEEDLO C[C@H](Oc1cccnc1)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004542589 802337315 /nfs/dbraw/zinc/33/73/15/802337315.db2.gz MKLFGGSVQMROLL-MAUKXSAKSA-N 1 2 342.443 2.075 20 30 EEEDLO C[C@H](Oc1cccnc1)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004542589 802337326 /nfs/dbraw/zinc/33/73/26/802337326.db2.gz MKLFGGSVQMROLL-MAUKXSAKSA-N 1 2 342.443 2.075 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ocnc2C(F)F)CC1 ZINC001004540163 802358452 /nfs/dbraw/zinc/35/84/52/802358452.db2.gz BVASWGBGXLGILO-LBPRGKRZSA-N 1 2 338.358 2.452 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ocnc2C(F)F)CC1 ZINC001004540163 802358460 /nfs/dbraw/zinc/35/84/60/802358460.db2.gz BVASWGBGXLGILO-LBPRGKRZSA-N 1 2 338.358 2.452 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(CC)s2)[C@@H](O)C1 ZINC001090405976 802376579 /nfs/dbraw/zinc/37/65/79/802376579.db2.gz ACKHTDWJQKGEJF-OLZOCXBDSA-N 1 2 328.865 2.228 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC)s2)[C@@H](O)C1 ZINC001090405976 802376587 /nfs/dbraw/zinc/37/65/87/802376587.db2.gz ACKHTDWJQKGEJF-OLZOCXBDSA-N 1 2 328.865 2.228 20 30 EEEDLO CC(C)c1nn(C)cc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004621881 802483160 /nfs/dbraw/zinc/48/31/60/802483160.db2.gz KSJBRCVOUDTEBR-KRWDZBQOSA-N 1 2 343.475 2.384 20 30 EEEDLO CC(C)c1nn(C)cc1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004621881 802483162 /nfs/dbraw/zinc/48/31/62/802483162.db2.gz KSJBRCVOUDTEBR-KRWDZBQOSA-N 1 2 343.475 2.384 20 30 EEEDLO Cc1noc(C)c1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004619987 802498013 /nfs/dbraw/zinc/49/80/13/802498013.db2.gz FAYPBAHCJWHSBU-KRWDZBQOSA-N 1 2 330.432 2.061 20 30 EEEDLO Cc1noc(C)c1CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004619987 802498016 /nfs/dbraw/zinc/49/80/16/802498016.db2.gz FAYPBAHCJWHSBU-KRWDZBQOSA-N 1 2 330.432 2.061 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CCC1 ZINC001066506933 802821573 /nfs/dbraw/zinc/82/15/73/802821573.db2.gz NGVFIUMDPPXCTP-OAHLLOKOSA-N 1 2 344.459 2.196 20 30 EEEDLO CCCc1nc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C#CC2CC2)no1 ZINC001004854567 803086182 /nfs/dbraw/zinc/08/61/82/803086182.db2.gz PMMPSZYXIHUPCI-GDBMZVCRSA-N 1 2 344.459 2.295 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)c2[nH]nc3c2C[C@@H](C)CC3)C1 ZINC001086522289 803234442 /nfs/dbraw/zinc/23/44/42/803234442.db2.gz QBOOGWSGIUKYGT-DRZSPHRISA-N 1 2 336.867 2.385 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H]2OCCc3ccccc32)C1 ZINC001108351592 803352127 /nfs/dbraw/zinc/35/21/27/803352127.db2.gz MFVQRJZSJHLOSH-UYAOXDASSA-N 1 2 344.455 2.084 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H]2OCCc3ccccc32)C1 ZINC001108351592 803352133 /nfs/dbraw/zinc/35/21/33/803352133.db2.gz MFVQRJZSJHLOSH-UYAOXDASSA-N 1 2 344.455 2.084 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)C1 ZINC001108373242 803387506 /nfs/dbraw/zinc/38/75/06/803387506.db2.gz SCEIHYUSQRCSSB-IHPCNDPISA-N 1 2 346.446 2.449 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)C1 ZINC001108373242 803387512 /nfs/dbraw/zinc/38/75/12/803387512.db2.gz SCEIHYUSQRCSSB-IHPCNDPISA-N 1 2 346.446 2.449 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCOc2cccc(C)c2)C1 ZINC001108393075 803440995 /nfs/dbraw/zinc/44/09/95/803440995.db2.gz HYDPPDMTZYTHQI-IBGZPJMESA-N 1 2 332.444 2.157 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCOc2cccc(C)c2)C1 ZINC001108393075 803440999 /nfs/dbraw/zinc/44/09/99/803440999.db2.gz HYDPPDMTZYTHQI-IBGZPJMESA-N 1 2 332.444 2.157 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)c2ccc(OC)cc2)C1 ZINC001108412140 803514791 /nfs/dbraw/zinc/51/47/91/803514791.db2.gz HRRCGWWIORKUDU-HXUWFJFHSA-N 1 2 346.471 2.366 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)c2ccc(OC)cc2)C1 ZINC001108412140 803514792 /nfs/dbraw/zinc/51/47/92/803514792.db2.gz HRRCGWWIORKUDU-HXUWFJFHSA-N 1 2 346.471 2.366 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)Cc2ccc(OC)cc2)C1 ZINC001108414900 803521806 /nfs/dbraw/zinc/52/18/06/803521806.db2.gz WTIWNZABWUUDCB-OXQOHEQNSA-N 1 2 346.471 2.267 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)Cc2ccc(OC)cc2)C1 ZINC001108414900 803521809 /nfs/dbraw/zinc/52/18/09/803521809.db2.gz WTIWNZABWUUDCB-OXQOHEQNSA-N 1 2 346.471 2.267 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnc(C(C)(C)C)s2)C1 ZINC001108422363 803537160 /nfs/dbraw/zinc/53/71/60/803537160.db2.gz PSIBNRVWYLGWBP-KRWDZBQOSA-N 1 2 337.489 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/nfs/dbraw/zinc/97/62/02/529976202.db2.gz VHABYVQVEOQKJX-QGZVFWFLSA-N 1 2 326.375 2.273 20 30 EEEDLO C[C@]1(O)CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000177976138 232046168 /nfs/dbraw/zinc/04/61/68/232046168.db2.gz KODNJRKDXNMAAJ-KRWDZBQOSA-N 1 2 333.457 2.284 20 30 EEEDLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000177976138 232046172 /nfs/dbraw/zinc/04/61/72/232046172.db2.gz KODNJRKDXNMAAJ-KRWDZBQOSA-N 1 2 333.457 2.284 20 30 EEEDLO C[N@@H+]1CCc2nc(NC(=O)COc3ccccc3C#N)sc2C1 ZINC000069199395 215368579 /nfs/dbraw/zinc/36/85/79/215368579.db2.gz OEAJIJRGLKGOOA-UHFFFAOYSA-N 1 2 328.397 2.020 20 30 EEEDLO C[N@H+]1CCc2nc(NC(=O)COc3ccccc3C#N)sc2C1 ZINC000069199395 215368580 /nfs/dbraw/zinc/36/85/80/215368580.db2.gz OEAJIJRGLKGOOA-UHFFFAOYSA-N 1 2 328.397 2.020 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2ccccn2)CC1 ZINC000038431234 213209477 /nfs/dbraw/zinc/20/94/77/213209477.db2.gz OKRPJZWAIWTPMV-HNNXBMFYSA-N 1 2 335.411 2.102 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000104731380 237087317 /nfs/dbraw/zinc/08/73/17/237087317.db2.gz FFIUUNMRBTWJNA-KRWDZBQOSA-N 1 2 342.487 2.343 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000104731380 237087321 /nfs/dbraw/zinc/08/73/21/237087321.db2.gz FFIUUNMRBTWJNA-KRWDZBQOSA-N 1 2 342.487 2.343 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000451804555 243270987 /nfs/dbraw/zinc/27/09/87/243270987.db2.gz VKWITAMFPRWANH-AWEZNQCLSA-N 1 2 337.370 2.303 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000451804555 243270994 /nfs/dbraw/zinc/27/09/94/243270994.db2.gz VKWITAMFPRWANH-AWEZNQCLSA-N 1 2 337.370 2.303 20 30 EEEDLO CC[C@@H](C(=O)NCc1ccc(C#N)c(F)c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000456848460 244372232 /nfs/dbraw/zinc/37/22/32/244372232.db2.gz WMWMWYQCWGZKSL-RDJZCZTQSA-N 1 2 333.407 2.203 20 30 EEEDLO CC[C@@H](C(=O)NCc1ccc(C#N)c(F)c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000456848460 244372237 /nfs/dbraw/zinc/37/22/37/244372237.db2.gz WMWMWYQCWGZKSL-RDJZCZTQSA-N 1 2 333.407 2.203 20 30 EEEDLO C=CCOCCCC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000079456310 217227272 /nfs/dbraw/zinc/22/72/72/217227272.db2.gz MJSOLDYHXBXUET-GOSISDBHSA-N 1 2 332.444 2.159 20 30 EEEDLO C[C@@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000264209249 246186525 /nfs/dbraw/zinc/18/65/25/246186525.db2.gz GPAMBTBOWKFQAR-QLFBSQMISA-N 1 2 330.432 2.028 20 30 EEEDLO COCC[N@H+](Cc1ccc(C(=O)N(C)C)[nH]1)Cc1ccc(C#N)cc1 ZINC000092567696 218150441 /nfs/dbraw/zinc/15/04/41/218150441.db2.gz CCWCXOKCEJSIDN-UHFFFAOYSA-N 1 2 340.427 2.237 20 30 EEEDLO COCC[N@@H+](Cc1ccc(C(=O)N(C)C)[nH]1)Cc1ccc(C#N)cc1 ZINC000092567696 218150444 /nfs/dbraw/zinc/15/04/44/218150444.db2.gz CCWCXOKCEJSIDN-UHFFFAOYSA-N 1 2 340.427 2.237 20 30 EEEDLO Cc1nnc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000273727850 256322022 /nfs/dbraw/zinc/32/20/22/256322022.db2.gz SSAHNECOIWKZQQ-QMTHXVAHSA-N 1 2 327.413 2.174 20 30 EEEDLO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1C ZINC000191806273 533438919 /nfs/dbraw/zinc/43/89/19/533438919.db2.gz IYHFKYLEVJMXFP-IPYPFGDCSA-N 1 2 329.400 2.016 20 30 EEEDLO COC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1C ZINC000191806273 533438924 /nfs/dbraw/zinc/43/89/24/533438924.db2.gz IYHFKYLEVJMXFP-IPYPFGDCSA-N 1 2 329.400 2.016 20 30 EEEDLO N#Cc1ccc([C@H]([NH2+]Cc2cccc3c2OCCCO3)C(N)=O)cc1 ZINC000120895540 292259008 /nfs/dbraw/zinc/25/90/08/292259008.db2.gz ZCUQHGWHXVTQQW-KRWDZBQOSA-N 1 2 337.379 2.036 20 30 EEEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000374292744 154034985 /nfs/dbraw/zinc/03/49/85/154034985.db2.gz FJYLUVSRIRIDHB-QGZVFWFLSA-N 1 2 326.400 2.351 20 30 EEEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000374292744 154034989 /nfs/dbraw/zinc/03/49/89/154034989.db2.gz FJYLUVSRIRIDHB-QGZVFWFLSA-N 1 2 326.400 2.351 20 30 EEEDLO COc1ccc([C@@H](NC(=O)c2ccnc(C#N)c2)c2[nH+]ccn2C)cc1 ZINC000192472207 160170993 /nfs/dbraw/zinc/17/09/93/160170993.db2.gz LYPYMFRHNYFGLV-QGZVFWFLSA-N 1 2 347.378 2.215 20 30 EEEDLO COC(=O)[C@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]1C ZINC000355382026 163170117 /nfs/dbraw/zinc/17/01/17/163170117.db2.gz ZSFYDAPOILNZEO-DOMZBBRYSA-N 1 2 340.383 2.239 20 30 EEEDLO COC(=O)[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]1C ZINC000355382026 163170120 /nfs/dbraw/zinc/17/01/20/163170120.db2.gz ZSFYDAPOILNZEO-DOMZBBRYSA-N 1 2 340.383 2.239 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000367869966 166013303 /nfs/dbraw/zinc/01/33/03/166013303.db2.gz YMSMCQXVWJHNCX-AWEZNQCLSA-N 1 2 332.205 2.359 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000367869966 166013304 /nfs/dbraw/zinc/01/33/04/166013304.db2.gz YMSMCQXVWJHNCX-AWEZNQCLSA-N 1 2 332.205 2.359 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000364237608 165064828 /nfs/dbraw/zinc/06/48/28/165064828.db2.gz BOJOUVPQZUOBSG-HNNXBMFYSA-N 1 2 343.427 2.157 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCOC2(CCOCC2)CC1 ZINC000364237608 165064832 /nfs/dbraw/zinc/06/48/32/165064832.db2.gz BOJOUVPQZUOBSG-HNNXBMFYSA-N 1 2 343.427 2.157 20 30 EEEDLO N#Cc1ccc(Cl)c(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000375898391 167221148 /nfs/dbraw/zinc/22/11/48/167221148.db2.gz RZZFLUPLUYJKML-CQSZACIVSA-N 1 2 333.819 2.148 20 30 EEEDLO Cc1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)ncc1C#N ZINC000333624601 269907570 /nfs/dbraw/zinc/90/75/70/269907570.db2.gz FRDSSIBDYFJIPS-UKRRQHHQSA-N 1 2 325.372 2.238 20 30 EEEDLO Cc1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)ncc1C#N ZINC000333624601 269907571 /nfs/dbraw/zinc/90/75/71/269907571.db2.gz FRDSSIBDYFJIPS-UKRRQHHQSA-N 1 2 325.372 2.238 20 30 EEEDLO C[C@@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)Cc2ccccc2O1 ZINC000367773157 267047246 /nfs/dbraw/zinc/04/72/46/267047246.db2.gz SGISBXMEIGIXCD-OAHLLOKOSA-N 1 2 335.407 2.458 20 30 EEEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)Cc2ccccc2O1 ZINC000367773157 267047251 /nfs/dbraw/zinc/04/72/51/267047251.db2.gz SGISBXMEIGIXCD-OAHLLOKOSA-N 1 2 335.407 2.458 20 30 EEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000301199269 267130742 /nfs/dbraw/zinc/13/07/42/267130742.db2.gz ORUUKXVAMVJEAQ-GFCCVEGCSA-N 1 2 332.835 2.001 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)s1 ZINC000435433348 268257422 /nfs/dbraw/zinc/25/74/22/268257422.db2.gz ROXUUIQJCCZHJS-UHFFFAOYSA-N 1 2 348.453 2.093 20 30 EEEDLO N#Cc1ncccc1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000290695852 268328425 /nfs/dbraw/zinc/32/84/25/268328425.db2.gz VFXOCNTXFFVFCL-UHFFFAOYSA-N 1 2 338.411 2.276 20 30 EEEDLO C#C[C@H](CCC)NC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000490740500 277707933 /nfs/dbraw/zinc/70/79/33/277707933.db2.gz PBYQPEFPLQLZSM-IIDMSEBBSA-N 1 2 344.459 2.028 20 30 EEEDLO O=C(C[NH+]1CCN(c2ncccc2C(F)(F)F)CC1)NC1CC1 ZINC000047509673 295389658 /nfs/dbraw/zinc/38/96/58/295389658.db2.gz RSZPKPHCGAEMBR-UHFFFAOYSA-N 1 2 328.338 2.341 20 30 EEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(Cl)c(C#N)c1 ZINC000561202527 318831365 /nfs/dbraw/zinc/83/13/65/318831365.db2.gz FJEPWMBNDQUSPN-WFASDCNBSA-N 1 2 333.819 2.147 20 30 EEEDLO COC(=O)[C@H]([NH2+]CCOc1cccc(C#N)c1)[C@@H]1CCC[C@H](OC)C1 ZINC000576878933 320212072 /nfs/dbraw/zinc/21/20/72/320212072.db2.gz IQIKDIZVPVTARF-SOLBZPMBSA-N 1 2 346.427 2.273 20 30 EEEDLO Cc1cc(C[NH+]2CCN(c3cccc(-n4cccn4)c3C#N)CC2)no1 ZINC000576958022 320220237 /nfs/dbraw/zinc/22/02/37/320220237.db2.gz VYIDKHRRKKHLAM-UHFFFAOYSA-N 1 2 348.410 2.363 20 30 EEEDLO N#Cc1ncc(C(F)(F)F)cc1NCC1([NH+]2CCOCC2)CC1 ZINC000578223718 320301945 /nfs/dbraw/zinc/30/19/45/320301945.db2.gz APAXICBJLVBKSH-UHFFFAOYSA-N 1 2 326.322 2.249 20 30 EEEDLO COc1cc(C[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)ccc1C#N ZINC000578707684 323685310 /nfs/dbraw/zinc/68/53/10/323685310.db2.gz BIFAFMIVLOGMOK-UHFFFAOYSA-N 1 2 348.468 2.358 20 30 EEEDLO Cn1ncc2c1CCC[C@@H]2NC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328598657 465065007 /nfs/dbraw/zinc/06/50/07/465065007.db2.gz BIVVAOPCIBBJHH-OCCSQVGLSA-N 1 2 328.420 2.075 20 30 EEEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cccc(SCC#N)c2)CCO1 ZINC000347588697 465107706 /nfs/dbraw/zinc/10/77/06/465107706.db2.gz AZQZWBNAXBMVIW-OAHLLOKOSA-N 1 2 333.457 2.143 20 30 EEEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cccc(SCC#N)c2)CCO1 ZINC000347588697 465107713 /nfs/dbraw/zinc/10/77/13/465107713.db2.gz AZQZWBNAXBMVIW-OAHLLOKOSA-N 1 2 333.457 2.143 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000296256545 465132811 /nfs/dbraw/zinc/13/28/11/465132811.db2.gz FYVCIMDTGUOUGF-HOCLYGCPSA-N 1 2 325.412 2.374 20 30 EEEDLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000328840066 465143482 /nfs/dbraw/zinc/14/34/82/465143482.db2.gz UJEJWUHORMRXSC-AAVRWANBSA-N 1 2 336.436 2.486 20 30 EEEDLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000328840066 465143488 /nfs/dbraw/zinc/14/34/88/465143488.db2.gz UJEJWUHORMRXSC-AAVRWANBSA-N 1 2 336.436 2.486 20 30 EEEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000328928542 465171154 /nfs/dbraw/zinc/17/11/54/465171154.db2.gz GNWTTYONNDUOMF-WDEREUQCSA-N 1 2 330.354 2.498 20 30 EEEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000328928542 465171160 /nfs/dbraw/zinc/17/11/60/465171160.db2.gz GNWTTYONNDUOMF-WDEREUQCSA-N 1 2 330.354 2.498 20 30 EEEDLO CC(=O)N1CC[C@H](C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329030027 465208732 /nfs/dbraw/zinc/20/87/32/465208732.db2.gz LBSYOYVIBWEVOQ-UONOGXRCSA-N 1 2 332.448 2.320 20 30 EEEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2COCCN2C)C[C@@H](C)O1 ZINC000329059908 465219013 /nfs/dbraw/zinc/21/90/13/465219013.db2.gz ULYJPZUHSPELTO-RKVPGOIHSA-N 1 2 347.459 2.214 20 30 EEEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3nc4c(s3)CCC4)C2)n1 ZINC000329069504 465223996 /nfs/dbraw/zinc/22/39/96/465223996.db2.gz YDHFTBSLSUYWAF-SNVBAGLBSA-N 1 2 333.417 2.401 20 30 EEEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3nc4c(s3)CCC4)C2)n1 ZINC000329069504 465223998 /nfs/dbraw/zinc/22/39/98/465223998.db2.gz YDHFTBSLSUYWAF-SNVBAGLBSA-N 1 2 333.417 2.401 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCCCC2CCCCC2)C1=O ZINC000337201357 465240338 /nfs/dbraw/zinc/24/03/38/465240338.db2.gz CWGXUFHUWKWLDN-QGZVFWFLSA-N 1 2 335.492 2.182 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCCCC2CCCCC2)C1=O ZINC000337201357 465240346 /nfs/dbraw/zinc/24/03/46/465240346.db2.gz CWGXUFHUWKWLDN-QGZVFWFLSA-N 1 2 335.492 2.182 20 30 EEEDLO CC1CCC(CNC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)CC1 ZINC000329172052 465255479 /nfs/dbraw/zinc/25/54/79/465255479.db2.gz KWXQBOCWFWEMQP-UHFFFAOYSA-N 1 2 333.480 2.278 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cc(C)ccc2OC)C1=O ZINC000337230842 465256779 /nfs/dbraw/zinc/25/67/79/465256779.db2.gz TWXKFYHGCUEJQB-HOCLYGCPSA-N 1 2 345.443 2.049 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2cc(C)ccc2OC)C1=O ZINC000337230842 465256782 /nfs/dbraw/zinc/25/67/82/465256782.db2.gz TWXKFYHGCUEJQB-HOCLYGCPSA-N 1 2 345.443 2.049 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccccc2SC)C1=O ZINC000337224119 465252967 /nfs/dbraw/zinc/25/29/67/465252967.db2.gz NFUKCNJSAGSGOF-HIFRSBDPSA-N 1 2 347.484 2.454 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccccc2SC)C1=O ZINC000337224119 465252973 /nfs/dbraw/zinc/25/29/73/465252973.db2.gz NFUKCNJSAGSGOF-HIFRSBDPSA-N 1 2 347.484 2.454 20 30 EEEDLO N#CC[C@@H](CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000356095595 465292239 /nfs/dbraw/zinc/29/22/39/465292239.db2.gz NBAMFLLIOQQEJF-KRWDZBQOSA-N 1 2 337.427 2.141 20 30 EEEDLO Cc1ccc(C(=O)NCCn2cnc(C#N)n2)cc1Oc1cc[nH+]cc1 ZINC000342883878 465367205 /nfs/dbraw/zinc/36/72/05/465367205.db2.gz PCBNMHFEVUMSNK-UHFFFAOYSA-N 1 2 348.366 2.076 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(F)cc1Cl ZINC000060633833 462561922 /nfs/dbraw/zinc/56/19/22/462561922.db2.gz KIVBXRJRNWGFAR-UHFFFAOYSA-N 1 2 339.798 2.167 20 30 EEEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000045932030 462632116 /nfs/dbraw/zinc/63/21/16/462632116.db2.gz QHNYJCHFLPZYKO-HNNXBMFYSA-N 1 2 339.395 2.263 20 30 EEEDLO C=CCCC[NH+]1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000117870944 462815712 /nfs/dbraw/zinc/81/57/12/462815712.db2.gz NLBFESIINQOCGM-UHFFFAOYSA-N 1 2 336.457 2.162 20 30 EEEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)NC1CCOCC1 ZINC000076154020 462816001 /nfs/dbraw/zinc/81/60/01/462816001.db2.gz UTAZPXVLHJYJOY-QZTJIDSGSA-N 1 2 327.428 2.053 20 30 EEEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)NC1CCOCC1 ZINC000076154020 462816005 /nfs/dbraw/zinc/81/60/05/462816005.db2.gz UTAZPXVLHJYJOY-QZTJIDSGSA-N 1 2 327.428 2.053 20 30 EEEDLO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](CCC#N)CCC(C)C ZINC000119175020 462879467 /nfs/dbraw/zinc/87/94/67/462879467.db2.gz QELCRSPYYJPYPV-UHFFFAOYSA-N 1 2 333.480 2.327 20 30 EEEDLO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](CCC#N)CCC(C)C ZINC000119175020 462879469 /nfs/dbraw/zinc/87/94/69/462879469.db2.gz QELCRSPYYJPYPV-UHFFFAOYSA-N 1 2 333.480 2.327 20 30 EEEDLO C[C@H]1CCCCN1C(=O)CN1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000133752786 462966733 /nfs/dbraw/zinc/96/67/33/462966733.db2.gz HXMJUKXKTBJKAS-HNNXBMFYSA-N 1 2 346.500 2.138 20 30 EEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2cc(C#N)cs2)CC1 ZINC000133752786 462966736 /nfs/dbraw/zinc/96/67/36/462966736.db2.gz HXMJUKXKTBJKAS-HNNXBMFYSA-N 1 2 346.500 2.138 20 30 EEEDLO COCCN(CCC#N)Cc1c[nH+]c2ccc(Br)cn12 ZINC000093099913 463008152 /nfs/dbraw/zinc/00/81/52/463008152.db2.gz MAVIIJIWIDVATD-UHFFFAOYSA-N 1 2 337.221 2.459 20 30 EEEDLO N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000022136299 463045561 /nfs/dbraw/zinc/04/55/61/463045561.db2.gz CDSVJQBVRAORFC-UHFFFAOYSA-N 1 2 325.328 2.442 20 30 EEEDLO CCC(CC)[C@H](CNC(=O)c1sccc1C#N)[NH+]1CCOCC1 ZINC000052034807 463059209 /nfs/dbraw/zinc/05/92/09/463059209.db2.gz KNPJYVBEQYDDTA-HNNXBMFYSA-N 1 2 335.473 2.487 20 30 EEEDLO Cc1nc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1C#N ZINC000078425467 463115922 /nfs/dbraw/zinc/11/59/22/463115922.db2.gz LQHJWNCKRAQXLW-UHFFFAOYSA-N 1 2 345.406 2.091 20 30 EEEDLO Cc1cccc([C@H](CNC(=O)C2(C#N)CCC2)[NH+]2CCOCC2)c1 ZINC000078818979 463154072 /nfs/dbraw/zinc/15/40/72/463154072.db2.gz GMVFHASXZNSMDU-KRWDZBQOSA-N 1 2 327.428 2.178 20 30 EEEDLO CN(C(=O)CN1CC[NH+](Cc2ccco2)CC1)C1(C#N)CCCCC1 ZINC000053440034 463162831 /nfs/dbraw/zinc/16/28/31/463162831.db2.gz KONAYBRGWZKUCI-UHFFFAOYSA-N 1 2 344.459 2.082 20 30 EEEDLO C[C@@H](C#N)CN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000079010141 463178322 /nfs/dbraw/zinc/17/83/22/463178322.db2.gz URANHTPSOPDQRB-WFASDCNBSA-N 1 2 329.379 2.450 20 30 EEEDLO O=C([C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)N1CCSCC1 ZINC000158164827 463211399 /nfs/dbraw/zinc/21/13/99/463211399.db2.gz FTBHGODUDUGEQZ-KRWDZBQOSA-N 1 2 332.444 2.217 20 30 EEEDLO O=C([C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)N1CCSCC1 ZINC000158164827 463211402 /nfs/dbraw/zinc/21/14/02/463211402.db2.gz FTBHGODUDUGEQZ-KRWDZBQOSA-N 1 2 332.444 2.217 20 30 EEEDLO CCCCC[C@@H](C)NC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029446434 463257153 /nfs/dbraw/zinc/25/71/53/463257153.db2.gz OLJBZBDABCIDKF-MRXNPFEDSA-N 1 2 343.475 2.160 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000080186207 463292291 /nfs/dbraw/zinc/29/22/91/463292291.db2.gz MPQAYKLLLSQDSC-UHFFFAOYSA-N 1 2 341.415 2.248 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000123014192 463310562 /nfs/dbraw/zinc/31/05/62/463310562.db2.gz XCBHWCKFLRVCDM-UHFFFAOYSA-N 1 2 337.464 2.130 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000123014192 463310565 /nfs/dbraw/zinc/31/05/65/463310565.db2.gz XCBHWCKFLRVCDM-UHFFFAOYSA-N 1 2 337.464 2.130 20 30 EEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000030967923 463318157 /nfs/dbraw/zinc/31/81/57/463318157.db2.gz RYNWOCSMRPNPIS-HNNXBMFYSA-N 1 2 344.434 2.220 20 30 EEEDLO CC[N@@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)C[C@@H](C)C#N ZINC000140419902 463341695 /nfs/dbraw/zinc/34/16/95/463341695.db2.gz WLAVCZNWVOGNNP-ZDUSSCGKSA-N 1 2 339.386 2.428 20 30 EEEDLO CC[N@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)C[C@@H](C)C#N ZINC000140419902 463341700 /nfs/dbraw/zinc/34/17/00/463341700.db2.gz WLAVCZNWVOGNNP-ZDUSSCGKSA-N 1 2 339.386 2.428 20 30 EEEDLO N#Cc1ccc(OCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000055695874 463342030 /nfs/dbraw/zinc/34/20/30/463342030.db2.gz DODFIRFMBSSAFZ-UHFFFAOYSA-N 1 2 332.363 2.439 20 30 EEEDLO N#Cc1cccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000032248473 463368585 /nfs/dbraw/zinc/36/85/85/463368585.db2.gz WNSMASIZXMVTJS-IBGZPJMESA-N 1 2 335.407 2.189 20 30 EEEDLO N#Cc1cccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000032248473 463368592 /nfs/dbraw/zinc/36/85/92/463368592.db2.gz WNSMASIZXMVTJS-IBGZPJMESA-N 1 2 335.407 2.189 20 30 EEEDLO C=CC[N@@H+](C[C@H](O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000072629673 463526754 /nfs/dbraw/zinc/52/67/54/463526754.db2.gz DNCPMKHVMIXNFW-CABCVRRESA-N 1 2 329.849 2.049 20 30 EEEDLO C=CC[N@H+](C[C@H](O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000072629673 463526758 /nfs/dbraw/zinc/52/67/58/463526758.db2.gz DNCPMKHVMIXNFW-CABCVRRESA-N 1 2 329.849 2.049 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000042242840 463552020 /nfs/dbraw/zinc/55/20/20/463552020.db2.gz KKYJWFFWSFZPHJ-KRWDZBQOSA-N 1 2 343.471 2.406 20 30 EEEDLO Cc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1Cl ZINC000126594911 463651346 /nfs/dbraw/zinc/65/13/46/463651346.db2.gz HMFRMITXCODTHZ-UHFFFAOYSA-N 1 2 335.835 2.337 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152143189 463652963 /nfs/dbraw/zinc/65/29/63/463652963.db2.gz AOXNJHZEQKEZEH-HNNXBMFYSA-N 1 2 331.464 2.286 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152143189 463652968 /nfs/dbraw/zinc/65/29/68/463652968.db2.gz AOXNJHZEQKEZEH-HNNXBMFYSA-N 1 2 331.464 2.286 20 30 EEEDLO CCCN(CCC)C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000073870401 463664129 /nfs/dbraw/zinc/66/41/29/463664129.db2.gz REPHPUOPRJUPFT-UHFFFAOYSA-N 1 2 346.450 2.468 20 30 EEEDLO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000170647006 463688782 /nfs/dbraw/zinc/68/87/82/463688782.db2.gz LJULYTPKJQWXTJ-UONOGXRCSA-N 1 2 332.423 2.123 20 30 EEEDLO CC[C@H](C)NC(=O)CN1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186290427 463970169 /nfs/dbraw/zinc/97/01/69/463970169.db2.gz WOUZMNQHOQRJBJ-JKSUJKDBSA-N 1 2 328.460 2.152 20 30 EEEDLO C=CCC[C@@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)c1ccccc1 ZINC000269379987 463970575 /nfs/dbraw/zinc/97/05/75/463970575.db2.gz XDUUAAKVDMZYEP-QZTJIDSGSA-N 1 2 330.476 2.239 20 30 EEEDLO C=CCC[C@@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)c1ccccc1 ZINC000269379987 463970578 /nfs/dbraw/zinc/97/05/78/463970578.db2.gz XDUUAAKVDMZYEP-QZTJIDSGSA-N 1 2 330.476 2.239 20 30 EEEDLO Cc1cc(C#N)ccc1C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000186313956 463974128 /nfs/dbraw/zinc/97/41/28/463974128.db2.gz DCNLKUAJBPLVLT-MSOLQXFVSA-N 1 2 348.468 2.035 20 30 EEEDLO Cc1cc(C#N)ccc1C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000186313956 463974138 /nfs/dbraw/zinc/97/41/38/463974138.db2.gz DCNLKUAJBPLVLT-MSOLQXFVSA-N 1 2 348.468 2.035 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc4ccccc43)n2C)CC1 ZINC000283781236 464008323 /nfs/dbraw/zinc/00/83/23/464008323.db2.gz KXDHPRVKZWQGCY-UHFFFAOYSA-N 1 2 331.423 2.391 20 30 EEEDLO NC(=[NH+]OCCOc1cccc(Br)c1)[C@H]1CCCO1 ZINC000283877509 464032124 /nfs/dbraw/zinc/03/21/24/464032124.db2.gz CQTDJDIXMSYVBK-GFCCVEGCSA-N 1 2 329.194 2.296 20 30 EEEDLO C[C@@H](O)c1ncc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000289041633 464065211 /nfs/dbraw/zinc/06/52/11/464065211.db2.gz HTDKTNNVLBVZCV-CQSZACIVSA-N 1 2 342.468 2.386 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000289744854 464092583 /nfs/dbraw/zinc/09/25/83/464092583.db2.gz YJRKHPHWLPWPEO-UHFFFAOYSA-N 1 2 327.428 2.305 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000289744854 464092592 /nfs/dbraw/zinc/09/25/92/464092592.db2.gz YJRKHPHWLPWPEO-UHFFFAOYSA-N 1 2 327.428 2.305 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NCC2CCCCC2)n1 ZINC000279737817 464138047 /nfs/dbraw/zinc/13/80/47/464138047.db2.gz OGLKHONLYXJMHA-MRXNPFEDSA-N 1 2 330.476 2.423 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NCC2CCCCC2)n1 ZINC000279737817 464138053 /nfs/dbraw/zinc/13/80/53/464138053.db2.gz OGLKHONLYXJMHA-MRXNPFEDSA-N 1 2 330.476 2.423 20 30 EEEDLO CCOCC[NH+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000280523001 464217536 /nfs/dbraw/zinc/21/75/36/464217536.db2.gz MWIGZSYYTQRDFM-UHFFFAOYSA-N 1 2 329.444 2.282 20 30 EEEDLO C=CCn1c(SCC[N@H+]2CCOC[C@H]2C)nnc1-c1ccncc1 ZINC000188228726 464230222 /nfs/dbraw/zinc/23/02/22/464230222.db2.gz VMIHUKWQTPGZGL-CQSZACIVSA-N 1 2 345.472 2.339 20 30 EEEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@H]2C)nnc1-c1ccncc1 ZINC000188228726 464230227 /nfs/dbraw/zinc/23/02/27/464230227.db2.gz VMIHUKWQTPGZGL-CQSZACIVSA-N 1 2 345.472 2.339 20 30 EEEDLO C=CC[C@@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280972052 464285772 /nfs/dbraw/zinc/28/57/72/464285772.db2.gz LTIRTJVRCHGZSI-NXHRZFHOSA-N 1 2 329.444 2.246 20 30 EEEDLO C=CC[C@@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280972052 464285777 /nfs/dbraw/zinc/28/57/77/464285777.db2.gz LTIRTJVRCHGZSI-NXHRZFHOSA-N 1 2 329.444 2.246 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173653249 464302616 /nfs/dbraw/zinc/30/26/16/464302616.db2.gz LKXCJTIWKZHKQN-GDBMZVCRSA-N 1 2 329.448 2.288 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173653249 464302618 /nfs/dbraw/zinc/30/26/18/464302618.db2.gz LKXCJTIWKZHKQN-GDBMZVCRSA-N 1 2 329.448 2.288 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(Cl)c2C)C1=O ZINC000281278084 464397021 /nfs/dbraw/zinc/39/70/21/464397021.db2.gz ILSDIJYRXMQHPP-HNNXBMFYSA-N 1 2 335.835 2.306 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(Cl)c2C)C1=O ZINC000281278084 464397026 /nfs/dbraw/zinc/39/70/26/464397026.db2.gz ILSDIJYRXMQHPP-HNNXBMFYSA-N 1 2 335.835 2.306 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C1=O ZINC000281458110 464462742 /nfs/dbraw/zinc/46/27/42/464462742.db2.gz VCNRFQFYBAFXDI-AEFFLSMTSA-N 1 2 343.471 2.199 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C1=O ZINC000281458110 464462749 /nfs/dbraw/zinc/46/27/49/464462749.db2.gz VCNRFQFYBAFXDI-AEFFLSMTSA-N 1 2 343.471 2.199 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000281480030 464470993 /nfs/dbraw/zinc/47/09/93/464470993.db2.gz PSTQWVNVPINWKH-APWZRJJASA-N 1 2 344.455 2.230 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000281526778 464491574 /nfs/dbraw/zinc/49/15/74/464491574.db2.gz LFVKPLSPWSITEH-VQHPVUNQSA-N 1 2 332.448 2.457 20 30 EEEDLO CCOC(=O)C[N@H+](CCC(=O)N(C)CCC#N)[C@H](C)c1ccccc1 ZINC000272211119 464519513 /nfs/dbraw/zinc/51/95/13/464519513.db2.gz DDRAIJIPIXSVCS-MRXNPFEDSA-N 1 2 345.443 2.375 20 30 EEEDLO CCOC(=O)C[N@@H+](CCC(=O)N(C)CCC#N)[C@H](C)c1ccccc1 ZINC000272211119 464519520 /nfs/dbraw/zinc/51/95/20/464519520.db2.gz DDRAIJIPIXSVCS-MRXNPFEDSA-N 1 2 345.443 2.375 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(F)c(F)c1F ZINC000596983052 468407346 /nfs/dbraw/zinc/40/73/46/468407346.db2.gz DGEZIIDEHPKTKG-UHFFFAOYSA-N 1 2 327.350 2.152 20 30 EEEDLO CC(C)[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1nncn1C ZINC000285509823 464589601 /nfs/dbraw/zinc/58/96/01/464589601.db2.gz YIAJPVAFIHDTRR-QGZVFWFLSA-N 1 2 340.431 2.049 20 30 EEEDLO Cc1ccc2[nH+]c(CN3CCN(c4nccnc4C#N)C[C@H]3C)cn2c1 ZINC000247409585 464676639 /nfs/dbraw/zinc/67/66/39/464676639.db2.gz RPHSSTWOPBCZKK-OAHLLOKOSA-N 1 2 347.426 2.015 20 30 EEEDLO C=CCN1CC[C@H]([NH+]2CCN(c3nc4ccccc4s3)CC2)C1=O ZINC000282063352 464686577 /nfs/dbraw/zinc/68/65/77/464686577.db2.gz SGMOKAGTEKJZAD-HNNXBMFYSA-N 1 2 342.468 2.205 20 30 EEEDLO CC(=O)c1ccc(NC(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C)cc1 ZINC000266243671 464769000 /nfs/dbraw/zinc/76/90/00/464769000.db2.gz YCSJFJKJRLEBLA-ZDUSSCGKSA-N 1 2 335.404 2.178 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249016428 464830327 /nfs/dbraw/zinc/83/03/27/464830327.db2.gz PQQZRAMXWPDUPR-SJCJKPOMSA-N 1 2 349.818 2.030 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249016428 464830339 /nfs/dbraw/zinc/83/03/39/464830339.db2.gz PQQZRAMXWPDUPR-SJCJKPOMSA-N 1 2 349.818 2.030 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2Cc2cc(C#N)ccc2F)O1 ZINC000282495886 464840671 /nfs/dbraw/zinc/84/06/71/464840671.db2.gz QICSSVAZQFPDIJ-QYHDQYMBSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2Cc2cc(C#N)ccc2F)O1 ZINC000282495886 464840675 /nfs/dbraw/zinc/84/06/75/464840675.db2.gz QICSSVAZQFPDIJ-QYHDQYMBSA-N 1 2 332.375 2.381 20 30 EEEDLO N#C[C@]1(NC(=O)Cc2cn3ccccc3[nH+]2)CCc2ccccc2C1 ZINC000183980092 464933179 /nfs/dbraw/zinc/93/31/79/464933179.db2.gz UIKLIZJWJOFDGG-FQEVSTJZSA-N 1 2 330.391 2.444 20 30 EEEDLO C=C(C)Cn1c(C2CC2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000282808080 464956971 /nfs/dbraw/zinc/95/69/71/464956971.db2.gz HUQOUPVEMMXOGF-UHFFFAOYSA-N 1 2 342.447 2.350 20 30 EEEDLO COCCCNC(=O)C[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177268601 464973836 /nfs/dbraw/zinc/97/38/36/464973836.db2.gz ONFZSMOAIBGAGA-UHFFFAOYSA-N 1 2 342.361 2.141 20 30 EEEDLO COCCCNC(=O)C[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177268601 464973839 /nfs/dbraw/zinc/97/38/39/464973839.db2.gz ONFZSMOAIBGAGA-UHFFFAOYSA-N 1 2 342.361 2.141 20 30 EEEDLO CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000329405802 465323542 /nfs/dbraw/zinc/32/35/42/465323542.db2.gz XDWXSPWXSQOJRQ-AVGNSLFASA-N 1 2 345.534 2.080 20 30 EEEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)[C@@H]1CCCCS1(=O)=O ZINC000329593132 465382095 /nfs/dbraw/zinc/38/20/95/465382095.db2.gz OFEMHJGNVKANBL-LBPRGKRZSA-N 1 2 341.820 2.412 20 30 EEEDLO CCc1cccc2c1OCC[C@@H]2NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329910232 465470844 /nfs/dbraw/zinc/47/08/44/465470844.db2.gz NBVVQHZWAHOIMY-BBWFWOEESA-N 1 2 345.443 2.001 20 30 EEEDLO CCc1cccc2c1OCC[C@@H]2NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329910232 465470849 /nfs/dbraw/zinc/47/08/49/465470849.db2.gz NBVVQHZWAHOIMY-BBWFWOEESA-N 1 2 345.443 2.001 20 30 EEEDLO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C#N)CC3)C2=O)cc1 ZINC000352270198 465512482 /nfs/dbraw/zinc/51/24/82/465512482.db2.gz DCSWJQBFRSRGFU-KRWDZBQOSA-N 1 2 341.411 2.343 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCC(F)(C#N)CC1 ZINC000352483999 465533138 /nfs/dbraw/zinc/53/31/38/465533138.db2.gz KGDVBJHCHHFBQW-UKRRQHHQSA-N 1 2 331.391 2.343 20 30 EEEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348305375 465542063 /nfs/dbraw/zinc/54/20/63/465542063.db2.gz JXLYJWKFOSEFGC-RHSMWYFYSA-N 1 2 348.878 2.437 20 30 EEEDLO COc1ccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cc1OCCCC#N ZINC000352895793 465564759 /nfs/dbraw/zinc/56/47/59/465564759.db2.gz YDXXOICGKVIEEY-INIZCTEOSA-N 1 2 343.427 2.184 20 30 EEEDLO COc1ccc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)cc1OCCCC#N ZINC000352895793 465564765 /nfs/dbraw/zinc/56/47/65/465564765.db2.gz YDXXOICGKVIEEY-INIZCTEOSA-N 1 2 343.427 2.184 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)nc1C ZINC000330281919 465598073 /nfs/dbraw/zinc/59/80/73/465598073.db2.gz AFHJSVKULDJBGQ-HIFRSBDPSA-N 1 2 329.404 2.360 20 30 EEEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(Oc3ccccn3)CC2)cc1 ZINC000348508146 465639664 /nfs/dbraw/zinc/63/96/64/465639664.db2.gz KOJOYLGXAMRXDX-SFHVURJKSA-N 1 2 336.395 2.023 20 30 EEEDLO CC(C)c1nc([C@H]2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)no1 ZINC000330503474 465684860 /nfs/dbraw/zinc/68/48/60/465684860.db2.gz ZGISWYWYAQVOOY-KSSFIOAISA-N 1 2 347.463 2.427 20 30 EEEDLO CC(C)c1nc([C@H]2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)no1 ZINC000330503474 465684865 /nfs/dbraw/zinc/68/48/65/465684865.db2.gz ZGISWYWYAQVOOY-KSSFIOAISA-N 1 2 347.463 2.427 20 30 EEEDLO CC1CC[NH+](CCNC(=O)N=c2nc(C(C)(C)C)[nH]s2)CC1 ZINC000330639744 465742329 /nfs/dbraw/zinc/74/23/29/465742329.db2.gz PNQNRVUJULSYDJ-UHFFFAOYSA-N 1 2 325.482 2.315 20 30 EEEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3c(nnn3-c3ccccc3)C2)cc1 ZINC000366567637 465807475 /nfs/dbraw/zinc/80/74/75/465807475.db2.gz CZDCJMOACYCVSE-HXUWFJFHSA-N 1 2 345.406 2.231 20 30 EEEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCc3c(nnn3-c3ccccc3)C2)cc1 ZINC000366567637 465807478 /nfs/dbraw/zinc/80/74/78/465807478.db2.gz CZDCJMOACYCVSE-HXUWFJFHSA-N 1 2 345.406 2.231 20 30 EEEDLO C=CCC(C)(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000345453720 465867513 /nfs/dbraw/zinc/86/75/13/465867513.db2.gz LADWNBQYGGOWHG-UHFFFAOYSA-N 1 2 330.432 2.010 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000346036679 465925960 /nfs/dbraw/zinc/92/59/60/465925960.db2.gz LXGBKYULDYOCFN-SZMVWBNQSA-N 1 2 329.444 2.268 20 30 EEEDLO Cn1c2cc(Br)ccc2[nH+]c1Cn1cccc(C#N)c1=O ZINC000362697347 465950171 /nfs/dbraw/zinc/95/01/71/465950171.db2.gz JTAVMBDYKPMTSZ-UHFFFAOYSA-N 1 2 343.184 2.417 20 30 EEEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@H](Cn3nc(C)nc3C)C2)c1 ZINC000353636063 466027460 /nfs/dbraw/zinc/02/74/60/466027460.db2.gz FFODZAOCODWYRI-IBGZPJMESA-N 1 2 342.443 2.361 20 30 EEEDLO C=CCOc1cccc(C[N@H+]2CCO[C@H](Cn3nc(C)nc3C)C2)c1 ZINC000353636063 466027465 /nfs/dbraw/zinc/02/74/65/466027465.db2.gz FFODZAOCODWYRI-IBGZPJMESA-N 1 2 342.443 2.361 20 30 EEEDLO CC(=O)Nc1ccc(F)c(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1 ZINC000331346530 466041358 /nfs/dbraw/zinc/04/13/58/466041358.db2.gz MAVKTBAVQJRMLD-UHFFFAOYSA-N 1 2 337.395 2.200 20 30 EEEDLO COc1ccccc1[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1[nH+]ccn1C ZINC000371885282 466051272 /nfs/dbraw/zinc/05/12/72/466051272.db2.gz BRLKGRHVPFCGEY-MRXNPFEDSA-N 1 2 335.367 2.148 20 30 EEEDLO C#C[C@@H](NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1)C(C)C ZINC000366991923 466059720 /nfs/dbraw/zinc/05/97/20/466059720.db2.gz VCEAUSVUDPASIX-IAGOWNOFSA-N 1 2 340.427 2.475 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1cc(Cl)ccc1Cl ZINC000580267257 468473760 /nfs/dbraw/zinc/47/37/60/468473760.db2.gz WTLCITDVZUJMFB-AWEZNQCLSA-N 1 2 330.215 2.332 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000372113893 466167781 /nfs/dbraw/zinc/16/77/81/466167781.db2.gz WJFJYYUFAWNWEM-INIZCTEOSA-N 1 2 334.416 2.071 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000372113893 466167788 /nfs/dbraw/zinc/16/77/88/466167788.db2.gz WJFJYYUFAWNWEM-INIZCTEOSA-N 1 2 334.416 2.071 20 30 EEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)CCCCCC)CC1 ZINC000363001401 466170168 /nfs/dbraw/zinc/17/01/68/466170168.db2.gz TZUGICAVLLWIQT-SFHVURJKSA-N 1 2 349.519 2.267 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)CCCCCC)CC1 ZINC000363001401 466170175 /nfs/dbraw/zinc/17/01/75/466170175.db2.gz TZUGICAVLLWIQT-SFHVURJKSA-N 1 2 349.519 2.267 20 30 EEEDLO CC(C)(C[NH+]1CCOCC1)Nc1ncc(Br)cc1C#N ZINC000308666244 466499261 /nfs/dbraw/zinc/49/92/61/466499261.db2.gz ZHYDDLIXBNJIFZ-UHFFFAOYSA-N 1 2 339.237 2.238 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(SCC#N)c1 ZINC000375902657 466881344 /nfs/dbraw/zinc/88/13/44/466881344.db2.gz QDKJLXHTMVPBDN-ZBFHGGJFSA-N 1 2 345.468 2.237 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000365834333 466956397 /nfs/dbraw/zinc/95/63/97/466956397.db2.gz GTFKPFGBJAKDFK-OAHLLOKOSA-N 1 2 330.409 2.414 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000365834333 466956400 /nfs/dbraw/zinc/95/64/00/466956400.db2.gz GTFKPFGBJAKDFK-OAHLLOKOSA-N 1 2 330.409 2.414 20 30 EEEDLO Cc1cccc2[nH+]c(CNC(=O)c3ncc(C#N)cc3Cl)cn21 ZINC000428021277 467194207 /nfs/dbraw/zinc/19/42/07/467194207.db2.gz MJVFVNICAOIWMF-UHFFFAOYSA-N 1 2 325.759 2.493 20 30 EEEDLO N#Cc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1F ZINC000450903476 467202260 /nfs/dbraw/zinc/20/22/60/467202260.db2.gz CRUOXHZXCQGZQG-CQSZACIVSA-N 1 2 341.390 2.308 20 30 EEEDLO N#Cc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1F ZINC000450903476 467202264 /nfs/dbraw/zinc/20/22/64/467202264.db2.gz CRUOXHZXCQGZQG-CQSZACIVSA-N 1 2 341.390 2.308 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH2+]C(C)(C)c1cc(C(F)(F)F)on1 ZINC000429273813 467318707 /nfs/dbraw/zinc/31/87/07/467318707.db2.gz RACLBXUGXUMCNZ-UHFFFAOYSA-N 1 2 332.326 2.280 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(F)c(Br)c1 ZINC000414139598 467382231 /nfs/dbraw/zinc/38/22/31/467382231.db2.gz GJMHDFSDXCPXHH-JTQLQIEISA-N 1 2 331.185 2.173 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(F)c(Br)c1 ZINC000414139598 467382235 /nfs/dbraw/zinc/38/22/35/467382235.db2.gz GJMHDFSDXCPXHH-JTQLQIEISA-N 1 2 331.185 2.173 20 30 EEEDLO COc1cccc(Br)c1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414156830 467383964 /nfs/dbraw/zinc/38/39/64/467383964.db2.gz XATQAPHQBILKTE-NSHDSACASA-N 1 2 343.221 2.043 20 30 EEEDLO COc1cccc(Br)c1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414156830 467383968 /nfs/dbraw/zinc/38/39/68/467383968.db2.gz XATQAPHQBILKTE-NSHDSACASA-N 1 2 343.221 2.043 20 30 EEEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437158029 467555855 /nfs/dbraw/zinc/55/58/55/467555855.db2.gz WMMXMKSDKLMNIG-MNOVXSKESA-N 1 2 346.399 2.413 20 30 EEEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437158029 467555856 /nfs/dbraw/zinc/55/58/56/467555856.db2.gz WMMXMKSDKLMNIG-MNOVXSKESA-N 1 2 346.399 2.413 20 30 EEEDLO CCC(=O)N1CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000525270490 467641800 /nfs/dbraw/zinc/64/18/00/467641800.db2.gz RNRNDUKTQQMSBA-UHFFFAOYSA-N 1 2 339.399 2.053 20 30 EEEDLO CCC(=O)N1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000525270490 467641803 /nfs/dbraw/zinc/64/18/03/467641803.db2.gz RNRNDUKTQQMSBA-UHFFFAOYSA-N 1 2 339.399 2.053 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000527297619 467657633 /nfs/dbraw/zinc/65/76/33/467657633.db2.gz YKBBOLIHCAUXMW-CRAIPNDOSA-N 1 2 327.428 2.185 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000527297619 467657636 /nfs/dbraw/zinc/65/76/36/467657636.db2.gz YKBBOLIHCAUXMW-CRAIPNDOSA-N 1 2 327.428 2.185 20 30 EEEDLO N#Cc1ccccc1CN(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000449762005 467709605 /nfs/dbraw/zinc/70/96/05/467709605.db2.gz DAQFMGFCOWEXPH-UHFFFAOYSA-N 1 2 325.412 2.486 20 30 EEEDLO C=CC[N@@H+](CCC#N)C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000497000903 467778951 /nfs/dbraw/zinc/77/89/51/467778951.db2.gz VFNKWVPJTJFDED-INIZCTEOSA-N 1 2 337.464 2.396 20 30 EEEDLO C=CC[N@H+](CCC#N)C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000497000903 467778956 /nfs/dbraw/zinc/77/89/56/467778956.db2.gz VFNKWVPJTJFDED-INIZCTEOSA-N 1 2 337.464 2.396 20 30 EEEDLO Cn1cc([C@@H]2C[N@H+](CC3(C#N)CC3)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC000497257203 467908892 /nfs/dbraw/zinc/90/88/92/467908892.db2.gz MCZUVZWEDWICRL-LSDHHAIUSA-N 1 2 345.447 2.016 20 30 EEEDLO Cn1cc([C@@H]2C[N@@H+](CC3(C#N)CC3)C[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC000497257203 467908894 /nfs/dbraw/zinc/90/88/94/467908894.db2.gz MCZUVZWEDWICRL-LSDHHAIUSA-N 1 2 345.447 2.016 20 30 EEEDLO CCOc1ccc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1OC ZINC000493465461 467917069 /nfs/dbraw/zinc/91/70/69/467917069.db2.gz QVOVAIGBSDOWGX-IQBZNYMQSA-N 1 2 331.416 2.067 20 30 EEEDLO Cc1nc2sccn2c1C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000530335637 467977032 /nfs/dbraw/zinc/97/70/32/467977032.db2.gz YCUKFJPXVVSSOQ-LBPRGKRZSA-N 1 2 331.445 2.087 20 30 EEEDLO Cc1nc2sccn2c1C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000530335637 467977036 /nfs/dbraw/zinc/97/70/36/467977036.db2.gz YCUKFJPXVVSSOQ-LBPRGKRZSA-N 1 2 331.445 2.087 20 30 EEEDLO CCn1cc[nH+]c1/C=C\C(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000493871481 468000898 /nfs/dbraw/zinc/00/08/98/468000898.db2.gz PUOYAIVJVUFREW-HJWRWDBZSA-N 1 2 338.411 2.463 20 30 EEEDLO CCC(CC)[C@@H](C(=O)Nc1cc(CC#N)ccn1)[NH+]1CCOCC1 ZINC000531669682 468068286 /nfs/dbraw/zinc/06/82/86/468068286.db2.gz CUUBUKVMHYHXNZ-KRWDZBQOSA-N 1 2 330.432 2.223 20 30 EEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(C#Cc4ccccc4)cc3)C[C@H]21 ZINC000532378266 468115575 /nfs/dbraw/zinc/11/55/75/468115575.db2.gz BARSSDQWYUDKCA-RTWAWAEBSA-N 1 2 346.430 2.241 20 30 EEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(C#Cc4ccccc4)cc3)C[C@H]21 ZINC000532378266 468115576 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327.428 2.317 20 30 EEEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000766900866 577526701 /nfs/dbraw/zinc/52/67/01/577526701.db2.gz GOIITIZXVWMFES-CYBMUJFWSA-N 1 2 341.333 2.162 20 30 EEEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000766900866 577526702 /nfs/dbraw/zinc/52/67/02/577526702.db2.gz GOIITIZXVWMFES-CYBMUJFWSA-N 1 2 341.333 2.162 20 30 EEEDLO C#CCC(C)(C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000767047785 577529626 /nfs/dbraw/zinc/52/96/26/577529626.db2.gz RPONTNXEBLDRIR-UHFFFAOYSA-N 1 2 342.439 2.152 20 30 EEEDLO COC[C@@]1(C)CC(=O)N(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000767986705 577548680 /nfs/dbraw/zinc/54/86/80/577548680.db2.gz LONCCWWWMNAUAB-FQEVSTJZSA-N 1 2 339.439 2.490 20 30 EEEDLO COC[C@@]1(C)CC(=O)N(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000767986705 577548681 /nfs/dbraw/zinc/54/86/81/577548681.db2.gz LONCCWWWMNAUAB-FQEVSTJZSA-N 1 2 339.439 2.490 20 30 EEEDLO C#CCNC(=S)N1CC[NH+]([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000758185479 577617882 /nfs/dbraw/zinc/61/78/82/577617882.db2.gz SGAOFYOJPIANNX-ZDUSSCGKSA-N 1 2 344.509 2.483 20 30 EEEDLO N#Cc1cnc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000759628165 577646737 /nfs/dbraw/zinc/64/67/37/577646737.db2.gz XXRSKNCTUMDFNR-UHFFFAOYSA-N 1 2 328.397 2.099 20 30 EEEDLO Cc1ccc2[nH+]c(COC(=O)C#Cc3ccc4c(c3)OCO4)cn2c1 ZINC000761220323 577679510 /nfs/dbraw/zinc/67/95/10/577679510.db2.gz QONJIIAHRHWQNH-UHFFFAOYSA-N 1 2 334.331 2.466 20 30 EEEDLO C[N@H+](CC(=O)NCCC#N)Cc1ccc(Br)c(F)c1 ZINC000755192498 577821581 /nfs/dbraw/zinc/82/15/81/577821581.db2.gz COWMHGHCOGJBKC-UHFFFAOYSA-N 1 2 328.185 2.050 20 30 EEEDLO C[N@@H+](CC(=O)NCCC#N)Cc1ccc(Br)c(F)c1 ZINC000755192498 577821582 /nfs/dbraw/zinc/82/15/82/577821582.db2.gz COWMHGHCOGJBKC-UHFFFAOYSA-N 1 2 328.185 2.050 20 30 EEEDLO C=C(C)[C@H](CC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1)OCC ZINC000755916058 577834144 /nfs/dbraw/zinc/83/41/44/577834144.db2.gz CLQWBVYCUZOKPL-AWEZNQCLSA-N 1 2 339.505 2.383 20 30 EEEDLO CC(C)COC(=O)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000749254470 577973612 /nfs/dbraw/zinc/97/36/12/577973612.db2.gz SKNILPQSKORZAY-UHFFFAOYSA-N 1 2 331.416 2.347 20 30 EEEDLO C[C@@H](NC(=O)c1ccc(F)nc1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969390974 674936296 /nfs/dbraw/zinc/93/62/96/674936296.db2.gz DVTVQHGSUQNDTO-CYBMUJFWSA-N 1 2 338.386 2.343 20 30 EEEDLO Cc1nc(C[NH+]2CC([C@@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)c(C)s1 ZINC000969463948 675059670 /nfs/dbraw/zinc/05/96/70/675059670.db2.gz YIPWLLZGQHJSBZ-SNVBAGLBSA-N 1 2 343.456 2.210 20 30 EEEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2cc(F)ccc2F)C1 ZINC000969526962 675089345 /nfs/dbraw/zinc/08/93/45/675089345.db2.gz SDDXZIGHHOSOBU-LLVKDONJSA-N 1 2 344.365 2.415 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(-c3ccco3)n[nH]2)C1 ZINC000970473546 675920946 /nfs/dbraw/zinc/92/09/46/675920946.db2.gz PCQDTAVTDSWMTP-NSHDSACASA-N 1 2 334.807 2.472 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnnc3ccccc32)C1 ZINC000970491762 675934887 /nfs/dbraw/zinc/93/48/87/675934887.db2.gz CTQYZMWVHOSQCB-GFCCVEGCSA-N 1 2 330.819 2.432 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnn3cc(OC)ccc23)C1 ZINC000970599353 676012711 /nfs/dbraw/zinc/01/27/11/676012711.db2.gz HUHWJCMTUZFMDE-GFCCVEGCSA-N 1 2 348.834 2.146 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](Cc3nc(C)cs3)C2)cn1 ZINC000970765830 676133557 /nfs/dbraw/zinc/13/35/57/676133557.db2.gz GVTYOYOPJQPJNL-ZDUSSCGKSA-N 1 2 340.452 2.078 20 30 EEEDLO C[C@H](NC(=O)c1ccns1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969771425 675198843 /nfs/dbraw/zinc/19/88/43/675198843.db2.gz BRQHHDNJHUOYQX-LBPRGKRZSA-N 1 2 326.425 2.265 20 30 EEEDLO COC1CC(C(=O)N[C@H](C)C2C[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC000969917386 675304800 /nfs/dbraw/zinc/30/48/00/675304800.db2.gz XUVBQWPJWYJWKI-RFSCMCKOSA-N 1 2 345.418 2.059 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC000970238039 675734114 /nfs/dbraw/zinc/73/41/14/675734114.db2.gz WWWNDCYKLDMNCP-LLVKDONJSA-N 1 2 347.850 2.079 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc3ccccc3nn2)C1 ZINC000970247248 675740542 /nfs/dbraw/zinc/74/05/42/675740542.db2.gz BPCXBJFFXHAKBJ-GFCCVEGCSA-N 1 2 330.819 2.432 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](Cc3ccns3)C2)cc1 ZINC000970256693 675750363 /nfs/dbraw/zinc/75/03/63/675750363.db2.gz OQKZFXWVCOZZMH-CYBMUJFWSA-N 1 2 325.437 2.375 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H](C)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000970363050 675812270 /nfs/dbraw/zinc/81/22/70/675812270.db2.gz IDPIOQKMOLJCCV-ZDUSSCGKSA-N 1 2 341.386 2.224 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C3CCCC3)n2)C1 ZINC000971219119 676446087 /nfs/dbraw/zinc/44/60/87/676446087.db2.gz WQQSNHCGOJRJDR-RHSMWYFYSA-N 1 2 329.448 2.191 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C3CCCC3)n2)C1 ZINC000971219119 676446088 /nfs/dbraw/zinc/44/60/88/676446088.db2.gz WQQSNHCGOJRJDR-RHSMWYFYSA-N 1 2 329.448 2.191 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc(C(C)C)s3)C2)C1 ZINC000972702593 679685589 /nfs/dbraw/zinc/68/55/89/679685589.db2.gz LDIOQCDNBTTYFM-GOSISDBHSA-N 1 2 347.484 2.207 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc(C(C)C)s3)C2)C1 ZINC000972702593 679685592 /nfs/dbraw/zinc/68/55/92/679685592.db2.gz LDIOQCDNBTTYFM-GOSISDBHSA-N 1 2 347.484 2.207 20 30 EEEDLO Cc1n[nH]c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(C#N)ccc3F)C2)c1C ZINC001021914184 676547817 /nfs/dbraw/zinc/54/78/17/676547817.db2.gz RLTAXNMPZLLBQG-GASCZTMLSA-N 1 2 341.390 2.088 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000891606497 676716229 /nfs/dbraw/zinc/71/62/29/676716229.db2.gz OADWZXUTOXUVIU-KRWDZBQOSA-N 1 2 341.455 2.136 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000891606497 676716232 /nfs/dbraw/zinc/71/62/32/676716232.db2.gz OADWZXUTOXUVIU-KRWDZBQOSA-N 1 2 341.455 2.136 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(OC)no2)C1 ZINC000971688575 676738724 /nfs/dbraw/zinc/73/87/24/676738724.db2.gz YGNUGIWIBTYJLN-CQSZACIVSA-N 1 2 344.415 2.017 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(OC)no2)C1 ZINC000971688575 676738725 /nfs/dbraw/zinc/73/87/25/676738725.db2.gz YGNUGIWIBTYJLN-CQSZACIVSA-N 1 2 344.415 2.017 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3noc(C(C)C)n3)C2)cc1 ZINC001022527417 677824757 /nfs/dbraw/zinc/82/47/57/677824757.db2.gz WUCUIAORBFLKBN-IYBDPMFKSA-N 1 2 338.411 2.225 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)c(C)s2)C1 ZINC000972374334 678618629 /nfs/dbraw/zinc/61/86/29/678618629.db2.gz RKIVPEREZZOFDW-OAGGEKHMSA-N 1 2 349.500 2.384 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)c(C)s2)C1 ZINC000972374334 678618634 /nfs/dbraw/zinc/61/86/34/678618634.db2.gz RKIVPEREZZOFDW-OAGGEKHMSA-N 1 2 349.500 2.384 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)C1 ZINC000972430825 678730162 /nfs/dbraw/zinc/73/01/62/678730162.db2.gz KXPFYMQBESTAOE-JZXOWHBKSA-N 1 2 332.469 2.341 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)C1 ZINC000972430825 678730165 /nfs/dbraw/zinc/73/01/65/678730165.db2.gz KXPFYMQBESTAOE-JZXOWHBKSA-N 1 2 332.469 2.341 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)c3c(C)noc3C)C2)C1 ZINC000972433765 678734921 /nfs/dbraw/zinc/73/49/21/678734921.db2.gz CIFDMEZBXSBOHB-LIRRHRJNSA-N 1 2 347.459 2.274 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)c3c(C)noc3C)C2)C1 ZINC000972433765 678734925 /nfs/dbraw/zinc/73/49/25/678734925.db2.gz CIFDMEZBXSBOHB-LIRRHRJNSA-N 1 2 347.459 2.274 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](c3ccncc3)C(C)C)C2)C1 ZINC000972518865 679143469 /nfs/dbraw/zinc/14/34/69/679143469.db2.gz PMXKIBMLVQRVJM-AZUAARDMSA-N 1 2 343.471 2.311 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](c3ccncc3)C(C)C)C2)C1 ZINC000972518865 679143470 /nfs/dbraw/zinc/14/34/70/679143470.db2.gz PMXKIBMLVQRVJM-AZUAARDMSA-N 1 2 343.471 2.311 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4ncccc4c3)C2)C1 ZINC000972535158 679202854 /nfs/dbraw/zinc/20/28/54/679202854.db2.gz QXWRKSJWYNWRRP-OAQYLSRUSA-N 1 2 349.434 2.175 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4ncccc4c3)C2)C1 ZINC000972535158 679202857 /nfs/dbraw/zinc/20/28/57/679202857.db2.gz QXWRKSJWYNWRRP-OAQYLSRUSA-N 1 2 349.434 2.175 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H](CNC(=O)c2ocnc2C)C1 ZINC001023292618 679234646 /nfs/dbraw/zinc/23/46/46/679234646.db2.gz YXRLPXBVKVJWOX-GFCCVEGCSA-N 1 2 342.237 2.333 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H](CNC(=O)c2ocnc2C)C1 ZINC001023292618 679234648 /nfs/dbraw/zinc/23/46/48/679234648.db2.gz YXRLPXBVKVJWOX-GFCCVEGCSA-N 1 2 342.237 2.333 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC001023415072 679298261 /nfs/dbraw/zinc/29/82/61/679298261.db2.gz HQNCDVBLZZSWBS-INIZCTEOSA-N 1 2 339.443 2.106 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC001023415072 679298262 /nfs/dbraw/zinc/29/82/62/679298262.db2.gz HQNCDVBLZZSWBS-INIZCTEOSA-N 1 2 339.443 2.106 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3nonc3C)C2)cc1 ZINC001023527277 679360655 /nfs/dbraw/zinc/36/06/55/679360655.db2.gz SKRMCSHPCMTQFP-MRXNPFEDSA-N 1 2 338.411 2.001 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3nonc3C)C2)cc1 ZINC001023527277 679360656 /nfs/dbraw/zinc/36/06/56/679360656.db2.gz SKRMCSHPCMTQFP-MRXNPFEDSA-N 1 2 338.411 2.001 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc([C@@H](C)CC)no3)C2)C1 ZINC000972585338 679362275 /nfs/dbraw/zinc/36/22/75/679362275.db2.gz KPRFKLRUWGLELU-KSSFIOAISA-N 1 2 333.432 2.291 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc([C@@H](C)CC)no3)C2)C1 ZINC000972585338 679362276 /nfs/dbraw/zinc/36/22/76/679362276.db2.gz KPRFKLRUWGLELU-KSSFIOAISA-N 1 2 333.432 2.291 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCc4ccccc43)C2)C1 ZINC000972600872 679406685 /nfs/dbraw/zinc/40/66/85/679406685.db2.gz DCBHIWWHIKCRHI-WIYYLYMNSA-N 1 2 338.451 2.043 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCc4ccccc43)C2)C1 ZINC000972600872 679406686 /nfs/dbraw/zinc/40/66/86/679406686.db2.gz DCBHIWWHIKCRHI-WIYYLYMNSA-N 1 2 338.451 2.043 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4cccnc4c3)C2)C1 ZINC000972605454 679417167 /nfs/dbraw/zinc/41/71/67/679417167.db2.gz OIEMOYMJRBKDMR-NRFANRHFSA-N 1 2 349.434 2.175 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4cccnc4c3)C2)C1 ZINC000972605454 679417168 /nfs/dbraw/zinc/41/71/68/679417168.db2.gz OIEMOYMJRBKDMR-NRFANRHFSA-N 1 2 349.434 2.175 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cc(C)cc(C)c3)C2)C1 ZINC000972628068 679454213 /nfs/dbraw/zinc/45/42/13/679454213.db2.gz MYEBPERTEXEAPY-OAQYLSRUSA-N 1 2 340.467 2.173 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cc(C)cc(C)c3)C2)C1 ZINC000972628068 679454215 /nfs/dbraw/zinc/45/42/15/679454215.db2.gz MYEBPERTEXEAPY-OAQYLSRUSA-N 1 2 340.467 2.173 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cccc4ccccc43)C2)C1 ZINC000972650952 679510567 /nfs/dbraw/zinc/51/05/67/679510567.db2.gz QREGIKDDVIFNCK-JOCHJYFZSA-N 1 2 348.446 2.319 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cccc4ccccc43)C2)C1 ZINC000972650952 679510571 /nfs/dbraw/zinc/51/05/71/679510571.db2.gz QREGIKDDVIFNCK-JOCHJYFZSA-N 1 2 348.446 2.319 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Oc3cccc(C)c3)C2)C1 ZINC000972668185 679553476 /nfs/dbraw/zinc/55/34/76/679553476.db2.gz VSBDYHKCRUKVQW-XLIONFOSSA-N 1 2 344.455 2.252 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Oc3cccc(C)c3)C2)C1 ZINC000972668185 679553478 /nfs/dbraw/zinc/55/34/78/679553478.db2.gz VSBDYHKCRUKVQW-XLIONFOSSA-N 1 2 344.455 2.252 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3ccccc3F)C2)C1 ZINC000972669794 679562570 /nfs/dbraw/zinc/56/25/70/679562570.db2.gz SCAQGYJTVILRSA-HXUWFJFHSA-N 1 2 344.430 2.085 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3ccccc3F)C2)C1 ZINC000972669794 679562571 /nfs/dbraw/zinc/56/25/71/679562571.db2.gz SCAQGYJTVILRSA-HXUWFJFHSA-N 1 2 344.430 2.085 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3csc(C)n3)C2)nc1 ZINC000972757236 679750388 /nfs/dbraw/zinc/75/03/88/679750388.db2.gz WVWHBOPDBJOANM-MRXNPFEDSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3csc(C)n3)C2)nc1 ZINC000972757236 679750389 /nfs/dbraw/zinc/75/03/89/679750389.db2.gz WVWHBOPDBJOANM-MRXNPFEDSA-N 1 2 340.452 2.174 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cncc(F)c2)c1 ZINC001024380049 679888478 /nfs/dbraw/zinc/88/84/78/679888478.db2.gz GEFRJKXOUMKABS-INIZCTEOSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cncc(F)c2)c1 ZINC001024380049 679888479 /nfs/dbraw/zinc/88/84/79/679888479.db2.gz GEFRJKXOUMKABS-INIZCTEOSA-N 1 2 341.390 2.205 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc2n[nH]nc21 ZINC001024454594 679914691 /nfs/dbraw/zinc/91/46/91/679914691.db2.gz GEOBWTNWJLZSKS-GFCCVEGCSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc2n[nH]nc21 ZINC001024454594 679914688 /nfs/dbraw/zinc/91/46/88/679914688.db2.gz GEOBWTNWJLZSKS-GFCCVEGCSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccn(CC(F)F)n2)C(C)(C)C1 ZINC000974709602 685287281 /nfs/dbraw/zinc/28/72/81/685287281.db2.gz RXVNBYBVKQBCES-LBPRGKRZSA-N 1 2 346.809 2.341 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccn(CC(F)F)n2)C(C)(C)C1 ZINC000974709602 685287288 /nfs/dbraw/zinc/28/72/88/685287288.db2.gz RXVNBYBVKQBCES-LBPRGKRZSA-N 1 2 346.809 2.341 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)C1CC(OC)C1 ZINC001024495428 679980379 /nfs/dbraw/zinc/98/03/79/679980379.db2.gz KNTRHHBWUKTLOS-MOKVOYLWSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CC(OC)C1 ZINC001024495428 679980384 /nfs/dbraw/zinc/98/03/84/679980384.db2.gz KNTRHHBWUKTLOS-MOKVOYLWSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]c(=O)cc1OC ZINC001024654775 681323305 /nfs/dbraw/zinc/32/33/05/681323305.db2.gz RHPYWWKFWOHDPZ-GFCCVEGCSA-N 1 2 339.823 2.133 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]c(=O)cc1OC ZINC001024654775 681323310 /nfs/dbraw/zinc/32/33/10/681323310.db2.gz RHPYWWKFWOHDPZ-GFCCVEGCSA-N 1 2 339.823 2.133 20 30 EEEDLO C[C@@]1(C(=O)N2CCC[N@H+](CC#Cc3ccc(F)cc3)CC2)CCOC1 ZINC000982824358 681334029 /nfs/dbraw/zinc/33/40/29/681334029.db2.gz HYGPZELLLLXMPF-HXUWFJFHSA-N 1 2 344.430 2.138 20 30 EEEDLO C[C@@]1(C(=O)N2CCC[N@@H+](CC#Cc3ccc(F)cc3)CC2)CCOC1 ZINC000982824358 681334031 /nfs/dbraw/zinc/33/40/31/681334031.db2.gz HYGPZELLLLXMPF-HXUWFJFHSA-N 1 2 344.430 2.138 20 30 EEEDLO Cc1c[nH]c(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)n1 ZINC001024701607 681361931 /nfs/dbraw/zinc/36/19/31/681361931.db2.gz RAWGHATUWZXFKY-KRWDZBQOSA-N 1 2 337.427 2.374 20 30 EEEDLO Cc1c[nH]c(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)n1 ZINC001024701607 681361935 /nfs/dbraw/zinc/36/19/35/681361935.db2.gz RAWGHATUWZXFKY-KRWDZBQOSA-N 1 2 337.427 2.374 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cnc2c(cnn2C)c1 ZINC001024730916 681391366 /nfs/dbraw/zinc/39/13/66/681391366.db2.gz ABSVRZKJBNBJPD-HNNXBMFYSA-N 1 2 347.850 2.305 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnc2c(cnn2C)c1 ZINC001024730916 681391371 /nfs/dbraw/zinc/39/13/71/681391371.db2.gz ABSVRZKJBNBJPD-HNNXBMFYSA-N 1 2 347.850 2.305 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCC2(F)F)s1 ZINC001038398945 681403037 /nfs/dbraw/zinc/40/30/37/681403037.db2.gz SDEBKYFPXULIOD-MFKMUULPSA-N 1 2 325.384 2.356 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCC2(F)F)s1 ZINC001038398945 681403039 /nfs/dbraw/zinc/40/30/39/681403039.db2.gz SDEBKYFPXULIOD-MFKMUULPSA-N 1 2 325.384 2.356 20 30 EEEDLO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc2c1CCCCC2 ZINC001024795254 681449059 /nfs/dbraw/zinc/44/90/59/681449059.db2.gz CWGURUOSTRXRPW-HNNXBMFYSA-N 1 2 328.460 2.286 20 30 EEEDLO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc2c1CCCCC2 ZINC001024795254 681449061 /nfs/dbraw/zinc/44/90/61/681449061.db2.gz CWGURUOSTRXRPW-HNNXBMFYSA-N 1 2 328.460 2.286 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(N(C)C)ccn1 ZINC001024821406 681468688 /nfs/dbraw/zinc/46/86/88/681468688.db2.gz NKPOWCUJEMBSEO-HNNXBMFYSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(N(C)C)ccn1 ZINC001024821406 681468691 /nfs/dbraw/zinc/46/86/91/681468691.db2.gz NKPOWCUJEMBSEO-HNNXBMFYSA-N 1 2 336.867 2.484 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(F)cn2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973052130 681944362 /nfs/dbraw/zinc/94/43/62/681944362.db2.gz OPLCOVBFTXSZKV-MRXNPFEDSA-N 1 2 341.390 2.061 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(F)cn2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973052130 681944364 /nfs/dbraw/zinc/94/43/64/681944364.db2.gz OPLCOVBFTXSZKV-MRXNPFEDSA-N 1 2 341.390 2.061 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnc(Cl)n2C)C(C)(C)C1 ZINC000974816936 685573622 /nfs/dbraw/zinc/57/36/22/685573622.db2.gz CRWDRJUBBOLSTG-LLVKDONJSA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnc(Cl)n2C)C(C)(C)C1 ZINC000974816936 685573624 /nfs/dbraw/zinc/57/36/24/685573624.db2.gz CRWDRJUBBOLSTG-LLVKDONJSA-N 1 2 331.247 2.266 20 30 EEEDLO Cc1cnc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)[C@H]2C)cn1 ZINC000993010669 683744189 /nfs/dbraw/zinc/74/41/89/683744189.db2.gz DSAPITAMRQAKEH-MAUKXSAKSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1cnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)[C@H]2C)cn1 ZINC000993010669 683744192 /nfs/dbraw/zinc/74/41/92/683744192.db2.gz DSAPITAMRQAKEH-MAUKXSAKSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1csc(C[N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C)n1 ZINC000993171317 684037114 /nfs/dbraw/zinc/03/71/14/684037114.db2.gz ORJJDGJPUHCJGC-JSGCOSHPSA-N 1 2 343.456 2.434 20 30 EEEDLO Cc1csc(C[N@@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C)n1 ZINC000993171317 684037119 /nfs/dbraw/zinc/03/71/19/684037119.db2.gz ORJJDGJPUHCJGC-JSGCOSHPSA-N 1 2 343.456 2.434 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3nocc3C)C2)cn1 ZINC001027656771 693815666 /nfs/dbraw/zinc/81/56/66/693815666.db2.gz YWGYMWLXGYHRFN-QGZVFWFLSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3nocc3C)C2)cn1 ZINC001027656771 693815667 /nfs/dbraw/zinc/81/56/67/693815667.db2.gz YWGYMWLXGYHRFN-QGZVFWFLSA-N 1 2 338.411 2.096 20 30 EEEDLO C[C@H]1C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)CO1 ZINC001029365932 684108526 /nfs/dbraw/zinc/10/85/26/684108526.db2.gz ARUGVDSHPDZFIL-FRYIKTPZSA-N 1 2 338.451 2.138 20 30 EEEDLO C[C@H]1C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)CO1 ZINC001029365932 684108529 /nfs/dbraw/zinc/10/85/29/684108529.db2.gz ARUGVDSHPDZFIL-FRYIKTPZSA-N 1 2 338.451 2.138 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001059316638 684127654 /nfs/dbraw/zinc/12/76/54/684127654.db2.gz XGDMXTCURILUOA-MRXNPFEDSA-N 1 2 346.475 2.248 20 30 EEEDLO N#Cc1ccccc1C[NH2+]C[C@H]1C[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000984180467 684205592 /nfs/dbraw/zinc/20/55/92/684205592.db2.gz SYVBBVPSQHNBSX-SAZUREKKSA-N 1 2 349.438 2.068 20 30 EEEDLO O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)N2CC#Cc1ccccc1 ZINC001029415294 684384929 /nfs/dbraw/zinc/38/49/29/684384929.db2.gz ZMTDBXQFGRAREQ-BGYRXZFFSA-N 1 2 348.450 2.000 20 30 EEEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1cc(Br)cnc1C#N ZINC000895801331 684730596 /nfs/dbraw/zinc/73/05/96/684730596.db2.gz HZNQGSRPIJMQMA-LBPRGKRZSA-N 1 2 339.237 2.238 20 30 EEEDLO C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029527488 685698047 /nfs/dbraw/zinc/69/80/47/685698047.db2.gz KGODYEPEYMKAMX-IJXRJRJASA-N 1 2 338.451 2.138 20 30 EEEDLO C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029527488 685698053 /nfs/dbraw/zinc/69/80/53/685698053.db2.gz KGODYEPEYMKAMX-IJXRJRJASA-N 1 2 338.451 2.138 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC000975021035 686033423 /nfs/dbraw/zinc/03/34/23/686033423.db2.gz IOLGRRSARQYJLT-SPYBWZPUSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C(C)(C)C1 ZINC000975042108 686065765 /nfs/dbraw/zinc/06/57/65/686065765.db2.gz RMFQVRDFBCFLMX-UMVBOHGHSA-N 1 2 336.867 2.103 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C(C)(C)C1 ZINC000975042108 686065773 /nfs/dbraw/zinc/06/57/73/686065773.db2.gz RMFQVRDFBCFLMX-UMVBOHGHSA-N 1 2 336.867 2.103 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000305056788 687037679 /nfs/dbraw/zinc/03/76/79/687037679.db2.gz CUHIDDHTMRXSHU-LJQANCHMSA-N 1 2 333.391 2.143 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000305056788 687037682 /nfs/dbraw/zinc/03/76/82/687037682.db2.gz CUHIDDHTMRXSHU-LJQANCHMSA-N 1 2 333.391 2.143 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H](C[N@H+](C)Cc2nc(N(C)C)no2)C1 ZINC001029826840 687224360 /nfs/dbraw/zinc/22/43/60/687224360.db2.gz WGPKRXXHVGWWBG-RDTXWAMCSA-N 1 2 349.479 2.018 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H](C[N@@H+](C)Cc2nc(N(C)C)no2)C1 ZINC001029826840 687224365 /nfs/dbraw/zinc/22/43/65/687224365.db2.gz WGPKRXXHVGWWBG-RDTXWAMCSA-N 1 2 349.479 2.018 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001009299949 687256708 /nfs/dbraw/zinc/25/67/08/687256708.db2.gz OAMAXUQUHCSOHQ-LBPRGKRZSA-N 1 2 346.818 2.282 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001009299949 687256712 /nfs/dbraw/zinc/25/67/12/687256712.db2.gz OAMAXUQUHCSOHQ-LBPRGKRZSA-N 1 2 346.818 2.282 20 30 EEEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)[C@H]1CCCO1 ZINC001027738497 694242987 /nfs/dbraw/zinc/24/29/87/694242987.db2.gz YDUAAOKZUYIFQB-FUHWJXTLSA-N 1 2 346.858 2.451 20 30 EEEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)[C@H]1CCCO1 ZINC001027738497 694242991 /nfs/dbraw/zinc/24/29/91/694242991.db2.gz YDUAAOKZUYIFQB-FUHWJXTLSA-N 1 2 346.858 2.451 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3nc(CC)no3)C[C@@H]2C)cc1 ZINC000989280347 691572780 /nfs/dbraw/zinc/57/27/80/691572780.db2.gz GUZPMBQQTNLXHD-XJKSGUPXSA-N 1 2 338.411 2.006 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3cc(C)ns3)CC2)cn1 ZINC000989512872 692001293 /nfs/dbraw/zinc/00/12/93/692001293.db2.gz WQEGSUIXBDZXNT-UHFFFAOYSA-N 1 2 340.452 2.176 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](Cc3cc(C)ns3)CC2)cn1 ZINC000989512872 692001296 /nfs/dbraw/zinc/00/12/96/692001296.db2.gz WQEGSUIXBDZXNT-UHFFFAOYSA-N 1 2 340.452 2.176 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2ccc3c[nH]nc3c2)CC1 ZINC000989581874 692056691 /nfs/dbraw/zinc/05/66/91/692056691.db2.gz HLGSNTZEVXDCEH-UHFFFAOYSA-N 1 2 332.835 2.392 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2ccc3c[nH]nc3c2)CC1 ZINC000989581874 692056694 /nfs/dbraw/zinc/05/66/94/692056694.db2.gz HLGSNTZEVXDCEH-UHFFFAOYSA-N 1 2 332.835 2.392 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C)CC1 ZINC000989729060 692236492 /nfs/dbraw/zinc/23/64/92/692236492.db2.gz GWDURBVONBSVSO-ZBFHGGJFSA-N 1 2 344.459 2.194 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2nn(CC)nc2C)C1 ZINC001027522616 692621479 /nfs/dbraw/zinc/62/14/79/692621479.db2.gz YEGFZBAXEGLXLM-OAHLLOKOSA-N 1 2 333.480 2.241 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2nn(CC)nc2C)C1 ZINC001027522616 692621484 /nfs/dbraw/zinc/62/14/84/692621484.db2.gz YEGFZBAXEGLXLM-OAHLLOKOSA-N 1 2 333.480 2.241 20 30 EEEDLO C=C1CCC(C(=O)N2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000943343423 1192208929 /nfs/dbraw/zinc/20/89/29/1192208929.db2.gz UGPLWUOCIGSVLV-KRWDZBQOSA-N 1 2 344.459 2.127 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000943511237 1192321811 /nfs/dbraw/zinc/32/18/11/1192321811.db2.gz HAFXIWWKLRHHFH-OAHLLOKOSA-N 1 2 344.459 2.114 20 30 EEEDLO Cc1nc(NCCN(CCc2ccccc2)C(=O)[C@H](C)C#N)cc[nH+]1 ZINC001089881292 1192640050 /nfs/dbraw/zinc/64/00/50/1192640050.db2.gz ZUZNQGNSHQQUCY-OAHLLOKOSA-N 1 2 337.427 2.428 20 30 EEEDLO CCc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)no1 ZINC001032135887 1192766493 /nfs/dbraw/zinc/76/64/93/1192766493.db2.gz RSZCHPKPOOZPJT-UHFFFAOYSA-N 1 2 342.374 2.110 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc(OC)c(C)c(OC)c2)C1 ZINC001032173212 1192830045 /nfs/dbraw/zinc/83/00/45/1192830045.db2.gz SJXCCZACXNYFGW-UHFFFAOYSA-N 1 2 338.835 2.426 20 30 EEEDLO CC(F)(F)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001481022844 1179520421 /nfs/dbraw/zinc/52/04/21/1179520421.db2.gz UWJZGQQCJPDLCF-ZDUSSCGKSA-N 1 2 325.334 2.433 20 30 EEEDLO CC(F)(F)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001481022844 1179520425 /nfs/dbraw/zinc/52/04/25/1179520425.db2.gz UWJZGQQCJPDLCF-ZDUSSCGKSA-N 1 2 325.334 2.433 20 30 EEEDLO C=CC[C@@H](C)C(=O)N1C[C@@H](C(=O)NC(C)(C)C)[C@H](c2cn(C)c[nH+]2)C1 ZINC001268906976 1183808569 /nfs/dbraw/zinc/80/85/69/1183808569.db2.gz CILNBXISQKZEJT-RBSFLKMASA-N 1 2 346.475 2.089 20 30 EEEDLO Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C#N)n(C)c2)o1 ZINC001270135896 1184873216 /nfs/dbraw/zinc/87/32/16/1184873216.db2.gz VDCSQMRLNBBMGR-IYBDPMFKSA-N 1 2 338.411 2.287 20 30 EEEDLO Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C#N)n(C)c2)o1 ZINC001270135896 1184873219 /nfs/dbraw/zinc/87/32/19/1184873219.db2.gz VDCSQMRLNBBMGR-IYBDPMFKSA-N 1 2 338.411 2.287 20 30 EEEDLO CCC(CC)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001211903945 1186773743 /nfs/dbraw/zinc/77/37/43/1186773743.db2.gz SVYFXZRAHXEWCJ-QZTJIDSGSA-N 1 2 347.434 2.449 20 30 EEEDLO CCC(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001211903945 1186773744 /nfs/dbraw/zinc/77/37/44/1186773744.db2.gz SVYFXZRAHXEWCJ-QZTJIDSGSA-N 1 2 347.434 2.449 20 30 EEEDLO Cc1ocnc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088486211 1187017948 /nfs/dbraw/zinc/01/79/48/1187017948.db2.gz YNCDTRMAEPSXNN-BZNIZROVSA-N 1 2 342.374 2.387 20 30 EEEDLO Cc1ocnc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001088486211 1187017952 /nfs/dbraw/zinc/01/79/52/1187017952.db2.gz YNCDTRMAEPSXNN-BZNIZROVSA-N 1 2 342.374 2.387 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cc3n(n2)CCC3)CC[N@@H+]1Cc1ccccc1C#N ZINC001088607289 1187637753 /nfs/dbraw/zinc/63/77/53/1187637753.db2.gz OZNJBNYJGFUJOB-KDOFPFPSSA-N 1 2 349.438 2.094 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cc3n(n2)CCC3)CC[N@H+]1Cc1ccccc1C#N ZINC001088607289 1187637756 /nfs/dbraw/zinc/63/77/56/1187637756.db2.gz OZNJBNYJGFUJOB-KDOFPFPSSA-N 1 2 349.438 2.094 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)nc3ccnn3c2C)[C@H]1C ZINC001088682877 1188089513 /nfs/dbraw/zinc/08/95/13/1188089513.db2.gz UQDDUKVTXQAEDT-OCCSQVGLSA-N 1 2 347.850 2.291 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)nc3ccnn3c2C)[C@H]1C ZINC001088682877 1188089516 /nfs/dbraw/zinc/08/95/16/1188089516.db2.gz UQDDUKVTXQAEDT-OCCSQVGLSA-N 1 2 347.850 2.291 20 30 EEEDLO CCn1nnc(C)c1CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000842039040 1188241840 /nfs/dbraw/zinc/24/18/40/1188241840.db2.gz HXHINNLQIUXLGY-UHFFFAOYSA-N 1 2 338.209 2.206 20 30 EEEDLO CC#CCCCC(=O)N[C@@H](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001076547401 1188989106 /nfs/dbraw/zinc/98/91/06/1188989106.db2.gz TVRGGYQPOBJRMJ-JKSUJKDBSA-N 1 2 332.448 2.039 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001076692253 1189106294 /nfs/dbraw/zinc/10/62/94/1189106294.db2.gz LPMWFPNFWBQQFR-BFHYXJOUSA-N 1 2 332.448 2.127 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001076692253 1189106297 /nfs/dbraw/zinc/10/62/97/1189106297.db2.gz LPMWFPNFWBQQFR-BFHYXJOUSA-N 1 2 332.448 2.127 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001076712193 1189122333 /nfs/dbraw/zinc/12/23/33/1189122333.db2.gz UZDFKYBXHAWBOL-KBPBESRZSA-N 1 2 334.464 2.202 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001076712193 1189122334 /nfs/dbraw/zinc/12/23/34/1189122334.db2.gz UZDFKYBXHAWBOL-KBPBESRZSA-N 1 2 334.464 2.202 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001076860072 1189198770 /nfs/dbraw/zinc/19/87/70/1189198770.db2.gz NDSVEQLQYBSKSL-HNNXBMFYSA-N 1 2 346.475 2.129 20 30 EEEDLO C=CCCC(=O)N[C@@H](C)CCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001076905320 1189221748 /nfs/dbraw/zinc/22/17/48/1189221748.db2.gz MPYKTTWNZCZCHB-AWEZNQCLSA-N 1 2 349.500 2.083 20 30 EEEDLO C=CCCC(=O)N[C@@H](C)CCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001076905320 1189221752 /nfs/dbraw/zinc/22/17/52/1189221752.db2.gz MPYKTTWNZCZCHB-AWEZNQCLSA-N 1 2 349.500 2.083 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2sc(N)c(C#N)c2Cl)C1=O ZINC001272372213 1190790040 /nfs/dbraw/zinc/79/00/40/1190790040.db2.gz PTUSETLMCHBRFV-MRXNPFEDSA-N 1 2 348.859 2.055 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2sc(N)c(C#N)c2Cl)C1=O ZINC001272372213 1190790041 /nfs/dbraw/zinc/79/00/41/1190790041.db2.gz PTUSETLMCHBRFV-MRXNPFEDSA-N 1 2 348.859 2.055 20 30 EEEDLO C#CCN1c2ccccc2C2(CC[NH+](Cc3cc(C)[nH]n3)CC2)C1=O ZINC001272545158 1190873937 /nfs/dbraw/zinc/87/39/37/1190873937.db2.gz YDNYOBNTONZWEH-UHFFFAOYSA-N 1 2 334.423 2.232 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCC(=O)NCCC)[C@@H]1C ZINC001486182968 1193713110 /nfs/dbraw/zinc/71/31/10/1193713110.db2.gz BKEQEFUAXLTMHP-UONOGXRCSA-N 1 2 329.872 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCC(=O)NCCC)[C@@H]1C ZINC001486182968 1193713111 /nfs/dbraw/zinc/71/31/11/1193713111.db2.gz BKEQEFUAXLTMHP-UONOGXRCSA-N 1 2 329.872 2.014 20 30 EEEDLO C=CCN1C(=O)COCC12C[NH+](Cc1ccc(OCCC)cc1)C2 ZINC001272987660 1194296070 /nfs/dbraw/zinc/29/60/70/1194296070.db2.gz GTELBCDBYKGTJE-UHFFFAOYSA-N 1 2 330.428 2.075 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(-c3cccs3)on2)C1 ZINC001108107031 1194439483 /nfs/dbraw/zinc/43/94/83/1194439483.db2.gz ORLBPCSWZOGDHP-KRWDZBQOSA-N 1 2 347.440 2.410 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(-c3cccs3)on2)C1 ZINC001108107031 1194439485 /nfs/dbraw/zinc/43/94/85/1194439485.db2.gz ORLBPCSWZOGDHP-KRWDZBQOSA-N 1 2 347.440 2.410 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(N(C)C)cc2F)C1 ZINC001014716382 1224221062 /nfs/dbraw/zinc/22/10/62/1224221062.db2.gz LTDSKOQNAZPPRI-GFCCVEGCSA-N 1 2 325.815 2.448 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(N(C)C)cc2F)C1 ZINC001014716382 1224221066 /nfs/dbraw/zinc/22/10/66/1224221066.db2.gz LTDSKOQNAZPPRI-GFCCVEGCSA-N 1 2 325.815 2.448 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001033413167 1194531562 /nfs/dbraw/zinc/53/15/62/1194531562.db2.gz DISSKJHQMVJZSH-HNNXBMFYSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001033413167 1194531571 /nfs/dbraw/zinc/53/15/71/1194531571.db2.gz DISSKJHQMVJZSH-HNNXBMFYSA-N 1 2 345.834 2.166 20 30 EEEDLO Cc1cnoc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033550147 1194702623 /nfs/dbraw/zinc/70/26/23/1194702623.db2.gz GSPBYYBPRKKSBL-OAHLLOKOSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1cnoc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033550147 1194702627 /nfs/dbraw/zinc/70/26/27/1194702627.db2.gz GSPBYYBPRKKSBL-OAHLLOKOSA-N 1 2 342.374 2.340 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2csc(COC)n2)C1 ZINC001033567172 1194719126 /nfs/dbraw/zinc/71/91/26/1194719126.db2.gz WPIBZFVISGACJR-CYBMUJFWSA-N 1 2 343.880 2.117 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2csc(COC)n2)C1 ZINC001033567172 1194719130 /nfs/dbraw/zinc/71/91/30/1194719130.db2.gz WPIBZFVISGACJR-CYBMUJFWSA-N 1 2 343.880 2.117 20 30 EEEDLO CCN(C(=O)c1cnco1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033911528 1195487876 /nfs/dbraw/zinc/48/78/76/1195487876.db2.gz XJMWAMOGBGWZQC-HNNXBMFYSA-N 1 2 342.374 2.422 20 30 EEEDLO CCN(C(=O)c1cnco1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033911528 1195487878 /nfs/dbraw/zinc/48/78/78/1195487878.db2.gz XJMWAMOGBGWZQC-HNNXBMFYSA-N 1 2 342.374 2.422 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2Cc3ccncc3C2)C1 ZINC001033958506 1195560848 /nfs/dbraw/zinc/56/08/48/1195560848.db2.gz PYUKLRXDMXIMJJ-WBVHZDCISA-N 1 2 333.863 2.472 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2Cc3ccncc3C2)C1 ZINC001033958506 1195560851 /nfs/dbraw/zinc/56/08/51/1195560851.db2.gz PYUKLRXDMXIMJJ-WBVHZDCISA-N 1 2 333.863 2.472 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]2OCCN(c3nc(C)[nH+]c(C)c3C)[C@@H]2C1 ZINC001090176569 1195624070 /nfs/dbraw/zinc/62/40/70/1195624070.db2.gz KOVWURIPNVWPKL-SJORKVTESA-N 1 2 344.459 2.174 20 30 EEEDLO C[C@H]1[C@@H](Nc2ccc(C#N)nc2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001090220899 1196361126 /nfs/dbraw/zinc/36/11/26/1196361126.db2.gz ZGFPOWSEWQCPJY-YOEHRIQHSA-N 1 2 338.415 2.031 20 30 EEEDLO CC(C)[C@H](F)C(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108139743 1196520612 /nfs/dbraw/zinc/52/06/12/1196520612.db2.gz FDKFHFAMZHKTFH-HKUYNNGSSA-N 1 2 347.434 2.259 20 30 EEEDLO CC(C)[C@H](F)C(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108139743 1196520613 /nfs/dbraw/zinc/52/06/13/1196520613.db2.gz FDKFHFAMZHKTFH-HKUYNNGSSA-N 1 2 347.434 2.259 20 30 EEEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(F)c(F)c1F)CC2 ZINC001273287156 1197958444 /nfs/dbraw/zinc/95/84/44/1197958444.db2.gz SFKHFUIJDCHRFI-CYBMUJFWSA-N 1 2 336.357 2.455 20 30 EEEDLO Fc1cccnc1N=NCc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872372817 1198160864 /nfs/dbraw/zinc/16/08/64/1198160864.db2.gz ONYGGIDBBJYVBB-UHFFFAOYSA-N 1 2 344.390 2.378 20 30 EEEDLO C#CCN1C(=O)COCC12C[NH+](Cc1ccc(CCCC)s1)C2 ZINC001273395249 1198488961 /nfs/dbraw/zinc/48/89/61/1198488961.db2.gz FOGQEKVLXVTCQC-UHFFFAOYSA-N 1 2 332.469 2.137 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccccc1C(C)C ZINC001018247339 1224523317 /nfs/dbraw/zinc/52/33/17/1224523317.db2.gz YEBXWEBQUSJREY-CALCHBBNSA-N 1 2 326.440 2.497 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccccc1C(C)C ZINC001018247339 1224523320 /nfs/dbraw/zinc/52/33/20/1224523320.db2.gz YEBXWEBQUSJREY-CALCHBBNSA-N 1 2 326.440 2.497 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCc2ccco2)C1 ZINC001132073399 1199265803 /nfs/dbraw/zinc/26/58/03/1199265803.db2.gz VTEPERUQVRYVNT-HZPDHXFCSA-N 1 2 347.459 2.221 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCc2ccco2)C1 ZINC001132073399 1199265805 /nfs/dbraw/zinc/26/58/05/1199265805.db2.gz VTEPERUQVRYVNT-HZPDHXFCSA-N 1 2 347.459 2.221 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(OC)nn2)C1 ZINC001132235166 1199454191 /nfs/dbraw/zinc/45/41/91/1199454191.db2.gz JBHXMRNFAMNDPA-CVEARBPZSA-N 1 2 344.459 2.148 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001132235166 1199454194 /nfs/dbraw/zinc/45/41/94/1199454194.db2.gz JBHXMRNFAMNDPA-CVEARBPZSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)NCC3CC3)C2)CC1 ZINC001132277267 1199525585 /nfs/dbraw/zinc/52/55/85/1199525585.db2.gz DPALFQGFBVYHKK-YJBOKZPZSA-N 1 2 347.503 2.228 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)NCC3CC3)C2)CC1 ZINC001132277267 1199525588 /nfs/dbraw/zinc/52/55/88/1199525588.db2.gz DPALFQGFBVYHKK-YJBOKZPZSA-N 1 2 347.503 2.228 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCCCNC(C)=O)CC[C@@H]1C ZINC001132472873 1199761618 /nfs/dbraw/zinc/76/16/18/1199761618.db2.gz NLVPNTBTHZWUKK-HOCLYGCPSA-N 1 2 343.899 2.405 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCCCNC(C)=O)CC[C@@H]1C ZINC001132472873 1199761623 /nfs/dbraw/zinc/76/16/23/1199761623.db2.gz NLVPNTBTHZWUKK-HOCLYGCPSA-N 1 2 343.899 2.405 20 30 EEEDLO COCC#CC[N@@H+]1C[C@H](NC(=O)c2scnc2Cl)CC[C@@H]1C ZINC001132489495 1199789912 /nfs/dbraw/zinc/78/99/12/1199789912.db2.gz KORSECBEPXKQNY-NWDGAFQWSA-N 1 2 341.864 2.029 20 30 EEEDLO COCC#CC[N@H+]1C[C@H](NC(=O)c2scnc2Cl)CC[C@@H]1C ZINC001132489495 1199789915 /nfs/dbraw/zinc/78/99/15/1199789915.db2.gz KORSECBEPXKQNY-NWDGAFQWSA-N 1 2 341.864 2.029 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C2(CC)CCCCC2)CC[C@@H]1C ZINC001132509115 1199809226 /nfs/dbraw/zinc/80/92/26/1199809226.db2.gz RMQGFLOSTHEXBD-DLBZAZTESA-N 1 2 347.503 2.065 20 30 EEEDLO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)C2(CC)CCCCC2)CC[C@@H]1C ZINC001132509115 1199809227 /nfs/dbraw/zinc/80/92/27/1199809227.db2.gz RMQGFLOSTHEXBD-DLBZAZTESA-N 1 2 347.503 2.065 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nc(-c2ccsc2)no1 ZINC001132577456 1199874370 /nfs/dbraw/zinc/87/43/70/1199874370.db2.gz VZGBNVYBPIEJPR-NEPJUHHUSA-N 1 2 334.445 2.462 20 30 EEEDLO C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1CNCC#N ZINC001133012098 1200333103 /nfs/dbraw/zinc/33/31/03/1200333103.db2.gz PHRXYKATJFAPSR-WBVHZDCISA-N 1 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Cc1cccc([C@H](CNc2cc(C#N)nc(C)n2)[NH+]2CCOCC2)c1 ZINC000881803738 1201761967 /nfs/dbraw/zinc/76/19/67/1201761967.db2.gz FPGSPXPQAFBALY-SFHVURJKSA-N 1 2 337.427 2.451 20 30 EEEDLO CC(C)(CC#N)CS(=O)(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882837857 1201954504 /nfs/dbraw/zinc/95/45/04/1201954504.db2.gz RUKCQJWBQDDZGS-INIZCTEOSA-N 1 2 346.456 2.484 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(F)(F)C(F)F)C12CCC2 ZINC001202619087 1202191790 /nfs/dbraw/zinc/19/17/90/1202191790.db2.gz ZOMAYDGMKCGWMN-GHMZBOCLSA-N 1 2 338.345 2.106 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cnc(OC)c(Cl)c1 ZINC001274383425 1205015492 /nfs/dbraw/zinc/01/54/92/1205015492.db2.gz SZNXMLPYMNLUDG-GOSISDBHSA-N 1 2 347.846 2.334 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cnc(OC)c(Cl)c1 ZINC001274383425 1205015494 /nfs/dbraw/zinc/01/54/94/1205015494.db2.gz SZNXMLPYMNLUDG-GOSISDBHSA-N 1 2 347.846 2.334 20 30 EEEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1nc(Cl)ccc1F)CC2 ZINC001274496695 1205057221 /nfs/dbraw/zinc/05/72/21/1205057221.db2.gz GGRFJAWHTGBSKA-LBPRGKRZSA-N 1 2 335.810 2.226 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(OCC)ncc1F ZINC001274566191 1205081796 /nfs/dbraw/zinc/08/17/96/1205081796.db2.gz YDULEZLOONJCPV-LJQANCHMSA-N 1 2 345.418 2.210 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(OCC)ncc1F ZINC001274566191 1205081799 /nfs/dbraw/zinc/08/17/99/1205081799.db2.gz YDULEZLOONJCPV-LJQANCHMSA-N 1 2 345.418 2.210 20 30 EEEDLO C=CCN1CC[C@]2(CCCN2c2nc(NC(C)C)c(C)c[nH+]2)C1=O ZINC001274725852 1205144402 /nfs/dbraw/zinc/14/44/02/1205144402.db2.gz FVPOTDGIOZMXSS-GOSISDBHSA-N 1 2 329.448 2.363 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@]23CCN(CCn2cc[nH+]c2)C3=O)cc1 ZINC001274821591 1205176045 /nfs/dbraw/zinc/17/60/45/1205176045.db2.gz JBTXQQLUIIDBED-IBGZPJMESA-N 1 2 335.411 2.026 20 30 EEEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1[nH]ccc1C#N ZINC001274854403 1205188005 /nfs/dbraw/zinc/18/80/05/1205188005.db2.gz IPFYFNWUCXVOOU-GOSISDBHSA-N 1 2 325.416 2.147 20 30 EEEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1[nH]ccc1C#N ZINC001274854403 1205188006 /nfs/dbraw/zinc/18/80/06/1205188006.db2.gz IPFYFNWUCXVOOU-GOSISDBHSA-N 1 2 325.416 2.147 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NC1CCN(c2cc[nH+]c(C)n2)CC1)OCC ZINC001095432393 1205739914 /nfs/dbraw/zinc/73/99/14/1205739914.db2.gz GGEVLNCFNKWCNG-MRXNPFEDSA-N 1 2 332.448 2.241 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C)CC1 ZINC001015203961 1224904580 /nfs/dbraw/zinc/90/45/80/1224904580.db2.gz UOBZSUJXFVQENL-ZBFHGGJFSA-N 1 2 344.459 2.194 20 30 EEEDLO Cc1[nH+]c[nH]c1CNC(=O)CCCC(=O)Nc1ccccc1C#N ZINC001412620750 1205797742 /nfs/dbraw/zinc/79/77/42/1205797742.db2.gz SQRZTWUIOHYJEH-UHFFFAOYSA-N 1 2 325.372 2.015 20 30 EEEDLO CC(C)NC(=O)N1C[C@@H]2CC[N@H+](Cc3c(F)cc(C#N)cc3F)[C@@H]2C1 ZINC001276287867 1205868661 /nfs/dbraw/zinc/86/86/61/1205868661.db2.gz SVJRALKNEFAORF-SUMWQHHRSA-N 1 2 348.397 2.461 20 30 EEEDLO CC(C)NC(=O)N1C[C@@H]2CC[N@@H+](Cc3c(F)cc(C#N)cc3F)[C@@H]2C1 ZINC001276287867 1205868663 /nfs/dbraw/zinc/86/86/63/1205868663.db2.gz SVJRALKNEFAORF-SUMWQHHRSA-N 1 2 348.397 2.461 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)(C)C ZINC001110892207 1205963786 /nfs/dbraw/zinc/96/37/86/1205963786.db2.gz QRBPROIBNFIILF-OAGGEKHMSA-N 1 2 349.519 2.473 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)(C)C ZINC001110892207 1205963783 /nfs/dbraw/zinc/96/37/83/1205963783.db2.gz QRBPROIBNFIILF-OAGGEKHMSA-N 1 2 349.519 2.473 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ncoc2C)C[C@H]1C ZINC000947109404 1207865379 /nfs/dbraw/zinc/86/53/79/1207865379.db2.gz VAFPWEOQNPIZRE-PWSUYJOCSA-N 1 2 342.237 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ncoc2C)C[C@H]1C ZINC000947109404 1207865381 /nfs/dbraw/zinc/86/53/81/1207865381.db2.gz VAFPWEOQNPIZRE-PWSUYJOCSA-N 1 2 342.237 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C#CC2CC2)C1 ZINC001111739921 1208369976 /nfs/dbraw/zinc/36/99/76/1208369976.db2.gz SWFZOGXYXHHZTF-HOCLYGCPSA-N 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ZINC000948929906 1209458744 /nfs/dbraw/zinc/45/87/44/1209458744.db2.gz UTIGXGKESUWCQA-FQEVSTJZSA-N 1 2 349.434 2.190 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCn2nccc21 ZINC000948932591 1209459807 /nfs/dbraw/zinc/45/98/07/1209459807.db2.gz LHCYOQODVGLKSL-QUCCMNQESA-N 1 2 348.450 2.109 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCn2nccc21 ZINC000948932591 1209459809 /nfs/dbraw/zinc/45/98/09/1209459809.db2.gz LHCYOQODVGLKSL-QUCCMNQESA-N 1 2 348.450 2.109 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccnc(OC)c1 ZINC000948932939 1209460339 /nfs/dbraw/zinc/46/03/39/1209460339.db2.gz QKDVAYRRWVOJGI-GOSISDBHSA-N 1 2 335.407 2.053 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccnc(OC)c1 ZINC000948932939 1209460340 /nfs/dbraw/zinc/46/03/40/1209460340.db2.gz QKDVAYRRWVOJGI-GOSISDBHSA-N 1 2 335.407 2.053 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000948936471 1209462382 /nfs/dbraw/zinc/46/23/82/1209462382.db2.gz REDTWPLSYCLJCP-FPOVZHCZSA-N 1 2 346.430 2.339 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000948936471 1209462384 /nfs/dbraw/zinc/46/23/84/1209462384.db2.gz REDTWPLSYCLJCP-FPOVZHCZSA-N 1 2 346.430 2.339 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1Cc2cccnc2C1 ZINC000948981523 1209487023 /nfs/dbraw/zinc/48/70/23/1209487023.db2.gz CTURNTILKUZYFI-GHTZIAJQSA-N 1 2 345.446 2.145 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1Cc2cccnc2C1 ZINC000948981523 1209487026 /nfs/dbraw/zinc/48/70/26/1209487026.db2.gz CTURNTILKUZYFI-GHTZIAJQSA-N 1 2 345.446 2.145 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cn(CC)cn1 ZINC000948981308 1209487133 /nfs/dbraw/zinc/48/71/33/1209487133.db2.gz AFIAFGKQBQOIKI-LJQANCHMSA-N 1 2 336.439 2.256 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cn(CC)cn1 ZINC000948981308 1209487138 /nfs/dbraw/zinc/48/71/38/1209487138.db2.gz AFIAFGKQBQOIKI-LJQANCHMSA-N 1 2 336.439 2.256 20 30 EEEDLO 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C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(OC)ccn3)C2)cc1 ZINC001008148135 1222652489 /nfs/dbraw/zinc/65/24/89/1222652489.db2.gz LEFFBNBDGOXCHI-SFHVURJKSA-N 1 2 349.434 2.466 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(OC)ccn3)C2)cc1 ZINC001008148135 1222652493 /nfs/dbraw/zinc/65/24/93/1222652493.db2.gz LEFFBNBDGOXCHI-SFHVURJKSA-N 1 2 349.434 2.466 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001008574033 1222937018 /nfs/dbraw/zinc/93/70/18/1222937018.db2.gz INRSSVPPUMOJCD-IOASZLSFSA-N 1 2 333.457 2.125 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001008574033 1222937020 /nfs/dbraw/zinc/93/70/20/1222937020.db2.gz INRSSVPPUMOJCD-IOASZLSFSA-N 1 2 333.457 2.125 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001008576470 1222938851 /nfs/dbraw/zinc/93/88/51/1222938851.db2.gz PDPGQVCBOGWRNG-QRQLOZEOSA-N 1 2 326.440 2.044 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001008576470 1222938854 /nfs/dbraw/zinc/93/88/54/1222938854.db2.gz PDPGQVCBOGWRNG-QRQLOZEOSA-N 1 2 326.440 2.044 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2nc(C)oc2C)C1 ZINC001008845623 1223055015 /nfs/dbraw/zinc/05/50/15/1223055015.db2.gz LAJJBAOXHHGNMC-RYRKJORJSA-N 1 2 347.459 2.353 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001008845623 1223055019 /nfs/dbraw/zinc/05/50/19/1223055019.db2.gz LAJJBAOXHHGNMC-RYRKJORJSA-N 1 2 347.459 2.353 20 30 EEEDLO C[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CCOC1 ZINC001009002621 1223109100 /nfs/dbraw/zinc/10/91/00/1223109100.db2.gz IXMOGXPFYDKNAT-LPHOPBHVSA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CCOC1 ZINC001009002621 1223109101 /nfs/dbraw/zinc/10/91/01/1223109101.db2.gz IXMOGXPFYDKNAT-LPHOPBHVSA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CCOC1 ZINC001009003131 1223109602 /nfs/dbraw/zinc/10/96/02/1223109602.db2.gz LBLFYYLQXFTSBM-PKOBYXMFSA-N 1 2 327.428 2.065 20 30 EEEDLO C[C@@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CCOC1 ZINC001009003131 1223109604 /nfs/dbraw/zinc/10/96/04/1223109604.db2.gz LBLFYYLQXFTSBM-PKOBYXMFSA-N 1 2 327.428 2.065 20 30 EEEDLO CCc1ncncc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001009558092 1223285373 /nfs/dbraw/zinc/28/53/73/1223285373.db2.gz HOQCICRUADTBEU-QGZVFWFLSA-N 1 2 349.438 2.305 20 30 EEEDLO CCc1ncncc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001009558092 1223285375 /nfs/dbraw/zinc/28/53/75/1223285375.db2.gz HOQCICRUADTBEU-QGZVFWFLSA-N 1 2 349.438 2.305 20 30 EEEDLO Cn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010245577 1223625269 /nfs/dbraw/zinc/62/52/69/1223625269.db2.gz WMTUIGVWGVLPSA-HNNXBMFYSA-N 1 2 326.375 2.040 20 30 EEEDLO Cn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010245577 1223625272 /nfs/dbraw/zinc/62/52/72/1223625272.db2.gz WMTUIGVWGVLPSA-HNNXBMFYSA-N 1 2 326.375 2.040 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)[nH]1 ZINC001010650729 1223832886 /nfs/dbraw/zinc/83/28/86/1223832886.db2.gz MOHYDULGFHIJLL-CYBMUJFWSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)[nH]1 ZINC001010650729 1223832888 /nfs/dbraw/zinc/83/28/88/1223832888.db2.gz MOHYDULGFHIJLL-CYBMUJFWSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nc4ccccc4o3)C2)[nH]1 ZINC001010653925 1223834393 /nfs/dbraw/zinc/83/43/93/1223834393.db2.gz ZLJVYAQONUKPJE-CYBMUJFWSA-N 1 2 335.367 2.032 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nc4ccccc4o3)C2)[nH]1 ZINC001010653925 1223834396 /nfs/dbraw/zinc/83/43/96/1223834396.db2.gz ZLJVYAQONUKPJE-CYBMUJFWSA-N 1 2 335.367 2.032 20 30 EEEDLO CCc1onc(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016227554 1226228926 /nfs/dbraw/zinc/22/89/26/1226228926.db2.gz BHCLJKBNBWWBKX-MRXNPFEDSA-N 1 2 338.411 2.421 20 30 EEEDLO CCc1onc(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016227554 1226228932 /nfs/dbraw/zinc/22/89/32/1226228932.db2.gz BHCLJKBNBWWBKX-MRXNPFEDSA-N 1 2 338.411 2.421 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001014473527 1226659452 /nfs/dbraw/zinc/65/94/52/1226659452.db2.gz ZYVHCDBOZQBADO-LESCRADOSA-N 1 2 345.443 2.224 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001014473527 1226659456 /nfs/dbraw/zinc/65/94/56/1226659456.db2.gz ZYVHCDBOZQBADO-LESCRADOSA-N 1 2 345.443 2.224 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccn(C(F)F)n2)C1 ZINC001014572323 1226791853 /nfs/dbraw/zinc/79/18/53/1226791853.db2.gz OYSMOLBHWIXEFM-AWEZNQCLSA-N 1 2 345.353 2.154 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccn(C(F)F)n2)C1 ZINC001014572323 1226791855 /nfs/dbraw/zinc/79/18/55/1226791855.db2.gz OYSMOLBHWIXEFM-AWEZNQCLSA-N 1 2 345.353 2.154 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC(C)C)c1CC ZINC001017553576 1227515891 /nfs/dbraw/zinc/51/58/91/1227515891.db2.gz NGLRVCJCEMHAJF-IYBDPMFKSA-N 1 2 328.460 2.024 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC(C)C)c1CC ZINC001017553576 1227515895 /nfs/dbraw/zinc/51/58/95/1227515895.db2.gz NGLRVCJCEMHAJF-IYBDPMFKSA-N 1 2 328.460 2.024 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc([C@@H]2CCCO2)n1 ZINC001017555152 1227517056 /nfs/dbraw/zinc/51/70/56/1227517056.db2.gz JOFLSLBSDWJQCC-LZWOXQAQSA-N 1 2 345.468 2.307 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc([C@@H]2CCCO2)n1 ZINC001017555152 1227517059 /nfs/dbraw/zinc/51/70/59/1227517059.db2.gz JOFLSLBSDWJQCC-LZWOXQAQSA-N 1 2 345.468 2.307 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C(C)(C)C)c1C ZINC001017599956 1227561978 /nfs/dbraw/zinc/56/19/78/1227561978.db2.gz CJPGGGJBWSHROI-IYBDPMFKSA-N 1 2 328.460 2.259 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C(C)(C)C)c1C ZINC001017599956 1227561981 /nfs/dbraw/zinc/56/19/81/1227561981.db2.gz CJPGGGJBWSHROI-IYBDPMFKSA-N 1 2 328.460 2.259 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nc1C1CCCC1 ZINC001017925911 1227873911 /nfs/dbraw/zinc/87/39/11/1227873911.db2.gz WFDSEOIUAPPBGR-CALCHBBNSA-N 1 2 340.471 2.390 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nc1C1CCCC1 ZINC001017925911 1227873916 /nfs/dbraw/zinc/87/39/16/1227873916.db2.gz WFDSEOIUAPPBGR-CALCHBBNSA-N 1 2 340.471 2.390 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001054682970 1248857178 /nfs/dbraw/zinc/85/71/78/1248857178.db2.gz YTOGWRYRXOFVGJ-BXKDBHETSA-N 1 2 326.828 2.093 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC001019081906 1228709079 /nfs/dbraw/zinc/70/90/79/1228709079.db2.gz BCDYUSTWKFZSFX-LBPRGKRZSA-N 1 2 331.803 2.085 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C(C)C)o3)C2)cc1 ZINC001019223255 1228891818 /nfs/dbraw/zinc/89/18/18/1228891818.db2.gz MRXZIXSZLOFNLN-INIZCTEOSA-N 1 2 338.411 2.179 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@H]([NH2+]Cc3ncc(C(C)C)o3)C2)c1 ZINC001019358119 1229025454 /nfs/dbraw/zinc/02/54/54/1229025454.db2.gz ZDOAOZVFGZEZEU-INIZCTEOSA-N 1 2 338.411 2.179 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001019391306 1229062546 /nfs/dbraw/zinc/06/25/46/1229062546.db2.gz RJYJRQVLTGMODM-GOSISDBHSA-N 1 2 344.459 2.006 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1c(C)onc1CC ZINC001038260818 1229709500 /nfs/dbraw/zinc/70/95/00/1229709500.db2.gz USAJOWYSXKHERE-DAYGRLMNSA-N 1 2 347.459 2.217 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1c(C)onc1CC ZINC001038260818 1229709503 /nfs/dbraw/zinc/70/95/03/1229709503.db2.gz USAJOWYSXKHERE-DAYGRLMNSA-N 1 2 347.459 2.217 20 30 EEEDLO CN(C)c1ncccc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001039016682 1230238171 /nfs/dbraw/zinc/23/81/71/1230238171.db2.gz CPZPEQVFSXWLHW-KRWDZBQOSA-N 1 2 349.438 2.024 20 30 EEEDLO CN(C)c1ncccc1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001039016682 1230238174 /nfs/dbraw/zinc/23/81/74/1230238174.db2.gz CPZPEQVFSXWLHW-KRWDZBQOSA-N 1 2 349.438 2.024 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccn2)cn1 ZINC001039978744 1230946535 /nfs/dbraw/zinc/94/65/35/1230946535.db2.gz BDKALBQZCQSFAX-BGYRXZFFSA-N 1 2 346.434 2.337 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccn2)cn1 ZINC001039978744 1230946537 /nfs/dbraw/zinc/94/65/37/1230946537.db2.gz BDKALBQZCQSFAX-BGYRXZFFSA-N 1 2 346.434 2.337 20 30 EEEDLO C[C@@H](CC(=O)N1CC[C@H](Nc2ccc(C#N)nc2)[C@@H]1C)n1cc[nH+]c1 ZINC001040260499 1231138370 /nfs/dbraw/zinc/13/83/70/1231138370.db2.gz LQAPRMCUCRVIAH-ZQIUZPCESA-N 1 2 338.415 2.202 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC2(C1)CC[NH+]([C@H](C)c1csnn1)CC2 ZINC001040644144 1231325560 /nfs/dbraw/zinc/32/55/60/1231325560.db2.gz NDBQYPOTTWPEMG-CHWSQXEVSA-N 1 2 333.461 2.073 20 30 EEEDLO CC(C)c1nsc(C[N@@H+]2CC[C@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC001041136408 1231449642 /nfs/dbraw/zinc/44/96/42/1231449642.db2.gz KPWXEWFMUWSVGC-DYVFJYSZSA-N 1 2 347.488 2.246 20 30 EEEDLO CC(C)c1nsc(C[N@H+]2CC[C@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC001041136408 1231449644 /nfs/dbraw/zinc/44/96/44/1231449644.db2.gz KPWXEWFMUWSVGC-DYVFJYSZSA-N 1 2 347.488 2.246 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nccn4C)[C@@H]3C2)cc1 ZINC001042180008 1231939852 /nfs/dbraw/zinc/93/98/52/1231939852.db2.gz RMZSJGNHTRPZSM-IEBWSBKVSA-N 1 2 348.450 2.138 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](Cc4nccn4C)[C@@H]3C2)cc1 ZINC001042180008 1231939853 /nfs/dbraw/zinc/93/98/53/1231939853.db2.gz RMZSJGNHTRPZSM-IEBWSBKVSA-N 1 2 348.450 2.138 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](CCc3ccc(OC)cc3)C2)c1 ZINC001043822856 1232591539 /nfs/dbraw/zinc/59/15/39/1232591539.db2.gz BJLZCGLBMKZFBZ-UHFFFAOYSA-N 1 2 349.434 2.070 20 30 EEEDLO CN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1CN(CC#Cc2ccccc2)C1 ZINC001043839787 1232598690 /nfs/dbraw/zinc/59/86/90/1232598690.db2.gz RXFJTNMEHRGJAQ-GOSISDBHSA-N 1 2 348.450 2.024 20 30 EEEDLO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001067570047 1249245377 /nfs/dbraw/zinc/24/53/77/1249245377.db2.gz LZXYKEWLBHXDLS-HUUCEWRRSA-N 1 2 332.448 2.176 20 30 EEEDLO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001067570047 1249245379 /nfs/dbraw/zinc/24/53/79/1249245379.db2.gz LZXYKEWLBHXDLS-HUUCEWRRSA-N 1 2 332.448 2.176 20 30 EEEDLO C#Cc1ccc(C(=O)NC2(C)CC[NH+](Cc3nc(C)no3)CC2)cc1 ZINC001045520832 1233791150 /nfs/dbraw/zinc/79/11/50/1233791150.db2.gz XWNFMHMYNJRNRY-UHFFFAOYSA-N 1 2 338.411 2.144 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(CC)o1 ZINC001045826218 1234040259 /nfs/dbraw/zinc/04/02/59/1234040259.db2.gz MAGXPIFUZGUPOZ-KGLIPLIRSA-N 1 2 332.448 2.410 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(CC)o1 ZINC001045826218 1234040262 /nfs/dbraw/zinc/04/02/62/1234040262.db2.gz MAGXPIFUZGUPOZ-KGLIPLIRSA-N 1 2 332.448 2.410 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(C)n1CC ZINC001045827074 1234041265 /nfs/dbraw/zinc/04/12/65/1234041265.db2.gz ICSSFEIVLFXQDY-CVEARBPZSA-N 1 2 345.491 2.384 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(C)n1CC ZINC001045827074 1234041269 /nfs/dbraw/zinc/04/12/69/1234041269.db2.gz ICSSFEIVLFXQDY-CVEARBPZSA-N 1 2 345.491 2.384 20 30 EEEDLO Cc1cccc(Cl)c1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046056449 1234386043 /nfs/dbraw/zinc/38/60/43/1234386043.db2.gz DQRFZPLWYWIGPO-HNNXBMFYSA-N 1 2 346.862 2.004 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCCO2)C1 ZINC001046235532 1234582255 /nfs/dbraw/zinc/58/22/55/1234582255.db2.gz HRPWQYSCJPMOFY-GXTWGEPZSA-N 1 2 331.254 2.045 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCCO2)C1 ZINC001046235532 1234582257 /nfs/dbraw/zinc/58/22/57/1234582257.db2.gz HRPWQYSCJPMOFY-GXTWGEPZSA-N 1 2 331.254 2.045 20 30 EEEDLO Cc1nc(C(=O)N[C@@]2(C)CC[N@H+](Cc3cc(C#N)ccc3F)C2)co1 ZINC001046256687 1234600672 /nfs/dbraw/zinc/60/06/72/1234600672.db2.gz YMBBJJAHXFKFDW-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cc(C#N)ccc3F)C2)co1 ZINC001046256687 1234600676 /nfs/dbraw/zinc/60/06/76/1234600676.db2.gz YMBBJJAHXFKFDW-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC001046369402 1234717651 /nfs/dbraw/zinc/71/76/51/1234717651.db2.gz UPRMFTUJSXPISU-LBPRGKRZSA-N 1 2 336.745 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC001046369402 1234717655 /nfs/dbraw/zinc/71/76/55/1234717655.db2.gz UPRMFTUJSXPISU-LBPRGKRZSA-N 1 2 336.745 2.375 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001046374709 1234724493 /nfs/dbraw/zinc/72/44/93/1234724493.db2.gz JKRDQAQPIUGLMJ-QGZVFWFLSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001046374709 1234724496 /nfs/dbraw/zinc/72/44/96/1234724496.db2.gz JKRDQAQPIUGLMJ-QGZVFWFLSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C(F)F)ncn2)C1 ZINC001046420628 1234783523 /nfs/dbraw/zinc/78/35/23/1234783523.db2.gz HLZQSOZINFRWMJ-AWEZNQCLSA-N 1 2 330.766 2.361 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(C(F)F)ncn2)C1 ZINC001046420628 1234783528 /nfs/dbraw/zinc/78/35/28/1234783528.db2.gz HLZQSOZINFRWMJ-AWEZNQCLSA-N 1 2 330.766 2.361 20 30 EEEDLO C=CCCCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001067705357 1249407441 /nfs/dbraw/zinc/40/74/41/1249407441.db2.gz XRUMMCIPNAEQHI-INIZCTEOSA-N 1 2 346.475 2.109 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046739458 1235132961 /nfs/dbraw/zinc/13/29/61/1235132961.db2.gz OESAZHSHZRDTPE-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046739458 1235132962 /nfs/dbraw/zinc/13/29/62/1235132962.db2.gz OESAZHSHZRDTPE-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nnc(OCC)s2)C1 ZINC001054964912 1249485967 /nfs/dbraw/zinc/48/59/67/1249485967.db2.gz AEGFRRIYUAJZIS-NWDGAFQWSA-N 1 2 338.477 2.086 20 30 EEEDLO C[C@H](C#N)OCC[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000801912825 1236409380 /nfs/dbraw/zinc/40/93/80/1236409380.db2.gz FQCSEWQBOGKEDH-LLVKDONJSA-N 1 2 329.231 2.439 20 30 EEEDLO CCn1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)c1 ZINC001096360773 1237634489 /nfs/dbraw/zinc/63/44/89/1237634489.db2.gz ZEPXYSZGENJPLI-HBFSDRIKSA-N 1 2 348.450 2.290 20 30 EEEDLO CCn1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)c1 ZINC001096360773 1237634494 /nfs/dbraw/zinc/63/44/94/1237634494.db2.gz ZEPXYSZGENJPLI-HBFSDRIKSA-N 1 2 348.450 2.290 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001067806661 1249663436 /nfs/dbraw/zinc/66/34/36/1249663436.db2.gz OAIUWSRNTGPQPA-BQFCYCMXSA-N 1 2 344.459 2.193 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001056433976 1239375046 /nfs/dbraw/zinc/37/50/46/1239375046.db2.gz WXGRTJCZXLLRCB-IAGOWNOFSA-N 1 2 344.459 2.209 20 30 EEEDLO N#Cc1ccc(F)c(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC001413587480 1249808915 /nfs/dbraw/zinc/80/89/15/1249808915.db2.gz WAIKLMKGVNMDLG-CYBMUJFWSA-N 1 2 325.347 2.493 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cn(C)nc2C(F)F)CC1 ZINC001000785639 1240935733 /nfs/dbraw/zinc/93/57/33/1240935733.db2.gz QUGOQQYCXJXUNV-UHFFFAOYSA-N 1 2 344.793 2.472 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cn(C)nc2C(F)F)CC1 ZINC001000785639 1240935740 /nfs/dbraw/zinc/93/57/40/1240935740.db2.gz QUGOQQYCXJXUNV-UHFFFAOYSA-N 1 2 344.793 2.472 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc2n[nH]nc21 ZINC001049496454 1241127159 /nfs/dbraw/zinc/12/71/59/1241127159.db2.gz BSCFASVUMPSQLN-GJZGRUSLSA-N 1 2 345.834 2.389 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc2n[nH]nc21 ZINC001049496454 1241127166 /nfs/dbraw/zinc/12/71/66/1241127166.db2.gz BSCFASVUMPSQLN-GJZGRUSLSA-N 1 2 345.834 2.389 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc2nn[nH]c21 ZINC001049496454 1241127169 /nfs/dbraw/zinc/12/71/69/1241127169.db2.gz BSCFASVUMPSQLN-GJZGRUSLSA-N 1 2 345.834 2.389 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc2nn[nH]c21 ZINC001049496454 1241127173 /nfs/dbraw/zinc/12/71/73/1241127173.db2.gz BSCFASVUMPSQLN-GJZGRUSLSA-N 1 2 345.834 2.389 20 30 EEEDLO N#Cc1ccc(NCC2CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cn1 ZINC001067899551 1249917355 /nfs/dbraw/zinc/91/73/55/1249917355.db2.gz ZQGZHRNBBCHZOA-UHFFFAOYSA-N 1 2 346.394 2.450 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001001164047 1241750901 /nfs/dbraw/zinc/75/09/01/1241750901.db2.gz RXHWYVUPPAXTSV-RISCZKNCSA-N 1 2 343.265 2.068 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001001164047 1241750910 /nfs/dbraw/zinc/75/09/10/1241750910.db2.gz RXHWYVUPPAXTSV-RISCZKNCSA-N 1 2 343.265 2.068 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2ncccn2)C1 ZINC001049713301 1241961613 /nfs/dbraw/zinc/96/16/13/1241961613.db2.gz XODZUHZGBRJYKK-HOTGVXAUSA-N 1 2 326.444 2.398 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2ncccn2)C1 ZINC001049713301 1241961619 /nfs/dbraw/zinc/96/16/19/1241961619.db2.gz XODZUHZGBRJYKK-HOTGVXAUSA-N 1 2 326.444 2.398 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC001049789264 1242188843 /nfs/dbraw/zinc/18/88/43/1242188843.db2.gz XVZWBHKCOXRTLH-CHWSQXEVSA-N 1 2 340.349 2.131 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC001049789264 1242188844 /nfs/dbraw/zinc/18/88/44/1242188844.db2.gz XVZWBHKCOXRTLH-CHWSQXEVSA-N 1 2 340.349 2.131 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001067918099 1249970869 /nfs/dbraw/zinc/97/08/69/1249970869.db2.gz XPKMUAAFJWRPSY-INIZCTEOSA-N 1 2 348.491 2.262 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001073966798 1242827024 /nfs/dbraw/zinc/82/70/24/1242827024.db2.gz YJULUUVKQWPQIS-LSDHHAIUSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H](Nc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001096781442 1243252483 /nfs/dbraw/zinc/25/24/83/1243252483.db2.gz RFMOLJWJZNBYEL-AWEZNQCLSA-N 1 2 346.479 2.155 20 30 EEEDLO N#Cc1cccnc1N[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001096851718 1243371657 /nfs/dbraw/zinc/37/16/57/1243371657.db2.gz MUUQKRJECYWDOE-QGZVFWFLSA-N 1 2 346.394 2.450 20 30 EEEDLO Cc1nn(C)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001096880658 1243413283 /nfs/dbraw/zinc/41/32/83/1243413283.db2.gz NVLPDCTYZOJUSW-RLLQIKCJSA-N 1 2 348.450 2.115 20 30 EEEDLO Cc1nn(C)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001096880658 1243413287 /nfs/dbraw/zinc/41/32/87/1243413287.db2.gz NVLPDCTYZOJUSW-RLLQIKCJSA-N 1 2 348.450 2.115 20 30 EEEDLO CC(C)c1nnc(C[NH+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)CC2)s1 ZINC001050464519 1243657899 /nfs/dbraw/zinc/65/78/99/1243657899.db2.gz UJFKXLLVTOSJED-ZDUSSCGKSA-N 1 2 347.488 2.246 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001097109696 1243711123 /nfs/dbraw/zinc/71/11/23/1243711123.db2.gz DWMUGUAJAXNCFI-JOCQHMNTSA-N 1 2 327.363 2.112 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001097109696 1243711131 /nfs/dbraw/zinc/71/11/31/1243711131.db2.gz DWMUGUAJAXNCFI-JOCQHMNTSA-N 1 2 327.363 2.112 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@@H]1CNc1[nH+]cnc2c1cnn2C ZINC001097474061 1244229739 /nfs/dbraw/zinc/22/97/39/1244229739.db2.gz DYSQNJSGVUWPIZ-CYBMUJFWSA-N 1 2 328.420 2.123 20 30 EEEDLO Cc1nc(N[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001057593689 1244375260 /nfs/dbraw/zinc/37/52/60/1244375260.db2.gz KFKKOGNSPMNOTM-GXTWGEPZSA-N 1 2 327.432 2.226 20 30 EEEDLO C=CCOCC(=O)N1CC[C@@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001098512555 1244397491 /nfs/dbraw/zinc/39/74/91/1244397491.db2.gz FHOMBKRHXZKJPX-HNNXBMFYSA-N 1 2 332.448 2.371 20 30 EEEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(C)nn(C)c3s1)C2 ZINC001097608186 1244442725 /nfs/dbraw/zinc/44/27/25/1244442725.db2.gz CDKHBOOLFKVFPS-YUELXQCFSA-N 1 2 342.468 2.302 20 30 EEEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c(C)nn(C)c3s1)C2 ZINC001097608186 1244442731 /nfs/dbraw/zinc/44/27/31/1244442731.db2.gz CDKHBOOLFKVFPS-YUELXQCFSA-N 1 2 342.468 2.302 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1oc(CC2CC2)nc1C ZINC001050919335 1244624675 /nfs/dbraw/zinc/62/46/75/1244624675.db2.gz HOZGAFNDLZVHMO-INIZCTEOSA-N 1 2 347.459 2.332 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1oc(CC2CC2)nc1C ZINC001050919335 1244624689 /nfs/dbraw/zinc/62/46/89/1244624689.db2.gz HOZGAFNDLZVHMO-INIZCTEOSA-N 1 2 347.459 2.332 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CN(c3cc[nH+]c(C)n3)CC[C@H]2C)cc1 ZINC001067984303 1250133554 /nfs/dbraw/zinc/13/35/54/1250133554.db2.gz ASDGKJVKXAUODD-KDOFPFPSSA-N 1 2 334.423 2.411 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001057676367 1244657465 /nfs/dbraw/zinc/65/74/65/1244657465.db2.gz MVRWWZJFFKUKSV-CYBMUJFWSA-N 1 2 341.390 2.375 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3ncnn3C)CC2)CC1 ZINC001052681435 1244740277 /nfs/dbraw/zinc/74/02/77/1244740277.db2.gz BYEOGIDNMWNPQR-MRXNPFEDSA-N 1 2 331.464 2.032 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3ncnn3C)CC2)CC1 ZINC001052681435 1244740288 /nfs/dbraw/zinc/74/02/88/1244740288.db2.gz BYEOGIDNMWNPQR-MRXNPFEDSA-N 1 2 331.464 2.032 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ncoc1C(F)(F)F ZINC001050989817 1244795280 /nfs/dbraw/zinc/79/52/80/1244795280.db2.gz WLVHUMMYJDPRJS-NSHDSACASA-N 1 2 347.337 2.090 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ncoc1C(F)(F)F ZINC001050989817 1244795288 /nfs/dbraw/zinc/79/52/88/1244795288.db2.gz WLVHUMMYJDPRJS-NSHDSACASA-N 1 2 347.337 2.090 20 30 EEEDLO C=CCCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001051249431 1245437778 /nfs/dbraw/zinc/43/77/78/1245437778.db2.gz HXIPNBYACDWOEQ-LSDHHAIUSA-N 1 2 346.475 2.397 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1Cc2c1cccc2Cl ZINC001051264902 1245454711 /nfs/dbraw/zinc/45/47/11/1245454711.db2.gz YXQOQIDJGIKPFW-BBRMVZONSA-N 1 2 334.847 2.373 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1Cc2c1cccc2Cl ZINC001051264902 1245454715 /nfs/dbraw/zinc/45/47/15/1245454715.db2.gz YXQOQIDJGIKPFW-BBRMVZONSA-N 1 2 334.847 2.373 20 30 EEEDLO C=C(Cl)C[N@H+]1CCc2c(CNC(=O)c3ccn(C)n3)cccc2C1 ZINC001051306598 1245511228 /nfs/dbraw/zinc/51/12/28/1245511228.db2.gz HSKAWHPEXNDXQP-UHFFFAOYSA-N 1 2 344.846 2.461 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)c3ccn(C)n3)cccc2C1 ZINC001051306598 1245511233 /nfs/dbraw/zinc/51/12/33/1245511233.db2.gz HSKAWHPEXNDXQP-UHFFFAOYSA-N 1 2 344.846 2.461 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCCN(CCC)c1[nH+]cnc2c1cnn2C ZINC001101222196 1245535938 /nfs/dbraw/zinc/53/59/38/1245535938.db2.gz BEMPQVOVVXLSNG-CQSZACIVSA-N 1 2 344.463 2.298 20 30 EEEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)c3nnc(C)[nH]3)C[C@@]2(C)C1 ZINC001101347639 1245694653 /nfs/dbraw/zinc/69/46/53/1245694653.db2.gz AJWRVJQPHZUORK-JOQOYGCGSA-N 1 2 331.464 2.311 20 30 EEEDLO C=CCCCC(=O)N1C[C@H]2C[N@H+]([C@@H](C)c3nnc(C)[nH]3)C[C@@]2(C)C1 ZINC001101347639 1245694658 /nfs/dbraw/zinc/69/46/58/1245694658.db2.gz AJWRVJQPHZUORK-JOQOYGCGSA-N 1 2 331.464 2.311 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]([C@H](C)NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001051516617 1245813952 /nfs/dbraw/zinc/81/39/52/1245813952.db2.gz SZQVGICRBKHQQY-HOCLYGCPSA-N 1 2 344.459 2.052 20 30 EEEDLO N#Cc1ccc(N(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C2CC2)cn1 ZINC001101466458 1245868364 /nfs/dbraw/zinc/86/83/64/1245868364.db2.gz CEYRFSHMOILEQL-UHFFFAOYSA-N 1 2 346.394 2.228 20 30 EEEDLO C=CCC1(C(=O)N(C)CCNc2[nH+]cnc3c2cnn3C)CCCC1 ZINC001101674777 1246112222 /nfs/dbraw/zinc/11/22/22/1246112222.db2.gz AWCOSXXKPMBWQG-UHFFFAOYSA-N 1 2 342.447 2.370 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccsc1)CCO2 ZINC001053308274 1246167315 /nfs/dbraw/zinc/16/73/15/1246167315.db2.gz GSRHZUNFXYHWFT-JKSUJKDBSA-N 1 2 332.469 2.341 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCC4(CC4)C3)C2)CC1 ZINC001052029278 1246394136 /nfs/dbraw/zinc/39/41/36/1246394136.db2.gz YSYXDCSYQBYYPF-MOPGFXCFSA-N 1 2 343.515 2.199 20 30 EEEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC(C)=C(C)C3)C2)CC1 ZINC001052031034 1246397013 /nfs/dbraw/zinc/39/70/13/1246397013.db2.gz BTFYYSGZTDQFCO-PMACEKPBSA-N 1 2 343.515 2.365 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(CC(=C)Cl)CC2)C1 ZINC001052063399 1246434344 /nfs/dbraw/zinc/43/43/44/1246434344.db2.gz UVMBDKDNRSQAEH-HNNXBMFYSA-N 1 2 325.884 2.170 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)C(C)(F)F)C2)CC1 ZINC001052081441 1246458850 /nfs/dbraw/zinc/45/88/50/1246458850.db2.gz BLBLTXPVUOITDQ-CABCVRRESA-N 1 2 329.435 2.072 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C(C)(C)C(F)F)C2)CC1 ZINC001052082572 1246460790 /nfs/dbraw/zinc/46/07/90/1246460790.db2.gz UTPWXUUNSDWRPD-CQSZACIVSA-N 1 2 329.435 2.072 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C(C)(C)C3CCCCC3)C2)CC1 ZINC001052092851 1246471996 /nfs/dbraw/zinc/47/19/96/1246471996.db2.gz GJXSAKIFLLRLJM-IBGZPJMESA-N 1 2 345.531 2.445 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)CC1 ZINC001052095859 1246475760 /nfs/dbraw/zinc/47/57/60/1246475760.db2.gz APBIKOOEOHPLKK-CEXWTWQISA-N 1 2 331.504 2.217 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C)c(C)s3)C2)CC1 ZINC001052117667 1246502337 /nfs/dbraw/zinc/50/23/37/1246502337.db2.gz WPGYARCNDOZFNC-INIZCTEOSA-N 1 2 333.501 2.383 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccnn1CC(C)C)O2 ZINC001053605865 1246522163 /nfs/dbraw/zinc/52/21/63/1246522163.db2.gz NOZQLOJACCYUCK-MRXNPFEDSA-N 1 2 346.475 2.078 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nc(Cl)sc1C)O2 ZINC001053629918 1246560848 /nfs/dbraw/zinc/56/08/48/1246560848.db2.gz CVQAEFISTINDRV-LLVKDONJSA-N 1 2 341.864 2.254 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C)c(F)c1F)O2 ZINC001053664139 1246609242 /nfs/dbraw/zinc/60/92/42/1246609242.db2.gz LFHKRUJUICLUMK-ZDUSSCGKSA-N 1 2 336.382 2.422 20 30 EEEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(-c3ccoc3)s1)C2 ZINC001097991755 1250268667 /nfs/dbraw/zinc/26/86/67/1250268667.db2.gz FAVYKMLCGRUJJQ-MCIONIFRSA-N 1 2 327.409 2.371 20 30 EEEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(-c3ccoc3)s1)C2 ZINC001097991755 1250268674 /nfs/dbraw/zinc/26/86/74/1250268674.db2.gz FAVYKMLCGRUJJQ-MCIONIFRSA-N 1 2 327.409 2.371 20 30 EEEDLO Cc1cc(N2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@]3(C)C2)nc(C2CC2)[nH+]1 ZINC001052239041 1246720889 /nfs/dbraw/zinc/72/08/89/1246720889.db2.gz IKURSUQFCDTWMN-PEELUZDISA-N 1 2 339.443 2.107 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1C3CC4CC(C3)CC1C4)CO2 ZINC001053830211 1246862269 /nfs/dbraw/zinc/86/22/69/1246862269.db2.gz ULPQFEQLIPOXSK-YXOSVLIBSA-N 1 2 342.483 2.042 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nc(C(C)(C)C)cs1)CO2 ZINC001053834355 1246875006 /nfs/dbraw/zinc/87/50/06/1246875006.db2.gz JYELIFDGLBEQGO-CYBMUJFWSA-N 1 2 347.484 2.037 20 30 EEEDLO C[C@@H](c1csnn1)[N@@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052290325 1246906004 /nfs/dbraw/zinc/90/60/04/1246906004.db2.gz NUNBWYKQCRBNRA-AAEUAGOBSA-N 1 2 344.444 2.083 20 30 EEEDLO C[C@@H](c1csnn1)[N@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052290325 1246906015 /nfs/dbraw/zinc/90/60/15/1246906015.db2.gz NUNBWYKQCRBNRA-AAEUAGOBSA-N 1 2 344.444 2.083 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3ccccc3c1)CO2 ZINC001053940051 1247038453 /nfs/dbraw/zinc/03/84/53/1247038453.db2.gz VJRWDRNBJUKFNE-KRWDZBQOSA-N 1 2 337.423 2.384 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1)CO2 ZINC001053952752 1247061266 /nfs/dbraw/zinc/06/12/66/1247061266.db2.gz BEUJUVWWDIGYQD-CEXWTWQISA-N 1 2 338.451 2.081 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(C(C)C)c1)CO2 ZINC001053973436 1247087963 /nfs/dbraw/zinc/08/79/63/1247087963.db2.gz BONPRXZJSXSCOZ-SFHVURJKSA-N 1 2 326.440 2.406 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)csc1Cl)CO2 ZINC001053993748 1247122952 /nfs/dbraw/zinc/12/29/52/1247122952.db2.gz SJOCJPZFRGUDIP-LBPRGKRZSA-N 1 2 338.860 2.306 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001097919795 1247145411 /nfs/dbraw/zinc/14/54/11/1247145411.db2.gz OCFLZFVHQRKNRF-QWHCGFSZSA-N 1 2 332.448 2.172 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c[nH]c3ccc(C)cc31)CO2 ZINC001054019222 1247158751 /nfs/dbraw/zinc/15/87/51/1247158751.db2.gz QEQHMJACSUMSJC-OAHLLOKOSA-N 1 2 337.423 2.073 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)c1ccccc1C)CO2 ZINC001054023446 1247164330 /nfs/dbraw/zinc/16/43/30/1247164330.db2.gz ZDGAYSCBYDAPIO-QGZVFWFLSA-N 1 2 340.467 2.255 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001054037496 1247191131 /nfs/dbraw/zinc/19/11/31/1247191131.db2.gz HOVCCVLMNDYTEE-OALUTQOASA-N 1 2 326.440 2.122 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001054037496 1247191144 /nfs/dbraw/zinc/19/11/44/1247191144.db2.gz HOVCCVLMNDYTEE-OALUTQOASA-N 1 2 326.440 2.122 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccn2ccnc12 ZINC001054055219 1247249942 /nfs/dbraw/zinc/24/99/42/1247249942.db2.gz HANGWGDUDZHBLW-GOSISDBHSA-N 1 2 344.418 2.124 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccn2ccnc12 ZINC001054055219 1247249952 /nfs/dbraw/zinc/24/99/52/1247249952.db2.gz HANGWGDUDZHBLW-GOSISDBHSA-N 1 2 344.418 2.124 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccc2[nH]cnc21 ZINC001054057542 1247258907 /nfs/dbraw/zinc/25/89/07/1247258907.db2.gz OCMXZIXHDBAVPH-QGZVFWFLSA-N 1 2 344.418 2.353 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccc2[nH]cnc21 ZINC001054057542 1247258913 /nfs/dbraw/zinc/25/89/13/1247258913.db2.gz OCMXZIXHDBAVPH-QGZVFWFLSA-N 1 2 344.418 2.353 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cncnc1CC ZINC001054060472 1247270417 /nfs/dbraw/zinc/27/04/17/1247270417.db2.gz OFUWGNWCSTVCKU-GOSISDBHSA-N 1 2 348.450 2.219 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cncnc1CC ZINC001054060472 1247270425 /nfs/dbraw/zinc/27/04/25/1247270425.db2.gz OFUWGNWCSTVCKU-GOSISDBHSA-N 1 2 348.450 2.219 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC001052617831 1247703503 /nfs/dbraw/zinc/70/35/03/1247703503.db2.gz PQURZLXWFJCYIP-KRWDZBQOSA-N 1 2 337.427 2.079 20 30 EEEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC001052617831 1247703509 /nfs/dbraw/zinc/70/35/09/1247703509.db2.gz PQURZLXWFJCYIP-KRWDZBQOSA-N 1 2 337.427 2.079 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3onc4c3CCCC4)cc2C1 ZINC001054273968 1247974800 /nfs/dbraw/zinc/97/48/00/1247974800.db2.gz KKDDGCJQJDRFJN-UHFFFAOYSA-N 1 2 335.407 2.432 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3onc4c3CCCC4)cc2C1 ZINC001054273968 1247974813 /nfs/dbraw/zinc/97/48/13/1247974813.db2.gz KKDDGCJQJDRFJN-UHFFFAOYSA-N 1 2 335.407 2.432 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[C@H](OC)C3)cc2C1 ZINC001054279193 1247992848 /nfs/dbraw/zinc/99/28/48/1247992848.db2.gz XGAJJVNDUHXDCQ-LPHOPBHVSA-N 1 2 326.440 2.457 20 30 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1368499155 /nfs/dbraw/zinc/49/91/55/1368499155.db2.gz YNAMRDGBTFEGJE-HNNXBMFYSA-N 1 2 345.443 2.026 20 30 EEEDLO CCO[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2OC)CC1 ZINC001194957169 1368499161 /nfs/dbraw/zinc/49/91/61/1368499161.db2.gz YNAMRDGBTFEGJE-HNNXBMFYSA-N 1 2 345.443 2.026 20 30 EEEDLO C=C(Cl)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C2CCCCC2)n1 ZINC001489070774 1369123506 /nfs/dbraw/zinc/12/35/06/1369123506.db2.gz KCRGHGNMRUVWRT-UHFFFAOYSA-N 1 2 338.839 2.221 20 30 EEEDLO C=C(Cl)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C(C)(C)CCC)n1 ZINC001489078208 1369124201 /nfs/dbraw/zinc/12/42/01/1369124201.db2.gz FHVFWPUUQPTMLF-UHFFFAOYSA-N 1 2 340.855 2.467 20 30 EEEDLO CCc1nc(N2CCCCC[C@H]2CNC(=O)[C@H](C)C#N)cc(C)[nH+]1 ZINC001114359754 1369582893 /nfs/dbraw/zinc/58/28/93/1369582893.db2.gz WFNUPMDANZNADT-HIFRSBDPSA-N 1 2 329.448 2.372 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)nc1 ZINC001009255820 1370028744 /nfs/dbraw/zinc/02/87/44/1370028744.db2.gz WNEKKKUUUBFQRQ-IBGZPJMESA-N 1 2 344.418 2.329 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)nc1 ZINC001009255820 1370028750 /nfs/dbraw/zinc/02/87/50/1370028750.db2.gz WNEKKKUUUBFQRQ-IBGZPJMESA-N 1 2 344.418 2.329 20 30 EEEDLO CCC(CC)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1O ZINC001099695612 1371006688 /nfs/dbraw/zinc/00/66/88/1371006688.db2.gz KSIKJRVBYCKNKB-ZWKOTPCHSA-N 1 2 347.434 2.185 20 30 EEEDLO CCC(CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1O ZINC001099695612 1371006692 /nfs/dbraw/zinc/00/66/92/1371006692.db2.gz KSIKJRVBYCKNKB-ZWKOTPCHSA-N 1 2 347.434 2.185 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2occc2NC(=O)OC(C)(C)C)C1 ZINC001119684122 1371794290 /nfs/dbraw/zinc/79/42/90/1371794290.db2.gz ORXIVRHQCHMPGF-CYBMUJFWSA-N 1 2 347.415 2.454 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2occc2NC(=O)OC(C)(C)C)C1 ZINC001119684122 1371794295 /nfs/dbraw/zinc/79/42/95/1371794295.db2.gz ORXIVRHQCHMPGF-CYBMUJFWSA-N 1 2 347.415 2.454 20 30 EEEDLO CC(C)c1cc(N[C@@H](CO)CNC(=O)C#CC2CC2)nc(C(C)C)[nH+]1 ZINC001121439668 1371881941 /nfs/dbraw/zinc/88/19/41/1371881941.db2.gz QDCGUUUDCIGLRS-OAHLLOKOSA-N 1 2 344.459 2.026 20 30 EEEDLO C=CCN(c1nnc([C@H]2CCC[N@H+]2C)n1C[C@H]1CCOC1)C1CC1 ZINC001123110204 1372096479 /nfs/dbraw/zinc/09/64/79/1372096479.db2.gz CWEOCDMECBEZGQ-GDBMZVCRSA-N 1 2 331.464 2.236 20 30 EEEDLO C=CCN(c1nnc([C@H]2CCC[N@@H+]2C)n1C[C@H]1CCOC1)C1CC1 ZINC001123110204 1372096482 /nfs/dbraw/zinc/09/64/82/1372096482.db2.gz CWEOCDMECBEZGQ-GDBMZVCRSA-N 1 2 331.464 2.236 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ccc(=O)n(C)c2)C1 ZINC001366804853 1374029656 /nfs/dbraw/zinc/02/96/56/1374029656.db2.gz GCCKGEIARZVRIC-HNNXBMFYSA-N 1 2 337.851 2.064 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccc(=O)n(C)c2)C1 ZINC001366804853 1374029657 /nfs/dbraw/zinc/02/96/57/1374029657.db2.gz GCCKGEIARZVRIC-HNNXBMFYSA-N 1 2 337.851 2.064 20 30 EEEDLO CCCN(C(=O)[C@H](C)C#N)C1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC001370088205 1374795649 /nfs/dbraw/zinc/79/56/49/1374795649.db2.gz LCVFVRDNSVZLMY-OAHLLOKOSA-N 1 2 329.448 2.148 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)CCOC)C(C)(C)C1 ZINC001377315586 1379126812 /nfs/dbraw/zinc/12/68/12/1379126812.db2.gz NKGYNXANVYOLTH-GFCCVEGCSA-N 1 2 333.270 2.148 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)CCOC)C(C)(C)C1 ZINC001377315586 1379126816 /nfs/dbraw/zinc/12/68/16/1379126816.db2.gz NKGYNXANVYOLTH-GFCCVEGCSA-N 1 2 333.270 2.148 20 30 EEEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1cnc(C)cn1 ZINC001377466708 1379267292 /nfs/dbraw/zinc/26/72/92/1379267292.db2.gz BMXSVRXXHNNBFV-UHFFFAOYSA-N 1 2 341.253 2.135 20 30 EEEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1cnc(C)cn1 ZINC001377466708 1379267300 /nfs/dbraw/zinc/26/73/00/1379267300.db2.gz BMXSVRXXHNNBFV-UHFFFAOYSA-N 1 2 341.253 2.135 20 30 EEEDLO CCc1cccc(C)c1NC(=O)C[N@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001379029888 1380405580 /nfs/dbraw/zinc/40/55/80/1380405580.db2.gz CABFAIYMZUQEJA-OAHLLOKOSA-N 1 2 344.459 2.046 20 30 EEEDLO CCc1cccc(C)c1NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001379029888 1380405581 /nfs/dbraw/zinc/40/55/81/1380405581.db2.gz CABFAIYMZUQEJA-OAHLLOKOSA-N 1 2 344.459 2.046 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@@H](C)NC(=O)C1CCCC1 ZINC001379142981 1380574650 /nfs/dbraw/zinc/57/46/50/1380574650.db2.gz HBTPGIQHTPLQLI-CQSZACIVSA-N 1 2 343.899 2.214 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@@H](C)NC(=O)C1CCCC1 ZINC001379142981 1380574651 /nfs/dbraw/zinc/57/46/51/1380574651.db2.gz HBTPGIQHTPLQLI-CQSZACIVSA-N 1 2 343.899 2.214 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCC(=O)NC2CCCC2)C1 ZINC001381803466 1381812340 /nfs/dbraw/zinc/81/23/40/1381812340.db2.gz AEIVUGKGVVJAAF-ZDUSSCGKSA-N 1 2 341.883 2.014 20 30 EEEDLO Cc1nc(CC(=O)NCC[N@@H+](C)Cc2cc(C#N)ccc2F)cs1 ZINC001390861359 1388828857 /nfs/dbraw/zinc/82/88/57/1388828857.db2.gz HIBIIIZXLABUGZ-UHFFFAOYSA-N 1 2 346.431 2.253 20 30 EEEDLO Cc1nc(CC(=O)NCC[N@H+](C)Cc2cc(C#N)ccc2F)cs1 ZINC001390861359 1388828862 /nfs/dbraw/zinc/82/88/62/1388828862.db2.gz HIBIIIZXLABUGZ-UHFFFAOYSA-N 1 2 346.431 2.253 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCC[C@H](C[N@H+](C)Cc2nncn2C)C1 ZINC001752516376 1406315512 /nfs/dbraw/zinc/31/55/12/1406315512.db2.gz DODKHHZBYFHZSP-HZPDHXFCSA-N 1 2 333.480 2.088 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCC[C@H](C[N@@H+](C)Cc2nncn2C)C1 ZINC001752516376 1406315523 /nfs/dbraw/zinc/31/55/23/1406315523.db2.gz DODKHHZBYFHZSP-HZPDHXFCSA-N 1 2 333.480 2.088 20 30 EEEDLO COCC1(C(=O)NCC[N@H+](Cc2cc(C#N)ccc2F)C2CC2)CC1 ZINC001391174856 1389097256 /nfs/dbraw/zinc/09/72/56/1389097256.db2.gz MGGPNFYGDRQDRF-UHFFFAOYSA-N 1 2 345.418 2.205 20 30 EEEDLO COCC1(C(=O)NCC[N@@H+](Cc2cc(C#N)ccc2F)C2CC2)CC1 ZINC001391174856 1389097261 /nfs/dbraw/zinc/09/72/61/1389097261.db2.gz MGGPNFYGDRQDRF-UHFFFAOYSA-N 1 2 345.418 2.205 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)CC[C@@H]1CCOC1 ZINC001392265649 1389938477 /nfs/dbraw/zinc/93/84/77/1389938477.db2.gz KIDURYNKEASFJN-MRXNPFEDSA-N 1 2 329.444 2.265 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)CC[C@@H]1CCOC1 ZINC001392265649 1389938481 /nfs/dbraw/zinc/93/84/81/1389938481.db2.gz KIDURYNKEASFJN-MRXNPFEDSA-N 1 2 329.444 2.265 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)CCc1ccon1 ZINC001392290718 1389955421 /nfs/dbraw/zinc/95/54/21/1389955421.db2.gz CNYQBVUIJRCCQP-UHFFFAOYSA-N 1 2 326.400 2.069 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)CCc1ccon1 ZINC001392290718 1389955422 /nfs/dbraw/zinc/95/54/22/1389955422.db2.gz CNYQBVUIJRCCQP-UHFFFAOYSA-N 1 2 326.400 2.069 20 30 EEEDLO C=CCCCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](Cc2ncnn2CC)C1 ZINC001752842669 1406475505 /nfs/dbraw/zinc/47/55/05/1406475505.db2.gz ZLWOSVNWGZVFKP-HZPDHXFCSA-N 1 2 333.480 2.371 20 30 EEEDLO C=CCCCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](Cc2ncnn2CC)C1 ZINC001752842669 1406475508 /nfs/dbraw/zinc/47/55/08/1406475508.db2.gz ZLWOSVNWGZVFKP-HZPDHXFCSA-N 1 2 333.480 2.371 20 30 EEEDLO C#CCCCC(=O)N[C@@H](C)C[N@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC001754307629 1406882458 /nfs/dbraw/zinc/88/24/58/1406882458.db2.gz GEXDIJRXLJASAZ-LBPRGKRZSA-N 1 2 344.381 2.179 20 30 EEEDLO C#CCCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC001754307629 1406882462 /nfs/dbraw/zinc/88/24/62/1406882462.db2.gz GEXDIJRXLJASAZ-LBPRGKRZSA-N 1 2 344.381 2.179 20 30 EEEDLO C#CCCCC(=O)N[C@@H](C)C[N@H+](C)Cc1nc(-c2ccccc2)no1 ZINC001754307776 1406884559 /nfs/dbraw/zinc/88/45/59/1406884559.db2.gz IWKBFDKBLGEABT-HNNXBMFYSA-N 1 2 340.427 2.477 20 30 EEEDLO C#CCCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1nc(-c2ccccc2)no1 ZINC001754307776 1406884562 /nfs/dbraw/zinc/88/45/62/1406884562.db2.gz IWKBFDKBLGEABT-HNNXBMFYSA-N 1 2 340.427 2.477 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(-c2cnn(C)c2)o1 ZINC001401808010 1397588106 /nfs/dbraw/zinc/58/81/06/1397588106.db2.gz SZWUDNMNLDPKBG-GFCCVEGCSA-N 1 2 336.823 2.483 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(-c2cnn(C)c2)o1 ZINC001401808010 1397588111 /nfs/dbraw/zinc/58/81/11/1397588111.db2.gz SZWUDNMNLDPKBG-GFCCVEGCSA-N 1 2 336.823 2.483 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](F)Cc1ccccc1)CO2 ZINC001755065330 1407075139 /nfs/dbraw/zinc/07/51/39/1407075139.db2.gz IXWSQGGZGGRDGM-IRXDYDNUSA-N 1 2 332.419 2.103 20 30 EEEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@@]2(C)CCc3ccccc3C2)C1 ZINC001755344696 1407344768 /nfs/dbraw/zinc/34/47/68/1407344768.db2.gz QWFNQPWTDFVFLG-FQEVSTJZSA-N 1 2 342.483 2.311 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[N@@H+](Cc2noc3c2CCCC3)CC1(C)C ZINC001755405010 1407411291 /nfs/dbraw/zinc/41/12/91/1407411291.db2.gz DFDUELMDACVEKK-KRWDZBQOSA-N 1 2 347.459 2.083 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[N@H+](Cc2noc3c2CCCC3)CC1(C)C ZINC001755405010 1407411296 /nfs/dbraw/zinc/41/12/96/1407411296.db2.gz DFDUELMDACVEKK-KRWDZBQOSA-N 1 2 347.459 2.083 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(Cl)nc2)C[C@@H]1NC(=O)C#CC1CC1 ZINC001755408690 1407418897 /nfs/dbraw/zinc/41/88/97/1407418897.db2.gz UCAKJDLNINXLNR-HNNXBMFYSA-N 1 2 331.847 2.475 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(Cl)nc2)C[C@@H]1NC(=O)C#CC1CC1 ZINC001755408690 1407418900 /nfs/dbraw/zinc/41/89/00/1407418900.db2.gz UCAKJDLNINXLNR-HNNXBMFYSA-N 1 2 331.847 2.475 20 30 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330.432 2.132 20 30 EEEDLO CCCCc1nc(CO[NH+]=C(N)Cc2ccc(OC)c(OC)c2)no1 ZINC000067099197 780614179 /nfs/dbraw/zinc/61/41/79/780614179.db2.gz YYZGFZVIQFXVCC-UHFFFAOYSA-N 1 2 348.403 2.461 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CCC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001098695633 781342312 /nfs/dbraw/zinc/34/23/12/781342312.db2.gz GXRSCHNQWCZFOC-RDJZCZTQSA-N 1 2 346.475 2.420 20 30 EEEDLO Cn1c2ccccc2nc1C[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001075776645 781476916 /nfs/dbraw/zinc/47/69/16/781476916.db2.gz ZNYUJECXJDKUIW-QFBILLFUSA-N 1 2 348.450 2.019 20 30 EEEDLO Cn1c2ccccc2nc1C[N@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001075776645 781476924 /nfs/dbraw/zinc/47/69/24/781476924.db2.gz ZNYUJECXJDKUIW-QFBILLFUSA-N 1 2 348.450 2.019 20 30 EEEDLO C=CCOc1ccc(C(=O)NC2C[NH+](C[C@H]3CC[C@@H](C)O3)C2)cc1 ZINC001030541321 790899928 /nfs/dbraw/zinc/89/99/28/790899928.db2.gz KPQQMRRILCNGBE-RDTXWAMCSA-N 1 2 330.428 2.233 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1nc(C)c(C)o1 ZINC001087535211 781743736 /nfs/dbraw/zinc/74/37/36/781743736.db2.gz YBOMKKNPOGNFKJ-GOEBONIOSA-N 1 2 341.415 2.274 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1nc(C)c(C)o1 ZINC001087535211 781743746 /nfs/dbraw/zinc/74/37/46/781743746.db2.gz YBOMKKNPOGNFKJ-GOEBONIOSA-N 1 2 341.415 2.274 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCCCC[C@@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001088281459 783351722 /nfs/dbraw/zinc/35/17/22/783351722.db2.gz NMYSRGJNODHUSH-DZGCQCFKSA-N 1 2 345.447 2.043 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc3c(c2)CCO3)C1 ZINC001033300473 783427043 /nfs/dbraw/zinc/42/70/43/783427043.db2.gz MZPKAMMIVCAQTG-MRXNPFEDSA-N 1 2 334.847 2.449 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc3c(c2)CCO3)C1 ZINC001033300473 783427051 /nfs/dbraw/zinc/42/70/51/783427051.db2.gz MZPKAMMIVCAQTG-MRXNPFEDSA-N 1 2 334.847 2.449 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3c(C)[nH]nc3Cl)[C@@H]2C1 ZINC001075868070 783488392 /nfs/dbraw/zinc/48/83/92/783488392.db2.gz WKTVILHWUWDIPH-WDEREUQCSA-N 1 2 329.231 2.270 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3c(C)[nH]nc3Cl)[C@@H]2C1 ZINC001075868070 783488399 /nfs/dbraw/zinc/48/83/99/783488399.db2.gz WKTVILHWUWDIPH-WDEREUQCSA-N 1 2 329.231 2.270 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccn(C3CCCCC3)n2)C1 ZINC001035374621 784394080 /nfs/dbraw/zinc/39/40/80/784394080.db2.gz NFWHLYMKIFWYKU-KRWDZBQOSA-N 1 2 346.475 2.395 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccn(C3CCCCC3)n2)C1 ZINC001035374621 784394089 /nfs/dbraw/zinc/39/40/89/784394089.db2.gz NFWHLYMKIFWYKU-KRWDZBQOSA-N 1 2 346.475 2.395 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2sc(C3CC3)nc2C)C1 ZINC001035361671 784410168 /nfs/dbraw/zinc/41/01/68/784410168.db2.gz OIDRZFAOKUFLFW-CQSZACIVSA-N 1 2 335.473 2.336 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2sc(C3CC3)nc2C)C1 ZINC001035361671 784410173 /nfs/dbraw/zinc/41/01/73/784410173.db2.gz OIDRZFAOKUFLFW-CQSZACIVSA-N 1 2 335.473 2.336 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001035413614 784489334 /nfs/dbraw/zinc/48/93/34/784489334.db2.gz FJRXFUOWOSXZDH-MCIONIFRSA-N 1 2 334.382 2.358 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC001035413614 784489341 /nfs/dbraw/zinc/48/93/41/784489341.db2.gz FJRXFUOWOSXZDH-MCIONIFRSA-N 1 2 334.382 2.358 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cn(CC)c3ccccc23)C1 ZINC001035437625 784525547 /nfs/dbraw/zinc/52/55/47/784525547.db2.gz DLMLDRSIQGIVLL-OAHLLOKOSA-N 1 2 327.428 2.278 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cn(CC)c3ccccc23)C1 ZINC001035437625 784525554 /nfs/dbraw/zinc/52/55/54/784525554.db2.gz DLMLDRSIQGIVLL-OAHLLOKOSA-N 1 2 327.428 2.278 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ncsc2C(F)(F)F)C1 ZINC001035442706 784536503 /nfs/dbraw/zinc/53/65/03/784536503.db2.gz OZARNVLEHHPMRK-JTQLQIEISA-N 1 2 349.378 2.169 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ncsc2C(F)(F)F)C1 ZINC001035442706 784536509 /nfs/dbraw/zinc/53/65/09/784536509.db2.gz OZARNVLEHHPMRK-JTQLQIEISA-N 1 2 349.378 2.169 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c(F)ccc(F)c2F)C1 ZINC001035490566 784578370 /nfs/dbraw/zinc/57/83/70/784578370.db2.gz YJGJVSBVRQRXQK-NSHDSACASA-N 1 2 328.334 2.111 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c(F)ccc(F)c2F)C1 ZINC001035490566 784578376 /nfs/dbraw/zinc/57/83/76/784578376.db2.gz YJGJVSBVRQRXQK-NSHDSACASA-N 1 2 328.334 2.111 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001035540496 784645581 /nfs/dbraw/zinc/64/55/81/784645581.db2.gz BKHFFXFVTJTANE-BHYGNILZSA-N 1 2 332.419 2.322 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001035540496 784645585 /nfs/dbraw/zinc/64/55/85/784645585.db2.gz BKHFFXFVTJTANE-BHYGNILZSA-N 1 2 332.419 2.322 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001035546104 784654532 /nfs/dbraw/zinc/65/45/32/784654532.db2.gz YPXUYJLSYVUFCQ-YTQUADARSA-N 1 2 328.456 2.492 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001035546104 784654537 /nfs/dbraw/zinc/65/45/37/784654537.db2.gz YPXUYJLSYVUFCQ-YTQUADARSA-N 1 2 328.456 2.492 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2O[C@H](C)CC)C1 ZINC001035523433 784668016 /nfs/dbraw/zinc/66/80/16/784668016.db2.gz SOCJTNTXBAVFDW-HZPDHXFCSA-N 1 2 332.444 2.481 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccccc2O[C@H](C)CC)C1 ZINC001035523433 784668020 /nfs/dbraw/zinc/66/80/20/784668020.db2.gz SOCJTNTXBAVFDW-HZPDHXFCSA-N 1 2 332.444 2.481 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(F)c2Cl)C1 ZINC001035524373 784669200 /nfs/dbraw/zinc/66/92/00/784669200.db2.gz QFAKJTPTYRPBBX-LBPRGKRZSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(F)c2Cl)C1 ZINC001035524373 784669203 /nfs/dbraw/zinc/66/92/03/784669203.db2.gz QFAKJTPTYRPBBX-LBPRGKRZSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c(C)noc2C(F)(F)F)C1 ZINC001035527544 784677325 /nfs/dbraw/zinc/67/73/25/784677325.db2.gz XEVDHHPXAOYCGN-LLVKDONJSA-N 1 2 347.337 2.009 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2c(C)noc2C(F)(F)F)C1 ZINC001035527544 784677329 /nfs/dbraw/zinc/67/73/29/784677329.db2.gz XEVDHHPXAOYCGN-LLVKDONJSA-N 1 2 347.337 2.009 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Cl)ccc2OC)C1 ZINC001035603610 784764795 /nfs/dbraw/zinc/76/47/95/784764795.db2.gz VDWFHPCVAGZGFY-CQSZACIVSA-N 1 2 338.835 2.355 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(Cl)ccc2OC)C1 ZINC001035603610 784764802 /nfs/dbraw/zinc/76/48/02/784764802.db2.gz VDWFHPCVAGZGFY-CQSZACIVSA-N 1 2 338.835 2.355 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2c(Cl)cccc2Cl)C1 ZINC001035589187 784798670 /nfs/dbraw/zinc/79/86/70/784798670.db2.gz GKOVCWSAVOAIKN-LBPRGKRZSA-N 1 2 341.238 2.447 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2c(Cl)cccc2Cl)C1 ZINC001035589187 784798677 /nfs/dbraw/zinc/79/86/77/784798677.db2.gz GKOVCWSAVOAIKN-LBPRGKRZSA-N 1 2 341.238 2.447 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC001035589684 784800685 /nfs/dbraw/zinc/80/06/85/784800685.db2.gz JUWQOMPTDWHUHW-OAHLLOKOSA-N 1 2 341.238 2.447 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC001035589684 784800692 /nfs/dbraw/zinc/80/06/92/784800692.db2.gz JUWQOMPTDWHUHW-OAHLLOKOSA-N 1 2 341.238 2.447 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2CC(c3ccc(F)cc3)C2)C1 ZINC001035621002 784812053 /nfs/dbraw/zinc/81/20/53/784812053.db2.gz JUSNCILHXQDAIB-LEOMRAHMSA-N 1 2 332.419 2.322 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2CC(c3ccc(F)cc3)C2)C1 ZINC001035621002 784812060 /nfs/dbraw/zinc/81/20/60/784812060.db2.gz JUSNCILHXQDAIB-LEOMRAHMSA-N 1 2 332.419 2.322 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC001035606592 784840229 /nfs/dbraw/zinc/84/02/29/784840229.db2.gz NSFOFBMFEGNZIF-MRXNPFEDSA-N 1 2 325.412 2.298 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC001035606592 784840239 /nfs/dbraw/zinc/84/02/39/784840239.db2.gz NSFOFBMFEGNZIF-MRXNPFEDSA-N 1 2 325.412 2.298 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[C@@](C)(O)C1CC1)CC2 ZINC001035691145 784948821 /nfs/dbraw/zinc/94/88/21/784948821.db2.gz FKKPASATTXTKPF-MRXNPFEDSA-N 1 2 326.868 2.214 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC2(C[NH+](Cc3nc4c(o3)CCCC4)C2)CC1 ZINC001035668463 784956700 /nfs/dbraw/zinc/95/67/00/784956700.db2.gz GMZKQMJFJKPPHH-CQSZACIVSA-N 1 2 342.443 2.137 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCn3cncc3C1)CC2 ZINC001035734730 785042039 /nfs/dbraw/zinc/04/20/39/785042039.db2.gz DFIYNWCNAFBNNQ-HNNXBMFYSA-N 1 2 348.878 2.122 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@]1(C)CCO[C@H]1C)CC2 ZINC001035760321 785073850 /nfs/dbraw/zinc/07/38/50/785073850.db2.gz NSXCXBXUKJHBOF-GOEBONIOSA-N 1 2 326.868 2.478 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)Cc1cscn1)CC2 ZINC001035812191 785212893 /nfs/dbraw/zinc/21/28/93/785212893.db2.gz RWGQISAZYSMSFG-UHFFFAOYSA-N 1 2 325.865 2.363 20 30 EEEDLO C#C[C@@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Cl)cc1 ZINC000820560420 785973288 /nfs/dbraw/zinc/97/32/88/785973288.db2.gz UWHQYFBVTCUZKT-IXDOHACOSA-N 1 2 347.846 2.177 20 30 EEEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Cl)cc1 ZINC000820560420 785973295 /nfs/dbraw/zinc/97/32/95/785973295.db2.gz UWHQYFBVTCUZKT-IXDOHACOSA-N 1 2 347.846 2.177 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC(F)F)C2 ZINC001109556886 805665326 /nfs/dbraw/zinc/66/53/26/805665326.db2.gz BPZULXFXYDGFKR-PMPSAXMXSA-N 1 2 349.381 2.061 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC(F)F)C2 ZINC001109556886 805665331 /nfs/dbraw/zinc/66/53/31/805665331.db2.gz BPZULXFXYDGFKR-PMPSAXMXSA-N 1 2 349.381 2.061 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3ncccc3c2)[C@H](O)C1 ZINC001090538191 786791105 /nfs/dbraw/zinc/79/11/05/786791105.db2.gz GDIBUEGENJSLTA-DLBZAZTESA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3ncccc3c2)[C@H](O)C1 ZINC001090538191 786791111 /nfs/dbraw/zinc/79/11/11/786791111.db2.gz GDIBUEGENJSLTA-DLBZAZTESA-N 1 2 345.830 2.152 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cccc(Cl)n3)C[C@H]2O)C1 ZINC001090552481 786851203 /nfs/dbraw/zinc/85/12/03/786851203.db2.gz DAMXZTDRFURYOE-LSDHHAIUSA-N 1 2 349.862 2.143 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(Cl)n3)C[C@H]2O)C1 ZINC001090552481 786851209 /nfs/dbraw/zinc/85/12/09/786851209.db2.gz DAMXZTDRFURYOE-LSDHHAIUSA-N 1 2 349.862 2.143 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NC/C=C\CNc3ccc(C#N)cn3)ccn12 ZINC001107361170 786993379 /nfs/dbraw/zinc/99/33/79/786993379.db2.gz BTFOYKIUNYWPJU-IHWYPQMZSA-N 1 2 346.394 2.308 20 30 EEEDLO C#CCC1(C(=O)N2CCCO[C@@H](CNc3cc[nH+]c(C)n3)C2)CCC1 ZINC001090578718 787038646 /nfs/dbraw/zinc/03/86/46/787038646.db2.gz RSWZOPBJOJYMNA-INIZCTEOSA-N 1 2 342.443 2.008 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH]ccc32)[C@@H](O)C1 ZINC001090584230 787071971 /nfs/dbraw/zinc/07/19/71/787071971.db2.gz 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C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3ccccc3n2)[C@@H](O)C1 ZINC001090752221 788072028 /nfs/dbraw/zinc/07/20/28/788072028.db2.gz QXDRCJPPKNNLGC-WBVHZDCISA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3ccccc3n2)[C@@H](O)C1 ZINC001090752221 788072037 /nfs/dbraw/zinc/07/20/37/788072037.db2.gz QXDRCJPPKNNLGC-WBVHZDCISA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2)[C@@H](O)C1 ZINC001090752542 788074936 /nfs/dbraw/zinc/07/49/36/788074936.db2.gz VSZQFFQDDWHYLL-KBPBESRZSA-N 1 2 329.227 2.258 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2)[C@@H](O)C1 ZINC001090752542 788074947 /nfs/dbraw/zinc/07/49/47/788074947.db2.gz VSZQFFQDDWHYLL-KBPBESRZSA-N 1 2 329.227 2.258 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2sc(C)cc2C)[C@@H](O)C1 ZINC001090766690 788147722 /nfs/dbraw/zinc/14/77/22/788147722.db2.gz FUDONTRULMNJIX-KBPBESRZSA-N 1 2 342.892 2.211 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2sc(C)cc2C)[C@@H](O)C1 ZINC001090766690 788147727 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N#Cc1c(F)cccc1NC[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001063510694 791189896 /nfs/dbraw/zinc/18/98/96/791189896.db2.gz QYZJLZGPPRTWIQ-GFCCVEGCSA-N 1 2 327.363 2.066 20 30 EEEDLO C=C(C)CCC(=O)NC1(CNC(=O)Cc2c[nH+]ccc2OC)CCC1 ZINC001063494483 791198177 /nfs/dbraw/zinc/19/81/77/791198177.db2.gz SCHCPSNLPONGHK-UHFFFAOYSA-N 1 2 345.443 2.144 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(CO)ccc1F ZINC001032561802 791358179 /nfs/dbraw/zinc/35/81/79/791358179.db2.gz BWMBAUPLCIMRCB-HOTGVXAUSA-N 1 2 332.419 2.315 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(CO)ccc1F ZINC001032561802 791358180 /nfs/dbraw/zinc/35/81/80/791358180.db2.gz BWMBAUPLCIMRCB-HOTGVXAUSA-N 1 2 332.419 2.315 20 30 EEEDLO C=CCCCC(=O)NC1(CNC(=O)c2cccc3[nH+]ccn32)CCC1 ZINC001063621337 791426337 /nfs/dbraw/zinc/42/63/37/791426337.db2.gz KZNFXSVIJBZXKK-UHFFFAOYSA-N 1 2 340.427 2.459 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC2(C1)CC[N@H+](C/C(Cl)=C/Cl)C2 ZINC001147444982 791839852 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C=CCC[N@H+]1CCn2ncc(CNC(=O)/C=C/c3ccco3)c2C1 ZINC001128159728 797336147 /nfs/dbraw/zinc/33/61/47/797336147.db2.gz IBFBGQQKTHJZCE-VOTSOKGWSA-N 1 2 326.400 2.197 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095175504 797466665 /nfs/dbraw/zinc/46/66/65/797466665.db2.gz DRBCJVUOYXKSFS-LJQANCHMSA-N 1 2 346.475 2.274 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2oc3ccccc3c2C)[C@H](OC)C1 ZINC001082357309 797474458 /nfs/dbraw/zinc/47/44/58/797474458.db2.gz RPXUKTJSYLSVFV-NVXWUHKLSA-N 1 2 326.396 2.194 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2oc3ccccc3c2C)[C@H](OC)C1 ZINC001082357309 797474465 /nfs/dbraw/zinc/47/44/65/797474465.db2.gz RPXUKTJSYLSVFV-NVXWUHKLSA-N 1 2 326.396 2.194 20 30 EEEDLO CCN(CC)c1ccc(C=[NH+]NC(=S)N[C@H](C)COC)c(O)c1 ZINC000916281002 797570789 /nfs/dbraw/zinc/57/07/89/797570789.db2.gz GRQABMAYNGXUAP-GFCCVEGCSA-N 1 2 338.477 2.071 20 30 EEEDLO CC(C)CC(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001082983804 797783582 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C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc(N(C)C)ccn2)[C@H]1C ZINC000994513188 798124470 /nfs/dbraw/zinc/12/44/70/798124470.db2.gz YCENVGGXGXIECG-UKRRQHHQSA-N 1 2 336.867 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(N(C)C)ccn2)[C@H]1C ZINC000994513188 798124474 /nfs/dbraw/zinc/12/44/74/798124474.db2.gz YCENVGGXGXIECG-UKRRQHHQSA-N 1 2 336.867 2.483 20 30 EEEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)CSC)c2C1 ZINC001128186598 798174563 /nfs/dbraw/zinc/17/45/63/798174563.db2.gz HGZBGGFGLYSEHS-UHFFFAOYSA-N 1 2 336.505 2.424 20 30 EEEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)CSC)c2C1 ZINC001128186598 798174565 /nfs/dbraw/zinc/17/45/65/798174565.db2.gz HGZBGGFGLYSEHS-UHFFFAOYSA-N 1 2 336.505 2.424 20 30 EEEDLO CC(C)c1cnc(C[NH+]2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)o1 ZINC001002550544 798244108 /nfs/dbraw/zinc/24/41/08/798244108.db2.gz DUHLQVLUOJYJTN-UHFFFAOYSA-N 1 2 341.415 2.392 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(OC)nn3)C[C@H]21 ZINC001084634781 798328256 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20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3n[nH]c4ccccc43)[C@@H]2C1 ZINC001084807935 798470621 /nfs/dbraw/zinc/47/06/21/798470621.db2.gz PZNCSOQISRSESO-IUODEOHRSA-N 1 2 330.819 2.462 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC3=CCCCC3)C[C@@H]21 ZINC001176943502 798678555 /nfs/dbraw/zinc/67/85/55/798678555.db2.gz KTCWNNHJALIQEK-RBUKOAKNSA-N 1 2 348.487 2.381 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC3=CCCCC3)C[C@@H]21 ZINC001176943502 798678559 /nfs/dbraw/zinc/67/85/59/798678559.db2.gz KTCWNNHJALIQEK-RBUKOAKNSA-N 1 2 348.487 2.381 20 30 EEEDLO CCCCCCCCC(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001177140159 798768190 /nfs/dbraw/zinc/76/81/90/798768190.db2.gz WNASJKXHOOEXFR-MSOLQXFVSA-N 1 2 340.508 2.421 20 30 EEEDLO CCCCCCCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001177140159 798768192 /nfs/dbraw/zinc/76/81/92/798768192.db2.gz WNASJKXHOOEXFR-MSOLQXFVSA-N 1 2 340.508 2.421 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3(CCOC)CCC3)C[C@H]21 ZINC001177139910 798768663 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CC(C)(CNc1nc(C(F)(F)F)ccc1C#N)[NH+]1CCOCC1 ZINC000265282062 535155805 /nfs/dbraw/zinc/15/58/05/535155805.db2.gz WQFHTGVZMQEXFW-UHFFFAOYSA-N 1 2 328.338 2.495 20 30 EEEDLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCO2 ZINC000451643337 243188020 /nfs/dbraw/zinc/18/80/20/243188020.db2.gz OOCQJRCPXBCHAI-LIRRHRJNSA-N 1 2 345.443 2.333 20 30 EEEDLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCO2 ZINC000451643337 243188025 /nfs/dbraw/zinc/18/80/25/243188025.db2.gz OOCQJRCPXBCHAI-LIRRHRJNSA-N 1 2 345.443 2.333 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000080913862 217340418 /nfs/dbraw/zinc/34/04/18/217340418.db2.gz DXFISXFBGJIJEZ-KRWDZBQOSA-N 1 2 330.428 2.188 20 30 EEEDLO C#CC[N@@H+](Cc1nnc2n1c1ccccc1c(=O)n2CC)C1CCCC1 ZINC000491537562 246065199 /nfs/dbraw/zinc/06/51/99/246065199.db2.gz RWGCOMPXVMYQHR-UHFFFAOYSA-N 1 2 349.438 2.442 20 30 EEEDLO C#CC[N@H+](Cc1nnc2n1c1ccccc1c(=O)n2CC)C1CCCC1 ZINC000491537562 246065204 /nfs/dbraw/zinc/06/52/04/246065204.db2.gz RWGCOMPXVMYQHR-UHFFFAOYSA-N 1 2 349.438 2.442 20 30 EEEDLO C#C[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000491796271 246157709 /nfs/dbraw/zinc/15/77/09/246157709.db2.gz YZLSWYNEPMLSLY-MRXNPFEDSA-N 1 2 347.846 2.178 20 30 EEEDLO C#C[C@@H](CC)NC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000491815740 246165231 /nfs/dbraw/zinc/16/52/31/246165231.db2.gz LMFKUDOXBSDXBH-HNNXBMFYSA-N 1 2 333.407 2.073 20 30 EEEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000270996707 256196881 /nfs/dbraw/zinc/19/68/81/256196881.db2.gz FMHYYVIQAHGPNP-UHFFFAOYSA-N 1 2 333.395 2.156 20 30 EEEDLO CN(Cc1[nH+]ccn1C)C(=O)NCCSCc1ccccc1C#N ZINC000271745009 256239841 /nfs/dbraw/zinc/23/98/41/256239841.db2.gz WGCNDSOWWANCLK-UHFFFAOYSA-N 1 2 343.456 2.367 20 30 EEEDLO C#C[C@@H](NC(=O)C(=O)Nc1c[nH+]ccc1OC)c1ccc(Cl)cc1 ZINC000491707981 533246933 /nfs/dbraw/zinc/24/69/33/533246933.db2.gz MHLKCLJKCYNFII-CYBMUJFWSA-N 1 2 343.770 2.173 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC2)c1 ZINC000051877494 132181987 /nfs/dbraw/zinc/18/19/87/132181987.db2.gz XZZQGWLRHGCUHT-QGZVFWFLSA-N 1 2 344.365 2.087 20 30 EEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3O)CC2)cc1 ZINC000058159164 132803605 /nfs/dbraw/zinc/80/36/05/132803605.db2.gz XQNOEKHLIGKWHN-UHFFFAOYSA-N 1 2 336.395 2.025 20 30 EEEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)COc2ccc(C#N)cc2)C1 ZINC000120194570 159389013 /nfs/dbraw/zinc/38/90/13/159389013.db2.gz LPFOAHSVJPVXQB-MRXNPFEDSA-N 1 2 338.411 2.152 20 30 EEEDLO N#Cc1cnc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c(Cl)c1 ZINC000343345136 161127059 /nfs/dbraw/zinc/12/70/59/161127059.db2.gz DHKIWWBLBJKBER-UHFFFAOYSA-N 1 2 338.758 2.499 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000346474967 161375446 /nfs/dbraw/zinc/37/54/46/161375446.db2.gz BUNINVJGZCSEQU-RHSMWYFYSA-N 1 2 336.395 2.434 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000346474967 161375447 /nfs/dbraw/zinc/37/54/47/161375447.db2.gz BUNINVJGZCSEQU-RHSMWYFYSA-N 1 2 336.395 2.434 20 30 EEEDLO CCOC(=O)[C@@H]([NH2+]CCCOc1cccc(C#N)c1)[C@@H]1CCCOC1 ZINC000359844027 164183312 /nfs/dbraw/zinc/18/33/12/164183312.db2.gz SRSOAWFEORFNJQ-AEFFLSMTSA-N 1 2 346.427 2.275 20 30 EEEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccccn2)CC1)c1cccc(C#N)c1 ZINC000359851100 164185218 /nfs/dbraw/zinc/18/52/18/164185218.db2.gz WKYRVXQNCQJHEJ-MRXNPFEDSA-N 1 2 334.423 2.401 20 30 EEEDLO Cc1oc(NC(=O)C[NH+]2CCC([C@@H]3CCOC3)CC2)c(C#N)c1C ZINC000368233111 166073792 /nfs/dbraw/zinc/07/37/92/166073792.db2.gz DRRWJAPKEDKETC-OAHLLOKOSA-N 1 2 331.416 2.455 20 30 EEEDLO N#Cc1ccccc1CSCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376714372 167380592 /nfs/dbraw/zinc/38/05/92/167380592.db2.gz ALQQMKAAYAPUMI-OAHLLOKOSA-N 1 2 340.452 2.367 20 30 EEEDLO CCCn1nc(C)c(C[NH+]2CCN(c3ncccc3C#N)CC2)c1C ZINC000122905493 222179783 /nfs/dbraw/zinc/17/97/83/222179783.db2.gz WFWBCSMXTCTKTN-UHFFFAOYSA-N 1 2 338.459 2.499 20 30 EEEDLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000286668964 267172552 /nfs/dbraw/zinc/17/25/52/267172552.db2.gz PIRDPQNRNSCFDK-RLFYNMQTSA-N 1 2 342.443 2.124 20 30 EEEDLO COC(=O)C1([NH2+]CCC(=O)Nc2ccccc2C#N)CCCCC1 ZINC000411275926 267358636 /nfs/dbraw/zinc/35/86/36/267358636.db2.gz LFAVQZRFRYJDDZ-UHFFFAOYSA-N 1 2 329.400 2.352 20 30 EEEDLO N#Cc1ccc(OCCNc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000302914390 268176373 /nfs/dbraw/zinc/17/63/73/268176373.db2.gz VBCPOWYSGHVDPJ-UHFFFAOYSA-N 1 2 341.440 2.392 20 30 EEEDLO N#Cc1ccc(OCCNc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000302914390 268176376 /nfs/dbraw/zinc/17/63/76/268176376.db2.gz VBCPOWYSGHVDPJ-UHFFFAOYSA-N 1 2 341.440 2.392 20 30 EEEDLO Cc1oc(C#N)cc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000280613314 269379045 /nfs/dbraw/zinc/37/90/45/269379045.db2.gz QRSPIZSWRCJRAE-KRWDZBQOSA-N 1 2 339.395 2.091 20 30 EEEDLO Cc1oc(C#N)cc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000280613314 269379046 /nfs/dbraw/zinc/37/90/46/269379046.db2.gz QRSPIZSWRCJRAE-KRWDZBQOSA-N 1 2 339.395 2.091 20 30 EEEDLO CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@H](O)C(F)(F)F ZINC000189487466 276144906 /nfs/dbraw/zinc/14/49/06/276144906.db2.gz XJAYMMHRVXBGAI-LBPRGKRZSA-N 1 2 340.305 2.353 20 30 EEEDLO CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@H](O)C(F)(F)F ZINC000189487466 276144908 /nfs/dbraw/zinc/14/49/08/276144908.db2.gz XJAYMMHRVXBGAI-LBPRGKRZSA-N 1 2 340.305 2.353 20 30 EEEDLO COc1ccc(C#N)cc1C[NH+]1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000159878312 311347551 /nfs/dbraw/zinc/34/75/51/311347551.db2.gz PLYGAJUPPWNINL-UHFFFAOYSA-N 1 2 340.427 2.490 20 30 EEEDLO Cc1cc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(C#N)cc1N(C)C ZINC000572585671 319858620 /nfs/dbraw/zinc/85/86/20/319858620.db2.gz DUNNBUZGXIKRFH-CQSZACIVSA-N 1 2 338.415 2.266 20 30 EEEDLO COC(=O)c1ccc(NC[C@H]2CCCn3cc(C)[nH+]c32)c(C#N)n1 ZINC000581439974 324255715 /nfs/dbraw/zinc/25/57/15/324255715.db2.gz PQUUNENJUFVTJV-GFCCVEGCSA-N 1 2 325.372 2.234 20 30 EEEDLO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)n1C ZINC000581860820 324328814 /nfs/dbraw/zinc/32/88/14/324328814.db2.gz NBJQUTRIQYJJJY-MRXNPFEDSA-N 1 2 338.411 2.245 20 30 EEEDLO Cc1cc(C(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)n1C ZINC000581860820 324328821 /nfs/dbraw/zinc/32/88/21/324328821.db2.gz NBJQUTRIQYJJJY-MRXNPFEDSA-N 1 2 338.411 2.245 20 30 EEEDLO Cc1nc(NCc2cccc(C(=O)N3CC[C@@](F)(C#N)C3)c2)cc[nH+]1 ZINC000615826337 450253189 /nfs/dbraw/zinc/25/31/89/450253189.db2.gz RVPCUHHSSKJQGS-GOSISDBHSA-N 1 2 339.374 2.475 20 30 EEEDLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1C=CCCCCC1 ZINC000328771993 465124477 /nfs/dbraw/zinc/12/44/77/465124477.db2.gz RKTYXGLVOQSDIQ-CABCVRRESA-N 1 2 328.478 2.341 20 30 EEEDLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1C=CCCCCC1 ZINC000328771993 465124482 /nfs/dbraw/zinc/12/44/82/465124482.db2.gz RKTYXGLVOQSDIQ-CABCVRRESA-N 1 2 328.478 2.341 20 30 EEEDLO N#Cc1ccncc1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000358449262 465128992 /nfs/dbraw/zinc/12/89/92/465128992.db2.gz LYKHJZSOZZWHGN-UHFFFAOYSA-N 1 2 331.379 2.171 20 30 EEEDLO Cn1nccc1COCC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000328798500 465130798 /nfs/dbraw/zinc/13/07/98/465130798.db2.gz GFDPTWYQUIIZNN-CYBMUJFWSA-N 1 2 345.447 2.402 20 30 EEEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@H](C2CCOCC2)C1 ZINC000328823322 465139732 /nfs/dbraw/zinc/13/97/32/465139732.db2.gz IIUCZFDEYGRWLC-DLBZAZTESA-N 1 2 344.459 2.323 20 30 EEEDLO COCC1(C#N)CCN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000341494841 465198399 /nfs/dbraw/zinc/19/83/99/465198399.db2.gz JKDHSYFRFORKGS-HNNXBMFYSA-N 1 2 345.447 2.031 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@H]2CCCCO2)CCC(=O)N1C1CC1 ZINC000329011297 465201773 /nfs/dbraw/zinc/20/17/73/465201773.db2.gz IGBBVOMGMPBYCR-FRFSOERESA-N 1 2 346.431 2.140 20 30 EEEDLO [O-]C(=[NH+]CCc1nc2c(s1)CCCC2)N1CCn2cc[nH+]c2C1 ZINC000329071280 465223413 /nfs/dbraw/zinc/22/34/13/465223413.db2.gz YXFZHOUSWNSBRP-UHFFFAOYSA-N 1 2 331.445 2.191 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2ccccc2)C(C)C)C1=O ZINC000337198645 465238798 /nfs/dbraw/zinc/23/87/98/465238798.db2.gz AHCRVOFQBUHOFI-PKOBYXMFSA-N 1 2 343.471 2.219 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2ccccc2)C(C)C)C1=O ZINC000337198645 465238801 /nfs/dbraw/zinc/23/88/01/465238801.db2.gz AHCRVOFQBUHOFI-PKOBYXMFSA-N 1 2 343.471 2.219 20 30 EEEDLO C=CC[C@H]1N(C(=O)C(=O)N(C)CCCn2cc[nH+]c2)CCCC1(C)C ZINC000297804541 465271159 /nfs/dbraw/zinc/27/11/59/465271159.db2.gz OVXWLZNQMNKVGK-MRXNPFEDSA-N 1 2 346.475 2.325 20 30 EEEDLO C=C(C)CN(CC)C(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000297969629 465275796 /nfs/dbraw/zinc/27/57/96/465275796.db2.gz WCIWUMOOYJHXLJ-HNNXBMFYSA-N 1 2 349.500 2.378 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cnc2c(c1)CCCC2 ZINC000329240517 465277475 /nfs/dbraw/zinc/27/74/75/465277475.db2.gz MTLHHBBQFUFJIE-PBHICJAKSA-N 1 2 344.459 2.301 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)N(CC(F)(F)F)C(C)C)CC1 ZINC000341993117 465282926 /nfs/dbraw/zinc/28/29/26/465282926.db2.gz OHFUGRSMLWPHDE-UHFFFAOYSA-N 1 2 335.370 2.038 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C1(N3CCOCC3)CCC1)CCC2 ZINC000329345463 465307252 /nfs/dbraw/zinc/30/72/52/465307252.db2.gz USDWVEKAPICBNF-HNNXBMFYSA-N 1 2 332.448 2.280 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC(F)(F)C1)C1CCOCC1 ZINC000329348539 465308214 /nfs/dbraw/zinc/30/82/14/465308214.db2.gz SFHMJLDZEAQKSM-LBPRGKRZSA-N 1 2 328.363 2.143 20 30 EEEDLO CC(C)OCCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000298326608 465363649 /nfs/dbraw/zinc/36/36/49/465363649.db2.gz XEEZYWCIVDFNRJ-UHFFFAOYSA-N 1 2 344.459 2.201 20 30 EEEDLO CC(C)CO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000044953968 462543389 /nfs/dbraw/zinc/54/33/89/462543389.db2.gz XEGYVVYBIAEFOK-INIZCTEOSA-N 1 2 329.444 2.264 20 30 EEEDLO N#Cc1cccc(OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000045101668 462559128 /nfs/dbraw/zinc/55/91/28/462559128.db2.gz NEASJMBUVMRTEX-UHFFFAOYSA-N 1 2 341.436 2.343 20 30 EEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000085826196 462561579 /nfs/dbraw/zinc/56/15/79/462561579.db2.gz SPGPLLSTRLWNSN-CQSZACIVSA-N 1 2 341.415 2.185 20 30 EEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000085826196 462561582 /nfs/dbraw/zinc/56/15/82/462561582.db2.gz SPGPLLSTRLWNSN-CQSZACIVSA-N 1 2 341.415 2.185 20 30 EEEDLO CSCc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000060794189 462565311 /nfs/dbraw/zinc/56/53/11/462565311.db2.gz NKUXZZBLICTEBC-UHFFFAOYSA-N 1 2 347.484 2.238 20 30 EEEDLO C=CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)c1nc2c(s1)CCCC2 ZINC000086209709 462568366 /nfs/dbraw/zinc/56/83/66/462568366.db2.gz YYZYBMJDEWRODG-CQSZACIVSA-N 1 2 335.473 2.262 20 30 EEEDLO C=CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)c1nc2c(s1)CCCC2 ZINC000086209709 462568368 /nfs/dbraw/zinc/56/83/68/462568368.db2.gz YYZYBMJDEWRODG-CQSZACIVSA-N 1 2 335.473 2.262 20 30 EEEDLO N#CC1(NC(=O)CN2CC[NH+](Cc3ccsc3)CC2)CCCCC1 ZINC000535254013 468304488 /nfs/dbraw/zinc/30/44/88/468304488.db2.gz AENAEIIQFCLMAP-UHFFFAOYSA-N 1 2 346.500 2.208 20 30 EEEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@]3(C#N)CCSC3)cn2c1 ZINC000114684239 462671297 /nfs/dbraw/zinc/67/12/97/462671297.db2.gz DSABIOGZQGEBBA-MRXNPFEDSA-N 1 2 346.481 2.391 20 30 EEEDLO C=CCN(C)C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000154169109 462737437 /nfs/dbraw/zinc/73/74/37/462737437.db2.gz ZVFRYSGCPFLBCR-UHFFFAOYSA-N 1 2 331.397 2.140 20 30 EEEDLO CCn1nnc(C)c1C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000590714551 468315910 /nfs/dbraw/zinc/31/59/10/468315910.db2.gz FJJUDGWHGQAGTK-QGZVFWFLSA-N 1 2 342.422 2.128 20 30 EEEDLO N#Cc1ccc(OC2CN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)C2)cc1 ZINC000130695265 462771589 /nfs/dbraw/zinc/77/15/89/462771589.db2.gz OJMINDREXCBVID-UHFFFAOYSA-N 1 2 345.362 2.042 20 30 EEEDLO C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000047858929 462829425 /nfs/dbraw/zinc/82/94/25/462829425.db2.gz NSXXZCJQZHHDHQ-INIZCTEOSA-N 1 2 349.438 2.127 20 30 EEEDLO C#CC[N@@H+](CCCOc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066539244 462902399 /nfs/dbraw/zinc/90/23/99/462902399.db2.gz KDWUGHVURPSHNO-OAHLLOKOSA-N 1 2 341.860 2.231 20 30 EEEDLO C#CC[N@H+](CCCOc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066539244 462902403 /nfs/dbraw/zinc/90/24/03/462902403.db2.gz KDWUGHVURPSHNO-OAHLLOKOSA-N 1 2 341.860 2.231 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000066865151 462939194 /nfs/dbraw/zinc/93/91/94/462939194.db2.gz IJNXZGZUFJNMQK-UHFFFAOYSA-N 1 2 331.460 2.242 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(CC(N)=O)CC1 ZINC000077168486 462946014 /nfs/dbraw/zinc/94/60/14/462946014.db2.gz OJPJEXIJTGRLNM-UHFFFAOYSA-N 1 2 347.484 2.491 20 30 EEEDLO CC(C)(C)c1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)no1 ZINC000078547984 463126463 /nfs/dbraw/zinc/12/64/63/463126463.db2.gz RVNVONGXHITRNM-UHFFFAOYSA-N 1 2 349.435 2.052 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)N3CCCCCC3)CC2)s1 ZINC000121678194 463177118 /nfs/dbraw/zinc/17/71/18/463177118.db2.gz NIBVAOUUZSLAFP-UHFFFAOYSA-N 1 2 346.500 2.140 20 30 EEEDLO Cc1noc(C2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)n1 ZINC000053641428 463180491 /nfs/dbraw/zinc/18/04/91/463180491.db2.gz LFHKWLPNXCPPIY-UHFFFAOYSA-N 1 2 331.401 2.129 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000079949295 463264673 /nfs/dbraw/zinc/26/46/73/463264673.db2.gz NNHSAPQYXPXXQS-UHFFFAOYSA-N 1 2 343.427 2.049 20 30 EEEDLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055172593 463291056 /nfs/dbraw/zinc/29/10/56/463291056.db2.gz ZCLJGWZFRWPXRM-QGZVFWFLSA-N 1 2 342.487 2.227 20 30 EEEDLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055172593 463291061 /nfs/dbraw/zinc/29/10/61/463291061.db2.gz ZCLJGWZFRWPXRM-QGZVFWFLSA-N 1 2 342.487 2.227 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000097667942 463361096 /nfs/dbraw/zinc/36/10/96/463361096.db2.gz OWEDHOIGYAPBHR-VXGBXAGGSA-N 1 2 348.472 2.231 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000097667942 463361100 /nfs/dbraw/zinc/36/11/00/463361100.db2.gz OWEDHOIGYAPBHR-VXGBXAGGSA-N 1 2 348.472 2.231 20 30 EEEDLO C[C@H]([C@H](C)NC(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCOCC1 ZINC000104978719 463432344 /nfs/dbraw/zinc/43/23/44/463432344.db2.gz QBSCLHSETJIFTL-NWDGAFQWSA-N 1 2 336.823 2.442 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)Cc1[nH+]ccn1C ZINC000161972396 463473530 /nfs/dbraw/zinc/47/35/30/463473530.db2.gz ONGUTJCAUVTEES-OAHLLOKOSA-N 1 2 325.416 2.187 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000125771058 463576215 /nfs/dbraw/zinc/57/62/15/463576215.db2.gz RXMZDNAAVOAJEV-SJORKVTESA-N 1 2 332.400 2.131 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000125771058 463576219 /nfs/dbraw/zinc/57/62/19/463576219.db2.gz RXMZDNAAVOAJEV-SJORKVTESA-N 1 2 332.400 2.131 20 30 EEEDLO CC1CCN(c2ccc(CNS(=O)(=O)CC3(C#N)CC3)c[nH+]2)CC1 ZINC000164706475 463630874 /nfs/dbraw/zinc/63/08/74/463630874.db2.gz YIXMNOGOLJQNEL-UHFFFAOYSA-N 1 2 348.472 2.041 20 30 EEEDLO C[C@@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 ZINC000166507021 463655971 /nfs/dbraw/zinc/65/59/71/463655971.db2.gz VUSXODHJZDJRFL-ZDUSSCGKSA-N 1 2 339.486 2.060 20 30 EEEDLO COC(=O)c1coc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000171031955 463763817 /nfs/dbraw/zinc/76/38/17/463763817.db2.gz CFRNPQVLZSNYQI-UHFFFAOYSA-N 1 2 343.358 2.399 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185327278 463801864 /nfs/dbraw/zinc/80/18/64/463801864.db2.gz ACSIUPJGOWEZQE-RYUDHWBXSA-N 1 2 337.370 2.154 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185327278 463801869 /nfs/dbraw/zinc/80/18/69/463801869.db2.gz ACSIUPJGOWEZQE-RYUDHWBXSA-N 1 2 337.370 2.154 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000178239850 463867495 /nfs/dbraw/zinc/86/74/95/463867495.db2.gz KFIPYCMBCKWPSY-UONOGXRCSA-N 1 2 335.414 2.368 20 30 EEEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000590958844 468383648 /nfs/dbraw/zinc/38/36/48/468383648.db2.gz KZFBAFPRBZYPQS-GZBFAFLISA-N 1 2 329.400 2.457 20 30 EEEDLO COC[C@H](NCC#CC[NH2+][C@@H](COC)c1ccco1)c1ccco1 ZINC000283878968 464031713 /nfs/dbraw/zinc/03/17/13/464031713.db2.gz AOXXDGBYLLQSTQ-HOTGVXAUSA-N 1 2 332.400 2.130 20 30 EEEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)c1 ZINC000269745618 464078703 /nfs/dbraw/zinc/07/87/03/464078703.db2.gz NIRWHIQYKLEREX-AWEZNQCLSA-N 1 2 338.411 2.414 20 30 EEEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000279267877 464084054 /nfs/dbraw/zinc/08/40/54/464084054.db2.gz NAWIQYABKVFMLR-UHFFFAOYSA-N 1 2 333.457 2.008 20 30 EEEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000279267877 464084056 /nfs/dbraw/zinc/08/40/56/464084056.db2.gz NAWIQYABKVFMLR-UHFFFAOYSA-N 1 2 333.457 2.008 20 30 EEEDLO C[C@H](NC(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1ccc2c(c1)CCCC2 ZINC000284089351 464087460 /nfs/dbraw/zinc/08/74/60/464087460.db2.gz KVHUCZARXXPGLF-SUMWQHHRSA-N 1 2 345.443 2.210 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000279348909 464090875 /nfs/dbraw/zinc/09/08/75/464090875.db2.gz CKMGYEBOYLVCBY-SJLPKXTDSA-N 1 2 344.459 2.394 20 30 EEEDLO CC(C)[C@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000290547145 464123433 /nfs/dbraw/zinc/12/34/33/464123433.db2.gz PYYJQQDUTDSWJS-KRWDZBQOSA-N 1 2 331.420 2.150 20 30 EEEDLO COc1cc(C[NH+]2CCN(CCC#N)CC2)ccc1OC(F)F ZINC000591020652 468394235 /nfs/dbraw/zinc/39/42/35/468394235.db2.gz WJGSIZMKRKZDLT-UHFFFAOYSA-N 1 2 325.359 2.328 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(C(=O)OC)oc2CC)n1 ZINC000279749250 464141126 /nfs/dbraw/zinc/14/11/26/464141126.db2.gz PZOPKQYKWWMXRM-UHFFFAOYSA-N 1 2 329.400 2.480 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(C(=O)OC)oc2CC)n1 ZINC000279749250 464141132 /nfs/dbraw/zinc/14/11/32/464141132.db2.gz PZOPKQYKWWMXRM-UHFFFAOYSA-N 1 2 329.400 2.480 20 30 EEEDLO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cccc2[nH]nnc21)C(C)C ZINC000187933371 464174307 /nfs/dbraw/zinc/17/43/07/464174307.db2.gz XTFZLQKDDRHLCX-MRXNPFEDSA-N 1 2 327.432 2.386 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263773050 464184616 /nfs/dbraw/zinc/18/46/16/464184616.db2.gz XABMIXHHGQZUSE-MJGOQNOKSA-N 1 2 329.444 2.287 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263773050 464184620 /nfs/dbraw/zinc/18/46/20/464184620.db2.gz XABMIXHHGQZUSE-MJGOQNOKSA-N 1 2 329.444 2.287 20 30 EEEDLO N#Cc1cnc(NCc2ccc[nH+]c2N2CCOCC2)c(Cl)c1 ZINC000263822315 464205665 /nfs/dbraw/zinc/20/56/65/464205665.db2.gz YKQWLXFSKBOQOI-UHFFFAOYSA-N 1 2 329.791 2.450 20 30 EEEDLO C=CCCOCCNC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000270505890 464258977 /nfs/dbraw/zinc/25/89/77/464258977.db2.gz QXYWUYVRJFMUGF-UHFFFAOYSA-N 1 2 334.342 2.180 20 30 EEEDLO Cc1cccn2cc(CNS(=O)(=O)c3ccc(C#N)cc3C)[nH+]c12 ZINC000180249471 464272741 /nfs/dbraw/zinc/27/27/41/464272741.db2.gz HTQLWOLBWLCDOI-UHFFFAOYSA-N 1 2 340.408 2.301 20 30 EEEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000271071984 464277522 /nfs/dbraw/zinc/27/75/22/464277522.db2.gz NUCLQHXCRPMPPH-UHFFFAOYSA-N 1 2 335.407 2.052 20 30 EEEDLO C#Cc1cccc(NC(=O)CNc2nc(N(C)C)nc(C(C)C)[nH+]2)c1 ZINC000271191402 464287853 /nfs/dbraw/zinc/28/78/53/464287853.db2.gz OMCUHWZZEGMHSO-UHFFFAOYSA-N 1 2 338.415 2.093 20 30 EEEDLO C#Cc1cccc(NC(=O)CNc2nc(C(C)C)[nH+]c(N(C)C)n2)c1 ZINC000271191402 464287855 /nfs/dbraw/zinc/28/78/55/464287855.db2.gz OMCUHWZZEGMHSO-UHFFFAOYSA-N 1 2 338.415 2.093 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccco3)CC2)cc1 ZINC000188578756 464315981 /nfs/dbraw/zinc/31/59/81/464315981.db2.gz BCAISYKAEFUPDW-UHFFFAOYSA-N 1 2 345.424 2.048 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccco3)CC2)cc1 ZINC000188578756 464315988 /nfs/dbraw/zinc/31/59/88/464315988.db2.gz BCAISYKAEFUPDW-UHFFFAOYSA-N 1 2 345.424 2.048 20 30 EEEDLO C=CCOc1cccc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000284790992 464342241 /nfs/dbraw/zinc/34/22/41/464342241.db2.gz LLFPEUNTAMBEKI-IRXDYDNUSA-N 1 2 331.416 2.188 20 30 EEEDLO C=CCOc1cccc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000284790992 464342247 /nfs/dbraw/zinc/34/22/47/464342247.db2.gz LLFPEUNTAMBEKI-IRXDYDNUSA-N 1 2 331.416 2.188 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(SC)cc2)C1=O ZINC000281201876 464368136 /nfs/dbraw/zinc/36/81/36/464368136.db2.gz CLQIRJJVAMNZGG-CJNGLKHVSA-N 1 2 347.484 2.454 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(SC)cc2)C1=O ZINC000281201876 464368140 /nfs/dbraw/zinc/36/81/40/464368140.db2.gz CLQIRJJVAMNZGG-CJNGLKHVSA-N 1 2 347.484 2.454 20 30 EEEDLO [O-]C(=[NH+]C[C@H]1CCc2[nH+]ccn2C1)N1CCC(OCC2CC2)CC1 ZINC000329891457 465464474 /nfs/dbraw/zinc/46/44/74/465464474.db2.gz HWYKREVLQWMTSH-OAHLLOKOSA-N 1 2 332.448 2.251 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000284929774 464397579 /nfs/dbraw/zinc/39/75/79/464397579.db2.gz YFGDZZGFSFFUAB-UYAOXDASSA-N 1 2 341.499 2.434 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000284929774 464397585 /nfs/dbraw/zinc/39/75/85/464397585.db2.gz YFGDZZGFSFFUAB-UYAOXDASSA-N 1 2 341.499 2.434 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1=O ZINC000281525623 464491287 /nfs/dbraw/zinc/49/12/87/464491287.db2.gz ZSJZXBWTPBMLLW-MPGHIAIKSA-N 1 2 341.455 2.071 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1=O ZINC000281525623 464491291 /nfs/dbraw/zinc/49/12/91/464491291.db2.gz ZSJZXBWTPBMLLW-MPGHIAIKSA-N 1 2 341.455 2.071 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545932592 468406192 /nfs/dbraw/zinc/40/61/92/468406192.db2.gz RXEDZGLVKXSIOC-LSDHHAIUSA-N 1 2 349.397 2.066 20 30 EEEDLO CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@H](O)C(F)(F)F ZINC000189505074 464521396 /nfs/dbraw/zinc/52/13/96/464521396.db2.gz MQELYOCEJQHCSY-AWEZNQCLSA-N 1 2 343.349 2.178 20 30 EEEDLO CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@H](O)C(F)(F)F ZINC000189505074 464521403 /nfs/dbraw/zinc/52/14/03/464521403.db2.gz MQELYOCEJQHCSY-AWEZNQCLSA-N 1 2 343.349 2.178 20 30 EEEDLO CCOc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)c(C)c1 ZINC000596983025 468406744 /nfs/dbraw/zinc/40/67/44/468406744.db2.gz COYUCRSLVSGEBQ-UHFFFAOYSA-N 1 2 331.460 2.442 20 30 EEEDLO CCOc1ccc(C[N@H+](CCC#N)CCN2CCOCC2)c(C)c1 ZINC000596983025 468406752 /nfs/dbraw/zinc/40/67/52/468406752.db2.gz COYUCRSLVSGEBQ-UHFFFAOYSA-N 1 2 331.460 2.442 20 30 EEEDLO CCOc1ccc(C[N@@H+](CCC#N)CCN2CCOCC2)c(C)c1 ZINC000596983025 468406760 /nfs/dbraw/zinc/40/67/60/468406760.db2.gz COYUCRSLVSGEBQ-UHFFFAOYSA-N 1 2 331.460 2.442 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175398246 464540061 /nfs/dbraw/zinc/54/00/61/464540061.db2.gz VXFOGXXRHNJLJC-FATZIPQQSA-N 1 2 335.473 2.179 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175398246 464540065 /nfs/dbraw/zinc/54/00/65/464540065.db2.gz VXFOGXXRHNJLJC-FATZIPQQSA-N 1 2 335.473 2.179 20 30 EEEDLO C=CC[N@H+](CCc1ccco1)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000272297416 464553571 /nfs/dbraw/zinc/55/35/71/464553571.db2.gz PAXFXSRPCMXMLB-UHFFFAOYSA-N 1 2 339.395 2.295 20 30 EEEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000272297416 464553577 /nfs/dbraw/zinc/55/35/77/464553577.db2.gz PAXFXSRPCMXMLB-UHFFFAOYSA-N 1 2 339.395 2.295 20 30 EEEDLO CC(C)(C)[C@@](C)(C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000272459357 464620011 /nfs/dbraw/zinc/62/00/11/464620011.db2.gz YABLFFJPXSKBRE-QFBILLFUSA-N 1 2 329.444 2.332 20 30 EEEDLO CC(C)(C)[C@@](C)(C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000272459357 464620015 /nfs/dbraw/zinc/62/00/15/464620015.db2.gz YABLFFJPXSKBRE-QFBILLFUSA-N 1 2 329.444 2.332 20 30 EEEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(C)(C#N)CC1 ZINC000272644153 464683291 /nfs/dbraw/zinc/68/32/91/464683291.db2.gz YBJMQCIEGPVGHT-CYBMUJFWSA-N 1 2 329.400 2.410 20 30 EEEDLO CC1(C#N)CC[NH+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000272644189 464683549 /nfs/dbraw/zinc/68/35/49/464683549.db2.gz YCRMLQNUJHIJIB-KRWDZBQOSA-N 1 2 340.471 2.255 20 30 EEEDLO CC#CCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273287162 464711216 /nfs/dbraw/zinc/71/12/16/464711216.db2.gz MBDPIONWEPAYRD-UHFFFAOYSA-N 1 2 349.232 2.270 20 30 EEEDLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C2CC2)o1 ZINC000248637809 464776112 /nfs/dbraw/zinc/77/61/12/464776112.db2.gz WQSRLOUTKUHXLP-MAUKXSAKSA-N 1 2 331.416 2.371 20 30 EEEDLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)o1 ZINC000248637809 464776120 /nfs/dbraw/zinc/77/61/20/464776120.db2.gz WQSRLOUTKUHXLP-MAUKXSAKSA-N 1 2 331.416 2.371 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249537778 464886858 /nfs/dbraw/zinc/88/68/58/464886858.db2.gz CYLOVZWXAJCBTA-UHIISALHSA-N 1 2 333.457 2.138 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249537778 464886860 /nfs/dbraw/zinc/88/68/60/464886860.db2.gz CYLOVZWXAJCBTA-UHIISALHSA-N 1 2 333.457 2.138 20 30 EEEDLO O=C([C@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1)N1CCOCC1 ZINC000177109358 464932432 /nfs/dbraw/zinc/93/24/32/464932432.db2.gz UIUALYOEXSAEBL-GOSISDBHSA-N 1 2 346.858 2.405 20 30 EEEDLO O=C([C@H]1CCCC[N@@H+]1CC#Cc1ccc(Cl)cc1)N1CCOCC1 ZINC000177109358 464932438 /nfs/dbraw/zinc/93/24/38/464932438.db2.gz UIUALYOEXSAEBL-GOSISDBHSA-N 1 2 346.858 2.405 20 30 EEEDLO CCC(=O)N[C@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000329460524 465341655 /nfs/dbraw/zinc/34/16/55/465341655.db2.gz SDNORJRSJZVWCH-ZDUSSCGKSA-N 1 2 327.388 2.238 20 30 EEEDLO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329472137 465345335 /nfs/dbraw/zinc/34/53/35/465345335.db2.gz ZJZNHNOOWIOUPM-LSDHHAIUSA-N 1 2 333.432 2.078 20 30 EEEDLO CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329472137 465345341 /nfs/dbraw/zinc/34/53/41/465345341.db2.gz ZJZNHNOOWIOUPM-LSDHHAIUSA-N 1 2 333.432 2.078 20 30 EEEDLO CN(C)c1noc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)n1 ZINC000356443519 465383390 /nfs/dbraw/zinc/38/33/90/465383390.db2.gz WOQWSFCQNKJELR-UHFFFAOYSA-N 1 2 325.294 2.316 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NC[C@@H]1CCC[C@H]1O)C2 ZINC000329680396 465405640 /nfs/dbraw/zinc/40/56/40/465405640.db2.gz WJHPGNBHATYZJD-MELADBBJSA-N 1 2 334.464 2.160 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+]C[C@@H]1CCC[C@H]1O)C2 ZINC000329680396 465405641 /nfs/dbraw/zinc/40/56/41/465405641.db2.gz WJHPGNBHATYZJD-MELADBBJSA-N 1 2 334.464 2.160 20 30 EEEDLO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CCC(F)(C#N)CC1 ZINC000352483998 465532928 /nfs/dbraw/zinc/53/29/28/465532928.db2.gz KGDVBJHCHHFBQW-HIFRSBDPSA-N 1 2 331.391 2.343 20 30 EEEDLO CC(C)N(C)c1cnn([C@@H]2CCC[N@H+](CC3(C#N)CC3)C2)c(=O)c1 ZINC000330186820 465561972 /nfs/dbraw/zinc/56/19/72/465561972.db2.gz SKNGOYRFEZXTNA-OAHLLOKOSA-N 1 2 329.448 2.029 20 30 EEEDLO CC(C)N(C)c1cnn([C@@H]2CCC[N@@H+](CC3(C#N)CC3)C2)c(=O)c1 ZINC000330186820 465561977 /nfs/dbraw/zinc/56/19/77/465561977.db2.gz SKNGOYRFEZXTNA-OAHLLOKOSA-N 1 2 329.448 2.029 20 30 EEEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)CC1(C#N)CCCC1)CCC2 ZINC000352878697 465563122 /nfs/dbraw/zinc/56/31/22/465563122.db2.gz DXLQEWMMFYNIMU-CQSZACIVSA-N 1 2 336.461 2.072 20 30 EEEDLO Cc1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1OC(C)C ZINC000330194856 465564692 /nfs/dbraw/zinc/56/46/92/465564692.db2.gz OXZNMAWSXLULTK-NVXWUHKLSA-N 1 2 333.432 2.343 20 30 EEEDLO Cc1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1OC(C)C ZINC000330194856 465564696 /nfs/dbraw/zinc/56/46/96/465564696.db2.gz OXZNMAWSXLULTK-NVXWUHKLSA-N 1 2 333.432 2.343 20 30 EEEDLO O=C(N[C@@H]1CCOC2(CCOCC2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330234088 465580741 /nfs/dbraw/zinc/58/07/41/465580741.db2.gz SKXZZQCDRGQETQ-LSDHHAIUSA-N 1 2 348.447 2.231 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](Nc1nccc(C#N)c1Cl)C1CCOCC1 ZINC000344087715 465582944 /nfs/dbraw/zinc/58/29/44/465582944.db2.gz RLSCHUVYHZLPGW-AWEZNQCLSA-N 1 2 331.807 2.920 20 30 EEEDLO Cc1[nH+]c2cc(CNS(=O)(=O)CCCC#N)ccc2n1C1CC1 ZINC000340051289 465723119 /nfs/dbraw/zinc/72/31/19/465723119.db2.gz HBZTWAQLWJKQBI-UHFFFAOYSA-N 1 2 332.429 2.403 20 30 EEEDLO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299591280 465816681 /nfs/dbraw/zinc/81/66/81/465816681.db2.gz IDNUXPXCXCBWGS-UHFFFAOYSA-N 1 2 341.415 2.451 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000345780379 465903098 /nfs/dbraw/zinc/90/30/98/465903098.db2.gz IFHROGCVMIDISO-AWEZNQCLSA-N 1 2 346.862 2.413 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(OCC(F)(F)F)c1 ZINC000569232057 468460516 /nfs/dbraw/zinc/46/05/16/468460516.db2.gz HCIBCRYXSZKOEC-ZDUSSCGKSA-N 1 2 331.338 2.246 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(OCC(F)(F)F)c1 ZINC000569232057 468460517 /nfs/dbraw/zinc/46/05/17/468460517.db2.gz HCIBCRYXSZKOEC-ZDUSSCGKSA-N 1 2 331.338 2.246 20 30 EEEDLO COCC[NH+]1CCN(C(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000340287523 465955404 /nfs/dbraw/zinc/95/54/04/465955404.db2.gz SKPPQOWUJYKTHC-UHFFFAOYSA-N 1 2 343.452 2.486 20 30 EEEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3ncc[nH]3)CC2)cc1OC ZINC000353900984 466244327 /nfs/dbraw/zinc/24/43/27/466244327.db2.gz OWMASMOXBHVVRK-UHFFFAOYSA-N 1 2 342.443 2.301 20 30 EEEDLO COc1cc(C[N@H+](C)CC(C)(C)C#N)cc(Cl)c1OCC(N)=O ZINC000354016799 466329229 /nfs/dbraw/zinc/32/92/29/466329229.db2.gz CYFYIBNNBOHFIO-UHFFFAOYSA-N 1 2 339.823 2.194 20 30 EEEDLO COc1cc(C[N@@H+](C)CC(C)(C)C#N)cc(Cl)c1OCC(N)=O ZINC000354016799 466329236 /nfs/dbraw/zinc/32/92/36/466329236.db2.gz CYFYIBNNBOHFIO-UHFFFAOYSA-N 1 2 339.823 2.194 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2C[C@@H](OC)C[C@H]2C(=O)OC)cc1OC ZINC000372399181 466352994 /nfs/dbraw/zinc/35/29/94/466352994.db2.gz DAKSFTIWOPRSRC-GJZGRUSLSA-N 1 2 335.400 2.022 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2C[C@@H](OC)C[C@H]2C(=O)OC)cc1OC ZINC000372399181 466352996 /nfs/dbraw/zinc/35/29/96/466352996.db2.gz DAKSFTIWOPRSRC-GJZGRUSLSA-N 1 2 335.400 2.022 20 30 EEEDLO C=CC1CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000332077324 466374987 /nfs/dbraw/zinc/37/49/87/466374987.db2.gz GUNSIWBPMUANON-UHFFFAOYSA-N 1 2 330.432 2.026 20 30 EEEDLO Cc1c(C#N)cccc1C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000347399322 466612024 /nfs/dbraw/zinc/61/20/24/466612024.db2.gz ZEIXCIZODLZQBC-QGZVFWFLSA-N 1 2 338.411 2.498 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2ccc(OCC#N)cc2)C1 ZINC000369368237 466729409 /nfs/dbraw/zinc/72/94/09/466729409.db2.gz GBGKSMIJNNBFAL-MRXNPFEDSA-N 1 2 338.411 2.271 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)CCCCC1 ZINC000374857323 466758225 /nfs/dbraw/zinc/75/82/25/466758225.db2.gz NPCBEAYUSMXTAK-IBGZPJMESA-N 1 2 345.418 2.062 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)CCCCC1 ZINC000374857323 466758229 /nfs/dbraw/zinc/75/82/29/466758229.db2.gz NPCBEAYUSMXTAK-IBGZPJMESA-N 1 2 345.418 2.062 20 30 EEEDLO CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376597257 466920917 /nfs/dbraw/zinc/92/09/17/466920917.db2.gz ZHYPUUHONVLPDQ-MRXNPFEDSA-N 1 2 328.460 2.490 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000377288386 467051802 /nfs/dbraw/zinc/05/18/02/467051802.db2.gz PKCVICWCBBNJMR-JYJNAYRXSA-N 1 2 332.448 2.349 20 30 EEEDLO C[C@@H](O)[C@@H]1CCN(c2cc(N(C)Cc3cccc(C#N)c3)nc[nH+]2)C1 ZINC000413045124 467159886 /nfs/dbraw/zinc/15/98/86/467159886.db2.gz FASFQDXNUSHTMB-RHSMWYFYSA-N 1 2 337.427 2.192 20 30 EEEDLO C[C@@H](O)[C@@H]1CCN(c2cc(N(C)Cc3cccc(C#N)c3)[nH+]cn2)C1 ZINC000413045124 467159888 /nfs/dbraw/zinc/15/98/88/467159888.db2.gz FASFQDXNUSHTMB-RHSMWYFYSA-N 1 2 337.427 2.192 20 30 EEEDLO COc1ccc(CCNC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N)cc1OC ZINC000433316283 467317740 /nfs/dbraw/zinc/31/77/40/467317740.db2.gz HYCQKLRUEOBSFD-AWEZNQCLSA-N 1 2 347.459 2.233 20 30 EEEDLO COc1ccc(CCNC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N)cc1OC ZINC000433316283 467317743 /nfs/dbraw/zinc/31/77/43/467317743.db2.gz HYCQKLRUEOBSFD-AWEZNQCLSA-N 1 2 347.459 2.233 20 30 EEEDLO CC(C)([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cc(C(F)(F)F)on1 ZINC000429269794 467319232 /nfs/dbraw/zinc/31/92/32/467319232.db2.gz HBYBKDHRTWPKLL-AWEZNQCLSA-N 1 2 344.337 2.327 20 30 EEEDLO C=CCCCNC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000441128960 467571639 /nfs/dbraw/zinc/57/16/39/467571639.db2.gz FMNGHNJCSBMZFP-QGZVFWFLSA-N 1 2 325.453 2.058 20 30 EEEDLO C[C@@H]1C[N@H+](CCNc2c(C#N)cnc3ccc(Cl)cc32)CCO1 ZINC000525706520 467644074 /nfs/dbraw/zinc/64/40/74/467644074.db2.gz ADCPYZPMZAXFDW-GFCCVEGCSA-N 1 2 330.819 2.314 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNc2c(C#N)cnc3ccc(Cl)cc32)CCO1 ZINC000525706520 467644078 /nfs/dbraw/zinc/64/40/78/467644078.db2.gz ADCPYZPMZAXFDW-GFCCVEGCSA-N 1 2 330.819 2.314 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000457586283 467657006 /nfs/dbraw/zinc/65/70/06/467657006.db2.gz TVGLGTWORPQVMR-JKSUJKDBSA-N 1 2 346.406 2.275 20 30 EEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000528430119 467683834 /nfs/dbraw/zinc/68/38/34/467683834.db2.gz WLSGWMLWDHCXAG-UHFFFAOYSA-N 1 2 348.324 2.480 20 30 EEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000528430119 467683839 /nfs/dbraw/zinc/68/38/39/467683839.db2.gz WLSGWMLWDHCXAG-UHFFFAOYSA-N 1 2 348.324 2.480 20 30 EEEDLO CNc1nc(N2CC[C@@H](Oc3ccc(C#N)cn3)C2)[nH+]c2ccccc21 ZINC000450539762 467866959 /nfs/dbraw/zinc/86/69/59/467866959.db2.gz MEBCZZXQMCWVIA-CQSZACIVSA-N 1 2 346.394 2.596 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000514661563 467946594 /nfs/dbraw/zinc/94/65/94/467946594.db2.gz KKEFXPIXTZIWIL-UHFFFAOYSA-N 1 2 328.334 2.199 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000514661563 467946596 /nfs/dbraw/zinc/94/65/96/467946596.db2.gz KKEFXPIXTZIWIL-UHFFFAOYSA-N 1 2 328.334 2.199 20 30 EEEDLO CC(C)[C@H](C(=O)Nc1cc(CC#N)ccn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000531670354 468068524 /nfs/dbraw/zinc/06/85/24/468068524.db2.gz HWIKHBAZUUPBIL-JKIFEVAISA-N 1 2 330.432 2.220 20 30 EEEDLO CC(C)[C@H](C(=O)Nc1cc(CC#N)ccn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000531670354 468068526 /nfs/dbraw/zinc/06/85/26/468068526.db2.gz HWIKHBAZUUPBIL-JKIFEVAISA-N 1 2 330.432 2.220 20 30 EEEDLO CCc1nc(CN2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)no1 ZINC000488162244 468074585 /nfs/dbraw/zinc/07/45/85/468074585.db2.gz WHVRPGNNEZKCGT-UHFFFAOYSA-N 1 2 325.416 2.130 20 30 EEEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cccc(C#N)n1 ZINC000589428174 468149307 /nfs/dbraw/zinc/14/93/07/468149307.db2.gz QTBHCZSZXRHBHW-UHFFFAOYSA-N 1 2 336.395 2.346 20 30 EEEDLO C#CC[NH+]1CCN(Cn2nc(CCc3ccccc3)oc2=S)CC1 ZINC000490695306 468236546 /nfs/dbraw/zinc/23/65/46/468236546.db2.gz DFBUJDUUGLOMNG-UHFFFAOYSA-N 1 2 342.468 2.199 20 30 EEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000520594528 468261906 /nfs/dbraw/zinc/26/19/06/468261906.db2.gz MHTJLTDJHYAMBK-UHFFFAOYSA-N 1 2 328.420 2.121 20 30 EEEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148467 468638111 /nfs/dbraw/zinc/63/81/11/468638111.db2.gz YSVJWJOQFDOMGB-LIRRHRJNSA-N 1 2 329.444 2.489 20 30 EEEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148467 468638118 /nfs/dbraw/zinc/63/81/18/468638118.db2.gz YSVJWJOQFDOMGB-LIRRHRJNSA-N 1 2 329.444 2.489 20 30 EEEDLO CCN(CC)C(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000600830093 468667918 /nfs/dbraw/zinc/66/79/18/468667918.db2.gz OLWIPIRXMYAOLU-YJBOKZPZSA-N 1 2 346.450 2.265 20 30 EEEDLO Cc1sc(NC(=O)C[N@H+]2CCCc3c(cnn3C)C2)c(C#N)c1C ZINC000570683689 468677636 /nfs/dbraw/zinc/67/76/36/468677636.db2.gz FVNPHKOVJZBKOG-UHFFFAOYSA-N 1 2 343.456 2.357 20 30 EEEDLO Cc1sc(NC(=O)C[N@@H+]2CCCc3c(cnn3C)C2)c(C#N)c1C ZINC000570683689 468677641 /nfs/dbraw/zinc/67/76/41/468677641.db2.gz FVNPHKOVJZBKOG-UHFFFAOYSA-N 1 2 343.456 2.357 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](Cc3cnc4ccccc4n3)CC2)c1 ZINC000595291026 468802468 /nfs/dbraw/zinc/80/24/68/468802468.db2.gz PPGYOOCCAHOYRJ-UHFFFAOYSA-N 1 2 330.395 2.219 20 30 EEEDLO CC(=O)c1ccc(OCCCC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000571590241 468809389 /nfs/dbraw/zinc/80/93/89/468809389.db2.gz NPCMKHBTDYKABU-GOSISDBHSA-N 1 2 331.416 2.008 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000584513524 468887459 /nfs/dbraw/zinc/88/74/59/468887459.db2.gz HCWZKEBRZFJZGT-CABCVRRESA-N 1 2 331.441 2.336 20 30 EEEDLO N#CCC[C@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000595565643 468904444 /nfs/dbraw/zinc/90/44/44/468904444.db2.gz CDJJOIPVVBVPGX-ROUUACIJSA-N 1 2 342.443 2.148 20 30 EEEDLO Cn1cc[nH+]c1[C@H](CC(=O)NC1(C#N)CCSCC1)C(F)(F)F ZINC000572255139 468908941 /nfs/dbraw/zinc/90/89/41/468908941.db2.gz CNEAWDXFAYDICX-JTQLQIEISA-N 1 2 346.378 2.362 20 30 EEEDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598624854 468938097 /nfs/dbraw/zinc/93/80/97/468938097.db2.gz IZTQUJODZRDCTN-GOEBONIOSA-N 1 2 334.416 2.142 20 30 EEEDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598624854 468938102 /nfs/dbraw/zinc/93/81/02/468938102.db2.gz IZTQUJODZRDCTN-GOEBONIOSA-N 1 2 334.416 2.142 20 30 EEEDLO CCc1oc(C(=O)OC)cc1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000610542923 468998438 /nfs/dbraw/zinc/99/84/38/468998438.db2.gz KIWMFSLISKCZMY-OAHLLOKOSA-N 1 2 333.432 2.294 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602695732 469017388 /nfs/dbraw/zinc/01/73/88/469017388.db2.gz HGDCYHHEVNMQAM-ZDUSSCGKSA-N 1 2 329.278 2.464 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602695732 469017393 /nfs/dbraw/zinc/01/73/93/469017393.db2.gz HGDCYHHEVNMQAM-ZDUSSCGKSA-N 1 2 329.278 2.464 20 30 EEEDLO CC[C@H]([NH2+]CC(=O)N(CC)C[C@@H](C)C#N)c1nnc2n1CCCCC2 ZINC000595798974 469017748 /nfs/dbraw/zinc/01/77/48/469017748.db2.gz BEBOWJDWESMMRH-GJZGRUSLSA-N 1 2 346.479 2.053 20 30 EEEDLO CC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1nnc2n1CCCCC2 ZINC000595806226 469021193 /nfs/dbraw/zinc/02/11/93/469021193.db2.gz FQEOKQTYHODSMR-KBXCAEBGSA-N 1 2 346.479 2.100 20 30 EEEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000585729044 469021918 /nfs/dbraw/zinc/02/19/18/469021918.db2.gz HSGRWOGJIOYDLZ-VIFPVBQESA-N 1 2 343.168 2.121 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)cc1F ZINC000610681890 469036969 /nfs/dbraw/zinc/03/69/69/469036969.db2.gz RKNIWKJWTSEIQO-QGZVFWFLSA-N 1 2 333.407 2.278 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000614924904 469096029 /nfs/dbraw/zinc/09/60/29/469096029.db2.gz OWWKZLFEDOFJPI-JSGCOSHPSA-N 1 2 335.370 2.038 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000614924904 469096033 /nfs/dbraw/zinc/09/60/33/469096033.db2.gz OWWKZLFEDOFJPI-JSGCOSHPSA-N 1 2 335.370 2.038 20 30 EEEDLO COc1cc(OC)c2ncc(C#N)c(-n3c[nH+]c(CCCO)c3)c2c1 ZINC000587972509 469097696 /nfs/dbraw/zinc/09/76/96/469097696.db2.gz OSWMKDGLBOCZCO-UHFFFAOYSA-N 1 2 338.367 2.234 20 30 EEEDLO N#Cc1nc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)sc1Cl ZINC000596163150 469181426 /nfs/dbraw/zinc/18/14/26/469181426.db2.gz SQQQXJARWIRYIO-CMPLNLGQSA-N 1 2 326.853 2.723 20 30 EEEDLO CCC[C@@H](NC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccccc1 ZINC000611174780 469182036 /nfs/dbraw/zinc/18/20/36/469182036.db2.gz QIZOXONPVFXXLM-GOSISDBHSA-N 1 2 328.460 2.175 20 30 EEEDLO N#Cc1cc(F)cc(NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)c1 ZINC000603067685 469249040 /nfs/dbraw/zinc/24/90/40/469249040.db2.gz XTSMQUXADKMCEE-UHFFFAOYSA-N 1 2 346.406 2.273 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(OCC(F)(F)F)c1 ZINC000574330877 469272170 /nfs/dbraw/zinc/27/21/70/469272170.db2.gz ZEWPNMJNRYBHER-AWEZNQCLSA-N 1 2 329.322 2.201 20 30 EEEDLO CC(C)(C[N@H+](CCC#N)CCN1CCOCC1)Oc1ccccc1 ZINC000602424971 469310962 /nfs/dbraw/zinc/31/09/62/469310962.db2.gz NRRJNDDWKCXMSJ-UHFFFAOYSA-N 1 2 331.460 2.392 20 30 EEEDLO CC(C)(C[N@@H+](CCC#N)CCN1CCOCC1)Oc1ccccc1 ZINC000602424971 469310963 /nfs/dbraw/zinc/31/09/63/469310963.db2.gz NRRJNDDWKCXMSJ-UHFFFAOYSA-N 1 2 331.460 2.392 20 30 EEEDLO CC(C)(CN(CCC#N)CC[NH+]1CCOCC1)Oc1ccccc1 ZINC000602424971 469310966 /nfs/dbraw/zinc/31/09/66/469310966.db2.gz NRRJNDDWKCXMSJ-UHFFFAOYSA-N 1 2 331.460 2.392 20 30 EEEDLO N#Cc1cc(F)ccc1-c1ccc(OCC[N@@H+]2CCNC(=O)C2)cc1 ZINC000596637472 469317612 /nfs/dbraw/zinc/31/76/12/469317612.db2.gz WSWHSAJIZYWGFT-UHFFFAOYSA-N 1 2 339.370 2.175 20 30 EEEDLO N#Cc1cc(F)ccc1-c1ccc(OCC[N@H+]2CCNC(=O)C2)cc1 ZINC000596637472 469317617 /nfs/dbraw/zinc/31/76/17/469317617.db2.gz WSWHSAJIZYWGFT-UHFFFAOYSA-N 1 2 339.370 2.175 20 30 EEEDLO Cc1cc([NH2+][C@@H](C)CC2(C#N)CCOCC2)ccc1-n1cnnn1 ZINC000602492969 469338880 /nfs/dbraw/zinc/33/88/80/469338880.db2.gz UXHNDBLYYYXGMI-AWEZNQCLSA-N 1 2 326.404 2.482 20 30 EEEDLO C[C@@]1(C#N)CCCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000612154672 469406245 /nfs/dbraw/zinc/40/62/45/469406245.db2.gz AEMNJLTUDPBKON-SFHVURJKSA-N 1 2 346.500 2.018 20 30 EEEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000618754434 469438635 /nfs/dbraw/zinc/43/86/35/469438635.db2.gz SCCRRHOYQSYWKY-QGZVFWFLSA-N 1 2 325.391 2.185 20 30 EEEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000618754433 469438741 /nfs/dbraw/zinc/43/87/41/469438741.db2.gz SCCRRHOYQSYWKY-KRWDZBQOSA-N 1 2 325.391 2.185 20 30 EEEDLO N#Cc1c(F)cccc1N1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000604460573 469480798 /nfs/dbraw/zinc/48/07/98/469480798.db2.gz XBVWPRQOOVRYKX-UHFFFAOYSA-N 1 2 341.390 2.023 20 30 EEEDLO N#CC1(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)CCCCC1 ZINC000619872625 469693512 /nfs/dbraw/zinc/69/35/12/469693512.db2.gz CTMVLYYPKKNXIY-UHFFFAOYSA-N 1 2 331.420 2.146 20 30 EEEDLO CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000609457069 469929262 /nfs/dbraw/zinc/92/92/62/469929262.db2.gz IOPPGTKBBMSSSV-SFHVURJKSA-N 1 2 337.427 2.178 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3ncc(C)o3)C2)CCOCC1 ZINC000644681006 471012260 /nfs/dbraw/zinc/01/22/60/471012260.db2.gz ZNAVTYCGKQAPEC-INIZCTEOSA-N 1 2 347.459 2.389 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncc(C)o3)C2)CCOCC1 ZINC000644681006 471012264 /nfs/dbraw/zinc/01/22/64/471012264.db2.gz ZNAVTYCGKQAPEC-INIZCTEOSA-N 1 2 347.459 2.389 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N[C@H](C)c2ccccc2C)nn1 ZINC000640910805 471113931 /nfs/dbraw/zinc/11/39/31/471113931.db2.gz BBKWBWYHRXDKLI-HZPDHXFCSA-N 1 2 339.443 2.138 20 30 EEEDLO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1n[nH]c(=O)o1 ZINC000660846879 471515880 /nfs/dbraw/zinc/51/58/80/471515880.db2.gz KRMWUNLIYQXDLX-UHFFFAOYSA-N 1 2 327.262 2.157 20 30 EEEDLO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1n[nH]c(=O)o1 ZINC000660846879 471515884 /nfs/dbraw/zinc/51/58/84/471515884.db2.gz KRMWUNLIYQXDLX-UHFFFAOYSA-N 1 2 327.262 2.157 20 30 EEEDLO C=CCCCCCNC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000656060302 471579735 /nfs/dbraw/zinc/57/97/35/471579735.db2.gz TZHBNJQWLIYSGF-UHFFFAOYSA-N 1 2 349.500 2.255 20 30 EEEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[NH+](CC)CC1 ZINC000673730441 485512367 /nfs/dbraw/zinc/51/23/67/485512367.db2.gz ASMLEGLQFVDORD-UHFFFAOYSA-N 1 2 340.427 2.215 20 30 EEEDLO C=CCNC(=O)c1ccc(NC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000048159391 518936676 /nfs/dbraw/zinc/93/66/76/518936676.db2.gz JZLJUUBKCGECRA-UHFFFAOYSA-N 1 2 339.399 2.231 20 30 EEEDLO C=CC1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000111796761 526965253 /nfs/dbraw/zinc/96/52/53/526965253.db2.gz XYDGKUVXUOHHQX-LJQANCHMSA-N 1 2 343.471 2.495 20 30 EEEDLO C=CC1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000111796761 526965260 /nfs/dbraw/zinc/96/52/60/526965260.db2.gz XYDGKUVXUOHHQX-LJQANCHMSA-N 1 2 343.471 2.495 20 30 EEEDLO C=CC[C@@H](C)NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000116938555 527024981 /nfs/dbraw/zinc/02/49/81/527024981.db2.gz CNKWKMXCLVXSNQ-OAHLLOKOSA-N 1 2 344.459 2.353 20 30 EEEDLO C=CC[C@H](C)NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000116938553 527129289 /nfs/dbraw/zinc/12/92/89/527129289.db2.gz CNKWKMXCLVXSNQ-HNNXBMFYSA-N 1 2 344.459 2.353 20 30 EEEDLO C#CCSCCNC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000153744601 527143439 /nfs/dbraw/zinc/14/34/39/527143439.db2.gz LCPDPTPPLULWMX-UHFFFAOYSA-N 1 2 330.457 2.400 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000364852925 527527128 /nfs/dbraw/zinc/52/71/28/527527128.db2.gz JEVOXVOJZPGOKY-IBGZPJMESA-N 1 2 348.491 2.166 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC[N@@H+](Cc2nccn2CC)CC1 ZINC000364852925 527527135 /nfs/dbraw/zinc/52/71/35/527527135.db2.gz JEVOXVOJZPGOKY-IBGZPJMESA-N 1 2 348.491 2.166 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC[N@H+](Cc2nccn2CC)CC1 ZINC000364852925 527527138 /nfs/dbraw/zinc/52/71/38/527527138.db2.gz JEVOXVOJZPGOKY-IBGZPJMESA-N 1 2 348.491 2.166 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605866 528854023 /nfs/dbraw/zinc/85/40/23/528854023.db2.gz KGTXZPKJVKHXDG-FZKQIMNGSA-N 1 2 344.415 2.396 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605866 528854029 /nfs/dbraw/zinc/85/40/29/528854029.db2.gz KGTXZPKJVKHXDG-FZKQIMNGSA-N 1 2 344.415 2.396 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(COC)on2)[C@H]1CC ZINC001087751884 782185377 /nfs/dbraw/zinc/18/53/77/782185377.db2.gz LWVAMNIBGBURNI-GXTWGEPZSA-N 1 2 327.812 2.156 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(COC)on2)[C@H]1CC ZINC001087751884 782185381 /nfs/dbraw/zinc/18/53/81/782185381.db2.gz LWVAMNIBGBURNI-GXTWGEPZSA-N 1 2 327.812 2.156 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCCN2C(C)=O ZINC000730285101 577016478 /nfs/dbraw/zinc/01/64/78/577016478.db2.gz YIUGMZNHRYPFAD-SFHVURJKSA-N 1 2 325.412 2.022 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCCN2C(C)=O ZINC000730285101 577016479 /nfs/dbraw/zinc/01/64/79/577016479.db2.gz YIUGMZNHRYPFAD-SFHVURJKSA-N 1 2 325.412 2.022 20 30 EEEDLO C=C(C)CNC(=S)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000730599160 577045621 /nfs/dbraw/zinc/04/56/21/577045621.db2.gz AVWNCPKMEREQBB-QGZVFWFLSA-N 1 2 333.501 2.409 20 30 EEEDLO C[S@](=O)CC[NH+]1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000772074352 577249871 /nfs/dbraw/zinc/24/98/71/577249871.db2.gz GDFKPVUFGIWOCD-QHCPKHFHSA-N 1 2 345.390 2.078 20 30 EEEDLO C=CC[C@@H](CO)CNC(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000775431644 577437206 /nfs/dbraw/zinc/43/72/06/577437206.db2.gz WMMCVOBNYCPFJU-OAHLLOKOSA-N 1 2 347.459 2.148 20 30 EEEDLO N#Cc1c2c(cn(C[NH+]3CCC(OCC4CC4)CC3)c1=O)CCC2 ZINC000766637187 577522664 /nfs/dbraw/zinc/52/26/64/577522664.db2.gz MZDHBTOEKFQWEC-UHFFFAOYSA-N 1 2 327.428 2.057 20 30 EEEDLO Fc1cnc(N=NCc2c[nH+]c3ccc(Br)cn23)nc1 ZINC000760255568 577659574 /nfs/dbraw/zinc/65/95/74/577659574.db2.gz WMXFXWXIHXXWOW-UHFFFAOYSA-N 1 2 335.140 2.472 20 30 EEEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc[nH]1 ZINC000760349207 577661304 /nfs/dbraw/zinc/66/13/04/577661304.db2.gz UAGVWCNSBYXXTH-OAHLLOKOSA-N 1 2 337.427 2.475 20 30 EEEDLO N#CCOc1cc(F)ccc1NC(=O)NCCNc1cccc[nH+]1 ZINC000761671028 577687468 /nfs/dbraw/zinc/68/74/68/577687468.db2.gz XEKSUSZLURZZQZ-UHFFFAOYSA-N 1 2 329.335 2.357 20 30 EEEDLO N#Cc1ccc([C@H](O)CN2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000763231560 577717377 /nfs/dbraw/zinc/71/73/77/577717377.db2.gz COVCNWRYGNTUKD-GOSISDBHSA-N 1 2 327.453 2.471 20 30 EEEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N=NCC(C)(C)C)cc2)CC1 ZINC000755699341 577829500 /nfs/dbraw/zinc/82/95/00/577829500.db2.gz YEJWZXVQMGWJFT-UHFFFAOYSA-N 1 2 338.477 2.067 20 30 EEEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CCO[C@@H]([C@H]4CCCO4)C3)n2)cc1 ZINC000756858969 577851666 /nfs/dbraw/zinc/85/16/66/577851666.db2.gz XABVHXFORBOZHO-RTBURBONSA-N 1 2 338.411 2.259 20 30 EEEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CCO[C@@H]([C@H]4CCCO4)C3)n2)cc1 ZINC000756858969 577851667 /nfs/dbraw/zinc/85/16/67/577851667.db2.gz XABVHXFORBOZHO-RTBURBONSA-N 1 2 338.411 2.259 20 30 EEEDLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000745086163 577908468 /nfs/dbraw/zinc/90/84/68/577908468.db2.gz KBMXUBZIPDXMPX-IRXDYDNUSA-N 1 2 341.411 2.081 20 30 EEEDLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000745086163 577908469 /nfs/dbraw/zinc/90/84/69/577908469.db2.gz KBMXUBZIPDXMPX-IRXDYDNUSA-N 1 2 341.411 2.081 20 30 EEEDLO C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000745104524 577909135 /nfs/dbraw/zinc/90/91/35/577909135.db2.gz NCUGYDFFFNSRHH-WBVHZDCISA-N 1 2 330.428 2.275 20 30 EEEDLO C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000745104524 577909136 /nfs/dbraw/zinc/90/91/36/577909136.db2.gz NCUGYDFFFNSRHH-WBVHZDCISA-N 1 2 330.428 2.275 20 30 EEEDLO N#Cc1ccc(F)c(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000745893797 577920045 /nfs/dbraw/zinc/92/00/45/577920045.db2.gz HEDUIBGOWAYNMQ-OAHLLOKOSA-N 1 2 327.363 2.441 20 30 EEEDLO C=C(C)CN(CC)C(=O)CO[NH+]=C(N)Cc1ccc(OC)c(OC)c1 ZINC000747831760 577950893 /nfs/dbraw/zinc/95/08/93/577950893.db2.gz GZOOHJHZCXHJBZ-UHFFFAOYSA-N 1 2 349.431 2.169 20 30 EEEDLO NC(=[NH+]OC[C@H]1CCOC1)c1ccc(OCc2cccnc2)cc1 ZINC000747832369 577950907 /nfs/dbraw/zinc/95/09/07/577950907.db2.gz QPYYEKIKRDWAHP-HNNXBMFYSA-N 1 2 327.384 2.334 20 30 EEEDLO C[NH+]1CCN(c2cccc(Cl)c2CN=Nc2cccnn2)CC1 ZINC000735974698 578176167 /nfs/dbraw/zinc/17/61/67/578176167.db2.gz LPRPMWPOGOOSCJ-UHFFFAOYSA-N 1 2 330.823 2.328 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC000969691539 675169048 /nfs/dbraw/zinc/16/90/48/675169048.db2.gz UKDIUSMXYODBTC-XKQJLSEDSA-N 1 2 349.862 2.348 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccc3nccnc32)C1 ZINC000970644627 676046142 /nfs/dbraw/zinc/04/61/42/676046142.db2.gz DMDDNPYCTCIJDJ-GFCCVEGCSA-N 1 2 330.819 2.432 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccnn2C(F)F)C1 ZINC000966358102 675618062 /nfs/dbraw/zinc/61/80/62/675618062.db2.gz PGEUMMYOYQLJJL-KOLCDFICSA-N 1 2 332.782 2.471 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccnn2C(F)F)C1 ZINC000966358102 675618063 /nfs/dbraw/zinc/61/80/63/675618063.db2.gz PGEUMMYOYQLJJL-KOLCDFICSA-N 1 2 332.782 2.471 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000970261218 675752670 /nfs/dbraw/zinc/75/26/70/675752670.db2.gz FUKAQILJWALHPO-LBPRGKRZSA-N 1 2 345.834 2.274 20 30 EEEDLO Cc1nnc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C(=O)C#CC3CC3)C2)s1 ZINC001021582311 676235560 /nfs/dbraw/zinc/23/55/60/676235560.db2.gz VWGUBKPGJKEEQL-CVEARBPZSA-N 1 2 344.484 2.073 20 30 EEEDLO Cc1nnc(C[N@H+]2CC[C@H]3[C@H](CCCN3C(=O)C#CC3CC3)C2)s1 ZINC001021582311 676235562 /nfs/dbraw/zinc/23/55/62/676235562.db2.gz VWGUBKPGJKEEQL-CVEARBPZSA-N 1 2 344.484 2.073 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000970934161 676252479 /nfs/dbraw/zinc/25/24/79/676252479.db2.gz KUXNZGWHYZFMMD-SNVBAGLBSA-N 1 2 335.791 2.336 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C3CCCC3)n2)C1 ZINC000971219117 676446071 /nfs/dbraw/zinc/44/60/71/676446071.db2.gz WQQSNHCGOJRJDR-PBHICJAKSA-N 1 2 329.448 2.191 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C3CCCC3)n2)C1 ZINC000971219117 676446072 /nfs/dbraw/zinc/44/60/72/676446072.db2.gz WQQSNHCGOJRJDR-PBHICJAKSA-N 1 2 329.448 2.191 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)sc1C ZINC000971288728 676471667 /nfs/dbraw/zinc/47/16/67/676471667.db2.gz LEMQXVHIGIDFGX-CQSZACIVSA-N 1 2 343.456 2.306 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)sc1C ZINC000971288728 676471669 /nfs/dbraw/zinc/47/16/69/676471669.db2.gz LEMQXVHIGIDFGX-CQSZACIVSA-N 1 2 343.456 2.306 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cccc(C)c3C)CC2)C1 ZINC000949520498 676576220 /nfs/dbraw/zinc/57/62/20/676576220.db2.gz VSVPOSYASXCVEM-UHFFFAOYSA-N 1 2 326.440 2.244 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cccc(C)c3C)CC2)C1 ZINC000949520498 676576223 /nfs/dbraw/zinc/57/62/23/676576223.db2.gz VSVPOSYASXCVEM-UHFFFAOYSA-N 1 2 326.440 2.244 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)n(C)n2)C1 ZINC000971688687 676739134 /nfs/dbraw/zinc/73/91/34/676739134.db2.gz ZYFSUCLQXDZIRL-KRWDZBQOSA-N 1 2 341.459 2.063 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)n(C)n2)C1 ZINC000971688687 676739135 /nfs/dbraw/zinc/73/91/35/676739135.db2.gz ZYFSUCLQXDZIRL-KRWDZBQOSA-N 1 2 341.459 2.063 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC001041934644 677824467 /nfs/dbraw/zinc/82/44/67/677824467.db2.gz GMPVIBMNWJPAIX-TZMCWYRMSA-N 1 2 338.249 2.460 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC001041934644 677824471 /nfs/dbraw/zinc/82/44/71/677824471.db2.gz GMPVIBMNWJPAIX-TZMCWYRMSA-N 1 2 338.249 2.460 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC4(CC4)C3)C2)C1 ZINC000972387598 678638307 /nfs/dbraw/zinc/63/83/07/678638307.db2.gz SPEUSVQKAHIPTO-PXNSSMCTSA-N 1 2 330.472 2.283 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC4(CC4)C3)C2)C1 ZINC000972387598 678638311 /nfs/dbraw/zinc/63/83/11/678638311.db2.gz SPEUSVQKAHIPTO-PXNSSMCTSA-N 1 2 330.472 2.283 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccccc3CCC)C2)C1 ZINC000972461569 678795612 /nfs/dbraw/zinc/79/56/12/678795612.db2.gz UZHWOKHQLRUTTQ-HXUWFJFHSA-N 1 2 326.440 2.189 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccccc3CCC)C2)C1 ZINC000972461569 678795614 /nfs/dbraw/zinc/79/56/14/678795614.db2.gz UZHWOKHQLRUTTQ-HXUWFJFHSA-N 1 2 326.440 2.189 20 30 EEEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC001038257846 679141752 /nfs/dbraw/zinc/14/17/52/679141752.db2.gz MDLYUPPDMWJFKO-HGSUQPQSSA-N 1 2 328.378 2.425 20 30 EEEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC001038257846 679141753 /nfs/dbraw/zinc/14/17/53/679141753.db2.gz MDLYUPPDMWJFKO-HGSUQPQSSA-N 1 2 328.378 2.425 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(Cl)c(C)c3)C2)C1 ZINC000972534439 679201037 /nfs/dbraw/zinc/20/10/37/679201037.db2.gz LAWNYSKITXKGPB-SFHVURJKSA-N 1 2 332.831 2.199 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(Cl)c(C)c3)C2)C1 ZINC000972534439 679201038 /nfs/dbraw/zinc/20/10/38/679201038.db2.gz LAWNYSKITXKGPB-SFHVURJKSA-N 1 2 332.831 2.199 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4occc4s3)C2)C1 ZINC000972550580 679258565 /nfs/dbraw/zinc/25/85/65/679258565.db2.gz ZENVPCRMGCHNIJ-GOSISDBHSA-N 1 2 344.436 2.435 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4occc4s3)C2)C1 ZINC000972550580 679258567 /nfs/dbraw/zinc/25/85/67/679258567.db2.gz ZENVPCRMGCHNIJ-GOSISDBHSA-N 1 2 344.436 2.435 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(F)c(F)c(F)c3)C2)C1 ZINC000972562931 679296767 /nfs/dbraw/zinc/29/67/67/679296767.db2.gz IGZPCBDUCDLZQT-QGZVFWFLSA-N 1 2 340.345 2.207 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(F)c(F)c(F)c3)C2)C1 ZINC000972562931 679296769 /nfs/dbraw/zinc/29/67/69/679296769.db2.gz IGZPCBDUCDLZQT-QGZVFWFLSA-N 1 2 340.345 2.207 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+](Cc3nnc(C)[nH]3)C2)CC1 ZINC001023572687 679386310 /nfs/dbraw/zinc/38/63/10/679386310.db2.gz LFEFFJDYIDCBHZ-HNNXBMFYSA-N 1 2 331.464 2.188 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+](Cc3nnc(C)[nH]3)C2)CC1 ZINC001023572687 679386311 /nfs/dbraw/zinc/38/63/11/679386311.db2.gz LFEFFJDYIDCBHZ-HNNXBMFYSA-N 1 2 331.464 2.188 20 30 EEEDLO Cc1cnoc1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000972660788 679527487 /nfs/dbraw/zinc/52/74/87/679527487.db2.gz PZTYMUQSDSLNIJ-INIZCTEOSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1cnoc1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000972660788 679527489 /nfs/dbraw/zinc/52/74/89/679527489.db2.gz PZTYMUQSDSLNIJ-INIZCTEOSA-N 1 2 342.374 2.340 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccccc3F)C2)C1 ZINC000972669793 679562451 /nfs/dbraw/zinc/56/24/51/679562451.db2.gz SCAQGYJTVILRSA-FQEVSTJZSA-N 1 2 344.430 2.085 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccccc3F)C2)C1 ZINC000972669793 679562454 /nfs/dbraw/zinc/56/24/54/679562454.db2.gz SCAQGYJTVILRSA-FQEVSTJZSA-N 1 2 344.430 2.085 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001024515539 680018438 /nfs/dbraw/zinc/01/84/38/680018438.db2.gz UYWBYFNECLCHOJ-CABCVRRESA-N 1 2 336.867 2.169 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001024515539 680018443 /nfs/dbraw/zinc/01/84/43/680018443.db2.gz UYWBYFNECLCHOJ-CABCVRRESA-N 1 2 336.867 2.169 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc3c(c2)C[C@@H](C)O3)n1 ZINC000894109582 681296715 /nfs/dbraw/zinc/29/67/15/681296715.db2.gz RRBYLZWSJRKNLF-MRXNPFEDSA-N 1 2 339.439 2.488 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc3c(c2)C[C@@H](C)O3)n1 ZINC000894109582 681296718 /nfs/dbraw/zinc/29/67/18/681296718.db2.gz RRBYLZWSJRKNLF-MRXNPFEDSA-N 1 2 339.439 2.488 20 30 EEEDLO C[C@]1(C(=O)N2CCC[N@H+](Cc3ccc(F)c(C#N)c3)CC2)CCOC1 ZINC000982822790 681332831 /nfs/dbraw/zinc/33/28/31/681332831.db2.gz AIDXPALCNORDPT-IBGZPJMESA-N 1 2 345.418 2.158 20 30 EEEDLO C[C@]1(C(=O)N2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)CC2)CCOC1 ZINC000982822790 681332833 /nfs/dbraw/zinc/33/28/33/681332833.db2.gz AIDXPALCNORDPT-IBGZPJMESA-N 1 2 345.418 2.158 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(C(=O)NC)c1 ZINC001024806770 681459780 /nfs/dbraw/zinc/45/97/80/681459780.db2.gz MASGFJZBFHVRRI-INIZCTEOSA-N 1 2 349.862 2.383 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C(=O)NC)c1 ZINC001024806770 681459784 /nfs/dbraw/zinc/45/97/84/681459784.db2.gz MASGFJZBFHVRRI-INIZCTEOSA-N 1 2 349.862 2.383 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001059072215 681566764 /nfs/dbraw/zinc/56/67/64/681566764.db2.gz OJWZVOHRHXHJBY-XHSDSOJGSA-N 1 2 342.443 2.266 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCCC[C@H]2C[NH2+]Cc2nc(CC)no2)C1 ZINC001025075367 681975082 /nfs/dbraw/zinc/97/50/82/681975082.db2.gz DHLXJFAHNPVNFO-AWEZNQCLSA-N 1 2 332.448 2.459 20 30 EEEDLO Cc1n[nH]c(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3C#N)C2)c1C ZINC000983354512 682397427 /nfs/dbraw/zinc/39/74/27/682397427.db2.gz MJZVTHLDFVGKPE-CZIWCDLHSA-N 1 2 337.427 2.196 20 30 EEEDLO Cn1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)c1 ZINC001029272158 683769910 /nfs/dbraw/zinc/76/99/10/683769910.db2.gz GRKRPZBOTKZVLS-KDURUIRLSA-N 1 2 334.423 2.386 20 30 EEEDLO Cn1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)c1 ZINC001029272158 683769913 /nfs/dbraw/zinc/76/99/13/683769913.db2.gz GRKRPZBOTKZVLS-KDURUIRLSA-N 1 2 334.423 2.386 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CCCO1 ZINC001006657121 684703408 /nfs/dbraw/zinc/70/34/08/684703408.db2.gz MDNWOAHOYHJBLP-QZTJIDSGSA-N 1 2 346.858 2.451 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CCCO1 ZINC001006657121 684703409 /nfs/dbraw/zinc/70/34/09/684703409.db2.gz MDNWOAHOYHJBLP-QZTJIDSGSA-N 1 2 346.858 2.451 20 30 EEEDLO C#CCCCOc1ccc[nH+]c1NCC1(O)CCC2(CC1)OCCO2 ZINC000895882756 684760054 /nfs/dbraw/zinc/76/00/54/684760054.db2.gz VRNLBRLYRCILJO-UHFFFAOYSA-N 1 2 346.427 2.334 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H](N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000984629607 684902275 /nfs/dbraw/zinc/90/22/75/684902275.db2.gz XTRDBAMQEPTQDY-HNNXBMFYSA-N 1 2 344.459 2.066 20 30 EEEDLO C[C@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC001029528476 685712237 /nfs/dbraw/zinc/71/22/37/685712237.db2.gz WDOUOLHOCRCWLS-OAOYMFHYSA-N 1 2 339.439 2.158 20 30 EEEDLO C[C@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001029528476 685712240 /nfs/dbraw/zinc/71/22/40/685712240.db2.gz WDOUOLHOCRCWLS-OAOYMFHYSA-N 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ZINC000990278085 692804178 /nfs/dbraw/zinc/80/41/78/692804178.db2.gz UMJXSQNDJJSREY-WMZOPIPTSA-N 1 2 339.399 2.110 20 30 EEEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000898550731 693368549 /nfs/dbraw/zinc/36/85/49/693368549.db2.gz DUIWKXPPBCFKNZ-KRWDZBQOSA-N 1 2 340.427 2.165 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000943482210 1192305502 /nfs/dbraw/zinc/30/55/02/1192305502.db2.gz YNSTUCRYMBPYBM-KBXCAEBGSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000944088558 1192863885 /nfs/dbraw/zinc/86/38/85/1192863885.db2.gz OYHRNYGXPSICKY-QGZVFWFLSA-N 1 2 344.459 2.196 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000944088558 1192863887 /nfs/dbraw/zinc/86/38/87/1192863887.db2.gz OYHRNYGXPSICKY-QGZVFWFLSA-N 1 2 344.459 2.196 20 30 EEEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)[C@H]1CCCCO1 ZINC001493285597 1178232420 /nfs/dbraw/zinc/23/24/20/1178232420.db2.gz ACQVZYPYTHHJDB-CYBMUJFWSA-N 1 2 333.270 2.292 20 30 EEEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)[C@H]1CCCCO1 ZINC001493285597 1178232429 /nfs/dbraw/zinc/23/24/29/1178232429.db2.gz ACQVZYPYTHHJDB-CYBMUJFWSA-N 1 2 333.270 2.292 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccn(C)c2)C1 ZINC001033788096 1195254286 /nfs/dbraw/zinc/25/42/86/1195254286.db2.gz BTYLJAUFYFRJKN-AWEZNQCLSA-N 1 2 340.265 2.470 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn(C)c2)C1 ZINC001033788096 1195254292 /nfs/dbraw/zinc/25/42/92/1195254292.db2.gz BTYLJAUFYFRJKN-AWEZNQCLSA-N 1 2 340.265 2.470 20 30 EEEDLO C=CCN1CC[C@@]2(CCN(C(=O)CCc3ccc(C)[nH+]c3C)C2)C1=O ZINC001269506747 1184328403 /nfs/dbraw/zinc/32/84/03/1184328403.db2.gz MQOKKWMJRQAUJI-FQEVSTJZSA-N 1 2 341.455 2.268 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)[C@H]4CC45CCCC5)C3)C2)cc1C#N ZINC001271897929 1186591495 /nfs/dbraw/zinc/59/14/95/1186591495.db2.gz RITFFXVFXMFQOX-QGZVFWFLSA-N 1 2 338.455 2.121 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCCc3cccs3)nn2)C1 ZINC001107234623 1193453270 /nfs/dbraw/zinc/45/32/70/1193453270.db2.gz MVBXEXZOLXISHH-UHFFFAOYSA-N 1 2 345.472 2.021 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@H]2O)C1 ZINC001077642149 1193463565 /nfs/dbraw/zinc/46/35/65/1193463565.db2.gz XYQIVQXWCCAPRN-HZPDHXFCSA-N 1 2 334.847 2.358 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3Cl)C[C@H]2O)C1 ZINC001077642149 1193463567 /nfs/dbraw/zinc/46/35/67/1193463567.db2.gz XYQIVQXWCCAPRN-HZPDHXFCSA-N 1 2 334.847 2.358 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c[nH]nc1C(F)(F)F ZINC001272803709 1193506912 /nfs/dbraw/zinc/50/69/12/1193506912.db2.gz YOQBJOGPNPAFGQ-OAHLLOKOSA-N 1 2 340.349 2.019 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c[nH]nc1C(F)(F)F ZINC001272803709 1193506913 /nfs/dbraw/zinc/50/69/13/1193506913.db2.gz YOQBJOGPNPAFGQ-OAHLLOKOSA-N 1 2 340.349 2.019 20 30 EEEDLO C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001105566788 1188180512 /nfs/dbraw/zinc/18/05/12/1188180512.db2.gz VJEHNWWFIIGYNC-QGZVFWFLSA-N 1 2 328.460 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/nfs/dbraw/zinc/85/10/72/1188851072.db2.gz NUKFSBLAUBWNRG-AWEZNQCLSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1c(N)ncnc1Cl)CC2 ZINC001272907423 1193599411 /nfs/dbraw/zinc/59/94/11/1193599411.db2.gz PXTXOOQKVFTHFH-ZDUSSCGKSA-N 1 2 349.866 2.007 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C=C3CCCCC3)C2)s1 ZINC001076788588 1189164648 /nfs/dbraw/zinc/16/46/48/1189164648.db2.gz RDZXQDSYVZEQRV-IAGOWNOFSA-N 1 2 345.468 2.172 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C=C3CCCCC3)C2)s1 ZINC001076788588 1189164651 /nfs/dbraw/zinc/16/46/51/1189164651.db2.gz RDZXQDSYVZEQRV-IAGOWNOFSA-N 1 2 345.468 2.172 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001076988129 1189269509 /nfs/dbraw/zinc/26/95/09/1189269509.db2.gz VDTPNZSBOLDZQK-DLBZAZTESA-N 1 2 346.475 2.141 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3C=CCCC3)C2)s1 ZINC001077215091 1189392741 /nfs/dbraw/zinc/39/27/41/1189392741.db2.gz KXILEXQMPHGBFF-KBRIMQKVSA-N 1 2 345.468 2.027 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3C=CCCC3)C2)s1 ZINC001077215091 1189392747 /nfs/dbraw/zinc/39/27/47/1189392747.db2.gz KXILEXQMPHGBFF-KBRIMQKVSA-N 1 2 345.468 2.027 20 30 EEEDLO CS[C@H](C)CC[N@@H+]1C[C@]2(F)CN(CCCC#N)C(=O)[C@]2(F)C1 ZINC001273120160 1194401917 /nfs/dbraw/zinc/40/19/17/1194401917.db2.gz CQVCTEZZXYFXKP-VHDGCEQUSA-N 1 2 331.432 2.006 20 30 EEEDLO CS[C@H](C)CC[N@H+]1C[C@]2(F)CN(CCCC#N)C(=O)[C@]2(F)C1 ZINC001273120160 1194401920 /nfs/dbraw/zinc/40/19/20/1194401920.db2.gz CQVCTEZZXYFXKP-VHDGCEQUSA-N 1 2 331.432 2.006 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001033495869 1194647531 /nfs/dbraw/zinc/64/75/31/1194647531.db2.gz CPHNYPGELSVTGA-BQFCYCMXSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001033495869 1194647534 /nfs/dbraw/zinc/64/75/34/1194647534.db2.gz CPHNYPGELSVTGA-BQFCYCMXSA-N 1 2 347.459 2.387 20 30 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1196036592 /nfs/dbraw/zinc/03/65/92/1196036592.db2.gz CQSVIBWCHSHEAQ-AEFFLSMTSA-N 1 2 333.407 2.013 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+]([C@H](C)c3nncn3C)C2)C1 ZINC001034389720 1196175878 /nfs/dbraw/zinc/17/58/78/1196175878.db2.gz UZPPXPGHADKXJH-CABCVRRESA-N 1 2 331.464 2.203 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+]([C@H](C)c3nncn3C)C2)C1 ZINC001034389720 1196175879 /nfs/dbraw/zinc/17/58/79/1196175879.db2.gz UZPPXPGHADKXJH-CABCVRRESA-N 1 2 331.464 2.203 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(COC)on2)C1 ZINC001034433612 1196229250 /nfs/dbraw/zinc/22/92/50/1196229250.db2.gz YRZSPIBHFFKPCT-GFCCVEGCSA-N 1 2 327.812 2.158 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(COC)on2)C1 ZINC001034433612 1196229253 /nfs/dbraw/zinc/22/92/53/1196229253.db2.gz YRZSPIBHFFKPCT-GFCCVEGCSA-N 1 2 327.812 2.158 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001090216040 1196262367 /nfs/dbraw/zinc/26/23/67/1196262367.db2.gz 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CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCCC(C)(C)C)C1 ZINC001132020439 1199216327 /nfs/dbraw/zinc/21/63/27/1199216327.db2.gz FPXFHORCDJOING-SJORKVTESA-N 1 2 349.519 2.167 20 30 EEEDLO CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCCC(C)(C)C)C1 ZINC001132020439 1199216332 /nfs/dbraw/zinc/21/63/32/1199216332.db2.gz FPXFHORCDJOING-SJORKVTESA-N 1 2 349.519 2.167 20 30 EEEDLO C[C@H](C[C@@H](C)[NH2+]CC(F)(F)C(F)F)NC(=O)c1cc(C#N)c[nH]1 ZINC001134035857 1199252637 /nfs/dbraw/zinc/25/26/37/1199252637.db2.gz VXPACOZWNNTHMO-RKDXNWHRSA-N 1 2 334.317 2.273 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COCc2cc(C)no2)CC[C@H]1C ZINC001132128247 1199335584 /nfs/dbraw/zinc/33/55/84/1199335584.db2.gz KEAXABFKHGFGBB-KGLIPLIRSA-N 1 2 341.839 2.221 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COCc2cc(C)no2)CC[C@H]1C ZINC001132128247 1199335588 /nfs/dbraw/zinc/33/55/88/1199335588.db2.gz KEAXABFKHGFGBB-KGLIPLIRSA-N 1 2 341.839 2.221 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cc(OC)no2)C1 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C=CCNC(=O)C[N@@H+]1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21 ZINC000887143520 1204216698 /nfs/dbraw/zinc/21/66/98/1204216698.db2.gz CZTNFFZEAGEMBZ-BZSNNMDCSA-N 1 2 342.439 2.275 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001095411525 1204929885 /nfs/dbraw/zinc/92/98/85/1204929885.db2.gz YEJXLAGTBYBRPJ-LJQANCHMSA-N 1 2 346.475 2.321 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2c(F)cc(C)cc2OC)C1=O ZINC001274499163 1205058813 /nfs/dbraw/zinc/05/88/13/1205058813.db2.gz FYEIYSBINURHCM-IBGZPJMESA-N 1 2 330.403 2.343 20 30 EEEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2c(F)cc(C)cc2OC)C1=O ZINC001274499163 1205058815 /nfs/dbraw/zinc/05/88/15/1205058815.db2.gz FYEIYSBINURHCM-IBGZPJMESA-N 1 2 330.403 2.343 20 30 EEEDLO COc1c(C)c[nH+]c(CN(C)C(=O)CNc2ccc(C#N)cn2)c1C ZINC001411704970 1205493395 /nfs/dbraw/zinc/49/33/95/1205493395.db2.gz YATOKXCWSXEVSC-UHFFFAOYSA-N 1 2 339.399 2.044 20 30 EEEDLO N#Cc1cc(F)cc(C2(C(=O)N3CCc4cc[nH+]c(N)c4C3)CC2)c1 ZINC001412435084 1205724415 /nfs/dbraw/zinc/72/44/15/1205724415.db2.gz IMXXADDOWLLTBR-UHFFFAOYSA-N 1 2 336.370 2.291 20 30 EEEDLO N#Cc1cc(CN2CC3(C2)C[NH+](Cc2cccc(=O)[nH]2)C3)ccc1F ZINC001276238374 1205848796 /nfs/dbraw/zinc/84/87/96/1205848796.db2.gz JFNBGGYVZJRDJI-UHFFFAOYSA-N 1 2 338.386 2.116 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)nc1C ZINC001015207580 1224911280 /nfs/dbraw/zinc/91/12/80/1224911280.db2.gz VWVXQCKYUIZMNU-GOSISDBHSA-N 1 2 349.438 2.278 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)nc1C ZINC001015207580 1224911285 /nfs/dbraw/zinc/91/12/85/1224911285.db2.gz VWVXQCKYUIZMNU-GOSISDBHSA-N 1 2 349.438 2.278 20 30 EEEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sc3nccn3c1C)C2 ZINC001095546732 1205867798 /nfs/dbraw/zinc/86/77/98/1205867798.db2.gz IBPQAIYLYGCFGW-RDBSUJKOSA-N 1 2 328.441 2.063 20 30 EEEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sc3nccn3c1C)C2 ZINC001095546732 1205867800 /nfs/dbraw/zinc/86/78/00/1205867800.db2.gz IBPQAIYLYGCFGW-RDBSUJKOSA-N 1 2 328.441 2.063 20 30 EEEDLO Cn1cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)c(-c2ccc(C#N)cc2)n1 ZINC000777888857 1206549749 /nfs/dbraw/zinc/54/97/49/1206549749.db2.gz SHRFJMXICXICMU-IRXDYDNUSA-N 1 2 347.426 2.153 20 30 EEEDLO C[C@@H]1C[C@H](NC(=O)c2ccon2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947090835 1207693152 /nfs/dbraw/zinc/69/31/52/1207693152.db2.gz YQKJZZMMGJSVOK-MLGOLLRUSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1C[C@H](NC(=O)c2ccon2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947090835 1207693153 /nfs/dbraw/zinc/69/31/53/1207693153.db2.gz YQKJZZMMGJSVOK-MLGOLLRUSA-N 1 2 342.374 2.468 20 30 EEEDLO C=CCCC(=O)NCC1([NH2+]Cc2nnn(C(C)(C)C)n2)CCCCC1 ZINC001115442664 1207740905 /nfs/dbraw/zinc/74/09/05/1207740905.db2.gz KLRYVFUWSZYVDH-UHFFFAOYSA-N 1 2 348.495 2.303 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1O ZINC001111196537 1208354101 /nfs/dbraw/zinc/35/41/01/1208354101.db2.gz HVYZRYULNFBAFB-ZLIFDBKOSA-N 1 2 346.475 2.012 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]([C@H](C)Nc2[nH+]cnc3c2cnn3C)C1 ZINC001111222669 1208386521 /nfs/dbraw/zinc/38/65/21/1208386521.db2.gz DFJZFHNNZVRUKH-KBPBESRZSA-N 1 2 342.447 2.369 20 30 EEEDLO C=CCCC(=O)N1CCCC[C@H]1[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001095789993 1208520585 /nfs/dbraw/zinc/52/05/85/1208520585.db2.gz IGDVJDFFLREYJP-ZFWWWQNUSA-N 1 2 346.479 2.394 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)Cc2cnoc2)C[C@H]1C ZINC000947644291 1208657614 /nfs/dbraw/zinc/65/76/14/1208657614.db2.gz YSGBBLSOXUHZCG-DGCLKSJQSA-N 1 2 342.237 2.095 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnoc2)C[C@H]1C ZINC000947644291 1208657616 /nfs/dbraw/zinc/65/76/16/1208657616.db2.gz YSGBBLSOXUHZCG-DGCLKSJQSA-N 1 2 342.237 2.095 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)Cc2cnoc2)C[C@@H]1C ZINC000947644292 1208657661 /nfs/dbraw/zinc/65/76/61/1208657661.db2.gz YSGBBLSOXUHZCG-WCQYABFASA-N 1 2 342.237 2.095 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnoc2)C[C@@H]1C ZINC000947644292 1208657664 /nfs/dbraw/zinc/65/76/64/1208657664.db2.gz YSGBBLSOXUHZCG-WCQYABFASA-N 1 2 342.237 2.095 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](Cc2ncccn2)[C@H](C)C1 ZINC000947974607 1208799893 /nfs/dbraw/zinc/79/98/93/1208799893.db2.gz CFRJUXQPBXXLPN-VQIMIIECSA-N 1 2 348.450 2.170 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](Cc2ncccn2)[C@H](C)C1 ZINC000947974607 1208799895 /nfs/dbraw/zinc/79/98/95/1208799895.db2.gz CFRJUXQPBXXLPN-VQIMIIECSA-N 1 2 348.450 2.170 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cn2c(n1)CCC2 ZINC000948920211 1209453229 /nfs/dbraw/zinc/45/32/29/1209453229.db2.gz YKRFZZFSTHQETP-LJQANCHMSA-N 1 2 348.450 2.182 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cn2c(n1)CCC2 ZINC000948920211 1209453230 /nfs/dbraw/zinc/45/32/30/1209453230.db2.gz YKRFZZFSTHQETP-LJQANCHMSA-N 1 2 348.450 2.182 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1n[nH]c2c1CCCC2 ZINC000948935605 1209462078 /nfs/dbraw/zinc/46/20/78/1209462078.db2.gz GPMRHSSMQZIMSL-LJQANCHMSA-N 1 2 348.450 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C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCn2c(C)csc2=O)CC1 ZINC001038666872 1229962450 /nfs/dbraw/zinc/96/24/50/1229962450.db2.gz KEICYDBDQGVDQF-INIZCTEOSA-N 1 2 349.500 2.155 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cccc3c2OCC3)c1 ZINC001038735964 1230009040 /nfs/dbraw/zinc/00/90/40/1230009040.db2.gz TZGPOFRQHMUATL-SFHVURJKSA-N 1 2 347.418 2.497 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cccc3c2OCC3)c1 ZINC001038735964 1230009044 /nfs/dbraw/zinc/00/90/44/1230009044.db2.gz TZGPOFRQHMUATL-SFHVURJKSA-N 1 2 347.418 2.497 20 30 EEEDLO CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)cn1 ZINC001038765918 1230034724 /nfs/dbraw/zinc/03/47/24/1230034724.db2.gz CZKSSQJTARUADU-SFHVURJKSA-N 1 2 337.427 2.169 20 30 EEEDLO CCCn1cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)cn1 ZINC001038765918 1230034729 /nfs/dbraw/zinc/03/47/29/1230034729.db2.gz CZKSSQJTARUADU-SFHVURJKSA-N 1 2 337.427 2.169 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]2[C@@H](C)c2ccccc2F)nn1 ZINC001038780508 1230048811 /nfs/dbraw/zinc/04/88/11/1230048811.db2.gz DJPLPVCCKAHRNT-KBPBESRZSA-N 1 2 343.406 2.169 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H](C)c2ccccc2F)nn1 ZINC001038780508 1230048814 /nfs/dbraw/zinc/04/88/14/1230048814.db2.gz DJPLPVCCKAHRNT-KBPBESRZSA-N 1 2 343.406 2.169 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cncnc2C2CC2)cc1 ZINC001038977077 1230207507 /nfs/dbraw/zinc/20/75/07/1230207507.db2.gz NRVUOQICTVKPBM-QGZVFWFLSA-N 1 2 347.422 2.230 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cncnc2C2CC2)cc1 ZINC001038977077 1230207510 /nfs/dbraw/zinc/20/75/10/1230207510.db2.gz NRVUOQICTVKPBM-QGZVFWFLSA-N 1 2 347.422 2.230 20 30 EEEDLO CN(C)c1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)nc1 ZINC001039059910 1230271802 /nfs/dbraw/zinc/27/18/02/1230271802.db2.gz HLSAUEOZTAHPMU-SFHVURJKSA-N 1 2 349.438 2.024 20 30 EEEDLO CN(C)c1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)nc1 ZINC001039059910 1230271805 /nfs/dbraw/zinc/27/18/05/1230271805.db2.gz HLSAUEOZTAHPMU-SFHVURJKSA-N 1 2 349.438 2.024 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2nccn2C1 ZINC001039396042 1230578943 /nfs/dbraw/zinc/57/89/43/1230578943.db2.gz WWYMXPNWRTYQPX-OAGGEKHMSA-N 1 2 348.878 2.263 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2nccn2C1 ZINC001039396042 1230578947 /nfs/dbraw/zinc/57/89/47/1230578947.db2.gz WWYMXPNWRTYQPX-OAGGEKHMSA-N 1 2 348.878 2.263 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1coc(OC)n1 ZINC001039412047 1230592976 /nfs/dbraw/zinc/59/29/76/1230592976.db2.gz ZCOUNIQEBXWCIB-NEPJUHHUSA-N 1 2 325.796 2.115 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1coc(OC)n1 ZINC001039412047 1230592978 /nfs/dbraw/zinc/59/29/78/1230592978.db2.gz ZCOUNIQEBXWCIB-NEPJUHHUSA-N 1 2 325.796 2.115 20 30 EEEDLO C#CCCCCCC(=O)N(C)CCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001067300104 1230675048 /nfs/dbraw/zinc/67/50/48/1230675048.db2.gz ZQPCXCWNZIKOMP-UHFFFAOYSA-N 1 2 346.475 2.233 20 30 EEEDLO Cc1nc(NC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC[C@@H]2C)cc[nH+]1 ZINC001039854524 1230859602 /nfs/dbraw/zinc/85/96/02/1230859602.db2.gz HMFDGVSOROCKII-SWLSCSKDSA-N 1 2 338.415 2.195 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H]2CCN(C)C2=O)CC1 ZINC001039887335 1230887231 /nfs/dbraw/zinc/88/72/31/1230887231.db2.gz CRTJXVKREZHHNR-FGTMMUONSA-N 1 2 345.487 2.029 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H]2CCN(C)C2=O)CC1 ZINC001039887335 1230887235 /nfs/dbraw/zinc/88/72/35/1230887235.db2.gz CRTJXVKREZHHNR-FGTMMUONSA-N 1 2 345.487 2.029 20 30 EEEDLO Cc1cc(N2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC001040610734 1231311170 /nfs/dbraw/zinc/31/11/70/1231311170.db2.gz LUJVAKFNBPLKBI-DLBZAZTESA-N 1 2 338.455 2.359 20 30 EEEDLO C#CCC[N@H+]1CC[C@]2(CCN(C(=O)c3[nH]nnc3-c3ccccc3)C2)C1 ZINC001041845618 1231729007 /nfs/dbraw/zinc/72/90/07/1231729007.db2.gz JXRFTHBMZKIIJL-FQEVSTJZSA-N 1 2 349.438 2.033 20 30 EEEDLO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3[nH]nnc3-c3ccccc3)C2)C1 ZINC001041845618 1231729008 /nfs/dbraw/zinc/72/90/08/1231729008.db2.gz JXRFTHBMZKIIJL-FQEVSTJZSA-N 1 2 349.438 2.033 20 30 EEEDLO CC(C)c1nnc(C[N@@H+]2CC[C@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)o1 ZINC001042058741 1231860233 /nfs/dbraw/zinc/86/02/33/1231860233.db2.gz VFRHQUDXUYWXED-HOTGVXAUSA-N 1 2 342.443 2.029 20 30 EEEDLO CC(C)c1nnc(C[N@H+]2CC[C@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)o1 ZINC001042058741 1231860235 /nfs/dbraw/zinc/86/02/35/1231860235.db2.gz VFRHQUDXUYWXED-HOTGVXAUSA-N 1 2 342.443 2.029 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3coc(OCC)n3)C[C@H]21 ZINC001042134770 1231910359 /nfs/dbraw/zinc/91/03/59/1231910359.db2.gz QJDHWGUZHZDWKE-TZMCWYRMSA-N 1 2 339.823 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3coc(OCC)n3)C[C@H]21 ZINC001042134770 1231910361 /nfs/dbraw/zinc/91/03/61/1231910361.db2.gz QJDHWGUZHZDWKE-TZMCWYRMSA-N 1 2 339.823 2.362 20 30 EEEDLO C=CCn1cc(C(=O)N(C)C2C[NH+]([C@@H](C)c3cccc(C)c3)C2)nn1 ZINC001044022253 1232675760 /nfs/dbraw/zinc/67/57/60/1232675760.db2.gz HOBKYSLWRDLYAV-HNNXBMFYSA-N 1 2 339.443 2.290 20 30 EEEDLO C[C@H](CC1CCCCC1)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046070539 1234404567 /nfs/dbraw/zinc/40/45/67/1234404567.db2.gz ORDJNEMHWMHFAB-MJGOQNOKSA-N 1 2 346.519 2.335 20 30 EEEDLO C[C@]1(NC(=O)c2cccnc2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046101410 1234439474 /nfs/dbraw/zinc/43/94/74/1234439474.db2.gz DPGMPMQPQZZIHB-IBGZPJMESA-N 1 2 338.386 2.487 20 30 EEEDLO C[C@]1(NC(=O)c2cccnc2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046101410 1234439476 /nfs/dbraw/zinc/43/94/76/1234439476.db2.gz DPGMPMQPQZZIHB-IBGZPJMESA-N 1 2 338.386 2.487 20 30 EEEDLO Cc1cc(C(=O)N[C@@]2(C)CC[N@H+](CC#Cc3ccc(F)cc3)C2)no1 ZINC001046123251 1234466763 /nfs/dbraw/zinc/46/67/63/1234466763.db2.gz NWGZGHZJRXIDJX-IBGZPJMESA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1cc(C(=O)N[C@@]2(C)CC[N@@H+](CC#Cc3ccc(F)cc3)C2)no1 ZINC001046123251 1234466766 /nfs/dbraw/zinc/46/67/66/1234466766.db2.gz NWGZGHZJRXIDJX-IBGZPJMESA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1nnsc1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046136858 1234479665 /nfs/dbraw/zinc/47/96/65/1234479665.db2.gz ZBDGBKCTBCKOSM-HNNXBMFYSA-N 1 2 347.469 2.174 20 30 EEEDLO Cc1nnsc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046136858 1234479669 /nfs/dbraw/zinc/47/96/69/1234479669.db2.gz ZBDGBKCTBCKOSM-HNNXBMFYSA-N 1 2 347.469 2.174 20 30 EEEDLO C[C@@]1(NC(=O)c2ccc[nH]2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046139497 1234482604 /nfs/dbraw/zinc/48/26/04/1234482604.db2.gz JBQDZNXYRHOZCN-GOSISDBHSA-N 1 2 326.375 2.420 20 30 EEEDLO C[C@@]1(NC(=O)c2ccc[nH]2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046139497 1234482607 /nfs/dbraw/zinc/48/26/07/1234482607.db2.gz JBQDZNXYRHOZCN-GOSISDBHSA-N 1 2 326.375 2.420 20 30 EEEDLO Cc1n[nH]c(C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(C#N)cc3)C2)c1C ZINC001046199647 1234545845 /nfs/dbraw/zinc/54/58/45/1234545845.db2.gz JJSKJLIPQXMPMC-LJQANCHMSA-N 1 2 337.427 2.293 20 30 EEEDLO Cc1n[nH]c(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3)C2)c1C ZINC001046199647 1234545853 /nfs/dbraw/zinc/54/58/53/1234545853.db2.gz JJSKJLIPQXMPMC-LJQANCHMSA-N 1 2 337.427 2.293 20 30 EEEDLO C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@H+](CC=C(Cl)Cl)C1 ZINC001046222765 1234569660 /nfs/dbraw/zinc/56/96/60/1234569660.db2.gz CVBAVBVWPCEBEC-CQSZACIVSA-N 1 2 327.215 2.400 20 30 EEEDLO C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001046222765 1234569662 /nfs/dbraw/zinc/56/96/62/1234569662.db2.gz CVBAVBVWPCEBEC-CQSZACIVSA-N 1 2 327.215 2.400 20 30 EEEDLO Cc1nc(C(=O)N[C@@]2(C)CC[N@H+](CC#Cc3ccc(F)cc3)C2)co1 ZINC001046253901 1234598130 /nfs/dbraw/zinc/59/81/30/1234598130.db2.gz GBXGQDWDNGODTD-IBGZPJMESA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1nc(C(=O)N[C@@]2(C)CC[N@@H+](CC#Cc3ccc(F)cc3)C2)co1 ZINC001046253901 1234598133 /nfs/dbraw/zinc/59/81/33/1234598133.db2.gz GBXGQDWDNGODTD-IBGZPJMESA-N 1 2 341.386 2.368 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001046273577 1234618614 /nfs/dbraw/zinc/61/86/14/1234618614.db2.gz CRZBOFXFZJSRKN-KWBADKCTSA-N 1 2 337.208 2.377 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001046273577 1234618616 /nfs/dbraw/zinc/61/86/16/1234618616.db2.gz CRZBOFXFZJSRKN-KWBADKCTSA-N 1 2 337.208 2.377 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001046341189 1234683489 /nfs/dbraw/zinc/68/34/89/1234683489.db2.gz KJLQQMWEKRZZIP-QGZVFWFLSA-N 1 2 333.819 2.128 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001046341189 1234683491 /nfs/dbraw/zinc/68/34/91/1234683491.db2.gz KJLQQMWEKRZZIP-QGZVFWFLSA-N 1 2 333.819 2.128 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001067666941 1249384041 /nfs/dbraw/zinc/38/40/41/1249384041.db2.gz DZAJFWFFBNFPIN-HNNXBMFYSA-N 1 2 334.464 2.252 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001067666941 1249384057 /nfs/dbraw/zinc/38/40/57/1249384057.db2.gz DZAJFWFFBNFPIN-HNNXBMFYSA-N 1 2 334.464 2.252 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001046533578 1234915420 /nfs/dbraw/zinc/91/54/20/1234915420.db2.gz QWWXSOZKSJUULG-KRWDZBQOSA-N 1 2 347.850 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001046533578 1234915422 /nfs/dbraw/zinc/91/54/22/1234915422.db2.gz QWWXSOZKSJUULG-KRWDZBQOSA-N 1 2 347.850 2.293 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2nn(C)c3c2CCCC3)C1 ZINC001046640700 1235023332 /nfs/dbraw/zinc/02/33/32/1235023332.db2.gz KIAPETFWAJIQHR-KRWDZBQOSA-N 1 2 336.867 2.246 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2nn(C)c3c2CCCC3)C1 ZINC001046640700 1235023336 /nfs/dbraw/zinc/02/33/36/1235023336.db2.gz KIAPETFWAJIQHR-KRWDZBQOSA-N 1 2 336.867 2.246 20 30 EEEDLO Cc1cnoc1C(=O)N[C@]1(C)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046738659 1235131516 /nfs/dbraw/zinc/13/15/16/1235131516.db2.gz AGDOHZSMSXXWIZ-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO 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ZINC001188934216 1280070949 /nfs/dbraw/zinc/07/09/49/1280070949.db2.gz LLGZBKHBJLYTJF-SFHVURJKSA-N 1 2 341.455 2.329 20 30 EEEDLO CCO[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189005196 1280099293 /nfs/dbraw/zinc/09/92/93/1280099293.db2.gz SWZWOEYZCDNFSO-SUMWQHHRSA-N 1 2 333.407 2.155 20 30 EEEDLO CCO[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001189005196 1280099301 /nfs/dbraw/zinc/09/93/01/1280099301.db2.gz SWZWOEYZCDNFSO-SUMWQHHRSA-N 1 2 333.407 2.155 20 30 EEEDLO C=CCOCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(CC)o2)C1 ZINC001189565091 1280371279 /nfs/dbraw/zinc/37/12/79/1280371279.db2.gz LBBPDSMSFFLAMH-OAHLLOKOSA-N 1 2 335.448 2.253 20 30 EEEDLO C=CCOCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(CC)o2)C1 ZINC001189565091 1280371298 /nfs/dbraw/zinc/37/12/98/1280371298.db2.gz LBBPDSMSFFLAMH-OAHLLOKOSA-N 1 2 335.448 2.253 20 30 EEEDLO C=CCOCCCC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2ncccn2)C1 ZINC001189573116 1280395717 /nfs/dbraw/zinc/39/57/17/1280395717.db2.gz 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348.447 2.133 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2oc(CCC)nc2C)C[C@H]1O ZINC001195554843 1283592977 /nfs/dbraw/zinc/59/29/77/1283592977.db2.gz QROBCAVLDZTYFH-BZUAXINKSA-N 1 2 349.475 2.199 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2oc(CCC)nc2C)C[C@H]1O ZINC001195554843 1283592985 /nfs/dbraw/zinc/59/29/85/1283592985.db2.gz QROBCAVLDZTYFH-BZUAXINKSA-N 1 2 349.475 2.199 20 30 EEEDLO C=CCCOCCCCC(=O)N1CCC[N@@H+](Cc2ccnn2C)CC1 ZINC001195839993 1283782421 /nfs/dbraw/zinc/78/24/21/1283782421.db2.gz YTOMMPAVSNSQJO-UHFFFAOYSA-N 1 2 348.491 2.217 20 30 EEEDLO C=CCCOCCCCC(=O)N1CCC[N@H+](Cc2ccnn2C)CC1 ZINC001195839993 1283782433 /nfs/dbraw/zinc/78/24/33/1283782433.db2.gz YTOMMPAVSNSQJO-UHFFFAOYSA-N 1 2 348.491 2.217 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCC[N@H+](CC(=O)NCC2CCC2)CC1 ZINC001195950564 1283836373 /nfs/dbraw/zinc/83/63/73/1283836373.db2.gz MXQMWWHJXPUDHP-UHFFFAOYSA-N 1 2 347.503 2.205 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCC[N@@H+](CC(=O)NCC2CCC2)CC1 ZINC001195950564 1283836388 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C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)C(C)(C)C ZINC001198151901 1284996960 /nfs/dbraw/zinc/99/69/60/1284996960.db2.gz UVMNRVWGNWVFOH-QXAKKESOSA-N 1 2 342.483 2.272 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]([NH2+]CCF)c1ccccc1OC ZINC001198597246 1285244261 /nfs/dbraw/zinc/24/42/61/1285244261.db2.gz YSXNTOURBGGTKD-GOEBONIOSA-N 1 2 338.423 2.393 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3c(C)onc3CC)c2C1 ZINC001069882322 1286214940 /nfs/dbraw/zinc/21/49/40/1286214940.db2.gz BKNWTDYJBZNQDK-UHFFFAOYSA-N 1 2 343.431 2.064 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3c(C)onc3CC)c2C1 ZINC001069882322 1286214947 /nfs/dbraw/zinc/21/49/47/1286214947.db2.gz BKNWTDYJBZNQDK-UHFFFAOYSA-N 1 2 343.431 2.064 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1F ZINC001110550995 1286385468 /nfs/dbraw/zinc/38/54/68/1286385468.db2.gz KLSVYISPVPWQRX-NXHRZFHOSA-N 1 2 348.393 2.226 20 30 EEEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1F ZINC001110550995 1286385473 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LBNJTVGNJCIJKC-XJKSGUPXSA-N 1 2 341.415 2.412 20 30 EEEDLO C=CCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001072632158 1295938148 /nfs/dbraw/zinc/93/81/48/1295938148.db2.gz JBVBXPFRIMFPEF-DYVFJYSZSA-N 1 2 340.427 2.496 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2cc(C3CC3)no2)C[C@H]1OC ZINC001213322693 1295980634 /nfs/dbraw/zinc/98/06/34/1295980634.db2.gz OICDTRMNSFIGCG-FSPWUOQZSA-N 1 2 347.459 2.470 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1OC ZINC001213322693 1295980638 /nfs/dbraw/zinc/98/06/38/1295980638.db2.gz OICDTRMNSFIGCG-FSPWUOQZSA-N 1 2 347.459 2.470 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1(C(C)C)CC1 ZINC001213418980 1296016706 /nfs/dbraw/zinc/01/67/06/1296016706.db2.gz CAPJWYNIZMSORB-HZPDHXFCSA-N 1 2 347.484 2.371 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C1(C(C)C)CC1 ZINC001213418980 1296016714 /nfs/dbraw/zinc/01/67/14/1296016714.db2.gz CAPJWYNIZMSORB-HZPDHXFCSA-N 1 2 347.484 2.371 20 30 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C=C(C)[C@@H](CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ocnc1C)OCC ZINC001234643633 1304997882 /nfs/dbraw/zinc/99/78/82/1304997882.db2.gz PFRXKETWDYABFW-HZPDHXFCSA-N 1 2 335.448 2.387 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ocnc1C)OCC ZINC001234643633 1304997884 /nfs/dbraw/zinc/99/78/84/1304997884.db2.gz PFRXKETWDYABFW-HZPDHXFCSA-N 1 2 335.448 2.387 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NCCC[N@@H+](C)Cc1nc(C(C)C)no1 ZINC001235245687 1305162548 /nfs/dbraw/zinc/16/25/48/1305162548.db2.gz NPFNZNXDDPBRFB-CQSZACIVSA-N 1 2 338.452 2.112 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NCCC[N@H+](C)Cc1nc(C(C)C)no1 ZINC001235245687 1305162556 /nfs/dbraw/zinc/16/25/56/1305162556.db2.gz NPFNZNXDDPBRFB-CQSZACIVSA-N 1 2 338.452 2.112 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)Nc1ncc(C#N)cc1Cl ZINC001115801743 1305814465 /nfs/dbraw/zinc/81/44/65/1305814465.db2.gz OWIVSUQYVNOKJJ-JTQLQIEISA-N 1 2 346.822 2.140 20 30 EEEDLO C[N@@H+]1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC001278089617 1305911147 /nfs/dbraw/zinc/91/11/47/1305911147.db2.gz DNMJUUYFCIAPFH-SFXCNKRSSA-N 1 2 345.468 2.281 20 30 EEEDLO C[N@H+]1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC001278089617 1305911155 /nfs/dbraw/zinc/91/11/55/1305911155.db2.gz DNMJUUYFCIAPFH-SFXCNKRSSA-N 1 2 345.468 2.281 20 30 EEEDLO Cc1cc(C[NH+]2CCN(c3nccnc3C#N)CC2)cnc1C1CC1 ZINC001238627850 1308925074 /nfs/dbraw/zinc/92/50/74/1308925074.db2.gz MBMFLBCCTLQJAH-UHFFFAOYSA-N 1 2 334.427 2.251 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC3(C[C@H]3C(=O)N3CCCCO3)C2)c(F)c1 ZINC001278304507 1309211801 /nfs/dbraw/zinc/21/18/01/1309211801.db2.gz AYSDDVRPDTVSLJ-HNNXBMFYSA-N 1 2 329.375 2.073 20 30 EEEDLO N#CCOc1ccc(-c2ccc(OCC[NH+]3CCOCC3)cc2)nc1 ZINC001240449902 1309328600 /nfs/dbraw/zinc/32/86/00/1309328600.db2.gz NLOLNWNROGSGLG-UHFFFAOYSA-N 1 2 339.395 2.362 20 30 EEEDLO CC(C)C#CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2Cc2cnsn2)C1 ZINC001120373816 1309495230 /nfs/dbraw/zinc/49/52/30/1309495230.db2.gz RPYQVRDLGPGRFA-WBVHZDCISA-N 1 2 346.500 2.401 20 30 EEEDLO CC(C)C#CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2Cc2cnsn2)C1 ZINC001120373816 1309495235 /nfs/dbraw/zinc/49/52/35/1309495235.db2.gz RPYQVRDLGPGRFA-WBVHZDCISA-N 1 2 346.500 2.401 20 30 EEEDLO C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1cccc(F)c1C#N ZINC001120877667 1309807394 /nfs/dbraw/zinc/80/73/94/1309807394.db2.gz CJNKYZYEFYQJCP-YNEHKIRRSA-N 1 2 341.390 2.483 20 30 EEEDLO C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1cccc(F)c1C#N ZINC001120877667 1309807401 /nfs/dbraw/zinc/80/74/01/1309807401.db2.gz CJNKYZYEFYQJCP-YNEHKIRRSA-N 1 2 341.390 2.483 20 30 EEEDLO C[C@@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)Nc1ccc(C#N)cn1 ZINC001120878081 1309808615 /nfs/dbraw/zinc/80/86/15/1309808615.db2.gz HFBKPPTULOEULH-LBPRGKRZSA-N 1 2 334.383 2.402 20 30 EEEDLO N#Cc1cccc(-c2ccc(OCC[NH+]3CCOCC3)cc2F)n1 ZINC001244133012 1309913454 /nfs/dbraw/zinc/91/34/54/1309913454.db2.gz QLBSBOBUALWADC-UHFFFAOYSA-N 1 2 327.359 2.470 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](C(=O)OCC)C1 ZINC001122440656 1310286875 /nfs/dbraw/zinc/28/68/75/1310286875.db2.gz HTSIYNFDASHNJH-HUUCEWRRSA-N 1 2 347.463 2.010 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](C(=O)OCC)C1 ZINC001122440656 1310286884 /nfs/dbraw/zinc/28/68/84/1310286884.db2.gz HTSIYNFDASHNJH-HUUCEWRRSA-N 1 2 347.463 2.010 20 30 EEEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)OCCCc1c[nH+]cn1C ZINC001122969082 1310439188 /nfs/dbraw/zinc/43/91/88/1310439188.db2.gz CDNZXNKBMXZOLQ-UHFFFAOYSA-N 1 2 343.431 2.256 20 30 EEEDLO CCc1cc(N2CC[C@]3(NC(=O)[C@H](C)C#N)CCC[C@@H]23)nc(C)[nH+]1 ZINC001123375524 1310539591 /nfs/dbraw/zinc/53/95/91/1310539591.db2.gz IGWKYYRVFYGMBU-CDHAZOANSA-N 1 2 327.432 2.125 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](Cc3cnc4cccnc4c3)CC2)c1 ZINC001139742555 1314764768 /nfs/dbraw/zinc/76/47/68/1314764768.db2.gz DWPWMTWOHFUNIP-UHFFFAOYSA-N 1 2 330.395 2.219 20 30 EEEDLO C=CCn1cc(CN(C)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC001139771249 1314768391 /nfs/dbraw/zinc/76/83/91/1314768391.db2.gz UPTOMLJETKWOLQ-FQEVSTJZSA-N 1 2 340.471 2.402 20 30 EEEDLO C=CCn1cc(CN(C)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC001139771249 1314768394 /nfs/dbraw/zinc/76/83/94/1314768394.db2.gz UPTOMLJETKWOLQ-FQEVSTJZSA-N 1 2 340.471 2.402 20 30 EEEDLO COC(=O)COc1ccccc1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001140423568 1314887770 /nfs/dbraw/zinc/88/77/70/1314887770.db2.gz KFDJRAVCHOPZGC-OAHLLOKOSA-N 1 2 333.409 2.013 20 30 EEEDLO COC(=O)COc1ccccc1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001140423568 1314887775 /nfs/dbraw/zinc/88/77/75/1314887775.db2.gz KFDJRAVCHOPZGC-OAHLLOKOSA-N 1 2 333.409 2.013 20 30 EEEDLO C#CCOc1ccc(CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000836614391 1315011812 /nfs/dbraw/zinc/01/18/12/1315011812.db2.gz LATSFVQPIVYSSY-INIZCTEOSA-N 1 2 338.411 2.131 20 30 EEEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC001141040048 1315025639 /nfs/dbraw/zinc/02/56/39/1315025639.db2.gz OSTGLEXITJFXOT-UHFFFAOYSA-N 1 2 330.384 2.127 20 30 EEEDLO C=C(C)C[N@@H+](Cc1ccccc1)CN1CC2(CCOCC2)[C@@H](O)C1=O ZINC000840059595 1315285132 /nfs/dbraw/zinc/28/51/32/1315285132.db2.gz AJHKSJZMIFZEMV-SFHVURJKSA-N 1 2 344.455 2.022 20 30 EEEDLO C=C(C)C[N@H+](Cc1ccccc1)CN1CC2(CCOCC2)[C@@H](O)C1=O ZINC000840059595 1315285136 /nfs/dbraw/zinc/28/51/36/1315285136.db2.gz AJHKSJZMIFZEMV-SFHVURJKSA-N 1 2 344.455 2.022 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(N)cc3)CC2)cc1 ZINC000841301168 1315524930 /nfs/dbraw/zinc/52/49/30/1315524930.db2.gz DKXCHBGKKDHTNB-UHFFFAOYSA-N 1 2 335.411 2.490 20 30 EEEDLO N#CCOc1cccc(CC(=O)OCC2CN(c3cccc[nH+]3)C2)c1 ZINC000842885402 1315791715 /nfs/dbraw/zinc/79/17/15/1315791715.db2.gz ACKWQIVPXNJCMQ-UHFFFAOYSA-N 1 2 337.379 2.206 20 30 EEEDLO CC(C)(C)C(=O)NC[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC001150634154 1316322649 /nfs/dbraw/zinc/32/26/49/1316322649.db2.gz MSPYVFVJEDJTJT-INIZCTEOSA-N 1 2 347.434 2.451 20 30 EEEDLO CC(C)(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCCO1 ZINC001150634154 1316322653 /nfs/dbraw/zinc/32/26/53/1316322653.db2.gz MSPYVFVJEDJTJT-INIZCTEOSA-N 1 2 347.434 2.451 20 30 EEEDLO C=CCC[NH+]1CCC(CCOC)(NC(=O)C(F)C(F)(F)F)CC1 ZINC001151137548 1316457480 /nfs/dbraw/zinc/45/74/80/1316457480.db2.gz BFDTVWGVHKEPQL-LBPRGKRZSA-N 1 2 340.361 2.450 20 30 EEEDLO C=CCC[NH+]1CCC(CCOC)(NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001151137548 1316457492 /nfs/dbraw/zinc/45/74/92/1316457492.db2.gz BFDTVWGVHKEPQL-LBPRGKRZSA-N 1 2 340.361 2.450 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1c(F)cccc1F ZINC001153326948 1316811604 /nfs/dbraw/zinc/81/16/04/1316811604.db2.gz HDTPKRGAUSQIJZ-ZIAGYGMSSA-N 1 2 338.398 2.330 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1c(F)cccc1F ZINC001153326948 1316811607 /nfs/dbraw/zinc/81/16/07/1316811607.db2.gz HDTPKRGAUSQIJZ-ZIAGYGMSSA-N 1 2 338.398 2.330 20 30 EEEDLO C[N@@H+]1CCc2nc(C(=O)N[C@@H]3CCc4c3cccc4C#N)sc2C1 ZINC001154224608 1317001327 /nfs/dbraw/zinc/00/13/27/1317001327.db2.gz WZFVEKPSHQZMQQ-CQSZACIVSA-N 1 2 338.436 2.420 20 30 EEEDLO C[N@H+]1CCc2nc(C(=O)N[C@@H]3CCc4c3cccc4C#N)sc2C1 ZINC001154224608 1317001334 /nfs/dbraw/zinc/00/13/34/1317001334.db2.gz WZFVEKPSHQZMQQ-CQSZACIVSA-N 1 2 338.436 2.420 20 30 EEEDLO C#CC[NH+]1CCN(Cc2nc3cc(OC(F)(F)F)ccc3[nH]2)CC1 ZINC001249533480 1317112261 /nfs/dbraw/zinc/11/22/61/1317112261.db2.gz DZKYAJRLIVMRQT-UHFFFAOYSA-N 1 2 338.333 2.212 20 30 EEEDLO CC(C)C#CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cc2n(n1)CCC2 ZINC001157939446 1318939250 /nfs/dbraw/zinc/93/92/50/1318939250.db2.gz BCWJYVSBMSDXJB-LJQANCHMSA-N 1 2 342.487 2.302 20 30 EEEDLO CC(C)C#CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC001157939446 1318939255 /nfs/dbraw/zinc/93/92/55/1318939255.db2.gz BCWJYVSBMSDXJB-LJQANCHMSA-N 1 2 342.487 2.302 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1csc(C)n1 ZINC001157950673 1318944390 /nfs/dbraw/zinc/94/43/90/1318944390.db2.gz DUPHJHCHKOZSTF-RHSMWYFYSA-N 1 2 349.500 2.303 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1csc(C)n1 ZINC001157950673 1318944392 /nfs/dbraw/zinc/94/43/92/1318944392.db2.gz DUPHJHCHKOZSTF-RHSMWYFYSA-N 1 2 349.500 2.303 20 30 EEEDLO C[NH+]1CCC(C#N)(NS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC001257306943 1318978709 /nfs/dbraw/zinc/97/87/09/1318978709.db2.gz WARWHRFISJSMMT-UHFFFAOYSA-N 1 2 348.255 2.260 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cnnn1C ZINC001158370567 1319208580 /nfs/dbraw/zinc/20/85/80/1319208580.db2.gz VGMOXSNPSSAYHK-JKSUJKDBSA-N 1 2 333.480 2.230 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cnnn1C ZINC001158370567 1319208586 /nfs/dbraw/zinc/20/85/86/1319208586.db2.gz VGMOXSNPSSAYHK-JKSUJKDBSA-N 1 2 333.480 2.230 20 30 EEEDLO N#Cc1cccc(S(=O)(=O)NCc2c[nH+]cn2CC2CCC2)c1 ZINC001259128742 1319452000 /nfs/dbraw/zinc/45/20/00/1319452000.db2.gz LLOWTADUXHQVKG-UHFFFAOYSA-N 1 2 330.413 2.033 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NCCC[NH2+]Cc1nnsc1Cl)OCC ZINC001159149108 1319641564 /nfs/dbraw/zinc/64/15/64/1319641564.db2.gz UBCOSLHHWGJNSF-GFCCVEGCSA-N 1 2 346.884 2.159 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)[C@H](C)OC)CC1 ZINC001159452203 1319810571 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C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(OCC)c2)[C@H](O)C1 ZINC001090601246 787208562 /nfs/dbraw/zinc/20/85/62/787208562.db2.gz PIKQVUFHATUGAE-JKSUJKDBSA-N 1 2 338.835 2.003 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(OCC)c2)[C@H](O)C1 ZINC001090601246 787208569 /nfs/dbraw/zinc/20/85/69/787208569.db2.gz PIKQVUFHATUGAE-JKSUJKDBSA-N 1 2 338.835 2.003 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)C ZINC001109634481 805783115 /nfs/dbraw/zinc/78/31/15/805783115.db2.gz NYHIEUDRJWBDKS-NCOADZHNSA-N 1 2 335.492 2.082 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)C ZINC001109634481 805783121 /nfs/dbraw/zinc/78/31/21/805783121.db2.gz NYHIEUDRJWBDKS-NCOADZHNSA-N 1 2 335.492 2.082 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)C1CC(Nc2[nH+]cnc3c2cnn3C)C1 ZINC001127041213 787393165 /nfs/dbraw/zinc/39/31/65/787393165.db2.gz DPDAFYIVNCHCQJ-HSBZDZAISA-N 1 2 342.447 2.367 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2csc(C(C)C)n2)[C@H](O)C1 ZINC001090651738 787587100 /nfs/dbraw/zinc/58/71/00/787587100.db2.gz RKPZUZZQLKRSDX-DGCLKSJQSA-N 1 2 343.880 2.184 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2csc(C(C)C)n2)[C@H](O)C1 ZINC001090651738 787587106 /nfs/dbraw/zinc/58/71/06/787587106.db2.gz RKPZUZZQLKRSDX-DGCLKSJQSA-N 1 2 343.880 2.184 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001062292615 787801463 /nfs/dbraw/zinc/80/14/63/787801463.db2.gz IMXBTJYDSGSZBO-JKSUJKDBSA-N 1 2 346.475 2.360 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001062325166 787893025 /nfs/dbraw/zinc/89/30/25/787893025.db2.gz BLDPTSIGVDPKBM-RDTXWAMCSA-N 1 2 332.448 2.052 20 30 EEEDLO COCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC001098832215 788245681 /nfs/dbraw/zinc/24/56/81/788245681.db2.gz CQPRLLBNBHJBLC-QGZVFWFLSA-N 1 2 347.434 2.451 20 30 EEEDLO COCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cc(F)ccc1C#N ZINC001098832215 788245684 /nfs/dbraw/zinc/24/56/84/788245684.db2.gz CQPRLLBNBHJBLC-QGZVFWFLSA-N 1 2 347.434 2.451 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCC ZINC001109683705 805872331 /nfs/dbraw/zinc/87/23/31/805872331.db2.gz YBTRBIPORLDVRB-DRMAHVMPSA-N 1 2 335.492 2.227 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCC ZINC001109683705 805872341 /nfs/dbraw/zinc/87/23/41/805872341.db2.gz YBTRBIPORLDVRB-DRMAHVMPSA-N 1 2 335.492 2.227 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc3c(c2)CCC3)[C@H](O)C1 ZINC001090805655 788382560 /nfs/dbraw/zinc/38/25/60/788382560.db2.gz OZZLJVXFDWHCRO-ZWKOTPCHSA-N 1 2 348.874 2.022 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc3c(c2)CCC3)[C@H](O)C1 ZINC001090805655 788382567 /nfs/dbraw/zinc/38/25/67/788382567.db2.gz OZZLJVXFDWHCRO-ZWKOTPCHSA-N 1 2 348.874 2.022 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccc(C)cc23)[C@@H](O)C1 ZINC001090832889 788467876 /nfs/dbraw/zinc/46/78/76/788467876.db2.gz JIQDEOKKGKIYCB-SJORKVTESA-N 1 2 347.846 2.394 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccc(C)cc23)[C@@H](O)C1 ZINC001090832889 788467884 /nfs/dbraw/zinc/46/78/84/788467884.db2.gz JIQDEOKKGKIYCB-SJORKVTESA-N 1 2 347.846 2.394 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(CF)cc2)[C@H](O)C1 ZINC001090838703 788512772 /nfs/dbraw/zinc/51/27/72/788512772.db2.gz FUQSREDFJGZDPI-LSDHHAIUSA-N 1 2 326.799 2.074 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(CF)cc2)[C@H](O)C1 ZINC001090838703 788512781 /nfs/dbraw/zinc/51/27/81/788512781.db2.gz FUQSREDFJGZDPI-LSDHHAIUSA-N 1 2 326.799 2.074 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(CCC)cc2)C1 ZINC001108167795 788561091 /nfs/dbraw/zinc/56/10/91/788561091.db2.gz QQTAMHXOKJBQQF-FQEVSTJZSA-N 1 2 328.456 2.483 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(CCC)cc2)C1 ZINC001108167795 788561099 /nfs/dbraw/zinc/56/10/99/788561099.db2.gz QQTAMHXOKJBQQF-FQEVSTJZSA-N 1 2 328.456 2.483 20 30 EEEDLO C[C@H](C#N)C(=O)NC[C@@]1(C)C[N@H+](C/C=C\c2ccccc2)CCO1 ZINC001107819395 788564956 /nfs/dbraw/zinc/56/49/56/788564956.db2.gz OTHAWUWXFKJNRL-NSKUMVKISA-N 1 2 327.428 2.067 20 30 EEEDLO C[C@H](C#N)C(=O)NC[C@@]1(C)C[N@@H+](C/C=C\c2ccccc2)CCO1 ZINC001107819395 788564964 /nfs/dbraw/zinc/56/49/64/788564964.db2.gz OTHAWUWXFKJNRL-NSKUMVKISA-N 1 2 327.428 2.067 20 30 EEEDLO CN(CCCNc1cccc(F)c1C#N)C(=O)CCc1[nH+]ccn1C ZINC001109691702 805883818 /nfs/dbraw/zinc/88/38/18/805883818.db2.gz WDVLWMLSOCPOCS-UHFFFAOYSA-N 1 2 343.406 2.324 20 30 EEEDLO Cc1ccc(C[N@@H+]2CCO[C@](C)(CNC(=O)[C@@H](C)C#N)C2)cc1F ZINC001107821217 788604691 /nfs/dbraw/zinc/60/46/91/788604691.db2.gz LCXNWRVXOWHTHZ-KBXCAEBGSA-N 1 2 333.407 2.001 20 30 EEEDLO Cc1ccc(C[N@H+]2CCO[C@](C)(CNC(=O)[C@@H](C)C#N)C2)cc1F ZINC001107821217 788604698 /nfs/dbraw/zinc/60/46/98/788604698.db2.gz LCXNWRVXOWHTHZ-KBXCAEBGSA-N 1 2 333.407 2.001 20 30 EEEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000844134302 788869705 /nfs/dbraw/zinc/86/97/05/788869705.db2.gz IAJWNFPQZDZBFL-WBVHZDCISA-N 1 2 338.411 2.443 20 30 EEEDLO C#CC[NH+]1CCN(Cc2ccc(OC)c(OC(F)(F)F)c2)CC1 ZINC001143879150 788972172 /nfs/dbraw/zinc/97/21/72/788972172.db2.gz ZEIVWRHUTMBYDH-UHFFFAOYSA-N 1 2 328.334 2.345 20 30 EEEDLO C#CCN1CC[NH+](Cc2ccc(OC)c(OC(F)(F)F)c2)CC1 ZINC001143879150 788972178 /nfs/dbraw/zinc/97/21/78/788972178.db2.gz ZEIVWRHUTMBYDH-UHFFFAOYSA-N 1 2 328.334 2.345 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C2CC[NH+](Cc3ncc(C)o3)CC2)c1 ZINC001005967909 789063703 /nfs/dbraw/zinc/06/37/03/789063703.db2.gz GQJIWKIXWMHNLL-UHFFFAOYSA-N 1 2 338.411 2.096 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H](OCC)C(C)C)CC2)C1 ZINC001105713786 789138516 /nfs/dbraw/zinc/13/85/16/789138516.db2.gz VMYIZQZQYNGDRN-GOSISDBHSA-N 1 2 338.492 2.315 20 30 EEEDLO CC(C)CO[C@@H](C)c1noc(CO[NH+]=C(N)Cc2cccnc2)n1 ZINC000156687195 789185705 /nfs/dbraw/zinc/18/57/05/789185705.db2.gz DHKFAZOVFCVYGH-LBPRGKRZSA-N 1 2 333.392 2.230 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCO[C@@H](C)CC(C)C)C1 ZINC001107938247 789406999 /nfs/dbraw/zinc/40/69/99/789406999.db2.gz MCAODWCEJVYTIC-FUHWJXTLSA-N 1 2 326.481 2.221 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCO[C@@H](C)CC(C)C)C1 ZINC001107938247 789407004 /nfs/dbraw/zinc/40/70/04/789407004.db2.gz MCAODWCEJVYTIC-FUHWJXTLSA-N 1 2 326.481 2.221 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001060293670 789722908 /nfs/dbraw/zinc/72/29/08/789722908.db2.gz UDKXZCPCHKZQIK-ZDUSSCGKSA-N 1 2 342.447 2.369 20 30 EEEDLO C=CCOCC(=O)N[C@H](CNc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC001109792125 805996114 /nfs/dbraw/zinc/99/61/14/805996114.db2.gz PNIPHTISNBEFDB-OAHLLOKOSA-N 1 2 330.432 2.172 20 30 EEEDLO N#Cc1ccccc1C[NH2+]C1CC(CNC(=O)c2[nH]nc3c2CCC3)C1 ZINC001091115954 789807515 /nfs/dbraw/zinc/80/75/15/789807515.db2.gz IKSSGVHHRVRERD-UHFFFAOYSA-N 1 2 349.438 2.068 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@]1(C)C[N@H+](CCOCC(F)F)CCO1 ZINC001108187348 789830185 /nfs/dbraw/zinc/83/01/85/789830185.db2.gz GAEDUDOELDARER-SJORKVTESA-N 1 2 348.434 2.078 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@]1(C)C[N@@H+](CCOCC(F)F)CCO1 ZINC001108187348 789830195 /nfs/dbraw/zinc/83/01/95/789830195.db2.gz GAEDUDOELDARER-SJORKVTESA-N 1 2 348.434 2.078 20 30 EEEDLO C[N@@H+](Cc1cccc(C#N)c1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000046477120 790070459 /nfs/dbraw/zinc/07/04/59/790070459.db2.gz PUGCJLDSLAYVLB-UHFFFAOYSA-N 1 2 338.323 2.464 20 30 EEEDLO C[N@H+](Cc1cccc(C#N)c1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000046477120 790070464 /nfs/dbraw/zinc/07/04/64/790070464.db2.gz PUGCJLDSLAYVLB-UHFFFAOYSA-N 1 2 338.323 2.464 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)n1 ZINC001063574036 791315860 /nfs/dbraw/zinc/31/58/60/791315860.db2.gz GRVSVZWTJGHHLE-MRXNPFEDSA-N 1 2 338.415 2.021 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)n1 ZINC001063574036 791315869 /nfs/dbraw/zinc/31/58/69/791315869.db2.gz GRVSVZWTJGHHLE-MRXNPFEDSA-N 1 2 338.415 2.021 20 30 EEEDLO C#Cc1cccc(NC(=O)C[NH2+][C@@H](C(=O)N(C)C)c2ccccc2)c1 ZINC000172083242 791531051 /nfs/dbraw/zinc/53/10/51/791531051.db2.gz IPIKIKUCWCNTAT-LJQANCHMSA-N 1 2 335.407 2.026 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)CCC(C)C)C2 ZINC001109855178 806088399 /nfs/dbraw/zinc/08/83/99/806088399.db2.gz RMIQCZKSQSCNNB-ILXRZTDVSA-N 1 2 341.883 2.013 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)CCC(C)C)C2 ZINC001109855178 806088408 /nfs/dbraw/zinc/08/84/08/806088408.db2.gz RMIQCZKSQSCNNB-ILXRZTDVSA-N 1 2 341.883 2.013 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC1(CNC(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001063864335 791851486 /nfs/dbraw/zinc/85/14/86/791851486.db2.gz XNPZYSRKEZGONU-AWEZNQCLSA-N 1 2 332.448 2.018 20 30 EEEDLO Cc1cc(C(N)=[NH+]OCC(=O)N2CCc3ccccc32)ccc1F ZINC000063458080 791860630 /nfs/dbraw/zinc/86/06/30/791860630.db2.gz ULYINAAVEZWEAV-UHFFFAOYSA-N 1 2 327.359 2.360 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2coc(C)n2)[C@@H]1C ZINC001089006425 791873451 /nfs/dbraw/zinc/87/34/51/791873451.db2.gz FDEBBPBJOSHYIC-KUHUBIRLSA-N 1 2 337.423 2.286 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2coc(C)n2)[C@@H]1C ZINC001089006425 791873460 /nfs/dbraw/zinc/87/34/60/791873460.db2.gz FDEBBPBJOSHYIC-KUHUBIRLSA-N 1 2 337.423 2.286 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(NC(N)=O)c2)[C@H]1C ZINC001089031160 791928572 /nfs/dbraw/zinc/92/85/72/791928572.db2.gz UFRCFAOPCIBDKT-RISCZKNCSA-N 1 2 336.823 2.122 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(NC(N)=O)c2)[C@H]1C ZINC001089031160 791928574 /nfs/dbraw/zinc/92/85/74/791928574.db2.gz UFRCFAOPCIBDKT-RISCZKNCSA-N 1 2 336.823 2.122 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nnc(C)[nH]1)C2 ZINC001148125343 792200323 /nfs/dbraw/zinc/20/03/23/792200323.db2.gz MNVIPGXPOJZKTJ-DZGCQCFKSA-N 1 2 331.464 2.311 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nnc(C)[nH]1)C2 ZINC001148125343 792200330 /nfs/dbraw/zinc/20/03/30/792200330.db2.gz MNVIPGXPOJZKTJ-DZGCQCFKSA-N 1 2 331.464 2.311 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCn2cc(Cl)cn2)C1 ZINC001032614425 792357668 /nfs/dbraw/zinc/35/76/68/792357668.db2.gz PLJGLWLPTWXUCX-GJZGRUSLSA-N 1 2 334.851 2.178 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCn2cc(Cl)cn2)C1 ZINC001032614425 792357679 /nfs/dbraw/zinc/35/76/79/792357679.db2.gz PLJGLWLPTWXUCX-GJZGRUSLSA-N 1 2 334.851 2.178 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(C)n1CC)C2 ZINC001148357281 792386160 /nfs/dbraw/zinc/38/61/60/792386160.db2.gz HKAPYTVQQWOWEQ-UHFFFAOYSA-N 1 2 345.491 2.243 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](Cc1nnc(C)n1CC)C2 ZINC001148357281 792386167 /nfs/dbraw/zinc/38/61/67/792386167.db2.gz HKAPYTVQQWOWEQ-UHFFFAOYSA-N 1 2 345.491 2.243 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nc(CC)no1)C2 ZINC001148372284 792401196 /nfs/dbraw/zinc/40/11/96/792401196.db2.gz WKMYMCZUWVHGEI-UHFFFAOYSA-N 1 2 332.448 2.269 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](Cc1nc(CC)no1)C2 ZINC001148372284 792401202 /nfs/dbraw/zinc/40/12/02/792401202.db2.gz WKMYMCZUWVHGEI-UHFFFAOYSA-N 1 2 332.448 2.269 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@H]1CCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001064112077 792435470 /nfs/dbraw/zinc/43/54/70/792435470.db2.gz GIBDQNBWHOQRHH-IUODEOHRSA-N 1 2 341.390 2.360 20 30 EEEDLO C=CCCOCC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148874456 792732355 /nfs/dbraw/zinc/73/23/55/792732355.db2.gz WRJDLXXTMBUHIK-UHFFFAOYSA-N 1 2 347.459 2.425 20 30 EEEDLO C=CCCOCC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148874456 792732364 /nfs/dbraw/zinc/73/23/64/792732364.db2.gz WRJDLXXTMBUHIK-UHFFFAOYSA-N 1 2 347.459 2.425 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CC1)OCC ZINC001109916078 806190902 /nfs/dbraw/zinc/19/09/02/806190902.db2.gz RKBJMWXKCUKXOQ-JKSUJKDBSA-N 1 2 332.448 2.463 20 30 EEEDLO C=CC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(-c4nnc[nH]4)c3)C[C@]2(C)C1 ZINC001091905754 793393050 /nfs/dbraw/zinc/39/30/50/793393050.db2.gz NPERNCMIQYZVIH-APWZRJJASA-N 1 2 337.427 2.052 20 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ZINC001092400299 793901007 /nfs/dbraw/zinc/90/10/07/793901007.db2.gz KYERIGIDUCNRTG-MRXNPFEDSA-N 1 2 340.402 2.402 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccccc1C)c1nccn12 ZINC001092410558 793959560 /nfs/dbraw/zinc/95/95/60/793959560.db2.gz MAGZJZPWNWHVJO-SFHVURJKSA-N 1 2 348.450 2.029 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NCC[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001092475095 793998039 /nfs/dbraw/zinc/99/80/39/793998039.db2.gz FBXWSBXXDMXAES-BFYDXBDKSA-N 1 2 346.475 2.345 20 30 EEEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H](CC)CCC)CC2 ZINC001128060280 794121304 /nfs/dbraw/zinc/12/13/04/794121304.db2.gz XCNAOYXMFWGOJB-JKSUJKDBSA-N 1 2 345.491 2.038 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(c3cccc(F)n3)C2)CC1 ZINC001065189456 794310610 /nfs/dbraw/zinc/31/06/10/794310610.db2.gz OHWUSSBBERVDIP-OAHLLOKOSA-N 1 2 346.450 2.156 20 30 EEEDLO Cc1nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](C)C#N)C3)c2c([nH+]1)CCCC2 ZINC001092811485 794373687 /nfs/dbraw/zinc/37/36/87/794373687.db2.gz IZNHIOLISACUSS-LPOXYFBYSA-N 1 2 339.443 2.049 20 30 EEEDLO Cc1nsc(N[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c1C#N ZINC001098302866 794379617 /nfs/dbraw/zinc/37/96/17/794379617.db2.gz OBWXWJVGRNVCEY-WDEREUQCSA-N 1 2 332.433 2.088 20 30 EEEDLO CCc1ocnc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001079510776 794841735 /nfs/dbraw/zinc/84/17/35/794841735.db2.gz LAVZBHPCDXQDPB-CZUORRHYSA-N 1 2 338.411 2.359 20 30 EEEDLO CCc1ocnc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001079510776 794841742 /nfs/dbraw/zinc/84/17/42/794841742.db2.gz LAVZBHPCDXQDPB-CZUORRHYSA-N 1 2 338.411 2.359 20 30 EEEDLO N#Cc1ccc(NC2(CNC(=O)Cc3[nH]cc[nH+]3)CCCCC2)cn1 ZINC001093398024 795173543 /nfs/dbraw/zinc/17/35/43/795173543.db2.gz PLXMEXOLRDOQAN-UHFFFAOYSA-N 1 2 338.415 2.150 20 30 EEEDLO Cc1cc(NCC[C@H](C)NC(=O)CSCC#N)nc(C(C)C)[nH+]1 ZINC001106230909 795268437 /nfs/dbraw/zinc/26/84/37/795268437.db2.gz QFAUZZNUCJBLPA-LBPRGKRZSA-N 1 2 335.477 2.472 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)Cc3nc(C)sc3C)CC2)C1 ZINC001093546893 795361157 /nfs/dbraw/zinc/36/11/57/795361157.db2.gz VXZVWWGIQWZDCD-UHFFFAOYSA-N 1 2 349.500 2.180 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cccc4c3OCC4)CC2)C1 ZINC001093574099 795384824 /nfs/dbraw/zinc/38/48/24/795384824.db2.gz MQKMAZSSKAGGTL-UHFFFAOYSA-N 1 2 342.439 2.113 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CC[C@H]3CC[C@@H](C)O3)CC2)C1 ZINC001093599156 795439572 /nfs/dbraw/zinc/43/95/72/795439572.db2.gz RCXSFOJOVDOVIB-HZPDHXFCSA-N 1 2 336.476 2.212 20 30 EEEDLO C=CCC1(C(=O)N2CC(N(CC)C(=O)Cn3cc[nH+]c3)C2)CCCC1 ZINC001080032342 795508312 /nfs/dbraw/zinc/50/83/12/795508312.db2.gz XRMCHIQOCIARLL-UHFFFAOYSA-N 1 2 344.459 2.079 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1c(C)cc(C)cc1C ZINC001032765730 795618250 /nfs/dbraw/zinc/61/82/50/795618250.db2.gz CGTBRCOFFFLWRY-ROUUACIJSA-N 1 2 326.440 2.299 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1c(C)cc(C)cc1C ZINC001032765730 795618254 /nfs/dbraw/zinc/61/82/54/795618254.db2.gz CGTBRCOFFFLWRY-ROUUACIJSA-N 1 2 326.440 2.299 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OCC)c(OC)c1 ZINC001032776998 795677815 /nfs/dbraw/zinc/67/78/15/795677815.db2.gz JBJVGKRIZKJGGW-HOTGVXAUSA-N 1 2 328.412 2.016 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OCC)c(OC)c1 ZINC001032776998 795677819 /nfs/dbraw/zinc/67/78/19/795677819.db2.gz JBJVGKRIZKJGGW-HOTGVXAUSA-N 1 2 328.412 2.016 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2N(C)C(C)=O)C1 ZINC001080219704 795723191 /nfs/dbraw/zinc/72/31/91/795723191.db2.gz QLHKMFOMETXBMC-MLGOLLRUSA-N 1 2 349.862 2.472 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2N(C)C(C)=O)C1 ZINC001080219704 795723196 /nfs/dbraw/zinc/72/31/96/795723196.db2.gz QLHKMFOMETXBMC-MLGOLLRUSA-N 1 2 349.862 2.472 20 30 EEEDLO C=CC(C)(C)C(=O)N(CC)C1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001080223275 795758174 /nfs/dbraw/zinc/75/81/74/795758174.db2.gz ZFLLLOPERFFHFO-AWEZNQCLSA-N 1 2 332.448 2.106 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001080228676 795766448 /nfs/dbraw/zinc/76/64/48/795766448.db2.gz KUDBFVAQANKEKB-MEBBXXQBSA-N 1 2 347.850 2.149 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001080228676 795766451 /nfs/dbraw/zinc/76/64/51/795766451.db2.gz KUDBFVAQANKEKB-MEBBXXQBSA-N 1 2 347.850 2.149 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@H](C)CCNc1[nH+]cnc2c1cnn2C ZINC001106537774 795790207 /nfs/dbraw/zinc/79/02/07/795790207.db2.gz QITMIVVBZIXSPR-QWHCGFSZSA-N 1 2 330.436 2.272 20 30 EEEDLO C#Cc1ccc(C(=O)NCCNc2nc(C)[nH+]c3c2CCCC3)cc1 ZINC001094029410 795883494 /nfs/dbraw/zinc/88/34/94/795883494.db2.gz NTTPMQWMYZVSGM-UHFFFAOYSA-N 1 2 334.423 2.487 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@@H+]1Cc1ccc(F)cn1 ZINC000993209211 795959880 /nfs/dbraw/zinc/95/98/80/795959880.db2.gz RXVOHUGUQMAVKT-WBMJQRKESA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1Cc1ccc(F)cn1 ZINC000993209211 795959887 /nfs/dbraw/zinc/95/98/87/795959887.db2.gz RXVOHUGUQMAVKT-WBMJQRKESA-N 1 2 341.390 2.203 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(CC)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001080466429 796038889 /nfs/dbraw/zinc/03/88/89/796038889.db2.gz YZFUGRZMOWJSFF-GOSISDBHSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(CC)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001080466429 796038894 /nfs/dbraw/zinc/03/88/94/796038894.db2.gz YZFUGRZMOWJSFF-GOSISDBHSA-N 1 2 332.448 2.004 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@H](C)CCNc2cnc(C#N)cn2)c(C)[nH+]1 ZINC001106658390 796064279 /nfs/dbraw/zinc/06/42/79/796064279.db2.gz IFGUFBCBZDEQAN-GFCCVEGCSA-N 1 2 338.415 2.289 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)O1 ZINC001080476300 796065866 /nfs/dbraw/zinc/06/58/66/796065866.db2.gz AQUQUAYHYLBAIM-XHSVMWQWSA-N 1 2 345.418 2.201 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]2C)O1 ZINC001080476300 796065875 /nfs/dbraw/zinc/06/58/75/796065875.db2.gz AQUQUAYHYLBAIM-XHSVMWQWSA-N 1 2 345.418 2.201 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCCC3(C)C)nn2)C1 ZINC001094310084 796077319 /nfs/dbraw/zinc/07/73/19/796077319.db2.gz DEYITZKMNDZSDL-INIZCTEOSA-N 1 2 331.464 2.153 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3cc(C)cc(C)c3)nn2)C1 ZINC001094336929 796109940 /nfs/dbraw/zinc/10/99/40/796109940.db2.gz YMRMRSHRWKUUPO-UHFFFAOYSA-N 1 2 339.443 2.258 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3sccc3CC)nn2)C1 ZINC001094338828 796113076 /nfs/dbraw/zinc/11/30/76/796113076.db2.gz FXPKDMOAZOCQPG-UHFFFAOYSA-N 1 2 345.472 2.265 20 30 EEEDLO C=C1CC(C)(C(=O)N(CC)C2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001080502945 796121587 /nfs/dbraw/zinc/12/15/87/796121587.db2.gz XPAYUAZTJMQUQM-HNNXBMFYSA-N 1 2 344.459 2.250 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1ccc(OC)cc1 ZINC001032796642 796225830 /nfs/dbraw/zinc/22/58/30/796225830.db2.gz LCEDMOPIXVOTLD-IRXDYDNUSA-N 1 2 326.440 2.281 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1ccc(OC)cc1 ZINC001032796642 796225833 /nfs/dbraw/zinc/22/58/33/796225833.db2.gz LCEDMOPIXVOTLD-IRXDYDNUSA-N 1 2 326.440 2.281 20 30 EEEDLO N#Cc1c(F)cccc1NCCCNC(=O)CCCn1cc[nH+]c1 ZINC001094469772 796296383 /nfs/dbraw/zinc/29/63/83/796296383.db2.gz BVRXCZICERXPFR-UHFFFAOYSA-N 1 2 329.379 2.292 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCO[C@@H](C[NH2+][C@H](C)c2csnn2)C1 ZINC001078440943 796450880 /nfs/dbraw/zinc/45/08/80/796450880.db2.gz KHZVNSQLODJYHY-OLZOCXBDSA-N 1 2 338.477 2.018 20 30 EEEDLO N#Cc1c(F)cccc1NCCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001094781241 796575962 /nfs/dbraw/zinc/57/59/62/796575962.db2.gz GLCHAOAZUQQYAP-GFCCVEGCSA-N 1 2 341.390 2.459 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C[C@H]3CCCC(C)(C)C3)CC2=O)C1 ZINC001094803482 796599737 /nfs/dbraw/zinc/59/97/37/796599737.db2.gz FVEYLUCVVVALHV-HZPDHXFCSA-N 1 2 347.503 2.180 20 30 EEEDLO COC(=O)c1c(OC)cc[nH+]c1NCCOc1ccc(C#N)cc1 ZINC001171481390 796611562 /nfs/dbraw/zinc/61/15/62/796611562.db2.gz YFMDFNHZYQABQI-UHFFFAOYSA-N 1 2 327.340 2.239 20 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ZINC000993684225 796911536 /nfs/dbraw/zinc/91/15/36/796911536.db2.gz OJHLFPKGCPUYQP-PBHICJAKSA-N 1 2 337.427 2.078 20 30 EEEDLO N#CCN[C@@H]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C12CCC2 ZINC001078768668 796959400 /nfs/dbraw/zinc/95/94/00/796959400.db2.gz URHZMPKWQMAFAR-SJORKVTESA-N 1 2 335.411 2.026 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2csc(COC)n2)C1 ZINC001046869349 796981314 /nfs/dbraw/zinc/98/13/14/796981314.db2.gz XRGWESVMEKJIPC-CQSZACIVSA-N 1 2 329.853 2.236 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2csc(COC)n2)C1 ZINC001046869349 796981316 /nfs/dbraw/zinc/98/13/16/796981316.db2.gz XRGWESVMEKJIPC-CQSZACIVSA-N 1 2 329.853 2.236 20 30 EEEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]CCC#N)CN1C(=O)OC(C)(C)C ZINC001172688699 797057638 /nfs/dbraw/zinc/05/76/38/797057638.db2.gz PILANRZBQFJLNC-STQMWFEESA-N 1 2 339.436 2.209 20 30 EEEDLO N#Cc1cccnc1NCCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001094956265 797126400 /nfs/dbraw/zinc/12/64/00/797126400.db2.gz OIRQMPWITBLUIM-UHFFFAOYSA-N 1 2 340.431 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797290342 /nfs/dbraw/zinc/29/03/42/797290342.db2.gz WCLGHHZHVCPQCD-HNNXBMFYSA-N 1 2 346.475 2.360 20 30 EEEDLO C#CCCCCCC(=O)N1CCCC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001082208043 797312581 /nfs/dbraw/zinc/31/25/81/797312581.db2.gz VCKJPVIZPAHLJH-INIZCTEOSA-N 1 2 344.459 2.033 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001095084818 797329777 /nfs/dbraw/zinc/32/97/77/797329777.db2.gz BZVOXRYIQFOSJI-CQSZACIVSA-N 1 2 343.475 2.080 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001095084818 797329783 /nfs/dbraw/zinc/32/97/83/797329783.db2.gz BZVOXRYIQFOSJI-CQSZACIVSA-N 1 2 343.475 2.080 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001095114481 797370763 /nfs/dbraw/zinc/37/07/63/797370763.db2.gz BKILDVIYQHLRMJ-DNVCBOLYSA-N 1 2 344.459 2.027 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001095115460 797371524 /nfs/dbraw/zinc/37/15/24/797371524.db2.gz LZQDHGVDEPUMEI-BEFAXECRSA-N 1 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CCC(CC)C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083006657 797824214 /nfs/dbraw/zinc/82/42/14/797824214.db2.gz QYEMTOBGLVRWAC-VQTJNVASSA-N 1 2 340.467 2.386 20 30 EEEDLO CCC(CC)C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083006657 797824218 /nfs/dbraw/zinc/82/42/18/797824218.db2.gz QYEMTOBGLVRWAC-VQTJNVASSA-N 1 2 340.467 2.386 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4ccc(C)cc4[nH]3)[C@H]2C1 ZINC001083155741 797899292 /nfs/dbraw/zinc/89/92/92/797899292.db2.gz KXMIOUMRJZUAED-RBUKOAKNSA-N 1 2 337.423 2.025 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4ccc(C)cc4[nH]3)[C@H]2C1 ZINC001083155741 797899302 /nfs/dbraw/zinc/89/93/02/797899302.db2.gz KXMIOUMRJZUAED-RBUKOAKNSA-N 1 2 337.423 2.025 20 30 EEEDLO CC(C)(F)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084148049 797998817 /nfs/dbraw/zinc/99/88/17/797998817.db2.gz NEKNQMVCMBNZIA-GDBMZVCRSA-N 1 2 333.382 2.478 20 30 EEEDLO CC(C)(F)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001084148049 797998821 /nfs/dbraw/zinc/99/88/21/797998821.db2.gz NEKNQMVCMBNZIA-GDBMZVCRSA-N 1 2 333.382 2.478 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccn3)[C@@H]2C1 ZINC001084151878 798001668 /nfs/dbraw/zinc/00/16/68/798001668.db2.gz VHEHRQPETDMAKP-IEBWSBKVSA-N 1 2 332.407 2.300 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccn3)[C@@H]2C1 ZINC001084151878 798001675 /nfs/dbraw/zinc/00/16/75/798001675.db2.gz VHEHRQPETDMAKP-IEBWSBKVSA-N 1 2 332.407 2.300 20 30 EEEDLO CC/C(C)=C\C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001212223840 798092197 /nfs/dbraw/zinc/09/21/97/798092197.db2.gz VLEIGKDWSCDMLP-JSHYCZBYSA-N 1 2 345.418 2.369 20 30 EEEDLO CC/C(C)=C\C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001212223840 798092205 /nfs/dbraw/zinc/09/22/05/798092205.db2.gz VLEIGKDWSCDMLP-JSHYCZBYSA-N 1 2 345.418 2.369 20 30 EEEDLO C=C(Cl)CN1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001084360982 798166217 /nfs/dbraw/zinc/16/62/17/798166217.db2.gz UQBGPMSEYRPLOU-GDBMZVCRSA-N 1 2 348.878 2.047 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3c(C4CC4)cnn3C)[C@@H]2C1 ZINC001084396941 798195102 /nfs/dbraw/zinc/19/51/02/798195102.db2.gz WDWFAXPNTZRFHI-UKRRQHHQSA-N 1 2 334.851 2.196 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(C4CC4)cnn3C)[C@@H]2C1 ZINC001084396941 798195105 /nfs/dbraw/zinc/19/51/05/798195105.db2.gz WDWFAXPNTZRFHI-UKRRQHHQSA-N 1 2 334.851 2.196 20 30 EEEDLO Cc1nonc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)[C@H]1C ZINC000994527286 798268367 /nfs/dbraw/zinc/26/83/67/798268367.db2.gz GHFGKWPOXXMFTM-SMDDNHRTSA-N 1 2 345.428 2.094 20 30 EEEDLO Cc1nonc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)[C@H]1C ZINC000994527286 798268371 /nfs/dbraw/zinc/26/83/71/798268371.db2.gz GHFGKWPOXXMFTM-SMDDNHRTSA-N 1 2 345.428 2.094 20 30 EEEDLO Cc1nsc(N[C@H]2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1C#N ZINC001061107439 798292528 /nfs/dbraw/zinc/29/25/28/798292528.db2.gz LDIYQGIXOSGJSU-NEPJUHHUSA-N 1 2 344.444 2.128 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cncc3nc[nH]c32)CC(C)(C)C1 ZINC001089388372 798314017 /nfs/dbraw/zinc/31/40/17/798314017.db2.gz BGUJGJIBXJTQRF-CQSZACIVSA-N 1 2 339.443 2.202 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cncc3nc[nH]c32)CC(C)(C)C1 ZINC001089388372 798314024 /nfs/dbraw/zinc/31/40/24/798314024.db2.gz BGUJGJIBXJTQRF-CQSZACIVSA-N 1 2 339.443 2.202 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3CCC(OC)CC3)[C@@H]2C1 ZINC001084617618 798317349 /nfs/dbraw/zinc/31/73/49/798317349.db2.gz CRMQFPMFTMQKHE-GYTBAZASSA-N 1 2 326.868 2.477 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CCC(OC)CC3)[C@@H]2C1 ZINC001084617618 798317356 /nfs/dbraw/zinc/31/73/56/798317356.db2.gz CRMQFPMFTMQKHE-GYTBAZASSA-N 1 2 326.868 2.477 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC(C)C)c3)[C@@H]2C1 ZINC001084743078 798424571 /nfs/dbraw/zinc/42/45/71/798424571.db2.gz UQTWLUYWMGYKCJ-GDBMZVCRSA-N 1 2 336.867 2.438 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC(C)C)c3)[C@@H]2C1 ZINC001084743078 798424572 /nfs/dbraw/zinc/42/45/72/798424572.db2.gz UQTWLUYWMGYKCJ-GDBMZVCRSA-N 1 2 336.867 2.438 20 30 EEEDLO Cc1nsc(N[C@@H]2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1C#N ZINC001061136048 798539783 /nfs/dbraw/zinc/53/97/83/798539783.db2.gz KFACOYSQLNTMAF-NWDGAFQWSA-N 1 2 344.444 2.128 20 30 EEEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)C[C@@H](C)OC)c2C1 ZINC001128255736 798551380 /nfs/dbraw/zinc/55/13/80/798551380.db2.gz PHVIBYOEGHSZDI-MRXNPFEDSA-N 1 2 348.491 2.486 20 30 EEEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)C[C@@H](C)OC)c2C1 ZINC001128255736 798551383 /nfs/dbraw/zinc/55/13/83/798551383.db2.gz PHVIBYOEGHSZDI-MRXNPFEDSA-N 1 2 348.491 2.486 20 30 EEEDLO CCCCCCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccn[nH]3)C[C@@H]21 ZINC001176969918 798665094 /nfs/dbraw/zinc/66/50/94/798665094.db2.gz PUELNROORCOIFI-ROUUACIJSA-N 1 2 348.491 2.224 20 30 EEEDLO CCCCCCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccn[nH]3)C[C@@H]21 ZINC001176969918 798665099 /nfs/dbraw/zinc/66/50/99/798665099.db2.gz PUELNROORCOIFI-ROUUACIJSA-N 1 2 348.491 2.224 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)c3c(C)coc3C)C[C@@H]21 ZINC001176995510 798685917 /nfs/dbraw/zinc/68/59/17/798685917.db2.gz WTEXISTTWMJQOU-IRXDYDNUSA-N 1 2 348.443 2.014 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c(C)coc3C)C[C@@H]21 ZINC001176995510 798685919 /nfs/dbraw/zinc/68/59/19/798685919.db2.gz WTEXISTTWMJQOU-IRXDYDNUSA-N 1 2 348.443 2.014 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)C3(CCC)CC3)C[C@@H]21 ZINC001177095738 798747141 /nfs/dbraw/zinc/74/71/41/798747141.db2.gz SFIURTNREXINCV-IRXDYDNUSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3(CCC)CC3)C[C@@H]21 ZINC001177095738 798747147 /nfs/dbraw/zinc/74/71/47/798747147.db2.gz SFIURTNREXINCV-IRXDYDNUSA-N 1 2 336.476 2.071 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC(C)(C)C(F)(F)F)C[C@H]21 ZINC001177138970 798767532 /nfs/dbraw/zinc/76/75/32/798767532.db2.gz OIFWANCHZCFLBW-KGLIPLIRSA-N 1 2 346.393 2.290 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC(C)(C)C(F)(F)F)C[C@H]21 ZINC001177138970 798767537 /nfs/dbraw/zinc/76/75/37/798767537.db2.gz OIFWANCHZCFLBW-KGLIPLIRSA-N 1 2 346.393 2.290 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C)cc3)C[C@H]21 ZINC001177140211 798768686 /nfs/dbraw/zinc/76/86/86/798768686.db2.gz XJCUTWXETGLKHW-MOPGFXCFSA-N 1 2 344.455 2.113 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C)cc3)C[C@H]21 ZINC001177140211 798768692 /nfs/dbraw/zinc/76/86/92/798768692.db2.gz XJCUTWXETGLKHW-MOPGFXCFSA-N 1 2 344.455 2.113 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001177163734 798783933 /nfs/dbraw/zinc/78/39/33/798783933.db2.gz WZRXVNLCGQSTFA-RBUKOAKNSA-N 1 2 344.455 2.081 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001177163734 798783939 /nfs/dbraw/zinc/78/39/39/798783939.db2.gz WZRXVNLCGQSTFA-RBUKOAKNSA-N 1 2 344.455 2.081 20 30 EEEDLO C=CCC1(C(=O)N2CC[NH+]([C@H]3CCN(C(=O)CC)C3)CC2)CCCC1 ZINC001065676021 799325308 /nfs/dbraw/zinc/32/53/08/799325308.db2.gz GGUQOMLJGAOKGZ-KRWDZBQOSA-N 1 2 347.503 2.278 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C3CCC3)C2)CC1 ZINC001065676196 799326093 /nfs/dbraw/zinc/32/60/93/799326093.db2.gz GXVWCRTWBHYOCJ-SJLPKXTDSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nc(-c2cccc(OC)c2)no1 ZINC001128413479 799335578 /nfs/dbraw/zinc/33/55/78/799335578.db2.gz FMCRBOCFUGHKGW-UHFFFAOYSA-N 1 2 344.415 2.307 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC(C)C)C2)CC1 ZINC001065682577 799340038 /nfs/dbraw/zinc/34/00/38/799340038.db2.gz JWLCTMZGZRVFSM-KRWDZBQOSA-N 1 2 335.492 2.134 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C3=CCCC3)CC2)C1 ZINC001065704344 799351901 /nfs/dbraw/zinc/35/19/01/799351901.db2.gz LJBXBHIKKVPUAC-SFHVURJKSA-N 1 2 345.487 2.198 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)c3ccccc3)CC2)C1 ZINC001065691247 799365554 /nfs/dbraw/zinc/36/55/54/799365554.db2.gz IVMHBQPWJTZACE-GOSISDBHSA-N 1 2 341.455 2.012 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C(C)=C3CCC3)CC2)C1 ZINC001065691684 799367218 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CCCCc1noc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C#CC(C)C)C2)n1 ZINC001182415326 801169834 /nfs/dbraw/zinc/16/98/34/801169834.db2.gz YZJJKEVCCKNGRC-HUUCEWRRSA-N 1 2 332.448 2.323 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([NH2+]Cc2nc([C@@H](C)OC)no2)C1 ZINC001182841016 801370588 /nfs/dbraw/zinc/37/05/88/801370588.db2.gz DAPKUYYUHJNUHG-UKRRQHHQSA-N 1 2 348.447 2.236 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccnc1C(F)(F)F ZINC001085843353 801415804 /nfs/dbraw/zinc/41/58/04/801415804.db2.gz KBPJRNGKQSCFJO-LBPRGKRZSA-N 1 2 325.334 2.270 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccnc1C(F)(F)F ZINC001085843353 801415811 /nfs/dbraw/zinc/41/58/11/801415811.db2.gz KBPJRNGKQSCFJO-LBPRGKRZSA-N 1 2 325.334 2.270 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085877767 801518745 /nfs/dbraw/zinc/51/87/45/801518745.db2.gz LFAIYPDJVKXYKU-SFHVURJKSA-N 1 2 336.439 2.225 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085877767 801518748 /nfs/dbraw/zinc/51/87/48/801518748.db2.gz LFAIYPDJVKXYKU-SFHVURJKSA-N 1 2 336.439 2.225 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2([C@H]3CCCCO3)CCC2)C1 ZINC001108068769 801575471 /nfs/dbraw/zinc/57/54/71/801575471.db2.gz SOMBEERMKABPNO-AEFFLSMTSA-N 1 2 336.476 2.119 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2([C@H]3CCCCO3)CCC2)C1 ZINC001108068769 801575475 /nfs/dbraw/zinc/57/54/75/801575475.db2.gz SOMBEERMKABPNO-AEFFLSMTSA-N 1 2 336.476 2.119 20 30 EEEDLO CCn1cnc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)c1 ZINC001085928740 801679331 /nfs/dbraw/zinc/67/93/31/801679331.db2.gz GGSJJMFKINIKGS-ZDUSSCGKSA-N 1 2 343.456 2.183 20 30 EEEDLO CCn1cnc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)c1 ZINC001085928740 801679332 /nfs/dbraw/zinc/67/93/32/801679332.db2.gz GGSJJMFKINIKGS-ZDUSSCGKSA-N 1 2 343.456 2.183 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccnc1OCC(C)C ZINC001085932297 801687701 /nfs/dbraw/zinc/68/77/01/801687701.db2.gz USUKRGSMVMHVHP-MRXNPFEDSA-N 1 2 329.444 2.286 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccnc1OCC(C)C ZINC001085932297 801687704 /nfs/dbraw/zinc/68/77/04/801687704.db2.gz USUKRGSMVMHVHP-MRXNPFEDSA-N 1 2 329.444 2.286 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CN(C)C(=O)[C@H]2CC[C@H](C)CC2)C1=O ZINC001085935518 801696812 /nfs/dbraw/zinc/69/68/12/801696812.db2.gz HKHZIFXRCKATRX-XLAORIBOSA-N 1 2 347.503 2.132 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CN(C)C(=O)[C@H]2CC[C@H](C)CC2)C1=O ZINC001085935518 801696819 /nfs/dbraw/zinc/69/68/19/801696819.db2.gz HKHZIFXRCKATRX-XLAORIBOSA-N 1 2 347.503 2.132 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001108069421 801711191 /nfs/dbraw/zinc/71/11/91/801711191.db2.gz DBUDUFIUSUYXID-CTNGQTDRSA-N 1 2 340.467 2.411 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001108069421 801711197 /nfs/dbraw/zinc/71/11/97/801711197.db2.gz DBUDUFIUSUYXID-CTNGQTDRSA-N 1 2 340.467 2.411 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C3CC3)o2)C1 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C=CCCOCC(=O)N1CC[NH+](CCO[C@H]2CCCC[C@H]2C)CC1 ZINC001113710124 809614024 /nfs/dbraw/zinc/61/40/24/809614024.db2.gz HASMBQOLZINRSQ-MSOLQXFVSA-N 1 2 338.492 2.319 20 30 EEEDLO Cc1nsc(N(C)[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c1C#N ZINC001113902373 810039146 /nfs/dbraw/zinc/03/91/46/810039146.db2.gz IDDFWRJAWBHHIL-RYUDHWBXSA-N 1 2 346.460 2.112 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CC[C@H]1C ZINC001114031812 810218434 /nfs/dbraw/zinc/21/84/34/810218434.db2.gz WWTYBKFKDPKHGU-DYVFJYSZSA-N 1 2 346.475 2.326 20 30 EEEDLO CC(C)(C)C#CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnc(Cl)s3)C[C@H]21 ZINC001114260742 810702575 /nfs/dbraw/zinc/70/25/75/810702575.db2.gz SKPHEHQGWFBYHZ-IMRBUKKESA-N 1 2 337.876 2.392 20 30 EEEDLO CC(C)(C)C#CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnc(Cl)s3)C[C@H]21 ZINC001114260742 810702582 /nfs/dbraw/zinc/70/25/82/810702582.db2.gz SKPHEHQGWFBYHZ-IMRBUKKESA-N 1 2 337.876 2.392 20 30 EEEDLO C[N@H+](CC(F)F)C1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000804535428 810914721 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2.396 20 30 EEEDLO Cc1ncc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)c(C2CC2)n1 ZINC001442586361 1096953718 /nfs/dbraw/zinc/95/37/18/1096953718.db2.gz BRJDRXQXCFCHOJ-UHFFFAOYSA-N 1 2 349.438 2.396 20 30 EEEDLO C[C@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)c1ccc2[nH]nnc2c1 ZINC001496231563 1100792631 /nfs/dbraw/zinc/79/26/31/1100792631.db2.gz GHSQGACHVRQHCI-CYBMUJFWSA-N 1 2 348.410 2.080 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)COc2ccccc2F)C1 ZINC001448364360 1104463334 /nfs/dbraw/zinc/46/33/34/1104463334.db2.gz VOWXZRZMNIHGQF-GFCCVEGCSA-N 1 2 326.799 2.394 20 30 EEEDLO COCC[N@H+](CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1nc2ccccc2o1 ZINC001508044163 1115400015 /nfs/dbraw/zinc/40/00/15/1115400015.db2.gz WMZQOLOFZSIBEH-KBPBESRZSA-N 1 2 344.415 2.113 20 30 EEEDLO COCC[N@@H+](CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1nc2ccccc2o1 ZINC001508044163 1115400016 /nfs/dbraw/zinc/40/00/16/1115400016.db2.gz WMZQOLOFZSIBEH-KBPBESRZSA-N 1 2 344.415 2.113 20 30 EEEDLO CC[N@@H+](CC(=O)N1CCc2cc(OC)c(OC)cc2C1)C[C@H](C)C#N ZINC000049982456 214038936 /nfs/dbraw/zinc/03/89/36/214038936.db2.gz JGIJETHVIFSXEA-CQSZACIVSA-N 1 2 345.443 2.070 20 30 EEEDLO CC[N@H+](CC(=O)N1CCc2cc(OC)c(OC)cc2C1)C[C@H](C)C#N ZINC000049982456 214038938 /nfs/dbraw/zinc/03/89/38/214038938.db2.gz JGIJETHVIFSXEA-CQSZACIVSA-N 1 2 345.443 2.070 20 30 EEEDLO O=C(Cc1ccsc1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000328940615 539763907 /nfs/dbraw/zinc/76/39/07/539763907.db2.gz SLQKAKRDNCNZBS-UHFFFAOYSA-N 1 2 335.473 2.191 20 30 EEEDLO CCc1cc(=O)c2cc(NC(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)ccc2[nH]1 ZINC000329064042 539766185 /nfs/dbraw/zinc/76/61/85/539766185.db2.gz VOVKHSHCVYZVEM-BBRMVZONSA-N 1 2 329.400 2.398 20 30 EEEDLO CCc1cc(=O)c2cc(NC(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)ccc2[nH]1 ZINC000329064042 539766188 /nfs/dbraw/zinc/76/61/88/539766188.db2.gz VOVKHSHCVYZVEM-BBRMVZONSA-N 1 2 329.400 2.398 20 30 EEEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@H]2CC2(C)C)CC1 ZINC000329355064 539772726 /nfs/dbraw/zinc/77/27/26/539772726.db2.gz YUHYNRDOCVTCIB-OAHLLOKOSA-N 1 2 333.480 2.115 20 30 EEEDLO COc1cc(C#N)ccc1OCC(=O)NCc1c[nH+]c(C)cc1C ZINC000456838812 244370330 /nfs/dbraw/zinc/37/03/30/244370330.db2.gz CSUMZIYZJOVWOD-UHFFFAOYSA-N 1 2 325.368 2.274 20 30 EEEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000456842718 244370349 /nfs/dbraw/zinc/37/03/49/244370349.db2.gz RGAUSBPDDBXJGQ-CZUORRHYSA-N 1 2 338.386 2.481 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000267533793 251133766 /nfs/dbraw/zinc/13/37/66/251133766.db2.gz XBEWEDVSUOEWNS-UHFFFAOYSA-N 1 2 327.211 2.480 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3Cc4ccccc4O3)n2C2CC2)CC1 ZINC000491787062 533159874 /nfs/dbraw/zinc/15/98/74/533159874.db2.gz VRKCOWGFOQUZPF-SFHVURJKSA-N 1 2 349.438 2.044 20 30 EEEDLO C#C[C@@H](C)N(C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000491816370 533223121 /nfs/dbraw/zinc/22/31/21/533223121.db2.gz SEDBETFBEMCRNJ-CJNGLKHVSA-N 1 2 326.400 2.181 20 30 EEEDLO N#Cc1ccccc1N1CCCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000302771946 258016284 /nfs/dbraw/zinc/01/62/84/258016284.db2.gz CIYXAJUXCUGDGF-UHFFFAOYSA-N 1 2 328.807 2.301 20 30 EEEDLO N#Cc1ccccc1N1CCCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000302771946 258016286 /nfs/dbraw/zinc/01/62/86/258016286.db2.gz CIYXAJUXCUGDGF-UHFFFAOYSA-N 1 2 328.807 2.301 20 30 EEEDLO COc1ccc(C[NH+]2CCN(CC#N)CC2)cc1OCCCC#N ZINC000092936472 533560911 /nfs/dbraw/zinc/56/09/11/533560911.db2.gz HYLVNAQTYZHTMH-UHFFFAOYSA-N 1 2 328.416 2.019 20 30 EEEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)/C=C/c2cccc(C#N)c2)no1 ZINC000065758201 292156092 /nfs/dbraw/zinc/15/60/92/292156092.db2.gz XDWLKDWDITZBGF-CMDGGOBGSA-N 1 2 339.399 2.068 20 30 EEEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccccc2OC(F)F)C(N)=O)cc1 ZINC000115596084 152033063 /nfs/dbraw/zinc/03/30/63/152033063.db2.gz IXAKKCPOINTNFB-HNNXBMFYSA-N 1 2 331.322 2.476 20 30 EEEDLO CCN(C)c1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cn1 ZINC000191218662 152243654 /nfs/dbraw/zinc/24/36/54/152243654.db2.gz YNWBZHZUYBXJNW-UHFFFAOYSA-N 1 2 336.443 2.127 20 30 EEEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000077248089 159098307 /nfs/dbraw/zinc/09/83/07/159098307.db2.gz JNWVFAFZUGPUKO-UHFFFAOYSA-N 1 2 343.349 2.126 20 30 EEEDLO Cc1c[nH+]ccc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000107291880 159329742 /nfs/dbraw/zinc/32/97/42/159329742.db2.gz UJSQENITCLNQCO-UHFFFAOYSA-N 1 2 334.383 2.493 20 30 EEEDLO C[C@@H]1CCCN1C(=O)CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341810441 161015170 /nfs/dbraw/zinc/01/51/70/161015170.db2.gz OEHBKQUWBQPREM-QAPCUYQASA-N 1 2 327.428 2.333 20 30 EEEDLO C[C@@H]1CCCN1C(=O)CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341810441 161015171 /nfs/dbraw/zinc/01/51/71/161015171.db2.gz OEHBKQUWBQPREM-QAPCUYQASA-N 1 2 327.428 2.333 20 30 EEEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C(N)=O)cc1 ZINC000342442055 161065935 /nfs/dbraw/zinc/06/59/35/161065935.db2.gz UJRQTQUSUSKAIY-HNNXBMFYSA-N 1 2 344.758 2.436 20 30 EEEDLO COc1cc(C[NH2+][C@@H](C)c2nnnn2-c2ccccc2)ccc1C#N ZINC000357296583 163671186 /nfs/dbraw/zinc/67/11/86/163671186.db2.gz LHSAEZKJFGZSQM-ZDUSSCGKSA-N 1 2 334.383 2.393 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC([C@H](C)NC(C)=O)CC1 ZINC000360310683 164281811 /nfs/dbraw/zinc/28/18/11/164281811.db2.gz PPGQKENRNRBMTL-UGSOOPFHSA-N 1 2 343.427 2.009 20 30 EEEDLO N#Cc1ccc(SCC(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1 ZINC000374373349 167027927 /nfs/dbraw/zinc/02/79/27/167027927.db2.gz IAENJWJAQWUXAD-KRWDZBQOSA-N 1 2 338.436 2.218 20 30 EEEDLO CCN(CCNc1snc(C)c1C#N)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001106967745 782019803 /nfs/dbraw/zinc/01/98/03/782019803.db2.gz XWUVYDSFUBTPRL-NSHDSACASA-N 1 2 346.460 2.186 20 30 EEEDLO CCN(CCNc1snc(C)c1C#N)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001106967745 782019812 /nfs/dbraw/zinc/01/98/12/782019812.db2.gz XWUVYDSFUBTPRL-NSHDSACASA-N 1 2 346.460 2.186 20 30 EEEDLO C[C@@H](O)C[N@@H+]1CCN(c2ccc(C#N)cc2Br)C[C@H]1C ZINC000123648493 222310364 /nfs/dbraw/zinc/31/03/64/222310364.db2.gz UHBFWFGUCSQWKV-VXGBXAGGSA-N 1 2 338.249 2.212 20 30 EEEDLO C[C@@H](O)C[N@H+]1CCN(c2ccc(C#N)cc2Br)C[C@H]1C ZINC000123648493 222310366 /nfs/dbraw/zinc/31/03/66/222310366.db2.gz UHBFWFGUCSQWKV-VXGBXAGGSA-N 1 2 338.249 2.212 20 30 EEEDLO N#Cc1ccc(F)c(CS(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000332410721 270018968 /nfs/dbraw/zinc/01/89/68/270018968.db2.gz QZKXJUUHQHQPJC-UHFFFAOYSA-N 1 2 348.403 2.130 20 30 EEEDLO N#Cc1cccc(F)c1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000505898791 270021595 /nfs/dbraw/zinc/02/15/95/270021595.db2.gz REAFMYDIGSFFLI-UHFFFAOYSA-N 1 2 327.359 2.177 20 30 EEEDLO CC1CC[NH+](Cc2csc(NC(=O)c3cnn(C)c3C#N)n2)CC1 ZINC000530529280 266990046 /nfs/dbraw/zinc/99/00/46/266990046.db2.gz PQYJKTWSFMKHJZ-UHFFFAOYSA-N 1 2 344.444 2.232 20 30 EEEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000451924552 267259746 /nfs/dbraw/zinc/25/97/46/267259746.db2.gz DFMLCIGOGJFJEQ-NSHDSACASA-N 1 2 336.392 2.094 20 30 EEEDLO N#Cc1ccc(CNC(=O)c2ccccc2C[NH+]2CCOCC2)s1 ZINC000421602055 268231766 /nfs/dbraw/zinc/23/17/66/268231766.db2.gz QYQKNOBNDAHUHR-UHFFFAOYSA-N 1 2 341.436 2.382 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)Nc2ccc(F)cc2C#N)CCO1 ZINC000275402382 269113533 /nfs/dbraw/zinc/11/35/33/269113533.db2.gz BZMRKLXNAJPOMP-XJKSGUPXSA-N 1 2 343.362 2.473 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280256541 269343237 /nfs/dbraw/zinc/34/32/37/269343237.db2.gz BUWKXZGAOANEDF-AUUYWEPGSA-N 1 2 343.427 2.155 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280256541 269343238 /nfs/dbraw/zinc/34/32/38/269343238.db2.gz BUWKXZGAOANEDF-AUUYWEPGSA-N 1 2 343.427 2.155 20 30 EEEDLO Cc1cc(C#N)cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000455963386 301073455 /nfs/dbraw/zinc/07/34/55/301073455.db2.gz BNWYMDMZWJJCFV-QGZVFWFLSA-N 1 2 328.416 2.195 20 30 EEEDLO Cc1noc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000543509860 318160648 /nfs/dbraw/zinc/16/06/48/318160648.db2.gz ZPTUYTPUKHAYKL-DTWKUNHWSA-N 1 2 345.428 2.478 20 30 EEEDLO CC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)C[C@H](O)C(F)(F)F ZINC000548294029 318372074 /nfs/dbraw/zinc/37/20/74/318372074.db2.gz LSDDEWQYEWHQFL-ZDUSSCGKSA-N 1 2 330.306 2.090 20 30 EEEDLO CC[N@H+](Cc1cccc(C(=O)OC)c1C#N)C[C@H](O)C(F)(F)F ZINC000548294029 318372076 /nfs/dbraw/zinc/37/20/76/318372076.db2.gz LSDDEWQYEWHQFL-ZDUSSCGKSA-N 1 2 330.306 2.090 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)C1CC1 ZINC000556818734 318651636 /nfs/dbraw/zinc/65/16/36/318651636.db2.gz LFFRFSVOCXDUIC-OAHLLOKOSA-N 1 2 348.403 2.002 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCc1ccc(C#N)c(F)c1)C1CC1 ZINC000565464271 319184736 /nfs/dbraw/zinc/18/47/36/319184736.db2.gz RFSCUQGWJAAPGH-HNNXBMFYSA-N 1 2 327.363 2.381 20 30 EEEDLO O=C(NC1CC1)[C@@H]1CCCN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328773598 465123933 /nfs/dbraw/zinc/12/39/33/465123933.db2.gz RVXWRTGKSOWEKH-JSGCOSHPSA-N 1 2 331.420 2.258 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296679367 465229342 /nfs/dbraw/zinc/22/93/42/465229342.db2.gz BFKKWPKORYYBOG-QLFBSQMISA-N 1 2 332.448 2.494 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N(CC)C2CCCCC2)C1=O ZINC000337225542 465254412 /nfs/dbraw/zinc/25/44/12/465254412.db2.gz OKAXEXFENIWTDG-WBVHZDCISA-N 1 2 335.492 2.275 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N(CC)C2CCCCC2)C1=O ZINC000337225542 465254418 /nfs/dbraw/zinc/25/44/18/465254418.db2.gz OKAXEXFENIWTDG-WBVHZDCISA-N 1 2 335.492 2.275 20 30 EEEDLO C=CC[C@H](CO)CNC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000341808021 465262535 /nfs/dbraw/zinc/26/25/35/465262535.db2.gz NJTRUCJFMPIRCC-HNNXBMFYSA-N 1 2 330.432 2.219 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cccc(C#N)c1)C(C)(C)CO ZINC000297789787 465270294 /nfs/dbraw/zinc/27/02/94/465270294.db2.gz NDHTVKUDIRHGBI-CQSZACIVSA-N 1 2 327.388 2.173 20 30 EEEDLO O=C(N[C@H]1CCCS(=O)(=O)C1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000329351690 465309379 /nfs/dbraw/zinc/30/93/79/465309379.db2.gz UHYLWAXIUXJHBW-JKSUJKDBSA-N 1 2 336.457 2.185 20 30 EEEDLO O=C(N[C@H]1CCCS(=O)(=O)C1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000329351690 465309383 /nfs/dbraw/zinc/30/93/83/465309383.db2.gz UHYLWAXIUXJHBW-JKSUJKDBSA-N 1 2 336.457 2.185 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351817187 465378015 /nfs/dbraw/zinc/37/80/15/465378015.db2.gz VMDNGNWBCQEOMJ-UMVBOHGHSA-N 1 2 333.457 2.189 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351817187 465378019 /nfs/dbraw/zinc/37/80/19/465378019.db2.gz VMDNGNWBCQEOMJ-UMVBOHGHSA-N 1 2 333.457 2.189 20 30 EEEDLO CC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000329722560 465416497 /nfs/dbraw/zinc/41/64/97/465416497.db2.gz BATXVNKMPMHVGP-QGZVFWFLSA-N 1 2 345.443 2.100 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)NC2CCCCCC2)cc1OC ZINC000060552729 462557178 /nfs/dbraw/zinc/55/71/78/462557178.db2.gz JXFGDSULAIOEBG-UHFFFAOYSA-N 1 2 349.431 2.180 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N[C@H](C)c2ccccc2)cs1 ZINC000063456909 462646077 /nfs/dbraw/zinc/64/60/77/462646077.db2.gz OEVGTGJFYZHZGI-LLVKDONJSA-N 1 2 332.429 2.160 20 30 EEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117765792 462812537 /nfs/dbraw/zinc/81/25/37/462812537.db2.gz SSYBONNIXNWYTK-HNNXBMFYSA-N 1 2 344.434 2.241 20 30 EEEDLO Cc1[nH+]c2cc(NC(=O)C(=O)NCc3cccc(C#N)c3)ccc2n1C ZINC000076238244 462827414 /nfs/dbraw/zinc/82/74/14/462827414.db2.gz GIMYVKHVMCHHNQ-UHFFFAOYSA-N 1 2 347.378 2.008 20 30 EEEDLO COCCCOCC[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000091102834 462837386 /nfs/dbraw/zinc/83/73/86/462837386.db2.gz MXMCKWSMPJQQKV-UHFFFAOYSA-N 1 2 330.388 2.093 20 30 EEEDLO COCCCOCC[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000091102834 462837392 /nfs/dbraw/zinc/83/73/92/462837392.db2.gz MXMCKWSMPJQQKV-UHFFFAOYSA-N 1 2 330.388 2.093 20 30 EEEDLO C=CCSCCNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000076571706 462879989 /nfs/dbraw/zinc/87/99/89/462879989.db2.gz JIWXFNDDSAEBQV-UHFFFAOYSA-N 1 2 349.500 2.442 20 30 EEEDLO COc1ccccc1C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000052182929 463066546 /nfs/dbraw/zinc/06/65/46/463066546.db2.gz WBVCYWXZONSRBC-IBGZPJMESA-N 1 2 327.428 2.468 20 30 EEEDLO COc1ccccc1C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000052182929 463066553 /nfs/dbraw/zinc/06/65/53/463066553.db2.gz WBVCYWXZONSRBC-IBGZPJMESA-N 1 2 327.428 2.468 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC=C(C(F)(F)F)CC3)C2=O)cc1 ZINC000535990467 468338356 /nfs/dbraw/zinc/33/83/56/468338356.db2.gz BOVPDRCQOUEIBP-AWEZNQCLSA-N 1 2 349.312 2.385 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC=C(C(F)(F)F)CC3)C2=O)cc1 ZINC000535990467 468338362 /nfs/dbraw/zinc/33/83/62/468338362.db2.gz BOVPDRCQOUEIBP-AWEZNQCLSA-N 1 2 349.312 2.385 20 30 EEEDLO COc1ccc(CN2CC[NH+](Cc3c(C)noc3C)CC2)cc1C#N ZINC000135176560 463127282 /nfs/dbraw/zinc/12/72/82/463127282.db2.gz AQQOPMWKPKOCGQ-UHFFFAOYSA-N 1 2 340.427 2.490 20 30 EEEDLO COc1ccc(C[NH+]2CCN(Cc3c(C)noc3C)CC2)cc1C#N ZINC000135176560 463127289 /nfs/dbraw/zinc/12/72/89/463127289.db2.gz AQQOPMWKPKOCGQ-UHFFFAOYSA-N 1 2 340.427 2.490 20 30 EEEDLO C[C@@H]1CCCN(C(=O)C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1 ZINC000121543269 463154185 /nfs/dbraw/zinc/15/41/85/463154185.db2.gz HZUVJIBQYABCSV-MJGOQNOKSA-N 1 2 340.471 2.127 20 30 EEEDLO C#C[C@H](C)N(C)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000491278593 468340523 /nfs/dbraw/zinc/34/05/23/468340523.db2.gz UJCCMEZSLUXXKE-WMZOPIPTSA-N 1 2 329.444 2.031 20 30 EEEDLO CC(C)Oc1ccc(NC(=O)N(C)CC[NH+]2CCOCC2)cc1C#N ZINC000157872184 463180055 /nfs/dbraw/zinc/18/00/55/463180055.db2.gz KRRSBAXRZYSQIV-UHFFFAOYSA-N 1 2 346.431 2.141 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000158166228 463211273 /nfs/dbraw/zinc/21/12/73/463211273.db2.gz UHZZRLCVDZUKTQ-MRXNPFEDSA-N 1 2 345.468 2.107 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000158166228 463211278 /nfs/dbraw/zinc/21/12/78/463211278.db2.gz UHZZRLCVDZUKTQ-MRXNPFEDSA-N 1 2 345.468 2.107 20 30 EEEDLO C[C@H](C1CC1)N(C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2)C1CC1 ZINC000158208293 463216164 /nfs/dbraw/zinc/21/61/64/463216164.db2.gz ZPUMZMCRHALTNO-GFCCVEGCSA-N 1 2 343.427 2.048 20 30 EEEDLO C=CCNC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000029318958 463252763 /nfs/dbraw/zinc/25/27/63/463252763.db2.gz YTXPPCPVTNGWQY-HNNXBMFYSA-N 1 2 330.388 2.012 20 30 EEEDLO N#CC1CC[NH+](CC(=O)NCCc2nc3ccccc3s2)CC1 ZINC000142061974 463357806 /nfs/dbraw/zinc/35/78/06/463357806.db2.gz IVXPJLZYCRZVSB-UHFFFAOYSA-N 1 2 328.441 2.191 20 30 EEEDLO Cc1ccc([C@@H](CNC(=O)N(C)C[C@@H](C)C#N)[NH+]2CCOCC2)cc1 ZINC000057011794 463442936 /nfs/dbraw/zinc/44/29/36/463442936.db2.gz LCUMKTVEZOIFND-FUHWJXTLSA-N 1 2 344.459 2.169 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)CC1 ZINC000081731007 463485483 /nfs/dbraw/zinc/48/54/83/463485483.db2.gz DRIIOUZBNJHZKF-UHFFFAOYSA-N 1 2 345.353 2.034 20 30 EEEDLO CN(C(=O)C[N@H+](C)CC(=O)NC1(C#N)CCCCC1)C1CCCCC1 ZINC000041623357 463498592 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Cc1nsc(N2CCN(Cc3cccc4[nH+]ccn43)CC2)c1C#N ZINC000291642115 464157831 /nfs/dbraw/zinc/15/78/31/464157831.db2.gz TVQHWCCHHIEZSF-UHFFFAOYSA-N 1 2 338.440 2.293 20 30 EEEDLO C=C(C)CS(=O)(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000280539914 464217472 /nfs/dbraw/zinc/21/74/72/464217472.db2.gz HUEYJTBVLPNRQP-MRXNPFEDSA-N 1 2 340.514 2.100 20 30 EEEDLO C=C(C)CS(=O)(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000280539914 464217474 /nfs/dbraw/zinc/21/74/74/464217474.db2.gz HUEYJTBVLPNRQP-MRXNPFEDSA-N 1 2 340.514 2.100 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000280996712 464292894 /nfs/dbraw/zinc/29/28/94/464292894.db2.gz NMXJUZUCNBSNLR-WMLDXEAASA-N 1 2 328.416 2.423 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000280996715 464293190 /nfs/dbraw/zinc/29/31/90/464293190.db2.gz NMXJUZUCNBSNLR-YOEHRIQHSA-N 1 2 328.416 2.423 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1=O ZINC000281199750 464368286 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347.484 2.225 20 30 EEEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000175389544 464537560 /nfs/dbraw/zinc/53/75/60/464537560.db2.gz UVHFDKXVYGXNFJ-XMYANBKOSA-N 1 2 347.484 2.225 20 30 EEEDLO C=CCCCCCN(C)C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000285366403 464539372 /nfs/dbraw/zinc/53/93/72/464539372.db2.gz VUBQZIFCEBUWTK-UHFFFAOYSA-N 1 2 332.448 2.205 20 30 EEEDLO Cc1ccc(N2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)cc1 ZINC000273505065 464718746 /nfs/dbraw/zinc/71/87/46/464718746.db2.gz IHIHKCMFZOEZDQ-UHFFFAOYSA-N 1 2 340.471 2.460 20 30 EEEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)NC[C@@H](C)C#N)CC2)c1 ZINC000182840205 464739497 /nfs/dbraw/zinc/73/94/97/464739497.db2.gz YOMWKGCXIVUYKC-GJZGRUSLSA-N 1 2 330.432 2.243 20 30 EEEDLO Cc1cccc2[nH+]c(CN3CCN(c4nccnc4C#N)C[C@@H]3C)cn21 ZINC000176374717 464760159 /nfs/dbraw/zinc/76/01/59/464760159.db2.gz VEWFQLHYMRVVMS-HNNXBMFYSA-N 1 2 347.426 2.015 20 30 EEEDLO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1nncn1C ZINC000275201282 464766431 /nfs/dbraw/zinc/76/64/31/464766431.db2.gz QLXZBCIXJUIFIT-GFCCVEGCSA-N 1 2 346.822 2.066 20 30 EEEDLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000249043974 464833243 /nfs/dbraw/zinc/83/32/43/464833243.db2.gz HDZKMZQDHSFIOB-IFXJQAMLSA-N 1 2 344.434 2.145 20 30 EEEDLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000249043974 464833249 /nfs/dbraw/zinc/83/32/49/464833249.db2.gz HDZKMZQDHSFIOB-IFXJQAMLSA-N 1 2 344.434 2.145 20 30 EEEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000286197752 464835462 /nfs/dbraw/zinc/83/54/62/464835462.db2.gz RDIJTKMCSJDHAA-LJQANCHMSA-N 1 2 345.443 2.288 20 30 EEEDLO CNc1cc(N2CCC[C@H]2CNC(=O)C2CCC(=O)CC2)nc[nH+]1 ZINC000329962586 465488490 /nfs/dbraw/zinc/48/84/90/465488490.db2.gz SEXFCTMMHHEAGQ-ZDUSSCGKSA-N 1 2 331.420 2.203 20 30 EEEDLO CNc1cc(N2CCC[C@H]2CNC(=O)C2CCC(=O)CC2)[nH+]cn1 ZINC000329962586 465488491 /nfs/dbraw/zinc/48/84/91/465488491.db2.gz SEXFCTMMHHEAGQ-ZDUSSCGKSA-N 1 2 331.420 2.203 20 30 EEEDLO Cc1nc(N2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)cc[nH+]1 ZINC000183891304 464923012 /nfs/dbraw/zinc/92/30/12/464923012.db2.gz MLRYAIAPADNKSL-UHFFFAOYSA-N 1 2 336.399 2.205 20 30 EEEDLO C[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000267558497 464936355 /nfs/dbraw/zinc/93/63/55/464936355.db2.gz ZRXFIQSCYIQXLG-PBHICJAKSA-N 1 2 346.450 2.391 20 30 EEEDLO C#CCC1(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CCCCC1 ZINC000276519142 464963813 /nfs/dbraw/zinc/96/38/13/464963813.db2.gz BZCVXPOCMWEPST-UHFFFAOYSA-N 1 2 326.444 2.407 20 30 EEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1CCN(CC(F)(F)F)CC1 ZINC000329389554 465319684 /nfs/dbraw/zinc/31/96/84/465319684.db2.gz RWFPFKCJWOHTDZ-GFCCVEGCSA-N 1 2 330.354 2.429 20 30 EEEDLO CC[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1[nH]cc[nH+]1 ZINC000347974864 465346997 /nfs/dbraw/zinc/34/69/97/465346997.db2.gz VNNYSAAAOPYBIV-AWEZNQCLSA-N 1 2 327.388 2.199 20 30 EEEDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)[nH]1 ZINC000329483867 465347961 /nfs/dbraw/zinc/34/79/61/465347961.db2.gz SCVDFCHUEHTNQU-LBPRGKRZSA-N 1 2 343.387 2.309 20 30 EEEDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)[nH]1 ZINC000329483867 465347967 /nfs/dbraw/zinc/34/79/67/465347967.db2.gz SCVDFCHUEHTNQU-LBPRGKRZSA-N 1 2 343.387 2.309 20 30 EEEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)n1 ZINC000329483867 465347973 /nfs/dbraw/zinc/34/79/73/465347973.db2.gz SCVDFCHUEHTNQU-LBPRGKRZSA-N 1 2 343.387 2.309 20 30 EEEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)n1 ZINC000329483867 465347981 /nfs/dbraw/zinc/34/79/81/465347981.db2.gz SCVDFCHUEHTNQU-LBPRGKRZSA-N 1 2 343.387 2.309 20 30 EEEDLO CCC(CC)[C@H](C(=O)N[C@H]1CCc2c[nH]nc2C1)[NH+]1CCOCC1 ZINC000329834599 465447780 /nfs/dbraw/zinc/44/77/80/465447780.db2.gz GZGYBIHNTMCDDZ-DOTOQJQBSA-N 1 2 334.464 2.361 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC ZINC000339763424 465496423 /nfs/dbraw/zinc/49/64/23/465496423.db2.gz MJJQWNAMOAHZNR-KRWDZBQOSA-N 1 2 330.428 2.322 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC ZINC000339763424 465496425 /nfs/dbraw/zinc/49/64/25/465496425.db2.gz MJJQWNAMOAHZNR-KRWDZBQOSA-N 1 2 330.428 2.322 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000352235897 465508787 /nfs/dbraw/zinc/50/87/87/465508787.db2.gz AAYNGYIFSCQKHE-OAHLLOKOSA-N 1 2 349.500 2.253 20 30 EEEDLO COc1cc[nH+]cc1CNC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000348267849 465521105 /nfs/dbraw/zinc/52/11/05/465521105.db2.gz DGYHATSLIVLJIQ-UHFFFAOYSA-N 1 2 333.351 2.078 20 30 EEEDLO C=CCCCCNC(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000343650810 465540051 /nfs/dbraw/zinc/54/00/51/465540051.db2.gz CBVPVYHCHOMGMR-YJBOKZPZSA-N 1 2 344.459 2.335 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000352670663 465545782 /nfs/dbraw/zinc/54/57/82/465545782.db2.gz HTBWXJVZJRAHNE-WSTZPKSXSA-N 1 2 347.455 2.035 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000352670663 465545788 /nfs/dbraw/zinc/54/57/88/465545788.db2.gz HTBWXJVZJRAHNE-WSTZPKSXSA-N 1 2 347.455 2.035 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccc(CO)o1 ZINC000352790771 465555543 /nfs/dbraw/zinc/55/55/43/465555543.db2.gz GGBOIJNMALASAS-SFHVURJKSA-N 1 2 333.432 2.204 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccc(CO)o1 ZINC000352790771 465555548 /nfs/dbraw/zinc/55/55/48/465555548.db2.gz GGBOIJNMALASAS-SFHVURJKSA-N 1 2 333.432 2.204 20 30 EEEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N1CC2(C1)CCCC2 ZINC000330270640 465593475 /nfs/dbraw/zinc/59/34/75/465593475.db2.gz UOOMXZSVQZTKMN-UHFFFAOYSA-N 1 2 330.432 2.208 20 30 EEEDLO C=CCOC[C@@H]1NC(=O)N(CCC[N@@H+](CC)c2ccccc2)C1=O ZINC000348502275 465638441 /nfs/dbraw/zinc/63/84/41/465638441.db2.gz RXFHXVSLUFDLEW-INIZCTEOSA-N 1 2 331.416 2.026 20 30 EEEDLO C=CCOC[C@@H]1NC(=O)N(CCC[N@H+](CC)c2ccccc2)C1=O ZINC000348502275 465638444 /nfs/dbraw/zinc/63/84/44/465638444.db2.gz RXFHXVSLUFDLEW-INIZCTEOSA-N 1 2 331.416 2.026 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000348580267 465698186 /nfs/dbraw/zinc/69/81/86/465698186.db2.gz XUZOWXXRTKZPFY-XWCIJXRUSA-N 1 2 335.452 2.461 20 30 EEEDLO C/C(=C\C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000299563950 465803346 /nfs/dbraw/zinc/80/33/46/465803346.db2.gz VYSUKNUWNFSXCW-WUKNDPDISA-N 1 2 327.428 2.164 20 30 EEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCCCCCCC)CC1 ZINC000371609018 465899354 /nfs/dbraw/zinc/89/93/54/465899354.db2.gz WDHRNVWQULXTHR-UHFFFAOYSA-N 1 2 349.519 2.411 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCCCCCCC)CC1 ZINC000371609018 465899357 /nfs/dbraw/zinc/89/93/57/465899357.db2.gz WDHRNVWQULXTHR-UHFFFAOYSA-N 1 2 349.519 2.411 20 30 EEEDLO CSc1nc(C(C)C)nc(C)c1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000331026953 465904219 /nfs/dbraw/zinc/90/42/19/465904219.db2.gz BXSVSVNZBIJYBJ-GFCCVEGCSA-N 1 2 338.477 2.266 20 30 EEEDLO CSc1nc(C(C)C)nc(C)c1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000331026953 465904225 /nfs/dbraw/zinc/90/42/25/465904225.db2.gz BXSVSVNZBIJYBJ-GFCCVEGCSA-N 1 2 338.477 2.266 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000345836426 465907499 /nfs/dbraw/zinc/90/74/99/465907499.db2.gz TZONSPUWRICWLS-HKUYNNGSSA-N 1 2 344.455 2.321 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](CCO)Cc2cnn(CC)c2)c1C ZINC000361344669 465923481 /nfs/dbraw/zinc/92/34/81/465923481.db2.gz FWZCQNYLLDOESU-UHFFFAOYSA-N 1 2 344.459 2.185 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+](CCO)Cc2cnn(CC)c2)c1C ZINC000361344669 465923487 /nfs/dbraw/zinc/92/34/87/465923487.db2.gz FWZCQNYLLDOESU-UHFFFAOYSA-N 1 2 344.459 2.185 20 30 EEEDLO CCC(=O)c1cccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1 ZINC000331161960 465962822 /nfs/dbraw/zinc/96/28/22/465962822.db2.gz GHMONQQKVVNVHF-KGLIPLIRSA-N 1 2 333.432 2.212 20 30 EEEDLO CCC(=O)c1cccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1 ZINC000331161960 465962830 /nfs/dbraw/zinc/96/28/30/465962830.db2.gz GHMONQQKVVNVHF-KGLIPLIRSA-N 1 2 333.432 2.212 20 30 EEEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC(F)(F)[C@H](CO)C3)o2)c1 ZINC000361403744 465965495 /nfs/dbraw/zinc/96/54/95/465965495.db2.gz PQYCISOHAPHUTO-ZDUSSCGKSA-N 1 2 334.326 2.058 20 30 EEEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC(F)(F)[C@H](CO)C3)o2)c1 ZINC000361403744 465965499 /nfs/dbraw/zinc/96/54/99/465965499.db2.gz PQYCISOHAPHUTO-ZDUSSCGKSA-N 1 2 334.326 2.058 20 30 EEEDLO Cc1cc(C)c(C#N)c(NC[C@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000363216147 466287892 /nfs/dbraw/zinc/28/78/92/466287892.db2.gz CJGVJZZKAQDYPZ-QGZVFWFLSA-N 1 2 332.473 2.190 20 30 EEEDLO C=C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000340812338 466355533 /nfs/dbraw/zinc/35/55/33/466355533.db2.gz BFDWQHCRCCZNKM-GFCCVEGCSA-N 1 2 326.400 2.392 20 30 EEEDLO N#Cc1ccccc1N1CC[NH+](Cc2nc(-c3ccccn3)no2)CC1 ZINC000363453411 466414396 /nfs/dbraw/zinc/41/43/96/466414396.db2.gz XDVRQROZTFRVSO-UHFFFAOYSA-N 1 2 346.394 2.325 20 30 EEEDLO CCc1nc(C#N)cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000308165452 466499425 /nfs/dbraw/zinc/49/94/25/466499425.db2.gz HIJLJEBRBXUFPA-QGZVFWFLSA-N 1 2 337.427 2.224 20 30 EEEDLO CCc1nc(C#N)cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000308165452 466499433 /nfs/dbraw/zinc/49/94/33/466499433.db2.gz HIJLJEBRBXUFPA-QGZVFWFLSA-N 1 2 337.427 2.224 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000309732492 466503114 /nfs/dbraw/zinc/50/31/14/466503114.db2.gz PNKNXKYQIMISGZ-CQSZACIVSA-N 1 2 347.465 2.173 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000309732492 466503123 /nfs/dbraw/zinc/50/31/23/466503123.db2.gz PNKNXKYQIMISGZ-CQSZACIVSA-N 1 2 347.465 2.173 20 30 EEEDLO Cc1cc(CNC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc(C)[nH+]1 ZINC000421425192 466655685 /nfs/dbraw/zinc/65/56/85/466655685.db2.gz YALSFDPACKJUPJ-AWEZNQCLSA-N 1 2 336.395 2.064 20 30 EEEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2cccc(CC#N)c2)cn1 ZINC000408516710 466672853 /nfs/dbraw/zinc/67/28/53/466672853.db2.gz QVCGDDAYRPTHCX-UHFFFAOYSA-N 1 2 348.410 2.025 20 30 EEEDLO Cc1[nH+]c2ccccc2n1C1CCN(S(=O)(=O)[C@@H](C)C#N)CC1 ZINC000416475714 466736057 /nfs/dbraw/zinc/73/60/57/466736057.db2.gz KODLGXZSPKGZQU-LBPRGKRZSA-N 1 2 332.429 2.224 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2csnn2)c(OC)c1 ZINC000412025172 466968869 /nfs/dbraw/zinc/96/88/69/466968869.db2.gz HUYVEYIBMYEVIH-TZMCWYRMSA-N 1 2 349.456 2.366 20 30 EEEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CCOCC1 ZINC000424562244 467067668 /nfs/dbraw/zinc/06/76/68/467067668.db2.gz NSRHIBXFQWLYMT-UHFFFAOYSA-N 1 2 329.444 2.099 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000425481797 467098078 /nfs/dbraw/zinc/09/80/78/467098078.db2.gz GHWMQHUQUGIPQJ-NWDGAFQWSA-N 1 2 339.461 2.393 20 30 EEEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000451023967 467227565 /nfs/dbraw/zinc/22/75/65/467227565.db2.gz MMRSRSGIZCDXHX-UHFFFAOYSA-N 1 2 332.407 2.359 20 30 EEEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000451023967 467227568 /nfs/dbraw/zinc/22/75/68/467227568.db2.gz MMRSRSGIZCDXHX-UHFFFAOYSA-N 1 2 332.407 2.359 20 30 EEEDLO C=CCC[C@@H]1NC(=O)N(C[C@H](c2cccs2)[NH+]2CCOCC2)C1=O ZINC000419912775 467266002 /nfs/dbraw/zinc/26/60/02/467266002.db2.gz KCBYHIBZOUUJHL-UONOGXRCSA-N 1 2 349.456 2.008 20 30 EEEDLO Cc1cccc(N2CCN(C(=O)C[N@@H+](C)CC(C)(C)C#N)CC2)c1 ZINC000433299732 467315595 /nfs/dbraw/zinc/31/55/95/467315595.db2.gz COPJAYNARFPHCD-UHFFFAOYSA-N 1 2 328.460 2.125 20 30 EEEDLO Cc1cccc(N2CCN(C(=O)C[N@H+](C)CC(C)(C)C#N)CC2)c1 ZINC000433299732 467315599 /nfs/dbraw/zinc/31/55/99/467315599.db2.gz COPJAYNARFPHCD-UHFFFAOYSA-N 1 2 328.460 2.125 20 30 EEEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452336580 467350053 /nfs/dbraw/zinc/35/00/53/467350053.db2.gz VZGUFNNQOAOOAZ-QGZVFWFLSA-N 1 2 332.404 2.420 20 30 EEEDLO Cc1ccc(C=Cc2nc(SC[C@H](O)C[N@H+](C)CCC#N)n[nH]2)o1 ZINC000414107977 467378390 /nfs/dbraw/zinc/37/83/90/467378390.db2.gz KWSNJBFVVRYKJS-FMFIFOJESA-N 1 2 347.444 2.175 20 30 EEEDLO Cc1ccc(C=Cc2nc(SC[C@H](O)C[N@@H+](C)CCC#N)n[nH]2)o1 ZINC000414107977 467378393 /nfs/dbraw/zinc/37/83/93/467378393.db2.gz KWSNJBFVVRYKJS-FMFIFOJESA-N 1 2 347.444 2.175 20 30 EEEDLO COc1ccc(Br)c(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000414127067 467380302 /nfs/dbraw/zinc/38/03/02/467380302.db2.gz PELIVYZEWZXPMD-NSHDSACASA-N 1 2 343.221 2.043 20 30 EEEDLO COc1ccc(Br)c(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414127067 467380304 /nfs/dbraw/zinc/38/03/04/467380304.db2.gz PELIVYZEWZXPMD-NSHDSACASA-N 1 2 343.221 2.043 20 30 EEEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437158027 467555841 /nfs/dbraw/zinc/55/58/41/467555841.db2.gz WMMXMKSDKLMNIG-GHMZBOCLSA-N 1 2 346.399 2.413 20 30 EEEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437158027 467555842 /nfs/dbraw/zinc/55/58/42/467555842.db2.gz WMMXMKSDKLMNIG-GHMZBOCLSA-N 1 2 346.399 2.413 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000457607016 467661683 /nfs/dbraw/zinc/66/16/83/467661683.db2.gz RVFIVHWKQISNRF-INIZCTEOSA-N 1 2 332.448 2.198 20 30 EEEDLO CC(C)(CC#N)CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000457740684 467692585 /nfs/dbraw/zinc/69/25/85/467692585.db2.gz NZFBNLVOEOUVBJ-QGZVFWFLSA-N 1 2 344.459 2.299 20 30 EEEDLO Cc1cc(N2CCC(O)(CNC(=O)OC(C)(C)C)CC2)c(C#N)c[nH+]1 ZINC000496748658 467709121 /nfs/dbraw/zinc/70/91/21/467709121.db2.gz OFVZVTPJWRLLCM-UHFFFAOYSA-N 1 2 346.431 2.118 20 30 EEEDLO COc1cc(/C=C\C(=O)NC(C)(C)c2[nH]cc[nH+]2)ccc1OCC#N ZINC000493114167 467843726 /nfs/dbraw/zinc/84/37/26/467843726.db2.gz HAUGBVWEEYMUHC-ALCCZGGFSA-N 1 2 340.383 2.385 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1c(F)cc(Br)cc1F ZINC000516870645 468051909 /nfs/dbraw/zinc/05/19/09/468051909.db2.gz JGPXAOJMINJLFF-ZDUSSCGKSA-N 1 2 346.175 2.301 20 30 EEEDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489632818 468156656 /nfs/dbraw/zinc/15/66/56/468156656.db2.gz ALKWYQCTMSOCMW-UHFFFAOYSA-N 1 2 348.403 2.051 20 30 EEEDLO C=CCC[C@@H]1NC(=O)N(c2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1=O ZINC000569555116 468508232 /nfs/dbraw/zinc/50/82/32/468508232.db2.gz AJQQPTKTKQIAJS-PBHICJAKSA-N 1 2 343.427 2.471 20 30 EEEDLO N#Cc1cncnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000582483609 468547153 /nfs/dbraw/zinc/54/71/53/468547153.db2.gz VKPJKUVLRHOAIU-UHFFFAOYSA-N 1 2 343.818 2.203 20 30 EEEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000601326371 468827690 /nfs/dbraw/zinc/82/76/90/468827690.db2.gz BHUOHBZXTVEXBZ-UHFFFAOYSA-N 1 2 348.403 2.228 20 30 EEEDLO COc1ccc(CN2CC[C@H]([N@@H+]3CCC[C@@](C)(C#N)C3)C2=O)cc1 ZINC000595424354 468848232 /nfs/dbraw/zinc/84/82/32/468848232.db2.gz HSMHCKYVQUPVJD-HKUYNNGSSA-N 1 2 327.428 2.422 20 30 EEEDLO COc1ccc(CN2CC[C@H]([N@H+]3CCC[C@@](C)(C#N)C3)C2=O)cc1 ZINC000595424354 468848234 /nfs/dbraw/zinc/84/82/34/468848234.db2.gz HSMHCKYVQUPVJD-HKUYNNGSSA-N 1 2 327.428 2.422 20 30 EEEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595502454 468878937 /nfs/dbraw/zinc/87/89/37/468878937.db2.gz SAPMYGXCQLXIPR-UHFFFAOYSA-N 1 2 341.346 2.323 20 30 EEEDLO COC(=O)c1ccc2c(c1)nc(C[N@@H+]1CCC[C@H](CC#N)C1)[nH]c2=O ZINC000595613478 468922082 /nfs/dbraw/zinc/92/20/82/468922082.db2.gz DVADDGRHZZDYCW-GFCCVEGCSA-N 1 2 340.383 2.248 20 30 EEEDLO COC(=O)c1ccc2c(c1)nc(C[N@H+]1CCC[C@H](CC#N)C1)[nH]c2=O ZINC000595613478 468922086 /nfs/dbraw/zinc/92/20/86/468922086.db2.gz DVADDGRHZZDYCW-GFCCVEGCSA-N 1 2 340.383 2.248 20 30 EEEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000562556689 468991864 /nfs/dbraw/zinc/99/18/64/468991864.db2.gz ZKUKQRNYFLWFBK-UHFFFAOYSA-N 1 2 339.399 2.380 20 30 EEEDLO C[C@@H](CCC#N)C[N@@H+]1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000602720423 469030684 /nfs/dbraw/zinc/03/06/84/469030684.db2.gz GFJGEUJAKJUCJR-YOEHRIQHSA-N 1 2 336.457 2.403 20 30 EEEDLO C[C@@H](CCC#N)C[N@H+]1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000602720423 469030687 /nfs/dbraw/zinc/03/06/87/469030687.db2.gz GFJGEUJAKJUCJR-YOEHRIQHSA-N 1 2 336.457 2.403 20 30 EEEDLO Cc1noc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000585801078 469039441 /nfs/dbraw/zinc/03/94/41/469039441.db2.gz HBGAFGPCCRZDKD-MFKMUULPSA-N 1 2 343.387 2.276 20 30 EEEDLO Cc1noc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000585801078 469039447 /nfs/dbraw/zinc/03/94/47/469039447.db2.gz HBGAFGPCCRZDKD-MFKMUULPSA-N 1 2 343.387 2.276 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000611073951 469154375 /nfs/dbraw/zinc/15/43/75/469154375.db2.gz BIBYAZPCLSOHMS-CTNGQTDRSA-N 1 2 347.418 2.259 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000611073951 469154382 /nfs/dbraw/zinc/15/43/82/469154382.db2.gz BIBYAZPCLSOHMS-CTNGQTDRSA-N 1 2 347.418 2.259 20 30 EEEDLO CCc1cnc(C[N@H+](C)C[C@H](O)COc2ccccc2C#N)s1 ZINC000599306674 469203014 /nfs/dbraw/zinc/20/30/14/469203014.db2.gz AKCCBPURVVGCGV-AWEZNQCLSA-N 1 2 331.441 2.449 20 30 EEEDLO CCc1cnc(C[N@@H+](C)C[C@H](O)COc2ccccc2C#N)s1 ZINC000599306674 469203020 /nfs/dbraw/zinc/20/30/20/469203020.db2.gz AKCCBPURVVGCGV-AWEZNQCLSA-N 1 2 331.441 2.449 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000563219968 469203894 /nfs/dbraw/zinc/20/38/94/469203894.db2.gz CRXBDXDXTYNCOT-SFHVURJKSA-N 1 2 341.415 2.019 20 30 EEEDLO Cn1nc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c2ccccc21 ZINC000611253636 469209629 /nfs/dbraw/zinc/20/96/29/469209629.db2.gz AXJNKOCQGLIANC-UHFFFAOYSA-N 1 2 332.411 2.162 20 30 EEEDLO COCc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)o1 ZINC000611259706 469211578 /nfs/dbraw/zinc/21/15/78/469211578.db2.gz CATBKZZQORZXFC-UHFFFAOYSA-N 1 2 342.399 2.485 20 30 EEEDLO Cc1c[nH]c(C(C)(C)NC(=O)CCc2c(C)nn(CCC#N)c2C)[nH+]1 ZINC000563284877 469220685 /nfs/dbraw/zinc/22/06/85/469220685.db2.gz BYHNJAKXNCYGTN-UHFFFAOYSA-N 1 2 342.447 2.429 20 30 EEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@]23CCNC3=O)c1 ZINC000573931347 469233758 /nfs/dbraw/zinc/23/37/58/469233758.db2.gz SAIZCCHIFUPOAM-HNNXBMFYSA-N 1 2 334.217 2.175 20 30 EEEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@]23CCNC3=O)c1 ZINC000573931347 469233761 /nfs/dbraw/zinc/23/37/61/469233761.db2.gz SAIZCCHIFUPOAM-HNNXBMFYSA-N 1 2 334.217 2.175 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[C@@](F)(C#N)C1 ZINC000615534984 469256854 /nfs/dbraw/zinc/25/68/54/469256854.db2.gz IIWSJJVCYSFYRA-QGZVFWFLSA-N 1 2 329.379 2.382 20 30 EEEDLO CCCc1noc2nc(CC)cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c12 ZINC000565051983 469266684 /nfs/dbraw/zinc/26/66/84/469266684.db2.gz TVNOZXKXOYBFEG-SFHVURJKSA-N 1 2 343.431 2.311 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)n1 ZINC000602454330 469323660 /nfs/dbraw/zinc/32/36/60/469323660.db2.gz LYCWYAOTCXVHCB-QGZVFWFLSA-N 1 2 339.374 2.488 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)n1 ZINC000602454330 469323663 /nfs/dbraw/zinc/32/36/63/469323663.db2.gz LYCWYAOTCXVHCB-QGZVFWFLSA-N 1 2 339.374 2.488 20 30 EEEDLO C[C@@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCO1 ZINC000596658958 469324997 /nfs/dbraw/zinc/32/49/97/469324997.db2.gz QBJHIQZKXQLJSD-QFBILLFUSA-N 1 2 341.455 2.408 20 30 EEEDLO N#Cc1cncnc1N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000603419014 469389223 /nfs/dbraw/zinc/38/92/23/469389223.db2.gz LDFFLVDTQISQIQ-UHFFFAOYSA-N 1 2 334.305 2.089 20 30 EEEDLO COc1cccc(OC)c1OC[C@H](O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164778 469408923 /nfs/dbraw/zinc/40/89/23/469408923.db2.gz IXYOCEBERIXWHX-KDOFPFPSSA-N 1 2 334.416 2.069 20 30 EEEDLO COc1cccc(OC)c1OC[C@H](O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164778 469408927 /nfs/dbraw/zinc/40/89/27/469408927.db2.gz IXYOCEBERIXWHX-KDOFPFPSSA-N 1 2 334.416 2.069 20 30 EEEDLO COCC[N@H+](CCC#N)C[C@H](O)COc1cc(C)ccc1Cl ZINC000612446325 469468610 /nfs/dbraw/zinc/46/86/10/469468610.db2.gz GZCWOLVJYYJCBF-AWEZNQCLSA-N 1 2 326.824 2.250 20 30 EEEDLO COCC[N@@H+](CCC#N)C[C@H](O)COc1cc(C)ccc1Cl ZINC000612446325 469468612 /nfs/dbraw/zinc/46/86/12/469468612.db2.gz GZCWOLVJYYJCBF-AWEZNQCLSA-N 1 2 326.824 2.250 20 30 EEEDLO Cc1nc(N2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)CC2)cc[nH+]1 ZINC000612698364 469529728 /nfs/dbraw/zinc/52/97/28/469529728.db2.gz PJCYFMXHSCHUHM-UHFFFAOYSA-N 1 2 347.422 2.037 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](CC)CC(=O)N(C)C ZINC000605419013 469557918 /nfs/dbraw/zinc/55/79/18/469557918.db2.gz PEEOUAAUPBONJS-UHFFFAOYSA-N 1 2 335.473 2.313 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@H+](CC)CC(=O)N(C)C ZINC000605419013 469557921 /nfs/dbraw/zinc/55/79/21/469557921.db2.gz PEEOUAAUPBONJS-UHFFFAOYSA-N 1 2 335.473 2.313 20 30 EEEDLO Cc1cccc2[nH+]c(CNS(=O)(=O)c3cccc(CC#N)c3)cn21 ZINC000619482956 469621207 /nfs/dbraw/zinc/62/12/07/469621207.db2.gz XZSYXRLLZFQUGO-UHFFFAOYSA-N 1 2 340.408 2.187 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2cn3ccccc3[nH+]2)cc1 ZINC000609099579 469890682 /nfs/dbraw/zinc/89/06/82/469890682.db2.gz NDMKZZOKJBWMBT-GOSISDBHSA-N 1 2 345.406 2.491 20 30 EEEDLO C=C1CC(C)(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000630835109 470007661 /nfs/dbraw/zinc/00/76/61/470007661.db2.gz UTUQSEAXDQNBQD-UHFFFAOYSA-N 1 2 344.455 2.370 20 30 EEEDLO CC#CC[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000627977169 470036864 /nfs/dbraw/zinc/03/68/64/470036864.db2.gz IXXKGTMANPIHQK-IAGOWNOFSA-N 1 2 334.847 2.195 20 30 EEEDLO CC#CC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000627977169 470036866 /nfs/dbraw/zinc/03/68/66/470036866.db2.gz IXXKGTMANPIHQK-IAGOWNOFSA-N 1 2 334.847 2.195 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2nc3ccccc3n2C(F)F)nn1 ZINC000640901616 471107074 /nfs/dbraw/zinc/10/70/74/471107074.db2.gz FOUJZXVGXXIPNT-UHFFFAOYSA-N 1 2 330.342 2.184 20 30 EEEDLO C=CC[N@@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000108871333 526380655 /nfs/dbraw/zinc/38/06/55/526380655.db2.gz IREPUYLFRAZSNA-MRXNPFEDSA-N 1 2 348.472 2.187 20 30 EEEDLO C=CC[N@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000108871333 526380660 /nfs/dbraw/zinc/38/06/60/526380660.db2.gz IREPUYLFRAZSNA-MRXNPFEDSA-N 1 2 348.472 2.187 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000173793291 527112935 /nfs/dbraw/zinc/11/29/35/527112935.db2.gz AKJXJVCBSXNZRX-UHFFFAOYSA-N 1 2 349.406 2.070 20 30 EEEDLO C=CCn1c(C)cc(C(=O)CN2CC[NH+](CCOCC)CC2)c1C ZINC000106106137 527294205 /nfs/dbraw/zinc/29/42/05/527294205.db2.gz IFZAXUYULYYYDO-UHFFFAOYSA-N 1 2 333.476 2.128 20 30 EEEDLO COC[C@H]1CC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000739923331 576314280 /nfs/dbraw/zinc/31/42/80/576314280.db2.gz VRZUKJYIHSEUMI-STQMWFEESA-N 1 2 329.425 2.441 20 30 EEEDLO COC[C@H]1CC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000739923331 576314282 /nfs/dbraw/zinc/31/42/82/576314282.db2.gz VRZUKJYIHSEUMI-STQMWFEESA-N 1 2 329.425 2.441 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000730097110 576714651 /nfs/dbraw/zinc/71/46/51/576714651.db2.gz BMEXCBIMUSMVEY-HNNXBMFYSA-N 1 2 333.819 2.078 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000730097110 576714654 /nfs/dbraw/zinc/71/46/54/576714654.db2.gz BMEXCBIMUSMVEY-HNNXBMFYSA-N 1 2 333.819 2.078 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2ccc(Br)cc21 ZINC000732798747 577192981 /nfs/dbraw/zinc/19/29/81/577192981.db2.gz GRBOXARAQASCOM-AWEZNQCLSA-N 1 2 333.229 2.436 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2ccc(Br)cc21 ZINC000732798747 577192982 /nfs/dbraw/zinc/19/29/82/577192982.db2.gz GRBOXARAQASCOM-AWEZNQCLSA-N 1 2 333.229 2.436 20 30 EEEDLO C#C[C@H]([NH2+]Cc1cc(O)c(OC)cc1Br)[C@H]1CCCO1 ZINC000776001652 577450422 /nfs/dbraw/zinc/45/04/22/577450422.db2.gz QLKDTROPNUHTGB-GXTWGEPZSA-N 1 2 340.217 2.434 20 30 EEEDLO COc1cccc([C@@H](C#N)NC(=O)c2cccc3[nH+]ccn32)c1OC ZINC000777104353 577473245 /nfs/dbraw/zinc/47/32/45/577473245.db2.gz XVUVJSMSEXLYEV-CYBMUJFWSA-N 1 2 336.351 2.346 20 30 EEEDLO Fc1cc(C=[NH+]NCCOCC(F)(F)F)ccc1N1CCOCC1 ZINC000765595819 577503743 /nfs/dbraw/zinc/50/37/43/577503743.db2.gz PMAPBAKJWBJNFW-UHFFFAOYSA-N 1 2 349.328 2.165 20 30 EEEDLO COc1ccc(C[N@H+](C)Cn2cccc(C#N)c2=O)cc1OC(F)F ZINC000758206579 577618564 /nfs/dbraw/zinc/61/85/64/577618564.db2.gz OZGWOIFKCMUEHE-UHFFFAOYSA-N 1 2 349.337 2.419 20 30 EEEDLO COc1ccc(C[N@@H+](C)Cn2cccc(C#N)c2=O)cc1OC(F)F ZINC000758206579 577618565 /nfs/dbraw/zinc/61/85/65/577618565.db2.gz OZGWOIFKCMUEHE-UHFFFAOYSA-N 1 2 349.337 2.419 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CN2c3ccccc3S[C@@H](C)[C@H]2C)CC1 ZINC000759345592 577641403 /nfs/dbraw/zinc/64/14/03/577641403.db2.gz JJOAFFZDHNVJJR-CVEARBPZSA-N 1 2 343.496 2.153 20 30 EEEDLO CC(C)CO[C@@H]1CC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000759405991 577642224 /nfs/dbraw/zinc/64/22/24/577642224.db2.gz MHBRHSGTTFWXEA-OAHLLOKOSA-N 1 2 340.427 2.167 20 30 EEEDLO CC(C)CO[C@@H]1CC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000759405991 577642225 /nfs/dbraw/zinc/64/22/25/577642225.db2.gz MHBRHSGTTFWXEA-OAHLLOKOSA-N 1 2 340.427 2.167 20 30 EEEDLO Fc1ccc(CN[NH+]=Cc2cnc(N3CCOCC3)s2)cc1F ZINC000755658348 577828747 /nfs/dbraw/zinc/82/87/47/577828747.db2.gz UHZUTAGYAKZQPE-UHFFFAOYSA-N 1 2 338.383 2.382 20 30 EEEDLO C#CCOCCC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000756037891 577837272 /nfs/dbraw/zinc/83/72/72/577837272.db2.gz ICKBMCPUAOQHEJ-MRXNPFEDSA-N 1 2 325.412 2.376 20 30 EEEDLO C=CC[C@@H]1CCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000890546128 674752987 /nfs/dbraw/zinc/75/29/87/674752987.db2.gz LNETWWPWHLNHJM-SJORKVTESA-N 1 2 344.459 2.194 20 30 EEEDLO C=CC[C@@H]1CCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000890546128 674752989 /nfs/dbraw/zinc/75/29/89/674752989.db2.gz LNETWWPWHLNHJM-SJORKVTESA-N 1 2 344.459 2.194 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(-c3ccoc3)n[nH]2)C1 ZINC000970867729 676206163 /nfs/dbraw/zinc/20/61/63/676206163.db2.gz FVQIYIWOPQUUHL-LLVKDONJSA-N 1 2 334.807 2.472 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc3c2OCCO3)C1 ZINC000969792816 675209600 /nfs/dbraw/zinc/20/96/00/675209600.db2.gz LVIGXRXRCQJWHZ-LBPRGKRZSA-N 1 2 336.819 2.260 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(C)c(F)c3)CC2)C1 ZINC000949409055 676224934 /nfs/dbraw/zinc/22/49/34/676224934.db2.gz WXWCJOPHMHOMRG-UHFFFAOYSA-N 1 2 330.403 2.074 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(C)c(F)c3)CC2)C1 ZINC000949409055 676224935 /nfs/dbraw/zinc/22/49/35/676224935.db2.gz WXWCJOPHMHOMRG-UHFFFAOYSA-N 1 2 330.403 2.074 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cn3c(n2)C[C@H](C)CC3)C1 ZINC000969960920 675346044 /nfs/dbraw/zinc/34/60/44/675346044.db2.gz ITMXLPTTXSNGBP-DGCLKSJQSA-N 1 2 336.867 2.268 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C(C)C)o2)C1 ZINC000970017027 675387112 /nfs/dbraw/zinc/38/71/12/675387112.db2.gz MSKDGRMLNAFCFI-KFWWJZLASA-N 1 2 333.432 2.080 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC000970236892 675732938 /nfs/dbraw/zinc/73/29/38/675732938.db2.gz JBPJSEVNXGIFBP-WFASDCNBSA-N 1 2 347.846 2.301 20 30 EEEDLO CCc1nocc1C(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970387824 675845081 /nfs/dbraw/zinc/84/50/81/675845081.db2.gz JAWOSNDCHDUDKY-CYBMUJFWSA-N 1 2 338.411 2.359 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)sc1C ZINC000971288726 676471739 /nfs/dbraw/zinc/47/17/39/676471739.db2.gz LEMQXVHIGIDFGX-AWEZNQCLSA-N 1 2 343.456 2.306 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)sc1C ZINC000971288726 676471741 /nfs/dbraw/zinc/47/17/41/676471741.db2.gz LEMQXVHIGIDFGX-AWEZNQCLSA-N 1 2 343.456 2.306 20 30 EEEDLO C[N@H+](Cc1coc(C2CC2)n1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971376554 676508889 /nfs/dbraw/zinc/50/88/89/676508889.db2.gz LNZOILZNHPLEFU-INIZCTEOSA-N 1 2 339.399 2.098 20 30 EEEDLO C[N@@H+](Cc1coc(C2CC2)n1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971376554 676508890 /nfs/dbraw/zinc/50/88/90/676508890.db2.gz LNZOILZNHPLEFU-INIZCTEOSA-N 1 2 339.399 2.098 20 30 EEEDLO C#C[C@@H]1CCCCN1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000891608954 676720758 /nfs/dbraw/zinc/72/07/58/676720758.db2.gz YXSYUXYUJWTIRD-LJQANCHMSA-N 1 2 341.455 2.216 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1NC(=O)C(F)F ZINC000972711178 679707479 /nfs/dbraw/zinc/70/74/79/679707479.db2.gz 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C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000972148570 678316390 /nfs/dbraw/zinc/31/63/90/678316390.db2.gz XDXQFHFGGYUVKZ-ZOBORPQBSA-N 1 2 327.266 2.474 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)C1 ZINC000972431307 678730700 /nfs/dbraw/zinc/73/07/00/678730700.db2.gz ORZYXZRBIQYXHO-YQVWRLOYSA-N 1 2 344.480 2.178 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)C1 ZINC000972431307 678730702 /nfs/dbraw/zinc/73/07/02/678730702.db2.gz ORZYXZRBIQYXHO-YQVWRLOYSA-N 1 2 344.480 2.178 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(C(F)F)CCCC3)C2)C1 ZINC000972516616 679137501 /nfs/dbraw/zinc/13/75/01/679137501.db2.gz AUVJZMMBMPKYTF-INIZCTEOSA-N 1 2 328.403 2.301 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(C(F)F)CCCC3)C2)C1 ZINC000972516616 679137504 /nfs/dbraw/zinc/13/75/04/679137504.db2.gz AUVJZMMBMPKYTF-INIZCTEOSA-N 1 2 328.403 2.301 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(C2)C[N@H+](Cc2cccnc2)CCO3)C1 ZINC000972542290 679232689 /nfs/dbraw/zinc/23/26/89/679232689.db2.gz IKFROUMWFWOYME-FQEVSTJZSA-N 1 2 341.455 2.241 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(C2)C[N@@H+](Cc2cccnc2)CCO3)C1 ZINC000972542290 679232691 /nfs/dbraw/zinc/23/26/91/679232691.db2.gz IKFROUMWFWOYME-FQEVSTJZSA-N 1 2 341.455 2.241 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(C)C)cn3)C2)C1 ZINC000972552185 679259441 /nfs/dbraw/zinc/25/94/41/679259441.db2.gz KXZUUPPFIOILBK-HXUWFJFHSA-N 1 2 341.455 2.145 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(C)C)cn3)C2)C1 ZINC000972552185 679259442 /nfs/dbraw/zinc/25/94/42/679259442.db2.gz KXZUUPPFIOILBK-HXUWFJFHSA-N 1 2 341.455 2.145 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C4CC4)nc3C)C2)C1 ZINC000972557918 679279226 /nfs/dbraw/zinc/27/92/26/679279226.db2.gz ULCZTDXTVPJCKJ-FQEVSTJZSA-N 1 2 341.455 2.370 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C4CC4)nc3C)C2)C1 ZINC000972557918 679279227 /nfs/dbraw/zinc/27/92/27/679279227.db2.gz ULCZTDXTVPJCKJ-FQEVSTJZSA-N 1 2 341.455 2.370 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccc(C)o3)C2)C1 ZINC000972586310 679364258 /nfs/dbraw/zinc/36/42/58/679364258.db2.gz WGALPTSOEVNYCM-APWZRJJASA-N 1 2 330.428 2.018 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccc(C)o3)C2)C1 ZINC000972586310 679364259 /nfs/dbraw/zinc/36/42/59/679364259.db2.gz WGALPTSOEVNYCM-APWZRJJASA-N 1 2 330.428 2.018 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc(C(F)F)c3)C2)C1 ZINC000972641443 679484434 /nfs/dbraw/zinc/48/44/34/679484434.db2.gz SVDSKUQRWNRCFN-GOSISDBHSA-N 1 2 334.366 2.174 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc(C(F)F)c3)C2)C1 ZINC000972641443 679484435 /nfs/dbraw/zinc/48/44/35/679484435.db2.gz SVDSKUQRWNRCFN-GOSISDBHSA-N 1 2 334.366 2.174 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccc(C)cc3)C2)C1 ZINC000972643125 679495541 /nfs/dbraw/zinc/49/55/41/679495541.db2.gz OJXBLNWVESCCSP-YLJYHZDGSA-N 1 2 326.440 2.035 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccc(C)cc3)C2)C1 ZINC000972643125 679495543 /nfs/dbraw/zinc/49/55/43/679495543.db2.gz OJXBLNWVESCCSP-YLJYHZDGSA-N 1 2 326.440 2.035 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cccc(OCC)c3)C2)C1 ZINC000972693497 679617890 /nfs/dbraw/zinc/61/78/90/679617890.db2.gz DTKOHMJKYHRYSO-FQEVSTJZSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cccc(OCC)c3)C2)C1 ZINC000972693497 679617891 /nfs/dbraw/zinc/61/78/91/679617891.db2.gz DTKOHMJKYHRYSO-FQEVSTJZSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(CC(C)C)s3)C2)C1 ZINC000972696921 679623230 /nfs/dbraw/zinc/62/32/30/679623230.db2.gz QRSGSBNTQDKCFG-SFHVURJKSA-N 1 2 349.500 2.445 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(CC(C)C)s3)C2)C1 ZINC000972696921 679623233 /nfs/dbraw/zinc/62/32/33/679623233.db2.gz QRSGSBNTQDKCFG-SFHVURJKSA-N 1 2 349.500 2.445 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)[C@H]2CCOC2)c1 ZINC001024350138 679880517 /nfs/dbraw/zinc/88/05/17/679880517.db2.gz JVHOSNXEYDMZGG-DOTOQJQBSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2CNC(=O)[C@H]2CCOC2)c1 ZINC001024350138 679880518 /nfs/dbraw/zinc/88/05/18/679880518.db2.gz JVHOSNXEYDMZGG-DOTOQJQBSA-N 1 2 345.418 2.205 20 30 EEEDLO Cn1cnc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)c1 ZINC001024391752 679893115 /nfs/dbraw/zinc/89/31/15/679893115.db2.gz DCQCHFSFTYLYGE-KRWDZBQOSA-N 1 2 337.427 2.076 20 30 EEEDLO Cn1cnc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)c1 ZINC001024391752 679893116 /nfs/dbraw/zinc/89/31/16/679893116.db2.gz DCQCHFSFTYLYGE-KRWDZBQOSA-N 1 2 337.427 2.076 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2nc[nH]c2n1 ZINC001024499871 679989030 /nfs/dbraw/zinc/98/90/30/679989030.db2.gz QSAXXUQHXPALSO-GFCCVEGCSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2nc[nH]c2n1 ZINC001024499871 679989034 /nfs/dbraw/zinc/98/90/34/679989034.db2.gz QSAXXUQHXPALSO-GFCCVEGCSA-N 1 2 333.823 2.295 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CCC2(F)F)s1 ZINC001038398947 681403214 /nfs/dbraw/zinc/40/32/14/681403214.db2.gz SDEBKYFPXULIOD-ZWNOBZJWSA-N 1 2 325.384 2.356 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CCC2(F)F)s1 ZINC001038398947 681403217 /nfs/dbraw/zinc/40/32/17/681403217.db2.gz SDEBKYFPXULIOD-ZWNOBZJWSA-N 1 2 325.384 2.356 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)[nH]1 ZINC001006944088 682027212 /nfs/dbraw/zinc/02/72/12/682027212.db2.gz CMXQMFNIXRUDQA-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)[nH]1 ZINC001006944088 682027222 /nfs/dbraw/zinc/02/72/22/682027222.db2.gz CMXQMFNIXRUDQA-OAHLLOKOSA-N 1 2 341.390 2.123 20 30 EEEDLO C[C@]12CN(CC#N)C[C@@]1(C)CN(C(=O)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC000982695094 682050005 /nfs/dbraw/zinc/05/00/05/682050005.db2.gz XZCVHHNNRJBRDY-BGYRXZFFSA-N 1 2 349.438 2.180 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3nnc(C4CC4)[nH]3)C2)CC1 ZINC001028780298 682210848 /nfs/dbraw/zinc/21/08/48/682210848.db2.gz GHLDPFMWFAMTGA-AWEZNQCLSA-N 1 2 343.475 2.367 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3nnc(C4CC4)[nH]3)C2)CC1 ZINC001028780298 682210856 /nfs/dbraw/zinc/21/08/56/682210856.db2.gz GHLDPFMWFAMTGA-AWEZNQCLSA-N 1 2 343.475 2.367 20 30 EEEDLO N#Cc1ccc(Br)c(CNCC[N@@H+]2CCCOCC2)c1 ZINC000894471970 682916412 /nfs/dbraw/zinc/91/64/12/682916412.db2.gz POUKEOWHPKINGL-UHFFFAOYSA-N 1 2 338.249 2.133 20 30 EEEDLO N#Cc1ccc(Br)c(CNCC[N@H+]2CCCOCC2)c1 ZINC000894471970 682916414 /nfs/dbraw/zinc/91/64/14/682916414.db2.gz POUKEOWHPKINGL-UHFFFAOYSA-N 1 2 338.249 2.133 20 30 EEEDLO C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CCCN(CC#N)C1 ZINC001025581441 683036280 /nfs/dbraw/zinc/03/62/80/683036280.db2.gz CUWHYIAZIPJEMC-RDJZCZTQSA-N 1 2 337.427 2.226 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2cc(CC)nn2C)C(C)(C)C1 ZINC000974846496 685620466 /nfs/dbraw/zinc/62/04/66/685620466.db2.gz NGPMDICYCZTPIJ-OAHLLOKOSA-N 1 2 338.883 2.104 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2cc(CC)nn2C)C(C)(C)C1 ZINC000974846496 685620468 /nfs/dbraw/zinc/62/04/68/685620468.db2.gz NGPMDICYCZTPIJ-OAHLLOKOSA-N 1 2 338.883 2.104 20 30 EEEDLO C[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001025663368 683226289 /nfs/dbraw/zinc/22/62/89/683226289.db2.gz FYHDTTXWPAQKET-RFUJCOMKSA-N 1 2 328.843 2.394 20 30 EEEDLO C[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001025663368 683226291 /nfs/dbraw/zinc/22/62/91/683226291.db2.gz FYHDTTXWPAQKET-RFUJCOMKSA-N 1 2 328.843 2.394 20 30 EEEDLO Cn1cc[nH+]c1C[C@H](NS(=O)(=O)CC(C)(C)C#N)c1ccccc1 ZINC000914204585 683359915 /nfs/dbraw/zinc/35/99/15/683359915.db2.gz SGNKULRQYBIFNM-HNNXBMFYSA-N 1 2 346.456 2.173 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993023987 683761600 /nfs/dbraw/zinc/76/16/00/683761600.db2.gz OOLWFVOCAYEOIE-KDOFPFPSSA-N 1 2 337.427 2.075 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993023987 683761602 /nfs/dbraw/zinc/76/16/02/683761602.db2.gz 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ZINC001088666957 1188074257 /nfs/dbraw/zinc/07/42/57/1188074257.db2.gz VSSNWOSWLREAFZ-AYOQOUSVSA-N 1 2 340.471 2.122 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(CC)nnc3C)[C@@H]2C1 ZINC001076083875 1188706432 /nfs/dbraw/zinc/70/64/32/1188706432.db2.gz VOXWHAZSYKNZLY-XJKSGUPXSA-N 1 2 334.851 2.246 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(CC)nnc3C)[C@@H]2C1 ZINC001076083875 1188706434 /nfs/dbraw/zinc/70/64/34/1188706434.db2.gz VOXWHAZSYKNZLY-XJKSGUPXSA-N 1 2 334.851 2.246 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001076532324 1188972506 /nfs/dbraw/zinc/97/25/06/1188972506.db2.gz BTFSMDLQODYWBO-GJZGRUSLSA-N 1 2 346.475 2.059 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)c2cc(C)no2)CC1 ZINC001005101477 1194433789 /nfs/dbraw/zinc/43/37/89/1194433789.db2.gz WFQXPQFVHFGVPC-UHFFFAOYSA-N 1 2 342.237 2.428 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2C[C@H]2OCC)CC1 ZINC001005147141 1194564568 /nfs/dbraw/zinc/56/45/68/1194564568.db2.gz XOZXHDLMTNIRES-UONOGXRCSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001033436918 1194590546 /nfs/dbraw/zinc/59/05/46/1194590546.db2.gz ZYWOPPRSANSHKP-XHSDSOJGSA-N 1 2 335.473 2.075 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001033436918 1194590550 /nfs/dbraw/zinc/59/05/50/1194590550.db2.gz ZYWOPPRSANSHKP-XHSDSOJGSA-N 1 2 335.473 2.075 20 30 EEEDLO Cc1conc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033563659 1194734647 /nfs/dbraw/zinc/73/46/47/1194734647.db2.gz RCDDGECJZRNNDD-OAHLLOKOSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1conc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033563659 1194734650 /nfs/dbraw/zinc/73/46/50/1194734650.db2.gz RCDDGECJZRNNDD-OAHLLOKOSA-N 1 2 342.374 2.340 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c(C)n(C)nc2Cl)C1 ZINC001033618985 1194959499 /nfs/dbraw/zinc/95/94/99/1194959499.db2.gz IAIFHZDAWRQUDG-LLVKDONJSA-N 1 2 331.247 2.281 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c(C)n(C)nc2Cl)C1 ZINC001033618985 1194959502 /nfs/dbraw/zinc/95/95/02/1194959502.db2.gz IAIFHZDAWRQUDG-LLVKDONJSA-N 1 2 331.247 2.281 20 30 EEEDLO CCN(C(=O)c1cncnc1C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033757199 1195211877 /nfs/dbraw/zinc/21/18/77/1195211877.db2.gz SYHNMJJIVGKAOU-SFHVURJKSA-N 1 2 349.438 2.393 20 30 EEEDLO CCN(C(=O)c1cncnc1C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033757199 1195211881 /nfs/dbraw/zinc/21/18/81/1195211881.db2.gz SYHNMJJIVGKAOU-SFHVURJKSA-N 1 2 349.438 2.393 20 30 EEEDLO CCN(C(=O)c1cocn1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033773312 1195222411 /nfs/dbraw/zinc/22/24/11/1195222411.db2.gz SSTMCAWAJDHRMY-OAHLLOKOSA-N 1 2 342.374 2.422 20 30 EEEDLO CCN(C(=O)c1cocn1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033773312 1195222414 /nfs/dbraw/zinc/22/24/14/1195222414.db2.gz SSTMCAWAJDHRMY-OAHLLOKOSA-N 1 2 342.374 2.422 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc3c([nH]2)CCOC3)C1 ZINC001033858596 1195401271 /nfs/dbraw/zinc/40/12/71/1195401271.db2.gz WVHGRWWITREPAY-CQSZACIVSA-N 1 2 337.851 2.376 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3c([nH]2)CCOC3)C1 ZINC001033858596 1195401272 /nfs/dbraw/zinc/40/12/72/1195401272.db2.gz WVHGRWWITREPAY-CQSZACIVSA-N 1 2 337.851 2.376 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccn(CC(F)F)n2)C1 ZINC001033869720 1195422850 /nfs/dbraw/zinc/42/28/50/1195422850.db2.gz OBGYUSSTNKEWJA-LBPRGKRZSA-N 1 2 346.809 2.437 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn(CC(F)F)n2)C1 ZINC001033869720 1195422851 /nfs/dbraw/zinc/42/28/51/1195422851.db2.gz OBGYUSSTNKEWJA-LBPRGKRZSA-N 1 2 346.809 2.437 20 30 EEEDLO CCN(C(=O)c1n[nH]cc1F)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033948984 1195548807 /nfs/dbraw/zinc/54/88/07/1195548807.db2.gz DVNJHVWGUFMGBY-OAHLLOKOSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1n[nH]cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033948984 1195548808 /nfs/dbraw/zinc/54/88/08/1195548808.db2.gz DVNJHVWGUFMGBY-OAHLLOKOSA-N 1 2 341.390 2.157 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]2OCCN(c3cc(CC)[nH+]c(C)n3)[C@@H]2C1 ZINC001090176786 1195626073 /nfs/dbraw/zinc/62/60/73/1195626073.db2.gz KPXDEEGRJYELIE-SJORKVTESA-N 1 2 344.459 2.120 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CCCC[N@H+](Cc3nccs3)C2)c[nH]1 ZINC001034171185 1195892845 /nfs/dbraw/zinc/89/28/45/1195892845.db2.gz KOSSFUCZHCRMIS-CYBMUJFWSA-N 1 2 329.429 2.127 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3nccs3)C2)c[nH]1 ZINC001034171185 1195892848 /nfs/dbraw/zinc/89/28/48/1195892848.db2.gz KOSSFUCZHCRMIS-CYBMUJFWSA-N 1 2 329.429 2.127 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108120040 1195903700 /nfs/dbraw/zinc/90/37/00/1195903700.db2.gz VRNLKNWDQXCFBJ-HXUWFJFHSA-N 1 2 341.455 2.478 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108120040 1195903701 /nfs/dbraw/zinc/90/37/01/1195903701.db2.gz VRNLKNWDQXCFBJ-HXUWFJFHSA-N 1 2 341.455 2.478 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)C2CC(OC)C2)C1 ZINC001034260083 1196004884 /nfs/dbraw/zinc/00/48/84/1196004884.db2.gz CXEXJXIEEUJRDV-ROKHWSDSSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)C2CC(OC)C2)C1 ZINC001034260083 1196004887 /nfs/dbraw/zinc/00/48/87/1196004887.db2.gz CXEXJXIEEUJRDV-ROKHWSDSSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c(c2)nnn3C)C1 ZINC001034271078 1196024662 /nfs/dbraw/zinc/02/46/62/1196024662.db2.gz JAKDFGALDUIWPW-CQSZACIVSA-N 1 2 347.850 2.305 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c(c2)nnn3C)C1 ZINC001034271078 1196024665 /nfs/dbraw/zinc/02/46/65/1196024665.db2.gz JAKDFGALDUIWPW-CQSZACIVSA-N 1 2 347.850 2.305 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2nccn3ccnc23)C1 ZINC001034402382 1196194313 /nfs/dbraw/zinc/19/43/13/1196194313.db2.gz OFPYFVWWPCEFQD-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2nccn3ccnc23)C1 ZINC001034402382 1196194315 /nfs/dbraw/zinc/19/43/15/1196194315.db2.gz OFPYFVWWPCEFQD-ZDUSSCGKSA-N 1 2 333.823 2.066 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cc3cncs3)C2)c(F)c1 ZINC001014836794 1224422697 /nfs/dbraw/zinc/42/26/97/1224422697.db2.gz FOGZRUQVJHMTOD-AWEZNQCLSA-N 1 2 344.415 2.087 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Cc3cncs3)C2)c(F)c1 ZINC001014836794 1224422701 /nfs/dbraw/zinc/42/27/01/1224422701.db2.gz FOGZRUQVJHMTOD-AWEZNQCLSA-N 1 2 344.415 2.087 20 30 EEEDLO Cc1noc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)c1C ZINC001014864669 1224462307 /nfs/dbraw/zinc/46/23/07/1224462307.db2.gz RYNREZSVBFUBJF-OAHLLOKOSA-N 1 2 342.374 2.307 20 30 EEEDLO Cc1noc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)c1C ZINC001014864669 1224462312 /nfs/dbraw/zinc/46/23/12/1224462312.db2.gz RYNREZSVBFUBJF-OAHLLOKOSA-N 1 2 342.374 2.307 20 30 EEEDLO C[C@@H](NN=Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(F)(F)F ZINC000872380399 1198163001 /nfs/dbraw/zinc/16/30/01/1198163001.db2.gz HEWKVKOFYKKOCV-CYBMUJFWSA-N 1 2 345.365 2.272 20 30 EEEDLO C=CCOc1ccccc1C[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865458101 1198228179 /nfs/dbraw/zinc/22/81/79/1198228179.db2.gz CCDYEZSUBVYOJU-KRWDZBQOSA-N 1 2 328.416 2.312 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001132042526 1199227286 /nfs/dbraw/zinc/22/72/86/1199227286.db2.gz VRGILVNVCUCYLA-ZBFHGGJFSA-N 1 2 349.862 2.244 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(Cl)n2)C1 ZINC001132042526 1199227293 /nfs/dbraw/zinc/22/72/93/1199227293.db2.gz VRGILVNVCUCYLA-ZBFHGGJFSA-N 1 2 349.862 2.244 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cnnn2C)C1 ZINC001132076441 1199268186 /nfs/dbraw/zinc/26/81/86/1199268186.db2.gz AGPNJVATKBOYCO-AAEUAGOBSA-N 1 2 339.871 2.063 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cnnn2C)C1 ZINC001132076441 1199268191 /nfs/dbraw/zinc/26/81/91/1199268191.db2.gz AGPNJVATKBOYCO-AAEUAGOBSA-N 1 2 339.871 2.063 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(CC)s2)CC[C@H]1C ZINC001132158014 1199371773 /nfs/dbraw/zinc/37/17/73/1199371773.db2.gz WGZBVTXBOLXJTD-KGLIPLIRSA-N 1 2 349.500 2.195 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2ccc(CC)s2)CC[C@H]1C ZINC001132158014 1199371776 /nfs/dbraw/zinc/37/17/76/1199371776.db2.gz WGZBVTXBOLXJTD-KGLIPLIRSA-N 1 2 349.500 2.195 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCc2ccco2)C1 ZINC001132217993 1199456859 /nfs/dbraw/zinc/45/68/59/1199456859.db2.gz KDUMCHRKDNFMJT-CABCVRRESA-N 1 2 347.459 2.077 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCc2ccco2)C1 ZINC001132217993 1199456863 /nfs/dbraw/zinc/45/68/63/1199456863.db2.gz KDUMCHRKDNFMJT-CABCVRRESA-N 1 2 347.459 2.077 20 30 EEEDLO CC(C)C#CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nnsc1Cl ZINC001134345207 1199507267 /nfs/dbraw/zinc/50/72/67/1199507267.db2.gz RELLPVMVVIZYKV-GHMZBOCLSA-N 1 2 328.869 2.224 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(CCc2ccccc2)no1 ZINC001132395522 1199651384 /nfs/dbraw/zinc/65/13/84/1199651384.db2.gz DWUVIOXMUFAUDF-UHFFFAOYSA-N 1 2 342.443 2.273 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CNC(=O)c2ccccc2)CC[C@H]1C ZINC001132434135 1199703735 /nfs/dbraw/zinc/70/37/35/1199703735.db2.gz UIYIAXKWAQDCAE-GDBMZVCRSA-N 1 2 349.862 2.138 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CNC(=O)c2ccccc2)CC[C@H]1C ZINC001132434135 1199703738 /nfs/dbraw/zinc/70/37/38/1199703738.db2.gz UIYIAXKWAQDCAE-GDBMZVCRSA-N 1 2 349.862 2.138 20 30 EEEDLO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2n[nH]c3ccccc32)CC[C@H]1C ZINC001132457768 1199720958 /nfs/dbraw/zinc/72/09/58/1199720958.db2.gz MXXNFENCZTUCKQ-CABCVRRESA-N 1 2 342.443 2.348 20 30 EEEDLO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c3ccccc32)CC[C@H]1C ZINC001132457768 1199720963 /nfs/dbraw/zinc/72/09/63/1199720963.db2.gz MXXNFENCZTUCKQ-CABCVRRESA-N 1 2 342.443 2.348 20 30 EEEDLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c1Cl ZINC001014949366 1224570891 /nfs/dbraw/zinc/57/08/91/1224570891.db2.gz BJUKCMHUWMVRNI-JTQLQIEISA-N 1 2 349.847 2.011 20 30 EEEDLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c1Cl ZINC001014949366 1224570897 /nfs/dbraw/zinc/57/08/97/1224570897.db2.gz BJUKCMHUWMVRNI-JTQLQIEISA-N 1 2 349.847 2.011 20 30 EEEDLO CC#CCCCC(=O)NCC[NH2+]Cc1noc(-c2ccccc2)n1 ZINC001132601726 1199878118 /nfs/dbraw/zinc/87/81/18/1199878118.db2.gz KEKMZBMTGMOLTF-UHFFFAOYSA-N 1 2 326.400 2.136 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000878445648 1200474148 /nfs/dbraw/zinc/47/41/48/1200474148.db2.gz JOLTVYBJWRQMJP-HNNXBMFYSA-N 1 2 346.431 2.189 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000878445648 1200474150 /nfs/dbraw/zinc/47/41/50/1200474150.db2.gz JOLTVYBJWRQMJP-HNNXBMFYSA-N 1 2 346.431 2.189 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000878445650 1200474487 /nfs/dbraw/zinc/47/44/87/1200474487.db2.gz JOLTVYBJWRQMJP-OAHLLOKOSA-N 1 2 346.431 2.189 20 30 EEEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000878445650 1200474488 /nfs/dbraw/zinc/47/44/88/1200474488.db2.gz JOLTVYBJWRQMJP-OAHLLOKOSA-N 1 2 346.431 2.189 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3cccc(OC)c3)CC2)cn1 ZINC000870156375 1200519882 /nfs/dbraw/zinc/51/98/82/1200519882.db2.gz RVHNQTWYYLUJRY-UHFFFAOYSA-N 1 2 335.407 2.030 20 30 EEEDLO C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001133405613 1200869078 /nfs/dbraw/zinc/86/90/78/1200869078.db2.gz IHHYEOGYHAUZPU-UHFFFAOYSA-N 1 2 332.835 2.410 20 30 EEEDLO C=CCNC(=O)N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC001202569407 1202168203 /nfs/dbraw/zinc/16/82/03/1202168203.db2.gz BBZWTIHAIOEUMA-UHFFFAOYSA-N 1 2 333.407 2.302 20 30 EEEDLO N#CC1(c2ccccn2)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000800117926 1202209659 /nfs/dbraw/zinc/20/96/59/1202209659.db2.gz OMORDQLXAGKTPF-UHFFFAOYSA-N 1 2 331.379 2.427 20 30 EEEDLO Cc1nc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)c(C)o1 ZINC001095329458 1202314828 /nfs/dbraw/zinc/31/48/28/1202314828.db2.gz MOVSRSJGYLKFQV-KMFMINBZSA-N 1 2 339.399 2.027 20 30 EEEDLO Cc1nc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(C#N)[nH]2)C3)c(C)o1 ZINC001095329458 1202314831 /nfs/dbraw/zinc/31/48/31/1202314831.db2.gz MOVSRSJGYLKFQV-KMFMINBZSA-N 1 2 339.399 2.027 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000884613297 1202341480 /nfs/dbraw/zinc/34/14/80/1202341480.db2.gz IXCJWYYSVHNQTM-CYBMUJFWSA-N 1 2 328.384 2.192 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000884613297 1202341482 /nfs/dbraw/zinc/34/14/82/1202341482.db2.gz IXCJWYYSVHNQTM-CYBMUJFWSA-N 1 2 328.384 2.192 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(N(C)C)nc2F)C1=O ZINC001274068230 1204354226 /nfs/dbraw/zinc/35/42/26/1204354226.db2.gz ZMZMAAJPQTVRLP-GOSISDBHSA-N 1 2 332.423 2.040 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(N(C)C)nc2F)C1=O ZINC001274068230 1204354231 /nfs/dbraw/zinc/35/42/31/1204354231.db2.gz ZMZMAAJPQTVRLP-GOSISDBHSA-N 1 2 332.423 2.040 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(O)ccc(F)c1F ZINC001274148732 1204406069 /nfs/dbraw/zinc/40/60/69/1204406069.db2.gz TZJPSZSOYHWSRG-SFHVURJKSA-N 1 2 334.366 2.261 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)ccc(F)c1F ZINC001274148732 1204406071 /nfs/dbraw/zinc/40/60/71/1204406071.db2.gz TZJPSZSOYHWSRG-SFHVURJKSA-N 1 2 334.366 2.261 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2sc(=O)[nH]c2Cl)C1=O ZINC001274175203 1204436885 /nfs/dbraw/zinc/43/68/85/1204436885.db2.gz ZBADEFYOTUJMTP-CQSZACIVSA-N 1 2 327.837 2.255 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2sc(=O)[nH]c2Cl)C1=O ZINC001274175203 1204436886 /nfs/dbraw/zinc/43/68/86/1204436886.db2.gz ZBADEFYOTUJMTP-CQSZACIVSA-N 1 2 327.837 2.255 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@H]2C)CC1 ZINC001012041110 1224848547 /nfs/dbraw/zinc/84/85/47/1224848547.db2.gz HCZAKDCMIYWPJU-GDBMZVCRSA-N 1 2 344.459 2.113 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ncccc1Cl)C2 ZINC001274246283 1204974511 /nfs/dbraw/zinc/97/45/11/1204974511.db2.gz MEEOHLFOPXFIQO-GOSISDBHSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ncccc1Cl)C2 ZINC001274246283 1204974513 /nfs/dbraw/zinc/97/45/13/1204974513.db2.gz MEEOHLFOPXFIQO-GOSISDBHSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(C)CN1CC[C@]2(CCCN2c2nc(N3CCCC3)cc[nH+]2)C1=O ZINC001274716527 1205139611 /nfs/dbraw/zinc/13/96/11/1205139611.db2.gz JKLOTRXPZIFSBY-LJQANCHMSA-N 1 2 341.459 2.224 20 30 EEEDLO Cn1c[nH+]cc1CN1C(=O)CC[C@@H]2[C@H]1CCN2c1ccccc1C#N ZINC001274817851 1205172994 /nfs/dbraw/zinc/17/29/94/1205172994.db2.gz UFKIEKBCJWACFY-QZTJIDSGSA-N 1 2 335.411 2.062 20 30 EEEDLO N#Cc1ccccc1N1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001274818369 1205179219 /nfs/dbraw/zinc/17/92/19/1205179219.db2.gz ZWEMXUIRDBKBOG-QZTJIDSGSA-N 1 2 335.411 2.025 20 30 EEEDLO Cc1ccc(C[NH+]2CC3(CCN3Cc3cccc(=O)[nH]3)C2)cc1C#N ZINC001275373629 1205327035 /nfs/dbraw/zinc/32/70/35/1205327035.db2.gz JCLWXVYDLJIKPV-UHFFFAOYSA-N 1 2 334.423 2.428 20 30 EEEDLO Cn1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)cc1Cl ZINC001015205734 1224907511 /nfs/dbraw/zinc/90/75/11/1224907511.db2.gz MBBVKMXBTFXESA-SNVBAGLBSA-N 1 2 349.847 2.011 20 30 EEEDLO Cn1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)cc1Cl ZINC001015205734 1224907518 /nfs/dbraw/zinc/90/75/18/1224907518.db2.gz MBBVKMXBTFXESA-SNVBAGLBSA-N 1 2 349.847 2.011 20 30 EEEDLO Cc1cnc(F)c(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c1 ZINC001276210214 1205836364 /nfs/dbraw/zinc/83/63/64/1205836364.db2.gz VIGPOHQGEBSKHY-UHFFFAOYSA-N 1 2 339.418 2.057 20 30 EEEDLO N#Cc1cc(CN2C[C@@H]3C[N@@H+](Cc4ccc[nH]4)C[C@H](C2)O3)ccc1F ZINC001276238756 1205849454 /nfs/dbraw/zinc/84/94/54/1205849454.db2.gz RJUPVCDANIUEGZ-HDICACEKSA-N 1 2 340.402 2.111 20 30 EEEDLO N#Cc1cc(CN2C[C@@H]3C[N@H+](Cc4ccc[nH]4)C[C@H](C2)O3)ccc1F ZINC001276238756 1205849456 /nfs/dbraw/zinc/84/94/56/1205849456.db2.gz RJUPVCDANIUEGZ-HDICACEKSA-N 1 2 340.402 2.111 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C)C1 ZINC001015212827 1224923882 /nfs/dbraw/zinc/92/38/82/1224923882.db2.gz JBKDBIPUTQSJRS-LSDHHAIUSA-N 1 2 344.459 2.113 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc(C)on2)C[C@H]1C ZINC000947002210 1206096622 /nfs/dbraw/zinc/09/66/22/1206096622.db2.gz YCFKWSQRYOLHQT-PWSUYJOCSA-N 1 2 342.237 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)on2)C[C@H]1C ZINC000947002210 1206096623 /nfs/dbraw/zinc/09/66/23/1206096623.db2.gz YCFKWSQRYOLHQT-PWSUYJOCSA-N 1 2 342.237 2.474 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc3c(c2)C(=O)CCC3)C1 ZINC000930271925 1206545773 /nfs/dbraw/zinc/54/57/73/1206545773.db2.gz SGESLLRWXIBGLZ-MRXNPFEDSA-N 1 2 325.412 2.425 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc3c(c2)C(=O)CCC3)C1 ZINC000930271925 1206545774 /nfs/dbraw/zinc/54/57/74/1206545774.db2.gz SGESLLRWXIBGLZ-MRXNPFEDSA-N 1 2 325.412 2.425 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC1(Nc2cc[nH+]c(C)n2)CCOCC1 ZINC001110995835 1206576569 /nfs/dbraw/zinc/57/65/69/1206576569.db2.gz SEGWVJHYMKAXTJ-UHFFFAOYSA-N 1 2 332.448 2.465 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2cnns2)[C@H](C)C1 ZINC000947391644 1208556419 /nfs/dbraw/zinc/55/64/19/1208556419.db2.gz OLEPWKYIUDSEHI-KGLIPLIRSA-N 1 2 345.472 2.309 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2cnns2)[C@H](C)C1 ZINC000947391644 1208556421 /nfs/dbraw/zinc/55/64/21/1208556421.db2.gz OLEPWKYIUDSEHI-KGLIPLIRSA-N 1 2 345.472 2.309 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cnco2)C[C@H]1C ZINC000947584555 1208632034 /nfs/dbraw/zinc/63/20/34/1208632034.db2.gz JOFJOLAJUHRPDH-GHMZBOCLSA-N 1 2 328.210 2.166 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cnco2)C[C@H]1C ZINC000947584555 1208632037 /nfs/dbraw/zinc/63/20/37/1208632037.db2.gz JOFJOLAJUHRPDH-GHMZBOCLSA-N 1 2 328.210 2.166 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3ncc(C)o3)[C@H](C)C2)c1 ZINC000947709913 1208681994 /nfs/dbraw/zinc/68/19/94/1208681994.db2.gz IYOJDDVWOBCBDI-CXAGYDPISA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncc(C)o3)[C@H](C)C2)c1 ZINC000947709913 1208681995 /nfs/dbraw/zinc/68/19/95/1208681995.db2.gz IYOJDDVWOBCBDI-CXAGYDPISA-N 1 2 338.411 2.142 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)c3cc(F)c[nH]3)C2)c1 ZINC001015316972 1225094861 /nfs/dbraw/zinc/09/48/61/1225094861.db2.gz IFIWTTQCATUHCB-CQSZACIVSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)c3cc(F)c[nH]3)C2)c1 ZINC001015316972 1225094864 /nfs/dbraw/zinc/09/48/64/1225094864.db2.gz IFIWTTQCATUHCB-CQSZACIVSA-N 1 2 330.338 2.169 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ncc2ccccn21 ZINC000948936374 1209462468 /nfs/dbraw/zinc/46/24/68/1209462468.db2.gz OZLIXHQRYODUIX-IBGZPJMESA-N 1 2 344.418 2.297 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ncc2ccccn21 ZINC000948936374 1209462471 /nfs/dbraw/zinc/46/24/71/1209462471.db2.gz OZLIXHQRYODUIX-IBGZPJMESA-N 1 2 344.418 2.297 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1Cc2ccncc2C1 ZINC000948958499 1209474556 /nfs/dbraw/zinc/47/45/56/1209474556.db2.gz NKMOOLZZQQTCJH-RXVVDRJESA-N 1 2 345.446 2.145 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1Cc2ccncc2C1 ZINC000948958499 1209474557 /nfs/dbraw/zinc/47/45/57/1209474557.db2.gz NKMOOLZZQQTCJH-RXVVDRJESA-N 1 2 345.446 2.145 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)nn1CC ZINC000948962565 1209476433 /nfs/dbraw/zinc/47/64/33/1209476433.db2.gz QJAGSPHCPMVCOF-LJQANCHMSA-N 1 2 336.439 2.174 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(C)nn1CC ZINC000948962565 1209476436 /nfs/dbraw/zinc/47/64/36/1209476436.db2.gz QJAGSPHCPMVCOF-LJQANCHMSA-N 1 2 336.439 2.174 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC=CCCC3)CC2)C1 ZINC000949395406 1209665475 /nfs/dbraw/zinc/66/54/75/1209665475.db2.gz SLZRQHVETQDQDV-GOSISDBHSA-N 1 2 330.472 2.450 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC=CCCC3)CC2)C1 ZINC000949395406 1209665479 /nfs/dbraw/zinc/66/54/79/1209665479.db2.gz SLZRQHVETQDQDV-GOSISDBHSA-N 1 2 330.472 2.450 20 30 EEEDLO CCN(C(=O)C1CCC1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000949548063 1209736274 /nfs/dbraw/zinc/73/62/74/1209736274.db2.gz SKAVGZYGWPZQGE-UHFFFAOYSA-N 1 2 327.428 2.422 20 30 EEEDLO CCc1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)c(C)nn1 ZINC001015389996 1225185945 /nfs/dbraw/zinc/18/59/45/1225185945.db2.gz ZNDILEFMEILGSL-IBGZPJMESA-N 1 2 348.450 2.203 20 30 EEEDLO CCc1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c(C)nn1 ZINC001015389996 1225185948 /nfs/dbraw/zinc/18/59/48/1225185948.db2.gz ZNDILEFMEILGSL-IBGZPJMESA-N 1 2 348.450 2.203 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c(C)nc(C(C)C)[nH]c2=O)C1 ZINC000951113921 1210625089 /nfs/dbraw/zinc/62/50/89/1210625089.db2.gz NPMZLYWSYAUGKW-UHFFFAOYSA-N 1 2 332.448 2.336 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(-c3cccnc3)on2)C1 ZINC000951563531 1210888247 /nfs/dbraw/zinc/88/82/47/1210888247.db2.gz CHBGNLKKUOVDJK-UHFFFAOYSA-N 1 2 326.400 2.459 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC(N(C)C(=O)c2cccc3[nH+]ccn32)C1 ZINC000954765573 1212572061 /nfs/dbraw/zinc/57/20/61/1212572061.db2.gz AQROXLRHNZUVJK-UHFFFAOYSA-N 1 2 340.427 2.219 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]21 ZINC001114599189 1212948849 /nfs/dbraw/zinc/94/88/49/1212948849.db2.gz XJBRDEWDSXCSQU-PHZGNYQRSA-N 1 2 328.460 2.412 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)C(C)C)C2)CC1 ZINC000956598912 1214121799 /nfs/dbraw/zinc/12/17/99/1214121799.db2.gz IUDDWOZHOPGUBH-DLBZAZTESA-N 1 2 349.519 2.236 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C(C)(C)C)C2)CC1 ZINC000956605898 1214127089 /nfs/dbraw/zinc/12/70/89/1214127089.db2.gz NFITXYHSOPYGTG-OXQOHEQNSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)c4nnc(C)o4)C[C@H]32)CCC1 ZINC001114782733 1215284909 /nfs/dbraw/zinc/28/49/09/1215284909.db2.gz FCJBMBAVSNTFLJ-SPWCGHHHSA-N 1 2 330.432 2.232 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)c4nnc(C)o4)C[C@H]32)CCC1 ZINC001114782733 1215284912 /nfs/dbraw/zinc/28/49/12/1215284912.db2.gz FCJBMBAVSNTFLJ-SPWCGHHHSA-N 1 2 330.432 2.232 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cc[nH+]c(C)n2)C1)OCC ZINC001114793136 1215309001 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2.310 20 30 EEEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001014455135 1226636791 /nfs/dbraw/zinc/63/67/91/1226636791.db2.gz YNHNJYRJFDQFRS-FHWLQOOXSA-N 1 2 341.455 2.310 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H](C[N@H+](C)Cc2nncn2C)C1 ZINC001017201725 1227222765 /nfs/dbraw/zinc/22/27/65/1227222765.db2.gz METYRZQCIMKMNH-CRAIPNDOSA-N 1 2 333.480 2.088 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2nncn2C)C1 ZINC001017201725 1227222769 /nfs/dbraw/zinc/22/27/69/1227222769.db2.gz METYRZQCIMKMNH-CRAIPNDOSA-N 1 2 333.480 2.088 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc([C@@H](C)OC)n1 ZINC001017555462 1227518087 /nfs/dbraw/zinc/51/80/87/1227518087.db2.gz NZYRDMBPJNMJJS-MCIONIFRSA-N 1 2 333.457 2.163 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc([C@@H](C)OC)n1 ZINC001017555462 1227518093 /nfs/dbraw/zinc/51/80/93/1227518093.db2.gz NZYRDMBPJNMJJS-MCIONIFRSA-N 1 2 333.457 2.163 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cccc(OC)c1F ZINC001017601635 1227563452 /nfs/dbraw/zinc/56/34/52/1227563452.db2.gz JKDRZYGBBKTAEU-IYBDPMFKSA-N 1 2 330.403 2.075 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cccc(OC)c1F ZINC001017601635 1227563456 /nfs/dbraw/zinc/56/34/56/1227563456.db2.gz JKDRZYGBBKTAEU-IYBDPMFKSA-N 1 2 330.403 2.075 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@H]1n1cccn1 ZINC001017628913 1227584774 /nfs/dbraw/zinc/58/47/74/1227584774.db2.gz TVUPTKMNSRRSLB-ZSYWTGECSA-N 1 2 340.471 2.313 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@H]1n1cccn1 ZINC001017628913 1227584777 /nfs/dbraw/zinc/58/47/77/1227584777.db2.gz TVUPTKMNSRRSLB-ZSYWTGECSA-N 1 2 340.471 2.313 20 30 EEEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)c2ccccc2[nH]1 ZINC001017713116 1227666817 /nfs/dbraw/zinc/66/68/17/1227666817.db2.gz HNTUERVOBZOCKD-GASCZTMLSA-N 1 2 337.423 2.393 20 30 EEEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)c2ccccc2[nH]1 ZINC001017713116 1227666819 /nfs/dbraw/zinc/66/68/19/1227666819.db2.gz HNTUERVOBZOCKD-GASCZTMLSA-N 1 2 337.423 2.393 20 30 EEEDLO COC1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1 ZINC001038639875 1228921263 /nfs/dbraw/zinc/92/12/63/1228921263.db2.gz SLPQHGQYWAIQRX-GPJFCIFZSA-N 1 2 340.467 2.434 20 30 EEEDLO COC1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)CC1 ZINC001038639875 1228921269 /nfs/dbraw/zinc/92/12/69/1228921269.db2.gz SLPQHGQYWAIQRX-GPJFCIFZSA-N 1 2 340.467 2.434 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nc([C@H](C)OC)no3)C2)CC1 ZINC001019330967 1228997501 /nfs/dbraw/zinc/99/75/01/1228997501.db2.gz FZJCXHVWMMVDSI-ZFWWWQNUSA-N 1 2 348.447 2.214 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@H]2C)C1 ZINC001020264780 1229591769 /nfs/dbraw/zinc/59/17/69/1229591769.db2.gz IGVLEICZCAIXES-PMPSAXMXSA-N 1 2 344.459 2.296 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC(=O)N2CCCCCC2)CC1 ZINC001038661604 1229958609 /nfs/dbraw/zinc/95/86/09/1229958609.db2.gz LRTRVISTYQTRIW-GOSISDBHSA-N 1 2 347.503 2.326 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2CC(=O)N2CCCCCC2)CC1 ZINC001038661604 1229958611 /nfs/dbraw/zinc/95/86/11/1229958611.db2.gz LRTRVISTYQTRIW-GOSISDBHSA-N 1 2 347.503 2.326 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(C(F)F)n[nH]2)cc1 ZINC001038690179 1229977989 /nfs/dbraw/zinc/97/79/89/1229977989.db2.gz GTMNQOXUYDEJRG-ZDUSSCGKSA-N 1 2 345.353 2.223 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(C(F)F)n[nH]2)cc1 ZINC001038690179 1229977991 /nfs/dbraw/zinc/97/79/91/1229977991.db2.gz GTMNQOXUYDEJRG-ZDUSSCGKSA-N 1 2 345.353 2.223 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(C3CC3)no2)cc1 ZINC001038771011 1230039337 /nfs/dbraw/zinc/03/93/37/1230039337.db2.gz UQYIBVIKWVFUGE-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(C3CC3)no2)cc1 ZINC001038771011 1230039340 /nfs/dbraw/zinc/03/93/40/1230039340.db2.gz UQYIBVIKWVFUGE-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2Cl)nn1 ZINC001038792479 1230061192 /nfs/dbraw/zinc/06/11/92/1230061192.db2.gz VTQKXZOZTBJZMC-AWEZNQCLSA-N 1 2 345.834 2.122 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2Cl)nn1 ZINC001038792479 1230061195 /nfs/dbraw/zinc/06/11/95/1230061195.db2.gz VTQKXZOZTBJZMC-AWEZNQCLSA-N 1 2 345.834 2.122 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cnc(C)s1 ZINC001038798582 1230064844 /nfs/dbraw/zinc/06/48/44/1230064844.db2.gz RBHCBVVTRTYPQO-KBMXLJTQSA-N 1 2 335.473 2.123 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cnc(C)s1 ZINC001038798582 1230064849 /nfs/dbraw/zinc/06/48/49/1230064849.db2.gz RBHCBVVTRTYPQO-KBMXLJTQSA-N 1 2 335.473 2.123 20 30 EEEDLO C=CCOc1cccnc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccnc1 ZINC001038905005 1230151440 /nfs/dbraw/zinc/15/14/40/1230151440.db2.gz LYAOWQYBYVFESK-INIZCTEOSA-N 1 2 338.411 2.046 20 30 EEEDLO C=CCOc1cccnc1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccnc1 ZINC001038905005 1230151441 /nfs/dbraw/zinc/15/14/41/1230151441.db2.gz LYAOWQYBYVFESK-INIZCTEOSA-N 1 2 338.411 2.046 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C(N)=O)c1 ZINC001039395615 1230578363 /nfs/dbraw/zinc/57/83/63/1230578363.db2.gz BLRVCSXLYRCZBY-CVEARBPZSA-N 1 2 347.846 2.217 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C(N)=O)c1 ZINC001039395615 1230578365 /nfs/dbraw/zinc/57/83/65/1230578365.db2.gz BLRVCSXLYRCZBY-CVEARBPZSA-N 1 2 347.846 2.217 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nn(CC)nc1C ZINC001039477751 1230641182 /nfs/dbraw/zinc/64/11/82/1230641182.db2.gz DWAIXRAXWQHFIW-KGLIPLIRSA-N 1 2 337.855 2.038 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nn(CC)nc1C ZINC001039477751 1230641183 /nfs/dbraw/zinc/64/11/83/1230641183.db2.gz DWAIXRAXWQHFIW-KGLIPLIRSA-N 1 2 337.855 2.038 20 30 EEEDLO CO[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001039523722 1230675214 /nfs/dbraw/zinc/67/52/14/1230675214.db2.gz MAWIHUFSSLPZBU-JCGIZDLHSA-N 1 2 327.428 2.158 20 30 EEEDLO CO[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001039523722 1230675216 /nfs/dbraw/zinc/67/52/16/1230675216.db2.gz MAWIHUFSSLPZBU-JCGIZDLHSA-N 1 2 327.428 2.158 20 30 EEEDLO Cn1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(C#N)cc2)n1 ZINC001040000871 1230958525 /nfs/dbraw/zinc/95/85/25/1230958525.db2.gz BZXUCZOKIBWPNA-HDICACEKSA-N 1 2 349.438 2.171 20 30 EEEDLO Cn1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)cc2)n1 ZINC001040000871 1230958526 /nfs/dbraw/zinc/95/85/26/1230958526.db2.gz BZXUCZOKIBWPNA-HDICACEKSA-N 1 2 349.438 2.171 20 30 EEEDLO Cc1noc([C@H](C)[N@@H+]2CCC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)n1 ZINC001040199172 1231095408 /nfs/dbraw/zinc/09/54/08/1231095408.db2.gz ZBWJDYDXMLOGIQ-LIRRHRJNSA-N 1 2 342.443 2.167 20 30 EEEDLO Cc1noc([C@H](C)[N@H+]2CCC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)n1 ZINC001040199172 1231095410 /nfs/dbraw/zinc/09/54/10/1231095410.db2.gz ZBWJDYDXMLOGIQ-LIRRHRJNSA-N 1 2 342.443 2.167 20 30 EEEDLO C=C(Cl)CN1CCC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040298642 1231158344 /nfs/dbraw/zinc/15/83/44/1231158344.db2.gz YONRBEPZUJARKO-KRWDZBQOSA-N 1 2 336.867 2.259 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cncc3C)C2)C1 ZINC001040298642 1231158348 /nfs/dbraw/zinc/15/83/48/1231158348.db2.gz YONRBEPZUJARKO-KRWDZBQOSA-N 1 2 336.867 2.259 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cncc3C)C2)C1 ZINC001040298642 1231158349 /nfs/dbraw/zinc/15/83/49/1231158349.db2.gz YONRBEPZUJARKO-KRWDZBQOSA-N 1 2 336.867 2.259 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4nnc(C)[nH]4)C3)C2)CC1 ZINC001041637074 1231632804 /nfs/dbraw/zinc/63/28/04/1231632804.db2.gz YFFRUFPDTQLPIQ-LJQANCHMSA-N 1 2 343.475 2.284 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@]3(CC[N@H+](Cc4nnc(C)[nH]4)C3)C2)CC1 ZINC001041637074 1231632807 /nfs/dbraw/zinc/63/28/07/1231632807.db2.gz YFFRUFPDTQLPIQ-LJQANCHMSA-N 1 2 343.475 2.284 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]2C)c1 ZINC001042472754 1232081266 /nfs/dbraw/zinc/08/12/66/1232081266.db2.gz DEHSENMJANSEJJ-KZULUSFZSA-N 1 2 349.438 2.033 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001043429942 1232430285 /nfs/dbraw/zinc/43/02/85/1232430285.db2.gz OMPKGOPLCNJOAF-TZMCWYRMSA-N 1 2 342.447 2.224 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(CC)no1 ZINC001045051797 1233467948 /nfs/dbraw/zinc/46/79/48/1233467948.db2.gz DSTITCLWQARNHI-LBPRGKRZSA-N 1 2 340.855 2.491 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1nc([C@@H](C)OC)no1 ZINC001045149675 1233539179 /nfs/dbraw/zinc/53/91/79/1233539179.db2.gz NCVXEOVAHWJYLM-OLZOCXBDSA-N 1 2 336.436 2.070 20 30 EEEDLO C=CCn1cccc1C(=O)NC1(C)CC[NH+](Cc2cnns2)CC1 ZINC001045461636 1233758136 /nfs/dbraw/zinc/75/81/36/1233758136.db2.gz JAGDFDFWGDRXDI-UHFFFAOYSA-N 1 2 345.472 2.310 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nc(C)no2)C1 ZINC001045844179 1234060190 /nfs/dbraw/zinc/06/01/90/1234060190.db2.gz JBIWGBOAPJFKPH-CABCVRRESA-N 1 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ZINC001046176525 1234517763 /nfs/dbraw/zinc/51/77/63/1234517763.db2.gz FNBRXNWNLUZRNH-VQIMIIECSA-N 1 2 346.858 2.309 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)c(C)s1 ZINC001046224922 1234571498 /nfs/dbraw/zinc/57/14/98/1234571498.db2.gz WJAYIEYKPHSSDY-KRWDZBQOSA-N 1 2 343.456 2.354 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)c(C)s1 ZINC001046224922 1234571501 /nfs/dbraw/zinc/57/15/01/1234571501.db2.gz WJAYIEYKPHSSDY-KRWDZBQOSA-N 1 2 343.456 2.354 20 30 EEEDLO C[C@]1(NC(=O)c2ncc[nH]2)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046300723 1234645587 /nfs/dbraw/zinc/64/55/87/1234645587.db2.gz ATYWJUBTZMEPOB-SFHVURJKSA-N 1 2 342.830 2.309 20 30 EEEDLO C[C@]1(NC(=O)c2ncc[nH]2)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046300723 1234645590 /nfs/dbraw/zinc/64/55/90/1234645590.db2.gz ATYWJUBTZMEPOB-SFHVURJKSA-N 1 2 342.830 2.309 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC001046374385 1234723858 /nfs/dbraw/zinc/72/38/58/1234723858.db2.gz NWOSVXJBPBJWKH-BEFAXECRSA-N 1 2 339.443 2.420 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@H+]([C@H](C)c2ncccn2)C1 ZINC001046374385 1234723862 /nfs/dbraw/zinc/72/38/62/1234723862.db2.gz NWOSVXJBPBJWKH-BEFAXECRSA-N 1 2 339.443 2.420 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C(F)(F)F)ncn2)C1 ZINC001046482028 1234854306 /nfs/dbraw/zinc/85/43/06/1234854306.db2.gz VZJXBPATJLIAGZ-ZDUSSCGKSA-N 1 2 348.756 2.442 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(C(F)(F)F)ncn2)C1 ZINC001046482028 1234854308 /nfs/dbraw/zinc/85/43/08/1234854308.db2.gz VZJXBPATJLIAGZ-ZDUSSCGKSA-N 1 2 348.756 2.442 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001046748085 1235143913 /nfs/dbraw/zinc/14/39/13/1235143913.db2.gz FULYFAPQWDBUAA-QGZVFWFLSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001046748085 1235143917 /nfs/dbraw/zinc/14/39/17/1235143917.db2.gz FULYFAPQWDBUAA-QGZVFWFLSA-N 1 2 345.834 2.418 20 30 EEEDLO Cc1conc1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046756504 1235153574 /nfs/dbraw/zinc/15/35/74/1235153574.db2.gz AEEUDXOKEJLQNM-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1conc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046756504 1235153575 /nfs/dbraw/zinc/15/35/75/1235153575.db2.gz AEEUDXOKEJLQNM-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2COc3ccccc3O2)C1 ZINC001046810840 1235208561 /nfs/dbraw/zinc/20/85/61/1235208561.db2.gz HHRAGATXTQYRKU-WBVHZDCISA-N 1 2 336.819 2.160 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2COc3ccccc3O2)C1 ZINC001046810840 1235208565 /nfs/dbraw/zinc/20/85/65/1235208565.db2.gz HHRAGATXTQYRKU-WBVHZDCISA-N 1 2 336.819 2.160 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCCO2)C1 ZINC001046926767 1235315302 /nfs/dbraw/zinc/31/53/02/1235315302.db2.gz CKZIDRYNBDURIP-OLZOCXBDSA-N 1 2 336.810 2.381 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCCO2)C1 ZINC001046926767 1235315304 /nfs/dbraw/zinc/31/53/04/1235315304.db2.gz CKZIDRYNBDURIP-OLZOCXBDSA-N 1 2 336.810 2.381 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=C)Cl)CCC1(F)F ZINC001046973052 1235375414 /nfs/dbraw/zinc/37/54/14/1235375414.db2.gz JPHIMYAHKKUQEO-MCIONIFRSA-N 1 2 348.821 2.403 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=C)Cl)CCC1(F)F ZINC001046973052 1235375418 /nfs/dbraw/zinc/37/54/18/1235375418.db2.gz JPHIMYAHKKUQEO-MCIONIFRSA-N 1 2 348.821 2.403 20 30 EEEDLO Cc1cccc(C(=O)N(C)[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@H]2O)c1 ZINC001047290610 1235816610 /nfs/dbraw/zinc/81/66/10/1235816610.db2.gz CJUKGHVBUVPGGJ-PMACEKPBSA-N 1 2 349.434 2.184 20 30 EEEDLO Cc1cccc(C(=O)N(C)[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@@H]2O)c1 ZINC001047290610 1235816612 /nfs/dbraw/zinc/81/66/12/1235816612.db2.gz CJUKGHVBUVPGGJ-PMACEKPBSA-N 1 2 349.434 2.184 20 30 EEEDLO CCOC(=O)[C@@H](CCc1ccccc1)[NH2+]C1CCN(CC#N)CC1 ZINC000901536211 1235935462 /nfs/dbraw/zinc/93/54/62/1235935462.db2.gz LCFOZESZNIQWFM-GOSISDBHSA-N 1 2 329.444 2.128 20 30 EEEDLO C=CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001047708007 1236432292 /nfs/dbraw/zinc/43/22/92/1236432292.db2.gz KASYOFLWLQLAKR-XIRDDKMYSA-N 1 2 344.459 2.194 20 30 EEEDLO C=CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001047708007 1236432296 /nfs/dbraw/zinc/43/22/96/1236432296.db2.gz KASYOFLWLQLAKR-XIRDDKMYSA-N 1 2 344.459 2.194 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001096272647 1236964899 /nfs/dbraw/zinc/96/48/99/1236964899.db2.gz VIQVNILDDKCOOH-SQNIBIBYSA-N 1 2 335.407 2.370 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001096272647 1236964905 /nfs/dbraw/zinc/96/49/05/1236964905.db2.gz VIQVNILDDKCOOH-SQNIBIBYSA-N 1 2 335.407 2.370 20 30 EEEDLO CCC[C@H](CC)C(=O)NCC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC001096289158 1237137349 /nfs/dbraw/zinc/13/73/49/1237137349.db2.gz FLBBEURWZTVBBG-KRWDZBQOSA-N 1 2 343.475 2.018 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096344757 1237527150 /nfs/dbraw/zinc/52/71/50/1237527150.db2.gz CVELYWCNWZSWEH-MRXNPFEDSA-N 1 2 332.448 2.080 20 30 EEEDLO N#Cc1c(F)cccc1N1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001096395617 1238237118 /nfs/dbraw/zinc/23/71/18/1238237118.db2.gz NXWMZWBGLQCAKG-AWEZNQCLSA-N 1 2 341.390 2.069 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056406544 1239331029 /nfs/dbraw/zinc/33/10/29/1239331029.db2.gz YANAHFSLQUDXQJ-HZPDHXFCSA-N 1 2 344.459 2.146 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001056423007 1239357137 /nfs/dbraw/zinc/35/71/37/1239357137.db2.gz ILACQTYKTXGVLS-USXIJHARSA-N 1 2 344.459 2.146 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001056423007 1239357145 /nfs/dbraw/zinc/35/71/45/1239357145.db2.gz ILACQTYKTXGVLS-USXIJHARSA-N 1 2 344.459 2.146 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001056481169 1239402697 /nfs/dbraw/zinc/40/26/97/1239402697.db2.gz FTQKUIHLSSGCST-IAGOWNOFSA-N 1 2 344.459 2.221 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@@H]2[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)c(C)[nH+]1 ZINC001056489704 1239407162 /nfs/dbraw/zinc/40/71/62/1239407162.db2.gz QNUWQYPFVATLPF-MNZLEMJZSA-N 1 2 347.422 2.138 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C(C)C)n3C)C[C@@H]2C1 ZINC001048979218 1239644241 /nfs/dbraw/zinc/64/42/41/1239644241.db2.gz PXQNEJOJCAPCMZ-GASCZTMLSA-N 1 2 345.491 2.041 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C(C)C)n3C)C[C@@H]2C1 ZINC001048979218 1239644252 /nfs/dbraw/zinc/64/42/52/1239644252.db2.gz PXQNEJOJCAPCMZ-GASCZTMLSA-N 1 2 345.491 2.041 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nn(C)cc3Cl)C[C@@H]2C1 ZINC001048982751 1239652833 /nfs/dbraw/zinc/65/28/33/1239652833.db2.gz ZSKYFMGTDQKVAI-BETUJISGSA-N 1 2 336.867 2.176 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nn(C)cc3Cl)C[C@@H]2C1 ZINC001048982751 1239652841 /nfs/dbraw/zinc/65/28/41/1239652841.db2.gz ZSKYFMGTDQKVAI-BETUJISGSA-N 1 2 336.867 2.176 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@H]([NH2+]Cc3nc(CC)no3)C2)CC1 ZINC001000086709 1239917588 /nfs/dbraw/zinc/91/75/88/1239917588.db2.gz CYBNQKVUQKTVQD-HNNXBMFYSA-N 1 2 332.448 2.459 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([NH2+]Cc3nc([C@@H](C)OC)no3)C2)C1 ZINC001000129230 1239976085 /nfs/dbraw/zinc/97/60/85/1239976085.db2.gz VERYERRWFKBILQ-KGLIPLIRSA-N 1 2 348.447 2.214 20 30 EEEDLO Cc1cc(N2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC001049249086 1240378442 /nfs/dbraw/zinc/37/84/42/1240378442.db2.gz VYJSXFKJVVCMCB-MAZHCROVSA-N 1 2 339.443 2.107 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CSC ZINC001049316645 1240525912 /nfs/dbraw/zinc/52/59/12/1240525912.db2.gz XNCXUVALEPQAPZ-RYUDHWBXSA-N 1 2 333.295 2.323 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CSC ZINC001049316645 1240525919 /nfs/dbraw/zinc/52/59/19/1240525919.db2.gz XNCXUVALEPQAPZ-RYUDHWBXSA-N 1 2 333.295 2.323 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)OC ZINC001049371224 1240704986 /nfs/dbraw/zinc/70/49/86/1240704986.db2.gz BIMMVXJLTKQAIA-BFHYXJOUSA-N 1 2 345.281 2.385 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)OC ZINC001049371224 1240705002 /nfs/dbraw/zinc/70/50/02/1240705002.db2.gz BIMMVXJLTKQAIA-BFHYXJOUSA-N 1 2 345.281 2.385 20 30 EEEDLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CCC(Nc2ncccc2C#N)CC1 ZINC001067915971 1249965710 /nfs/dbraw/zinc/96/57/10/1249965710.db2.gz QKMGVQZCWRRHFB-UHFFFAOYSA-N 1 2 338.415 2.101 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC001049903795 1242627951 /nfs/dbraw/zinc/62/79/51/1242627951.db2.gz ZRYNYHJHBPWWDD-MSOLQXFVSA-N 1 2 338.411 2.372 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC001049903795 1242627959 /nfs/dbraw/zinc/62/79/59/1242627959.db2.gz ZRYNYHJHBPWWDD-MSOLQXFVSA-N 1 2 338.411 2.372 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001074038916 1242918960 /nfs/dbraw/zinc/91/89/60/1242918960.db2.gz NZGGFDSQYKXCNV-SJORKVTESA-N 1 2 346.475 2.373 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)CC=C(C)CC1)C2 ZINC001111435580 1243110631 /nfs/dbraw/zinc/11/06/31/1243110631.db2.gz UJOWKVYNNCMYPM-WWNBULGVSA-N 1 2 345.487 2.147 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)CC=C(C)CC1)C2 ZINC001111435580 1243110635 /nfs/dbraw/zinc/11/06/35/1243110635.db2.gz UJOWKVYNNCMYPM-WWNBULGVSA-N 1 2 345.487 2.147 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](Nc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001096728147 1243171868 /nfs/dbraw/zinc/17/18/68/1243171868.db2.gz JLFYKAPQOHYVQP-GOEBONIOSA-N 1 2 344.459 2.253 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NC[C@@H](Nc1cc[nH+]c(C)n1)C1CC1)OCC ZINC001096746175 1243220941 /nfs/dbraw/zinc/22/09/41/1243220941.db2.gz JSYRZSUGOLNJJL-HZPDHXFCSA-N 1 2 332.448 2.463 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001096945574 1243521975 /nfs/dbraw/zinc/52/19/75/1243521975.db2.gz AZELOOJJCWRCQI-ZFWWWQNUSA-N 1 2 330.432 2.266 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001097018037 1243581596 /nfs/dbraw/zinc/58/15/96/1243581596.db2.gz GWFIPRBDNJSIPG-HAQNSBGRSA-N 1 2 327.363 2.112 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H]2C[C@@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)n1 ZINC001097254748 1243879054 /nfs/dbraw/zinc/87/90/54/1243879054.db2.gz SLGFKHIPNVQDIM-CWRNSKLLSA-N 1 2 338.415 2.169 20 30 EEEDLO N#Cc1c(F)cccc1N1CCCC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001097466673 1244219286 /nfs/dbraw/zinc/21/92/86/1244219286.db2.gz NGERMRNPUFENPW-CQSZACIVSA-N 1 2 341.390 2.138 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(F)ccc2ccncc21 ZINC001050928519 1244646593 /nfs/dbraw/zinc/64/65/93/1244646593.db2.gz GYEWCLQICWGJBC-HNNXBMFYSA-N 1 2 343.402 2.381 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(F)ccc2ccncc21 ZINC001050928519 1244646600 /nfs/dbraw/zinc/64/66/00/1244646600.db2.gz GYEWCLQICWGJBC-HNNXBMFYSA-N 1 2 343.402 2.381 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(Cl)cc1F ZINC001051015325 1244853953 /nfs/dbraw/zinc/85/39/53/1244853953.db2.gz HLKATHDSJJAHOQ-CYBMUJFWSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(Cl)cc1F ZINC001051015325 1244853960 /nfs/dbraw/zinc/85/39/60/1244853960.db2.gz HLKATHDSJJAHOQ-CYBMUJFWSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Cl)c(OC)c1 ZINC001051150173 1245050262 /nfs/dbraw/zinc/05/02/62/1245050262.db2.gz NVNPNISDIXOASA-AWEZNQCLSA-N 1 2 338.835 2.355 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Cl)c(OC)c1 ZINC001051150173 1245050270 /nfs/dbraw/zinc/05/02/70/1245050270.db2.gz NVNPNISDIXOASA-AWEZNQCLSA-N 1 2 338.835 2.355 20 30 EEEDLO CCCN(CCNC(=O)CCc1[nH]cc[nH+]1)c1snc(C)c1C#N ZINC001101128356 1245432323 /nfs/dbraw/zinc/43/23/23/1245432323.db2.gz IJLSYHUVXRIJAQ-UHFFFAOYSA-N 1 2 346.460 2.012 20 30 EEEDLO Cc1cc(N(CCNC(=O)C#CC2CC2)C2CC2)nc(C(C)C)[nH+]1 ZINC001101334232 1245676329 /nfs/dbraw/zinc/67/63/29/1245676329.db2.gz YVXXHLGIJJOAEH-UHFFFAOYSA-N 1 2 326.444 2.407 20 30 EEEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4nnc(C)o4)C[C@@]3(C)C2)CC1 ZINC001101354069 1245704142 /nfs/dbraw/zinc/70/41/42/1245704142.db2.gz OMWBIWLCOOSVET-QAPCUYQASA-N 1 2 344.459 2.405 20 30 EEEDLO C=CCCC1(C(=O)N2C[C@H]3C[N@H+](Cc4nnc(C)o4)C[C@@]3(C)C2)CC1 ZINC001101354069 1245704149 /nfs/dbraw/zinc/70/41/49/1245704149.db2.gz OMWBIWLCOOSVET-QAPCUYQASA-N 1 2 344.459 2.405 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([C@H](C)NC(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001051537103 1245852826 /nfs/dbraw/zinc/85/28/26/1245852826.db2.gz AAMGTUSFHQNGJQ-LSDHHAIUSA-N 1 2 344.459 2.052 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccc3ncccc31)CCO2 ZINC001053364487 1246237454 /nfs/dbraw/zinc/23/74/54/1246237454.db2.gz GPMOBVGMLLSZIT-UHFFFAOYSA-N 1 2 337.423 2.338 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)CC3CCC3)C2)CC1 ZINC001052003879 1246364603 /nfs/dbraw/zinc/36/46/03/1246364603.db2.gz DYNUDEOITLRCKN-INIZCTEOSA-N 1 2 325.884 2.148 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)CC1 ZINC001052031662 1246396363 /nfs/dbraw/zinc/39/63/63/1246396363.db2.gz TVZLVNSWWLYJQO-FUMNGEBKSA-N 1 2 343.515 2.383 20 30 EEEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)C2)CC1 ZINC001052031373 1246396432 /nfs/dbraw/zinc/39/64/32/1246396432.db2.gz LYSBZEIZCBOYTI-GBESFXJTSA-N 1 2 345.531 2.301 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(C(C)C)nc3)C2)CC1 ZINC001052036637 1246404621 /nfs/dbraw/zinc/40/46/21/1246404621.db2.gz RCJNGFPUPXEFKU-GOSISDBHSA-N 1 2 342.487 2.223 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1ccccc1Cl)CCO2 ZINC001053525323 1246431628 /nfs/dbraw/zinc/43/16/28/1246431628.db2.gz BPXUUIAGZNDPLU-UHFFFAOYSA-N 1 2 334.847 2.372 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C3(C(C)(F)F)CC3)C2)CC1 ZINC001052081720 1246459713 /nfs/dbraw/zinc/45/97/13/1246459713.db2.gz FPXWPFFTOSXBNX-HNNXBMFYSA-N 1 2 341.446 2.216 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)Cc3ccco3)C2)CC1 ZINC001052093212 1246472294 /nfs/dbraw/zinc/47/22/94/1246472294.db2.gz LQGNLOPJBVCLHT-MSOLQXFVSA-N 1 2 345.487 2.253 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)Cc3ccco3)C2)CC1 ZINC001052093217 1246472881 /nfs/dbraw/zinc/47/28/81/1246472881.db2.gz LQGNLOPJBVCLHT-ZWKOTPCHSA-N 1 2 345.487 2.253 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3sccc3C3CC3)C2)CC1 ZINC001052115111 1246498769 /nfs/dbraw/zinc/49/87/69/1246498769.db2.gz SWVHKUZWUQYTRH-MRXNPFEDSA-N 1 2 343.496 2.091 20 30 EEEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3sccc3C3CC3)C2)CC1 ZINC001052115111 1246498772 /nfs/dbraw/zinc/49/87/72/1246498772.db2.gz SWVHKUZWUQYTRH-MRXNPFEDSA-N 1 2 343.496 2.091 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1onc3c1CCCC3)O2 ZINC001053628427 1246557616 /nfs/dbraw/zinc/55/76/16/1246557616.db2.gz NUPSGHBTWJIYMA-CQSZACIVSA-N 1 2 345.443 2.093 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc([C@H](C)CC)no1)O2 ZINC001053674113 1246625855 /nfs/dbraw/zinc/62/58/55/1246625855.db2.gz IOWZYJSYTXZJSX-ZIAGYGMSSA-N 1 2 333.432 2.337 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc3ccccc3n1)O2 ZINC001053690634 1246657885 /nfs/dbraw/zinc/65/78/85/1246657885.db2.gz PBIVRYQGDCIPDL-MRXNPFEDSA-N 1 2 337.423 2.384 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1COC2(C[NH+](CC=C(C)C)C2)C1 ZINC001053829408 1246859323 /nfs/dbraw/zinc/85/93/23/1246859323.db2.gz FFNRMEADXMEOEU-INIZCTEOSA-N 1 2 329.444 2.213 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(F)c(C)cc1F)CO2 ZINC001053834764 1246873591 /nfs/dbraw/zinc/87/35/91/1246873591.db2.gz VTISQVGGIJSBBK-ZDUSSCGKSA-N 1 2 336.382 2.422 20 30 EEEDLO C[C@@H](c1csnn1)[N@@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052290327 1246905219 /nfs/dbraw/zinc/90/52/19/1246905219.db2.gz NUNBWYKQCRBNRA-WCQYABFASA-N 1 2 344.444 2.083 20 30 EEEDLO C[C@@H](c1csnn1)[N@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052290327 1246905226 /nfs/dbraw/zinc/90/52/26/1246905226.db2.gz NUNBWYKQCRBNRA-WCQYABFASA-N 1 2 344.444 2.083 20 30 EEEDLO N#Cc1cccnc1N[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001057719758 1246916273 /nfs/dbraw/zinc/91/62/73/1246916273.db2.gz UHWHGKYFKSDBHG-HNNXBMFYSA-N 1 2 346.394 2.318 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc(CC3CC3)s1)CO2 ZINC001053874698 1246952090 /nfs/dbraw/zinc/95/20/90/1246952090.db2.gz ICEPPLANFIRMRJ-CQSZACIVSA-N 1 2 347.484 2.245 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2COC3(C[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001053889918 1246973408 /nfs/dbraw/zinc/97/34/08/1246973408.db2.gz VLAPTLWZORLFAO-HXUWFJFHSA-N 1 2 346.430 2.441 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3[nH]ccc3c1)CO2 ZINC001053912259 1247004764 /nfs/dbraw/zinc/00/47/64/1247004764.db2.gz XGWQZSJCNGVPQP-INIZCTEOSA-N 1 2 325.412 2.317 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)cccc1Cl)CO2 ZINC001053916803 1247012142 /nfs/dbraw/zinc/01/21/42/1247012142.db2.gz RWJARSDQKMJUCY-AWEZNQCLSA-N 1 2 332.831 2.245 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1scnc1C(C)C)CO2 ZINC001053949594 1247057276 /nfs/dbraw/zinc/05/72/76/1247057276.db2.gz LIARRDVBZUUUKT-ZDUSSCGKSA-N 1 2 335.473 2.416 20 30 EEEDLO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1c[nH]c(C)cc1=O ZINC001054057333 1247258726 /nfs/dbraw/zinc/25/87/26/1247258726.db2.gz IRCHECIYLSNKCK-KRWDZBQOSA-N 1 2 337.423 2.026 20 30 EEEDLO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1c[nH]c(C)cc1=O ZINC001054057333 1247258737 /nfs/dbraw/zinc/25/87/37/1247258737.db2.gz IRCHECIYLSNKCK-KRWDZBQOSA-N 1 2 337.423 2.026 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(OC)o1 ZINC001054057221 1247259886 /nfs/dbraw/zinc/25/98/86/1247259886.db2.gz FLNNSRHNRBXRDT-KRWDZBQOSA-N 1 2 338.407 2.468 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(OC)o1 ZINC001054057221 1247259892 /nfs/dbraw/zinc/25/98/92/1247259892.db2.gz FLNNSRHNRBXRDT-KRWDZBQOSA-N 1 2 338.407 2.468 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CN(c4cc[nH+]c(C)n4)C[C@@]3(C)C2)cc1 ZINC001052510933 1247455832 /nfs/dbraw/zinc/45/58/32/1247455832.db2.gz BTNHZCIIYVPLCS-NQIIRXRSSA-N 1 2 346.434 2.365 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cn(C)ccc1=O)C2 ZINC001054162431 1247573301 /nfs/dbraw/zinc/57/33/01/1247573301.db2.gz HTOAXNSHMPWVKN-SFHVURJKSA-N 1 2 349.862 2.066 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cn(C)ccc1=O)C2 ZINC001054162431 1247573310 /nfs/dbraw/zinc/57/33/10/1247573310.db2.gz HTOAXNSHMPWVKN-SFHVURJKSA-N 1 2 349.862 2.066 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001052611949 1247684451 /nfs/dbraw/zinc/68/44/51/1247684451.db2.gz OOXSMEJRURJSRB-CABCVRRESA-N 1 2 346.475 2.155 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001052611949 1247684456 /nfs/dbraw/zinc/68/44/56/1247684456.db2.gz OOXSMEJRURJSRB-CABCVRRESA-N 1 2 346.475 2.155 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3ccc4cccnn43)cc2C1 ZINC001054285146 1248007277 /nfs/dbraw/zinc/00/72/77/1248007277.db2.gz UOEXIJIDZWLEIN-UHFFFAOYSA-N 1 2 330.391 2.213 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4cccnn43)cc2C1 ZINC001054285146 1248007288 /nfs/dbraw/zinc/00/72/88/1248007288.db2.gz UOEXIJIDZWLEIN-UHFFFAOYSA-N 1 2 330.391 2.213 20 30 EEEDLO Cc1nc(N[C@@H](C)[C@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001058002365 1248243025 /nfs/dbraw/zinc/24/30/25/1248243025.db2.gz NEWFPXLNNOLNMJ-BLLLJJGKSA-N 1 2 338.415 2.480 20 30 EEEDLO COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)c(OC)c1 ZINC001137450146 1248474087 /nfs/dbraw/zinc/47/40/87/1248474087.db2.gz IIFIBJKMAXJNSW-HNNXBMFYSA-N 1 2 333.409 2.256 20 30 EEEDLO COC(=O)c1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c(OC)c1 ZINC001137450146 1248474093 /nfs/dbraw/zinc/47/40/93/1248474093.db2.gz IIFIBJKMAXJNSW-HNNXBMFYSA-N 1 2 333.409 2.256 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001068141863 1250419756 /nfs/dbraw/zinc/41/97/56/1250419756.db2.gz GRMFICIBPGLGPG-OWCLPIDISA-N 1 2 344.459 2.097 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC1(CC)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001069646115 1253084972 /nfs/dbraw/zinc/08/49/72/1253084972.db2.gz AISOSPJOCFZEGF-OAHLLOKOSA-N 1 2 346.475 2.442 20 30 EEEDLO Cc1nc(N2CCC([C@@H](C)NC(=O)c3ccc(C#N)[nH]3)CC2)cc[nH+]1 ZINC001069646290 1253086006 /nfs/dbraw/zinc/08/60/06/1253086006.db2.gz QKVGUUDYDQOOEF-GFCCVEGCSA-N 1 2 338.415 2.020 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001069759711 1253233005 /nfs/dbraw/zinc/23/30/05/1253233005.db2.gz GJVJNFHRTIOXNX-LJQANCHMSA-N 1 2 344.459 2.081 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001069774408 1253258468 /nfs/dbraw/zinc/25/84/68/1253258468.db2.gz KXDRKSVENIWKIX-IBGZPJMESA-N 1 2 344.459 2.150 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001070675204 1253722771 /nfs/dbraw/zinc/72/27/71/1253722771.db2.gz RPPXTSQDVWPNDM-MRXNPFEDSA-N 1 2 344.459 2.218 20 30 EEEDLO CCC(=O)N1C[C@H](C)O[C@]2(CC[N@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001071114338 1253948033 /nfs/dbraw/zinc/94/80/33/1253948033.db2.gz 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COCC1(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)CC1 ZINC001265294882 1323043873 /nfs/dbraw/zinc/04/38/73/1323043873.db2.gz LRXVDXLQQPRHRY-KRWDZBQOSA-N 1 2 346.858 2.309 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2F)C[C@H]1NC(=O)CSCC#N ZINC001206090418 1323390653 /nfs/dbraw/zinc/39/06/53/1323390653.db2.gz TYUCSALRGZYMPY-IAQYHMDHSA-N 1 2 339.411 2.158 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)C[C@H]1NC(=O)CSCC#N ZINC001206090418 1323390661 /nfs/dbraw/zinc/39/06/61/1323390661.db2.gz TYUCSALRGZYMPY-IAQYHMDHSA-N 1 2 339.411 2.158 20 30 EEEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccn(C)n1)CC2 ZINC001206270205 1323442795 /nfs/dbraw/zinc/44/27/95/1323442795.db2.gz CXOADFOBFUXOOA-UHFFFAOYSA-N 1 2 341.459 2.288 20 30 EEEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccn(C)n1)CC2 ZINC001206270205 1323442797 /nfs/dbraw/zinc/44/27/97/1323442797.db2.gz CXOADFOBFUXOOA-UHFFFAOYSA-N 1 2 341.459 2.288 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C(=O)C(C)(C)C ZINC001206670881 1323557501 /nfs/dbraw/zinc/55/75/01/1323557501.db2.gz WUBKZZONNTWNAS-BXUZGUMPSA-N 1 2 333.457 2.171 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C(=O)C(C)(C)C ZINC001206670881 1323557508 /nfs/dbraw/zinc/55/75/08/1323557508.db2.gz WUBKZZONNTWNAS-BXUZGUMPSA-N 1 2 333.457 2.171 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)NCCCC ZINC001316599732 1324032069 /nfs/dbraw/zinc/03/20/69/1324032069.db2.gz FNLBORGWQHNSRR-HZPDHXFCSA-N 1 2 337.508 2.426 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)NCCCC ZINC001316599732 1324032074 /nfs/dbraw/zinc/03/20/74/1324032074.db2.gz FNLBORGWQHNSRR-HZPDHXFCSA-N 1 2 337.508 2.426 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](OC)C(C)C)C1 ZINC001208500645 1324529209 /nfs/dbraw/zinc/52/92/09/1324529209.db2.gz VPVWRSAASJYIEJ-RAIGVLPGSA-N 1 2 333.270 2.003 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](OC)C(C)C)C1 ZINC001208500645 1324529211 /nfs/dbraw/zinc/52/92/11/1324529211.db2.gz VPVWRSAASJYIEJ-RAIGVLPGSA-N 1 2 333.270 2.003 20 30 EEEDLO Cc1ncsc1C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(C#N)n(C)c1 ZINC001276607961 1324762309 /nfs/dbraw/zinc/76/23/09/1324762309.db2.gz HUODTLGXZQQAJW-IYBDPMFKSA-N 1 2 327.457 2.120 20 30 EEEDLO Cc1ncsc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(C#N)n(C)c1 ZINC001276607961 1324762315 /nfs/dbraw/zinc/76/23/15/1324762315.db2.gz HUODTLGXZQQAJW-IYBDPMFKSA-N 1 2 327.457 2.120 20 30 EEEDLO C=CCNC(=O)[C@@H](C)SCc1cccc(C[NH+]2CCOCC2)c1 ZINC001325472536 1333893355 /nfs/dbraw/zinc/89/33/55/1333893355.db2.gz BSIGJWRHDKQLMC-OAHLLOKOSA-N 1 2 334.485 2.443 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C3CCC3)cc2)C1 ZINC001333584859 1336079850 /nfs/dbraw/zinc/07/98/50/1336079850.db2.gz RLELLPKRYPWHAG-SFHVURJKSA-N 1 2 339.439 2.106 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C3CCC3)cc2)C1 ZINC001333584859 1336079856 /nfs/dbraw/zinc/07/98/56/1336079856.db2.gz RLELLPKRYPWHAG-SFHVURJKSA-N 1 2 339.439 2.106 20 30 EEEDLO CC[C@@H](C[NH+]1CCOCC1)Nc1nc(Br)ccc1C#N ZINC001336727665 1336586632 /nfs/dbraw/zinc/58/66/32/1336586632.db2.gz XQAISQBTLMVVLI-LBPRGKRZSA-N 1 2 339.237 2.238 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC(C)(C)CC1 ZINC001340329731 1337160659 /nfs/dbraw/zinc/16/06/59/1337160659.db2.gz HUDSLHUKPQGXDI-UHFFFAOYSA-N 1 2 347.507 2.295 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)CC1CCOCC1 ZINC001340389340 1337174496 /nfs/dbraw/zinc/17/44/96/1337174496.db2.gz GEIMQEGUQIHXJJ-MRXNPFEDSA-N 1 2 333.480 2.484 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)CC1CCOCC1 ZINC001340389340 1337174499 /nfs/dbraw/zinc/17/44/99/1337174499.db2.gz GEIMQEGUQIHXJJ-MRXNPFEDSA-N 1 2 333.480 2.484 20 30 EEEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCCC1 ZINC001343947573 1337358634 /nfs/dbraw/zinc/35/86/34/1337358634.db2.gz PSUCHKZSOSKRED-HZPDHXFCSA-N 1 2 331.464 2.380 20 30 EEEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCCC1 ZINC001343947573 1337358638 /nfs/dbraw/zinc/35/86/38/1337358638.db2.gz PSUCHKZSOSKRED-HZPDHXFCSA-N 1 2 331.464 2.380 20 30 EEEDLO C=CCC1(O)CCN(c2nnc([C@@H]3CCC[N@H+]3C)n2CC2CC2)CC1 ZINC001346601917 1337487576 /nfs/dbraw/zinc/48/75/76/1337487576.db2.gz JDXYEEKERBVOGB-INIZCTEOSA-N 1 2 345.491 2.362 20 30 EEEDLO C=CCC1(O)CCN(c2nnc([C@@H]3CCC[N@@H+]3C)n2CC2CC2)CC1 ZINC001346601917 1337487578 /nfs/dbraw/zinc/48/75/78/1337487578.db2.gz JDXYEEKERBVOGB-INIZCTEOSA-N 1 2 345.491 2.362 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc4ccn(C)c43)n2CC)CC1 ZINC001352647298 1338018841 /nfs/dbraw/zinc/01/88/41/1338018841.db2.gz IIYKKOICYDTTHX-UHFFFAOYSA-N 1 2 348.454 2.212 20 30 EEEDLO C#CCCCCC(=O)NCC1CC([NH2+]Cc2noc(CCC)n2)C1 ZINC001100259615 1338213490 /nfs/dbraw/zinc/21/34/90/1338213490.db2.gz PCZMVYJINAVUML-UHFFFAOYSA-N 1 2 332.448 2.200 20 30 EEEDLO CCOCCOCC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001354714938 1338590119 /nfs/dbraw/zinc/59/01/19/1338590119.db2.gz XXCODGQNHFSVLY-UHFFFAOYSA-N 1 2 337.851 2.387 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]Cc4c[nH]nn4)[C@@H]3C2)CC1 ZINC001575061169 1343725774 /nfs/dbraw/zinc/72/57/74/1343725774.db2.gz CXHVTMXYDYCOQZ-CGTJXYLNSA-N 1 2 343.475 2.268 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]Cc4cn[nH]n4)[C@@H]3C2)CC1 ZINC001575061169 1343725776 /nfs/dbraw/zinc/72/57/76/1343725776.db2.gz CXHVTMXYDYCOQZ-CGTJXYLNSA-N 1 2 343.475 2.268 20 30 EEEDLO C=C1CCC(C(=O)N2CCC([C@@H](C)[NH2+]Cc3c[nH]nn3)CC2)CC1 ZINC001575063059 1343726387 /nfs/dbraw/zinc/72/63/87/1343726387.db2.gz ZUTJLGDJMKCJSM-CQSZACIVSA-N 1 2 331.464 2.268 20 30 EEEDLO C=C1CCC(C(=O)N2CCC([C@@H](C)[NH2+]Cc3cn[nH]n3)CC2)CC1 ZINC001575063059 1343726389 /nfs/dbraw/zinc/72/63/89/1343726389.db2.gz ZUTJLGDJMKCJSM-CQSZACIVSA-N 1 2 331.464 2.268 20 30 EEEDLO COc1ccc([C@H](NC[C@@H](O)C[N@H+](C)CCC#N)C(F)(F)F)cc1 ZINC001646522038 1352862585 /nfs/dbraw/zinc/86/25/85/1352862585.db2.gz HQLOLAYBAODOGK-HIFRSBDPSA-N 1 2 345.365 2.095 20 30 EEEDLO COc1ccc([C@H](NC[C@@H](O)C[N@@H+](C)CCC#N)C(F)(F)F)cc1 ZINC001646522038 1352862588 /nfs/dbraw/zinc/86/25/88/1352862588.db2.gz HQLOLAYBAODOGK-HIFRSBDPSA-N 1 2 345.365 2.095 20 30 EEEDLO Cn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1C(C)(C)C#N ZINC001646666192 1352910994 /nfs/dbraw/zinc/91/09/94/1352910994.db2.gz PJXYFVPRFOMBPP-UHFFFAOYSA-N 1 2 325.420 2.092 20 30 EEEDLO C[C@H](CC#N)N(C)c1nnc(C[NH+]2CCCCC2)n1C[C@@H]1CCOC1 ZINC001646889561 1353028040 /nfs/dbraw/zinc/02/80/40/1353028040.db2.gz YTTWMZOEBBVOAQ-CVEARBPZSA-N 1 2 346.479 2.039 20 30 EEEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2cc(CC#N)ccn2)C1 ZINC001647387117 1353255523 /nfs/dbraw/zinc/25/55/23/1353255523.db2.gz HZGQSALZSJDBFV-OAHLLOKOSA-N 1 2 338.415 2.368 20 30 EEEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](CF)C1 ZINC001650300565 1353833706 /nfs/dbraw/zinc/83/37/06/1353833706.db2.gz JBSXUCADXLXGHN-AWEZNQCLSA-N 1 2 334.443 2.187 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nc(CC)no3)C[C@H]21 ZINC001187605408 1368257186 /nfs/dbraw/zinc/25/71/86/1368257186.db2.gz JEGUOXKFKGXMKH-OWCLPIDISA-N 1 2 344.459 2.419 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nc(CC)no3)C[C@H]21 ZINC001187605408 1368257194 /nfs/dbraw/zinc/25/71/94/1368257194.db2.gz JEGUOXKFKGXMKH-OWCLPIDISA-N 1 2 344.459 2.419 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2csc(C)c2C)CC1 ZINC001195949660 1368581274 /nfs/dbraw/zinc/58/12/74/1368581274.db2.gz CJKRHWLHMTVPOT-AWEZNQCLSA-N 1 2 349.500 2.204 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2csc(C)c2C)CC1 ZINC001195949660 1368581280 /nfs/dbraw/zinc/58/12/80/1368581280.db2.gz CJKRHWLHMTVPOT-AWEZNQCLSA-N 1 2 349.500 2.204 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C(Cl)Cl ZINC001110552288 1368725594 /nfs/dbraw/zinc/72/55/94/1368725594.db2.gz SVZHVHSXFXTLGY-LPWJVIDDSA-N 1 2 331.243 2.065 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(Cl)Cl ZINC001110552288 1368725598 /nfs/dbraw/zinc/72/55/98/1368725598.db2.gz SVZHVHSXFXTLGY-LPWJVIDDSA-N 1 2 331.243 2.065 20 30 EEEDLO C[C@@]1(c2ccc(F)cc2)CC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525073 1369345398 /nfs/dbraw/zinc/34/53/98/1369345398.db2.gz RTQURUXOFRDWEM-LIRRHRJNSA-N 1 2 343.402 2.425 20 30 EEEDLO C[C@@]1(c2ccc(F)cc2)CC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525073 1369345401 /nfs/dbraw/zinc/34/54/01/1369345401.db2.gz RTQURUXOFRDWEM-LIRRHRJNSA-N 1 2 343.402 2.425 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001073531853 1370875734 /nfs/dbraw/zinc/87/57/34/1370875734.db2.gz JLBDDWKFYMILLH-CQSZACIVSA-N 1 2 326.824 2.470 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001073531853 1370875738 /nfs/dbraw/zinc/87/57/38/1370875738.db2.gz JLBDDWKFYMILLH-CQSZACIVSA-N 1 2 326.824 2.470 20 30 EEEDLO Cc1cc(C(=O)OCCCn2cc[nH+]c2)nn1-c1cccc(C#N)c1 ZINC000784603023 1371427681 /nfs/dbraw/zinc/42/76/81/1371427681.db2.gz DOJXSBMHYYYUBV-UHFFFAOYSA-N 1 2 335.367 2.496 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCCN(c2[nH+]cnc3c2cnn3C)[C@H]1C ZINC001123637453 1372165041 /nfs/dbraw/zinc/16/50/41/1372165041.db2.gz UBEBNSZRZMMEOU-DZGCQCFKSA-N 1 2 342.447 2.193 20 30 EEEDLO C=CCCC(=O)NCC[NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC001124636761 1372214449 /nfs/dbraw/zinc/21/44/49/1372214449.db2.gz XCHASWPBOPNWAG-UHFFFAOYSA-N 1 2 336.342 2.187 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001342341799 1372946809 /nfs/dbraw/zinc/94/68/09/1372946809.db2.gz OGPHLENIQZKKQI-IBGZPJMESA-N 1 2 345.491 2.457 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(C(C#N)(CC)CC)n2CC(C)C)CC1 ZINC001343711643 1372960325 /nfs/dbraw/zinc/96/03/25/1372960325.db2.gz VBVGDWXVOMBGHY-UHFFFAOYSA-N 1 2 342.491 2.271 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1sccc1-n1ccnn1 ZINC001372361148 1375961388 /nfs/dbraw/zinc/96/13/88/1375961388.db2.gz PVZAMRWUCFWFQC-UHFFFAOYSA-N 1 2 339.852 2.133 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1sccc1-n1ccnn1 ZINC001372361148 1375961389 /nfs/dbraw/zinc/96/13/89/1375961389.db2.gz PVZAMRWUCFWFQC-UHFFFAOYSA-N 1 2 339.852 2.133 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CCC)C(=O)COCC)C1 ZINC001373084032 1376397575 /nfs/dbraw/zinc/39/75/75/1376397575.db2.gz JPMZAABOCGOOJY-CYBMUJFWSA-N 1 2 333.270 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CCC)C(=O)COCC)C1 ZINC001373084032 1376397580 /nfs/dbraw/zinc/39/75/80/1376397580.db2.gz JPMZAABOCGOOJY-CYBMUJFWSA-N 1 2 333.270 2.244 20 30 EEEDLO C[C@@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1cc(-c2ccccc2)on1 ZINC001379030668 1380405621 /nfs/dbraw/zinc/40/56/21/1380405621.db2.gz DHZMBUGHBQGVMM-AWEZNQCLSA-N 1 2 326.400 2.391 20 30 EEEDLO C[C@@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1cc(-c2ccccc2)on1 ZINC001379030668 1380405622 /nfs/dbraw/zinc/40/56/22/1380405622.db2.gz DHZMBUGHBQGVMM-AWEZNQCLSA-N 1 2 326.400 2.391 20 30 EEEDLO C[C@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1cc(-c2ccccc2)on1 ZINC001379030710 1380405639 /nfs/dbraw/zinc/40/56/39/1380405639.db2.gz DHZMBUGHBQGVMM-CQSZACIVSA-N 1 2 326.400 2.391 20 30 EEEDLO C[C@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1cc(-c2ccccc2)on1 ZINC001379030710 1380405640 /nfs/dbraw/zinc/40/56/40/1380405640.db2.gz DHZMBUGHBQGVMM-CQSZACIVSA-N 1 2 326.400 2.391 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OC)nc2)C1 ZINC001752317156 1406274472 /nfs/dbraw/zinc/27/44/72/1406274472.db2.gz AGZVOJKJINDMAD-WBVHZDCISA-N 1 2 347.459 2.152 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(OC)nc2)C1 ZINC001752317156 1406274479 /nfs/dbraw/zinc/27/44/79/1406274479.db2.gz AGZVOJKJINDMAD-WBVHZDCISA-N 1 2 347.459 2.152 20 30 EEEDLO C#CCN1CC[NH+](CCNC(=O)c2ccccc2-c2ccccc2)CC1 ZINC001752375527 1406290581 /nfs/dbraw/zinc/29/05/81/1406290581.db2.gz PREKEYMESKFBKP-UHFFFAOYSA-N 1 2 347.462 2.334 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1cccc(NC(C)=O)c1 ZINC001392726390 1390177406 /nfs/dbraw/zinc/17/74/06/1390177406.db2.gz VSIAQENTFCMBAK-CYBMUJFWSA-N 1 2 337.851 2.377 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1cccc(NC(C)=O)c1 ZINC001392726390 1390177408 /nfs/dbraw/zinc/17/74/08/1390177408.db2.gz VSIAQENTFCMBAK-CYBMUJFWSA-N 1 2 337.851 2.377 20 30 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781377584 /nfs/dbraw/zinc/37/75/84/781377584.db2.gz OLGOWFOUWNFBHQ-UONOGXRCSA-N 1 2 325.334 2.432 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](n2cc(C[NH2+]C/C=C\Cl)nn2)C1 ZINC001098697968 781447759 /nfs/dbraw/zinc/44/77/59/781447759.db2.gz MXJUWSCAWKHXQS-BRLPQQTGSA-N 1 2 337.855 2.106 20 30 EEEDLO C=CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001112154698 781534558 /nfs/dbraw/zinc/53/45/58/781534558.db2.gz XQJRNLRUWDRBNL-CHWSQXEVSA-N 1 2 344.381 2.255 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079069962 790907468 /nfs/dbraw/zinc/90/74/68/790907468.db2.gz AFZPXMYSQRBHMA-LPHOPBHVSA-N 1 2 346.475 2.394 20 30 EEEDLO CC(C)c1noc(C[NH2+][C@H]2CCCCCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001088281650 783349377 /nfs/dbraw/zinc/34/93/77/783349377.db2.gz QSQKTHPKTCZEIT-KGLIPLIRSA-N 1 2 333.436 2.213 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001131946267 783509208 /nfs/dbraw/zinc/50/92/08/783509208.db2.gz IHTLKEGOZWXINY-HUUCEWRRSA-N 1 2 347.459 2.225 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2noc3c2CCCC3)C1 ZINC001131946267 783509215 /nfs/dbraw/zinc/50/92/15/783509215.db2.gz IHTLKEGOZWXINY-HUUCEWRRSA-N 1 2 347.459 2.225 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC1 ZINC001032243756 783635599 /nfs/dbraw/zinc/63/55/99/783635599.db2.gz BOLSSWOOYWLRJK-IRXDYDNUSA-N 1 2 325.412 2.152 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC1 ZINC001032243756 783635605 /nfs/dbraw/zinc/63/56/05/783635605.db2.gz BOLSSWOOYWLRJK-IRXDYDNUSA-N 1 2 325.412 2.152 20 30 EEEDLO C#CCOCCC(=O)N(C)C1CC(Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001127005971 783978260 /nfs/dbraw/zinc/97/82/60/783978260.db2.gz KBATVJCOMRSOTA-UHFFFAOYSA-N 1 2 342.443 2.104 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NC[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091502463 790992984 /nfs/dbraw/zinc/99/29/84/790992984.db2.gz NQUWUECZVQRJLP-CRWXNKLISA-N 1 2 342.447 2.128 20 30 EEEDLO N#Cc1ccc(C[NH2+]CCNC(=O)c2cccc3nc[nH]c32)s1 ZINC001135626490 784098032 /nfs/dbraw/zinc/09/80/32/784098032.db2.gz PSPPYWBAEWINJW-UHFFFAOYSA-N 1 2 325.397 2.016 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccnn2C2CCCC2)C1 ZINC001035386759 784426145 /nfs/dbraw/zinc/42/61/45/784426145.db2.gz QRGWWQJGWUYTTJ-MRXNPFEDSA-N 1 2 332.448 2.005 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccnn2C2CCCC2)C1 ZINC001035386759 784426150 /nfs/dbraw/zinc/42/61/50/784426150.db2.gz QRGWWQJGWUYTTJ-MRXNPFEDSA-N 1 2 332.448 2.005 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2scc(C)c2Cl)C1 ZINC001035380416 784459096 /nfs/dbraw/zinc/45/90/96/784459096.db2.gz BLZABOFGPGQFAG-LBPRGKRZSA-N 1 2 326.849 2.164 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2scc(C)c2Cl)C1 ZINC001035380416 784459121 /nfs/dbraw/zinc/45/91/21/784459121.db2.gz BLZABOFGPGQFAG-LBPRGKRZSA-N 1 2 326.849 2.164 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(OC)c(OC)c2C)C1 ZINC001035412374 784486619 /nfs/dbraw/zinc/48/66/19/784486619.db2.gz RPGRNXSEAQEBEI-OAHLLOKOSA-N 1 2 348.443 2.019 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(OC)c(OC)c2C)C1 ZINC001035412374 784486625 /nfs/dbraw/zinc/48/66/25/784486625.db2.gz RPGRNXSEAQEBEI-OAHLLOKOSA-N 1 2 348.443 2.019 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3cccc(OC)c3o2)C1 ZINC001035487920 784573159 /nfs/dbraw/zinc/57/31/59/784573159.db2.gz ORHJXLJXEZTERV-HNNXBMFYSA-N 1 2 344.411 2.448 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc3cccc(OC)c3o2)C1 ZINC001035487920 784573167 /nfs/dbraw/zinc/57/31/67/784573167.db2.gz ORHJXLJXEZTERV-HNNXBMFYSA-N 1 2 344.411 2.448 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001035466978 784591210 /nfs/dbraw/zinc/59/12/10/784591210.db2.gz OTGKLQYOCAHKFR-INIZCTEOSA-N 1 2 327.428 2.483 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001035466978 784591216 /nfs/dbraw/zinc/59/12/16/784591216.db2.gz OTGKLQYOCAHKFR-INIZCTEOSA-N 1 2 327.428 2.483 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001035545215 784653270 /nfs/dbraw/zinc/65/32/70/784653270.db2.gz IBMYBZUJLOZEFZ-PBHICJAKSA-N 1 2 330.428 2.017 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001035545215 784653272 /nfs/dbraw/zinc/65/32/72/784653272.db2.gz IBMYBZUJLOZEFZ-PBHICJAKSA-N 1 2 330.428 2.017 20 30 EEEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)cc1 ZINC000817299353 784664757 /nfs/dbraw/zinc/66/47/57/784664757.db2.gz YMXJUEDYWJPJBE-RBUKOAKNSA-N 1 2 341.455 2.362 20 30 EEEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)cc1 ZINC000817299353 784664763 /nfs/dbraw/zinc/66/47/63/784664763.db2.gz YMXJUEDYWJPJBE-RBUKOAKNSA-N 1 2 341.455 2.362 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(F)c(F)cc2Cl)C1 ZINC001035602187 784761220 /nfs/dbraw/zinc/76/12/20/784761220.db2.gz YNPGFZSYEKOGFH-LLVKDONJSA-N 1 2 342.773 2.072 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc(F)c(F)cc2Cl)C1 ZINC001035602187 784761227 /nfs/dbraw/zinc/76/12/27/784761227.db2.gz YNPGFZSYEKOGFH-LLVKDONJSA-N 1 2 342.773 2.072 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2sc(CCC)nc2C)C1 ZINC001035605339 784768197 /nfs/dbraw/zinc/76/81/97/784768197.db2.gz ZHBKKOOOVXXNAD-CQSZACIVSA-N 1 2 337.489 2.411 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2sc(CCC)nc2C)C1 ZINC001035605339 784768204 /nfs/dbraw/zinc/76/82/04/784768204.db2.gz ZHBKKOOOVXXNAD-CQSZACIVSA-N 1 2 337.489 2.411 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(F)(F)C(F)F)cn1 ZINC001135961203 784902019 /nfs/dbraw/zinc/90/20/19/784902019.db2.gz NIHZYYXVRDCKQQ-GHMZBOCLSA-N 1 2 345.340 2.450 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1c(Cl)cnn1C)CC2 ZINC001035709972 784993358 /nfs/dbraw/zinc/99/33/58/784993358.db2.gz SFTJLGBCIDBARG-UHFFFAOYSA-N 1 2 343.258 2.364 20 30 EEEDLO Cc1nc(N2C[C@@H](c3ccccc3)[C@H](NC(=O)C#CC3CC3)C2)cc[nH+]1 ZINC001091527514 791075054 /nfs/dbraw/zinc/07/50/54/791075054.db2.gz BWFSZVNFMJEBCJ-RBUKOAKNSA-N 1 2 346.434 2.287 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cn(C(C)C)nn1)CC2 ZINC001035825116 785187124 /nfs/dbraw/zinc/18/71/24/785187124.db2.gz WTZGJTAUILNIAC-UHFFFAOYSA-N 1 2 337.855 2.150 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000946002275 785280291 /nfs/dbraw/zinc/28/02/91/785280291.db2.gz RFHBAPPFDNNCOH-CABCVRRESA-N 1 2 344.459 2.004 20 30 EEEDLO C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001170909037 785285261 /nfs/dbraw/zinc/28/52/61/785285261.db2.gz SAVYKCRUGCXRBO-RYUDHWBXSA-N 1 2 328.350 2.354 20 30 EEEDLO C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001170909037 785285266 /nfs/dbraw/zinc/28/52/66/785285266.db2.gz SAVYKCRUGCXRBO-RYUDHWBXSA-N 1 2 328.350 2.354 20 30 EEEDLO C#CCC1(C(=O)N(C)C2CC(Nc3cc[nH+]c(C)n3)C2)CCOCC1 ZINC001127021361 785475718 /nfs/dbraw/zinc/47/57/18/785475718.db2.gz UEBQQIZSEZSQRT-UHFFFAOYSA-N 1 2 342.443 2.006 20 30 EEEDLO C[C@H]([NH2+][C@@H]1CN(C(=O)C#CC2CC2)CC1(C)C)c1nc(C2CC2)no1 ZINC000995796242 785684800 /nfs/dbraw/zinc/68/48/00/785684800.db2.gz YKPBZKHTTVNCPL-SWLSCSKDSA-N 1 2 342.443 2.248 20 30 EEEDLO CC(C)c1noc([C@H](C)[NH2+][C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)n1 ZINC000995791329 785718338 /nfs/dbraw/zinc/71/83/38/785718338.db2.gz KUITWSGYFRFNJT-DZGCQCFKSA-N 1 2 344.459 2.494 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)CCCNc1ncnc2c1C[N@H+](C)CC2 ZINC001109582836 805713738 /nfs/dbraw/zinc/71/37/38/805713738.db2.gz PGNJOEWPKCLMFM-OAHLLOKOSA-N 1 2 345.491 2.327 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)CCCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001109582836 805713743 /nfs/dbraw/zinc/71/37/43/805713743.db2.gz PGNJOEWPKCLMFM-OAHLLOKOSA-N 1 2 345.491 2.327 20 30 EEEDLO C#CC[N@@H+](C)CCCNc1c(C(=O)[O-])c[nH+]c2c(OC)cccc12 ZINC000910354806 786711234 /nfs/dbraw/zinc/71/12/34/786711234.db2.gz CYIKUHPQEFMXBQ-UHFFFAOYSA-N 1 2 327.384 2.309 20 30 EEEDLO C#CC[N@H+](C)CCCNc1c(C(=O)[O-])c[nH+]c2c(OC)cccc12 ZINC000910354806 786711237 /nfs/dbraw/zinc/71/12/37/786711237.db2.gz CYIKUHPQEFMXBQ-UHFFFAOYSA-N 1 2 327.384 2.309 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)[C@H](O)C1 ZINC001090535462 786778196 /nfs/dbraw/zinc/77/81/96/786778196.db2.gz UFGAFDUXCVVDLX-HZPDHXFCSA-N 1 2 333.819 2.085 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)[C@H](O)C1 ZINC001090535462 786778200 /nfs/dbraw/zinc/77/82/00/786778200.db2.gz UFGAFDUXCVVDLX-HZPDHXFCSA-N 1 2 333.819 2.085 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(Cl)nc3)C[C@@H]2O)C1 ZINC001090552811 786873583 /nfs/dbraw/zinc/87/35/83/786873583.db2.gz GFTNOCKUOPZZMB-CABCVRRESA-N 1 2 349.862 2.143 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(Cl)nc3)C[C@@H]2O)C1 ZINC001090552811 786873591 /nfs/dbraw/zinc/87/35/91/786873591.db2.gz GFTNOCKUOPZZMB-CABCVRRESA-N 1 2 349.862 2.143 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3ccncc3Cl)C[C@H]2O)C1 ZINC001090554228 786892870 /nfs/dbraw/zinc/89/28/70/786892870.db2.gz VVISBXLXABFXMN-HZPDHXFCSA-N 1 2 349.862 2.143 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ccncc3Cl)C[C@H]2O)C1 ZINC001090554228 786892878 /nfs/dbraw/zinc/89/28/78/786892878.db2.gz VVISBXLXABFXMN-HZPDHXFCSA-N 1 2 349.862 2.143 20 30 EEEDLO C=CC(C)(C)CC(=O)NC/C=C/CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107361553 786993702 /nfs/dbraw/zinc/99/37/02/786993702.db2.gz MKHDCPSAVYARRO-VOTSOKGWSA-N 1 2 343.475 2.151 20 30 EEEDLO C=CC(C)(C)CC(=O)NC/C=C/CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107361553 786993708 /nfs/dbraw/zinc/99/37/08/786993708.db2.gz MKHDCPSAVYARRO-VOTSOKGWSA-N 1 2 343.475 2.151 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2Cl)[C@H](O)C1 ZINC001090588031 787097343 /nfs/dbraw/zinc/09/73/43/787097343.db2.gz AQEBZWFDIHTMEC-UONOGXRCSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(F)ccc2Cl)[C@H](O)C1 ZINC001090588031 787097353 /nfs/dbraw/zinc/09/73/53/787097353.db2.gz AQEBZWFDIHTMEC-UONOGXRCSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc(OCC)c2)[C@@H](O)C1 ZINC001090601241 787208620 /nfs/dbraw/zinc/20/86/20/787208620.db2.gz PIKQVUFHATUGAE-CVEARBPZSA-N 1 2 338.835 2.003 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(OCC)c2)[C@@H](O)C1 ZINC001090601241 787208624 /nfs/dbraw/zinc/20/86/24/787208624.db2.gz PIKQVUFHATUGAE-CVEARBPZSA-N 1 2 338.835 2.003 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C12CCC2 ZINC001090609678 787285222 /nfs/dbraw/zinc/28/52/22/787285222.db2.gz SHYWCJXBGGRFEM-GJZGRUSLSA-N 1 2 330.432 2.217 20 30 EEEDLO C#CCCCCC(=O)N1CCCC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001062136756 787449164 /nfs/dbraw/zinc/44/91/64/787449164.db2.gz ABOULBNZPBPRRY-MRXNPFEDSA-N 1 2 344.459 2.033 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H](CN(C)c3cc[nH+]c(C)n3)C2)cc1 ZINC001062158037 787501635 /nfs/dbraw/zinc/50/16/35/787501635.db2.gz BVBBSKKRQVYJSH-KRWDZBQOSA-N 1 2 334.423 2.365 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001062173499 787538590 /nfs/dbraw/zinc/53/85/90/787538590.db2.gz HKBVRMSGZKPTLF-BEFAXECRSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCC ZINC001109633222 805802547 /nfs/dbraw/zinc/80/25/47/805802547.db2.gz SWLAEIBSOZYMQO-YVSFHVDLSA-N 1 2 335.492 2.227 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCC ZINC001109633222 805802558 /nfs/dbraw/zinc/80/25/58/805802558.db2.gz SWLAEIBSOZYMQO-YVSFHVDLSA-N 1 2 335.492 2.227 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001079014463 788129502 /nfs/dbraw/zinc/12/95/02/788129502.db2.gz IMAIRWUXNKLWJF-MRXNPFEDSA-N 1 2 346.475 2.456 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(CC)[nH+]c(C)n2)cc1 ZINC001062553573 788216171 /nfs/dbraw/zinc/21/61/71/788216171.db2.gz GFXCCSDUPHYOLV-OALUTQOASA-N 1 2 346.434 2.432 20 30 EEEDLO C=CCCC(=O)N1CC[C@H](CNc2[nH+]cnc3c2cnn3C)[C@H](C)C1 ZINC001090264009 788527214 /nfs/dbraw/zinc/52/72/14/788527214.db2.gz WUZAAPLNYLOFLI-ZIAGYGMSSA-N 1 2 342.447 2.226 20 30 EEEDLO C=CCOCC(=O)NC[C@@]1(C)C[N@H+](C/C=C\c2ccccc2)CCO1 ZINC001107811708 788531856 /nfs/dbraw/zinc/53/18/56/788531856.db2.gz QHRACTCJPBNKDF-SONCPKABSA-N 1 2 344.455 2.110 20 30 EEEDLO C=CCOCC(=O)NC[C@@]1(C)C[N@@H+](C/C=C\c2ccccc2)CCO1 ZINC001107811708 788531864 /nfs/dbraw/zinc/53/18/64/788531864.db2.gz QHRACTCJPBNKDF-SONCPKABSA-N 1 2 344.455 2.110 20 30 EEEDLO C[C@H](C#N)C(=O)NC[C@]1(C)C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC001107819393 788565099 /nfs/dbraw/zinc/56/50/99/788565099.db2.gz OTHAWUWXFKJNRL-CSZITXDSSA-N 1 2 327.428 2.067 20 30 EEEDLO C[C@H](C#N)C(=O)NC[C@]1(C)C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC001107819393 788565107 /nfs/dbraw/zinc/56/51/07/788565107.db2.gz OTHAWUWXFKJNRL-CSZITXDSSA-N 1 2 327.428 2.067 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3ccccc3n2C)C1 ZINC001108168124 788611386 /nfs/dbraw/zinc/61/13/86/788611386.db2.gz VYLWFAYRTWDFLK-HXUWFJFHSA-N 1 2 339.439 2.022 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3ccccc3n2C)C1 ZINC001108168124 788611396 /nfs/dbraw/zinc/61/13/96/788611396.db2.gz VYLWFAYRTWDFLK-HXUWFJFHSA-N 1 2 339.439 2.022 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060787221 788630913 /nfs/dbraw/zinc/63/09/13/788630913.db2.gz FCIHCSHCKFYRDD-BZUAXINKSA-N 1 2 346.475 2.346 20 30 EEEDLO Cn1cc([C@H]2CN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC[NH2+]2)cn1 ZINC000913459870 788892024 /nfs/dbraw/zinc/89/20/24/788892024.db2.gz BRJIIJRCBZKRNJ-QGZVFWFLSA-N 1 2 337.427 2.008 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3(COC)CCCC3)CC2)C1 ZINC001105713697 789139737 /nfs/dbraw/zinc/13/97/37/789139737.db2.gz PZTBZZBHWQUENI-UHFFFAOYSA-N 1 2 336.476 2.071 20 30 EEEDLO C#CCCCC(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(C)nc2C)CCO1 ZINC001107901016 789189801 /nfs/dbraw/zinc/18/98/01/789189801.db2.gz HTUYWJFFISKBLL-FQEVSTJZSA-N 1 2 343.471 2.209 20 30 EEEDLO C#CCCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C)nc2C)CCO1 ZINC001107901016 789189806 /nfs/dbraw/zinc/18/98/06/789189806.db2.gz HTUYWJFFISKBLL-FQEVSTJZSA-N 1 2 343.471 2.209 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001060263492 789211633 /nfs/dbraw/zinc/21/16/33/789211633.db2.gz UBZWZMLAQHPHNB-HOTGVXAUSA-N 1 2 346.475 2.299 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001060263492 789211639 /nfs/dbraw/zinc/21/16/39/789211639.db2.gz UBZWZMLAQHPHNB-HOTGVXAUSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cncc(C)c1 ZINC001032410287 789250747 /nfs/dbraw/zinc/25/07/47/789250747.db2.gz UZYNBWMDSXBUCL-OKYOBFRVSA-N 1 2 341.455 2.156 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cncc(C)c1 ZINC001032410287 789250754 /nfs/dbraw/zinc/25/07/54/789250754.db2.gz UZYNBWMDSXBUCL-OKYOBFRVSA-N 1 2 341.455 2.156 20 30 EEEDLO C=C1CCC(C(=O)N[C@H](C)C2CC[NH+](Cc3cnn(C)n3)CC2)CC1 ZINC000997288737 789569998 /nfs/dbraw/zinc/56/99/98/789569998.db2.gz DQEWMSFNPCXKHR-OAHLLOKOSA-N 1 2 345.491 2.278 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)C(=O)c2cccc(F)c2)C1 ZINC000923575419 789801662 /nfs/dbraw/zinc/80/16/62/789801662.db2.gz YSTPMZSUSGGXBR-PBHICJAKSA-N 1 2 330.403 2.248 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)C(=O)c2cccc(F)c2)C1 ZINC000923575419 789801670 /nfs/dbraw/zinc/80/16/70/789801670.db2.gz YSTPMZSUSGGXBR-PBHICJAKSA-N 1 2 330.403 2.248 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079045537 790007033 /nfs/dbraw/zinc/00/70/33/790007033.db2.gz HNGKPDLVJADHBH-JKSUJKDBSA-N 1 2 346.475 2.394 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1COCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC001111674327 806058550 /nfs/dbraw/zinc/05/85/50/806058550.db2.gz YLRNXEGDBFZISV-OAHLLOKOSA-N 1 2 332.448 2.196 20 30 EEEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[C@H]2C)cc1C#N ZINC001032564203 791423723 /nfs/dbraw/zinc/42/37/23/791423723.db2.gz DIISIYXJYLUMSH-ISWURRPUSA-N 1 2 325.412 2.008 20 30 EEEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[C@H]2C)cc1C#N ZINC001032564203 791423729 /nfs/dbraw/zinc/42/37/29/791423729.db2.gz DIISIYXJYLUMSH-ISWURRPUSA-N 1 2 325.412 2.008 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2Br)[C@H]1C ZINC001088926640 791579918 /nfs/dbraw/zinc/57/99/18/791579918.db2.gz JPIUKZSEAKVWCP-SCZZXKLOSA-N 1 2 347.644 2.117 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2Br)[C@H]1C ZINC001088926640 791579929 /nfs/dbraw/zinc/57/99/29/791579929.db2.gz JPIUKZSEAKVWCP-SCZZXKLOSA-N 1 2 347.644 2.117 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCc2nc(C(C)C)no2)cc1OC ZINC000172412756 791661145 /nfs/dbraw/zinc/66/11/45/791661145.db2.gz NHQAWAQGXINZGL-UHFFFAOYSA-N 1 2 334.376 2.242 20 30 EEEDLO C=CCOCC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C(C)C)o1)C2 ZINC001147256505 791756615 /nfs/dbraw/zinc/75/66/15/791756615.db2.gz WNUNTKDHKAVQIQ-UHFFFAOYSA-N 1 2 333.432 2.035 20 30 EEEDLO C=CCOCC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C(C)C)o1)C2 ZINC001147256505 791756619 /nfs/dbraw/zinc/75/66/19/791756619.db2.gz WNUNTKDHKAVQIQ-UHFFFAOYSA-N 1 2 333.432 2.035 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC2(C1)CC[N@@H+](Cc1csc(CC)n1)C2 ZINC001147422431 791827722 /nfs/dbraw/zinc/82/77/22/791827722.db2.gz MEKLPOIAUBTCIR-QGZVFWFLSA-N 1 2 349.500 2.067 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC2(C1)CC[N@H+](Cc1csc(CC)n1)C2 ZINC001147422431 791827727 /nfs/dbraw/zinc/82/77/27/791827727.db2.gz MEKLPOIAUBTCIR-QGZVFWFLSA-N 1 2 349.500 2.067 20 30 EEEDLO C#CCCCC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nc(C3CC3)no1)C2 ZINC001147462173 791829484 /nfs/dbraw/zinc/82/94/84/791829484.db2.gz RWDIJOFHNQXIGY-AWEZNQCLSA-N 1 2 342.443 2.346 20 30 EEEDLO C#CCCCC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nc(C3CC3)no1)C2 ZINC001147462173 791829487 /nfs/dbraw/zinc/82/94/87/791829487.db2.gz RWDIJOFHNQXIGY-AWEZNQCLSA-N 1 2 342.443 2.346 20 30 EEEDLO COc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)cc1 ZINC000063458072 791860387 /nfs/dbraw/zinc/86/03/87/791860387.db2.gz HSBJDICJNBSTIZ-UHFFFAOYSA-N 1 2 331.347 2.418 20 30 EEEDLO CC(C)C#CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nc(C(C)C)no1)C2 ZINC001147523544 791867765 /nfs/dbraw/zinc/86/77/65/791867765.db2.gz WBSPEDHUYSTOKH-OAHLLOKOSA-N 1 2 344.459 2.448 20 30 EEEDLO CC(C)C#CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nc(C(C)C)no1)C2 ZINC001147523544 791867771 /nfs/dbraw/zinc/86/77/71/791867771.db2.gz WBSPEDHUYSTOKH-OAHLLOKOSA-N 1 2 344.459 2.448 20 30 EEEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(C)n1CCC)C2 ZINC001147639844 791894757 /nfs/dbraw/zinc/89/47/57/791894757.db2.gz DCVNMECMBRCQNK-UHFFFAOYSA-N 1 2 345.491 2.387 20 30 EEEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1nnc(C)n1CCC)C2 ZINC001147639844 791894769 /nfs/dbraw/zinc/89/47/69/791894769.db2.gz DCVNMECMBRCQNK-UHFFFAOYSA-N 1 2 345.491 2.387 20 30 EEEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1ncnn1C(C)(C)C)C2 ZINC001147640356 791895211 /nfs/dbraw/zinc/89/52/11/791895211.db2.gz WVGRZQOLRVJGMM-UHFFFAOYSA-N 1 2 345.491 2.424 20 30 EEEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1ncnn1C(C)(C)C)C2 ZINC001147640356 791895213 /nfs/dbraw/zinc/89/52/13/791895213.db2.gz WVGRZQOLRVJGMM-UHFFFAOYSA-N 1 2 345.491 2.424 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCc3ccccc32)[C@H]1C ZINC001089047665 791984391 /nfs/dbraw/zinc/98/43/91/791984391.db2.gz VHSJVCYHXJQRMG-ZBFHGGJFSA-N 1 2 333.863 2.381 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCc3ccccc32)[C@H]1C ZINC001089047665 791984397 /nfs/dbraw/zinc/98/43/97/791984397.db2.gz VHSJVCYHXJQRMG-ZBFHGGJFSA-N 1 2 333.863 2.381 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cocn2)CC2(CCOCC2)C1 ZINC001089926589 792006728 /nfs/dbraw/zinc/00/67/28/792006728.db2.gz KTPFLGLWYWQGKW-CYBMUJFWSA-N 1 2 339.823 2.028 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cocn2)CC2(CCOCC2)C1 ZINC001089926589 792006741 /nfs/dbraw/zinc/00/67/41/792006741.db2.gz KTPFLGLWYWQGKW-CYBMUJFWSA-N 1 2 339.823 2.028 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nccc(C)n1)C2 ZINC001148138345 792184676 /nfs/dbraw/zinc/18/46/76/792184676.db2.gz SSYZNCWGPBPNMZ-ZBFHGGJFSA-N 1 2 328.460 2.278 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nccc(C)n1)C2 ZINC001148138345 792184681 /nfs/dbraw/zinc/18/46/81/792184681.db2.gz SSYZNCWGPBPNMZ-ZBFHGGJFSA-N 1 2 328.460 2.278 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[C@H]2CNc2cc[nH+]c(C)n2)nc1 ZINC001064103334 792404708 /nfs/dbraw/zinc/40/47/08/792404708.db2.gz QBSKSFHTVDFNSM-HOTGVXAUSA-N 1 2 335.411 2.172 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(F)cc2)c1 ZINC001032617798 792415996 /nfs/dbraw/zinc/41/59/96/792415996.db2.gz TXOOOOSGOLGVTF-OALUTQOASA-N 1 2 335.382 2.301 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001032617798 792416003 /nfs/dbraw/zinc/41/60/03/792416003.db2.gz TXOOOOSGOLGVTF-OALUTQOASA-N 1 2 335.382 2.301 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCC1(NC(=O)CCn2cc[nH+]c2)CCC1 ZINC001064109553 792426440 /nfs/dbraw/zinc/42/64/40/792426440.db2.gz MDBLCOPJHNPIJQ-HNNXBMFYSA-N 1 2 332.448 2.031 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccc(NC(=O)CC)c2)C1 ZINC001107982657 792426799 /nfs/dbraw/zinc/42/67/99/792426799.db2.gz CBNFVEVMDSALSV-LJQANCHMSA-N 1 2 345.443 2.042 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccc(NC(=O)CC)c2)C1 ZINC001107982657 792426802 /nfs/dbraw/zinc/42/68/02/792426802.db2.gz CBNFVEVMDSALSV-LJQANCHMSA-N 1 2 345.443 2.042 20 30 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C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(OC)nn3)C[C@H]21 ZINC001084574159 798280368 /nfs/dbraw/zinc/28/03/68/798280368.db2.gz SYESRBYLIDXYML-GDBMZVCRSA-N 1 2 344.459 2.120 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(OC)nn3)C[C@H]21 ZINC001084574159 798280371 /nfs/dbraw/zinc/28/03/71/798280371.db2.gz SYESRBYLIDXYML-GDBMZVCRSA-N 1 2 344.459 2.120 20 30 EEEDLO Cc1nsc(N[C@@H]2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1C#N ZINC001061107440 798292729 /nfs/dbraw/zinc/29/27/29/798292729.db2.gz LDIYQGIXOSGJSU-NWDGAFQWSA-N 1 2 344.444 2.128 20 30 EEEDLO CCn1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)n1 ZINC001084701984 798391113 /nfs/dbraw/zinc/39/11/13/798391113.db2.gz BBQJEQFDPNPROO-IEBWSBKVSA-N 1 2 349.438 2.121 20 30 EEEDLO CCn1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)n1 ZINC001084701984 798391120 /nfs/dbraw/zinc/39/11/20/798391120.db2.gz BBQJEQFDPNPROO-IEBWSBKVSA-N 1 2 349.438 2.121 20 30 EEEDLO C=C1CC(C)(C(=O)N(CCO)CCNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001111558599 798426690 /nfs/dbraw/zinc/42/66/90/798426690.db2.gz TVRSMOYDHSMYLF-UHFFFAOYSA-N 1 2 346.475 2.498 20 30 EEEDLO C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3scnc3C)C[C@H]21 ZINC001176922946 798628351 /nfs/dbraw/zinc/62/83/51/798628351.db2.gz FBDMBOVHQAVVCK-HUUCEWRRSA-N 1 2 335.473 2.333 20 30 EEEDLO C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3scnc3C)C[C@H]21 ZINC001176922946 798628354 /nfs/dbraw/zinc/62/83/54/798628354.db2.gz FBDMBOVHQAVVCK-HUUCEWRRSA-N 1 2 335.473 2.333 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@@H+](CCOCCC(C)C)[C@H]2C1 ZINC001176955522 798656078 /nfs/dbraw/zinc/65/60/78/798656078.db2.gz UYZWRAAVZXQLGP-ZWKOTPCHSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]2OCC[N@H+](CCOCCC(C)C)[C@H]2C1 ZINC001176955522 798656080 /nfs/dbraw/zinc/65/60/80/798656080.db2.gz UYZWRAAVZXQLGP-ZWKOTPCHSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCOCCCC)[C@H]2C1 ZINC001177086845 798741185 /nfs/dbraw/zinc/74/11/85/798741185.db2.gz ATOHKAXGDIERCK-ROUUACIJSA-N 1 2 338.492 2.461 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]2OCC[N@H+](CCOCCCC)[C@H]2C1 ZINC001177086845 798741186 /nfs/dbraw/zinc/74/11/86/798741186.db2.gz ATOHKAXGDIERCK-ROUUACIJSA-N 1 2 338.492 2.461 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](CC)O2)CC1 ZINC001002939168 798848454 /nfs/dbraw/zinc/84/84/54/798848454.db2.gz YPKLVODSIIOTTJ-KBPBESRZSA-N 1 2 345.281 2.433 20 30 EEEDLO CC(C)C#CC(=O)NCc1cnn2c1C[N@H+](CC1=CCCCC1)CC2 ZINC001128347178 798992729 /nfs/dbraw/zinc/99/27/29/798992729.db2.gz OLBAUMYKNWBOSE-UHFFFAOYSA-N 1 2 340.471 2.475 20 30 EEEDLO CC(C)C#CC(=O)NCc1cnn2c1C[N@@H+](CC1=CCCCC1)CC2 ZINC001128347178 798992733 /nfs/dbraw/zinc/99/27/33/798992733.db2.gz OLBAUMYKNWBOSE-UHFFFAOYSA-N 1 2 340.471 2.475 20 30 EEEDLO C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)/C(C)=C/C)C1 ZINC001177520356 799001782 /nfs/dbraw/zinc/00/17/82/799001782.db2.gz KFGGTDWSBBQYKR-YAXRCOADSA-N 1 2 326.440 2.051 20 30 EEEDLO N#CC1(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)Cc2ccccc2C1 ZINC001177628966 799058314 /nfs/dbraw/zinc/05/83/14/799058314.db2.gz MOQXQYSDPATQKN-GOSISDBHSA-N 1 2 335.407 2.421 20 30 EEEDLO N#CC1(NC(=O)[C@H]2CCC[N@H+]2Cc2ccco2)Cc2ccccc2C1 ZINC001177628966 799058321 /nfs/dbraw/zinc/05/83/21/799058321.db2.gz MOQXQYSDPATQKN-GOSISDBHSA-N 1 2 335.407 2.421 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC001065703936 799350450 /nfs/dbraw/zinc/35/04/50/799350450.db2.gz HIPWPCWQSJFAPD-BOVGMKJQSA-N 1 2 347.503 2.300 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC3(C)CC3)CC2)C1 ZINC001065706815 799356579 /nfs/dbraw/zinc/35/65/79/799356579.db2.gz NOSQNCPVWVSPIQ-QGZVFWFLSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CC=CCC3)CC2)C1 ZINC001065691998 799368043 /nfs/dbraw/zinc/36/80/43/799368043.db2.gz NYGMIYBDWVISEE-MSOLQXFVSA-N 1 2 345.487 2.054 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C(C)=C/C)C2)CC1 ZINC001065698021 799381555 /nfs/dbraw/zinc/38/15/55/799381555.db2.gz FKUZJVSLSPFGIF-DYFCPDHGSA-N 1 2 347.503 2.300 20 30 EEEDLO C[C@H](Nc1cccc(F)c1C#N)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001065723271 799398924 /nfs/dbraw/zinc/39/89/24/799398924.db2.gz MNZVIPUSKPZGGZ-UONOGXRCSA-N 1 2 341.390 2.243 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)C3(CCC)CC3)C2)CC1 ZINC001065713341 799413426 /nfs/dbraw/zinc/41/34/26/799413426.db2.gz QFUCGVGSECADEY-KRWDZBQOSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CCOCC[NH2+]CCCCCCNC(=O)C(F)C(F)(F)F ZINC001178536005 799513277 /nfs/dbraw/zinc/51/32/77/799513277.db2.gz NHSWOHFBLMNCMV-GFCCVEGCSA-N 1 2 328.350 2.356 20 30 EEEDLO C=CCOCC[NH2+]CCCCCCNC(=O)[C@@H](F)C(F)(F)F ZINC001178536005 799513282 /nfs/dbraw/zinc/51/32/82/799513282.db2.gz NHSWOHFBLMNCMV-GFCCVEGCSA-N 1 2 328.350 2.356 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(C3CC3)no2)[C@@H]1C ZINC001178587326 799523928 /nfs/dbraw/zinc/52/39/28/799523928.db2.gz HOWRCYPCJKLURX-YDHLFZDLSA-N 1 2 330.432 2.391 20 30 EEEDLO C[C@H]1[C@@H]([NH2+]Cc2nnc(C(C)(C)C)o2)CCN1C(=O)C#CC(C)(C)C ZINC001178675715 799573272 /nfs/dbraw/zinc/57/32/72/799573272.db2.gz ZJABTEQIPDALSD-KBPBESRZSA-N 1 2 346.475 2.496 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@]2(C)C[N@H+](Cc3ncccc3C)CCO2)C1 ZINC001108202113 799954289 /nfs/dbraw/zinc/95/42/89/799954289.db2.gz WQHMVGLHZJDYNM-HXUWFJFHSA-N 1 2 343.471 2.453 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@]2(C)C[N@@H+](Cc3ncccc3C)CCO2)C1 ZINC001108202113 799954294 /nfs/dbraw/zinc/95/42/94/799954294.db2.gz WQHMVGLHZJDYNM-HXUWFJFHSA-N 1 2 343.471 2.453 20 30 EEEDLO CN(C(=O)C(C)(F)F)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032857239 800145698 /nfs/dbraw/zinc/14/56/98/800145698.db2.gz SDYYGYAWZVHAEY-ZDUSSCGKSA-N 1 2 325.334 2.385 20 30 EEEDLO CN(C(=O)C(C)(F)F)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032857239 800145703 /nfs/dbraw/zinc/14/57/03/800145703.db2.gz SDYYGYAWZVHAEY-ZDUSSCGKSA-N 1 2 325.334 2.385 20 30 EEEDLO Cc1ncncc1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085498758 800640817 /nfs/dbraw/zinc/64/08/17/800640817.db2.gz LNUIJFJWGZJGDR-CYBMUJFWSA-N 1 2 341.440 2.065 20 30 EEEDLO Cc1ncncc1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085498758 800640820 /nfs/dbraw/zinc/64/08/20/800640820.db2.gz LNUIJFJWGZJGDR-CYBMUJFWSA-N 1 2 341.440 2.065 20 30 EEEDLO Cc1ncncc1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085498759 800640887 /nfs/dbraw/zinc/64/08/87/800640887.db2.gz LNUIJFJWGZJGDR-ZDUSSCGKSA-N 1 2 341.440 2.065 20 30 EEEDLO Cc1ncncc1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001085498759 800640892 /nfs/dbraw/zinc/64/08/92/800640892.db2.gz LNUIJFJWGZJGDR-ZDUSSCGKSA-N 1 2 341.440 2.065 20 30 EEEDLO CCc1ocnc1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001085522648 800697696 /nfs/dbraw/zinc/69/76/96/800697696.db2.gz RXTKMJDUXFKVIE-INIZCTEOSA-N 1 2 338.411 2.455 20 30 EEEDLO CCc1ocnc1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001085522648 800697701 /nfs/dbraw/zinc/69/77/01/800697701.db2.gz RXTKMJDUXFKVIE-INIZCTEOSA-N 1 2 338.411 2.455 20 30 EEEDLO Cc1cc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)ncn1 ZINC001085543474 800730222 /nfs/dbraw/zinc/73/02/22/800730222.db2.gz YCGDUTLUCBIHJQ-CYBMUJFWSA-N 1 2 341.440 2.065 20 30 EEEDLO Cc1cc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)ncn1 ZINC001085543474 800730227 /nfs/dbraw/zinc/73/02/27/800730227.db2.gz YCGDUTLUCBIHJQ-CYBMUJFWSA-N 1 2 341.440 2.065 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1CCCOCC1 ZINC001085571557 800801267 /nfs/dbraw/zinc/80/12/67/800801267.db2.gz GODGEJICBIXIHM-VQIMIIECSA-N 1 2 341.455 2.408 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)[C@@H]1CCCOCC1 ZINC001085571557 800801273 /nfs/dbraw/zinc/80/12/73/800801273.db2.gz GODGEJICBIXIHM-VQIMIIECSA-N 1 2 341.455 2.408 20 30 EEEDLO Cc1ccnc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)n1 ZINC001085574097 800820170 /nfs/dbraw/zinc/82/01/70/800820170.db2.gz NMWNPPOJTMHKIM-ZDUSSCGKSA-N 1 2 341.440 2.065 20 30 EEEDLO Cc1ccnc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)n1 ZINC001085574097 800820179 /nfs/dbraw/zinc/82/01/79/800820179.db2.gz NMWNPPOJTMHKIM-ZDUSSCGKSA-N 1 2 341.440 2.065 20 30 EEEDLO CN(C(=O)c1ccc(F)cn1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033028625 800958966 /nfs/dbraw/zinc/95/89/66/800958966.db2.gz GHACUFCSIXQPTJ-QGZVFWFLSA-N 1 2 338.386 2.439 20 30 EEEDLO CN(C(=O)c1ccc(F)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033028625 800958971 /nfs/dbraw/zinc/95/89/71/800958971.db2.gz GHACUFCSIXQPTJ-QGZVFWFLSA-N 1 2 338.386 2.439 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001033043922 801101964 /nfs/dbraw/zinc/10/19/64/801101964.db2.gz RONPQQVHFWXKDB-VWYCJHECSA-N 1 2 337.208 2.329 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001033043922 801101969 /nfs/dbraw/zinc/10/19/69/801101969.db2.gz RONPQQVHFWXKDB-VWYCJHECSA-N 1 2 337.208 2.329 20 30 EEEDLO CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110318502 801255565 /nfs/dbraw/zinc/25/55/65/801255565.db2.gz QQSRZSFXVNOYHE-XFHKCVFHSA-N 1 2 345.418 2.344 20 30 EEEDLO CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 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347.434 2.404 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@]1(C)CCCOC1 ZINC001496810306 1101511177 /nfs/dbraw/zinc/51/11/77/1101511177.db2.gz OXOWQVXMKUHNDG-LJQANCHMSA-N 1 2 347.434 2.404 20 30 EEEDLO CO[C@@H](C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1)c1ccccc1 ZINC001494625112 1104209223 /nfs/dbraw/zinc/20/92/23/1104209223.db2.gz FJNUJZHKICXLLG-HXUWFJFHSA-N 1 2 349.434 2.494 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(CNC(C)=O)cc1 ZINC001498332539 1107312514 /nfs/dbraw/zinc/31/25/14/1107312514.db2.gz QEZYMINJXSYPAI-CYBMUJFWSA-N 1 2 337.851 2.125 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(CNC(C)=O)cc1 ZINC001498332539 1107312529 /nfs/dbraw/zinc/31/25/29/1107312529.db2.gz QEZYMINJXSYPAI-CYBMUJFWSA-N 1 2 337.851 2.125 20 30 EEEDLO CC(F)(F)C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001500167092 1112651402 /nfs/dbraw/zinc/65/14/02/1112651402.db2.gz CXOGIITXFFTTBP-OAHLLOKOSA-N 1 2 325.334 2.433 20 30 EEEDLO CC(F)(F)C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001500167092 1112651404 /nfs/dbraw/zinc/65/14/04/1112651404.db2.gz CXOGIITXFFTTBP-OAHLLOKOSA-N 1 2 325.334 2.433 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](O)(CNC(=O)CCCC2CC2)C1 ZINC001500711303 1113038216 /nfs/dbraw/zinc/03/82/16/1113038216.db2.gz WFJAZAGVIRBJEP-HNNXBMFYSA-N 1 2 345.281 2.028 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](O)(CNC(=O)CCCC2CC2)C1 ZINC001500711303 1113038220 /nfs/dbraw/zinc/03/82/20/1113038220.db2.gz WFJAZAGVIRBJEP-HNNXBMFYSA-N 1 2 345.281 2.028 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@H](C)[C@@H]1CC ZINC001520360128 1119149890 /nfs/dbraw/zinc/14/98/90/1119149890.db2.gz BGNWLAZQIBZHKV-RDJZCZTQSA-N 1 2 347.507 2.293 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)C[C@H]1CCOC1 ZINC001524338554 1120065104 /nfs/dbraw/zinc/06/51/04/1120065104.db2.gz WLQNUGXTYDACKZ-CVEARBPZSA-N 1 2 333.480 2.484 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)C[C@H]1CCOC1 ZINC001524338554 1120065112 /nfs/dbraw/zinc/06/51/12/1120065112.db2.gz WLQNUGXTYDACKZ-CVEARBPZSA-N 1 2 333.480 2.484 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001567870334 1124150267 /nfs/dbraw/zinc/15/02/67/1124150267.db2.gz WSVCIFFNGOHHRS-ZFWWWQNUSA-N 1 2 337.851 2.407 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001567870334 1124150272 /nfs/dbraw/zinc/15/02/72/1124150272.db2.gz WSVCIFFNGOHHRS-ZFWWWQNUSA-N 1 2 337.851 2.407 20 30 EEEDLO CCCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000051060114 214076186 /nfs/dbraw/zinc/07/61/86/214076186.db2.gz SZZUAYCMNIDMJG-CQSZACIVSA-N 1 2 348.472 2.187 20 30 EEEDLO CCCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000051060114 214076188 /nfs/dbraw/zinc/07/61/88/214076188.db2.gz SZZUAYCMNIDMJG-CQSZACIVSA-N 1 2 348.472 2.187 20 30 EEEDLO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101729700 219160131 /nfs/dbraw/zinc/16/01/31/219160131.db2.gz SELLXAIIEUUVCC-OAHLLOKOSA-N 1 2 344.434 2.220 20 30 EEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000328774909 539761045 /nfs/dbraw/zinc/76/10/45/539761045.db2.gz SFIBPKPEADPEMJ-ZDUSSCGKSA-N 1 2 339.443 2.071 20 30 EEEDLO C#CCNC(=O)C1CC[NH+](Cc2[nH]c(CCCC)nc2Cl)CC1 ZINC000491546784 246068551 /nfs/dbraw/zinc/06/85/51/246068551.db2.gz XMVWKTJXJYTEHA-UHFFFAOYSA-N 1 2 336.867 2.367 20 30 EEEDLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H](CCC#N)c2ccccc2)CCO1 ZINC000495259646 247102873 /nfs/dbraw/zinc/10/28/73/247102873.db2.gz NIKFYAVIQDSJMN-MSOLQXFVSA-N 1 2 344.459 2.441 20 30 EEEDLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](CCC#N)c2ccccc2)CCO1 ZINC000495259646 247102881 /nfs/dbraw/zinc/10/28/81/247102881.db2.gz NIKFYAVIQDSJMN-MSOLQXFVSA-N 1 2 344.459 2.441 20 30 EEEDLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1nc(C(F)(F)F)ccc1C#N ZINC000265181915 247276271 /nfs/dbraw/zinc/27/62/71/247276271.db2.gz JFIZNSAEOATCTA-NSHDSACASA-N 1 2 327.354 2.020 20 30 EEEDLO COC(=O)c1cccc(C[N@H+](C)CCNC(=O)OC(C)(C)C)c1C#N ZINC000496189377 247370527 /nfs/dbraw/zinc/37/05/27/247370527.db2.gz MVVXXVOHFKFKHA-UHFFFAOYSA-N 1 2 347.415 2.301 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+](C)CCNC(=O)OC(C)(C)C)c1C#N ZINC000496189377 247370530 /nfs/dbraw/zinc/37/05/30/247370530.db2.gz MVVXXVOHFKFKHA-UHFFFAOYSA-N 1 2 347.415 2.301 20 30 EEEDLO COc1cc(C)[nH+]c(CN(C)S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000271174304 256215919 /nfs/dbraw/zinc/21/59/19/256215919.db2.gz ARUUBTCHMLCGKX-UHFFFAOYSA-N 1 2 331.397 2.091 20 30 EEEDLO CCOC(=O)c1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115598104 152033111 /nfs/dbraw/zinc/03/31/11/152033111.db2.gz AXVJHAQZIGCEMO-QGZVFWFLSA-N 1 2 337.379 2.051 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000377346099 154152098 /nfs/dbraw/zinc/15/20/98/154152098.db2.gz OIMLWGGACPKVHA-HOTGVXAUSA-N 1 2 344.411 2.016 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000377346099 154152102 /nfs/dbraw/zinc/15/21/02/154152102.db2.gz OIMLWGGACPKVHA-HOTGVXAUSA-N 1 2 344.411 2.016 20 30 EEEDLO CCCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554461 159252826 /nfs/dbraw/zinc/25/28/26/159252826.db2.gz VZXUOOGONYTALN-MRXNPFEDSA-N 1 2 328.460 2.375 20 30 EEEDLO Cc1cc[nH+]cc1N1CCN(C(=O)NCCc2cccc(C#N)c2)CC1 ZINC000342247856 161050632 /nfs/dbraw/zinc/05/06/32/161050632.db2.gz MKIFAQZDELJUIR-UHFFFAOYSA-N 1 2 349.438 2.336 20 30 EEEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ncnn1CC(F)F ZINC000344111175 161199370 /nfs/dbraw/zinc/19/93/70/161199370.db2.gz JLMWLBXEAADKNC-UHFFFAOYSA-N 1 2 335.358 2.063 20 30 EEEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ncnn1CC(F)F ZINC000344111175 161199371 /nfs/dbraw/zinc/19/93/71/161199371.db2.gz JLMWLBXEAADKNC-UHFFFAOYSA-N 1 2 335.358 2.063 20 30 EEEDLO CC[C@@H](C(=O)OC)[NH+]1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000352669890 162236018 /nfs/dbraw/zinc/23/60/18/162236018.db2.gz CLCJTIRIHOOEOA-INIZCTEOSA-N 1 2 335.835 2.281 20 30 EEEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccccn2)CC1)c1cccc(C#N)c1 ZINC000359851086 164184552 /nfs/dbraw/zinc/18/45/52/164184552.db2.gz WKYRVXQNCQJHEJ-INIZCTEOSA-N 1 2 334.423 2.401 20 30 EEEDLO N#Cc1ccc(Cl)c(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)c1 ZINC000375899967 167220927 /nfs/dbraw/zinc/22/09/27/167220927.db2.gz FPRKZGCOPHRTBD-INIZCTEOSA-N 1 2 326.787 2.393 20 30 EEEDLO Cn1cc(C#N)cc1C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000332236122 270018976 /nfs/dbraw/zinc/01/89/76/270018976.db2.gz OLLQUXNMNJFLRN-CYBMUJFWSA-N 1 2 325.416 2.136 20 30 EEEDLO N#Cc1ccc(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000455537959 268228297 /nfs/dbraw/zinc/22/82/97/268228297.db2.gz JHNMVHPCVXJWQY-MRXNPFEDSA-N 1 2 340.358 2.455 20 30 EEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCOC[C@H](C3CCC3)C2)C1=O ZINC000292042425 268303892 /nfs/dbraw/zinc/30/38/92/268303892.db2.gz AROPIZGPZAYTTB-CVEARBPZSA-N 1 2 345.468 2.474 20 30 EEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCOC[C@H](C3CCC3)C2)C1=O ZINC000292042425 268303895 /nfs/dbraw/zinc/30/38/95/268303895.db2.gz AROPIZGPZAYTTB-CVEARBPZSA-N 1 2 345.468 2.474 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](Cc2ccccn2)CC1 ZINC000280272178 269345878 /nfs/dbraw/zinc/34/58/78/269345878.db2.gz OYHPDPCDQNARBK-MRXNPFEDSA-N 1 2 349.438 2.098 20 30 EEEDLO Cc1nc(N2CCN(c3ccc(C#N)cn3)CC2)c2c([nH+]1)CCCC2 ZINC000180429841 282010196 /nfs/dbraw/zinc/01/01/96/282010196.db2.gz VLKLGBDRHUOTLF-UHFFFAOYSA-N 1 2 334.427 2.257 20 30 EEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(Cl)c(C#N)c1 ZINC000561202525 318831212 /nfs/dbraw/zinc/83/12/12/318831212.db2.gz FJEPWMBNDQUSPN-IUODEOHRSA-N 1 2 333.819 2.147 20 30 EEEDLO CN1C(=O)C[C@H]([NH2+]Cc2ncc(C#N)cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000563875697 319051205 /nfs/dbraw/zinc/05/12/05/319051205.db2.gz HCZNYBAVXODOQR-YOEHRIQHSA-N 1 2 341.802 2.063 20 30 EEEDLO Cc1cc(N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000575982961 320130835 /nfs/dbraw/zinc/13/08/35/320130835.db2.gz FGSSTVXSLDCVGN-CYBMUJFWSA-N 1 2 340.349 2.429 20 30 EEEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)c1 ZINC000576804049 320205023 /nfs/dbraw/zinc/20/50/23/320205023.db2.gz GTJMGSYYZHEOIE-OTWHNJEPSA-N 1 2 332.407 2.230 20 30 EEEDLO C[C@H]1CSC[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000347490104 465054058 /nfs/dbraw/zinc/05/40/58/465054058.db2.gz ZFQKLTCZDWZOGM-YOEHRIQHSA-N 1 2 344.484 2.137 20 30 EEEDLO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CCCC3=O)C2)sc1C ZINC000328875144 465153898 /nfs/dbraw/zinc/15/38/98/465153898.db2.gz JPRJHPMMMJCMNY-YPMHNXCESA-N 1 2 336.461 2.433 20 30 EEEDLO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](N3CCCC3=O)C2)sc1C ZINC000328875144 465153903 /nfs/dbraw/zinc/15/39/03/465153903.db2.gz JPRJHPMMMJCMNY-YPMHNXCESA-N 1 2 336.461 2.433 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCC1=O ZINC000328904708 465163928 /nfs/dbraw/zinc/16/39/28/465163928.db2.gz AICNWGDZQGQIJN-HIFRSBDPSA-N 1 2 331.416 2.380 20 30 EEEDLO O=C(NCCc1ccc2c(c1)OCCO2)[C@H]1CCn2c[nH+]cc2C1 ZINC000328947958 465178190 /nfs/dbraw/zinc/17/81/90/465178190.db2.gz VYUBTLZVXVSRQR-AWEZNQCLSA-N 1 2 327.384 2.416 20 30 EEEDLO C=C(C)CN(C)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000339342968 465215251 /nfs/dbraw/zinc/21/52/51/465215251.db2.gz ITNKUTYATMJZRI-MRXNPFEDSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(C)CN(C)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000339342968 465215252 /nfs/dbraw/zinc/21/52/52/465215252.db2.gz ITNKUTYATMJZRI-MRXNPFEDSA-N 1 2 332.448 2.052 20 30 EEEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000329108956 465236419 /nfs/dbraw/zinc/23/64/19/465236419.db2.gz FPQGRSGKIPAAFV-YFHUEUNASA-N 1 2 348.447 2.018 20 30 EEEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCO[C@]3(CCOC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000329108956 465236422 /nfs/dbraw/zinc/23/64/22/465236422.db2.gz FPQGRSGKIPAAFV-YFHUEUNASA-N 1 2 348.447 2.018 20 30 EEEDLO C=CC[C@@H](CO)CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000341702859 465255168 /nfs/dbraw/zinc/25/51/68/465255168.db2.gz LKQUAEUCYPCCBK-MRXNPFEDSA-N 1 2 332.448 2.056 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2c(F)cccc2F)C1=O ZINC000337229521 465255725 /nfs/dbraw/zinc/25/57/25/465255725.db2.gz RXVZXUIXTXMJPB-BXUZGUMPSA-N 1 2 337.370 2.011 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2c(F)cccc2F)C1=O ZINC000337229521 465255729 /nfs/dbraw/zinc/25/57/29/465255729.db2.gz RXVZXUIXTXMJPB-BXUZGUMPSA-N 1 2 337.370 2.011 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2SC)C1=O ZINC000337224117 465252639 /nfs/dbraw/zinc/25/26/39/465252639.db2.gz NFUKCNJSAGSGOF-DZGCQCFKSA-N 1 2 347.484 2.454 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccccc2SC)C1=O ZINC000337224117 465252647 /nfs/dbraw/zinc/25/26/47/465252647.db2.gz NFUKCNJSAGSGOF-DZGCQCFKSA-N 1 2 347.484 2.454 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000337232877 465258046 /nfs/dbraw/zinc/25/80/46/465258046.db2.gz VYCIUYPJLXPKAD-FZMZJTMJSA-N 1 2 341.814 2.110 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC000341982066 465281796 /nfs/dbraw/zinc/28/17/96/465281796.db2.gz CWRKEYMTVLKOLD-ZDUSSCGKSA-N 1 2 326.400 2.386 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000341991635 465282936 /nfs/dbraw/zinc/28/29/36/465282936.db2.gz OFRHFBBVXTZSGG-UHFFFAOYSA-N 1 2 335.835 2.208 20 30 EEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCOC[C@H]1CC(F)F ZINC000329263189 465283640 /nfs/dbraw/zinc/28/36/40/465283640.db2.gz DJQWHRJFDZWKKW-NWDGAFQWSA-N 1 2 328.363 2.031 20 30 EEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@H](C#N)CCc1ccccc1 ZINC000342291980 465309183 /nfs/dbraw/zinc/30/91/83/465309183.db2.gz RSRSSYLCWJDFQH-NZSAHSFTSA-N 1 2 341.455 2.081 20 30 EEEDLO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000153617047 462670607 /nfs/dbraw/zinc/67/06/07/462670607.db2.gz LNSWAVWROHUNAI-GOSISDBHSA-N 1 2 337.379 2.335 20 30 EEEDLO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000153617047 462670611 /nfs/dbraw/zinc/67/06/11/462670611.db2.gz LNSWAVWROHUNAI-GOSISDBHSA-N 1 2 337.379 2.335 20 30 EEEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)CSCC#N)C[C@H](C)O1 ZINC000046343293 462671167 /nfs/dbraw/zinc/67/11/67/462671167.db2.gz JHMZRRSNFQTYRG-KBPBESRZSA-N 1 2 333.457 2.491 20 30 EEEDLO C=CCNc1ncc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000130203534 462744460 /nfs/dbraw/zinc/74/44/60/462744460.db2.gz CMICRMORRPGKCL-ZDUSSCGKSA-N 1 2 330.413 2.430 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1ccccc1C#N ZINC000007674680 462745766 /nfs/dbraw/zinc/74/57/66/462745766.db2.gz BCBSPUGOVHOJHW-UHFFFAOYSA-N 1 2 340.408 2.195 20 30 EEEDLO C=CC[N@H+](CC(=O)N[C@H](C(C)=O)C(C)C)Cc1ccc(OC)cc1 ZINC000154391282 462763315 /nfs/dbraw/zinc/76/33/15/462763315.db2.gz ALFPPZRYLAFPPZ-IBGZPJMESA-N 1 2 332.444 2.413 20 30 EEEDLO C=CC[N@@H+](CC(=O)N[C@H](C(C)=O)C(C)C)Cc1ccc(OC)cc1 ZINC000154391282 462763316 /nfs/dbraw/zinc/76/33/16/462763316.db2.gz ALFPPZRYLAFPPZ-IBGZPJMESA-N 1 2 332.444 2.413 20 30 EEEDLO COCC[N@H+](CCC#N)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093099894 463008821 /nfs/dbraw/zinc/00/88/21/463008821.db2.gz YHYYWVXXCUOGKW-UHFFFAOYSA-N 1 2 343.387 2.357 20 30 EEEDLO COCC[N@@H+](CCC#N)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093099894 463008825 /nfs/dbraw/zinc/00/88/25/463008825.db2.gz YHYYWVXXCUOGKW-UHFFFAOYSA-N 1 2 343.387 2.357 20 30 EEEDLO C=C(C)COc1cccc(NC(=O)N(C)CC[NH+]2CCOCC2)c1 ZINC000067573690 463021897 /nfs/dbraw/zinc/02/18/97/463021897.db2.gz WQYGGHWCBDJALZ-UHFFFAOYSA-N 1 2 333.432 2.437 20 30 EEEDLO C=CC[N@@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)Cc1cccs1 ZINC000051262420 463028282 /nfs/dbraw/zinc/02/82/82/463028282.db2.gz LHBBWZWTRZFEAP-OAHLLOKOSA-N 1 2 349.500 2.253 20 30 EEEDLO C=CC[N@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)Cc1cccs1 ZINC000051262420 463028286 /nfs/dbraw/zinc/02/82/86/463028286.db2.gz LHBBWZWTRZFEAP-OAHLLOKOSA-N 1 2 349.500 2.253 20 30 EEEDLO OC[C@@H](O)C[N@@H+](CC#Cc1cccc(Cl)c1)CCC(F)(F)F ZINC000156753621 463064144 /nfs/dbraw/zinc/06/41/44/463064144.db2.gz GFMJVLXAWKLMKP-AWEZNQCLSA-N 1 2 335.753 2.299 20 30 EEEDLO OC[C@@H](O)C[N@H+](CC#Cc1cccc(Cl)c1)CCC(F)(F)F ZINC000156753621 463064148 /nfs/dbraw/zinc/06/41/48/463064148.db2.gz GFMJVLXAWKLMKP-AWEZNQCLSA-N 1 2 335.753 2.299 20 30 EEEDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000157143601 463102137 /nfs/dbraw/zinc/10/21/37/463102137.db2.gz PDKXACHTSIQQNK-IUODEOHRSA-N 1 2 329.318 2.018 20 30 EEEDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000157143601 463102138 /nfs/dbraw/zinc/10/21/38/463102138.db2.gz PDKXACHTSIQQNK-IUODEOHRSA-N 1 2 329.318 2.018 20 30 EEEDLO Cc1cccc(C)c1OCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000078687084 463140492 /nfs/dbraw/zinc/14/04/92/463140492.db2.gz GTDJQVPNHKOCCX-UHFFFAOYSA-N 1 2 331.460 2.230 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(OC)c(OC)c2)n1 ZINC000491287877 468341714 /nfs/dbraw/zinc/34/17/14/468341714.db2.gz ONSWVWSACYALSK-UHFFFAOYSA-N 1 2 343.427 2.182 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(OC)c(OC)c2)n1 ZINC000491287877 468341720 /nfs/dbraw/zinc/34/17/20/468341720.db2.gz ONSWVWSACYALSK-UHFFFAOYSA-N 1 2 343.427 2.182 20 30 EEEDLO CCC[C@H]1C[N@H+](CCOc2cccc(C#N)c2)CCN1CCOC ZINC000121703064 463181675 /nfs/dbraw/zinc/18/16/75/463181675.db2.gz HFWSTLYXLAAZLW-SFHVURJKSA-N 1 2 331.460 2.370 20 30 EEEDLO CCC[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCN1CCOC ZINC000121703064 463181676 /nfs/dbraw/zinc/18/16/76/463181676.db2.gz HFWSTLYXLAAZLW-SFHVURJKSA-N 1 2 331.460 2.370 20 30 EEEDLO COC(=O)C1([NH2+]CCOc2ccc(C#N)cc2OC)CCCCC1 ZINC000158082536 463202913 /nfs/dbraw/zinc/20/29/13/463202913.db2.gz VOGDREXJWMCYLE-UHFFFAOYSA-N 1 2 332.400 2.411 20 30 EEEDLO O=C([C@@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1)N1CCOCC1 ZINC000158163516 463211300 /nfs/dbraw/zinc/21/13/00/463211300.db2.gz LBAGRWIQYAFNNS-SFHVURJKSA-N 1 2 346.858 2.405 20 30 EEEDLO O=C([C@@H]1CCCC[N@@H+]1CC#Cc1cccc(Cl)c1)N1CCOCC1 ZINC000158163516 463211304 /nfs/dbraw/zinc/21/13/04/463211304.db2.gz LBAGRWIQYAFNNS-SFHVURJKSA-N 1 2 346.858 2.405 20 30 EEEDLO Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000028753576 463233051 /nfs/dbraw/zinc/23/30/51/463233051.db2.gz IITVNYYYHARAJW-UHFFFAOYSA-N 1 2 335.411 2.022 20 30 EEEDLO CCc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n[nH]1 ZINC000028874252 463235568 /nfs/dbraw/zinc/23/55/68/463235568.db2.gz FJUAWJRZLWZEEI-UHFFFAOYSA-N 1 2 337.427 2.192 20 30 EEEDLO CCc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n[nH]1 ZINC000028874252 463235569 /nfs/dbraw/zinc/23/55/69/463235569.db2.gz FJUAWJRZLWZEEI-UHFFFAOYSA-N 1 2 337.427 2.192 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158591421 463242172 /nfs/dbraw/zinc/24/21/72/463242172.db2.gz ORBNFRCLEKXXMQ-FQEVSTJZSA-N 1 2 326.440 2.361 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158591421 463242176 /nfs/dbraw/zinc/24/21/76/463242176.db2.gz ORBNFRCLEKXXMQ-FQEVSTJZSA-N 1 2 326.440 2.361 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000029156851 463244207 /nfs/dbraw/zinc/24/42/07/463244207.db2.gz CCGIDXZBDBDWIU-MAUKXSAKSA-N 1 2 348.516 2.309 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000097054112 463313026 /nfs/dbraw/zinc/31/30/26/463313026.db2.gz UNSIXHDBJCOBQE-UHFFFAOYSA-N 1 2 341.371 2.394 20 30 EEEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000160985020 463388870 /nfs/dbraw/zinc/38/88/70/463388870.db2.gz CIFXKEWYNBIEJS-GOSISDBHSA-N 1 2 330.428 2.075 20 30 EEEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000491427778 468358238 /nfs/dbraw/zinc/35/82/38/468358238.db2.gz MBGHCVNFESZGDW-QGZVFWFLSA-N 1 2 340.402 2.190 20 30 EEEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000491427778 468358243 /nfs/dbraw/zinc/35/82/43/468358243.db2.gz MBGHCVNFESZGDW-QGZVFWFLSA-N 1 2 340.402 2.190 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124926583 463480814 /nfs/dbraw/zinc/48/08/14/463480814.db2.gz KHYMEPBGZPZMPY-APPDUMDISA-N 1 2 333.457 2.282 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@](C)(O)C1 ZINC000124926583 463480821 /nfs/dbraw/zinc/48/08/21/463480821.db2.gz KHYMEPBGZPZMPY-APPDUMDISA-N 1 2 333.457 2.282 20 30 EEEDLO CO/N=C/c1ccc(C(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000041841572 463514391 /nfs/dbraw/zinc/51/43/91/463514391.db2.gz GURXLCIEHXFIIX-CPNJWEJPSA-N 1 2 327.384 2.218 20 30 EEEDLO C=CCC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)C(=O)OCC ZINC000590882540 468364698 /nfs/dbraw/zinc/36/46/98/468364698.db2.gz BTVOULDDBVJWPC-IAGOWNOFSA-N 1 2 345.443 2.060 20 30 EEEDLO C=CCC[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)C(=O)OCC ZINC000590882540 468364703 /nfs/dbraw/zinc/36/47/03/468364703.db2.gz BTVOULDDBVJWPC-IAGOWNOFSA-N 1 2 345.443 2.060 20 30 EEEDLO C#CCCCCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000177467811 463712105 /nfs/dbraw/zinc/71/21/05/463712105.db2.gz MOGLCOMQIRZWRY-GOSISDBHSA-N 1 2 329.444 2.163 20 30 EEEDLO C#CC[N@@H+](CN1CC(=O)N(C(C)C)C1=O)[C@@H]1CCc2ccccc21 ZINC000171024230 463763027 /nfs/dbraw/zinc/76/30/27/463763027.db2.gz WAFXPJQCAVUUKT-QGZVFWFLSA-N 1 2 325.412 2.239 20 30 EEEDLO C#CC[N@H+](CN1CC(=O)N(C(C)C)C1=O)[C@@H]1CCc2ccccc21 ZINC000171024230 463763035 /nfs/dbraw/zinc/76/30/35/463763035.db2.gz WAFXPJQCAVUUKT-QGZVFWFLSA-N 1 2 325.412 2.239 20 30 EEEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cc(C#N)ccc1Cl ZINC000286992407 463766048 /nfs/dbraw/zinc/76/60/48/463766048.db2.gz IEUFFIDTZYMUEC-UHFFFAOYSA-N 1 2 335.835 2.394 20 30 EEEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cc(C#N)ccc1Cl ZINC000286992407 463766056 /nfs/dbraw/zinc/76/60/56/463766056.db2.gz IEUFFIDTZYMUEC-UHFFFAOYSA-N 1 2 335.835 2.394 20 30 EEEDLO CCN(C(=O)[C@@H](C)[NH+]1CCN(C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000185433068 463821689 /nfs/dbraw/zinc/82/16/89/463821689.db2.gz MLFKRUBZMXWNEQ-HZPDHXFCSA-N 1 2 328.460 2.104 20 30 EEEDLO C=CCCCN(C)C(=O)C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000283400916 463873070 /nfs/dbraw/zinc/87/30/70/463873070.db2.gz HUQHFLCTYIMSLG-UHFFFAOYSA-N 1 2 331.460 2.444 20 30 EEEDLO C=CCCCN(C)C(=O)C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000283400916 463873074 /nfs/dbraw/zinc/87/30/74/463873074.db2.gz HUQHFLCTYIMSLG-UHFFFAOYSA-N 1 2 331.460 2.444 20 30 EEEDLO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000278555156 463971764 /nfs/dbraw/zinc/97/17/64/463971764.db2.gz HVJKPUZKBMNRTP-DLBZAZTESA-N 1 2 347.484 2.302 20 30 EEEDLO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1nc(-c2nc[nH]n2)no1 ZINC000178979282 464029159 /nfs/dbraw/zinc/02/91/59/464029159.db2.gz FVYYFWZTQIHMGO-ZDUSSCGKSA-N 1 2 341.350 2.352 20 30 EEEDLO CCOc1ccccc1[C@H](CC)NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000283912775 464039012 /nfs/dbraw/zinc/03/90/12/464039012.db2.gz DPSCSCXKYMAQMV-HOCLYGCPSA-N 1 2 349.431 2.120 20 30 EEEDLO N#CC1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000195325574 464040808 /nfs/dbraw/zinc/04/08/08/464040808.db2.gz PCJQLQYGYTVZNN-SFHVURJKSA-N 1 2 342.443 2.005 20 30 EEEDLO Cc1nc(CC[NH+]2CCN(c3snc(C)c3C#N)CC2)cs1 ZINC000289371403 464075889 /nfs/dbraw/zinc/07/58/89/464075889.db2.gz BHZXDGZPKKQFOU-UHFFFAOYSA-N 1 2 333.486 2.453 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000289787664 464095561 /nfs/dbraw/zinc/09/55/61/464095561.db2.gz LKTLSORGYTWPKB-UHFFFAOYSA-N 1 2 343.430 2.426 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(OC)c(O)c(OC)c2)n1 ZINC000289941951 464101201 /nfs/dbraw/zinc/10/12/01/464101201.db2.gz ZOLGXKKCBWNMFK-UHFFFAOYSA-N 1 2 329.400 2.261 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(OC)c(O)c(OC)c2)n1 ZINC000289941951 464101206 /nfs/dbraw/zinc/10/12/06/464101206.db2.gz ZOLGXKKCBWNMFK-UHFFFAOYSA-N 1 2 329.400 2.261 20 30 EEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)c1cncc(C#N)c1 ZINC000290160513 464109199 /nfs/dbraw/zinc/10/91/99/464109199.db2.gz OOPTYGGISYJJOQ-HNNXBMFYSA-N 1 2 345.428 2.086 20 30 EEEDLO Cn1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C2CC2)n1 ZINC000290849345 464134108 /nfs/dbraw/zinc/13/41/08/464134108.db2.gz ZXNXGYICPXFVDB-UHFFFAOYSA-N 1 2 349.438 2.127 20 30 EEEDLO C[C@@H](NC(=O)[C@H](C)O[NH+]=C(N)[C@H]1CCCO1)c1cc2ccccc2o1 ZINC000284405968 464180691 /nfs/dbraw/zinc/18/06/91/464180691.db2.gz NFYMZTOTKWWPOB-TYNCELHUSA-N 1 2 345.399 2.466 20 30 EEEDLO C[C@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)Nc1ccccc1OC(F)F ZINC000284441958 464193210 /nfs/dbraw/zinc/19/32/10/464193210.db2.gz PJGCPFGTQBFSTF-JOYOIKCWSA-N 1 2 343.330 2.083 20 30 EEEDLO CC(C)[C@@H](NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000284527129 464229694 /nfs/dbraw/zinc/22/96/94/464229694.db2.gz UWAZOOPDLUIYRE-GOEBONIOSA-N 1 2 337.395 2.107 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000280691592 464231854 /nfs/dbraw/zinc/23/18/54/464231854.db2.gz FSXPTQUPROWCQI-RKVPGOIHSA-N 1 2 332.448 2.078 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000280691592 464231856 /nfs/dbraw/zinc/23/18/56/464231856.db2.gz FSXPTQUPROWCQI-RKVPGOIHSA-N 1 2 332.448 2.078 20 30 EEEDLO CCOc1ccc(-c2noc(CO[NH+]=C(N)[C@H]3CCCO3)n2)cc1 ZINC000284532687 464233090 /nfs/dbraw/zinc/23/30/90/464233090.db2.gz VBUUHQWNLAQZNK-CYBMUJFWSA-N 1 2 332.360 2.103 20 30 EEEDLO C=CC[NH+]1CCC(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000271312475 464292945 /nfs/dbraw/zinc/29/29/45/464292945.db2.gz STBPIPLNOBUPSS-UHFFFAOYSA-N 1 2 345.446 2.122 20 30 EEEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCO[C@H](C#N)C3)n2)C1 ZINC000264322397 464294923 /nfs/dbraw/zinc/29/49/23/464294923.db2.gz BNFUCDZDYKVVFD-TZMCWYRMSA-N 1 2 349.460 2.131 20 30 EEEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCO[C@H](C#N)C3)n2)C1 ZINC000264322397 464294929 /nfs/dbraw/zinc/29/49/29/464294929.db2.gz BNFUCDZDYKVVFD-TZMCWYRMSA-N 1 2 349.460 2.131 20 30 EEEDLO CCN1CCN([C@@H](C)C(=O)Nc2nccs2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329895804 465465777 /nfs/dbraw/zinc/46/57/77/465465777.db2.gz CCYPTSJNEJYDFU-NWDGAFQWSA-N 1 2 334.449 2.222 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2cc(C)ccc2C)C1=O ZINC000281251789 464387089 /nfs/dbraw/zinc/38/70/89/464387089.db2.gz GVLQPVOMRASMFQ-NVXWUHKLSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2cc(C)ccc2C)C1=O ZINC000281251789 464387094 /nfs/dbraw/zinc/38/70/94/464387094.db2.gz GVLQPVOMRASMFQ-NVXWUHKLSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@@H]([NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)C1=O ZINC000281367075 464428561 /nfs/dbraw/zinc/42/85/61/464428561.db2.gz YEEICTMIHRQJHN-SJORKVTESA-N 1 2 328.391 2.025 20 30 EEEDLO CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000294440690 464501447 /nfs/dbraw/zinc/50/14/47/464501447.db2.gz ZYPOEEQDWIHZHK-MRXNPFEDSA-N 1 2 335.411 2.028 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000281630625 464528668 /nfs/dbraw/zinc/52/86/68/464528668.db2.gz XMYJROKKXLNBSX-AEFFLSMTSA-N 1 2 344.459 2.462 20 30 EEEDLO CCC[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H](CC)C(=O)OCC ZINC000190363037 464627955 /nfs/dbraw/zinc/62/79/55/464627955.db2.gz RHVKKUQIOLRJQK-HNNXBMFYSA-N 1 2 337.464 2.383 20 30 EEEDLO CCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H](CC)C(=O)OCC ZINC000190363037 464627961 /nfs/dbraw/zinc/62/79/61/464627961.db2.gz RHVKKUQIOLRJQK-HNNXBMFYSA-N 1 2 337.464 2.383 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](Cc2ccccc2OC)C[C@H]2CCCO2)C1=O ZINC000281985378 464658137 /nfs/dbraw/zinc/65/81/37/464658137.db2.gz MIVYJOHHQTYJFX-QZTJIDSGSA-N 1 2 344.455 2.463 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](Cc2ccccc2OC)C[C@H]2CCCO2)C1=O ZINC000281985378 464658140 /nfs/dbraw/zinc/65/81/40/464658140.db2.gz MIVYJOHHQTYJFX-QZTJIDSGSA-N 1 2 344.455 2.463 20 30 EEEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccccc2N2CCCC2=O)CC1 ZINC000272572534 464664648 /nfs/dbraw/zinc/66/46/48/464664648.db2.gz NEXSLOXRAXKNNF-UHFFFAOYSA-N 1 2 340.427 2.378 20 30 EEEDLO CCS(=O)(=O)CCCCCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000190643634 464693766 /nfs/dbraw/zinc/69/37/66/464693766.db2.gz CKBRTPIKWXULBD-UHFFFAOYSA-N 1 2 330.425 2.376 20 30 EEEDLO CCS(=O)(=O)CCCCCO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000190641569 464694548 /nfs/dbraw/zinc/69/45/48/464694548.db2.gz VBXZLUCAESAQBF-UHFFFAOYSA-N 1 2 330.425 2.376 20 30 EEEDLO N#CCCCS(=O)(=O)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000190911879 464743695 /nfs/dbraw/zinc/74/36/95/464743695.db2.gz OMPNZUWCKNVLOB-UHFFFAOYSA-N 1 2 342.218 2.315 20 30 EEEDLO CC(C)(C)OC(=O)Nc1ncc(C[NH+]2CCN(CC#N)CC2)s1 ZINC000282261584 464755164 /nfs/dbraw/zinc/75/51/64/464755164.db2.gz CVFIAJMOAUSBON-UHFFFAOYSA-N 1 2 337.449 2.131 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC000597020881 468418826 /nfs/dbraw/zinc/41/88/26/468418826.db2.gz KGPWCNPNTYLTEZ-IRXDYDNUSA-N 1 2 333.476 2.277 20 30 EEEDLO CCCCC[N@H+](CC(N)=O)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000183041506 464782656 /nfs/dbraw/zinc/78/26/56/464782656.db2.gz NWNRRDGRQLHGRQ-UHFFFAOYSA-N 1 2 336.461 2.153 20 30 EEEDLO CCCCC[N@@H+](CC(N)=O)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000183041506 464782661 /nfs/dbraw/zinc/78/26/61/464782661.db2.gz NWNRRDGRQLHGRQ-UHFFFAOYSA-N 1 2 336.461 2.153 20 30 EEEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccnc1 ZINC000266784075 464820970 /nfs/dbraw/zinc/82/09/70/464820970.db2.gz DBQNFVMAJNUUDC-INIZCTEOSA-N 1 2 334.423 2.401 20 30 EEEDLO C[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000267558505 464935989 /nfs/dbraw/zinc/93/59/89/464935989.db2.gz ZRXFIQSCYIQXLG-YOEHRIQHSA-N 1 2 346.450 2.391 20 30 EEEDLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCC(O)(C(F)(F)F)CC1 ZINC000329437710 465334244 /nfs/dbraw/zinc/33/42/44/465334244.db2.gz AINANRPIXOBBCM-UHFFFAOYSA-N 1 2 328.294 2.269 20 30 EEEDLO O=C(NCC1CC1)[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329619155 465388900 /nfs/dbraw/zinc/38/89/00/465388900.db2.gz QTDWOOQWHNWGEE-ZIAGYGMSSA-N 1 2 345.447 2.260 20 30 EEEDLO O=C(NCC1CC1)[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329619155 465388907 /nfs/dbraw/zinc/38/89/07/465388907.db2.gz QTDWOOQWHNWGEE-ZIAGYGMSSA-N 1 2 345.447 2.260 20 30 EEEDLO C[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)NCC(=O)c1ccc(C#N)cc1 ZINC000348071256 465405463 /nfs/dbraw/zinc/40/54/63/465405463.db2.gz JNAQKNUVEYSUKM-YOEHRIQHSA-N 1 2 348.406 2.025 20 30 EEEDLO C[C@]1(CNC(=O)N2CCn3cc[nH+]c3C2)OCCc2sccc21 ZINC000329758377 465425441 /nfs/dbraw/zinc/42/54/41/465425441.db2.gz ZYOBZZDRVCJOBZ-MRXNPFEDSA-N 1 2 332.429 2.162 20 30 EEEDLO Cc1coc(-c2cccc(NC(=O)NC[C@H]3CN(C)CC[N@@H+]3C)c2)n1 ZINC000329830264 465447198 /nfs/dbraw/zinc/44/71/98/465447198.db2.gz FAIIDPMALCBJAJ-INIZCTEOSA-N 1 2 343.431 2.222 20 30 EEEDLO Cc1coc(-c2cccc(NC(=O)NC[C@H]3CN(C)CC[N@H+]3C)c2)n1 ZINC000329830264 465447203 /nfs/dbraw/zinc/44/72/03/465447203.db2.gz FAIIDPMALCBJAJ-INIZCTEOSA-N 1 2 343.431 2.222 20 30 EEEDLO CCN1CCN(C(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329963116 465489769 /nfs/dbraw/zinc/48/97/69/465489769.db2.gz PQUXGQPACKQVJF-LBTNJELSSA-N 1 2 349.479 2.206 20 30 EEEDLO CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)s1 ZINC000329970886 465492103 /nfs/dbraw/zinc/49/21/03/465492103.db2.gz XJCVOFWHRWUJFS-SNVBAGLBSA-N 1 2 339.442 2.067 20 30 EEEDLO Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)C2CCOCC2)c(C)[nH+]1 ZINC000330082311 465526898 /nfs/dbraw/zinc/52/68/98/465526898.db2.gz ARCYFSFTUGZMTK-LBPRGKRZSA-N 1 2 326.418 2.269 20 30 EEEDLO O=C(N[C@@H]1CCCc2c[nH]nc21)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330129909 465542589 /nfs/dbraw/zinc/54/25/89/465542589.db2.gz KEPAPHUVHCBSEX-HUUCEWRRSA-N 1 2 327.388 2.249 20 30 EEEDLO C=CC[N@H+](CCc1ccco1)CC(=O)NCC(=O)c1cccs1 ZINC000352701717 465550993 /nfs/dbraw/zinc/55/09/93/465550993.db2.gz MYQRJDNUGOJKMY-UHFFFAOYSA-N 1 2 332.425 2.371 20 30 EEEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)NCC(=O)c1cccs1 ZINC000352701717 465550996 /nfs/dbraw/zinc/55/09/96/465550996.db2.gz MYQRJDNUGOJKMY-UHFFFAOYSA-N 1 2 332.425 2.371 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)Nc1c(C)n[nH]c1C)Cc1ccc(CO)o1 ZINC000352814817 465558943 /nfs/dbraw/zinc/55/89/43/465558943.db2.gz JXQIRIKFVGUGCW-UHFFFAOYSA-N 1 2 332.404 2.129 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)Nc1c(C)n[nH]c1C)Cc1ccc(CO)o1 ZINC000352814817 465558948 /nfs/dbraw/zinc/55/89/48/465558948.db2.gz JXQIRIKFVGUGCW-UHFFFAOYSA-N 1 2 332.404 2.129 20 30 EEEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C ZINC000330234384 465580344 /nfs/dbraw/zinc/58/03/44/465580344.db2.gz SOVFTXZNTPTXOH-CHWSQXEVSA-N 1 2 346.431 2.138 20 30 EEEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2C ZINC000330234384 465580350 /nfs/dbraw/zinc/58/03/50/465580350.db2.gz SOVFTXZNTPTXOH-CHWSQXEVSA-N 1 2 346.431 2.138 20 30 EEEDLO COc1cc[nH+]cc1CNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000348423668 465598446 /nfs/dbraw/zinc/59/84/46/465598446.db2.gz VMLAVOSAVPEHKH-UHFFFAOYSA-N 1 2 347.378 2.386 20 30 EEEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000330356835 465629939 /nfs/dbraw/zinc/62/99/39/465629939.db2.gz SCDOFZFTPTUZNC-ZLIFDBKOSA-N 1 2 346.431 2.286 20 30 EEEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000330356835 465629947 /nfs/dbraw/zinc/62/99/47/465629947.db2.gz SCDOFZFTPTUZNC-ZLIFDBKOSA-N 1 2 346.431 2.286 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(CCO[C@H]3CCCCO3)CC2)cc1 ZINC000299573298 465807428 /nfs/dbraw/zinc/80/74/28/465807428.db2.gz OPEHPPWZTNFDHI-IBGZPJMESA-N 1 2 329.444 2.219 20 30 EEEDLO COC(=O)[C@@](C)([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000569208469 468455365 /nfs/dbraw/zinc/45/53/65/468455365.db2.gz KLJPBHWEJUNSBN-KRWDZBQOSA-N 1 2 349.818 2.472 20 30 EEEDLO N#Cc1ccc(OCC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000338227999 465918941 /nfs/dbraw/zinc/91/89/41/465918941.db2.gz NFXNPLJUEVMGSJ-UHFFFAOYSA-N 1 2 346.390 2.498 20 30 EEEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ncc(C(C)(C)C)s1 ZINC000331226616 465988961 /nfs/dbraw/zinc/98/89/61/465988961.db2.gz BBWFMKWRNSQBIW-NSHDSACASA-N 1 2 326.466 2.487 20 30 EEEDLO C#C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC)C(C)C ZINC000366994120 466061493 /nfs/dbraw/zinc/06/14/93/466061493.db2.gz BBFJDZDNNLJYDE-DOTOQJQBSA-N 1 2 340.427 2.475 20 30 EEEDLO N#Cc1ccc([C@H]([NH2+][C@H]2COc3ccc(Cl)cc32)C(N)=O)cc1 ZINC000353853393 466202106 /nfs/dbraw/zinc/20/21/06/466202106.db2.gz SGZIHGUWGKHPDB-HOCLYGCPSA-N 1 2 327.771 2.461 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@](F)(CO)C2)c1 ZINC000338588052 466238948 /nfs/dbraw/zinc/23/89/48/466238948.db2.gz SCWNYXZXXSTATB-VQIMIIECSA-N 1 2 347.434 2.345 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@](F)(CO)C2)c1 ZINC000338588052 466238954 /nfs/dbraw/zinc/23/89/54/466238954.db2.gz SCWNYXZXXSTATB-VQIMIIECSA-N 1 2 347.434 2.345 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2C[C@H](OC)C[C@@H]2C(=O)OC)cc1OC ZINC000372399182 466352808 /nfs/dbraw/zinc/35/28/08/466352808.db2.gz DAKSFTIWOPRSRC-HUUCEWRRSA-N 1 2 335.400 2.022 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2C[C@H](OC)C[C@@H]2C(=O)OC)cc1OC ZINC000372399182 466352816 /nfs/dbraw/zinc/35/28/16/466352816.db2.gz DAKSFTIWOPRSRC-HUUCEWRRSA-N 1 2 335.400 2.022 20 30 EEEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000305194227 466374024 /nfs/dbraw/zinc/37/40/24/466374024.db2.gz YXLSPFLMOVMTHS-OAHLLOKOSA-N 1 2 341.333 2.132 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2C)c1C#N ZINC000340884222 466407871 /nfs/dbraw/zinc/40/78/71/466407871.db2.gz BNWSGLYACBIPEP-MLGOLLRUSA-N 1 2 344.459 2.485 20 30 EEEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2C)c1C#N ZINC000340884222 466407878 /nfs/dbraw/zinc/40/78/78/466407878.db2.gz BNWSGLYACBIPEP-MLGOLLRUSA-N 1 2 344.459 2.485 20 30 EEEDLO C=CCN(CCOC)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000358157367 466500093 /nfs/dbraw/zinc/50/00/93/466500093.db2.gz WXPKEUPZYVBMLM-INIZCTEOSA-N 1 2 346.406 2.493 20 30 EEEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1S(=O)(=O)[C@@H](C)C#N ZINC000416442228 466734807 /nfs/dbraw/zinc/73/48/07/466734807.db2.gz SOMTXAAMBQMEML-GXTWGEPZSA-N 1 2 332.429 2.051 20 30 EEEDLO Cc1cccc(S(=O)(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1C#N ZINC000375929480 466882694 /nfs/dbraw/zinc/88/26/94/466882694.db2.gz CVLRAFJSGCKJAX-CQSZACIVSA-N 1 2 344.440 2.169 20 30 EEEDLO N#CCCn1ncc(C(=O)NCCn2cc[nH+]c2)c1-c1ccccc1 ZINC000428335166 467223980 /nfs/dbraw/zinc/22/39/80/467223980.db2.gz XKSRLMNFNGUPEZ-UHFFFAOYSA-N 1 2 334.383 2.090 20 30 EEEDLO C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CS1 ZINC000413723268 467300310 /nfs/dbraw/zinc/30/03/10/467300310.db2.gz QBSSFAXEZZZXRR-RHSMWYFYSA-N 1 2 344.484 2.279 20 30 EEEDLO Cn1c[nH+]cc1CCC(=O)N(CCC#N)c1ccc2c(c1)OCCO2 ZINC000527000549 467652295 /nfs/dbraw/zinc/65/22/95/467652295.db2.gz KAMUFRBXKVGOCV-UHFFFAOYSA-N 1 2 340.383 2.071 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1O ZINC000527190190 467656765 /nfs/dbraw/zinc/65/67/65/467656765.db2.gz KHUGMQLBJXDFFE-UHFFFAOYSA-N 1 2 327.409 2.283 20 30 EEEDLO Cc1nc(SCC(=O)NC2C[NH+](C(C)C)C2)c(C#N)c(C)c1C ZINC000457742918 467693950 /nfs/dbraw/zinc/69/39/50/467693950.db2.gz LRLFYJRIDAYFOS-UHFFFAOYSA-N 1 2 332.473 2.179 20 30 EEEDLO N#CC1(NC(=O)C[NH+]2CCC(Oc3cccc(F)c3)CC2)CCC1 ZINC000528569929 467705126 /nfs/dbraw/zinc/70/51/26/467705126.db2.gz AGBWARIHOQGOER-UHFFFAOYSA-N 1 2 331.391 2.231 20 30 EEEDLO CCN1CCN(C(=O)/C=C\c2ccc(C#N)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000492723116 467728683 /nfs/dbraw/zinc/72/86/83/467728683.db2.gz WGSJBLXYZXPPLS-ZPUOCTKUSA-N 1 2 335.411 2.200 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)C1=O ZINC000492907934 467790314 /nfs/dbraw/zinc/79/03/14/467790314.db2.gz RLGJEGCWMCCNQW-ZNMIVQPWSA-N 1 2 337.464 2.103 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)C1=O ZINC000492907934 467790320 /nfs/dbraw/zinc/79/03/20/467790320.db2.gz RLGJEGCWMCCNQW-ZNMIVQPWSA-N 1 2 337.464 2.103 20 30 EEEDLO CCOc1ccc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1OCC ZINC000493329048 467887706 /nfs/dbraw/zinc/88/77/06/467887706.db2.gz BSCQYFIAGQSQMO-SINXNMPMSA-N 1 2 345.443 2.457 20 30 EEEDLO C#CC[C@H]([NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC ZINC000497260741 467910299 /nfs/dbraw/zinc/91/02/99/467910299.db2.gz CICBNSQJRBREKU-ZNMIVQPWSA-N 1 2 338.448 2.319 20 30 EEEDLO CCOc1ccc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1OC ZINC000493465463 467916740 /nfs/dbraw/zinc/91/67/40/467916740.db2.gz QVOVAIGBSDOWGX-LNENJAERSA-N 1 2 331.416 2.067 20 30 EEEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000493658529 467958505 /nfs/dbraw/zinc/95/85/05/467958505.db2.gz UPBGNNYKGOPQEK-MJRGOJFPSA-N 1 2 347.422 2.094 20 30 EEEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000493658529 467958508 /nfs/dbraw/zinc/95/85/08/467958508.db2.gz UPBGNNYKGOPQEK-MJRGOJFPSA-N 1 2 347.422 2.094 20 30 EEEDLO CCOc1nc(C(F)(F)F)ccc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000515655905 468000768 /nfs/dbraw/zinc/00/07/68/468000768.db2.gz VVDIVFLUGVDSBL-CQSZACIVSA-N 1 2 344.337 2.073 20 30 EEEDLO N#Cc1c2c(cnc1NC[C@]1([NH+]3CCOCC3)CCSC1)CCC2 ZINC000516052284 468010732 /nfs/dbraw/zinc/01/07/32/468010732.db2.gz KLIDVVVSVHZEIW-GOSISDBHSA-N 1 2 344.484 2.062 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)c(C)n3)CC2)no1 ZINC000487740284 468052173 /nfs/dbraw/zinc/05/21/73/468052173.db2.gz PBONZDHRJKWPTN-MRXNPFEDSA-N 1 2 340.431 2.444 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)c(C)n3)CC2)no1 ZINC000487740284 468052175 /nfs/dbraw/zinc/05/21/75/468052175.db2.gz PBONZDHRJKWPTN-MRXNPFEDSA-N 1 2 340.431 2.444 20 30 EEEDLO C[C@H](C#N)C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000495746638 468101992 /nfs/dbraw/zinc/10/19/92/468101992.db2.gz OJDQPMYPODAFER-OAHLLOKOSA-N 1 2 336.480 2.163 20 30 EEEDLO C[C@H](C#N)C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000495746638 468101995 /nfs/dbraw/zinc/10/19/95/468101995.db2.gz OJDQPMYPODAFER-OAHLLOKOSA-N 1 2 336.480 2.163 20 30 EEEDLO C[C@H](C#N)CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000495746638 468101997 /nfs/dbraw/zinc/10/19/97/468101997.db2.gz OJDQPMYPODAFER-OAHLLOKOSA-N 1 2 336.480 2.163 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3nc(C#N)cs3)[C@@H]2C1 ZINC000496281647 468138672 /nfs/dbraw/zinc/13/86/72/468138672.db2.gz HCFBIXOYAFRLNT-WCQYABFASA-N 1 2 334.445 2.456 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3nc(C#N)cs3)[C@@H]2C1 ZINC000496281647 468138676 /nfs/dbraw/zinc/13/86/76/468138676.db2.gz HCFBIXOYAFRLNT-WCQYABFASA-N 1 2 334.445 2.456 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1c(F)ccc(Br)c1F ZINC000566309824 468150234 /nfs/dbraw/zinc/15/02/34/468150234.db2.gz UGSFFXVQSLWYBH-ZDUSSCGKSA-N 1 2 346.175 2.301 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000567545408 468173249 /nfs/dbraw/zinc/17/32/49/468173249.db2.gz FFZPPPJFSSPKSM-HZPDHXFCSA-N 1 2 337.508 2.378 20 30 EEEDLO N#CCC[N@@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)CC1CC1 ZINC000550709976 468222878 /nfs/dbraw/zinc/22/28/78/468222878.db2.gz CILQCOWWMIIJKZ-UHFFFAOYSA-N 1 2 327.837 2.113 20 30 EEEDLO N#CCC[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)CC1CC1 ZINC000550709976 468222882 /nfs/dbraw/zinc/22/28/82/468222882.db2.gz CILQCOWWMIIJKZ-UHFFFAOYSA-N 1 2 327.837 2.113 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ccccc1Br ZINC000567995508 468252842 /nfs/dbraw/zinc/25/28/42/468252842.db2.gz MQCCKGJOFGAAAU-OAHLLOKOSA-N 1 2 338.249 2.342 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)N(Cc2ccco2)c2ccccc2)C1 ZINC000592146910 468637467 /nfs/dbraw/zinc/63/74/67/468637467.db2.gz GWOURLCQSBTECZ-IBGZPJMESA-N 1 2 339.395 2.163 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)N(Cc2ccco2)c2ccccc2)C1 ZINC000592146910 468637471 /nfs/dbraw/zinc/63/74/71/468637471.db2.gz GWOURLCQSBTECZ-IBGZPJMESA-N 1 2 339.395 2.163 20 30 EEEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597710438 468647260 /nfs/dbraw/zinc/64/72/60/468647260.db2.gz UNOUNRQXDXMPTQ-QFBILLFUSA-N 1 2 341.455 2.060 20 30 EEEDLO Cc1nc(SCC(=O)N(C)Cc2c[nH+]c[nH]2)c(C#N)c(C)c1C ZINC000597865102 468698348 /nfs/dbraw/zinc/69/83/48/468698348.db2.gz SADWTXYCUHKPJV-UHFFFAOYSA-N 1 2 329.429 2.352 20 30 EEEDLO Cc1nc(SCC(=O)N(C)Cc2c[nH]c[nH+]2)c(C#N)c(C)c1C ZINC000597865102 468698351 /nfs/dbraw/zinc/69/83/51/468698351.db2.gz SADWTXYCUHKPJV-UHFFFAOYSA-N 1 2 329.429 2.352 20 30 EEEDLO CC[C@H](C(=O)NCCc1ccc(C#N)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000597891389 468704472 /nfs/dbraw/zinc/70/44/72/468704472.db2.gz ZYZOQFRJPCZTAR-QZTJIDSGSA-N 1 2 329.444 2.106 20 30 EEEDLO CC[C@H](C(=O)NCCc1ccc(C#N)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000597891389 468704476 /nfs/dbraw/zinc/70/44/76/468704476.db2.gz ZYZOQFRJPCZTAR-QZTJIDSGSA-N 1 2 329.444 2.106 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(F)ccc1Br ZINC000571947683 468861247 /nfs/dbraw/zinc/86/12/47/468861247.db2.gz JHOHWSNUIUOGSK-ZDUSSCGKSA-N 1 2 328.185 2.162 20 30 EEEDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2c(C)cc(F)cc2C#N)CC1 ZINC000601432477 468870939 /nfs/dbraw/zinc/87/09/39/468870939.db2.gz XTRZXIRUBYBKOM-ZDUSSCGKSA-N 1 2 339.436 2.111 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000593155646 468889410 /nfs/dbraw/zinc/88/94/10/468889410.db2.gz NFDQPMMUSDPVFY-QGZVFWFLSA-N 1 2 348.834 2.040 20 30 EEEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000572573109 468950071 /nfs/dbraw/zinc/95/00/71/468950071.db2.gz KLIAWZUYXGTFQW-UHFFFAOYSA-N 1 2 335.835 2.394 20 30 EEEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000572573109 468950075 /nfs/dbraw/zinc/95/00/75/468950075.db2.gz KLIAWZUYXGTFQW-UHFFFAOYSA-N 1 2 335.835 2.394 20 30 EEEDLO C[C@@H](CCC#N)CNc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000602647297 468985442 /nfs/dbraw/zinc/98/54/42/468985442.db2.gz ZOHDOOJARDJHBU-INIZCTEOSA-N 1 2 344.459 2.100 20 30 EEEDLO Cc1nsc(N2CC[NH+](Cc3cccc(F)c3N)CC2)c1C#N ZINC000602666815 468997159 /nfs/dbraw/zinc/99/71/59/468997159.db2.gz LGCQGTNTDOTELA-UHFFFAOYSA-N 1 2 331.420 2.367 20 30 EEEDLO N#CCC1(C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)CC1 ZINC000602794185 469079644 /nfs/dbraw/zinc/07/96/44/469079644.db2.gz HUZFKHPLEIRFFB-UHFFFAOYSA-N 1 2 330.407 2.076 20 30 EEEDLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000610861974 469094098 /nfs/dbraw/zinc/09/40/98/469094098.db2.gz KSKVJXSNZYZLOG-GOSISDBHSA-N 1 2 337.427 2.272 20 30 EEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)CCCCCC#N)CC1 ZINC000588149425 469123077 /nfs/dbraw/zinc/12/30/77/469123077.db2.gz HBPZRKUNMWJHIA-QGZVFWFLSA-N 1 2 348.491 2.006 20 30 EEEDLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)CC#N)c1 ZINC000602860607 469126536 /nfs/dbraw/zinc/12/65/36/469126536.db2.gz CMJHGFSOGRBZAI-BBRMVZONSA-N 1 2 331.416 2.259 20 30 EEEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)CC#N)c1 ZINC000602864730 469127312 /nfs/dbraw/zinc/12/73/12/469127312.db2.gz VGIUSAXOMPIRPI-KGLIPLIRSA-N 1 2 330.432 2.387 20 30 EEEDLO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[NH2+][C@H](C)CC#N ZINC000602865710 469127840 /nfs/dbraw/zinc/12/78/40/469127840.db2.gz XNVISLAVEKLWTN-CQSZACIVSA-N 1 2 339.443 2.056 20 30 EEEDLO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCN(CCC#N)CC1 ZINC000611175541 469182503 /nfs/dbraw/zinc/18/25/03/469182503.db2.gz ZINVHFXHMLVWMT-SFHVURJKSA-N 1 2 328.460 2.127 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1N(C[C@@H](O)COc2ccccc2C#N)CC1(C)C ZINC000599433635 469253906 /nfs/dbraw/zinc/25/39/06/469253906.db2.gz JPJKVWYXFURUBC-WBVHZDCISA-N 1 2 340.427 2.115 20 30 EEEDLO N#Cc1cnn(-c2ccccc2)c1N1CC[NH+](Cc2ccccn2)CC1 ZINC000603275142 469332713 /nfs/dbraw/zinc/33/27/13/469332713.db2.gz QKYJQJYGUUHASE-UHFFFAOYSA-N 1 2 344.422 2.461 20 30 EEEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)NCCCC#N)CC1 ZINC000612154853 469407707 /nfs/dbraw/zinc/40/77/07/469407707.db2.gz IAXJWJIYROTMMX-UHFFFAOYSA-N 1 2 330.432 2.135 20 30 EEEDLO C=CCc1ccc(OCC(=O)N[C@@H]2CCn3c[nH+]cc3C2)c(OC)c1 ZINC000623297147 469614448 /nfs/dbraw/zinc/61/44/48/469614448.db2.gz YSGUDODPNZLLFM-OAHLLOKOSA-N 1 2 341.411 2.130 20 30 EEEDLO C=CCOc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1OC ZINC000623299319 469615108 /nfs/dbraw/zinc/61/51/08/469615108.db2.gz WDZCSKBDWKEECC-AWEZNQCLSA-N 1 2 327.384 2.201 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N(C)CC2CCCCC2)CC1 ZINC000609539048 469937185 /nfs/dbraw/zinc/93/71/85/469937185.db2.gz QTNNEFRYBCJMCI-SFHVURJKSA-N 1 2 334.508 2.191 20 30 EEEDLO C[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1cccc(C#N)c1 ZINC000610401741 470011134 /nfs/dbraw/zinc/01/11/34/470011134.db2.gz BPYXPXYZEFJSRR-CQSZACIVSA-N 1 2 330.432 2.029 20 30 EEEDLO C[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1cccc(C#N)c1 ZINC000610401741 470011137 /nfs/dbraw/zinc/01/11/37/470011137.db2.gz BPYXPXYZEFJSRR-CQSZACIVSA-N 1 2 330.432 2.029 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N(CC)c2ccccc2)nn1 ZINC000640824326 471047685 /nfs/dbraw/zinc/04/76/85/471047685.db2.gz GHAOCPYIMBCALX-HNNXBMFYSA-N 1 2 325.416 2.005 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000652403135 471286606 /nfs/dbraw/zinc/28/66/06/471286606.db2.gz GDDSJFZNALPVTI-CVEARBPZSA-N 1 2 328.416 2.218 20 30 EEEDLO C=CCCC(C)(C)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000666125339 472314223 /nfs/dbraw/zinc/31/42/23/472314223.db2.gz YVXFJLYZMXHBHY-UHFFFAOYSA-N 1 2 335.452 2.082 20 30 EEEDLO COCC#CC[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000677133199 486378079 /nfs/dbraw/zinc/37/80/79/486378079.db2.gz MOPBIBLIQGJITA-UHFFFAOYSA-N 1 2 330.197 2.032 20 30 EEEDLO COCC#CC[N@@H+](CCO)Cc1cc(Br)ccc1F ZINC000677133199 486378083 /nfs/dbraw/zinc/37/80/83/486378083.db2.gz MOPBIBLIQGJITA-UHFFFAOYSA-N 1 2 330.197 2.032 20 30 EEEDLO COCC#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000677819372 486499928 /nfs/dbraw/zinc/49/99/28/486499928.db2.gz ZZXCAASCZJXDPT-INIZCTEOSA-N 1 2 326.396 2.277 20 30 EEEDLO COCC#CC[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000677819372 486499931 /nfs/dbraw/zinc/49/99/31/486499931.db2.gz ZZXCAASCZJXDPT-INIZCTEOSA-N 1 2 326.396 2.277 20 30 EEEDLO C=CCCCS(=O)(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000489065299 534742099 /nfs/dbraw/zinc/74/20/99/534742099.db2.gz CZSVJMJRBKONIG-OAHLLOKOSA-N 1 2 326.462 2.184 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[NH+](CCN(CC#N)C2CCCC2)CC1 ZINC000495806362 534836660 /nfs/dbraw/zinc/83/66/60/534836660.db2.gz BMWVCVIHDRZKOJ-UHFFFAOYSA-N 1 2 336.480 2.307 20 30 EEEDLO C=CCNC(=O)C[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000181127780 526569568 /nfs/dbraw/zinc/56/95/68/526569568.db2.gz RZWNINKGTALQOW-UHFFFAOYSA-N 1 2 331.441 2.422 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000195066706 526611285 /nfs/dbraw/zinc/61/12/85/526611285.db2.gz CXSGFCUQBATKPZ-GXTWGEPZSA-N 1 2 344.440 2.222 20 30 EEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000192219426 526832331 /nfs/dbraw/zinc/83/23/31/526832331.db2.gz CPVNDSLXDRDDRW-SNVBAGLBSA-N 1 2 342.180 2.183 20 30 EEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000192219426 526832335 /nfs/dbraw/zinc/83/23/35/526832335.db2.gz CPVNDSLXDRDDRW-SNVBAGLBSA-N 1 2 342.180 2.183 20 30 EEEDLO C=CCc1cc(C[NH+]2CCN(C(=O)OCC)CC2)cc(OC)c1O ZINC000158381506 527237129 /nfs/dbraw/zinc/23/71/29/527237129.db2.gz GNJRBSFITCWIGE-UHFFFAOYSA-N 1 2 334.416 2.403 20 30 EEEDLO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)NC1(C#N)CCCCC1)C2 ZINC000106371507 528325967 /nfs/dbraw/zinc/32/59/67/528325967.db2.gz XCURHHILKOQSES-UHFFFAOYSA-N 1 2 343.475 2.244 20 30 EEEDLO COc1ccc([NH+]2CCC(NC(=O)N(C)C[C@@H](C)C#N)CC2)cc1 ZINC000726712918 576291224 /nfs/dbraw/zinc/29/12/24/576291224.db2.gz GAELEUONWWSIRH-AWEZNQCLSA-N 1 2 330.432 2.465 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000730107032 576716200 /nfs/dbraw/zinc/71/62/00/576716200.db2.gz YFXPJUCXBZXKIV-BXWFABGCSA-N 1 2 341.455 2.336 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000730107032 576716203 /nfs/dbraw/zinc/71/62/03/576716203.db2.gz YFXPJUCXBZXKIV-BXWFABGCSA-N 1 2 341.455 2.336 20 30 EEEDLO 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/nfs/dbraw/zinc/90/90/82/577909082.db2.gz ZXJBKKXTFIQLDH-PKOBYXMFSA-N 1 2 345.443 2.277 20 30 EEEDLO CC(C)COC(=O)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000749253336 577973556 /nfs/dbraw/zinc/97/35/56/577973556.db2.gz FBHLBZWGIZYSNR-UHFFFAOYSA-N 1 2 331.416 2.347 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000749326186 577974666 /nfs/dbraw/zinc/97/46/66/577974666.db2.gz ZHSMJBUPDXPTMZ-SNVBAGLBSA-N 1 2 327.182 2.385 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000749326186 577974667 /nfs/dbraw/zinc/97/46/67/577974667.db2.gz ZHSMJBUPDXPTMZ-SNVBAGLBSA-N 1 2 327.182 2.385 20 30 EEEDLO COc1cc(C[N@H+](C)Cn2cccc(C#N)c2=O)ccc1OC(F)F ZINC000750608140 577995854 /nfs/dbraw/zinc/99/58/54/577995854.db2.gz PJBYYTPLBXDZSI-UHFFFAOYSA-N 1 2 349.337 2.419 20 30 EEEDLO COc1cc(C[N@@H+](C)Cn2cccc(C#N)c2=O)ccc1OC(F)F ZINC000750608140 577995855 /nfs/dbraw/zinc/99/58/55/577995855.db2.gz PJBYYTPLBXDZSI-UHFFFAOYSA-N 1 2 349.337 2.419 20 30 EEEDLO 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/nfs/dbraw/zinc/90/15/62/675901562.db2.gz FGISAXBJXRVMCX-UHTWSYAYSA-N 1 2 333.259 2.333 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC000970593243 676011345 /nfs/dbraw/zinc/01/13/45/676011345.db2.gz IQTYZOTXFNENKX-LBPRGKRZSA-N 1 2 345.834 2.274 20 30 EEEDLO C=C1CC(C)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2nnc(C)[nH]2)C1 ZINC001021373390 676021981 /nfs/dbraw/zinc/02/19/81/676021981.db2.gz LAVMFQXYOJAISV-GOOCMWNKSA-N 1 2 329.448 2.081 20 30 EEEDLO C=C1CC(C)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nnc(C)[nH]2)C1 ZINC001021373390 676021983 /nfs/dbraw/zinc/02/19/83/676021983.db2.gz LAVMFQXYOJAISV-GOOCMWNKSA-N 1 2 329.448 2.081 20 30 EEEDLO C[C@@H](NC(=O)c1nccs1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970637149 676041132 /nfs/dbraw/zinc/04/11/32/676041132.db2.gz PIMFQVVMBUESDL-GFCCVEGCSA-N 1 2 326.425 2.265 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccc(NC(C)=O)c2)C1 ZINC000970868432 676206811 /nfs/dbraw/zinc/20/68/11/676206811.db2.gz KNKJJJSWRLNZTC-GFCCVEGCSA-N 1 2 335.835 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329.444 2.385 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)c3cccnc3)C2)C1 ZINC000972580777 679346076 /nfs/dbraw/zinc/34/60/76/679346076.db2.gz BFAKYHRSTYJKMY-APWZRJJASA-N 1 2 329.444 2.065 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)c3cccnc3)C2)C1 ZINC000972580777 679346078 /nfs/dbraw/zinc/34/60/78/679346078.db2.gz BFAKYHRSTYJKMY-APWZRJJASA-N 1 2 329.444 2.065 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC000972586017 679363309 /nfs/dbraw/zinc/36/33/09/679363309.db2.gz UATKPEKOLWKQSP-WSTZPKSXSA-N 1 2 326.440 2.279 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC000972586017 679363310 /nfs/dbraw/zinc/36/33/10/679363310.db2.gz UATKPEKOLWKQSP-WSTZPKSXSA-N 1 2 326.440 2.279 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3cc(C)oc3C)C2)C1 ZINC000972598871 679400272 /nfs/dbraw/zinc/40/02/72/679400272.db2.gz KKYBPWAFOJAJRS-HNAYVOBHSA-N 1 2 332.444 2.489 20 30 EEEDLO 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1199515062 /nfs/dbraw/zinc/51/50/62/1199515062.db2.gz MRHHUUWVIMDHMC-HZPDHXFCSA-N 1 2 335.492 2.228 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCC2CCC2)C1 ZINC001132326719 1199593461 /nfs/dbraw/zinc/59/34/61/1199593461.db2.gz HKGKSYFAQXAZKB-RDJZCZTQSA-N 1 2 349.519 2.474 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NCC2CCC2)C1 ZINC001132326719 1199593465 /nfs/dbraw/zinc/59/34/65/1199593465.db2.gz HKGKSYFAQXAZKB-RDJZCZTQSA-N 1 2 349.519 2.474 20 30 EEEDLO C=CCOCC[N@H+]1C[C@H](NC(=O)c2n[nH]c3ccccc32)CC[C@H]1C ZINC001132457770 1199720992 /nfs/dbraw/zinc/72/09/92/1199720992.db2.gz MXXNFENCZTUCKQ-HUUCEWRRSA-N 1 2 342.443 2.348 20 30 EEEDLO C=CCOCC[N@@H+]1C[C@H](NC(=O)c2n[nH]c3ccccc32)CC[C@H]1C ZINC001132457770 1199720996 /nfs/dbraw/zinc/72/09/96/1199720996.db2.gz MXXNFENCZTUCKQ-HUUCEWRRSA-N 1 2 342.443 2.348 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CNC(=O)CC(C)(C)C)CC[C@@H]1C ZINC001132499121 1199780995 /nfs/dbraw/zinc/78/09/95/1199780995.db2.gz 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C#Cc1ccccc1CC(=O)N1CC[NH2+][C@H](c2cccc(OC)c2)C1 ZINC000870152891 1200514289 /nfs/dbraw/zinc/51/42/89/1200514289.db2.gz MKZUHJGTLCMNGB-FQEVSTJZSA-N 1 2 334.419 2.392 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3cccc(OC)c3)CC2)nc1 ZINC000870155817 1200520216 /nfs/dbraw/zinc/52/02/16/1200520216.db2.gz DQHFKSWYMUZRFX-UHFFFAOYSA-N 1 2 335.407 2.030 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)ncn1 ZINC001095323893 1200809424 /nfs/dbraw/zinc/80/94/24/1200809424.db2.gz BHSKPSQIIOQCOJ-AOIWGVFYSA-N 1 2 347.422 2.192 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)ncn1 ZINC001095323893 1200809432 /nfs/dbraw/zinc/80/94/32/1200809432.db2.gz BHSKPSQIIOQCOJ-AOIWGVFYSA-N 1 2 347.422 2.192 20 30 EEEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nc(-c3ccco3)no2)CCC1 ZINC001133392000 1200848003 /nfs/dbraw/zinc/84/80/03/1200848003.db2.gz BXAGTFIHXSJBBW-UHFFFAOYSA-N 1 2 330.388 2.282 20 30 EEEDLO C=C1CC(C)(C(=O)NCC[NH2+]Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC001133564557 1201053265 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/nfs/dbraw/zinc/03/79/02/1205037902.db2.gz MIZWUKNCLDQWNY-QGZVFWFLSA-N 1 2 336.794 2.385 20 30 EEEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1nccnc1Cl)CC2 ZINC001274445979 1205039202 /nfs/dbraw/zinc/03/92/02/1205039202.db2.gz ZBSVJTSUUALQKF-CYBMUJFWSA-N 1 2 347.850 2.152 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cn(C)nc2C(F)(F)F)C1=O ZINC001274480060 1205053008 /nfs/dbraw/zinc/05/30/08/1205053008.db2.gz JHZRWGRRLPJOGJ-HNNXBMFYSA-N 1 2 342.365 2.192 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cn(C)nc2C(F)(F)F)C1=O ZINC001274480060 1205053011 /nfs/dbraw/zinc/05/30/11/1205053011.db2.gz JHZRWGRRLPJOGJ-HNNXBMFYSA-N 1 2 342.365 2.192 20 30 EEEDLO CC(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(C#N)ccc2O)C1=O ZINC001274668396 1205125321 /nfs/dbraw/zinc/12/53/21/1205125321.db2.gz ZMBBHMRVTXWPQM-LJQANCHMSA-N 1 2 327.428 2.487 20 30 EEEDLO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3Cc2ccc[nH]2)c(C#N)c1 ZINC001275616708 1205446688 /nfs/dbraw/zinc/44/66/88/1205446688.db2.gz MPVPKLSAKYSEIJ-BGYRXZFFSA-N 1 2 336.439 2.280 20 30 EEEDLO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3Cc2ccc[nH]2)c(C#N)c1 ZINC001275616708 1205446690 /nfs/dbraw/zinc/44/66/90/1205446690.db2.gz MPVPKLSAKYSEIJ-BGYRXZFFSA-N 1 2 336.439 2.280 20 30 EEEDLO N#Cc1c(F)cccc1N1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001095438383 1205754062 /nfs/dbraw/zinc/75/40/62/1205754062.db2.gz MLGMNMZJHZUUBX-UHFFFAOYSA-N 1 2 341.390 2.069 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cnn3c1CCCC3)C2 ZINC001095566587 1205876393 /nfs/dbraw/zinc/87/63/93/1205876393.db2.gz XQXQQBWHUXBUDX-VYDXJSESSA-N 1 2 348.878 2.236 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cnn3c1CCCC3)C2 ZINC001095566587 1205876395 /nfs/dbraw/zinc/87/63/95/1205876395.db2.gz XQXQQBWHUXBUDX-VYDXJSESSA-N 1 2 348.878 2.236 20 30 EEEDLO Cc1cc(N(C)CCCNC(=O)c2cccc3[nH+]ccn32)c(C#N)cn1 ZINC001095679448 1205912478 /nfs/dbraw/zinc/91/24/78/1205912478.db2.gz HJLZZOTUOMZIOP-UHFFFAOYSA-N 1 2 348.410 2.166 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C)C1 ZINC001015213470 1224925499 /nfs/dbraw/zinc/92/54/99/1224925499.db2.gz KAWPHNUVLFQSAX-CVEARBPZSA-N 1 2 344.459 2.125 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC001110917069 1206234410 /nfs/dbraw/zinc/23/44/10/1206234410.db2.gz WMOKBLLSTAVRFP-DNVCBOLYSA-N 1 2 346.475 2.489 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccc(=O)[nH]c1)C2 ZINC001110942223 1206359029 /nfs/dbraw/zinc/35/90/29/1206359029.db2.gz BJZRDRIHPZMSEK-KFWWJZLASA-N 1 2 335.835 2.194 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccc(=O)[nH]c1)C2 ZINC001110942223 1206359031 /nfs/dbraw/zinc/35/90/31/1206359031.db2.gz BJZRDRIHPZMSEK-KFWWJZLASA-N 1 2 335.835 2.194 20 30 EEEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)C(C)C ZINC001110985338 1206545272 /nfs/dbraw/zinc/54/52/72/1206545272.db2.gz VYZJOSJTKIZRLG-YRXWBPOGSA-N 1 2 341.455 2.451 20 30 EEEDLO CO[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)C(C)C ZINC001110985338 1206545273 /nfs/dbraw/zinc/54/52/73/1206545273.db2.gz VYZJOSJTKIZRLG-YRXWBPOGSA-N 1 2 341.455 2.451 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC1(Nc2cc[nH+]c(C)n2)CCOCC1 ZINC001110996692 1206582396 /nfs/dbraw/zinc/58/23/96/1206582396.db2.gz BUBBSICQWULLKA-KGLIPLIRSA-N 1 2 332.448 2.321 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2OC)C1 ZINC000932635784 1207642492 /nfs/dbraw/zinc/64/24/92/1207642492.db2.gz MPKCAOUOFNTMKC-HIFRSBDPSA-N 1 2 332.400 2.073 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2OC)C1 ZINC000932635784 1207642495 /nfs/dbraw/zinc/64/24/95/1207642495.db2.gz MPKCAOUOFNTMKC-HIFRSBDPSA-N 1 2 332.400 2.073 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2OC)C1 ZINC000932635783 1207642884 /nfs/dbraw/zinc/64/28/84/1207642884.db2.gz MPKCAOUOFNTMKC-DZGCQCFKSA-N 1 2 332.400 2.073 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2OC)C1 ZINC000932635783 1207642885 /nfs/dbraw/zinc/64/28/85/1207642885.db2.gz MPKCAOUOFNTMKC-DZGCQCFKSA-N 1 2 332.400 2.073 20 30 EEEDLO CCn1c[nH+]c2c1CCN([C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C2 ZINC000933260604 1207749003 /nfs/dbraw/zinc/74/90/03/1207749003.db2.gz VCZFSMUUHWXGFK-LBPRGKRZSA-N 1 2 341.415 2.370 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C(C)C ZINC001111072873 1207944883 /nfs/dbraw/zinc/94/48/83/1207944883.db2.gz XVHWYONOSWVKOJ-VQHPVUNQSA-N 1 2 349.519 2.471 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C(C)C ZINC001111072873 1207944885 /nfs/dbraw/zinc/94/48/85/1207944885.db2.gz XVHWYONOSWVKOJ-VQHPVUNQSA-N 1 2 349.519 2.471 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2ncccn2)[C@@H](C)C1 ZINC000947391534 1208556642 /nfs/dbraw/zinc/55/66/42/1208556642.db2.gz MZOQLJGFKQFYPE-JKSUJKDBSA-N 1 2 339.443 2.247 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ncccn2)[C@@H](C)C1 ZINC000947391534 1208556644 /nfs/dbraw/zinc/55/66/44/1208556644.db2.gz MZOQLJGFKQFYPE-JKSUJKDBSA-N 1 2 339.443 2.247 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2cnoc2)C[C@H]1C ZINC000947644293 1208657936 /nfs/dbraw/zinc/65/79/36/1208657936.db2.gz YSGBBLSOXUHZCG-YPMHNXCESA-N 1 2 342.237 2.095 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2cnoc2)C[C@H]1C ZINC000947644293 1208657937 /nfs/dbraw/zinc/65/79/37/1208657937.db2.gz YSGBBLSOXUHZCG-YPMHNXCESA-N 1 2 342.237 2.095 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C[C@H]1C ZINC000947891868 1208764047 /nfs/dbraw/zinc/76/40/47/1208764047.db2.gz WRPGHIZOVJMLFK-RHSMWYFYSA-N 1 2 337.427 2.078 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C[C@H]1C ZINC000947891868 1208764049 /nfs/dbraw/zinc/76/40/49/1208764049.db2.gz WRPGHIZOVJMLFK-RHSMWYFYSA-N 1 2 337.427 2.078 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111275965 1209195358 /nfs/dbraw/zinc/19/53/58/1209195358.db2.gz WELGOGGQFVNNOG-BXWFABGCSA-N 1 2 346.475 2.447 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2CC)C1 ZINC000948588922 1209239031 /nfs/dbraw/zinc/23/90/31/1209239031.db2.gz BCAAUJMWTCGUHQ-GOEBONIOSA-N 1 2 344.459 2.052 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)nn1C ZINC000948893542 1209441658 /nfs/dbraw/zinc/44/16/58/1209441658.db2.gz AHMVZTAWKPCNPZ-IBGZPJMESA-N 1 2 336.439 2.081 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc(C)nn1C ZINC000948893542 1209441659 /nfs/dbraw/zinc/44/16/59/1209441659.db2.gz AHMVZTAWKPCNPZ-IBGZPJMESA-N 1 2 336.439 2.081 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1nccc(C)n1 ZINC000948910375 1209448054 /nfs/dbraw/zinc/44/80/54/1209448054.db2.gz PLBDBINAZJVAHS-GOSISDBHSA-N 1 2 334.423 2.138 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1nccc(C)n1 ZINC000948910375 1209448057 /nfs/dbraw/zinc/44/80/57/1209448057.db2.gz PLBDBINAZJVAHS-GOSISDBHSA-N 1 2 334.423 2.138 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCc2cccnc21 ZINC000948953369 1209472329 /nfs/dbraw/zinc/47/23/29/1209472329.db2.gz DWNBOSDJWKVRHR-WOJBJXKFSA-N 1 2 345.446 2.460 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCc2cccnc21 ZINC000948953369 1209472332 /nfs/dbraw/zinc/47/23/32/1209472332.db2.gz DWNBOSDJWKVRHR-WOJBJXKFSA-N 1 2 345.446 2.460 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC000948970296 1209480464 /nfs/dbraw/zinc/48/04/64/1209480464.db2.gz WNCGIAPWJBQDCA-ZCNNSNEGSA-N 1 2 338.451 2.316 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC000948970296 1209480465 /nfs/dbraw/zinc/48/04/65/1209480465.db2.gz WNCGIAPWJBQDCA-ZCNNSNEGSA-N 1 2 338.451 2.316 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCCCC3(F)F)CC2)C1 ZINC000949423677 1209679930 /nfs/dbraw/zinc/67/99/30/1209679930.db2.gz KJJBIGRDXLSAHS-OAHLLOKOSA-N 1 2 340.414 2.139 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCCC3(F)F)CC2)C1 ZINC000949423677 1209679932 /nfs/dbraw/zinc/67/99/32/1209679932.db2.gz KJJBIGRDXLSAHS-OAHLLOKOSA-N 1 2 340.414 2.139 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cccc4cnccc43)CC2)C1 ZINC000949526507 1209728688 /nfs/dbraw/zinc/72/86/88/1209728688.db2.gz XSQOZAVYPLFYIF-UHFFFAOYSA-N 1 2 349.434 2.175 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cccc4cnccc43)CC2)C1 ZINC000949526507 1209728689 /nfs/dbraw/zinc/72/86/89/1209728689.db2.gz XSQOZAVYPLFYIF-UHFFFAOYSA-N 1 2 349.434 2.175 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779434755 1210271985 /nfs/dbraw/zinc/27/19/85/1210271985.db2.gz OEIXIMDWUOJSCZ-CYBMUJFWSA-N 1 2 328.347 2.171 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cc(C2CC2)on1 ZINC001015432863 1225248573 /nfs/dbraw/zinc/24/85/73/1225248573.db2.gz XSUCVZQKFOWLIM-KRWDZBQOSA-N 1 2 335.407 2.408 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cc(C2CC2)on1 ZINC001015432863 1225248579 /nfs/dbraw/zinc/24/85/79/1225248579.db2.gz XSUCVZQKFOWLIM-KRWDZBQOSA-N 1 2 335.407 2.408 20 30 EEEDLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=NNC1=[NH+]C[C@H](C)N1 ZINC000779805900 1211034634 /nfs/dbraw/zinc/03/46/34/1211034634.db2.gz VOVVAYKENNBPKF-JTQLQIEISA-N 1 2 330.823 2.414 20 30 EEEDLO C#CCCCCC(=O)NC[C@@H]1[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]21 ZINC001114528296 1212452619 /nfs/dbraw/zinc/45/26/19/1212452619.db2.gz QHWHVAZDBCTUOI-NNZMDNLPSA-N 1 2 340.471 2.394 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)C3(C)CC3)CC2)C1 ZINC000956597501 1214120350 /nfs/dbraw/zinc/12/03/50/1214120350.db2.gz HBOXDMMFXRMFJQ-LPHOPBHVSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC(C)C)C2)CC1 ZINC000956600638 1214123183 /nfs/dbraw/zinc/12/31/83/1214123183.db2.gz FMWYMBCNALFGGT-QGZVFWFLSA-N 1 2 349.519 2.380 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000956608440 1214130013 /nfs/dbraw/zinc/13/00/13/1214130013.db2.gz UKEUHWYGKGMTQT-OXJNMPFZSA-N 1 2 349.519 2.380 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001015690067 1225554667 /nfs/dbraw/zinc/55/46/67/1225554667.db2.gz LSJJPYVEVNYMOI-DLBZAZTESA-N 1 2 349.438 2.092 20 30 EEEDLO 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COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)cc1F ZINC001038155017 1229669087 /nfs/dbraw/zinc/66/90/87/1229669087.db2.gz VOIJPASSDSHZHV-CQSZACIVSA-N 1 2 342.374 2.038 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2conc2C2CC2)c1 ZINC001038687986 1229976779 /nfs/dbraw/zinc/97/67/79/1229976779.db2.gz PQLFRKHXULKMJW-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2conc2C2CC2)c1 ZINC001038687986 1229976781 /nfs/dbraw/zinc/97/67/81/1229976781.db2.gz PQLFRKHXULKMJW-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO CC(C)n1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)cn1 ZINC001038912823 1230158490 /nfs/dbraw/zinc/15/84/90/1230158490.db2.gz LPWZKILTZBTBMB-GOSISDBHSA-N 1 2 337.427 2.340 20 30 EEEDLO CC(C)n1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)cn1 ZINC001038912823 1230158493 /nfs/dbraw/zinc/15/84/93/1230158493.db2.gz LPWZKILTZBTBMB-GOSISDBHSA-N 1 2 337.427 2.340 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ncc3n2CCCC3)cc1 ZINC001039032737 1230250670 /nfs/dbraw/zinc/25/06/70/1230250670.db2.gz MEQFSGKSINJJIV-KRWDZBQOSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ncc3n2CCCC3)cc1 ZINC001039032737 1230250671 /nfs/dbraw/zinc/25/06/71/1230250671.db2.gz MEQFSGKSINJJIV-KRWDZBQOSA-N 1 2 349.438 2.095 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CN1c1cccc(F)c1C#N ZINC001039767658 1230791555 /nfs/dbraw/zinc/79/15/55/1230791555.db2.gz PKVYCPMJJACSJB-STQMWFEESA-N 1 2 341.390 2.137 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001039975796 1230944523 /nfs/dbraw/zinc/94/45/23/1230944523.db2.gz MSWXOSXSNQOYTC-ZACQAIPSSA-N 1 2 344.459 2.193 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccnc2)nc1 ZINC001039976693 1230945055 /nfs/dbraw/zinc/94/50/55/1230945055.db2.gz LYQNEOKCXORORW-KDURUIRLSA-N 1 2 346.434 2.337 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccnc2)nc1 ZINC001039976693 1230945058 /nfs/dbraw/zinc/94/50/58/1230945058.db2.gz LYQNEOKCXORORW-KDURUIRLSA-N 1 2 346.434 2.337 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cn(C)nn1)C2 ZINC001040367787 1231189161 /nfs/dbraw/zinc/18/91/61/1231189161.db2.gz BKRBRKFMKPWDJH-OALUTQOASA-N 1 2 345.491 2.232 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cn(C)nn1)C2 ZINC001040367787 1231189162 /nfs/dbraw/zinc/18/91/62/1231189162.db2.gz BKRBRKFMKPWDJH-OALUTQOASA-N 1 2 345.491 2.232 20 30 EEEDLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)s1 ZINC001041274010 1231491384 /nfs/dbraw/zinc/49/13/84/1231491384.db2.gz SAMVOGUGPLSJGX-ACJLOTCBSA-N 1 2 344.484 2.245 20 30 EEEDLO Cc1nnc([C@@H](C)[N@H+]2CC[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)s1 ZINC001041274010 1231491387 /nfs/dbraw/zinc/49/13/87/1231491387.db2.gz SAMVOGUGPLSJGX-ACJLOTCBSA-N 1 2 344.484 2.245 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCCO[C@H](CNc3cc[nH+]c(C)n3)C2)C1 ZINC001041528566 1231582627 /nfs/dbraw/zinc/58/26/27/1231582627.db2.gz KKQLWWKNWONGMZ-OAHLLOKOSA-N 1 2 330.432 2.171 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CC[N@H+](Cc4cscn4)[C@H]3C2)c1 ZINC001041999866 1231819249 /nfs/dbraw/zinc/81/92/49/1231819249.db2.gz JGEMPNVKTLRCEW-BBRMVZONSA-N 1 2 341.440 2.079 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4cscn4)[C@H]3C2)c1 ZINC001041999866 1231819252 /nfs/dbraw/zinc/81/92/52/1231819252.db2.gz JGEMPNVKTLRCEW-BBRMVZONSA-N 1 2 341.440 2.079 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@H]2CC[N@H+](Cc3ncc(C4CC4)o3)[C@H]2C1 ZINC001042057798 1231859590 /nfs/dbraw/zinc/85/95/90/1231859590.db2.gz MWEBAGJTULLIBS-WBVHZDCISA-N 1 2 339.439 2.388 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@H]2C1 ZINC001042057798 1231859593 /nfs/dbraw/zinc/85/95/93/1231859593.db2.gz MWEBAGJTULLIBS-WBVHZDCISA-N 1 2 339.439 2.388 20 30 EEEDLO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3c(C)n[nH]c3C(F)(F)F)C[C@H]21 ZINC001042158004 1231926077 /nfs/dbraw/zinc/92/60/77/1231926077.db2.gz UZRPULTVPREMJN-VXGBXAGGSA-N 1 2 342.365 2.459 20 30 EEEDLO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(C)n[nH]c3C(F)(F)F)C[C@H]21 ZINC001042158004 1231926078 /nfs/dbraw/zinc/92/60/78/1231926078.db2.gz UZRPULTVPREMJN-VXGBXAGGSA-N 1 2 342.365 2.459 20 30 EEEDLO Cc1cccc(OCC[NH+]2CC(N(C)C(=O)c3cc(C#N)c[nH]3)C2)c1 ZINC001042589902 1232113826 /nfs/dbraw/zinc/11/38/26/1232113826.db2.gz PADXOXABSRCOFO-UHFFFAOYSA-N 1 2 338.411 2.030 20 30 EEEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2ccc3ncccc3c2)C1 ZINC001042590130 1232114152 /nfs/dbraw/zinc/11/41/52/1232114152.db2.gz VGLXGBVZIZJWDR-UHFFFAOYSA-N 1 2 345.406 2.391 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](Cc2cccc(CC)c2)C1 ZINC001043897036 1232618022 /nfs/dbraw/zinc/61/80/22/1232618022.db2.gz XDOHHBGJOOGSOF-MOPGFXCFSA-N 1 2 328.456 2.483 20 30 EEEDLO C#CCOc1ccc(C(=O)N(C)C2C[NH+](C[C@H]3CC[C@@H](C)O3)C2)cc1 ZINC001044020022 1232673530 /nfs/dbraw/zinc/67/35/30/1232673530.db2.gz KTCTUUWSISGJEZ-DNVCBOLYSA-N 1 2 342.439 2.022 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](Cc3cccc(N(C)C)c3)C2)cn1 ZINC001044206319 1232787861 /nfs/dbraw/zinc/78/78/61/1232787861.db2.gz ZKMPYVKWRMDQAP-UHFFFAOYSA-N 1 2 348.450 2.085 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@@H]2OCC)CC1 ZINC001045374930 1233702599 /nfs/dbraw/zinc/70/25/99/1233702599.db2.gz MPAMUDFZYGEOGN-OLZOCXBDSA-N 1 2 345.281 2.291 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1nnc(C)[nH]1 ZINC001045827092 1234041726 /nfs/dbraw/zinc/04/17/26/1234041726.db2.gz JEGHSMZSYWOSEM-YUELXQCFSA-N 1 2 331.464 2.452 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1nnc(C)[nH]1 ZINC001045827092 1234041730 /nfs/dbraw/zinc/04/17/30/1234041730.db2.gz JEGHSMZSYWOSEM-YUELXQCFSA-N 1 2 331.464 2.452 20 30 EEEDLO C=C(C)CCC(=O)NCCCN(c1[nH+]cnc2c1cnn2C)C1CC1 ZINC001096052806 1234110070 /nfs/dbraw/zinc/11/00/70/1234110070.db2.gz IGZVJCYKYCTSKL-UHFFFAOYSA-N 1 2 342.447 2.195 20 30 EEEDLO Cc1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(C#N)cc3F)C2)no1 ZINC001046124127 1234467830 /nfs/dbraw/zinc/46/78/30/1234467830.db2.gz XIOJURDNDFGCIW-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3F)C2)no1 ZINC001046124127 1234467832 /nfs/dbraw/zinc/46/78/32/1234467832.db2.gz XIOJURDNDFGCIW-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)C2=COCCC2)C1 ZINC001046185216 1234527531 /nfs/dbraw/zinc/52/75/31/1234527531.db2.gz ZXFAWRBQUBZTKF-CQSZACIVSA-N 1 2 329.238 2.170 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)C2=COCCC2)C1 ZINC001046185216 1234527532 /nfs/dbraw/zinc/52/75/32/1234527532.db2.gz ZXFAWRBQUBZTKF-CQSZACIVSA-N 1 2 329.238 2.170 20 30 EEEDLO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001046223770 1234571280 /nfs/dbraw/zinc/57/12/80/1234571280.db2.gz NPUNXPLIJGQMCN-KRWDZBQOSA-N 1 2 343.818 2.329 20 30 EEEDLO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001046223770 1234571283 /nfs/dbraw/zinc/57/12/83/1234571283.db2.gz NPUNXPLIJGQMCN-KRWDZBQOSA-N 1 2 343.818 2.329 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cc(OC)no3)C2)cc1 ZINC001046533958 1234916404 /nfs/dbraw/zinc/91/64/04/1234916404.db2.gz ZPYZIVVXBFVZNY-IBGZPJMESA-N 1 2 339.395 2.059 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](Cc3cc(OC)no3)C2)cc1 ZINC001046533958 1234916406 /nfs/dbraw/zinc/91/64/06/1234916406.db2.gz ZPYZIVVXBFVZNY-IBGZPJMESA-N 1 2 339.395 2.059 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2nc(C)ncc2Cl)C1 ZINC001046675556 1235063303 /nfs/dbraw/zinc/06/33/03/1235063303.db2.gz PVGPOBFQRRFBOF-AWEZNQCLSA-N 1 2 329.231 2.385 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2nc(C)ncc2Cl)C1 ZINC001046675556 1235063306 /nfs/dbraw/zinc/06/33/06/1235063306.db2.gz PVGPOBFQRRFBOF-AWEZNQCLSA-N 1 2 329.231 2.385 20 30 EEEDLO CCn1c[nH+]cc1/C=C\C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000901429419 1235785370 /nfs/dbraw/zinc/78/53/70/1235785370.db2.gz VMVLOYPTNBNBSC-YFHOEESVSA-N 1 2 333.413 2.049 20 30 EEEDLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CCOC1 ZINC001096243879 1236599174 /nfs/dbraw/zinc/59/91/74/1236599174.db2.gz DTSNDSYXFYEIDE-LXZJYRNTSA-N 1 2 339.439 2.206 20 30 EEEDLO C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CCOC1 ZINC001096243879 1236599182 /nfs/dbraw/zinc/59/91/82/1236599182.db2.gz DTSNDSYXFYEIDE-LXZJYRNTSA-N 1 2 339.439 2.206 20 30 EEEDLO CCCCCC(=O)NCC[NH+]1CCN(c2ccc(C#N)c(C)n2)CC1 ZINC001096265442 1236825597 /nfs/dbraw/zinc/82/55/97/1236825597.db2.gz BSBZGLDUIRGWOP-UHFFFAOYSA-N 1 2 343.475 2.080 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCc2cc(C(F)(F)F)nn2C)cc1 ZINC000902698526 1238254495 /nfs/dbraw/zinc/25/44/95/1238254495.db2.gz XRKAOQKYQMRRDS-UHFFFAOYSA-N 1 2 328.294 2.285 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056409627 1239335789 /nfs/dbraw/zinc/33/57/89/1239335789.db2.gz XABOKDVROCOVCZ-GJZGRUSLSA-N 1 2 344.459 2.146 20 30 EEEDLO Cc1nc(C[N@H+]2CC=C(CNC(=O)c3c[nH]c(C#N)c3)CC2)cs1 ZINC001000600255 1240573466 /nfs/dbraw/zinc/57/34/66/1240573466.db2.gz SDTAPMSJTCOLMC-UHFFFAOYSA-N 1 2 341.440 2.213 20 30 EEEDLO Cc1nc(C[N@@H+]2CC=C(CNC(=O)c3c[nH]c(C#N)c3)CC2)cs1 ZINC001000600255 1240573473 /nfs/dbraw/zinc/57/34/73/1240573473.db2.gz SDTAPMSJTCOLMC-UHFFFAOYSA-N 1 2 341.440 2.213 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1nc2c(o1)CCCC2 ZINC001049371282 1240705181 /nfs/dbraw/zinc/70/51/81/1240705181.db2.gz FGTWAMWQWWRCOI-KBMXLJTQSA-N 1 2 342.443 2.278 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1nc2c(o1)CCCC2 ZINC001049371282 1240705188 /nfs/dbraw/zinc/70/51/88/1240705188.db2.gz FGTWAMWQWWRCOI-KBMXLJTQSA-N 1 2 342.443 2.278 20 30 EEEDLO COCc1nc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H](C)C#N)cs1 ZINC001049384012 1240745092 /nfs/dbraw/zinc/74/50/92/1240745092.db2.gz ULUCLLOAPCJBMO-AEGPPILISA-N 1 2 348.472 2.014 20 30 EEEDLO COCc1nc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H](C)C#N)cs1 ZINC001049384012 1240745101 /nfs/dbraw/zinc/74/51/01/1240745101.db2.gz ULUCLLOAPCJBMO-AEGPPILISA-N 1 2 348.472 2.014 20 30 EEEDLO Cc1cc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)no1 ZINC001049402977 1240796828 /nfs/dbraw/zinc/79/68/28/1240796828.db2.gz VLIVOQDSZKSBGD-SJORKVTESA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1cc(C[N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)no1 ZINC001049402977 1240796834 /nfs/dbraw/zinc/79/68/34/1240796834.db2.gz VLIVOQDSZKSBGD-SJORKVTESA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)co1 ZINC001049424957 1240874767 /nfs/dbraw/zinc/87/47/67/1240874767.db2.gz IVDDOFZOOYZYBD-DLBZAZTESA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)co1 ZINC001049424957 1240874778 /nfs/dbraw/zinc/87/47/78/1240874778.db2.gz IVDDOFZOOYZYBD-DLBZAZTESA-N 1 2 339.399 2.062 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001067881548 1249868209 /nfs/dbraw/zinc/86/82/09/1249868209.db2.gz CDXPJLJDBWXZTH-OAHLLOKOSA-N 1 2 334.464 2.170 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(=O)Nc1ccccc1 ZINC001049566616 1241443809 /nfs/dbraw/zinc/44/38/09/1241443809.db2.gz DJZGDZSEPTYBDG-HZPDHXFCSA-N 1 2 347.846 2.443 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(=O)Nc1ccccc1 ZINC001049566616 1241443815 /nfs/dbraw/zinc/44/38/15/1241443815.db2.gz DJZGDZSEPTYBDG-HZPDHXFCSA-N 1 2 347.846 2.443 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001073468335 1242526408 /nfs/dbraw/zinc/52/64/08/1242526408.db2.gz BKCJOMRIEDLSGL-GDBMZVCRSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001067925172 1249987320 /nfs/dbraw/zinc/98/73/20/1249987320.db2.gz RGGOVQIEBFMLAC-MRXNPFEDSA-N 1 2 348.491 2.262 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2C[N@H+](Cc3nc4c(o3)CCCC4)C[C@H]21 ZINC001049997194 1242997653 /nfs/dbraw/zinc/99/76/53/1242997653.db2.gz MNQUZBRRBCYSPH-IJEWVQPXSA-N 1 2 342.443 2.136 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](Cc3nc4c(o3)CCCC4)C[C@H]21 ZINC001049997194 1242997656 /nfs/dbraw/zinc/99/76/56/1242997656.db2.gz MNQUZBRRBCYSPH-IJEWVQPXSA-N 1 2 342.443 2.136 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCOCC1)C2 ZINC001096718125 1243155728 /nfs/dbraw/zinc/15/57/28/1243155728.db2.gz PVVHBARUYHVSQS-QRVBRYPASA-N 1 2 339.439 2.206 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCOCC1)C2 ZINC001096718125 1243155733 /nfs/dbraw/zinc/15/57/33/1243155733.db2.gz PVVHBARUYHVSQS-QRVBRYPASA-N 1 2 339.439 2.206 20 30 EEEDLO CC(C)c1cc(NCCN(CCO)C(=O)[C@H](C)C#N)nc(C(C)C)[nH+]1 ZINC001111435917 1243158557 /nfs/dbraw/zinc/15/85/57/1243158557.db2.gz JQULJGPFZRLPCC-CQSZACIVSA-N 1 2 347.463 2.116 20 30 EEEDLO Cc1nsc(NC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)c1C#N ZINC001057322482 1243265658 /nfs/dbraw/zinc/26/56/58/1243265658.db2.gz ATVKDEJOYUYDRI-UHFFFAOYSA-N 1 2 344.444 2.082 20 30 EEEDLO N#Cc1c(F)cccc1N[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001096837707 1243348551 /nfs/dbraw/zinc/34/85/51/1243348551.db2.gz UBJYRTZHVIAUFU-KRWDZBQOSA-N 1 2 341.390 2.360 20 30 EEEDLO N#Cc1c(F)cccc1N[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001096837707 1243348557 /nfs/dbraw/zinc/34/85/57/1243348557.db2.gz UBJYRTZHVIAUFU-KRWDZBQOSA-N 1 2 341.390 2.360 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001096933044 1243478045 /nfs/dbraw/zinc/47/80/45/1243478045.db2.gz XOPBOCLKDJSBIV-IFXJQAMLSA-N 1 2 344.459 2.004 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H](Nc3nc(N(C)C)nc(C)[nH+]3)C2)CCC1 ZINC001096973044 1243509653 /nfs/dbraw/zinc/50/96/53/1243509653.db2.gz GDPYJFUHCFOOML-AWEZNQCLSA-N 1 2 344.463 2.005 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H](Nc3cc[nH+]c(C)n3)C2)CCOCC1 ZINC001097051595 1243627835 /nfs/dbraw/zinc/62/78/35/1243627835.db2.gz ZEFGNEUFYCEJTQ-SHTZXODSSA-N 1 2 330.432 2.217 20 30 EEEDLO C#CCCCCCC(=O)N[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001097088890 1243687729 /nfs/dbraw/zinc/68/77/29/1243687729.db2.gz VJHASKJHMMVHSS-HDJSIYSDSA-N 1 2 340.431 2.006 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001097098045 1243691903 /nfs/dbraw/zinc/69/19/03/1243691903.db2.gz FBKPIGYCERNZKN-PJIJBLCYSA-N 1 2 343.475 2.126 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001097098045 1243691906 /nfs/dbraw/zinc/69/19/06/1243691906.db2.gz FBKPIGYCERNZKN-PJIJBLCYSA-N 1 2 343.475 2.126 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC(CNc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001057529786 1244137585 /nfs/dbraw/zinc/13/75/85/1244137585.db2.gz SWUHYAUNEAJXGR-UHFFFAOYSA-N 1 2 346.479 2.109 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H](C)[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097519196 1244296848 /nfs/dbraw/zinc/29/68/48/1244296848.db2.gz SCNYBEKAUSHRJY-DOTOQJQBSA-N 1 2 346.475 2.489 20 30 EEEDLO N#Cc1c(F)cccc1N[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001057629532 1244486251 /nfs/dbraw/zinc/48/62/51/1244486251.db2.gz CEGZPIAXSPLRAO-CYBMUJFWSA-N 1 2 341.390 2.456 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]([C@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001050887369 1244554928 /nfs/dbraw/zinc/55/49/28/1244554928.db2.gz ZDDKZEQSKAHILG-HOTGVXAUSA-N 1 2 346.475 2.062 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnn(C2CCC2)c1 ZINC001050913358 1244608897 /nfs/dbraw/zinc/60/88/97/1244608897.db2.gz PIOINWNWOOYPAI-KRWDZBQOSA-N 1 2 332.448 2.005 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnn(C2CCC2)c1 ZINC001050913358 1244608911 /nfs/dbraw/zinc/60/89/11/1244608911.db2.gz PIOINWNWOOYPAI-KRWDZBQOSA-N 1 2 332.448 2.005 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnn1[C@H](C)CC ZINC001050939803 1244671570 /nfs/dbraw/zinc/67/15/70/1244671570.db2.gz KBBDFLLCHAVFMH-HZPDHXFCSA-N 1 2 334.464 2.251 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnn1[C@H](C)CC ZINC001050939803 1244671579 /nfs/dbraw/zinc/67/15/79/1244671579.db2.gz KBBDFLLCHAVFMH-HZPDHXFCSA-N 1 2 334.464 2.251 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(-c2ccncc2)o1 ZINC001050951163 1244705429 /nfs/dbraw/zinc/70/54/29/1244705429.db2.gz DUBXSBSROXGCKM-INIZCTEOSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(-c2ccncc2)o1 ZINC001050951163 1244705437 /nfs/dbraw/zinc/70/54/37/1244705437.db2.gz DUBXSBSROXGCKM-INIZCTEOSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc([C@H]2CCOC2)c1 ZINC001050988532 1244791329 /nfs/dbraw/zinc/79/13/29/1244791329.db2.gz GNCSPIIRIVXWQW-RBUKOAKNSA-N 1 2 344.455 2.197 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc([C@H]2CCOC2)c1 ZINC001050988532 1244791335 /nfs/dbraw/zinc/79/13/35/1244791335.db2.gz GNCSPIIRIVXWQW-RBUKOAKNSA-N 1 2 344.455 2.197 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)n([C@H](C)CC)n1 ZINC001050995906 1244815481 /nfs/dbraw/zinc/81/54/81/1244815481.db2.gz JCGCPUXAAMTHLD-ZBFHGGJFSA-N 1 2 334.464 2.169 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)n([C@H](C)CC)n1 ZINC001050995906 1244815487 /nfs/dbraw/zinc/81/54/87/1244815487.db2.gz JCGCPUXAAMTHLD-ZBFHGGJFSA-N 1 2 334.464 2.169 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn2ccc(C)cc2n1 ZINC001051008386 1244838498 /nfs/dbraw/zinc/83/84/98/1244838498.db2.gz WBFVXDIRYGREGT-MRXNPFEDSA-N 1 2 342.443 2.040 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cn2ccc(C)cc2n1 ZINC001051008386 1244838512 /nfs/dbraw/zinc/83/85/12/1244838512.db2.gz WBFVXDIRYGREGT-MRXNPFEDSA-N 1 2 342.443 2.040 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(-c2cccs2)on1 ZINC001051052351 1244913314 /nfs/dbraw/zinc/91/33/14/1244913314.db2.gz RAAVSDNYUUJIMJ-ZDUSSCGKSA-N 1 2 347.440 2.410 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(-c2cccs2)on1 ZINC001051052351 1244913320 /nfs/dbraw/zinc/91/33/20/1244913320.db2.gz RAAVSDNYUUJIMJ-ZDUSSCGKSA-N 1 2 347.440 2.410 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccn(C(CC)CC)n1 ZINC001051144349 1245042722 /nfs/dbraw/zinc/04/27/22/1245042722.db2.gz CDAQAWTYNZNHJG-INIZCTEOSA-N 1 2 334.464 2.251 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccn(C(CC)CC)n1 ZINC001051144349 1245042728 /nfs/dbraw/zinc/04/27/28/1245042728.db2.gz CDAQAWTYNZNHJG-INIZCTEOSA-N 1 2 334.464 2.251 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1c(C)nn(CCC)c1C ZINC001051197642 1245375618 /nfs/dbraw/zinc/37/56/18/1245375618.db2.gz NNYLOFGZFROLDM-QGZVFWFLSA-N 1 2 348.491 2.307 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(C)nn(CCC)c1C ZINC001051197642 1245375624 /nfs/dbraw/zinc/37/56/24/1245375624.db2.gz NNYLOFGZFROLDM-QGZVFWFLSA-N 1 2 348.491 2.307 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(O[C@@H](C)CC)c1 ZINC001051197166 1245375933 /nfs/dbraw/zinc/37/59/33/1245375933.db2.gz KFRWQQOUBRDNJY-RDJZCZTQSA-N 1 2 347.459 2.266 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(O[C@@H](C)CC)c1 ZINC001051197166 1245375938 /nfs/dbraw/zinc/37/59/38/1245375938.db2.gz KFRWQQOUBRDNJY-RDJZCZTQSA-N 1 2 347.459 2.266 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001051270482 1245462012 /nfs/dbraw/zinc/46/20/12/1245462012.db2.gz PIAIBANEJDXJFB-ROUUACIJSA-N 1 2 344.455 2.082 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1Cc2cccc(C)c2O1 ZINC001051270482 1245462015 /nfs/dbraw/zinc/46/20/15/1245462015.db2.gz PIAIBANEJDXJFB-ROUUACIJSA-N 1 2 344.455 2.082 20 30 EEEDLO CCCN(CCNC(=O)Cc1[nH]c[nH+]c1C)c1cccc(F)c1C#N ZINC001101164310 1245471096 /nfs/dbraw/zinc/47/10/96/1245471096.db2.gz ARYUXWQAJCZAAD-UHFFFAOYSA-N 1 2 343.406 2.304 20 30 EEEDLO CCCC(=O)N[C@H]1CC2(C[NH+](Cc3ccc(C#N)cc3)C2)n2ccnc21 ZINC001101602986 1246016003 /nfs/dbraw/zinc/01/60/03/1246016003.db2.gz VNVDPPDRNZJCSQ-KRWDZBQOSA-N 1 2 349.438 2.327 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H](C)C(C)C)c1nccn12 ZINC001101615353 1246038496 /nfs/dbraw/zinc/03/84/96/1246038496.db2.gz HXRVOMKWYPHUHL-HZPDHXFCSA-N 1 2 328.460 2.161 20 30 EEEDLO Cc1cccc(C)c1C[NH+]1CC2(C1)CN(C(=O)C#CC1CC1)CCO2 ZINC001053249721 1246094959 /nfs/dbraw/zinc/09/49/59/1246094959.db2.gz AKZHPPRJBAJNFW-UHFFFAOYSA-N 1 2 338.451 2.130 20 30 EEEDLO C=C1CCC(C(=O)N2CCO[C@H](C[NH2+][C@@H](C)c3nc(C)no3)C2)CC1 ZINC001051804355 1246127473 /nfs/dbraw/zinc/12/74/73/1246127473.db2.gz ZEMIOQDCHHOZTR-XJKSGUPXSA-N 1 2 348.447 2.002 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccnc1C1CC1)CCO2 ZINC001053329281 1246190309 /nfs/dbraw/zinc/19/03/09/1246190309.db2.gz TVXNSQBLPWUUES-UHFFFAOYSA-N 1 2 327.428 2.062 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](CNC(=O)C(=O)C(C)(C)C)[C@H](C)C1 ZINC001101824678 1246213362 /nfs/dbraw/zinc/21/33/62/1246213362.db2.gz AECWUXQYYWKPJK-ZYHUDNBSSA-N 1 2 345.281 2.194 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](CNC(=O)C(=O)C(C)(C)C)[C@H](C)C1 ZINC001101824678 1246213371 /nfs/dbraw/zinc/21/33/71/1246213371.db2.gz AECWUXQYYWKPJK-ZYHUDNBSSA-N 1 2 345.281 2.194 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CCNc3cc[nH+]c(C)n3)C2)nc1 ZINC001053409681 1246298803 /nfs/dbraw/zinc/29/88/03/1246298803.db2.gz LCXUROLFHVKKTR-RHSMWYFYSA-N 1 2 349.438 2.372 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)/C=C/c3ccco3)C2)CC1 ZINC001051969580 1246323968 /nfs/dbraw/zinc/32/39/68/1246323968.db2.gz LWJBEYXFLIFBQK-DWTRPJMMSA-N 1 2 349.862 2.264 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3C=CCC3)C2)CC1 ZINC001051978488 1246336062 /nfs/dbraw/zinc/33/60/62/1246336062.db2.gz UFGYYXRFTLTBJJ-SJORKVTESA-N 1 2 337.895 2.314 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)C(CC)CC)C2)CC1 ZINC001051985496 1246343419 /nfs/dbraw/zinc/34/34/19/1246343419.db2.gz YLJYNEWWVFULMJ-INIZCTEOSA-N 1 2 327.900 2.394 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)n1c(C)ccc1C)CCO2 ZINC001053541935 1246452571 /nfs/dbraw/zinc/45/25/71/1246452571.db2.gz GLOGLMCOVKXMSG-QGZVFWFLSA-N 1 2 331.460 2.155 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)COC1CCC(C)CC1)CCO2 ZINC001053548788 1246462235 /nfs/dbraw/zinc/46/22/35/1246462235.db2.gz YCHYFFAPDKALBJ-UHFFFAOYSA-N 1 2 336.476 2.071 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](CC)CC3CCCC3)C2)CC1 ZINC001052092978 1246472382 /nfs/dbraw/zinc/47/23/82/1246472382.db2.gz ITXAGSDABHNYFD-PMACEKPBSA-N 1 2 345.531 2.445 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3csc(Cl)c3)C2)CC1 ZINC001052094385 1246473741 /nfs/dbraw/zinc/47/37/41/1246473741.db2.gz RWUGWUDJPMMKHY-CQSZACIVSA-N 1 2 339.892 2.420 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)C3CCCC3)C2)CC1 ZINC001052106922 1246485741 /nfs/dbraw/zinc/48/57/41/1246485741.db2.gz WWIMPQTYWSDOQQ-IEBWSBKVSA-N 1 2 331.504 2.055 20 30 EEEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)c3ccccc3)C2)CC1 ZINC001052108772 1246488573 /nfs/dbraw/zinc/48/85/73/1246488573.db2.gz QWQYYFJKGYENKE-ICSRJNTNSA-N 1 2 339.483 2.032 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(C(F)F)c3)C2)CC1 ZINC001052110654 1246491218 /nfs/dbraw/zinc/49/12/18/1246491218.db2.gz VMXJTPINEHKZIH-KRWDZBQOSA-N 1 2 347.409 2.090 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc4ccccc4c3)C2)CC1 ZINC001052113463 1246495163 /nfs/dbraw/zinc/49/51/63/1246495163.db2.gz VNRXRZLIFNMLOH-OAQYLSRUSA-N 1 2 347.462 2.305 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC001052123470 1246509328 /nfs/dbraw/zinc/50/93/28/1246509328.db2.gz JFEQBFMWUGMMRN-RTBURBONSA-N 1 2 345.531 2.445 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc3cc[nH]c3n1)O2 ZINC001053613904 1246535118 /nfs/dbraw/zinc/53/51/18/1246535118.db2.gz CIMARRLGYYVMDU-OAHLLOKOSA-N 1 2 340.427 2.102 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(-c3ccco3)on1)O2 ZINC001053635518 1246567900 /nfs/dbraw/zinc/56/79/00/1246567900.db2.gz FZQDDYUCCKFCCG-CYBMUJFWSA-N 1 2 343.383 2.084 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C3CCCC3)no1)O2 ZINC001053695990 1246669473 /nfs/dbraw/zinc/66/94/73/1246669473.db2.gz XCFLEOYQWODICG-HNNXBMFYSA-N 1 2 345.443 2.481 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1COc3ccccc31)O2 ZINC001053702806 1246681364 /nfs/dbraw/zinc/68/13/64/1246681364.db2.gz CQDFZFZXUUFIMP-NVXWUHKLSA-N 1 2 342.439 2.088 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccnc1OC(C)C)O2 ZINC001053707960 1246687275 /nfs/dbraw/zinc/68/72/75/1246687275.db2.gz SMUUIBDSLLKCMF-HNNXBMFYSA-N 1 2 345.443 2.018 20 30 EEEDLO Fc1ccc(Cn2cc(C=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)cn2)cc1 ZINC000780237494 1246981772 /nfs/dbraw/zinc/98/17/72/1246981772.db2.gz QWBCWBZCCJOFPL-CALCHBBNSA-N 1 2 340.406 2.264 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc[nH]c1C1CCC1)CO2 ZINC001053924361 1247020989 /nfs/dbraw/zinc/02/09/89/1247020989.db2.gz RHUIHFQBKANLTQ-HNNXBMFYSA-N 1 2 329.444 2.431 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@]1(C)CC[C@H](C)C1(C)C)CO2 ZINC001053946100 1247049421 /nfs/dbraw/zinc/04/94/21/1247049421.db2.gz NURRIQGUKKAWIK-FCEWJHQRSA-N 1 2 332.488 2.432 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1scnc1C1CC1)CO2 ZINC001053950104 1247057043 /nfs/dbraw/zinc/05/70/43/1247057043.db2.gz UVTIFWHVMLTATM-ZDUSSCGKSA-N 1 2 333.457 2.170 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc3[nH]c(C)nc31)CO2 ZINC001053973760 1247090460 /nfs/dbraw/zinc/09/04/60/1247090460.db2.gz WDLMOHDFQKPNBS-CQSZACIVSA-N 1 2 340.427 2.021 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3c(c1)CCCC3)CO2 ZINC001053999562 1247131193 /nfs/dbraw/zinc/13/11/93/1247131193.db2.gz INQXLMPRIRXLCU-IBGZPJMESA-N 1 2 338.451 2.162 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(CC)c(C)s1)CO2 ZINC001054002947 1247135117 /nfs/dbraw/zinc/13/51/17/1247135117.db2.gz MDMXHDGTMNSMKY-OAHLLOKOSA-N 1 2 332.469 2.215 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cn(C)nc1C1CC1 ZINC001054042607 1247207947 /nfs/dbraw/zinc/20/79/47/1247207947.db2.gz DBLPHDWAZXXXRS-GOSISDBHSA-N 1 2 348.450 2.087 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cn(C)nc1C1CC1 ZINC001054042607 1247207958 /nfs/dbraw/zinc/20/79/58/1247207958.db2.gz DBLPHDWAZXXXRS-GOSISDBHSA-N 1 2 348.450 2.087 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnc2n1CCCC2 ZINC001054049705 1247234762 /nfs/dbraw/zinc/23/47/62/1247234762.db2.gz FUWBDBKAPMHXEN-GOSISDBHSA-N 1 2 348.450 2.009 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnc2n1CCCC2 ZINC001054049705 1247234769 /nfs/dbraw/zinc/23/47/69/1247234769.db2.gz FUWBDBKAPMHXEN-GOSISDBHSA-N 1 2 348.450 2.009 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@]2(CC[N@H+](Cc3ncc(Cl)n3C)C2)C1 ZINC001054101673 1247408976 /nfs/dbraw/zinc/40/89/76/1247408976.db2.gz CDXXHOBNGPNNBD-CXAGYDPISA-N 1 2 349.866 2.048 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3ncc(Cl)n3C)C2)C1 ZINC001054101673 1247408977 /nfs/dbraw/zinc/40/89/77/1247408977.db2.gz CDXXHOBNGPNNBD-CXAGYDPISA-N 1 2 349.866 2.048 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCc4n[nH]cc43)cc2C1 ZINC001054265334 1247935380 /nfs/dbraw/zinc/93/53/80/1247935380.db2.gz KLIJOCSPSINNDO-KRWDZBQOSA-N 1 2 334.423 2.095 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCc4n[nH]cc43)cc2C1 ZINC001054265334 1247935395 /nfs/dbraw/zinc/93/53/95/1247935395.db2.gz KLIJOCSPSINNDO-KRWDZBQOSA-N 1 2 334.423 2.095 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCO[C@H](CC)C3)cc2C1 ZINC001054289093 1248021056 /nfs/dbraw/zinc/02/10/56/1248021056.db2.gz UZJLNMNSKDJBDT-VQIMIIECSA-N 1 2 326.440 2.457 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCO[C@H](CC)C3)cc2C1 ZINC001054289093 1248021072 /nfs/dbraw/zinc/02/10/72/1248021072.db2.gz UZJLNMNSKDJBDT-VQIMIIECSA-N 1 2 326.440 2.457 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)Nc3ccc(C#N)c(C)n3)ccn12 ZINC001098071426 1251330262 /nfs/dbraw/zinc/33/02/62/1251330262.db2.gz WZCXXMPBQALMMK-GFCCVEGCSA-N 1 2 348.410 2.448 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1C[C@H](Nc2cc[nH+]c(C)n2)C[C@@H]1C ZINC001069128906 1252309904 /nfs/dbraw/zinc/30/99/04/1252309904.db2.gz ASUBOZPDVVFFHI-KBXCAEBGSA-N 1 2 334.423 2.410 20 30 EEEDLO C[C@H]1C[C@@H](Nc2ncccc2C#N)CN1C(=O)c1cccc2[nH+]ccn21 ZINC001069173821 1252403645 /nfs/dbraw/zinc/40/36/45/1252403645.db2.gz WWYNNCQONUMSOG-DZGCQCFKSA-N 1 2 346.394 2.316 20 30 EEEDLO C=CCn1cccc1C(=O)N1C[C@@H](Nc2cc[nH+]c(C)n2)C[C@H]1C ZINC001069220983 1252504360 /nfs/dbraw/zinc/50/43/60/1252504360.db2.gz HMSYGWSMVWJQEB-HIFRSBDPSA-N 1 2 325.416 2.488 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H]2C[C@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)n1 ZINC001069221441 1252506396 /nfs/dbraw/zinc/50/63/96/1252506396.db2.gz OIIHEDVOUFTEHZ-XJKSGUPXSA-N 1 2 338.415 2.019 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H]2C[C@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)n1 ZINC001069221441 1252506400 /nfs/dbraw/zinc/50/64/00/1252506400.db2.gz OIIHEDVOUFTEHZ-XJKSGUPXSA-N 1 2 338.415 2.019 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC(CC)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001069395387 1252836255 /nfs/dbraw/zinc/83/62/55/1252836255.db2.gz KUYHQOBLQDMBDM-UHFFFAOYSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1[nH]ccc1C)C[C@H](C)O2 ZINC001071164751 1254023172 /nfs/dbraw/zinc/02/31/72/1254023172.db2.gz RZPOWHSBIAIIOO-WMLDXEAASA-N 1 2 337.851 2.381 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1[nH]ccc1C)C[C@H](C)O2 ZINC001071164751 1254023176 /nfs/dbraw/zinc/02/31/76/1254023176.db2.gz RZPOWHSBIAIIOO-WMLDXEAASA-N 1 2 337.851 2.381 20 30 EEEDLO C#CCC[N@H+]1C[C@@H](NC(=O)c2c[nH]c3ccccc3c2=O)CC[C@H]1C ZINC001071637967 1254448522 /nfs/dbraw/zinc/44/85/22/1254448522.db2.gz BCZOEHJRZKQWPV-CABCVRRESA-N 1 2 337.423 2.134 20 30 EEEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c3ccccc3c2=O)CC[C@H]1C ZINC001071637967 1254448526 /nfs/dbraw/zinc/44/85/26/1254448526.db2.gz BCZOEHJRZKQWPV-CABCVRRESA-N 1 2 337.423 2.134 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2cccnn2)C[N@@H+]1Cc1ccccc1C#N ZINC001071928021 1254804641 /nfs/dbraw/zinc/80/46/41/1254804641.db2.gz WTDNIBUHDHCRFO-WMLDXEAASA-N 1 2 335.411 2.131 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)c2cccnn2)C[N@H+]1Cc1ccccc1C#N ZINC001071928021 1254804660 /nfs/dbraw/zinc/80/46/60/1254804660.db2.gz WTDNIBUHDHCRFO-WMLDXEAASA-N 1 2 335.411 2.131 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC001072222754 1255019047 /nfs/dbraw/zinc/01/90/47/1255019047.db2.gz OUQJEVMGWLBQPD-GJZGRUSLSA-N 1 2 340.427 2.267 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NC1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001073102798 1255683139 /nfs/dbraw/zinc/68/31/39/1255683139.db2.gz FGFQTTYYRNECEO-LSDHHAIUSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NC1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001073102798 1255683150 /nfs/dbraw/zinc/68/31/50/1255683150.db2.gz FGFQTTYYRNECEO-LSDHHAIUSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC(C)(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001073200280 1255778182 /nfs/dbraw/zinc/77/81/82/1255778182.db2.gz AEMCNHABPWROOD-KBPBESRZSA-N 1 2 346.475 2.216 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3(C4CCC4)CCC3)C[C@H]21 ZINC001074305813 1256899691 /nfs/dbraw/zinc/89/96/91/1256899691.db2.gz YEXDMQKKKQCQSF-MSOLQXFVSA-N 1 2 330.472 2.282 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3(C4CCC4)CCC3)C[C@H]21 ZINC001074305813 1256899708 /nfs/dbraw/zinc/89/97/08/1256899708.db2.gz YEXDMQKKKQCQSF-MSOLQXFVSA-N 1 2 330.472 2.282 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc4nc[nH]c43)C[C@@H]21 ZINC001074368942 1256947600 /nfs/dbraw/zinc/94/76/00/1256947600.db2.gz NSNZUXMDSSBWQM-DLBZAZTESA-N 1 2 340.427 2.054 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc4nc[nH]c43)C[C@@H]21 ZINC001074368942 1256947605 /nfs/dbraw/zinc/94/76/05/1256947605.db2.gz NSNZUXMDSSBWQM-DLBZAZTESA-N 1 2 340.427 2.054 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccoc3C(C)C)C[C@H]21 ZINC001074413225 1256998972 /nfs/dbraw/zinc/99/89/72/1256998972.db2.gz PWYZHTOEZKWDFS-SJORKVTESA-N 1 2 330.428 2.342 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccoc3C(C)C)C[C@H]21 ZINC001074413225 1256998975 /nfs/dbraw/zinc/99/89/75/1256998975.db2.gz PWYZHTOEZKWDFS-SJORKVTESA-N 1 2 330.428 2.342 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001075139777 1257421455 /nfs/dbraw/zinc/42/14/55/1257421455.db2.gz PBQOOYMIQZZVHM-HZPDHXFCSA-N 1 2 332.448 2.125 20 30 EEEDLO C=CCOCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1coc(C)n1 ZINC001098966240 1257890951 /nfs/dbraw/zinc/89/09/51/1257890951.db2.gz IPNHAXSUAPTEOH-INIZCTEOSA-N 1 2 335.448 2.292 20 30 EEEDLO C=CCOCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1coc(C)n1 ZINC001098966240 1257890962 /nfs/dbraw/zinc/89/09/62/1257890962.db2.gz IPNHAXSUAPTEOH-INIZCTEOSA-N 1 2 335.448 2.292 20 30 EEEDLO C=CCOCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1nocc1C ZINC001098970834 1257895643 /nfs/dbraw/zinc/89/56/43/1257895643.db2.gz IIEMNFKSKLWZKQ-HNNXBMFYSA-N 1 2 335.448 2.292 20 30 EEEDLO C=CCOCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1nocc1C ZINC001098970834 1257895651 /nfs/dbraw/zinc/89/56/51/1257895651.db2.gz IIEMNFKSKLWZKQ-HNNXBMFYSA-N 1 2 335.448 2.292 20 30 EEEDLO CC(C)=C(F)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1O ZINC001099780673 1258358413 /nfs/dbraw/zinc/35/84/13/1258358413.db2.gz LBHOZFYNLVSPCQ-JKSUJKDBSA-N 1 2 349.381 2.012 20 30 EEEDLO CC(C)=C(F)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1O ZINC001099780673 1258358423 /nfs/dbraw/zinc/35/84/23/1258358423.db2.gz LBHOZFYNLVSPCQ-JKSUJKDBSA-N 1 2 349.381 2.012 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CCCN1c1[nH+]cnc2c1cnn2C ZINC001100873627 1259376375 /nfs/dbraw/zinc/37/63/75/1259376375.db2.gz KEWIHDFWTFVXBN-ZDUSSCGKSA-N 1 2 342.447 2.051 20 30 EEEDLO C#CCCCC(=O)N1CCC[C@@H](n2cc(C[NH2+]C[C@@H](F)CC)nn2)C1 ZINC001185933530 1278873110 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345.281 2.409 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)s2)C1 ZINC001189242725 1280197025 /nfs/dbraw/zinc/19/70/25/1280197025.db2.gz KQVAAXZJFNJNIF-LSDHHAIUSA-N 1 2 337.489 2.465 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)s2)C1 ZINC001189242725 1280197035 /nfs/dbraw/zinc/19/70/35/1280197035.db2.gz KQVAAXZJFNJNIF-LSDHHAIUSA-N 1 2 337.489 2.465 20 30 EEEDLO CC(C)C#CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2nc(C(C)C)no2)C1 ZINC001190004996 1280623694 /nfs/dbraw/zinc/62/36/94/1280623694.db2.gz VKPVEWXKPPGTJQ-CABCVRRESA-N 1 2 332.448 2.446 20 30 EEEDLO CC(C)C#CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2nc(C(C)C)no2)C1 ZINC001190004996 1280623701 /nfs/dbraw/zinc/62/37/01/1280623701.db2.gz VKPVEWXKPPGTJQ-CABCVRRESA-N 1 2 332.448 2.446 20 30 EEEDLO COc1ccccc1Cn1c[nH+]cc1CNC(=O)c1ccnc(C#N)c1 ZINC001191559174 1281484110 /nfs/dbraw/zinc/48/41/10/1281484110.db2.gz GBXUXXRGDZEGFZ-UHFFFAOYSA-N 1 2 347.378 2.137 20 30 EEEDLO 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/nfs/dbraw/zinc/51/68/17/1310516817.db2.gz SAHLEEOBHSZDPW-CABCVRRESA-N 1 2 343.475 2.222 20 30 EEEDLO C#CCOc1ccc(CNC(=O)[C@H](CC)[N@@H+]2CCO[C@H](CC)C2)cc1 ZINC000836870982 1315034099 /nfs/dbraw/zinc/03/40/99/1315034099.db2.gz CYKAXGFNJUXORI-MJGOQNOKSA-N 1 2 344.455 2.204 20 30 EEEDLO C#CCOc1ccc(CNC(=O)[C@H](CC)[N@H+]2CCO[C@H](CC)C2)cc1 ZINC000836870982 1315034101 /nfs/dbraw/zinc/03/41/01/1315034101.db2.gz CYKAXGFNJUXORI-MJGOQNOKSA-N 1 2 344.455 2.204 20 30 EEEDLO C=CCN1CCN(C[NH+]2CCC(C(=O)c3ccccc3)CC2)C1=O ZINC000839953884 1315262775 /nfs/dbraw/zinc/26/27/75/1315262775.db2.gz DFYRCXOODPDSIG-UHFFFAOYSA-N 1 2 327.428 2.462 20 30 EEEDLO C=CCN1CCN(C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)C1=O ZINC000840040380 1315281178 /nfs/dbraw/zinc/28/11/78/1315281178.db2.gz ZVRSVRQSZVAPGC-INIZCTEOSA-N 1 2 339.443 2.382 20 30 EEEDLO C=CCN1CCN(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)C1=O ZINC000840040380 1315281183 /nfs/dbraw/zinc/28/11/83/1315281183.db2.gz ZVRSVRQSZVAPGC-INIZCTEOSA-N 1 2 339.443 2.382 20 30 EEEDLO CSc1nc(C[N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)ccc1C#N ZINC001141945512 1315395921 /nfs/dbraw/zinc/39/59/21/1315395921.db2.gz BKTRSURBRGZSTH-CQSZACIVSA-N 1 2 345.403 2.258 20 30 EEEDLO CSc1nc(C[N@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)ccc1C#N ZINC001141945512 1315395926 /nfs/dbraw/zinc/39/59/26/1315395926.db2.gz BKTRSURBRGZSTH-CQSZACIVSA-N 1 2 345.403 2.258 20 30 EEEDLO CCC[C@@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])OC ZINC000840702326 1315399935 /nfs/dbraw/zinc/39/99/35/1315399935.db2.gz RNTXKECQLAZVSN-ZDUSSCGKSA-N 1 2 342.443 2.461 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000841655929 1315591573 /nfs/dbraw/zinc/59/15/73/1315591573.db2.gz ZWGBETPGOAIYCZ-UHFFFAOYSA-N 1 2 349.406 2.070 20 30 EEEDLO O=C(C#Cc1ccccc1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001142857593 1315775379 /nfs/dbraw/zinc/77/53/79/1315775379.db2.gz FNAIIPJIROADKD-LJQANCHMSA-N 1 2 349.434 2.320 20 30 EEEDLO CCc1ccc([C@H](COC)[NH2+]Cc2cnc3c(C#N)cnn3c2)o1 ZINC000843399732 1315907647 /nfs/dbraw/zinc/90/76/47/1315907647.db2.gz QQHPRYBSUWWCGW-HNNXBMFYSA-N 1 2 325.372 2.234 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)COCC2CCCC2)C1 ZINC001149854226 1316067869 /nfs/dbraw/zinc/06/78/69/1316067869.db2.gz JGQFJUSJHHXPIS-MRXNPFEDSA-N 1 2 344.883 2.153 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)COCC2CCCC2)C1 ZINC001149854226 1316067872 /nfs/dbraw/zinc/06/78/72/1316067872.db2.gz JGQFJUSJHHXPIS-MRXNPFEDSA-N 1 2 344.883 2.153 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1C[N@H+](Cc2cc(C)n(C)n2)CCCO1 ZINC001150159562 1316184631 /nfs/dbraw/zinc/18/46/31/1316184631.db2.gz KLHRWHLDIJPHPC-WMZOPIPTSA-N 1 2 348.491 2.038 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1C[N@@H+](Cc2cc(C)n(C)n2)CCCO1 ZINC001150159562 1316184635 /nfs/dbraw/zinc/18/46/35/1316184635.db2.gz KLHRWHLDIJPHPC-WMZOPIPTSA-N 1 2 348.491 2.038 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C)Cc2ccco2)C1 ZINC001150444635 1316265809 /nfs/dbraw/zinc/26/58/09/1316265809.db2.gz LYEWKGNRKDJLLX-XJKSGUPXSA-N 1 2 340.851 2.418 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C)Cc2ccco2)C1 ZINC001150444635 1316265813 /nfs/dbraw/zinc/26/58/13/1316265813.db2.gz LYEWKGNRKDJLLX-XJKSGUPXSA-N 1 2 340.851 2.418 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)COc2ccccc2)C1 ZINC001150639498 1316324355 /nfs/dbraw/zinc/32/43/55/1316324355.db2.gz FKMKNAOUFFNNDV-INIZCTEOSA-N 1 2 338.835 2.025 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)COc2ccccc2)C1 ZINC001150639498 1316324360 /nfs/dbraw/zinc/32/43/60/1316324360.db2.gz FKMKNAOUFFNNDV-INIZCTEOSA-N 1 2 338.835 2.025 20 30 EEEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nc(C(F)F)no2)CCCC1 ZINC001153817769 1316891792 /nfs/dbraw/zinc/89/17/92/1316891792.db2.gz RPZIRJVIYXUICH-UHFFFAOYSA-N 1 2 328.363 2.350 20 30 EEEDLO COC(=O)[C@@H]1C[N@H+](Cc2cnn3ccc(C#N)cc23)Cc2ccccc21 ZINC001249118059 1317004960 /nfs/dbraw/zinc/00/49/60/1317004960.db2.gz AHMMPNTULVSKQN-GOSISDBHSA-N 1 2 346.390 2.478 20 30 EEEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cnn3ccc(C#N)cc23)Cc2ccccc21 ZINC001249118059 1317004962 /nfs/dbraw/zinc/00/49/62/1317004962.db2.gz AHMMPNTULVSKQN-GOSISDBHSA-N 1 2 346.390 2.478 20 30 EEEDLO CCCCCCCC[C@H](O)C[NH+]1CCN(S(=O)(=O)CC)CC1 ZINC001252130470 1317559212 /nfs/dbraw/zinc/55/92/12/1317559212.db2.gz RGFOXIOKNYDZBQ-INIZCTEOSA-N 1 2 334.526 2.065 20 30 EEEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254289280 1318036155 /nfs/dbraw/zinc/03/61/55/1318036155.db2.gz UILKUUCPZBRXBG-STQMWFEESA-N 1 2 346.493 2.227 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C2CC2)o1 ZINC001157217399 1318495637 /nfs/dbraw/zinc/49/56/37/1318495637.db2.gz PMFLJGXAIARBSM-KGLIPLIRSA-N 1 2 335.448 2.470 20 30 EEEDLO C=CCO[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C2CC2)o1 ZINC001157217399 1318495642 /nfs/dbraw/zinc/49/56/42/1318495642.db2.gz PMFLJGXAIARBSM-KGLIPLIRSA-N 1 2 335.448 2.470 20 30 EEEDLO C=CCOCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc(C)cs1 ZINC001157701390 1318805006 /nfs/dbraw/zinc/80/50/06/1318805006.db2.gz CMVSLUJMXOQIAW-OAHLLOKOSA-N 1 2 337.489 2.467 20 30 EEEDLO C=CCOCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc(C)cs1 ZINC001157701390 1318805020 /nfs/dbraw/zinc/80/50/20/1318805020.db2.gz CMVSLUJMXOQIAW-OAHLLOKOSA-N 1 2 337.489 2.467 20 30 EEEDLO COC(=O)[C@H](CS)[NH2+]C1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257572829 1319025150 /nfs/dbraw/zinc/02/51/50/1319025150.db2.gz WWNJDCDOHOPOKT-GVXVVHGQSA-N 1 2 346.493 2.224 20 30 EEEDLO C#CCCCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cnnn1C ZINC001158337061 1319182273 /nfs/dbraw/zinc/18/22/73/1319182273.db2.gz YOINYGDRWKBPPX-QGZVFWFLSA-N 1 2 345.491 2.212 20 30 EEEDLO C#CCCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cnnn1C ZINC001158337061 1319182282 /nfs/dbraw/zinc/18/22/82/1319182282.db2.gz YOINYGDRWKBPPX-QGZVFWFLSA-N 1 2 345.491 2.212 20 30 EEEDLO Cn1c[nH+]c2cccc(NS(=O)(=O)Cc3ccc(C#N)cc3)c21 ZINC001260044963 1319781995 /nfs/dbraw/zinc/78/19/95/1319781995.db2.gz SULTUZATIXXJFX-UHFFFAOYSA-N 1 2 326.381 2.387 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NCCC1=CC[N@H+]([C@@H](C)c2ncccn2)CC1 ZINC001159979343 1320039370 /nfs/dbraw/zinc/03/93/70/1320039370.db2.gz MSMBTSUXCXZQLA-KXBFYZLASA-N 1 2 344.459 2.003 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2ncccn2)CC1 ZINC001159979343 1320039373 /nfs/dbraw/zinc/03/93/73/1320039373.db2.gz MSMBTSUXCXZQLA-KXBFYZLASA-N 1 2 344.459 2.003 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@H+](Cc2cn(C)nn2)CC1 ZINC001160856235 1320293201 /nfs/dbraw/zinc/29/32/01/1320293201.db2.gz IBBZDDNBMLYBMD-UHFFFAOYSA-N 1 2 331.464 2.056 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2cn(C)nn2)CC1 ZINC001160856235 1320293207 /nfs/dbraw/zinc/29/32/07/1320293207.db2.gz IBBZDDNBMLYBMD-UHFFFAOYSA-N 1 2 331.464 2.056 20 30 EEEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2nnc(C)n2CC)CC1 ZINC001160882829 1320304226 /nfs/dbraw/zinc/30/42/26/1320304226.db2.gz UWSFASSQVSQYKR-UHFFFAOYSA-N 1 2 345.491 2.457 20 30 EEEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](Cc2nnc(C)n2CC)CC1 ZINC001160882829 1320304230 /nfs/dbraw/zinc/30/42/30/1320304230.db2.gz UWSFASSQVSQYKR-UHFFFAOYSA-N 1 2 345.491 2.457 20 30 EEEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1ncccc1C#C[Si](C)(C)C ZINC001162854649 1320975186 /nfs/dbraw/zinc/97/51/86/1320975186.db2.gz VIRPLKGNFWFDJG-AWEZNQCLSA-N 1 2 333.508 2.391 20 30 EEEDLO C#Cc1ccc(C(=O)NCCC[NH2+]Cc2noc(C(C)(C)C)n2)cc1 ZINC001163733823 1321205967 /nfs/dbraw/zinc/20/59/67/1321205967.db2.gz FRBCPMLHQSUATJ-UHFFFAOYSA-N 1 2 340.427 2.258 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC2(CCO2)CC1 ZINC001262952408 1322403960 /nfs/dbraw/zinc/40/39/60/1322403960.db2.gz RSZHFMXPFYVUBQ-UHFFFAOYSA-N 1 2 331.464 2.209 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(F)(F)F)C1 ZINC001206401892 1323483808 /nfs/dbraw/zinc/48/38/08/1323483808.db2.gz NGIMFPUNPVMYFY-VXNVDRBHSA-N 1 2 329.160 2.284 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(F)(F)F)C1 ZINC001206401892 1323483812 /nfs/dbraw/zinc/48/38/12/1323483812.db2.gz NGIMFPUNPVMYFY-VXNVDRBHSA-N 1 2 329.160 2.284 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001206782351 1323592692 /nfs/dbraw/zinc/59/26/92/1323592692.db2.gz NRBKTXKOCQSCBR-SJLPKXTDSA-N 1 2 348.491 2.383 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C(C)C)n2)C[C@H]1C ZINC001206782351 1323592695 /nfs/dbraw/zinc/59/26/95/1323592695.db2.gz NRBKTXKOCQSCBR-SJLPKXTDSA-N 1 2 348.491 2.383 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)/C(C)=C\C)C2)c1 ZINC001206841148 1323626656 /nfs/dbraw/zinc/62/66/56/1323626656.db2.gz GJDQRSBCWIQXCW-DZLAQPFJSA-N 1 2 339.439 2.009 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)/C(C)=C\C)C2)c1 ZINC001206841148 1323626661 /nfs/dbraw/zinc/62/66/61/1323626661.db2.gz GJDQRSBCWIQXCW-DZLAQPFJSA-N 1 2 339.439 2.009 20 30 EEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001206950680 1323736455 /nfs/dbraw/zinc/73/64/55/1323736455.db2.gz DQJUEHSBCDUDTN-NVXWUHKLSA-N 1 2 341.455 2.111 20 30 EEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001206950680 1323736459 /nfs/dbraw/zinc/73/64/59/1323736459.db2.gz 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C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2)C[C@H]1C ZINC001207179270 1323898294 /nfs/dbraw/zinc/89/82/94/1323898294.db2.gz FCMZWTGYFVPBJB-NVXWUHKLSA-N 1 2 329.444 2.418 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)C1(C)CCOCC1 ZINC001316601290 1324087818 /nfs/dbraw/zinc/08/78/18/1324087818.db2.gz FGMMZDBHXQRNLO-IBGZPJMESA-N 1 2 340.467 2.388 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)C1(C)CCOCC1 ZINC001316601290 1324087822 /nfs/dbraw/zinc/08/78/22/1324087822.db2.gz FGMMZDBHXQRNLO-IBGZPJMESA-N 1 2 340.467 2.388 20 30 EEEDLO C#CCCCC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001207944422 1324223954 /nfs/dbraw/zinc/22/39/54/1324223954.db2.gz MUAJMXUANHBTRK-CQSZACIVSA-N 1 2 332.448 2.251 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(COC)CCC2)C1 ZINC001208022551 1324273113 /nfs/dbraw/zinc/27/31/13/1324273113.db2.gz VVUSFAQTLREPTH-DGCLKSJQSA-N 1 2 345.281 2.148 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(COC)CCC2)C1 ZINC001208022551 1324273120 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349.500 2.289 20 30 EEEDLO Cc1csc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001027833965 773218671 /nfs/dbraw/zinc/21/86/71/773218671.db2.gz WSRGJHLGJZOATE-CQSZACIVSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1csc(C[N@H+]2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001027833965 773218675 /nfs/dbraw/zinc/21/86/75/773218675.db2.gz WSRGJHLGJZOATE-CQSZACIVSA-N 1 2 329.429 2.046 20 30 EEEDLO CC[C@H]1CC[C@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)O1 ZINC001031708265 773526573 /nfs/dbraw/zinc/52/65/73/773526573.db2.gz NCFSYDIGFCZZAJ-FUHWJXTLSA-N 1 2 345.418 2.203 20 30 EEEDLO CC[C@H]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)O1 ZINC001031709650 773540830 /nfs/dbraw/zinc/54/08/30/773540830.db2.gz WUQKOUXTRXUJKU-FUHWJXTLSA-N 1 2 345.418 2.203 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)C2 ZINC001027905053 774210816 /nfs/dbraw/zinc/21/08/16/774210816.db2.gz PSYMDAVNHAPLTJ-AWEZNQCLSA-N 1 2 333.819 2.128 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)C2 ZINC001027905053 774210822 /nfs/dbraw/zinc/21/08/22/774210822.db2.gz PSYMDAVNHAPLTJ-AWEZNQCLSA-N 1 2 333.819 2.128 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126598749 783175715 /nfs/dbraw/zinc/17/57/15/783175715.db2.gz JYLMPTMNOMUHOD-HUUCEWRRSA-N 1 2 346.475 2.487 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001027943675 774759550 /nfs/dbraw/zinc/75/95/50/774759550.db2.gz VINZTKDYSWYETR-RCCFBDPRSA-N 1 2 349.438 2.166 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001027943675 774759552 /nfs/dbraw/zinc/75/95/52/774759552.db2.gz VINZTKDYSWYETR-RCCFBDPRSA-N 1 2 349.438 2.166 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCC3(F)F)C2)cc1F ZINC001031760638 775076030 /nfs/dbraw/zinc/07/60/30/775076030.db2.gz KWNUDNIQMVCWCJ-CQSZACIVSA-N 1 2 337.345 2.291 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cc3cccn3cn2)C1 ZINC001031764149 775138063 /nfs/dbraw/zinc/13/80/63/775138063.db2.gz WEFFNHQOMHFJOK-UHFFFAOYSA-N 1 2 345.406 2.068 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cc2cccn2cn1 ZINC001031763450 775149263 /nfs/dbraw/zinc/14/92/63/775149263.db2.gz DPJSRAYJTLDQKI-UHFFFAOYSA-N 1 2 344.418 2.048 20 30 EEEDLO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)c(C#N)c3)CC2)no1 ZINC000980674659 775162567 /nfs/dbraw/zinc/16/25/67/775162567.db2.gz KKKACXCZGYMJDT-UHFFFAOYSA-N 1 2 342.374 2.342 20 30 EEEDLO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)CC2)no1 ZINC000980674659 775162570 /nfs/dbraw/zinc/16/25/70/775162570.db2.gz KKKACXCZGYMJDT-UHFFFAOYSA-N 1 2 342.374 2.342 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(C)CCO2 ZINC001027968211 775353971 /nfs/dbraw/zinc/35/39/71/775353971.db2.gz LVGGCFZOLNKEEN-HNNXBMFYSA-N 1 2 349.862 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(C)CCO2 ZINC001027968211 775353983 /nfs/dbraw/zinc/35/39/83/775353983.db2.gz LVGGCFZOLNKEEN-HNNXBMFYSA-N 1 2 349.862 2.462 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)nc2ccnn2c1C ZINC001027979638 775592621 /nfs/dbraw/zinc/59/26/21/775592621.db2.gz FWBHPFFWZATTRO-CQSZACIVSA-N 1 2 347.850 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)nc2ccnn2c1C ZINC001027979638 775592630 /nfs/dbraw/zinc/59/26/30/775592630.db2.gz FWBHPFFWZATTRO-CQSZACIVSA-N 1 2 347.850 2.293 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)C[C@H]1OC ZINC001212325191 775763165 /nfs/dbraw/zinc/76/31/65/775763165.db2.gz QNYPLHDTDBRJHA-HZPDHXFCSA-N 1 2 347.459 2.008 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@H]1OC ZINC001212325191 775763172 /nfs/dbraw/zinc/76/31/72/775763172.db2.gz QNYPLHDTDBRJHA-HZPDHXFCSA-N 1 2 347.459 2.008 20 30 EEEDLO Cc1ncc(CC(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)o1 ZINC000981320371 777132384 /nfs/dbraw/zinc/13/23/84/777132384.db2.gz YCXZFKGBAAZRTJ-UHFFFAOYSA-N 1 2 337.423 2.112 20 30 EEEDLO Cc1ncc(CC(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)o1 ZINC000981320371 777132390 /nfs/dbraw/zinc/13/23/90/777132390.db2.gz YCXZFKGBAAZRTJ-UHFFFAOYSA-N 1 2 337.423 2.112 20 30 EEEDLO C[C@H]1OCC[C@@]1(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000981676006 777964201 /nfs/dbraw/zinc/96/42/01/777964201.db2.gz JLYPXTPTIIOUCE-RDTXWAMCSA-N 1 2 347.484 2.469 20 30 EEEDLO C[C@H]1OCC[C@@]1(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000981676006 777964209 /nfs/dbraw/zinc/96/42/09/777964209.db2.gz JLYPXTPTIIOUCE-RDTXWAMCSA-N 1 2 347.484 2.469 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](CC(=O)N2CCCCCC2)CC1 ZINC000981753354 778138955 /nfs/dbraw/zinc/13/89/55/778138955.db2.gz BXIKWJRYTMXDSY-UHFFFAOYSA-N 1 2 335.492 2.136 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)N2CCCCCC2)CC1 ZINC000981753354 778138959 /nfs/dbraw/zinc/13/89/59/778138959.db2.gz BXIKWJRYTMXDSY-UHFFFAOYSA-N 1 2 335.492 2.136 20 30 EEEDLO CC[C@H](F)C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2OC)CC1 ZINC000981764508 778160335 /nfs/dbraw/zinc/16/03/35/778160335.db2.gz ZCFVPQQIMLLPDC-INIZCTEOSA-N 1 2 333.407 2.349 20 30 EEEDLO CC[C@H](F)C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2OC)CC1 ZINC000981764508 778160337 /nfs/dbraw/zinc/16/03/37/778160337.db2.gz ZCFVPQQIMLLPDC-INIZCTEOSA-N 1 2 333.407 2.349 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2ccsc2)C1 ZINC001149130159 778375820 /nfs/dbraw/zinc/37/58/20/778375820.db2.gz LFIVXQYIUIPBKF-AWEZNQCLSA-N 1 2 328.865 2.250 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2ccsc2)C1 ZINC001149130159 778375827 /nfs/dbraw/zinc/37/58/27/778375827.db2.gz LFIVXQYIUIPBKF-AWEZNQCLSA-N 1 2 328.865 2.250 20 30 EEEDLO CCc1ncoc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088846644 790623490 /nfs/dbraw/zinc/62/34/90/790623490.db2.gz YUHFXQGDARGVFR-QAPCUYQASA-N 1 2 337.423 2.481 20 30 EEEDLO CCc1ncoc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088846644 790623495 /nfs/dbraw/zinc/62/34/95/790623495.db2.gz YUHFXQGDARGVFR-QAPCUYQASA-N 1 2 337.423 2.481 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cccc2c[nH]nc21 ZINC001031890457 778695071 /nfs/dbraw/zinc/69/50/71/778695071.db2.gz VZXFKIKPXQCMKG-UHFFFAOYSA-N 1 2 344.418 2.276 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1nocc1C ZINC001028193557 778817830 /nfs/dbraw/zinc/81/78/30/778817830.db2.gz VBHCBNGEFIZTBW-RYRKJORJSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1nocc1C ZINC001028193557 778817833 /nfs/dbraw/zinc/81/78/33/778817833.db2.gz VBHCBNGEFIZTBW-RYRKJORJSA-N 1 2 347.459 2.435 20 30 EEEDLO O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1)c1nccs1 ZINC001028221900 779270854 /nfs/dbraw/zinc/27/08/54/779270854.db2.gz KFFAKSWRIJRLCY-INIZCTEOSA-N 1 2 325.437 2.389 20 30 EEEDLO O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1)c1nccs1 ZINC001028221900 779270859 /nfs/dbraw/zinc/27/08/59/779270859.db2.gz KFFAKSWRIJRLCY-INIZCTEOSA-N 1 2 325.437 2.389 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001028231858 779447494 /nfs/dbraw/zinc/44/74/94/779447494.db2.gz XWYLMMMQTUWHOL-AAEUAGOBSA-N 1 2 336.867 2.481 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001028231858 779447497 /nfs/dbraw/zinc/44/74/97/779447497.db2.gz XWYLMMMQTUWHOL-AAEUAGOBSA-N 1 2 336.867 2.481 20 30 EEEDLO C[C@@H](C#N)CNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000182687653 779493640 /nfs/dbraw/zinc/49/36/40/779493640.db2.gz ZOMKWTLXCMJOHC-AWEZNQCLSA-N 1 2 329.448 2.180 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2nc(C)oc2C)nc1 ZINC001028271703 779854476 /nfs/dbraw/zinc/85/44/76/779854476.db2.gz MKQXOBZEVAAOSU-MRXNPFEDSA-N 1 2 338.411 2.062 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2nc(C)oc2C)nc1 ZINC001028271703 779854481 /nfs/dbraw/zinc/85/44/81/779854481.db2.gz MKQXOBZEVAAOSU-MRXNPFEDSA-N 1 2 338.411 2.062 20 30 EEEDLO C#CCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C)s3)C[C@@]2(C)C1 ZINC001101203069 780929492 /nfs/dbraw/zinc/92/94/92/780929492.db2.gz FKKSKTFELPSLBX-QAPCUYQASA-N 1 2 346.500 2.320 20 30 EEEDLO C#CCCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(C)s3)C[C@@]2(C)C1 ZINC001101203069 780929496 /nfs/dbraw/zinc/92/94/96/780929496.db2.gz FKKSKTFELPSLBX-QAPCUYQASA-N 1 2 346.500 2.320 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)o1 ZINC001075658502 780970938 /nfs/dbraw/zinc/97/09/38/780970938.db2.gz FVJHVEZWOSDPPU-DUVNUKRYSA-N 1 2 339.399 2.090 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+]2C[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)o1 ZINC001075658502 780970941 /nfs/dbraw/zinc/97/09/41/780970941.db2.gz FVJHVEZWOSDPPU-DUVNUKRYSA-N 1 2 339.399 2.090 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3(CC)CCCCC3)C2)nn1 ZINC001105375694 781052288 /nfs/dbraw/zinc/05/22/88/781052288.db2.gz LFJXQTUPGSQZDE-UHFFFAOYSA-N 1 2 343.475 2.135 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+]2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)o1 ZINC001075700109 781158040 /nfs/dbraw/zinc/15/80/40/781158040.db2.gz CZCQYFRHZBYKGB-HEHGZKQESA-N 1 2 339.399 2.090 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+]2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)o1 ZINC001075700109 781158047 /nfs/dbraw/zinc/15/80/47/781158047.db2.gz CZCQYFRHZBYKGB-HEHGZKQESA-N 1 2 339.399 2.090 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)CC(C)(C)C ZINC001211866572 781571948 /nfs/dbraw/zinc/57/19/48/781571948.db2.gz AAIRDIGNSAYGBJ-IAGOWNOFSA-N 1 2 347.434 2.449 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)CC(C)(C)C ZINC001211866572 781571957 /nfs/dbraw/zinc/57/19/57/781571957.db2.gz AAIRDIGNSAYGBJ-IAGOWNOFSA-N 1 2 347.434 2.449 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCOC2)[C@H]1CC ZINC001087516323 781634594 /nfs/dbraw/zinc/63/45/94/781634594.db2.gz WCBNZLBMYFCNNK-MELADBBJSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCOC2)[C@H]1CC ZINC001087516323 781634603 /nfs/dbraw/zinc/63/46/03/781634603.db2.gz WCBNZLBMYFCNNK-MELADBBJSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(C(F)F)n(C)n2)C1 ZINC001033265754 783257421 /nfs/dbraw/zinc/25/74/21/783257421.db2.gz NBEUEZKYPXOAKO-JTQLQIEISA-N 1 2 332.782 2.257 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C(F)F)n(C)n2)C1 ZINC001033265754 783257429 /nfs/dbraw/zinc/25/74/29/783257429.db2.gz NBEUEZKYPXOAKO-JTQLQIEISA-N 1 2 332.782 2.257 20 30 EEEDLO CC(C)Cc1nc(C[NH2+][C@@H]2CCCCCN(C(=O)[C@H](C)C#N)C2)no1 ZINC001088279063 783343335 /nfs/dbraw/zinc/34/33/35/783343335.db2.gz JHGFMTJYDYNDSL-HUUCEWRRSA-N 1 2 347.463 2.289 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001067514214 790941883 /nfs/dbraw/zinc/94/18/83/790941883.db2.gz IAKYHUBQEROLCZ-HNNXBMFYSA-N 1 2 348.491 2.498 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001067514214 790941887 /nfs/dbraw/zinc/94/18/87/790941887.db2.gz IAKYHUBQEROLCZ-HNNXBMFYSA-N 1 2 348.491 2.498 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001131939176 783495813 /nfs/dbraw/zinc/49/58/13/783495813.db2.gz NVJMTSLEFIRUFN-WBVHZDCISA-N 1 2 348.491 2.180 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001131939176 783495821 /nfs/dbraw/zinc/49/58/21/783495821.db2.gz NVJMTSLEFIRUFN-WBVHZDCISA-N 1 2 348.491 2.180 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001033316570 783506157 /nfs/dbraw/zinc/50/61/57/783506157.db2.gz ZYBFCVSFJHJDEY-OAHLLOKOSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001033316570 783506163 /nfs/dbraw/zinc/50/61/63/783506163.db2.gz ZYBFCVSFJHJDEY-OAHLLOKOSA-N 1 2 345.834 2.166 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001131946269 783508911 /nfs/dbraw/zinc/50/89/11/783508911.db2.gz IHTLKEGOZWXINY-LSDHHAIUSA-N 1 2 347.459 2.225 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2noc3c2CCCC3)C1 ZINC001131946269 783508926 /nfs/dbraw/zinc/50/89/26/783508926.db2.gz IHTLKEGOZWXINY-LSDHHAIUSA-N 1 2 347.459 2.225 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cncc(OC)n2)C1 ZINC001131976501 783540991 /nfs/dbraw/zinc/54/09/91/783540991.db2.gz LDCDVBOEICMQCA-CVEARBPZSA-N 1 2 344.459 2.148 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cncc(OC)n2)C1 ZINC001131976501 783540996 /nfs/dbraw/zinc/54/09/96/783540996.db2.gz LDCDVBOEICMQCA-CVEARBPZSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001033321959 783557955 /nfs/dbraw/zinc/55/79/55/783557955.db2.gz IZWJFRYAJUUKBK-AWEZNQCLSA-N 1 2 347.850 2.245 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001033321959 783557967 /nfs/dbraw/zinc/55/79/67/783557967.db2.gz IZWJFRYAJUUKBK-AWEZNQCLSA-N 1 2 347.850 2.245 20 30 EEEDLO C[C@H](C[C@@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)c1[nH]ncc1F ZINC001135408196 783720332 /nfs/dbraw/zinc/72/03/32/783720332.db2.gz UCKNZSMEBFBGDH-ZIAGYGMSSA-N 1 2 328.391 2.087 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NC[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091502464 790993320 /nfs/dbraw/zinc/99/33/20/790993320.db2.gz NQUWUECZVQRJLP-XJFOESAGSA-N 1 2 342.447 2.128 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(F)cc3ccoc32)C1 ZINC001035418293 784497325 /nfs/dbraw/zinc/49/73/25/784497325.db2.gz GBZGFGZNZCEYPI-OAHLLOKOSA-N 1 2 330.359 2.026 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc(F)cc3ccoc32)C1 ZINC001035418293 784497330 /nfs/dbraw/zinc/49/73/30/784497330.db2.gz GBZGFGZNZCEYPI-OAHLLOKOSA-N 1 2 330.359 2.026 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(F)c(F)c2F)C1 ZINC001035490638 784577515 /nfs/dbraw/zinc/57/75/15/784577515.db2.gz ZTUVFCXDQHEABM-NSHDSACASA-N 1 2 328.334 2.111 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(F)c(F)c2F)C1 ZINC001035490638 784577519 /nfs/dbraw/zinc/57/75/19/784577519.db2.gz ZTUVFCXDQHEABM-NSHDSACASA-N 1 2 328.334 2.111 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc3nc(C)sc3c2)C1 ZINC001035567158 784696801 /nfs/dbraw/zinc/69/68/01/784696801.db2.gz NMOGZVXGQLZBHL-CQSZACIVSA-N 1 2 331.441 2.221 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc3nc(C)sc3c2)C1 ZINC001035567158 784696809 /nfs/dbraw/zinc/69/68/09/784696809.db2.gz NMOGZVXGQLZBHL-CQSZACIVSA-N 1 2 331.441 2.221 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2NC(=O)CC)C1 ZINC001035554921 784725082 /nfs/dbraw/zinc/72/50/82/784725082.db2.gz HRMDFTVASHPIIU-OAHLLOKOSA-N 1 2 345.443 2.042 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccccc2NC(=O)CC)C1 ZINC001035554921 784725090 /nfs/dbraw/zinc/72/50/90/784725090.db2.gz HRMDFTVASHPIIU-OAHLLOKOSA-N 1 2 345.443 2.042 20 30 EEEDLO C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1c3cn[nH]c3CC[C@H]1C)CC2 ZINC001035752312 785059657 /nfs/dbraw/zinc/05/96/57/785059657.db2.gz GKMXNIAJFHZURG-RHSMWYFYSA-N 1 2 328.460 2.186 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2[C@H](CCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000946002021 785278830 /nfs/dbraw/zinc/27/88/30/785278830.db2.gz QGSSKVWPYFAICS-GDBMZVCRSA-N 1 2 344.459 2.004 20 30 EEEDLO CC(C)c1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@]3(C)C2)s1 ZINC001091544971 791101284 /nfs/dbraw/zinc/10/12/84/791101284.db2.gz JIJONGBYDILMMN-XNJGSVPQSA-N 1 2 347.488 2.101 20 30 EEEDLO CC(C)c1nnc(C[N@H+]2C[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@]3(C)C2)s1 ZINC001091544971 791101290 /nfs/dbraw/zinc/10/12/90/791101290.db2.gz JIJONGBYDILMMN-XNJGSVPQSA-N 1 2 347.488 2.101 20 30 EEEDLO Cc1nc(NC[C@H]2CCCN2C(=O)C#CC2CC2)c2c([nH+]1)CCCC2 ZINC001063482109 791127800 /nfs/dbraw/zinc/12/78/00/791127800.db2.gz VTEVBXQXRGDHSX-MRXNPFEDSA-N 1 2 338.455 2.480 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cnccc2C)cc1 ZINC001032554417 791129645 /nfs/dbraw/zinc/12/96/45/791129645.db2.gz YMEDZHAXYYEHOX-PMACEKPBSA-N 1 2 331.419 2.470 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cnccc2C)cc1 ZINC001032554417 791129650 /nfs/dbraw/zinc/12/96/50/791129650.db2.gz YMEDZHAXYYEHOX-PMACEKPBSA-N 1 2 331.419 2.470 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CC3(OC)CCC3)CC2)C1 ZINC001105706394 785843170 /nfs/dbraw/zinc/84/31/70/785843170.db2.gz TUHKWJYCXNSKDN-UHFFFAOYSA-N 1 2 336.476 2.214 20 30 EEEDLO C=CCNC(=O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708133838 786752947 /nfs/dbraw/zinc/75/29/47/786752947.db2.gz NAJBNTGNZQJGNP-UHFFFAOYSA-N 1 2 333.613 2.200 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCC1 ZINC001109592521 805726768 /nfs/dbraw/zinc/72/67/68/805726768.db2.gz VEOGKQKPGAQSCL-IKGGRYGDSA-N 1 2 347.503 2.369 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCC1 ZINC001109592521 805726774 /nfs/dbraw/zinc/72/67/74/805726774.db2.gz VEOGKQKPGAQSCL-IKGGRYGDSA-N 1 2 347.503 2.369 20 30 EEEDLO C=C(Br)C[NH2+]C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000996618413 786839912 /nfs/dbraw/zinc/83/99/12/786839912.db2.gz FPIVFRONTAUYNP-SECBINFHSA-N 1 2 347.150 2.376 20 30 EEEDLO C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000996618413 786839916 /nfs/dbraw/zinc/83/99/16/786839916.db2.gz FPIVFRONTAUYNP-SECBINFHSA-N 1 2 347.150 2.376 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)(C)C ZINC001109604340 805755070 /nfs/dbraw/zinc/75/50/70/805755070.db2.gz DSNWIYGWNQLYGA-ILXRZTDVSA-N 1 2 335.492 2.082 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)(C)C ZINC001109604340 805755076 /nfs/dbraw/zinc/75/50/76/805755076.db2.gz DSNWIYGWNQLYGA-ILXRZTDVSA-N 1 2 335.492 2.082 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)cc2F)[C@H](O)C1 ZINC001090595298 787175606 /nfs/dbraw/zinc/17/56/06/787175606.db2.gz OJBCIXYQYADSHW-HUUCEWRRSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)cc2F)[C@H](O)C1 ZINC001090595298 787175609 /nfs/dbraw/zinc/17/56/09/787175609.db2.gz OJBCIXYQYADSHW-HUUCEWRRSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc3ccccc3c2)[C@H](O)C1 ZINC001090598724 787188157 /nfs/dbraw/zinc/18/81/57/787188157.db2.gz BBEMLUKAVVISRL-DLBZAZTESA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc3ccccc3c2)[C@H](O)C1 ZINC001090598724 787188166 /nfs/dbraw/zinc/18/81/66/787188166.db2.gz BBEMLUKAVVISRL-DLBZAZTESA-N 1 2 345.830 2.152 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001111539490 787617360 /nfs/dbraw/zinc/61/73/60/787617360.db2.gz JLDMRCHCWVFEJI-HIFRSBDPSA-N 1 2 346.475 2.353 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001062255607 787726766 /nfs/dbraw/zinc/72/67/66/787726766.db2.gz BPGPPHPKTCACDS-MRXNPFEDSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001062255607 787726769 /nfs/dbraw/zinc/72/67/69/787726769.db2.gz BPGPPHPKTCACDS-MRXNPFEDSA-N 1 2 346.475 2.442 20 30 EEEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)C#CC(C)C)CCCC2)no1 ZINC000823612822 787833227 /nfs/dbraw/zinc/83/32/27/787833227.db2.gz HBBHIDLDEPMOOL-UHFFFAOYSA-N 1 2 332.448 2.456 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001062332001 787907330 /nfs/dbraw/zinc/90/73/30/787907330.db2.gz NCOHQTSOPJVYHF-BZUAXINKSA-N 1 2 344.459 2.367 20 30 EEEDLO C=CCCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001062332001 787907338 /nfs/dbraw/zinc/90/73/38/787907338.db2.gz NCOHQTSOPJVYHF-BZUAXINKSA-N 1 2 344.459 2.367 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1C ZINC001090733275 787937977 /nfs/dbraw/zinc/93/79/77/787937977.db2.gz LGPNZKQANDGCNE-FVQBIDKESA-N 1 2 346.475 2.440 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c3ccccc23)[C@@H](O)C1 ZINC001090752433 788073647 /nfs/dbraw/zinc/07/36/47/788073647.db2.gz UHFDLIKSTDAZIQ-SJORKVTESA-N 1 2 347.846 2.014 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c3ccccc23)[C@@H](O)C1 ZINC001090752433 788073652 /nfs/dbraw/zinc/07/36/52/788073652.db2.gz UHFDLIKSTDAZIQ-SJORKVTESA-N 1 2 347.846 2.014 20 30 EEEDLO C/C=C(\C)C(=O)NC[C@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107853394 788787289 /nfs/dbraw/zinc/78/72/89/788787289.db2.gz OJLVAQZGSCQOQR-YZGOOUTISA-N 1 2 327.428 2.232 20 30 EEEDLO C/C=C(\C)C(=O)NC[C@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107853394 788787296 /nfs/dbraw/zinc/78/72/96/788787296.db2.gz OJLVAQZGSCQOQR-YZGOOUTISA-N 1 2 327.428 2.232 20 30 EEEDLO C#CCCCCCC(=O)NCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001077745222 788912847 /nfs/dbraw/zinc/91/28/47/788912847.db2.gz 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C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2sc(CC3CC3)nc2C)C1 ZINC001108305925 803250887 /nfs/dbraw/zinc/25/08/87/803250887.db2.gz CTIKTBGDAXEXMV-GOSISDBHSA-N 1 2 349.500 2.411 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](c2cccnc2)C(C)C)C1 ZINC001108302124 803259604 /nfs/dbraw/zinc/25/96/04/803259604.db2.gz GBYKLLJCDSNUKY-MJGOQNOKSA-N 1 2 331.460 2.214 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](c2cccnc2)C(C)C)C1 ZINC001108302124 803259610 /nfs/dbraw/zinc/25/96/10/803259610.db2.gz GBYKLLJCDSNUKY-MJGOQNOKSA-N 1 2 331.460 2.214 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc3scnc3c2)C1 ZINC001108319454 803272547 /nfs/dbraw/zinc/27/25/47/803272547.db2.gz WOZTWTGITFIVMU-KRWDZBQOSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc3scnc3c2)C1 ZINC001108319454 803272550 /nfs/dbraw/zinc/27/25/50/803272550.db2.gz WOZTWTGITFIVMU-KRWDZBQOSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccncc2C(F)(F)F)C1 ZINC001108320817 803275180 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CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)Cc2ccc(C)cc2)C1 ZINC001108426099 803526918 /nfs/dbraw/zinc/52/69/18/803526918.db2.gz JZTXXTZPXZPOLP-GHTZIAJQSA-N 1 2 342.483 2.404 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)Cc2ccc(C)cc2)C1 ZINC001108426099 803526922 /nfs/dbraw/zinc/52/69/22/803526922.db2.gz JZTXXTZPXZPOLP-GHTZIAJQSA-N 1 2 342.483 2.404 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)Cc2ccc(F)cc2)C1 ZINC001108433429 803561676 /nfs/dbraw/zinc/56/16/76/803561676.db2.gz DSRXQLPUDKDGMZ-UZLBHIALSA-N 1 2 346.446 2.235 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)Cc2ccc(F)cc2)C1 ZINC001108433429 803561680 /nfs/dbraw/zinc/56/16/80/803561680.db2.gz DSRXQLPUDKDGMZ-UZLBHIALSA-N 1 2 346.446 2.235 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CCC[C@@H](C)CCC)CC2=O)C1 ZINC001108550076 804038028 /nfs/dbraw/zinc/03/80/28/804038028.db2.gz WEQKDEWUXGZUKK-HOTGVXAUSA-N 1 2 335.492 2.180 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@@H](C)CC3CCCC3)CC2=O)C1 ZINC001108576590 804157349 /nfs/dbraw/zinc/15/73/49/804157349.db2.gz WQNOPIYGSANOPA-DOTOQJQBSA-N 1 2 347.503 2.180 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](CCC)CC(C)C)CC2=O)C1 ZINC001108591703 804262700 /nfs/dbraw/zinc/26/27/00/804262700.db2.gz CHOLKBXPTRBTRN-HOTGVXAUSA-N 1 2 335.492 2.036 20 30 EEEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(OC)ns1 ZINC001109208380 805119394 /nfs/dbraw/zinc/11/93/94/805119394.db2.gz LPTSDYYDBCDAFS-SNPRPXQTSA-N 1 2 333.457 2.177 20 30 EEEDLO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(OC)ns1 ZINC001109208380 805119399 /nfs/dbraw/zinc/11/93/99/805119399.db2.gz LPTSDYYDBCDAFS-SNPRPXQTSA-N 1 2 333.457 2.177 20 30 EEEDLO C[C@H](CN(C)c1cccc(F)c1C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001109254396 805191039 /nfs/dbraw/zinc/19/10/39/805191039.db2.gz WOGGRURYANKTTP-KGLIPLIRSA-N 1 2 343.406 2.486 20 30 EEEDLO C[C@H](c1cnccn1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109261113 805208014 /nfs/dbraw/zinc/20/80/14/805208014.db2.gz SPEBQNZTRVEAKP-AIANPOQGSA-N 1 2 326.444 2.309 20 30 EEEDLO C[C@H](c1cnccn1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)C2 ZINC001109261113 805208017 /nfs/dbraw/zinc/20/80/17/805208017.db2.gz SPEBQNZTRVEAKP-AIANPOQGSA-N 1 2 326.444 2.309 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCCC[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC001109341861 805325669 /nfs/dbraw/zinc/32/56/69/805325669.db2.gz LIOTWTNEJZNQDH-DZGCQCFKSA-N 1 2 342.447 2.416 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(OC)no2)CCC1 ZINC001109393199 805397815 /nfs/dbraw/zinc/39/78/15/805397815.db2.gz VSPCFBQDHWYKQV-KBMXLJTQSA-N 1 2 343.427 2.098 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(OC)no2)CCC1 ZINC001109393199 805397823 /nfs/dbraw/zinc/39/78/23/805397823.db2.gz VSPCFBQDHWYKQV-KBMXLJTQSA-N 1 2 343.427 2.098 20 30 EEEDLO N#CCCNC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000787360127 807104695 /nfs/dbraw/zinc/10/46/95/807104695.db2.gz XFSDWPJAKNGOET-UHFFFAOYSA-N 1 2 340.349 2.446 20 30 EEEDLO C=CCOCCCC(=O)N1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC001112754198 807151743 /nfs/dbraw/zinc/15/17/43/807151743.db2.gz RLFTYPJYWYCISV-UHFFFAOYSA-N 1 2 344.455 2.344 20 30 EEEDLO CS[C@H](C)CC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001112771119 807191141 /nfs/dbraw/zinc/19/11/41/807191141.db2.gz JYXQWQXAMHEUPA-OAHLLOKOSA-N 1 2 347.484 2.375 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC[C@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001112802749 807277591 /nfs/dbraw/zinc/27/75/91/807277591.db2.gz ZRTYAHGBDUFRCK-LPHOPBHVSA-N 1 2 346.475 2.441 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+]([C@H]2CCc3c2cccc3F)CC1 ZINC001112814261 807329684 /nfs/dbraw/zinc/32/96/84/807329684.db2.gz LWFODVCTGXAOTA-PKOBYXMFSA-N 1 2 332.419 2.284 20 30 EEEDLO C=CCOCC(=O)N[C@@H](C)[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001112923955 807604923 /nfs/dbraw/zinc/60/49/23/807604923.db2.gz QTQHOLWUIJSHIG-STQMWFEESA-N 1 2 332.448 2.172 20 30 EEEDLO C[S@@](=O)c1c[nH]c2nc[nH+]c(NCc3ccc(C#N)c(F)c3)c12 ZINC001170089587 807677325 /nfs/dbraw/zinc/67/73/25/807677325.db2.gz VYDJMFUZPQNNQM-HSZRJFAPSA-N 1 2 329.360 2.270 20 30 EEEDLO COC(=O)c1ccc(C=NNc2[nH+]ccn2C)c(Br)c1 ZINC000789055195 807838367 /nfs/dbraw/zinc/83/83/67/807838367.db2.gz UAQHBCQTXATQFN-UHFFFAOYSA-N 1 2 337.177 2.415 20 30 EEEDLO C=CCOc1cccnc1C(=O)N[C@H](C)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001113150748 808259212 /nfs/dbraw/zinc/25/92/12/808259212.db2.gz QAZIWTPRUBOSQU-CHWSQXEVSA-N 1 2 341.415 2.364 20 30 EEEDLO C#CCOCCC(=O)N[C@H](C)[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001113165227 808321879 /nfs/dbraw/zinc/32/18/79/808321879.db2.gz HVOGOTPNFZSEDU-LSDHHAIUSA-N 1 2 332.448 2.253 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H](C)[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001113251168 808545555 /nfs/dbraw/zinc/54/55/55/808545555.db2.gz MIWZCXCJIATYGJ-UONOGXRCSA-N 1 2 342.447 2.252 20 30 EEEDLO Cc1nc(NCC(C)(C)CN(C)C(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001113426147 808950575 /nfs/dbraw/zinc/95/05/75/808950575.db2.gz KNBFOVLWIAAZQN-UHFFFAOYSA-N 1 2 326.404 2.195 20 30 EEEDLO C=CCOc1cccnc1C(=O)N1CC[NH+](CCOCC(C)C)CC1 ZINC001113519878 809123270 /nfs/dbraw/zinc/12/32/70/809123270.db2.gz BIBVKKMZMRDAMW-UHFFFAOYSA-N 1 2 347.459 2.077 20 30 EEEDLO Cc1cc(N(C)[C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)nc(C2CC2)[nH+]1 ZINC001113555454 809201030 /nfs/dbraw/zinc/20/10/30/809201030.db2.gz NVSJKYUNCHRRHA-LBPRGKRZSA-N 1 2 338.415 2.117 20 30 EEEDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1nc(Cl)cc(C(F)(F)F)c1C#N ZINC001170337662 809910919 /nfs/dbraw/zinc/91/09/19/809910919.db2.gz UZHSVCUWLPWBKK-UHFFFAOYSA-N 1 2 345.712 2.326 20 30 EEEDLO Cc1nc(N2CC[C@@H](C)[C@H](NC(=O)C#CC3CC3)C2)c(C)c(C)[nH+]1 ZINC001114021876 810199935 /nfs/dbraw/zinc/19/99/35/810199935.db2.gz PBUUVHQZRMZYKK-SJKOYZFVSA-N 1 2 326.444 2.146 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)SC ZINC001114155903 810487026 /nfs/dbraw/zinc/48/70/26/810487026.db2.gz SXFZIDDQPSEIIQ-MEWQQHAOSA-N 1 2 333.295 2.083 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)SC ZINC001114155903 810487030 /nfs/dbraw/zinc/48/70/30/810487030.db2.gz SXFZIDDQPSEIIQ-MEWQQHAOSA-N 1 2 333.295 2.083 20 30 EEEDLO N#Cc1c(=O)n(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc2c1CCCC2 ZINC000793747409 810517047 /nfs/dbraw/zinc/51/70/47/810517047.db2.gz WTCPNQPKGBHYTA-KRWDZBQOSA-N 1 2 341.455 2.305 20 30 EEEDLO N#Cc1c(=O)n(C[N@H+]2CCOC[C@@H](C3CCC3)C2)cc2c1CCCC2 ZINC000793747409 810517054 /nfs/dbraw/zinc/51/70/54/810517054.db2.gz WTCPNQPKGBHYTA-KRWDZBQOSA-N 1 2 341.455 2.305 20 30 EEEDLO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC(C)(C)C ZINC001114246298 810673514 /nfs/dbraw/zinc/67/35/14/810673514.db2.gz QZRJEYJTFCUNOE-YYWXWVFPSA-N 1 2 342.443 2.104 20 30 EEEDLO C[C@@H](c1nc(C2CC2)no1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C#CC(C)(C)C ZINC001114246298 810673518 /nfs/dbraw/zinc/67/35/18/810673518.db2.gz QZRJEYJTFCUNOE-YYWXWVFPSA-N 1 2 342.443 2.104 20 30 EEEDLO C=CC[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccncc1 ZINC000806819187 812002340 /nfs/dbraw/zinc/00/23/40/812002340.db2.gz NEYWJUHYYZKLKL-SZMVWBNQSA-N 1 2 344.459 2.203 20 30 EEEDLO CC[C@@H](CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)C(C)(C)C ZINC001131110147 812401141 /nfs/dbraw/zinc/40/11/41/812401141.db2.gz FUWAGGYAXBVYRT-ARFHVFGLSA-N 1 2 345.491 2.290 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cccnc1-n1cccn1 ZINC001438898170 1091553359 /nfs/dbraw/zinc/55/33/59/1091553359.db2.gz KXMFYEBKILACDO-UHFFFAOYSA-N 1 2 333.823 2.024 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cccnc1-n1cccn1 ZINC001438898170 1091553366 /nfs/dbraw/zinc/55/33/66/1091553366.db2.gz KXMFYEBKILACDO-UHFFFAOYSA-N 1 2 333.823 2.024 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1c(C)[nH]cc1NC(C)=O ZINC001445764115 1091615669 /nfs/dbraw/zinc/61/56/69/1091615669.db2.gz MZGBVTWACAFPLE-JTQLQIEISA-N 1 2 326.828 2.084 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1c(C)[nH]cc1NC(C)=O ZINC001445764115 1091615675 /nfs/dbraw/zinc/61/56/75/1091615675.db2.gz MZGBVTWACAFPLE-JTQLQIEISA-N 1 2 326.828 2.084 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)COCc2cccnc2)[C@@H]1C ZINC001449039267 1094053210 /nfs/dbraw/zinc/05/32/10/1094053210.db2.gz BLZJKGCAMMWXEI-HOCLYGCPSA-N 1 2 337.851 2.320 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)COCc2cccnc2)[C@@H]1C ZINC001449039267 1094053217 /nfs/dbraw/zinc/05/32/17/1094053217.db2.gz BLZJKGCAMMWXEI-HOCLYGCPSA-N 1 2 337.851 2.320 20 30 EEEDLO COCC(C)(C)C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001441185818 1094543790 /nfs/dbraw/zinc/54/37/90/1094543790.db2.gz MOOOEGJRPQZUNR-CYBMUJFWSA-N 1 2 347.434 2.306 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(OC)nn3)C2)CCC1 ZINC001479909407 1099302788 /nfs/dbraw/zinc/30/27/88/1099302788.db2.gz ABZVIJUFOMQVGG-OAHLLOKOSA-N 1 2 344.459 2.312 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(OC)nn3)C2)CCC1 ZINC001479909407 1099302800 /nfs/dbraw/zinc/30/28/00/1099302800.db2.gz ABZVIJUFOMQVGG-OAHLLOKOSA-N 1 2 344.459 2.312 20 30 EEEDLO C[C@@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)c1ccc2[nH]nnc2c1 ZINC001496231565 1100791660 /nfs/dbraw/zinc/79/16/60/1100791660.db2.gz GHSQGACHVRQHCI-ZDUSSCGKSA-N 1 2 348.410 2.080 20 30 EEEDLO Cc1nc(C[N@@H+](CCNC(=O)[C@H](C)C#N)C2CC2)nc2ccccc12 ZINC001493356854 1107981281 /nfs/dbraw/zinc/98/12/81/1107981281.db2.gz MTVWLNKRBFDQQF-CYBMUJFWSA-N 1 2 337.427 2.179 20 30 EEEDLO Cc1nc(C[N@H+](CCNC(=O)[C@H](C)C#N)C2CC2)nc2ccccc12 ZINC001493356854 1107981288 /nfs/dbraw/zinc/98/12/88/1107981288.db2.gz MTVWLNKRBFDQQF-CYBMUJFWSA-N 1 2 337.427 2.179 20 30 EEEDLO COCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(F)c(C#N)c2)CC1 ZINC001479227633 1110662988 /nfs/dbraw/zinc/66/29/88/1110662988.db2.gz KAWXPWQCINIDOG-MRXNPFEDSA-N 1 2 345.418 2.157 20 30 EEEDLO COCC1(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(F)c(C#N)c2)CC1 ZINC001479227633 1110662989 /nfs/dbraw/zinc/66/29/89/1110662989.db2.gz KAWXPWQCINIDOG-MRXNPFEDSA-N 1 2 345.418 2.157 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2occc2C(C)C)C1 ZINC001500714128 1113039107 /nfs/dbraw/zinc/03/91/07/1113039107.db2.gz IOYDATVANIQTQR-MRXNPFEDSA-N 1 2 326.824 2.322 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2occc2C(C)C)C1 ZINC001500714128 1113039110 /nfs/dbraw/zinc/03/91/10/1113039110.db2.gz IOYDATVANIQTQR-MRXNPFEDSA-N 1 2 326.824 2.322 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1ccc(NC(C)=O)cc1 ZINC001505957150 1114299717 /nfs/dbraw/zinc/29/97/17/1114299717.db2.gz NKRXVFWEQORPTK-ZDUSSCGKSA-N 1 2 337.851 2.377 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)Cc1ccc(NC(C)=O)cc1 ZINC001505957150 1114299719 /nfs/dbraw/zinc/29/97/19/1114299719.db2.gz NKRXVFWEQORPTK-ZDUSSCGKSA-N 1 2 337.851 2.377 20 30 EEEDLO N#Cc1cccc(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1 ZINC000053093643 214164131 /nfs/dbraw/zinc/16/41/31/214164131.db2.gz GXRJMBMWOWUTLD-UHFFFAOYSA-N 1 2 345.406 2.164 20 30 EEEDLO CCc1nc(CN2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)cs1 ZINC000191274446 529736803 /nfs/dbraw/zinc/73/68/03/529736803.db2.gz KXXRBIIYGUBOGK-UHFFFAOYSA-N 1 2 329.473 2.233 20 30 EEEDLO N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000131844579 283215566 /nfs/dbraw/zinc/21/55/66/283215566.db2.gz LQOZUDAPIAQFTO-INIZCTEOSA-N 1 2 349.438 2.056 20 30 EEEDLO COCC[C@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000101701745 237068601 /nfs/dbraw/zinc/06/86/01/237068601.db2.gz BOIVTBFRGXKFBU-LBPRGKRZSA-N 1 2 328.416 2.071 20 30 EEEDLO N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000370138939 238254319 /nfs/dbraw/zinc/25/43/19/238254319.db2.gz AFIWUZRKPLXKLE-FUHWJXTLSA-N 1 2 349.438 2.239 20 30 EEEDLO C[C@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)[NH+]1CCOCC1 ZINC000455747298 244070848 /nfs/dbraw/zinc/07/08/48/244070848.db2.gz IEMPRBNKCVJFOD-GFCCVEGCSA-N 1 2 336.823 2.248 20 30 EEEDLO CC[C@H](C(=O)NCc1ccc(C#N)c(F)c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000456848453 244371505 /nfs/dbraw/zinc/37/15/05/244371505.db2.gz WMWMWYQCWGZKSL-NVXWUHKLSA-N 1 2 333.407 2.203 20 30 EEEDLO CC[C@H](C(=O)NCc1ccc(C#N)c(F)c1)[N@H+]1CCO[C@H](CC)C1 ZINC000456848453 244371509 /nfs/dbraw/zinc/37/15/09/244371509.db2.gz WMWMWYQCWGZKSL-NVXWUHKLSA-N 1 2 333.407 2.203 20 30 EEEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457295113 244507673 /nfs/dbraw/zinc/50/76/73/244507673.db2.gz RCRFZEOTIKDFLN-NSHDSACASA-N 1 2 330.413 2.482 20 30 EEEDLO C#CCNC(=O)C1CC[NH+](Cc2ccc(Cl)nc2Cl)CC1 ZINC000491438546 246031482 /nfs/dbraw/zinc/03/14/82/246031482.db2.gz DHIORJVZGPYIIW-UHFFFAOYSA-N 1 2 326.227 2.350 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000495017355 247052936 /nfs/dbraw/zinc/05/29/36/247052936.db2.gz MGKQDQWPBLUBLT-QGZVFWFLSA-N 1 2 347.459 2.161 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000495017355 247052941 /nfs/dbraw/zinc/05/29/41/247052941.db2.gz MGKQDQWPBLUBLT-QGZVFWFLSA-N 1 2 347.459 2.161 20 30 EEEDLO Cc1cc(F)cc2c1ncc(C#N)c2N(C)CC[NH+]1CCOCC1 ZINC000266442602 248303501 /nfs/dbraw/zinc/30/35/01/248303501.db2.gz WKXDMZBEYBEJLX-UHFFFAOYSA-N 1 2 328.391 2.322 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361249 218136662 /nfs/dbraw/zinc/13/66/62/218136662.db2.gz NMBJZQASEDOJPX-OAHLLOKOSA-N 1 2 339.457 2.269 20 30 EEEDLO C=CC[N@H+](Cc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361249 218136664 /nfs/dbraw/zinc/13/66/64/218136664.db2.gz NMBJZQASEDOJPX-OAHLLOKOSA-N 1 2 339.457 2.269 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000268680192 252133266 /nfs/dbraw/zinc/13/32/66/252133266.db2.gz MBINSFJYOFPAHI-OXQOHEQNSA-N 1 2 336.439 2.365 20 30 EEEDLO C#CCn1ccc(CN(CCOC)c2nc(C)[nH+]c3c2CCCC3)n1 ZINC000491727031 533219391 /nfs/dbraw/zinc/21/93/91/533219391.db2.gz FIAVEFGCKPYAGS-UHFFFAOYSA-N 1 2 339.443 2.147 20 30 EEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000270988966 256195634 /nfs/dbraw/zinc/19/56/34/256195634.db2.gz DNWPFTROTFRWTL-UHFFFAOYSA-N 1 2 337.305 2.193 20 30 EEEDLO COc1cc(C#N)ccc1C[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000270988966 256195636 /nfs/dbraw/zinc/19/56/36/256195636.db2.gz DNWPFTROTFRWTL-UHFFFAOYSA-N 1 2 337.305 2.193 20 30 EEEDLO C#C[C@@H]1COCCN1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000491515617 533271742 /nfs/dbraw/zinc/27/17/42/533271742.db2.gz OORKXUDLLZFGJM-CYBMUJFWSA-N 1 2 344.802 2.069 20 30 EEEDLO Cc1cccc(N2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 ZINC000115533191 152028925 /nfs/dbraw/zinc/02/89/25/152028925.db2.gz WJYRCUCKWSSFLU-LJQANCHMSA-N 1 2 334.423 2.215 20 30 EEEDLO N#Cc1cccc(F)c1CC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354096557 153104632 /nfs/dbraw/zinc/10/46/32/153104632.db2.gz KEFCOYTZKZBFON-HNNXBMFYSA-N 1 2 325.343 2.315 20 30 EEEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1C ZINC000249071923 160372673 /nfs/dbraw/zinc/37/26/73/160372673.db2.gz LCINRKWMOVTJCT-BXUZGUMPSA-N 1 2 349.818 2.281 20 30 EEEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1C ZINC000249071923 160372674 /nfs/dbraw/zinc/37/26/74/160372674.db2.gz LCINRKWMOVTJCT-BXUZGUMPSA-N 1 2 349.818 2.281 20 30 EEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000067549069 159012069 /nfs/dbraw/zinc/01/20/69/159012069.db2.gz XYMBSVJMROMYNW-UHFFFAOYSA-N 1 2 346.431 2.141 20 30 EEEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247447305 160324913 /nfs/dbraw/zinc/32/49/13/160324913.db2.gz JBCHIQKSDBDVPZ-XJKSGUPXSA-N 1 2 330.413 2.027 20 30 EEEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247447297 160325168 /nfs/dbraw/zinc/32/51/68/160325168.db2.gz JBCHIQKSDBDVPZ-CZUORRHYSA-N 1 2 330.413 2.027 20 30 EEEDLO CN(C)c1ccc(CNC(=O)CSc2ccc(C#N)cc2)c[nH+]1 ZINC000343246863 161116447 /nfs/dbraw/zinc/11/64/47/161116447.db2.gz PXHRBPQAXFJRCF-UHFFFAOYSA-N 1 2 326.425 2.428 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(CO)c3)CC2)cc1 ZINC000345398519 161298617 /nfs/dbraw/zinc/29/86/17/161298617.db2.gz YLIXGTUQKRNKAV-UHFFFAOYSA-N 1 2 335.407 2.009 20 30 EEEDLO CN1CC[N@H+](C)[C@@H](CNc2c(C#N)cnc3c(F)cc(F)cc32)C1 ZINC000352325110 162088135 /nfs/dbraw/zinc/08/81/35/162088135.db2.gz MZINCPMNYCEOBX-ZDUSSCGKSA-N 1 2 331.370 2.042 20 30 EEEDLO CN1CC[N@@H+](C)[C@@H](CNc2c(C#N)cnc3c(F)cc(F)cc32)C1 ZINC000352325110 162088137 /nfs/dbraw/zinc/08/81/37/162088137.db2.gz MZINCPMNYCEOBX-ZDUSSCGKSA-N 1 2 331.370 2.042 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Cc2c(F)cccc2C#N)CCO1 ZINC000354900836 163008099 /nfs/dbraw/zinc/00/80/99/163008099.db2.gz MXHATLYNNIDDHE-GUYCJALGSA-N 1 2 342.374 2.010 20 30 EEEDLO Cn1cc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c(-c2ccccc2)n1 ZINC000359761617 164166684 /nfs/dbraw/zinc/16/66/84/164166684.db2.gz CSPJXCOJDUNZMB-LJQANCHMSA-N 1 2 345.406 2.275 20 30 EEEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc([S@@](C)=O)cc1 ZINC000360209460 164258214 /nfs/dbraw/zinc/25/82/14/164258214.db2.gz PWGWBMDFUOZGEK-PCJQFBCGSA-N 1 2 341.436 2.173 20 30 EEEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000374355020 167024361 /nfs/dbraw/zinc/02/43/61/167024361.db2.gz XBJNEPZPHDTWGF-QGZVFWFLSA-N 1 2 327.409 2.023 20 30 EEEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000374355020 167024365 /nfs/dbraw/zinc/02/43/65/167024365.db2.gz XBJNEPZPHDTWGF-QGZVFWFLSA-N 1 2 327.409 2.023 20 30 EEEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000292950408 270017944 /nfs/dbraw/zinc/01/79/44/270017944.db2.gz KMCDJMYPUSIUAO-INIZCTEOSA-N 1 2 331.807 2.133 20 30 EEEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000292950408 270017945 /nfs/dbraw/zinc/01/79/45/270017945.db2.gz KMCDJMYPUSIUAO-INIZCTEOSA-N 1 2 331.807 2.133 20 30 EEEDLO CCC[C@@H](C)CS(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000330743456 266067829 /nfs/dbraw/zinc/06/78/29/266067829.db2.gz COIXHAMARPFIIQ-MRXNPFEDSA-N 1 2 349.500 2.442 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@@](=O)C1 ZINC000277651426 267055064 /nfs/dbraw/zinc/05/50/64/267055064.db2.gz ZEHLSRFUBVZDNY-JBEBIEQOSA-N 1 2 342.468 2.159 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@@](=O)C1 ZINC000277651426 267055066 /nfs/dbraw/zinc/05/50/66/267055066.db2.gz ZEHLSRFUBVZDNY-JBEBIEQOSA-N 1 2 342.468 2.159 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1nc2c(cc1C#N)CCCC2 ZINC000286188335 267091685 /nfs/dbraw/zinc/09/16/85/267091685.db2.gz AVYKDQKARRMFMC-PBHICJAKSA-N 1 2 326.444 2.131 20 30 EEEDLO CN(C(=O)CSc1ccc(C#N)cc1)C(C)(C)C[NH+]1CCOCC1 ZINC000414051823 267273171 /nfs/dbraw/zinc/27/31/71/267273171.db2.gz NOUWWJGGIHDHOT-UHFFFAOYSA-N 1 2 347.484 2.220 20 30 EEEDLO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1F ZINC000289647501 268145114 /nfs/dbraw/zinc/14/51/14/268145114.db2.gz GBDNHCBZPDNZMX-UHFFFAOYSA-N 1 2 339.374 2.442 20 30 EEEDLO N#Cc1cc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)ncn1 ZINC000527134834 268184448 /nfs/dbraw/zinc/18/44/48/268184448.db2.gz QLLQRHSSQXRSHH-UHFFFAOYSA-N 1 2 330.395 2.350 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(C(F)(F)F)CC2)nc1 ZINC000290249355 268187087 /nfs/dbraw/zinc/18/70/87/268187087.db2.gz JTAJROTYRLBOFP-UHFFFAOYSA-N 1 2 347.362 2.001 20 30 EEEDLO N#Cc1cccc([N+](=O)[O-])c1NCc1ccc[nH+]c1N1CCOCC1 ZINC000425213967 268293684 /nfs/dbraw/zinc/29/36/84/268293684.db2.gz ZAMKAOLILUXNCJ-UHFFFAOYSA-N 1 2 339.355 2.310 20 30 EEEDLO COC1(C(F)(F)F)CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000419355824 277463177 /nfs/dbraw/zinc/46/31/77/277463177.db2.gz RRSPNFNAHXZPFZ-CYBMUJFWSA-N 1 2 341.333 2.128 20 30 EEEDLO Cc1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1C#N ZINC000377319088 281235491 /nfs/dbraw/zinc/23/54/91/281235491.db2.gz ZINSYJYKVCGDPM-SFHVURJKSA-N 1 2 348.406 2.108 20 30 EEEDLO Cc1cccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1C#N ZINC000377319088 281235492 /nfs/dbraw/zinc/23/54/92/281235492.db2.gz ZINSYJYKVCGDPM-SFHVURJKSA-N 1 2 348.406 2.108 20 30 EEEDLO C[C@H](CC#N)NC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455874512 289409381 /nfs/dbraw/zinc/40/93/81/289409381.db2.gz YXSYDJXAZGXZSQ-MRVPVSSYSA-N 1 2 326.198 2.334 20 30 EEEDLO Cc1cc(C)cc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)c1 ZINC000565983473 319231846 /nfs/dbraw/zinc/23/18/46/319231846.db2.gz LEPADSFLERKNEO-UHFFFAOYSA-N 1 2 337.423 2.217 20 30 EEEDLO Cc1[nH+]c2cc(CNC(=O)[C@@H](C)n3cnc(C#N)n3)ccc2n1C1CC1 ZINC000567219578 319359475 /nfs/dbraw/zinc/35/94/75/319359475.db2.gz FTXKRUWZTJQLFA-LLVKDONJSA-N 1 2 349.398 2.020 20 30 EEEDLO CCC(CC)CS(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000354613139 465055626 /nfs/dbraw/zinc/05/56/26/465055626.db2.gz WKOYKPVGSBADOT-UHFFFAOYSA-N 1 2 349.500 2.442 20 30 EEEDLO C[C@H](NC(=O)NC[C@@H]1CCCn2cc[nH+]c21)C(=O)N1CCCC[C@H]1C ZINC000328612892 465071801 /nfs/dbraw/zinc/07/18/01/465071801.db2.gz PWPAUEIRMONAHG-ILXRZTDVSA-N 1 2 347.463 2.054 20 30 EEEDLO CO[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1(C)C ZINC000296079879 465074443 /nfs/dbraw/zinc/07/44/43/465074443.db2.gz PVKXTWPJVFTFCP-INIZCTEOSA-N 1 2 336.457 2.079 20 30 EEEDLO CO[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1(C)C ZINC000296079879 465074449 /nfs/dbraw/zinc/07/44/49/465074449.db2.gz PVKXTWPJVFTFCP-INIZCTEOSA-N 1 2 336.457 2.079 20 30 EEEDLO N#Cc1ccc([C@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)C(N)=O)cc1 ZINC000351284074 465109578 /nfs/dbraw/zinc/10/95/78/465109578.db2.gz AZBJMRDTUOOBSQ-INIZCTEOSA-N 1 2 341.798 2.463 20 30 EEEDLO Cn1ccc(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cc1=O ZINC000329376508 465315958 /nfs/dbraw/zinc/31/59/58/465315958.db2.gz LKQPVYGSOSHWMM-ZDUSSCGKSA-N 1 2 328.416 2.199 20 30 EEEDLO Cc1csc(NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c1C#N ZINC000590605958 468286484 /nfs/dbraw/zinc/28/64/84/468286484.db2.gz GYWBDEHGAUMLGD-UHFFFAOYSA-N 1 2 342.428 2.381 20 30 EEEDLO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000112996194 462561318 /nfs/dbraw/zinc/56/13/18/462561318.db2.gz FKRZYJIGKKNKMU-GOSISDBHSA-N 1 2 339.395 2.171 20 30 EEEDLO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000112996194 462561321 /nfs/dbraw/zinc/56/13/21/462561321.db2.gz FKRZYJIGKKNKMU-GOSISDBHSA-N 1 2 339.395 2.171 20 30 EEEDLO C=CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)c1nc2c(s1)CCCC2 ZINC000086209707 462567895 /nfs/dbraw/zinc/56/78/95/462567895.db2.gz YYZYBMJDEWRODG-AWEZNQCLSA-N 1 2 335.473 2.262 20 30 EEEDLO C=CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)c1nc2c(s1)CCCC2 ZINC000086209707 462567902 /nfs/dbraw/zinc/56/79/02/462567902.db2.gz YYZYBMJDEWRODG-AWEZNQCLSA-N 1 2 335.473 2.262 20 30 EEEDLO COc1ccccc1[C@H](NC(=O)N(C)C[C@@H](C)C#N)c1[nH+]ccn1C ZINC000045307223 462575491 /nfs/dbraw/zinc/57/54/91/462575491.db2.gz XWCYZRTZQPVHAG-BBRMVZONSA-N 1 2 341.415 2.319 20 30 EEEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cnn1-c1ccc(C)cc1 ZINC000521442771 468314326 /nfs/dbraw/zinc/31/43/26/468314326.db2.gz QNPVHGYBJPZKKQ-SFHVURJKSA-N 1 2 325.416 2.063 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000154161951 462735988 /nfs/dbraw/zinc/73/59/88/462735988.db2.gz DKYURFLASZVDOQ-ROUUACIJSA-N 1 2 337.379 2.321 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1c[nH]nc1-c1cccs1 ZINC000154755880 462804562 /nfs/dbraw/zinc/80/45/62/462804562.db2.gz ZUSJINZSCDGISH-UHFFFAOYSA-N 1 2 345.472 2.186 20 30 EEEDLO Cc1ncc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000065610565 462810665 /nfs/dbraw/zinc/81/06/65/462810665.db2.gz LLTNHIJBHVJLNB-UHFFFAOYSA-N 1 2 346.456 2.121 20 30 EEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccccc2OCC#N)C1 ZINC000119212374 462880581 /nfs/dbraw/zinc/88/05/81/462880581.db2.gz FNMYWXUPJYZAKN-HNNXBMFYSA-N 1 2 338.411 2.417 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000076575197 462881132 /nfs/dbraw/zinc/88/11/32/462881132.db2.gz VHAFGUMCYQGEGC-UHFFFAOYSA-N 1 2 348.878 2.220 20 30 EEEDLO CCN(CCC#N)C(=O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000076575197 462881133 /nfs/dbraw/zinc/88/11/33/462881133.db2.gz VHAFGUMCYQGEGC-UHFFFAOYSA-N 1 2 348.878 2.220 20 30 EEEDLO CC[N@@H+](CC(=O)N(C)Cc1cccc(OC)c1OC)C[C@@H](C)C#N ZINC000066424440 462888013 /nfs/dbraw/zinc/88/80/13/462888013.db2.gz GVNOQWDXFFOJAG-AWEZNQCLSA-N 1 2 333.432 2.144 20 30 EEEDLO CC[N@H+](CC(=O)N(C)Cc1cccc(OC)c1OC)C[C@@H](C)C#N ZINC000066424440 462888019 /nfs/dbraw/zinc/88/80/19/462888019.db2.gz GVNOQWDXFFOJAG-AWEZNQCLSA-N 1 2 333.432 2.144 20 30 EEEDLO Cc1ccc2[nH+]c(CN3CCN(c4nccnc4C#N)C[C@@H]3C)cn2c1 ZINC000155609446 462917147 /nfs/dbraw/zinc/91/71/47/462917147.db2.gz RPHSSTWOPBCZKK-HNNXBMFYSA-N 1 2 347.426 2.015 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cnn(CC(F)(F)F)c2)n1 ZINC000491240670 468331724 /nfs/dbraw/zinc/33/17/24/468331724.db2.gz BTWNRKVSUNKBEE-UHFFFAOYSA-N 1 2 325.338 2.297 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cnn(CC(F)(F)F)c2)n1 ZINC000491240670 468331725 /nfs/dbraw/zinc/33/17/25/468331725.db2.gz BTWNRKVSUNKBEE-UHFFFAOYSA-N 1 2 325.338 2.297 20 30 EEEDLO O=C(CN1CC[NH+](Cc2cccc(F)c2)CC1)Nc1nncs1 ZINC000023252789 463064207 /nfs/dbraw/zinc/06/42/07/463064207.db2.gz ZBLAOPXMMGOURS-UHFFFAOYSA-N 1 2 335.408 2.083 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000052240261 463071081 /nfs/dbraw/zinc/07/10/81/463071081.db2.gz FSAOAMFNRGOODC-HNNXBMFYSA-N 1 2 347.484 2.095 20 30 EEEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000030967922 463318311 /nfs/dbraw/zinc/31/83/11/463318311.db2.gz RYNWOCSMRPNPIS-OAHLLOKOSA-N 1 2 344.434 2.220 20 30 EEEDLO CN(C)C(=O)Cc1nc(C[N@H+](C)Cc2ccc(C#N)cc2)cs1 ZINC000104944626 463430656 /nfs/dbraw/zinc/43/06/56/463430656.db2.gz GAHYJNOQBLIKDV-UHFFFAOYSA-N 1 2 328.441 2.277 20 30 EEEDLO CN(C)C(=O)Cc1nc(C[N@@H+](C)Cc2ccc(C#N)cc2)cs1 ZINC000104944626 463430659 /nfs/dbraw/zinc/43/06/59/463430659.db2.gz GAHYJNOQBLIKDV-UHFFFAOYSA-N 1 2 328.441 2.277 20 30 EEEDLO N#CCN(CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CCCC1 ZINC000151123369 463479404 /nfs/dbraw/zinc/47/94/04/463479404.db2.gz SJUFANYSQNAHLR-UHFFFAOYSA-N 1 2 346.500 2.160 20 30 EEEDLO Cc1ccsc1CNC(=O)CO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000151219462 463496115 /nfs/dbraw/zinc/49/61/15/463496115.db2.gz ZFUZRWQHZXZMGS-UHFFFAOYSA-N 1 2 335.404 2.457 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N(C)[C@H]2CCCC[C@@H]2C)cs1 ZINC000151274584 463503580 /nfs/dbraw/zinc/50/35/80/463503580.db2.gz ZIJXBAVMKFBBSG-FZMZJTMJSA-N 1 2 338.477 2.320 20 30 EEEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000072689576 463534391 /nfs/dbraw/zinc/53/43/91/463534391.db2.gz CPCHTEZBNFPHDQ-UHFFFAOYSA-N 1 2 334.376 2.094 20 30 EEEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000072689576 463534397 /nfs/dbraw/zinc/53/43/97/463534397.db2.gz CPCHTEZBNFPHDQ-UHFFFAOYSA-N 1 2 334.376 2.094 20 30 EEEDLO Cc1nc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)sc1SCC#N ZINC000151932660 463616131 /nfs/dbraw/zinc/61/61/31/463616131.db2.gz WWPIRMLXBYJTNF-JTQLQIEISA-N 1 2 333.442 2.465 20 30 EEEDLO Cc1ccc(NC(=O)C(=O)N(CCC#N)Cc2ccco2)c(C)[nH+]1 ZINC000164233587 463619158 /nfs/dbraw/zinc/61/91/58/463619158.db2.gz IZSROXWSYMIGLS-UHFFFAOYSA-N 1 2 326.356 2.172 20 30 EEEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000108846733 463625682 /nfs/dbraw/zinc/62/56/82/463625682.db2.gz ZIFCICDXDRJWPV-WMZOPIPTSA-N 1 2 340.471 2.375 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000164646410 463628581 /nfs/dbraw/zinc/62/85/81/463628581.db2.gz PBDMOEPBGLJLJG-UHFFFAOYSA-N 1 2 328.460 2.188 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000058886986 463630074 /nfs/dbraw/zinc/63/00/74/463630074.db2.gz JGVWOOPSJBQBJQ-UHFFFAOYSA-N 1 2 345.443 2.156 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000058886986 463630080 /nfs/dbraw/zinc/63/00/80/463630080.db2.gz JGVWOOPSJBQBJQ-UHFFFAOYSA-N 1 2 345.443 2.156 20 30 EEEDLO CCN(CC)C(=O)C[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000127085848 463680888 /nfs/dbraw/zinc/68/08/88/463680888.db2.gz XTSLYFGBJXWFFM-UHFFFAOYSA-N 1 2 347.890 2.178 20 30 EEEDLO N#Cc1cc([N+](=O)[O-])ccc1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000170606524 463682411 /nfs/dbraw/zinc/68/24/11/463682411.db2.gz TUXSQIMDEVHMFN-HNNXBMFYSA-N 1 2 327.344 2.140 20 30 EEEDLO CC[C@@](C)(C#N)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000286888679 463734902 /nfs/dbraw/zinc/73/49/02/463734902.db2.gz XDICCVLSUOWQAM-IBGZPJMESA-N 1 2 342.443 2.229 20 30 EEEDLO C=CCCS(=O)(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000276973745 463826919 /nfs/dbraw/zinc/82/69/19/463826919.db2.gz DWAGITDYSCBADE-INIZCTEOSA-N 1 2 340.514 2.100 20 30 EEEDLO C=CCCS(=O)(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000276973745 463826924 /nfs/dbraw/zinc/82/69/24/463826924.db2.gz DWAGITDYSCBADE-INIZCTEOSA-N 1 2 340.514 2.100 20 30 EEEDLO C#CC[N@@H+](CC)Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000268962571 463827949 /nfs/dbraw/zinc/82/79/49/463827949.db2.gz IXLOHTNDUHYTEO-UHFFFAOYSA-N 1 2 331.372 2.218 20 30 EEEDLO C#CC[N@H+](CC)Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000268962571 463827954 /nfs/dbraw/zinc/82/79/54/463827954.db2.gz IXLOHTNDUHYTEO-UHFFFAOYSA-N 1 2 331.372 2.218 20 30 EEEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)NC2CCC(C)CC2)cc1 ZINC000178140657 463850960 /nfs/dbraw/zinc/85/09/60/463850960.db2.gz IBCHZXLJSGGIIR-OWYJLGKBSA-N 1 2 333.432 2.416 20 30 EEEDLO CC[C@@H]1OCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000277176527 463899623 /nfs/dbraw/zinc/89/96/23/463899623.db2.gz SOAUSOLBMMYXEJ-MOPGFXCFSA-N 1 2 341.455 2.408 20 30 EEEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000590958846 468384022 /nfs/dbraw/zinc/38/40/22/468384022.db2.gz KZFBAFPRBZYPQS-YDHLFZDLSA-N 1 2 329.400 2.457 20 30 EEEDLO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2nnc(C)o2)c(OC)c1 ZINC000542611427 468386323 /nfs/dbraw/zinc/38/63/23/468386323.db2.gz FZIVLDGLSYKQHW-DOMZBBRYSA-N 1 2 347.415 2.206 20 30 EEEDLO O=C(Nc1cccc2c1OCCC2=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329786059 465434553 /nfs/dbraw/zinc/43/45/53/465434553.db2.gz QJORYFUVCLLBSM-JTQLQIEISA-N 1 2 326.356 2.258 20 30 EEEDLO O=C(Nc1cccc2c1OCCC2=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329786059 465434556 /nfs/dbraw/zinc/43/45/56/465434556.db2.gz QJORYFUVCLLBSM-JTQLQIEISA-N 1 2 326.356 2.258 20 30 EEEDLO Cc1nsc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1C#N ZINC000287887411 464023829 /nfs/dbraw/zinc/02/38/29/464023829.db2.gz USXUPXCHFPHEFK-SJORKVTESA-N 1 2 340.452 2.413 20 30 EEEDLO Cc1nsc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1C#N ZINC000287887411 464023832 /nfs/dbraw/zinc/02/38/32/464023832.db2.gz USXUPXCHFPHEFK-SJORKVTESA-N 1 2 340.452 2.413 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000279014254 464026697 /nfs/dbraw/zinc/02/66/97/464026697.db2.gz LXGBKYULDYOCFN-CGTJXYLNSA-N 1 2 329.444 2.268 20 30 EEEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180166969 464257734 /nfs/dbraw/zinc/25/77/34/464257734.db2.gz ASKBIDRPRSGFCF-UHFFFAOYSA-N 1 2 338.820 2.119 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2c(c1)N=S=N2 ZINC000271262541 464290970 /nfs/dbraw/zinc/29/09/70/464290970.db2.gz JVESIHWFVWHEJW-UHFFFAOYSA-N 1 2 345.428 2.101 20 30 EEEDLO CCc1ccc(C#CC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000293145705 464388980 /nfs/dbraw/zinc/38/89/80/464388980.db2.gz RGNIXLWOCDRPGD-UHFFFAOYSA-N 1 2 333.435 2.340 20 30 EEEDLO C=CCc1cc(C[N@@H+]2CCNC(=O)[C@@H]2CC(C)C)cc(OC)c1O ZINC000188917565 464396311 /nfs/dbraw/zinc/39/63/11/464396311.db2.gz NXSGHKLIWAFVMK-INIZCTEOSA-N 1 2 332.444 2.476 20 30 EEEDLO C=CCc1cc(C[N@H+]2CCNC(=O)[C@@H]2CC(C)C)cc(OC)c1O ZINC000188917565 464396318 /nfs/dbraw/zinc/39/63/18/464396318.db2.gz NXSGHKLIWAFVMK-INIZCTEOSA-N 1 2 332.444 2.476 20 30 EEEDLO COCCc1ccc(OC[C@@H](O)C[N@H+](CC#N)C2CCCC2)cc1 ZINC000293301047 464399067 /nfs/dbraw/zinc/39/90/67/464399067.db2.gz ZLSIFDOAXZCDLO-SFHVURJKSA-N 1 2 332.444 2.383 20 30 EEEDLO COCCc1ccc(OC[C@@H](O)C[N@@H+](CC#N)C2CCCC2)cc1 ZINC000293301047 464399072 /nfs/dbraw/zinc/39/90/72/464399072.db2.gz ZLSIFDOAXZCDLO-SFHVURJKSA-N 1 2 332.444 2.383 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(Cc2ccccc2)C(C)C)C1=O ZINC000281363171 464427422 /nfs/dbraw/zinc/42/74/22/464427422.db2.gz OAEBHAVZXOMZAX-SFHVURJKSA-N 1 2 343.471 2.142 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(Cc2ccccc2)C(C)C)C1=O ZINC000281363171 464427426 /nfs/dbraw/zinc/42/74/26/464427426.db2.gz OAEBHAVZXOMZAX-SFHVURJKSA-N 1 2 343.471 2.142 20 30 EEEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(C#N)c2)cc1O ZINC000174629268 464430986 /nfs/dbraw/zinc/43/09/86/464430986.db2.gz HVZSELIEGHIANA-UHFFFAOYSA-N 1 2 325.368 2.343 20 30 EEEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)cc1O ZINC000174629268 464430990 /nfs/dbraw/zinc/43/09/90/464430990.db2.gz HVZSELIEGHIANA-UHFFFAOYSA-N 1 2 325.368 2.343 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000281480067 464470659 /nfs/dbraw/zinc/47/06/59/464470659.db2.gz PSTQWVNVPINWKH-QFBILLFUSA-N 1 2 344.455 2.230 20 30 EEEDLO C=CCCCC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000175444930 464552114 /nfs/dbraw/zinc/55/21/14/464552114.db2.gz SNQLRRFAVYXMHH-UHFFFAOYSA-N 1 2 332.444 2.370 20 30 EEEDLO CN1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1c1nc(C2CC2)no1 ZINC000285421314 464559213 /nfs/dbraw/zinc/55/92/13/464559213.db2.gz HMLBBDHRZKQSQD-INIZCTEOSA-N 1 2 341.390 2.446 20 30 EEEDLO CN1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1c1nc(C2CC2)no1 ZINC000285421314 464559214 /nfs/dbraw/zinc/55/92/14/464559214.db2.gz HMLBBDHRZKQSQD-INIZCTEOSA-N 1 2 341.390 2.446 20 30 EEEDLO C=CCCCCNC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000285464923 464574004 /nfs/dbraw/zinc/57/40/04/464574004.db2.gz BQWFXDXZNZCIQO-UHFFFAOYSA-N 1 2 344.459 2.161 20 30 EEEDLO COC(=O)[C@@H](C)[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CCC1 ZINC000190084196 464594814 /nfs/dbraw/zinc/59/48/14/464594814.db2.gz LSGUGSWGZCTQMN-CQSZACIVSA-N 1 2 335.448 2.087 20 30 EEEDLO COC(=O)[C@@H](C)[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CCC1 ZINC000190084196 464594824 /nfs/dbraw/zinc/59/48/24/464594824.db2.gz LSGUGSWGZCTQMN-CQSZACIVSA-N 1 2 335.448 2.087 20 30 EEEDLO CC[C@@](C)(C#N)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000285536941 464601614 /nfs/dbraw/zinc/60/16/14/464601614.db2.gz RPHJSVGATKEMSC-IBGZPJMESA-N 1 2 342.443 2.146 20 30 EEEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1ncc(Br)s1 ZINC000272847001 464692207 /nfs/dbraw/zinc/69/22/07/464692207.db2.gz KNHGJLLGSJFPAL-MRVPVSSYSA-N 1 2 339.280 2.157 20 30 EEEDLO C[C@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000591167819 468420289 /nfs/dbraw/zinc/42/02/89/468420289.db2.gz RHFCKOPAAPPVOB-AWEZNQCLSA-N 1 2 330.432 2.029 20 30 EEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCC(=O)N(C)Cc1cccs1 ZINC000266182535 464766984 /nfs/dbraw/zinc/76/69/84/464766984.db2.gz GLWUBDQPIWFCEI-GFCCVEGCSA-N 1 2 327.450 2.056 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2Cc2cc(C#N)ccc2F)O1 ZINC000282495883 464840932 /nfs/dbraw/zinc/84/09/32/464840932.db2.gz QICSSVAZQFPDIJ-JKEMJCCQSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2Cc2cc(C#N)ccc2F)O1 ZINC000282495883 464840937 /nfs/dbraw/zinc/84/09/37/464840937.db2.gz QICSSVAZQFPDIJ-JKEMJCCQSA-N 1 2 332.375 2.381 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)NCCC2=CCCCC2)cc1 ZINC000298743390 465491186 /nfs/dbraw/zinc/49/11/86/465491186.db2.gz FIYNXRWJORIJAO-UHFFFAOYSA-N 1 2 331.416 2.339 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268265410 464998027 /nfs/dbraw/zinc/99/80/27/464998027.db2.gz RQKCLEPWOBSCPL-UHFFFAOYSA-N 1 2 330.413 2.158 20 30 EEEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@@H]1C1CCOCC1 ZINC000329408454 465324999 /nfs/dbraw/zinc/32/49/99/465324999.db2.gz BKYGXQGFTIMQFV-IAGOWNOFSA-N 1 2 344.459 2.465 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329462682 465341595 /nfs/dbraw/zinc/34/15/95/465341595.db2.gz SYJHJJNUNZCKEH-SWLSCSKDSA-N 1 2 348.834 2.205 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329462682 465341599 /nfs/dbraw/zinc/34/15/99/465341599.db2.gz SYJHJJNUNZCKEH-SWLSCSKDSA-N 1 2 348.834 2.205 20 30 EEEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCCOCC1)C1CCOCC1 ZINC000329523806 465362095 /nfs/dbraw/zinc/36/20/95/465362095.db2.gz RUFHEYRGSRETEM-OAHLLOKOSA-N 1 2 336.436 2.007 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000337484614 465393228 /nfs/dbraw/zinc/39/32/28/465393228.db2.gz XVEDXWBVPSRNEB-SUMWQHHRSA-N 1 2 332.404 2.470 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000337484614 465393231 /nfs/dbraw/zinc/39/32/31/465393231.db2.gz XVEDXWBVPSRNEB-SUMWQHHRSA-N 1 2 332.404 2.470 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2nc(C)no2)c(OC)c1 ZINC000348076826 465408020 /nfs/dbraw/zinc/40/80/20/465408020.db2.gz KGYSYUAXVDKTME-IUODEOHRSA-N 1 2 347.415 2.206 20 30 EEEDLO N#Cc1cc2c(nc1NCc1cccc(Cn3cc[nH+]c3)c1)CCOC2 ZINC000579915894 468432631 /nfs/dbraw/zinc/43/26/31/468432631.db2.gz GXPRZBBATQQMPJ-UHFFFAOYSA-N 1 2 345.406 2.883 20 30 EEEDLO N#C[C@H](NC(=O)CCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000337547439 465427040 /nfs/dbraw/zinc/42/70/40/465427040.db2.gz PIHOMCDSHJVSNI-ZDUSSCGKSA-N 1 2 333.189 2.417 20 30 EEEDLO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCC(F)(C#N)CC1 ZINC000352483997 465532897 /nfs/dbraw/zinc/53/28/97/465532897.db2.gz KGDVBJHCHHFBQW-DZGCQCFKSA-N 1 2 331.391 2.343 20 30 EEEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000352792400 465556223 /nfs/dbraw/zinc/55/62/23/465556223.db2.gz MDHSMJQUVAQJKE-CQSZACIVSA-N 1 2 346.349 2.313 20 30 EEEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000352792400 465556225 /nfs/dbraw/zinc/55/62/25/465556225.db2.gz MDHSMJQUVAQJKE-CQSZACIVSA-N 1 2 346.349 2.313 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)Cc1ccc(CO)o1 ZINC000352815453 465558334 /nfs/dbraw/zinc/55/83/34/465558334.db2.gz MBDQJTZSKHRPJW-HNNXBMFYSA-N 1 2 333.432 2.158 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)Cc1ccc(CO)o1 ZINC000352815453 465558342 /nfs/dbraw/zinc/55/83/42/465558342.db2.gz MBDQJTZSKHRPJW-HNNXBMFYSA-N 1 2 333.432 2.158 20 30 EEEDLO C=C(C)COc1cc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)ccc1OC ZINC000352857184 465560280 /nfs/dbraw/zinc/56/02/80/465560280.db2.gz JBXXPLCXBOVKEB-INIZCTEOSA-N 1 2 330.428 2.457 20 30 EEEDLO C=C(C)COc1cc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)ccc1OC ZINC000352857184 465560283 /nfs/dbraw/zinc/56/02/83/465560283.db2.gz JBXXPLCXBOVKEB-INIZCTEOSA-N 1 2 330.428 2.457 20 30 EEEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000330188590 465562229 /nfs/dbraw/zinc/56/22/29/465562229.db2.gz LHBIMBAELGHPLG-OCVGTWLNSA-N 1 2 330.432 2.049 20 30 EEEDLO [O-]C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330188590 465562232 /nfs/dbraw/zinc/56/22/32/465562232.db2.gz LHBIMBAELGHPLG-OCVGTWLNSA-N 1 2 330.432 2.049 20 30 EEEDLO CC[C@](C)(C#N)C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000353061697 465610876 /nfs/dbraw/zinc/61/08/76/465610876.db2.gz IRLKWTKXKSTXRV-LJQANCHMSA-N 1 2 345.443 2.118 20 30 EEEDLO CC[C@](C)(C#N)C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000353061697 465610878 /nfs/dbraw/zinc/61/08/78/465610878.db2.gz IRLKWTKXKSTXRV-LJQANCHMSA-N 1 2 345.443 2.118 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)CCc3c[nH+]c[nH]3)C2)c(F)c1 ZINC000366384738 465695603 /nfs/dbraw/zinc/69/56/03/465695603.db2.gz ZGLJEKDORALJPN-HNNXBMFYSA-N 1 2 341.390 2.138 20 30 EEEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)CCc3c[nH]c[nH+]3)C2)c(F)c1 ZINC000366384738 465695615 /nfs/dbraw/zinc/69/56/15/465695615.db2.gz ZGLJEKDORALJPN-HNNXBMFYSA-N 1 2 341.390 2.138 20 30 EEEDLO N#Cc1cccc(CCNC(=O)c2ccccc2C[NH+]2CCOCC2)c1 ZINC000340109067 465775243 /nfs/dbraw/zinc/77/52/43/465775243.db2.gz NKGUJIZFUTWEPA-UHFFFAOYSA-N 1 2 349.434 2.363 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000345767749 465900321 /nfs/dbraw/zinc/90/03/21/465900321.db2.gz HHKDJLVLPVWCDS-OALUTQOASA-N 1 2 343.471 2.354 20 30 EEEDLO Cc1cc(C)c(NC(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)c(C)[nH+]1 ZINC000331290415 466015334 /nfs/dbraw/zinc/01/53/34/466015334.db2.gz BDSHXFDKQHWPMB-HNNXBMFYSA-N 1 2 348.447 2.216 20 30 EEEDLO N#Cc1ccccc1CN1CC[N@H+](Cc2ccccc2C#N)CC(O)C1 ZINC000366932703 466022908 /nfs/dbraw/zinc/02/29/08/466022908.db2.gz LEHKJBUOFBUVBL-UHFFFAOYSA-N 1 2 346.434 2.109 20 30 EEEDLO N#Cc1ccccc1CN1CC[N@@H+](Cc2ccccc2C#N)CC(O)C1 ZINC000366932703 466022921 /nfs/dbraw/zinc/02/29/21/466022921.db2.gz LEHKJBUOFBUVBL-UHFFFAOYSA-N 1 2 346.434 2.109 20 30 EEEDLO Cc1cc(=O)n2nc(C[NH2+][C@H](C)c3ccc(C#N)cc3)sc2n1 ZINC000338360255 466057614 /nfs/dbraw/zinc/05/76/14/466057614.db2.gz PVVYXCLNAIVULB-LLVKDONJSA-N 1 2 325.397 2.182 20 30 EEEDLO C#C[C@@H](NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC)C(C)C ZINC000366994124 466061051 /nfs/dbraw/zinc/06/10/51/466061051.db2.gz BBFJDZDNNLJYDE-WBVHZDCISA-N 1 2 340.427 2.475 20 30 EEEDLO C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000349375487 466087614 /nfs/dbraw/zinc/08/76/14/466087614.db2.gz CDDQDIIHUIYGKU-QGZVFWFLSA-N 1 2 331.460 2.495 20 30 EEEDLO CC[N@H+](CC(=O)Nc1ccn(CCC#N)n1)Cc1ccccc1Cl ZINC000353810648 466166542 /nfs/dbraw/zinc/16/65/42/466166542.db2.gz DYQWPZUDCXVVNJ-UHFFFAOYSA-N 1 2 345.834 2.911 20 30 EEEDLO CC[N@@H+](CC(=O)Nc1ccn(CCC#N)n1)Cc1ccccc1Cl ZINC000353810648 466166549 /nfs/dbraw/zinc/16/65/49/466166549.db2.gz DYQWPZUDCXVVNJ-UHFFFAOYSA-N 1 2 345.834 2.911 20 30 EEEDLO Cc1cc(Br)ccc1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000580650311 468480971 /nfs/dbraw/zinc/48/09/71/468480971.db2.gz WCMHODKIUODTLR-OAHLLOKOSA-N 1 2 338.249 2.260 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(C(F)F)cc1 ZINC000338669583 466304496 /nfs/dbraw/zinc/30/44/96/466304496.db2.gz ZOYLQUNYHLAGAN-UHFFFAOYSA-N 1 2 337.370 2.312 20 30 EEEDLO COC(=O)c1cc(C[N@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)oc1C ZINC000357931827 466328352 /nfs/dbraw/zinc/32/83/52/466328352.db2.gz GSGAUNMHZCKITQ-KPZWWZAWSA-N 1 2 349.431 2.249 20 30 EEEDLO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)oc1C ZINC000357931827 466328362 /nfs/dbraw/zinc/32/83/62/466328362.db2.gz GSGAUNMHZCKITQ-KPZWWZAWSA-N 1 2 349.431 2.249 20 30 EEEDLO COc1ccc(C(=O)N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)c(OC)c1 ZINC000332426924 466540453 /nfs/dbraw/zinc/54/04/53/466540453.db2.gz CGANQKAXXPZLLX-GJZGRUSLSA-N 1 2 343.427 2.154 20 30 EEEDLO CO[C@@H]1CCCN(c2cc(C)[nH+]c(N3CCC[C@@H](OC)C3)c2C#N)C1 ZINC000408524505 466679058 /nfs/dbraw/zinc/67/90/58/466679058.db2.gz VERQWZYOHWUQDJ-HZPDHXFCSA-N 1 2 344.459 2.492 20 30 EEEDLO COC(=O)[C@@H]1CC[N@H+](CCC2(C#N)CCCCC2)[C@@H](C(=O)OC)C1 ZINC000411496273 466836520 /nfs/dbraw/zinc/83/65/20/466836520.db2.gz LLWAQVMKUWWCEP-HUUCEWRRSA-N 1 2 336.432 2.277 20 30 EEEDLO COC(=O)[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)[C@@H](C(=O)OC)C1 ZINC000411496273 466836524 /nfs/dbraw/zinc/83/65/24/466836524.db2.gz LLWAQVMKUWWCEP-HUUCEWRRSA-N 1 2 336.432 2.277 20 30 EEEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCC(C)(C)CC#N)c1 ZINC000411644195 466863886 /nfs/dbraw/zinc/86/38/86/466863886.db2.gz JWNRCRARIYMMAC-UHFFFAOYSA-N 1 2 339.399 2.082 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000375759381 466873801 /nfs/dbraw/zinc/87/38/01/466873801.db2.gz CFYLJVGPRZGLJR-STQMWFEESA-N 1 2 347.253 2.265 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000375759381 466873809 /nfs/dbraw/zinc/87/38/09/466873809.db2.gz CFYLJVGPRZGLJR-STQMWFEESA-N 1 2 347.253 2.265 20 30 EEEDLO CCS(=O)(=O)N1CC[N@H+](CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000411729383 466888543 /nfs/dbraw/zinc/88/85/43/466888543.db2.gz MMFINJBEGYPZEM-OAHLLOKOSA-N 1 2 327.494 2.206 20 30 EEEDLO CCS(=O)(=O)N1CC[N@@H+](CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000411729383 466888548 /nfs/dbraw/zinc/88/85/48/466888548.db2.gz MMFINJBEGYPZEM-OAHLLOKOSA-N 1 2 327.494 2.206 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC000412065119 466991251 /nfs/dbraw/zinc/99/12/51/466991251.db2.gz KGYHSFLFIYBAAW-QAPCUYQASA-N 1 2 330.384 2.047 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC000412065119 466991254 /nfs/dbraw/zinc/99/12/54/466991254.db2.gz KGYHSFLFIYBAAW-QAPCUYQASA-N 1 2 330.384 2.047 20 30 EEEDLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc(C#N)c(F)c3)[nH+]cn2)C1 ZINC000413311469 467212829 /nfs/dbraw/zinc/21/28/29/467212829.db2.gz DPOXSRUPLRTKJO-DOMZBBRYSA-N 1 2 341.390 2.307 20 30 EEEDLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc(C#N)c(F)c3)nc[nH+]2)C1 ZINC000413311469 467212834 /nfs/dbraw/zinc/21/28/34/467212834.db2.gz DPOXSRUPLRTKJO-DOMZBBRYSA-N 1 2 341.390 2.307 20 30 EEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000413561709 467266612 /nfs/dbraw/zinc/26/66/12/467266612.db2.gz ZLVVEWIEDXPMDK-MJGOQNOKSA-N 1 2 343.471 2.336 20 30 EEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000413561709 467266614 /nfs/dbraw/zinc/26/66/14/467266614.db2.gz ZLVVEWIEDXPMDK-MJGOQNOKSA-N 1 2 343.471 2.336 20 30 EEEDLO C=CCOc1ccccc1C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000433106299 467292482 /nfs/dbraw/zinc/29/24/82/467292482.db2.gz UIZMUMDXXIPJMP-INIZCTEOSA-N 1 2 340.427 2.494 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429244796 467315844 /nfs/dbraw/zinc/31/58/44/467315844.db2.gz HRRINNYUHCFJRE-JKSUJKDBSA-N 1 2 346.450 2.344 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429244796 467315849 /nfs/dbraw/zinc/31/58/49/467315849.db2.gz HRRINNYUHCFJRE-JKSUJKDBSA-N 1 2 346.450 2.344 20 30 EEEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420961346 467520302 /nfs/dbraw/zinc/52/03/02/467520302.db2.gz ICTITKQBJIPKJE-CYBMUJFWSA-N 1 2 336.233 2.096 20 30 EEEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420961346 467520305 /nfs/dbraw/zinc/52/03/05/467520305.db2.gz ICTITKQBJIPKJE-CYBMUJFWSA-N 1 2 336.233 2.096 20 30 EEEDLO COc1cc[nH+]cc1CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000431572793 467525428 /nfs/dbraw/zinc/52/54/28/467525428.db2.gz YBNJOIWCVBSGNI-UHFFFAOYSA-N 1 2 337.788 2.094 20 30 EEEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000448588649 467594528 /nfs/dbraw/zinc/59/45/28/467594528.db2.gz WPBDUOKLJXYIOQ-UHFFFAOYSA-N 1 2 338.411 2.032 20 30 EEEDLO C=CCC[C@@H]([NH2+]Cc1cn(C)nc1-c1cccnc1)C(=O)OCC ZINC000449654538 467678508 /nfs/dbraw/zinc/67/85/08/467678508.db2.gz FCNMZAWZDMOQKA-MRXNPFEDSA-N 1 2 328.416 2.470 20 30 EEEDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ncc(C#N)cn2)C1 ZINC000496789803 467715614 /nfs/dbraw/zinc/71/56/14/467715614.db2.gz HHPXKTDTEHADQI-DZGCQCFKSA-N 1 2 345.447 2.473 20 30 EEEDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ncc(C#N)cn2)C1 ZINC000496789803 467715616 /nfs/dbraw/zinc/71/56/16/467715616.db2.gz HHPXKTDTEHADQI-DZGCQCFKSA-N 1 2 345.447 2.473 20 30 EEEDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000496953440 467751330 /nfs/dbraw/zinc/75/13/30/467751330.db2.gz AFIPWNVLJOMNRC-CYBMUJFWSA-N 1 2 339.342 2.432 20 30 EEEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000496953440 467751336 /nfs/dbraw/zinc/75/13/36/467751336.db2.gz AFIPWNVLJOMNRC-CYBMUJFWSA-N 1 2 339.342 2.432 20 30 EEEDLO Cc1cc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)ccc1C#N ZINC000488148762 468074203 /nfs/dbraw/zinc/07/42/03/468074203.db2.gz XXINICQIPHRJNE-MSOLQXFVSA-N 1 2 348.468 2.035 20 30 EEEDLO Cc1cc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)ccc1C#N ZINC000488148762 468074205 /nfs/dbraw/zinc/07/42/05/468074205.db2.gz XXINICQIPHRJNE-MSOLQXFVSA-N 1 2 348.468 2.035 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000574956801 468133837 /nfs/dbraw/zinc/13/38/37/468133837.db2.gz AEYJGPRFTPYHSY-IKGGRYGDSA-N 1 2 341.411 2.225 20 30 EEEDLO CC(C)CC(=O)Nc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1F ZINC000575410154 468142502 /nfs/dbraw/zinc/14/25/02/468142502.db2.gz JSKQPWLJALONRE-SFHVURJKSA-N 1 2 348.422 2.384 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)C(C)(C)CC=C)CC[N@H+]1C ZINC000566365128 468149826 /nfs/dbraw/zinc/14/98/26/468149826.db2.gz FQWWRCOMGRRWDX-INIZCTEOSA-N 1 2 349.519 2.450 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)C(C)(C)CC=C)CC[N@@H+]1C ZINC000566365128 468149832 /nfs/dbraw/zinc/14/98/32/468149832.db2.gz FQWWRCOMGRRWDX-INIZCTEOSA-N 1 2 349.519 2.450 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1csc(-c2cccs2)n1 ZINC000576683523 468169958 /nfs/dbraw/zinc/16/99/58/468169958.db2.gz SNLASFYNYPILEX-HNNXBMFYSA-N 1 2 334.470 2.374 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000576644049 468170053 /nfs/dbraw/zinc/17/00/53/468170053.db2.gz FPRBHOKMHLONHM-QGZVFWFLSA-N 1 2 346.431 2.452 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000577757009 468191188 /nfs/dbraw/zinc/19/11/88/468191188.db2.gz HLVRXOGQBLINKG-KRWDZBQOSA-N 1 2 328.441 2.313 20 30 EEEDLO C#CC[N@H+](CC#CC)CC(=O)N(CC)Cc1ccc(OC)c(OC)c1 ZINC000490699075 468237197 /nfs/dbraw/zinc/23/71/97/468237197.db2.gz OIBJVHSUNCEBPX-UHFFFAOYSA-N 1 2 342.439 2.011 20 30 EEEDLO C#CC[N@@H+](CC#CC)CC(=O)N(CC)Cc1ccc(OC)c(OC)c1 ZINC000490699075 468237201 /nfs/dbraw/zinc/23/72/01/468237201.db2.gz OIBJVHSUNCEBPX-UHFFFAOYSA-N 1 2 342.439 2.011 20 30 EEEDLO N#CCc1ccc(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)cc1 ZINC000590353960 468240616 /nfs/dbraw/zinc/24/06/16/468240616.db2.gz JUVDFJQCZCSNEB-UHFFFAOYSA-N 1 2 339.399 2.052 20 30 EEEDLO Cc1cc(C#N)cnc1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000551674146 468246264 /nfs/dbraw/zinc/24/62/64/468246264.db2.gz UHRPXHGKSDMHLC-UHFFFAOYSA-N 1 2 338.386 2.359 20 30 EEEDLO C[C@@H](O)CCO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000496462956 468264411 /nfs/dbraw/zinc/26/44/11/468264411.db2.gz ZMKIHEAKURAIRW-GFCCVEGCSA-N 1 2 337.420 2.119 20 30 EEEDLO Cc1nc(N2CCN(C(=O)CC3(C#N)CCCCC3)CC2)cc[nH+]1 ZINC000597505330 468578364 /nfs/dbraw/zinc/57/83/64/468578364.db2.gz WYICNBWGKJMEFC-UHFFFAOYSA-N 1 2 327.432 2.298 20 30 EEEDLO CC(C)C[C@@H](NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592147450 468638210 /nfs/dbraw/zinc/63/82/10/468638210.db2.gz MAQMTEQJOIZUNQ-MJGOQNOKSA-N 1 2 329.444 2.240 20 30 EEEDLO CC(C)C[C@@H](NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592147450 468638214 /nfs/dbraw/zinc/63/82/14/468638214.db2.gz MAQMTEQJOIZUNQ-MJGOQNOKSA-N 1 2 329.444 2.240 20 30 EEEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149613 468639624 /nfs/dbraw/zinc/63/96/24/468639624.db2.gz SCYGDJGMUWEZSK-HWPZZCPQSA-N 1 2 348.403 2.113 20 30 EEEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149613 468639627 /nfs/dbraw/zinc/63/96/27/468639627.db2.gz SCYGDJGMUWEZSK-HWPZZCPQSA-N 1 2 348.403 2.113 20 30 EEEDLO COc1sc(C[N@@H+]2CC[C@](O)(CC#N)C2)cc1Br ZINC000592521965 468719189 /nfs/dbraw/zinc/71/91/89/468719189.db2.gz FRCSNZOVXPSMBR-GFCCVEGCSA-N 1 2 331.235 2.370 20 30 EEEDLO COc1sc(C[N@H+]2CC[C@](O)(CC#N)C2)cc1Br ZINC000592521965 468719194 /nfs/dbraw/zinc/71/91/94/468719194.db2.gz FRCSNZOVXPSMBR-GFCCVEGCSA-N 1 2 331.235 2.370 20 30 EEEDLO Cc1oc(C#N)cc1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000584031629 468788433 /nfs/dbraw/zinc/78/84/33/468788433.db2.gz JORCNRSKJHMCCW-UHFFFAOYSA-N 1 2 338.411 2.012 20 30 EEEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000601431544 468870751 /nfs/dbraw/zinc/87/07/51/468870751.db2.gz PLXKJUXGXFKUGU-ZWNOBZJWSA-N 1 2 334.376 2.187 20 30 EEEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000595609779 468920455 /nfs/dbraw/zinc/92/04/55/468920455.db2.gz PAEJUTRWRIYQAL-AWEZNQCLSA-N 1 2 329.400 2.412 20 30 EEEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000595609779 468920458 /nfs/dbraw/zinc/92/04/58/468920458.db2.gz PAEJUTRWRIYQAL-AWEZNQCLSA-N 1 2 329.400 2.412 20 30 EEEDLO CC(C)CCNC(=O)[C@H](C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595631821 468931545 /nfs/dbraw/zinc/93/15/45/468931545.db2.gz IWHCJGBUZJHGSW-AWEZNQCLSA-N 1 2 334.489 2.293 20 30 EEEDLO N#CCCCS(=O)(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000585114680 468976506 /nfs/dbraw/zinc/97/65/06/468976506.db2.gz QWVQLRSRLDIZOY-UHFFFAOYSA-N 1 2 346.456 2.451 20 30 EEEDLO Cc1ncc(CNC(=O)CC[N@H+](CCC#N)Cc2ccccn2)s1 ZINC000602776336 469067363 /nfs/dbraw/zinc/06/73/63/469067363.db2.gz FAZMXLUPQPITQU-UHFFFAOYSA-N 1 2 343.456 2.269 20 30 EEEDLO Cc1ncc(CNC(=O)CC[N@@H+](CCC#N)Cc2ccccn2)s1 ZINC000602776336 469067365 /nfs/dbraw/zinc/06/73/65/469067365.db2.gz FAZMXLUPQPITQU-UHFFFAOYSA-N 1 2 343.456 2.269 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000610855289 469092661 /nfs/dbraw/zinc/09/26/61/469092661.db2.gz WCLQVIUXVCXYLT-UHFFFAOYSA-N 1 2 339.380 2.248 20 30 EEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000602870807 469131252 /nfs/dbraw/zinc/13/12/52/469131252.db2.gz XJXGBDQADCSNMT-DYLQFAQQSA-N 1 2 332.448 2.061 20 30 EEEDLO COc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2ccccc2)cn1 ZINC000611072259 469154452 /nfs/dbraw/zinc/15/44/52/469154452.db2.gz MIBHQTANBVOGHN-UHFFFAOYSA-N 1 2 338.411 2.469 20 30 EEEDLO COc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)cn1 ZINC000611072259 469154459 /nfs/dbraw/zinc/15/44/59/469154459.db2.gz MIBHQTANBVOGHN-UHFFFAOYSA-N 1 2 338.411 2.469 20 30 EEEDLO CC(C)[C@H](NC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccc(F)cc1 ZINC000611175823 469182092 /nfs/dbraw/zinc/18/20/92/469182092.db2.gz KYBRXUSQJTXYHX-IBGZPJMESA-N 1 2 346.450 2.170 20 30 EEEDLO CC(C)COc1ncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1Cl ZINC000563221078 469203099 /nfs/dbraw/zinc/20/30/99/469203099.db2.gz YUOSOSVDRTVTBP-INIZCTEOSA-N 1 2 338.839 2.343 20 30 EEEDLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)COc1ccccc1C#N ZINC000599351774 469222446 /nfs/dbraw/zinc/22/24/46/469222446.db2.gz JAUHCCVTCHGIQQ-MRXNPFEDSA-N 1 2 348.443 2.350 20 30 EEEDLO CC(C)[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)COc1ccccc1C#N ZINC000599351774 469222451 /nfs/dbraw/zinc/22/24/51/469222451.db2.gz JAUHCCVTCHGIQQ-MRXNPFEDSA-N 1 2 348.443 2.350 20 30 EEEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000603021744 469227272 /nfs/dbraw/zinc/22/72/72/469227272.db2.gz VWCHGIBHRGIOSR-ZDUSSCGKSA-N 1 2 341.436 2.325 20 30 EEEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000603021744 469227276 /nfs/dbraw/zinc/22/72/76/469227276.db2.gz VWCHGIBHRGIOSR-ZDUSSCGKSA-N 1 2 341.436 2.325 20 30 EEEDLO N#Cc1csc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000602197703 469237583 /nfs/dbraw/zinc/23/75/83/469237583.db2.gz IBGRSRBABWFBBM-UHFFFAOYSA-N 1 2 326.425 2.015 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000611432330 469248841 /nfs/dbraw/zinc/24/88/41/469248841.db2.gz SZDQADWDOOKYHU-SJLPKXTDSA-N 1 2 334.508 2.332 20 30 EEEDLO CC(C)N1CC[C@H]([NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1=O ZINC000611553051 469277414 /nfs/dbraw/zinc/27/74/14/469277414.db2.gz PNIPBUYQBSZEEE-ROUUACIJSA-N 1 2 344.434 2.017 20 30 EEEDLO CCc1nc(CN2CC[NH+](Cc3cccc(C#N)n3)CC2)cs1 ZINC000602455651 469323840 /nfs/dbraw/zinc/32/38/40/469323840.db2.gz SXBBCVMOFDBVCB-UHFFFAOYSA-N 1 2 327.457 2.290 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCn2cc[nH+]c2C1 ZINC000604558922 469494094 /nfs/dbraw/zinc/49/40/94/469494094.db2.gz NEEAQDOVYIKASG-LLVKDONJSA-N 1 2 341.440 2.148 20 30 EEEDLO CC(C)CNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647536 469657668 /nfs/dbraw/zinc/65/76/68/469657668.db2.gz XJSZSEMSISEPSN-QAPCUYQASA-N 1 2 346.450 2.169 20 30 EEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000619719386 469670132 /nfs/dbraw/zinc/67/01/32/469670132.db2.gz WMXMCMVTMYWRRL-HNNXBMFYSA-N 1 2 326.400 2.379 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCO[C@H](c2ccccc2)C1)C1CC1 ZINC000609234241 469904811 /nfs/dbraw/zinc/90/48/11/469904811.db2.gz NYXJFWXGTZNYLY-PKOBYXMFSA-N 1 2 327.428 2.258 20 30 EEEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCO[C@H](c2ccccc2)C1)C1CC1 ZINC000609234241 469904813 /nfs/dbraw/zinc/90/48/13/469904813.db2.gz NYXJFWXGTZNYLY-PKOBYXMFSA-N 1 2 327.428 2.258 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1 ZINC000609355058 469922481 /nfs/dbraw/zinc/92/24/81/469922481.db2.gz YIGCXSAFFYEVLV-LJQANCHMSA-N 1 2 348.406 2.212 20 30 EEEDLO Cc1nccc([C@H]2CCC[N@@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C2)n1 ZINC000609671602 469953700 /nfs/dbraw/zinc/95/37/00/469953700.db2.gz IXKAXXFSEBTQIE-WMZOPIPTSA-N 1 2 335.411 2.063 20 30 EEEDLO Cc1nccc([C@H]2CCC[N@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C2)n1 ZINC000609671602 469953704 /nfs/dbraw/zinc/95/37/04/469953704.db2.gz IXKAXXFSEBTQIE-WMZOPIPTSA-N 1 2 335.411 2.063 20 30 EEEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000621270216 470022314 /nfs/dbraw/zinc/02/23/14/470022314.db2.gz TUEPJTUJORIQTJ-IRXDYDNUSA-N 1 2 330.428 2.261 20 30 EEEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000621270216 470022316 /nfs/dbraw/zinc/02/23/16/470022316.db2.gz TUEPJTUJORIQTJ-IRXDYDNUSA-N 1 2 330.428 2.261 20 30 EEEDLO C=CCn1cc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)nn1 ZINC000648768067 470340829 /nfs/dbraw/zinc/34/08/29/470340829.db2.gz OEERBYMHFNAUCT-AWEZNQCLSA-N 1 2 343.406 2.122 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1)OCC ZINC000633896662 470625589 /nfs/dbraw/zinc/62/55/89/470625589.db2.gz UALFSZNDZOQFRN-GOSISDBHSA-N 1 2 332.444 2.408 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ccc(C)cc2C)nn1 ZINC000640879377 471090308 /nfs/dbraw/zinc/09/03/08/471090308.db2.gz FELZQJSKOWHRPF-HNNXBMFYSA-N 1 2 325.416 2.208 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@H]2C[C@H](C)N(c3ccccc3)C2=O)nn1 ZINC000657377192 471119859 /nfs/dbraw/zinc/11/98/59/471119859.db2.gz NNPVHIYYPKLDHL-YOEHRIQHSA-N 1 2 325.416 2.138 20 30 EEEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C)C[C@@H](C)O2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC000669355918 471466770 /nfs/dbraw/zinc/46/67/70/471466770.db2.gz RPRZHQTZVJFBSO-NCOADZHNSA-N 1 2 345.491 2.482 20 30 EEEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C)C[C@@H](C)O2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC000669355918 471466772 /nfs/dbraw/zinc/46/67/72/471466772.db2.gz RPRZHQTZVJFBSO-NCOADZHNSA-N 1 2 345.491 2.482 20 30 EEEDLO C=CCCC(C)(C)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000663781468 471515874 /nfs/dbraw/zinc/51/58/74/471515874.db2.gz ULIYVOOZEXEMDR-QGZVFWFLSA-N 1 2 341.521 2.238 20 30 EEEDLO C=CCCn1cc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)nn1 ZINC000653488806 471638111 /nfs/dbraw/zinc/63/81/11/471638111.db2.gz NJLYDYOZKFDOTH-UHFFFAOYSA-N 1 2 331.464 2.079 20 30 EEEDLO C=CCCn1cc(C[NH+]2CCC(CN3CCCCC3=O)CC2)nn1 ZINC000653581018 471673643 /nfs/dbraw/zinc/67/36/43/471673643.db2.gz RZIKYTJAQAFXCU-UHFFFAOYSA-N 1 2 331.464 2.079 20 30 EEEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000582183262 485577127 /nfs/dbraw/zinc/57/71/27/485577127.db2.gz GPOCWQJDBFBHIM-CQSZACIVSA-N 1 2 329.400 2.136 20 30 EEEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(-n2cc[nH+]c2)ncn1 ZINC000672327129 486103265 /nfs/dbraw/zinc/10/32/65/486103265.db2.gz HKSUEDYEQWRPCF-UHFFFAOYSA-N 1 2 325.372 2.330 20 30 EEEDLO CC(=O)N[C@@H](C)C1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459413087 534536822 /nfs/dbraw/zinc/53/68/22/534536822.db2.gz SOMZFNRRBUQUBB-LBPRGKRZSA-N 1 2 330.388 2.203 20 30 EEEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356382928 526337793 /nfs/dbraw/zinc/33/77/93/526337793.db2.gz WZLXCCKAXMSSER-INIZCTEOSA-N 1 2 347.459 2.114 20 30 EEEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356382928 526337798 /nfs/dbraw/zinc/33/77/98/526337798.db2.gz WZLXCCKAXMSSER-INIZCTEOSA-N 1 2 347.459 2.114 20 30 EEEDLO C#CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000159229736 527094943 /nfs/dbraw/zinc/09/49/43/527094943.db2.gz NHXFXBSYCWLTQX-UHFFFAOYSA-N 1 2 335.407 2.052 20 30 EEEDLO C=CCCCCC[NH+]1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000193290437 527133694 /nfs/dbraw/zinc/13/36/94/527133694.db2.gz CEVUQAXOIACIMN-UHFFFAOYSA-N 1 2 341.477 2.344 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605867 527936538 /nfs/dbraw/zinc/93/65/38/527936538.db2.gz KGTXZPKJVKHXDG-ACJLOTCBSA-N 1 2 344.415 2.396 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605867 527936545 /nfs/dbraw/zinc/93/65/45/527936545.db2.gz KGTXZPKJVKHXDG-ACJLOTCBSA-N 1 2 344.415 2.396 20 30 EEEDLO CCC(CC)N=Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000727971866 576465092 /nfs/dbraw/zinc/46/50/92/576465092.db2.gz MNEWYYJCZKYIHZ-UHFFFAOYSA-N 1 2 338.477 2.211 20 30 EEEDLO C=CCOC(=O)CS(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000732357686 577174998 /nfs/dbraw/zinc/17/49/98/577174998.db2.gz INISSWGTRWZRMZ-UHFFFAOYSA-N 1 2 338.429 2.148 20 30 EEEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)OCCn1cc[nH+]c1 ZINC000771873868 577235461 /nfs/dbraw/zinc/23/54/61/577235461.db2.gz PDTVAZIVLJEHBA-UHFFFAOYSA-N 1 2 338.367 2.491 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc(OC)c(Cl)c2)CC1 ZINC000772108383 577252017 /nfs/dbraw/zinc/25/20/17/577252017.db2.gz BHADFOUIISSDKR-UHFFFAOYSA-N 1 2 349.814 2.420 20 30 EEEDLO C#CCOc1ccccc1CNC(=O)NCCCCn1cc[nH+]c1 ZINC000734167644 577282096 /nfs/dbraw/zinc/28/20/96/577282096.db2.gz YKLVBZCWQVLLQB-UHFFFAOYSA-N 1 2 326.400 2.175 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000734447176 577297828 /nfs/dbraw/zinc/29/78/28/577297828.db2.gz 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Cn1cc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)nn1 ZINC000761309231 577681624 /nfs/dbraw/zinc/68/16/24/577681624.db2.gz IMXNMUJFPBURRQ-UHFFFAOYSA-N 1 2 337.383 2.231 20 30 EEEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1cc(C)ccc1F ZINC000755773302 577830823 /nfs/dbraw/zinc/83/08/23/577830823.db2.gz UVCWFUURQNNPPA-UHFFFAOYSA-N 1 2 331.395 2.459 20 30 EEEDLO N#CCn1c(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)nc2ccccc2c1=O ZINC000746454627 577927970 /nfs/dbraw/zinc/92/79/70/577927970.db2.gz VWVAZWWUTKYNRL-CQSZACIVSA-N 1 2 348.410 2.023 20 30 EEEDLO N#CCn1c(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)nc2ccccc2c1=O ZINC000746454627 577927971 /nfs/dbraw/zinc/92/79/71/577927971.db2.gz VWVAZWWUTKYNRL-CQSZACIVSA-N 1 2 348.410 2.023 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000741699018 578122516 /nfs/dbraw/zinc/12/25/16/578122516.db2.gz GRVPGDCCHBWPFX-KRWDZBQOSA-N 1 2 329.469 2.276 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000741699018 578122517 /nfs/dbraw/zinc/12/25/17/578122517.db2.gz 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ZINC000972531404 679192149 /nfs/dbraw/zinc/19/21/49/679192149.db2.gz KPAQNOWFXQEWDP-UXHICEINSA-N 1 2 343.471 2.487 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CCC(F)(F)CC3)C2)C1 ZINC000972570082 679323169 /nfs/dbraw/zinc/32/31/69/679323169.db2.gz RRYCDOSSODDUAK-MRXNPFEDSA-N 1 2 328.403 2.301 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CCC(F)(F)CC3)C2)C1 ZINC000972570082 679323171 /nfs/dbraw/zinc/32/31/71/679323171.db2.gz RRYCDOSSODDUAK-MRXNPFEDSA-N 1 2 328.403 2.301 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3cccc(C)c3)C2)C1 ZINC000972571479 679328432 /nfs/dbraw/zinc/32/84/32/679328432.db2.gz DCRCNFXBCXDMDN-YLJYHZDGSA-N 1 2 326.440 2.035 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3cccc(C)c3)C2)C1 ZINC000972571479 679328435 /nfs/dbraw/zinc/32/84/35/679328435.db2.gz DCRCNFXBCXDMDN-YLJYHZDGSA-N 1 2 326.440 2.035 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)c3ccccc3F)C2)C1 ZINC000972597606 679395262 /nfs/dbraw/zinc/39/52/62/679395262.db2.gz 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C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3oc(CCC)nc3C)C2)C1 ZINC000972638560 679477694 /nfs/dbraw/zinc/47/76/94/679477694.db2.gz LSZYGRNYMLOKOC-GOSISDBHSA-N 1 2 333.432 2.038 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3oc(CCC)nc3C)C2)C1 ZINC000972638560 679477695 /nfs/dbraw/zinc/47/76/95/679477695.db2.gz LSZYGRNYMLOKOC-GOSISDBHSA-N 1 2 333.432 2.038 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3occ4c3CCCC4)C2)C1 ZINC000972654552 679517103 /nfs/dbraw/zinc/51/71/03/679517103.db2.gz RROXJFUNUOUMTL-HXUWFJFHSA-N 1 2 342.439 2.099 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3occ4c3CCCC4)C2)C1 ZINC000972654552 679517104 /nfs/dbraw/zinc/51/71/04/679517104.db2.gz RROXJFUNUOUMTL-HXUWFJFHSA-N 1 2 342.439 2.099 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1ccon1 ZINC000972827441 679807362 /nfs/dbraw/zinc/80/73/62/679807362.db2.gz ONVKGBCRQROTQN-MRXNPFEDSA-N 1 2 342.374 2.326 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1ccon1 ZINC000972827441 679807364 /nfs/dbraw/zinc/80/73/64/679807364.db2.gz ONVKGBCRQROTQN-MRXNPFEDSA-N 1 2 342.374 2.326 20 30 EEEDLO CC1(C)C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cnns1 ZINC000972833638 679813458 /nfs/dbraw/zinc/81/34/58/679813458.db2.gz BJYHFOXOUIVYOV-OAHLLOKOSA-N 1 2 341.440 2.050 20 30 EEEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cnns1 ZINC000972833638 679813459 /nfs/dbraw/zinc/81/34/59/679813459.db2.gz BJYHFOXOUIVYOV-OAHLLOKOSA-N 1 2 341.440 2.050 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cncc2ncn(C)c21 ZINC001024488029 679968408 /nfs/dbraw/zinc/96/84/08/679968408.db2.gz UUYDDZFAMNHGLG-CYBMUJFWSA-N 1 2 347.850 2.305 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cncc2ncn(C)c21 ZINC001024488029 679968411 /nfs/dbraw/zinc/96/84/11/679968411.db2.gz UUYDDZFAMNHGLG-CYBMUJFWSA-N 1 2 347.850 2.305 20 30 EEEDLO C=C(Cl)CN1CCCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001024520274 680015635 /nfs/dbraw/zinc/01/56/35/680015635.db2.gz HLBKQJNHKVPKQT-ZDUSSCGKSA-N 1 2 340.855 2.073 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nccs1 ZINC001024660250 681324424 /nfs/dbraw/zinc/32/44/24/681324424.db2.gz LXCUMOLTSRPYFJ-ZNMIVQPWSA-N 1 2 335.473 2.205 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1nccs1 ZINC001024660250 681324426 /nfs/dbraw/zinc/32/44/26/681324426.db2.gz LXCUMOLTSRPYFJ-ZNMIVQPWSA-N 1 2 335.473 2.205 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001024756904 681418920 /nfs/dbraw/zinc/41/89/20/681418920.db2.gz XCJAUCVYYQZUMD-UKRRQHHQSA-N 1 2 336.867 2.238 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001024756904 681418922 /nfs/dbraw/zinc/41/89/22/681418922.db2.gz XCJAUCVYYQZUMD-UKRRQHHQSA-N 1 2 336.867 2.238 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccns2)nc1 ZINC001024764151 681425398 /nfs/dbraw/zinc/42/53/98/681425398.db2.gz OIJVJUSZIBWSOO-OAHLLOKOSA-N 1 2 340.452 2.304 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccns2)nc1 ZINC001024764151 681425400 /nfs/dbraw/zinc/42/54/00/681425400.db2.gz OIJVJUSZIBWSOO-OAHLLOKOSA-N 1 2 340.452 2.304 20 30 EEEDLO CC(C)CCc1noc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H](C)C#N)n1 ZINC001024899518 681556368 /nfs/dbraw/zinc/55/63/68/681556368.db2.gz WBAJQIYENSCNSQ-HUUCEWRRSA-N 1 2 347.463 2.289 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@@H+](C/C(Cl)=C/Cl)C2)c1 ZINC001028792268 682239139 /nfs/dbraw/zinc/23/91/39/682239139.db2.gz GGJPPULRQDEPJF-NOAOUHAHSA-N 1 2 338.238 2.434 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+](C/C(Cl)=C/Cl)C2)c1 ZINC001028792268 682239141 /nfs/dbraw/zinc/23/91/41/682239141.db2.gz GGJPPULRQDEPJF-NOAOUHAHSA-N 1 2 338.238 2.434 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1[nH]nnc1C ZINC001025257721 682335376 /nfs/dbraw/zinc/33/53/76/682335376.db2.gz GLFDANMATNPHRR-KBPBESRZSA-N 1 2 337.855 2.325 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](Cc3cnon3)C2)cc1 ZINC001025504028 682928587 /nfs/dbraw/zinc/92/85/87/682928587.db2.gz XRQVKOIZPZNZNY-WMLDXEAASA-N 1 2 338.411 2.081 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](Cc3cnon3)C2)cc1 ZINC001025504028 682928589 /nfs/dbraw/zinc/92/85/89/682928589.db2.gz XRQVKOIZPZNZNY-WMLDXEAASA-N 1 2 338.411 2.081 20 30 EEEDLO C=C(Br)CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000152835545 683548583 /nfs/dbraw/zinc/54/85/83/683548583.db2.gz CCVFFKBCAWJXSV-CMPLNLGQSA-N 1 2 327.226 2.384 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ccon2)CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000993055499 683810413 /nfs/dbraw/zinc/81/04/13/683810413.db2.gz UZCQFUUHPFGRNN-YOEHRIQHSA-N 1 2 341.386 2.448 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2ccon2)CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000993055499 683810420 /nfs/dbraw/zinc/81/04/20/683810420.db2.gz UZCQFUUHPFGRNN-YOEHRIQHSA-N 1 2 341.386 2.448 20 30 EEEDLO Cc1ncncc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)[C@H]1C ZINC000993098370 683923927 /nfs/dbraw/zinc/92/39/27/683923927.db2.gz YEQKHVKPHJPUHG-KXBFYZLASA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1ncncc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@H]1C ZINC000993098370 683923928 /nfs/dbraw/zinc/92/39/28/683923928.db2.gz YEQKHVKPHJPUHG-KXBFYZLASA-N 1 2 349.438 2.440 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)s2)CO1 ZINC001029365992 684108843 /nfs/dbraw/zinc/10/88/43/684108843.db2.gz BNGPWSXBXLARCN-TUVASFSCSA-N 1 2 345.468 2.220 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)s2)CO1 ZINC001029365992 684108846 /nfs/dbraw/zinc/10/88/46/684108846.db2.gz BNGPWSXBXLARCN-TUVASFSCSA-N 1 2 345.468 2.220 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000984459081 684568151 /nfs/dbraw/zinc/56/81/51/684568151.db2.gz NUVCEYXGMOOJAL-OAHLLOKOSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCCCC1 ZINC001029453575 684703254 /nfs/dbraw/zinc/70/32/54/684703254.db2.gz ZFLTXLQTWWEPGK-FUHIMQAGSA-N 1 2 347.503 2.276 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCCCC1 ZINC001029453575 684703256 /nfs/dbraw/zinc/70/32/56/684703256.db2.gz ZFLTXLQTWWEPGK-FUHIMQAGSA-N 1 2 347.503 2.276 20 30 EEEDLO O=C(N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1)C1(CF)CC1 ZINC001029467692 684853470 /nfs/dbraw/zinc/85/34/70/684853470.db2.gz WWRQFGDDDAUFAS-HDICACEKSA-N 1 2 326.415 2.463 20 30 EEEDLO O=C(N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1)C1(CF)CC1 ZINC001029467692 684853472 /nfs/dbraw/zinc/85/34/72/684853472.db2.gz WWRQFGDDDAUFAS-HDICACEKSA-N 1 2 326.415 2.463 20 30 EEEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1ncc[nH]1 ZINC000974576471 685073558 /nfs/dbraw/zinc/07/35/58/685073558.db2.gz IQARKAVGPXGYHP-OAHLLOKOSA-N 1 2 341.390 2.061 20 30 EEEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1ncc[nH]1 ZINC000974576471 685073564 /nfs/dbraw/zinc/07/35/64/685073564.db2.gz IQARKAVGPXGYHP-OAHLLOKOSA-N 1 2 341.390 2.061 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC([N@@H+](C)Cc2ncnn2CC)CC1 ZINC000985618329 687322551 /nfs/dbraw/zinc/32/25/51/687322551.db2.gz IYOHKPGRARGCDR-GOSISDBHSA-N 1 2 333.480 2.323 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC([N@H+](C)Cc2ncnn2CC)CC1 ZINC000985618329 687322556 /nfs/dbraw/zinc/32/25/56/687322556.db2.gz IYOHKPGRARGCDR-GOSISDBHSA-N 1 2 333.480 2.323 20 30 EEEDLO Cc1nn(C)c(Cl)c1C[N@H+](C)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027405124 687962143 /nfs/dbraw/zinc/96/21/43/687962143.db2.gz BVZHYCQUFISDNE-OAHLLOKOSA-N 1 2 348.878 2.218 20 30 EEEDLO Cc1nn(C)c(Cl)c1C[N@@H+](C)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027405124 687962147 /nfs/dbraw/zinc/96/21/47/687962147.db2.gz BVZHYCQUFISDNE-OAHLLOKOSA-N 1 2 348.878 2.218 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([NH2+]Cc2nc(CC)no2)[C@H]1C ZINC000986353274 688525829 /nfs/dbraw/zinc/52/58/29/688525829.db2.gz WSOXFTSCRSVHNK-KGLIPLIRSA-N 1 2 343.431 2.012 20 30 EEEDLO Cc1nc(N[C@H]2C[C@@H](NC(=O)c3cccc4[nH+]ccn43)C2)ccc1C#N ZINC001059767389 689361424 /nfs/dbraw/zinc/36/14/24/689361424.db2.gz XAGRMKIIFKZPSE-GASCZTMLSA-N 1 2 346.394 2.282 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCCCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000987148069 689422197 /nfs/dbraw/zinc/42/21/97/689422197.db2.gz ZKWJZPXGHIBVDU-HNAYVOBHSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001059826669 690000632 /nfs/dbraw/zinc/00/06/32/690000632.db2.gz LZLZIWQPFTZRDW-QXSJWSMHSA-N 1 2 342.443 2.313 20 30 EEEDLO C=CCCC(=O)NCC[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001059854124 690289919 /nfs/dbraw/zinc/28/99/19/690289919.db2.gz ANHRWGFZMCEZGP-INIZCTEOSA-N 1 2 346.475 2.248 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@H]2C[C@@H](Nc3ccncc3C#N)C2)c(C)[nH+]1 ZINC001059891207 690710835 /nfs/dbraw/zinc/71/08/35/690710835.db2.gz CDBVMZQSPIWXTF-IYBDPMFKSA-N 1 2 335.411 2.068 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000989599147 692073406 /nfs/dbraw/zinc/07/34/06/692073406.db2.gz IFUQKWDHXDVUHK-UHFFFAOYSA-N 1 2 336.395 2.007 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000989599147 692073409 /nfs/dbraw/zinc/07/34/09/692073409.db2.gz IFUQKWDHXDVUHK-UHFFFAOYSA-N 1 2 336.395 2.007 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1ccon1)CC2 ZINC000990736973 693506508 /nfs/dbraw/zinc/50/65/08/693506508.db2.gz FSNMATTXGOOCBZ-SFNKJDCFSA-N 1 2 345.443 2.269 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1ccon1)CC2 ZINC000990736973 693506513 /nfs/dbraw/zinc/50/65/13/693506513.db2.gz FSNMATTXGOOCBZ-SFNKJDCFSA-N 1 2 345.443 2.269 20 30 EEEDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001272700367 1191836419 /nfs/dbraw/zinc/83/64/19/1191836419.db2.gz VROAYMDXISLEHE-JBBXEZCESA-N 1 2 343.402 2.240 20 30 EEEDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001272700367 1191836421 /nfs/dbraw/zinc/83/64/21/1191836421.db2.gz VROAYMDXISLEHE-JBBXEZCESA-N 1 2 343.402 2.240 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000943571763 1192362527 /nfs/dbraw/zinc/36/25/27/1192362527.db2.gz NVQUMWYWXPTMMG-KSSFIOAISA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC2CCCCC2)C1 ZINC001266344816 1176352467 /nfs/dbraw/zinc/35/24/67/1176352467.db2.gz MLBQZSLBOFCSHR-QGZVFWFLSA-N 1 2 349.519 2.476 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC2CCCCC2)C1 ZINC001266344816 1176352476 /nfs/dbraw/zinc/35/24/76/1176352476.db2.gz MLBQZSLBOFCSHR-QGZVFWFLSA-N 1 2 349.519 2.476 20 30 EEEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(F)c(F)c3)C2)nc1 ZINC001032135001 1192765312 /nfs/dbraw/zinc/76/53/12/1192765312.db2.gz GDJXRFJDEYCEJL-UHFFFAOYSA-N 1 2 341.361 2.203 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC000945024260 1193330394 /nfs/dbraw/zinc/33/03/94/1193330394.db2.gz FDKMQURMMWNOFI-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC23CCC3)cc1C#N ZINC001271891769 1186586387 /nfs/dbraw/zinc/58/63/87/1186586387.db2.gz HKZCKMAQUMUVNV-SOLBZPMBSA-N 1 2 338.455 2.262 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC23CCC3)cc1C#N ZINC001271891769 1186586393 /nfs/dbraw/zinc/58/63/93/1186586393.db2.gz HKZCKMAQUMUVNV-SOLBZPMBSA-N 1 2 338.455 2.262 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)[nH]n1 ZINC001088482867 1187008634 /nfs/dbraw/zinc/00/86/34/1187008634.db2.gz DFQVKSTZDGTDPE-WBMJQRKESA-N 1 2 341.390 2.122 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)[nH]n1 ZINC001088482867 1187008640 /nfs/dbraw/zinc/00/86/40/1187008640.db2.gz DFQVKSTZDGTDPE-WBMJQRKESA-N 1 2 341.390 2.122 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1c(Cl)cnn1C ZINC001482598549 1187324045 /nfs/dbraw/zinc/32/40/45/1187324045.db2.gz JGIBIRJFQWMERJ-UHFFFAOYSA-N 1 2 345.834 2.149 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1c(Cl)cnn1C ZINC001482598549 1187324050 /nfs/dbraw/zinc/32/40/50/1187324050.db2.gz JGIBIRJFQWMERJ-UHFFFAOYSA-N 1 2 345.834 2.149 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1csc(C)n1)C2 ZINC001272773801 1193491534 /nfs/dbraw/zinc/49/15/34/1193491534.db2.gz HNXUDPMSOWIURD-QGZVFWFLSA-N 1 2 335.473 2.079 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1csc(C)n1)C2 ZINC001272773801 1193491535 /nfs/dbraw/zinc/49/15/35/1193491535.db2.gz HNXUDPMSOWIURD-QGZVFWFLSA-N 1 2 335.473 2.079 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4n(n3)CCCC4)[C@@H]2C1 ZINC001075923313 1187910051 /nfs/dbraw/zinc/91/00/51/1187910051.db2.gz GOOHPVDLXPIKEC-XJKSGUPXSA-N 1 2 334.851 2.118 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4n(n3)CCCC4)[C@@H]2C1 ZINC001075923313 1187910055 /nfs/dbraw/zinc/91/00/55/1187910055.db2.gz GOOHPVDLXPIKEC-XJKSGUPXSA-N 1 2 334.851 2.118 20 30 EEEDLO Cc1cncc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000842023529 1188234819 /nfs/dbraw/zinc/23/48/19/1188234819.db2.gz DVNMAERWIHPGNS-UHFFFAOYSA-N 1 2 340.427 2.059 20 30 EEEDLO CC(C)(C)C#CC(=O)NCC[NH2+]Cc1nc(-c2ccc(F)cc2)no1 ZINC001126915597 1188655861 /nfs/dbraw/zinc/65/58/61/1188655861.db2.gz GMCSJCDOKVTVSE-UHFFFAOYSA-N 1 2 344.390 2.131 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cncc(Cl)c1)C2 ZINC001272855979 1193579136 /nfs/dbraw/zinc/57/91/36/1193579136.db2.gz JNYZEFUBRSLUSR-SFHVURJKSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cncc(Cl)c1)C2 ZINC001272855979 1193579139 /nfs/dbraw/zinc/57/91/39/1193579139.db2.gz JNYZEFUBRSLUSR-SFHVURJKSA-N 1 2 349.862 2.362 20 30 EEEDLO CCCN(CCNC(=O)c1cc(C#N)c[nH]1)c1nc(C)[nH+]c(C)c1C ZINC001101133410 1189292040 /nfs/dbraw/zinc/29/20/40/1189292040.db2.gz QGNXLMHXYRFBSX-UHFFFAOYSA-N 1 2 340.431 2.248 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnn(C)c1C(F)(F)F ZINC001483361052 1190399257 /nfs/dbraw/zinc/39/92/57/1190399257.db2.gz ZFWIIRGCPWWZSA-VIFPVBQESA-N 1 2 338.761 2.242 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnn(C)c1C(F)(F)F ZINC001483361052 1190399260 /nfs/dbraw/zinc/39/92/60/1190399260.db2.gz ZFWIIRGCPWWZSA-VIFPVBQESA-N 1 2 338.761 2.242 20 30 EEEDLO C#CCN1C[C@@]2(F)C[N@@H+](Cc3c(C)cc(C)cc3C)C[C@@]2(F)C1=O ZINC001272637559 1190944024 /nfs/dbraw/zinc/94/40/24/1190944024.db2.gz BFDGVYKCYDMFCP-RBUKOAKNSA-N 1 2 332.394 2.319 20 30 EEEDLO C#CCN1C[C@@]2(F)C[N@H+](Cc3c(C)cc(C)cc3C)C[C@@]2(F)C1=O ZINC001272637559 1190944027 /nfs/dbraw/zinc/94/40/27/1190944027.db2.gz BFDGVYKCYDMFCP-RBUKOAKNSA-N 1 2 332.394 2.319 20 30 EEEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1coc3ccccc13)C2 ZINC001272667819 1190997556 /nfs/dbraw/zinc/99/75/56/1190997556.db2.gz WUUMMCWSSGWCHE-UHFFFAOYSA-N 1 2 326.396 2.422 20 30 EEEDLO C=CCN1C[C@@]2(F)C[N@@H+](Cc3cccc4[nH]ccc43)C[C@@]2(F)C1=O ZINC001272687404 1191450211 /nfs/dbraw/zinc/45/02/11/1191450211.db2.gz PJZGFBHLDVWYBJ-ZWKOTPCHSA-N 1 2 331.366 2.428 20 30 EEEDLO C=CCN1C[C@@]2(F)C[N@H+](Cc3cccc4[nH]ccc43)C[C@@]2(F)C1=O ZINC001272687404 1191450213 /nfs/dbraw/zinc/45/02/13/1191450213.db2.gz PJZGFBHLDVWYBJ-ZWKOTPCHSA-N 1 2 331.366 2.428 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCc1cnn2c1C[N@H+](CCCCCC)CC2 ZINC001128602517 1194469680 /nfs/dbraw/zinc/46/96/80/1194469680.db2.gz LJGMRGSHUPOLTF-MRXNPFEDSA-N 1 2 348.491 2.486 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCc1cnn2c1C[N@@H+](CCCCCC)CC2 ZINC001128602517 1194469683 /nfs/dbraw/zinc/46/96/83/1194469683.db2.gz LJGMRGSHUPOLTF-MRXNPFEDSA-N 1 2 348.491 2.486 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cc(=O)c(OC)co3)C2)C1 ZINC001033392501 1194507241 /nfs/dbraw/zinc/50/72/41/1194507241.db2.gz BSNWVSLFRGZEIU-AWEZNQCLSA-N 1 2 346.427 2.037 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@H+](Cc3cc(=O)c(OC)co3)C2)C1 ZINC001033392501 1194507245 /nfs/dbraw/zinc/50/72/45/1194507245.db2.gz BSNWVSLFRGZEIU-AWEZNQCLSA-N 1 2 346.427 2.037 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2nnn(C(C)C)c2C)C1 ZINC001033549566 1194702259 /nfs/dbraw/zinc/70/22/59/1194702259.db2.gz QFVLAKOONBLFAN-ZDUSSCGKSA-N 1 2 325.844 2.066 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2nnn(C(C)C)c2C)C1 ZINC001033549566 1194702265 /nfs/dbraw/zinc/70/22/65/1194702265.db2.gz QFVLAKOONBLFAN-ZDUSSCGKSA-N 1 2 325.844 2.066 20 30 EEEDLO Cc1cnoc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033551456 1194704518 /nfs/dbraw/zinc/70/45/18/1194704518.db2.gz PNDPHWZJOYITFX-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1cnoc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033551456 1194704519 /nfs/dbraw/zinc/70/45/19/1194704519.db2.gz PNDPHWZJOYITFX-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1CC[NH+](Cc2nccs2)CC1 ZINC001005258206 1195019034 /nfs/dbraw/zinc/01/90/34/1195019034.db2.gz DENGLNZOQCTJQV-UHFFFAOYSA-N 1 2 329.429 2.079 20 30 EEEDLO CCN(C(=O)c1cc[nH]n1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033766064 1195231607 /nfs/dbraw/zinc/23/16/07/1195231607.db2.gz UVBJPYZHWURVJH-HNNXBMFYSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1cc[nH]n1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033766064 1195231612 /nfs/dbraw/zinc/23/16/12/1195231612.db2.gz UVBJPYZHWURVJH-HNNXBMFYSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1ccn[nH]1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033766064 1195231615 /nfs/dbraw/zinc/23/16/15/1195231615.db2.gz UVBJPYZHWURVJH-HNNXBMFYSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1ccn[nH]1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033766064 1195231620 /nfs/dbraw/zinc/23/16/20/1195231620.db2.gz UVBJPYZHWURVJH-HNNXBMFYSA-N 1 2 341.390 2.157 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]2OCCN(c3cc(C)[nH+]c(CC)n3)[C@@H]2C1 ZINC001090175268 1195597975 /nfs/dbraw/zinc/59/79/75/1195597975.db2.gz APKQWJSVJRCAPO-HZPDHXFCSA-N 1 2 344.459 2.120 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2noc3c2COCC3)C1 ZINC001034046109 1195698081 /nfs/dbraw/zinc/69/80/81/1195698081.db2.gz PZQSSIGLLMOCQE-LBPRGKRZSA-N 1 2 339.823 2.036 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2noc3c2COCC3)C1 ZINC001034046109 1195698084 /nfs/dbraw/zinc/69/80/84/1195698084.db2.gz PZQSSIGLLMOCQE-LBPRGKRZSA-N 1 2 339.823 2.036 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+]2CCCC[C@@H](NC(=O)C(C)C)C2)c1 ZINC001034115180 1195797317 /nfs/dbraw/zinc/79/73/17/1195797317.db2.gz SCOBRDVZHNKXDS-GOSISDBHSA-N 1 2 341.455 2.233 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CCCC[C@@H](NC(=O)C(C)C)C2)c1 ZINC001034115180 1195797319 /nfs/dbraw/zinc/79/73/19/1195797319.db2.gz SCOBRDVZHNKXDS-GOSISDBHSA-N 1 2 341.455 2.233 20 30 EEEDLO C[C@H](c1ncccn1)[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001034158795 1195847074 /nfs/dbraw/zinc/84/70/74/1195847074.db2.gz CZGVVDVHFARZLL-UKRRQHHQSA-N 1 2 338.415 2.022 20 30 EEEDLO C[C@H](c1ncccn1)[N@H+]1CCCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001034158795 1195847077 /nfs/dbraw/zinc/84/70/77/1195847077.db2.gz CZGVVDVHFARZLL-UKRRQHHQSA-N 1 2 338.415 2.022 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)oc1C ZINC001034171521 1195893913 /nfs/dbraw/zinc/89/39/13/1195893913.db2.gz SNVACWGCKFLUPO-HNNXBMFYSA-N 1 2 341.415 2.276 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)oc1C ZINC001034171521 1195893918 /nfs/dbraw/zinc/89/39/18/1195893918.db2.gz SNVACWGCKFLUPO-HNNXBMFYSA-N 1 2 341.415 2.276 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+](Cc3cn(CC)nn3)C2)C1 ZINC001034390028 1196176754 /nfs/dbraw/zinc/17/67/54/1196176754.db2.gz WYSKTMYMXDKHCG-HNNXBMFYSA-N 1 2 331.464 2.125 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+](Cc3cn(CC)nn3)C2)C1 ZINC001034390028 1196176757 /nfs/dbraw/zinc/17/67/57/1196176757.db2.gz WYSKTMYMXDKHCG-HNNXBMFYSA-N 1 2 331.464 2.125 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C(N)=O)cc2)C1 ZINC001034522055 1196350026 /nfs/dbraw/zinc/35/00/26/1196350026.db2.gz OSFQGJRRNZVAAM-OAHLLOKOSA-N 1 2 335.835 2.122 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C(N)=O)cc2)C1 ZINC001034522055 1196350029 /nfs/dbraw/zinc/35/00/29/1196350029.db2.gz OSFQGJRRNZVAAM-OAHLLOKOSA-N 1 2 335.835 2.122 20 30 EEEDLO CCc1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c(C)nn1 ZINC001038557679 1196430987 /nfs/dbraw/zinc/43/09/87/1196430987.db2.gz WGDAASWRPQEWSQ-GOSISDBHSA-N 1 2 349.438 2.223 20 30 EEEDLO CCc1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)c(C)nn1 ZINC001038557679 1196430988 /nfs/dbraw/zinc/43/09/88/1196430988.db2.gz 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C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2sc(C)cc2C)CC[C@H]1C ZINC001132061324 1199250388 /nfs/dbraw/zinc/25/03/88/1199250388.db2.gz SCXKZTOOSYVIJK-UKRRQHHQSA-N 1 2 349.500 2.250 20 30 EEEDLO Cc1nsc(N2CC[NH+](C[C@@H](O)c3cccc(F)c3)CC2)c1C#N ZINC000810063971 1199254847 /nfs/dbraw/zinc/25/48/47/1199254847.db2.gz LKBAKPVNKLUEFZ-MRXNPFEDSA-N 1 2 346.431 2.318 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2ccnc(C)n2)CC[C@H]1C ZINC001132201122 1199444632 /nfs/dbraw/zinc/44/46/32/1199444632.db2.gz WZSHXSAXTUCGQJ-CZUORRHYSA-N 1 2 336.867 2.439 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2ccnc(C)n2)CC[C@H]1C ZINC001132201122 1199444636 /nfs/dbraw/zinc/44/46/36/1199444636.db2.gz WZSHXSAXTUCGQJ-CZUORRHYSA-N 1 2 336.867 2.439 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)NCCCC)C2)C1 ZINC001132274411 1199523432 /nfs/dbraw/zinc/52/34/32/1199523432.db2.gz TVDDRUMOBBWCNH-HOTGVXAUSA-N 1 2 335.492 2.228 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)NCCCC)C2)C1 ZINC001132274411 1199523433 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CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)N(C)CC)C2 ZINC001111269972 1208523408 /nfs/dbraw/zinc/52/34/08/1208523408.db2.gz AOCHYIVPOUHQIA-YSTOQKLRSA-N 1 2 339.483 2.424 20 30 EEEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)N(C)CC)C2 ZINC001111269972 1208523410 /nfs/dbraw/zinc/52/34/10/1208523410.db2.gz AOCHYIVPOUHQIA-YSTOQKLRSA-N 1 2 339.483 2.424 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3nccs3)[C@@H](C)C2)c1 ZINC000947709857 1208681712 /nfs/dbraw/zinc/68/17/12/1208681712.db2.gz IGDSCAYHGYRYJC-XJKSGUPXSA-N 1 2 340.452 2.302 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3nccs3)[C@@H](C)C2)c1 ZINC000947709857 1208681713 /nfs/dbraw/zinc/68/17/13/1208681713.db2.gz IGDSCAYHGYRYJC-XJKSGUPXSA-N 1 2 340.452 2.302 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(CC)nnc1C ZINC000948936713 1209463012 /nfs/dbraw/zinc/46/30/12/1209463012.db2.gz YHWJBRRUFZJQEP-HXUWFJFHSA-N 1 2 348.450 2.310 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc(CC)nnc1C 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ONVZHHBWPBUYAU-UHFFFAOYSA-N 1 2 338.411 2.241 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)nc2-c2ccoc2)C1 ZINC001015385823 1225178666 /nfs/dbraw/zinc/17/86/66/1225178666.db2.gz IJCBOHIKZVAFHV-CYBMUJFWSA-N 1 2 334.807 2.237 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nc2-c2ccoc2)C1 ZINC001015385823 1225178670 /nfs/dbraw/zinc/17/86/70/1225178670.db2.gz IJCBOHIKZVAFHV-CYBMUJFWSA-N 1 2 334.807 2.237 20 30 EEEDLO C=CCC1(C(=O)N2C[C@H]3CN(c4cc[nH+]c(C)n4)C[C@H]3C2)CCC1 ZINC001111306451 1210100067 /nfs/dbraw/zinc/10/00/67/1210100067.db2.gz CXRZYFMTVQINDQ-IYBDPMFKSA-N 1 2 326.444 2.426 20 30 EEEDLO CC(=O)c1cccc(NC(=O)CO[NH+]=C(N)Cc2ccccc2)c1 ZINC000079862449 1210734277 /nfs/dbraw/zinc/73/42/77/1210734277.db2.gz UGLCFALDHHEMRZ-UHFFFAOYSA-N 1 2 325.368 2.359 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)CC1 ZINC000955793519 1213339442 /nfs/dbraw/zinc/33/94/42/1213339442.db2.gz CCRUTHVHGKPZTN-HOCLYGCPSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CCC)CC2)C1 ZINC000956581209 1214102346 /nfs/dbraw/zinc/10/23/46/1214102346.db2.gz NBICTFOTHCRGBF-MRXNPFEDSA-N 1 2 335.492 2.134 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC000956581290 1214103183 /nfs/dbraw/zinc/10/31/83/1214103183.db2.gz KQQOXKCKMVRARZ-MRXNPFEDSA-N 1 2 349.519 2.380 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC000956587802 1214109824 /nfs/dbraw/zinc/10/98/24/1214109824.db2.gz MPLUUMFYWQERDP-SMJSCROFSA-N 1 2 347.503 2.300 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC3CC3)C2)CC1 ZINC000956602623 1214124555 /nfs/dbraw/zinc/12/45/55/1214124555.db2.gz ZWPBIMUKUPBVQU-KRWDZBQOSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@H](C)C(C)C)CC2)C1 ZINC000956618625 1214135051 /nfs/dbraw/zinc/13/50/51/1214135051.db2.gz UAKRBHNSZFFSEA-IAGOWNOFSA-N 1 2 349.519 2.236 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cnc(OC)nc3C)C2)CC1 ZINC001015660060 1225520508 /nfs/dbraw/zinc/52/05/08/1225520508.db2.gz QNMWUYSTQOJRRF-QGZVFWFLSA-N 1 2 344.459 2.231 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cnc(OC)nc3C)C2)CC1 ZINC001015660060 1225520513 /nfs/dbraw/zinc/52/05/13/1225520513.db2.gz QNMWUYSTQOJRRF-QGZVFWFLSA-N 1 2 344.459 2.231 20 30 EEEDLO CCC[C@@H](OC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114669330 1214673857 /nfs/dbraw/zinc/67/38/57/1214673857.db2.gz RYZIWXGYZZGFFV-XDNAFOTISA-N 1 2 345.418 2.059 20 30 EEEDLO CCC[C@@H](OC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114669330 1214673862 /nfs/dbraw/zinc/67/38/62/1214673862.db2.gz RYZIWXGYZZGFFV-XDNAFOTISA-N 1 2 345.418 2.059 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c[nH]nc2-c2cccnc2)C1 ZINC000956960559 1214706022 /nfs/dbraw/zinc/70/60/22/1214706022.db2.gz HZDNXGRDYPSJHP-UHFFFAOYSA-N 1 2 325.416 2.194 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000957177952 1214917403 /nfs/dbraw/zinc/91/74/03/1214917403.db2.gz SSRATPNCCSOKON-IBGZPJMESA-N 1 2 340.427 2.496 20 30 EEEDLO C=CCCCC(=O)N1C[C@@H](CNc2nc(N(C)C)nc(C)[nH+]2)C[C@H]1C ZINC001114697655 1215011481 /nfs/dbraw/zinc/01/14/81/1215011481.db2.gz PHBMJZPTCWVCAW-UKRRQHHQSA-N 1 2 346.479 2.251 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@H]21 ZINC001114727508 1215119601 /nfs/dbraw/zinc/11/96/01/1215119601.db2.gz VSAOOZAVRGHFIJ-KMANFZQXSA-N 1 2 331.464 2.008 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@H]21 ZINC001114727508 1215119604 /nfs/dbraw/zinc/11/96/04/1215119604.db2.gz VSAOOZAVRGHFIJ-KMANFZQXSA-N 1 2 331.464 2.008 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3Cc4cccnc4C3)CC2)cc1 ZINC000957464497 1215142601 /nfs/dbraw/zinc/14/26/01/1215142601.db2.gz CQIDURPJAMVFRV-LJQANCHMSA-N 1 2 346.434 2.012 20 30 EEEDLO C=C1CCC(C(=O)N[C@]2(C)CCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC000957507731 1215173831 /nfs/dbraw/zinc/17/38/31/1215173831.db2.gz WRNNGMQTVYVCET-LJQANCHMSA-N 1 2 344.459 2.196 20 30 EEEDLO C=C1CCC(C(=O)N[C@]2(C)CCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC000957507731 1215173833 /nfs/dbraw/zinc/17/38/33/1215173833.db2.gz WRNNGMQTVYVCET-LJQANCHMSA-N 1 2 344.459 2.196 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csnc3OC)C[C@H]21 ZINC001114791708 1215307066 /nfs/dbraw/zinc/30/70/66/1215307066.db2.gz JKWIVPREJMWGFI-CFAJVAMVSA-N 1 2 335.473 2.300 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csnc3OC)C[C@H]21 ZINC001114791708 1215307069 /nfs/dbraw/zinc/30/70/69/1215307069.db2.gz JKWIVPREJMWGFI-CFAJVAMVSA-N 1 2 335.473 2.300 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nnc(C(C)C)o3)C[C@H]21 ZINC001114792459 1215308306 /nfs/dbraw/zinc/30/83/06/1215308306.db2.gz SXNFWPHYZCSCLM-VAGZCVSGSA-N 1 2 332.448 2.342 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C(C)C)o3)C[C@H]21 ZINC001114792459 1215308307 /nfs/dbraw/zinc/30/83/07/1215308307.db2.gz SXNFWPHYZCSCLM-VAGZCVSGSA-N 1 2 332.448 2.342 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001114807300 1215410707 /nfs/dbraw/zinc/41/07/07/1215410707.db2.gz URAZOKPIHWKATR-BPLDGKMQSA-N 1 2 346.479 2.155 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C(F)F ZINC001114817299 1215512003 /nfs/dbraw/zinc/51/20/03/1215512003.db2.gz SKDZUFKLTATGGT-MYJAWHEDSA-N 1 2 337.208 2.233 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C(F)F ZINC001114817299 1215512007 /nfs/dbraw/zinc/51/20/07/1215512007.db2.gz SKDZUFKLTATGGT-MYJAWHEDSA-N 1 2 337.208 2.233 20 30 EEEDLO C#Cc1ccccc1CC(=O)NCCCN(CC)c1cc[nH+]c(C)n1 ZINC001095899436 1215751560 /nfs/dbraw/zinc/75/15/60/1215751560.db2.gz CSGGBIUNCDDKJV-UHFFFAOYSA-N 1 2 336.439 2.342 20 30 EEEDLO CC(C)C[C@H](O)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000303231931 1215773867 /nfs/dbraw/zinc/77/38/67/1215773867.db2.gz VZASSMYIESSRQW-ZDUSSCGKSA-N 1 2 342.443 2.053 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(CC)c(CC)o2)C1 ZINC000958595894 1215787806 /nfs/dbraw/zinc/78/78/06/1215787806.db2.gz VONKHOLPBOUEII-KBPBESRZSA-N 1 2 340.851 2.179 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(CC)c(CC)o2)C1 ZINC000958595894 1215787810 /nfs/dbraw/zinc/78/78/10/1215787810.db2.gz VONKHOLPBOUEII-KBPBESRZSA-N 1 2 340.851 2.179 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2nc(C)no2)cc1 ZINC000960080416 1216342948 /nfs/dbraw/zinc/34/29/48/1216342948.db2.gz YEMRJVDMZJFMJF-KRWDZBQOSA-N 1 2 338.411 2.144 20 30 EEEDLO CO[C@@H](C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000960454978 1216593763 /nfs/dbraw/zinc/59/37/63/1216593763.db2.gz BAPJSDADHQFFEB-SUMWQHHRSA-N 1 2 333.407 2.155 20 30 EEEDLO CO[C@@H](C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000960454978 1216593769 /nfs/dbraw/zinc/59/37/69/1216593769.db2.gz BAPJSDADHQFFEB-SUMWQHHRSA-N 1 2 333.407 2.155 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1noc2c1CCCC2 ZINC000960495552 1216628818 /nfs/dbraw/zinc/62/88/18/1216628818.db2.gz QHLLMNQVOLXWRY-ZIAGYGMSSA-N 1 2 330.432 2.136 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1noc2c1CCCC2 ZINC000960495552 1216628821 /nfs/dbraw/zinc/62/88/21/1216628821.db2.gz QHLLMNQVOLXWRY-ZIAGYGMSSA-N 1 2 330.432 2.136 20 30 EEEDLO CCc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(C)o1 ZINC001015828914 1225717013 /nfs/dbraw/zinc/71/70/13/1225717013.db2.gz FAXWRMRYUCUCRY-INIZCTEOSA-N 1 2 338.411 2.421 20 30 EEEDLO CCc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(C)o1 ZINC001015828914 1225717018 /nfs/dbraw/zinc/71/70/18/1225717018.db2.gz FAXWRMRYUCUCRY-INIZCTEOSA-N 1 2 338.411 2.421 20 30 EEEDLO N#CCN1CC[C@@H]([C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961191816 1217079340 /nfs/dbraw/zinc/07/93/40/1217079340.db2.gz WGHWLHFWMSQSLO-LSDHHAIUSA-N 1 2 337.427 2.261 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)c(C)o1 ZINC001015900091 1225803895 /nfs/dbraw/zinc/80/38/95/1225803895.db2.gz YWTTYCGQJGNEST-HNNXBMFYSA-N 1 2 342.374 2.307 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)c(C)o1 ZINC001015900091 1225803899 /nfs/dbraw/zinc/80/38/99/1225803899.db2.gz YWTTYCGQJGNEST-HNNXBMFYSA-N 1 2 342.374 2.307 20 30 EEEDLO CC(C)c1nnc(C[N@H+](C)C[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)s1 ZINC001017071719 1218460882 /nfs/dbraw/zinc/46/08/82/1218460882.db2.gz OXYFSIVUNLLGDF-KGLIPLIRSA-N 1 2 349.504 2.492 20 30 EEEDLO CC(C)c1nnc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)s1 ZINC001017071719 1218460884 /nfs/dbraw/zinc/46/08/84/1218460884.db2.gz OXYFSIVUNLLGDF-KGLIPLIRSA-N 1 2 349.504 2.492 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cnccn1 ZINC000964776476 1218613776 /nfs/dbraw/zinc/61/37/76/1218613776.db2.gz UOZDCQHPWBIJLP-MLGOLLRUSA-N 1 2 341.440 2.050 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cnccn1 ZINC000964776476 1218613779 /nfs/dbraw/zinc/61/37/79/1218613779.db2.gz UOZDCQHPWBIJLP-MLGOLLRUSA-N 1 2 341.440 2.050 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000965172423 1218940242 /nfs/dbraw/zinc/94/02/42/1218940242.db2.gz TZXYZVPRKWAFGC-OAHLLOKOSA-N 1 2 344.459 2.196 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](NC(=O)C(C)C)C2)c1 ZINC000965244669 1218984593 /nfs/dbraw/zinc/98/45/93/1218984593.db2.gz IVVISJLNAOVHFP-QAPCUYQASA-N 1 2 341.455 2.089 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](NC(=O)C(C)C)C2)c1 ZINC000965244669 1218984595 /nfs/dbraw/zinc/98/45/95/1218984595.db2.gz IVVISJLNAOVHFP-QAPCUYQASA-N 1 2 341.455 2.089 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)c1ccon1 ZINC000965329030 1219024953 /nfs/dbraw/zinc/02/49/53/1219024953.db2.gz WVLBHQHIKWJQDB-PXAZEXFGSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)c1ccon1 ZINC000965329030 1219024957 /nfs/dbraw/zinc/02/49/57/1219024957.db2.gz WVLBHQHIKWJQDB-PXAZEXFGSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)c1cn[nH]c1 ZINC000965376667 1219045099 /nfs/dbraw/zinc/04/50/99/1219045099.db2.gz ZKEOFPLOFLEZBU-SJCJKPOMSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)c1cn[nH]c1 ZINC000965376667 1219045102 /nfs/dbraw/zinc/04/51/02/1219045102.db2.gz ZKEOFPLOFLEZBU-SJCJKPOMSA-N 1 2 341.390 2.061 20 30 EEEDLO Cc1ocnc1C(=O)N[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1C ZINC000965422701 1219069155 /nfs/dbraw/zinc/06/91/55/1219069155.db2.gz ZKUXNVGIAUSMGZ-YJBOKZPZSA-N 1 2 337.423 2.475 20 30 EEEDLO Cc1ocnc1C(=O)N[C@H]1C[N@H+](CC#Cc2ccccc2)CC[C@@H]1C ZINC000965422701 1219069160 /nfs/dbraw/zinc/06/91/60/1219069160.db2.gz ZKUXNVGIAUSMGZ-YJBOKZPZSA-N 1 2 337.423 2.475 20 30 EEEDLO Cc1ncoc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000965851969 1219291339 /nfs/dbraw/zinc/29/13/39/1219291339.db2.gz PXKBXWYWCMJPAJ-DYVFJYSZSA-N 1 2 338.411 2.495 20 30 EEEDLO Cc1ncoc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000965851969 1219291341 /nfs/dbraw/zinc/29/13/41/1219291341.db2.gz PXKBXWYWCMJPAJ-DYVFJYSZSA-N 1 2 338.411 2.495 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2cncc(F)c2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000965916835 1219355862 /nfs/dbraw/zinc/35/58/62/1219355862.db2.gz LSTHIMPOGFQMSD-PXAZEXFGSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000965916835 1219355867 /nfs/dbraw/zinc/35/58/67/1219355867.db2.gz LSTHIMPOGFQMSD-PXAZEXFGSA-N 1 2 341.390 2.061 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1C ZINC000965984558 1219420939 /nfs/dbraw/zinc/42/09/39/1219420939.db2.gz FYTUQCILBPXLCQ-SUMWQHHRSA-N 1 2 337.427 2.230 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1C ZINC000965984558 1219420942 /nfs/dbraw/zinc/42/09/42/1219420942.db2.gz FYTUQCILBPXLCQ-SUMWQHHRSA-N 1 2 337.427 2.230 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3nnc(C)n3c2)C1 ZINC000967089190 1220264230 /nfs/dbraw/zinc/26/42/30/1220264230.db2.gz QQGRCFOCIWYQQN-XHDPSFHLSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3nnc(C)n3c2)C1 ZINC000967089190 1220264234 /nfs/dbraw/zinc/26/42/34/1220264234.db2.gz QQGRCFOCIWYQQN-XHDPSFHLSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ncnc3[nH]ccc32)C1 ZINC000967255230 1220355755 /nfs/dbraw/zinc/35/57/55/1220355755.db2.gz IMFZWDYFAPIJHH-GWCFXTLKSA-N 1 2 333.823 2.102 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ncnc3[nH]ccc32)C1 ZINC000967255230 1220355758 /nfs/dbraw/zinc/35/57/58/1220355758.db2.gz IMFZWDYFAPIJHH-GWCFXTLKSA-N 1 2 333.823 2.102 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc(Cl)n2C)C1 ZINC000967331762 1220421724 /nfs/dbraw/zinc/42/17/24/1220421724.db2.gz CPUBRMFWSQJZCY-ONGXEEELSA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnc(Cl)n2C)C1 ZINC000967331762 1220421725 /nfs/dbraw/zinc/42/17/25/1220421725.db2.gz CPUBRMFWSQJZCY-ONGXEEELSA-N 1 2 331.247 2.266 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)nc1 ZINC001016023703 1225968105 /nfs/dbraw/zinc/96/81/05/1225968105.db2.gz KRJASKMIRDEOSZ-QGZVFWFLSA-N 1 2 348.381 2.078 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)nc1 ZINC001016023703 1225968110 /nfs/dbraw/zinc/96/81/10/1225968110.db2.gz KRJASKMIRDEOSZ-QGZVFWFLSA-N 1 2 348.381 2.078 20 30 EEEDLO C[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1NC(=O)c1cnco1 ZINC000967557488 1220625431 /nfs/dbraw/zinc/62/54/31/1220625431.db2.gz IISWBINJUMQIFN-PBHICJAKSA-N 1 2 341.386 2.306 20 30 EEEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1NC(=O)c1cnco1 ZINC000967557488 1220625435 /nfs/dbraw/zinc/62/54/35/1220625435.db2.gz IISWBINJUMQIFN-PBHICJAKSA-N 1 2 341.386 2.306 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3ncn(C)c3n2)C1 ZINC000968327885 1221212540 /nfs/dbraw/zinc/21/25/40/1221212540.db2.gz UFWSMOMERAEOPZ-NHYWBVRUSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3ncn(C)c3n2)C1 ZINC000968327885 1221212544 /nfs/dbraw/zinc/21/25/44/1221212544.db2.gz UFWSMOMERAEOPZ-NHYWBVRUSA-N 1 2 347.850 2.161 20 30 EEEDLO Cc1nccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@H]2C)n1 ZINC000968665117 1221475414 /nfs/dbraw/zinc/47/54/14/1221475414.db2.gz NFCVFKXLDYPWRO-AUUYWEPGSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1nccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)CC[C@H]2C)n1 ZINC000968665117 1221475418 /nfs/dbraw/zinc/47/54/18/1221475418.db2.gz NFCVFKXLDYPWRO-AUUYWEPGSA-N 1 2 349.438 2.297 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H]2CCCCC[N@@H+]2Cc2ccon2)[nH]1 ZINC000968809685 1221588550 /nfs/dbraw/zinc/58/85/50/1221588550.db2.gz QTZYLPGQGBHDOK-OAHLLOKOSA-N 1 2 327.388 2.049 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H]2CCCCC[N@H+]2Cc2ccon2)[nH]1 ZINC000968809685 1221588553 /nfs/dbraw/zinc/58/85/53/1221588553.db2.gz QTZYLPGQGBHDOK-OAHLLOKOSA-N 1 2 327.388 2.049 20 30 EEEDLO C=C(Br)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ncc[nH]1 ZINC000968850276 1221620598 /nfs/dbraw/zinc/62/05/98/1221620598.db2.gz UJAAMJXUYSTREP-LBPRGKRZSA-N 1 2 341.253 2.293 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1cnn(CC)n1 ZINC000968846818 1221618837 /nfs/dbraw/zinc/61/88/37/1221618837.db2.gz PLQZGPCKWZFAEE-ZDUSSCGKSA-N 1 2 325.844 2.025 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1cnn(CC)n1 ZINC000968846818 1221618842 /nfs/dbraw/zinc/61/88/42/1221618842.db2.gz PLQZGPCKWZFAEE-ZDUSSCGKSA-N 1 2 325.844 2.025 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1ncc[nH]1 ZINC000968850276 1221620596 /nfs/dbraw/zinc/62/05/96/1221620596.db2.gz UJAAMJXUYSTREP-LBPRGKRZSA-N 1 2 341.253 2.293 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCCCCN3CC#N)ccn12 ZINC000968859905 1221628920 /nfs/dbraw/zinc/62/89/20/1221628920.db2.gz TWVBOVQMELQSBZ-MRXNPFEDSA-N 1 2 325.416 2.141 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)nn1C ZINC001006856589 1221983377 /nfs/dbraw/zinc/98/33/77/1221983377.db2.gz NVNDMPYUIVQJDW-CYBMUJFWSA-N 1 2 343.456 2.056 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)nn1C ZINC001006856589 1221983382 /nfs/dbraw/zinc/98/33/82/1221983382.db2.gz NVNDMPYUIVQJDW-CYBMUJFWSA-N 1 2 343.456 2.056 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCCCO1 ZINC001007125502 1222103328 /nfs/dbraw/zinc/10/33/28/1222103328.db2.gz ZVLYCYRYSAMBQZ-OALUTQOASA-N 1 2 344.430 2.327 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCCCO1 ZINC001007125502 1222103331 /nfs/dbraw/zinc/10/33/31/1222103331.db2.gz ZVLYCYRYSAMBQZ-OALUTQOASA-N 1 2 344.430 2.327 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001016113090 1226095852 /nfs/dbraw/zinc/09/58/52/1226095852.db2.gz HQUQJXICFJJEAV-SFHVURJKSA-N 1 2 337.423 2.206 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001016113090 1226095854 /nfs/dbraw/zinc/09/58/54/1226095854.db2.gz HQUQJXICFJJEAV-SFHVURJKSA-N 1 2 337.423 2.206 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2cnn3c2CCC3)C1 ZINC001007462146 1222241802 /nfs/dbraw/zinc/24/18/02/1222241802.db2.gz AZTNCVNIHRVNEK-KRWDZBQOSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2cnn3c2CCC3)C1 ZINC001007462146 1222241804 /nfs/dbraw/zinc/24/18/04/1222241804.db2.gz AZTNCVNIHRVNEK-KRWDZBQOSA-N 1 2 349.438 2.095 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC001007517497 1222272049 /nfs/dbraw/zinc/27/20/49/1222272049.db2.gz KDPUARNBZJSDGV-OAHLLOKOSA-N 1 2 347.846 2.057 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)C1 ZINC001007517497 1222272054 /nfs/dbraw/zinc/27/20/54/1222272054.db2.gz KDPUARNBZJSDGV-OAHLLOKOSA-N 1 2 347.846 2.057 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cncnc1C1CC1 ZINC001016144563 1226127759 /nfs/dbraw/zinc/12/77/59/1226127759.db2.gz ICNQVRSZZURYRP-GOSISDBHSA-N 1 2 346.434 2.210 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cncnc1C1CC1 ZINC001016144563 1226127761 /nfs/dbraw/zinc/12/77/61/1226127761.db2.gz ICNQVRSZZURYRP-GOSISDBHSA-N 1 2 346.434 2.210 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@](CO)(Nc2cc[nH+]c(C)n2)C1 ZINC001066920314 1222816807 /nfs/dbraw/zinc/81/68/07/1222816807.db2.gz PGZWPWKBLBYRKP-ROUUACIJSA-N 1 2 332.448 2.153 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC001008559565 1222926669 /nfs/dbraw/zinc/92/66/69/1222926669.db2.gz OYZQYZCSFRSZSB-XHSDSOJGSA-N 1 2 349.500 2.432 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nc(C)c(C)s2)C1 ZINC001008559565 1222926671 /nfs/dbraw/zinc/92/66/71/1222926671.db2.gz OYZQYZCSFRSZSB-XHSDSOJGSA-N 1 2 349.500 2.432 20 30 EEEDLO C[C@@]1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)CCOC1 ZINC001009006157 1223110499 /nfs/dbraw/zinc/11/04/99/1223110499.db2.gz XGIFIDSLUFPSGJ-QFBILLFUSA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)CCOC1 ZINC001009006157 1223110501 /nfs/dbraw/zinc/11/05/01/1223110501.db2.gz XGIFIDSLUFPSGJ-QFBILLFUSA-N 1 2 345.418 2.205 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001009548996 1223282028 /nfs/dbraw/zinc/28/20/28/1223282028.db2.gz BMGXPGZLFIBVOR-CYBMUJFWSA-N 1 2 345.274 2.486 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2nc(C)c(Cl)c2C)C1 ZINC001009548996 1223282029 /nfs/dbraw/zinc/28/20/29/1223282029.db2.gz BMGXPGZLFIBVOR-CYBMUJFWSA-N 1 2 345.274 2.486 20 30 EEEDLO Cn1cccc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010239645 1223622443 /nfs/dbraw/zinc/62/24/43/1223622443.db2.gz CJHRLIYJQVSHLG-QGZVFWFLSA-N 1 2 325.387 2.020 20 30 EEEDLO Cn1cccc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010239645 1223622447 /nfs/dbraw/zinc/62/24/47/1223622447.db2.gz CJHRLIYJQVSHLG-QGZVFWFLSA-N 1 2 325.387 2.020 20 30 EEEDLO Cc1cccnc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010482498 1223741921 /nfs/dbraw/zinc/74/19/21/1223741921.db2.gz NAZZKABRPZTORB-GOSISDBHSA-N 1 2 337.398 2.385 20 30 EEEDLO Cc1cccnc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010482498 1223741926 /nfs/dbraw/zinc/74/19/26/1223741926.db2.gz NAZZKABRPZTORB-GOSISDBHSA-N 1 2 337.398 2.385 20 30 EEEDLO 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344.418 2.124 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ncc2ccccn21 ZINC001054046975 1247225727 /nfs/dbraw/zinc/22/57/27/1247225727.db2.gz UQCIIPAZHIVELG-IBGZPJMESA-N 1 2 344.418 2.124 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ncccc1F ZINC001054057529 1247258815 /nfs/dbraw/zinc/25/88/15/1247258815.db2.gz NTDCNWVTUSWYKI-KRWDZBQOSA-N 1 2 337.398 2.401 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ncccc1F ZINC001054057529 1247258820 /nfs/dbraw/zinc/25/88/20/1247258820.db2.gz NTDCNWVTUSWYKI-KRWDZBQOSA-N 1 2 337.398 2.401 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2Cc3ccccc3C[N@H+]2CC#CC)cn1 ZINC001054058725 1247264745 /nfs/dbraw/zinc/26/47/45/1247264745.db2.gz VFTPMZZKNJLJJH-NRFANRHFSA-N 1 2 343.430 2.243 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2Cc3ccccc3C[N@@H+]2CC#CC)cn1 ZINC001054058725 1247264752 /nfs/dbraw/zinc/26/47/52/1247264752.db2.gz VFTPMZZKNJLJJH-NRFANRHFSA-N 1 2 343.430 2.243 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1COc2ccccc21 ZINC001054060857 1247275292 /nfs/dbraw/zinc/27/52/92/1247275292.db2.gz SLCUXCUJLJQDEM-UYAOXDASSA-N 1 2 346.430 2.339 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1COc2ccccc21 ZINC001054060857 1247275302 /nfs/dbraw/zinc/27/53/02/1247275302.db2.gz SLCUXCUJLJQDEM-UYAOXDASSA-N 1 2 346.430 2.339 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3nncs3)CC2)cc1 ZINC001052616500 1247698713 /nfs/dbraw/zinc/69/87/13/1247698713.db2.gz YCMIAEQJDDHYBF-MRXNPFEDSA-N 1 2 340.452 2.304 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3nncs3)CC2)cc1 ZINC001052616500 1247698721 /nfs/dbraw/zinc/69/87/21/1247698721.db2.gz YCMIAEQJDDHYBF-MRXNPFEDSA-N 1 2 340.452 2.304 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCO[C@@H]3C(C)C)cc2C1 ZINC001054267890 1247942525 /nfs/dbraw/zinc/94/25/25/1247942525.db2.gz DKZOVVHALTZCTQ-RTBURBONSA-N 1 2 326.440 2.313 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCO[C@@H]3C(C)C)cc2C1 ZINC001054267890 1247942538 /nfs/dbraw/zinc/94/25/38/1247942538.db2.gz DKZOVVHALTZCTQ-RTBURBONSA-N 1 2 326.440 2.313 20 30 EEEDLO C#CCN(CC(=O)Nc1ccc2[nH+]ccn2c1)C(=O)OC(C)(C)C ZINC000827400551 1247995624 /nfs/dbraw/zinc/99/56/24/1247995624.db2.gz APOLDBWDDPWCNA-UHFFFAOYSA-N 1 2 328.372 2.143 20 30 EEEDLO Cc1nc(N[C@@H](C)[C@@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)cc[nH+]1 ZINC001058002366 1248243453 /nfs/dbraw/zinc/24/34/53/1248243453.db2.gz NEWFPXLNNOLNMJ-LRDDRELGSA-N 1 2 338.415 2.480 20 30 EEEDLO C[C@H](Nc1ccc(C#N)nc1)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001058014801 1248279816 /nfs/dbraw/zinc/27/98/16/1248279816.db2.gz SMPAAAPJAXQBJT-WMLDXEAASA-N 1 2 338.415 2.031 20 30 EEEDLO C=CCC(CC=C)C(=O)NC[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001098069433 1251292613 /nfs/dbraw/zinc/29/26/13/1251292613.db2.gz MEZHTPQBYRVHED-LBPRGKRZSA-N 1 2 328.420 2.048 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cc3n(n2)CCCO3)CC[C@@H]1C ZINC001071677661 1254501473 /nfs/dbraw/zinc/50/14/73/1254501473.db2.gz UYHQACJQEQEEID-QWHCGFSZSA-N 1 2 338.839 2.001 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cc3n(n2)CCCO3)CC[C@@H]1C ZINC001071677661 1254501487 /nfs/dbraw/zinc/50/14/87/1254501487.db2.gz UYHQACJQEQEEID-QWHCGFSZSA-N 1 2 338.839 2.001 20 30 EEEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)C3CC(F)(F)C3)C2)C1 ZINC001072604978 1255259051 /nfs/dbraw/zinc/25/90/51/1255259051.db2.gz VULTZBDWCBXBMP-UHFFFAOYSA-N 1 2 349.219 2.475 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)C3CC(F)(F)C3)C2)C1 ZINC001072604978 1255259056 /nfs/dbraw/zinc/25/90/56/1255259056.db2.gz VULTZBDWCBXBMP-UHFFFAOYSA-N 1 2 349.219 2.475 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)NC1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001073169695 1255742499 /nfs/dbraw/zinc/74/24/99/1255742499.db2.gz CZKJKLQKLLMPAN-HZPDHXFCSA-N 1 2 346.475 2.229 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001074165468 1256764088 /nfs/dbraw/zinc/76/40/88/1256764088.db2.gz RJXLMSILQGVFPT-LSDHHAIUSA-N 1 2 346.475 2.397 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc4[nH]ncc43)C[C@@H]21 ZINC001074310453 1256904716 /nfs/dbraw/zinc/90/47/16/1256904716.db2.gz VPQPJKZBLUHDRH-ZWKOTPCHSA-N 1 2 340.427 2.054 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc4[nH]ncc43)C[C@@H]21 ZINC001074310453 1256904724 /nfs/dbraw/zinc/90/47/24/1256904724.db2.gz VPQPJKZBLUHDRH-ZWKOTPCHSA-N 1 2 340.427 2.054 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc4ccccn4c3)C[C@H]21 ZINC001074351030 1256931059 /nfs/dbraw/zinc/93/10/59/1256931059.db2.gz HJMSTTOGOUFBTF-MOPGFXCFSA-N 1 2 339.439 2.431 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc4ccccn4c3)C[C@H]21 ZINC001074351030 1256931066 /nfs/dbraw/zinc/93/10/66/1256931066.db2.gz HJMSTTOGOUFBTF-MOPGFXCFSA-N 1 2 339.439 2.431 20 30 EEEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3coc(C4CC4)n3)C[C@H]21 ZINC001074354779 1256935939 /nfs/dbraw/zinc/93/59/39/1256935939.db2.gz WAZNIPTUTMVIBT-CVEARBPZSA-N 1 2 331.416 2.043 20 30 EEEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3coc(C4CC4)n3)C[C@H]21 ZINC001074354779 1256935944 /nfs/dbraw/zinc/93/59/44/1256935944.db2.gz WAZNIPTUTMVIBT-CVEARBPZSA-N 1 2 331.416 2.043 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)COc3ccsc3)C[C@@H]21 ZINC001074384885 1256964429 /nfs/dbraw/zinc/96/44/29/1256964429.db2.gz NYAZUDNCQPTKAU-JKSUJKDBSA-N 1 2 336.457 2.005 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)COc3ccsc3)C[C@@H]21 ZINC001074384885 1256964434 /nfs/dbraw/zinc/96/44/34/1256964434.db2.gz NYAZUDNCQPTKAU-JKSUJKDBSA-N 1 2 336.457 2.005 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3ccccc3F)C[C@@H]21 ZINC001074405575 1256993226 /nfs/dbraw/zinc/99/32/26/1256993226.db2.gz TXEXORSNYSBYOP-RBUKOAKNSA-N 1 2 344.430 2.083 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3ccccc3F)C[C@@H]21 ZINC001074405575 1256993232 /nfs/dbraw/zinc/99/32/32/1256993232.db2.gz TXEXORSNYSBYOP-RBUKOAKNSA-N 1 2 344.430 2.083 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3ccc(C)o3)C[C@H]21 ZINC001074412342 1256997515 /nfs/dbraw/zinc/99/75/15/1256997515.db2.gz IVHHTWBJPXBZNV-MSOLQXFVSA-N 1 2 332.444 2.398 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCc3ccc(C)o3)C[C@H]21 ZINC001074412342 1256997523 /nfs/dbraw/zinc/99/75/23/1256997523.db2.gz IVHHTWBJPXBZNV-MSOLQXFVSA-N 1 2 332.444 2.398 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001075037148 1257291497 /nfs/dbraw/zinc/29/14/97/1257291497.db2.gz VQLBCHQGNCRREG-JKSUJKDBSA-N 1 2 344.459 2.032 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001075037148 1257291501 /nfs/dbraw/zinc/29/15/01/1257291501.db2.gz VQLBCHQGNCRREG-JKSUJKDBSA-N 1 2 344.459 2.032 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001075088582 1257355945 /nfs/dbraw/zinc/35/59/45/1257355945.db2.gz KQDDHLQQGQWQPV-HIFRSBDPSA-N 1 2 346.475 2.359 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@](C)(F)CCCC)C2)nn1 ZINC001098688234 1257761036 /nfs/dbraw/zinc/76/10/36/1257761036.db2.gz KEIGVLBAVDYVNQ-WMZOPIPTSA-N 1 2 349.454 2.083 20 30 EEEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cncc(F)c1 ZINC001098981686 1257907220 /nfs/dbraw/zinc/90/72/20/1257907220.db2.gz FCZZYXFHDFVJBU-CZUORRHYSA-N 1 2 332.423 2.487 20 30 EEEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cncc(F)c1 ZINC001098981686 1257907226 /nfs/dbraw/zinc/90/72/26/1257907226.db2.gz FCZZYXFHDFVJBU-CZUORRHYSA-N 1 2 332.423 2.487 20 30 EEEDLO CC#CC[NH2+]Cc1cn(-c2cccc(CNC(=O)C3=CCCC3)c2)nn1 ZINC001099602028 1258252968 /nfs/dbraw/zinc/25/29/68/1258252968.db2.gz MATVAIKDJDCNFC-UHFFFAOYSA-N 1 2 349.438 2.107 20 30 EEEDLO C[C@H](CCNC(=O)CCc1c[nH]c[nH+]1)Nc1cccc(F)c1C#N ZINC001099764850 1258335448 /nfs/dbraw/zinc/33/54/48/1258335448.db2.gz BWXFVXBXIIVCNM-GFCCVEGCSA-N 1 2 329.379 2.360 20 30 EEEDLO C[C@H](CCNC(=O)CCc1c[nH+]c[nH]1)Nc1cccc(F)c1C#N ZINC001099764850 1258335457 /nfs/dbraw/zinc/33/54/57/1258335457.db2.gz BWXFVXBXIIVCNM-GFCCVEGCSA-N 1 2 329.379 2.360 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C[C@@H]1O ZINC001099855119 1258421849 /nfs/dbraw/zinc/42/18/49/1258421849.db2.gz CKRAUWRSGQPBJH-SJORKVTESA-N 1 2 338.398 2.373 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C[C@@H]1O ZINC001099855119 1258421853 /nfs/dbraw/zinc/42/18/53/1258421853.db2.gz CKRAUWRSGQPBJH-SJORKVTESA-N 1 2 338.398 2.373 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C[C@H]1O ZINC001099855781 1258423148 /nfs/dbraw/zinc/42/31/48/1258423148.db2.gz MYWIBEKXURBVHI-IAGOWNOFSA-N 1 2 338.398 2.373 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C[C@H]1O ZINC001099855781 1258423154 /nfs/dbraw/zinc/42/31/54/1258423154.db2.gz MYWIBEKXURBVHI-IAGOWNOFSA-N 1 2 338.398 2.373 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)cs2)C[C@H]1O ZINC001099959226 1258468331 /nfs/dbraw/zinc/46/83/31/1258468331.db2.gz CTAQIKYUMGUVGJ-HZPDHXFCSA-N 1 2 349.500 2.087 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1CC[N@H+](Cc2nc(C)cs2)C[C@H]1O ZINC001099959226 1258468334 /nfs/dbraw/zinc/46/83/34/1258468334.db2.gz CTAQIKYUMGUVGJ-HZPDHXFCSA-N 1 2 349.500 2.087 20 30 EEEDLO CC(C)C1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]2O)CC1 ZINC001099997340 1258482154 /nfs/dbraw/zinc/48/21/54/1258482154.db2.gz 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C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001227273943 1301760725 /nfs/dbraw/zinc/76/07/25/1301760725.db2.gz YZMXVGVCJPPAFT-LBPRGKRZSA-N 1 2 328.416 2.002 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NC1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC001228476632 1302280742 /nfs/dbraw/zinc/28/07/42/1302280742.db2.gz YUMWPNBYHPAXNP-LJQANCHMSA-N 1 2 346.475 2.094 20 30 EEEDLO CC[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)Nc1nc(C)ccc1C#N ZINC001103325924 1302740819 /nfs/dbraw/zinc/74/08/19/1302740819.db2.gz AGRRASGILGBATF-HOCLYGCPSA-N 1 2 340.431 2.416 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1CNc1[nH+]cnc2c1cnn2C ZINC001103820583 1303373929 /nfs/dbraw/zinc/37/39/29/1303373929.db2.gz ZKGOAQBMZNJYOR-UONOGXRCSA-N 1 2 342.447 2.369 20 30 EEEDLO Cc1ccc(F)c(C[N@H+]2CC[C@H]2CN(C)C(=O)CSCC#N)c1 ZINC001230815331 1303478739 /nfs/dbraw/zinc/47/87/39/1303478739.db2.gz NAMNJRIPJYMZPT-HNNXBMFYSA-N 1 2 335.448 2.424 20 30 EEEDLO Cc1ccc(F)c(C[N@@H+]2CC[C@H]2CN(C)C(=O)CSCC#N)c1 ZINC001230815331 1303478742 /nfs/dbraw/zinc/47/87/42/1303478742.db2.gz NAMNJRIPJYMZPT-HNNXBMFYSA-N 1 2 335.448 2.424 20 30 EEEDLO C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)Cc1cccnc1 ZINC001230820179 1303481923 /nfs/dbraw/zinc/48/19/23/1303481923.db2.gz VKVOPCLWJWYEAX-FVQHAEBGSA-N 1 2 349.862 2.035 20 30 EEEDLO C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)Cc1cccnc1 ZINC001230820179 1303481926 /nfs/dbraw/zinc/48/19/26/1303481926.db2.gz VKVOPCLWJWYEAX-FVQHAEBGSA-N 1 2 349.862 2.035 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cccnc1OC ZINC001231094496 1303625765 /nfs/dbraw/zinc/62/57/65/1303625765.db2.gz HCHVUIJNCCRAHD-NVXWUHKLSA-N 1 2 347.459 2.104 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cccnc1OC ZINC001231094496 1303625769 /nfs/dbraw/zinc/62/57/69/1303625769.db2.gz HCHVUIJNCCRAHD-NVXWUHKLSA-N 1 2 347.459 2.104 20 30 EEEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NCc1ccccc1 ZINC001231122671 1303641582 /nfs/dbraw/zinc/64/15/82/1303641582.db2.gz MRLMDIVSJHDSCI-WMZOPIPTSA-N 1 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ZINC001234563298 1304970790 /nfs/dbraw/zinc/97/07/90/1304970790.db2.gz PGNYAKVQZNKFIL-JKSUJKDBSA-N 1 2 337.508 2.282 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)[C@@H](C)OCC(C)C ZINC001234623185 1304990125 /nfs/dbraw/zinc/99/01/25/1304990125.db2.gz TVMBSHGVVGARDZ-CYBMUJFWSA-N 1 2 335.286 2.394 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCNC(=O)[C@@H](C)OCC(C)C ZINC001234623185 1304990129 /nfs/dbraw/zinc/99/01/29/1304990129.db2.gz TVMBSHGVVGARDZ-CYBMUJFWSA-N 1 2 335.286 2.394 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@](C)(OC)c1ccccc1F ZINC001235125608 1305123432 /nfs/dbraw/zinc/12/34/32/1305123432.db2.gz WTEBFRYTCXQKBE-DNVCBOLYSA-N 1 2 332.419 2.243 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@](C)(OC)c1ccccc1F ZINC001235125608 1305123439 /nfs/dbraw/zinc/12/34/39/1305123439.db2.gz WTEBFRYTCXQKBE-DNVCBOLYSA-N 1 2 332.419 2.243 20 30 EEEDLO Cc1nc(NC[C@H](C2CC2)N(C)C(=O)[C@H](C)C#N)c2c([nH+]1)CCCC2 ZINC001115491393 1305215924 /nfs/dbraw/zinc/21/59/24/1305215924.db2.gz JEOFXKIJFLVWHT-SJKOYZFVSA-N 1 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COC(=O)c1ccc(-c2cccc(CN3CC[NH2+]C[C@@H]3C#N)c2)cc1 ZINC001210122976 1325166841 /nfs/dbraw/zinc/16/68/41/1325166841.db2.gz XDHUXKSUORZOBQ-IBGZPJMESA-N 1 2 335.407 2.438 20 30 EEEDLO N#Cc1cccc(NC(=O)CCn2c3ccccc3[nH+]c2NCCO)c1 ZINC001322133601 1333215057 /nfs/dbraw/zinc/21/50/57/1333215057.db2.gz OGLMLSJQHXCCIE-UHFFFAOYSA-N 1 2 349.394 2.341 20 30 EEEDLO C=CC[C@@H]([NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)OCC ZINC001327951423 1334368962 /nfs/dbraw/zinc/36/89/62/1334368962.db2.gz GHFMKANRGGXUPL-XJKSGUPXSA-N 1 2 339.457 2.291 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)c4ncccc34)n2C)CC1 ZINC001339713933 1337058939 /nfs/dbraw/zinc/05/89/39/1337058939.db2.gz RZDSTOXJBRCNCF-UHFFFAOYSA-N 1 2 346.438 2.094 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001351616917 1337831994 /nfs/dbraw/zinc/83/19/94/1337831994.db2.gz UQFKDBGVMRANFM-ZACQAIPSSA-N 1 2 345.491 2.484 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001351616917 1337831997 /nfs/dbraw/zinc/83/19/97/1337831997.db2.gz UQFKDBGVMRANFM-ZACQAIPSSA-N 1 2 345.491 2.484 20 30 EEEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H](CF)C1 ZINC001355976754 1338777336 /nfs/dbraw/zinc/77/73/36/1338777336.db2.gz OAPJJGYSQHXUJH-AWEZNQCLSA-N 1 2 332.427 2.364 20 30 EEEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCc2ccccc2CC1 ZINC001356152654 1338801435 /nfs/dbraw/zinc/80/14/35/1338801435.db2.gz JJQDILYQMWAGNH-UHFFFAOYSA-N 1 2 348.454 2.394 20 30 EEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1CCSC1=S ZINC001588649195 1348927564 /nfs/dbraw/zinc/92/75/64/1348927564.db2.gz WHUNINYBUNNMMX-UHFFFAOYSA-N 1 2 346.485 2.146 20 30 EEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1CCSC1=S ZINC001588649195 1348927566 /nfs/dbraw/zinc/92/75/66/1348927566.db2.gz WHUNINYBUNNMMX-UHFFFAOYSA-N 1 2 346.485 2.146 20 30 EEEDLO C=CCOc1ccc(C[NH2+]Cc2nc(-c3nn[nH]n3)cs2)cc1 ZINC001588689341 1348929396 /nfs/dbraw/zinc/92/93/96/1348929396.db2.gz FOVPWXCOONQZOB-UHFFFAOYSA-N 1 2 328.401 2.178 20 30 EEEDLO Cn1cc(C[N@@H+]2CCC[C@@H](C#N)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC001592573830 1349660805 /nfs/dbraw/zinc/66/08/05/1349660805.db2.gz UZBGVAGAZFCOMM-ZDUSSCGKSA-N 1 2 348.414 2.003 20 30 EEEDLO Cn1cc(C[N@H+]2CCC[C@@H](C#N)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC001592573830 1349660809 /nfs/dbraw/zinc/66/08/09/1349660809.db2.gz UZBGVAGAZFCOMM-ZDUSSCGKSA-N 1 2 348.414 2.003 20 30 EEEDLO Cc1ccnc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3C#N)CC2(C)C)n1 ZINC000974498130 1366998968 /nfs/dbraw/zinc/99/89/68/1366998968.db2.gz GNHQSEMRTBYKCB-KRWDZBQOSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1ccnc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3C#N)CC2(C)C)n1 ZINC000974498130 1366998985 /nfs/dbraw/zinc/99/89/85/1366998985.db2.gz GNHQSEMRTBYKCB-KRWDZBQOSA-N 1 2 349.438 2.297 20 30 EEEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@H+](Cc3cc4n(n3)CCC4)C[C@H]21 ZINC001188909754 1368329614 /nfs/dbraw/zinc/32/96/14/1368329614.db2.gz YTIPQOWGKBCYBT-QFBILLFUSA-N 1 2 340.471 2.056 20 30 EEEDLO CC#CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc4n(n3)CCC4)C[C@H]21 ZINC001188909754 1368329620 /nfs/dbraw/zinc/32/96/20/1368329620.db2.gz YTIPQOWGKBCYBT-QFBILLFUSA-N 1 2 340.471 2.056 20 30 EEEDLO COCCC(=O)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC001194621795 1368492857 /nfs/dbraw/zinc/49/28/57/1368492857.db2.gz IHJWSYCVUVERDU-UHFFFAOYSA-N 1 2 334.847 2.262 20 30 EEEDLO COCCC(=O)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC001194621795 1368492860 /nfs/dbraw/zinc/49/28/60/1368492860.db2.gz IHJWSYCVUVERDU-UHFFFAOYSA-N 1 2 334.847 2.262 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H](C)OCC)CC1 ZINC001490398434 1369208072 /nfs/dbraw/zinc/20/80/72/1369208072.db2.gz IKQVVPRQIANFKE-LBPRGKRZSA-N 1 2 333.270 2.243 20 30 EEEDLO C#CCN(C(=O)[C@H]1CC1(C)C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110621242 1369235553 /nfs/dbraw/zinc/23/55/53/1369235553.db2.gz RCIYONAUYCPXBJ-MRXNPFEDSA-N 1 2 326.444 2.262 20 30 EEEDLO C#CCN(C(=O)[C@@H]1CC1(C)C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110621241 1369235733 /nfs/dbraw/zinc/23/57/33/1369235733.db2.gz RCIYONAUYCPXBJ-INIZCTEOSA-N 1 2 326.444 2.262 20 30 EEEDLO Cc1cc(N2CCC(CNC(=O)[C@H](C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC001095349569 1369665128 /nfs/dbraw/zinc/66/51/28/1369665128.db2.gz ZLTBVIJVDJHZFT-CYBMUJFWSA-N 1 2 329.448 2.401 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)cnn1 ZINC001095357116 1369698994 /nfs/dbraw/zinc/69/89/94/1369698994.db2.gz AUXJUFBUMSVRBE-AABGKKOBSA-N 1 2 346.434 2.172 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)cnn1 ZINC001095357116 1369698997 /nfs/dbraw/zinc/69/89/97/1369698997.db2.gz AUXJUFBUMSVRBE-AABGKKOBSA-N 1 2 346.434 2.172 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001071064886 1370383378 /nfs/dbraw/zinc/38/33/78/1370383378.db2.gz QSOBLVSBHBXXAZ-LSDHHAIUSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001071064886 1370383385 /nfs/dbraw/zinc/38/33/85/1370383385.db2.gz QSOBLVSBHBXXAZ-LSDHHAIUSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001072226036 1370649315 /nfs/dbraw/zinc/64/93/15/1370649315.db2.gz KKXMGJHOIZUOEA-ZBFHGGJFSA-N 1 2 346.475 2.246 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[N@H+](Cc2nc(C)c(C)s2)C[C@@H]1O ZINC001099959792 1371012364 /nfs/dbraw/zinc/01/23/64/1371012364.db2.gz JKABLWCJDZOMID-HOTGVXAUSA-N 1 2 349.500 2.005 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc(C)c(C)s2)C[C@@H]1O ZINC001099959792 1371012367 /nfs/dbraw/zinc/01/23/67/1371012367.db2.gz JKABLWCJDZOMID-HOTGVXAUSA-N 1 2 349.500 2.005 20 30 EEEDLO Cc1nc(NC2(CNC(=O)CCc3c[nH]c[nH+]3)CCC2)ccc1C#N ZINC001111920152 1371313120 /nfs/dbraw/zinc/31/31/20/1371313120.db2.gz IGBIKVCQMUWPSJ-UHFFFAOYSA-N 1 2 338.415 2.068 20 30 EEEDLO Cc1nc(NC2(CNC(=O)CCc3c[nH+]c[nH]3)CCC2)ccc1C#N ZINC001111920152 1371313126 /nfs/dbraw/zinc/31/31/26/1371313126.db2.gz IGBIKVCQMUWPSJ-UHFFFAOYSA-N 1 2 338.415 2.068 20 30 EEEDLO Cc1nc(N[C@H](CCNC(=O)c2c[nH]c(C#N)c2)C(C)C)cc[nH+]1 ZINC001115307919 1371565811 /nfs/dbraw/zinc/56/58/11/1371565811.db2.gz FAPFBDPWARNKNH-OAHLLOKOSA-N 1 2 326.404 2.241 20 30 EEEDLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H](CNc1cccc(F)c1C#N)C1CC1 ZINC001115577494 1371678111 /nfs/dbraw/zinc/67/81/11/1371678111.db2.gz WITDOJHXDVXQNN-KRWDZBQOSA-N 1 2 341.390 2.312 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H](CO)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC001122317706 1371962269 /nfs/dbraw/zinc/96/22/69/1371962269.db2.gz CZSSOVOTYUMBAD-CQSZACIVSA-N 1 2 334.464 2.400 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C[C@@H]1C ZINC001123279985 1372115283 /nfs/dbraw/zinc/11/52/83/1372115283.db2.gz KWEXTSNHKPXOOS-JSGCOSHPSA-N 1 2 346.479 2.250 20 30 EEEDLO CC(C)C#CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2noc(C(C)C)n2)C12CCC2 ZINC001202865953 1372418474 /nfs/dbraw/zinc/41/84/74/1372418474.db2.gz FNKCLQOYPBPYMC-CABCVRRESA-N 1 2 344.459 2.369 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(F)(F)C3)n2CC2CC2)CC1 ZINC001347903543 1372975867 /nfs/dbraw/zinc/97/58/67/1372975867.db2.gz KWKMQDWTAHWHAI-OAHLLOKOSA-N 1 2 349.429 2.346 20 30 EEEDLO CCOC(=O)[C@@H]1C2CCC(CC2)[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001365301303 1373695805 /nfs/dbraw/zinc/69/58/05/1373695805.db2.gz XLSXNGXGDQZUSY-KXIUCKCTSA-N 1 2 328.412 2.398 20 30 EEEDLO CCOC(=O)[C@@H]1C2CCC(CC2)[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001365301303 1373695809 /nfs/dbraw/zinc/69/58/09/1373695809.db2.gz XLSXNGXGDQZUSY-KXIUCKCTSA-N 1 2 328.412 2.398 20 30 EEEDLO COCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001365931573 1373776502 /nfs/dbraw/zinc/77/65/02/1373776502.db2.gz ITIZSUAQKYNPBU-MRXNPFEDSA-N 1 2 347.434 2.451 20 30 EEEDLO COCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001365931573 1373776505 /nfs/dbraw/zinc/77/65/05/1373776505.db2.gz ITIZSUAQKYNPBU-MRXNPFEDSA-N 1 2 347.434 2.451 20 30 EEEDLO Cc1ccc(-c2nnc([C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)C#N)o2)cc1 ZINC001366516161 1373931165 /nfs/dbraw/zinc/93/11/65/1373931165.db2.gz AHECIGSMWKPKTG-KGLIPLIRSA-N 1 2 341.415 2.314 20 30 EEEDLO Cc1ccc(-c2nnc([C@H](C)[N@H+](C)CCNC(=O)[C@H](C)C#N)o2)cc1 ZINC001366516161 1373931167 /nfs/dbraw/zinc/93/11/67/1373931167.db2.gz AHECIGSMWKPKTG-KGLIPLIRSA-N 1 2 341.415 2.314 20 30 EEEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)c1cc(F)c[nH]1 ZINC001374518277 1376898106 /nfs/dbraw/zinc/89/81/06/1376898106.db2.gz VTCSINCYRPDXOM-UHFFFAOYSA-N 1 2 332.354 2.369 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)c1cc(F)c[nH]1 ZINC001374518277 1376898110 /nfs/dbraw/zinc/89/81/10/1376898110.db2.gz VTCSINCYRPDXOM-UHFFFAOYSA-N 1 2 332.354 2.369 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cn(CC(F)F)nc1C ZINC001375048098 1377317030 /nfs/dbraw/zinc/31/70/30/1377317030.db2.gz GOBGTRQUXQMNMW-SNVBAGLBSA-N 1 2 334.798 2.259 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cn(CC(F)F)nc1C ZINC001375048098 1377317035 /nfs/dbraw/zinc/31/70/35/1377317035.db2.gz GOBGTRQUXQMNMW-SNVBAGLBSA-N 1 2 334.798 2.259 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccccc1C(=O)N(C)C ZINC001378192144 1379773724 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C=CC[N@H+]1CCO[C@@](C)(CNC(=O)COC/C=C\c2ccccc2)C1 ZINC001108022418 795621258 /nfs/dbraw/zinc/62/12/58/795621258.db2.gz IDEDMMDUMLDTJT-SONCPKABSA-N 1 2 344.455 2.110 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(CC)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001080306769 795808466 /nfs/dbraw/zinc/80/84/66/795808466.db2.gz DYNYCBLPNWPFNF-OAHLLOKOSA-N 1 2 346.475 2.014 20 30 EEEDLO Cc1ccc(C#N)c(NCCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)n1 ZINC001093935837 795829766 /nfs/dbraw/zinc/82/97/66/795829766.db2.gz OFWDUHNMKRKUHT-INIZCTEOSA-N 1 2 340.431 2.274 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nc(C)ncc2Cl)C1 ZINC001080562450 796191933 /nfs/dbraw/zinc/19/19/33/796191933.db2.gz ZDXPQXULPUHNSW-PRHODGIISA-N 1 2 329.231 2.241 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nc(C)ncc2Cl)C1 ZINC001080562450 796191936 /nfs/dbraw/zinc/19/19/36/796191936.db2.gz ZDXPQXULPUHNSW-PRHODGIISA-N 1 2 329.231 2.241 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cncc3[nH]cnc32)[C@@H]1C ZINC000993333727 796410765 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/nfs/dbraw/zinc/77/09/94/800770994.db2.gz HDVKTVVPCUASJL-SFHVURJKSA-N 1 2 337.398 2.419 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CC1(F)F ZINC001085586074 800826909 /nfs/dbraw/zinc/82/69/09/800826909.db2.gz NQFVDBHKKLHMNI-MFKMUULPSA-N 1 2 325.384 2.308 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1CC1(F)F ZINC001085586074 800826913 /nfs/dbraw/zinc/82/69/13/800826913.db2.gz NQFVDBHKKLHMNI-MFKMUULPSA-N 1 2 325.384 2.308 20 30 EEEDLO Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)nn1 ZINC001085589194 800856998 /nfs/dbraw/zinc/85/69/98/800856998.db2.gz GOWIUUYQCVLVAS-CYBMUJFWSA-N 1 2 341.440 2.065 20 30 EEEDLO Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)nn1 ZINC001085589194 800857005 /nfs/dbraw/zinc/85/70/05/800857005.db2.gz GOWIUUYQCVLVAS-CYBMUJFWSA-N 1 2 341.440 2.065 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ocnc1C ZINC001085641649 800956552 /nfs/dbraw/zinc/95/65/52/800956552.db2.gz SHDHUCUOGALUSS-HNNXBMFYSA-N 1 2 328.416 2.317 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ocnc1C ZINC001085641649 800956555 /nfs/dbraw/zinc/95/65/55/800956555.db2.gz SHDHUCUOGALUSS-HNNXBMFYSA-N 1 2 328.416 2.317 20 30 EEEDLO COC1CC(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2F)C1 ZINC001085660033 800999923 /nfs/dbraw/zinc/99/99/23/800999923.db2.gz LGECAJMMTPUQRA-CGZBRXJRSA-N 1 2 345.418 2.155 20 30 EEEDLO COC1CC(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2F)C1 ZINC001085660033 800999927 /nfs/dbraw/zinc/99/99/27/800999927.db2.gz LGECAJMMTPUQRA-CGZBRXJRSA-N 1 2 345.418 2.155 20 30 EEEDLO CCc1nocc1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001085804916 801312498 /nfs/dbraw/zinc/31/24/98/801312498.db2.gz TTYIFIGCMDABAI-INIZCTEOSA-N 1 2 338.411 2.455 20 30 EEEDLO CCc1nocc1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001085804916 801312502 /nfs/dbraw/zinc/31/25/02/801312502.db2.gz TTYIFIGCMDABAI-INIZCTEOSA-N 1 2 338.411 2.455 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2oc(C)nc2C)c1 ZINC001085809674 801330195 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EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001108248522 802356563 /nfs/dbraw/zinc/35/65/63/802356563.db2.gz LHSGGYXXLHLLAR-XLIONFOSSA-N 1 2 328.456 2.329 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2F)[C@H](O)C1 ZINC001090406249 802379961 /nfs/dbraw/zinc/37/99/61/802379961.db2.gz DNHQKJZWKNYZOX-UONOGXRCSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2F)[C@H](O)C1 ZINC001090406249 802379972 /nfs/dbraw/zinc/37/99/72/802379972.db2.gz DNHQKJZWKNYZOX-UONOGXRCSA-N 1 2 347.217 2.397 20 30 EEEDLO CCn1nc(C)c(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)c1C ZINC001004585118 802423417 /nfs/dbraw/zinc/42/34/17/802423417.db2.gz WJKLUFRJRANRKZ-QGZVFWFLSA-N 1 2 343.475 2.360 20 30 EEEDLO CCn1nc(C)c(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c1C ZINC001004585118 802423423 /nfs/dbraw/zinc/42/34/23/802423423.db2.gz WJKLUFRJRANRKZ-QGZVFWFLSA-N 1 2 343.475 2.360 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001033147931 802479879 /nfs/dbraw/zinc/47/98/79/802479879.db2.gz ZUNWGMQPYISSRG-AWEZNQCLSA-N 1 2 344.415 2.017 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001033147931 802479883 /nfs/dbraw/zinc/47/98/83/802479883.db2.gz ZUNWGMQPYISSRG-AWEZNQCLSA-N 1 2 344.415 2.017 20 30 EEEDLO Cc1cc(C)n([C@@H](C)C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004624964 802488143 /nfs/dbraw/zinc/48/81/43/802488143.db2.gz MQJXUEJEQGEQGZ-WMZOPIPTSA-N 1 2 343.475 2.288 20 30 EEEDLO Cc1cc(C)n([C@@H](C)C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004624964 802488146 /nfs/dbraw/zinc/48/81/46/802488146.db2.gz MQJXUEJEQGEQGZ-WMZOPIPTSA-N 1 2 343.475 2.288 20 30 EEEDLO CC(C)c1ncncc1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004617472 802493837 /nfs/dbraw/zinc/49/38/37/802493837.db2.gz QBLVJBVTBNQMHM-QGZVFWFLSA-N 1 2 341.459 2.440 20 30 EEEDLO CC(C)c1ncncc1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004617472 802493840 /nfs/dbraw/zinc/49/38/40/802493840.db2.gz QBLVJBVTBNQMHM-QGZVFWFLSA-N 1 2 341.459 2.440 20 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ZINC001108275791 802952987 /nfs/dbraw/zinc/95/29/87/802952987.db2.gz KXXBGGYQBPYIEG-IBGZPJMESA-N 1 2 340.427 2.083 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC001108275791 802952993 /nfs/dbraw/zinc/95/29/93/802952993.db2.gz KXXBGGYQBPYIEG-IBGZPJMESA-N 1 2 340.427 2.083 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2CC[NH+]([C@@H](C)c3ncccn3)CC2)cn1 ZINC001006313168 803048388 /nfs/dbraw/zinc/04/83/88/803048388.db2.gz MIFOGKUGRFYSSM-HNNXBMFYSA-N 1 2 349.438 2.151 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2csc(-c3ccoc3)n2)C1 ZINC001108283413 803157610 /nfs/dbraw/zinc/15/76/10/803157610.db2.gz BTSXKYIMCFKTJL-KRWDZBQOSA-N 1 2 347.440 2.410 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2csc(-c3ccoc3)n2)C1 ZINC001108283413 803157615 /nfs/dbraw/zinc/15/76/15/803157615.db2.gz BTSXKYIMCFKTJL-KRWDZBQOSA-N 1 2 347.440 2.410 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2c(F)cccc2Cl)C1 ZINC001108363766 803389638 /nfs/dbraw/zinc/38/96/38/803389638.db2.gz CFKKWQSXWIUMIG-QGZVFWFLSA-N 1 2 340.826 2.415 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2c(F)cccc2Cl)C1 ZINC001108363766 803389644 /nfs/dbraw/zinc/38/96/44/803389644.db2.gz CFKKWQSXWIUMIG-QGZVFWFLSA-N 1 2 340.826 2.415 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cccc(OCC)c2)C1 ZINC001108424867 803524684 /nfs/dbraw/zinc/52/46/84/803524684.db2.gz UEQAVMDSJTYLSE-LJQANCHMSA-N 1 2 332.444 2.021 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cccc(OCC)c2)C1 ZINC001108424867 803524692 /nfs/dbraw/zinc/52/46/92/803524692.db2.gz UEQAVMDSJTYLSE-LJQANCHMSA-N 1 2 332.444 2.021 20 30 EEEDLO C[C@@H](CNc1cccc(F)c1C#N)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001108583591 804203173 /nfs/dbraw/zinc/20/31/73/804203173.db2.gz ZFMRJYCNFFJZRX-QWHCGFSZSA-N 1 2 341.390 2.073 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C[C@@H](C)C(C)(C)C)CC2=O)C1 ZINC001108588625 804245853 /nfs/dbraw/zinc/24/58/53/804245853.db2.gz HUNIEZRIXUDZRL-HUUCEWRRSA-N 1 2 335.492 2.036 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CNc1cccc(F)c1C#N ZINC001108741414 804437847 /nfs/dbraw/zinc/43/78/47/804437847.db2.gz ZQFROMDJNJRXRK-NEPJUHHUSA-N 1 2 329.379 2.216 20 30 EEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CNc1cccc(F)c1C#N ZINC001108741414 804437850 /nfs/dbraw/zinc/43/78/50/804437850.db2.gz ZQFROMDJNJRXRK-NEPJUHHUSA-N 1 2 329.379 2.216 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)CNc2ccc(C#N)c(C)n2)c[nH+]1 ZINC001108763425 804453949 /nfs/dbraw/zinc/45/39/49/804453949.db2.gz GTLMPKQNLHJKAJ-LBPRGKRZSA-N 1 2 340.431 2.119 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncs1 ZINC001109040641 804853275 /nfs/dbraw/zinc/85/32/75/804853275.db2.gz YZJFUGMFHCBQGQ-VDERGJSUSA-N 1 2 335.473 2.346 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncs1 ZINC001109040641 804853289 /nfs/dbraw/zinc/85/32/89/804853289.db2.gz YZJFUGMFHCBQGQ-VDERGJSUSA-N 1 2 335.473 2.346 20 30 EEEDLO COc1ccc(F)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C#N)C2 ZINC001109088516 804949652 /nfs/dbraw/zinc/94/96/52/804949652.db2.gz NUWPHKOEVMNLAS-FWYOQMDTSA-N 1 2 331.391 2.215 20 30 EEEDLO COc1ccc(F)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C#N)C2 ZINC001109088516 804949658 /nfs/dbraw/zinc/94/96/58/804949658.db2.gz NUWPHKOEVMNLAS-FWYOQMDTSA-N 1 2 331.391 2.215 20 30 EEEDLO Cc1nc(NC[C@@H]2CCCC[C@@H]2NC(=O)CSCC#N)cc[nH+]1 ZINC001109342695 805327842 /nfs/dbraw/zinc/32/78/42/805327842.db2.gz XSWOMHBLUFLTEK-KBPBESRZSA-N 1 2 333.461 2.129 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C)n(C)n2)CCC1 ZINC001109392306 805396203 /nfs/dbraw/zinc/39/62/03/805396203.db2.gz ZUQDRWWJJRJTKA-SQNIBIBYSA-N 1 2 340.471 2.144 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C)n(C)n2)CCC1 ZINC001109392306 805396213 /nfs/dbraw/zinc/39/62/13/805396213.db2.gz ZUQDRWWJJRJTKA-SQNIBIBYSA-N 1 2 340.471 2.144 20 30 EEEDLO Cc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1 ZINC000787291739 807068987 /nfs/dbraw/zinc/06/89/87/807068987.db2.gz DCQBDQUWEIOHMO-INIZCTEOSA-N 1 2 326.444 2.068 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1O ZINC001112740501 807105021 /nfs/dbraw/zinc/10/50/21/807105021.db2.gz GTEZVDAKPJTBNK-JKSUJKDBSA-N 1 2 346.475 2.178 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[NH+](Cc2ccc(C(=O)NC)cc2)CC1 ZINC001112893610 807551978 /nfs/dbraw/zinc/55/19/78/807551978.db2.gz SRCJUYZDGPTYPN-UHFFFAOYSA-N 1 2 343.471 2.293 20 30 EEEDLO Cc1nc(N[C@@H](C)[C@@H](C)NC(=O)C#CC2CC2)c2c([nH+]1)CCCC2 ZINC001113036013 807909685 /nfs/dbraw/zinc/90/96/85/807909685.db2.gz JHVAUVQMSCKJCX-OLZOCXBDSA-N 1 2 326.444 2.382 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H](C)[C@H](C)NC(=O)CCCn2cc[nH+]c2)n1 ZINC001113078082 808060653 /nfs/dbraw/zinc/06/06/53/808060653.db2.gz WSAFMDJYYVRJMR-GJZGRUSLSA-N 1 2 340.431 2.244 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001086579128 808150839 /nfs/dbraw/zinc/15/08/39/808150839.db2.gz NKGBPOAPSPCCAF-JKSUJKDBSA-N 1 2 325.437 2.283 20 30 EEEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001086579128 808150844 /nfs/dbraw/zinc/15/08/44/808150844.db2.gz NKGBPOAPSPCCAF-JKSUJKDBSA-N 1 2 325.437 2.283 20 30 EEEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)CCC(F)F)CC2)cc1 ZINC001113113288 808177191 /nfs/dbraw/zinc/17/71/91/808177191.db2.gz ITXNLTYRBPLJTN-UHFFFAOYSA-N 1 2 337.370 2.278 20 30 EEEDLO C#CCCCCCC(=O)N1CC[NH+](CCCc2nc(C)no2)CC1 ZINC001113205730 808429430 /nfs/dbraw/zinc/42/94/30/808429430.db2.gz ZHEUAGZXXWDIJX-UHFFFAOYSA-N 1 2 332.448 2.039 20 30 EEEDLO C[C@H](NC(=O)c1cccc2[nH+]ccn21)[C@H](C)Nc1ccc(C#N)nc1 ZINC001113220449 808468394 /nfs/dbraw/zinc/46/83/94/808468394.db2.gz QSHYBOKMLKAHCD-STQMWFEESA-N 1 2 334.383 2.220 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc3c(c2)[C@@H](C)CO3)CC1 ZINC001113239551 808521995 /nfs/dbraw/zinc/52/19/95/808521995.db2.gz HODLXQDACHJHFU-HNNXBMFYSA-N 1 2 330.428 2.143 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[NH+](C[C@@H](O)c2cccc(OC)c2)CC1 ZINC001113390536 808875760 /nfs/dbraw/zinc/87/57/60/808875760.db2.gz HVRHOXYCPUZFFC-GOSISDBHSA-N 1 2 346.471 2.475 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2c[nH]nc2C2CCCCC2)CC1 ZINC001113525276 809138716 /nfs/dbraw/zinc/13/87/16/809138716.db2.gz IOEIFHIFWDHHHZ-UHFFFAOYSA-N 1 2 346.475 2.418 20 30 EEEDLO C=CCCOCC(=O)N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC001113708956 809611359 /nfs/dbraw/zinc/61/13/59/809611359.db2.gz FRZVFRWHYIXZJF-UHFFFAOYSA-N 1 2 338.398 2.244 20 30 EEEDLO N#CCn1c(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)nc2ccccc2c1=O ZINC000792921370 810071157 /nfs/dbraw/zinc/07/11/57/810071157.db2.gz KIXXWPJEKISCKG-DLBZAZTESA-N 1 2 338.411 2.063 20 30 EEEDLO N#CCn1c(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)nc2ccccc2c1=O ZINC000792921370 810071159 /nfs/dbraw/zinc/07/11/59/810071159.db2.gz KIXXWPJEKISCKG-DLBZAZTESA-N 1 2 338.411 2.063 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)CC[C@@H]1C ZINC001114006771 810182758 /nfs/dbraw/zinc/18/27/58/810182758.db2.gz YTPOBCATYQTVEX-GOEBONIOSA-N 1 2 332.448 2.099 20 30 EEEDLO CC(C)[C@@H](CCN(C)C(=O)Cc1c[nH+]c[nH]1)Nc1ccc(C#N)cn1 ZINC001114118945 810377564 /nfs/dbraw/zinc/37/75/64/810377564.db2.gz KSNWOTVHJNFKGB-MRXNPFEDSA-N 1 2 340.431 2.204 20 30 EEEDLO CCC[C@H]1CC(=O)N(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793607514 810432684 /nfs/dbraw/zinc/43/26/84/810432684.db2.gz QUXOLFPBIWMLDV-HOCLYGCPSA-N 1 2 328.416 2.012 20 30 EEEDLO CCC[C@H]1CC(=O)N(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793607514 810432690 /nfs/dbraw/zinc/43/26/90/810432690.db2.gz QUXOLFPBIWMLDV-HOCLYGCPSA-N 1 2 328.416 2.012 20 30 EEEDLO CCCC[C@@H](CNc1cc[nH+]c(C)n1)NC(=O)c1cc(C#N)c[nH]1 ZINC001114230125 810643546 /nfs/dbraw/zinc/64/35/46/810643546.db2.gz ONARADOQFQCGGD-AWEZNQCLSA-N 1 2 326.404 2.386 20 30 EEEDLO CCCC[C@H](CNc1ccc(C#N)nc1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001114245629 810672957 /nfs/dbraw/zinc/67/29/57/810672957.db2.gz QNMDZQCLKPYADL-MRXNPFEDSA-N 1 2 340.431 2.396 20 30 EEEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCC(C)(C)C)C1 ZINC001131316561 812655358 /nfs/dbraw/zinc/65/53/58/812655358.db2.gz NDFBLQVBKLKNKR-XHSDSOJGSA-N 1 2 349.475 2.105 20 30 EEEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCC(C)(C)C)C1 ZINC001131316561 812655366 /nfs/dbraw/zinc/65/53/66/812655366.db2.gz NDFBLQVBKLKNKR-XHSDSOJGSA-N 1 2 349.475 2.105 20 30 EEEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001131385710 812745996 /nfs/dbraw/zinc/74/59/96/812745996.db2.gz KSAGYKWDTVVIQK-INIZCTEOSA-N 1 2 337.508 2.285 20 30 EEEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001131385710 812746001 /nfs/dbraw/zinc/74/60/01/812746001.db2.gz KSAGYKWDTVVIQK-INIZCTEOSA-N 1 2 337.508 2.285 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H](C)O[C@@]2(CC[N@H+](Cc3ccon3)C2)C1 ZINC001131661253 813087585 /nfs/dbraw/zinc/08/75/85/813087585.db2.gz LNJQVJBZANXLCX-HNAYVOBHSA-N 1 2 347.459 2.469 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H](C)O[C@@]2(CC[N@@H+](Cc3ccon3)C2)C1 ZINC001131661253 813087593 /nfs/dbraw/zinc/08/75/93/813087593.db2.gz LNJQVJBZANXLCX-HNAYVOBHSA-N 1 2 347.459 2.469 20 30 EEEDLO COCCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001436726877 1088196370 /nfs/dbraw/zinc/19/63/70/1088196370.db2.gz YRRNMHKLKQSMCS-INIZCTEOSA-N 1 2 345.418 2.205 20 30 EEEDLO COCCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC001436726877 1088196377 /nfs/dbraw/zinc/19/63/77/1088196377.db2.gz YRRNMHKLKQSMCS-INIZCTEOSA-N 1 2 345.418 2.205 20 30 EEEDLO CCc1nc(C)c(C(=O)NCC[N@H+](C)Cc2cc(C#N)ccc2F)o1 ZINC001437536384 1089973502 /nfs/dbraw/zinc/97/35/02/1089973502.db2.gz HARBMBJXPOTRNS-UHFFFAOYSA-N 1 2 344.390 2.418 20 30 EEEDLO CCc1nc(C)c(C(=O)NCC[N@@H+](C)Cc2cc(C#N)ccc2F)o1 ZINC001437536384 1089973512 /nfs/dbraw/zinc/97/35/12/1089973512.db2.gz HARBMBJXPOTRNS-UHFFFAOYSA-N 1 2 344.390 2.418 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cnc2ccccc2c1O)C1CC1 ZINC001437788826 1090377388 /nfs/dbraw/zinc/37/73/88/1090377388.db2.gz AVNOEXWDDLCEPL-UHFFFAOYSA-N 1 2 345.830 2.475 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cnc2ccccc2c1O)C1CC1 ZINC001437788826 1090377390 /nfs/dbraw/zinc/37/73/90/1090377390.db2.gz AVNOEXWDDLCEPL-UHFFFAOYSA-N 1 2 345.830 2.475 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)NC(=O)c1cccs1 ZINC001438893230 1091540654 /nfs/dbraw/zinc/54/06/54/1091540654.db2.gz GZKIPNWGFXMFDG-GFCCVEGCSA-N 1 2 343.880 2.009 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](C)NC(=O)c1cccs1 ZINC001438893230 1091540665 /nfs/dbraw/zinc/54/06/65/1091540665.db2.gz GZKIPNWGFXMFDG-GFCCVEGCSA-N 1 2 343.880 2.009 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnc2ccccc2c1O ZINC001440939655 1094191391 /nfs/dbraw/zinc/19/13/91/1094191391.db2.gz HSEYZDOPJZEURD-LBPRGKRZSA-N 1 2 333.819 2.331 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnc2ccccc2c1O ZINC001440939655 1094191393 /nfs/dbraw/zinc/19/13/93/1094191393.db2.gz HSEYZDOPJZEURD-LBPRGKRZSA-N 1 2 333.819 2.331 20 30 EEEDLO C[N@H+](CCNC(=O)c1cnoc1C1CC1)Cc1cc(C#N)ccc1F ZINC001442560805 1096924040 /nfs/dbraw/zinc/92/40/40/1096924040.db2.gz NSDRXIIHZIPTMR-UHFFFAOYSA-N 1 2 342.374 2.425 20 30 EEEDLO C[N@@H+](CCNC(=O)c1cnoc1C1CC1)Cc1cc(C#N)ccc1F ZINC001442560805 1096924044 /nfs/dbraw/zinc/92/40/44/1096924044.db2.gz NSDRXIIHZIPTMR-UHFFFAOYSA-N 1 2 342.374 2.425 20 30 EEEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)CCC3CC3)CC2)cc1 ZINC001480340967 1100107206 /nfs/dbraw/zinc/10/72/06/1100107206.db2.gz CEPCAKVESKKZIA-UHFFFAOYSA-N 1 2 327.428 2.423 20 30 EEEDLO CCOc1cccc(Cl)c1C[NH+]1CC(CNC(=O)[C@@H](C)C#N)C1 ZINC001494536370 1104127157 /nfs/dbraw/zinc/12/71/57/1104127157.db2.gz BCOLJMWWZUZNOM-LBPRGKRZSA-N 1 2 335.835 2.446 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)COc2ccccc2OC)C1 ZINC001494868678 1104478094 /nfs/dbraw/zinc/47/80/94/1104478094.db2.gz MVMBAVVKJXZXGF-AWEZNQCLSA-N 1 2 338.835 2.359 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)COc2ccccc2OC)C1 ZINC001494868678 1104478098 /nfs/dbraw/zinc/47/80/98/1104478098.db2.gz MVMBAVVKJXZXGF-AWEZNQCLSA-N 1 2 338.835 2.359 20 30 EEEDLO N#Cc1ccc(C[N@@H+](CCNC(=O)c2ncccc2O)C2CC2)s1 ZINC001493364253 1107996475 /nfs/dbraw/zinc/99/64/75/1107996475.db2.gz LSABLXXHBGSIHC-UHFFFAOYSA-N 1 2 342.424 2.115 20 30 EEEDLO N#Cc1ccc(C[N@H+](CCNC(=O)c2ncccc2O)C2CC2)s1 ZINC001493364253 1107996483 /nfs/dbraw/zinc/99/64/83/1107996483.db2.gz LSABLXXHBGSIHC-UHFFFAOYSA-N 1 2 342.424 2.115 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC[C@H](C)[C@H]1C ZINC001520252219 1119140201 /nfs/dbraw/zinc/14/02/01/1119140201.db2.gz HXOXUOZMYKBNIA-XHSDSOJGSA-N 1 2 333.480 2.481 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC[C@H](C)[C@H]1C ZINC001520252219 1119140204 /nfs/dbraw/zinc/14/02/04/1119140204.db2.gz HXOXUOZMYKBNIA-XHSDSOJGSA-N 1 2 333.480 2.481 20 30 EEEDLO C#CCCN(CCOC)c1nnc(C[NH+]2CCCCC2)n1CC(=C)C ZINC001524347588 1120070104 /nfs/dbraw/zinc/07/01/04/1120070104.db2.gz SOTJRVSLJXIOJE-UHFFFAOYSA-N 1 2 345.491 2.316 20 30 EEEDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000181059469 529921304 /nfs/dbraw/zinc/92/13/04/529921304.db2.gz QSTNWBRQIUYXJT-CQSZACIVSA-N 1 2 336.233 2.421 20 30 EEEDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000181059469 529921305 /nfs/dbraw/zinc/92/13/05/529921305.db2.gz QSTNWBRQIUYXJT-CQSZACIVSA-N 1 2 336.233 2.421 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2ccccn2)CC1 ZINC000038431235 213209470 /nfs/dbraw/zinc/20/94/70/213209470.db2.gz OKRPJZWAIWTPMV-OAHLLOKOSA-N 1 2 335.411 2.102 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186820419 236032903 /nfs/dbraw/zinc/03/29/03/236032903.db2.gz OHPVMSMOSPRTOE-UHFFFAOYSA-N 1 2 337.470 2.156 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCSC2(CCOCC2)C1 ZINC000186820419 236032904 /nfs/dbraw/zinc/03/29/04/236032904.db2.gz OHPVMSMOSPRTOE-UHFFFAOYSA-N 1 2 337.470 2.156 20 30 EEEDLO C[C@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)C(=O)NCC(F)(F)F ZINC000106067312 237105001 /nfs/dbraw/zinc/10/50/01/237105001.db2.gz JAOYBLQBBGMSFA-QMMMGPOBSA-N 1 2 337.729 2.238 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn(CC(F)F)n2)[C@H]1CC ZINC001087614152 781944308 /nfs/dbraw/zinc/94/43/08/781944308.db2.gz CUAOSTTUIWICPD-WCQYABFASA-N 1 2 346.809 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn(CC(F)F)n2)[C@H]1CC ZINC001087614152 781944315 /nfs/dbraw/zinc/94/43/15/781944315.db2.gz CUAOSTTUIWICPD-WCQYABFASA-N 1 2 346.809 2.483 20 30 EEEDLO Cn1cc(C[NH+]2CC(OCC(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000459594624 245180569 /nfs/dbraw/zinc/18/05/69/245180569.db2.gz QOMYKEAOGCMRHE-UHFFFAOYSA-N 1 2 332.354 2.425 20 30 EEEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000491628050 246088706 /nfs/dbraw/zinc/08/87/06/246088706.db2.gz KLNWYEUOHKGNJN-JSGCOSHPSA-N 1 2 335.245 2.376 20 30 EEEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000491628050 246088712 /nfs/dbraw/zinc/08/87/12/246088712.db2.gz KLNWYEUOHKGNJN-JSGCOSHPSA-N 1 2 335.245 2.376 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N(CCC)CC(=O)Nc1ccccc1C ZINC000491670865 246103276 /nfs/dbraw/zinc/10/32/76/246103276.db2.gz POJNIVQVOMCJJA-MRXNPFEDSA-N 1 2 329.444 2.126 20 30 EEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N(CCC)CC(=O)Nc1ccccc1C ZINC000491670865 246103280 /nfs/dbraw/zinc/10/32/80/246103280.db2.gz POJNIVQVOMCJJA-MRXNPFEDSA-N 1 2 329.444 2.126 20 30 EEEDLO C#CCNC(=O)CCNc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000491717924 246125834 /nfs/dbraw/zinc/12/58/34/246125834.db2.gz RWKNENYNITUBFA-UHFFFAOYSA-N 1 2 342.468 2.327 20 30 EEEDLO C#CCNC(=O)CCNc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000491717924 246125842 /nfs/dbraw/zinc/12/58/42/246125842.db2.gz RWKNENYNITUBFA-UHFFFAOYSA-N 1 2 342.468 2.327 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495331540 247125357 /nfs/dbraw/zinc/12/53/57/247125357.db2.gz PCIHPRJPOWDWHC-LSDHHAIUSA-N 1 2 339.480 2.256 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495331540 247125360 /nfs/dbraw/zinc/12/53/60/247125360.db2.gz PCIHPRJPOWDWHC-LSDHHAIUSA-N 1 2 339.480 2.256 20 30 EEEDLO Cc1nc(N2CCN(C(=O)/C=C/c3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000274281019 256370303 /nfs/dbraw/zinc/37/03/03/256370303.db2.gz YUKPRPDAJHJSDG-VOTSOKGWSA-N 1 2 333.395 2.019 20 30 EEEDLO C#C[C@H](C)N(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000491406122 533283056 /nfs/dbraw/zinc/28/30/56/533283056.db2.gz LZOWSNWLDZNRQB-RRQGHBQHSA-N 1 2 349.862 2.375 20 30 EEEDLO C#C[C@H](C)N(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000491406122 533283064 /nfs/dbraw/zinc/28/30/64/533283064.db2.gz LZOWSNWLDZNRQB-RRQGHBQHSA-N 1 2 349.862 2.375 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2coc(OCC)n2)[C@H]1CC ZINC001087641700 781995655 /nfs/dbraw/zinc/99/56/55/781995655.db2.gz YFMYLJPDLJHYGU-WCQYABFASA-N 1 2 327.812 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2coc(OCC)n2)[C@H]1CC ZINC001087641700 781995660 /nfs/dbraw/zinc/99/56/60/781995660.db2.gz YFMYLJPDLJHYGU-WCQYABFASA-N 1 2 327.812 2.409 20 30 EEEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Cc2c(F)cccc2C#N)C1 ZINC000354148905 153137110 /nfs/dbraw/zinc/13/71/10/153137110.db2.gz JZTJPZLUYKIDSL-CQSZACIVSA-N 1 2 340.402 2.455 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3CCSCC3)CC2)cc1 ZINC000352804575 162294198 /nfs/dbraw/zinc/29/41/98/162294198.db2.gz FRUURSKAQKZRKA-UHFFFAOYSA-N 1 2 329.469 2.346 20 30 EEEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc([S@@](C)=O)cc1 ZINC000360209459 164257975 /nfs/dbraw/zinc/25/79/75/164257975.db2.gz PWGWBMDFUOZGEK-KZNWIGSXSA-N 1 2 341.436 2.173 20 30 EEEDLO C[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1)c1cccc(C#N)c1 ZINC000360470044 164317031 /nfs/dbraw/zinc/31/70/31/164317031.db2.gz QQNKQHZIGXAVSJ-YJBOKZPZSA-N 1 2 349.438 2.185 20 30 EEEDLO C[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1)c1cccc(C#N)c1 ZINC000360470044 164317033 /nfs/dbraw/zinc/31/70/33/164317033.db2.gz QQNKQHZIGXAVSJ-YJBOKZPZSA-N 1 2 349.438 2.185 20 30 EEEDLO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1csnn1 ZINC000412042249 269845388 /nfs/dbraw/zinc/84/53/88/269845388.db2.gz OGMSMOXYULCRNH-BXUZGUMPSA-N 1 2 327.413 2.256 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000295321921 269909325 /nfs/dbraw/zinc/90/93/25/269909325.db2.gz PSDFQCOYZAYCBO-OAHLLOKOSA-N 1 2 344.440 2.372 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H](O)C3CCCCC3)CC2)cc1 ZINC000332533063 270018857 /nfs/dbraw/zinc/01/88/57/270018857.db2.gz ROKJTOGFJOSWGD-LJQANCHMSA-N 1 2 341.455 2.144 20 30 EEEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000289299016 266128212 /nfs/dbraw/zinc/12/82/12/266128212.db2.gz RWPCNIKCGMNFAG-UHFFFAOYSA-N 1 2 329.425 2.249 20 30 EEEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000289299016 266128215 /nfs/dbraw/zinc/12/82/15/266128215.db2.gz RWPCNIKCGMNFAG-UHFFFAOYSA-N 1 2 329.425 2.249 20 30 EEEDLO C[C@@H](c1ccccc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290220935 267003720 /nfs/dbraw/zinc/00/37/20/267003720.db2.gz IAQHKZNANKTKHM-AWEZNQCLSA-N 1 2 329.425 2.420 20 30 EEEDLO C[C@@H](c1ccccc1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290220935 267003722 /nfs/dbraw/zinc/00/37/22/267003722.db2.gz IAQHKZNANKTKHM-AWEZNQCLSA-N 1 2 329.425 2.420 20 30 EEEDLO CCOC[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000528725622 267142408 /nfs/dbraw/zinc/14/24/08/267142408.db2.gz RQQAHPYOVJZNAN-GOSISDBHSA-N 1 2 340.427 2.196 20 30 EEEDLO CCOC[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000528725622 267142411 /nfs/dbraw/zinc/14/24/11/267142411.db2.gz RQQAHPYOVJZNAN-GOSISDBHSA-N 1 2 340.427 2.196 20 30 EEEDLO C[C@H]([C@H](C)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[NH+]1CCOCC1 ZINC000285368626 267207342 /nfs/dbraw/zinc/20/73/42/267207342.db2.gz MIMPWXFJLPFYDK-UONOGXRCSA-N 1 2 347.434 2.200 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCc4ccccc43)CC2)cc1 ZINC000301109837 268117572 /nfs/dbraw/zinc/11/75/72/268117572.db2.gz RDBNYIKIORBUNU-UHFFFAOYSA-N 1 2 346.434 2.270 20 30 EEEDLO N#Cc1c(Cl)cccc1NCCCCN1CC[NH+](CCO)CC1 ZINC000450328229 268158756 /nfs/dbraw/zinc/15/87/56/268158756.db2.gz BKRFSWHAVPHVKT-UHFFFAOYSA-N 1 2 336.867 2.014 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000521033631 268174564 /nfs/dbraw/zinc/17/45/64/268174564.db2.gz RLODJBXDIONRFS-LLVKDONJSA-N 1 2 332.205 2.428 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000521033631 268174566 /nfs/dbraw/zinc/17/45/66/268174566.db2.gz RLODJBXDIONRFS-LLVKDONJSA-N 1 2 332.205 2.428 20 30 EEEDLO NC(CCO)=[NH+]OCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000121314322 676523073 /nfs/dbraw/zinc/52/30/73/676523073.db2.gz GRTMPOIUAIVUMN-UHFFFAOYSA-N 1 2 331.159 2.215 20 30 EEEDLO N#Cc1nccnc1NCc1cn2cc(Br)ccc2[nH+]1 ZINC000301202279 268331732 /nfs/dbraw/zinc/33/17/32/268331732.db2.gz XAXQGHYHPIOZRF-UHFFFAOYSA-N 1 2 329.161 2.371 20 30 EEEDLO Cc1cnccc1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000275372790 269112041 /nfs/dbraw/zinc/11/20/41/269112041.db2.gz NTWQIVJQLSUPLU-UHFFFAOYSA-N 1 2 349.438 2.289 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000111123916 303188888 /nfs/dbraw/zinc/18/88/88/303188888.db2.gz LKGLAAPUAOVVCM-FQEVSTJZSA-N 1 2 349.434 2.232 20 30 EEEDLO COC(=O)c1cccc(C[NH2+][C@@H](CO)c2ccccc2OC)c1C#N ZINC000541051316 318091827 /nfs/dbraw/zinc/09/18/27/318091827.db2.gz HWWJXEZEHUHDRW-KRWDZBQOSA-N 1 2 340.379 2.177 20 30 EEEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000548651742 318401385 /nfs/dbraw/zinc/40/13/85/318401385.db2.gz WGEJILAGNNPQTF-NSHDSACASA-N 1 2 347.325 2.493 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H]2Cc2ccccc2)nc1 ZINC000563764338 319042080 /nfs/dbraw/zinc/04/20/80/319042080.db2.gz AHMHJDQUPYCWMZ-KRWDZBQOSA-N 1 2 341.436 2.044 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H]2Cc2ccccc2)nc1 ZINC000563764338 319042083 /nfs/dbraw/zinc/04/20/83/319042083.db2.gz AHMHJDQUPYCWMZ-KRWDZBQOSA-N 1 2 341.436 2.044 20 30 EEEDLO CCOc1cccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)n1 ZINC000576196458 320149474 /nfs/dbraw/zinc/14/94/74/320149474.db2.gz UDIPBZVUWPHTDF-UHFFFAOYSA-N 1 2 343.456 2.439 20 30 EEEDLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CCN(CCC#N)CC1 ZINC000611175617 449201616 /nfs/dbraw/zinc/20/16/16/449201616.db2.gz JYLYLFZIJZESCE-HNNXBMFYSA-N 1 2 333.436 2.012 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](CO)C1 ZINC000193172882 465027794 /nfs/dbraw/zinc/02/77/94/465027794.db2.gz XLUZNIXGODSEIV-RYUDHWBXSA-N 1 2 333.457 2.140 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](CO)C1 ZINC000193172882 465027796 /nfs/dbraw/zinc/02/77/96/465027796.db2.gz XLUZNIXGODSEIV-RYUDHWBXSA-N 1 2 333.457 2.140 20 30 EEEDLO CC(=O)NC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000328603813 465066541 /nfs/dbraw/zinc/06/65/41/465066541.db2.gz ICGQPELPUPMFTO-GJZGRUSLSA-N 1 2 333.436 2.363 20 30 EEEDLO Cc1noc([C@@H]2CCCN(C(=O)NC[C@H]3CCCn4cc[nH+]c43)C2)n1 ZINC000328614059 465071316 /nfs/dbraw/zinc/07/13/16/465071316.db2.gz QVIXCADMQJXRGX-ZIAGYGMSSA-N 1 2 344.419 2.246 20 30 EEEDLO COc1ccc2occ(C(=O)N[C@@H](C)C[NH+]3CCN(C)CC3)c2c1 ZINC000328731927 465113120 /nfs/dbraw/zinc/11/31/20/465113120.db2.gz XFDJRGMNUWTZQS-ZDUSSCGKSA-N 1 2 331.416 2.382 20 30 EEEDLO C[N@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCNC1=O ZINC000328818709 465138420 /nfs/dbraw/zinc/13/84/20/465138420.db2.gz HTUZAPZVVXCYDB-RZYZSWTKSA-N 1 2 348.447 2.486 20 30 EEEDLO C[N@@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCNC1=O ZINC000328818709 465138425 /nfs/dbraw/zinc/13/84/25/465138425.db2.gz HTUZAPZVVXCYDB-RZYZSWTKSA-N 1 2 348.447 2.486 20 30 EEEDLO CC[C@H](C(=O)N(C)Cc1cccc(C#N)c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339245160 465162378 /nfs/dbraw/zinc/16/23/78/465162378.db2.gz GYKBRPQKCPRLFR-ZWKOTPCHSA-N 1 2 329.444 2.406 20 30 EEEDLO CC[C@H](C(=O)N(C)Cc1cccc(C#N)c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339245160 465162383 /nfs/dbraw/zinc/16/23/83/465162383.db2.gz GYKBRPQKCPRLFR-ZWKOTPCHSA-N 1 2 329.444 2.406 20 30 EEEDLO CC(C)(C)[C@@H]1C[C@@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)CCO1 ZINC000328938792 465175508 /nfs/dbraw/zinc/17/55/08/465175508.db2.gz RQELTCWDRNWVAU-GJZGRUSLSA-N 1 2 341.496 2.195 20 30 EEEDLO CC(C)(C)[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)CCO1 ZINC000328938792 465175514 /nfs/dbraw/zinc/17/55/14/465175514.db2.gz RQELTCWDRNWVAU-GJZGRUSLSA-N 1 2 341.496 2.195 20 30 EEEDLO O=C(Nc1cccn(CC(F)(F)F)c1=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328956566 465181742 /nfs/dbraw/zinc/18/17/42/465181742.db2.gz PAMFVNNDLJCQDV-SNVBAGLBSA-N 1 2 340.305 2.458 20 30 EEEDLO CN1CCOC[C@@H]1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000328978722 465190525 /nfs/dbraw/zinc/19/05/25/465190525.db2.gz XEUBMVQNDGNRQG-MRXNPFEDSA-N 1 2 332.448 2.249 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000354878815 465208166 /nfs/dbraw/zinc/20/81/66/465208166.db2.gz PSTDUJOPVQOIMU-SOLBZPMBSA-N 1 2 329.444 2.457 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000354878815 465208171 /nfs/dbraw/zinc/20/81/71/465208171.db2.gz PSTDUJOPVQOIMU-SOLBZPMBSA-N 1 2 329.444 2.457 20 30 EEEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000329097738 465231948 /nfs/dbraw/zinc/23/19/48/465231948.db2.gz YNEOSBKXDXXAKN-KZUMUSTHSA-N 1 2 333.476 2.463 20 30 EEEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000329097738 465231954 /nfs/dbraw/zinc/23/19/54/465231954.db2.gz 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ZINC000342160132 465297429 /nfs/dbraw/zinc/29/74/29/465297429.db2.gz IGRBEUZWRBLAOL-UHFFFAOYSA-N 1 2 330.482 2.019 20 30 EEEDLO C(#CC[N@H+]1CCc2ncsc2C1)CN1CCc2ncsc2C1 ZINC000342160132 465297433 /nfs/dbraw/zinc/29/74/33/465297433.db2.gz IGRBEUZWRBLAOL-UHFFFAOYSA-N 1 2 330.482 2.019 20 30 EEEDLO CCc1ccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cn1 ZINC000347914740 465306844 /nfs/dbraw/zinc/30/68/44/465306844.db2.gz ILHBFFPRTCVTJG-MGPUTAFESA-N 1 2 332.407 2.489 20 30 EEEDLO CCc1ccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cn1 ZINC000347914740 465306854 /nfs/dbraw/zinc/30/68/54/465306854.db2.gz ILHBFFPRTCVTJG-MGPUTAFESA-N 1 2 332.407 2.489 20 30 EEEDLO CC(C)(C)n1nnnc1C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000329600542 465383348 /nfs/dbraw/zinc/38/33/48/465383348.db2.gz DXBMSDXTIXEVAL-UHFFFAOYSA-N 1 2 348.476 2.459 20 30 EEEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2nccc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000590695523 468309479 /nfs/dbraw/zinc/30/94/79/468309479.db2.gz QSVVZYBHJIIKLZ-CVEARBPZSA-N 1 2 343.818 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ZINC000066470014 462892959 /nfs/dbraw/zinc/89/29/59/462892959.db2.gz JMDYMQQGRUSSCL-BABFGASTSA-N 1 2 346.475 2.261 20 30 EEEDLO C=CCCS(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000119451012 462902106 /nfs/dbraw/zinc/90/21/06/462902106.db2.gz CUXBYUDUPKYEQM-OAHLLOKOSA-N 1 2 335.429 2.014 20 30 EEEDLO COc1ccc(C#N)cc1CN1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000157925145 463186285 /nfs/dbraw/zinc/18/62/85/463186285.db2.gz OYVZVHAOECQKDL-UHFFFAOYSA-N 1 2 340.427 2.490 20 30 EEEDLO N#CCCn1cc(C[N@@H+]2CCn3cnnc3C2)c(-c2ccccc2)n1 ZINC000121824900 463201180 /nfs/dbraw/zinc/20/11/80/463201180.db2.gz MTJACPAJLNGLFU-UHFFFAOYSA-N 1 2 333.399 2.071 20 30 EEEDLO N#CCCn1cc(C[N@H+]2CCn3cnnc3C2)c(-c2ccccc2)n1 ZINC000121824900 463201188 /nfs/dbraw/zinc/20/11/88/463201188.db2.gz MTJACPAJLNGLFU-UHFFFAOYSA-N 1 2 333.399 2.071 20 30 EEEDLO COc1ccc(F)cc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000028740688 463231783 /nfs/dbraw/zinc/23/17/83/463231783.db2.gz UWFSPKYFZSYGNI-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)c3ccccn3)CC2)c1 ZINC000138995957 463315662 /nfs/dbraw/zinc/31/56/62/463315662.db2.gz JFBYBNDOKZTVMD-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)c3ccccn3)CC2)c1 ZINC000138995957 463315670 /nfs/dbraw/zinc/31/56/70/463315670.db2.gz JFBYBNDOKZTVMD-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO C#CCCCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000160418654 463336687 /nfs/dbraw/zinc/33/66/87/463336687.db2.gz BIDHAVTYWUPBAS-GOSISDBHSA-N 1 2 329.444 2.163 20 30 EEEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1ccc(C#N)cn1 ZINC000081091454 463393587 /nfs/dbraw/zinc/39/35/87/463393587.db2.gz FGLJXSMFXJLKGN-UHFFFAOYSA-N 1 2 331.379 2.470 20 30 EEEDLO C#CCN(CC)C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000056623718 463413800 /nfs/dbraw/zinc/41/38/00/463413800.db2.gz TUMAJTHTDPCDHL-SFHVURJKSA-N 1 2 329.444 2.033 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000081512196 463450569 /nfs/dbraw/zinc/45/05/69/463450569.db2.gz 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ZINC000151519040 463546450 /nfs/dbraw/zinc/54/64/50/463546450.db2.gz QXRSNBPFYBKVET-UHFFFAOYSA-N 1 2 335.411 2.282 20 30 EEEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000125770569 463576788 /nfs/dbraw/zinc/57/67/88/463576788.db2.gz RXMZDNAAVOAJEV-IAGOWNOFSA-N 1 2 332.400 2.131 20 30 EEEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000125770569 463576792 /nfs/dbraw/zinc/57/67/92/463576792.db2.gz RXMZDNAAVOAJEV-IAGOWNOFSA-N 1 2 332.400 2.131 20 30 EEEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185261655 463789967 /nfs/dbraw/zinc/78/99/67/463789967.db2.gz NXQSBAJVHHYADT-UHFFFAOYSA-N 1 2 338.820 2.119 20 30 EEEDLO Cc1noc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000194321531 463835524 /nfs/dbraw/zinc/83/55/24/463835524.db2.gz NRNLBAFKHQDOJZ-AWEZNQCLSA-N 1 2 325.372 2.068 20 30 EEEDLO Cc1noc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000194321531 463835531 /nfs/dbraw/zinc/83/55/31/463835531.db2.gz NRNLBAFKHQDOJZ-AWEZNQCLSA-N 1 2 325.372 2.068 20 30 EEEDLO CC[C@@H](C)NC(=O)CN1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186290407 463969856 /nfs/dbraw/zinc/96/98/56/463969856.db2.gz WOUZMNQHOQRJBJ-HZPDHXFCSA-N 1 2 328.460 2.152 20 30 EEEDLO C[C@H](Cc1cccc(F)c1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000195167193 464009028 /nfs/dbraw/zinc/00/90/28/464009028.db2.gz IWCZKFMDVASJJB-MRXNPFEDSA-N 1 2 347.434 2.079 20 30 EEEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000186497762 464012899 /nfs/dbraw/zinc/01/28/99/464012899.db2.gz PRNKWXPXSPJJKM-AWEZNQCLSA-N 1 2 348.878 2.244 20 30 EEEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000198732230 464093297 /nfs/dbraw/zinc/09/32/97/464093297.db2.gz CQEWJQFEDMZYGR-UHFFFAOYSA-N 1 2 341.864 2.340 20 30 EEEDLO C[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000279636994 464118556 /nfs/dbraw/zinc/11/85/56/464118556.db2.gz AFMSIGYFQALCDC-GJZGRUSLSA-N 1 2 329.444 2.327 20 30 EEEDLO CCOC(=O)C[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CC1 ZINC000179939802 464212091 /nfs/dbraw/zinc/21/20/91/464212091.db2.gz UHYYXPWXYXVASH-UHFFFAOYSA-N 1 2 338.411 2.486 20 30 EEEDLO CCOC(=O)C[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CC1 ZINC000179939802 464212098 /nfs/dbraw/zinc/21/20/98/464212098.db2.gz UHYYXPWXYXVASH-UHFFFAOYSA-N 1 2 338.411 2.486 20 30 EEEDLO C=CCn1c(SCC[N@@H+]2CCO[C@H](C)C2)nc2ccccc2c1=O ZINC000188218877 464226864 /nfs/dbraw/zinc/22/68/64/464226864.db2.gz NEOWRIGGMDDNJH-CQSZACIVSA-N 1 2 345.468 2.395 20 30 EEEDLO C=CCn1c(SCC[N@H+]2CCO[C@H](C)C2)nc2ccccc2c1=O ZINC000188218877 464226873 /nfs/dbraw/zinc/22/68/73/464226873.db2.gz NEOWRIGGMDDNJH-CQSZACIVSA-N 1 2 345.468 2.395 20 30 EEEDLO COc1cc[nH+]c(CN2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000264366828 464299030 /nfs/dbraw/zinc/29/90/30/464299030.db2.gz AEDFMHVJKXXVMX-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO COc1ccnc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000264366828 464299037 /nfs/dbraw/zinc/29/90/37/464299037.db2.gz AEDFMHVJKXXVMX-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO COC(=O)C[N@H+](CCc1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000180572242 464340033 /nfs/dbraw/zinc/34/00/33/464340033.db2.gz DUABYFLYAMHXRA-IBGZPJMESA-N 1 2 338.407 2.309 20 30 EEEDLO COC(=O)C[N@@H+](CCc1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000180572242 464340037 /nfs/dbraw/zinc/34/00/37/464340037.db2.gz DUABYFLYAMHXRA-IBGZPJMESA-N 1 2 338.407 2.309 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1=O ZINC000281256663 464389815 /nfs/dbraw/zinc/38/98/15/464389815.db2.gz HERJWSJGDWXPTR-HZPDHXFCSA-N 1 2 347.846 2.164 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1=O ZINC000281256663 464389823 /nfs/dbraw/zinc/38/98/23/464389823.db2.gz HERJWSJGDWXPTR-HZPDHXFCSA-N 1 2 347.846 2.164 20 30 EEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000352033876 465469244 /nfs/dbraw/zinc/46/92/44/465469244.db2.gz WPXHJHLNZZEBBY-AZUAARDMSA-N 1 2 333.391 2.216 20 30 EEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000352033876 465469250 /nfs/dbraw/zinc/46/92/50/465469250.db2.gz WPXHJHLNZZEBBY-AZUAARDMSA-N 1 2 333.391 2.216 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1=O ZINC000281298700 464405738 /nfs/dbraw/zinc/40/57/38/464405738.db2.gz JSLNEQKWZOBOBD-YOEHRIQHSA-N 1 2 347.434 2.064 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1=O ZINC000281298700 464405743 /nfs/dbraw/zinc/40/57/43/464405743.db2.gz JSLNEQKWZOBOBD-YOEHRIQHSA-N 1 2 347.434 2.064 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2CC)C1=O ZINC000281379779 464434290 /nfs/dbraw/zinc/43/42/90/464434290.db2.gz PBOFHMMNOAZKJY-INIZCTEOSA-N 1 2 329.444 2.215 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2c(C)cccc2CC)C1=O ZINC000281379779 464434294 /nfs/dbraw/zinc/43/42/94/464434294.db2.gz PBOFHMMNOAZKJY-INIZCTEOSA-N 1 2 329.444 2.215 20 30 EEEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)C1=O ZINC000281414443 464445638 /nfs/dbraw/zinc/44/56/38/464445638.db2.gz RIJSYTKXELDICM-KRWDZBQOSA-N 1 2 344.846 2.121 20 30 EEEDLO C#CCNC(=O)c1ccc(NCc2cc[nH+]c(N3CCCC3)c2)nc1 ZINC000264798964 464470356 /nfs/dbraw/zinc/47/03/56/464470356.db2.gz ABMHXJPENPPFEC-UHFFFAOYSA-N 1 2 335.411 2.052 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N(CC)c2ccccc2)C1=O ZINC000281493749 464477847 /nfs/dbraw/zinc/47/78/47/464477847.db2.gz XOHCANILPIDIEW-RDJZCZTQSA-N 1 2 329.444 2.147 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N(CC)c2ccccc2)C1=O ZINC000281493749 464477853 /nfs/dbraw/zinc/47/78/53/464477853.db2.gz XOHCANILPIDIEW-RDJZCZTQSA-N 1 2 329.444 2.147 20 30 EEEDLO C=CCOc1cccnc1-c1nc([C@H]2C[N@@H+](C3CC3)CCO2)no1 ZINC000545796232 468404697 /nfs/dbraw/zinc/40/46/97/468404697.db2.gz IMCNHWLLCVMMLN-CQSZACIVSA-N 1 2 328.372 2.232 20 30 EEEDLO C=CCOc1cccnc1-c1nc([C@H]2C[N@H+](C3CC3)CCO2)no1 ZINC000545796232 468404703 /nfs/dbraw/zinc/40/47/03/468404703.db2.gz IMCNHWLLCVMMLN-CQSZACIVSA-N 1 2 328.372 2.232 20 30 EEEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000245796711 464516091 /nfs/dbraw/zinc/51/60/91/464516091.db2.gz OTFKLPOWQJBERQ-PMPSAXMXSA-N 1 2 345.443 2.155 20 30 EEEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000245796711 464516096 /nfs/dbraw/zinc/51/60/96/464516096.db2.gz OTFKLPOWQJBERQ-PMPSAXMXSA-N 1 2 345.443 2.155 20 30 EEEDLO C#CCCOc1ccc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000294530798 464528588 /nfs/dbraw/zinc/52/85/88/464528588.db2.gz RXRRPNGMCGZCKP-UHFFFAOYSA-N 1 2 349.434 2.442 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](CCC)CC(=O)Nc2ccccc2OC)C1=O ZINC000281901036 464628226 /nfs/dbraw/zinc/62/82/26/464628226.db2.gz FQPYXEBVXPXUIG-MRXNPFEDSA-N 1 2 345.443 2.133 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](CCC)CC(=O)Nc2ccccc2OC)C1=O ZINC000281901036 464628227 /nfs/dbraw/zinc/62/82/27/464628227.db2.gz FQPYXEBVXPXUIG-MRXNPFEDSA-N 1 2 345.443 2.133 20 30 EEEDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000492417545 468417167 /nfs/dbraw/zinc/41/71/67/468417167.db2.gz ARXHZTPVMDHQLC-SREVYHEPSA-N 1 2 340.383 2.452 20 30 EEEDLO C=CCn1c(-c2ccccn2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000282272219 464759334 /nfs/dbraw/zinc/75/93/34/464759334.db2.gz MFQPCEKCJRESFT-UHFFFAOYSA-N 1 2 347.426 2.248 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2nncn2C)cc1 ZINC000275033946 464762158 /nfs/dbraw/zinc/76/21/58/464762158.db2.gz AXMKXRZOIRTFLP-CABCVRRESA-N 1 2 340.431 2.110 20 30 EEEDLO C#CCOc1cccc(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)c1 ZINC000275066376 464763459 /nfs/dbraw/zinc/76/34/59/464763459.db2.gz AAJXCNUSTTXVOF-GOSISDBHSA-N 1 2 328.412 2.138 20 30 EEEDLO C#CCOc1cccc(NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)c1 ZINC000275066376 464763463 /nfs/dbraw/zinc/76/34/63/464763463.db2.gz AAJXCNUSTTXVOF-GOSISDBHSA-N 1 2 328.412 2.138 20 30 EEEDLO C=CC[C@@]1(C(=O)NCCc2[nH]cc[nH+]2)CCCN1C(=O)OC(C)(C)C ZINC000191552749 464820739 /nfs/dbraw/zinc/82/07/39/464820739.db2.gz IBORNOHSEWHKPL-SFHVURJKSA-N 1 2 348.447 2.414 20 30 EEEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548001126 468426464 /nfs/dbraw/zinc/42/64/64/468426464.db2.gz TVVDRITXKUWDSJ-KRWDZBQOSA-N 1 2 335.411 2.467 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000579871158 468427506 /nfs/dbraw/zinc/42/75/06/468427506.db2.gz JSCNBRHXTNHSEL-CVEARBPZSA-N 1 2 329.400 2.375 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1c1ncon1 ZINC000579871158 468427511 /nfs/dbraw/zinc/42/75/11/468427511.db2.gz JSCNBRHXTNHSEL-CVEARBPZSA-N 1 2 329.400 2.375 20 30 EEEDLO C#CC[N@@H+](CN1C(=O)N[C@@](C)(C2CC2)C1=O)[C@H]1CCc2ccccc21 ZINC000249707431 464906292 /nfs/dbraw/zinc/90/62/92/464906292.db2.gz PXXBLXXVNUJTAP-PXNSSMCTSA-N 1 2 337.423 2.287 20 30 EEEDLO C#CC[N@H+](CN1C(=O)N[C@@](C)(C2CC2)C1=O)[C@H]1CCc2ccccc21 ZINC000249707431 464906297 /nfs/dbraw/zinc/90/62/97/464906297.db2.gz PXXBLXXVNUJTAP-PXNSSMCTSA-N 1 2 337.423 2.287 20 30 EEEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC(=O)N[C@@H](C)C2)nc[nH+]1 ZINC000329429726 465331355 /nfs/dbraw/zinc/33/13/55/465331355.db2.gz JZONXYIKCZDHNR-RWMBFGLXSA-N 1 2 346.435 2.199 20 30 EEEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC(=O)N[C@@H](C)C2)[nH+]cn1 ZINC000329429726 465331359 /nfs/dbraw/zinc/33/13/59/465331359.db2.gz JZONXYIKCZDHNR-RWMBFGLXSA-N 1 2 346.435 2.199 20 30 EEEDLO Cc1cc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nc(C2CC2)[nH+]1 ZINC000329482446 465348406 /nfs/dbraw/zinc/34/84/06/465348406.db2.gz PXBDUHNXLMPKFI-ZDUSSCGKSA-N 1 2 329.448 2.292 20 30 EEEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+]C2CCN(C(C)=O)CC2)C1 ZINC000329549262 465368663 /nfs/dbraw/zinc/36/86/63/465368663.db2.gz CLFGAWGLYXIRCV-MRXNPFEDSA-N 1 2 347.463 2.007 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@H](c2ccccc2F)C1 ZINC000329633615 465393246 /nfs/dbraw/zinc/39/32/46/465393246.db2.gz WTRWMUHTJMKECT-PXAZEXFGSA-N 1 2 344.390 2.394 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@H](c2ccccc2F)C1 ZINC000329633615 465393250 /nfs/dbraw/zinc/39/32/50/465393250.db2.gz WTRWMUHTJMKECT-PXAZEXFGSA-N 1 2 344.390 2.394 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000359540788 465443123 /nfs/dbraw/zinc/44/31/23/465443123.db2.gz PYPYQJZIFLQVTD-LBPRGKRZSA-N 1 2 337.351 2.160 20 30 EEEDLO Cc1csc([C@H](C)NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)n1 ZINC000329974214 465492952 /nfs/dbraw/zinc/49/29/52/465492952.db2.gz XDIRFHIFYSSXGL-QWHCGFSZSA-N 1 2 348.476 2.149 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000352239272 465509868 /nfs/dbraw/zinc/50/98/68/465509868.db2.gz UMCYNRDSKJJUFF-UKRRQHHQSA-N 1 2 332.448 2.046 20 30 EEEDLO COc1cccc(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)c1 ZINC000330067891 465523161 /nfs/dbraw/zinc/52/31/61/465523161.db2.gz UXEZKGLNCQSICI-CJNGLKHVSA-N 1 2 330.388 2.484 20 30 EEEDLO O=C(C[N@@H+]1CCc2n[nH]c(=O)cc2C1)Nc1nc2c(s1)CCCC2 ZINC000330148708 465549984 /nfs/dbraw/zinc/54/99/84/465549984.db2.gz MIFNENCBNNDPPG-UHFFFAOYSA-N 1 2 345.428 2.164 20 30 EEEDLO O=C(C[N@H+]1CCc2n[nH]c(=O)cc2C1)Nc1nc2c(s1)CCCC2 ZINC000330148708 465549990 /nfs/dbraw/zinc/54/99/90/465549990.db2.gz MIFNENCBNNDPPG-UHFFFAOYSA-N 1 2 345.428 2.164 20 30 EEEDLO Cc1c(C#N)cccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000337739330 465551084 /nfs/dbraw/zinc/55/10/84/465551084.db2.gz CBEAZSLUKULKJE-LJQANCHMSA-N 1 2 349.434 2.498 20 30 EEEDLO Cc1c(C#N)cccc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000337739330 465551086 /nfs/dbraw/zinc/55/10/86/465551086.db2.gz CBEAZSLUKULKJE-LJQANCHMSA-N 1 2 349.434 2.498 20 30 EEEDLO O=C(C[N@@H+]1CCc2n[nH]c(=O)cc2C1)N[C@H]1CCOc2ccccc21 ZINC000330165515 465555266 /nfs/dbraw/zinc/55/52/66/465555266.db2.gz UNJSDJFCTRXZFW-HNNXBMFYSA-N 1 2 340.383 2.021 20 30 EEEDLO O=C(C[N@H+]1CCc2n[nH]c(=O)cc2C1)N[C@H]1CCOc2ccccc21 ZINC000330165515 465555272 /nfs/dbraw/zinc/55/52/72/465555272.db2.gz UNJSDJFCTRXZFW-HNNXBMFYSA-N 1 2 340.383 2.021 20 30 EEEDLO CN1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)Cc2ccccc21 ZINC000330202200 465566635 /nfs/dbraw/zinc/56/66/35/465566635.db2.gz YYQGAIVSOATRMS-OAHLLOKOSA-N 1 2 325.416 2.064 20 30 EEEDLO CN1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)Cc2ccccc21 ZINC000330202200 465566641 /nfs/dbraw/zinc/56/66/41/465566641.db2.gz YYQGAIVSOATRMS-OAHLLOKOSA-N 1 2 325.416 2.064 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000352904139 465567992 /nfs/dbraw/zinc/56/79/92/465567992.db2.gz SRPJBQNQKFDHEW-OAHLLOKOSA-N 1 2 347.463 2.242 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000352904139 465567998 /nfs/dbraw/zinc/56/79/98/465567998.db2.gz SRPJBQNQKFDHEW-OAHLLOKOSA-N 1 2 347.463 2.242 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)NC(=O)NCCC)Cc1cnn(C(C)C)c1 ZINC000352914406 465569205 /nfs/dbraw/zinc/56/92/05/465569205.db2.gz KXGGJNGLTHPSBL-UHFFFAOYSA-N 1 2 335.452 2.078 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)NC(=O)NCCC)Cc1cnn(C(C)C)c1 ZINC000352914406 465569210 /nfs/dbraw/zinc/56/92/10/465569210.db2.gz KXGGJNGLTHPSBL-UHFFFAOYSA-N 1 2 335.452 2.078 20 30 EEEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000330267790 465590625 /nfs/dbraw/zinc/59/06/25/465590625.db2.gz IHHNGANGRSJDRV-GDBMZVCRSA-N 1 2 339.399 2.125 20 30 EEEDLO C[C@H](NC(=O)N1CCn2cc[nH+]c2C1)[C@H]1OCCc2sccc21 ZINC000330272588 465592222 /nfs/dbraw/zinc/59/22/22/465592222.db2.gz XTNIRBYIJZCTDV-XHDPSFHLSA-N 1 2 332.429 2.377 20 30 EEEDLO CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330328014 465613398 /nfs/dbraw/zinc/61/33/98/465613398.db2.gz LISNMFMCCBEKCM-FMKPAKJESA-N 1 2 348.447 2.388 20 30 EEEDLO C[C@H]1CN(c2ccc(CNC(=O)N(C)CC(F)(F)F)c[nH+]2)CCO1 ZINC000330371377 465633407 /nfs/dbraw/zinc/63/34/07/465633407.db2.gz ISLNMNJWTXUSFM-NSHDSACASA-N 1 2 346.353 2.215 20 30 EEEDLO CCS[C@H](C)c1noc(C[N@H+](C)CCC(=O)N(C)CCC#N)n1 ZINC000356972026 465668125 /nfs/dbraw/zinc/66/81/25/465668125.db2.gz BUTTZQJLCZAENC-GFCCVEGCSA-N 1 2 339.465 2.078 20 30 EEEDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCC(=O)N(C)CCC#N)n1 ZINC000356972026 465668129 /nfs/dbraw/zinc/66/81/29/465668129.db2.gz BUTTZQJLCZAENC-GFCCVEGCSA-N 1 2 339.465 2.078 20 30 EEEDLO CCCOc1cccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000299513054 465783742 /nfs/dbraw/zinc/78/37/42/465783742.db2.gz JISCVQHQDAGEGH-UHFFFAOYSA-N 1 2 345.443 2.163 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2c(c1)CCCC2 ZINC000299582018 465809947 /nfs/dbraw/zinc/80/99/47/465809947.db2.gz YTBMQIUKOKGMRL-UHFFFAOYSA-N 1 2 341.455 2.253 20 30 EEEDLO CSc1ccc(C)c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000299585957 465812118 /nfs/dbraw/zinc/81/21/18/465812118.db2.gz ZNXZLDPOGGAPRN-UHFFFAOYSA-N 1 2 347.484 2.405 20 30 EEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000301142812 465910615 /nfs/dbraw/zinc/91/06/15/465910615.db2.gz JIKDCJDLKVUGRD-AWEZNQCLSA-N 1 2 344.434 2.267 20 30 EEEDLO C=CCNC(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3)nc2)nc1 ZINC000301222378 465923428 /nfs/dbraw/zinc/92/34/28/465923428.db2.gz CTUQPCBBGVFNRP-UHFFFAOYSA-N 1 2 334.383 2.190 20 30 EEEDLO CCC(=O)c1cccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1 ZINC000331161957 465961555 /nfs/dbraw/zinc/96/15/55/465961555.db2.gz GHMONQQKVVNVHF-KBPBESRZSA-N 1 2 333.432 2.212 20 30 EEEDLO CCC(=O)c1cccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1 ZINC000331161957 465961564 /nfs/dbraw/zinc/96/15/64/465961564.db2.gz GHMONQQKVVNVHF-KBPBESRZSA-N 1 2 333.432 2.212 20 30 EEEDLO CC[C@H](C)c1nc(C)c(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c(C)n1 ZINC000594024123 468466281 /nfs/dbraw/zinc/46/62/81/468466281.db2.gz CGCBHWRUMMDETD-KPZWWZAWSA-N 1 2 331.464 2.110 20 30 EEEDLO C#C[C@@H](NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC)C(C)C ZINC000366994121 466061362 /nfs/dbraw/zinc/06/13/62/466061362.db2.gz BBFJDZDNNLJYDE-NVXWUHKLSA-N 1 2 340.427 2.475 20 30 EEEDLO C=CCN1CC[C@H]([NH+]2CCN(c3cncc4ccccc43)CC2)C1=O ZINC000338564768 466223386 /nfs/dbraw/zinc/22/33/86/466223386.db2.gz BJRWQAIDKMJJGC-SFHVURJKSA-N 1 2 336.439 2.144 20 30 EEEDLO CCC[N@H+](CC(=O)NC1(C#N)CCC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000347001448 466308977 /nfs/dbraw/zinc/30/89/77/466308977.db2.gz ADMBRPAWHGANPM-OAHLLOKOSA-N 1 2 342.443 2.288 20 30 EEEDLO CCC[N@@H+](CC(=O)NC1(C#N)CCC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000347001448 466308983 /nfs/dbraw/zinc/30/89/83/466308983.db2.gz ADMBRPAWHGANPM-OAHLLOKOSA-N 1 2 342.443 2.288 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1csc(Cc2ccccc2)n1 ZINC000581611329 468496102 /nfs/dbraw/zinc/49/61/02/468496102.db2.gz WDXAYYRYZVGYHS-QGZVFWFLSA-N 1 2 328.441 2.308 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000581701792 468497929 /nfs/dbraw/zinc/49/79/29/468497929.db2.gz CNWZRWSSZAOBEO-QGZVFWFLSA-N 1 2 332.404 2.466 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000374324655 467039837 /nfs/dbraw/zinc/03/98/37/467039837.db2.gz BQVRHDGXTGOKPA-IEXSPKMKSA-N 1 2 336.395 2.352 20 30 EEEDLO Cc1cc(N2CCN(C(=O)Cc3ccccc3C)CC2)c(C#N)c[nH+]1 ZINC000425218227 467088424 /nfs/dbraw/zinc/08/84/24/467088424.db2.gz DCBLOHCVNCREJO-UHFFFAOYSA-N 1 2 334.423 2.461 20 30 EEEDLO Cc1cc(NC[C@H](c2cccc(F)c2)N2CCOCC2)c(C#N)c[nH+]1 ZINC000425216299 467088633 /nfs/dbraw/zinc/08/86/33/467088633.db2.gz QHQKHQFJDZOQQW-LJQANCHMSA-N 1 2 340.402 2.308 20 30 EEEDLO Cc1cc(C[NH+]2CCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)on1 ZINC000425211760 467088831 /nfs/dbraw/zinc/08/88/31/467088831.db2.gz UVVKHXNMFUPFOK-UHFFFAOYSA-N 1 2 327.344 2.085 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429232330 467314374 /nfs/dbraw/zinc/31/43/74/467314374.db2.gz JOOJNMXJIDCUAG-CABCVRRESA-N 1 2 344.434 2.287 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429232330 467314376 /nfs/dbraw/zinc/31/43/76/467314376.db2.gz JOOJNMXJIDCUAG-CABCVRRESA-N 1 2 344.434 2.287 20 30 EEEDLO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+](C)CC(C)(C)C#N ZINC000433296255 467315893 /nfs/dbraw/zinc/31/58/93/467315893.db2.gz RSRMOQDLHQPWMU-OAHLLOKOSA-N 1 2 334.416 2.119 20 30 EEEDLO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+](C)CC(C)(C)C#N ZINC000433296255 467315896 /nfs/dbraw/zinc/31/58/96/467315896.db2.gz RSRMOQDLHQPWMU-OAHLLOKOSA-N 1 2 334.416 2.119 20 30 EEEDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429983170 467389136 /nfs/dbraw/zinc/38/91/36/467389136.db2.gz FXKPKMLQHZXRQY-UHFFFAOYSA-N 1 2 334.383 2.459 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000452922646 467440192 /nfs/dbraw/zinc/44/01/92/467440192.db2.gz DKOVLPWLEBYHSH-IXDOHACOSA-N 1 2 332.469 2.236 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000437629357 467557104 /nfs/dbraw/zinc/55/71/04/467557104.db2.gz OVFUNNWXCGVMFX-RHSMWYFYSA-N 1 2 328.416 2.157 20 30 EEEDLO CC(C)(CC#N)CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000457516851 467641109 /nfs/dbraw/zinc/64/11/09/467641109.db2.gz CJTHMMYKRIHWFT-KRWDZBQOSA-N 1 2 344.459 2.299 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2ccc(C#N)cn2)CCCO1 ZINC000496974005 467763559 /nfs/dbraw/zinc/76/35/59/467763559.db2.gz KSJVVPNQNHAWPD-INIZCTEOSA-N 1 2 346.431 2.069 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCCO1 ZINC000496974005 467763565 /nfs/dbraw/zinc/76/35/65/467763565.db2.gz KSJVVPNQNHAWPD-INIZCTEOSA-N 1 2 346.431 2.069 20 30 EEEDLO C[C@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCO1 ZINC000457390263 467813808 /nfs/dbraw/zinc/81/38/08/467813808.db2.gz PLRICXJWNSCFLQ-LJQANCHMSA-N 1 2 327.428 2.162 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1ccccc1Br ZINC000493163149 467853168 /nfs/dbraw/zinc/85/31/68/467853168.db2.gz UJLAWDAOZUJAHN-XVJNWHFHSA-N 1 2 336.233 2.422 20 30 EEEDLO CCOc1ccc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1OCC ZINC000493329049 467887884 /nfs/dbraw/zinc/88/78/84/467887884.db2.gz BSCQYFIAGQSQMO-ZMOVQZPESA-N 1 2 345.443 2.457 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1ccc(Br)cc1 ZINC000493866777 467999789 /nfs/dbraw/zinc/99/97/89/467999789.db2.gz DKHHVFWLOZPKBU-PPYMECGQSA-N 1 2 336.233 2.422 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1csc(-c2cccs2)n1 ZINC000576683524 468170068 /nfs/dbraw/zinc/17/00/68/468170068.db2.gz SNLASFYNYPILEX-OAHLLOKOSA-N 1 2 334.470 2.374 20 30 EEEDLO C=CCCOCC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000590467473 468261618 /nfs/dbraw/zinc/26/16/18/468261618.db2.gz OASAJKCXDOIWCR-SFHVURJKSA-N 1 2 346.471 2.329 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nncn3-c3ccccc3)C2)nc1 ZINC000520699666 468265573 /nfs/dbraw/zinc/26/55/73/468265573.db2.gz KSSMAIOTZOZIJC-KRWDZBQOSA-N 1 2 346.394 2.187 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nncn3-c3ccccc3)C2)nc1 ZINC000520699666 468265579 /nfs/dbraw/zinc/26/55/79/468265579.db2.gz KSSMAIOTZOZIJC-KRWDZBQOSA-N 1 2 346.394 2.187 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000556770280 468569739 /nfs/dbraw/zinc/56/97/39/468569739.db2.gz JLZOYSAMDRHXRP-PMPSAXMXSA-N 1 2 326.400 2.484 20 30 EEEDLO CCc1ccc(F)cc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000601023740 468721965 /nfs/dbraw/zinc/72/19/65/468721965.db2.gz MORLIIZYBHGVAI-UHFFFAOYSA-N 1 2 333.407 2.076 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000560069247 468764738 /nfs/dbraw/zinc/76/47/38/468764738.db2.gz XWAXQKULXWNLGY-VNQPRFMTSA-N 1 2 329.375 2.356 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](n3ccnn3)C2)cc1Cl ZINC000584109529 468801236 /nfs/dbraw/zinc/80/12/36/468801236.db2.gz KVRFYPXKCVDDKG-CQSZACIVSA-N 1 2 344.806 2.079 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](n3ccnn3)C2)cc1Cl ZINC000584109529 468801241 /nfs/dbraw/zinc/80/12/41/468801241.db2.gz KVRFYPXKCVDDKG-CQSZACIVSA-N 1 2 344.806 2.079 20 30 EEEDLO CCN1CC[C@H]([NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000595470441 468866499 /nfs/dbraw/zinc/86/64/99/468866499.db2.gz VTWNNWOPQFKESE-IRXDYDNUSA-N 1 2 346.862 2.143 20 30 EEEDLO Cc1csc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1Br ZINC000593153216 468888258 /nfs/dbraw/zinc/88/82/58/468888258.db2.gz OXDYXQGPKXJNGU-LBPRGKRZSA-N 1 2 330.251 2.393 20 30 EEEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cnn1-c1ccccc1C ZINC000593155630 468889416 /nfs/dbraw/zinc/88/94/16/468889416.db2.gz LVYKMNLNSTZRGU-SFHVURJKSA-N 1 2 325.416 2.063 20 30 EEEDLO CCOC(=O)CN(C(=O)C[N@@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595610252 468921917 /nfs/dbraw/zinc/92/19/17/468921917.db2.gz UXNHAWPSENBDNO-INIZCTEOSA-N 1 2 343.427 2.208 20 30 EEEDLO CCOC(=O)CN(C(=O)C[N@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595610252 468921920 /nfs/dbraw/zinc/92/19/20/468921920.db2.gz UXNHAWPSENBDNO-INIZCTEOSA-N 1 2 343.427 2.208 20 30 EEEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000595613964 468922997 /nfs/dbraw/zinc/92/29/97/468922997.db2.gz GJSSLWJIIHOROK-ZDUSSCGKSA-N 1 2 328.372 2.110 20 30 EEEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000595613964 468923002 /nfs/dbraw/zinc/92/30/02/468923002.db2.gz GJSSLWJIIHOROK-ZDUSSCGKSA-N 1 2 328.372 2.110 20 30 EEEDLO COc1cc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)cc(OC)c1OC ZINC000595617139 468925048 /nfs/dbraw/zinc/92/50/48/468925048.db2.gz VCURCUSHMGTGNO-ZDUSSCGKSA-N 1 2 347.415 2.277 20 30 EEEDLO COc1cc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)cc(OC)c1OC ZINC000595617139 468925051 /nfs/dbraw/zinc/92/50/51/468925051.db2.gz VCURCUSHMGTGNO-ZDUSSCGKSA-N 1 2 347.415 2.277 20 30 EEEDLO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595631220 468931030 /nfs/dbraw/zinc/93/10/30/468931030.db2.gz BYCFBHQBZJJTRS-UONOGXRCSA-N 1 2 334.489 2.435 20 30 EEEDLO CCCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633036 468931518 /nfs/dbraw/zinc/93/15/18/468931518.db2.gz UJEXTPNZABVMBW-AWEZNQCLSA-N 1 2 334.489 2.437 20 30 EEEDLO Cc1oncc1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1ccc(C#N)c(C)n1 ZINC000562329568 468937902 /nfs/dbraw/zinc/93/79/02/468937902.db2.gz DWZYQDBVGSNBCK-HOTGVXAUSA-N 1 2 329.379 2.583 20 30 EEEDLO Cc1oncc1C[N@H+]1C[C@@H](F)C[C@H]1CNc1ccc(C#N)c(C)n1 ZINC000562329568 468937907 /nfs/dbraw/zinc/93/79/07/468937907.db2.gz DWZYQDBVGSNBCK-HOTGVXAUSA-N 1 2 329.379 2.583 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC000595762444 468995986 /nfs/dbraw/zinc/99/59/86/468995986.db2.gz WVYPBQNRCDBTEH-MRXNPFEDSA-N 1 2 337.370 2.100 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@H+]1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC000595762444 468995994 /nfs/dbraw/zinc/99/59/94/468995994.db2.gz WVYPBQNRCDBTEH-MRXNPFEDSA-N 1 2 337.370 2.100 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)cc1F ZINC000610681889 469036018 /nfs/dbraw/zinc/03/60/18/469036018.db2.gz RKNIWKJWTSEIQO-KRWDZBQOSA-N 1 2 333.407 2.278 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000595892295 469066987 /nfs/dbraw/zinc/06/69/87/469066987.db2.gz LMPLJOXINXBWBM-UHFFFAOYSA-N 1 2 325.416 2.472 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000595892295 469066993 /nfs/dbraw/zinc/06/69/93/469066993.db2.gz LMPLJOXINXBWBM-UHFFFAOYSA-N 1 2 325.416 2.472 20 30 EEEDLO COC(=O)c1c2c(sc1NC(=O)C[NH2+][C@H](C)CC#N)C[C@@H](C)CC2 ZINC000602871189 469131022 /nfs/dbraw/zinc/13/10/22/469131022.db2.gz YXFHEIQXDVLEOE-WDEREUQCSA-N 1 2 349.456 2.490 20 30 EEEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2c(C#N)cnn2C)CC1 ZINC000596106720 469157967 /nfs/dbraw/zinc/15/79/67/469157967.db2.gz GVQFOEUKUORTHJ-GFCCVEGCSA-N 1 2 331.370 2.453 20 30 EEEDLO N#CCCN1CC[NH+]([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000611174577 469181754 /nfs/dbraw/zinc/18/17/54/469181754.db2.gz IBOBVOQOPQHHJR-IBGZPJMESA-N 1 2 340.471 2.271 20 30 EEEDLO CCCc1noc2nc(CC)cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c12 ZINC000565051982 469266417 /nfs/dbraw/zinc/26/64/17/469266417.db2.gz TVNOZXKXOYBFEG-GOSISDBHSA-N 1 2 343.431 2.311 20 30 EEEDLO CN(CCC[N@H+](CCC#N)CCN1CCOCC1)c1ccccc1 ZINC000574273714 469271195 /nfs/dbraw/zinc/27/11/95/469271195.db2.gz UNXUWIYYCSCTBY-UHFFFAOYSA-N 1 2 330.476 2.061 20 30 EEEDLO CN(CCC[N@@H+](CCC#N)CCN1CCOCC1)c1ccccc1 ZINC000574273714 469271196 /nfs/dbraw/zinc/27/11/96/469271196.db2.gz UNXUWIYYCSCTBY-UHFFFAOYSA-N 1 2 330.476 2.061 20 30 EEEDLO CN(CCCN(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000574273714 469271200 /nfs/dbraw/zinc/27/12/00/469271200.db2.gz UNXUWIYYCSCTBY-UHFFFAOYSA-N 1 2 330.476 2.061 20 30 EEEDLO N#Cc1nc(N(CC[NH+]2CCOCC2)CC2CC2)sc1Cl ZINC000596515436 469289674 /nfs/dbraw/zinc/28/96/74/469289674.db2.gz QLXXTQUVXLJNEG-UHFFFAOYSA-N 1 2 326.853 2.217 20 30 EEEDLO COC1CC[NH+](Cc2cn([C@@H](C)c3ccc(C#N)cc3)nn2)CC1 ZINC000603227505 469316122 /nfs/dbraw/zinc/31/61/22/469316122.db2.gz LMLZQXCRNOQGMQ-AWEZNQCLSA-N 1 2 325.416 2.370 20 30 EEEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCc4c(O)cccc4C3)C2=O)cc1 ZINC000599646938 469321896 /nfs/dbraw/zinc/32/18/96/469321896.db2.gz NEKZKPZJNSABJV-GOSISDBHSA-N 1 2 333.391 2.427 20 30 EEEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCc4c(O)cccc4C3)C2=O)cc1 ZINC000599646938 469321899 /nfs/dbraw/zinc/32/18/99/469321899.db2.gz NEKZKPZJNSABJV-GOSISDBHSA-N 1 2 333.391 2.427 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000596804193 469364114 /nfs/dbraw/zinc/36/41/14/469364114.db2.gz YGSXSBPLORCMQX-IAGOWNOFSA-N 1 2 349.438 2.134 20 30 EEEDLO CCCC(=O)NC1CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000603878289 469439671 /nfs/dbraw/zinc/43/96/71/469439671.db2.gz FYQWVAVUHYPFMX-UHFFFAOYSA-N 1 2 346.431 2.087 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)NCCC2=CCCCC2)CC1 ZINC000609484723 469932309 /nfs/dbraw/zinc/93/23/09/469932309.db2.gz FCFVHWDKOVPJGY-SFHVURJKSA-N 1 2 332.492 2.159 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](n3cncn3)C2)c1C#N ZINC000614419307 469935012 /nfs/dbraw/zinc/93/50/12/469935012.db2.gz NUDHDQNWNIQMOM-MRXNPFEDSA-N 1 2 333.399 2.091 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](n3cncn3)C2)c1C#N ZINC000614419307 469935014 /nfs/dbraw/zinc/93/50/14/469935014.db2.gz NUDHDQNWNIQMOM-MRXNPFEDSA-N 1 2 333.399 2.091 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000610002219 469973826 /nfs/dbraw/zinc/97/38/26/469973826.db2.gz PZRVHSPPKGETBO-VNHYZAJKSA-N 1 2 349.397 2.473 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000610002219 469973828 /nfs/dbraw/zinc/97/38/28/469973828.db2.gz PZRVHSPPKGETBO-VNHYZAJKSA-N 1 2 349.397 2.473 20 30 EEEDLO CC#CC[C@H](CO)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000645522793 470329983 /nfs/dbraw/zinc/32/99/83/470329983.db2.gz XLOSNDBJGUKSMY-CYBMUJFWSA-N 1 2 346.818 2.099 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ccc(CC)cc2)nn1 ZINC000640781561 471026693 /nfs/dbraw/zinc/02/66/93/471026693.db2.gz MVKCCJVWBGATKB-AWEZNQCLSA-N 1 2 325.416 2.153 20 30 EEEDLO C=CCCC(C)(C)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000663597762 471443555 /nfs/dbraw/zinc/44/35/55/471443555.db2.gz HWNCALKACHSCRD-UHFFFAOYSA-N 1 2 332.448 2.462 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000661121108 471631903 /nfs/dbraw/zinc/63/19/03/471631903.db2.gz UZRHILOPJDAQAE-NVXWUHKLSA-N 1 2 344.459 2.462 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C)[C@@H](C)COC ZINC000661243791 471687131 /nfs/dbraw/zinc/68/71/31/471687131.db2.gz NKZWZHBJBQBUDS-JTQLQIEISA-N 1 2 348.403 2.007 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C)[C@@H](C)COC ZINC000661243791 471687134 /nfs/dbraw/zinc/68/71/34/471687134.db2.gz NKZWZHBJBQBUDS-JTQLQIEISA-N 1 2 348.403 2.007 20 30 EEEDLO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000680106482 485891482 /nfs/dbraw/zinc/89/14/82/485891482.db2.gz ZFXIRVCPVWJYPL-LPHOPBHVSA-N 1 2 346.427 2.263 20 30 EEEDLO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000680106482 485891485 /nfs/dbraw/zinc/89/14/85/485891485.db2.gz ZFXIRVCPVWJYPL-LPHOPBHVSA-N 1 2 346.427 2.263 20 30 EEEDLO C=CCCN(C)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000682415478 486464207 /nfs/dbraw/zinc/46/42/07/486464207.db2.gz UGWOXKGNOMTVTA-UHFFFAOYSA-N 1 2 330.432 2.114 20 30 EEEDLO Cc1cc(N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)cc(C#N)n1 ZINC000418941513 533909713 /nfs/dbraw/zinc/90/97/13/533909713.db2.gz IIOZUVWRJOBPGD-SFHVURJKSA-N 1 2 330.432 2.162 20 30 EEEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000191147570 526303470 /nfs/dbraw/zinc/30/34/70/526303470.db2.gz YIVKXXIIQPMMOV-ZDUSSCGKSA-N 1 2 328.420 2.393 20 30 EEEDLO C=CC[N@H+](CCOC)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000191147570 526303477 /nfs/dbraw/zinc/30/34/77/526303477.db2.gz YIVKXXIIQPMMOV-ZDUSSCGKSA-N 1 2 328.420 2.393 20 30 EEEDLO C=CC[N@@H+](CCOC)[C@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000191147584 526305776 /nfs/dbraw/zinc/30/57/76/526305776.db2.gz YIVKXXIIQPMMOV-CYBMUJFWSA-N 1 2 328.420 2.393 20 30 EEEDLO C=CC[N@H+](CCOC)[C@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000191147584 526305778 /nfs/dbraw/zinc/30/57/78/526305778.db2.gz YIVKXXIIQPMMOV-CYBMUJFWSA-N 1 2 328.420 2.393 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000291677133 527628403 /nfs/dbraw/zinc/62/84/03/527628403.db2.gz WVLYBKXOLYPODS-UZLBHIALSA-N 1 2 346.471 2.445 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000291677133 527628409 /nfs/dbraw/zinc/62/84/09/527628409.db2.gz WVLYBKXOLYPODS-UZLBHIALSA-N 1 2 346.471 2.445 20 30 EEEDLO CCO[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C ZINC000451527361 535629727 /nfs/dbraw/zinc/62/97/27/535629727.db2.gz HGKPVAUQJNDDRZ-PBHICJAKSA-N 1 2 336.457 2.079 20 30 EEEDLO CCO[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C ZINC000451527361 535629732 /nfs/dbraw/zinc/62/97/32/535629732.db2.gz HGKPVAUQJNDDRZ-PBHICJAKSA-N 1 2 336.457 2.079 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1 ZINC000732061646 577146197 /nfs/dbraw/zinc/14/61/97/577146197.db2.gz IVOHNHMXOHVTCU-HNNXBMFYSA-N 1 2 333.819 2.078 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1 ZINC000732061646 577146199 /nfs/dbraw/zinc/14/61/99/577146199.db2.gz IVOHNHMXOHVTCU-HNNXBMFYSA-N 1 2 333.819 2.078 20 30 EEEDLO C#C[C@H](NC(=O)NCCC[N@@H+](CC)c1ccccc1)[C@H]1CCCO1 ZINC000773138310 577318520 /nfs/dbraw/zinc/31/85/20/577318520.db2.gz UDPVNBITMUUSAG-ZWKOTPCHSA-N 1 2 329.444 2.383 20 30 EEEDLO C#C[C@H](NC(=O)NCCC[N@H+](CC)c1ccccc1)[C@H]1CCCO1 ZINC000773138310 577318523 /nfs/dbraw/zinc/31/85/23/577318523.db2.gz UDPVNBITMUUSAG-ZWKOTPCHSA-N 1 2 329.444 2.383 20 30 EEEDLO C#C[C@@H]([NH2+]Cc1nc(-c2ccc(OCC)cc2)no1)[C@@H]1CCCO1 ZINC000775795714 577445953 /nfs/dbraw/zinc/44/59/53/577445953.db2.gz YZUVQHZIWPVAIL-CVEARBPZSA-N 1 2 327.384 2.406 20 30 EEEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)c1=O)CCC2 ZINC000766632541 577522503 /nfs/dbraw/zinc/52/25/03/577522503.db2.gz BAKXGAWPVCGHHF-NRFANRHFSA-N 1 2 347.418 2.298 20 30 EEEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)c1=O)CCC2 ZINC000766632541 577522504 /nfs/dbraw/zinc/52/25/04/577522504.db2.gz BAKXGAWPVCGHHF-NRFANRHFSA-N 1 2 347.418 2.298 20 30 EEEDLO CCOc1ccc(/C=[NH+]\C2CCN(C(=O)CCOC)CC2)c(O)c1 ZINC000767687735 577542892 /nfs/dbraw/zinc/54/28/92/577542892.db2.gz IISLOXAPXSPGOC-UYRXBGFRSA-N 1 2 334.416 2.237 20 30 EEEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000767877862 577546704 /nfs/dbraw/zinc/54/67/04/577546704.db2.gz XNCLCLJCFRUXLB-CQSZACIVSA-N 1 2 339.208 2.475 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000767877862 577546705 /nfs/dbraw/zinc/54/67/05/577546705.db2.gz XNCLCLJCFRUXLB-CQSZACIVSA-N 1 2 339.208 2.475 20 30 EEEDLO C=C(C)Cn1c(SCC[NH+]2CCOCC2)nnc1-c1ccncc1 ZINC000768416288 577555271 /nfs/dbraw/zinc/55/52/71/577555271.db2.gz WUDWHAZNOOPUTQ-UHFFFAOYSA-N 1 2 345.472 2.341 20 30 EEEDLO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758203975 577618500 /nfs/dbraw/zinc/61/85/00/577618500.db2.gz ODPPJCWHMAAFCD-QGZVFWFLSA-N 1 2 344.459 2.086 20 30 EEEDLO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758203975 577618501 /nfs/dbraw/zinc/61/85/01/577618501.db2.gz ODPPJCWHMAAFCD-QGZVFWFLSA-N 1 2 344.459 2.086 20 30 EEEDLO Cc1cc2c(c(C)c1)NC(=O)C2=NNc1ccc(-n2cc[nH+]c2)nn1 ZINC000761839361 577689885 /nfs/dbraw/zinc/68/98/85/577689885.db2.gz RGFSCBZENOLXFV-UHFFFAOYSA-N 1 2 333.355 2.047 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)C2CCC(F)(F)CC2)CC1 ZINC000763194525 577716413 /nfs/dbraw/zinc/71/64/13/577716413.db2.gz JAGYVHWTBKBAFW-UHFFFAOYSA-N 1 2 327.371 2.269 20 30 EEEDLO C#CC[N@@H+](CC(=O)NCCc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000763955727 577728641 /nfs/dbraw/zinc/72/86/41/577728641.db2.gz QAVIPCRPKOZFPR-UHFFFAOYSA-N 1 2 340.345 2.342 20 30 EEEDLO C#CC[N@H+](CC(=O)NCCc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000763955727 577728642 /nfs/dbraw/zinc/72/86/42/577728642.db2.gz QAVIPCRPKOZFPR-UHFFFAOYSA-N 1 2 340.345 2.342 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(Cl)c(C)cc2Cl)CC1 ZINC000751564340 577755431 /nfs/dbraw/zinc/75/54/31/577755431.db2.gz XNHJIQJNEPJWBU-UHFFFAOYSA-N 1 2 340.254 2.491 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000752003938 577764394 /nfs/dbraw/zinc/76/43/94/577764394.db2.gz DEHDOFSHMGMDOU-ZFWWWQNUSA-N 1 2 330.432 2.392 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000752003938 577764395 /nfs/dbraw/zinc/76/43/95/577764395.db2.gz DEHDOFSHMGMDOU-ZFWWWQNUSA-N 1 2 330.432 2.392 20 30 EEEDLO N#Cc1ccccc1N1CC[NH+](CN2C(=O)[C@H]3CCCCC[C@H]32)CC1 ZINC000749949130 577984310 /nfs/dbraw/zinc/98/43/10/577984310.db2.gz VMVJTOBWCHGYMF-PKOBYXMFSA-N 1 2 338.455 2.429 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000741784667 578124162 /nfs/dbraw/zinc/12/41/62/578124162.db2.gz LDJQYURACQMEQK-MSOLQXFVSA-N 1 2 342.443 2.178 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000736668987 578216956 /nfs/dbraw/zinc/21/69/56/578216956.db2.gz OWZLXZKCJLHVSY-GFCCVEGCSA-N 1 2 341.333 2.389 20 30 EEEDLO Cc1cc(C(=O)N[C@H](C)C2C[NH+](Cc3ccc(C#N)cc3F)C2)no1 ZINC000969263229 674766807 /nfs/dbraw/zinc/76/68/07/674766807.db2.gz GWRVMHTYDZWGTC-GFCCVEGCSA-N 1 2 342.374 2.244 20 30 EEEDLO C[C@H](NC(=O)c1cncs1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969358049 674882846 /nfs/dbraw/zinc/88/28/46/674882846.db2.gz CXKMKWAJMODEDC-NSHDSACASA-N 1 2 344.415 2.404 20 30 EEEDLO C[C@H](NC(=O)[C@@H]1CCCOC1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969388113 674932580 /nfs/dbraw/zinc/93/25/80/674932580.db2.gz BYMOHOUESLXNJX-XJKSGUPXSA-N 1 2 345.418 2.060 20 30 EEEDLO C[C@H](NC(=O)c1ccc(F)cn1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969529164 675090621 /nfs/dbraw/zinc/09/06/21/675090621.db2.gz BKUNMAFGHMICAC-ZDUSSCGKSA-N 1 2 338.386 2.343 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(C)n(C(F)F)n2)C1 ZINC000969758926 675188625 /nfs/dbraw/zinc/18/86/25/675188625.db2.gz DETYKTOOCDYCAK-JTQLQIEISA-N 1 2 332.782 2.389 20 30 EEEDLO COc1cccc(CNC(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)c1 ZINC000121067703 675993779 /nfs/dbraw/zinc/99/37/79/675993779.db2.gz NSPUIWUKHTUTRO-UHFFFAOYSA-N 1 2 345.374 2.096 20 30 EEEDLO CC#CCCCC(=O)N(C)CCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001067450295 676230707 /nfs/dbraw/zinc/23/07/07/676230707.db2.gz LXCQXRWOPDGHPB-QGZVFWFLSA-N 1 2 346.475 2.335 20 30 EEEDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCC#C[C@H]1CCCCO1 ZINC000891121120 676079948 /nfs/dbraw/zinc/07/99/48/676079948.db2.gz IHDJQHFWZLTZCK-LJQANCHMSA-N 1 2 337.423 2.163 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c(CC)nn(C)c2Cl)C1 ZINC000970707746 676093578 /nfs/dbraw/zinc/09/35/78/676093578.db2.gz FEEJDPNXKZIIOS-SNVBAGLBSA-N 1 2 345.274 2.439 20 30 EEEDLO C[C@@H](NC(=O)c1n[nH]c2c1CCC2)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970036058 675408553 /nfs/dbraw/zinc/40/85/53/675408553.db2.gz UWKGSCJNNUTFJU-CYBMUJFWSA-N 1 2 349.438 2.020 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2conc2C(F)(F)F)C1 ZINC000970159942 675599957 /nfs/dbraw/zinc/59/99/57/675599957.db2.gz ZEQUYZXGZYGLAT-QMMMGPOBSA-N 1 2 337.729 2.496 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC000970165179 675608311 /nfs/dbraw/zinc/60/83/11/675608311.db2.gz BAPQHNQDYSBRLI-SNVBAGLBSA-N 1 2 335.791 2.336 20 30 EEEDLO C[C@H](NC(=O)c1cc(F)c[nH]1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970175137 675664552 /nfs/dbraw/zinc/66/45/52/675664552.db2.gz KLNOARGEOQKKNM-NSHDSACASA-N 1 2 344.365 2.415 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(-c3ccco3)on2)C1 ZINC000971221221 676444975 /nfs/dbraw/zinc/44/49/75/676444975.db2.gz NJIVCZCOTBYOSX-TZMCWYRMSA-N 1 2 328.372 2.127 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccco3)on2)C1 ZINC000971221221 676444976 /nfs/dbraw/zinc/44/49/76/676444976.db2.gz NJIVCZCOTBYOSX-TZMCWYRMSA-N 1 2 328.372 2.127 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC000971248874 676454104 /nfs/dbraw/zinc/45/41/04/676454104.db2.gz GZMCKBCPEZVPAJ-KBXCAEBGSA-N 1 2 345.418 2.157 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC000971248874 676454106 /nfs/dbraw/zinc/45/41/06/676454106.db2.gz GZMCKBCPEZVPAJ-KBXCAEBGSA-N 1 2 345.418 2.157 20 30 EEEDLO COC(=O)[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)C1 ZINC000933174724 676501088 /nfs/dbraw/zinc/50/10/88/676501088.db2.gz YKWZVEUCKRLOIO-IUODEOHRSA-N 1 2 340.383 2.382 20 30 EEEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)C1 ZINC000933174724 676501091 /nfs/dbraw/zinc/50/10/91/676501091.db2.gz YKWZVEUCKRLOIO-IUODEOHRSA-N 1 2 340.383 2.382 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccncc2Cl)C1 ZINC000972374002 678618677 /nfs/dbraw/zinc/61/86/77/678618677.db2.gz PKSDIDJOGKZTCU-UXLLHSPISA-N 1 2 349.862 2.359 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccncc2Cl)C1 ZINC000972374002 678618679 /nfs/dbraw/zinc/61/86/79/678618679.db2.gz PKSDIDJOGKZTCU-UXLLHSPISA-N 1 2 349.862 2.359 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4nccc(C)c4c3)C2)C1 ZINC000972395141 678677351 /nfs/dbraw/zinc/67/73/51/678677351.db2.gz ZITDWGBRFOIIHF-OAQYLSRUSA-N 1 2 349.434 2.093 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4nccc(C)c4c3)C2)C1 ZINC000972395141 678677352 /nfs/dbraw/zinc/67/73/52/678677352.db2.gz ZITDWGBRFOIIHF-OAQYLSRUSA-N 1 2 349.434 2.093 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2nc(C)c(C)o2)C1 ZINC000972528681 679181691 /nfs/dbraw/zinc/18/16/91/679181691.db2.gz AEVDPASOGSFMEB-BQFCYCMXSA-N 1 2 347.459 2.305 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2nc(C)c(C)o2)C1 ZINC000972528681 679181692 /nfs/dbraw/zinc/18/16/92/679181692.db2.gz AEVDPASOGSFMEB-BQFCYCMXSA-N 1 2 347.459 2.305 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(Cl)cc3C)C2)C1 ZINC000972533614 679198407 /nfs/dbraw/zinc/19/84/07/679198407.db2.gz FRYSAKRUTIZHQM-SFHVURJKSA-N 1 2 332.831 2.199 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(Cl)cc3C)C2)C1 ZINC000972533614 679198408 /nfs/dbraw/zinc/19/84/08/679198408.db2.gz FRYSAKRUTIZHQM-SFHVURJKSA-N 1 2 332.831 2.199 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)c3cccc(F)c3)C2)C1 ZINC000972546544 679242580 /nfs/dbraw/zinc/24/25/80/679242580.db2.gz PNIIHMIJKJYSDY-OXJNMPFZSA-N 1 2 344.430 2.256 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)c3cccc(F)c3)C2)C1 ZINC000972546544 679242581 /nfs/dbraw/zinc/24/25/81/679242581.db2.gz PNIIHMIJKJYSDY-OXJNMPFZSA-N 1 2 344.430 2.256 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)c3cccc(F)c3)C2)C1 ZINC000972549177 679250822 /nfs/dbraw/zinc/25/08/22/679250822.db2.gz MSXATNUUTQLPRL-FQEVSTJZSA-N 1 2 344.430 2.040 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)c3cccc(F)c3)C2)C1 ZINC000972549177 679250823 /nfs/dbraw/zinc/25/08/23/679250823.db2.gz MSXATNUUTQLPRL-FQEVSTJZSA-N 1 2 344.430 2.040 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cc3cccs3)C2)C1 ZINC000972573506 679330000 /nfs/dbraw/zinc/33/00/00/679330000.db2.gz QQQWITLYXQHBFP-YJBOKZPZSA-N 1 2 334.485 2.416 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cc3cccs3)C2)C1 ZINC000972573506 679330002 /nfs/dbraw/zinc/33/00/02/679330002.db2.gz QQQWITLYXQHBFP-YJBOKZPZSA-N 1 2 334.485 2.416 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2nc(C)oc2C)C1 ZINC000972601368 679407039 /nfs/dbraw/zinc/40/70/39/679407039.db2.gz GTJOAMRQRMIHGT-GFCCVEGCSA-N 1 2 342.237 2.346 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2nc(C)oc2C)C1 ZINC000972601368 679407043 /nfs/dbraw/zinc/40/70/43/679407043.db2.gz GTJOAMRQRMIHGT-GFCCVEGCSA-N 1 2 342.237 2.346 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccc(C)s3)C2)C1 ZINC000972640247 679481298 /nfs/dbraw/zinc/48/12/98/679481298.db2.gz HRVXSVNEFGQPEF-QAPCUYQASA-N 1 2 332.469 2.097 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccc(C)s3)C2)C1 ZINC000972640247 679481300 /nfs/dbraw/zinc/48/13/00/679481300.db2.gz HRVXSVNEFGQPEF-QAPCUYQASA-N 1 2 332.469 2.097 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4nc(C)ccc4o3)C2)C1 ZINC000972646550 679501589 /nfs/dbraw/zinc/50/15/89/679501589.db2.gz IFMHPNQNJLANRL-LJQANCHMSA-N 1 2 341.411 2.239 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4nc(C)ccc4o3)C2)C1 ZINC000972646550 679501591 /nfs/dbraw/zinc/50/15/91/679501591.db2.gz IFMHPNQNJLANRL-LJQANCHMSA-N 1 2 341.411 2.239 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)cc(C)cc3C)C2)C1 ZINC000972665556 679541976 /nfs/dbraw/zinc/54/19/76/679541976.db2.gz XMSOEYBZMBACNP-HXUWFJFHSA-N 1 2 326.440 2.162 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)cc(C)cc3C)C2)C1 ZINC000972665556 679541978 /nfs/dbraw/zinc/54/19/78/679541978.db2.gz XMSOEYBZMBACNP-HXUWFJFHSA-N 1 2 326.440 2.162 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)COc3ccc(C)c(C)c3)C2)C1 ZINC000972666849 679548719 /nfs/dbraw/zinc/54/87/19/679548719.db2.gz IHYZMJSOWOLBPB-FQEVSTJZSA-N 1 2 344.455 2.172 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)COc3ccc(C)c(C)c3)C2)C1 ZINC000972666849 679548721 /nfs/dbraw/zinc/54/87/21/679548721.db2.gz IHYZMJSOWOLBPB-FQEVSTJZSA-N 1 2 344.455 2.172 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3ccc(F)c(F)c3)C2)C1 ZINC000972682249 679596753 /nfs/dbraw/zinc/59/67/53/679596753.db2.gz FHEZIBDDCDCDKI-IFXJQAMLSA-N 1 2 348.393 2.005 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3ccc(F)c(F)c3)C2)C1 ZINC000972682249 679596756 /nfs/dbraw/zinc/59/67/56/679596756.db2.gz FHEZIBDDCDCDKI-IFXJQAMLSA-N 1 2 348.393 2.005 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3cccc(Cl)c3)C2)C1 ZINC000972683007 679597301 /nfs/dbraw/zinc/59/73/01/679597301.db2.gz KUKLSGSFQVJDIH-HNAYVOBHSA-N 1 2 346.858 2.380 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3cccc(Cl)c3)C2)C1 ZINC000972683007 679597302 /nfs/dbraw/zinc/59/73/02/679597302.db2.gz KUKLSGSFQVJDIH-HNAYVOBHSA-N 1 2 346.858 2.380 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccccc3C)C2)C1 ZINC000972684194 679598393 /nfs/dbraw/zinc/59/83/93/679598393.db2.gz IPMJEAJNFGSZGF-RXVVDRJESA-N 1 2 340.467 2.425 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccccc3C)C2)C1 ZINC000972684194 679598394 /nfs/dbraw/zinc/59/83/94/679598394.db2.gz IPMJEAJNFGSZGF-RXVVDRJESA-N 1 2 340.467 2.425 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)n3c(C)ccc3C)C2)C1 ZINC000972689388 679607150 /nfs/dbraw/zinc/60/71/50/679607150.db2.gz XAKUWBJZODHCRJ-IEBWSBKVSA-N 1 2 331.460 2.155 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)n3c(C)ccc3C)C2)C1 ZINC000972689388 679607152 /nfs/dbraw/zinc/60/71/52/679607152.db2.gz XAKUWBJZODHCRJ-IEBWSBKVSA-N 1 2 331.460 2.155 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)c1cn[nH]c1 ZINC000972835933 679814215 /nfs/dbraw/zinc/81/42/15/679814215.db2.gz VAEPBPVADROCJG-INIZCTEOSA-N 1 2 341.390 2.061 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)c1cn[nH]c1 ZINC000972835933 679814216 /nfs/dbraw/zinc/81/42/16/679814216.db2.gz VAEPBPVADROCJG-INIZCTEOSA-N 1 2 341.390 2.061 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(C(N)=O)c1 ZINC001024515231 680017806 /nfs/dbraw/zinc/01/78/06/680017806.db2.gz OLRQUQHMMRKQCH-HNNXBMFYSA-N 1 2 335.835 2.122 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C(N)=O)c1 ZINC001024515231 680017811 /nfs/dbraw/zinc/01/78/11/680017811.db2.gz OLRQUQHMMRKQCH-HNNXBMFYSA-N 1 2 335.835 2.122 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc(C)c(C)o1 ZINC001024660473 681323976 /nfs/dbraw/zinc/32/39/76/681323976.db2.gz PBVIMRUQTLRVRE-BBWFWOEESA-N 1 2 347.459 2.353 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc(C)c(C)o1 ZINC001024660473 681323981 /nfs/dbraw/zinc/32/39/81/681323981.db2.gz PBVIMRUQTLRVRE-BBWFWOEESA-N 1 2 347.459 2.353 20 30 EEEDLO C[C@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000982828152 681342297 /nfs/dbraw/zinc/34/22/97/681342297.db2.gz ULZYKXKFYMTAGL-CRAIPNDOSA-N 1 2 327.428 2.018 20 30 EEEDLO C[C@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000982828152 681342303 /nfs/dbraw/zinc/34/23/03/681342303.db2.gz ULZYKXKFYMTAGL-CRAIPNDOSA-N 1 2 327.428 2.018 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000983080101 681756554 /nfs/dbraw/zinc/75/65/54/681756554.db2.gz XVYAIADTNDYICF-UONOGXRCSA-N 1 2 344.459 2.007 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CCC2(F)F)cc1C#N ZINC001038396446 681899924 /nfs/dbraw/zinc/89/99/24/681899924.db2.gz HRHLIUVVLFXVMO-GJZGRUSLSA-N 1 2 349.381 2.303 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CCC2(F)F)cc1C#N ZINC001038396446 681899930 /nfs/dbraw/zinc/89/99/30/681899930.db2.gz HRHLIUVVLFXVMO-GJZGRUSLSA-N 1 2 349.381 2.303 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H]2CC[N@@H+](C/C(Cl)=C/Cl)C2)c1 ZINC001028792267 682239113 /nfs/dbraw/zinc/23/91/13/682239113.db2.gz GGJPPULRQDEPJF-IUSDJGRYSA-N 1 2 338.238 2.434 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+](C/C(Cl)=C/Cl)C2)c1 ZINC001028792267 682239115 /nfs/dbraw/zinc/23/91/15/682239115.db2.gz GGJPPULRQDEPJF-IUSDJGRYSA-N 1 2 338.238 2.434 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)C3CCOCC3)C2)c1 ZINC001006545313 682252255 /nfs/dbraw/zinc/25/22/55/682252255.db2.gz MXPXGIZDLQNANL-KRWDZBQOSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)C3CCOCC3)C2)c1 ZINC001006545313 682252258 /nfs/dbraw/zinc/25/22/58/682252258.db2.gz MXPXGIZDLQNANL-KRWDZBQOSA-N 1 2 345.418 2.205 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(C)o1 ZINC001029511521 685614738 /nfs/dbraw/zinc/61/47/38/685614738.db2.gz OGOJMNZFQPECFS-MVJTYMMSSA-N 1 2 345.443 2.139 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(C)o1 ZINC001029511521 685614740 /nfs/dbraw/zinc/61/47/40/685614740.db2.gz OGOJMNZFQPECFS-MVJTYMMSSA-N 1 2 345.443 2.139 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)no1 ZINC001029203848 683527432 /nfs/dbraw/zinc/52/74/32/683527432.db2.gz NGRJYRJLUBUUQK-CALCHBBNSA-N 1 2 336.395 2.344 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)no1 ZINC001029203848 683527436 /nfs/dbraw/zinc/52/74/36/683527436.db2.gz NGRJYRJLUBUUQK-CALCHBBNSA-N 1 2 336.395 2.344 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](Cc2cccc(COC)c2)C1 ZINC001031087898 683712193 /nfs/dbraw/zinc/71/21/93/683712193.db2.gz BYPHLAQHMQEGTD-OALUTQOASA-N 1 2 344.455 2.115 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccnc(OC)c1 ZINC001038352465 683843246 /nfs/dbraw/zinc/84/32/46/683843246.db2.gz HWZOIPYCLDQJBL-INIZCTEOSA-N 1 2 340.427 2.082 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccnc(OC)c1 ZINC001038352465 683843250 /nfs/dbraw/zinc/84/32/50/683843250.db2.gz HWZOIPYCLDQJBL-INIZCTEOSA-N 1 2 340.427 2.082 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001059317320 684129898 /nfs/dbraw/zinc/12/98/98/684129898.db2.gz GCIIYOPXHISYEP-HZPDHXFCSA-N 1 2 332.448 2.155 20 30 EEEDLO C[C@H]1CO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)s2)C1 ZINC001029399321 684231618 /nfs/dbraw/zinc/23/16/18/684231618.db2.gz NNMVRCXZCWOQFJ-VWPFQQQWSA-N 1 2 345.468 2.220 20 30 EEEDLO C[C@H]1CO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)s2)C1 ZINC001029399321 684231619 /nfs/dbraw/zinc/23/16/19/684231619.db2.gz NNMVRCXZCWOQFJ-VWPFQQQWSA-N 1 2 345.468 2.220 20 30 EEEDLO N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)cc1 ZINC001026855432 685190167 /nfs/dbraw/zinc/19/01/67/685190167.db2.gz HFYVGRHGFCGRMG-KBPBESRZSA-N 1 2 343.324 2.397 20 30 EEEDLO N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)cc1 ZINC001026855432 685190172 /nfs/dbraw/zinc/19/01/72/685190172.db2.gz HFYVGRHGFCGRMG-KBPBESRZSA-N 1 2 343.324 2.397 20 30 EEEDLO CCc1cnc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C[C@@H]2C)o1 ZINC000947216199 687132826 /nfs/dbraw/zinc/13/28/26/687132826.db2.gz DXEXOBOQFVKLAQ-STQMWFEESA-N 1 2 341.415 2.220 20 30 EEEDLO CCc1cnc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C[C@@H]2C)o1 ZINC000947216199 687132827 /nfs/dbraw/zinc/13/28/27/687132827.db2.gz DXEXOBOQFVKLAQ-STQMWFEESA-N 1 2 341.415 2.220 20 30 EEEDLO Cc1cc(N[C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)nc(C2CC2)[nH+]1 ZINC001059604695 687347056 /nfs/dbraw/zinc/34/70/56/687347056.db2.gz PKRAZCXWNAUAJX-OKILXGFUSA-N 1 2 336.399 2.235 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2c[nH]c(C)n2)C1 ZINC001027333892 687522233 /nfs/dbraw/zinc/52/22/33/687522233.db2.gz FKYUMHRETMMXDR-GFCCVEGCSA-N 1 2 341.253 2.163 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)c2c[nH]c(C)n2)C1 ZINC001027333892 687522235 /nfs/dbraw/zinc/52/22/35/687522235.db2.gz FKYUMHRETMMXDR-GFCCVEGCSA-N 1 2 341.253 2.163 20 30 EEEDLO CCc1ncncc1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001009560688 687645517 /nfs/dbraw/zinc/64/55/17/687645517.db2.gz QCNVFKOVDMXQLN-SFHVURJKSA-N 1 2 348.450 2.285 20 30 EEEDLO CCc1ncncc1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001009560688 687645519 /nfs/dbraw/zinc/64/55/19/687645519.db2.gz QCNVFKOVDMXQLN-SFHVURJKSA-N 1 2 348.450 2.285 20 30 EEEDLO C[N@H+](Cc1nccs1)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001027375508 687783738 /nfs/dbraw/zinc/78/37/38/687783738.db2.gz SFLVPICIUIGSSI-AWEZNQCLSA-N 1 2 329.429 2.079 20 30 EEEDLO C[N@@H+](Cc1nccs1)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001027375508 687783741 /nfs/dbraw/zinc/78/37/41/687783741.db2.gz SFLVPICIUIGSSI-AWEZNQCLSA-N 1 2 329.429 2.079 20 30 EEEDLO C[N@H+](Cc1nc2c(o1)CCCC2)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027407114 687950570 /nfs/dbraw/zinc/95/05/70/687950570.db2.gz ABQHJQOOQXZNRT-INIZCTEOSA-N 1 2 341.455 2.390 20 30 EEEDLO C[N@@H+](Cc1nc2c(o1)CCCC2)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027407114 687950572 /nfs/dbraw/zinc/95/05/72/687950572.db2.gz ABQHJQOOQXZNRT-INIZCTEOSA-N 1 2 341.455 2.390 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc3n[nH]nc32)C1 ZINC001027423329 688050781 /nfs/dbraw/zinc/05/07/81/688050781.db2.gz CLYACSYROICGJM-LBPRGKRZSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)c2cccc3n[nH]nc32)C1 ZINC001027423329 688050786 /nfs/dbraw/zinc/05/07/86/688050786.db2.gz CLYACSYROICGJM-LBPRGKRZSA-N 1 2 333.823 2.247 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2cc(Br)[nH]n2)[C@H]1C ZINC000986321139 688492775 /nfs/dbraw/zinc/49/27/75/688492775.db2.gz PJTPPJALZRENDS-IUCAKERBSA-N 1 2 347.644 2.117 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060174783 694242955 /nfs/dbraw/zinc/24/29/55/694242955.db2.gz BSAAWGCNULBUTE-GDBMZVCRSA-N 1 2 346.475 2.218 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2C[C@@H](Nc3nc(N(C)C)nc(C)[nH+]3)C2)CC1 ZINC001059805679 689794253 /nfs/dbraw/zinc/79/42/53/689794253.db2.gz RKIISZVBRDGOMM-GASCZTMLSA-N 1 2 344.463 2.052 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001059966573 691593896 /nfs/dbraw/zinc/59/38/96/691593896.db2.gz LMQPQXMJEFSXES-ZACQAIPSSA-N 1 2 344.459 2.099 20 30 EEEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H](c3ccnn3C)C2)cc1 ZINC000897557863 691608454 /nfs/dbraw/zinc/60/84/54/691608454.db2.gz CCOPYCMVYDKIMK-KSSFIOAISA-N 1 2 326.400 2.284 20 30 EEEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H](c3ccnn3C)C2)cc1 ZINC000897557863 691608457 /nfs/dbraw/zinc/60/84/57/691608457.db2.gz CCOPYCMVYDKIMK-KSSFIOAISA-N 1 2 326.400 2.284 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@]2(NC(=O)c3ccn[nH]3)CCC[C@H]12 ZINC000989971298 692543335 /nfs/dbraw/zinc/54/33/35/692543335.db2.gz WBJMPEQSITTXFA-JSGCOSHPSA-N 1 2 339.237 2.045 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@]2(NC(=O)c3ccn[nH]3)CCC[C@H]12 ZINC000989971298 692543340 /nfs/dbraw/zinc/54/33/40/692543340.db2.gz WBJMPEQSITTXFA-JSGCOSHPSA-N 1 2 339.237 2.045 20 30 EEEDLO Cc1conc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)CC1(C)C ZINC000977423707 692615574 /nfs/dbraw/zinc/61/55/74/692615574.db2.gz HYPQQSPQZHJVKB-QGZVFWFLSA-N 1 2 337.423 2.475 20 30 EEEDLO Cc1conc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC1(C)C ZINC000977423707 692615580 /nfs/dbraw/zinc/61/55/80/692615580.db2.gz HYPQQSPQZHJVKB-QGZVFWFLSA-N 1 2 337.423 2.475 20 30 EEEDLO C=C1CCC(C(=O)N(C)C[C@H]2CCN2C(=O)CCn2cc[nH+]c2)CC1 ZINC000978334324 693504606 /nfs/dbraw/zinc/50/46/06/693504606.db2.gz BSKIHAARROGZDT-QGZVFWFLSA-N 1 2 344.459 2.079 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000943515931 1192326282 /nfs/dbraw/zinc/32/62/82/1192326282.db2.gz UJSBIFLZCFQQDE-INIZCTEOSA-N 1 2 344.459 2.127 20 30 EEEDLO CCN(CC[NH2+]Cc1ccccc1C#N)C(=O)C(F)C(F)(F)F ZINC001754046315 1177008428 /nfs/dbraw/zinc/00/84/28/1177008428.db2.gz WWUYWOHGDZRRKL-ZDUSSCGKSA-N 1 2 331.313 2.397 20 30 EEEDLO CN(C)c1cccc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c1 ZINC001032149903 1192779786 /nfs/dbraw/zinc/77/97/86/1192779786.db2.gz BKPOIWINJPPDLI-UHFFFAOYSA-N 1 2 347.462 2.466 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC001032198698 1193017900 /nfs/dbraw/zinc/01/79/00/1193017900.db2.gz PEPMAMWWGVPRDQ-QGZVFWFLSA-N 1 2 334.847 2.407 20 30 EEEDLO C=C(C)CN1CC[C@]2(CCCN2C(=O)c2c[nH]c3cc[nH+]cc23)C1=O ZINC001270139257 1184876618 /nfs/dbraw/zinc/87/66/18/1184876618.db2.gz SZDHYRBVOYWCGE-LJQANCHMSA-N 1 2 338.411 2.346 20 30 EEEDLO C[NH+](C)Cc1nc(CSCCNc2ncc(C#N)cn2)cs1 ZINC001168106998 1186761055 /nfs/dbraw/zinc/76/10/55/1186761055.db2.gz YMUWLRZLSALZQE-UHFFFAOYSA-N 1 2 334.474 2.212 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccccn2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088446089 1186899779 /nfs/dbraw/zinc/89/97/79/1186899779.db2.gz OGVCYVMMDQZPDZ-DYVFJYSZSA-N 1 2 338.386 2.485 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccccn2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088446089 1186899785 /nfs/dbraw/zinc/89/97/85/1186899785.db2.gz OGVCYVMMDQZPDZ-DYVFJYSZSA-N 1 2 338.386 2.485 20 30 EEEDLO Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)c1C ZINC001088496957 1187045269 /nfs/dbraw/zinc/04/52/69/1187045269.db2.gz YXSBXDPCGKSSDO-PBHICJAKSA-N 1 2 337.427 2.291 20 30 EEEDLO Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)[C@@H]2C)c1C ZINC001088496957 1187045273 /nfs/dbraw/zinc/04/52/73/1187045273.db2.gz YXSBXDPCGKSSDO-PBHICJAKSA-N 1 2 337.427 2.291 20 30 EEEDLO CC(C)(CNCC#N)C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001101573838 1187305770 /nfs/dbraw/zinc/30/57/70/1187305770.db2.gz GAOFSVKWZMMIIV-OAHLLOKOSA-N 1 2 343.475 2.208 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCC[C@](CO)(Nc2cc[nH+]c(C)n2)C1 ZINC001112230140 1187438970 /nfs/dbraw/zinc/43/89/70/1187438970.db2.gz SHBLMWDZUBANHJ-IBGZPJMESA-N 1 2 344.459 2.319 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)/C=C(\C)C1CC1 ZINC001211954593 1187456369 /nfs/dbraw/zinc/45/63/69/1187456369.db2.gz NXILLAOHYONHTL-LXMHCMAISA-N 1 2 339.439 2.230 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)/C=C(\C)C1CC1 ZINC001211954593 1187456373 /nfs/dbraw/zinc/45/63/73/1187456373.db2.gz NXILLAOHYONHTL-LXMHCMAISA-N 1 2 339.439 2.230 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCCCCCC2=O)[C@H]1C ZINC001088606417 1187600689 /nfs/dbraw/zinc/60/06/89/1187600689.db2.gz RNRISNGQSZMZQT-CABCVRRESA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCCCCCC2=O)[C@H]1C ZINC001088606417 1187600692 /nfs/dbraw/zinc/60/06/92/1187600692.db2.gz RNRISNGQSZMZQT-CABCVRRESA-N 1 2 341.883 2.111 20 30 EEEDLO C/C=C(/C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001212095186 1187871563 /nfs/dbraw/zinc/87/15/63/1187871563.db2.gz VCOYOAWMLLDDKT-GHXQHCIVSA-N 1 2 346.858 2.473 20 30 EEEDLO C/C=C(/C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1OC ZINC001212095186 1187871564 /nfs/dbraw/zinc/87/15/64/1187871564.db2.gz VCOYOAWMLLDDKT-GHXQHCIVSA-N 1 2 346.858 2.473 20 30 EEEDLO CCCC#CC(=O)N1CC2(CC[N@@H+]2Cc2ccc(NC(C)=O)cc2)C1 ZINC001272109338 1187914916 /nfs/dbraw/zinc/91/49/16/1187914916.db2.gz OUKPPADILKYMKD-UHFFFAOYSA-N 1 2 339.439 2.235 20 30 EEEDLO CCCC#CC(=O)N1CC2(CC[N@H+]2Cc2ccc(NC(C)=O)cc2)C1 ZINC001272109338 1187914919 /nfs/dbraw/zinc/91/49/19/1187914919.db2.gz OUKPPADILKYMKD-UHFFFAOYSA-N 1 2 339.439 2.235 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3oc(=O)[nH]c3c2)[C@H]1C ZINC001088639202 1188026577 /nfs/dbraw/zinc/02/65/77/1188026577.db2.gz KODQIMOQOUFFTN-PWSUYJOCSA-N 1 2 335.791 2.479 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3oc(=O)[nH]c3c2)[C@H]1C ZINC001088639202 1188026584 /nfs/dbraw/zinc/02/65/84/1188026584.db2.gz KODQIMOQOUFFTN-PWSUYJOCSA-N 1 2 335.791 2.479 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn3c(n2)C[C@H](C)CC3)[C@H]1C ZINC001088660991 1188066179 /nfs/dbraw/zinc/06/61/79/1188066179.db2.gz QOVAFONSJHKWQN-BNOWGMLFSA-N 1 2 336.867 2.411 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn3c(n2)C[C@H](C)CC3)[C@H]1C ZINC001088660991 1188066183 /nfs/dbraw/zinc/06/61/83/1188066183.db2.gz QOVAFONSJHKWQN-BNOWGMLFSA-N 1 2 336.867 2.411 20 30 EEEDLO Cc1ccc(C#N)c(N(C)CCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC001105580147 1188196098 /nfs/dbraw/zinc/19/60/98/1188196098.db2.gz JCFPJJRYIAMTEK-OAHLLOKOSA-N 1 2 340.431 2.004 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCC[C@@H]1CNc1[nH+]cnc2c1cnn2C ZINC001105648175 1188362508 /nfs/dbraw/zinc/36/25/08/1188362508.db2.gz WORGBIIFAYYLMX-TZMCWYRMSA-N 1 2 328.420 2.026 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088784324 1188506963 /nfs/dbraw/zinc/50/69/63/1188506963.db2.gz SSZFKHSBLNYIHS-PXAZEXFGSA-N 1 2 341.390 2.122 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088784324 1188506964 /nfs/dbraw/zinc/50/69/64/1188506964.db2.gz SSZFKHSBLNYIHS-PXAZEXFGSA-N 1 2 341.390 2.122 20 30 EEEDLO Cc1ccccc1-c1noc(C[NH2+]CCNC(=O)C#CC(C)(C)C)n1 ZINC001126916246 1188656301 /nfs/dbraw/zinc/65/63/01/1188656301.db2.gz PRJYJXSFFQUABP-UHFFFAOYSA-N 1 2 340.427 2.300 20 30 EEEDLO CCC(CC)CN(CCC#N)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783976620 1188660018 /nfs/dbraw/zinc/66/00/18/1188660018.db2.gz DYWOFFPQFIOFCM-MRXNPFEDSA-N 1 2 331.464 2.345 20 30 EEEDLO Cc1cc(C)c(C[NH+]2CC3(C2)CN(CCCC#N)C(=O)CO3)c(C)c1 ZINC001272640202 1190947374 /nfs/dbraw/zinc/94/73/74/1190947374.db2.gz UHOBFKUXIXPRNG-UHFFFAOYSA-N 1 2 341.455 2.329 20 30 EEEDLO N#CCCCN1C[C@@]2(CC[N@@H+](Cc3c(F)cccc3F)C2)OCC1=O ZINC001272973417 1194281587 /nfs/dbraw/zinc/28/15/87/1194281587.db2.gz AJPFTHNSDOBKIY-SFHVURJKSA-N 1 2 349.381 2.072 20 30 EEEDLO N#CCCCN1C[C@@]2(CC[N@H+](Cc3c(F)cccc3F)C2)OCC1=O ZINC001272973417 1194281590 /nfs/dbraw/zinc/28/15/90/1194281590.db2.gz AJPFTHNSDOBKIY-SFHVURJKSA-N 1 2 349.381 2.072 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2C(F)(F)F)C1 ZINC001033414231 1194533666 /nfs/dbraw/zinc/53/36/66/1194533666.db2.gz ZIZUHGCVXLCWCL-LLVKDONJSA-N 1 2 330.354 2.459 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2C(F)(F)F)C1 ZINC001033414231 1194533669 /nfs/dbraw/zinc/53/36/69/1194533669.db2.gz ZIZUHGCVXLCWCL-LLVKDONJSA-N 1 2 330.354 2.459 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)c2ncoc2C)CC1 ZINC001005161935 1194637657 /nfs/dbraw/zinc/63/76/57/1194637657.db2.gz PDZBRDOJVGJPKC-UHFFFAOYSA-N 1 2 342.237 2.428 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001033497353 1194649016 /nfs/dbraw/zinc/64/90/16/1194649016.db2.gz MFLFBNHJALJYLW-ZOBUZTSGSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001033497353 1194649018 /nfs/dbraw/zinc/64/90/18/1194649018.db2.gz MFLFBNHJALJYLW-ZOBUZTSGSA-N 1 2 349.500 2.465 20 30 EEEDLO CN(C(=O)c1nccs1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033522653 1194690082 /nfs/dbraw/zinc/69/00/82/1194690082.db2.gz RZLBNVLRZKDSBS-HNNXBMFYSA-N 1 2 326.425 2.361 20 30 EEEDLO CN(C(=O)c1nccs1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033522653 1194690084 /nfs/dbraw/zinc/69/00/84/1194690084.db2.gz RZLBNVLRZKDSBS-HNNXBMFYSA-N 1 2 326.425 2.361 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(P(C)(C)=O)cc2)C1 ZINC001033684820 1195066329 /nfs/dbraw/zinc/06/63/29/1195066329.db2.gz MKYZBUYQNNIJCX-INIZCTEOSA-N 1 2 332.384 2.104 20 30 EEEDLO CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(P(C)(C)=O)cc2)C1 ZINC001033684820 1195066332 /nfs/dbraw/zinc/06/63/32/1195066332.db2.gz MKYZBUYQNNIJCX-INIZCTEOSA-N 1 2 332.384 2.104 20 30 EEEDLO C#Cc1ccc(C(=O)N(CC)[C@H]2CC[N@H+](Cc3ccn(C)n3)C2)cc1 ZINC001033914467 1195473584 /nfs/dbraw/zinc/47/35/84/1195473584.db2.gz DHJBLMMQLRJXDW-IBGZPJMESA-N 1 2 336.439 2.138 20 30 EEEDLO C#Cc1ccc(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3ccn(C)n3)C2)cc1 ZINC001033914467 1195473585 /nfs/dbraw/zinc/47/35/85/1195473585.db2.gz DHJBLMMQLRJXDW-IBGZPJMESA-N 1 2 336.439 2.138 20 30 EEEDLO C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]cc1Br ZINC001018076080 1224298945 /nfs/dbraw/zinc/29/89/45/1224298945.db2.gz WQLRIBKEXZRLFW-PHIMTYICSA-N 1 2 339.237 2.037 20 30 EEEDLO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]cc1Br ZINC001018076080 1224298951 /nfs/dbraw/zinc/29/89/51/1224298951.db2.gz WQLRIBKEXZRLFW-PHIMTYICSA-N 1 2 339.237 2.037 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001034139922 1195813757 /nfs/dbraw/zinc/81/37/57/1195813757.db2.gz UXIFCDUZJCDKIO-ZIAGYGMSSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001034139922 1195813762 /nfs/dbraw/zinc/81/37/62/1195813762.db2.gz UXIFCDUZJCDKIO-ZIAGYGMSSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccc3ncnn32)C1 ZINC001034293003 1196058203 /nfs/dbraw/zinc/05/82/03/1196058203.db2.gz JMFUJCBUZVSZPE-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cccc3ncnn32)C1 ZINC001034293003 1196058205 /nfs/dbraw/zinc/05/82/05/1196058205.db2.gz JMFUJCBUZVSZPE-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](Cc3ncc(C)o3)C2)nc1 ZINC001034492339 1196281645 /nfs/dbraw/zinc/28/16/45/1196281645.db2.gz CDMYTDUDVYTLRJ-INIZCTEOSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](Cc3ncc(C)o3)C2)nc1 ZINC001034492339 1196281649 /nfs/dbraw/zinc/28/16/49/1196281649.db2.gz CDMYTDUDVYTLRJ-INIZCTEOSA-N 1 2 338.411 2.144 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2c(C)nn3cccnc23)C1 ZINC001034532269 1196340949 /nfs/dbraw/zinc/34/09/49/1196340949.db2.gz MJVLKYYPOREEBU-CQSZACIVSA-N 1 2 347.850 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2c(C)nn3cccnc23)C1 ZINC001034532269 1196340952 /nfs/dbraw/zinc/34/09/52/1196340952.db2.gz MJVLKYYPOREEBU-CQSZACIVSA-N 1 2 347.850 2.375 20 30 EEEDLO COCc1cncc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)c1 ZINC001014779846 1224338239 /nfs/dbraw/zinc/33/82/39/1224338239.db2.gz OCKONYRJQPEJMH-FQEVSTJZSA-N 1 2 349.434 2.084 20 30 EEEDLO COCc1cncc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC001014779846 1224338245 /nfs/dbraw/zinc/33/82/45/1224338245.db2.gz OCKONYRJQPEJMH-FQEVSTJZSA-N 1 2 349.434 2.084 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001014800172 1224366362 /nfs/dbraw/zinc/36/63/62/1224366362.db2.gz GVNAKZNTFDFRNA-KYJSFNMBSA-N 1 2 345.418 2.203 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001014800172 1224366369 /nfs/dbraw/zinc/36/63/69/1224366369.db2.gz GVNAKZNTFDFRNA-KYJSFNMBSA-N 1 2 345.418 2.203 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1noc2c1C[C@H](C)CC2 ZINC001018132242 1224371819 /nfs/dbraw/zinc/37/18/19/1224371819.db2.gz HTAQUVGYDVAYML-KFWWJZLASA-N 1 2 327.428 2.112 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1noc2c1C[C@H](C)CC2 ZINC001018132242 1224371822 /nfs/dbraw/zinc/37/18/22/1224371822.db2.gz HTAQUVGYDVAYML-KFWWJZLASA-N 1 2 327.428 2.112 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1C(F)(F)F ZINC001018140053 1224382101 /nfs/dbraw/zinc/38/21/01/1224382101.db2.gz DGJPLNMJLDZMGD-BETUJISGSA-N 1 2 337.345 2.413 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1C(F)(F)F ZINC001018140053 1224382110 /nfs/dbraw/zinc/38/21/10/1224382110.db2.gz DGJPLNMJLDZMGD-BETUJISGSA-N 1 2 337.345 2.413 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C2CCCCC2)c1 ZINC001018150095 1224396736 /nfs/dbraw/zinc/39/67/36/1224396736.db2.gz NYPBQEZTBHSVJD-HDICACEKSA-N 1 2 326.444 2.310 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C2CCCCC2)c1 ZINC001018150095 1224396743 /nfs/dbraw/zinc/39/67/43/1224396743.db2.gz NYPBQEZTBHSVJD-HDICACEKSA-N 1 2 326.444 2.310 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cn2ccncc2n1 ZINC001273208088 1197541538 /nfs/dbraw/zinc/54/15/38/1197541538.db2.gz NBBQAXMRPWLQMH-LJQANCHMSA-N 1 2 339.443 2.262 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cn2ccncc2n1 ZINC001273208088 1197541541 /nfs/dbraw/zinc/54/15/41/1197541541.db2.gz NBBQAXMRPWLQMH-LJQANCHMSA-N 1 2 339.443 2.262 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1Br ZINC001273260771 1197842736 /nfs/dbraw/zinc/84/27/36/1197842736.db2.gz MNNFGMYIRIUJMI-ZIAGYGMSSA-N 1 2 348.244 2.043 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1Br ZINC001273260771 1197842749 /nfs/dbraw/zinc/84/27/49/1197842749.db2.gz MNNFGMYIRIUJMI-ZIAGYGMSSA-N 1 2 348.244 2.043 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCc2nc(C)no2)[C@@H]1C ZINC001410934466 1198603942 /nfs/dbraw/zinc/60/39/42/1198603942.db2.gz UBUODYTZTCDWIB-JSGCOSHPSA-N 1 2 340.855 2.422 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCc2nc(C)no2)[C@@H]1C ZINC001410934466 1198603944 /nfs/dbraw/zinc/60/39/44/1198603944.db2.gz UBUODYTZTCDWIB-JSGCOSHPSA-N 1 2 340.855 2.422 20 30 EEEDLO C=C(Cl)C[NH2+]C[C@@H](NC(=O)c1ccc2[nH]nnc2c1)C(C)(C)C ZINC001411218145 1198927802 /nfs/dbraw/zinc/92/78/02/1198927802.db2.gz BDHHKKJXWUMNHH-CQSZACIVSA-N 1 2 335.839 2.445 20 30 EEEDLO N#Cc1ccc(OCC(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)cc1 ZINC000874894542 1199063211 /nfs/dbraw/zinc/06/32/11/1199063211.db2.gz QQQAUSYQKSFTOR-SFHVURJKSA-N 1 2 339.370 2.249 20 30 EEEDLO C[C@H](O[NH+]=C(N)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020887377 1199168890 /nfs/dbraw/zinc/16/88/90/1199168890.db2.gz GGWONKFPGYOYFW-NSHDSACASA-N 1 2 328.328 2.259 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2sc(C)cc2C)CC[C@@H]1C ZINC001132061325 1199250304 /nfs/dbraw/zinc/25/03/04/1199250304.db2.gz SCXKZTOOSYVIJK-ZFWWWQNUSA-N 1 2 349.500 2.250 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2sc(C)cc2C)CC[C@@H]1C ZINC001132061325 1199250308 /nfs/dbraw/zinc/25/03/08/1199250308.db2.gz SCXKZTOOSYVIJK-ZFWWWQNUSA-N 1 2 349.500 2.250 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CNC(=O)CCC(C)C)CC[C@H]1C ZINC001132360717 1199627311 /nfs/dbraw/zinc/62/73/11/1199627311.db2.gz VTMREPWLIPYUNX-HUUCEWRRSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CNC(=O)CCC(C)C)CC[C@H]1C ZINC001132360717 1199627316 /nfs/dbraw/zinc/62/73/16/1199627316.db2.gz VTMREPWLIPYUNX-HUUCEWRRSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCC(=O)NC(C)C)CC[C@H]1C ZINC001132429615 1199696182 /nfs/dbraw/zinc/69/61/82/1199696182.db2.gz NHJDKSCJBSXPKU-HUUCEWRRSA-N 1 2 343.899 2.403 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCC(=O)NC(C)C)CC[C@H]1C ZINC001132429615 1199696186 /nfs/dbraw/zinc/69/61/86/1199696186.db2.gz NHJDKSCJBSXPKU-HUUCEWRRSA-N 1 2 343.899 2.403 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3cnnn3C)C2)CCCC1 ZINC001132546695 1199843699 /nfs/dbraw/zinc/84/36/99/1199843699.db2.gz PXRICAPCSHAONI-HZPDHXFCSA-N 1 2 345.491 2.421 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3cnnn3C)C2)CCCC1 ZINC001132546695 1199843702 /nfs/dbraw/zinc/84/37/02/1199843702.db2.gz PXRICAPCSHAONI-HZPDHXFCSA-N 1 2 345.491 2.421 20 30 EEEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc(-c2ccc(F)cc2)no1 ZINC001133144916 1200516439 /nfs/dbraw/zinc/51/64/39/1200516439.db2.gz HJCQXIOGKDORBR-UHFFFAOYSA-N 1 2 332.379 2.438 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCn3nccc32)C1 ZINC001014986781 1224616611 /nfs/dbraw/zinc/61/66/11/1224616611.db2.gz HVQQFXYKJGHGAY-MSOLQXFVSA-N 1 2 349.438 2.023 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCn3nccc32)C1 ZINC001014986781 1224616616 /nfs/dbraw/zinc/61/66/16/1224616616.db2.gz HVQQFXYKJGHGAY-MSOLQXFVSA-N 1 2 349.438 2.023 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C(C)C)C2)CC1 ZINC001018366373 1224650281 /nfs/dbraw/zinc/65/02/81/1224650281.db2.gz LYETVIJGPXJEGD-QGZVFWFLSA-N 1 2 349.519 2.237 20 30 EEEDLO CN(C)c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cn1 ZINC001015050503 1224686742 /nfs/dbraw/zinc/68/67/42/1224686742.db2.gz SIXQVFQHGZVJSC-GOSISDBHSA-N 1 2 349.438 2.024 20 30 EEEDLO CN(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cn1 ZINC001015050503 1224686744 /nfs/dbraw/zinc/68/67/44/1224686744.db2.gz SIXQVFQHGZVJSC-GOSISDBHSA-N 1 2 349.438 2.024 20 30 EEEDLO N#CCN1CCC([NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000882988150 1201991741 /nfs/dbraw/zinc/99/17/41/1201991741.db2.gz COSVCIZNTGCIII-UHFFFAOYSA-N 1 2 342.212 2.371 20 30 EEEDLO CC(C)(C#N)c1ccccc1Cn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883992417 1202192717 /nfs/dbraw/zinc/19/27/17/1202192717.db2.gz NYRDAMAGJLDCOK-UHFFFAOYSA-N 1 2 339.443 2.084 20 30 EEEDLO C=CCC1(O)CCN(C(=O)NCc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000884108728 1202234236 /nfs/dbraw/zinc/23/42/36/1202234236.db2.gz KUINRNVAHHRHBO-UHFFFAOYSA-N 1 2 333.432 2.320 20 30 EEEDLO Cc1csc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(C#N)c2)C3)n1 ZINC001095329344 1202318299 /nfs/dbraw/zinc/31/82/99/1202318299.db2.gz IAYFFSPWCNOCEZ-ILXRZTDVSA-N 1 2 341.440 2.187 20 30 EEEDLO Cc1csc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(C#N)c2)C3)n1 ZINC001095329344 1202318302 /nfs/dbraw/zinc/31/83/02/1202318302.db2.gz IAYFFSPWCNOCEZ-ILXRZTDVSA-N 1 2 341.440 2.187 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@H+]2CC(=O)Nc2c(C)cccc2C)C1=O ZINC001273999906 1204196441 /nfs/dbraw/zinc/19/64/41/1204196441.db2.gz RLKWTUOAOSOWJL-HXUWFJFHSA-N 1 2 341.455 2.495 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@@H+]2CC(=O)Nc2c(C)cccc2C)C1=O ZINC001273999906 1204196443 /nfs/dbraw/zinc/19/64/43/1204196443.db2.gz RLKWTUOAOSOWJL-HXUWFJFHSA-N 1 2 341.455 2.495 20 30 EEEDLO CCOC(=O)CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC#N ZINC001274031494 1204337469 /nfs/dbraw/zinc/33/74/69/1204337469.db2.gz RZHQFIIRCZGOIV-SFHVURJKSA-N 1 2 335.448 2.090 20 30 EEEDLO CCOC(=O)CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCC#N ZINC001274031494 1204337473 /nfs/dbraw/zinc/33/74/73/1204337473.db2.gz RZHQFIIRCZGOIV-SFHVURJKSA-N 1 2 335.448 2.090 20 30 EEEDLO Cc1nc(N2CCC(C)(CNC(=O)[C@@H](C)C#N)CC2)c(C)c(C)[nH+]1 ZINC001110872658 1204949437 /nfs/dbraw/zinc/94/94/37/1204949437.db2.gz MAUPZKIMKWLFRU-LBPRGKRZSA-N 1 2 329.448 2.284 20 30 EEEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1nc3cc(F)ccc3[nH]1)CC2 ZINC001274380810 1205015889 /nfs/dbraw/zinc/01/58/89/1205015889.db2.gz HLUJAEHJUFYPLJ-CQSZACIVSA-N 1 2 340.402 2.054 20 30 EEEDLO C#CCN1C(=O)COCC12C[NH+](Cc1ccc(C(C)(C)CC)cc1)C2 ZINC001274477895 1205052453 /nfs/dbraw/zinc/05/24/53/1205052453.db2.gz KOGQGZTXBIAKOD-UHFFFAOYSA-N 1 2 340.467 2.421 20 30 EEEDLO N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2cc(C#N)ccc2O)C1=O ZINC001274665693 1205122878 /nfs/dbraw/zinc/12/28/78/1205122878.db2.gz ATZWYBGGVJAWDH-LJQANCHMSA-N 1 2 338.411 2.135 20 30 EEEDLO N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(C#N)ccc2O)C1=O ZINC001274665693 1205122884 /nfs/dbraw/zinc/12/28/84/1205122884.db2.gz ATZWYBGGVJAWDH-LJQANCHMSA-N 1 2 338.411 2.135 20 30 EEEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C#N)ccc2O)C1=O ZINC001274667857 1205124849 /nfs/dbraw/zinc/12/48/49/1205124849.db2.gz RNYAFNGQAQWNLK-IBGZPJMESA-N 1 2 325.412 2.407 20 30 EEEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc(C#N)ccc2O)C1=O ZINC001274667857 1205124851 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C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1NC(=O)c1ccn[nH]1 ZINC000965326259 1219024281 /nfs/dbraw/zinc/02/42/81/1219024281.db2.gz QZBANDCDRAFFRD-SJCJKPOMSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000965899673 1219338941 /nfs/dbraw/zinc/33/89/41/1219338941.db2.gz GQASUZDLKFSTLO-KUHUBIRLSA-N 1 2 347.422 2.398 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000965899673 1219338945 /nfs/dbraw/zinc/33/89/45/1219338945.db2.gz GQASUZDLKFSTLO-KUHUBIRLSA-N 1 2 347.422 2.398 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(F)cn2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000965901038 1219339733 /nfs/dbraw/zinc/33/97/33/1219339733.db2.gz OETLEEUHSLPFPZ-SJCJKPOMSA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000965901038 1219339737 /nfs/dbraw/zinc/33/97/37/1219339737.db2.gz OETLEEUHSLPFPZ-SJCJKPOMSA-N 1 2 341.390 2.061 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)C2)C1 ZINC000967118137 1220288661 /nfs/dbraw/zinc/28/86/61/1220288661.db2.gz OKKAQDTUPDRQOV-CQSZACIVSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC000967188282 1220333656 /nfs/dbraw/zinc/33/36/56/1220333656.db2.gz YJNLEGDRHMPSNV-NHYWBVRUSA-N 1 2 336.867 2.481 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC000967188282 1220333661 /nfs/dbraw/zinc/33/36/61/1220333661.db2.gz YJNLEGDRHMPSNV-NHYWBVRUSA-N 1 2 336.867 2.481 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC001016023242 1225967864 /nfs/dbraw/zinc/96/78/64/1225967864.db2.gz HXVQIRIKEUDYQG-CQSZACIVSA-N 1 2 332.791 2.293 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC001016023242 1225967868 /nfs/dbraw/zinc/96/78/68/1225967868.db2.gz HXVQIRIKEUDYQG-CQSZACIVSA-N 1 2 332.791 2.293 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnn3cc(C)cnc23)C1 ZINC000968373333 1221250248 /nfs/dbraw/zinc/25/02/48/1221250248.db2.gz HOIYHFVVZGLDOG-DOMZBBRYSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnn3cc(C)cnc23)C1 ZINC000968373333 1221250252 /nfs/dbraw/zinc/25/02/52/1221250252.db2.gz HOIYHFVVZGLDOG-DOMZBBRYSA-N 1 2 347.850 2.230 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC000968382390 1221259973 /nfs/dbraw/zinc/25/99/73/1221259973.db2.gz OQDHABJVXUUJQA-SWLSCSKDSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC000968382390 1221259976 /nfs/dbraw/zinc/25/99/76/1221259976.db2.gz OQDHABJVXUUJQA-SWLSCSKDSA-N 1 2 336.867 2.340 20 30 EEEDLO N#Cc1ccc([C@@H](O)C[N@@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000796557972 1221342854 /nfs/dbraw/zinc/34/28/54/1221342854.db2.gz VRYZGZVBYQLSFT-INIZCTEOSA-N 1 2 331.803 2.135 20 30 EEEDLO N#Cc1ccc([C@@H](O)C[N@H+](CCO)Cc2cccnc2Cl)cc1 ZINC000796557972 1221342857 /nfs/dbraw/zinc/34/28/57/1221342857.db2.gz VRYZGZVBYQLSFT-INIZCTEOSA-N 1 2 331.803 2.135 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccns3)CC[C@@H]2C)cn1 ZINC000968562939 1221404781 /nfs/dbraw/zinc/40/47/81/1221404781.db2.gz YPMDEEYYLYHYIL-SUMWQHHRSA-N 1 2 340.452 2.160 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccns3)CC[C@@H]2C)cn1 ZINC000968562939 1221404783 /nfs/dbraw/zinc/40/47/83/1221404783.db2.gz YPMDEEYYLYHYIL-SUMWQHHRSA-N 1 2 340.452 2.160 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ncc3n2CCCC3)C1 ZINC000968678803 1221485657 /nfs/dbraw/zinc/48/56/57/1221485657.db2.gz VLVBHADRCUWYLL-DOMZBBRYSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ncc3n2CCCC3)C1 ZINC000968678803 1221485658 /nfs/dbraw/zinc/48/56/58/1221485658.db2.gz VLVBHADRCUWYLL-DOMZBBRYSA-N 1 2 336.867 2.412 20 30 EEEDLO Cn1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC001007093882 1222091152 /nfs/dbraw/zinc/09/11/52/1222091152.db2.gz ULEKRVKTXLCHMT-QGZVFWFLSA-N 1 2 340.402 2.430 20 30 EEEDLO Cn1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC001007093882 1222091155 /nfs/dbraw/zinc/09/11/55/1222091155.db2.gz ULEKRVKTXLCHMT-QGZVFWFLSA-N 1 2 340.402 2.430 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)Cc2cccnc2)C1 ZINC001007116366 1222099823 /nfs/dbraw/zinc/09/98/23/1222099823.db2.gz JKIZUYHTQHOYON-LJQANCHMSA-N 1 2 334.423 2.277 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)Cc2cccnc2)C1 ZINC001007116366 1222099820 /nfs/dbraw/zinc/09/98/20/1222099820.db2.gz JKIZUYHTQHOYON-LJQANCHMSA-N 1 2 334.423 2.277 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccnc(Cl)c3)C2)[nH]1 ZINC001007145003 1222109968 /nfs/dbraw/zinc/10/99/68/1222109968.db2.gz WRWQYQHPVRXGRO-CQSZACIVSA-N 1 2 343.818 2.329 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccnc(Cl)c3)C2)[nH]1 ZINC001007145003 1222109971 /nfs/dbraw/zinc/10/99/71/1222109971.db2.gz WRWQYQHPVRXGRO-CQSZACIVSA-N 1 2 343.818 2.329 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008123687 1222635414 /nfs/dbraw/zinc/63/54/14/1222635414.db2.gz QDXSXQDFXOKIOQ-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008123687 1222635417 /nfs/dbraw/zinc/63/54/17/1222635417.db2.gz QDXSXQDFXOKIOQ-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)n1C ZINC001010169198 1223585461 /nfs/dbraw/zinc/58/54/61/1223585461.db2.gz ORYDGZCFWVDDMZ-INIZCTEOSA-N 1 2 340.402 2.349 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)n1C ZINC001010169198 1223585463 /nfs/dbraw/zinc/58/54/63/1223585463.db2.gz ORYDGZCFWVDDMZ-INIZCTEOSA-N 1 2 340.402 2.349 20 30 EEEDLO Cc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001010222773 1223613362 /nfs/dbraw/zinc/61/33/62/1223613362.db2.gz AWPPREMHOLVCNH-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001010222773 1223613364 /nfs/dbraw/zinc/61/33/64/1223613364.db2.gz AWPPREMHOLVCNH-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)c3ccncc3F)C2)ccc1F ZINC001010418556 1223711943 /nfs/dbraw/zinc/71/19/43/1223711943.db2.gz MNIDHPKWYLDRPB-AWEZNQCLSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3ccncc3F)C2)ccc1F ZINC001010418556 1223711945 /nfs/dbraw/zinc/71/19/45/1223711945.db2.gz MNIDHPKWYLDRPB-AWEZNQCLSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(O)ccc3Cl)C2)[nH]1 ZINC001010660467 1223839245 /nfs/dbraw/zinc/83/92/45/1223839245.db2.gz ZPIYVWLXVADWSD-CYBMUJFWSA-N 1 2 344.802 2.250 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(O)ccc3Cl)C2)[nH]1 ZINC001010660467 1223839254 /nfs/dbraw/zinc/83/92/54/1223839254.db2.gz ZPIYVWLXVADWSD-CYBMUJFWSA-N 1 2 344.802 2.250 20 30 EEEDLO C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1Nc1ccc(C#N)nc1 ZINC001067168407 1226784383 /nfs/dbraw/zinc/78/43/83/1226784383.db2.gz JZGDOUYXYQBSLR-BBRMVZONSA-N 1 2 346.394 2.174 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3c(=O)o2)C1 ZINC001014581508 1226804521 /nfs/dbraw/zinc/80/45/21/1226804521.db2.gz CAGRZFZDQKIUCX-CYBMUJFWSA-N 1 2 332.787 2.350 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3ccccc3c(=O)o2)C1 ZINC001014581508 1226804525 /nfs/dbraw/zinc/80/45/25/1226804525.db2.gz CAGRZFZDQKIUCX-CYBMUJFWSA-N 1 2 332.787 2.350 20 30 EEEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)NCc2ccccc2F)cc1 ZINC000114630144 1226813333 /nfs/dbraw/zinc/81/33/33/1226813333.db2.gz KJCCNQCENHEPJE-GFCCVEGCSA-N 1 2 345.374 2.176 20 30 EEEDLO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(C#N)c[nH]2)c(C)n1 ZINC001017452501 1227432465 /nfs/dbraw/zinc/43/24/65/1227432465.db2.gz VLBKDJACXZDLQA-HDICACEKSA-N 1 2 349.438 2.387 20 30 EEEDLO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(C#N)c[nH]2)c(C)n1 ZINC001017452501 1227432469 /nfs/dbraw/zinc/43/24/69/1227432469.db2.gz VLBKDJACXZDLQA-HDICACEKSA-N 1 2 349.438 2.387 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncn2cc(Cl)ccc12 ZINC001017565565 1227527123 /nfs/dbraw/zinc/52/71/23/1227527123.db2.gz PGMVCYISAORPMN-GASCZTMLSA-N 1 2 342.830 2.300 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncn2cc(Cl)ccc12 ZINC001017565565 1227527130 /nfs/dbraw/zinc/52/71/30/1227527130.db2.gz PGMVCYISAORPMN-GASCZTMLSA-N 1 2 342.830 2.300 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001019120391 1228763470 /nfs/dbraw/zinc/76/34/70/1228763470.db2.gz ASCSVGZEVRQIPL-GOSISDBHSA-N 1 2 344.459 2.006 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001019120391 1228763478 /nfs/dbraw/zinc/76/34/78/1228763478.db2.gz ASCSVGZEVRQIPL-GOSISDBHSA-N 1 2 344.459 2.006 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001019256534 1228919779 /nfs/dbraw/zinc/91/97/79/1228919779.db2.gz HWJSNOHGLCSGJD-HNNXBMFYSA-N 1 2 344.459 2.107 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)C2)nc1 ZINC001058407896 1248999563 /nfs/dbraw/zinc/99/95/63/1248999563.db2.gz YGNPZPHODDWGSX-MRXNPFEDSA-N 1 2 347.422 2.047 20 30 EEEDLO Cc1nc(C)c(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)nc1C ZINC001038494605 1229867739 /nfs/dbraw/zinc/86/77/39/1229867739.db2.gz YYZSWLXVCZBNES-SFHVURJKSA-N 1 2 349.438 2.278 20 30 EEEDLO Cc1nc(C)c(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)nc1C ZINC001038494605 1229867744 /nfs/dbraw/zinc/86/77/44/1229867744.db2.gz YYZSWLXVCZBNES-SFHVURJKSA-N 1 2 349.438 2.278 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnn(CC3CC3)c2)c1 ZINC001038899211 1230145503 /nfs/dbraw/zinc/14/55/03/1230145503.db2.gz LPMXFIVEPUPRAW-IBGZPJMESA-N 1 2 349.438 2.169 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnn(CC3CC3)c2)c1 ZINC001038899211 1230145505 /nfs/dbraw/zinc/14/55/05/1230145505.db2.gz LPMXFIVEPUPRAW-IBGZPJMESA-N 1 2 349.438 2.169 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)c1c[nH]c2cccnc12 ZINC001038919614 1230163892 /nfs/dbraw/zinc/16/38/92/1230163892.db2.gz GBZPXIOJPXUBLB-QGZVFWFLSA-N 1 2 344.418 2.419 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)c1c[nH]c2cccnc12 ZINC001038919614 1230163893 /nfs/dbraw/zinc/16/38/93/1230163893.db2.gz GBZPXIOJPXUBLB-QGZVFWFLSA-N 1 2 344.418 2.419 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1Cc2cccnc2C1 ZINC001038967017 1230200862 /nfs/dbraw/zinc/20/08/62/1230200862.db2.gz CNAWWJSECHTHGZ-WOJBJXKFSA-N 1 2 345.446 2.039 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1Cc2cccnc2C1 ZINC001038967017 1230200865 /nfs/dbraw/zinc/20/08/65/1230200865.db2.gz CNAWWJSECHTHGZ-WOJBJXKFSA-N 1 2 345.446 2.039 20 30 EEEDLO C#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001039228154 1230460601 /nfs/dbraw/zinc/46/06/01/1230460601.db2.gz DYNJVDIKYWIAAY-DOMZBBRYSA-N 1 2 336.386 2.297 20 30 EEEDLO C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001039228154 1230460605 /nfs/dbraw/zinc/46/06/05/1230460605.db2.gz DYNJVDIKYWIAAY-DOMZBBRYSA-N 1 2 336.386 2.297 20 30 EEEDLO C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]c1-c1ccccn1 ZINC001039384488 1230569311 /nfs/dbraw/zinc/56/93/11/1230569311.db2.gz XYHBFOAHMYKVET-CABCVRRESA-N 1 2 337.427 2.337 20 30 EEEDLO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]c1-c1ccccn1 ZINC001039384488 1230569312 /nfs/dbraw/zinc/56/93/12/1230569312.db2.gz XYHBFOAHMYKVET-CABCVRRESA-N 1 2 337.427 2.337 20 30 EEEDLO Cc1c[nH]nc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001039578292 1230702059 /nfs/dbraw/zinc/70/20/59/1230702059.db2.gz FHZLWNQXAHMXRN-HDICACEKSA-N 1 2 349.438 2.469 20 30 EEEDLO Cc1c[nH]nc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001039578292 1230702060 /nfs/dbraw/zinc/70/20/60/1230702060.db2.gz FHZLWNQXAHMXRN-HDICACEKSA-N 1 2 349.438 2.469 20 30 EEEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC(=C)Cl)C2 ZINC001040245326 1231130531 /nfs/dbraw/zinc/13/05/31/1231130531.db2.gz RVGXCJKGZQHHTR-HKUYNNGSSA-N 1 2 349.906 2.151 20 30 EEEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(=C)Cl)C2 ZINC001040245326 1231130534 /nfs/dbraw/zinc/13/05/34/1231130534.db2.gz RVGXCJKGZQHHTR-HKUYNNGSSA-N 1 2 349.906 2.151 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@H+](Cc4cscn4)[C@H]3C2)c1 ZINC001041999868 1231819124 /nfs/dbraw/zinc/81/91/24/1231819124.db2.gz JGEMPNVKTLRCEW-CJNGLKHVSA-N 1 2 341.440 2.079 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cscn4)[C@H]3C2)c1 ZINC001041999868 1231819126 /nfs/dbraw/zinc/81/91/26/1231819126.db2.gz JGEMPNVKTLRCEW-CJNGLKHVSA-N 1 2 341.440 2.079 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001042057086 1231858729 /nfs/dbraw/zinc/85/87/29/1231858729.db2.gz GAHVTWHVQYQBFB-CABCVRRESA-N 1 2 337.261 2.231 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001042057086 1231858731 /nfs/dbraw/zinc/85/87/31/1231858731.db2.gz GAHVTWHVQYQBFB-CABCVRRESA-N 1 2 337.261 2.231 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(OC)ns3)C[C@H]21 ZINC001042064201 1231862625 /nfs/dbraw/zinc/86/26/25/1231862625.db2.gz FAECDQHRZDTZKF-VXGBXAGGSA-N 1 2 341.864 2.441 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(OC)ns3)C[C@H]21 ZINC001042064201 1231862626 /nfs/dbraw/zinc/86/26/26/1231862626.db2.gz FAECDQHRZDTZKF-VXGBXAGGSA-N 1 2 341.864 2.441 20 30 EEEDLO Cc1nc(N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)c2c([nH+]1)CCCC2 ZINC001043169697 1232293983 /nfs/dbraw/zinc/29/39/83/1232293983.db2.gz SYSWJXJSTSDWBH-FZKQIMNGSA-N 1 2 338.455 2.336 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](CCc3scnc3C)C2)cc1 ZINC001043505647 1232465332 /nfs/dbraw/zinc/46/53/32/1232465332.db2.gz ABDOUSWXVJQVCT-UHFFFAOYSA-N 1 2 339.464 2.432 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1nnc(C)[nH]1 ZINC001045827091 1234042002 /nfs/dbraw/zinc/04/20/02/1234042002.db2.gz JEGHSMZSYWOSEM-CFVMTHIKSA-N 1 2 331.464 2.452 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1nnc(C)[nH]1 ZINC001045827091 1234042004 /nfs/dbraw/zinc/04/20/04/1234042004.db2.gz JEGHSMZSYWOSEM-CFVMTHIKSA-N 1 2 331.464 2.452 20 30 EEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000800382010 1234090117 /nfs/dbraw/zinc/09/01/17/1234090117.db2.gz QKBQJQOWVLTEMK-QGZVFWFLSA-N 1 2 346.427 2.352 20 30 EEEDLO CCN(CC1CCN(C(=O)C#CC2CC2)CC1)c1cc[nH+]c(C)n1 ZINC001067634758 1249360242 /nfs/dbraw/zinc/36/02/42/1249360242.db2.gz NMZIKXRPHJPSFR-UHFFFAOYSA-N 1 2 326.444 2.263 20 30 EEEDLO CCc1nc(C[N@@H+]2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC001046240892 1234587123 /nfs/dbraw/zinc/58/71/23/1234587123.db2.gz WCDUASOCPHBCGQ-KRWDZBQOSA-N 1 2 343.456 2.300 20 30 EEEDLO CCc1nc(C[N@H+]2CC[C@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC001046240892 1234587125 /nfs/dbraw/zinc/58/71/25/1234587125.db2.gz WCDUASOCPHBCGQ-KRWDZBQOSA-N 1 2 343.456 2.300 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001046617588 1235001199 /nfs/dbraw/zinc/00/11/99/1235001199.db2.gz INCUXTYABIPSGE-DFGXFYAUSA-N 1 2 344.459 2.463 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2nnn(C(C)C)c2C)C1 ZINC001046740672 1235134888 /nfs/dbraw/zinc/13/48/88/1235134888.db2.gz XFZMXEHGABWJQC-HNNXBMFYSA-N 1 2 325.844 2.114 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2nnn(C(C)C)c2C)C1 ZINC001046740672 1235134889 /nfs/dbraw/zinc/13/48/89/1235134889.db2.gz XFZMXEHGABWJQC-HNNXBMFYSA-N 1 2 325.844 2.114 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046739525 1235133169 /nfs/dbraw/zinc/13/31/69/1235133169.db2.gz OZVHAHNDVWBEPY-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046739525 1235133172 /nfs/dbraw/zinc/13/31/72/1235133172.db2.gz OZVHAHNDVWBEPY-SFHVURJKSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2COc3ccccc3O2)C1 ZINC001046810839 1235208145 /nfs/dbraw/zinc/20/81/45/1235208145.db2.gz HHRAGATXTQYRKU-RDJZCZTQSA-N 1 2 336.819 2.160 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2COc3ccccc3O2)C1 ZINC001046810839 1235208148 /nfs/dbraw/zinc/20/81/48/1235208148.db2.gz HHRAGATXTQYRKU-RDJZCZTQSA-N 1 2 336.819 2.160 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2[nH]cnc2C)C1 ZINC001046995025 1235408096 /nfs/dbraw/zinc/40/80/96/1235408096.db2.gz FBIDNQPHFXHDDT-NSHDSACASA-N 1 2 332.782 2.158 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2[nH]cnc2C)C1 ZINC001046995025 1235408098 /nfs/dbraw/zinc/40/80/98/1235408098.db2.gz FBIDNQPHFXHDDT-NSHDSACASA-N 1 2 332.782 2.158 20 30 EEEDLO Cc1nc(N2CCC[C@@H](NC(=O)C#CC3CC3)C2)c2c([nH+]1)CCCC2 ZINC001096179613 1235862472 /nfs/dbraw/zinc/86/24/72/1235862472.db2.gz YSWMVCXIKJFBRX-MRXNPFEDSA-N 1 2 338.455 2.162 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001096216942 1236199783 /nfs/dbraw/zinc/19/97/83/1236199783.db2.gz NJPOFSIOKQKWFB-YJBOKZPZSA-N 1 2 332.448 2.099 20 30 EEEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c(cccc3F)s2)C1 ZINC001047621585 1236301158 /nfs/dbraw/zinc/30/11/58/1236301158.db2.gz RLEPMDQTNLYQGZ-GJZGRUSLSA-N 1 2 346.427 2.181 20 30 EEEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c(cccc3F)s2)C1 ZINC001047621585 1236301162 /nfs/dbraw/zinc/30/11/62/1236301162.db2.gz RLEPMDQTNLYQGZ-GJZGRUSLSA-N 1 2 346.427 2.181 20 30 EEEDLO Cc1nc(N(C)C[C@@H]2CCCN2C(=O)C#CC2CC2)c(C)c(C)[nH+]1 ZINC001067760636 1249531646 /nfs/dbraw/zinc/53/16/46/1249531646.db2.gz OLLZJGVABKFXER-KRWDZBQOSA-N 1 2 326.444 2.242 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)CCCn1cc[nH+]c1 ZINC001056297874 1239152469 /nfs/dbraw/zinc/15/24/69/1239152469.db2.gz MVWXZUQLOBCELM-SJORKVTESA-N 1 2 344.459 2.221 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056456629 1239390560 /nfs/dbraw/zinc/39/05/60/1239390560.db2.gz SQXCJJOXWZADGA-CVEARBPZSA-N 1 2 344.459 2.077 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@@H]2[C@H]3CN(c4ccncc4C#N)C[C@H]32)c(C)[nH+]1 ZINC001056489741 1239406990 /nfs/dbraw/zinc/40/69/90/1239406990.db2.gz REXZSYGRCNBVDO-MNZLEMJZSA-N 1 2 347.422 2.138 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001056489627 1239407184 /nfs/dbraw/zinc/40/71/84/1239407184.db2.gz RUSOFENACABRLW-IAGOWNOFSA-N 1 2 344.459 2.209 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3CCC)C[C@@H]2C1 ZINC001049026394 1239790833 /nfs/dbraw/zinc/79/08/33/1239790833.db2.gz OMPBPQKCTFFMPR-JTDSTZFVSA-N 1 2 345.491 2.181 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3CCC)C[C@@H]2C1 ZINC001049026394 1239790838 /nfs/dbraw/zinc/79/08/38/1239790838.db2.gz OMPBPQKCTFFMPR-JTDSTZFVSA-N 1 2 345.491 2.181 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)c2ccn(C)c2)CC1 ZINC001000582787 1240547442 /nfs/dbraw/zinc/54/74/42/1240547442.db2.gz LHKPBCWCBPAHKN-UHFFFAOYSA-N 1 2 338.249 2.296 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)c2ccn(C)c2)CC1 ZINC001000582787 1240547447 /nfs/dbraw/zinc/54/74/47/1240547447.db2.gz LHKPBCWCBPAHKN-UHFFFAOYSA-N 1 2 338.249 2.296 20 30 EEEDLO Cc1nc(N2CCC3(C[C@H]3NC(=O)[C@H](C)C#N)CC2)c(C)c(C)[nH+]1 ZINC001096513150 1240762469 /nfs/dbraw/zinc/76/24/69/1240762469.db2.gz GNDBDSQAJQICQG-IAQYHMDHSA-N 1 2 327.432 2.037 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2c(C)n(C)nc2Cl)CC1 ZINC001001412447 1242220398 /nfs/dbraw/zinc/22/03/98/1242220398.db2.gz LFKVVJIVWHSNIL-UHFFFAOYSA-N 1 2 343.258 2.496 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2c(C)n(C)nc2Cl)CC1 ZINC001001412447 1242220391 /nfs/dbraw/zinc/22/03/91/1242220391.db2.gz LFKVVJIVWHSNIL-UHFFFAOYSA-N 1 2 343.258 2.496 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001073926403 1242775222 /nfs/dbraw/zinc/77/52/22/1242775222.db2.gz GSPJIJZPAXNTMZ-HUUCEWRRSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@@H](C)C2)C1 ZINC001073926928 1242777216 /nfs/dbraw/zinc/77/72/16/1242777216.db2.gz MKFFZAWVBPOXIA-LSDHHAIUSA-N 1 2 344.459 2.052 20 30 EEEDLO C[N@@H+](Cc1nccs1)C[C@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001073995569 1242888870 /nfs/dbraw/zinc/88/88/70/1242888870.db2.gz XYLXTGFNQXWCKF-CQSZACIVSA-N 1 2 343.456 2.470 20 30 EEEDLO C[N@H+](Cc1nccs1)C[C@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001073995569 1242888882 /nfs/dbraw/zinc/88/88/82/1242888882.db2.gz XYLXTGFNQXWCKF-CQSZACIVSA-N 1 2 343.456 2.470 20 30 EEEDLO CCn1ccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001097016812 1243579507 /nfs/dbraw/zinc/57/95/07/1243579507.db2.gz QOVMPKZQBDIETC-QRVBRYPASA-N 1 2 348.450 2.290 20 30 EEEDLO CCn1ccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001097016812 1243579512 /nfs/dbraw/zinc/57/95/12/1243579512.db2.gz QOVMPKZQBDIETC-QRVBRYPASA-N 1 2 348.450 2.290 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H](C)[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001050996514 1243790511 /nfs/dbraw/zinc/79/05/11/1243790511.db2.gz ZZNLWGGYJABDHC-HUUCEWRRSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H](C)[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001050996514 1243790517 /nfs/dbraw/zinc/79/05/17/1243790517.db2.gz ZZNLWGGYJABDHC-HUUCEWRRSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001097238348 1243866701 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C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC001050988534 1244791482 /nfs/dbraw/zinc/79/14/82/1244791482.db2.gz GNCSPIIRIVXWQW-RTBURBONSA-N 1 2 344.455 2.197 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccccc1OCC=C ZINC001050988175 1244791595 /nfs/dbraw/zinc/79/15/95/1244791595.db2.gz BDOCIGHEIMESFO-MRXNPFEDSA-N 1 2 330.428 2.258 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccccc1OCC=C ZINC001050988175 1244791600 /nfs/dbraw/zinc/79/16/00/1244791600.db2.gz BDOCIGHEIMESFO-MRXNPFEDSA-N 1 2 330.428 2.258 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CC2CC(F)(F)C2)cc1 ZINC001051062952 1244929404 /nfs/dbraw/zinc/92/94/04/1244929404.db2.gz PXQLABAZQOPVQG-KRWDZBQOSA-N 1 2 348.393 2.144 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CC2CC(F)(F)C2)cc1 ZINC001051062952 1244929412 /nfs/dbraw/zinc/92/94/12/1244929412.db2.gz PXQLABAZQOPVQG-KRWDZBQOSA-N 1 2 348.393 2.144 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1Cc2cccc(C)c2O1 ZINC001051270481 1245462094 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C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc([C@H](C)CC)no1)CCO2 ZINC001053463699 1246364071 /nfs/dbraw/zinc/36/40/71/1246364071.db2.gz JMJWEKCPPZAAIX-CQSZACIVSA-N 1 2 333.432 2.291 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cscc3Cl)C2)CC1 ZINC001052040638 1246410359 /nfs/dbraw/zinc/41/03/59/1246410359.db2.gz CSAKTBBSNJBHIB-CYBMUJFWSA-N 1 2 339.892 2.420 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C)c(F)cc3F)C2)CC1 ZINC001052040163 1246410402 /nfs/dbraw/zinc/41/04/02/1246410402.db2.gz AGQNNOTUTKGVDX-OAHLLOKOSA-N 1 2 349.425 2.291 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)COC3CCCCC3)C2)CC1 ZINC001052045098 1246414944 /nfs/dbraw/zinc/41/49/44/1246414944.db2.gz PNPCXXIACXOWLL-GOSISDBHSA-N 1 2 349.519 2.130 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H](N3CC[NH+](C[C@H](F)CC)CC3)C2)C1 ZINC001052081141 1246458561 /nfs/dbraw/zinc/45/85/61/1246458561.db2.gz JICKJATXTJZWGG-IAGOWNOFSA-N 1 2 337.483 2.309 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH+]3CCN(C[C@H](F)CC)CC3)C2)C1 ZINC001052081141 1246458566 /nfs/dbraw/zinc/45/85/66/1246458566.db2.gz JICKJATXTJZWGG-IAGOWNOFSA-N 1 2 337.483 2.309 20 30 EEEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)CC3CCCC3)C2)CC1 ZINC001052093587 1246472168 /nfs/dbraw/zinc/47/21/68/1246472168.db2.gz NWZWHSRAWXRCIZ-ICSRJNTNSA-N 1 2 345.531 2.445 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C)ccc3C)C2)CC1 ZINC001052112216 1246494188 /nfs/dbraw/zinc/49/41/88/1246494188.db2.gz PQWICDAIGOEQQL-IBGZPJMESA-N 1 2 339.483 2.159 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C)cc(C)c3)C2)CC1 ZINC001052112440 1246494383 /nfs/dbraw/zinc/49/43/83/1246494383.db2.gz VROHYJKHFFPZOV-FQEVSTJZSA-N 1 2 339.483 2.159 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@]3(C)CC=C(C)CC3)C2)CC1 ZINC001052118914 1246502692 /nfs/dbraw/zinc/50/26/92/1246502692.db2.gz CURWUJTUYNRFTP-CTNGQTDRSA-N 1 2 343.515 2.365 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCCC3(C)C)C2)CC1 ZINC001052123743 1246510864 /nfs/dbraw/zinc/51/08/64/1246510864.db2.gz OOKZCPRFJKGRJS-QZTJIDSGSA-N 1 2 331.504 2.055 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC001052124178 1246511179 /nfs/dbraw/zinc/51/11/79/1246511179.db2.gz ZGMCLRJOBCAIPL-MOPGFXCFSA-N 1 2 345.531 2.445 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC(F)(F)C1)O2 ZINC001053608723 1246527533 /nfs/dbraw/zinc/52/75/33/1246527533.db2.gz JDKDLIHHZLBAQR-UONOGXRCSA-N 1 2 328.403 2.348 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cncc(Cl)c1C)O2 ZINC001053610522 1246530810 /nfs/dbraw/zinc/53/08/10/1246530810.db2.gz SGFIQCBYGRXVGE-CYBMUJFWSA-N 1 2 335.835 2.193 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3ncccc3s1)O2 ZINC001053635491 1246567835 /nfs/dbraw/zinc/56/78/35/1246567835.db2.gz FNBCPKDEGYCPNV-ZDUSSCGKSA-N 1 2 343.452 2.446 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccccc1OC)O2 ZINC001053690101 1246657081 /nfs/dbraw/zinc/65/70/81/1246657081.db2.gz HNFCCTCSIHABLR-OAHLLOKOSA-N 1 2 330.428 2.235 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1nccc3ccsc31)CO2 ZINC001053836341 1246876075 /nfs/dbraw/zinc/87/60/75/1246876075.db2.gz VUSUDVMTUQPROX-CQSZACIVSA-N 1 2 343.452 2.446 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1cccc(C)c1Cl)CO2 ZINC001053868421 1246940530 /nfs/dbraw/zinc/94/05/30/1246940530.db2.gz LKQYUBYPNQBBBE-INIZCTEOSA-N 1 2 346.858 2.174 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(C)c1Cl)CO2 ZINC001053957963 1247067160 /nfs/dbraw/zinc/06/71/60/1247067160.db2.gz LATMEAZXOOHKSG-CQSZACIVSA-N 1 2 332.831 2.245 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccn1C1CCCC1)CO2 ZINC001053966767 1247078137 /nfs/dbraw/zinc/07/81/37/1247078137.db2.gz KBDVARPCOXAPES-MRXNPFEDSA-N 1 2 341.455 2.200 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)c1ccccc1C)CO2 ZINC001054013225 1247147471 /nfs/dbraw/zinc/14/74/71/1247147471.db2.gz QTTHPDPOCVJVKV-IAGOWNOFSA-N 1 2 326.440 2.081 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cncc3ccccc31)CO2 ZINC001054016183 1247151390 /nfs/dbraw/zinc/15/13/90/1247151390.db2.gz WVTPEXGJNGBFQF-INIZCTEOSA-N 1 2 337.423 2.384 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@]1(C)CCc3ccccc31)CO2 ZINC001054018823 1247156882 /nfs/dbraw/zinc/15/68/82/1247156882.db2.gz ITHGMAKOJLXNGO-PXNSSMCTSA-N 1 2 340.467 2.426 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccnc(F)c1 ZINC001054035756 1247187439 /nfs/dbraw/zinc/18/74/39/1247187439.db2.gz UIBXBSONWRSZFJ-GOSISDBHSA-N 1 2 337.398 2.401 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccnc(F)c1 ZINC001054035756 1247187443 /nfs/dbraw/zinc/18/74/43/1247187443.db2.gz UIBXBSONWRSZFJ-GOSISDBHSA-N 1 2 337.398 2.401 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(CC)nnc1C ZINC001054048041 1247231708 /nfs/dbraw/zinc/23/17/08/1247231708.db2.gz UAXFGQWCOQSCBA-LJQANCHMSA-N 1 2 348.450 2.137 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(CC)nnc1C ZINC001054048041 1247231718 /nfs/dbraw/zinc/23/17/18/1247231718.db2.gz UAXFGQWCOQSCBA-LJQANCHMSA-N 1 2 348.450 2.137 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ncoc1C1CC1 ZINC001054057557 1247258279 /nfs/dbraw/zinc/25/82/79/1247258279.db2.gz OOBSWXFUUUBTEH-QGZVFWFLSA-N 1 2 335.407 2.342 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ncoc1C1CC1 ZINC001054057557 1247258289 /nfs/dbraw/zinc/25/82/89/1247258289.db2.gz OOBSWXFUUUBTEH-QGZVFWFLSA-N 1 2 335.407 2.342 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001054057572 1247259722 /nfs/dbraw/zinc/25/97/22/1247259722.db2.gz ACKCUCKMFSZLRB-SFHVURJKSA-N 1 2 333.435 2.293 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001054057572 1247259733 /nfs/dbraw/zinc/25/97/33/1247259733.db2.gz ACKCUCKMFSZLRB-SFHVURJKSA-N 1 2 333.435 2.293 20 30 EEEDLO CC(C)c1nnc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)[C@@H](C)C#N)C3)o1 ZINC001054102754 1247411276 /nfs/dbraw/zinc/41/12/76/1247411276.db2.gz RPSNJTCDBZJISS-KSSFIOAISA-N 1 2 345.447 2.167 20 30 EEEDLO CC(C)c1nnc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)[C@@H](C)C#N)C3)o1 ZINC001054102754 1247411283 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C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(C#N)cc3Br)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225767989 1301152672 /nfs/dbraw/zinc/15/26/72/1301152672.db2.gz WIHJOMDIUWJOKY-HJTUNCCVSA-N 1 2 335.201 2.312 20 30 EEEDLO CC(C)Cc1nc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C#CC2CC2)no1 ZINC001226134128 1301270543 /nfs/dbraw/zinc/27/05/43/1301270543.db2.gz SLCGEQABFXFFCU-HZPDHXFCSA-N 1 2 344.459 2.199 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2noc(CC)n2)CCC1 ZINC001226720263 1301524391 /nfs/dbraw/zinc/52/43/91/1301524391.db2.gz HVIQZJVBWJTCDG-HUUCEWRRSA-N 1 2 344.459 2.343 20 30 EEEDLO C=CCOCCCC(=O)NC1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC001226768978 1301545827 /nfs/dbraw/zinc/54/58/27/1301545827.db2.gz BSRAYYOUWFQVCT-HNNXBMFYSA-N 1 2 332.448 2.101 20 30 EEEDLO C=CCOCCCC(=O)NC1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001226770109 1301547318 /nfs/dbraw/zinc/54/73/18/1301547318.db2.gz VTLDKAUWOYLBFY-ZDUSSCGKSA-N 1 2 336.436 2.002 20 30 EEEDLO C=CCOCCCC(=O)NC1CC[NH+]([C@H](C)c2nc(C)no2)CC1 ZINC001226777814 1301550617 /nfs/dbraw/zinc/55/06/17/1301550617.db2.gz HHTHZSHHIAHVIS-CYBMUJFWSA-N 1 2 336.436 2.002 20 30 EEEDLO CC(C)C#CC(=O)NC1CC[NH+](Cc2nc(-c3ccoc3)no2)CC1 ZINC001227233626 1301743691 /nfs/dbraw/zinc/74/36/91/1301743691.db2.gz XYKSHFNGURYTMQ-UHFFFAOYSA-N 1 2 342.399 2.070 20 30 EEEDLO Cc1nc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c(C#N)cc1-c1ccncc1 ZINC001227269995 1301759046 /nfs/dbraw/zinc/75/90/46/1301759046.db2.gz QDZGWDBYTIJCCP-SGFYWKOBSA-N 1 2 348.406 2.315 20 30 EEEDLO Cc1nc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c(C#N)cc1-c1ccncc1 ZINC001227269995 1301759050 /nfs/dbraw/zinc/75/90/50/1301759050.db2.gz QDZGWDBYTIJCCP-SGFYWKOBSA-N 1 2 348.406 2.315 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NC1CC[NH+](Cc2ccn(CC)n2)CC1 ZINC001228482850 1302283355 /nfs/dbraw/zinc/28/33/55/1302283355.db2.gz JYRKNGGIRFMBIH-LJQANCHMSA-N 1 2 348.491 2.212 20 30 EEEDLO CC[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)Nc1ccc(C#N)cn1 ZINC001103368176 1302841069 /nfs/dbraw/zinc/84/10/69/1302841069.db2.gz 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C#CCCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2noc(CC)n2)C1 ZINC001104092216 1303547302 /nfs/dbraw/zinc/54/73/02/1303547302.db2.gz LFDCBHGXIDCXQK-HZPDHXFCSA-N 1 2 346.475 2.400 20 30 EEEDLO C=C(C)COc1ccccc1C[N@@H+]1CCc2n[nH]c(C(N)=O)c2C1 ZINC001277477677 1303581447 /nfs/dbraw/zinc/58/14/47/1303581447.db2.gz TUNHQSVLJCIBAK-UHFFFAOYSA-N 1 2 326.400 2.022 20 30 EEEDLO C=C(C)COc1ccccc1C[N@H+]1CCc2n[nH]c(C(N)=O)c2C1 ZINC001277477677 1303581456 /nfs/dbraw/zinc/58/14/56/1303581456.db2.gz TUNHQSVLJCIBAK-UHFFFAOYSA-N 1 2 326.400 2.022 20 30 EEEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N[C@@H](C)CCC(C)C ZINC001231123893 1303643117 /nfs/dbraw/zinc/64/31/17/1303643117.db2.gz XKFSYSZJEMRAIW-IRXDYDNUSA-N 1 2 337.508 2.426 20 30 EEEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N[C@@H](C)CCC(C)C ZINC001231123893 1303643120 /nfs/dbraw/zinc/64/31/20/1303643120.db2.gz XKFSYSZJEMRAIW-IRXDYDNUSA-N 1 2 337.508 2.426 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001104209480 1303649217 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330.432 2.059 20 30 EEEDLO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001231169139 1303663122 /nfs/dbraw/zinc/66/31/22/1303663122.db2.gz DSXCNHUIKXFIOY-HNNXBMFYSA-N 1 2 330.432 2.059 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)C(C)C ZINC001231178595 1303668385 /nfs/dbraw/zinc/66/83/85/1303668385.db2.gz MKRAHRQXBXOWER-ROUUACIJSA-N 1 2 349.519 2.402 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)C(C)C ZINC001231178595 1303668390 /nfs/dbraw/zinc/66/83/90/1303668390.db2.gz MKRAHRQXBXOWER-ROUUACIJSA-N 1 2 349.519 2.402 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001111793454 1303894921 /nfs/dbraw/zinc/89/49/21/1303894921.db2.gz VZTCADMQZHFOAO-SFHVURJKSA-N 1 2 344.459 2.440 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(C)no1)C2 ZINC001111850443 1303995879 /nfs/dbraw/zinc/99/58/79/1303995879.db2.gz MUZWKXRLZNOMQI-MPGHIAIKSA-N 1 2 332.448 2.451 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(C)no1)C2 ZINC001111850443 1303995880 /nfs/dbraw/zinc/99/58/80/1303995880.db2.gz MUZWKXRLZNOMQI-MPGHIAIKSA-N 1 2 332.448 2.451 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCC1(Nc2nc(N(C)C)nc(C)[nH+]2)CCC1 ZINC001111894069 1304064976 /nfs/dbraw/zinc/06/49/76/1304064976.db2.gz LDSVFHDATQGGEZ-KRWDZBQOSA-N 1 2 346.479 2.299 20 30 EEEDLO C=CCOC(=O)N1CC[NH+](Cc2ccc(/C=C/C(=O)OC)cc2)CC1 ZINC001233300363 1304423162 /nfs/dbraw/zinc/42/31/62/1304423162.db2.gz NEAVIPSPPZECKM-CMDGGOBGSA-N 1 2 344.411 2.313 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCNc1ncc(C#N)cc1F ZINC001114970713 1304574227 /nfs/dbraw/zinc/57/42/27/1304574227.db2.gz IKKPWXGJBRTXPA-LLVKDONJSA-N 1 2 344.394 2.063 20 30 EEEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N[C@H](C)CCC(C)C ZINC001233948503 1304653408 /nfs/dbraw/zinc/65/34/08/1304653408.db2.gz WTBRVNMODDLREL-MSOLQXFVSA-N 1 2 349.519 2.264 20 30 EEEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N[C@H](C)CCC(C)C ZINC001233948503 1304653416 /nfs/dbraw/zinc/65/34/16/1304653416.db2.gz WTBRVNMODDLREL-MSOLQXFVSA-N 1 2 349.519 2.264 20 30 EEEDLO CO[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(C#N)c1)C1CC1 ZINC001234052648 1304711112 /nfs/dbraw/zinc/71/11/12/1304711112.db2.gz ZGSPALGSWXDCKB-FUHWJXTLSA-N 1 2 345.418 2.155 20 30 EEEDLO CO[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(C#N)c1)C1CC1 ZINC001234052648 1304711117 /nfs/dbraw/zinc/71/11/17/1304711117.db2.gz ZGSPALGSWXDCKB-FUHWJXTLSA-N 1 2 345.418 2.155 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)CC1(O)CCC1 ZINC001234152783 1304771689 /nfs/dbraw/zinc/77/16/89/1304771689.db2.gz YRCCKZAETCTMOV-INIZCTEOSA-N 1 2 345.418 2.035 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)CC1(O)CCC1 ZINC001234152783 1304771697 /nfs/dbraw/zinc/77/16/97/1304771697.db2.gz YRCCKZAETCTMOV-INIZCTEOSA-N 1 2 345.418 2.035 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1cnn(-c2ccccc2)c1)C(=O)C#CC1CC1 ZINC001234195760 1304792737 /nfs/dbraw/zinc/79/27/37/1304792737.db2.gz NGMYBTLJLBXPDP-HXUWFJFHSA-N 1 2 348.450 2.318 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1cnn(-c2ccccc2)c1)C(=O)C#CC1CC1 ZINC001234195760 1304792743 /nfs/dbraw/zinc/79/27/43/1304792743.db2.gz NGMYBTLJLBXPDP-HXUWFJFHSA-N 1 2 348.450 2.318 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCNC(=O)COC1CCCC1 ZINC001234415165 1304914340 /nfs/dbraw/zinc/91/43/40/1304914340.db2.gz UGIIESNESGSYND-UHFFFAOYSA-N 1 2 333.270 2.292 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCNC(=O)COC1CCCC1 ZINC001234415165 1304914342 /nfs/dbraw/zinc/91/43/42/1304914342.db2.gz UGIIESNESGSYND-UHFFFAOYSA-N 1 2 333.270 2.292 20 30 EEEDLO N#Cc1cccc2nc(=O)[nH]c(OC3C[NH+](Cc4ccccc4)C3)c12 ZINC001234511840 1304947759 /nfs/dbraw/zinc/94/77/59/1304947759.db2.gz XBAJXDNHTHTTSF-UHFFFAOYSA-N 1 2 332.363 2.470 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2conc2CC)CCC1 ZINC001235210964 1305150817 /nfs/dbraw/zinc/15/08/17/1305150817.db2.gz YXWFHOGZPZOIDG-INIZCTEOSA-N 1 2 329.444 2.463 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2conc2CC)CCC1 ZINC001235210964 1305150819 /nfs/dbraw/zinc/15/08/19/1305150819.db2.gz YXWFHOGZPZOIDG-INIZCTEOSA-N 1 2 329.444 2.463 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2CC(=O)N[C@@H](C)CCC)CCC1 ZINC001235224324 1305155342 /nfs/dbraw/zinc/15/53/42/1305155342.db2.gz GKPDQHKYGXBJKX-IRXDYDNUSA-N 1 2 347.503 2.018 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC(=O)N[C@@H](C)CCC)CCC1 ZINC001235224324 1305155347 /nfs/dbraw/zinc/15/53/47/1305155347.db2.gz GKPDQHKYGXBJKX-IRXDYDNUSA-N 1 2 347.503 2.018 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCOCC(F)(F)F)CCC1 ZINC001235224318 1305155545 /nfs/dbraw/zinc/15/55/45/1305155545.db2.gz GKMLRICIIJJCEW-AWEZNQCLSA-N 1 2 346.393 2.292 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2CCOCC(F)(F)F)CCC1 ZINC001235224318 1305155549 /nfs/dbraw/zinc/15/55/49/1305155549.db2.gz GKMLRICIIJJCEW-AWEZNQCLSA-N 1 2 346.393 2.292 20 30 EEEDLO N#Cc1ccc(N2CCCC[C@@]23CC(=O)N(CCn2cc[nH+]c2)C3)cc1 ZINC001278023514 1305714379 /nfs/dbraw/zinc/71/43/79/1305714379.db2.gz 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C=C[C@](C)(CC)C(=O)N(C)C[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001120562191 1309612693 /nfs/dbraw/zinc/61/26/93/1309612693.db2.gz QCCXMGWNFPEVST-YVEFUNNKSA-N 1 2 334.468 2.107 20 30 EEEDLO C=CC(C)(C)C(=O)NC1CC2(C1)CC([NH2+]Cc1noc(CC)n1)C2 ZINC001121514930 1310038095 /nfs/dbraw/zinc/03/80/95/1310038095.db2.gz HSIXWCGHUPRFSC-UHFFFAOYSA-N 1 2 332.448 2.361 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@H](C)CC1 ZINC001121635812 1310081623 /nfs/dbraw/zinc/08/16/23/1310081623.db2.gz NYPKCPIXTOGWMZ-INIZCTEOSA-N 1 2 347.507 2.295 20 30 EEEDLO C=CCC1(C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001122465078 1310295727 /nfs/dbraw/zinc/29/57/27/1310295727.db2.gz DRPZVVKNRXEVCS-HNNXBMFYSA-N 1 2 344.459 2.298 20 30 EEEDLO C=CCOCCCC(=O)N1C[C@@H](Nc2cc[nH+]c(C)n2)C(C)(C)C1 ZINC001123920324 1310765364 /nfs/dbraw/zinc/76/53/64/1310765364.db2.gz KYPQUQIHNGVHMJ-OAHLLOKOSA-N 1 2 332.448 2.417 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)c(OC)n1 ZINC001139922284 1314785899 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N#Cc1ccccc1C[NH+]1CC2(C1)CCN(C(=O)c1cccnc1)C2 ZINC001204369933 1322130836 /nfs/dbraw/zinc/13/08/36/1322130836.db2.gz IVZIWDIAUKGDGF-UHFFFAOYSA-N 1 2 332.407 2.301 20 30 EEEDLO N#Cc1cc(Cl)c(-c2noc([C@@]3([NH3+])CCOC3)n2)cc1Cl ZINC001205227929 1322320616 /nfs/dbraw/zinc/32/06/16/1322320616.db2.gz VGKCLAVXYJEUIU-CYBMUJFWSA-N 1 2 325.155 2.489 20 30 EEEDLO C=CCn1c([C@H]2[C@@H]3CCCC[C@@H]32)nnc1N(C)CC[NH+]1CCOCC1 ZINC001262931434 1322397284 /nfs/dbraw/zinc/39/72/84/1322397284.db2.gz NFRDXHBOJJEUKB-FVQHAEBGSA-N 1 2 345.491 2.136 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N(CC)CC(=C)C ZINC001262956962 1322405790 /nfs/dbraw/zinc/40/57/90/1322405790.db2.gz FEELSHRZWZOKOG-UHFFFAOYSA-N 1 2 333.480 2.071 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc(Cc2[nH+]ccn2C)n1Cc1ccccc1 ZINC001263163845 1322439785 /nfs/dbraw/zinc/43/97/85/1322439785.db2.gz CAGDFVHJLRRWNO-HNNXBMFYSA-N 1 2 334.427 2.109 20 30 EEEDLO CCOCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206191159 1323420189 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331.464 2.125 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCNc1ccc(C#N)c(C)n1 ZINC001114971754 1371464258 /nfs/dbraw/zinc/46/42/58/1371464258.db2.gz YDTDBQOBPDSWEW-GFCCVEGCSA-N 1 2 340.431 2.233 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H](CNc2cc[nH+]c(C)n2)C2CC2)nc1 ZINC001115529794 1371660729 /nfs/dbraw/zinc/66/07/29/1371660729.db2.gz GDXOSZXEPYYKJP-QGZVFWFLSA-N 1 2 335.411 2.124 20 30 EEEDLO Cc1nc(N[C@@H](CCNC(=O)[C@@H](C)C#N)Cc2ccccc2)cc[nH+]1 ZINC001123694502 1372174642 /nfs/dbraw/zinc/17/46/42/1372174642.db2.gz YAQZQXXPUXXHBG-YOEHRIQHSA-N 1 2 337.427 2.474 20 30 EEEDLO CCOc1cc(C[NH+]2CCN(CCC#N)CC2)ccc1OC(C)=O ZINC001139004785 1372454378 /nfs/dbraw/zinc/45/43/78/1372454378.db2.gz AHLCLVIKCNVDBJ-UHFFFAOYSA-N 1 2 331.416 2.042 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccccc2F)[C@@H](O)C1 ZINC001100108161 1372990538 /nfs/dbraw/zinc/99/05/38/1372990538.db2.gz RLKSXWDXFUVBCT-CVEARBPZSA-N 1 2 340.826 2.062 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCc2ccccc2F)[C@@H](O)C1 ZINC001100108161 1372990544 /nfs/dbraw/zinc/99/05/44/1372990544.db2.gz RLKSXWDXFUVBCT-CVEARBPZSA-N 1 2 340.826 2.062 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(F)CC1 ZINC001355886720 1373180712 /nfs/dbraw/zinc/18/07/12/1373180712.db2.gz JIENIGCYHVENQC-OAHLLOKOSA-N 1 2 337.443 2.184 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(F)CC1 ZINC001355886720 1373180716 /nfs/dbraw/zinc/18/07/16/1373180716.db2.gz JIENIGCYHVENQC-OAHLLOKOSA-N 1 2 337.443 2.184 20 30 EEEDLO CCOCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001375464863 1377761220 /nfs/dbraw/zinc/76/12/20/1377761220.db2.gz WLKFIWCZLBJWPU-SFHVURJKSA-N 1 2 341.455 2.408 20 30 EEEDLO CCOCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001375464863 1377761225 /nfs/dbraw/zinc/76/12/25/1377761225.db2.gz WLKFIWCZLBJWPU-SFHVURJKSA-N 1 2 341.455 2.408 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C[C@@H]1NC(=O)c2ccccc21 ZINC001377350694 1379158480 /nfs/dbraw/zinc/15/84/80/1379158480.db2.gz ZJKFHXQUOLTGKC-HNNXBMFYSA-N 1 2 335.835 2.052 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C=CCC1(C(=O)NCC[N@@H+](C)Cc2cc(C3CC3)no2)CCOCC1 ZINC001753071800 1406664715 /nfs/dbraw/zinc/66/47/15/1406664715.db2.gz DATKPJQGJQBMCB-UHFFFAOYSA-N 1 2 347.459 2.473 20 30 EEEDLO C=CCC1(C(=O)NCC[N@H+](C)Cc2cc(C3CC3)no2)CCOCC1 ZINC001753071800 1406664723 /nfs/dbraw/zinc/66/47/23/1406664723.db2.gz DATKPJQGJQBMCB-UHFFFAOYSA-N 1 2 347.459 2.473 20 30 EEEDLO C[C@H](C#N)C(=O)NCC1C[NH+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC001400466746 1396361768 /nfs/dbraw/zinc/36/17/68/1396361768.db2.gz INCZBEQMEDGMAS-GFCCVEGCSA-N 1 2 342.374 2.188 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)C[C@@H]1CCCOC1 ZINC001401433411 1397294694 /nfs/dbraw/zinc/29/46/94/1397294694.db2.gz CHYSXUBILWTXHP-INIZCTEOSA-N 1 2 347.434 2.404 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)C[C@@H]1CCCOC1 ZINC001401433411 1397294712 /nfs/dbraw/zinc/29/47/12/1397294712.db2.gz CHYSXUBILWTXHP-INIZCTEOSA-N 1 2 347.434 2.404 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)C[C@@H]1CCCO1 ZINC001402629516 1398100422 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ZINC001105051832 768959653 /nfs/dbraw/zinc/95/96/53/768959653.db2.gz HEOHWPFMBADCLR-HIFRSBDPSA-N 1 2 346.479 2.251 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001089442298 769242181 /nfs/dbraw/zinc/24/21/81/769242181.db2.gz UAACIJANHOREPV-NWDGAFQWSA-N 1 2 334.468 2.153 20 30 EEEDLO COc1nc(C)ccc1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001032031024 782744113 /nfs/dbraw/zinc/74/41/13/782744113.db2.gz OLOZPAKKIZXJFB-UHFFFAOYSA-N 1 2 349.434 2.112 20 30 EEEDLO Cc1ccoc1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031549289 769540011 /nfs/dbraw/zinc/54/00/11/769540011.db2.gz JPJAHNDXMWHADA-UHFFFAOYSA-N 1 2 327.359 2.461 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@H](Nc2[nH+]cnc3c2cnn3C)C(C)C)C1 ZINC001105284907 769570117 /nfs/dbraw/zinc/57/01/17/769570117.db2.gz WTXDPOXTEFTNEH-AWEZNQCLSA-N 1 2 342.447 2.272 20 30 EEEDLO CC(C)[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)Nc1ccc(C#N)nc1 ZINC001105290153 769595606 /nfs/dbraw/zinc/59/56/06/769595606.db2.gz BNIGWFYORONRTJ-GUYCJALGSA-N 1 2 340.431 2.108 20 30 EEEDLO CC(C)[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)Nc1ccc(C#N)nc1 ZINC001105290153 769595613 /nfs/dbraw/zinc/59/56/13/769595613.db2.gz BNIGWFYORONRTJ-GUYCJALGSA-N 1 2 340.431 2.108 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cscn3)C2)cc1F ZINC001031574084 769794711 /nfs/dbraw/zinc/79/47/11/769794711.db2.gz ICXYNKAGMBKPNC-UHFFFAOYSA-N 1 2 330.388 2.016 20 30 EEEDLO Cc1nc(NC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C)ccc1C#N ZINC001126108331 770002803 /nfs/dbraw/zinc/00/28/03/770002803.db2.gz AIADRDQDZRDHOW-OAHLLOKOSA-N 1 2 340.431 2.170 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CNc1cc[nH+]c(C)n1)C(C)(C)C ZINC001126123489 770021806 /nfs/dbraw/zinc/02/18/06/770021806.db2.gz CYXGTRGKPNYGIC-QLFBSQMISA-N 1 2 332.448 2.319 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)c3cncc(F)c3)C2)c1 ZINC001031607183 770174099 /nfs/dbraw/zinc/17/40/99/770174099.db2.gz LJGXVRAYTZFKSD-UHFFFAOYSA-N 1 2 342.349 2.093 20 30 EEEDLO Cc1csc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001027813733 770487076 /nfs/dbraw/zinc/48/70/76/770487076.db2.gz ZUBXSTMPLAPFQU-CYBMUJFWSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1csc(C[N@H+]2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001027813733 770487081 /nfs/dbraw/zinc/48/70/81/770487081.db2.gz ZUBXSTMPLAPFQU-CYBMUJFWSA-N 1 2 329.429 2.046 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)cn3)C[C@@H]2C)C1 ZINC000942608372 782851331 /nfs/dbraw/zinc/85/13/31/782851331.db2.gz ULWPDSYDSPDJOR-HOTGVXAUSA-N 1 2 328.460 2.468 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)cn3)C[C@@H]2C)C1 ZINC000942608372 782851337 /nfs/dbraw/zinc/85/13/37/782851337.db2.gz ULWPDSYDSPDJOR-HOTGVXAUSA-N 1 2 328.460 2.468 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001027831132 770940530 /nfs/dbraw/zinc/94/05/30/770940530.db2.gz MOUSJSRBMPFBJH-CQSZACIVSA-N 1 2 341.415 2.392 20 30 EEEDLO CC(C)c1ocnc1C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001027831132 770940540 /nfs/dbraw/zinc/94/05/40/770940540.db2.gz MOUSJSRBMPFBJH-CQSZACIVSA-N 1 2 341.415 2.392 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCC[C@@H]2n2cccn2)C1 ZINC001031738442 774165947 /nfs/dbraw/zinc/16/59/47/774165947.db2.gz VHDHXRXQOOJZLW-HOTGVXAUSA-N 1 2 336.867 2.415 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001108098758 783207661 /nfs/dbraw/zinc/20/76/61/783207661.db2.gz ZGQYWUMTWUMCJR-GDBMZVCRSA-N 1 2 328.403 2.042 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001108098758 783207663 /nfs/dbraw/zinc/20/76/63/783207663.db2.gz ZGQYWUMTWUMCJR-GDBMZVCRSA-N 1 2 328.403 2.042 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001027949828 774893207 /nfs/dbraw/zinc/89/32/07/774893207.db2.gz ZXDUYGXPIABXCC-GFCCVEGCSA-N 1 2 335.791 2.480 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001027949828 774893214 /nfs/dbraw/zinc/89/32/14/774893214.db2.gz ZXDUYGXPIABXCC-GFCCVEGCSA-N 1 2 335.791 2.480 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000060455580 790370925 /nfs/dbraw/zinc/37/09/25/790370925.db2.gz RPCJWGJBDCEHRX-UHFFFAOYSA-N 1 2 349.337 2.443 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCOCC3)CC2)s1 ZINC000981066163 776465010 /nfs/dbraw/zinc/46/50/10/776465010.db2.gz WPBPWXAEHZWWFH-OAHLLOKOSA-N 1 2 347.484 2.471 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCOCC3)CC2)s1 ZINC000981066163 776465017 /nfs/dbraw/zinc/46/50/17/776465017.db2.gz WPBPWXAEHZWWFH-OAHLLOKOSA-N 1 2 347.484 2.471 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccnc1-n1cccn1 ZINC001028066436 776960625 /nfs/dbraw/zinc/96/06/25/776960625.db2.gz XZZIEAKLXKINHV-CQSZACIVSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccnc1-n1cccn1 ZINC001028066436 776960628 /nfs/dbraw/zinc/96/06/28/776960628.db2.gz XZZIEAKLXKINHV-CQSZACIVSA-N 1 2 345.834 2.214 20 30 EEEDLO COC(=O)C1CCN(c2cc(N[C@H]3CC[C@H](C#N)CC3)[nH+]cn2)CC1 ZINC001167840764 777219942 /nfs/dbraw/zinc/21/99/42/777219942.db2.gz HKSLIGUWXYYVSL-CTYIDZIISA-N 1 2 343.431 2.360 20 30 EEEDLO 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/nfs/dbraw/zinc/96/19/89/777961989.db2.gz FFRIDAQLXADWKV-RXVVDRJESA-N 1 2 340.467 2.388 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+](CC(=O)N2CCC(C)CC2)CC1 ZINC000981736206 778133208 /nfs/dbraw/zinc/13/32/08/778133208.db2.gz SFPDMCACYZQDMK-UHFFFAOYSA-N 1 2 349.519 2.382 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](CC(=O)N2CCC(C)CC2)CC1 ZINC000981736206 778133211 /nfs/dbraw/zinc/13/32/11/778133211.db2.gz SFPDMCACYZQDMK-UHFFFAOYSA-N 1 2 349.519 2.382 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@H+](Cc2ccnc(OC)n2)CC1 ZINC000981873230 778446461 /nfs/dbraw/zinc/44/64/61/778446461.db2.gz JXJGKOSVINKQNL-GOSISDBHSA-N 1 2 332.448 2.122 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](Cc2ccnc(OC)n2)CC1 ZINC000981873230 778446464 /nfs/dbraw/zinc/44/64/64/778446464.db2.gz JXJGKOSVINKQNL-GOSISDBHSA-N 1 2 332.448 2.122 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000995069008 778497534 /nfs/dbraw/zinc/49/75/34/778497534.db2.gz YSFVZDINRKEUQR-UHFFFAOYSA-N 1 2 346.818 2.282 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+](Cc2ncccn2)C3)cc1 ZINC000981930446 778577983 /nfs/dbraw/zinc/57/79/83/778577983.db2.gz HMRVFVTUAHBLHD-UHFFFAOYSA-N 1 2 346.434 2.196 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@@H+](Cc2ncccn2)C3)cc1 ZINC000981930446 778577989 /nfs/dbraw/zinc/57/79/89/778577989.db2.gz HMRVFVTUAHBLHD-UHFFFAOYSA-N 1 2 346.434 2.196 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075616654 779239386 /nfs/dbraw/zinc/23/93/86/779239386.db2.gz ZTIKTUCYQXSEPV-UWWQBHOKSA-N 1 2 341.842 2.384 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001075616654 779239394 /nfs/dbraw/zinc/23/93/94/779239394.db2.gz ZTIKTUCYQXSEPV-UWWQBHOKSA-N 1 2 341.842 2.384 20 30 EEEDLO Cc1conc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001028247624 779629063 /nfs/dbraw/zinc/62/90/63/779629063.db2.gz SGRIVNWZGACOMV-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1conc1C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001028247624 779629067 /nfs/dbraw/zinc/62/90/67/779629067.db2.gz SGRIVNWZGACOMV-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO CCC(CC)n1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)n1 ZINC001075620973 779643882 /nfs/dbraw/zinc/64/38/82/779643882.db2.gz KLZZAHXOBREMDN-RLFYNMQTSA-N 1 2 343.475 2.437 20 30 EEEDLO CCC(CC)n1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)n1 ZINC001075620973 779643887 /nfs/dbraw/zinc/64/38/87/779643887.db2.gz KLZZAHXOBREMDN-RLFYNMQTSA-N 1 2 343.475 2.437 20 30 EEEDLO CCN(CCNc1ccc(C#N)nc1)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001106947098 779836064 /nfs/dbraw/zinc/83/60/64/779836064.db2.gz FBERPJHHKFUDRE-OAHLLOKOSA-N 1 2 338.415 2.057 20 30 EEEDLO C#C[C@@H](C)[N@H+](C)Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000894060173 780477190 /nfs/dbraw/zinc/47/71/90/780477190.db2.gz PQFFWGHGFJYZFF-HUUCEWRRSA-N 1 2 347.463 2.304 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000894060173 780477194 /nfs/dbraw/zinc/47/71/94/780477194.db2.gz PQFFWGHGFJYZFF-HUUCEWRRSA-N 1 2 347.463 2.304 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ncoc2C)C1 ZINC001087462378 780955401 /nfs/dbraw/zinc/95/54/01/780955401.db2.gz GBDBYVKXUJPGKJ-IAGOWNOFSA-N 1 2 341.386 2.343 20 30 EEEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2ncoc2C)C1 ZINC001087462378 780955407 /nfs/dbraw/zinc/95/54/07/780955407.db2.gz GBDBYVKXUJPGKJ-IAGOWNOFSA-N 1 2 341.386 2.343 20 30 EEEDLO CCN(CCNc1nc(C)ccc1C#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001106964473 781565247 /nfs/dbraw/zinc/56/52/47/781565247.db2.gz LCNMCOWXAPIDDD-HNNXBMFYSA-N 1 2 340.431 2.370 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001101337615 781834753 /nfs/dbraw/zinc/83/47/53/781834753.db2.gz GHUGLXAGZQOLBG-VBQJREDUSA-N 1 2 334.489 2.421 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001101337615 781834761 /nfs/dbraw/zinc/83/47/61/781834761.db2.gz GHUGLXAGZQOLBG-VBQJREDUSA-N 1 2 334.489 2.421 20 30 EEEDLO CC(C)c1nc(C[NH2+][C@@H]2CCCCCN(C(=O)[C@@H](C)C#N)C2)no1 ZINC001088279977 783345108 /nfs/dbraw/zinc/34/51/08/783345108.db2.gz GMUODLKZRFLAKN-UONOGXRCSA-N 1 2 333.436 2.213 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001033288722 783401158 /nfs/dbraw/zinc/40/11/58/783401158.db2.gz ZWGOGRAXWMDPQT-MJBXVCDLSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001033288722 783401166 /nfs/dbraw/zinc/40/11/66/783401166.db2.gz ZWGOGRAXWMDPQT-MJBXVCDLSA-N 1 2 345.281 2.243 20 30 EEEDLO CN(C(=O)[C@H]1CCCO1)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001005087616 783417017 /nfs/dbraw/zinc/41/70/17/783417017.db2.gz JGDONLWXNWFFJR-GOSISDBHSA-N 1 2 345.418 2.299 20 30 EEEDLO CCCc1nc(C[NH2+][C@@H]2CCCCCN(C(=O)C#CC3CC3)C2)no1 ZINC001088312156 783471879 /nfs/dbraw/zinc/47/18/79/783471879.db2.gz PPVWWIKBMMLLKJ-MRXNPFEDSA-N 1 2 344.459 2.296 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CCc3ccc(C)o3)c2C1 ZINC001128586079 783510211 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C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001035419700 784461845 /nfs/dbraw/zinc/46/18/45/784461845.db2.gz JBFMJZCFGAMVGT-RTBURBONSA-N 1 2 344.455 2.197 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC001035419700 784461850 /nfs/dbraw/zinc/46/18/50/784461850.db2.gz JBFMJZCFGAMVGT-RTBURBONSA-N 1 2 344.455 2.197 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)c(C)c2)[C@H](O)C1 ZINC001090525034 784496057 /nfs/dbraw/zinc/49/60/57/784496057.db2.gz JQBISLKSTNLRLU-HUUCEWRRSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)c(C)c2)[C@H](O)C1 ZINC001090525034 784496060 /nfs/dbraw/zinc/49/60/60/784496060.db2.gz JQBISLKSTNLRLU-HUUCEWRRSA-N 1 2 326.799 2.052 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCc3c2cccc3Cl)C1 ZINC001035456413 784507189 /nfs/dbraw/zinc/50/71/89/784507189.db2.gz SBEVYPNOUDMWQX-CZUORRHYSA-N 1 2 334.847 2.373 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCc3c2cccc3Cl)C1 ZINC001035456413 784507194 /nfs/dbraw/zinc/50/71/94/784507194.db2.gz SBEVYPNOUDMWQX-CZUORRHYSA-N 1 2 334.847 2.373 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2-n2cccc2)C1 ZINC001035500292 784598602 /nfs/dbraw/zinc/59/86/02/784598602.db2.gz GFVMSZOFYFLZGG-MRXNPFEDSA-N 1 2 325.412 2.094 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccccc2-n2cccc2)C1 ZINC001035500292 784598609 /nfs/dbraw/zinc/59/86/09/784598609.db2.gz GFVMSZOFYFLZGG-MRXNPFEDSA-N 1 2 325.412 2.094 20 30 EEEDLO C#CCOc1ccc(C(=O)NC[C@@H]2C[N@H+](CC=C(C)C)CCO2)cc1 ZINC001035537410 784641606 /nfs/dbraw/zinc/64/16/06/784641606.db2.gz POVXWSFAVGBHLB-LJQANCHMSA-N 1 2 342.439 2.095 20 30 EEEDLO C#CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC=C(C)C)CCO2)cc1 ZINC001035537410 784641614 /nfs/dbraw/zinc/64/16/14/784641614.db2.gz POVXWSFAVGBHLB-LJQANCHMSA-N 1 2 342.439 2.095 20 30 EEEDLO C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2ccc(C#N)nc2)C1)n1cc[nH+]c1 ZINC001091517396 791049247 /nfs/dbraw/zinc/04/92/47/791049247.db2.gz HPQFVQMIBZYDLE-ZQIUZPCESA-N 1 2 338.415 2.108 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C)nc2OCCC)C1 ZINC001035560213 784734365 /nfs/dbraw/zinc/73/43/65/784734365.db2.gz QIZAWCXLENYMJU-MRXNPFEDSA-N 1 2 347.459 2.186 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C)nc2OCCC)C1 ZINC001035560213 784734370 /nfs/dbraw/zinc/73/43/70/784734370.db2.gz QIZAWCXLENYMJU-MRXNPFEDSA-N 1 2 347.459 2.186 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(OC(C)C)cc2)C1 ZINC001035594756 784747446 /nfs/dbraw/zinc/74/74/46/784747446.db2.gz CYLPNBORDVSPNV-SFHVURJKSA-N 1 2 332.444 2.481 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(OC(C)C)cc2)C1 ZINC001035594756 784747453 /nfs/dbraw/zinc/74/74/53/784747453.db2.gz CYLPNBORDVSPNV-SFHVURJKSA-N 1 2 332.444 2.481 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001035595849 784750441 /nfs/dbraw/zinc/75/04/41/784750441.db2.gz LRTAXUYHEWDMLU-RDJZCZTQSA-N 1 2 334.847 2.373 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001035595849 784750449 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C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cncc(C)c2)cc1 ZINC001032553526 791115773 /nfs/dbraw/zinc/11/57/73/791115773.db2.gz FDSWYTNRAIYPNI-PMACEKPBSA-N 1 2 331.419 2.470 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cncc(C)c2)cc1 ZINC001032553526 791115779 /nfs/dbraw/zinc/11/57/79/791115779.db2.gz FDSWYTNRAIYPNI-PMACEKPBSA-N 1 2 331.419 2.470 20 30 EEEDLO Cc1nc(NC[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)ccc1C#N ZINC001063480792 791125517 /nfs/dbraw/zinc/12/55/17/791125517.db2.gz LUCARAKWUXICJA-OAHLLOKOSA-N 1 2 338.415 2.021 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC/C=C\CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107148275 786108677 /nfs/dbraw/zinc/10/86/77/786108677.db2.gz FPBYQOODWJZIGJ-XFHJGTJQSA-N 1 2 330.432 2.074 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)c1cnn(C)c1)C2 ZINC001109553616 805673848 /nfs/dbraw/zinc/67/38/48/805673848.db2.gz MDWZMSMBJNOOBZ-MWNCTCPHSA-N 1 2 336.867 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)c1cnn(C)c1)C2 ZINC001109553616 805673852 /nfs/dbraw/zinc/67/38/52/805673852.db2.gz MDWZMSMBJNOOBZ-MWNCTCPHSA-N 1 2 336.867 2.388 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C(C)(C)C(=C)Cl)nn2)C1 ZINC001107175079 786225675 /nfs/dbraw/zinc/22/56/75/786225675.db2.gz BDIJXRKIMBGCGV-UHFFFAOYSA-N 1 2 337.855 2.106 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NCc1cn(C2C[NH+](CC=C(C)C)C2)nn1 ZINC001107197115 786355716 /nfs/dbraw/zinc/35/57/16/786355716.db2.gz BJRRCMIETUWPLR-LSDHHAIUSA-N 1 2 331.464 2.175 20 30 EEEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)[C@H](C)C(C)(C)C)nn2)C1 ZINC001107219246 786476055 /nfs/dbraw/zinc/47/60/55/786476055.db2.gz MZIVTDGCJWIDRO-CABCVRRESA-N 1 2 345.491 2.093 20 30 EEEDLO CN(C)c1[nH+]cc(/C=C2\S/C(=N/C3CCCCC3)NC2=O)n1C ZINC000821031296 786566229 /nfs/dbraw/zinc/56/62/29/786566229.db2.gz HSBHLBUUAYCHMD-LCYFTJDESA-N 1 2 333.461 2.379 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc(Cl)c2)[C@@H](O)C1 ZINC001090593238 787171227 /nfs/dbraw/zinc/17/12/27/787171227.db2.gz JLPGHKQFDPWXLS-KBPBESRZSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(F)cc(Cl)c2)[C@@H](O)C1 ZINC001090593238 787171231 /nfs/dbraw/zinc/17/12/31/787171231.db2.gz JLPGHKQFDPWXLS-KBPBESRZSA-N 1 2 347.217 2.397 20 30 EEEDLO CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)cn1 ZINC001006948474 787180761 /nfs/dbraw/zinc/18/07/61/787180761.db2.gz DYKSDOSDZBDJAD-CQSZACIVSA-N 1 2 343.456 2.231 20 30 EEEDLO CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)cn1 ZINC001006948474 787180771 /nfs/dbraw/zinc/18/07/71/787180771.db2.gz DYKSDOSDZBDJAD-CQSZACIVSA-N 1 2 343.456 2.231 20 30 EEEDLO Cc1cc(N(C)C[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)nc(C(C)C)[nH+]1 ZINC001062095945 787377449 /nfs/dbraw/zinc/37/74/49/787377449.db2.gz DMQVTYCRSXKHAZ-HIFRSBDPSA-N 1 2 329.448 2.353 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)(C)C ZINC001109628449 805791931 /nfs/dbraw/zinc/79/19/31/805791931.db2.gz OWYPDBJKMXUPSV-IKGGRYGDSA-N 1 2 347.503 2.064 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)(C)C ZINC001109628449 805791933 /nfs/dbraw/zinc/79/19/33/805791933.db2.gz OWYPDBJKMXUPSV-IKGGRYGDSA-N 1 2 347.503 2.064 20 30 EEEDLO Cc1ccc(C#N)c(NCCCN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001109644163 805818289 /nfs/dbraw/zinc/81/82/89/805818289.db2.gz UPMHLQJXJSJYIJ-CYBMUJFWSA-N 1 2 340.431 2.124 20 30 EEEDLO Cc1ccc(C#N)c(NCCCN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001109644163 805818295 /nfs/dbraw/zinc/81/82/95/805818295.db2.gz UPMHLQJXJSJYIJ-CYBMUJFWSA-N 1 2 340.431 2.124 20 30 EEEDLO Cc1cc(C)c(C(=O)NC/C=C\CNc2ccncc2C#N)c(C)[nH+]1 ZINC001107599282 787843473 /nfs/dbraw/zinc/84/34/73/787843473.db2.gz JJTIHBYGMPVVJS-PLNGDYQASA-N 1 2 335.411 2.094 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(CC)c(CC)o2)[C@H](O)C1 ZINC001090731414 787947991 /nfs/dbraw/zinc/94/79/91/787947991.db2.gz RQYMOQRLKMCKKD-ZIAGYGMSSA-N 1 2 340.851 2.322 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(CC)c(CC)o2)[C@H](O)C1 ZINC001090731414 787947997 /nfs/dbraw/zinc/94/79/97/787947997.db2.gz RQYMOQRLKMCKKD-ZIAGYGMSSA-N 1 2 340.851 2.322 20 30 EEEDLO C=CCCC1(C(=O)NC[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001062364199 787969998 /nfs/dbraw/zinc/96/99/98/787969998.db2.gz KPBUFPKHDNAIEX-MRXNPFEDSA-N 1 2 344.459 2.196 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001062364175 787970519 /nfs/dbraw/zinc/97/05/19/787970519.db2.gz JWTRJRVRWXOAPH-CRAIPNDOSA-N 1 2 332.448 2.052 20 30 EEEDLO Cc1ccc(C#N)c(NCCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001109656858 805837689 /nfs/dbraw/zinc/83/76/89/805837689.db2.gz OCLDERDZBPIFNQ-HUUCEWRRSA-N 1 2 338.415 2.049 20 30 EEEDLO Cc1ccc(C#N)c(NCCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001109656858 805837697 /nfs/dbraw/zinc/83/76/97/805837697.db2.gz OCLDERDZBPIFNQ-HUUCEWRRSA-N 1 2 338.415 2.049 20 30 EEEDLO C#CCCOc1ccc(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc1 ZINC000824914548 788345726 /nfs/dbraw/zinc/34/57/26/788345726.db2.gz UQHNEHVBNCWJRI-QGZVFWFLSA-N 1 2 335.469 2.488 20 30 EEEDLO C#CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc1 ZINC000824914548 788345733 /nfs/dbraw/zinc/34/57/33/788345733.db2.gz UQHNEHVBNCWJRI-QGZVFWFLSA-N 1 2 335.469 2.488 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060233114 788353745 /nfs/dbraw/zinc/35/37/45/788353745.db2.gz NTENFAFWHVCBOV-OAHLLOKOSA-N 1 2 344.459 2.075 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC(C)C)CCC1 ZINC001109683236 805871901 /nfs/dbraw/zinc/87/19/01/805871901.db2.gz CQCHQCXXLPOGIL-IKGGRYGDSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC(C)C)CCC1 ZINC001109683236 805871911 /nfs/dbraw/zinc/87/19/11/805871911.db2.gz CQCHQCXXLPOGIL-IKGGRYGDSA-N 1 2 347.503 2.227 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2coc3ccccc23)[C@H](O)C1 ZINC001090852718 788550921 /nfs/dbraw/zinc/55/09/21/788550921.db2.gz UIWYTOYTYZWOCG-HUUCEWRRSA-N 1 2 334.803 2.350 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2coc3ccccc23)[C@H](O)C1 ZINC001090852718 788550929 /nfs/dbraw/zinc/55/09/29/788550929.db2.gz UIWYTOYTYZWOCG-HUUCEWRRSA-N 1 2 334.803 2.350 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001077723307 788675852 /nfs/dbraw/zinc/67/58/52/788675852.db2.gz UMPPSAUKVFFPOY-LSDHHAIUSA-N 1 2 334.464 2.448 20 30 EEEDLO C/C=C(\C)C(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107853391 788786508 /nfs/dbraw/zinc/78/65/08/788786508.db2.gz OJLVAQZGSCQOQR-MJSAPAGGSA-N 1 2 327.428 2.232 20 30 EEEDLO C/C=C(\C)C(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107853391 788786513 /nfs/dbraw/zinc/78/65/13/788786513.db2.gz OJLVAQZGSCQOQR-MJSAPAGGSA-N 1 2 327.428 2.232 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001006030238 789314840 /nfs/dbraw/zinc/31/48/40/789314840.db2.gz JVYVXBWMHSGRCY-TZMCWYRMSA-N 1 2 345.281 2.385 20 30 EEEDLO C#Cc1cccc(NC(=O)C[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)c1 ZINC000056202025 789354047 /nfs/dbraw/zinc/35/40/47/789354047.db2.gz PYSALXNKHCPVPU-HXUWFJFHSA-N 1 2 347.418 2.216 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091015466 789414490 /nfs/dbraw/zinc/41/44/90/789414490.db2.gz HTNZICZYVBTWJG-UMVBOHGHSA-N 1 2 346.479 2.107 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3c2CCCC3)[C@@H](O)C1 ZINC001090280198 789534866 /nfs/dbraw/zinc/53/48/66/789534866.db2.gz RTUYBIAGXOXENV-ROUUACIJSA-N 1 2 348.874 2.483 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3c2CCCC3)[C@@H](O)C1 ZINC001090280198 789534874 /nfs/dbraw/zinc/53/48/74/789534874.db2.gz RTUYBIAGXOXENV-ROUUACIJSA-N 1 2 348.874 2.483 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)OCCCCCC)C1 ZINC001107942447 789580398 /nfs/dbraw/zinc/58/03/98/789580398.db2.gz SIWVLUPYNXLCBN-PKOBYXMFSA-N 1 2 338.492 2.202 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)OCCCCCC)C1 ZINC001107942447 789580404 /nfs/dbraw/zinc/58/04/04/789580404.db2.gz SIWVLUPYNXLCBN-PKOBYXMFSA-N 1 2 338.492 2.202 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H](OCC)C2=CCCC2)C1 ZINC001107945302 789674112 /nfs/dbraw/zinc/67/41/12/789674112.db2.gz DABQFXGJFVMZSD-UYAOXDASSA-N 1 2 348.487 2.122 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H](OCC)C2=CCCC2)C1 ZINC001107945302 789674117 /nfs/dbraw/zinc/67/41/17/789674117.db2.gz DABQFXGJFVMZSD-UYAOXDASSA-N 1 2 348.487 2.122 20 30 EEEDLO C[C@H](CC(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1)n1cc[nH+]c1 ZINC000845277982 789705280 /nfs/dbraw/zinc/70/52/80/789705280.db2.gz QUQUBUWIMGSJEK-ZIAGYGMSSA-N 1 2 332.404 2.109 20 30 EEEDLO C=CCOCC(=O)N[C@H](CNc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC001109791641 805994549 /nfs/dbraw/zinc/99/45/49/805994549.db2.gz FWXURBUPHLQMCL-OAHLLOKOSA-N 1 2 332.448 2.418 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)C(=O)c2cccc(F)c2)C1 ZINC000923575422 789801708 /nfs/dbraw/zinc/80/17/08/789801708.db2.gz YSTPMZSUSGGXBR-RHSMWYFYSA-N 1 2 330.403 2.248 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)C(=O)c2cccc(F)c2)C1 ZINC000923575422 789801715 /nfs/dbraw/zinc/80/17/15/789801715.db2.gz YSTPMZSUSGGXBR-RHSMWYFYSA-N 1 2 330.403 2.248 20 30 EEEDLO CC(C)(C)n1ncc(C#N)c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212350323 789815441 /nfs/dbraw/zinc/81/54/41/789815441.db2.gz RBEGJITUMBSAKC-UHFFFAOYSA-N 1 2 326.404 2.485 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@@H]1O ZINC001091170212 789967997 /nfs/dbraw/zinc/96/79/97/789967997.db2.gz SELKHEWOQPNFSH-IMJJTQAJSA-N 1 2 346.475 2.176 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nn1C(CC)CC ZINC001032489065 790137812 /nfs/dbraw/zinc/13/78/12/790137812.db2.gz UCANGPYLJSJAIQ-IRXDYDNUSA-N 1 2 328.460 2.475 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nn1C(CC)CC ZINC001032489065 790137816 /nfs/dbraw/zinc/13/78/16/790137816.db2.gz UCANGPYLJSJAIQ-IRXDYDNUSA-N 1 2 328.460 2.475 20 30 EEEDLO CC[C@H](C)c1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#CCOC)on1 ZINC001109811963 806029756 /nfs/dbraw/zinc/02/97/56/806029756.db2.gz XXQXNSITWKWWLM-FSDCSDTHSA-N 1 2 345.443 2.173 20 30 EEEDLO CC[C@H](C)c1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#CCOC)on1 ZINC001109811963 806029761 /nfs/dbraw/zinc/02/97/61/806029761.db2.gz XXQXNSITWKWWLM-FSDCSDTHSA-N 1 2 345.443 2.173 20 30 EEEDLO C#CCCCCC(=O)NC1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001063071548 790190337 /nfs/dbraw/zinc/19/03/37/790190337.db2.gz CWZWHXBJPLCIDD-MRXNPFEDSA-N 1 2 344.459 2.183 20 30 EEEDLO NC(=[NH+]OCC(=O)Nc1ccc(F)cc1F)c1ccc2c(c1)CCO2 ZINC000158222798 790223149 /nfs/dbraw/zinc/22/31/49/790223149.db2.gz HYEUVPPSPQFJQL-UHFFFAOYSA-N 1 2 347.321 2.175 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(N3CCCC3)nn2)[C@H]1C ZINC001088972398 791780557 /nfs/dbraw/zinc/78/05/57/791780557.db2.gz HGFRVYLBTGTQHA-KGLIPLIRSA-N 1 2 349.866 2.022 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N3CCCC3)nn2)[C@H]1C ZINC001088972398 791780562 /nfs/dbraw/zinc/78/05/62/791780562.db2.gz HGFRVYLBTGTQHA-KGLIPLIRSA-N 1 2 349.866 2.022 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C(=O)N(C)C)[C@H]1C ZINC001088987125 791826279 /nfs/dbraw/zinc/82/62/79/791826279.db2.gz JZCLDDLQGSZYPM-CJNGLKHVSA-N 1 2 349.862 2.334 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C(=O)N(C)C)[C@H]1C ZINC001088987125 791826283 /nfs/dbraw/zinc/82/62/83/791826283.db2.gz JZCLDDLQGSZYPM-CJNGLKHVSA-N 1 2 349.862 2.334 20 30 EEEDLO COc1ccccc1CNC(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000063458116 791860715 /nfs/dbraw/zinc/86/07/15/791860715.db2.gz QQEITUYQBNDZSP-UHFFFAOYSA-N 1 2 345.374 2.096 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCOC2)[C@H]1C ZINC001089044317 791958028 /nfs/dbraw/zinc/95/80/28/791958028.db2.gz YFJXCLDHNKFUQN-RDBSUJKOSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCOC2)[C@H]1C ZINC001089044317 791958033 /nfs/dbraw/zinc/95/80/33/791958033.db2.gz YFJXCLDHNKFUQN-RDBSUJKOSA-N 1 2 345.281 2.291 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1CC ZINC001091781193 793292629 /nfs/dbraw/zinc/29/26/29/793292629.db2.gz RCLDVSHJXWRBDB-JKSUJKDBSA-N 1 2 332.448 2.078 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)o3)C[C@@]2(C)C1 ZINC001091917078 793403069 /nfs/dbraw/zinc/40/30/69/793403069.db2.gz SCANQKOHZJTDIW-KUHUBIRLSA-N 1 2 344.459 2.440 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)o3)C[C@@]2(C)C1 ZINC001091917078 793403075 /nfs/dbraw/zinc/40/30/75/793403075.db2.gz SCANQKOHZJTDIW-KUHUBIRLSA-N 1 2 344.459 2.440 20 30 EEEDLO C=CCCC(=O)N[C@H](C)C[C@@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001089251487 793667962 /nfs/dbraw/zinc/66/79/62/793667962.db2.gz WALXBRGKVIPBPC-ZIAGYGMSSA-N 1 2 331.464 2.126 20 30 EEEDLO C=CCCC(=O)N[C@H](C)C[C@@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001089251487 793667968 /nfs/dbraw/zinc/66/79/68/793667968.db2.gz WALXBRGKVIPBPC-ZIAGYGMSSA-N 1 2 331.464 2.126 20 30 EEEDLO C#CCC1(C(=O)N2C[C@H]3CN(c4cc[nH+]c(C)n4)C[C@@]3(C)C2)CCC1 ZINC001092299920 793776031 /nfs/dbraw/zinc/77/60/31/793776031.db2.gz KGNSIFUNXQYMML-APWZRJJASA-N 1 2 338.455 2.263 20 30 EEEDLO CC(C)C(=O)N[C@H]1CC2(C[NH+](Cc3cccc(C#N)c3)C2)n2ccnc21 ZINC001092350421 793822672 /nfs/dbraw/zinc/82/26/72/793822672.db2.gz RSQASDBNNLGAQG-KRWDZBQOSA-N 1 2 349.438 2.183 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C)c(F)c1)c1nccn12 ZINC001092379560 793873085 /nfs/dbraw/zinc/87/30/85/793873085.db2.gz HBVNRRQISWMNAP-MRXNPFEDSA-N 1 2 340.402 2.402 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccoc1C1CC1)c1nccn12 ZINC001092390565 793887629 /nfs/dbraw/zinc/88/76/29/793887629.db2.gz BCTFSXZWZOOUPI-HNNXBMFYSA-N 1 2 338.411 2.425 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc3cc[nH]c31)c1nccn12 ZINC001092396508 793895220 /nfs/dbraw/zinc/89/52/20/793895220.db2.gz FMKPNNRHHHFSIO-MRXNPFEDSA-N 1 2 347.422 2.436 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1C1CCC1)c1nccn12 ZINC001092404142 793905772 /nfs/dbraw/zinc/90/57/72/793905772.db2.gz NPPDNORXQFTUOX-XHSDSOJGSA-N 1 2 326.444 2.077 20 30 EEEDLO C=C1CC(C)(C(=O)NC2C[NH+](C[C@@H](O)c3ccc(CC)cc3)C2)C1 ZINC001030924847 793929785 /nfs/dbraw/zinc/92/97/85/793929785.db2.gz ZDFXQQIFCLYVEQ-GOSISDBHSA-N 1 2 328.456 2.439 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(CC)[nH+]c(C)n1 ZINC001092963925 794502148 /nfs/dbraw/zinc/50/21/48/794502148.db2.gz TZOWOUSAHYOEFX-ZACQAIPSSA-N 1 2 326.444 2.377 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccn2C(F)F)C1 ZINC001036713794 794600187 /nfs/dbraw/zinc/60/01/87/794600187.db2.gz OETRFIBCHACXLT-LSDHHAIUSA-N 1 2 348.397 2.114 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccn2C(F)F)C1 ZINC001036713794 794600188 /nfs/dbraw/zinc/60/01/88/794600188.db2.gz OETRFIBCHACXLT-LSDHHAIUSA-N 1 2 348.397 2.114 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccc3[nH]nnc3c2)[C@H](C)C1 ZINC001093190503 794808424 /nfs/dbraw/zinc/80/84/24/794808424.db2.gz JMWQKFDYDYZHKT-ZWNOBZJWSA-N 1 2 333.823 2.008 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ccc3[nH]nnc3c2)[C@H](C)C1 ZINC001093190503 794808431 /nfs/dbraw/zinc/80/84/31/794808431.db2.gz JMWQKFDYDYZHKT-ZWNOBZJWSA-N 1 2 333.823 2.008 20 30 EEEDLO CCc1nc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC001079581036 794960695 /nfs/dbraw/zinc/96/06/95/794960695.db2.gz BOLUZUPPOQPYPL-IAQYHMDHSA-N 1 2 343.456 2.156 20 30 EEEDLO CCc1nc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC001079581036 794960697 /nfs/dbraw/zinc/96/06/97/794960697.db2.gz BOLUZUPPOQPYPL-IAQYHMDHSA-N 1 2 343.456 2.156 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC(N(CC)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079855046 795283842 /nfs/dbraw/zinc/28/38/42/795283842.db2.gz LYVCOHLTZVLXJB-AWEZNQCLSA-N 1 2 346.475 2.250 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC(N(CC)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079855046 795283848 /nfs/dbraw/zinc/28/38/48/795283848.db2.gz LYVCOHLTZVLXJB-AWEZNQCLSA-N 1 2 346.475 2.250 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001107997302 795305285 /nfs/dbraw/zinc/30/52/85/795305285.db2.gz WFZLEGXVGRDZRO-XLIONFOSSA-N 1 2 344.455 2.118 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCc3ccc(OC)cc32)C1 ZINC001107997302 795305294 /nfs/dbraw/zinc/30/52/94/795305294.db2.gz WFZLEGXVGRDZRO-XLIONFOSSA-N 1 2 344.455 2.118 20 30 EEEDLO C=C(C)CCC(=O)N(CC)C1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079879974 795313503 /nfs/dbraw/zinc/31/35/03/795313503.db2.gz PRMTYMLFIFOBPG-CQSZACIVSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C(C)CCC(=O)N(CC)C1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079879974 795313510 /nfs/dbraw/zinc/31/35/10/795313510.db2.gz PRMTYMLFIFOBPG-CQSZACIVSA-N 1 2 332.448 2.004 20 30 EEEDLO Cc1nc(NCC[C@@H](C)NC(=O)CCCn2cc[nH+]c2)ccc1C#N ZINC001106362587 795454648 /nfs/dbraw/zinc/45/46/48/795454648.db2.gz PDYJEGMYDOBXSL-CQSZACIVSA-N 1 2 340.431 2.245 20 30 EEEDLO C#CCCCCCC(=O)N[C@H](C)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106531755 795776746 /nfs/dbraw/zinc/77/67/46/795776746.db2.gz NUFLAMPJAUCSSS-CQSZACIVSA-N 1 2 346.479 2.136 20 30 EEEDLO C=CCCC(=O)N1CC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001060940320 795809470 /nfs/dbraw/zinc/80/94/70/795809470.db2.gz ZRDLLLHPVXBOFF-INIZCTEOSA-N 1 2 344.459 2.251 20 30 EEEDLO Cc1cnc(C[N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)s1 ZINC000993208316 795933523 /nfs/dbraw/zinc/93/35/23/795933523.db2.gz YFFWRUSCLNLDOV-WFASDCNBSA-N 1 2 343.456 2.434 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)s1 ZINC000993208316 795933529 /nfs/dbraw/zinc/93/35/29/795933529.db2.gz YFFWRUSCLNLDOV-WFASDCNBSA-N 1 2 343.456 2.434 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N[C@H](C)CCNc2ncccc2C#N)c[nH+]1 ZINC001106626247 795989363 /nfs/dbraw/zinc/98/93/63/795989363.db2.gz VAUXKRWSAWNWNK-CYBMUJFWSA-N 1 2 340.431 2.200 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CCC=CCCC3)nn2)C1 ZINC001094296799 796097642 /nfs/dbraw/zinc/09/76/42/796097642.db2.gz CGEAWYFIIOBRLG-HNNXBMFYSA-N 1 2 329.448 2.074 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]3C3CCCC3)nn2)C1 ZINC001094331549 796104711 /nfs/dbraw/zinc/10/47/11/796104711.db2.gz BNRFCQRHPVDEDB-QZTJIDSGSA-N 1 2 343.475 2.153 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NC[C@]34CCC[C@H]3N(CC#N)CC4)ccn12 ZINC001094416363 796205189 /nfs/dbraw/zinc/20/51/89/796205189.db2.gz PUKZXYIISYRRTD-VQIMIIECSA-N 1 2 337.427 2.141 20 30 EEEDLO C=CCOc1cccnc1C(=O)NC1C[NH+](CCc2ccccc2)C1 ZINC001031231947 796247013 /nfs/dbraw/zinc/24/70/13/796247013.db2.gz RHDHKGSXQLVUEU-UHFFFAOYSA-N 1 2 337.423 2.303 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(CC)nn(C)c2Cl)C1 ZINC001080736492 796355543 /nfs/dbraw/zinc/35/55/43/796355543.db2.gz MORKIZNOMMECQV-BXKDBHETSA-N 1 2 345.274 2.439 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c(CC)nn(C)c2Cl)C1 ZINC001080736492 796355547 /nfs/dbraw/zinc/35/55/47/796355547.db2.gz MORKIZNOMMECQV-BXKDBHETSA-N 1 2 345.274 2.439 20 30 EEEDLO C[C@H](C[C@H](C)Nc1ncc(C#N)cc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001089346266 796369082 /nfs/dbraw/zinc/36/90/82/796369082.db2.gz OVXAGOVUZCNJDH-NEPJUHHUSA-N 1 2 346.822 2.199 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn(C3CCC3)nn2)[C@@H]1C ZINC000993369133 796473116 /nfs/dbraw/zinc/47/31/16/796473116.db2.gz ULRSWKNNJMBCRX-GXTWGEPZSA-N 1 2 337.855 2.338 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C3CCC3)nn2)[C@@H]1C ZINC000993369133 796473120 /nfs/dbraw/zinc/47/31/20/796473120.db2.gz ULRSWKNNJMBCRX-GXTWGEPZSA-N 1 2 337.855 2.338 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C[C@H]3CCCC(C)(C)C3)CC2=O)C1 ZINC001094803478 796600155 /nfs/dbraw/zinc/60/01/55/796600155.db2.gz FVEYLUCVVVALHV-CVEARBPZSA-N 1 2 347.503 2.180 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnn(C)c2Cl)[C@H]1C ZINC000993482027 796763576 /nfs/dbraw/zinc/76/35/76/796763576.db2.gz GMWUHRGXOKIPFB-ZYHUDNBSSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn(C)c2Cl)[C@H]1C ZINC000993482027 796763579 /nfs/dbraw/zinc/76/35/79/796763579.db2.gz GMWUHRGXOKIPFB-ZYHUDNBSSA-N 1 2 331.247 2.409 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(F)F)ccc2F)[C@H](OC)C1 ZINC001081678552 796849561 /nfs/dbraw/zinc/84/95/61/796849561.db2.gz WOQUYTIBFBYEBH-HUUCEWRRSA-N 1 2 340.345 2.216 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(F)F)ccc2F)[C@H](OC)C1 ZINC001081678552 796849567 /nfs/dbraw/zinc/84/95/67/796849567.db2.gz WOQUYTIBFBYEBH-HUUCEWRRSA-N 1 2 340.345 2.216 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cnco2)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000993644828 796868042 /nfs/dbraw/zinc/86/80/42/796868042.db2.gz OYNZUUVIDRUWTF-MLGOLLRUSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cnco2)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000993644828 796868046 /nfs/dbraw/zinc/86/80/46/796868046.db2.gz OYNZUUVIDRUWTF-MLGOLLRUSA-N 1 2 342.374 2.468 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cc(CC)nn2C)[C@H]1C ZINC000993623181 796878498 /nfs/dbraw/zinc/87/84/98/796878498.db2.gz NYAJQRHVWQIDJF-CJNGLKHVSA-N 1 2 338.883 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cc(CC)nn2C)[C@H]1C ZINC000993623181 796878502 /nfs/dbraw/zinc/87/85/02/796878502.db2.gz NYAJQRHVWQIDJF-CJNGLKHVSA-N 1 2 338.883 2.247 20 30 EEEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172149564 796900894 /nfs/dbraw/zinc/90/08/94/796900894.db2.gz GSISZEMKXOFSEQ-KSZLIROESA-N 1 2 342.439 2.070 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H](C)C1CCC1 ZINC001081843159 796950659 /nfs/dbraw/zinc/95/06/59/796950659.db2.gz OIELETJCBFPXNK-NIKGAXFTSA-N 1 2 341.455 2.310 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H](C)C1CCC1 ZINC001081843159 796950662 /nfs/dbraw/zinc/95/06/62/796950662.db2.gz OIELETJCBFPXNK-NIKGAXFTSA-N 1 2 341.455 2.310 20 30 EEEDLO C[C@@H](CCCC#N)[NH+]1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC001172491999 797005434 /nfs/dbraw/zinc/00/54/34/797005434.db2.gz IQFCFZCQCBFTAU-AWEZNQCLSA-N 1 2 339.436 2.214 20 30 EEEDLO Cc1nc(NC2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)ccc1C#N ZINC001060624883 797116618 /nfs/dbraw/zinc/11/66/18/797116618.db2.gz OOBRAQIXMRPTRG-UHFFFAOYSA-N 1 2 338.415 2.067 20 30 EEEDLO N#Cc1cccnc1NC[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001061024450 797201704 /nfs/dbraw/zinc/20/17/04/797201704.db2.gz DKYOWUYWRWRAHT-CYBMUJFWSA-N 1 2 346.394 2.404 20 30 EEEDLO C#CCCCCC(=O)NC[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001082131968 797222420 /nfs/dbraw/zinc/22/24/20/797222420.db2.gz HIBHPJCBVPVXAD-KRWDZBQOSA-N 1 2 344.459 2.033 20 30 EEEDLO C#CCCCCC(=O)NC[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001082131968 797222422 /nfs/dbraw/zinc/22/24/22/797222422.db2.gz HIBHPJCBVPVXAD-KRWDZBQOSA-N 1 2 344.459 2.033 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001082132331 797224173 /nfs/dbraw/zinc/22/41/73/797224173.db2.gz WMELXQGNUVLCOK-INIZCTEOSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001082132331 797224177 /nfs/dbraw/zinc/22/41/77/797224177.db2.gz WMELXQGNUVLCOK-INIZCTEOSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001082187096 797305308 /nfs/dbraw/zinc/30/53/08/797305308.db2.gz RNJWBZNBLVNHMN-LPHOPBHVSA-N 1 2 346.475 2.373 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001082237130 797337813 /nfs/dbraw/zinc/33/78/13/797337813.db2.gz LYMOPEQFGFFULO-IRXDYDNUSA-N 1 2 346.475 2.373 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001082251113 797369975 /nfs/dbraw/zinc/36/99/75/797369975.db2.gz BLDPTSIGVDPKBM-KBXCAEBGSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn(C)nc2Cl)[C@@H]1C ZINC000994220365 797399506 /nfs/dbraw/zinc/39/95/06/797399506.db2.gz NUTHTLYPWUJMOT-CMPLNLGQSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)nc2Cl)[C@@H]1C ZINC000994220365 797399512 /nfs/dbraw/zinc/39/95/12/797399512.db2.gz NUTHTLYPWUJMOT-CMPLNLGQSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3nnn(C)c3c2)[C@H]1C ZINC000994293429 797775907 /nfs/dbraw/zinc/77/59/07/797775907.db2.gz AWRZALVBGKMLLS-TZMCWYRMSA-N 1 2 347.850 2.304 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3nnn(C)c3c2)[C@H]1C ZINC000994293429 797775911 /nfs/dbraw/zinc/77/59/11/797775911.db2.gz AWRZALVBGKMLLS-TZMCWYRMSA-N 1 2 347.850 2.304 20 30 EEEDLO Cc1cccc(Cl)c1C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C#N)[C@H]2C1 ZINC001083027019 797819900 /nfs/dbraw/zinc/81/99/00/797819900.db2.gz WJUZTRUVRCQJLR-RRQGHBQHSA-N 1 2 347.846 2.220 20 30 EEEDLO Cc1cccc(Cl)c1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C#N)[C@H]2C1 ZINC001083027019 797819905 /nfs/dbraw/zinc/81/99/05/797819905.db2.gz WJUZTRUVRCQJLR-RRQGHBQHSA-N 1 2 347.846 2.220 20 30 EEEDLO CC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CCCCC1 ZINC001083750731 797862918 /nfs/dbraw/zinc/86/29/18/797862918.db2.gz LIXNCPBMEVXBGY-CVEARBPZSA-N 1 2 347.484 2.251 20 30 EEEDLO CC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CCCCC1 ZINC001083750731 797862924 /nfs/dbraw/zinc/86/29/24/797862924.db2.gz LIXNCPBMEVXBGY-CVEARBPZSA-N 1 2 347.484 2.251 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cccc(C)n2)CC1 ZINC001002349216 797946161 /nfs/dbraw/zinc/94/61/61/797946161.db2.gz DVQJAMHYOTVHIP-UHFFFAOYSA-N 1 2 338.249 2.493 20 30 EEEDLO C[N@@H+]1CCCn2nc(C(=O)Nc3c(C#N)ccc(F)c3F)cc2C1 ZINC001175088380 797995869 /nfs/dbraw/zinc/99/58/69/797995869.db2.gz NFJPCSDSDUKTCR-UHFFFAOYSA-N 1 2 331.326 2.121 20 30 EEEDLO C[N@H+]1CCCn2nc(C(=O)Nc3c(C#N)ccc(F)c3F)cc2C1 ZINC001175088380 797995872 /nfs/dbraw/zinc/99/58/72/797995872.db2.gz NFJPCSDSDUKTCR-UHFFFAOYSA-N 1 2 331.326 2.121 20 30 EEEDLO C[N@@H+]1CCCn2nc(C(=O)NC(C)(C)c3ccc(C#N)cc3)cc2C1 ZINC001175093969 797998867 /nfs/dbraw/zinc/99/88/67/797998867.db2.gz AWZKXBYRGAMEBD-UHFFFAOYSA-N 1 2 337.427 2.255 20 30 EEEDLO C[N@H+]1CCCn2nc(C(=O)NC(C)(C)c3ccc(C#N)cc3)cc2C1 ZINC001175093969 797998870 /nfs/dbraw/zinc/99/88/70/797998870.db2.gz AWZKXBYRGAMEBD-UHFFFAOYSA-N 1 2 337.427 2.255 20 30 EEEDLO O=C(c1ccncc1)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084151155 798001753 /nfs/dbraw/zinc/00/17/53/798001753.db2.gz VVCRTMFMDXZLLX-UYAOXDASSA-N 1 2 349.409 2.419 20 30 EEEDLO O=C(c1ccncc1)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084151155 798001759 /nfs/dbraw/zinc/00/17/59/798001759.db2.gz VVCRTMFMDXZLLX-UYAOXDASSA-N 1 2 349.409 2.419 20 30 EEEDLO Cc1ocnc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084221449 798081377 /nfs/dbraw/zinc/08/13/77/798081377.db2.gz WTDJVKHOWTVBKV-QZTJIDSGSA-N 1 2 335.407 2.181 20 30 EEEDLO Cc1ocnc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084221449 798081382 /nfs/dbraw/zinc/08/13/82/798081382.db2.gz WTDJVKHOWTVBKV-QZTJIDSGSA-N 1 2 335.407 2.181 20 30 EEEDLO CC/C(C)=C/C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001212222960 798087708 /nfs/dbraw/zinc/08/77/08/798087708.db2.gz CZRYPPZHKBEQBX-HCEMZMHWSA-N 1 2 345.418 2.369 20 30 EEEDLO CC/C(C)=C/C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001212222960 798087714 /nfs/dbraw/zinc/08/77/14/798087714.db2.gz CZRYPPZHKBEQBX-HCEMZMHWSA-N 1 2 345.418 2.369 20 30 EEEDLO Cc1ncoc1C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084258665 798110021 /nfs/dbraw/zinc/11/00/21/798110021.db2.gz XVAXZLZFZXFWKD-QZTJIDSGSA-N 1 2 335.407 2.181 20 30 EEEDLO Cc1ncoc1C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084258665 798110026 /nfs/dbraw/zinc/11/00/26/798110026.db2.gz XVAXZLZFZXFWKD-QZTJIDSGSA-N 1 2 335.407 2.181 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(-c3cccc(F)c3)no2)CC1 ZINC000139284912 798143763 /nfs/dbraw/zinc/14/37/63/798143763.db2.gz MTAXLMKQJVCRJN-UHFFFAOYSA-N 1 2 327.359 2.262 20 30 EEEDLO Cc1ncoc1C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001002538008 798219688 /nfs/dbraw/zinc/21/96/88/798219688.db2.gz YVSIQCLXNNHOBW-UHFFFAOYSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(C)c3CCC)[C@@H]2C1 ZINC001084482110 798231255 /nfs/dbraw/zinc/23/12/55/798231255.db2.gz FPFOIDOQHVAMQX-CZUORRHYSA-N 1 2 336.867 2.271 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(C)c3CCC)[C@@H]2C1 ZINC001084482110 798231259 /nfs/dbraw/zinc/23/12/59/798231259.db2.gz FPFOIDOQHVAMQX-CZUORRHYSA-N 1 2 336.867 2.271 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3cnc(C)cn3)C[C@H]21 ZINC001084574011 798278408 /nfs/dbraw/zinc/27/84/08/798278408.db2.gz LUEIVPPVGQGSPW-NVXWUHKLSA-N 1 2 328.460 2.420 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cnc(C)cn3)C[C@H]21 ZINC001084574011 798278411 /nfs/dbraw/zinc/27/84/11/798278411.db2.gz LUEIVPPVGQGSPW-NVXWUHKLSA-N 1 2 328.460 2.420 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cnnn4CC)C[C@H]32)CC1 ZINC001084634075 798327017 /nfs/dbraw/zinc/32/70/17/798327017.db2.gz AOEWQPPDMWCOTD-SJLPKXTDSA-N 1 2 343.475 2.077 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4cnnn4CC)C[C@H]32)CC1 ZINC001084634075 798327021 /nfs/dbraw/zinc/32/70/21/798327021.db2.gz AOEWQPPDMWCOTD-SJLPKXTDSA-N 1 2 343.475 2.077 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@@H+](Cc4snnc4C)C[C@H]32)C1 ZINC001084645907 798336445 /nfs/dbraw/zinc/33/64/45/798336445.db2.gz JZUBKSZOGWBUHI-ZIAGYGMSSA-N 1 2 332.473 2.236 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](Cc4snnc4C)C[C@H]32)C1 ZINC001084645907 798336451 /nfs/dbraw/zinc/33/64/51/798336451.db2.gz JZUBKSZOGWBUHI-ZIAGYGMSSA-N 1 2 332.473 2.236 20 30 EEEDLO C=CCCC(=O)NCc1cnn2c1C[N@H+](CC[C@@H]1CCCCO1)CC2 ZINC001128259474 798574087 /nfs/dbraw/zinc/57/40/87/798574087.db2.gz GBRXYKNNLGZMKB-KRWDZBQOSA-N 1 2 346.475 2.240 20 30 EEEDLO C=CCCC(=O)NCc1cnn2c1C[N@@H+](CC[C@@H]1CCCCO1)CC2 ZINC001128259474 798574091 /nfs/dbraw/zinc/57/40/91/798574091.db2.gz GBRXYKNNLGZMKB-KRWDZBQOSA-N 1 2 346.475 2.240 20 30 EEEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](C)C#N)c2C1 ZINC001128265379 798590848 /nfs/dbraw/zinc/59/08/48/798590848.db2.gz YZKPNSRTFCGWQD-OAHLLOKOSA-N 1 2 331.464 2.445 20 30 EEEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@H](C)C#N)c2C1 ZINC001128265379 798590853 /nfs/dbraw/zinc/59/08/53/798590853.db2.gz YZKPNSRTFCGWQD-OAHLLOKOSA-N 1 2 331.464 2.445 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCc3scnc3C)[C@@H]2C1 ZINC001176955423 798656194 /nfs/dbraw/zinc/65/61/94/798656194.db2.gz SVCOIKYLCWGQOJ-CVEARBPZSA-N 1 2 349.500 2.262 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]2OCC[N@H+](CCc3scnc3C)[C@@H]2C1 ZINC001176955423 798656197 /nfs/dbraw/zinc/65/61/97/798656197.db2.gz SVCOIKYLCWGQOJ-CVEARBPZSA-N 1 2 349.500 2.262 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)CC(C)(C)CC)C[C@@H]21 ZINC001177025757 798702410 /nfs/dbraw/zinc/70/24/10/798702410.db2.gz ULZKAILIVLNNNC-IRXDYDNUSA-N 1 2 338.492 2.317 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC(C)(C)CC)C[C@@H]21 ZINC001177025757 798702415 /nfs/dbraw/zinc/70/24/15/798702415.db2.gz ULZKAILIVLNNNC-IRXDYDNUSA-N 1 2 338.492 2.317 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](CCOC(C)C)[C@H]2C1 ZINC001177061206 798721721 /nfs/dbraw/zinc/72/17/21/798721721.db2.gz JMTHUIVICADPRD-DLBZAZTESA-N 1 2 338.492 2.315 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](CCOC(C)C)[C@H]2C1 ZINC001177061206 798721722 /nfs/dbraw/zinc/72/17/22/798721722.db2.gz JMTHUIVICADPRD-DLBZAZTESA-N 1 2 338.492 2.315 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCc3ccccc3)C[C@@H]21 ZINC001177079494 798732245 /nfs/dbraw/zinc/73/22/45/798732245.db2.gz DCOHQPZARKLNFD-PMACEKPBSA-N 1 2 340.467 2.334 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCc3ccccc3)C[C@@H]21 ZINC001177079494 798732247 /nfs/dbraw/zinc/73/22/47/798732247.db2.gz DCOHQPZARKLNFD-PMACEKPBSA-N 1 2 340.467 2.334 20 30 EEEDLO O=C(C#CC1CC1)NCc1cnn2c1C[N@H+](CC1=CCCCC1)CC2 ZINC001128346697 798987926 /nfs/dbraw/zinc/98/79/26/798987926.db2.gz DACCKUJERNEFAD-UHFFFAOYSA-N 1 2 338.455 2.229 20 30 EEEDLO O=C(C#CC1CC1)NCc1cnn2c1C[N@@H+](CC1=CCCCC1)CC2 ZINC001128346697 798987931 /nfs/dbraw/zinc/98/79/31/798987931.db2.gz DACCKUJERNEFAD-UHFFFAOYSA-N 1 2 338.455 2.229 20 30 EEEDLO C=CC(C)(C)CC(=O)NCc1cnn2c1C[N@H+](CCC[C@H](C)O)CC2 ZINC001128366689 799059739 /nfs/dbraw/zinc/05/97/39/799059739.db2.gz KFFNKKIAJNUTES-HNNXBMFYSA-N 1 2 348.491 2.078 20 30 EEEDLO C=CC(C)(C)CC(=O)NCc1cnn2c1C[N@@H+](CCC[C@H](C)O)CC2 ZINC001128366689 799059744 /nfs/dbraw/zinc/05/97/44/799059744.db2.gz KFFNKKIAJNUTES-HNNXBMFYSA-N 1 2 348.491 2.078 20 30 EEEDLO C#CCC1(C(=O)NCc2cnn3c2C[N@H+](CCC=C)CC3)CCC1 ZINC001128382541 799132309 /nfs/dbraw/zinc/13/23/09/799132309.db2.gz XUXNKDLCUJJHHY-UHFFFAOYSA-N 1 2 326.444 2.085 20 30 EEEDLO C#CCC1(C(=O)NCc2cnn3c2C[N@@H+](CCC=C)CC3)CCC1 ZINC001128382541 799132314 /nfs/dbraw/zinc/13/23/14/799132314.db2.gz XUXNKDLCUJJHHY-UHFFFAOYSA-N 1 2 326.444 2.085 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)/C=C\C3CC3)CC2)C1 ZINC001065704388 799351951 /nfs/dbraw/zinc/35/19/51/799351951.db2.gz MFHMGZYFQWEVSB-XOWYPZSQSA-N 1 2 345.487 2.054 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C=C/C(C)(C)C)C2)CC1 ZINC001065701053 799390680 /nfs/dbraw/zinc/39/06/80/799390680.db2.gz XHGHJLGJNPDTBI-SYJIQKIWSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)/C=C\C3CC3)CC2)C1 ZINC001065711932 799409553 /nfs/dbraw/zinc/40/95/53/799409553.db2.gz RKWVFQMPVXRZPP-GIFJBRJJSA-N 1 2 345.487 2.054 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H]([NH2+]Cc2nc(CCC)no2)[C@@H]1C ZINC001178503821 799520674 /nfs/dbraw/zinc/52/06/74/799520674.db2.gz RZQCIXOPWLOWNI-GJZGRUSLSA-N 1 2 332.448 2.295 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NCc1cnn2c1C[N@H+](CCCOCC)CC2 ZINC001128447877 799561144 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/nfs/dbraw/zinc/84/38/20/804843820.db2.gz LWLAGERFJWNOFK-GFCCVEGCSA-N 1 2 337.427 2.033 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)CN(C)c2cc(C)[nH+]c(C3CC3)n2)cn1 ZINC001109031940 804845193 /nfs/dbraw/zinc/84/51/93/804845193.db2.gz VTKMJOJJZQOJLL-AWEZNQCLSA-N 1 2 349.438 2.293 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)CN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001109220348 805150506 /nfs/dbraw/zinc/15/05/06/805150506.db2.gz XRQWXTJBUDSXHN-IFXJQAMLSA-N 1 2 345.491 2.008 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)CN(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001109220348 805150510 /nfs/dbraw/zinc/15/05/10/805150510.db2.gz XRQWXTJBUDSXHN-IFXJQAMLSA-N 1 2 345.491 2.008 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H](C)CN(C)c2cc(C)[nH+]c(C3CC3)n2)c1 ZINC001109244202 805182296 /nfs/dbraw/zinc/18/22/96/805182296.db2.gz KGDRONDBOBAKPZ-AWEZNQCLSA-N 1 2 349.438 2.293 20 30 EEEDLO Cc1nc(NC[C@H]2CCCC[C@@H]2NC(=O)CSCC#N)cc[nH+]1 ZINC001109342696 805327784 /nfs/dbraw/zinc/32/77/84/805327784.db2.gz XSWOMHBLUFLTEK-KGLIPLIRSA-N 1 2 333.461 2.129 20 30 EEEDLO Cc1nsc(NCCCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c1C#N ZINC001109489974 805549033 /nfs/dbraw/zinc/54/90/33/805549033.db2.gz YJQGTQIJNBILMV-UHFFFAOYSA-N 1 2 346.460 2.285 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1O ZINC001112753796 807147663 /nfs/dbraw/zinc/14/76/63/807147663.db2.gz YJWUSTQLBWLNDE-LSDHHAIUSA-N 1 2 346.475 2.034 20 30 EEEDLO CS[C@@H](C)CC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001112771118 807191470 /nfs/dbraw/zinc/19/14/70/807191470.db2.gz JYXQWQXAMHEUPA-HNNXBMFYSA-N 1 2 347.484 2.375 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001113256479 808578059 /nfs/dbraw/zinc/57/80/59/808578059.db2.gz SNQIIUANLLLUEX-NWDGAFQWSA-N 1 2 334.468 2.153 20 30 EEEDLO C=CCC1(C(=O)N[C@@H](C)[C@H](C)Nc2nc(N(C)C)nc(C)[nH+]2)CCC1 ZINC001113281303 808612238 /nfs/dbraw/zinc/61/22/38/808612238.db2.gz QNGJFFBGIDDLQG-STQMWFEESA-N 1 2 346.479 2.298 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2C)CC1 ZINC001113283397 808618419 /nfs/dbraw/zinc/61/84/19/808618419.db2.gz JKLYCQACZIMFGN-GOSISDBHSA-N 1 2 346.471 2.235 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[NH+](CCOCc3ccccc3)CC2)c1 ZINC001113331218 808742738 /nfs/dbraw/zinc/74/27/38/808742738.db2.gz NINAMCLNANNVPF-UHFFFAOYSA-N 1 2 349.434 2.038 20 30 EEEDLO Cc1nc(N(C)[C@H](C)CNC(=O)c2cccc3[nH+]ccn32)ccc1C#N ZINC001113778953 809746310 /nfs/dbraw/zinc/74/63/10/809746310.db2.gz SIEDJFAGJCLRGY-CYBMUJFWSA-N 1 2 348.410 2.164 20 30 EEEDLO C#CCOc1ccc(C(=O)NC[C@H](C)N(C)c2cc[nH+]c(C)n2)cc1 ZINC001113917491 810070194 /nfs/dbraw/zinc/07/01/94/810070194.db2.gz VJKDARDDTZRQEJ-AWEZNQCLSA-N 1 2 338.411 2.052 20 30 EEEDLO CCCC[C@@H](CNc1ccc(C#N)nc1)NC(=O)Cc1c[nH+]cn1C ZINC001114267729 810741808 /nfs/dbraw/zinc/74/18/08/810741808.db2.gz WBXBZWJDSQTJQC-INIZCTEOSA-N 1 2 340.431 2.016 20 30 EEEDLO C[C@@H](NC(=O)c1ccc(C#N)o1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000794345614 810782306 /nfs/dbraw/zinc/78/23/06/810782306.db2.gz FNGVVCZGOBKGAU-RDTXWAMCSA-N 1 2 339.395 2.171 20 30 EEEDLO C[C@@H](NC(=O)c1ccc(C#N)o1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000794345614 810782310 /nfs/dbraw/zinc/78/23/10/810782310.db2.gz FNGVVCZGOBKGAU-RDTXWAMCSA-N 1 2 339.395 2.171 20 30 EEEDLO C=C(CNC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C)c1ccccc1 ZINC000807488532 812245302 /nfs/dbraw/zinc/24/53/02/812245302.db2.gz GMSCLEPGYUARSZ-UHFFFAOYSA-N 1 2 338.411 2.224 20 30 EEEDLO Cn1cc([C@H]2N(C[N@H+](C)Cc3cccc(C#N)c3)C(=O)C2(C)C)cn1 ZINC000808140048 812473428 /nfs/dbraw/zinc/47/34/28/812473428.db2.gz WYGXQOHGVQQFDN-QGZVFWFLSA-N 1 2 337.427 2.291 20 30 EEEDLO Cn1cc([C@H]2N(C[N@@H+](C)Cc3cccc(C#N)c3)C(=O)C2(C)C)cn1 ZINC000808140048 812473433 /nfs/dbraw/zinc/47/34/33/812473433.db2.gz WYGXQOHGVQQFDN-QGZVFWFLSA-N 1 2 337.427 2.291 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cnn(-c2ccccn2)c1 ZINC001439380013 1092122136 /nfs/dbraw/zinc/12/21/36/1092122136.db2.gz PRURMODBSPSZHT-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cnn(-c2ccccn2)c1 ZINC001439380013 1092122140 /nfs/dbraw/zinc/12/21/40/1092122140.db2.gz PRURMODBSPSZHT-ZDUSSCGKSA-N 1 2 333.823 2.070 20 30 EEEDLO CC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1nc(C)c2ccccc2n1 ZINC001442652182 1097020164 /nfs/dbraw/zinc/02/01/64/1097020164.db2.gz RJSZSEZWLKNMIP-ZDUSSCGKSA-N 1 2 325.416 2.036 20 30 EEEDLO CC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1nc(C)c2ccccc2n1 ZINC001442652182 1097020172 /nfs/dbraw/zinc/02/01/72/1097020172.db2.gz RJSZSEZWLKNMIP-ZDUSSCGKSA-N 1 2 325.416 2.036 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1c2c(nn1C)CCCC2)C1CC1 ZINC001442997000 1097416564 /nfs/dbraw/zinc/41/65/64/1097416564.db2.gz PJTRAZHDJKDXMX-UHFFFAOYSA-N 1 2 336.867 2.246 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)c1c2c(nn1C)CCCC2)C1CC1 ZINC001442997000 1097416567 /nfs/dbraw/zinc/41/65/67/1097416567.db2.gz PJTRAZHDJKDXMX-UHFFFAOYSA-N 1 2 336.867 2.246 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc2c(c1)N(C)CCO2)C1CC1 ZINC001443020154 1097429637 /nfs/dbraw/zinc/42/96/37/1097429637.db2.gz UFBYTDIPZGLPIW-UHFFFAOYSA-N 1 2 349.862 2.462 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc2c(c1)N(C)CCO2)C1CC1 ZINC001443020154 1097429641 /nfs/dbraw/zinc/42/96/41/1097429641.db2.gz UFBYTDIPZGLPIW-UHFFFAOYSA-N 1 2 349.862 2.462 20 30 EEEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)C[C@](C)(O)C1CC1 ZINC001496689628 1101288979 /nfs/dbraw/zinc/28/89/79/1101288979.db2.gz WAPSLGAUQHHTPM-IBGZPJMESA-N 1 2 347.434 2.139 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)C[C@](C)(O)C1CC1 ZINC001496689628 1101288985 /nfs/dbraw/zinc/28/89/85/1101288985.db2.gz WAPSLGAUQHHTPM-IBGZPJMESA-N 1 2 347.434 2.139 20 30 EEEDLO COC1(CC(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)CCC1 ZINC001496693031 1101292156 /nfs/dbraw/zinc/29/21/56/1101292156.db2.gz PBTXDWWRLZRGBI-UHFFFAOYSA-N 1 2 329.444 2.408 20 30 EEEDLO COC1(CC(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)CCC1 ZINC001496693031 1101292158 /nfs/dbraw/zinc/29/21/58/1101292158.db2.gz PBTXDWWRLZRGBI-UHFFFAOYSA-N 1 2 329.444 2.408 20 30 EEEDLO C[C@H](C#N)C(=O)NCC1(O)C[NH+](Cc2ccc(C3CCCC3)cc2)C1 ZINC001446833037 1101496848 /nfs/dbraw/zinc/49/68/48/1101496848.db2.gz SHKARAFLAVTNNX-OAHLLOKOSA-N 1 2 341.455 2.167 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1c(CC)nn(C)c1Cl ZINC001448105818 1104018077 /nfs/dbraw/zinc/01/80/77/1104018077.db2.gz BRELTKLFYLRKOQ-SNVBAGLBSA-N 1 2 333.263 2.439 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1c(CC)nn(C)c1Cl ZINC001448105818 1104018088 /nfs/dbraw/zinc/01/80/88/1104018088.db2.gz BRELTKLFYLRKOQ-SNVBAGLBSA-N 1 2 333.263 2.439 20 30 EEEDLO COCC1(C(=O)NCC[N@H+](Cc2ccccc2C#N)C2CC2)CCC1 ZINC001493389924 1108052156 /nfs/dbraw/zinc/05/21/56/1108052156.db2.gz BQKLJVOHSKRCEK-UHFFFAOYSA-N 1 2 341.455 2.456 20 30 EEEDLO COCC1(C(=O)NCC[N@@H+](Cc2ccccc2C#N)C2CC2)CCC1 ZINC001493389924 1108052165 /nfs/dbraw/zinc/05/21/65/1108052165.db2.gz BQKLJVOHSKRCEK-UHFFFAOYSA-N 1 2 341.455 2.456 20 30 EEEDLO N#CCCN(C(=O)CCc1[nH]cc[nH+]1)c1ccc2c(c1)OCCO2 ZINC001464808160 1110403817 /nfs/dbraw/zinc/40/38/17/1110403817.db2.gz QQQUDMFLRLRCKN-UHFFFAOYSA-N 1 2 326.356 2.060 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001520252084 1119140220 /nfs/dbraw/zinc/14/02/20/1119140220.db2.gz HCRPXUZDPUDMDD-XHSDSOJGSA-N 1 2 345.491 2.338 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001520252084 1119140223 /nfs/dbraw/zinc/14/02/23/1119140223.db2.gz HCRPXUZDPUDMDD-XHSDSOJGSA-N 1 2 345.491 2.338 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(Cl)c(F)c1 ZINC000131601477 237205112 /nfs/dbraw/zinc/20/51/12/237205112.db2.gz NQZDTAKVKFVAQJ-UHFFFAOYSA-N 1 2 339.798 2.167 20 30 EEEDLO NC(COc1ccccc1F)=[NH+]OCC1CCC2(CC1)OCCO2 ZINC000192190846 237297884 /nfs/dbraw/zinc/29/78/84/237297884.db2.gz UDXOTFACSNRQOM-UHFFFAOYSA-N 1 2 338.379 2.427 20 30 EEEDLO C=CC[NH+](CC=C)CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1 ZINC000072938875 216329725 /nfs/dbraw/zinc/32/97/25/216329725.db2.gz KLAUNAPXGKSRIA-UHFFFAOYSA-N 1 2 340.431 2.200 20 30 EEEDLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000191937470 239392735 /nfs/dbraw/zinc/39/27/35/239392735.db2.gz UZPKKLJSCGRAIH-AWEZNQCLSA-N 1 2 337.431 2.153 20 30 EEEDLO C[C@@H](c1nnnn1C1CC1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000191937470 239392742 /nfs/dbraw/zinc/39/27/42/239392742.db2.gz UZPKKLJSCGRAIH-AWEZNQCLSA-N 1 2 337.431 2.153 20 30 EEEDLO C=CCCn1cc(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)nn1 ZINC000424669498 241005532 /nfs/dbraw/zinc/00/55/32/241005532.db2.gz SOHLDCCWIVQNNN-OAHLLOKOSA-N 1 2 349.385 2.165 20 30 EEEDLO C#CCn1ccc(CN(CCOC)Cc2c(C)[nH+]c3ccccn32)n1 ZINC000491666819 246104418 /nfs/dbraw/zinc/10/44/18/246104418.db2.gz XIMUVELMUBESBD-UHFFFAOYSA-N 1 2 337.427 2.121 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(CCOCC)[C@H](CC)C1 ZINC000264278252 246280393 /nfs/dbraw/zinc/28/03/93/246280393.db2.gz FMZGDNLLGMHOHK-ZWKOTPCHSA-N 1 2 337.508 2.008 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(CCOCC)[C@H](CC)C1 ZINC000264278252 246280399 /nfs/dbraw/zinc/28/03/99/246280399.db2.gz FMZGDNLLGMHOHK-ZWKOTPCHSA-N 1 2 337.508 2.008 20 30 EEEDLO C=CCNc1ncc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000095435668 218378431 /nfs/dbraw/zinc/37/84/31/218378431.db2.gz NATNYQYRSWIFTR-LBPRGKRZSA-N 1 2 329.429 2.145 20 30 EEEDLO C#C[C@H](C)[N@H+](C)Cn1c2cc(F)c(Br)cc2oc1=O ZINC000491792375 533286165 /nfs/dbraw/zinc/28/61/65/533286165.db2.gz FNAUBLRMBMVTKQ-QMMMGPOBSA-N 1 2 327.153 2.407 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)Cn1c2cc(F)c(Br)cc2oc1=O ZINC000491792375 533286168 /nfs/dbraw/zinc/28/61/68/533286168.db2.gz FNAUBLRMBMVTKQ-QMMMGPOBSA-N 1 2 327.153 2.407 20 30 EEEDLO COC(=O)c1cc(C[N@H+](C)CC(=O)Nc2cccc(C#N)c2)oc1C ZINC000073105223 159049368 /nfs/dbraw/zinc/04/93/68/159049368.db2.gz SXWLTVOKKXDSIN-UHFFFAOYSA-N 1 2 341.367 2.317 20 30 EEEDLO COC(=O)c1cc(C[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)oc1C ZINC000073105223 159049369 /nfs/dbraw/zinc/04/93/69/159049369.db2.gz SXWLTVOKKXDSIN-UHFFFAOYSA-N 1 2 341.367 2.317 20 30 EEEDLO C[C@H]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000247368454 160321862 /nfs/dbraw/zinc/32/18/62/160321862.db2.gz HPDHRBIKGXECGI-WMLDXEAASA-N 1 2 344.440 2.168 20 30 EEEDLO C[NH+](C)[C@H](CNC(=O)c1cnccc1C#N)c1c(F)cccc1F ZINC000342617330 161078304 /nfs/dbraw/zinc/07/83/04/161078304.db2.gz KNVFNCQDGHIWDN-OAHLLOKOSA-N 1 2 330.338 2.264 20 30 EEEDLO Cn1cc[nH+]c1CNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000343290079 161120687 /nfs/dbraw/zinc/12/06/87/161120687.db2.gz VXOQQNZLNLQNQI-UHFFFAOYSA-N 1 2 336.351 2.394 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000343756286 161165158 /nfs/dbraw/zinc/16/51/58/161165158.db2.gz MMXOYEGLWGWEJN-SNVBAGLBSA-N 1 2 349.316 2.335 20 30 EEEDLO N#Cc1cccc(F)c1CC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000349861002 161641258 /nfs/dbraw/zinc/64/12/58/161641258.db2.gz MAANGNSMXHXZLD-UHFFFAOYSA-N 1 2 338.386 2.420 20 30 EEEDLO N#Cc1cccc(NCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000352131436 162079022 /nfs/dbraw/zinc/07/90/22/162079022.db2.gz QZNYPIYGBQNYLB-UHFFFAOYSA-N 1 2 340.452 2.376 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000352692365 162249037 /nfs/dbraw/zinc/24/90/37/162249037.db2.gz FSBGWYKAOURGMV-UHFFFAOYSA-N 1 2 341.346 2.323 20 30 EEEDLO N#Cc1cc(F)c(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c(F)c1 ZINC000376534210 167346398 /nfs/dbraw/zinc/34/63/98/167346398.db2.gz DZEAXQFVLMJNRB-HZPDHXFCSA-N 1 2 349.381 2.210 20 30 EEEDLO Cn1c2cc(F)ccc2[nH+]c1N1CCN(c2ccc(C#N)cn2)CC1 ZINC000431032222 269932797 /nfs/dbraw/zinc/93/27/97/269932797.db2.gz BCBQUBFRMHRWOT-UHFFFAOYSA-N 1 2 336.374 2.306 20 30 EEEDLO CCOc1cc(C#N)cc(Cl)c1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414144561 270019606 /nfs/dbraw/zinc/01/96/06/270019606.db2.gz ORPSWJIWSPBWKY-CYBMUJFWSA-N 1 2 337.807 2.196 20 30 EEEDLO CCOc1cc(C#N)cc(Cl)c1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414144561 270019607 /nfs/dbraw/zinc/01/96/07/270019607.db2.gz ORPSWJIWSPBWKY-CYBMUJFWSA-N 1 2 337.807 2.196 20 30 EEEDLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000533759336 270022612 /nfs/dbraw/zinc/02/26/12/270022612.db2.gz YKZUUDLWMLKNBA-CQSZACIVSA-N 1 2 330.384 2.120 20 30 EEEDLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000533759336 270022613 /nfs/dbraw/zinc/02/26/13/270022613.db2.gz YKZUUDLWMLKNBA-CQSZACIVSA-N 1 2 330.384 2.120 20 30 EEEDLO COC(=O)c1cccc(CSc2[nH+]cnc3c2cnn3C)c1C#N ZINC000533716261 270022758 /nfs/dbraw/zinc/02/27/58/270022758.db2.gz IMDCELGWEFDWAY-UHFFFAOYSA-N 1 2 339.380 2.314 20 30 EEEDLO Cc1ccn2cc(CNS(=O)(=O)c3ccc(C#N)c(F)c3)[nH+]c2c1 ZINC000489111657 268062292 /nfs/dbraw/zinc/06/22/92/268062292.db2.gz VSWBYOXLTIUCCL-UHFFFAOYSA-N 1 2 344.371 2.132 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000285522151 268266422 /nfs/dbraw/zinc/26/64/22/268266422.db2.gz KIFFQRURYVQLSM-HNNXBMFYSA-N 1 2 341.333 2.276 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000285522151 268266424 /nfs/dbraw/zinc/26/64/24/268266424.db2.gz KIFFQRURYVQLSM-HNNXBMFYSA-N 1 2 341.333 2.276 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)c(Cl)c1 ZINC000277668045 269169945 /nfs/dbraw/zinc/16/99/45/269169945.db2.gz FKLXQCDXGKSHLY-UHFFFAOYSA-N 1 2 346.862 2.346 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCSC3)CC2)cc1 ZINC000279565428 269288892 /nfs/dbraw/zinc/28/88/92/269288892.db2.gz NVGJSFICORGZQL-KRWDZBQOSA-N 1 2 344.484 2.139 20 30 EEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000371091581 280202596 /nfs/dbraw/zinc/20/25/96/280202596.db2.gz ZYNHMOKAFLJUES-SFHVURJKSA-N 1 2 348.406 2.108 20 30 EEEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000371091581 280202600 /nfs/dbraw/zinc/20/26/00/280202600.db2.gz ZYNHMOKAFLJUES-SFHVURJKSA-N 1 2 348.406 2.108 20 30 EEEDLO N#Cc1ccccc1OCc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000351028042 312359925 /nfs/dbraw/zinc/35/99/25/312359925.db2.gz SVUUBQBNACKOTI-GOEBONIOSA-N 1 2 340.383 2.446 20 30 EEEDLO N#Cc1ccccc1OCc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000351028042 312359927 /nfs/dbraw/zinc/35/99/27/312359927.db2.gz SVUUBQBNACKOTI-GOEBONIOSA-N 1 2 340.383 2.446 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCSC[C@@H]2C2CC2)cc1 ZINC000581866085 324330851 /nfs/dbraw/zinc/33/08/51/324330851.db2.gz CCCPRBQTXVKHAW-MRXNPFEDSA-N 1 2 336.482 2.159 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCSC[C@@H]2C2CC2)cc1 ZINC000581866085 324330856 /nfs/dbraw/zinc/33/08/56/324330856.db2.gz CCCPRBQTXVKHAW-MRXNPFEDSA-N 1 2 336.482 2.159 20 30 EEEDLO C=CC[N@@H+](Cc1cc(OC)c(OC)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000092361427 462947541 /nfs/dbraw/zinc/94/75/41/462947541.db2.gz NWWDOWGHBUJPME-HNNXBMFYSA-N 1 2 339.457 2.187 20 30 EEEDLO C=CC[N@H+](Cc1cc(OC)c(OC)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000092361427 462947546 /nfs/dbraw/zinc/94/75/46/462947546.db2.gz NWWDOWGHBUJPME-HNNXBMFYSA-N 1 2 339.457 2.187 20 30 EEEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)N[C@@]1(C#N)CCOC1 ZINC000358450179 465130508 /nfs/dbraw/zinc/13/05/08/465130508.db2.gz QHTRTCGPTZLHEW-GOSISDBHSA-N 1 2 326.400 2.178 20 30 EEEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3ccc4c(c3)OCCO4)C2)n1 ZINC000328943782 465176246 /nfs/dbraw/zinc/17/62/46/465176246.db2.gz AMQQHJUAIPFUEN-LBPRGKRZSA-N 1 2 344.371 2.227 20 30 EEEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3ccc4c(c3)OCCO4)C2)n1 ZINC000328943782 465176252 /nfs/dbraw/zinc/17/62/52/465176252.db2.gz AMQQHJUAIPFUEN-LBPRGKRZSA-N 1 2 344.371 2.227 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1C#N ZINC000351505638 465190875 /nfs/dbraw/zinc/19/08/75/465190875.db2.gz OWEDHOIGYAPBHR-RYUDHWBXSA-N 1 2 348.472 2.231 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc1C#N ZINC000351505638 465190878 /nfs/dbraw/zinc/19/08/78/465190878.db2.gz OWEDHOIGYAPBHR-RYUDHWBXSA-N 1 2 348.472 2.231 20 30 EEEDLO Cc1cn2cc(NC(=O)N3CC[C@H](c4nc(C)no4)C3)ccc2[nH+]1 ZINC000328986094 465193432 /nfs/dbraw/zinc/19/34/32/465193432.db2.gz ZVTYXBJINHLHSS-LBPRGKRZSA-N 1 2 326.360 2.369 20 30 EEEDLO Cc1cc(N2CCN(C(=O)NCC(C)(C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC000358614201 465223305 /nfs/dbraw/zinc/22/33/05/465223305.db2.gz CTQMDSUGWJFGNL-UHFFFAOYSA-N 1 2 344.463 2.290 20 30 EEEDLO COCC1(C#N)CCN(C(=O)NCc2[nH+]ccn2CC(C)C)CC1 ZINC000341545213 465225872 /nfs/dbraw/zinc/22/58/72/465225872.db2.gz FBLYFLLWHXTDLV-UHFFFAOYSA-N 1 2 333.436 2.001 20 30 EEEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000297721376 465267849 /nfs/dbraw/zinc/26/78/49/465267849.db2.gz BLBWDDLFTJUXMC-QGZVFWFLSA-N 1 2 328.391 2.353 20 30 EEEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000297721376 465267857 /nfs/dbraw/zinc/26/78/57/465267857.db2.gz BLBWDDLFTJUXMC-QGZVFWFLSA-N 1 2 328.391 2.353 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(SC)cc2)C1=O ZINC000337283075 465285097 /nfs/dbraw/zinc/28/50/97/465285097.db2.gz XTHGBSGAWRVLQQ-HNNXBMFYSA-N 1 2 333.457 2.066 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(SC)cc2)C1=O ZINC000337283075 465285100 /nfs/dbraw/zinc/28/51/00/465285100.db2.gz XTHGBSGAWRVLQQ-HNNXBMFYSA-N 1 2 333.457 2.066 20 30 EEEDLO C=CCCC1(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CC1 ZINC000356055094 465288787 /nfs/dbraw/zinc/28/87/87/465288787.db2.gz GQWQBFQKQLZQMH-GJZGRUSLSA-N 1 2 334.439 2.195 20 30 EEEDLO CCn1nccc1C1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329592109 465380364 /nfs/dbraw/zinc/38/03/64/465380364.db2.gz BWWFPQXAIZQHFP-AWEZNQCLSA-N 1 2 342.447 2.277 20 30 EEEDLO CCn1nccc1C1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329592109 465380371 /nfs/dbraw/zinc/38/03/71/465380371.db2.gz BWWFPQXAIZQHFP-AWEZNQCLSA-N 1 2 342.447 2.277 20 30 EEEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000088757955 462643755 /nfs/dbraw/zinc/64/37/55/462643755.db2.gz DTQQSTAXASZYGZ-CQSZACIVSA-N 1 2 346.862 2.345 20 30 EEEDLO C=C(C)COCCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000128818599 462672746 /nfs/dbraw/zinc/67/27/46/462672746.db2.gz XWKKEWSWQCEELG-UHFFFAOYSA-N 1 2 332.379 2.403 20 30 EEEDLO C#CCNC(=O)C1CC[NH+](Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000491203187 468322243 /nfs/dbraw/zinc/32/22/43/468322243.db2.gz TZEUDTJBPHJJPD-UHFFFAOYSA-N 1 2 326.227 2.350 20 30 EEEDLO COCC[N@H+](CCC#N)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000093100250 463008442 /nfs/dbraw/zinc/00/84/42/463008442.db2.gz XQMGEIVTFVQGNJ-UHFFFAOYSA-N 1 2 342.399 2.210 20 30 EEEDLO COCC[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000093100250 463008447 /nfs/dbraw/zinc/00/84/47/463008447.db2.gz XQMGEIVTFVQGNJ-UHFFFAOYSA-N 1 2 342.399 2.210 20 30 EEEDLO C=CC[NH+](CC=C)CC(=O)NCC(=O)Nc1cccc(Cl)c1C ZINC000078636154 463136298 /nfs/dbraw/zinc/13/62/98/463136298.db2.gz NVLNQSWJFMFLSK-UHFFFAOYSA-N 1 2 335.835 2.377 20 30 EEEDLO Cc1ccc(OC[C@H](O)C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000158567355 463242100 /nfs/dbraw/zinc/24/21/00/463242100.db2.gz OZKJHUACVGFPAH-QGZVFWFLSA-N 1 2 338.407 2.370 20 30 EEEDLO COc1cc(C[NH+]2CCN(C(=O)C3(C#N)CCC3)CC2)cc(OC)c1 ZINC000081009099 463381400 /nfs/dbraw/zinc/38/14/00/463381400.db2.gz AIUXBOROOBLGBG-UHFFFAOYSA-N 1 2 343.427 2.042 20 30 EEEDLO CC(C)[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CCS1 ZINC000081517188 463452173 /nfs/dbraw/zinc/45/21/73/463452173.db2.gz BCBPVLLXGVBSGN-INIZCTEOSA-N 1 2 338.498 2.405 20 30 EEEDLO CC(C)[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CCS1 ZINC000081517188 463452176 /nfs/dbraw/zinc/45/21/76/463452176.db2.gz BCBPVLLXGVBSGN-INIZCTEOSA-N 1 2 338.498 2.405 20 30 EEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000057595499 463501951 /nfs/dbraw/zinc/50/19/51/463501951.db2.gz TYZWSKDBPNNWMC-ZDUSSCGKSA-N 1 2 330.457 2.109 20 30 EEEDLO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)Nc1ccc(C#N)cc1)C2 ZINC000106373201 463512546 /nfs/dbraw/zinc/51/25/46/463512546.db2.gz HQEWFSZHFACZGF-UHFFFAOYSA-N 1 2 337.427 2.412 20 30 EEEDLO CC(C)(CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000162518504 463516654 /nfs/dbraw/zinc/51/66/54/463516654.db2.gz GMKSJHZSENKRND-UHFFFAOYSA-N 1 2 343.471 2.429 20 30 EEEDLO N#Cc1cccc(NC(=O)CCN2CC[NH+](Cc3ccco3)CC2)c1 ZINC000041896107 463518926 /nfs/dbraw/zinc/51/89/26/463518926.db2.gz PFVCXKWARTZRHO-UHFFFAOYSA-N 1 2 338.411 2.298 20 30 EEEDLO C=CCC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)C(=O)OCC ZINC000590882542 468364994 /nfs/dbraw/zinc/36/49/94/468364994.db2.gz BTVOULDDBVJWPC-SJORKVTESA-N 1 2 345.443 2.060 20 30 EEEDLO C=CCC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)C(=O)OCC ZINC000590882542 468364998 /nfs/dbraw/zinc/36/49/98/468364998.db2.gz BTVOULDDBVJWPC-SJORKVTESA-N 1 2 345.443 2.060 20 30 EEEDLO CCN(CCC#N)C(=O)CN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000165796914 463648028 /nfs/dbraw/zinc/64/80/28/463648028.db2.gz VXCDBUNMAFGIGC-UHFFFAOYSA-N 1 2 348.878 2.220 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000165796914 463648034 /nfs/dbraw/zinc/64/80/34/463648034.db2.gz VXCDBUNMAFGIGC-UHFFFAOYSA-N 1 2 348.878 2.220 20 30 EEEDLO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000073746809 463652363 /nfs/dbraw/zinc/65/23/63/463652363.db2.gz LNCPHQZWZULZGH-YJBOKZPZSA-N 1 2 342.443 2.125 20 30 EEEDLO C[C@@H]1CN(c2ccc(CNC(=O)C3(C#N)CCCC3)c[nH+]2)C[C@H](C)O1 ZINC000044536940 463682248 /nfs/dbraw/zinc/68/22/48/463682248.db2.gz KOLLNBDCMUIXDS-GASCZTMLSA-N 1 2 342.443 2.395 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2Cc2cccs2)CC1 ZINC000283095398 463761556 /nfs/dbraw/zinc/76/15/56/463761556.db2.gz VBTULVUTILUVHV-UHFFFAOYSA-N 1 2 327.457 2.021 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000276860287 463784641 /nfs/dbraw/zinc/78/46/41/463784641.db2.gz KFCYFCNDYRWUCN-GASCZTMLSA-N 1 2 336.457 2.249 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000276860287 463784650 /nfs/dbraw/zinc/78/46/50/463784650.db2.gz KFCYFCNDYRWUCN-GASCZTMLSA-N 1 2 336.457 2.249 20 30 EEEDLO C=CCSCCNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000172202421 464015792 /nfs/dbraw/zinc/01/57/92/464015792.db2.gz SKZIYQGRJAPEIL-OAHLLOKOSA-N 1 2 334.489 2.389 20 30 EEEDLO CCCCCCCS(=O)(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000195312820 464037772 /nfs/dbraw/zinc/03/77/72/464037772.db2.gz XWNIMTPJFPTDGN-MRXNPFEDSA-N 1 2 332.510 2.083 20 30 EEEDLO CC(C)OCc1nc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)no1 ZINC000289835166 464097950 /nfs/dbraw/zinc/09/79/50/464097950.db2.gz JWBKATANCIFOLL-IUODEOHRSA-N 1 2 330.388 2.250 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+](Cc2c(C)noc2C)CC1)OCC ZINC000270055093 464172176 /nfs/dbraw/zinc/17/21/76/464172176.db2.gz SINOMNUBABROIJ-QGZVFWFLSA-N 1 2 335.448 2.307 20 30 EEEDLO C[C@H]1C[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CCO1 ZINC000271229673 464289032 /nfs/dbraw/zinc/28/90/32/464289032.db2.gz SXMMVTVLCDNLOJ-STQMWFEESA-N 1 2 340.427 2.214 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000281122045 464338895 /nfs/dbraw/zinc/33/88/95/464338895.db2.gz WYEQFAMKECNGBJ-WMLDXEAASA-N 1 2 328.416 2.423 20 30 EEEDLO CCc1ccnc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000271648050 464352165 /nfs/dbraw/zinc/35/21/65/464352165.db2.gz ILNDIPBXEJSEJK-UHFFFAOYSA-N 1 2 334.423 2.474 20 30 EEEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCc3ncc(C)o3)cn2)n1 ZINC000174133993 464366488 /nfs/dbraw/zinc/36/64/88/464366488.db2.gz KHMDBUSUVMOGHR-UHFFFAOYSA-N 1 2 326.360 2.018 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)c2nc3ccccc3c(=O)[nH]2)C1=O ZINC000281235161 464381627 /nfs/dbraw/zinc/38/16/27/464381627.db2.gz FRLUAZDQEKVUBX-IUODEOHRSA-N 1 2 326.400 2.115 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2nc3ccccc3c(=O)[nH]2)C1=O ZINC000281235161 464381634 /nfs/dbraw/zinc/38/16/34/464381634.db2.gz FRLUAZDQEKVUBX-IUODEOHRSA-N 1 2 326.400 2.115 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2cc(C)ccc2C)C1=O ZINC000281251796 464386203 /nfs/dbraw/zinc/38/62/03/464386203.db2.gz GVLQPVOMRASMFQ-WBVHZDCISA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2cc(C)ccc2C)C1=O ZINC000281251796 464386207 /nfs/dbraw/zinc/38/62/07/464386207.db2.gz GVLQPVOMRASMFQ-WBVHZDCISA-N 1 2 329.444 2.349 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000294047929 464430957 /nfs/dbraw/zinc/43/09/57/464430957.db2.gz JEJCSMNIJHSYOX-JKSUJKDBSA-N 1 2 331.464 2.438 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000294252550 464446161 /nfs/dbraw/zinc/44/61/61/464446161.db2.gz CWYMMASHOSWFKX-IUODEOHRSA-N 1 2 331.803 2.317 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCCN(c3ccccc3F)C2=O)C1=O ZINC000281423969 464449896 /nfs/dbraw/zinc/44/98/96/464449896.db2.gz RWBJQKRCLDJPHB-DLBZAZTESA-N 1 2 345.418 2.040 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(c3ccccc3F)C2=O)C1=O ZINC000281423969 464449900 /nfs/dbraw/zinc/44/99/00/464449900.db2.gz RWBJQKRCLDJPHB-DLBZAZTESA-N 1 2 345.418 2.040 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2OCC)C1=O ZINC000281441058 464455853 /nfs/dbraw/zinc/45/58/53/464455853.db2.gz TYORBHRYVQEWEM-GOEBONIOSA-N 1 2 345.443 2.131 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccccc2OCC)C1=O ZINC000281441058 464455860 /nfs/dbraw/zinc/45/58/60/464455860.db2.gz TYORBHRYVQEWEM-GOEBONIOSA-N 1 2 345.443 2.131 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C1=O ZINC000281458118 464462873 /nfs/dbraw/zinc/46/28/73/464462873.db2.gz VCNRFQFYBAFXDI-SJLPKXTDSA-N 1 2 343.471 2.199 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C1=O ZINC000281458118 464462878 /nfs/dbraw/zinc/46/28/78/464462878.db2.gz VCNRFQFYBAFXDI-SJLPKXTDSA-N 1 2 343.471 2.199 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N(CC)c2ccccc2)C1=O ZINC000281493754 464477287 /nfs/dbraw/zinc/47/72/87/464477287.db2.gz XOHCANILPIDIEW-WBVHZDCISA-N 1 2 329.444 2.147 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N(CC)c2ccccc2)C1=O ZINC000281493754 464477292 /nfs/dbraw/zinc/47/72/92/464477292.db2.gz XOHCANILPIDIEW-WBVHZDCISA-N 1 2 329.444 2.147 20 30 EEEDLO CSCCC[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000281503735 464481523 /nfs/dbraw/zinc/48/15/23/464481523.db2.gz UMLPSQQNAJUKMF-CYBMUJFWSA-N 1 2 344.440 2.197 20 30 EEEDLO CSCCC[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000281503735 464481527 /nfs/dbraw/zinc/48/15/27/464481527.db2.gz UMLPSQQNAJUKMF-CYBMUJFWSA-N 1 2 344.440 2.197 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(F)c2)CCCCC1 ZINC000281579766 464510942 /nfs/dbraw/zinc/51/09/42/464510942.db2.gz DTYNYXDRKMAGQI-IAGOWNOFSA-N 1 2 345.418 2.276 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2c2cccc(F)c2)CCCCC1 ZINC000281579766 464510946 /nfs/dbraw/zinc/51/09/46/464510946.db2.gz DTYNYXDRKMAGQI-IAGOWNOFSA-N 1 2 345.418 2.276 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccnc(Cl)c1 ZINC000176370860 464758958 /nfs/dbraw/zinc/75/89/58/464758958.db2.gz XEDZNLDMTOSJRS-LBPRGKRZSA-N 1 2 328.807 2.107 20 30 EEEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccnc(Cl)c1 ZINC000176370860 464758966 /nfs/dbraw/zinc/75/89/66/464758966.db2.gz XEDZNLDMTOSJRS-LBPRGKRZSA-N 1 2 328.807 2.107 20 30 EEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000191080470 464773366 /nfs/dbraw/zinc/77/33/66/464773366.db2.gz AHBDASGFNAQMLI-UHFFFAOYSA-N 1 2 342.823 2.430 20 30 EEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000191080470 464773372 /nfs/dbraw/zinc/77/33/72/464773372.db2.gz AHBDASGFNAQMLI-UHFFFAOYSA-N 1 2 342.823 2.430 20 30 EEEDLO CC(C)(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1cc(F)cc(C#N)c1 ZINC000286212122 464841958 /nfs/dbraw/zinc/84/19/58/464841958.db2.gz BCMXRTFORBUANK-UHFFFAOYSA-N 1 2 347.434 2.202 20 30 EEEDLO CC(C)(C(=O)NCC[N@H+]1CCOC(C)(C)C1)c1cc(F)cc(C#N)c1 ZINC000286212122 464841962 /nfs/dbraw/zinc/84/19/62/464841962.db2.gz BCMXRTFORBUANK-UHFFFAOYSA-N 1 2 347.434 2.202 20 30 EEEDLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1C ZINC000249147661 464847638 /nfs/dbraw/zinc/84/76/38/464847638.db2.gz XCUVWUXOJCDWOW-ZKYQVNSYSA-N 1 2 347.415 2.226 20 30 EEEDLO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1C ZINC000249147661 464847646 /nfs/dbraw/zinc/84/76/46/464847646.db2.gz XCUVWUXOJCDWOW-ZKYQVNSYSA-N 1 2 347.415 2.226 20 30 EEEDLO CC(C)[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc(-c2nc[nH]n2)no1 ZINC000192184586 464882304 /nfs/dbraw/zinc/88/23/04/464882304.db2.gz XLLJTJBFKHEMNL-ZDUSSCGKSA-N 1 2 341.350 2.352 20 30 EEEDLO CC(C)(C)OC(=O)NCC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000176956157 464894391 /nfs/dbraw/zinc/89/43/91/464894391.db2.gz UMRUDLDHGQKNCK-UHFFFAOYSA-N 1 2 330.432 2.205 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000579871160 468426931 /nfs/dbraw/zinc/42/69/31/468426931.db2.gz JSCNBRHXTNHSEL-HZPDHXFCSA-N 1 2 329.400 2.375 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000579871160 468426937 /nfs/dbraw/zinc/42/69/37/468426937.db2.gz JSCNBRHXTNHSEL-HZPDHXFCSA-N 1 2 329.400 2.375 20 30 EEEDLO N#C[C@@]1(NC(=O)Cc2cn3ccccc3[nH+]2)CCc2ccccc2C1 ZINC000183980078 464933274 /nfs/dbraw/zinc/93/32/74/464933274.db2.gz UIKLIZJWJOFDGG-HXUWFJFHSA-N 1 2 330.391 2.444 20 30 EEEDLO C=CCOc1ccc(CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000286549090 464957827 /nfs/dbraw/zinc/95/78/27/464957827.db2.gz ALFIHFNNMFUEHL-UHFFFAOYSA-N 1 2 347.459 2.161 20 30 EEEDLO C=CCOc1ccc(CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1 ZINC000286549090 464957835 /nfs/dbraw/zinc/95/78/35/464957835.db2.gz ALFIHFNNMFUEHL-UHFFFAOYSA-N 1 2 347.459 2.161 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000184586107 465002533 /nfs/dbraw/zinc/00/25/33/465002533.db2.gz QEDLOTNCQUWLGJ-OAHLLOKOSA-N 1 2 336.505 2.246 20 30 EEEDLO COc1cccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1F ZINC000192939509 465018118 /nfs/dbraw/zinc/01/81/18/465018118.db2.gz XULWDBVANUXFLH-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000569062394 468429088 /nfs/dbraw/zinc/42/90/88/468429088.db2.gz ULOZGHUYBLFDAC-INIZCTEOSA-N 1 2 349.438 2.127 20 30 EEEDLO N#Cc1csc(CN2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)n1 ZINC000356357608 465335767 /nfs/dbraw/zinc/33/57/67/465335767.db2.gz YJBSCBOHVKJNJL-DLBZAZTESA-N 1 2 340.452 2.100 20 30 EEEDLO N#Cc1csc(CN2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)n1 ZINC000356357608 465335771 /nfs/dbraw/zinc/33/57/71/465335771.db2.gz YJBSCBOHVKJNJL-DLBZAZTESA-N 1 2 340.452 2.100 20 30 EEEDLO C=CCOCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000347970678 465343808 /nfs/dbraw/zinc/34/38/08/465343808.db2.gz WCOYHIFFIWPJKN-UHFFFAOYSA-N 1 2 339.417 2.007 20 30 EEEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000356482429 465410328 /nfs/dbraw/zinc/41/03/28/465410328.db2.gz UXAPPROCHFTSLP-CJNGLKHVSA-N 1 2 344.459 2.228 20 30 EEEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000356482429 465410332 /nfs/dbraw/zinc/41/03/32/465410332.db2.gz UXAPPROCHFTSLP-CJNGLKHVSA-N 1 2 344.459 2.228 20 30 EEEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000329880966 465461755 /nfs/dbraw/zinc/46/17/55/465461755.db2.gz AGXWVYJXMFCTMB-XJNFMUPTSA-N 1 2 344.459 2.297 20 30 EEEDLO [O-]C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329880966 465461758 /nfs/dbraw/zinc/46/17/58/465461758.db2.gz AGXWVYJXMFCTMB-XJNFMUPTSA-N 1 2 344.459 2.297 20 30 EEEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NCc1c[nH+]c2ccc(C)cn12 ZINC000359654576 465477821 /nfs/dbraw/zinc/47/78/21/465477821.db2.gz SPBLVIGATGKQNY-UHFFFAOYSA-N 1 2 343.394 3.016 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000352239273 465509445 /nfs/dbraw/zinc/50/94/45/465509445.db2.gz UMCYNRDSKJJUFF-ZFWWWQNUSA-N 1 2 332.448 2.046 20 30 EEEDLO COc1ccc(Cl)cc1N1C(=O)C[C@H]([NH+]2CCC(C#N)CC2)C1=O ZINC000352273260 465512130 /nfs/dbraw/zinc/51/21/30/465512130.db2.gz ZIQKYNFKCRZTIH-AWEZNQCLSA-N 1 2 347.802 2.216 20 30 EEEDLO C=CCn1c(-c2ccccc2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000337822395 465607744 /nfs/dbraw/zinc/60/77/44/465607744.db2.gz SREINKFGJKNGRK-QGZVFWFLSA-N 1 2 339.443 2.042 20 30 EEEDLO Cc1csc(CNC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)n1 ZINC000330329957 465615878 /nfs/dbraw/zinc/61/58/78/465615878.db2.gz MYRFDGVMXMGLBZ-YPMHNXCESA-N 1 2 335.433 2.109 20 30 EEEDLO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1c(F)cncc1F ZINC000353206544 465714956 /nfs/dbraw/zinc/71/49/56/465714956.db2.gz WNONWTXAWLCEHL-NSHDSACASA-N 1 2 330.338 2.198 20 30 EEEDLO C[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000330956718 465874509 /nfs/dbraw/zinc/87/45/09/465874509.db2.gz HSFNMSNACLLOQX-QWRGUYRKSA-N 1 2 340.355 2.169 20 30 EEEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCOC(C)(C)[C@H]2C)c(C)c1 ZINC000331051806 465913254 /nfs/dbraw/zinc/91/32/54/465913254.db2.gz MCLIJHFJCFXJDS-CQSZACIVSA-N 1 2 333.432 2.464 20 30 EEEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCOC(C)(C)[C@H]2C)c(C)c1 ZINC000331051806 465913259 /nfs/dbraw/zinc/91/32/59/465913259.db2.gz MCLIJHFJCFXJDS-CQSZACIVSA-N 1 2 333.432 2.464 20 30 EEEDLO C=CCOc1cccc(C[N@H+]2CCN(S(=O)(=O)CC)C[C@H]2C)c1 ZINC000349001737 465915877 /nfs/dbraw/zinc/91/58/77/465915877.db2.gz HRTALILIIVEGSD-OAHLLOKOSA-N 1 2 338.473 2.107 20 30 EEEDLO C=CCOc1cccc(C[N@@H+]2CCN(S(=O)(=O)CC)C[C@H]2C)c1 ZINC000349001737 465915885 /nfs/dbraw/zinc/91/58/85/465915885.db2.gz HRTALILIIVEGSD-OAHLLOKOSA-N 1 2 338.473 2.107 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@H+](CCC(=O)NC3CCCC3)CCO2)c1 ZINC000367075302 466112521 /nfs/dbraw/zinc/11/25/21/466112521.db2.gz IJQZWYLMFQIGAU-SFHVURJKSA-N 1 2 327.428 2.380 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCC(=O)NC3CCCC3)CCO2)c1 ZINC000367075302 466112525 /nfs/dbraw/zinc/11/25/25/466112525.db2.gz IJQZWYLMFQIGAU-SFHVURJKSA-N 1 2 327.428 2.380 20 30 EEEDLO N#CC1(CS(=O)(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000361809815 466308341 /nfs/dbraw/zinc/30/83/41/466308341.db2.gz UGSIEJGMFPMSFT-UHFFFAOYSA-N 1 2 336.461 2.009 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CCC[C@H]2C#N)CC1 ZINC000332304985 466499482 /nfs/dbraw/zinc/49/94/82/466499482.db2.gz QWHAEHPKAJFOSP-VYDXJSESSA-N 1 2 327.432 2.162 20 30 EEEDLO C[C@H]1CCCN(C(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000376595692 466921056 /nfs/dbraw/zinc/92/10/56/466921056.db2.gz QBRPJQKHQNKXMS-INIZCTEOSA-N 1 2 326.444 2.197 20 30 EEEDLO C[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000424969506 467084510 /nfs/dbraw/zinc/08/45/10/467084510.db2.gz BLPJHRVYKLOABU-YQQAZPJKSA-N 1 2 344.434 2.145 20 30 EEEDLO Cc1cc(NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)c(C#N)c[nH+]1 ZINC000425255595 467090873 /nfs/dbraw/zinc/09/08/73/467090873.db2.gz GIKTWWOWUTYEQV-GFCCVEGCSA-N 1 2 335.329 2.364 20 30 EEEDLO C[C@@H](Nc1cc(C(F)(F)F)cnc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000413131448 467175693 /nfs/dbraw/zinc/17/56/93/467175693.db2.gz ZOMHXKLGUXMHLX-MNOVXSKESA-N 1 2 328.338 2.493 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000429120669 467302684 /nfs/dbraw/zinc/30/26/84/467302684.db2.gz BNUMPZWLKQBOBS-GFCCVEGCSA-N 1 2 325.815 2.292 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000429120669 467302688 /nfs/dbraw/zinc/30/26/88/467302688.db2.gz BNUMPZWLKQBOBS-GFCCVEGCSA-N 1 2 325.815 2.292 20 30 EEEDLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(C#N)s3)[nH+]cn2)C1 ZINC000420652572 467442730 /nfs/dbraw/zinc/44/27/30/467442730.db2.gz MSROXNXWXAGQDI-NWDGAFQWSA-N 1 2 329.429 2.229 20 30 EEEDLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(C#N)s3)nc[nH+]2)C1 ZINC000420652572 467442736 /nfs/dbraw/zinc/44/27/36/467442736.db2.gz MSROXNXWXAGQDI-NWDGAFQWSA-N 1 2 329.429 2.229 20 30 EEEDLO COc1cc[nH+]cc1CNS(=O)(=O)c1cccc(Cl)c1C#N ZINC000431579924 467526650 /nfs/dbraw/zinc/52/66/50/467526650.db2.gz TVUQNJOWKPLTHW-UHFFFAOYSA-N 1 2 337.788 2.094 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C(C)(C)c1noc(C)n1 ZINC000440020426 467568943 /nfs/dbraw/zinc/56/89/43/467568943.db2.gz HDMVRKNYBRAGOT-HNNXBMFYSA-N 1 2 331.416 2.371 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000527297621 467657862 /nfs/dbraw/zinc/65/78/62/467657862.db2.gz YKBBOLIHCAUXMW-QAPCUYQASA-N 1 2 327.428 2.185 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000527297621 467657867 /nfs/dbraw/zinc/65/78/67/467657867.db2.gz YKBBOLIHCAUXMW-QAPCUYQASA-N 1 2 327.428 2.185 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CC2CC1(c1nc(C)no1)C2 ZINC000528631606 467716441 /nfs/dbraw/zinc/71/64/41/467716441.db2.gz RAVPYTXNXUQTGG-UHFFFAOYSA-N 1 2 340.383 2.258 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CC2CC1(c1nc(C)no1)C2 ZINC000528631606 467716446 /nfs/dbraw/zinc/71/64/46/467716446.db2.gz RAVPYTXNXUQTGG-UHFFFAOYSA-N 1 2 340.383 2.258 20 30 EEEDLO CC[C@H](C#N)Oc1cc(CNC(=O)C=Cc2c[nH]c[nH+]2)ccc1OC ZINC000492810804 467759681 /nfs/dbraw/zinc/75/96/81/467759681.db2.gz JBZXLDUWDUEYNY-KEDPEKRHSA-N 1 2 340.383 2.429 20 30 EEEDLO C[C@@H](Nc1ncc(Br)cc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000450311505 467823857 /nfs/dbraw/zinc/82/38/57/467823857.db2.gz HWAFDKKUJFEYIQ-GHMZBOCLSA-N 1 2 339.237 2.237 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C\c1cc(Br)cs1 ZINC000493636909 467953755 /nfs/dbraw/zinc/95/37/55/467953755.db2.gz ZSKWKCKOLOTRIZ-ZFDPJTLLSA-N 1 2 342.262 2.484 20 30 EEEDLO Cc1cc(NCCCCN2CC[NH+](C)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000516011526 468010253 /nfs/dbraw/zinc/01/02/53/468010253.db2.gz NLECYLOICMRCRR-UHFFFAOYSA-N 1 2 331.420 2.214 20 30 EEEDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000494059123 468022653 /nfs/dbraw/zinc/02/26/53/468022653.db2.gz PGOTZRYZJAVIJF-CQSZACIVSA-N 1 2 345.399 2.055 20 30 EEEDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000494059123 468022655 /nfs/dbraw/zinc/02/26/55/468022655.db2.gz PGOTZRYZJAVIJF-CQSZACIVSA-N 1 2 345.399 2.055 20 30 EEEDLO C[C@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000532098064 468097014 /nfs/dbraw/zinc/09/70/14/468097014.db2.gz FATMFSHJQUPFLX-AWEZNQCLSA-N 1 2 328.391 2.401 20 30 EEEDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000532098064 468097015 /nfs/dbraw/zinc/09/70/15/468097015.db2.gz FATMFSHJQUPFLX-AWEZNQCLSA-N 1 2 328.391 2.401 20 30 EEEDLO C=CCCCS(=O)(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000489118066 468120513 /nfs/dbraw/zinc/12/05/13/468120513.db2.gz RPMWLEJGUDMPFT-MRXNPFEDSA-N 1 2 332.510 2.009 20 30 EEEDLO CC(C)c1nn(C)c2sc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc12 ZINC000566012989 468142109 /nfs/dbraw/zinc/14/21/09/468142109.db2.gz BDHDUXAIKMYWPE-INIZCTEOSA-N 1 2 333.461 2.332 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1cccc(OC(C)(C)C)n1 ZINC000567239085 468167122 /nfs/dbraw/zinc/16/71/22/468167122.db2.gz JFCBTTSAOTVEFI-SFHVURJKSA-N 1 2 332.448 2.152 20 30 EEEDLO Cc1cc(C#N)cnc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000551428614 468239021 /nfs/dbraw/zinc/23/90/21/468239021.db2.gz CHJBNSOZBVYSDD-ZIAGYGMSSA-N 1 2 325.372 2.238 20 30 EEEDLO Cc1cc(C#N)cnc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000551428614 468239027 /nfs/dbraw/zinc/23/90/27/468239027.db2.gz CHJBNSOZBVYSDD-ZIAGYGMSSA-N 1 2 325.372 2.238 20 30 EEEDLO C#CCN(CC#CC)C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000490722095 468241495 /nfs/dbraw/zinc/24/14/95/468241495.db2.gz ZZAIQVCSCGPJEK-UHFFFAOYSA-N 1 2 347.374 2.298 20 30 EEEDLO C#CC[N@@H+](Cc1cc(C)nc2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000490865305 468258392 /nfs/dbraw/zinc/25/83/92/468258392.db2.gz ALZFSCUMMJVXJS-MRXNPFEDSA-N 1 2 328.437 2.166 20 30 EEEDLO C#CC[N@H+](Cc1cc(C)nc2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000490865305 468258397 /nfs/dbraw/zinc/25/83/97/468258397.db2.gz ALZFSCUMMJVXJS-MRXNPFEDSA-N 1 2 328.437 2.166 20 30 EEEDLO Cc1ccc(Oc2ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc2)nn1 ZINC000591774413 468519668 /nfs/dbraw/zinc/51/96/68/468519668.db2.gz QIDHUKIMURCJKK-INIZCTEOSA-N 1 2 341.415 2.196 20 30 EEEDLO Cc1ccc(Oc2ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc2)nn1 ZINC000591774413 468519669 /nfs/dbraw/zinc/51/96/69/468519669.db2.gz QIDHUKIMURCJKK-INIZCTEOSA-N 1 2 341.415 2.196 20 30 EEEDLO Cc1nn(C)c(N2CC[NH+](CCc3c(F)cccc3F)CC2)c1C#N ZINC000592114854 468628485 /nfs/dbraw/zinc/62/84/85/468628485.db2.gz ZBXJFBYQMRVYAD-UHFFFAOYSA-N 1 2 345.397 2.243 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000592140207 468635300 /nfs/dbraw/zinc/63/53/00/468635300.db2.gz UZYGAXQBLFMZGA-QGZVFWFLSA-N 1 2 341.436 2.216 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000592140207 468635306 /nfs/dbraw/zinc/63/53/06/468635306.db2.gz UZYGAXQBLFMZGA-QGZVFWFLSA-N 1 2 341.436 2.216 20 30 EEEDLO CCOc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@@H](CC#N)C3)C2=O)cc1 ZINC000594659553 468646221 /nfs/dbraw/zinc/64/62/21/468646221.db2.gz DWONBCRULHTFGP-WMLDXEAASA-N 1 2 341.411 2.343 20 30 EEEDLO CCOc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@@H](CC#N)C3)C2=O)cc1 ZINC000594659553 468646224 /nfs/dbraw/zinc/64/62/24/468646224.db2.gz DWONBCRULHTFGP-WMLDXEAASA-N 1 2 341.411 2.343 20 30 EEEDLO COc1sc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1Br ZINC000592521966 468720061 /nfs/dbraw/zinc/72/00/61/468720061.db2.gz FRCSNZOVXPSMBR-LBPRGKRZSA-N 1 2 331.235 2.370 20 30 EEEDLO COc1sc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1Br ZINC000592521966 468720064 /nfs/dbraw/zinc/72/00/64/468720064.db2.gz FRCSNZOVXPSMBR-LBPRGKRZSA-N 1 2 331.235 2.370 20 30 EEEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000601336450 468831543 /nfs/dbraw/zinc/83/15/43/468831543.db2.gz AIVJKGFCSKKDSS-HNNXBMFYSA-N 1 2 348.403 2.228 20 30 EEEDLO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ncc[nH]1 ZINC000595400658 468838971 /nfs/dbraw/zinc/83/89/71/468838971.db2.gz YNQONAKKUALLNB-UHFFFAOYSA-N 1 2 329.429 2.292 20 30 EEEDLO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ncc[nH]1 ZINC000595400658 468838975 /nfs/dbraw/zinc/83/89/75/468838975.db2.gz YNQONAKKUALLNB-UHFFFAOYSA-N 1 2 329.429 2.292 20 30 EEEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1c(C)cc(F)cc1C#N ZINC000601428880 468868666 /nfs/dbraw/zinc/86/86/66/468868666.db2.gz NKNMZEVPPRDCPU-LLVKDONJSA-N 1 2 336.392 2.262 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1 ZINC000572374478 468925043 /nfs/dbraw/zinc/92/50/43/468925043.db2.gz UCZBRRRWVNWGHZ-UHFFFAOYSA-N 1 2 332.411 2.147 20 30 EEEDLO C=CCC(C)(C)C(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601646289 468949831 /nfs/dbraw/zinc/94/98/31/468949831.db2.gz ZMQPMGDEQLMCSX-UHFFFAOYSA-N 1 2 348.512 2.469 20 30 EEEDLO CCOc1cncc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)c1 ZINC000598673644 468954472 /nfs/dbraw/zinc/95/44/72/468954472.db2.gz ZZZDQCDAXNJIEN-UHFFFAOYSA-N 1 2 343.456 2.439 20 30 EEEDLO N#Cc1ccc(Cl)c(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000585817385 469046912 /nfs/dbraw/zinc/04/69/12/469046912.db2.gz JHHFZFHJZUIJPC-AWEZNQCLSA-N 1 2 333.819 2.148 20 30 EEEDLO COc1ccc(C[N@H+](CC2(CC#N)CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000602758841 469055770 /nfs/dbraw/zinc/05/57/70/469055770.db2.gz IKEFXDPWFXVRGX-INIZCTEOSA-N 1 2 348.468 2.378 20 30 EEEDLO COc1ccc(C[N@@H+](CC2(CC#N)CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000602758841 469055774 /nfs/dbraw/zinc/05/57/74/469055774.db2.gz IKEFXDPWFXVRGX-INIZCTEOSA-N 1 2 348.468 2.378 20 30 EEEDLO N#Cc1cc(Br)ccc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598946232 469061222 /nfs/dbraw/zinc/06/12/22/469061222.db2.gz GELKPPLTQDINCM-GFCCVEGCSA-N 1 2 345.200 2.262 20 30 EEEDLO CCC(C#N)(CC)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000599056660 469103187 /nfs/dbraw/zinc/10/31/87/469103187.db2.gz LQJJFOIJIYCRIA-UHFFFAOYSA-N 1 2 346.450 2.394 20 30 EEEDLO CCC(CC)(CO)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000573384043 469121407 /nfs/dbraw/zinc/12/14/07/469121407.db2.gz OFUWYBNEVMURKQ-UHFFFAOYSA-N 1 2 329.444 2.001 20 30 EEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000602866197 469129310 /nfs/dbraw/zinc/12/93/10/469129310.db2.gz ZBVDXBXOMSJXNV-GOEBONIOSA-N 1 2 343.427 2.403 20 30 EEEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1)c1ccc(Cl)cc1 ZINC000611173961 469180704 /nfs/dbraw/zinc/18/07/04/469180704.db2.gz AQSZXWHKGJXSKL-GJZGRUSLSA-N 1 2 348.878 2.437 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCc2[nH+]c[nH]c2C1 ZINC000599420545 469249530 /nfs/dbraw/zinc/24/95/30/469249530.db2.gz DUQCNJSZTFTTHH-JTQLQIEISA-N 1 2 341.440 2.217 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCc2[nH+]c[nH]c2C1 ZINC000599430566 469253317 /nfs/dbraw/zinc/25/33/17/469253317.db2.gz WKHIHQBXJXEAKF-CYBMUJFWSA-N 1 2 341.390 2.242 20 30 EEEDLO COC(=O)[C@@]1([NH2+]C[C@@H](O)COc2ccccc2C#N)CC[C@@H](C)CC1 ZINC000599466014 469267305 /nfs/dbraw/zinc/26/73/05/469267305.db2.gz XRSJHSHDMNYPMU-IDHHARJASA-N 1 2 346.427 2.009 20 30 EEEDLO N#Cc1ccc(NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)cc1 ZINC000596481880 469280369 /nfs/dbraw/zinc/28/03/69/469280369.db2.gz KBKZGKBOZATJMW-UHFFFAOYSA-N 1 2 328.416 2.134 20 30 EEEDLO COC(=O)c1ccc(F)c(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)c1 ZINC000611574267 469283464 /nfs/dbraw/zinc/28/34/64/469283464.db2.gz WGXIRSRPQNVXEC-QGZVFWFLSA-N 1 2 333.407 2.278 20 30 EEEDLO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612164866 469409258 /nfs/dbraw/zinc/40/92/58/469409258.db2.gz HMNGGDQKEYKFEO-SJLPKXTDSA-N 1 2 331.416 2.010 20 30 EEEDLO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612164866 469409263 /nfs/dbraw/zinc/40/92/63/469409263.db2.gz HMNGGDQKEYKFEO-SJLPKXTDSA-N 1 2 331.416 2.010 20 30 EEEDLO CN(C)c1cc(NC(=O)N2CC(CC#N)C2)[nH+]cc1Br ZINC000596930524 469412236 /nfs/dbraw/zinc/41/22/36/469412236.db2.gz KTWMAMNVXVTLDV-UHFFFAOYSA-N 1 2 338.209 2.287 20 30 EEEDLO C[C@@]1(C#N)CCC[N@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000616773452 469500013 /nfs/dbraw/zinc/50/00/13/469500013.db2.gz RIETWWCABGZTDV-KRWDZBQOSA-N 1 2 335.473 2.074 20 30 EEEDLO C[C@@]1(C#N)CCC[N@@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000616773452 469500017 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C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CCO1 ZINC000752076536 577765742 /nfs/dbraw/zinc/76/57/42/577765742.db2.gz XRSNUNMROCEAHY-NXHRZFHOSA-N 1 2 327.428 2.005 20 30 EEEDLO COc1ncnc(N)c1C=[NH+]Nc1ccc(OCC(F)(F)F)cc1 ZINC000747630030 577947166 /nfs/dbraw/zinc/94/71/66/577947166.db2.gz HRTIQCSFBRJLCJ-UHFFFAOYSA-N 1 2 341.293 2.455 20 30 EEEDLO N#CCCNC(=O)C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000749449150 577976539 /nfs/dbraw/zinc/97/65/39/577976539.db2.gz NCUSKIXSFYDUIE-KRWDZBQOSA-N 1 2 328.803 2.444 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CON=Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000749875754 577983203 /nfs/dbraw/zinc/98/32/03/577983203.db2.gz IKBOFQKWGGXPDE-UHFFFAOYSA-N 1 2 341.455 2.112 20 30 EEEDLO CC(C)S(=O)(=O)NN=C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000741461181 578119916 /nfs/dbraw/zinc/11/99/16/578119916.db2.gz XWAKTCFGPUOSRZ-UHFFFAOYSA-N 1 2 338.477 2.037 20 30 EEEDLO C[C@@H](NC(=O)c1cscn1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969398216 674945934 /nfs/dbraw/zinc/94/59/34/674945934.db2.gz 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1192236360 /nfs/dbraw/zinc/23/63/60/1192236360.db2.gz XNWSRDRSIYPTIK-HNAYVOBHSA-N 1 2 346.475 2.360 20 30 EEEDLO Cc1conc1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001032107910 1192569865 /nfs/dbraw/zinc/56/98/65/1192569865.db2.gz BKSKYKQMNXRLHQ-UHFFFAOYSA-N 1 2 343.814 2.350 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2oncc2C)[C@H](C)C1 ZINC000943814673 1192579931 /nfs/dbraw/zinc/57/99/31/1192579931.db2.gz IYFCWAHQIRBFQQ-ZYHUDNBSSA-N 1 2 342.237 2.332 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2oncc2C)[C@H](C)C1 ZINC000943814673 1192579933 /nfs/dbraw/zinc/57/99/33/1192579933.db2.gz IYFCWAHQIRBFQQ-ZYHUDNBSSA-N 1 2 342.237 2.332 20 30 EEEDLO CCCCCC#CC(=O)N1CC2(C1)C[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001271957151 1186707479 /nfs/dbraw/zinc/70/74/79/1186707479.db2.gz DIWFWLFBHYVRSB-UHFFFAOYSA-N 1 2 327.428 2.015 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC3CCCCCC3)C2)nn1 ZINC001098740069 1186941371 /nfs/dbraw/zinc/94/13/71/1186941371.db2.gz MNMMDVAKGWNAGH-SFHVURJKSA-N 1 2 343.475 2.135 20 30 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1188083700 /nfs/dbraw/zinc/08/37/00/1188083700.db2.gz GPQIEGQYXWUTBO-KGLIPLIRSA-N 1 2 349.866 2.022 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(N3CCCC3)n2)[C@H]1C ZINC001088675258 1188083706 /nfs/dbraw/zinc/08/37/06/1188083706.db2.gz GPQIEGQYXWUTBO-KGLIPLIRSA-N 1 2 349.866 2.022 20 30 EEEDLO CC(C)C#CC(=O)NCC[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC001126822476 1188460330 /nfs/dbraw/zinc/46/03/30/1188460330.db2.gz CISYJYVLXJZHOL-HNNXBMFYSA-N 1 2 340.427 2.087 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnc3)nc2)[C@H]1C ZINC001088782587 1188503421 /nfs/dbraw/zinc/50/34/21/1188503421.db2.gz ZJOREVLIUIEJQU-HIFRSBDPSA-N 1 2 345.834 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnc3)nc2)[C@H]1C ZINC001088782587 1188503422 /nfs/dbraw/zinc/50/34/22/1188503422.db2.gz ZJOREVLIUIEJQU-HIFRSBDPSA-N 1 2 345.834 2.212 20 30 EEEDLO C[C@]1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CC=CCC1 ZINC001083487907 1188511839 /nfs/dbraw/zinc/51/18/39/1188511839.db2.gz OJHBJAWNWPLHSR-RYRKJORJSA-N 1 2 345.468 2.027 20 30 EEEDLO C[C@]1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CC=CCC1 ZINC001083487907 1188511841 /nfs/dbraw/zinc/51/18/41/1188511841.db2.gz OJHBJAWNWPLHSR-RYRKJORJSA-N 1 2 345.468 2.027 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@@H+](Cc3nocc3C)C[C@H]21 ZINC001076500670 1188954846 /nfs/dbraw/zinc/95/48/46/1188954846.db2.gz KLLLWDKOWLJDCG-AZUAARDMSA-N 1 2 349.434 2.240 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]2C[N@H+](Cc3nocc3C)C[C@H]21 ZINC001076500670 1188954850 /nfs/dbraw/zinc/95/48/50/1188954850.db2.gz KLLLWDKOWLJDCG-AZUAARDMSA-N 1 2 349.434 2.240 20 30 EEEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3csc(C(C)C)n3)C2)OCC1=O ZINC001272895453 1193594560 /nfs/dbraw/zinc/59/45/60/1193594560.db2.gz FKMNNIDPGAARRI-QGZVFWFLSA-N 1 2 335.473 2.256 20 30 EEEDLO C=CCN1C[C@]2(CC[N@H+](Cc3csc(C(C)C)n3)C2)OCC1=O ZINC001272895453 1193594562 /nfs/dbraw/zinc/59/45/62/1193594562.db2.gz FKMNNIDPGAARRI-QGZVFWFLSA-N 1 2 335.473 2.256 20 30 EEEDLO C=C[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21)c1ccccc1 ZINC001076597797 1189028655 /nfs/dbraw/zinc/02/86/55/1189028655.db2.gz KAZIMEMORJVBNW-GBESFXJTSA-N 1 2 348.450 2.479 20 30 EEEDLO C=C[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21)c1ccccc1 ZINC001076597797 1189028657 /nfs/dbraw/zinc/02/86/57/1189028657.db2.gz KAZIMEMORJVBNW-GBESFXJTSA-N 1 2 348.450 2.479 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001076666038 1189090728 /nfs/dbraw/zinc/09/07/28/1189090728.db2.gz CMJSIVWCPPCOJI-ZDUSSCGKSA-N 1 2 332.448 2.040 20 30 EEEDLO Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C#N)n(C)c2)cn1 ZINC001272281238 1190738544 /nfs/dbraw/zinc/73/85/44/1190738544.db2.gz VJRPFTOULARZBC-HDICACEKSA-N 1 2 349.438 2.089 20 30 EEEDLO Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C#N)n(C)c2)cn1 ZINC001272281238 1190738545 /nfs/dbraw/zinc/73/85/45/1190738545.db2.gz VJRPFTOULARZBC-HDICACEKSA-N 1 2 349.438 2.089 20 30 EEEDLO C#CC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1nc2ccccc2[nH]1 ZINC001272345371 1190778181 /nfs/dbraw/zinc/77/81/81/1190778181.db2.gz AJWHDFAROYAWNO-IRXDYDNUSA-N 1 2 336.439 2.398 20 30 EEEDLO C#CC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1nc2ccccc2[nH]1 ZINC001272345371 1190778183 /nfs/dbraw/zinc/77/81/83/1190778183.db2.gz AJWHDFAROYAWNO-IRXDYDNUSA-N 1 2 336.439 2.398 20 30 EEEDLO COCC[N@H+](CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1cc(F)ccc1F ZINC001486427137 1193942009 /nfs/dbraw/zinc/94/20/09/1193942009.db2.gz JXQGHXXRGQFJLE-STQMWFEESA-N 1 2 339.386 2.250 20 30 EEEDLO COCC[N@@H+](CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1cc(F)ccc1F ZINC001486427137 1193942011 /nfs/dbraw/zinc/94/20/11/1193942011.db2.gz JXQGHXXRGQFJLE-STQMWFEESA-N 1 2 339.386 2.250 20 30 EEEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)C[C@H]2CCCO2)CC1 ZINC001005134744 1194495958 /nfs/dbraw/zinc/49/59/58/1194495958.db2.gz DKOWEOMHNFOUSC-CQSZACIVSA-N 1 2 345.281 2.387 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)O1 ZINC001033440751 1194571022 /nfs/dbraw/zinc/57/10/22/1194571022.db2.gz UWHDNIDRICSSOH-MZMPZRCHSA-N 1 2 345.418 2.298 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)O1 ZINC001033440751 1194571023 /nfs/dbraw/zinc/57/10/23/1194571023.db2.gz UWHDNIDRICSSOH-MZMPZRCHSA-N 1 2 345.418 2.298 20 30 EEEDLO Cc1conc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033568264 1194729712 /nfs/dbraw/zinc/72/97/12/1194729712.db2.gz VPXTUYZIPBVUOW-OAHLLOKOSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1conc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033568264 1194729714 /nfs/dbraw/zinc/72/97/14/1194729714.db2.gz VPXTUYZIPBVUOW-OAHLLOKOSA-N 1 2 342.374 2.340 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001033626414 1194970281 /nfs/dbraw/zinc/97/02/81/1194970281.db2.gz QPGSZLMZEXFAFC-HNNXBMFYSA-N 1 2 332.835 2.391 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001033626414 1194970285 /nfs/dbraw/zinc/97/02/85/1194970285.db2.gz QPGSZLMZEXFAFC-HNNXBMFYSA-N 1 2 332.835 2.391 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccnn2CC(F)F)C1 ZINC001033834860 1195351572 /nfs/dbraw/zinc/35/15/72/1195351572.db2.gz YLBGHEXULSGWMY-GFCCVEGCSA-N 1 2 346.809 2.437 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccnn2CC(F)F)C1 ZINC001033834860 1195351578 /nfs/dbraw/zinc/35/15/78/1195351578.db2.gz YLBGHEXULSGWMY-GFCCVEGCSA-N 1 2 346.809 2.437 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc3nnc(C)n3c2)C1 ZINC001034283863 1196048228 /nfs/dbraw/zinc/04/82/28/1196048228.db2.gz ZBOULFGRMBUVAQ-OAHLLOKOSA-N 1 2 347.850 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3nnc(C)n3c2)C1 ZINC001034283863 1196048232 /nfs/dbraw/zinc/04/82/32/1196048232.db2.gz ZBOULFGRMBUVAQ-OAHLLOKOSA-N 1 2 347.850 2.375 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC001034382958 1196165446 /nfs/dbraw/zinc/16/54/46/1196165446.db2.gz UYVREWBFCUDICH-HNNXBMFYSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC001034382958 1196165449 /nfs/dbraw/zinc/16/54/49/1196165449.db2.gz UYVREWBFCUDICH-HNNXBMFYSA-N 1 2 341.390 2.205 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc3nncn3c2)C1 ZINC001034443098 1196237195 /nfs/dbraw/zinc/23/71/95/1196237195.db2.gz WEESHIAMLUIKAK-AWEZNQCLSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc3nncn3c2)C1 ZINC001034443098 1196237197 /nfs/dbraw/zinc/23/71/97/1196237197.db2.gz WEESHIAMLUIKAK-AWEZNQCLSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001108132343 1196450182 /nfs/dbraw/zinc/45/01/82/1196450182.db2.gz FQQAAWJVSNABAL-YUELXQCFSA-N 1 2 330.432 2.170 20 30 EEEDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)cc(C#N)c1 ZINC001273236495 1197638966 /nfs/dbraw/zinc/63/89/66/1197638966.db2.gz HWJITBONAIKHBL-JBBXEZCESA-N 1 2 343.402 2.240 20 30 EEEDLO CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)cc(C#N)c1 ZINC001273236495 1197638968 /nfs/dbraw/zinc/63/89/68/1197638968.db2.gz HWJITBONAIKHBL-JBBXEZCESA-N 1 2 343.402 2.240 20 30 EEEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccnc(SC)n2)C1=O ZINC001273282661 1197949573 /nfs/dbraw/zinc/94/95/73/1197949573.db2.gz RRJLPCHVBBPZHD-QGZVFWFLSA-N 1 2 332.473 2.342 20 30 EEEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccnc(SC)n2)C1=O ZINC001273282661 1197949579 /nfs/dbraw/zinc/94/95/79/1197949579.db2.gz RRJLPCHVBBPZHD-QGZVFWFLSA-N 1 2 332.473 2.342 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(C)nc1Cl)C2 ZINC001273355783 1198283086 /nfs/dbraw/zinc/28/30/86/1198283086.db2.gz YXZJZPLHEPLKPK-SFHVURJKSA-N 1 2 349.862 2.280 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(C)nc1Cl)C2 ZINC001273355783 1198283090 /nfs/dbraw/zinc/28/30/90/1198283090.db2.gz YXZJZPLHEPLKPK-SFHVURJKSA-N 1 2 349.862 2.280 20 30 EEEDLO C=C(C)CN1CC2(C[NH+](C[C@H](C)OCc3ccccc3)C2)OCC1=O ZINC001273407415 1198618514 /nfs/dbraw/zinc/61/85/14/1198618514.db2.gz NYJPTISAHOIJRS-KRWDZBQOSA-N 1 2 344.455 2.081 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(Cl)cc1 ZINC001018229489 1224498430 /nfs/dbraw/zinc/49/84/30/1224498430.db2.gz IKFTXUKLZSSFRO-IYBDPMFKSA-N 1 2 332.831 2.417 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(Cl)cc1 ZINC001018229489 1224498438 /nfs/dbraw/zinc/49/84/38/1224498438.db2.gz IKFTXUKLZSSFRO-IYBDPMFKSA-N 1 2 332.831 2.417 20 30 EEEDLO COc1nccc(C[N@@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)n1 ZINC001132034068 1199218506 /nfs/dbraw/zinc/21/85/06/1199218506.db2.gz NPZRNRDPZWCSHV-CABCVRRESA-N 1 2 344.459 2.004 20 30 EEEDLO COc1nccc(C[N@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]2C)n1 ZINC001132034068 1199218510 /nfs/dbraw/zinc/21/85/10/1199218510.db2.gz NPZRNRDPZWCSHV-CABCVRRESA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1O ZINC001090518492 1199460368 /nfs/dbraw/zinc/46/03/68/1199460368.db2.gz SELKHEWOQPNFSH-FVQBIDKESA-N 1 2 346.475 2.176 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)NCC(C)C)C2)CC1 ZINC001132291381 1199544203 /nfs/dbraw/zinc/54/42/03/1199544203.db2.gz KIHXGSMGMHJQEP-AEFFLSMTSA-N 1 2 349.519 2.474 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)NCC(C)C)C2)CC1 ZINC001132291381 1199544212 /nfs/dbraw/zinc/54/42/12/1199544212.db2.gz KIHXGSMGMHJQEP-AEFFLSMTSA-N 1 2 349.519 2.474 20 30 EEEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C3CC3)s2)CC[C@H]1C ZINC001132448405 1199738604 /nfs/dbraw/zinc/73/86/04/1199738604.db2.gz JDAHRWDDJVAYGH-HIFRSBDPSA-N 1 2 347.484 2.253 20 30 EEEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cnc(C3CC3)s2)CC[C@H]1C ZINC001132448405 1199738609 /nfs/dbraw/zinc/73/86/09/1199738609.db2.gz JDAHRWDDJVAYGH-HIFRSBDPSA-N 1 2 347.484 2.253 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001018291318 1224572694 /nfs/dbraw/zinc/57/26/94/1224572694.db2.gz ILWSCMUYTTYTEN-LQKXBSAESA-N 1 2 330.378 2.377 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001018291318 1224572698 /nfs/dbraw/zinc/57/26/98/1224572698.db2.gz ILWSCMUYTTYTEN-LQKXBSAESA-N 1 2 330.378 2.377 20 30 EEEDLO Cc1cc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)nc(C)n1 ZINC000879591264 1201162171 /nfs/dbraw/zinc/16/21/71/1201162171.db2.gz SIORUYRXRHVDQY-UHFFFAOYSA-N 1 2 325.391 2.426 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000826605714 1204584220 /nfs/dbraw/zinc/58/42/20/1204584220.db2.gz SEJMFPCSKAGIHN-MJGOQNOKSA-N 1 2 346.471 2.293 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000826605714 1204584223 /nfs/dbraw/zinc/58/42/23/1204584223.db2.gz SEJMFPCSKAGIHN-MJGOQNOKSA-N 1 2 346.471 2.293 20 30 EEEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3nccc(C)c3Cl)C2)OCC1=O ZINC001274360930 1205008131 /nfs/dbraw/zinc/00/81/31/1205008131.db2.gz QNVJZMNZVOHFLY-KRWDZBQOSA-N 1 2 335.835 2.033 20 30 EEEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3nccc(C)c3Cl)C2)OCC1=O ZINC001274360930 1205008135 /nfs/dbraw/zinc/00/81/35/1205008135.db2.gz QNVJZMNZVOHFLY-KRWDZBQOSA-N 1 2 335.835 2.033 20 30 EEEDLO C=CCN1C(=O)COCC12C[NH+](Cc1ccc3sc(C)nc3c1)C2 ZINC001274423908 1205030247 /nfs/dbraw/zinc/03/02/47/1205030247.db2.gz CHZNXTVRBATNSG-UHFFFAOYSA-N 1 2 343.452 2.204 20 30 EEEDLO C#CCN1CCC2(CC[NH+](Cc3nc(Cl)ccc3F)CC2)C1=O ZINC001274496670 1205057357 /nfs/dbraw/zinc/05/73/57/1205057357.db2.gz FLIOBHNYKUJDSK-UHFFFAOYSA-N 1 2 335.810 2.322 20 30 EEEDLO CCCCN1C[C@]2(CC[N@H+](Cc3cc(F)ccc3C#N)C2)OCC1=O ZINC001274774597 1205159403 /nfs/dbraw/zinc/15/94/03/1205159403.db2.gz ULZHPIICRIXYSV-LJQANCHMSA-N 1 2 345.418 2.301 20 30 EEEDLO CCCCN1C[C@]2(CC[N@@H+](Cc3cc(F)ccc3C#N)C2)OCC1=O ZINC001274774597 1205159405 /nfs/dbraw/zinc/15/94/05/1205159405.db2.gz ULZHPIICRIXYSV-LJQANCHMSA-N 1 2 345.418 2.301 20 30 EEEDLO C=CCn1cc(C[NH+]2CC3(CN(C(=O)[C@H]4C=CCC=C4C)C3)C2)cn1 ZINC001275381042 1205330571 /nfs/dbraw/zinc/33/05/71/1205330571.db2.gz DXFWPSQRUPMAFY-SFHVURJKSA-N 1 2 338.455 2.236 20 30 EEEDLO CC(C)NC(=O)N1CCC12C[NH+](Cc1c[nH]c3ccc(C#N)cc13)C2 ZINC001275949252 1205599360 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345.834 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc4n[nH]nc43)C[C@H]21 ZINC001042071183 1231868899 /nfs/dbraw/zinc/86/88/99/1231868899.db2.gz AWKUGAKQWDEYNC-SWLSCSKDSA-N 1 2 345.834 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc4nn[nH]c43)C[C@H]21 ZINC001042071183 1231868902 /nfs/dbraw/zinc/86/89/02/1231868902.db2.gz AWKUGAKQWDEYNC-SWLSCSKDSA-N 1 2 345.834 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc4nn[nH]c43)C[C@H]21 ZINC001042071183 1231868904 /nfs/dbraw/zinc/86/89/04/1231868904.db2.gz AWKUGAKQWDEYNC-SWLSCSKDSA-N 1 2 345.834 2.247 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ncc(C)cn3)[C@H]2C1 ZINC001042184097 1231942956 /nfs/dbraw/zinc/94/29/56/1231942956.db2.gz UAMTVOKXZBBGJV-CVEARBPZSA-N 1 2 328.460 2.420 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ncc(C)cn3)[C@H]2C1 ZINC001042184097 1231942959 /nfs/dbraw/zinc/94/29/59/1231942959.db2.gz UAMTVOKXZBBGJV-CVEARBPZSA-N 1 2 328.460 2.420 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4nnc(CC)o4)[C@@H]3C2)C1 ZINC001042225812 1231968070 /nfs/dbraw/zinc/96/80/70/1231968070.db2.gz ZMBIFUONDFFIGH-LSDHHAIUSA-N 1 2 344.459 2.411 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@H+](Cc4nnc(CC)o4)[C@@H]3C2)C1 ZINC001042225812 1231968073 /nfs/dbraw/zinc/96/80/73/1231968073.db2.gz ZMBIFUONDFFIGH-LSDHHAIUSA-N 1 2 344.459 2.411 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccnc(OC)c1)C2 ZINC001096017227 1233629904 /nfs/dbraw/zinc/62/99/04/1233629904.db2.gz HNAPSYUBUCCUCV-ILXRZTDVSA-N 1 2 335.835 2.107 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccnc(OC)c1)C2 ZINC001096017227 1233629907 /nfs/dbraw/zinc/62/99/07/1233629907.db2.gz HNAPSYUBUCCUCV-ILXRZTDVSA-N 1 2 335.835 2.107 20 30 EEEDLO Cc1ccc(C(=O)/C=C\C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000900060296 1233992532 /nfs/dbraw/zinc/99/25/32/1233992532.db2.gz DOWKLOYPYWHHDG-CNZFZVQHSA-N 1 2 344.455 2.207 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccccc3)n2CC=C)CC1 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/nfs/dbraw/zinc/77/93/03/1234779303.db2.gz CLOQXUDTYIMFLE-YVEFUNNKSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cn3c(n2)CC[C@H](C)C3)C1 ZINC001046417227 1234779307 /nfs/dbraw/zinc/77/93/07/1234779307.db2.gz CLOQXUDTYIMFLE-YVEFUNNKSA-N 1 2 336.867 2.412 20 30 EEEDLO C[C@@]1(NC(=O)c2[nH]nc3c2CCC3)CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001046440928 1234807626 /nfs/dbraw/zinc/80/76/26/1234807626.db2.gz XVLMIMZYOSCEAZ-HXUWFJFHSA-N 1 2 349.438 2.164 20 30 EEEDLO C[C@@]1(NC(=O)c2[nH]nc3c2CCC3)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046440928 1234807631 /nfs/dbraw/zinc/80/76/31/1234807631.db2.gz XVLMIMZYOSCEAZ-HXUWFJFHSA-N 1 2 349.438 2.164 20 30 EEEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cnnn3CC)C2)CC1 ZINC001046595017 1234975591 /nfs/dbraw/zinc/97/55/91/1234975591.db2.gz UODKBLMPFDALKS-SFHVURJKSA-N 1 2 331.464 2.125 20 30 EEEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+](Cc3cnnn3CC)C2)CC1 ZINC001046595017 1234975592 /nfs/dbraw/zinc/97/55/92/1234975592.db2.gz UODKBLMPFDALKS-SFHVURJKSA-N 1 2 331.464 2.125 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cnn3cc(OC)ccc23)C1 ZINC001046705594 1235092038 /nfs/dbraw/zinc/09/20/38/1235092038.db2.gz BYFXFHCAMOIYBV-KRWDZBQOSA-N 1 2 348.834 2.290 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cnn3cc(OC)ccc23)C1 ZINC001046705594 1235092041 /nfs/dbraw/zinc/09/20/41/1235092041.db2.gz BYFXFHCAMOIYBV-KRWDZBQOSA-N 1 2 348.834 2.290 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001046973005 1235375429 /nfs/dbraw/zinc/37/54/29/1235375429.db2.gz JGBMZUYFHGNACX-WXHSDQCUSA-N 1 2 336.810 2.237 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001046973005 1235375426 /nfs/dbraw/zinc/37/54/26/1235375426.db2.gz JGBMZUYFHGNACX-WXHSDQCUSA-N 1 2 336.810 2.237 20 30 EEEDLO CN(C(=O)C1(C)CCCC1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047477055 1236077755 /nfs/dbraw/zinc/07/77/55/1236077755.db2.gz WVMCEPPUUBNVQG-HOTGVXAUSA-N 1 2 347.484 2.204 20 30 EEEDLO 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ZINC001000078979 1239907388 /nfs/dbraw/zinc/90/73/88/1239907388.db2.gz SLHSAIJHTXVBOQ-HNNXBMFYSA-N 1 2 348.447 2.043 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ncc(OC)cc2F)CC1 ZINC001000759404 1240883600 /nfs/dbraw/zinc/88/36/00/1240883600.db2.gz OBVHTUSOSCSZDV-UHFFFAOYSA-N 1 2 339.798 2.344 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ncc(OC)cc2F)CC1 ZINC001000759404 1240883602 /nfs/dbraw/zinc/88/36/02/1240883602.db2.gz OBVHTUSOSCSZDV-UHFFFAOYSA-N 1 2 339.798 2.344 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cc(Cl)n(C)n2)CC1 ZINC001000934697 1241243292 /nfs/dbraw/zinc/24/32/92/1241243292.db2.gz KDYDEAUBYJKWGP-UHFFFAOYSA-N 1 2 329.231 2.188 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cc(Cl)n(C)n2)CC1 ZINC001000934697 1241243301 /nfs/dbraw/zinc/24/33/01/1241243301.db2.gz KDYDEAUBYJKWGP-UHFFFAOYSA-N 1 2 329.231 2.188 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2nccn2C)cc1 ZINC001049630631 1241703624 /nfs/dbraw/zinc/70/36/24/1241703624.db2.gz OFKMGZWJDIRJDM-RBUKOAKNSA-N 1 2 348.450 2.281 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2nccn2C)cc1 ZINC001049630631 1241703629 /nfs/dbraw/zinc/70/36/29/1241703629.db2.gz OFKMGZWJDIRJDM-RBUKOAKNSA-N 1 2 348.450 2.281 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2nc(C)no2)C1 ZINC001049708760 1241944861 /nfs/dbraw/zinc/94/48/61/1241944861.db2.gz PUYVLBSGRKYCOY-HUUCEWRRSA-N 1 2 330.432 2.300 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2nc(C)no2)C1 ZINC001049708760 1241944871 /nfs/dbraw/zinc/94/48/71/1241944871.db2.gz PUYVLBSGRKYCOY-HUUCEWRRSA-N 1 2 330.432 2.300 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)c2nccs2)CC1 ZINC001001298314 1242009184 /nfs/dbraw/zinc/00/91/84/1242009184.db2.gz IUINAOIFZLFDCU-UHFFFAOYSA-N 1 2 342.262 2.414 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)c2nccs2)CC1 ZINC001001298314 1242009197 /nfs/dbraw/zinc/00/91/97/1242009197.db2.gz IUINAOIFZLFDCU-UHFFFAOYSA-N 1 2 342.262 2.414 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccon1 ZINC001049777052 1242158300 /nfs/dbraw/zinc/15/83/00/1242158300.db2.gz GEVLFRJIEBPMDG-MLHJIOFPSA-N 1 2 345.443 2.221 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccon1 ZINC001049777052 1242158310 /nfs/dbraw/zinc/15/83/10/1242158310.db2.gz GEVLFRJIEBPMDG-MLHJIOFPSA-N 1 2 345.443 2.221 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cccc(C(=O)NC)c2)CC1 ZINC001001459996 1242313697 /nfs/dbraw/zinc/31/36/97/1242313697.db2.gz ZPVHNVYSWJLBNA-UHFFFAOYSA-N 1 2 347.846 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cccc(C(=O)NC)c2)CC1 ZINC001001459996 1242313705 /nfs/dbraw/zinc/31/37/05/1242313705.db2.gz ZPVHNVYSWJLBNA-UHFFFAOYSA-N 1 2 347.846 2.161 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001067918038 1249970571 /nfs/dbraw/zinc/97/05/71/1249970571.db2.gz OYJOQVCWQGZPKN-MRXNPFEDSA-N 1 2 348.491 2.262 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001050000147 1242559988 /nfs/dbraw/zinc/55/99/88/1242559988.db2.gz RGIYKSRWGMYKMJ-QIIPPGSGSA-N 1 2 340.402 2.280 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001050000147 1242559997 /nfs/dbraw/zinc/55/99/97/1242559997.db2.gz RGIYKSRWGMYKMJ-QIIPPGSGSA-N 1 2 340.402 2.280 20 30 EEEDLO CCc1noc([C@H](C)[N@H+](C)C[C@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC001074009741 1242902166 /nfs/dbraw/zinc/90/21/66/1242902166.db2.gz FCQNFZYRKLKQOT-GOEBONIOSA-N 1 2 344.459 2.419 20 30 EEEDLO CCc1noc([C@H](C)[N@@H+](C)C[C@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC001074009741 1242902173 /nfs/dbraw/zinc/90/21/73/1242902173.db2.gz FCQNFZYRKLKQOT-GOEBONIOSA-N 1 2 344.459 2.419 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)OC)[C@@H]2C1 ZINC001049993773 1242986887 /nfs/dbraw/zinc/98/68/87/1242986887.db2.gz PZNMACXLYXMLJW-BFHYXJOUSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)OC)[C@@H]2C1 ZINC001049993773 1242986896 /nfs/dbraw/zinc/98/68/96/1242986896.db2.gz PZNMACXLYXMLJW-BFHYXJOUSA-N 1 2 345.281 2.243 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)cnn1 ZINC001097005145 1243565933 /nfs/dbraw/zinc/56/59/33/1243565933.db2.gz AUXJUFBUMSVRBE-AQNXPRMDSA-N 1 2 346.434 2.172 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)cnn1 ZINC001097005145 1243565939 /nfs/dbraw/zinc/56/59/39/1243565939.db2.gz AUXJUFBUMSVRBE-AQNXPRMDSA-N 1 2 346.434 2.172 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097014279 1243577133 /nfs/dbraw/zinc/57/71/33/1243577133.db2.gz PSKYJGPQERVDMF-NJSLBKSFSA-N 1 2 344.459 2.050 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001097014654 1243577678 /nfs/dbraw/zinc/57/76/78/1243577678.db2.gz WXCQPBXJCJWFOV-HBUWYVDXSA-N 1 2 330.432 2.049 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnn1CC(F)F)C2 ZINC001097073815 1243660011 /nfs/dbraw/zinc/66/00/11/1243660011.db2.gz WLGJWEZDKFTCME-UTUOFQBUSA-N 1 2 344.793 2.236 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnn1CC(F)F)C2 ZINC001097073815 1243660017 /nfs/dbraw/zinc/66/00/17/1243660017.db2.gz WLGJWEZDKFTCME-UTUOFQBUSA-N 1 2 344.793 2.236 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccns1 ZINC001097096148 1243694435 /nfs/dbraw/zinc/69/44/35/1243694435.db2.gz KSAIBFPSKUYDLB-MNLARUNXSA-N 1 2 347.484 2.346 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccns1 ZINC001097096148 1243694444 /nfs/dbraw/zinc/69/44/44/1243694444.db2.gz KSAIBFPSKUYDLB-MNLARUNXSA-N 1 2 347.484 2.346 20 30 EEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2C#N)C1 ZINC001097105959 1243704737 /nfs/dbraw/zinc/70/47/37/1243704737.db2.gz HLDSZGPAPVXAEL-AVGNSLFASA-N 1 2 341.390 2.358 20 30 EEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2C#N)C1 ZINC001097105959 1243704744 /nfs/dbraw/zinc/70/47/44/1243704744.db2.gz HLDSZGPAPVXAEL-AVGNSLFASA-N 1 2 341.390 2.358 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc2n1CCCCC2 ZINC001050979832 1243783701 /nfs/dbraw/zinc/78/37/01/1243783701.db2.gz ZZUFYVXTERPCFO-MRXNPFEDSA-N 1 2 346.475 2.006 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc2n1CCCCC2 ZINC001050979832 1243783707 /nfs/dbraw/zinc/78/37/07/1243783707.db2.gz ZZUFYVXTERPCFO-MRXNPFEDSA-N 1 2 346.475 2.006 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H]2C[C@@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)n1 ZINC001097254747 1243879727 /nfs/dbraw/zinc/87/97/27/1243879727.db2.gz SLGFKHIPNVQDIM-BMFZPTHFSA-N 1 2 338.415 2.169 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)n1C ZINC001097721942 1244534622 /nfs/dbraw/zinc/53/46/22/1244534622.db2.gz ZJPXCNIYUPQHIL-QRVBRYPASA-N 1 2 348.450 2.115 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)n1C ZINC001097721942 1244534626 /nfs/dbraw/zinc/53/46/26/1244534626.db2.gz ZJPXCNIYUPQHIL-QRVBRYPASA-N 1 2 348.450 2.115 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)nc(OC)c1)C2 ZINC001097729948 1244541564 /nfs/dbraw/zinc/54/15/64/1244541564.db2.gz FLUPPZQGTYSIFA-KFWWJZLASA-N 1 2 335.835 2.486 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)nc(OC)c1)C2 ZINC001097729948 1244541570 /nfs/dbraw/zinc/54/15/70/1244541570.db2.gz FLUPPZQGTYSIFA-KFWWJZLASA-N 1 2 335.835 2.486 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001050920323 1244629101 /nfs/dbraw/zinc/62/91/01/1244629101.db2.gz FMXAKEAGEYGHPB-QRVBRYPASA-N 1 2 344.455 2.300 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001050920323 1244629108 /nfs/dbraw/zinc/62/91/08/1244629108.db2.gz FMXAKEAGEYGHPB-QRVBRYPASA-N 1 2 344.455 2.300 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(-n2cccc2)cc1 ZINC001051007500 1244835446 /nfs/dbraw/zinc/83/54/46/1244835446.db2.gz KTAZSBVEASMITQ-LJQANCHMSA-N 1 2 339.439 2.484 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(-n2cccc2)cc1 ZINC001051007500 1244835450 /nfs/dbraw/zinc/83/54/50/1244835450.db2.gz KTAZSBVEASMITQ-LJQANCHMSA-N 1 2 339.439 2.484 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1coc2ccc(OC)cc21 ZINC001051019423 1244860111 /nfs/dbraw/zinc/86/01/11/1244860111.db2.gz DSZFCGZJHISDPO-CQSZACIVSA-N 1 2 344.411 2.448 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1coc2ccc(OC)cc21 ZINC001051019423 1244860123 /nfs/dbraw/zinc/86/01/23/1244860123.db2.gz DSZFCGZJHISDPO-CQSZACIVSA-N 1 2 344.411 2.448 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C(F)(F)F)nc1 ZINC001051055512 1244919665 /nfs/dbraw/zinc/91/96/65/1244919665.db2.gz QXHISKKEPIZCMF-CYBMUJFWSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C(F)(F)F)nc1 ZINC001051055512 1244919672 /nfs/dbraw/zinc/91/96/72/1244919672.db2.gz QXHISKKEPIZCMF-CYBMUJFWSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2cccc(OC)c21 ZINC001051151877 1245054529 /nfs/dbraw/zinc/05/45/29/1245054529.db2.gz DVFSCCMIIDHJKX-DLBZAZTESA-N 1 2 344.455 2.118 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2cccc(OC)c21 ZINC001051151877 1245054531 /nfs/dbraw/zinc/05/45/31/1245054531.db2.gz DVFSCCMIIDHJKX-DLBZAZTESA-N 1 2 344.455 2.118 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001051165352 1245071148 /nfs/dbraw/zinc/07/11/48/1245071148.db2.gz ZQKPIGPDORLXRB-GBESFXJTSA-N 1 2 328.456 2.492 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001051165352 1245071155 /nfs/dbraw/zinc/07/11/55/1245071155.db2.gz ZQKPIGPDORLXRB-GBESFXJTSA-N 1 2 328.456 2.492 20 30 EEEDLO C#CC[N@H+]1CCc2c(CNC(=O)c3n[nH]c4ccccc43)cccc2C1 ZINC001051306764 1245511573 /nfs/dbraw/zinc/51/15/73/1245511573.db2.gz OXYINGMUZFUZHE-UHFFFAOYSA-N 1 2 344.418 2.484 20 30 EEEDLO C#CC[N@@H+]1CCc2c(CNC(=O)c3n[nH]c4ccccc43)cccc2C1 ZINC001051306764 1245511579 /nfs/dbraw/zinc/51/15/79/1245511579.db2.gz OXYINGMUZFUZHE-UHFFFAOYSA-N 1 2 344.418 2.484 20 30 EEEDLO Cc1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@]3(C)C2)s1 ZINC001101229191 1245545576 /nfs/dbraw/zinc/54/55/76/1245545576.db2.gz OAQRVHIDJRBUKS-KDOFPFPSSA-N 1 2 346.500 2.176 20 30 EEEDLO Cc1nnc(C[N@H+]2C[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@]3(C)C2)s1 ZINC001101229191 1245545584 /nfs/dbraw/zinc/54/55/84/1245545584.db2.gz OAQRVHIDJRBUKS-KDOFPFPSSA-N 1 2 346.500 2.176 20 30 EEEDLO C=C(C)CCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001051333249 1245564098 /nfs/dbraw/zinc/56/40/98/1245564098.db2.gz ZKXYXJOBNMLFDR-CVEARBPZSA-N 1 2 346.475 2.062 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H](C)CCC)c1nccn12 ZINC001101616862 1246042269 /nfs/dbraw/zinc/04/22/69/1246042269.db2.gz HYSBCDIGBBVBJI-JKSUJKDBSA-N 1 2 328.460 2.305 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)C=C(CC)CC)c1nccn12 ZINC001101622936 1246054303 /nfs/dbraw/zinc/05/43/03/1246054303.db2.gz TVZMVHZSVDXKOM-MRXNPFEDSA-N 1 2 326.444 2.225 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@](C)(F)CCCC)c1nccn12 ZINC001101632200 1246061989 /nfs/dbraw/zinc/06/19/89/1246061989.db2.gz 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C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1Cc3ccc(Cl)cc31)CCO2 ZINC001053520939 1246426476 /nfs/dbraw/zinc/42/64/76/1246426476.db2.gz SYHCMCCXBZSTBX-QGZVFWFLSA-N 1 2 346.858 2.469 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(C(F)F)o1)CCO2 ZINC001053520363 1246426549 /nfs/dbraw/zinc/42/65/49/1246426549.db2.gz NZCJQZKLPYGUFV-UHFFFAOYSA-N 1 2 326.343 2.320 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCC3(C)C)C2)CC1 ZINC001052067290 1246438517 /nfs/dbraw/zinc/43/85/17/1246438517.db2.gz ICIAGEBIFVOLHY-ZWKOTPCHSA-N 1 2 331.504 2.055 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)c1cccc(OC)c1)CCO2 ZINC001053543063 1246453554 /nfs/dbraw/zinc/45/35/54/1246453554.db2.gz WMPUBSOLKBOGBT-MRXNPFEDSA-N 1 2 344.455 2.288 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[C@H](C)CC3)C2)CC1 ZINC001052110746 1246492657 /nfs/dbraw/zinc/49/26/57/1246492657.db2.gz WORLYMDLQMHBGA-GUDVDZBRSA-N 1 2 331.504 2.055 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(C)cc(C)cc3C)C2)CC1 ZINC001052117004 1246501626 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/nfs/dbraw/zinc/11/63/05/1305116305.db2.gz RIURZGUVANSLTN-GOSISDBHSA-N 1 2 344.430 2.090 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NCCC[N@@H+](C)[C@H](C)c1nc(CC)no1 ZINC001235230770 1305159266 /nfs/dbraw/zinc/15/92/66/1305159266.db2.gz UXOSDVSXWOSESL-ZIAGYGMSSA-N 1 2 338.452 2.112 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NCCC[N@H+](C)[C@H](C)c1nc(CC)no1 ZINC001235230770 1305159269 /nfs/dbraw/zinc/15/92/69/1305159269.db2.gz UXOSDVSXWOSESL-ZIAGYGMSSA-N 1 2 338.452 2.112 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NCCC[N@@H+](C)[C@@H](C)c1nc(CC)no1 ZINC001235230766 1305159487 /nfs/dbraw/zinc/15/94/87/1305159487.db2.gz UXOSDVSXWOSESL-UONOGXRCSA-N 1 2 338.452 2.112 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NCCC[N@H+](C)[C@@H](C)c1nc(CC)no1 ZINC001235230766 1305159489 /nfs/dbraw/zinc/15/94/89/1305159489.db2.gz UXOSDVSXWOSESL-UONOGXRCSA-N 1 2 338.452 2.112 20 30 EEEDLO COC(=O)c1cc(C[NH+]2CCC(C#Cc3ccccc3)CC2)nn1C ZINC001237573605 1305986909 /nfs/dbraw/zinc/98/69/09/1305986909.db2.gz MCUKJTGTBBFSAN-UHFFFAOYSA-N 1 2 337.423 2.470 20 30 EEEDLO Cc1cc(OC2CC[NH+](Cc3cn4cc(C#N)ccc4n3)CC2)ncn1 ZINC001237610142 1306000558 /nfs/dbraw/zinc/00/05/58/1306000558.db2.gz IWQGZHTWZPVIGF-UHFFFAOYSA-N 1 2 348.410 2.348 20 30 EEEDLO COc1nc(-c2ccc(OCC[NH+]3CCOCC3)cc2)ccc1C#N ZINC001240448723 1309328043 /nfs/dbraw/zinc/32/80/43/1309328043.db2.gz PPUOMHKQVDUZCV-UHFFFAOYSA-N 1 2 339.395 2.340 20 30 EEEDLO CC(C)C#CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2Cc2cnsn2)C1 ZINC001120373815 1309495038 /nfs/dbraw/zinc/49/50/38/1309495038.db2.gz RPYQVRDLGPGRFA-RDJZCZTQSA-N 1 2 346.500 2.401 20 30 EEEDLO CC(C)C#CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2Cc2cnsn2)C1 ZINC001120373815 1309495054 /nfs/dbraw/zinc/49/50/54/1309495054.db2.gz RPYQVRDLGPGRFA-RDJZCZTQSA-N 1 2 346.500 2.401 20 30 EEEDLO C=CCn1c(C(F)F)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001121600664 1310067684 /nfs/dbraw/zinc/06/76/84/1310067684.db2.gz PSNGHAUQCUNPJW-UHFFFAOYSA-N 1 2 338.362 2.020 20 30 EEEDLO CCc1nc(N2CC[C@]3(NC(=O)[C@H](C)C#N)CCC[C@@H]23)cc(C)[nH+]1 ZINC001123377417 1310540491 /nfs/dbraw/zinc/54/04/91/1310540491.db2.gz RKCFUJQNALINDX-RVZJWNSFSA-N 1 2 327.432 2.125 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)[C@H]1C ZINC001123523113 1310600876 /nfs/dbraw/zinc/60/08/76/1310600876.db2.gz QJZIEQMYMQSHBY-HOCLYGCPSA-N 1 2 332.448 2.078 20 30 EEEDLO C=CCC1(C(=O)N(C)C[C@H](O)CN(C)c2cc[nH+]c(C)n2)CCCC1 ZINC001125114944 1310988090 /nfs/dbraw/zinc/98/80/90/1310988090.db2.gz LABNDDNKQXNGDH-MRXNPFEDSA-N 1 2 346.475 2.177 20 30 EEEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1nc(C)c(Cl)c(C)c1C#N ZINC001160691046 1320235013 /nfs/dbraw/zinc/23/50/13/1320235013.db2.gz MRKGHMBYHIIEJB-ZDUSSCGKSA-N 1 2 347.806 2.153 20 30 EEEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cnc(C(F)(F)F)nc2)C1 ZINC001141470589 1315167224 /nfs/dbraw/zinc/16/72/24/1315167224.db2.gz HJJGUJHIZILMFN-LBPRGKRZSA-N 1 2 344.337 2.372 20 30 EEEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cnc(C(F)(F)F)nc2)C1 ZINC001141470589 1315167227 /nfs/dbraw/zinc/16/72/27/1315167227.db2.gz HJJGUJHIZILMFN-LBPRGKRZSA-N 1 2 344.337 2.372 20 30 EEEDLO CCCc1cc(=O)oc2cc(OC[C@@H](O)C[N@H+](C)CCC#N)ccc12 ZINC000840751853 1315406300 /nfs/dbraw/zinc/40/63/00/1315406300.db2.gz DZKRJOQYKASIOP-HNNXBMFYSA-N 1 2 344.411 2.331 20 30 EEEDLO CCCc1cc(=O)oc2cc(OC[C@@H](O)C[N@@H+](C)CCC#N)ccc12 ZINC000840751853 1315406303 /nfs/dbraw/zinc/40/63/03/1315406303.db2.gz DZKRJOQYKASIOP-HNNXBMFYSA-N 1 2 344.411 2.331 20 30 EEEDLO N#Cc1cccc(N2CC[NH+](Cc3cc4c(cn3)OCCO4)CC2)c1 ZINC001143069540 1315852000 /nfs/dbraw/zinc/85/20/00/1315852000.db2.gz LEWQJKMXJWNWCR-UHFFFAOYSA-N 1 2 336.395 2.047 20 30 EEEDLO N#CC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(Br)cc3)C2)CC1 ZINC001143188507 1315883594 /nfs/dbraw/zinc/88/35/94/1315883594.db2.gz KXUQOSKUOYGTTK-AWEZNQCLSA-N 1 2 348.244 2.443 20 30 EEEDLO N#CC1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(Br)cc3)C2)CC1 ZINC001143188507 1315883597 /nfs/dbraw/zinc/88/35/97/1315883597.db2.gz KXUQOSKUOYGTTK-AWEZNQCLSA-N 1 2 348.244 2.443 20 30 EEEDLO CC(C)C#CC(=O)NC[C@H]1C[N@H+](Cc2ncoc2C(C)C)CCCO1 ZINC001149673634 1316011427 /nfs/dbraw/zinc/01/14/27/1316011427.db2.gz NPGUWDKKVUEVGJ-INIZCTEOSA-N 1 2 347.459 2.165 20 30 EEEDLO CC(C)C#CC(=O)NC[C@H]1C[N@@H+](Cc2ncoc2C(C)C)CCCO1 ZINC001149673634 1316011431 /nfs/dbraw/zinc/01/14/31/1316011431.db2.gz NPGUWDKKVUEVGJ-INIZCTEOSA-N 1 2 347.459 2.165 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1C[N@H+](CC(=C)Cl)CCCO1 ZINC001150046726 1316137665 /nfs/dbraw/zinc/13/76/65/1316137665.db2.gz CWEHJDSOEGTZFB-RDJZCZTQSA-N 1 2 344.883 2.175 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1C[N@@H+](CC(=C)Cl)CCCO1 ZINC001150046726 1316137667 /nfs/dbraw/zinc/13/76/67/1316137667.db2.gz CWEHJDSOEGTZFB-RDJZCZTQSA-N 1 2 344.883 2.175 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@H+]([C@H](C)c2ncc(C)o2)CCCO1 ZINC001150084260 1316149573 /nfs/dbraw/zinc/14/95/73/1316149573.db2.gz AERGHBZRQRRXEZ-HUUCEWRRSA-N 1 2 335.448 2.463 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1C[N@@H+]([C@H](C)c2ncc(C)o2)CCCO1 ZINC001150084260 1316149581 /nfs/dbraw/zinc/14/95/81/1316149581.db2.gz AERGHBZRQRRXEZ-HUUCEWRRSA-N 1 2 335.448 2.463 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CCCOC(C)C)C1 ZINC001150817869 1316384587 /nfs/dbraw/zinc/38/45/87/1316384587.db2.gz IAIDOCBNNOWPQV-OAHLLOKOSA-N 1 2 332.872 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CCCOC(C)C)C1 ZINC001150817869 1316384591 /nfs/dbraw/zinc/38/45/91/1316384591.db2.gz IAIDOCBNNOWPQV-OAHLLOKOSA-N 1 2 332.872 2.151 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1cc(CC)n[nH]1 ZINC001152004733 1316620005 /nfs/dbraw/zinc/62/00/05/1316620005.db2.gz CTYSPNSDEUXWRS-LLVKDONJSA-N 1 2 343.269 2.321 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1cc(CC)n[nH]1 ZINC001152004733 1316620006 /nfs/dbraw/zinc/62/00/06/1316620006.db2.gz CTYSPNSDEUXWRS-LLVKDONJSA-N 1 2 343.269 2.321 20 30 EEEDLO C=CCOc1ccc(CC(=O)NCC[NH2+][C@H](C)c2csnn2)cc1 ZINC001152769149 1316721210 /nfs/dbraw/zinc/72/12/10/1316721210.db2.gz CHLMJGXCEZVAIH-CYBMUJFWSA-N 1 2 346.456 2.112 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](OC)C1CC1 ZINC001153078763 1316771373 /nfs/dbraw/zinc/77/13/73/1316771373.db2.gz MIRWIHGLZKUHLJ-YPMHNXCESA-N 1 2 333.270 2.147 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](OC)C1CC1 ZINC001153078763 1316771377 /nfs/dbraw/zinc/77/13/77/1316771377.db2.gz MIRWIHGLZKUHLJ-YPMHNXCESA-N 1 2 333.270 2.147 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)c2cn3c(cccc3Br)n2)CC1 ZINC001153116535 1316779247 /nfs/dbraw/zinc/77/92/47/1316779247.db2.gz WMKUEPLOEYFAMS-UHFFFAOYSA-N 1 2 349.232 2.041 20 30 EEEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nc(CC3CC3)no2)CCCC1 ZINC001153814023 1316890084 /nfs/dbraw/zinc/89/00/84/1316890084.db2.gz NGWGKUKXYAHEPA-UHFFFAOYSA-N 1 2 332.448 2.364 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1conc1C ZINC001154973136 1317405444 /nfs/dbraw/zinc/40/54/44/1317405444.db2.gz LGCBSAVRSHGDHC-SNVBAGLBSA-N 1 2 330.226 2.332 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1conc1C ZINC001154973136 1317405448 /nfs/dbraw/zinc/40/54/48/1317405448.db2.gz LGCBSAVRSHGDHC-SNVBAGLBSA-N 1 2 330.226 2.332 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](OC)C(C)C ZINC001155017197 1317421494 /nfs/dbraw/zinc/42/14/94/1317421494.db2.gz RKHFWZIWFKTZSM-CHWSQXEVSA-N 1 2 335.286 2.393 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](OC)C(C)C ZINC001155017197 1317421495 /nfs/dbraw/zinc/42/14/95/1317421495.db2.gz RKHFWZIWFKTZSM-CHWSQXEVSA-N 1 2 335.286 2.393 20 30 EEEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001252594709 1317641298 /nfs/dbraw/zinc/64/12/98/1317641298.db2.gz ATXHHADNWLXRFP-OWCLPIDISA-N 1 2 340.464 2.024 20 30 EEEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001252594709 1317641304 /nfs/dbraw/zinc/64/13/04/1317641304.db2.gz ATXHHADNWLXRFP-OWCLPIDISA-N 1 2 340.464 2.024 20 30 EEEDLO Cn1cc(C[N@@H+]2CCC23CN(Cc2ccc(F)cc2C#N)C3)cc1C#N ZINC001278749237 1317959619 /nfs/dbraw/zinc/95/96/19/1317959619.db2.gz GLAIJFBRYAOEKP-UHFFFAOYSA-N 1 2 349.413 2.368 20 30 EEEDLO Cn1cc(C[N@H+]2CCC23CN(Cc2ccc(F)cc2C#N)C3)cc1C#N ZINC001278749237 1317959622 /nfs/dbraw/zinc/95/96/22/1317959622.db2.gz GLAIJFBRYAOEKP-UHFFFAOYSA-N 1 2 349.413 2.368 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)c2cnc3cc(C(F)(F)F)ccn32)CC1 ZINC001156583022 1318085842 /nfs/dbraw/zinc/08/58/42/1318085842.db2.gz RPPQUQLQVZRTOO-UHFFFAOYSA-N 1 2 338.333 2.297 20 30 EEEDLO Cc1c[nH+]ccc1O[C@H]1CCN(C(=O)c2[nH]nc3cc(C#N)ccc32)C1 ZINC001156884144 1318262234 /nfs/dbraw/zinc/26/22/34/1318262234.db2.gz IEWBTGXRIWBYMA-AWEZNQCLSA-N 1 2 347.378 2.432 20 30 EEEDLO Cc1c[nH+]ccc1O[C@H]1CCN(C(=O)c2n[nH]c3cc(C#N)ccc32)C1 ZINC001156884144 1318262244 /nfs/dbraw/zinc/26/22/44/1318262244.db2.gz IEWBTGXRIWBYMA-AWEZNQCLSA-N 1 2 347.378 2.432 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H](C)Cc1ccccn1 ZINC001256413044 1318730786 /nfs/dbraw/zinc/73/07/86/1318730786.db2.gz BNVKZNFJPQNDQS-MAUKXSAKSA-N 1 2 341.459 2.426 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@@H](C)Cc1ccccn1 ZINC001256413044 1318730790 /nfs/dbraw/zinc/73/07/90/1318730790.db2.gz BNVKZNFJPQNDQS-MAUKXSAKSA-N 1 2 341.459 2.426 20 30 EEEDLO Cc1ccc2[nH+]cc(CNS(=O)(=O)Cc3ccc(C#N)cc3)n2c1 ZINC001260045854 1319782876 /nfs/dbraw/zinc/78/28/76/1319782876.db2.gz PLNRWEMSIFQFCW-UHFFFAOYSA-N 1 2 340.408 2.134 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)[C@@H](C)COC)CC1 ZINC001159556309 1319886172 /nfs/dbraw/zinc/88/61/72/1319886172.db2.gz QIYAWCARGIZMQQ-LBPRGKRZSA-N 1 2 345.281 2.316 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C)COC)CC1 ZINC001159556309 1319886175 /nfs/dbraw/zinc/88/61/75/1319886175.db2.gz QIYAWCARGIZMQQ-LBPRGKRZSA-N 1 2 345.281 2.316 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CCNC(=O)c2cocn2)CC1 ZINC001159618844 1319918803 /nfs/dbraw/zinc/91/88/03/1319918803.db2.gz JMYCYIJPDCJCIM-UHFFFAOYSA-N 1 2 340.221 2.335 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CCNC(=O)c2cocn2)CC1 ZINC001159618844 1319918805 /nfs/dbraw/zinc/91/88/05/1319918805.db2.gz JMYCYIJPDCJCIM-UHFFFAOYSA-N 1 2 340.221 2.335 20 30 EEEDLO Cc1nc(C[N@H+]2CC=C(CCNC(=O)c3c[nH]c(C#N)c3)CC2)co1 ZINC001159891594 1320013451 /nfs/dbraw/zinc/01/34/51/1320013451.db2.gz PZRKVKACXYLURG-UHFFFAOYSA-N 1 2 339.399 2.135 20 30 EEEDLO Cc1nc(C[N@@H+]2CC=C(CCNC(=O)c3c[nH]c(C#N)c3)CC2)co1 ZINC001159891594 1320013453 /nfs/dbraw/zinc/01/34/53/1320013453.db2.gz PZRKVKACXYLURG-UHFFFAOYSA-N 1 2 339.399 2.135 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NCCC1=CC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC001159979113 1320039673 /nfs/dbraw/zinc/03/96/73/1320039673.db2.gz JKEBFZSKLJRPDX-IBGZPJMESA-N 1 2 347.459 2.257 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NCCC1=CC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC001159979113 1320039677 /nfs/dbraw/zinc/03/96/77/1320039677.db2.gz JKEBFZSKLJRPDX-IBGZPJMESA-N 1 2 347.459 2.257 20 30 EEEDLO CCc1cnc(C[N@H+]2CC=C(CCNC(=O)C#CC3CC3)CC2)o1 ZINC001160081033 1320065392 /nfs/dbraw/zinc/06/53/92/1320065392.db2.gz CZZALNKBMGOWMP-UHFFFAOYSA-N 1 2 327.428 2.289 20 30 EEEDLO CCc1cnc(C[N@@H+]2CC=C(CCNC(=O)C#CC3CC3)CC2)o1 ZINC001160081033 1320065397 /nfs/dbraw/zinc/06/53/97/1320065397.db2.gz CZZALNKBMGOWMP-UHFFFAOYSA-N 1 2 327.428 2.289 20 30 EEEDLO N#CCN1CC=C(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001160798597 1320271714 /nfs/dbraw/zinc/27/17/14/1320271714.db2.gz MXAMIVBAFVPUIQ-UHFFFAOYSA-N 1 2 335.411 2.148 20 30 EEEDLO C=C1CCC(C(=O)NCCC2=CC[N@H+](Cc3cnon3)CC2)CC1 ZINC001161112007 1320387420 /nfs/dbraw/zinc/38/74/20/1320387420.db2.gz DCXLJXMUHAFKBI-UHFFFAOYSA-N 1 2 330.432 2.454 20 30 EEEDLO C=C1CCC(C(=O)NCCC2=CC[N@@H+](Cc3cnon3)CC2)CC1 ZINC001161112007 1320387424 /nfs/dbraw/zinc/38/74/24/1320387424.db2.gz DCXLJXMUHAFKBI-UHFFFAOYSA-N 1 2 330.432 2.454 20 30 EEEDLO CCOC(=O)c1cc2cc[nH+]c(N[C@@H](CC(C)C)C(=O)NO)c2[nH]1 ZINC001163418378 1321120764 /nfs/dbraw/zinc/12/07/64/1321120764.db2.gz UQUUKZPUDLHDPH-NSHDSACASA-N 1 2 334.376 2.072 20 30 EEEDLO COC(=O)[C@@H]1C[C@H](Nc2c(C#N)c(Cl)nc3cccc(F)c32)C[NH2+]1 ZINC001164304787 1321344666 /nfs/dbraw/zinc/34/46/66/1321344666.db2.gz FIWLJOKDIGDTHJ-UFBFGSQYSA-N 1 2 348.765 2.214 20 30 EEEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001203858545 1321976649 /nfs/dbraw/zinc/97/66/49/1321976649.db2.gz NUAIBFZNBDBHQH-UHFFFAOYSA-N 1 2 332.400 2.373 20 30 EEEDLO C=CCN(CC[NH+]1CCN(c2cnccn2)CC1)C(=O)OC(C)(C)C ZINC001207199913 1323902458 /nfs/dbraw/zinc/90/24/58/1323902458.db2.gz UYTYCHFJPMMMNK-UHFFFAOYSA-N 1 2 347.463 2.022 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2cccs2)C[C@H]1C ZINC001207215581 1323906308 /nfs/dbraw/zinc/90/63/08/1323906308.db2.gz LUXDNKGNDCZJOG-GDBMZVCRSA-N 1 2 349.500 2.157 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NCc2cccs2)C[C@H]1C ZINC001207215581 1323906311 /nfs/dbraw/zinc/90/63/11/1323906311.db2.gz LUXDNKGNDCZJOG-GDBMZVCRSA-N 1 2 349.500 2.157 20 30 EEEDLO Cn1cc(CN2CCC23C[NH+](CCC(=O)c2ccccc2)C3)cc1C#N ZINC001280176337 1324104297 /nfs/dbraw/zinc/10/42/97/1324104297.db2.gz JGNNONWQIJSSGO-UHFFFAOYSA-N 1 2 348.450 2.430 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC2(C[C@@H]2C(=O)Nc2ccc(O)cc2O)C1 ZINC001280288591 1324143581 /nfs/dbraw/zinc/14/35/81/1324143581.db2.gz QQRKOVRYIWCMPG-MRXNPFEDSA-N 1 2 349.390 2.430 20 30 EEEDLO C#CCCCCC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nc(COC)no2)C1 ZINC001207859569 1324183759 /nfs/dbraw/zinc/18/37/59/1324183759.db2.gz BFKKNKUYWJKILK-GJZGRUSLSA-N 1 2 348.447 2.051 20 30 EEEDLO CCc1noc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C#CC(C)(C)C)C2)n1 ZINC001208013123 1324264010 /nfs/dbraw/zinc/26/40/10/1324264010.db2.gz AOAKHUKMZHJKBD-ZIAGYGMSSA-N 1 2 332.448 2.323 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CN(C)C(=O)CCCC(C)C)C1=O ZINC001316604206 1324291595 /nfs/dbraw/zinc/29/15/95/1324291595.db2.gz LETHBTNZHNYZKF-SJORKVTESA-N 1 2 335.492 2.132 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CN(C)C(=O)CCCC(C)C)C1=O ZINC001316604206 1324291602 /nfs/dbraw/zinc/29/16/02/1324291602.db2.gz LETHBTNZHNYZKF-SJORKVTESA-N 1 2 335.492 2.132 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@H+](Cc2coc(C)n2)C[C@H]1C ZINC001208151012 1324338169 /nfs/dbraw/zinc/33/81/69/1324338169.db2.gz WVWMKGHTHHAYSB-MZMPZRCHSA-N 1 2 335.448 2.148 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](Cc2coc(C)n2)C[C@H]1C 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347.846 2.109 20 30 EEEDLO C=CCN(CC=C)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1CC=C ZINC001339485888 1337013114 /nfs/dbraw/zinc/01/31/14/1337013114.db2.gz NPQSHOLQZVXTCB-INIZCTEOSA-N 1 2 331.464 2.424 20 30 EEEDLO C=CCN(CC=C)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1CC=C ZINC001339485888 1337013119 /nfs/dbraw/zinc/01/31/19/1337013119.db2.gz NPQSHOLQZVXTCB-INIZCTEOSA-N 1 2 331.464 2.424 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1C[C@H](C)C[C@@H]1C ZINC001351544075 1337824041 /nfs/dbraw/zinc/82/40/41/1337824041.db2.gz LVPFLUISCOXIGP-PMPSAXMXSA-N 1 2 333.480 2.481 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1C[C@H](C)C[C@@H]1C ZINC001351544075 1337824049 /nfs/dbraw/zinc/82/40/49/1337824049.db2.gz LVPFLUISCOXIGP-PMPSAXMXSA-N 1 2 333.480 2.481 20 30 EEEDLO C[C@@H](CC(=O)NCCN(C)c1ncc(C#N)cc1Cl)n1cc[nH+]c1 ZINC001100350531 1338296950 /nfs/dbraw/zinc/29/69/50/1338296950.db2.gz MJPZJVJGZKJOIC-LBPRGKRZSA-N 1 2 346.822 2.007 20 30 EEEDLO C[C@H](CC(=O)NCCN(C)c1cccc(F)c1C#N)n1cc[nH+]c1 ZINC001100350853 1338297553 /nfs/dbraw/zinc/29/75/53/1338297553.db2.gz ZYWSPSXDOMNTFT-CYBMUJFWSA-N 1 2 329.379 2.098 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001100722045 1338682445 /nfs/dbraw/zinc/68/24/45/1338682445.db2.gz PYPMOJXMHJJMNA-CVEARBPZSA-N 1 2 346.475 2.442 20 30 EEEDLO Cc1nc(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)ccc1C#N ZINC001646259338 1352824496 /nfs/dbraw/zinc/82/44/96/1352824496.db2.gz JOVKDPIUNHGSJW-UHFFFAOYSA-N 1 2 332.407 2.362 20 30 EEEDLO Cc1nc(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)ccc1C#N ZINC001646259338 1352824497 /nfs/dbraw/zinc/82/44/97/1352824497.db2.gz JOVKDPIUNHGSJW-UHFFFAOYSA-N 1 2 332.407 2.362 20 30 EEEDLO C=CCCC[N@H+]1C[C@]2(F)CN(Cc3c(C)noc3C)C(=O)[C@]2(F)C1 ZINC001273487106 1368146351 /nfs/dbraw/zinc/14/63/51/1368146351.db2.gz DADAJTWVBWTVDE-DLBZAZTESA-N 1 2 339.386 2.332 20 30 EEEDLO C=CCCC[N@@H+]1C[C@]2(F)CN(Cc3c(C)noc3C)C(=O)[C@]2(F)C1 ZINC001273487106 1368146354 /nfs/dbraw/zinc/14/63/54/1368146354.db2.gz 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765439509 /nfs/dbraw/zinc/43/95/09/765439509.db2.gz YDFJMZCQWUHXJV-GFCCVEGCSA-N 1 2 329.379 2.312 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H](CNc1nc(N(C)C)nc(C)[nH+]1)CC(C)C ZINC001104984561 765728219 /nfs/dbraw/zinc/72/82/19/765728219.db2.gz YBHZPPFNBLWTEN-CQSZACIVSA-N 1 2 348.495 2.401 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1NC(=O)c1cnco1 ZINC000942540117 782666288 /nfs/dbraw/zinc/66/62/88/782666288.db2.gz HCEGUZOOEGOSFS-WBMJQRKESA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1NC(=O)c1cnco1 ZINC000942540117 782666289 /nfs/dbraw/zinc/66/62/89/782666289.db2.gz HCEGUZOOEGOSFS-WBMJQRKESA-N 1 2 342.374 2.326 20 30 EEEDLO C=CCCC(=O)N1CC[C@H](Nc2ncnc3c2C[N@H+](C)CC3)[C@H](C)C1 ZINC001105038624 768923863 /nfs/dbraw/zinc/92/38/63/768923863.db2.gz PTWFGFWJIBIZHP-ZBFHGGJFSA-N 1 2 343.475 2.080 20 30 EEEDLO C=CCCC(=O)N1CC[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)[C@H](C)C1 ZINC001105038624 768923870 /nfs/dbraw/zinc/92/38/70/768923870.db2.gz PTWFGFWJIBIZHP-ZBFHGGJFSA-N 1 2 343.475 2.080 20 30 EEEDLO Cc1nc(N[C@@H](C)[C@H]2CCCN(C(=O)CSCC#N)C2)cc[nH+]1 ZINC001105074164 768994771 /nfs/dbraw/zinc/99/47/71/768994771.db2.gz MBNRNLKYSSZATL-JSGCOSHPSA-N 1 2 333.461 2.081 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)C(C)C ZINC001105255611 769482948 /nfs/dbraw/zinc/48/29/48/769482948.db2.gz BTFZREFBXLGYDF-CYBMUJFWSA-N 1 2 334.468 2.011 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC3(C)CCCCC3)C2)nn1 ZINC001105278543 769550544 /nfs/dbraw/zinc/55/05/44/769550544.db2.gz JADRMIPTFGSKBV-UHFFFAOYSA-N 1 2 343.475 2.135 20 30 EEEDLO Cc1nc(NC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C)ccc1C#N ZINC001125974868 769816336 /nfs/dbraw/zinc/81/63/36/769816336.db2.gz QUMSBESFZKLXBV-CQSZACIVSA-N 1 2 340.431 2.170 20 30 EEEDLO Cc1ccncc1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031591424 769941104 /nfs/dbraw/zinc/94/11/04/769941104.db2.gz OFRWUFJIYLLTHT-UHFFFAOYSA-N 1 2 338.386 2.263 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ncnn3CC)C[C@H]2C)CC1 ZINC000942600379 782825295 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AMDHNBYWWOBSQH-CABCVRRESA-N 1 2 343.475 2.175 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@H]3C[C@@H]3C(F)F)C2)c1 ZINC001031642431 770555960 /nfs/dbraw/zinc/55/59/60/770555960.db2.gz MIFZUYQRYPCNBF-KBPBESRZSA-N 1 2 337.345 2.147 20 30 EEEDLO COc1ccc(C[N@@H+]2CCCN(C(=O)C(C)(F)F)CC2)cc1C#N ZINC000980609770 774991388 /nfs/dbraw/zinc/99/13/88/774991388.db2.gz YYTUFSKPCKKIHK-UHFFFAOYSA-N 1 2 337.370 2.256 20 30 EEEDLO COc1ccc(C[N@H+]2CCCN(C(=O)C(C)(F)F)CC2)cc1C#N ZINC000980609770 774991394 /nfs/dbraw/zinc/99/13/94/774991394.db2.gz YYTUFSKPCKKIHK-UHFFFAOYSA-N 1 2 337.370 2.256 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001027966928 775309593 /nfs/dbraw/zinc/30/95/93/775309593.db2.gz YHNXRWOKJGILMJ-OCCSQVGLSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001027966928 775309605 /nfs/dbraw/zinc/30/96/05/775309605.db2.gz YHNXRWOKJGILMJ-OCCSQVGLSA-N 1 2 336.867 2.412 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2conc2CC)C[C@H]1OC ZINC001212320937 775699983 /nfs/dbraw/zinc/69/99/83/775699983.db2.gz KFXSIMOWYKVVMZ-QZTJIDSGSA-N 1 2 347.459 2.321 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2conc2CC)C[C@H]1OC ZINC001212320937 775699986 /nfs/dbraw/zinc/69/99/86/775699986.db2.gz KFXSIMOWYKVVMZ-QZTJIDSGSA-N 1 2 347.459 2.321 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@H]3CCOC3)CC2)c(F)c1 ZINC000980880046 775916546 /nfs/dbraw/zinc/91/65/46/775916546.db2.gz UULZZAVYHNIPPH-MRXNPFEDSA-N 1 2 345.418 2.158 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@H]3CCOC3)CC2)c(F)c1 ZINC000980880046 775916552 /nfs/dbraw/zinc/91/65/52/775916552.db2.gz UULZZAVYHNIPPH-MRXNPFEDSA-N 1 2 345.418 2.158 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(CNC(C)=O)cc1 ZINC001028005890 776005022 /nfs/dbraw/zinc/00/50/22/776005022.db2.gz DJHQPNGZRQPMIL-QGZVFWFLSA-N 1 2 349.862 2.269 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CNC(C)=O)cc1 ZINC001028005890 776005027 /nfs/dbraw/zinc/00/50/27/776005027.db2.gz DJHQPNGZRQPMIL-QGZVFWFLSA-N 1 2 349.862 2.269 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H](N(C)C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000939548359 776791723 /nfs/dbraw/zinc/79/17/23/776791723.db2.gz NGHLKALBYBRLJC-CQSZACIVSA-N 1 2 344.459 2.103 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[N@H+](Cc2cncs2)CC1 ZINC000981337798 777197729 /nfs/dbraw/zinc/19/77/29/777197729.db2.gz UTTYCGNVKFWVSD-UHFFFAOYSA-N 1 2 330.457 2.479 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[N@@H+](Cc2cncs2)CC1 ZINC000981337798 777197731 /nfs/dbraw/zinc/19/77/31/777197731.db2.gz UTTYCGNVKFWVSD-UHFFFAOYSA-N 1 2 330.457 2.479 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ncc(C#N)cc2Cl)C1 ZINC000444670705 777199633 /nfs/dbraw/zinc/19/96/33/777199633.db2.gz WYWDMROWGBWRBC-LBPRGKRZSA-N 1 2 329.791 2.360 20 30 EEEDLO Cc1nc(CON=C(N)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cs1 ZINC000181840707 777758052 /nfs/dbraw/zinc/75/80/52/777758052.db2.gz NOCVOWNZBDTDOX-INIZCTEOSA-N 1 2 346.456 2.141 20 30 EEEDLO Cc1nc(CON=C(N)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cs1 ZINC000181840707 777758062 /nfs/dbraw/zinc/75/80/62/777758062.db2.gz NOCVOWNZBDTDOX-INIZCTEOSA-N 1 2 346.456 2.141 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](Cc1cnc(Cl)s1)C2 ZINC000981671726 777954721 /nfs/dbraw/zinc/95/47/21/777954721.db2.gz FYLAWYNQUXJMGN-LLVKDONJSA-N 1 2 338.864 2.381 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](Cc1cnc(Cl)s1)C2 ZINC000981671726 777954724 /nfs/dbraw/zinc/95/47/24/777954724.db2.gz FYLAWYNQUXJMGN-LLVKDONJSA-N 1 2 338.864 2.381 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1ccnc(F)c1 ZINC001010358531 778421048 /nfs/dbraw/zinc/42/10/48/778421048.db2.gz QNBTWZTWELMJLH-QGZVFWFLSA-N 1 2 341.361 2.216 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)c1ccnc(F)c1 ZINC001010358531 778421054 /nfs/dbraw/zinc/42/10/54/778421054.db2.gz QNBTWZTWELMJLH-QGZVFWFLSA-N 1 2 341.361 2.216 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@H+](CC(=O)N2CCCCC2)CC1 ZINC000981873026 778446655 /nfs/dbraw/zinc/44/66/55/778446655.db2.gz FVZWOJPJFCEYHK-LJQANCHMSA-N 1 2 335.492 2.136 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](CC(=O)N2CCCCC2)CC1 ZINC000981873026 778446659 /nfs/dbraw/zinc/44/66/59/778446659.db2.gz FVZWOJPJFCEYHK-LJQANCHMSA-N 1 2 335.492 2.136 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCC[N@H+](Cc1nc(C)no1)C2 ZINC000981927751 778567759 /nfs/dbraw/zinc/56/77/59/778567759.db2.gz KPWJXLBVDJXCDN-UHFFFAOYSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCC[N@@H+](Cc1nc(C)no1)C2 ZINC000981927751 778567765 /nfs/dbraw/zinc/56/77/65/778567765.db2.gz KPWJXLBVDJXCDN-UHFFFAOYSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1nc(C)c(C)o1 ZINC001028198111 778859792 /nfs/dbraw/zinc/85/97/92/778859792.db2.gz YAENOZDRICOTDS-BQFCYCMXSA-N 1 2 347.459 2.353 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1nc(C)c(C)o1 ZINC001028198111 778859799 /nfs/dbraw/zinc/85/97/99/778859799.db2.gz YAENOZDRICOTDS-BQFCYCMXSA-N 1 2 347.459 2.353 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3nc4ccc(F)cc4o3)C[C@H]21 ZINC001075616520 779213295 /nfs/dbraw/zinc/21/32/95/779213295.db2.gz VXVDBIMHWCWXSB-TYNCELHUSA-N 1 2 342.374 2.159 20 30 EEEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3nc4ccc(F)cc4o3)C[C@H]21 ZINC001075616520 779213300 /nfs/dbraw/zinc/21/33/00/779213300.db2.gz VXVDBIMHWCWXSB-TYNCELHUSA-N 1 2 342.374 2.159 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N(C)CCCN(C)c1[nH+]cnc2c1cnn2C ZINC001112155087 781546219 /nfs/dbraw/zinc/54/62/19/781546219.db2.gz KQNYBVUCCWJLTL-KBPBESRZSA-N 1 2 344.463 2.106 20 30 EEEDLO CCCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2OC)C[C@H]1OC ZINC001211867983 781581449 /nfs/dbraw/zinc/58/14/49/781581449.db2.gz AHUPWEOLOUXZEK-SJLPKXTDSA-N 1 2 345.443 2.072 20 30 EEEDLO CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)C[C@H]1OC ZINC001211867983 781581456 /nfs/dbraw/zinc/58/14/56/781581456.db2.gz AHUPWEOLOUXZEK-SJLPKXTDSA-N 1 2 345.443 2.072 20 30 EEEDLO COc1ccc(C[NH2+]Cc2ncc(C3OCCO3)s2)cc1C#N ZINC000809627884 783254689 /nfs/dbraw/zinc/25/46/89/783254689.db2.gz JNMPJXNEROGTNC-UHFFFAOYSA-N 1 2 331.397 2.359 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cccc(OCC)n2)C1 ZINC001033279487 783332152 /nfs/dbraw/zinc/33/21/52/783332152.db2.gz BAFQBFHKRRJHKU-OAHLLOKOSA-N 1 2 337.851 2.308 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cccc(OCC)n2)C1 ZINC001033279487 783332165 /nfs/dbraw/zinc/33/21/65/783332165.db2.gz BAFQBFHKRRJHKU-OAHLLOKOSA-N 1 2 337.851 2.308 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nccn2CC)C1 ZINC001131939000 783495361 /nfs/dbraw/zinc/49/53/61/783495361.db2.gz MTKRSASHDIDKOH-IAGOWNOFSA-N 1 2 348.491 2.355 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nccn2CC)C1 ZINC001131939000 783495367 /nfs/dbraw/zinc/49/53/67/783495367.db2.gz MTKRSASHDIDKOH-IAGOWNOFSA-N 1 2 348.491 2.355 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001131945947 783509000 /nfs/dbraw/zinc/50/90/00/783509000.db2.gz DIFDXCAYTNPWMZ-HZPDHXFCSA-N 1 2 334.464 2.136 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001131945947 783509007 /nfs/dbraw/zinc/50/90/07/783509007.db2.gz DIFDXCAYTNPWMZ-HZPDHXFCSA-N 1 2 334.464 2.136 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(OC)nn2)C1 ZINC001131972513 783536581 /nfs/dbraw/zinc/53/65/81/783536581.db2.gz TVFSRKCPCNRZHG-JKSUJKDBSA-N 1 2 344.459 2.148 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001131972513 783536587 /nfs/dbraw/zinc/53/65/87/783536587.db2.gz TVFSRKCPCNRZHG-JKSUJKDBSA-N 1 2 344.459 2.148 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3snnc3C)C2)cc1 ZINC001033320575 783552249 /nfs/dbraw/zinc/55/22/49/783552249.db2.gz AYFURBFGQLUVGJ-MRXNPFEDSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3snnc3C)C2)cc1 ZINC001033320575 783552257 /nfs/dbraw/zinc/55/22/57/783552257.db2.gz AYFURBFGQLUVGJ-MRXNPFEDSA-N 1 2 340.452 2.174 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)CC1 ZINC000945484131 784168653 /nfs/dbraw/zinc/16/86/53/784168653.db2.gz UHSBRGMJZYUADS-GOEBONIOSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnn(CC(C)C)c2CC)C1 ZINC001035366974 784380057 /nfs/dbraw/zinc/38/00/57/784380057.db2.gz SUSSJWZIOGQZFK-MRXNPFEDSA-N 1 2 348.491 2.108 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnn(CC(C)C)c2CC)C1 ZINC001035366974 784380060 /nfs/dbraw/zinc/38/00/60/784380060.db2.gz SUSSJWZIOGQZFK-MRXNPFEDSA-N 1 2 348.491 2.108 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccc3ccc(C)nc32)C1 ZINC001035408067 784479270 /nfs/dbraw/zinc/47/92/70/784479270.db2.gz FQYOITFLMMQFFD-INIZCTEOSA-N 1 2 325.412 2.160 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cccc3ccc(C)nc32)C1 ZINC001035408067 784479279 /nfs/dbraw/zinc/47/92/79/784479279.db2.gz FQYOITFLMMQFFD-INIZCTEOSA-N 1 2 325.412 2.160 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Cl)ccc2F)C1 ZINC001035436216 784523958 /nfs/dbraw/zinc/52/39/58/784523958.db2.gz ZZQIBGDJMGITQO-CYBMUJFWSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(Cl)ccc2F)C1 ZINC001035436216 784523966 /nfs/dbraw/zinc/52/39/66/784523966.db2.gz ZZQIBGDJMGITQO-CYBMUJFWSA-N 1 2 326.799 2.486 20 30 EEEDLO N#Cc1ccc(C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)[nH]1 ZINC000817186570 784564267 /nfs/dbraw/zinc/56/42/67/784564267.db2.gz AYSLSGCVAVKWCN-UHFFFAOYSA-N 1 2 325.368 2.076 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2csc3ccccc23)C1 ZINC001035462892 784584447 /nfs/dbraw/zinc/58/44/47/784584447.db2.gz KDDXERQXRLTQGG-AWEZNQCLSA-N 1 2 328.437 2.355 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2csc3ccccc23)C1 ZINC001035462892 784584456 /nfs/dbraw/zinc/58/44/56/784584456.db2.gz KDDXERQXRLTQGG-AWEZNQCLSA-N 1 2 328.437 2.355 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001035543548 784651151 /nfs/dbraw/zinc/65/11/51/784651151.db2.gz VKDGFUZOGRZFRM-CEXWTWQISA-N 1 2 344.455 2.192 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001035543548 784651155 /nfs/dbraw/zinc/65/11/55/784651155.db2.gz VKDGFUZOGRZFRM-CEXWTWQISA-N 1 2 344.455 2.192 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001035522212 784663681 /nfs/dbraw/zinc/66/36/81/784663681.db2.gz INFCZSXLSBTNPE-LJQANCHMSA-N 1 2 341.455 2.070 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001035522212 784663685 /nfs/dbraw/zinc/66/36/85/784663685.db2.gz INFCZSXLSBTNPE-LJQANCHMSA-N 1 2 341.455 2.070 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2sc(C(C)(C)C)nc2C)C1 ZINC001035620191 784810322 /nfs/dbraw/zinc/81/03/22/784810322.db2.gz GQUPDEUZCSPKNL-ZDUSSCGKSA-N 1 2 337.489 2.366 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2sc(C(C)(C)C)nc2C)C1 ZINC001035620191 784810331 /nfs/dbraw/zinc/81/03/31/784810331.db2.gz GQUPDEUZCSPKNL-ZDUSSCGKSA-N 1 2 337.489 2.366 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2csc(CC(C)C)n2)C1 ZINC001035618223 784859405 /nfs/dbraw/zinc/85/94/05/784859405.db2.gz FZLNESSHFMCBOX-CQSZACIVSA-N 1 2 337.489 2.348 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2csc(CC(C)C)n2)C1 ZINC001035618223 784859412 /nfs/dbraw/zinc/85/94/12/784859412.db2.gz FZLNESSHFMCBOX-CQSZACIVSA-N 1 2 337.489 2.348 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000946328041 791081440 /nfs/dbraw/zinc/08/14/40/791081440.db2.gz CEVFIFZBKKXDIU-DOTOQJQBSA-N 1 2 344.459 2.100 20 30 EEEDLO CCOc1cc2c(cc1NC[C@@H](O)C[N@H+](C)CCC#N)O[C@H](C)C2 ZINC000819426773 785558921 /nfs/dbraw/zinc/55/89/21/785558921.db2.gz KNNZUITYLHPUEM-UKRRQHHQSA-N 1 2 333.432 2.027 20 30 EEEDLO CCOc1cc2c(cc1NC[C@@H](O)C[N@@H+](C)CCC#N)O[C@H](C)C2 ZINC000819426773 785558925 /nfs/dbraw/zinc/55/89/25/785558925.db2.gz KNNZUITYLHPUEM-UKRRQHHQSA-N 1 2 333.432 2.027 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]Cc3cnsn3)C(C)(C)C2)cc1 ZINC000996117231 786058342 /nfs/dbraw/zinc/05/83/42/786058342.db2.gz XOMMPZVAUOTTRP-MRXNPFEDSA-N 1 2 340.452 2.160 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)NC/C=C/CNc1cccc(F)c1C#N ZINC001107285947 786723409 /nfs/dbraw/zinc/72/34/09/786723409.db2.gz SCMUFGLCTFHMFK-NSCUHMNNSA-N 1 2 327.363 2.056 20 30 EEEDLO N#Cc1cccnc1NCCOC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000821622928 786827459 /nfs/dbraw/zinc/82/74/59/786827459.db2.gz WFESSNOGFQVCSR-UHFFFAOYSA-N 1 2 347.378 2.467 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC(C)(C)C ZINC001109601492 805732678 /nfs/dbraw/zinc/73/26/78/805732678.db2.gz AZUDIGWGRJZFSL-PMPSAXMXSA-N 1 2 349.519 2.473 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC(C)(C)C ZINC001109601492 805732685 /nfs/dbraw/zinc/73/26/85/805732685.db2.gz AZUDIGWGRJZFSL-PMPSAXMXSA-N 1 2 349.519 2.473 20 30 EEEDLO C=CCC(CC=C)C(=O)NC/C=C/CNc1[nH+]cnc2c1cnn2C ZINC001107352321 786958813 /nfs/dbraw/zinc/95/88/13/786958813.db2.gz JGRGUXKKIBQCAH-VOTSOKGWSA-N 1 2 340.431 2.216 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3cc[nH]c32)[C@@H](O)C1 ZINC001090585546 787075599 /nfs/dbraw/zinc/07/55/99/787075599.db2.gz ZWGXCMLAEWOLBE-CABCVRRESA-N 1 2 333.819 2.085 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc3cc[nH]c32)[C@@H](O)C1 ZINC001090585546 787075609 /nfs/dbraw/zinc/07/56/09/787075609.db2.gz ZWGXCMLAEWOLBE-CABCVRRESA-N 1 2 333.819 2.085 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)c1ncccn1 ZINC001109628169 805790528 /nfs/dbraw/zinc/79/05/28/805790528.db2.gz CZSYOKVNORMCHG-YVSFHVDLSA-N 1 2 326.444 2.453 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ncccn1 ZINC001109628169 805790533 /nfs/dbraw/zinc/79/05/33/805790533.db2.gz CZSYOKVNORMCHG-YVSFHVDLSA-N 1 2 326.444 2.453 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001062239203 787700628 /nfs/dbraw/zinc/70/06/28/787700628.db2.gz SZZQIWVKSTUNNO-GDBMZVCRSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001062239203 787700632 /nfs/dbraw/zinc/70/06/32/787700632.db2.gz SZZQIWVKSTUNNO-GDBMZVCRSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3ccncc32)[C@@H](O)C1 ZINC001090692870 787797194 /nfs/dbraw/zinc/79/71/94/787797194.db2.gz OVLOOJJFHPOKNH-SJORKVTESA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc3ccncc32)[C@@H](O)C1 ZINC001090692870 787797201 /nfs/dbraw/zinc/79/72/01/787797201.db2.gz OVLOOJJFHPOKNH-SJORKVTESA-N 1 2 345.830 2.152 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001062316201 787879011 /nfs/dbraw/zinc/87/90/11/787879011.db2.gz QUTRVSYOZQBMOB-JKSUJKDBSA-N 1 2 346.475 2.360 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncsc2C(C)C)[C@@H](O)C1 ZINC001090719648 787907850 /nfs/dbraw/zinc/90/78/50/787907850.db2.gz QAIHJOMKPZOCFG-RYUDHWBXSA-N 1 2 343.880 2.184 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncsc2C(C)C)[C@@H](O)C1 ZINC001090719648 787907854 /nfs/dbraw/zinc/90/78/54/787907854.db2.gz QAIHJOMKPZOCFG-RYUDHWBXSA-N 1 2 343.880 2.184 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001062364019 787969336 /nfs/dbraw/zinc/96/93/36/787969336.db2.gz BZEHOYLHKDOPGV-OAHLLOKOSA-N 1 2 332.448 2.052 20 30 EEEDLO C[C@]1(CNC(=O)CC2CC2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107681971 788031545 /nfs/dbraw/zinc/03/15/45/788031545.db2.gz PAZFVKQNUNHKSH-IBGZPJMESA-N 1 2 327.428 2.065 20 30 EEEDLO C[C@]1(CNC(=O)CC2CC2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107681971 788031555 /nfs/dbraw/zinc/03/15/55/788031555.db2.gz PAZFVKQNUNHKSH-IBGZPJMESA-N 1 2 327.428 2.065 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001079011632 788056042 /nfs/dbraw/zinc/05/60/42/788056042.db2.gz QWECWILYQAJJPU-INIZCTEOSA-N 1 2 346.475 2.325 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3o2)[C@H](O)C1 ZINC001090782713 788236960 /nfs/dbraw/zinc/23/69/60/788236960.db2.gz HCSDWMWOEZZXIH-UONOGXRCSA-N 1 2 334.803 2.350 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3ccccc3o2)[C@H](O)C1 ZINC001090782713 788236965 /nfs/dbraw/zinc/23/69/65/788236965.db2.gz HCSDWMWOEZZXIH-UONOGXRCSA-N 1 2 334.803 2.350 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001079021373 788375414 /nfs/dbraw/zinc/37/54/14/788375414.db2.gz JDBORYOMFFICPR-MRXNPFEDSA-N 1 2 346.475 2.325 20 30 EEEDLO C[C@H](CNc1cccc(F)c1C#N)NC(=O)CCCn1cc[nH+]c1 ZINC001107808416 788488600 /nfs/dbraw/zinc/48/86/00/788488600.db2.gz FOWYBKXPGLRAPX-CYBMUJFWSA-N 1 2 329.379 2.291 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@H](O)C1 ZINC001090835727 788498890 /nfs/dbraw/zinc/49/88/90/788498890.db2.gz IHRRUMFCTFZMPQ-DLBZAZTESA-N 1 2 334.847 2.482 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@H](O)C1 ZINC001090835727 788498897 /nfs/dbraw/zinc/49/88/97/788498897.db2.gz IHRRUMFCTFZMPQ-DLBZAZTESA-N 1 2 334.847 2.482 20 30 EEEDLO C=CCCC(=O)NC[C@@]1(C)C[N@H+](CCOc2ccccc2)CCO1 ZINC001107804179 788511151 /nfs/dbraw/zinc/51/11/51/788511151.db2.gz LLSYSVJDBIJCDQ-IBGZPJMESA-N 1 2 332.444 2.239 20 30 EEEDLO C=CCCC(=O)NC[C@@]1(C)C[N@@H+](CCOc2ccccc2)CCO1 ZINC001107804179 788511160 /nfs/dbraw/zinc/51/11/60/788511160.db2.gz LLSYSVJDBIJCDQ-IBGZPJMESA-N 1 2 332.444 2.239 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccoc2C(C)C)[C@H](O)C1 ZINC001090839348 788517002 /nfs/dbraw/zinc/51/70/02/788517002.db2.gz KUCFNWXKOSFPHH-UONOGXRCSA-N 1 2 326.824 2.321 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccoc2C(C)C)[C@H](O)C1 ZINC001090839348 788517010 /nfs/dbraw/zinc/51/70/10/788517010.db2.gz KUCFNWXKOSFPHH-UONOGXRCSA-N 1 2 326.824 2.321 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(F)c(F)cc2F)C1 ZINC001108168287 788608322 /nfs/dbraw/zinc/60/83/22/788608322.db2.gz YSFIWPFJSYWOLP-INIZCTEOSA-N 1 2 328.334 2.111 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(F)c(F)cc2F)C1 ZINC001108168287 788608325 /nfs/dbraw/zinc/60/83/25/788608325.db2.gz YSFIWPFJSYWOLP-INIZCTEOSA-N 1 2 328.334 2.111 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H](C)C(F)(F)F)CC2)C1 ZINC001105721435 789248928 /nfs/dbraw/zinc/24/89/28/789248928.db2.gz BCNFRMNOAKSXQQ-GFCCVEGCSA-N 1 2 334.382 2.453 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3(CCOC)CCC3)CC2)C1 ZINC001105733670 789303981 /nfs/dbraw/zinc/30/39/81/789303981.db2.gz JBSXTLNHMNTWMV-UHFFFAOYSA-N 1 2 336.476 2.071 20 30 EEEDLO N#Cc1cccnc1NC[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001060288076 789632870 /nfs/dbraw/zinc/63/28/70/789632870.db2.gz RJRQMARMCNJYMK-MRXNPFEDSA-N 1 2 338.415 2.033 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ccon2)CC1 ZINC001006104447 789637726 /nfs/dbraw/zinc/63/77/26/789637726.db2.gz OTEFRYKYQCRPSG-ROUUACIJSA-N 1 2 347.459 2.469 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2oc3ccccc3c2COC)C1 ZINC000923591125 789824571 /nfs/dbraw/zinc/82/45/71/789824571.db2.gz OBYKQPSNIXTNDL-AWEZNQCLSA-N 1 2 326.396 2.407 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2oc3ccccc3c2COC)C1 ZINC000923591125 789824576 /nfs/dbraw/zinc/82/45/76/789824576.db2.gz OBYKQPSNIXTNDL-AWEZNQCLSA-N 1 2 326.396 2.407 20 30 EEEDLO C#Cc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)cc1 ZINC001144569726 789949418 /nfs/dbraw/zinc/94/94/18/789949418.db2.gz YFUTZJMIOPLWSY-QGZVFWFLSA-N 1 2 330.428 2.082 20 30 EEEDLO C#Cc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)cc1 ZINC001144569726 789949420 /nfs/dbraw/zinc/94/94/20/789949420.db2.gz YFUTZJMIOPLWSY-QGZVFWFLSA-N 1 2 330.428 2.082 20 30 EEEDLO CC(=O)N[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC2(CCOCC2)C1 ZINC001089911478 789973630 /nfs/dbraw/zinc/97/36/30/789973630.db2.gz MMPSHRVYMYFJBP-GOSISDBHSA-N 1 2 345.418 2.205 20 30 EEEDLO CC(=O)N[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC2(CCOCC2)C1 ZINC001089911478 789973635 /nfs/dbraw/zinc/97/36/35/789973635.db2.gz MMPSHRVYMYFJBP-GOSISDBHSA-N 1 2 345.418 2.205 20 30 EEEDLO COC(=O)c1scc(C#N)c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212351988 790190422 /nfs/dbraw/zinc/19/04/22/790190422.db2.gz BXGFKMPGILOGHA-UHFFFAOYSA-N 1 2 344.396 2.382 20 30 EEEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1Nc1cccc(F)c1C#N ZINC001063754334 791665529 /nfs/dbraw/zinc/66/55/29/791665529.db2.gz SBXYZSYNKJEHAZ-CJNGLKHVSA-N 1 2 341.390 2.243 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC1(CNC(=O)CCn2cc[nH+]c2)CCC1 ZINC001063788608 791732239 /nfs/dbraw/zinc/73/22/39/791732239.db2.gz PFCZSTRWIWXWQR-OAHLLOKOSA-N 1 2 332.448 2.031 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC1(NC(=O)CCc2c[nH+]cn2C)CCC1 ZINC001064105057 792409526 /nfs/dbraw/zinc/40/95/26/792409526.db2.gz XNYVOQKHBDKPFC-OAHLLOKOSA-N 1 2 346.475 2.110 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CC[C@H](C)N(c2nc(C)[nH+]c(C)c2C)C1 ZINC001089142470 792654513 /nfs/dbraw/zinc/65/45/13/792654513.db2.gz YKOVPPATPYDDFZ-GUYCJALGSA-N 1 2 346.475 2.468 20 30 EEEDLO N#Cc1cccnc1NC[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001109940629 806252580 /nfs/dbraw/zinc/25/25/80/806252580.db2.gz VMTYIKXWIOTFLR-OAHLLOKOSA-N 1 2 346.394 2.221 20 30 EEEDLO C[C@H](CC(=O)NCC1CC(Nc2ncccc2C#N)C1)n1cc[nH+]c1 ZINC001092268287 793735611 /nfs/dbraw/zinc/73/56/11/793735611.db2.gz PSZSQWMIPBFHHO-VQCLRJIVSA-N 1 2 338.415 2.108 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)CC1CCCCC1)c1nccn12 ZINC001092344924 793814904 /nfs/dbraw/zinc/81/49/04/793814904.db2.gz VDCRSISETVBJRJ-KRWDZBQOSA-N 1 2 340.471 2.449 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H](C)C2)n1 ZINC001064831895 793820168 /nfs/dbraw/zinc/82/01/68/793820168.db2.gz GXGXGSYQTXMAJR-UKRRQHHQSA-N 1 2 338.415 2.019 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)c(C)o1)c1nccn12 ZINC001092364195 793839174 /nfs/dbraw/zinc/83/91/74/793839174.db2.gz ZDOGIQJFBWDPNF-OAHLLOKOSA-N 1 2 338.411 2.002 20 30 EEEDLO CC(C)c1nc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)CC[C@@H]3C2)no1 ZINC000946517932 793855337 /nfs/dbraw/zinc/85/53/37/793855337.db2.gz MRKYPCMWYSWCIW-KFWWJZLASA-N 1 2 345.447 2.023 20 30 EEEDLO CC(C)c1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)CC[C@@H]3C2)no1 ZINC000946517932 793855345 /nfs/dbraw/zinc/85/53/45/793855345.db2.gz MRKYPCMWYSWCIW-KFWWJZLASA-N 1 2 345.447 2.023 20 30 EEEDLO Cc1cc(N2C[C@@H](CNC(=O)[C@@H](C)C#N)[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC001092336387 793858480 /nfs/dbraw/zinc/85/84/80/793858480.db2.gz JZFCDYATBIDRHF-YWPYICTPSA-N 1 2 327.432 2.011 20 30 EEEDLO 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/nfs/dbraw/zinc/01/49/23/794014923.db2.gz DIPWYGCZLRNMGR-WDEREUQCSA-N 1 2 348.777 2.443 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)Oc1cccc(C)c1 ZINC001032678770 794077326 /nfs/dbraw/zinc/07/73/26/794077326.db2.gz CFEYELYDNUJFRD-LNLFQRSKSA-N 1 2 326.440 2.461 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)Oc1cccc(C)c1 ZINC001032678770 794077335 /nfs/dbraw/zinc/07/73/35/794077335.db2.gz CFEYELYDNUJFRD-LNLFQRSKSA-N 1 2 326.440 2.461 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](Cc2cccc3cccnc32)C1 ZINC001030973501 794739436 /nfs/dbraw/zinc/73/94/36/794739436.db2.gz UBNVYFWTYLNBFG-MSOLQXFVSA-N 1 2 337.423 2.126 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]c(C(C)C)n3)C[C@H]21 ZINC001093282346 794951314 /nfs/dbraw/zinc/95/13/14/794951314.db2.gz OPUZYFITFJQRDY-LJIGWXMPSA-N 1 2 344.459 2.050 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3ccncc3C)CC2)C1 ZINC001093533474 795320099 /nfs/dbraw/zinc/32/00/99/795320099.db2.gz NQOIMBKAUGLDQS-UHFFFAOYSA-N 1 2 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N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cn3c(n2)CCCC3)CC1 ZINC001004448792 802069929 /nfs/dbraw/zinc/06/99/29/802069929.db2.gz FRISBLPHVKULTO-KRWDZBQOSA-N 1 2 341.459 2.060 20 30 EEEDLO CC(C)(C)n1ccc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004449936 802070953 /nfs/dbraw/zinc/07/09/53/802070953.db2.gz KWANXPASDCQPRN-QGZVFWFLSA-N 1 2 343.475 2.478 20 30 EEEDLO CC(C)(C)n1ccc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004449936 802070960 /nfs/dbraw/zinc/07/09/60/802070960.db2.gz KWANXPASDCQPRN-QGZVFWFLSA-N 1 2 343.475 2.478 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCc3cccnc32)CC1 ZINC001004520981 802281898 /nfs/dbraw/zinc/28/18/98/802281898.db2.gz DECOTZNVPPOZAZ-ROUUACIJSA-N 1 2 338.455 2.338 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCc3cccnc32)CC1 ZINC001004520981 802281901 /nfs/dbraw/zinc/28/19/01/802281901.db2.gz DECOTZNVPPOZAZ-ROUUACIJSA-N 1 2 338.455 2.338 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001033141198 802318703 /nfs/dbraw/zinc/31/87/03/802318703.db2.gz BUEBPVVVLGFELA-CYBMUJFWSA-N 1 2 345.834 2.371 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001033141198 802318711 /nfs/dbraw/zinc/31/87/11/802318711.db2.gz BUEBPVVVLGFELA-CYBMUJFWSA-N 1 2 345.834 2.371 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2Cc3ccncc3C2)CC1 ZINC001004546551 802344670 /nfs/dbraw/zinc/34/46/70/802344670.db2.gz IRFCEOWUKINNEF-HKUYNNGSSA-N 1 2 338.455 2.023 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2Cc3ccncc3C2)CC1 ZINC001004546551 802344677 /nfs/dbraw/zinc/34/46/77/802344677.db2.gz IRFCEOWUKINNEF-HKUYNNGSSA-N 1 2 338.455 2.023 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2oc(=O)n3C)C1 ZINC001033144124 802366205 /nfs/dbraw/zinc/36/62/05/802366205.db2.gz RTNOXYCRSISHHE-GFCCVEGCSA-N 1 2 349.818 2.030 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2oc(=O)n3C)C1 ZINC001033144124 802366211 /nfs/dbraw/zinc/36/62/11/802366211.db2.gz RTNOXYCRSISHHE-GFCCVEGCSA-N 1 2 349.818 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803073222 /nfs/dbraw/zinc/07/32/22/803073222.db2.gz SGLLQDYUQXXIFB-TZMCWYRMSA-N 1 2 336.867 2.364 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC001033202874 803185858 /nfs/dbraw/zinc/18/58/58/803185858.db2.gz ORIXKKHCVUKUTR-GFCCVEGCSA-N 1 2 346.818 2.234 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC001033202874 803185860 /nfs/dbraw/zinc/18/58/60/803185860.db2.gz ORIXKKHCVUKUTR-GFCCVEGCSA-N 1 2 346.818 2.234 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2c[nH]c3ccccc23)C1 ZINC001108380271 803406916 /nfs/dbraw/zinc/40/69/16/803406916.db2.gz NITQTGRNFBOHMM-HXUWFJFHSA-N 1 2 341.455 2.494 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCc2c[nH]c3ccccc23)C1 ZINC001108380271 803406918 /nfs/dbraw/zinc/40/69/18/803406918.db2.gz NITQTGRNFBOHMM-HXUWFJFHSA-N 1 2 341.455 2.494 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2sc(CCC)nc2C)C1 ZINC001108394661 803444971 /nfs/dbraw/zinc/44/49/71/803444971.db2.gz JKOACZJMYRENJK-QGZVFWFLSA-N 1 2 337.489 2.411 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2sc(CCC)nc2C)C1 ZINC001108394661 803444974 /nfs/dbraw/zinc/44/49/74/803444974.db2.gz JKOACZJMYRENJK-QGZVFWFLSA-N 1 2 337.489 2.411 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)c2ccccc2C)C1 ZINC001108415347 803503057 /nfs/dbraw/zinc/50/30/57/803503057.db2.gz HKJMTGZLHPSFIL-YLJYHZDGSA-N 1 2 328.456 2.329 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)c2ccccc2C)C1 ZINC001108415347 803503062 /nfs/dbraw/zinc/50/30/62/803503062.db2.gz HKJMTGZLHPSFIL-YLJYHZDGSA-N 1 2 328.456 2.329 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccc3oc(C)nc32)C1 ZINC001108428983 803542159 /nfs/dbraw/zinc/54/21/59/803542159.db2.gz DLBULHIECBPENM-SFHVURJKSA-N 1 2 329.400 2.143 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccc3oc(C)nc32)C1 ZINC001108428983 803542163 /nfs/dbraw/zinc/54/21/63/803542163.db2.gz DLBULHIECBPENM-SFHVURJKSA-N 1 2 329.400 2.143 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001108432656 803547692 /nfs/dbraw/zinc/54/76/92/803547692.db2.gz NIJDZDBYQARTFQ-RTWAWAEBSA-N 1 2 340.467 2.121 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001108432656 803547696 /nfs/dbraw/zinc/54/76/96/803547696.db2.gz NIJDZDBYQARTFQ-RTWAWAEBSA-N 1 2 340.467 2.121 20 30 EEEDLO Cc1cccn2cc(CC(=O)N[C@@H](C)CNc3ccc(C#N)nc3)[nH+]c12 ZINC001108443647 803594642 /nfs/dbraw/zinc/59/46/42/803594642.db2.gz VYUFADHLJYJVNT-AWEZNQCLSA-N 1 2 348.410 2.069 20 30 EEEDLO COC(=O)c1ccc(-c2ccc(N3CC[NH2+]C[C@@H]3C#N)nc2C)cc1 ZINC001156328054 803807893 /nfs/dbraw/zinc/80/78/93/803807893.db2.gz ZQTCXDJHBLUMEC-INIZCTEOSA-N 1 2 336.395 2.145 20 30 EEEDLO Cc1cc(N(C)C[C@H](C)NC(=O)c2c[nH]c(C#N)c2)nc(C2CC2)[nH+]1 ZINC001108941143 804715307 /nfs/dbraw/zinc/71/53/07/804715307.db2.gz PSCCCDBHGRQBJW-LBPRGKRZSA-N 1 2 338.415 2.117 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)CN(C)c3ccc(C#N)nc3)ccn12 ZINC001109100773 804941117 /nfs/dbraw/zinc/94/11/17/804941117.db2.gz SYBRWAKEEZXQHL-CYBMUJFWSA-N 1 2 348.410 2.164 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H](C)CN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001109220349 805150954 /nfs/dbraw/zinc/15/09/54/805150954.db2.gz XRQWXTJBUDSXHN-KUHUBIRLSA-N 1 2 345.491 2.008 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H](C)CN(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001109220349 805150959 /nfs/dbraw/zinc/15/09/59/805150959.db2.gz XRQWXTJBUDSXHN-KUHUBIRLSA-N 1 2 345.491 2.008 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001109284290 805240365 /nfs/dbraw/zinc/24/03/65/805240365.db2.gz PYDHTWQDVRUWFA-JLZZUVOBSA-N 1 2 346.475 2.324 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC(C)=C(C)C1)C2 ZINC001109318448 805288173 /nfs/dbraw/zinc/28/81/73/805288173.db2.gz YKOYAXBSJAVNMO-MHORFTMASA-N 1 2 345.487 2.147 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC(C)=C(C)C1)C2 ZINC001109318448 805288176 /nfs/dbraw/zinc/28/81/76/805288176.db2.gz YKOYAXBSJAVNMO-MHORFTMASA-N 1 2 345.487 2.147 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCC1 ZINC001109350677 805338211 /nfs/dbraw/zinc/33/82/11/805338211.db2.gz AOYCXBMHTMXWOY-IKGGRYGDSA-N 1 2 333.476 2.123 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCC1 ZINC001109350677 805338221 /nfs/dbraw/zinc/33/82/21/805338221.db2.gz AOYCXBMHTMXWOY-IKGGRYGDSA-N 1 2 333.476 2.123 20 30 EEEDLO C=CCOCC(=O)N1CCC[C@H]([C@H]2CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001112811580 807336721 /nfs/dbraw/zinc/33/67/21/807336721.db2.gz RBBWQQDHYKYUSA-IRXDYDNUSA-N 1 2 344.459 2.053 20 30 EEEDLO O=C(C#CC1CC1)N1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC001112831993 807356789 /nfs/dbraw/zinc/35/67/89/807356789.db2.gz ACHVYWPQWSJNGP-UHFFFAOYSA-N 1 2 330.403 2.152 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC001112846617 807404348 /nfs/dbraw/zinc/40/43/48/807404348.db2.gz UKBHTVWAOXTCET-MRXNPFEDSA-N 1 2 348.874 2.455 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC1CC(CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001112862975 807478663 /nfs/dbraw/zinc/47/86/63/807478663.db2.gz HRRWMUJPMWZKHM-UHFFFAOYSA-N 1 2 346.479 2.155 20 30 EEEDLO Cc1nc(N[C@H](C)[C@@H](C)NC(=O)CSCC#N)c2c([nH+]1)CCCC2 ZINC001112910898 807594598 /nfs/dbraw/zinc/59/45/98/807594598.db2.gz KWFGFHDIBIXDHV-VXGBXAGGSA-N 1 2 347.488 2.226 20 30 EEEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccccc1SCC#N ZINC000790138492 808427975 /nfs/dbraw/zinc/42/79/75/808427975.db2.gz ZAXXGZYFOXLSAM-AWEZNQCLSA-N 1 2 333.457 2.095 20 30 EEEDLO C=CCC1(C(=O)N2CC[NH+](CCc3cnn(CC)c3)CC2)CCC1 ZINC001113312882 808705164 /nfs/dbraw/zinc/70/51/64/808705164.db2.gz WADZKVHYJJFVKR-UHFFFAOYSA-N 1 2 330.476 2.336 20 30 EEEDLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H](C)Nc1ncc(C#N)cc1Cl ZINC001113351970 808812362 /nfs/dbraw/zinc/81/23/62/808812362.db2.gz KWJXHLKSKOQRDB-MNOVXSKESA-N 1 2 346.822 2.268 20 30 EEEDLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H](C)Nc1ncc(C#N)cc1Cl ZINC001113351970 808812370 /nfs/dbraw/zinc/81/23/70/808812370.db2.gz KWJXHLKSKOQRDB-MNOVXSKESA-N 1 2 346.822 2.268 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)C2(Cc3ccc(F)cc3)CC2)CC1 ZINC001113412257 808906613 /nfs/dbraw/zinc/90/66/13/808906613.db2.gz OEXQVIMMJFPIIV-UHFFFAOYSA-N 1 2 346.446 2.495 20 30 EEEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000790929023 808982493 /nfs/dbraw/zinc/98/24/93/808982493.db2.gz KYJAAGFRRVKDIX-AWEZNQCLSA-N 1 2 333.313 2.385 20 30 EEEDLO CN(CC(C)(C)CNc1ncccc1C#N)C(=O)CCn1cc[nH+]c1 ZINC001113446062 809000236 /nfs/dbraw/zinc/00/02/36/809000236.db2.gz GJVDXCVLGUJDBW-UHFFFAOYSA-N 1 2 340.431 2.137 20 30 EEEDLO C=CCOc1cccnc1C(=O)N1CC[NH+](CCOCCCC)CC1 ZINC001113519905 809124501 /nfs/dbraw/zinc/12/45/01/809124501.db2.gz COAWGRMUEWNLFL-UHFFFAOYSA-N 1 2 347.459 2.221 20 30 EEEDLO C=CCCOCC(=O)NC[C@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001113639288 809421953 /nfs/dbraw/zinc/42/19/53/809421953.db2.gz AKTHKGJJWSLZTB-AWEZNQCLSA-N 1 2 332.448 2.196 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](CCOC2CCCCCC2)CC1 ZINC001113712847 809618233 /nfs/dbraw/zinc/61/82/33/809618233.db2.gz GXYVMPAUBBAVGU-QGZVFWFLSA-N 1 2 338.492 2.461 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)N(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001113821862 809851143 /nfs/dbraw/zinc/85/11/43/809851143.db2.gz IHRLHQJZADODEQ-LSDHHAIUSA-N 1 2 345.491 2.008 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)N(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001113821862 809851148 /nfs/dbraw/zinc/85/11/48/809851148.db2.gz IHRLHQJZADODEQ-LSDHHAIUSA-N 1 2 345.491 2.008 20 30 EEEDLO C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)N(C)c1ccc(C#N)nc1 ZINC001113970800 810131881 /nfs/dbraw/zinc/13/18/81/810131881.db2.gz YFGFFLMVIQGJOD-LBPRGKRZSA-N 1 2 334.383 2.084 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2C(NC(=O)/C=C/C3CC3)[C@@H]2C1 ZINC001114114300 810387803 /nfs/dbraw/zinc/38/78/03/810387803.db2.gz NFVCDQMDNBSLKR-NVICLEHISA-N 1 2 325.387 2.210 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2C(NC(=O)/C=C/C3CC3)[C@@H]2C1 ZINC001114114300 810387810 /nfs/dbraw/zinc/38/78/10/810387810.db2.gz NFVCDQMDNBSLKR-NVICLEHISA-N 1 2 325.387 2.210 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114160515 810477255 /nfs/dbraw/zinc/47/72/55/810477255.db2.gz ZKWUECXAJFIYFR-RUYXUALKSA-N 1 2 339.414 2.437 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114160515 810477260 /nfs/dbraw/zinc/47/72/60/810477260.db2.gz ZKWUECXAJFIYFR-RUYXUALKSA-N 1 2 339.414 2.437 20 30 EEEDLO CCCC[C@H](CNc1cc[nH+]c(C)n1)NC(=O)c1cc(C#N)c[nH]1 ZINC001114230126 810643597 /nfs/dbraw/zinc/64/35/97/810643597.db2.gz ONARADOQFQCGGD-CQSZACIVSA-N 1 2 326.404 2.386 20 30 EEEDLO CCCC[C@H](CNc1ccc(C#N)cn1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001114245022 810671561 /nfs/dbraw/zinc/67/15/61/810671561.db2.gz IDPGRFVFHIULJQ-OAHLLOKOSA-N 1 2 340.431 2.396 20 30 EEEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1snnc1C ZINC001157908150 811144618 /nfs/dbraw/zinc/14/46/18/811144618.db2.gz LZOHFVSAKZRZSC-OAHLLOKOSA-N 1 2 334.489 2.463 20 30 EEEDLO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1snnc1C ZINC001157908150 811144623 /nfs/dbraw/zinc/14/46/23/811144623.db2.gz LZOHFVSAKZRZSC-OAHLLOKOSA-N 1 2 334.489 2.463 20 30 EEEDLO C=CCCCC(=O)NCc1nc([C@@H]2C[N@H+](CCF)C[C@H]2C2CC2)n[nH]1 ZINC001130173398 811274625 /nfs/dbraw/zinc/27/46/25/811274625.db2.gz OZUSCXCCTSIILL-LSDHHAIUSA-N 1 2 349.454 2.172 20 30 EEEDLO C=CCCCC(=O)NCc1nc([C@@H]2C[N@@H+](CCF)C[C@H]2C2CC2)n[nH]1 ZINC001130173398 811274628 /nfs/dbraw/zinc/27/46/28/811274628.db2.gz OZUSCXCCTSIILL-LSDHHAIUSA-N 1 2 349.454 2.172 20 30 EEEDLO Cn1c[nH+]cc1COC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000805889946 811613125 /nfs/dbraw/zinc/61/31/25/811613125.db2.gz VWFGIEMFUMZMQU-CYBMUJFWSA-N 1 2 328.347 2.001 20 30 EEEDLO C#CCCCCC(=O)N1C[C@@H](C)O[C@]2(CC[N@H+](Cc3ccon3)C2)C1 ZINC001131648916 813074947 /nfs/dbraw/zinc/07/49/47/813074947.db2.gz BORTUWIHCNGQHA-APWZRJJASA-N 1 2 345.443 2.060 20 30 EEEDLO C#CCCCCC(=O)N1C[C@@H](C)O[C@]2(CC[N@@H+](Cc3ccon3)C2)C1 ZINC001131648916 813074957 /nfs/dbraw/zinc/07/49/57/813074957.db2.gz BORTUWIHCNGQHA-APWZRJJASA-N 1 2 345.443 2.060 20 30 EEEDLO COCc1nc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)cs1 ZINC001437566420 1090044285 /nfs/dbraw/zinc/04/42/85/1090044285.db2.gz QAHVZKYZWQMANR-UHFFFAOYSA-N 1 2 344.440 2.023 20 30 EEEDLO COCc1nc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)cs1 ZINC001437566420 1090044298 /nfs/dbraw/zinc/04/42/98/1090044298.db2.gz QAHVZKYZWQMANR-UHFFFAOYSA-N 1 2 344.440 2.023 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cn(C)nc1-c1ccoc1 ZINC001437619751 1090129616 /nfs/dbraw/zinc/12/96/16/1090129616.db2.gz XCAYIGURKUYELU-UHFFFAOYSA-N 1 2 336.823 2.484 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cn(C)nc1-c1ccoc1 ZINC001437619751 1090129618 /nfs/dbraw/zinc/12/96/18/1090129618.db2.gz XCAYIGURKUYELU-UHFFFAOYSA-N 1 2 336.823 2.484 20 30 EEEDLO Cc1cnoc1C(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001437805279 1090392857 /nfs/dbraw/zinc/39/28/57/1090392857.db2.gz BABZXVQNKWAPGT-UHFFFAOYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cnoc1C(=O)NCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001437805279 1090392863 /nfs/dbraw/zinc/39/28/63/1090392863.db2.gz BABZXVQNKWAPGT-UHFFFAOYSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)COc2cccc(OC)c2)C1 ZINC001438019069 1090607990 /nfs/dbraw/zinc/60/79/90/1090607990.db2.gz AZODPHYHKMWUSQ-CQSZACIVSA-N 1 2 338.835 2.407 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)COc2cccc(OC)c2)C1 ZINC001438019069 1090607996 /nfs/dbraw/zinc/60/79/96/1090607996.db2.gz AZODPHYHKMWUSQ-CQSZACIVSA-N 1 2 338.835 2.407 20 30 EEEDLO CC(F)(F)CC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001438191484 1090690381 /nfs/dbraw/zinc/69/03/81/1090690381.db2.gz FCUGNRVJUUNFFC-ZDUSSCGKSA-N 1 2 325.334 2.433 20 30 EEEDLO CC(F)(F)CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001438191484 1090690386 /nfs/dbraw/zinc/69/03/86/1090690386.db2.gz FCUGNRVJUUNFFC-ZDUSSCGKSA-N 1 2 325.334 2.433 20 30 EEEDLO C[C@@H](C#N)C(=O)N(C)CC[N@H+](C)Cc1coc(-c2cccs2)n1 ZINC001438861784 1091496291 /nfs/dbraw/zinc/49/62/91/1091496291.db2.gz CFADVVLWEBNGKN-LBPRGKRZSA-N 1 2 332.429 2.453 20 30 EEEDLO C[C@@H](C#N)C(=O)N(C)CC[N@@H+](C)Cc1coc(-c2cccs2)n1 ZINC001438861784 1091496294 /nfs/dbraw/zinc/49/62/94/1091496294.db2.gz CFADVVLWEBNGKN-LBPRGKRZSA-N 1 2 332.429 2.453 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1c(OC)cccc1OC ZINC001445765771 1091618338 /nfs/dbraw/zinc/61/83/38/1091618338.db2.gz IOHIFFBJWGCLFJ-ZDUSSCGKSA-N 1 2 340.851 2.435 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1c(OC)cccc1OC ZINC001445765771 1091618343 /nfs/dbraw/zinc/61/83/43/1091618343.db2.gz IOHIFFBJWGCLFJ-ZDUSSCGKSA-N 1 2 340.851 2.435 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CC2(C)CC2)cc1C#N ZINC001439541019 1092407026 /nfs/dbraw/zinc/40/70/26/1092407026.db2.gz UEIZWBAZNZWTSD-MRXNPFEDSA-N 1 2 327.428 2.448 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CC2(C)CC2)cc1C#N ZINC001439541019 1092407031 /nfs/dbraw/zinc/40/70/31/1092407031.db2.gz UEIZWBAZNZWTSD-MRXNPFEDSA-N 1 2 327.428 2.448 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)Cc2cc(C)on2)C1 ZINC001439838302 1092841699 /nfs/dbraw/zinc/84/16/99/1092841699.db2.gz UCGUFAWZVXIXKO-CQSZACIVSA-N 1 2 342.237 2.015 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2cc(C)on2)C1 ZINC001439838302 1092841705 /nfs/dbraw/zinc/84/17/05/1092841705.db2.gz UCGUFAWZVXIXKO-CQSZACIVSA-N 1 2 342.237 2.015 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CCCCO1 ZINC001496685570 1101285391 /nfs/dbraw/zinc/28/53/91/1101285391.db2.gz TVFBFCASSNAEMO-KRWDZBQOSA-N 1 2 333.407 2.157 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CCCCO1 ZINC001496685570 1101285397 /nfs/dbraw/zinc/28/53/97/1101285397.db2.gz TVFBFCASSNAEMO-KRWDZBQOSA-N 1 2 333.407 2.157 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H](O)C(C)C)C1 ZINC001493946728 1103144181 /nfs/dbraw/zinc/14/41/81/1103144181.db2.gz JYOLBKHEJHHWQZ-ZIAGYGMSSA-N 1 2 347.297 2.225 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](O)C(C)C)C1 ZINC001493946728 1103144188 /nfs/dbraw/zinc/14/41/88/1103144188.db2.gz JYOLBKHEJHHWQZ-ZIAGYGMSSA-N 1 2 347.297 2.225 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(-n2cccn2)nc1 ZINC001448070405 1103938439 /nfs/dbraw/zinc/93/84/39/1103938439.db2.gz KZSLUGFWCWJORH-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(-n2cccn2)nc1 ZINC001448070405 1103938443 /nfs/dbraw/zinc/93/84/43/1103938443.db2.gz KZSLUGFWCWJORH-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO COCC[N@H+](CCNC(=O)[C@H](C)C#N)[C@@H](C)c1nc2ccccc2o1 ZINC001508044173 1115400095 /nfs/dbraw/zinc/40/00/95/1115400095.db2.gz WMZQOLOFZSIBEH-KGLIPLIRSA-N 1 2 344.415 2.113 20 30 EEEDLO COCC[N@@H+](CCNC(=O)[C@H](C)C#N)[C@@H](C)c1nc2ccccc2o1 ZINC001508044173 1115400096 /nfs/dbraw/zinc/40/00/96/1115400096.db2.gz WMZQOLOFZSIBEH-KGLIPLIRSA-N 1 2 344.415 2.113 20 30 EEEDLO C=CCN(CCOC)c1nnc([C@@H]2CCCC[N@@H+]2C)n1CC1CC1 ZINC001527058694 1120646964 /nfs/dbraw/zinc/64/69/64/1120646964.db2.gz NTJXTDRBSHAPQK-INIZCTEOSA-N 1 2 333.480 2.484 20 30 EEEDLO C=CCN(CCOC)c1nnc([C@@H]2CCCC[N@H+]2C)n1CC1CC1 ZINC001527058694 1120646967 /nfs/dbraw/zinc/64/69/67/1120646967.db2.gz NTJXTDRBSHAPQK-INIZCTEOSA-N 1 2 333.480 2.484 20 30 EEEDLO N#Cc1cccc(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000054530415 214243506 /nfs/dbraw/zinc/24/35/06/214243506.db2.gz DPXYFOKHNYGRGN-UHFFFAOYSA-N 1 2 338.386 2.458 20 30 EEEDLO CCCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000101913882 219172210 /nfs/dbraw/zinc/17/22/10/219172210.db2.gz IKCRNIKGMFNIMQ-ZDUSSCGKSA-N 1 2 348.472 2.187 20 30 EEEDLO CCCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000101913882 219172211 /nfs/dbraw/zinc/17/22/11/219172211.db2.gz IKCRNIKGMFNIMQ-ZDUSSCGKSA-N 1 2 348.472 2.187 20 30 EEEDLO C[C@H](CNC(=O)NC[C@H]1SCCc2ccccc21)[NH+]1CCOCC1 ZINC000330180036 539788941 /nfs/dbraw/zinc/78/89/41/539788941.db2.gz FRLXUWVCBUGRHL-RHSMWYFYSA-N 1 2 349.500 2.241 20 30 EEEDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)CC1(C#N)CCC1 ZINC000349587808 238192270 /nfs/dbraw/zinc/19/22/70/238192270.db2.gz OIMXBHDNQXPNEC-INIZCTEOSA-N 1 2 347.484 2.216 20 30 EEEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)CC1(C#N)CCC1 ZINC000349587808 238192272 /nfs/dbraw/zinc/19/22/72/238192272.db2.gz OIMXBHDNQXPNEC-INIZCTEOSA-N 1 2 347.484 2.216 20 30 EEEDLO N#CCc1cccc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000455935945 244113054 /nfs/dbraw/zinc/11/30/54/244113054.db2.gz BTCRSPGLQWWOOX-UHFFFAOYSA-N 1 2 335.411 2.497 20 30 EEEDLO CC#CCC[NH+]1CCN(S(=O)(=O)c2ccc(CCC)cc2)CC1 ZINC000462329822 245340560 /nfs/dbraw/zinc/34/05/60/245340560.db2.gz ZUZNUSPMEHZGMG-UHFFFAOYSA-N 1 2 334.485 2.359 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)NCCc2ccccc2)n1 ZINC000491671820 246105283 /nfs/dbraw/zinc/10/52/83/246105283.db2.gz SKNDJBSGNNOITO-KRWDZBQOSA-N 1 2 338.455 2.086 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NCCc2ccccc2)n1 ZINC000491671820 246105287 /nfs/dbraw/zinc/10/52/87/246105287.db2.gz SKNDJBSGNNOITO-KRWDZBQOSA-N 1 2 338.455 2.086 20 30 EEEDLO C#CCCOc1ccc(C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000093392570 218221762 /nfs/dbraw/zinc/22/17/62/218221762.db2.gz KRWKKMGAVWOFAD-HNNXBMFYSA-N 1 2 335.469 2.486 20 30 EEEDLO C#CCCOc1ccc(C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000093392570 218221764 /nfs/dbraw/zinc/22/17/64/218221764.db2.gz KRWKKMGAVWOFAD-HNNXBMFYSA-N 1 2 335.469 2.486 20 30 EEEDLO COC(=O)c1ccccc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000271023220 256199520 /nfs/dbraw/zinc/19/95/20/256199520.db2.gz CDBZXRXNLVEZER-UHFFFAOYSA-N 1 2 336.395 2.062 20 30 EEEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000275892128 256386190 /nfs/dbraw/zinc/38/61/90/256386190.db2.gz HVNGELZKLNQJGQ-DVBCCOPCSA-N 1 2 347.422 2.094 20 30 EEEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000275892128 256386192 /nfs/dbraw/zinc/38/61/92/256386192.db2.gz HVNGELZKLNQJGQ-DVBCCOPCSA-N 1 2 347.422 2.094 20 30 EEEDLO C#C[C@H](C)N(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000491406121 533281517 /nfs/dbraw/zinc/28/15/17/533281517.db2.gz LZOWSNWLDZNRQB-JQFCIGGWSA-N 1 2 349.862 2.375 20 30 EEEDLO C#C[C@H](C)N(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000491406121 533281521 /nfs/dbraw/zinc/28/15/21/533281521.db2.gz LZOWSNWLDZNRQB-JQFCIGGWSA-N 1 2 349.862 2.375 20 30 EEEDLO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000051180043 132179949 /nfs/dbraw/zinc/17/99/49/132179949.db2.gz WJLURHDDIUQDHW-HNNXBMFYSA-N 1 2 344.434 2.220 20 30 EEEDLO CCOc1cc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)ccc1OC ZINC000115600378 152033762 /nfs/dbraw/zinc/03/37/62/152033762.db2.gz LWDGHWCXLTVUMS-GOSISDBHSA-N 1 2 339.395 2.282 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000352302736 153046357 /nfs/dbraw/zinc/04/63/57/153046357.db2.gz NOURUCIZSFATDS-HNNXBMFYSA-N 1 2 330.413 2.030 20 30 EEEDLO CCCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554462 159252610 /nfs/dbraw/zinc/25/26/10/159252610.db2.gz VZXUOOGONYTALN-INIZCTEOSA-N 1 2 328.460 2.375 20 30 EEEDLO Cc1cc[nH+]c(N2CCN([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000119956186 159383269 /nfs/dbraw/zinc/38/32/69/159383269.db2.gz ZSPLHGPEZZEBHD-MRXNPFEDSA-N 1 2 349.438 2.411 20 30 EEEDLO COc1ccc(C[NH2+]Cc2nc(N(C)C)no2)cc1OCCCC#N ZINC000191898537 533677422 /nfs/dbraw/zinc/67/74/22/533677422.db2.gz YUBUSWRKMFWMPE-UHFFFAOYSA-N 1 2 345.403 2.117 20 30 EEEDLO CCOC(=O)N1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000194870185 160201738 /nfs/dbraw/zinc/20/17/38/160201738.db2.gz GGYSWOMSACXNFD-CQSZACIVSA-N 1 2 344.415 2.049 20 30 EEEDLO CCOC(=O)N1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000194870185 160201740 /nfs/dbraw/zinc/20/17/40/160201740.db2.gz GGYSWOMSACXNFD-CQSZACIVSA-N 1 2 344.415 2.049 20 30 EEEDLO CCOC(=O)N1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000194870346 160201943 /nfs/dbraw/zinc/20/19/43/160201943.db2.gz INCBJRBRZRZFIB-CQSZACIVSA-N 1 2 344.415 2.049 20 30 EEEDLO CCOC(=O)N1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000194870346 160201944 /nfs/dbraw/zinc/20/19/44/160201944.db2.gz INCBJRBRZRZFIB-CQSZACIVSA-N 1 2 344.415 2.049 20 30 EEEDLO CCc1c[nH+]ccc1NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000355509285 163214631 /nfs/dbraw/zinc/21/46/31/163214631.db2.gz AAQBARHEJKKKMQ-GOSISDBHSA-N 1 2 348.406 2.067 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CC(=O)NCC(=O)c1ccc(C#N)cc1 ZINC000356160415 163353310 /nfs/dbraw/zinc/35/33/10/163353310.db2.gz YMGMWKIOKZVIKS-UHFFFAOYSA-N 1 2 332.363 2.216 20 30 EEEDLO COc1cc(C#N)ccc1C[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000360319334 164283391 /nfs/dbraw/zinc/28/33/91/164283391.db2.gz VKCKXMVUQXQEMI-UHFFFAOYSA-N 1 2 330.432 2.193 20 30 EEEDLO COC(=O)C1=C(C)O[C@@H](C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000374865619 167054452 /nfs/dbraw/zinc/05/44/52/167054452.db2.gz RVJSSDNVCCLILT-SJLPKXTDSA-N 1 2 342.395 2.167 20 30 EEEDLO COC(=O)C1=C(C)O[C@@H](C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000374865619 167054457 /nfs/dbraw/zinc/05/44/57/167054457.db2.gz RVJSSDNVCCLILT-SJLPKXTDSA-N 1 2 342.395 2.167 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000376543869 167348021 /nfs/dbraw/zinc/34/80/21/167348021.db2.gz WWKSDJDEFZKOMB-SFHVURJKSA-N 1 2 336.395 2.183 20 30 EEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000376543869 167348023 /nfs/dbraw/zinc/34/80/23/167348023.db2.gz WWKSDJDEFZKOMB-SFHVURJKSA-N 1 2 336.395 2.183 20 30 EEEDLO C[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000287842099 267218853 /nfs/dbraw/zinc/21/88/53/267218853.db2.gz LXMGPAGYNWCTAO-XHDPSFHLSA-N 1 2 326.360 2.333 20 30 EEEDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000275047603 269088363 /nfs/dbraw/zinc/08/83/63/269088363.db2.gz ZIBQKFHIKMYIKG-DZGCQCFKSA-N 1 2 332.400 2.219 20 30 EEEDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000275047603 269088364 /nfs/dbraw/zinc/08/83/64/269088364.db2.gz ZIBQKFHIKMYIKG-DZGCQCFKSA-N 1 2 332.400 2.219 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(C4CC4)on3)CC2)cc1 ZINC000292040999 275366816 /nfs/dbraw/zinc/36/68/16/275366816.db2.gz XTPZMRYBCSTUBY-UHFFFAOYSA-N 1 2 336.395 2.382 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000361375733 277342095 /nfs/dbraw/zinc/34/20/95/277342095.db2.gz DOHLYXNAKQABIU-SJLPKXTDSA-N 1 2 338.411 2.385 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000361375733 277342096 /nfs/dbraw/zinc/34/20/96/277342096.db2.gz DOHLYXNAKQABIU-SJLPKXTDSA-N 1 2 338.411 2.385 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1ccc(Br)cc1 ZINC000493866779 289204215 /nfs/dbraw/zinc/20/42/15/289204215.db2.gz DKHHVFWLOZPKBU-WUKHSURWSA-N 1 2 336.233 2.422 20 30 EEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)[C@@H](C)C[N@@H+]1C ZINC000451364435 297063028 /nfs/dbraw/zinc/06/30/28/297063028.db2.gz WBJHPTJCPBDULM-NEPJUHHUSA-N 1 2 341.864 2.119 20 30 EEEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)[C@@H](C)C[N@H+]1C ZINC000451364435 297063030 /nfs/dbraw/zinc/06/30/30/297063030.db2.gz WBJHPTJCPBDULM-NEPJUHHUSA-N 1 2 341.864 2.119 20 30 EEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000540942393 318086308 /nfs/dbraw/zinc/08/63/08/318086308.db2.gz RXQMRKCJARIDGU-UHFFFAOYSA-N 1 2 338.820 2.167 20 30 EEEDLO COC(=O)[C@H]([NH2+]CCOc1ccccc1C#N)[C@H]1CCC[C@@H](OC)C1 ZINC000573124230 319907104 /nfs/dbraw/zinc/90/71/04/319907104.db2.gz WCASTAHTNDHPFD-YXJHDRRASA-N 1 2 346.427 2.273 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nn(CC)nc3C)[C@@H]2CC)C1 ZINC001087717480 782121263 /nfs/dbraw/zinc/12/12/63/782121263.db2.gz FCXBWUFVUVSCOF-DOTOQJQBSA-N 1 2 345.491 2.432 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nn(CC)nc3C)[C@@H]2CC)C1 ZINC001087717480 782121268 /nfs/dbraw/zinc/12/12/68/782121268.db2.gz FCXBWUFVUVSCOF-DOTOQJQBSA-N 1 2 345.491 2.432 20 30 EEEDLO O=C(Nc1cccc(N2CCNC2=O)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328910481 465165440 /nfs/dbraw/zinc/16/54/40/465165440.db2.gz FPYUGPWAWFLOIW-LBPRGKRZSA-N 1 2 325.372 2.468 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)C1=O ZINC000337169665 465225869 /nfs/dbraw/zinc/22/58/69/465225869.db2.gz DREJRCMDCHRXBA-HZPDHXFCSA-N 1 2 347.846 2.164 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)C1=O ZINC000337169665 465225874 /nfs/dbraw/zinc/22/58/74/465225874.db2.gz DREJRCMDCHRXBA-HZPDHXFCSA-N 1 2 347.846 2.164 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(F)cc2Cl)C1=O ZINC000337199183 465238418 /nfs/dbraw/zinc/23/84/18/465238418.db2.gz AQMOTLFSXHHYCR-AWEZNQCLSA-N 1 2 339.798 2.136 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(F)cc2Cl)C1=O ZINC000337199183 465238423 /nfs/dbraw/zinc/23/84/23/465238423.db2.gz AQMOTLFSXHHYCR-AWEZNQCLSA-N 1 2 339.798 2.136 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(F)cc2F)C1=O ZINC000337199750 465239623 /nfs/dbraw/zinc/23/96/23/465239623.db2.gz BFGORDPVKJHQLS-XHDPSFHLSA-N 1 2 337.370 2.011 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(F)cc2F)C1=O ZINC000337199750 465239629 /nfs/dbraw/zinc/23/96/29/465239629.db2.gz BFGORDPVKJHQLS-XHDPSFHLSA-N 1 2 337.370 2.011 20 30 EEEDLO C=CCCCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000355760743 465269571 /nfs/dbraw/zinc/26/95/71/465269571.db2.gz XYNGVPRXHFNHOY-KRWDZBQOSA-N 1 2 346.475 2.490 20 30 EEEDLO C=CCCCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000355760743 465269580 /nfs/dbraw/zinc/26/95/80/465269580.db2.gz XYNGVPRXHFNHOY-KRWDZBQOSA-N 1 2 346.475 2.490 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000341997241 465284002 /nfs/dbraw/zinc/28/40/02/465284002.db2.gz WNRWTUJIHZDORA-LBPRGKRZSA-N 1 2 336.823 2.314 20 30 EEEDLO N#Cc1c(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cn2ccccc12 ZINC000060480995 462552530 /nfs/dbraw/zinc/55/25/30/462552530.db2.gz UUKGOFPNVUEGML-UHFFFAOYSA-N 1 2 342.406 2.400 20 30 EEEDLO COc1ccc([C@H](NC(=O)N(C)C[C@H](C)C#N)c2[nH+]ccn2C)cc1 ZINC000045312267 462576963 /nfs/dbraw/zinc/57/69/63/462576963.db2.gz XLDMSSVZDAGLDE-CJNGLKHVSA-N 1 2 341.415 2.319 20 30 EEEDLO Cn1cccc1C(O)=CONC(=[NH2+])c1ccc(NC(C)(C)C)cn1 ZINC000128326075 462628937 /nfs/dbraw/zinc/62/89/37/462628937.db2.gz PWCKBEKFFFLXRD-UHFFFAOYSA-N 1 2 329.404 2.150 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000153487490 462656151 /nfs/dbraw/zinc/65/61/51/462656151.db2.gz PQANBAIHYXGMOL-GFCCVEGCSA-N 1 2 325.815 2.292 20 30 EEEDLO N#C[C@H]1CC[C@@H](NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)C1 ZINC000579104955 468310844 /nfs/dbraw/zinc/31/08/44/468310844.db2.gz UQWDQXQYBPFBJA-UONOGXRCSA-N 1 2 333.461 2.053 20 30 EEEDLO N#C[C@H]1CC[C@@H](NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)C1 ZINC000579104955 468310848 /nfs/dbraw/zinc/31/08/48/468310848.db2.gz UQWDQXQYBPFBJA-UONOGXRCSA-N 1 2 333.461 2.053 20 30 EEEDLO CC[N@@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)C[C@@H](C)C#N ZINC000064249236 462690673 /nfs/dbraw/zinc/69/06/73/462690673.db2.gz WWERPEHDKQBYFR-WMLDXEAASA-N 1 2 333.407 2.207 20 30 EEEDLO CC[N@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)C[C@@H](C)C#N ZINC000064249236 462690679 /nfs/dbraw/zinc/69/06/79/462690679.db2.gz WWERPEHDKQBYFR-WMLDXEAASA-N 1 2 333.407 2.207 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000064480679 462705654 /nfs/dbraw/zinc/70/56/54/462705654.db2.gz ATIPRPDYHPPEST-CQSZACIVSA-N 1 2 349.862 2.179 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000064480679 462705658 /nfs/dbraw/zinc/70/56/58/462705658.db2.gz ATIPRPDYHPPEST-CQSZACIVSA-N 1 2 349.862 2.179 20 30 EEEDLO C#CCNC(=O)C1CC[NH+](Cc2c(Cl)cccc2C(=O)OC)CC1 ZINC000491181215 468315785 /nfs/dbraw/zinc/31/57/85/468315785.db2.gz RCFKCVARKGBUGF-UHFFFAOYSA-N 1 2 348.830 2.088 20 30 EEEDLO Cc1noc(C)c1CN1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000065544763 462795121 /nfs/dbraw/zinc/79/51/21/462795121.db2.gz SWFLAUVRWUZMAX-UHFFFAOYSA-N 1 2 340.427 2.360 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000065544763 462795125 /nfs/dbraw/zinc/79/51/25/462795125.db2.gz SWFLAUVRWUZMAX-UHFFFAOYSA-N 1 2 340.427 2.360 20 30 EEEDLO Cc1ccc(-c2n[nH]cc2CN(CCC#N)CC[NH+]2CCOCC2)o1 ZINC000154744078 462803510 /nfs/dbraw/zinc/80/35/10/462803510.db2.gz SEQNBYONDXZQOA-UHFFFAOYSA-N 1 2 343.431 2.026 20 30 EEEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)NC1CCOCC1 ZINC000076154015 462816139 /nfs/dbraw/zinc/81/61/39/462816139.db2.gz UTAZPXVLHJYJOY-MSOLQXFVSA-N 1 2 327.428 2.053 20 30 EEEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)NC1CCOCC1 ZINC000076154015 462816141 /nfs/dbraw/zinc/81/61/41/462816141.db2.gz UTAZPXVLHJYJOY-MSOLQXFVSA-N 1 2 327.428 2.053 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000076227039 462826602 /nfs/dbraw/zinc/82/66/02/462826602.db2.gz HVTQXYDICDXIBH-MRXNPFEDSA-N 1 2 332.444 2.321 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000066308097 462873335 /nfs/dbraw/zinc/87/33/35/462873335.db2.gz QYIBYALLNGAIGX-INIZCTEOSA-N 1 2 327.428 2.184 20 30 EEEDLO CC(C)[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000120373166 462991937 /nfs/dbraw/zinc/99/19/37/462991937.db2.gz VDHMXCNEZGXPDU-RDJZCZTQSA-N 1 2 348.443 2.254 20 30 EEEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000120408043 462995669 /nfs/dbraw/zinc/99/56/69/462995669.db2.gz USTHXSCKYLBODB-QGZVFWFLSA-N 1 2 330.476 2.185 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN([C@H](C)c2cccnc2)CC1 ZINC000120408043 462995673 /nfs/dbraw/zinc/99/56/73/462995673.db2.gz USTHXSCKYLBODB-QGZVFWFLSA-N 1 2 330.476 2.185 20 30 EEEDLO C#CCSCCNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000120540111 463010012 /nfs/dbraw/zinc/01/00/12/463010012.db2.gz XQTNWRQEOLAEML-CQSZACIVSA-N 1 2 341.427 2.233 20 30 EEEDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2nncs2)C1 ZINC000051051009 463018176 /nfs/dbraw/zinc/01/81/76/463018176.db2.gz GUSGAMKROHJBFM-NWDGAFQWSA-N 1 2 339.465 2.143 20 30 EEEDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000051051009 463018180 /nfs/dbraw/zinc/01/81/80/463018180.db2.gz GUSGAMKROHJBFM-NWDGAFQWSA-N 1 2 339.465 2.143 20 30 EEEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000134357635 463029076 /nfs/dbraw/zinc/02/90/76/463029076.db2.gz VLEYXSWUICMDIP-MRXNPFEDSA-N 1 2 340.876 2.094 20 30 EEEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000134357635 463029077 /nfs/dbraw/zinc/02/90/77/463029077.db2.gz VLEYXSWUICMDIP-MRXNPFEDSA-N 1 2 340.876 2.094 20 30 EEEDLO C#CCN(CC#C)C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000120710514 463030148 /nfs/dbraw/zinc/03/01/48/463030148.db2.gz WDHXUCFWOILVIN-UHFFFAOYSA-N 1 2 347.418 2.252 20 30 EEEDLO CCCC[N@H+](CC(N)=O)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000051923269 463054260 /nfs/dbraw/zinc/05/42/60/463054260.db2.gz UURHDCPUDNCPAU-UHFFFAOYSA-N 1 2 344.459 2.138 20 30 EEEDLO CCCC[N@@H+](CC(N)=O)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000051923269 463054262 /nfs/dbraw/zinc/05/42/62/463054262.db2.gz UURHDCPUDNCPAU-UHFFFAOYSA-N 1 2 344.459 2.138 20 30 EEEDLO N#Cc1ccsc1NC(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000023376300 463066487 /nfs/dbraw/zinc/06/64/87/463066487.db2.gz VBTOVBKHRGMGPZ-UHFFFAOYSA-N 1 2 346.481 2.438 20 30 EEEDLO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078269222 463097549 /nfs/dbraw/zinc/09/75/49/463097549.db2.gz PDWROHIECZYFHC-RDJZCZTQSA-N 1 2 328.460 2.172 20 30 EEEDLO CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000121571087 463160012 /nfs/dbraw/zinc/16/00/12/463160012.db2.gz WBXIEPZUVNOFBH-WMZOPIPTSA-N 1 2 328.460 2.124 20 30 EEEDLO CC[C@@H](C)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(=O)OC(C)(C)C ZINC000136345961 463236275 /nfs/dbraw/zinc/23/62/75/463236275.db2.gz CAOXILSSSDSMPL-ACJLOTCBSA-N 1 2 337.464 2.237 20 30 EEEDLO CC[C@@H](C)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(=O)OC(C)(C)C ZINC000136345961 463236280 /nfs/dbraw/zinc/23/62/80/463236280.db2.gz CAOXILSSSDSMPL-ACJLOTCBSA-N 1 2 337.464 2.237 20 30 EEEDLO Cc1oc(NC(=O)CN2CC[NH+](Cc3ccco3)CC2)c(C#N)c1C ZINC000054616579 463249458 /nfs/dbraw/zinc/24/94/58/463249458.db2.gz YCJJMGXKKABQQQ-UHFFFAOYSA-N 1 2 342.399 2.117 20 30 EEEDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)CCCCC#N ZINC000122486371 463267983 /nfs/dbraw/zinc/26/79/83/463267983.db2.gz ANBGBEPIXIMDKS-INIZCTEOSA-N 1 2 335.473 2.216 20 30 EEEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)CCCCC#N ZINC000122486371 463267987 /nfs/dbraw/zinc/26/79/87/463267987.db2.gz ANBGBEPIXIMDKS-INIZCTEOSA-N 1 2 335.473 2.216 20 30 EEEDLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055172596 463291956 /nfs/dbraw/zinc/29/19/56/463291956.db2.gz ZCLJGWZFRWPXRM-KRWDZBQOSA-N 1 2 342.487 2.227 20 30 EEEDLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055172596 463291959 /nfs/dbraw/zinc/29/19/59/463291959.db2.gz ZCLJGWZFRWPXRM-KRWDZBQOSA-N 1 2 342.487 2.227 20 30 EEEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000080907371 463365051 /nfs/dbraw/zinc/36/50/51/463365051.db2.gz KVBTYRJPHLHMCX-IBGZPJMESA-N 1 2 334.423 2.168 20 30 EEEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000081121899 463397131 /nfs/dbraw/zinc/39/71/31/463397131.db2.gz LEOZEMFSBUYRJM-VQTJNVASSA-N 1 2 346.434 2.401 20 30 EEEDLO C#CCN(CC)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000056740990 463419531 /nfs/dbraw/zinc/41/95/31/463419531.db2.gz JJUDSOFRBBKHRM-SFHVURJKSA-N 1 2 329.444 2.033 20 30 EEEDLO Cc1ccc(C)c(N2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)c1 ZINC000164613904 463628507 /nfs/dbraw/zinc/62/85/07/463628507.db2.gz KHMUJZPBLJTZRA-QGZVFWFLSA-N 1 2 328.460 2.186 20 30 EEEDLO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000170647005 463688221 /nfs/dbraw/zinc/68/82/21/463688221.db2.gz LJULYTPKJQWXTJ-ZIAGYGMSSA-N 1 2 332.423 2.123 20 30 EEEDLO N#Cc1ccc(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1F ZINC000590947198 468379232 /nfs/dbraw/zinc/37/92/32/468379232.db2.gz HRGMNJNSSNBVCN-HNNXBMFYSA-N 1 2 327.363 2.441 20 30 EEEDLO N#CCCCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000171730926 463915421 /nfs/dbraw/zinc/91/54/21/463915421.db2.gz JERJMYQXEZIHOV-QGZVFWFLSA-N 1 2 330.432 2.053 20 30 EEEDLO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2nnc(C)o2)c(OC)c1 ZINC000542611460 468386276 /nfs/dbraw/zinc/38/62/76/468386276.db2.gz FZIVLDGLSYKQHW-WFASDCNBSA-N 1 2 347.415 2.206 20 30 EEEDLO C=CCC[C@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)c1ccccc1 ZINC000269379988 463971089 /nfs/dbraw/zinc/97/10/89/463971089.db2.gz XDUUAAKVDMZYEP-ROUUACIJSA-N 1 2 330.476 2.239 20 30 EEEDLO C=CCC[C@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)c1ccccc1 ZINC000269379988 463971095 /nfs/dbraw/zinc/97/10/95/463971095.db2.gz XDUUAAKVDMZYEP-ROUUACIJSA-N 1 2 330.476 2.239 20 30 EEEDLO CC(C)c1[nH+]c2c(n1C)CCN(c1cc(N)c([N+](=O)[O-])c(C#N)c1)C2 ZINC000283734037 463989625 /nfs/dbraw/zinc/98/96/25/463989625.db2.gz IDXJFZQQFKDOSB-UHFFFAOYSA-N 1 2 340.387 2.468 20 30 EEEDLO N#CCOc1cccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000269869864 464116641 /nfs/dbraw/zinc/11/66/41/464116641.db2.gz RPUFWKISNFMBIQ-OAHLLOKOSA-N 1 2 337.383 2.384 20 30 EEEDLO N#CC1(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CCOCC1 ZINC000279588687 464117049 /nfs/dbraw/zinc/11/70/49/464117049.db2.gz UCFCRRSYHLBDNB-UHFFFAOYSA-N 1 2 342.443 2.246 20 30 EEEDLO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cncc(C#N)c3)c2C1 ZINC000290926690 464137570 /nfs/dbraw/zinc/13/75/70/464137570.db2.gz JCRFSYDVPCZOOX-UHFFFAOYSA-N 1 2 342.424 2.478 20 30 EEEDLO CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cncc(C#N)c3)c2C1 ZINC000290926690 464137572 /nfs/dbraw/zinc/13/75/72/464137572.db2.gz JCRFSYDVPCZOOX-UHFFFAOYSA-N 1 2 342.424 2.478 20 30 EEEDLO COCc1ccc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)o1 ZINC000291497275 464155796 /nfs/dbraw/zinc/15/57/96/464155796.db2.gz HDMMJMIGGJJOJQ-UHFFFAOYSA-N 1 2 332.429 2.385 20 30 EEEDLO CC(=O)Nc1nc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292191653 464168745 /nfs/dbraw/zinc/16/87/45/464168745.db2.gz NELUYJXMJIZLTE-CQSZACIVSA-N 1 2 343.412 2.021 20 30 EEEDLO CC(=O)Nc1nc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292191653 464168752 /nfs/dbraw/zinc/16/87/52/464168752.db2.gz NELUYJXMJIZLTE-CQSZACIVSA-N 1 2 343.412 2.021 20 30 EEEDLO CCCN1CC[N@H+](CCC(=O)Nc2sccc2C#N)C(C)(C)C1=O ZINC000187872774 464170422 /nfs/dbraw/zinc/17/04/22/464170422.db2.gz QAZBXOUPNOLQRN-UHFFFAOYSA-N 1 2 348.472 2.281 20 30 EEEDLO CCCN1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C(C)(C)C1=O ZINC000187872774 464170426 /nfs/dbraw/zinc/17/04/26/464170426.db2.gz QAZBXOUPNOLQRN-UHFFFAOYSA-N 1 2 348.472 2.281 20 30 EEEDLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(C(=O)CCCC#N)CC1 ZINC000292354702 464205835 /nfs/dbraw/zinc/20/58/35/464205835.db2.gz CJCLUFWNEHZZKK-UHFFFAOYSA-N 1 2 339.443 2.289 20 30 EEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000280719443 464239789 /nfs/dbraw/zinc/23/97/89/464239789.db2.gz BYNMNMVNLXZXKX-CRAIPNDOSA-N 1 2 331.464 2.484 20 30 EEEDLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284589298 464253594 /nfs/dbraw/zinc/25/35/94/464253594.db2.gz XUQWSOLUJSUUFY-FZMZJTMJSA-N 1 2 339.823 2.327 20 30 EEEDLO C[C@H]([C@H](C)NC(=O)N[C@@H](C)c1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000264209250 464290145 /nfs/dbraw/zinc/29/01/45/464290145.db2.gz GPAMBTBOWKFQAR-SOUVJXGZSA-N 1 2 330.432 2.028 20 30 EEEDLO CCc1ccc(C#CC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000292784711 464341749 /nfs/dbraw/zinc/34/17/49/464341749.db2.gz METYBWCVHHJPLO-UHFFFAOYSA-N 1 2 333.435 2.340 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NCc2ccc(Cl)cc2)C1=O ZINC000281237181 464381840 /nfs/dbraw/zinc/38/18/40/464381840.db2.gz FTNPDZBLEUOFTK-BBRMVZONSA-N 1 2 349.862 2.063 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NCc2ccc(Cl)cc2)C1=O ZINC000281237181 464381842 /nfs/dbraw/zinc/38/18/42/464381842.db2.gz FTNPDZBLEUOFTK-BBRMVZONSA-N 1 2 349.862 2.063 20 30 EEEDLO Cc1ncccc1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000284915471 464390724 /nfs/dbraw/zinc/39/07/24/464390724.db2.gz IEKZFIIAFNOOEY-UHFFFAOYSA-N 1 2 334.423 2.149 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N2c3ccccc3CC[C@H]2C)C1=O ZINC000281301498 464406604 /nfs/dbraw/zinc/40/66/04/464406604.db2.gz JXJJCCZTYSJPLR-CRAIPNDOSA-N 1 2 341.455 2.073 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N2c3ccccc3CC[C@H]2C)C1=O ZINC000281301498 464406610 /nfs/dbraw/zinc/40/66/10/464406610.db2.gz JXJJCCZTYSJPLR-CRAIPNDOSA-N 1 2 341.455 2.073 20 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/nfs/dbraw/zinc/40/57/11/468405711.db2.gz ZHONWZXQIPDCTE-IUODEOHRSA-N 1 2 349.397 2.020 20 30 EEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)c1cccnc1C#N ZINC000281836677 464603835 /nfs/dbraw/zinc/60/38/35/464603835.db2.gz XMYKRCMUUROPAC-CQSZACIVSA-N 1 2 345.428 2.086 20 30 EEEDLO C#CCSCCNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000265768348 464679691 /nfs/dbraw/zinc/67/96/91/464679691.db2.gz LLUIEZKKNNUUKU-UHFFFAOYSA-N 1 2 328.441 2.097 20 30 EEEDLO COc1cc(C#N)ccc1OCCO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000266166706 464767855 /nfs/dbraw/zinc/76/78/55/464767855.db2.gz AYNQWQROKQNZSJ-ZDUSSCGKSA-N 1 2 335.404 2.296 20 30 EEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc(Br)cc1C ZINC000183173868 464815237 /nfs/dbraw/zinc/81/52/37/464815237.db2.gz PKQQXPMUGKTGST-UHFFFAOYSA-N 1 2 342.237 2.461 20 30 EEEDLO CCC1(O)CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000266725515 464800705 /nfs/dbraw/zinc/80/07/05/464800705.db2.gz IWIRXZPWHCJRKY-UHFFFAOYSA-N 1 2 333.457 2.478 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000176960592 464895023 /nfs/dbraw/zinc/89/50/23/464895023.db2.gz DVCOLSWVORBWOG-UHFFFAOYSA-N 1 2 341.455 2.198 20 30 EEEDLO Cn1cncc1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000177031003 464911308 /nfs/dbraw/zinc/91/13/08/464911308.db2.gz UUAYUNSHYUWNSE-UHFFFAOYSA-N 1 2 332.411 2.162 20 30 EEEDLO Cn1c[nH+]cc1CN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000177031003 464911313 /nfs/dbraw/zinc/91/13/13/464911313.db2.gz UUAYUNSHYUWNSE-UHFFFAOYSA-N 1 2 332.411 2.162 20 30 EEEDLO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)(C)C(N)=O ZINC000295838848 464981327 /nfs/dbraw/zinc/98/13/27/464981327.db2.gz ZKRIBDURKRHUPO-UHFFFAOYSA-N 1 2 348.472 2.023 20 30 EEEDLO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)(C)C(N)=O ZINC000295838848 464981332 /nfs/dbraw/zinc/98/13/32/464981332.db2.gz ZKRIBDURKRHUPO-UHFFFAOYSA-N 1 2 348.472 2.023 20 30 EEEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)CC(C)(C)CC#N)C1 ZINC000295860804 464989613 /nfs/dbraw/zinc/98/96/13/464989613.db2.gz FCQDFHLBKQFMHL-UHFFFAOYSA-N 1 2 335.473 2.072 20 30 EEEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)CC(C)(C)CC#N)C1 ZINC000295860804 464989617 /nfs/dbraw/zinc/98/96/17/464989617.db2.gz FCQDFHLBKQFMHL-UHFFFAOYSA-N 1 2 335.473 2.072 20 30 EEEDLO C#CC[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)c1ccccc1 ZINC000286698312 465008748 /nfs/dbraw/zinc/00/87/48/465008748.db2.gz LKUDKXCPCZPEDX-QRQLOZEOSA-N 1 2 341.455 2.256 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CCS(=O)(=O)[C@@H]3C2)c(C(F)(F)F)c1 ZINC000356341538 465324233 /nfs/dbraw/zinc/32/42/33/465324233.db2.gz KQVGFHUMSKBRPU-TZMCWYRMSA-N 1 2 344.358 2.196 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CCS(=O)(=O)[C@@H]3C2)c(C(F)(F)F)c1 ZINC000356341538 465324236 /nfs/dbraw/zinc/32/42/36/465324236.db2.gz KQVGFHUMSKBRPU-TZMCWYRMSA-N 1 2 344.358 2.196 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2nncn2C)c1 ZINC000358789962 465324740 /nfs/dbraw/zinc/32/47/40/465324740.db2.gz JWDBDPQXTNCFDO-OAHLLOKOSA-N 1 2 340.431 2.029 20 30 EEEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356346827 465329005 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C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000329946292 465483255 /nfs/dbraw/zinc/48/32/55/465483255.db2.gz GHKGNUBJCDLZNI-BVGQSLNGSA-N 1 2 340.427 2.226 20 30 EEEDLO C[C@H](C(=O)Nc1cccc2ncccc21)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329946292 465483260 /nfs/dbraw/zinc/48/32/60/465483260.db2.gz GHKGNUBJCDLZNI-BVGQSLNGSA-N 1 2 340.427 2.226 20 30 EEEDLO C[C@H](C(=O)Nc1cccc2ncccc21)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329946292 465483262 /nfs/dbraw/zinc/48/32/62/465483262.db2.gz GHKGNUBJCDLZNI-BVGQSLNGSA-N 1 2 340.427 2.226 20 30 EEEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@@]2(CCCOC2)O1 ZINC000330097254 465531948 /nfs/dbraw/zinc/53/19/48/465531948.db2.gz ANZLUZLVBZKLEN-SCLBCKFNSA-N 1 2 348.399 2.273 20 30 EEEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@@]2(CCCOC2)O1 ZINC000330097254 465531952 /nfs/dbraw/zinc/53/19/52/465531952.db2.gz ANZLUZLVBZKLEN-SCLBCKFNSA-N 1 2 348.399 2.273 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(Cl)cc2C)CC1 ZINC000352560445 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ZINC000592152889 468640938 /nfs/dbraw/zinc/64/09/38/468640938.db2.gz GGNINDIYLXAECH-AWEZNQCLSA-N 1 2 336.189 2.441 20 30 EEEDLO C[C@@H](C#N)N(C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000598129690 468774755 /nfs/dbraw/zinc/77/47/55/468774755.db2.gz XRCZBPXKNGCRMO-GJZGRUSLSA-N 1 2 344.434 2.239 20 30 EEEDLO CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000571408605 468784512 /nfs/dbraw/zinc/78/45/12/468784512.db2.gz VBPRJBSGWFSAPA-YVEFUNNKSA-N 1 2 348.472 2.086 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000593153415 468888310 /nfs/dbraw/zinc/88/83/10/468888310.db2.gz OBKCQQUJIRYYTN-ZDUSSCGKSA-N 1 2 344.293 2.187 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cn[nH]c2)c1 ZINC000610487691 468982795 /nfs/dbraw/zinc/98/27/95/468982795.db2.gz RVIHZRUWYSIUIG-UHFFFAOYSA-N 1 2 325.416 2.405 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)Cc2cn[nH]c2)c1 ZINC000610487691 468982799 /nfs/dbraw/zinc/98/27/99/468982799.db2.gz RVIHZRUWYSIUIG-UHFFFAOYSA-N 1 2 325.416 2.405 20 30 EEEDLO COCCN(CCC#N)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000610558709 469002145 /nfs/dbraw/zinc/00/21/45/469002145.db2.gz OPBFTWJODUKLIT-UHFFFAOYSA-N 1 2 327.388 2.481 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000595866155 469052705 /nfs/dbraw/zinc/05/27/05/469052705.db2.gz FKJQRXGKCXUESU-XNJJOIOASA-N 1 2 339.386 2.031 20 30 EEEDLO COC(=O)[C@H]([NH2+]CCOc1ccc(C#N)cc1)[C@H]1CCC[C@@H](OC)C1 ZINC000573690143 469187992 /nfs/dbraw/zinc/18/79/92/469187992.db2.gz WPYFHCATCBTJLL-CGTJXYLNSA-N 1 2 346.427 2.273 20 30 EEEDLO CC[C@@H]1CN(c2cc(C)[nH+]c(N3CCO[C@H](CC)C3)c2C#N)CCO1 ZINC000589102761 469194611 /nfs/dbraw/zinc/19/46/11/469194611.db2.gz CGFPGIXAWHLIOX-HZPDHXFCSA-N 1 2 344.459 2.492 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@](F)(C#N)C1)c1ccccc1 ZINC000615531355 469255940 /nfs/dbraw/zinc/25/59/40/469255940.db2.gz KIOWHDWEOWXLIS-YOEHRIQHSA-N 1 2 327.363 2.157 20 30 EEEDLO CC(C)(C)OC(=O)C(C)(C)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000599649628 469324036 /nfs/dbraw/zinc/32/40/36/469324036.db2.gz BYHWWOSEWYEIGZ-AWEZNQCLSA-N 1 2 334.416 2.008 20 30 EEEDLO N#Cc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000596797490 469361827 /nfs/dbraw/zinc/36/18/27/469361827.db2.gz ULUWCTIULLRHHT-CYBMUJFWSA-N 1 2 334.807 2.150 20 30 EEEDLO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612164867 469408896 /nfs/dbraw/zinc/40/88/96/469408896.db2.gz HMNGGDQKEYKFEO-WMZOPIPTSA-N 1 2 331.416 2.010 20 30 EEEDLO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612164867 469408899 /nfs/dbraw/zinc/40/88/99/469408899.db2.gz HMNGGDQKEYKFEO-WMZOPIPTSA-N 1 2 331.416 2.010 20 30 EEEDLO Cc1ccc(NC(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)c(C)[nH+]1 ZINC000618881419 469460779 /nfs/dbraw/zinc/46/07/79/469460779.db2.gz KZQVIZDDMDHROY-KRWDZBQOSA-N 1 2 334.379 2.312 20 30 EEEDLO C=CCOc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1OC ZINC000623299320 469615382 /nfs/dbraw/zinc/61/53/82/469615382.db2.gz WDZCSKBDWKEECC-CQSZACIVSA-N 1 2 327.384 2.201 20 30 EEEDLO COC(=O)c1cccc(C[N@H+](CCO)Cc2cccc(F)c2)c1C#N ZINC000617260692 469631662 /nfs/dbraw/zinc/63/16/62/469631662.db2.gz MHJJZFAYNOAESU-UHFFFAOYSA-N 1 2 342.370 2.478 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+](CCO)Cc2cccc(F)c2)c1C#N ZINC000617260692 469631663 /nfs/dbraw/zinc/63/16/63/469631663.db2.gz MHJJZFAYNOAESU-UHFFFAOYSA-N 1 2 342.370 2.478 20 30 EEEDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)CCO1 ZINC000619620552 469652632 /nfs/dbraw/zinc/65/26/32/469652632.db2.gz GQJASSTWFCGSMH-OAHLLOKOSA-N 1 2 338.448 2.129 20 30 EEEDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CCO1 ZINC000619620552 469652634 /nfs/dbraw/zinc/65/26/34/469652634.db2.gz GQJASSTWFCGSMH-OAHLLOKOSA-N 1 2 338.448 2.129 20 30 EEEDLO COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131320 469893711 /nfs/dbraw/zinc/89/37/11/469893711.db2.gz MXTAEZRYHKVWJA-HNNXBMFYSA-N 1 2 340.383 2.006 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N(C)C2CCC(C)CC2)CC1 ZINC000609538846 469936919 /nfs/dbraw/zinc/93/69/19/469936919.db2.gz YYTUFXSXEIDOQJ-ABHNRTSZSA-N 1 2 334.508 2.189 20 30 EEEDLO N#CCC[C@@H](C#N)CN1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609575000 469942635 /nfs/dbraw/zinc/94/26/35/469942635.db2.gz QUUOFZXRVFCWOK-YJBOKZPZSA-N 1 2 346.862 2.435 20 30 EEEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2cn[nH]c2C)c(OC)c1 ZINC000639966334 470737230 /nfs/dbraw/zinc/73/72/30/470737230.db2.gz ATIPZRBEEBFFNQ-KRWDZBQOSA-N 1 2 345.443 2.327 20 30 EEEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2cn[nH]c2C)c(OC)c1 ZINC000639966334 470737232 /nfs/dbraw/zinc/73/72/32/470737232.db2.gz ATIPZRBEEBFFNQ-KRWDZBQOSA-N 1 2 345.443 2.327 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(C(C)C)cc(=O)c2O)C1=O ZINC000663834421 471539930 /nfs/dbraw/zinc/53/99/30/471539930.db2.gz SKYPUAMWGIEEMW-INIZCTEOSA-N 1 2 330.428 2.095 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(C(C)C)cc(=O)c2O)C1=O ZINC000663834421 471539936 /nfs/dbraw/zinc/53/99/36/471539936.db2.gz SKYPUAMWGIEEMW-INIZCTEOSA-N 1 2 330.428 2.095 20 30 EEEDLO C=CC[C@@H]1CCC[N@@H+](Cc2nnc3n2c2ccsc2c(=O)n3C)C1 ZINC000661381926 471734692 /nfs/dbraw/zinc/73/46/92/471734692.db2.gz QEHPKYHCWAGHAT-GFCCVEGCSA-N 1 2 343.456 2.431 20 30 EEEDLO C=CC[C@@H]1CCC[N@H+](Cc2nnc3n2c2ccsc2c(=O)n3C)C1 ZINC000661381926 471734696 /nfs/dbraw/zinc/73/46/96/471734696.db2.gz QEHPKYHCWAGHAT-GFCCVEGCSA-N 1 2 343.456 2.431 20 30 EEEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ncc[nH]2)c(OC)c1 ZINC000660144298 471880409 /nfs/dbraw/zinc/88/04/09/471880409.db2.gz SCLWAWVQIYALBI-HNNXBMFYSA-N 1 2 331.416 2.019 20 30 EEEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ncc[nH]2)c(OC)c1 ZINC000660144298 471880415 /nfs/dbraw/zinc/88/04/15/471880415.db2.gz SCLWAWVQIYALBI-HNNXBMFYSA-N 1 2 331.416 2.019 20 30 EEEDLO C=CCc1ccc(OC[C@@H](O)CN(C)Cc2[nH]cc[nH+]2)c(OC)c1 ZINC000660144298 471880421 /nfs/dbraw/zinc/88/04/21/471880421.db2.gz SCLWAWVQIYALBI-HNNXBMFYSA-N 1 2 331.416 2.019 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)cn1)c1ccccc1F ZINC000522679630 485513238 /nfs/dbraw/zinc/51/32/38/485513238.db2.gz WTRSGGGQHAOYOK-MRXNPFEDSA-N 1 2 335.342 2.345 20 30 EEEDLO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595634066 485607463 /nfs/dbraw/zinc/60/74/63/485607463.db2.gz VZDDDYHEGUJFOR-CQSZACIVSA-N 1 2 332.473 2.143 20 30 EEEDLO C#CCOc1ccccc1C[N@@H+](CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000179614048 527124599 /nfs/dbraw/zinc/12/45/99/527124599.db2.gz OWIYSVHRWDKVJW-KRWDZBQOSA-N 1 2 335.469 2.488 20 30 EEEDLO C#CCOc1ccccc1C[N@H+](CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000179614048 527124604 /nfs/dbraw/zinc/12/46/04/527124604.db2.gz OWIYSVHRWDKVJW-KRWDZBQOSA-N 1 2 335.469 2.488 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)cn1 ZINC000728802647 576530522 /nfs/dbraw/zinc/53/05/22/576530522.db2.gz CGTYFRQGZHJVEY-KRWDZBQOSA-N 1 2 334.354 2.455 20 30 EEEDLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000730806064 577058248 /nfs/dbraw/zinc/05/82/48/577058248.db2.gz MIMCLVPEUBFMMJ-KRWDZBQOSA-N 1 2 340.471 2.471 20 30 EEEDLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1CC(=O)NCCC#N ZINC000731845277 577127464 /nfs/dbraw/zinc/12/74/64/577127464.db2.gz UDCPVMYGNXSHBB-INIZCTEOSA-N 1 2 325.416 2.130 20 30 EEEDLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1CC(=O)NCCC#N ZINC000731845277 577127466 /nfs/dbraw/zinc/12/74/66/577127466.db2.gz UDCPVMYGNXSHBB-INIZCTEOSA-N 1 2 325.416 2.130 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)O[C@@H]2CCCc3ccccc3C2=O)CC1 ZINC000772113020 577252196 /nfs/dbraw/zinc/25/21/96/577252196.db2.gz IAQJRMWJKUJKBQ-GOSISDBHSA-N 1 2 325.408 2.463 20 30 EEEDLO C#C[C@H](NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)[C@H]1CCCO1 ZINC000772879213 577303141 /nfs/dbraw/zinc/30/31/41/577303141.db2.gz FYHTTWGJYDGVAX-JKSUJKDBSA-N 1 2 343.452 2.173 20 30 EEEDLO C=CC[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccncc1 ZINC000734668976 577317454 /nfs/dbraw/zinc/31/74/54/577317454.db2.gz KCJAFDFYBXUUAY-UXLLHSPISA-N 1 2 332.448 2.107 20 30 EEEDLO C#CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1)c1ccccc1 ZINC000775399224 577436632 /nfs/dbraw/zinc/43/66/32/577436632.db2.gz AMKMGBZDRINSBH-INIZCTEOSA-N 1 2 332.425 2.384 20 30 EEEDLO CC(C)(C)NC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000775722458 577443882 /nfs/dbraw/zinc/44/38/82/577443882.db2.gz ZLZSJNQAPYINBI-UHFFFAOYSA-N 1 2 330.432 2.215 20 30 EEEDLO C[N@H+](CCOC(C)(C)C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000767904197 577547006 /nfs/dbraw/zinc/54/70/06/577547006.db2.gz HUKWCUITQFQMSS-UHFFFAOYSA-N 1 2 328.416 2.167 20 30 EEEDLO C[N@@H+](CCOC(C)(C)C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000767904197 577547007 /nfs/dbraw/zinc/54/70/07/577547007.db2.gz HUKWCUITQFQMSS-UHFFFAOYSA-N 1 2 328.416 2.167 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cnc(N3CCCC3)nc2)c1 ZINC000768915290 577565604 /nfs/dbraw/zinc/56/56/04/577565604.db2.gz DQLBZEBNVMCGTR-UHFFFAOYSA-N 1 2 349.438 2.129 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cnc(N3CCCC3)nc2)c1 ZINC000768915290 577565605 /nfs/dbraw/zinc/56/56/05/577565605.db2.gz DQLBZEBNVMCGTR-UHFFFAOYSA-N 1 2 349.438 2.129 20 30 EEEDLO C#Cc1ccc(C(=O)Nc2cc(C)nn2-c2cc(C)[nH+]c(C)n2)nc1 ZINC000769695290 577582404 /nfs/dbraw/zinc/58/24/04/577582404.db2.gz BJDSISSDUDHCRH-UHFFFAOYSA-N 1 2 332.367 2.216 20 30 EEEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000759772995 577649922 /nfs/dbraw/zinc/64/99/22/577649922.db2.gz CQVFMIFQISNHOF-AWEZNQCLSA-N 1 2 336.867 2.387 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000759772995 577649923 /nfs/dbraw/zinc/64/99/23/577649923.db2.gz CQVFMIFQISNHOF-AWEZNQCLSA-N 1 2 336.867 2.387 20 30 EEEDLO CCOc1cccc(CNC(=O)CO[NH+]=C(N)c2ccc(F)cc2)c1 ZINC000762665038 577705544 /nfs/dbraw/zinc/70/55/44/577705544.db2.gz RGRSMOPAABJTRV-UHFFFAOYSA-N 1 2 345.374 2.178 20 30 EEEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cccc2[nH+]ccn21 ZINC000763766459 577726016 /nfs/dbraw/zinc/72/60/16/577726016.db2.gz HSYSVWNNMKLJMH-UHFFFAOYSA-N 1 2 343.350 2.347 20 30 EEEDLO COCC#CCO[NH+]=C(N)c1cccc(OCc2cccnc2)c1 ZINC000764207638 577732900 /nfs/dbraw/zinc/73/29/00/577732900.db2.gz CQHOSAQTRFYJBH-UHFFFAOYSA-N 1 2 325.368 2.157 20 30 EEEDLO Cc1cccn2c(C=NN3C(=O)N[C@@](C)(c4ccccc4)C3=O)c[nH+]c12 ZINC000755543880 577826666 /nfs/dbraw/zinc/82/66/66/577826666.db2.gz VFDSJLIQFDHGGR-IBGZPJMESA-N 1 2 347.378 2.444 20 30 EEEDLO N#Cc1ccccc1N1CC[NH+](CN2C(=O)[C@@H]3CCCCC[C@H]32)CC1 ZINC000749949125 577984329 /nfs/dbraw/zinc/98/43/29/577984329.db2.gz VMVJTOBWCHGYMF-IEBWSBKVSA-N 1 2 338.455 2.429 20 30 EEEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000741148021 578113805 /nfs/dbraw/zinc/11/38/05/578113805.db2.gz NSGIWJGWKSFQPE-CZUORRHYSA-N 1 2 329.400 2.303 20 30 EEEDLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000741148021 578113806 /nfs/dbraw/zinc/11/38/06/578113806.db2.gz NSGIWJGWKSFQPE-CZUORRHYSA-N 1 2 329.400 2.303 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000736170770 578184242 /nfs/dbraw/zinc/18/42/42/578184242.db2.gz IHVFFQIUAVDPAW-FHWLQOOXSA-N 1 2 342.439 2.405 20 30 EEEDLO 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1195623518 /nfs/dbraw/zinc/62/35/18/1195623518.db2.gz JGYHCLGIAIXFNM-AWEZNQCLSA-N 1 2 339.871 2.456 20 30 EEEDLO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(P(C)(C)=O)cc2)C1 ZINC001034048417 1195701307 /nfs/dbraw/zinc/70/13/07/1195701307.db2.gz OCAJULIJTZDKEN-MRXNPFEDSA-N 1 2 332.384 2.104 20 30 EEEDLO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(P(C)(C)=O)cc2)C1 ZINC001034048417 1195701310 /nfs/dbraw/zinc/70/13/10/1195701310.db2.gz OCAJULIJTZDKEN-MRXNPFEDSA-N 1 2 332.384 2.104 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ncc(C)o2)C1 ZINC001034211915 1195950310 /nfs/dbraw/zinc/95/03/10/1195950310.db2.gz DUUSDPCZCIXIRE-BBWFWOEESA-N 1 2 347.459 2.435 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ncc(C)o2)C1 ZINC001034211915 1195950312 /nfs/dbraw/zinc/95/03/12/1195950312.db2.gz DUUSDPCZCIXIRE-BBWFWOEESA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccnn2CC(F)F)C1 ZINC001034212046 1195951389 /nfs/dbraw/zinc/95/13/89/1195951389.db2.gz 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/nfs/dbraw/zinc/82/26/70/1197822670.db2.gz ISXUCJMBQBNWJW-BEFAXECRSA-N 1 2 338.411 2.259 20 30 EEEDLO C=CCn1cc(C[NH2+][C@@H](CC)C(=O)N(C)c2ccc(C)cc2)nn1 ZINC000871889800 1197953741 /nfs/dbraw/zinc/95/37/41/1197953741.db2.gz NNOXTRLNXOEFGH-KRWDZBQOSA-N 1 2 327.432 2.304 20 30 EEEDLO Cc1noc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)c1C ZINC001014864667 1224462694 /nfs/dbraw/zinc/46/26/94/1224462694.db2.gz RYNREZSVBFUBJF-HNNXBMFYSA-N 1 2 342.374 2.307 20 30 EEEDLO Cc1noc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)c1C ZINC001014864667 1224462700 /nfs/dbraw/zinc/46/27/00/1224462700.db2.gz RYNREZSVBFUBJF-HNNXBMFYSA-N 1 2 342.374 2.307 20 30 EEEDLO CSc1ncc(C[N@@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)cn1 ZINC001273384138 1198429009 /nfs/dbraw/zinc/42/90/09/1198429009.db2.gz LDZQMKJRGRSUAI-KRWDZBQOSA-N 1 2 345.472 2.069 20 30 EEEDLO CSc1ncc(C[N@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)cn1 ZINC001273384138 1198429014 /nfs/dbraw/zinc/42/90/14/1198429014.db2.gz LDZQMKJRGRSUAI-KRWDZBQOSA-N 1 2 345.472 2.069 20 30 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C#CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3cc(C)n(C)n3)C2)CCC1 ZINC001132101025 1199293299 /nfs/dbraw/zinc/29/32/99/1199293299.db2.gz GAYHCXAFEOGYIG-RDJZCZTQSA-N 1 2 342.487 2.391 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCCc2c[nH]nn2)CC[C@@H]1C ZINC001132210101 1199434728 /nfs/dbraw/zinc/43/47/28/1199434728.db2.gz BZMHOJBMFNHMBI-ZFWWWQNUSA-N 1 2 339.871 2.239 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCCc2c[nH]nn2)CC[C@@H]1C ZINC001132210101 1199434731 /nfs/dbraw/zinc/43/47/31/1199434731.db2.gz BZMHOJBMFNHMBI-ZFWWWQNUSA-N 1 2 339.871 2.239 20 30 EEEDLO C#Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2nc(C(C)C)no2)cc1 ZINC001132226829 1199467623 /nfs/dbraw/zinc/46/76/23/1199467623.db2.gz PZRLOTAZZAPZDH-CYBMUJFWSA-N 1 2 326.400 2.255 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCNC(=O)C2CCC2)CC[C@H]1C ZINC001132355076 1199598378 /nfs/dbraw/zinc/59/83/78/1199598378.db2.gz TTXSAWBFBKUNLP-HIFRSBDPSA-N 1 2 341.883 2.014 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCNC(=O)C2CCC2)CC[C@H]1C ZINC001132355076 1199598381 /nfs/dbraw/zinc/59/83/81/1199598381.db2.gz TTXSAWBFBKUNLP-HIFRSBDPSA-N 1 2 341.883 2.014 20 30 EEEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2scnc2C(C)C)CC[C@H]1C ZINC001132343477 1199606012 /nfs/dbraw/zinc/60/60/12/1199606012.db2.gz IDLMBMZLRCSOLG-CABCVRRESA-N 1 2 349.500 2.499 20 30 EEEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2scnc2C(C)C)CC[C@H]1C ZINC001132343477 1199606019 /nfs/dbraw/zinc/60/60/19/1199606019.db2.gz IDLMBMZLRCSOLG-CABCVRRESA-N 1 2 349.500 2.499 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)CCCCC)CC[C@@H]1C ZINC001132503707 1199787722 /nfs/dbraw/zinc/78/77/22/1199787722.db2.gz CXMAZNSPOOFPSJ-IRXDYDNUSA-N 1 2 349.519 2.311 20 30 EEEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)CCCCC)CC[C@@H]1C ZINC001132503707 1199787724 /nfs/dbraw/zinc/78/77/24/1199787724.db2.gz CXMAZNSPOOFPSJ-IRXDYDNUSA-N 1 2 349.519 2.311 20 30 EEEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C(C)C)s2)CC[C@@H]1C ZINC001132547042 1199844812 /nfs/dbraw/zinc/84/48/12/1199844812.db2.gz WHRWRQMJGBKUNB-GJZGRUSLSA-N 1 2 349.500 2.499 20 30 EEEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cnc(C(C)C)s2)CC[C@@H]1C ZINC001132547042 1199844814 /nfs/dbraw/zinc/84/48/14/1199844814.db2.gz WHRWRQMJGBKUNB-GJZGRUSLSA-N 1 2 349.500 2.499 20 30 EEEDLO CC#CCCCC(=O)NCC[NH2+]Cc1nc(-c2ccsc2)no1 ZINC001132596578 1199883431 /nfs/dbraw/zinc/88/34/31/1199883431.db2.gz FJTNGYBABDUWKX-UHFFFAOYSA-N 1 2 332.429 2.198 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000869584311 1200165373 /nfs/dbraw/zinc/16/53/73/1200165373.db2.gz GSUWRJUKHNXJSH-IKGGRYGDSA-N 1 2 332.831 2.384 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000869584311 1200165380 /nfs/dbraw/zinc/16/53/80/1200165380.db2.gz GSUWRJUKHNXJSH-IKGGRYGDSA-N 1 2 332.831 2.384 20 30 EEEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000811732428 1200275010 /nfs/dbraw/zinc/27/50/10/1200275010.db2.gz RLNLCSHUXGFFCK-IRXDYDNUSA-N 1 2 327.428 2.364 20 30 EEEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000811732428 1200275017 /nfs/dbraw/zinc/27/50/17/1200275017.db2.gz RLNLCSHUXGFFCK-IRXDYDNUSA-N 1 2 327.428 2.364 20 30 EEEDLO COc1cccc([C@H]2CN(C(=O)Cc3cccc(C#N)c3)CC[NH2+]2)c1 ZINC000870149973 1200510813 /nfs/dbraw/zinc/51/08/13/1200510813.db2.gz HQDKYRBYWKWQBJ-LJQANCHMSA-N 1 2 335.407 2.282 20 30 EEEDLO COc1cccc([C@H]2CN(C(=O)c3ncc(C#N)cc3C)CC[NH2+]2)c1 ZINC000870152600 1200515395 /nfs/dbraw/zinc/51/53/95/1200515395.db2.gz KRTAXHINCKTJCK-QGZVFWFLSA-N 1 2 336.395 2.057 20 30 EEEDLO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585179 1201158746 /nfs/dbraw/zinc/15/87/46/1201158746.db2.gz UIHQINBZIVGWPH-OAHLLOKOSA-N 1 2 328.460 2.374 20 30 EEEDLO CC(C)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3C#N)CC2)C1=O ZINC000879588154 1201159495 /nfs/dbraw/zinc/15/94/95/1201159495.db2.gz ASLMTCWPFPBAMS-SFHVURJKSA-N 1 2 344.434 2.219 20 30 EEEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cc(C#N)c(F)cc2F)[C@@H](C)CO1 ZINC000880709809 1201564895 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1225043830 /nfs/dbraw/zinc/04/38/30/1225043830.db2.gz FHJBUSLVSOMHNT-NSHDSACASA-N 1 2 346.412 2.011 20 30 EEEDLO CCOc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)on1 ZINC001015289461 1225043834 /nfs/dbraw/zinc/04/38/34/1225043834.db2.gz FHJBUSLVSOMHNT-NSHDSACASA-N 1 2 346.412 2.011 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([C@H](C)Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001111223101 1208387136 /nfs/dbraw/zinc/38/71/36/1208387136.db2.gz IFBVOQUEJFHYRY-DZGCQCFKSA-N 1 2 346.479 2.251 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000947712760 1208682376 /nfs/dbraw/zinc/68/23/76/1208682376.db2.gz OBEXEFMACSNPIB-CQSZACIVSA-N 1 2 344.459 2.149 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cscn3)[C@H](C)C2)cn1 ZINC000947949364 1208790341 /nfs/dbraw/zinc/79/03/41/1208790341.db2.gz URBPFTLCCCMOMG-CJNGLKHVSA-N 1 2 340.452 2.302 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cscn3)[C@H](C)C2)cn1 ZINC000947949364 1208790344 /nfs/dbraw/zinc/79/03/44/1208790344.db2.gz 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1 2 334.423 2.056 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C#C)cn1 ZINC000948978934 1209485956 /nfs/dbraw/zinc/48/59/56/1209485956.db2.gz POHZDLPIOWWQEU-HXUWFJFHSA-N 1 2 329.403 2.025 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C#C)cn1 ZINC000948978934 1209485957 /nfs/dbraw/zinc/48/59/57/1209485957.db2.gz POHZDLPIOWWQEU-HXUWFJFHSA-N 1 2 329.403 2.025 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3c[nH]c4ccccc34)CC2)C1 ZINC000949408867 1209671928 /nfs/dbraw/zinc/67/19/28/1209671928.db2.gz MHYDZDXXUIHVDW-UHFFFAOYSA-N 1 2 337.423 2.108 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3c[nH]c4ccccc34)CC2)C1 ZINC000949408867 1209671929 /nfs/dbraw/zinc/67/19/29/1209671929.db2.gz MHYDZDXXUIHVDW-UHFFFAOYSA-N 1 2 337.423 2.108 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CCc3ccc(F)cc3)CC2)C1 ZINC000949409101 1209672064 /nfs/dbraw/zinc/67/20/64/1209672064.db2.gz ZAGQXONBULJOQQ-UHFFFAOYSA-N 1 2 344.430 2.085 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CCc3ccc(F)cc3)CC2)C1 ZINC000949409101 1209672066 /nfs/dbraw/zinc/67/20/66/1209672066.db2.gz ZAGQXONBULJOQQ-UHFFFAOYSA-N 1 2 344.430 2.085 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CC=C(C)CC3)CC2)C1 ZINC000949529562 1209730099 /nfs/dbraw/zinc/73/00/99/1209730099.db2.gz ZZAMTOCVYJOWKM-IBGZPJMESA-N 1 2 330.472 2.450 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CC=C(C)CC3)CC2)C1 ZINC000949529562 1209730101 /nfs/dbraw/zinc/73/01/01/1209730101.db2.gz ZZAMTOCVYJOWKM-IBGZPJMESA-N 1 2 330.472 2.450 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000950343564 1210163102 /nfs/dbraw/zinc/16/31/02/1210163102.db2.gz SLSIRYLZPAZNEZ-MOPGFXCFSA-N 1 2 326.440 2.463 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC000950617397 1210305687 /nfs/dbraw/zinc/30/56/87/1210305687.db2.gz VGXDWUVLTMTDIA-MRXNPFEDSA-N 1 2 344.459 2.196 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H](C)C2)C1 ZINC000955656182 1213240239 /nfs/dbraw/zinc/24/02/39/1213240239.db2.gz OHLNNXSEJDNSIM-LSDHHAIUSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H](C)C2)C1 ZINC000955762701 1213321253 /nfs/dbraw/zinc/32/12/53/1213321253.db2.gz ZVXVCYHXERJJJH-HIFRSBDPSA-N 1 2 344.459 2.113 20 30 EEEDLO Cc1ncccc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015633923 1225492717 /nfs/dbraw/zinc/49/27/17/1225492717.db2.gz KMKPOJCXYPYHOC-SFHVURJKSA-N 1 2 337.398 2.385 20 30 EEEDLO Cc1ncccc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015633923 1225492719 /nfs/dbraw/zinc/49/27/19/1225492719.db2.gz KMKPOJCXYPYHOC-SFHVURJKSA-N 1 2 337.398 2.385 20 30 EEEDLO COc1ncccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001015647498 1225505827 /nfs/dbraw/zinc/50/58/27/1225505827.db2.gz FCBVCMNMXPUDID-GFCCVEGCSA-N 1 2 342.424 2.028 20 30 EEEDLO COc1ncccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001015647498 1225505831 /nfs/dbraw/zinc/50/58/31/1225505831.db2.gz FCBVCMNMXPUDID-GFCCVEGCSA-N 1 2 342.424 2.028 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(CF)CCC1 ZINC001114864694 1214216372 /nfs/dbraw/zinc/21/63/72/1214216372.db2.gz IJUWCADVFXDABG-GDNZZTSVSA-N 1 2 331.229 2.081 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(CF)CCC1 ZINC001114864694 1214216380 /nfs/dbraw/zinc/21/63/80/1214216380.db2.gz IJUWCADVFXDABG-GDNZZTSVSA-N 1 2 331.229 2.081 20 30 EEEDLO CCc1nocc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001015667421 1225530592 /nfs/dbraw/zinc/53/05/92/1225530592.db2.gz LRTYXFXVCMZETA-AWEZNQCLSA-N 1 2 342.374 2.252 20 30 EEEDLO CCc1nocc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001015667421 1225530594 /nfs/dbraw/zinc/53/05/94/1225530594.db2.gz LRTYXFXVCMZETA-AWEZNQCLSA-N 1 2 342.374 2.252 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2coc(C3CCOCC3)n2)C1 ZINC000957106281 1214841157 /nfs/dbraw/zinc/84/11/57/1214841157.db2.gz VUKQXFYPEFGBBC-UHFFFAOYSA-N 1 2 333.432 2.291 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@H]21 ZINC001114678145 1214882526 /nfs/dbraw/zinc/88/25/26/1214882526.db2.gz JNNVQXXNYMVINJ-ZSHCYNCHSA-N 1 2 331.464 2.008 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@H]21 ZINC001114678145 1214882531 /nfs/dbraw/zinc/88/25/31/1214882531.db2.gz JNNVQXXNYMVINJ-ZSHCYNCHSA-N 1 2 331.464 2.008 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nc(C4CC4)no3)C[C@H]21 ZINC001114692448 1214989789 /nfs/dbraw/zinc/98/97/89/1214989789.db2.gz HKWZVDZSSPEWPZ-SCUASFONSA-N 1 2 330.432 2.267 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nc(C4CC4)no3)C[C@H]21 ZINC001114692448 1214989792 /nfs/dbraw/zinc/98/97/92/1214989792.db2.gz HKWZVDZSSPEWPZ-SCUASFONSA-N 1 2 330.432 2.267 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(C)c(C)o3)C[C@H]21 ZINC001114693208 1214992902 /nfs/dbraw/zinc/99/29/02/1214992902.db2.gz WVGYILZBNJUXQQ-MNZLEMJZSA-N 1 2 329.444 2.422 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(C)c(C)o3)C[C@H]21 ZINC001114693208 1214992905 /nfs/dbraw/zinc/99/29/05/1214992905.db2.gz WVGYILZBNJUXQQ-MNZLEMJZSA-N 1 2 329.444 2.422 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2Oc3ccccc3O[C@H]2C)C1 ZINC000957372280 1215083636 /nfs/dbraw/zinc/08/36/36/1215083636.db2.gz IVAIWMZNHZZVKC-KSSFIOAISA-N 1 2 330.428 2.324 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CC(=O)N([C@H](C)CCC)C2)C1 ZINC000957422201 1215115098 /nfs/dbraw/zinc/11/50/98/1215115098.db2.gz NOXOIKOVWPBBPL-HZPDHXFCSA-N 1 2 335.492 2.132 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cn(C(C)(C)C)nn3)C[C@H]21 ZINC001114724101 1215124046 /nfs/dbraw/zinc/12/40/46/1215124046.db2.gz GNWOEVQUBGTQNC-QMCVQRASSA-N 1 2 345.491 2.182 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(C(C)(C)C)nn3)C[C@H]21 ZINC001114724101 1215124048 /nfs/dbraw/zinc/12/40/48/1215124048.db2.gz GNWOEVQUBGTQNC-QMCVQRASSA-N 1 2 345.491 2.182 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C)n3CCC)C[C@H]21 ZINC001114792898 1215308839 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ZINC001007312420 1222165203 /nfs/dbraw/zinc/16/52/03/1222165203.db2.gz ORJCJEWSIGKDNK-CQSZACIVSA-N 1 2 347.850 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccnc2-n2cccn2)C1 ZINC001008136292 1222642358 /nfs/dbraw/zinc/64/23/58/1222642358.db2.gz ODNOOVQEOJIMIH-AWEZNQCLSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccnc2-n2cccn2)C1 ZINC001008136292 1222642359 /nfs/dbraw/zinc/64/23/59/1222642359.db2.gz ODNOOVQEOJIMIH-AWEZNQCLSA-N 1 2 345.834 2.214 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(OC)no3)C2)cc1 ZINC001008143265 1222648475 /nfs/dbraw/zinc/64/84/75/1222648475.db2.gz BIRIZPSJOQWGGL-INIZCTEOSA-N 1 2 339.395 2.059 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(OC)no3)C2)cc1 ZINC001008143265 1222648478 /nfs/dbraw/zinc/64/84/78/1222648478.db2.gz BIRIZPSJOQWGGL-INIZCTEOSA-N 1 2 339.395 2.059 20 30 EEEDLO Cc1nocc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001008386346 1222801979 /nfs/dbraw/zinc/80/19/79/1222801979.db2.gz 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CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2cc(C)ccc2O1 ZINC001017734040 1227687216 /nfs/dbraw/zinc/68/72/16/1227687216.db2.gz XMBWOKZBVKCRTK-NSHGMRRFSA-N 1 2 338.451 2.387 20 30 EEEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC001017840304 1227785034 /nfs/dbraw/zinc/78/50/34/1227785034.db2.gz CFKMKOJBPCSKAX-LLLHUVSDSA-N 1 2 328.460 2.327 20 30 EEEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC001017840304 1227785041 /nfs/dbraw/zinc/78/50/41/1227785041.db2.gz CFKMKOJBPCSKAX-LLLHUVSDSA-N 1 2 328.460 2.327 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@](C)(C=C)CC)C1=O ZINC001017895279 1227831772 /nfs/dbraw/zinc/83/17/72/1227831772.db2.gz HDRMMENBRBCDPK-CLWJZODNSA-N 1 2 345.487 2.051 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@](C)(C=C)CC)C1=O ZINC001017895279 1227831778 /nfs/dbraw/zinc/83/17/78/1227831778.db2.gz HDRMMENBRBCDPK-CLWJZODNSA-N 1 2 345.487 2.051 20 30 EEEDLO 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C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC001041934643 1231775290 /nfs/dbraw/zinc/77/52/90/1231775290.db2.gz GMPVIBMNWJPAIX-OCCSQVGLSA-N 1 2 338.249 2.460 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC001041934643 1231775292 /nfs/dbraw/zinc/77/52/92/1231775292.db2.gz GMPVIBMNWJPAIX-OCCSQVGLSA-N 1 2 338.249 2.460 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(OC)ns3)C[C@H]21 ZINC001042064199 1231862730 /nfs/dbraw/zinc/86/27/30/1231862730.db2.gz FAECDQHRZDTZKF-NWDGAFQWSA-N 1 2 341.864 2.441 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(OC)ns3)C[C@H]21 ZINC001042064199 1231862732 /nfs/dbraw/zinc/86/27/32/1231862732.db2.gz FAECDQHRZDTZKF-NWDGAFQWSA-N 1 2 341.864 2.441 20 30 EEEDLO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3c(C)n[nH]c3C(F)(F)F)C[C@@H]21 ZINC001042158001 1231925974 /nfs/dbraw/zinc/92/59/74/1231925974.db2.gz UZRPULTVPREMJN-NEPJUHHUSA-N 1 2 342.365 2.459 20 30 EEEDLO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(C)n[nH]c3C(F)(F)F)C[C@@H]21 ZINC001042158001 1231925976 /nfs/dbraw/zinc/92/59/76/1231925976.db2.gz UZRPULTVPREMJN-NEPJUHHUSA-N 1 2 342.365 2.459 20 30 EEEDLO C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3c(C)n[nH]c3C(F)(F)F)C[C@H]21 ZINC001042158002 1231926060 /nfs/dbraw/zinc/92/60/60/1231926060.db2.gz UZRPULTVPREMJN-NWDGAFQWSA-N 1 2 342.365 2.459 20 30 EEEDLO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3c(C)n[nH]c3C(F)(F)F)C[C@H]21 ZINC001042158002 1231926061 /nfs/dbraw/zinc/92/60/61/1231926061.db2.gz UZRPULTVPREMJN-NWDGAFQWSA-N 1 2 342.365 2.459 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nnc(C)[nH]3)[C@@H]2C1 ZINC001042185579 1231944190 /nfs/dbraw/zinc/94/41/90/1231944190.db2.gz VFOXFYZDQYPIPF-HUUCEWRRSA-N 1 2 331.464 2.138 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nnc(C)[nH]3)[C@@H]2C1 ZINC001042185579 1231944192 /nfs/dbraw/zinc/94/41/92/1231944192.db2.gz VFOXFYZDQYPIPF-HUUCEWRRSA-N 1 2 331.464 2.138 20 30 EEEDLO CO[C@@H](C[NH+]1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1)c1ccccc1 ZINC001042638481 1232126826 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EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnn(CCCC)c1C ZINC001051200744 1245379845 /nfs/dbraw/zinc/37/98/45/1245379845.db2.gz CKEHQLUWDOZHDV-KRWDZBQOSA-N 1 2 348.491 2.388 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnn(CCCC)c1C ZINC001051200744 1245379849 /nfs/dbraw/zinc/37/98/49/1245379849.db2.gz CKEHQLUWDOZHDV-KRWDZBQOSA-N 1 2 348.491 2.388 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(C)[nH]nc1C(C)C ZINC001051202644 1245383401 /nfs/dbraw/zinc/38/34/01/1245383401.db2.gz KNNLOSUCUNXQFN-HNNXBMFYSA-N 1 2 334.464 2.238 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(C)[nH]nc1C(C)C ZINC001051202644 1245383406 /nfs/dbraw/zinc/38/34/06/1245383406.db2.gz KNNLOSUCUNXQFN-HNNXBMFYSA-N 1 2 334.464 2.238 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC001051202644 1245383408 /nfs/dbraw/zinc/38/34/08/1245383408.db2.gz KNNLOSUCUNXQFN-HNNXBMFYSA-N 1 2 334.464 2.238 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC001051202644 1245383414 /nfs/dbraw/zinc/38/34/14/1245383414.db2.gz KNNLOSUCUNXQFN-HNNXBMFYSA-N 1 2 334.464 2.238 20 30 EEEDLO C=CCOCC(=O)N1C[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@@]2(C)C1 ZINC001101175192 1245481629 /nfs/dbraw/zinc/48/16/29/1245481629.db2.gz ICJSYBCQHDEWKP-FXVVUUPLSA-N 1 2 333.259 2.288 20 30 EEEDLO C=CCOCC(=O)N1C[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@@]2(C)C1 ZINC001101175192 1245481633 /nfs/dbraw/zinc/48/16/33/1245481633.db2.gz ICJSYBCQHDEWKP-FXVVUUPLSA-N 1 2 333.259 2.288 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NCCN(CCC)c1cc[nH+]c(C)n1 ZINC001101215921 1245528290 /nfs/dbraw/zinc/52/82/90/1245528290.db2.gz MMVSLFKWECOQAH-GOSISDBHSA-N 1 2 334.464 2.346 20 30 EEEDLO Cc1cnc(C[N@@H+]2C[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@]3(C)C2)nc1 ZINC001101232518 1245549396 /nfs/dbraw/zinc/54/93/96/1245549396.db2.gz XAXQRMCZYXSZAX-UZLBHIALSA-N 1 2 340.471 2.115 20 30 EEEDLO Cc1cnc(C[N@H+]2C[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@]3(C)C2)nc1 ZINC001101232518 1245549400 /nfs/dbraw/zinc/54/94/00/1245549400.db2.gz XAXQRMCZYXSZAX-UZLBHIALSA-N 1 2 340.471 2.115 20 30 EEEDLO C=CCCC1(C(=O)N2CC[C@H]([C@@H](C)NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001051521315 1245820191 /nfs/dbraw/zinc/82/01/91/1245820191.db2.gz JMGWINDFTOMQGC-CABCVRRESA-N 1 2 344.459 2.052 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc(C(C)C)nn1CC)CCO2 ZINC001053327529 1246187598 /nfs/dbraw/zinc/18/75/98/1246187598.db2.gz MRVWIVGGSOZEBH-UHFFFAOYSA-N 1 2 346.475 2.129 20 30 EEEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1conc1C1CC1)CCO2 ZINC001053423700 1246315486 /nfs/dbraw/zinc/31/54/86/1246315486.db2.gz METXHSOYJXZONX-UHFFFAOYSA-N 1 2 331.416 2.045 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)c3ccsc3)C2)CC1 ZINC001051974723 1246332066 /nfs/dbraw/zinc/33/20/66/1246332066.db2.gz JPLKHHIRXQVFOE-OAHLLOKOSA-N 1 2 339.892 2.333 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCO[C@H](CCC)C1)CCO2 ZINC001053488386 1246385034 /nfs/dbraw/zinc/38/50/34/1246385034.db2.gz UKAMDCLROUQAHE-IAGOWNOFSA-N 1 2 336.476 2.071 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CC3(C)CCCC3)C2)CC1 ZINC001052024877 1246388269 /nfs/dbraw/zinc/38/82/69/1246388269.db2.gz PPALNAIDAIZNFW-GOSISDBHSA-N 1 2 331.504 2.199 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3csc(C)c3C)C2)CC1 ZINC001052033963 1246400193 /nfs/dbraw/zinc/40/01/93/1246400193.db2.gz XZZPWYIZGUSSQF-INIZCTEOSA-N 1 2 333.501 2.383 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCC34CC4)C2)CC1 ZINC001052043073 1246412846 /nfs/dbraw/zinc/41/28/46/1246412846.db2.gz NZDKEONZAHURNJ-ZWKOTPCHSA-N 1 2 331.504 2.361 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CC3CC(F)(F)C3)C2)CC1 ZINC001052045173 1246414996 /nfs/dbraw/zinc/41/49/96/1246414996.db2.gz RBXQTZFOGGFPEH-INIZCTEOSA-N 1 2 341.446 2.216 20 30 EEEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)oc(C)c3C)C2)CC1 ZINC001052047662 1246419250 /nfs/dbraw/zinc/41/92/50/1246419250.db2.gz VQDJPBSUGXNENJ-GOSISDBHSA-N 1 2 343.471 2.060 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3cc[nH]c3CCC)C2)CC1 ZINC001052068614 1246441313 /nfs/dbraw/zinc/44/13/13/1246441313.db2.gz 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CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC4CCC3CC4)C2)CC1 ZINC001052121609 1246506577 /nfs/dbraw/zinc/50/65/77/1246506577.db2.gz DQMMMPQUVZEURZ-NTFDOXNWSA-N 1 2 343.515 2.055 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)O2 ZINC001053602850 1246516731 /nfs/dbraw/zinc/51/67/31/1246516731.db2.gz MUMYZRRSPLMUOY-OKZBNKHCSA-N 1 2 341.455 2.111 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nccc3ccsc31)O2 ZINC001053613324 1246534723 /nfs/dbraw/zinc/53/47/23/1246534723.db2.gz AWPOUGIHYFYSBN-AWEZNQCLSA-N 1 2 343.452 2.446 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C)c(F)cc1F)O2 ZINC001053613899 1246535310 /nfs/dbraw/zinc/53/53/10/1246535310.db2.gz CIEXENGMXPXICX-CYBMUJFWSA-N 1 2 336.382 2.422 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3ccccc3C1)O2 ZINC001053669778 1246618184 /nfs/dbraw/zinc/61/81/84/1246618184.db2.gz HHCDMEBAZOLCQD-RTBURBONSA-N 1 2 340.467 2.327 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ncoc1C1CC1)O2 ZINC001053683504 1246641262 /nfs/dbraw/zinc/64/12/62/1246641262.db2.gz SGBINUMNIUQIFE-CQSZACIVSA-N 1 2 331.416 2.091 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccnc(OC(C)C)c1)O2 ZINC001053686265 1246648137 /nfs/dbraw/zinc/64/81/37/1246648137.db2.gz LFPHTQVRCBPYGU-MRXNPFEDSA-N 1 2 345.443 2.018 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C)n(C(C)C)n1)O2 ZINC001053704913 1246685636 /nfs/dbraw/zinc/68/56/36/1246685636.db2.gz RHVSZXMFQOHWNY-MRXNPFEDSA-N 1 2 346.475 2.312 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1C[C@H]1c1ccccc1)CO2 ZINC001053802730 1246811218 /nfs/dbraw/zinc/81/12/18/1246811218.db2.gz DYYFGZKWECATFG-OTWHNJEPSA-N 1 2 338.451 2.163 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccnc1C1CC1)CO2 ZINC001053858544 1246919467 /nfs/dbraw/zinc/91/94/67/1246919467.db2.gz KDINJWUHMDYRPA-OAHLLOKOSA-N 1 2 327.428 2.108 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)[nH]c3ccccc31)CO2 ZINC001053862841 1246929171 /nfs/dbraw/zinc/92/91/71/1246929171.db2.gz FDTBCAOWPBSWDS-HNNXBMFYSA-N 1 2 337.423 2.073 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001057728827 1246973192 /nfs/dbraw/zinc/97/31/92/1246973192.db2.gz SDINZVZRDOWPOL-CQSZACIVSA-N 1 2 346.479 2.251 20 30 EEEDLO C[C@@H](c1csnn1)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052320751 1247003769 /nfs/dbraw/zinc/00/37/69/1247003769.db2.gz VKZHJKAFEMANFA-NWDGAFQWSA-N 1 2 344.444 2.083 20 30 EEEDLO C[C@@H](c1csnn1)[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052320751 1247003777 /nfs/dbraw/zinc/00/37/77/1247003777.db2.gz VKZHJKAFEMANFA-NWDGAFQWSA-N 1 2 344.444 2.083 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(OC)c(C)c1)CO2 ZINC001053956464 1247064298 /nfs/dbraw/zinc/06/42/98/1247064298.db2.gz HDROJUDPZMEGLY-INIZCTEOSA-N 1 2 330.428 2.153 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[C@H](C(C)C)CC1)CO2 ZINC001053965643 1247077283 /nfs/dbraw/zinc/07/72/83/1247077283.db2.gz IPAJGPGDICCKGK-BZSNNMDCSA-N 1 2 332.488 2.432 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(F)c1OCC)CO2 ZINC001053967977 1247079961 /nfs/dbraw/zinc/07/99/61/1247079961.db2.gz HLRFCXLPWFIIRQ-CQSZACIVSA-N 1 2 348.418 2.374 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(F)c1OCC)CO2 ZINC001053967976 1247080403 /nfs/dbraw/zinc/08/04/03/1247080403.db2.gz HLRFCXLPWFIIRQ-AWEZNQCLSA-N 1 2 348.418 2.374 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3sccc3[nH]1)CO2 ZINC001053973799 1247090618 /nfs/dbraw/zinc/09/06/18/1247090618.db2.gz XQCKPHVBXJHWMG-GFCCVEGCSA-N 1 2 331.441 2.379 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCc2cccnc21 ZINC001054050572 1247237976 /nfs/dbraw/zinc/23/79/76/1247237976.db2.gz GPDWFCFIKMWUQT-WOJBJXKFSA-N 1 2 345.446 2.288 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCc2cccnc21 ZINC001054050572 1247237982 /nfs/dbraw/zinc/23/79/82/1247237982.db2.gz GPDWFCFIKMWUQT-WOJBJXKFSA-N 1 2 345.446 2.288 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc2cccnn21 ZINC001054054975 1247249775 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C=CCCCC(=O)N1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)[C@H](C)C1 ZINC001105054723 768964614 /nfs/dbraw/zinc/96/46/14/768964614.db2.gz CNZVGEVGXSWZJH-UKRRQHHQSA-N 1 2 342.447 2.369 20 30 EEEDLO Cc1nc(N[C@H](C)[C@@H]2CCCN(C(=O)CSCC#N)C2)cc[nH+]1 ZINC001105074166 768994691 /nfs/dbraw/zinc/99/46/91/768994691.db2.gz MBNRNLKYSSZATL-TZMCWYRMSA-N 1 2 333.461 2.081 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H]([C@H](C)Nc2[nH+]cnc3c2cnn3C)C1 ZINC001105078685 769005829 /nfs/dbraw/zinc/00/58/29/769005829.db2.gz JNRQKFWNWRICHJ-KBPBESRZSA-N 1 2 342.447 2.369 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CNc1[nH+]cnc2c1cnn2C ZINC001105087755 769030192 /nfs/dbraw/zinc/03/01/92/769030192.db2.gz VTEYFXDGMRJIQT-ZFWWWQNUSA-N 1 2 342.447 2.369 20 30 EEEDLO CC(C)[C@H](CNC(=O)Cc1[nH]cc[nH+]1)Nc1ncc(C#N)cc1Cl ZINC001105214364 769355246 /nfs/dbraw/zinc/35/52/46/769355246.db2.gz HQOPCXODALJHAE-ZDUSSCGKSA-N 1 2 346.822 2.125 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)C(C)C ZINC001105225969 769388337 /nfs/dbraw/zinc/38/83/37/769388337.db2.gz ZEOPKPUDPOSHQE-ZBFHGGJFSA-N 1 2 344.459 2.253 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC(n2cc(C[NH2+]C[C@@H](F)CC)nn2)C1 ZINC001105248919 769460114 /nfs/dbraw/zinc/46/01/14/769460114.db2.gz FERWJXVNWMZHLU-HNNXBMFYSA-N 1 2 349.454 2.268 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC(n2cc(C[NH2+]C[C@H](F)CC)nn2)C1 ZINC001105248920 769460129 /nfs/dbraw/zinc/46/01/29/769460129.db2.gz FERWJXVNWMZHLU-OAHLLOKOSA-N 1 2 349.454 2.268 20 30 EEEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCC3CCCCCC3)C2)nn1 ZINC001105285300 769576939 /nfs/dbraw/zinc/57/69/39/769576939.db2.gz LVXVHEMWFCVXNB-UHFFFAOYSA-N 1 2 343.475 2.135 20 30 EEEDLO Cc1ncsc1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031559873 769652633 /nfs/dbraw/zinc/65/26/33/769652633.db2.gz CDFIRNWRBYALBS-UHFFFAOYSA-N 1 2 326.425 2.185 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C)n1 ZINC001125941366 769661098 /nfs/dbraw/zinc/66/10/98/769661098.db2.gz LHHORFDRFVKVNO-OAHLLOKOSA-N 1 2 340.431 2.101 20 30 EEEDLO CCO[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001031566079 769707636 /nfs/dbraw/zinc/70/76/36/769707636.db2.gz RVLPTQWMJRAPRJ-ZWKOTPCHSA-N 1 2 346.858 2.165 20 30 EEEDLO Cc1ccncc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031591706 769943645 /nfs/dbraw/zinc/94/36/45/769943645.db2.gz UPAUYSAVVXPPAW-UHFFFAOYSA-N 1 2 337.398 2.242 20 30 EEEDLO Cc1cc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)co1 ZINC001031632881 770476214 /nfs/dbraw/zinc/47/62/14/770476214.db2.gz IVSMDNJAGRKWMH-UHFFFAOYSA-N 1 2 326.371 2.440 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3CC)CC[C@@H]2C1 ZINC001088064689 782842431 /nfs/dbraw/zinc/84/24/31/782842431.db2.gz QAGQMUUKJKRNKZ-CVEARBPZSA-N 1 2 345.491 2.181 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3CC)CC[C@@H]2C1 ZINC001088064689 782842435 /nfs/dbraw/zinc/84/24/35/782842435.db2.gz QAGQMUUKJKRNKZ-CVEARBPZSA-N 1 2 345.491 2.181 20 30 EEEDLO Cc1nc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)co1 ZINC001027843377 773403891 /nfs/dbraw/zinc/40/38/91/773403891.db2.gz WFIQHLWHIZTSDA-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)co1 ZINC001027843377 773403894 /nfs/dbraw/zinc/40/38/94/773403894.db2.gz WFIQHLWHIZTSDA-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C1CCC(C(=O)N2CC(NC(=O)C(C)(C)n3c[nH+]c(C)c3)C2)CC1 ZINC000994842743 774006378 /nfs/dbraw/zinc/00/63/78/774006378.db2.gz PGMCMWAPFBCFSJ-UHFFFAOYSA-N 1 2 344.459 2.000 20 30 EEEDLO C=CCn1cccc1C(=O)NCC1C[NH+](Cc2cc(OC)ns2)C1 ZINC001031733152 774020255 /nfs/dbraw/zinc/02/02/55/774020255.db2.gz OIWFFEDKNZJAQV-UHFFFAOYSA-N 1 2 346.456 2.001 20 30 EEEDLO Cc1noc(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001010119440 774175654 /nfs/dbraw/zinc/17/56/54/774175654.db2.gz AFUDXUCMQXNIAD-GFCCVEGCSA-N 1 2 330.413 2.229 20 30 EEEDLO Cc1noc(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001010119440 774175656 /nfs/dbraw/zinc/17/56/56/774175656.db2.gz AFUDXUCMQXNIAD-GFCCVEGCSA-N 1 2 330.413 2.229 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031740363 774192389 /nfs/dbraw/zinc/19/23/89/774192389.db2.gz AAFAJCFPFSCNNK-QAPCUYQASA-N 1 2 345.418 2.060 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2ncccn2)C1 ZINC000980271114 774225003 /nfs/dbraw/zinc/22/50/03/774225003.db2.gz UCQACWRPXPXQMP-VQIMIIECSA-N 1 2 348.450 2.294 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2ncccn2)C1 ZINC000980271114 774225005 /nfs/dbraw/zinc/22/50/05/774225005.db2.gz UCQACWRPXPXQMP-VQIMIIECSA-N 1 2 348.450 2.294 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060756121 774327852 /nfs/dbraw/zinc/32/78/52/774327852.db2.gz DBZDMXGENPDPFF-YVSFHVDLSA-N 1 2 346.475 2.133 20 30 EEEDLO C#CCOCCC(=O)NC[C@@H](C)N(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001089691885 774384565 /nfs/dbraw/zinc/38/45/65/774384565.db2.gz ADIRAOSEZGYWDT-OAHLLOKOSA-N 1 2 344.459 2.033 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)n[nH]1 ZINC001027916820 774386019 /nfs/dbraw/zinc/38/60/19/774386019.db2.gz UYIVSVVRQRWCQI-VIFPVBQESA-N 1 2 347.644 2.119 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(Br)n[nH]1 ZINC001027916820 774386026 /nfs/dbraw/zinc/38/60/26/774386026.db2.gz UYIVSVVRQRWCQI-VIFPVBQESA-N 1 2 347.644 2.119 20 30 EEEDLO N#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001087430026 774755333 /nfs/dbraw/zinc/75/53/33/774755333.db2.gz RLGBRRQWEIEVDX-YWTNHNAXSA-N 1 2 349.438 2.011 20 30 EEEDLO N#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001087430026 774755337 /nfs/dbraw/zinc/75/53/37/774755337.db2.gz RLGBRRQWEIEVDX-YWTNHNAXSA-N 1 2 349.438 2.011 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2nc(C)sc2C)C1 ZINC001032048306 783209578 /nfs/dbraw/zinc/20/95/78/783209578.db2.gz ZBGAEQKVUJJTLZ-RDJZCZTQSA-N 1 2 349.500 2.289 20 30 EEEDLO Cc1ccc(S(=O)(=O)CCCO[NH+]=C(N)c2ccccc2)cc1 ZINC000180708998 775024723 /nfs/dbraw/zinc/02/47/23/775024723.db2.gz IXGBETSWEMBAAF-UHFFFAOYSA-N 1 2 332.425 2.496 20 30 EEEDLO CO[C@H]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031794007 775747108 /nfs/dbraw/zinc/74/71/08/775747108.db2.gz QKQQTUFHMBEPNC-AEFFLSMTSA-N 1 2 345.418 2.060 20 30 EEEDLO Cc1nc(C(=O)N2CCC[N@H+](Cc3ccc(F)c(C#N)c3)CC2)c[nH]1 ZINC000980842284 775787653 /nfs/dbraw/zinc/78/76/53/775787653.db2.gz AUSNKTOJOPOQCR-UHFFFAOYSA-N 1 2 341.390 2.077 20 30 EEEDLO Cc1nc(C(=O)N2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)CC2)c[nH]1 ZINC000980842284 775787661 /nfs/dbraw/zinc/78/76/61/775787661.db2.gz AUSNKTOJOPOQCR-UHFFFAOYSA-N 1 2 341.390 2.077 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000980850422 775809256 /nfs/dbraw/zinc/80/92/56/775809256.db2.gz UASKMALSCFYMIL-HNNXBMFYSA-N 1 2 329.831 2.385 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000980850422 775809267 /nfs/dbraw/zinc/80/92/67/775809267.db2.gz UASKMALSCFYMIL-HNNXBMFYSA-N 1 2 329.831 2.385 20 30 EEEDLO CCC[C@H](C)CCCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001212330856 775867966 /nfs/dbraw/zinc/86/79/66/775867966.db2.gz WMPFEPYBGBLTHH-RCCFBDPRSA-N 1 2 338.492 2.058 20 30 EEEDLO CCC[C@H](C)CCCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001212330856 775867974 /nfs/dbraw/zinc/86/79/74/775867974.db2.gz WMPFEPYBGBLTHH-RCCFBDPRSA-N 1 2 338.492 2.058 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(C)C(=O)C2 ZINC001028002714 775944191 /nfs/dbraw/zinc/94/41/91/775944191.db2.gz GOVUCGWXIKAQMK-OAHLLOKOSA-N 1 2 347.846 2.152 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(C)C(=O)C2 ZINC001028002714 775944198 /nfs/dbraw/zinc/94/41/98/775944198.db2.gz GOVUCGWXIKAQMK-OAHLLOKOSA-N 1 2 347.846 2.152 20 30 EEEDLO COCc1ccc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)o1 ZINC001031830916 776866630 /nfs/dbraw/zinc/86/66/30/776866630.db2.gz RKAFABJJPAQMRA-UHFFFAOYSA-N 1 2 339.395 2.159 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@H]1CCC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC000981313441 777137347 /nfs/dbraw/zinc/13/73/47/777137347.db2.gz DBIYMNCUSQKGOM-GJZGRUSLSA-N 1 2 341.390 2.251 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N(CC)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106915877 777218002 /nfs/dbraw/zinc/21/80/02/777218002.db2.gz YRDFKVIOMMWLII-CYBMUJFWSA-N 1 2 334.468 2.109 20 30 EEEDLO CO[C@@H]1CC[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)C1 ZINC000981498432 777553525 /nfs/dbraw/zinc/55/35/25/777553525.db2.gz KHAJTNMYVAFNQD-HUUCEWRRSA-N 1 2 347.484 2.469 20 30 EEEDLO CO[C@@H]1CC[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)C1 ZINC000981498432 777553532 /nfs/dbraw/zinc/55/35/32/777553532.db2.gz KHAJTNMYVAFNQD-HUUCEWRRSA-N 1 2 347.484 2.469 20 30 EEEDLO C[C@@H]1CO[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000981643822 777902445 /nfs/dbraw/zinc/90/24/45/777902445.db2.gz BETJUQHFCDBLPB-KBXCAEBGSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1CO[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000981643822 777902451 /nfs/dbraw/zinc/90/24/51/777902451.db2.gz BETJUQHFCDBLPB-KBXCAEBGSA-N 1 2 345.418 2.157 20 30 EEEDLO Cc1nocc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001028113443 777960901 /nfs/dbraw/zinc/96/09/01/777960901.db2.gz MYICTHMVBXZFJG-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nocc1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001028113443 777960904 /nfs/dbraw/zinc/96/09/04/777960904.db2.gz MYICTHMVBXZFJG-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO CC[C@H](F)C(=O)N1CCC[N@H+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000981763906 778159348 /nfs/dbraw/zinc/15/93/48/778159348.db2.gz MFLGGDYUOJIHKG-INIZCTEOSA-N 1 2 333.407 2.349 20 30 EEEDLO CC[C@H](F)C(=O)N1CCC[N@@H+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000981763906 778159352 /nfs/dbraw/zinc/15/93/52/778159352.db2.gz MFLGGDYUOJIHKG-INIZCTEOSA-N 1 2 333.407 2.349 20 30 EEEDLO C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccc(C#N)nc2)C1)n1cc[nH+]c1 ZINC001091408047 790619519 /nfs/dbraw/zinc/61/95/19/790619519.db2.gz HPQFVQMIBZYDLE-GRDNDAEWSA-N 1 2 338.415 2.108 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[N@@H+](Cc3cnnn3CC)CC2)CC1 ZINC000981885184 778482710 /nfs/dbraw/zinc/48/27/10/778482710.db2.gz NEJCGSCFTQEIEY-UHFFFAOYSA-N 1 2 331.464 2.079 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[N@H+](Cc3cnnn3CC)CC2)CC1 ZINC000981885184 778482712 /nfs/dbraw/zinc/48/27/12/778482712.db2.gz NEJCGSCFTQEIEY-UHFFFAOYSA-N 1 2 331.464 2.079 20 30 EEEDLO C[C@@H](C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000981912751 778515553 /nfs/dbraw/zinc/51/55/53/778515553.db2.gz PPLDVJFXFNHXNQ-UYAOXDASSA-N 1 2 340.467 2.388 20 30 EEEDLO C[C@@H](C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000981912751 778515557 /nfs/dbraw/zinc/51/55/57/778515557.db2.gz PPLDVJFXFNHXNQ-UYAOXDASSA-N 1 2 340.467 2.388 20 30 EEEDLO CCn1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3C#N)CC2)n1 ZINC000982084219 779040316 /nfs/dbraw/zinc/04/03/16/779040316.db2.gz KOOGUZHFJRRBAI-UHFFFAOYSA-N 1 2 337.427 2.123 20 30 EEEDLO CCn1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)n1 ZINC000982084219 779040321 /nfs/dbraw/zinc/04/03/21/779040321.db2.gz KOOGUZHFJRRBAI-UHFFFAOYSA-N 1 2 337.427 2.123 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC2(C1)CCC[N@H+](Cc1ccon1)C2 ZINC000982130856 779155646 /nfs/dbraw/zinc/15/56/46/779155646.db2.gz HXGKYHNTLIAHNP-UHFFFAOYSA-N 1 2 349.434 2.323 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC2(C1)CCC[N@@H+](Cc1ccon1)C2 ZINC000982130856 779155651 /nfs/dbraw/zinc/15/56/51/779155651.db2.gz HXGKYHNTLIAHNP-UHFFFAOYSA-N 1 2 349.434 2.323 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)c2ncc(C)o2)cn1 ZINC001028270773 779839705 /nfs/dbraw/zinc/83/97/05/779839705.db2.gz SCCZFQBHELSIFH-PBHICJAKSA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)c2ncc(C)o2)cn1 ZINC001028270773 779839714 /nfs/dbraw/zinc/83/97/14/779839714.db2.gz SCCZFQBHELSIFH-PBHICJAKSA-N 1 2 338.411 2.315 20 30 EEEDLO CCC#CCOC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000893839832 780231422 /nfs/dbraw/zinc/23/14/22/780231422.db2.gz AJOPNXLKWGZCQY-RHSMWYFYSA-N 1 2 331.416 2.066 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000941529926 780670205 /nfs/dbraw/zinc/67/02/05/780670205.db2.gz ZEXJCQIXZMZXTI-CQSZACIVSA-N 1 2 340.427 2.267 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nnc1-c1ccccc1 ZINC001028337023 780812631 /nfs/dbraw/zinc/81/26/31/780812631.db2.gz GGIJLLPAMUEZGC-CQSZACIVSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]nnc1-c1ccccc1 ZINC001028337023 780812643 /nfs/dbraw/zinc/81/26/43/780812643.db2.gz GGIJLLPAMUEZGC-CQSZACIVSA-N 1 2 345.834 2.418 20 30 EEEDLO CCOc1cc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)ccn1 ZINC001031965350 780854513 /nfs/dbraw/zinc/85/45/13/780854513.db2.gz JXFXSTGQHPZJMZ-UHFFFAOYSA-N 1 2 349.434 2.194 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000941840986 781201507 /nfs/dbraw/zinc/20/15/07/781201507.db2.gz VEJDAJKKBNOMNK-AWEZNQCLSA-N 1 2 344.459 2.103 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ocnc2C(F)F)C1 ZINC001031978707 781327010 /nfs/dbraw/zinc/32/70/10/781327010.db2.gz VTEUFYVCMFOPQD-UHFFFAOYSA-N 1 2 346.337 2.346 20 30 EEEDLO Cc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)c(C)s1 ZINC001075780428 781511377 /nfs/dbraw/zinc/51/13/77/781511377.db2.gz MODJAPXNDOMMDY-DOTOQJQBSA-N 1 2 329.469 2.206 20 30 EEEDLO Cc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)c(C)s1 ZINC001075780428 781511379 /nfs/dbraw/zinc/51/13/79/781511379.db2.gz MODJAPXNDOMMDY-DOTOQJQBSA-N 1 2 329.469 2.206 20 30 EEEDLO CCN(CCNc1ccc(C#N)c(C)n1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001106965186 781623862 /nfs/dbraw/zinc/62/38/62/781623862.db2.gz VSNAXXTWKSQRFK-AWEZNQCLSA-N 1 2 340.431 2.370 20 30 EEEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001101326649 781732581 /nfs/dbraw/zinc/73/25/81/781732581.db2.gz ZTIJYWMVVUNTAH-QAPCUYQASA-N 1 2 346.500 2.402 20 30 EEEDLO C#CCCCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nncs3)C[C@@]2(C)C1 ZINC001101326649 781732586 /nfs/dbraw/zinc/73/25/86/781732586.db2.gz ZTIJYWMVVUNTAH-QAPCUYQASA-N 1 2 346.500 2.402 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1nc(C)c(C)o1 ZINC001087548594 781801855 /nfs/dbraw/zinc/80/18/55/781801855.db2.gz DQZPNXWOYAFEEH-JKSUJKDBSA-N 1 2 341.415 2.274 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1nc(C)c(C)o1 ZINC001087548594 781801861 /nfs/dbraw/zinc/80/18/61/781801861.db2.gz DQZPNXWOYAFEEH-JKSUJKDBSA-N 1 2 341.415 2.274 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2coc(C)n2)C1 ZINC001131938383 783493853 /nfs/dbraw/zinc/49/38/53/783493853.db2.gz GJJQPEPHPJTZTC-GDBMZVCRSA-N 1 2 335.448 2.435 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2coc(C)n2)C1 ZINC001131938383 783493858 /nfs/dbraw/zinc/49/38/58/783493858.db2.gz GJJQPEPHPJTZTC-GDBMZVCRSA-N 1 2 335.448 2.435 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ncc(C)o2)C1 ZINC001131939770 783497140 /nfs/dbraw/zinc/49/71/40/783497140.db2.gz VHYGUHNBOLFPSN-ZBFHGGJFSA-N 1 2 335.448 2.435 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ncc(C)o2)C1 ZINC001131939770 783497145 /nfs/dbraw/zinc/49/71/45/783497145.db2.gz VHYGUHNBOLFPSN-ZBFHGGJFSA-N 1 2 335.448 2.435 20 30 EEEDLO CCc1ccc(C#CC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000816522594 784114292 /nfs/dbraw/zinc/11/42/92/784114292.db2.gz GNZQCTPQCJYCED-CALCHBBNSA-N 1 2 328.456 2.168 20 30 EEEDLO CCc1ccc(C#CC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000816522594 784114295 /nfs/dbraw/zinc/11/42/95/784114295.db2.gz GNZQCTPQCJYCED-CALCHBBNSA-N 1 2 328.456 2.168 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)n([C@H](C)C3CC3)n2)C1 ZINC001035423873 784467245 /nfs/dbraw/zinc/46/72/45/784467245.db2.gz MTZYMQJNUTUYGS-NVXWUHKLSA-N 1 2 346.475 2.169 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(C)n([C@H](C)C3CC3)n2)C1 ZINC001035423873 784467250 /nfs/dbraw/zinc/46/72/50/784467250.db2.gz MTZYMQJNUTUYGS-NVXWUHKLSA-N 1 2 346.475 2.169 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C)c(Cl)c2F)C1 ZINC001035461966 784583243 /nfs/dbraw/zinc/58/32/43/784583243.db2.gz YMXQXDQRUKUTSP-GFCCVEGCSA-N 1 2 326.799 2.404 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(C)c(Cl)c2F)C1 ZINC001035461966 784583248 /nfs/dbraw/zinc/58/32/48/784583248.db2.gz YMXQXDQRUKUTSP-GFCCVEGCSA-N 1 2 326.799 2.404 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn(C)nc2C2CCCC2)C1 ZINC001035500842 784598786 /nfs/dbraw/zinc/59/87/86/784598786.db2.gz RFHMRRXMLGOGNQ-INIZCTEOSA-N 1 2 346.475 2.084 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cn(C)nc2C2CCCC2)C1 ZINC001035500842 784598789 /nfs/dbraw/zinc/59/87/89/784598789.db2.gz RFHMRRXMLGOGNQ-INIZCTEOSA-N 1 2 346.475 2.084 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2C2CCCCC2)C1 ZINC001035571823 784705733 /nfs/dbraw/zinc/70/57/33/784705733.db2.gz KLRWRQMQGJSKOO-INIZCTEOSA-N 1 2 346.475 2.464 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2C2CCCCC2)C1 ZINC001035571823 784705738 /nfs/dbraw/zinc/70/57/38/784705738.db2.gz KLRWRQMQGJSKOO-INIZCTEOSA-N 1 2 346.475 2.464 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC001035572592 784707872 /nfs/dbraw/zinc/70/78/72/784707872.db2.gz BUOXEQCGLBGWCF-GOEBONIOSA-N 1 2 334.464 2.169 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC001035572592 784707877 /nfs/dbraw/zinc/70/78/77/784707877.db2.gz BUOXEQCGLBGWCF-GOEBONIOSA-N 1 2 334.464 2.169 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC001035564175 784740441 /nfs/dbraw/zinc/74/04/41/784740441.db2.gz OIAQNIDEGMKWAV-KRWDZBQOSA-N 1 2 340.427 2.083 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC001035564175 784740447 /nfs/dbraw/zinc/74/04/47/784740447.db2.gz OIAQNIDEGMKWAV-KRWDZBQOSA-N 1 2 340.427 2.083 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2OCC2CC2)C1 ZINC001035608924 784845182 /nfs/dbraw/zinc/84/51/82/784845182.db2.gz MKFKBOUMRBKBET-KRWDZBQOSA-N 1 2 344.455 2.482 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2OCC2CC2)C1 ZINC001035608924 784845196 /nfs/dbraw/zinc/84/51/96/784845196.db2.gz MKFKBOUMRBKBET-KRWDZBQOSA-N 1 2 344.455 2.482 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCOCC1)CC2 ZINC001035695843 784973682 /nfs/dbraw/zinc/97/36/82/784973682.db2.gz CTRLJADZMCFQQX-OAHLLOKOSA-N 1 2 326.868 2.480 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1ccc3n[nH]nc3c1)CC2 ZINC001035848510 785225203 /nfs/dbraw/zinc/22/52/03/785225203.db2.gz VVOJOWWBTZOAHG-UHFFFAOYSA-N 1 2 345.834 2.248 20 30 EEEDLO Cc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)c(OC[C@H]2CCCO2)c1 ZINC000819422892 785556217 /nfs/dbraw/zinc/55/62/17/785556217.db2.gz ARMBXVCHZWSKOL-DLBZAZTESA-N 1 2 347.459 2.171 20 30 EEEDLO Cc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)c(OC[C@H]2CCCO2)c1 ZINC000819422892 785556223 /nfs/dbraw/zinc/55/62/23/785556223.db2.gz ARMBXVCHZWSKOL-DLBZAZTESA-N 1 2 347.459 2.171 20 30 EEEDLO Cc1nsc(NC[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)c1C#N ZINC001063480866 791125602 /nfs/dbraw/zinc/12/56/02/791125602.db2.gz OOJBQOQMQNBTKB-GFCCVEGCSA-N 1 2 344.444 2.082 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C3(CC)CCCC3)nn2)C1 ZINC001107226016 786497111 /nfs/dbraw/zinc/49/71/11/786497111.db2.gz LOSWNAHBXSDIOC-UHFFFAOYSA-N 1 2 331.464 2.298 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](C)C3CCCC3)nn2)C1 ZINC001107227797 786555314 /nfs/dbraw/zinc/55/53/14/786555314.db2.gz SFYYHFVTZWISTH-CQSZACIVSA-N 1 2 331.464 2.153 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)CCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001109582604 805713137 /nfs/dbraw/zinc/71/31/37/805713137.db2.gz DKXYRGJNJKAFFN-CQSZACIVSA-N 1 2 334.468 2.109 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)CCCNc1[nH+]cnc2c1cnn2C ZINC001109582601 805713235 /nfs/dbraw/zinc/71/32/35/805713235.db2.gz DHKLWRGEVSQJOQ-CYBMUJFWSA-N 1 2 330.436 2.226 20 30 EEEDLO C=CCOc1cccnc1C(=O)NC/C=C/CNc1cc[nH+]c(C)n1 ZINC001107334192 786880420 /nfs/dbraw/zinc/88/04/20/786880420.db2.gz WOKNOUKOCMHWDX-SNAWJCMRSA-N 1 2 339.399 2.143 20 30 EEEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nc(COC)no1)CC2 ZINC001107327304 786898566 /nfs/dbraw/zinc/89/85/66/786898566.db2.gz XHTKTYWSGDLADB-RDTXWAMCSA-N 1 2 348.447 2.043 20 30 EEEDLO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nc(COC)no1)CC2 ZINC001107327304 786898583 /nfs/dbraw/zinc/89/85/83/786898583.db2.gz XHTKTYWSGDLADB-RDTXWAMCSA-N 1 2 348.447 2.043 20 30 EEEDLO Cc1nnc(C[N@@H+]2CC[C@@]3(CNC(=O)C#CC4CC4)CCC[C@@H]23)s1 ZINC001107398455 787127623 /nfs/dbraw/zinc/12/76/23/787127623.db2.gz WVAVLIDNFDJGHR-CRAIPNDOSA-N 1 2 344.484 2.121 20 30 EEEDLO Cc1nnc(C[N@H+]2CC[C@@]3(CNC(=O)C#CC4CC4)CCC[C@@H]23)s1 ZINC001107398455 787127628 /nfs/dbraw/zinc/12/76/28/787127628.db2.gz WVAVLIDNFDJGHR-CRAIPNDOSA-N 1 2 344.484 2.121 20 30 EEEDLO Cc1cc(N(C)C[C@H]2CCN(C(=O)[C@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001062096063 787376961 /nfs/dbraw/zinc/37/69/61/787376961.db2.gz GFABMLDAXQFDID-TZMCWYRMSA-N 1 2 327.432 2.107 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2Cl)[C@H](O)C1 ZINC001090748669 788034719 /nfs/dbraw/zinc/03/47/19/788034719.db2.gz YLIZVADBIJSGAT-UONOGXRCSA-N 1 2 329.227 2.258 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2Cl)[C@H](O)C1 ZINC001090748669 788034725 /nfs/dbraw/zinc/03/47/25/788034725.db2.gz YLIZVADBIJSGAT-UONOGXRCSA-N 1 2 329.227 2.258 20 30 EEEDLO CC(C)(F)C(=O)NC[C@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107683656 788054745 /nfs/dbraw/zinc/05/47/45/788054745.db2.gz RIWMWJKQONRDIA-GOSISDBHSA-N 1 2 333.407 2.013 20 30 EEEDLO CC(C)(F)C(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107683656 788054752 /nfs/dbraw/zinc/05/47/52/788054752.db2.gz RIWMWJKQONRDIA-GOSISDBHSA-N 1 2 333.407 2.013 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)[nH+]c(C)c2C)cc1 ZINC001062553923 788215881 /nfs/dbraw/zinc/21/58/81/788215881.db2.gz XCMIIIJYQRYMPF-OALUTQOASA-N 1 2 346.434 2.486 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)cn2CC)[C@@H](O)C1 ZINC001090818454 788423449 /nfs/dbraw/zinc/42/34/49/788423449.db2.gz OGAHLZUAHFLWCF-OCCSQVGLSA-N 1 2 346.258 2.079 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)cn2CC)[C@@H](O)C1 ZINC001090818454 788423457 /nfs/dbraw/zinc/42/34/57/788423457.db2.gz OGAHLZUAHFLWCF-OCCSQVGLSA-N 1 2 346.258 2.079 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccc(C)cc23)[C@H](O)C1 ZINC001090832885 788468236 /nfs/dbraw/zinc/46/82/36/788468236.db2.gz JIQDEOKKGKIYCB-IAGOWNOFSA-N 1 2 347.846 2.394 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c3ccc(C)cc23)[C@H](O)C1 ZINC001090832885 788468242 /nfs/dbraw/zinc/46/82/42/788468242.db2.gz JIQDEOKKGKIYCB-IAGOWNOFSA-N 1 2 347.846 2.394 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)cccc2F)[C@@H](O)C1 ZINC001090843862 788529452 /nfs/dbraw/zinc/52/94/52/788529452.db2.gz LYJCKGNWXLXSAS-KBPBESRZSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)cccc2F)[C@@H](O)C1 ZINC001090843862 788529461 /nfs/dbraw/zinc/52/94/61/788529461.db2.gz LYJCKGNWXLXSAS-KBPBESRZSA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnc(C(C)C)s2)[C@H](O)C1 ZINC001090859314 788606885 /nfs/dbraw/zinc/60/68/85/788606885.db2.gz VBMNLXBCBVEFJJ-VXGBXAGGSA-N 1 2 343.880 2.184 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnc(C(C)C)s2)[C@H](O)C1 ZINC001090859314 788606890 /nfs/dbraw/zinc/60/68/90/788606890.db2.gz 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EEEDLO N#Cc1c(F)cccc1NCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001094112471 795935644 /nfs/dbraw/zinc/93/56/44/795935644.db2.gz YHEOJJZQDKDQIU-LLVKDONJSA-N 1 2 327.363 2.069 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CC)c(CCC)s2)C1 ZINC001078162599 796030604 /nfs/dbraw/zinc/03/06/04/796030604.db2.gz XSLSYTSTZFPDTM-HUUCEWRRSA-N 1 2 334.485 2.061 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(CC)c(CCC)s2)C1 ZINC001078162599 796030613 /nfs/dbraw/zinc/03/06/13/796030613.db2.gz XSLSYTSTZFPDTM-HUUCEWRRSA-N 1 2 334.485 2.061 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3CCCC3(C)C)nn2)C1 ZINC001094310085 796077453 /nfs/dbraw/zinc/07/74/53/796077453.db2.gz DEYITZKMNDZSDL-MRXNPFEDSA-N 1 2 331.464 2.153 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cccc(C(C)C)c3)nn2)C1 ZINC001094334133 796108356 /nfs/dbraw/zinc/10/83/56/796108356.db2.gz PQLQSUNFOMSDHP-UHFFFAOYSA-N 1 2 339.443 2.374 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nccs2)C[C@H]1C ZINC001080588683 796221340 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332.448 2.418 20 30 EEEDLO C#Cc1ccc(C(=O)NC2C[NH+](Cc3ccc4cc[nH]c4c3)C2)cn1 ZINC001031279506 796644657 /nfs/dbraw/zinc/64/46/57/796644657.db2.gz GILYRJFOUSTOIU-UHFFFAOYSA-N 1 2 330.391 2.158 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccn(C)n2)[C@@H]1C ZINC000993445551 796711768 /nfs/dbraw/zinc/71/17/68/796711768.db2.gz LMWNVEZPDKXXLI-WBVHZDCISA-N 1 2 341.459 2.191 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccn(C)n2)[C@@H]1C ZINC000993445551 796711772 /nfs/dbraw/zinc/71/17/72/796711772.db2.gz LMWNVEZPDKXXLI-WBVHZDCISA-N 1 2 341.459 2.191 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H](C)C1CC1 ZINC001081500626 796780845 /nfs/dbraw/zinc/78/08/45/796780845.db2.gz SSMVQIRVCPOLFG-JBBXEZCESA-N 1 2 345.418 2.059 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H](C)C1CC1 ZINC001081500626 796780850 /nfs/dbraw/zinc/78/08/50/796780850.db2.gz SSMVQIRVCPOLFG-JBBXEZCESA-N 1 2 345.418 2.059 20 30 EEEDLO 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796850580 /nfs/dbraw/zinc/85/05/80/796850580.db2.gz KEEBQROTASRGRM-STQMWFEESA-N 1 2 345.834 2.360 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C(C)C)C1 ZINC000993625680 796881370 /nfs/dbraw/zinc/88/13/70/796881370.db2.gz VNIBQULUVWQNRY-HUUCEWRRSA-N 1 2 346.475 2.089 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccns3)[C@H]2C)c1 ZINC000993774755 797013862 /nfs/dbraw/zinc/01/38/62/797013862.db2.gz UBMLHQNQQXWHMF-SUMWQHHRSA-N 1 2 340.452 2.302 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccns3)[C@H]2C)c1 ZINC000993774755 797013872 /nfs/dbraw/zinc/01/38/72/797013872.db2.gz UBMLHQNQQXWHMF-SUMWQHHRSA-N 1 2 340.452 2.302 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2c(C)nn(C)c2OC)[C@@H]1C ZINC000993916422 797157082 /nfs/dbraw/zinc/15/70/82/797157082.db2.gz LFBOSXJZRQXGJM-QWHCGFSZSA-N 1 2 340.855 2.072 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2c(C)nn(C)c2OC)[C@@H]1C ZINC000993916422 797157084 /nfs/dbraw/zinc/15/70/84/797157084.db2.gz 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/nfs/dbraw/zinc/31/61/01/798316101.db2.gz RHKKWUSBSQQRQR-OWCLPIDISA-N 1 2 331.847 2.397 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H](C)n2cccc2)C1 ZINC001150612522 798496623 /nfs/dbraw/zinc/49/66/23/798496623.db2.gz BMZQJKOFONOQFR-HOTGVXAUSA-N 1 2 339.867 2.399 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C[C@H](C)n2cccc2)C1 ZINC001150612522 798496626 /nfs/dbraw/zinc/49/66/26/798496626.db2.gz BMZQJKOFONOQFR-HOTGVXAUSA-N 1 2 339.867 2.399 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc(Cl)cn3)[C@@H]2C1 ZINC001084848407 798502201 /nfs/dbraw/zinc/50/22/01/798502201.db2.gz KNFHMXIXHLLGDS-TZMCWYRMSA-N 1 2 343.258 2.212 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc(Cl)cn3)[C@@H]2C1 ZINC001084848407 798502202 /nfs/dbraw/zinc/50/22/02/798502202.db2.gz KNFHMXIXHLLGDS-TZMCWYRMSA-N 1 2 343.258 2.212 20 30 EEEDLO Cc1ncsc1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038083250 798646952 /nfs/dbraw/zinc/64/69/52/798646952.db2.gz OKEZWWLSFZXYGM-OAHLLOKOSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1ncsc1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038083250 798646954 /nfs/dbraw/zinc/64/69/54/798646954.db2.gz OKEZWWLSFZXYGM-OAHLLOKOSA-N 1 2 326.425 2.328 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCCOCCC=C)C[C@@H]21 ZINC001177013664 798695245 /nfs/dbraw/zinc/69/52/45/798695245.db2.gz UNKGDXDIPIEWGG-OALUTQOASA-N 1 2 348.487 2.074 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCCOCCC=C)C[C@@H]21 ZINC001177013664 798695248 /nfs/dbraw/zinc/69/52/48/798695248.db2.gz UNKGDXDIPIEWGG-OALUTQOASA-N 1 2 348.487 2.074 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](CCOCC)[C@@H]2C1 ZINC001177019973 798698491 /nfs/dbraw/zinc/69/84/91/798698491.db2.gz UZKFRILUZGKRAP-HUUCEWRRSA-N 1 2 344.883 2.103 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](CCOCC)[C@@H]2C1 ZINC001177019973 798698495 /nfs/dbraw/zinc/69/84/95/798698495.db2.gz UZKFRILUZGKRAP-HUUCEWRRSA-N 1 2 344.883 2.103 20 30 EEEDLO CC(C)C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1cccc(CC#N)c1 ZINC000922027070 798699565 /nfs/dbraw/zinc/69/95/65/798699565.db2.gz URXHEQUMQQJQNN-INIZCTEOSA-N 1 2 335.473 2.103 20 30 EEEDLO CC(C)C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cccc(CC#N)c1 ZINC000922027070 798699566 /nfs/dbraw/zinc/69/95/66/798699566.db2.gz URXHEQUMQQJQNN-INIZCTEOSA-N 1 2 335.473 2.103 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](Cc2coc(C)n2)CC1 ZINC001002847859 798712356 /nfs/dbraw/zinc/71/23/56/798712356.db2.gz GLULOJDJFGRTBT-SJORKVTESA-N 1 2 333.432 2.045 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)CC=C)C[C@H]21 ZINC001177106799 798753744 /nfs/dbraw/zinc/75/37/44/798753744.db2.gz HTJWYDQLMZQBTO-SJORKVTESA-N 1 2 336.476 2.093 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)CC=C)C[C@H]21 ZINC001177106799 798753747 /nfs/dbraw/zinc/75/37/47/798753747.db2.gz HTJWYDQLMZQBTO-SJORKVTESA-N 1 2 336.476 2.093 20 30 EEEDLO Cc1cc(N(C)[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001061179466 798763400 /nfs/dbraw/zinc/76/34/00/798763400.db2.gz RSBZNFMCBZRSLD-WFASDCNBSA-N 1 2 327.432 2.249 20 30 EEEDLO C=CCCCCC[N@H+]1CCO[C@H]2CCN(C(=O)c3nonc3C)C[C@@H]21 ZINC001177158730 798780670 /nfs/dbraw/zinc/78/06/70/798780670.db2.gz ZQMBGBATJUMDAT-HOTGVXAUSA-N 1 2 348.447 2.040 20 30 EEEDLO C=CCCCCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3nonc3C)C[C@@H]21 ZINC001177158730 798780677 /nfs/dbraw/zinc/78/06/77/798780677.db2.gz ZQMBGBATJUMDAT-HOTGVXAUSA-N 1 2 348.447 2.040 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)C[C@@H](C)C3CC3)C2)CC1 ZINC001065707210 799356831 /nfs/dbraw/zinc/35/68/31/799356831.db2.gz QZQHCGBSMROMDH-AEFFLSMTSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C[C@H](C)CC)CC2)C1 ZINC001065691280 799365546 /nfs/dbraw/zinc/36/55/46/799365546.db2.gz JMBARHPAXJCKEB-SJORKVTESA-N 1 2 335.492 2.134 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@]3(C)C=CCC3)CC2)C1 ZINC001065695527 799374989 /nfs/dbraw/zinc/37/49/89/799374989.db2.gz XJFYOUPEGKQEMX-PXNSSMCTSA-N 1 2 345.487 2.054 20 30 EEEDLO C#CCCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CCCCC)CC2)C1 ZINC001065700426 799389077 /nfs/dbraw/zinc/38/90/77/799389077.db2.gz QIZCTEGIXSOGSS-GOSISDBHSA-N 1 2 347.503 2.115 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)/C(C)=C/CC)CC2)C1 ZINC001065708904 799402598 /nfs/dbraw/zinc/40/25/98/799402598.db2.gz MCGMGRJJVZXTER-QLGNDSFESA-N 1 2 347.503 2.300 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC3CC3)CC2)C1 ZINC001065711991 799409907 /nfs/dbraw/zinc/40/99/07/799409907.db2.gz SMXAAYGWEWSKMX-SJLPKXTDSA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](C)CC(F)F)c2C1 ZINC001128421839 799425640 /nfs/dbraw/zinc/42/56/40/799425640.db2.gz RWLPMXCOYWQQQK-LBPRGKRZSA-N 1 2 326.391 2.182 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](C)CC(F)F)c2C1 ZINC001128421839 799425645 /nfs/dbraw/zinc/42/56/45/799425645.db2.gz RWLPMXCOYWQQQK-LBPRGKRZSA-N 1 2 326.391 2.182 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CCc2cscn2)C1 ZINC001150803621 799483387 /nfs/dbraw/zinc/48/33/87/799483387.db2.gz OSSSKVSBLJBVDM-CQSZACIVSA-N 1 2 343.880 2.035 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CCc2cscn2)C1 ZINC001150803621 799483390 /nfs/dbraw/zinc/48/33/90/799483390.db2.gz OSSSKVSBLJBVDM-CQSZACIVSA-N 1 2 343.880 2.035 20 30 EEEDLO CC(C)C#CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(C(C)C)no2)[C@@H]1C ZINC001178636670 799557609 /nfs/dbraw/zinc/55/76/09/799557609.db2.gz GMLUWIDESKMWDP-KKUMJFAQSA-N 1 2 332.448 2.492 20 30 EEEDLO C[C@H]1[C@@H]([NH2+]Cc2nc(C3CCC3)no2)CCN1C(=O)C#CC(C)(C)C ZINC001178674902 799572977 /nfs/dbraw/zinc/57/29/77/799572977.db2.gz BDEBEHALCCWGGT-ZFWWWQNUSA-N 1 2 344.459 2.466 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCc1cnn2c1C[N@H+](C[C@H](CC)OC)CC2 ZINC001128463114 799684456 /nfs/dbraw/zinc/68/44/56/799684456.db2.gz BCOKXKXFJVTUHM-WBVHZDCISA-N 1 2 348.491 2.342 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCc1cnn2c1C[N@@H+](C[C@H](CC)OC)CC2 ZINC001128463114 799684459 /nfs/dbraw/zinc/68/44/59/799684459.db2.gz BCOKXKXFJVTUHM-WBVHZDCISA-N 1 2 348.491 2.342 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2cn(CCC(C)C)nn2)CC1 ZINC001003611655 799880892 /nfs/dbraw/zinc/88/08/92/799880892.db2.gz YDKWWIFSKAXIFO-UHFFFAOYSA-N 1 2 339.871 2.271 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@@]2(C)C[N@H+](CCc3ccns3)CCO2)C1 ZINC001108202261 799927374 /nfs/dbraw/zinc/92/73/74/799927374.db2.gz ZTLVDMJWFGUSQD-SFHVURJKSA-N 1 2 349.500 2.249 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@@]2(C)C[N@@H+](CCc3ccns3)CCO2)C1 ZINC001108202261 799927379 /nfs/dbraw/zinc/92/73/79/799927379.db2.gz ZTLVDMJWFGUSQD-SFHVURJKSA-N 1 2 349.500 2.249 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC001003655892 799958947 /nfs/dbraw/zinc/95/89/47/799958947.db2.gz QOXLCXNOSPJDFV-CVEARBPZSA-N 1 2 349.500 2.377 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC001179896549 800144009 /nfs/dbraw/zinc/14/40/09/800144009.db2.gz PUNWICASNYZBSS-AWEZNQCLSA-N 1 2 331.391 2.092 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001066184982 800158911 /nfs/dbraw/zinc/15/89/11/800158911.db2.gz RGVPTFRHPIBHQX-CVEARBPZSA-N 1 2 332.448 2.298 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001066205079 800195302 /nfs/dbraw/zinc/19/53/02/800195302.db2.gz GFMBGYYCYOVIJN-INIZCTEOSA-N 1 2 344.459 2.218 20 30 EEEDLO C[C@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001003850001 800313920 /nfs/dbraw/zinc/31/39/20/800313920.db2.gz CHIJSCLTXGSCFR-ACJLOTCBSA-N 1 2 345.418 2.203 20 30 EEEDLO C=CCCOCC(=O)N1CC[C@H]([NH2+]Cc2nc(C3CCC3)no2)[C@@H]1C ZINC001180261045 800337875 /nfs/dbraw/zinc/33/78/75/800337875.db2.gz YGGXUUSBHKEAAM-ZFWWWQNUSA-N 1 2 348.447 2.009 20 30 EEEDLO CN(C(=O)c1cocn1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032950247 800527516 /nfs/dbraw/zinc/52/75/16/800527516.db2.gz HUDMEMIKBRAZSP-INIZCTEOSA-N 1 2 327.359 2.012 20 30 EEEDLO CN(C(=O)c1cocn1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032950247 800527521 /nfs/dbraw/zinc/52/75/21/800527521.db2.gz HUDMEMIKBRAZSP-INIZCTEOSA-N 1 2 327.359 2.012 20 30 EEEDLO C=CCCC(=O)N(C)[C@H]1CCCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001112617743 806840307 /nfs/dbraw/zinc/84/03/07/806840307.db2.gz CFOBTFHHGOQLJO-AWEZNQCLSA-N 1 2 342.447 2.147 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC1(Nc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001110239690 800556756 /nfs/dbraw/zinc/55/67/56/800556756.db2.gz NNOSXRLSQCYMFW-UHFFFAOYSA-N 1 2 344.463 2.075 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@H]1CCCOC1 ZINC001085514692 800681333 /nfs/dbraw/zinc/68/13/33/800681333.db2.gz NOMZEBQBUZCZNL-IRXDYDNUSA-N 1 2 345.418 2.157 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)[C@H]1CCCOC1 ZINC001085514692 800681336 /nfs/dbraw/zinc/68/13/36/800681336.db2.gz NOMZEBQBUZCZNL-IRXDYDNUSA-N 1 2 345.418 2.157 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C2CC(F)(F)C2)C1 ZINC001032992027 800709414 /nfs/dbraw/zinc/70/94/14/800709414.db2.gz HYVCWCHZSTXEJK-NSHDSACASA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C2CC(F)(F)C2)C1 ZINC001032992027 800709417 /nfs/dbraw/zinc/70/94/17/800709417.db2.gz HYVCWCHZSTXEJK-NSHDSACASA-N 1 2 337.208 2.473 20 30 EEEDLO CCOC1CC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2ccccc2)C1 ZINC001085573857 800818828 /nfs/dbraw/zinc/81/88/28/800818828.db2.gz HQKSZXLDZUXODI-IOJLRTSASA-N 1 2 340.467 2.386 20 30 EEEDLO CCOC1CC(C(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2ccccc2)C1 ZINC001085573857 800818835 /nfs/dbraw/zinc/81/88/35/800818835.db2.gz HQKSZXLDZUXODI-IOJLRTSASA-N 1 2 340.467 2.386 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC1(F)F ZINC001085585696 800825807 /nfs/dbraw/zinc/82/58/07/800825807.db2.gz GTKXFSLIQZXNML-HUUCEWRRSA-N 1 2 349.381 2.255 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC1(F)F ZINC001085585696 800825812 /nfs/dbraw/zinc/82/58/12/800825812.db2.gz GTKXFSLIQZXNML-HUUCEWRRSA-N 1 2 349.381 2.255 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1conc1C ZINC001085641755 800956635 /nfs/dbraw/zinc/95/66/35/800956635.db2.gz WAMAZUPUSQSGCN-INIZCTEOSA-N 1 2 328.416 2.317 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1conc1C ZINC001085641755 800956637 /nfs/dbraw/zinc/95/66/37/800956637.db2.gz WAMAZUPUSQSGCN-INIZCTEOSA-N 1 2 328.416 2.317 20 30 EEEDLO N#Cc1c(F)cccc1NC1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001110290319 801171566 /nfs/dbraw/zinc/17/15/66/801171566.db2.gz SJPKGEXPCRVIBP-UHFFFAOYSA-N 1 2 327.363 2.045 20 30 EEEDLO CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110317999 801236690 /nfs/dbraw/zinc/23/66/90/801236690.db2.gz CZSQDZUULLRZIX-QVDUIBETSA-N 1 2 345.418 2.344 20 30 EEEDLO CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110317999 801236696 /nfs/dbraw/zinc/23/66/96/801236696.db2.gz CZSQDZUULLRZIX-QVDUIBETSA-N 1 2 345.418 2.344 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2ccc(F)cc2)O1 ZINC001085826580 801367930 /nfs/dbraw/zinc/36/79/30/801367930.db2.gz RVNRNQSPUNFDPT-ATZDWAIDSA-N 1 2 344.430 2.277 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2ccc(F)cc2)O1 ZINC001085826580 801367938 /nfs/dbraw/zinc/36/79/38/801367938.db2.gz RVNRNQSPUNFDPT-ATZDWAIDSA-N 1 2 344.430 2.277 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001085827390 801370212 /nfs/dbraw/zinc/37/02/12/801370212.db2.gz QLVQWEZMMMGQMD-OTWHNJEPSA-N 1 2 339.439 2.182 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001085827390 801370219 /nfs/dbraw/zinc/37/02/19/801370219.db2.gz QLVQWEZMMMGQMD-OTWHNJEPSA-N 1 2 339.439 2.182 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(COC)no2)C1 ZINC001182841891 801371962 /nfs/dbraw/zinc/37/19/62/801371962.db2.gz XGWIPJFNXODNPB-DZGCQCFKSA-N 1 2 348.447 2.236 20 30 EEEDLO C[C@@H](CCCCNc1ncccc1C#N)NC(=O)Cc1c[nH+]cn1C ZINC001090099360 801583362 /nfs/dbraw/zinc/58/33/62/801583362.db2.gz HPKDAHCHQKLQKR-AWEZNQCLSA-N 1 2 340.431 2.016 20 30 EEEDLO Cc1[nH+]c[nH]c1CSCCNC(=O)[C@@H](C#N)Cc1ccc(O)cc1 ZINC001183612293 801654384 /nfs/dbraw/zinc/65/43/84/801654384.db2.gz DXYYLXAWBFVZQP-CQSZACIVSA-N 1 2 344.440 2.156 20 30 EEEDLO C=C1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NCCc2[nH]cc(C)[nH+]2)C1 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802166418 /nfs/dbraw/zinc/16/64/18/802166418.db2.gz DEIBITWGGWMBMI-QGZVFWFLSA-N 1 2 337.427 2.174 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001033146434 802432263 /nfs/dbraw/zinc/43/22/63/802432263.db2.gz PEAFENMRVTTXGS-HNNXBMFYSA-N 1 2 328.416 2.317 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001033146434 802432268 /nfs/dbraw/zinc/43/22/68/802432268.db2.gz PEAFENMRVTTXGS-HNNXBMFYSA-N 1 2 328.416 2.317 20 30 EEEDLO Cc1c(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)c(Cl)nn1C ZINC001004602900 802467047 /nfs/dbraw/zinc/46/70/47/802467047.db2.gz WWZVXOAZOSGYBJ-CQSZACIVSA-N 1 2 349.866 2.222 20 30 EEEDLO Cc1c(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c(Cl)nn1C ZINC001004602900 802467051 /nfs/dbraw/zinc/46/70/51/802467051.db2.gz WWZVXOAZOSGYBJ-CQSZACIVSA-N 1 2 349.866 2.222 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2ccc(Cl)s2)C1 ZINC001108262051 802766794 /nfs/dbraw/zinc/76/67/94/802766794.db2.gz KPOATBJWEPBHEH-INIZCTEOSA-N 1 2 340.876 2.174 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2ccc(Cl)s2)C1 ZINC001108262051 802766799 /nfs/dbraw/zinc/76/67/99/802766799.db2.gz KPOATBJWEPBHEH-INIZCTEOSA-N 1 2 340.876 2.174 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001066503743 802805148 /nfs/dbraw/zinc/80/51/48/802805148.db2.gz MCRRVHCYFPBHJT-DNVCBOLYSA-N 1 2 346.475 2.062 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2CC[NH+](Cc3nocc3C)CC2)nc1 ZINC001006301874 802858966 /nfs/dbraw/zinc/85/89/66/802858966.db2.gz DXJVFQWWVDCRFH-UHFFFAOYSA-N 1 2 338.411 2.096 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccc3c2ccn3C)C1 ZINC001108281613 803107264 /nfs/dbraw/zinc/10/72/64/803107264.db2.gz IJIJZPYEGGQRDU-LJQANCHMSA-N 1 2 327.428 2.185 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccc3c2ccn3C)C1 ZINC001108281613 803107267 /nfs/dbraw/zinc/10/72/67/803107267.db2.gz IJIJZPYEGGQRDU-LJQANCHMSA-N 1 2 327.428 2.185 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001066561534 803205869 /nfs/dbraw/zinc/20/58/69/803205869.db2.gz NRBWBLMQDHRZHB-CQSZACIVSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](c2cccnc2)C(C)C)C1 ZINC001108302122 803258996 /nfs/dbraw/zinc/25/89/96/803258996.db2.gz GBYKLLJCDSNUKY-HKUYNNGSSA-N 1 2 331.460 2.214 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](c2cccnc2)C(C)C)C1 ZINC001108302122 803259000 /nfs/dbraw/zinc/25/90/00/803259000.db2.gz GBYKLLJCDSNUKY-HKUYNNGSSA-N 1 2 331.460 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(c3ccccc3)CCC2)[C@H](O)C1 ZINC001090418355 803328775 /nfs/dbraw/zinc/32/87/75/803328775.db2.gz XQTBCCDZYLFWEU-IAGOWNOFSA-N 1 2 348.874 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(c3ccccc3)CCC2)[C@H](O)C1 ZINC001090418355 803328779 /nfs/dbraw/zinc/32/87/79/803328779.db2.gz XQTBCCDZYLFWEU-IAGOWNOFSA-N 1 2 348.874 2.412 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001108370968 803382258 /nfs/dbraw/zinc/38/22/58/803382258.db2.gz JMGWQSVXFCPBMS-HKUYNNGSSA-N 1 2 330.428 2.041 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001108370968 803382264 /nfs/dbraw/zinc/38/22/64/803382264.db2.gz JMGWQSVXFCPBMS-HKUYNNGSSA-N 1 2 330.428 2.041 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C)C#N)c(C)[nH+]1 ZINC001005012651 803456232 /nfs/dbraw/zinc/45/62/32/803456232.db2.gz XDIRHEBPFIEQIK-SRMUXQRQSA-N 1 2 340.427 2.028 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC001108408069 803495461 /nfs/dbraw/zinc/49/54/61/803495461.db2.gz BPRBLLRXVVSJMR-AZUAARDMSA-N 1 2 344.455 2.000 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC001108408069 803495463 /nfs/dbraw/zinc/49/54/63/803495463.db2.gz BPRBLLRXVVSJMR-AZUAARDMSA-N 1 2 344.455 2.000 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cncc3ccccc32)C1 ZINC001108418005 803506195 /nfs/dbraw/zinc/50/61/95/803506195.db2.gz NAGZCPZMZDHBDQ-LJQANCHMSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cncc3ccccc32)C1 ZINC001108418005 803506200 /nfs/dbraw/zinc/50/62/00/803506200.db2.gz NAGZCPZMZDHBDQ-LJQANCHMSA-N 1 2 325.412 2.242 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001108426187 803526582 /nfs/dbraw/zinc/52/65/82/803526582.db2.gz KNHKSWDIMRIDMK-FQEVSTJZSA-N 1 2 326.440 2.408 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001108426187 803526587 /nfs/dbraw/zinc/52/65/87/803526587.db2.gz KNHKSWDIMRIDMK-FQEVSTJZSA-N 1 2 326.440 2.408 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001108432084 803553517 /nfs/dbraw/zinc/55/35/17/803553517.db2.gz BTORVPKDVKWNBB-PMACEKPBSA-N 1 2 328.456 2.284 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001108432084 803553521 /nfs/dbraw/zinc/55/35/21/803553521.db2.gz BTORVPKDVKWNBB-PMACEKPBSA-N 1 2 328.456 2.284 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)Cc2ccc(F)cc2)C1 ZINC001108434077 803564697 /nfs/dbraw/zinc/56/46/97/803564697.db2.gz MUVODKDBJSTRIY-HNAYVOBHSA-N 1 2 334.435 2.397 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)Cc2ccc(F)cc2)C1 ZINC001108434077 803564701 /nfs/dbraw/zinc/56/47/01/803564701.db2.gz MUVODKDBJSTRIY-HNAYVOBHSA-N 1 2 334.435 2.397 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CC=C(C)C)C3)C2)CCC1 ZINC001108569592 804113218 /nfs/dbraw/zinc/11/32/18/804113218.db2.gz LDBXDRXFDGGUGL-MRXNPFEDSA-N 1 2 345.487 2.100 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C[C@@H](C)CC(C)(C)C)CC2=O)C1 ZINC001108575586 804152114 /nfs/dbraw/zinc/15/21/14/804152114.db2.gz DSOKGAABUXMQFG-CABCVRRESA-N 1 2 335.492 2.036 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C[C@@H](C)C3CCCCC3)CC2=O)C1 ZINC001108580455 804189837 /nfs/dbraw/zinc/18/98/37/804189837.db2.gz MFPPKXPLAFSSIS-NVXWUHKLSA-N 1 2 347.503 2.180 20 30 EEEDLO CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001108964498 804741102 /nfs/dbraw/zinc/74/11/02/804741102.db2.gz XROPGZXZDRHARV-ZYUBPSHWSA-N 1 2 345.418 2.344 20 30 EEEDLO CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001108964498 804741113 /nfs/dbraw/zinc/74/11/13/804741113.db2.gz XROPGZXZDRHARV-ZYUBPSHWSA-N 1 2 345.418 2.344 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccc(F)cc2o1 ZINC001109088973 804949819 /nfs/dbraw/zinc/94/98/19/804949819.db2.gz VXNZUYMUAFBBEB-DWZYQQQCSA-N 1 2 342.374 2.348 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccc(F)cc2o1 ZINC001109088973 804949823 /nfs/dbraw/zinc/94/98/23/804949823.db2.gz VXNZUYMUAFBBEB-DWZYQQQCSA-N 1 2 342.374 2.348 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OC)nn1 ZINC001109350872 805337966 /nfs/dbraw/zinc/33/79/66/805337966.db2.gz HNLPIMKAGSDDDQ-PMPSAXMXSA-N 1 2 330.432 2.063 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(OC)nn1 ZINC001109350872 805337976 /nfs/dbraw/zinc/33/79/76/805337976.db2.gz HNLPIMKAGSDDDQ-PMPSAXMXSA-N 1 2 330.432 2.063 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(OC)n1 ZINC001109350821 805338164 /nfs/dbraw/zinc/33/81/64/805338164.db2.gz FJJQWMBWDVHJHK-PMPSAXMXSA-N 1 2 330.432 2.063 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(OC)n1 ZINC001109350821 805338172 /nfs/dbraw/zinc/33/81/72/805338172.db2.gz FJJQWMBWDVHJHK-PMPSAXMXSA-N 1 2 330.432 2.063 20 30 EEEDLO Cc1cc(NCCCN(C)C(=O)CSCC#N)nc(C(C)C)[nH+]1 ZINC001109365167 805361733 /nfs/dbraw/zinc/36/17/33/805361733.db2.gz RLFFPGAOYYPFRY-UHFFFAOYSA-N 1 2 335.477 2.426 20 30 EEEDLO COC(=O)[C@H]1CC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)[C@H]1C ZINC000787323678 807088253 /nfs/dbraw/zinc/08/82/53/807088253.db2.gz GHGLYIDJLHIDGG-HOCLYGCPSA-N 1 2 338.411 2.436 20 30 EEEDLO COC(=O)[C@H]1CC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)[C@H]1C ZINC000787323678 807088262 /nfs/dbraw/zinc/08/82/62/807088262.db2.gz GHGLYIDJLHIDGG-HOCLYGCPSA-N 1 2 338.411 2.436 20 30 EEEDLO C=CCOCC(=O)N1CCC[C@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112790651 807271780 /nfs/dbraw/zinc/27/17/80/807271780.db2.gz MLHDOWYAVGKGRD-INIZCTEOSA-N 1 2 332.448 2.032 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](Cc2ccccc2OC(C)C)CC1 ZINC001112801048 807295897 /nfs/dbraw/zinc/29/58/97/807295897.db2.gz CNMSRUDBWLBYKQ-HXUWFJFHSA-N 1 2 346.471 2.445 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CCc3cc(C)ccc3O2)CC1 ZINC001113099670 808134578 /nfs/dbraw/zinc/13/45/78/808134578.db2.gz FEHOGXJDWUSUOM-IBGZPJMESA-N 1 2 344.455 2.035 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC001113229084 808491528 /nfs/dbraw/zinc/49/15/28/808491528.db2.gz CNNADJKAMQXELI-KBPBESRZSA-N 1 2 328.416 2.325 20 30 EEEDLO C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H](C)Nc1cccc(F)c1C#N ZINC001113238358 808518793 /nfs/dbraw/zinc/51/87/93/808518793.db2.gz KDDOPGRFVRCNAG-CHWSQXEVSA-N 1 2 329.379 2.289 20 30 EEEDLO C=CCC1(C(=O)N2CC[NH+](CCCc3nc(C)no3)CC2)CCC1 ZINC001113312889 808705262 /nfs/dbraw/zinc/70/52/62/808705262.db2.gz WSSKGHYXINVCMU-UHFFFAOYSA-N 1 2 332.448 2.201 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](C)OC2CCCCCC2)CC1 ZINC001113331301 808742405 /nfs/dbraw/zinc/74/24/05/808742405.db2.gz QSFWCYSGHYNLEY-QGZVFWFLSA-N 1 2 338.492 2.461 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@@H](C)[C@@H](C)Nc2nccnc2C#N)c(C)[nH+]1 ZINC001113381737 808866050 /nfs/dbraw/zinc/86/60/50/808866050.db2.gz HNEGVHMBERSNDO-OLZOCXBDSA-N 1 2 338.415 2.287 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)CC(C)(C)CNc2cc[nH+]c(C)n2)nc1 ZINC001113431877 808963372 /nfs/dbraw/zinc/96/33/72/808963372.db2.gz YRNMJHOEDWTTFB-UHFFFAOYSA-N 1 2 337.427 2.372 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 ZINC001113491050 809090035 /nfs/dbraw/zinc/09/00/35/809090035.db2.gz WATSQTMJDOCPDY-UHFFFAOYSA-N 1 2 343.349 2.061 20 30 EEEDLO Cc1ccncc1C[NH+]1CCN(C(=O)CC#Cc2ccccc2)CC1 ZINC001113668596 809495809 /nfs/dbraw/zinc/49/58/09/809495809.db2.gz PSBQTCVQQRJCDN-UHFFFAOYSA-N 1 2 333.435 2.476 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](C[C@@H](OC)c2ccccc2)CC1 ZINC001113713442 809618894 /nfs/dbraw/zinc/61/88/94/809618894.db2.gz QDSYEHHOEWRDOL-FUHWJXTLSA-N 1 2 332.444 2.109 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@H](OCC)c2ccccc2)CC1 ZINC001113719950 809640136 /nfs/dbraw/zinc/64/01/36/809640136.db2.gz DRRVUKWXONYBGF-SFHVURJKSA-N 1 2 332.444 2.111 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cccc3c2OCC3(C)C)CC1 ZINC001113740622 809678484 /nfs/dbraw/zinc/67/84/84/809678484.db2.gz NIOFDMDZZOLKAH-UHFFFAOYSA-N 1 2 344.455 2.317 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001113999136 810169734 /nfs/dbraw/zinc/16/97/34/810169734.db2.gz KCLOKXMQVCGNME-VZEFYGNVSA-N 1 2 345.443 2.080 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3coc(C4CC4)n3)C[C@H]21 ZINC001113999136 810169735 /nfs/dbraw/zinc/16/97/35/810169735.db2.gz KCLOKXMQVCGNME-VZEFYGNVSA-N 1 2 345.443 2.080 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N(C)CC[C@@H](Nc1cc[nH+]c(C)n1)C(C)C ZINC001114105147 810372896 /nfs/dbraw/zinc/37/28/96/810372896.db2.gz WRLPQYUMSFRPQP-GOEBONIOSA-N 1 2 332.448 2.108 20 30 EEEDLO C#CCCCC(=O)N[C@@H](CCCC)CNc1[nH+]cnc2c1cnn2C ZINC001114244297 810670034 /nfs/dbraw/zinc/67/00/34/810670034.db2.gz YSUFAHXVQYWLAX-AWEZNQCLSA-N 1 2 342.447 2.254 20 30 EEEDLO CCCCc1nc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)cs1 ZINC001114258707 810696681 /nfs/dbraw/zinc/69/66/81/810696681.db2.gz XVYZTVSFSGRLQK-MNZLEMJZSA-N 1 2 343.496 2.446 20 30 EEEDLO CCCCc1nc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC2CC2)cs1 ZINC001114258707 810696687 /nfs/dbraw/zinc/69/66/87/810696687.db2.gz XVYZTVSFSGRLQK-MNZLEMJZSA-N 1 2 343.496 2.446 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(F)C(F)(F)F)C1 ZINC001130393095 811551118 /nfs/dbraw/zinc/55/11/18/811551118.db2.gz YTDPZKNYWBSYCR-ZWNOBZJWSA-N 1 2 348.344 2.292 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C(F)C(F)(F)F)C1 ZINC001130393095 811551125 /nfs/dbraw/zinc/55/11/25/811551125.db2.gz YTDPZKNYWBSYCR-ZWNOBZJWSA-N 1 2 348.344 2.292 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001130393095 811551129 /nfs/dbraw/zinc/55/11/29/811551129.db2.gz YTDPZKNYWBSYCR-ZWNOBZJWSA-N 1 2 348.344 2.292 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001130393095 811551136 /nfs/dbraw/zinc/55/11/36/811551136.db2.gz YTDPZKNYWBSYCR-ZWNOBZJWSA-N 1 2 348.344 2.292 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001437614405 1090122755 /nfs/dbraw/zinc/12/27/55/1090122755.db2.gz RHSQCZIOPUBMHD-UHFFFAOYSA-N 1 2 335.835 2.376 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001437614405 1090122758 /nfs/dbraw/zinc/12/27/58/1090122758.db2.gz RHSQCZIOPUBMHD-UHFFFAOYSA-N 1 2 335.835 2.376 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CCOC2CCOCC2)C1 ZINC001438265275 1090746554 /nfs/dbraw/zinc/74/65/54/1090746554.db2.gz GXNYLHXTZXEQLQ-HNNXBMFYSA-N 1 2 344.883 2.247 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CCOC2CCOCC2)C1 ZINC001438265275 1090746557 /nfs/dbraw/zinc/74/65/57/1090746557.db2.gz GXNYLHXTZXEQLQ-HNNXBMFYSA-N 1 2 344.883 2.247 20 30 EEEDLO C[C@@H](C#N)C(=O)NCCC1CC[NH+](Cc2nnc(C3CC3)s2)CC1 ZINC001438449839 1090956179 /nfs/dbraw/zinc/95/61/79/1090956179.db2.gz BTMCTELEITYEND-LBPRGKRZSA-N 1 2 347.488 2.293 20 30 EEEDLO COc1cccc(C(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)n1 ZINC001438927746 1091603107 /nfs/dbraw/zinc/60/31/07/1091603107.db2.gz XGOISYCHQRBTAH-UHFFFAOYSA-N 1 2 338.411 2.166 20 30 EEEDLO COc1cccc(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)n1 ZINC001438927746 1091603114 /nfs/dbraw/zinc/60/31/14/1091603114.db2.gz XGOISYCHQRBTAH-UHFFFAOYSA-N 1 2 338.411 2.166 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)COCc2cccnc2)[C@H]1C ZINC001449039268 1094052125 /nfs/dbraw/zinc/05/21/25/1094052125.db2.gz BLZJKGCAMMWXEI-ZBFHGGJFSA-N 1 2 337.851 2.320 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)COCc2cccnc2)[C@H]1C ZINC001449039268 1094052133 /nfs/dbraw/zinc/05/21/33/1094052133.db2.gz BLZJKGCAMMWXEI-ZBFHGGJFSA-N 1 2 337.851 2.320 20 30 EEEDLO CC[C@H](C)CC(=O)NCC[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC001441054968 1094348437 /nfs/dbraw/zinc/34/84/37/1094348437.db2.gz RPSXVWVBZQKIPX-KRWDZBQOSA-N 1 2 342.487 2.228 20 30 EEEDLO C[N@H+](CCNC(=O)c1c(F)cncc1F)Cc1cc(C#N)ccc1F ZINC001442405425 1096725564 /nfs/dbraw/zinc/72/55/64/1096725564.db2.gz AOXDEPFYYCZWGB-UHFFFAOYSA-N 1 2 348.328 2.232 20 30 EEEDLO C[N@@H+](CCNC(=O)c1c(F)cncc1F)Cc1cc(C#N)ccc1F ZINC001442405425 1096725570 /nfs/dbraw/zinc/72/55/70/1096725570.db2.gz AOXDEPFYYCZWGB-UHFFFAOYSA-N 1 2 348.328 2.232 20 30 EEEDLO CC(C)OCCC(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001496658331 1101261200 /nfs/dbraw/zinc/26/12/00/1101261200.db2.gz DSWDJNMGWYAYRV-UHFFFAOYSA-N 1 2 335.423 2.403 20 30 EEEDLO CC(C)OCCC(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001496658331 1101261206 /nfs/dbraw/zinc/26/12/06/1101261206.db2.gz DSWDJNMGWYAYRV-UHFFFAOYSA-N 1 2 335.423 2.403 20 30 EEEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001496679874 1101278728 /nfs/dbraw/zinc/27/87/28/1101278728.db2.gz NFZKTLPPDWWFKN-HZPDHXFCSA-N 1 2 344.459 2.180 20 30 EEEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H](C)C#N ZINC001496679874 1101278731 /nfs/dbraw/zinc/27/87/31/1101278731.db2.gz NFZKTLPPDWWFKN-HZPDHXFCSA-N 1 2 344.459 2.180 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1ocnc1C ZINC001447782615 1103326702 /nfs/dbraw/zinc/32/67/02/1103326702.db2.gz XNKFYJHRIBIMID-LBPRGKRZSA-N 1 2 342.237 2.428 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ocnc1C ZINC001447782615 1103326712 /nfs/dbraw/zinc/32/67/12/1103326712.db2.gz XNKFYJHRIBIMID-LBPRGKRZSA-N 1 2 342.237 2.428 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1[nH]nc2c1cccc2OC ZINC001498301304 1107249349 /nfs/dbraw/zinc/24/93/49/1107249349.db2.gz NAGLXFPUQNLUAI-LLVKDONJSA-N 1 2 336.823 2.374 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1[nH]nc2c1cccc2OC ZINC001498301304 1107249356 /nfs/dbraw/zinc/24/93/56/1107249356.db2.gz NAGLXFPUQNLUAI-LLVKDONJSA-N 1 2 336.823 2.374 20 30 EEEDLO COc1cc([C@H](C)[NH2+]C[C@@H](C#N)CCC#N)ccc1S(C)(=O)=O ZINC001473897376 1110585072 /nfs/dbraw/zinc/58/50/72/1110585072.db2.gz XXGAQVDUTJWOFJ-QWHCGFSZSA-N 1 2 335.429 2.193 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC=C(COC)CC1 ZINC001515295109 1118960997 /nfs/dbraw/zinc/96/09/97/1118960997.db2.gz HZBLFEJPZIQBQP-MRXNPFEDSA-N 1 2 331.464 2.404 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC=C(COC)CC1 ZINC001515295109 1118961001 /nfs/dbraw/zinc/96/10/01/1118961001.db2.gz HZBLFEJPZIQBQP-MRXNPFEDSA-N 1 2 331.464 2.404 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)C1CCN(OC)CC1 ZINC001515297638 1118961231 /nfs/dbraw/zinc/96/12/31/1118961231.db2.gz VWFQHHHESPYGBD-INIZCTEOSA-N 1 2 348.495 2.083 20 30 EEEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)C1CCN(OC)CC1 ZINC001515297638 1118961232 /nfs/dbraw/zinc/96/12/32/1118961232.db2.gz VWFQHHHESPYGBD-INIZCTEOSA-N 1 2 348.495 2.083 20 30 EEEDLO Cc1noc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000054678972 214251103 /nfs/dbraw/zinc/25/11/03/214251103.db2.gz CWCZOTJGTNGVRX-GFCCVEGCSA-N 1 2 339.399 2.456 20 30 EEEDLO Cc1noc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000054678969 214251328 /nfs/dbraw/zinc/25/13/28/214251328.db2.gz CWCZOTJGTNGVRX-LBPRGKRZSA-N 1 2 339.399 2.456 20 30 EEEDLO C=CC[N@@H+](Cc1cc(=O)oc2cc(C)ccc12)[C@H]1CCS(=O)(=O)C1 ZINC000066559734 215053389 /nfs/dbraw/zinc/05/33/89/215053389.db2.gz KIKMXMAILIZZCE-HNNXBMFYSA-N 1 2 347.436 2.277 20 30 EEEDLO C=CC[N@H+](Cc1cc(=O)oc2cc(C)ccc12)[C@H]1CCS(=O)(=O)C1 ZINC000066559734 215053392 /nfs/dbraw/zinc/05/33/92/215053392.db2.gz KIKMXMAILIZZCE-HNNXBMFYSA-N 1 2 347.436 2.277 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000329538429 539776190 /nfs/dbraw/zinc/77/61/90/539776190.db2.gz CAISSYAXSMNCSV-YCPHGPKFSA-N 1 2 330.432 2.145 20 30 EEEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@@H]2CCC(C)(C)C2)C1 ZINC000330104943 539788251 /nfs/dbraw/zinc/78/82/51/539788251.db2.gz JHFKHQZTLMDAGF-HUUCEWRRSA-N 1 2 331.464 2.475 20 30 EEEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@@H]2CCC(C)(C)C2)C1 ZINC000330104943 539788255 /nfs/dbraw/zinc/78/82/55/539788255.db2.gz JHFKHQZTLMDAGF-HUUCEWRRSA-N 1 2 331.464 2.475 20 30 EEEDLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(=O)Nc2cccc(C#N)c2)cs1 ZINC000072920131 236961940 /nfs/dbraw/zinc/96/19/40/236961940.db2.gz NURWOTMOKJUHGV-JTQLQIEISA-N 1 2 343.412 2.182 20 30 EEEDLO Cn1cc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)cc1C#N ZINC000191351276 239057678 /nfs/dbraw/zinc/05/76/78/239057678.db2.gz XLNOLNRHSVQSSI-UHFFFAOYSA-N 1 2 338.440 2.224 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000424661367 241003089 /nfs/dbraw/zinc/00/30/89/241003089.db2.gz FAJDLCPKYGLCMP-UHFFFAOYSA-N 1 2 349.519 2.429 20 30 EEEDLO COc1cc(C[NH+]2CCN(Cc3cc(C)on3)CC2)ccc1C#N ZINC000442794186 242114834 /nfs/dbraw/zinc/11/48/34/242114834.db2.gz CLSDVOOIROQUBX-UHFFFAOYSA-N 1 2 326.400 2.181 20 30 EEEDLO C=CCOc1ccc(CC(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1 ZINC000451663842 243196231 /nfs/dbraw/zinc/19/62/31/243196231.db2.gz BFAJUNHFXHUIHM-IBGZPJMESA-N 1 2 337.423 2.362 20 30 EEEDLO C=C(CC)CNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000456815646 244366048 /nfs/dbraw/zinc/36/60/48/244366048.db2.gz YOJYJGJTHAPWFE-MRXNPFEDSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C(CC)CNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000456815646 244366055 /nfs/dbraw/zinc/36/60/55/244366055.db2.gz YOJYJGJTHAPWFE-MRXNPFEDSA-N 1 2 332.448 2.100 20 30 EEEDLO N#Cc1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)[nH]1 ZINC000151635170 223847182 /nfs/dbraw/zinc/84/71/82/223847182.db2.gz CJQXTWAQBKDIIY-UHFFFAOYSA-N 1 2 335.367 2.436 20 30 EEEDLO COC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000112631251 220360726 /nfs/dbraw/zinc/36/07/26/220360726.db2.gz DIAAVKPEHASZHT-CYBMUJFWSA-N 1 2 347.440 2.074 20 30 EEEDLO COC(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000112631251 220360730 /nfs/dbraw/zinc/36/07/30/220360730.db2.gz DIAAVKPEHASZHT-CYBMUJFWSA-N 1 2 347.440 2.074 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CCCCO3)CC2)cc1 ZINC000267949215 256099314 /nfs/dbraw/zinc/09/93/14/256099314.db2.gz YAUZWKFJOPCQCH-SFHVURJKSA-N 1 2 327.428 2.162 20 30 EEEDLO CCc1nnc(C)cc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000273548446 256306173 /nfs/dbraw/zinc/30/61/73/256306173.db2.gz YGUHZLIHJZZHLE-UHFFFAOYSA-N 1 2 349.438 2.177 20 30 EEEDLO CCN1CCN(c2cccc(C#N)c2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000450493959 285338735 /nfs/dbraw/zinc/33/87/35/285338735.db2.gz HSUQJQZTIXYKBL-CQSZACIVSA-N 1 2 326.360 2.073 20 30 EEEDLO C#C[C@@H]1COCCN1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000491715715 533274580 /nfs/dbraw/zinc/27/45/80/533274580.db2.gz QNULIJQOIYEYPD-UKRRQHHQSA-N 1 2 348.472 2.241 20 30 EEEDLO C#C[C@@H]1COCCN1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000491715715 533274583 /nfs/dbraw/zinc/27/45/83/533274583.db2.gz QNULIJQOIYEYPD-UKRRQHHQSA-N 1 2 348.472 2.241 20 30 EEEDLO C[C@@H](C(=O)N[C@]1(C#N)CC1(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000292630610 533311325 /nfs/dbraw/zinc/31/13/25/533311325.db2.gz YTTSSXAXMRCYNC-LIRRHRJNSA-N 1 2 344.434 2.145 20 30 EEEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120483795 142391102 /nfs/dbraw/zinc/39/11/02/142391102.db2.gz DCRVFOLSRHPVGO-KBXCAEBGSA-N 1 2 337.379 2.400 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NCC[NH+](C(C)C)C(C)C)cc1C#N ZINC000074344005 159064017 /nfs/dbraw/zinc/06/40/17/159064017.db2.gz WPWIIRGHAQHQGG-UHFFFAOYSA-N 1 2 336.461 2.229 20 30 EEEDLO Cc1ccccc1CNC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000248162758 160339563 /nfs/dbraw/zinc/33/95/63/160339563.db2.gz PRMJPYDSBCEHAM-UHFFFAOYSA-N 1 2 348.450 2.305 20 30 EEEDLO CC(=O)[C@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1)C(C)C ZINC000344114167 161199411 /nfs/dbraw/zinc/19/94/11/161199411.db2.gz MOPRVWVZSLCOBR-LJQANCHMSA-N 1 2 327.428 2.252 20 30 EEEDLO CC(=O)[C@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C(C)C ZINC000344114167 161199412 /nfs/dbraw/zinc/19/94/12/161199412.db2.gz MOPRVWVZSLCOBR-LJQANCHMSA-N 1 2 327.428 2.252 20 30 EEEDLO C[C@@H](c1nncn1C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000376558226 167351442 /nfs/dbraw/zinc/35/14/42/167351442.db2.gz NLVGUEYFSPPRMV-LBPRGKRZSA-N 1 2 329.379 2.430 20 30 EEEDLO C#CCOc1ccc(C[NH+]2CCN(Cc3cc(C)no3)CC2)cc1 ZINC000122379627 222076674 /nfs/dbraw/zinc/07/66/74/222076674.db2.gz KLKSKIDHUOXQLR-UHFFFAOYSA-N 1 2 325.412 2.313 20 30 EEEDLO C#CCOc1ccc(CN2CC[NH+](Cc3cc(C)no3)CC2)cc1 ZINC000122379627 222076679 /nfs/dbraw/zinc/07/66/79/222076679.db2.gz KLKSKIDHUOXQLR-UHFFFAOYSA-N 1 2 325.412 2.313 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCCS3)CC2)cc1 ZINC000329776317 270019044 /nfs/dbraw/zinc/01/90/44/270019044.db2.gz NZCYONKGEGVQND-KRWDZBQOSA-N 1 2 344.484 2.485 20 30 EEEDLO CC[C@@H](C(=O)N1CCc2c1cccc2C#N)[N@@H+]1CCO[C@@H](CC)C1 ZINC000332238058 266348579 /nfs/dbraw/zinc/34/85/79/266348579.db2.gz HPXSMGMSQCDCQK-RDJZCZTQSA-N 1 2 327.428 2.337 20 30 EEEDLO CC[C@@H](C(=O)N1CCc2c1cccc2C#N)[N@H+]1CCO[C@@H](CC)C1 ZINC000332238058 266348591 /nfs/dbraw/zinc/34/85/91/266348591.db2.gz HPXSMGMSQCDCQK-RDJZCZTQSA-N 1 2 327.428 2.337 20 30 EEEDLO CC[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2OC)C[C@H](C)[S@]1=O ZINC000285817086 266379798 /nfs/dbraw/zinc/37/97/98/266379798.db2.gz GPHMPCXXCVIRGP-WXQIDZRNSA-N 1 2 336.457 2.177 20 30 EEEDLO CC[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2OC)C[C@H](C)[S@]1=O ZINC000285817086 266379800 /nfs/dbraw/zinc/37/98/00/266379800.db2.gz GPHMPCXXCVIRGP-WXQIDZRNSA-N 1 2 336.457 2.177 20 30 EEEDLO C[C@@H]1c2ccccc2CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290534212 267112209 /nfs/dbraw/zinc/11/22/09/267112209.db2.gz ZLUVAHOHLQZPFT-CQSZACIVSA-N 1 2 341.436 2.346 20 30 EEEDLO C[C@@H]1c2ccccc2CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290534212 267112213 /nfs/dbraw/zinc/11/22/13/267112213.db2.gz ZLUVAHOHLQZPFT-CQSZACIVSA-N 1 2 341.436 2.346 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000279655522 267142006 /nfs/dbraw/zinc/14/20/06/267142006.db2.gz CDHSCWYYMYFVPL-BKEDOTJMSA-N 1 2 343.427 2.154 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000279655522 267142009 /nfs/dbraw/zinc/14/20/09/267142009.db2.gz CDHSCWYYMYFVPL-BKEDOTJMSA-N 1 2 343.427 2.154 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000444716450 268279717 /nfs/dbraw/zinc/27/97/17/268279717.db2.gz GDAUAJOHZVTEGO-DOMZBBRYSA-N 1 2 341.333 2.132 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000444716450 268279718 /nfs/dbraw/zinc/27/97/18/268279718.db2.gz GDAUAJOHZVTEGO-DOMZBBRYSA-N 1 2 341.333 2.132 20 30 EEEDLO Cc1ccnc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1C#N ZINC000280849322 269393746 /nfs/dbraw/zinc/39/37/46/269393746.db2.gz YEFJQKHNSYPRBK-MOPGFXCFSA-N 1 2 334.423 2.351 20 30 EEEDLO Cc1ccnc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1C#N ZINC000280849322 269393748 /nfs/dbraw/zinc/39/37/48/269393748.db2.gz YEFJQKHNSYPRBK-MOPGFXCFSA-N 1 2 334.423 2.351 20 30 EEEDLO C#CC[C@@H]([NH2+][C@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)OC ZINC000496707747 276790280 /nfs/dbraw/zinc/79/02/80/276790280.db2.gz IJRUMTRAZRZJKG-RBSFLKMASA-N 1 2 338.448 2.319 20 30 EEEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)/C=C\c3cccc(C#N)c3)CC2)S1 ZINC000255278576 292698399 /nfs/dbraw/zinc/69/83/99/292698399.db2.gz IWMZGQULUWFUKH-GEXIGZQTSA-N 1 2 340.452 2.207 20 30 EEEDLO COc1cccc([C@H]2[C@@H]([NH2+]Cc3ncc(C#N)cn3)CCN2C2CC2)c1 ZINC000563617021 319030503 /nfs/dbraw/zinc/03/05/03/319030503.db2.gz YHDMVSBIFGSAQC-ICSRJNTNSA-N 1 2 349.438 2.424 20 30 EEEDLO N#Cc1ccccc1CSCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000565836545 319219282 /nfs/dbraw/zinc/21/92/82/319219282.db2.gz QKPJTZYJLPMGFG-OAHLLOKOSA-N 1 2 340.452 2.367 20 30 EEEDLO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(O)c(Cl)c2)c1C#N ZINC000535511282 448496027 /nfs/dbraw/zinc/49/60/27/448496027.db2.gz OYGUELCUCDJVDG-UHFFFAOYSA-N 1 2 333.779 2.045 20 30 EEEDLO C#CCO[C@@H](C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000295977637 465039474 /nfs/dbraw/zinc/03/94/74/465039474.db2.gz QUVQXOUMOHIJRD-HOCLYGCPSA-N 1 2 327.384 2.354 20 30 EEEDLO C#CCO[C@@H](C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000295977637 465039477 /nfs/dbraw/zinc/03/94/77/465039477.db2.gz QUVQXOUMOHIJRD-HOCLYGCPSA-N 1 2 327.384 2.354 20 30 EEEDLO CC(C)N1CCC[C@H]([N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1=O ZINC000328912512 465165065 /nfs/dbraw/zinc/16/50/65/465165065.db2.gz PAWYEJRLQNOYNP-ZWKOTPCHSA-N 1 2 327.428 2.331 20 30 EEEDLO CC(C)N1CCC[C@H]([N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1=O ZINC000328912512 465165072 /nfs/dbraw/zinc/16/50/72/465165072.db2.gz PAWYEJRLQNOYNP-ZWKOTPCHSA-N 1 2 327.428 2.331 20 30 EEEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000328962738 465184017 /nfs/dbraw/zinc/18/40/17/465184017.db2.gz QTFHELKRFQYKRS-HIFRSBDPSA-N 1 2 345.447 2.464 20 30 EEEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3ccc(F)cc3Cl)CC2)C1=O ZINC000337191358 465235592 /nfs/dbraw/zinc/23/55/92/465235592.db2.gz TZSXYRCHGWOVPQ-MRXNPFEDSA-N 1 2 337.826 2.388 20 30 EEEDLO C=CCN1CC[C@@H]([NH2+][C@@H](CO)c2c(Cl)cccc2Cl)C1=O ZINC000337261675 465274035 /nfs/dbraw/zinc/27/40/35/465274035.db2.gz WHFOTHNNNVQEBL-OLZOCXBDSA-N 1 2 329.227 2.403 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000341980019 465281244 /nfs/dbraw/zinc/28/12/44/465281244.db2.gz BYIUIMMGOQEHRL-OAHLLOKOSA-N 1 2 327.428 2.216 20 30 EEEDLO O=C(CN1CCn2cc[nH+]c2C1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000329358166 465310494 /nfs/dbraw/zinc/31/04/94/465310494.db2.gz WXDSQUMNBGIDJI-UHFFFAOYSA-N 1 2 336.298 2.308 20 30 EEEDLO C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1[nH]cc[nH+]1 ZINC000590564677 468274016 /nfs/dbraw/zinc/27/40/16/468274016.db2.gz DUJVPPGAZMHUEZ-GFCCVEGCSA-N 1 2 325.372 2.268 20 30 EEEDLO C=C(C)[C@@H](c1ccc(F)c(F)c1)N1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000359138655 465380873 /nfs/dbraw/zinc/38/08/73/465380873.db2.gz LKEQPZSEIVJGAI-CABCVRRESA-N 1 2 346.337 2.468 20 30 EEEDLO C=C(C)[C@@H](c1ccc(F)c(F)c1)N1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000359138655 465380879 /nfs/dbraw/zinc/38/08/79/465380879.db2.gz LKEQPZSEIVJGAI-CABCVRRESA-N 1 2 346.337 2.468 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccoc3)n2Cc2ccccc2)CC1 ZINC000491100369 468301103 /nfs/dbraw/zinc/30/11/03/468301103.db2.gz GYJLOJMOICTULS-UHFFFAOYSA-N 1 2 347.422 2.342 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3Cl)n2CC)CC1 ZINC000491102462 468301721 /nfs/dbraw/zinc/30/17/21/468301721.db2.gz MCMHCVXQSUMARK-UHFFFAOYSA-N 1 2 343.862 2.297 20 30 EEEDLO C#CCNC(=O)C1CC[NH+](Cc2nc(Cl)ccc2Cl)CC1 ZINC000491104467 468301836 /nfs/dbraw/zinc/30/18/36/468301836.db2.gz SUXFLAAAYRMSAY-UHFFFAOYSA-N 1 2 326.227 2.350 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000128078043 462607276 /nfs/dbraw/zinc/60/72/76/462607276.db2.gz SOVZQFMSJGZLSY-KBPBESRZSA-N 1 2 333.398 2.144 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000128078043 462607279 /nfs/dbraw/zinc/60/72/79/462607279.db2.gz SOVZQFMSJGZLSY-KBPBESRZSA-N 1 2 333.398 2.144 20 30 EEEDLO Cc1cc(C(N)=[NH+]OCC(=O)N2CCc3ccccc3C2)ccc1F ZINC000063458083 462646256 /nfs/dbraw/zinc/64/62/56/462646256.db2.gz LUVZKHHGTXAFJW-UHFFFAOYSA-N 1 2 341.386 2.356 20 30 EEEDLO C#CC[NH+]1CCN(Cn2nc(Cc3ccccc3F)oc2=S)CC1 ZINC000075711833 462752089 /nfs/dbraw/zinc/75/20/89/462752089.db2.gz NAMQJMYWEDQIKO-UHFFFAOYSA-N 1 2 346.431 2.144 20 30 EEEDLO CC(C)(CNC(=O)CSCc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000047718387 462817737 /nfs/dbraw/zinc/81/77/37/462817737.db2.gz BMTLZHQSGMFJBT-UHFFFAOYSA-N 1 2 347.484 2.018 20 30 EEEDLO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000047796605 462824914 /nfs/dbraw/zinc/82/49/14/462824914.db2.gz GYBMXSVQPYVIJX-DZGCQCFKSA-N 1 2 344.415 2.096 20 30 EEEDLO CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000047796605 462824919 /nfs/dbraw/zinc/82/49/19/462824919.db2.gz GYBMXSVQPYVIJX-DZGCQCFKSA-N 1 2 344.415 2.096 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2cccnc2)CC1 ZINC000091076756 462829405 /nfs/dbraw/zinc/82/94/05/462829405.db2.gz LKGZGQWUQXWEIZ-QGZVFWFLSA-N 1 2 330.476 2.012 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[NH+](Cc2cccnc2)CC1 ZINC000091076756 462829410 /nfs/dbraw/zinc/82/94/10/462829410.db2.gz LKGZGQWUQXWEIZ-QGZVFWFLSA-N 1 2 330.476 2.012 20 30 EEEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000155324260 462874223 /nfs/dbraw/zinc/87/42/23/462874223.db2.gz QZKDWSFDTNTEFW-HOTGVXAUSA-N 1 2 346.450 2.344 20 30 EEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000155324260 462874227 /nfs/dbraw/zinc/87/42/27/462874227.db2.gz QZKDWSFDTNTEFW-HOTGVXAUSA-N 1 2 346.450 2.344 20 30 EEEDLO N#CCCC[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000155346833 462877172 /nfs/dbraw/zinc/87/71/72/462877172.db2.gz GSMLZAYRQUKPKZ-UHFFFAOYSA-N 1 2 347.893 2.402 20 30 EEEDLO N#CCCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000155346833 462877178 /nfs/dbraw/zinc/87/71/78/462877178.db2.gz GSMLZAYRQUKPKZ-UHFFFAOYSA-N 1 2 347.893 2.402 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000066865370 462938882 /nfs/dbraw/zinc/93/88/82/462938882.db2.gz YSADTBPFHUGNFN-UHFFFAOYSA-N 1 2 346.431 2.141 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000016590237 462983340 /nfs/dbraw/zinc/98/33/40/462983340.db2.gz ACJNRISJRNCNOX-UHFFFAOYSA-N 1 2 330.215 2.437 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000016590237 462983345 /nfs/dbraw/zinc/98/33/45/462983345.db2.gz ACJNRISJRNCNOX-UHFFFAOYSA-N 1 2 330.215 2.437 20 30 EEEDLO Cc1ccc(Cl)cc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000121014178 463065874 /nfs/dbraw/zinc/06/58/74/463065874.db2.gz XZVFULVYFLWRGQ-UHFFFAOYSA-N 1 2 335.835 2.337 20 30 EEEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)c3ccsc3)CC2)c1 ZINC000052240734 463070550 /nfs/dbraw/zinc/07/05/50/463070550.db2.gz YSXWBTWXSJPKAT-UHFFFAOYSA-N 1 2 341.436 2.457 20 30 EEEDLO COc1ccc(F)cc1C[NH+]1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000024591031 463090647 /nfs/dbraw/zinc/09/06/47/463090647.db2.gz KPZAHNRKGKMMNW-HNNXBMFYSA-N 1 2 330.407 2.395 20 30 EEEDLO C=CCN(CC=C)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000078323930 463104519 /nfs/dbraw/zinc/10/45/19/463104519.db2.gz JCJVFIKODJFPBW-GOSISDBHSA-N 1 2 329.444 2.444 20 30 EEEDLO N#CCCN(CCSc1ccc(F)cc1)CC[NH+]1CCOCC1 ZINC000078687194 463140772 /nfs/dbraw/zinc/14/07/72/463140772.db2.gz VTIMMUYIFMYCBT-UHFFFAOYSA-N 1 2 337.464 2.466 20 30 EEEDLO N#CCC[N@@H+](CCSc1ccc(F)cc1)CCN1CCOCC1 ZINC000078687194 463140777 /nfs/dbraw/zinc/14/07/77/463140777.db2.gz VTIMMUYIFMYCBT-UHFFFAOYSA-N 1 2 337.464 2.466 20 30 EEEDLO N#CCC[N@H+](CCSc1ccc(F)cc1)CCN1CCOCC1 ZINC000078687194 463140782 /nfs/dbraw/zinc/14/07/82/463140782.db2.gz VTIMMUYIFMYCBT-UHFFFAOYSA-N 1 2 337.464 2.466 20 30 EEEDLO CCCc1noc(CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)n1 ZINC000122222007 463247413 /nfs/dbraw/zinc/24/74/13/463247413.db2.gz UHRBMZKWPANVMZ-UHFFFAOYSA-N 1 2 344.419 2.245 20 30 EEEDLO Cc1ccc(NC(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1C ZINC000029443763 463256824 /nfs/dbraw/zinc/25/68/24/463256824.db2.gz MZWHEJYFOAFKKK-UHFFFAOYSA-N 1 2 349.438 2.331 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000080164853 463290100 /nfs/dbraw/zinc/29/01/00/463290100.db2.gz YQMCJLPRTQPADZ-UHFFFAOYSA-N 1 2 342.443 2.255 20 30 EEEDLO N#Cc1cccc(NC(=O)C[S@](=O)Cc2cn3ccccc3[nH+]2)c1 ZINC000083954350 463568348 /nfs/dbraw/zinc/56/83/48/463568348.db2.gz NZGAWEVWXTUQQA-DEOSSOPVSA-N 1 2 338.392 2.093 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)[nH]1 ZINC000151663360 463571349 /nfs/dbraw/zinc/57/13/49/463571349.db2.gz HOCZMHUNPQUJNI-UHFFFAOYSA-N 1 2 328.803 2.498 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000125978743 463595262 /nfs/dbraw/zinc/59/52/62/463595262.db2.gz KRFOGTQUWXGIJL-UHFFFAOYSA-N 1 2 328.460 2.188 20 30 EEEDLO C=CCC[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)C(=O)OCC ZINC000590882539 468364722 /nfs/dbraw/zinc/36/47/22/468364722.db2.gz BTVOULDDBVJWPC-DLBZAZTESA-N 1 2 345.443 2.060 20 30 EEEDLO C=CCC[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)C(=O)OCC ZINC000590882539 468364726 /nfs/dbraw/zinc/36/47/26/468364726.db2.gz BTVOULDDBVJWPC-DLBZAZTESA-N 1 2 345.443 2.060 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000084475259 463606395 /nfs/dbraw/zinc/60/63/95/463606395.db2.gz DPFWMRCVNMZJNM-BEFAXECRSA-N 1 2 346.450 2.391 20 30 EEEDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000164129326 463615761 /nfs/dbraw/zinc/61/57/61/463615761.db2.gz PPQCNTMDSBNUBR-HZPDHXFCSA-N 1 2 347.484 2.235 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1F ZINC000043533234 463645979 /nfs/dbraw/zinc/64/59/79/463645979.db2.gz UZAPTEOPOWAZCO-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO CCc1nnc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c(C#N)c1CC ZINC000170088718 463675275 /nfs/dbraw/zinc/67/52/75/463675275.db2.gz KUXPEAFYYAGFRM-MRXNPFEDSA-N 1 2 340.431 2.146 20 30 EEEDLO C=CCCOCCNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000127183801 463687647 /nfs/dbraw/zinc/68/76/47/463687647.db2.gz SNSOQZYUFBQNEG-UHFFFAOYSA-N 1 2 335.423 2.246 20 30 EEEDLO CC(C)c1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[nH]n1 ZINC000044817924 463694178 /nfs/dbraw/zinc/69/41/78/463694178.db2.gz NYUAVPUEPPWKDV-UHFFFAOYSA-N 1 2 337.427 2.363 20 30 EEEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)c2ccc(F)c(C#N)c2)CCO1 ZINC000286820571 463714441 /nfs/dbraw/zinc/71/44/41/463714441.db2.gz QLIJXNOSTXCELR-XJKSGUPXSA-N 1 2 328.347 2.081 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O)c1 ZINC000185118934 463756138 /nfs/dbraw/zinc/75/61/38/463756138.db2.gz IWHDNUBBNNZPCO-FYSMJZIKSA-N 1 2 349.500 2.249 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O)c1 ZINC000185118934 463756141 /nfs/dbraw/zinc/75/61/41/463756141.db2.gz IWHDNUBBNNZPCO-FYSMJZIKSA-N 1 2 349.500 2.249 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000185142279 463761152 /nfs/dbraw/zinc/76/11/52/463761152.db2.gz PUSINNYZPXHUAU-OAHLLOKOSA-N 1 2 329.444 2.032 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@@H]1OC ZINC000276846729 463778675 /nfs/dbraw/zinc/77/86/75/463778675.db2.gz CZLQQHGQWKZZFV-OKILXGFUSA-N 1 2 325.206 2.166 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@@H]1OC ZINC000276846729 463778680 /nfs/dbraw/zinc/77/86/80/463778680.db2.gz CZLQQHGQWKZZFV-OKILXGFUSA-N 1 2 325.206 2.166 20 30 EEEDLO CN1C(=O)C[C@H]([NH2+]C[C@@H](C#N)CCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000568733093 468379774 /nfs/dbraw/zinc/37/97/74/468379774.db2.gz OPWZUQUPDPSXLK-PJQXDXOGSA-N 1 2 332.354 2.270 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186080798 463933530 /nfs/dbraw/zinc/93/35/30/463933530.db2.gz LUAGNLJZZNTKKD-SJLPKXTDSA-N 1 2 329.444 2.081 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186080798 463933534 /nfs/dbraw/zinc/93/35/34/463933534.db2.gz LUAGNLJZZNTKKD-SJLPKXTDSA-N 1 2 329.444 2.081 20 30 EEEDLO C=CCOc1cccc(NC(=O)NCC2([NH+]3CCOCC3)CC2)c1 ZINC000277935350 463936448 /nfs/dbraw/zinc/93/64/48/463936448.db2.gz FTIIXUHZUNZASJ-UHFFFAOYSA-N 1 2 331.416 2.238 20 30 EEEDLO C=C(CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccccc1 ZINC000288001323 464028333 /nfs/dbraw/zinc/02/83/33/464028333.db2.gz LHXSJTCCGOSPHS-FUHWJXTLSA-N 1 2 329.444 2.204 20 30 EEEDLO CN1CC[C@H]([N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)C1=O ZINC000269633085 464040715 /nfs/dbraw/zinc/04/07/15/464040715.db2.gz WWDOJEMVJOCVAD-AWEZNQCLSA-N 1 2 326.318 2.099 20 30 EEEDLO CN1CC[C@H]([N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)C1=O ZINC000269633085 464040717 /nfs/dbraw/zinc/04/07/17/464040717.db2.gz WWDOJEMVJOCVAD-AWEZNQCLSA-N 1 2 326.318 2.099 20 30 EEEDLO NC(=[NH+]OCc1nc(-c2cc(F)c(F)c(F)c2)no1)[C@@H]1CCCO1 ZINC000283981066 464057581 /nfs/dbraw/zinc/05/75/81/464057581.db2.gz GRVYVWWGYZKDIE-JTQLQIEISA-N 1 2 342.277 2.122 20 30 EEEDLO Cc1nsc(N2CC[NH+](CC(=O)N(C(C)C)C(C)C)CC2)c1C#N ZINC000289505721 464082405 /nfs/dbraw/zinc/08/24/05/464082405.db2.gz QMZMXQLQQJCYQW-UHFFFAOYSA-N 1 2 349.504 2.091 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000172671304 464128240 /nfs/dbraw/zinc/12/82/40/464128240.db2.gz BSRCQSQXERUNGO-CQSZACIVSA-N 1 2 333.413 2.041 20 30 EEEDLO C=CCn1c(SCC[N@@H+]2CCO[C@@H](C)C2)nnc1-c1ccccn1 ZINC000284344034 464157174 /nfs/dbraw/zinc/15/71/74/464157174.db2.gz VMNKBGODFHBKSN-AWEZNQCLSA-N 1 2 345.472 2.339 20 30 EEEDLO C=CCn1c(SCC[N@H+]2CCO[C@@H](C)C2)nnc1-c1ccccn1 ZINC000284344034 464157183 /nfs/dbraw/zinc/15/71/83/464157183.db2.gz VMNKBGODFHBKSN-AWEZNQCLSA-N 1 2 345.472 2.339 20 30 EEEDLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292224841 464170078 /nfs/dbraw/zinc/17/00/78/464170078.db2.gz PFKWOAICMPRCFS-BXUZGUMPSA-N 1 2 325.372 2.428 20 30 EEEDLO C[C@H](c1nc(C2CC2)no1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292224841 464170079 /nfs/dbraw/zinc/17/00/79/464170079.db2.gz PFKWOAICMPRCFS-BXUZGUMPSA-N 1 2 325.372 2.428 20 30 EEEDLO Cc1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1F ZINC000179928211 464210715 /nfs/dbraw/zinc/21/07/15/464210715.db2.gz CWASUHIQVCKYEK-UHFFFAOYSA-N 1 2 334.395 2.214 20 30 EEEDLO Cn1c[nH+]cc1CCC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000280623403 464223000 /nfs/dbraw/zinc/22/30/00/464223000.db2.gz WMTNNLYQTSUIHK-UHFFFAOYSA-N 1 2 338.411 2.294 20 30 EEEDLO C=CC[C@@H](C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1)c1ccccc1 ZINC000188208243 464225121 /nfs/dbraw/zinc/22/51/21/464225121.db2.gz ZTJBIZVQBMYJQB-GOSISDBHSA-N 1 2 343.471 2.017 20 30 EEEDLO C=CC[C@@H](C(=O)N1CCC[N@H+](CC(=O)NCC)CC1)c1ccccc1 ZINC000188208243 464225126 /nfs/dbraw/zinc/22/51/26/464225126.db2.gz ZTJBIZVQBMYJQB-GOSISDBHSA-N 1 2 343.471 2.017 20 30 EEEDLO C=CCNC(=O)C[NH2+][C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000180032745 464227422 /nfs/dbraw/zinc/22/74/22/464227422.db2.gz MCYHEQHMPWQWHN-LLVKDONJSA-N 1 2 333.823 2.182 20 30 EEEDLO N#Cc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1O ZINC000188280684 464242552 /nfs/dbraw/zinc/24/25/52/464242552.db2.gz WBVXFWABLVBHLX-UHFFFAOYSA-N 1 2 332.363 2.439 20 30 EEEDLO C[C@@H]1C[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CCO1 ZINC000271229670 464288781 /nfs/dbraw/zinc/28/87/81/464288781.db2.gz SXMMVTVLCDNLOJ-CHWSQXEVSA-N 1 2 340.427 2.214 20 30 EEEDLO C#CC[N@@H+](CC)Cc1nc2sc(C(=O)OCC)c(C)c2c(N)n1 ZINC000271322235 464292349 /nfs/dbraw/zinc/29/23/49/464292349.db2.gz CHCWIDWCWKMUOG-UHFFFAOYSA-N 1 2 332.429 2.214 20 30 EEEDLO C#CC[N@H+](CC)Cc1nc2sc(C(=O)OCC)c(C)c2c(N)n1 ZINC000271322235 464292353 /nfs/dbraw/zinc/29/23/53/464292353.db2.gz CHCWIDWCWKMUOG-UHFFFAOYSA-N 1 2 332.429 2.214 20 30 EEEDLO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271875269 464397712 /nfs/dbraw/zinc/39/77/12/464397712.db2.gz XJCJSBSLTKTQIG-KGLIPLIRSA-N 1 2 334.445 2.031 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C)c(Cl)c2)C1=O ZINC000281325930 464415139 /nfs/dbraw/zinc/41/51/39/464415139.db2.gz LPPXJNJURDMZGI-HNNXBMFYSA-N 1 2 335.835 2.306 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C)c(Cl)c2)C1=O ZINC000281325930 464415142 /nfs/dbraw/zinc/41/51/42/464415142.db2.gz LPPXJNJURDMZGI-HNNXBMFYSA-N 1 2 335.835 2.306 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)C1=O ZINC000281403423 464442389 /nfs/dbraw/zinc/44/23/89/464442389.db2.gz QQFXOHLQUOIYCM-VXGBXAGGSA-N 1 2 342.365 2.395 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)C1=O ZINC000281403423 464442395 /nfs/dbraw/zinc/44/23/95/464442395.db2.gz QQFXOHLQUOIYCM-VXGBXAGGSA-N 1 2 342.365 2.395 20 30 EEEDLO CC(C)(C#N)c1ccc(C(=O)NCC2([NH+]3CCOCC3)CC2)cc1 ZINC000281436515 464454930 /nfs/dbraw/zinc/45/49/30/464454930.db2.gz BNYGSRKCWOVCAJ-UHFFFAOYSA-N 1 2 327.428 2.082 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc2c1CCCC2 ZINC000294357092 464476839 /nfs/dbraw/zinc/47/68/39/464476839.db2.gz APQAEGFGGAEHMU-UHFFFAOYSA-N 1 2 341.455 2.253 20 30 EEEDLO C[C@@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000285368623 464539652 /nfs/dbraw/zinc/53/96/52/464539652.db2.gz MIMPWXFJLPFYDK-KGLIPLIRSA-N 1 2 347.434 2.200 20 30 EEEDLO Cc1ccc(C[N@H+](CCO)CC(=O)Nc2sccc2C#N)cc1 ZINC000181989109 464546391 /nfs/dbraw/zinc/54/63/91/464546391.db2.gz UXLRWKBQAKWILF-UHFFFAOYSA-N 1 2 329.425 2.361 20 30 EEEDLO Cc1ccc(C[N@@H+](CCO)CC(=O)Nc2sccc2C#N)cc1 ZINC000181989109 464546398 /nfs/dbraw/zinc/54/63/98/464546398.db2.gz UXLRWKBQAKWILF-UHFFFAOYSA-N 1 2 329.425 2.361 20 30 EEEDLO CC[C@@H](C)[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC(=O)OC(C)(C)C ZINC000246285359 464566959 /nfs/dbraw/zinc/56/69/59/464566959.db2.gz NZXCMQGNQZDFBP-RDTXWAMCSA-N 1 2 339.480 2.483 20 30 EEEDLO CC[C@@H](C)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC(=O)OC(C)(C)C ZINC000246285359 464566962 /nfs/dbraw/zinc/56/69/62/464566962.db2.gz NZXCMQGNQZDFBP-RDTXWAMCSA-N 1 2 339.480 2.483 20 30 EEEDLO CC#CCC[N@@H+]1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000190126816 464600926 /nfs/dbraw/zinc/60/09/26/464600926.db2.gz GGQIIXFKJRLYLG-CQSZACIVSA-N 1 2 326.318 2.472 20 30 EEEDLO CC#CCC[N@H+]1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000190126816 464600934 /nfs/dbraw/zinc/60/09/34/464600934.db2.gz GGQIIXFKJRLYLG-CQSZACIVSA-N 1 2 326.318 2.472 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](CCC)CC(=O)Nc2ccccc2C)C1=O ZINC000281880721 464620655 /nfs/dbraw/zinc/62/06/55/464620655.db2.gz DALMNCQJCVKFAV-KRWDZBQOSA-N 1 2 329.444 2.432 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](CCC)CC(=O)Nc2ccccc2C)C1=O ZINC000281880721 464620659 /nfs/dbraw/zinc/62/06/59/464620659.db2.gz DALMNCQJCVKFAV-KRWDZBQOSA-N 1 2 329.444 2.432 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c2nncn2C)cc1 ZINC000275033953 464761983 /nfs/dbraw/zinc/76/19/83/464761983.db2.gz AXMKXRZOIRTFLP-LSDHHAIUSA-N 1 2 340.431 2.110 20 30 EEEDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000191780996 464826787 /nfs/dbraw/zinc/82/67/87/464826787.db2.gz AFWXOHFFMFALJB-CQSZACIVSA-N 1 2 336.233 2.421 20 30 EEEDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000191780996 464826790 /nfs/dbraw/zinc/82/67/90/464826790.db2.gz AFWXOHFFMFALJB-CQSZACIVSA-N 1 2 336.233 2.421 20 30 EEEDLO N#Cc1cc2c(nc1NCc1ccc(N3CCOCC3)[nH+]c1)CCC2 ZINC000298737014 465489557 /nfs/dbraw/zinc/48/95/57/465489557.db2.gz WNODLIHHWZMQFG-UHFFFAOYSA-N 1 2 335.411 2.286 20 30 EEEDLO CC(C)n1cc(C#N)c(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000342514277 465325906 /nfs/dbraw/zinc/32/59/06/465325906.db2.gz KXJQYBKORLJMME-UHFFFAOYSA-N 1 2 334.383 2.833 20 30 EEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)[C@@]12CCCO2 ZINC000329443676 465335847 /nfs/dbraw/zinc/33/58/47/465335847.db2.gz BYJQWLWGZJSDAI-JZXOWHBKSA-N 1 2 348.447 2.230 20 30 EEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)[C@@]12CCCO2 ZINC000329443676 465335855 /nfs/dbraw/zinc/33/58/55/465335855.db2.gz BYJQWLWGZJSDAI-JZXOWHBKSA-N 1 2 348.447 2.230 20 30 EEEDLO CC(C)c1nnc2n1C[C@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000329470208 465343848 /nfs/dbraw/zinc/34/38/48/465343848.db2.gz YQSMQYYIBLLKJN-QWHCGFSZSA-N 1 2 328.420 2.132 20 30 EEEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)[C@H]1CCCCS1(=O)=O ZINC000329593131 465382161 /nfs/dbraw/zinc/38/21/61/465382161.db2.gz OFEMHJGNVKANBL-GFCCVEGCSA-N 1 2 341.820 2.412 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000342912475 465383234 /nfs/dbraw/zinc/38/32/34/465383234.db2.gz PSKUTJOMTAIOTN-HNNXBMFYSA-N 1 2 340.427 2.350 20 30 EEEDLO C[C@@H](O)CNc1cc(NCCSCc2ccccc2C#N)[nH+]cn1 ZINC000298395606 465384002 /nfs/dbraw/zinc/38/40/02/465384002.db2.gz VPJDEJMFHHMYCT-CYBMUJFWSA-N 1 2 343.456 2.486 20 30 EEEDLO C[C@@H](O)CNc1cc(NCCSCc2ccccc2C#N)nc[nH+]1 ZINC000298395606 465384007 /nfs/dbraw/zinc/38/40/07/465384007.db2.gz VPJDEJMFHHMYCT-CYBMUJFWSA-N 1 2 343.456 2.486 20 30 EEEDLO CCC[C@H](C(=O)OCC)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000348036973 465386258 /nfs/dbraw/zinc/38/62/58/465386258.db2.gz BCKPLZMXTIINCP-GOSISDBHSA-N 1 2 329.444 2.408 20 30 EEEDLO CCc1nnc([C@@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000348061932 465400228 /nfs/dbraw/zinc/40/02/28/465400228.db2.gz XZEOZCFDNVIOBG-CQSZACIVSA-N 1 2 325.416 2.382 20 30 EEEDLO Cc1cnn(CC2CCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)CC2)c1 ZINC000329750315 465421935 /nfs/dbraw/zinc/42/19/35/465421935.db2.gz UYGOSVBZBRCQNX-OAHLLOKOSA-N 1 2 342.447 2.098 20 30 EEEDLO C[C@@]1(CNC(=O)N2CCn3cc[nH+]c3C2)OCCc2sccc21 ZINC000329758376 465425159 /nfs/dbraw/zinc/42/51/59/465425159.db2.gz ZYOBZZDRVCJOBZ-INIZCTEOSA-N 1 2 332.429 2.162 20 30 EEEDLO Cc1cc(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)nn1CCC#N ZINC000348196350 465484943 /nfs/dbraw/zinc/48/49/43/465484943.db2.gz GCZRVHWEHYWLBD-UHFFFAOYSA-N 1 2 349.398 2.613 20 30 EEEDLO CCO[C@@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C12CCOCC2 ZINC000329951683 465485759 /nfs/dbraw/zinc/48/57/59/465485759.db2.gz IICLREUIEXPELF-CWRNSKLLSA-N 1 2 333.432 2.376 20 30 EEEDLO CN(C(=O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)C1CC1 ZINC000348331694 465554072 /nfs/dbraw/zinc/55/40/72/465554072.db2.gz RGPRPLRPVHPRQU-QGZVFWFLSA-N 1 2 346.862 2.143 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)nc1 ZINC000593941114 468440669 /nfs/dbraw/zinc/44/06/69/468440669.db2.gz SSXXQTBDZZVQMC-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)nc1 ZINC000593941114 468440674 /nfs/dbraw/zinc/44/06/74/468440674.db2.gz SSXXQTBDZZVQMC-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1ccccc1C(F)(F)F ZINC000579957699 468442837 /nfs/dbraw/zinc/44/28/37/468442837.db2.gz GSGRYXXRBWOAEN-CQSZACIVSA-N 1 2 329.322 2.044 20 30 EEEDLO CC[C@]1(C)COCC[N@@H+]1CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000330518950 465691520 /nfs/dbraw/zinc/69/15/20/465691520.db2.gz NJKCTVQXDCWSLB-GOSISDBHSA-N 1 2 333.432 2.466 20 30 EEEDLO CC[C@]1(C)COCC[N@H+]1CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000330518950 465691527 /nfs/dbraw/zinc/69/15/27/465691527.db2.gz NJKCTVQXDCWSLB-GOSISDBHSA-N 1 2 333.432 2.466 20 30 EEEDLO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1nc(C(C)(C)C)no1 ZINC000348572892 465693363 /nfs/dbraw/zinc/69/33/63/465693363.db2.gz GIXWRLAKXSCGAY-LBPRGKRZSA-N 1 2 341.415 2.206 20 30 EEEDLO O=C(NCC#Cc1cccc(F)c1)NCCCNc1cccc[nH+]1 ZINC000338043367 465775383 /nfs/dbraw/zinc/77/53/83/465775383.db2.gz VTDJARFADVHDPI-UHFFFAOYSA-N 1 2 326.375 2.374 20 30 EEEDLO CC1(C)C[N@H+](CCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000331008244 465895656 /nfs/dbraw/zinc/89/56/56/465895656.db2.gz YGAMKZCLAHUWPH-UHFFFAOYSA-N 1 2 340.355 2.171 20 30 EEEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000331008244 465895664 /nfs/dbraw/zinc/89/56/64/465895664.db2.gz YGAMKZCLAHUWPH-UHFFFAOYSA-N 1 2 340.355 2.171 20 30 EEEDLO CCC(CC)[C@H](C(=O)NCC#Cc1cccc(F)c1)[NH+]1CCOCC1 ZINC000338239187 465931675 /nfs/dbraw/zinc/93/16/75/465931675.db2.gz GSKUZDPIZMUIJM-LJQANCHMSA-N 1 2 346.446 2.430 20 30 EEEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(C(=O)c2cccs2)CC1)C1CC1 ZINC000361391291 465956446 /nfs/dbraw/zinc/95/64/46/465956446.db2.gz QXYPMIQNKCRRQL-GOSISDBHSA-N 1 2 345.468 2.451 20 30 EEEDLO C=CCN(CCOC)C(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000362729146 465978783 /nfs/dbraw/zinc/97/87/83/465978783.db2.gz OGFIOPSAHYIVCI-UHFFFAOYSA-N 1 2 339.439 2.497 20 30 EEEDLO C=CCN(CCOC)C(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000362729146 465978792 /nfs/dbraw/zinc/97/87/92/465978792.db2.gz OGFIOPSAHYIVCI-UHFFFAOYSA-N 1 2 339.439 2.497 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)Cc1noc(C)c1C#N ZINC000353907835 466247826 /nfs/dbraw/zinc/24/78/26/466247826.db2.gz ZDEXIIVNNVZVIX-UHFFFAOYSA-N 1 2 337.383 2.262 20 30 EEEDLO COCC[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(C)o1 ZINC000349947826 466322102 /nfs/dbraw/zinc/32/21/02/466322102.db2.gz FVYJTGVFDPZPEE-WBVHZDCISA-N 1 2 327.384 2.354 20 30 EEEDLO N#CC1(NC(=O)C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)CCC1 ZINC000347336029 466574470 /nfs/dbraw/zinc/57/44/70/466574470.db2.gz NVPYOTIXXMSXKR-LSDHHAIUSA-N 1 2 345.468 2.050 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)CCC1 ZINC000347336029 466574473 /nfs/dbraw/zinc/57/44/73/466574473.db2.gz NVPYOTIXXMSXKR-LSDHHAIUSA-N 1 2 345.468 2.050 20 30 EEEDLO Cc1ccc2[nH+]cc(CN3CCN(c4cnccc4C#N)CC3)n2c1 ZINC000569536246 468504630 /nfs/dbraw/zinc/50/46/30/468504630.db2.gz RARVXSFXJKREFZ-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO Cc1ccc2ncc(C[NH+]3CCN(c4cnccc4C#N)CC3)n2c1 ZINC000569536246 468504632 /nfs/dbraw/zinc/50/46/32/468504632.db2.gz RARVXSFXJKREFZ-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO COC(=O)[C@@H]1CCC[N@H+](CCC2(C#N)CCCCC2)[C@H]1C(=O)OC ZINC000411399988 466819539 /nfs/dbraw/zinc/81/95/39/466819539.db2.gz SNUSRWQUVQENPW-HUUCEWRRSA-N 1 2 336.432 2.277 20 30 EEEDLO COC(=O)[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)[C@H]1C(=O)OC ZINC000411399988 466819540 /nfs/dbraw/zinc/81/95/40/466819540.db2.gz SNUSRWQUVQENPW-HUUCEWRRSA-N 1 2 336.432 2.277 20 30 EEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(SCC#N)c1 ZINC000375902652 466882085 /nfs/dbraw/zinc/88/20/85/466882085.db2.gz QDKJLXHTMVPBDN-GDBMZVCRSA-N 1 2 345.468 2.237 20 30 EEEDLO C=CCCn1cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)nn1 ZINC000424600640 467073950 /nfs/dbraw/zinc/07/39/50/467073950.db2.gz KKTRVHDKXCPGBZ-UHFFFAOYSA-N 1 2 340.431 2.170 20 30 EEEDLO Cc1cc(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)c(C#N)c[nH+]1 ZINC000425240586 467089730 /nfs/dbraw/zinc/08/97/30/467089730.db2.gz YRKSXZYGUMPSHE-ZHALLVOQSA-N 1 2 332.407 2.253 20 30 EEEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000425389413 467092312 /nfs/dbraw/zinc/09/23/12/467092312.db2.gz URSUQZMVQNGMGJ-HNNXBMFYSA-N 1 2 344.459 2.371 20 30 EEEDLO COC(=O)c1cnc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)s1 ZINC000425481253 467097992 /nfs/dbraw/zinc/09/79/92/467097992.db2.gz FYIJQIRTDRLODO-JTQLQIEISA-N 1 2 344.396 2.091 20 30 EEEDLO COc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000425838995 467136817 /nfs/dbraw/zinc/13/68/17/467136817.db2.gz FMRXAJDUYIADLO-DOTOQJQBSA-N 1 2 342.443 2.215 20 30 EEEDLO C=C(C)COc1cc(C[N@H+]2CCOC[C@@H]2CC(=O)OC)ccc1OC ZINC000377834131 467149603 /nfs/dbraw/zinc/14/96/03/467149603.db2.gz JHHMPOIUUCVXLX-INIZCTEOSA-N 1 2 349.427 2.414 20 30 EEEDLO C=C(C)COc1cc(C[N@@H+]2CCOC[C@@H]2CC(=O)OC)ccc1OC ZINC000377834131 467149605 /nfs/dbraw/zinc/14/96/05/467149605.db2.gz JHHMPOIUUCVXLX-INIZCTEOSA-N 1 2 349.427 2.414 20 30 EEEDLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3cc(C#N)ccc3F)[nH+]cn2)C1 ZINC000413172680 467183456 /nfs/dbraw/zinc/18/34/56/467183456.db2.gz RIWKKUVCCYRPOB-GXTWGEPZSA-N 1 2 341.390 2.307 20 30 EEEDLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3cc(C#N)ccc3F)nc[nH+]2)C1 ZINC000413172680 467183458 /nfs/dbraw/zinc/18/34/58/467183458.db2.gz RIWKKUVCCYRPOB-GXTWGEPZSA-N 1 2 341.390 2.307 20 30 EEEDLO CC1CC[NH+](Cc2csc(NC(=O)CN(CC#N)C3CC3)n2)CC1 ZINC000428233886 467215427 /nfs/dbraw/zinc/21/54/27/467215427.db2.gz VKQMJEAIYCVAEZ-UHFFFAOYSA-N 1 2 347.488 2.301 20 30 EEEDLO CCN1CC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)[C@@H](C)C1=O ZINC000428444042 467234679 /nfs/dbraw/zinc/23/46/79/467234679.db2.gz AVMXJMOKAUTQJD-HNNXBMFYSA-N 1 2 345.443 2.430 20 30 EEEDLO CCN1CC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)[C@@H](C)C1=O ZINC000428444042 467234680 /nfs/dbraw/zinc/23/46/80/467234680.db2.gz AVMXJMOKAUTQJD-HNNXBMFYSA-N 1 2 345.443 2.430 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451695606 467265776 /nfs/dbraw/zinc/26/57/76/467265776.db2.gz DYGZZLZWHBEZSR-BGTYHANMSA-N 1 2 328.412 2.255 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451695606 467265780 /nfs/dbraw/zinc/26/57/80/467265780.db2.gz DYGZZLZWHBEZSR-BGTYHANMSA-N 1 2 328.412 2.255 20 30 EEEDLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@@]3(C#N)C[C@H]3C)CC2)cc1 ZINC000448622453 467596633 /nfs/dbraw/zinc/59/66/33/467596633.db2.gz NYPRAEKADIYKJY-DNVCBOLYSA-N 1 2 327.428 2.279 20 30 EEEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cn2nc(C#N)c3ccccc32)C1 ZINC000496547378 467642107 /nfs/dbraw/zinc/64/21/07/467642107.db2.gz FFVDHDQPGMVXFG-ZDUSSCGKSA-N 1 2 327.388 2.028 20 30 EEEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cn2nc(C#N)c3ccccc32)C1 ZINC000496547378 467642110 /nfs/dbraw/zinc/64/21/10/467642110.db2.gz FFVDHDQPGMVXFG-ZDUSSCGKSA-N 1 2 327.388 2.028 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CCC1 ZINC000525886548 467645616 /nfs/dbraw/zinc/64/56/16/467645616.db2.gz RXHWDXQWAGBKLU-OAHLLOKOSA-N 1 2 343.402 2.283 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CCC1 ZINC000525886548 467645618 /nfs/dbraw/zinc/64/56/18/467645618.db2.gz RXHWDXQWAGBKLU-OAHLLOKOSA-N 1 2 343.402 2.283 20 30 EEEDLO Cc1nn(C)c(N2CC[NH+](CC3=Cc4ccccc4OC3)CC2)c1C#N ZINC000526074796 467649137 /nfs/dbraw/zinc/64/91/37/467649137.db2.gz XPPSIFVFBMNTAF-UHFFFAOYSA-N 1 2 349.438 2.198 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000457665293 467673954 /nfs/dbraw/zinc/67/39/54/467673954.db2.gz WZQZPJUCCPLSOA-MRXNPFEDSA-N 1 2 332.448 2.198 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)/C=C\c2ccc(C#N)cc2)CCO1 ZINC000492666131 467706970 /nfs/dbraw/zinc/70/69/70/467706970.db2.gz FWYATTWYFBTJHJ-ANBQXBGZSA-N 1 2 336.395 2.341 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](OC(=O)N(C)C)C2)c1C#N ZINC000496792310 467716420 /nfs/dbraw/zinc/71/64/20/467716420.db2.gz QFDRVWXLFACQIG-AWEZNQCLSA-N 1 2 345.399 2.007 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](OC(=O)N(C)C)C2)c1C#N ZINC000496792310 467716423 /nfs/dbraw/zinc/71/64/23/467716423.db2.gz QFDRVWXLFACQIG-AWEZNQCLSA-N 1 2 345.399 2.007 20 30 EEEDLO CCN1CCN(C(=O)/C=C/c2ccc(C#N)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000492723113 467728393 /nfs/dbraw/zinc/72/83/93/467728393.db2.gz WGSJBLXYZXPPLS-IWAYRVGRSA-N 1 2 335.411 2.200 20 30 EEEDLO C[C@H]1CCCC[C@H]1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000514617881 467944268 /nfs/dbraw/zinc/94/42/68/467944268.db2.gz ZNGXIHQLTLXVRU-RDJZCZTQSA-N 1 2 329.444 2.378 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ccc(Br)cc1 ZINC000515303976 467984025 /nfs/dbraw/zinc/98/40/25/467984025.db2.gz OMEDYFJZAXAOEZ-OAHLLOKOSA-N 1 2 338.249 2.342 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)cc1OC ZINC000494364732 468049318 /nfs/dbraw/zinc/04/93/18/468049318.db2.gz OYJWEVLAXPMLSI-HNNXBMFYSA-N 1 2 332.400 2.287 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)cc1OC ZINC000494364732 468049319 /nfs/dbraw/zinc/04/93/19/468049319.db2.gz OYJWEVLAXPMLSI-HNNXBMFYSA-N 1 2 332.400 2.287 20 30 EEEDLO C=C1CC[NH+]([C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)CC1 ZINC000518679321 468122163 /nfs/dbraw/zinc/12/21/63/468122163.db2.gz VIKRZWNZYQZNHS-INIZCTEOSA-N 1 2 329.444 2.399 20 30 EEEDLO N#CCCC1CC[NH+](CC(=O)Nc2nnc(-c3ccco3)o2)CC1 ZINC000575120224 468136995 /nfs/dbraw/zinc/13/69/95/468136995.db2.gz NUTJMXXBHJAXAC-UHFFFAOYSA-N 1 2 329.360 2.284 20 30 EEEDLO COCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCO[C@@H]1C ZINC000489493290 468143502 /nfs/dbraw/zinc/14/35/02/468143502.db2.gz HJBOOASWGMDBEU-CJNGLKHVSA-N 1 2 342.399 2.234 20 30 EEEDLO COCC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCO[C@@H]1C ZINC000489493290 468143505 /nfs/dbraw/zinc/14/35/05/468143505.db2.gz HJBOOASWGMDBEU-CJNGLKHVSA-N 1 2 342.399 2.234 20 30 EEEDLO C=C(C)Cn1c(CC)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000549292965 468180631 /nfs/dbraw/zinc/18/06/31/468180631.db2.gz BOYWOXVIEQCDIL-UHFFFAOYSA-N 1 2 326.448 2.134 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496391005 468216789 /nfs/dbraw/zinc/21/67/89/468216789.db2.gz DHNBRPGSXGXNIX-KDOFPFPSSA-N 1 2 339.480 2.256 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496391005 468216793 /nfs/dbraw/zinc/21/67/93/468216793.db2.gz DHNBRPGSXGXNIX-KDOFPFPSSA-N 1 2 339.480 2.256 20 30 EEEDLO N#C[C@]1(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CCSC1 ZINC000591815589 468524930 /nfs/dbraw/zinc/52/49/30/468524930.db2.gz RILXBLYFEZPFDO-WMLDXEAASA-N 1 2 326.425 2.447 20 30 EEEDLO N#Cc1ccccc1OCC(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000556940940 468600440 /nfs/dbraw/zinc/60/04/40/468600440.db2.gz BROQEZHZDFJELG-UHFFFAOYSA-N 1 2 337.370 2.030 20 30 EEEDLO COc1ccc(-c2ccc(N3CCC[C@@H](C(N)=O)C3)[nH+]c2)c(C#N)c1 ZINC000600788920 468658322 /nfs/dbraw/zinc/65/83/22/468658322.db2.gz BQHGWUQFABBTQJ-CQSZACIVSA-N 1 2 336.395 2.331 20 30 EEEDLO Cc1c[nH]c(C(C)(C)NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)[nH+]1 ZINC000570808384 468696815 /nfs/dbraw/zinc/69/68/15/468696815.db2.gz OSXQJXKHAQVNRD-UHFFFAOYSA-N 1 2 341.415 2.291 20 30 EEEDLO CC(C)(CC#N)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000594887296 468716303 /nfs/dbraw/zinc/71/63/03/468716303.db2.gz KQHGGFBZYCNDSB-INIZCTEOSA-N 1 2 340.431 2.186 20 30 EEEDLO CC(C)(CC#N)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000594887296 468716306 /nfs/dbraw/zinc/71/63/06/468716306.db2.gz KQHGGFBZYCNDSB-INIZCTEOSA-N 1 2 340.431 2.186 20 30 EEEDLO Cc1cc(NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C#N)c[nH+]1 ZINC000601258264 468801051 /nfs/dbraw/zinc/80/10/51/468801051.db2.gz BOVWKEAVVNDYEX-GFCCVEGCSA-N 1 2 329.425 2.303 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)Cc1c[nH+]c[nH]1 ZINC000595597721 468916478 /nfs/dbraw/zinc/91/64/78/468916478.db2.gz SZZGOYOVROJBKF-CYBMUJFWSA-N 1 2 329.379 2.316 20 30 EEEDLO N#Cc1nccc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)n1 ZINC000562144042 468919606 /nfs/dbraw/zinc/91/96/06/468919606.db2.gz GNQNWUPTGDLIIP-UHFFFAOYSA-N 1 2 330.395 2.350 20 30 EEEDLO N#Cc1sccc1N1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1 ZINC000595629513 468930796 /nfs/dbraw/zinc/93/07/96/468930796.db2.gz FBMOUXWJSWUZBR-SQWLQELKSA-N 1 2 344.484 2.189 20 30 EEEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NC[C@@H](C)C#N)[C@H](C)C1 ZINC000584818531 468941567 /nfs/dbraw/zinc/94/15/67/468941567.db2.gz YCOFCAKFTZSODK-JKSUJKDBSA-N 1 2 344.459 2.461 20 30 EEEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NC[C@@H](C)C#N)[C@H](C)C1 ZINC000584818531 468941568 /nfs/dbraw/zinc/94/15/68/468941568.db2.gz YCOFCAKFTZSODK-JKSUJKDBSA-N 1 2 344.459 2.461 20 30 EEEDLO N#Cc1ccc(CCNC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000595692737 468957198 /nfs/dbraw/zinc/95/71/98/468957198.db2.gz RABLGQKXFLQTGN-UHFFFAOYSA-N 1 2 338.411 2.221 20 30 EEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000602708303 469026081 /nfs/dbraw/zinc/02/60/81/469026081.db2.gz ZKFHWLLDAWWQRN-NSHDSACASA-N 1 2 327.837 2.113 20 30 EEEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000602708303 469026090 /nfs/dbraw/zinc/02/60/90/469026090.db2.gz ZKFHWLLDAWWQRN-NSHDSACASA-N 1 2 327.837 2.113 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1 ZINC000610662345 469028823 /nfs/dbraw/zinc/02/88/23/469028823.db2.gz UGVXKODCIRYEGV-UHFFFAOYSA-N 1 2 339.399 2.149 20 30 EEEDLO N#CCC1(C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)CC1 ZINC000602763546 469059455 /nfs/dbraw/zinc/05/94/55/469059455.db2.gz PWFPJTSZZSYPEK-UHFFFAOYSA-N 1 2 331.391 2.043 20 30 EEEDLO CCO[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000598976378 469073953 /nfs/dbraw/zinc/07/39/53/469073953.db2.gz CXUUKVWKAZJZAK-GOSISDBHSA-N 1 2 327.428 2.018 20 30 EEEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CCCCCC#N)CC1 ZINC000588841834 469170435 /nfs/dbraw/zinc/17/04/35/469170435.db2.gz QVBKHNKJFFQEQQ-UHFFFAOYSA-N 1 2 342.443 2.487 20 30 EEEDLO N#Cc1sccc1N1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000596351943 469249443 /nfs/dbraw/zinc/24/94/43/469249443.db2.gz CETUIPDFDILQIX-UHFFFAOYSA-N 1 2 326.429 2.311 20 30 EEEDLO N#Cc1sccc1N1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000596351943 469249448 /nfs/dbraw/zinc/24/94/48/469249448.db2.gz CETUIPDFDILQIX-UHFFFAOYSA-N 1 2 326.429 2.311 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C)nn1-c1cc(C)[nH+]c(C)n1 ZINC000564711164 469257075 /nfs/dbraw/zinc/25/70/75/469257075.db2.gz MUFJGUKMMCIVCM-KGLIPLIRSA-N 1 2 327.388 2.117 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@@](F)(C#N)C1)c1ccccc1F ZINC000615577786 469272254 /nfs/dbraw/zinc/27/22/54/469272254.db2.gz NDJQEIZUNMDQLW-WMLDXEAASA-N 1 2 345.353 2.296 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cscc1Cl ZINC000603169044 469295858 /nfs/dbraw/zinc/29/58/58/469295858.db2.gz KYDGKCBRERMTNW-UHFFFAOYSA-N 1 2 342.852 2.481 20 30 EEEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)NCC(C)(C)C#N)CC1 ZINC000611637862 469296830 /nfs/dbraw/zinc/29/68/30/469296830.db2.gz YUNOGJASJAOIQK-UHFFFAOYSA-N 1 2 344.459 2.381 20 30 EEEDLO CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000596657290 469324548 /nfs/dbraw/zinc/32/45/48/469324548.db2.gz OCFVOXABBAWPQE-QZTJIDSGSA-N 1 2 341.455 2.406 20 30 EEEDLO COCCOCc1cc(C#N)ccc1N(C)CCCn1cc[nH+]c1 ZINC000603312427 469345486 /nfs/dbraw/zinc/34/54/86/469345486.db2.gz DEALSLBZBTXPCB-UHFFFAOYSA-N 1 2 328.416 2.444 20 30 EEEDLO C=CC[C@@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000604912290 469526763 /nfs/dbraw/zinc/52/67/63/469526763.db2.gz RQDGQVLELRXBGL-CABCVRRESA-N 1 2 336.505 2.300 20 30 EEEDLO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647483 469658107 /nfs/dbraw/zinc/65/81/07/469658107.db2.gz UIYHVTMXXGOBLQ-RHSMWYFYSA-N 1 2 346.450 2.311 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000609485598 469931922 /nfs/dbraw/zinc/93/19/22/469931922.db2.gz SYKHIBOEOPRANC-QFBILLFUSA-N 1 2 340.471 2.130 20 30 EEEDLO C=CC[N@H+](Cc1ccc(S(N)(=O)=O)o1)Cc1ccc(OC)cc1 ZINC000637959880 470900163 /nfs/dbraw/zinc/90/01/63/470900163.db2.gz JSVOTLVQJSATLH-UHFFFAOYSA-N 1 2 336.413 2.124 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(S(N)(=O)=O)o1)Cc1ccc(OC)cc1 ZINC000637959880 470900167 /nfs/dbraw/zinc/90/01/67/470900167.db2.gz JSVOTLVQJSATLH-UHFFFAOYSA-N 1 2 336.413 2.124 20 30 EEEDLO CC#CC[NH2+]Cc1cn(CCOc2ccccc2Br)nn1 ZINC000641058520 471183690 /nfs/dbraw/zinc/18/36/90/471183690.db2.gz RXXDNZXURQZAHB-UHFFFAOYSA-N 1 2 349.232 2.233 20 30 EEEDLO C=CC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000663539966 471417902 /nfs/dbraw/zinc/41/79/02/471417902.db2.gz RLWOCYRBPMZDEO-MRXNPFEDSA-N 1 2 344.459 2.416 20 30 EEEDLO C=CCCNC(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000661572020 471806257 /nfs/dbraw/zinc/80/62/57/471806257.db2.gz DOJUAIRAVGKIGT-UHFFFAOYSA-N 1 2 333.432 2.107 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000662163041 472016676 /nfs/dbraw/zinc/01/66/76/472016676.db2.gz UICUTTOGWRNOJM-WBMJQRKESA-N 1 2 326.387 2.401 20 30 EEEDLO C=CCCOCC(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000684478766 485896686 /nfs/dbraw/zinc/89/66/86/485896686.db2.gz NXSQMSOBZJPJQP-UHFFFAOYSA-N 1 2 343.349 2.342 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000104675660 526521150 /nfs/dbraw/zinc/52/11/50/526521150.db2.gz DOZRXYXIDUQVOF-UHFFFAOYSA-N 1 2 339.480 2.354 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000104675660 526521152 /nfs/dbraw/zinc/52/11/52/526521152.db2.gz DOZRXYXIDUQVOF-UHFFFAOYSA-N 1 2 339.480 2.354 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2cccc(OCC)n2)CC1 ZINC000106874339 526523584 /nfs/dbraw/zinc/52/35/84/526523584.db2.gz DJOLMIRHZIUWGT-UHFFFAOYSA-N 1 2 346.475 2.027 20 30 EEEDLO C=CCCS(=O)(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000178332242 527408652 /nfs/dbraw/zinc/40/86/52/527408652.db2.gz GJNZULBHXAVNAE-HNNXBMFYSA-N 1 2 338.473 2.280 20 30 EEEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000292080153 527658522 /nfs/dbraw/zinc/65/85/22/527658522.db2.gz DLXUROUDFRSNHR-UHFFFAOYSA-N 1 2 342.443 2.253 20 30 EEEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000292080153 527658526 /nfs/dbraw/zinc/65/85/26/527658526.db2.gz DLXUROUDFRSNHR-UHFFFAOYSA-N 1 2 342.443 2.253 20 30 EEEDLO CC[C@@](C)(CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC000455324306 535983713 /nfs/dbraw/zinc/98/37/13/535983713.db2.gz DQIFYHGOVCDNKW-IBGZPJMESA-N 1 2 344.459 2.201 20 30 EEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)COc1ccc(C#N)cc1OC ZINC000456385768 536121034 /nfs/dbraw/zinc/12/10/34/536121034.db2.gz MLLJEDGUQFBMTC-LBPRGKRZSA-N 1 2 328.372 2.039 20 30 EEEDLO C=CC[N@@H+](CCc1ccco1)CN1C[C@@](C)(C(=O)OCC)CC1=O ZINC000774558316 577403896 /nfs/dbraw/zinc/40/38/96/577403896.db2.gz CPTQFGHGHGVVBG-SFHVURJKSA-N 1 2 334.416 2.069 20 30 EEEDLO C=CC[N@H+](CCc1ccco1)CN1C[C@@](C)(C(=O)OCC)CC1=O ZINC000774558316 577403897 /nfs/dbraw/zinc/40/38/97/577403897.db2.gz CPTQFGHGHGVVBG-SFHVURJKSA-N 1 2 334.416 2.069 20 30 EEEDLO C#C[C@H](NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)[C@@H]1CCCO1 ZINC000776235154 577455363 /nfs/dbraw/zinc/45/53/63/577455363.db2.gz PLZBNNPWPQKMJB-HOCLYGCPSA-N 1 2 331.416 2.029 20 30 EEEDLO CCOC(=O)N1CCC([C@@H](C)/[NH+]=C\c2ccc(O)c(O)c2O)CC1 ZINC000777401776 577478124 /nfs/dbraw/zinc/47/81/24/577478124.db2.gz QZGGVGHEUPMHPA-IPHDDYSGSA-N 1 2 336.388 2.479 20 30 EEEDLO FC(F)(F)CO[NH+]=Cc1c(N2CCOCC2)nc2ccccn21 ZINC000764836359 577489181 /nfs/dbraw/zinc/48/91/81/577489181.db2.gz SBESEMZDQHGEFC-UHFFFAOYSA-N 1 2 328.294 2.084 20 30 EEEDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766634764 577522584 /nfs/dbraw/zinc/52/25/84/577522584.db2.gz ZXFKQABEEPUQAX-SFHVURJKSA-N 1 2 337.427 2.045 20 30 EEEDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766634764 577522585 /nfs/dbraw/zinc/52/25/85/577522585.db2.gz ZXFKQABEEPUQAX-SFHVURJKSA-N 1 2 337.427 2.045 20 30 EEEDLO COC(=O)c1ccc(N[NH+]=Cc2ccccc2N2CCOCC2)nc1 ZINC000758127055 577616320 /nfs/dbraw/zinc/61/63/20/577616320.db2.gz OFFQCYUXFCLWHK-UHFFFAOYSA-N 1 2 340.383 2.151 20 30 EEEDLO N#Cc1cccn(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1=O ZINC000758180377 577617709 /nfs/dbraw/zinc/61/77/09/577617709.db2.gz CPRBKLJAGQOSER-UHFFFAOYSA-N 1 2 342.830 2.149 20 30 EEEDLO C[N@H+](CC(F)F)C1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000760479457 577663632 /nfs/dbraw/zinc/66/36/32/577663632.db2.gz OZXMGPFMBVEBIN-UHFFFAOYSA-N 1 2 325.319 2.027 20 30 EEEDLO C[N@@H+](CC(F)F)C1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000760479457 577663633 /nfs/dbraw/zinc/66/36/33/577663633.db2.gz OZXMGPFMBVEBIN-UHFFFAOYSA-N 1 2 325.319 2.027 20 30 EEEDLO Brc1ccoc1C=NNc1ccc(-n2cc[nH+]c2)nn1 ZINC000761838595 577689888 /nfs/dbraw/zinc/68/98/88/577689888.db2.gz VUZFYTULMNBCHS-UHFFFAOYSA-N 1 2 333.149 2.464 20 30 EEEDLO Brc1ccoc1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761838595 577689889 /nfs/dbraw/zinc/68/98/89/577689889.db2.gz VUZFYTULMNBCHS-UHFFFAOYSA-N 1 2 333.149 2.464 20 30 EEEDLO CC(=NN1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000764650385 577740958 /nfs/dbraw/zinc/74/09/58/577740958.db2.gz WCUKKWCDAMGQPU-UHFFFAOYSA-N 1 2 336.867 2.148 20 30 EEEDLO C[C@H]1C[N@H+](C)CC1N=Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000752161097 577766814 /nfs/dbraw/zinc/76/68/14/577766814.db2.gz PNNBUMZSAKFERV-VIFPVBQESA-N 1 2 335.351 2.330 20 30 EEEDLO C[C@H]1C[N@@H+](C)CC1N=Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000752161097 577766815 /nfs/dbraw/zinc/76/68/15/577766815.db2.gz PNNBUMZSAKFERV-VIFPVBQESA-N 1 2 335.351 2.330 20 30 EEEDLO CSc1nnc(C(C)(C)C)c(=O)n1N=C1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000753956860 577797501 /nfs/dbraw/zinc/79/75/01/577797501.db2.gz XNNHABAGHORHIA-SNVBAGLBSA-N 1 2 335.477 2.118 20 30 EEEDLO CSc1nnc(C(C)(C)C)c(=O)n1N=C1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000753956860 577797502 /nfs/dbraw/zinc/79/75/02/577797502.db2.gz XNNHABAGHORHIA-SNVBAGLBSA-N 1 2 335.477 2.118 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccn(Cc2ccc(C)cc2)c1=O ZINC000754174324 577801678 /nfs/dbraw/zinc/80/16/78/577801678.db2.gz NRLDICHQBJFTDF-IBGZPJMESA-N 1 2 349.434 2.241 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccn(Cc2ccc(C)cc2)c1=O ZINC000754174324 577801679 /nfs/dbraw/zinc/80/16/79/577801679.db2.gz NRLDICHQBJFTDF-IBGZPJMESA-N 1 2 349.434 2.241 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(Cl)ccc2OCCC)CC1 ZINC000754301100 577804189 /nfs/dbraw/zinc/80/41/89/577804189.db2.gz JIGFUVODDZNHQW-UHFFFAOYSA-N 1 2 349.862 2.318 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000746850677 577934815 /nfs/dbraw/zinc/93/48/15/577934815.db2.gz IXIHTMUJMWOWEZ-CYBMUJFWSA-N 1 2 341.333 2.162 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000746850677 577934816 /nfs/dbraw/zinc/93/48/16/577934816.db2.gz IXIHTMUJMWOWEZ-CYBMUJFWSA-N 1 2 341.333 2.162 20 30 EEEDLO N#CCCNC(=O)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000749465892 577976951 /nfs/dbraw/zinc/97/69/51/577976951.db2.gz IAGZBZGOCXJPBI-SNVBAGLBSA-N 1 2 346.378 2.371 20 30 EEEDLO N#CCCNC(=O)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000749465892 577976952 /nfs/dbraw/zinc/97/69/52/577976952.db2.gz IAGZBZGOCXJPBI-SNVBAGLBSA-N 1 2 346.378 2.371 20 30 EEEDLO C#CCSCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000740026876 578077860 /nfs/dbraw/zinc/07/78/60/578077860.db2.gz CJYGTNWGKSXCFS-HNNXBMFYSA-N 1 2 328.441 2.175 20 30 EEEDLO Cc1n[nH]c(C(=O)N[C@H](C)C2C[NH+](Cc3ccc(C#N)cc3)C2)c1C ZINC000969419172 674979404 /nfs/dbraw/zinc/97/94/04/674979404.db2.gz BYVSKYPKACVKJH-CQSZACIVSA-N 1 2 337.427 2.149 20 30 EEEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC000969514910 675081580 /nfs/dbraw/zinc/08/15/80/675081580.db2.gz WCYHKCNDCPFKTB-LLVKDONJSA-N 1 2 343.818 2.185 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cn3c(n2)CC[C@@H](C)C3)C1 ZINC000969959742 675341793 /nfs/dbraw/zinc/34/17/93/675341793.db2.gz WGMIXZXSDAEQFY-DGCLKSJQSA-N 1 2 336.867 2.268 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc(-n3ccnc3)n2)C1 ZINC000970013059 675384648 /nfs/dbraw/zinc/38/46/48/675384648.db2.gz POSNQJPPCLJUNQ-ZDUSSCGKSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](OC)C2CCC2)C1 ZINC000972027877 678008262 /nfs/dbraw/zinc/00/82/62/678008262.db2.gz WUXWFGRLASNCRA-KGLIPLIRSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](OC)C2CCC2)C1 ZINC000972027877 678008264 /nfs/dbraw/zinc/00/82/64/678008264.db2.gz WUXWFGRLASNCRA-KGLIPLIRSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC000970938841 676254791 /nfs/dbraw/zinc/25/47/91/676254791.db2.gz SBKGRELIBIDJFA-NSHDSACASA-N 1 2 348.834 2.082 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021635589 676290532 /nfs/dbraw/zinc/29/05/32/676290532.db2.gz KWMKKOFKRWIDIP-HOTGVXAUSA-N 1 2 336.867 2.257 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cncc2C)C1 ZINC001021635589 676290534 /nfs/dbraw/zinc/29/05/34/676290534.db2.gz KWMKKOFKRWIDIP-HOTGVXAUSA-N 1 2 336.867 2.257 20 30 EEEDLO C#Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)cc1 ZINC000891313078 676355031 /nfs/dbraw/zinc/35/50/31/676355031.db2.gz GEUJMUDGPRJWKJ-QGZVFWFLSA-N 1 2 338.411 2.103 20 30 EEEDLO C#Cc1ccc(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)cc1 ZINC000891313078 676355034 /nfs/dbraw/zinc/35/50/34/676355034.db2.gz GEUJMUDGPRJWKJ-QGZVFWFLSA-N 1 2 338.411 2.103 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)C[C@H]2CCCO2)C1 ZINC000971105782 676376500 /nfs/dbraw/zinc/37/65/00/676376500.db2.gz BBNSGEBJFZNXPL-ZWKOTPCHSA-N 1 2 345.418 2.299 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)C[C@H]2CCCO2)C1 ZINC000971105782 676376501 /nfs/dbraw/zinc/37/65/01/676376501.db2.gz BBNSGEBJFZNXPL-ZWKOTPCHSA-N 1 2 345.418 2.299 20 30 EEEDLO C=CC[S@](=O)(=NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)c1ccccc1 ZINC000891379276 676525084 /nfs/dbraw/zinc/52/50/84/676525084.db2.gz CLYMMCVDHVKBKK-VOIUYBSRSA-N 1 2 346.456 2.263 20 30 EEEDLO CC(C)c1noc([C@H](C)[N@H+](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC000971504837 676603448 /nfs/dbraw/zinc/60/34/48/676603448.db2.gz OSHWPOSBLXHQBD-DZGCQCFKSA-N 1 2 330.432 2.200 20 30 EEEDLO CC(C)c1noc([C@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC000971504837 676603450 /nfs/dbraw/zinc/60/34/50/676603450.db2.gz OSHWPOSBLXHQBD-DZGCQCFKSA-N 1 2 330.432 2.200 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2nc(C)no2)C1 ZINC000971688680 676739174 /nfs/dbraw/zinc/73/91/74/676739174.db2.gz ZRAQPBKUGLQJGH-UKRRQHHQSA-N 1 2 343.431 2.273 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2nc(C)no2)C1 ZINC000971688680 676739175 /nfs/dbraw/zinc/73/91/75/676739175.db2.gz ZRAQPBKUGLQJGH-UKRRQHHQSA-N 1 2 343.431 2.273 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4nccc(C)c4c3)C2)C1 ZINC000972395140 678677179 /nfs/dbraw/zinc/67/71/79/678677179.db2.gz ZITDWGBRFOIIHF-NRFANRHFSA-N 1 2 349.434 2.093 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4nccc(C)c4c3)C2)C1 ZINC000972395140 678677181 /nfs/dbraw/zinc/67/71/81/678677181.db2.gz ZITDWGBRFOIIHF-NRFANRHFSA-N 1 2 349.434 2.093 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(F)F)nc3)C2)C1 ZINC000972404936 678689505 /nfs/dbraw/zinc/68/95/05/678689505.db2.gz JQFHSJUUYPXPKW-KRWDZBQOSA-N 1 2 337.370 2.122 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(F)F)nc3)C2)C1 ZINC000972404936 678689506 /nfs/dbraw/zinc/68/95/06/678689506.db2.gz JQFHSJUUYPXPKW-KRWDZBQOSA-N 1 2 337.370 2.122 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ncccn3)C2)cc1 ZINC001023526983 679358840 /nfs/dbraw/zinc/35/88/40/679358840.db2.gz NMANVBRUKJUQDR-QGZVFWFLSA-N 1 2 334.423 2.100 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ncccn3)C2)cc1 ZINC001023526983 679358841 /nfs/dbraw/zinc/35/88/41/679358841.db2.gz NMANVBRUKJUQDR-QGZVFWFLSA-N 1 2 334.423 2.100 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(CC)c(CC)o3)C2)C1 ZINC000972640687 679480403 /nfs/dbraw/zinc/48/04/03/679480403.db2.gz MWUNETALYNIPPQ-HXUWFJFHSA-N 1 2 344.455 2.345 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(CC)c(CC)o3)C2)C1 ZINC000972640687 679480404 /nfs/dbraw/zinc/48/04/04/679480404.db2.gz MWUNETALYNIPPQ-HXUWFJFHSA-N 1 2 344.455 2.345 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)c3ccc(F)cc3)C2)C1 ZINC000972644006 679498954 /nfs/dbraw/zinc/49/89/54/679498954.db2.gz VMMKEYDDIMJVMZ-HXUWFJFHSA-N 1 2 344.430 2.040 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)c3ccc(F)cc3)C2)C1 ZINC000972644006 679498956 /nfs/dbraw/zinc/49/89/56/679498956.db2.gz VMMKEYDDIMJVMZ-HXUWFJFHSA-N 1 2 344.430 2.040 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(C)c(C)c3)C2)C1 ZINC000972668114 679553540 /nfs/dbraw/zinc/55/35/40/679553540.db2.gz UFJJCAZOCNFEOF-FQEVSTJZSA-N 1 2 328.456 2.335 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(C)c(C)c3)C2)C1 ZINC000972668114 679553544 /nfs/dbraw/zinc/55/35/44/679553544.db2.gz UFJJCAZOCNFEOF-FQEVSTJZSA-N 1 2 328.456 2.335 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CC(c4ccccc4)C3)C2)C1 ZINC000972695269 679619641 /nfs/dbraw/zinc/61/96/41/679619641.db2.gz IJCQTXJKNAKFRL-GZNCHQMQSA-N 1 2 338.451 2.117 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CC(c4ccccc4)C3)C2)C1 ZINC000972695269 679619643 /nfs/dbraw/zinc/61/96/43/679619643.db2.gz IJCQTXJKNAKFRL-GZNCHQMQSA-N 1 2 338.451 2.117 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)[C@@H](C)c3ncc(C)o3)C2)cn1 ZINC000972757246 679750283 /nfs/dbraw/zinc/75/02/83/679750283.db2.gz WZBKMGCHMSSWBQ-YOEHRIQHSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@@H](C)c3ncc(C)o3)C2)cn1 ZINC000972757246 679750285 /nfs/dbraw/zinc/75/02/85/679750285.db2.gz WZBKMGCHMSSWBQ-YOEHRIQHSA-N 1 2 338.411 2.267 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCCO2)C(C)(C)C1 ZINC000972823094 679808798 /nfs/dbraw/zinc/80/87/98/679808798.db2.gz GALGZYSMKQHSFB-CHWSQXEVSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCCO2)C(C)(C)C1 ZINC000972823094 679808797 /nfs/dbraw/zinc/80/87/97/679808797.db2.gz GALGZYSMKQHSFB-CHWSQXEVSA-N 1 2 345.281 2.291 20 30 EEEDLO Cn1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)cn1 ZINC001024322018 679868654 /nfs/dbraw/zinc/86/86/54/679868654.db2.gz NWVZETCBWQELAD-SFHVURJKSA-N 1 2 337.427 2.076 20 30 EEEDLO Cn1cc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)cn1 ZINC001024322018 679868655 /nfs/dbraw/zinc/86/86/55/679868655.db2.gz NWVZETCBWQELAD-SFHVURJKSA-N 1 2 337.427 2.076 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cnc3n[nH]cc3c2)C(C)(C)C1 ZINC000974716458 685307435 /nfs/dbraw/zinc/30/74/35/685307435.db2.gz AINZOFUNXOERLT-CYBMUJFWSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cnc3n[nH]cc3c2)C(C)(C)C1 ZINC000974716458 685307428 /nfs/dbraw/zinc/30/74/28/685307428.db2.gz AINZOFUNXOERLT-CYBMUJFWSA-N 1 2 333.823 2.151 20 30 EEEDLO C[C@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000982823744 681335999 /nfs/dbraw/zinc/33/59/99/681335999.db2.gz FPSAIDJESZITJV-CZUORRHYSA-N 1 2 333.457 2.079 20 30 EEEDLO C[C@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000982823744 681336000 /nfs/dbraw/zinc/33/60/00/681336000.db2.gz FPSAIDJESZITJV-CZUORRHYSA-N 1 2 333.457 2.079 20 30 EEEDLO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cccc4[nH]c(C)nc43)C[C@@]2(C)C1 ZINC000982695042 682049832 /nfs/dbraw/zinc/04/98/32/682049832.db2.gz WFQYJZDKJUTSSV-BGYRXZFFSA-N 1 2 336.439 2.289 20 30 EEEDLO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cccc4[nH]c(C)nc43)C[C@@]2(C)C1 ZINC000982695042 682049837 /nfs/dbraw/zinc/04/98/37/682049837.db2.gz WFQYJZDKJUTSSV-BGYRXZFFSA-N 1 2 336.439 2.289 20 30 EEEDLO CC(C)(C(=O)N1CCCC[C@H]1[C@H]1CCCN1CC#N)c1c[nH+]c[nH]1 ZINC001025289270 682398461 /nfs/dbraw/zinc/39/84/61/682398461.db2.gz PKFYBLKMYYIQDA-CABCVRRESA-N 1 2 329.448 2.056 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc2[nH]nnc2c1 ZINC001025293577 682403446 /nfs/dbraw/zinc/40/34/46/682403446.db2.gz DQPUHIKKEMVGGB-ZWKOTPCHSA-N 1 2 337.427 2.050 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccc2[nH]nnc2c1 ZINC001025293577 682403447 /nfs/dbraw/zinc/40/34/47/682403447.db2.gz DQPUHIKKEMVGGB-ZWKOTPCHSA-N 1 2 337.427 2.050 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](NC(=O)C(F)F)[C@@H]1C ZINC000992940432 683671561 /nfs/dbraw/zinc/67/15/61/683671561.db2.gz BSOFKLCMXXZRHK-FZMZJTMJSA-N 1 2 337.370 2.301 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](NC(=O)C(F)F)[C@@H]1C ZINC000992940432 683671562 /nfs/dbraw/zinc/67/15/62/683671562.db2.gz BSOFKLCMXXZRHK-FZMZJTMJSA-N 1 2 337.370 2.301 20 30 EEEDLO Cc1cc(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)[nH]n1 ZINC001029268301 683745297 /nfs/dbraw/zinc/74/52/97/683745297.db2.gz BVPQYJSOLWHZBW-KDURUIRLSA-N 1 2 349.438 2.008 20 30 EEEDLO Cc1cc(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)[nH]n1 ZINC001029268301 683745300 /nfs/dbraw/zinc/74/53/00/683745300.db2.gz BVPQYJSOLWHZBW-KDURUIRLSA-N 1 2 349.438 2.008 20 30 EEEDLO Cn1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)c1 ZINC001029272177 683769845 /nfs/dbraw/zinc/76/98/45/683769845.db2.gz HLXGYZLMVASYDG-BGYRXZFFSA-N 1 2 333.435 2.366 20 30 EEEDLO Cn1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)c1 ZINC001029272177 683769850 /nfs/dbraw/zinc/76/98/50/683769850.db2.gz HLXGYZLMVASYDG-BGYRXZFFSA-N 1 2 333.435 2.366 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2ccon2)CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000993055498 683810045 /nfs/dbraw/zinc/81/00/45/683810045.db2.gz UZCQFUUHPFGRNN-WMLDXEAASA-N 1 2 341.386 2.448 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2ccon2)CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000993055498 683810047 /nfs/dbraw/zinc/81/00/47/683810047.db2.gz UZCQFUUHPFGRNN-WMLDXEAASA-N 1 2 341.386 2.448 20 30 EEEDLO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895164267 684166861 /nfs/dbraw/zinc/16/68/61/684166861.db2.gz BJEKVORAAHLNEM-CQSZACIVSA-N 1 2 334.807 2.304 20 30 EEEDLO Cc1cc(C)c(C(=O)NC[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)c(C)[nH+]1 ZINC000975450976 686586807 /nfs/dbraw/zinc/58/68/07/686586807.db2.gz MUKROSWEQIRPOA-CZUORRHYSA-N 1 2 342.443 2.135 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC([N@@H+](C)Cc2ncnn2C(C)C)CC1 ZINC000985574420 687190084 /nfs/dbraw/zinc/19/00/84/687190084.db2.gz OYOXFCAJIDFQMA-UHFFFAOYSA-N 1 2 333.480 2.494 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC([N@H+](C)Cc2ncnn2C(C)C)CC1 ZINC000985574420 687190087 /nfs/dbraw/zinc/19/00/87/687190087.db2.gz OYOXFCAJIDFQMA-UHFFFAOYSA-N 1 2 333.480 2.494 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CCCO2)C1 ZINC001027314118 687390163 /nfs/dbraw/zinc/39/01/63/687390163.db2.gz QIVPSOXDWQTZQA-UONOGXRCSA-N 1 2 345.281 2.387 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CCCO2)C1 ZINC001027314118 687390169 /nfs/dbraw/zinc/39/01/69/687390169.db2.gz QIVPSOXDWQTZQA-UONOGXRCSA-N 1 2 345.281 2.387 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000066871805 687427287 /nfs/dbraw/zinc/42/72/87/687427287.db2.gz SUTGJDYGMHRXNE-UHFFFAOYSA-N 1 2 338.392 2.222 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CCOC2)C1 ZINC001027343077 687580643 /nfs/dbraw/zinc/58/06/43/687580643.db2.gz PEGYAYHSRJVUQG-UONOGXRCSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CCOC2)C1 ZINC001027343077 687580648 /nfs/dbraw/zinc/58/06/48/687580648.db2.gz PEGYAYHSRJVUQG-UONOGXRCSA-N 1 2 345.281 2.244 20 30 EEEDLO CCc1cnc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001027371766 687765112 /nfs/dbraw/zinc/76/51/12/687765112.db2.gz IUZWOKDNHMCXPC-CQSZACIVSA-N 1 2 341.415 2.173 20 30 EEEDLO CCc1cnc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001027371766 687765117 /nfs/dbraw/zinc/76/51/17/687765117.db2.gz IUZWOKDNHMCXPC-CQSZACIVSA-N 1 2 341.415 2.173 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)on1 ZINC001006722156 688084400 /nfs/dbraw/zinc/08/44/00/688084400.db2.gz LTLUTXVPUKXOKZ-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)on1 ZINC001006722156 688084403 /nfs/dbraw/zinc/08/44/03/688084403.db2.gz LTLUTXVPUKXOKZ-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001059706315 688427739 /nfs/dbraw/zinc/42/77/39/688427739.db2.gz AOHAOKNMYXHHRA-OAHLLOKOSA-N 1 2 346.475 2.218 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001059745879 688988911 /nfs/dbraw/zinc/98/89/11/688988911.db2.gz JTWSWLYVEZZCFG-INIZCTEOSA-N 1 2 346.475 2.064 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001060178214 694256921 /nfs/dbraw/zinc/25/69/21/694256921.db2.gz NAXCGQOKJRJSSK-IAGOWNOFSA-N 1 2 346.475 2.230 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCCCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000987143928 689416636 /nfs/dbraw/zinc/41/66/36/689416636.db2.gz AFWYGFPCBOMHEA-HNNXBMFYSA-N 1 2 344.459 2.196 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]2CNC(=O)c2ccon2)ccc1F ZINC001027765920 694408444 /nfs/dbraw/zinc/40/84/44/694408444.db2.gz LMFWBAMSIKOQRN-AWEZNQCLSA-N 1 2 328.347 2.080 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@H]2CNC(=O)c2ccon2)ccc1F ZINC001027765920 694408445 /nfs/dbraw/zinc/40/84/45/694408445.db2.gz LMFWBAMSIKOQRN-AWEZNQCLSA-N 1 2 328.347 2.080 20 30 EEEDLO CC(C)CCc1noc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)n1 ZINC000988812953 691239796 /nfs/dbraw/zinc/23/97/96/691239796.db2.gz PIPAFRVJWBREGA-ZBFHGGJFSA-N 1 2 344.459 2.151 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]Cc3nnc(CC)o3)C[C@@H]2C)cc1 ZINC000989276598 691565899 /nfs/dbraw/zinc/56/58/99/691565899.db2.gz VAFXFGOIVOZXGP-BBRMVZONSA-N 1 2 338.411 2.006 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2[N@H+](Cc2nccs2)CC3)c1 ZINC000990162015 692707329 /nfs/dbraw/zinc/70/73/29/692707329.db2.gz NRQVZOYCXDQVMB-PBHICJAKSA-N 1 2 341.440 2.270 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@]23CCC[C@H]2[N@@H+](Cc2nccs2)CC3)c1 ZINC000990162015 692707332 /nfs/dbraw/zinc/70/73/32/692707332.db2.gz NRQVZOYCXDQVMB-PBHICJAKSA-N 1 2 341.440 2.270 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3cc(C)on3)C2)c1 ZINC001027568825 693097519 /nfs/dbraw/zinc/09/75/19/693097519.db2.gz TUGFHNITLRCOJL-GOSISDBHSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3cc(C)on3)C2)c1 ZINC001027568825 693097523 /nfs/dbraw/zinc/09/75/23/693097523.db2.gz TUGFHNITLRCOJL-GOSISDBHSA-N 1 2 338.411 2.096 20 30 EEEDLO Cc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)c1C ZINC001027800581 694588233 /nfs/dbraw/zinc/58/82/33/694588233.db2.gz WKCKLBCPOOPNET-KRWDZBQOSA-N 1 2 337.427 2.293 20 30 EEEDLO Cc1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)c1C ZINC001027800581 694588235 /nfs/dbraw/zinc/58/82/35/694588235.db2.gz WKCKLBCPOOPNET-KRWDZBQOSA-N 1 2 337.427 2.293 20 30 EEEDLO Cc1ccoc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001038062361 693384476 /nfs/dbraw/zinc/38/44/76/693384476.db2.gz FNNCHZXITPAYES-INIZCTEOSA-N 1 2 339.395 2.495 20 30 EEEDLO Cc1ccoc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001038062361 693384480 /nfs/dbraw/zinc/38/44/80/693384480.db2.gz FNNCHZXITPAYES-INIZCTEOSA-N 1 2 339.395 2.495 20 30 EEEDLO C[C@@H](CNC(=O)C(F)C(F)(F)F)C[NH2+]Cc1ccc(C#N)cc1 ZINC001482103514 1183337224 /nfs/dbraw/zinc/33/72/24/1183337224.db2.gz VPOKNQZOIPQHEN-MFKMUULPSA-N 1 2 331.313 2.301 20 30 EEEDLO C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)C[NH2+]Cc1ccc(C#N)cc1 ZINC001482103514 1183337228 /nfs/dbraw/zinc/33/72/28/1183337228.db2.gz VPOKNQZOIPQHEN-MFKMUULPSA-N 1 2 331.313 2.301 20 30 EEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@@H]2CCCc3c[nH]nc32)C1 ZINC000330113534 1185716363 /nfs/dbraw/zinc/71/63/63/1185716363.db2.gz DBBMBOLSMRETJQ-DZGCQCFKSA-N 1 2 342.447 2.389 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/nfs/dbraw/zinc/72/92/04/1229729204.db2.gz MOTMFVYAFPEJDJ-CQSZACIVSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc3cc[nH]c3n2)c1 ZINC001038375437 1229778234 /nfs/dbraw/zinc/77/82/34/1229778234.db2.gz BUFVGHLUIMKRTR-KRWDZBQOSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc3cc[nH]c3n2)c1 ZINC001038375437 1229778237 /nfs/dbraw/zinc/77/82/37/1229778237.db2.gz BUFVGHLUIMKRTR-KRWDZBQOSA-N 1 2 345.406 2.439 20 30 EEEDLO CCCc1cc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)[nH]n1 ZINC001038571696 1229921815 /nfs/dbraw/zinc/92/18/15/1229921815.db2.gz IWZCZGSNGLMEHC-KRWDZBQOSA-N 1 2 337.427 2.238 20 30 EEEDLO CCCc1cc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)[nH]n1 ZINC001038571696 1229921818 /nfs/dbraw/zinc/92/18/18/1229921818.db2.gz IWZCZGSNGLMEHC-KRWDZBQOSA-N 1 2 337.427 2.238 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cocc2C)cc1C#N ZINC001038586582 1229929829 /nfs/dbraw/zinc/92/98/29/1229929829.db2.gz JYGCJRAFGJMYDY-MRXNPFEDSA-N 1 2 339.395 2.473 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cocc2C)cc1C#N ZINC001038586582 1229929835 /nfs/dbraw/zinc/92/98/35/1229929835.db2.gz JYGCJRAFGJMYDY-MRXNPFEDSA-N 1 2 339.395 2.473 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccnc(C3CC3)n2)c1 ZINC001038760017 1230030162 /nfs/dbraw/zinc/03/01/62/1230030162.db2.gz KQUHNDNSWSGLPB-KRWDZBQOSA-N 1 2 347.422 2.230 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccnc(C3CC3)n2)c1 ZINC001038760017 1230030166 /nfs/dbraw/zinc/03/01/66/1230030166.db2.gz KQUHNDNSWSGLPB-KRWDZBQOSA-N 1 2 347.422 2.230 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2C2CC2)cc1F ZINC001038798257 1230064624 /nfs/dbraw/zinc/06/46/24/1230064624.db2.gz BTCLGAUALSGSGM-YESZJQIVSA-N 1 2 327.403 2.434 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2C2CC2)cc1F ZINC001038798257 1230064629 /nfs/dbraw/zinc/06/46/29/1230064629.db2.gz BTCLGAUALSGSGM-YESZJQIVSA-N 1 2 327.403 2.434 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)CC2(C)C)nc1 ZINC001067328824 1231390071 /nfs/dbraw/zinc/39/00/71/1231390071.db2.gz TXMUWTJXDNBLTK-KRWDZBQOSA-N 1 2 349.438 2.196 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCCO[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001041525593 1231581496 /nfs/dbraw/zinc/58/14/96/1231581496.db2.gz NXMDDBYJKOLNPY-CRAIPNDOSA-N 1 2 332.448 2.417 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3nnc(C)n3CC)C2)C1 ZINC001041541901 1231587717 /nfs/dbraw/zinc/58/77/17/1231587717.db2.gz AAAYDURSWVBTFX-LJQANCHMSA-N 1 2 345.491 2.243 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](Cc3nnc(C)n3CC)C2)C1 ZINC001041541901 1231587719 /nfs/dbraw/zinc/58/77/19/1231587719.db2.gz AAAYDURSWVBTFX-LJQANCHMSA-N 1 2 345.491 2.243 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@@H]2CC[N@H+](Cc3ncc(C4CC4)o3)[C@H]2C1 ZINC001042057796 1231859359 /nfs/dbraw/zinc/85/93/59/1231859359.db2.gz MWEBAGJTULLIBS-RDJZCZTQSA-N 1 2 339.439 2.388 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@H]2C1 ZINC001042057796 1231859361 /nfs/dbraw/zinc/85/93/61/1231859361.db2.gz MWEBAGJTULLIBS-RDJZCZTQSA-N 1 2 339.439 2.388 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]cc4ncnc3-4)C[C@@H]21 ZINC001042067465 1231865205 /nfs/dbraw/zinc/86/52/05/1231865205.db2.gz QERKPOLLPSCGJM-DOMZBBRYSA-N 1 2 345.834 2.247 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]cc4ncnc3-4)C[C@@H]21 ZINC001042067465 1231865207 /nfs/dbraw/zinc/86/52/07/1231865207.db2.gz QERKPOLLPSCGJM-DOMZBBRYSA-N 1 2 345.834 2.247 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001042181361 1231941149 /nfs/dbraw/zinc/94/11/49/1231941149.db2.gz GCYQRANQCRCWHV-WBVHZDCISA-N 1 2 345.491 2.241 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3nn(CC)nc3C)[C@H]2C1 ZINC001042181361 1231941152 /nfs/dbraw/zinc/94/11/52/1231941152.db2.gz GCYQRANQCRCWHV-WBVHZDCISA-N 1 2 345.491 2.241 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](Cc2cc(C)ccc2OC)C1 ZINC001043914355 1232623112 /nfs/dbraw/zinc/62/31/12/1232623112.db2.gz BHXGZKNGJKJCLN-MSOLQXFVSA-N 1 2 344.455 2.237 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](CCOc2ccccc2C)C1 ZINC001043923487 1232625906 /nfs/dbraw/zinc/62/59/06/1232625906.db2.gz PAARSQCOEHPHHD-MSOLQXFVSA-N 1 2 344.455 2.108 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnnn2CC)CC1 ZINC001095970900 1232789147 /nfs/dbraw/zinc/78/91/47/1232789147.db2.gz WOKJBDVTQLEFTN-NJAFHUGGSA-N 1 2 343.475 2.266 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnnn2CC)CC1 ZINC001095970900 1232789153 /nfs/dbraw/zinc/78/91/53/1232789153.db2.gz WOKJBDVTQLEFTN-NJAFHUGGSA-N 1 2 343.475 2.266 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H]2CO[C@H](C)C2)CC1 ZINC001045490572 1233776479 /nfs/dbraw/zinc/77/64/79/1233776479.db2.gz RHYYJXLJEGDRQU-CHWSQXEVSA-N 1 2 345.281 2.291 20 30 EEEDLO C=CC[NH+]1CCC(C)(NC(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC001045521495 1233791657 /nfs/dbraw/zinc/79/16/57/1233791657.db2.gz YCVMCBGXTBWBPR-UHFFFAOYSA-N 1 2 325.416 2.242 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cn1 ZINC001096035694 1233850671 /nfs/dbraw/zinc/85/06/71/1233850671.db2.gz NJZMORBMALTLIC-ZBRFXRBCSA-N 1 2 345.418 2.033 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cn1 ZINC001096035694 1233850674 /nfs/dbraw/zinc/85/06/74/1233850674.db2.gz NJZMORBMALTLIC-ZBRFXRBCSA-N 1 2 345.418 2.033 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(CC)no1 ZINC001045827983 1234042578 /nfs/dbraw/zinc/04/25/78/1234042578.db2.gz YWKUBXUTZOJOEX-KGLIPLIRSA-N 1 2 332.448 2.410 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(CC)no1 ZINC001045827983 1234042580 /nfs/dbraw/zinc/04/25/80/1234042580.db2.gz YWKUBXUTZOJOEX-KGLIPLIRSA-N 1 2 332.448 2.410 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc(C)n1 ZINC001045851075 1234069179 /nfs/dbraw/zinc/06/91/79/1234069179.db2.gz QEDIBCNHTSFQTF-XDNAFOTISA-N 1 2 345.443 2.139 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc(C)n1 ZINC001045851075 1234069181 /nfs/dbraw/zinc/06/91/81/1234069181.db2.gz QEDIBCNHTSFQTF-XDNAFOTISA-N 1 2 345.443 2.139 20 30 EEEDLO CC(C)(C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)C1CCCCC1 ZINC001046068210 1234401693 /nfs/dbraw/zinc/40/16/93/1234401693.db2.gz GVNFCNKPDHMOFE-GOSISDBHSA-N 1 2 346.519 2.335 20 30 EEEDLO CC1=C(C)C[C@](C)(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046087214 1234423727 /nfs/dbraw/zinc/42/37/27/1234423727.db2.gz PHWKEWQZIJPOPK-UYAOXDASSA-N 1 2 344.503 2.255 20 30 EEEDLO Cc1cc(C(=O)N[C@@]2(C)CC[N@H+](CC#Cc3ccc(F)cc3)C2)on1 ZINC001046127574 1234471208 /nfs/dbraw/zinc/47/12/08/1234471208.db2.gz AKRZDYZNFXPHNH-IBGZPJMESA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1cc(C(=O)N[C@@]2(C)CC[N@@H+](CC#Cc3ccc(F)cc3)C2)on1 ZINC001046127574 1234471209 /nfs/dbraw/zinc/47/12/09/1234471209.db2.gz AKRZDYZNFXPHNH-IBGZPJMESA-N 1 2 341.386 2.368 20 30 EEEDLO C[C@]1(NC(=O)c2cocn2)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046193597 1234538620 /nfs/dbraw/zinc/53/86/20/1234538620.db2.gz GMMTZIMAELVWNK-SFHVURJKSA-N 1 2 327.359 2.060 20 30 EEEDLO C[C@]1(NC(=O)c2cocn2)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001046193597 1234538624 /nfs/dbraw/zinc/53/86/24/1234538624.db2.gz GMMTZIMAELVWNK-SFHVURJKSA-N 1 2 327.359 2.060 20 30 EEEDLO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001046252533 1234596490 /nfs/dbraw/zinc/59/64/90/1234596490.db2.gz CAZRBCYOBXCAKJ-QGZVFWFLSA-N 1 2 343.818 2.329 20 30 EEEDLO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001046252533 1234596495 /nfs/dbraw/zinc/59/64/95/1234596495.db2.gz CAZRBCYOBXCAKJ-QGZVFWFLSA-N 1 2 343.818 2.329 20 30 EEEDLO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001046253381 1234598071 /nfs/dbraw/zinc/59/80/71/1234598071.db2.gz XHHZGNHXJVZBHQ-QGZVFWFLSA-N 1 2 343.818 2.329 20 30 EEEDLO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001046253381 1234598074 /nfs/dbraw/zinc/59/80/74/1234598074.db2.gz XHHZGNHXJVZBHQ-QGZVFWFLSA-N 1 2 343.818 2.329 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2nccs2)C1 ZINC001046319037 1234663684 /nfs/dbraw/zinc/66/36/84/1234663684.db2.gz HVBHCNPFGZFAKE-JKIFEVAISA-N 1 2 335.473 2.205 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2nccs2)C1 ZINC001046319037 1234663688 /nfs/dbraw/zinc/66/36/88/1234663688.db2.gz HVBHCNPFGZFAKE-JKIFEVAISA-N 1 2 335.473 2.205 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001046341186 1234683532 /nfs/dbraw/zinc/68/35/32/1234683532.db2.gz KJLQQMWEKRZZIP-KRWDZBQOSA-N 1 2 333.819 2.128 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c(c2)NC(=O)C3)C1 ZINC001046341186 1234683534 /nfs/dbraw/zinc/68/35/34/1234683534.db2.gz KJLQQMWEKRZZIP-KRWDZBQOSA-N 1 2 333.819 2.128 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001046373920 1234722935 /nfs/dbraw/zinc/72/29/35/1234722935.db2.gz IJRJUMORBVYNRC-FZKQIMNGSA-N 1 2 343.431 2.321 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001046373920 1234722938 /nfs/dbraw/zinc/72/29/38/1234722938.db2.gz IJRJUMORBVYNRC-FZKQIMNGSA-N 1 2 343.431 2.321 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001046427983 1234790990 /nfs/dbraw/zinc/79/09/90/1234790990.db2.gz GRZOWJNUIMGMPR-KRWDZBQOSA-N 1 2 349.866 2.024 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001046427983 1234790994 /nfs/dbraw/zinc/79/09/94/1234790994.db2.gz GRZOWJNUIMGMPR-KRWDZBQOSA-N 1 2 349.866 2.024 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2csc(NC(C)=O)n2)C1 ZINC001046446070 1234813153 /nfs/dbraw/zinc/81/31/53/1234813153.db2.gz VYFPBBBEIPFXDK-AWEZNQCLSA-N 1 2 342.852 2.048 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2csc(NC(C)=O)n2)C1 ZINC001046446070 1234813155 /nfs/dbraw/zinc/81/31/55/1234813155.db2.gz VYFPBBBEIPFXDK-AWEZNQCLSA-N 1 2 342.852 2.048 20 30 EEEDLO Cc1nc(N2CCC(N(C)C(=O)[C@@H](C)C#N)CC2)c2c([nH+]1)CCCC2 ZINC001096100414 1234858714 /nfs/dbraw/zinc/85/87/14/1234858714.db2.gz HANSKTNILIPLRC-ZDUSSCGKSA-N 1 2 341.459 2.251 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001046736239 1235129181 /nfs/dbraw/zinc/12/91/81/1235129181.db2.gz DSASGVKBZILHAO-QGZVFWFLSA-N 1 2 347.850 2.223 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C)nc3c2cnn3C)C1 ZINC001046736239 1235129184 /nfs/dbraw/zinc/12/91/84/1235129184.db2.gz DSASGVKBZILHAO-QGZVFWFLSA-N 1 2 347.850 2.223 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001046808000 1235206580 /nfs/dbraw/zinc/20/65/80/1235206580.db2.gz PASARSCNSXWCON-YVEFUNNKSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnn3c2C[C@@H](C)CC3)C1 ZINC001046808000 1235206585 /nfs/dbraw/zinc/20/65/85/1235206585.db2.gz PASARSCNSXWCON-YVEFUNNKSA-N 1 2 336.867 2.412 20 30 EEEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3cccc(Cl)c3o2)C1 ZINC001047659209 1236355952 /nfs/dbraw/zinc/35/59/52/1236355952.db2.gz SKIMTXZDXYPNIV-GJZGRUSLSA-N 1 2 346.814 2.227 20 30 EEEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3cccc(Cl)c3o2)C1 ZINC001047659209 1236355966 /nfs/dbraw/zinc/35/59/66/1236355966.db2.gz SKIMTXZDXYPNIV-GJZGRUSLSA-N 1 2 346.814 2.227 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001056455713 1239389434 /nfs/dbraw/zinc/38/94/34/1239389434.db2.gz HDUJUUNLXAFVRI-JHNDHUHGSA-N 1 2 342.443 2.071 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001056455713 1239389437 /nfs/dbraw/zinc/38/94/37/1239389437.db2.gz HDUJUUNLXAFVRI-JHNDHUHGSA-N 1 2 342.443 2.071 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001056489626 1239407241 /nfs/dbraw/zinc/40/72/41/1239407241.db2.gz RUSOFENACABRLW-DLBZAZTESA-N 1 2 344.459 2.209 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([NH2+]Cc3nc(CC4CC4)no3)C2)C1 ZINC001000136616 1239983947 /nfs/dbraw/zinc/98/39/47/1239983947.db2.gz OOHNUVBWROVMRF-OAHLLOKOSA-N 1 2 344.459 2.459 20 30 EEEDLO Cc1nc(C[N@H+]2CC=C(CNC(=O)c3c[nH]c(C#N)c3)CC2)c(C)o1 ZINC001000600221 1240573311 /nfs/dbraw/zinc/57/33/11/1240573311.db2.gz QUKMWTREGCVBDJ-UHFFFAOYSA-N 1 2 339.399 2.053 20 30 EEEDLO Cc1nc(C[N@@H+]2CC=C(CNC(=O)c3c[nH]c(C#N)c3)CC2)c(C)o1 ZINC001000600221 1240573321 /nfs/dbraw/zinc/57/33/21/1240573321.db2.gz QUKMWTREGCVBDJ-UHFFFAOYSA-N 1 2 339.399 2.053 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)co1 ZINC001049399984 1240790383 /nfs/dbraw/zinc/79/03/83/1240790383.db2.gz CTQRFJITPKPINP-SJORKVTESA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)co1 ZINC001049399984 1240790387 /nfs/dbraw/zinc/79/03/87/1240790387.db2.gz CTQRFJITPKPINP-SJORKVTESA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)o1 ZINC001049401643 1240795648 /nfs/dbraw/zinc/79/56/48/1240795648.db2.gz OUAAFGJKSSCBGI-JKSUJKDBSA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)o1 ZINC001049401643 1240795654 /nfs/dbraw/zinc/79/56/54/1240795654.db2.gz OUAAFGJKSSCBGI-JKSUJKDBSA-N 1 2 339.399 2.062 20 30 EEEDLO N#Cc1cc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2nccs2)c[nH]1 ZINC001049425567 1240878190 /nfs/dbraw/zinc/87/81/90/1240878190.db2.gz NMVKRFKVCDBUDH-GJZGRUSLSA-N 1 2 341.440 2.222 20 30 EEEDLO N#Cc1cc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2nccs2)c[nH]1 ZINC001049425567 1240878200 /nfs/dbraw/zinc/87/82/00/1240878200.db2.gz NMVKRFKVCDBUDH-GJZGRUSLSA-N 1 2 341.440 2.222 20 30 EEEDLO C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049511165 1241175134 /nfs/dbraw/zinc/17/51/34/1241175134.db2.gz LMBUWHWURGYJCK-HOTGVXAUSA-N 1 2 331.485 2.122 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC001001468198 1242329763 /nfs/dbraw/zinc/32/97/63/1242329763.db2.gz XPOXIQJFGFRAMS-CQSZACIVSA-N 1 2 334.851 2.015 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC001001468198 1242329770 /nfs/dbraw/zinc/32/97/70/1242329770.db2.gz XPOXIQJFGFRAMS-CQSZACIVSA-N 1 2 334.851 2.015 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2nc(C)sc2C)C1 ZINC001073657911 1242609901 /nfs/dbraw/zinc/60/99/01/1242609901.db2.gz RMGJKICIYYDMNA-CYBMUJFWSA-N 1 2 343.880 2.333 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2nc(C)sc2C)C1 ZINC001073657911 1242609916 /nfs/dbraw/zinc/60/99/16/1242609916.db2.gz RMGJKICIYYDMNA-CYBMUJFWSA-N 1 2 343.880 2.333 20 30 EEEDLO N#Cc1ccc(N[C@H]2CCCCCN(C(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC001049933558 1242770334 /nfs/dbraw/zinc/77/03/34/1242770334.db2.gz ZVIQTHCOWQLAFP-HNNXBMFYSA-N 1 2 338.415 2.102 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001073995756 1242889739 /nfs/dbraw/zinc/88/97/39/1242889739.db2.gz BVAHBEBPQRVMDN-GJZGRUSLSA-N 1 2 332.448 2.052 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccon2)C3)cc1F ZINC001096843771 1243358123 /nfs/dbraw/zinc/35/81/23/1243358123.db2.gz WFJNVFJNRODGCJ-XYPHTWIQSA-N 1 2 340.358 2.221 20 30 EEEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccon2)C3)cc1F ZINC001096843771 1243358127 /nfs/dbraw/zinc/35/81/27/1243358127.db2.gz WFJNVFJNRODGCJ-XYPHTWIQSA-N 1 2 340.358 2.221 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCO1)C2 ZINC001096963921 1243495749 /nfs/dbraw/zinc/49/57/49/1243495749.db2.gz ABQLSTSIHCMLIY-AKHDSKFASA-N 1 2 339.439 2.349 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCO1)C2 ZINC001096963921 1243495757 /nfs/dbraw/zinc/49/57/57/1243495757.db2.gz ABQLSTSIHCMLIY-AKHDSKFASA-N 1 2 339.439 2.349 20 30 EEEDLO Cc1nsc(N[C@H]2C[C@@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)c1C#N ZINC001097254722 1243879100 /nfs/dbraw/zinc/87/91/00/1243879100.db2.gz RILFJBIHLBFSBD-WCFLWFBJSA-N 1 2 344.444 2.230 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H](C)[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001050582305 1243886386 /nfs/dbraw/zinc/88/63/86/1243886386.db2.gz WRGUZFBSSVROSD-CABCVRRESA-N 1 2 344.459 2.052 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N[C@@H]1[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]21 ZINC001097583631 1244415594 /nfs/dbraw/zinc/41/55/94/1244415594.db2.gz FJJKSDTZNIZJMT-RKUHIEFHSA-N 1 2 328.460 2.411 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(C2CCC2)c1 ZINC001050913359 1244609342 /nfs/dbraw/zinc/60/93/42/1244609342.db2.gz PIOINWNWOOYPAI-QGZVFWFLSA-N 1 2 332.448 2.005 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(C2CCC2)c1 ZINC001050913359 1244609347 /nfs/dbraw/zinc/60/93/47/1244609347.db2.gz PIOINWNWOOYPAI-QGZVFWFLSA-N 1 2 332.448 2.005 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001050927535 1244643861 /nfs/dbraw/zinc/64/38/61/1244643861.db2.gz MQEJRRXOIIWPHK-CQSZACIVSA-N 1 2 334.464 2.104 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001050927535 1244643871 /nfs/dbraw/zinc/64/38/71/1244643871.db2.gz MQEJRRXOIIWPHK-CQSZACIVSA-N 1 2 334.464 2.104 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnn1C1CCCC1 ZINC001050939055 1244667945 /nfs/dbraw/zinc/66/79/45/1244667945.db2.gz CGONVZZBHYFISI-INIZCTEOSA-N 1 2 332.448 2.005 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnn1C1CCCC1 ZINC001050939055 1244667954 /nfs/dbraw/zinc/66/79/54/1244667954.db2.gz CGONVZZBHYFISI-INIZCTEOSA-N 1 2 332.448 2.005 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(NC(=O)CC)c1 ZINC001050944892 1244685817 /nfs/dbraw/zinc/68/58/17/1244685817.db2.gz FVWHVKQBSQIBGG-KRWDZBQOSA-N 1 2 345.443 2.042 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(NC(=O)CC)c1 ZINC001050944892 1244685826 /nfs/dbraw/zinc/68/58/26/1244685826.db2.gz FVWHVKQBSQIBGG-KRWDZBQOSA-N 1 2 345.443 2.042 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3ncnn3CC)CC2)C1 ZINC001052691769 1244763683 /nfs/dbraw/zinc/76/36/83/1244763683.db2.gz YILPRSPJUAMPOD-OAHLLOKOSA-N 1 2 331.464 2.125 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3ncnn3CC)CC2)C1 ZINC001052691769 1244763692 /nfs/dbraw/zinc/76/36/92/1244763692.db2.gz YILPRSPJUAMPOD-OAHLLOKOSA-N 1 2 331.464 2.125 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(-c2ccco2)on1 ZINC001051054754 1244916819 /nfs/dbraw/zinc/91/68/19/1244916819.db2.gz JFKQBDVPUKUTMB-CQSZACIVSA-N 1 2 345.399 2.331 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(-c2ccco2)on1 ZINC001051054754 1244916828 /nfs/dbraw/zinc/91/68/28/1244916828.db2.gz JFKQBDVPUKUTMB-CQSZACIVSA-N 1 2 345.399 2.331 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1csc(-c2ccco2)n1 ZINC001051088669 1244962618 /nfs/dbraw/zinc/96/26/18/1244962618.db2.gz XVMNRSNLSJAIJT-CYBMUJFWSA-N 1 2 347.440 2.410 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1csc(-c2ccco2)n1 ZINC001051088669 1244962623 /nfs/dbraw/zinc/96/26/23/1244962623.db2.gz XVMNRSNLSJAIJT-CYBMUJFWSA-N 1 2 347.440 2.410 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001051092495 1244969685 /nfs/dbraw/zinc/96/96/85/1244969685.db2.gz UYJDVUAFXVFGOB-KRWDZBQOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001051092495 1244969696 /nfs/dbraw/zinc/96/96/96/1244969696.db2.gz UYJDVUAFXVFGOB-KRWDZBQOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C2CC2)nc1C ZINC001051120438 1245004838 /nfs/dbraw/zinc/00/48/38/1245004838.db2.gz KTKCTVOABSSCMJ-INIZCTEOSA-N 1 2 329.444 2.274 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C2CC2)nc1C ZINC001051120438 1245004844 /nfs/dbraw/zinc/00/48/44/1245004844.db2.gz KTKCTVOABSSCMJ-INIZCTEOSA-N 1 2 329.444 2.274 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC001051152095 1245053673 /nfs/dbraw/zinc/05/36/73/1245053673.db2.gz CIOUAYBRDBFHOI-NZSAHSFTSA-N 1 2 344.455 2.192 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC001051152095 1245053680 /nfs/dbraw/zinc/05/36/80/1245053680.db2.gz CIOUAYBRDBFHOI-NZSAHSFTSA-N 1 2 344.455 2.192 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2cccc(OC)c21 ZINC001051151878 1245053974 /nfs/dbraw/zinc/05/39/74/1245053974.db2.gz DVFSCCMIIDHJKX-IAGOWNOFSA-N 1 2 344.455 2.118 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2cccc(OC)c21 ZINC001051151878 1245053984 /nfs/dbraw/zinc/05/39/84/1245053984.db2.gz DVFSCCMIIDHJKX-IAGOWNOFSA-N 1 2 344.455 2.118 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(-c2cnco2)c1 ZINC001051193330 1245370519 /nfs/dbraw/zinc/37/05/19/1245370519.db2.gz YWSHNODTZQWATG-KRWDZBQOSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(-c2cnco2)c1 ZINC001051193330 1245370515 /nfs/dbraw/zinc/37/05/15/1245370515.db2.gz YWSHNODTZQWATG-KRWDZBQOSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ncccc1C(F)(F)F ZINC001051199127 1245378081 /nfs/dbraw/zinc/37/80/81/1245378081.db2.gz DXSKVEMLVJHIDM-GFCCVEGCSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ncccc1C(F)(F)F ZINC001051199127 1245378086 /nfs/dbraw/zinc/37/80/86/1245378086.db2.gz DXSKVEMLVJHIDM-GFCCVEGCSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CCC1(C(=O)N2C[C@H]3C[N@H+](Cc4cnon4)C[C@@]3(C)C2)CCC1 ZINC001101356451 1245708254 /nfs/dbraw/zinc/70/82/54/1245708254.db2.gz WLXXOQBTGFCSKE-PBHICJAKSA-N 1 2 330.432 2.096 20 30 EEEDLO C=CCC1(C(=O)N2C[C@H]3C[N@@H+](Cc4cnon4)C[C@@]3(C)C2)CCC1 ZINC001101356451 1245708262 /nfs/dbraw/zinc/70/82/62/1245708262.db2.gz WLXXOQBTGFCSKE-PBHICJAKSA-N 1 2 330.432 2.096 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001053076323 1245833061 /nfs/dbraw/zinc/83/30/61/1245833061.db2.gz XZHCHMSLBSKEFP-JKSUJKDBSA-N 1 2 346.475 2.086 20 30 EEEDLO C[C@@H](CC(=O)N1CCC(C(C)(C)CNCC#N)CC1)n1cc[nH+]c1 ZINC001101579254 1245985192 /nfs/dbraw/zinc/98/51/92/1245985192.db2.gz ABBSOWRNWHNTMV-HNNXBMFYSA-N 1 2 331.464 2.212 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC2(C[NH+](C[C@H](F)CC)C2)n2ccnc21 ZINC001101640164 1246071160 /nfs/dbraw/zinc/07/11/60/1246071160.db2.gz YGNNSOBEVVGJPE-KGLIPLIRSA-N 1 2 334.439 2.415 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)Oc1cccc(F)c1)CCO2 ZINC001053265947 1246113680 /nfs/dbraw/zinc/11/36/80/1246113680.db2.gz NWSLGNWNSCYRSQ-HNNXBMFYSA-N 1 2 348.418 2.082 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1nccc3ccsc31)CCO2 ZINC001053296133 1246154334 /nfs/dbraw/zinc/15/43/34/1246154334.db2.gz CPLVYORZPRMSPD-UHFFFAOYSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H](C)c1c(C)noc1C)CCO2 ZINC001053315016 1246176216 /nfs/dbraw/zinc/17/62/16/1246176216.db2.gz ZKQFIWQAXRXTDT-CQSZACIVSA-N 1 2 347.459 2.274 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccc3c1O[C@@H](C)C3)CCO2 ZINC001053343636 1246213064 /nfs/dbraw/zinc/21/30/64/1246213064.db2.gz VXQBSJUEXVWVJC-HNNXBMFYSA-N 1 2 342.439 2.113 20 30 EEEDLO CN(CCNc1cccc(F)c1C#N)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001101847330 1246225292 /nfs/dbraw/zinc/22/52/92/1246225292.db2.gz BXZZXVMHCLROHY-CYBMUJFWSA-N 1 2 341.390 2.027 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[C@@H]4C[C@@H]4CC3)C2)CC1 ZINC001052055343 1246426853 /nfs/dbraw/zinc/42/68/53/1246426853.db2.gz LGEFQBDCDNKEMP-HAGHYFMRSA-N 1 2 343.515 2.055 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(Cl)c(C)c3)C2)CC1 ZINC001052077752 1246453441 /nfs/dbraw/zinc/45/34/41/1246453441.db2.gz VRCSQGMELSAOAB-QGZVFWFLSA-N 1 2 345.874 2.114 20 30 EEEDLO CC(C)(C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)C1CCCCC1 ZINC001052092762 1246470852 /nfs/dbraw/zinc/47/08/52/1246470852.db2.gz DCVXHAVUVXPUSN-GOSISDBHSA-N 1 2 346.519 2.335 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccc(C)s3)C2)CC1 ZINC001052122480 1246507594 /nfs/dbraw/zinc/50/75/94/1246507594.db2.gz UMXMJLJONGTYRO-QGZVFWFLSA-N 1 2 347.528 2.394 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(C)noc1C1CC1)O2 ZINC001053629642 1246558532 /nfs/dbraw/zinc/55/85/32/1246558532.db2.gz SYVOGPOXNJENAE-OAHLLOKOSA-N 1 2 345.443 2.400 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn([C@H](C)CC)c1C)O2 ZINC001053686942 1246648986 /nfs/dbraw/zinc/64/89/86/1246648986.db2.gz DCEZEDQPXHJQGJ-ZBFHGGJFSA-N 1 2 346.475 2.312 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1sc(C3CC3)nc1C)CO2 ZINC001053797775 1246800875 /nfs/dbraw/zinc/80/08/75/1246800875.db2.gz IHJZCXVTTBIVHJ-AWEZNQCLSA-N 1 2 347.484 2.478 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3oc(C)nc3c1)CO2 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1303723456 /nfs/dbraw/zinc/72/34/56/1303723456.db2.gz YNJZRTPVVLUJGK-QAPCUYQASA-N 1 2 337.427 2.065 20 30 EEEDLO N#CC1(NC(=O)[C@H]2CCC[C@]23CC[N@H+](Cc2csnn2)C3)CCC1 ZINC001277573874 1303926073 /nfs/dbraw/zinc/92/60/73/1303926073.db2.gz BIWRMWVHKQOHTO-GDBMZVCRSA-N 1 2 345.472 2.093 20 30 EEEDLO N#CC1(NC(=O)[C@H]2CCC[C@]23CC[N@@H+](Cc2csnn2)C3)CCC1 ZINC001277573874 1303926076 /nfs/dbraw/zinc/92/60/76/1303926076.db2.gz BIWRMWVHKQOHTO-GDBMZVCRSA-N 1 2 345.472 2.093 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001112005554 1304149701 /nfs/dbraw/zinc/14/97/01/1304149701.db2.gz RHALIEAHMHFQNE-APWZRJJASA-N 1 2 346.475 2.489 20 30 EEEDLO COc1ccnc(O[C@H]2CCC[N@H+](Cc3cc(C#N)ccc3O)C2)n1 ZINC001232680724 1304214811 /nfs/dbraw/zinc/21/48/11/1304214811.db2.gz GTKCNRXQWHGDJK-HNNXBMFYSA-N 1 2 340.383 2.106 20 30 EEEDLO COc1ccnc(O[C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3O)C2)n1 ZINC001232680724 1304214817 /nfs/dbraw/zinc/21/48/17/1304214817.db2.gz GTKCNRXQWHGDJK-HNNXBMFYSA-N 1 2 340.383 2.106 20 30 EEEDLO CC(C)C#CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nccs2)C1 ZINC001112100047 1304236415 /nfs/dbraw/zinc/23/64/15/1304236415.db2.gz ZLCIGPPECYGVAY-VXGBXAGGSA-N 1 2 345.390 2.281 20 30 EEEDLO C=CCC1(C(=O)N(C)CCCN(C)c2cc[nH+]c(C)n2)CCOCC1 ZINC001112109677 1304248865 /nfs/dbraw/zinc/24/88/65/1304248865.db2.gz CHDFCAHVAHLYNQ-UHFFFAOYSA-N 1 2 346.475 2.443 20 30 EEEDLO COc1cnc(O[C@@H]2CC[N@H+](Cc3cc(F)ccc3C#N)C2)nc1 ZINC001232894273 1304285727 /nfs/dbraw/zinc/28/57/27/1304285727.db2.gz RAIWVXHYKZIAGM-OAHLLOKOSA-N 1 2 328.347 2.149 20 30 EEEDLO COc1cnc(O[C@@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)nc1 ZINC001232894273 1304285728 /nfs/dbraw/zinc/28/57/28/1304285728.db2.gz RAIWVXHYKZIAGM-OAHLLOKOSA-N 1 2 328.347 2.149 20 30 EEEDLO C=CCCC[N@H+]1Cc2ccnn2CC[C@@H]1C(=O)N[C@H](C)c1ncc[nH]1 ZINC001277779078 1304396326 /nfs/dbraw/zinc/39/63/26/1304396326.db2.gz BZKQWKMGTOZKOC-GDBMZVCRSA-N 1 2 342.447 2.024 20 30 EEEDLO C=CCCC[N@@H+]1Cc2ccnn2CC[C@@H]1C(=O)N[C@H](C)c1ncc[nH]1 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CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cccc2nsnc21 ZINC001234160862 1304774637 /nfs/dbraw/zinc/77/46/37/1304774637.db2.gz JXCZFQGWNMJHSO-HNNXBMFYSA-N 1 2 342.468 2.383 20 30 EEEDLO COCC1(CC(=O)N(C)C[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1 ZINC001234233982 1304812710 /nfs/dbraw/zinc/81/27/10/1304812710.db2.gz GVTWWEOOZMTBLG-IBGZPJMESA-N 1 2 340.467 2.388 20 30 EEEDLO COCC1(CC(=O)N(C)C[C@@H]2CC[N@H+]2CC#Cc2ccccc2)CC1 ZINC001234233982 1304812717 /nfs/dbraw/zinc/81/27/17/1304812717.db2.gz GVTWWEOOZMTBLG-IBGZPJMESA-N 1 2 340.467 2.388 20 30 EEEDLO C=CCCC(=O)NCC[C@@H](Nc1[nH+]cnc2c1cnn2C)C(C)C ZINC001115301321 1304915794 /nfs/dbraw/zinc/91/57/94/1304915794.db2.gz UDFDLXHFUFFHFN-CQSZACIVSA-N 1 2 330.436 2.272 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N)C(=O)CCc1ccncn1 ZINC001234626046 1304990943 /nfs/dbraw/zinc/99/09/43/1304990943.db2.gz PVZNOERMNZYHBO-IBGZPJMESA-N 1 2 349.438 2.014 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccccc1C#N)C(=O)CCc1ccncn1 ZINC001234626046 1304990944 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/nfs/dbraw/zinc/80/36/98/1331803698.db2.gz YNDOFSWELCLNDS-CQSZACIVSA-N 1 2 349.438 2.004 20 30 EEEDLO C=C[C@H](COC)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC001321242509 1333052795 /nfs/dbraw/zinc/05/27/95/1333052795.db2.gz BPVYZVVZBZHELT-GOEBONIOSA-N 1 2 333.432 2.402 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001338840971 1336917739 /nfs/dbraw/zinc/91/77/39/1336917739.db2.gz FTEASOYSSDTYRV-YVSFHVDLSA-N 1 2 345.491 2.482 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001338840971 1336917740 /nfs/dbraw/zinc/91/77/40/1336917740.db2.gz FTEASOYSSDTYRV-YVSFHVDLSA-N 1 2 345.491 2.482 20 30 EEEDLO C=C(C)Cn1c([C@@H](C)C(C)C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001355873433 1338760980 /nfs/dbraw/zinc/76/09/80/1338760980.db2.gz NRAQNYLNZNKQFM-INIZCTEOSA-N 1 2 335.496 2.382 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@H](C(C)C)C1 ZINC001355928441 1338769584 /nfs/dbraw/zinc/76/95/84/1338769584.db2.gz CHGSZMYCNRJXHN-HOTGVXAUSA-N 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1350578103 /nfs/dbraw/zinc/57/81/03/1350578103.db2.gz OMXAQBHIZDVBEE-UHFFFAOYSA-N 1 2 349.442 2.335 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)Cc2c(C)cc(-c3nn[nH]n3)cc2C)n1 ZINC001602732998 1350578104 /nfs/dbraw/zinc/57/81/04/1350578104.db2.gz OMXAQBHIZDVBEE-UHFFFAOYSA-N 1 2 349.442 2.335 20 30 EEEDLO CC#CCCCC(=O)N1CC[C@H]([NH2+]Cc2nc(CCCC)no2)C1 ZINC001661338951 1354628751 /nfs/dbraw/zinc/62/87/51/1354628751.db2.gz IGBUBGAUITXDPM-HNNXBMFYSA-N 1 2 332.448 2.296 20 30 EEEDLO CCc1cc(C(=O)N2CC[C@H]([N@@H+](C)CC#Cc3ccccc3)C2)n[nH]1 ZINC001188946721 1368332543 /nfs/dbraw/zinc/33/25/43/1368332543.db2.gz BBVPLSFXXGBAFT-SFHVURJKSA-N 1 2 336.439 2.170 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C(C)(C)C)on2)C1 ZINC001190094734 1368390131 /nfs/dbraw/zinc/39/01/31/1368390131.db2.gz MSYKKPKKEWWQDF-GDBMZVCRSA-N 1 2 347.459 2.043 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C(C)(C)C)on2)C1 ZINC001190094734 1368390134 /nfs/dbraw/zinc/39/01/34/1368390134.db2.gz MSYKKPKKEWWQDF-GDBMZVCRSA-N 1 2 347.459 2.043 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001095311325 1369147162 /nfs/dbraw/zinc/14/71/62/1369147162.db2.gz PJJWLOJKQSGBTG-AWEZNQCLSA-N 1 2 332.452 2.005 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H]2Cc3ccccc3C[N@H+]2CC#CC)c1 ZINC001054051337 1370061660 /nfs/dbraw/zinc/06/16/60/1370061660.db2.gz AEIJGTVEBFUYJQ-OAQYLSRUSA-N 1 2 343.430 2.243 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H]2Cc3ccccc3C[N@@H+]2CC#CC)c1 ZINC001054051337 1370061662 /nfs/dbraw/zinc/06/16/62/1370061662.db2.gz AEIJGTVEBFUYJQ-OAQYLSRUSA-N 1 2 343.430 2.243 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC(CC)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001069514138 1370165615 /nfs/dbraw/zinc/16/56/15/1370165615.db2.gz GJKQDIXCOZNTRI-UHFFFAOYSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001070932708 1370370936 /nfs/dbraw/zinc/37/09/36/1370370936.db2.gz CNXZKOLWJPGZBE-MRXNPFEDSA-N 1 2 346.475 2.373 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001072226033 1370649162 /nfs/dbraw/zinc/64/91/62/1370649162.db2.gz KKXMGJHOIZUOEA-GDBMZVCRSA-N 1 2 346.475 2.246 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COc3ccccc3O1)C2 ZINC001098323750 1370980518 /nfs/dbraw/zinc/98/05/18/1370980518.db2.gz JZNKBEUXJDBHMY-VWPFQQQWSA-N 1 2 348.830 2.300 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COc3ccccc3O1)C2 ZINC001098323750 1370980523 /nfs/dbraw/zinc/98/05/23/1370980523.db2.gz JZNKBEUXJDBHMY-VWPFQQQWSA-N 1 2 348.830 2.300 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(C)n1CCC)C2 ZINC001111648977 1371199738 /nfs/dbraw/zinc/19/97/38/1371199738.db2.gz XQAFIMACNIWGAL-LPHOPBHVSA-N 1 2 345.491 2.433 20 30 EEEDLO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nnc(C)n1CCC)C2 ZINC001111648977 1371199743 /nfs/dbraw/zinc/19/97/43/1371199743.db2.gz XQAFIMACNIWGAL-LPHOPBHVSA-N 1 2 345.491 2.433 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1cn(CC)nn1)C2 ZINC001111848787 1371270836 /nfs/dbraw/zinc/27/08/36/1371270836.db2.gz SYUYXFFWGKARQI-GJYPPUQNSA-N 1 2 345.491 2.371 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1cn(CC)nn1)C2 ZINC001111848787 1371270843 /nfs/dbraw/zinc/27/08/43/1371270843.db2.gz SYUYXFFWGKARQI-GJYPPUQNSA-N 1 2 345.491 2.371 20 30 EEEDLO C=C(C)CCC(=O)N1CCCO[C@H](C[NH2+][C@H](C)c2csnn2)C1 ZINC001200628608 1373069058 /nfs/dbraw/zinc/06/90/58/1373069058.db2.gz YGADQEMEJYCAAR-ZIAGYGMSSA-N 1 2 338.477 2.163 20 30 EEEDLO CCc1oncc1C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001372131326 1375794012 /nfs/dbraw/zinc/79/40/12/1375794012.db2.gz SAXWUYNJRRPKAO-UHFFFAOYSA-N 1 2 330.363 2.110 20 30 EEEDLO CCc1oncc1C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001372131326 1375794015 /nfs/dbraw/zinc/79/40/15/1375794015.db2.gz SAXWUYNJRRPKAO-UHFFFAOYSA-N 1 2 330.363 2.110 20 30 EEEDLO C[N@H+](CCNC(=O)c1ccncc1Cl)Cc1ccccc1C#N ZINC001377219892 1379047935 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Cc1cccc(NC(=O)[C@@H](C)[N@@H+](CCNC(=O)[C@@H](C)C#N)C2CC2)c1 ZINC001377516140 1379322443 /nfs/dbraw/zinc/32/24/43/1379322443.db2.gz FCFGRYOTEDGLBF-LSDHHAIUSA-N 1 2 342.443 2.062 20 30 EEEDLO Cc1cccc(NC(=O)[C@@H](C)[N@H+](CCNC(=O)[C@@H](C)C#N)C2CC2)c1 ZINC001377516140 1379322451 /nfs/dbraw/zinc/32/24/51/1379322451.db2.gz FCFGRYOTEDGLBF-LSDHHAIUSA-N 1 2 342.443 2.062 20 30 EEEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)[C@H]2CC23CCCC3)CC1 ZINC001377734270 1379481260 /nfs/dbraw/zinc/48/12/60/1379481260.db2.gz UQTOLYCUUGPIMF-MRXNPFEDSA-N 1 2 339.911 2.395 20 30 EEEDLO CO[C@@H](C)CCC(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001379038729 1380414781 /nfs/dbraw/zinc/41/47/81/1380414781.db2.gz DWPPETYRCYVFNW-AWEZNQCLSA-N 1 2 335.423 2.403 20 30 EEEDLO CO[C@@H](C)CCC(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001379038729 1380414784 /nfs/dbraw/zinc/41/47/84/1380414784.db2.gz DWPPETYRCYVFNW-AWEZNQCLSA-N 1 2 335.423 2.403 20 30 EEEDLO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(C)(NC(=O)[C@@H](C)C#N)CC1 ZINC001380296940 1381160568 /nfs/dbraw/zinc/16/05/68/1381160568.db2.gz DSINTVWDIYKSLI-NWDGAFQWSA-N 1 2 331.420 2.138 20 30 EEEDLO Cc1nnc([C@H](C)[NH2+]CCN(Cc2ccccc2)C(=O)[C@@H](C)C#N)o1 ZINC001380703045 1381348266 /nfs/dbraw/zinc/34/82/66/1381348266.db2.gz BTHYJELLOKYOIZ-KBPBESRZSA-N 1 2 341.415 2.217 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OC)nc2)C1 ZINC001752317155 1406274825 /nfs/dbraw/zinc/27/48/25/1406274825.db2.gz AGZVOJKJINDMAD-RDJZCZTQSA-N 1 2 347.459 2.152 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(OC)nc2)C1 ZINC001752317155 1406274835 /nfs/dbraw/zinc/27/48/35/1406274835.db2.gz AGZVOJKJINDMAD-RDJZCZTQSA-N 1 2 347.459 2.152 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@H](C[N@H+](C)Cc2nncn2C)C1 ZINC001752516374 1406316268 /nfs/dbraw/zinc/31/62/68/1406316268.db2.gz DODKHHZBYFHZSP-HOTGVXAUSA-N 1 2 333.480 2.088 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2nncn2C)C1 ZINC001752516374 1406316280 /nfs/dbraw/zinc/31/62/80/1406316280.db2.gz 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CC[C@H](C(=O)NCc1ccc(OC)c(C#N)c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000918737312 769359316 /nfs/dbraw/zinc/35/93/16/769359316.db2.gz ICKDBFPVUBSBSV-IAGOWNOFSA-N 1 2 345.443 2.072 20 30 EEEDLO CC[C@H](C(=O)NCc1ccc(OC)c(C#N)c1)[N@H+]1CCO[C@H](CC)C1 ZINC000918737312 769359325 /nfs/dbraw/zinc/35/93/25/769359325.db2.gz ICKDBFPVUBSBSV-IAGOWNOFSA-N 1 2 345.443 2.072 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@H](Nc1nc(N(C)C)nc(C)[nH+]1)C(C)C ZINC001105258315 769491466 /nfs/dbraw/zinc/49/14/66/769491466.db2.gz HHHKMVVRODJTHT-CABCVRRESA-N 1 2 348.495 2.401 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)c1ccc[nH]1 ZINC001031544331 769516778 /nfs/dbraw/zinc/51/67/78/769516778.db2.gz FVFGQRGBJKRIOC-UHFFFAOYSA-N 1 2 327.815 2.381 20 30 EEEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](CC)CCCCCC)C2)nn1 ZINC001105299070 769630088 /nfs/dbraw/zinc/63/00/88/769630088.db2.gz AGUYLCUPNMNBQY-INIZCTEOSA-N 1 2 345.491 2.381 20 30 EEEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)c3cscn3)C2)c1 ZINC001031574445 769782137 /nfs/dbraw/zinc/78/21/37/769782137.db2.gz QXZNSASWOPQTDB-UHFFFAOYSA-N 1 2 330.388 2.016 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ccc(F)nc3)C2)cc1F ZINC001031582206 769842315 /nfs/dbraw/zinc/84/23/15/769842315.db2.gz RBKYVDSOQDXVRO-UHFFFAOYSA-N 1 2 342.349 2.093 20 30 EEEDLO C[C@@H](C[C@H](C)Nc1cnc(C#N)cn1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089495106 769862630 /nfs/dbraw/zinc/86/26/30/769862630.db2.gz DSMPIHODIXGUSK-RYUDHWBXSA-N 1 2 349.398 2.234 20 30 EEEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000920996371 770924129 /nfs/dbraw/zinc/92/41/29/770924129.db2.gz DBAMPQSJXOOKFL-YOEHRIQHSA-N 1 2 330.432 2.029 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)c(C)s1 ZINC001027831238 770942930 /nfs/dbraw/zinc/94/29/30/770942930.db2.gz OMMDLRYEJPBLMB-AWEZNQCLSA-N 1 2 343.456 2.354 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)c(C)s1 ZINC001027831238 770942934 /nfs/dbraw/zinc/94/29/34/770942934.db2.gz OMMDLRYEJPBLMB-AWEZNQCLSA-N 1 2 343.456 2.354 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)C1CCC(O)CC1 ZINC001027853507 773579455 /nfs/dbraw/zinc/57/94/55/773579455.db2.gz HNYDFOMMFMEKCL-MOKVOYLWSA-N 1 2 345.281 2.027 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)C1CCC(O)CC1 ZINC001027853507 773579459 /nfs/dbraw/zinc/57/94/59/773579459.db2.gz HNYDFOMMFMEKCL-MOKVOYLWSA-N 1 2 345.281 2.027 20 30 EEEDLO CC[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031722017 773652331 /nfs/dbraw/zinc/65/23/31/773652331.db2.gz MDJGBFOLBULAHX-OALUTQOASA-N 1 2 341.455 2.311 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cnc2[nH]c(C)nc2c1 ZINC001027924309 774466569 /nfs/dbraw/zinc/46/65/69/774466569.db2.gz GZDFLFWZYYRXHX-ZDUSSCGKSA-N 1 2 333.823 2.213 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc2[nH]c(C)nc2c1 ZINC001027924309 774466571 /nfs/dbraw/zinc/46/65/71/774466571.db2.gz GZDFLFWZYYRXHX-ZDUSSCGKSA-N 1 2 333.823 2.213 20 30 EEEDLO C=C[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C)n2)C1)c1ccccc1 ZINC000980458088 774653148 /nfs/dbraw/zinc/65/31/48/774653148.db2.gz QUSQXCMQGYVLOY-OALUTQOASA-N 1 2 338.455 2.423 20 30 EEEDLO C=C[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C)n2)C1)c1ccccc1 ZINC000980458088 774653150 /nfs/dbraw/zinc/65/31/50/774653150.db2.gz QUSQXCMQGYVLOY-OALUTQOASA-N 1 2 338.455 2.423 20 30 EEEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)c3ccsn3)C2)ccc1F ZINC001031760083 775069334 /nfs/dbraw/zinc/06/93/34/775069334.db2.gz SONPKDVOZXQXJT-UHFFFAOYSA-N 1 2 330.388 2.016 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C(F)F)ncn1 ZINC001027967544 775334756 /nfs/dbraw/zinc/33/47/56/775334756.db2.gz BTUVHGKAPMSWAX-SNVBAGLBSA-N 1 2 330.766 2.361 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C(F)F)ncn1 ZINC001027967544 775334768 /nfs/dbraw/zinc/33/47/68/775334768.db2.gz BTUVHGKAPMSWAX-SNVBAGLBSA-N 1 2 330.766 2.361 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C(F)F)ncn1 ZINC001027967541 775334833 /nfs/dbraw/zinc/33/48/33/775334833.db2.gz BTUVHGKAPMSWAX-JTQLQIEISA-N 1 2 330.766 2.361 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C(F)F)ncn1 ZINC001027967541 775334844 /nfs/dbraw/zinc/33/48/44/775334844.db2.gz BTUVHGKAPMSWAX-JTQLQIEISA-N 1 2 330.766 2.361 20 30 EEEDLO CCO[C@H]1C[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000980749203 775438495 /nfs/dbraw/zinc/43/84/95/775438495.db2.gz QTBKKAIOLCHHNF-WMZOPIPTSA-N 1 2 345.418 2.157 20 30 EEEDLO CCO[C@H]1C[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000980749203 775438501 /nfs/dbraw/zinc/43/85/01/775438501.db2.gz QTBKKAIOLCHHNF-WMZOPIPTSA-N 1 2 345.418 2.157 20 30 EEEDLO N#Cc1c(F)cccc1N1CCCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001063203877 790364963 /nfs/dbraw/zinc/36/49/63/790364963.db2.gz SUUFXYNBYVWYAA-CYBMUJFWSA-N 1 2 341.390 2.138 20 30 EEEDLO O=C(c1cscn1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000980825637 775744236 /nfs/dbraw/zinc/74/42/36/775744236.db2.gz JZUGFSZNBFKKMR-UHFFFAOYSA-N 1 2 325.437 2.343 20 30 EEEDLO O=C(c1cscn1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000980825637 775744238 /nfs/dbraw/zinc/74/42/38/775744238.db2.gz JZUGFSZNBFKKMR-UHFFFAOYSA-N 1 2 325.437 2.343 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H]2CNC(=O)c2[nH]nc3c2CCC3)c1 ZINC001027996021 775813101 /nfs/dbraw/zinc/81/31/01/775813101.db2.gz ZLCGIAOKOMLZAC-MRXNPFEDSA-N 1 2 349.438 2.164 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2[nH]nc3c2CCC3)c1 ZINC001027996021 775813113 /nfs/dbraw/zinc/81/31/13/775813113.db2.gz ZLCGIAOKOMLZAC-MRXNPFEDSA-N 1 2 349.438 2.164 20 30 EEEDLO Cc1cc(C)nc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)c1 ZINC001031801156 775917292 /nfs/dbraw/zinc/91/72/92/775917292.db2.gz SSSUVAJYLFAJSZ-UHFFFAOYSA-N 1 2 340.452 2.493 20 30 EEEDLO Cc1ccnc(C(=O)N2CCC[N@H+](Cc3ccccc3C#N)CC2)n1 ZINC000981081049 776456176 /nfs/dbraw/zinc/45/61/76/776456176.db2.gz DUPYKBWXQZAEHO-UHFFFAOYSA-N 1 2 335.411 2.005 20 30 EEEDLO Cc1ccnc(C(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)n1 ZINC000981081049 776456179 /nfs/dbraw/zinc/45/61/79/776456179.db2.gz DUPYKBWXQZAEHO-UHFFFAOYSA-N 1 2 335.411 2.005 20 30 EEEDLO C#CCO[C@H](C)C(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001091369027 790463883 /nfs/dbraw/zinc/46/38/83/790463883.db2.gz IZOACEYOUITDOP-OAGGEKHMSA-N 1 2 344.459 2.253 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2cc(C)n(C)n2)cc1 ZINC001028065449 776943453 /nfs/dbraw/zinc/94/34/53/776943453.db2.gz ASXHKYUUAPMGFS-LJQANCHMSA-N 1 2 336.439 2.104 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cc(C)n(C)n2)cc1 ZINC001028065449 776943458 /nfs/dbraw/zinc/94/34/58/776943458.db2.gz ASXHKYUUAPMGFS-LJQANCHMSA-N 1 2 336.439 2.104 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001058884971 777482276 /nfs/dbraw/zinc/48/22/76/777482276.db2.gz VRTQEMGESMEPSI-LBPRGKRZSA-N 1 2 327.363 2.066 20 30 EEEDLO C[C@@H]1C[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3F)CC2)CO1 ZINC000981490275 777510270 /nfs/dbraw/zinc/51/02/70/777510270.db2.gz JXWKEZQJTHVKQQ-PBHICJAKSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1C[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3F)CC2)CO1 ZINC000981490275 777510279 /nfs/dbraw/zinc/51/02/79/777510279.db2.gz JXWKEZQJTHVKQQ-PBHICJAKSA-N 1 2 345.418 2.157 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)c2nncn2C)CC1 ZINC001028116199 778038459 /nfs/dbraw/zinc/03/84/59/778038459.db2.gz DKYHLBKYYZLOCP-ZBFHGGJFSA-N 1 2 331.464 2.203 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)c2nncn2C)CC1 ZINC001028116199 778038465 /nfs/dbraw/zinc/03/84/65/778038465.db2.gz DKYHLBKYYZLOCP-ZBFHGGJFSA-N 1 2 331.464 2.203 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](CC(=O)NC2CCCCC2)CC1 ZINC000981751909 778138219 /nfs/dbraw/zinc/13/82/19/778138219.db2.gz ZRUNYEYRRQFERC-UHFFFAOYSA-N 1 2 335.492 2.182 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)NC2CCCCC2)CC1 ZINC000981751909 778138222 /nfs/dbraw/zinc/13/82/22/778138222.db2.gz ZRUNYEYRRQFERC-UHFFFAOYSA-N 1 2 335.492 2.182 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CCCC3(CN(C(=O)C#CC4CC4)C3)C2)n1 ZINC000981758625 778167820 /nfs/dbraw/zinc/16/78/20/778167820.db2.gz XGTLFSHOYNZQOQ-UHFFFAOYSA-N 1 2 340.471 2.302 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2CCCC3(CN(C(=O)C#CC4CC4)C3)C2)n1 ZINC000981758625 778167827 /nfs/dbraw/zinc/16/78/27/778167827.db2.gz XGTLFSHOYNZQOQ-UHFFFAOYSA-N 1 2 340.471 2.302 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2cccn2)n1 ZINC001028131509 778307719 /nfs/dbraw/zinc/30/77/19/778307719.db2.gz KPNRHZPGPNCLOD-CQSZACIVSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2cccn2)n1 ZINC001028131509 778307727 /nfs/dbraw/zinc/30/77/27/778307727.db2.gz KPNRHZPGPNCLOD-CQSZACIVSA-N 1 2 345.834 2.214 20 30 EEEDLO Cc1c[nH]c(C(=O)N2CCC[N@H+](Cc3ccc(F)c(C#N)c3)CC2)n1 ZINC000982139640 779161961 /nfs/dbraw/zinc/16/19/61/779161961.db2.gz XAUPXZHAJQIMQP-UHFFFAOYSA-N 1 2 341.390 2.077 20 30 EEEDLO Cc1c[nH]c(C(=O)N2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)CC2)n1 ZINC000982139640 779161963 /nfs/dbraw/zinc/16/19/63/779161963.db2.gz XAUPXZHAJQIMQP-UHFFFAOYSA-N 1 2 341.390 2.077 20 30 EEEDLO COC(=O)N1CC(C)([NH2+]Cc2cc(C#N)ccc2Br)C1 ZINC000893972266 780354661 /nfs/dbraw/zinc/35/46/61/780354661.db2.gz IQWRPBXBGFZWKA-UHFFFAOYSA-N 1 2 338.205 2.251 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H](CCNC(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001060372602 790827120 /nfs/dbraw/zinc/82/71/20/790827120.db2.gz SRMYYZWQICEAFU-OAHLLOKOSA-N 1 2 344.459 2.053 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H](CCNC(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001060372602 790827134 /nfs/dbraw/zinc/82/71/34/790827134.db2.gz SRMYYZWQICEAFU-OAHLLOKOSA-N 1 2 344.459 2.053 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cocn2)C1 ZINC001087453969 780855780 /nfs/dbraw/zinc/85/57/80/780855780.db2.gz UXDLAEBBBCOIRF-IAGOWNOFSA-N 1 2 341.386 2.425 20 30 EEEDLO CC#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2cocn2)C1 ZINC001087453969 780855789 /nfs/dbraw/zinc/85/57/89/780855789.db2.gz UXDLAEBBBCOIRF-IAGOWNOFSA-N 1 2 341.386 2.425 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC001087454760 780859234 /nfs/dbraw/zinc/85/92/34/780859234.db2.gz HMYODIXBEKUGFU-IAGOWNOFSA-N 1 2 340.402 2.078 20 30 EEEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC001087454760 780859242 /nfs/dbraw/zinc/85/92/42/780859242.db2.gz HMYODIXBEKUGFU-IAGOWNOFSA-N 1 2 340.402 2.078 20 30 EEEDLO CC(C)n1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)c1 ZINC001032540456 790835320 /nfs/dbraw/zinc/83/53/20/790835320.db2.gz GGKDPFYFYVEAJZ-ROUUACIJSA-N 1 2 349.438 2.435 20 30 EEEDLO CC(C)n1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)c1 ZINC001032540456 790835329 /nfs/dbraw/zinc/83/53/29/790835329.db2.gz GGKDPFYFYVEAJZ-ROUUACIJSA-N 1 2 349.438 2.435 20 30 EEEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)CCC(C)C ZINC001211838502 781054176 /nfs/dbraw/zinc/05/41/76/781054176.db2.gz XLUVIBDCAVYFCU-RTBURBONSA-N 1 2 346.446 2.429 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)CCC(C)C ZINC001211838502 781054184 /nfs/dbraw/zinc/05/41/84/781054184.db2.gz XLUVIBDCAVYFCU-RTBURBONSA-N 1 2 346.446 2.429 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H](C)CNc2cc(C)[nH+]c(C3CC3)n2)c1 ZINC001108102801 783466890 /nfs/dbraw/zinc/46/68/90/783466890.db2.gz VYFLKSFDBJILPY-CYBMUJFWSA-N 1 2 335.411 2.269 20 30 EEEDLO C[C@H](C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1)NC(=O)c1[nH]ncc1F ZINC001135407587 783718783 /nfs/dbraw/zinc/71/87/83/783718783.db2.gz KUNIUEHGJCJPKH-QWHCGFSZSA-N 1 2 346.381 2.226 20 30 EEEDLO C#CCCOc1ccc(C(=O)NCC[NH2+]Cc2nc(C)c(C)o2)cc1 ZINC001127008826 784343056 /nfs/dbraw/zinc/34/30/56/784343056.db2.gz ZNJBLOWWQXCZKC-UHFFFAOYSA-N 1 2 341.411 2.213 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc3c([nH]2)c(F)ccc3C)C1 ZINC001035425034 784468652 /nfs/dbraw/zinc/46/86/52/784468652.db2.gz SSUWEKIGZQPMGM-ZDUSSCGKSA-N 1 2 331.391 2.232 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc3c([nH]2)c(F)ccc3C)C1 ZINC001035425034 784468658 /nfs/dbraw/zinc/46/86/58/784468658.db2.gz SSUWEKIGZQPMGM-ZDUSSCGKSA-N 1 2 331.391 2.232 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2sc(C)nc2CC(C)C)C1 ZINC001035435714 784522919 /nfs/dbraw/zinc/52/29/19/784522919.db2.gz MIABKULSIJMBJN-AWEZNQCLSA-N 1 2 337.489 2.267 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2sc(C)nc2CC(C)C)C1 ZINC001035435714 784522926 /nfs/dbraw/zinc/52/29/26/784522926.db2.gz MIABKULSIJMBJN-AWEZNQCLSA-N 1 2 337.489 2.267 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3cc(C)ccc3n2)C1 ZINC001035439422 784528271 /nfs/dbraw/zinc/52/82/71/784528271.db2.gz YHXSVVZPZCLEOR-INIZCTEOSA-N 1 2 325.412 2.160 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc3cc(C)ccc3n2)C1 ZINC001035439422 784528277 /nfs/dbraw/zinc/52/82/77/784528277.db2.gz YHXSVVZPZCLEOR-INIZCTEOSA-N 1 2 325.412 2.160 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3ccccc3)nc2)C1 ZINC001035557399 784730229 /nfs/dbraw/zinc/73/02/29/784730229.db2.gz XQEHRRXQQOUHAR-SFHVURJKSA-N 1 2 337.423 2.365 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(-c3ccccc3)nc2)C1 ZINC001035557399 784730238 /nfs/dbraw/zinc/73/02/38/784730238.db2.gz XQEHRRXQQOUHAR-SFHVURJKSA-N 1 2 337.423 2.365 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc3ncccn3n1)CC2 ZINC001035819055 785172392 /nfs/dbraw/zinc/17/23/92/785172392.db2.gz IWJFDYWIHYJWLC-UHFFFAOYSA-N 1 2 345.834 2.020 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCCOC1)CC2 ZINC001035853731 785290509 /nfs/dbraw/zinc/29/05/09/785290509.db2.gz ADFZEMHWVGSFCO-OAHLLOKOSA-N 1 2 326.868 2.480 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001078995609 785931778 /nfs/dbraw/zinc/93/17/78/785931778.db2.gz VCNFBDYEXGCEKA-IAGOWNOFSA-N 1 2 346.475 2.325 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCC(OC2C[NH+](CCOC)C2)CC1 ZINC001105709261 786377897 /nfs/dbraw/zinc/37/78/97/786377897.db2.gz CCLCYYJDCFWERN-UHFFFAOYSA-N 1 2 336.476 2.093 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCC3CCCCC3)nn2)C1 ZINC001107233282 786548814 /nfs/dbraw/zinc/54/88/14/786548814.db2.gz IEXUUJBXPLULTB-UHFFFAOYSA-N 1 2 331.464 2.298 20 30 EEEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](CC)CCCCC)nn2)C1 ZINC001107238274 786589480 /nfs/dbraw/zinc/58/94/80/786589480.db2.gz PIZHGHCWYGBUTB-INIZCTEOSA-N 1 2 345.491 2.381 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000821331466 786687100 /nfs/dbraw/zinc/68/71/00/786687100.db2.gz UKJWAPOIMFRWSG-KBPBESRZSA-N 1 2 349.406 2.068 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000821331466 786687106 /nfs/dbraw/zinc/68/71/06/786687106.db2.gz UKJWAPOIMFRWSG-KBPBESRZSA-N 1 2 349.406 2.068 20 30 EEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000822451380 787211596 /nfs/dbraw/zinc/21/15/96/787211596.db2.gz LBTCGUZLQXDHFD-KFWWJZLASA-N 1 2 346.431 2.208 20 30 EEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000822451380 787211597 /nfs/dbraw/zinc/21/15/97/787211597.db2.gz LBTCGUZLQXDHFD-KFWWJZLASA-N 1 2 346.431 2.208 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC/C=C\CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107529257 787506722 /nfs/dbraw/zinc/50/67/22/787506722.db2.gz KPJRVYSCTWHVHN-MSNYOWOLSA-N 1 2 342.443 2.338 20 30 EEEDLO C[C@H](CC(=O)N(C)CCCNc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001109637301 805813833 /nfs/dbraw/zinc/81/38/33/805813833.db2.gz NYSRZZIKALCOSH-CQSZACIVSA-N 1 2 326.404 2.061 20 30 EEEDLO Cc1cc(N2C[C@@H](C)[C@H](NC(=O)CSCC#N)C2)nc(C(C)C)[nH+]1 ZINC001090677384 787712520 /nfs/dbraw/zinc/71/25/20/787712520.db2.gz HQFNDWGWXPQYHM-TZMCWYRMSA-N 1 2 347.488 2.106 20 30 EEEDLO C=CC[N@@H+](CC(=O)OCC)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823408649 787740712 /nfs/dbraw/zinc/74/07/12/787740712.db2.gz PAZNHEGLOYCZMC-KSSFIOAISA-N 1 2 338.448 2.295 20 30 EEEDLO C=CC[N@H+](CC(=O)OCC)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823408649 787740718 /nfs/dbraw/zinc/74/07/18/787740718.db2.gz PAZNHEGLOYCZMC-KSSFIOAISA-N 1 2 338.448 2.295 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3cnccc3c2)[C@H](O)C1 ZINC001090710338 787882764 /nfs/dbraw/zinc/88/27/64/787882764.db2.gz TZQYQGOICKMRDG-IAGOWNOFSA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3cnccc3c2)[C@H](O)C1 ZINC001090710338 787882774 /nfs/dbraw/zinc/88/27/74/787882774.db2.gz TZQYQGOICKMRDG-IAGOWNOFSA-N 1 2 345.830 2.152 20 30 EEEDLO Cc1cc(NCCCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)c(C#N)cn1 ZINC001109661285 805850815 /nfs/dbraw/zinc/85/08/15/805850815.db2.gz INUBHMCFXOJXLL-UHFFFAOYSA-N 1 2 348.410 2.134 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3ccccc3n2C)C1 ZINC001108167489 788543298 /nfs/dbraw/zinc/54/32/98/788543298.db2.gz NRBMXOIBWDRBOE-LJQANCHMSA-N 1 2 327.428 2.185 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3ccccc3n2C)C1 ZINC001108167489 788543306 /nfs/dbraw/zinc/54/33/06/788543306.db2.gz NRBMXOIBWDRBOE-LJQANCHMSA-N 1 2 327.428 2.185 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](CC(N)=O)c2ccc(Cl)cc2)CC1 ZINC001143784887 788859110 /nfs/dbraw/zinc/85/91/10/788859110.db2.gz ODLDBGZWTZHAIU-OAHLLOKOSA-N 1 2 349.862 2.019 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)OCc1ccncc1)C2 ZINC001109738685 805915751 /nfs/dbraw/zinc/91/57/51/805915751.db2.gz YWWSZAWMVPGLQI-SIXLDLHFSA-N 1 2 349.862 2.461 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)OCc1ccncc1)C2 ZINC001109738685 805915760 /nfs/dbraw/zinc/91/57/60/805915760.db2.gz YWWSZAWMVPGLQI-SIXLDLHFSA-N 1 2 349.862 2.461 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060795235 788961828 /nfs/dbraw/zinc/96/18/28/788961828.db2.gz IHEWSWXXLJQLDU-SHTZXODSSA-N 1 2 346.475 2.346 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C2CC[NH+]([C@H](C)c3ncccn3)CC2)c1 ZINC001005967613 789060402 /nfs/dbraw/zinc/06/04/02/789060402.db2.gz CIYJFSZJINISJM-OAHLLOKOSA-N 1 2 349.438 2.151 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001060258036 789133768 /nfs/dbraw/zinc/13/37/68/789133768.db2.gz WWOXVSDGCCFUPX-CQSZACIVSA-N 1 2 341.390 2.387 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001060805144 789167955 /nfs/dbraw/zinc/16/79/55/789167955.db2.gz PFNJRVRGAYQKPR-WKILWMFISA-N 1 2 346.475 2.490 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001060805144 789167961 /nfs/dbraw/zinc/16/79/61/789167961.db2.gz PFNJRVRGAYQKPR-WKILWMFISA-N 1 2 346.475 2.490 20 30 EEEDLO Cc1ccccc1Cc1noc(CO[NH+]=C(N)Cc2cccnc2)n1 ZINC000156686455 789186532 /nfs/dbraw/zinc/18/65/32/789186532.db2.gz HBWHYJGLWAEILD-UHFFFAOYSA-N 1 2 337.383 2.395 20 30 EEEDLO C=CCCOCC(=O)N[C@@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001077774943 789235850 /nfs/dbraw/zinc/23/58/50/789235850.db2.gz XTSNSCPYUWKSQT-AWEZNQCLSA-N 1 2 347.459 2.224 20 30 EEEDLO C#CCCCC(=O)NC1(C2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001127130897 789597458 /nfs/dbraw/zinc/59/74/58/789597458.db2.gz QKRKFFXOTZUADU-UHFFFAOYSA-N 1 2 326.444 2.454 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCC(C#N)CC1 ZINC000057876249 789710012 /nfs/dbraw/zinc/71/00/12/789710012.db2.gz ZIZXEPPSPXQSPT-HNNXBMFYSA-N 1 2 342.443 2.086 20 30 EEEDLO CCCn1nccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032426099 789712426 /nfs/dbraw/zinc/71/24/26/789712426.db2.gz WYTCYKPNUKZYPR-ROUUACIJSA-N 1 2 349.438 2.264 20 30 EEEDLO CCCn1nccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032426099 789712430 /nfs/dbraw/zinc/71/24/30/789712430.db2.gz WYTCYKPNUKZYPR-ROUUACIJSA-N 1 2 349.438 2.264 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001006127146 789717795 /nfs/dbraw/zinc/71/77/95/789717795.db2.gz LOFBPGXFIQJSTH-WMZOPIPTSA-N 1 2 347.459 2.387 20 30 EEEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)cs1)C2 ZINC001109803065 806015050 /nfs/dbraw/zinc/01/50/50/806015050.db2.gz WSQPNFCHWXEECS-RDBSUJKOSA-N 1 2 338.860 2.386 20 30 EEEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)cs1)C2 ZINC001109803065 806015061 /nfs/dbraw/zinc/01/50/61/806015061.db2.gz WSQPNFCHWXEECS-RDBSUJKOSA-N 1 2 338.860 2.386 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@H](C)CC(C)C)C2)nn1 ZINC001098766634 791592921 /nfs/dbraw/zinc/59/29/21/791592921.db2.gz DTEUYKDEMWFLDB-AEFFLSMTSA-N 1 2 345.491 2.237 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088955093 791725568 /nfs/dbraw/zinc/72/55/68/791725568.db2.gz QECUAWNRPQCQMY-PBHICJAKSA-N 1 2 341.386 2.366 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088955093 791725570 /nfs/dbraw/zinc/72/55/70/791725570.db2.gz QECUAWNRPQCQMY-PBHICJAKSA-N 1 2 341.386 2.366 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(CC)o1)C2 ZINC001147138472 791727564 /nfs/dbraw/zinc/72/75/64/791727564.db2.gz BNXITHWYIVTURF-OAHLLOKOSA-N 1 2 347.459 2.253 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(CC)o1)C2 ZINC001147138472 791727570 /nfs/dbraw/zinc/72/75/70/791727570.db2.gz BNXITHWYIVTURF-OAHLLOKOSA-N 1 2 347.459 2.253 20 30 EEEDLO C=CCOCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C)o1)C2 ZINC001147304452 791774251 /nfs/dbraw/zinc/77/42/51/791774251.db2.gz SWVXXDBFHZHWNR-UHFFFAOYSA-N 1 2 333.432 2.000 20 30 EEEDLO C=CCOCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C)o1)C2 ZINC001147304452 791774257 /nfs/dbraw/zinc/77/42/57/791774257.db2.gz SWVXXDBFHZHWNR-UHFFFAOYSA-N 1 2 333.432 2.000 20 30 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C=C(C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC001182940621 801417724 /nfs/dbraw/zinc/41/77/24/801417724.db2.gz WILXHSKORGUJNO-MRXNPFEDSA-N 1 2 339.443 2.314 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC1(Nc2ncnc3c2C[N@H+](C)CC3)CC1 ZINC001110327551 801494584 /nfs/dbraw/zinc/49/45/84/801494584.db2.gz YYMMLWQWDPRGPU-GOSISDBHSA-N 1 2 343.475 2.128 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC1(Nc2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC001110327551 801494587 /nfs/dbraw/zinc/49/45/87/801494587.db2.gz YYMMLWQWDPRGPU-GOSISDBHSA-N 1 2 343.475 2.128 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1)C(=O)c1ncccc1F ZINC001085893666 801572794 /nfs/dbraw/zinc/57/27/94/801572794.db2.gz HNBKKAJNKHGXJG-INIZCTEOSA-N 1 2 338.386 2.439 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)c1ncccc1F ZINC001085893666 801572799 /nfs/dbraw/zinc/57/27/99/801572799.db2.gz HNBKKAJNKHGXJG-INIZCTEOSA-N 1 2 338.386 2.439 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2c(C)noc2C)cn1 ZINC001085932998 801690150 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C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)COC(C)C)C[C@@H]1C ZINC001447617532 1102979928 /nfs/dbraw/zinc/97/99/28/1102979928.db2.gz PEFBZIBMPUHETA-QWHCGFSZSA-N 1 2 333.270 2.289 20 30 EEEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC001459338089 1110149660 /nfs/dbraw/zinc/14/96/60/1110149660.db2.gz VNKKJEZXXKMGBH-SJORKVTESA-N 1 2 340.427 2.095 20 30 EEEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC001459338089 1110149663 /nfs/dbraw/zinc/14/96/63/1110149663.db2.gz VNKKJEZXXKMGBH-SJORKVTESA-N 1 2 340.427 2.095 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)[C@@H](C)OCC)C2)C1 ZINC001506860662 1114926952 /nfs/dbraw/zinc/92/69/52/1114926952.db2.gz XWYHXXDSJPSDMB-CYBMUJFWSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)OCC)C2)C1 ZINC001506860662 1114926954 /nfs/dbraw/zinc/92/69/54/1114926954.db2.gz XWYHXXDSJPSDMB-CYBMUJFWSA-N 1 2 345.281 2.244 20 30 EEEDLO CSc1ccccc1NC(=O)C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000052658850 214138720 /nfs/dbraw/zinc/13/87/20/214138720.db2.gz PICMDDQEXCXYDF-CYBMUJFWSA-N 1 2 348.472 2.039 20 30 EEEDLO CSc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000052658850 214138723 /nfs/dbraw/zinc/13/87/23/214138723.db2.gz PICMDDQEXCXYDF-CYBMUJFWSA-N 1 2 348.472 2.039 20 30 EEEDLO N#Cc1cc(F)c(NC[C@]2([NH+]3CCOCC3)CCSC2)c(F)c1 ZINC000068938298 215346708 /nfs/dbraw/zinc/34/67/08/215346708.db2.gz ZXUSMYORFZZHLN-MRXNPFEDSA-N 1 2 339.411 2.456 20 30 EEEDLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCN(CC#N)CC1 ZINC000092936454 237042458 /nfs/dbraw/zinc/04/24/58/237042458.db2.gz DXBVRUJFBRNENL-UHFFFAOYSA-N 1 2 327.407 2.269 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1nc(C2CC2)cs1 ZINC000115632886 237182494 /nfs/dbraw/zinc/18/24/94/237182494.db2.gz XTKJIANBCBLEHI-UHFFFAOYSA-N 1 2 349.460 2.100 20 30 EEEDLO COc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)nc1 ZINC000452058531 243339284 /nfs/dbraw/zinc/33/92/84/243339284.db2.gz MZIXQONCPFCBDR-UHFFFAOYSA-N 1 2 338.411 2.293 20 30 EEEDLO N#CCc1cccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000455902975 244106813 /nfs/dbraw/zinc/10/68/13/244106813.db2.gz HPZOQOXHYCGABF-QGZVFWFLSA-N 1 2 328.416 2.081 20 30 EEEDLO Cc1c(C#N)cccc1NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000459455273 245128682 /nfs/dbraw/zinc/12/86/82/245128682.db2.gz CQVKBMYNZQXBKP-OAHLLOKOSA-N 1 2 341.415 2.482 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(OC)c(F)c2)n1 ZINC000491782614 246149014 /nfs/dbraw/zinc/14/90/14/246149014.db2.gz NUXDVVVGFYATPX-UHFFFAOYSA-N 1 2 331.391 2.313 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(OC)c(F)c2)n1 ZINC000491782614 246149016 /nfs/dbraw/zinc/14/90/16/246149016.db2.gz NUXDVVVGFYATPX-UHFFFAOYSA-N 1 2 331.391 2.313 20 30 EEEDLO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000266531504 248348768 /nfs/dbraw/zinc/34/87/68/248348768.db2.gz FVEVYOULPWEQHL-RYUDHWBXSA-N 1 2 330.388 2.087 20 30 EEEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)CNc1ccc(C#N)cc1)C2 ZINC000112666482 220369536 /nfs/dbraw/zinc/36/95/36/220369536.db2.gz ZYRODWGGYZKSTO-UHFFFAOYSA-N 1 2 337.427 2.412 20 30 EEEDLO C#CCn1ccc(CN(CCOC)Cc2c[nH+]c3cccc(C)n23)n1 ZINC000491765108 533218531 /nfs/dbraw/zinc/21/85/31/533218531.db2.gz BJFARUGONILKEK-UHFFFAOYSA-N 1 2 337.427 2.121 20 30 EEEDLO C[C@H]1C[NH+]=C(N2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)S1 ZINC000274253194 256367989 /nfs/dbraw/zinc/36/79/89/256367989.db2.gz KQRWRJKSXBUDSP-NSHDSACASA-N 1 2 331.401 2.080 20 30 EEEDLO Cn1ncc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1C#N ZINC000356563349 141017660 /nfs/dbraw/zinc/01/76/60/141017660.db2.gz OEPKKMOEWAJPAP-UHFFFAOYSA-N 1 2 344.378 2.459 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCOC[C@H]3C3CC3)C2=O)cc1 ZINC000248716624 160358276 /nfs/dbraw/zinc/35/82/76/160358276.db2.gz FCVMYHMPMODVCQ-MSOLQXFVSA-N 1 2 325.412 2.164 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCOC[C@H]3C3CC3)C2=O)cc1 ZINC000248716624 160358279 /nfs/dbraw/zinc/35/82/79/160358279.db2.gz FCVMYHMPMODVCQ-MSOLQXFVSA-N 1 2 325.412 2.164 20 30 EEEDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000077247542 159098113 /nfs/dbraw/zinc/09/81/13/159098113.db2.gz PYVOOOCZMDVTAN-HNNXBMFYSA-N 1 2 332.400 2.363 20 30 EEEDLO CCOC(=O)[C@@H]1CCCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000077247542 159098115 /nfs/dbraw/zinc/09/81/15/159098115.db2.gz PYVOOOCZMDVTAN-HNNXBMFYSA-N 1 2 332.400 2.363 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)ccc1F ZINC000119971806 159383343 /nfs/dbraw/zinc/38/33/43/159383343.db2.gz LTBZTTOSFJGELG-INIZCTEOSA-N 1 2 333.432 2.237 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@H]2C(=O)N2CCSCC2)ccc1F ZINC000119971806 159383345 /nfs/dbraw/zinc/38/33/45/159383345.db2.gz LTBZTTOSFJGELG-INIZCTEOSA-N 1 2 333.432 2.237 20 30 EEEDLO N#Cc1ccc(OCc2ccc(C(=O)NCCc3[nH]cc[nH+]3)o2)cc1 ZINC000345159525 161277748 /nfs/dbraw/zinc/27/77/48/161277748.db2.gz HPIPOZAFBCAIQD-UHFFFAOYSA-N 1 2 336.351 2.426 20 30 EEEDLO C[C@@H](C(=O)NCC(=O)c1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000356146200 163349277 /nfs/dbraw/zinc/34/92/77/163349277.db2.gz BRFKOAWBDVUSRK-HNNXBMFYSA-N 1 2 347.418 2.304 20 30 EEEDLO C[C@@H](C(=O)NCC(=O)c1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000356146200 163349279 /nfs/dbraw/zinc/34/92/79/163349279.db2.gz BRFKOAWBDVUSRK-HNNXBMFYSA-N 1 2 347.418 2.304 20 30 EEEDLO N#Cc1cccc(CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000375633743 167171735 /nfs/dbraw/zinc/17/17/35/167171735.db2.gz CRDMHQDTXDFGSQ-UHFFFAOYSA-N 1 2 349.438 2.464 20 30 EEEDLO CC[N@H+](CCCNS(=O)(=O)c1cncc(C#N)c1)c1ccccc1 ZINC000289642713 266125002 /nfs/dbraw/zinc/12/50/02/266125002.db2.gz DESMCNJWPJTHDL-UHFFFAOYSA-N 1 2 344.440 2.148 20 30 EEEDLO CC[N@@H+](CCCNS(=O)(=O)c1cncc(C#N)c1)c1ccccc1 ZINC000289642713 266125003 /nfs/dbraw/zinc/12/50/03/266125003.db2.gz DESMCNJWPJTHDL-UHFFFAOYSA-N 1 2 344.440 2.148 20 30 EEEDLO CC[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2OC)C[C@@H](C)[S@@]1=O ZINC000285817081 266378486 /nfs/dbraw/zinc/37/84/86/266378486.db2.gz GPHMPCXXCVIRGP-BZHBSQSBSA-N 1 2 336.457 2.177 20 30 EEEDLO CC[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2OC)C[C@@H](C)[S@@]1=O ZINC000285817081 266378491 /nfs/dbraw/zinc/37/84/91/266378491.db2.gz GPHMPCXXCVIRGP-BZHBSQSBSA-N 1 2 336.457 2.177 20 30 EEEDLO CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@@H](O)C(F)(F)F ZINC000494255653 267073070 /nfs/dbraw/zinc/07/30/70/267073070.db2.gz CFRQBSMCTWKJAS-GFCCVEGCSA-N 1 2 340.305 2.353 20 30 EEEDLO CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@@H](O)C(F)(F)F ZINC000494255653 267073072 /nfs/dbraw/zinc/07/30/72/267073072.db2.gz CFRQBSMCTWKJAS-GFCCVEGCSA-N 1 2 340.305 2.353 20 30 EEEDLO C[C@H](O)c1ncc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000289041631 267195480 /nfs/dbraw/zinc/19/54/80/267195480.db2.gz HTDKTNNVLBVZCV-AWEZNQCLSA-N 1 2 342.468 2.386 20 30 EEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)c1ccsc1 ZINC000435439556 267286781 /nfs/dbraw/zinc/28/67/81/267286781.db2.gz SZFWRSKQMODWOE-LBPRGKRZSA-N 1 2 341.483 2.262 20 30 EEEDLO CNc1cc(N2CCC[C@@H]2CNc2ncc3c(c2C#N)CCC3)nc[nH+]1 ZINC000425224832 267353958 /nfs/dbraw/zinc/35/39/58/267353958.db2.gz LJCIPIQDLLKIBB-CQSZACIVSA-N 1 2 349.442 2.355 20 30 EEEDLO CNc1cc(N2CCC[C@@H]2CNc2ncc3c(c2C#N)CCC3)[nH+]cn1 ZINC000425224832 267353960 /nfs/dbraw/zinc/35/39/60/267353960.db2.gz LJCIPIQDLLKIBB-CQSZACIVSA-N 1 2 349.442 2.355 20 30 EEEDLO Cc1ccc(C#N)cc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287202252 267386459 /nfs/dbraw/zinc/38/64/59/267386459.db2.gz ZHPSDWSOXSLINS-HOCLYGCPSA-N 1 2 328.416 2.194 20 30 EEEDLO Cc1ccc([C@@H]2COCC[N@@H+]2C[C@H](O)COc2ccccc2C#N)o1 ZINC000528385073 268043817 /nfs/dbraw/zinc/04/38/17/268043817.db2.gz VVZYDJWNTKKOKD-IRXDYDNUSA-N 1 2 342.395 2.273 20 30 EEEDLO Cc1ccc([C@@H]2COCC[N@H+]2C[C@H](O)COc2ccccc2C#N)o1 ZINC000528385073 268043818 /nfs/dbraw/zinc/04/38/18/268043818.db2.gz VVZYDJWNTKKOKD-IRXDYDNUSA-N 1 2 342.395 2.273 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)OCc3ccccc3)C2)nc1 ZINC000292246698 268181819 /nfs/dbraw/zinc/18/18/19/268181819.db2.gz QPYWQZCHHDODFE-QGZVFWFLSA-N 1 2 337.379 2.150 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)OCc3ccccc3)C2)nc1 ZINC000292246698 268181821 /nfs/dbraw/zinc/18/18/21/268181821.db2.gz QPYWQZCHHDODFE-QGZVFWFLSA-N 1 2 337.379 2.150 20 30 EEEDLO COC1(C(F)(F)F)CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000419341051 277463102 /nfs/dbraw/zinc/46/31/02/277463102.db2.gz ZUTFYRMSBKQMGF-UHFFFAOYSA-N 1 2 347.381 2.372 20 30 EEEDLO COC(=O)c1coc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000171038107 311399864 /nfs/dbraw/zinc/39/98/64/311399864.db2.gz PERWMSDWKKYEAM-UHFFFAOYSA-N 1 2 343.358 2.399 20 30 EEEDLO N#Cc1ccc2[nH+]cc(CN3CCn4c(nnc4C4CCCC4)C3)n2c1 ZINC000536666461 318007458 /nfs/dbraw/zinc/00/74/58/318007458.db2.gz JOHIJHPUPUPRFH-UHFFFAOYSA-N 1 2 347.426 2.471 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2ccc(C#N)s2)CC1(C)C ZINC000574031824 319988648 /nfs/dbraw/zinc/98/86/48/319988648.db2.gz IFRLVKDPDVNIAZ-LBPRGKRZSA-N 1 2 336.442 2.125 20 30 EEEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000574769487 320056252 /nfs/dbraw/zinc/05/62/52/320056252.db2.gz YWCYQEIHYUPXKK-AWEZNQCLSA-N 1 2 326.400 2.135 20 30 EEEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000574769487 320056254 /nfs/dbraw/zinc/05/62/54/320056254.db2.gz YWCYQEIHYUPXKK-AWEZNQCLSA-N 1 2 326.400 2.135 20 30 EEEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2cc3ccccc3o2)c1=O ZINC000578027115 320289728 /nfs/dbraw/zinc/28/97/28/320289728.db2.gz OIKISCNFFQXEAH-UHFFFAOYSA-N 1 2 349.390 2.347 20 30 EEEDLO N#Cc1c[nH]nc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000601641040 450134359 /nfs/dbraw/zinc/13/43/59/450134359.db2.gz MFDQQFYGGIHGKZ-CQSZACIVSA-N 1 2 327.413 2.010 20 30 EEEDLO CC(C)[C@@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)c1[nH]cc[nH+]1 ZINC000296079975 465074623 /nfs/dbraw/zinc/07/46/23/465074623.db2.gz PXNDNKPESLDKLS-CQSZACIVSA-N 1 2 336.392 2.237 20 30 EEEDLO CCc1nnc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)[nH]1 ZINC000296177554 465105648 /nfs/dbraw/zinc/10/56/48/465105648.db2.gz XPNFHRBQAFFHCN-UHFFFAOYSA-N 1 2 329.404 2.348 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 ZINC000328936295 465174049 /nfs/dbraw/zinc/17/40/49/465174049.db2.gz FUYKUOOKQUDLAA-UWVGGRQHSA-N 1 2 333.392 2.095 20 30 EEEDLO CC1CCN(c2ccc(CNC(=O)[C@H]3COCCN3C)c[nH+]2)CC1 ZINC000328972318 465188919 /nfs/dbraw/zinc/18/89/19/465188919.db2.gz VJLGFAFRCPQLTO-MRXNPFEDSA-N 1 2 332.448 2.105 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296679356 465229262 /nfs/dbraw/zinc/22/92/62/465229262.db2.gz BFKKWPKORYYBOG-ILXRZTDVSA-N 1 2 332.448 2.494 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1=O ZINC000337231776 465257688 /nfs/dbraw/zinc/25/76/88/465257688.db2.gz UXHQBYGTFPLXLZ-RDJZCZTQSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1=O ZINC000337231776 465257689 /nfs/dbraw/zinc/25/76/89/465257689.db2.gz UXHQBYGTFPLXLZ-RDJZCZTQSA-N 1 2 329.444 2.349 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000341977660 465279878 /nfs/dbraw/zinc/27/98/78/465279878.db2.gz MMWIANGKXZGEJB-UHFFFAOYSA-N 1 2 345.487 2.324 20 30 EEEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000298035950 465280879 /nfs/dbraw/zinc/28/08/79/465280879.db2.gz GECRPFGTNOTVDR-SFHVURJKSA-N 1 2 340.402 2.190 20 30 EEEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000298035950 465280886 /nfs/dbraw/zinc/28/08/86/465280886.db2.gz GECRPFGTNOTVDR-SFHVURJKSA-N 1 2 340.402 2.190 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)C1=O ZINC000337285297 465285581 /nfs/dbraw/zinc/28/55/81/465285581.db2.gz ZSTOJJSJBHUEEG-HTWSVDAQSA-N 1 2 347.503 2.275 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)C1=O ZINC000337285297 465285584 /nfs/dbraw/zinc/28/55/84/465285584.db2.gz ZSTOJJSJBHUEEG-HTWSVDAQSA-N 1 2 347.503 2.275 20 30 EEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccnc3cc(F)cnc32)CC1 ZINC000329259022 465283122 /nfs/dbraw/zinc/28/31/22/465283122.db2.gz DMSNOXOHOPERNV-GFCCVEGCSA-N 1 2 343.406 2.398 20 30 EEEDLO O=C(NCc1cn2ccccc2[nH+]1)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000329328433 465301511 /nfs/dbraw/zinc/30/15/11/465301511.db2.gz XTLKNEVOUXPNPA-CQSZACIVSA-N 1 2 344.415 2.066 20 30 EEEDLO Cc1nc([C@@H]2CCCN2C(=O)NCCc2cn3c([nH+]2)CCCC3)no1 ZINC000329379833 465315780 /nfs/dbraw/zinc/31/57/80/465315780.db2.gz NDMKESJUNZNLJB-AWEZNQCLSA-N 1 2 344.419 2.204 20 30 EEEDLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCC(O[C@H]2CCOC2)CC1 ZINC000329537945 465365215 /nfs/dbraw/zinc/36/52/15/465365215.db2.gz VFEOFLWJSMXWNA-HNNXBMFYSA-N 1 2 330.388 2.150 20 30 EEEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@]3(C#N)CCSC3)cn2c1 ZINC000114684238 462671245 /nfs/dbraw/zinc/67/12/45/462671245.db2.gz DSABIOGZQGEBBA-INIZCTEOSA-N 1 2 346.481 2.391 20 30 EEEDLO Cn1ncc2c1nc[nH+]c2SCC(=O)Nc1sccc1C#N ZINC000011677959 462836851 /nfs/dbraw/zinc/83/68/51/462836851.db2.gz PHQKLFRSPHWRRE-UHFFFAOYSA-N 1 2 330.398 2.027 20 30 EEEDLO C=CCCS(=O)(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000119845572 462934722 /nfs/dbraw/zinc/93/47/22/462934722.db2.gz BPFKWNBGIURHAS-UHFFFAOYSA-N 1 2 344.234 2.092 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+]C1(C(=O)OC)CCCC1 ZINC000133906747 462983936 /nfs/dbraw/zinc/98/39/36/462983936.db2.gz RQLANSZJUFVHMP-MRXNPFEDSA-N 1 2 333.428 2.230 20 30 EEEDLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000134012353 462994524 /nfs/dbraw/zinc/99/45/24/462994524.db2.gz CMAVYOBGGJQFKI-UHFFFAOYSA-N 1 2 340.427 2.323 20 30 EEEDLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000134012353 462994527 /nfs/dbraw/zinc/99/45/27/462994527.db2.gz CMAVYOBGGJQFKI-UHFFFAOYSA-N 1 2 340.427 2.323 20 30 EEEDLO CN(C)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cn1 ZINC000120808633 463040078 /nfs/dbraw/zinc/04/00/78/463040078.db2.gz LXUMDEKSSYHSIQ-UHFFFAOYSA-N 1 2 339.418 2.481 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3nc(C)ns3)CC2)cc1C#N ZINC000135203595 463129221 /nfs/dbraw/zinc/12/92/21/463129221.db2.gz AFFWFFIYMAIYTI-UHFFFAOYSA-N 1 2 329.429 2.049 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3ccccn3)CC2)cc1 ZINC000053517678 463170715 /nfs/dbraw/zinc/17/07/15/463170715.db2.gz HWTYITQZCLMXBZ-UHFFFAOYSA-N 1 2 349.438 2.023 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121694710 463180369 /nfs/dbraw/zinc/18/03/69/463180369.db2.gz JUPUGJQAPOTGMT-VQIMIIECSA-N 1 2 329.444 2.242 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121694710 463180371 /nfs/dbraw/zinc/18/03/71/463180371.db2.gz JUPUGJQAPOTGMT-VQIMIIECSA-N 1 2 329.444 2.242 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000079337521 463207502 /nfs/dbraw/zinc/20/75/02/463207502.db2.gz ZMGZUZKFIZNWIY-IBGZPJMESA-N 1 2 346.471 2.467 20 30 EEEDLO C[C@@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)C(=O)N(C)C1CCCCC1 ZINC000158175267 463213084 /nfs/dbraw/zinc/21/30/84/463213084.db2.gz UOSXCFIZVNLBRA-CYBMUJFWSA-N 1 2 345.443 2.438 20 30 EEEDLO Cc1ncc(CO)c(/C=[NH+]/CCCN2CCc3ccccc32)c1O ZINC000028192635 463218292 /nfs/dbraw/zinc/21/82/92/463218292.db2.gz AWRODMWMXQLSDW-UDWIEESQSA-N 1 2 325.412 2.460 20 30 EEEDLO C[C@@H](NC(=O)c1cccc(SCC#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000079542070 463225371 /nfs/dbraw/zinc/22/53/71/463225371.db2.gz CFJUZPLGJHQFKU-KGLIPLIRSA-N 1 2 333.457 2.141 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000122934517 463302569 /nfs/dbraw/zinc/30/25/69/463302569.db2.gz ZSDKZPCKPWODJK-AWEZNQCLSA-N 1 2 334.851 2.223 20 30 EEEDLO COC(=O)c1cccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c1C#N ZINC000536375212 468350384 /nfs/dbraw/zinc/35/03/84/468350384.db2.gz PCZMCBYYSNYFFK-UHFFFAOYSA-N 1 2 342.317 2.234 20 30 EEEDLO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)nc3)c2C1 ZINC000160763762 463367857 /nfs/dbraw/zinc/36/78/57/463367857.db2.gz KWQGCDMRQIFQJJ-UHFFFAOYSA-N 1 2 342.424 2.478 20 30 EEEDLO CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)nc3)c2C1 ZINC000160763762 463367859 /nfs/dbraw/zinc/36/78/59/463367859.db2.gz KWQGCDMRQIFQJJ-UHFFFAOYSA-N 1 2 342.424 2.478 20 30 EEEDLO N#Cc1ccccc1OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000037107246 463441399 /nfs/dbraw/zinc/44/13/99/463441399.db2.gz ZVFOBFHGFLMUQM-UHFFFAOYSA-N 1 2 341.436 2.343 20 30 EEEDLO N#CCNC(=O)C[N@@H+](Cc1csc(Br)c1)C1CC1 ZINC000125260611 463523266 /nfs/dbraw/zinc/52/32/66/463523266.db2.gz SZFBZNRQHGMYBN-UHFFFAOYSA-N 1 2 328.235 2.115 20 30 EEEDLO N#CCNC(=O)C[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000125260611 463523268 /nfs/dbraw/zinc/52/32/68/463523268.db2.gz SZFBZNRQHGMYBN-UHFFFAOYSA-N 1 2 328.235 2.115 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1CCC(C#N)CC1 ZINC000057877870 463526336 /nfs/dbraw/zinc/52/63/36/463526336.db2.gz WGNVMRADGPEXTN-ZDUSSCGKSA-N 1 2 329.400 2.410 20 30 EEEDLO N#CC1CC[NH+](CC(=O)NCCc2ccc(OC(F)F)cc2)CC1 ZINC000057906492 463528310 /nfs/dbraw/zinc/52/83/10/463528310.db2.gz VNMXUBGPUROVPO-UHFFFAOYSA-N 1 2 337.370 2.182 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000083216943 463540936 /nfs/dbraw/zinc/54/09/36/463540936.db2.gz GZICZUJDAHHEKD-YJBOKZPZSA-N 1 2 338.411 2.070 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000083216943 463540941 /nfs/dbraw/zinc/54/09/41/463540941.db2.gz GZICZUJDAHHEKD-YJBOKZPZSA-N 1 2 338.411 2.070 20 30 EEEDLO C=CCc1cc(C(=O)N(C)Cc2[nH+]ccn2C)cc(OC)c1OC ZINC000073018393 463575045 /nfs/dbraw/zinc/57/50/45/463575045.db2.gz PXTGQBIWNGAJBI-UHFFFAOYSA-N 1 2 329.400 2.438 20 30 EEEDLO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000073746807 463652117 /nfs/dbraw/zinc/65/21/17/463652117.db2.gz LNCPHQZWZULZGH-MAUKXSAKSA-N 1 2 342.443 2.125 20 30 EEEDLO COc1cccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1OC ZINC000193853713 463749870 /nfs/dbraw/zinc/74/98/70/463749870.db2.gz LUOXPBRHJJEUSW-UHFFFAOYSA-N 1 2 338.411 2.293 20 30 EEEDLO C[C@H]([NH2+][C@@H](C)c1nc(Cc2ccccc2)no1)C(=O)N(C)CCC#N ZINC000185401467 463815945 /nfs/dbraw/zinc/81/59/45/463815945.db2.gz KIGYSFUICKPKPZ-KBPBESRZSA-N 1 2 341.415 2.072 20 30 EEEDLO C=CC[NH+](CC=C)CC(=O)N1CCN(Cc2ccc(OC)cc2)CC1 ZINC000172167042 464007037 /nfs/dbraw/zinc/00/70/37/464007037.db2.gz STEIEDMARNCXHB-UHFFFAOYSA-N 1 2 343.471 2.013 20 30 EEEDLO CCCN(CC#N)CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000172238046 464025849 /nfs/dbraw/zinc/02/58/49/464025849.db2.gz AVSJDRFGWVHBMB-UHFFFAOYSA-N 1 2 348.878 2.220 20 30 EEEDLO Cc1cnn([C@H]2CC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)c1 ZINC000289699908 464090083 /nfs/dbraw/zinc/09/00/83/464090083.db2.gz BSHWBDMDCOSLGW-GJZGRUSLSA-N 1 2 341.440 2.177 20 30 EEEDLO Cc1cnn([C@H]2CC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)c1 ZINC000289699908 464090089 /nfs/dbraw/zinc/09/00/89/464090089.db2.gz BSHWBDMDCOSLGW-GJZGRUSLSA-N 1 2 341.440 2.177 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000289786517 464095283 /nfs/dbraw/zinc/09/52/83/464095283.db2.gz MIOTYROZUNVZRI-UHFFFAOYSA-N 1 2 334.419 2.260 20 30 EEEDLO Cc1cccc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000290179323 464110511 /nfs/dbraw/zinc/11/05/11/464110511.db2.gz FFENWNCFLZVEKG-UHFFFAOYSA-N 1 2 329.425 2.167 20 30 EEEDLO Cc1cccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000290179323 464110517 /nfs/dbraw/zinc/11/05/17/464110517.db2.gz FFENWNCFLZVEKG-UHFFFAOYSA-N 1 2 329.425 2.167 20 30 EEEDLO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1nnc2ccccn21 ZINC000172613669 464117985 /nfs/dbraw/zinc/11/79/85/464117985.db2.gz CYOJWHFMTNXJHV-KGLIPLIRSA-N 1 2 340.431 2.111 20 30 EEEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H]1OCCc2ccccc21 ZINC000263682350 464152126 /nfs/dbraw/zinc/15/21/26/464152126.db2.gz IMSUYVIJPMYRDS-PKOBYXMFSA-N 1 2 327.428 2.041 20 30 EEEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H]1OCCc2ccccc21 ZINC000263682350 464152133 /nfs/dbraw/zinc/15/21/33/464152133.db2.gz IMSUYVIJPMYRDS-PKOBYXMFSA-N 1 2 327.428 2.041 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000280715906 464239017 /nfs/dbraw/zinc/23/90/17/464239017.db2.gz IIBDBXJYAZOISH-VKJFTORMSA-N 1 2 332.448 2.221 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000280715906 464239024 /nfs/dbraw/zinc/23/90/24/464239024.db2.gz IIBDBXJYAZOISH-VKJFTORMSA-N 1 2 332.448 2.221 20 30 EEEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCC(=O)N(C)Cc1ccc(F)cc1 ZINC000174225090 464379827 /nfs/dbraw/zinc/37/98/27/464379827.db2.gz ZJIJRLQDGDUNKN-CYBMUJFWSA-N 1 2 339.411 2.134 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000293471780 464406297 /nfs/dbraw/zinc/40/62/97/464406297.db2.gz XKPUDWWOJIUYGU-OALUTQOASA-N 1 2 338.407 2.308 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000293471780 464406304 /nfs/dbraw/zinc/40/63/04/464406304.db2.gz XKPUDWWOJIUYGU-OALUTQOASA-N 1 2 338.407 2.308 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2[C@H](C(=O)OC)CC[C@H]2c2ccccc2)C1=O ZINC000281390648 464436327 /nfs/dbraw/zinc/43/63/27/464436327.db2.gz PRPIYZNKWJDPFK-ULQDDVLXSA-N 1 2 328.412 2.152 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2[C@H](C(=O)OC)CC[C@H]2c2ccccc2)C1=O ZINC000281390648 464436333 /nfs/dbraw/zinc/43/63/33/464436333.db2.gz PRPIYZNKWJDPFK-ULQDDVLXSA-N 1 2 328.412 2.152 20 30 EEEDLO CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H](O)C(F)(F)F ZINC000189505099 464520707 /nfs/dbraw/zinc/52/07/07/464520707.db2.gz MQELYOCEJQHCSY-CQSZACIVSA-N 1 2 343.349 2.178 20 30 EEEDLO CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H](O)C(F)(F)F ZINC000189505099 464520711 /nfs/dbraw/zinc/52/07/11/464520711.db2.gz MQELYOCEJQHCSY-CQSZACIVSA-N 1 2 343.349 2.178 20 30 EEEDLO C#CCO[C@H](C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000294600658 464548972 /nfs/dbraw/zinc/54/89/72/464548972.db2.gz WJELSWWEOWIPMB-BZUAXINKSA-N 1 2 330.428 2.273 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246698633 464613038 /nfs/dbraw/zinc/61/30/38/464613038.db2.gz IJOIHUKWDRHISO-HZSPNIEDSA-N 1 2 325.453 2.007 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246698633 464613040 /nfs/dbraw/zinc/61/30/40/464613040.db2.gz IJOIHUKWDRHISO-HZSPNIEDSA-N 1 2 325.453 2.007 20 30 EEEDLO C=CCCCCCN(C)C(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000285645534 464641791 /nfs/dbraw/zinc/64/17/91/464641791.db2.gz VITMIGINVLAOKX-UHFFFAOYSA-N 1 2 342.443 2.464 20 30 EEEDLO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(F)c(F)c(O)c1F ZINC000273316968 464710764 /nfs/dbraw/zinc/71/07/64/464710764.db2.gz OMMOGTAGJLWNSN-UHFFFAOYSA-N 1 2 329.322 2.117 20 30 EEEDLO C[C@H]1CN(CC[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)CCO1 ZINC000282199467 464731551 /nfs/dbraw/zinc/73/15/51/464731551.db2.gz XBJXJPOKTQDEMS-HNNXBMFYSA-N 1 2 348.878 2.054 20 30 EEEDLO C#C[C@H](C)NC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000274735472 464754337 /nfs/dbraw/zinc/75/43/37/464754337.db2.gz BZBUVOALTRHBPN-HNNXBMFYSA-N 1 2 334.423 2.465 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC=C)CC1 ZINC000282306983 464771348 /nfs/dbraw/zinc/77/13/48/464771348.db2.gz PEDZLHSQPHRMJI-UHFFFAOYSA-N 1 2 346.438 2.368 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000275661635 464783542 /nfs/dbraw/zinc/78/35/42/464783542.db2.gz OXVKZISWPBJAQG-CHWSQXEVSA-N 1 2 333.461 2.131 20 30 EEEDLO COc1ccccc1S(=O)(=O)CCC[N@H+](CCC#N)CC1CC1 ZINC000184229103 464955642 /nfs/dbraw/zinc/95/56/42/464955642.db2.gz CHHAMKBBBCJYBK-UHFFFAOYSA-N 1 2 336.457 2.485 20 30 EEEDLO COc1ccccc1S(=O)(=O)CCC[N@@H+](CCC#N)CC1CC1 ZINC000184229103 464955651 /nfs/dbraw/zinc/95/56/51/464955651.db2.gz CHHAMKBBBCJYBK-UHFFFAOYSA-N 1 2 336.457 2.485 20 30 EEEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000286639888 464988314 /nfs/dbraw/zinc/98/83/14/464988314.db2.gz BGCWVOHSXMMYDR-LJQANCHMSA-N 1 2 345.443 2.158 20 30 EEEDLO CS(=O)(=O)CC1(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000347953749 465331597 /nfs/dbraw/zinc/33/15/97/465331597.db2.gz RHUQWJIKAMVAJR-UHFFFAOYSA-N 1 2 330.453 2.472 20 30 EEEDLO CS(=O)(=O)CC1(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000347953749 465331601 /nfs/dbraw/zinc/33/16/01/465331601.db2.gz RHUQWJIKAMVAJR-UHFFFAOYSA-N 1 2 330.453 2.472 20 30 EEEDLO O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000329434884 465332727 /nfs/dbraw/zinc/33/27/27/465332727.db2.gz JIUGKALAOBONIA-CVEARBPZSA-N 1 2 346.427 2.284 20 30 EEEDLO O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000329434884 465332732 /nfs/dbraw/zinc/33/27/32/465332732.db2.gz JIUGKALAOBONIA-CVEARBPZSA-N 1 2 346.427 2.284 20 30 EEEDLO C=CCCO[C@H](C)C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000342802710 465354080 /nfs/dbraw/zinc/35/40/80/465354080.db2.gz PHOWQYSVCQHWJD-CYBMUJFWSA-N 1 2 344.415 2.319 20 30 EEEDLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@H]1CCOC2(CCOCC2)C1 ZINC000329505712 465356396 /nfs/dbraw/zinc/35/63/96/465356396.db2.gz IRWKVDBMUZOEET-AWEZNQCLSA-N 1 2 330.388 2.198 20 30 EEEDLO CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000329870518 465459246 /nfs/dbraw/zinc/45/92/46/465459246.db2.gz BRKGXNUICIDRDI-LJQANCHMSA-N 1 2 348.443 2.422 20 30 EEEDLO CC(C)Oc1cccc(CNC(=O)C[N@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000329870518 465459250 /nfs/dbraw/zinc/45/92/50/465459250.db2.gz BRKGXNUICIDRDI-LJQANCHMSA-N 1 2 348.443 2.422 20 30 EEEDLO CC[C@@H]1CC[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)O1 ZINC000329965147 465489929 /nfs/dbraw/zinc/48/99/29/465489929.db2.gz UXKQXIYLBXVMJM-XQLPTFJDSA-N 1 2 338.427 2.247 20 30 EEEDLO N#CC[C@@H](CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000343348343 465508067 /nfs/dbraw/zinc/50/80/67/465508067.db2.gz LKLWHHGHLCAXSV-WMZOPIPTSA-N 1 2 327.428 2.053 20 30 EEEDLO N#CC[C@@H](CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000343348343 465508074 /nfs/dbraw/zinc/50/80/74/465508074.db2.gz LKLWHHGHLCAXSV-WMZOPIPTSA-N 1 2 327.428 2.053 20 30 EEEDLO C[N@H+](CC(=O)Nc1nnc(-c2ccco2)o1)Cc1ccc(C#N)cc1 ZINC000339982632 465657035 /nfs/dbraw/zinc/65/70/35/465657035.db2.gz VRGHASWJLCWYGD-UHFFFAOYSA-N 1 2 337.339 2.272 20 30 EEEDLO C[N@@H+](CC(=O)Nc1nnc(-c2ccco2)o1)Cc1ccc(C#N)cc1 ZINC000339982632 465657042 /nfs/dbraw/zinc/65/70/42/465657042.db2.gz VRGHASWJLCWYGD-UHFFFAOYSA-N 1 2 337.339 2.272 20 30 EEEDLO CN(C(=O)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)C1(C#N)CCCCC1 ZINC000330676161 465758644 /nfs/dbraw/zinc/75/86/44/465758644.db2.gz KCQFPPWAXFHJKM-TZMCWYRMSA-N 1 2 347.381 2.059 20 30 EEEDLO CN(C(=O)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)C1(C#N)CCCCC1 ZINC000330676161 465758646 /nfs/dbraw/zinc/75/86/46/465758646.db2.gz KCQFPPWAXFHJKM-TZMCWYRMSA-N 1 2 347.381 2.059 20 30 EEEDLO CC[C@H](C)n1nc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1C ZINC000330685301 465761780 /nfs/dbraw/zinc/76/17/80/465761780.db2.gz LELCUGAELHNUEG-ZDUSSCGKSA-N 1 2 337.468 2.599 20 30 EEEDLO CC[C@H](C)n1nc(NC(=O)NCC[N@H+]2CCOCC2(C)C)cc1C ZINC000330685301 465761784 /nfs/dbraw/zinc/76/17/84/465761784.db2.gz LELCUGAELHNUEG-ZDUSSCGKSA-N 1 2 337.468 2.599 20 30 EEEDLO COCC1(C#N)CCN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000344712752 465779838 /nfs/dbraw/zinc/77/98/38/465779838.db2.gz HBSIADOPFBPVEY-UHFFFAOYSA-N 1 2 327.388 2.427 20 30 EEEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)CC3(C#N)CCCCC3)C2)CC1 ZINC000597165749 468467096 /nfs/dbraw/zinc/46/70/96/468467096.db2.gz MXWRNHHPSMCUMI-QGZVFWFLSA-N 1 2 332.492 2.089 20 30 EEEDLO N#Cc1ccc(CC(=O)NCCNc2ccc3ccccc3[nH+]2)cc1 ZINC000346495949 466104436 /nfs/dbraw/zinc/10/44/36/466104436.db2.gz UJGLKKQQBRNVLD-UHFFFAOYSA-N 1 2 330.391 2.877 20 30 EEEDLO CC(C)[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC[N@@H+]1C ZINC000362896487 466106440 /nfs/dbraw/zinc/10/64/40/466106440.db2.gz PZMRDLHWKZABNC-CQSZACIVSA-N 1 2 341.864 2.172 20 30 EEEDLO CC(C)[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC[N@H+]1C ZINC000362896487 466106446 /nfs/dbraw/zinc/10/64/46/466106446.db2.gz PZMRDLHWKZABNC-CQSZACIVSA-N 1 2 341.864 2.172 20 30 EEEDLO Cc1ccc2c(c1)C[N@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C2 ZINC000361593253 466128860 /nfs/dbraw/zinc/12/88/60/466128860.db2.gz HBFCXOSRNZCCLW-IBGZPJMESA-N 1 2 340.471 2.003 20 30 EEEDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C2 ZINC000361593253 466128867 /nfs/dbraw/zinc/12/88/67/466128867.db2.gz HBFCXOSRNZCCLW-IBGZPJMESA-N 1 2 340.471 2.003 20 30 EEEDLO CN(C)c1ncc(C[NH+]2CCN(c3ccsc3C#N)CC2)s1 ZINC000597183985 468474252 /nfs/dbraw/zinc/47/42/52/468474252.db2.gz PKZHHPQWTQMOJK-UHFFFAOYSA-N 1 2 333.486 2.464 20 30 EEEDLO C[C@H](C(=O)N[C@H]1CCC[C@H]1C#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000331831938 466263106 /nfs/dbraw/zinc/26/31/06/466263106.db2.gz AUQWUQBMWXKCRM-VKJFTORMSA-N 1 2 344.434 2.145 20 30 EEEDLO CC(C)(C#N)CNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000354077360 466336547 /nfs/dbraw/zinc/33/65/47/466336547.db2.gz YYLZGEUACUHPCU-UHFFFAOYSA-N 1 2 325.416 2.475 20 30 EEEDLO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000305246490 466393082 /nfs/dbraw/zinc/39/30/82/466393082.db2.gz GOBIHARDNGZQLN-KRWDZBQOSA-N 1 2 328.391 2.376 20 30 EEEDLO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000338845220 466421577 /nfs/dbraw/zinc/42/15/77/466421577.db2.gz FIPXJIRRDZXACA-JKSUJKDBSA-N 1 2 333.480 2.279 20 30 EEEDLO CN(C)c1ccc(CNC(=O)NCc2cc(C#N)ccc2F)c[nH+]1 ZINC000340926506 466439896 /nfs/dbraw/zinc/43/98/96/466439896.db2.gz BINFNKNITCPPHG-UHFFFAOYSA-N 1 2 327.363 2.158 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC000363605944 466503604 /nfs/dbraw/zinc/50/36/04/466503604.db2.gz UXEWJQUOASDJRQ-LBPRGKRZSA-N 1 2 349.456 2.043 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(OCc2ccncc2)cc1 ZINC000581729760 468498837 /nfs/dbraw/zinc/49/88/37/468498837.db2.gz JLKNXODXSUHELJ-LJQANCHMSA-N 1 2 338.411 2.234 20 30 EEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000341162105 466627433 /nfs/dbraw/zinc/62/74/33/466627433.db2.gz IGJQTDFYVNZNTC-OAHLLOKOSA-N 1 2 341.415 2.001 20 30 EEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC1(C#N)CCC1 ZINC000416910428 466752188 /nfs/dbraw/zinc/75/21/88/466752188.db2.gz ABOYTVRCSOTKEV-UHFFFAOYSA-N 1 2 329.404 2.042 20 30 EEEDLO C=C(C)CS(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000373822847 466931333 /nfs/dbraw/zinc/93/13/33/466931333.db2.gz LZARUMNYLBCLLG-OAHLLOKOSA-N 1 2 335.429 2.014 20 30 EEEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000425389414 467092564 /nfs/dbraw/zinc/09/25/64/467092564.db2.gz URSUQZMVQNGMGJ-OAHLLOKOSA-N 1 2 344.459 2.371 20 30 EEEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000413810918 467316468 /nfs/dbraw/zinc/31/64/68/467316468.db2.gz ANROCSMWNWYHQN-SFHVURJKSA-N 1 2 331.460 2.147 20 30 EEEDLO Cc1ccc(-c2nc(SC[C@H](O)C[N@H+](C)CCC#N)n[nH]2)cc1 ZINC000414096646 467376373 /nfs/dbraw/zinc/37/63/73/467376373.db2.gz MBJSUPXAQATQSH-CQSZACIVSA-N 1 2 331.445 2.079 20 30 EEEDLO Cc1ccc(-c2nc(SC[C@H](O)C[N@@H+](C)CCC#N)n[nH]2)cc1 ZINC000414096646 467376378 /nfs/dbraw/zinc/37/63/78/467376378.db2.gz MBJSUPXAQATQSH-CQSZACIVSA-N 1 2 331.445 2.079 20 30 EEEDLO C[C@@H](C(=O)NCC1(CC#N)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000435957207 467506327 /nfs/dbraw/zinc/50/63/27/467506327.db2.gz IUVYARNIUKQRPT-HNNXBMFYSA-N 1 2 344.434 2.146 20 30 EEEDLO CC(C)C[N@H+](Cc1nnc2n1CCOC2)Cc1ccc(C#N)cc1 ZINC000436146859 467517241 /nfs/dbraw/zinc/51/72/41/467517241.db2.gz DUGVQXNGOFRSRN-UHFFFAOYSA-N 1 2 325.416 2.338 20 30 EEEDLO CC(C)C[N@@H+](Cc1nnc2n1CCOC2)Cc1ccc(C#N)cc1 ZINC000436146859 467517245 /nfs/dbraw/zinc/51/72/45/467517245.db2.gz DUGVQXNGOFRSRN-UHFFFAOYSA-N 1 2 325.416 2.338 20 30 EEEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@H]1C ZINC000408316515 467543565 /nfs/dbraw/zinc/54/35/65/467543565.db2.gz QXPGEPWVOKNAMJ-NWDGAFQWSA-N 1 2 341.864 2.315 20 30 EEEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@H]1C ZINC000408316515 467543567 /nfs/dbraw/zinc/54/35/67/467543567.db2.gz QXPGEPWVOKNAMJ-NWDGAFQWSA-N 1 2 341.864 2.315 20 30 EEEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437158031 467555798 /nfs/dbraw/zinc/55/57/98/467555798.db2.gz WMMXMKSDKLMNIG-QWRGUYRKSA-N 1 2 346.399 2.413 20 30 EEEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437158031 467555800 /nfs/dbraw/zinc/55/58/00/467555800.db2.gz WMMXMKSDKLMNIG-QWRGUYRKSA-N 1 2 346.399 2.413 20 30 EEEDLO CCc1cccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000449043136 467615115 /nfs/dbraw/zinc/61/51/15/467615115.db2.gz WJFWPYSZBJVURY-UHFFFAOYSA-N 1 2 334.423 2.474 20 30 EEEDLO C=C(C)[C@@H]([NH2+]Cc1cn(CC(=O)OC)nn1)c1ccc(F)c(F)c1 ZINC000449247358 467625763 /nfs/dbraw/zinc/62/57/63/467625763.db2.gz FPMUUZBSENPOCQ-MRXNPFEDSA-N 1 2 336.342 2.136 20 30 EEEDLO COc1cc(F)cc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)c1 ZINC000449274433 467627403 /nfs/dbraw/zinc/62/74/03/467627403.db2.gz DFZIQBMJUUOCBO-UHFFFAOYSA-N 1 2 343.406 2.070 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000526059161 467648237 /nfs/dbraw/zinc/64/82/37/467648237.db2.gz GDRLDUYMAGNFIE-GFCCVEGCSA-N 1 2 348.834 2.161 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000526059161 467648238 /nfs/dbraw/zinc/64/82/38/467648238.db2.gz GDRLDUYMAGNFIE-GFCCVEGCSA-N 1 2 348.834 2.161 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000449972450 467752909 /nfs/dbraw/zinc/75/29/09/467752909.db2.gz DWGCUWBSEGVDNM-SJORKVTESA-N 1 2 325.412 2.481 20 30 EEEDLO N#Cc1cccc(N2CC[NH+](Cc3cccc(O)c3)CC2)c1[N+](=O)[O-] ZINC000450305233 467822052 /nfs/dbraw/zinc/82/20/52/467822052.db2.gz VLFCLOGKZABSKH-UHFFFAOYSA-N 1 2 338.367 2.494 20 30 EEEDLO C[C@@H](Nc1ncc(Br)cc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000450311507 467823527 /nfs/dbraw/zinc/82/35/27/467823527.db2.gz HWAFDKKUJFEYIQ-MNOVXSKESA-N 1 2 339.237 2.237 20 30 EEEDLO N#CCC[C@@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000458595461 467864268 /nfs/dbraw/zinc/86/42/68/467864268.db2.gz XYSDWLKYGDPQMW-FGTMMUONSA-N 1 2 342.443 2.194 20 30 EEEDLO N#CCC[C@@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000458595461 467864270 /nfs/dbraw/zinc/86/42/70/467864270.db2.gz XYSDWLKYGDPQMW-FGTMMUONSA-N 1 2 342.443 2.194 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000493450785 467913057 /nfs/dbraw/zinc/91/30/57/467913057.db2.gz BKGGAFLUVXPCGO-KEDPEKRHSA-N 1 2 336.779 2.221 20 30 EEEDLO CCOc1ccccc1C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000471807143 467976089 /nfs/dbraw/zinc/97/60/89/467976089.db2.gz ANYNPHPTIUYFTG-UHFFFAOYSA-N 1 2 339.443 2.321 20 30 EEEDLO Cc1csc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1C#N ZINC000515667579 468001003 /nfs/dbraw/zinc/00/10/03/468001003.db2.gz NPKNIMKDVVNQKO-QWHCGFSZSA-N 1 2 334.445 2.255 20 30 EEEDLO CC(C)CN1C[C@H]2C[N@H+](CCOc3ccccc3C#N)CCN2C1=O ZINC000488788931 468104970 /nfs/dbraw/zinc/10/49/70/468104970.db2.gz SYONDKAGQOOGGR-QGZVFWFLSA-N 1 2 342.443 2.015 20 30 EEEDLO CC(C)CN1C[C@H]2C[N@@H+](CCOc3ccccc3C#N)CCN2C1=O ZINC000488788931 468104972 /nfs/dbraw/zinc/10/49/72/468104972.db2.gz SYONDKAGQOOGGR-QGZVFWFLSA-N 1 2 342.443 2.015 20 30 EEEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CC(C#N)C2)C[C@H](C)O1 ZINC000590106243 468214629 /nfs/dbraw/zinc/21/46/29/468214629.db2.gz JBEPKJOFSINKKL-KBPBESRZSA-N 1 2 328.416 2.283 20 30 EEEDLO CN(C)c1ccc(CNC(=O)/C=C\c2ccc(OCC#N)cc2)c[nH+]1 ZINC000490699821 468237332 /nfs/dbraw/zinc/23/73/32/468237332.db2.gz DWTLJGKVSYEVLW-POHAHGRESA-N 1 2 336.395 2.380 20 30 EEEDLO C#CC[N@@H+](CCCOc1cc(C)ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000490865525 468258324 /nfs/dbraw/zinc/25/83/24/468258324.db2.gz CZWCHUFBLREPNL-QGZVFWFLSA-N 1 2 335.469 2.195 20 30 EEEDLO C#CC[N@H+](CCCOc1cc(C)ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000490865525 468258331 /nfs/dbraw/zinc/25/83/31/468258331.db2.gz CZWCHUFBLREPNL-QGZVFWFLSA-N 1 2 335.469 2.195 20 30 EEEDLO C=CCC[C@H]1NC(=O)N(c2cccc([C@H](C)[NH+]3CCOCC3)c2)C1=O ZINC000569555118 468508737 /nfs/dbraw/zinc/50/87/37/468508737.db2.gz AJQQPTKTKQIAJS-WMLDXEAASA-N 1 2 343.427 2.471 20 30 EEEDLO CC(C)c1cc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)on1 ZINC000591742510 468512806 /nfs/dbraw/zinc/51/28/06/468512806.db2.gz SMMCXNUAFJFCDU-UHFFFAOYSA-N 1 2 333.413 2.233 20 30 EEEDLO C=C(C)[C@H](CC(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1)OCC ZINC000582610981 468567227 /nfs/dbraw/zinc/56/72/27/468567227.db2.gz HVZBTHVUUUYJQU-KRWDZBQOSA-N 1 2 345.447 2.017 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1coc(-c2c(F)cccc2F)n1 ZINC000570284318 468616717 /nfs/dbraw/zinc/61/67/17/468616717.db2.gz FXOZUDBPVMMQKS-INIZCTEOSA-N 1 2 334.326 2.193 20 30 EEEDLO C[C@@H](NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1cccc2ccccc21 ZINC000592147424 468638905 /nfs/dbraw/zinc/63/89/05/468638905.db2.gz LQCYLUXGWGSXQU-FOIQADDNSA-N 1 2 337.423 2.367 20 30 EEEDLO C[C@@H](NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1cccc2ccccc21 ZINC000592147424 468638908 /nfs/dbraw/zinc/63/89/08/468638908.db2.gz LQCYLUXGWGSXQU-FOIQADDNSA-N 1 2 337.423 2.367 20 30 EEEDLO Cn1c2cc(Br)ccc2nc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592154559 468641169 /nfs/dbraw/zinc/64/11/69/468641169.db2.gz UDQGZYBILQZTFW-OAHLLOKOSA-N 1 2 349.232 2.186 20 30 EEEDLO Cn1c2cc(Br)ccc2nc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592154559 468641175 /nfs/dbraw/zinc/64/11/75/468641175.db2.gz UDQGZYBILQZTFW-OAHLLOKOSA-N 1 2 349.232 2.186 20 30 EEEDLO Cn1c[nH+]cc1CC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000557663471 468644965 /nfs/dbraw/zinc/64/49/65/468644965.db2.gz SSFWNTSIHCKZEX-UHFFFAOYSA-N 1 2 342.374 2.043 20 30 EEEDLO Cc1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)nc(C)n1 ZINC000595288468 468801041 /nfs/dbraw/zinc/80/10/41/468801041.db2.gz JLPWETFMQRYTDW-UHFFFAOYSA-N 1 2 325.391 2.426 20 30 EEEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000584128829 468805477 /nfs/dbraw/zinc/80/54/77/468805477.db2.gz IALXFEJBRHEQOQ-IBGZPJMESA-N 1 2 343.427 2.042 20 30 EEEDLO N#Cc1ccc(Cl)c(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)c1 ZINC000598342246 468836519 /nfs/dbraw/zinc/83/65/19/468836519.db2.gz FFWYREJCKPTOJO-UHFFFAOYSA-N 1 2 347.846 2.396 20 30 EEEDLO COc1ccc(CN2CC[C@@H]([N@@H+]3CCC[C@](C)(C#N)C3)C2=O)cc1 ZINC000595424355 468848177 /nfs/dbraw/zinc/84/81/77/468848177.db2.gz HSMHCKYVQUPVJD-IEBWSBKVSA-N 1 2 327.428 2.422 20 30 EEEDLO COc1ccc(CN2CC[C@@H]([N@H+]3CCC[C@](C)(C#N)C3)C2=O)cc1 ZINC000595424355 468848179 /nfs/dbraw/zinc/84/81/79/468848179.db2.gz HSMHCKYVQUPVJD-IEBWSBKVSA-N 1 2 327.428 2.422 20 30 EEEDLO N#CCCC1CC[NH+]([C@@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 ZINC000584470251 468879501 /nfs/dbraw/zinc/87/95/01/468879501.db2.gz QVPSSPHKVFPPJO-MRXNPFEDSA-N 1 2 329.375 2.473 20 30 EEEDLO CCOC(=O)C[N@@H+](Cc1ccc(F)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598589741 468925500 /nfs/dbraw/zinc/92/55/00/468925500.db2.gz IFDRVNSUZRGZBK-MRXNPFEDSA-N 1 2 336.407 2.492 20 30 EEEDLO CCOC(=O)C[N@H+](Cc1ccc(F)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598589741 468925505 /nfs/dbraw/zinc/92/55/05/468925505.db2.gz IFDRVNSUZRGZBK-MRXNPFEDSA-N 1 2 336.407 2.492 20 30 EEEDLO C[C@H]([NH2+][C@@H](CO)c1cccc(Cl)c1Cl)C(=O)N(C)CCC#N ZINC000595831195 469031478 /nfs/dbraw/zinc/03/14/78/469031478.db2.gz YSARHEOQHGRBAA-GWCFXTLKSA-N 1 2 344.242 2.377 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1=O ZINC000562683812 469035415 /nfs/dbraw/zinc/03/54/15/469035415.db2.gz YALVPQVOTXXJSO-INIZCTEOSA-N 1 2 338.411 2.068 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1=O ZINC000562683812 469035421 /nfs/dbraw/zinc/03/54/21/469035421.db2.gz YALVPQVOTXXJSO-INIZCTEOSA-N 1 2 338.411 2.068 20 30 EEEDLO CC[C@@H](C#N)C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000593613471 469060067 /nfs/dbraw/zinc/06/00/67/469060067.db2.gz JNBMPKXKQGCJCM-NSHDSACASA-N 1 2 326.322 2.299 20 30 EEEDLO CCc1nc(C#N)cc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC000596129099 469169581 /nfs/dbraw/zinc/16/95/81/469169581.db2.gz MKGQWVLAWRLVOZ-AWEZNQCLSA-N 1 2 331.370 2.904 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000603013781 469221328 /nfs/dbraw/zinc/22/13/28/469221328.db2.gz JDZGKRVTZXQRKB-HNAYVOBHSA-N 1 2 346.450 2.391 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000611432295 469249130 /nfs/dbraw/zinc/24/91/30/469249130.db2.gz RUQQTCBAKPAFOU-FJIDUMEYSA-N 1 2 334.508 2.330 20 30 EEEDLO N#Cc1cc(F)cc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000603070646 469249720 /nfs/dbraw/zinc/24/97/20/469249720.db2.gz PYEHUZJCPVUXQJ-INIZCTEOSA-N 1 2 332.379 2.026 20 30 EEEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000604487651 469482170 /nfs/dbraw/zinc/48/21/70/469482170.db2.gz CTSCARNUZBWYPI-UHFFFAOYSA-N 1 2 334.383 2.129 20 30 EEEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000604487651 469482173 /nfs/dbraw/zinc/48/21/73/469482173.db2.gz CTSCARNUZBWYPI-UHFFFAOYSA-N 1 2 334.383 2.129 20 30 EEEDLO N#CCc1cccc(S(=O)(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1 ZINC000619463045 469614849 /nfs/dbraw/zinc/61/48/49/469614849.db2.gz VJDWXPMNJWXRIZ-UHFFFAOYSA-N 1 2 339.380 2.134 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H]3C#N)CC2)cs1 ZINC000613166537 469646104 /nfs/dbraw/zinc/64/61/04/469646104.db2.gz VQGZORUIIXFIFV-GDBMZVCRSA-N 1 2 347.488 2.361 20 30 EEEDLO Cc1nc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H]3C#N)CC2)cs1 ZINC000613166537 469646108 /nfs/dbraw/zinc/64/61/08/469646108.db2.gz VQGZORUIIXFIFV-GDBMZVCRSA-N 1 2 347.488 2.361 20 30 EEEDLO C=C[C@H](C(=O)OC)N1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000619699675 469666129 /nfs/dbraw/zinc/66/61/29/469666129.db2.gz KKPVHZDNPOJDDL-CQSZACIVSA-N 1 2 331.441 2.142 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000609485597 469932272 /nfs/dbraw/zinc/93/22/72/469932272.db2.gz SYKHIBOEOPRANC-LPHOPBHVSA-N 1 2 340.471 2.130 20 30 EEEDLO CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609538476 469937476 /nfs/dbraw/zinc/93/74/76/469937476.db2.gz STXFNINITLSZBJ-ZWKOTPCHSA-N 1 2 336.524 2.483 20 30 EEEDLO CC#CC[C@@H](CO)Nc1cc(Nc2ccc(OC)cc2OC)nc[nH+]1 ZINC000645406256 470294128 /nfs/dbraw/zinc/29/41/28/470294128.db2.gz UZIRHUUDLUBFOE-ZDUSSCGKSA-N 1 2 342.399 2.424 20 30 EEEDLO CC#CC[C@H](CO)Nc1cc(Nc2ccc(OC)cc2OC)nc[nH+]1 ZINC000645406255 470294382 /nfs/dbraw/zinc/29/43/82/470294382.db2.gz UZIRHUUDLUBFOE-CYBMUJFWSA-N 1 2 342.399 2.424 20 30 EEEDLO Cc1cc(C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c(C)n1CC(F)(F)F ZINC000646031246 470498927 /nfs/dbraw/zinc/49/89/27/470498927.db2.gz SLNNSNNSGIPLPZ-OAHLLOKOSA-N 1 2 343.349 2.200 20 30 EEEDLO Cc1cc(C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c(C)n1CC(F)(F)F ZINC000646031246 470498931 /nfs/dbraw/zinc/49/89/31/470498931.db2.gz SLNNSNNSGIPLPZ-OAHLLOKOSA-N 1 2 343.349 2.200 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2cccc(SC)c2)nn1 ZINC000640903505 471107392 /nfs/dbraw/zinc/10/73/92/471107392.db2.gz NPGLWQRVIIRDSM-ZDUSSCGKSA-N 1 2 343.456 2.313 20 30 EEEDLO C=CCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000658386214 471298093 /nfs/dbraw/zinc/29/80/93/471298093.db2.gz FUASJLPOWGPENE-UHFFFAOYSA-N 1 2 326.400 2.394 20 30 EEEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)nn1 ZINC000653594396 471678172 /nfs/dbraw/zinc/67/81/72/471678172.db2.gz QATBXTNYYNAYGK-AWEZNQCLSA-N 1 2 327.436 2.229 20 30 EEEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)nn1 ZINC000653594396 471678177 /nfs/dbraw/zinc/67/81/77/471678177.db2.gz QATBXTNYYNAYGK-AWEZNQCLSA-N 1 2 327.436 2.229 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)C1(C#N)CCOCC1 ZINC000109139922 534681331 /nfs/dbraw/zinc/68/13/31/534681331.db2.gz SHPLICODTPNOOC-UHFFFAOYSA-N 1 2 326.400 2.171 20 30 EEEDLO N#CCSCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000110979592 534703471 /nfs/dbraw/zinc/70/34/71/534703471.db2.gz BRQMJDVEYRDKCI-GFCCVEGCSA-N 1 2 339.411 2.302 20 30 EEEDLO N#CCSCC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000110979592 534703478 /nfs/dbraw/zinc/70/34/78/534703478.db2.gz BRQMJDVEYRDKCI-GFCCVEGCSA-N 1 2 339.411 2.302 20 30 EEEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726258480 576252367 /nfs/dbraw/zinc/25/23/67/576252367.db2.gz KJPPTUFZNYWOAA-INIZCTEOSA-N 1 2 344.459 2.201 20 30 EEEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726258480 576252368 /nfs/dbraw/zinc/25/23/68/576252368.db2.gz KJPPTUFZNYWOAA-INIZCTEOSA-N 1 2 344.459 2.201 20 30 EEEDLO Cc1[nH+]c2ccccn2c1CN=Nc1ccccc1S(C)(=O)=O ZINC000731932874 577137024 /nfs/dbraw/zinc/13/70/24/577137024.db2.gz GRHYYQWEFOWTIX-UHFFFAOYSA-N 1 2 328.397 2.492 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000732064224 577145353 /nfs/dbraw/zinc/14/53/53/577145353.db2.gz CREJJIXZMRFEIX-IRXDYDNUSA-N 1 2 338.411 2.451 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000732064224 577145355 /nfs/dbraw/zinc/14/53/55/577145355.db2.gz CREJJIXZMRFEIX-IRXDYDNUSA-N 1 2 338.411 2.451 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000732064224 577145357 /nfs/dbraw/zinc/14/53/57/577145357.db2.gz CREJJIXZMRFEIX-IRXDYDNUSA-N 1 2 338.411 2.451 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000732064224 577145359 /nfs/dbraw/zinc/14/53/59/577145359.db2.gz CREJJIXZMRFEIX-IRXDYDNUSA-N 1 2 338.411 2.451 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2cnn(-c3ccccc3)c2C(C)C)CC1 ZINC000733162086 577206626 /nfs/dbraw/zinc/20/66/26/577206626.db2.gz FXGQSWUCFYLXFF-UHFFFAOYSA-N 1 2 336.439 2.387 20 30 EEEDLO COc1cccc2cc(CN(CCC#N)CC[NH+]3CCOCC3)oc21 ZINC000771932631 577239669 /nfs/dbraw/zinc/23/96/69/577239669.db2.gz ZFSLTAAOLLLUDH-UHFFFAOYSA-N 1 2 343.427 2.489 20 30 EEEDLO COc1cccc2cc(C[N@H+](CCC#N)CCN3CCOCC3)oc21 ZINC000771932631 577239670 /nfs/dbraw/zinc/23/96/70/577239670.db2.gz ZFSLTAAOLLLUDH-UHFFFAOYSA-N 1 2 343.427 2.489 20 30 EEEDLO COc1cccc2cc(C[N@@H+](CCC#N)CCN3CCOCC3)oc21 ZINC000771932631 577239671 /nfs/dbraw/zinc/23/96/71/577239671.db2.gz ZFSLTAAOLLLUDH-UHFFFAOYSA-N 1 2 343.427 2.489 20 30 EEEDLO NS(=O)(=O)c1ccccc1N=NCc1c[nH+]c2ccc(Cl)cn12 ZINC000773114325 577316826 /nfs/dbraw/zinc/31/68/26/577316826.db2.gz WILRPZDWDUEEMM-UHFFFAOYSA-N 1 2 349.803 2.081 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759908054 577653678 /nfs/dbraw/zinc/65/36/78/577653678.db2.gz VCXAXPMUWUUFIT-GFCCVEGCSA-N 1 2 336.233 2.428 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759908054 577653679 /nfs/dbraw/zinc/65/36/79/577653679.db2.gz VCXAXPMUWUUFIT-GFCCVEGCSA-N 1 2 336.233 2.428 20 30 EEEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1c[nH+]cn1C ZINC000752951545 577778968 /nfs/dbraw/zinc/77/89/68/577778968.db2.gz IZMSQMVBPSNDJW-UHFFFAOYSA-N 1 2 337.383 2.101 20 30 EEEDLO Cc1cc(C)n(-c2nncn2N=Cc2c[nH+]c(C)n2-c2ccccc2)n1 ZINC000755606523 577827766 /nfs/dbraw/zinc/82/77/66/577827766.db2.gz LUBZQUKQLOKYCZ-UHFFFAOYSA-N 1 2 346.398 2.457 20 30 EEEDLO C#CC[N@@H+](CC#CC)CC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000743852315 577890493 /nfs/dbraw/zinc/89/04/93/577890493.db2.gz LSMARFYDLDDEEX-UHFFFAOYSA-N 1 2 332.831 2.136 20 30 EEEDLO C#CC[N@H+](CC#CC)CC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000743852315 577890494 /nfs/dbraw/zinc/89/04/94/577890494.db2.gz LSMARFYDLDDEEX-UHFFFAOYSA-N 1 2 332.831 2.136 20 30 EEEDLO N#Cc1ccc(F)c(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000745893796 577920043 /nfs/dbraw/zinc/92/00/43/577920043.db2.gz HEDUIBGOWAYNMQ-HNNXBMFYSA-N 1 2 327.363 2.441 20 30 EEEDLO C[C@H](NC(=O)c1cncs1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969358372 674878552 /nfs/dbraw/zinc/87/85/52/674878552.db2.gz GEZQCCJYWLTGKQ-LBPRGKRZSA-N 1 2 326.425 2.265 20 30 EEEDLO C[C@@H](NC(=O)[C@H]1CCCOC1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969388111 674932412 /nfs/dbraw/zinc/93/24/12/674932412.db2.gz BYMOHOUESLXNJX-CJNGLKHVSA-N 1 2 345.418 2.060 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2nc(C)oc2C)C1 ZINC000969692455 675168784 /nfs/dbraw/zinc/16/87/84/675168784.db2.gz NGEQMWXHCUXMDT-NJAPINKUSA-N 1 2 347.459 2.209 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ncnc3sccc32)C1 ZINC000969699453 675169959 /nfs/dbraw/zinc/16/99/59/675169959.db2.gz JXLRALYXPXQJFQ-JTQLQIEISA-N 1 2 336.848 2.494 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000970635149 676043216 /nfs/dbraw/zinc/04/32/16/676043216.db2.gz UQOFMWKPOHXYAI-LBPRGKRZSA-N 1 2 349.862 2.469 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3c(c2)CCN3C)C1 ZINC000970695313 676083920 /nfs/dbraw/zinc/08/39/20/676083920.db2.gz BVSFWUBZFHJJCT-CYBMUJFWSA-N 1 2 333.863 2.482 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC000970892353 676219417 /nfs/dbraw/zinc/21/94/17/676219417.db2.gz OLWZRAUSVJTIOW-ZDUSSCGKSA-N 1 2 345.834 2.070 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H](C)C2C[NH+](Cc3nc(C)cs3)C2)c1 ZINC000970399241 675854042 /nfs/dbraw/zinc/85/40/42/675854042.db2.gz OCEFBHIVUVIVNM-CYBMUJFWSA-N 1 2 340.452 2.078 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2Cc3cccc(F)c3O2)C1 ZINC000970910043 676232762 /nfs/dbraw/zinc/23/27/62/676232762.db2.gz KKWBSZZXBGCZSI-XHDPSFHLSA-N 1 2 338.810 2.318 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001021663071 676318064 /nfs/dbraw/zinc/31/80/64/676318064.db2.gz UJIGRHQFZDQASJ-HRCADAONSA-N 1 2 344.459 2.106 20 30 EEEDLO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC001021707112 676367238 /nfs/dbraw/zinc/36/72/38/676367238.db2.gz RUSHZRBSTOANKZ-MSOLQXFVSA-N 1 2 349.438 2.031 20 30 EEEDLO Cc1nc(C(=O)N2CC[C@H]([N@H+](C)Cc3cc(F)ccc3C#N)C2)c[nH]1 ZINC000971211601 676443613 /nfs/dbraw/zinc/44/36/13/676443613.db2.gz SZNHSQQTTBSMAF-INIZCTEOSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1nc(C(=O)N2CC[C@H]([N@@H+](C)Cc3cc(F)ccc3C#N)C2)c[nH]1 ZINC000971211601 676443614 /nfs/dbraw/zinc/44/36/14/676443614.db2.gz SZNHSQQTTBSMAF-INIZCTEOSA-N 1 2 341.390 2.075 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(C)n(C)n3)C2)cc1 ZINC000972059323 678185541 /nfs/dbraw/zinc/18/55/41/678185541.db2.gz REKAEZDCEMFSLE-LJQANCHMSA-N 1 2 336.439 2.056 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cc(C)n(C)n3)C2)cc1 ZINC000972059323 678185544 /nfs/dbraw/zinc/18/55/44/678185544.db2.gz REKAEZDCEMFSLE-LJQANCHMSA-N 1 2 336.439 2.056 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([N@H+](C)Cc2noc3c2COCC3)C1 ZINC000972246985 678445577 /nfs/dbraw/zinc/44/55/77/678445577.db2.gz RMYFNLZKWVIFHA-AUUYWEPGSA-N 1 2 347.459 2.382 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([N@@H+](C)Cc2noc3c2COCC3)C1 ZINC000972246985 678445581 /nfs/dbraw/zinc/44/55/81/678445581.db2.gz RMYFNLZKWVIFHA-AUUYWEPGSA-N 1 2 347.459 2.382 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4nc(C)oc4c3)C2)C1 ZINC000972419023 678714156 /nfs/dbraw/zinc/71/41/56/678714156.db2.gz AIHOXZLGVBARFW-LJQANCHMSA-N 1 2 341.411 2.239 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4nc(C)oc4c3)C2)C1 ZINC000972419023 678714157 /nfs/dbraw/zinc/71/41/57/678714157.db2.gz AIHOXZLGVBARFW-LJQANCHMSA-N 1 2 341.411 2.239 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CCC4(CC4)CC3)C2)C1 ZINC000972469955 678814254 /nfs/dbraw/zinc/81/42/54/678814254.db2.gz PNWHOYYSTABCAT-HXUWFJFHSA-N 1 2 330.472 2.283 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CCC4(CC4)CC3)C2)C1 ZINC000972469955 678814259 /nfs/dbraw/zinc/81/42/59/678814259.db2.gz PNWHOYYSTABCAT-HXUWFJFHSA-N 1 2 330.472 2.283 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cncc4sccc43)C2)C1 ZINC000972512899 679130397 /nfs/dbraw/zinc/13/03/97/679130397.db2.gz APOWEZOYRVTRGD-GOSISDBHSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cncc4sccc43)C2)C1 ZINC000972512899 679130398 /nfs/dbraw/zinc/13/03/98/679130398.db2.gz APOWEZOYRVTRGD-GOSISDBHSA-N 1 2 343.452 2.399 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2nocc2C)C1 ZINC000972514836 679132447 /nfs/dbraw/zinc/13/24/47/679132447.db2.gz UAXNKZIDTYNHIR-RYRKJORJSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2nocc2C)C1 ZINC000972514836 679132449 /nfs/dbraw/zinc/13/24/49/679132449.db2.gz UAXNKZIDTYNHIR-RYRKJORJSA-N 1 2 347.459 2.387 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2nnc(C)o2)C1 ZINC001023414756 679298403 /nfs/dbraw/zinc/29/84/03/679298403.db2.gz AJHLPPMMLZKUEV-HNNXBMFYSA-N 1 2 343.431 2.008 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@H+](Cc2nnc(C)o2)C1 ZINC001023414756 679298404 /nfs/dbraw/zinc/29/84/04/679298404.db2.gz AJHLPPMMLZKUEV-HNNXBMFYSA-N 1 2 343.431 2.008 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(Cl)cc3)C2)C1 ZINC000972659537 679524251 /nfs/dbraw/zinc/52/42/51/679524251.db2.gz NSQDHIWHHOFHQH-GOSISDBHSA-N 1 2 334.847 2.372 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(Cl)cc3)C2)C1 ZINC000972659537 679524256 /nfs/dbraw/zinc/52/42/56/679524256.db2.gz NSQDHIWHHOFHQH-GOSISDBHSA-N 1 2 334.847 2.372 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C)cc3C)C2)C1 ZINC000972663015 679532136 /nfs/dbraw/zinc/53/21/36/679532136.db2.gz XSMVDVMLNQFBRM-FQEVSTJZSA-N 1 2 326.440 2.244 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C)cc3C)C2)C1 ZINC000972663015 679532137 /nfs/dbraw/zinc/53/21/37/679532137.db2.gz XSMVDVMLNQFBRM-FQEVSTJZSA-N 1 2 326.440 2.244 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3ccc(OC)cc3)C2)C1 ZINC000972667612 679553088 /nfs/dbraw/zinc/55/30/88/679553088.db2.gz PCGZKZVDGLMYEP-HXUWFJFHSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3ccc(OC)cc3)C2)C1 ZINC000972667612 679553089 /nfs/dbraw/zinc/55/30/89/679553089.db2.gz PCGZKZVDGLMYEP-HXUWFJFHSA-N 1 2 344.455 2.117 20 30 EEEDLO O=C(NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1)c1cnsn1 ZINC001024342479 679877836 /nfs/dbraw/zinc/87/78/36/679877836.db2.gz VWKHSUFUIGAYKW-INIZCTEOSA-N 1 2 340.452 2.174 20 30 EEEDLO O=C(NC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1)c1cnsn1 ZINC001024342479 679877837 /nfs/dbraw/zinc/87/78/37/679877837.db2.gz VWKHSUFUIGAYKW-INIZCTEOSA-N 1 2 340.452 2.174 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2ncncc2C1 ZINC001024479120 679952179 /nfs/dbraw/zinc/95/21/79/679952179.db2.gz ZTGCCIPCERTPQI-ZBFHGGJFSA-N 1 2 348.878 2.305 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2ncncc2C1 ZINC001024479120 679952183 /nfs/dbraw/zinc/95/21/83/679952183.db2.gz ZTGCCIPCERTPQI-ZBFHGGJFSA-N 1 2 348.878 2.305 20 30 EEEDLO N#CCOc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccns2)cc1 ZINC001038305780 681231937 /nfs/dbraw/zinc/23/19/37/681231937.db2.gz LICNGZXEYJHJFA-CQSZACIVSA-N 1 2 342.424 2.050 20 30 EEEDLO N#CCOc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccns2)cc1 ZINC001038305780 681231940 /nfs/dbraw/zinc/23/19/40/681231940.db2.gz LICNGZXEYJHJFA-CQSZACIVSA-N 1 2 342.424 2.050 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc(C3CC3)c2Cl)C(C)(C)C1 ZINC000974771405 685421091 /nfs/dbraw/zinc/42/10/91/685421091.db2.gz FSGZNEOHHJLQPN-GFCCVEGCSA-N 1 2 334.851 2.404 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2[nH]nc(C3CC3)c2Cl)C(C)(C)C1 ZINC000974771405 685421100 /nfs/dbraw/zinc/42/11/00/685421100.db2.gz FSGZNEOHHJLQPN-GFCCVEGCSA-N 1 2 334.851 2.404 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@@H+]([C@H](C)c2csnn2)C1 ZINC001028594054 681263254 /nfs/dbraw/zinc/26/32/54/681263254.db2.gz ZWDSRGZMCOIWFZ-KGLIPLIRSA-N 1 2 345.472 2.339 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+]([C@H](C)c2csnn2)C1 ZINC001028594054 681263258 /nfs/dbraw/zinc/26/32/58/681263258.db2.gz ZWDSRGZMCOIWFZ-KGLIPLIRSA-N 1 2 345.472 2.339 20 30 EEEDLO Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1C ZINC001028452940 681453374 /nfs/dbraw/zinc/45/33/74/681453374.db2.gz SLSSDZYPNNZVSZ-HNNXBMFYSA-N 1 2 337.427 2.150 20 30 EEEDLO Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1C ZINC001028452940 681453378 /nfs/dbraw/zinc/45/33/78/681453378.db2.gz SLSSDZYPNNZVSZ-HNNXBMFYSA-N 1 2 337.427 2.150 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N2CCCC[C@H]2[C@H]2CCCN2CC#N)c[nH+]1 ZINC001025245120 682324174 /nfs/dbraw/zinc/32/41/74/682324174.db2.gz ZZMWNQYKDDNLKV-SJORKVTESA-N 1 2 343.475 2.296 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cncs1 ZINC001029511430 685614061 /nfs/dbraw/zinc/61/40/61/685614061.db2.gz KWAZTCFQZDEOKO-FSDCSDTHSA-N 1 2 347.484 2.300 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cncs1 ZINC001029511430 685614063 /nfs/dbraw/zinc/61/40/63/685614063.db2.gz KWAZTCFQZDEOKO-FSDCSDTHSA-N 1 2 347.484 2.300 20 30 EEEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2nsnc21 ZINC001029244794 683678211 /nfs/dbraw/zinc/67/82/11/683678211.db2.gz MAJFKIMRTQXXFE-BNOWGMLFSA-N 1 2 341.440 2.026 20 30 EEEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2nsnc21 ZINC001029244794 683678216 /nfs/dbraw/zinc/67/82/16/683678216.db2.gz MAJFKIMRTQXXFE-BNOWGMLFSA-N 1 2 341.440 2.026 20 30 EEEDLO C=CCCn1cc(C(=O)NC2C[NH+]([C@H](C)c3ccccc3C)C2)nn1 ZINC001031079135 683678697 /nfs/dbraw/zinc/67/86/97/683678697.db2.gz DUDOMMWTBAZBNG-OAHLLOKOSA-N 1 2 339.443 2.338 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+]1Cc1cc(C)ns1 ZINC001038346253 683744161 /nfs/dbraw/zinc/74/41/61/683744161.db2.gz VMURCSRJQDGAGB-AWEZNQCLSA-N 1 2 330.457 2.443 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(C)ns1 ZINC001038346253 683744164 /nfs/dbraw/zinc/74/41/64/683744164.db2.gz VMURCSRJQDGAGB-AWEZNQCLSA-N 1 2 330.457 2.443 20 30 EEEDLO CCOCc1ccc(CNC(=O)CO[NH+]=C(N)c2ccccc2)cc1 ZINC000178151088 683790684 /nfs/dbraw/zinc/79/06/84/683790684.db2.gz OVMLSNLOORLQGO-UHFFFAOYSA-N 1 2 341.411 2.176 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cnns2)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000993079446 683896068 /nfs/dbraw/zinc/89/60/68/683896068.db2.gz ARVSARVSQCYQKL-DOMZBBRYSA-N 1 2 341.440 2.193 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cnns2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000993079446 683896070 /nfs/dbraw/zinc/89/60/70/683896070.db2.gz ARVSARVSQCYQKL-DOMZBBRYSA-N 1 2 341.440 2.193 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cocn2)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000993101884 683925546 /nfs/dbraw/zinc/92/55/46/683925546.db2.gz GYDPHLBZNPKBME-BLLLJJGKSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cocn2)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000993101884 683925547 /nfs/dbraw/zinc/92/55/47/683925547.db2.gz GYDPHLBZNPKBME-BLLLJJGKSA-N 1 2 342.374 2.468 20 30 EEEDLO C=CCCC(=O)N1CC[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001059317319 684129881 /nfs/dbraw/zinc/12/98/81/684129881.db2.gz GCIIYOPXHISYEP-HOTGVXAUSA-N 1 2 332.448 2.155 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000984452421 684557588 /nfs/dbraw/zinc/55/75/88/684557588.db2.gz IKKMZXIUUDDXPP-OAHLLOKOSA-N 1 2 346.475 2.312 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000984455827 684564465 /nfs/dbraw/zinc/56/44/65/684564465.db2.gz XYPREOHTVCGXDZ-OAHLLOKOSA-N 1 2 346.475 2.014 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)no1 ZINC001006650653 684637435 /nfs/dbraw/zinc/63/74/35/684637435.db2.gz LAKNEAPNBKNUDV-LBPRGKRZSA-N 1 2 330.413 2.311 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)no1 ZINC001006650653 684637436 /nfs/dbraw/zinc/63/74/36/684637436.db2.gz LAKNEAPNBKNUDV-LBPRGKRZSA-N 1 2 330.413 2.311 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)Nc2cc(F)ccc2F)cc1 ZINC000054230124 685038812 /nfs/dbraw/zinc/03/88/12/685038812.db2.gz DFFSKTFPABVPDC-UHFFFAOYSA-N 1 2 335.310 2.249 20 30 EEEDLO C=CCCCC(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001060102117 693976691 /nfs/dbraw/zinc/97/66/91/693976691.db2.gz OBMFATNHNFOBQW-INIZCTEOSA-N 1 2 346.475 2.064 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc3nonc3c2)C(C)(C)C1 ZINC000975006084 686039045 /nfs/dbraw/zinc/03/90/45/686039045.db2.gz KCPCKHSMQWBRCO-AWEZNQCLSA-N 1 2 334.807 2.416 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc3nonc3c2)C(C)(C)C1 ZINC000975006084 686039050 /nfs/dbraw/zinc/03/90/50/686039050.db2.gz KCPCKHSMQWBRCO-AWEZNQCLSA-N 1 2 334.807 2.416 20 30 EEEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cnccc3C#N)CC2)cc1 ZINC000893422385 687164747 /nfs/dbraw/zinc/16/47/47/687164747.db2.gz IHCNYWCQQPQZMS-UHFFFAOYSA-N 1 2 334.423 2.474 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)c(C)o1 ZINC001027372226 687767272 /nfs/dbraw/zinc/76/72/72/687767272.db2.gz PGFGDUGLWZMNBV-HNNXBMFYSA-N 1 2 341.415 2.228 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)c(C)o1 ZINC001027372226 687767276 /nfs/dbraw/zinc/76/72/76/687767276.db2.gz PGFGDUGLWZMNBV-HNNXBMFYSA-N 1 2 341.415 2.228 20 30 EEEDLO CCc1cnc(C[N@H+](C)[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001027374756 687777004 /nfs/dbraw/zinc/77/70/04/687777004.db2.gz IUTMYAUTTHLSBZ-HNNXBMFYSA-N 1 2 341.415 2.173 20 30 EEEDLO CCc1cnc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001027374756 687777009 /nfs/dbraw/zinc/77/70/09/687777009.db2.gz IUTMYAUTTHLSBZ-HNNXBMFYSA-N 1 2 341.415 2.173 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001060175344 694245025 /nfs/dbraw/zinc/24/50/25/694245025.db2.gz KASQHVQFKKGILT-HOTGVXAUSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 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329.469 2.371 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cscn1)C2 ZINC001040196999 690524443 /nfs/dbraw/zinc/52/44/43/690524443.db2.gz HCGXJTBSOONQST-SFHVURJKSA-N 1 2 329.469 2.371 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)cc1 ZINC001059953876 691462073 /nfs/dbraw/zinc/46/20/73/691462073.db2.gz PAWZVBCRCIUQMP-KRWDZBQOSA-N 1 2 334.423 2.413 20 30 EEEDLO Cc1ocnc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001027780239 694466446 /nfs/dbraw/zinc/46/64/46/694466446.db2.gz MLUAIFNYAUNKRG-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ocnc1C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001027780239 694466450 /nfs/dbraw/zinc/46/64/50/694466450.db2.gz MLUAIFNYAUNKRG-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C2CC(OC)C2)C1 ZINC001027456421 692165762 /nfs/dbraw/zinc/16/57/62/692165762.db2.gz ZCFIOAWFDJXHNV-MOKVOYLWSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C2CC(OC)C2)C1 ZINC001027456421 692165763 /nfs/dbraw/zinc/16/57/63/692165763.db2.gz ZCFIOAWFDJXHNV-MOKVOYLWSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001060002852 692510552 /nfs/dbraw/zinc/51/05/52/692510552.db2.gz ZHSZJHJVWSMELX-VQIMIIECSA-N 1 2 346.475 2.230 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@]23CCC[C@H]2[N@H+](Cc2cscn2)CC3)[nH]1 ZINC000990250710 692772682 /nfs/dbraw/zinc/77/26/82/692772682.db2.gz LAOMBOBWSYUMQG-NVXWUHKLSA-N 1 2 341.440 2.270 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](Cc2cscn2)CC3)[nH]1 ZINC000990250710 692772685 /nfs/dbraw/zinc/77/26/85/692772685.db2.gz LAOMBOBWSYUMQG-NVXWUHKLSA-N 1 2 341.440 2.270 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc3n[nH]nc3c2)C(C)(C)C1 ZINC000977568085 692782624 /nfs/dbraw/zinc/78/26/24/692782624.db2.gz BUEJCMQAFOUBHR-AWEZNQCLSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc3n[nH]nc3c2)C(C)(C)C1 ZINC000977568085 692782625 /nfs/dbraw/zinc/78/26/25/692782625.db2.gz BUEJCMQAFOUBHR-AWEZNQCLSA-N 1 2 333.823 2.151 20 30 EEEDLO C=CCN(C(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C(C)C ZINC000898546316 693366704 /nfs/dbraw/zinc/36/67/04/693366704.db2.gz HABMJFIJCCXVLD-KRWDZBQOSA-N 1 2 340.427 2.164 20 30 EEEDLO Cc1nc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)c(C)o1 ZINC001032066556 1192085198 /nfs/dbraw/zinc/08/51/98/1192085198.db2.gz WULNIEDZQRTXOT-UHFFFAOYSA-N 1 2 342.374 2.164 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000943380540 1192213890 /nfs/dbraw/zinc/21/38/90/1192213890.db2.gz FATLXFVMSHVWKU-HNNXBMFYSA-N 1 2 346.475 2.062 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000943386012 1192239178 /nfs/dbraw/zinc/23/91/78/1192239178.db2.gz XJKNJZDGUJKKDW-DNVCBOLYSA-N 1 2 346.475 2.062 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)CCO1 ZINC001032078729 1192240723 /nfs/dbraw/zinc/24/07/23/1192240723.db2.gz XRTYCFSGEVXMNC-CJNGLKHVSA-N 1 2 345.418 2.060 20 30 EEEDLO CCCc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)no1 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C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ncc4ccccn43)[C@@H]2C1 ZINC001076037383 1188675823 /nfs/dbraw/zinc/67/58/23/1188675823.db2.gz JDNKLEPKJOARRL-DZGCQCFKSA-N 1 2 330.819 2.233 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)c4nncn4C)C[C@H]32)CC1 ZINC001076208931 1188783270 /nfs/dbraw/zinc/78/32/70/1188783270.db2.gz QTYAUXKXWIEZQL-BHYGNILZSA-N 1 2 343.475 2.155 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)c4nncn4C)C[C@H]32)CC1 ZINC001076208931 1188783274 /nfs/dbraw/zinc/78/32/74/1188783274.db2.gz QTYAUXKXWIEZQL-BHYGNILZSA-N 1 2 343.475 2.155 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC)[C@@H]2C1 ZINC001076264852 1188817001 /nfs/dbraw/zinc/81/70/01/1188817001.db2.gz XAQPOOXKEKOFJG-XJFOESAGSA-N 1 2 327.266 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC)[C@@H]2C1 ZINC001076264852 1188817007 /nfs/dbraw/zinc/81/70/07/1188817007.db2.gz XAQPOOXKEKOFJG-XJFOESAGSA-N 1 2 327.266 2.474 20 30 EEEDLO 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338.810 2.320 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COc3cc(F)ccc3C2)C1 ZINC001014424002 1226602323 /nfs/dbraw/zinc/60/23/23/1226602323.db2.gz HSJKFXZMMHKOJB-HIFRSBDPSA-N 1 2 338.810 2.320 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3c[nH]nc32)C1 ZINC001014438331 1226617598 /nfs/dbraw/zinc/61/75/98/1226617598.db2.gz SOUAOUJDZIIIBI-MSOLQXFVSA-N 1 2 349.438 2.092 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3c[nH]nc32)C1 ZINC001014438331 1226617606 /nfs/dbraw/zinc/61/76/06/1226617606.db2.gz SOUAOUJDZIIIBI-MSOLQXFVSA-N 1 2 349.438 2.092 20 30 EEEDLO Cn1ncc(Cl)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001014438321 1226617822 /nfs/dbraw/zinc/61/78/22/1226617822.db2.gz HCBBKUQVJSMRIU-SNVBAGLBSA-N 1 2 349.847 2.011 20 30 EEEDLO Cn1ncc(Cl)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001014438321 1226617829 /nfs/dbraw/zinc/61/78/29/1226617829.db2.gz HCBBKUQVJSMRIU-SNVBAGLBSA-N 1 2 349.847 2.011 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3c[nH]nc32)C1 ZINC001014438340 1226617839 /nfs/dbraw/zinc/61/78/39/1226617839.db2.gz SOUAOUJDZIIIBI-ZWKOTPCHSA-N 1 2 349.438 2.092 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3c[nH]nc32)C1 ZINC001014438340 1226617844 /nfs/dbraw/zinc/61/78/44/1226617844.db2.gz SOUAOUJDZIIIBI-ZWKOTPCHSA-N 1 2 349.438 2.092 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccnn2C2CCC2)C1 ZINC001014471779 1226656328 /nfs/dbraw/zinc/65/63/28/1226656328.db2.gz MFYCTCVQABBYRO-KRWDZBQOSA-N 1 2 349.438 2.484 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccnn2C2CCC2)C1 ZINC001014471779 1226656330 /nfs/dbraw/zinc/65/63/30/1226656330.db2.gz MFYCTCVQABBYRO-KRWDZBQOSA-N 1 2 349.438 2.484 20 30 EEEDLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(C2CC2)n1 ZINC001014578689 1226800507 /nfs/dbraw/zinc/80/05/07/1226800507.db2.gz IEZSFBFPPPZXHL-QGZVFWFLSA-N 1 2 349.438 2.173 20 30 EEEDLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(C2CC2)n1 ZINC001014578689 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N#Cc1ccc(F)c(C[NH2+][C@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)c1 ZINC001018878811 1228481637 /nfs/dbraw/zinc/48/16/37/1228481637.db2.gz UTALWWBJHDSMKI-AAEUAGOBSA-N 1 2 347.287 2.288 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001018909744 1228514760 /nfs/dbraw/zinc/51/47/60/1228514760.db2.gz AYEXMWHOHSYKIP-LBPRGKRZSA-N 1 2 338.839 2.416 20 30 EEEDLO CC(C)c1cc(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3C#N)C2)n[nH]1 ZINC001019417302 1229085395 /nfs/dbraw/zinc/08/53/95/1229085395.db2.gz IRAWQZCAZZSVJW-INIZCTEOSA-N 1 2 337.427 2.409 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1oc(CC)nc1C ZINC001038267194 1229713594 /nfs/dbraw/zinc/71/35/94/1229713594.db2.gz QNGBYPYRORZBKM-OAGGEKHMSA-N 1 2 347.459 2.217 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1oc(CC)nc1C ZINC001038267194 1229713597 /nfs/dbraw/zinc/71/35/97/1229713597.db2.gz QNGBYPYRORZBKM-OAGGEKHMSA-N 1 2 347.459 2.217 20 30 EEEDLO Cn1nc(C2CC2)cc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038301616 1229731093 /nfs/dbraw/zinc/73/10/93/1229731093.db2.gz PACVYHMULIVNOK-KRWDZBQOSA-N 1 2 349.438 2.173 20 30 EEEDLO Cn1nc(C2CC2)cc1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038301616 1229731094 /nfs/dbraw/zinc/73/10/94/1229731094.db2.gz PACVYHMULIVNOK-KRWDZBQOSA-N 1 2 349.438 2.173 20 30 EEEDLO C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]cc1C(F)(F)F ZINC001039384949 1230569300 /nfs/dbraw/zinc/56/93/00/1230569300.db2.gz SGTHMSPPMHDQHY-MNOVXSKESA-N 1 2 328.338 2.293 20 30 EEEDLO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]cc1C(F)(F)F ZINC001039384949 1230569303 /nfs/dbraw/zinc/56/93/03/1230569303.db2.gz SGTHMSPPMHDQHY-MNOVXSKESA-N 1 2 328.338 2.293 20 30 EEEDLO Cc1nc(N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)cc[nH+]1 ZINC001067320886 1231311004 /nfs/dbraw/zinc/31/10/04/1231311004.db2.gz DYEISQKNHXVNMZ-OAHLLOKOSA-N 1 2 338.415 2.020 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)CCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001067514206 1249152978 /nfs/dbraw/zinc/15/29/78/1249152978.db2.gz HVQKCBQJCNXVJA-HZPDHXFCSA-N 1 2 348.491 2.498 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)CCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001067514206 1249152987 /nfs/dbraw/zinc/15/29/87/1249152987.db2.gz HVQKCBQJCNXVJA-HZPDHXFCSA-N 1 2 348.491 2.498 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3ncnn3CC)[C@@H]2C1 ZINC001042185531 1231944386 /nfs/dbraw/zinc/94/43/86/1231944386.db2.gz ULCGNMWWLMWCOP-JKSUJKDBSA-N 1 2 345.491 2.323 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3ncnn3CC)[C@@H]2C1 ZINC001042185531 1231944387 /nfs/dbraw/zinc/94/43/87/1231944387.db2.gz ULCGNMWWLMWCOP-JKSUJKDBSA-N 1 2 345.491 2.323 20 30 EEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001043319708 1232379628 /nfs/dbraw/zinc/37/96/28/1232379628.db2.gz CLEKDICPCSNGPU-PXNSSMCTSA-N 1 2 326.440 2.446 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](CCOc3ccccc3C)C2)nc1 ZINC001044202987 1232786170 /nfs/dbraw/zinc/78/61/70/1232786170.db2.gz GQZWQINLLPUSBA-UHFFFAOYSA-N 1 2 349.434 2.207 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)C1C[NH+](Cc2ccc(CO)cc2)C1 ZINC001044231356 1232804618 /nfs/dbraw/zinc/80/46/18/1232804618.db2.gz OZMRKZFALXKCOU-UHFFFAOYSA-N 1 2 348.446 2.046 20 30 EEEDLO C=CCn1cccc1C(=O)NC1(C)CC[NH+](Cc2nnc(C)o2)CC1 ZINC001045461403 1233758595 /nfs/dbraw/zinc/75/85/95/1233758595.db2.gz XXJGWSQYOQWNRV-UHFFFAOYSA-N 1 2 343.431 2.150 20 30 EEEDLO CC#CC[NH+]1CCC(C)(NC(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC001045607613 1233854625 /nfs/dbraw/zinc/85/46/25/1233854625.db2.gz QXZCLBOINDIVRH-UHFFFAOYSA-N 1 2 337.427 2.079 20 30 EEEDLO C#Cc1ccc(C(=O)NC2(C)CC[NH+](Cc3ncc(C)o3)CC2)nc1 ZINC001045624637 1233866961 /nfs/dbraw/zinc/86/69/61/1233866961.db2.gz DPHCSKDVPYLYCE-UHFFFAOYSA-N 1 2 338.411 2.144 20 30 EEEDLO C[C@H]1CC[C@@](C)(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1(C)C ZINC001046069336 1234403475 /nfs/dbraw/zinc/40/34/75/1234403475.db2.gz FGASXFXQTVBYKL-ZWOKBUDYSA-N 1 2 346.519 2.191 20 30 EEEDLO CC[C@H](CC1CCCC1)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046069978 1234403575 /nfs/dbraw/zinc/40/35/75/1234403575.db2.gz KTNRNXNMKDWDKF-MOPGFXCFSA-N 1 2 346.519 2.335 20 30 EEEDLO C[C@@]1(NC(=O)[C@@H]2CCCO2)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001046122394 1234466018 /nfs/dbraw/zinc/46/60/18/1234466018.db2.gz MZMMDBOXPWYVQY-PKOBYXMFSA-N 1 2 346.858 2.451 20 30 EEEDLO C[C@@]1(NC(=O)[C@@H]2CCCO2)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001046122394 1234466022 /nfs/dbraw/zinc/46/60/22/1234466022.db2.gz MZMMDBOXPWYVQY-PKOBYXMFSA-N 1 2 346.858 2.451 20 30 EEEDLO C[C@]1(NC(=O)c2ccon2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046170227 1234511279 /nfs/dbraw/zinc/51/12/79/1234511279.db2.gz VTHPAIGUHHBNJR-KRWDZBQOSA-N 1 2 328.347 2.080 20 30 EEEDLO C[C@]1(NC(=O)c2ccon2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046170227 1234511280 /nfs/dbraw/zinc/51/12/80/1234511280.db2.gz VTHPAIGUHHBNJR-KRWDZBQOSA-N 1 2 328.347 2.080 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)c(C)s1 ZINC001046252618 1234596350 /nfs/dbraw/zinc/59/63/50/1234596350.db2.gz FCWQCDDKCFULPY-KRWDZBQOSA-N 1 2 343.456 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ZINC001046979908 1235386025 /nfs/dbraw/zinc/38/60/25/1235386025.db2.gz GLARGLMEIXIRAW-NSHDSACASA-N 1 2 332.782 2.158 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCF)CCC1(F)F ZINC001046981391 1235387763 /nfs/dbraw/zinc/38/77/63/1235387763.db2.gz YYKFVQXVUZIZQL-IHRRRGAJSA-N 1 2 334.382 2.011 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCF)CCC1(F)F ZINC001046981391 1235387768 /nfs/dbraw/zinc/38/77/68/1235387768.db2.gz YYKFVQXVUZIZQL-IHRRRGAJSA-N 1 2 334.382 2.011 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC[C@H](C2CC[NH+](Cc3nncs3)CC2)C1 ZINC001047226896 1235700082 /nfs/dbraw/zinc/70/00/82/1235700082.db2.gz AHVGQIJFDHHHNU-HIFRSBDPSA-N 1 2 347.488 2.148 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H](C2CC[NH+](Cc3nncs3)CC2)C1 ZINC001047226895 1235700136 /nfs/dbraw/zinc/70/01/36/1235700136.db2.gz AHVGQIJFDHHHNU-DZGCQCFKSA-N 1 2 347.488 2.148 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N(C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001067853234 1239327015 /nfs/dbraw/zinc/32/70/15/1239327015.db2.gz 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C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3[nH]nnc3-c3ccccc3)C[C@H]2C1 ZINC001049237093 1240345513 /nfs/dbraw/zinc/34/55/13/1240345513.db2.gz XQNJAESVASDBSV-IYBDPMFKSA-N 1 2 337.427 2.052 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccon1 ZINC001049353340 1240643510 /nfs/dbraw/zinc/64/35/10/1240643510.db2.gz KSCOECUMMFIJIK-STQMWFEESA-N 1 2 340.221 2.262 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccon1 ZINC001049353340 1240643513 /nfs/dbraw/zinc/64/35/13/1240643513.db2.gz KSCOECUMMFIJIK-STQMWFEESA-N 1 2 340.221 2.262 20 30 EEEDLO Cc1cc(N2CCC3(C[C@H]3NC(=O)[C@@H](C)C#N)CC2)nc(C2CC2)[nH+]1 ZINC001096513465 1240707763 /nfs/dbraw/zinc/70/77/63/1240707763.db2.gz MEXVYTLLRTYJHE-SWLSCSKDSA-N 1 2 339.443 2.297 20 30 EEEDLO CCCCc1noc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@H](C)C#N)n1 ZINC001049380263 1240736906 /nfs/dbraw/zinc/73/69/06/1240736906.db2.gz ZOLWXVQRSAWYRQ-QLFBSQMISA-N 1 2 345.447 2.137 20 30 EEEDLO CCCCc1noc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@H](C)C#N)n1 ZINC001049380263 1240736912 /nfs/dbraw/zinc/73/69/12/1240736912.db2.gz ZOLWXVQRSAWYRQ-QLFBSQMISA-N 1 2 345.447 2.137 20 30 EEEDLO Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)no1 ZINC001049426753 1240881281 /nfs/dbraw/zinc/88/12/81/1240881281.db2.gz YYJPYEIXOZNDMH-DLBZAZTESA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1cc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)no1 ZINC001049426753 1240881287 /nfs/dbraw/zinc/88/12/87/1240881287.db2.gz YYJPYEIXOZNDMH-DLBZAZTESA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)co1 ZINC001049432508 1240899186 /nfs/dbraw/zinc/89/91/86/1240899186.db2.gz VEIGGOMQTCYZIU-IRXDYDNUSA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)co1 ZINC001049432508 1240899192 /nfs/dbraw/zinc/89/91/92/1240899192.db2.gz VEIGGOMQTCYZIU-IRXDYDNUSA-N 1 2 339.399 2.062 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ccc3nc[nH]c3n2)CC1 ZINC001000817431 1240982376 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346.434 2.172 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nn3cccnc13)C2 ZINC001096568784 1241869249 /nfs/dbraw/zinc/86/92/49/1241869249.db2.gz RBHZLPPWVGBPTK-RDBSUJKOSA-N 1 2 345.834 2.125 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nn3cccnc13)C2 ZINC001096568784 1241869254 /nfs/dbraw/zinc/86/92/54/1241869254.db2.gz RBHZLPPWVGBPTK-RDBSUJKOSA-N 1 2 345.834 2.125 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ncc3n2CCCC3)CC1 ZINC001001467976 1242328990 /nfs/dbraw/zinc/32/89/90/1242328990.db2.gz VMUHMWLBNRKBQH-UHFFFAOYSA-N 1 2 334.851 2.334 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ncc3n2CCCC3)CC1 ZINC001001467976 1242329000 /nfs/dbraw/zinc/32/90/00/1242329000.db2.gz VMUHMWLBNRKBQH-UHFFFAOYSA-N 1 2 334.851 2.334 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC001049903802 1242630026 /nfs/dbraw/zinc/63/00/26/1242630026.db2.gz ZRYNYHJHBPWWDD-ZWKOTPCHSA-N 1 2 338.411 2.372 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC001049903802 1242630038 /nfs/dbraw/zinc/63/00/38/1242630038.db2.gz ZRYNYHJHBPWWDD-ZWKOTPCHSA-N 1 2 338.411 2.372 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001073988720 1242872193 /nfs/dbraw/zinc/87/21/93/1242872193.db2.gz QMCJVDAWUZAHOH-HOCLYGCPSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001073988720 1242872207 /nfs/dbraw/zinc/87/22/07/1242872207.db2.gz QMCJVDAWUZAHOH-HOCLYGCPSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCCOCC(=O)N1CCC[C@@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001096872566 1243402559 /nfs/dbraw/zinc/40/25/59/1243402559.db2.gz QGNGMSQYIQQKPE-INIZCTEOSA-N 1 2 332.448 2.053 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H](C)[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001050582307 1243886488 /nfs/dbraw/zinc/88/64/88/1243886488.db2.gz WRGUZFBSSVROSD-HUUCEWRRSA-N 1 2 344.459 2.052 20 30 EEEDLO CC(C)(C(=O)N1CCC[C@H](Nc2ncccc2C#N)C1)c1c[nH+]c[nH]1 ZINC001057671034 1244639801 /nfs/dbraw/zinc/63/98/01/1244639801.db2.gz KLHGXFLVDQDSCG-AWEZNQCLSA-N 1 2 338.415 2.057 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCc2ccccc21 ZINC001050980458 1244776472 /nfs/dbraw/zinc/77/64/72/1244776472.db2.gz VJZZXOOZIUIWJC-HKUYNNGSSA-N 1 2 328.456 2.500 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCc2ccccc21 ZINC001050980458 1244776474 /nfs/dbraw/zinc/77/64/74/1244776474.db2.gz VJZZXOOZIUIWJC-HKUYNNGSSA-N 1 2 328.456 2.500 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(F)c(F)cc1F ZINC001051089165 1244964145 /nfs/dbraw/zinc/96/41/45/1244964145.db2.gz JHPFVCLBTAYOFF-NSHDSACASA-N 1 2 328.334 2.111 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(F)c(F)cc1F ZINC001051089165 1244964155 /nfs/dbraw/zinc/96/41/55/1244964155.db2.gz JHPFVCLBTAYOFF-NSHDSACASA-N 1 2 328.334 2.111 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001051172185 1245084952 /nfs/dbraw/zinc/08/49/52/1245084952.db2.gz FTSSVEXWHOIVMU-QGZVFWFLSA-N 1 2 325.412 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ZINC001101217876 1245530874 /nfs/dbraw/zinc/53/08/74/1245530874.db2.gz KKKXDIXSITVMCH-KDOFPFPSSA-N 1 2 348.878 2.157 20 30 EEEDLO C#CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nn(C)cc3Cl)C[C@@]2(C)C1 ZINC001101217876 1245530880 /nfs/dbraw/zinc/53/08/80/1245530880.db2.gz KKKXDIXSITVMCH-KDOFPFPSSA-N 1 2 348.878 2.157 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NCCN(CCC)c1[nH+]cnc2c1cnn2C ZINC001101223829 1245538533 /nfs/dbraw/zinc/53/85/33/1245538533.db2.gz OTHIAENAYKTTFB-KBPBESRZSA-N 1 2 344.463 2.154 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001051323717 1245545746 /nfs/dbraw/zinc/54/57/46/1245545746.db2.gz UXISCQFOJPVMNM-HIFRSBDPSA-N 1 2 346.475 2.216 20 30 EEEDLO C=CCCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001051332005 1245562315 /nfs/dbraw/zinc/56/23/15/1245562315.db2.gz JHPPPLKTAKASIR-CVEARBPZSA-N 1 2 346.475 2.062 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H](C)[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053133625 1245961986 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C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O)C(C)(C)C ZINC001219881646 1298170985 /nfs/dbraw/zinc/17/09/85/1298170985.db2.gz GXVWBQYSRTVXHX-VUCTXSBTSA-N 1 2 347.434 2.041 20 30 EEEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O)C(C)(C)C ZINC001219881646 1298170990 /nfs/dbraw/zinc/17/09/90/1298170990.db2.gz GXVWBQYSRTVXHX-VUCTXSBTSA-N 1 2 347.434 2.041 20 30 EEEDLO CC(C)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001220403937 1298393578 /nfs/dbraw/zinc/39/35/78/1298393578.db2.gz LIVAEAVGKXQURE-MSOLQXFVSA-N 1 2 347.434 2.185 20 30 EEEDLO CC(C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001220403937 1298393589 /nfs/dbraw/zinc/39/35/89/1298393589.db2.gz LIVAEAVGKXQURE-MSOLQXFVSA-N 1 2 347.434 2.185 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001074966082 1298406030 /nfs/dbraw/zinc/40/60/30/1298406030.db2.gz OPIZPXXAUSMSBV-CABCVRRESA-N 1 2 332.448 2.194 20 30 EEEDLO C=CCO[C@@H]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001220505255 1298439521 /nfs/dbraw/zinc/43/95/21/1298439521.db2.gz YRWJKHJSGUCVGG-GOSISDBHSA-N 1 2 340.427 2.418 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC3=CCCCC3)C2)nn1 ZINC001098636864 1298660986 /nfs/dbraw/zinc/66/09/86/1298660986.db2.gz DQRHPAVCUBDELA-SFHVURJKSA-N 1 2 341.459 2.055 20 30 EEEDLO CCCc1ccc(C(=O)N2C[C@H]3CC[N@H+](CC#CCOC)C[C@H]32)s1 ZINC001221577959 1298948067 /nfs/dbraw/zinc/94/80/67/1298948067.db2.gz MWOOSRIUKHSWKU-NVXWUHKLSA-N 1 2 346.496 2.497 20 30 EEEDLO CCCc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CC#CCOC)C[C@H]32)s1 ZINC001221577959 1298948071 /nfs/dbraw/zinc/94/80/71/1298948071.db2.gz MWOOSRIUKHSWKU-NVXWUHKLSA-N 1 2 346.496 2.497 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC3CCCC3)[C@@H]2C1 ZINC001221626008 1298965616 /nfs/dbraw/zinc/96/56/16/1298965616.db2.gz LNYHQYFEBYTCLK-HZPDHXFCSA-N 1 2 326.868 2.478 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)COCC3CCCC3)[C@@H]2C1 ZINC001221626008 1298965623 /nfs/dbraw/zinc/96/56/23/1298965623.db2.gz LNYHQYFEBYTCLK-HZPDHXFCSA-N 1 2 326.868 2.478 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cc(OC)no3)C[C@H]21 ZINC001221839511 1299122407 /nfs/dbraw/zinc/12/24/07/1299122407.db2.gz VZUDJHFIRGMXBR-UKRRQHHQSA-N 1 2 333.432 2.318 20 30 EEEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@H+](Cc3cc(OC)no3)C[C@H]21 ZINC001221839511 1299122412 /nfs/dbraw/zinc/12/24/12/1299122412.db2.gz VZUDJHFIRGMXBR-UKRRQHHQSA-N 1 2 333.432 2.318 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[N@@H+](Cc2nc3ccccc3o2)C[C@@H]1O ZINC001099976844 1299560268 /nfs/dbraw/zinc/56/02/68/1299560268.db2.gz RNDIRLZHHLWSKO-HOCLYGCPSA-N 1 2 343.427 2.236 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[N@H+](Cc2nc3ccccc3o2)C[C@@H]1O ZINC001099976844 1299560282 /nfs/dbraw/zinc/56/02/82/1299560282.db2.gz RNDIRLZHHLWSKO-HOCLYGCPSA-N 1 2 343.427 2.236 20 30 EEEDLO C=CCCC(=O)NCC1CC[NH+](Cc2ncnn2CC(C)C)CC1 ZINC001222578898 1299704212 /nfs/dbraw/zinc/70/42/12/1299704212.db2.gz JEUMSJCZJCESQG-UHFFFAOYSA-N 1 2 333.480 2.229 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2CC3(C[NH+](CC=C)C3)n3ccnc32)CC1 ZINC001101642659 1299713584 /nfs/dbraw/zinc/71/35/84/1299713584.db2.gz IOWOEXVHLSMARD-OAHLLOKOSA-N 1 2 326.444 2.387 20 30 EEEDLO CC(C)C#CC(=O)NCC1CC[NH+](Cc2nc(C(C)C)no2)CC1 ZINC001223097020 1299978443 /nfs/dbraw/zinc/97/84/43/1299978443.db2.gz RWKMIMZFHORVME-UHFFFAOYSA-N 1 2 332.448 2.181 20 30 EEEDLO CCc1nnc(C[NH+]2CCC(CNC(=O)C#CC(C)(C)C)CC2)o1 ZINC001223142927 1299990511 /nfs/dbraw/zinc/99/05/11/1299990511.db2.gz OORRRNGWDAUIHI-UHFFFAOYSA-N 1 2 332.448 2.010 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)CCNc2nc(C)[nH+]c3c2CCCC3)c1 ZINC001101958291 1300072101 /nfs/dbraw/zinc/07/21/01/1300072101.db2.gz YXDBKFLSHWGIBV-UHFFFAOYSA-N 1 2 349.438 2.224 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC1CC[NH+](Cc2nnc(CC)n2C)CC1 ZINC001223311630 1300076295 /nfs/dbraw/zinc/07/62/95/1300076295.db2.gz MHZGQVWCHGKQDJ-UHFFFAOYSA-N 1 2 347.507 2.308 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3nnnn3C(C)C)[C@H]2C1 ZINC001223393558 1300113202 /nfs/dbraw/zinc/11/32/02/1300113202.db2.gz PMZVMSKHLAIYKI-CVEARBPZSA-N 1 2 346.479 2.033 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](Cc3nnnn3C(C)C)[C@H]2C1 ZINC001223393558 1300113207 /nfs/dbraw/zinc/11/32/07/1300113207.db2.gz PMZVMSKHLAIYKI-CVEARBPZSA-N 1 2 346.479 2.033 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cn(CC)nn3)[C@H]2C1 ZINC001223593993 1300186008 /nfs/dbraw/zinc/18/60/08/1300186008.db2.gz JPWOBRYVFWKHMB-WBVHZDCISA-N 1 2 345.491 2.323 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cn(CC)nn3)[C@H]2C1 ZINC001223593993 1300186011 /nfs/dbraw/zinc/18/60/11/1300186011.db2.gz JPWOBRYVFWKHMB-WBVHZDCISA-N 1 2 345.491 2.323 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NCC1CC[NH+](Cc2nn(CC)nc2C)CC1 ZINC001224165240 1300460769 /nfs/dbraw/zinc/46/07/69/1300460769.db2.gz IUOQAGLCHRBZTG-GJZGRUSLSA-N 1 2 347.507 2.393 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1C[N@H+](Cc2ncnn2CC(C)C)C[C@H]1C ZINC001102297396 1300766934 /nfs/dbraw/zinc/76/69/34/1300766934.db2.gz YVCSCQANWUDAHC-IAGOWNOFSA-N 1 2 347.507 2.475 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ncnn2CC(C)C)C[C@H]1C ZINC001102297396 1300766937 /nfs/dbraw/zinc/76/69/37/1300766937.db2.gz YVCSCQANWUDAHC-IAGOWNOFSA-N 1 2 347.507 2.475 20 30 EEEDLO C=C(C)[C@H](CC(=O)NCC[C@@H]1CCN(c2cc[nH+]c(C)n2)C1)OCC ZINC001102355888 1300925059 /nfs/dbraw/zinc/92/50/59/1300925059.db2.gz QPHFJMIPBZNDSW-SJORKVTESA-N 1 2 346.475 2.489 20 30 EEEDLO C=CCCCC(=O)NCC[C@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001102379753 1300959808 /nfs/dbraw/zinc/95/98/08/1300959808.db2.gz MUFMZHCDXNVDBA-AWEZNQCLSA-N 1 2 342.447 2.052 20 30 EEEDLO N#CCC1CN(C(=O)[C@]23C[C@H]2CC[N@H+]3Cc2cc(F)cc(C#N)c2)C1 ZINC001277126983 1301403555 /nfs/dbraw/zinc/40/35/55/1301403555.db2.gz VXZLNKVNFAYWMB-APWZRJJASA-N 1 2 338.386 2.034 20 30 EEEDLO N#CCC1CN(C(=O)[C@]23C[C@H]2CC[N@@H+]3Cc2cc(F)cc(C#N)c2)C1 ZINC001277126983 1301403557 /nfs/dbraw/zinc/40/35/57/1301403557.db2.gz VXZLNKVNFAYWMB-APWZRJJASA-N 1 2 338.386 2.034 20 30 EEEDLO O=C(C#CC1CC1)NC1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC001227232939 1301742314 /nfs/dbraw/zinc/74/23/14/1301742314.db2.gz MXLMWOUPDDCBKQ-UHFFFAOYSA-N 1 2 327.428 2.047 20 30 EEEDLO C=C(C)CCC(=O)NC1CC[NH+](Cc2cc(=O)c(OC)co2)CC1 ZINC001227607013 1301907758 /nfs/dbraw/zinc/90/77/58/1301907758.db2.gz HLXUBCCBYHCEJV-UHFFFAOYSA-N 1 2 334.416 2.085 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NC1CC[NH+]([C@H](C)c2ncccn2)CC1)OCC ZINC001227629022 1301916681 /nfs/dbraw/zinc/91/66/81/1301916681.db2.gz NFASSDNBYFWUTH-NVXWUHKLSA-N 1 2 346.475 2.490 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H](C)[C@@H](C)COC)CC1 ZINC001227727202 1301943242 /nfs/dbraw/zinc/94/32/42/1301943242.db2.gz MDPLEPXALBJDFK-AAEUAGOBSA-N 1 2 347.297 2.394 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001102946188 1301978123 /nfs/dbraw/zinc/97/81/23/1301978123.db2.gz BMAXBKFTGJXWDT-ZACQAIPSSA-N 1 2 344.459 2.099 20 30 EEEDLO Cc1cc(Br)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)n1 ZINC001228057670 1302079050 /nfs/dbraw/zinc/07/90/50/1302079050.db2.gz CPBGXWGEYLABAX-GQTXGERZSA-N 1 2 325.206 2.144 20 30 EEEDLO Cc1cc(Br)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)n1 ZINC001228057670 1302079060 /nfs/dbraw/zinc/07/90/60/1302079060.db2.gz CPBGXWGEYLABAX-GQTXGERZSA-N 1 2 325.206 2.144 20 30 EEEDLO CC[C@@H](CNC(=O)CCCn1cc[nH+]c1)Nc1snc(C)c1C#N ZINC001103121089 1302265787 /nfs/dbraw/zinc/26/57/87/1302265787.db2.gz PHJIINLUFUSVLP-ZDUSSCGKSA-N 1 2 346.460 2.307 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2n[nH]c(=O)c3cccnc32)C1 ZINC001228707656 1302395259 /nfs/dbraw/zinc/39/52/59/1302395259.db2.gz BASVMGJZMDWPRG-OAHLLOKOSA-N 1 2 347.378 2.255 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2n[nH]c(=O)c3cccnc32)C1 ZINC001228707656 1302395275 /nfs/dbraw/zinc/39/52/75/1302395275.db2.gz BASVMGJZMDWPRG-OAHLLOKOSA-N 1 2 347.378 2.255 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2nnc(C)n2C2CC2)CC1 ZINC001228750491 1302422094 /nfs/dbraw/zinc/42/20/94/1302422094.db2.gz ZXIXTRQWSWHIGT-ZIAGYGMSSA-N 1 2 345.491 2.460 20 30 EEEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(Br)cc(C#N)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229283382 1302709842 /nfs/dbraw/zinc/70/98/42/1302709842.db2.gz NSKQQWKLZRLQCT-ABWMFPBJSA-N 1 2 335.201 2.312 20 30 EEEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(Br)cc(C#N)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229283382 1302709849 /nfs/dbraw/zinc/70/98/49/1302709849.db2.gz NSKQQWKLZRLQCT-ABWMFPBJSA-N 1 2 335.201 2.312 20 30 EEEDLO CC[C@H](CNC(=O)CCc1[nH+]ccn1C)Nc1cccc(F)c1C#N ZINC001103397789 1302907184 /nfs/dbraw/zinc/90/71/84/1302907184.db2.gz SFPDQHGVXDUIHR-CYBMUJFWSA-N 1 2 343.406 2.370 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CN(C)C(=O)CC2CCCCC2)C1=O ZINC001230702551 1303401883 /nfs/dbraw/zinc/40/18/83/1303401883.db2.gz NJRSJABKXAESQZ-ZWKOTPCHSA-N 1 2 347.503 2.276 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CN(C)C(=O)CC2CCCCC2)C1=O ZINC001230702551 1303401885 /nfs/dbraw/zinc/40/18/85/1303401885.db2.gz NJRSJABKXAESQZ-ZWKOTPCHSA-N 1 2 347.503 2.276 20 30 EEEDLO C=C(Cl)C[N@@H+](CCCNC(=O)c1c[nH]nc1C)Cc1cccnc1 ZINC001230808188 1303474329 /nfs/dbraw/zinc/47/43/29/1303474329.db2.gz SWEIPYNXWHDHKZ-UHFFFAOYSA-N 1 2 347.850 2.488 20 30 EEEDLO C=C(Cl)C[N@H+](CCCNC(=O)c1c[nH]nc1C)Cc1cccnc1 ZINC001230808188 1303474332 /nfs/dbraw/zinc/47/43/32/1303474332.db2.gz SWEIPYNXWHDHKZ-UHFFFAOYSA-N 1 2 347.850 2.488 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cc(C)ns1 ZINC001231102978 1303632337 /nfs/dbraw/zinc/63/23/37/1303632337.db2.gz MBTSBCMKADXDRP-GJZGRUSLSA-N 1 2 337.489 2.465 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cc(C)ns1 ZINC001231102978 1303632341 /nfs/dbraw/zinc/63/23/41/1303632341.db2.gz MBTSBCMKADXDRP-GJZGRUSLSA-N 1 2 337.489 2.465 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H](C)CNc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001104208700 1303648206 /nfs/dbraw/zinc/64/82/06/1303648206.db2.gz GLNKCKTVECSNEB-CYBMUJFWSA-N 1 2 346.479 2.157 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)C[C@@H]1CCOC1 ZINC001231341863 1303743450 /nfs/dbraw/zinc/74/34/50/1303743450.db2.gz KAMSGKIMPJVCDK-DOTOQJQBSA-N 1 2 345.418 2.157 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)C[C@@H]1CCOC1 ZINC001231341863 1303743455 /nfs/dbraw/zinc/74/34/55/1303743455.db2.gz KAMSGKIMPJVCDK-DOTOQJQBSA-N 1 2 345.418 2.157 20 30 EEEDLO COC(=O)c1cccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)n1 ZINC001231428081 1303794025 /nfs/dbraw/zinc/79/40/25/1303794025.db2.gz QISONSFTPRDASW-UHFFFAOYSA-N 1 2 336.395 2.062 20 30 EEEDLO C[C@@H]1CCC[C@H](C)[C@@]12NC(=O)N(C[NH+]1CCC(CC#N)CC1)C2=O ZINC000781572562 1303821841 /nfs/dbraw/zinc/82/18/41/1303821841.db2.gz STRLMGPPDDIGHG-UOIKSKOESA-N 1 2 332.448 2.316 20 30 EEEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1nncn1C)C2 ZINC001111859092 1304010163 /nfs/dbraw/zinc/01/01/63/1304010163.db2.gz NPDWMBVWWVTLBJ-VKJFTORMSA-N 1 2 331.464 2.203 20 30 EEEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1nncn1C)C2 ZINC001111859092 1304010167 /nfs/dbraw/zinc/01/01/67/1304010167.db2.gz NPDWMBVWWVTLBJ-VKJFTORMSA-N 1 2 331.464 2.203 20 30 EEEDLO COCCOCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)c(C#N)c1 ZINC001277630521 1304040622 /nfs/dbraw/zinc/04/06/22/1304040622.db2.gz MPAAOKJXUZHSLA-CALCHBBNSA-N 1 2 349.862 2.481 20 30 EEEDLO COCCOCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)c(C#N)c1 ZINC001277630521 1304040627 /nfs/dbraw/zinc/04/06/27/1304040627.db2.gz MPAAOKJXUZHSLA-CALCHBBNSA-N 1 2 349.862 2.481 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC1(Nc2[nH+]cnc3c2cnn3C)CCC1 ZINC001111894218 1304064376 /nfs/dbraw/zinc/06/43/76/1304064376.db2.gz URJGBDKIDBOIKS-QGZVFWFLSA-N 1 2 342.447 2.416 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(C#N)s2)C[C@H](O)C1 ZINC001232844614 1304269253 /nfs/dbraw/zinc/26/92/53/1304269253.db2.gz XAKPLASASHYBHP-LBPRGKRZSA-N 1 2 337.445 2.033 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(C#N)s2)C[C@H](O)C1 ZINC001232844614 1304269260 /nfs/dbraw/zinc/26/92/60/1304269260.db2.gz XAKPLASASHYBHP-LBPRGKRZSA-N 1 2 337.445 2.033 20 30 EEEDLO C#CC[NH+]1CCN(Cc2cc(Cl)cnc2Br)CC1 ZINC001232963645 1304308208 /nfs/dbraw/zinc/30/82/08/1304308208.db2.gz VKKUUUGBSYUFNV-UHFFFAOYSA-N 1 2 328.641 2.248 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CCC(CC)(Nc2cc[nH+]c(C)n2)CC1 ZINC001112209510 1304335497 /nfs/dbraw/zinc/33/54/97/1304335497.db2.gz UZGYWKAQPWEHTM-AWEZNQCLSA-N 1 2 330.432 2.006 20 30 EEEDLO N#CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cccc[nH+]2)CCOCC1 ZINC001277752182 1304337436 /nfs/dbraw/zinc/33/74/36/1304337436.db2.gz FDKHRXYZQCVLDT-MQVJKMGUSA-N 1 2 340.427 2.018 20 30 EEEDLO N#Cc1cc[nH]c1C[NH+]1CCC(NC(=O)c2ccccc2F)CC1 ZINC001233046970 1304342167 /nfs/dbraw/zinc/34/21/67/1304342167.db2.gz BDDQMTNXNFVRNS-UHFFFAOYSA-N 1 2 326.375 2.420 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)C[C@](C)(O)C1CC1 ZINC001233779697 1304590117 /nfs/dbraw/zinc/59/01/17/1304590117.db2.gz GZPVKIGTKFMDJI-KSSFIOAISA-N 1 2 347.484 2.204 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)C[C@](C)(O)C1CC1 ZINC001233779697 1304590121 /nfs/dbraw/zinc/59/01/21/1304590121.db2.gz GZPVKIGTKFMDJI-KSSFIOAISA-N 1 2 347.484 2.204 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001233977267 1304664710 /nfs/dbraw/zinc/66/47/10/1304664710.db2.gz MQTFDPPPRWWGDH-ICSRJNTNSA-N 1 2 344.430 2.037 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001233977267 1304664714 /nfs/dbraw/zinc/66/47/14/1304664714.db2.gz MQTFDPPPRWWGDH-ICSRJNTNSA-N 1 2 344.430 2.037 20 30 EEEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCCCC(C)(C)C ZINC001234476934 1304937820 /nfs/dbraw/zinc/93/78/20/1304937820.db2.gz IOJLFZMKCJLOCZ-SJORKVTESA-N 1 2 349.519 2.264 20 30 EEEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCCCC(C)(C)C ZINC001234476934 1304937823 /nfs/dbraw/zinc/93/78/23/1304937823.db2.gz IOJLFZMKCJLOCZ-SJORKVTESA-N 1 2 349.519 2.264 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NCCC[N@@H+](C)Cc1nc(C(C)C)no1 ZINC001235245685 1305163226 /nfs/dbraw/zinc/16/32/26/1305163226.db2.gz NPFNZNXDDPBRFB-AWEZNQCLSA-N 1 2 338.452 2.112 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NCCC[N@H+](C)Cc1nc(C(C)C)no1 ZINC001235245685 1305163228 /nfs/dbraw/zinc/16/32/28/1305163228.db2.gz NPFNZNXDDPBRFB-AWEZNQCLSA-N 1 2 338.452 2.112 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2CC#N)CCO1 ZINC001235517583 1305262710 /nfs/dbraw/zinc/26/27/10/1305262710.db2.gz ZGXLTLMNXRVXMC-QGZVFWFLSA-N 1 2 345.443 2.478 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2CC#N)CCO1 ZINC001235517583 1305262717 /nfs/dbraw/zinc/26/27/17/1305262717.db2.gz ZGXLTLMNXRVXMC-QGZVFWFLSA-N 1 2 345.443 2.478 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(F)c(C)cc1F ZINC001235570276 1305284748 /nfs/dbraw/zinc/28/47/48/1305284748.db2.gz NWJPXTDEOJGRHQ-CQSZACIVSA-N 1 2 336.382 2.069 20 30 EEEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(F)c(C)cc1F ZINC001235570276 1305284754 /nfs/dbraw/zinc/28/47/54/1305284754.db2.gz NWJPXTDEOJGRHQ-CQSZACIVSA-N 1 2 336.382 2.069 20 30 EEEDLO C=C(C)CCC(=O)N(C)[C@@H](CNc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001115543892 1305312421 /nfs/dbraw/zinc/31/24/21/1305312421.db2.gz 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C=CCC1(C(=O)NC[C@H](CO)Nc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC001122465079 1310296240 /nfs/dbraw/zinc/29/62/40/1310296240.db2.gz DRPZVVKNRXEVCS-OAHLLOKOSA-N 1 2 344.459 2.298 20 30 EEEDLO COc1ccc(C[N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c(C#N)c1 ZINC001137703815 1314480804 /nfs/dbraw/zinc/48/08/04/1314480804.db2.gz VQJAFTYHOCLWGP-IPMKNSEASA-N 1 2 328.412 2.193 20 30 EEEDLO COc1ccc(C[N@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)c(C#N)c1 ZINC001137703815 1314480806 /nfs/dbraw/zinc/48/08/06/1314480806.db2.gz VQJAFTYHOCLWGP-IPMKNSEASA-N 1 2 328.412 2.193 20 30 EEEDLO CC(C)C#CC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000831498123 1314595389 /nfs/dbraw/zinc/59/53/89/1314595389.db2.gz MOWYYMXJJQGAEI-SJLPKXTDSA-N 1 2 334.847 2.487 20 30 EEEDLO CC(C)C#CC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000831498123 1314595394 /nfs/dbraw/zinc/59/53/94/1314595394.db2.gz MOWYYMXJJQGAEI-SJLPKXTDSA-N 1 2 334.847 2.487 20 30 EEEDLO CCc1nc(C[NH2+][C@@H]2C[C@H](NC(=O)C#CC(C)(C)C)C23CCC3)no1 ZINC001202920683 1314728804 /nfs/dbraw/zinc/72/88/04/1314728804.db2.gz NXVSXQQNXGNDFN-KGLIPLIRSA-N 1 2 344.459 2.199 20 30 EEEDLO CC(C)[C@@H]1N(C[N@H+](C)Cc2cccc(C#N)c2)C(=O)[C@]12CCCO2 ZINC000839959035 1315265134 /nfs/dbraw/zinc/26/51/34/1315265134.db2.gz IYGZMOVCLAKAQI-HKUYNNGSSA-N 1 2 327.428 2.364 20 30 EEEDLO CC(C)[C@@H]1N(C[N@@H+](C)Cc2cccc(C#N)c2)C(=O)[C@]12CCCO2 ZINC000839959035 1315265137 /nfs/dbraw/zinc/26/51/37/1315265137.db2.gz IYGZMOVCLAKAQI-HKUYNNGSSA-N 1 2 327.428 2.364 20 30 EEEDLO CSc1nc(C[N@@H+]2CC[C@H](Oc3nccc(C)n3)C2)ccc1C#N ZINC001141945488 1315395849 /nfs/dbraw/zinc/39/58/49/1315395849.db2.gz APOLOBQRYREBJG-HNNXBMFYSA-N 1 2 341.440 2.427 20 30 EEEDLO CSc1nc(C[N@H+]2CC[C@H](Oc3nccc(C)n3)C2)ccc1C#N ZINC001141945488 1315395853 /nfs/dbraw/zinc/39/58/53/1315395853.db2.gz APOLOBQRYREBJG-HNNXBMFYSA-N 1 2 341.440 2.427 20 30 EEEDLO Cc1nn(-c2ccccn2)c(Cl)c1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000843424978 1315912303 /nfs/dbraw/zinc/91/23/03/1315912303.db2.gz 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C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2cccc(F)c2)C1 ZINC001150686259 1316343910 /nfs/dbraw/zinc/34/39/10/1316343910.db2.gz YVXPHEXMPFVQCV-INIZCTEOSA-N 1 2 340.826 2.328 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2cccc(F)c2)C1 ZINC001150686259 1316343913 /nfs/dbraw/zinc/34/39/13/1316343913.db2.gz YVXPHEXMPFVQCV-INIZCTEOSA-N 1 2 340.826 2.328 20 30 EEEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1snnc1C ZINC001151819644 1316592300 /nfs/dbraw/zinc/59/23/00/1316592300.db2.gz OLIYGDJPCONLSY-SECBINFHSA-N 1 2 347.282 2.195 20 30 EEEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1snnc1C ZINC001151819644 1316592302 /nfs/dbraw/zinc/59/23/02/1316592302.db2.gz OLIYGDJPCONLSY-SECBINFHSA-N 1 2 347.282 2.195 20 30 EEEDLO N#Cc1ccccc1N1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001151963965 1316614453 /nfs/dbraw/zinc/61/44/53/1316614453.db2.gz VMHSRSRRWPUHRS-UHFFFAOYSA-N 1 2 331.379 2.397 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC001152130416 1316635868 /nfs/dbraw/zinc/63/58/68/1316635868.db2.gz 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N#CCCN1CC[NH+](Cc2c[nH]c3nc(Cl)nc(Cl)c23)CC1 ZINC001249469884 1317094517 /nfs/dbraw/zinc/09/45/17/1317094517.db2.gz ZOSPPDDLDLRRRK-UHFFFAOYSA-N 1 2 339.230 2.248 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncc(C)cn1 ZINC001154477854 1317153185 /nfs/dbraw/zinc/15/31/85/1317153185.db2.gz XNDWYQIVRUASDA-VQIMIIECSA-N 1 2 348.491 2.340 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncc(C)cn1 ZINC001154477854 1317153187 /nfs/dbraw/zinc/15/31/87/1317153187.db2.gz XNDWYQIVRUASDA-VQIMIIECSA-N 1 2 348.491 2.340 20 30 EEEDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1[C@H]1CC[C@H](C#N)C1 ZINC001254677245 1318166103 /nfs/dbraw/zinc/16/61/03/1318166103.db2.gz RLHQKKWHRZLWLX-GBESFXJTSA-N 1 2 341.455 2.428 20 30 EEEDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1[C@H]1CC[C@H](C#N)C1 ZINC001254677245 1318166105 /nfs/dbraw/zinc/16/61/05/1318166105.db2.gz RLHQKKWHRZLWLX-GBESFXJTSA-N 1 2 341.455 2.428 20 30 EEEDLO CCN(C1C[NH+](C)C1)C(F)(F)c1cc(OC)nc(Cl)c1C#N ZINC001157456856 1318649783 /nfs/dbraw/zinc/64/97/83/1318649783.db2.gz WITHJDFAWLFREP-UHFFFAOYSA-N 1 2 330.766 2.300 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)C#N ZINC001157695613 1318801913 /nfs/dbraw/zinc/80/19/13/1318801913.db2.gz HJNFUYSIIIEMRC-WCQYABFASA-N 1 2 328.254 2.368 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)C#N ZINC001157695613 1318801925 /nfs/dbraw/zinc/80/19/25/1318801925.db2.gz HJNFUYSIIIEMRC-WCQYABFASA-N 1 2 328.254 2.368 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1C ZINC001206662736 1318875902 /nfs/dbraw/zinc/87/59/02/1318875902.db2.gz RZPDOFKRCXQLCS-IIAWOOMASA-N 1 2 338.411 2.438 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1C ZINC001206662736 1318875913 /nfs/dbraw/zinc/87/59/13/1318875913.db2.gz RZPDOFKRCXQLCS-IIAWOOMASA-N 1 2 338.411 2.438 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2cc(-c3cccs3)on2)C[C@H]1C ZINC001206662815 1318878438 /nfs/dbraw/zinc/87/84/38/1318878438.db2.gz 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1371871665 /nfs/dbraw/zinc/87/16/65/1371871665.db2.gz HUCZOVGGEGVNTL-OAHLLOKOSA-N 1 2 349.442 2.389 20 30 EEEDLO C=CC[C@H]1CCCN(c2nnc([C@H]3C[N@H+](C(C)C)CCO3)n2C)C1 ZINC001121525965 1371892330 /nfs/dbraw/zinc/89/23/30/1371892330.db2.gz SNCHBXWYXVTDJW-JKSUJKDBSA-N 1 2 333.480 2.389 20 30 EEEDLO C=CC[C@H]1CCCN(c2nnc([C@H]3C[N@@H+](C(C)C)CCO3)n2C)C1 ZINC001121525965 1371892336 /nfs/dbraw/zinc/89/23/36/1371892336.db2.gz SNCHBXWYXVTDJW-JKSUJKDBSA-N 1 2 333.480 2.389 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001123867141 1372192409 /nfs/dbraw/zinc/19/24/09/1372192409.db2.gz MQBKKPGPNBRJIJ-STQMWFEESA-N 1 2 342.447 2.272 20 30 EEEDLO C#CC[NH+](CC#C)Cc1ccc(F)c(I)c1 ZINC001139515321 1372509931 /nfs/dbraw/zinc/50/99/31/1372509931.db2.gz NGAFGHXSXYZSCH-UHFFFAOYSA-N 1 2 327.140 2.499 20 30 EEEDLO C=CC(C)(C)Cc1nnc(N(C)CC[NH+]2CCOCC2)n1CC1CC1 ZINC001345187919 1372969080 /nfs/dbraw/zinc/96/90/80/1372969080.db2.gz KIASVXPCQDELKN-UHFFFAOYSA-N 1 2 347.507 2.211 20 30 EEEDLO CC(C)CCC(=O)NCCN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001365951939 1373782748 /nfs/dbraw/zinc/78/27/48/1373782748.db2.gz JFHTVUVINAYRAL-UHFFFAOYSA-N 1 2 348.516 2.290 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)C(F)C(F)(F)F ZINC001367510061 1374189543 /nfs/dbraw/zinc/18/95/43/1374189543.db2.gz BPMXQVHHDDRPDP-CYBMUJFWSA-N 1 2 331.313 2.349 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)C(F)C(F)(F)F ZINC001367510061 1374189550 /nfs/dbraw/zinc/18/95/50/1374189550.db2.gz BPMXQVHHDDRPDP-CYBMUJFWSA-N 1 2 331.313 2.349 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)[C@@H](F)C(F)(F)F ZINC001367510061 1374189555 /nfs/dbraw/zinc/18/95/55/1374189555.db2.gz BPMXQVHHDDRPDP-CYBMUJFWSA-N 1 2 331.313 2.349 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)[C@@H](F)C(F)(F)F ZINC001367510061 1374189556 /nfs/dbraw/zinc/18/95/56/1374189556.db2.gz BPMXQVHHDDRPDP-CYBMUJFWSA-N 1 2 331.313 2.349 20 30 EEEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1nn(C)cc1C ZINC001372708969 1376157818 /nfs/dbraw/zinc/15/78/18/1376157818.db2.gz VVSBKYFZUJWAGO-UHFFFAOYSA-N 1 2 343.269 2.079 20 30 EEEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1nn(C)cc1C ZINC001372708969 1376157819 /nfs/dbraw/zinc/15/78/19/1376157819.db2.gz VVSBKYFZUJWAGO-UHFFFAOYSA-N 1 2 343.269 2.079 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cn(CC(F)F)nc1C)C1CC1 ZINC001372809274 1376220289 /nfs/dbraw/zinc/22/02/89/1376220289.db2.gz XENAZTRYBABZST-UHFFFAOYSA-N 1 2 346.809 2.403 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cn(CC(F)F)nc1C)C1CC1 ZINC001372809274 1376220294 /nfs/dbraw/zinc/22/02/94/1376220294.db2.gz XENAZTRYBABZST-UHFFFAOYSA-N 1 2 346.809 2.403 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1cn2ccccc2n1)C1CC1 ZINC001372832843 1376234738 /nfs/dbraw/zinc/23/47/38/1376234738.db2.gz KBGUKBTVAFEFLD-UHFFFAOYSA-N 1 2 332.835 2.210 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1cn2ccccc2n1)C1CC1 ZINC001372832843 1376234740 /nfs/dbraw/zinc/23/47/40/1376234740.db2.gz KBGUKBTVAFEFLD-UHFFFAOYSA-N 1 2 332.835 2.210 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)Cc2cccnc2)C1 ZINC001375820496 1378028626 /nfs/dbraw/zinc/02/86/26/1378028626.db2.gz LGQBNXFZJDFIOS-OAHLLOKOSA-N 1 2 338.249 2.113 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2cccnc2)C1 ZINC001375820496 1378028627 /nfs/dbraw/zinc/02/86/27/1378028627.db2.gz LGQBNXFZJDFIOS-OAHLLOKOSA-N 1 2 338.249 2.113 20 30 EEEDLO CC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1ncc(-c2ccccc2)o1 ZINC001377290952 1379109494 /nfs/dbraw/zinc/10/94/94/1379109494.db2.gz BQRBAFAUTZTHTF-CQSZACIVSA-N 1 2 326.400 2.439 20 30 EEEDLO CC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1ncc(-c2ccccc2)o1 ZINC001377290952 1379109495 /nfs/dbraw/zinc/10/94/95/1379109495.db2.gz BQRBAFAUTZTHTF-CQSZACIVSA-N 1 2 326.400 2.439 20 30 EEEDLO C[C@](O)(CC(=O)NCC[N@H+](Cc1ccccc1C#N)C1CC1)C1CC1 ZINC001377525037 1379334134 /nfs/dbraw/zinc/33/41/34/1379334134.db2.gz UENKVMCYAAXCGB-FQEVSTJZSA-N 1 2 341.455 2.190 20 30 EEEDLO C[C@](O)(CC(=O)NCC[N@@H+](Cc1ccccc1C#N)C1CC1)C1CC1 ZINC001377525037 1379334138 /nfs/dbraw/zinc/33/41/38/1379334138.db2.gz UENKVMCYAAXCGB-FQEVSTJZSA-N 1 2 341.455 2.190 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](OC)c2cccc(OC)c2)C1 ZINC001377982658 1379615252 /nfs/dbraw/zinc/61/52/52/1379615252.db2.gz FYHHLPFCNOLNQO-MRXNPFEDSA-N 1 2 338.835 2.183 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)COc2ccccc2F)C1 ZINC001378200950 1379780749 /nfs/dbraw/zinc/78/07/49/1379780749.db2.gz PFFIECRMRSAXDJ-CYBMUJFWSA-N 1 2 326.799 2.490 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccccc2F)C1 ZINC001378200950 1379780751 /nfs/dbraw/zinc/78/07/51/1379780751.db2.gz PFFIECRMRSAXDJ-CYBMUJFWSA-N 1 2 326.799 2.490 20 30 EEEDLO CO[C@H](C)CCC(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001379038734 1380415088 /nfs/dbraw/zinc/41/50/88/1380415088.db2.gz DWPPETYRCYVFNW-CQSZACIVSA-N 1 2 335.423 2.403 20 30 EEEDLO CO[C@H](C)CCC(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001379038734 1380415091 /nfs/dbraw/zinc/41/50/91/1380415091.db2.gz DWPPETYRCYVFNW-CQSZACIVSA-N 1 2 335.423 2.403 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC001391008775 1388964507 /nfs/dbraw/zinc/96/45/07/1388964507.db2.gz NLBCCWKAXFVUNM-UHFFFAOYSA-N 1 2 337.851 2.193 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC001391008775 1388964510 /nfs/dbraw/zinc/96/45/10/1388964510.db2.gz NLBCCWKAXFVUNM-UHFFFAOYSA-N 1 2 337.851 2.193 20 30 EEEDLO COCC[N@H+](CCNC(=O)c1coc(C)c1)Cc1ccccc1C#N ZINC001394826862 1390754875 /nfs/dbraw/zinc/75/48/75/1390754875.db2.gz CPMYUMAGDGHGQS-UHFFFAOYSA-N 1 2 341.411 2.338 20 30 EEEDLO COCC[N@@H+](CCNC(=O)c1coc(C)c1)Cc1ccccc1C#N ZINC001394826862 1390754879 /nfs/dbraw/zinc/75/48/79/1390754879.db2.gz CPMYUMAGDGHGQS-UHFFFAOYSA-N 1 2 341.411 2.338 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1C[N@H+](Cc2cc3n(n2)CCC3)CC1(C)C ZINC001755409850 1407421971 /nfs/dbraw/zinc/42/19/71/1407421971.db2.gz GHUMKPOOOJUCRO-INIZCTEOSA-N 1 2 330.476 2.368 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1C[N@@H+](Cc2cc3n(n2)CCC3)CC1(C)C ZINC001755409850 1407421976 /nfs/dbraw/zinc/42/19/76/1407421976.db2.gz GHUMKPOOOJUCRO-INIZCTEOSA-N 1 2 330.476 2.368 20 30 EEEDLO Cn1ncc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)c1C1CC1 ZINC001399657928 1395368466 /nfs/dbraw/zinc/36/84/66/1395368466.db2.gz XJLSYJQUCQGOQK-UHFFFAOYSA-N 1 2 337.427 2.031 20 30 EEEDLO Cn1ncc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)c1C1CC1 ZINC001399657928 1395368475 /nfs/dbraw/zinc/36/84/75/1395368475.db2.gz XJLSYJQUCQGOQK-UHFFFAOYSA-N 1 2 337.427 2.031 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cccnc1-n1cccn1)C1CC1 ZINC001400010343 1395806637 /nfs/dbraw/zinc/80/66/37/1395806637.db2.gz FPRWHLHRINSRRI-UHFFFAOYSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cccnc1-n1cccn1)C1CC1 ZINC001400010343 1395806647 /nfs/dbraw/zinc/80/66/47/1395806647.db2.gz FPRWHLHRINSRRI-UHFFFAOYSA-N 1 2 345.834 2.214 20 30 EEEDLO C[C@H](C#N)C(=O)NCC1C[NH+](Cc2ccc(Br)s2)C1 ZINC001400459995 1396358902 /nfs/dbraw/zinc/35/89/02/1396358902.db2.gz CJMBHWKGZGZDBL-SECBINFHSA-N 1 2 342.262 2.218 20 30 EEEDLO CC(C)c1cnc(C[NH2+]C2(CNC(=O)c3cc(C#N)c[nH]3)CCC2)o1 ZINC001402552149 1398054873 /nfs/dbraw/zinc/05/48/73/1398054873.db2.gz XRBARVYULDOKPO-UHFFFAOYSA-N 1 2 341.415 2.440 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccnc(-n2ccnc2)c1 ZINC001403201569 1398481010 /nfs/dbraw/zinc/48/10/10/1398481010.db2.gz KWNQPCZXHALLIK-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccnc(-n2ccnc2)c1 ZINC001403201569 1398481014 /nfs/dbraw/zinc/48/10/14/1398481014.db2.gz KWNQPCZXHALLIK-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+](C)C[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001422794128 1400202450 /nfs/dbraw/zinc/20/24/50/1400202450.db2.gz IFHXSORTJQZETB-LBPRGKRZSA-N 1 2 329.404 2.248 20 30 EEEDLO CC(C)c1ocnc1C[N@H+](C)C[C@H](C)NC(=O)c1cc(C#N)c[nH]1 ZINC001422794128 1400202451 /nfs/dbraw/zinc/20/24/51/1400202451.db2.gz IFHXSORTJQZETB-LBPRGKRZSA-N 1 2 329.404 2.248 20 30 EEEDLO C#CCCCCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001755113414 1407123822 /nfs/dbraw/zinc/12/38/22/1407123822.db2.gz HAYLGQQWOSABMQ-ZBFHGGJFSA-N 1 2 344.459 2.467 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1cc(OC)ccc1OC ZINC001424960370 1401338119 /nfs/dbraw/zinc/33/81/19/1401338119.db2.gz GODGWDNDQYGTTK-CYBMUJFWSA-N 1 2 340.851 2.435 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1cc(OC)ccc1OC ZINC001424960370 1401338123 /nfs/dbraw/zinc/33/81/23/1401338123.db2.gz GODGWDNDQYGTTK-CYBMUJFWSA-N 1 2 340.851 2.435 20 30 EEEDLO N#Cc1nc(NC(=O)NCc2ccc(N)[nH+]c2)ccc1Br ZINC001426070920 1401874975 /nfs/dbraw/zinc/87/49/75/1401874975.db2.gz CATWHWUOAMNNCB-UHFFFAOYSA-N 1 2 347.176 2.015 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@H+](C)CC(=O)Nc1nccs1 ZINC001755315004 1407312992 /nfs/dbraw/zinc/31/29/92/1407312992.db2.gz JWGMPJCOGRJUFQ-WBMJQRKESA-N 1 2 338.477 2.120 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)Nc1nccs1 ZINC001755315004 1407313001 /nfs/dbraw/zinc/31/30/01/1407313001.db2.gz JWGMPJCOGRJUFQ-WBMJQRKESA-N 1 2 338.477 2.120 20 30 EEEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001755392549 1407399804 /nfs/dbraw/zinc/39/98/04/1407399804.db2.gz VTNVGGYFOYRBNX-OXQOHEQNSA-N 1 2 347.503 2.252 20 30 EEEDLO Cc1cnc(C[N@@H+]2C[C@@H](NC(=O)CSCC#N)C(C)(C)C2)s1 ZINC001755405799 1407413875 /nfs/dbraw/zinc/41/38/75/1407413875.db2.gz MOMZZCGTSWDSOT-GFCCVEGCSA-N 1 2 338.502 2.035 20 30 EEEDLO Cc1cnc(C[N@H+]2C[C@@H](NC(=O)CSCC#N)C(C)(C)C2)s1 ZINC001755405799 1407413878 /nfs/dbraw/zinc/41/38/78/1407413878.db2.gz MOMZZCGTSWDSOT-GFCCVEGCSA-N 1 2 338.502 2.035 20 30 EEEDLO CN(C)c1ncccc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC001645973715 1404872249 /nfs/dbraw/zinc/87/22/49/1404872249.db2.gz PIPNRFNVBBXWTG-UHFFFAOYSA-N 1 2 327.457 2.403 20 30 EEEDLO C#CCN(C(=O)[C@H]1C[C@@H]1C)C1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC001716809761 1405699110 /nfs/dbraw/zinc/69/91/10/1405699110.db2.gz RERSDIJFRVNXLY-GUYCJALGSA-N 1 2 329.444 2.374 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C(C)C)[nH]3)C[C@H]21 ZINC001755431877 1407448677 /nfs/dbraw/zinc/44/86/77/1407448677.db2.gz OEKGXKQUIJRZEI-BKEDOTJMSA-N 1 2 345.491 2.324 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nnc(C(C)C)[nH]3)C[C@H]21 ZINC001755431877 1407448682 /nfs/dbraw/zinc/44/86/82/1407448682.db2.gz OEKGXKQUIJRZEI-BKEDOTJMSA-N 1 2 345.491 2.324 20 30 EEEDLO C#CCCCCC(=O)N1C[C@H]([NH2+]Cc2nn(C)cc2Cl)C[C@H]1C ZINC001755677246 1407724088 /nfs/dbraw/zinc/72/40/88/1407724088.db2.gz YSQZJWMCXJKMON-ZIAGYGMSSA-N 1 2 336.867 2.346 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)/C(C)=C/CC ZINC001755798543 1407852720 /nfs/dbraw/zinc/85/27/20/1407852720.db2.gz WKMFHHFSVKXWFN-SVTZGKHISA-N 1 2 333.270 2.002 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@@H](O)CN(C)C(=O)/C(C)=C/CC ZINC001755798543 1407852726 /nfs/dbraw/zinc/85/27/26/1407852726.db2.gz WKMFHHFSVKXWFN-SVTZGKHISA-N 1 2 333.270 2.002 20 30 EEEDLO C=CCCCC(=O)N(C)C[C@@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001755917317 1407991209 /nfs/dbraw/zinc/99/12/09/1407991209.db2.gz 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C#CCCCC(=O)NC[C@H]1CCCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001756121455 1408152746 /nfs/dbraw/zinc/15/27/46/1408152746.db2.gz IEJSRAZMFWUFIB-QGZVFWFLSA-N 1 2 344.459 2.033 20 30 EEEDLO C=CCCCC(=O)N1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001756181443 1408205386 /nfs/dbraw/zinc/20/53/86/1408205386.db2.gz IVAUGIZFYWTSNS-HNNXBMFYSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCCC(=O)N1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001756181443 1408205390 /nfs/dbraw/zinc/20/53/90/1408205390.db2.gz IVAUGIZFYWTSNS-HNNXBMFYSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001756222564 1408230960 /nfs/dbraw/zinc/23/09/60/1408230960.db2.gz GOIILZWILKYVQX-HRCADAONSA-N 1 2 344.459 2.052 20 30 EEEDLO C=CCCC(=O)N[C@H](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001756390403 1408406273 /nfs/dbraw/zinc/40/62/73/1408406273.db2.gz KKRYQYPYTQQSOY-NVXWUHKLSA-N 1 2 346.475 2.059 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001756479552 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/nfs/dbraw/zinc/56/82/51/1409568251.db2.gz WPFAPESSFKRPRL-IIAWOOMASA-N 1 2 346.475 2.154 20 30 EEEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001115164480 1410981270 /nfs/dbraw/zinc/98/12/70/1410981270.db2.gz XKRYQPQHBNKOBN-VQFNDLOPSA-N 1 2 333.480 2.112 20 30 EEEDLO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001115164480 1410981276 /nfs/dbraw/zinc/98/12/76/1410981276.db2.gz XKRYQPQHBNKOBN-VQFNDLOPSA-N 1 2 333.480 2.112 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC000946236349 790263237 /nfs/dbraw/zinc/26/32/37/790263237.db2.gz IJLZPFLFBHYNTF-SJORKVTESA-N 1 2 344.459 2.031 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2noc3c2COCC3)[C@H]1CC ZINC001087836291 782339624 /nfs/dbraw/zinc/33/96/24/782339624.db2.gz MLDHDZBDHIHJQS-QWHCGFSZSA-N 1 2 339.823 2.083 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2noc3c2COCC3)[C@H]1CC ZINC001087836291 782339631 /nfs/dbraw/zinc/33/96/31/782339631.db2.gz MLDHDZBDHIHJQS-QWHCGFSZSA-N 1 2 339.823 2.083 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001111981980 761924903 /nfs/dbraw/zinc/92/49/03/761924903.db2.gz SXMAESAXJKSVFZ-MRXNPFEDSA-N 1 2 332.448 2.080 20 30 EEEDLO C#Cc1ccccc1CC(=O)NCC[NH2+]Cc1nc(C(C)C)ns1 ZINC001149131017 757201236 /nfs/dbraw/zinc/20/12/36/757201236.db2.gz SGVCAMJHHGEPHO-UHFFFAOYSA-N 1 2 342.468 2.091 20 30 EEEDLO C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)CNc1cccc(F)c1C#N ZINC001104233628 757368073 /nfs/dbraw/zinc/36/80/73/757368073.db2.gz CNJNXUPIBLQPRU-OLZOCXBDSA-N 1 2 343.406 2.463 20 30 EEEDLO C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)CNc1cccc(F)c1C#N ZINC001104233628 757368083 /nfs/dbraw/zinc/36/80/83/757368083.db2.gz CNJNXUPIBLQPRU-OLZOCXBDSA-N 1 2 343.406 2.463 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@@H](C)C1 ZINC001112487261 757969524 /nfs/dbraw/zinc/96/95/24/757969524.db2.gz KNLSBMVKDJJWRP-KBPBESRZSA-N 1 2 342.447 2.193 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CCO1 ZINC001104349351 759635036 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CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C(CCC)CCC)C2)nn1 ZINC001098710712 782621564 /nfs/dbraw/zinc/62/15/64/782621564.db2.gz KBEOOAOZYFXHGR-SFHVURJKSA-N 1 2 345.491 2.381 20 30 EEEDLO Cc1ncoc1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001031598822 770025151 /nfs/dbraw/zinc/02/51/51/770025151.db2.gz QQBDCRDFYXHPKQ-UHFFFAOYSA-N 1 2 343.814 2.350 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CN(c2cc[nH+]c(C)n2)CCCO1 ZINC001089558570 770339631 /nfs/dbraw/zinc/33/96/31/770339631.db2.gz RBGBJGNIBZGUSD-OAHLLOKOSA-N 1 2 332.448 2.099 20 30 EEEDLO Cc1csc(C[N@@H+]2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001027833963 773218911 /nfs/dbraw/zinc/21/89/11/773218911.db2.gz WSRGJHLGJZOATE-AWEZNQCLSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1csc(C[N@H+]2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001027833963 773218912 /nfs/dbraw/zinc/21/89/12/773218912.db2.gz WSRGJHLGJZOATE-AWEZNQCLSA-N 1 2 329.429 2.046 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2cc(C)ccc2F)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212255859 773349495 /nfs/dbraw/zinc/34/94/95/773349495.db2.gz RRKUDTKGQGYYGS-QZTJIDSGSA-N 1 2 346.446 2.499 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2cc(C)ccc2F)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212255859 773349500 /nfs/dbraw/zinc/34/95/00/773349500.db2.gz RRKUDTKGQGYYGS-QZTJIDSGSA-N 1 2 346.446 2.499 20 30 EEEDLO CC[C@H]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)O1 ZINC001031709652 773540903 /nfs/dbraw/zinc/54/09/03/773540903.db2.gz WUQKOUXTRXUJKU-WMZOPIPTSA-N 1 2 345.418 2.203 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cncn2-c2ccccc2)C1 ZINC001031732462 773975921 /nfs/dbraw/zinc/97/59/21/773975921.db2.gz MKZZUORKONXJOX-UHFFFAOYSA-N 1 2 330.819 2.286 20 30 EEEDLO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]nc2c1CCCC2 ZINC001089663312 774068269 /nfs/dbraw/zinc/06/82/69/774068269.db2.gz MMIPOVDLRSZNJZ-AWEZNQCLSA-N 1 2 328.460 2.142 20 30 EEEDLO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]nc2c1CCCC2 ZINC001089663312 774068273 /nfs/dbraw/zinc/06/82/73/774068273.db2.gz MMIPOVDLRSZNJZ-AWEZNQCLSA-N 1 2 328.460 2.142 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccn(CC)n1 ZINC001027937253 774705592 /nfs/dbraw/zinc/70/55/92/774705592.db2.gz QGIOQTKZKJCPPR-QGZVFWFLSA-N 1 2 341.459 2.285 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccn(CC)n1 ZINC001027937253 774705594 /nfs/dbraw/zinc/70/55/94/774705594.db2.gz QGIOQTKZKJCPPR-QGZVFWFLSA-N 1 2 341.459 2.285 20 30 EEEDLO CCO[C@H]1C[C@@H]1C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000980748304 775423665 /nfs/dbraw/zinc/42/36/65/775423665.db2.gz HGHVRHCLPUUGQW-OALUTQOASA-N 1 2 344.430 2.137 20 30 EEEDLO CCO[C@H]1C[C@@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000980748304 775423669 /nfs/dbraw/zinc/42/36/69/775423669.db2.gz HGHVRHCLPUUGQW-OALUTQOASA-N 1 2 344.430 2.137 20 30 EEEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CCCCC(C)(C)C)[C@H](OC)C1 ZINC001212322829 775712991 /nfs/dbraw/zinc/71/29/91/775712991.db2.gz KDEYCJSDQZYFHG-IAGOWNOFSA-N 1 2 338.492 2.058 20 30 EEEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CCCCC(C)(C)C)[C@H](OC)C1 ZINC001212322829 775713004 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Cc1nc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)co1 ZINC000981033151 776371375 /nfs/dbraw/zinc/37/13/75/776371375.db2.gz HQRXLTZEJWGXBU-UHFFFAOYSA-N 1 2 342.374 2.342 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001091369024 790463345 /nfs/dbraw/zinc/46/33/45/790463345.db2.gz IZOACEYOUITDOP-HRCADAONSA-N 1 2 344.459 2.253 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccns2)CC1 ZINC000981189796 776751494 /nfs/dbraw/zinc/75/14/94/776751494.db2.gz GLHWEBHJBRWYNN-CVEARBPZSA-N 1 2 335.473 2.159 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccns2)CC1 ZINC000981189796 776751497 /nfs/dbraw/zinc/75/14/97/776751497.db2.gz GLHWEBHJBRWYNN-CVEARBPZSA-N 1 2 335.473 2.159 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cncc(OC)n2)CC1 ZINC001028117685 778064131 /nfs/dbraw/zinc/06/41/31/778064131.db2.gz RWPZTOLUOPXXTA-KRWDZBQOSA-N 1 2 344.459 2.312 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cncc(OC)n2)CC1 ZINC001028117685 778064141 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EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)c(Cl)c2)[C@H](O)C1 ZINC001090532091 785834858 /nfs/dbraw/zinc/83/48/58/785834858.db2.gz QZOVHZGPHWBTJV-ZIAGYGMSSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC/C=C/CNc1nc(C)[nH+]c2c1CCCC2 ZINC001107148313 786108719 /nfs/dbraw/zinc/10/87/19/786108719.db2.gz GQBGDDWPWUDNGG-UCFODXPJSA-N 1 2 344.459 2.075 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCc1cn(C2C[NH+](CC=C(C)C)C2)nn1 ZINC001107198494 786363470 /nfs/dbraw/zinc/36/34/70/786363470.db2.gz JDKGXESKWVTWKE-HNNXBMFYSA-N 1 2 331.464 2.320 20 30 EEEDLO C=C1CC(C)(C(=O)NCc2cn(C3C[NH+](CC=C(C)C)C3)nn2)C1 ZINC001107211277 786411877 /nfs/dbraw/zinc/41/18/77/786411877.db2.gz OZGJKCBZHCCIKA-UHFFFAOYSA-N 1 2 329.448 2.074 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2CC[NH+](Cc3cnns3)CC2)cc1 ZINC001005805905 786648344 /nfs/dbraw/zinc/64/83/44/786648344.db2.gz RQNOLZPWXZQPNQ-UHFFFAOYSA-N 1 2 340.452 2.256 20 30 EEEDLO Cc1cc(N(C)C[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001062096061 787377184 /nfs/dbraw/zinc/37/71/84/787377184.db2.gz GFABMLDAXQFDID-JSGCOSHPSA-N 1 2 327.432 2.107 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnc(C)cn1 ZINC001109625225 805786179 /nfs/dbraw/zinc/78/61/79/805786179.db2.gz UTDKDRKJFQAELO-SQNIBIBYSA-N 1 2 326.444 2.200 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnc(C)cn1 ZINC001109625225 805786185 /nfs/dbraw/zinc/78/61/85/805786185.db2.gz UTDKDRKJFQAELO-SQNIBIBYSA-N 1 2 326.444 2.200 20 30 EEEDLO C[C@@]1(CNC(=O)CC2CC2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107681972 788031372 /nfs/dbraw/zinc/03/13/72/788031372.db2.gz PAZFVKQNUNHKSH-LJQANCHMSA-N 1 2 327.428 2.065 20 30 EEEDLO C[C@@]1(CNC(=O)CC2CC2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107681972 788031375 /nfs/dbraw/zinc/03/13/75/788031375.db2.gz PAZFVKQNUNHKSH-LJQANCHMSA-N 1 2 327.428 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(F)cccc2Cl)[C@H](O)C1 ZINC001090751559 788067017 /nfs/dbraw/zinc/06/70/17/788067017.db2.gz GDKUJCWUXRZKDR-QWHCGFSZSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(F)cccc2Cl)[C@H](O)C1 ZINC001090751559 788067021 /nfs/dbraw/zinc/06/70/21/788067021.db2.gz GDKUJCWUXRZKDR-QWHCGFSZSA-N 1 2 347.217 2.397 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001108166588 788445234 /nfs/dbraw/zinc/44/52/34/788445234.db2.gz CWLMGKZYJJTYCY-QGZVFWFLSA-N 1 2 338.810 2.323 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001108166588 788445245 /nfs/dbraw/zinc/44/52/45/788445245.db2.gz CWLMGKZYJJTYCY-QGZVFWFLSA-N 1 2 338.810 2.323 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060783485 788454718 /nfs/dbraw/zinc/45/47/18/788454718.db2.gz IBWYGLGJHYKDOR-VGWMRTNUSA-N 1 2 346.475 2.202 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H](N(C)C(=O)CCc2[nH+]ccn2C)CC1 ZINC001079022890 788487637 /nfs/dbraw/zinc/48/76/37/788487637.db2.gz AISRDNZQYXSGSB-INIZCTEOSA-N 1 2 346.475 2.158 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2nc(C(C)C)oc2C)[C@@H](O)C1 ZINC001090267032 788730145 /nfs/dbraw/zinc/73/01/45/788730145.db2.gz YXNWXOSBLSQKRP-OLZOCXBDSA-N 1 2 341.839 2.024 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2nc(C(C)C)oc2C)[C@@H](O)C1 ZINC001090267032 788730150 /nfs/dbraw/zinc/73/01/50/788730150.db2.gz YXNWXOSBLSQKRP-OLZOCXBDSA-N 1 2 341.839 2.024 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)/C=C/c2ccc[nH]2)s1 ZINC001032374706 788730333 /nfs/dbraw/zinc/73/03/33/788730333.db2.gz WJAHQWCTHYTMHG-CFBOXQHNSA-N 1 2 338.436 2.446 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)/C=C/c2ccc[nH]2)s1 ZINC001032374706 788730342 /nfs/dbraw/zinc/73/03/42/788730342.db2.gz WJAHQWCTHYTMHG-CFBOXQHNSA-N 1 2 338.436 2.446 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCOCC2)c1 ZINC001032377946 788780952 /nfs/dbraw/zinc/78/09/52/788780952.db2.gz OREXQHMUJJGHLQ-QYZOEREBSA-N 1 2 339.439 2.160 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCOCC2)c1 ZINC001032377946 788780961 /nfs/dbraw/zinc/78/09/61/788780961.db2.gz OREXQHMUJJGHLQ-QYZOEREBSA-N 1 2 339.439 2.160 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000913483053 788933127 /nfs/dbraw/zinc/93/31/27/788933127.db2.gz YXULORQNVDOSLB-RTBURBONSA-N 1 2 344.455 2.321 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@@H](C)SC ZINC001212143538 789001978 /nfs/dbraw/zinc/00/19/78/789001978.db2.gz IGUXXKFMTJHTPJ-KBRIMQKVSA-N 1 2 347.484 2.015 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C[C@@H](C)SC ZINC001212143538 789001988 /nfs/dbraw/zinc/00/19/88/789001988.db2.gz IGUXXKFMTJHTPJ-KBRIMQKVSA-N 1 2 347.484 2.015 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C2CC[NH+](Cc3nocc3C)CC2)c1 ZINC001005969104 789051036 /nfs/dbraw/zinc/05/10/36/789051036.db2.gz VVQRLDVFUPSCIS-UHFFFAOYSA-N 1 2 338.411 2.096 20 30 EEEDLO Cc1nc(NC2CC(N(C)C(=O)CCc3c[nH]c[nH+]3)C2)ccc1C#N ZINC001127091989 789057398 /nfs/dbraw/zinc/05/73/98/789057398.db2.gz MAYTWYLBRBGVSA-UHFFFAOYSA-N 1 2 338.415 2.019 20 30 EEEDLO Cc1nc(NC2CC(N(C)C(=O)CCc3c[nH+]c[nH]3)C2)ccc1C#N ZINC001127091989 789057408 /nfs/dbraw/zinc/05/74/08/789057408.db2.gz MAYTWYLBRBGVSA-UHFFFAOYSA-N 1 2 338.415 2.019 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H](F)CC)CC2(CCOCC2)C1 ZINC001099586920 789088724 /nfs/dbraw/zinc/08/87/24/789088724.db2.gz LIAINFLMZCVRHS-KGLIPLIRSA-N 1 2 332.847 2.474 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H](F)CC)CC2(CCOCC2)C1 ZINC001099586920 789088733 /nfs/dbraw/zinc/08/87/33/789088733.db2.gz LIAINFLMZCVRHS-KGLIPLIRSA-N 1 2 332.847 2.474 20 30 EEEDLO C#CCCCC(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(OC)cc2)CCO1 ZINC001107901056 789189414 /nfs/dbraw/zinc/18/94/14/789189414.db2.gz IEESMMVENUPBDO-FQEVSTJZSA-N 1 2 344.455 2.206 20 30 EEEDLO C#CCCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(OC)cc2)CCO1 ZINC001107901056 789189419 /nfs/dbraw/zinc/18/94/19/789189419.db2.gz IEESMMVENUPBDO-FQEVSTJZSA-N 1 2 344.455 2.206 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCC)C(C)C)C2 ZINC001109778920 805969248 /nfs/dbraw/zinc/96/92/48/805969248.db2.gz ZDTDYLUGVLYHOD-NCOADZHNSA-N 1 2 335.492 2.082 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCC)C(C)C)C2 ZINC001109778920 805969256 /nfs/dbraw/zinc/96/92/56/805969256.db2.gz ZDTDYLUGVLYHOD-NCOADZHNSA-N 1 2 335.492 2.082 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2sc(C3CC3)nc2C)C1 ZINC001107941602 789554851 /nfs/dbraw/zinc/55/48/51/789554851.db2.gz JNECTZYLTURSHW-KRWDZBQOSA-N 1 2 335.473 2.336 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2sc(C3CC3)nc2C)C1 ZINC001107941602 789554856 /nfs/dbraw/zinc/55/48/56/789554856.db2.gz JNECTZYLTURSHW-KRWDZBQOSA-N 1 2 335.473 2.336 20 30 EEEDLO COc1ccccc1NC(=O)[C@H](C#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845443568 789780111 /nfs/dbraw/zinc/78/01/11/789780111.db2.gz ZGLZBVHNTDBLCX-QWHCGFSZSA-N 1 2 326.356 2.190 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000923586338 789829671 /nfs/dbraw/zinc/82/96/71/789829671.db2.gz ZJVSGJIYMSOFPT-ZDUSSCGKSA-N 1 2 327.340 2.168 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000923586338 789829675 /nfs/dbraw/zinc/82/96/75/789829675.db2.gz ZJVSGJIYMSOFPT-ZDUSSCGKSA-N 1 2 327.340 2.168 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079042359 789901782 /nfs/dbraw/zinc/90/17/82/789901782.db2.gz ZLJGEBIYITWMIP-JKSUJKDBSA-N 1 2 346.475 2.394 20 30 EEEDLO C#Cc1ccc(C(=O)NCC2CC([NH2+][C@@H](C)c3noc(C)n3)C2)cc1 ZINC001091176947 789995789 /nfs/dbraw/zinc/99/57/89/789995789.db2.gz VTTJMLYMJJRDBR-VWDMACCTSA-N 1 2 338.411 2.219 20 30 EEEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000046477452 790070407 /nfs/dbraw/zinc/07/04/07/790070407.db2.gz ZYKOCDGBBITNKH-UHFFFAOYSA-N 1 2 338.323 2.464 20 30 EEEDLO C[N@H+](Cc1ccc(C#N)cc1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000046477452 790070411 /nfs/dbraw/zinc/07/04/11/790070411.db2.gz ZYKOCDGBBITNKH-UHFFFAOYSA-N 1 2 338.323 2.464 20 30 EEEDLO CC(=O)CCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1C#N)C2 ZINC001146992245 791610471 /nfs/dbraw/zinc/61/04/71/791610471.db2.gz CPJHYDLGBRGQNC-UHFFFAOYSA-N 1 2 339.439 2.352 20 30 EEEDLO CC(=O)CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccccc1C#N)C2 ZINC001146992245 791610479 /nfs/dbraw/zinc/61/04/79/791610479.db2.gz CPJHYDLGBRGQNC-UHFFFAOYSA-N 1 2 339.439 2.352 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)[C@H](C)C2)cn1 ZINC001063755309 791667096 /nfs/dbraw/zinc/66/70/96/791667096.db2.gz PBJZHLHSMGXOCG-CXAGYDPISA-N 1 2 335.411 2.124 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(C)nc3c2cnn3C)[C@H]1C ZINC001088944212 791674624 /nfs/dbraw/zinc/67/46/24/791674624.db2.gz XKWCEGZFJUUABW-DOMZBBRYSA-N 1 2 347.850 2.222 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)nc3c2cnn3C)[C@H]1C ZINC001088944212 791674627 /nfs/dbraw/zinc/67/46/27/791674627.db2.gz XKWCEGZFJUUABW-DOMZBBRYSA-N 1 2 347.850 2.222 20 30 EEEDLO C#CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nc(C(C)(C)C)no1)C2 ZINC001147428614 791815686 /nfs/dbraw/zinc/81/56/86/791815686.db2.gz ZAGFHOMIFLVRMU-UHFFFAOYSA-N 1 2 344.459 2.205 20 30 EEEDLO C#CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nc(C(C)(C)C)no1)C2 ZINC001147428614 791815689 /nfs/dbraw/zinc/81/56/89/791815689.db2.gz ZAGFHOMIFLVRMU-UHFFFAOYSA-N 1 2 344.459 2.205 20 30 EEEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nc(COC)no1)C2 ZINC001147640235 791895456 /nfs/dbraw/zinc/89/54/56/791895456.db2.gz REJSDXHEAWNQAA-AWEZNQCLSA-N 1 2 348.447 2.168 20 30 EEEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nc(COC)no1)C2 ZINC001147640235 791895461 /nfs/dbraw/zinc/89/54/61/791895461.db2.gz REJSDXHEAWNQAA-AWEZNQCLSA-N 1 2 348.447 2.168 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)nnn3CC)[C@H]1C ZINC001089033501 791934922 /nfs/dbraw/zinc/93/49/22/791934922.db2.gz WPFSQYMYPXSFTK-OCCSQVGLSA-N 1 2 347.850 2.396 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)nnn3CC)[C@H]1C ZINC001089033501 791934927 /nfs/dbraw/zinc/93/49/27/791934927.db2.gz WPFSQYMYPXSFTK-OCCSQVGLSA-N 1 2 347.850 2.396 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2c[nH]cc2C)[C@H]1C ZINC001089036454 791937865 /nfs/dbraw/zinc/93/78/65/791937865.db2.gz HNDOJFMJZMBGAM-YPMHNXCESA-N 1 2 326.238 2.424 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]cc2C)[C@H]1C ZINC001089036454 791937868 /nfs/dbraw/zinc/93/78/68/791937868.db2.gz HNDOJFMJZMBGAM-YPMHNXCESA-N 1 2 326.238 2.424 20 30 EEEDLO C#CCCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nc(CC)no1)C2 ZINC001148059971 792127502 /nfs/dbraw/zinc/12/75/02/792127502.db2.gz SPMGFKLLFCMLGD-UHFFFAOYSA-N 1 2 344.459 2.250 20 30 EEEDLO C#CCCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nc(CC)no1)C2 ZINC001148059971 792127503 /nfs/dbraw/zinc/12/75/03/792127503.db2.gz SPMGFKLLFCMLGD-UHFFFAOYSA-N 1 2 344.459 2.250 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1cc[nH+]c(C)n1 ZINC001091686977 792231364 /nfs/dbraw/zinc/23/13/64/792231364.db2.gz XWGZMORANKFQOW-FMKPAKJESA-N 1 2 332.448 2.415 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C)nc2C)c1 ZINC001032617588 792410021 /nfs/dbraw/zinc/41/00/21/792410021.db2.gz ISLAXWKULXHOEX-PMACEKPBSA-N 1 2 346.434 2.174 20 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QWQVIIIAHLMRBM-UHFFFAOYSA-N 1 2 330.432 2.240 20 30 EEEDLO CC[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@@H]1Nc1cc[nH+]c(C)n1 ZINC001064384933 792926404 /nfs/dbraw/zinc/92/64/04/792926404.db2.gz NJUXTVSLSADESP-BBRMVZONSA-N 1 2 338.415 2.338 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1CC ZINC001091772982 793244489 /nfs/dbraw/zinc/24/44/89/793244489.db2.gz CFPACRSKUJURMT-FRQCXROJSA-N 1 2 346.475 2.202 20 30 EEEDLO Cc1nc(NC2(CNC(=O)C#CC(C)C)CC2)c2c([nH+]1)CCCC2 ZINC001110127602 793522569 /nfs/dbraw/zinc/52/25/69/793522569.db2.gz ACSYUUDJCXAYDJ-UHFFFAOYSA-N 1 2 326.444 2.384 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C[C@H]1O ZINC001092176305 793640872 /nfs/dbraw/zinc/64/08/72/793640872.db2.gz AGHDJFGJOPXSRN-LSDHHAIUSA-N 1 2 346.475 2.176 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C1CC3(CCC3)C1)c1nccn12 ZINC001092386699 793881362 /nfs/dbraw/zinc/88/13/62/793881362.db2.gz NLOXIHOFBIREPU-HNNXBMFYSA-N 1 2 326.444 2.221 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccccc1CC)c1nccn12 ZINC001092390608 793887658 /nfs/dbraw/zinc/88/76/58/793887658.db2.gz CFOIYPYVKRFTAX-SFHVURJKSA-N 1 2 348.450 2.355 20 30 EEEDLO C=Cc1ccc(C(=O)N[C@H]2CC3(C[NH+](CC#CC)C3)n3ccnc32)cc1 ZINC001092400237 793900940 /nfs/dbraw/zinc/90/09/40/793900940.db2.gz ZHFGGUCHHZOARH-SFHVURJKSA-N 1 2 346.434 2.435 20 30 EEEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC23CC3)cc1C#N ZINC001032648042 793912159 /nfs/dbraw/zinc/91/21/59/793912159.db2.gz NDTWBRVPUGSXDM-YESZJQIVSA-N 1 2 337.423 2.152 20 30 EEEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC23CC3)cc1C#N ZINC001032648042 793912165 /nfs/dbraw/zinc/91/21/65/793912165.db2.gz NDTWBRVPUGSXDM-YESZJQIVSA-N 1 2 337.423 2.152 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC3CCC1CC3)c1nccn12 ZINC001092412398 793962892 /nfs/dbraw/zinc/96/28/92/793962892.db2.gz DPLPVUPEOUARMZ-GQGLESIBSA-N 1 2 340.471 2.467 20 30 EEEDLO C#CCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H](F)CC)cc1 ZINC001032669860 794032613 /nfs/dbraw/zinc/03/26/13/794032613.db2.gz DGZOVTWAMPEEFV-ULQDDVLXSA-N 1 2 330.403 2.345 20 30 EEEDLO C#CCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H](F)CC)cc1 ZINC001032669860 794032618 /nfs/dbraw/zinc/03/26/18/794032618.db2.gz DGZOVTWAMPEEFV-ULQDDVLXSA-N 1 2 330.403 2.345 20 30 EEEDLO Cc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC2CC2)C3)nc(C2CC2)[nH+]1 ZINC001092830881 794392609 /nfs/dbraw/zinc/39/26/09/794392609.db2.gz QSOJFDWIZBIOKQ-IKGGRYGDSA-N 1 2 336.439 2.302 20 30 EEEDLO C=CCCC(=O)N(CC)C1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001079473157 794809881 /nfs/dbraw/zinc/80/98/81/794809881.db2.gz AVIVFCMILWAWNQ-UHFFFAOYSA-N 1 2 326.400 2.202 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)o1 ZINC001079527853 794867503 /nfs/dbraw/zinc/86/75/03/794867503.db2.gz HUBLAGAUPDKLQQ-SJKOYZFVSA-N 1 2 338.411 2.413 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)o1 ZINC001079527853 794867506 /nfs/dbraw/zinc/86/75/06/794867506.db2.gz HUBLAGAUPDKLQQ-SJKOYZFVSA-N 1 2 338.411 2.413 20 30 EEEDLO Cc1nc(N[C@@H](C)C[C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)ccc1C#N ZINC001089307426 795158037 /nfs/dbraw/zinc/15/80/37/795158037.db2.gz YAWDVSQQJKVTRC-QWHCGFSZSA-N 1 2 340.431 2.313 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC(N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001079792103 795199885 /nfs/dbraw/zinc/19/98/85/795199885.db2.gz ZSQHZDZWOBUJEW-HZPDHXFCSA-N 1 2 346.475 2.496 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C3CC(OCC)C3)CC2)C1 ZINC001093533338 795318917 /nfs/dbraw/zinc/31/89/17/795318917.db2.gz IMYYIHCUCZOUDU-UHFFFAOYSA-N 1 2 336.476 2.069 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3c(C)onc3C3CC3)CC2)C1 ZINC001093553570 795329004 /nfs/dbraw/zinc/32/90/04/795329004.db2.gz BJQZZJIAPZEQFA-UHFFFAOYSA-N 1 2 345.443 2.352 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@]34CCO[C@@H]3CCCC4)CC2)C1 ZINC001093554276 795333013 /nfs/dbraw/zinc/33/30/13/795333013.db2.gz TVSMLBGPUFECHN-UYAOXDASSA-N 1 2 348.487 2.214 20 30 EEEDLO C=CCCC(=O)N1CC[C@H](Nc2[nH+]cnc3c2cnn3C)[C@@H](CC)C1 ZINC001110025856 806410759 /nfs/dbraw/zinc/41/07/59/806410759.db2.gz REOQATLCVUUDOX-ZFWWWQNUSA-N 1 2 342.447 2.369 20 30 EEEDLO C=CCOCCCC(=O)NCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001093569771 795380598 /nfs/dbraw/zinc/38/05/98/795380598.db2.gz DDGFGKOMZCMKTP-UHFFFAOYSA-N 1 2 332.448 2.175 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CC[C@H]3CCCCO3)CC2)C1 ZINC001093579610 795390368 /nfs/dbraw/zinc/39/03/68/795390368.db2.gz YWJWHKWKIIOTIU-MRXNPFEDSA-N 1 2 336.476 2.214 20 30 EEEDLO C=CCCC(=O)N1CC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)CC2 ZINC001060939568 795782800 /nfs/dbraw/zinc/78/28/00/795782800.db2.gz XGMNNRYGANCGIJ-UHFFFAOYSA-N 1 2 344.459 2.105 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(CC)C1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001080310578 795801726 /nfs/dbraw/zinc/80/17/26/795801726.db2.gz YBDPGCWDMHRNFI-JKSUJKDBSA-N 1 2 346.475 2.496 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)c(C)o1 ZINC000993202209 795868940 /nfs/dbraw/zinc/86/89/40/795868940.db2.gz OUHFANQODAWNBO-BZNIZROVSA-N 1 2 341.415 2.274 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)c(C)o1 ZINC000993202209 795868948 /nfs/dbraw/zinc/86/89/48/795868948.db2.gz OUHFANQODAWNBO-BZNIZROVSA-N 1 2 341.415 2.274 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NCCNc1[nH+]c(C)nc(-n2cccn2)c1C ZINC001094047182 795893286 /nfs/dbraw/zinc/89/32/86/795893286.db2.gz KSCYSCSUPXTECU-STQMWFEESA-N 1 2 342.447 2.265 20 30 EEEDLO C=CCCCC(=O)NCC[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001078099682 795907344 /nfs/dbraw/zinc/90/73/44/795907344.db2.gz UGVZAZOKPNRPLQ-AWEZNQCLSA-N 1 2 334.464 2.294 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2cccc(CC)c2)[C@@H](O)C1 ZINC001090367645 796060794 /nfs/dbraw/zinc/06/07/94/796060794.db2.gz HUBSAMNDTSOEBW-IRXDYDNUSA-N 1 2 336.863 2.095 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(CC)c2)[C@@H](O)C1 ZINC001090367645 796060798 /nfs/dbraw/zinc/06/07/98/796060798.db2.gz HUBSAMNDTSOEBW-IRXDYDNUSA-N 1 2 336.863 2.095 20 30 EEEDLO C=C1CCC(C(=O)NCC[C@H](C)NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001078217039 796093504 /nfs/dbraw/zinc/09/35/04/796093504.db2.gz MPLMESHXJQITDJ-INIZCTEOSA-N 1 2 346.475 2.421 20 30 EEEDLO C#CCOc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000153637730 796311888 /nfs/dbraw/zinc/31/18/88/796311888.db2.gz PETDACBDEHTWLS-KRWDZBQOSA-N 1 2 343.427 2.027 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn(C3CCC3)nn2)[C@@H]1C ZINC000993369136 796474190 /nfs/dbraw/zinc/47/41/90/796474190.db2.gz ULRSWKNNJMBCRX-JSGCOSHPSA-N 1 2 337.855 2.338 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C3CCC3)nn2)[C@@H]1C ZINC000993369136 796474193 /nfs/dbraw/zinc/47/41/93/796474193.db2.gz ULRSWKNNJMBCRX-JSGCOSHPSA-N 1 2 337.855 2.338 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C3CC(C(C)(C)C)C3)CC2=O)C1 ZINC001094818460 796597842 /nfs/dbraw/zinc/59/78/42/796597842.db2.gz BYHOOLZMFCSTPL-UYSNPLJNSA-N 1 2 347.503 2.036 20 30 EEEDLO C=CCCOCC(=O)NCC1(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC001110163843 796598530 /nfs/dbraw/zinc/59/85/30/796598530.db2.gz ZRCWSMKTFUQYAJ-UHFFFAOYSA-N 1 2 344.459 2.317 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CC3CCC(C)(C)CC3)CC2=O)C1 ZINC001094824912 796630620 /nfs/dbraw/zinc/63/06/20/796630620.db2.gz LJXIRPOKWRVGFB-MRXNPFEDSA-N 1 2 347.503 2.180 20 30 EEEDLO C[C@H](CC(=O)NCCCNc1cccc(F)c1C#N)n1cc[nH+]c1 ZINC001094823190 796636148 /nfs/dbraw/zinc/63/61/48/796636148.db2.gz MRCQEEVROWKDKB-CYBMUJFWSA-N 1 2 329.379 2.463 20 30 EEEDLO CCN(CCNc1ccc(C#N)c(C)n1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001106802398 796637725 /nfs/dbraw/zinc/63/77/25/796637725.db2.gz FBRFCDVIKPCPJB-UHFFFAOYSA-N 1 2 340.431 2.223 20 30 EEEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC1CCCC1 ZINC001081306270 796722848 /nfs/dbraw/zinc/72/28/48/796722848.db2.gz DEIYWFNYOCCMGN-WOJBJXKFSA-N 1 2 340.467 2.434 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC1CCCC1 ZINC001081306270 796722852 /nfs/dbraw/zinc/72/28/52/796722852.db2.gz DEIYWFNYOCCMGN-WOJBJXKFSA-N 1 2 340.467 2.434 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CC=CCC1 ZINC001081350750 796736302 /nfs/dbraw/zinc/73/63/02/796736302.db2.gz RWTPFOUWFIOFPY-ATZDWAIDSA-N 1 2 339.439 2.230 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CC=CCC1 ZINC001081350750 796736306 /nfs/dbraw/zinc/73/63/06/796736306.db2.gz RWTPFOUWFIOFPY-ATZDWAIDSA-N 1 2 339.439 2.230 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccc3ncnn32)[C@H]1C ZINC000993542144 796795311 /nfs/dbraw/zinc/79/53/11/796795311.db2.gz YYGRGRXDCAVASJ-CHWSQXEVSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc3ncnn32)[C@H]1C ZINC000993542144 796795315 /nfs/dbraw/zinc/79/53/15/796795315.db2.gz YYGRGRXDCAVASJ-CHWSQXEVSA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2csc(COC)n2)C1 ZINC001046869348 796981221 /nfs/dbraw/zinc/98/12/21/796981221.db2.gz XRGWESVMEKJIPC-AWEZNQCLSA-N 1 2 329.853 2.236 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2csc(COC)n2)C1 ZINC001046869348 796981224 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EEEDLO Cc1cc(CCC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)no1 ZINC001004541548 802333796 /nfs/dbraw/zinc/33/37/96/802333796.db2.gz KBSKANLWBYTDRI-KRWDZBQOSA-N 1 2 330.432 2.142 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc3cccnn32)CC1 ZINC001004572111 802394101 /nfs/dbraw/zinc/39/41/01/802394101.db2.gz ZQXHZXPTLINYHK-QGZVFWFLSA-N 1 2 337.427 2.174 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc3cccnn32)CC1 ZINC001004572111 802394110 /nfs/dbraw/zinc/39/41/10/802394110.db2.gz ZQXHZXPTLINYHK-QGZVFWFLSA-N 1 2 337.427 2.174 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]([NH2+]Cc2nc([C@H](C)OCC)no2)C1 ZINC001185313531 802456032 /nfs/dbraw/zinc/45/60/32/802456032.db2.gz NYMGKAUNQXAMBI-UONOGXRCSA-N 1 2 336.436 2.214 20 30 EEEDLO Cc1c(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c(Cl)nn1C ZINC001004602898 802467080 /nfs/dbraw/zinc/46/70/80/802467080.db2.gz WWZVXOAZOSGYBJ-AWEZNQCLSA-N 1 2 349.866 2.222 20 30 EEEDLO Cc1c(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c(Cl)nn1C ZINC001004602898 802467083 /nfs/dbraw/zinc/46/70/83/802467083.db2.gz WWZVXOAZOSGYBJ-AWEZNQCLSA-N 1 2 349.866 2.222 20 30 EEEDLO Cc1nsc(NCCCC[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1C#N ZINC001090108157 802763146 /nfs/dbraw/zinc/76/31/46/802763146.db2.gz KAXXAHUMFDZENB-LLVKDONJSA-N 1 2 346.460 2.376 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCc2ccc(F)cc2F)C1 ZINC001108318105 803268633 /nfs/dbraw/zinc/26/86/33/803268633.db2.gz WCBDHZKRVNRYEB-SFHVURJKSA-N 1 2 338.398 2.291 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCc2ccc(F)cc2F)C1 ZINC001108318105 803268639 /nfs/dbraw/zinc/26/86/39/803268639.db2.gz WCBDHZKRVNRYEB-SFHVURJKSA-N 1 2 338.398 2.291 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCOc2ccccc2CC)C1 ZINC001108334206 803308455 /nfs/dbraw/zinc/30/84/55/803308455.db2.gz FOWZGFGEPCNMPZ-HXUWFJFHSA-N 1 2 346.471 2.411 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCOc2ccccc2CC)C1 ZINC001108334206 803308463 /nfs/dbraw/zinc/30/84/63/803308463.db2.gz FOWZGFGEPCNMPZ-HXUWFJFHSA-N 1 2 346.471 2.411 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001108350571 803350622 /nfs/dbraw/zinc/35/06/22/803350622.db2.gz YLTDQEGPOJULFE-LJQANCHMSA-N 1 2 334.435 2.496 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001108350571 803350626 /nfs/dbraw/zinc/35/06/26/803350626.db2.gz YLTDQEGPOJULFE-LJQANCHMSA-N 1 2 334.435 2.496 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3nc(C)ccc3o2)C1 ZINC001108354218 803356306 /nfs/dbraw/zinc/35/63/06/803356306.db2.gz AFXGHEMEGVZPTN-GOSISDBHSA-N 1 2 329.400 2.143 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3nc(C)ccc3o2)C1 ZINC001108354218 803356310 /nfs/dbraw/zinc/35/63/10/803356310.db2.gz AFXGHEMEGVZPTN-GOSISDBHSA-N 1 2 329.400 2.143 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CCC(C(F)F)CC2)C1 ZINC001108373252 803388022 /nfs/dbraw/zinc/38/80/22/803388022.db2.gz SFGSNVGONJYGOI-JMLCCBQJSA-N 1 2 342.430 2.288 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CCC(C(F)F)CC2)C1 ZINC001108373252 803388027 /nfs/dbraw/zinc/38/80/27/803388027.db2.gz SFGSNVGONJYGOI-JMLCCBQJSA-N 1 2 342.430 2.288 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)COc2c(C)cc(C)cc2C)C1 ZINC001108382255 803423635 /nfs/dbraw/zinc/42/36/35/803423635.db2.gz MBSQQIJJVSRKGI-HXUWFJFHSA-N 1 2 346.471 2.384 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)COc2c(C)cc(C)cc2C)C1 ZINC001108382255 803423638 /nfs/dbraw/zinc/42/36/38/803423638.db2.gz MBSQQIJJVSRKGI-HXUWFJFHSA-N 1 2 346.471 2.384 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnn(C(C)(C)C)c2CC)C1 ZINC001108402366 803459533 /nfs/dbraw/zinc/45/95/33/803459533.db2.gz BVTSLFNWBPASPF-LJQANCHMSA-N 1 2 348.491 2.207 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnn(C(C)(C)C)c2CC)C1 ZINC001108402366 803459543 /nfs/dbraw/zinc/45/95/43/803459543.db2.gz BVTSLFNWBPASPF-LJQANCHMSA-N 1 2 348.491 2.207 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H](C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001108547185 804050547 /nfs/dbraw/zinc/05/05/47/804050547.db2.gz WKMREDAPEJAOKJ-AWEZNQCLSA-N 1 2 343.475 2.150 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H](C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001108547185 804050556 /nfs/dbraw/zinc/05/05/56/804050556.db2.gz WKMREDAPEJAOKJ-AWEZNQCLSA-N 1 2 343.475 2.150 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](CCC)C(C)C)CC2=O)C1 ZINC001108575108 804150413 /nfs/dbraw/zinc/15/04/13/804150413.db2.gz GWLNMHARFLAULT-RDJZCZTQSA-N 1 2 335.492 2.036 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C3(CC(C)C)CCCC3)CC2=O)C1 ZINC001108579760 804187222 /nfs/dbraw/zinc/18/72/22/804187222.db2.gz BHXFKJMXJLOAQU-MRXNPFEDSA-N 1 2 347.503 2.180 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CCCC3CCCCC3)CC2=O)C1 ZINC001108589376 804247205 /nfs/dbraw/zinc/24/72/05/804247205.db2.gz POVHMWYHHKHPPR-QGZVFWFLSA-N 1 2 347.503 2.324 20 30 EEEDLO CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001108963029 804738516 /nfs/dbraw/zinc/73/85/16/804738516.db2.gz CZSQDZUULLRZIX-ZYUBPSHWSA-N 1 2 345.418 2.344 20 30 EEEDLO CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001108963029 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30 EEEDLO CC[C@H](C(=O)NCc1ccc(C#N)c(F)c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000456848444 244370897 /nfs/dbraw/zinc/37/08/97/244370897.db2.gz WMWMWYQCWGZKSL-DOTOQJQBSA-N 1 2 333.407 2.203 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000264083699 246049458 /nfs/dbraw/zinc/04/94/58/246049458.db2.gz FGMITYLWSGUVRI-ZIAGYGMSSA-N 1 2 337.414 2.334 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCN(c3ccc(F)cc3)C2=O)n1 ZINC000491786841 246150219 /nfs/dbraw/zinc/15/02/19/246150219.db2.gz POUKEFXXIHALMS-SFHVURJKSA-N 1 2 340.402 2.283 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@H]2CCN(c3ccc(F)cc3)C2=O)n1 ZINC000491786841 246150227 /nfs/dbraw/zinc/15/02/27/246150227.db2.gz POUKEFXXIHALMS-SFHVURJKSA-N 1 2 340.402 2.283 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(OC(C)=O)cc2)n1 ZINC000491801718 246158216 /nfs/dbraw/zinc/15/82/16/246158216.db2.gz DOAIPALZSIJMCR-UHFFFAOYSA-N 1 2 341.411 2.090 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(OC(C)=O)cc2)n1 ZINC000491801718 246158218 /nfs/dbraw/zinc/15/82/18/246158218.db2.gz DOAIPALZSIJMCR-UHFFFAOYSA-N 1 2 341.411 2.090 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2cc(S(=O)(=O)N(CC)CC)ccc2[nH]1 ZINC000491537023 533285662 /nfs/dbraw/zinc/28/56/62/533285662.db2.gz NPWROCOBQADIQU-ZDUSSCGKSA-N 1 2 348.472 2.047 20 30 EEEDLO C#C[C@H](C)[N@H+](C)Cc1nc2cc(S(=O)(=O)N(CC)CC)ccc2[nH]1 ZINC000491537023 533285664 /nfs/dbraw/zinc/28/56/64/533285664.db2.gz NPWROCOBQADIQU-ZDUSSCGKSA-N 1 2 348.472 2.047 20 30 EEEDLO COc1cc(F)ccc1N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191368382 152251560 /nfs/dbraw/zinc/25/15/60/152251560.db2.gz ILPAAVCBJJCIOY-UHFFFAOYSA-N 1 2 328.391 2.367 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C#N ZINC000068084456 159016111 /nfs/dbraw/zinc/01/61/11/159016111.db2.gz RZKLQGFQJKXCEQ-RYUDHWBXSA-N 1 2 348.472 2.231 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1C#N ZINC000068084456 159016112 /nfs/dbraw/zinc/01/61/12/159016112.db2.gz RZKLQGFQJKXCEQ-RYUDHWBXSA-N 1 2 348.472 2.231 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000246484243 160281320 /nfs/dbraw/zinc/28/13/20/160281320.db2.gz OXFCXCSMNZRXNA-JKSUJKDBSA-N 1 2 340.383 2.343 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000246484243 160281322 /nfs/dbraw/zinc/28/13/22/160281322.db2.gz OXFCXCSMNZRXNA-JKSUJKDBSA-N 1 2 340.383 2.343 20 30 EEEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H](COC(F)F)C2)C1=O ZINC000353010157 162389164 /nfs/dbraw/zinc/38/91/64/162389164.db2.gz UGQPZGIKSQTSHX-CMPLNLGQSA-N 1 2 341.383 2.286 20 30 EEEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@H](COC(F)F)C2)C1=O ZINC000353010157 162389171 /nfs/dbraw/zinc/38/91/71/162389171.db2.gz UGQPZGIKSQTSHX-CMPLNLGQSA-N 1 2 341.383 2.286 20 30 EEEDLO C[C@@H]([NH2+]Cc1nc(N)nc(N)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000364689798 165235730 /nfs/dbraw/zinc/23/57/30/165235730.db2.gz GTFYDCOYROGEDD-GFCCVEGCSA-N 1 2 345.410 2.086 20 30 EEEDLO Cc1ccc(N2CC[N@H+](C[C@H](O)c3ccc(C#N)cc3)CC2=O)cc1 ZINC000375638232 167172731 /nfs/dbraw/zinc/17/27/31/167172731.db2.gz YUJTWHAKSGRBFI-IBGZPJMESA-N 1 2 335.407 2.249 20 30 EEEDLO Cc1ccc(N2CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)CC2=O)cc1 ZINC000375638232 167172732 /nfs/dbraw/zinc/17/27/32/167172732.db2.gz YUJTWHAKSGRBFI-IBGZPJMESA-N 1 2 335.407 2.249 20 30 EEEDLO CC(C)[C@H](C(=O)Nc1n[nH]c(C2CC2)c1C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000290371481 265898417 /nfs/dbraw/zinc/89/84/17/265898417.db2.gz GZQGGVSSIHTVPV-BFQNTYOBSA-N 1 2 345.447 2.231 20 30 EEEDLO CC(C)[C@H](C(=O)Nc1n[nH]c(C2CC2)c1C#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000290371481 265898421 /nfs/dbraw/zinc/89/84/21/265898421.db2.gz GZQGGVSSIHTVPV-BFQNTYOBSA-N 1 2 345.447 2.231 20 30 EEEDLO COc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)ccc1C#N ZINC000282446557 266811933 /nfs/dbraw/zinc/81/19/33/266811933.db2.gz UWBGVQWNYUWIIH-UHFFFAOYSA-N 1 2 333.395 2.156 20 30 EEEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1nc(C(F)(F)F)ccc1C#N ZINC000291162721 267111268 /nfs/dbraw/zinc/11/12/68/267111268.db2.gz QCSILCVHYAZHGY-DGCLKSJQSA-N 1 2 340.349 2.271 20 30 EEEDLO C[C@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)Cc2ccccc2O1 ZINC000367773156 267229530 /nfs/dbraw/zinc/22/95/30/267229530.db2.gz SGISBXMEIGIXCD-HNNXBMFYSA-N 1 2 335.407 2.458 20 30 EEEDLO C[C@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)Cc2ccccc2O1 ZINC000367773156 267229532 /nfs/dbraw/zinc/22/95/32/267229532.db2.gz SGISBXMEIGIXCD-HNNXBMFYSA-N 1 2 335.407 2.458 20 30 EEEDLO Cc1[nH+]c2cc(NC(=O)C(=O)Nc3cccc(C#N)c3)ccc2n1C ZINC000527146239 268079396 /nfs/dbraw/zinc/07/93/96/268079396.db2.gz ICXDIKWKXFUBPR-UHFFFAOYSA-N 1 2 333.351 2.331 20 30 EEEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCOC[C@@H](C3CCC3)C2)C1=O ZINC000292042428 268304741 /nfs/dbraw/zinc/30/47/41/268304741.db2.gz AROPIZGPZAYTTB-HOTGVXAUSA-N 1 2 345.468 2.474 20 30 EEEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCOC[C@@H](C3CCC3)C2)C1=O ZINC000292042428 268304742 /nfs/dbraw/zinc/30/47/42/268304742.db2.gz AROPIZGPZAYTTB-HOTGVXAUSA-N 1 2 345.468 2.474 20 30 EEEDLO N#Cc1nccnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000301182247 268332322 /nfs/dbraw/zinc/33/23/22/268332322.db2.gz NNCLVHFZJNAFCR-UHFFFAOYSA-N 1 2 343.818 2.203 20 30 EEEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)[nH]n1 ZINC000271601178 274144627 /nfs/dbraw/zinc/14/46/27/274144627.db2.gz IAQPGONBRCRECD-UHFFFAOYSA-N 1 2 329.429 2.469 20 30 EEEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)n[nH]1 ZINC000271601178 274144629 /nfs/dbraw/zinc/14/46/29/274144629.db2.gz IAQPGONBRCRECD-UHFFFAOYSA-N 1 2 329.429 2.469 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H](F)C(F)(F)F)CC2)cc1 ZINC000277275104 274280089 /nfs/dbraw/zinc/28/00/89/274280089.db2.gz BRVBGKAOLUEFLM-AWEZNQCLSA-N 1 2 343.324 2.493 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H](F)C(F)(F)F)CC2)cc1 ZINC000277275104 274280094 /nfs/dbraw/zinc/28/00/94/274280094.db2.gz BRVBGKAOLUEFLM-AWEZNQCLSA-N 1 2 343.324 2.493 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(F)C(F)(F)F)CC2)cc1 ZINC000277275104 274280096 /nfs/dbraw/zinc/28/00/96/274280096.db2.gz BRVBGKAOLUEFLM-AWEZNQCLSA-N 1 2 343.324 2.493 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(F)C(F)(F)F)CC2)cc1 ZINC000277275104 274280098 /nfs/dbraw/zinc/28/00/98/274280098.db2.gz BRVBGKAOLUEFLM-AWEZNQCLSA-N 1 2 343.324 2.493 20 30 EEEDLO N#Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000126074671 303183741 /nfs/dbraw/zinc/18/37/41/303183741.db2.gz YLINVEJBXKOXIC-ZDUSSCGKSA-N 1 2 334.376 2.336 20 30 EEEDLO Cc1cccc([C@@H]2C(=O)NCC[N@H+]2CCOc2ccccc2C#N)c1 ZINC000563429214 319010641 /nfs/dbraw/zinc/01/06/41/319010641.db2.gz SDBDICVGSDZOLA-LJQANCHMSA-N 1 2 335.407 2.419 20 30 EEEDLO Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2CCOc2ccccc2C#N)c1 ZINC000563429214 319010644 /nfs/dbraw/zinc/01/06/44/319010644.db2.gz SDBDICVGSDZOLA-LJQANCHMSA-N 1 2 335.407 2.419 20 30 EEEDLO N#Cc1cnn2cc(C[N@H+]3Cc4ccc(O)cc4C4(CC4)C3)cnc12 ZINC000565834306 319219096 /nfs/dbraw/zinc/21/90/96/319219096.db2.gz GTSKFIZJDKKJIB-UHFFFAOYSA-N 1 2 331.379 2.354 20 30 EEEDLO N#Cc1cnn2cc(C[N@@H+]3Cc4ccc(O)cc4C4(CC4)C3)cnc12 ZINC000565834306 319219098 /nfs/dbraw/zinc/21/90/98/319219098.db2.gz GTSKFIZJDKKJIB-UHFFFAOYSA-N 1 2 331.379 2.354 20 30 EEEDLO N#Cc1c(C[NH+]2CCN(c3cnccc3C#N)CC2)cn2ccccc12 ZINC000581465196 324257140 /nfs/dbraw/zinc/25/71/40/324257140.db2.gz OFNPEIVHGSPUBG-UHFFFAOYSA-N 1 2 342.406 2.400 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nncn3C)[C@@H]2CC)CC1 ZINC001087713778 782112480 /nfs/dbraw/zinc/11/24/80/782112480.db2.gz IWYSLRJATIHCDQ-JKSUJKDBSA-N 1 2 331.464 2.031 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nncn3C)[C@@H]2CC)CC1 ZINC001087713778 782112486 /nfs/dbraw/zinc/11/24/86/782112486.db2.gz IWYSLRJATIHCDQ-JKSUJKDBSA-N 1 2 331.464 2.031 20 30 EEEDLO C=CCCOCCNc1[nH+]cnc2c1c(Br)nn2C ZINC000270214988 464221842 /nfs/dbraw/zinc/22/18/42/464221842.db2.gz MFORQHYHYODMQG-UHFFFAOYSA-N 1 2 326.198 2.130 20 30 EEEDLO CC(C)CC(=O)N1CCC(NC(=O)[C@H](c2c[nH+]cn2C)N(C)C)CC1 ZINC000329177646 465258334 /nfs/dbraw/zinc/25/83/34/465258334.db2.gz CGHKWBVINRRNIP-KRWDZBQOSA-N 1 2 349.479 2.016 20 30 EEEDLO C=CC[C@H](CO)CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000341764560 465259218 /nfs/dbraw/zinc/25/92/18/465259218.db2.gz RMOGCGNWFVEOQN-HOTGVXAUSA-N 1 2 347.459 2.386 20 30 EEEDLO CC[C@@H](C)[N@H+](CC(=O)OC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000337248651 465267133 /nfs/dbraw/zinc/26/71/33/465267133.db2.gz PRQJOGNFUSIOPK-RHSMWYFYSA-N 1 2 343.427 2.327 20 30 EEEDLO CC[C@@H](C)[N@@H+](CC(=O)OC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000337248651 465267139 /nfs/dbraw/zinc/26/71/39/465267139.db2.gz PRQJOGNFUSIOPK-RHSMWYFYSA-N 1 2 343.427 2.327 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000341975000 465279421 /nfs/dbraw/zinc/27/94/21/465279421.db2.gz IPGXZTYWOOHKFN-UHFFFAOYSA-N 1 2 341.455 2.434 20 30 EEEDLO COc1cnc(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)s1 ZINC000329256718 465281834 /nfs/dbraw/zinc/28/18/34/465281834.db2.gz XSNOIFMXXYRWJF-KOLCDFICSA-N 1 2 337.405 2.131 20 30 EEEDLO Cc1c(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cnn1C1CCCCC1 ZINC000329362110 465311466 /nfs/dbraw/zinc/31/14/66/465311466.db2.gz YTTRRJPCXCCJRF-INIZCTEOSA-N 1 2 331.464 2.001 20 30 EEEDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000060481662 462552752 /nfs/dbraw/zinc/55/27/52/462552752.db2.gz MHYRKGGTWBAJCY-MRXNPFEDSA-N 1 2 349.438 2.411 20 30 EEEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000128467898 462642309 /nfs/dbraw/zinc/64/23/09/462642309.db2.gz PDUDJDBEZSILFL-ZWILPSFYSA-N 1 2 347.415 2.487 20 30 EEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000063508589 462650455 /nfs/dbraw/zinc/65/04/55/462650455.db2.gz FWCWRYZPOVPAPN-HNNXBMFYSA-N 1 2 344.434 2.220 20 30 EEEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000063589873 462656152 /nfs/dbraw/zinc/65/61/52/462656152.db2.gz ZFZSNLNLMKLORX-UHFFFAOYSA-N 1 2 347.267 2.323 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCCC2(C1)OCCO2 ZINC000090563203 462798623 /nfs/dbraw/zinc/79/86/23/462798623.db2.gz KTVQZQVGQKFRIY-MRXNPFEDSA-N 1 2 343.427 2.161 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCCC2(C1)OCCO2 ZINC000090563203 462798629 /nfs/dbraw/zinc/79/86/29/462798629.db2.gz KTVQZQVGQKFRIY-MRXNPFEDSA-N 1 2 343.427 2.161 20 30 EEEDLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)o1 ZINC000131206560 462798756 /nfs/dbraw/zinc/79/87/56/462798756.db2.gz FIELUFGRQISMPK-MRXNPFEDSA-N 1 2 344.415 2.219 20 30 EEEDLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)CCC#N)o1 ZINC000131206560 462798762 /nfs/dbraw/zinc/79/87/62/462798762.db2.gz FIELUFGRQISMPK-MRXNPFEDSA-N 1 2 344.415 2.219 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117758250 462812843 /nfs/dbraw/zinc/81/28/43/462812843.db2.gz VJAPXPAGGMBGFN-CVEARBPZSA-N 1 2 346.450 2.344 20 30 EEEDLO C=CCCOCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000155382571 462883714 /nfs/dbraw/zinc/88/37/14/462883714.db2.gz CHPCUEINLQRIEA-MRXNPFEDSA-N 1 2 349.450 2.045 20 30 EEEDLO C=CC[N@@H+](CCOc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066561008 462903353 /nfs/dbraw/zinc/90/33/53/462903353.db2.gz GTWNWOHMHGZKDD-AWEZNQCLSA-N 1 2 329.849 2.394 20 30 EEEDLO C=CC[N@H+](CCOc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066561008 462903359 /nfs/dbraw/zinc/90/33/59/462903359.db2.gz GTWNWOHMHGZKDD-AWEZNQCLSA-N 1 2 329.849 2.394 20 30 EEEDLO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000133236737 462910082 /nfs/dbraw/zinc/91/00/82/462910082.db2.gz DMTKZWRXIDNIRY-DLBZAZTESA-N 1 2 335.473 2.088 20 30 EEEDLO CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000133236737 462910089 /nfs/dbraw/zinc/91/00/89/462910089.db2.gz DMTKZWRXIDNIRY-DLBZAZTESA-N 1 2 335.473 2.088 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(F)c1F ZINC000155656520 462924552 /nfs/dbraw/zinc/92/45/52/462924552.db2.gz AFSYVPYOQKJOAS-GFCCVEGCSA-N 1 2 329.354 2.337 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(F)c1F ZINC000155656520 462924554 /nfs/dbraw/zinc/92/45/54/462924554.db2.gz AFSYVPYOQKJOAS-GFCCVEGCSA-N 1 2 329.354 2.337 20 30 EEEDLO CCCC[C@H](C(=O)OC)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000067226878 462980075 /nfs/dbraw/zinc/98/00/75/462980075.db2.gz CYNHWNSQUMWJTK-GOSISDBHSA-N 1 2 329.444 2.408 20 30 EEEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000016637717 462984204 /nfs/dbraw/zinc/98/42/04/462984204.db2.gz CSOOMEHIWZXDJG-HNNXBMFYSA-N 1 2 336.395 2.069 20 30 EEEDLO COc1cccc2c1C[N@H+](CC(=O)NCc1cccc(C#N)c1)CC2 ZINC000590759842 468330716 /nfs/dbraw/zinc/33/07/16/468330716.db2.gz SOVUCTBHECUTQS-UHFFFAOYSA-N 1 2 335.407 2.241 20 30 EEEDLO COc1cccc2c1C[N@@H+](CC(=O)NCc1cccc(C#N)c1)CC2 ZINC000590759842 468330719 /nfs/dbraw/zinc/33/07/19/468330719.db2.gz SOVUCTBHECUTQS-UHFFFAOYSA-N 1 2 335.407 2.241 20 30 EEEDLO COc1cccc2c1C[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000590759700 468331223 /nfs/dbraw/zinc/33/12/23/468331223.db2.gz JCTFQATZSQOUAA-AUUYWEPGSA-N 1 2 329.444 2.496 20 30 EEEDLO COc1cccc2c1C[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000590759700 468331225 /nfs/dbraw/zinc/33/12/25/468331225.db2.gz JCTFQATZSQOUAA-AUUYWEPGSA-N 1 2 329.444 2.496 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000024735779 463096764 /nfs/dbraw/zinc/09/67/64/463096764.db2.gz KJXSOCOVHLKQHG-NSHDSACASA-N 1 2 332.429 2.128 20 30 EEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000024735779 463096771 /nfs/dbraw/zinc/09/67/71/463096771.db2.gz KJXSOCOVHLKQHG-NSHDSACASA-N 1 2 332.429 2.128 20 30 EEEDLO N#Cc1ccncc1N1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000568464797 468338382 /nfs/dbraw/zinc/33/83/82/468338382.db2.gz GUEOCXWEFILRHF-UHFFFAOYSA-N 1 2 338.386 2.487 20 30 EEEDLO C[C@H]1CCCN(C(=O)C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1 ZINC000121543439 463153703 /nfs/dbraw/zinc/15/37/03/463153703.db2.gz HZUVJIBQYABCSV-HKUYNNGSSA-N 1 2 340.471 2.127 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445073 463257364 /nfs/dbraw/zinc/25/73/64/463257364.db2.gz YBPONNAWEKBQQX-OAHLLOKOSA-N 1 2 335.411 2.102 20 30 EEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)c2ccccc2C1 ZINC000103498086 463403943 /nfs/dbraw/zinc/40/39/43/463403943.db2.gz OGDRRJFBQWKUBH-UHFFFAOYSA-N 1 2 327.409 2.199 20 30 EEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)c2ccccc2C1 ZINC000103498086 463403948 /nfs/dbraw/zinc/40/39/48/463403948.db2.gz OGDRRJFBQWKUBH-UHFFFAOYSA-N 1 2 327.409 2.199 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152143278 463652501 /nfs/dbraw/zinc/65/25/01/463652501.db2.gz AOXNJHZEQKEZEH-OAHLLOKOSA-N 1 2 331.464 2.286 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152143278 463652506 /nfs/dbraw/zinc/65/25/06/463652506.db2.gz AOXNJHZEQKEZEH-OAHLLOKOSA-N 1 2 331.464 2.286 20 30 EEEDLO N#CCOc1ccc(/C=C\C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000255384766 463722245 /nfs/dbraw/zinc/72/22/45/463722245.db2.gz LJNYGNFOZQSCEX-AFCDSYGPSA-N 1 2 336.395 2.490 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000287006410 463769642 /nfs/dbraw/zinc/76/96/42/463769642.db2.gz RDWCMHWAFIQBSZ-PBHICJAKSA-N 1 2 340.464 2.448 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000287006410 463769648 /nfs/dbraw/zinc/76/96/48/463769648.db2.gz RDWCMHWAFIQBSZ-PBHICJAKSA-N 1 2 340.464 2.448 20 30 EEEDLO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1nc(C(C)(C)C)no1 ZINC000185176811 463770320 /nfs/dbraw/zinc/77/03/20/463770320.db2.gz FOSUOEQDSFUUIV-JSGCOSHPSA-N 1 2 344.415 2.329 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277800234 463931858 /nfs/dbraw/zinc/93/18/58/463931858.db2.gz OKNMUHMFSLEKGJ-WDEREUQCSA-N 1 2 330.354 2.299 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277800234 463931863 /nfs/dbraw/zinc/93/18/63/463931863.db2.gz OKNMUHMFSLEKGJ-WDEREUQCSA-N 1 2 330.354 2.299 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2nnc(C)o2)c(OC)c1 ZINC000542611450 468385827 /nfs/dbraw/zinc/38/58/27/468385827.db2.gz FZIVLDGLSYKQHW-IUODEOHRSA-N 1 2 347.415 2.206 20 30 EEEDLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000278333019 463963458 /nfs/dbraw/zinc/96/34/58/463963458.db2.gz OOSVJLMLMHUNAK-CXAGYDPISA-N 1 2 338.835 2.057 20 30 EEEDLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000278333019 463963465 /nfs/dbraw/zinc/96/34/65/463963465.db2.gz OOSVJLMLMHUNAK-CXAGYDPISA-N 1 2 338.835 2.057 20 30 EEEDLO C=CCc1cc(C(=O)N2CCn3c[nH+]cc3C2)cc(OC)c1OC ZINC000290931768 464137752 /nfs/dbraw/zinc/13/77/52/464137752.db2.gz MOLRLODHHKHRPY-UHFFFAOYSA-N 1 2 327.384 2.285 20 30 EEEDLO N#CCOc1cccc(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000279787266 464147293 /nfs/dbraw/zinc/14/72/93/464147293.db2.gz CHBQMHRWXQSZAG-KRWDZBQOSA-N 1 2 329.400 2.171 20 30 EEEDLO N#CCOc1cccc(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000279787266 464147297 /nfs/dbraw/zinc/14/72/97/464147297.db2.gz CHBQMHRWXQSZAG-KRWDZBQOSA-N 1 2 329.400 2.171 20 30 EEEDLO C=C(C)CS(=O)(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000280490055 464213412 /nfs/dbraw/zinc/21/34/12/464213412.db2.gz BMLAVDUESVUPHY-OAHLLOKOSA-N 1 2 338.473 2.280 20 30 EEEDLO COCC[NH+]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000523663330 468399558 /nfs/dbraw/zinc/39/95/58/468399558.db2.gz JWUJBELIJGQUOU-UHFFFAOYSA-N 1 2 348.446 2.491 20 30 EEEDLO C=CC[C@@H](CC)NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000280892349 464267711 /nfs/dbraw/zinc/26/77/11/464267711.db2.gz DBGVOSQRQWITBU-GOEBONIOSA-N 1 2 332.448 2.461 20 30 EEEDLO Cc1sc(NC(=O)C[NH+]2CCC3(CC2)OCCCO3)c(C#N)c1C ZINC000293213400 464393809 /nfs/dbraw/zinc/39/38/09/464393809.db2.gz YIPZPNQVSFKZTD-UHFFFAOYSA-N 1 2 349.456 2.404 20 30 EEEDLO C[C@H](Nc1cnn(CC[NH+]2CCOCC2)c1)c1cccc(C#N)c1 ZINC000271977268 464434918 /nfs/dbraw/zinc/43/49/18/464434918.db2.gz GSFFURJDRGVUDE-HNNXBMFYSA-N 1 2 325.416 2.260 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1=O ZINC000281418814 464447653 /nfs/dbraw/zinc/44/76/53/464447653.db2.gz ROBCCAAXENUYAW-HZPDHXFCSA-N 1 2 347.846 2.164 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1=O ZINC000281418814 464447658 /nfs/dbraw/zinc/44/76/58/464447658.db2.gz ROBCCAAXENUYAW-HZPDHXFCSA-N 1 2 347.846 2.164 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCCOCC(F)(F)C(F)(F)F)cs1 ZINC000189251216 464464171 /nfs/dbraw/zinc/46/41/71/464464171.db2.gz KUJLJMYKAJYCJQ-UHFFFAOYSA-N 1 2 347.309 2.497 20 30 EEEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CSCC#N ZINC000174894821 464465091 /nfs/dbraw/zinc/46/50/91/464465091.db2.gz UBZIDIZMDDWWIP-UHFFFAOYSA-N 1 2 332.473 2.403 20 30 EEEDLO Cc1nn(C(C)C)cc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000281476008 464469813 /nfs/dbraw/zinc/46/98/13/464469813.db2.gz FLPMCGRKKVPOQK-CQSZACIVSA-N 1 2 339.447 2.145 20 30 EEEDLO Cc1nn(C(C)C)cc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000281476008 464469819 /nfs/dbraw/zinc/46/98/19/464469819.db2.gz FLPMCGRKKVPOQK-CQSZACIVSA-N 1 2 339.447 2.145 20 30 EEEDLO COCCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000245857097 464518994 /nfs/dbraw/zinc/51/89/94/464518994.db2.gz KEEQMWCDULIIQY-GDBMZVCRSA-N 1 2 331.416 2.013 20 30 EEEDLO COCCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000245857097 464518996 /nfs/dbraw/zinc/51/89/96/464518996.db2.gz KEEQMWCDULIIQY-GDBMZVCRSA-N 1 2 331.416 2.013 20 30 EEEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1cc2ccncc2s1 ZINC000596982982 468406820 /nfs/dbraw/zinc/40/68/20/468406820.db2.gz AXTCNSLCPFHSSK-UHFFFAOYSA-N 1 2 330.457 2.344 20 30 EEEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1cc2ccncc2s1 ZINC000596982982 468406828 /nfs/dbraw/zinc/40/68/28/468406828.db2.gz AXTCNSLCPFHSSK-UHFFFAOYSA-N 1 2 330.457 2.344 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc2ccncc2s1 ZINC000596982982 468406832 /nfs/dbraw/zinc/40/68/32/468406832.db2.gz AXTCNSLCPFHSSK-UHFFFAOYSA-N 1 2 330.457 2.344 20 30 EEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1CO ZINC000246347817 464574252 /nfs/dbraw/zinc/57/42/52/464574252.db2.gz JULOZCCJYJHUQH-KBPBESRZSA-N 1 2 333.457 2.476 20 30 EEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1CO ZINC000246347817 464574258 /nfs/dbraw/zinc/57/42/58/464574258.db2.gz JULOZCCJYJHUQH-KBPBESRZSA-N 1 2 333.457 2.476 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc3c(cc2OC)C[C@H](C)O3)C1=O ZINC000547406428 468411726 /nfs/dbraw/zinc/41/17/26/468411726.db2.gz AKKMDKJCQQTVJE-BBRMVZONSA-N 1 2 330.428 2.237 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc3c(cc2OC)C[C@H](C)O3)C1=O ZINC000547406428 468411732 /nfs/dbraw/zinc/41/17/32/468411732.db2.gz AKKMDKJCQQTVJE-BBRMVZONSA-N 1 2 330.428 2.237 20 30 EEEDLO C[C@H](CCC#N)n1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000591127289 468412087 /nfs/dbraw/zinc/41/20/87/468412087.db2.gz DUDKTFSPCZSJCS-ZBFHGGJFSA-N 1 2 326.404 2.111 20 30 EEEDLO C[C@H](CCC#N)n1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000591127289 468412092 /nfs/dbraw/zinc/41/20/92/468412092.db2.gz DUDKTFSPCZSJCS-ZBFHGGJFSA-N 1 2 326.404 2.111 20 30 EEEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3ccccc3Cl)CC2)C1=O ZINC000281912341 464632139 /nfs/dbraw/zinc/63/21/39/464632139.db2.gz GPPHXGYBAMPSLQ-KRWDZBQOSA-N 1 2 333.863 2.245 20 30 EEEDLO C=CCN1CC[C@H](N2CC[NH+](Cc3ccccc3Cl)CC2)C1=O ZINC000281912341 464632145 /nfs/dbraw/zinc/63/21/45/464632145.db2.gz GPPHXGYBAMPSLQ-KRWDZBQOSA-N 1 2 333.863 2.245 20 30 EEEDLO C[C@@H](C#N)CNC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000176079428 464693943 /nfs/dbraw/zinc/69/39/43/464693943.db2.gz GPRSHKINTSGUSI-ZDUSSCGKSA-N 1 2 338.411 2.433 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)Cc2cccc(C#N)c2)CC1(C)C ZINC000295172648 464732572 /nfs/dbraw/zinc/73/25/72/464732572.db2.gz ARYVJZFDADELEV-HNNXBMFYSA-N 1 2 344.440 2.205 20 30 EEEDLO C=CCC[C@H](C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccccc1 ZINC000275179585 464765956 /nfs/dbraw/zinc/76/59/56/464765956.db2.gz USDHGCQZRPTUNJ-KRWDZBQOSA-N 1 2 343.471 2.145 20 30 EEEDLO Cn1cc([C@H]2CSCC[N@@H+]2CCOc2ccccc2C#N)cn1 ZINC000191205168 464797891 /nfs/dbraw/zinc/79/78/91/464797891.db2.gz DFGGACCOSXRXOQ-MRXNPFEDSA-N 1 2 328.441 2.461 20 30 EEEDLO Cn1cc([C@H]2CSCC[N@H+]2CCOc2ccccc2C#N)cn1 ZINC000191205168 464797899 /nfs/dbraw/zinc/79/78/99/464797899.db2.gz DFGGACCOSXRXOQ-MRXNPFEDSA-N 1 2 328.441 2.461 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCc1nc(-c2cccs2)no1 ZINC000569008488 468424849 /nfs/dbraw/zinc/42/48/49/468424849.db2.gz PRTRENLUIDZSNG-INIZCTEOSA-N 1 2 347.444 2.081 20 30 EEEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C[C@@H]1C ZINC000249098151 464840700 /nfs/dbraw/zinc/84/07/00/464840700.db2.gz PBLIAFQUXVJAIU-GXFFZTMASA-N 1 2 349.456 2.306 20 30 EEEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C[C@@H]1C ZINC000249098151 464840702 /nfs/dbraw/zinc/84/07/02/464840702.db2.gz PBLIAFQUXVJAIU-GXFFZTMASA-N 1 2 349.456 2.306 20 30 EEEDLO C=CCOc1cccc(C[NH+]2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1 ZINC000192609557 464958248 /nfs/dbraw/zinc/95/82/48/464958248.db2.gz DPRQABZOOJPQPI-INIZCTEOSA-N 1 2 343.471 2.036 20 30 EEEDLO C=CCOc1cccc(CN2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)c1 ZINC000192609557 464958252 /nfs/dbraw/zinc/95/82/52/464958252.db2.gz DPRQABZOOJPQPI-INIZCTEOSA-N 1 2 343.471 2.036 20 30 EEEDLO Cc1nsc(N2CCN(Cc3c[nH+]c4ccccn34)CC2)c1C#N ZINC000329792298 465436280 /nfs/dbraw/zinc/43/62/80/465436280.db2.gz VBONGPWYQXBYKD-UHFFFAOYSA-N 1 2 338.440 2.293 20 30 EEEDLO CCN1CCC[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1=O ZINC000329897866 465466871 /nfs/dbraw/zinc/46/68/71/465466871.db2.gz DFUKREVGQZKXFN-UHFFFAOYSA-N 1 2 333.476 2.466 20 30 EEEDLO CCN1CCC[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1=O ZINC000329897866 465466879 /nfs/dbraw/zinc/46/68/79/465466879.db2.gz DFUKREVGQZKXFN-UHFFFAOYSA-N 1 2 333.476 2.466 20 30 EEEDLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000329946294 465483201 /nfs/dbraw/zinc/48/32/01/465483201.db2.gz GHKGNUBJCDLZNI-XWIAVFTESA-N 1 2 340.427 2.226 20 30 EEEDLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000329946294 465483207 /nfs/dbraw/zinc/48/32/07/465483207.db2.gz GHKGNUBJCDLZNI-XWIAVFTESA-N 1 2 340.427 2.226 20 30 EEEDLO C[C@H](C(=O)Nc1cccc2ncccc21)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329946294 465483214 /nfs/dbraw/zinc/48/32/14/465483214.db2.gz GHKGNUBJCDLZNI-XWIAVFTESA-N 1 2 340.427 2.226 20 30 EEEDLO C[C@H](C(=O)Nc1cccc2ncccc21)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329946294 465483218 /nfs/dbraw/zinc/48/32/18/465483218.db2.gz GHKGNUBJCDLZNI-XWIAVFTESA-N 1 2 340.427 2.226 20 30 EEEDLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CC1(C#N)CC1 ZINC000343236498 465492470 /nfs/dbraw/zinc/49/24/70/465492470.db2.gz HZPDMUHBJMACPT-OAHLLOKOSA-N 1 2 344.411 2.470 20 30 EEEDLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CC1(C#N)CC1 ZINC000343236498 465492476 /nfs/dbraw/zinc/49/24/76/465492476.db2.gz HZPDMUHBJMACPT-OAHLLOKOSA-N 1 2 344.411 2.470 20 30 EEEDLO CN1C[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CC1=O ZINC000329981972 465495695 /nfs/dbraw/zinc/49/56/95/465495695.db2.gz OHFGBTJQNYXJOM-AGIUHOORSA-N 1 2 339.436 2.095 20 30 EEEDLO CN1C[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CC1=O ZINC000329981972 465495700 /nfs/dbraw/zinc/49/57/00/465495700.db2.gz OHFGBTJQNYXJOM-AGIUHOORSA-N 1 2 339.436 2.095 20 30 EEEDLO CC[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000298803020 465510220 /nfs/dbraw/zinc/51/02/20/465510220.db2.gz MGZOIWPNYLKEHF-GOSISDBHSA-N 1 2 329.444 2.255 20 30 EEEDLO C=CCNc1ncc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)s1 ZINC000359968811 465512986 /nfs/dbraw/zinc/51/29/86/465512986.db2.gz CRUUMYTWXKIXCL-UHFFFAOYSA-N 1 2 340.412 2.633 20 30 EEEDLO COc1ccc(OC)c([C@H](C)NC(=O)C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352492496 465535659 /nfs/dbraw/zinc/53/56/59/465535659.db2.gz YTCXUZDKOVDKKM-ZDUSSCGKSA-N 1 2 349.406 2.209 20 30 EEEDLO Cc1ccccc1N1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330181981 465560856 /nfs/dbraw/zinc/56/08/56/465560856.db2.gz GXKBCUKIBARKQU-MRXNPFEDSA-N 1 2 339.443 2.243 20 30 EEEDLO Cc1ccccc1N1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330181981 465560861 /nfs/dbraw/zinc/56/08/61/465560861.db2.gz GXKBCUKIBARKQU-MRXNPFEDSA-N 1 2 339.443 2.243 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000360827791 465613424 /nfs/dbraw/zinc/61/34/24/465613424.db2.gz GEQHQBLYJHLAOR-AWEZNQCLSA-N 1 2 331.420 2.236 20 30 EEEDLO CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000360827791 465613429 /nfs/dbraw/zinc/61/34/29/465613429.db2.gz GEQHQBLYJHLAOR-AWEZNQCLSA-N 1 2 331.420 2.236 20 30 EEEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CC[C@H](O)C12CCCC2 ZINC000330362010 465631186 /nfs/dbraw/zinc/63/11/86/465631186.db2.gz ZAERZDJPBADQGU-HNNXBMFYSA-N 1 2 332.448 2.055 20 30 EEEDLO CNC(=O)c1cccc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)c1C ZINC000330515193 465689485 /nfs/dbraw/zinc/68/94/85/465689485.db2.gz LNRNQCMCULEDFR-UHFFFAOYSA-N 1 2 348.447 2.366 20 30 EEEDLO CNC(=O)c1cccc(NC(=O)NCC[N@H+]2CCOCC2(C)C)c1C ZINC000330515193 465689495 /nfs/dbraw/zinc/68/94/95/465689495.db2.gz LNRNQCMCULEDFR-UHFFFAOYSA-N 1 2 348.447 2.366 20 30 EEEDLO CC[C@@H](C)[C@@H](OC)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000353556539 465976475 /nfs/dbraw/zinc/97/64/75/465976475.db2.gz CZCMTCNFPRFOBM-CRAIPNDOSA-N 1 2 329.444 2.264 20 30 EEEDLO CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000331219627 465984569 /nfs/dbraw/zinc/98/45/69/465984569.db2.gz AWIPDAUWRCIPKL-ILXRZTDVSA-N 1 2 340.468 2.037 20 30 EEEDLO CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000331219627 465984576 /nfs/dbraw/zinc/98/45/76/465984576.db2.gz AWIPDAUWRCIPKL-ILXRZTDVSA-N 1 2 340.468 2.037 20 30 EEEDLO CCc1cc(NS(=O)(=O)c2cncc(C#N)c2)c2ccccc2[nH+]1 ZINC000357392100 465999389 /nfs/dbraw/zinc/99/93/89/465999389.db2.gz RNDBQGZVIOSGFF-UHFFFAOYSA-N 1 2 338.392 2.287 20 30 EEEDLO Cc1c(Br)scc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000580650340 468480523 /nfs/dbraw/zinc/48/05/23/468480523.db2.gz WQVOQRVCHRHDCT-LBPRGKRZSA-N 1 2 330.251 2.393 20 30 EEEDLO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000331800317 466248816 /nfs/dbraw/zinc/24/88/16/466248816.db2.gz SCJIHSJWQUPQST-STQMWFEESA-N 1 2 326.400 2.032 20 30 EEEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000338623714 466268103 /nfs/dbraw/zinc/26/81/03/466268103.db2.gz CAXRVUPPHQCPGW-AOIWGVFYSA-N 1 2 347.422 2.138 20 30 EEEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000338623714 466268112 /nfs/dbraw/zinc/26/81/12/466268112.db2.gz CAXRVUPPHQCPGW-AOIWGVFYSA-N 1 2 347.422 2.138 20 30 EEEDLO Cc1cccc2ncc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)n21 ZINC000349970290 466333657 /nfs/dbraw/zinc/33/36/57/466333657.db2.gz YZNWIKGYBTWJGB-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@H+](CCCNC(=O)C(F)(F)F)CCO2)c1 ZINC000367679554 466486805 /nfs/dbraw/zinc/48/68/05/466486805.db2.gz URZVGVRBKNRFPI-AWEZNQCLSA-N 1 2 341.333 2.000 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCCNC(=O)C(F)(F)F)CCO2)c1 ZINC000367679554 466486815 /nfs/dbraw/zinc/48/68/15/466486815.db2.gz URZVGVRBKNRFPI-AWEZNQCLSA-N 1 2 341.333 2.000 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000367738460 466526855 /nfs/dbraw/zinc/52/68/55/466526855.db2.gz AVHRDWNUKZYBMO-HNNXBMFYSA-N 1 2 334.439 2.156 20 30 EEEDLO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C#N)c1 ZINC000433289560 467315002 /nfs/dbraw/zinc/31/50/02/467315002.db2.gz QFWHNVMQVZRRIW-CYBMUJFWSA-N 1 2 333.432 2.363 20 30 EEEDLO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433289560 467315003 /nfs/dbraw/zinc/31/50/03/467315003.db2.gz QFWHNVMQVZRRIW-CYBMUJFWSA-N 1 2 333.432 2.363 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(F)c(Br)c1 ZINC000414139600 467381829 /nfs/dbraw/zinc/38/18/29/467381829.db2.gz GJMHDFSDXCPXHH-SNVBAGLBSA-N 1 2 331.185 2.173 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(F)c(Br)c1 ZINC000414139600 467381832 /nfs/dbraw/zinc/38/18/32/467381832.db2.gz GJMHDFSDXCPXHH-SNVBAGLBSA-N 1 2 331.185 2.173 20 30 EEEDLO N#Cc1ccc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000420888907 467504957 /nfs/dbraw/zinc/50/49/57/467504957.db2.gz NRUKJYSWEWDPFO-UHFFFAOYSA-N 1 2 327.413 2.047 20 30 EEEDLO CCOc1ccc2c(c1)CC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)C2 ZINC000441085784 467571613 /nfs/dbraw/zinc/57/16/13/467571613.db2.gz FDNRFGSMOPZINA-OAHLLOKOSA-N 1 2 329.444 2.452 20 30 EEEDLO CCOc1ccc2c(c1)CC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)C2 ZINC000441085784 467571615 /nfs/dbraw/zinc/57/16/15/467571615.db2.gz FDNRFGSMOPZINA-OAHLLOKOSA-N 1 2 329.444 2.452 20 30 EEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000528509600 467691632 /nfs/dbraw/zinc/69/16/32/467691632.db2.gz UJGBZTCEOPDNDH-SFHVURJKSA-N 1 2 348.406 2.236 20 30 EEEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000528509600 467691634 /nfs/dbraw/zinc/69/16/34/467691634.db2.gz UJGBZTCEOPDNDH-SFHVURJKSA-N 1 2 348.406 2.236 20 30 EEEDLO C[C@@H]1CC(F)(F)CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000528765059 467749114 /nfs/dbraw/zinc/74/91/14/467749114.db2.gz GJTVDBZMYQBHPI-GFCCVEGCSA-N 1 2 328.384 2.452 20 30 EEEDLO C[C@@H]1CC(F)(F)CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000528765059 467749118 /nfs/dbraw/zinc/74/91/18/467749118.db2.gz GJTVDBZMYQBHPI-GFCCVEGCSA-N 1 2 328.384 2.452 20 30 EEEDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ncccc1F ZINC000528828100 467764963 /nfs/dbraw/zinc/76/49/63/467764963.db2.gz LWRDHWIVALPRQZ-LBPRGKRZSA-N 1 2 333.388 2.217 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000457422071 467820098 /nfs/dbraw/zinc/82/00/98/467820098.db2.gz QKIRUUQEPROMPP-ROUUACIJSA-N 1 2 329.444 2.097 20 30 EEEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc(F)cc(F)c3)CC2)c1C#N ZINC000471817357 467976833 /nfs/dbraw/zinc/97/68/33/467976833.db2.gz UAGXBUDOPIVIJS-UHFFFAOYSA-N 1 2 331.370 2.201 20 30 EEEDLO CN1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)c2ccc[nH+]c21 ZINC000487103393 468022979 /nfs/dbraw/zinc/02/29/79/468022979.db2.gz WGBWUQLDXCNSDK-UHFFFAOYSA-N 1 2 348.815 2.252 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000531841454 468080378 /nfs/dbraw/zinc/08/03/78/468080378.db2.gz AEUNHHRNDHIEFV-CHWSQXEVSA-N 1 2 335.370 2.038 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000531841454 468080381 /nfs/dbraw/zinc/08/03/81/468080381.db2.gz AEUNHHRNDHIEFV-CHWSQXEVSA-N 1 2 335.370 2.038 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(F)c1Br ZINC000517572609 468089585 /nfs/dbraw/zinc/08/95/85/468089585.db2.gz PFZJWGPSGCEOJI-ZDUSSCGKSA-N 1 2 328.185 2.162 20 30 EEEDLO N#Cc1cccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000589252921 468137047 /nfs/dbraw/zinc/13/70/47/468137047.db2.gz CWFPHUGYCNDUBG-VMPITWQZSA-N 1 2 332.407 2.424 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)ccc1Cl ZINC000548813165 468140366 /nfs/dbraw/zinc/14/03/66/468140366.db2.gz UCODTSIYBKDBET-INIZCTEOSA-N 1 2 326.787 2.393 20 30 EEEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1-c1c(F)cccc1F ZINC000576588364 468169212 /nfs/dbraw/zinc/16/92/12/468169212.db2.gz SVFBDKHTXUWADX-QGZVFWFLSA-N 1 2 347.369 2.033 20 30 EEEDLO COc1cc(Br)cc(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000591774516 468519293 /nfs/dbraw/zinc/51/92/93/468519293.db2.gz YUSOZNOUKNPQON-ZDUSSCGKSA-N 1 2 342.237 2.076 20 30 EEEDLO COc1cc(Br)cc(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000591774516 468519296 /nfs/dbraw/zinc/51/92/96/468519296.db2.gz YUSOZNOUKNPQON-ZDUSSCGKSA-N 1 2 342.237 2.076 20 30 EEEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc(Cl)c(C#N)c2)C[C@H](C)O1 ZINC000582466355 468543469 /nfs/dbraw/zinc/54/34/69/468543469.db2.gz CWPDNUJTCDRHML-BETUJISGSA-N 1 2 335.835 2.393 20 30 EEEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc(Cl)c(C#N)c2)C[C@H](C)O1 ZINC000582466355 468543474 /nfs/dbraw/zinc/54/34/74/468543474.db2.gz CWPDNUJTCDRHML-BETUJISGSA-N 1 2 335.835 2.393 20 30 EEEDLO CCOc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)ccc1O ZINC000570141817 468594564 /nfs/dbraw/zinc/59/45/64/468594564.db2.gz PJZCBSSKORLOKA-UHFFFAOYSA-N 1 2 338.411 2.380 20 30 EEEDLO Cn1ncc2c1CCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)C2 ZINC000583190311 468658315 /nfs/dbraw/zinc/65/83/15/468658315.db2.gz YPYLWYVJWVRNNX-UHFFFAOYSA-N 1 2 337.427 2.115 20 30 EEEDLO Cn1ncc2c1CCC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C2 ZINC000583190311 468658323 /nfs/dbraw/zinc/65/83/23/468658323.db2.gz YPYLWYVJWVRNNX-UHFFFAOYSA-N 1 2 337.427 2.115 20 30 EEEDLO CCN1CCN(C(=O)Nc2ccc(C#N)c(F)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000570977941 468722905 /nfs/dbraw/zinc/72/29/05/468722905.db2.gz IBABPHRPURTDAT-HNNXBMFYSA-N 1 2 342.378 2.331 20 30 EEEDLO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc1Cl ZINC000584090697 468797083 /nfs/dbraw/zinc/79/70/83/468797083.db2.gz PALSJKJNFIGRAS-GFCCVEGCSA-N 1 2 325.821 2.277 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc2ccccc2n1 ZINC000595340929 468817154 /nfs/dbraw/zinc/81/71/54/468817154.db2.gz ZEUDTSZOVNRBIO-CQSZACIVSA-N 1 2 345.410 2.002 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc2ccccc2n1 ZINC000595340929 468817157 /nfs/dbraw/zinc/81/71/57/468817157.db2.gz ZEUDTSZOVNRBIO-CQSZACIVSA-N 1 2 345.410 2.002 20 30 EEEDLO N#Cc1ccccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595396816 468838112 /nfs/dbraw/zinc/83/81/12/468838112.db2.gz RURCHLKDMQKWCF-KRWDZBQOSA-N 1 2 341.436 2.111 20 30 EEEDLO N#Cc1ccccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000595396816 468838116 /nfs/dbraw/zinc/83/81/16/468838116.db2.gz RURCHLKDMQKWCF-KRWDZBQOSA-N 1 2 341.436 2.111 20 30 EEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCn2c[nH+]cc2C1 ZINC000595489288 468873876 /nfs/dbraw/zinc/87/38/76/468873876.db2.gz FTNJJLPRBTZQCT-NSHDSACASA-N 1 2 341.440 2.148 20 30 EEEDLO C[C@@H]1C[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CCC1(F)F ZINC000562228644 468924115 /nfs/dbraw/zinc/92/41/15/468924115.db2.gz JEDGORBCHKWKTI-RISCZKNCSA-N 1 2 333.338 2.167 20 30 EEEDLO C[C@@H]1C[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CCC1(F)F ZINC000562228644 468924119 /nfs/dbraw/zinc/92/41/19/468924119.db2.gz JEDGORBCHKWKTI-RISCZKNCSA-N 1 2 333.338 2.167 20 30 EEEDLO C=CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](C)COC ZINC000595639813 468934746 /nfs/dbraw/zinc/93/47/46/468934746.db2.gz WUJLLHYVJBJDJJ-CYBMUJFWSA-N 1 2 333.388 2.007 20 30 EEEDLO C=CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](C)COC ZINC000595639813 468934751 /nfs/dbraw/zinc/93/47/51/468934751.db2.gz WUJLLHYVJBJDJJ-CYBMUJFWSA-N 1 2 333.388 2.007 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)ccc1F ZINC000601726568 468988144 /nfs/dbraw/zinc/98/81/44/468988144.db2.gz BFBCLIXOYBSJFU-UHFFFAOYSA-N 1 2 339.370 2.361 20 30 EEEDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)C2 ZINC000595758730 468991900 /nfs/dbraw/zinc/99/19/00/468991900.db2.gz FHPXINJQLZWMPA-UHFFFAOYSA-N 1 2 335.407 2.241 20 30 EEEDLO COc1ccc2c(c1)CC[N@H+](CC(=O)NCc1cccc(C#N)c1)C2 ZINC000595758730 468991909 /nfs/dbraw/zinc/99/19/09/468991909.db2.gz FHPXINJQLZWMPA-UHFFFAOYSA-N 1 2 335.407 2.241 20 30 EEEDLO COc1cccc(CC(=O)N2CC[NH+](CC3(CC#N)CC3)CC2)c1 ZINC000602769178 469062780 /nfs/dbraw/zinc/06/27/80/469062780.db2.gz NPQJIOFKWODCAA-UHFFFAOYSA-N 1 2 327.428 2.076 20 30 EEEDLO CN(Cc1cccc(C#N)c1)c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000596076404 469143350 /nfs/dbraw/zinc/14/33/50/469143350.db2.gz QFZZEHMIZNYOOP-UHFFFAOYSA-N 1 2 337.427 2.336 20 30 EEEDLO CN(Cc1cccc(C#N)c1)c1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000596076404 469143360 /nfs/dbraw/zinc/14/33/60/469143360.db2.gz QFZZEHMIZNYOOP-UHFFFAOYSA-N 1 2 337.427 2.336 20 30 EEEDLO N#Cc1cnn(-c2ccccc2NC(=O)c2ccc3[nH+]ccn3c2)c1N ZINC000588834985 469169075 /nfs/dbraw/zinc/16/90/75/469169075.db2.gz JPYNWBAHMKKNON-UHFFFAOYSA-N 1 2 343.350 2.226 20 30 EEEDLO COc1ccc(-c2nc(C[NH+]3CCN(CCC#N)CC3)co2)cc1 ZINC000611175783 469181546 /nfs/dbraw/zinc/18/15/46/469181546.db2.gz SAOQCNIUPHFONX-UHFFFAOYSA-N 1 2 326.400 2.381 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccnc1C(F)(F)F ZINC000599308685 469203747 /nfs/dbraw/zinc/20/37/47/469203747.db2.gz WXCUSZZETIARTM-UHFFFAOYSA-N 1 2 342.365 2.148 20 30 EEEDLO C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1nc(C(C)(C)C)no1 ZINC000599370530 469231761 /nfs/dbraw/zinc/23/17/61/469231761.db2.gz JJJVYXFRFLRGEO-JSGCOSHPSA-N 1 2 344.415 2.329 20 30 EEEDLO CC(C)n1cc[nH+]c1CN1CCCN(C(=O)[C@]2(C#N)C[C@H]2C)CC1 ZINC000565402048 469272778 /nfs/dbraw/zinc/27/27/78/469272778.db2.gz IIFZXLMLMVESGQ-QAPCUYQASA-N 1 2 329.448 2.048 20 30 EEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccnc(C#N)c2)CC1 ZINC000603128477 469275784 /nfs/dbraw/zinc/27/57/84/469275784.db2.gz JEZKRVHMALTTTR-AWEZNQCLSA-N 1 2 336.399 2.259 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599649057 469322735 /nfs/dbraw/zinc/32/27/35/469322735.db2.gz XHVIVLONQUQKSP-AWEZNQCLSA-N 1 2 327.428 2.481 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599649057 469322737 /nfs/dbraw/zinc/32/27/37/469322737.db2.gz XHVIVLONQUQKSP-AWEZNQCLSA-N 1 2 327.428 2.481 20 30 EEEDLO C=C[C@H](CO)[NH2+]Cc1c(F)ccc(I)c1F ZINC000603431258 469393713 /nfs/dbraw/zinc/39/37/13/469393713.db2.gz FOUZRUBYNWMKOP-SSDOTTSWSA-N 1 2 339.123 2.206 20 30 EEEDLO COc1cccc(OC)c1OC[C@@H](O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164779 469409007 /nfs/dbraw/zinc/40/90/07/469409007.db2.gz IXYOCEBERIXWHX-KSSFIOAISA-N 1 2 334.416 2.069 20 30 EEEDLO COc1cccc(OC)c1OC[C@@H](O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164779 469409011 /nfs/dbraw/zinc/40/90/11/469409011.db2.gz IXYOCEBERIXWHX-KSSFIOAISA-N 1 2 334.416 2.069 20 30 EEEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000619450175 469611274 /nfs/dbraw/zinc/61/12/74/469611274.db2.gz SXZPWIIIJIJVTD-RBUKOAKNSA-N 1 2 339.439 2.305 20 30 EEEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000619450175 469611279 /nfs/dbraw/zinc/61/12/79/469611279.db2.gz SXZPWIIIJIJVTD-RBUKOAKNSA-N 1 2 339.439 2.305 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000613638428 469754795 /nfs/dbraw/zinc/75/47/95/469754795.db2.gz HLWDOMDHGTUEOK-INIZCTEOSA-N 1 2 335.492 2.298 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000613638428 469754799 /nfs/dbraw/zinc/75/47/99/469754799.db2.gz HLWDOMDHGTUEOK-INIZCTEOSA-N 1 2 335.492 2.298 20 30 EEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc2ccccc2n1CC#N ZINC000609175301 469899677 /nfs/dbraw/zinc/89/96/77/469899677.db2.gz NAALGQVXDBPDPQ-UHFFFAOYSA-N 1 2 340.427 2.005 20 30 EEEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc2ccccc2n1CC#N ZINC000609175301 469899683 /nfs/dbraw/zinc/89/96/83/469899683.db2.gz NAALGQVXDBPDPQ-UHFFFAOYSA-N 1 2 340.427 2.005 20 30 EEEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2cccc(O)c2)C1=O ZINC000609432382 469927215 /nfs/dbraw/zinc/92/72/15/469927215.db2.gz HKWZEVZBFLSCQM-QGZVFWFLSA-N 1 2 335.363 2.028 20 30 EEEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2cccc(O)c2)C1=O ZINC000609432382 469927218 /nfs/dbraw/zinc/92/72/18/469927218.db2.gz HKWZEVZBFLSCQM-QGZVFWFLSA-N 1 2 335.363 2.028 20 30 EEEDLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000610003941 469974043 /nfs/dbraw/zinc/97/40/43/469974043.db2.gz RHACLNOQBADCKX-CQSZACIVSA-N 1 2 328.391 2.401 20 30 EEEDLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000610003941 469974047 /nfs/dbraw/zinc/97/40/47/469974047.db2.gz RHACLNOQBADCKX-CQSZACIVSA-N 1 2 328.391 2.401 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000649014741 470432717 /nfs/dbraw/zinc/43/27/17/470432717.db2.gz RQTJRKDDRCDXEI-IKGGRYGDSA-N 1 2 325.412 2.411 20 30 EEEDLO C=CCCn1cc(C[NH2+]Cc2cc(OC)c(OC)cc2OC)nn1 ZINC000657292445 471086794 /nfs/dbraw/zinc/08/67/94/471086794.db2.gz OBKACGQXDPNZEI-UHFFFAOYSA-N 1 2 332.404 2.170 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)nn1 ZINC000657486003 471150186 /nfs/dbraw/zinc/15/01/86/471150186.db2.gz QJUKXOMVRLPVJX-CABCVRRESA-N 1 2 339.443 2.310 20 30 EEEDLO C=CC[C@H]1CCCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000666239709 471326239 /nfs/dbraw/zinc/32/62/39/471326239.db2.gz KEDHEDOKEMWCCP-INIZCTEOSA-N 1 2 347.463 2.035 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)[C@@H](C)COC ZINC000661243057 471686646 /nfs/dbraw/zinc/68/66/46/471686646.db2.gz XELJAPWEKJTBSX-NSHDSACASA-N 1 2 326.466 2.297 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)[C@@H](C)COC ZINC000661243057 471686654 /nfs/dbraw/zinc/68/66/54/471686654.db2.gz XELJAPWEKJTBSX-NSHDSACASA-N 1 2 326.466 2.297 20 30 EEEDLO C=CCOc1ccc(CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc1 ZINC000664869911 471884229 /nfs/dbraw/zinc/88/42/29/471884229.db2.gz VNTVTGIUSUWOOZ-CVEARBPZSA-N 1 2 347.459 2.160 20 30 EEEDLO C=CCOc1ccc(CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc1 ZINC000664869911 471884233 /nfs/dbraw/zinc/88/42/33/471884233.db2.gz VNTVTGIUSUWOOZ-CVEARBPZSA-N 1 2 347.459 2.160 20 30 EEEDLO N#CC1(CNC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CCC1 ZINC000419397999 485686073 /nfs/dbraw/zinc/68/60/73/485686073.db2.gz GHDXEDCGNUFOOG-QGZVFWFLSA-N 1 2 342.443 2.053 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC001034462656 1196241649 /nfs/dbraw/zinc/24/16/49/1196241649.db2.gz LANULOZNSIKEOX-HIFRSBDPSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC001034462656 1196241651 /nfs/dbraw/zinc/24/16/51/1196241651.db2.gz LANULOZNSIKEOX-HIFRSBDPSA-N 1 2 345.281 2.292 20 30 EEEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)CCC2 ZINC000350657830 534508493 /nfs/dbraw/zinc/50/84/93/534508493.db2.gz SRQXYNUBACGYDB-QZTJIDSGSA-N 1 2 347.422 2.439 20 30 EEEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]O[C@@H]2CCOC2)cc1 ZINC000495613575 534892673 /nfs/dbraw/zinc/89/26/73/534892673.db2.gz XZHAHHCQLFELOB-CQSZACIVSA-N 1 2 335.404 2.137 20 30 EEEDLO C#CCCCC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000192100922 526683419 /nfs/dbraw/zinc/68/34/19/526683419.db2.gz OJVWPRXOQNNFLD-GOSISDBHSA-N 1 2 341.411 2.446 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000362298597 526708212 /nfs/dbraw/zinc/70/82/12/526708212.db2.gz VPKHCCMTXRHDID-IRXDYDNUSA-N 1 2 335.492 2.134 20 30 EEEDLO C=CCOCCCC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000079990226 526732208 /nfs/dbraw/zinc/73/22/08/526732208.db2.gz OIIIUYBNMCPSRU-UHFFFAOYSA-N 1 2 332.444 2.322 20 30 EEEDLO C#CC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000192231161 526800265 /nfs/dbraw/zinc/80/02/65/526800265.db2.gz MXWINKRHWHVEGU-UHFFFAOYSA-N 1 2 345.424 2.331 20 30 EEEDLO C#CC[N@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000192231161 526800274 /nfs/dbraw/zinc/80/02/74/526800274.db2.gz MXWINKRHWHVEGU-UHFFFAOYSA-N 1 2 345.424 2.331 20 30 EEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726252557 576249188 /nfs/dbraw/zinc/24/91/88/576249188.db2.gz ISYHVZVBJVDPGP-AWEZNQCLSA-N 1 2 346.431 2.188 20 30 EEEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726252557 576249190 /nfs/dbraw/zinc/24/91/90/576249190.db2.gz ISYHVZVBJVDPGP-AWEZNQCLSA-N 1 2 346.431 2.188 20 30 EEEDLO C[C@@H](OC(=O)c1ccc2[nH+]ccn2c1)C(=O)NC1(C#N)CCCCC1 ZINC000731907385 577132316 /nfs/dbraw/zinc/13/23/16/577132316.db2.gz GHZAXFQSMGLMCX-CYBMUJFWSA-N 1 2 340.383 2.222 20 30 EEEDLO C#CCNC(=O)c1ccc(NCCc2[nH+]c3ccccc3n2CC)nc1 ZINC000732920331 577197238 /nfs/dbraw/zinc/19/72/38/577197238.db2.gz PDQMOROAEXHQSN-UHFFFAOYSA-N 1 2 347.422 2.469 20 30 EEEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)COc2ccc(Cl)cc2)CC1 ZINC000772110688 577252173 /nfs/dbraw/zinc/25/21/73/577252173.db2.gz WLEABYAGSLKUPF-UHFFFAOYSA-N 1 2 349.814 2.176 20 30 EEEDLO C=CC[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccncc1 ZINC000734665899 577317085 /nfs/dbraw/zinc/31/70/85/577317085.db2.gz SQXGSOSQLPTOQO-INIZCTEOSA-N 1 2 332.448 2.109 20 30 EEEDLO C=CC[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccncc1 ZINC000734665899 577317088 /nfs/dbraw/zinc/31/70/88/577317088.db2.gz SQXGSOSQLPTOQO-INIZCTEOSA-N 1 2 332.448 2.109 20 30 EEEDLO C#C[C@H]([NH2+]Cc1cc2c(cc1Br)OCO2)[C@H]1CCCO1 ZINC000775342686 577435463 /nfs/dbraw/zinc/43/54/63/577435463.db2.gz SLJKOZNZNFBBLF-QWHCGFSZSA-N 1 2 338.201 2.448 20 30 EEEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000766963582 577527938 /nfs/dbraw/zinc/52/79/38/577527938.db2.gz WFVYUDFNJBQIHD-IPYPFGDCSA-N 1 2 336.395 2.333 20 30 EEEDLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000766963582 577527939 /nfs/dbraw/zinc/52/79/39/577527939.db2.gz WFVYUDFNJBQIHD-IPYPFGDCSA-N 1 2 336.395 2.333 20 30 EEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc(C#N)cc1OC(F)F ZINC000753118126 577781888 /nfs/dbraw/zinc/78/18/88/577781888.db2.gz DKCGZQREVQCQST-UHFFFAOYSA-N 1 2 340.330 2.073 20 30 EEEDLO Cc1cccn2cc(CCNC(=O)COc3cccc(C#N)c3)[nH+]c12 ZINC000746539180 577929702 /nfs/dbraw/zinc/92/97/02/577929702.db2.gz FPMSJZLGGJQJLX-UHFFFAOYSA-N 1 2 334.379 2.252 20 30 EEEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cn3ccsc3=O)CC2)c1 ZINC000746616673 577931020 /nfs/dbraw/zinc/93/10/20/577931020.db2.gz XHWLVLFULHBIDC-UHFFFAOYSA-N 1 2 342.424 2.090 20 30 EEEDLO C[C@H](NC(=O)c1cscn1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969398788 674942833 /nfs/dbraw/zinc/94/28/33/674942833.db2.gz LGESORXDTCSGPP-NSHDSACASA-N 1 2 344.415 2.404 20 30 EEEDLO Cc1nc(C[NH+]2CC([C@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)sc1C ZINC000969513422 675084849 /nfs/dbraw/zinc/08/48/49/675084849.db2.gz CWDGZHFMRDTQGU-NSHDSACASA-N 1 2 343.456 2.210 20 30 EEEDLO CCn1ccnc1C(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969576048 675114261 /nfs/dbraw/zinc/11/42/61/675114261.db2.gz QDKJYMQKBFRGFS-CQSZACIVSA-N 1 2 337.427 2.025 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](Cc3nc(C)cs3)C2)nc1 ZINC000970764489 676136165 /nfs/dbraw/zinc/13/61/65/676136165.db2.gz UQUFZRRSYJWXJU-ZDUSSCGKSA-N 1 2 340.452 2.078 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(C)cn3ccnc23)C1 ZINC000970207190 675705098 /nfs/dbraw/zinc/70/50/98/675705098.db2.gz USQVVFOEUMLEGT-ZDUSSCGKSA-N 1 2 332.835 2.445 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2Cc3cccc(C)c3O2)C1 ZINC000971000886 676307084 /nfs/dbraw/zinc/30/70/84/676307084.db2.gz VVSBHCBNFAWKNR-CJNGLKHVSA-N 1 2 334.847 2.488 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccnc(F)c2)C1 ZINC000971186849 676433589 /nfs/dbraw/zinc/43/35/89/676433589.db2.gz LJCXXHHRPLLIEP-LBPRGKRZSA-N 1 2 342.212 2.276 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2ccnc(F)c2)C1 ZINC000971186849 676433591 /nfs/dbraw/zinc/43/35/91/676433591.db2.gz LJCXXHHRPLLIEP-LBPRGKRZSA-N 1 2 342.212 2.276 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](OC)C3CCCCC3)C2)C1 ZINC000972702625 679685637 /nfs/dbraw/zinc/68/56/37/679685637.db2.gz LIHBXGQASPYZMN-PKOBYXMFSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](OC)C3CCCCC3)C2)C1 ZINC000972702625 679685640 /nfs/dbraw/zinc/68/56/40/679685640.db2.gz LIHBXGQASPYZMN-PKOBYXMFSA-N 1 2 336.476 2.071 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C(F)F ZINC000972711177 679707557 /nfs/dbraw/zinc/70/75/57/679707557.db2.gz BVUFMVBJORBUSK-CYBMUJFWSA-N 1 2 325.334 2.289 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C(F)F ZINC000972711177 679707558 /nfs/dbraw/zinc/70/75/58/679707558.db2.gz BVUFMVBJORBUSK-CYBMUJFWSA-N 1 2 325.334 2.289 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001022355599 676845894 /nfs/dbraw/zinc/84/58/94/676845894.db2.gz SVLCLTMVYAPSIY-IYBDPMFKSA-N 1 2 349.438 2.211 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000972386326 678636851 /nfs/dbraw/zinc/63/68/51/678636851.db2.gz BOVCRKWDOFFICS-ZJOUEHCJSA-N 1 2 338.451 2.117 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000972386326 678636855 /nfs/dbraw/zinc/63/68/55/678636855.db2.gz BOVCRKWDOFFICS-ZJOUEHCJSA-N 1 2 338.451 2.117 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(F)F)nc3)C2)C1 ZINC000972404940 678689784 /nfs/dbraw/zinc/68/97/84/678689784.db2.gz JQFHSJUUYPXPKW-QGZVFWFLSA-N 1 2 337.370 2.122 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(F)F)nc3)C2)C1 ZINC000972404940 678689787 /nfs/dbraw/zinc/68/97/87/678689787.db2.gz JQFHSJUUYPXPKW-QGZVFWFLSA-N 1 2 337.370 2.122 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccnn3C(CC)CC)C2)C1 ZINC000972407749 678696352 /nfs/dbraw/zinc/69/63/52/678696352.db2.gz GWAAVUMYMHOTGM-IBGZPJMESA-N 1 2 346.475 2.347 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccnn3C(CC)CC)C2)C1 ZINC000972407749 678696353 /nfs/dbraw/zinc/69/63/53/678696353.db2.gz GWAAVUMYMHOTGM-IBGZPJMESA-N 1 2 346.475 2.347 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnoc3-c3ccco3)C2)C1 ZINC000972435813 678738093 /nfs/dbraw/zinc/73/80/93/678738093.db2.gz RVARBJOPALVVEJ-GOSISDBHSA-N 1 2 343.383 2.038 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnoc3-c3ccco3)C2)C1 ZINC000972435813 678738096 /nfs/dbraw/zinc/73/80/96/678738096.db2.gz RVARBJOPALVVEJ-GOSISDBHSA-N 1 2 343.383 2.038 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CC[C@]3(C2)C[N@H+](CC=C)CCO3)cc1 ZINC000972437799 678741621 /nfs/dbraw/zinc/74/16/21/678741621.db2.gz KWHRWZKQHJYFLI-HXUWFJFHSA-N 1 2 342.439 2.354 20 30 EEEDLO C=CCOc1ccc(C(=O)N2CC[C@]3(C2)C[N@@H+](CC=C)CCO3)cc1 ZINC000972437799 678741623 /nfs/dbraw/zinc/74/16/23/678741623.db2.gz KWHRWZKQHJYFLI-HXUWFJFHSA-N 1 2 342.439 2.354 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)cc(C)nc3C)C2)C1 ZINC000972479903 678848540 /nfs/dbraw/zinc/84/85/40/678848540.db2.gz DRMCLAADMWDIMD-LJQANCHMSA-N 1 2 329.444 2.110 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)cc(C)nc3C)C2)C1 ZINC000972479903 678848544 /nfs/dbraw/zinc/84/85/44/678848544.db2.gz DRMCLAADMWDIMD-LJQANCHMSA-N 1 2 329.444 2.110 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+](Cc3cscn3)C2)c1 ZINC001023583965 679394434 /nfs/dbraw/zinc/39/44/34/679394434.db2.gz RMYYVUMWVNSETR-OAHLLOKOSA-N 1 2 340.452 2.161 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cscn3)C2)c1 ZINC001023583965 679394435 /nfs/dbraw/zinc/39/44/35/679394435.db2.gz RMYYVUMWVNSETR-OAHLLOKOSA-N 1 2 340.452 2.161 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)c3ccccc3F)C2)C1 ZINC000972597603 679395029 /nfs/dbraw/zinc/39/50/29/679395029.db2.gz VJJNYIZEDHJRJC-OXJNMPFZSA-N 1 2 344.430 2.256 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)c3ccccc3F)C2)C1 ZINC000972597603 679395030 /nfs/dbraw/zinc/39/50/30/679395030.db2.gz VJJNYIZEDHJRJC-OXJNMPFZSA-N 1 2 344.430 2.256 20 30 EEEDLO C[C@H]1C[C@@H](NC(=O)c2ncc[nH]2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947296652 679405867 /nfs/dbraw/zinc/40/58/67/679405867.db2.gz PFAIQRQRXBCFBA-LRDDRELGSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@H]1C[C@@H](NC(=O)c2ncc[nH]2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947296652 679405870 /nfs/dbraw/zinc/40/58/70/679405870.db2.gz PFAIQRQRXBCFBA-LRDDRELGSA-N 1 2 341.390 2.203 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccccc3F)C2)C1 ZINC000972601690 679408478 /nfs/dbraw/zinc/40/84/78/679408478.db2.gz JBJTUAVQPFPYMW-DNVCBOLYSA-N 1 2 332.419 2.419 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccccc3F)C2)C1 ZINC000972601690 679408479 /nfs/dbraw/zinc/40/84/79/679408479.db2.gz JBJTUAVQPFPYMW-DNVCBOLYSA-N 1 2 332.419 2.419 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@](C)(OC)c3ccccc3)C2)C1 ZINC000972640573 679480270 /nfs/dbraw/zinc/48/02/70/679480270.db2.gz KYTMYDOWUIMLSG-VQTJNVASSA-N 1 2 344.455 2.038 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@](C)(OC)c3ccccc3)C2)C1 ZINC000972640573 679480272 /nfs/dbraw/zinc/48/02/72/679480272.db2.gz KYTMYDOWUIMLSG-VQTJNVASSA-N 1 2 344.455 2.038 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cc(C)ccc3F)C2)C1 ZINC000972646440 679502110 /nfs/dbraw/zinc/50/21/10/679502110.db2.gz GGUZEGCNPFBWQC-HXUWFJFHSA-N 1 2 344.430 2.003 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cc(C)ccc3F)C2)C1 ZINC000972646440 679502112 /nfs/dbraw/zinc/50/21/12/679502112.db2.gz GGUZEGCNPFBWQC-HXUWFJFHSA-N 1 2 344.430 2.003 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)cc(C)c3)C2)C1 ZINC000972654790 679517764 /nfs/dbraw/zinc/51/77/64/679517764.db2.gz VVBFAHXRFVISNZ-HXUWFJFHSA-N 1 2 326.440 2.244 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)cc(C)c3)C2)C1 ZINC000972654790 679517766 /nfs/dbraw/zinc/51/77/66/679517766.db2.gz VVBFAHXRFVISNZ-HXUWFJFHSA-N 1 2 326.440 2.244 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C4CC4)cn3)C2)C1 ZINC000972661108 679528984 /nfs/dbraw/zinc/52/89/84/679528984.db2.gz XYHMLJQQCPKVKO-IBGZPJMESA-N 1 2 327.428 2.062 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C4CC4)cn3)C2)C1 ZINC000972661108 679528987 /nfs/dbraw/zinc/52/89/87/679528987.db2.gz XYHMLJQQCPKVKO-IBGZPJMESA-N 1 2 327.428 2.062 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H](C)c3ncc(C)o3)C2)nc1 ZINC000972754008 679747807 /nfs/dbraw/zinc/74/78/07/679747807.db2.gz WAYNHXRBTBDKTQ-GOEBONIOSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H](C)c3ncc(C)o3)C2)nc1 ZINC000972754008 679747809 /nfs/dbraw/zinc/74/78/09/679747809.db2.gz WAYNHXRBTBDKTQ-GOEBONIOSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3nc(C)oc3C)C2)cn1 ZINC000972755684 679749098 /nfs/dbraw/zinc/74/90/98/679749098.db2.gz GQWBYIBKBQXIRE-KRWDZBQOSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3nc(C)oc3C)C2)cn1 ZINC000972755684 679749099 /nfs/dbraw/zinc/74/90/99/679749099.db2.gz GQWBYIBKBQXIRE-KRWDZBQOSA-N 1 2 338.411 2.014 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1ccon1 ZINC000972827687 679807724 /nfs/dbraw/zinc/80/77/24/679807724.db2.gz SMUFTUVGFVJUPM-MRXNPFEDSA-N 1 2 342.374 2.326 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)c1ccon1 ZINC000972827687 679807725 /nfs/dbraw/zinc/80/77/25/679807725.db2.gz SMUFTUVGFVJUPM-MRXNPFEDSA-N 1 2 342.374 2.326 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2CNC(=O)c2cocn2)c1 ZINC001024362332 679879521 /nfs/dbraw/zinc/87/95/21/679879521.db2.gz JACNIRNAFDMGLY-HNNXBMFYSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2CNC(=O)c2cocn2)c1 ZINC001024362332 679879522 /nfs/dbraw/zinc/87/95/22/679879522.db2.gz JACNIRNAFDMGLY-HNNXBMFYSA-N 1 2 342.374 2.470 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cccc3[nH]c(=O)[nH]c32)C(C)(C)C1 ZINC000974700058 685280807 /nfs/dbraw/zinc/28/08/07/685280807.db2.gz OKJNSJWVFTYVSB-ZDUSSCGKSA-N 1 2 348.834 2.461 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cccc3[nH]c(=O)[nH]c32)C(C)(C)C1 ZINC000974700058 685280812 /nfs/dbraw/zinc/28/08/12/685280812.db2.gz OKJNSJWVFTYVSB-ZDUSSCGKSA-N 1 2 348.834 2.461 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)nc2)C(C)(C)C1 ZINC000974759608 685389664 /nfs/dbraw/zinc/38/96/64/685389664.db2.gz MVYOGVMYTGOCMO-CQSZACIVSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)nc2)C(C)(C)C1 ZINC000974759608 685389671 /nfs/dbraw/zinc/38/96/71/685389671.db2.gz MVYOGVMYTGOCMO-CQSZACIVSA-N 1 2 336.867 2.340 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc3c(c2)C[C@H](C)O3)n1 ZINC000894109581 681296834 /nfs/dbraw/zinc/29/68/34/681296834.db2.gz RRBYLZWSJRKNLF-INIZCTEOSA-N 1 2 339.439 2.488 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc3c(c2)C[C@H](C)O3)n1 ZINC000894109581 681296836 /nfs/dbraw/zinc/29/68/36/681296836.db2.gz RRBYLZWSJRKNLF-INIZCTEOSA-N 1 2 339.439 2.488 20 30 EEEDLO C[C@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000982824913 681335078 /nfs/dbraw/zinc/33/50/78/681335078.db2.gz KDOQMWINPDOCKT-PBHICJAKSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000982824913 681335081 /nfs/dbraw/zinc/33/50/81/681335081.db2.gz KDOQMWINPDOCKT-PBHICJAKSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@]1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3F)CC2)CCOC1 ZINC000982871916 681442814 /nfs/dbraw/zinc/44/28/14/681442814.db2.gz RUZJJJPGIZASRL-IBGZPJMESA-N 1 2 345.418 2.158 20 30 EEEDLO C[C@]1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3F)CC2)CCOC1 ZINC000982871916 681442820 /nfs/dbraw/zinc/44/28/20/681442820.db2.gz RUZJJJPGIZASRL-IBGZPJMESA-N 1 2 345.418 2.158 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001024810786 681463180 /nfs/dbraw/zinc/46/31/80/681463180.db2.gz JPVJNYFUTPAWKS-ZFWWWQNUSA-N 1 2 336.867 2.238 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001024810786 681463182 /nfs/dbraw/zinc/46/31/82/681463182.db2.gz JPVJNYFUTPAWKS-ZFWWWQNUSA-N 1 2 336.867 2.238 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)cc2)on1 ZINC001029209726 683542863 /nfs/dbraw/zinc/54/28/63/683542863.db2.gz GSAHLOUXOFHPLY-CALCHBBNSA-N 1 2 336.395 2.344 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)cc2)on1 ZINC001029209726 683542869 /nfs/dbraw/zinc/54/28/69/683542869.db2.gz GSAHLOUXOFHPLY-CALCHBBNSA-N 1 2 336.395 2.344 20 30 EEEDLO C=CCn1cc(C(=O)NC2C[NH+](Cc3ccccc3C(C)C)C2)nn1 ZINC001031071059 683663478 /nfs/dbraw/zinc/66/34/78/683663478.db2.gz FQVCHVFHVFTWCC-UHFFFAOYSA-N 1 2 339.443 2.202 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@]1(C)CC ZINC001026129953 683885335 /nfs/dbraw/zinc/88/53/35/683885335.db2.gz BBPZHYROSPVSCV-ARUSPNSKSA-N 1 2 327.266 2.378 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@]1(C)CC ZINC001026129953 683885341 /nfs/dbraw/zinc/88/53/41/683885341.db2.gz BBPZHYROSPVSCV-ARUSPNSKSA-N 1 2 327.266 2.378 20 30 EEEDLO C=CCCC(=O)N(C)Cc1ccccc1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001060516081 684012103 /nfs/dbraw/zinc/01/21/03/684012103.db2.gz MFZGJKAWPDUSFZ-UHFFFAOYSA-N 1 2 340.427 2.193 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@@H+]1Cc1ccns1 ZINC000993175599 684043715 /nfs/dbraw/zinc/04/37/15/684043715.db2.gz ZUNVOWGYZTXYLF-FZMZJTMJSA-N 1 2 329.429 2.126 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@H+]1Cc1ccns1 ZINC000993175599 684043720 /nfs/dbraw/zinc/04/37/20/684043720.db2.gz ZUNVOWGYZTXYLF-FZMZJTMJSA-N 1 2 329.429 2.126 20 30 EEEDLO C=CCCC(=O)N1CC[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001059317317 684129919 /nfs/dbraw/zinc/12/99/19/684129919.db2.gz GCIIYOPXHISYEP-CVEARBPZSA-N 1 2 332.448 2.155 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000984468877 684578589 /nfs/dbraw/zinc/57/85/89/684578589.db2.gz NNORWRBOSKLEIH-CQSZACIVSA-N 1 2 346.475 2.349 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000896304429 684932906 /nfs/dbraw/zinc/93/29/06/684932906.db2.gz NINHQXSINNMGSC-NRFANRHFSA-N 1 2 348.446 2.341 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3)C(C)(C)C1 ZINC000974618479 685119962 /nfs/dbraw/zinc/11/99/62/685119962.db2.gz CIFXADJRVYPFOH-HNNXBMFYSA-N 1 2 347.846 2.374 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3)C(C)(C)C1 ZINC000974618479 685119964 /nfs/dbraw/zinc/11/99/64/685119964.db2.gz CIFXADJRVYPFOH-HNNXBMFYSA-N 1 2 347.846 2.374 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2ncccc2OC)C(C)(C)C1 ZINC000974964082 685818761 /nfs/dbraw/zinc/81/87/61/685818761.db2.gz JWZBAELJCHBZJP-OAHLLOKOSA-N 1 2 337.851 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2ncccc2OC)C(C)(C)C1 ZINC000974964082 685818766 /nfs/dbraw/zinc/81/87/66/685818766.db2.gz JWZBAELJCHBZJP-OAHLLOKOSA-N 1 2 337.851 2.212 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H](C[N@@H+](C)Cc2nncs2)C1 ZINC001029756163 687021003 /nfs/dbraw/zinc/02/10/03/687021003.db2.gz YISLYEZLCADECA-CQSZACIVSA-N 1 2 345.472 2.120 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H](C[N@H+](C)Cc2nncs2)C1 ZINC001029756163 687021008 /nfs/dbraw/zinc/02/10/08/687021008.db2.gz YISLYEZLCADECA-CQSZACIVSA-N 1 2 345.472 2.120 20 30 EEEDLO Cc1nnsc1C(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001006697966 687301558 /nfs/dbraw/zinc/30/15/58/687301558.db2.gz JLUHUOZMBVLMLT-HNNXBMFYSA-N 1 2 341.440 2.113 20 30 EEEDLO Cc1nnsc1C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001006697966 687301561 /nfs/dbraw/zinc/30/15/61/687301561.db2.gz JLUHUOZMBVLMLT-HNNXBMFYSA-N 1 2 341.440 2.113 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2coc(C)n2)C1 ZINC001027378216 687800977 /nfs/dbraw/zinc/80/09/77/687800977.db2.gz AZTPOZQYJIVFBH-GFCCVEGCSA-N 1 2 342.237 2.428 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)c2coc(C)n2)C1 ZINC001027378216 687800982 /nfs/dbraw/zinc/80/09/82/687800982.db2.gz AZTPOZQYJIVFBH-GFCCVEGCSA-N 1 2 342.237 2.428 20 30 EEEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347481668 694372648 /nfs/dbraw/zinc/37/26/48/694372648.db2.gz JZGSHQYOFUMTDJ-GDBMZVCRSA-N 1 2 338.411 2.465 20 30 EEEDLO Cc1cc(NC/C=C\CNC(=O)CSCC#N)nc(C(C)C)[nH+]1 ZINC001107048863 1192998140 /nfs/dbraw/zinc/99/81/40/1192998140.db2.gz DFVFIUBQCGBQMW-PLNGDYQASA-N 1 2 333.461 2.250 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001032217667 1193188248 /nfs/dbraw/zinc/18/82/48/1193188248.db2.gz LUQWEMDGKICBIG-USHGBRTNSA-N 1 2 335.451 2.398 20 30 EEEDLO Cc1ccsc1C(=O)N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001270247430 1184958614 /nfs/dbraw/zinc/95/86/14/1184958614.db2.gz VGKUZRGAGKKRAS-UHFFFAOYSA-N 1 2 340.452 2.225 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2=COCCC2)[C@H]1C ZINC001088491067 1187034004 /nfs/dbraw/zinc/03/40/04/1187034004.db2.gz HCAWYRKLQHCVEE-YPMHNXCESA-N 1 2 329.238 2.168 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2=COCCC2)[C@H]1C ZINC001088491067 1187034008 /nfs/dbraw/zinc/03/40/08/1187034008.db2.gz HCAWYRKLQHCVEE-YPMHNXCESA-N 1 2 329.238 2.168 20 30 EEEDLO C=CCCC(=O)NCC[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001075883631 1187098677 /nfs/dbraw/zinc/09/86/77/1187098677.db2.gz MOPUKQFQUCPXBV-HNNXBMFYSA-N 1 2 340.427 2.463 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H](C)Nc2ncnc3c2C[N@H+](C)CC3)CC1 ZINC001098242037 1187402752 /nfs/dbraw/zinc/40/27/52/1187402752.db2.gz BWDSTYUKLLGWJH-AWEZNQCLSA-N 1 2 343.475 2.128 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H](C)Nc2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC001098242037 1187402755 /nfs/dbraw/zinc/40/27/55/1187402755.db2.gz BWDSTYUKLLGWJH-AWEZNQCLSA-N 1 2 343.475 2.128 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c3c(nn2C)CCCC3)[C@H]1C ZINC001088595570 1187570887 /nfs/dbraw/zinc/57/08/87/1187570887.db2.gz IRAUAXFCWXLXQO-OCCSQVGLSA-N 1 2 336.867 2.244 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c3c(nn2C)CCCC3)[C@H]1C ZINC001088595570 1187570890 /nfs/dbraw/zinc/57/08/90/1187570890.db2.gz IRAUAXFCWXLXQO-OCCSQVGLSA-N 1 2 336.867 2.244 20 30 EEEDLO C=C(C)CCC(=O)NCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001076797377 1189168195 /nfs/dbraw/zinc/16/81/95/1189168195.db2.gz GOZQJNVBVGBXIR-AWEZNQCLSA-N 1 2 328.416 2.315 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)Cc1c(C)nn(CC)c1C ZINC001409652497 1190152053 /nfs/dbraw/zinc/15/20/53/1190152053.db2.gz TUHBNRZRTJVXGD-GFCCVEGCSA-N 1 2 326.872 2.251 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)Cc1c(C)nn(CC)c1C ZINC001409652497 1190152055 /nfs/dbraw/zinc/15/20/55/1190152055.db2.gz TUHBNRZRTJVXGD-GFCCVEGCSA-N 1 2 326.872 2.251 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccn(CC)n3)C2)cc1 ZINC001033322472 1194415326 /nfs/dbraw/zinc/41/53/26/1194415326.db2.gz LDRRLJMBMYSSIV-IBGZPJMESA-N 1 2 336.439 2.231 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccn(CC)n3)C2)cc1 ZINC001033322472 1194415329 /nfs/dbraw/zinc/41/53/29/1194415329.db2.gz LDRRLJMBMYSSIV-IBGZPJMESA-N 1 2 336.439 2.231 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CC[N@@H+]([C@@H](C)c3ncc(C)o3)C2)c1 ZINC001033405212 1194548750 /nfs/dbraw/zinc/54/87/50/1194548750.db2.gz IOQXKSCTFJAJOK-YOEHRIQHSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CC[N@H+]([C@@H](C)c3ncc(C)o3)C2)c1 ZINC001033405212 1194548753 /nfs/dbraw/zinc/54/87/53/1194548753.db2.gz IOQXKSCTFJAJOK-YOEHRIQHSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001033620318 1194962715 /nfs/dbraw/zinc/96/27/15/1194962715.db2.gz PKSFLCAYWNBOEU-GOSISDBHSA-N 1 2 337.423 2.240 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001033620318 1194962717 /nfs/dbraw/zinc/96/27/17/1194962717.db2.gz PKSFLCAYWNBOEU-GOSISDBHSA-N 1 2 337.423 2.240 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001033690686 1195087678 /nfs/dbraw/zinc/08/76/78/1195087678.db2.gz GAIQWXSHQLJQCO-ZDUSSCGKSA-N 1 2 347.850 2.176 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001033690686 1195087682 /nfs/dbraw/zinc/08/76/82/1195087682.db2.gz GAIQWXSHQLJQCO-ZDUSSCGKSA-N 1 2 347.850 2.176 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1c1ccccc1 ZINC001018051493 1224261186 /nfs/dbraw/zinc/26/11/86/1224261186.db2.gz HGDSWIGWUKGVMG-WCIQWLHISA-N 1 2 338.451 2.463 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1c1ccccc1 ZINC001018051493 1224261202 /nfs/dbraw/zinc/26/12/02/1224261202.db2.gz HGDSWIGWUKGVMG-WCIQWLHISA-N 1 2 338.451 2.463 20 30 EEEDLO CCN(C(=O)c1ccn[nH]1)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033765630 1195230602 /nfs/dbraw/zinc/23/06/02/1195230602.db2.gz SHLQXGNHQBQLQH-HNNXBMFYSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1ccn[nH]1)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033765630 1195230606 /nfs/dbraw/zinc/23/06/06/1195230606.db2.gz SHLQXGNHQBQLQH-HNNXBMFYSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001033801560 1195302546 /nfs/dbraw/zinc/30/25/46/1195302546.db2.gz UMZUQOZBARDPIL-HNNXBMFYSA-N 1 2 341.415 2.228 20 30 EEEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001033801560 1195302550 /nfs/dbraw/zinc/30/25/50/1195302550.db2.gz UMZUQOZBARDPIL-HNNXBMFYSA-N 1 2 341.415 2.228 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001033854199 1195367464 /nfs/dbraw/zinc/36/74/64/1195367464.db2.gz PCXAYNSPUPFECR-GDBMZVCRSA-N 1 2 348.878 2.257 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001033854199 1195367468 /nfs/dbraw/zinc/36/74/68/1195367468.db2.gz PCXAYNSPUPFECR-GDBMZVCRSA-N 1 2 348.878 2.257 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn(CC(F)F)n2)C1 ZINC001033869719 1195422864 /nfs/dbraw/zinc/42/28/64/1195422864.db2.gz OBGYUSSTNKEWJA-GFCCVEGCSA-N 1 2 346.809 2.437 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn(CC(F)F)n2)C1 ZINC001033869719 1195422867 /nfs/dbraw/zinc/42/28/67/1195422867.db2.gz OBGYUSSTNKEWJA-GFCCVEGCSA-N 1 2 346.809 2.437 20 30 EEEDLO CCN(C(=O)c1ccnc(C)n1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001034046114 1195698224 /nfs/dbraw/zinc/69/82/24/1195698224.db2.gz XIGBQMTYRIGXJG-SFHVURJKSA-N 1 2 349.438 2.393 20 30 EEEDLO CCN(C(=O)c1ccnc(C)n1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001034046114 1195698227 /nfs/dbraw/zinc/69/82/27/1195698227.db2.gz XIGBQMTYRIGXJG-SFHVURJKSA-N 1 2 349.438 2.393 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc3ncccc3s2)C1 ZINC001108115182 1195756278 /nfs/dbraw/zinc/75/62/78/1195756278.db2.gz MNFYSXODAVALCG-KRWDZBQOSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc3ncccc3s2)C1 ZINC001108115182 1195756281 /nfs/dbraw/zinc/75/62/81/1195756281.db2.gz MNFYSXODAVALCG-KRWDZBQOSA-N 1 2 331.441 2.303 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CCCC[N@H+](Cc3cscn3)C2)c[nH]1 ZINC001034165089 1195882801 /nfs/dbraw/zinc/88/28/01/1195882801.db2.gz JYGGCWCZTNREGN-CYBMUJFWSA-N 1 2 329.429 2.127 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3cscn3)C2)c[nH]1 ZINC001034165089 1195882806 /nfs/dbraw/zinc/88/28/06/1195882806.db2.gz JYGGCWCZTNREGN-CYBMUJFWSA-N 1 2 329.429 2.127 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2coc(C)n2)C1 ZINC001034211890 1195950648 /nfs/dbraw/zinc/95/06/48/1195950648.db2.gz DCYIJVMDTCUPHN-NXHRZFHOSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2coc(C)n2)C1 ZINC001034211890 1195950653 /nfs/dbraw/zinc/95/06/53/1195950653.db2.gz DCYIJVMDTCUPHN-NXHRZFHOSA-N 1 2 347.459 2.435 20 30 EEEDLO CC(C)[C@@H](F)C(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108139745 1196520829 /nfs/dbraw/zinc/52/08/29/1196520829.db2.gz FDKFHFAMZHKTFH-MJGOQNOKSA-N 1 2 347.434 2.259 20 30 EEEDLO CC(C)[C@@H](F)C(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108139745 1196520832 /nfs/dbraw/zinc/52/08/32/1196520832.db2.gz FDKFHFAMZHKTFH-MJGOQNOKSA-N 1 2 347.434 2.259 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3ccncc3Cl)C2)OCC1=O ZINC001273231675 1197618413 /nfs/dbraw/zinc/61/84/13/1197618413.db2.gz SOGLKOORNLSNIK-QGZVFWFLSA-N 1 2 335.835 2.114 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3ccncc3Cl)C2)OCC1=O ZINC001273231675 1197618414 /nfs/dbraw/zinc/61/84/14/1197618414.db2.gz SOGLKOORNLSNIK-QGZVFWFLSA-N 1 2 335.835 2.114 20 30 EEEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)s1 ZINC000794697619 1197832093 /nfs/dbraw/zinc/83/20/93/1197832093.db2.gz LOZHHGFHZMVHIQ-GQCTYLIASA-N 1 2 343.408 2.432 20 30 EEEDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)nn1 ZINC001132033259 1199216984 /nfs/dbraw/zinc/21/69/84/1199216984.db2.gz CPBOTCXIUHBAKO-GJZGRUSLSA-N 1 2 344.459 2.004 20 30 EEEDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]2C)nn1 ZINC001132033259 1199216990 /nfs/dbraw/zinc/21/69/90/1199216990.db2.gz CPBOTCXIUHBAKO-GJZGRUSLSA-N 1 2 344.459 2.004 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@@H+]1Cc1cc(C2CC2)no1 ZINC001132033775 1199217975 /nfs/dbraw/zinc/21/79/75/1199217975.db2.gz KXKRJBCTSKLURN-CJNGLKHVSA-N 1 2 327.428 2.435 20 30 EEEDLO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[N@H+]1Cc1cc(C2CC2)no1 ZINC001132033775 1199217981 /nfs/dbraw/zinc/21/79/81/1199217981.db2.gz KXKRJBCTSKLURN-CJNGLKHVSA-N 1 2 327.428 2.435 20 30 EEEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000875409463 1199240392 /nfs/dbraw/zinc/24/03/92/1199240392.db2.gz ZRXYSXYMFGGNDB-QZTJIDSGSA-N 1 2 344.459 2.441 20 30 EEEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000875409463 1199240397 /nfs/dbraw/zinc/24/03/97/1199240397.db2.gz ZRXYSXYMFGGNDB-QZTJIDSGSA-N 1 2 344.459 2.441 20 30 EEEDLO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)C2(C)CCCCCC2)CC[C@H]1C ZINC001132105192 1199311814 /nfs/dbraw/zinc/31/18/14/1199311814.db2.gz CFYXJMSPODGPSX-IAGOWNOFSA-N 1 2 347.503 2.065 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C2(C)CCCCCC2)CC[C@H]1C ZINC001132105192 1199311819 /nfs/dbraw/zinc/31/18/19/1199311819.db2.gz CFYXJMSPODGPSX-IAGOWNOFSA-N 1 2 347.503 2.065 20 30 EEEDLO COc1cccc([C@@H]2CN(C(=O)c3cc(C#N)cs3)CC[NH2+]2)c1 ZINC000870150803 1200513930 /nfs/dbraw/zinc/51/39/30/1200513930.db2.gz PLDLRQZAPFBTGN-HNNXBMFYSA-N 1 2 327.409 2.415 20 30 EEEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc(-c2cccc(OC)c2)no1 ZINC001133144751 1200516420 /nfs/dbraw/zinc/51/64/20/1200516420.db2.gz AKWLRMFUQKXWBK-UHFFFAOYSA-N 1 2 344.415 2.307 20 30 EEEDLO COCC[C@H]1COCC[N@@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878638135 1200590483 /nfs/dbraw/zinc/59/04/83/1200590483.db2.gz YRPRURASOBXODN-RBUKOAKNSA-N 1 2 330.428 2.164 20 30 EEEDLO COCC[C@H]1COCC[N@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878638135 1200590489 /nfs/dbraw/zinc/59/04/89/1200590489.db2.gz YRPRURASOBXODN-RBUKOAKNSA-N 1 2 330.428 2.164 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001018386561 1224662455 /nfs/dbraw/zinc/66/24/55/1224662455.db2.gz KAOAFXXHASHAJY-GDBMZVCRSA-N 1 2 344.459 2.194 20 30 EEEDLO CN(C)c1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cn1 ZINC001015050504 1224686588 /nfs/dbraw/zinc/68/65/88/1224686588.db2.gz SIXQVFQHGZVJSC-SFHVURJKSA-N 1 2 349.438 2.024 20 30 EEEDLO CN(C)c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cn1 ZINC001015050504 1224686592 /nfs/dbraw/zinc/68/65/92/1224686592.db2.gz SIXQVFQHGZVJSC-SFHVURJKSA-N 1 2 349.438 2.024 20 30 EEEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)c2ccccc2C(F)(F)F)nn1 ZINC000881410657 1201695342 /nfs/dbraw/zinc/69/53/42/1201695342.db2.gz OEOMMZLOGCXOBR-OAHLLOKOSA-N 1 2 338.333 2.143 20 30 EEEDLO N#Cc1ccncc1N1CC[NH+](C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000795041877 1201889870 /nfs/dbraw/zinc/88/98/70/1201889870.db2.gz LNSSVAGNTMTVQT-SFHVURJKSA-N 1 2 344.365 2.087 20 30 EEEDLO Cc1nnc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCCC#N)C3)s1 ZINC001274523514 1205067553 /nfs/dbraw/zinc/06/75/53/1205067553.db2.gz IBPZAXRDHRNBJZ-INIZCTEOSA-N 1 2 333.461 2.107 20 30 EEEDLO Cc1nnc(C[N@H+]2CCCC[C@@]23CC(=O)N(CCCC#N)C3)s1 ZINC001274523514 1205067556 /nfs/dbraw/zinc/06/75/56/1205067556.db2.gz IBPZAXRDHRNBJZ-INIZCTEOSA-N 1 2 333.461 2.107 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3cc(F)ccc3C#N)C2)OCC1=O ZINC001274778128 1205158438 /nfs/dbraw/zinc/15/84/38/1205158438.db2.gz QZQFDYQBLAOPSB-IBGZPJMESA-N 1 2 343.402 2.077 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3cc(F)ccc3C#N)C2)OCC1=O ZINC001274778128 1205158440 /nfs/dbraw/zinc/15/84/40/1205158440.db2.gz QZQFDYQBLAOPSB-IBGZPJMESA-N 1 2 343.402 2.077 20 30 EEEDLO N#Cc1cncc(C(=O)N2CC3(CC[N@H+]3CCCC(F)(F)F)C2)c1 ZINC001274778202 1205162824 /nfs/dbraw/zinc/16/28/24/1205162824.db2.gz RVSBHYICZDRSHB-UHFFFAOYSA-N 1 2 338.333 2.196 20 30 EEEDLO N#Cc1cncc(C(=O)N2CC3(CC[N@@H+]3CCCC(F)(F)F)C2)c1 ZINC001274778202 1205162826 /nfs/dbraw/zinc/16/28/26/1205162826.db2.gz RVSBHYICZDRSHB-UHFFFAOYSA-N 1 2 338.333 2.196 20 30 EEEDLO Cc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(Cc2ccc(C#N)s2)C3)n(C)n1 ZINC001275588382 1205432525 /nfs/dbraw/zinc/43/25/25/1205432525.db2.gz BVHGNOPEHNSKBP-ZBFHGGJFSA-N 1 2 341.484 2.368 20 30 EEEDLO Cc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(Cc2ccc(C#N)s2)C3)n(C)n1 ZINC001275588382 1205432527 /nfs/dbraw/zinc/43/25/27/1205432527.db2.gz BVHGNOPEHNSKBP-ZBFHGGJFSA-N 1 2 341.484 2.368 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3n[nH]cc31)C2 ZINC001095416174 1205715194 /nfs/dbraw/zinc/71/51/94/1205715194.db2.gz OYYNSDCUCXJGTG-KNPMLCFXSA-N 1 2 334.851 2.304 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3n[nH]cc31)C2 ZINC001095416174 1205715196 /nfs/dbraw/zinc/71/51/96/1205715196.db2.gz OYYNSDCUCXJGTG-KNPMLCFXSA-N 1 2 334.851 2.304 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C3CC3)nn1C)C2 ZINC001095485618 1205810248 /nfs/dbraw/zinc/81/02/48/1205810248.db2.gz GDQFGPYJQUESQH-SNPRPXQTSA-N 1 2 334.851 2.385 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C3CC3)nn1C)C2 ZINC001095485618 1205810250 /nfs/dbraw/zinc/81/02/50/1205810250.db2.gz GDQFGPYJQUESQH-SNPRPXQTSA-N 1 2 334.851 2.385 20 30 EEEDLO CN(CCCNC(=O)CCCn1cc[nH+]c1)c1cccc(F)c1C#N ZINC001095578511 1205880135 /nfs/dbraw/zinc/88/01/35/1205880135.db2.gz LRPPZZYVFUFLJD-UHFFFAOYSA-N 1 2 343.406 2.317 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCC1 ZINC001110936338 1206316674 /nfs/dbraw/zinc/31/66/74/1206316674.db2.gz ILELTEIHZINDDM-HPBDAGMYSA-N 1 2 347.503 2.369 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCC1 ZINC001110936338 1206316676 /nfs/dbraw/zinc/31/66/76/1206316676.db2.gz ILELTEIHZINDDM-HPBDAGMYSA-N 1 2 347.503 2.369 20 30 EEEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncc(C)cn1)C2 ZINC001111729402 1206501368 /nfs/dbraw/zinc/50/13/68/1206501368.db2.gz MZGVMIKDJCVTOA-LPHOPBHVSA-N 1 2 326.444 2.059 20 30 EEEDLO C#CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncc(C)cn1)C2 ZINC001111729402 1206501370 /nfs/dbraw/zinc/50/13/70/1206501370.db2.gz MZGVMIKDJCVTOA-LPHOPBHVSA-N 1 2 326.444 2.059 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCC ZINC001110989847 1206553717 /nfs/dbraw/zinc/55/37/17/1206553717.db2.gz YBTRBIPORLDVRB-JEWRLFTDSA-N 1 2 335.492 2.227 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCC ZINC001110989847 1206553718 /nfs/dbraw/zinc/55/37/18/1206553718.db2.gz YBTRBIPORLDVRB-JEWRLFTDSA-N 1 2 335.492 2.227 20 30 EEEDLO CCn1c[nH+]c2c1CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000933264200 1207749628 /nfs/dbraw/zinc/74/96/28/1207749628.db2.gz YJAOLRAULDEVIH-UHFFFAOYSA-N 1 2 343.818 2.425 20 30 EEEDLO C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3nc[nH]c31)C2 ZINC001111174889 1208317710 /nfs/dbraw/zinc/31/77/10/1208317710.db2.gz DCCUKJFZGKFKKY-XYPHTWIQSA-N 1 2 340.427 2.101 20 30 EEEDLO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3nc[nH]c31)C2 ZINC001111174889 1208317713 /nfs/dbraw/zinc/31/77/13/1208317713.db2.gz DCCUKJFZGKFKKY-XYPHTWIQSA-N 1 2 340.427 2.101 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C\c3nccs3)CC2)cc1 ZINC000047609358 1208418661 /nfs/dbraw/zinc/41/86/61/1208418661.db2.gz RMFRCGQQKRHREY-WAYWQWQTSA-N 1 2 338.436 2.372 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)[C@H](C)C2)CC1 ZINC000947689883 1208674519 /nfs/dbraw/zinc/67/45/19/1208674519.db2.gz MZLPDBNEOIPIFG-ZBFHGGJFSA-N 1 2 331.464 2.031 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)[C@H](C)C2)CC1 ZINC000947689883 1208674520 /nfs/dbraw/zinc/67/45/20/1208674520.db2.gz MZLPDBNEOIPIFG-ZBFHGGJFSA-N 1 2 331.464 2.031 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cn(C)nn3)[C@@H](C)C2)CC1 ZINC000947689881 1208674773 /nfs/dbraw/zinc/67/47/73/1208674773.db2.gz MZLPDBNEOIPIFG-GOEBONIOSA-N 1 2 331.464 2.031 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(C)nn3)[C@@H](C)C2)CC1 ZINC000947689881 1208674776 /nfs/dbraw/zinc/67/47/76/1208674776.db2.gz MZLPDBNEOIPIFG-GOEBONIOSA-N 1 2 331.464 2.031 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](CC)C2)C1 ZINC000948539002 1209204643 /nfs/dbraw/zinc/20/46/43/1209204643.db2.gz QDLWEDSDIZGLTA-ZBFHGGJFSA-N 1 2 344.459 2.052 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cncnc1C ZINC000948890547 1209439698 /nfs/dbraw/zinc/43/96/98/1209439698.db2.gz RVTLJXZKXNFABO-LJQANCHMSA-N 1 2 334.423 2.138 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cncnc1C ZINC000948890547 1209439700 /nfs/dbraw/zinc/43/97/00/1209439700.db2.gz RVTLJXZKXNFABO-LJQANCHMSA-N 1 2 334.423 2.138 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(COC)o1 ZINC000948933048 1209460590 /nfs/dbraw/zinc/46/05/90/1209460590.db2.gz SVOWTQRZCYLERO-SFHVURJKSA-N 1 2 338.407 2.388 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(COC)o1 ZINC000948933048 1209460593 /nfs/dbraw/zinc/46/05/93/1209460593.db2.gz SVOWTQRZCYLERO-SFHVURJKSA-N 1 2 338.407 2.388 20 30 EEEDLO CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cccnc1OC ZINC000948952949 1209471493 /nfs/dbraw/zinc/47/14/93/1209471493.db2.gz AOKOQWSGXJAAOI-LJQANCHMSA-N 1 2 349.434 2.443 20 30 EEEDLO CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cccnc1OC ZINC000948952949 1209471495 /nfs/dbraw/zinc/47/14/95/1209471495.db2.gz AOKOQWSGXJAAOI-LJQANCHMSA-N 1 2 349.434 2.443 20 30 EEEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)CCc3cccnc3)CC2)c1 ZINC000949137173 1209549935 /nfs/dbraw/zinc/54/99/35/1209549935.db2.gz HGZJQTLGDPMUAB-UHFFFAOYSA-N 1 2 334.423 2.230 20 30 EEEDLO C=C1CCC(C(=O)N2CC[NH+](CCCc3nc(C)no3)CC2)CC1 ZINC000950023038 1209985645 /nfs/dbraw/zinc/98/56/45/1209985645.db2.gz KKUQGUOEGUDIQJ-UHFFFAOYSA-N 1 2 332.448 2.201 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccnc2C(F)(F)F)C1 ZINC000952361717 1211383957 /nfs/dbraw/zinc/38/39/57/1211383957.db2.gz ZHYDKKPJYHRZBG-UHFFFAOYSA-N 1 2 325.334 2.270 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cc(C)n(C)n2)cc1 ZINC001095854206 1211517097 /nfs/dbraw/zinc/51/70/97/1211517097.db2.gz QRYINJCCVJAJBJ-AABGKKOBSA-N 1 2 348.450 2.245 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cc(C)n(C)n2)cc1 ZINC001095854206 1211517099 /nfs/dbraw/zinc/51/70/99/1211517099.db2.gz QRYINJCCVJAJBJ-AABGKKOBSA-N 1 2 348.450 2.245 20 30 EEEDLO C#CCCCCC(=O)N1CCC[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001111402133 1211603752 /nfs/dbraw/zinc/60/37/52/1211603752.db2.gz HEPSKJGONVWRAL-DLBZAZTESA-N 1 2 326.444 2.406 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2coc(=O)c3ccccc23)C1 ZINC001015489875 1225324764 /nfs/dbraw/zinc/32/47/64/1225324764.db2.gz WMTOPQQJGHZFEH-LBPRGKRZSA-N 1 2 332.787 2.350 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2coc(=O)c3ccccc23)C1 ZINC001015489875 1225324767 /nfs/dbraw/zinc/32/47/67/1225324767.db2.gz WMTOPQQJGHZFEH-LBPRGKRZSA-N 1 2 332.787 2.350 20 30 EEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCCC2(C1)OCCO2 ZINC000090561724 1212856279 /nfs/dbraw/zinc/85/62/79/1212856279.db2.gz BEYJTVRNTPTYSM-PQUAAJSLSA-N 1 2 349.475 2.145 20 30 EEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCCC2(C1)OCCO2 ZINC000090561724 1212856283 /nfs/dbraw/zinc/85/62/83/1212856283.db2.gz BEYJTVRNTPTYSM-PQUAAJSLSA-N 1 2 349.475 2.145 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(C)c(C)o3)C[C@H]21 ZINC001114626640 1213698680 /nfs/dbraw/zinc/69/86/80/1213698680.db2.gz JFDBUCBXTGORMI-WXSAJPJJSA-N 1 2 347.459 2.067 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(C)c(C)o3)C[C@H]21 ZINC001114626640 1213698681 /nfs/dbraw/zinc/69/86/81/1213698681.db2.gz JFDBUCBXTGORMI-WXSAJPJJSA-N 1 2 347.459 2.067 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001015625491 1225479748 /nfs/dbraw/zinc/47/97/48/1225479748.db2.gz AKRGPNDLQJBGDN-SFHVURJKSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001015625491 1225479751 /nfs/dbraw/zinc/47/97/51/1225479751.db2.gz AKRGPNDLQJBGDN-SFHVURJKSA-N 1 2 345.406 2.439 20 30 EEEDLO 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ZINC000960536199 1216665678 /nfs/dbraw/zinc/66/56/78/1216665678.db2.gz BSYKEKJZTVLGOA-OAHLLOKOSA-N 1 2 343.456 2.388 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cn(CC)nn1 ZINC000960788122 1216897501 /nfs/dbraw/zinc/89/75/01/1216897501.db2.gz QCTZJDQILNYFBE-MRXNPFEDSA-N 1 2 333.480 2.323 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cn(CC)nn1 ZINC000960788122 1216897502 /nfs/dbraw/zinc/89/75/02/1216897502.db2.gz QCTZJDQILNYFBE-MRXNPFEDSA-N 1 2 333.480 2.323 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2coc(C)n2)c1 ZINC000960856764 1216945885 /nfs/dbraw/zinc/94/58/85/1216945885.db2.gz JAXXGFWWJXVWOL-GOSISDBHSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2coc(C)n2)c1 ZINC000960856764 1216945888 /nfs/dbraw/zinc/94/58/88/1216945888.db2.gz JAXXGFWWJXVWOL-GOSISDBHSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2cc(C)on2)nc1 ZINC000960974362 1216995487 /nfs/dbraw/zinc/99/54/87/1216995487.db2.gz 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1231988266 /nfs/dbraw/zinc/98/82/66/1231988266.db2.gz LCBROJFKJRCPFP-WFASDCNBSA-N 1 2 339.823 2.110 20 30 EEEDLO CC1CC(C(=O)N(C)C2C[NH+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC001042595512 1232115838 /nfs/dbraw/zinc/11/58/38/1232115838.db2.gz SKBQEHQWZFUMMR-UHFFFAOYSA-N 1 2 327.428 2.278 20 30 EEEDLO C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1c1cccc(F)c1C#N ZINC001067550951 1249211113 /nfs/dbraw/zinc/21/11/13/1249211113.db2.gz ZUOXEVGEIZTDAQ-CHWSQXEVSA-N 1 2 341.390 2.137 20 30 EEEDLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1c1cccc(F)c1C#N ZINC001067577230 1249260992 /nfs/dbraw/zinc/26/09/92/1249260992.db2.gz HNUTWXPPBCGUPS-CHWSQXEVSA-N 1 2 341.390 2.137 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[NH2+][C@H](C)c1nc(COC)no1 ZINC001045151260 1233539412 /nfs/dbraw/zinc/53/94/12/1233539412.db2.gz HFIZWWUDWNKAHC-OLZOCXBDSA-N 1 2 336.436 2.070 20 30 EEEDLO C=CCn1cccc1C(=O)NC1(C)CC[NH+](Cc2nccn2C)CC1 ZINC001045461687 1233758251 /nfs/dbraw/zinc/75/82/51/1233758251.db2.gz KLIANTVNQNKSPW-UHFFFAOYSA-N 1 2 341.459 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ZINC001046379928 1234731644 /nfs/dbraw/zinc/73/16/44/1234731644.db2.gz LDYYMNNHQRYIMT-INIZCTEOSA-N 1 2 334.807 2.215 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc3[nH]c(=O)[nH]c32)C1 ZINC001046379928 1234731649 /nfs/dbraw/zinc/73/16/49/1234731649.db2.gz LDYYMNNHQRYIMT-INIZCTEOSA-N 1 2 334.807 2.215 20 30 EEEDLO C[C@@]1(NC(=O)c2[nH]nc3c2CCC3)CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001046440985 1234807693 /nfs/dbraw/zinc/80/76/93/1234807693.db2.gz ZEDCBHHEGAPQNK-HXUWFJFHSA-N 1 2 349.438 2.164 20 30 EEEDLO C[C@@]1(NC(=O)c2[nH]nc3c2CCC3)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046440985 1234807695 /nfs/dbraw/zinc/80/76/95/1234807695.db2.gz ZEDCBHHEGAPQNK-HXUWFJFHSA-N 1 2 349.438 2.164 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001046629577 1235013085 /nfs/dbraw/zinc/01/30/85/1235013085.db2.gz DYRZIIINUPPXTG-GJYPPUQNSA-N 1 2 345.443 2.224 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC001046629577 1235013089 /nfs/dbraw/zinc/01/30/89/1235013089.db2.gz DYRZIIINUPPXTG-GJYPPUQNSA-N 1 2 345.443 2.224 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)c3ncc(C)o3)C2)cn1 ZINC001046782233 1235180160 /nfs/dbraw/zinc/18/01/60/1235180160.db2.gz WKVQSWGGQOYWIJ-KUHUBIRLSA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@H](C)c3ncc(C)o3)C2)cn1 ZINC001046782233 1235180162 /nfs/dbraw/zinc/18/01/62/1235180162.db2.gz WKVQSWGGQOYWIJ-KUHUBIRLSA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)c3ncc(C)o3)C2)nc1 ZINC001046781906 1235180470 /nfs/dbraw/zinc/18/04/70/1235180470.db2.gz SKAXKDNNRIUPNM-KUHUBIRLSA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@H](C)c3ncc(C)o3)C2)nc1 ZINC001046781906 1235180472 /nfs/dbraw/zinc/18/04/72/1235180472.db2.gz SKAXKDNNRIUPNM-KUHUBIRLSA-N 1 2 338.411 2.315 20 30 EEEDLO CN(C(=O)C1CCCCC1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047286337 1235811754 /nfs/dbraw/zinc/81/17/54/1235811754.db2.gz NFVIOJBQLJVSER-PMACEKPBSA-N 1 2 340.467 2.122 20 30 EEEDLO CN(C(=O)C1CCCCC1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047286337 1235811756 /nfs/dbraw/zinc/81/17/56/1235811756.db2.gz NFVIOJBQLJVSER-PMACEKPBSA-N 1 2 340.467 2.122 20 30 EEEDLO Cc1cc(N(C)C[C@@H]2CCCN2C(=O)[C@H](C)C#N)nc(C2CC2)[nH+]1 ZINC001067743172 1249486796 /nfs/dbraw/zinc/48/67/96/1249486796.db2.gz WRBUBDNZQXEKSX-DOMZBBRYSA-N 1 2 327.432 2.249 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001054970736 1249493602 /nfs/dbraw/zinc/49/36/02/1249493602.db2.gz HRFFLVHJNSAECX-OCCSQVGLSA-N 1 2 332.448 2.486 20 30 EEEDLO Cc1nc(N(C)C[C@H]2CCCN2C(=O)C#CC2CC2)c(C)c(C)[nH+]1 ZINC001067760637 1249532178 /nfs/dbraw/zinc/53/21/78/1249532178.db2.gz OLLZJGVABKFXER-QGZVFWFLSA-N 1 2 326.444 2.242 20 30 EEEDLO CCCC(C)(C)C(=O)NCC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC001096304170 1237252848 /nfs/dbraw/zinc/25/28/48/1237252848.db2.gz GVRSZZDHHSMNIP-UHFFFAOYSA-N 1 2 343.475 2.018 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001096338761 1237441991 /nfs/dbraw/zinc/44/19/91/1237441991.db2.gz MSQWNGVCOJTEHQ-HOCLYGCPSA-N 1 2 332.448 2.078 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1c1cccc(F)c1C#N ZINC001048731998 1238461904 /nfs/dbraw/zinc/46/19/04/1238461904.db2.gz SDKHYRBHYFGXIT-JKSUJKDBSA-N 1 2 341.390 2.068 20 30 EEEDLO CCS(=O)(=O)NC1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000903008088 1239323575 /nfs/dbraw/zinc/32/35/75/1239323575.db2.gz DQAPFMVBPPVGEG-UHFFFAOYSA-N 1 2 340.876 2.095 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001056447108 1239385406 /nfs/dbraw/zinc/38/54/06/1239385406.db2.gz XWCYLBWFWIKYQU-SJORKVTESA-N 1 2 344.459 2.291 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001056447108 1239385407 /nfs/dbraw/zinc/38/54/07/1239385407.db2.gz XWCYLBWFWIKYQU-SJORKVTESA-N 1 2 344.459 2.291 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001056479723 1239401851 /nfs/dbraw/zinc/40/18/51/1239401851.db2.gz URISMUKMAPITMG-GJZGRUSLSA-N 1 2 344.459 2.245 20 30 EEEDLO CCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)n1 ZINC001097973562 1249764427 /nfs/dbraw/zinc/76/44/27/1249764427.db2.gz VWTOEJMPEMJZSR-RLLQIKCJSA-N 1 2 348.450 2.290 20 30 EEEDLO CCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)n1 ZINC001097973562 1249764446 /nfs/dbraw/zinc/76/44/46/1249764446.db2.gz VWTOEJMPEMJZSR-RLLQIKCJSA-N 1 2 348.450 2.290 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([NH2+]Cc3nnc(C4CC4)o3)C2)C1 ZINC001000128339 1239974518 /nfs/dbraw/zinc/97/45/18/1239974518.db2.gz KYINYXPJLXRIMZ-AWEZNQCLSA-N 1 2 330.432 2.384 20 30 EEEDLO Cc1nc(N[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)ccc1C#N ZINC001056815680 1240225923 /nfs/dbraw/zinc/22/59/23/1240225923.db2.gz WRWXVKDEYGDZDQ-OAHLLOKOSA-N 1 2 346.394 2.465 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+]2CC=C(CNC(=O)c3ccc(C#N)[nH]3)CC2)o1 ZINC001000594404 1240564334 /nfs/dbraw/zinc/56/43/34/1240564334.db2.gz OUHMFGXRWJAQOF-CYBMUJFWSA-N 1 2 339.399 2.306 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+]2CC=C(CNC(=O)c3ccc(C#N)[nH]3)CC2)o1 ZINC001000594404 1240564341 /nfs/dbraw/zinc/56/43/41/1240564341.db2.gz OUHMFGXRWJAQOF-CYBMUJFWSA-N 1 2 339.399 2.306 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cccc3n[nH]nc32)CC1 ZINC001000720328 1240791852 /nfs/dbraw/zinc/79/18/52/1240791852.db2.gz KIZZUSSVYHUVNP-UHFFFAOYSA-N 1 2 331.807 2.072 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cccc3n[nH]nc32)CC1 ZINC001000720328 1240791858 /nfs/dbraw/zinc/79/18/58/1240791858.db2.gz KIZZUSSVYHUVNP-UHFFFAOYSA-N 1 2 331.807 2.072 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccnc1N(C)C)C2 ZINC001096537566 1240960312 /nfs/dbraw/zinc/96/03/12/1240960312.db2.gz RXTUYUQKXMDFTQ-SNPRPXQTSA-N 1 2 334.851 2.235 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccnc1N(C)C)C2 ZINC001096537566 1240960318 /nfs/dbraw/zinc/96/03/18/1240960318.db2.gz RXTUYUQKXMDFTQ-SNPRPXQTSA-N 1 2 334.851 2.235 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000803667576 1241224890 /nfs/dbraw/zinc/22/48/90/1241224890.db2.gz UDCIKSKTOBVAJZ-CYBMUJFWSA-N 1 2 333.432 2.184 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC001001164815 1241753467 /nfs/dbraw/zinc/75/34/67/1241753467.db2.gz ZFWHIULVHRKHPE-SJORKVTESA-N 1 2 345.443 2.131 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC001001164815 1241753477 /nfs/dbraw/zinc/75/34/77/1241753477.db2.gz ZFWHIULVHRKHPE-SJORKVTESA-N 1 2 345.443 2.131 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001001255229 1241920583 /nfs/dbraw/zinc/92/05/83/1241920583.db2.gz VIEXYCBHGGAPFU-RDJZCZTQSA-N 1 2 347.484 2.373 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001001255229 1241920595 /nfs/dbraw/zinc/92/05/95/1241920595.db2.gz VIEXYCBHGGAPFU-RDJZCZTQSA-N 1 2 347.484 2.373 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC001001303522 1242017131 /nfs/dbraw/zinc/01/71/31/1242017131.db2.gz GQFRWAKPIARKII-GXTWGEPZSA-N 1 2 343.265 2.068 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC001001303522 1242017144 /nfs/dbraw/zinc/01/71/44/1242017144.db2.gz GQFRWAKPIARKII-GXTWGEPZSA-N 1 2 343.265 2.068 20 30 EEEDLO C[N@@H+](Cc1cscn1)C[C@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001073984402 1242864634 /nfs/dbraw/zinc/86/46/34/1242864634.db2.gz KNNVUYBONFQUDZ-OAHLLOKOSA-N 1 2 343.456 2.470 20 30 EEEDLO C[N@H+](Cc1cscn1)C[C@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001073984402 1242864647 /nfs/dbraw/zinc/86/46/47/1242864647.db2.gz KNNVUYBONFQUDZ-OAHLLOKOSA-N 1 2 343.456 2.470 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001073995757 1242889921 /nfs/dbraw/zinc/88/99/21/1242889921.db2.gz BVAHBEBPQRVMDN-HUUCEWRRSA-N 1 2 332.448 2.052 20 30 EEEDLO N#Cc1ccc(N[C@H]2CCCCCN(C(=O)Cc3c[nH+]c[nH]3)C2)nc1 ZINC001049973191 1242936874 /nfs/dbraw/zinc/93/68/74/1242936874.db2.gz YWNZJKHYLWQGDE-HNNXBMFYSA-N 1 2 338.415 2.102 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)CCCCC)C2 ZINC001111436802 1243200732 /nfs/dbraw/zinc/20/07/32/1243200732.db2.gz YKJMBFLLJBYRQG-ZACQAIPSSA-N 1 2 347.503 2.064 20 30 EEEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)CCCCC)C2 ZINC001111436802 1243200744 /nfs/dbraw/zinc/20/07/44/1243200744.db2.gz YKJMBFLLJBYRQG-ZACQAIPSSA-N 1 2 347.503 2.064 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H](Nc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001096737562 1243206238 /nfs/dbraw/zinc/20/62/38/1243206238.db2.gz KTZQTSIVZXPTMK-AWEZNQCLSA-N 1 2 346.479 2.155 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](Nc1[nH+]cnc2c1cnn2C)C1CC1 ZINC001096807498 1243308663 /nfs/dbraw/zinc/30/86/63/1243308663.db2.gz PXYCBKNDKDJBAB-KDOFPFPSSA-N 1 2 342.447 2.272 20 30 EEEDLO C=CCCOCC(=O)N1CCC[C@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001096872567 1243402758 /nfs/dbraw/zinc/40/27/58/1243402758.db2.gz QGNGMSQYIQQKPE-MRXNPFEDSA-N 1 2 332.448 2.053 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)co1 ZINC001096995060 1243554637 /nfs/dbraw/zinc/55/46/37/1243554637.db2.gz RNJLFXIMYRZGHB-NUJGCVRESA-N 1 2 336.395 2.390 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)co1 ZINC001096995060 1243554642 /nfs/dbraw/zinc/55/46/42/1243554642.db2.gz RNJLFXIMYRZGHB-NUJGCVRESA-N 1 2 336.395 2.390 20 30 EEEDLO Cc1ccnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)n1 ZINC001097012546 1243575310 /nfs/dbraw/zinc/57/53/10/1243575310.db2.gz QPBPYRFZIWIGHZ-KURKYZTESA-N 1 2 347.422 2.192 20 30 EEEDLO Cc1ccnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)n1 ZINC001097012546 1243575316 /nfs/dbraw/zinc/57/53/16/1243575316.db2.gz QPBPYRFZIWIGHZ-KURKYZTESA-N 1 2 347.422 2.192 20 30 EEEDLO N#Cc1c(F)cccc1NC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001057397572 1243596180 /nfs/dbraw/zinc/59/61/80/1243596180.db2.gz JHPQYVUVUVJJRH-UHFFFAOYSA-N 1 2 341.390 2.387 20 30 EEEDLO CC(C)c1nnc(C[NH+]2CCC3(CN(C(=O)C#CC4CC4)C3)CC2)o1 ZINC001050515685 1243766501 /nfs/dbraw/zinc/76/65/01/1243766501.db2.gz JITAOQNTEHHEDU-UHFFFAOYSA-N 1 2 342.443 2.031 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc2scnc21 ZINC001050914055 1244611850 /nfs/dbraw/zinc/61/18/50/1244611850.db2.gz WXHBAEJFVDWBND-CYBMUJFWSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc2scnc21 ZINC001050914055 1244611861 /nfs/dbraw/zinc/61/18/61/1244611861.db2.gz WXHBAEJFVDWBND-CYBMUJFWSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccoc1C(F)(F)F ZINC001050940144 1244671283 /nfs/dbraw/zinc/67/12/83/1244671283.db2.gz PTAWOXAAPGXQKQ-NSHDSACASA-N 1 2 332.322 2.305 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccoc1C(F)(F)F ZINC001050940144 1244671294 /nfs/dbraw/zinc/67/12/94/1244671294.db2.gz PTAWOXAAPGXQKQ-NSHDSACASA-N 1 2 332.322 2.305 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2cc(C)cn2c1 ZINC001050954708 1244718536 /nfs/dbraw/zinc/71/85/36/1244718536.db2.gz YHKWYBXLRJCTKO-SFHVURJKSA-N 1 2 327.428 2.254 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2cc(C)cn2c1 ZINC001050954708 1244718549 /nfs/dbraw/zinc/71/85/49/1244718549.db2.gz YHKWYBXLRJCTKO-SFHVURJKSA-N 1 2 327.428 2.254 20 30 EEEDLO C=CCOc1ccccc1C(=O)NC[C@@H]1COCC[N@@H+]1CC1CC1 ZINC001050988107 1244792163 /nfs/dbraw/zinc/79/21/63/1244792163.db2.gz AJHKQONESBFCNW-MRXNPFEDSA-N 1 2 330.428 2.092 20 30 EEEDLO C=CCOc1ccccc1C(=O)NC[C@@H]1COCC[N@H+]1CC1CC1 ZINC001050988107 1244792172 /nfs/dbraw/zinc/79/21/72/1244792172.db2.gz AJHKQONESBFCNW-MRXNPFEDSA-N 1 2 330.428 2.092 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050991627 1244798190 /nfs/dbraw/zinc/79/81/90/1244798190.db2.gz BZOAMTTULHPUFI-HUUCEWRRSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050991627 1244798198 /nfs/dbraw/zinc/79/81/98/1244798198.db2.gz BZOAMTTULHPUFI-HUUCEWRRSA-N 1 2 346.475 2.298 20 30 EEEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cn(CC)c2ccccc12 ZINC001051017587 1244856275 /nfs/dbraw/zinc/85/62/75/1244856275.db2.gz SMBPIOIMZHYMBC-MRXNPFEDSA-N 1 2 339.439 2.115 20 30 EEEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(CC)c2ccccc12 ZINC001051017587 1244856282 /nfs/dbraw/zinc/85/62/82/1244856282.db2.gz SMBPIOIMZHYMBC-MRXNPFEDSA-N 1 2 339.439 2.115 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cn(C)nc1C1CCCC1 ZINC001051108034 1244992180 /nfs/dbraw/zinc/99/21/80/1244992180.db2.gz XMILZFMBFAKKPI-MRXNPFEDSA-N 1 2 346.475 2.084 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(C)nc1C1CCCC1 ZINC001051108034 1244992190 /nfs/dbraw/zinc/99/21/90/1244992190.db2.gz XMILZFMBFAKKPI-MRXNPFEDSA-N 1 2 346.475 2.084 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc(C(C)C)nc1C ZINC001051154421 1245057240 /nfs/dbraw/zinc/05/72/40/1245057240.db2.gz VJYCTAGFFVIVJS-MRXNPFEDSA-N 1 2 346.475 2.305 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc(C(C)C)nc1C ZINC001051154421 1245057249 /nfs/dbraw/zinc/05/72/49/1245057249.db2.gz VJYCTAGFFVIVJS-MRXNPFEDSA-N 1 2 346.475 2.305 20 30 EEEDLO C=C(C)C[N@@H+]1CCc2c(CNC(=O)c3[nH]ncc3F)cccc2C1 ZINC001051299517 1245498922 /nfs/dbraw/zinc/49/89/22/1245498922.db2.gz MTHBTXZWSLEXOB-UHFFFAOYSA-N 1 2 328.391 2.413 20 30 EEEDLO C=C(C)C[N@H+]1CCc2c(CNC(=O)c3[nH]ncc3F)cccc2C1 ZINC001051299517 1245498929 /nfs/dbraw/zinc/49/89/29/1245498929.db2.gz MTHBTXZWSLEXOB-UHFFFAOYSA-N 1 2 328.391 2.413 20 30 EEEDLO C=CCCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001051332008 1245561802 /nfs/dbraw/zinc/56/18/02/1245561802.db2.gz JHPPPLKTAKASIR-JKSUJKDBSA-N 1 2 346.475 2.062 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)CCCC1CC1)c1nccn12 ZINC001101640089 1246071659 /nfs/dbraw/zinc/07/16/59/1246071659.db2.gz WLJQFDWAQWFYGK-INIZCTEOSA-N 1 2 326.444 2.059 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccn(C(C)C)c1C)CCO2 ZINC001053390039 1246272443 /nfs/dbraw/zinc/27/24/43/1246272443.db2.gz RHRCHWDKUAKZNM-UHFFFAOYSA-N 1 2 331.460 2.480 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](c1cccnc1)C(C)C)CCO2 ZINC001053482540 1246379498 /nfs/dbraw/zinc/37/94/98/1246379498.db2.gz RAJCABQTMVLDJL-GOSISDBHSA-N 1 2 343.471 2.311 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(Cl)c3C)C2)CC1 ZINC001052031478 1246396138 /nfs/dbraw/zinc/39/61/38/1246396138.db2.gz PFDSVMXEQJLKPY-INIZCTEOSA-N 1 2 345.874 2.114 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC=CCCC3)C2)CC1 ZINC001052040631 1246410444 /nfs/dbraw/zinc/41/04/44/1246410444.db2.gz ISUSYWFBXHFPNG-WOJBJXKFSA-N 1 2 343.515 2.365 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)CC3(C)CC3)C2)CC1 ZINC001052052037 1246423032 /nfs/dbraw/zinc/42/30/32/1246423032.db2.gz GHJKYHLHHJKTMM-HNNXBMFYSA-N 1 2 325.884 2.148 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC3(C)C)C2)CC1 ZINC001052064041 1246434549 /nfs/dbraw/zinc/43/45/49/1246434549.db2.gz BDODLZOKYHGZKO-JKSUJKDBSA-N 1 2 339.911 2.394 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3cc[nH]c3CCC)C2)CC1 ZINC001052068615 1246441367 /nfs/dbraw/zinc/44/13/67/1246441367.db2.gz LCCIBHYCRVRRTN-QGZVFWFLSA-N 1 2 344.503 2.375 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)C3CCCC3)C2)CC1 ZINC001052106496 1246485786 /nfs/dbraw/zinc/48/57/86/1246485786.db2.gz MOJCQZACVKXYEC-MJGOQNOKSA-N 1 2 331.504 2.055 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001052111607 1246492637 /nfs/dbraw/zinc/49/26/37/1246492637.db2.gz AKYOAGXKEUCGAJ-GOSISDBHSA-N 1 2 345.874 2.195 20 30 EEEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(C)cc3OC)C2)CC1 ZINC001052110941 1246492731 /nfs/dbraw/zinc/49/27/31/1246492731.db2.gz ZZSMMGQCIMOZSK-KRWDZBQOSA-N 1 2 343.471 2.022 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(Cl)c3)C2)CC1 ZINC001052112206 1246493939 /nfs/dbraw/zinc/49/39/39/1246493939.db2.gz PBPKXIVBXILJNP-GOSISDBHSA-N 1 2 345.874 2.195 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1sc(Cl)nc1C)O2 ZINC001053604276 1246519227 /nfs/dbraw/zinc/51/92/27/1246519227.db2.gz ALGVLFZQPMYFOU-NSHDSACASA-N 1 2 341.864 2.254 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(CC)ccn1)O2 ZINC001053604922 1246520334 /nfs/dbraw/zinc/52/03/34/1246520334.db2.gz SQLRCWDLKUTNQA-MRXNPFEDSA-N 1 2 329.444 2.183 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC2(C[NH+](CC(=C)C)C2)O1 ZINC001053610894 1246530058 /nfs/dbraw/zinc/53/00/58/1246530058.db2.gz FIDZVIASBSYQEF-INIZCTEOSA-N 1 2 329.444 2.213 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1[nH]nc3ccc(C)cc31)O2 ZINC001053624211 1246549376 /nfs/dbraw/zinc/54/93/76/1246549376.db2.gz MFQQWMIXCCMKJS-AWEZNQCLSA-N 1 2 340.427 2.021 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)O2 ZINC001053629187 1246558594 /nfs/dbraw/zinc/55/85/94/1246558594.db2.gz INMSLSYBTTYOKO-WSTZPKSXSA-N 1 2 340.467 2.500 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc3ccccc3c1)O2 ZINC001053668146 1246615674 /nfs/dbraw/zinc/61/56/74/1246615674.db2.gz JGGGJCXBLPIGFK-QGZVFWFLSA-N 1 2 337.423 2.384 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc(C(C)C)nc1C)O2 ZINC001053673433 1246624503 /nfs/dbraw/zinc/62/45/03/1246624503.db2.gz UDDWNYJUHXETHN-OAHLLOKOSA-N 1 2 344.459 2.058 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(COC)cc1)O2 ZINC001053695585 1246667016 /nfs/dbraw/zinc/66/70/16/1246667016.db2.gz NCOQSSXKXZCEJE-SFHVURJKSA-N 1 2 344.455 2.372 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cncc3ccccc31)O2 ZINC001053699680 1246675825 /nfs/dbraw/zinc/67/58/25/1246675825.db2.gz HTPUKBRMMJPIPU-MRXNPFEDSA-N 1 2 337.423 2.384 20 30 EEEDLO C=CCOc1ccccc1C(=O)N[C@@H]1COC2(C[NH+](CC(=C)C)C2)C1 ZINC001053849160 1246905538 /nfs/dbraw/zinc/90/55/38/1246905538.db2.gz CPHJCONBDYIGRV-INIZCTEOSA-N 1 2 342.439 2.401 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccnc1C1CC1)CO2 ZINC001053858543 1246919544 /nfs/dbraw/zinc/91/95/44/1246919544.db2.gz KDINJWUHMDYRPA-HNNXBMFYSA-N 1 2 327.428 2.108 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2COC3(C[NH+](C[C@H]4CCCCO4)C3)C2)CC1 ZINC001053914322 1247007293 /nfs/dbraw/zinc/00/72/93/1247007293.db2.gz KKVDSQANURUFCR-ZWKOTPCHSA-N 1 2 348.487 2.261 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)c1ccccc1F)CO2 ZINC001053960524 1247071755 /nfs/dbraw/zinc/07/17/55/1247071755.db2.gz CKHJVUTZGNIJDR-CABCVRRESA-N 1 2 332.419 2.465 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1csc3c1CCCC3)CO2 ZINC001054001479 1247134332 /nfs/dbraw/zinc/13/43/32/1247134332.db2.gz ZUWHTJMKSGKCDO-AWEZNQCLSA-N 1 2 344.480 2.223 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1sc(CCC)nc1C)CO2 ZINC001054005282 1247139027 /nfs/dbraw/zinc/13/90/27/1247139027.db2.gz BBRZFEHJNPXSFW-AWEZNQCLSA-N 1 2 347.484 2.000 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1csc(C3CC3)n1)CO2 ZINC001054021865 1247163086 /nfs/dbraw/zinc/16/30/86/1247163086.db2.gz WNFHGACUYINTOZ-ZDUSSCGKSA-N 1 2 333.457 2.170 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(-c3ccccc3)[nH]1)CO2 ZINC001054022662 1247163372 /nfs/dbraw/zinc/16/33/72/1247163372.db2.gz MYRWIVXQTJEVCZ-QGZVFWFLSA-N 1 2 349.434 2.278 20 30 EEEDLO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(OC)no1 ZINC001054036032 1247189841 /nfs/dbraw/zinc/18/98/41/1247189841.db2.gz AKKWJWAZPSLLNM-HNNXBMFYSA-N 1 2 327.384 2.026 20 30 EEEDLO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(OC)no1 ZINC001054036032 1247189849 /nfs/dbraw/zinc/18/98/49/1247189849.db2.gz AKKWJWAZPSLLNM-HNNXBMFYSA-N 1 2 327.384 2.026 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc2cccn2cn1 ZINC001054044324 1247215147 /nfs/dbraw/zinc/21/51/47/1247215147.db2.gz UHSKBVFYFHGBHE-IBGZPJMESA-N 1 2 344.418 2.124 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc2cccn2cn1 ZINC001054044324 1247215156 /nfs/dbraw/zinc/21/51/56/1247215156.db2.gz UHSKBVFYFHGBHE-IBGZPJMESA-N 1 2 344.418 2.124 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn(C)c(C)cc2=O)CC1 ZINC001052469345 1247356001 /nfs/dbraw/zinc/35/60/01/1247356001.db2.gz PGJHSIAZAXNMMD-CQSZACIVSA-N 1 2 337.851 2.031 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c(C)cc2=O)CC1 ZINC001052469345 1247356012 /nfs/dbraw/zinc/35/60/12/1247356012.db2.gz PGJHSIAZAXNMMD-CQSZACIVSA-N 1 2 337.851 2.031 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cccn4nccc34)cc2C1 ZINC001054272983 1247968941 /nfs/dbraw/zinc/96/89/41/1247968941.db2.gz NMTLPJCJSODEBL-UHFFFAOYSA-N 1 2 330.391 2.213 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cccn4nccc34)cc2C1 ZINC001054272983 1247968954 /nfs/dbraw/zinc/96/89/54/1247968954.db2.gz NMTLPJCJSODEBL-UHFFFAOYSA-N 1 2 330.391 2.213 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cccc4[nH]cnc43)cc2C1 ZINC001054287195 1248013129 /nfs/dbraw/zinc/01/31/29/1248013129.db2.gz CLJFEMBENKILJD-UHFFFAOYSA-N 1 2 330.391 2.442 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cccc4[nH]cnc43)cc2C1 ZINC001054287195 1248013138 /nfs/dbraw/zinc/01/31/38/1248013138.db2.gz CLJFEMBENKILJD-UHFFFAOYSA-N 1 2 330.391 2.442 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3n[nH]c4c3C[C@H](C)CC4)cc2C1 ZINC001054287172 1248013326 /nfs/dbraw/zinc/01/33/26/1248013326.db2.gz BSWWRXHICVHEPU-CQSZACIVSA-N 1 2 348.450 2.413 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3n[nH]c4c3C[C@H](C)CC4)cc2C1 ZINC001054287172 1248013333 /nfs/dbraw/zinc/01/33/33/1248013333.db2.gz BSWWRXHICVHEPU-CQSZACIVSA-N 1 2 348.450 2.413 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cnn(CC(C)C)c3)cc2C1 ZINC001054287535 1248015573 /nfs/dbraw/zinc/01/55/73/1248015573.db2.gz NYFXUDVVGIFHCX-UHFFFAOYSA-N 1 2 336.439 2.418 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cnn(CC(C)C)c3)cc2C1 ZINC001054287535 1248015582 /nfs/dbraw/zinc/01/55/82/1248015582.db2.gz NYFXUDVVGIFHCX-UHFFFAOYSA-N 1 2 336.439 2.418 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2[C@H]3CN(c4cc[nH+]c(C)n4)C[C@H]32)CC1 ZINC001068193900 1250490556 /nfs/dbraw/zinc/49/05/56/1250490556.db2.gz JOXSSRVXFDYIFE-OSYLJGHBSA-N 1 2 326.444 2.330 20 30 EEEDLO Cc1nc(N(C)C2CCN(C(=O)C#CC3CC3)CC2)c(C)c(C)[nH+]1 ZINC001068672481 1251501753 /nfs/dbraw/zinc/50/17/53/1251501753.db2.gz FQPJWZBHHIUBRZ-UHFFFAOYSA-N 1 2 326.444 2.242 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(N(C)c2cc[nH+]c(C)n2)CC1 ZINC001068734419 1251604463 /nfs/dbraw/zinc/60/44/63/1251604463.db2.gz ASWMGHAUWRLWJP-WMZOPIPTSA-N 1 2 344.459 2.193 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/nfs/dbraw/zinc/43/50/28/1303435028.db2.gz OZHILXPJMRGHFI-GOSISDBHSA-N 1 2 327.428 2.350 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(C)(C)C ZINC001230784149 1303456282 /nfs/dbraw/zinc/45/62/82/1303456282.db2.gz CYHVNNXWJDQASH-MRXNPFEDSA-N 1 2 337.508 2.380 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC(C)(C)C ZINC001230784149 1303456285 /nfs/dbraw/zinc/45/62/85/1303456285.db2.gz CYHVNNXWJDQASH-MRXNPFEDSA-N 1 2 337.508 2.380 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)NCc1ccccc1 ZINC001231122670 1303641003 /nfs/dbraw/zinc/64/10/03/1303641003.db2.gz MRLMDIVSJHDSCI-SJLPKXTDSA-N 1 2 343.471 2.190 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)NCc1ccccc1 ZINC001231122670 1303641010 /nfs/dbraw/zinc/64/10/10/1303641010.db2.gz MRLMDIVSJHDSCI-SJLPKXTDSA-N 1 2 343.471 2.190 20 30 EEEDLO COC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001231217578 1303686612 /nfs/dbraw/zinc/68/66/12/1303686612.db2.gz QKVYDXIIQSVLJC-BBRMVZONSA-N 1 2 333.407 2.013 20 30 EEEDLO COC[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001231217578 1303686616 /nfs/dbraw/zinc/68/66/16/1303686616.db2.gz QKVYDXIIQSVLJC-BBRMVZONSA-N 1 2 333.407 2.013 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H]1COCCN1c1nc(C)[nH+]c(C)c1C ZINC001111700474 1303789083 /nfs/dbraw/zinc/78/90/83/1303789083.db2.gz PTOKLABFBNNIAH-MRXNPFEDSA-N 1 2 346.475 2.326 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1COCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC001111714320 1303798025 /nfs/dbraw/zinc/79/80/25/1303798025.db2.gz XCLHKCALAXHRCQ-INIZCTEOSA-N 1 2 344.459 2.340 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1COCCN1c1cc(C)[nH+]c(CC)n1 ZINC001111717380 1303801206 /nfs/dbraw/zinc/80/12/06/1303801206.db2.gz RNHREFGHHVFQFG-KXBFYZLASA-N 1 2 346.475 2.271 20 30 EEEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC)Cc2ncn(C)c21 ZINC001231619275 1303867559 /nfs/dbraw/zinc/86/75/59/1303867559.db2.gz SVJKGPHBWPGUJY-HNNXBMFYSA-N 1 2 326.400 2.046 20 30 EEEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)Cc2ncn(C)c21 ZINC001231619275 1303867561 /nfs/dbraw/zinc/86/75/61/1303867561.db2.gz SVJKGPHBWPGUJY-HNNXBMFYSA-N 1 2 326.400 2.046 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC3(CNC(=O)O3)CC2)c1C ZINC000782005136 1303921291 /nfs/dbraw/zinc/92/12/91/1303921291.db2.gz WUJILXBPZMZEGF-UHFFFAOYSA-N 1 2 331.416 2.048 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3cc(C#N)ccn3)C[C@@H]21 ZINC001232477177 1304141003 /nfs/dbraw/zinc/14/10/03/1304141003.db2.gz KXSQTQZWVHPCEX-HOCLYGCPSA-N 1 2 328.416 2.394 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3cc(C#N)ccn3)C[C@@H]21 ZINC001232477177 1304141010 /nfs/dbraw/zinc/14/10/10/1304141010.db2.gz KXSQTQZWVHPCEX-HOCLYGCPSA-N 1 2 328.416 2.394 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc(C#N)ccc3O)C[C@@H]21 ZINC001232677662 1304213045 /nfs/dbraw/zinc/21/30/45/1304213045.db2.gz HPVAQYRFFZMKOC-GJZGRUSLSA-N 1 2 329.400 2.315 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3O)C[C@@H]21 ZINC001232677662 1304213054 /nfs/dbraw/zinc/21/30/54/1304213054.db2.gz 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/nfs/dbraw/zinc/71/14/58/1304711458.db2.gz XZHFJFHCFLUVKZ-MOPGFXCFSA-N 1 2 344.430 2.135 20 30 EEEDLO C[C@H](CCCNc1ncccc1C#N)NC(=O)CCc1[nH+]ccn1C ZINC001115131029 1304721704 /nfs/dbraw/zinc/72/17/04/1304721704.db2.gz GOTZSFPMHDMLBV-CQSZACIVSA-N 1 2 340.431 2.016 20 30 EEEDLO C#CCOCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC001234246395 1304820581 /nfs/dbraw/zinc/82/05/81/1304820581.db2.gz NFPDLRXQUJKDPO-HNNXBMFYSA-N 1 2 336.382 2.037 20 30 EEEDLO C#CCOCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC001234246395 1304820590 /nfs/dbraw/zinc/82/05/90/1304820590.db2.gz NFPDLRXQUJKDPO-HNNXBMFYSA-N 1 2 336.382 2.037 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cnc(C)nc1)OCC ZINC001234641539 1304997355 /nfs/dbraw/zinc/99/73/55/1304997355.db2.gz DPCGYRYGTZXLSZ-ZWKOTPCHSA-N 1 2 346.475 2.189 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cnc(C)nc1)OCC ZINC001234641539 1304997358 /nfs/dbraw/zinc/99/73/58/1304997358.db2.gz DPCGYRYGTZXLSZ-ZWKOTPCHSA-N 1 2 346.475 2.189 20 30 EEEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1)C(C)C ZINC000798551766 1305026137 /nfs/dbraw/zinc/02/61/37/1305026137.db2.gz BUAAZCQDWBTQME-SFHVURJKSA-N 1 2 343.471 2.489 20 30 EEEDLO C=CCN1CC[C@@H](OC(=O)[C@H](c2ccccc2)[NH+](CC)CC)C1=O ZINC000798615112 1305040573 /nfs/dbraw/zinc/04/05/73/1305040573.db2.gz QFFPWQFYYDBFEE-SJORKVTESA-N 1 2 330.428 2.400 20 30 EEEDLO COCCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001235155810 1305130395 /nfs/dbraw/zinc/13/03/95/1305130395.db2.gz BBIDRBWYURQWQP-CQSZACIVSA-N 1 2 347.484 2.469 20 30 EEEDLO COCCC1(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001235155810 1305130402 /nfs/dbraw/zinc/13/04/02/1305130402.db2.gz BBIDRBWYURQWQP-CQSZACIVSA-N 1 2 347.484 2.469 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCCN(c3ccc(C)cc3)C2=O)C1=O ZINC000799176592 1305177489 /nfs/dbraw/zinc/17/74/89/1305177489.db2.gz YZGHIDABLKMTSW-ZWKOTPCHSA-N 1 2 341.455 2.209 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(c3ccc(C)cc3)C2=O)C1=O ZINC000799176592 1305177492 /nfs/dbraw/zinc/17/74/92/1305177492.db2.gz YZGHIDABLKMTSW-ZWKOTPCHSA-N 1 2 341.455 2.209 20 30 EEEDLO C[C@H](CN(C)C(=O)CCc1[nH]cc[nH+]1)Nc1cccc(F)c1C#N ZINC001115688683 1305617775 /nfs/dbraw/zinc/61/77/75/1305617775.db2.gz IDLUJGRSNSBJFP-GFCCVEGCSA-N 1 2 329.379 2.312 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)ccn1 ZINC001237466450 1305946674 /nfs/dbraw/zinc/94/66/74/1305946674.db2.gz UCZDUVNUWXNTPQ-WBVHZDCISA-N 1 2 336.395 2.283 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)ccn1 ZINC001237466450 1305946677 /nfs/dbraw/zinc/94/66/77/1305946677.db2.gz UCZDUVNUWXNTPQ-WBVHZDCISA-N 1 2 336.395 2.283 20 30 EEEDLO N#Cc1cc(Cl)nc(NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC001120888649 1309818150 /nfs/dbraw/zinc/81/81/50/1309818150.db2.gz GJQLTELNQDNMRE-OAHLLOKOSA-N 1 2 338.864 2.226 20 30 EEEDLO Cn1c(-c2ccccc2)cnc1SC[C@@H](O)C[N@H+](C)CCC#N ZINC000840737584 1315404448 /nfs/dbraw/zinc/40/44/48/1315404448.db2.gz GBQKHXQNLSZPRW-HNNXBMFYSA-N 1 2 330.457 2.386 20 30 EEEDLO Cn1c(-c2ccccc2)cnc1SC[C@@H](O)C[N@@H+](C)CCC#N ZINC000840737584 1315404453 /nfs/dbraw/zinc/40/44/53/1315404453.db2.gz GBQKHXQNLSZPRW-HNNXBMFYSA-N 1 2 330.457 2.386 20 30 EEEDLO Cc1ccc2[nH+]c(CSCC(=O)Nc3n[nH]cc3C#N)cn2c1 ZINC001142808308 1315756283 /nfs/dbraw/zinc/75/62/83/1315756283.db2.gz PGIZUZCFEDXTGV-UHFFFAOYSA-N 1 2 326.385 2.109 20 30 EEEDLO C#CCCCCC(=O)NC[C@H]1C[N@H+](Cc2ccns2)CCCO1 ZINC001149580582 1315993997 /nfs/dbraw/zinc/99/39/97/1315993997.db2.gz WAJGFPXDVOAGMN-HNNXBMFYSA-N 1 2 335.473 2.044 20 30 EEEDLO C#CCCCCC(=O)NC[C@H]1C[N@@H+](Cc2ccns2)CCCO1 ZINC001149580582 1315993999 /nfs/dbraw/zinc/99/39/99/1315993999.db2.gz WAJGFPXDVOAGMN-HNNXBMFYSA-N 1 2 335.473 2.044 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@H+](Cc3nc(C)oc3C)CCCO2)C1 ZINC001150306811 1316231726 /nfs/dbraw/zinc/23/17/26/1316231726.db2.gz JRXSLLDQXKTZEW-MRXNPFEDSA-N 1 2 347.459 2.355 20 30 EEEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@@H+](Cc3nc(C)oc3C)CCCO2)C1 ZINC001150306811 1316231732 /nfs/dbraw/zinc/23/17/32/1316231732.db2.gz JRXSLLDQXKTZEW-MRXNPFEDSA-N 1 2 347.459 2.355 20 30 EEEDLO COCCC1(NC(=O)C#CC(C)C)CC[NH+](Cc2ncc(C)o2)CC1 ZINC001151115082 1316451983 /nfs/dbraw/zinc/45/19/83/1316451983.db2.gz PXNWYEWKVVRJQM-UHFFFAOYSA-N 1 2 347.459 2.130 20 30 EEEDLO CC[N@H+](Cc1c(C)nn(C)c1Cl)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232456 1316794991 /nfs/dbraw/zinc/79/49/91/1316794991.db2.gz DZDQPRPONWWHHZ-GFCCVEGCSA-N 1 2 336.867 2.122 20 30 EEEDLO CC[N@@H+](Cc1c(C)nn(C)c1Cl)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153232456 1316794993 /nfs/dbraw/zinc/79/49/93/1316794993.db2.gz DZDQPRPONWWHHZ-GFCCVEGCSA-N 1 2 336.867 2.122 20 30 EEEDLO C=CCOC[C@H](O)C[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC001252471072 1317610717 /nfs/dbraw/zinc/61/07/17/1317610717.db2.gz BLQGIEQQCWVYHQ-CQSZACIVSA-N 1 2 342.233 2.207 20 30 EEEDLO C=CCOC[C@H](O)C[N@H+]1CCOc2ccc(Br)cc2C1 ZINC001252471072 1317610723 /nfs/dbraw/zinc/61/07/23/1317610723.db2.gz BLQGIEQQCWVYHQ-CQSZACIVSA-N 1 2 342.233 2.207 20 30 EEEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1nc(Cl)c2cc(F)ccc2n1 ZINC001156319880 1317963446 /nfs/dbraw/zinc/96/34/46/1317963446.db2.gz IBWYXCXWNVSLSF-VIFPVBQESA-N 1 2 341.724 2.269 20 30 EEEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCc3onc(C(=O)Nc4cccnc4)c3C2)C1 ZINC001254666730 1318162651 /nfs/dbraw/zinc/16/26/51/1318162651.db2.gz XSPWHDGSLJKSDD-GXTWGEPZSA-N 1 2 337.383 2.372 20 30 EEEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3onc(C(=O)Nc4cccnc4)c3C2)C1 ZINC001254666730 1318162661 /nfs/dbraw/zinc/16/26/61/1318162661.db2.gz XSPWHDGSLJKSDD-GXTWGEPZSA-N 1 2 337.383 2.372 20 30 EEEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@]2(C1)COCc1c(C)nc(N(C)C)nc12 ZINC001255169547 1318310028 /nfs/dbraw/zinc/31/00/28/1318310028.db2.gz GWZJESYDAPSFAP-KSSFIOAISA-N 1 2 329.448 2.017 20 30 EEEDLO CC[C@@H](CC#N)[N@H+]1CC[C@]2(C1)COCc1c(C)nc(N(C)C)nc12 ZINC001255169547 1318310038 /nfs/dbraw/zinc/31/00/38/1318310038.db2.gz GWZJESYDAPSFAP-KSSFIOAISA-N 1 2 329.448 2.017 20 30 EEEDLO CCOC(=O)CCC[C@H](C)[NH2+][C@H](Cc1ccc(C#N)cc1)C(=O)OC ZINC001258117921 1319176400 /nfs/dbraw/zinc/17/64/00/1319176400.db2.gz RPIZDYWMELJSKF-WMLDXEAASA-N 1 2 346.427 2.354 20 30 EEEDLO N#CCOc1ccc(C[NH2+]CCCNC(=O)C(F)C(F)(F)F)cc1 ZINC001158472228 1319256026 /nfs/dbraw/zinc/25/60/26/1319256026.db2.gz VJLVBPRKKYCDSP-CYBMUJFWSA-N 1 2 347.312 2.085 20 30 EEEDLO N#CCOc1ccc(C[NH2+]CCCNC(=O)[C@@H](F)C(F)(F)F)cc1 ZINC001158472228 1319256030 /nfs/dbraw/zinc/25/60/30/1319256030.db2.gz VJLVBPRKKYCDSP-CYBMUJFWSA-N 1 2 347.312 2.085 20 30 EEEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001258547589 1319288914 /nfs/dbraw/zinc/28/89/14/1319288914.db2.gz HALBVYRAGHVAMN-NEPJUHHUSA-N 1 2 346.493 2.226 20 30 EEEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCN(C(=O)c2ccccc2)CC1)C(=O)OCC ZINC001258637866 1319315803 /nfs/dbraw/zinc/31/58/03/1319315803.db2.gz HZEOXJYGWZJLJF-JXFKEZNVSA-N 1 2 342.439 2.389 20 30 EEEDLO C=CCOC(=O)N[C@@H]1CCCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC001158915641 1319506146 /nfs/dbraw/zinc/50/61/46/1319506146.db2.gz VEDNKCQISOKFHN-OAHLLOKOSA-N 1 2 345.447 2.348 20 30 EEEDLO C=CCOC(=O)N[C@@H]1CCCN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC001158915641 1319506154 /nfs/dbraw/zinc/50/61/54/1319506154.db2.gz VEDNKCQISOKFHN-OAHLLOKOSA-N 1 2 345.447 2.348 20 30 EEEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@H+]([C@@H](C)c2nnnn2C)CC1 ZINC001160242556 1320108902 /nfs/dbraw/zinc/10/89/02/1320108902.db2.gz WPFKLAYAEZRPHV-AWEZNQCLSA-N 1 2 346.479 2.012 20 30 EEEDLO C=CC(C)(C)CC(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nnnn2C)CC1 ZINC001160242556 1320108906 /nfs/dbraw/zinc/10/89/06/1320108906.db2.gz WPFKLAYAEZRPHV-AWEZNQCLSA-N 1 2 346.479 2.012 20 30 EEEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@H+]([C@@H](C)c2nncn2C)CC1 ZINC001160888408 1320305939 /nfs/dbraw/zinc/30/59/39/1320305939.db2.gz XAQMOKLJCQVHPY-AWEZNQCLSA-N 1 2 331.464 2.227 20 30 EEEDLO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+]([C@@H](C)c2nncn2C)CC1 ZINC001160888408 1320305943 /nfs/dbraw/zinc/30/59/43/1320305943.db2.gz XAQMOKLJCQVHPY-AWEZNQCLSA-N 1 2 331.464 2.227 20 30 EEEDLO Cc1ccc(C#N)c(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n1 ZINC001163895182 1321241510 /nfs/dbraw/zinc/24/15/10/1321241510.db2.gz ITLMJSQDQYBQNM-UHFFFAOYSA-N 1 2 336.395 2.313 20 30 EEEDLO N#C[C@@H](c1ccc(N2CC[NH2+]CC(F)(F)C2)nn1)c1ccccc1F ZINC001164497987 1321397609 /nfs/dbraw/zinc/39/76/09/1321397609.db2.gz MZRRQNKDYUHKBD-CYBMUJFWSA-N 1 2 347.344 2.316 20 30 EEEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC001204503410 1322158885 /nfs/dbraw/zinc/15/88/85/1322158885.db2.gz UKXOUVGNQKOTGR-UHFFFAOYSA-N 1 2 330.395 2.219 20 30 EEEDLO C=CCN(C)c1nnc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC(C)C ZINC001263395473 1322475372 /nfs/dbraw/zinc/47/53/72/1322475372.db2.gz YLBYJKRXVUVESG-JKSUJKDBSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCN(C)c1nnc([C@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC(C)C ZINC001263395473 1322475374 /nfs/dbraw/zinc/47/53/74/1322475374.db2.gz YLBYJKRXVUVESG-JKSUJKDBSA-N 1 2 333.480 2.482 20 30 EEEDLO CC(=O)CCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001205983521 1323361749 /nfs/dbraw/zinc/36/17/49/1323361749.db2.gz JYGJQDOHIMAIJH-DNVCBOLYSA-N 1 2 344.430 2.373 20 30 EEEDLO CC(=O)CCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC001205983521 1323361754 /nfs/dbraw/zinc/36/17/54/1323361754.db2.gz JYGJQDOHIMAIJH-DNVCBOLYSA-N 1 2 344.430 2.373 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CO[C@H](C)CC)C1 ZINC001206878693 1323659318 /nfs/dbraw/zinc/65/93/18/1323659318.db2.gz YILRGKOUPVRFAF-RAIGVLPGSA-N 1 2 333.270 2.147 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CO[C@H](C)CC)C1 ZINC001206878693 1323659323 /nfs/dbraw/zinc/65/93/23/1323659323.db2.gz YILRGKOUPVRFAF-RAIGVLPGSA-N 1 2 333.270 2.147 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2(OC)CCC2)C1 ZINC001206914416 1323697861 /nfs/dbraw/zinc/69/78/61/1323697861.db2.gz DSOPZSBHTMBKCV-DGCLKSJQSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2(OC)CCC2)C1 ZINC001206914416 1323697867 /nfs/dbraw/zinc/69/78/67/1323697867.db2.gz DSOPZSBHTMBKCV-DGCLKSJQSA-N 1 2 345.281 2.291 20 30 EEEDLO Cn1cc(CN2CCC23C[NH+](Cc2cccn4ccnc24)C3)cc1C#N ZINC001279121740 1323835351 /nfs/dbraw/zinc/83/53/51/1323835351.db2.gz KXEWJEGBPKRZKZ-UHFFFAOYSA-N 1 2 346.438 2.005 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3nc(C)c(C)o3)C[C@H]2C)CCC1 ZINC001207510874 1323999782 /nfs/dbraw/zinc/99/97/82/1323999782.db2.gz VVLPSJAOBSEDTF-CZUORRHYSA-N 1 2 329.444 2.422 20 30 EEEDLO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3nc(C)c(C)o3)C[C@H]2C)CCC1 ZINC001207510874 1323999787 /nfs/dbraw/zinc/99/97/87/1323999787.db2.gz VVLPSJAOBSEDTF-CZUORRHYSA-N 1 2 329.444 2.422 20 30 EEEDLO Cc1c(C[NH+]2CC3(C[C@H]3C(=O)NC3(C#N)CCC3)C2)nc2ccccn12 ZINC001279872492 1324020423 /nfs/dbraw/zinc/02/04/23/1324020423.db2.gz WTCJIIOKDKBGTG-HNNXBMFYSA-N 1 2 349.438 2.027 20 30 EEEDLO Cc1c(CN2CC3(C[C@H]3C(=O)NC3(C#N)CCC3)C2)[nH+]c2ccccn12 ZINC001279872492 1324020434 /nfs/dbraw/zinc/02/04/34/1324020434.db2.gz WTCJIIOKDKBGTG-HNNXBMFYSA-N 1 2 349.438 2.027 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CN(C)C(=O)CCCC(C)C)C1=O ZINC001316604201 1324291516 /nfs/dbraw/zinc/29/15/16/1324291516.db2.gz 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C#CCC1(C(=O)N2CCC[C@H]([NH2+][C@H](C)c3nc(CC)no3)C2)CCC1 ZINC001208321898 1324424674 /nfs/dbraw/zinc/42/46/74/1324424674.db2.gz NJEQIVIDYKKQSO-CABCVRRESA-N 1 2 344.459 2.467 20 30 EEEDLO COCC#CC[N@@H+]1CCC[C@H](NC(=O)c2scnc2C(C)C)C1 ZINC001317985364 1332457350 /nfs/dbraw/zinc/45/73/50/1332457350.db2.gz WMOGPWLFYIQRPH-AWEZNQCLSA-N 1 2 335.473 2.111 20 30 EEEDLO COCC#CC[N@H+]1CCC[C@H](NC(=O)c2scnc2C(C)C)C1 ZINC001317985364 1332457352 /nfs/dbraw/zinc/45/73/52/1332457352.db2.gz WMOGPWLFYIQRPH-AWEZNQCLSA-N 1 2 335.473 2.111 20 30 EEEDLO CN1CCc2cc(C=[NH+]NC(=S)NCc3cccnc3)ccc21 ZINC001319542893 1332718287 /nfs/dbraw/zinc/71/82/87/1332718287.db2.gz IMFHDGSYXRPCME-UHFFFAOYSA-N 1 2 325.441 2.072 20 30 EEEDLO C=CCN(C(=O)C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C(C)C ZINC001334946433 1336316007 /nfs/dbraw/zinc/31/60/07/1336316007.db2.gz SPLKPIDLHWQXJI-QGZVFWFLSA-N 1 2 343.471 2.315 20 30 EEEDLO C#C[C@@H](C)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001347967803 1337528050 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/nfs/dbraw/zinc/25/48/75/765254875.db2.gz KNZSPNPLBUBZSO-CHWSQXEVSA-N 1 2 330.436 2.224 20 30 EEEDLO C=CCOCC(=O)N1CCC(CCN(C)c2cc[nH+]c(C)n2)CC1 ZINC001105099620 769066844 /nfs/dbraw/zinc/06/68/44/769066844.db2.gz DNJSBPLHJZTPEW-UHFFFAOYSA-N 1 2 332.448 2.053 20 30 EEEDLO C=CCCCC(=O)NC[C@@H](Nc1[nH+]cnc2c1cnn2C)C(C)C ZINC001105267623 769516172 /nfs/dbraw/zinc/51/61/72/769516172.db2.gz MAFNJVPRPAPOGL-CQSZACIVSA-N 1 2 330.436 2.272 20 30 EEEDLO Cc1ccc(C#N)c(NC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C)n1 ZINC001125974712 769817588 /nfs/dbraw/zinc/81/75/88/769817588.db2.gz OTPYRKAWNLBKAK-CQSZACIVSA-N 1 2 340.431 2.170 20 30 EEEDLO C[C@H](C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1)Nc1ncccc1C#N ZINC001089498540 769910874 /nfs/dbraw/zinc/91/08/74/769910874.db2.gz INEIKKPBPQPYGI-QWHCGFSZSA-N 1 2 326.404 2.004 20 30 EEEDLO C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)Nc1ncccc1C#N ZINC001089498540 769910880 /nfs/dbraw/zinc/91/08/80/769910880.db2.gz INEIKKPBPQPYGI-QWHCGFSZSA-N 1 2 326.404 2.004 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(c2cc[nH+]c(C)n2)CCCO1 ZINC001089551626 770288291 /nfs/dbraw/zinc/28/82/91/770288291.db2.gz IASNQJLKEIQLKY-OAHLLOKOSA-N 1 2 332.448 2.099 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccnn3C(F)F)[C@@H]2C1 ZINC001075833309 782823372 /nfs/dbraw/zinc/82/33/72/782823372.db2.gz KUCDDXWAEDVRSR-CMPLNLGQSA-N 1 2 330.766 2.177 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccnn3C(F)F)[C@@H]2C1 ZINC001075833309 782823379 /nfs/dbraw/zinc/82/33/79/782823379.db2.gz KUCDDXWAEDVRSR-CMPLNLGQSA-N 1 2 330.766 2.177 20 30 EEEDLO Cc1cc[nH]c1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031644955 770566098 /nfs/dbraw/zinc/56/60/98/770566098.db2.gz VJQCFDCPLDFORF-UHFFFAOYSA-N 1 2 326.375 2.196 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)s1 ZINC001027830629 770926094 /nfs/dbraw/zinc/92/60/94/770926094.db2.gz FMVRJNKRQUFWLX-ZDUSSCGKSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1cnc(C[N@H+]2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)s1 ZINC001027830629 770926099 /nfs/dbraw/zinc/92/60/99/770926099.db2.gz FMVRJNKRQUFWLX-ZDUSSCGKSA-N 1 2 329.429 2.046 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccncc2Cl)[nH]1 ZINC001027833675 773212372 /nfs/dbraw/zinc/21/23/72/773212372.db2.gz QGJJZONUMAPHIM-AWEZNQCLSA-N 1 2 343.818 2.329 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccncc2Cl)[nH]1 ZINC001027833675 773212380 /nfs/dbraw/zinc/21/23/80/773212380.db2.gz QGJJZONUMAPHIM-AWEZNQCLSA-N 1 2 343.818 2.329 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001083762491 773476486 /nfs/dbraw/zinc/47/64/86/773476486.db2.gz KRSRLQQRVYRJOB-CVEARBPZSA-N 1 2 334.847 2.358 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]2O)C1 ZINC001083762491 773476488 /nfs/dbraw/zinc/47/64/88/773476488.db2.gz KRSRLQQRVYRJOB-CVEARBPZSA-N 1 2 334.847 2.358 20 30 EEEDLO C=CCO[C@H](C)C(=O)NC[C@@H](C)N(CC)c1nc(C)[nH+]c(C)c1C ZINC001089659741 774038547 /nfs/dbraw/zinc/03/85/47/774038547.db2.gz IPSNTCVGJVIOLZ-IUODEOHRSA-N 1 2 334.464 2.324 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1nocc1C ZINC001027888523 774056513 /nfs/dbraw/zinc/05/65/13/774056513.db2.gz RVNMHSIMPJHDDV-UXLLHSPISA-N 1 2 333.432 2.045 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1nocc1C ZINC001027888523 774056522 /nfs/dbraw/zinc/05/65/22/774056522.db2.gz RVNMHSIMPJHDDV-UXLLHSPISA-N 1 2 333.432 2.045 20 30 EEEDLO CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001089731085 774781980 /nfs/dbraw/zinc/78/19/80/774781980.db2.gz KNLYKRIHHUIRHQ-OAHLLOKOSA-N 1 2 339.443 2.202 20 30 EEEDLO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001089731085 774781985 /nfs/dbraw/zinc/78/19/85/774781985.db2.gz KNLYKRIHHUIRHQ-OAHLLOKOSA-N 1 2 339.443 2.202 20 30 EEEDLO C[C@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000981033384 776371502 /nfs/dbraw/zinc/37/15/02/776371502.db2.gz KIAVWKAYAKVMLX-PBHICJAKSA-N 1 2 347.484 2.469 20 30 EEEDLO C[C@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000981033384 776371508 /nfs/dbraw/zinc/37/15/08/776371508.db2.gz KIAVWKAYAKVMLX-PBHICJAKSA-N 1 2 347.484 2.469 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3ncc[nH]3)CC2)s1 ZINC000981080338 776452871 /nfs/dbraw/zinc/45/28/71/776452871.db2.gz XFSWSVAKMXYCNA-UHFFFAOYSA-N 1 2 343.456 2.010 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ncc[nH]3)CC2)s1 ZINC000981080338 776452877 /nfs/dbraw/zinc/45/28/77/776452877.db2.gz XFSWSVAKMXYCNA-UHFFFAOYSA-N 1 2 343.456 2.010 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(CC)CCNc1[nH+]cnc2c1cnn2C ZINC001106915670 777125403 /nfs/dbraw/zinc/12/54/03/777125403.db2.gz QPSRXTSVWGQIRT-CYBMUJFWSA-N 1 2 330.436 2.226 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)c(F)c3)CC2)CO1 ZINC000981485596 777497045 /nfs/dbraw/zinc/49/70/45/777497045.db2.gz FHKZKYYVSSFDSQ-RHSMWYFYSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)CO1 ZINC000981485596 777497053 /nfs/dbraw/zinc/49/70/53/777497053.db2.gz FHKZKYYVSSFDSQ-RHSMWYFYSA-N 1 2 345.418 2.157 20 30 EEEDLO CO[C@H]1CC[C@@H](C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)C1 ZINC000981500796 777528921 /nfs/dbraw/zinc/52/89/21/777528921.db2.gz ZLWBPRGIDYLEHR-UXHICEINSA-N 1 2 340.467 2.388 20 30 EEEDLO CO[C@H]1CC[C@@H](C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)C1 ZINC000981500796 777528926 /nfs/dbraw/zinc/52/89/26/777528926.db2.gz ZLWBPRGIDYLEHR-UXHICEINSA-N 1 2 340.467 2.388 20 30 EEEDLO Cc1n[nH]cc1C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000981725481 778101003 /nfs/dbraw/zinc/10/10/03/778101003.db2.gz SNZQFBGARRXYHF-UHFFFAOYSA-N 1 2 341.390 2.077 20 30 EEEDLO Cc1n[nH]cc1C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000981725481 778101006 /nfs/dbraw/zinc/10/10/06/778101006.db2.gz SNZQFBGARRXYHF-UHFFFAOYSA-N 1 2 341.390 2.077 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000981754297 778140382 /nfs/dbraw/zinc/14/03/82/778140382.db2.gz BVWDBWRQFPQQOV-CALCHBBNSA-N 1 2 349.519 2.237 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000981754297 778140383 /nfs/dbraw/zinc/14/03/83/778140383.db2.gz BVWDBWRQFPQQOV-CALCHBBNSA-N 1 2 349.519 2.237 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnnn1-c1ccccc1 ZINC001028174230 778686296 /nfs/dbraw/zinc/68/62/96/778686296.db2.gz XEEJTAJBXGRODH-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnnn1-c1ccccc1 ZINC001028174230 778686303 /nfs/dbraw/zinc/68/63/03/778686303.db2.gz XEEJTAJBXGRODH-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000981980686 778751735 /nfs/dbraw/zinc/75/17/35/778751735.db2.gz GFRYQYPFOFSTQG-KDOFPFPSSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000981980686 778751738 /nfs/dbraw/zinc/75/17/38/778751738.db2.gz GFRYQYPFOFSTQG-KDOFPFPSSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000981980839 778752701 /nfs/dbraw/zinc/75/27/01/778752701.db2.gz LNXGSUARHYUKOZ-KDOFPFPSSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000981980839 778752708 /nfs/dbraw/zinc/75/27/08/778752708.db2.gz LNXGSUARHYUKOZ-KDOFPFPSSA-N 1 2 345.418 2.157 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)C(C)(C)C1 ZINC000940590443 778910922 /nfs/dbraw/zinc/91/09/22/778910922.db2.gz MEVIRACKRLLCTC-GFCCVEGCSA-N 1 2 341.253 2.149 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)C(C)(C)C1 ZINC000940590443 778910928 /nfs/dbraw/zinc/91/09/28/778910928.db2.gz MEVIRACKRLLCTC-GFCCVEGCSA-N 1 2 341.253 2.149 20 30 EEEDLO Cc1conc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001028247689 779629631 /nfs/dbraw/zinc/62/96/31/779629631.db2.gz UKAHWZGERNGSIK-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1conc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001028247689 779629637 /nfs/dbraw/zinc/62/96/37/779629637.db2.gz UKAHWZGERNGSIK-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO C#Cc1cncc(C(=O)NCC2C[NH+](Cc3nc4ccccc4o3)C2)c1 ZINC001031965757 780881168 /nfs/dbraw/zinc/88/11/68/780881168.db2.gz SWEBMRQYOSEWFB-UHFFFAOYSA-N 1 2 346.390 2.066 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001087459183 780913751 /nfs/dbraw/zinc/91/37/51/780913751.db2.gz RQZVDMZWZGSFKT-HZPDHXFCSA-N 1 2 343.406 2.108 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001087459183 780913754 /nfs/dbraw/zinc/91/37/54/780913754.db2.gz RQZVDMZWZGSFKT-HZPDHXFCSA-N 1 2 343.406 2.108 20 30 EEEDLO C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001087459183 780913760 /nfs/dbraw/zinc/91/37/60/780913760.db2.gz RQZVDMZWZGSFKT-HZPDHXFCSA-N 1 2 343.406 2.108 20 30 EEEDLO C=C(C)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001087459183 780913764 /nfs/dbraw/zinc/91/37/64/780913764.db2.gz RQZVDMZWZGSFKT-HZPDHXFCSA-N 1 2 343.406 2.108 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001031968223 780978663 /nfs/dbraw/zinc/97/86/63/780978663.db2.gz RLCURMBMHLMWQR-UHFFFAOYSA-N 1 2 345.353 2.081 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001075780876 781514901 /nfs/dbraw/zinc/51/49/01/781514901.db2.gz ZGDKPLMVAIKPLU-DOTOQJQBSA-N 1 2 327.428 2.244 20 30 EEEDLO CC(C)c1ocnc1C[N@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001075780876 781514904 /nfs/dbraw/zinc/51/49/04/781514904.db2.gz ZGDKPLMVAIKPLU-DOTOQJQBSA-N 1 2 327.428 2.244 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1OC ZINC001212348804 781823206 /nfs/dbraw/zinc/82/32/06/781823206.db2.gz AXCDQUFWHLTITI-IAGOWNOFSA-N 1 2 333.432 2.224 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(C3CC3)no2)C[C@H]1OC ZINC001212348804 781823212 /nfs/dbraw/zinc/82/32/12/781823212.db2.gz AXCDQUFWHLTITI-IAGOWNOFSA-N 1 2 333.432 2.224 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001091453943 790914602 /nfs/dbraw/zinc/91/46/02/790914602.db2.gz RMISGZVRQYJDMR-ZXYWRSMDSA-N 1 2 344.459 2.296 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c(C)nn(C)c2Cl)C1 ZINC001033310728 783473923 /nfs/dbraw/zinc/47/39/23/783473923.db2.gz ZKQJRCUANIMPHT-NSHDSACASA-N 1 2 331.247 2.281 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c(C)nn(C)c2Cl)C1 ZINC001033310728 783473928 /nfs/dbraw/zinc/47/39/28/783473928.db2.gz ZKQJRCUANIMPHT-NSHDSACASA-N 1 2 331.247 2.281 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H]1C[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001091496174 790979801 /nfs/dbraw/zinc/97/98/01/790979801.db2.gz XHJOFJWYRLNZEX-HDJSIYSDSA-N 1 2 341.390 2.291 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC2(CC[N@@H+]([C@H](C)c3csnn3)C2)CC1 ZINC001035169794 783970865 /nfs/dbraw/zinc/97/08/65/783970865.db2.gz HXCJPNTYAOLWGE-CHWSQXEVSA-N 1 2 333.461 2.073 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC2(CC[N@H+]([C@H](C)c3csnn3)C2)CC1 ZINC001035169794 783970868 /nfs/dbraw/zinc/97/08/68/783970868.db2.gz HXCJPNTYAOLWGE-CHWSQXEVSA-N 1 2 333.461 2.073 20 30 EEEDLO C=CCCC(=O)N1CCC(OC2C[NH+](CCc3ccns3)C2)CC1 ZINC001105697361 784255168 /nfs/dbraw/zinc/25/51/68/784255168.db2.gz VESJDERXWGZYAZ-UHFFFAOYSA-N 1 2 349.500 2.344 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(F)c(C(F)F)c2)C1 ZINC001035368566 784383157 /nfs/dbraw/zinc/38/31/57/784383157.db2.gz SYTAUYFRULNQNS-GFCCVEGCSA-N 1 2 328.334 2.380 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(F)c(C(F)F)c2)C1 ZINC001035368566 784383162 /nfs/dbraw/zinc/38/31/62/784383162.db2.gz SYTAUYFRULNQNS-GFCCVEGCSA-N 1 2 328.334 2.380 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ocnc2-c2ccccc2)C1 ZINC001035391517 784431941 /nfs/dbraw/zinc/43/19/41/784431941.db2.gz OUOIOGDHDLFPHH-INIZCTEOSA-N 1 2 341.411 2.348 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ocnc2-c2ccccc2)C1 ZINC001035391517 784431949 /nfs/dbraw/zinc/43/19/49/784431949.db2.gz OUOIOGDHDLFPHH-INIZCTEOSA-N 1 2 341.411 2.348 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C(F)F)nc2)C1 ZINC001035394916 784438851 /nfs/dbraw/zinc/43/88/51/784438851.db2.gz OOWHPNOWTQMJKA-CYBMUJFWSA-N 1 2 325.359 2.026 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C(F)F)nc2)C1 ZINC001035394916 784438855 /nfs/dbraw/zinc/43/88/55/784438855.db2.gz OOWHPNOWTQMJKA-CYBMUJFWSA-N 1 2 325.359 2.026 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C)nn2C(CC)CC)C1 ZINC001035425084 784469019 /nfs/dbraw/zinc/46/90/19/784469019.db2.gz UETXBHJHPFYWJN-MRXNPFEDSA-N 1 2 334.464 2.169 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc(C)nn2C(CC)CC)C1 ZINC001035425084 784469028 /nfs/dbraw/zinc/46/90/28/784469028.db2.gz UETXBHJHPFYWJN-MRXNPFEDSA-N 1 2 334.464 2.169 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)c(C)c2)[C@@H](O)C1 ZINC001090525032 784496164 /nfs/dbraw/zinc/49/61/64/784496164.db2.gz JQBISLKSTNLRLU-CABCVRRESA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)c(C)c2)[C@@H](O)C1 ZINC001090525032 784496169 /nfs/dbraw/zinc/49/61/69/784496169.db2.gz JQBISLKSTNLRLU-CABCVRRESA-N 1 2 326.799 2.052 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001035461955 784583080 /nfs/dbraw/zinc/58/30/80/784583080.db2.gz VEUQREUJPDGWCM-CYBMUJFWSA-N 1 2 340.855 2.124 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001035461955 784583088 /nfs/dbraw/zinc/58/30/88/784583088.db2.gz VEUQREUJPDGWCM-CYBMUJFWSA-N 1 2 340.855 2.124 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c(Cl)cncc2Cl)C1 ZINC001035493873 784626787 /nfs/dbraw/zinc/62/67/87/784626787.db2.gz PQZWOHZSTLEETG-NSHDSACASA-N 1 2 344.242 2.395 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c(Cl)cncc2Cl)C1 ZINC001035493873 784626796 /nfs/dbraw/zinc/62/67/96/784626796.db2.gz PQZWOHZSTLEETG-NSHDSACASA-N 1 2 344.242 2.395 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnc3ccccc3c2)C1 ZINC001035524020 784668537 /nfs/dbraw/zinc/66/85/37/784668537.db2.gz YXOIFXHRVNEGSM-KRWDZBQOSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnc3ccccc3c2)C1 ZINC001035524020 784668541 /nfs/dbraw/zinc/66/85/41/784668541.db2.gz YXOIFXHRVNEGSM-KRWDZBQOSA-N 1 2 325.412 2.242 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cnc(CC(C)(C)C)s2)C1 ZINC001035569450 784701463 /nfs/dbraw/zinc/70/14/63/784701463.db2.gz GKMDPRNEJNRWCE-CQSZACIVSA-N 1 2 349.500 2.186 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cnc(CC(C)(C)C)s2)C1 ZINC001035569450 784701470 /nfs/dbraw/zinc/70/14/70/784701470.db2.gz GKMDPRNEJNRWCE-CQSZACIVSA-N 1 2 349.500 2.186 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(-c3ccccc3)ccn2)C1 ZINC001035558826 784731102 /nfs/dbraw/zinc/73/11/02/784731102.db2.gz QSZUOHTZPRSZFR-IBGZPJMESA-N 1 2 349.434 2.203 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(-c3ccccc3)ccn2)C1 ZINC001035558826 784731105 /nfs/dbraw/zinc/73/11/05/784731105.db2.gz QSZUOHTZPRSZFR-IBGZPJMESA-N 1 2 349.434 2.203 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C(F)(F)F)ccn2)C1 ZINC001035564366 784742075 /nfs/dbraw/zinc/74/20/75/784742075.db2.gz PCUOTKXPYUUYSV-ZDUSSCGKSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(C(F)(F)F)ccn2)C1 ZINC001035564366 784742082 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C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2cnc(C)nc2)cc1 ZINC001085757557 801199117 /nfs/dbraw/zinc/19/91/17/801199117.db2.gz KIIAKKHYINPCBQ-LJQANCHMSA-N 1 2 334.423 2.113 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2Cc2cnc(C)nc2)cc1 ZINC001085757557 801199121 /nfs/dbraw/zinc/19/91/21/801199121.db2.gz KIIAKKHYINPCBQ-LJQANCHMSA-N 1 2 334.423 2.113 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001108208792 801265298 /nfs/dbraw/zinc/26/52/98/801265298.db2.gz FLGYTWRDXYOCRB-HXUWFJFHSA-N 1 2 341.455 2.070 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001108208792 801265304 /nfs/dbraw/zinc/26/53/04/801265304.db2.gz FLGYTWRDXYOCRB-HXUWFJFHSA-N 1 2 341.455 2.070 20 30 EEEDLO CC(C)C#CC(=O)N[C@H](C)CCCCNc1[nH+]cnc2c1cnn2C ZINC001090086933 801378811 /nfs/dbraw/zinc/37/88/11/801378811.db2.gz MZFVPDSSPBLQSP-CQSZACIVSA-N 1 2 342.447 2.110 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001085830655 801388121 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/nfs/dbraw/zinc/11/35/73/247113573.db2.gz SRPLBJODULCLGU-CYBMUJFWSA-N 1 2 341.415 2.464 20 30 EEEDLO CCOC(=O)N[C@H]1CCC[N@H+](Cn2nc(C#N)c3ccccc32)C1 ZINC000495250460 247100475 /nfs/dbraw/zinc/10/04/75/247100475.db2.gz IKPOIVQTFJGJAQ-ZDUSSCGKSA-N 1 2 327.388 2.076 20 30 EEEDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cn2nc(C#N)c3ccccc32)C1 ZINC000495250460 247100479 /nfs/dbraw/zinc/10/04/79/247100479.db2.gz IKPOIVQTFJGJAQ-ZDUSSCGKSA-N 1 2 327.388 2.076 20 30 EEEDLO CC(C)C(=O)N1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000112649464 220364276 /nfs/dbraw/zinc/36/42/76/220364276.db2.gz BAHIZBHRWNOWJA-OAHLLOKOSA-N 1 2 342.443 2.076 20 30 EEEDLO CC(C)C(=O)N1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000112649464 220364279 /nfs/dbraw/zinc/36/42/79/220364279.db2.gz BAHIZBHRWNOWJA-OAHLLOKOSA-N 1 2 342.443 2.076 20 30 EEEDLO C#CCN(CC#CC)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000490695683 533122645 /nfs/dbraw/zinc/12/26/45/533122645.db2.gz FHUQXRGLRRNAHK-KRWDZBQOSA-N 1 2 338.386 2.317 20 30 EEEDLO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352262313 153029216 /nfs/dbraw/zinc/02/92/16/153029216.db2.gz FXMVKBKNEPEQSY-POJUEXTFSA-N 1 2 325.343 2.336 20 30 EEEDLO N#Cc1ccc(OC2CN(C(=O)Cc3cn4ccccc4[nH+]3)C2)cc1 ZINC000130803933 159550253 /nfs/dbraw/zinc/55/02/53/159550253.db2.gz VDNLNJHHDZXOKW-UHFFFAOYSA-N 1 2 332.363 2.038 20 30 EEEDLO N#Cc1ccnc(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000342130779 161042019 /nfs/dbraw/zinc/04/20/19/161042019.db2.gz GSQKRFBDMNZFKJ-UHFFFAOYSA-N 1 2 341.459 2.090 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)o1 ZINC000342439140 161065609 /nfs/dbraw/zinc/06/56/09/161065609.db2.gz XUOIVZJYKMDQSQ-UHFFFAOYSA-N 1 2 331.275 2.304 20 30 EEEDLO C[C@H](C(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1)c1cccc(C#N)c1 ZINC000360720753 164369071 /nfs/dbraw/zinc/36/90/71/164369071.db2.gz ZSKIFQLBBIKWTF-OWQGQXMQSA-N 1 2 338.411 2.432 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(OCC)no2)[C@H]1CC ZINC001087660654 782030594 /nfs/dbraw/zinc/03/05/94/782030594.db2.gz WSMBWYAKOZMGQB-NWDGAFQWSA-N 1 2 327.812 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(OCC)no2)[C@H]1CC ZINC001087660654 782030601 /nfs/dbraw/zinc/03/06/01/782030601.db2.gz WSMBWYAKOZMGQB-NWDGAFQWSA-N 1 2 327.812 2.409 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3cscn3)CC2)cc1 ZINC000299362322 270018653 /nfs/dbraw/zinc/01/86/53/270018653.db2.gz KDYHVVSBEFTVBY-UHFFFAOYSA-N 1 2 340.452 2.292 20 30 EEEDLO CC[C@@H](C(=O)N1CCc2c1cccc2C#N)[N@@H+]1CCO[C@H](CC)C1 ZINC000332238059 266350351 /nfs/dbraw/zinc/35/03/51/266350351.db2.gz HPXSMGMSQCDCQK-WBVHZDCISA-N 1 2 327.428 2.337 20 30 EEEDLO CC[C@@H](C(=O)N1CCc2c1cccc2C#N)[N@H+]1CCO[C@H](CC)C1 ZINC000332238059 266350355 /nfs/dbraw/zinc/35/03/55/266350355.db2.gz HPXSMGMSQCDCQK-WBVHZDCISA-N 1 2 327.428 2.337 20 30 EEEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000288629519 266952450 /nfs/dbraw/zinc/95/24/50/266952450.db2.gz NRMBJOJTUREOHA-GFCCVEGCSA-N 1 2 340.349 2.336 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247017982 267307818 /nfs/dbraw/zinc/30/78/18/267307818.db2.gz DHLWNVJVUVFBGW-CJNGLKHVSA-N 1 2 344.440 2.335 20 30 EEEDLO Cc1onc(CC(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1C#N ZINC000332172927 267749205 /nfs/dbraw/zinc/74/92/05/267749205.db2.gz QLIXXLWKJGOWTB-LBPRGKRZSA-N 1 2 341.415 2.022 20 30 EEEDLO Cc1ccc([C@H]2COCC[N@@H+]2C[C@@H](O)COc2ccccc2C#N)o1 ZINC000528385071 268045913 /nfs/dbraw/zinc/04/59/13/268045913.db2.gz VVZYDJWNTKKOKD-IAGOWNOFSA-N 1 2 342.395 2.273 20 30 EEEDLO Cc1ccc([C@H]2COCC[N@H+]2C[C@@H](O)COc2ccccc2C#N)o1 ZINC000528385071 268045914 /nfs/dbraw/zinc/04/59/14/268045914.db2.gz VVZYDJWNTKKOKD-IAGOWNOFSA-N 1 2 342.395 2.273 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccn3)CC2)c(OC(F)F)c1 ZINC000437392073 268221278 /nfs/dbraw/zinc/22/12/78/268221278.db2.gz CMNCGWFOWLUPQL-UHFFFAOYSA-N 1 2 345.353 2.272 20 30 EEEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000420883270 268227863 /nfs/dbraw/zinc/22/78/63/268227863.db2.gz HUSMVDAJZKOHSK-UHFFFAOYSA-N 1 2 341.440 2.042 20 30 EEEDLO Cc1cccc(CNC(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000111214038 273967098 /nfs/dbraw/zinc/96/70/98/273967098.db2.gz XIPZMISODXOMAU-UHFFFAOYSA-N 1 2 348.450 2.305 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ncoc3C3CC3)CC2)cc1 ZINC000292766753 275476462 /nfs/dbraw/zinc/47/64/62/275476462.db2.gz XDVAVVYZFZGNCY-UHFFFAOYSA-N 1 2 336.395 2.382 20 30 EEEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(COc3ccccc3C#N)n2)C1 ZINC000349849319 312309815 /nfs/dbraw/zinc/30/98/15/312309815.db2.gz JXQNWDITSURNQI-HNNXBMFYSA-N 1 2 328.372 2.302 20 30 EEEDLO CC(C)[N@H+]1CCO[C@H](c2noc(COc3ccccc3C#N)n2)C1 ZINC000349849319 312309817 /nfs/dbraw/zinc/30/98/17/312309817.db2.gz JXQNWDITSURNQI-HNNXBMFYSA-N 1 2 328.372 2.302 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2CCOC3(CCOCC3)CC2)c1C#N ZINC000545984364 318238052 /nfs/dbraw/zinc/23/80/52/318238052.db2.gz NJJDCBBCMXKECW-UHFFFAOYSA-N 1 2 344.411 2.116 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2CCOC3(CCOCC3)CC2)c1C#N ZINC000545984364 318238053 /nfs/dbraw/zinc/23/80/53/318238053.db2.gz NJJDCBBCMXKECW-UHFFFAOYSA-N 1 2 344.411 2.116 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)C1CC1 ZINC000565757049 319210399 /nfs/dbraw/zinc/21/03/99/319210399.db2.gz XMTAMHRWZXJWJR-HNNXBMFYSA-N 1 2 348.403 2.002 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2ccc(C#N)cc2F)CC1(C)C ZINC000569071694 319542433 /nfs/dbraw/zinc/54/24/33/319542433.db2.gz JSQDECJPSWGOOR-CQSZACIVSA-N 1 2 348.403 2.203 20 30 EEEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000181775768 323356052 /nfs/dbraw/zinc/35/60/52/323356052.db2.gz DEQWWIFEMVWDOG-KRWDZBQOSA-N 1 2 344.436 2.442 20 30 EEEDLO Cc1ccc([C@@H](CNc2ccc(C#N)c(N)n2)[NH+]2CCOCC2)cc1 ZINC000521461050 448989788 /nfs/dbraw/zinc/98/97/88/448989788.db2.gz SNTSCRDCOHKYLT-QGZVFWFLSA-N 1 2 337.427 2.329 20 30 EEEDLO CN(CCOc1ccc(Cl)cc1)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000060893617 462568824 /nfs/dbraw/zinc/56/88/24/462568824.db2.gz SYVJOLWHCLKWEI-UHFFFAOYSA-N 1 2 335.835 2.413 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+](CCO)Cc2cccnc2)c1C ZINC000152343552 463678336 /nfs/dbraw/zinc/67/83/36/463678336.db2.gz VQPCAOCVXHAPHQ-UHFFFAOYSA-N 1 2 327.428 2.363 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](CCO)Cc2cccnc2)c1C ZINC000152343552 463678340 /nfs/dbraw/zinc/67/83/40/463678340.db2.gz VQPCAOCVXHAPHQ-UHFFFAOYSA-N 1 2 327.428 2.363 20 30 EEEDLO CC(C)c1nnc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000263805536 464198165 /nfs/dbraw/zinc/19/81/65/464198165.db2.gz VQBQXXSSFBMRJP-UHFFFAOYSA-N 1 2 325.416 2.382 20 30 EEEDLO Cn1ncc2c1CCC[C@@H]2NC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328598656 465065446 /nfs/dbraw/zinc/06/54/46/465065446.db2.gz BIVVAOPCIBBJHH-JSGCOSHPSA-N 1 2 328.420 2.075 20 30 EEEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000328951030 465179937 /nfs/dbraw/zinc/17/99/37/465179937.db2.gz HRJFHLIQFZSEPC-KYHPRHEASA-N 1 2 335.448 2.151 20 30 EEEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000328951030 465179940 /nfs/dbraw/zinc/17/99/40/465179940.db2.gz HRJFHLIQFZSEPC-KYHPRHEASA-N 1 2 335.448 2.151 20 30 EEEDLO C=C(C)CN(CC)C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000347718973 465186656 /nfs/dbraw/zinc/18/66/56/465186656.db2.gz FZPWRHBUTSRMTF-UHFFFAOYSA-N 1 2 338.473 2.060 20 30 EEEDLO CCc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)s1 ZINC000328977062 465190145 /nfs/dbraw/zinc/19/01/45/465190145.db2.gz QISZLYJPYTXBPQ-KGLIPLIRSA-N 1 2 336.461 2.069 20 30 EEEDLO CCc1ccc(CNC(=O)C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)s1 ZINC000328977062 465190154 /nfs/dbraw/zinc/19/01/54/465190154.db2.gz QISZLYJPYTXBPQ-KGLIPLIRSA-N 1 2 336.461 2.069 20 30 EEEDLO CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000329094525 465231215 /nfs/dbraw/zinc/23/12/15/465231215.db2.gz XQEWSYLIHPFNOK-ROUUACIJSA-N 1 2 346.475 2.174 20 30 EEEDLO C=CCN1CC[C@@H]([NH2+][C@H](C)c2nc(-c3ccccc3OC)no2)C1=O ZINC000337214887 465247471 /nfs/dbraw/zinc/24/74/71/465247471.db2.gz XWCHNHKFVFSNMT-TZMCWYRMSA-N 1 2 342.399 2.183 20 30 EEEDLO C=CC[C@H](CO)CNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000341847496 465268279 /nfs/dbraw/zinc/26/82/79/465268279.db2.gz XRZXRXZVAFMVOD-SWLSCSKDSA-N 1 2 341.402 2.051 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)N[C@@H](C)c2ccccc2OC)CC1 ZINC000341989154 465282268 /nfs/dbraw/zinc/28/22/68/465282268.db2.gz JLUPCBLTCMFTSB-HNNXBMFYSA-N 1 2 345.443 2.125 20 30 EEEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC3CCCCC3)ccn2)CC1 ZINC000329285736 465288293 /nfs/dbraw/zinc/28/82/93/465288293.db2.gz OKNGCZILPLHJEZ-UHFFFAOYSA-N 1 2 345.447 2.128 20 30 EEEDLO CCN(C(=O)NCC[N@@H+]1CCOCC1(C)C)[C@H]1CCOC(C)(C)C1 ZINC000329621553 465390450 /nfs/dbraw/zinc/39/04/50/465390450.db2.gz RNJAFCTXSLWOMK-HNNXBMFYSA-N 1 2 341.496 2.291 20 30 EEEDLO CCN(C(=O)NCC[N@H+]1CCOCC1(C)C)[C@H]1CCOC(C)(C)C1 ZINC000329621553 465390452 /nfs/dbraw/zinc/39/04/52/465390452.db2.gz RNJAFCTXSLWOMK-HNNXBMFYSA-N 1 2 341.496 2.291 20 30 EEEDLO CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000128530315 462649529 /nfs/dbraw/zinc/64/95/29/462649529.db2.gz QECFMFOZPOEBHD-GFCCVEGCSA-N 1 2 339.399 2.198 20 30 EEEDLO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000074917440 462652718 /nfs/dbraw/zinc/65/27/18/462652718.db2.gz YNIPRKDYHLYVNU-MAUKXSAKSA-N 1 2 342.443 2.125 20 30 EEEDLO C=CCc1ccc(OCC(=O)NC[C@@H](C)Cn2cc[nH+]c2)c(OC)c1 ZINC000153514363 462659876 /nfs/dbraw/zinc/65/98/76/462659876.db2.gz OUYUWQPSCXOHRK-OAHLLOKOSA-N 1 2 343.427 2.452 20 30 EEEDLO CC[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@@H](C)[S@]1=O ZINC000552178416 468314790 /nfs/dbraw/zinc/31/47/90/468314790.db2.gz HJBDURWYCZTLRV-WBVVSNMSSA-N 1 2 339.486 2.180 20 30 EEEDLO CC[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@@H](C)[S@]1=O ZINC000552178416 468314795 /nfs/dbraw/zinc/31/47/95/468314795.db2.gz HJBDURWYCZTLRV-WBVVSNMSSA-N 1 2 339.486 2.180 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091084224 462833363 /nfs/dbraw/zinc/83/33/63/462833363.db2.gz GOCAVAHKHYQFMC-ZDUSSCGKSA-N 1 2 336.386 2.158 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(CC(F)F)CC1 ZINC000091084224 462833371 /nfs/dbraw/zinc/83/33/71/462833371.db2.gz GOCAVAHKHYQFMC-ZDUSSCGKSA-N 1 2 336.386 2.158 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCCCOc2ccc3c(c2)OCO3)cs1 ZINC000066373887 462882073 /nfs/dbraw/zinc/88/20/73/462882073.db2.gz XETGFRANWSVLLU-UHFFFAOYSA-N 1 2 349.412 2.481 20 30 EEEDLO Cc1cc(CN2CC[NH+](CCOc3cccc(C#N)c3)CC2)on1 ZINC000051154081 463023665 /nfs/dbraw/zinc/02/36/65/463023665.db2.gz AMTZSXWGRLYHTK-UHFFFAOYSA-N 1 2 326.400 2.051 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000051227051 463026501 /nfs/dbraw/zinc/02/65/01/463026501.db2.gz MTHOKYWJLOGOSY-INIZCTEOSA-N 1 2 342.487 2.434 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc(OC)cc1OC ZINC000051454804 463037577 /nfs/dbraw/zinc/03/75/77/463037577.db2.gz HJGIZQNRYHQPJF-CQSZACIVSA-N 1 2 333.432 2.144 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000051454804 463037582 /nfs/dbraw/zinc/03/75/82/463037582.db2.gz HJGIZQNRYHQPJF-CQSZACIVSA-N 1 2 333.432 2.144 20 30 EEEDLO C=C(Cl)CNC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000077790261 463049024 /nfs/dbraw/zinc/04/90/24/463049024.db2.gz UMAHODBCBORJAS-INIZCTEOSA-N 1 2 337.851 2.420 20 30 EEEDLO N#Cc1ccccc1S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000156733178 463062478 /nfs/dbraw/zinc/06/24/78/463062478.db2.gz UZYJZIXMNFXGJB-UHFFFAOYSA-N 1 2 338.392 2.222 20 30 EEEDLO CCc1ccc([C@H](C)C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000068124553 463096319 /nfs/dbraw/zinc/09/63/19/463096319.db2.gz QCXYFMRHQLNIEA-KRWDZBQOSA-N 1 2 343.471 2.427 20 30 EEEDLO CC(C)(C#N)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000121230270 463100773 /nfs/dbraw/zinc/10/07/73/463100773.db2.gz IEHIBUPKTIUPAJ-UHFFFAOYSA-N 1 2 334.851 2.128 20 30 EEEDLO N#Cc1cc(Cl)ccc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000068428422 463134228 /nfs/dbraw/zinc/13/42/28/463134228.db2.gz XQADSCUNHUBGRZ-UHFFFAOYSA-N 1 2 346.862 2.346 20 30 EEEDLO C=CCOCCCC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000079658209 463238644 /nfs/dbraw/zinc/23/86/44/463238644.db2.gz GVEJJLHAXONJPJ-IBGZPJMESA-N 1 2 346.471 2.467 20 30 EEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000158797632 463252355 /nfs/dbraw/zinc/25/23/55/463252355.db2.gz BIBYAZPCLSOHMS-FPOVZHCZSA-N 1 2 347.418 2.259 20 30 EEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000158797632 463252358 /nfs/dbraw/zinc/25/23/58/463252358.db2.gz BIBYAZPCLSOHMS-FPOVZHCZSA-N 1 2 347.418 2.259 20 30 EEEDLO C=CCCOCCNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000122348107 463257485 /nfs/dbraw/zinc/25/74/85/463257485.db2.gz INQXRYPAIMTMGS-UHFFFAOYSA-N 1 2 333.432 2.233 20 30 EEEDLO CC(C)(C)OCCCCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000522013226 468350087 /nfs/dbraw/zinc/35/00/87/468350087.db2.gz CXDBXTFGGVLKJM-UHFFFAOYSA-N 1 2 347.459 2.147 20 30 EEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000122912581 463301395 /nfs/dbraw/zinc/30/13/95/463301395.db2.gz YNYXDXFOLOUQDZ-UHFFFAOYSA-N 1 2 334.851 2.224 20 30 EEEDLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000139096839 463317679 /nfs/dbraw/zinc/31/76/79/463317679.db2.gz NOJKEHGCIQMZMP-KGLIPLIRSA-N 1 2 347.440 2.000 20 30 EEEDLO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000139096839 463317682 /nfs/dbraw/zinc/31/76/82/463317682.db2.gz NOJKEHGCIQMZMP-KGLIPLIRSA-N 1 2 347.440 2.000 20 30 EEEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000151248792 463500558 /nfs/dbraw/zinc/50/05/58/463500558.db2.gz XYHFXEFKNNWYCR-DOMZBBRYSA-N 1 2 348.403 2.166 20 30 EEEDLO C[C@H]1CCN(C(=O)Cc2ccc(OCC#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000125330353 463531786 /nfs/dbraw/zinc/53/17/86/463531786.db2.gz MKESOKWGRVHZJG-YJBOKZPZSA-N 1 2 338.411 2.438 20 30 EEEDLO Cc1nc(SCC(=O)N(C)Cc2[nH+]ccn2C)c(C#N)c(C)c1C ZINC000072781781 463544327 /nfs/dbraw/zinc/54/43/27/463544327.db2.gz VELNQWREKNHTHC-UHFFFAOYSA-N 1 2 343.456 2.363 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC3(O)CCCCC3)CC2)cc1 ZINC000072813309 463547172 /nfs/dbraw/zinc/54/71/72/463547172.db2.gz GUVUJMWQJFCUCE-UHFFFAOYSA-N 1 2 341.455 2.288 20 30 EEEDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)[C@@H](C)C(=O)N(C)CCC#N ZINC000163370929 463584329 /nfs/dbraw/zinc/58/43/29/463584329.db2.gz YJCWNFRYZQCVGH-INIZCTEOSA-N 1 2 344.459 2.324 20 30 EEEDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)[C@@H](C)C(=O)N(C)CCC#N ZINC000163370929 463584323 /nfs/dbraw/zinc/58/43/23/463584323.db2.gz YJCWNFRYZQCVGH-INIZCTEOSA-N 1 2 344.459 2.324 20 30 EEEDLO CC(C)COCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042884096 463603837 /nfs/dbraw/zinc/60/38/37/463603837.db2.gz MPFAQKFYHGCIDA-UHFFFAOYSA-N 1 2 329.444 2.265 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000042976056 463609575 /nfs/dbraw/zinc/60/95/75/463609575.db2.gz YNKPIVLQZNBIEJ-UHFFFAOYSA-N 1 2 330.428 2.263 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000042976056 463609578 /nfs/dbraw/zinc/60/95/78/463609578.db2.gz YNKPIVLQZNBIEJ-UHFFFAOYSA-N 1 2 330.428 2.263 20 30 EEEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)NC2CCC(C)CC2)cc1 ZINC000178140644 463851097 /nfs/dbraw/zinc/85/10/97/463851097.db2.gz IBCHZXLJSGGIIR-JVWICGRDSA-N 1 2 333.432 2.416 20 30 EEEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523121297 468385440 /nfs/dbraw/zinc/38/54/40/468385440.db2.gz PGJDRBXUXDAMJO-UHFFFAOYSA-N 1 2 344.378 2.362 20 30 EEEDLO C=C(CNC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1)c1ccccc1 ZINC000287926612 464024944 /nfs/dbraw/zinc/02/49/44/464024944.db2.gz DIQQGQWFRAFRDO-LJQANCHMSA-N 1 2 342.487 2.121 20 30 EEEDLO Cc1cnn(C)c1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000289388325 464077268 /nfs/dbraw/zinc/07/72/68/464077268.db2.gz QSBKLJAAMGDBAJ-UHFFFAOYSA-N 1 2 346.438 2.471 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000172563210 464106159 /nfs/dbraw/zinc/10/61/59/464106159.db2.gz NMPRVJATFDLTBM-OAHLLOKOSA-N 1 2 348.878 2.446 20 30 EEEDLO CC(C)N(C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1)C(C)C ZINC000263661402 464144029 /nfs/dbraw/zinc/14/40/29/464144029.db2.gz DQQWJHJUTBNLAQ-UHFFFAOYSA-N 1 2 328.460 2.326 20 30 EEEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000180094016 464240047 /nfs/dbraw/zinc/24/00/47/464240047.db2.gz BCEGQGICAGIUPU-RBSFLKMASA-N 1 2 346.431 2.208 20 30 EEEDLO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000188595785 464319695 /nfs/dbraw/zinc/31/96/95/464319695.db2.gz PUNHHZHVIVCJIC-UHFFFAOYSA-N 1 2 338.367 2.016 20 30 EEEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(N)nc(Nc2ccccc2OC)n1 ZINC000298644988 465458408 /nfs/dbraw/zinc/45/84/08/465458408.db2.gz XBFROUQNRBNJCA-UHFFFAOYSA-N 1 2 326.404 2.050 20 30 EEEDLO C#CC(C)(C)[N@H+](C)Cc1nc(N)nc(Nc2ccccc2OC)n1 ZINC000298644988 465458411 /nfs/dbraw/zinc/45/84/11/465458411.db2.gz XBFROUQNRBNJCA-UHFFFAOYSA-N 1 2 326.404 2.050 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2cccc(SC)c2)C1=O ZINC000281397238 464439408 /nfs/dbraw/zinc/43/94/08/464439408.db2.gz QEALJMMRWICXRL-CZUORRHYSA-N 1 2 347.484 2.454 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2cccc(SC)c2)C1=O ZINC000281397238 464439413 /nfs/dbraw/zinc/43/94/13/464439413.db2.gz QEALJMMRWICXRL-CZUORRHYSA-N 1 2 347.484 2.454 20 30 EEEDLO C=CCNC(=O)C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000181132011 464449076 /nfs/dbraw/zinc/44/90/76/464449076.db2.gz ZKDBEEHSVVIDKZ-UHFFFAOYSA-N 1 2 349.232 2.231 20 30 EEEDLO N#Cc1c(F)cccc1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000190109172 464597291 /nfs/dbraw/zinc/59/72/91/464597291.db2.gz HCABHGYOLJFDOS-UHFFFAOYSA-N 1 2 339.370 2.361 20 30 EEEDLO Cc1noc([C@@H]2CCCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)n1 ZINC000285628019 464633971 /nfs/dbraw/zinc/63/39/71/464633971.db2.gz LDRZRDOYUMTFHQ-RDJZCZTQSA-N 1 2 342.399 2.217 20 30 EEEDLO Cc1noc([C@@H]2CCCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)n1 ZINC000285628019 464633975 /nfs/dbraw/zinc/63/39/75/464633975.db2.gz LDRZRDOYUMTFHQ-RDJZCZTQSA-N 1 2 342.399 2.217 20 30 EEEDLO CN1CC[NH+]([C@H](C(=O)N2CCC(C)(C#N)CC2)c2ccccc2)CC1 ZINC000272557352 464657913 /nfs/dbraw/zinc/65/79/13/464657913.db2.gz SKFGLTQWZBFQBQ-SFHVURJKSA-N 1 2 340.471 2.127 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)C1=O ZINC000282122680 464704796 /nfs/dbraw/zinc/70/47/96/464704796.db2.gz XXFHMISRJXYSLH-MRXNPFEDSA-N 1 2 329.444 2.269 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)C1=O ZINC000282122680 464704803 /nfs/dbraw/zinc/70/48/03/464704803.db2.gz XXFHMISRJXYSLH-MRXNPFEDSA-N 1 2 329.444 2.269 20 30 EEEDLO N#CC1(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000265899950 464725137 /nfs/dbraw/zinc/72/51/37/464725137.db2.gz NIQORTTZCMAYFA-QGZVFWFLSA-N 1 2 327.428 2.230 20 30 EEEDLO N#CC1(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000265899950 464725138 /nfs/dbraw/zinc/72/51/38/464725138.db2.gz NIQORTTZCMAYFA-QGZVFWFLSA-N 1 2 327.428 2.230 20 30 EEEDLO COc1ccc(-c2cncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2)cc1 ZINC000579844542 468422804 /nfs/dbraw/zinc/42/28/04/468422804.db2.gz FDAIXFDWOWYLAM-LJQANCHMSA-N 1 2 338.411 2.331 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000275661119 464784353 /nfs/dbraw/zinc/78/43/53/464784353.db2.gz DWFAHOMHFQCNND-UYAOXDASSA-N 1 2 346.471 2.093 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1ncc(Cl)n1C ZINC000183289956 464842801 /nfs/dbraw/zinc/84/28/01/464842801.db2.gz MSJBKRTXIKBADO-UHFFFAOYSA-N 1 2 334.807 2.465 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1ncc(Cl)n1C ZINC000183289956 464842808 /nfs/dbraw/zinc/84/28/08/464842808.db2.gz MSJBKRTXIKBADO-UHFFFAOYSA-N 1 2 334.807 2.465 20 30 EEEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329949395 465484370 /nfs/dbraw/zinc/48/43/70/465484370.db2.gz ZXWSJULYPXUYFU-XBFCOCLRSA-N 1 2 346.456 2.288 20 30 EEEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329949395 465484378 /nfs/dbraw/zinc/48/43/78/465484378.db2.gz ZXWSJULYPXUYFU-XBFCOCLRSA-N 1 2 346.456 2.288 20 30 EEEDLO C#CC[N@@H+](CC)CC(=O)N(CCC)CC(=O)Nc1ccccc1C ZINC000267285432 464924029 /nfs/dbraw/zinc/92/40/29/464924029.db2.gz IURLVRSUAYMTTO-UHFFFAOYSA-N 1 2 329.444 2.127 20 30 EEEDLO C#CC[N@H+](CC)CC(=O)N(CCC)CC(=O)Nc1ccccc1C ZINC000267285432 464924032 /nfs/dbraw/zinc/92/40/32/464924032.db2.gz IURLVRSUAYMTTO-UHFFFAOYSA-N 1 2 329.444 2.127 20 30 EEEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@@H](C)C(=O)NCCc1cccs1 ZINC000267474550 464933176 /nfs/dbraw/zinc/93/31/76/464933176.db2.gz WLXYAPHNMCGJEW-OLZOCXBDSA-N 1 2 341.477 2.145 20 30 EEEDLO CCn1cc[nH+]c1CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000295756835 464954327 /nfs/dbraw/zinc/95/43/27/464954327.db2.gz VIEZOMRVDJYEBU-AWEZNQCLSA-N 1 2 341.390 2.056 20 30 EEEDLO C=CCCOCCCCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000342611728 465334171 /nfs/dbraw/zinc/33/41/71/465334171.db2.gz CGENZBVVUAPVLW-UHFFFAOYSA-N 1 2 331.460 2.489 20 30 EEEDLO CC[C@@H]1CC[C@H](C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)O1 ZINC000329623558 465389749 /nfs/dbraw/zinc/38/97/49/465389749.db2.gz ABASCOMEJKLRCL-FMKPAKJESA-N 1 2 328.478 2.108 20 30 EEEDLO C=CCn1c(C2CCC2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000554626513 468433207 /nfs/dbraw/zinc/43/32/07/468433207.db2.gz TXJXQQJTMGVZHR-UHFFFAOYSA-N 1 2 338.459 2.449 20 30 EEEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)C3CC(O)C3)n2)C1 ZINC000329791125 465436069 /nfs/dbraw/zinc/43/60/69/465436069.db2.gz UJICIVOLCUJCTI-LMWSTFAQSA-N 1 2 338.477 2.376 20 30 EEEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)C3CC(O)C3)n2)C1 ZINC000329791125 465436079 /nfs/dbraw/zinc/43/60/79/465436079.db2.gz UJICIVOLCUJCTI-LMWSTFAQSA-N 1 2 338.477 2.376 20 30 EEEDLO Cc1coc(-c2cccc(NC(=O)NC[C@@H]3CN(C)CC[N@@H+]3C)c2)n1 ZINC000329830265 465446974 /nfs/dbraw/zinc/44/69/74/465446974.db2.gz FAIIDPMALCBJAJ-MRXNPFEDSA-N 1 2 343.431 2.222 20 30 EEEDLO Cc1coc(-c2cccc(NC(=O)NC[C@@H]3CN(C)CC[N@H+]3C)c2)n1 ZINC000329830265 465446980 /nfs/dbraw/zinc/44/69/80/465446980.db2.gz FAIIDPMALCBJAJ-MRXNPFEDSA-N 1 2 343.431 2.222 20 30 EEEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CCC(OCC2CC2)CC1 ZINC000329891456 465464191 /nfs/dbraw/zinc/46/41/91/465464191.db2.gz HWYKREVLQWMTSH-HNNXBMFYSA-N 1 2 332.448 2.251 20 30 EEEDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000329896201 465466894 /nfs/dbraw/zinc/46/68/94/465466894.db2.gz CIQJZUXMOAIBTL-GDBMZVCRSA-N 1 2 333.480 2.386 20 30 EEEDLO C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000329896201 465466900 /nfs/dbraw/zinc/46/69/00/465466900.db2.gz CIQJZUXMOAIBTL-GDBMZVCRSA-N 1 2 333.480 2.386 20 30 EEEDLO CCN1CCN(C(=O)NCC[C@@H]2CCO[C@H](C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329939289 465480617 /nfs/dbraw/zinc/48/06/17/465480617.db2.gz AYABAYATQGWHLB-BZUAXINKSA-N 1 2 349.479 2.208 20 30 EEEDLO O=C(NC[C@H]1CCc2[nH+]ccn2C1)N1CCOc2ccc(F)cc2C1 ZINC000329972858 465492887 /nfs/dbraw/zinc/49/28/87/465492887.db2.gz YICZBKTWPGWHRD-CYBMUJFWSA-N 1 2 344.390 2.393 20 30 EEEDLO COc1ccccc1[C@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[NH2+]1 ZINC000337666011 465505461 /nfs/dbraw/zinc/50/54/61/465505461.db2.gz SNOKQKYRFVYHPT-MRXNPFEDSA-N 1 2 337.379 2.059 20 30 EEEDLO COc1ccc2c(c1)CCCN2C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352469817 465531908 /nfs/dbraw/zinc/53/19/08/465531908.db2.gz ZKMGOJJNFJBOHJ-UHFFFAOYSA-N 1 2 331.391 2.302 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(OC)cc3c2O[C@H](C)C3)C1=O ZINC000343599992 465534103 /nfs/dbraw/zinc/53/41/03/465534103.db2.gz IRGWAROJHFDAGO-CXAGYDPISA-N 1 2 330.428 2.237 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(OC)cc3c2O[C@H](C)C3)C1=O ZINC000343599992 465534107 /nfs/dbraw/zinc/53/41/07/465534107.db2.gz IRGWAROJHFDAGO-CXAGYDPISA-N 1 2 330.428 2.237 20 30 EEEDLO CCCNC(=O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348332752 465554101 /nfs/dbraw/zinc/55/41/01/465554101.db2.gz VYZDWSNDMIINMN-MRXNPFEDSA-N 1 2 334.851 2.048 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348333412 465555351 /nfs/dbraw/zinc/55/53/51/465555351.db2.gz YTTXDQLAWPABIE-RHSMWYFYSA-N 1 2 346.862 2.213 20 30 EEEDLO CCO[C@@H]1C[C@H]([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)C12CCCC2 ZINC000330190939 465563265 /nfs/dbraw/zinc/56/32/65/465563265.db2.gz MTHKEUHYRQZAHR-SOUVJXGZSA-N 1 2 332.448 2.439 20 30 EEEDLO CCO[C@@H]1C[C@H](NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C12CCCC2 ZINC000330190939 465563267 /nfs/dbraw/zinc/56/32/67/465563267.db2.gz MTHKEUHYRQZAHR-SOUVJXGZSA-N 1 2 332.448 2.439 20 30 EEEDLO O=C(N[C@@H]1CCOC2(CCOCC2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330229256 465577887 /nfs/dbraw/zinc/57/78/87/465577887.db2.gz PZNFYCRWSYRFNE-OAHLLOKOSA-N 1 2 348.447 2.231 20 30 EEEDLO O=C(N[C@@H]1CCOC2(CCOCC2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330229256 465577895 /nfs/dbraw/zinc/57/78/95/465577895.db2.gz PZNFYCRWSYRFNE-OAHLLOKOSA-N 1 2 348.447 2.231 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC([O-])=[NH+][C@H]1CCCC[C@@H]1O)C2 ZINC000330280644 465595773 /nfs/dbraw/zinc/59/57/73/465595773.db2.gz SSUJIKACKZXOPS-RDBSUJKOSA-N 1 2 334.464 2.303 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N[C@H]1CCCC[C@@H]1O)C2 ZINC000330280644 465595779 /nfs/dbraw/zinc/59/57/79/465595779.db2.gz SSUJIKACKZXOPS-RDBSUJKOSA-N 1 2 334.464 2.303 20 30 EEEDLO C=CCSCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000299317522 465694013 /nfs/dbraw/zinc/69/40/13/465694013.db2.gz LDQOSKAKYTYZSI-KRWDZBQOSA-N 1 2 349.500 2.106 20 30 EEEDLO C=CCSCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000299317522 465694020 /nfs/dbraw/zinc/69/40/20/465694020.db2.gz LDQOSKAKYTYZSI-KRWDZBQOSA-N 1 2 349.500 2.106 20 30 EEEDLO Cc1nc(NCc2cccc(C(=O)N(CCC#N)CCC#N)c2)cc[nH+]1 ZINC000348597067 465705927 /nfs/dbraw/zinc/70/59/27/465705927.db2.gz KBHXQWVARYPSNS-UHFFFAOYSA-N 1 2 348.410 2.667 20 30 EEEDLO CC[C@@H]1C[N@H+](CCNC(=O)C[C@@H](CC#N)c2ccccc2)CCO1 ZINC000357108226 465779591 /nfs/dbraw/zinc/77/95/91/465779591.db2.gz MIRMECYPBBNTJG-QZTJIDSGSA-N 1 2 329.444 2.301 20 30 EEEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C[C@@H](CC#N)c2ccccc2)CCO1 ZINC000357108226 465779596 /nfs/dbraw/zinc/77/95/96/465779596.db2.gz MIRMECYPBBNTJG-QZTJIDSGSA-N 1 2 329.444 2.301 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCc1ccc(Cl)cc1 ZINC000299551670 465797632 /nfs/dbraw/zinc/79/76/32/465797632.db2.gz SSOKXWDSUPQJGP-UHFFFAOYSA-N 1 2 349.862 2.347 20 30 EEEDLO Cc1[nH]c(CN2CCN(c3oc(C4CC4)nc3C#N)CC2)[nH+]c1C ZINC000600111130 468460959 /nfs/dbraw/zinc/46/09/59/468460959.db2.gz LSPFEXZCTYDKNX-UHFFFAOYSA-N 1 2 326.404 2.086 20 30 EEEDLO COc1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc(Cl)c1O ZINC000331276664 466008969 /nfs/dbraw/zinc/00/89/69/466008969.db2.gz RCRUYFUEUXKXFN-SNVBAGLBSA-N 1 2 328.796 2.080 20 30 EEEDLO COc1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cc(Cl)c1O ZINC000331276664 466008973 /nfs/dbraw/zinc/00/89/73/466008973.db2.gz RCRUYFUEUXKXFN-SNVBAGLBSA-N 1 2 328.796 2.080 20 30 EEEDLO C[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)NCC#Cc1cccc(F)c1 ZINC000346601919 466116168 /nfs/dbraw/zinc/11/61/68/466116168.db2.gz CKTLJOQXJIYMHK-YJBOKZPZSA-N 1 2 337.398 2.461 20 30 EEEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1C ZINC000346629571 466119670 /nfs/dbraw/zinc/11/96/70/466119670.db2.gz BFRMZIFMVSRWAW-GWCFXTLKSA-N 1 2 335.791 2.034 20 30 EEEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1C ZINC000346629571 466119674 /nfs/dbraw/zinc/11/96/74/466119674.db2.gz BFRMZIFMVSRWAW-GWCFXTLKSA-N 1 2 335.791 2.034 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2c2ccc(F)cc2)CCCCC1 ZINC000331536621 466129020 /nfs/dbraw/zinc/12/90/20/466129020.db2.gz FYJCXDPXLCQLAQ-IRXDYDNUSA-N 1 2 345.418 2.276 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2c2ccc(F)cc2)CCCCC1 ZINC000331536621 466129029 /nfs/dbraw/zinc/12/90/29/466129029.db2.gz FYJCXDPXLCQLAQ-IRXDYDNUSA-N 1 2 345.418 2.276 20 30 EEEDLO COc1cc(C)[nH+]c(CN(c2ccc(C#N)cc2)S(C)(=O)=O)c1 ZINC000340535754 466158578 /nfs/dbraw/zinc/15/85/78/466158578.db2.gz OBQVYLNUUSYYRB-UHFFFAOYSA-N 1 2 331.397 2.237 20 30 EEEDLO CC(C)OC[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000372122438 466173746 /nfs/dbraw/zinc/17/37/46/466173746.db2.gz ZTKQWGBARMDMGF-CQSZACIVSA-N 1 2 337.445 2.074 20 30 EEEDLO CC(C)OC[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000372122438 466173756 /nfs/dbraw/zinc/17/37/56/466173756.db2.gz ZTKQWGBARMDMGF-CQSZACIVSA-N 1 2 337.445 2.074 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000346869320 466212700 /nfs/dbraw/zinc/21/27/00/466212700.db2.gz KZGNKXLEGGAWDL-CYBMUJFWSA-N 1 2 333.189 2.404 20 30 EEEDLO Cc1[nH]c[nH+]c1CC(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000346869320 466212709 /nfs/dbraw/zinc/21/27/09/466212709.db2.gz KZGNKXLEGGAWDL-CYBMUJFWSA-N 1 2 333.189 2.404 20 30 EEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367259856 466223069 /nfs/dbraw/zinc/22/30/69/466223069.db2.gz KVFPGNDJJNJVCL-HNNXBMFYSA-N 1 2 326.444 2.386 20 30 EEEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000338623715 466267973 /nfs/dbraw/zinc/26/79/73/466267973.db2.gz CAXRVUPPHQCPGW-ZIFCJYIRSA-N 1 2 347.422 2.138 20 30 EEEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000338623715 466267982 /nfs/dbraw/zinc/26/79/82/466267982.db2.gz CAXRVUPPHQCPGW-ZIFCJYIRSA-N 1 2 347.422 2.138 20 30 EEEDLO C=CCOc1cccnc1-c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000349853208 466272991 /nfs/dbraw/zinc/27/29/91/466272991.db2.gz RBZVUBPBOIHNGE-AWEZNQCLSA-N 1 2 330.388 2.478 20 30 EEEDLO C=CCOc1cccnc1-c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000349853208 466272998 /nfs/dbraw/zinc/27/29/98/466272998.db2.gz RBZVUBPBOIHNGE-AWEZNQCLSA-N 1 2 330.388 2.478 20 30 EEEDLO N#CC[C@@H](CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000332250839 466470934 /nfs/dbraw/zinc/47/09/34/466470934.db2.gz CKRFNKQBNKOBGC-ROUUACIJSA-N 1 2 327.428 2.007 20 30 EEEDLO COc1cccc2c1cc[nH+]c2N(C)CCCc1[nH]nc(N)c1C#N ZINC000581588767 468496391 /nfs/dbraw/zinc/49/63/91/468496391.db2.gz IJFIMPCYVVEMGB-UHFFFAOYSA-N 1 2 336.399 2.489 20 30 EEEDLO COc1ccc(C(=O)N2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)c(OC)c1 ZINC000332426930 466540555 /nfs/dbraw/zinc/54/05/55/466540555.db2.gz CGANQKAXXPZLLX-LSDHHAIUSA-N 1 2 343.427 2.154 20 30 EEEDLO Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c(C#N)cn1 ZINC000425257690 467090539 /nfs/dbraw/zinc/09/05/39/467090539.db2.gz IXLWKPZFOULNEP-UXHICEINSA-N 1 2 334.423 2.351 20 30 EEEDLO Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c(C#N)cn1 ZINC000425257690 467090542 /nfs/dbraw/zinc/09/05/42/467090542.db2.gz IXLWKPZFOULNEP-UXHICEINSA-N 1 2 334.423 2.351 20 30 EEEDLO N#C[C@H]1CC[C@@H](NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000425404511 467093052 /nfs/dbraw/zinc/09/30/52/467093052.db2.gz WQYFNNWUVIENOB-JQHSSLGASA-N 1 2 342.443 2.051 20 30 EEEDLO C=CCOCCCS[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000427686432 467172934 /nfs/dbraw/zinc/17/29/34/467172934.db2.gz QWXPJYXFENFPOR-INIZCTEOSA-N 1 2 349.500 2.445 20 30 EEEDLO C[C@H](O)[C@H]1CCN(c2cc(NCc3cc(C#N)ccc3F)[nH+]cn2)C1 ZINC000413172683 467183185 /nfs/dbraw/zinc/18/31/85/467183185.db2.gz RIWKKUVCCYRPOB-JSGCOSHPSA-N 1 2 341.390 2.307 20 30 EEEDLO C[C@H](O)[C@H]1CCN(c2cc(NCc3cc(C#N)ccc3F)nc[nH+]2)C1 ZINC000413172683 467183189 /nfs/dbraw/zinc/18/31/89/467183189.db2.gz RIWKKUVCCYRPOB-JSGCOSHPSA-N 1 2 341.390 2.307 20 30 EEEDLO Cc1cccn2cc(CNC(=O)c3ncc(C#N)cc3Cl)[nH+]c12 ZINC000428049035 467198083 /nfs/dbraw/zinc/19/80/83/467198083.db2.gz PRZQZPFWDUQKSV-UHFFFAOYSA-N 1 2 325.759 2.493 20 30 EEEDLO C=C(C)[C@H](CC(=O)N1CCC[N@H+](Cc2nccn2CC)CC1)OCC ZINC000378286705 467253184 /nfs/dbraw/zinc/25/31/84/467253184.db2.gz VUXTXPGNASRQRS-KRWDZBQOSA-N 1 2 348.491 2.309 20 30 EEEDLO C=C(C)[C@H](CC(=O)N1CCC[N@@H+](Cc2nccn2CC)CC1)OCC ZINC000378286705 467253188 /nfs/dbraw/zinc/25/31/88/467253188.db2.gz VUXTXPGNASRQRS-KRWDZBQOSA-N 1 2 348.491 2.309 20 30 EEEDLO C=C(C)[C@H](CC(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1)OCC ZINC000378286705 467253191 /nfs/dbraw/zinc/25/31/91/467253191.db2.gz VUXTXPGNASRQRS-KRWDZBQOSA-N 1 2 348.491 2.309 20 30 EEEDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000451938917 467289273 /nfs/dbraw/zinc/28/92/73/467289273.db2.gz YEFAYMHGMXROHD-CYBMUJFWSA-N 1 2 341.864 2.316 20 30 EEEDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000451938917 467289275 /nfs/dbraw/zinc/28/92/75/467289275.db2.gz YEFAYMHGMXROHD-CYBMUJFWSA-N 1 2 341.864 2.316 20 30 EEEDLO Cc1ccc(C=Cc2nc(SC[C@@H](O)C[N@H+](C)CCC#N)n[nH]2)o1 ZINC000414107980 467378417 /nfs/dbraw/zinc/37/84/17/467378417.db2.gz KWSNJBFVVRYKJS-YBJDMEARSA-N 1 2 347.444 2.175 20 30 EEEDLO Cc1ccc(C=Cc2nc(SC[C@@H](O)C[N@@H+](C)CCC#N)n[nH]2)o1 ZINC000414107980 467378420 /nfs/dbraw/zinc/37/84/20/467378420.db2.gz KWSNJBFVVRYKJS-YBJDMEARSA-N 1 2 347.444 2.175 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(OCc2ccncc2)cc1 ZINC000414118717 467379342 /nfs/dbraw/zinc/37/93/42/467379342.db2.gz BPJFJWCGOISICE-KRWDZBQOSA-N 1 2 341.411 2.246 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(OCc2ccncc2)cc1 ZINC000414118717 467379346 /nfs/dbraw/zinc/37/93/46/467379346.db2.gz BPJFJWCGOISICE-KRWDZBQOSA-N 1 2 341.411 2.246 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](CC)[C@@H]1CCNC1=O ZINC000440964281 467571290 /nfs/dbraw/zinc/57/12/90/467571290.db2.gz XPCBQXHNKJKSMD-CQSZACIVSA-N 1 2 333.457 2.114 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@H+](CC)[C@@H]1CCNC1=O ZINC000440964281 467571291 /nfs/dbraw/zinc/57/12/91/467571291.db2.gz XPCBQXHNKJKSMD-CQSZACIVSA-N 1 2 333.457 2.114 20 30 EEEDLO C=CCCCCNC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000441127542 467571460 /nfs/dbraw/zinc/57/14/60/467571460.db2.gz QUFNPQNVRLFQIL-GOSISDBHSA-N 1 2 339.480 2.448 20 30 EEEDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000526058700 467648208 /nfs/dbraw/zinc/64/82/08/467648208.db2.gz DBJQKCVRDIHIIX-OAHLLOKOSA-N 1 2 342.443 2.125 20 30 EEEDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000526058700 467648210 /nfs/dbraw/zinc/64/82/10/467648210.db2.gz DBJQKCVRDIHIIX-OAHLLOKOSA-N 1 2 342.443 2.125 20 30 EEEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NC2(C#N)CCC2)c(OC)c1 ZINC000526135568 467650442 /nfs/dbraw/zinc/65/04/42/467650442.db2.gz LMGHFJSGMGOYTL-MRXNPFEDSA-N 1 2 343.427 2.403 20 30 EEEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCC2)c(OC)c1 ZINC000526135568 467650446 /nfs/dbraw/zinc/65/04/46/467650446.db2.gz LMGHFJSGMGOYTL-MRXNPFEDSA-N 1 2 343.427 2.403 20 30 EEEDLO CN(C[C@H]1CCC[N@@H+]1Cc1ncc(C#N)cn1)C(=O)OC(C)(C)C ZINC000496702768 467695022 /nfs/dbraw/zinc/69/50/22/467695022.db2.gz QNMMWYDKSRSHSI-CQSZACIVSA-N 1 2 331.420 2.180 20 30 EEEDLO CN(C[C@H]1CCC[N@H+]1Cc1ncc(C#N)cn1)C(=O)OC(C)(C)C ZINC000496702768 467695025 /nfs/dbraw/zinc/69/50/25/467695025.db2.gz QNMMWYDKSRSHSI-CQSZACIVSA-N 1 2 331.420 2.180 20 30 EEEDLO C#CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C(=O)OC ZINC000496943497 467746785 /nfs/dbraw/zinc/74/67/85/467746785.db2.gz XHNNWRDUXCJGRY-DKUMPPAJSA-N 1 2 336.432 2.071 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450250822 467808602 /nfs/dbraw/zinc/80/86/02/467808602.db2.gz OCUJENLFNZQZLR-UHFFFAOYSA-N 1 2 341.371 2.394 20 30 EEEDLO COCc1ccc(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1C#N ZINC000529214640 467829609 /nfs/dbraw/zinc/82/96/09/467829609.db2.gz REZNEMHSGJIIES-ZDUSSCGKSA-N 1 2 339.399 2.460 20 30 EEEDLO C=C[C@H]1CCCCN1c1nc(N2CCCC[C@H]2C=C)nc(NC)[nH+]1 ZINC000486472503 468011653 /nfs/dbraw/zinc/01/16/53/468011653.db2.gz UCXMICDUHLZRBN-GASCZTMLSA-N 1 2 328.464 2.425 20 30 EEEDLO C=C[C@H]1CCCCN1c1nc(NC)[nH+]c(N2CCCC[C@H]2C=C)n1 ZINC000486472503 468011654 /nfs/dbraw/zinc/01/16/54/468011654.db2.gz UCXMICDUHLZRBN-GASCZTMLSA-N 1 2 328.464 2.425 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)C1 ZINC000495594159 468097272 /nfs/dbraw/zinc/09/72/72/468097272.db2.gz MCWLVXXLFQKBNU-ZACQAIPSSA-N 1 2 348.491 2.306 20 30 EEEDLO C[C@@H](C#N)C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000495746630 468102259 /nfs/dbraw/zinc/10/22/59/468102259.db2.gz OJDQPMYPODAFER-HNNXBMFYSA-N 1 2 336.480 2.163 20 30 EEEDLO C[C@@H](C#N)C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000495746630 468102263 /nfs/dbraw/zinc/10/22/63/468102263.db2.gz OJDQPMYPODAFER-HNNXBMFYSA-N 1 2 336.480 2.163 20 30 EEEDLO C[C@@H](C#N)CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000495746630 468102267 /nfs/dbraw/zinc/10/22/67/468102267.db2.gz OJDQPMYPODAFER-HNNXBMFYSA-N 1 2 336.480 2.163 20 30 EEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000575759233 468153276 /nfs/dbraw/zinc/15/32/76/468153276.db2.gz PTVLXUMGUWBULP-OAHLLOKOSA-N 1 2 345.447 2.234 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(Br)ccc1F ZINC000567558324 468173194 /nfs/dbraw/zinc/17/31/94/468173194.db2.gz HUCOOCQZRODWLL-ZDUSSCGKSA-N 1 2 328.185 2.162 20 30 EEEDLO C=CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](C)COC ZINC000597952699 468722780 /nfs/dbraw/zinc/72/27/80/468722780.db2.gz VOZTUDBPQMPKDQ-ZDUSSCGKSA-N 1 2 344.371 2.444 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000560069245 468764845 /nfs/dbraw/zinc/76/48/45/468764845.db2.gz XWAXQKULXWNLGY-KBMXLJTQSA-N 1 2 329.375 2.356 20 30 EEEDLO CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000571408602 468784515 /nfs/dbraw/zinc/78/45/15/468784515.db2.gz VBPRJBSGWFSAPA-PXAZEXFGSA-N 1 2 348.472 2.086 20 30 EEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000571462938 468792353 /nfs/dbraw/zinc/79/23/53/468792353.db2.gz YZYMZDZMKOPFSE-URZJAHPPSA-N 1 2 332.448 2.063 20 30 EEEDLO COc1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)on1 ZINC000595297386 468803644 /nfs/dbraw/zinc/80/36/44/468803644.db2.gz DZWOUKDLLCZEPH-UHFFFAOYSA-N 1 2 349.394 2.425 20 30 EEEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000601368506 468843998 /nfs/dbraw/zinc/84/39/98/468843998.db2.gz VSEZXHDTTMFQPQ-GFCCVEGCSA-N 1 2 348.403 2.297 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](Cc3nc(-c4ccccc4)co3)CC2)n1 ZINC000571970957 468863448 /nfs/dbraw/zinc/86/34/48/468863448.db2.gz DETYJWZIBRYHEF-UHFFFAOYSA-N 1 2 346.394 2.325 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnn(-c2ccccc2Cl)c1 ZINC000593155232 468889381 /nfs/dbraw/zinc/88/93/81/468889381.db2.gz CMUFNTCDCDECLU-INIZCTEOSA-N 1 2 331.807 2.099 20 30 EEEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611662 468922430 /nfs/dbraw/zinc/92/24/30/468922430.db2.gz MQGJVGRSASRRAM-KGLIPLIRSA-N 1 2 329.400 2.410 20 30 EEEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611662 468922435 /nfs/dbraw/zinc/92/24/35/468922435.db2.gz MQGJVGRSASRRAM-KGLIPLIRSA-N 1 2 329.400 2.410 20 30 EEEDLO N#Cc1cccc(C[NH+]2CCC(Nc3cc[nH+]c(C(=O)[O-])c3)CC2)c1 ZINC000593326549 468939450 /nfs/dbraw/zinc/93/94/50/468939450.db2.gz HMUXLSARVPSFET-UHFFFAOYSA-N 1 2 336.395 2.150 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cn(-c4ccccc4)nn3)C2)nc1 ZINC000562379029 468946461 /nfs/dbraw/zinc/94/64/61/468946461.db2.gz JEALUUKJGXVOEF-SFHVURJKSA-N 1 2 346.394 2.187 20 30 EEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cn(-c4ccccc4)nn3)C2)nc1 ZINC000562379029 468946465 /nfs/dbraw/zinc/94/64/65/468946465.db2.gz JEALUUKJGXVOEF-SFHVURJKSA-N 1 2 346.394 2.187 20 30 EEEDLO COc1cccc2c(N(C)CCCc3[nH]nc(N)c3C#N)cc[nH+]c12 ZINC000562471365 468964684 /nfs/dbraw/zinc/96/46/84/468964684.db2.gz PEQAABZCYCZSSW-UHFFFAOYSA-N 1 2 336.399 2.489 20 30 EEEDLO COCC[N@H+](CCC#N)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000610511712 468991082 /nfs/dbraw/zinc/99/10/82/468991082.db2.gz LZGYUBLYGVNEJE-HKUYNNGSSA-N 1 2 332.444 2.304 20 30 EEEDLO COCC[N@@H+](CCC#N)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000610511712 468991088 /nfs/dbraw/zinc/99/10/88/468991088.db2.gz LZGYUBLYGVNEJE-HKUYNNGSSA-N 1 2 332.444 2.304 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(I)s2)C1 ZINC000602697383 469018257 /nfs/dbraw/zinc/01/82/57/469018257.db2.gz PBSPBMJGLXVXQU-LLVKDONJSA-N 1 2 348.209 2.203 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(I)s2)C1 ZINC000602697383 469018263 /nfs/dbraw/zinc/01/82/63/469018263.db2.gz PBSPBMJGLXVXQU-LLVKDONJSA-N 1 2 348.209 2.203 20 30 EEEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000595822345 469027622 /nfs/dbraw/zinc/02/76/22/469027622.db2.gz RIGNCUFITCOPOW-UHFFFAOYSA-N 1 2 339.439 2.065 20 30 EEEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000595822345 469027629 /nfs/dbraw/zinc/02/76/29/469027629.db2.gz RIGNCUFITCOPOW-UHFFFAOYSA-N 1 2 339.439 2.065 20 30 EEEDLO N#CCC1(C[NH+]2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CC1 ZINC000602788800 469076186 /nfs/dbraw/zinc/07/61/86/469076186.db2.gz VGCAOFGAGBCMKU-GOSISDBHSA-N 1 2 338.455 2.103 20 30 EEEDLO COc1cc(C)nc(N2CC[NH+](Cc3ccc(C#N)s3)CC2)n1 ZINC000611269824 469215058 /nfs/dbraw/zinc/21/50/58/469215058.db2.gz MRQKXSWEAAADJG-UHFFFAOYSA-N 1 2 329.429 2.049 20 30 EEEDLO N#C[C@]1(C(=O)N2CC[NH+](CCc3ccncc3)CC2)CC12CCCC2 ZINC000602198404 469237164 /nfs/dbraw/zinc/23/71/64/469237164.db2.gz KYFQJGOXCNVFMA-FQEVSTJZSA-N 1 2 338.455 2.242 20 30 EEEDLO Cc1cc(=O)n2nc(C[NH2+][C@H](C)c3cccc(C#N)c3)sc2n1 ZINC000611389355 469239416 /nfs/dbraw/zinc/23/94/16/469239416.db2.gz UGPLDJYJFCHEST-LLVKDONJSA-N 1 2 325.397 2.182 20 30 EEEDLO CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC000611472404 469256802 /nfs/dbraw/zinc/25/68/02/469256802.db2.gz LXNUTMPOHRZSFQ-HNNXBMFYSA-N 1 2 341.415 2.344 20 30 EEEDLO CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC000611472404 469256807 /nfs/dbraw/zinc/25/68/07/469256807.db2.gz LXNUTMPOHRZSFQ-HNNXBMFYSA-N 1 2 341.415 2.344 20 30 EEEDLO CC1(C)C[N@H+](CCNc2c(C#N)cnn2-c2ccccc2)CCO1 ZINC000603284012 469335775 /nfs/dbraw/zinc/33/57/75/469335775.db2.gz MYBVFZXXBDGCIQ-UHFFFAOYSA-N 1 2 325.416 2.267 20 30 EEEDLO CC1(C)C[N@@H+](CCNc2c(C#N)cnn2-c2ccccc2)CCO1 ZINC000603284012 469335778 /nfs/dbraw/zinc/33/57/78/469335778.db2.gz MYBVFZXXBDGCIQ-UHFFFAOYSA-N 1 2 325.416 2.267 20 30 EEEDLO C[C@H]([C@H](C)Nc1c(C#N)cnn1-c1ccccc1)[NH+]1CCOCC1 ZINC000603287347 469336725 /nfs/dbraw/zinc/33/67/25/469336725.db2.gz GFHWYEGCONCEPM-LSDHHAIUSA-N 1 2 325.416 2.265 20 30 EEEDLO Cc1ncc([C@@H](C)[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c(C)n1 ZINC000602488415 469337573 /nfs/dbraw/zinc/33/75/73/469337573.db2.gz XGJOZRUOBMGDCP-TZMCWYRMSA-N 1 2 337.431 2.027 20 30 EEEDLO Cc1ncc([C@@H](C)[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c(C)n1 ZINC000602488415 469337575 /nfs/dbraw/zinc/33/75/75/469337575.db2.gz XGJOZRUOBMGDCP-TZMCWYRMSA-N 1 2 337.431 2.027 20 30 EEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Oc2c(OC)cccc2OC)CC1 ZINC000619716204 469668862 /nfs/dbraw/zinc/66/88/62/469668862.db2.gz AONZVANWIFVZHH-CQSZACIVSA-N 1 2 335.400 2.275 20 30 EEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000619719039 469669987 /nfs/dbraw/zinc/66/99/87/469669987.db2.gz OZHRSLVCWIJNKQ-CYBMUJFWSA-N 1 2 337.807 2.113 20 30 EEEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000614297768 469902589 /nfs/dbraw/zinc/90/25/89/469902589.db2.gz ACJJZKSZARTXBA-CQSZACIVSA-N 1 2 336.395 2.178 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000609484316 469931281 /nfs/dbraw/zinc/93/12/81/469931281.db2.gz AJIBEWUHKIUTLI-MRXNPFEDSA-N 1 2 332.404 2.139 20 30 EEEDLO C=CCCC(C)(C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000620856961 469935669 /nfs/dbraw/zinc/93/56/69/469935669.db2.gz HQCJZGFIZBJOEG-OAHLLOKOSA-N 1 2 334.464 2.344 20 30 EEEDLO C=CCCC(C)(C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000620856961 469935673 /nfs/dbraw/zinc/93/56/73/469935673.db2.gz HQCJZGFIZBJOEG-OAHLLOKOSA-N 1 2 334.464 2.344 20 30 EEEDLO CC#CC[C@@H](CO)NC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000645156430 471157168 /nfs/dbraw/zinc/15/71/68/471157168.db2.gz ZYPHCNCVXLMQBN-KRWDZBQOSA-N 1 2 344.459 2.036 20 30 EEEDLO C=CCn1cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)nn1 ZINC000648375133 471186167 /nfs/dbraw/zinc/18/61/67/471186167.db2.gz YMHSOCRCGPSTPD-UHFFFAOYSA-N 1 2 340.431 2.017 20 30 EEEDLO C=CCCNC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000665946432 472246678 /nfs/dbraw/zinc/24/66/78/472246678.db2.gz YOPNIUQRVCCTID-QGZVFWFLSA-N 1 2 331.460 2.495 20 30 EEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc(C#N)cs1 ZINC000178377409 534445344 /nfs/dbraw/zinc/44/53/44/534445344.db2.gz XVRYATGSUYQSSL-UHFFFAOYSA-N 1 2 328.397 2.412 20 30 EEEDLO Cc1ccc2cc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)[nH]c2c1 ZINC000065595614 526225031 /nfs/dbraw/zinc/22/50/31/526225031.db2.gz AMULQSMLWRDIPC-UHFFFAOYSA-N 1 2 340.427 2.164 20 30 EEEDLO C=CC[N@@H+](CCOC)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000191125717 526301295 /nfs/dbraw/zinc/30/12/95/526301295.db2.gz VFOXGALPVGZBNS-UHFFFAOYSA-N 1 2 333.388 2.388 20 30 EEEDLO C=CC[N@H+](CCOC)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000191125717 526301299 /nfs/dbraw/zinc/30/12/99/526301299.db2.gz VFOXGALPVGZBNS-UHFFFAOYSA-N 1 2 333.388 2.388 20 30 EEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc(Br)cc1 ZINC000112335712 526689410 /nfs/dbraw/zinc/68/94/10/526689410.db2.gz XHVANHMRGBJQCZ-UHFFFAOYSA-N 1 2 328.210 2.153 20 30 EEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cccc(Br)c1C ZINC000090191552 526690031 /nfs/dbraw/zinc/69/00/31/526690031.db2.gz DPSJXUDWYBNWIO-UHFFFAOYSA-N 1 2 342.237 2.461 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000362298593 526708290 /nfs/dbraw/zinc/70/82/90/526708290.db2.gz VPKHCCMTXRHDID-DLBZAZTESA-N 1 2 335.492 2.134 20 30 EEEDLO C=CC[C@@H](CC)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000356376763 527049041 /nfs/dbraw/zinc/04/90/41/527049041.db2.gz PNQPLILZZPEVTL-NVXWUHKLSA-N 1 2 346.475 2.488 20 30 EEEDLO C=CC[C@@H](CC)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000356376763 527049045 /nfs/dbraw/zinc/04/90/45/527049045.db2.gz PNQPLILZZPEVTL-NVXWUHKLSA-N 1 2 346.475 2.488 20 30 EEEDLO C=CC[C@H](C)NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000117049285 527133408 /nfs/dbraw/zinc/13/34/08/527133408.db2.gz GCYIIZIPVZHWAL-FUHWJXTLSA-N 1 2 331.460 2.194 20 30 EEEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000109813832 527680945 /nfs/dbraw/zinc/68/09/45/527680945.db2.gz PHMZFLHDUXTXHF-OAHLLOKOSA-N 1 2 345.443 2.204 20 30 EEEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000109813832 527680948 /nfs/dbraw/zinc/68/09/48/527680948.db2.gz PHMZFLHDUXTXHF-OAHLLOKOSA-N 1 2 345.443 2.204 20 30 EEEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000109813837 527681595 /nfs/dbraw/zinc/68/15/95/527681595.db2.gz PHMZFLHDUXTXHF-HNNXBMFYSA-N 1 2 345.443 2.204 20 30 EEEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000109813837 527681599 /nfs/dbraw/zinc/68/15/99/527681599.db2.gz PHMZFLHDUXTXHF-HNNXBMFYSA-N 1 2 345.443 2.204 20 30 EEEDLO CCOCCOCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000190292237 528799656 /nfs/dbraw/zinc/79/96/56/528799656.db2.gz KXKZORFUHXKIAZ-UHFFFAOYSA-N 1 2 339.823 2.135 20 30 EEEDLO CCOCCOCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000190292237 528799662 /nfs/dbraw/zinc/79/96/62/528799662.db2.gz KXKZORFUHXKIAZ-UHFFFAOYSA-N 1 2 339.823 2.135 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(OC)c2)cn1 ZINC000728803124 576530832 /nfs/dbraw/zinc/53/08/32/576530832.db2.gz QAJUVBQHBLSTBL-GOSISDBHSA-N 1 2 346.390 2.324 20 30 EEEDLO COCCOc1cccc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)c1 ZINC000761837192 577689795 /nfs/dbraw/zinc/68/97/95/577689795.db2.gz UQBPQKQVQILRPZ-UHFFFAOYSA-N 1 2 338.371 2.134 20 30 EEEDLO NC(=NOC/C(Cl)=C\Cl)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000763180806 577716207 /nfs/dbraw/zinc/71/62/07/577716207.db2.gz VVSHIJOBHRMZIE-NTEUORMPSA-N 1 2 344.242 2.475 20 30 EEEDLO C#CC[N@@H+](CCN1c2cccc3cccc(c23)S1(=O)=O)C1CC1 ZINC000763949326 577728500 /nfs/dbraw/zinc/72/85/00/577728500.db2.gz AZOLRVGDHHPVLX-UHFFFAOYSA-N 1 2 326.421 2.446 20 30 EEEDLO C#CC[N@H+](CCN1c2cccc3cccc(c23)S1(=O)=O)C1CC1 ZINC000763949326 577728501 /nfs/dbraw/zinc/72/85/01/577728501.db2.gz AZOLRVGDHHPVLX-UHFFFAOYSA-N 1 2 326.421 2.446 20 30 EEEDLO C[C@H]1C[N@H+](CC/N=C/c2cc(Br)ccc2O)CCO1 ZINC000750950112 577745848 /nfs/dbraw/zinc/74/58/48/577745848.db2.gz ORRQNCKBZZWKMA-UJFYRASASA-N 1 2 327.222 2.294 20 30 EEEDLO C[C@H]1C[N@@H+](CC/N=C/c2cc(Br)ccc2O)CCO1 ZINC000750950112 577745849 /nfs/dbraw/zinc/74/58/49/577745849.db2.gz ORRQNCKBZZWKMA-UJFYRASASA-N 1 2 327.222 2.294 20 30 EEEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccn(CCC#N)n1 ZINC000735886298 578172414 /nfs/dbraw/zinc/17/24/14/578172414.db2.gz CJYKKDIOFFGSIU-CYBMUJFWSA-N 1 2 329.408 2.230 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)C1CC1 ZINC000823903708 608266591 /nfs/dbraw/zinc/26/65/91/608266591.db2.gz HZOSTYJJVHZNMD-UHFFFAOYSA-N 1 2 332.795 2.109 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)C1CC1 ZINC000823903708 608266592 /nfs/dbraw/zinc/26/65/92/608266592.db2.gz HZOSTYJJVHZNMD-UHFFFAOYSA-N 1 2 332.795 2.109 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc(COC)no2)C1 ZINC000969569908 675110404 /nfs/dbraw/zinc/11/04/04/675110404.db2.gz FFAIBNWGSHIVOL-QWHCGFSZSA-N 1 2 336.436 2.070 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ncc(C)s2)C1 ZINC000970571247 675992604 /nfs/dbraw/zinc/99/26/04/675992604.db2.gz ISRSBNWMPYZCON-KMFMINBZSA-N 1 2 349.500 2.369 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(C)nc3n[nH]c(C)c32)C1 ZINC000970587358 676007089 /nfs/dbraw/zinc/00/70/89/676007089.db2.gz UGMMBGRIAHVPGI-NSHDSACASA-N 1 2 347.850 2.377 20 30 EEEDLO CCn1cnc(C(=O)N[C@H](C)C2C[NH+](Cc3ccccc3C#N)C2)c1 ZINC000970753005 676126425 /nfs/dbraw/zinc/12/64/25/676126425.db2.gz WXBJEASBTHYFJR-CQSZACIVSA-N 1 2 337.427 2.025 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+]([C@H](C)c3ncc(C)o3)C2)cn1 ZINC000970767735 676134548 /nfs/dbraw/zinc/13/45/48/676134548.db2.gz VBOXLOGGKVVSGD-ZIAGYGMSSA-N 1 2 338.411 2.171 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([NH2+]Cc2nc(C(F)F)no2)C1 ZINC000969830605 675236167 /nfs/dbraw/zinc/23/61/67/675236167.db2.gz OKQRMFVKEDFWTR-MEBBXXQBSA-N 1 2 328.363 2.300 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(C)cc2=O)C[C@@H]1C ZINC000947414951 676229488 /nfs/dbraw/zinc/22/94/88/676229488.db2.gz BCIICKXZTGLDNC-UONOGXRCSA-N 1 2 337.851 2.029 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(C)cc2=O)C[C@@H]1C ZINC000947414951 676229490 /nfs/dbraw/zinc/22/94/90/676229490.db2.gz BCIICKXZTGLDNC-UONOGXRCSA-N 1 2 337.851 2.029 20 30 EEEDLO N#Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2CCc2c(F)cccc2F)c[nH]1 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DCSMDZSLXJNFPN-LLVKDONJSA-N 1 2 342.374 2.244 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021635590 676290592 /nfs/dbraw/zinc/29/05/92/676290592.db2.gz KWMKKOFKRWIDIP-HZPDHXFCSA-N 1 2 336.867 2.257 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cncc2C)C1 ZINC001021635590 676290593 /nfs/dbraw/zinc/29/05/93/676290593.db2.gz KWMKKOFKRWIDIP-HZPDHXFCSA-N 1 2 336.867 2.257 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2Cc3cccc(C)c3O2)C1 ZINC000971000871 676307174 /nfs/dbraw/zinc/30/71/74/676307174.db2.gz VVSBHCBNFAWKNR-BBRMVZONSA-N 1 2 334.847 2.488 20 30 EEEDLO C[N@H+](Cc1ccncc1Cl)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971290410 676472773 /nfs/dbraw/zinc/47/27/73/676472773.db2.gz BLFBRYAUOPLLKH-CQSZACIVSA-N 1 2 343.818 2.281 20 30 EEEDLO C[N@@H+](Cc1ccncc1Cl)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971290410 676472775 /nfs/dbraw/zinc/47/27/75/676472775.db2.gz BLFBRYAUOPLLKH-CQSZACIVSA-N 1 2 343.818 2.281 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCCCO2)C1 ZINC000971314529 676481756 /nfs/dbraw/zinc/48/17/56/676481756.db2.gz KRKMHJPICIXSPW-ZIAGYGMSSA-N 1 2 345.281 2.387 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCCCO2)C1 ZINC000971314529 676481757 /nfs/dbraw/zinc/48/17/57/676481757.db2.gz KRKMHJPICIXSPW-ZIAGYGMSSA-N 1 2 345.281 2.387 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc4sccc4[nH]3)CC2)C1 ZINC000949506036 676485571 /nfs/dbraw/zinc/48/55/71/676485571.db2.gz CIKYFWONMDJHNF-UHFFFAOYSA-N 1 2 343.452 2.170 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc4sccc4[nH]3)CC2)C1 ZINC000949506036 676485573 /nfs/dbraw/zinc/48/55/73/676485573.db2.gz CIKYFWONMDJHNF-UHFFFAOYSA-N 1 2 343.452 2.170 20 30 EEEDLO NC(CCO)=[NH+]OCc1ncc(-c2cccc(Br)c2)o1 ZINC000121347888 676544887 /nfs/dbraw/zinc/54/48/87/676544887.db2.gz UDNKEBWINYJDCO-UHFFFAOYSA-N 1 2 340.177 2.275 20 30 EEEDLO C[N@H+](Cc1cc(C(C)(C)C)on1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971514795 676607216 /nfs/dbraw/zinc/60/72/16/676607216.db2.gz WORFMPUUCXBRLS-INIZCTEOSA-N 1 2 329.444 2.418 20 30 EEEDLO C[N@@H+](Cc1cc(C(C)(C)C)on1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971514795 676607218 /nfs/dbraw/zinc/60/72/18/676607218.db2.gz WORFMPUUCXBRLS-INIZCTEOSA-N 1 2 329.444 2.418 20 30 EEEDLO COC1CC(C(=O)N2CC[C@H]([N@H+](C)Cc3cc(F)ccc3C#N)C2)C1 ZINC000971748356 676776241 /nfs/dbraw/zinc/77/62/41/676776241.db2.gz OHALAKAAYANQMK-GMXGEUMGSA-N 1 2 345.418 2.155 20 30 EEEDLO COC1CC(C(=O)N2CC[C@H]([N@@H+](C)Cc3cc(F)ccc3C#N)C2)C1 ZINC000971748356 676776243 /nfs/dbraw/zinc/77/62/43/676776243.db2.gz OHALAKAAYANQMK-GMXGEUMGSA-N 1 2 345.418 2.155 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC000972714195 679711103 /nfs/dbraw/zinc/71/11/03/679711103.db2.gz QLTOGQJFHUJLCC-HNNXBMFYSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC000972714195 679711105 /nfs/dbraw/zinc/71/11/05/679711105.db2.gz QLTOGQJFHUJLCC-HNNXBMFYSA-N 1 2 345.834 2.166 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)[C@H](C)c3nc(C)no3)C2)cc1 ZINC000972059395 678185365 /nfs/dbraw/zinc/18/53/65/678185365.db2.gz SNGVELLUMRHRDA-DYVFJYSZSA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@H](C)c3nc(C)no3)C2)cc1 ZINC000972059395 678185368 /nfs/dbraw/zinc/18/53/68/678185368.db2.gz SNGVELLUMRHRDA-DYVFJYSZSA-N 1 2 338.411 2.267 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)[C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000972081887 678219688 /nfs/dbraw/zinc/21/96/88/678219688.db2.gz KVTVPQSZFCSSGQ-HZPDHXFCSA-N 1 2 347.434 2.097 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000972081887 678219690 /nfs/dbraw/zinc/21/96/90/678219690.db2.gz KVTVPQSZFCSSGQ-HZPDHXFCSA-N 1 2 347.434 2.097 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)[C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000972081885 678219744 /nfs/dbraw/zinc/21/97/44/678219744.db2.gz KVTVPQSZFCSSGQ-CVEARBPZSA-N 1 2 347.434 2.097 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)[C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000972081885 678219747 /nfs/dbraw/zinc/21/97/47/678219747.db2.gz KVTVPQSZFCSSGQ-CVEARBPZSA-N 1 2 347.434 2.097 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ocnc2CC)C1 ZINC000972285555 678495515 /nfs/dbraw/zinc/49/55/15/678495515.db2.gz SUPHVIZJPRSNPN-LLVKDONJSA-N 1 2 342.237 2.292 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2ocnc2CC)C1 ZINC000972285555 678495519 /nfs/dbraw/zinc/49/55/19/678495519.db2.gz SUPHVIZJPRSNPN-LLVKDONJSA-N 1 2 342.237 2.292 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)cccc3Cl)C2)C1 ZINC000972450104 678764398 /nfs/dbraw/zinc/76/43/98/678764398.db2.gz RMGGTIUICLLKQH-IBGZPJMESA-N 1 2 346.858 2.127 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)cccc3Cl)C2)C1 ZINC000972450104 678764403 /nfs/dbraw/zinc/76/44/03/678764403.db2.gz RMGGTIUICLLKQH-IBGZPJMESA-N 1 2 346.858 2.127 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)c4ccccc34)C2)C1 ZINC000972454325 678774144 /nfs/dbraw/zinc/77/41/44/678774144.db2.gz UWPDDDDOKSDXCX-HXUWFJFHSA-N 1 2 339.439 2.281 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)c4ccccc34)C2)C1 ZINC000972454325 678774149 /nfs/dbraw/zinc/77/41/49/678774149.db2.gz UWPDDDDOKSDXCX-HXUWFJFHSA-N 1 2 339.439 2.281 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)n(CC)c3C)C2)C1 ZINC000972455470 678777493 /nfs/dbraw/zinc/77/74/93/678777493.db2.gz DCDOXVVCGAHQIO-FQEVSTJZSA-N 1 2 343.471 2.065 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)n(CC)c3C)C2)C1 ZINC000972455470 678777496 /nfs/dbraw/zinc/77/74/96/678777496.db2.gz DCDOXVVCGAHQIO-FQEVSTJZSA-N 1 2 343.471 2.065 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4c(cn3)CCCC4)C2)C1 ZINC000972457845 678786565 /nfs/dbraw/zinc/78/65/65/678786565.db2.gz GMUZIURDOPXHMG-FQEVSTJZSA-N 1 2 341.455 2.063 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4c(cn3)CCCC4)C2)C1 ZINC000972457845 678786570 /nfs/dbraw/zinc/78/65/70/678786570.db2.gz GMUZIURDOPXHMG-FQEVSTJZSA-N 1 2 341.455 2.063 20 30 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679360731 /nfs/dbraw/zinc/36/07/31/679360731.db2.gz SKRMCSHPCMTQFP-INIZCTEOSA-N 1 2 338.411 2.001 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4ccncc43)C2)C1 ZINC000972621630 679441444 /nfs/dbraw/zinc/44/14/44/679441444.db2.gz NKMWNALORCRKMY-NRFANRHFSA-N 1 2 349.434 2.175 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4ccncc43)C2)C1 ZINC000972621630 679441446 /nfs/dbraw/zinc/44/14/46/679441446.db2.gz NKMWNALORCRKMY-NRFANRHFSA-N 1 2 349.434 2.175 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4sccc4[nH]3)C2)C1 ZINC000972624580 679447152 /nfs/dbraw/zinc/44/71/52/679447152.db2.gz QDFIWJXIEDITIJ-SFHVURJKSA-N 1 2 343.452 2.170 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4sccc4[nH]3)C2)C1 ZINC000972624580 679447154 /nfs/dbraw/zinc/44/71/54/679447154.db2.gz QDFIWJXIEDITIJ-SFHVURJKSA-N 1 2 343.452 2.170 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn([C@H](C)CC)c3C)C2)C1 ZINC000972629647 679458973 /nfs/dbraw/zinc/45/89/73/679458973.db2.gz BWQKXTSKUORYLZ-BEFAXECRSA-N 1 2 346.475 2.265 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn([C@H](C)CC)c3C)C2)C1 ZINC000972629647 679458974 /nfs/dbraw/zinc/45/89/74/679458974.db2.gz BWQKXTSKUORYLZ-BEFAXECRSA-N 1 2 346.475 2.265 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3oc(CC)cc3C)C2)C1 ZINC000972638050 679477377 /nfs/dbraw/zinc/47/73/77/679477377.db2.gz HQGIIRWYSPXKAL-IBGZPJMESA-N 1 2 330.428 2.091 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3oc(CC)cc3C)C2)C1 ZINC000972638050 679477378 /nfs/dbraw/zinc/47/73/78/679477378.db2.gz HQGIIRWYSPXKAL-IBGZPJMESA-N 1 2 330.428 2.091 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(C)C)cc3)C2)C1 ZINC000972649282 679506531 /nfs/dbraw/zinc/50/65/31/679506531.db2.gz HKQFRCNLLUKNLL-FQEVSTJZSA-N 1 2 326.440 2.360 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(C)C)cc3)C2)C1 ZINC000972649282 679506534 /nfs/dbraw/zinc/50/65/34/679506534.db2.gz HKQFRCNLLUKNLL-FQEVSTJZSA-N 1 2 326.440 2.360 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3OCc4ccccc43)C2)C1 ZINC000972658350 679522236 /nfs/dbraw/zinc/52/22/36/679522236.db2.gz DODWOHMAVNGCRT-QUCCMNQESA-N 1 2 342.439 2.137 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3OCc4ccccc43)C2)C1 ZINC000972658350 679522240 /nfs/dbraw/zinc/52/22/40/679522240.db2.gz DODWOHMAVNGCRT-QUCCMNQESA-N 1 2 342.439 2.137 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3ccc(CC)cc3)C2)C1 ZINC000972670037 679564007 /nfs/dbraw/zinc/56/40/07/679564007.db2.gz WXTBMSSZRJYTRV-OAQYLSRUSA-N 1 2 340.467 2.118 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3ccc(CC)cc3)C2)C1 ZINC000972670037 679564010 /nfs/dbraw/zinc/56/40/10/679564010.db2.gz WXTBMSSZRJYTRV-OAQYLSRUSA-N 1 2 340.467 2.118 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](F)Cc3ccccc3)C2)C1 ZINC000972685846 679601136 /nfs/dbraw/zinc/60/11/36/679601136.db2.gz WDWJBNWWFNZUMX-MJGOQNOKSA-N 1 2 332.419 2.057 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](F)Cc3ccccc3)C2)C1 ZINC000972685846 679601139 /nfs/dbraw/zinc/60/11/39/679601139.db2.gz WDWJBNWWFNZUMX-MJGOQNOKSA-N 1 2 332.419 2.057 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCc4ccccc43)C2)C1 ZINC000972691957 679612958 /nfs/dbraw/zinc/61/29/58/679612958.db2.gz KOAPNENLJKRXEM-LEWJYISDSA-N 1 2 340.467 2.380 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCc4ccccc43)C2)C1 ZINC000972691957 679612959 /nfs/dbraw/zinc/61/29/59/679612959.db2.gz KOAPNENLJKRXEM-LEWJYISDSA-N 1 2 340.467 2.380 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC(C3CC3)C3CC3)C2)C1 ZINC000972696459 679621757 /nfs/dbraw/zinc/62/17/57/679621757.db2.gz XBZNJMGBMOZQSA-HXUWFJFHSA-N 1 2 330.472 2.139 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CC(C3CC3)C3CC3)C2)C1 ZINC000972696459 679621759 /nfs/dbraw/zinc/62/17/59/679621759.db2.gz XBZNJMGBMOZQSA-HXUWFJFHSA-N 1 2 330.472 2.139 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CCCO1 ZINC000972783505 679776244 /nfs/dbraw/zinc/77/62/44/679776244.db2.gz QOQSYOUGLULFEC-DLBZAZTESA-N 1 2 345.418 2.203 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CCCO1 ZINC000972783505 679776245 /nfs/dbraw/zinc/77/62/45/679776245.db2.gz QOQSYOUGLULFEC-DLBZAZTESA-N 1 2 345.418 2.203 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccon2)cc1F ZINC001024342718 679877778 /nfs/dbraw/zinc/87/77/78/679877778.db2.gz BMGLORIKAXSJIA-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccon2)cc1F ZINC001024342718 679877779 /nfs/dbraw/zinc/87/77/79/679877779.db2.gz BMGLORIKAXSJIA-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO Cc1csc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001024383284 679886121 /nfs/dbraw/zinc/88/61/21/679886121.db2.gz QVVFJWPQRQCUES-AWEZNQCLSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1csc(C[N@H+]2CCCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001024383284 679886122 /nfs/dbraw/zinc/88/61/22/679886122.db2.gz QVVFJWPQRQCUES-AWEZNQCLSA-N 1 2 343.456 2.436 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccn(C)n1 ZINC001024479743 679962391 /nfs/dbraw/zinc/96/23/91/679962391.db2.gz OOEREJKQLVTUGZ-KRWDZBQOSA-N 1 2 341.459 2.192 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccn(C)n1 ZINC001024479743 679962393 /nfs/dbraw/zinc/96/23/93/679962393.db2.gz OOEREJKQLVTUGZ-KRWDZBQOSA-N 1 2 341.459 2.192 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2nnc(C)n2c1 ZINC001024516804 680023098 /nfs/dbraw/zinc/02/30/98/680023098.db2.gz OEEUSSNVOLWVTI-HNNXBMFYSA-N 1 2 347.850 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2nnc(C)n2c1 ZINC001024516804 680023105 /nfs/dbraw/zinc/02/31/05/680023105.db2.gz OEEUSSNVOLWVTI-HNNXBMFYSA-N 1 2 347.850 2.375 20 30 EEEDLO C[C@@]1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)CCCOC1 ZINC000983027364 681686655 /nfs/dbraw/zinc/68/66/55/681686655.db2.gz QUGLDFQSDXLBNT-GOSISDBHSA-N 1 2 347.484 2.471 20 30 EEEDLO C[C@@]1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)CCCOC1 ZINC000983027364 681686657 /nfs/dbraw/zinc/68/66/57/681686657.db2.gz QUGLDFQSDXLBNT-GOSISDBHSA-N 1 2 347.484 2.471 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3C#N)CC2(C)C)ncn1 ZINC000973052116 681944107 /nfs/dbraw/zinc/94/41/07/681944107.db2.gz OOLANTAFTNSDFS-SFHVURJKSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3C#N)CC2(C)C)ncn1 ZINC000973052116 681944115 /nfs/dbraw/zinc/94/41/15/681944115.db2.gz OOLANTAFTNSDFS-SFHVURJKSA-N 1 2 349.438 2.297 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2ccccc2OC(F)(F)F)CC1 ZINC000255919960 682059019 /nfs/dbraw/zinc/05/90/19/682059019.db2.gz SLIWRRLRISULBF-FPLPWBNLSA-N 1 2 338.329 2.376 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccncc3)C2)c(F)c1 ZINC001006578681 682846987 /nfs/dbraw/zinc/84/69/87/682846987.db2.gz JYHMYOGHMOMFBH-KRWDZBQOSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccncc3)C2)c(F)c1 ZINC001006578681 682846988 /nfs/dbraw/zinc/84/69/88/682846988.db2.gz JYHMYOGHMOMFBH-KRWDZBQOSA-N 1 2 338.386 2.487 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H](C)C1 ZINC001026085973 683823936 /nfs/dbraw/zinc/82/39/36/683823936.db2.gz XXIIYWXSCUHAEW-DDNRWTCHSA-N 1 2 327.266 2.378 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H](C)C1 ZINC001026085973 683823939 /nfs/dbraw/zinc/82/39/39/683823939.db2.gz XXIIYWXSCUHAEW-DDNRWTCHSA-N 1 2 327.266 2.378 20 30 EEEDLO C[C@H]1C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)CO1 ZINC001029367711 684113049 /nfs/dbraw/zinc/11/30/49/684113049.db2.gz VIEUPSBFGJGJKF-UDTPNQRGSA-N 1 2 339.439 2.158 20 30 EEEDLO C[C@H]1C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)CO1 ZINC001029367711 684113051 /nfs/dbraw/zinc/11/30/51/684113051.db2.gz VIEUPSBFGJGJKF-UDTPNQRGSA-N 1 2 339.439 2.158 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cncc(C)c2)c1 ZINC001029466584 684839993 /nfs/dbraw/zinc/83/99/93/684839993.db2.gz FUOAXGMWJCBCID-BGYRXZFFSA-N 1 2 346.434 2.255 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cncc(C)c2)c1 ZINC001029466584 684839995 /nfs/dbraw/zinc/83/99/95/684839995.db2.gz FUOAXGMWJCBCID-BGYRXZFFSA-N 1 2 346.434 2.255 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H](N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000984629610 684902248 /nfs/dbraw/zinc/90/22/48/684902248.db2.gz XTRDBAMQEPTQDY-OAHLLOKOSA-N 1 2 344.459 2.066 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2CC)CC1 ZINC000985413468 686582944 /nfs/dbraw/zinc/58/29/44/686582944.db2.gz WGGXRQVHBUGLSU-JKSUJKDBSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC000938266437 694106455 /nfs/dbraw/zinc/10/64/55/694106455.db2.gz HKYMOCBOXAIWGI-AWEZNQCLSA-N 1 2 338.411 2.021 20 30 EEEDLO Cc1ncc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccc3C#N)C2)[nH]1 ZINC001027333866 687521345 /nfs/dbraw/zinc/52/13/45/687521345.db2.gz DUSBMBKDMCRWAI-KRWDZBQOSA-N 1 2 337.427 2.326 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC001027415682 688017166 /nfs/dbraw/zinc/01/71/66/688017166.db2.gz PAVRKKYKAKYARW-ZACQAIPSSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC001027415682 688017173 /nfs/dbraw/zinc/01/71/73/688017173.db2.gz PAVRKKYKAKYARW-ZACQAIPSSA-N 1 2 347.459 2.387 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)on1 ZINC001006720684 688037373 /nfs/dbraw/zinc/03/73/73/688037373.db2.gz IFQNQKHTDXNEMN-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)on1 ZINC001006720684 688037378 /nfs/dbraw/zinc/03/73/78/688037378.db2.gz IFQNQKHTDXNEMN-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO CC(C)CCc1noc(C[NH2+][C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)n1 ZINC000986270653 688448619 /nfs/dbraw/zinc/44/86/19/688448619.db2.gz XFCCPPSITAXNIZ-GDBMZVCRSA-N 1 2 344.459 2.151 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001060175955 694249315 /nfs/dbraw/zinc/24/93/15/694249315.db2.gz SRVTVTSERJUCBL-CVEARBPZSA-N 1 2 346.475 2.299 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000987098890 689353449 /nfs/dbraw/zinc/35/34/49/689353449.db2.gz SQGQKPASOZVFKS-HNNXBMFYSA-N 1 2 346.475 2.360 20 30 EEEDLO Cc1ocnc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001027780242 694466314 /nfs/dbraw/zinc/46/63/14/694466314.db2.gz MPZXMPBTTWFBQU-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ocnc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001027780242 694466319 /nfs/dbraw/zinc/46/63/19/694466319.db2.gz MPZXMPBTTWFBQU-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1conc1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001032107760 1192569159 /nfs/dbraw/zinc/56/91/59/1192569159.db2.gz VRWWJXKPQOYGGF-UHFFFAOYSA-N 1 2 343.814 2.350 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001481538097 1181678244 /nfs/dbraw/zinc/67/82/44/1181678244.db2.gz JTANSOZZLJMHIV-AWEZNQCLSA-N 1 2 349.862 2.145 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001481538097 1181678250 /nfs/dbraw/zinc/67/82/50/1181678250.db2.gz JTANSOZZLJMHIV-AWEZNQCLSA-N 1 2 349.862 2.145 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)C(C)(F)F)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088444923 1186897084 /nfs/dbraw/zinc/89/70/84/1186897084.db2.gz FIMWYEJZGNKRGN-YGRLFVJLSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)C(C)(F)F)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088444923 1186897087 /nfs/dbraw/zinc/89/70/87/1186897087.db2.gz FIMWYEJZGNKRGN-YGRLFVJLSA-N 1 2 325.334 2.432 20 30 EEEDLO C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001105425501 1186914311 /nfs/dbraw/zinc/91/43/11/1186914311.db2.gz KDFOPEOVLOPTAU-FMKPAKJESA-N 1 2 342.336 2.326 20 30 EEEDLO C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001105425501 1186914316 /nfs/dbraw/zinc/91/43/16/1186914316.db2.gz KDFOPEOVLOPTAU-FMKPAKJESA-N 1 2 342.336 2.326 20 30 EEEDLO CCn1cnc(C(=O)N(C)CC[N@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC001482643239 1187473652 /nfs/dbraw/zinc/47/36/52/1187473652.db2.gz JZZBLIJNJGHARS-UHFFFAOYSA-N 1 2 343.406 2.118 20 30 EEEDLO CCn1cnc(C(=O)N(C)CC[N@@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC001482643239 1187473655 /nfs/dbraw/zinc/47/36/55/1187473655.db2.gz JZZBLIJNJGHARS-UHFFFAOYSA-N 1 2 343.406 2.118 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CCC1CCC1 ZINC001212100080 1187889266 /nfs/dbraw/zinc/88/92/66/1187889266.db2.gz DLYGDTAFRWFKJI-RTBURBONSA-N 1 2 341.455 2.454 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CCC1CCC1 ZINC001212100080 1187889272 /nfs/dbraw/zinc/88/92/72/1187889272.db2.gz DLYGDTAFRWFKJI-RTBURBONSA-N 1 2 341.455 2.454 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCC[C@@H]1CNc1[nH+]cnc2c1cnn2C ZINC001105648174 1188362516 /nfs/dbraw/zinc/36/25/16/1188362516.db2.gz WORGBIIFAYYLMX-OCCSQVGLSA-N 1 2 328.420 2.026 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001076667711 1189092678 /nfs/dbraw/zinc/09/26/78/1189092678.db2.gz YFEQFPARBLSBDS-AWEZNQCLSA-N 1 2 332.448 2.122 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001076667711 1189092683 /nfs/dbraw/zinc/09/26/83/1189092683.db2.gz YFEQFPARBLSBDS-AWEZNQCLSA-N 1 2 332.448 2.122 20 30 EEEDLO C=C(C)CN1CCC2(CC[NH+](Cc3c(N)ncnc3Cl)CC2)C1=O ZINC001272907093 1193599309 /nfs/dbraw/zinc/59/93/09/1193599309.db2.gz OJFVSZGMORZSQY-UHFFFAOYSA-N 1 2 349.866 2.103 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)CCC(C)C)CC2)C1 ZINC001105687696 1189321342 /nfs/dbraw/zinc/32/13/42/1189321342.db2.gz MVUDSUNNZYEITE-UHFFFAOYSA-N 1 2 338.492 2.317 20 30 EEEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001018007446 1224206057 /nfs/dbraw/zinc/20/60/57/1224206057.db2.gz NRHVQUNTAMFGEY-CALCHBBNSA-N 1 2 334.423 2.389 20 30 EEEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001018007446 1224206067 /nfs/dbraw/zinc/20/60/67/1224206067.db2.gz NRHVQUNTAMFGEY-CALCHBBNSA-N 1 2 334.423 2.389 20 30 EEEDLO Cc1nocc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033377901 1194504361 /nfs/dbraw/zinc/50/43/61/1194504361.db2.gz DWEKDISOIXLXNW-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1nocc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033377901 1194504363 /nfs/dbraw/zinc/50/43/63/1194504363.db2.gz DWEKDISOIXLXNW-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO CCn1cnc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001033587356 1194916094 /nfs/dbraw/zinc/91/60/94/1194916094.db2.gz FMWHLXKTVRPNMH-QGZVFWFLSA-N 1 2 337.427 2.121 20 30 EEEDLO CCn1cnc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001033587356 1194916098 /nfs/dbraw/zinc/91/60/98/1194916098.db2.gz FMWHLXKTVRPNMH-QGZVFWFLSA-N 1 2 337.427 2.121 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC001033626792 1194970243 /nfs/dbraw/zinc/97/02/43/1194970243.db2.gz VMTJTBWVVISPRL-IRXDYDNUSA-N 1 2 334.847 2.413 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2Cc3ccccc3CO2)C1 ZINC001033626792 1194970246 /nfs/dbraw/zinc/97/02/46/1194970246.db2.gz VMTJTBWVVISPRL-IRXDYDNUSA-N 1 2 334.847 2.413 20 30 EEEDLO CCN(C(=O)c1cnsn1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033763076 1195200512 /nfs/dbraw/zinc/20/05/12/1195200512.db2.gz FHCUGWAHCANFPC-HNNXBMFYSA-N 1 2 341.440 2.146 20 30 EEEDLO CCN(C(=O)c1cnsn1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033763076 1195200514 /nfs/dbraw/zinc/20/05/14/1195200514.db2.gz FHCUGWAHCANFPC-HNNXBMFYSA-N 1 2 341.440 2.146 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2c(Cl)cnn2C)C1 ZINC001033830288 1195343192 /nfs/dbraw/zinc/34/31/92/1195343192.db2.gz GPYVEDQVSXJTQD-NSHDSACASA-N 1 2 331.247 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2c(Cl)cnn2C)C1 ZINC001033830288 1195343197 /nfs/dbraw/zinc/34/31/97/1195343197.db2.gz GPYVEDQVSXJTQD-NSHDSACASA-N 1 2 331.247 2.362 20 30 EEEDLO C#CCC[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001033921838 1195504418 /nfs/dbraw/zinc/50/44/18/1195504418.db2.gz FFBKHIKETGQCKT-KRWDZBQOSA-N 1 2 337.427 2.031 20 30 EEEDLO C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001033921838 1195504420 /nfs/dbraw/zinc/50/44/20/1195504420.db2.gz FFBKHIKETGQCKT-KRWDZBQOSA-N 1 2 337.427 2.031 20 30 EEEDLO C#Cc1cncc(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3nocc3C)C2)c1 ZINC001033954891 1195556065 /nfs/dbraw/zinc/55/60/65/1195556065.db2.gz HTOSMWDKSLRWEV-QGZVFWFLSA-N 1 2 338.411 2.096 20 30 EEEDLO C#Cc1cncc(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3nocc3C)C2)c1 ZINC001033954891 1195556068 /nfs/dbraw/zinc/55/60/68/1195556068.db2.gz HTOSMWDKSLRWEV-QGZVFWFLSA-N 1 2 338.411 2.096 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2c3c(nn2C)CCC3)C1 ZINC001034012106 1195631372 /nfs/dbraw/zinc/63/13/72/1195631372.db2.gz OPTVCWJNDLFIGZ-ZDUSSCGKSA-N 1 2 336.867 2.198 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2c3c(nn2C)CCC3)C1 ZINC001034012106 1195631375 /nfs/dbraw/zinc/63/13/75/1195631375.db2.gz OPTVCWJNDLFIGZ-ZDUSSCGKSA-N 1 2 336.867 2.198 20 30 EEEDLO COc1cc(C)cnc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001014764743 1224310306 /nfs/dbraw/zinc/31/03/06/1224310306.db2.gz RVYGBVWIXBWNCQ-GOSISDBHSA-N 1 2 349.434 2.254 20 30 EEEDLO COc1cc(C)cnc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001014764743 1224310314 /nfs/dbraw/zinc/31/03/14/1224310314.db2.gz RVYGBVWIXBWNCQ-GOSISDBHSA-N 1 2 349.434 2.254 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnc3nccnc3c2)C1 ZINC001034246225 1195998414 /nfs/dbraw/zinc/99/84/14/1195998414.db2.gz WHKDJSUUBOXIHQ-AWEZNQCLSA-N 1 2 345.834 2.362 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnc3nccnc3c2)C1 ZINC001034246225 1195998420 /nfs/dbraw/zinc/99/84/20/1195998420.db2.gz WHKDJSUUBOXIHQ-AWEZNQCLSA-N 1 2 345.834 2.362 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)c3[nH]ncc3F)C2)cc1 ZINC001034380807 1196163945 /nfs/dbraw/zinc/16/39/45/1196163945.db2.gz KJLOWYRLVWZHAE-OAHLLOKOSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)c3[nH]ncc3F)C2)cc1 ZINC001034380807 1196163947 /nfs/dbraw/zinc/16/39/47/1196163947.db2.gz KJLOWYRLVWZHAE-OAHLLOKOSA-N 1 2 341.390 2.205 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc3ncccn3n2)C1 ZINC001034459966 1196261275 /nfs/dbraw/zinc/26/12/75/1196261275.db2.gz VXFNQXCXMRJHEC-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc3ncccn3n2)C1 ZINC001034459966 1196261277 /nfs/dbraw/zinc/26/12/77/1196261277.db2.gz VXFNQXCXMRJHEC-CYBMUJFWSA-N 1 2 333.823 2.066 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+]([C@@H](C)c3ncccn3)C2)cn1 ZINC001034492502 1196282221 /nfs/dbraw/zinc/28/22/21/1196282221.db2.gz GBLXIYQZOOWVAD-MAUKXSAKSA-N 1 2 349.438 2.198 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+]([C@@H](C)c3ncccn3)C2)cn1 ZINC001034492502 1196282224 /nfs/dbraw/zinc/28/22/24/1196282224.db2.gz GBLXIYQZOOWVAD-MAUKXSAKSA-N 1 2 349.438 2.198 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001014802597 1224370785 /nfs/dbraw/zinc/37/07/85/1224370785.db2.gz WBURMGBRUNRGHX-HFTRVMKXSA-N 1 2 345.418 2.203 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001014802597 1224370791 /nfs/dbraw/zinc/37/07/91/1224370791.db2.gz WBURMGBRUNRGHX-HFTRVMKXSA-N 1 2 345.418 2.203 20 30 EEEDLO CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C)c(C#N)c2)C1=O ZINC001273214418 1197561670 /nfs/dbraw/zinc/56/16/70/1197561670.db2.gz WVPJHDGUALKKDF-YWZLYKJASA-N 1 2 339.439 2.411 20 30 EEEDLO CC(=O)[C@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2ccc(C)c(C#N)c2)C1=O ZINC001273214418 1197561673 /nfs/dbraw/zinc/56/16/73/1197561673.db2.gz WVPJHDGUALKKDF-YWZLYKJASA-N 1 2 339.439 2.411 20 30 EEEDLO C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1Nc1ncccc1C#N ZINC001067222750 1224511841 /nfs/dbraw/zinc/51/18/41/1224511841.db2.gz NCJPRDDLYWVFIK-YVEFUNNKSA-N 1 2 346.394 2.402 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc(CC)c1 ZINC001018240364 1224512661 /nfs/dbraw/zinc/51/26/61/1224512661.db2.gz GWCZWPHYDUDCJH-HDICACEKSA-N 1 2 326.440 2.326 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc(CC)c1 ZINC001018240364 1224512667 /nfs/dbraw/zinc/51/26/67/1224512667.db2.gz GWCZWPHYDUDCJH-HDICACEKSA-N 1 2 326.440 2.326 20 30 EEEDLO COCC[N@H+](CCNC(=O)C1(C)CCC1)Cc1ccccc1C#N ZINC001411223552 1198934146 /nfs/dbraw/zinc/93/41/46/1198934146.db2.gz MUXPKOJBPSXCOL-UHFFFAOYSA-N 1 2 329.444 2.313 20 30 EEEDLO COCC[N@@H+](CCNC(=O)C1(C)CCC1)Cc1ccccc1C#N ZINC001411223552 1198934147 /nfs/dbraw/zinc/93/41/47/1198934147.db2.gz MUXPKOJBPSXCOL-UHFFFAOYSA-N 1 2 329.444 2.313 20 30 EEEDLO N#Cc1ccc(NCC(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)cc1 ZINC000874895854 1199064961 /nfs/dbraw/zinc/06/49/61/1199064961.db2.gz GEMKNYMJUXAKGS-SFHVURJKSA-N 1 2 338.386 2.282 20 30 EEEDLO CCCCCCCC[NH+]1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000809987594 1199180400 /nfs/dbraw/zinc/18/04/00/1199180400.db2.gz FAQQMQYEZAWWFD-UHFFFAOYSA-N 1 2 328.482 2.077 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@@H+]1CC(=O)NC1CCCC1 ZINC001132033634 1199218015 /nfs/dbraw/zinc/21/80/15/1199218015.db2.gz JBHXDKNHTRSUCI-DOTOQJQBSA-N 1 2 347.503 2.064 20 30 EEEDLO C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1CC(=O)NC1CCCC1 ZINC001132033634 1199218018 /nfs/dbraw/zinc/21/80/18/1199218018.db2.gz JBHXDKNHTRSUCI-DOTOQJQBSA-N 1 2 347.503 2.064 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000810442068 1199524804 /nfs/dbraw/zinc/52/48/04/1199524804.db2.gz GRYBPITYOUUZIH-IBGZPJMESA-N 1 2 331.460 2.165 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1noc(-c2ccccc2C)n1 ZINC001132395938 1199652566 /nfs/dbraw/zinc/65/25/66/1199652566.db2.gz VOFYDCUOQMVHHH-UHFFFAOYSA-N 1 2 328.416 2.463 20 30 EEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000814645192 1199654155 /nfs/dbraw/zinc/65/41/55/1199654155.db2.gz YTMVGVPHYLTLDE-CQSZACIVSA-N 1 2 338.448 2.437 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2oc(CC)cc2C)CC[C@@H]1C ZINC001132423880 1199674617 /nfs/dbraw/zinc/67/46/17/1199674617.db2.gz CLPDBVMOHRWTPF-LSDHHAIUSA-N 1 2 347.459 2.035 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2oc(CC)cc2C)CC[C@@H]1C ZINC001132423880 1199674620 /nfs/dbraw/zinc/67/46/20/1199674620.db2.gz CLPDBVMOHRWTPF-LSDHHAIUSA-N 1 2 347.459 2.035 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(C)(CC)CC)C1=O ZINC001018290060 1224572140 /nfs/dbraw/zinc/57/21/40/1224572140.db2.gz UZGAFCTYNXBGTM-BBWFWOEESA-N 1 2 347.503 2.275 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(C)(CC)CC)C1=O ZINC001018290060 1224572144 /nfs/dbraw/zinc/57/21/44/1224572144.db2.gz UZGAFCTYNXBGTM-BBWFWOEESA-N 1 2 347.503 2.275 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCCC(=O)NC)CC[C@@H]1C ZINC001132533765 1199848912 /nfs/dbraw/zinc/84/89/12/1199848912.db2.gz SAXLWQLRSIEENQ-UONOGXRCSA-N 1 2 329.872 2.014 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCCC(=O)NC)CC[C@@H]1C ZINC001132533765 1199848917 /nfs/dbraw/zinc/84/89/17/1199848917.db2.gz SAXLWQLRSIEENQ-UONOGXRCSA-N 1 2 329.872 2.014 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nc(-c2ccccc2)no1 ZINC001132577338 1199874780 /nfs/dbraw/zinc/87/47/80/1199874780.db2.gz TZZGVQNAZPMRDG-KBPBESRZSA-N 1 2 328.416 2.401 20 30 EEEDLO C=CCCCC(=O)NCC[NH2+]Cc1nc(-c2ccccc2OC)no1 ZINC001133154219 1200508156 /nfs/dbraw/zinc/50/81/56/1200508156.db2.gz DSPOPGRIJWGOHU-UHFFFAOYSA-N 1 2 344.415 2.307 20 30 EEEDLO COc1cccc([C@@H]2CN(C(=O)c3ncc(C#N)cc3C)CC[NH2+]2)c1 ZINC000870152599 1200514508 /nfs/dbraw/zinc/51/45/08/1200514508.db2.gz KRTAXHINCKTJCK-KRWDZBQOSA-N 1 2 336.395 2.057 20 30 EEEDLO C#CC[C@@H](CO)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000879382520 1201035277 /nfs/dbraw/zinc/03/52/77/1201035277.db2.gz XEKGHCUKYYEWSN-INIZCTEOSA-N 1 2 338.411 2.392 20 30 EEEDLO C[C@@H]1C[C@@H](NC(=O)C(F)F)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000946952293 1201843051 /nfs/dbraw/zinc/84/30/51/1201843051.db2.gz KNXPDASVQFFFGX-YGRLFVJLSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@@H]1C[C@@H](NC(=O)C(F)F)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000946952293 1201843053 /nfs/dbraw/zinc/84/30/53/1201843053.db2.gz KNXPDASVQFFFGX-YGRLFVJLSA-N 1 2 325.334 2.432 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001006360487 1202152023 /nfs/dbraw/zinc/15/20/23/1202152023.db2.gz NBJSKPNKIJDMSY-GFCCVEGCSA-N 1 2 340.427 2.352 20 30 EEEDLO C=CCN1c2ccccc2C2(CC[NH+](COCCOC)CC2)C1=O ZINC001273990467 1202266016 /nfs/dbraw/zinc/26/60/16/1202266016.db2.gz NXLVCSWUNMPFOO-UHFFFAOYSA-N 1 2 330.428 2.173 20 30 EEEDLO C=CCC1(O)CC[NH+](CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)CC1 ZINC000884479107 1202325101 /nfs/dbraw/zinc/32/51/01/1202325101.db2.gz WOKQVHJICOEILL-SFHVURJKSA-N 1 2 349.475 2.238 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cn3ccc(Cl)cc3n2)C1=O ZINC001274168117 1204428868 /nfs/dbraw/zinc/42/88/68/1204428868.db2.gz PWWSYDHEKHTMIE-GOSISDBHSA-N 1 2 342.830 2.188 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cn3ccc(Cl)cc3n2)C1=O ZINC001274168117 1204428869 /nfs/dbraw/zinc/42/88/69/1204428869.db2.gz PWWSYDHEKHTMIE-GOSISDBHSA-N 1 2 342.830 2.188 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000826605711 1204584278 /nfs/dbraw/zinc/58/42/78/1204584278.db2.gz SEJMFPCSKAGIHN-HKUYNNGSSA-N 1 2 346.471 2.293 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000826605711 1204584280 /nfs/dbraw/zinc/58/42/80/1204584280.db2.gz SEJMFPCSKAGIHN-HKUYNNGSSA-N 1 2 346.471 2.293 20 30 EEEDLO C=C(C)C[C@H](CO)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890242492 1204811956 /nfs/dbraw/zinc/81/19/56/1204811956.db2.gz QHUJDULLLGEJDO-SJORKVTESA-N 1 2 328.416 2.251 20 30 EEEDLO C#CCCCC(=O)N1C[C@H](C)OC2(CC[NH+](Cc3ccon3)CC2)C1 ZINC001111542438 1204910031 /nfs/dbraw/zinc/91/00/31/1204910031.db2.gz SFSPSRVBDZZRTN-INIZCTEOSA-N 1 2 345.443 2.060 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccns1 ZINC001095432872 1205740418 /nfs/dbraw/zinc/74/04/18/1205740418.db2.gz KSAIBFPSKUYDLB-ZUOZUFPHSA-N 1 2 347.484 2.346 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccns1 ZINC001095432872 1205740419 /nfs/dbraw/zinc/74/04/19/1205740419.db2.gz KSAIBFPSKUYDLB-ZUOZUFPHSA-N 1 2 347.484 2.346 20 30 EEEDLO C=C(Cl)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001095449064 1205768884 /nfs/dbraw/zinc/76/88/84/1205768884.db2.gz XESGBSBCLLZSBW-PMPSAXMXSA-N 1 2 348.878 2.236 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C2CCOCC2)C[C@H]1C ZINC000946981142 1205957868 /nfs/dbraw/zinc/95/78/68/1205957868.db2.gz SSMZOMGQSRHXTN-TZMCWYRMSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C2CCOCC2)C[C@H]1C ZINC000946981142 1205957869 /nfs/dbraw/zinc/95/78/69/1205957869.db2.gz SSMZOMGQSRHXTN-TZMCWYRMSA-N 1 2 345.281 2.291 20 30 EEEDLO C=CCOc1cccc(NC(=O)N[C@H](CC)C[NH+]2CCOCC2)c1 ZINC000925584632 1206132126 /nfs/dbraw/zinc/13/21/26/1206132126.db2.gz QEBCQKVCMVSDMN-OAHLLOKOSA-N 1 2 333.432 2.484 20 30 EEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925583195 1206132201 /nfs/dbraw/zinc/13/22/01/1206132201.db2.gz KEWUDUICLRGSSO-GOSISDBHSA-N 1 2 347.434 2.081 20 30 EEEDLO Cc1ccc(C#N)cc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000929474792 1206479185 /nfs/dbraw/zinc/47/91/85/1206479185.db2.gz YBUNFARTOTXKOA-IBGZPJMESA-N 1 2 349.434 2.498 20 30 EEEDLO Cc1ccc(C#N)cc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000929474792 1206479186 /nfs/dbraw/zinc/47/91/86/1206479186.db2.gz YBUNFARTOTXKOA-IBGZPJMESA-N 1 2 349.434 2.498 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCCCC)CCC1 ZINC001110987046 1206552446 /nfs/dbraw/zinc/55/24/46/1206552446.db2.gz HJQIZVNBEFIJKO-ZACQAIPSSA-N 1 2 347.503 2.371 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCCCC)CCC1 ZINC001110987046 1206552448 /nfs/dbraw/zinc/55/24/48/1206552448.db2.gz HJQIZVNBEFIJKO-ZACQAIPSSA-N 1 2 347.503 2.371 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N[C@@H](C)CC)CC1 ZINC001110987821 1206554443 /nfs/dbraw/zinc/55/44/43/1206554443.db2.gz GYMQVZJMJQUKQD-HZMVEIRTSA-N 1 2 347.503 2.369 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N[C@@H](C)CC)CC1 ZINC001110987821 1206554444 /nfs/dbraw/zinc/55/44/44/1206554444.db2.gz GYMQVZJMJQUKQD-HZMVEIRTSA-N 1 2 347.503 2.369 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC(C)(C)C)C1 ZINC001111002106 1206601704 /nfs/dbraw/zinc/60/17/04/1206601704.db2.gz VPUXBIGAXFEDHY-OAGGEKHMSA-N 1 2 347.503 2.227 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC(C)(C)C)C1 ZINC001111002106 1206601705 /nfs/dbraw/zinc/60/17/05/1206601705.db2.gz VPUXBIGAXFEDHY-OAGGEKHMSA-N 1 2 347.503 2.227 20 30 EEEDLO CN(C(=O)C[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)C)C1(C#N)CCCCC1 ZINC000932440879 1207607301 /nfs/dbraw/zinc/60/73/01/1207607301.db2.gz ZIAQZAOSFBBPPX-HNNXBMFYSA-N 1 2 348.491 2.050 20 30 EEEDLO CN(C(=O)C[N@H+]1CCC[C@H]1C(=O)NC(C)(C)C)C1(C#N)CCCCC1 ZINC000932440879 1207607303 /nfs/dbraw/zinc/60/73/03/1207607303.db2.gz ZIAQZAOSFBBPPX-HNNXBMFYSA-N 1 2 348.491 2.050 20 30 EEEDLO CCOC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000932646139 1207645475 /nfs/dbraw/zinc/64/54/75/1207645475.db2.gz WXYRXWJBVAEKNR-CYBMUJFWSA-N 1 2 347.440 2.126 20 30 EEEDLO CCOC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000932646139 1207645477 /nfs/dbraw/zinc/64/54/77/1207645477.db2.gz WXYRXWJBVAEKNR-CYBMUJFWSA-N 1 2 347.440 2.126 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H]2C)CC1 ZINC001015268211 1225010357 /nfs/dbraw/zinc/01/03/57/1225010357.db2.gz YWJKJUKJLGGECF-RHSMWYFYSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc(C)n[nH]2)C[C@@H]1C ZINC000947102770 1207823912 /nfs/dbraw/zinc/82/39/12/1207823912.db2.gz DEZHZJHTJNARPF-RYUDHWBXSA-N 1 2 341.253 2.209 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)n[nH]2)C[C@@H]1C ZINC000947102770 1207823916 /nfs/dbraw/zinc/82/39/16/1207823916.db2.gz DEZHZJHTJNARPF-RYUDHWBXSA-N 1 2 341.253 2.209 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cnc(Cl)cn3)CC2)cc1 ZINC000799109628 1208348059 /nfs/dbraw/zinc/34/80/59/1208348059.db2.gz HKLSPYYTRLNLHJ-UHFFFAOYSA-N 1 2 327.819 2.319 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1O ZINC001111195382 1208353152 /nfs/dbraw/zinc/35/31/52/1208353152.db2.gz HPBUFPZMCOOPOD-HOTGVXAUSA-N 1 2 346.475 2.012 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2-c2ccccn2)C[C@@H]1C ZINC000947377029 1208550769 /nfs/dbraw/zinc/55/07/69/1208550769.db2.gz CUDUJFAXOBPIEE-LSDHHAIUSA-N 1 2 337.427 2.078 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2-c2ccccn2)C[C@@H]1C ZINC000947377029 1208550770 /nfs/dbraw/zinc/55/07/70/1208550770.db2.gz CUDUJFAXOBPIEE-LSDHHAIUSA-N 1 2 337.427 2.078 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cnco2)C[C@@H]1C ZINC000947584557 1208631781 /nfs/dbraw/zinc/63/17/81/1208631781.db2.gz JOFJOLAJUHRPDH-QWRGUYRKSA-N 1 2 328.210 2.166 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cnco2)C[C@@H]1C ZINC000947584557 1208631783 /nfs/dbraw/zinc/63/17/83/1208631783.db2.gz JOFJOLAJUHRPDH-QWRGUYRKSA-N 1 2 328.210 2.166 20 30 EEEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)C[C@H]1C ZINC000947600864 1208639335 /nfs/dbraw/zinc/63/93/35/1208639335.db2.gz AAXUTUMHNFZYGC-CJNGLKHVSA-N 1 2 325.416 2.240 20 30 EEEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)C[C@H]1C ZINC000947600864 1208639338 /nfs/dbraw/zinc/63/93/38/1208639338.db2.gz AAXUTUMHNFZYGC-CJNGLKHVSA-N 1 2 325.416 2.240 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(Br)c2)C1 ZINC001015312005 1225085975 /nfs/dbraw/zinc/08/59/75/1225085975.db2.gz VITDHVNBGQYFGX-JTQLQIEISA-N 1 2 332.629 2.334 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(Br)c2)C1 ZINC001015312005 1225085978 /nfs/dbraw/zinc/08/59/78/1225085978.db2.gz VITDHVNBGQYFGX-JTQLQIEISA-N 1 2 332.629 2.334 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015348469 1225135454 /nfs/dbraw/zinc/13/54/54/1225135454.db2.gz PESGQKNCQPFVOR-KSZLIROESA-N 1 2 327.428 2.064 20 30 EEEDLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015348469 1225135456 /nfs/dbraw/zinc/13/54/56/1225135456.db2.gz PESGQKNCQPFVOR-KSZLIROESA-N 1 2 327.428 2.064 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C)nc1OC ZINC000948969264 1209479825 /nfs/dbraw/zinc/47/98/25/1209479825.db2.gz DHILTILSYDAYBQ-LJQANCHMSA-N 1 2 349.434 2.361 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(C)nc1OC ZINC000948969264 1209479827 /nfs/dbraw/zinc/47/98/27/1209479827.db2.gz 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CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000077442239 1209802817 /nfs/dbraw/zinc/80/28/17/1209802817.db2.gz CXUAGKQCESCZEM-IBGZPJMESA-N 1 2 340.427 2.448 20 30 EEEDLO CCOC1CC(CC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000949804014 1209854284 /nfs/dbraw/zinc/85/42/84/1209854284.db2.gz KIGBABSCCSIHNM-UHFFFAOYSA-N 1 2 341.455 2.408 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](CCOc2ccccc2)C1 ZINC000949854079 1209886460 /nfs/dbraw/zinc/88/64/60/1209886460.db2.gz FPCQJPGAAGTKRD-UHFFFAOYSA-N 1 2 338.411 2.112 20 30 EEEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000078695662 1210387195 /nfs/dbraw/zinc/38/71/95/1210387195.db2.gz WDVDIACMBCNCJB-GFCCVEGCSA-N 1 2 338.367 2.231 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cnc3c(c2)c(C)nn3C)c1 ZINC000193503607 1210860151 /nfs/dbraw/zinc/86/01/51/1210860151.db2.gz ROXOHOUMRITHLK-UHFFFAOYSA-N 1 2 347.422 2.329 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cnc3c(c2)c(C)nn3C)c1 ZINC000193503607 1210860154 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ITEDQKVWJHCXBI-BLLLJJGKSA-N 1 2 336.867 2.486 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)no1 ZINC001006645545 1221877337 /nfs/dbraw/zinc/87/73/37/1221877337.db2.gz QEQXZRKRKIBSIG-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)no1 ZINC001006645545 1221877338 /nfs/dbraw/zinc/87/73/38/1221877338.db2.gz QEQXZRKRKIBSIG-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)c1cn[nH]c1 ZINC001006823155 1221962969 /nfs/dbraw/zinc/96/29/69/1221962969.db2.gz RMEAIKHOEMAJBI-KRWDZBQOSA-N 1 2 342.830 2.309 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)c1cn[nH]c1 ZINC001006823155 1221962973 /nfs/dbraw/zinc/96/29/73/1221962973.db2.gz RMEAIKHOEMAJBI-KRWDZBQOSA-N 1 2 342.830 2.309 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)c1C ZINC001006947454 1222029133 /nfs/dbraw/zinc/02/91/33/1222029133.db2.gz ZCEULJZCPWAVKT-QGZVFWFLSA-N 1 2 337.427 2.293 20 30 EEEDLO Cc1[nH]nc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)c1C ZINC001006947454 1222029136 /nfs/dbraw/zinc/02/91/36/1222029136.db2.gz ZCEULJZCPWAVKT-QGZVFWFLSA-N 1 2 337.427 2.293 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccncc3Cl)C2)c[nH]1 ZINC001007134773 1222106578 /nfs/dbraw/zinc/10/65/78/1222106578.db2.gz QKKCGKWYTZNQOX-CQSZACIVSA-N 1 2 343.818 2.329 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccncc3Cl)C2)c[nH]1 ZINC001007134773 1222106582 /nfs/dbraw/zinc/10/65/82/1222106582.db2.gz QKKCGKWYTZNQOX-CQSZACIVSA-N 1 2 343.818 2.329 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)[nH]1 ZINC001007138480 1222108113 /nfs/dbraw/zinc/10/81/13/1222108113.db2.gz DDBZZCVREXCDSG-GOSISDBHSA-N 1 2 332.407 2.132 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)[nH]1 ZINC001007138480 1222108118 /nfs/dbraw/zinc/10/81/18/1222108118.db2.gz DDBZZCVREXCDSG-GOSISDBHSA-N 1 2 332.407 2.132 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)C3=CCOCC3)C2)c1 ZINC001007192910 1222126178 /nfs/dbraw/zinc/12/61/78/1222126178.db2.gz YLWPEMJNOHIZRC-QGZVFWFLSA-N 1 2 343.402 2.125 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)C3=CCOCC3)C2)c1 ZINC001007192910 1222126181 /nfs/dbraw/zinc/12/61/81/1222126181.db2.gz YLWPEMJNOHIZRC-QGZVFWFLSA-N 1 2 343.402 2.125 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC001007360138 1222189931 /nfs/dbraw/zinc/18/99/31/1222189931.db2.gz MCKWHYUYRNLMQM-KSZLIROESA-N 1 2 347.434 2.283 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC001007360138 1222189935 /nfs/dbraw/zinc/18/99/35/1222189935.db2.gz MCKWHYUYRNLMQM-KSZLIROESA-N 1 2 347.434 2.283 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cn3ccccc3n2)C1 ZINC001007639317 1222338146 /nfs/dbraw/zinc/33/81/46/1222338146.db2.gz YTELYSFTZFYCTD-AWEZNQCLSA-N 1 2 332.835 2.210 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cn3ccccc3n2)C1 ZINC001007639317 1222338152 /nfs/dbraw/zinc/33/81/52/1222338152.db2.gz YTELYSFTZFYCTD-AWEZNQCLSA-N 1 2 332.835 2.210 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)c3cnc(C)cn3)C2)nc1 ZINC001009268827 1223194579 /nfs/dbraw/zinc/19/45/79/1223194579.db2.gz LBKDWDKEIZYOKF-WBVHZDCISA-N 1 2 349.438 2.117 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H](C)c3cnc(C)cn3)C2)nc1 ZINC001009268827 1223194580 /nfs/dbraw/zinc/19/45/80/1223194580.db2.gz LBKDWDKEIZYOKF-WBVHZDCISA-N 1 2 349.438 2.117 20 30 EEEDLO CCc1nc[nH]c1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001009364825 1223223275 /nfs/dbraw/zinc/22/32/75/1223223275.db2.gz QQDHAESGWYMJSN-LBPRGKRZSA-N 1 2 343.456 2.300 20 30 EEEDLO CCc1nc[nH]c1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001009364825 1223223278 /nfs/dbraw/zinc/22/32/78/1223223278.db2.gz QQDHAESGWYMJSN-LBPRGKRZSA-N 1 2 343.456 2.300 20 30 EEEDLO Cn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010245578 1223625256 /nfs/dbraw/zinc/62/52/56/1223625256.db2.gz WMTUIGVWGVLPSA-OAHLLOKOSA-N 1 2 326.375 2.040 20 30 EEEDLO Cn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010245578 1223625259 /nfs/dbraw/zinc/62/52/59/1223625259.db2.gz WMTUIGVWGVLPSA-OAHLLOKOSA-N 1 2 326.375 2.040 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccncc3F)C2)s1 ZINC001010420229 1223712866 /nfs/dbraw/zinc/71/28/66/1223712866.db2.gz XOLKEZQHFFFGND-LLVKDONJSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccncc3F)C2)s1 ZINC001010420229 1223712868 /nfs/dbraw/zinc/71/28/68/1223712868.db2.gz XOLKEZQHFFFGND-LLVKDONJSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3nc4ccccc4o3)C2)c1 ZINC001010457444 1223729219 /nfs/dbraw/zinc/72/92/19/1223729219.db2.gz LPBNPDIGALIAKR-ZDUSSCGKSA-N 1 2 335.367 2.032 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3nc4ccccc4o3)C2)c1 ZINC001010457444 1223729221 /nfs/dbraw/zinc/72/92/21/1223729221.db2.gz LPBNPDIGALIAKR-ZDUSSCGKSA-N 1 2 335.367 2.032 20 30 EEEDLO Cc1nscc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010683427 1223849095 /nfs/dbraw/zinc/84/90/95/1223849095.db2.gz NHSDQYJIDOSVFD-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1nscc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010683427 1223849100 /nfs/dbraw/zinc/84/91/00/1223849100.db2.gz NHSDQYJIDOSVFD-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1nscc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010685328 1223850432 /nfs/dbraw/zinc/85/04/32/1223850432.db2.gz ZGSJXQFFFMJBQW-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1nscc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010685328 1223850435 /nfs/dbraw/zinc/85/04/35/1223850435.db2.gz ZGSJXQFFFMJBQW-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]nc3c2cccc3OC)C1 ZINC001014578509 1226799919 /nfs/dbraw/zinc/79/99/19/1226799919.db2.gz QLAOARHCNGWCLA-NSHDSACASA-N 1 2 334.807 2.128 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3c2cccc3OC)C1 ZINC001014578509 1226799924 /nfs/dbraw/zinc/79/99/24/1226799924.db2.gz QLAOARHCNGWCLA-NSHDSACASA-N 1 2 334.807 2.128 20 30 EEEDLO CCCn1nccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001014578571 1226800431 /nfs/dbraw/zinc/80/04/31/1226800431.db2.gz RDCRVVLRILSDKQ-KRWDZBQOSA-N 1 2 337.427 2.169 20 30 EEEDLO CCCn1nccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001014578571 1226800437 /nfs/dbraw/zinc/80/04/37/1226800437.db2.gz RDCRVVLRILSDKQ-KRWDZBQOSA-N 1 2 337.427 2.169 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC23CC[NH+](Cc2cnn(C)n2)CC3)CC1 ZINC001016807444 1226893065 /nfs/dbraw/zinc/89/30/65/1226893065.db2.gz IARCALWKHPDALA-KRWDZBQOSA-N 1 2 343.475 2.032 20 30 EEEDLO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)c(C)n1 ZINC001017489781 1227462538 /nfs/dbraw/zinc/46/25/38/1227462538.db2.gz DZASCLKBBPUEFL-KDURUIRLSA-N 1 2 349.438 2.387 20 30 EEEDLO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)c(C)n1 ZINC001017489781 1227462542 /nfs/dbraw/zinc/46/25/42/1227462542.db2.gz DZASCLKBBPUEFL-KDURUIRLSA-N 1 2 349.438 2.387 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1coc2cc(F)ccc12 ZINC001017548594 1227510857 /nfs/dbraw/zinc/51/08/57/1227510857.db2.gz XFKJAZZCKCRRQD-IYBDPMFKSA-N 1 2 326.371 2.423 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1coc2cc(F)ccc12 ZINC001017548594 1227510866 /nfs/dbraw/zinc/51/08/66/1227510866.db2.gz XFKJAZZCKCRRQD-IYBDPMFKSA-N 1 2 326.371 2.423 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(-c2ccccc2)c1 ZINC001017717692 1227670525 /nfs/dbraw/zinc/67/05/25/1227670525.db2.gz QRWJNBKSTDIGGD-KDURUIRLSA-N 1 2 334.423 2.184 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(-c2ccccc2)c1 ZINC001017717692 1227670529 /nfs/dbraw/zinc/67/05/29/1227670529.db2.gz QRWJNBKSTDIGGD-KDURUIRLSA-N 1 2 334.423 2.184 20 30 EEEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(C)nn(C)c2s1 ZINC001017782331 1227728420 /nfs/dbraw/zinc/72/84/20/1227728420.db2.gz YEMBNHUHGCOHAC-OKILXGFUSA-N 1 2 342.468 2.255 20 30 EEEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(C)nn(C)c2s1 ZINC001017782331 1227728423 /nfs/dbraw/zinc/72/84/23/1227728423.db2.gz YEMBNHUHGCOHAC-OKILXGFUSA-N 1 2 342.468 2.255 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc(C)c1C(F)(F)F ZINC001017946036 1227905468 /nfs/dbraw/zinc/90/54/68/1227905468.db2.gz MPEYPGVARYFNAE-TXEJJXNPSA-N 1 2 340.349 2.049 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc(C)c1C(F)(F)F ZINC001017946036 1227905478 /nfs/dbraw/zinc/90/54/78/1227905478.db2.gz MPEYPGVARYFNAE-TXEJJXNPSA-N 1 2 340.349 2.049 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ncc(C(C)C)o3)C2)cn1 ZINC001019675290 1229247633 /nfs/dbraw/zinc/24/76/33/1229247633.db2.gz JCEACLBJZGSQKB-INIZCTEOSA-N 1 2 338.411 2.179 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC001020223283 1229565640 /nfs/dbraw/zinc/56/56/40/1229565640.db2.gz DRICFTYMBWJOOO-HAQNSBGRSA-N 1 2 331.807 2.075 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2[C@H](C)C(=O)NC2CCCC2)CC1 ZINC001038664938 1229961126 /nfs/dbraw/zinc/96/11/26/1229961126.db2.gz APWPRNUBRKSJBV-QAPCUYQASA-N 1 2 347.503 2.371 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2[C@H](C)C(=O)NC2CCCC2)CC1 ZINC001038664938 1229961129 /nfs/dbraw/zinc/96/11/29/1229961129.db2.gz APWPRNUBRKSJBV-QAPCUYQASA-N 1 2 347.503 2.371 20 30 EEEDLO CN(C)c1ccnc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)c1 ZINC001039074141 1230283314 /nfs/dbraw/zinc/28/33/14/1230283314.db2.gz OUNAWDHEJNHCFI-SFHVURJKSA-N 1 2 349.438 2.024 20 30 EEEDLO CN(C)c1ccnc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)c1 ZINC001039074141 1230283315 /nfs/dbraw/zinc/28/33/15/1230283315.db2.gz OUNAWDHEJNHCFI-SFHVURJKSA-N 1 2 349.438 2.024 20 30 EEEDLO C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131838 1230340175 /nfs/dbraw/zinc/34/01/75/1230340175.db2.gz XGKCXKOOVJCNAG-KGLIPLIRSA-N 1 2 334.357 2.471 20 30 EEEDLO C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131838 1230340178 /nfs/dbraw/zinc/34/01/78/1230340178.db2.gz XGKCXKOOVJCNAG-KGLIPLIRSA-N 1 2 334.357 2.471 20 30 EEEDLO C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC001039131838 1230340182 /nfs/dbraw/zinc/34/01/82/1230340182.db2.gz XGKCXKOOVJCNAG-KGLIPLIRSA-N 1 2 334.357 2.471 20 30 EEEDLO C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC001039131838 1230340186 /nfs/dbraw/zinc/34/01/86/1230340186.db2.gz XGKCXKOOVJCNAG-KGLIPLIRSA-N 1 2 334.357 2.471 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnco1 ZINC001039413152 1230593921 /nfs/dbraw/zinc/59/39/21/1230593921.db2.gz RCWMJLFBJDUABB-SJORKVTESA-N 1 2 336.395 2.425 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnco1 ZINC001039413152 1230593923 /nfs/dbraw/zinc/59/39/23/1230593923.db2.gz RCWMJLFBJDUABB-SJORKVTESA-N 1 2 336.395 2.425 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001039440023 1230610920 /nfs/dbraw/zinc/61/09/20/1230610920.db2.gz QWGYBEHQMZIUCF-QKPAOTATSA-N 1 2 348.878 2.341 20 30 EEEDLO 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C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3C[C@@H](F)CC)nc1 ZINC001039979334 1230946508 /nfs/dbraw/zinc/94/65/08/1230946508.db2.gz QOHITSJDZDZYMV-YESZJQIVSA-N 1 2 329.419 2.490 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C[C@@H](F)CC)nc1 ZINC001039979334 1230946511 /nfs/dbraw/zinc/94/65/11/1230946511.db2.gz QOHITSJDZDZYMV-YESZJQIVSA-N 1 2 329.419 2.490 20 30 EEEDLO Cc1nc[nH]c1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC001040027436 1230970274 /nfs/dbraw/zinc/97/02/74/1230970274.db2.gz DKTSKHBNPRHVLL-HDICACEKSA-N 1 2 349.438 2.469 20 30 EEEDLO Cc1nc[nH]c1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001040027436 1230970277 /nfs/dbraw/zinc/97/02/77/1230970277.db2.gz DKTSKHBNPRHVLL-HDICACEKSA-N 1 2 349.438 2.469 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001043430267 1232430568 /nfs/dbraw/zinc/43/05/68/1232430568.db2.gz RPDKNDOVIRIYDZ-TZMCWYRMSA-N 1 2 346.479 2.107 20 30 EEEDLO 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C=CCC(C)(C)C(=O)N[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001097104765 1243703306 /nfs/dbraw/zinc/70/33/06/1243703306.db2.gz FBDLGZRYAMCNHW-HAQNSBGRSA-N 1 2 328.420 2.025 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001097104613 1243704071 /nfs/dbraw/zinc/70/40/71/1243704071.db2.gz AABOXNQDJOZHCT-HDJSIYSDSA-N 1 2 343.475 2.126 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001097104613 1243704083 /nfs/dbraw/zinc/70/40/83/1243704083.db2.gz AABOXNQDJOZHCT-HDJSIYSDSA-N 1 2 343.475 2.126 20 30 EEEDLO Cc1nc(N2CC[C@@H]3[C@@H](CCCN3C(=O)C#CC(C)C)C2)cc[nH+]1 ZINC001097138204 1243754805 /nfs/dbraw/zinc/75/48/05/1243754805.db2.gz VUGNGSWNNPPYIE-DLBZAZTESA-N 1 2 326.444 2.262 20 30 EEEDLO C=CCOCC(=O)NC[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001097281452 1243918140 /nfs/dbraw/zinc/91/81/40/1243918140.db2.gz QVSAARYYBKVEBL-MRXNPFEDSA-N 1 2 346.475 2.444 20 30 EEEDLO Cc1nc(N2CCCC[C@H]2CNC(=O)[C@H](C)C#N)c2c([nH+]1)CCCC2 ZINC001097402002 1244107514 /nfs/dbraw/zinc/10/75/14/1244107514.db2.gz WGGYVTUXUIPUEL-HIFRSBDPSA-N 1 2 341.459 2.299 20 30 EEEDLO Cc1nc(N[C@@H]2CC[C@@H]3CN(C(=O)C#CC(C)(C)C)C[C@H]23)cc[nH+]1 ZINC001097598959 1244407321 /nfs/dbraw/zinc/40/73/21/1244407321.db2.gz MKHONBNZDVHKKN-OWCLPIDISA-N 1 2 326.444 2.483 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050894019 1244569943 /nfs/dbraw/zinc/56/99/43/1244569943.db2.gz ZNLGXGDHCHDDAF-LSDHHAIUSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050894019 1244569947 /nfs/dbraw/zinc/56/99/47/1244569947.db2.gz ZNLGXGDHCHDDAF-LSDHHAIUSA-N 1 2 332.448 2.052 20 30 EEEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccccc2)CC1)c1[nH]ncc1F ZINC001052688212 1244755339 /nfs/dbraw/zinc/75/53/39/1244755339.db2.gz OKDJVQNOJVDTAF-INIZCTEOSA-N 1 2 340.402 2.185 20 30 EEEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1)c1[nH]ncc1F ZINC001052688212 1244755347 /nfs/dbraw/zinc/75/53/47/1244755347.db2.gz OKDJVQNOJVDTAF-INIZCTEOSA-N 1 2 340.402 2.185 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001052689658 1244759120 /nfs/dbraw/zinc/75/91/20/1244759120.db2.gz FZYDRTMNWPJPFF-UKRRQHHQSA-N 1 2 346.475 2.074 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc2c(F)cccc2c1 ZINC001051023635 1244865281 /nfs/dbraw/zinc/86/52/81/1244865281.db2.gz UWSFFCVGAVUFPY-MRXNPFEDSA-N 1 2 343.402 2.381 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc2c(F)cccc2c1 ZINC001051023635 1244865297 /nfs/dbraw/zinc/86/52/97/1244865297.db2.gz UWSFFCVGAVUFPY-MRXNPFEDSA-N 1 2 343.402 2.381 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001051061714 1244928312 /nfs/dbraw/zinc/92/83/12/1244928312.db2.gz UTDPLTWYUADZDY-JKSUJKDBSA-N 1 2 346.475 2.229 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(F)cc(F)cc1F ZINC001051088277 1244961919 /nfs/dbraw/zinc/96/19/19/1244961919.db2.gz ATJSCJQELISZAL-LBPRGKRZSA-N 1 2 328.334 2.111 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(F)cc(F)cc1F ZINC001051088277 1244961925 /nfs/dbraw/zinc/96/19/25/1244961925.db2.gz ATJSCJQELISZAL-LBPRGKRZSA-N 1 2 328.334 2.111 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001052813462 1245051399 /nfs/dbraw/zinc/05/13/99/1245051399.db2.gz HMYHQAFUKWZURK-LSDHHAIUSA-N 1 2 346.475 2.155 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001052813462 1245051406 /nfs/dbraw/zinc/05/14/06/1245051406.db2.gz HMYHQAFUKWZURK-LSDHHAIUSA-N 1 2 346.475 2.155 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CCN1c1ccc(C#N)cn1 ZINC001051219850 1245407113 /nfs/dbraw/zinc/40/71/13/1245407113.db2.gz CMDMVFCGIJAKTL-DOMZBBRYSA-N 1 2 346.394 2.227 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1OCC ZINC001051229241 1245416396 /nfs/dbraw/zinc/41/63/96/1245416396.db2.gz XHWTZHJXBCRTPF-INIZCTEOSA-N 1 2 332.444 2.482 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1OCC ZINC001051229241 1245416401 /nfs/dbraw/zinc/41/64/01/1245416401.db2.gz XHWTZHJXBCRTPF-INIZCTEOSA-N 1 2 332.444 2.482 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C(F)F)CCC1)c1nccn12 ZINC001101637470 1246069729 /nfs/dbraw/zinc/06/97/29/1246069729.db2.gz MOPVVOPRRXXPQZ-GFCCVEGCSA-N 1 2 336.386 2.076 20 30 EEEDLO O=C(C#CC1CC1)N1CCOC2(C[NH+]([C@@H]3CCc4ccccc43)C2)C1 ZINC001053250532 1246094594 /nfs/dbraw/zinc/09/45/94/1246094594.db2.gz NZARZAQVIHOTIG-LJQANCHMSA-N 1 2 336.435 2.001 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1oc(CC3CC3)nc1C)CCO2 ZINC001053254282 1246100393 /nfs/dbraw/zinc/10/03/93/1246100393.db2.gz DAGLJJOMJANIGM-UHFFFAOYSA-N 1 2 345.443 2.038 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1cc(C)ccc1OC)CCO2 ZINC001053331622 1246192709 /nfs/dbraw/zinc/19/27/09/1246192709.db2.gz ZDGLYCCNXPCTDQ-UHFFFAOYSA-N 1 2 344.455 2.035 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC001051964100 1246317505 /nfs/dbraw/zinc/31/75/05/1246317505.db2.gz HOKCJONTFMJNTN-INIZCTEOSA-N 1 2 325.884 2.148 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3C=CCC3)C2)CC1 ZINC001051978485 1246335668 /nfs/dbraw/zinc/33/56/68/1246335668.db2.gz UFGYYXRFTLTBJJ-DLBZAZTESA-N 1 2 337.895 2.314 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3C=CCC3)C2)CC1 ZINC001051978487 1246335731 /nfs/dbraw/zinc/33/57/31/1246335731.db2.gz UFGYYXRFTLTBJJ-IRXDYDNUSA-N 1 2 337.895 2.314 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](CC)OC1CCCC1)CCO2 ZINC001053454340 1246347952 /nfs/dbraw/zinc/34/79/52/1246347952.db2.gz VSGHNCMSPPRAOU-KRWDZBQOSA-N 1 2 336.476 2.214 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC001052062317 1246432042 /nfs/dbraw/zinc/43/20/42/1246432042.db2.gz IQWSAFAJIIYCAS-GOSISDBHSA-N 1 2 342.487 2.012 20 30 EEEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccoc3C3CC3)C2)CC1 ZINC001052071689 1246445773 /nfs/dbraw/zinc/44/57/73/1246445773.db2.gz WYPNMYYOKMUMCM-KRWDZBQOSA-N 1 2 341.455 2.012 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC34CCC4)C2)CC1 ZINC001052087341 1246466647 /nfs/dbraw/zinc/46/66/47/1246466647.db2.gz SVJJCGNFHHUFEH-HZPDHXFCSA-N 1 2 337.895 2.148 20 30 EEEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](F)CC3CCCCC3)C2)CC1 ZINC001052108739 1246489038 /nfs/dbraw/zinc/48/90/38/1246489038.db2.gz QGQJDMQIWMWXLU-RBUKOAKNSA-N 1 2 349.494 2.147 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCCC3(C)C)C2)CC1 ZINC001052123591 1246509515 /nfs/dbraw/zinc/50/95/15/1246509515.db2.gz JTVCSBQHIAGARJ-OALUTQOASA-N 1 2 345.531 2.445 20 30 EEEDLO C=CCOc1ccccc1C(=O)NC[C@@H]1CCC2(C[NH+](CC=C)C2)O1 ZINC001053618671 1246543118 /nfs/dbraw/zinc/54/31/18/1246543118.db2.gz CEUCAAMJHBSYLI-INIZCTEOSA-N 1 2 342.439 2.401 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3ncccc3c1)O2 ZINC001053658325 1246601957 /nfs/dbraw/zinc/60/19/57/1246601957.db2.gz WWSIVIMIFQOYNS-KRWDZBQOSA-N 1 2 337.423 2.384 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1occ3c1CCCC3)O2 ZINC001053689818 1246656615 /nfs/dbraw/zinc/65/66/15/1246656615.db2.gz CMHMOSNJKHCYEW-HNNXBMFYSA-N 1 2 330.428 2.308 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1[nH]nc3ccccc31)O2 ZINC001053695177 1246667269 /nfs/dbraw/zinc/66/72/69/1246667269.db2.gz ZHZGDLZOJPONPN-CQSZACIVSA-N 1 2 340.427 2.102 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c3ccc(F)cc31)O2 ZINC001053703603 1246682451 /nfs/dbraw/zinc/68/24/51/1246682451.db2.gz KQRAZEVMMZFZJM-CQSZACIVSA-N 1 2 343.402 2.456 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C(F)F)nc1)CO2 ZINC001053823271 1246847837 /nfs/dbraw/zinc/84/78/37/1246847837.db2.gz IJIQCOXWWBXFQP-ZDUSSCGKSA-N 1 2 337.370 2.168 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)cc(C)nc1C)CO2 ZINC001053875598 1246953460 /nfs/dbraw/zinc/95/34/60/1246953460.db2.gz HJXNUBFORZNISK-MRXNPFEDSA-N 1 2 329.444 2.156 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C)nc1C(C)C)CO2 ZINC001053883774 1246962724 /nfs/dbraw/zinc/96/27/24/1246962724.db2.gz BYWKYMPLXOMPAM-MRXNPFEDSA-N 1 2 341.455 2.110 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3ccsc3c1)CO2 ZINC001053891900 1246974189 /nfs/dbraw/zinc/97/41/89/1246974189.db2.gz ZLTAZJWBSJMBEB-AWEZNQCLSA-N 1 2 343.452 2.446 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3ncccc3c1)CO2 ZINC001053913225 1247004681 /nfs/dbraw/zinc/00/46/81/1247004681.db2.gz NRVGQZLKUXWFFG-KRWDZBQOSA-N 1 2 337.423 2.384 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC(F)(F)C1)CO2 ZINC001053923397 1247019851 /nfs/dbraw/zinc/01/98/51/1247019851.db2.gz UAJCIJGDDSFFDS-ZIAGYGMSSA-N 1 2 328.403 2.348 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCOc3ccccc31)CO2 ZINC001053957391 1247067915 /nfs/dbraw/zinc/06/79/15/1247067915.db2.gz AOVUGAKCCQKDFL-RDJZCZTQSA-N 1 2 342.439 2.088 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1COC2(C[NH+](CC=C(C)C)C2)C1 ZINC001053993521 1247123036 /nfs/dbraw/zinc/12/30/36/1247123036.db2.gz NXQKIBGDFXLJEF-LJQANCHMSA-N 1 2 338.451 2.136 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1sc(CCC)nc1C)CO2 ZINC001054005283 1247138845 /nfs/dbraw/zinc/13/88/45/1247138845.db2.gz BBRZFEHJNPXSFW-CQSZACIVSA-N 1 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/nfs/dbraw/zinc/22/35/50/1247223550.db2.gz CZTKDZHLEMIHDL-IBGZPJMESA-N 1 2 344.418 2.124 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cn(CC)nc1C ZINC001054054328 1247248988 /nfs/dbraw/zinc/24/89/88/1247248988.db2.gz NUHGDJUTHBDFHD-SFHVURJKSA-N 1 2 336.439 2.001 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cn(CC)nc1C ZINC001054054328 1247248997 /nfs/dbraw/zinc/24/89/97/1247248997.db2.gz NUHGDJUTHBDFHD-SFHVURJKSA-N 1 2 336.439 2.001 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[C@]2(CC[N@H+](Cc3nn(C)cc3Cl)C2)C1 ZINC001054102517 1247410542 /nfs/dbraw/zinc/41/05/42/1247410542.db2.gz NUSKKCBQXOSWQN-SUMWQHHRSA-N 1 2 349.866 2.048 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3nn(C)cc3Cl)C2)C1 ZINC001054102517 1247410544 /nfs/dbraw/zinc/41/05/44/1247410544.db2.gz NUSKKCBQXOSWQN-SUMWQHHRSA-N 1 2 349.866 2.048 20 30 EEEDLO C=C(C)CCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C2 ZINC001054488292 1248494646 /nfs/dbraw/zinc/49/46/46/1248494646.db2.gz XKISZZNLBAGCKN-MUJYYYPQSA-N 1 2 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329.400 2.317 20 30 EEEDLO COc1cnc(O[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)C2)nc1 ZINC001232894268 1304285855 /nfs/dbraw/zinc/28/58/55/1304285855.db2.gz RAIWVXHYKZIAGM-HNNXBMFYSA-N 1 2 328.347 2.149 20 30 EEEDLO COc1cnc(O[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)nc1 ZINC001232894268 1304285861 /nfs/dbraw/zinc/28/58/61/1304285861.db2.gz RAIWVXHYKZIAGM-HNNXBMFYSA-N 1 2 328.347 2.149 20 30 EEEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1cccc(OCC)n1 ZINC001233966442 1304660802 /nfs/dbraw/zinc/66/08/02/1304660802.db2.gz LZPRQKTZFXSXLA-QGZVFWFLSA-N 1 2 329.444 2.317 20 30 EEEDLO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cccc(OCC)n1 ZINC001233966442 1304660806 /nfs/dbraw/zinc/66/08/06/1304660806.db2.gz LZPRQKTZFXSXLA-QGZVFWFLSA-N 1 2 329.444 2.317 20 30 EEEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)[C@H](C)CC(C)C ZINC001234171003 1304780014 /nfs/dbraw/zinc/78/00/14/1304780014.db2.gz NIPFRKKRGAKQDE-MSOLQXFVSA-N 1 2 349.519 2.072 20 30 EEEDLO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)[C@H](C)CC(C)C ZINC001234171003 1304780017 /nfs/dbraw/zinc/78/00/17/1304780017.db2.gz NIPFRKKRGAKQDE-MSOLQXFVSA-N 1 2 349.519 2.072 20 30 EEEDLO COc1cccc(C[N@@H+]2CC[C@H]2CN(C)C(=O)C#CC(C)(C)C)n1 ZINC001234196378 1304794717 /nfs/dbraw/zinc/79/47/17/1304794717.db2.gz SIQBOMWKVIWIFF-INIZCTEOSA-N 1 2 329.444 2.172 20 30 EEEDLO COc1cccc(C[N@H+]2CC[C@H]2CN(C)C(=O)C#CC(C)(C)C)n1 ZINC001234196378 1304794720 /nfs/dbraw/zinc/79/47/20/1304794720.db2.gz SIQBOMWKVIWIFF-INIZCTEOSA-N 1 2 329.444 2.172 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1C[C@H](O)c1ccccc1F)C(=O)C#CC(C)(C)C ZINC001234206840 1304798485 /nfs/dbraw/zinc/79/84/85/1304798485.db2.gz VSGAEQNVKAIAQH-YJBOKZPZSA-N 1 2 346.446 2.441 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1C[C@H](O)c1ccccc1F)C(=O)C#CC(C)(C)C ZINC001234206840 1304798492 /nfs/dbraw/zinc/79/84/92/1304798492.db2.gz VSGAEQNVKAIAQH-YJBOKZPZSA-N 1 2 346.446 2.441 20 30 EEEDLO C=C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]21)c1ccccc1 ZINC001115280616 1304899658 /nfs/dbraw/zinc/89/96/58/1304899658.db2.gz 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C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@H](C)C1 ZINC001121495626 1310029156 /nfs/dbraw/zinc/02/91/56/1310029156.db2.gz MRSFGBAQTUVPLA-JKSUJKDBSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@H](C)C1 ZINC001121495626 1310029161 /nfs/dbraw/zinc/02/91/61/1310029161.db2.gz MRSFGBAQTUVPLA-JKSUJKDBSA-N 1 2 333.480 2.482 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CCCN(c2[nH+]cnc3c2cnn3C)[C@H]1C ZINC001123652751 1310661984 /nfs/dbraw/zinc/66/19/84/1310661984.db2.gz HIFJCTLVIYHTPZ-GXTWGEPZSA-N 1 2 342.447 2.049 20 30 EEEDLO C=CCOCCCC(=O)NCC[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC001125261577 1314445014 /nfs/dbraw/zinc/44/50/14/1314445014.db2.gz XMGSOXMKLZDTIQ-CYBMUJFWSA-N 1 2 338.452 2.117 20 30 EEEDLO N#CCOc1ccc(CC(=O)OCC2CN(c3cccc[nH+]3)C2)cc1 ZINC000842889742 1315792443 /nfs/dbraw/zinc/79/24/43/1315792443.db2.gz AQUCTTZIWZDAMG-UHFFFAOYSA-N 1 2 337.379 2.206 20 30 EEEDLO CON=Cc1ccc(C(=O)OCC2CN(c3cccc[nH+]3)C2)cc1 ZINC000842890153 1315793164 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ZINC001100369803 1338318696 /nfs/dbraw/zinc/31/86/96/1338318696.db2.gz RPIUSHAOXRHFBZ-CVEARBPZSA-N 1 2 346.475 2.442 20 30 EEEDLO C#Cc1ccc(C(=O)NCCN(CC)c2cc(C)[nH+]c(C3CC3)n2)cn1 ZINC001100572195 1338517055 /nfs/dbraw/zinc/51/70/55/1338517055.db2.gz SUEIGFCJTCUYFQ-UHFFFAOYSA-N 1 2 349.438 2.295 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)ccn12 ZINC000848780017 1338761393 /nfs/dbraw/zinc/76/13/93/1338761393.db2.gz FMVAJLNQUMBWOZ-UGSOOPFHSA-N 1 2 342.399 2.243 20 30 EEEDLO N#Cc1ccc(CNC(=O)c2c[nH+]ccc2Nc2ccccc2)nc1 ZINC001570049660 1343004355 /nfs/dbraw/zinc/00/43/55/1343004355.db2.gz JIQBMSYHOOQSQB-UHFFFAOYSA-N 1 2 329.363 2.444 20 30 EEEDLO CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(C)(C#N)CC1 ZINC001646718750 1352943783 /nfs/dbraw/zinc/94/37/83/1352943783.db2.gz XFGMLUYRKZRQPV-HNNXBMFYSA-N 1 2 346.479 2.210 20 30 EEEDLO CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(C)(C#N)CC1 ZINC001646718750 1352943785 /nfs/dbraw/zinc/94/37/85/1352943785.db2.gz XFGMLUYRKZRQPV-HNNXBMFYSA-N 1 2 346.479 2.210 20 30 EEEDLO CNC(=O)c1cccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000121495152 1367327134 /nfs/dbraw/zinc/32/71/34/1367327134.db2.gz QLRKQNOXDUHOMC-FQEVSTJZSA-N 1 2 348.450 2.429 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+]([C@H](C)c3nc(COC)no3)C[C@H]21 ZINC001188080386 1368279891 /nfs/dbraw/zinc/27/98/91/1368279891.db2.gz CXBIIUGFKKPTHR-QLFBSQMISA-N 1 2 348.447 2.166 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3nc(COC)no3)C[C@H]21 ZINC001188080386 1368279901 /nfs/dbraw/zinc/27/99/01/1368279901.db2.gz CXBIIUGFKKPTHR-QLFBSQMISA-N 1 2 348.447 2.166 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1COCCN1c1cc(C)[nH+]c(CC)n1 ZINC001111705109 1368663574 /nfs/dbraw/zinc/66/35/74/1368663574.db2.gz NRIYKFFBVJFWTQ-HNNXBMFYSA-N 1 2 332.448 2.025 20 30 EEEDLO C=CCCC(=O)NC[C@@H]1CC2(CO1)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001110612270 1369207837 /nfs/dbraw/zinc/20/78/37/1369207837.db2.gz SZFXEJJCWQYTMC-INIZCTEOSA-N 1 2 344.459 2.243 20 30 EEEDLO C=CC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@H](C)COC ZINC000853533717 1369347901 /nfs/dbraw/zinc/34/79/01/1369347901.db2.gz BJWGWGQAHOWIIW-CYBMUJFWSA-N 1 2 331.376 2.334 20 30 EEEDLO C=CC[N@@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@H](C)COC ZINC000853533717 1369347905 /nfs/dbraw/zinc/34/79/05/1369347905.db2.gz BJWGWGQAHOWIIW-CYBMUJFWSA-N 1 2 331.376 2.334 20 30 EEEDLO C=CC[C@@H]1CCC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000853536279 1369348724 /nfs/dbraw/zinc/34/87/24/1369348724.db2.gz RGENPOHTBNZKAD-GFCCVEGCSA-N 1 2 329.356 2.436 20 30 EEEDLO C=CC[C@@H]1CCC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000853536279 1369348726 /nfs/dbraw/zinc/34/87/26/1369348726.db2.gz RGENPOHTBNZKAD-GFCCVEGCSA-N 1 2 329.356 2.436 20 30 EEEDLO C#CCC[N@@H+](CCOC)CN1C[C@H](Cc2cccc(F)c2)OC1=O ZINC000853620785 1369359653 /nfs/dbraw/zinc/35/96/53/1369359653.db2.gz DHRWKJFGJAHDLF-KRWDZBQOSA-N 1 2 334.391 2.118 20 30 EEEDLO C#CCC[N@H+](CCOC)CN1C[C@H](Cc2cccc(F)c2)OC1=O ZINC000853620785 1369359657 /nfs/dbraw/zinc/35/96/57/1369359657.db2.gz DHRWKJFGJAHDLF-KRWDZBQOSA-N 1 2 334.391 2.118 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001095313696 1369394093 /nfs/dbraw/zinc/39/40/93/1369394093.db2.gz WNDJSKDCWXCCRS-CYBMUJFWSA-N 1 2 342.447 2.369 20 30 EEEDLO CCc1nc(N2CCCCC[C@@H]2CNC(=O)[C@H](C)C#N)cc(C)[nH+]1 ZINC001114359755 1369583185 /nfs/dbraw/zinc/58/31/85/1369583185.db2.gz WFNUPMDANZNADT-UKRRQHHQSA-N 1 2 329.448 2.372 20 30 EEEDLO C=C(Cl)CN1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001071628796 1370539192 /nfs/dbraw/zinc/53/91/92/1370539192.db2.gz SXZZQWUSWDTSHI-QWHCGFSZSA-N 1 2 340.855 2.071 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001073493012 1370867048 /nfs/dbraw/zinc/86/70/48/1370867048.db2.gz PNGWYRFMNNOIOC-HNAYVOBHSA-N 1 2 346.475 2.229 20 30 EEEDLO Cc1nnc([C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)[nH]1 ZINC001111742881 1371237384 /nfs/dbraw/zinc/23/73/84/1371237384.db2.gz QXWUERPQFPBOAB-WTANOLMUSA-N 1 2 343.475 2.194 20 30 EEEDLO Cc1nnc([C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C#CC(C)(C)C)C2)[nH]1 ZINC001111742881 1371237390 /nfs/dbraw/zinc/23/73/90/1371237390.db2.gz QXWUERPQFPBOAB-WTANOLMUSA-N 1 2 343.475 2.194 20 30 EEEDLO C=CCC1(C(=O)N2CCO[C@H](CNc3cc[nH+]c(C)n3)C2)CCC1 ZINC001111961511 1371334927 /nfs/dbraw/zinc/33/49/27/1371334927.db2.gz AWNIRBLTJSERFH-OAHLLOKOSA-N 1 2 330.432 2.171 20 30 EEEDLO Cc1nc(N2CC[C@H](NC(=O)CSCC#N)C[C@H]2C)c(C)c(C)[nH+]1 ZINC001112465057 1371456966 /nfs/dbraw/zinc/45/69/66/1371456966.db2.gz MNEFXTIKIWTJES-ABAIWWIYSA-N 1 2 347.488 2.132 20 30 EEEDLO C=C[C@@H](COC)NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001116620068 1371730757 /nfs/dbraw/zinc/73/07/57/1371730757.db2.gz DDYDZOLJVHPHHX-VOCYLRNQSA-N 1 2 329.444 2.228 20 30 EEEDLO C=CCN(CC=C)c1nnc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC ZINC001121802975 1371925835 /nfs/dbraw/zinc/92/58/35/1371925835.db2.gz CFBYBQKDXVFXJE-HOTGVXAUSA-N 1 2 331.464 2.402 20 30 EEEDLO C=CCN(CC=C)c1nnc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC ZINC001121802975 1371925836 /nfs/dbraw/zinc/92/58/36/1371925836.db2.gz CFBYBQKDXVFXJE-HOTGVXAUSA-N 1 2 331.464 2.402 20 30 EEEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+](C1CC1)C1COC1 ZINC000830231696 1372321417 /nfs/dbraw/zinc/32/14/17/1372321417.db2.gz QEKFJZZYYFYZEJ-OAHLLOKOSA-N 1 2 334.379 2.087 20 30 EEEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+](C1CC1)C1COC1 ZINC000830231696 1372321424 /nfs/dbraw/zinc/32/14/24/1372321424.db2.gz QEKFJZZYYFYZEJ-OAHLLOKOSA-N 1 2 334.379 2.087 20 30 EEEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C#N)nc2)Cc2c1cnn2CC ZINC001140541475 1372597887 /nfs/dbraw/zinc/59/78/87/1372597887.db2.gz IRJKUIABDLVWHL-HNNXBMFYSA-N 1 2 325.416 2.306 20 30 EEEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C#N)nc2)Cc2c1cnn2CC ZINC001140541475 1372597893 /nfs/dbraw/zinc/59/78/93/1372597893.db2.gz IRJKUIABDLVWHL-HNNXBMFYSA-N 1 2 325.416 2.306 20 30 EEEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)nc2)Cc2nn(CC3CC3)cc21 ZINC001140541548 1372598372 /nfs/dbraw/zinc/59/83/72/1372598372.db2.gz KZDMQGWKHQVWNM-MRXNPFEDSA-N 1 2 337.427 2.306 20 30 EEEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)nc2)Cc2nn(CC3CC3)cc21 ZINC001140541548 1372598373 /nfs/dbraw/zinc/59/83/73/1372598373.db2.gz KZDMQGWKHQVWNM-MRXNPFEDSA-N 1 2 337.427 2.306 20 30 EEEDLO COc1ccnc(O[C@H]2CC[N@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC001141168835 1372766332 /nfs/dbraw/zinc/76/63/32/1372766332.db2.gz YSIVHBHMFLVWMI-HNNXBMFYSA-N 1 2 328.347 2.149 20 30 EEEDLO COc1ccnc(O[C@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC001141168835 1372766337 /nfs/dbraw/zinc/76/63/37/1372766337.db2.gz YSIVHBHMFLVWMI-HNNXBMFYSA-N 1 2 328.347 2.149 20 30 EEEDLO C=CC[C@@H](CC)NC(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001353684981 1373015848 /nfs/dbraw/zinc/01/58/48/1373015848.db2.gz IQFRXHDYJWQMBY-SJORKVTESA-N 1 2 340.427 2.212 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)COC2CCCC2)C1 ZINC001366956414 1374068611 /nfs/dbraw/zinc/06/86/11/1374068611.db2.gz GMVOEXMGCNIICQ-UHFFFAOYSA-N 1 2 327.428 2.065 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCC(=O)N(CC)CC)[C@@H]1C ZINC001369435070 1374538717 /nfs/dbraw/zinc/53/87/17/1374538717.db2.gz QXHUNENVYFJZJN-GJZGRUSLSA-N 1 2 343.899 2.357 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCC(=O)N(CC)CC)[C@@H]1C ZINC001369435070 1374538724 /nfs/dbraw/zinc/53/87/24/1374538724.db2.gz QXHUNENVYFJZJN-GJZGRUSLSA-N 1 2 343.899 2.357 20 30 EEEDLO Cc1ccc(-c2nc(C[N@@H+](C)CCNC(=O)[C@@H](C)C#N)co2)cc1 ZINC001371932615 1375676629 /nfs/dbraw/zinc/67/66/29/1375676629.db2.gz GGPHHHHAOGYWCD-AWEZNQCLSA-N 1 2 326.400 2.358 20 30 EEEDLO Cc1ccc(-c2nc(C[N@H+](C)CCNC(=O)[C@@H](C)C#N)co2)cc1 ZINC001371932615 1375676633 /nfs/dbraw/zinc/67/66/33/1375676633.db2.gz GGPHHHHAOGYWCD-AWEZNQCLSA-N 1 2 326.400 2.358 20 30 EEEDLO Cc1ccccc1OCC(=O)NCC[N@@H+](C)Cc1ccccc1C#N ZINC001372202020 1375852387 /nfs/dbraw/zinc/85/23/87/1375852387.db2.gz AUPPINFIZIHEIJ-UHFFFAOYSA-N 1 2 337.423 2.494 20 30 EEEDLO Cc1ccccc1OCC(=O)NCC[N@H+](C)Cc1ccccc1C#N ZINC001372202020 1375852394 /nfs/dbraw/zinc/85/23/94/1375852394.db2.gz AUPPINFIZIHEIJ-UHFFFAOYSA-N 1 2 337.423 2.494 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H](C)N(C)CC(F)(F)F)C1CC1 ZINC001372863466 1376252122 /nfs/dbraw/zinc/25/21/22/1376252122.db2.gz QUQSEERBAQFEAO-LLVKDONJSA-N 1 2 341.805 2.202 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H](C)N(C)CC(F)(F)F)C1CC1 ZINC001372863466 1376252127 /nfs/dbraw/zinc/25/21/27/1376252127.db2.gz QUQSEERBAQFEAO-LLVKDONJSA-N 1 2 341.805 2.202 20 30 EEEDLO Cc1nc(C(=O)NCC[N@H+](Cc2cc(C#N)ccc2F)C2CC2)co1 ZINC001377525380 1379335358 /nfs/dbraw/zinc/33/53/58/1379335358.db2.gz OEDIEZAMZSGZSY-UHFFFAOYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nc(C(=O)NCC[N@@H+](Cc2cc(C#N)ccc2F)C2CC2)co1 ZINC001377525380 1379335365 /nfs/dbraw/zinc/33/53/65/1379335365.db2.gz OEDIEZAMZSGZSY-UHFFFAOYSA-N 1 2 342.374 2.388 20 30 EEEDLO CC[C@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+][C@H](C)c1nc(C2CC2)no1 ZINC001378232200 1379810579 /nfs/dbraw/zinc/81/05/79/1379810579.db2.gz MOKNTGCCCNYWOF-ZWNOBZJWSA-N 1 2 342.403 2.006 20 30 EEEDLO C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[N@H+](C)Cc1cc(O)ccc1Cl ZINC001381501812 1381628595 /nfs/dbraw/zinc/62/85/95/1381628595.db2.gz CNHIGZHCTYTDKZ-NSHDSACASA-N 1 2 346.818 2.496 20 30 EEEDLO C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[N@@H+](C)Cc1cc(O)ccc1Cl ZINC001381501812 1381628602 /nfs/dbraw/zinc/62/86/02/1381628602.db2.gz CNHIGZHCTYTDKZ-NSHDSACASA-N 1 2 346.818 2.496 20 30 EEEDLO Cc1nnc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C(=O)C#CC(C)(C)C)C2)o1 ZINC001752708344 1406357262 /nfs/dbraw/zinc/35/72/62/1406357262.db2.gz ZXIKVBWXVGCDBI-CVEARBPZSA-N 1 2 344.459 2.240 20 30 EEEDLO Cc1nnc(C[N@H+]2CC[C@H]3[C@H](CCCN3C(=O)C#CC(C)(C)C)C2)o1 ZINC001752708344 1406357269 /nfs/dbraw/zinc/35/72/69/1406357269.db2.gz ZXIKVBWXVGCDBI-CVEARBPZSA-N 1 2 344.459 2.240 20 30 EEEDLO CC(C)C#CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC001752781364 1406396783 /nfs/dbraw/zinc/39/67/83/1406396783.db2.gz PXEQMLPNOJFCDL-GJZGRUSLSA-N 1 2 344.459 2.496 20 30 EEEDLO CC(C)C#CC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC001752781364 1406396795 /nfs/dbraw/zinc/39/67/95/1406396795.db2.gz PXEQMLPNOJFCDL-GJZGRUSLSA-N 1 2 344.459 2.496 20 30 EEEDLO CC(C)c1noc([C@H](C)[NH+]2CCC(C)(NC(=O)[C@H](C)C#N)CC2)n1 ZINC001393056574 1390296308 /nfs/dbraw/zinc/29/63/08/1390296308.db2.gz GDNYKXFRTJMKEF-OLZOCXBDSA-N 1 2 333.436 2.384 20 30 EEEDLO C=CCCC(=O)N(CC)[C@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccco2)C1 ZINC001753452894 1406745088 /nfs/dbraw/zinc/74/50/88/1406745088.db2.gz HHCZZKSJGCRBDP-CVEARBPZSA-N 1 2 347.459 2.346 20 30 EEEDLO C=CCCC(=O)N(CC)[C@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccco2)C1 ZINC001753452894 1406745096 /nfs/dbraw/zinc/74/50/96/1406745096.db2.gz HHCZZKSJGCRBDP-CVEARBPZSA-N 1 2 347.459 2.346 20 30 EEEDLO C#CCOCCC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001753455629 1406751521 /nfs/dbraw/zinc/75/15/21/1406751521.db2.gz MUMNOBGIDAGSMW-MRXNPFEDSA-N 1 2 347.459 2.261 20 30 EEEDLO C#CCOCCC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001753455629 1406751523 /nfs/dbraw/zinc/75/15/23/1406751523.db2.gz MUMNOBGIDAGSMW-MRXNPFEDSA-N 1 2 347.459 2.261 20 30 EEEDLO CC[N@H+](CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1nc(-c2cccs2)no1 ZINC001399697698 1395417011 /nfs/dbraw/zinc/41/70/11/1395417011.db2.gz ZZGDZANRGFRZET-RYUDHWBXSA-N 1 2 347.444 2.457 20 30 EEEDLO CC[N@@H+](CCNC(=O)[C@@H](C)C#N)[C@@H](C)c1nc(-c2cccs2)no1 ZINC001399697698 1395417015 /nfs/dbraw/zinc/41/70/15/1395417015.db2.gz ZZGDZANRGFRZET-RYUDHWBXSA-N 1 2 347.444 2.457 20 30 EEEDLO CCC[C@H](OC)C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001400518283 1396399379 /nfs/dbraw/zinc/39/93/79/1396399379.db2.gz WCHOARPXLWNIHD-KRWDZBQOSA-N 1 2 333.407 2.060 20 30 EEEDLO Cc1ccc(NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C#CC(C)C)c(C)c1 ZINC001754309485 1406886913 /nfs/dbraw/zinc/88/69/13/1406886913.db2.gz AHWHRLBCJZKKRX-QGZVFWFLSA-N 1 2 343.471 2.338 20 30 EEEDLO Cc1ccc(NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C#CC(C)C)c(C)c1 ZINC001754309485 1406886914 /nfs/dbraw/zinc/88/69/14/1406886914.db2.gz AHWHRLBCJZKKRX-QGZVFWFLSA-N 1 2 343.471 2.338 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1ccccc1NC(C)=O ZINC001401789897 1397572917 /nfs/dbraw/zinc/57/29/17/1397572917.db2.gz MXEPTDATRBRKFY-CYBMUJFWSA-N 1 2 337.851 2.377 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cc1ccccc1NC(C)=O ZINC001401789897 1397572921 /nfs/dbraw/zinc/57/29/21/1397572921.db2.gz MXEPTDATRBRKFY-CYBMUJFWSA-N 1 2 337.851 2.377 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnc2c(c1)c(C)nn2C ZINC001403154103 1398434168 /nfs/dbraw/zinc/43/41/68/1398434168.db2.gz MMLCOWSPOMIGAN-NSHDSACASA-N 1 2 335.839 2.079 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnc2c(c1)c(C)nn2C ZINC001403154103 1398434171 /nfs/dbraw/zinc/43/41/71/1398434171.db2.gz MMLCOWSPOMIGAN-NSHDSACASA-N 1 2 335.839 2.079 20 30 EEEDLO C[C@H]([NH2+]Cc1nncs1)c1ccc(CNC(=O)C#CC2CC2)cc1 ZINC001754947151 1407009815 /nfs/dbraw/zinc/00/98/15/1407009815.db2.gz GQAYTEVRXRVQCA-ZDUSSCGKSA-N 1 2 340.452 2.419 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnn2c1nc(C)cc2C ZINC001422545717 1400004251 /nfs/dbraw/zinc/00/42/51/1400004251.db2.gz JDZWGOASQIXZBO-ZDUSSCGKSA-N 1 2 335.839 2.149 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnn2c1nc(C)cc2C ZINC001422545717 1400004257 /nfs/dbraw/zinc/00/42/57/1400004257.db2.gz JDZWGOASQIXZBO-ZDUSSCGKSA-N 1 2 335.839 2.149 20 30 EEEDLO Cc1cc(C[NH+]2CC3(C2)C[C@@H](NC(=O)C#CC(C)C)CO3)c(C)s1 ZINC001755062523 1407072705 /nfs/dbraw/zinc/07/27/05/1407072705.db2.gz ZCGZKNJBNIELQN-QGZVFWFLSA-N 1 2 346.496 2.484 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)COc2ccccc2OC)C1 ZINC001422755021 1400181853 /nfs/dbraw/zinc/18/18/53/1400181853.db2.gz TVEGXCOBKVLFSL-CYBMUJFWSA-N 1 2 338.835 2.263 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccccc1C(=O)N(C)C ZINC001422916928 1400273024 /nfs/dbraw/zinc/27/30/24/1400273024.db2.gz BQIKUEDVVOLERR-CYBMUJFWSA-N 1 2 337.851 2.191 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1C(=O)N(C)C ZINC001422916928 1400273026 /nfs/dbraw/zinc/27/30/26/1400273026.db2.gz BQIKUEDVVOLERR-CYBMUJFWSA-N 1 2 337.851 2.191 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@](CO)([NH2+]Cc2coc(C)n2)C1 ZINC001755087573 1407101464 /nfs/dbraw/zinc/10/14/64/1407101464.db2.gz FOAHYCGNEHDREX-MSOLQXFVSA-N 1 2 335.448 2.028 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)Cc2ccoc2)cc1C#N ZINC001423074360 1400400364 /nfs/dbraw/zinc/40/03/64/1400400364.db2.gz KKWXSMZKZCBQFS-KRWDZBQOSA-N 1 2 339.395 2.093 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)Cc2ccoc2)cc1C#N ZINC001423074360 1400400365 /nfs/dbraw/zinc/40/03/65/1400400365.db2.gz KKWXSMZKZCBQFS-KRWDZBQOSA-N 1 2 339.395 2.093 20 30 EEEDLO C[C@H](NC(=O)C[C@H]1CCOC1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001425243264 1401525829 /nfs/dbraw/zinc/52/58/29/1401525829.db2.gz ZEWGHXGAGZSGNK-DZGCQCFKSA-N 1 2 345.418 2.060 20 30 EEEDLO CC(C)n1ccc(C[N@H+](C)CCOCCNC(=O)C#CC(C)(C)C)n1 ZINC001755543525 1407617147 /nfs/dbraw/zinc/61/71/47/1407617147.db2.gz ADJPGDKDKWOBOH-UHFFFAOYSA-N 1 2 348.491 2.078 20 30 EEEDLO CC(C)n1ccc(C[N@@H+](C)CCOCCNC(=O)C#CC(C)(C)C)n1 ZINC001755543525 1407617154 /nfs/dbraw/zinc/61/71/54/1407617154.db2.gz ADJPGDKDKWOBOH-UHFFFAOYSA-N 1 2 348.491 2.078 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H](C)[NH2+]Cc2nnc(C3CC3)o2)cc1 ZINC001755598441 1407667790 /nfs/dbraw/zinc/66/77/90/1407667790.db2.gz HCQMUXPPJXTXGZ-CYBMUJFWSA-N 1 2 338.411 2.179 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1noc(-c2ccoc2)n1 ZINC001755599885 1407671436 /nfs/dbraw/zinc/67/14/36/1407671436.db2.gz LTAULGCUFHOBAD-GFCCVEGCSA-N 1 2 332.404 2.478 20 30 EEEDLO C#CCCCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1ncc(C)cn1)CC2 ZINC001755699908 1407747957 /nfs/dbraw/zinc/74/79/57/1407747957.db2.gz YYUJFDCSBRVNER-LPHOPBHVSA-N 1 2 326.444 2.202 20 30 EEEDLO C#CCCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1ncc(C)cn1)CC2 ZINC001755699908 1407747960 /nfs/dbraw/zinc/74/79/60/1407747960.db2.gz YYUJFDCSBRVNER-LPHOPBHVSA-N 1 2 326.444 2.202 20 30 EEEDLO CCc1nc(C)c(C(=O)N[C@H]2CCC[N@H+](CC#CCOC)[C@H]2C)s1 ZINC001755722844 1407782383 /nfs/dbraw/zinc/78/23/83/1407782383.db2.gz OYOJDOJRLALURK-GJZGRUSLSA-N 1 2 349.500 2.246 20 30 EEEDLO CCc1nc(C)c(C(=O)N[C@H]2CCC[N@@H+](CC#CCOC)[C@H]2C)s1 ZINC001755722844 1407782385 /nfs/dbraw/zinc/78/23/85/1407782385.db2.gz OYOJDOJRLALURK-GJZGRUSLSA-N 1 2 349.500 2.246 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NCC3CCC3)[C@@H]2C)C1 ZINC001755724196 1407785626 /nfs/dbraw/zinc/78/56/26/1407785626.db2.gz USCVCXZUSCARIB-NVXWUHKLSA-N 1 2 347.503 2.228 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NCC3CCC3)[C@@H]2C)C1 ZINC001755724196 1407785632 /nfs/dbraw/zinc/78/56/32/1407785632.db2.gz USCVCXZUSCARIB-NVXWUHKLSA-N 1 2 347.503 2.228 20 30 EEEDLO Cc1nnc(C[NH+]2CCC([C@@H](C)NC(=O)C#CC(C)C)CC2)s1 ZINC001755843533 1407894235 /nfs/dbraw/zinc/89/42/35/1407894235.db2.gz LTKHLWFRHVPNKF-CYBMUJFWSA-N 1 2 334.489 2.223 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001755927225 1408003116 /nfs/dbraw/zinc/00/31/16/1408003116.db2.gz 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N#Cc1ccc(NC[C@@H]2CC[C@@H](NC(=O)CCc3[nH]cc[nH+]3)C2)cn1 ZINC001123805521 1410313397 /nfs/dbraw/zinc/31/33/97/1410313397.db2.gz NXJYDGFEUMQRIR-ZIAGYGMSSA-N 1 2 338.415 2.006 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[C@@H](C)CC)C2 ZINC001110597467 1410826156 /nfs/dbraw/zinc/82/61/56/1410826156.db2.gz DFQTWCUUAMVQSQ-MLHJIOFPSA-N 1 2 347.503 2.064 20 30 EEEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[C@@H](C)CC)C2 ZINC001110597467 1410826167 /nfs/dbraw/zinc/82/61/67/1410826167.db2.gz DFQTWCUUAMVQSQ-MLHJIOFPSA-N 1 2 347.503 2.064 20 30 EEEDLO CC#CCCCC(=O)N[C@@H](C)CCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001115045284 1410960175 /nfs/dbraw/zinc/96/01/75/1410960175.db2.gz NWWFWLLINGVYIO-AWEZNQCLSA-N 1 2 346.479 2.136 20 30 EEEDLO CC(C)c1nnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)s1 ZINC001087909360 782535351 /nfs/dbraw/zinc/53/53/51/782535351.db2.gz JNTIMISLNZMVEV-MJBXVCDLSA-N 1 2 347.488 2.101 20 30 EEEDLO CC(C)c1nnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)s1 ZINC001087909360 782535355 /nfs/dbraw/zinc/53/53/55/782535355.db2.gz JNTIMISLNZMVEV-MJBXVCDLSA-N 1 2 347.488 2.101 20 30 EEEDLO C#CCO[C@H](C)C(=O)N(C)CCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001109529566 805624068 /nfs/dbraw/zinc/62/40/68/805624068.db2.gz SXEGFVOURBTADO-OAHLLOKOSA-N 1 2 332.448 2.207 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(C)C[C@@H](O)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001125272380 756976707 /nfs/dbraw/zinc/97/67/07/756976707.db2.gz RHBYUICJEBAHGG-IAGOWNOFSA-N 1 2 348.491 2.260 20 30 EEEDLO Cc1nsc(NC[C@H](C)CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1C#N ZINC001104233888 757368874 /nfs/dbraw/zinc/36/88/74/757368874.db2.gz JEYPMZJJSAUBHY-MNOVXSKESA-N 1 2 346.460 2.089 20 30 EEEDLO Cc1nsc(NC[C@H](C)CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1C#N ZINC001104233888 757368886 /nfs/dbraw/zinc/36/88/86/757368886.db2.gz JEYPMZJJSAUBHY-MNOVXSKESA-N 1 2 346.460 2.089 20 30 EEEDLO Cc1nc(NC[C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)ccc1C#N ZINC001104238440 757409989 /nfs/dbraw/zinc/40/99/89/757409989.db2.gz JCRKUUXPAFYWKL-UONOGXRCSA-N 1 2 340.431 2.274 20 30 EEEDLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CNc1cccc(F)c1C#N ZINC001104258830 757758827 /nfs/dbraw/zinc/75/88/27/757758827.db2.gz QQSGKDAFKLGGLW-JHJVBQTASA-N 1 2 341.390 2.388 20 30 EEEDLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CNc1cccc(F)c1C#N ZINC001104258830 757758830 /nfs/dbraw/zinc/75/88/30/757758830.db2.gz QQSGKDAFKLGGLW-JHJVBQTASA-N 1 2 341.390 2.388 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001098552137 759661418 /nfs/dbraw/zinc/66/14/18/759661418.db2.gz SLAKCEZTTCVMIP-JKSUJKDBSA-N 1 2 344.459 2.207 20 30 EEEDLO C#Cc1ccc(C(=O)N(CCN(C)c2cc[nH+]c(C)n2)C(C)C)cn1 ZINC001125551115 760038834 /nfs/dbraw/zinc/03/88/34/760038834.db2.gz JWKALMXKGSSYAI-UHFFFAOYSA-N 1 2 337.427 2.148 20 30 EEEDLO N#CCN1CCC[C@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001075457254 760814359 /nfs/dbraw/zinc/81/43/59/760814359.db2.gz OAERPBKMSBEZBF-KRWDZBQOSA-N 1 2 343.475 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N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3ccoc3)CC2)s1 ZINC000981029175 776361967 /nfs/dbraw/zinc/36/19/67/776361967.db2.gz XFPOLRGKXSVGPE-UHFFFAOYSA-N 1 2 329.425 2.490 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1CC ZINC001028042151 776733174 /nfs/dbraw/zinc/73/31/74/776733174.db2.gz HOMYWNJDNLMILT-MJBXVCDLSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1CC ZINC001028042151 776733188 /nfs/dbraw/zinc/73/31/88/776733188.db2.gz HOMYWNJDNLMILT-MJBXVCDLSA-N 1 2 345.281 2.291 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)c3cc[nH]c3)CC2)ccc1F ZINC000981211423 776827169 /nfs/dbraw/zinc/82/71/69/776827169.db2.gz SXBVPUGZLDXKBK-UHFFFAOYSA-N 1 2 326.375 2.374 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)c3cc[nH]c3)CC2)ccc1F ZINC000981211423 776827182 /nfs/dbraw/zinc/82/71/82/776827182.db2.gz SXBVPUGZLDXKBK-UHFFFAOYSA-N 1 2 326.375 2.374 20 30 EEEDLO COC1CC(C(=O)N2CCC[N@H+](Cc3ccc(F)c(C#N)c3)CC2)C1 ZINC000981408259 777335992 /nfs/dbraw/zinc/33/59/92/777335992.db2.gz HSRPLKJTGZBWAW-UHFFFAOYSA-N 1 2 345.418 2.157 20 30 EEEDLO COC1CC(C(=O)N2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)CC2)C1 ZINC000981408259 777335995 /nfs/dbraw/zinc/33/59/95/777335995.db2.gz HSRPLKJTGZBWAW-UHFFFAOYSA-N 1 2 345.418 2.157 20 30 EEEDLO CO[C@@H]1CCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000981486884 777501527 /nfs/dbraw/zinc/50/15/27/777501527.db2.gz PBNRBRQXXOJMLU-RBUKOAKNSA-N 1 2 341.455 2.408 20 30 EEEDLO CO[C@@H]1CCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000981486884 777501532 /nfs/dbraw/zinc/50/15/32/777501532.db2.gz PBNRBRQXXOJMLU-RBUKOAKNSA-N 1 2 341.455 2.408 20 30 EEEDLO C[C@@H]1CO[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3F)CC2)C1 ZINC000981645953 777906266 /nfs/dbraw/zinc/90/62/66/777906266.db2.gz HNPMYJFBEQSJRQ-KBXCAEBGSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1CO[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3F)CC2)C1 ZINC000981645953 777906273 /nfs/dbraw/zinc/90/62/73/777906273.db2.gz HNPMYJFBEQSJRQ-KBXCAEBGSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](Cc1cnc(Cl)s1)C2 ZINC000981671727 777953824 /nfs/dbraw/zinc/95/38/24/777953824.db2.gz FYLAWYNQUXJMGN-NSHDSACASA-N 1 2 338.864 2.381 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](Cc1cnc(Cl)s1)C2 ZINC000981671727 777953833 /nfs/dbraw/zinc/95/38/33/777953833.db2.gz FYLAWYNQUXJMGN-NSHDSACASA-N 1 2 338.864 2.381 20 30 EEEDLO Cc1n[nH]cc1C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000981723578 778075184 /nfs/dbraw/zinc/07/51/84/778075184.db2.gz CLJOVGDLMWFUHF-UHFFFAOYSA-N 1 2 341.390 2.077 20 30 EEEDLO Cc1n[nH]cc1C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000981723578 778075195 /nfs/dbraw/zinc/07/51/95/778075195.db2.gz CLJOVGDLMWFUHF-UHFFFAOYSA-N 1 2 341.390 2.077 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)c2cccnc2-n2cccn2)CC1 ZINC000981728115 778108496 /nfs/dbraw/zinc/10/84/96/778108496.db2.gz RYXNFNNOGFQEPC-UHFFFAOYSA-N 1 2 345.834 2.168 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)c2cccnc2-n2cccn2)CC1 ZINC000981728115 778108500 /nfs/dbraw/zinc/10/85/00/778108500.db2.gz RYXNFNNOGFQEPC-UHFFFAOYSA-N 1 2 345.834 2.168 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC001028142642 778401765 /nfs/dbraw/zinc/40/17/65/778401765.db2.gz QFLHNHDJNPAJNR-XHSDSOJGSA-N 1 2 345.443 2.224 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ncc(C2CC2)o1 ZINC001028142642 778401767 /nfs/dbraw/zinc/40/17/67/778401767.db2.gz QFLHNHDJNPAJNR-XHSDSOJGSA-N 1 2 345.443 2.224 20 30 EEEDLO COc1ncccc1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981869701 778422112 /nfs/dbraw/zinc/42/21/12/778422112.db2.gz XMRHHAMSIRTXMO-UHFFFAOYSA-N 1 2 349.434 2.290 20 30 EEEDLO COc1ncccc1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981869701 778422114 /nfs/dbraw/zinc/42/21/14/778422114.db2.gz XMRHHAMSIRTXMO-UHFFFAOYSA-N 1 2 349.434 2.290 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1nn(C)c(C)c1Cl ZINC001028172947 778680990 /nfs/dbraw/zinc/68/09/90/778680990.db2.gz FDJWUTVULFFAMC-NSHDSACASA-N 1 2 331.247 2.329 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1nn(C)c(C)c1Cl ZINC001028172947 778680997 /nfs/dbraw/zinc/68/09/97/778680997.db2.gz FDJWUTVULFFAMC-NSHDSACASA-N 1 2 331.247 2.329 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(CC)CCNc1[nH+]cnc2c1cnn2C ZINC001106923651 778777213 /nfs/dbraw/zinc/77/72/13/778777213.db2.gz DLUJDICYWWILLX-CHWSQXEVSA-N 1 2 330.436 2.082 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CCC[N@@H+]([C@@H](C)c1nncn1C)C2 ZINC000981987630 778778128 /nfs/dbraw/zinc/77/81/28/778778128.db2.gz GJSASLGDHQNSAE-MAUKXSAKSA-N 1 2 345.491 2.403 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CCC[N@H+]([C@@H](C)c1nncn1C)C2 ZINC000981987630 778778134 /nfs/dbraw/zinc/77/81/34/778778134.db2.gz GJSASLGDHQNSAE-MAUKXSAKSA-N 1 2 345.491 2.403 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[N@H+](Cc3ccccc3C#N)CC2)O1 ZINC000982000796 778830251 /nfs/dbraw/zinc/83/02/51/778830251.db2.gz WRQVLHYEFXFSNY-CRAIPNDOSA-N 1 2 327.428 2.160 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)O1 ZINC000982000796 778830258 /nfs/dbraw/zinc/83/02/58/778830258.db2.gz WRQVLHYEFXFSNY-CRAIPNDOSA-N 1 2 327.428 2.160 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]ncc1Br ZINC001028203906 778904136 /nfs/dbraw/zinc/90/41/36/778904136.db2.gz FLPZGGXGCPCRSQ-VIFPVBQESA-N 1 2 347.644 2.119 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1[nH]ncc1Br ZINC001028203906 778904144 /nfs/dbraw/zinc/90/41/44/778904144.db2.gz FLPZGGXGCPCRSQ-VIFPVBQESA-N 1 2 347.644 2.119 20 30 EEEDLO CC(C)c1noc(C[N@@H+]2C[C@@]3(C)CN(C(=O)[C@H](C)C#N)C[C@@]3(C)C2)n1 ZINC000982237336 779363973 /nfs/dbraw/zinc/36/39/73/779363973.db2.gz ZVPRQRJVGBSCJH-XWIAVFTESA-N 1 2 345.447 2.023 20 30 EEEDLO CC(C)c1noc(C[N@H+]2C[C@@]3(C)CN(C(=O)[C@H](C)C#N)C[C@@]3(C)C2)n1 ZINC000982237336 779363979 /nfs/dbraw/zinc/36/39/79/779363979.db2.gz ZVPRQRJVGBSCJH-XWIAVFTESA-N 1 2 345.447 2.023 20 30 EEEDLO Cc1nc(C[N@@H+]2C[C@@]3(C)CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)co1 ZINC000982278407 779501592 /nfs/dbraw/zinc/50/15/92/779501592.db2.gz BEJIHKGNAONFFM-KDURUIRLSA-N 1 2 327.428 2.067 20 30 EEEDLO Cc1nc(C[N@H+]2C[C@@]3(C)CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)co1 ZINC000982278407 779501596 /nfs/dbraw/zinc/50/15/96/779501596.db2.gz BEJIHKGNAONFFM-KDURUIRLSA-N 1 2 327.428 2.067 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2nc(C)c(C)o2)cn1 ZINC001028271292 779846724 /nfs/dbraw/zinc/84/67/24/779846724.db2.gz DDROATFIUJJKIU-KRWDZBQOSA-N 1 2 338.411 2.062 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2nc(C)c(C)o2)cn1 ZINC001028271292 779846731 /nfs/dbraw/zinc/84/67/31/779846731.db2.gz DDROATFIUJJKIU-KRWDZBQOSA-N 1 2 338.411 2.062 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@]2(C)C[N@@H+](Cc3cnn(CC)n3)C[C@]2(C)C1 ZINC000982428497 780103534 /nfs/dbraw/zinc/10/35/34/780103534.db2.gz INHRBLYWFFNEME-KDURUIRLSA-N 1 2 345.491 2.181 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@]2(C)C[N@H+](Cc3cnn(CC)n3)C[C@]2(C)C1 ZINC000982428497 780103538 /nfs/dbraw/zinc/10/35/38/780103538.db2.gz INHRBLYWFFNEME-KDURUIRLSA-N 1 2 345.491 2.181 20 30 EEEDLO CCOC(=O)c1c(F)cc(NC(=[NH2+])c2ccc(C(N)=O)cc2)cc1F ZINC001171258973 790777230 /nfs/dbraw/zinc/77/72/30/790777230.db2.gz SZOHPOHNGCSSAX-UHFFFAOYSA-N 1 2 347.321 2.277 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)nc2cc(C)nn21 ZINC001028326321 780755386 /nfs/dbraw/zinc/75/53/86/780755386.db2.gz LCGPURFAMWAMKA-CQSZACIVSA-N 1 2 347.850 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)nc2cc(C)nn21 ZINC001028326321 780755392 /nfs/dbraw/zinc/75/53/92/780755392.db2.gz LCGPURFAMWAMKA-CQSZACIVSA-N 1 2 347.850 2.293 20 30 EEEDLO C#Cc1cncc(C(=O)NCC2C[NH+](Cc3ccc(F)c(F)c3)C2)c1 ZINC001031963052 780784494 /nfs/dbraw/zinc/78/44/94/780784494.db2.gz CQYDGXSYLHSXIT-UHFFFAOYSA-N 1 2 341.361 2.203 20 30 EEEDLO N#Cc1ccc(F)cc1CN1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001030527803 790829372 /nfs/dbraw/zinc/82/93/72/790829372.db2.gz VDZANPATKILEMK-UHFFFAOYSA-N 1 2 349.369 2.188 20 30 EEEDLO Cc1cc(N(C)CCN(C)C(=O)c2c[nH]c(C#N)c2)nc(C2CC2)[nH+]1 ZINC001105368349 780854335 /nfs/dbraw/zinc/85/43/35/780854335.db2.gz LDGGBSHYQBIRBH-UHFFFAOYSA-N 1 2 338.415 2.071 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2conc2C)C1 ZINC001087458179 780899605 /nfs/dbraw/zinc/89/96/05/780899605.db2.gz NTTQYRXTSKFDNE-SJLPKXTDSA-N 1 2 341.386 2.343 20 30 EEEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2conc2C)C1 ZINC001087458179 780899611 /nfs/dbraw/zinc/89/96/11/780899611.db2.gz NTTQYRXTSKFDNE-SJLPKXTDSA-N 1 2 341.386 2.343 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccsn2)[C@H](C)C1 ZINC000942171780 781886403 /nfs/dbraw/zinc/88/64/03/781886403.db2.gz DVJDZAUVXKLLHD-KOLCDFICSA-N 1 2 344.278 2.492 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccsn2)[C@H](C)C1 ZINC000942171780 781886405 /nfs/dbraw/zinc/88/64/05/781886405.db2.gz DVJDZAUVXKLLHD-KOLCDFICSA-N 1 2 344.278 2.492 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nn(C)cc2Cl)[C@H]1CC ZINC001087584762 781892655 /nfs/dbraw/zinc/89/26/55/781892655.db2.gz WCPPZROFIPHFID-NWDGAFQWSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nn(C)cc2Cl)[C@H]1CC ZINC001087584762 781892664 /nfs/dbraw/zinc/89/26/64/781892664.db2.gz WCPPZROFIPHFID-NWDGAFQWSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnc3cc(OC)ccn32)C1 ZINC001033265829 783257976 /nfs/dbraw/zinc/25/79/76/783257976.db2.gz NRYQSMZZZBYLRI-ZDUSSCGKSA-N 1 2 348.834 2.242 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnc3cc(OC)ccn32)C1 ZINC001033265829 783257985 /nfs/dbraw/zinc/25/79/85/783257985.db2.gz NRYQSMZZZBYLRI-ZDUSSCGKSA-N 1 2 348.834 2.242 20 30 EEEDLO CCCCc1nc(C[NH2+][C@H]2CCCCCN(C(=O)[C@H](C)C#N)C2)no1 ZINC001088280435 783346012 /nfs/dbraw/zinc/34/60/12/783346012.db2.gz QVBXTWAKEGLAPW-CABCVRRESA-N 1 2 347.463 2.433 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2coc(C)n2)C1 ZINC001131938384 783493657 /nfs/dbraw/zinc/49/36/57/783493657.db2.gz GJJQPEPHPJTZTC-GOEBONIOSA-N 1 2 335.448 2.435 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2coc(C)n2)C1 ZINC001131938384 783493663 /nfs/dbraw/zinc/49/36/63/783493663.db2.gz GJJQPEPHPJTZTC-GOEBONIOSA-N 1 2 335.448 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C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001035612666 784850327 /nfs/dbraw/zinc/85/03/27/784850327.db2.gz CTMWTBOIWRTMKB-GOSISDBHSA-N 1 2 330.428 2.092 20 30 EEEDLO CC(C)=CC(=O)NC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001149118064 791078594 /nfs/dbraw/zinc/07/85/94/791078594.db2.gz YLNJSIPVXQNNTO-QGZVFWFLSA-N 1 2 345.418 2.371 20 30 EEEDLO CC(C)=CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC001149118064 791078603 /nfs/dbraw/zinc/07/86/03/791078603.db2.gz YLNJSIPVXQNNTO-QGZVFWFLSA-N 1 2 345.418 2.371 20 30 EEEDLO CC(C)c1nsc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@]3(C)C2)n1 ZINC001091545980 791104971 /nfs/dbraw/zinc/10/49/71/791104971.db2.gz XMRSCHMLKSKBSD-AHIWAGSCSA-N 1 2 347.488 2.101 20 30 EEEDLO CC(C)c1nsc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@]3(C)C2)n1 ZINC001091545980 791104975 /nfs/dbraw/zinc/10/49/75/791104975.db2.gz XMRSCHMLKSKBSD-AHIWAGSCSA-N 1 2 347.488 2.101 20 30 EEEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCC[C@@H](C)CCC)nn2)C1 ZINC001107176952 786208446 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339.439 2.376 20 30 EEEDLO C#CC(=O)N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001143907198 789014458 /nfs/dbraw/zinc/01/44/58/789014458.db2.gz MHSWHAJVPXDYGF-UHFFFAOYSA-N 1 2 348.450 2.337 20 30 EEEDLO C#CC(=O)N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001143907198 789014471 /nfs/dbraw/zinc/01/44/71/789014471.db2.gz MHSWHAJVPXDYGF-UHFFFAOYSA-N 1 2 348.450 2.337 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C2CC[NH+]([C@H](C)c3nncn3C)CC2)C1 ZINC001005963252 789037309 /nfs/dbraw/zinc/03/73/09/789037309.db2.gz FQKMKVRAHOEANH-CQSZACIVSA-N 1 2 331.464 2.155 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C2CC[NH+]([C@@H](C)c3nnc(C)[nH]3)CC2)C1 ZINC001005966860 789055446 /nfs/dbraw/zinc/05/54/46/789055446.db2.gz VDPXNYBPSYWAHP-ZDUSSCGKSA-N 1 2 331.464 2.453 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C2CC[NH+](Cc3coc(C)n3)CC2)c1 ZINC001005967971 789064314 /nfs/dbraw/zinc/06/43/14/789064314.db2.gz HRIVHOYIZITVIP-UHFFFAOYSA-N 1 2 338.411 2.096 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)[C@H](C)C(C)C)CC2)C1 ZINC001105726290 789263872 /nfs/dbraw/zinc/26/38/72/789263872.db2.gz IJXBWOZKZPQZRQ-MRXNPFEDSA-N 1 2 338.492 2.173 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)C(C)C)CC2)C1 ZINC001105726289 789264243 /nfs/dbraw/zinc/26/42/43/789264243.db2.gz IJXBWOZKZPQZRQ-INIZCTEOSA-N 1 2 338.492 2.173 20 30 EEEDLO COc1ccc(C[N@@H+]2CCO[C@@](C)(CNC(=O)C#CC(C)C)C2)cc1 ZINC001107926933 789337348 /nfs/dbraw/zinc/33/73/48/789337348.db2.gz QCMMTRYBDZZSMS-FQEVSTJZSA-N 1 2 344.455 2.062 20 30 EEEDLO COc1ccc(C[N@H+]2CCO[C@@](C)(CNC(=O)C#CC(C)C)C2)cc1 ZINC001107926933 789337352 /nfs/dbraw/zinc/33/73/52/789337352.db2.gz QCMMTRYBDZZSMS-FQEVSTJZSA-N 1 2 344.455 2.062 20 30 EEEDLO C=CCCOCCCCC(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001127124738 789461822 /nfs/dbraw/zinc/46/18/22/789461822.db2.gz LHDZXNGOEVPNFC-UHFFFAOYSA-N 1 2 338.452 2.162 20 30 EEEDLO C#CC[C@@H](CCOC)NC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000923486829 789637636 /nfs/dbraw/zinc/63/76/36/789637636.db2.gz KIKAPVYXOVRLOY-HNNXBMFYSA-N 1 2 330.432 2.096 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C1 ZINC000923573502 789800104 /nfs/dbraw/zinc/80/01/04/789800104.db2.gz PZLAGUOGXHVELL-SFHVURJKSA-N 1 2 335.407 2.073 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C1 ZINC000923573502 789800105 /nfs/dbraw/zinc/80/01/05/789800105.db2.gz PZLAGUOGXHVELL-SFHVURJKSA-N 1 2 335.407 2.073 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000923586331 789829609 /nfs/dbraw/zinc/82/96/09/789829609.db2.gz ZJVSGJIYMSOFPT-CYBMUJFWSA-N 1 2 327.340 2.168 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000923586331 789829616 /nfs/dbraw/zinc/82/96/16/789829616.db2.gz ZJVSGJIYMSOFPT-CYBMUJFWSA-N 1 2 327.340 2.168 20 30 EEEDLO C[C@H](CC(=O)[C@H](C#N)C(=O)NCc1ccc(F)cc1F)n1cc[nH+]c1 ZINC000845526080 789831749 /nfs/dbraw/zinc/83/17/49/789831749.db2.gz CCRYAAGRMUCREE-RISCZKNCSA-N 1 2 346.337 2.138 20 30 EEEDLO C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001107957127 789858725 /nfs/dbraw/zinc/85/87/25/789858725.db2.gz UTPDHRYVDYBILH-YPMHNXCESA-N 1 2 326.334 2.060 20 30 EEEDLO C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001107957127 789858731 /nfs/dbraw/zinc/85/87/31/789858731.db2.gz UTPDHRYVDYBILH-YPMHNXCESA-N 1 2 326.334 2.060 20 30 EEEDLO C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001107957127 789858737 /nfs/dbraw/zinc/85/87/37/789858737.db2.gz UTPDHRYVDYBILH-YPMHNXCESA-N 1 2 326.334 2.060 20 30 EEEDLO C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001107957127 789858743 /nfs/dbraw/zinc/85/87/43/789858743.db2.gz UTPDHRYVDYBILH-YPMHNXCESA-N 1 2 326.334 2.060 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079042204 789899947 /nfs/dbraw/zinc/89/99/47/789899947.db2.gz WMBYXZOIGHHRIF-DOTOQJQBSA-N 1 2 346.475 2.394 20 30 EEEDLO C=CCC1(C(=O)N2CC[C@H](CCNC(=O)Cc3c[nH]c[nH+]3)C2)CCC1 ZINC001060335219 790190649 /nfs/dbraw/zinc/19/06/49/790190649.db2.gz FPLDZBLMESYRHB-HNNXBMFYSA-N 1 2 344.459 2.053 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cc(Cl)cn1 ZINC001032557574 791216464 /nfs/dbraw/zinc/21/64/64/791216464.db2.gz NIOGPDZYVLBJQB-GJZGRUSLSA-N 1 2 336.867 2.424 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cc(Cl)cn1 ZINC001032557574 791216471 /nfs/dbraw/zinc/21/64/71/791216471.db2.gz NIOGPDZYVLBJQB-GJZGRUSLSA-N 1 2 336.867 2.424 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001106067245 791283795 /nfs/dbraw/zinc/28/37/95/791283795.db2.gz SRAIFIWKPQQRFW-HUUCEWRRSA-N 1 2 346.475 2.155 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCCOC2)[C@H]1C ZINC001088944805 791687867 /nfs/dbraw/zinc/68/78/67/791687867.db2.gz BJEYNYHVLFVZIH-VNHYZAJKSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCCOC2)[C@H]1C ZINC001088944805 791687870 /nfs/dbraw/zinc/68/78/70/791687870.db2.gz BJEYNYHVLFVZIH-VNHYZAJKSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@@H](C)CSC)C2)C1 ZINC001147225758 791761914 /nfs/dbraw/zinc/76/19/14/791761914.db2.gz VLNMMQITCPQBRW-NSHDSACASA-N 1 2 347.322 2.428 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C)CSC)C2)C1 ZINC001147225758 791761916 /nfs/dbraw/zinc/76/19/16/791761916.db2.gz VLNMMQITCPQBRW-NSHDSACASA-N 1 2 347.322 2.428 20 30 EEEDLO C=CCCC1(C(=O)NC[C@@H](O)CNc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001106079546 791799046 /nfs/dbraw/zinc/79/90/46/791799046.db2.gz ALBRMKNXKGYUGZ-HNNXBMFYSA-N 1 2 344.459 2.298 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106081021 791843813 /nfs/dbraw/zinc/84/38/13/791843813.db2.gz VNPDGBILTGZVSH-KDOFPFPSSA-N 1 2 334.464 2.400 20 30 EEEDLO C=CCCOCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccon1)C2 ZINC001147546971 791861970 /nfs/dbraw/zinc/86/19/70/791861970.db2.gz MJFHXIIKCKPWNS-UHFFFAOYSA-N 1 2 347.459 2.472 20 30 EEEDLO C=CCCOCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccon1)C2 ZINC001147546971 791861974 /nfs/dbraw/zinc/86/19/74/791861974.db2.gz MJFHXIIKCKPWNS-UHFFFAOYSA-N 1 2 347.459 2.472 20 30 EEEDLO CCN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@H]1CCCN(CC#N)CC1 ZINC000998114246 791994351 /nfs/dbraw/zinc/99/43/51/791994351.db2.gz FDQPEEISEUVHFX-LSDHHAIUSA-N 1 2 329.448 2.056 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@]2(NC(=O)c3cnco3)CCC[C@H]12 ZINC000992008422 792284812 /nfs/dbraw/zinc/28/48/12/792284812.db2.gz CUCNLVDAACWZSX-JSGCOSHPSA-N 1 2 340.221 2.310 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@]2(NC(=O)c3cnco3)CCC[C@H]12 ZINC000992008422 792284819 /nfs/dbraw/zinc/28/48/19/792284819.db2.gz CUCNLVDAACWZSX-JSGCOSHPSA-N 1 2 340.221 2.310 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCOc2cccc(C)c2C)C1 ZINC001107983596 792469996 /nfs/dbraw/zinc/46/99/96/792469996.db2.gz OOVMUIFNCYPVFC-FQEVSTJZSA-N 1 2 346.471 2.465 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCOc2cccc(C)c2C)C1 ZINC001107983596 792470001 /nfs/dbraw/zinc/47/00/01/792470001.db2.gz OOVMUIFNCYPVFC-FQEVSTJZSA-N 1 2 346.471 2.465 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCCC[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001064188588 792646064 /nfs/dbraw/zinc/64/60/64/792646064.db2.gz NDPHQEUOFNQNMG-DYVFJYSZSA-N 1 2 338.415 2.006 20 30 EEEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H](O)c3ccc(CC)cc3)C2)cc1 ZINC001030776218 792763837 /nfs/dbraw/zinc/76/38/37/792763837.db2.gz AAEYDFQYAOADIO-OAQYLSRUSA-N 1 2 348.446 2.378 20 30 EEEDLO CCc1cnc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)C#CC2CC2)o1 ZINC001089175552 793094135 /nfs/dbraw/zinc/09/41/35/793094135.db2.gz WWNIULWKSRZNKA-INIZCTEOSA-N 1 2 329.444 2.463 20 30 EEEDLO CCc1cnc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)C#CC2CC2)o1 ZINC001089175552 793094146 /nfs/dbraw/zinc/09/41/46/793094146.db2.gz WWNIULWKSRZNKA-INIZCTEOSA-N 1 2 329.444 2.463 20 30 EEEDLO C#CCCCCCC(=O)N(C)CCOCCN(C)c1cc[nH+]c(C)n1 ZINC001091898588 793430983 /nfs/dbraw/zinc/43/09/83/793430983.db2.gz SBJGVQVPKYLWMP-UHFFFAOYSA-N 1 2 346.475 2.280 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC001107987826 793438108 /nfs/dbraw/zinc/43/81/08/793438108.db2.gz SSQQHGQKQAGCDG-IBGZPJMESA-N 1 2 340.427 2.083 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC001107987826 793438112 /nfs/dbraw/zinc/43/81/12/793438112.db2.gz SSQQHGQKQAGCDG-IBGZPJMESA-N 1 2 340.427 2.083 20 30 EEEDLO N#Cc1ccc(NC[C@H](NC(=O)c2cccc3[nH+]ccn32)C2CC2)cn1 ZINC001109940080 806252026 /nfs/dbraw/zinc/25/20/26/806252026.db2.gz HOCQPLYEQKWGCS-INIZCTEOSA-N 1 2 346.394 2.221 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1O ZINC001092171953 793636154 /nfs/dbraw/zinc/63/61/54/793636154.db2.gz BEZDVKXIVHHRST-JKSUJKDBSA-N 1 2 344.459 2.075 20 30 EEEDLO C=C1CCC(C(=O)NC2C[NH+](C[C@@H](O)Cc3ccccc3)C2)CC1 ZINC001030900539 793705710 /nfs/dbraw/zinc/70/57/10/793705710.db2.gz TUDHIBMWQKMOHH-IBGZPJMESA-N 1 2 328.456 2.137 20 30 EEEDLO Cc1nsc(N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H](C)C2)c1C#N ZINC001064785673 793729543 /nfs/dbraw/zinc/72/95/43/793729543.db2.gz QMQVDCVUJQBHBP-WCQYABFASA-N 1 2 344.444 2.011 20 30 EEEDLO C[C@@H]1C[C@H](Nc2ccc(C#N)cn2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001064815793 793809136 /nfs/dbraw/zinc/80/91/36/793809136.db2.gz GQKLAJCXNDFABI-GDBMZVCRSA-N 1 2 338.415 2.031 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3cnccc3o1)c1nccn12 ZINC001092380412 793874651 /nfs/dbraw/zinc/87/46/51/793874651.db2.gz YIUKOTRGVHPAHM-AWEZNQCLSA-N 1 2 349.394 2.096 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C)cc1C)c1nccn12 ZINC001092411130 793960741 /nfs/dbraw/zinc/96/07/41/793960741.db2.gz VGFXVEUVNUFDBT-SFHVURJKSA-N 1 2 348.450 2.409 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCC3CCCCC3)C2)nn1 ZINC001098779193 794237454 /nfs/dbraw/zinc/23/74/54/794237454.db2.gz GHBLNIGUJXSWKE-GOSISDBHSA-N 1 2 343.475 2.135 20 30 EEEDLO C=CCCC(=O)NC[C@]1(C)CN(c2cc(C)[nH+]c(C3CC3)n2)CCO1 ZINC001092733983 794274259 /nfs/dbraw/zinc/27/42/59/794274259.db2.gz PBFXEHHVMJGCCH-LJQANCHMSA-N 1 2 344.459 2.340 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cncs1 ZINC001079463575 794798610 /nfs/dbraw/zinc/79/86/10/794798610.db2.gz IHWZLCWZCKZTJZ-ZWNOBZJWSA-N 1 2 332.454 2.327 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cncs1 ZINC001079463575 794798617 /nfs/dbraw/zinc/79/86/17/794798617.db2.gz IHWZLCWZCKZTJZ-ZWNOBZJWSA-N 1 2 332.454 2.327 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1cscn1 ZINC001079488013 794847090 /nfs/dbraw/zinc/84/70/90/794847090.db2.gz DFZOJKHDLBDYRJ-IAQYHMDHSA-N 1 2 344.415 2.404 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1cscn1 ZINC001079488013 794847097 /nfs/dbraw/zinc/84/70/97/794847097.db2.gz DFZOJKHDLBDYRJ-IAQYHMDHSA-N 1 2 344.415 2.404 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)co1 ZINC001079616986 795028527 /nfs/dbraw/zinc/02/85/27/795028527.db2.gz GBIMLIQCLBETEU-BDJLRTHQSA-N 1 2 342.374 2.244 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)C[C@H]2C)co1 ZINC001079616986 795028533 /nfs/dbraw/zinc/02/85/33/795028533.db2.gz GBIMLIQCLBETEU-BDJLRTHQSA-N 1 2 342.374 2.244 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)C[C@H]21 ZINC001093335804 795035158 /nfs/dbraw/zinc/03/51/58/795035158.db2.gz ADEXBSPFOXVDNU-MNZLEMJZSA-N 1 2 338.455 2.407 20 30 EEEDLO C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1)n1cccn1 ZINC001032720823 795052744 /nfs/dbraw/zinc/05/27/44/795052744.db2.gz BYPRDFDQJFGLFU-IHPCNDPISA-N 1 2 348.450 2.171 20 30 EEEDLO C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1)n1cccn1 ZINC001032720823 795052748 /nfs/dbraw/zinc/05/27/48/795052748.db2.gz BYPRDFDQJFGLFU-IHPCNDPISA-N 1 2 348.450 2.171 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2nc([C@H](C)OC)no2)C1 ZINC000999899579 795053539 /nfs/dbraw/zinc/05/35/39/795053539.db2.gz NUGICUFTEXDXCO-QWHCGFSZSA-N 1 2 336.436 2.070 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)c1cc[nH]c1 ZINC001079747560 795190196 /nfs/dbraw/zinc/19/01/96/795190196.db2.gz QPOFTMAWNYCPDB-SJKOYZFVSA-N 1 2 326.375 2.276 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)c1cc[nH]c1 ZINC001079747560 795190199 /nfs/dbraw/zinc/19/01/99/795190199.db2.gz QPOFTMAWNYCPDB-SJKOYZFVSA-N 1 2 326.375 2.276 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3cc(C4CC4)no3)CC2)C1 ZINC001093579570 795389755 /nfs/dbraw/zinc/38/97/55/795389755.db2.gz XPNSDNKFSVGISG-UHFFFAOYSA-N 1 2 345.443 2.434 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@]3(C)CCCOC3)CC2)C1 ZINC001093584676 795397423 /nfs/dbraw/zinc/39/74/23/795397423.db2.gz BAJZWQUCBONYQE-LJQANCHMSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3COc4ccccc43)CC2)C1 ZINC001093600642 795442462 /nfs/dbraw/zinc/44/24/62/795442462.db2.gz MEXXYLFNAWZNCO-SFHVURJKSA-N 1 2 342.439 2.040 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H](C)CCNc1[nH+]cnc2c1cnn2C ZINC001106455661 795622011 /nfs/dbraw/zinc/62/20/11/795622011.db2.gz DPTCGUQZUKENSY-GFCCVEGCSA-N 1 2 330.436 2.272 20 30 EEEDLO C[C@H](CCNc1ccc(C#N)cn1)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001106583196 795883850 /nfs/dbraw/zinc/88/38/50/795883850.db2.gz VZZKTWQFHDVOOX-TZMCWYRMSA-N 1 2 338.415 2.103 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)oc1C ZINC000993206942 795918619 /nfs/dbraw/zinc/91/86/19/795918619.db2.gz ULTWRDFVXNUKAL-BLLLJJGKSA-N 1 2 341.415 2.274 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)oc1C ZINC000993206942 795918622 /nfs/dbraw/zinc/91/86/22/795918622.db2.gz ULTWRDFVXNUKAL-BLLLJJGKSA-N 1 2 341.415 2.274 20 30 EEEDLO C=CCOc1ccc(C(=O)NC[C@@]2(C)C[N@H+](CC=C)CCO2)cc1 ZINC001108032035 795976649 /nfs/dbraw/zinc/97/66/49/795976649.db2.gz MQCGHHPBYGWYCQ-IBGZPJMESA-N 1 2 330.428 2.258 20 30 EEEDLO C=CCOc1ccc(C(=O)NC[C@@]2(C)C[N@@H+](CC=C)CCO2)cc1 ZINC001108032035 795976655 /nfs/dbraw/zinc/97/66/55/795976655.db2.gz MQCGHHPBYGWYCQ-IBGZPJMESA-N 1 2 330.428 2.258 20 30 EEEDLO C[C@@H](CCNc1cccc(F)c1C#N)NC(=O)CCc1[nH+]ccn1C ZINC001106658590 796065217 /nfs/dbraw/zinc/06/52/17/796065217.db2.gz KRDXFBQSQXLHDX-ZDUSSCGKSA-N 1 2 343.406 2.370 20 30 EEEDLO C=C(C)CCC(=O)N1CC(N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001080506775 796089836 /nfs/dbraw/zinc/08/98/36/796089836.db2.gz KKDBQWYEOVCICD-HNNXBMFYSA-N 1 2 344.459 2.245 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ZINC000993367178 796467162 /nfs/dbraw/zinc/46/71/62/796467162.db2.gz MSFNAFZORGPBRL-CMPLNLGQSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2nn(C)cc2Cl)[C@@H]1C ZINC000993367178 796467166 /nfs/dbraw/zinc/46/71/66/796467166.db2.gz MSFNAFZORGPBRL-CMPLNLGQSA-N 1 2 331.247 2.409 20 30 EEEDLO C=CC(C)(C)C(=O)NCCCNc1[nH+]c(C)nc(-n2cccn2)c1C ZINC001094709663 796521583 /nfs/dbraw/zinc/52/15/83/796521583.db2.gz VQXLVTNAQHFMSZ-UHFFFAOYSA-N 1 2 342.447 2.410 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3ccc(C(C)C)cc3)CC2=O)C1 ZINC001094808809 796604285 /nfs/dbraw/zinc/60/42/85/796604285.db2.gz NPIFNZCCUONGKT-QGZVFWFLSA-N 1 2 341.455 2.011 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCNc1ncc(C#N)cc1Cl ZINC001094827332 796668639 /nfs/dbraw/zinc/66/86/39/796668639.db2.gz DFXLKOYOWWCVNG-LLVKDONJSA-N 1 2 346.822 2.127 20 30 EEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCNc1ncc(C#N)cc1Cl ZINC001094827332 796668642 /nfs/dbraw/zinc/66/86/42/796668642.db2.gz DFXLKOYOWWCVNG-LLVKDONJSA-N 1 2 346.822 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ZINC000993529762 796784849 /nfs/dbraw/zinc/78/48/49/796784849.db2.gz PAQHQGMIFHCCLK-JSGCOSHPSA-N 1 2 338.839 2.001 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cnco2)CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000993651302 796874271 /nfs/dbraw/zinc/87/42/71/796874271.db2.gz ZWPZIFQYBIHPNN-WMLDXEAASA-N 1 2 341.386 2.448 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2cnco2)CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000993651302 796874275 /nfs/dbraw/zinc/87/42/75/796874275.db2.gz ZWPZIFQYBIHPNN-WMLDXEAASA-N 1 2 341.386 2.448 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC(C)(C)C)[C@H](OC)C1 ZINC001081834118 796908721 /nfs/dbraw/zinc/90/87/21/796908721.db2.gz UYHIJTQXGWGXIB-QZTJIDSGSA-N 1 2 328.456 2.337 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC(C)(C)C)[C@H](OC)C1 ZINC001081834118 796908729 /nfs/dbraw/zinc/90/87/29/796908729.db2.gz UYHIJTQXGWGXIB-QZTJIDSGSA-N 1 2 328.456 2.337 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2nnn(CC)c2CC)[C@@H]1C ZINC000993803372 797030699 /nfs/dbraw/zinc/03/06/99/797030699.db2.gz IYUKWQYDQQIBSJ-QWHCGFSZSA-N 1 2 339.871 2.196 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2nnn(CC)c2CC)[C@@H]1C ZINC000993803372 797030707 /nfs/dbraw/zinc/03/07/07/797030707.db2.gz IYUKWQYDQQIBSJ-QWHCGFSZSA-N 1 2 339.871 2.196 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172982495 797181104 /nfs/dbraw/zinc/18/11/04/797181104.db2.gz AHLNSXFOHCASSF-CVEARBPZSA-N 1 2 334.464 2.082 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]2OC)C1 ZINC001082103056 797205412 /nfs/dbraw/zinc/20/54/12/797205412.db2.gz RFRRMIDABFLHQK-IAGOWNOFSA-N 1 2 332.419 2.497 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]2OC)C1 ZINC001082103056 797205416 /nfs/dbraw/zinc/20/54/16/797205416.db2.gz RFRRMIDABFLHQK-IAGOWNOFSA-N 1 2 332.419 2.497 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(C)(C)C)s2)[C@H](OC)C1 ZINC001082380543 797493667 /nfs/dbraw/zinc/49/36/67/797493667.db2.gz VRRYRSDIRMRDHX-ZIAGYGMSSA-N 1 2 334.485 2.498 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(C)(C)C)s2)[C@H](OC)C1 ZINC001082380543 797493672 /nfs/dbraw/zinc/49/36/72/797493672.db2.gz VRRYRSDIRMRDHX-ZIAGYGMSSA-N 1 2 334.485 2.498 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N1CCCN(c2cc[nH+]c(C)n2)CC1)OCC ZINC001095193932 797504283 /nfs/dbraw/zinc/50/42/83/797504283.db2.gz MQOKZAWAQUMKQS-MRXNPFEDSA-N 1 2 332.448 2.195 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2CC)[C@@H](O)C1 ZINC001090391556 797767657 /nfs/dbraw/zinc/76/76/57/797767657.db2.gz DKSIUWHXAUAJME-CVEARBPZSA-N 1 2 340.826 2.306 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2CC)[C@@H](O)C1 ZINC001090391556 797767658 /nfs/dbraw/zinc/76/76/58/797767658.db2.gz DKSIUWHXAUAJME-CVEARBPZSA-N 1 2 340.826 2.306 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)n([C@@H](C)CC)n2)C1 ZINC001108042345 797833225 /nfs/dbraw/zinc/83/32/25/797833225.db2.gz MSRWYSINDUBCML-KSSFIOAISA-N 1 2 334.464 2.169 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)n([C@@H](C)CC)n2)C1 ZINC001108042345 797833232 /nfs/dbraw/zinc/83/32/32/797833232.db2.gz MSRWYSINDUBCML-KSSFIOAISA-N 1 2 334.464 2.169 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccnc2N(C)C)[C@H]1C ZINC000994397249 797934834 /nfs/dbraw/zinc/93/48/34/797934834.db2.gz CGYQUQRVCSRCSO-UKRRQHHQSA-N 1 2 336.867 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccnc2N(C)C)[C@H]1C ZINC000994397249 797934839 /nfs/dbraw/zinc/93/48/39/797934839.db2.gz CGYQUQRVCSRCSO-UKRRQHHQSA-N 1 2 336.867 2.483 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)on1 ZINC001084184429 798035173 /nfs/dbraw/zinc/03/51/73/798035173.db2.gz ILSAUHFXCFKBHJ-IUODEOHRSA-N 1 2 342.424 2.263 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)on1 ZINC001084184429 798035179 /nfs/dbraw/zinc/03/51/79/798035179.db2.gz ILSAUHFXCFKBHJ-IUODEOHRSA-N 1 2 342.424 2.263 20 30 EEEDLO CS[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084196708 798047878 /nfs/dbraw/zinc/04/78/78/798047878.db2.gz SIHDIBKPOHBXQE-YXJHDRRASA-N 1 2 346.471 2.461 20 30 EEEDLO CS[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001084196708 798047885 /nfs/dbraw/zinc/04/78/85/798047885.db2.gz SIHDIBKPOHBXQE-YXJHDRRASA-N 1 2 346.471 2.461 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)[C@@H]3C2)nc2ccccc12 ZINC001084236861 798100305 /nfs/dbraw/zinc/10/03/05/798100305.db2.gz SCKITFJOJZJNKR-DDUZABMNSA-N 1 2 349.438 2.131 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)[C@@H]3C2)nc2ccccc12 ZINC001084236861 798100306 /nfs/dbraw/zinc/10/03/06/798100306.db2.gz SCKITFJOJZJNKR-DDUZABMNSA-N 1 2 349.438 2.131 20 30 EEEDLO C=CCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCCO3)c2C1 ZINC001128187835 798197082 /nfs/dbraw/zinc/19/70/82/798197082.db2.gz WKZZQBFRZAVFHG-SFHVURJKSA-N 1 2 346.475 2.240 20 30 EEEDLO C=CCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCCO3)c2C1 ZINC001128187835 798197084 /nfs/dbraw/zinc/19/70/84/798197084.db2.gz WKZZQBFRZAVFHG-SFHVURJKSA-N 1 2 346.475 2.240 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](Cc3snnc3C)C[C@H]21 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RNLKCHSOCNQRBC-DXCKQFNASA-N 1 2 348.878 2.364 20 30 EEEDLO CCc1nc[nH]c1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084803696 798468227 /nfs/dbraw/zinc/46/82/27/798468227.db2.gz KSNNEUOLUHYUFD-SJLPKXTDSA-N 1 2 349.438 2.190 20 30 EEEDLO CCc1nc[nH]c1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001084803696 798468228 /nfs/dbraw/zinc/46/82/28/798468228.db2.gz KSNNEUOLUHYUFD-SJLPKXTDSA-N 1 2 349.438 2.190 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3c(C)cc(=O)[nH]c3C)[C@@H]2C1 ZINC001084844979 798500677 /nfs/dbraw/zinc/50/06/77/798500677.db2.gz QUSRFGBWOWAWRU-ZIAGYGMSSA-N 1 2 335.835 2.303 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(C)cc(=O)[nH]c3C)[C@@H]2C1 ZINC001084844979 798500679 /nfs/dbraw/zinc/50/06/79/798500679.db2.gz QUSRFGBWOWAWRU-ZIAGYGMSSA-N 1 2 335.835 2.303 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC001002715769 798512623 /nfs/dbraw/zinc/51/26/23/798512623.db2.gz VXLFRMAXXFAXTI-QWRGUYRKSA-N 1 2 337.208 2.377 20 30 EEEDLO Cc1nc(N[C@@H]2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)ccc1C#N ZINC001061135664 798523559 /nfs/dbraw/zinc/52/35/59/798523559.db2.gz GWHWUURIKQBIDU-HUUCEWRRSA-N 1 2 338.415 2.067 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](Cc3nccn3C)[C@H]2C1 ZINC001085024140 798617276 /nfs/dbraw/zinc/61/72/76/798617276.db2.gz XYGGFDKBXXUDGT-GJYPPUQNSA-N 1 2 330.476 2.445 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](Cc3nccn3C)[C@H]2C1 ZINC001085024140 798617279 /nfs/dbraw/zinc/61/72/79/798617279.db2.gz XYGGFDKBXXUDGT-GJYPPUQNSA-N 1 2 330.476 2.445 20 30 EEEDLO N=C(c1ccccc1N)N(O)C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176967377 798662318 /nfs/dbraw/zinc/66/23/18/798662318.db2.gz KZMLDORCLPYXMT-ZDUSSCGKSA-N 1 2 339.399 2.124 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)coc3C)C[C@@H]21 ZINC001176995508 798685948 /nfs/dbraw/zinc/68/59/48/798685948.db2.gz WTEXISTTWMJQOU-DLBZAZTESA-N 1 2 348.443 2.014 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)coc3C)C[C@@H]21 ZINC001176995508 798685952 /nfs/dbraw/zinc/68/59/52/798685952.db2.gz WTEXISTTWMJQOU-DLBZAZTESA-N 1 2 348.443 2.014 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCCOCCC=C)C[C@@H]21 ZINC001177013665 798695784 /nfs/dbraw/zinc/69/57/84/798695784.db2.gz UNKGDXDIPIEWGG-RBUKOAKNSA-N 1 2 348.487 2.074 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCCOCCC=C)C[C@@H]21 ZINC001177013665 798695788 /nfs/dbraw/zinc/69/57/88/798695788.db2.gz UNKGDXDIPIEWGG-RBUKOAKNSA-N 1 2 348.487 2.074 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@H+](CCOC3CCC3)[C@@H]2C1 ZINC001177024033 798700785 /nfs/dbraw/zinc/70/07/85/798700785.db2.gz DUCNATLUUMYZQU-QZTJIDSGSA-N 1 2 336.476 2.214 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@@H+](CCOC3CCC3)[C@@H]2C1 ZINC001177024033 798700788 /nfs/dbraw/zinc/70/07/88/798700788.db2.gz DUCNATLUUMYZQU-QZTJIDSGSA-N 1 2 336.476 2.214 20 30 EEEDLO C#CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)C[C@@H]2C[C@H]2C)C1 ZINC001177551474 799024621 /nfs/dbraw/zinc/02/46/21/799024621.db2.gz NJDVCAWGKLWGMH-MJGOQNOKSA-N 1 2 340.467 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799404559 /nfs/dbraw/zinc/40/45/59/799404559.db2.gz ZWHFANHCHIMQOX-QGZVFWFLSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@H]3CC3(C)C)CC2)C1 ZINC001065710739 799406602 /nfs/dbraw/zinc/40/66/02/799406602.db2.gz DOXABYFOSONZGY-DLBZAZTESA-N 1 2 347.503 2.134 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC3CCC3)CC2)C1 ZINC001065710690 799406608 /nfs/dbraw/zinc/40/66/08/799406608.db2.gz CHCFKTFDENLARB-SFHVURJKSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C3CC=CC3)CC2)C1 ZINC001065712480 799411196 /nfs/dbraw/zinc/41/11/96/799411196.db2.gz YVMXHVDFSSAHJW-SFHVURJKSA-N 1 2 345.487 2.054 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H]([NH2+]Cc2nc(C3CC3)no2)[C@@H]1C ZINC001178503589 799520134 /nfs/dbraw/zinc/52/01/34/799520134.db2.gz GTMLFDAHMZBXHB-ZFWWWQNUSA-N 1 2 330.432 2.220 20 30 EEEDLO N#Cc1sccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001178987686 799732980 /nfs/dbraw/zinc/73/29/80/799732980.db2.gz DUUCHLISDIAWEI-HNNXBMFYSA-N 1 2 327.409 2.459 20 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/nfs/dbraw/zinc/13/45/51/801134551.db2.gz ZKUUQQZYGINDGR-QGZVFWFLSA-N 1 2 325.387 2.352 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NCC1(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001110304865 801187094 /nfs/dbraw/zinc/18/70/94/801187094.db2.gz UQACCZHPPFONSZ-GFCCVEGCSA-N 1 2 328.420 2.026 20 30 EEEDLO CN(C(=O)[C@@H]1CC1(F)F)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033063495 801372761 /nfs/dbraw/zinc/37/27/61/801372761.db2.gz BUOGBCOHDWFFTD-GJZGRUSLSA-N 1 2 337.345 2.385 20 30 EEEDLO CN(C(=O)[C@@H]1CC1(F)F)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033063495 801372769 /nfs/dbraw/zinc/37/27/69/801372769.db2.gz BUOGBCOHDWFFTD-GJZGRUSLSA-N 1 2 337.345 2.385 20 30 EEEDLO C#CCC1(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nnc(CC)o3)C2)CCC1 ZINC001183199791 801522711 /nfs/dbraw/zinc/52/27/11/801522711.db2.gz GELAEZIBCNPOOB-ZIAGYGMSSA-N 1 2 330.432 2.077 20 30 EEEDLO CCc1nc[nH]c1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001085949847 801740037 /nfs/dbraw/zinc/74/00/37/801740037.db2.gz QBKPKVSMVDTYSA-LBPRGKRZSA-N 1 2 343.456 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ZINC001108243344 802168140 /nfs/dbraw/zinc/16/81/40/802168140.db2.gz RLZBGTRADUXJRK-QUCCMNQESA-N 1 2 328.456 2.185 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001108243344 802168144 /nfs/dbraw/zinc/16/81/44/802168144.db2.gz RLZBGTRADUXJRK-QUCCMNQESA-N 1 2 328.456 2.185 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001108076014 802272216 /nfs/dbraw/zinc/27/22/16/802272216.db2.gz HFRDTRPMKSCGDE-HKUYNNGSSA-N 1 2 332.419 2.249 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001108076014 802272220 /nfs/dbraw/zinc/27/22/20/802272220.db2.gz HFRDTRPMKSCGDE-HKUYNNGSSA-N 1 2 332.419 2.249 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001108248523 802356320 /nfs/dbraw/zinc/35/63/20/802356320.db2.gz LHSGGYXXLHLLAR-YLJYHZDGSA-N 1 2 328.456 2.329 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001108248523 802356326 /nfs/dbraw/zinc/35/63/26/802356326.db2.gz LHSGGYXXLHLLAR-YLJYHZDGSA-N 1 2 328.456 2.329 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001004539348 802356335 /nfs/dbraw/zinc/35/63/35/802356335.db2.gz DCSPVDCTFHLIGG-WBVHZDCISA-N 1 2 341.459 2.056 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001004539348 802356341 /nfs/dbraw/zinc/35/63/41/802356341.db2.gz DCSPVDCTFHLIGG-WBVHZDCISA-N 1 2 341.459 2.056 20 30 EEEDLO C[C@H](CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)n1cccn1 ZINC001004600623 802459899 /nfs/dbraw/zinc/45/98/99/802459899.db2.gz FMVCTSRHYVDUHN-WBVHZDCISA-N 1 2 329.448 2.061 20 30 EEEDLO C[C@H](CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)n1cccn1 ZINC001004600623 802459901 /nfs/dbraw/zinc/45/99/01/802459901.db2.gz FMVCTSRHYVDUHN-WBVHZDCISA-N 1 2 329.448 2.061 20 30 EEEDLO COC1CC(C(=O)N(C)[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001033170295 802749768 /nfs/dbraw/zinc/74/97/68/802749768.db2.gz FNEOTNJHJIUTEX-GMXGEUMGSA-N 1 2 345.418 2.155 20 30 EEEDLO COC1CC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001033170295 802749771 /nfs/dbraw/zinc/74/97/71/802749771.db2.gz FNEOTNJHJIUTEX-GMXGEUMGSA-N 1 2 345.418 2.155 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001108281234 803086360 /nfs/dbraw/zinc/08/63/60/803086360.db2.gz DUVHGGBEKRMQME-KXBFYZLASA-N 1 2 332.444 2.230 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001108281234 803086367 /nfs/dbraw/zinc/08/63/67/803086367.db2.gz DUVHGGBEKRMQME-KXBFYZLASA-N 1 2 332.444 2.230 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ncccc2C(F)(F)F)C1 ZINC001108322081 803277479 /nfs/dbraw/zinc/27/74/79/803277479.db2.gz SNEDEFUSVOJGPA-HNNXBMFYSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ncccc2C(F)(F)F)C1 ZINC001108322081 803277484 /nfs/dbraw/zinc/27/74/84/803277484.db2.gz SNEDEFUSVOJGPA-HNNXBMFYSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H](OC)C3CCCC3)c2C1 ZINC001128570915 803419199 /nfs/dbraw/zinc/41/91/99/803419199.db2.gz CQTKNNBCTKYWIM-GOSISDBHSA-N 1 2 346.475 2.096 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H](OC)C3CCCC3)c2C1 ZINC001128570915 803419202 /nfs/dbraw/zinc/41/92/02/803419202.db2.gz CQTKNNBCTKYWIM-GOSISDBHSA-N 1 2 346.475 2.096 20 30 EEEDLO N#Cc1cncc(Br)c1NCCc1cn2ccccc2[nH+]1 ZINC001169003918 803567120 /nfs/dbraw/zinc/56/71/20/803567120.db2.gz KKKOTEFZTKMEKD-UHFFFAOYSA-N 1 2 342.200 2.440 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)C(C)(C)CC(C)C)CC2=O)C1 ZINC001108584965 804222575 /nfs/dbraw/zinc/22/25/75/804222575.db2.gz MXNUSEXIOLUCET-HNNXBMFYSA-N 1 2 335.492 2.036 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@H](CCCC)C(C)C)CC2=O)C1 ZINC001108591643 804262183 /nfs/dbraw/zinc/26/21/83/804262183.db2.gz AJTRYPCFPNNNKN-FUHWJXTLSA-N 1 2 349.519 2.426 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](CC)CCCCC)CC2=O)C1 ZINC001108591793 804262987 /nfs/dbraw/zinc/26/29/87/804262987.db2.gz FLGMEDBYMXXXAJ-HOTGVXAUSA-N 1 2 335.492 2.180 20 30 EEEDLO Cc1nsc(NC[C@H](C)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)c1C#N ZINC001108686758 804353268 /nfs/dbraw/zinc/35/32/68/804353268.db2.gz VCQLPPDLEDJEKA-GXSJLCMTSA-N 1 2 344.444 2.083 20 30 EEEDLO Cc1cc(N(C)C[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)nc(C2CC2)[nH+]1 ZINC001108911275 804662494 /nfs/dbraw/zinc/66/24/94/804662494.db2.gz GANJSQCZXKXMJK-GFCCVEGCSA-N 1 2 338.415 2.117 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@H](C)CN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001108995570 804796682 /nfs/dbraw/zinc/79/66/82/804796682.db2.gz IEHVXDNUPATXTJ-ZIAGYGMSSA-N 1 2 346.475 2.196 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)=C(C)C)C2 ZINC001109150068 805022177 /nfs/dbraw/zinc/02/21/77/805022177.db2.gz PLSGZVCYJXWWKV-PMPSAXMXSA-N 1 2 349.450 2.172 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)=C(C)C)C2 ZINC001109150068 805022191 /nfs/dbraw/zinc/02/21/91/805022191.db2.gz PLSGZVCYJXWWKV-PMPSAXMXSA-N 1 2 349.450 2.172 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc2n(n1)CCC2 ZINC001109171470 805064585 /nfs/dbraw/zinc/06/45/85/805064585.db2.gz QWTSVJSEMQJPED-NEWSRXKRSA-N 1 2 340.471 2.244 20 30 EEEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc2n(n1)CCC2 ZINC001109171470 805064594 /nfs/dbraw/zinc/06/45/94/805064594.db2.gz QWTSVJSEMQJPED-NEWSRXKRSA-N 1 2 340.471 2.244 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(Cl)c1 ZINC001109212877 805128738 /nfs/dbraw/zinc/12/87/38/805128738.db2.gz JJDWNVBVRVJAID-LDDOYCOJSA-N 1 2 349.862 2.284 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(Cl)c1 ZINC001109212877 805128743 /nfs/dbraw/zinc/12/87/43/805128743.db2.gz JJDWNVBVRVJAID-LDDOYCOJSA-N 1 2 349.862 2.284 20 30 EEEDLO CC(C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109217086 805136182 /nfs/dbraw/zinc/13/61/82/805136182.db2.gz GXZJDSARDGAWQQ-PVAVHDDUSA-N 1 2 345.418 2.080 20 30 EEEDLO CC(C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109217086 805136188 /nfs/dbraw/zinc/13/61/88/805136188.db2.gz GXZJDSARDGAWQQ-PVAVHDDUSA-N 1 2 345.418 2.080 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCC ZINC001109335440 805316005 /nfs/dbraw/zinc/31/60/05/805316005.db2.gz SJLTULRUUCAAMB-RDBSUJKOSA-N 1 2 341.883 2.013 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCC ZINC001109335440 805316016 /nfs/dbraw/zinc/31/60/16/805316016.db2.gz SJLTULRUUCAAMB-RDBSUJKOSA-N 1 2 341.883 2.013 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001112785275 807236877 /nfs/dbraw/zinc/23/68/77/807236877.db2.gz VYCNSBUHJFPKBP-HOCLYGCPSA-N 1 2 332.448 2.193 20 30 EEEDLO C=C(C)CCC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2C)CC1 ZINC001112904399 807571000 /nfs/dbraw/zinc/57/10/00/807571000.db2.gz SCJQYEFBQAUHCA-SFHVURJKSA-N 1 2 346.471 2.235 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001113185813 808405087 /nfs/dbraw/zinc/40/50/87/808405087.db2.gz OHPVVTURQLGIJG-NWDGAFQWSA-N 1 2 334.468 2.153 20 30 EEEDLO CC#CCCCC(=O)N1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC001113234683 808510899 /nfs/dbraw/zinc/51/08/99/808510899.db2.gz GSBLGNDMHWKDBV-SFHVURJKSA-N 1 2 332.419 2.197 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+](CCOC[C@@H]2CCCCO2)CC1 ZINC001113248444 808537930 /nfs/dbraw/zinc/53/79/30/808537930.db2.gz ZJHHUANIWNYFJA-ROUUACIJSA-N 1 2 338.492 2.319 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(C(C)C)nc2C)CC1 ZINC001113351274 808810523 /nfs/dbraw/zinc/81/05/23/808810523.db2.gz USJPHRVIQGWNDZ-UHFFFAOYSA-N 1 2 331.460 2.474 20 30 EEEDLO C=CC[C@@H](C(=O)N1CCN(Cc2c[nH+]cn2C)CC1)c1ccccc1 ZINC001113662919 809502984 /nfs/dbraw/zinc/50/29/84/809502984.db2.gz OUKWGLUFHJISRP-LJQANCHMSA-N 1 2 338.455 2.424 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H](C)N(C)c2nc(C)[nH+]c(C)c2C)cn1 ZINC001113663778 809505963 /nfs/dbraw/zinc/50/59/63/809505963.db2.gz PGGMNCTVOWJLAD-LBPRGKRZSA-N 1 2 337.427 2.033 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC001113712746 809618193 /nfs/dbraw/zinc/61/81/93/809618193.db2.gz DWVQHKRONDVRFK-MRXNPFEDSA-N 1 2 332.444 2.239 20 30 EEEDLO Cc1nsc(N(C)[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c1C#N ZINC001113902372 810039043 /nfs/dbraw/zinc/03/90/43/810039043.db2.gz IDDFWRJAWBHHIL-NWDGAFQWSA-N 1 2 346.460 2.112 20 30 EEEDLO Cc1nsc(N(C)[C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c1C#N ZINC001113902374 810039249 /nfs/dbraw/zinc/03/92/49/810039249.db2.gz IDDFWRJAWBHHIL-VXGBXAGGSA-N 1 2 346.460 2.112 20 30 EEEDLO CS[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001113915910 810068851 /nfs/dbraw/zinc/06/88/51/810068851.db2.gz JEXBDBIRFKJYBL-UTXMOHQDSA-N 1 2 348.899 2.489 20 30 EEEDLO CS[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001113915910 810068853 /nfs/dbraw/zinc/06/88/53/810068853.db2.gz JEXBDBIRFKJYBL-UTXMOHQDSA-N 1 2 348.899 2.489 20 30 EEEDLO CCC[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793607511 810432500 /nfs/dbraw/zinc/43/25/00/810432500.db2.gz QUXOLFPBIWMLDV-GDBMZVCRSA-N 1 2 328.416 2.012 20 30 EEEDLO CCC[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793607511 810432505 /nfs/dbraw/zinc/43/25/05/810432505.db2.gz QUXOLFPBIWMLDV-GDBMZVCRSA-N 1 2 328.416 2.012 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114196714 810578032 /nfs/dbraw/zinc/57/80/32/810578032.db2.gz LNLSJNKTASWKLP-DZFIZOCASA-N 1 2 325.387 2.047 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114196714 810578039 /nfs/dbraw/zinc/57/80/39/810578039.db2.gz LNLSJNKTASWKLP-DZFIZOCASA-N 1 2 325.387 2.047 20 30 EEEDLO CCCC[C@@H](CNc1ncccc1C#N)NC(=O)CCn1cc[nH+]c1 ZINC001114293214 810787806 /nfs/dbraw/zinc/78/78/06/810787806.db2.gz FMMUVTMENZNPBA-INIZCTEOSA-N 1 2 340.431 2.327 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[NH2+]Cc2nc(CCC)no2)cc1 ZINC001130371056 811521200 /nfs/dbraw/zinc/52/12/00/811521200.db2.gz ADPAEZDRWJVUAP-UHFFFAOYSA-N 1 2 344.415 2.107 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c(C)cc(F)cc2C)[C@H](O)C1 ZINC001090487578 811820165 /nfs/dbraw/zinc/82/01/65/811820165.db2.gz XBGGAMGUFGWNJB-LSDHHAIUSA-N 1 2 340.826 2.360 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c(C)cc(F)cc2C)[C@H](O)C1 ZINC001090487578 811820175 /nfs/dbraw/zinc/82/01/75/811820175.db2.gz XBGGAMGUFGWNJB-LSDHHAIUSA-N 1 2 340.826 2.360 20 30 EEEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C(C)(C)CCCCC)CC1 ZINC001131399464 812765135 /nfs/dbraw/zinc/76/51/35/812765135.db2.gz SMHQQNIAOUOXIY-UHFFFAOYSA-N 1 2 337.508 2.429 20 30 EEEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C(C)(C)CCCCC)CC1 ZINC001131399464 812765136 /nfs/dbraw/zinc/76/51/36/812765136.db2.gz SMHQQNIAOUOXIY-UHFFFAOYSA-N 1 2 337.508 2.429 20 30 EEEDLO CCO[C@H](CC)C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001438115835 1090647898 /nfs/dbraw/zinc/64/78/98/1090647898.db2.gz PIOLOYAZDKKYGL-QGZVFWFLSA-N 1 2 333.407 2.060 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)C1(COC)CC1 ZINC001440429374 1093630538 /nfs/dbraw/zinc/63/05/38/1093630538.db2.gz LMKKERCYIJURBS-UHFFFAOYSA-N 1 2 333.270 2.102 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)C1(COC)CC1 ZINC001440429374 1093630539 /nfs/dbraw/zinc/63/05/39/1093630539.db2.gz LMKKERCYIJURBS-UHFFFAOYSA-N 1 2 333.270 2.102 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CCc1nc(C)no1 ZINC001441641276 1095559995 /nfs/dbraw/zinc/55/99/95/1095559995.db2.gz IUKIZXUHXMDGRX-ZDUSSCGKSA-N 1 2 326.828 2.034 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CCc1nc(C)no1 ZINC001441641276 1095560011 /nfs/dbraw/zinc/56/00/11/1095560011.db2.gz IUKIZXUHXMDGRX-ZDUSSCGKSA-N 1 2 326.828 2.034 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C[C@@H]1COc2ccccc2O1 ZINC001496709724 1101314522 /nfs/dbraw/zinc/31/45/22/1101314522.db2.gz KIKFOMDQYZXMCV-CQSZACIVSA-N 1 2 338.835 2.359 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C[C@@H]1COc2ccccc2O1 ZINC001496709724 1101314536 /nfs/dbraw/zinc/31/45/36/1101314536.db2.gz KIKFOMDQYZXMCV-CQSZACIVSA-N 1 2 338.835 2.359 20 30 EEEDLO C=C(Br)C[NH2+]C1(CNC(=O)C(F)C(F)(F)F)CCC1 ZINC001447202217 1102194266 /nfs/dbraw/zinc/19/42/66/1102194266.db2.gz WUGIVAKGGSFCPS-QMMMGPOBSA-N 1 2 347.150 2.424 20 30 EEEDLO C=C(Br)C[NH2+]C1(CNC(=O)[C@H](F)C(F)(F)F)CCC1 ZINC001447202217 1102194270 /nfs/dbraw/zinc/19/42/70/1102194270.db2.gz WUGIVAKGGSFCPS-QMMMGPOBSA-N 1 2 347.150 2.424 20 30 EEEDLO CCCN(C(=O)c1ncccn1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001493968644 1103222005 /nfs/dbraw/zinc/22/20/05/1103222005.db2.gz JNPMBJDRPVZJKP-SFHVURJKSA-N 1 2 349.438 2.475 20 30 EEEDLO CCCN(C(=O)c1ncccn1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001493968644 1103222023 /nfs/dbraw/zinc/22/20/23/1103222023.db2.gz JNPMBJDRPVZJKP-SFHVURJKSA-N 1 2 349.438 2.475 20 30 EEEDLO C[C@H](C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1)C(F)(F)F ZINC001494586311 1104173139 /nfs/dbraw/zinc/17/31/39/1104173139.db2.gz YMUKAOZNRLYLHQ-SNVBAGLBSA-N 1 2 343.324 2.444 20 30 EEEDLO C#Cc1cccc(NC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000067426299 215144072 /nfs/dbraw/zinc/14/40/72/215144072.db2.gz DUAHONYXEHNVQH-UHFFFAOYSA-N 1 2 344.374 2.109 20 30 EEEDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC2(CCOCC2)CC1 ZINC000328901285 539763769 /nfs/dbraw/zinc/76/37/69/539763769.db2.gz YWXWHAMWUWXZCD-INIZCTEOSA-N 1 2 344.459 2.467 20 30 EEEDLO C[C@H](NC(=O)N1CCn2cc[nH+]c2C1)c1ccc2c(c1)OCCO2 ZINC000329829781 539784861 /nfs/dbraw/zinc/78/48/61/539784861.db2.gz JMFXRAAEOFYKEY-LBPRGKRZSA-N 1 2 328.372 2.145 20 30 EEEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCc4ccccc4NC3=O)CC2)nc1 ZINC000191957994 283161592 /nfs/dbraw/zinc/16/15/92/283161592.db2.gz VMGLCBXZSXXAAD-SFHVURJKSA-N 1 2 347.422 2.029 20 30 EEEDLO CCC(CC)[C@H](C(=O)NCc1ccc(C#N)s1)[NH+]1CCOCC1 ZINC000421924646 240056710 /nfs/dbraw/zinc/05/67/10/240056710.db2.gz UMMKQEJCDZNWRA-MRXNPFEDSA-N 1 2 335.473 2.373 20 30 EEEDLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCO2 ZINC000451643335 243188627 /nfs/dbraw/zinc/18/86/27/243188627.db2.gz OOCQJRCPXBCHAI-IFXJQAMLSA-N 1 2 345.443 2.333 20 30 EEEDLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCO2 ZINC000451643335 243188630 /nfs/dbraw/zinc/18/86/30/243188630.db2.gz OOCQJRCPXBCHAI-IFXJQAMLSA-N 1 2 345.443 2.333 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H](O)c2ccccc2C)n1 ZINC000491409028 246024070 /nfs/dbraw/zinc/02/40/70/246024070.db2.gz YOPPAFQJQOZGMP-LJQANCHMSA-N 1 2 327.428 2.007 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H](O)c2ccccc2C)n1 ZINC000491409028 246024075 /nfs/dbraw/zinc/02/40/75/246024075.db2.gz YOPPAFQJQOZGMP-LJQANCHMSA-N 1 2 327.428 2.007 20 30 EEEDLO Cn1cc[nH+]c1CNC(=O)NCCSCc1ccccc1C#N ZINC000264083335 246050268 /nfs/dbraw/zinc/05/02/68/246050268.db2.gz CYXKMIJSCJLVJR-UHFFFAOYSA-N 1 2 329.429 2.024 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCN(CC)C(=O)[C@H]1CC ZINC000495239931 247096391 /nfs/dbraw/zinc/09/63/91/247096391.db2.gz LLPFHPNNXLAKMY-QZTJIDSGSA-N 1 2 346.471 2.098 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCN(CC)C(=O)[C@H]1CC ZINC000495239931 247096393 /nfs/dbraw/zinc/09/63/93/247096393.db2.gz LLPFHPNNXLAKMY-QZTJIDSGSA-N 1 2 346.471 2.098 20 30 EEEDLO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000093078165 218192114 /nfs/dbraw/zinc/19/21/14/218192114.db2.gz OGWCQHUZDIXQII-AWEZNQCLSA-N 1 2 346.500 2.185 20 30 EEEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)COc1ccccc1C#N)C2 ZINC000112667974 220369677 /nfs/dbraw/zinc/36/96/77/220369677.db2.gz NGHONOUOPVWABU-UHFFFAOYSA-N 1 2 338.411 2.379 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000491428870 533218791 /nfs/dbraw/zinc/21/87/91/533218791.db2.gz QXUFEGXBHHMLGF-UHFFFAOYSA-N 1 2 328.372 2.073 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000491428870 533218794 /nfs/dbraw/zinc/21/87/94/533218794.db2.gz QXUFEGXBHHMLGF-UHFFFAOYSA-N 1 2 328.372 2.073 20 30 EEEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)c1 ZINC000267175770 256034217 /nfs/dbraw/zinc/03/42/17/256034217.db2.gz MXPGJAXZAWAAQS-CQSZACIVSA-N 1 2 338.411 2.414 20 30 EEEDLO C[C@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CCN1CC(F)(F)F ZINC000270787114 256172055 /nfs/dbraw/zinc/17/20/55/256172055.db2.gz UXCBCYSTNLQLFO-SWLSCSKDSA-N 1 2 327.350 2.160 20 30 EEEDLO C[C@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CCN1CC(F)(F)F ZINC000270787114 256172057 /nfs/dbraw/zinc/17/20/57/256172057.db2.gz UXCBCYSTNLQLFO-SWLSCSKDSA-N 1 2 327.350 2.160 20 30 EEEDLO C#C[C@@H]1COCC[N@H+]1CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000491373147 533276633 /nfs/dbraw/zinc/27/66/33/533276633.db2.gz LZFSFAQKLCEJQE-OAHLLOKOSA-N 1 2 329.375 2.451 20 30 EEEDLO C#C[C@@H]1COCC[N@@H+]1CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000491373147 533276635 /nfs/dbraw/zinc/27/66/35/533276635.db2.gz LZFSFAQKLCEJQE-OAHLLOKOSA-N 1 2 329.375 2.451 20 30 EEEDLO CSCC[C@](C)(C#N)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000344687861 533669604 /nfs/dbraw/zinc/66/96/04/533669604.db2.gz XXTJNAWILRDUFA-JJRVBVJISA-N 1 2 332.473 2.305 20 30 EEEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)COc2ccc(C#N)cc2)C1 ZINC000120194374 159389180 /nfs/dbraw/zinc/38/91/80/159389180.db2.gz LPFOAHSVJPVXQB-INIZCTEOSA-N 1 2 338.411 2.152 20 30 EEEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000151247757 292471312 /nfs/dbraw/zinc/47/13/12/292471312.db2.gz DZVZVWRBRZVNCJ-DOMZBBRYSA-N 1 2 348.403 2.166 20 30 EEEDLO Cc1ccn2cc(CNS(=O)(=O)c3cc(C#N)ccc3C)[nH+]c2c1 ZINC000359077870 164052421 /nfs/dbraw/zinc/05/24/21/164052421.db2.gz QBQKSPZRVMGXKW-UHFFFAOYSA-N 1 2 340.408 2.301 20 30 EEEDLO COc1ccc(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)cc1C#N ZINC000364053289 165011865 /nfs/dbraw/zinc/01/18/65/165011865.db2.gz GTOYXRJUQRDSEW-HNNXBMFYSA-N 1 2 328.393 2.185 20 30 EEEDLO Cc1oc(NC(=O)C[N@H+](CCO)Cc2ccccc2)c(C#N)c1C ZINC000122144597 222022798 /nfs/dbraw/zinc/02/27/98/222022798.db2.gz MXBPKJPIDNMZNE-UHFFFAOYSA-N 1 2 327.384 2.201 20 30 EEEDLO Cc1oc(NC(=O)C[N@@H+](CCO)Cc2ccccc2)c(C#N)c1C ZINC000122144597 222022801 /nfs/dbraw/zinc/02/28/01/222022801.db2.gz MXBPKJPIDNMZNE-UHFFFAOYSA-N 1 2 327.384 2.201 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)nc1 ZINC000272091847 269778760 /nfs/dbraw/zinc/77/87/60/269778760.db2.gz JLDZSPUUUOGWEC-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO N#Cc1nc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)[nH]c1C#N ZINC000411366331 270019394 /nfs/dbraw/zinc/01/93/94/270019394.db2.gz PFGGPSVXZBRKTA-UHFFFAOYSA-N 1 2 334.383 2.391 20 30 EEEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cc(C#N)ccc2Cl)C[C@H](C)O1 ZINC000286988284 267051659 /nfs/dbraw/zinc/05/16/59/267051659.db2.gz HWHSJJFOBKSHCR-BETUJISGSA-N 1 2 335.835 2.393 20 30 EEEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cc(C#N)ccc2Cl)C[C@H](C)O1 ZINC000286988284 267051661 /nfs/dbraw/zinc/05/16/61/267051661.db2.gz HWHSJJFOBKSHCR-BETUJISGSA-N 1 2 335.835 2.393 20 30 EEEDLO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000325302526 267067260 /nfs/dbraw/zinc/06/72/60/267067260.db2.gz NUHUWWGIFDWGSV-QAPCUYQASA-N 1 2 326.444 2.445 20 30 EEEDLO C[C@@H]1CN2CCCC[C@H]2C[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000325302526 267067265 /nfs/dbraw/zinc/06/72/65/267067265.db2.gz NUHUWWGIFDWGSV-QAPCUYQASA-N 1 2 326.444 2.445 20 30 EEEDLO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ncc(C#N)cn2)CC1 ZINC000496918012 267276547 /nfs/dbraw/zinc/27/65/47/267276547.db2.gz BXABPXAPRLHTBI-UHFFFAOYSA-N 1 2 331.420 2.180 20 30 EEEDLO Cc1cc(C#N)cc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000332615703 267304637 /nfs/dbraw/zinc/30/46/37/267304637.db2.gz BIPSVQVDVBSRJY-PBHICJAKSA-N 1 2 328.416 2.194 20 30 EEEDLO Cc1[nH+]c2cc(NC(=O)CNC(=O)c3ccc(C#N)cc3)ccc2n1C ZINC000525262624 268079128 /nfs/dbraw/zinc/07/91/28/268079128.db2.gz RZXUZDVHWZPLCR-UHFFFAOYSA-N 1 2 347.378 2.122 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(c3cnccn3)CC2)c(OC(F)F)c1 ZINC000437428926 268220562 /nfs/dbraw/zinc/22/05/62/268220562.db2.gz MXWHLEOVTMRXBE-UHFFFAOYSA-N 1 2 345.353 2.272 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000279847272 269310838 /nfs/dbraw/zinc/31/08/38/269310838.db2.gz RWVHUOQXZLIVEZ-GPINWOSQSA-N 1 2 343.427 2.154 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000279847272 269310839 /nfs/dbraw/zinc/31/08/39/269310839.db2.gz RWVHUOQXZLIVEZ-GPINWOSQSA-N 1 2 343.427 2.154 20 30 EEEDLO CC1(C)C[NH+]=C(N2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)S1 ZINC000075110072 273585923 /nfs/dbraw/zinc/58/59/23/273585923.db2.gz RSEDBUVMDSHVTB-UHFFFAOYSA-N 1 2 345.428 2.470 20 30 EEEDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2ccnc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000563548594 319022467 /nfs/dbraw/zinc/02/24/67/319022467.db2.gz ITHOLTDXHGIBCD-RHSMWYFYSA-N 1 2 343.818 2.485 20 30 EEEDLO C[N@H+]1CCO[C@@H]([C@H](Nc2ccnc(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000563548594 319022469 /nfs/dbraw/zinc/02/24/69/319022469.db2.gz ITHOLTDXHGIBCD-RHSMWYFYSA-N 1 2 343.818 2.485 20 30 EEEDLO CN(CC[NH+]1CCOCC1)c1nc2c(cc1C#N)CCCC2(C)C ZINC000569766564 319605539 /nfs/dbraw/zinc/60/55/39/319605539.db2.gz UNHZZDRWGAAPRU-UHFFFAOYSA-N 1 2 328.460 2.336 20 30 EEEDLO CCc1ccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)nc1 ZINC000339052085 465053431 /nfs/dbraw/zinc/05/34/31/465053431.db2.gz CTTFCWTYLZPEMT-FOIQADDNSA-N 1 2 332.407 2.489 20 30 EEEDLO CCc1ccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)nc1 ZINC000339052085 465053435 /nfs/dbraw/zinc/05/34/35/465053435.db2.gz CTTFCWTYLZPEMT-FOIQADDNSA-N 1 2 332.407 2.489 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](NC(=O)CC)C2)c1C ZINC000354676826 465090070 /nfs/dbraw/zinc/09/00/70/465090070.db2.gz IOGBNSHKVDIGKI-MRXNPFEDSA-N 1 2 331.460 2.464 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](NC(=O)CC)C2)c1C ZINC000354676826 465090077 /nfs/dbraw/zinc/09/00/77/465090077.db2.gz IOGBNSHKVDIGKI-MRXNPFEDSA-N 1 2 331.460 2.464 20 30 EEEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000328662022 465092329 /nfs/dbraw/zinc/09/23/29/465092329.db2.gz AOUOXJZTQWWSHO-USXIJHARSA-N 1 2 344.459 2.223 20 30 EEEDLO O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328946013 465178333 /nfs/dbraw/zinc/17/83/33/465178333.db2.gz MFLGBTZXEKLWNJ-KBPBESRZSA-N 1 2 330.432 2.336 20 30 EEEDLO C[C@H]1CN(C(=O)Nc2scnc2C2CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000328938408 465174952 /nfs/dbraw/zinc/17/49/52/465174952.db2.gz 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C#CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000297713170 465267056 /nfs/dbraw/zinc/26/70/56/465267056.db2.gz BAERWHBWMXFOMN-KRWDZBQOSA-N 1 2 340.402 2.108 20 30 EEEDLO C=CC[C@@H](CO)CNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000341873557 465271591 /nfs/dbraw/zinc/27/15/91/465271591.db2.gz ZVOAIDXVFPDEDQ-MRXNPFEDSA-N 1 2 332.448 2.056 20 30 EEEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCO[C@@H](C)C1)C1CCOCC1 ZINC000329252268 465280557 /nfs/dbraw/zinc/28/05/57/465280557.db2.gz YLKSOFMZLGOUPX-DZGCQCFKSA-N 1 2 336.436 2.005 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000341992207 465282308 /nfs/dbraw/zinc/28/23/08/465282308.db2.gz OSUXYCDLRFXBQG-UHFFFAOYSA-N 1 2 340.427 2.185 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000341993023 465282368 /nfs/dbraw/zinc/28/23/68/465282368.db2.gz OADMHKAITVLONR-CYBMUJFWSA-N 1 2 346.387 2.174 20 30 EEEDLO O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329328528 465300830 /nfs/dbraw/zinc/30/08/30/465300830.db2.gz UYDYDXZMRUYXET-GJZGRUSLSA-N 1 2 345.447 2.082 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1C#N ZINC000329375468 465315848 /nfs/dbraw/zinc/31/58/48/465315848.db2.gz LJUWAADXTGICOG-DGCLKSJQSA-N 1 2 346.456 2.080 20 30 EEEDLO COc1cc(C[N@H+](CCC#N)C(C)C)cc(Cl)c1OCC(N)=O ZINC000535077075 468297590 /nfs/dbraw/zinc/29/75/90/468297590.db2.gz FDITVIRFBMXKQM-UHFFFAOYSA-N 1 2 339.823 2.337 20 30 EEEDLO COc1cc(C[N@@H+](CCC#N)C(C)C)cc(Cl)c1OCC(N)=O ZINC000535077075 468297597 /nfs/dbraw/zinc/29/75/97/468297597.db2.gz FDITVIRFBMXKQM-UHFFFAOYSA-N 1 2 339.823 2.337 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+](CC(=O)N(CC=C)CC=C)C(C)C ZINC000298425316 465392910 /nfs/dbraw/zinc/39/29/10/465392910.db2.gz LWQSHPDWZVFZCP-UHFFFAOYSA-N 1 2 333.476 2.098 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481711 462553067 /nfs/dbraw/zinc/55/30/67/462553067.db2.gz MGTRJPHLLKXBJE-OAHLLOKOSA-N 1 2 335.411 2.102 20 30 EEEDLO 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COc1ccc(C[NH2+][C@H](C)c2ncnn2C)cc1OCCCC#N ZINC000276747337 463742110 /nfs/dbraw/zinc/74/21/10/463742110.db2.gz SLWKLAXWTRXQCZ-CYBMUJFWSA-N 1 2 329.404 2.357 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255682828 463742354 /nfs/dbraw/zinc/74/23/54/463742354.db2.gz QTRXDVGMBNXNKJ-OEPRFQHASA-N 1 2 340.471 2.078 20 30 EEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000255682828 463742359 /nfs/dbraw/zinc/74/23/59/463742359.db2.gz QTRXDVGMBNXNKJ-OEPRFQHASA-N 1 2 340.471 2.078 20 30 EEEDLO CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CCc2[nH]cc[nH+]2)C1=O ZINC000286968145 463757629 /nfs/dbraw/zinc/75/76/29/463757629.db2.gz DRLXTEQSSKJBMU-QGZVFWFLSA-N 1 2 349.435 2.045 20 30 EEEDLO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)Nc2cc(C)[nH+]cc2C#N)s1 ZINC000568742932 468380217 /nfs/dbraw/zinc/38/02/17/468380217.db2.gz YHDROXMLIYVDBO-GHMZBOCLSA-N 1 2 344.444 2.173 20 30 EEEDLO C=CCSCCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000194561272 463885338 /nfs/dbraw/zinc/88/53/38/463885338.db2.gz WUWGRJDOWLMBBU-UHFFFAOYSA-N 1 2 349.500 2.237 20 30 EEEDLO C=CC[C@@]1(C(=O)NCc2[nH]cc[nH+]2)CCCN1C(=O)OC(C)(C)C ZINC000277263027 463907798 /nfs/dbraw/zinc/90/77/98/463907798.db2.gz NPWQDNFVQSIMRR-KRWDZBQOSA-N 1 2 334.420 2.372 20 30 EEEDLO COC[C@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000179009389 464035718 /nfs/dbraw/zinc/03/57/18/464035718.db2.gz NIEFMJJNCALYJL-OAHLLOKOSA-N 1 2 329.318 2.284 20 30 EEEDLO COC[C@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000179009389 464035726 /nfs/dbraw/zinc/03/57/26/464035726.db2.gz NIEFMJJNCALYJL-OAHLLOKOSA-N 1 2 329.318 2.284 20 30 EEEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)O[NH+]=C(N)[C@H]1CCCO1 ZINC000283973396 464054540 /nfs/dbraw/zinc/05/45/40/464054540.db2.gz GKXAAEKKXBJMCG-NOZJJQNGSA-N 1 2 341.795 2.143 20 30 EEEDLO C#CCn1ccc(CN(CC)Cc2[nH+]ccn2CC(F)(F)F)n1 ZINC000279729396 464134869 /nfs/dbraw/zinc/13/48/69/464134869.db2.gz MZCUBEBAORUFSC-UHFFFAOYSA-N 1 2 325.338 2.297 20 30 EEEDLO COc1c(O)cccc1C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000291517883 464155900 /nfs/dbraw/zinc/15/59/00/464155900.db2.gz IUILYFIHXHNLEQ-UHFFFAOYSA-N 1 2 344.440 2.360 20 30 EEEDLO NC(=[NH+]OCc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1CCCO1 ZINC000284442021 464193277 /nfs/dbraw/zinc/19/32/77/464193277.db2.gz PKABIBFBGUDUFL-INIZCTEOSA-N 1 2 331.416 2.281 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cnn(CC(C)C)c2C(F)F)CC1 ZINC000270333164 464251897 /nfs/dbraw/zinc/25/18/97/464251897.db2.gz IRJXBKZSQZFVCX-UHFFFAOYSA-N 1 2 338.402 2.258 20 30 EEEDLO C#CCCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000173522353 464275944 /nfs/dbraw/zinc/27/59/44/464275944.db2.gz RYXTXDURVGUSDD-UHFFFAOYSA-N 1 2 338.411 2.231 20 30 EEEDLO C=C1CC[NH+](CC(=O)N(C)CC(=O)Nc2ccccc2Cl)CC1 ZINC000264495366 464349065 /nfs/dbraw/zinc/34/90/65/464349065.db2.gz UHTHIDKVRFZVBS-UHFFFAOYSA-N 1 2 335.835 2.389 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)C1=O ZINC000281197267 464366992 /nfs/dbraw/zinc/36/69/92/464366992.db2.gz ITQQZIYUGKIBLE-SFHVURJKSA-N 1 2 342.418 2.289 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)C1=O ZINC000281197267 464366997 /nfs/dbraw/zinc/36/69/97/464366997.db2.gz ITQQZIYUGKIBLE-SFHVURJKSA-N 1 2 342.418 2.289 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000292988292 464379175 /nfs/dbraw/zinc/37/91/75/464379175.db2.gz BXNAXULDDFRDEG-QGZVFWFLSA-N 1 2 342.439 2.467 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000292988292 464379182 /nfs/dbraw/zinc/37/91/82/464379182.db2.gz BXNAXULDDFRDEG-QGZVFWFLSA-N 1 2 342.439 2.467 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)c2nc3ccccc3c(=O)[nH]2)C1=O ZINC000281235155 464381897 /nfs/dbraw/zinc/38/18/97/464381897.db2.gz FRLUAZDQEKVUBX-DOMZBBRYSA-N 1 2 326.400 2.115 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2nc3ccccc3c(=O)[nH]2)C1=O ZINC000281235155 464381902 /nfs/dbraw/zinc/38/19/02/464381902.db2.gz FRLUAZDQEKVUBX-DOMZBBRYSA-N 1 2 326.400 2.115 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000174579356 464425308 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C=CCN1CC[C@@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C1=O ZINC000281942593 464642916 /nfs/dbraw/zinc/64/29/16/464642916.db2.gz IXAVLDHEMMUREY-MBNRZODZSA-N 1 2 325.456 2.104 20 30 EEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000247782708 464706720 /nfs/dbraw/zinc/70/67/20/464706720.db2.gz XVWMXBHZIGLXAZ-ZDUSSCGKSA-N 1 2 339.848 2.070 20 30 EEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000247782708 464706727 /nfs/dbraw/zinc/70/67/27/464706727.db2.gz XVWMXBHZIGLXAZ-ZDUSSCGKSA-N 1 2 339.848 2.070 20 30 EEEDLO COC(=O)N1CCN(c2ccc(N[C@@H]3CCC[C@H](C#N)C3)c[nH+]2)CC1 ZINC000295123517 464713500 /nfs/dbraw/zinc/71/35/00/464713500.db2.gz YWRGZQFPVGIVIY-LSDHHAIUSA-N 1 2 343.431 2.464 20 30 EEEDLO CO/N=C/c1ccc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)cc1 ZINC000273788880 464726117 /nfs/dbraw/zinc/72/61/17/464726117.db2.gz GMPJKXSQDJAVOX-BFERYNQYSA-N 1 2 328.372 2.253 20 30 EEEDLO CO/N=C/c1ccc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)cc1 ZINC000273788880 464726118 /nfs/dbraw/zinc/72/61/18/464726118.db2.gz GMPJKXSQDJAVOX-BFERYNQYSA-N 1 2 328.372 2.253 20 30 EEEDLO CCN(CC)C(=O)N1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000282360198 464788047 /nfs/dbraw/zinc/78/80/47/464788047.db2.gz PSVPLCRGLQUQGO-UHFFFAOYSA-N 1 2 330.432 2.146 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2CC#Cc2ccc(F)cc2)O1 ZINC000282446024 464821401 /nfs/dbraw/zinc/82/14/01/464821401.db2.gz LMNBCGZFGQZJKM-ZSGPHXLJSA-N 1 2 331.387 2.361 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2CC#Cc2ccc(F)cc2)O1 ZINC000282446024 464821404 /nfs/dbraw/zinc/82/14/04/464821404.db2.gz LMNBCGZFGQZJKM-ZSGPHXLJSA-N 1 2 331.387 2.361 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@@H]2CC=CCC2)cn1 ZINC000329967915 465491178 /nfs/dbraw/zinc/49/11/78/465491178.db2.gz WKDBWPHWNGNRDC-PVAVHDDUSA-N 1 2 349.454 2.192 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@@H]2CC=CCC2)cn1 ZINC000329967915 465491182 /nfs/dbraw/zinc/49/11/82/465491182.db2.gz WKDBWPHWNGNRDC-PVAVHDDUSA-N 1 2 349.454 2.192 20 30 EEEDLO C=CCn1c(CC2CC2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000282676608 464907060 /nfs/dbraw/zinc/90/70/60/464907060.db2.gz SHCMZGQRTJRFPU-UHFFFAOYSA-N 1 2 327.432 2.332 20 30 EEEDLO CCn1cc[nH+]c1CNC(=O)CCCOc1ccc(C#N)cc1OC ZINC000295711085 464937055 /nfs/dbraw/zinc/93/70/55/464937055.db2.gz JSNLMUQMLFLIGK-UHFFFAOYSA-N 1 2 342.399 2.259 20 30 EEEDLO COc1cccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1F ZINC000192960862 465019202 /nfs/dbraw/zinc/01/92/02/465019202.db2.gz LMDBTAPFEBQKGB-CYBMUJFWSA-N 1 2 341.390 2.207 20 30 EEEDLO COc1cccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1F ZINC000192960862 465019206 /nfs/dbraw/zinc/01/92/06/465019206.db2.gz LMDBTAPFEBQKGB-CYBMUJFWSA-N 1 2 341.390 2.207 20 30 EEEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)N[C@@H]1CCCc2ccccc21 ZINC000329416477 465326476 /nfs/dbraw/zinc/32/64/76/465326476.db2.gz FSGMCVBLVQFBLO-CABCVRRESA-N 1 2 342.399 2.097 20 30 EEEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)N[C@@H]1CCCc2ccccc21 ZINC000329416477 465326478 /nfs/dbraw/zinc/32/64/78/465326478.db2.gz FSGMCVBLVQFBLO-CABCVRRESA-N 1 2 342.399 2.097 20 30 EEEDLO CC1(C#N)CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000329475172 465345693 /nfs/dbraw/zinc/34/56/93/465345693.db2.gz BCRLDDHDOUHEBD-UHFFFAOYSA-N 1 2 327.428 2.285 20 30 EEEDLO C=CCn1c(CC)nnc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000554625728 468433536 /nfs/dbraw/zinc/43/35/36/468433536.db2.gz SOUZCMSUQQITLY-CYBMUJFWSA-N 1 2 332.477 2.366 20 30 EEEDLO C=CCCCCCN(C)C(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000298676963 465468909 /nfs/dbraw/zinc/46/89/09/465468909.db2.gz MNRIPGAWRPTCJE-UHFFFAOYSA-N 1 2 332.448 2.251 20 30 EEEDLO C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329926577 465476783 /nfs/dbraw/zinc/47/67/83/465476783.db2.gz WIDDTNPJAVIMGT-JTDSTZFVSA-N 1 2 332.444 2.454 20 30 EEEDLO C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329926577 465476786 /nfs/dbraw/zinc/47/67/86/465476786.db2.gz WIDDTNPJAVIMGT-JTDSTZFVSA-N 1 2 332.444 2.454 20 30 EEEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000339740500 465480296 /nfs/dbraw/zinc/48/02/96/465480296.db2.gz JETJSYPIOMLKRM-KGLIPLIRSA-N 1 2 328.372 2.045 20 30 EEEDLO Cc1cn2cc(NC(=O)N3CCC(O[C@@H]4CCOC4)CC3)ccc2[nH+]1 ZINC000330097469 465532471 /nfs/dbraw/zinc/53/24/71/465532471.db2.gz ATLWMHNKCDNYQX-MRXNPFEDSA-N 1 2 344.415 2.458 20 30 EEEDLO C[C@@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)C[C@@]2(CCCOC2)O1 ZINC000330121393 465539024 /nfs/dbraw/zinc/53/90/24/465539024.db2.gz JOFVPQBJTDKYJA-RDTXWAMCSA-N 1 2 344.415 2.018 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C(=O)OC ZINC000360542488 465577591 /nfs/dbraw/zinc/57/75/91/465577591.db2.gz JIFLPPDJBHMWEE-NXHRZFHOSA-N 1 2 347.455 2.428 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C(=O)OC ZINC000360542488 465577597 /nfs/dbraw/zinc/57/75/97/465577597.db2.gz JIFLPPDJBHMWEE-NXHRZFHOSA-N 1 2 347.455 2.428 20 30 EEEDLO C[C@@H]1CC[S@@](=O)CCN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000330247642 465584883 /nfs/dbraw/zinc/58/48/83/465584883.db2.gz LVODHXBVIXWOCP-YEBMWUKDSA-N 1 2 346.456 2.476 20 30 EEEDLO O=C(N[C@H]1CCOC2(CCOCC2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330248747 465585259 /nfs/dbraw/zinc/58/52/59/465585259.db2.gz ZMKDZXICCNKKFG-HNNXBMFYSA-N 1 2 348.447 2.231 20 30 EEEDLO Cc1c(C#N)cccc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000337909428 465674265 /nfs/dbraw/zinc/67/42/65/465674265.db2.gz XFQXSMXPYLXGEH-UHFFFAOYSA-N 1 2 336.395 2.028 20 30 EEEDLO C=C(C)C[N@@H+](Cc1ccc(C(=O)N(C)C)[nH]1)Cc1ccc(CO)o1 ZINC000348644243 465726828 /nfs/dbraw/zinc/72/68/28/465726828.db2.gz MTUXAMJPHIEBLY-UHFFFAOYSA-N 1 2 331.416 2.380 20 30 EEEDLO C=C(C)C[N@H+](Cc1ccc(C(=O)N(C)C)[nH]1)Cc1ccc(CO)o1 ZINC000348644243 465726835 /nfs/dbraw/zinc/72/68/35/465726835.db2.gz MTUXAMJPHIEBLY-UHFFFAOYSA-N 1 2 331.416 2.380 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000340093851 465761106 /nfs/dbraw/zinc/76/11/06/465761106.db2.gz CYNLPBONZIUMGJ-HNNXBMFYSA-N 1 2 344.459 2.159 20 30 EEEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)C2(CCCCC2)C1 ZINC000366618284 465835757 /nfs/dbraw/zinc/83/57/57/465835757.db2.gz FZVDCGOKCNQEIE-UHFFFAOYSA-N 1 2 339.486 2.259 20 30 EEEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)C2(CCCCC2)C1 ZINC000366618284 465835764 /nfs/dbraw/zinc/83/57/64/465835764.db2.gz FZVDCGOKCNQEIE-UHFFFAOYSA-N 1 2 339.486 2.259 20 30 EEEDLO CC(C)(CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000330999839 465891407 /nfs/dbraw/zinc/89/14/07/465891407.db2.gz VRHHWRCIOFRJMX-UHFFFAOYSA-N 1 2 340.355 2.171 20 30 EEEDLO CN(C(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000301206149 465919989 /nfs/dbraw/zinc/91/99/89/465919989.db2.gz RTCCCXBAZQVDPI-UHFFFAOYSA-N 1 2 340.471 2.471 20 30 EEEDLO CCc1nc(C)c(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)s1 ZINC000331167277 465964415 /nfs/dbraw/zinc/96/44/15/465964415.db2.gz BPRHCNLHODBIKQ-ZYHUDNBSSA-N 1 2 326.466 2.449 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1C#N ZINC000331301089 466020860 /nfs/dbraw/zinc/02/08/60/466020860.db2.gz RIWWSUAEIVCOHP-UHFFFAOYSA-N 1 2 348.472 2.233 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1C#N ZINC000331301089 466020865 /nfs/dbraw/zinc/02/08/65/466020865.db2.gz RIWWSUAEIVCOHP-UHFFFAOYSA-N 1 2 348.472 2.233 20 30 EEEDLO C=C(C)Cn1c(C2CC2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000555256776 468466864 /nfs/dbraw/zinc/46/68/64/468466864.db2.gz RPICMNDATMAEQQ-UHFFFAOYSA-N 1 2 338.459 2.449 20 30 EEEDLO Cc1ccccc1CCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000349329174 466070504 /nfs/dbraw/zinc/07/05/04/466070504.db2.gz XZASLXORBSFAEJ-UHFFFAOYSA-N 1 2 329.444 2.002 20 30 EEEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(Cc3c(F)cccc3C#N)n2)C1 ZINC000349762362 466229580 /nfs/dbraw/zinc/22/95/80/466229580.db2.gz DTTQPWUCKATZLR-HNNXBMFYSA-N 1 2 330.363 2.453 20 30 EEEDLO CC(C)[N@H+]1CCO[C@H](c2noc(Cc3c(F)cccc3C#N)n2)C1 ZINC000349762362 466229588 /nfs/dbraw/zinc/22/95/88/466229588.db2.gz DTTQPWUCKATZLR-HNNXBMFYSA-N 1 2 330.363 2.453 20 30 EEEDLO COc1ccc2c(c1)OCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000338636323 466278796 /nfs/dbraw/zinc/27/87/96/466278796.db2.gz NYHYWGFIQWVFKY-AUUYWEPGSA-N 1 2 345.443 2.333 20 30 EEEDLO COc1ccc2c(c1)OCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000338636323 466278801 /nfs/dbraw/zinc/27/88/01/466278801.db2.gz NYHYWGFIQWVFKY-AUUYWEPGSA-N 1 2 345.443 2.333 20 30 EEEDLO Cn1c2ccc(NC(=O)C(=O)NCC(C)(C)C#N)cc2[nH+]c1C1CC1 ZINC000357914774 466315636 /nfs/dbraw/zinc/31/56/36/466315636.db2.gz PFWUOISGHXJYBX-UHFFFAOYSA-N 1 2 339.399 2.055 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000591589708 468487568 /nfs/dbraw/zinc/48/75/68/468487568.db2.gz CLZZUDZPIDXXON-IBGZPJMESA-N 1 2 348.512 2.469 20 30 EEEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)[C@@H]1C ZINC000347131467 466416421 /nfs/dbraw/zinc/41/64/21/466416421.db2.gz REMTUAQGJYAQQX-CHWSQXEVSA-N 1 2 347.440 2.124 20 30 EEEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)[C@@H]1C ZINC000347131467 466416425 /nfs/dbraw/zinc/41/64/25/466416425.db2.gz REMTUAQGJYAQQX-CHWSQXEVSA-N 1 2 347.440 2.124 20 30 EEEDLO C=CC[C@H](CC)NC(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000347159013 466439062 /nfs/dbraw/zinc/43/90/62/466439062.db2.gz QJLDKBRAUFOHOX-YEWWUXTCSA-N 1 2 344.459 2.333 20 30 EEEDLO COc1cccc(C(=O)N2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)c1OC ZINC000338940765 466505187 /nfs/dbraw/zinc/50/51/87/466505187.db2.gz GLYIALGWLMAWRE-LSDHHAIUSA-N 1 2 343.427 2.154 20 30 EEEDLO N#CCCn1cc(C[N@@H+]2CCc3nn[nH]c3C2)c(-c2ccccc2)n1 ZINC000597250652 468496535 /nfs/dbraw/zinc/49/65/35/468496535.db2.gz WPMOEMJMRAIYDY-UHFFFAOYSA-N 1 2 333.399 2.140 20 30 EEEDLO N#CCCn1cc(C[N@H+]2CCc3nn[nH]c3C2)c(-c2ccccc2)n1 ZINC000597250652 468496539 /nfs/dbraw/zinc/49/65/39/468496539.db2.gz WPMOEMJMRAIYDY-UHFFFAOYSA-N 1 2 333.399 2.140 20 30 EEEDLO COc1cc(OC)cc(C(=O)N2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000332470716 466542691 /nfs/dbraw/zinc/54/26/91/466542691.db2.gz SQHALHOAPMUDFM-GDBMZVCRSA-N 1 2 343.427 2.154 20 30 EEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000368522920 466658799 /nfs/dbraw/zinc/65/87/99/466658799.db2.gz BHSHFRATNJMMSO-LBPRGKRZSA-N 1 2 336.804 2.461 20 30 EEEDLO CCCCCCCCC(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000364479591 466702236 /nfs/dbraw/zinc/70/22/36/466702236.db2.gz MEYNFFDWFZOJAS-UHFFFAOYSA-N 1 2 325.497 2.407 20 30 EEEDLO CCCCCCCCC(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000364479591 466702242 /nfs/dbraw/zinc/70/22/42/466702242.db2.gz MEYNFFDWFZOJAS-UHFFFAOYSA-N 1 2 325.497 2.407 20 30 EEEDLO C=CCN1CC(=O)N(Cc2ccc(N3CCCCCC3)[nH+]c2)C1=O ZINC000364618214 466707379 /nfs/dbraw/zinc/70/73/79/466707379.db2.gz NYFSMZUSBDKCHO-UHFFFAOYSA-N 1 2 328.416 2.412 20 30 EEEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411326130 466806940 /nfs/dbraw/zinc/80/69/40/466806940.db2.gz HMFAXYQQPGVHAZ-SFHVURJKSA-N 1 2 346.519 2.479 20 30 EEEDLO C=CCC[C@@H](C(=O)N1CCC[N@@H+](CC(=O)NC)CC1)c1ccccc1 ZINC000375289557 466833864 /nfs/dbraw/zinc/83/38/64/466833864.db2.gz SIMVBRRWUCGBNB-GOSISDBHSA-N 1 2 343.471 2.017 20 30 EEEDLO C=CCC[C@@H](C(=O)N1CCC[N@H+](CC(=O)NC)CC1)c1ccccc1 ZINC000375289557 466833870 /nfs/dbraw/zinc/83/38/70/466833870.db2.gz SIMVBRRWUCGBNB-GOSISDBHSA-N 1 2 343.471 2.017 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](c3nnc(C)[nH]3)C2)c1C ZINC000412037500 466974389 /nfs/dbraw/zinc/97/43/89/466974389.db2.gz WKOWJLOVMVEYIH-HNNXBMFYSA-N 1 2 327.432 2.390 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)C2)c1C ZINC000412037500 466974391 /nfs/dbraw/zinc/97/43/91/466974391.db2.gz WKOWJLOVMVEYIH-HNNXBMFYSA-N 1 2 327.432 2.390 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](c3nc(C)n[nH]3)C2)c1C ZINC000412037500 466974393 /nfs/dbraw/zinc/97/43/93/466974393.db2.gz WKOWJLOVMVEYIH-HNNXBMFYSA-N 1 2 327.432 2.390 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](c3nc(C)n[nH]3)C2)c1C ZINC000412037500 466974395 /nfs/dbraw/zinc/97/43/95/466974395.db2.gz WKOWJLOVMVEYIH-HNNXBMFYSA-N 1 2 327.432 2.390 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](c3n[nH]c(C)n3)C2)c1C ZINC000412037500 466974396 /nfs/dbraw/zinc/97/43/96/466974396.db2.gz WKOWJLOVMVEYIH-HNNXBMFYSA-N 1 2 327.432 2.390 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](c3n[nH]c(C)n3)C2)c1C ZINC000412037500 466974398 /nfs/dbraw/zinc/97/43/98/466974398.db2.gz WKOWJLOVMVEYIH-HNNXBMFYSA-N 1 2 327.432 2.390 20 30 EEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)nn1 ZINC000424295967 467023617 /nfs/dbraw/zinc/02/36/17/467023617.db2.gz NWKJFJBEOBKMLS-LBPRGKRZSA-N 1 2 332.404 2.341 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377122720 467034199 /nfs/dbraw/zinc/03/41/99/467034199.db2.gz JIIPGKLRIMJJEQ-OAHLLOKOSA-N 1 2 337.464 2.106 20 30 EEEDLO C[C@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)n1cccn1 ZINC000424546541 467066290 /nfs/dbraw/zinc/06/62/90/467066290.db2.gz QWHNKZYENUHSGI-MRXNPFEDSA-N 1 2 337.427 2.050 20 30 EEEDLO COC(=O)[C@H](CNc1cc(C)[nH+]cc1C#N)Cc1ccccc1OC ZINC000425243026 467089692 /nfs/dbraw/zinc/08/96/92/467089692.db2.gz DPOSDLIEEDQYEK-HNNXBMFYSA-N 1 2 339.395 2.136 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CCCCC1 ZINC000377773595 467137887 /nfs/dbraw/zinc/13/78/87/467137887.db2.gz XNZXLXAGGADVKQ-DOTOQJQBSA-N 1 2 331.460 2.363 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CCCCC1 ZINC000377773595 467137888 /nfs/dbraw/zinc/13/78/88/467137888.db2.gz XNZXLXAGGADVKQ-DOTOQJQBSA-N 1 2 331.460 2.363 20 30 EEEDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCCc3cccc(C#N)c3)[nH+]cn2)C1 ZINC000413263393 467201082 /nfs/dbraw/zinc/20/10/82/467201082.db2.gz HDFMYKCLEBSMRV-RHSMWYFYSA-N 1 2 337.427 2.210 20 30 EEEDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCCc3cccc(C#N)c3)nc[nH+]2)C1 ZINC000413263393 467201086 /nfs/dbraw/zinc/20/10/86/467201086.db2.gz HDFMYKCLEBSMRV-RHSMWYFYSA-N 1 2 337.427 2.210 20 30 EEEDLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433315477 467317582 /nfs/dbraw/zinc/31/75/82/467317582.db2.gz FEOPRNHUJIWKSC-HNNXBMFYSA-N 1 2 345.443 2.156 20 30 EEEDLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433315477 467317585 /nfs/dbraw/zinc/31/75/85/467317585.db2.gz FEOPRNHUJIWKSC-HNNXBMFYSA-N 1 2 345.443 2.156 20 30 EEEDLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000453709009 467524570 /nfs/dbraw/zinc/52/45/70/467524570.db2.gz IRDXSQWBZYNEBI-LLVKDONJSA-N 1 2 348.472 2.018 20 30 EEEDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000453709009 467524573 /nfs/dbraw/zinc/52/45/73/467524573.db2.gz IRDXSQWBZYNEBI-LLVKDONJSA-N 1 2 348.472 2.018 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1c[nH]nc1-c1ccsc1 ZINC000437575172 467556948 /nfs/dbraw/zinc/55/69/48/467556948.db2.gz HILHBKBDHUFPKB-UHFFFAOYSA-N 1 2 345.472 2.186 20 30 EEEDLO CCOc1ccc2c(c1)CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C2 ZINC000441078267 467571438 /nfs/dbraw/zinc/57/14/38/467571438.db2.gz ITSHCVKOJKXZKX-IBGZPJMESA-N 1 2 327.428 2.252 20 30 EEEDLO CCOc1ccc2c(c1)CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C2 ZINC000441078267 467571440 /nfs/dbraw/zinc/57/14/40/467571440.db2.gz ITSHCVKOJKXZKX-IBGZPJMESA-N 1 2 327.428 2.252 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000526058785 467648988 /nfs/dbraw/zinc/64/89/88/467648988.db2.gz DUDMFERGZIHXFB-HNNXBMFYSA-N 1 2 337.427 2.255 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000526058785 467648989 /nfs/dbraw/zinc/64/89/89/467648989.db2.gz DUDMFERGZIHXFB-HNNXBMFYSA-N 1 2 337.427 2.255 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000457560355 467651997 /nfs/dbraw/zinc/65/19/97/467651997.db2.gz VMFJJCYRYNBWCI-CJNGLKHVSA-N 1 2 346.406 2.275 20 30 EEEDLO C=CC[N@H+](Cc1c[nH]nc1-c1ccsc1)[C@H]1CCS(=O)(=O)C1 ZINC000527108177 467654639 /nfs/dbraw/zinc/65/46/39/467654639.db2.gz IYWPERSIJLMKBV-AWEZNQCLSA-N 1 2 337.470 2.313 20 30 EEEDLO C=CC[N@@H+](Cc1c[nH]nc1-c1ccsc1)[C@H]1CCS(=O)(=O)C1 ZINC000527108177 467654643 /nfs/dbraw/zinc/65/46/43/467654643.db2.gz IYWPERSIJLMKBV-AWEZNQCLSA-N 1 2 337.470 2.313 20 30 EEEDLO CC(C)C[C@@H](CNc1ncc(C#N)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000450247877 467808470 /nfs/dbraw/zinc/80/84/70/467808470.db2.gz ZUSAMNJCYXMEQZ-AWEZNQCLSA-N 1 2 333.392 2.020 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000457399304 467815494 /nfs/dbraw/zinc/81/54/94/467815494.db2.gz JSDRPWMLNLWOTE-ROUUACIJSA-N 1 2 329.444 2.097 20 30 EEEDLO CC#CCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000458604918 467865811 /nfs/dbraw/zinc/86/58/11/467865811.db2.gz JGHNOFNHAZFZSP-DLBZAZTESA-N 1 2 349.862 2.376 20 30 EEEDLO CC#CCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000458604918 467865814 /nfs/dbraw/zinc/86/58/14/467865814.db2.gz JGHNOFNHAZFZSP-DLBZAZTESA-N 1 2 349.862 2.376 20 30 EEEDLO COc1cc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1OC(C)C ZINC000493341294 467890586 /nfs/dbraw/zinc/89/05/86/467890586.db2.gz VBTSOJSWSWYUCY-QIBOZCLASA-N 1 2 345.443 2.456 20 30 EEEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000471828559 467977325 /nfs/dbraw/zinc/97/73/25/467977325.db2.gz XJCGDCBMGAHIFW-QGZVFWFLSA-N 1 2 331.460 2.495 20 30 EEEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000471828559 467977326 /nfs/dbraw/zinc/97/73/26/467977326.db2.gz XJCGDCBMGAHIFW-QGZVFWFLSA-N 1 2 331.460 2.495 20 30 EEEDLO Cc1cccc([C@H](CNC(=O)C2(C#N)CC(C)C2)[NH+]2CCOCC2)c1 ZINC000531811087 468077390 /nfs/dbraw/zinc/07/73/90/468077390.db2.gz BXIDYHRKNAXNIV-IPCDKGFNSA-N 1 2 341.455 2.424 20 30 EEEDLO CC(C)[C@@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)c1[nH]cc[nH+]1 ZINC000566164741 468146316 /nfs/dbraw/zinc/14/63/16/468146316.db2.gz HREYKZVIJHXTEJ-OAHLLOKOSA-N 1 2 332.429 2.292 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)C(C)(C)CC=C)CC[N@H+]1C ZINC000566365129 468150074 /nfs/dbraw/zinc/15/00/74/468150074.db2.gz FQWWRCOMGRRWDX-MRXNPFEDSA-N 1 2 349.519 2.450 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)C(C)(C)CC=C)CC[N@@H+]1C ZINC000566365129 468150077 /nfs/dbraw/zinc/15/00/77/468150077.db2.gz FQWWRCOMGRRWDX-MRXNPFEDSA-N 1 2 349.519 2.450 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000577757010 468191934 /nfs/dbraw/zinc/19/19/34/468191934.db2.gz HLVRXOGQBLINKG-QGZVFWFLSA-N 1 2 328.441 2.313 20 30 EEEDLO N#CCCN(C(=O)C[N@@H+]1CCOC[C@H]1C1CCC1)c1ccccc1 ZINC000567812051 468215086 /nfs/dbraw/zinc/21/50/86/468215086.db2.gz CNECPSDKJNZFFK-SFHVURJKSA-N 1 2 327.428 2.434 20 30 EEEDLO N#CCCN(C(=O)C[N@H+]1CCOC[C@H]1C1CCC1)c1ccccc1 ZINC000567812051 468215092 /nfs/dbraw/zinc/21/50/92/468215092.db2.gz CNECPSDKJNZFFK-SFHVURJKSA-N 1 2 327.428 2.434 20 30 EEEDLO C#CC[N@@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@@H]1CCS(=O)(=O)C1 ZINC000490899706 468264653 /nfs/dbraw/zinc/26/46/53/468264653.db2.gz PRPACVYTXKUDKD-QGZVFWFLSA-N 1 2 347.480 2.413 20 30 EEEDLO C#CC[N@H+](Cc1ccc2c(c1)CCC(C)(C)O2)[C@@H]1CCS(=O)(=O)C1 ZINC000490899706 468264655 /nfs/dbraw/zinc/26/46/55/468264655.db2.gz PRPACVYTXKUDKD-QGZVFWFLSA-N 1 2 347.480 2.413 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000557562726 468636087 /nfs/dbraw/zinc/63/60/87/468636087.db2.gz UYVQPYADNXPRKP-CYBMUJFWSA-N 1 2 325.412 2.190 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000557562726 468636090 /nfs/dbraw/zinc/63/60/90/468636090.db2.gz UYVQPYADNXPRKP-CYBMUJFWSA-N 1 2 325.412 2.190 20 30 EEEDLO CC[C@H](NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccc(Cl)cc1 ZINC000592146076 468637544 /nfs/dbraw/zinc/63/75/44/468637544.db2.gz COGFEJRJMNKDHZ-RDJZCZTQSA-N 1 2 335.835 2.258 20 30 EEEDLO CC[C@H](NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccc(Cl)cc1 ZINC000592146076 468637550 /nfs/dbraw/zinc/63/75/50/468637550.db2.gz COGFEJRJMNKDHZ-RDJZCZTQSA-N 1 2 335.835 2.258 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1(C#N)CC1)c1ccccc1F ZINC000570624716 468666807 /nfs/dbraw/zinc/66/68/07/468666807.db2.gz PCFJHDWCKMHOLR-AWEZNQCLSA-N 1 2 327.363 2.252 20 30 EEEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000601366907 468843133 /nfs/dbraw/zinc/84/31/33/468843133.db2.gz JHVDHHWAGWKCGF-UHFFFAOYSA-N 1 2 348.403 2.297 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000593155595 468889477 /nfs/dbraw/zinc/88/94/77/468889477.db2.gz JMKLBRHSZJGCAI-CYBMUJFWSA-N 1 2 346.378 2.153 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cn(-c4ccccc4)nn3)C2)nc1 ZINC000562379024 468946418 /nfs/dbraw/zinc/94/64/18/468946418.db2.gz JEALUUKJGXVOEF-GOSISDBHSA-N 1 2 346.394 2.187 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cn(-c4ccccc4)nn3)C2)nc1 ZINC000562379024 468946422 /nfs/dbraw/zinc/94/64/22/468946422.db2.gz JEALUUKJGXVOEF-GOSISDBHSA-N 1 2 346.394 2.187 20 30 EEEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000602675731 469004274 /nfs/dbraw/zinc/00/42/74/469004274.db2.gz JLTQXGQVUPXDTL-OAHLLOKOSA-N 1 2 325.416 2.456 20 30 EEEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000595822582 469028509 /nfs/dbraw/zinc/02/85/09/469028509.db2.gz WSDSUYPNMDIWKS-UHFFFAOYSA-N 1 2 339.439 2.065 20 30 EEEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000595822582 469028515 /nfs/dbraw/zinc/02/85/15/469028515.db2.gz WSDSUYPNMDIWKS-UHFFFAOYSA-N 1 2 339.439 2.065 20 30 EEEDLO Cc1noc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(CC#N)cc2)n1 ZINC000586788688 469066949 /nfs/dbraw/zinc/06/69/49/469066949.db2.gz JZTUQFLPCIQRGM-DOTOQJQBSA-N 1 2 342.399 2.021 20 30 EEEDLO Cc1noc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(CC#N)cc2)n1 ZINC000586788688 469066957 /nfs/dbraw/zinc/06/69/57/469066957.db2.gz JZTUQFLPCIQRGM-DOTOQJQBSA-N 1 2 342.399 2.021 20 30 EEEDLO Cc1ccc(C#N)nc1N1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000596070237 469139055 /nfs/dbraw/zinc/13/90/55/469139055.db2.gz PFDOIQLKITVEGY-UHFFFAOYSA-N 1 2 335.411 2.022 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611175120 469182360 /nfs/dbraw/zinc/18/23/60/469182360.db2.gz UFXYMHHNWAJREU-MRXNPFEDSA-N 1 2 346.500 2.182 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000603017951 469223708 /nfs/dbraw/zinc/22/37/08/469223708.db2.gz ZCRNQDOVKSRCFM-SFHVURJKSA-N 1 2 332.423 2.002 20 30 EEEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)n2)c1 ZINC000573971240 469239001 /nfs/dbraw/zinc/23/90/01/469239001.db2.gz QJOSDTYBUFTUKL-HNNXBMFYSA-N 1 2 346.394 2.024 20 30 EEEDLO C[C@@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1cccc(C#N)c1 ZINC000611389087 469239247 /nfs/dbraw/zinc/23/92/47/469239247.db2.gz QKLJKGVKLGBEBQ-GFCCVEGCSA-N 1 2 328.441 2.496 20 30 EEEDLO N#Cc1cnn(-c2ccccc2)c1N1CC[NH+](Cc2ccncc2)CC1 ZINC000603268543 469330528 /nfs/dbraw/zinc/33/05/28/469330528.db2.gz IGPDMODTCRVRDW-UHFFFAOYSA-N 1 2 344.422 2.461 20 30 EEEDLO COC(=O)[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)Cc2ccccc21 ZINC000599682940 469336271 /nfs/dbraw/zinc/33/62/71/469336271.db2.gz VFXYBIDHZSHACO-SFHVURJKSA-N 1 2 349.390 2.269 20 30 EEEDLO COC(=O)[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)Cc2ccccc21 ZINC000599682940 469336272 /nfs/dbraw/zinc/33/62/72/469336272.db2.gz VFXYBIDHZSHACO-SFHVURJKSA-N 1 2 349.390 2.269 20 30 EEEDLO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612161176 469408076 /nfs/dbraw/zinc/40/80/76/469408076.db2.gz ONMXSTLILBMXAS-FXAWDEMLSA-N 1 2 340.471 2.349 20 30 EEEDLO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612161176 469408079 /nfs/dbraw/zinc/40/80/79/469408079.db2.gz ONMXSTLILBMXAS-FXAWDEMLSA-N 1 2 340.471 2.349 20 30 EEEDLO C[C@@]1(C#N)CCC[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000612163539 469409019 /nfs/dbraw/zinc/40/90/19/469409019.db2.gz WXAHKHMPLMQNOV-IBGZPJMESA-N 1 2 344.434 2.100 20 30 EEEDLO C[C@@]1(C#N)CCC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000612163539 469409022 /nfs/dbraw/zinc/40/90/22/469409022.db2.gz WXAHKHMPLMQNOV-IBGZPJMESA-N 1 2 344.434 2.100 20 30 EEEDLO C[C@]1(C#N)CCC[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000612163548 469409505 /nfs/dbraw/zinc/40/95/05/469409505.db2.gz WXAHKHMPLMQNOV-LJQANCHMSA-N 1 2 344.434 2.100 20 30 EEEDLO C[C@]1(C#N)CCC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000612163548 469409511 /nfs/dbraw/zinc/40/95/11/469409511.db2.gz WXAHKHMPLMQNOV-LJQANCHMSA-N 1 2 344.434 2.100 20 30 EEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612315952 469436750 /nfs/dbraw/zinc/43/67/50/469436750.db2.gz WTVRLIARXDCATN-SFHVURJKSA-N 1 2 343.431 2.384 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCC[C@@H]3C#N)CC2)cs1 ZINC000613166540 469645741 /nfs/dbraw/zinc/64/57/41/469645741.db2.gz VQGZORUIIXFIFV-ZBFHGGJFSA-N 1 2 347.488 2.361 20 30 EEEDLO Cc1nc(C[N@H+]2CCCN(C(=O)N[C@H]3CCC[C@@H]3C#N)CC2)cs1 ZINC000613166540 469645743 /nfs/dbraw/zinc/64/57/43/469645743.db2.gz VQGZORUIIXFIFV-ZBFHGGJFSA-N 1 2 347.488 2.361 20 30 EEEDLO C=CCCOCC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000620173438 469780617 /nfs/dbraw/zinc/78/06/17/469780617.db2.gz ALZUHNRQNCYIGS-SFHVURJKSA-N 1 2 332.444 2.077 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)NCCC2=CCCCC2)CC1 ZINC000609484716 469931791 /nfs/dbraw/zinc/93/17/91/469931791.db2.gz FCFVHWDKOVPJGY-GOSISDBHSA-N 1 2 332.492 2.159 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000609485338 469931839 /nfs/dbraw/zinc/93/18/39/469931839.db2.gz NPNCIDHCLAESBD-JYSRZZCRSA-N 1 2 334.508 2.236 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2=O)nn1 ZINC000657445579 471139948 /nfs/dbraw/zinc/13/99/48/471139948.db2.gz CCJXSNJQBQGXFG-SFHVURJKSA-N 1 2 339.443 2.053 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@H]2C)nn1 ZINC000657486005 471149941 /nfs/dbraw/zinc/14/99/41/471149941.db2.gz QJUKXOMVRLPVJX-HUUCEWRRSA-N 1 2 339.443 2.310 20 30 EEEDLO C=CCCNC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000661572563 471806818 /nfs/dbraw/zinc/80/68/18/471806818.db2.gz RWZBKHPBUIIARS-INIZCTEOSA-N 1 2 344.415 2.402 20 30 EEEDLO COCC#CC[NH+]1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000678528874 486642513 /nfs/dbraw/zinc/64/25/13/486642513.db2.gz ZQBJLKGOULVIEN-UHFFFAOYSA-N 1 2 335.835 2.448 20 30 EEEDLO C=CC[C@H](C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000427097538 534325504 /nfs/dbraw/zinc/32/55/04/534325504.db2.gz UFZBFENIRKQENE-IBGZPJMESA-N 1 2 338.455 2.424 20 30 EEEDLO O=C(Nc1nc(CN2CCOCC2)cs1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330255197 534333463 /nfs/dbraw/zinc/33/34/63/534333463.db2.gz JVFKSOFBPJTYHV-CQSZACIVSA-N 1 2 336.461 2.190 20 30 EEEDLO O=C(Nc1nc(CN2CCOCC2)cs1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330255197 534333465 /nfs/dbraw/zinc/33/34/65/534333465.db2.gz JVFKSOFBPJTYHV-CQSZACIVSA-N 1 2 336.461 2.190 20 30 EEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCCOc1ccc(F)cc1Cl ZINC000093887376 526689404 /nfs/dbraw/zinc/68/94/04/526689404.db2.gz FLXPXGYTBSJAES-UHFFFAOYSA-N 1 2 331.775 2.061 20 30 EEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105298857 526906061 /nfs/dbraw/zinc/90/60/61/526906061.db2.gz IAJSQFSKJAHYTM-CVEARBPZSA-N 1 2 347.434 2.080 20 30 EEEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000181394513 526957566 /nfs/dbraw/zinc/95/75/66/526957566.db2.gz FBSKRNKKOUYCLB-ZIAGYGMSSA-N 1 2 328.309 2.295 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000181394513 526957570 /nfs/dbraw/zinc/95/75/70/526957570.db2.gz FBSKRNKKOUYCLB-ZIAGYGMSSA-N 1 2 328.309 2.295 20 30 EEEDLO C=CC[C@@H](C)NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000117049284 527026153 /nfs/dbraw/zinc/02/61/53/527026153.db2.gz GCYIIZIPVZHWAL-AEFFLSMTSA-N 1 2 331.460 2.194 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000173783319 527114048 /nfs/dbraw/zinc/11/40/48/527114048.db2.gz NRQHDJNBWCHURH-KGLIPLIRSA-N 1 2 349.406 2.068 20 30 EEEDLO CC(C)(CC#N)CS(=O)(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000451210126 534981465 /nfs/dbraw/zinc/98/14/65/534981465.db2.gz QEXRKSDNSQAUIV-UHFFFAOYSA-N 1 2 332.429 2.232 20 30 EEEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000455694641 535186765 /nfs/dbraw/zinc/18/67/65/535186765.db2.gz XNFSOADKLIVYTH-GOSISDBHSA-N 1 2 341.455 2.106 20 30 EEEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000455694641 535186771 /nfs/dbraw/zinc/18/67/71/535186771.db2.gz XNFSOADKLIVYTH-GOSISDBHSA-N 1 2 341.455 2.106 20 30 EEEDLO C=CC1CC[NH+](Cn2nc(C3CC3)n(CCC(N)=O)c2=S)CC1 ZINC000732180867 577153679 /nfs/dbraw/zinc/15/36/79/577153679.db2.gz GNGBXQKKUJOJBB-UHFFFAOYSA-N 1 2 335.477 2.022 20 30 EEEDLO CC(C)(C#N)CS(=O)(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000773353989 577335904 /nfs/dbraw/zinc/33/59/04/577335904.db2.gz NULDJCDEHBTOOX-UHFFFAOYSA-N 1 2 346.456 2.095 20 30 EEEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)[C@H]1CCCO1 ZINC000773553937 577350377 /nfs/dbraw/zinc/35/03/77/577350377.db2.gz DCIWRZCZBAYBDY-HYVNUMGLSA-N 1 2 347.484 2.317 20 30 EEEDLO COc1cccc(S(C)(=O)=O)c1N=NC1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000767392159 577535935 /nfs/dbraw/zinc/53/59/35/577535935.db2.gz NVJSXTXYIDDNCF-LLVKDONJSA-N 1 2 337.445 2.123 20 30 EEEDLO COc1cccc(S(C)(=O)=O)c1N=NC1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000767392159 577535936 /nfs/dbraw/zinc/53/59/36/577535936.db2.gz NVJSXTXYIDDNCF-LLVKDONJSA-N 1 2 337.445 2.123 20 30 EEEDLO N#CCCCn1cc(C(=O)OCC[NH+]2CCOCC2)c2ccccc21 ZINC000769544643 577580242 /nfs/dbraw/zinc/58/02/42/577580242.db2.gz RDJOHXBXABKNKC-UHFFFAOYSA-N 1 2 341.411 2.434 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000769962572 577588083 /nfs/dbraw/zinc/58/80/83/577588083.db2.gz FTHIYZOOMVYLGJ-NSHDSACASA-N 1 2 334.441 2.306 20 30 EEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2 ZINC000769962572 577588084 /nfs/dbraw/zinc/58/80/84/577588084.db2.gz FTHIYZOOMVYLGJ-NSHDSACASA-N 1 2 334.441 2.306 20 30 EEEDLO c1cn(-c2ccc(N=NCc3nc(-c4ccccc4)no3)nn2)c[nH+]1 ZINC000761837790 577689864 /nfs/dbraw/zinc/68/98/64/577689864.db2.gz SKRUPMMSRFMVOD-UHFFFAOYSA-N 1 2 332.327 2.158 20 30 EEEDLO CN(C)c1nc(Cl)c(C=[NH+][N-]c2ccc(-n3cc[nH+]c3)nn2)s1 ZINC000761845929 577690033 /nfs/dbraw/zinc/69/00/33/577690033.db2.gz LBEBRZGVGUQBEX-UHFFFAOYSA-N 1 2 348.823 2.284 20 30 EEEDLO CCOC(=O)[C@H]1CCC(N=Nc2ccc(-n3cc[nH+]c3)nn2)[C@H](C)C1 ZINC000761858279 577690254 /nfs/dbraw/zinc/69/02/54/577690254.db2.gz RUAWXCVWDZWCNC-OLZOCXBDSA-N 1 2 342.403 2.430 20 30 EEEDLO Cc1ccc2[nH+]c(CNC(=O)C#Cc3ccc4c(c3)OCO4)cn2c1 ZINC000762057967 577694238 /nfs/dbraw/zinc/69/42/38/577694238.db2.gz YMNDQEQWVSCSNI-UHFFFAOYSA-N 1 2 333.347 2.039 20 30 EEEDLO Cn1c2ccccc2nc1[C@@H](C#N)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000753950202 577797157 /nfs/dbraw/zinc/79/71/57/577797157.db2.gz NYPNUUDBDUZCKH-OLZOCXBDSA-N 1 2 328.441 2.187 20 30 EEEDLO Cn1c2ccccc2nc1[C@@H](C#N)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000753950202 577797158 /nfs/dbraw/zinc/79/71/58/577797158.db2.gz NYPNUUDBDUZCKH-OLZOCXBDSA-N 1 2 328.441 2.187 20 30 EEEDLO CC(C)c1[nH+]c(C=NNC(=S)NC[C@H]2CCCO2)c2ccccn21 ZINC000755521042 577826145 /nfs/dbraw/zinc/82/61/45/577826145.db2.gz MHZIKAYTVOHNEX-CYBMUJFWSA-N 1 2 345.472 2.435 20 30 EEEDLO CC[C@@H](C)CN=Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000755699415 577829469 /nfs/dbraw/zinc/82/94/69/577829469.db2.gz YUZWUWIDCVZVJT-CQSZACIVSA-N 1 2 338.477 2.067 20 30 EEEDLO COC(=O)c1cccc(CO[NH+]=C(N)c2ccc(F)cc2)c1C#N ZINC000755816247 577832268 /nfs/dbraw/zinc/83/22/68/577832268.db2.gz NHLDUJATUCXEJR-UHFFFAOYSA-N 1 2 327.315 2.321 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)CC1 ZINC000742669793 577875103 /nfs/dbraw/zinc/87/51/03/577875103.db2.gz BSQUXCDBOKIMDU-UHFFFAOYSA-N 1 2 345.418 2.201 20 30 EEEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000745085293 577908518 /nfs/dbraw/zinc/90/85/18/577908518.db2.gz ZCXQFYAZCCOXDK-QWHCGFSZSA-N 1 2 335.429 2.045 20 30 EEEDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000745085293 577908519 /nfs/dbraw/zinc/90/85/19/577908519.db2.gz ZCXQFYAZCCOXDK-QWHCGFSZSA-N 1 2 335.429 2.045 20 30 EEEDLO FC(F)(F)CNC(=S)NN=C1CC[N@H+](Cc2ccccc2)C1 ZINC000746496933 577928863 /nfs/dbraw/zinc/92/88/63/577928863.db2.gz QNLCFXKKRLSGRE-UHFFFAOYSA-N 1 2 330.379 2.275 20 30 EEEDLO FC(F)(F)CNC(=S)NN=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000746496933 577928864 /nfs/dbraw/zinc/92/88/64/577928864.db2.gz QNLCFXKKRLSGRE-UHFFFAOYSA-N 1 2 330.379 2.275 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)COc2ccc3ccc(OC)cc3c2)CC1 ZINC000749874556 577983197 /nfs/dbraw/zinc/98/31/97/577983197.db2.gz MYQYMRMPZPDHNO-UHFFFAOYSA-N 1 2 338.407 2.005 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC(=O)Nc1c(C)cccc1C ZINC000742108892 578127513 /nfs/dbraw/zinc/12/75/13/578127513.db2.gz GFLZNYMULOPZJQ-KRWDZBQOSA-N 1 2 341.455 2.188 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC(=O)Nc1c(C)cccc1C ZINC000742108892 578127514 /nfs/dbraw/zinc/12/75/14/578127514.db2.gz GFLZNYMULOPZJQ-KRWDZBQOSA-N 1 2 341.455 2.188 20 30 EEEDLO C=C(Cl)CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000737030912 578233948 /nfs/dbraw/zinc/23/39/48/578233948.db2.gz XHQDXBGYIRCETC-ZDUSSCGKSA-N 1 2 342.896 2.088 20 30 EEEDLO CC1(C)CO[C@H](CC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000949250010 674621079 /nfs/dbraw/zinc/62/10/79/674621079.db2.gz JMGSJSASKBOREZ-GOSISDBHSA-N 1 2 341.455 2.408 20 30 EEEDLO C[C@H](NC(=O)[C@H]1CCCOC1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969388110 674932509 /nfs/dbraw/zinc/93/25/09/674932509.db2.gz BYMOHOUESLXNJX-BBRMVZONSA-N 1 2 345.418 2.060 20 30 EEEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC000969515190 675081639 /nfs/dbraw/zinc/08/16/39/675081639.db2.gz XWANRGZQOHOXTL-NSHDSACASA-N 1 2 343.818 2.185 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2nn(C)c3c2CCCC3)C1 ZINC000970459557 675909206 /nfs/dbraw/zinc/90/92/06/675909206.db2.gz LTLMBUYDLIOXCJ-GFCCVEGCSA-N 1 2 336.867 2.102 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnn(-c3ccccn3)c2)C1 ZINC000970523562 675960147 /nfs/dbraw/zinc/96/01/47/675960147.db2.gz OVRDDWIVJVULST-CYBMUJFWSA-N 1 2 345.834 2.070 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H](C)C1C[NH+]([C@H](C)c2ncccn2)C1 ZINC000969836447 675239505 /nfs/dbraw/zinc/23/95/05/675239505.db2.gz MODPEDMAVJCPQS-LSDHHAIUSA-N 1 2 339.443 2.275 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc(-n3cccn3)n2)C1 ZINC000970411545 675864146 /nfs/dbraw/zinc/86/41/46/675864146.db2.gz JHOLKDNVIYYACK-ZDUSSCGKSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001067568787 676318736 /nfs/dbraw/zinc/31/87/36/676318736.db2.gz SHFPSGUCMIJJPA-MRXNPFEDSA-N 1 2 346.475 2.109 20 30 EEEDLO C#Cc1ccc(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)cc1 ZINC000891313076 676355003 /nfs/dbraw/zinc/35/50/03/676355003.db2.gz GEUJMUDGPRJWKJ-KRWDZBQOSA-N 1 2 338.411 2.103 20 30 EEEDLO C#Cc1ccc(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)cc1 ZINC000891313076 676355004 /nfs/dbraw/zinc/35/50/04/676355004.db2.gz GEUJMUDGPRJWKJ-KRWDZBQOSA-N 1 2 338.411 2.103 20 30 EEEDLO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC000971225814 676448439 /nfs/dbraw/zinc/44/84/39/676448439.db2.gz NQWLJHAMLHGEPH-OAHLLOKOSA-N 1 2 345.418 2.345 20 30 EEEDLO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC000971225814 676448441 /nfs/dbraw/zinc/44/84/41/676448441.db2.gz NQWLJHAMLHGEPH-OAHLLOKOSA-N 1 2 345.418 2.345 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccoc2C)cc1C#N ZINC001038038429 676482885 /nfs/dbraw/zinc/48/28/85/676482885.db2.gz AIAXNHZACAKZJU-INIZCTEOSA-N 1 2 339.395 2.473 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccoc2C)cc1C#N ZINC001038038429 676482886 /nfs/dbraw/zinc/48/28/86/676482886.db2.gz AIAXNHZACAKZJU-INIZCTEOSA-N 1 2 339.395 2.473 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C3CC(C(C)(C)C)C3)CC2)C1 ZINC000949531497 676586357 /nfs/dbraw/zinc/58/63/57/676586357.db2.gz KGKFEHTXJOIZGN-UHFFFAOYSA-N 1 2 332.488 2.385 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C3CC(C(C)(C)C)C3)CC2)C1 ZINC000949531497 676586358 /nfs/dbraw/zinc/58/63/58/676586358.db2.gz KGKFEHTXJOIZGN-UHFFFAOYSA-N 1 2 332.488 2.385 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)c(C)o2)C1 ZINC000971556803 676624149 /nfs/dbraw/zinc/62/41/49/676624149.db2.gz VGPBJQMUMUJXEH-ZACQAIPSSA-N 1 2 347.459 2.305 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)c(C)o2)C1 ZINC000971556803 676624152 /nfs/dbraw/zinc/62/41/52/676624152.db2.gz VGPBJQMUMUJXEH-ZACQAIPSSA-N 1 2 347.459 2.305 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(C(C)C)s3)C2)C1 ZINC000972706851 679701527 /nfs/dbraw/zinc/70/15/27/679701527.db2.gz FBITYBYFKJOKJN-KRWDZBQOSA-N 1 2 335.473 2.369 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(C(C)C)s3)C2)C1 ZINC000972706851 679701529 /nfs/dbraw/zinc/70/15/29/679701529.db2.gz FBITYBYFKJOKJN-KRWDZBQOSA-N 1 2 335.473 2.369 20 30 EEEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cscn3)CC2)c(CO)c1 ZINC000892297348 678646753 /nfs/dbraw/zinc/64/67/53/678646753.db2.gz JYPXIJFMLXHANM-UHFFFAOYSA-N 1 2 328.441 2.219 20 30 EEEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cscn3)CC2)c(CO)c1 ZINC000892297348 678646756 /nfs/dbraw/zinc/64/67/56/678646756.db2.gz JYPXIJFMLXHANM-UHFFFAOYSA-N 1 2 328.441 2.219 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C)C2)C1 ZINC000972394497 678674930 /nfs/dbraw/zinc/67/49/30/678674930.db2.gz IUNHYTUUIRLPPS-HXUWFJFHSA-N 1 2 344.455 2.035 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C)C2)C1 ZINC000972394497 678674932 /nfs/dbraw/zinc/67/49/32/678674932.db2.gz IUNHYTUUIRLPPS-HXUWFJFHSA-N 1 2 344.455 2.035 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@]2(C1)C[N@H+](C[C@H](F)CC)CCO2 ZINC000972413697 678706441 /nfs/dbraw/zinc/70/64/41/678706441.db2.gz PCCMWFGLBSWGTE-VQIMIIECSA-N 1 2 349.450 2.339 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@]2(C1)C[N@@H+](C[C@H](F)CC)CCO2 ZINC000972413697 678706443 /nfs/dbraw/zinc/70/64/43/678706443.db2.gz PCCMWFGLBSWGTE-VQIMIIECSA-N 1 2 349.450 2.339 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@]3(C)c3ccccc3)C2)C1 ZINC000972471499 678817751 /nfs/dbraw/zinc/81/77/51/678817751.db2.gz KIOKDUUZJSOMNG-CEWLAPEOSA-N 1 2 340.467 2.454 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@]3(C)c3ccccc3)C2)C1 ZINC000972471499 678817754 /nfs/dbraw/zinc/81/77/54/678817754.db2.gz KIOKDUUZJSOMNG-CEWLAPEOSA-N 1 2 340.467 2.454 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4ncccc43)C2)C1 ZINC000972487930 678881024 /nfs/dbraw/zinc/88/10/24/678881024.db2.gz PIFISOGQIBJETJ-FQEVSTJZSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4ncccc43)C2)C1 ZINC000972487930 678881027 /nfs/dbraw/zinc/88/10/27/678881027.db2.gz PIFISOGQIBJETJ-FQEVSTJZSA-N 1 2 337.423 2.338 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)[C@@H](C)CO4)C2)C1 ZINC000972515500 679134019 /nfs/dbraw/zinc/13/40/19/679134019.db2.gz XMBGVMGJYMDNNZ-MGPUTAFESA-N 1 2 342.439 2.285 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)[C@@H](C)CO4)C2)C1 ZINC000972515500 679134020 /nfs/dbraw/zinc/13/40/20/679134020.db2.gz XMBGVMGJYMDNNZ-MGPUTAFESA-N 1 2 342.439 2.285 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2nc(C)no2)C1 ZINC001023416368 679297328 /nfs/dbraw/zinc/29/73/28/679297328.db2.gz YETUHCGYZUZVLO-HNNXBMFYSA-N 1 2 343.431 2.008 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@H+](Cc2nc(C)no2)C1 ZINC001023416368 679297329 /nfs/dbraw/zinc/29/73/29/679297329.db2.gz YETUHCGYZUZVLO-HNNXBMFYSA-N 1 2 343.431 2.008 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)c(CC)o3)C2)C1 ZINC000972634046 679469803 /nfs/dbraw/zinc/46/98/03/679469803.db2.gz JTNGAILSBAFOQO-LJQANCHMSA-N 1 2 330.428 2.091 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)c(CC)o3)C2)C1 ZINC000972634046 679469804 /nfs/dbraw/zinc/46/98/04/679469804.db2.gz JTNGAILSBAFOQO-LJQANCHMSA-N 1 2 330.428 2.091 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCc4ccccc43)C2)C1 ZINC000972691965 679613055 /nfs/dbraw/zinc/61/30/55/679613055.db2.gz KOAPNENLJKRXEM-SFTDATJTSA-N 1 2 340.467 2.380 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCc4ccccc43)C2)C1 ZINC000972691965 679613056 /nfs/dbraw/zinc/61/30/56/679613056.db2.gz KOAPNENLJKRXEM-SFTDATJTSA-N 1 2 340.467 2.380 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Cc3cccc(F)c3)C2)C1 ZINC000972693297 679615552 /nfs/dbraw/zinc/61/55/52/679615552.db2.gz YFYIKOSRZGGWEP-OXQOHEQNSA-N 1 2 346.446 2.494 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Cc3cccc(F)c3)C2)C1 ZINC000972693297 679615553 /nfs/dbraw/zinc/61/55/53/679615553.db2.gz YFYIKOSRZGGWEP-OXQOHEQNSA-N 1 2 346.446 2.494 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC4CCC3CC4)C2)C1 ZINC000972696488 679621674 /nfs/dbraw/zinc/62/16/74/679621674.db2.gz XHVZKZFNTZOCMB-SMRJSYMMSA-N 1 2 330.472 2.139 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC4CCC3CC4)C2)C1 ZINC000972696488 679621676 /nfs/dbraw/zinc/62/16/76/679621676.db2.gz XHVZKZFNTZOCMB-SMRJSYMMSA-N 1 2 330.472 2.139 20 30 EEEDLO O=C(NC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1)c1cnsn1 ZINC001024342480 679877741 /nfs/dbraw/zinc/87/77/41/679877741.db2.gz VWKHSUFUIGAYKW-MRXNPFEDSA-N 1 2 340.452 2.174 20 30 EEEDLO O=C(NC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1)c1cnsn1 ZINC001024342480 679877742 /nfs/dbraw/zinc/87/77/42/679877742.db2.gz VWKHSUFUIGAYKW-MRXNPFEDSA-N 1 2 340.452 2.174 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccon2)c(F)c1 ZINC001024343257 679877995 /nfs/dbraw/zinc/87/79/95/679877995.db2.gz NBRVPEDFMRQWIT-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccon2)c(F)c1 ZINC001024343257 679877996 /nfs/dbraw/zinc/87/79/96/679877996.db2.gz NBRVPEDFMRQWIT-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO Cn1cnc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)c1 ZINC001024391753 679893165 /nfs/dbraw/zinc/89/31/65/679893165.db2.gz DCQCHFSFTYLYGE-QGZVFWFLSA-N 1 2 337.427 2.076 20 30 EEEDLO Cn1cnc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)c1 ZINC001024391753 679893166 /nfs/dbraw/zinc/89/31/66/679893166.db2.gz DCQCHFSFTYLYGE-QGZVFWFLSA-N 1 2 337.427 2.076 20 30 EEEDLO O=C(NC[C@@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1)c1cnco1 ZINC001024583176 681233975 /nfs/dbraw/zinc/23/39/75/681233975.db2.gz IWTKAQAVPKZXTP-KRWDZBQOSA-N 1 2 341.386 2.450 20 30 EEEDLO O=C(NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1)c1cnco1 ZINC001024583176 681233980 /nfs/dbraw/zinc/23/39/80/681233980.db2.gz IWTKAQAVPKZXTP-KRWDZBQOSA-N 1 2 341.386 2.450 20 30 EEEDLO C[C@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000982824914 681335121 /nfs/dbraw/zinc/33/51/21/681335121.db2.gz KDOQMWINPDOCKT-RHSMWYFYSA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000982824914 681335126 /nfs/dbraw/zinc/33/51/26/681335126.db2.gz KDOQMWINPDOCKT-RHSMWYFYSA-N 1 2 345.418 2.157 20 30 EEEDLO Cc1nccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)n1 ZINC001024806134 681459414 /nfs/dbraw/zinc/45/94/14/681459414.db2.gz GBPXHSRMKAZLTF-GOSISDBHSA-N 1 2 349.438 2.441 20 30 EEEDLO Cc1nccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)n1 ZINC001024806134 681459415 /nfs/dbraw/zinc/45/94/15/681459415.db2.gz GBPXHSRMKAZLTF-GOSISDBHSA-N 1 2 349.438 2.441 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC000982696981 682053498 /nfs/dbraw/zinc/05/34/98/682053498.db2.gz TYDJUMJMGKJKAL-OAHLLOKOSA-N 1 2 344.459 2.053 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@@H+](C/C(Cl)=C\Cl)C2)c1 ZINC001028792266 682238831 /nfs/dbraw/zinc/23/88/31/682238831.db2.gz GGJPPULRQDEPJF-CODCLWSRSA-N 1 2 338.238 2.434 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+](C/C(Cl)=C\Cl)C2)c1 ZINC001028792266 682238835 /nfs/dbraw/zinc/23/88/35/682238835.db2.gz GGJPPULRQDEPJF-CODCLWSRSA-N 1 2 338.238 2.434 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C(C)(C)C1 ZINC000974857897 685625641 /nfs/dbraw/zinc/62/56/41/685625641.db2.gz VDBUOVGVYINUSW-UMVBOHGHSA-N 1 2 336.867 2.103 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C(C)(C)C1 ZINC000974857897 685625643 /nfs/dbraw/zinc/62/56/43/685625643.db2.gz VDBUOVGVYINUSW-UMVBOHGHSA-N 1 2 336.867 2.103 20 30 EEEDLO Cc1[nH]nc(Cl)c1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001038335995 683274487 /nfs/dbraw/zinc/27/44/87/683274487.db2.gz PCMGPQCPCUADGK-CQSZACIVSA-N 1 2 343.818 2.248 20 30 EEEDLO Cc1[nH]nc(Cl)c1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001038335995 683274490 /nfs/dbraw/zinc/27/44/90/683274490.db2.gz PCMGPQCPCUADGK-CQSZACIVSA-N 1 2 343.818 2.248 20 30 EEEDLO C=CCC1(C(=O)NCC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CCC1 ZINC001060462877 683303148 /nfs/dbraw/zinc/30/31/48/683303148.db2.gz MBGCVEXTQWOYGW-OAHLLOKOSA-N 1 2 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ZINC001027375023 687778693 /nfs/dbraw/zinc/77/86/93/687778693.db2.gz MLQGAYZMIFEKJD-INIZCTEOSA-N 1 2 341.415 2.228 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)on1 ZINC001006719216 688005998 /nfs/dbraw/zinc/00/59/98/688005998.db2.gz DRMJPHZCYGDODW-LBPRGKRZSA-N 1 2 330.413 2.311 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)on1 ZINC001006719216 688006004 /nfs/dbraw/zinc/00/60/04/688006004.db2.gz DRMJPHZCYGDODW-LBPRGKRZSA-N 1 2 330.413 2.311 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCCCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000987143929 689416567 /nfs/dbraw/zinc/41/65/67/689416567.db2.gz AFWYGFPCBOMHEA-OAHLLOKOSA-N 1 2 344.459 2.196 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000987143568 689416629 /nfs/dbraw/zinc/41/66/29/689416629.db2.gz AWVPJWSNQTYLEJ-LPHOPBHVSA-N 1 2 346.475 2.373 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)[C@H]1C ZINC000987311230 689593725 /nfs/dbraw/zinc/59/37/25/689593725.db2.gz 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C=C(C)CN1CC[C@]2(CCCN2C(=O)c2cccc3[nH+]ccn32)C1=O ZINC001269485366 1184305736 /nfs/dbraw/zinc/30/57/36/1184305736.db2.gz RGEBYEBYXXEEMY-LJQANCHMSA-N 1 2 338.411 2.118 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccnc(F)c2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088488980 1187020626 /nfs/dbraw/zinc/02/06/26/1187020626.db2.gz BCQQHKKDJUKTRD-DYVFJYSZSA-N 1 2 338.386 2.485 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccnc(F)c2)CC[N@H+]1Cc1ccccc1C#N ZINC001088488980 1187020631 /nfs/dbraw/zinc/02/06/31/1187020631.db2.gz BCQQHKKDJUKTRD-DYVFJYSZSA-N 1 2 338.386 2.485 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)c(O)c(F)c1 ZINC001272782866 1193496246 /nfs/dbraw/zinc/49/62/46/1193496246.db2.gz OJEOSZLDSPCNBU-GOSISDBHSA-N 1 2 334.366 2.261 20 30 EEEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)c(O)c(F)c1 ZINC001272782866 1193496248 /nfs/dbraw/zinc/49/62/48/1193496248.db2.gz OJEOSZLDSPCNBU-GOSISDBHSA-N 1 2 334.366 2.261 20 30 EEEDLO CCC[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001212053073 1187642154 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328.420 2.026 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3oc(=O)[nH]c32)[C@H]1C ZINC001088750759 1188427653 /nfs/dbraw/zinc/42/76/53/1188427653.db2.gz GLGVVNCZWJKCGG-PWSUYJOCSA-N 1 2 335.791 2.479 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3oc(=O)[nH]c32)[C@H]1C ZINC001088750759 1188427659 /nfs/dbraw/zinc/42/76/59/1188427659.db2.gz GLGVVNCZWJKCGG-PWSUYJOCSA-N 1 2 335.791 2.479 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C(F)=C(C)C ZINC001212120838 1188460419 /nfs/dbraw/zinc/46/04/19/1188460419.db2.gz WBVJIAJXJCFGBW-ZIAGYGMSSA-N 1 2 337.420 2.199 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C(F)=C(C)C ZINC001212120838 1188460421 /nfs/dbraw/zinc/46/04/21/1188460421.db2.gz WBVJIAJXJCFGBW-ZIAGYGMSSA-N 1 2 337.420 2.199 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)n(C)n3)[C@@H]2C)cc1 ZINC001088786883 1188511193 /nfs/dbraw/zinc/51/11/93/1188511193.db2.gz DOVNKKKWLNOKSB-BEFAXECRSA-N 1 2 336.439 2.103 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)n(C)n3)[C@@H]2C)cc1 ZINC001088786883 1188511196 /nfs/dbraw/zinc/51/11/96/1188511196.db2.gz DOVNKKKWLNOKSB-BEFAXECRSA-N 1 2 336.439 2.103 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cncc(Cl)c1)C2 ZINC001272855978 1193579417 /nfs/dbraw/zinc/57/94/17/1193579417.db2.gz JNYZEFUBRSLUSR-GOSISDBHSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cncc(Cl)c1)C2 ZINC001272855978 1193579419 /nfs/dbraw/zinc/57/94/19/1193579419.db2.gz JNYZEFUBRSLUSR-GOSISDBHSA-N 1 2 349.862 2.362 20 30 EEEDLO C[C@@H]1CCC[C@H](C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)C1 ZINC001272287867 1190744156 /nfs/dbraw/zinc/74/41/56/1190744156.db2.gz RBFSDSUXPSOMMD-WBVHZDCISA-N 1 2 340.471 2.367 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)/C=C/c2ccc[nH]2)cc1C#N ZINC001272491790 1190849395 /nfs/dbraw/zinc/84/93/95/1190849395.db2.gz UMSQYKUPDQYAAS-BWNRDHJKSA-N 1 2 349.438 2.113 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)/C=C/c2ccc[nH]2)cc1C#N ZINC001272491790 1190849398 /nfs/dbraw/zinc/84/93/98/1190849398.db2.gz UMSQYKUPDQYAAS-BWNRDHJKSA-N 1 2 349.438 2.113 20 30 EEEDLO C=CCN1C[C@]2(CC[N@@H+](Cc3c(F)cccc3Cl)C2)OCC1=O ZINC001272600169 1190912927 /nfs/dbraw/zinc/91/29/27/1190912927.db2.gz CGUBNCYAZKYMRT-QGZVFWFLSA-N 1 2 338.810 2.468 20 30 EEEDLO C=CCN1C[C@]2(CC[N@H+](Cc3c(F)cccc3Cl)C2)OCC1=O ZINC001272600169 1190912929 /nfs/dbraw/zinc/91/29/29/1190912929.db2.gz CGUBNCYAZKYMRT-QGZVFWFLSA-N 1 2 338.810 2.468 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H](C)c1ccc(CNC(=O)CCc2cnn[nH]2)cc1 ZINC001484563923 1191418934 /nfs/dbraw/zinc/41/89/34/1191418934.db2.gz XQRWAJCIUXMVLP-ZDUSSCGKSA-N 1 2 347.850 2.457 20 30 EEEDLO C=C(C)CN1CC2(C[NH+](Cc3cccc4[nH]ccc43)C2)OCC1=O ZINC001272687180 1191453247 /nfs/dbraw/zinc/45/32/47/1191453247.db2.gz MOQFUNJJMWLBOD-UHFFFAOYSA-N 1 2 325.412 2.157 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@H](C)CNC(=O)c2cc(C#N)c[nH]2)c(C)s1 ZINC001485287944 1191720389 /nfs/dbraw/zinc/72/03/89/1191720389.db2.gz FLWCMCBIXHVLLO-SNVBAGLBSA-N 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C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COc3ccccc3O2)C1 ZINC001033637609 1194985679 /nfs/dbraw/zinc/98/56/79/1194985679.db2.gz NMFITEZPBLBWBZ-CJNGLKHVSA-N 1 2 336.819 2.112 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COc3ccccc3O2)C1 ZINC001033637609 1194985682 /nfs/dbraw/zinc/98/56/82/1194985682.db2.gz NMFITEZPBLBWBZ-CJNGLKHVSA-N 1 2 336.819 2.112 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC001018046286 1224256354 /nfs/dbraw/zinc/25/63/54/1224256354.db2.gz YYEYGILDUWMMDY-OGWHTMIXSA-N 1 2 338.451 2.497 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC001018046286 1224256364 /nfs/dbraw/zinc/25/63/64/1224256364.db2.gz YYEYGILDUWMMDY-OGWHTMIXSA-N 1 2 338.451 2.497 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]nc3ccccc32)C1 ZINC001033684882 1195066528 /nfs/dbraw/zinc/06/65/28/1195066528.db2.gz NLQQKRWYOOOFCP-CYBMUJFWSA-N 1 2 332.835 2.391 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]nc3ccccc32)C1 ZINC001033684882 1195066530 /nfs/dbraw/zinc/06/65/30/1195066530.db2.gz NLQQKRWYOOOFCP-CYBMUJFWSA-N 1 2 332.835 2.391 20 30 EEEDLO CCN(C(=O)c1ccn[nH]1)[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033764558 1195227790 /nfs/dbraw/zinc/22/77/90/1195227790.db2.gz MCGSZXLYNKQPIN-HNNXBMFYSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1ccn[nH]1)[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033764558 1195227797 /nfs/dbraw/zinc/22/77/97/1195227797.db2.gz MCGSZXLYNKQPIN-HNNXBMFYSA-N 1 2 341.390 2.157 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)Oc1cccc(C)c1 ZINC001018059128 1224270814 /nfs/dbraw/zinc/27/08/14/1224270814.db2.gz KKMPAYOMXYKIIR-SCTDSRPQSA-N 1 2 326.440 2.461 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)Oc1cccc(C)c1 ZINC001018059128 1224270822 /nfs/dbraw/zinc/27/08/22/1224270822.db2.gz KKMPAYOMXYKIIR-SCTDSRPQSA-N 1 2 326.440 2.461 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001033836178 1195353321 /nfs/dbraw/zinc/35/33/21/1195353321.db2.gz GKMDBGGKVYDFAY-KSZLIROESA-N 1 2 347.459 2.387 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001033836178 1195353326 /nfs/dbraw/zinc/35/33/26/1195353326.db2.gz GKMDBGGKVYDFAY-KSZLIROESA-N 1 2 347.459 2.387 20 30 EEEDLO C#Cc1ccc(C(=O)N(CC)[C@H]2CC[N@@H+]([C@@H](C)c3ncccn3)C2)cn1 ZINC001034023486 1195676970 /nfs/dbraw/zinc/67/69/70/1195676970.db2.gz SAXKEIOAJZSKRO-YJBOKZPZSA-N 1 2 349.438 2.151 20 30 EEEDLO C#Cc1ccc(C(=O)N(CC)[C@H]2CC[N@H+]([C@@H](C)c3ncccn3)C2)cn1 ZINC001034023486 1195676974 /nfs/dbraw/zinc/67/69/74/1195676974.db2.gz SAXKEIOAJZSKRO-YJBOKZPZSA-N 1 2 349.438 2.151 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001034112449 1195794607 /nfs/dbraw/zinc/79/46/07/1195794607.db2.gz ANSNARJLYXXRMD-INIZCTEOSA-N 1 2 341.390 2.205 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001034112449 1195794611 /nfs/dbraw/zinc/79/46/11/1195794611.db2.gz ANSNARJLYXXRMD-INIZCTEOSA-N 1 2 341.390 2.205 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc3nnc(C)n3c2)C1 ZINC001034283862 1196047990 /nfs/dbraw/zinc/04/79/90/1196047990.db2.gz ZBOULFGRMBUVAQ-HNNXBMFYSA-N 1 2 347.850 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc3nnc(C)n3c2)C1 ZINC001034283862 1196047992 /nfs/dbraw/zinc/04/79/92/1196047992.db2.gz ZBOULFGRMBUVAQ-HNNXBMFYSA-N 1 2 347.850 2.375 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnc3c(c2)ncn3C)C1 ZINC001034339112 1196111381 /nfs/dbraw/zinc/11/13/81/1196111381.db2.gz CQXPAOQTFKYVCL-CQSZACIVSA-N 1 2 347.850 2.305 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnc3c(c2)ncn3C)C1 ZINC001034339112 1196111383 /nfs/dbraw/zinc/11/13/83/1196111383.db2.gz CQXPAOQTFKYVCL-CQSZACIVSA-N 1 2 347.850 2.305 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2noc3c2COCC3)C1 ZINC001034535994 1196355168 /nfs/dbraw/zinc/35/51/68/1196355168.db2.gz XBRHZYVPAYIUSX-GFCCVEGCSA-N 1 2 339.823 2.084 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2noc3c2COCC3)C1 ZINC001034535994 1196355170 /nfs/dbraw/zinc/35/51/70/1196355170.db2.gz XBRHZYVPAYIUSX-GFCCVEGCSA-N 1 2 339.823 2.084 20 30 EEEDLO Cc1nc(C[NH2+]Cc2ccc(CNC(=O)c3ccc(C#N)[nH]3)cc2)co1 ZINC001034815948 1196771437 /nfs/dbraw/zinc/77/14/37/1196771437.db2.gz SPTXUTVUQCKPIQ-UHFFFAOYSA-N 1 2 349.394 2.403 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc([C@@H](C)OC)no1 ZINC001035014562 1196984884 /nfs/dbraw/zinc/98/48/84/1196984884.db2.gz NCVXEOVAHWJYLM-CHWSQXEVSA-N 1 2 336.436 2.070 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(c2ccccc2)CCCO1 ZINC001018215285 1224479104 /nfs/dbraw/zinc/47/91/04/1224479104.db2.gz KMUQYOWSPMLFOW-SVFBPWRDSA-N 1 2 338.451 2.391 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(c2ccccc2)CCCO1 ZINC001018215285 1224479107 /nfs/dbraw/zinc/47/91/07/1224479107.db2.gz KMUQYOWSPMLFOW-SVFBPWRDSA-N 1 2 338.451 2.391 20 30 EEEDLO COCC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1sccc1Cl ZINC001411212120 1198920974 /nfs/dbraw/zinc/92/09/74/1198920974.db2.gz BCOXCTQWLQFCHG-LLVKDONJSA-N 1 2 329.853 2.126 20 30 EEEDLO COCC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1sccc1Cl ZINC001411212120 1198920975 /nfs/dbraw/zinc/92/09/75/1198920975.db2.gz BCOXCTQWLQFCHG-LLVKDONJSA-N 1 2 329.853 2.126 20 30 EEEDLO COCC[N@H+](CCNC(=O)c1cccs1)Cc1ccccc1C#N ZINC001411214151 1198924011 /nfs/dbraw/zinc/92/40/11/1198924011.db2.gz DZALEDRABNHTFF-UHFFFAOYSA-N 1 2 343.452 2.498 20 30 EEEDLO COCC[N@@H+](CCNC(=O)c1cccs1)Cc1ccccc1C#N ZINC001411214151 1198924013 /nfs/dbraw/zinc/92/40/13/1198924013.db2.gz DZALEDRABNHTFF-UHFFFAOYSA-N 1 2 343.452 2.498 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc(Cl)c1 ZINC001018249370 1224525667 /nfs/dbraw/zinc/52/56/67/1224525667.db2.gz OTHFYRNNDPIDMX-IYBDPMFKSA-N 1 2 332.831 2.417 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc(Cl)c1 ZINC001018249370 1224525672 /nfs/dbraw/zinc/52/56/72/1224525672.db2.gz OTHFYRNNDPIDMX-IYBDPMFKSA-N 1 2 332.831 2.417 20 30 EEEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(CS(C)(=O)=O)CC2)cc1 ZINC000814178651 1199328142 /nfs/dbraw/zinc/32/81/42/1199328142.db2.gz YDXTXLIZDLSVNJ-AWEZNQCLSA-N 1 2 336.457 2.234 20 30 EEEDLO COCC#CC[N@@H+]1C[C@H](NC(=O)c2ncc(Cl)s2)CC[C@H]1C ZINC001132169198 1199383224 /nfs/dbraw/zinc/38/32/24/1199383224.db2.gz KPMMLGIOYMDNHO-VXGBXAGGSA-N 1 2 341.864 2.029 20 30 EEEDLO COCC#CC[N@H+]1C[C@H](NC(=O)c2ncc(Cl)s2)CC[C@H]1C ZINC001132169198 1199383228 /nfs/dbraw/zinc/38/32/28/1199383228.db2.gz KPMMLGIOYMDNHO-VXGBXAGGSA-N 1 2 341.864 2.029 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001132234945 1199453658 /nfs/dbraw/zinc/45/36/58/1199453658.db2.gz HLIGEZHIVFDGLQ-RDJZCZTQSA-N 1 2 330.476 2.391 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001132234945 1199453660 /nfs/dbraw/zinc/45/36/60/1199453660.db2.gz HLIGEZHIVFDGLQ-RDJZCZTQSA-N 1 2 330.476 2.391 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCc2ccc(=O)[nH]c2)CC[C@H]1C ZINC001132240373 1199489653 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CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(F)c(F)c1 ZINC001018339168 1224624060 /nfs/dbraw/zinc/62/40/60/1224624060.db2.gz LZIHCGOUBAJCOC-OKILXGFUSA-N 1 2 334.366 2.042 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001114441827 1201962413 /nfs/dbraw/zinc/96/24/13/1201962413.db2.gz VBBPJJMSOSPDIM-DZGCQCFKSA-N 1 2 332.448 2.097 20 30 EEEDLO N#CCCCC[N@H+]1C[C@]2(F)CN(CCC(F)(F)F)C(=O)[C@]2(F)C1 ZINC001274043154 1204343008 /nfs/dbraw/zinc/34/30/08/1204343008.db2.gz MGPMKWMSRNMXME-QWHCGFSZSA-N 1 2 339.308 2.207 20 30 EEEDLO N#CCCCC[N@@H+]1C[C@]2(F)CN(CCC(F)(F)F)C(=O)[C@]2(F)C1 ZINC001274043154 1204343010 /nfs/dbraw/zinc/34/30/10/1204343010.db2.gz MGPMKWMSRNMXME-QWHCGFSZSA-N 1 2 339.308 2.207 20 30 EEEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc(C)cc1OCC)C2 ZINC001274213904 1204470819 /nfs/dbraw/zinc/47/08/19/1204470819.db2.gz VAKHOJBEWMPMHF-UHFFFAOYSA-N 1 2 344.455 2.383 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3c[nH]nc31)C2 ZINC001095417403 1205719014 /nfs/dbraw/zinc/71/90/14/1205719014.db2.gz QCCOPECBNFUSAB-KBXIAJHMSA-N 1 2 334.851 2.304 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3c[nH]nc31)C2 ZINC001095417403 1205719016 /nfs/dbraw/zinc/71/90/16/1205719016.db2.gz QCCOPECBNFUSAB-KBXIAJHMSA-N 1 2 334.851 2.304 20 30 EEEDLO CCc1cccc(C[NH+]2CC3(CN(Cc4cc(C#N)n(C)c4)C3)C2)n1 ZINC001276188141 1205824245 /nfs/dbraw/zinc/82/42/45/1205824245.db2.gz ZXKZIVPNSXXFIV-UHFFFAOYSA-N 1 2 335.455 2.172 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCOC2(CC[NH+](C/C(Cl)=C\Cl)CC2)C1 ZINC000949054087 1206036585 /nfs/dbraw/zinc/03/65/85/1206036585.db2.gz QZXVOAOCWIIKNF-OXBCTQFSSA-N 1 2 346.258 2.158 20 30 EEEDLO C[C@H](CC(C)(C)C#N)[NH2+]Cc1nn(C)cc1I ZINC000926540837 1206226642 /nfs/dbraw/zinc/22/66/42/1206226642.db2.gz MTCRVEJAGZPLFC-SECBINFHSA-N 1 2 346.216 2.443 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(OC)n1 ZINC001110934968 1206315519 /nfs/dbraw/zinc/31/55/19/1206315519.db2.gz SQFAGCJTCCPEPL-DZUCGIPZSA-N 1 2 344.459 2.309 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(OC)n1 ZINC001110934968 1206315522 /nfs/dbraw/zinc/31/55/22/1206315522.db2.gz SQFAGCJTCCPEPL-DZUCGIPZSA-N 1 2 344.459 2.309 20 30 EEEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000931145045 1206610796 /nfs/dbraw/zinc/61/07/96/1206610796.db2.gz BDKGPPMSBBINHZ-UHFFFAOYSA-N 1 2 340.395 2.400 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cnsn2)C[C@H]1C ZINC000947081115 1207606747 /nfs/dbraw/zinc/60/67/47/1207606747.db2.gz UJPRPFGZIKIDPK-ZJUUUORDSA-N 1 2 345.266 2.029 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cnsn2)C[C@H]1C ZINC000947081115 1207606748 /nfs/dbraw/zinc/60/67/48/1207606748.db2.gz UJPRPFGZIKIDPK-ZJUUUORDSA-N 1 2 345.266 2.029 20 30 EEEDLO C[C@@H]1C[C@@H](NC(=O)c2ccn[nH]2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947083829 1207627267 /nfs/dbraw/zinc/62/72/67/1207627267.db2.gz BORYLHBNOUJFSO-WBMJQRKESA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@@H]1C[C@@H](NC(=O)c2ccn[nH]2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947083829 1207627268 /nfs/dbraw/zinc/62/72/68/1207627268.db2.gz BORYLHBNOUJFSO-WBMJQRKESA-N 1 2 341.390 2.203 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2OC)C1 ZINC000932635786 1207642823 /nfs/dbraw/zinc/64/28/23/1207642823.db2.gz MPKCAOUOFNTMKC-ZFWWWQNUSA-N 1 2 332.400 2.073 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2OC)C1 ZINC000932635786 1207642824 /nfs/dbraw/zinc/64/28/24/1207642824.db2.gz MPKCAOUOFNTMKC-ZFWWWQNUSA-N 1 2 332.400 2.073 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ncc2ccccn21 ZINC001015271053 1225017003 /nfs/dbraw/zinc/01/70/03/1225017003.db2.gz LYJBKGMNTJLABY-GOSISDBHSA-N 1 2 344.418 2.190 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ncc2ccccn21 ZINC001015271053 1225017008 /nfs/dbraw/zinc/01/70/08/1225017008.db2.gz LYJBKGMNTJLABY-GOSISDBHSA-N 1 2 344.418 2.190 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cocn2)C[C@H]1C ZINC000947114312 1207877158 /nfs/dbraw/zinc/87/71/58/1207877158.db2.gz ZWBDTSNLCIBUOB-GHMZBOCLSA-N 1 2 328.210 2.166 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cocn2)C[C@H]1C ZINC000947114312 1207877162 /nfs/dbraw/zinc/87/71/62/1207877162.db2.gz ZWBDTSNLCIBUOB-GHMZBOCLSA-N 1 2 328.210 2.166 20 30 EEEDLO C[C@@H](CC(=O)NCCCN(C)c1cccc(F)c1C#N)n1cc[nH+]c1 ZINC001095753686 1208484572 /nfs/dbraw/zinc/48/45/72/1208484572.db2.gz SRGZYMHBCFXVJY-AWEZNQCLSA-N 1 2 343.406 2.488 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCN(C)c1cccc(F)c1C#N ZINC001095754645 1208485177 /nfs/dbraw/zinc/48/51/77/1208485177.db2.gz NXKIKBSLKJLADJ-CYBMUJFWSA-N 1 2 343.406 2.242 20 30 EEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCN(C)c1cccc(F)c1C#N ZINC001095754645 1208485179 /nfs/dbraw/zinc/48/51/79/1208485179.db2.gz NXKIKBSLKJLADJ-CYBMUJFWSA-N 1 2 343.406 2.242 20 30 EEEDLO C[C@H]1C[C@H](NC(=O)c2cnco2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000947585217 1208632394 /nfs/dbraw/zinc/63/23/94/1208632394.db2.gz QDHBMJPUQXWITR-BLLLJJGKSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@H]1C[C@H](NC(=O)c2cnco2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000947585217 1208632397 /nfs/dbraw/zinc/63/23/97/1208632397.db2.gz QDHBMJPUQXWITR-BLLLJJGKSA-N 1 2 342.374 2.468 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N(C)[C@H]3CCCN(CC#N)CC3)ccn12 ZINC000948372653 1209096815 /nfs/dbraw/zinc/09/68/15/1209096815.db2.gz GVJFMNIWWHFBSN-INIZCTEOSA-N 1 2 325.416 2.093 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N(C)[C@@H]3CCCN(CC#N)CC3)ccn12 ZINC000948372662 1209097102 /nfs/dbraw/zinc/09/71/02/1209097102.db2.gz GVJFMNIWWHFBSN-MRXNPFEDSA-N 1 2 325.416 2.093 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[C@H](CNc2cc[nH+]c(C)n2)CC1 ZINC001111276981 1209205163 /nfs/dbraw/zinc/20/51/63/1209205163.db2.gz VJJWLEBVTIFBAX-XIRDDKMYSA-N 1 2 344.459 2.158 20 30 EEEDLO Cc1nc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)cs1 ZINC001038634074 1225132641 /nfs/dbraw/zinc/13/26/41/1225132641.db2.gz DBUCJSMHEALNIR-HNNXBMFYSA-N 1 2 326.425 2.328 20 30 EEEDLO Cc1nc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)cs1 ZINC001038634074 1225132645 /nfs/dbraw/zinc/13/26/45/1225132645.db2.gz DBUCJSMHEALNIR-HNNXBMFYSA-N 1 2 326.425 2.328 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1nc(C)c(C)nc1C ZINC000948936197 1209462715 /nfs/dbraw/zinc/46/27/15/1209462715.db2.gz MQDBERZFYZBGGZ-LJQANCHMSA-N 1 2 348.450 2.364 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1nc(C)c(C)nc1C ZINC000948936197 1209462717 /nfs/dbraw/zinc/46/27/17/1209462717.db2.gz MQDBERZFYZBGGZ-LJQANCHMSA-N 1 2 348.450 2.364 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3sccc3Cl)CC2)C1 ZINC000949373166 1209655592 /nfs/dbraw/zinc/65/55/92/1209655592.db2.gz LYUSEFHIJQBVND-UHFFFAOYSA-N 1 2 338.860 2.342 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3sccc3Cl)CC2)C1 ZINC000949373166 1209655594 /nfs/dbraw/zinc/65/55/94/1209655594.db2.gz LYUSEFHIJQBVND-UHFFFAOYSA-N 1 2 338.860 2.342 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cnc4ccccc4c3)CC2)C1 ZINC000949480515 1209708013 /nfs/dbraw/zinc/70/80/13/1209708013.db2.gz RETOEJDAYJAXFC-UHFFFAOYSA-N 1 2 349.434 2.175 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cnc4ccccc4c3)CC2)C1 ZINC000949480515 1209708015 /nfs/dbraw/zinc/70/80/15/1209708015.db2.gz RETOEJDAYJAXFC-UHFFFAOYSA-N 1 2 349.434 2.175 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000950917162 1210503650 /nfs/dbraw/zinc/50/36/50/1210503650.db2.gz QTSDZLJAJJTKQN-CYBMUJFWSA-N 1 2 326.400 2.106 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000952958753 1211635820 /nfs/dbraw/zinc/63/58/20/1211635820.db2.gz PSIUBOXPILKSKH-LJQANCHMSA-N 1 2 344.459 2.006 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000955011704 1212760109 /nfs/dbraw/zinc/76/01/09/1212760109.db2.gz MDGGQJYZNXSUKS-UHFFFAOYSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC(N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000955268328 1212962008 /nfs/dbraw/zinc/96/20/08/1212962008.db2.gz RBKUPNVNGFNABU-AUUYWEPGSA-N 1 2 344.459 2.101 20 30 EEEDLO Cc1ncccc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015633922 1225492392 /nfs/dbraw/zinc/49/23/92/1225492392.db2.gz KMKPOJCXYPYHOC-GOSISDBHSA-N 1 2 337.398 2.385 20 30 EEEDLO Cc1ncccc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015633922 1225492395 /nfs/dbraw/zinc/49/23/95/1225492395.db2.gz KMKPOJCXYPYHOC-GOSISDBHSA-N 1 2 337.398 2.385 20 30 EEEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)NCCCC1CCCCC1 ZINC000092915055 1214692425 /nfs/dbraw/zinc/69/24/25/1214692425.db2.gz KXFSUTRNUUIPPC-UHFFFAOYSA-N 1 2 332.448 2.390 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@H]21 ZINC001114686528 1214934568 /nfs/dbraw/zinc/93/45/68/1214934568.db2.gz NGEOYMUMKCBETN-OIPACUDHSA-N 1 2 343.475 2.058 20 30 EEEDLO C#CCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nnc(CC)[nH]3)C[C@H]21 ZINC001114686528 1214934573 /nfs/dbraw/zinc/93/45/73/1214934573.db2.gz NGEOYMUMKCBETN-OIPACUDHSA-N 1 2 343.475 2.058 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)c4nc(C)no4)C[C@H]32)CC1 ZINC001114792992 1215308810 /nfs/dbraw/zinc/30/88/10/1215308810.db2.gz YHNSKPKYRVONLS-SPWCGHHHSA-N 1 2 330.432 2.232 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)c4nc(C)no4)C[C@H]32)CC1 ZINC001114792992 1215308812 /nfs/dbraw/zinc/30/88/12/1215308812.db2.gz YHNSKPKYRVONLS-SPWCGHHHSA-N 1 2 330.432 2.232 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cn(C(C)C)nn3)C[C@H]21 ZINC001114792773 1215308935 /nfs/dbraw/zinc/30/89/35/1215308935.db2.gz WSQCGVHFBCHKMT-LHHMISFZSA-N 1 2 331.464 2.008 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cn(C(C)C)nn3)C[C@H]21 ZINC001114792773 1215308942 /nfs/dbraw/zinc/30/89/42/1215308942.db2.gz WSQCGVHFBCHKMT-LHHMISFZSA-N 1 2 331.464 2.008 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001114793975 1215323685 /nfs/dbraw/zinc/32/36/85/1215323685.db2.gz YNTJTZMQIKTSGR-BZUAXINKSA-N 1 2 344.459 2.253 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccsc1 ZINC000958141981 1215584350 /nfs/dbraw/zinc/58/43/50/1215584350.db2.gz CACISWFSOUVGLH-IMRBUKKESA-N 1 2 341.274 2.246 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccsc1 ZINC000958141981 1215584352 /nfs/dbraw/zinc/58/43/52/1215584352.db2.gz CACISWFSOUVGLH-IMRBUKKESA-N 1 2 341.274 2.246 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C)o1 ZINC000958161003 1215592322 /nfs/dbraw/zinc/59/23/22/1215592322.db2.gz TUHYNBHKYDIYRZ-PJXYFTJBSA-N 1 2 325.206 2.157 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C)o1 ZINC000958161003 1215592324 /nfs/dbraw/zinc/59/23/24/1215592324.db2.gz TUHYNBHKYDIYRZ-PJXYFTJBSA-N 1 2 325.206 2.157 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CCCC1 ZINC000958559809 1215769744 /nfs/dbraw/zinc/76/97/44/1215769744.db2.gz QEIZIYNTAGRZMY-PIIMJCKOSA-N 1 2 325.387 2.354 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CCCC1 ZINC000958559809 1215769747 /nfs/dbraw/zinc/76/97/47/1215769747.db2.gz QEIZIYNTAGRZMY-PIIMJCKOSA-N 1 2 325.387 2.354 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3ccccc3o2)C1 ZINC000958650244 1215814851 /nfs/dbraw/zinc/81/48/51/1215814851.db2.gz URMXADSNNZMZOH-KGLIPLIRSA-N 1 2 334.803 2.208 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3ccccc3o2)C1 ZINC000958650244 1215814854 /nfs/dbraw/zinc/81/48/54/1215814854.db2.gz URMXADSNNZMZOH-KGLIPLIRSA-N 1 2 334.803 2.208 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001015826759 1225715622 /nfs/dbraw/zinc/71/56/22/1225715622.db2.gz HIMYFSCMYCJXTQ-VYDXJSESSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001015826759 1225715629 /nfs/dbraw/zinc/71/56/29/1225715629.db2.gz HIMYFSCMYCJXTQ-VYDXJSESSA-N 1 2 349.862 2.407 20 30 EEEDLO CCc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c(C)o1 ZINC001015830360 1225718887 /nfs/dbraw/zinc/71/88/87/1225718887.db2.gz RZDSUTHRIMAMND-GFCCVEGCSA-N 1 2 344.440 2.483 20 30 EEEDLO CCc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c(C)o1 ZINC001015830360 1225718888 /nfs/dbraw/zinc/71/88/88/1225718888.db2.gz RZDSUTHRIMAMND-GFCCVEGCSA-N 1 2 344.440 2.483 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC1(C)C ZINC000961529506 1217213919 /nfs/dbraw/zinc/21/39/19/1217213919.db2.gz ORTAQHRVRDNZGB-XQHKEYJVSA-N 1 2 327.266 2.378 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC1(C)C ZINC000961529506 1217213921 /nfs/dbraw/zinc/21/39/21/1217213921.db2.gz ORTAQHRVRDNZGB-XQHKEYJVSA-N 1 2 327.266 2.378 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000965233575 1218977172 /nfs/dbraw/zinc/97/71/72/1218977172.db2.gz LXMORPAAGDQCGA-RDTXWAMCSA-N 1 2 332.448 2.052 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](NC(=O)C(C)C)C2)c1 ZINC000965244667 1218984508 /nfs/dbraw/zinc/98/45/08/1218984508.db2.gz IVVISJLNAOVHFP-CRAIPNDOSA-N 1 2 341.455 2.089 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](NC(=O)C(C)C)C2)c1 ZINC000965244667 1218984510 /nfs/dbraw/zinc/98/45/10/1218984510.db2.gz IVVISJLNAOVHFP-CRAIPNDOSA-N 1 2 341.455 2.089 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1NC(=O)c1cocn1 ZINC000965557186 1219143795 /nfs/dbraw/zinc/14/37/95/1219143795.db2.gz KIRNIFUEGCZCHG-WBMJQRKESA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1NC(=O)c1cocn1 ZINC000965557186 1219143798 /nfs/dbraw/zinc/14/37/98/1219143798.db2.gz KIRNIFUEGCZCHG-WBMJQRKESA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cocn1 ZINC000965560439 1219145379 /nfs/dbraw/zinc/14/53/79/1219145379.db2.gz PNMIQHOLZJNQSZ-SMDDNHRTSA-N 1 2 330.413 2.248 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cocn1 ZINC000965560439 1219145380 /nfs/dbraw/zinc/14/53/80/1219145380.db2.gz PNMIQHOLZJNQSZ-SMDDNHRTSA-N 1 2 330.413 2.248 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2=CCOCC2)C1 ZINC000965934896 1219374059 /nfs/dbraw/zinc/37/40/59/1219374059.db2.gz ASPCHGVIIMJUNC-FZMZJTMJSA-N 1 2 343.265 2.068 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2=CCOCC2)C1 ZINC000965934896 1219374063 /nfs/dbraw/zinc/37/40/63/1219374063.db2.gz ASPCHGVIIMJUNC-FZMZJTMJSA-N 1 2 343.265 2.068 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C)co1 ZINC000965940281 1219380713 /nfs/dbraw/zinc/38/07/13/1219380713.db2.gz DZOYYQBGDOLZIB-MAUKXSAKSA-N 1 2 337.423 2.475 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)CC[C@@H]2C)co1 ZINC000965940281 1219380714 /nfs/dbraw/zinc/38/07/14/1219380714.db2.gz DZOYYQBGDOLZIB-MAUKXSAKSA-N 1 2 337.423 2.475 20 30 EEEDLO C[C@@H]1CC[N@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)c1ncccc1O ZINC000965942288 1219383022 /nfs/dbraw/zinc/38/30/22/1219383022.db2.gz XIBZBMGXWKCPAT-AEFFLSMTSA-N 1 2 349.434 2.279 20 30 EEEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)c1ncccc1O ZINC000965942288 1219383026 /nfs/dbraw/zinc/38/30/26/1219383026.db2.gz XIBZBMGXWKCPAT-AEFFLSMTSA-N 1 2 349.434 2.279 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn(C(C)(C)C)nn2)C1 ZINC000966603903 1219882319 /nfs/dbraw/zinc/88/23/19/1219882319.db2.gz WRYPOSVTBYIBDH-YPMHNXCESA-N 1 2 339.871 2.226 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn(C(C)(C)C)nn2)C1 ZINC000966603903 1219882321 /nfs/dbraw/zinc/88/23/21/1219882321.db2.gz WRYPOSVTBYIBDH-YPMHNXCESA-N 1 2 339.871 2.226 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)cc3F)C2)cn1 ZINC001016028521 1225973708 /nfs/dbraw/zinc/97/37/08/1225973708.db2.gz ZNRNVIXBKWWMFM-KRWDZBQOSA-N 1 2 341.361 2.345 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)cc3F)C2)cn1 ZINC001016028521 1225973711 /nfs/dbraw/zinc/97/37/11/1225973711.db2.gz ZNRNVIXBKWWMFM-KRWDZBQOSA-N 1 2 341.361 2.345 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3ncn(C)c3n2)C1 ZINC000968327884 1221212562 /nfs/dbraw/zinc/21/25/62/1221212562.db2.gz UFWSMOMERAEOPZ-IAQYHMDHSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3ncn(C)c3n2)C1 ZINC000968327884 1221212565 /nfs/dbraw/zinc/21/25/65/1221212565.db2.gz UFWSMOMERAEOPZ-IAQYHMDHSA-N 1 2 347.850 2.161 20 30 EEEDLO C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2sc(CC3CC3)nc2C)C1 ZINC000968475705 1221334977 /nfs/dbraw/zinc/33/49/77/1221334977.db2.gz IFISIPZVRKIASZ-WFASDCNBSA-N 1 2 331.485 2.477 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2sc(CC3CC3)nc2C)C1 ZINC000968475705 1221334980 /nfs/dbraw/zinc/33/49/80/1221334980.db2.gz IFISIPZVRKIASZ-WFASDCNBSA-N 1 2 331.485 2.477 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1C ZINC000968486907 1221343636 /nfs/dbraw/zinc/34/36/36/1221343636.db2.gz BIUJQHJKVFIYRS-SUMWQHHRSA-N 1 2 338.411 2.495 20 30 EEEDLO Cc1cnoc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1C ZINC000968486907 1221343641 /nfs/dbraw/zinc/34/36/41/1221343641.db2.gz BIUJQHJKVFIYRS-SUMWQHHRSA-N 1 2 338.411 2.495 20 30 EEEDLO N#Cc1ccccc1OCC[N@@H+](CCO)Cc1cccnc1Cl ZINC000796563864 1221369637 /nfs/dbraw/zinc/36/96/37/1221369637.db2.gz OKDJWFOKXDKMKK-UHFFFAOYSA-N 1 2 331.803 2.480 20 30 EEEDLO N#Cc1ccccc1OCC[N@H+](CCO)Cc1cccnc1Cl ZINC000796563864 1221369639 /nfs/dbraw/zinc/36/96/39/1221369639.db2.gz OKDJWFOKXDKMKK-UHFFFAOYSA-N 1 2 331.803 2.480 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2c(C)noc2C)C1 ZINC000968640495 1221455428 /nfs/dbraw/zinc/45/54/28/1221455428.db2.gz NELVONQEQGFDSX-MEBBXXQBSA-N 1 2 325.840 2.413 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2c(C)noc2C)C1 ZINC000968640495 1221455429 /nfs/dbraw/zinc/45/54/29/1221455429.db2.gz NELVONQEQGFDSX-MEBBXXQBSA-N 1 2 325.840 2.413 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC000968771101 1221555435 /nfs/dbraw/zinc/55/54/35/1221555435.db2.gz XBDPXWGUHMJVGT-UONOGXRCSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC000968771101 1221555440 /nfs/dbraw/zinc/55/54/40/1221555440.db2.gz XBDPXWGUHMJVGT-UONOGXRCSA-N 1 2 345.281 2.292 20 30 EEEDLO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1)n1cccn1 ZINC001006787254 1221943172 /nfs/dbraw/zinc/94/31/72/1221943172.db2.gz HJUBEBZBMRTGMX-YJBOKZPZSA-N 1 2 337.427 2.097 20 30 EEEDLO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)n1cccn1 ZINC001006787254 1221943173 /nfs/dbraw/zinc/94/31/73/1221943173.db2.gz HJUBEBZBMRTGMX-YJBOKZPZSA-N 1 2 337.427 2.097 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)cnn1 ZINC001007210646 1222130637 /nfs/dbraw/zinc/13/06/37/1222130637.db2.gz RODIVQBRMRVINE-IBGZPJMESA-N 1 2 334.423 2.031 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)cnn1 ZINC001007210646 1222130638 /nfs/dbraw/zinc/13/06/38/1222130638.db2.gz RODIVQBRMRVINE-IBGZPJMESA-N 1 2 334.423 2.031 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)c1cn2c(n1)CCC2 ZINC001007363792 1222191269 /nfs/dbraw/zinc/19/12/69/1222191269.db2.gz OZFLDOBTWCGWTE-GOSISDBHSA-N 1 2 348.450 2.075 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)c1cn2c(n1)CCC2 ZINC001007363792 1222191272 /nfs/dbraw/zinc/19/12/72/1222191272.db2.gz OZFLDOBTWCGWTE-GOSISDBHSA-N 1 2 348.450 2.075 20 30 EEEDLO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1)c1cncnc1 ZINC001008296000 1222743007 /nfs/dbraw/zinc/74/30/07/1222743007.db2.gz VSSWOPNFIPTUPE-KXBFYZLASA-N 1 2 349.438 2.233 20 30 EEEDLO C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1)c1cncnc1 ZINC001008296000 1222743009 /nfs/dbraw/zinc/74/30/09/1222743009.db2.gz VSSWOPNFIPTUPE-KXBFYZLASA-N 1 2 349.438 2.233 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)c3cnc(C)cn3)C2)c1 ZINC001008470677 1222865358 /nfs/dbraw/zinc/86/53/58/1222865358.db2.gz VEAQRKMXTSDJQR-YJBOKZPZSA-N 1 2 349.438 2.117 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)c3cnc(C)cn3)C2)c1 ZINC001008470677 1222865361 /nfs/dbraw/zinc/86/53/61/1222865361.db2.gz VEAQRKMXTSDJQR-YJBOKZPZSA-N 1 2 349.438 2.117 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)C1 ZINC001008791982 1223040268 /nfs/dbraw/zinc/04/02/68/1223040268.db2.gz CSHBNIOHADFZHE-KBPBESRZSA-N 1 2 333.457 2.212 20 30 EEEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)C1 ZINC001008791982 1223040272 /nfs/dbraw/zinc/04/02/72/1223040272.db2.gz CSHBNIOHADFZHE-KBPBESRZSA-N 1 2 333.457 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2ncc3ccccc32)C1 ZINC001008889510 1223069215 /nfs/dbraw/zinc/06/92/15/1223069215.db2.gz XPOYYMVZLKKFTI-HNNXBMFYSA-N 1 2 332.835 2.369 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2ncc3ccccc32)C1 ZINC001008889510 1223069216 /nfs/dbraw/zinc/06/92/16/1223069216.db2.gz XPOYYMVZLKKFTI-HNNXBMFYSA-N 1 2 332.835 2.369 20 30 EEEDLO Cc1cccc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001010222847 1223613243 /nfs/dbraw/zinc/61/32/43/1223613243.db2.gz BGCWOOLMYVBJHP-GOSISDBHSA-N 1 2 337.398 2.385 20 30 EEEDLO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001010222847 1223613244 /nfs/dbraw/zinc/61/32/44/1223613244.db2.gz BGCWOOLMYVBJHP-GOSISDBHSA-N 1 2 337.398 2.385 20 30 EEEDLO O=C(Cc1ccon1)N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001010403834 1223704700 /nfs/dbraw/zinc/70/47/00/1223704700.db2.gz WDMXSOJHJCIMIZ-QGZVFWFLSA-N 1 2 343.814 2.113 20 30 EEEDLO O=C(Cc1ccon1)N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001010403834 1223704701 /nfs/dbraw/zinc/70/47/01/1223704701.db2.gz WDMXSOJHJCIMIZ-QGZVFWFLSA-N 1 2 343.814 2.113 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3CCCCO3)C2)c(F)c1 ZINC001010524607 1223764443 /nfs/dbraw/zinc/76/44/43/1223764443.db2.gz BGWAYAKEGNIVAR-IAGOWNOFSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C[C@H]3CCCCO3)C2)c(F)c1 ZINC001010524607 1223764449 /nfs/dbraw/zinc/76/44/49/1223764449.db2.gz BGWAYAKEGNIVAR-IAGOWNOFSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)c[nH]1 ZINC001010666956 1223842776 /nfs/dbraw/zinc/84/27/76/1223842776.db2.gz GELQINRJUBCTAF-ZDUSSCGKSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)c[nH]1 ZINC001010666956 1223842779 /nfs/dbraw/zinc/84/27/79/1223842779.db2.gz GELQINRJUBCTAF-ZDUSSCGKSA-N 1 2 330.338 2.169 20 30 EEEDLO Cc1nscc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010684693 1223850582 /nfs/dbraw/zinc/85/05/82/1223850582.db2.gz UKPSIQGTPAIZRR-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1nscc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010684693 1223850585 /nfs/dbraw/zinc/85/05/85/1223850585.db2.gz UKPSIQGTPAIZRR-CQSZACIVSA-N 1 2 344.415 2.467 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010688226 1223851410 /nfs/dbraw/zinc/85/14/10/1223851410.db2.gz IIZCOWGDKSJXAD-CYBMUJFWSA-N 1 2 327.388 2.002 20 30 EEEDLO CC(C)c1ocnc1C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010688226 1223851411 /nfs/dbraw/zinc/85/14/11/1223851411.db2.gz IIZCOWGDKSJXAD-CYBMUJFWSA-N 1 2 327.388 2.002 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@]2(NC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001014516212 1226707843 /nfs/dbraw/zinc/70/78/43/1226707843.db2.gz VONHOZUQQRDQPX-DNVCBOLYSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H](C)[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001067183548 1227343032 /nfs/dbraw/zinc/34/30/32/1227343032.db2.gz RPDKNDOVIRIYDZ-GXTWGEPZSA-N 1 2 346.479 2.107 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(C)nc2ccccc21 ZINC001017547513 1227509885 /nfs/dbraw/zinc/50/98/85/1227509885.db2.gz FQFKSQDEFXFCTI-CALCHBBNSA-N 1 2 336.439 2.043 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(C)nc2ccccc21 ZINC001017547513 1227509889 /nfs/dbraw/zinc/50/98/89/1227509889.db2.gz FQFKSQDEFXFCTI-CALCHBBNSA-N 1 2 336.439 2.043 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001017573894 1227536572 /nfs/dbraw/zinc/53/65/72/1227536572.db2.gz WUXUPVPJERMBAD-HRCADAONSA-N 1 2 326.444 2.093 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001017573894 1227536573 /nfs/dbraw/zinc/53/65/73/1227536573.db2.gz WUXUPVPJERMBAD-HRCADAONSA-N 1 2 326.444 2.093 20 30 EEEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn2cc(C)nc2s1 ZINC001017618737 1227576949 /nfs/dbraw/zinc/57/69/49/1227576949.db2.gz VPVZGTVOTGGHDR-OKILXGFUSA-N 1 2 328.441 2.016 20 30 EEEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn2cc(C)nc2s1 ZINC001017618737 1227576956 /nfs/dbraw/zinc/57/69/56/1227576956.db2.gz VPVZGTVOTGGHDR-OKILXGFUSA-N 1 2 328.441 2.016 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nc(CC)no3)C2)cc1 ZINC001019224930 1228893325 /nfs/dbraw/zinc/89/33/25/1228893325.db2.gz KJPKNNOVXYUKLT-BBRMVZONSA-N 1 2 338.411 2.179 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1C[C@H]1c1ccncc1 ZINC001038273874 1229718178 /nfs/dbraw/zinc/71/81/78/1229718178.db2.gz QMHDVDFUESNTMT-PCCBWWKXSA-N 1 2 345.446 2.427 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1C[C@H]1c1ccncc1 ZINC001038273874 1229718181 /nfs/dbraw/zinc/71/81/81/1229718181.db2.gz QMHDVDFUESNTMT-PCCBWWKXSA-N 1 2 345.446 2.427 20 30 EEEDLO CCCn1nccc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038295591 1229729045 /nfs/dbraw/zinc/72/90/45/1229729045.db2.gz HBNDKMDUYQNZGD-KRWDZBQOSA-N 1 2 337.427 2.169 20 30 EEEDLO CCCn1nccc1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038295591 1229729046 /nfs/dbraw/zinc/72/90/46/1229729046.db2.gz HBNDKMDUYQNZGD-KRWDZBQOSA-N 1 2 337.427 2.169 20 30 EEEDLO CC(C)c1n[nH]cc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038450252 1229832938 /nfs/dbraw/zinc/83/29/38/1229832938.db2.gz UQKJRXLARLMANH-INIZCTEOSA-N 1 2 337.427 2.409 20 30 EEEDLO CC(C)c1n[nH]cc1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038450252 1229832941 /nfs/dbraw/zinc/83/29/41/1229832941.db2.gz UQKJRXLARLMANH-INIZCTEOSA-N 1 2 337.427 2.409 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2Cc3ccccc3O2)c1 ZINC001038477629 1229857668 /nfs/dbraw/zinc/85/76/68/1229857668.db2.gz WWSNXPGTRKLDNB-AZUAARDMSA-N 1 2 347.418 2.252 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2Cc3ccccc3O2)c1 ZINC001038477629 1229857674 /nfs/dbraw/zinc/85/76/74/1229857674.db2.gz WWSNXPGTRKLDNB-AZUAARDMSA-N 1 2 347.418 2.252 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001038762685 1230032650 /nfs/dbraw/zinc/03/26/50/1230032650.db2.gz LYMRDXFDYRFNTH-IRXDYDNUSA-N 1 2 339.439 2.448 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001038762685 1230032653 /nfs/dbraw/zinc/03/26/53/1230032653.db2.gz LYMRDXFDYRFNTH-IRXDYDNUSA-N 1 2 339.439 2.448 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2C2CC2)cc1F ZINC001038798253 1230064640 /nfs/dbraw/zinc/06/46/40/1230064640.db2.gz BTCLGAUALSGSGM-IXDOHACOSA-N 1 2 327.403 2.434 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2C2CC2)cc1F ZINC001038798253 1230064643 /nfs/dbraw/zinc/06/46/43/1230064643.db2.gz BTCLGAUALSGSGM-IXDOHACOSA-N 1 2 327.403 2.434 20 30 EEEDLO N#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039217138 1230445708 /nfs/dbraw/zinc/44/57/08/1230445708.db2.gz STUUZYFIEBCMEA-CVEARBPZSA-N 1 2 337.427 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H](C)[C@H](CNc3cc[nH+]c(C)n3)C2)cn1 ZINC001039875707 1230877660 /nfs/dbraw/zinc/87/76/60/1230877660.db2.gz SGJUJWDGXQPISJ-WMLDXEAASA-N 1 2 349.438 2.372 20 30 EEEDLO CC(C)c1nnc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)o1 ZINC001040120055 1231035439 /nfs/dbraw/zinc/03/54/39/1231035439.db2.gz LQYWWDVQPFVOIH-KBXCAEBGSA-N 1 2 345.447 2.167 20 30 EEEDLO CC(C)c1nnc(C[N@H+]2CCC[C@@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)o1 ZINC001040120055 1231035442 /nfs/dbraw/zinc/03/54/42/1231035442.db2.gz LQYWWDVQPFVOIH-KBXCAEBGSA-N 1 2 345.447 2.167 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@]2(CC[N@H+](Cc3cnon3)C2)C1 ZINC001041323295 1231506467 /nfs/dbraw/zinc/50/64/67/1231506467.db2.gz LCOKEXJURYCPCI-INIZCTEOSA-N 1 2 338.839 2.273 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@]2(CC[N@@H+](Cc3cnon3)C2)C1 ZINC001041323295 1231506469 /nfs/dbraw/zinc/50/64/69/1231506469.db2.gz LCOKEXJURYCPCI-INIZCTEOSA-N 1 2 338.839 2.273 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCCO[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001041525594 1231581364 /nfs/dbraw/zinc/58/13/64/1231581364.db2.gz NXMDDBYJKOLNPY-MAUKXSAKSA-N 1 2 332.448 2.417 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](Cc3nc(C)no3)C2)C1 ZINC001041535698 1231585816 /nfs/dbraw/zinc/58/58/16/1231585816.db2.gz JSGDOQLOAOYUAU-GOSISDBHSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3nc(C)no3)C2)C1 ZINC001041535698 1231585818 /nfs/dbraw/zinc/58/58/18/1231585818.db2.gz JSGDOQLOAOYUAU-GOSISDBHSA-N 1 2 332.448 2.405 20 30 EEEDLO Cc1nc(N[C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C23CCC3)cc[nH+]1 ZINC001041589016 1231611883 /nfs/dbraw/zinc/61/18/83/1231611883.db2.gz ZABWOZLVWHOZLH-LSDHHAIUSA-N 1 2 336.399 2.138 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC001041934642 1231775262 /nfs/dbraw/zinc/77/52/62/1231775262.db2.gz GMPVIBMNWJPAIX-JSGCOSHPSA-N 1 2 338.249 2.460 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC001041934642 1231775263 /nfs/dbraw/zinc/77/52/63/1231775263.db2.gz GMPVIBMNWJPAIX-JSGCOSHPSA-N 1 2 338.249 2.460 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3nnc(C)s3)[C@H]2C1 ZINC001042184459 1231942878 /nfs/dbraw/zinc/94/28/78/1231942878.db2.gz WRIHCNKUVSBLHR-KBPBESRZSA-N 1 2 334.489 2.482 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3nnc(C)s3)[C@H]2C1 ZINC001042184459 1231942882 /nfs/dbraw/zinc/94/28/82/1231942882.db2.gz WRIHCNKUVSBLHR-KBPBESRZSA-N 1 2 334.489 2.482 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3nnc(C)[nH]3)[C@@H]2C1 ZINC001042185580 1231943943 /nfs/dbraw/zinc/94/39/43/1231943943.db2.gz VFOXFYZDQYPIPF-LSDHHAIUSA-N 1 2 331.464 2.138 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3nnc(C)[nH]3)[C@@H]2C1 ZINC001042185580 1231943946 /nfs/dbraw/zinc/94/39/46/1231943946.db2.gz VFOXFYZDQYPIPF-LSDHHAIUSA-N 1 2 331.464 2.138 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cnn(CC)n4)[C@H]3C2)C1 ZINC001042225110 1231967604 /nfs/dbraw/zinc/96/76/04/1231967604.db2.gz VWMNPZLOHBYLHM-WBVHZDCISA-N 1 2 343.475 2.077 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4cnn(CC)n4)[C@H]3C2)C1 ZINC001042225110 1231967606 /nfs/dbraw/zinc/96/76/06/1231967606.db2.gz VWMNPZLOHBYLHM-WBVHZDCISA-N 1 2 343.475 2.077 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(COC)on3)C[C@H]21 ZINC001042260453 1231988463 /nfs/dbraw/zinc/98/84/63/1231988463.db2.gz LCBROJFKJRCPFP-SWLSCSKDSA-N 1 2 339.823 2.110 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(COC)on3)C[C@H]21 ZINC001042260453 1231988465 /nfs/dbraw/zinc/98/84/65/1231988465.db2.gz LCBROJFKJRCPFP-SWLSCSKDSA-N 1 2 339.823 2.110 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(-c4ccoc4)[nH]n3)C[C@@H]21 ZINC001042354682 1232042446 /nfs/dbraw/zinc/04/24/46/1232042446.db2.gz CCAXKUQUASJZOM-KDOFPFPSSA-N 1 2 338.411 2.229 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(-c4ccoc4)[nH]n3)C[C@@H]21 ZINC001042354682 1232042447 /nfs/dbraw/zinc/04/24/47/1232042447.db2.gz CCAXKUQUASJZOM-KDOFPFPSSA-N 1 2 338.411 2.229 20 30 EEEDLO CN(C(=O)C1CCCC1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001042402079 1232063184 /nfs/dbraw/zinc/06/31/84/1232063184.db2.gz VSDJQZOPFKTHDR-UHFFFAOYSA-N 1 2 327.428 2.422 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C[C@@H]1C ZINC001067407208 1232151477 /nfs/dbraw/zinc/15/14/77/1232151477.db2.gz CQUUAGFCOGFIHN-KXBFYZLASA-N 1 2 348.450 2.340 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](C[C@@H](O)Cc3ccc(F)cc3)C2)C1 ZINC001043816061 1232589929 /nfs/dbraw/zinc/58/99/29/1232589929.db2.gz XAUZXYDJAXNISQ-SFHVURJKSA-N 1 2 346.446 2.228 20 30 EEEDLO CC(C)c1ccccc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046034697 1234351243 /nfs/dbraw/zinc/35/12/43/1234351243.db2.gz XTTWYKOSDWOMLV-QGZVFWFLSA-N 1 2 340.471 2.166 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)c(C)s1 ZINC001046247584 1234592334 /nfs/dbraw/zinc/59/23/34/1234592334.db2.gz GYOXFJNZECVWBQ-QGZVFWFLSA-N 1 2 343.456 2.354 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)c(C)s1 ZINC001046247584 1234592335 /nfs/dbraw/zinc/59/23/35/1234592335.db2.gz GYOXFJNZECVWBQ-QGZVFWFLSA-N 1 2 343.456 2.354 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2cscn2)C1 ZINC001046328159 1234671633 /nfs/dbraw/zinc/67/16/33/1234671633.db2.gz WHKJOEWJIZDNPW-VYDXJSESSA-N 1 2 335.473 2.205 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cscn2)C1 ZINC001046328159 1234671637 /nfs/dbraw/zinc/67/16/37/1234671637.db2.gz WHKJOEWJIZDNPW-VYDXJSESSA-N 1 2 335.473 2.205 20 30 EEEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@H](c3ccnn3C)C2)c1=S ZINC000800860966 1234691020 /nfs/dbraw/zinc/69/10/20/1234691020.db2.gz ZJWTYCPHXFSZOA-AWEZNQCLSA-N 1 2 332.477 2.479 20 30 EEEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1=S ZINC000800860966 1234691023 /nfs/dbraw/zinc/69/10/23/1234691023.db2.gz ZJWTYCPHXFSZOA-AWEZNQCLSA-N 1 2 332.477 2.479 20 30 EEEDLO C[C@@]1(NC(=O)c2ccns2)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046356787 1234702484 /nfs/dbraw/zinc/70/24/84/1234702484.db2.gz ZQKZUZHEJTUYKU-GOSISDBHSA-N 1 2 325.437 2.389 20 30 EEEDLO C[C@@]1(NC(=O)c2ccns2)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046356787 1234702486 /nfs/dbraw/zinc/70/24/86/1234702486.db2.gz ZQKZUZHEJTUYKU-GOSISDBHSA-N 1 2 325.437 2.389 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@@H+]([C@@H](C)c2nnc(C)o2)C1 ZINC001046373922 1234722581 /nfs/dbraw/zinc/72/25/81/1234722581.db2.gz IJRJUMORBVYNRC-SCLBCKFNSA-N 1 2 343.431 2.321 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@H+]([C@@H](C)c2nnc(C)o2)C1 ZINC001046373922 1234722587 /nfs/dbraw/zinc/72/25/87/1234722587.db2.gz IJRJUMORBVYNRC-SCLBCKFNSA-N 1 2 343.431 2.321 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001096102815 1234866310 /nfs/dbraw/zinc/86/63/10/1234866310.db2.gz ADRBGZBITJRVJN-LJQANCHMSA-N 1 2 346.475 2.156 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](Cc3snnc3C)C2)cc1 ZINC001046533641 1234915250 /nfs/dbraw/zinc/91/52/50/1234915250.db2.gz TVMGSDJLFHAXOY-GOSISDBHSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](Cc3snnc3C)C2)cc1 ZINC001046533641 1234915252 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30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1coc(C3CCC3)n1)O2 ZINC001053686813 1246647701 /nfs/dbraw/zinc/64/77/01/1246647701.db2.gz ADHHHBFVKPDDMY-OAHLLOKOSA-N 1 2 345.443 2.481 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1scc(C)c1Cl)CO2 ZINC001053817410 1246832360 /nfs/dbraw/zinc/83/23/60/1246832360.db2.gz LQVUZNAIBJVHHP-GFCCVEGCSA-N 1 2 338.860 2.306 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc(CCC)c1)CO2 ZINC001053834145 1246872051 /nfs/dbraw/zinc/87/20/51/1246872051.db2.gz DCFDDXILCXXOTJ-KRWDZBQOSA-N 1 2 329.444 2.183 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccsc1)CO2 ZINC001053847234 1246902638 /nfs/dbraw/zinc/90/26/38/1246902638.db2.gz BDRASAFQSDMYNO-OWCLPIDISA-N 1 2 332.469 2.387 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1c(F)cc(C)cc1F)CO2 ZINC001053865817 1246934809 /nfs/dbraw/zinc/93/48/09/1246934809.db2.gz JYSVRWVAISLGOF-ZDUSSCGKSA-N 1 2 336.382 2.422 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CCCC1(F)F)CO2 ZINC001053905955 1246994752 /nfs/dbraw/zinc/99/47/52/1246994752.db2.gz QQFLQTXKPAXWHQ-UONOGXRCSA-N 1 2 328.403 2.348 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C)cc1Cl)CO2 ZINC001053932208 1247027744 /nfs/dbraw/zinc/02/77/44/1247027744.db2.gz OTINOWWZCMWWDN-AWEZNQCLSA-N 1 2 332.831 2.245 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1CCC(F)(F)CC1)CO2 ZINC001053938406 1247037087 /nfs/dbraw/zinc/03/70/87/1247037087.db2.gz SRWAIOPEUXSCNS-AWEZNQCLSA-N 1 2 328.403 2.348 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)c1ccc(C)cc1)CO2 ZINC001053985893 1247109216 /nfs/dbraw/zinc/10/92/16/1247109216.db2.gz CLDIIKBIEXLXKX-FUHWJXTLSA-N 1 2 326.440 2.081 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(C(F)F)c1)CO2 ZINC001053987775 1247112193 /nfs/dbraw/zinc/11/21/93/1247112193.db2.gz SPJJBOTZXVCIMU-OAHLLOKOSA-N 1 2 334.366 2.221 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3c(s1)CCCC3)CO2 ZINC001054001448 1247133852 /nfs/dbraw/zinc/13/38/52/1247133852.db2.gz YZLFQTHWOLBYGO-OAHLLOKOSA-N 1 2 344.480 2.223 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)c1ccccc1C)CO2 ZINC001054013227 1247147305 /nfs/dbraw/zinc/14/73/05/1247147305.db2.gz QTTHPDPOCVJVKV-SJORKVTESA-N 1 2 326.440 2.081 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccnc1OC(C)C)CO2 ZINC001054027302 1247168747 /nfs/dbraw/zinc/16/87/47/1247168747.db2.gz NQMSOHMUWMLBEU-HNNXBMFYSA-N 1 2 345.443 2.018 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1oc(C)nc1C ZINC001054036027 1247189788 /nfs/dbraw/zinc/18/97/88/1247189788.db2.gz ADKYPASQAXNZBA-SFHVURJKSA-N 1 2 337.423 2.471 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1oc(C)nc1C ZINC001054036027 1247189790 /nfs/dbraw/zinc/18/97/90/1247189790.db2.gz ADKYPASQAXNZBA-SFHVURJKSA-N 1 2 337.423 2.471 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCc4cncn4C3)cc2C1 ZINC001054270850 1247959325 /nfs/dbraw/zinc/95/93/25/1247959325.db2.gz CFTLYNHVZZFRJX-SFHVURJKSA-N 1 2 348.450 2.101 20 30 EEEDLO CC#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCc4cncn4C3)cc2C1 ZINC001054270850 1247959339 /nfs/dbraw/zinc/95/93/39/1247959339.db2.gz CFTLYNHVZZFRJX-SFHVURJKSA-N 1 2 348.450 2.101 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cn4ccccc4n3)cc2C1 ZINC001054291379 1248026019 /nfs/dbraw/zinc/02/60/19/1248026019.db2.gz LGGPWEKOCVSEHD-UHFFFAOYSA-N 1 2 330.391 2.213 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cn4ccccc4n3)cc2C1 ZINC001054291379 1248026024 /nfs/dbraw/zinc/02/60/24/1248026024.db2.gz LGGPWEKOCVSEHD-UHFFFAOYSA-N 1 2 330.391 2.213 20 30 EEEDLO C=CCn1cccc1C(=O)NC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001057968142 1248180440 /nfs/dbraw/zinc/18/04/40/1248180440.db2.gz FBZBDUHHLASWQU-UHFFFAOYSA-N 1 2 325.416 2.171 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@@H](CNc3cc[nH+]c(C)n3)C[C@@H]2C)c1 ZINC001068373253 1250916398 /nfs/dbraw/zinc/91/63/98/1250916398.db2.gz LNWCJOFAKCICNT-XJKSGUPXSA-N 1 2 335.411 2.124 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)NC[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC001098082066 1251733895 /nfs/dbraw/zinc/73/38/95/1251733895.db2.gz ZBVIYPPPPCSJHC-VIFPVBQESA-N 1 2 336.827 2.059 20 30 EEEDLO Cc1nsc(N[C@@H]2C[C@@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)c1C#N ZINC001069078153 1252194617 /nfs/dbraw/zinc/19/46/17/1252194617.db2.gz DNPYHUOORWCMIX-ZYHUDNBSSA-N 1 2 344.444 2.080 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C)on1)C[C@@H](C)O2 ZINC001071128027 1253982785 /nfs/dbraw/zinc/98/27/85/1253982785.db2.gz XLTMQZSEHYPFQB-CZUORRHYSA-N 1 2 339.823 2.041 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C)on1)C[C@@H](C)O2 ZINC001071128027 1253982797 /nfs/dbraw/zinc/98/27/97/1253982797.db2.gz XLTMQZSEHYPFQB-CZUORRHYSA-N 1 2 339.823 2.041 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C1(CF)CC1)C[C@H](C)O2 ZINC001071214389 1254063166 /nfs/dbraw/zinc/06/31/66/1254063166.db2.gz ULUAFQCTRQOSOR-BBRMVZONSA-N 1 2 330.831 2.180 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C1(CF)CC1)C[C@H](C)O2 ZINC001071214389 1254063178 /nfs/dbraw/zinc/06/31/78/1254063178.db2.gz ULUAFQCTRQOSOR-BBRMVZONSA-N 1 2 330.831 2.180 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nncn1C)C2 ZINC001072944920 1255509505 /nfs/dbraw/zinc/50/95/05/1255509505.db2.gz OKDHPYPDMQQMIN-WMLDXEAASA-N 1 2 331.464 2.013 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nncn1C)C2 ZINC001072944920 1255509510 /nfs/dbraw/zinc/50/95/10/1255509510.db2.gz OKDHPYPDMQQMIN-WMLDXEAASA-N 1 2 331.464 2.013 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1ccon1)C2 ZINC001073046173 1255603348 /nfs/dbraw/zinc/60/33/48/1255603348.db2.gz RBVGWVJCLXJFTO-IRXDYDNUSA-N 1 2 345.443 2.080 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1ccon1)C2 ZINC001073046173 1255603357 /nfs/dbraw/zinc/60/33/57/1255603357.db2.gz RBVGWVJCLXJFTO-IRXDYDNUSA-N 1 2 345.443 2.080 20 30 EEEDLO C=CCCCC(=O)NC1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001073169742 1255742769 /nfs/dbraw/zinc/74/27/69/1255742769.db2.gz FRJDPZJIIGZNGA-UHFFFAOYSA-N 1 2 332.448 2.127 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cccc(C)c3)C[C@H]21 ZINC001074325242 1256912366 /nfs/dbraw/zinc/91/23/66/1256912366.db2.gz XRIOWWFCSGLGDY-MOPGFXCFSA-N 1 2 328.456 2.415 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cccc(C)c3)C[C@H]21 ZINC001074325242 1256912373 /nfs/dbraw/zinc/91/23/73/1256912373.db2.gz XRIOWWFCSGLGDY-MOPGFXCFSA-N 1 2 328.456 2.415 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc4ccccn4c3)C[C@@H]21 ZINC001074351032 1256930923 /nfs/dbraw/zinc/93/09/23/1256930923.db2.gz HJMSTTOGOUFBTF-RBUKOAKNSA-N 1 2 339.439 2.431 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc4ccccn4c3)C[C@@H]21 ZINC001074351032 1256930929 /nfs/dbraw/zinc/93/09/29/1256930929.db2.gz HJMSTTOGOUFBTF-RBUKOAKNSA-N 1 2 339.439 2.431 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C)n(C)c3C)C[C@@H]21 ZINC001074403486 1256989959 /nfs/dbraw/zinc/98/99/59/1256989959.db2.gz WUAIKYRBIFMOAI-ZWKOTPCHSA-N 1 2 331.460 2.133 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C)n(C)c3C)C[C@@H]21 ZINC001074403486 1256989968 /nfs/dbraw/zinc/98/99/68/1256989968.db2.gz WUAIKYRBIFMOAI-ZWKOTPCHSA-N 1 2 331.460 2.133 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001074887598 1257194685 /nfs/dbraw/zinc/19/46/85/1257194685.db2.gz XCHMBEXRKRPJPO-ZBFHGGJFSA-N 1 2 345.443 2.095 20 30 EEEDLO C=CCCC(=O)N1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001075062782 1257313000 /nfs/dbraw/zinc/31/30/00/1257313000.db2.gz NRAFXFWLWRFSGG-GJZGRUSLSA-N 1 2 340.427 2.410 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cocn2)C1 ZINC001098753155 1257794049 /nfs/dbraw/zinc/79/40/49/1257794049.db2.gz BMSFOORZCXVQJQ-FZMZJTMJSA-N 1 2 340.221 2.168 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cocn2)C1 ZINC001098753155 1257794054 /nfs/dbraw/zinc/79/40/54/1257794054.db2.gz BMSFOORZCXVQJQ-FZMZJTMJSA-N 1 2 340.221 2.168 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(OC)no2)C1 ZINC001098801081 1257828082 /nfs/dbraw/zinc/82/80/82/1257828082.db2.gz GLFWPXMAVQRFEC-NHYWBVRUSA-N 1 2 325.796 2.020 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(OC)no2)C1 ZINC001098801081 1257828092 /nfs/dbraw/zinc/82/80/92/1257828092.db2.gz GLFWPXMAVQRFEC-NHYWBVRUSA-N 1 2 325.796 2.020 20 30 EEEDLO C#CCOCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cc(C)on1 ZINC001099074942 1257958274 /nfs/dbraw/zinc/95/82/74/1257958274.db2.gz SSWFNSYBTBNDMH-KRWDZBQOSA-N 1 2 347.459 2.130 20 30 EEEDLO C#CCOCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cc(C)on1 ZINC001099074942 1257958276 /nfs/dbraw/zinc/95/82/76/1257958276.db2.gz SSWFNSYBTBNDMH-KRWDZBQOSA-N 1 2 347.459 2.130 20 30 EEEDLO COCC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1nccs1 ZINC001099276571 1258055553 /nfs/dbraw/zinc/05/55/53/1258055553.db2.gz UHMCVMNNACMICJ-CQSZACIVSA-N 1 2 335.473 2.013 20 30 EEEDLO COCC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1nccs1 ZINC001099276571 1258055561 /nfs/dbraw/zinc/05/55/61/1258055561.db2.gz UHMCVMNNACMICJ-CQSZACIVSA-N 1 2 335.473 2.013 20 30 EEEDLO Cc1nsc(N[C@H](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1C#N ZINC001099765093 1258337474 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PERDAHTVGFXGMM-CYBMUJFWSA-N 1 2 349.822 2.022 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2snnc2C)cc1 ZINC001028067525 776954718 /nfs/dbraw/zinc/95/47/18/776954718.db2.gz WGICJDNJONSYLM-INIZCTEOSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2snnc2C)cc1 ZINC001028067525 776954723 /nfs/dbraw/zinc/95/47/23/776954723.db2.gz WGICJDNJONSYLM-INIZCTEOSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)c2nc(C)no2)cc1 ZINC001028066693 776962640 /nfs/dbraw/zinc/96/26/40/776962640.db2.gz GPHLMAFXFWNFDL-SUMWQHHRSA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)c2nc(C)no2)cc1 ZINC001028066693 776962647 /nfs/dbraw/zinc/96/26/47/776962647.db2.gz GPHLMAFXFWNFDL-SUMWQHHRSA-N 1 2 338.411 2.315 20 30 EEEDLO CC#CC[N@@H+]1CCCN(C(=O)c2ccc(-c3cc[nH]n3)s2)CC1 ZINC000981400932 777320580 /nfs/dbraw/zinc/32/05/80/777320580.db2.gz GHJMNRQRTBVEDH-UHFFFAOYSA-N 1 2 328.441 2.309 20 30 EEEDLO CC#CC[N@H+]1CCCN(C(=O)c2ccc(-c3cc[nH]n3)s2)CC1 ZINC000981400932 777320586 /nfs/dbraw/zinc/32/05/86/777320586.db2.gz GHJMNRQRTBVEDH-UHFFFAOYSA-N 1 2 328.441 2.309 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccsn2)CC1 ZINC000981423810 777344395 /nfs/dbraw/zinc/34/43/95/777344395.db2.gz WNGLNGHIWNLGLN-UHFFFAOYSA-N 1 2 326.425 2.363 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccsn2)CC1 ZINC000981423810 777344401 /nfs/dbraw/zinc/34/44/01/777344401.db2.gz WNGLNGHIWNLGLN-UHFFFAOYSA-N 1 2 326.425 2.363 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C)CC1 ZINC000939917487 777661278 /nfs/dbraw/zinc/66/12/78/777661278.db2.gz CXDARDLLBXPNNU-RHSMWYFYSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C)CC1 ZINC000939917487 777661282 /nfs/dbraw/zinc/66/12/82/777661282.db2.gz CXDARDLLBXPNNU-RHSMWYFYSA-N 1 2 344.459 2.052 20 30 EEEDLO CO[C@H](C)C(=O)N1CC2(C1)CCC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC000981648373 777872099 /nfs/dbraw/zinc/87/20/99/777872099.db2.gz AJDSTGKXRFEWHN-CQSZACIVSA-N 1 2 345.418 2.157 20 30 EEEDLO CO[C@H](C)C(=O)N1CC2(C1)CCC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC000981648373 777872105 /nfs/dbraw/zinc/87/21/05/777872105.db2.gz AJDSTGKXRFEWHN-CQSZACIVSA-N 1 2 345.418 2.157 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001212346987 777877422 /nfs/dbraw/zinc/87/74/22/777877422.db2.gz MSIAUXGSVRVMNE-QZTJIDSGSA-N 1 2 345.418 2.369 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1OC ZINC001212346987 777877431 /nfs/dbraw/zinc/87/74/31/777877431.db2.gz MSIAUXGSVRVMNE-QZTJIDSGSA-N 1 2 345.418 2.369 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000981754288 778140237 /nfs/dbraw/zinc/14/02/37/778140237.db2.gz BNPRJNKIWXUSMR-OAHLLOKOSA-N 1 2 335.492 2.180 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[N@H+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000981754288 778140242 /nfs/dbraw/zinc/14/02/42/778140242.db2.gz BNPRJNKIWXUSMR-OAHLLOKOSA-N 1 2 335.492 2.180 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)c2ncc(C)o2)c1 ZINC001028126688 778269190 /nfs/dbraw/zinc/26/91/90/778269190.db2.gz OIGZIWYQFGKSBF-PBHICJAKSA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)c2ncc(C)o2)c1 ZINC001028126688 778269193 /nfs/dbraw/zinc/26/91/93/778269193.db2.gz OIGZIWYQFGKSBF-PBHICJAKSA-N 1 2 338.411 2.315 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+](Cc2ccnc(OC)n2)CC1 ZINC000981873231 778446361 /nfs/dbraw/zinc/44/63/61/778446361.db2.gz JXJGKOSVINKQNL-SFHVURJKSA-N 1 2 332.448 2.122 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+](Cc2ccnc(OC)n2)CC1 ZINC000981873231 778446368 /nfs/dbraw/zinc/44/63/68/778446368.db2.gz JXJGKOSVINKQNL-SFHVURJKSA-N 1 2 332.448 2.122 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(CCC(N)=O)cc2)[C@H]1C ZINC001088847358 790626158 /nfs/dbraw/zinc/62/61/58/790626158.db2.gz NPBWGNMCLQBDTH-CJNGLKHVSA-N 1 2 349.862 2.050 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(CCC(N)=O)cc2)[C@H]1C ZINC001088847358 790626171 /nfs/dbraw/zinc/62/61/71/790626171.db2.gz NPBWGNMCLQBDTH-CJNGLKHVSA-N 1 2 349.862 2.050 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)c3cnco3)C2)C1 ZINC000981923657 778546479 /nfs/dbraw/zinc/54/64/79/778546479.db2.gz CMMANFOITOMBRX-UHFFFAOYSA-N 1 2 340.221 2.121 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)c3cnco3)C2)C1 ZINC000981923657 778546481 /nfs/dbraw/zinc/54/64/81/778546481.db2.gz CMMANFOITOMBRX-UHFFFAOYSA-N 1 2 340.221 2.121 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1ccon1)C2 ZINC000982063927 779024924 /nfs/dbraw/zinc/02/49/24/779024924.db2.gz BXIGDSNNLCCDMU-IRXDYDNUSA-N 1 2 345.443 2.080 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1ccon1)C2 ZINC000982063927 779024928 /nfs/dbraw/zinc/02/49/28/779024928.db2.gz BXIGDSNNLCCDMU-IRXDYDNUSA-N 1 2 345.443 2.080 20 30 EEEDLO Cc1c[nH]c(C(=O)N2CCC[N@H+](CC#Cc3ccc(F)cc3)CC2)n1 ZINC000982139690 779162157 /nfs/dbraw/zinc/16/21/57/779162157.db2.gz YHYMOTXHVQFGLR-UHFFFAOYSA-N 1 2 340.402 2.057 20 30 EEEDLO Cc1c[nH]c(C(=O)N2CCC[N@@H+](CC#Cc3ccc(F)cc3)CC2)n1 ZINC000982139690 779162160 /nfs/dbraw/zinc/16/21/60/779162160.db2.gz YHYMOTXHVQFGLR-UHFFFAOYSA-N 1 2 340.402 2.057 20 30 EEEDLO C=C(C)C[N@H+](C)CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O ZINC000182620514 779348927 /nfs/dbraw/zinc/34/89/27/779348927.db2.gz YZXHOACOVVHRPF-UHFFFAOYSA-N 1 2 345.443 2.211 20 30 EEEDLO C=C(C)C[N@@H+](C)CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O ZINC000182620514 779348934 /nfs/dbraw/zinc/34/89/34/779348934.db2.gz YZXHOACOVVHRPF-UHFFFAOYSA-N 1 2 345.443 2.211 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@@H](F)C3)C2)cc1F ZINC001031929990 780018718 /nfs/dbraw/zinc/01/87/18/780018718.db2.gz QGQCHFDPEKYUSU-GOEBONIOSA-N 1 2 333.382 2.384 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCCC[C@@H](C)CC)C2)nn1 ZINC001098679317 780909454 /nfs/dbraw/zinc/90/94/54/780909454.db2.gz YFFNNAZFNTZQPQ-FUHWJXTLSA-N 1 2 345.491 2.381 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCCC[C@@H](C)CC)C2)nn1 ZINC001098679319 780912348 /nfs/dbraw/zinc/91/23/48/780912348.db2.gz YFFNNAZFNTZQPQ-WMZOPIPTSA-N 1 2 345.491 2.381 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001033261067 783237489 /nfs/dbraw/zinc/23/74/89/783237489.db2.gz DKZOPZLAXUGTBE-OAHLLOKOSA-N 1 2 332.835 2.391 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc3n[nH]cc3c2)C1 ZINC001033261067 783237498 /nfs/dbraw/zinc/23/74/98/783237498.db2.gz DKZOPZLAXUGTBE-OAHLLOKOSA-N 1 2 332.835 2.391 20 30 EEEDLO Cc1csc(C[N@H+]2C[C@H](NC(=O)CSCC#N)CC[C@H]2C)n1 ZINC001131826260 783289406 /nfs/dbraw/zinc/28/94/06/783289406.db2.gz OMKMITQLDSFAOF-CHWSQXEVSA-N 1 2 338.502 2.177 20 30 EEEDLO Cc1csc(C[N@@H+]2C[C@H](NC(=O)CSCC#N)CC[C@H]2C)n1 ZINC001131826260 783289413 /nfs/dbraw/zinc/28/94/13/783289413.db2.gz OMKMITQLDSFAOF-CHWSQXEVSA-N 1 2 338.502 2.177 20 30 EEEDLO C[C@H](CNc1cccc(F)c1C#N)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001108099845 783304833 /nfs/dbraw/zinc/30/48/33/783304833.db2.gz ALIOEWXBQGBSRQ-VXGBXAGGSA-N 1 2 341.390 2.457 20 30 EEEDLO CO[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1)C1CCC1 ZINC001032544050 790936230 /nfs/dbraw/zinc/93/62/30/790936230.db2.gz BNGAJWFCIXCPCO-GBESFXJTSA-N 1 2 339.439 2.158 20 30 EEEDLO Cc1nc(C[N@H+]2C[C@H](NC(=O)CSCC#N)CC[C@H]2C)c(C)o1 ZINC001131831089 783327737 /nfs/dbraw/zinc/32/77/37/783327737.db2.gz YDYQWEHGLGIGFT-BXUZGUMPSA-N 1 2 336.461 2.017 20 30 EEEDLO Cc1nc(C[N@@H+]2C[C@H](NC(=O)CSCC#N)CC[C@H]2C)c(C)o1 ZINC001131831089 783327748 /nfs/dbraw/zinc/32/77/48/783327748.db2.gz YDYQWEHGLGIGFT-BXUZGUMPSA-N 1 2 336.461 2.017 20 30 EEEDLO CO[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1)C1CCC1 ZINC001032544050 790936237 /nfs/dbraw/zinc/93/62/37/790936237.db2.gz BNGAJWFCIXCPCO-GBESFXJTSA-N 1 2 339.439 2.158 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCCCC[C@@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001088280871 783349170 /nfs/dbraw/zinc/34/91/70/783349170.db2.gz CROIVNOKJIPOFE-UKRRQHHQSA-N 1 2 345.447 2.358 20 30 EEEDLO CO[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1)C1CCC1 ZINC001032544049 790936387 /nfs/dbraw/zinc/93/63/87/790936387.db2.gz BNGAJWFCIXCPCO-FHWLQOOXSA-N 1 2 339.439 2.158 20 30 EEEDLO CO[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1)C1CCC1 ZINC001032544049 790936395 /nfs/dbraw/zinc/93/63/95/790936395.db2.gz BNGAJWFCIXCPCO-FHWLQOOXSA-N 1 2 339.439 2.158 20 30 EEEDLO C#CCC1(C(=O)NCC[NH2+]Cc2nc(-c3cccs3)no2)CCC1 ZINC001129124924 784100980 /nfs/dbraw/zinc/10/09/80/784100980.db2.gz GKZQHBUUGZXCKW-UHFFFAOYSA-N 1 2 344.440 2.198 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001035454803 784503940 /nfs/dbraw/zinc/50/39/40/784503940.db2.gz OJLKXCFOBXEXCP-VNQPRFMTSA-N 1 2 336.382 2.071 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001035454803 784503946 /nfs/dbraw/zinc/50/39/46/784503946.db2.gz OJLKXCFOBXEXCP-VNQPRFMTSA-N 1 2 336.382 2.071 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2noc3c2CC(C)(C)CC3)C1 ZINC001035456672 784506975 /nfs/dbraw/zinc/50/69/75/784506975.db2.gz KPOBFEMLWVZJRK-CQSZACIVSA-N 1 2 347.459 2.196 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2noc3c2CC(C)(C)CC3)C1 ZINC001035456672 784506979 /nfs/dbraw/zinc/50/69/79/784506979.db2.gz KPOBFEMLWVZJRK-CQSZACIVSA-N 1 2 347.459 2.196 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc3ccc(F)cc3s2)C1 ZINC001035437334 784525484 /nfs/dbraw/zinc/52/54/84/784525484.db2.gz HDLJWLBNFLYAFW-HNNXBMFYSA-N 1 2 346.427 2.494 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc3ccc(F)cc3s2)C1 ZINC001035437334 784525490 /nfs/dbraw/zinc/52/54/90/784525490.db2.gz HDLJWLBNFLYAFW-HNNXBMFYSA-N 1 2 346.427 2.494 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC001035534889 784691516 /nfs/dbraw/zinc/69/15/16/784691516.db2.gz DNXZYUSCPHDLCF-CEXWTWQISA-N 1 2 328.456 2.410 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC001035534889 784691521 /nfs/dbraw/zinc/69/15/21/784691521.db2.gz DNXZYUSCPHDLCF-CEXWTWQISA-N 1 2 328.456 2.410 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(C(F)(F)F)n2)C1 ZINC001035553467 784723302 /nfs/dbraw/zinc/72/33/02/784723302.db2.gz CZXAVIMUAUDYGY-GFCCVEGCSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccc(C(F)(F)F)n2)C1 ZINC001035553467 784723308 /nfs/dbraw/zinc/72/33/08/784723308.db2.gz CZXAVIMUAUDYGY-GFCCVEGCSA-N 1 2 343.349 2.107 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(Br)o2)C1 ZINC001035584923 784789977 /nfs/dbraw/zinc/78/99/77/784789977.db2.gz ZBVDHPWJANTNNT-LLVKDONJSA-N 1 2 343.221 2.049 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(Br)o2)C1 ZINC001035584923 784789981 /nfs/dbraw/zinc/78/99/81/784789981.db2.gz ZBVDHPWJANTNNT-LLVKDONJSA-N 1 2 343.221 2.049 20 30 EEEDLO Cc1nn(C)c(C)c1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032549761 791064366 /nfs/dbraw/zinc/06/43/66/791064366.db2.gz OAPMBHKATLTKFM-ROUUACIJSA-N 1 2 349.438 2.008 20 30 EEEDLO Cc1nn(C)c(C)c1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032549761 791064382 /nfs/dbraw/zinc/06/43/82/791064382.db2.gz OAPMBHKATLTKFM-ROUUACIJSA-N 1 2 349.438 2.008 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088867323 791078943 /nfs/dbraw/zinc/07/89/43/791078943.db2.gz QCVFEILIFVSFPQ-OSLDLMBLSA-N 1 2 345.418 2.201 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001088867323 791078947 /nfs/dbraw/zinc/07/89/47/791078947.db2.gz QCVFEILIFVSFPQ-OSLDLMBLSA-N 1 2 345.418 2.201 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cnc(Cl)n1C)CC2 ZINC001035749468 785106426 /nfs/dbraw/zinc/10/64/26/785106426.db2.gz URLWIGYCQQXPCB-UHFFFAOYSA-N 1 2 343.258 2.364 20 30 EEEDLO Cc1cc(NC/C=C/CNC(=O)c2ccc(C#N)[nH]2)nc(C2CC2)[nH+]1 ZINC001107127951 785333935 /nfs/dbraw/zinc/33/39/35/785333935.db2.gz QBHRMMKUOBKZSQ-NSCUHMNNSA-N 1 2 336.399 2.260 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@]3(C)CCC[C@H]3CC)nn2)C1 ZINC001107182738 786243271 /nfs/dbraw/zinc/24/32/71/786243271.db2.gz ZCSROLPWKNQFMG-KDOFPFPSSA-N 1 2 331.464 2.153 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NCc1cn(C2C[NH+](CC=C(C)C)C2)nn1 ZINC001107197113 786355309 /nfs/dbraw/zinc/35/53/09/786355309.db2.gz BJRRCMIETUWPLR-GJZGRUSLSA-N 1 2 331.464 2.175 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(C)CCCNc1[nH+]cnc2c1cnn2C ZINC001109586892 805720287 /nfs/dbraw/zinc/72/02/87/805720287.db2.gz OBUROTJUAVFNTN-CHWSQXEVSA-N 1 2 330.436 2.082 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3occc3s2)[C@H](O)C1 ZINC001090570849 787009073 /nfs/dbraw/zinc/00/90/73/787009073.db2.gz VKATWXUURLFNJU-GHMZBOCLSA-N 1 2 340.832 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3occc3s2)[C@H](O)C1 ZINC001090570849 787009079 /nfs/dbraw/zinc/00/90/79/787009079.db2.gz VKATWXUURLFNJU-GHMZBOCLSA-N 1 2 340.832 2.412 20 30 EEEDLO Cc1nc(N(C)C[C@H]2CCN(C(=O)[C@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001062096403 787378173 /nfs/dbraw/zinc/37/81/73/787378173.db2.gz LFQAORGBYGPEAB-UKRRQHHQSA-N 1 2 341.459 2.108 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H](CN(C)c2cc[nH+]c(C)n2)C1 ZINC001062135270 787447687 /nfs/dbraw/zinc/44/76/87/787447687.db2.gz JBIVCYCDDRGFKH-KRWDZBQOSA-N 1 2 348.450 2.294 20 30 EEEDLO C=C(C)CCC(=O)N1CCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001062244136 787689114 /nfs/dbraw/zinc/68/91/14/787689114.db2.gz YMYOBHGEGINXII-MRXNPFEDSA-N 1 2 346.475 2.206 20 30 EEEDLO Cc1nsc(NCCCN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1C#N ZINC001109644251 805817864 /nfs/dbraw/zinc/81/78/64/805817864.db2.gz ZIRGPGKLWFLSMF-LLVKDONJSA-N 1 2 346.460 2.186 20 30 EEEDLO Cc1nsc(NCCCN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1C#N ZINC001109644251 805817874 /nfs/dbraw/zinc/81/78/74/805817874.db2.gz ZIRGPGKLWFLSMF-LLVKDONJSA-N 1 2 346.460 2.186 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccoc2CCC)[C@H](O)C1 ZINC001090724244 787919365 /nfs/dbraw/zinc/91/93/65/787919365.db2.gz HIRKDZCWGIYGED-ZIAGYGMSSA-N 1 2 326.824 2.150 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2CCC)[C@H](O)C1 ZINC001090724244 787919368 /nfs/dbraw/zinc/91/93/68/787919368.db2.gz HIRKDZCWGIYGED-ZIAGYGMSSA-N 1 2 326.824 2.150 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2)[C@@H](O)C1 ZINC001090788217 788276417 /nfs/dbraw/zinc/27/64/17/788276417.db2.gz XHFRMISPQBVUDM-CVEARBPZSA-N 1 2 336.863 2.268 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccccc2)[C@@H](O)C1 ZINC001090788217 788276422 /nfs/dbraw/zinc/27/64/22/788276422.db2.gz XHFRMISPQBVUDM-CVEARBPZSA-N 1 2 336.863 2.268 20 30 EEEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000824866386 788326088 /nfs/dbraw/zinc/32/60/88/788326088.db2.gz AVNWMCMCVLOKHM-CYBMUJFWSA-N 1 2 344.411 2.297 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060783482 788454955 /nfs/dbraw/zinc/45/49/55/788454955.db2.gz IBWYGLGJHYKDOR-FZKCQIBNSA-N 1 2 346.475 2.202 20 30 EEEDLO C[C@@H](C#N)C(=O)NC[C@]1(C)C[N@H+](CCc2ccccc2Cl)CCO1 ZINC001107820975 788604001 /nfs/dbraw/zinc/60/40/01/788604001.db2.gz HFDIYNBFXHYWSK-KBXCAEBGSA-N 1 2 349.862 2.249 20 30 EEEDLO C[C@@H](C#N)C(=O)NC[C@]1(C)C[N@@H+](CCc2ccccc2Cl)CCO1 ZINC001107820975 788604005 /nfs/dbraw/zinc/60/40/05/788604005.db2.gz HFDIYNBFXHYWSK-KBXCAEBGSA-N 1 2 349.862 2.249 20 30 EEEDLO C[C@]1(CNC(=O)CCC2CC2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107827721 788609073 /nfs/dbraw/zinc/60/90/73/788609073.db2.gz YSSRCVCHTJGWIC-FQEVSTJZSA-N 1 2 341.455 2.456 20 30 EEEDLO C[C@]1(CNC(=O)CCC2CC2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107827721 788609080 /nfs/dbraw/zinc/60/90/80/788609080.db2.gz YSSRCVCHTJGWIC-FQEVSTJZSA-N 1 2 341.455 2.456 20 30 EEEDLO C[C@H](CC(=O)N(C)C1CC(Nc2ccc(C#N)nc2)C1)n1cc[nH+]c1 ZINC001127080210 788739521 /nfs/dbraw/zinc/73/95/21/788739521.db2.gz NGDFQPQLGOXTHN-NVPAJSRCSA-N 1 2 338.415 2.202 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001109767862 805950887 /nfs/dbraw/zinc/95/08/87/805950887.db2.gz OCOXBCVIDSOWQS-SIXLDLHFSA-N 1 2 347.503 2.225 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C1CC1 ZINC001109767862 805950890 /nfs/dbraw/zinc/95/08/90/805950890.db2.gz OCOXBCVIDSOWQS-SIXLDLHFSA-N 1 2 347.503 2.225 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)CC(=O)c2ccccc2F)C1 ZINC000923572919 789799495 /nfs/dbraw/zinc/79/94/95/789799495.db2.gz HQBLFRJCMGLGDI-LSDHHAIUSA-N 1 2 330.403 2.248 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)CC(=O)c2ccccc2F)C1 ZINC000923572919 789799499 /nfs/dbraw/zinc/79/94/99/789799499.db2.gz HQBLFRJCMGLGDI-LSDHHAIUSA-N 1 2 330.403 2.248 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NCCN(CCC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001101185338 789815833 /nfs/dbraw/zinc/81/58/33/789815833.db2.gz VDQAJEJMUATPKS-HNNXBMFYSA-N 1 2 344.459 2.033 20 30 EEEDLO Cc1noc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)c1C ZINC001032465425 789858496 /nfs/dbraw/zinc/85/84/96/789858496.db2.gz GYUCSAFSOOFMHP-IRXDYDNUSA-N 1 2 336.395 2.262 20 30 EEEDLO Cc1noc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)c1C ZINC001032465425 789858505 /nfs/dbraw/zinc/85/85/05/789858505.db2.gz GYUCSAFSOOFMHP-IRXDYDNUSA-N 1 2 336.395 2.262 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001060308512 789936067 /nfs/dbraw/zinc/93/60/67/789936067.db2.gz CWMORWBUHGSDQF-XHSDSOJGSA-N 1 2 330.432 2.169 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)nc1 ZINC001060317810 790023160 /nfs/dbraw/zinc/02/31/60/790023160.db2.gz OICFHMAPQFJOQA-MRXNPFEDSA-N 1 2 338.415 2.102 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)nc1 ZINC001060317810 790023167 /nfs/dbraw/zinc/02/31/67/790023167.db2.gz OICFHMAPQFJOQA-MRXNPFEDSA-N 1 2 338.415 2.102 20 30 EEEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2c(Br)nnc2C1 ZINC001171221255 790129599 /nfs/dbraw/zinc/12/95/99/790129599.db2.gz JRCYOWNWKFCYEX-LLVKDONJSA-N 1 2 346.232 2.359 20 30 EEEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCn2c(Br)nnc2C1 ZINC001171221255 790129603 /nfs/dbraw/zinc/12/96/03/790129603.db2.gz JRCYOWNWKFCYEX-LLVKDONJSA-N 1 2 346.232 2.359 20 30 EEEDLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCN(c2ccc(C#N)nc2)C1 ZINC001063065376 790175197 /nfs/dbraw/zinc/17/51/97/790175197.db2.gz ARBGEQRQLSSGSB-INIZCTEOSA-N 1 2 346.394 2.180 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nnc(C)[nH]1)C2 ZINC001148125357 792201484 /nfs/dbraw/zinc/20/14/84/792201484.db2.gz MNVIPGXPOJZKTJ-ZFWWWQNUSA-N 1 2 331.464 2.311 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nnc(C)[nH]1)C2 ZINC001148125357 792201493 /nfs/dbraw/zinc/20/14/93/792201493.db2.gz MNVIPGXPOJZKTJ-ZFWWWQNUSA-N 1 2 331.464 2.311 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCOc2ccc(C)c(C)c2)C1 ZINC001107983617 792469744 /nfs/dbraw/zinc/46/97/44/792469744.db2.gz PCMZCVZRFDNEGP-HXUWFJFHSA-N 1 2 346.471 2.465 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCOc2ccc(C)c(C)c2)C1 ZINC001107983617 792469751 /nfs/dbraw/zinc/46/97/51/792469751.db2.gz PCMZCVZRFDNEGP-HXUWFJFHSA-N 1 2 346.471 2.465 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[C@H]2CNc2cc[nH+]c(C)n2)c1 ZINC001064137554 792543360 /nfs/dbraw/zinc/54/33/60/792543360.db2.gz JNVJWWBGOBRYFO-RDJZCZTQSA-N 1 2 335.411 2.172 20 30 EEEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nc3c(o2)CCCC3)CCOCC1 ZINC001149325956 792735030 /nfs/dbraw/zinc/73/50/30/792735030.db2.gz XVLNHWDAVGQDGJ-UHFFFAOYSA-N 1 2 347.459 2.132 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1coc(C3CC3)n1)C2 ZINC001148900108 792771017 /nfs/dbraw/zinc/77/10/17/792771017.db2.gz RSAPEEHHMOXIFF-AWEZNQCLSA-N 1 2 345.443 2.177 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC001148900108 792771024 /nfs/dbraw/zinc/77/10/24/792771024.db2.gz RSAPEEHHMOXIFF-AWEZNQCLSA-N 1 2 345.443 2.177 20 30 EEEDLO Cc1cc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)no1 ZINC001089160523 792922654 /nfs/dbraw/zinc/92/26/54/792922654.db2.gz DEHQMSQZOAJHJQ-INIZCTEOSA-N 1 2 341.415 2.310 20 30 EEEDLO Cc1cc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)no1 ZINC001089160523 792922659 /nfs/dbraw/zinc/92/26/59/792922659.db2.gz DEHQMSQZOAJHJQ-INIZCTEOSA-N 1 2 341.415 2.310 20 30 EEEDLO C[C@H]1CC2(CN1C(=O)c1cccc3[nH+]ccn31)CCN(CC#N)CC2 ZINC001086932456 793067369 /nfs/dbraw/zinc/06/73/69/793067369.db2.gz LHIFPIBYUKNZFX-HNNXBMFYSA-N 1 2 337.427 2.174 20 30 EEEDLO Cc1nnsc1C[N@H+](C)C[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC001089175151 793092907 /nfs/dbraw/zinc/09/29/07/793092907.db2.gz QVTDAWPONCPJOE-HNNXBMFYSA-N 1 2 332.473 2.073 20 30 EEEDLO Cc1nnsc1C[N@@H+](C)C[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC001089175151 793092917 /nfs/dbraw/zinc/09/29/17/793092917.db2.gz QVTDAWPONCPJOE-HNNXBMFYSA-N 1 2 332.473 2.073 20 30 EEEDLO C=CCO[C@H](C)C(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1CC ZINC001091790012 793259494 /nfs/dbraw/zinc/25/94/94/793259494.db2.gz FBPMAYMKPPJMSA-HYVNUMGLSA-N 1 2 346.475 2.466 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)CCOCCN(C)c1cc[nH+]c(C)n1 ZINC001091898685 793430595 /nfs/dbraw/zinc/43/05/95/793430595.db2.gz SZGXQJIEPFRCFW-INIZCTEOSA-N 1 2 334.464 2.299 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](Nc2ncccc2C#N)C[C@@H]1C ZINC001064789814 793764865 /nfs/dbraw/zinc/76/48/65/793764865.db2.gz YFTGNEHGFCBMGM-WFASDCNBSA-N 1 2 338.415 2.019 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H](Nc3cc[nH+]c(C)n3)C[C@@H]2C)nc1 ZINC001064789858 793765497 /nfs/dbraw/zinc/76/54/97/793765497.db2.gz YVWGSEONWHZOFJ-XJKSGUPXSA-N 1 2 335.411 2.267 20 30 EEEDLO C[C@H]1C[C@H](Nc2ccc(C#N)nc2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001064834226 793828988 /nfs/dbraw/zinc/82/89/88/793828988.db2.gz BJUJLWQRJKUDGH-UONOGXRCSA-N 1 2 338.415 2.101 20 30 EEEDLO C[C@H]1C[C@H](Nc2ccc(C#N)nc2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001064834226 793828995 /nfs/dbraw/zinc/82/89/95/793828995.db2.gz BJUJLWQRJKUDGH-UONOGXRCSA-N 1 2 338.415 2.101 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1oc(C)cc1C)c1nccn12 ZINC001092358522 793830585 /nfs/dbraw/zinc/83/05/85/793830585.db2.gz FPCHRAUJEBCRSK-OAHLLOKOSA-N 1 2 338.411 2.002 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1cccc(C)c1)c1nccn12 ZINC001092390588 793888111 /nfs/dbraw/zinc/88/81/11/793888111.db2.gz BXSMKJKVQVRFDU-QGZVFWFLSA-N 1 2 336.439 2.192 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3[nH]ccc3c1)c1nccn12 ZINC001092391395 793889019 /nfs/dbraw/zinc/88/90/19/793889019.db2.gz VSMLZVFZHFTOMJ-QGZVFWFLSA-N 1 2 347.422 2.436 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H](CNc1nc(N(C)C)nc(C)[nH+]1)C1CC1 ZINC001109956703 806291162 /nfs/dbraw/zinc/29/11/62/806291162.db2.gz ARFCWOKEUACPHY-CQSZACIVSA-N 1 2 346.479 2.155 20 30 EEEDLO C[C@H](CC(=O)N1CCC[C@H]1CNc1ncccc1C#N)n1cc[nH+]c1 ZINC001065024563 794115432 /nfs/dbraw/zinc/11/54/32/794115432.db2.gz KJBLOOOZNUNAMK-ZBFHGGJFSA-N 1 2 338.415 2.204 20 30 EEEDLO Cc1nc(N2CC[C@@]3(C2)CCCCN(C(=O)[C@@H](C)C#N)C3)cc[nH+]1 ZINC001065178962 794320990 /nfs/dbraw/zinc/32/09/90/794320990.db2.gz NFZYOXTYPVRCOI-KBXCAEBGSA-N 1 2 327.432 2.154 20 30 EEEDLO CC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001079122649 794353776 /nfs/dbraw/zinc/35/37/76/794353776.db2.gz LJMSGXKFANCASL-FGZHOGPDSA-N 1 2 348.446 2.132 20 30 EEEDLO CC(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001079122649 794353787 /nfs/dbraw/zinc/35/37/87/794353787.db2.gz LJMSGXKFANCASL-FGZHOGPDSA-N 1 2 348.446 2.132 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@H]2[C@H](CC[N@H+]2Cc2nccn2C(F)F)C1 ZINC001036713791 794600437 /nfs/dbraw/zinc/60/04/37/794600437.db2.gz OETRFIBCHACXLT-CABCVRRESA-N 1 2 348.397 2.114 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccn2C(F)F)C1 ZINC001036713791 794600442 /nfs/dbraw/zinc/60/04/42/794600442.db2.gz OETRFIBCHACXLT-CABCVRRESA-N 1 2 348.397 2.114 20 30 EEEDLO C#CCCCC(=O)N(CC)C1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001079680718 795088779 /nfs/dbraw/zinc/08/87/79/795088779.db2.gz FYDWXBABAWYZCM-UHFFFAOYSA-N 1 2 341.455 2.483 20 30 EEEDLO Cc1ccc(C#N)c(N[C@@H](C)C[C@H](C)NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001089306712 795155899 /nfs/dbraw/zinc/15/58/99/795155899.db2.gz RGYQBJMUAFJPJZ-KBPBESRZSA-N 1 2 340.431 2.313 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC(N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001079792954 795202064 /nfs/dbraw/zinc/20/20/64/795202064.db2.gz MFYKVEMENSIXAN-BEFAXECRSA-N 1 2 346.475 2.496 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](C)n3cccc3)CC2)C1 ZINC001093528636 795315198 /nfs/dbraw/zinc/31/51/98/795315198.db2.gz LSQLAQCTRAALTL-MRXNPFEDSA-N 1 2 331.460 2.317 20 30 EEEDLO Cc1cc(NCC[C@H](C)NC(=O)c2c[nH]c(C#N)c2)nc(C2CC2)[nH+]1 ZINC001106279599 795332389 /nfs/dbraw/zinc/33/23/89/795332389.db2.gz LBSXDLZMZQOPTG-NSHDSACASA-N 1 2 338.415 2.483 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[C@@H](OC)C3)CC2)C1 ZINC001093566382 795377613 /nfs/dbraw/zinc/37/76/13/795377613.db2.gz SRSIEWAUSCAXNG-NVXWUHKLSA-N 1 2 336.476 2.069 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cc4ccccn4c3)CC2)C1 ZINC001093579556 795389557 /nfs/dbraw/zinc/38/95/57/795389557.db2.gz WYYVBBKUZDTZPY-UHFFFAOYSA-N 1 2 339.439 2.431 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C/C=C\c2cccc(F)c2)C1 ZINC001108001801 795448661 /nfs/dbraw/zinc/44/86/61/795448661.db2.gz NEOMWWNQDZFYMI-LQOHYYORSA-N 1 2 344.430 2.459 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C/C=C\c2cccc(F)c2)C1 ZINC001108001801 795448665 /nfs/dbraw/zinc/44/86/65/795448665.db2.gz NEOMWWNQDZFYMI-LQOHYYORSA-N 1 2 344.430 2.459 20 30 EEEDLO C[C@@H](CCNc1ccc(C#N)nc1)NC(=O)c1cccc2[nH+]ccn21 ZINC001106493432 795702272 /nfs/dbraw/zinc/70/22/72/795702272.db2.gz JIDUZUVXKCZDSO-ZDUSSCGKSA-N 1 2 334.383 2.221 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CCCOC2)s1 ZINC001032787327 795820768 /nfs/dbraw/zinc/82/07/68/795820768.db2.gz KCGCDDBHVZLKQO-ILXRZTDVSA-N 1 2 345.468 2.222 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CCCOC2)s1 ZINC001032787327 795820773 /nfs/dbraw/zinc/82/07/73/795820773.db2.gz KCGCDDBHVZLKQO-ILXRZTDVSA-N 1 2 345.468 2.222 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(CC)C1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001080311416 795870995 /nfs/dbraw/zinc/87/09/95/795870995.db2.gz CPQWPRFZEPBOIR-HUUCEWRRSA-N 1 2 346.475 2.250 20 30 EEEDLO C=C[C@H](CC)CC(=O)N(CC)C1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001080311416 795871006 /nfs/dbraw/zinc/87/10/06/795871006.db2.gz CPQWPRFZEPBOIR-HUUCEWRRSA-N 1 2 346.475 2.250 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCCNc1[nH+]c(C)nc(-n2cccn2)c1C ZINC001094051315 795894548 /nfs/dbraw/zinc/89/45/48/795894548.db2.gz SQAFLUAUYOIMEY-OAHLLOKOSA-N 1 2 342.447 2.410 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCCNc1[nH+]c(C)nc(-n2cccn2)c1C ZINC001094098560 795930831 /nfs/dbraw/zinc/93/08/31/795930831.db2.gz HZSNYYYPRMYNRK-GOSISDBHSA-N 1 2 342.447 2.410 20 30 EEEDLO Cc1nsc(NCC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1C#N ZINC001106624819 795980432 /nfs/dbraw/zinc/98/04/32/795980432.db2.gz CRSYYQRHUZGOLZ-YUSALJHKSA-N 1 2 344.444 2.157 20 30 EEEDLO Cc1nsc(NCC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1C#N ZINC001106624819 795980436 /nfs/dbraw/zinc/98/04/36/795980436.db2.gz CRSYYQRHUZGOLZ-YUSALJHKSA-N 1 2 344.444 2.157 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(CC)C1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001080467259 796040259 /nfs/dbraw/zinc/04/02/59/796040259.db2.gz PEUNBCHSKSELEN-BEFAXECRSA-N 1 2 346.475 2.496 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3C[C@H]3C3CCCC3)nn2)C1 ZINC001094331550 796104487 /nfs/dbraw/zinc/10/44/87/796104487.db2.gz BNRFCQRHPVDEDB-ROUUACIJSA-N 1 2 343.475 2.153 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3CC4CCC3CC4)nn2)C1 ZINC001094339798 796113829 /nfs/dbraw/zinc/11/38/29/796113829.db2.gz YMXCLNBVBDQGBX-JMLCCBQJSA-N 1 2 343.475 2.153 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CC12CC2 ZINC001080506133 796127165 /nfs/dbraw/zinc/12/71/65/796127165.db2.gz PCRHNDQTAUOHDR-OAUYIBNBSA-N 1 2 327.403 2.434 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CC12CC2 ZINC001080506133 796127170 /nfs/dbraw/zinc/12/71/70/796127170.db2.gz PCRHNDQTAUOHDR-OAUYIBNBSA-N 1 2 327.403 2.434 20 30 EEEDLO Cc1cnc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)s1 ZINC000993234026 796132949 /nfs/dbraw/zinc/13/29/49/796132949.db2.gz MIROZEFWUXEPEF-TZMCWYRMSA-N 1 2 343.456 2.434 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)s1 ZINC000993234026 796132954 /nfs/dbraw/zinc/13/29/54/796132954.db2.gz MIROZEFWUXEPEF-TZMCWYRMSA-N 1 2 343.456 2.434 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)c(C)s1)C2 ZINC001110074704 806492861 /nfs/dbraw/zinc/49/28/61/806492861.db2.gz CRRHSVLMKZWSGX-ILXRZTDVSA-N 1 2 347.484 2.002 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)c(C)s1)C2 ZINC001110074704 806492866 /nfs/dbraw/zinc/49/28/66/806492866.db2.gz CRRHSVLMKZWSGX-ILXRZTDVSA-N 1 2 347.484 2.002 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@@H]3CC[C@H](Nc4cc[nH+]c(C)n4)[C@@H]3C2)c1 ZINC001060552376 796362114 /nfs/dbraw/zinc/36/21/14/796362114.db2.gz DVBXDHOJHJXLRF-JQHSSLGASA-N 1 2 347.422 2.124 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2c(Cl)cnn2C)[C@@H]1C ZINC000993371136 796483362 /nfs/dbraw/zinc/48/33/62/796483362.db2.gz YOOFTVNTCOSOOM-JQWIXIFHSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2c(Cl)cnn2C)[C@@H]1C ZINC000993371136 796483365 /nfs/dbraw/zinc/48/33/65/796483365.db2.gz YOOFTVNTCOSOOM-JQWIXIFHSA-N 1 2 331.247 2.409 20 30 EEEDLO C=CCC1(C(=O)NCCCNc2[nH+]cnc3c2cnn3C)CCC1 ZINC001094752872 796562873 /nfs/dbraw/zinc/56/28/73/796562873.db2.gz UBOOVEOKUORXRT-UHFFFAOYSA-N 1 2 328.420 2.028 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3ccc(C(C)C)s3)CC2=O)C1 ZINC001094819213 796599413 /nfs/dbraw/zinc/59/94/13/796599413.db2.gz LUZZIPSLXXDSQJ-ZDUSSCGKSA-N 1 2 347.484 2.072 20 30 EEEDLO C=CCCC(=O)NCc1ccc([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001060580632 796642993 /nfs/dbraw/zinc/64/29/93/796642993.db2.gz HSAZCNYUXJFQDT-CQSZACIVSA-N 1 2 340.427 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccn(CC(F)F)n2)[C@H]1C ZINC000993483895 796764245 /nfs/dbraw/zinc/76/42/45/796764245.db2.gz FVKHGQZGNLSJGG-VXGBXAGGSA-N 1 2 346.809 2.483 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC(F)F)n2)[C@H]1C ZINC000993483895 796764249 /nfs/dbraw/zinc/76/42/49/796764249.db2.gz FVKHGQZGNLSJGG-VXGBXAGGSA-N 1 2 346.809 2.483 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ncnc3[nH]ccc32)[C@H]1C ZINC000993542567 796794742 /nfs/dbraw/zinc/79/47/42/796794742.db2.gz BHWIHSGZTWNFAM-YPMHNXCESA-N 1 2 333.823 2.245 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ncnc3[nH]ccc32)[C@H]1C ZINC000993542567 796794746 /nfs/dbraw/zinc/79/47/46/796794746.db2.gz BHWIHSGZTWNFAM-YPMHNXCESA-N 1 2 333.823 2.245 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2coc3ccc(CC)cc32)[C@H](OC)C1 ZINC001081670320 796844779 /nfs/dbraw/zinc/84/47/79/796844779.db2.gz NSOCLVMZAQFNLK-SJLPKXTDSA-N 1 2 326.396 2.057 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2coc3ccc(CC)cc32)[C@H](OC)C1 ZINC001081670320 796844781 /nfs/dbraw/zinc/84/47/81/796844781.db2.gz NSOCLVMZAQFNLK-SJLPKXTDSA-N 1 2 326.396 2.057 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cnco2)CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000993651292 796873965 /nfs/dbraw/zinc/87/39/65/796873965.db2.gz ZWPZIFQYBIHPNN-PBHICJAKSA-N 1 2 341.386 2.448 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cnco2)CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000993651292 796873971 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C=C(C)CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001066227824 800215056 /nfs/dbraw/zinc/21/50/56/800215056.db2.gz APGAKMDMFLCPHG-JKSUJKDBSA-N 1 2 346.475 2.442 20 30 EEEDLO Cc1noc(C)c1C(=O)N(C)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001032891826 800281824 /nfs/dbraw/zinc/28/18/24/800281824.db2.gz BFWQBMNMJGNMDI-SFHVURJKSA-N 1 2 337.423 2.489 20 30 EEEDLO Cc1noc(C)c1C(=O)N(C)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001032891826 800281827 /nfs/dbraw/zinc/28/18/27/800281827.db2.gz BFWQBMNMJGNMDI-SFHVURJKSA-N 1 2 337.423 2.489 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)c1cccnc1 ZINC001085458871 800551267 /nfs/dbraw/zinc/55/12/67/800551267.db2.gz SRIWKHSAQRQXNK-AWEZNQCLSA-N 1 2 326.425 2.361 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)c1cccnc1 ZINC001085458871 800551271 /nfs/dbraw/zinc/55/12/71/800551271.db2.gz SRIWKHSAQRQXNK-AWEZNQCLSA-N 1 2 326.425 2.361 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)C1=COCCC1 ZINC001085510482 800666169 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EEEDLO COc1ccc(C#CC(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)cc1 ZINC001182049213 801013616 /nfs/dbraw/zinc/01/36/16/801013616.db2.gz ZHQCEESCUDVUMI-QGZVFWFLSA-N 1 2 348.393 2.379 20 30 EEEDLO Cc1ccc(C#N)c(NC2(CNC(=O)c3cccc4[nH+]ccn43)CC2)n1 ZINC001110276707 801114487 /nfs/dbraw/zinc/11/44/87/801114487.db2.gz KSKKDKHZIQPVRI-UHFFFAOYSA-N 1 2 346.394 2.284 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(CCC)no2)C1 ZINC001182841607 801372553 /nfs/dbraw/zinc/37/25/53/801372553.db2.gz RXVQVXQVRSUSGP-OAHLLOKOSA-N 1 2 332.448 2.481 20 30 EEEDLO C=C(C)[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1)OCC ZINC001182954294 801406089 /nfs/dbraw/zinc/40/60/89/801406089.db2.gz QPEWOMVSKCGYIM-HUUCEWRRSA-N 1 2 348.447 2.009 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC12CC2 ZINC001085841490 801411350 /nfs/dbraw/zinc/41/13/50/801411350.db2.gz DUKPBKSGWKYLCG-DLBZAZTESA-N 1 2 339.439 2.400 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC12CC2 ZINC001085841490 801411355 /nfs/dbraw/zinc/41/13/55/801411355.db2.gz DUKPBKSGWKYLCG-DLBZAZTESA-N 1 2 339.439 2.400 20 30 EEEDLO C#Cc1cncc(C(=O)NCC2(Nc3cc(C)[nH+]c(C4CC4)n3)CC2)c1 ZINC001110331892 801558278 /nfs/dbraw/zinc/55/82/78/801558278.db2.gz UUGVNYNRWDXGIH-UHFFFAOYSA-N 1 2 347.422 2.413 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001066336580 801559858 /nfs/dbraw/zinc/55/98/58/801559858.db2.gz NAXZZTVRWONKLP-HNNXBMFYSA-N 1 2 346.475 2.062 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCC2(COC2)C1 ZINC001183828274 801760137 /nfs/dbraw/zinc/76/01/37/801760137.db2.gz FGVPLMXROGVXQU-SFHVURJKSA-N 1 2 339.439 2.162 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(COC2)C1 ZINC001183828274 801760143 /nfs/dbraw/zinc/76/01/43/801760143.db2.gz FGVPLMXROGVXQU-SFHVURJKSA-N 1 2 339.439 2.162 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CN(C)C(=O)C2CCC=CCC2)C1=O ZINC001085975597 801815024 /nfs/dbraw/zinc/81/50/24/801815024.db2.gz BAYVOLFTKBJOGW-QZTJIDSGSA-N 1 2 345.487 2.052 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CN(C)C(=O)C2CCC=CCC2)C1=O ZINC001085975597 801815031 /nfs/dbraw/zinc/81/50/31/801815031.db2.gz BAYVOLFTKBJOGW-QZTJIDSGSA-N 1 2 345.487 2.052 20 30 EEEDLO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1[nH]nnc1-c1ccccc1 ZINC001085987100 801841855 /nfs/dbraw/zinc/84/18/55/801841855.db2.gz UPSFTCYZKCTMNM-OAHLLOKOSA-N 1 2 325.416 2.194 20 30 EEEDLO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1[nH]nnc1-c1ccccc1 ZINC001085987100 801841864 /nfs/dbraw/zinc/84/18/64/801841864.db2.gz UPSFTCYZKCTMNM-OAHLLOKOSA-N 1 2 325.416 2.194 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001108242137 802097620 /nfs/dbraw/zinc/09/76/20/802097620.db2.gz IZRCAPLFQOVRGH-KRWDZBQOSA-N 1 2 342.361 2.040 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001108242137 802097626 /nfs/dbraw/zinc/09/76/26/802097626.db2.gz IZRCAPLFQOVRGH-KRWDZBQOSA-N 1 2 342.361 2.040 20 30 EEEDLO COc1cc(C)cnc1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004459344 802126164 /nfs/dbraw/zinc/12/61/64/802126164.db2.gz SYIAGWNPYPJEGG-MRXNPFEDSA-N 1 2 342.443 2.239 20 30 EEEDLO COc1cc(C)cnc1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004459344 802126167 /nfs/dbraw/zinc/12/61/67/802126167.db2.gz SYIAGWNPYPJEGG-MRXNPFEDSA-N 1 2 342.443 2.239 20 30 EEEDLO Cc1ccn([C@H](C)CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004497840 802228762 /nfs/dbraw/zinc/22/87/62/802228762.db2.gz DVHIROSYNAMVTF-SJLPKXTDSA-N 1 2 343.475 2.369 20 30 EEEDLO Cc1ccn([C@H](C)CC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004497840 802228769 /nfs/dbraw/zinc/22/87/69/802228769.db2.gz DVHIROSYNAMVTF-SJLPKXTDSA-N 1 2 343.475 2.369 20 30 EEEDLO C#CCCCCCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc(COC)no2)C1 ZINC001184900133 802235935 /nfs/dbraw/zinc/23/59/35/802235935.db2.gz IZPWBAHGXWAOTM-HUUCEWRRSA-N 1 2 348.447 2.051 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc3n[nH]cc3c2)CC1 ZINC001004522738 802286148 /nfs/dbraw/zinc/28/61/48/802286148.db2.gz OURKFGJPNBFGOO-GOSISDBHSA-N 1 2 337.427 2.403 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc3n[nH]cc3c2)CC1 ZINC001004522738 802286154 /nfs/dbraw/zinc/28/61/54/802286154.db2.gz OURKFGJPNBFGOO-GOSISDBHSA-N 1 2 337.427 2.403 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2cncs2)CC1 ZINC001004541607 802333936 /nfs/dbraw/zinc/33/39/36/802333936.db2.gz KCHBETGWWZYRFE-INIZCTEOSA-N 1 2 332.473 2.302 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2cncs2)CC1 ZINC001004541607 802333942 /nfs/dbraw/zinc/33/39/42/802333942.db2.gz KCHBETGWWZYRFE-INIZCTEOSA-N 1 2 332.473 2.302 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001066430198 802391111 /nfs/dbraw/zinc/39/11/11/802391111.db2.gz ZJFBMCNPJNXUKJ-HUUCEWRRSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001066432176 802402864 /nfs/dbraw/zinc/40/28/64/802402864.db2.gz SDABFJMSQKYOTC-JKSUJKDBSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001066432176 802402869 /nfs/dbraw/zinc/40/28/69/802402869.db2.gz SDABFJMSQKYOTC-JKSUJKDBSA-N 1 2 346.475 2.442 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@@H]2CCCOC2)CC1 ZINC001004588632 802408181 /nfs/dbraw/zinc/40/81/81/802408181.db2.gz AZEPVGUVINDSMO-FUHWJXTLSA-N 1 2 333.476 2.420 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@@H]2CCCOC2)CC1 ZINC001004588632 802408185 /nfs/dbraw/zinc/40/81/85/802408185.db2.gz AZEPVGUVINDSMO-FUHWJXTLSA-N 1 2 333.476 2.420 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)nc1 ZINC001066434521 802427974 /nfs/dbraw/zinc/42/79/74/802427974.db2.gz GVFMMDZPROQMHJ-CTYIDZIISA-N 1 2 338.415 2.006 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cc3c([nH]2)CCC3)CC1 ZINC001004595918 802449002 /nfs/dbraw/zinc/44/90/02/802449002.db2.gz KIKDPDISOGVUKY-SFHVURJKSA-N 1 2 326.444 2.344 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cc3c([nH]2)CCC3)CC1 ZINC001004595918 802449004 /nfs/dbraw/zinc/44/90/04/802449004.db2.gz KIKDPDISOGVUKY-SFHVURJKSA-N 1 2 326.444 2.344 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)Cc2ccccc2)C1 ZINC001108251337 802466126 /nfs/dbraw/zinc/46/61/26/802466126.db2.gz BQTMWDCUVQZBRX-PZJWPPBQSA-N 1 2 342.483 2.486 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)Cc2ccccc2)C1 ZINC001108251337 802466130 /nfs/dbraw/zinc/46/61/30/802466130.db2.gz BQTMWDCUVQZBRX-PZJWPPBQSA-N 1 2 342.483 2.486 20 30 EEEDLO Cn1ncc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)c1C1CC1 ZINC001004626721 802502437 /nfs/dbraw/zinc/50/24/37/802502437.db2.gz UDEXNOMOIBWLPH-QGZVFWFLSA-N 1 2 341.459 2.138 20 30 EEEDLO Cn1ncc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c1C1CC1 ZINC001004626721 802502441 /nfs/dbraw/zinc/50/24/41/802502441.db2.gz UDEXNOMOIBWLPH-QGZVFWFLSA-N 1 2 341.459 2.138 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccc(N3CCCC3)c2)C1 ZINC001108302404 803259198 /nfs/dbraw/zinc/25/91/98/803259198.db2.gz JNLJNYDEAASVHO-FQEVSTJZSA-N 1 2 343.471 2.294 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccc(N3CCCC3)c2)C1 ZINC001108302404 803259199 /nfs/dbraw/zinc/25/91/99/803259199.db2.gz JNLJNYDEAASVHO-FQEVSTJZSA-N 1 2 343.471 2.294 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cccc3ccncc32)C1 ZINC001108317426 803266018 /nfs/dbraw/zinc/26/60/18/803266018.db2.gz JNJCDZJIACXHGE-HXUWFJFHSA-N 1 2 337.423 2.079 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2cccc3ccncc32)C1 ZINC001108317426 803266023 /nfs/dbraw/zinc/26/60/23/803266023.db2.gz JNJCDZJIACXHGE-HXUWFJFHSA-N 1 2 337.423 2.079 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2coc(-c3ccccc3)n2)C1 ZINC001108346895 803331434 /nfs/dbraw/zinc/33/14/34/803331434.db2.gz BAZYYHTWWQMLOL-LJQANCHMSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2coc(-c3ccccc3)n2)C1 ZINC001108346895 803331441 /nfs/dbraw/zinc/33/14/41/803331441.db2.gz BAZYYHTWWQMLOL-LJQANCHMSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)OCCc2ccccc2)C1 ZINC001108373223 803388035 /nfs/dbraw/zinc/38/80/35/803388035.db2.gz RCHKMHXNTPDJEW-YLJYHZDGSA-N 1 2 346.471 2.027 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)OCCc2ccccc2)C1 ZINC001108373223 803388039 /nfs/dbraw/zinc/38/80/39/803388039.db2.gz RCHKMHXNTPDJEW-YLJYHZDGSA-N 1 2 346.471 2.027 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H](OC)C3CCCC3)c2C1 ZINC001128570916 803419556 /nfs/dbraw/zinc/41/95/56/803419556.db2.gz CQTKNNBCTKYWIM-SFHVURJKSA-N 1 2 346.475 2.096 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H](OC)C3CCCC3)c2C1 ZINC001128570916 803419561 /nfs/dbraw/zinc/41/95/61/803419561.db2.gz CQTKNNBCTKYWIM-SFHVURJKSA-N 1 2 346.475 2.096 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2ccc(CC)cc2)C1 ZINC001108393226 803441879 /nfs/dbraw/zinc/44/18/79/803441879.db2.gz MDPIPWVMLQWRKV-OAQYLSRUSA-N 1 2 342.483 2.412 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCc2ccc(CC)cc2)C1 ZINC001108393226 803441885 /nfs/dbraw/zinc/44/18/85/803441885.db2.gz MDPIPWVMLQWRKV-OAQYLSRUSA-N 1 2 342.483 2.412 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)COc2cc(C)cc(C)c2)C1 ZINC001108393648 803443649 /nfs/dbraw/zinc/44/36/49/803443649.db2.gz WZBFHKKCHRZRNM-IBGZPJMESA-N 1 2 332.444 2.075 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)COc2cc(C)cc(C)c2)C1 ZINC001108393648 803443650 /nfs/dbraw/zinc/44/36/50/803443650.db2.gz WZBFHKKCHRZRNM-IBGZPJMESA-N 1 2 332.444 2.075 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@](C)(CC)CCC)CC2=O)C1 ZINC001108582673 804201119 /nfs/dbraw/zinc/20/11/19/804201119.db2.gz BMUYVBWAPZZYBS-DNVCBOLYSA-N 1 2 335.492 2.180 20 30 EEEDLO C[C@@H](CNc1cccc(F)c1C#N)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001108587949 804245150 /nfs/dbraw/zinc/24/51/50/804245150.db2.gz AESPHVMYIDJFJF-STQMWFEESA-N 1 2 341.390 2.073 20 30 EEEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)C[C@H](C)C(C)(C)C)CC2=O)C1 ZINC001108588624 804245995 /nfs/dbraw/zinc/24/59/95/804245995.db2.gz HUNIEZRIXUDZRL-GJZGRUSLSA-N 1 2 335.492 2.036 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C(CC(C)C)CC(C)C)CC2=O)C1 ZINC001108591986 804262680 /nfs/dbraw/zinc/26/26/80/804262680.db2.gz KBZSUHQNTGGDPN-KRWDZBQOSA-N 1 2 349.519 2.282 20 30 EEEDLO Cc1cc(N(C)C[C@@H](C)NC(=O)CSCC#N)nc(C(C)C)[nH+]1 ZINC001108869508 804628313 /nfs/dbraw/zinc/62/83/13/804628313.db2.gz QSDBCFJLKCSZLC-CYBMUJFWSA-N 1 2 335.477 2.106 20 30 EEEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1 ZINC001109046751 804861867 /nfs/dbraw/zinc/86/18/67/804861867.db2.gz YOKRUHCNGGJKHP-IKGGRYGDSA-N 1 2 327.428 2.313 20 30 EEEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1 ZINC001109046751 804861875 /nfs/dbraw/zinc/86/18/75/804861875.db2.gz YOKRUHCNGGJKHP-IKGGRYGDSA-N 1 2 327.428 2.313 20 30 EEEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)c1ccco1 ZINC001109054983 804893161 /nfs/dbraw/zinc/89/31/61/804893161.db2.gz IXUROWAIAPOBLA-FZKCQIBNSA-N 1 2 345.443 2.145 20 30 EEEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)c1ccco1 ZINC001109054983 804893170 /nfs/dbraw/zinc/89/31/70/804893170.db2.gz IXUROWAIAPOBLA-FZKCQIBNSA-N 1 2 345.443 2.145 20 30 EEEDLO Cc1nc(N(C)C[C@@H](C)NC(=O)c2cccc3[nH+]ccn32)ccc1C#N ZINC001109151776 805025752 /nfs/dbraw/zinc/02/57/52/805025752.db2.gz NWPNVABJRGLQLK-CYBMUJFWSA-N 1 2 348.410 2.164 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](C)CN(C)c1cc[nH+]c(C)n1 ZINC001109268139 805215524 /nfs/dbraw/zinc/21/55/24/805215524.db2.gz QLTSPZCCTDHYHG-QRTARXTBSA-N 1 2 332.448 2.097 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CCC(CN(CC)c2cc[nH+]c(C)n2)CC1 ZINC001112684479 807021817 /nfs/dbraw/zinc/02/18/17/807021817.db2.gz RFVIBRDZMQAAMQ-OAHLLOKOSA-N 1 2 346.475 2.441 20 30 EEEDLO C=CCOCCCC(=O)N1CC[NH+](Cc2ccc(C)nc2C)CC1 ZINC001112754261 807151540 /nfs/dbraw/zinc/15/15/40/807151540.db2.gz VGEDJXOEBCVYEJ-UHFFFAOYSA-N 1 2 331.460 2.325 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[NH+](CCOCCC(C)C)CC1 ZINC001112864445 807482091 /nfs/dbraw/zinc/48/20/91/807482091.db2.gz KGPHJQLLLMUDPC-MSOLQXFVSA-N 1 2 338.492 2.175 20 30 EEEDLO C=CCCCC(=O)NC1CC(CNc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001112865584 807484944 /nfs/dbraw/zinc/48/49/44/807484944.db2.gz PMBJKZQGTKLHHC-UHFFFAOYSA-N 1 2 343.475 2.128 20 30 EEEDLO C=CCCCC(=O)NC1CC(CNc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001112865584 807484953 /nfs/dbraw/zinc/48/49/53/807484953.db2.gz PMBJKZQGTKLHHC-UHFFFAOYSA-N 1 2 343.475 2.128 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(Cl)c(Cl)n2C)CC1 ZINC001112922447 807620942 /nfs/dbraw/zinc/62/09/42/807620942.db2.gz ALHFBDFMQMUPPQ-UHFFFAOYSA-N 1 2 346.258 2.292 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cccc([C@H]3CCOC3)c2)CC1 ZINC001113046634 807946122 /nfs/dbraw/zinc/94/61/22/807946122.db2.gz DTPOUGAETPFJAE-IBGZPJMESA-N 1 2 344.455 2.151 20 30 EEEDLO CN(CC(C)(C)CNc1ccc(C#N)cn1)C(=O)CCc1[nH]cc[nH+]1 ZINC001113417936 808928654 /nfs/dbraw/zinc/92/86/54/808928654.db2.gz BCJYDONLALCSLE-UHFFFAOYSA-N 1 2 340.431 2.206 20 30 EEEDLO C=CCC1(C(=O)NC[C@H](C)N(C)c2cc[nH+]c(C)n2)CCOCC1 ZINC001113673865 809509529 /nfs/dbraw/zinc/50/95/29/809509529.db2.gz HLVZZAZIORCBSD-AWEZNQCLSA-N 1 2 332.448 2.099 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C3CCC3)CCC2)[C@@H](O)C1 ZINC001090463716 809843844 /nfs/dbraw/zinc/84/38/44/809843844.db2.gz PDZDKRFJUOCPHK-CABCVRRESA-N 1 2 326.868 2.261 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C3CCC3)CCC2)[C@@H](O)C1 ZINC001090463716 809843850 /nfs/dbraw/zinc/84/38/50/809843850.db2.gz PDZDKRFJUOCPHK-CABCVRRESA-N 1 2 326.868 2.261 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@H](C)N(C)c2cc(C)[nH+]c(C3CC3)n2)c1 ZINC001113877280 810000770 /nfs/dbraw/zinc/00/07/70/810000770.db2.gz LGVURSNLHYDFGV-AWEZNQCLSA-N 1 2 349.438 2.293 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H](C)N(C)c2cc(C)[nH+]c(C3CC3)n2)c1 ZINC001113877281 810000837 /nfs/dbraw/zinc/00/08/37/810000837.db2.gz LGVURSNLHYDFGV-CQSZACIVSA-N 1 2 349.438 2.293 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1CN(c2cc[nH+]c(C)n2)CC[C@@H]1C ZINC001114006772 810182708 /nfs/dbraw/zinc/18/27/08/810182708.db2.gz YTPOBCATYQTVEX-HOCLYGCPSA-N 1 2 332.448 2.099 20 30 EEEDLO CC(C)c1noc([C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)(C)C)n1 ZINC001114246692 810673527 /nfs/dbraw/zinc/67/35/27/810673527.db2.gz XJIIBJCDTYXWOX-TTZDDIAXSA-N 1 2 344.459 2.350 20 30 EEEDLO CC(C)c1noc([C@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C#CC(C)(C)C)n1 ZINC001114246692 810673531 /nfs/dbraw/zinc/67/35/31/810673531.db2.gz XJIIBJCDTYXWOX-TTZDDIAXSA-N 1 2 344.459 2.350 20 30 EEEDLO CCCC[C@@H](CNc1snc(C)c1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001114274838 810731145 /nfs/dbraw/zinc/73/11/45/810731145.db2.gz REDWXNROIHHCRX-LBPRGKRZSA-N 1 2 346.460 2.376 20 30 EEEDLO CCCCCCCCOCC(=O)NCC[NH2+]Cc1csnn1 ZINC001129522868 810890661 /nfs/dbraw/zinc/89/06/61/810890661.db2.gz NUDPPLZNTNXPFP-UHFFFAOYSA-N 1 2 328.482 2.121 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2cccs2)[C@H](O)C1 ZINC001090489056 811885185 /nfs/dbraw/zinc/88/51/85/811885185.db2.gz HYFAYPMWUWQXEA-QWHCGFSZSA-N 1 2 342.892 2.330 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2cccs2)[C@H](O)C1 ZINC001090489056 811885189 /nfs/dbraw/zinc/88/51/89/811885189.db2.gz HYFAYPMWUWQXEA-QWHCGFSZSA-N 1 2 342.892 2.330 20 30 EEEDLO C=CCc1cc(OCC)cc(C[N@@H+]2CCOC[C@@H]2CC(=O)OC)c1O ZINC000808213584 812519595 /nfs/dbraw/zinc/51/95/95/812519595.db2.gz RXQJANQHYRQBIU-INIZCTEOSA-N 1 2 349.427 2.283 20 30 EEEDLO C=CCc1cc(OCC)cc(C[N@H+]2CCOC[C@@H]2CC(=O)OC)c1O ZINC000808213584 812519603 /nfs/dbraw/zinc/51/96/03/812519603.db2.gz RXQJANQHYRQBIU-INIZCTEOSA-N 1 2 349.427 2.283 20 30 EEEDLO CC(F)(F)CC(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001438137316 1090660382 /nfs/dbraw/zinc/66/03/82/1090660382.db2.gz ZEOAOVDNFAVVIJ-UHFFFAOYSA-N 1 2 325.334 2.291 20 30 EEEDLO CCc1n[nH]cc1C(=O)N(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001438888217 1091532687 /nfs/dbraw/zinc/53/26/87/1091532687.db2.gz NMNJFWBVERAKHT-UHFFFAOYSA-N 1 2 343.406 2.187 20 30 EEEDLO CCc1n[nH]cc1C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001438888217 1091532692 /nfs/dbraw/zinc/53/26/92/1091532692.db2.gz NMNJFWBVERAKHT-UHFFFAOYSA-N 1 2 343.406 2.187 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(COC)CC1 ZINC001440722207 1093966125 /nfs/dbraw/zinc/96/61/25/1093966125.db2.gz KTWRDGPKMWSXKE-ZDUSSCGKSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1(COC)CC1 ZINC001440722207 1093966129 /nfs/dbraw/zinc/96/61/29/1093966129.db2.gz KTWRDGPKMWSXKE-ZDUSSCGKSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc2c(c1)N(C)CCO2 ZINC001440939791 1094191730 /nfs/dbraw/zinc/19/17/30/1094191730.db2.gz XQJFZZGHMCMDBA-CYBMUJFWSA-N 1 2 337.851 2.318 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc2c(c1)N(C)CCO2 ZINC001440939791 1094191731 /nfs/dbraw/zinc/19/17/31/1094191731.db2.gz XQJFZZGHMCMDBA-CYBMUJFWSA-N 1 2 337.851 2.318 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1n[nH]c2ccccc21)C1CC1 ZINC001493449333 1108175117 /nfs/dbraw/zinc/17/51/17/1108175117.db2.gz KUQHZWUNTSCIDZ-UHFFFAOYSA-N 1 2 332.835 2.439 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1n[nH]c2ccccc21)C1CC1 ZINC001493449333 1108175121 /nfs/dbraw/zinc/17/51/21/1108175121.db2.gz KUQHZWUNTSCIDZ-UHFFFAOYSA-N 1 2 332.835 2.439 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)c2nc(C(C)C)oc2C)C1 ZINC001500677208 1113018899 /nfs/dbraw/zinc/01/88/99/1113018899.db2.gz FLSWJWNNKXMLCK-MRXNPFEDSA-N 1 2 341.839 2.026 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)c2nc(C(C)C)oc2C)C1 ZINC001500677208 1113018901 /nfs/dbraw/zinc/01/89/01/1113018901.db2.gz FLSWJWNNKXMLCK-MRXNPFEDSA-N 1 2 341.839 2.026 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cn(-c2ccccc2)nn1 ZINC001505952839 1114297364 /nfs/dbraw/zinc/29/73/64/1114297364.db2.gz IWFSSAFEUZMINX-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cn(-c2ccccc2)nn1 ZINC001505952839 1114297366 /nfs/dbraw/zinc/29/73/66/1114297366.db2.gz IWFSSAFEUZMINX-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C#CCC(C)(C)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC(C)C ZINC001517018885 1119021109 /nfs/dbraw/zinc/02/11/09/1119021109.db2.gz APKPVZLLJIHALZ-UHFFFAOYSA-N 1 2 347.507 2.003 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCCC[C@H]1CC ZINC001520360546 1119149588 /nfs/dbraw/zinc/14/95/88/1119149588.db2.gz IDXRRKSLUSBNCK-QGZVFWFLSA-N 1 2 347.507 2.437 20 30 EEEDLO N#Cc1ccsc1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000052028582 214112629 /nfs/dbraw/zinc/11/26/29/214112629.db2.gz QRBHJOMBVNIQDP-UHFFFAOYSA-N 1 2 333.457 2.385 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCc4ccc(F)cc4C3)C2=O)cc1 ZINC000135062723 283152225 /nfs/dbraw/zinc/15/22/25/283152225.db2.gz SYXWLCNJCDWEAL-GOSISDBHSA-N 1 2 349.365 2.388 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CCc4ccc(F)cc4C3)C2=O)cc1 ZINC000135062723 283152227 /nfs/dbraw/zinc/15/22/27/283152227.db2.gz SYXWLCNJCDWEAL-GOSISDBHSA-N 1 2 349.365 2.388 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCc2nc(CC(C)C)no2)cc1OC ZINC000112968720 237161059 /nfs/dbraw/zinc/16/10/59/237161059.db2.gz CNMJKTMVEFITSW-UHFFFAOYSA-N 1 2 334.376 2.122 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCC2CCC3(CC2)OCCO3)cs1 ZINC000192186167 237298143 /nfs/dbraw/zinc/29/81/43/237298143.db2.gz MQUAVUMNQDXBJL-UHFFFAOYSA-N 1 2 325.434 2.216 20 30 EEEDLO Cc1cc(N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)cc(C#N)n1 ZINC000418941512 239377937 /nfs/dbraw/zinc/37/79/37/239377937.db2.gz IIOZUVWRJOBPGD-GOSISDBHSA-N 1 2 330.432 2.162 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCN(CC)C(=O)C1(C)C ZINC000426107521 241218690 /nfs/dbraw/zinc/21/86/90/241218690.db2.gz YZXHHSPQHSNWKI-QGZVFWFLSA-N 1 2 346.471 2.098 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCN(CC)C(=O)C1(C)C ZINC000426107521 241218695 /nfs/dbraw/zinc/21/86/95/241218695.db2.gz YZXHHSPQHSNWKI-QGZVFWFLSA-N 1 2 346.471 2.098 20 30 EEEDLO C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000491373950 246010991 /nfs/dbraw/zinc/01/09/91/246010991.db2.gz PFBADLJCRXKSNV-CYBMUJFWSA-N 1 2 338.411 2.181 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(OC)c(C#N)c2)n1 ZINC000491453052 246035694 /nfs/dbraw/zinc/03/56/94/246035694.db2.gz PBDZCOCTRHINMZ-UHFFFAOYSA-N 1 2 338.411 2.045 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(OC)c(C#N)c2)n1 ZINC000491453052 246035699 /nfs/dbraw/zinc/03/56/99/246035699.db2.gz PBDZCOCTRHINMZ-UHFFFAOYSA-N 1 2 338.411 2.045 20 30 EEEDLO C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000265178422 247274165 /nfs/dbraw/zinc/27/41/65/247274165.db2.gz IKIWSUWEKLOGRX-MNOVXSKESA-N 1 2 328.338 2.493 20 30 EEEDLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268657457 252110567 /nfs/dbraw/zinc/11/05/67/252110567.db2.gz LEUZTRKTFMSGDA-RTBURBONSA-N 1 2 336.391 2.364 20 30 EEEDLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268657457 252110569 /nfs/dbraw/zinc/11/05/69/252110569.db2.gz LEUZTRKTFMSGDA-RTBURBONSA-N 1 2 336.391 2.364 20 30 EEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](O)C1 ZINC000108355899 533153492 /nfs/dbraw/zinc/15/34/92/533153492.db2.gz VZIXFJXBMZQLHQ-KBPBESRZSA-N 1 2 333.457 2.334 20 30 EEEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](O)C1 ZINC000108355899 533153500 /nfs/dbraw/zinc/15/35/00/533153500.db2.gz VZIXFJXBMZQLHQ-KBPBESRZSA-N 1 2 333.457 2.334 20 30 EEEDLO C#C[C@H](CC)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000491656662 533304024 /nfs/dbraw/zinc/30/40/24/533304024.db2.gz JLZMZGNJPBBLBZ-QZTJIDSGSA-N 1 2 329.444 2.079 20 30 EEEDLO CC[C@@H](C(=O)OC)N1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000352723442 162261518 /nfs/dbraw/zinc/26/15/18/162261518.db2.gz IXBZQAQFJCMECS-INIZCTEOSA-N 1 2 335.835 2.281 20 30 EEEDLO Cc1cc(C(=O)N(C)Cc2[nH+]ccn2C)nn1-c1cccc(C#N)c1 ZINC000355326272 163147446 /nfs/dbraw/zinc/14/74/46/163147446.db2.gz UZPYNRFCEVDOJR-UHFFFAOYSA-N 1 2 334.383 2.058 20 30 EEEDLO COc1ccc(C[NH+]2CCN(C(=O)NC(C)(C)C)CC2)cc1C#N ZINC000360293162 164276940 /nfs/dbraw/zinc/27/69/40/164276940.db2.gz JBFDJPMINVJDLX-UHFFFAOYSA-N 1 2 330.432 2.193 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H]3CC4(CCC4)C(=O)O3)CCO2)c1 ZINC000375458725 167139381 /nfs/dbraw/zinc/13/93/81/167139381.db2.gz QVAUCINJCZYSRW-DLBZAZTESA-N 1 2 326.396 2.417 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H]3CC4(CCC4)C(=O)O3)CCO2)c1 ZINC000375458725 167139382 /nfs/dbraw/zinc/13/93/82/167139382.db2.gz QVAUCINJCZYSRW-DLBZAZTESA-N 1 2 326.396 2.417 20 30 EEEDLO CC[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2OC)C[C@H](C)[S@@]1=O ZINC000285817091 266379592 /nfs/dbraw/zinc/37/95/92/266379592.db2.gz GPHMPCXXCVIRGP-OWOHRZCZSA-N 1 2 336.457 2.177 20 30 EEEDLO CC[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2OC)C[C@H](C)[S@@]1=O ZINC000285817091 266379596 /nfs/dbraw/zinc/37/95/96/266379596.db2.gz GPHMPCXXCVIRGP-OWOHRZCZSA-N 1 2 336.457 2.177 20 30 EEEDLO CC(C)[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1nc(C2CC2)no1 ZINC000520812939 266940935 /nfs/dbraw/zinc/94/09/35/266940935.db2.gz JQWZBJWAOSQGHR-CQSZACIVSA-N 1 2 337.387 2.348 20 30 EEEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000451924518 267259244 /nfs/dbraw/zinc/25/92/44/267259244.db2.gz DCVJAQBZNOMPOW-JTQLQIEISA-N 1 2 338.820 2.468 20 30 EEEDLO C[C@H]([C@H](C)Nc1cc(C(F)(F)F)cnc1C#N)[NH+]1CCOCC1 ZINC000413131452 267856226 /nfs/dbraw/zinc/85/62/26/267856226.db2.gz ZOMHXKLGUXMHLX-WDEREUQCSA-N 1 2 328.338 2.493 20 30 EEEDLO Cc1cccc2[nH+]c(CNS(=O)(=O)c3ccc(C#N)c(F)c3)cn21 ZINC000489247468 268059512 /nfs/dbraw/zinc/05/95/12/268059512.db2.gz GAEVCTKAAJDBCK-UHFFFAOYSA-N 1 2 344.371 2.132 20 30 EEEDLO N#Cc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1F ZINC000289791407 268144070 /nfs/dbraw/zinc/14/40/70/268144070.db2.gz NFMSUMOIINURQZ-OAHLLOKOSA-N 1 2 332.379 2.026 20 30 EEEDLO N#Cc1ccnc(NCc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000286220026 268298397 /nfs/dbraw/zinc/29/83/97/268298397.db2.gz LGYASGBVYFUSBU-UHFFFAOYSA-N 1 2 338.411 2.276 20 30 EEEDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cncc(C#N)c3)c2C1 ZINC000290457086 275209076 /nfs/dbraw/zinc/20/90/76/275209076.db2.gz DXOVOYLJYJEDRM-UHFFFAOYSA-N 1 2 342.424 2.480 20 30 EEEDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cncc(C#N)c3)c2C1 ZINC000290457086 275209077 /nfs/dbraw/zinc/20/90/77/275209077.db2.gz DXOVOYLJYJEDRM-UHFFFAOYSA-N 1 2 342.424 2.480 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncccn3)[C@@H]2CC)cc1 ZINC001087681590 782058943 /nfs/dbraw/zinc/05/89/43/782058943.db2.gz FEMDSGNGYRQNMI-ZWKOTPCHSA-N 1 2 334.423 2.241 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncccn3)[C@@H]2CC)cc1 ZINC001087681590 782058952 /nfs/dbraw/zinc/05/89/52/782058952.db2.gz FEMDSGNGYRQNMI-ZWKOTPCHSA-N 1 2 334.423 2.241 20 30 EEEDLO N#Cc1ccc([C@@H]([NH2+][C@@H]2COc3ccc(Cl)cc32)C(N)=O)cc1 ZINC000353853390 294943621 /nfs/dbraw/zinc/94/36/21/294943621.db2.gz SGZIHGUWGKHPDB-GDBMZVCRSA-N 1 2 327.771 2.461 20 30 EEEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000548351549 318380174 /nfs/dbraw/zinc/38/01/74/318380174.db2.gz LYRPOQIIYOLKON-QGZVFWFLSA-N 1 2 347.846 2.063 20 30 EEEDLO N#Cc1cnn2cc(C[N@@H+]3CCO[C@H](CCc4ccccc4)C3)cnc12 ZINC000564987196 319135741 /nfs/dbraw/zinc/13/57/41/319135741.db2.gz ZTJDYWZXEXVPGC-LJQANCHMSA-N 1 2 347.422 2.435 20 30 EEEDLO N#Cc1cnn2cc(C[N@H+]3CCO[C@H](CCc4ccccc4)C3)cnc12 ZINC000564987196 319135742 /nfs/dbraw/zinc/13/57/42/319135742.db2.gz ZTJDYWZXEXVPGC-LJQANCHMSA-N 1 2 347.422 2.435 20 30 EEEDLO Cc1csc(NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)c1C#N ZINC000565162860 319154779 /nfs/dbraw/zinc/15/47/79/319154779.db2.gz NSLINPVDEGRGDN-UHFFFAOYSA-N 1 2 344.444 2.011 20 30 EEEDLO COc1ccc([C@H](CNc2cnccc2C#N)[NH+]2CCOCC2)cc1 ZINC000339047378 465049576 /nfs/dbraw/zinc/04/95/76/465049576.db2.gz ZICCOVKUVLKVBK-IBGZPJMESA-N 1 2 338.411 2.447 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000296256535 465132202 /nfs/dbraw/zinc/13/22/02/465132202.db2.gz FYVCIMDTGUOUGF-GDBMZVCRSA-N 1 2 325.412 2.374 20 30 EEEDLO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000328902172 465162446 /nfs/dbraw/zinc/16/24/46/465162446.db2.gz GHIYGQNFMPWYLK-TZMCWYRMSA-N 1 2 334.420 2.298 20 30 EEEDLO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000328902172 465162449 /nfs/dbraw/zinc/16/24/49/465162449.db2.gz GHIYGQNFMPWYLK-TZMCWYRMSA-N 1 2 334.420 2.298 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(C(=O)OCC)c(C)[nH]2)n1 ZINC000296802103 465234266 /nfs/dbraw/zinc/23/42/66/465234266.db2.gz MQUOZGZNCHLCOZ-UHFFFAOYSA-N 1 2 328.416 2.352 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(C(=O)OCC)c(C)[nH]2)n1 ZINC000296802103 465234271 /nfs/dbraw/zinc/23/42/71/465234271.db2.gz MQUOZGZNCHLCOZ-UHFFFAOYSA-N 1 2 328.416 2.352 20 30 EEEDLO C=C(C)CN(CC)C(=O)C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000297799810 465270529 /nfs/dbraw/zinc/27/05/29/465270529.db2.gz IXJIKFOGCPUCDN-UHFFFAOYSA-N 1 2 334.464 2.109 20 30 EEEDLO COCC1(C#N)CC[NH+](Cc2csc(-c3ncccn3)n2)CC1 ZINC000341975019 465279256 /nfs/dbraw/zinc/27/92/56/465279256.db2.gz IWUYAVATWXDBMS-UHFFFAOYSA-N 1 2 329.429 2.352 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cccc3c2OCC(=O)N3)C1 ZINC000329495312 465353654 /nfs/dbraw/zinc/35/36/54/465353654.db2.gz FPRAXRQNUOBKOO-NSHDSACASA-N 1 2 341.371 2.436 20 30 EEEDLO Cc1[nH+]c2ccccn2c1Cn1cc(Br)cc(C#N)c1=O ZINC000351793339 465366091 /nfs/dbraw/zinc/36/60/91/465366091.db2.gz WUJMNXOASBXHRH-UHFFFAOYSA-N 1 2 343.184 2.487 20 30 EEEDLO CCn1nccc1C1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329592110 465379917 /nfs/dbraw/zinc/37/99/17/465379917.db2.gz BWWFPQXAIZQHFP-CQSZACIVSA-N 1 2 342.447 2.277 20 30 EEEDLO CCn1nccc1C1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329592110 465379923 /nfs/dbraw/zinc/37/99/23/465379923.db2.gz BWWFPQXAIZQHFP-CQSZACIVSA-N 1 2 342.447 2.277 20 30 EEEDLO Cc1c[nH+]ccc1NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000496515629 468299827 /nfs/dbraw/zinc/29/98/27/468299827.db2.gz AVIHRZDIBSNOQM-CQSZACIVSA-N 1 2 332.404 2.338 20 30 EEEDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1C[C@@]12CCOC2 ZINC000329654953 465399015 /nfs/dbraw/zinc/39/90/15/465399015.db2.gz LXLAOHILFVJMEF-ZIFCJYIRSA-N 1 2 330.428 2.271 20 30 EEEDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1C[C@@]12CCOC2 ZINC000329654953 465399020 /nfs/dbraw/zinc/39/90/20/465399020.db2.gz LXLAOHILFVJMEF-ZIFCJYIRSA-N 1 2 330.428 2.271 20 30 EEEDLO C=CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)Cc1cccc(C#N)c1 ZINC000063300814 462639293 /nfs/dbraw/zinc/63/92/93/462639293.db2.gz ONNLCLGSYDZYKO-UHFFFAOYSA-N 1 2 328.416 2.171 20 30 EEEDLO C=CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)Cc1cccc(C#N)c1 ZINC000063300814 462639297 /nfs/dbraw/zinc/63/92/97/462639297.db2.gz ONNLCLGSYDZYKO-UHFFFAOYSA-N 1 2 328.416 2.171 20 30 EEEDLO Cc1cccn2cc(CNS(=O)(=O)Cc3cccc(C#N)c3)[nH+]c12 ZINC000128794946 462671750 /nfs/dbraw/zinc/67/17/50/462671750.db2.gz FMDDGWBXQZQLNZ-UHFFFAOYSA-N 1 2 340.408 2.134 20 30 EEEDLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046527011 462686767 /nfs/dbraw/zinc/68/67/67/462686767.db2.gz RSFURTLGUCXZMA-FQEVSTJZSA-N 1 2 349.434 2.307 20 30 EEEDLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046527011 462686769 /nfs/dbraw/zinc/68/67/69/462686769.db2.gz RSFURTLGUCXZMA-FQEVSTJZSA-N 1 2 349.434 2.307 20 30 EEEDLO CC[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@H](C)[S@@]1=O ZINC000552178418 468314370 /nfs/dbraw/zinc/31/43/70/468314370.db2.gz HJBDURWYCZTLRV-KDGBHJTFSA-N 1 2 339.486 2.180 20 30 EEEDLO CC[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@H](C)[S@@]1=O ZINC000552178418 468314375 /nfs/dbraw/zinc/31/43/75/468314375.db2.gz HJBDURWYCZTLRV-KDGBHJTFSA-N 1 2 339.486 2.180 20 30 EEEDLO CCOc1cc(C[NH2+][C@@H](CC)CC#N)nc2nc(C(F)(F)F)nn21 ZINC000568289689 468316988 /nfs/dbraw/zinc/31/69/88/468316988.db2.gz NODLCTKXWQADRE-VIFPVBQESA-N 1 2 342.325 2.324 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCc3n[nH]cc3C2)cc1 ZINC000091078199 462830748 /nfs/dbraw/zinc/83/07/48/462830748.db2.gz JTZJTHJSHCEBHH-OAHLLOKOSA-N 1 2 337.427 2.412 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCc3n[nH]cc3C2)cc1 ZINC000091078199 462830752 /nfs/dbraw/zinc/83/07/52/462830752.db2.gz JTZJTHJSHCEBHH-OAHLLOKOSA-N 1 2 337.427 2.412 20 30 EEEDLO C=CC[N@@H+](CCOc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066561006 462902993 /nfs/dbraw/zinc/90/29/93/462902993.db2.gz GTWNWOHMHGZKDD-CQSZACIVSA-N 1 2 329.849 2.394 20 30 EEEDLO C=CC[N@H+](CCOc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066561006 462902999 /nfs/dbraw/zinc/90/29/99/462902999.db2.gz GTWNWOHMHGZKDD-CQSZACIVSA-N 1 2 329.849 2.394 20 30 EEEDLO C#CCOc1cccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000119898473 462939196 /nfs/dbraw/zinc/93/91/96/462939196.db2.gz AZTHIGAJQJWWFL-INIZCTEOSA-N 1 2 336.395 2.494 20 30 EEEDLO CC(C)[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1nc(-c2nc[nH]n2)no1 ZINC000120860689 463047442 /nfs/dbraw/zinc/04/74/42/463047442.db2.gz SNJHROIXSJVVRV-ZDUSSCGKSA-N 1 2 341.350 2.352 20 30 EEEDLO C#CCCOc1ccc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000157054679 463092567 /nfs/dbraw/zinc/09/25/67/463092567.db2.gz FULRBDVLKXRFAJ-KRWDZBQOSA-N 1 2 333.453 2.240 20 30 EEEDLO C#CCCOc1ccc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000157054679 463092570 /nfs/dbraw/zinc/09/25/70/463092570.db2.gz FULRBDVLKXRFAJ-KRWDZBQOSA-N 1 2 333.453 2.240 20 30 EEEDLO N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000068238263 463109277 /nfs/dbraw/zinc/10/92/77/463109277.db2.gz JAJNSIPIEGHKHD-SFHVURJKSA-N 1 2 345.406 2.357 20 30 EEEDLO COc1ccc(C[N@H+](C)CC(=O)NC2(C#N)CCCCC2)cc1O ZINC000080963161 463374528 /nfs/dbraw/zinc/37/45/28/463374528.db2.gz GVTULBDBKZVFNZ-UHFFFAOYSA-N 1 2 331.416 2.175 20 30 EEEDLO COc1ccc(C[N@@H+](C)CC(=O)NC2(C#N)CCCCC2)cc1O ZINC000080963161 463374531 /nfs/dbraw/zinc/37/45/31/463374531.db2.gz GVTULBDBKZVFNZ-UHFFFAOYSA-N 1 2 331.416 2.175 20 30 EEEDLO O=C(C#Cc1ccccc1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000081121837 463397540 /nfs/dbraw/zinc/39/75/40/463397540.db2.gz NOTKQYBAKOBXON-UHFFFAOYSA-N 1 2 344.418 2.030 20 30 EEEDLO O=C(NCc1cc(Cl)cc2c1OCC2)N1CCn2cc[nH+]c2C1 ZINC000329771316 465430327 /nfs/dbraw/zinc/43/03/27/465430327.db2.gz GTGMLVDEBMSLNE-UHFFFAOYSA-N 1 2 332.791 2.401 20 30 EEEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H]1COc2ccccc2O1 ZINC000042979055 463610432 /nfs/dbraw/zinc/61/04/32/463610432.db2.gz KMAUJZBVPLCJNT-OAHLLOKOSA-N 1 2 343.427 2.101 20 30 EEEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H]1COc2ccccc2O1 ZINC000042979055 463610436 /nfs/dbraw/zinc/61/04/36/463610436.db2.gz KMAUJZBVPLCJNT-OAHLLOKOSA-N 1 2 343.427 2.101 20 30 EEEDLO CN(Cc1cccc(C#N)c1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000073659257 463641036 /nfs/dbraw/zinc/64/10/36/463641036.db2.gz HYIYARKLEDSYRB-UHFFFAOYSA-N 1 2 337.427 2.475 20 30 EEEDLO CC#CCCCC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000185142460 463761420 /nfs/dbraw/zinc/76/14/20/463761420.db2.gz SELJBWIOJKVENS-UHFFFAOYSA-N 1 2 341.455 2.399 20 30 EEEDLO C#CCOc1ccccc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000286992901 463765531 /nfs/dbraw/zinc/76/55/31/463765531.db2.gz CRLQAYABDMUXRJ-HOTGVXAUSA-N 1 2 343.427 2.026 20 30 EEEDLO C#CCOc1ccccc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000286992906 463765982 /nfs/dbraw/zinc/76/59/82/463765982.db2.gz CRLQAYABDMUXRJ-HZPDHXFCSA-N 1 2 343.427 2.026 20 30 EEEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000268679192 463787725 /nfs/dbraw/zinc/78/77/25/463787725.db2.gz MBINSFJYOFPAHI-JXFKEZNVSA-N 1 2 336.439 2.365 20 30 EEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC(CC#N)CC1 ZINC000541972367 468383539 /nfs/dbraw/zinc/38/35/39/468383539.db2.gz AMTPVNYKWQOBSV-UHFFFAOYSA-N 1 2 343.431 2.384 20 30 EEEDLO C#CC[NH+]1CCC(c2nc(Cc3n[nH]c(-c4ccccc4)n3)no2)CC1 ZINC000277794184 463932351 /nfs/dbraw/zinc/93/23/51/463932351.db2.gz GAUZMUCPBHRNEB-UHFFFAOYSA-N 1 2 348.410 2.258 20 30 EEEDLO C#CC[NH+]1CCC(c2nc(Cc3nnc(-c4ccccc4)[nH]3)no2)CC1 ZINC000277794184 463932357 /nfs/dbraw/zinc/93/23/57/463932357.db2.gz GAUZMUCPBHRNEB-UHFFFAOYSA-N 1 2 348.410 2.258 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(OCC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000278445944 463965010 /nfs/dbraw/zinc/96/50/10/463965010.db2.gz MJYSTGBJHHRIGJ-CQSZACIVSA-N 1 2 327.421 2.400 20 30 EEEDLO C=CC[N@H+](Cc1ccc(OCC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000278445944 463965012 /nfs/dbraw/zinc/96/50/12/463965012.db2.gz MJYSTGBJHHRIGJ-CQSZACIVSA-N 1 2 327.421 2.400 20 30 EEEDLO CCN(CC)C(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000186514870 464015631 /nfs/dbraw/zinc/01/56/31/464015631.db2.gz MHYJNDSJXAEODB-UHFFFAOYSA-N 1 2 348.878 2.198 20 30 EEEDLO N#Cc1ccc(CC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000172407352 464074565 /nfs/dbraw/zinc/07/45/65/464074565.db2.gz UENJJMIKUAJXLP-UHFFFAOYSA-N 1 2 335.407 2.151 20 30 EEEDLO CC(C)(C)c1ccc(CCNC(=O)CO[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000284584908 464251882 /nfs/dbraw/zinc/25/18/82/464251882.db2.gz XNWKGWQRGPRBAL-MRXNPFEDSA-N 1 2 347.459 2.111 20 30 EEEDLO NC(=[NH+]OCc1cncc(F)c1)c1ccc(N2CCCCC2)nc1 ZINC000280912110 464272967 /nfs/dbraw/zinc/27/29/67/464272967.db2.gz GQCHQFVHFXBQSI-UHFFFAOYSA-N 1 2 329.379 2.443 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(F)c(F)c2)C1=O ZINC000281232988 464379814 /nfs/dbraw/zinc/37/98/14/464379814.db2.gz FNDRSQZNKAFAGT-IAQYHMDHSA-N 1 2 337.370 2.011 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(F)c(F)c2)C1=O ZINC000281232988 464379821 /nfs/dbraw/zinc/37/98/21/464379821.db2.gz FNDRSQZNKAFAGT-IAQYHMDHSA-N 1 2 337.370 2.011 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(OCC)cc2)C1=O ZINC000281271592 464394380 /nfs/dbraw/zinc/39/43/80/464394380.db2.gz IAKIVFWOSUAFNY-YOEHRIQHSA-N 1 2 345.443 2.131 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(OCC)cc2)C1=O ZINC000281271592 464394384 /nfs/dbraw/zinc/39/43/84/464394384.db2.gz IAKIVFWOSUAFNY-YOEHRIQHSA-N 1 2 345.443 2.131 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000284929760 464396595 /nfs/dbraw/zinc/39/65/95/464396595.db2.gz YFGDZZGFSFFUAB-AZUAARDMSA-N 1 2 341.499 2.434 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000284929760 464396600 /nfs/dbraw/zinc/39/66/00/464396600.db2.gz YFGDZZGFSFFUAB-AZUAARDMSA-N 1 2 341.499 2.434 20 30 EEEDLO C[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271873797 464396907 /nfs/dbraw/zinc/39/69/07/464396907.db2.gz OTOBJIAHOBYVRS-YJBOKZPZSA-N 1 2 327.428 2.018 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc3c(cc2SC)OCCO3)C1=O ZINC000281319737 464411823 /nfs/dbraw/zinc/41/18/23/464411823.db2.gz RCILMDJCEMYYKO-AWEZNQCLSA-N 1 2 348.468 2.398 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc3c(cc2SC)OCCO3)C1=O ZINC000281319737 464411828 /nfs/dbraw/zinc/41/18/28/464411828.db2.gz RCILMDJCEMYYKO-AWEZNQCLSA-N 1 2 348.468 2.398 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C)cc2C)C1=O ZINC000281407988 464443017 /nfs/dbraw/zinc/44/30/17/464443017.db2.gz QZWFQKUDYGNSQD-DOTOQJQBSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(C)cc2C)C1=O ZINC000281407988 464443023 /nfs/dbraw/zinc/44/30/23/464443023.db2.gz QZWFQKUDYGNSQD-DOTOQJQBSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1=O ZINC000281418811 464447427 /nfs/dbraw/zinc/44/74/27/464447427.db2.gz ROBCCAAXENUYAW-HOTGVXAUSA-N 1 2 347.846 2.164 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1=O ZINC000281418811 464447432 /nfs/dbraw/zinc/44/74/32/464447432.db2.gz ROBCCAAXENUYAW-HOTGVXAUSA-N 1 2 347.846 2.164 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C)cc2Cl)C1=O ZINC000281439190 464454803 /nfs/dbraw/zinc/45/48/03/464454803.db2.gz TVISNYDPJWNACX-HNNXBMFYSA-N 1 2 335.835 2.306 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C)cc2Cl)C1=O ZINC000281439190 464454810 /nfs/dbraw/zinc/45/48/10/464454810.db2.gz TVISNYDPJWNACX-HNNXBMFYSA-N 1 2 335.835 2.306 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000343102427 465475892 /nfs/dbraw/zinc/47/58/92/465475892.db2.gz UFTGEZXGIQDVIB-AWEZNQCLSA-N 1 2 349.500 2.083 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000343102427 465475896 /nfs/dbraw/zinc/47/58/96/465475896.db2.gz UFTGEZXGIQDVIB-AWEZNQCLSA-N 1 2 349.500 2.083 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NCc2ccccc2Cl)C1=O ZINC000281509883 464484137 /nfs/dbraw/zinc/48/41/37/464484137.db2.gz YSCKMIIXJYUKAL-CJNGLKHVSA-N 1 2 349.862 2.063 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NCc2ccccc2Cl)C1=O ZINC000281509883 464484145 /nfs/dbraw/zinc/48/41/45/464484145.db2.gz YSCKMIIXJYUKAL-CJNGLKHVSA-N 1 2 349.862 2.063 20 30 EEEDLO CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H](O)C(F)(F)F ZINC000189437990 464505590 /nfs/dbraw/zinc/50/55/90/464505590.db2.gz LYHOAPHQRNPGKZ-GFCCVEGCSA-N 1 2 349.740 2.395 20 30 EEEDLO CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H](O)C(F)(F)F ZINC000189437990 464505597 /nfs/dbraw/zinc/50/55/97/464505597.db2.gz LYHOAPHQRNPGKZ-GFCCVEGCSA-N 1 2 349.740 2.395 20 30 EEEDLO CCC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOCC1 ZINC000272198789 464515914 /nfs/dbraw/zinc/51/59/14/464515914.db2.gz LYWIQMGEQCDPSP-UHFFFAOYSA-N 1 2 341.455 2.409 20 30 EEEDLO CC(C)OCCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000182149839 464584756 /nfs/dbraw/zinc/58/47/56/464584756.db2.gz GLHDODWQUFPSKH-UHFFFAOYSA-N 1 2 328.416 2.071 20 30 EEEDLO CC(C)[C@H](C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000265602345 464614303 /nfs/dbraw/zinc/61/43/03/464614303.db2.gz VHHHRFCPFAXYRG-PBHICJAKSA-N 1 2 332.423 2.001 20 30 EEEDLO COc1cc(C[NH+]2CCN(c3nc(C)ns3)CC2)ccc1C#N ZINC000282159641 464719048 /nfs/dbraw/zinc/71/90/48/464719048.db2.gz DGIWGDKMAGEIMV-UHFFFAOYSA-N 1 2 329.429 2.049 20 30 EEEDLO CCOc1ccc(C[NH+]2CCN(C(=O)NC[C@H](C)C#N)CC2)cc1 ZINC000182832804 464737327 /nfs/dbraw/zinc/73/73/27/464737327.db2.gz JRUJBPWBHPVGGB-OAHLLOKOSA-N 1 2 330.432 2.072 20 30 EEEDLO Cc1cc(N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)nc(C(C)C)n1 ZINC000191195455 464794992 /nfs/dbraw/zinc/79/49/92/464794992.db2.gz DOSQQEAGWKQMRD-UHFFFAOYSA-N 1 2 338.459 2.441 20 30 EEEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)C1 ZINC000266815755 464831295 /nfs/dbraw/zinc/83/12/95/464831295.db2.gz GXNOHYWUIHXXBH-RYUDHWBXSA-N 1 2 328.199 2.005 20 30 EEEDLO C[N@H+]1CCO[C@H](C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)C1 ZINC000266815755 464831301 /nfs/dbraw/zinc/83/13/01/464831301.db2.gz GXNOHYWUIHXXBH-RYUDHWBXSA-N 1 2 328.199 2.005 20 30 EEEDLO CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000191957976 464835195 /nfs/dbraw/zinc/83/51/95/464835195.db2.gz JHADVWZJDMMHKI-OAHLLOKOSA-N 1 2 330.432 2.196 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295516128 464866006 /nfs/dbraw/zinc/86/60/06/464866006.db2.gz IEICBHVUDXVJQK-XJKSGUPXSA-N 1 2 344.415 2.048 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295516128 464866009 /nfs/dbraw/zinc/86/60/09/464866009.db2.gz IEICBHVUDXVJQK-XJKSGUPXSA-N 1 2 344.415 2.048 20 30 EEEDLO CCOC(=O)[C@H]1CCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192766644 464993202 /nfs/dbraw/zinc/99/32/02/464993202.db2.gz CAXUQEGCQNOOBJ-IAGOWNOFSA-N 1 2 341.411 2.081 20 30 EEEDLO CCOC(=O)[C@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192766644 464993208 /nfs/dbraw/zinc/99/32/08/464993208.db2.gz CAXUQEGCQNOOBJ-IAGOWNOFSA-N 1 2 341.411 2.081 20 30 EEEDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccnc(C2CC2)c1 ZINC000329443259 465335797 /nfs/dbraw/zinc/33/57/97/465335797.db2.gz KMBYIGFXOQODQD-SFHVURJKSA-N 1 2 347.484 2.472 20 30 EEEDLO C[C@@H](C#N)CN(C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000339579262 465361705 /nfs/dbraw/zinc/36/17/05/465361705.db2.gz BERQEMWTILJHGH-WFASDCNBSA-N 1 2 329.379 2.450 20 30 EEEDLO Cc1cc(N2CC[C@H](NC(=O)NC3CC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000329573751 465376329 /nfs/dbraw/zinc/37/63/29/465376329.db2.gz NMSWMTXGWPNWSA-HNNXBMFYSA-N 1 2 338.415 2.092 20 30 EEEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@@H]4CCC[C@H]4C3)CC2)cn1 ZINC000329688333 465406175 /nfs/dbraw/zinc/40/61/75/465406175.db2.gz CBLORKDMOOJUBM-OKZBNKHCSA-N 1 2 345.491 2.421 20 30 EEEDLO Cc1oc2ccccc2c1CNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329817561 465442438 /nfs/dbraw/zinc/44/24/38/465442438.db2.gz WTHHZAHQRNVUMY-RDJZCZTQSA-N 1 2 329.400 2.170 20 30 EEEDLO Cc1oc2ccccc2c1CNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329817561 465442446 /nfs/dbraw/zinc/44/24/46/465442446.db2.gz WTHHZAHQRNVUMY-RDJZCZTQSA-N 1 2 329.400 2.170 20 30 EEEDLO C=CCNC(=O)c1ccc(NCc2cccc(Cn3cc[nH+]c3)c2)nc1 ZINC000352768525 465553809 /nfs/dbraw/zinc/55/38/09/465553809.db2.gz IINUZYIZQYEVID-UHFFFAOYSA-N 1 2 347.422 2.854 20 30 EEEDLO O=C(N[C@@H]1CCN(c2ccccc2F)C1)N1CCn2cc[nH+]c2C1 ZINC000330206267 465568846 /nfs/dbraw/zinc/56/88/46/465568846.db2.gz DCTUJGSTSQSORR-CYBMUJFWSA-N 1 2 329.379 2.031 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1SCCc2ccccc21 ZINC000330206095 465569222 /nfs/dbraw/zinc/56/92/22/465569222.db2.gz DXJZKXWRLHUCGO-RHSMWYFYSA-N 1 2 349.500 2.241 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)NC1CCOCC1)Cc1cnn(C(C)C)c1 ZINC000352943892 465570500 /nfs/dbraw/zinc/57/05/00/465570500.db2.gz GPGRCQGERVIKJE-UHFFFAOYSA-N 1 2 334.464 2.137 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)NC1CCOCC1)Cc1cnn(C(C)C)c1 ZINC000352943892 465570505 /nfs/dbraw/zinc/57/05/05/465570505.db2.gz GPGRCQGERVIKJE-UHFFFAOYSA-N 1 2 334.464 2.137 20 30 EEEDLO Cn1cc[nH+]c1[C@H](Nc1nccc(C#N)c1Cl)C1CCOCC1 ZINC000344087716 465583679 /nfs/dbraw/zinc/58/36/79/465583679.db2.gz RLSCHUVYHZLPGW-CQSZACIVSA-N 1 2 331.807 2.920 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@@H+](CCC1CCCCC1)CC(N)=O ZINC000337816510 465601634 /nfs/dbraw/zinc/60/16/34/465601634.db2.gz QZLZVHIAOZKXDI-UHFFFAOYSA-N 1 2 348.472 2.316 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@H+](CCC1CCCCC1)CC(N)=O ZINC000337816510 465601640 /nfs/dbraw/zinc/60/16/40/465601640.db2.gz QZLZVHIAOZKXDI-UHFFFAOYSA-N 1 2 348.472 2.316 20 30 EEEDLO CC(C)(C)C(=O)N1CCC[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330297165 465602955 /nfs/dbraw/zinc/60/29/55/465602955.db2.gz GSZJQVYVSFWYJG-UONOGXRCSA-N 1 2 332.448 2.439 20 30 EEEDLO CC[C@@](C)(C#N)C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000353061690 465610859 /nfs/dbraw/zinc/61/08/59/465610859.db2.gz IRLKWTKXKSTXRV-IBGZPJMESA-N 1 2 345.443 2.118 20 30 EEEDLO CC[C@@](C)(C#N)C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000353061690 465610864 /nfs/dbraw/zinc/61/08/64/465610864.db2.gz IRLKWTKXKSTXRV-IBGZPJMESA-N 1 2 345.443 2.118 20 30 EEEDLO CC[C@H](NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)c1nccs1 ZINC000330328326 465614111 /nfs/dbraw/zinc/61/41/11/465614111.db2.gz LPMSSPWUXUCBET-STQMWFEESA-N 1 2 348.476 2.230 20 30 EEEDLO COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N)cc1OC ZINC000299167041 465633333 /nfs/dbraw/zinc/63/33/33/465633333.db2.gz PFURSWPVMRUXQW-ZIAGYGMSSA-N 1 2 333.432 2.142 20 30 EEEDLO COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N)cc1OC ZINC000299167041 465633342 /nfs/dbraw/zinc/63/33/42/465633342.db2.gz PFURSWPVMRUXQW-ZIAGYGMSSA-N 1 2 333.432 2.142 20 30 EEEDLO Cc1ccccc1N1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000345729151 465896191 /nfs/dbraw/zinc/89/61/91/465896191.db2.gz XQLKOTDOSVLGKT-INIZCTEOSA-N 1 2 326.444 2.068 20 30 EEEDLO Cc1nc(C)n(C[C@@H]2C[N@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)n1 ZINC000331716976 466213111 /nfs/dbraw/zinc/21/31/11/466213111.db2.gz IFYLTENYYZXWTK-UGSOOPFHSA-N 1 2 325.416 2.229 20 30 EEEDLO Cc1nc(C)n(C[C@@H]2C[N@@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)n1 ZINC000331716976 466213114 /nfs/dbraw/zinc/21/31/14/466213114.db2.gz IFYLTENYYZXWTK-UGSOOPFHSA-N 1 2 325.416 2.229 20 30 EEEDLO COc1ccc(C[N@H+](C)Cc2cn(C)nn2)cc1OCCCC#N ZINC000597209771 468480527 /nfs/dbraw/zinc/48/05/27/468480527.db2.gz JBOGJWNOYQIHID-UHFFFAOYSA-N 1 2 329.404 2.138 20 30 EEEDLO COc1ccc(C[N@@H+](C)Cc2cn(C)nn2)cc1OCCCC#N ZINC000597209771 468480531 /nfs/dbraw/zinc/48/05/31/468480531.db2.gz JBOGJWNOYQIHID-UHFFFAOYSA-N 1 2 329.404 2.138 20 30 EEEDLO C=CCNC(=O)Cc1noc([C@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000346957179 466280483 /nfs/dbraw/zinc/28/04/83/466280483.db2.gz GIEGHWLUIQIYPE-HNNXBMFYSA-N 1 2 334.807 2.219 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCc2cc(C#N)ccc2F)C1 ZINC000372307942 466293233 /nfs/dbraw/zinc/29/32/33/466293233.db2.gz NUONYDMLACSFIX-CYBMUJFWSA-N 1 2 327.363 2.130 20 30 EEEDLO C=CCc1cc(CNC(=O)NCc2c[nH+]cn2C)cc(OC)c1OC ZINC000358123341 466475858 /nfs/dbraw/zinc/47/58/58/466475858.db2.gz VGWPKTMKJQRWSM-UHFFFAOYSA-N 1 2 344.415 2.165 20 30 EEEDLO COc1ccc2c(c1OC)CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000340993208 466495575 /nfs/dbraw/zinc/49/55/75/466495575.db2.gz XEHFVJCJJAJWLH-LJQANCHMSA-N 1 2 345.443 2.116 20 30 EEEDLO COc1ccc2c(c1OC)CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000340993208 466495579 /nfs/dbraw/zinc/49/55/79/466495579.db2.gz XEHFVJCJJAJWLH-LJQANCHMSA-N 1 2 345.443 2.116 20 30 EEEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(OCCO)CC1 ZINC000312231374 466530382 /nfs/dbraw/zinc/53/03/82/466530382.db2.gz ALSPQZDBYVVDNJ-UHFFFAOYSA-N 1 2 339.233 2.294 20 30 EEEDLO CO[C@H]1CCCN(c2cc(C)[nH+]c(N3CCC[C@H](OC)C3)c2C#N)C1 ZINC000408524504 466678853 /nfs/dbraw/zinc/67/88/53/466678853.db2.gz VERQWZYOHWUQDJ-HOTGVXAUSA-N 1 2 344.459 2.492 20 30 EEEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411491132 466835318 /nfs/dbraw/zinc/83/53/18/466835318.db2.gz NPTXWKKMSIYZJM-GDBMZVCRSA-N 1 2 331.416 2.043 20 30 EEEDLO O=C([C@H]1CCCO1)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000365882211 466976221 /nfs/dbraw/zinc/97/62/21/466976221.db2.gz NYJACWQQHLVILK-GOSISDBHSA-N 1 2 346.858 2.405 20 30 EEEDLO O=C([C@H]1CCCO1)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000365882211 466976226 /nfs/dbraw/zinc/97/62/26/466976226.db2.gz NYJACWQQHLVILK-GOSISDBHSA-N 1 2 346.858 2.405 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC000412065123 466991703 /nfs/dbraw/zinc/99/17/03/466991703.db2.gz KGYHSFLFIYBAAW-YJBOKZPZSA-N 1 2 330.384 2.047 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC000412065123 466991711 /nfs/dbraw/zinc/99/17/11/466991711.db2.gz KGYHSFLFIYBAAW-YJBOKZPZSA-N 1 2 330.384 2.047 20 30 EEEDLO Cc1cc(N[C@@H]2CCN(CCCc3ccccc3)C2=O)c(C#N)c[nH+]1 ZINC000425222664 467089208 /nfs/dbraw/zinc/08/92/08/467089208.db2.gz ATJXETMHPFXLNS-GOSISDBHSA-N 1 2 334.423 2.329 20 30 EEEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000426067708 467139088 /nfs/dbraw/zinc/13/90/88/467139088.db2.gz ULCXGVNZQRCFEF-CYBMUJFWSA-N 1 2 326.404 2.448 20 30 EEEDLO CCc1nc(C[N@@H+]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)cs1 ZINC000377954113 467170837 /nfs/dbraw/zinc/17/08/37/467170837.db2.gz WQBJKMVOEOYLNY-UHFFFAOYSA-N 1 2 343.456 2.253 20 30 EEEDLO CCc1nc(C[N@H+]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)cs1 ZINC000377954113 467170840 /nfs/dbraw/zinc/17/08/40/467170840.db2.gz WQBJKMVOEOYLNY-UHFFFAOYSA-N 1 2 343.456 2.253 20 30 EEEDLO N#CC1(CNC(=O)N2CC[NH+](CCOc3ccccc3)CC2)CCC1 ZINC000419652545 467229675 /nfs/dbraw/zinc/22/96/75/467229675.db2.gz USOOTFFVLDOLGK-UHFFFAOYSA-N 1 2 342.443 2.086 20 30 EEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000413984510 467355978 /nfs/dbraw/zinc/35/59/78/467355978.db2.gz IVCOFJCFWDXSQZ-AEFFLSMTSA-N 1 2 326.444 2.326 20 30 EEEDLO Cc1ccccc1-c1nnc(SC[C@H](O)C[N@H+](C)CCC#N)n1C ZINC000414099941 467377433 /nfs/dbraw/zinc/37/74/33/467377433.db2.gz RCCJEOBQNYWRJT-CQSZACIVSA-N 1 2 345.472 2.089 20 30 EEEDLO Cc1ccccc1-c1nnc(SC[C@H](O)C[N@@H+](C)CCC#N)n1C ZINC000414099941 467377435 /nfs/dbraw/zinc/37/74/35/467377435.db2.gz RCCJEOBQNYWRJT-CQSZACIVSA-N 1 2 345.472 2.089 20 30 EEEDLO C[C@H]1C[C@]1(C#N)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000448588993 467594736 /nfs/dbraw/zinc/59/47/36/467594736.db2.gz YGOLJBZIAMMVSB-KBXCAEBGSA-N 1 2 347.846 2.413 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000448589499 467594808 /nfs/dbraw/zinc/59/48/08/467594808.db2.gz JNDZUOFTIVLXQD-WBVHZDCISA-N 1 2 348.418 2.070 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000527299103 467658788 /nfs/dbraw/zinc/65/87/88/467658788.db2.gz STVKHFCAVCAMKT-AEFFLSMTSA-N 1 2 341.455 2.271 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000527299103 467658793 /nfs/dbraw/zinc/65/87/93/467658793.db2.gz STVKHFCAVCAMKT-AEFFLSMTSA-N 1 2 341.455 2.271 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000457972311 467743335 /nfs/dbraw/zinc/74/33/35/467743335.db2.gz FSYXJDLLKFDIMN-CQSZACIVSA-N 1 2 332.379 2.138 20 30 EEEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000505739877 467940092 /nfs/dbraw/zinc/94/00/92/467940092.db2.gz MGUGRGDCQYNNNX-CQSZACIVSA-N 1 2 332.404 2.145 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000516774191 468045911 /nfs/dbraw/zinc/04/59/11/468045911.db2.gz IHZPGQVTWKMGOI-INIZCTEOSA-N 1 2 331.807 2.099 20 30 EEEDLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000488348778 468082568 /nfs/dbraw/zinc/08/25/68/468082568.db2.gz OFZAUZXQQCONQP-RHSMWYFYSA-N 1 2 330.432 2.029 20 30 EEEDLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000488348778 468082570 /nfs/dbraw/zinc/08/25/70/468082570.db2.gz OFZAUZXQQCONQP-RHSMWYFYSA-N 1 2 330.432 2.029 20 30 EEEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cnn1-c1cccc(C)c1 ZINC000577639847 468188267 /nfs/dbraw/zinc/18/82/67/468188267.db2.gz UTXKVXAGDXZNBA-GOSISDBHSA-N 1 2 325.416 2.063 20 30 EEEDLO COc1ccc(C[N@H+](C)Cc2cnc3c(C#N)cnn3c2)c(OC)c1 ZINC000592497307 468711712 /nfs/dbraw/zinc/71/17/12/468711712.db2.gz YXEQOZUKOQPCBC-UHFFFAOYSA-N 1 2 337.383 2.250 20 30 EEEDLO COc1ccc(C[N@@H+](C)Cc2cnc3c(C#N)cnn3c2)c(OC)c1 ZINC000592497307 468711716 /nfs/dbraw/zinc/71/17/16/468711716.db2.gz YXEQOZUKOQPCBC-UHFFFAOYSA-N 1 2 337.383 2.250 20 30 EEEDLO COc1cc(Br)c(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1O ZINC000592522580 468719570 /nfs/dbraw/zinc/71/95/70/468719570.db2.gz OZNWNTMLDNRVOM-AWEZNQCLSA-N 1 2 341.205 2.014 20 30 EEEDLO COc1cc(Br)c(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1O ZINC000592522580 468719573 /nfs/dbraw/zinc/71/95/73/468719573.db2.gz OZNWNTMLDNRVOM-AWEZNQCLSA-N 1 2 341.205 2.014 20 30 EEEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000571329921 468773404 /nfs/dbraw/zinc/77/34/04/468773404.db2.gz CPZBKWSZBFWJLC-OAHLLOKOSA-N 1 2 326.400 2.381 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 ZINC000593154240 468888293 /nfs/dbraw/zinc/88/82/93/468888293.db2.gz CHQYMIGQQZKPHJ-IBGZPJMESA-N 1 2 344.459 2.036 20 30 EEEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000598593133 468926085 /nfs/dbraw/zinc/92/60/85/468926085.db2.gz QPFCZJXZFAPTML-MRXNPFEDSA-N 1 2 349.862 2.285 20 30 EEEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000598593133 468926089 /nfs/dbraw/zinc/92/60/89/468926089.db2.gz QPFCZJXZFAPTML-MRXNPFEDSA-N 1 2 349.862 2.285 20 30 EEEDLO COc1ccc(C[N@H+](CC2(CC#N)CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000602758845 469055515 /nfs/dbraw/zinc/05/55/15/469055515.db2.gz IKEFXDPWFXVRGX-MRXNPFEDSA-N 1 2 348.468 2.378 20 30 EEEDLO COc1ccc(C[N@@H+](CC2(CC#N)CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000602758845 469055520 /nfs/dbraw/zinc/05/55/20/469055520.db2.gz IKEFXDPWFXVRGX-MRXNPFEDSA-N 1 2 348.468 2.378 20 30 EEEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1-c1ccccc1Cl ZINC000573095086 469059140 /nfs/dbraw/zinc/05/91/40/469059140.db2.gz WNMRCEKHBHEGRR-KRWDZBQOSA-N 1 2 345.834 2.408 20 30 EEEDLO N#CCc1ccnc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000610791406 469073938 /nfs/dbraw/zinc/07/39/38/469073938.db2.gz XCTDYDMSUJUBJQ-UHFFFAOYSA-N 1 2 336.395 2.232 20 30 EEEDLO N#CCC1(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000602832708 469105056 /nfs/dbraw/zinc/10/50/56/469105056.db2.gz QHNBYRAAELAUDU-UHFFFAOYSA-N 1 2 328.372 2.046 20 30 EEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1c(F)cccc1Br ZINC000601962457 469115458 /nfs/dbraw/zinc/11/54/58/469115458.db2.gz FGTSZSKXWHKWRK-SNVBAGLBSA-N 1 2 331.185 2.173 20 30 EEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1c(F)cccc1Br ZINC000601962457 469115461 /nfs/dbraw/zinc/11/54/61/469115461.db2.gz FGTSZSKXWHKWRK-SNVBAGLBSA-N 1 2 331.185 2.173 20 30 EEEDLO C[C@H](CC#N)[NH2+]CC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000602860411 469126381 /nfs/dbraw/zinc/12/63/81/469126381.db2.gz CWVXNZWTLQGCGW-LLVKDONJSA-N 1 2 329.322 2.092 20 30 EEEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N)c1 ZINC000602864732 469128457 /nfs/dbraw/zinc/12/84/57/469128457.db2.gz VGIUSAXOMPIRPI-ZIAGYGMSSA-N 1 2 330.432 2.387 20 30 EEEDLO N#Cc1ccc(CNC(=O)C2CC[NH+](CC(F)F)CC2)c(F)c1 ZINC000588351040 469140668 /nfs/dbraw/zinc/14/06/68/469140668.db2.gz NMZRRGSXWWFACP-UHFFFAOYSA-N 1 2 325.334 2.291 20 30 EEEDLO N#Cc1c2c(cnc1NC[C@@H]1C[N@H+](Cc3ccncc3)CCO1)CCC2 ZINC000599184603 469154833 /nfs/dbraw/zinc/15/48/33/469154833.db2.gz JSIWDQVBKHHMTR-QGZVFWFLSA-N 1 2 349.438 2.150 20 30 EEEDLO N#Cc1c2c(cnc1NC[C@@H]1C[N@@H+](Cc3ccncc3)CCO1)CCC2 ZINC000599184603 469154838 /nfs/dbraw/zinc/15/48/38/469154838.db2.gz JSIWDQVBKHHMTR-QGZVFWFLSA-N 1 2 349.438 2.150 20 30 EEEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000593845903 469161161 /nfs/dbraw/zinc/16/11/61/469161161.db2.gz OMQZXGOYRQZHMI-UHFFFAOYSA-N 1 2 347.369 2.659 20 30 EEEDLO CCc1nc(C#N)cc(NCc2[nH+]ccn2CCc2ccccc2)n1 ZINC000596154133 469178387 /nfs/dbraw/zinc/17/83/87/469178387.db2.gz DKLHQLAHRGTOCJ-UHFFFAOYSA-N 1 2 332.411 2.962 20 30 EEEDLO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[NH+]2CCN(CCC#N)CC2)cc1 ZINC000611173947 469180984 /nfs/dbraw/zinc/18/09/84/469180984.db2.gz STELSFOHRIKUCN-SJORKVTESA-N 1 2 342.487 2.346 20 30 EEEDLO Cc1ccc(CN(C(=O)C[NH+]2CCN(CCC#N)CC2)C2CC2)cc1 ZINC000611176334 469183130 /nfs/dbraw/zinc/18/31/30/469183130.db2.gz ZXXZCMAHERCIIJ-UHFFFAOYSA-N 1 2 340.471 2.017 20 30 EEEDLO Cc1nc(C2([NH2+]C[C@@H](O)COc3ccccc3C#N)CCCC2)no1 ZINC000599304271 469200180 /nfs/dbraw/zinc/20/01/80/469200180.db2.gz 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ZINC000619716442 469668421 /nfs/dbraw/zinc/66/84/21/469668421.db2.gz FSTQALCDCISHDS-ZDUSSCGKSA-N 1 2 328.206 2.487 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000619716442 469668426 /nfs/dbraw/zinc/66/84/26/469668426.db2.gz FSTQALCDCISHDS-ZDUSSCGKSA-N 1 2 328.206 2.487 20 30 EEEDLO Cc1ccn2cc(CNS(=O)(=O)c3ccc(C#N)cc3F)[nH+]c2c1 ZINC000610083225 469979311 /nfs/dbraw/zinc/97/93/11/469979311.db2.gz OJHZRMWPJWQXHH-UHFFFAOYSA-N 1 2 344.371 2.132 20 30 EEEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000621279479 470023207 /nfs/dbraw/zinc/02/32/07/470023207.db2.gz VHUHHDLEFHUNHZ-KGLIPLIRSA-N 1 2 336.457 2.322 20 30 EEEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000621279479 470023209 /nfs/dbraw/zinc/02/32/09/470023209.db2.gz VHUHHDLEFHUNHZ-KGLIPLIRSA-N 1 2 336.457 2.322 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000645008895 471117413 /nfs/dbraw/zinc/11/74/13/471117413.db2.gz GNYHFYBMCFZQOC-GJZGRUSLSA-N 1 2 327.388 2.039 20 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2.473 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2coc(C)c2)cc1C#N ZINC001038192721 1229683327 /nfs/dbraw/zinc/68/33/27/1229683327.db2.gz ZCXCLGPPUUUVKE-KRWDZBQOSA-N 1 2 339.395 2.473 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnc3[nH]ccc3c2)c1 ZINC001038384178 1229783086 /nfs/dbraw/zinc/78/30/86/1229783086.db2.gz JRHPPGLQYNYGBR-SFHVURJKSA-N 1 2 345.406 2.390 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnc3[nH]ccc3c2)c1 ZINC001038384178 1229783089 /nfs/dbraw/zinc/78/30/89/1229783089.db2.gz JRHPPGLQYNYGBR-SFHVURJKSA-N 1 2 345.406 2.390 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ncc(F)cc2F)cc1 ZINC001038412185 1229797539 /nfs/dbraw/zinc/79/75/39/1229797539.db2.gz SRGUULULYAKWKR-OAHLLOKOSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ncc(F)cc2F)cc1 ZINC001038412185 1229797543 /nfs/dbraw/zinc/79/75/43/1229797543.db2.gz SRGUULULYAKWKR-OAHLLOKOSA-N 1 2 342.349 2.236 20 30 EEEDLO CCCc1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)[nH]n1 ZINC001038571697 1229921921 /nfs/dbraw/zinc/92/19/21/1229921921.db2.gz IWZCZGSNGLMEHC-QGZVFWFLSA-N 1 2 337.427 2.238 20 30 EEEDLO CCCc1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)[nH]n1 ZINC001038571697 1229921922 /nfs/dbraw/zinc/92/19/22/1229921922.db2.gz IWZCZGSNGLMEHC-QGZVFWFLSA-N 1 2 337.427 2.238 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cnc(C3CC3)nc2)cc1 ZINC001038772640 1230040853 /nfs/dbraw/zinc/04/08/53/1230040853.db2.gz BYNSTGGQRYSVKF-GOSISDBHSA-N 1 2 347.422 2.230 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cnc(C3CC3)nc2)cc1 ZINC001038772640 1230040859 /nfs/dbraw/zinc/04/08/59/1230040859.db2.gz BYNSTGGQRYSVKF-GOSISDBHSA-N 1 2 347.422 2.230 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnc(C3CC3)nc2)c1 ZINC001038773197 1230042268 /nfs/dbraw/zinc/04/22/68/1230042268.db2.gz IJVKFCQCUGTMNY-SFHVURJKSA-N 1 2 347.422 2.230 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnc(C3CC3)nc2)c1 ZINC001038773197 1230042275 /nfs/dbraw/zinc/04/22/75/1230042275.db2.gz IJVKFCQCUGTMNY-SFHVURJKSA-N 1 2 347.422 2.230 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccnc1 ZINC001038796014 1230063366 /nfs/dbraw/zinc/06/33/66/1230063366.db2.gz LLNOXLVSNOWQCP-BZSNNMDCSA-N 1 2 329.444 2.143 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccnc1 ZINC001038796014 1230063372 /nfs/dbraw/zinc/06/33/72/1230063372.db2.gz LLNOXLVSNOWQCP-BZSNNMDCSA-N 1 2 329.444 2.143 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2C2CC2)cc1C#N ZINC001038799199 1230065355 /nfs/dbraw/zinc/06/53/55/1230065355.db2.gz JGTONBXQKZYZCY-OKZBNKHCSA-N 1 2 339.439 2.303 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2C2CC2)cc1C#N ZINC001038799199 1230065359 /nfs/dbraw/zinc/06/53/59/1230065359.db2.gz JGTONBXQKZYZCY-OKZBNKHCSA-N 1 2 339.439 2.303 20 30 EEEDLO COc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)o1 ZINC001038842993 1230103675 /nfs/dbraw/zinc/10/36/75/1230103675.db2.gz TVBGAOIDBRJQGY-OAHLLOKOSA-N 1 2 325.368 2.164 20 30 EEEDLO COc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)o1 ZINC001038842993 1230103677 /nfs/dbraw/zinc/10/36/77/1230103677.db2.gz TVBGAOIDBRJQGY-OAHLLOKOSA-N 1 2 325.368 2.164 20 30 EEEDLO C#CCOc1ncccc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccsc1 ZINC001038927711 1230171426 /nfs/dbraw/zinc/17/14/26/1230171426.db2.gz AGJPVJSJJNDNIE-HNNXBMFYSA-N 1 2 341.436 2.159 20 30 EEEDLO C#CCOc1ncccc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccsc1 ZINC001038927711 1230171429 /nfs/dbraw/zinc/17/14/29/1230171429.db2.gz AGJPVJSJJNDNIE-HNNXBMFYSA-N 1 2 341.436 2.159 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C)nc2C)cn1 ZINC001038934215 1230175714 /nfs/dbraw/zinc/17/57/14/1230175714.db2.gz BLQKPLRJCGZSAE-IBGZPJMESA-N 1 2 334.423 2.079 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C)nc2C)cn1 ZINC001038934215 1230175717 /nfs/dbraw/zinc/17/57/17/1230175717.db2.gz BLQKPLRJCGZSAE-IBGZPJMESA-N 1 2 334.423 2.079 20 30 EEEDLO CCc1noc(C)c1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001039006884 1230230701 /nfs/dbraw/zinc/23/07/01/1230230701.db2.gz AUSJZJSJTWNXTQ-MRXNPFEDSA-N 1 2 338.411 2.421 20 30 EEEDLO CCc1noc(C)c1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001039006884 1230230704 /nfs/dbraw/zinc/23/07/04/1230230704.db2.gz AUSJZJSJTWNXTQ-MRXNPFEDSA-N 1 2 338.411 2.421 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)c(C)n1C ZINC001039014107 1230236577 /nfs/dbraw/zinc/23/65/77/1230236577.db2.gz XSYMDEGQSGBEGO-IBGZPJMESA-N 1 2 335.451 2.498 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)c(C)n1C ZINC001039014107 1230236582 /nfs/dbraw/zinc/23/65/82/1230236582.db2.gz XSYMDEGQSGBEGO-IBGZPJMESA-N 1 2 335.451 2.498 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H]2CCCNC2=O)CC1 ZINC001039891091 1230890420 /nfs/dbraw/zinc/89/04/20/1230890420.db2.gz HCRBTDDUEHRKBI-FGTMMUONSA-N 1 2 345.487 2.077 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H]2CCCNC2=O)CC1 ZINC001039891091 1230890423 /nfs/dbraw/zinc/89/04/23/1230890423.db2.gz HCRBTDDUEHRKBI-FGTMMUONSA-N 1 2 345.487 2.077 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+]([C@@H](C)c1nncn1C)C2 ZINC001040322718 1231169667 /nfs/dbraw/zinc/16/96/67/1231169667.db2.gz LNYMTWPCQQNTIW-KXBFYZLASA-N 1 2 345.491 2.403 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+]([C@@H](C)c1nncn1C)C2 ZINC001040322718 1231169670 /nfs/dbraw/zinc/16/96/70/1231169670.db2.gz LNYMTWPCQQNTIW-KXBFYZLASA-N 1 2 345.491 2.403 20 30 EEEDLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)s1 ZINC001041274012 1231491262 /nfs/dbraw/zinc/49/12/62/1231491262.db2.gz SAMVOGUGPLSJGX-SCLBCKFNSA-N 1 2 344.484 2.245 20 30 EEEDLO Cc1nnc([C@H](C)[N@H+]2CC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)s1 ZINC001041274012 1231491266 /nfs/dbraw/zinc/49/12/66/1231491266.db2.gz SAMVOGUGPLSJGX-SCLBCKFNSA-N 1 2 344.484 2.245 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc4n[nH]nc43)C2)C1 ZINC001041318923 1231504903 /nfs/dbraw/zinc/50/49/03/1231504903.db2.gz XFVNPJXGFOXZFP-KRWDZBQOSA-N 1 2 345.834 2.248 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)c3cccc4n[nH]nc43)C2)C1 ZINC001041318923 1231504904 /nfs/dbraw/zinc/50/49/04/1231504904.db2.gz XFVNPJXGFOXZFP-KRWDZBQOSA-N 1 2 345.834 2.248 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc4nn[nH]c43)C2)C1 ZINC001041318923 1231504905 /nfs/dbraw/zinc/50/49/05/1231504905.db2.gz XFVNPJXGFOXZFP-KRWDZBQOSA-N 1 2 345.834 2.248 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)c3cccc4nn[nH]c43)C2)C1 ZINC001041318923 1231504906 /nfs/dbraw/zinc/50/49/06/1231504906.db2.gz XFVNPJXGFOXZFP-KRWDZBQOSA-N 1 2 345.834 2.248 20 30 EEEDLO C[C@@H](CC(=O)N(C)CCCN(C)C(=O)C#CC(C)(C)C)n1cc[nH+]c1 ZINC001067382538 1231846802 /nfs/dbraw/zinc/84/68/02/1231846802.db2.gz QMRKGHJKSXKYGY-INIZCTEOSA-N 1 2 346.475 2.191 20 30 EEEDLO CC(C)c1nnc(C[N@@H+]2CC[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)o1 ZINC001042058743 1231860336 /nfs/dbraw/zinc/86/03/36/1231860336.db2.gz VFRHQUDXUYWXED-JKSUJKDBSA-N 1 2 342.443 2.029 20 30 EEEDLO CC(C)c1nnc(C[N@H+]2CC[C@H]3CCN(C(=O)C#CC4CC4)C[C@H]32)o1 ZINC001042058743 1231860341 /nfs/dbraw/zinc/86/03/41/1231860341.db2.gz VFRHQUDXUYWXED-JKSUJKDBSA-N 1 2 342.443 2.029 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnco3)C[C@@H]21 ZINC001042170679 1231933829 /nfs/dbraw/zinc/93/38/29/1231933829.db2.gz TVTGOIHHQZLJLW-NEPJUHHUSA-N 1 2 340.221 2.120 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cnco3)C[C@@H]21 ZINC001042170679 1231933832 /nfs/dbraw/zinc/93/38/32/1231933832.db2.gz TVTGOIHHQZLJLW-NEPJUHHUSA-N 1 2 340.221 2.120 20 30 EEEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001042638240 1232126897 /nfs/dbraw/zinc/12/68/97/1232126897.db2.gz GALNNBPHIJSQOJ-LLVKDONJSA-N 1 2 341.242 2.226 20 30 EEEDLO CN(C(=O)[C@H]1CC[C@H](F)C1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001043666405 1232529470 /nfs/dbraw/zinc/52/94/70/1232529470.db2.gz FOIUOBJPQGEQDX-HOTGVXAUSA-N 1 2 345.418 2.370 20 30 EEEDLO C=CC(C)(C)C(=O)NCCCN(c1[nH+]cnc2c1cnn2C)C1CC1 ZINC001096065201 1234323449 /nfs/dbraw/zinc/32/34/49/1234323449.db2.gz OCJHXNDNLHRKBM-UHFFFAOYSA-N 1 2 342.447 2.051 20 30 EEEDLO C[C@]1(NC(=O)c2ccccn2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046100752 1234438659 /nfs/dbraw/zinc/43/86/59/1234438659.db2.gz MTTHAZRXNOJZHY-IBGZPJMESA-N 1 2 338.386 2.487 20 30 EEEDLO C[C@]1(NC(=O)c2ccccn2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001046100752 1234438661 /nfs/dbraw/zinc/43/86/61/1234438661.db2.gz MTTHAZRXNOJZHY-IBGZPJMESA-N 1 2 338.386 2.487 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(C)on2)C1 ZINC001046374135 1234722336 /nfs/dbraw/zinc/72/23/36/1234722336.db2.gz LTXQOAPRNDBOQJ-SFHVURJKSA-N 1 2 328.416 2.365 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(C)on2)C1 ZINC001046374135 1234722340 /nfs/dbraw/zinc/72/23/40/1234722340.db2.gz LTXQOAPRNDBOQJ-SFHVURJKSA-N 1 2 328.416 2.365 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046624409 1235007486 /nfs/dbraw/zinc/00/74/86/1235007486.db2.gz KFQSKILAQPYMAU-XVGQJIODSA-N 1 2 345.418 2.203 20 30 EEEDLO 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1246554104 /nfs/dbraw/zinc/55/41/04/1246554104.db2.gz FIGXJHIJTCJXAB-AWEZNQCLSA-N 1 2 337.851 2.218 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(C)cncc1C)O2 ZINC001053628849 1246557798 /nfs/dbraw/zinc/55/77/98/1246557798.db2.gz ZOWZAEYUCCDJJZ-MRXNPFEDSA-N 1 2 329.444 2.238 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCc3cc(F)ccc31)O2 ZINC001053631060 1246562164 /nfs/dbraw/zinc/56/21/64/1246562164.db2.gz QJGXCEHZTZHTHL-FUHWJXTLSA-N 1 2 344.430 2.391 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(-c3ccco3)on1)O2 ZINC001053635519 1246568306 /nfs/dbraw/zinc/56/83/06/1246568306.db2.gz FZQDDYUCCKFCCG-ZDUSSCGKSA-N 1 2 343.383 2.084 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cncc3sccc31)O2 ZINC001053649449 1246588434 /nfs/dbraw/zinc/58/84/34/1246588434.db2.gz MOKDOUDCDGTPDI-ZDUSSCGKSA-N 1 2 343.452 2.446 20 30 EEEDLO C=CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001053650136 1246590142 /nfs/dbraw/zinc/59/01/42/1246590142.db2.gz JLQARJIUUKXWAO-MUJYYYPQSA-N 1 2 344.459 2.113 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(F)c(F)cc1F)O2 ZINC001053654824 1246597567 /nfs/dbraw/zinc/59/75/67/1246597567.db2.gz XFWDSJMWTJRSGS-NSHDSACASA-N 1 2 340.345 2.253 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(C)nn(CC)c1C)O2 ZINC001053681930 1246639344 /nfs/dbraw/zinc/63/93/44/1246639344.db2.gz XZQPBABABKFIPG-INIZCTEOSA-N 1 2 346.475 2.059 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3cccnc3s1)O2 ZINC001053688121 1246652722 /nfs/dbraw/zinc/65/27/22/1246652722.db2.gz KISXGOWFXFIDHF-AWEZNQCLSA-N 1 2 343.452 2.446 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CCC(F)(F)C1)CO2 ZINC001053823925 1246848737 /nfs/dbraw/zinc/84/87/37/1246848737.db2.gz TUNWZOZWZWXIOJ-KGLIPLIRSA-N 1 2 328.403 2.348 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3ncccc3s1)CO2 ZINC001053887503 1246969159 /nfs/dbraw/zinc/96/91/59/1246969159.db2.gz MWNMBOMQBRYSBP-CYBMUJFWSA-N 1 2 343.452 2.446 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001057728826 1246973965 /nfs/dbraw/zinc/97/39/65/1246973965.db2.gz SDINZVZRDOWPOL-AWEZNQCLSA-N 1 2 346.479 2.251 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3c(c1)[C@H](C)CO3)CO2 ZINC001053900723 1246986145 /nfs/dbraw/zinc/98/61/45/1246986145.db2.gz SRXYBKGVPRBUHV-GDBMZVCRSA-N 1 2 342.439 2.332 20 30 EEEDLO C[C@@H](c1csnn1)[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052318806 1246994111 /nfs/dbraw/zinc/99/41/11/1246994111.db2.gz MBPFUYCAKWXIRE-AAEUAGOBSA-N 1 2 344.444 2.083 20 30 EEEDLO C[C@@H](c1csnn1)[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052318806 1246994122 /nfs/dbraw/zinc/99/41/22/1246994122.db2.gz MBPFUYCAKWXIRE-AAEUAGOBSA-N 1 2 344.444 2.083 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1cc(F)ccc1F)CO2 ZINC001053910052 1247001102 /nfs/dbraw/zinc/00/11/02/1247001102.db2.gz SBTLQULDNZWBBJ-HNNXBMFYSA-N 1 2 336.382 2.043 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(F)cc(Cl)c1)CO2 ZINC001053936517 1247034066 /nfs/dbraw/zinc/03/40/66/1247034066.db2.gz OEXHVIGUBCHOLK-HNNXBMFYSA-N 1 2 336.794 2.076 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1scnc1C(C)(C)C)CO2 ZINC001053949422 1247054997 /nfs/dbraw/zinc/05/49/97/1247054997.db2.gz HCISBXOEBRKTIW-CYBMUJFWSA-N 1 2 347.484 2.037 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1oc(C(C)C)nc1C)CO2 ZINC001053951575 1247059526 /nfs/dbraw/zinc/05/95/26/1247059526.db2.gz ZNNUUIATWGCGMQ-AWEZNQCLSA-N 1 2 333.432 2.256 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1coc(C3CCCC3)n1)CO2 ZINC001053968945 1247079891 /nfs/dbraw/zinc/07/98/91/1247079891.db2.gz AEUSMZPOEOTNNA-OAHLLOKOSA-N 1 2 345.443 2.481 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)c(F)c(C)c1)CO2 ZINC001054010169 1247144086 /nfs/dbraw/zinc/14/40/86/1247144086.db2.gz MPAPFPQOSFXNAF-MRXNPFEDSA-N 1 2 330.403 2.039 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)c1cccc(OC)c1)CO2 ZINC001054017790 1247155035 /nfs/dbraw/zinc/15/50/35/1247155035.db2.gz LQNLYLNOQLECTI-RDJZCZTQSA-N 1 2 344.455 2.334 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)CO2 ZINC001054021193 1247160250 /nfs/dbraw/zinc/16/02/50/1247160250.db2.gz FNLZJCKLQWQUEL-OKZBNKHCSA-N 1 2 344.430 2.465 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccnn1C(F)F ZINC001054040888 1247198715 /nfs/dbraw/zinc/19/87/15/1247198715.db2.gz FYYAHFXRJVFTMD-HNNXBMFYSA-N 1 2 344.365 2.068 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccnn1C(F)F ZINC001054040888 1247198722 /nfs/dbraw/zinc/19/87/22/1247198722.db2.gz FYYAHFXRJVFTMD-HNNXBMFYSA-N 1 2 344.365 2.068 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ncc(F)cc1F ZINC001054043696 1247212186 /nfs/dbraw/zinc/21/21/86/1247212186.db2.gz GRODOLMIJPXDMY-MRXNPFEDSA-N 1 2 341.361 2.150 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ncc(F)cc1F ZINC001054043696 1247212188 /nfs/dbraw/zinc/21/21/88/1247212188.db2.gz GRODOLMIJPXDMY-MRXNPFEDSA-N 1 2 341.361 2.150 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnc2ccccn12 ZINC001054044657 1247214847 /nfs/dbraw/zinc/21/48/47/1247214847.db2.gz AIJAIDBWCHANKY-GOSISDBHSA-N 1 2 344.418 2.124 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cnc2ccccn12 ZINC001054044657 1247214863 /nfs/dbraw/zinc/21/48/63/1247214863.db2.gz AIJAIDBWCHANKY-GOSISDBHSA-N 1 2 344.418 2.124 20 30 EEEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccnc1OC ZINC001054050748 1247237854 /nfs/dbraw/zinc/23/78/54/1247237854.db2.gz KYGUEVAPMFAFEG-SFHVURJKSA-N 1 2 349.434 2.270 20 30 EEEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccnc1OC ZINC001054050748 1247237859 /nfs/dbraw/zinc/23/78/59/1247237859.db2.gz KYGUEVAPMFAFEG-SFHVURJKSA-N 1 2 349.434 2.270 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc2nccn2c1 ZINC001054057141 1247254742 /nfs/dbraw/zinc/25/47/42/1247254742.db2.gz CTZHVAOUFSHSBE-IBGZPJMESA-N 1 2 344.418 2.124 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc2nccn2c1 ZINC001054057141 1247254748 /nfs/dbraw/zinc/25/47/48/1247254748.db2.gz CTZHVAOUFSHSBE-IBGZPJMESA-N 1 2 344.418 2.124 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001057767770 1247376879 /nfs/dbraw/zinc/37/68/79/1247376879.db2.gz KNNOJRPHJJMNMJ-VYDXJSESSA-N 1 2 330.432 2.169 20 30 EEEDLO C=CCC1(C(=O)NC[C@@H](C)Nc2nc(N(C)C)nc(C)[nH+]2)CCCC1 ZINC001097934828 1247960010 /nfs/dbraw/zinc/96/00/10/1247960010.db2.gz JCPJPFQXSVTZAF-CYBMUJFWSA-N 1 2 346.479 2.299 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@H](C)Cc4c[nH]nc43)cc2C1 ZINC001054278355 1247989273 /nfs/dbraw/zinc/98/92/73/1247989273.db2.gz XFNKZLUXSMPQDP-KUHUBIRLSA-N 1 2 348.450 2.341 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@H](C)Cc4c[nH]nc43)cc2C1 ZINC001054278355 1247989294 /nfs/dbraw/zinc/98/92/94/1247989294.db2.gz XFNKZLUXSMPQDP-KUHUBIRLSA-N 1 2 348.450 2.341 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3COc4ccccc43)cc2C1 ZINC001054293191 1248035300 /nfs/dbraw/zinc/03/53/00/1248035300.db2.gz TUNXRKNVKWXUIN-LJQANCHMSA-N 1 2 332.403 2.428 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3COc4ccccc43)cc2C1 ZINC001054293191 1248035310 /nfs/dbraw/zinc/03/53/10/1248035310.db2.gz TUNXRKNVKWXUIN-LJQANCHMSA-N 1 2 332.403 2.428 20 30 EEEDLO C#Cc1ccc(C(=O)NC2CCN(c3nc(C)[nH+]c(C)c3C)CC2)cn1 ZINC001057886238 1248053396 /nfs/dbraw/zinc/05/33/96/1248053396.db2.gz HQYXXLKWYOGMEX-UHFFFAOYSA-N 1 2 349.438 2.177 20 30 EEEDLO C[C@@H]1C[C@H](CNc2cccc(F)c2C#N)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001068376529 1250928868 /nfs/dbraw/zinc/92/88/68/1250928868.db2.gz VZPUTDFAKNANCQ-CHWSQXEVSA-N 1 2 341.390 2.312 20 30 EEEDLO C=CCCC(=O)N1CCC(CC)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001069239541 1252541999 /nfs/dbraw/zinc/54/19/99/1252541999.db2.gz SETLOOKSGYNGJT-HNNXBMFYSA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCCC(=O)N1CCC(CC)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001069239541 1252542003 /nfs/dbraw/zinc/54/20/03/1252542003.db2.gz SETLOOKSGYNGJT-HNNXBMFYSA-N 1 2 346.475 2.442 20 30 EEEDLO CC(C)C[C@@H](C(=O)NC[C@@H](C)Nc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001098107990 1253418685 /nfs/dbraw/zinc/41/86/85/1253418685.db2.gz XJODZGYIAHKDPU-ZBFHGGJFSA-N 1 2 340.431 2.354 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001070675927 1253721693 /nfs/dbraw/zinc/72/16/93/1253721693.db2.gz CBHYCMAUBIUWIW-HUUCEWRRSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001070821411 1253815822 /nfs/dbraw/zinc/81/58/22/1253815822.db2.gz XQFNHMHAEWMPHI-MRXNPFEDSA-N 1 2 346.475 2.390 20 30 EEEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C23CCC(CC2)C3(C)C)CC1 ZINC001071007180 1253894419 /nfs/dbraw/zinc/89/44/19/1253894419.db2.gz IBHRGTJFTVFZCY-UHFFFAOYSA-N 1 2 347.503 2.039 20 30 EEEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C23CCC(CC2)C3(C)C)CC1 ZINC001071007180 1253894435 /nfs/dbraw/zinc/89/44/35/1253894435.db2.gz IBHRGTJFTVFZCY-UHFFFAOYSA-N 1 2 347.503 2.039 20 30 EEEDLO C[C@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C[N@@H+]1Cc1ccc(F)cn1 ZINC001071438509 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/nfs/dbraw/zinc/24/58/98/765245898.db2.gz FTLOMAJPXMHBLH-AWEZNQCLSA-N 1 2 345.491 2.326 20 30 EEEDLO CC(C)C[C@H](CNc1ncccc1C#N)NC(=O)CCc1[nH]cc[nH+]1 ZINC001104941526 765623935 /nfs/dbraw/zinc/62/39/35/765623935.db2.gz CGOLCHLARUCCCU-OAHLLOKOSA-N 1 2 340.431 2.252 20 30 EEEDLO Cc1occc1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031538132 769461730 /nfs/dbraw/zinc/46/17/30/769461730.db2.gz DWKRYNDMOAKBAU-UHFFFAOYSA-N 1 2 327.359 2.461 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)C(C)C ZINC001105258166 769487132 /nfs/dbraw/zinc/48/71/32/769487132.db2.gz FBCGYOZHMFJYAY-UKRRQHHQSA-N 1 2 348.495 2.401 20 30 EEEDLO C=CC[C@H](NC(=O)N[C@H](CC)C[NH+]1CCOCC1)c1ccncc1 ZINC000919013666 769525117 /nfs/dbraw/zinc/52/51/17/769525117.db2.gz FXVPVLBIDIHKPX-SJORKVTESA-N 1 2 332.448 2.109 20 30 EEEDLO Cc1nc(C)c(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)o1 ZINC001031594934 769977815 /nfs/dbraw/zinc/97/78/15/769977815.db2.gz OCCLMHUDRLEKRO-UHFFFAOYSA-N 1 2 342.374 2.164 20 30 EEEDLO CC(C)(C)[C@@H](CNc1ccc(C#N)cn1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001126153130 770075692 /nfs/dbraw/zinc/07/56/92/770075692.db2.gz VQCHLXDHWNVPHU-OAHLLOKOSA-N 1 2 340.431 2.252 20 30 EEEDLO CC(C)(C)[C@@H](CNc1ccc(C#N)cn1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001126153130 770075700 /nfs/dbraw/zinc/07/57/00/770075700.db2.gz VQCHLXDHWNVPHU-OAHLLOKOSA-N 1 2 340.431 2.252 20 30 EEEDLO Cc1ncoc1C(=O)NC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001027809457 770410640 /nfs/dbraw/zinc/41/06/40/770410640.db2.gz VQMBDNBFPIESFO-KRWDZBQOSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1ncoc1C(=O)NC[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001027809457 770410648 /nfs/dbraw/zinc/41/06/48/770410648.db2.gz VQMBDNBFPIESFO-KRWDZBQOSA-N 1 2 341.386 2.368 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)C1=CCOCC1 ZINC001031627095 770436651 /nfs/dbraw/zinc/43/66/51/770436651.db2.gz DADRDLBIBOUKDI-UHFFFAOYSA-N 1 2 344.842 2.086 20 30 EEEDLO Cc1cnccc1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031652898 770647647 /nfs/dbraw/zinc/64/76/47/770647647.db2.gz WTMVDGCTFNHVSO-UHFFFAOYSA-N 1 2 338.386 2.263 20 30 EEEDLO Cc1cc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)cc(C)n1 ZINC001031699284 773404891 /nfs/dbraw/zinc/40/48/91/773404891.db2.gz PGGMJFJNRVTSJP-UHFFFAOYSA-N 1 2 333.435 2.412 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC1(F)F ZINC001027873990 773827664 /nfs/dbraw/zinc/82/76/64/773827664.db2.gz KAGMNVHGVRBEEE-HUUCEWRRSA-N 1 2 337.345 2.433 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC1(F)F ZINC001027873990 773827670 /nfs/dbraw/zinc/82/76/70/773827670.db2.gz KAGMNVHGVRBEEE-HUUCEWRRSA-N 1 2 337.345 2.433 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](NC(=O)C(C)(F)F)CC[C@@H]1C ZINC001131738736 783154836 /nfs/dbraw/zinc/15/48/36/783154836.db2.gz LMFZQDHKVKBFMO-UONOGXRCSA-N 1 2 345.434 2.035 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](NC(=O)C(C)(F)F)CC[C@@H]1C ZINC001131738736 783154840 /nfs/dbraw/zinc/15/48/40/783154840.db2.gz LMFZQDHKVKBFMO-UONOGXRCSA-N 1 2 345.434 2.035 20 30 EEEDLO Cc1cnc(CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000179902664 774329985 /nfs/dbraw/zinc/32/99/85/774329985.db2.gz YDSWJURUMDNYNS-UHFFFAOYSA-N 1 2 346.456 2.121 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H](C)N(CC)c1ncnc2c1C[N@H+](C)CC2 ZINC001089697145 774467000 /nfs/dbraw/zinc/46/70/00/774467000.db2.gz KROCTOQZPGMWCI-OAHLLOKOSA-N 1 2 345.491 2.152 20 30 EEEDLO C=C(C)CCC(=O)NC[C@@H](C)N(CC)c1ncnc2c1C[N@@H+](C)CC2 ZINC001089697145 774467007 /nfs/dbraw/zinc/46/70/07/774467007.db2.gz KROCTOQZPGMWCI-OAHLLOKOSA-N 1 2 345.491 2.152 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCCOC2)C1 ZINC000980419787 774563011 /nfs/dbraw/zinc/56/30/11/774563011.db2.gz XYXHCBHTCJXEFH-KGLIPLIRSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCCOC2)C1 ZINC000980419787 774563014 /nfs/dbraw/zinc/56/30/14/774563014.db2.gz XYXHCBHTCJXEFH-KGLIPLIRSA-N 1 2 345.281 2.244 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ccc2cc[nH]c2n1 ZINC001031746277 774858310 /nfs/dbraw/zinc/85/83/10/774858310.db2.gz LOCNXPNQVSRHGL-UHFFFAOYSA-N 1 2 344.418 2.276 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)c3cncs3)[C@@H]2C1 ZINC001075589690 775193351 /nfs/dbraw/zinc/19/33/51/775193351.db2.gz JBOFMNGCQDEXNL-JKSUJKDBSA-N 1 2 338.436 2.361 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3cncs3)[C@@H]2C1 ZINC001075589690 775193356 /nfs/dbraw/zinc/19/33/56/775193356.db2.gz JBOFMNGCQDEXNL-JKSUJKDBSA-N 1 2 338.436 2.361 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(CC4CC4)no3)C2)C1 ZINC000939103393 775470715 /nfs/dbraw/zinc/47/07/15/775470715.db2.gz RJQYDACILXVVCA-UKRRQHHQSA-N 1 2 344.459 2.315 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N2CCc3ccccc32)cc1 ZINC000060455492 790370540 /nfs/dbraw/zinc/37/05/40/790370540.db2.gz RNFKAOPPLRSVCZ-UHFFFAOYSA-N 1 2 339.395 2.116 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)C[C@H]1OC ZINC001212324721 775762491 /nfs/dbraw/zinc/76/24/91/775762491.db2.gz CGMUEKBCLADQHC-HZPDHXFCSA-N 1 2 347.459 2.008 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@H]1OC ZINC001212324721 775762496 /nfs/dbraw/zinc/76/24/96/775762496.db2.gz CGMUEKBCLADQHC-HZPDHXFCSA-N 1 2 347.459 2.008 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc2ccccc2c1O ZINC001027995668 775810674 /nfs/dbraw/zinc/81/06/74/775810674.db2.gz UIZPCGAHBRSPHU-CYBMUJFWSA-N 1 2 345.830 2.475 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc2ccccc2c1O ZINC001027995668 775810687 /nfs/dbraw/zinc/81/06/87/775810687.db2.gz UIZPCGAHBRSPHU-CYBMUJFWSA-N 1 2 345.830 2.475 20 30 EEEDLO Cc1ncoc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000980907569 776012600 /nfs/dbraw/zinc/01/26/00/776012600.db2.gz WRHAXXAADSEQBP-UHFFFAOYSA-N 1 2 330.413 2.264 20 30 EEEDLO Cc1ncoc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000980907569 776012611 /nfs/dbraw/zinc/01/26/11/776012611.db2.gz WRHAXXAADSEQBP-UHFFFAOYSA-N 1 2 330.413 2.264 20 30 EEEDLO Cc1nc(C(=O)N2CCC[N@H+](Cc3ccc(F)c(C#N)c3)CC2)co1 ZINC000981033765 776374155 /nfs/dbraw/zinc/37/41/55/776374155.db2.gz QFYKCFWGAIEGPX-UHFFFAOYSA-N 1 2 342.374 2.342 20 30 EEEDLO Cc1nc(C(=O)N2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)CC2)co1 ZINC000981033765 776374162 /nfs/dbraw/zinc/37/41/62/776374162.db2.gz QFYKCFWGAIEGPX-UHFFFAOYSA-N 1 2 342.374 2.342 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+]([C@H](C)c2cnccn2)CC1 ZINC000981185629 776735675 /nfs/dbraw/zinc/73/56/75/776735675.db2.gz ALVDZERNNGSUHU-NUJGCVRESA-N 1 2 344.459 2.053 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+]([C@H](C)c2cnccn2)CC1 ZINC000981185629 776735678 /nfs/dbraw/zinc/73/56/78/776735678.db2.gz ALVDZERNNGSUHU-NUJGCVRESA-N 1 2 344.459 2.053 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccnc1-n1cccn1 ZINC001028066435 776960554 /nfs/dbraw/zinc/96/05/54/776960554.db2.gz XZZIEAKLXKINHV-AWEZNQCLSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccnc1-n1cccn1 ZINC001028066435 776960559 /nfs/dbraw/zinc/96/05/59/776960559.db2.gz XZZIEAKLXKINHV-AWEZNQCLSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Br)C[NH2+][C@H]1CCC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC000981315938 777143413 /nfs/dbraw/zinc/14/34/13/777143413.db2.gz SDPVTGYWVCHZAT-UWVGGRQHSA-N 1 2 345.216 2.088 20 30 EEEDLO CO[C@H]1CC[C@@H](C(=O)N2CCC[N@H+](Cc3ccccc3C#N)CC2)C1 ZINC000981500686 777528167 /nfs/dbraw/zinc/52/81/67/777528167.db2.gz YFXWXTQXHLMHCD-APWZRJJASA-N 1 2 341.455 2.408 20 30 EEEDLO CO[C@H]1CC[C@@H](C(=O)N2CCC[N@@H+](Cc3ccccc3C#N)CC2)C1 ZINC000981500686 777528172 /nfs/dbraw/zinc/52/81/72/777528172.db2.gz YFXWXTQXHLMHCD-APWZRJJASA-N 1 2 341.455 2.408 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)[C@H]3C[C@H]3C)C2)C1 ZINC000981601074 777782180 /nfs/dbraw/zinc/78/21/80/777782180.db2.gz XJFVXMAVIJFROV-YPMHNXCESA-N 1 2 327.266 2.475 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[C@H]3C)C2)C1 ZINC000981601074 777782187 /nfs/dbraw/zinc/78/21/87/777782187.db2.gz XJFVXMAVIJFROV-YPMHNXCESA-N 1 2 327.266 2.475 20 30 EEEDLO CC(C)c1noc([C@H](C)[N@@H+]2CCCC3(CN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC000981669244 777947556 /nfs/dbraw/zinc/94/75/56/777947556.db2.gz JOWKQFFKOUHQDE-KGLIPLIRSA-N 1 2 345.447 2.338 20 30 EEEDLO CC(C)c1noc([C@H](C)[N@H+]2CCCC3(CN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC000981669244 777947559 /nfs/dbraw/zinc/94/75/59/777947559.db2.gz JOWKQFFKOUHQDE-KGLIPLIRSA-N 1 2 345.447 2.338 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1)C1CCC1 ZINC000981700969 778038864 /nfs/dbraw/zinc/03/88/64/778038864.db2.gz BFRURNQAVKHKME-QGZVFWFLSA-N 1 2 347.484 2.469 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1)C1CCC1 ZINC000981700969 778038878 /nfs/dbraw/zinc/03/88/78/778038878.db2.gz BFRURNQAVKHKME-QGZVFWFLSA-N 1 2 347.484 2.469 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000981981123 778756606 /nfs/dbraw/zinc/75/66/06/778756606.db2.gz SDHJIWLMLVFAOF-CJNGLKHVSA-N 1 2 333.457 2.079 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000981981123 778756610 /nfs/dbraw/zinc/75/66/10/778756610.db2.gz SDHJIWLMLVFAOF-CJNGLKHVSA-N 1 2 333.457 2.079 20 30 EEEDLO C=CCCC1(C(=O)N(CC)CCNc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001106932738 779207788 /nfs/dbraw/zinc/20/77/88/779207788.db2.gz MSEOMCZWEYLBFW-UHFFFAOYSA-N 1 2 346.479 2.253 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000982238022 779366280 /nfs/dbraw/zinc/36/62/80/779366280.db2.gz QSPKCNGOEPANKG-UHFFFAOYSA-N 1 2 337.427 2.246 20 30 EEEDLO Cc1n[nH]c(C)c1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000982238022 779366291 /nfs/dbraw/zinc/36/62/91/779366291.db2.gz QSPKCNGOEPANKG-UHFFFAOYSA-N 1 2 337.427 2.246 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H](C)CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001077573549 779443636 /nfs/dbraw/zinc/44/36/36/779443636.db2.gz KSQVKTRYEQISMY-HNNXBMFYSA-N 1 2 332.448 2.031 20 30 EEEDLO C=CCC1(C(=O)N[C@@H](C)CCNC(=O)CCn2cc[nH+]c2)CCC1 ZINC001077574154 779614160 /nfs/dbraw/zinc/61/41/60/779614160.db2.gz ZQQOVTTUAUMAQQ-HNNXBMFYSA-N 1 2 332.448 2.031 20 30 EEEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(N[C@@H](CC)CO)[nH+]cn1 ZINC000893829756 780207752 /nfs/dbraw/zinc/20/77/52/780207752.db2.gz ZJOYGPNTLHZLNR-AWEZNQCLSA-N 1 2 346.431 2.327 20 30 EEEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(N[C@@H](CC)CO)nc[nH+]1 ZINC000893829756 780207758 /nfs/dbraw/zinc/20/77/58/780207758.db2.gz ZJOYGPNTLHZLNR-AWEZNQCLSA-N 1 2 346.431 2.327 20 30 EEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000846988590 790796502 /nfs/dbraw/zinc/79/65/02/790796502.db2.gz UFNMUGHJVYEWAN-GJZGRUSLSA-N 1 2 330.432 2.132 20 30 EEEDLO O=C(NC1CN(CC#Cc2ccc(F)cc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001030527890 790829511 /nfs/dbraw/zinc/82/95/11/790829511.db2.gz XNWKBINPOFAUSQ-UHFFFAOYSA-N 1 2 348.381 2.168 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CCC[C@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001098684102 781019602 /nfs/dbraw/zinc/01/96/02/781019602.db2.gz NKQZFLPSCNTMMO-ZBFHGGJFSA-N 1 2 332.448 2.193 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ocnc2C2CC2)C1 ZINC001031973794 781163970 /nfs/dbraw/zinc/16/39/70/781163970.db2.gz QXKHXOXCWWYGPN-UHFFFAOYSA-N 1 2 336.395 2.285 20 30 EEEDLO CCN(CCNc1nc(C)ccc1C#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001106964474 781566441 /nfs/dbraw/zinc/56/64/41/781566441.db2.gz LCNMCOWXAPIDDD-OAHLLOKOSA-N 1 2 340.431 2.370 20 30 EEEDLO Cc1nc(N[C@H](C)CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)ccc1C#N ZINC001098268417 781573132 /nfs/dbraw/zinc/57/31/32/781573132.db2.gz WRXJFWTWPCECJN-BXUZGUMPSA-N 1 2 338.415 2.022 20 30 EEEDLO C=CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cnns2)C1 ZINC001112157248 781583610 /nfs/dbraw/zinc/58/36/10/781583610.db2.gz ZCIGTKUXIOSWLX-VXGBXAGGSA-N 1 2 348.394 2.373 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2nonc2C)C[C@@H]1C ZINC000942130422 781789728 /nfs/dbraw/zinc/78/97/28/781789728.db2.gz NMZZSNLMGXMXSU-ZFWWWQNUSA-N 1 2 343.431 2.006 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2nonc2C)C[C@@H]1C ZINC000942130422 781789730 /nfs/dbraw/zinc/78/97/30/781789730.db2.gz NMZZSNLMGXMXSU-ZFWWWQNUSA-N 1 2 343.431 2.006 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2nonc2C)C[C@@H]1C ZINC000942130418 781789796 /nfs/dbraw/zinc/78/97/96/781789796.db2.gz NMZZSNLMGXMXSU-DZGCQCFKSA-N 1 2 343.431 2.006 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2nonc2C)C[C@@H]1C ZINC000942130418 781789806 /nfs/dbraw/zinc/78/98/06/781789806.db2.gz NMZZSNLMGXMXSU-DZGCQCFKSA-N 1 2 343.431 2.006 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1csc(C)n1 ZINC001087546222 781793695 /nfs/dbraw/zinc/79/36/95/781793695.db2.gz VMYLUAMKUAUWQJ-JKSUJKDBSA-N 1 2 343.456 2.434 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1csc(C)n1 ZINC001087546222 781793705 /nfs/dbraw/zinc/79/37/05/781793705.db2.gz VMYLUAMKUAUWQJ-JKSUJKDBSA-N 1 2 343.456 2.434 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)OCc2ccc(C)cc2)C1 ZINC001108102022 783345517 /nfs/dbraw/zinc/34/55/17/783345517.db2.gz YATPZRSUAWCBMF-FXAWDEMLSA-N 1 2 346.471 2.293 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)OCc2ccc(C)cc2)C1 ZINC001108102022 783345527 /nfs/dbraw/zinc/34/55/27/783345527.db2.gz YATPZRSUAWCBMF-FXAWDEMLSA-N 1 2 346.471 2.293 20 30 EEEDLO CCCCc1noc(C[NH2+][C@H]2CCCCCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001088281299 783352839 /nfs/dbraw/zinc/35/28/39/783352839.db2.gz KOSHJDWJTBWPIY-CABCVRRESA-N 1 2 347.463 2.433 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cccc(-n3cccn3)c2)C1 ZINC001032054198 783438743 /nfs/dbraw/zinc/43/87/43/783438743.db2.gz JTGBNAPOKLLNLD-UHFFFAOYSA-N 1 2 330.819 2.286 20 30 EEEDLO CN(C(=O)c1cnco1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033309880 783497386 /nfs/dbraw/zinc/49/73/86/783497386.db2.gz RFTLZANHDXASDH-CQSZACIVSA-N 1 2 328.347 2.032 20 30 EEEDLO CN(C(=O)c1cnco1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033309880 783497390 /nfs/dbraw/zinc/49/73/90/783497390.db2.gz RFTLZANHDXASDH-CQSZACIVSA-N 1 2 328.347 2.032 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001131947164 783510355 /nfs/dbraw/zinc/51/03/55/783510355.db2.gz QKAZDODKLOOTDD-ZFWWWQNUSA-N 1 2 337.851 2.407 20 30 EEEDLO C=CCOCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001131947164 783510357 /nfs/dbraw/zinc/51/03/57/783510357.db2.gz QKAZDODKLOOTDD-ZFWWWQNUSA-N 1 2 337.851 2.407 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1C[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001091484358 790971521 /nfs/dbraw/zinc/97/15/21/790971521.db2.gz DDGKQEHLTFJQJH-SHTZXODSSA-N 1 2 343.475 2.128 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1C[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001091484358 790971529 /nfs/dbraw/zinc/97/15/29/790971529.db2.gz DDGKQEHLTFJQJH-SHTZXODSSA-N 1 2 343.475 2.128 20 30 EEEDLO C#CCC1(C(=O)NCC[NH2+]Cc2nc(C3CCCC3)no2)CCC1 ZINC001129125339 784102096 /nfs/dbraw/zinc/10/20/96/784102096.db2.gz QIFBCTQXHOJNGB-UHFFFAOYSA-N 1 2 330.432 2.127 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccnc2C(F)F)C1 ZINC001035439678 784529701 /nfs/dbraw/zinc/52/97/01/784529701.db2.gz FEPKTKDBCOJCJZ-GFCCVEGCSA-N 1 2 325.359 2.026 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccnc2C(F)F)C1 ZINC001035439678 784529710 /nfs/dbraw/zinc/52/97/10/784529710.db2.gz FEPKTKDBCOJCJZ-GFCCVEGCSA-N 1 2 325.359 2.026 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn(CC)nc2C(C)C)C1 ZINC001035522400 784665575 /nfs/dbraw/zinc/66/55/75/784665575.db2.gz LBCDHABXAXWRMV-OAHLLOKOSA-N 1 2 334.464 2.033 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cn(CC)nc2C(C)C)C1 ZINC001035522400 784665583 /nfs/dbraw/zinc/66/55/83/784665583.db2.gz LBCDHABXAXWRMV-OAHLLOKOSA-N 1 2 334.464 2.033 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2-c2ccsc2)C1 ZINC001035561476 784735718 /nfs/dbraw/zinc/73/57/18/784735718.db2.gz PULZZKYIYOQFED-AWEZNQCLSA-N 1 2 346.456 2.145 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2-c2ccsc2)C1 ZINC001035561476 784735725 /nfs/dbraw/zinc/73/57/25/784735725.db2.gz PULZZKYIYOQFED-AWEZNQCLSA-N 1 2 346.456 2.145 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2sc(CC3CC3)nc2C)C1 ZINC001035564584 784742170 /nfs/dbraw/zinc/74/21/70/784742170.db2.gz VIWXJBXIKSUJRX-OAHLLOKOSA-N 1 2 349.500 2.411 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2sc(CC3CC3)nc2C)C1 ZINC001035564584 784742176 /nfs/dbraw/zinc/74/21/76/784742176.db2.gz VIWXJBXIKSUJRX-OAHLLOKOSA-N 1 2 349.500 2.411 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc3c(s2)CC[C@H](C)C3)C1 ZINC001035602500 784763173 /nfs/dbraw/zinc/76/31/73/784763173.db2.gz IYZHSULFGUOPMT-GOEBONIOSA-N 1 2 346.496 2.327 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc3c(s2)CC[C@H](C)C3)C1 ZINC001035602500 784763188 /nfs/dbraw/zinc/76/31/88/784763188.db2.gz IYZHSULFGUOPMT-GOEBONIOSA-N 1 2 346.496 2.327 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]c3c2cccc3CC)C1 ZINC001035612765 784849777 /nfs/dbraw/zinc/84/97/77/784849777.db2.gz XMEVKZUBYBEDGE-OAHLLOKOSA-N 1 2 327.428 2.347 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2c[nH]c3c2cccc3CC)C1 ZINC001035612765 784849779 /nfs/dbraw/zinc/84/97/79/784849779.db2.gz XMEVKZUBYBEDGE-OAHLLOKOSA-N 1 2 327.428 2.347 20 30 EEEDLO Cc1nc(C[NH+]2CC3(C2)CCN(C(=O)[C@@H](C)C#N)CC3)sc1C ZINC001035671169 784961692 /nfs/dbraw/zinc/96/16/92/784961692.db2.gz NDHNPJQHEVGYFD-LBPRGKRZSA-N 1 2 332.473 2.344 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cnc3nccn3c1)CC2 ZINC001035747930 785103618 /nfs/dbraw/zinc/10/36/18/785103618.db2.gz FKLAJHPINRQAPV-UHFFFAOYSA-N 1 2 345.834 2.020 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)C(C)=C3CCC3)CC2)C1 ZINC001105706733 785846841 /nfs/dbraw/zinc/84/68/41/785846841.db2.gz ZMSLKMHSSYZNGO-UHFFFAOYSA-N 1 2 348.487 2.381 20 30 EEEDLO CC1(C)C[N@H+](CCNc2cc(Br)cnc2C#N)CCO1 ZINC000820645037 786020662 /nfs/dbraw/zinc/02/06/62/786020662.db2.gz NIRFMCPMNXCUNL-UHFFFAOYSA-N 1 2 339.237 2.238 20 30 EEEDLO CC1(C)C[N@@H+](CCNc2cc(Br)cnc2C#N)CCO1 ZINC000820645037 786020672 /nfs/dbraw/zinc/02/06/72/786020672.db2.gz NIRFMCPMNXCUNL-UHFFFAOYSA-N 1 2 339.237 2.238 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@H](CC)C(C)(C)C)nn2)C1 ZINC001107229761 786563835 /nfs/dbraw/zinc/56/38/35/786563835.db2.gz QSUXROLMEFZYOD-AWEZNQCLSA-N 1 2 333.480 2.399 20 30 EEEDLO CN(C)C(=O)COc1ccc(C(=O)/C=C/c2ccc(N)[nH+]c2)cc1 ZINC000821032405 786566443 /nfs/dbraw/zinc/56/64/43/786566443.db2.gz TYVJZNBDFLMMCJ-YCRREMRBSA-N 1 2 325.368 2.027 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CCCC[C@H]3C)nn2)C1 ZINC001107241538 786566897 /nfs/dbraw/zinc/56/68/97/786566897.db2.gz YKPPEKXQSPBQSW-HUUCEWRRSA-N 1 2 331.464 2.153 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(C)CCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001109581875 805712085 /nfs/dbraw/zinc/71/20/85/805712085.db2.gz UMNOMXWGVMJVEL-ZDUSSCGKSA-N 1 2 334.468 2.109 20 30 EEEDLO CCCc1nc(C[NH2+]C[C@@H]2[C@H](C)CCCN2C(=O)C#CC2CC2)no1 ZINC001036549839 786645508 /nfs/dbraw/zinc/64/55/08/786645508.db2.gz LIZJHOZCQOQORG-GDBMZVCRSA-N 1 2 344.459 2.152 20 30 EEEDLO C=CCC1(C(=O)NC/C=C\CNc2cc[nH+]c(C)n2)CCOCC1 ZINC001107291957 786777512 /nfs/dbraw/zinc/77/75/12/786777512.db2.gz LZVWGYSQBJPVAE-PLNGDYQASA-N 1 2 330.432 2.242 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nnn1CC ZINC001109592640 805728472 /nfs/dbraw/zinc/72/84/72/805728472.db2.gz YJYRGQFLTRQHGV-PMPSAXMXSA-N 1 2 345.491 2.430 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nnn1CC ZINC001109592640 805728476 /nfs/dbraw/zinc/72/84/76/805728476.db2.gz YJYRGQFLTRQHGV-PMPSAXMXSA-N 1 2 345.491 2.430 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cncc(F)c3)C[C@H]2O)CC1 ZINC001090548591 786835051 /nfs/dbraw/zinc/83/50/51/786835051.db2.gz ZSZVXTGPKDQPTJ-ZWKOTPCHSA-N 1 2 347.434 2.019 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cncc(F)c3)C[C@H]2O)CC1 ZINC001090548591 786835062 /nfs/dbraw/zinc/83/50/62/786835062.db2.gz ZSZVXTGPKDQPTJ-ZWKOTPCHSA-N 1 2 347.434 2.019 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(C)CCCNc1[nH+]cnc2c1cnn2C ZINC001109606242 805758806 /nfs/dbraw/zinc/75/88/06/805758806.db2.gz ULSYYAZQDJSARQ-QGZVFWFLSA-N 1 2 330.436 2.226 20 30 EEEDLO N#CCN[C@@H](C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001098821589 787444127 /nfs/dbraw/zinc/44/41/27/787444127.db2.gz PUBXLCVSOABRDW-QAPCUYQASA-N 1 2 343.475 2.253 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2oc(C(C)C)nc2C)[C@H](O)C1 ZINC001090639687 787472855 /nfs/dbraw/zinc/47/28/55/787472855.db2.gz ZIHLCXKVZBTZIL-QWHCGFSZSA-N 1 2 341.839 2.024 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2oc(C(C)C)nc2C)[C@H](O)C1 ZINC001090639687 787472858 /nfs/dbraw/zinc/47/28/58/787472858.db2.gz ZIHLCXKVZBTZIL-QWHCGFSZSA-N 1 2 341.839 2.024 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C/CNc1cccc(F)c1C#N ZINC001107549785 787577137 /nfs/dbraw/zinc/57/71/37/787577137.db2.gz RXXQJVUQKDZITD-YWVDXFKGSA-N 1 2 341.390 2.384 20 30 EEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C/CNc1cccc(F)c1C#N ZINC001107549785 787577147 /nfs/dbraw/zinc/57/71/47/787577147.db2.gz RXXQJVUQKDZITD-YWVDXFKGSA-N 1 2 341.390 2.384 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC(CN(C)c3cc[nH+]c(C)n3)CC2)c1 ZINC001062231485 787675808 /nfs/dbraw/zinc/67/58/08/787675808.db2.gz DFUCEMGLKFOMDD-UHFFFAOYSA-N 1 2 349.438 2.150 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001062255812 787726605 /nfs/dbraw/zinc/72/66/05/787726605.db2.gz KBCSNOGSRAIWFE-APWZRJJASA-N 1 2 346.475 2.442 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001062255812 787726610 /nfs/dbraw/zinc/72/66/10/787726610.db2.gz KBCSNOGSRAIWFE-APWZRJJASA-N 1 2 346.475 2.442 20 30 EEEDLO C=CCOc1cccnc1-c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1 ZINC000823390354 787727409 /nfs/dbraw/zinc/72/74/09/787727409.db2.gz ZPWXBMXASLBVJP-NSHDSACASA-N 1 2 346.387 2.428 20 30 EEEDLO Cc1nc(NCCCN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)ccc1C#N ZINC001109644048 805817584 /nfs/dbraw/zinc/81/75/84/805817584.db2.gz OPBIABJCNUBZPN-CYBMUJFWSA-N 1 2 340.431 2.124 20 30 EEEDLO Cc1nc(NCCCN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)ccc1C#N ZINC001109644048 805817592 /nfs/dbraw/zinc/81/75/92/805817592.db2.gz OPBIABJCNUBZPN-CYBMUJFWSA-N 1 2 340.431 2.124 20 30 EEEDLO C#CCCCC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C3CC3)n2)C[C@H]1C ZINC001090697748 787825308 /nfs/dbraw/zinc/82/53/08/787825308.db2.gz RTVJVPDIAXUOLW-CZUORRHYSA-N 1 2 326.444 2.407 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001062325410 787894354 /nfs/dbraw/zinc/89/43/54/787894354.db2.gz LOZNWCVUJVOSDO-HUUCEWRRSA-N 1 2 332.448 2.052 20 30 EEEDLO CC1(C)CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001077640379 787932343 /nfs/dbraw/zinc/93/23/43/787932343.db2.gz AQTGATLGVCXBPD-DAXOMENPSA-N 1 2 347.484 2.107 20 30 EEEDLO CC1(C)CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001077640379 787932351 /nfs/dbraw/zinc/93/23/51/787932351.db2.gz AQTGATLGVCXBPD-DAXOMENPSA-N 1 2 347.484 2.107 20 30 EEEDLO C/C(=C/C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cnccn1 ZINC000823807810 787936874 /nfs/dbraw/zinc/93/68/74/787936874.db2.gz NWRNIODQMRFXFB-VBKFSLOCSA-N 1 2 347.422 2.096 20 30 EEEDLO CCCCC(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107743065 788203310 /nfs/dbraw/zinc/20/33/10/788203310.db2.gz IJAFYYNUHVNRCD-IBGZPJMESA-N 1 2 329.444 2.456 20 30 EEEDLO CCCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107743065 788203317 /nfs/dbraw/zinc/20/33/17/788203317.db2.gz IJAFYYNUHVNRCD-IBGZPJMESA-N 1 2 329.444 2.456 20 30 EEEDLO C=CCCCC(=O)N(C)C1CC(Nc2[nH+]cnc3c2cnn3C)C1 ZINC001127066480 788307131 /nfs/dbraw/zinc/30/71/31/788307131.db2.gz AQFYTYKHSZMPCF-UHFFFAOYSA-N 1 2 328.420 2.121 20 30 EEEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000824978064 788385445 /nfs/dbraw/zinc/38/54/45/788385445.db2.gz RSWZNOKCHOHEOF-YJBOKZPZSA-N 1 2 348.468 2.378 20 30 EEEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000824978064 788385457 /nfs/dbraw/zinc/38/54/57/788385457.db2.gz RSWZNOKCHOHEOF-YJBOKZPZSA-N 1 2 348.468 2.378 20 30 EEEDLO C=Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)cc1 ZINC001077716280 788629245 /nfs/dbraw/zinc/62/92/45/788629245.db2.gz WPKYYMGGIUNXSC-NHCUHLMSSA-N 1 2 346.430 2.156 20 30 EEEDLO C=Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)cc1 ZINC001077716280 788629250 /nfs/dbraw/zinc/62/92/50/788629250.db2.gz WPKYYMGGIUNXSC-NHCUHLMSSA-N 1 2 346.430 2.156 20 30 EEEDLO Cc1cccc(C)c1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077719955 788640557 /nfs/dbraw/zinc/64/05/57/788640557.db2.gz GNQLYUJLQLYJHF-WOJBJXKFSA-N 1 2 348.446 2.130 20 30 EEEDLO Cc1cccc(C)c1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077719955 788640561 /nfs/dbraw/zinc/64/05/61/788640561.db2.gz GNQLYUJLQLYJHF-WOJBJXKFSA-N 1 2 348.446 2.130 20 30 EEEDLO C[C@]1(CNC(=O)/C=C\C2CC2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107842277 788712366 /nfs/dbraw/zinc/71/23/66/788712366.db2.gz YXDGVERABZQOIU-GWQNQTGSSA-N 1 2 339.439 2.232 20 30 EEEDLO C[C@]1(CNC(=O)/C=C\C2CC2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107842277 788712373 /nfs/dbraw/zinc/71/23/73/788712373.db2.gz YXDGVERABZQOIU-GWQNQTGSSA-N 1 2 339.439 2.232 20 30 EEEDLO C[C@H](C(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1)C1CC1 ZINC001107845911 788737165 /nfs/dbraw/zinc/73/71/65/788737165.db2.gz MPMPNCPJPXIYGD-YWZLYKJASA-N 1 2 341.455 2.311 20 30 EEEDLO C[C@H](C(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1)C1CC1 ZINC001107845911 788737168 /nfs/dbraw/zinc/73/71/68/788737168.db2.gz MPMPNCPJPXIYGD-YWZLYKJASA-N 1 2 341.455 2.311 20 30 EEEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000844134300 788870513 /nfs/dbraw/zinc/87/05/13/788870513.db2.gz IAJWNFPQZDZBFL-NVXWUHKLSA-N 1 2 338.411 2.443 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)C2CC[NH+](Cc3nn(CC)nc3C)CC2)C1 ZINC001005958758 789016298 /nfs/dbraw/zinc/01/62/98/789016298.db2.gz AWKDZINJSFCJES-UHFFFAOYSA-N 1 2 345.491 2.386 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](CC(C)C)OC)CC2)C1 ZINC001105724321 789254132 /nfs/dbraw/zinc/25/41/32/789254132.db2.gz XIRKOFACXIIDES-GOSISDBHSA-N 1 2 338.492 2.315 20 30 EEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)CCC(=O)c2ccc(F)cc2F)C1 ZINC000923586444 789829701 /nfs/dbraw/zinc/82/97/01/789829701.db2.gz QUKREWXNOPZUEI-AWEZNQCLSA-N 1 2 334.366 2.142 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)CCC(=O)c2ccc(F)cc2F)C1 ZINC000923586444 789829704 /nfs/dbraw/zinc/82/97/04/789829704.db2.gz QUKREWXNOPZUEI-AWEZNQCLSA-N 1 2 334.366 2.142 20 30 EEEDLO C[C@@H](CC(=O)[C@@H](C#N)C(=O)NCc1ccc(F)cc1F)n1cc[nH+]c1 ZINC000845526081 789831556 /nfs/dbraw/zinc/83/15/56/789831556.db2.gz CCRYAAGRMUCREE-SMDDNHRTSA-N 1 2 346.337 2.138 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079042206 789899821 /nfs/dbraw/zinc/89/98/21/789899821.db2.gz WMBYXZOIGHHRIF-RDJZCZTQSA-N 1 2 346.475 2.394 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)cn1 ZINC001060317872 790023703 /nfs/dbraw/zinc/02/37/03/790023703.db2.gz QJOWKLYCBQOWBN-QGZVFWFLSA-N 1 2 338.415 2.102 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)cn1 ZINC001060317872 790023705 /nfs/dbraw/zinc/02/37/05/790023705.db2.gz QJOWKLYCBQOWBN-QGZVFWFLSA-N 1 2 338.415 2.102 20 30 EEEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2cc(Cn3cccn3)nc2C1 ZINC001171213333 790061610 /nfs/dbraw/zinc/06/16/10/790061610.db2.gz YWQWARNWUBDLRP-MRXNPFEDSA-N 1 2 346.438 2.446 20 30 EEEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCn2cc(Cn3cccn3)nc2C1 ZINC001171213333 790061614 /nfs/dbraw/zinc/06/16/14/790061614.db2.gz YWQWARNWUBDLRP-MRXNPFEDSA-N 1 2 346.438 2.446 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001030331992 790063934 /nfs/dbraw/zinc/06/39/34/790063934.db2.gz UEEUAFQCBGAKJW-MJGOQNOKSA-N 1 2 339.439 2.450 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CCN(c3nc(C)[nH+]c(C)c3C)C2)c1 ZINC001063028212 790124121 /nfs/dbraw/zinc/12/41/21/790124121.db2.gz HWCWVZJXGLVKPU-SFHVURJKSA-N 1 2 349.438 2.129 20 30 EEEDLO CC(C)C#CC(=O)N1CC2(C1)CC[N@H+](Cc1coc(C3CC3)n1)C2 ZINC001147514418 791853251 /nfs/dbraw/zinc/85/32/51/791853251.db2.gz MBUIZFBDKFRDIU-UHFFFAOYSA-N 1 2 327.428 2.246 20 30 EEEDLO CC(C)C#CC(=O)N1CC2(C1)CC[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC001147514418 791853258 /nfs/dbraw/zinc/85/32/58/791853258.db2.gz MBUIZFBDKFRDIU-UHFFFAOYSA-N 1 2 327.428 2.246 20 30 EEEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001147541685 791859830 /nfs/dbraw/zinc/85/98/30/791859830.db2.gz WUZXTDPSJQTZDM-UHFFFAOYSA-N 1 2 339.277 2.479 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001147541685 791859836 /nfs/dbraw/zinc/85/98/36/791859836.db2.gz WUZXTDPSJQTZDM-UHFFFAOYSA-N 1 2 339.277 2.479 20 30 EEEDLO CCc1nnc([C@@H](C)[N@@H+]2CCC3(CN(C(=O)C#CC(C)(C)C)C3)C2)[nH]1 ZINC001147523647 791868035 /nfs/dbraw/zinc/86/80/35/791868035.db2.gz YPDFOOMKYVPBGJ-CQSZACIVSA-N 1 2 343.475 2.012 20 30 EEEDLO CCc1nnc([C@@H](C)[N@H+]2CCC3(CN(C(=O)C#CC(C)(C)C)C3)C2)[nH]1 ZINC001147523647 791868040 /nfs/dbraw/zinc/86/80/40/791868040.db2.gz YPDFOOMKYVPBGJ-CQSZACIVSA-N 1 2 343.475 2.012 20 30 EEEDLO Cc1nc(NC[C@H]2[C@@H](C)CCCN2C(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001063936447 791995331 /nfs/dbraw/zinc/99/53/31/791995331.db2.gz AVDPSEKFMVCMSN-LRDDRELGSA-N 1 2 338.415 2.338 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nccc(C)n1)C2 ZINC001148138344 792184178 /nfs/dbraw/zinc/18/41/78/792184178.db2.gz SSYZNCWGPBPNMZ-HOCLYGCPSA-N 1 2 328.460 2.278 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nccc(C)n1)C2 ZINC001148138344 792184184 /nfs/dbraw/zinc/18/41/84/792184184.db2.gz SSYZNCWGPBPNMZ-HOCLYGCPSA-N 1 2 328.460 2.278 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nn(CC)nc1C)C2 ZINC001148147520 792189055 /nfs/dbraw/zinc/18/90/55/792189055.db2.gz VIRHQGWGJHGYTK-HNNXBMFYSA-N 1 2 345.491 2.243 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1nn(CC)nc1C)C2 ZINC001148147520 792189066 /nfs/dbraw/zinc/18/90/66/792189066.db2.gz VIRHQGWGJHGYTK-HNNXBMFYSA-N 1 2 345.491 2.243 20 30 EEEDLO Cc1ccoc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032615704 792385178 /nfs/dbraw/zinc/38/51/78/792385178.db2.gz GCGZWUOCJNPDNV-ROUUACIJSA-N 1 2 335.407 2.488 20 30 EEEDLO Cc1ccoc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032615704 792385194 /nfs/dbraw/zinc/38/51/94/792385194.db2.gz GCGZWUOCJNPDNV-ROUUACIJSA-N 1 2 335.407 2.488 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)c(C)o1)c1nccn12 ZINC001092363952 793839092 /nfs/dbraw/zinc/83/90/92/793839092.db2.gz RNQIRHQDVLYIOJ-CQSZACIVSA-N 1 2 326.400 2.165 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccccc1F)c1nccn12 ZINC001092339185 793862868 /nfs/dbraw/zinc/86/28/68/793862868.db2.gz SPOPHBYVQKKFRA-HNNXBMFYSA-N 1 2 326.375 2.094 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[C@@H]3C[C@@H]3CC1)c1nccn12 ZINC001092383613 793878377 /nfs/dbraw/zinc/87/83/77/793878377.db2.gz JQRZXLRLUSBQFH-WCXIOVBPSA-N 1 2 340.471 2.467 20 30 EEEDLO C=C1CC(C)(C(=O)NC2C[NH+](Cc3cccc4c3CCOC4)C2)C1 ZINC001030923700 793913231 /nfs/dbraw/zinc/91/32/31/793913231.db2.gz BPVBJKWEWFFNHM-UHFFFAOYSA-N 1 2 326.440 2.416 20 30 EEEDLO C#CCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H](F)CC)cc1 ZINC001032669859 794033334 /nfs/dbraw/zinc/03/33/34/794033334.db2.gz DGZOVTWAMPEEFV-IKGGRYGDSA-N 1 2 330.403 2.345 20 30 EEEDLO C#CCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H](F)CC)cc1 ZINC001032669859 794033339 /nfs/dbraw/zinc/03/33/39/794033339.db2.gz DGZOVTWAMPEEFV-IKGGRYGDSA-N 1 2 330.403 2.345 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)CCCCC)C2 ZINC001110133057 794062922 /nfs/dbraw/zinc/06/29/22/794062922.db2.gz WAPQJYKKXGUMQQ-MHORFTMASA-N 1 2 347.503 2.064 20 30 EEEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)CCCCC)C2 ZINC001110133057 794062927 /nfs/dbraw/zinc/06/29/27/794062927.db2.gz WAPQJYKKXGUMQQ-MHORFTMASA-N 1 2 347.503 2.064 20 30 EEEDLO C[C@]1(NC(=O)C2=CCOCC2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046259822 794226886 /nfs/dbraw/zinc/22/68/86/794226886.db2.gz SEBDQOZMYKBRIV-IBGZPJMESA-N 1 2 343.402 2.125 20 30 EEEDLO C[C@]1(NC(=O)C2=CCOCC2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046259822 794226892 /nfs/dbraw/zinc/22/68/92/794226892.db2.gz SEBDQOZMYKBRIV-IBGZPJMESA-N 1 2 343.402 2.125 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1cnnn1C ZINC001099170316 794338468 /nfs/dbraw/zinc/33/84/68/794338468.db2.gz GQVOJHFHNDJPFS-CQSZACIVSA-N 1 2 333.480 2.134 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1cnnn1C ZINC001099170316 794338478 /nfs/dbraw/zinc/33/84/78/794338478.db2.gz GQVOJHFHNDJPFS-CQSZACIVSA-N 1 2 333.480 2.134 20 30 EEEDLO C=CCCCC(=O)NC[C@@]1(C)CN(c2nc(C)[nH+]c(C)c2C)CCO1 ZINC001092769269 794347470 /nfs/dbraw/zinc/34/74/70/794347470.db2.gz QIJNVQPHOUDMBN-IBGZPJMESA-N 1 2 346.475 2.470 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C1CCOCC1 ZINC001079341200 794625550 /nfs/dbraw/zinc/62/55/50/794625550.db2.gz OZKYAMLTAFSEAS-FZKQIMNGSA-N 1 2 345.418 2.060 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)C1CCOCC1 ZINC001079341200 794625556 /nfs/dbraw/zinc/62/55/56/794625556.db2.gz OZKYAMLTAFSEAS-FZKQIMNGSA-N 1 2 345.418 2.060 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001109994270 806348159 /nfs/dbraw/zinc/34/81/59/806348159.db2.gz MBVFDFQZHSPYSI-BQFCYCMXSA-N 1 2 344.459 2.463 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccncc2Cl)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079542006 794912590 /nfs/dbraw/zinc/91/25/90/794912590.db2.gz ISECZWSXKZQAEG-BDJLRTHQSA-N 1 2 343.818 2.185 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccncc2Cl)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001079542006 794912599 /nfs/dbraw/zinc/91/25/99/794912599.db2.gz ISECZWSXKZQAEG-BDJLRTHQSA-N 1 2 343.818 2.185 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2F)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079592752 794996158 /nfs/dbraw/zinc/99/61/58/794996158.db2.gz WXFZXPHKMGWTLY-PIGZYNQJSA-N 1 2 344.365 2.415 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001079592752 794996164 /nfs/dbraw/zinc/99/61/64/794996164.db2.gz WXFZXPHKMGWTLY-PIGZYNQJSA-N 1 2 344.365 2.415 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC000999888240 795042683 /nfs/dbraw/zinc/04/26/83/795042683.db2.gz AJKKXGMAVVZWCB-AWEZNQCLSA-N 1 2 332.448 2.315 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC(N(CC)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001079696680 795113789 /nfs/dbraw/zinc/11/37/89/795113789.db2.gz YVZZFMYPNXBMHQ-CQSZACIVSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CCCOCC3)CC2)C1 ZINC001093530496 795317228 /nfs/dbraw/zinc/31/72/28/795317228.db2.gz CSSXEWWYUQRAKD-INIZCTEOSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3ccc(C)n3C)CC2)C1 ZINC001093503713 795326141 /nfs/dbraw/zinc/32/61/41/795326141.db2.gz IXJWXRFPUIJXCU-UHFFFAOYSA-N 1 2 331.460 2.215 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H]3CC[C@@H](OC)C3)CC2)C1 ZINC001093549474 795366801 /nfs/dbraw/zinc/36/68/01/795366801.db2.gz XAYCGJWVYZDLIS-NVXWUHKLSA-N 1 2 336.476 2.069 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3Cc4ccccc43)CC2)C1 ZINC001093565940 795376871 /nfs/dbraw/zinc/37/68/71/795376871.db2.gz IZNIZKAEWWUWRY-IBGZPJMESA-N 1 2 326.440 2.204 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@]3(C)CCO[C@@H]3C)CC2)C1 ZINC001093556772 795411392 /nfs/dbraw/zinc/41/13/92/795411392.db2.gz FNNDILCUWKSKDH-DNVCBOLYSA-N 1 2 336.476 2.069 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2cncc3ccccc32)C1 ZINC001108008793 795494226 /nfs/dbraw/zinc/49/42/26/795494226.db2.gz XANVZUNUWXFRKX-FQEVSTJZSA-N 1 2 339.439 2.170 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2cncc3ccccc32)C1 ZINC001108008793 795494234 /nfs/dbraw/zinc/49/42/34/795494234.db2.gz XANVZUNUWXFRKX-FQEVSTJZSA-N 1 2 339.439 2.170 20 30 EEEDLO C=CCC1(C(=O)N(CC)C2CN(C(=O)Cc3[nH]cc[nH+]3)C2)CCCC1 ZINC001080069597 795560749 /nfs/dbraw/zinc/56/07/49/795560749.db2.gz SJECDFIZHAZMJF-UHFFFAOYSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H](C)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106525936 795772800 /nfs/dbraw/zinc/77/28/00/795772800.db2.gz YYIVEDFTYAQWTM-OCCSQVGLSA-N 1 2 334.468 2.155 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(CC)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001080304980 795805925 /nfs/dbraw/zinc/80/59/25/795805925.db2.gz IAVTVRCDZGZFNC-AWEZNQCLSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(CC)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001080308666 795810884 /nfs/dbraw/zinc/81/08/84/795810884.db2.gz NCNXGPJGKCORET-AWEZNQCLSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(CC)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001080308666 795810890 /nfs/dbraw/zinc/81/08/90/795810890.db2.gz NCNXGPJGKCORET-AWEZNQCLSA-N 1 2 332.448 2.004 20 30 EEEDLO C=C1CCC(C(=O)N[C@H](C)CCNc2[nH+]cnc3c2cnn3C)CC1 ZINC001106553642 795834524 /nfs/dbraw/zinc/83/45/24/795834524.db2.gz SZAYWEYMCPJOPD-CYBMUJFWSA-N 1 2 342.447 2.416 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001094011675 795858823 /nfs/dbraw/zinc/85/88/23/795858823.db2.gz OTDBUZJYHMGJIW-LJQANCHMSA-N 1 2 346.475 2.421 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001080337913 795897966 /nfs/dbraw/zinc/89/79/66/795897966.db2.gz GDKCMVFRCTWQGM-PVXIVEMSSA-N 1 2 336.867 2.029 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001080337913 795897971 /nfs/dbraw/zinc/89/79/71/795897971.db2.gz GDKCMVFRCTWQGM-PVXIVEMSSA-N 1 2 336.867 2.029 20 30 EEEDLO C[C@H](CCNc1ncccc1C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001106594218 795909807 /nfs/dbraw/zinc/90/98/07/795909807.db2.gz YSILCBKVIRUTOM-KGLIPLIRSA-N 1 2 326.404 2.108 20 30 EEEDLO Cc1cnc(C[N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)s1 ZINC000993208314 795933733 /nfs/dbraw/zinc/93/37/33/795933733.db2.gz YFFWRUSCLNLDOV-SWLSCSKDSA-N 1 2 343.456 2.434 20 30 EEEDLO Cc1cnc(C[N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)s1 ZINC000993208314 795933738 /nfs/dbraw/zinc/93/37/38/795933738.db2.gz YFFWRUSCLNLDOV-SWLSCSKDSA-N 1 2 343.456 2.434 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3CC[C@H](C)CC3)nn2)C1 ZINC001094335342 796109054 /nfs/dbraw/zinc/10/90/54/796109054.db2.gz CREFQKNVQACAFB-SHTZXODSSA-N 1 2 331.464 2.153 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ccc(C(C)C)s3)nn2)C1 ZINC001094340997 796116331 /nfs/dbraw/zinc/11/63/31/796116331.db2.gz XQCZVNAOKLCKCP-UHFFFAOYSA-N 1 2 345.472 2.436 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001060977450 796338664 /nfs/dbraw/zinc/33/86/64/796338664.db2.gz GVSAFRLHDNKNNT-KSSFIOAISA-N 1 2 346.479 2.109 20 30 EEEDLO C[S@](=O)c1c[nH]c2nc[nH+]c(NCCOc3ccc(C#N)cc3)c12 ZINC001171480694 796610902 /nfs/dbraw/zinc/61/09/02/796610902.db2.gz HYLHRIIFSCNKQP-DEOSSOPVSA-N 1 2 341.396 2.009 20 30 EEEDLO C#CCOc1ncccc1C(=O)NC1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001031276088 796626515 /nfs/dbraw/zinc/62/65/15/796626515.db2.gz JWQAPNWUFJLIHF-LJQANCHMSA-N 1 2 347.418 2.195 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1occc1C ZINC001081364064 796741078 /nfs/dbraw/zinc/74/10/78/796741078.db2.gz PKYNFMPICOYORM-IAGOWNOFSA-N 1 2 339.395 2.089 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1occc1C ZINC001081364064 796741081 /nfs/dbraw/zinc/74/10/81/796741081.db2.gz PKYNFMPICOYORM-IAGOWNOFSA-N 1 2 339.395 2.089 20 30 EEEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H](C)C1CC1 ZINC001081499562 796779963 /nfs/dbraw/zinc/77/99/63/796779963.db2.gz FMURBNXWODFCOV-GDIGMMSISA-N 1 2 344.430 2.039 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H](C)C1CC1 ZINC001081499562 796779969 /nfs/dbraw/zinc/77/99/69/796779969.db2.gz FMURBNXWODFCOV-GDIGMMSISA-N 1 2 344.430 2.039 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CCC(Nc2ccc(C#N)nc2)CC1 ZINC001060599843 796809565 /nfs/dbraw/zinc/80/95/65/796809565.db2.gz XESFFBQIKIOXKO-UHFFFAOYSA-N 1 2 338.415 2.067 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)NCCCNc2nc(C)ccc2C#N)c[nH+]1 ZINC001094864828 796843154 /nfs/dbraw/zinc/84/31/54/796843154.db2.gz ZKNODKCQHRKECU-UHFFFAOYSA-N 1 2 340.431 2.120 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CCC1(C)C ZINC001082044149 797117120 /nfs/dbraw/zinc/11/71/20/797117120.db2.gz ZXWGQXCUUWRPSR-RCCFBDPRSA-N 1 2 341.455 2.310 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1CCC1(C)C ZINC001082044149 797117124 /nfs/dbraw/zinc/11/71/24/797117124.db2.gz ZXWGQXCUUWRPSR-RCCFBDPRSA-N 1 2 341.455 2.310 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001082100819 797173602 /nfs/dbraw/zinc/17/36/02/797173602.db2.gz VFZYDHPBQFBYPM-HOCLYGCPSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001082100819 797173607 /nfs/dbraw/zinc/17/36/07/797173607.db2.gz VFZYDHPBQFBYPM-HOCLYGCPSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cncs3)C[C@H]2OC)CC1 ZINC001082102111 797177232 /nfs/dbraw/zinc/17/72/32/797177232.db2.gz JNAHHVVWUVVZCR-HZPDHXFCSA-N 1 2 335.473 2.205 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cncs3)C[C@H]2OC)CC1 ZINC001082102111 797177234 /nfs/dbraw/zinc/17/72/34/797177234.db2.gz JNAHHVVWUVVZCR-HZPDHXFCSA-N 1 2 335.473 2.205 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001082198376 797289754 /nfs/dbraw/zinc/28/97/54/797289754.db2.gz VUQVXMPZWKIVGL-HNNXBMFYSA-N 1 2 332.448 2.114 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn(C(C)C)nn2)[C@@H]1C ZINC000994109031 797324190 /nfs/dbraw/zinc/32/41/90/797324190.db2.gz UAXRUVBULLJDIL-STQMWFEESA-N 1 2 325.844 2.194 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C(C)C)nn2)[C@@H]1C ZINC000994109031 797324196 /nfs/dbraw/zinc/32/41/96/797324196.db2.gz UAXRUVBULLJDIL-STQMWFEESA-N 1 2 325.844 2.194 20 30 EEEDLO Cc1cc(N(C)[C@@H]2CCN(C(=O)C#CC(C)C)C2)nc(C2CC2)[nH+]1 ZINC001095117811 797374644 /nfs/dbraw/zinc/37/46/44/797374644.db2.gz ZLRDEXUOCVJWMU-MRXNPFEDSA-N 1 2 326.444 2.359 20 30 EEEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)c2ccccn2)CC1 ZINC001002234562 797731455 /nfs/dbraw/zinc/73/14/55/797731455.db2.gz GULSVAVFNDIYOZ-UHFFFAOYSA-N 1 2 338.386 2.487 20 30 EEEDLO Cc1nc(N2CC[C@H](NC(=O)C#CC(C)C)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC001112409713 797819233 /nfs/dbraw/zinc/81/92/33/797819233.db2.gz OWQAOKQCXGDRNN-DYVFJYSZSA-N 1 2 328.460 2.392 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)c3c(F)cccc3F)[C@H]2C1 ZINC001083143805 797897062 /nfs/dbraw/zinc/89/70/62/797897062.db2.gz BPWLYANNBWUZNE-RRQGHBQHSA-N 1 2 348.393 2.003 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)c3c(F)cccc3F)[C@H]2C1 ZINC001083143805 797897072 /nfs/dbraw/zinc/89/70/72/797897072.db2.gz BPWLYANNBWUZNE-RRQGHBQHSA-N 1 2 348.393 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2.237 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2ccc(Cn3cccn3)o2)CC1 ZINC001002875186 798756940 /nfs/dbraw/zinc/75/69/40/798756940.db2.gz FGDMUWBHEKVSRN-UHFFFAOYSA-N 1 2 348.834 2.471 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3(CC=C)CCCC3)C[C@H]21 ZINC001177163792 798783977 /nfs/dbraw/zinc/78/39/77/798783977.db2.gz YCOXFPXVCSMENL-QZTJIDSGSA-N 1 2 330.472 2.448 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(CC=C)CCCC3)C[C@H]21 ZINC001177163792 798783982 /nfs/dbraw/zinc/78/39/82/798783982.db2.gz YCOXFPXVCSMENL-QZTJIDSGSA-N 1 2 330.472 2.448 20 30 EEEDLO C#CCCCCC(=O)NCc1cnn2c1C[N@H+](CC[C@H](C)F)CC2 ZINC001128312261 798792730 /nfs/dbraw/zinc/79/27/30/798792730.db2.gz KHEVKCNNLZVGRY-HNNXBMFYSA-N 1 2 334.439 2.257 20 30 EEEDLO C#CCCCCC(=O)NCc1cnn2c1C[N@@H+](CC[C@H](C)F)CC2 ZINC001128312261 798792733 /nfs/dbraw/zinc/79/27/33/798792733.db2.gz KHEVKCNNLZVGRY-HNNXBMFYSA-N 1 2 334.439 2.257 20 30 EEEDLO Cn1c[nH+]cc1CCC(=O)NCC1(Nc2cccc(F)c2C#N)CC1 ZINC001110205746 798887681 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C=CCOCC(=O)N1CC[C@H]([NH2+]Cc2nc(C3CCCC3)no2)[C@@H]1C ZINC001178339130 799400502 /nfs/dbraw/zinc/40/05/02/799400502.db2.gz VUMKEXZOJNIANQ-ZFWWWQNUSA-N 1 2 348.447 2.009 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)/C(C)=C\CC)CC2)C1 ZINC001065711253 799407429 /nfs/dbraw/zinc/40/74/29/799407429.db2.gz KMKRKFICOFOMEY-ZKLMEHKCSA-N 1 2 347.503 2.444 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCC3(C)CC3)C2)CC1 ZINC001065712707 799410684 /nfs/dbraw/zinc/41/06/84/799410684.db2.gz CNDOCEUMGRNXMW-KRWDZBQOSA-N 1 2 347.503 2.278 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]([NH2+]Cc2noc(-c3ccoc3)n2)[C@@H]1C ZINC001178581950 799521534 /nfs/dbraw/zinc/52/15/34/799521534.db2.gz HUHZWTQCUCQANN-ZFWWWQNUSA-N 1 2 342.399 2.212 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2ccccc2OCC)C1 ZINC001108056225 799695304 /nfs/dbraw/zinc/69/53/04/799695304.db2.gz YPWJDFXBDZDVHH-HXUWFJFHSA-N 1 2 346.471 2.411 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCc2ccccc2OCC)C1 ZINC001108056225 799695309 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C=C[C@](C)(CC)C(=O)NCc1cnn2c1C[N@@H+](CCC[C@@H](C)O)CC2 ZINC001128481133 800094638 /nfs/dbraw/zinc/09/46/38/800094638.db2.gz KOHATQOSSJUSEL-DNVCBOLYSA-N 1 2 348.491 2.078 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)NC[C@@H](C)Nc2ccc(C#N)c(C)n2)c[nH+]1 ZINC001098370345 800316055 /nfs/dbraw/zinc/31/60/55/800316055.db2.gz NQCTXRAVNMMNJK-GFCCVEGCSA-N 1 2 340.431 2.119 20 30 EEEDLO C=CCSCC(=O)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001180559725 800475372 /nfs/dbraw/zinc/47/53/72/800475372.db2.gz WTXFWOBSMLDQGO-UHFFFAOYSA-N 1 2 347.484 2.199 20 30 EEEDLO CCc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)[nH]n1 ZINC001085492810 800630354 /nfs/dbraw/zinc/63/03/54/800630354.db2.gz FXKAZKXBDQHVPX-SFHVURJKSA-N 1 2 336.439 2.170 20 30 EEEDLO CCc1cc(C(=O)N(C)C[C@@H]2CC[N@H+]2CC#Cc2ccccc2)[nH]n1 ZINC001085492810 800630358 /nfs/dbraw/zinc/63/03/58/800630358.db2.gz FXKAZKXBDQHVPX-SFHVURJKSA-N 1 2 336.439 2.170 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1)C(=O)c1cncs1 ZINC001085503436 800657309 /nfs/dbraw/zinc/65/73/09/800657309.db2.gz XIYXZYNULCGLNW-HNNXBMFYSA-N 1 2 326.425 2.361 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)c1cncs1 ZINC001085503436 800657314 /nfs/dbraw/zinc/65/73/14/800657314.db2.gz XIYXZYNULCGLNW-HNNXBMFYSA-N 1 2 326.425 2.361 20 30 EEEDLO CCc1nc(C)c(C[N@@H+]2CC[C@H]2CN(C)C(=O)c2cc(C#N)c[nH]2)o1 ZINC001085534100 800719370 /nfs/dbraw/zinc/71/93/70/800719370.db2.gz BLLIBONNBJDTPQ-AWEZNQCLSA-N 1 2 341.415 2.092 20 30 EEEDLO CCc1nc(C)c(C[N@H+]2CC[C@H]2CN(C)C(=O)c2cc(C#N)c[nH]2)o1 ZINC001085534100 800719375 /nfs/dbraw/zinc/71/93/75/800719375.db2.gz BLLIBONNBJDTPQ-AWEZNQCLSA-N 1 2 341.415 2.092 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1cc(C#N)c[nH]1 ZINC001085534407 800720815 /nfs/dbraw/zinc/72/08/15/800720815.db2.gz JPWFUGTVAXALFR-SFHVURJKSA-N 1 2 332.407 2.084 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)c1cc(C#N)c[nH]1 ZINC001085534407 800720817 /nfs/dbraw/zinc/72/08/17/800720817.db2.gz JPWFUGTVAXALFR-SFHVURJKSA-N 1 2 332.407 2.084 20 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/nfs/dbraw/zinc/51/59/92/801515992.db2.gz DVCWEHKRONIMPZ-KRWDZBQOSA-N 1 2 335.411 2.003 20 30 EEEDLO Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)nn1 ZINC001033080292 801515997 /nfs/dbraw/zinc/51/59/97/801515997.db2.gz DVCWEHKRONIMPZ-KRWDZBQOSA-N 1 2 335.411 2.003 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2cccc(OC)c2)C1 ZINC001108068532 801542713 /nfs/dbraw/zinc/54/27/13/801542713.db2.gz PPZSCESZUYXSTH-LJQANCHMSA-N 1 2 332.444 2.021 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCc2cccc(OC)c2)C1 ZINC001108068532 801542719 /nfs/dbraw/zinc/54/27/19/801542719.db2.gz PPZSCESZUYXSTH-LJQANCHMSA-N 1 2 332.444 2.021 20 30 EEEDLO CO[C@H](C)C1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001183837340 801765803 /nfs/dbraw/zinc/76/58/03/801765803.db2.gz XNINXNDKIUBBSK-BEFAXECRSA-N 1 2 341.455 2.406 20 30 EEEDLO CO[C@H](C)C1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001183837340 801765808 /nfs/dbraw/zinc/76/58/08/801765808.db2.gz XNINXNDKIUBBSK-BEFAXECRSA-N 1 2 341.455 2.406 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001066362081 801930506 /nfs/dbraw/zinc/93/05/06/801930506.db2.gz XUYHYMMJDHXFMC-HNNXBMFYSA-N 1 2 332.448 2.114 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CC[C@H]3CCCCO3)c2C1 ZINC001128512312 801970384 /nfs/dbraw/zinc/97/03/84/801970384.db2.gz IHHNKDRKTCOTCT-QGZVFWFLSA-N 1 2 346.475 2.240 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CC[C@H]3CCCCO3)c2C1 ZINC001128512312 801970390 /nfs/dbraw/zinc/97/03/90/801970390.db2.gz IHHNKDRKTCOTCT-QGZVFWFLSA-N 1 2 346.475 2.240 20 30 EEEDLO N#Cc1cccc(N2C[C@@H](C(=O)Nc3ccn4cc[nH+]c4c3)OC2=O)c1 ZINC001184374889 802000150 /nfs/dbraw/zinc/00/01/50/802000150.db2.gz VICSLRMNVIXSHR-HNNXBMFYSA-N 1 2 347.334 2.170 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccn(C(F)F)n2)CC1 ZINC001004450664 802072671 /nfs/dbraw/zinc/07/26/71/802072671.db2.gz ODMNDKDMFLIXBF-CQSZACIVSA-N 1 2 337.374 2.118 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccn(C(F)F)n2)CC1 ZINC001004450664 802072677 /nfs/dbraw/zinc/07/26/77/802072677.db2.gz ODMNDKDMFLIXBF-CQSZACIVSA-N 1 2 337.374 2.118 20 30 EEEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000786983523 806965986 /nfs/dbraw/zinc/96/59/86/806965986.db2.gz VUUFPWICLYHHRX-CVEARBPZSA-N 1 2 338.411 2.443 20 30 EEEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000786983530 806966008 /nfs/dbraw/zinc/96/60/08/806966008.db2.gz VUUFPWICLYHHRX-HZPDHXFCSA-N 1 2 338.411 2.443 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2(c3cccnc3)CC2)CC1 ZINC001004528349 802303699 /nfs/dbraw/zinc/30/36/99/802303699.db2.gz NMWVOMKGZZVGMY-SFHVURJKSA-N 1 2 338.455 2.340 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(c3cccnc3)CC2)CC1 ZINC001004528349 802303706 /nfs/dbraw/zinc/30/37/06/802303706.db2.gz NMWVOMKGZZVGMY-SFHVURJKSA-N 1 2 338.455 2.340 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001108248520 802356345 /nfs/dbraw/zinc/35/63/45/802356345.db2.gz LHSGGYXXLHLLAR-FXAWDEMLSA-N 1 2 328.456 2.329 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001108248520 802356353 /nfs/dbraw/zinc/35/63/53/802356353.db2.gz LHSGGYXXLHLLAR-FXAWDEMLSA-N 1 2 328.456 2.329 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2c[nH]c3cccnc23)CC1 ZINC001004598313 802455253 /nfs/dbraw/zinc/45/52/53/802455253.db2.gz WDCNYGXEMNZMJU-KRWDZBQOSA-N 1 2 337.427 2.403 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2c[nH]c3cccnc23)CC1 ZINC001004598313 802455257 /nfs/dbraw/zinc/45/52/57/802455257.db2.gz WDCNYGXEMNZMJU-KRWDZBQOSA-N 1 2 337.427 2.403 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)c2nnc(C)o2)C1 ZINC001033147758 802473419 /nfs/dbraw/zinc/47/34/19/802473419.db2.gz YGIUDZJZDGNTMO-ZFWWWQNUSA-N 1 2 343.431 2.273 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)c2nnc(C)o2)C1 ZINC001033147758 802473425 /nfs/dbraw/zinc/47/34/25/802473425.db2.gz YGIUDZJZDGNTMO-ZFWWWQNUSA-N 1 2 343.431 2.273 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001108255544 802538876 /nfs/dbraw/zinc/53/88/76/802538876.db2.gz FWIADQYLVZHHMZ-HXUWFJFHSA-N 1 2 344.455 2.238 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001108255544 802538881 /nfs/dbraw/zinc/53/88/81/802538881.db2.gz FWIADQYLVZHHMZ-HXUWFJFHSA-N 1 2 344.455 2.238 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C(C3CC3)C3CC3)c2C1 ZINC001128549292 802940836 /nfs/dbraw/zinc/94/08/36/802940836.db2.gz IJGPSGOJIBMYMP-UHFFFAOYSA-N 1 2 328.460 2.327 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C(C3CC3)C3CC3)c2C1 ZINC001128549292 802940841 /nfs/dbraw/zinc/94/08/41/802940841.db2.gz IJGPSGOJIBMYMP-UHFFFAOYSA-N 1 2 328.460 2.327 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(OC)c(C)c(OC)c2)C1 ZINC001108383280 803426724 /nfs/dbraw/zinc/42/67/24/803426724.db2.gz BEOHARXRWRRLLC-IBGZPJMESA-N 1 2 348.443 2.019 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(OC)c(C)c(OC)c2)C1 ZINC001108383280 803426729 /nfs/dbraw/zinc/42/67/29/803426729.db2.gz BEOHARXRWRRLLC-IBGZPJMESA-N 1 2 348.443 2.019 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2cccc(OCC)c2)C1 ZINC001108424866 803524658 /nfs/dbraw/zinc/52/46/58/803524658.db2.gz UEQAVMDSJTYLSE-IBGZPJMESA-N 1 2 332.444 2.021 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2cccc(OCC)c2)C1 ZINC001108424866 803524660 /nfs/dbraw/zinc/52/46/60/803524660.db2.gz UEQAVMDSJTYLSE-IBGZPJMESA-N 1 2 332.444 2.021 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CCCC[C@@H](C)CC)CC2=O)C1 ZINC001108549715 804038394 /nfs/dbraw/zinc/03/83/94/804038394.db2.gz OLPANMIPFQUTNC-HOTGVXAUSA-N 1 2 335.492 2.180 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H](CC)CCCCC)CC2=O)C1 ZINC001108591795 804262632 /nfs/dbraw/zinc/26/26/32/804262632.db2.gz FLGMEDBYMXXXAJ-JKSUJKDBSA-N 1 2 335.492 2.180 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CCCCC)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129375526 804747382 /nfs/dbraw/zinc/74/73/82/804747382.db2.gz BXOBHGRZHFCJEV-KURKYZTESA-N 1 2 345.491 2.105 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CCCCC)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129375526 804747387 /nfs/dbraw/zinc/74/73/87/804747387.db2.gz BXOBHGRZHFCJEV-KURKYZTESA-N 1 2 345.491 2.105 20 30 EEEDLO COCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001108989877 804787918 /nfs/dbraw/zinc/78/79/18/804787918.db2.gz BUZZMHOBDBNVBU-NJAFHUGGSA-N 1 2 345.418 2.345 20 30 EEEDLO COCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001108989877 804787924 /nfs/dbraw/zinc/78/79/24/804787924.db2.gz BUZZMHOBDBNVBU-NJAFHUGGSA-N 1 2 345.418 2.345 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1F ZINC001109270531 805218794 /nfs/dbraw/zinc/21/87/94/805218794.db2.gz KLSVYISPVPWQRX-NJAFHUGGSA-N 1 2 348.393 2.226 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1F ZINC001109270531 805218798 /nfs/dbraw/zinc/21/87/98/805218798.db2.gz KLSVYISPVPWQRX-NJAFHUGGSA-N 1 2 348.393 2.226 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1 ZINC001109336567 805318025 /nfs/dbraw/zinc/31/80/25/805318025.db2.gz JKLBMNZTNJDBNR-IKGGRYGDSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1 ZINC001109336567 805318034 /nfs/dbraw/zinc/31/80/34/805318034.db2.gz JKLBMNZTNJDBNR-IKGGRYGDSA-N 1 2 347.503 2.227 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnc(C)nc2)CCC1 ZINC001109392910 805396855 /nfs/dbraw/zinc/39/68/55/805396855.db2.gz HMDLFQRGBOFFHS-SQNIBIBYSA-N 1 2 338.455 2.200 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnc(C)nc2)CCC1 ZINC001109392910 805396864 /nfs/dbraw/zinc/39/68/64/805396864.db2.gz HMDLFQRGBOFFHS-SQNIBIBYSA-N 1 2 338.455 2.200 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)sc1C)C2 ZINC001109492178 805555381 /nfs/dbraw/zinc/55/53/81/805555381.db2.gz LNKRKQKTBYWBCK-KBMXLJTQSA-N 1 2 347.484 2.002 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)sc1C)C2 ZINC001109492178 805555386 /nfs/dbraw/zinc/55/53/86/805555386.db2.gz LNKRKQKTBYWBCK-KBMXLJTQSA-N 1 2 347.484 2.002 20 30 EEEDLO C=CCOCC(=O)N1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC001112704397 807051564 /nfs/dbraw/zinc/05/15/64/807051564.db2.gz UBJQOGJMKKUSAZ-UHFFFAOYSA-N 1 2 332.444 2.029 20 30 EEEDLO COC1(CC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)CCC1 ZINC001112812037 807338031 /nfs/dbraw/zinc/33/80/31/807338031.db2.gz HLTDUDCKFLPQKE-UHFFFAOYSA-N 1 2 327.428 2.162 20 30 EEEDLO Cc1nc(N[C@H](C)[C@H](C)NC(=O)CSCC#N)c2c([nH+]1)CCCC2 ZINC001112910896 807594393 /nfs/dbraw/zinc/59/43/93/807594393.db2.gz KWFGFHDIBIXDHV-NWDGAFQWSA-N 1 2 347.488 2.226 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCc2ccc(C)s2)[C@@H](O)C1 ZINC001100146334 808073034 /nfs/dbraw/zinc/07/30/34/808073034.db2.gz ZOGBLPKUGZBEQK-GJZGRUSLSA-N 1 2 342.892 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCc2ccc(C)s2)[C@@H](O)C1 ZINC001100146334 808073042 /nfs/dbraw/zinc/07/30/42/808073042.db2.gz ZOGBLPKUGZBEQK-GJZGRUSLSA-N 1 2 342.892 2.293 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+](C[C@H](O)c2cccc(OC)c2)CC1 ZINC001113243081 808549786 /nfs/dbraw/zinc/54/97/86/808549786.db2.gz DCKGUVPUKRCDFN-LPHOPBHVSA-N 1 2 346.471 2.475 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(-c3cccs3)n[nH]2)CC1 ZINC001113367495 808819825 /nfs/dbraw/zinc/81/98/25/808819825.db2.gz UAUXYQXRXVIWGL-UHFFFAOYSA-N 1 2 346.456 2.099 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)[C@H](O)C1 ZINC001090457286 809410298 /nfs/dbraw/zinc/41/02/98/809410298.db2.gz BLAKQGLORQTABI-WMLDXEAASA-N 1 2 347.846 2.394 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)[C@H](O)C1 ZINC001090457286 809410301 /nfs/dbraw/zinc/41/03/01/809410301.db2.gz BLAKQGLORQTABI-WMLDXEAASA-N 1 2 347.846 2.394 20 30 EEEDLO N#Cc1ccc(C[NH2+]c2cccc(=NN3C(=O)CCC3=O)[nH]2)s1 ZINC001170200045 809826605 /nfs/dbraw/zinc/82/66/05/809826605.db2.gz SRMHBCAUVCUMET-UHFFFAOYSA-N 1 2 327.369 2.103 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[NH2+]Cc2nnc(C3CC3)o2)cc1 ZINC001130371551 811522016 /nfs/dbraw/zinc/52/20/16/811522016.db2.gz ZCMWBBDNKOMYBE-UHFFFAOYSA-N 1 2 342.399 2.031 20 30 EEEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCC(C)(C)C)C1 ZINC001131316560 812655106 /nfs/dbraw/zinc/65/51/06/812655106.db2.gz NDFBLQVBKLKNKR-OAGGEKHMSA-N 1 2 349.475 2.105 20 30 EEEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCC(C)(C)C)C1 ZINC001131316560 812655111 /nfs/dbraw/zinc/65/51/11/812655111.db2.gz NDFBLQVBKLKNKR-OAGGEKHMSA-N 1 2 349.475 2.105 20 30 EEEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@H](C)CCCCC)CC1 ZINC001131385918 812747452 /nfs/dbraw/zinc/74/74/52/812747452.db2.gz PGNQQUFUVVOTHP-QGZVFWFLSA-N 1 2 337.508 2.429 20 30 EEEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C[C@H](C)CCCCC)CC1 ZINC001131385918 812747459 /nfs/dbraw/zinc/74/74/59/812747459.db2.gz PGNQQUFUVVOTHP-QGZVFWFLSA-N 1 2 337.508 2.429 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CCOC(C)C)C[C@@H](C)O2 ZINC001131629366 813045976 /nfs/dbraw/zinc/04/59/76/813045976.db2.gz PWWGWKZRZHBDOI-NVXWUHKLSA-N 1 2 344.883 2.246 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCOC(C)C)C[C@@H](C)O2 ZINC001131629366 813045981 /nfs/dbraw/zinc/04/59/81/813045981.db2.gz PWWGWKZRZHBDOI-NVXWUHKLSA-N 1 2 344.883 2.246 20 30 EEEDLO CCc1cc(C(=O)N(C)CC[N@H+](C)Cc2ccc(C#N)cc2F)no1 ZINC001438927871 1091603241 /nfs/dbraw/zinc/60/32/41/1091603241.db2.gz LJGAUKNSSIBTNN-UHFFFAOYSA-N 1 2 344.390 2.452 20 30 EEEDLO CCc1cc(C(=O)N(C)CC[N@@H+](C)Cc2ccc(C#N)cc2F)no1 ZINC001438927871 1091603247 /nfs/dbraw/zinc/60/32/47/1091603247.db2.gz LJGAUKNSSIBTNN-UHFFFAOYSA-N 1 2 344.390 2.452 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1CCN(C(=O)C(C)C)CC1 ZINC001440961249 1094218650 /nfs/dbraw/zinc/21/86/50/1094218650.db2.gz XRLRMQUTDTYUBL-CQSZACIVSA-N 1 2 343.899 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1CCN(C(=O)C(C)C)CC1 ZINC001440961249 1094218653 /nfs/dbraw/zinc/21/86/53/1094218653.db2.gz XRLRMQUTDTYUBL-CQSZACIVSA-N 1 2 343.899 2.070 20 30 EEEDLO C=C(Cl)C[NH2+][C@H](C)CCNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001442283403 1096595300 /nfs/dbraw/zinc/59/53/00/1096595300.db2.gz ARFHUAIIMYTIAS-GFCCVEGCSA-N 1 2 333.823 2.322 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC[N@H+](C)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC001442382561 1096705099 /nfs/dbraw/zinc/70/50/99/1096705099.db2.gz UGJQBHVQDQVRTC-QWRGUYRKSA-N 1 2 333.417 2.067 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](C)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC001442382561 1096705101 /nfs/dbraw/zinc/70/51/01/1096705101.db2.gz UGJQBHVQDQVRTC-QWRGUYRKSA-N 1 2 333.417 2.067 20 30 EEEDLO CN(C)c1cccc(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)c1 ZINC001442582481 1096948968 /nfs/dbraw/zinc/94/89/68/1096948968.db2.gz DTSSMRKPTNKNRQ-UHFFFAOYSA-N 1 2 336.439 2.486 20 30 EEEDLO CN(C)c1cccc(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)c1 ZINC001442582481 1096948969 /nfs/dbraw/zinc/94/89/69/1096948969.db2.gz DTSSMRKPTNKNRQ-UHFFFAOYSA-N 1 2 336.439 2.486 20 30 EEEDLO C[N@H+](CCNC(=O)[C@H]1COc2ccccc21)Cc1ccccc1C#N ZINC001442618231 1096987676 /nfs/dbraw/zinc/98/76/76/1096987676.db2.gz DELLWOOTMQCALA-SFHVURJKSA-N 1 2 335.407 2.282 20 30 EEEDLO C[N@@H+](CCNC(=O)[C@H]1COc2ccccc21)Cc1ccccc1C#N ZINC001442618231 1096987679 /nfs/dbraw/zinc/98/76/79/1096987679.db2.gz DELLWOOTMQCALA-SFHVURJKSA-N 1 2 335.407 2.282 20 30 EEEDLO N#CCSCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001479897657 1099280202 /nfs/dbraw/zinc/28/02/02/1099280202.db2.gz CDBHAEJTVRJACN-HNNXBMFYSA-N 1 2 346.431 2.035 20 30 EEEDLO N#CCSCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001479897657 1099280207 /nfs/dbraw/zinc/28/02/07/1099280207.db2.gz CDBHAEJTVRJACN-HNNXBMFYSA-N 1 2 346.431 2.035 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001479905429 1099291747 /nfs/dbraw/zinc/29/17/47/1099291747.db2.gz HOGZQOYNVGAAMI-IRXDYDNUSA-N 1 2 333.476 2.006 20 30 EEEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001479905429 1099291762 /nfs/dbraw/zinc/29/17/62/1099291762.db2.gz HOGZQOYNVGAAMI-IRXDYDNUSA-N 1 2 333.476 2.006 20 30 EEEDLO Cc1nc(C)c(C(=O)N(C)CC[N@H+](C)Cc2ccc(C#N)cc2F)[nH]1 ZINC001496785808 1101463317 /nfs/dbraw/zinc/46/33/17/1101463317.db2.gz NIXUMKBOKVIPMV-UHFFFAOYSA-N 1 2 343.406 2.241 20 30 EEEDLO Cc1nc(C)c(C(=O)N(C)CC[N@@H+](C)Cc2ccc(C#N)cc2F)[nH]1 ZINC001496785808 1101463326 /nfs/dbraw/zinc/46/33/26/1101463326.db2.gz NIXUMKBOKVIPMV-UHFFFAOYSA-N 1 2 343.406 2.241 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1cn2cccc(C)c2n1 ZINC001496804515 1101498016 /nfs/dbraw/zinc/49/80/16/1101498016.db2.gz HOQRGACHRRHAAR-UHFFFAOYSA-N 1 2 334.851 2.328 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1cn2cccc(C)c2n1 ZINC001496804515 1101498022 /nfs/dbraw/zinc/49/80/22/1101498022.db2.gz HOQRGACHRRHAAR-UHFFFAOYSA-N 1 2 334.851 2.328 20 30 EEEDLO C[C@@]1(C(=O)NCC[N@H+](Cc2ccc(C#N)cc2F)C2CC2)CCOC1 ZINC001493428434 1108139394 /nfs/dbraw/zinc/13/93/94/1108139394.db2.gz LDGDJFXTHKDILI-LJQANCHMSA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@@]1(C(=O)NCC[N@@H+](Cc2ccc(C#N)cc2F)C2CC2)CCOC1 ZINC001493428434 1108139397 /nfs/dbraw/zinc/13/93/97/1108139397.db2.gz LDGDJFXTHKDILI-LJQANCHMSA-N 1 2 345.418 2.205 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)CCOC(C)C)cc1C#N ZINC001498927140 1108333695 /nfs/dbraw/zinc/33/36/95/1108333695.db2.gz OGCFFXAWBINUKN-KRWDZBQOSA-N 1 2 345.443 2.072 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)CCOC(C)C)cc1C#N ZINC001498927140 1108333709 /nfs/dbraw/zinc/33/37/09/1108333709.db2.gz OGCFFXAWBINUKN-KRWDZBQOSA-N 1 2 345.443 2.072 20 30 EEEDLO COCC1(CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1 ZINC001498977797 1108405447 /nfs/dbraw/zinc/40/54/47/1108405447.db2.gz RLTCLINGFXORJH-ZDUSSCGKSA-N 1 2 333.457 2.127 20 30 EEEDLO COCC1(CC(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1 ZINC001498977797 1108405454 /nfs/dbraw/zinc/40/54/54/1108405454.db2.gz RLTCLINGFXORJH-ZDUSSCGKSA-N 1 2 333.457 2.127 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)CC2(OC)CCC2)C1 ZINC001500211897 1112678572 /nfs/dbraw/zinc/67/85/72/1112678572.db2.gz DLGIXUSWHFHSAB-AWEZNQCLSA-N 1 2 345.281 2.435 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)CC2(OC)CCC2)C1 ZINC001500211897 1112678576 /nfs/dbraw/zinc/67/85/76/1112678576.db2.gz DLGIXUSWHFHSAB-AWEZNQCLSA-N 1 2 345.281 2.435 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)C[C@H]1CCOC1 ZINC001524338556 1120065258 /nfs/dbraw/zinc/06/52/58/1120065258.db2.gz WLQNUGXTYDACKZ-HZPDHXFCSA-N 1 2 333.480 2.484 20 30 EEEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)C[C@H]1CCOC1 ZINC001524338556 1120065264 /nfs/dbraw/zinc/06/52/64/1120065264.db2.gz WLQNUGXTYDACKZ-HZPDHXFCSA-N 1 2 333.480 2.484 20 30 EEEDLO CC[N@H+](Cc1nc2c(cnn2C)c(=O)[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000052828298 214149205 /nfs/dbraw/zinc/14/92/05/214149205.db2.gz MEESVGVSMNLJKE-LBPRGKRZSA-N 1 2 336.399 2.111 20 30 EEEDLO CC[N@@H+](Cc1nc2c(cnn2C)c(=O)[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000052828298 214149208 /nfs/dbraw/zinc/14/92/08/214149208.db2.gz MEESVGVSMNLJKE-LBPRGKRZSA-N 1 2 336.399 2.111 20 30 EEEDLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)Nc3sccc3C#N)C2)n1 ZINC000052861527 214150000 /nfs/dbraw/zinc/15/00/00/214150000.db2.gz WXQSAJCABBTLBA-GFCCVEGCSA-N 1 2 331.401 2.129 20 30 EEEDLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)Nc3sccc3C#N)C2)n1 ZINC000052861527 214150003 /nfs/dbraw/zinc/15/00/03/214150003.db2.gz WXQSAJCABBTLBA-GFCCVEGCSA-N 1 2 331.401 2.129 20 30 EEEDLO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1nnc[nH]1 ZINC000174810168 529872120 /nfs/dbraw/zinc/87/21/20/529872120.db2.gz MSMMHZCFVBYETH-UHFFFAOYSA-N 1 2 344.444 2.077 20 30 EEEDLO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1nnc[nH]1 ZINC000174810168 529872122 /nfs/dbraw/zinc/87/21/22/529872122.db2.gz MSMMHZCFVBYETH-UHFFFAOYSA-N 1 2 344.444 2.077 20 30 EEEDLO Cc1cc([C@@H]2CCCN2C(=O)NCC[N@@H+]2CCOCC2(C)C)on1 ZINC000328934015 539763917 /nfs/dbraw/zinc/76/39/17/539763917.db2.gz PVUOYANYCWQQRO-AWEZNQCLSA-N 1 2 336.436 2.145 20 30 EEEDLO Cc1cc([C@@H]2CCCN2C(=O)NCC[N@H+]2CCOCC2(C)C)on1 ZINC000328934015 539763919 /nfs/dbraw/zinc/76/39/19/539763919.db2.gz PVUOYANYCWQQRO-AWEZNQCLSA-N 1 2 336.436 2.145 20 30 EEEDLO Cc1nc(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)c[nH]1 ZINC000329476202 539774995 /nfs/dbraw/zinc/77/49/95/539774995.db2.gz PJYBRBOMQDAYTB-UHFFFAOYSA-N 1 2 326.360 2.067 20 30 EEEDLO Cc1cccc(C)c1OCCNC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000081514581 237002336 /nfs/dbraw/zinc/00/23/36/237002336.db2.gz HFLLSEKOSCYYKR-UHFFFAOYSA-N 1 2 329.444 2.424 20 30 EEEDLO Cc1cccc(C)c1OCCNC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000081514581 237002342 /nfs/dbraw/zinc/00/23/42/237002342.db2.gz HFLLSEKOSCYYKR-UHFFFAOYSA-N 1 2 329.444 2.424 20 30 EEEDLO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(C#N)CCOCC2)C1 ZINC000113901151 237167871 /nfs/dbraw/zinc/16/78/71/237167871.db2.gz NSGWPIWQFIFJLC-IRXDYDNUSA-N 1 2 333.476 2.420 20 30 EEEDLO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2(C#N)CCOCC2)C1 ZINC000113901151 237167884 /nfs/dbraw/zinc/16/78/84/237167884.db2.gz NSGWPIWQFIFJLC-IRXDYDNUSA-N 1 2 333.476 2.420 20 30 EEEDLO C[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000426152239 241223433 /nfs/dbraw/zinc/22/34/33/241223433.db2.gz HMFYGFIDERIIHY-RYUDHWBXSA-N 1 2 336.823 2.442 20 30 EEEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455701544 244062957 /nfs/dbraw/zinc/06/29/57/244062957.db2.gz JMPVZKXVPODEEF-LBPRGKRZSA-N 1 2 336.823 2.248 20 30 EEEDLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268657455 252109743 /nfs/dbraw/zinc/10/97/43/252109743.db2.gz LEUZTRKTFMSGDA-RBUKOAKNSA-N 1 2 336.391 2.364 20 30 EEEDLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268657455 252109745 /nfs/dbraw/zinc/10/97/45/252109745.db2.gz LEUZTRKTFMSGDA-RBUKOAKNSA-N 1 2 336.391 2.364 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000491772540 533219425 /nfs/dbraw/zinc/21/94/25/533219425.db2.gz ULUXHRGJZPWGJH-UHFFFAOYSA-N 1 2 328.372 2.073 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000491772540 533219430 /nfs/dbraw/zinc/21/94/30/533219430.db2.gz ULUXHRGJZPWGJH-UHFFFAOYSA-N 1 2 328.372 2.073 20 30 EEEDLO Cc1[nH]c(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c[nH+]1 ZINC000271109253 256208721 /nfs/dbraw/zinc/20/87/21/256208721.db2.gz ANPZRBBMXHMCLY-UHFFFAOYSA-N 1 2 325.372 2.105 20 30 EEEDLO Cc1sc(NC(=O)C[N@H+](C)CCc2cnccn2)c(C#N)c1C ZINC000271307318 256231445 /nfs/dbraw/zinc/23/14/45/256231445.db2.gz GWNWFMLOZHGCDY-UHFFFAOYSA-N 1 2 329.429 2.140 20 30 EEEDLO Cc1sc(NC(=O)C[N@@H+](C)CCc2cnccn2)c(C#N)c1C ZINC000271307318 256231446 /nfs/dbraw/zinc/23/14/46/256231446.db2.gz GWNWFMLOZHGCDY-UHFFFAOYSA-N 1 2 329.429 2.140 20 30 EEEDLO N#Cc1ccccc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000119363268 221303600 /nfs/dbraw/zinc/30/36/00/221303600.db2.gz LKWPEEVTIBIDKS-HNNXBMFYSA-N 1 2 345.424 2.267 20 30 EEEDLO CCO[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C ZINC000451527362 286215851 /nfs/dbraw/zinc/21/58/51/286215851.db2.gz HGKPVAUQJNDDRZ-RHSMWYFYSA-N 1 2 336.457 2.079 20 30 EEEDLO CCO[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C ZINC000451527362 286215852 /nfs/dbraw/zinc/21/58/52/286215852.db2.gz HGKPVAUQJNDDRZ-RHSMWYFYSA-N 1 2 336.457 2.079 20 30 EEEDLO N#Cc1ccc([C@H](O)C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000189462012 160141886 /nfs/dbraw/zinc/14/18/86/160141886.db2.gz DCYLRXJYDSJOGL-GOSISDBHSA-N 1 2 339.351 2.263 20 30 EEEDLO CS(=O)(=O)Nc1cccc2c1CC[N@H+](Cc1cccc(C#N)c1)C2 ZINC000193795061 160187195 /nfs/dbraw/zinc/18/71/95/160187195.db2.gz PQNRNUMAPOZOEL-UHFFFAOYSA-N 1 2 341.436 2.488 20 30 EEEDLO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](Cc1cccc(C#N)c1)C2 ZINC000193795061 160187196 /nfs/dbraw/zinc/18/71/96/160187196.db2.gz PQNRNUMAPOZOEL-UHFFFAOYSA-N 1 2 341.436 2.488 20 30 EEEDLO Cc1onc(CC(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1C#N ZINC000352769248 162279220 /nfs/dbraw/zinc/27/92/20/162279220.db2.gz JWFKFSWHLJUNQG-QGZVFWFLSA-N 1 2 335.367 2.368 20 30 EEEDLO Cc1onc(CC(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1C#N ZINC000352769247 162279898 /nfs/dbraw/zinc/27/98/98/162279898.db2.gz JWFKFSWHLJUNQG-KRWDZBQOSA-N 1 2 335.367 2.368 20 30 EEEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@H](COC(F)F)C2)C1=O ZINC000353010167 162390358 /nfs/dbraw/zinc/39/03/58/162390358.db2.gz UGQPZGIKSQTSHX-ZYHUDNBSSA-N 1 2 341.383 2.286 20 30 EEEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@H](COC(F)F)C2)C1=O ZINC000353010167 162390361 /nfs/dbraw/zinc/39/03/61/162390361.db2.gz UGQPZGIKSQTSHX-ZYHUDNBSSA-N 1 2 341.383 2.286 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000364267703 165076035 /nfs/dbraw/zinc/07/60/35/165076035.db2.gz XWMCFQOJHDJYCD-KRWDZBQOSA-N 1 2 344.411 2.044 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCOC2(CCOCC2)CC1 ZINC000364267703 165076036 /nfs/dbraw/zinc/07/60/36/165076036.db2.gz XWMCFQOJHDJYCD-KRWDZBQOSA-N 1 2 344.411 2.044 20 30 EEEDLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527688340 269896712 /nfs/dbraw/zinc/89/67/12/269896712.db2.gz YEZYKGNCARTYJQ-OLMMMNRUSA-N 1 2 341.455 2.262 20 30 EEEDLO N#Cc1ccc(CNc2cccc(C[N@@H+]3CCNC(=O)C3)c2)cc1F ZINC000421358014 270019910 /nfs/dbraw/zinc/01/99/10/270019910.db2.gz RTDNMODVTLWKRN-UHFFFAOYSA-N 1 2 338.386 2.241 20 30 EEEDLO N#Cc1ccc(CNc2cccc(C[N@H+]3CCNC(=O)C3)c2)cc1F ZINC000421358014 270019911 /nfs/dbraw/zinc/01/99/11/270019911.db2.gz RTDNMODVTLWKRN-UHFFFAOYSA-N 1 2 338.386 2.241 20 30 EEEDLO CCC[C@@H](OCC)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527686669 270022123 /nfs/dbraw/zinc/02/21/23/270022123.db2.gz IEICNCYRTBBNQU-GOSISDBHSA-N 1 2 329.444 2.408 20 30 EEEDLO CCOC[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000313445276 266284796 /nfs/dbraw/zinc/28/47/96/266284796.db2.gz OXWWENIHPKFOMU-MRXNPFEDSA-N 1 2 336.457 2.223 20 30 EEEDLO CCOC[C@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000313445276 266284800 /nfs/dbraw/zinc/28/48/00/266284800.db2.gz OXWWENIHPKFOMU-MRXNPFEDSA-N 1 2 336.457 2.223 20 30 EEEDLO N#Cc1ccccc1N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000277489795 268276604 /nfs/dbraw/zinc/27/66/04/268276604.db2.gz QIWNHNMMNFNRCJ-UHFFFAOYSA-N 1 2 334.427 2.275 20 30 EEEDLO N#Cc1ccccc1N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000277489795 268276605 /nfs/dbraw/zinc/27/66/05/268276605.db2.gz QIWNHNMMNFNRCJ-UHFFFAOYSA-N 1 2 334.427 2.275 20 30 EEEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Nc3cccc(C#N)c3C)C2)CC1 ZINC000178579458 276197458 /nfs/dbraw/zinc/19/74/58/276197458.db2.gz KNKHEWVTMQLZIA-QGZVFWFLSA-N 1 2 341.459 2.110 20 30 EEEDLO Cc1c(C[NH+]2CCN(c3cnccc3C#N)CC2)cccc1[N+](=O)[O-] ZINC000574384053 320020100 /nfs/dbraw/zinc/02/01/00/320020100.db2.gz RFRSBPDXAZMHEA-UHFFFAOYSA-N 1 2 337.383 2.492 20 30 EEEDLO C#CCNC(=O)c1ccc(NCc2ccc(N(CC)CC)[nH+]c2)nc1 ZINC000490655464 447894082 /nfs/dbraw/zinc/89/40/82/447894082.db2.gz APIDUOPKORSXAF-UHFFFAOYSA-N 1 2 337.427 2.298 20 30 EEEDLO Cc1ccc([C@H](CNc2ccc(C#N)c(N)n2)[NH+]2CCOCC2)cc1 ZINC000521461049 448990071 /nfs/dbraw/zinc/99/00/71/448990071.db2.gz SNTSCRDCOHKYLT-KRWDZBQOSA-N 1 2 337.427 2.329 20 30 EEEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccn(-c4ccccc4)n3)CC2)c1 ZINC000058343115 463583066 /nfs/dbraw/zinc/58/30/66/463583066.db2.gz MINRRSWCNRRLBX-UHFFFAOYSA-N 1 2 344.422 2.461 20 30 EEEDLO CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)CC1(C#N)CC1 ZINC000292792634 464344434 /nfs/dbraw/zinc/34/44/34/464344434.db2.gz ROWYUDFYSNZFFX-AWEZNQCLSA-N 1 2 330.413 2.064 20 30 EEEDLO [O-]C(N[C@H]1CCOc2c(F)cccc21)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000328601090 465066939 /nfs/dbraw/zinc/06/69/39/465066939.db2.gz DXYWKXVJIYBJQX-FZMZJTMJSA-N 1 2 330.363 2.364 20 30 EEEDLO CC[C@H](C(=O)N(C)Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339245894 465163527 /nfs/dbraw/zinc/16/35/27/465163527.db2.gz IIFJDPHTVGUIRD-QZTJIDSGSA-N 1 2 329.444 2.406 20 30 EEEDLO CC[C@H](C(=O)N(C)Cc1ccc(C#N)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000339245894 465163534 /nfs/dbraw/zinc/16/35/34/465163534.db2.gz IIFJDPHTVGUIRD-QZTJIDSGSA-N 1 2 329.444 2.406 20 30 EEEDLO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000329007416 465201512 /nfs/dbraw/zinc/20/15/12/465201512.db2.gz YHNWKKYHDLCRQM-GDAAHCPNSA-N 1 2 344.459 2.425 20 30 EEEDLO Cn1nccc1[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000329007416 465201514 /nfs/dbraw/zinc/20/15/14/465201514.db2.gz YHNWKKYHDLCRQM-GDAAHCPNSA-N 1 2 344.459 2.425 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000354878800 465208201 /nfs/dbraw/zinc/20/82/01/465208201.db2.gz PSTDUJOPVQOIMU-JFIYKMOQSA-N 1 2 329.444 2.457 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000354878800 465208204 /nfs/dbraw/zinc/20/82/04/465208204.db2.gz PSTDUJOPVQOIMU-JFIYKMOQSA-N 1 2 329.444 2.457 20 30 EEEDLO C=CCC(CC=C)C(=O)NC[C@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000351539494 465209668 /nfs/dbraw/zinc/20/96/68/465209668.db2.gz BBALSKCEOKEQNU-IAGOWNOFSA-N 1 2 334.439 2.217 20 30 EEEDLO C=CCC(CC=C)C(=O)NC[C@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000351539494 465209671 /nfs/dbraw/zinc/20/96/71/465209671.db2.gz BBALSKCEOKEQNU-IAGOWNOFSA-N 1 2 334.439 2.217 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)C1=O ZINC000337169666 465225992 /nfs/dbraw/zinc/22/59/92/465225992.db2.gz DREJRCMDCHRXBA-JKSUJKDBSA-N 1 2 347.846 2.164 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)C1=O ZINC000337169666 465225996 /nfs/dbraw/zinc/22/59/96/465225996.db2.gz DREJRCMDCHRXBA-JKSUJKDBSA-N 1 2 347.846 2.164 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)C1=O ZINC000337169664 465226029 /nfs/dbraw/zinc/22/60/29/465226029.db2.gz DREJRCMDCHRXBA-HOTGVXAUSA-N 1 2 347.846 2.164 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)C1=O ZINC000337169664 465226032 /nfs/dbraw/zinc/22/60/32/465226032.db2.gz DREJRCMDCHRXBA-HOTGVXAUSA-N 1 2 347.846 2.164 20 30 EEEDLO C=CCN(C)C(=O)C(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000298004684 465276791 /nfs/dbraw/zinc/27/67/91/465276791.db2.gz JEQIKCMXALIEAF-CQSZACIVSA-N 1 2 349.862 2.190 20 30 EEEDLO COc1ccc(C(=O)N2CC[NH+]([C@H](C)CCC#N)CC2)cc1OC ZINC000297993740 465277509 /nfs/dbraw/zinc/27/75/09/465277509.db2.gz XDXUQHKUQCOTLF-CQSZACIVSA-N 1 2 331.416 2.154 20 30 EEEDLO O=C(Nc1nnc(C2CCOCC2)s1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329292118 465290097 /nfs/dbraw/zinc/29/00/97/465290097.db2.gz AWUJVQCSXJVGRG-NSHDSACASA-N 1 2 333.417 2.479 20 30 EEEDLO N#CC[C@H](CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000356095596 465292042 /nfs/dbraw/zinc/29/20/42/465292042.db2.gz NBAMFLLIOQQEJF-QGZVFWFLSA-N 1 2 337.427 2.141 20 30 EEEDLO CNC(=O)CC[C@@H]1CCCCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000329566340 465374351 /nfs/dbraw/zinc/37/43/51/465374351.db2.gz SSFPBCFTWVMBSL-KGLIPLIRSA-N 1 2 333.436 2.333 20 30 EEEDLO N#Cc1cccc(/C=C\C(=O)NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000491091808 468298873 /nfs/dbraw/zinc/29/88/73/468298873.db2.gz JZHQAQBQBLAQFF-SREVYHEPSA-N 1 2 348.406 2.119 20 30 EEEDLO N#Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000060349564 462542968 /nfs/dbraw/zinc/54/29/68/462542968.db2.gz DASDCHASLPGXBR-UHFFFAOYSA-N 1 2 338.367 2.494 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000127413682 462549806 /nfs/dbraw/zinc/54/98/06/462549806.db2.gz VABWZQNHGKXVIX-HUUCEWRRSA-N 1 2 348.443 2.099 20 30 EEEDLO C=C[C@H](C)NC(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000128151330 462614673 /nfs/dbraw/zinc/61/46/73/462614673.db2.gz DISJEGYMVLHXHR-AWEZNQCLSA-N 1 2 333.432 2.106 20 30 EEEDLO CC[N@H+](CCC(=O)OC)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091068220 462828434 /nfs/dbraw/zinc/82/84/34/462828434.db2.gz UTOVKRVSEWKOHD-UHFFFAOYSA-N 1 2 326.400 2.437 20 30 EEEDLO CC[N@@H+](CCC(=O)OC)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091068220 462828436 /nfs/dbraw/zinc/82/84/36/462828436.db2.gz UTOVKRVSEWKOHD-UHFFFAOYSA-N 1 2 326.400 2.437 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccncc1Cl ZINC000155621362 462919340 /nfs/dbraw/zinc/91/93/40/462919340.db2.gz IBAIRIMDNKWZJT-GFCCVEGCSA-N 1 2 328.807 2.107 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccncc1Cl ZINC000155621362 462919342 /nfs/dbraw/zinc/91/93/42/462919342.db2.gz IBAIRIMDNKWZJT-GFCCVEGCSA-N 1 2 328.807 2.107 20 30 EEEDLO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](CC#N)C2CCCC2)cc1 ZINC000156685097 463056448 /nfs/dbraw/zinc/05/64/48/463056448.db2.gz TVXITQCINAWCQS-KRWDZBQOSA-N 1 2 331.416 2.153 20 30 EEEDLO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](CC#N)C2CCCC2)cc1 ZINC000156685097 463056453 /nfs/dbraw/zinc/05/64/53/463056453.db2.gz TVXITQCINAWCQS-KRWDZBQOSA-N 1 2 331.416 2.153 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2cc3sc(N(C)C)nc3s2)CC1 ZINC000068444307 463138256 /nfs/dbraw/zinc/13/82/56/463138256.db2.gz RXNCKMVFZANSKI-UHFFFAOYSA-N 1 2 348.497 2.205 20 30 EEEDLO Cc1cn2nc(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)sc2n1 ZINC000026693968 463169201 /nfs/dbraw/zinc/16/92/01/463169201.db2.gz JJHUIHDHPUNDHS-UHFFFAOYSA-N 1 2 338.440 2.293 20 30 EEEDLO CCOCCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000157899435 463183265 /nfs/dbraw/zinc/18/32/65/463183265.db2.gz SGFGZMKNNAATQK-HOCLYGCPSA-N 1 2 331.416 2.013 20 30 EEEDLO CCOCCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000157899435 463183269 /nfs/dbraw/zinc/18/32/69/463183269.db2.gz SGFGZMKNNAATQK-HOCLYGCPSA-N 1 2 331.416 2.013 20 30 EEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1I ZINC000491287394 468342247 /nfs/dbraw/zinc/34/22/47/468342247.db2.gz MBHRHTOKDXFUIH-SNVBAGLBSA-N 1 2 342.180 2.183 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1I ZINC000491287394 468342250 /nfs/dbraw/zinc/34/22/50/468342250.db2.gz MBHRHTOKDXFUIH-SNVBAGLBSA-N 1 2 342.180 2.183 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000029931555 463281247 /nfs/dbraw/zinc/28/12/47/463281247.db2.gz XWWQILNILMPDEW-AWEZNQCLSA-N 1 2 338.238 2.396 20 30 EEEDLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)n(CCC#N)n1 ZINC000069704659 463306284 /nfs/dbraw/zinc/30/62/84/463306284.db2.gz YFTACHLPLVKZEH-HNNXBMFYSA-N 1 2 337.427 2.491 20 30 EEEDLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)n(CCC#N)n1 ZINC000069704659 463306289 /nfs/dbraw/zinc/30/62/89/463306289.db2.gz YFTACHLPLVKZEH-HNNXBMFYSA-N 1 2 337.427 2.491 20 30 EEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000590844792 468356336 /nfs/dbraw/zinc/35/63/36/468356336.db2.gz LWWTXXBGWSNMFG-SNVBAGLBSA-N 1 2 330.779 2.362 20 30 EEEDLO N#CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000071539559 463417782 /nfs/dbraw/zinc/41/77/82/463417782.db2.gz KSZUZEISSLUOOS-LLVKDONJSA-N 1 2 337.221 2.408 20 30 EEEDLO N#CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000071539559 463417787 /nfs/dbraw/zinc/41/77/87/463417787.db2.gz KSZUZEISSLUOOS-LLVKDONJSA-N 1 2 337.221 2.408 20 30 EEEDLO Cc1cc(NC(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)on1 ZINC000104713665 463418955 /nfs/dbraw/zinc/41/89/55/463418955.db2.gz LNWZMJZLPPQCOL-UHFFFAOYSA-N 1 2 340.383 2.337 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)Cc1[nH+]ccn1C ZINC000162022779 463477759 /nfs/dbraw/zinc/47/77/59/463477759.db2.gz JMFHTAAHZZSECW-LLVKDONJSA-N 1 2 331.807 2.404 20 30 EEEDLO C[C@@H]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000151232369 463496625 /nfs/dbraw/zinc/49/66/25/463496625.db2.gz HPDHRBIKGXECGI-PBHICJAKSA-N 1 2 344.440 2.168 20 30 EEEDLO CCn1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cn1 ZINC000072981086 463570814 /nfs/dbraw/zinc/57/08/14/463570814.db2.gz BVTACDWUZKELNG-LBPRGKRZSA-N 1 2 329.404 2.444 20 30 EEEDLO CCn1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cn1 ZINC000072981086 463570817 /nfs/dbraw/zinc/57/08/17/463570817.db2.gz BVTACDWUZKELNG-LBPRGKRZSA-N 1 2 329.404 2.444 20 30 EEEDLO C[C@@H]1CN(c2ccc(CNC(=O)C3(C#N)CCCC3)c[nH+]2)C[C@@H](C)O1 ZINC000044536944 463682138 /nfs/dbraw/zinc/68/21/38/463682138.db2.gz KOLLNBDCMUIXDS-HUUCEWRRSA-N 1 2 342.443 2.395 20 30 EEEDLO C=CCN(CC=C)C(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000283266519 463826800 /nfs/dbraw/zinc/82/68/00/463826800.db2.gz FPMDGJBSMODBDL-INIZCTEOSA-N 1 2 349.862 2.260 20 30 EEEDLO CN(Cc1ccco1)C(=O)CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000178170931 463855537 /nfs/dbraw/zinc/85/55/37/463855537.db2.gz SONKGUKGBAPMDT-UHFFFAOYSA-N 1 2 335.791 2.423 20 30 EEEDLO C=CC[N@H+](CCc1ccccc1)Cc1nnnn1CC1CCOCC1 ZINC000277760982 463930715 /nfs/dbraw/zinc/93/07/15/463930715.db2.gz QFVUBRZPVUCJDJ-UHFFFAOYSA-N 1 2 341.459 2.330 20 30 EEEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nnnn1CC1CCOCC1 ZINC000277760982 463930720 /nfs/dbraw/zinc/93/07/20/463930720.db2.gz QFVUBRZPVUCJDJ-UHFFFAOYSA-N 1 2 341.459 2.330 20 30 EEEDLO CC1(C)CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H]1C#N ZINC000278078527 463954756 /nfs/dbraw/zinc/95/47/56/463954756.db2.gz XPHCBDQQLICESL-MSOLQXFVSA-N 1 2 341.455 2.428 20 30 EEEDLO CC1(C)CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H]1C#N ZINC000278078527 463954766 /nfs/dbraw/zinc/95/47/66/463954766.db2.gz XPHCBDQQLICESL-MSOLQXFVSA-N 1 2 341.455 2.428 20 30 EEEDLO CCS(=O)(=O)C1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000195158493 464006136 /nfs/dbraw/zinc/00/61/36/464006136.db2.gz LFWXXPWXXFCQKQ-UHFFFAOYSA-N 1 2 349.500 2.436 20 30 EEEDLO C=CCC[C@@H](NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000283908967 464037670 /nfs/dbraw/zinc/03/76/70/464037670.db2.gz MIGIABLBMFBQCU-NVXWUHKLSA-N 1 2 340.427 2.212 20 30 EEEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@H](C2CC2)O1 ZINC000279364970 464091629 /nfs/dbraw/zinc/09/16/29/464091629.db2.gz RIBMSSFREQGNQV-MAUKXSAKSA-N 1 2 327.428 2.433 20 30 EEEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@H](C2CC2)O1 ZINC000279364970 464091636 /nfs/dbraw/zinc/09/16/36/464091636.db2.gz RIBMSSFREQGNQV-MAUKXSAKSA-N 1 2 327.428 2.433 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000591020237 468394893 /nfs/dbraw/zinc/39/48/93/468394893.db2.gz YVYCRAGRRMCNIB-MSOLQXFVSA-N 1 2 326.444 2.106 20 30 EEEDLO CC(=O)Nc1nc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292191650 464168762 /nfs/dbraw/zinc/16/87/62/464168762.db2.gz NELUYJXMJIZLTE-AWEZNQCLSA-N 1 2 343.412 2.021 20 30 EEEDLO CC(=O)Nc1nc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292191650 464168766 /nfs/dbraw/zinc/16/87/66/464168766.db2.gz NELUYJXMJIZLTE-AWEZNQCLSA-N 1 2 343.412 2.021 20 30 EEEDLO CC(C)[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1nc(C2CC2)no1 ZINC000179829073 464195406 /nfs/dbraw/zinc/19/54/06/464195406.db2.gz HEHXRICFWVJTKJ-PBHICJAKSA-N 1 2 333.436 2.288 20 30 EEEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N(C)Cc2[nH+]ccn2C)cc1 ZINC000271020758 464274109 /nfs/dbraw/zinc/27/41/09/464274109.db2.gz NUXGUSQCGKQBQV-MRXNPFEDSA-N 1 2 339.443 2.496 20 30 EEEDLO C=C[C@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000292650472 464299857 /nfs/dbraw/zinc/29/98/57/464299857.db2.gz YMRALKRUQZAJCC-KGLIPLIRSA-N 1 2 334.807 2.009 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N(C)Cc2ccccc2C)C1=O ZINC000281212982 464373684 /nfs/dbraw/zinc/37/36/84/464373684.db2.gz DHNKYCBTAKOUNH-WMZOPIPTSA-N 1 2 343.471 2.061 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N(C)Cc2ccccc2C)C1=O ZINC000281212982 464373687 /nfs/dbraw/zinc/37/36/87/464373687.db2.gz DHNKYCBTAKOUNH-WMZOPIPTSA-N 1 2 343.471 2.061 20 30 EEEDLO COc1cccc(C(N)=[NH+]OCC(=O)N[C@H](C)c2cccs2)c1 ZINC000174212135 464378012 /nfs/dbraw/zinc/37/80/12/464378012.db2.gz CNHHHALMUXNNPY-LLVKDONJSA-N 1 2 333.413 2.271 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)C1=O ZINC000281372898 464431819 /nfs/dbraw/zinc/43/18/19/464431819.db2.gz OPVYMVWJKNQBPR-HNNXBMFYSA-N 1 2 336.819 2.467 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)C1=O ZINC000281372898 464431822 /nfs/dbraw/zinc/43/18/22/464431822.db2.gz OPVYMVWJKNQBPR-HNNXBMFYSA-N 1 2 336.819 2.467 20 30 EEEDLO N#C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1cccc(Br)c1 ZINC000189365363 464486289 /nfs/dbraw/zinc/48/62/89/464486289.db2.gz CZIPKLFQWHQVAU-ZDUSSCGKSA-N 1 2 333.189 2.486 20 30 EEEDLO N#C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1cccc(Br)c1 ZINC000189365363 464486292 /nfs/dbraw/zinc/48/62/92/464486292.db2.gz CZIPKLFQWHQVAU-ZDUSSCGKSA-N 1 2 333.189 2.486 20 30 EEEDLO CCOC(=O)[C@H](CC(C)C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000182080971 464566650 /nfs/dbraw/zinc/56/66/50/464566650.db2.gz YMVXRVYFRKBRRY-INIZCTEOSA-N 1 2 330.432 2.053 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000281900258 464627638 /nfs/dbraw/zinc/62/76/38/464627638.db2.gz XCXWFWAROUZLMA-WBVHZDCISA-N 1 2 333.432 2.088 20 30 EEEDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)c1 ZINC000295379560 464809554 /nfs/dbraw/zinc/80/95/54/464809554.db2.gz TXHKKOJCEWUAGN-UHFFFAOYSA-N 1 2 349.500 2.382 20 30 EEEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)[C@@H](C(N)=O)C1 ZINC000248989173 464827590 /nfs/dbraw/zinc/82/75/90/464827590.db2.gz GWYYUWXWCOTFKN-IINYFYTJSA-N 1 2 336.233 2.407 20 30 EEEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)[C@@H](C(N)=O)C1 ZINC000248989173 464827594 /nfs/dbraw/zinc/82/75/94/464827594.db2.gz GWYYUWXWCOTFKN-IINYFYTJSA-N 1 2 336.233 2.407 20 30 EEEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000276414034 464923727 /nfs/dbraw/zinc/92/37/27/464923727.db2.gz LAZDUXNIPGPCAG-CSHXORCISA-N 1 2 339.439 2.141 20 30 EEEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000276414034 464923736 /nfs/dbraw/zinc/92/37/36/464923736.db2.gz LAZDUXNIPGPCAG-CSHXORCISA-N 1 2 339.439 2.141 20 30 EEEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@H](C)C(=O)NCCc1cccs1 ZINC000267474548 464933504 /nfs/dbraw/zinc/93/35/04/464933504.db2.gz WLXYAPHNMCGJEW-CHWSQXEVSA-N 1 2 341.477 2.145 20 30 EEEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000342392750 465318225 /nfs/dbraw/zinc/31/82/25/465318225.db2.gz JHCFXGXQOHUIAA-AWEZNQCLSA-N 1 2 338.473 2.114 20 30 EEEDLO C[C@@H]1COc2ccccc2CN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329647709 465396925 /nfs/dbraw/zinc/39/69/25/465396925.db2.gz DYBJGWCHGOPJHR-TZMCWYRMSA-N 1 2 326.400 2.464 20 30 EEEDLO C[C@@H]1COc2ccccc2CN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329647709 465396930 /nfs/dbraw/zinc/39/69/30/465396930.db2.gz DYBJGWCHGOPJHR-TZMCWYRMSA-N 1 2 326.400 2.464 20 30 EEEDLO C[C@H](NC(=O)NCc1nccn1CC(F)(F)F)C1=CC[N@H+](C)CC1 ZINC000329711361 465412635 /nfs/dbraw/zinc/41/26/35/465412635.db2.gz OMHSOLKQFPXANX-NSHDSACASA-N 1 2 345.369 2.099 20 30 EEEDLO C[C@H](NC(=O)NCc1nccn1CC(F)(F)F)C1=CC[N@@H+](C)CC1 ZINC000329711361 465412637 /nfs/dbraw/zinc/41/26/37/465412637.db2.gz OMHSOLKQFPXANX-NSHDSACASA-N 1 2 345.369 2.099 20 30 EEEDLO CCN1CCN(C(=O)NC[C@@H]2CCCCS2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329943731 465482746 /nfs/dbraw/zinc/48/27/46/465482746.db2.gz DTLTWYDICOSFAM-UONOGXRCSA-N 1 2 337.493 2.288 20 30 EEEDLO CN1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CC1=O ZINC000329981973 465495159 /nfs/dbraw/zinc/49/51/59/465495159.db2.gz OHFGBTJQNYXJOM-AVGNSLFASA-N 1 2 339.436 2.095 20 30 EEEDLO CN1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CC1=O ZINC000329981973 465495165 /nfs/dbraw/zinc/49/51/65/465495165.db2.gz OHFGBTJQNYXJOM-AVGNSLFASA-N 1 2 339.436 2.095 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000339764179 465496643 /nfs/dbraw/zinc/49/66/43/465496643.db2.gz RZQYCSOIINAWFG-KRWDZBQOSA-N 1 2 330.428 2.322 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000339764179 465496649 /nfs/dbraw/zinc/49/66/49/465496649.db2.gz RZQYCSOIINAWFG-KRWDZBQOSA-N 1 2 330.428 2.322 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000352232551 465508070 /nfs/dbraw/zinc/50/80/70/465508070.db2.gz SVZKXDNJKYFSTI-QGZVFWFLSA-N 1 2 343.471 2.192 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000337677972 465513842 /nfs/dbraw/zinc/51/38/42/465513842.db2.gz GOUJWTCFINVCIV-UHFFFAOYSA-N 1 2 342.418 2.020 20 30 EEEDLO CCN1CCN(C(=O)Nc2ccccc2OC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330072783 465525053 /nfs/dbraw/zinc/52/50/53/465525053.db2.gz ZHSZBKSFDQSWBG-CQSZACIVSA-N 1 2 329.404 2.343 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000330076911 465526186 /nfs/dbraw/zinc/52/61/86/465526186.db2.gz MOJPQFBMDBFPSI-FHSNZYRGSA-N 1 2 348.399 2.272 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000330076911 465526191 /nfs/dbraw/zinc/52/61/91/465526191.db2.gz MOJPQFBMDBFPSI-FHSNZYRGSA-N 1 2 348.399 2.272 20 30 EEEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352483834 465533920 /nfs/dbraw/zinc/53/39/20/465533920.db2.gz JXTHQZJHZAJDPS-GFCCVEGCSA-N 1 2 339.361 2.340 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)N(C)c1nccs1)Cc1ccc(CO)o1 ZINC000352889748 465564860 /nfs/dbraw/zinc/56/48/60/465564860.db2.gz YZSSXOWHAZVENG-UHFFFAOYSA-N 1 2 335.429 2.270 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)N(C)c1nccs1)Cc1ccc(CO)o1 ZINC000352889748 465564863 /nfs/dbraw/zinc/56/48/63/465564863.db2.gz YZSSXOWHAZVENG-UHFFFAOYSA-N 1 2 335.429 2.270 20 30 EEEDLO C[C@@H]1CCC[C@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)[C@@H]1C ZINC000330341510 465622173 /nfs/dbraw/zinc/62/21/73/465622173.db2.gz ZIDMEKSFKXCXNO-WCVJEAGWSA-N 1 2 333.480 2.447 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(OCC(F)(F)F)c1 ZINC000569232056 468459977 /nfs/dbraw/zinc/45/99/77/468459977.db2.gz HCIBCRYXSZKOEC-CYBMUJFWSA-N 1 2 331.338 2.246 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000345836429 465907512 /nfs/dbraw/zinc/90/75/12/465907512.db2.gz TZONSPUWRICWLS-MJGOQNOKSA-N 1 2 344.455 2.321 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(OCC(F)(F)F)c1 ZINC000569232056 468459983 /nfs/dbraw/zinc/45/99/83/468459983.db2.gz HCIBCRYXSZKOEC-CYBMUJFWSA-N 1 2 331.338 2.246 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Cl)cc2)C1 ZINC000594017841 468463216 /nfs/dbraw/zinc/46/32/16/468463216.db2.gz LRSVEOHCGXGGNQ-QLFBSQMISA-N 1 2 337.803 2.256 20 30 EEEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Cl)cc2)C1 ZINC000594017841 468463222 /nfs/dbraw/zinc/46/32/22/468463222.db2.gz LRSVEOHCGXGGNQ-QLFBSQMISA-N 1 2 337.803 2.256 20 30 EEEDLO Cc1onc(CC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)c1C#N ZINC000353876299 466223461 /nfs/dbraw/zinc/22/34/61/466223461.db2.gz YFXHHFXUNKPAEY-HNNXBMFYSA-N 1 2 348.353 2.095 20 30 EEEDLO Cc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1OCC(F)F ZINC000580829268 468484047 /nfs/dbraw/zinc/48/40/47/468484047.db2.gz GXVDPNAYQAAKGU-CQSZACIVSA-N 1 2 327.375 2.257 20 30 EEEDLO Cc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1OCC(F)F ZINC000580829268 468484053 /nfs/dbraw/zinc/48/40/53/468484053.db2.gz GXVDPNAYQAAKGU-CQSZACIVSA-N 1 2 327.375 2.257 20 30 EEEDLO Cc1nsc(N2CC[NH+]([C@H](C)c3cnc(C)cn3)CC2)c1C#N ZINC000332465358 466543589 /nfs/dbraw/zinc/54/35/89/466543589.db2.gz QMSXLUHYBGHCEO-CYBMUJFWSA-N 1 2 328.445 2.305 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NC1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000375356430 466837377 /nfs/dbraw/zinc/83/73/77/466837377.db2.gz ZRCKETOBFPVGBU-GOSISDBHSA-N 1 2 332.448 2.099 20 30 EEEDLO Cc1ccc(N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2ccnn2C)nc1C#N ZINC000377180775 467046980 /nfs/dbraw/zinc/04/69/80/467046980.db2.gz XMVLBTMOBLFJAC-HOCLYGCPSA-N 1 2 342.422 2.044 20 30 EEEDLO Cc1ccc(N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2ccnn2C)nc1C#N ZINC000377180775 467046984 /nfs/dbraw/zinc/04/69/84/467046984.db2.gz XMVLBTMOBLFJAC-HOCLYGCPSA-N 1 2 342.422 2.044 20 30 EEEDLO CCC[N@H+](CC(N)=O)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000429138858 467304616 /nfs/dbraw/zinc/30/46/16/467304616.db2.gz DNJWTPHYZRKTDP-ZDUSSCGKSA-N 1 2 348.472 2.217 20 30 EEEDLO CCC[N@@H+](CC(N)=O)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000429138858 467304619 /nfs/dbraw/zinc/30/46/19/467304619.db2.gz DNJWTPHYZRKTDP-ZDUSSCGKSA-N 1 2 348.472 2.217 20 30 EEEDLO CC(F)(F)CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000455113828 467635427 /nfs/dbraw/zinc/63/54/27/467635427.db2.gz BYMKGPBUEPUELJ-UHFFFAOYSA-N 1 2 336.386 2.431 20 30 EEEDLO COC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000525251523 467641719 /nfs/dbraw/zinc/64/17/19/467641719.db2.gz BJCYZDDPTGHMKP-SFHVURJKSA-N 1 2 344.459 2.056 20 30 EEEDLO C=C(C)CCNC(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000455307105 467661998 /nfs/dbraw/zinc/66/19/98/467661998.db2.gz HWOCSJOSZAUXBZ-UHFFFAOYSA-N 1 2 347.459 2.497 20 30 EEEDLO C#CC[C@]1(C(=O)N(C)Cc2[nH]cc[nH+]2)CCCN1C(=O)OC(C)(C)C ZINC000496604511 467671002 /nfs/dbraw/zinc/67/10/02/467671002.db2.gz MTYQRPGAXAXEBF-GOSISDBHSA-N 1 2 346.431 2.161 20 30 EEEDLO C[C@H]1C[C@]1(C#N)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000450144811 467786713 /nfs/dbraw/zinc/78/67/13/467786713.db2.gz HTVOJACSVRNCHQ-KBXCAEBGSA-N 1 2 346.862 2.128 20 30 EEEDLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNc1ncc(C#N)cc1F ZINC000497236374 467898909 /nfs/dbraw/zinc/89/89/09/467898909.db2.gz MNMOCFQSZGMJIN-ZDUSSCGKSA-N 1 2 349.410 2.055 20 30 EEEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNc1ncc(C#N)cc1F ZINC000497236374 467898913 /nfs/dbraw/zinc/89/89/13/467898913.db2.gz MNMOCFQSZGMJIN-ZDUSSCGKSA-N 1 2 349.410 2.055 20 30 EEEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000493614221 467949173 /nfs/dbraw/zinc/94/91/73/467949173.db2.gz HVNGELZKLNQJGQ-ZEVQVBBLSA-N 1 2 347.422 2.094 20 30 EEEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000493614221 467949176 /nfs/dbraw/zinc/94/91/76/467949176.db2.gz HVNGELZKLNQJGQ-ZEVQVBBLSA-N 1 2 347.422 2.094 20 30 EEEDLO Cc1nn(C)c(N2CC[NH+](Cc3cccc(F)c3F)CC2)c1C#N ZINC000471811697 467975975 /nfs/dbraw/zinc/97/59/75/467975975.db2.gz PJFGOXTVDJJMDM-UHFFFAOYSA-N 1 2 331.370 2.201 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000488937647 468112414 /nfs/dbraw/zinc/11/24/14/468112414.db2.gz GIIVITKYVMNIAJ-UHFFFAOYSA-N 1 2 330.457 2.397 20 30 EEEDLO C[C@@H](CCC#N)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496255889 468126373 /nfs/dbraw/zinc/12/63/73/468126373.db2.gz RJLHKFLEMWTXOP-JKSUJKDBSA-N 1 2 336.480 2.306 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000567545407 468172634 /nfs/dbraw/zinc/17/26/34/468172634.db2.gz FFZPPPJFSSPKSM-HOTGVXAUSA-N 1 2 337.508 2.378 20 30 EEEDLO O=C(NCC#Cc1cccc(F)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000549208964 468176487 /nfs/dbraw/zinc/17/64/87/468176487.db2.gz ZYBBGZMQYFTFBT-QGZVFWFLSA-N 1 2 326.375 2.248 20 30 EEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000533342441 468192357 /nfs/dbraw/zinc/19/23/57/468192357.db2.gz ZIXMSNNNMHYJSI-JTQLQIEISA-N 1 2 335.205 2.191 20 30 EEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000533342441 468192366 /nfs/dbraw/zinc/19/23/66/468192366.db2.gz ZIXMSNNNMHYJSI-JTQLQIEISA-N 1 2 335.205 2.191 20 30 EEEDLO COc1cccc(C[NH+]2CCN(c3cnccc3C#N)CC2)c1F ZINC000590053262 468209137 /nfs/dbraw/zinc/20/91/37/468209137.db2.gz IGEVNULANPECND-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](CCOc2ccccc2Br)C1 ZINC000592152345 468641151 /nfs/dbraw/zinc/64/11/51/468641151.db2.gz XQBDSLXAAFXVOL-CQSZACIVSA-N 1 2 325.206 2.178 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](CCOc2ccccc2Br)C1 ZINC000592152345 468641156 /nfs/dbraw/zinc/64/11/56/468641156.db2.gz XQBDSLXAAFXVOL-CQSZACIVSA-N 1 2 325.206 2.178 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000592152077 468641478 /nfs/dbraw/zinc/64/14/78/468641478.db2.gz TYLWPRKFOXRPNZ-LHSJRXKWSA-N 1 2 347.267 2.451 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000592152077 468641480 /nfs/dbraw/zinc/64/14/80/468641480.db2.gz TYLWPRKFOXRPNZ-LHSJRXKWSA-N 1 2 347.267 2.451 20 30 EEEDLO COc1ccc(-c2ccc(N3CCC[C@H](C(N)=O)C3)[nH+]c2)cc1C#N ZINC000600788747 468658472 /nfs/dbraw/zinc/65/84/72/468658472.db2.gz MDZDPOOBSFFPCJ-HNNXBMFYSA-N 1 2 336.395 2.331 20 30 EEEDLO CC(C)(C)OCc1cc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)no1 ZINC000570720392 468682707 /nfs/dbraw/zinc/68/27/07/468682707.db2.gz FHALHXYTWDGDGO-UHFFFAOYSA-N 1 2 340.387 2.194 20 30 EEEDLO N#CC[C@H]1CCCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000597914764 468710027 /nfs/dbraw/zinc/71/00/27/468710027.db2.gz YREZWIIROZJUDZ-MRXNPFEDSA-N 1 2 327.428 2.285 20 30 EEEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000583573416 468718667 /nfs/dbraw/zinc/71/86/67/468718667.db2.gz TZKUFSUWOMUZIE-GFCCVEGCSA-N 1 2 329.322 2.483 20 30 EEEDLO C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[C@@H](C)CO1 ZINC000597998712 468735755 /nfs/dbraw/zinc/73/57/55/468735755.db2.gz VJUWBKKPWPHQDS-UONOGXRCSA-N 1 2 347.434 2.200 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[C@@H](C)CO1 ZINC000597998712 468735759 /nfs/dbraw/zinc/73/57/59/468735759.db2.gz VJUWBKKPWPHQDS-UONOGXRCSA-N 1 2 347.434 2.200 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc(-c2ccccc2Cl)nc1 ZINC000593153241 468888224 /nfs/dbraw/zinc/88/82/24/468888224.db2.gz GORVAXNQFUFEOH-QGZVFWFLSA-N 1 2 343.818 2.371 20 30 EEEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598593019 468926110 /nfs/dbraw/zinc/92/61/10/468926110.db2.gz QBSQHKZEJWQMTG-IRXDYDNUSA-N 1 2 332.444 2.393 20 30 EEEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598593019 468926115 /nfs/dbraw/zinc/92/61/15/468926115.db2.gz QBSQHKZEJWQMTG-IRXDYDNUSA-N 1 2 332.444 2.393 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1)C1CC1 ZINC000562285022 468930847 /nfs/dbraw/zinc/93/08/47/468930847.db2.gz NCGWDPAYMJARIC-SFHVURJKSA-N 1 2 325.412 2.048 20 30 EEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1)C1CC1 ZINC000562285022 468930849 /nfs/dbraw/zinc/93/08/49/468930849.db2.gz NCGWDPAYMJARIC-SFHVURJKSA-N 1 2 325.412 2.048 20 30 EEEDLO COC(=O)[C@H]([NH2+]CCOc1ccccc1C#N)[C@H]1CCC[C@H](OC)C1 ZINC000573124224 469067280 /nfs/dbraw/zinc/06/72/80/469067280.db2.gz WCASTAHTNDHPFD-QILLFSRXSA-N 1 2 346.427 2.273 20 30 EEEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000614924739 469096448 /nfs/dbraw/zinc/09/64/48/469096448.db2.gz LGVMJMIXILGCHB-BPLDGKMQSA-N 1 2 349.397 2.473 20 30 EEEDLO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000614924739 469096451 /nfs/dbraw/zinc/09/64/51/469096451.db2.gz LGVMJMIXILGCHB-BPLDGKMQSA-N 1 2 349.397 2.473 20 30 EEEDLO C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000588151791 469122774 /nfs/dbraw/zinc/12/27/74/469122774.db2.gz WLSURIUMLSODGH-MPGHIAIKSA-N 1 2 342.443 2.124 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000603013782 469221754 /nfs/dbraw/zinc/22/17/54/469221754.db2.gz JDZGKRVTZXQRKB-KXBFYZLASA-N 1 2 346.450 2.391 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)nc1 ZINC000563355912 469236738 /nfs/dbraw/zinc/23/67/38/469236738.db2.gz OHIZHUIPBQLBCJ-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)nc1 ZINC000563355912 469236741 /nfs/dbraw/zinc/23/67/41/469236741.db2.gz OHIZHUIPBQLBCJ-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO N#Cc1cc(NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)ccn1 ZINC000603126714 469275162 /nfs/dbraw/zinc/27/51/62/469275162.db2.gz ARLXBCLGRADSBQ-UHFFFAOYSA-N 1 2 342.428 2.150 20 30 EEEDLO N#Cc1cc(NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)ccn1 ZINC000603126714 469275164 /nfs/dbraw/zinc/27/51/64/469275164.db2.gz ARLXBCLGRADSBQ-UHFFFAOYSA-N 1 2 342.428 2.150 20 30 EEEDLO CC1(C)C[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1c1cccnc1 ZINC000596589639 469307471 /nfs/dbraw/zinc/30/74/71/469307471.db2.gz AKBQLFKGONDKFH-QGZVFWFLSA-N 1 2 325.416 2.120 20 30 EEEDLO CC1(C)C[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1c1cccnc1 ZINC000596589639 469307475 /nfs/dbraw/zinc/30/74/75/469307475.db2.gz AKBQLFKGONDKFH-QGZVFWFLSA-N 1 2 325.416 2.120 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1C#N ZINC000615806942 469319316 /nfs/dbraw/zinc/31/93/16/469319316.db2.gz VYYZIQDNPKFUFD-QOKNQOGYSA-N 1 2 349.438 2.138 20 30 EEEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1C#N ZINC000615806942 469319321 /nfs/dbraw/zinc/31/93/21/469319321.db2.gz VYYZIQDNPKFUFD-QOKNQOGYSA-N 1 2 349.438 2.138 20 30 EEEDLO C=C[C@@H](C(=O)OC)n1cc(Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000603238829 469319341 /nfs/dbraw/zinc/31/93/41/469319341.db2.gz ZDCVVXFHMWMKDZ-HNNXBMFYSA-N 1 2 325.372 2.193 20 30 EEEDLO COc1cc(NC(=O)C[N@H+](C)Cc2cccc(C#N)n2)cc(OC)c1 ZINC000602482897 469335638 /nfs/dbraw/zinc/33/56/38/469335638.db2.gz IWSBYHCYLIZYQP-UHFFFAOYSA-N 1 2 340.383 2.041 20 30 EEEDLO COc1cc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)n2)cc(OC)c1 ZINC000602482897 469335641 /nfs/dbraw/zinc/33/56/41/469335641.db2.gz IWSBYHCYLIZYQP-UHFFFAOYSA-N 1 2 340.383 2.041 20 30 EEEDLO N#Cc1ccc(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cc1Cl ZINC000619780967 469680749 /nfs/dbraw/zinc/68/07/49/469680749.db2.gz MSOQHJBMKUDBLX-KRWDZBQOSA-N 1 2 347.846 2.471 20 30 EEEDLO N#Cc1ccc(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cc1Cl ZINC000619780967 469680755 /nfs/dbraw/zinc/68/07/55/469680755.db2.gz MSOQHJBMKUDBLX-KRWDZBQOSA-N 1 2 347.846 2.471 20 30 EEEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000610422463 470013707 /nfs/dbraw/zinc/01/37/07/470013707.db2.gz GPNWBMDCAQUQLW-INIZCTEOSA-N 1 2 338.367 2.015 20 30 EEEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000610422463 470013708 /nfs/dbraw/zinc/01/37/08/470013708.db2.gz GPNWBMDCAQUQLW-INIZCTEOSA-N 1 2 338.367 2.015 20 30 EEEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000621279480 470023616 /nfs/dbraw/zinc/02/36/16/470023616.db2.gz VHUHHDLEFHUNHZ-UONOGXRCSA-N 1 2 336.457 2.322 20 30 EEEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000621279480 470023619 /nfs/dbraw/zinc/02/36/19/470023619.db2.gz VHUHHDLEFHUNHZ-UONOGXRCSA-N 1 2 336.457 2.322 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2cccc(Cl)c2)nn1 ZINC000640783796 471027127 /nfs/dbraw/zinc/02/71/27/471027127.db2.gz VJBNNLVHZIEXLL-GFCCVEGCSA-N 1 2 331.807 2.244 20 30 EEEDLO C=CCCn1cc(C[NH2+]Cc2ccc(-n3nc(C)cc3C)nc2)nn1 ZINC000657316090 471096659 /nfs/dbraw/zinc/09/66/59/471096659.db2.gz XDECEORRMAXOAI-UHFFFAOYSA-N 1 2 337.431 2.342 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nn1 ZINC000657486006 471150560 /nfs/dbraw/zinc/15/05/60/471150560.db2.gz QJUKXOMVRLPVJX-LSDHHAIUSA-N 1 2 339.443 2.310 20 30 EEEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000658523102 471316535 /nfs/dbraw/zinc/31/65/35/471316535.db2.gz FNEBNCVZZGWKBO-HUUCEWRRSA-N 1 2 330.432 2.278 20 30 EEEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000658703989 471372527 /nfs/dbraw/zinc/37/25/27/471372527.db2.gz VXQQAHODWKQXPF-BBWFWOEESA-N 1 2 344.459 2.107 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000664078341 471631111 /nfs/dbraw/zinc/63/11/11/471631111.db2.gz LWBSYLRBCZPHJV-HOTGVXAUSA-N 1 2 347.459 2.160 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000664078341 471631117 /nfs/dbraw/zinc/63/11/17/471631117.db2.gz LWBSYLRBCZPHJV-HOTGVXAUSA-N 1 2 347.459 2.160 20 30 EEEDLO C=CCNC(=O)C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000181132216 526569148 /nfs/dbraw/zinc/56/91/48/526569148.db2.gz JMDBDMVGANSXIR-UHFFFAOYSA-N 1 2 336.798 2.365 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000091843068 526587419 /nfs/dbraw/zinc/58/74/19/526587419.db2.gz XPSXWICOLUEODW-UHFFFAOYSA-N 1 2 333.819 2.441 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000091843068 526587429 /nfs/dbraw/zinc/58/74/29/526587429.db2.gz XPSXWICOLUEODW-UHFFFAOYSA-N 1 2 333.819 2.441 20 30 EEEDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000177997394 528010070 /nfs/dbraw/zinc/01/00/70/528010070.db2.gz MVYWPMOKBBHGCZ-UHFFFAOYSA-N 1 2 341.864 2.174 20 30 EEEDLO N#CCCN(C(=O)C[N@@H+]1CCCC[C@@H]1C1OCCO1)c1ccccc1 ZINC000726881796 576306746 /nfs/dbraw/zinc/30/67/46/576306746.db2.gz WZFWWGBQKZYDPK-QGZVFWFLSA-N 1 2 343.427 2.161 20 30 EEEDLO N#CCCN(C(=O)C[N@H+]1CCCC[C@@H]1C1OCCO1)c1ccccc1 ZINC000726881796 576306749 /nfs/dbraw/zinc/30/67/49/576306749.db2.gz WZFWWGBQKZYDPK-QGZVFWFLSA-N 1 2 343.427 2.161 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2OC)nc1 ZINC000728803004 576530984 /nfs/dbraw/zinc/53/09/84/576530984.db2.gz LCQZJLOZNHMNNZ-GOSISDBHSA-N 1 2 346.390 2.324 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(OCC)cc3)CC2)cn1 ZINC000728857895 576544949 /nfs/dbraw/zinc/54/49/49/576544949.db2.gz ZQSRNMSIFXXCHT-UHFFFAOYSA-N 1 2 349.434 2.420 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)nc1 ZINC000729922321 576692811 /nfs/dbraw/zinc/69/28/11/576692811.db2.gz PMMOPCNGGILMBZ-UHFFFAOYSA-N 1 2 340.452 2.176 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)nc1 ZINC000729922321 576692813 /nfs/dbraw/zinc/69/28/13/576692813.db2.gz PMMOPCNGGILMBZ-UHFFFAOYSA-N 1 2 340.452 2.176 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3nc(C)c(C)o3)CC2)cn1 ZINC000729922260 576692828 /nfs/dbraw/zinc/69/28/28/576692828.db2.gz JNVBBNCUZRLTFY-UHFFFAOYSA-N 1 2 338.411 2.016 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](Cc3nc(C)c(C)o3)CC2)cn1 ZINC000729922260 576692830 /nfs/dbraw/zinc/69/28/30/576692830.db2.gz JNVBBNCUZRLTFY-UHFFFAOYSA-N 1 2 338.411 2.016 20 30 EEEDLO C[C@@H](OC(=O)c1ccc2[nH+]ccn2c1)C(=O)Nc1cccc(C#N)c1 ZINC000731907008 577132243 /nfs/dbraw/zinc/13/22/43/577132243.db2.gz BLWSZHALEUICGN-GFCCVEGCSA-N 1 2 334.335 2.390 20 30 EEEDLO CC(C)(CN[NH+]=Cc1ccc(N2CCCCC2)o1)S(C)(=O)=O ZINC000774488766 577400916 /nfs/dbraw/zinc/40/09/16/577400916.db2.gz OZJRRAQVVOSNLT-UHFFFAOYSA-N 1 2 327.450 2.017 20 30 EEEDLO C=CC[N@H+](Cc1ccccc1)CN1C[C@](C)(C(=O)OCC)CC1=O ZINC000774550643 577403451 /nfs/dbraw/zinc/40/34/51/577403451.db2.gz NKBJEPCZQMZGAZ-LJQANCHMSA-N 1 2 330.428 2.434 20 30 EEEDLO C=CC[N@@H+](Cc1ccccc1)CN1C[C@](C)(C(=O)OCC)CC1=O ZINC000774550643 577403453 /nfs/dbraw/zinc/40/34/53/577403453.db2.gz NKBJEPCZQMZGAZ-LJQANCHMSA-N 1 2 330.428 2.434 20 30 EEEDLO C#C[C@@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@@H]1CCCO1 ZINC000775794261 577445896 /nfs/dbraw/zinc/44/58/96/577445896.db2.gz ZBGWIRQGZJKRNC-CVEARBPZSA-N 1 2 341.436 2.179 20 30 EEEDLO Nc1ncccc1C=[NH+]Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000764683726 577486637 /nfs/dbraw/zinc/48/66/37/577486637.db2.gz UDFPYXIFTYBHSD-UHFFFAOYSA-N 1 2 344.318 2.403 20 30 EEEDLO c1cnn(-c2ccc(CN=Nc3ccc(-n4cc[nH+]c4)nn3)cc2)c1 ZINC000761837403 577689912 /nfs/dbraw/zinc/68/99/12/577689912.db2.gz FJBXHOZYHBMHIQ-UHFFFAOYSA-N 1 2 330.355 2.294 20 30 EEEDLO C#CC[N@@H+](CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)C1CC1 ZINC000763948592 577728488 /nfs/dbraw/zinc/72/84/88/577728488.db2.gz ALJPXNWTQXVKCF-UHFFFAOYSA-N 1 2 345.874 2.082 20 30 EEEDLO C#CC[N@H+](CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)C1CC1 ZINC000763948592 577728489 /nfs/dbraw/zinc/72/84/89/577728489.db2.gz ALJPXNWTQXVKCF-UHFFFAOYSA-N 1 2 345.874 2.082 20 30 EEEDLO CC(=[NH+]N[C@H]1CCS(=O)(=O)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000754693730 577810971 /nfs/dbraw/zinc/81/09/71/577810971.db2.gz JIPCBWFHAVXRJB-VIFPVBQESA-N 1 2 336.244 2.076 20 30 EEEDLO CCOc1ccccc1C1N=NC(=S)N1N=Cc1c[nH+]cn1C ZINC000755599822 577827678 /nfs/dbraw/zinc/82/76/78/577827678.db2.gz VATJXPGVTAXVMD-UHFFFAOYSA-N 1 2 328.401 2.248 20 30 EEEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1c(F)cccc1F ZINC000755733207 577830125 /nfs/dbraw/zinc/83/01/25/577830125.db2.gz NMYBTEPOOLWKKV-UHFFFAOYSA-N 1 2 335.358 2.289 20 30 EEEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)c1=S ZINC000755927345 577834704 /nfs/dbraw/zinc/83/47/04/577834704.db2.gz AJSSWPBXMXEFGI-DGCLKSJQSA-N 1 2 336.461 2.176 20 30 EEEDLO C=CCn1c(C2CC2)nn(C[N@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)c1=S ZINC000755927345 577834705 /nfs/dbraw/zinc/83/47/05/577834705.db2.gz AJSSWPBXMXEFGI-DGCLKSJQSA-N 1 2 336.461 2.176 20 30 EEEDLO C#CCN(CC#CC)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000745825057 577919106 /nfs/dbraw/zinc/91/91/06/577919106.db2.gz CNZWPTXGAACXRF-MRXNPFEDSA-N 1 2 333.382 2.236 20 30 EEEDLO CN(Cc1ccccc1F)C(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000747827046 577950842 /nfs/dbraw/zinc/95/08/42/577950842.db2.gz JDQMQIMDIBGQOD-UHFFFAOYSA-N 1 2 333.338 2.260 20 30 EEEDLO C[C@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000741148192 578113705 /nfs/dbraw/zinc/11/37/05/578113705.db2.gz YPOFNOIASKRPIF-DOTOQJQBSA-N 1 2 343.427 2.349 20 30 EEEDLO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000741148192 578113706 /nfs/dbraw/zinc/11/37/06/578113706.db2.gz YPOFNOIASKRPIF-DOTOQJQBSA-N 1 2 343.427 2.349 20 30 EEEDLO C[C@@H](NC(=O)C1CCOCC1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969195856 674682886 /nfs/dbraw/zinc/68/28/86/674682886.db2.gz MEVTVVWGLKQAEF-CYBMUJFWSA-N 1 2 345.418 2.060 20 30 EEEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC000969526719 675092511 /nfs/dbraw/zinc/09/25/11/675092511.db2.gz OGTOBHRMPLEQGL-NSHDSACASA-N 1 2 343.818 2.185 20 30 EEEDLO C[C@H](NC(=O)[C@H]1CC1(F)F)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969633786 675138724 /nfs/dbraw/zinc/13/87/24/675138724.db2.gz SIBGWCJZODDKCW-IINYFYTJSA-N 1 2 337.345 2.289 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC000970448158 675902183 /nfs/dbraw/zinc/90/21/83/675902183.db2.gz XCRRHCIFTCJJJD-WQVCFCJDSA-N 1 2 349.862 2.263 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnc3ccccc3n2)C1 ZINC000969842067 675244099 /nfs/dbraw/zinc/24/40/99/675244099.db2.gz NMELUFNVEOSRKE-GFCCVEGCSA-N 1 2 330.819 2.432 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC000970066790 675440395 /nfs/dbraw/zinc/44/03/95/675440395.db2.gz JLZFITQJIMVDIT-LBPRGKRZSA-N 1 2 347.846 2.008 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc3oc(=O)[nH]c32)C1 ZINC000970165178 675608379 /nfs/dbraw/zinc/60/83/79/675608379.db2.gz BAPQHNQDYSBRLI-JTQLQIEISA-N 1 2 335.791 2.336 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC000970207058 675705202 /nfs/dbraw/zinc/70/52/02/675705202.db2.gz QKMPOAKLBCBILY-NSHDSACASA-N 1 2 334.807 2.472 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](CC)OC3CCCC3)CC2)C1 ZINC000949486650 676425316 /nfs/dbraw/zinc/42/53/16/676425316.db2.gz DFTMLGXOSSODPX-GOSISDBHSA-N 1 2 348.487 2.051 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](CC)OC3CCCC3)CC2)C1 ZINC000949486650 676425317 /nfs/dbraw/zinc/42/53/17/676425317.db2.gz DFTMLGXOSSODPX-GOSISDBHSA-N 1 2 348.487 2.051 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2cc[nH]c2C)C1 ZINC000971301304 676476670 /nfs/dbraw/zinc/47/66/70/676476670.db2.gz PEDOFUFSRACLPM-LBPRGKRZSA-N 1 2 326.238 2.378 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2cc[nH]c2C)C1 ZINC000971301304 676476669 /nfs/dbraw/zinc/47/66/69/676476669.db2.gz PEDOFUFSRACLPM-LBPRGKRZSA-N 1 2 326.238 2.378 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cc[nH]c2C)C1 ZINC000971301302 676476747 /nfs/dbraw/zinc/47/67/47/676476747.db2.gz PEDOFUFSRACLPM-GFCCVEGCSA-N 1 2 326.238 2.378 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2cc[nH]c2C)C1 ZINC000971301302 676476749 /nfs/dbraw/zinc/47/67/49/676476749.db2.gz PEDOFUFSRACLPM-GFCCVEGCSA-N 1 2 326.238 2.378 20 30 EEEDLO Cc1nc(N2C[C@@H]3CCN(C(=O)[C@H](C)C#N)CC[C@@H]3C2)c(C)c(C)[nH+]1 ZINC001067452845 676584487 /nfs/dbraw/zinc/58/44/87/676584487.db2.gz HNXRSRVBFGNEHU-JLZZUVOBSA-N 1 2 341.459 2.236 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC000971575892 676630474 /nfs/dbraw/zinc/63/04/74/676630474.db2.gz KDRAAICLNFOVRO-OAHLLOKOSA-N 1 2 336.867 2.047 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC000971575892 676630476 /nfs/dbraw/zinc/63/04/76/676630476.db2.gz KDRAAICLNFOVRO-OAHLLOKOSA-N 1 2 336.867 2.047 20 30 EEEDLO C=C1CCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000891605680 676715059 /nfs/dbraw/zinc/71/50/59/676715059.db2.gz BGQFFHSWZMYBLG-UHFFFAOYSA-N 1 2 329.444 2.380 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC000972375667 678623547 /nfs/dbraw/zinc/62/35/47/678623547.db2.gz LBVITKUBUDWNPU-OAGGEKHMSA-N 1 2 349.500 2.329 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC000972375667 678623550 /nfs/dbraw/zinc/62/35/50/678623550.db2.gz LBVITKUBUDWNPU-OAGGEKHMSA-N 1 2 349.500 2.329 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)c(F)cc3F)C2)C1 ZINC000972426972 678723734 /nfs/dbraw/zinc/72/37/34/678723734.db2.gz YBHKRYWQIWDCLM-SFHVURJKSA-N 1 2 336.382 2.376 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)c(F)cc3F)C2)C1 ZINC000972426972 678723735 /nfs/dbraw/zinc/72/37/35/678723735.db2.gz YBHKRYWQIWDCLM-SFHVURJKSA-N 1 2 336.382 2.376 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(C)c(OC)c3)C2)C1 ZINC000972457394 678786263 /nfs/dbraw/zinc/78/62/63/678786263.db2.gz CIFWFSLPCSYPEB-HXUWFJFHSA-N 1 2 344.455 2.035 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(C)c(OC)c3)C2)C1 ZINC000972457394 678786267 /nfs/dbraw/zinc/78/62/67/678786267.db2.gz CIFWFSLPCSYPEB-HXUWFJFHSA-N 1 2 344.455 2.035 20 30 EEEDLO C=CC(C)(C)NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000892332832 679092331 /nfs/dbraw/zinc/09/23/31/679092331.db2.gz CNOVQLXNIRAONQ-UHFFFAOYSA-N 1 2 347.459 2.161 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCC3(F)F)C2)C1 ZINC000972516640 679136580 /nfs/dbraw/zinc/13/65/80/679136580.db2.gz BAQRLNONNJSPOU-HOCLYGCPSA-N 1 2 328.403 2.301 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCC3(F)F)C2)C1 ZINC000972516640 679136581 /nfs/dbraw/zinc/13/65/81/679136581.db2.gz BAQRLNONNJSPOU-HOCLYGCPSA-N 1 2 328.403 2.301 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 ZINC000972526833 679171168 /nfs/dbraw/zinc/17/11/68/679171168.db2.gz NKVOAXRWUQOPBC-LJQANCHMSA-N 1 2 325.412 2.271 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 ZINC000972526833 679171169 /nfs/dbraw/zinc/17/11/69/679171169.db2.gz NKVOAXRWUQOPBC-LJQANCHMSA-N 1 2 325.412 2.271 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(C)c(C)o2)C1 ZINC000972528682 679181615 /nfs/dbraw/zinc/18/16/15/679181615.db2.gz AEVDPASOGSFMEB-RYRKJORJSA-N 1 2 347.459 2.305 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(C)c(C)o2)C1 ZINC000972528682 679181616 /nfs/dbraw/zinc/18/16/16/679181616.db2.gz AEVDPASOGSFMEB-RYRKJORJSA-N 1 2 347.459 2.305 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](c3ccccc3)C(C)C)C2)C1 ZINC000972570155 679323469 /nfs/dbraw/zinc/32/34/69/679323469.db2.gz TYEMYYKMVAEELX-PZJWPPBQSA-N 1 2 340.467 2.363 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](c3ccccc3)C(C)C)C2)C1 ZINC000972570155 679323470 /nfs/dbraw/zinc/32/34/70/679323470.db2.gz TYEMYYKMVAEELX-PZJWPPBQSA-N 1 2 340.467 2.363 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)c3ccccc3C)C2)C1 ZINC000972580688 679345856 /nfs/dbraw/zinc/34/58/56/679345856.db2.gz AIOKRMCWRRJODI-GHTZIAJQSA-N 1 2 340.467 2.425 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)c3ccccc3C)C2)C1 ZINC000972580688 679345858 /nfs/dbraw/zinc/34/58/58/679345858.db2.gz AIOKRMCWRRJODI-GHTZIAJQSA-N 1 2 340.467 2.425 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)c3c(C)noc3C)C2)C1 ZINC000972598530 679400526 /nfs/dbraw/zinc/40/05/26/679400526.db2.gz GTCDNSUCWPYOFU-LPHOPBHVSA-N 1 2 347.459 2.274 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)c3c(C)noc3C)C2)C1 ZINC000972598530 679400528 /nfs/dbraw/zinc/40/05/28/679400528.db2.gz GTCDNSUCWPYOFU-LPHOPBHVSA-N 1 2 347.459 2.274 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)c3c(C)noc3C)C2)C1 ZINC000972598525 679400656 /nfs/dbraw/zinc/40/06/56/679400656.db2.gz GTCDNSUCWPYOFU-APWZRJJASA-N 1 2 347.459 2.274 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)c3c(C)noc3C)C2)C1 ZINC000972598525 679400658 /nfs/dbraw/zinc/40/06/58/679400658.db2.gz GTCDNSUCWPYOFU-APWZRJJASA-N 1 2 347.459 2.274 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)COc3ccccc3CC)C2)C1 ZINC000972658433 679522197 /nfs/dbraw/zinc/52/21/97/679522197.db2.gz FVQOJAVBGAIRGE-FQEVSTJZSA-N 1 2 344.455 2.117 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)COc3ccccc3CC)C2)C1 ZINC000972658433 679522200 /nfs/dbraw/zinc/52/22/00/679522200.db2.gz FVQOJAVBGAIRGE-FQEVSTJZSA-N 1 2 344.455 2.117 20 30 EEEDLO 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ZINC000944319457 1193000705 /nfs/dbraw/zinc/00/07/05/1193000705.db2.gz WPOLQRJUCVXFCW-VQIMIIECSA-N 1 2 348.450 2.027 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](Cc2ncccn2)C[C@H]1C ZINC000944319457 1193000708 /nfs/dbraw/zinc/00/07/08/1193000708.db2.gz WPOLQRJUCVXFCW-VQIMIIECSA-N 1 2 348.450 2.027 20 30 EEEDLO CN(C)c1ccccc1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032223120 1193244411 /nfs/dbraw/zinc/24/44/11/1193244411.db2.gz NGCQJLVKVGEMDB-UHFFFAOYSA-N 1 2 348.450 2.486 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC000945072881 1193354952 /nfs/dbraw/zinc/35/49/52/1193354952.db2.gz LVWJWLZIYOBMOH-GOSISDBHSA-N 1 2 344.459 2.006 20 30 EEEDLO C=CCSCC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1ccc[nH]1)CCO2 ZINC001271194997 1186073601 /nfs/dbraw/zinc/07/36/01/1186073601.db2.gz VNNYJRXICNOAFO-GOSISDBHSA-N 1 2 349.500 2.127 20 30 EEEDLO C=CCSCC(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1ccc[nH]1)CCO2 ZINC001271194997 1186073605 /nfs/dbraw/zinc/07/36/05/1186073605.db2.gz VNNYJRXICNOAFO-GOSISDBHSA-N 1 2 349.500 2.127 20 30 EEEDLO C#CC[NH2+][C@H]1CCCCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001088357617 1186668771 /nfs/dbraw/zinc/66/87/71/1186668771.db2.gz GNXJZULSAWRVOW-KRWDZBQOSA-N 1 2 337.427 2.079 20 30 EEEDLO Cc1ccc(C)c(C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c1 ZINC001271986815 1186761478 /nfs/dbraw/zinc/76/14/78/1186761478.db2.gz GLXUDSDGEQPHOU-UHFFFAOYSA-N 1 2 348.450 2.472 20 30 EEEDLO C=CCCOCC(=O)N[C@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126639419 1187023568 /nfs/dbraw/zinc/02/35/68/1187023568.db2.gz NOVSWDWNXOYNKB-CQSZACIVSA-N 1 2 332.448 2.099 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC001088533503 1187178155 /nfs/dbraw/zinc/17/81/55/1187178155.db2.gz VEHBSAFCHXEQNX-DOMZBBRYSA-N 1 2 341.415 2.391 20 30 EEEDLO CC(C)c1ocnc1C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC001088533503 1187178157 /nfs/dbraw/zinc/17/81/57/1187178157.db2.gz VEHBSAFCHXEQNX-DOMZBBRYSA-N 1 2 341.415 2.391 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2nn(C)c3ccccc23)[C@H]1C ZINC001088570747 1187406919 /nfs/dbraw/zinc/40/69/19/1187406919.db2.gz NUDWPWVWCFZMAU-HIFRSBDPSA-N 1 2 346.862 2.447 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2nn(C)c3ccccc23)[C@H]1C ZINC001088570747 1187406920 /nfs/dbraw/zinc/40/69/20/1187406920.db2.gz NUDWPWVWCFZMAU-HIFRSBDPSA-N 1 2 346.862 2.447 20 30 EEEDLO CCCC#CC(=O)N1CC2(C1)CC[N@H+](Cc1nc3ccccc3[nH]1)C2 ZINC001272109045 1187914885 /nfs/dbraw/zinc/91/48/85/1187914885.db2.gz GPPHWGSTLZJFBH-UHFFFAOYSA-N 1 2 336.439 2.401 20 30 EEEDLO CCCC#CC(=O)N1CC2(C1)CC[N@@H+](Cc1nc3ccccc3[nH]1)C2 ZINC001272109045 1187914889 /nfs/dbraw/zinc/91/48/89/1187914889.db2.gz GPPHWGSTLZJFBH-UHFFFAOYSA-N 1 2 336.439 2.401 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3noc4c3CCCC4)[C@@H]2C1 ZINC001076280809 1188828877 /nfs/dbraw/zinc/82/88/77/1188828877.db2.gz ISJSDZCLMXXWKL-GXTWGEPZSA-N 1 2 335.835 2.452 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3noc4c3CCCC4)[C@@H]2C1 ZINC001076280809 1188828879 /nfs/dbraw/zinc/82/88/79/1188828879.db2.gz ISJSDZCLMXXWKL-GXTWGEPZSA-N 1 2 335.835 2.452 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn4c3CCCC4)[C@@H]2C1 ZINC001076433053 1188912168 /nfs/dbraw/zinc/91/21/68/1188912168.db2.gz LUWOXISRXFQFEJ-XJKSGUPXSA-N 1 2 334.851 2.118 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnn4c3CCCC4)[C@@H]2C1 ZINC001076433053 1188912171 /nfs/dbraw/zinc/91/21/71/1188912171.db2.gz LUWOXISRXFQFEJ-XJKSGUPXSA-N 1 2 334.851 2.118 20 30 EEEDLO C=CC(C)(C)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001076691149 1189110797 /nfs/dbraw/zinc/11/07/97/1189110797.db2.gz LFFQYIJCBTXGMB-LSDHHAIUSA-N 1 2 346.475 2.059 20 30 EEEDLO C=CCCC(=O)N[C@@H](C)CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001076987765 1189268822 /nfs/dbraw/zinc/26/88/22/1189268822.db2.gz GZHLCWOKAIWSLW-HOTGVXAUSA-N 1 2 334.464 2.448 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001077106333 1189338738 /nfs/dbraw/zinc/33/87/38/1189338738.db2.gz HSIRLLXNKQTOPD-GJZGRUSLSA-N 1 2 346.475 2.059 20 30 EEEDLO C=CCC1(C(=O)N[C@@H](C)CCNC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001077185845 1189379077 /nfs/dbraw/zinc/37/90/77/1189379077.db2.gz UAMKOCMTUPMWPD-INIZCTEOSA-N 1 2 346.475 2.421 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](C)OCCCC)CC2)C1 ZINC001105695799 1189707477 /nfs/dbraw/zinc/70/74/77/1189707477.db2.gz OMHZYTMHSZNRCW-MRXNPFEDSA-N 1 2 338.492 2.460 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnn(-c2ccccc2)n1 ZINC001483415967 1190461398 /nfs/dbraw/zinc/46/13/98/1190461398.db2.gz XFPAHHZAQVKZPV-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cnn(-c2ccccc2)n1 ZINC001483415967 1190461400 /nfs/dbraw/zinc/46/14/00/1190461400.db2.gz XFPAHHZAQVKZPV-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)COCC ZINC001409837542 1190668772 /nfs/dbraw/zinc/66/87/72/1190668772.db2.gz MFUQGAXCIOBCPQ-CYBMUJFWSA-N 1 2 333.270 2.292 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)COCC ZINC001409837542 1190668774 /nfs/dbraw/zinc/66/87/74/1190668774.db2.gz MFUQGAXCIOBCPQ-CYBMUJFWSA-N 1 2 333.270 2.292 20 30 EEEDLO C[C@H](NC(=O)C[C@H]1CCOC1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001409860639 1190709935 /nfs/dbraw/zinc/70/99/35/1190709935.db2.gz MKXZGUMMGKGNIL-DZGCQCFKSA-N 1 2 345.418 2.060 20 30 EEEDLO C[C@H]1CCC[C@H](C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)C1 ZINC001272287865 1190744040 /nfs/dbraw/zinc/74/40/40/1190744040.db2.gz RBFSDSUXPSOMMD-RDJZCZTQSA-N 1 2 340.471 2.367 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001011320990 1224128761 /nfs/dbraw/zinc/12/87/61/1224128761.db2.gz ZFRFCYBVEACBJS-UHFFFAOYSA-N 1 2 346.475 2.200 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001014675302 1224162335 /nfs/dbraw/zinc/16/23/35/1224162335.db2.gz XGCKHAWQQNCFDA-LBPRGKRZSA-N 1 2 331.807 2.028 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2-c2ccccn2)C1 ZINC001014675302 1224162340 /nfs/dbraw/zinc/16/23/40/1224162340.db2.gz XGCKHAWQQNCFDA-LBPRGKRZSA-N 1 2 331.807 2.028 20 30 EEEDLO CCCCCCC/C=C/C[NH+]1CC2(C1)COCC(=O)N2C1COC1 ZINC001273108423 1194391852 /nfs/dbraw/zinc/39/18/52/1194391852.db2.gz PNHRPVQQJSJHER-CMDGGOBGSA-N 1 2 336.476 2.215 20 30 EEEDLO CCc1oncc1C(=O)N(C)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033468090 1194608024 /nfs/dbraw/zinc/60/80/24/1194608024.db2.gz UWIWHVKQAPLEAD-QGZVFWFLSA-N 1 2 337.423 2.435 20 30 EEEDLO CCc1oncc1C(=O)N(C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033468090 1194608025 /nfs/dbraw/zinc/60/80/25/1194608025.db2.gz UWIWHVKQAPLEAD-QGZVFWFLSA-N 1 2 337.423 2.435 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C2(C)CCOCC2)C1 ZINC001033508048 1194641172 /nfs/dbraw/zinc/64/11/72/1194641172.db2.gz JKCSKUHQXWIGIH-ZDUSSCGKSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C2(C)CCOCC2)C1 ZINC001033508048 1194641174 /nfs/dbraw/zinc/64/11/74/1194641174.db2.gz JKCSKUHQXWIGIH-ZDUSSCGKSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001033593651 1194923326 /nfs/dbraw/zinc/92/33/26/1194923326.db2.gz COMKCYWVKPLYOM-MRXNPFEDSA-N 1 2 349.862 2.287 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001033593651 1194923327 /nfs/dbraw/zinc/92/33/27/1194923327.db2.gz COMKCYWVKPLYOM-MRXNPFEDSA-N 1 2 349.862 2.287 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001033713330 1195123249 /nfs/dbraw/zinc/12/32/49/1195123249.db2.gz QJKULYYHTCGZOZ-MRXNPFEDSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001033713330 1195123255 /nfs/dbraw/zinc/12/32/55/1195123255.db2.gz QJKULYYHTCGZOZ-MRXNPFEDSA-N 1 2 345.834 2.166 20 30 EEEDLO CCc1cccc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)n1 ZINC001014740843 1224269174 /nfs/dbraw/zinc/26/91/74/1224269174.db2.gz AULPQMTZDJEIOR-LJQANCHMSA-N 1 2 333.435 2.500 20 30 EEEDLO CCc1cccc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)n1 ZINC001014740843 1224269183 /nfs/dbraw/zinc/26/91/83/1224269183.db2.gz AULPQMTZDJEIOR-LJQANCHMSA-N 1 2 333.435 2.500 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C)nn2C)C1 ZINC001273134476 1195275829 /nfs/dbraw/zinc/27/58/29/1195275829.db2.gz DQGHYBNAIYMCSW-IYBDPMFKSA-N 1 2 328.460 2.260 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C)nn2C)C1 ZINC001273134476 1195275833 /nfs/dbraw/zinc/27/58/33/1195275833.db2.gz DQGHYBNAIYMCSW-IYBDPMFKSA-N 1 2 328.460 2.260 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001034247333 1195980480 /nfs/dbraw/zinc/98/04/80/1195980480.db2.gz MNPJJEGUSRUVRP-MRXNPFEDSA-N 1 2 341.459 2.192 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccn(C)n2)C1 ZINC001034247333 1195980483 /nfs/dbraw/zinc/98/04/83/1195980483.db2.gz MNPJJEGUSRUVRP-MRXNPFEDSA-N 1 2 341.459 2.192 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cscn2)C1 ZINC001034407426 1196179159 /nfs/dbraw/zinc/17/91/59/1196179159.db2.gz CBOIZGQTIWRDFC-BMFZPTHFSA-N 1 2 335.473 2.205 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cscn2)C1 ZINC001034407426 1196179161 /nfs/dbraw/zinc/17/91/61/1196179161.db2.gz CBOIZGQTIWRDFC-BMFZPTHFSA-N 1 2 335.473 2.205 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2coc(COC)n2)C1 ZINC001034467876 1196248507 /nfs/dbraw/zinc/24/85/07/1196248507.db2.gz NCXPLCOMKGEOQD-LBPRGKRZSA-N 1 2 327.812 2.158 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2coc(COC)n2)C1 ZINC001034467876 1196248509 /nfs/dbraw/zinc/24/85/09/1196248509.db2.gz NCXPLCOMKGEOQD-LBPRGKRZSA-N 1 2 327.812 2.158 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3cc(C)on3)C2)cn1 ZINC001034499005 1196290603 /nfs/dbraw/zinc/29/06/03/1196290603.db2.gz QPPKZKHYSCTCTL-QGZVFWFLSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](Cc3cc(C)on3)C2)cn1 ZINC001034499005 1196290604 /nfs/dbraw/zinc/29/06/04/1196290604.db2.gz QPPKZKHYSCTCTL-QGZVFWFLSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[N@H+](Cc2ccon2)C1 ZINC001034505138 1196307224 /nfs/dbraw/zinc/30/72/24/1196307224.db2.gz GSAXJVMSWWPCRD-GOSISDBHSA-N 1 2 337.423 2.369 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2ccon2)C1 ZINC001034505138 1196307228 /nfs/dbraw/zinc/30/72/28/1196307228.db2.gz GSAXJVMSWWPCRD-GOSISDBHSA-N 1 2 337.423 2.369 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H]1C ZINC001090231769 1196495373 /nfs/dbraw/zinc/49/53/73/1196495373.db2.gz UZPZMUCWDBBUOD-DZKIICNBSA-N 1 2 342.443 2.102 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1-c1ccsc1 ZINC001018111779 1224350716 /nfs/dbraw/zinc/35/07/16/1224350716.db2.gz FIJNLRJVFNYNKX-OKILXGFUSA-N 1 2 326.425 2.060 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1-c1ccsc1 ZINC001018111779 1224350723 /nfs/dbraw/zinc/35/07/23/1224350723.db2.gz FIJNLRJVFNYNKX-OKILXGFUSA-N 1 2 326.425 2.060 20 30 EEEDLO CC#CCCCC(=O)NC[C@@]1(C)C[N@H+](CCC(F)(F)F)CCO1 ZINC001108143937 1196573350 /nfs/dbraw/zinc/57/33/50/1196573350.db2.gz HZIJBKRHYPGUBS-HNNXBMFYSA-N 1 2 334.382 2.340 20 30 EEEDLO CC#CCCCC(=O)NC[C@@]1(C)C[N@@H+](CCC(F)(F)F)CCO1 ZINC001108143937 1196573352 /nfs/dbraw/zinc/57/33/52/1196573352.db2.gz HZIJBKRHYPGUBS-HNNXBMFYSA-N 1 2 334.382 2.340 20 30 EEEDLO C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001018140322 1224382145 /nfs/dbraw/zinc/38/21/45/1224382145.db2.gz LZNBODNAFLCJFU-CALCHBBNSA-N 1 2 337.427 2.337 20 30 EEEDLO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001018140322 1224382150 /nfs/dbraw/zinc/38/21/50/1224382150.db2.gz LZNBODNAFLCJFU-CALCHBBNSA-N 1 2 337.427 2.337 20 30 EEEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)c2ccccc2o1 ZINC001018232027 1224502475 /nfs/dbraw/zinc/50/24/75/1224502475.db2.gz RXKOOJUPSQTLLS-GASCZTMLSA-N 1 2 336.391 2.105 20 30 EEEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)c2ccccc2o1 ZINC001018232027 1224502479 /nfs/dbraw/zinc/50/24/79/1224502479.db2.gz 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C#CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ccn(C)n3)C2)CCC1 ZINC001132102588 1199295846 /nfs/dbraw/zinc/29/58/46/1199295846.db2.gz XUWPNSLIEJVWNI-CVEARBPZSA-N 1 2 328.460 2.083 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(OC)nn2)C1 ZINC001132218247 1199456226 /nfs/dbraw/zinc/45/62/26/1199456226.db2.gz OBVGQSBZVSGZHA-UONOGXRCSA-N 1 2 332.448 2.167 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001132218247 1199456231 /nfs/dbraw/zinc/45/62/31/1199456231.db2.gz OBVGQSBZVSGZHA-UONOGXRCSA-N 1 2 332.448 2.167 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=O)NCC(C)C)C2)CCC1 ZINC001132281426 1199515198 /nfs/dbraw/zinc/51/51/98/1199515198.db2.gz BVECNNGOSGEMQD-IAGOWNOFSA-N 1 2 349.519 2.474 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=O)NCC(C)C)C2)CCC1 ZINC001132281426 1199515202 /nfs/dbraw/zinc/51/52/02/1199515202.db2.gz BVECNNGOSGEMQD-IAGOWNOFSA-N 1 2 349.519 2.474 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1noc(-c2ccc(OC)cc2)n1 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OPRLVVFHOVJUHX-HXUWFJFHSA-N 1 2 349.434 2.002 20 30 EEEDLO C=CCN1CC[C@@]2(CC[N@@H+](Cc3nc4ccc(F)cc4[nH]3)C2)C1=O ZINC001274381070 1205016620 /nfs/dbraw/zinc/01/66/20/1205016620.db2.gz MBIURGTYDJGTBX-GOSISDBHSA-N 1 2 328.391 2.312 20 30 EEEDLO C=CCN1CC[C@@]2(CC[N@H+](Cc3nc4ccc(F)cc4[nH]3)C2)C1=O ZINC001274381070 1205016623 /nfs/dbraw/zinc/01/66/23/1205016623.db2.gz MBIURGTYDJGTBX-GOSISDBHSA-N 1 2 328.391 2.312 20 30 EEEDLO C=CCN1C(=O)COCC12C[NH+](Cc1cc(C)cc(SC)c1)C2 ZINC001274536992 1205071500 /nfs/dbraw/zinc/07/15/00/1205071500.db2.gz PVBKAOXCEKMIAI-UHFFFAOYSA-N 1 2 332.469 2.316 20 30 EEEDLO COCCOCN1CC2(C1)CCC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001275596616 1205437048 /nfs/dbraw/zinc/43/70/48/1205437048.db2.gz CHRDNHWSPJPOFZ-UHFFFAOYSA-N 1 2 347.434 2.216 20 30 EEEDLO COCCOCN1CC2(C1)CCC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001275596616 1205437049 /nfs/dbraw/zinc/43/70/49/1205437049.db2.gz CHRDNHWSPJPOFZ-UHFFFAOYSA-N 1 2 347.434 2.216 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(C(F)(F)F)no1 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C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1conc1COC ZINC000948978397 1209485246 /nfs/dbraw/zinc/48/52/46/1209485246.db2.gz LJAWTTMQUJLSHD-GOSISDBHSA-N 1 2 341.411 2.336 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ncsc3C(C)C)CC2)C1 ZINC000949509262 1209720183 /nfs/dbraw/zinc/72/01/83/1209720183.db2.gz NKSQVRSOCYNVTC-UHFFFAOYSA-N 1 2 347.484 2.207 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ncsc3C(C)C)CC2)C1 ZINC000949509262 1209720186 /nfs/dbraw/zinc/72/01/86/1209720186.db2.gz NKSQVRSOCYNVTC-UHFFFAOYSA-N 1 2 347.484 2.207 20 30 EEEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000077442237 1209802959 /nfs/dbraw/zinc/80/29/59/1209802959.db2.gz CXUAGKQCESCZEM-LJQANCHMSA-N 1 2 340.427 2.448 20 30 EEEDLO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000077442237 1209802961 /nfs/dbraw/zinc/80/29/61/1209802961.db2.gz CXUAGKQCESCZEM-LJQANCHMSA-N 1 2 340.427 2.448 20 30 EEEDLO CC(C)n1cnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001015388032 1225182916 /nfs/dbraw/zinc/18/29/16/1225182916.db2.gz FMTGLRZNZTYKEQ-CYBMUJFWSA-N 1 2 343.456 2.401 20 30 EEEDLO CC(C)n1cnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001015388032 1225182919 /nfs/dbraw/zinc/18/29/19/1225182919.db2.gz FMTGLRZNZTYKEQ-CYBMUJFWSA-N 1 2 343.456 2.401 20 30 EEEDLO C#CCOCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C/C(Cl)=C\Cl)C2 ZINC001111746193 1210297933 /nfs/dbraw/zinc/29/79/33/1210297933.db2.gz LWCGYDLABUCVNS-XDVHSGBSSA-N 1 2 345.270 2.316 20 30 EEEDLO C#CCOCCC(=O)N[C@]12CCC[C@H]1C[N@H+](C/C(Cl)=C\Cl)C2 ZINC001111746193 1210297934 /nfs/dbraw/zinc/29/79/34/1210297934.db2.gz LWCGYDLABUCVNS-XDVHSGBSSA-N 1 2 345.270 2.316 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC000950617396 1210305786 /nfs/dbraw/zinc/30/57/86/1210305786.db2.gz VGXDWUVLTMTDIA-INIZCTEOSA-N 1 2 344.459 2.196 20 30 EEEDLO CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(CC3CC3)s1)C2 ZINC001095808805 1210380514 /nfs/dbraw/zinc/38/05/14/1210380514.db2.gz AKLMDHBFQFAAOT-ILXRZTDVSA-N 1 2 329.469 2.454 20 30 EEEDLO CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(CC3CC3)s1)C2 ZINC001095808805 1210380516 /nfs/dbraw/zinc/38/05/16/1210380516.db2.gz AKLMDHBFQFAAOT-ILXRZTDVSA-N 1 2 329.469 2.454 20 30 EEEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)CCC3CCOCC3)CC2)c1 ZINC000951183000 1210664092 /nfs/dbraw/zinc/66/40/92/1210664092.db2.gz KBRDOCBXLDHJIW-UHFFFAOYSA-N 1 2 341.455 2.409 20 30 EEEDLO C=CCn1cc(C(=O)N2CC[NH+](Cc3cc(C)sc3C)CC2)nn1 ZINC000951563326 1210888279 /nfs/dbraw/zinc/88/82/79/1210888279.db2.gz QSXRMEQTNDFHOL-UHFFFAOYSA-N 1 2 345.472 2.100 20 30 EEEDLO NC(Cc1cccnc1)=[NH+]OCC(=O)NC1(c2ccccc2)CCC1 ZINC000089506505 1212000738 /nfs/dbraw/zinc/00/07/38/1212000738.db2.gz MTZJMTWERUHKPV-UHFFFAOYSA-N 1 2 338.411 2.109 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)cs1 ZINC001015604689 1225455317 /nfs/dbraw/zinc/45/53/17/1225455317.db2.gz WZHFEFMKLLJROX-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)cs1 ZINC001015604689 1225455324 /nfs/dbraw/zinc/45/53/24/1225455324.db2.gz WZHFEFMKLLJROX-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO C=C1CCC(C(=O)NC2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000956482772 1213916316 /nfs/dbraw/zinc/91/63/16/1213916316.db2.gz YKQVDXVRFPCLCS-UHFFFAOYSA-N 1 2 344.459 2.196 20 30 EEEDLO C#CCCCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001114637636 1213998901 /nfs/dbraw/zinc/99/89/01/1213998901.db2.gz RVVSUVZXJDIMGQ-GDBMZVCRSA-N 1 2 330.432 2.006 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH+]3CCN(C(=O)/C(C)=C\C)CC3)C2)C1 ZINC000956590722 1214112474 /nfs/dbraw/zinc/11/24/74/1214112474.db2.gz SBBYROMNGRCKEN-JVMBSBNBSA-N 1 2 345.487 2.054 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C3(C)CC3)CC2)C1 ZINC000956593776 1214118014 /nfs/dbraw/zinc/11/80/14/1214118014.db2.gz CAHOQTZDKJCBKC-MRXNPFEDSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC000957285816 1215025793 /nfs/dbraw/zinc/02/57/93/1215025793.db2.gz CYCHQTRXHUOWRL-UHFFFAOYSA-N 1 2 329.444 2.111 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001114821010 1215539590 /nfs/dbraw/zinc/53/95/90/1215539590.db2.gz RMULKIVCLFBGDI-HDJSIYSDSA-N 1 2 346.479 2.155 20 30 EEEDLO CCN(CCCNC(=O)Cc1[nH]c[nH+]c1C)c1cccc(F)c1C#N ZINC001095899701 1215748786 /nfs/dbraw/zinc/74/87/86/1215748786.db2.gz POHUWPJCICEACW-UHFFFAOYSA-N 1 2 343.406 2.304 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c(F)cccc2Cl)C1 ZINC000958614872 1215796804 /nfs/dbraw/zinc/79/68/04/1215796804.db2.gz YLFITANZGKJJSG-GWCFXTLKSA-N 1 2 347.217 2.254 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2c(F)cccc2Cl)C1 ZINC000958614872 1215796807 /nfs/dbraw/zinc/79/68/07/1215796807.db2.gz YLFITANZGKJJSG-GWCFXTLKSA-N 1 2 347.217 2.254 20 30 EEEDLO CCCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)cn1 ZINC001015779766 1225659022 /nfs/dbraw/zinc/65/90/22/1225659022.db2.gz QBERCFHVSHDJDC-CQSZACIVSA-N 1 2 343.456 2.231 20 30 EEEDLO CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)cn1 ZINC001015779766 1225659025 /nfs/dbraw/zinc/65/90/25/1225659025.db2.gz QBERCFHVSHDJDC-CQSZACIVSA-N 1 2 343.456 2.231 20 30 EEEDLO CC(C)n1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001015784210 1225665870 /nfs/dbraw/zinc/66/58/70/1225665870.db2.gz DGLPKERKCWPWCE-CYBMUJFWSA-N 1 2 343.456 2.401 20 30 EEEDLO CC(C)n1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001015784210 1225665872 /nfs/dbraw/zinc/66/58/72/1225665872.db2.gz DGLPKERKCWPWCE-CYBMUJFWSA-N 1 2 343.456 2.401 20 30 EEEDLO Cc1nc(C[N@H+](C)C[C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)cs1 ZINC000960578328 1216700688 /nfs/dbraw/zinc/70/06/88/1216700688.db2.gz UADQWDVRQPAZAY-MRXNPFEDSA-N 1 2 343.456 2.388 20 30 EEEDLO Cc1nc(C[N@@H+](C)C[C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)cs1 ZINC000960578328 1216700692 /nfs/dbraw/zinc/70/06/92/1216700692.db2.gz UADQWDVRQPAZAY-MRXNPFEDSA-N 1 2 343.456 2.388 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ncccn1 ZINC000960668792 1216781438 /nfs/dbraw/zinc/78/14/38/1216781438.db2.gz RPUHFSUNMCILDB-MRXNPFEDSA-N 1 2 339.443 2.201 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ncccn1 ZINC000960668792 1216781442 /nfs/dbraw/zinc/78/14/42/1216781442.db2.gz RPUHFSUNMCILDB-MRXNPFEDSA-N 1 2 339.443 2.201 20 30 EEEDLO COc1cc(N2CCN(C(=O)Nc3cccc(C#N)c3)CC2)cc[nH+]1 ZINC001202785244 1225713321 /nfs/dbraw/zinc/71/33/21/1225713321.db2.gz AOCCIMZYJHYDCP-UHFFFAOYSA-N 1 2 337.383 2.316 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@H]2C)cnn1 ZINC000965957492 1219398571 /nfs/dbraw/zinc/39/85/71/1219398571.db2.gz DCFGRNJKEVXLAK-AUUYWEPGSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)CC[C@H]2C)cnn1 ZINC000965957492 1219398576 /nfs/dbraw/zinc/39/85/76/1219398576.db2.gz DCFGRNJKEVXLAK-AUUYWEPGSA-N 1 2 349.438 2.297 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000965984555 1219420688 /nfs/dbraw/zinc/42/06/88/1219420688.db2.gz FYTUQCILBPXLCQ-CXAGYDPISA-N 1 2 337.427 2.230 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000965984555 1219420689 /nfs/dbraw/zinc/42/06/89/1219420689.db2.gz FYTUQCILBPXLCQ-CXAGYDPISA-N 1 2 337.427 2.230 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)c1ncc[nH]1 ZINC000966000870 1219436257 /nfs/dbraw/zinc/43/62/57/1219436257.db2.gz TUZIBPGMJHRRCW-WBMJQRKESA-N 1 2 341.390 2.061 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1NC(=O)c1ncc[nH]1 ZINC000966000870 1219436260 /nfs/dbraw/zinc/43/62/60/1219436260.db2.gz TUZIBPGMJHRRCW-WBMJQRKESA-N 1 2 341.390 2.061 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn3c(n2)CCCC3)C1 ZINC000966526541 1219820900 /nfs/dbraw/zinc/82/09/00/1219820900.db2.gz OSOSTTCYDBKZAF-OCCSQVGLSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cn3c(n2)CCCC3)C1 ZINC000966526541 1219820904 /nfs/dbraw/zinc/82/09/04/1219820904.db2.gz OSOSTTCYDBKZAF-OCCSQVGLSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ncnc3[nH]ccc32)C1 ZINC000967255238 1220356781 /nfs/dbraw/zinc/35/67/81/1220356781.db2.gz IMFZWDYFAPIJHH-MFKMUULPSA-N 1 2 333.823 2.102 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ncnc3[nH]ccc32)C1 ZINC000967255238 1220356786 /nfs/dbraw/zinc/35/67/86/1220356786.db2.gz IMFZWDYFAPIJHH-MFKMUULPSA-N 1 2 333.823 2.102 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(Cl)n3)C2)cn1 ZINC001016026040 1225971615 /nfs/dbraw/zinc/97/16/15/1225971615.db2.gz CGMXNCRWFLDQET-MRXNPFEDSA-N 1 2 340.814 2.116 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(Cl)n3)C2)cn1 ZINC001016026040 1225971619 /nfs/dbraw/zinc/97/16/19/1225971619.db2.gz CGMXNCRWFLDQET-MRXNPFEDSA-N 1 2 340.814 2.116 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(OC)cn2)C1 ZINC000967946927 1220934898 /nfs/dbraw/zinc/93/48/98/1220934898.db2.gz VRLVRHPVKSVEQC-WBMJQRKESA-N 1 2 337.851 2.212 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(OC)cn2)C1 ZINC000967946927 1220934901 /nfs/dbraw/zinc/93/49/01/1220934901.db2.gz VRLVRHPVKSVEQC-WBMJQRKESA-N 1 2 337.851 2.212 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2cn(C)nc2Cl)C1 ZINC000968331752 1221215026 /nfs/dbraw/zinc/21/50/26/1221215026.db2.gz QRVKUHRRGKQKCQ-GXFFZTMASA-N 1 2 345.274 2.195 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2cn(C)nc2Cl)C1 ZINC000968331752 1221215029 /nfs/dbraw/zinc/21/50/29/1221215029.db2.gz QRVKUHRRGKQKCQ-GXFFZTMASA-N 1 2 345.274 2.195 20 30 EEEDLO C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC000968684630 1221489496 /nfs/dbraw/zinc/48/94/96/1221489496.db2.gz FVRLJTCYYYZBCI-UKRRQHHQSA-N 1 2 325.416 2.098 20 30 EEEDLO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC000968684630 1221489500 /nfs/dbraw/zinc/48/95/00/1221489500.db2.gz FVRLJTCYYYZBCI-UKRRQHHQSA-N 1 2 325.416 2.098 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)n(C)n1 ZINC001006852980 1221980568 /nfs/dbraw/zinc/98/05/68/1221980568.db2.gz JSFMEGSNFKYJSQ-CYBMUJFWSA-N 1 2 343.456 2.056 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)n(C)n1 ZINC001006852980 1221980572 /nfs/dbraw/zinc/98/05/72/1221980572.db2.gz JSFMEGSNFKYJSQ-CYBMUJFWSA-N 1 2 343.456 2.056 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)Cc3ccon3)C2)c(F)c1 ZINC001006961008 1222037646 /nfs/dbraw/zinc/03/76/46/1222037646.db2.gz YOHUVVZLJUYDRJ-MRXNPFEDSA-N 1 2 342.374 2.009 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)Cc3ccon3)C2)c(F)c1 ZINC001006961008 1222037651 /nfs/dbraw/zinc/03/76/51/1222037651.db2.gz YOHUVVZLJUYDRJ-MRXNPFEDSA-N 1 2 342.374 2.009 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(C4CC4)no3)C2)c1 ZINC001007029330 1222067630 /nfs/dbraw/zinc/06/76/30/1222067630.db2.gz MWMXBRPHQPXTSB-CQSZACIVSA-N 1 2 339.399 2.146 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(C4CC4)no3)C2)c1 ZINC001007029330 1222067631 /nfs/dbraw/zinc/06/76/31/1222067631.db2.gz MWMXBRPHQPXTSB-CQSZACIVSA-N 1 2 339.399 2.146 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001007501671 1222263382 /nfs/dbraw/zinc/26/33/82/1222263382.db2.gz BXNVYDYZFNCGGP-INIZCTEOSA-N 1 2 339.443 2.167 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(C)ncn2)C1 ZINC001007501671 1222263387 /nfs/dbraw/zinc/26/33/87/1222263387.db2.gz BXNVYDYZFNCGGP-INIZCTEOSA-N 1 2 339.443 2.167 20 30 EEEDLO COc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)cn1 ZINC001007843147 1222454662 /nfs/dbraw/zinc/45/46/62/1222454662.db2.gz FALNZJZKMSLASJ-LJQANCHMSA-N 1 2 349.434 2.336 20 30 EEEDLO COc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)cn1 ZINC001007843147 1222454667 /nfs/dbraw/zinc/45/46/67/1222454667.db2.gz FALNZJZKMSLASJ-LJQANCHMSA-N 1 2 349.434 2.336 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC001008395731 1222808329 /nfs/dbraw/zinc/80/83/29/1222808329.db2.gz QCYSQFZBZSVVHC-HNAYVOBHSA-N 1 2 346.475 2.216 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC2(C)C)C1 ZINC001008556312 1222925013 /nfs/dbraw/zinc/92/50/13/1222925013.db2.gz OXVNVVOJYDGJED-OAHLLOKOSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC2(C)C)C1 ZINC001008556312 1222925016 /nfs/dbraw/zinc/92/50/16/1222925016.db2.gz OXVNVVOJYDGJED-OAHLLOKOSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccns2)C1 ZINC001008847001 1223055841 /nfs/dbraw/zinc/05/58/41/1223055841.db2.gz POLCVHOGSVXLFE-BPUTZDHNSA-N 1 2 335.473 2.205 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC001008847001 1223055843 /nfs/dbraw/zinc/05/58/43/1223055843.db2.gz POLCVHOGSVXLFE-BPUTZDHNSA-N 1 2 335.473 2.205 20 30 EEEDLO CC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CCOCC1 ZINC001008880824 1223065837 /nfs/dbraw/zinc/06/58/37/1223065837.db2.gz KSYJOKSBSGNCQL-SFHVURJKSA-N 1 2 341.455 2.456 20 30 EEEDLO CC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CCOCC1 ZINC001008880824 1223065840 /nfs/dbraw/zinc/06/58/40/1223065840.db2.gz KSYJOKSBSGNCQL-SFHVURJKSA-N 1 2 341.455 2.456 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)c(C)n1 ZINC001008905152 1223075816 /nfs/dbraw/zinc/07/58/16/1223075816.db2.gz KMVZJSZMCGPSDQ-GOSISDBHSA-N 1 2 349.438 2.360 20 30 EEEDLO Cc1ncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)c(C)n1 ZINC001008905152 1223075820 /nfs/dbraw/zinc/07/58/20/1223075820.db2.gz KMVZJSZMCGPSDQ-GOSISDBHSA-N 1 2 349.438 2.360 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001009061470 1223128204 /nfs/dbraw/zinc/12/82/04/1223128204.db2.gz YVUFNLABDFTYJV-LBPRGKRZSA-N 1 2 330.413 2.311 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001009061470 1223128205 /nfs/dbraw/zinc/12/82/05/1223128205.db2.gz YVUFNLABDFTYJV-LBPRGKRZSA-N 1 2 330.413 2.311 20 30 EEEDLO Cc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001010227134 1223615470 /nfs/dbraw/zinc/61/54/70/1223615470.db2.gz ORICLIPJOTZGIG-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001010227134 1223615471 /nfs/dbraw/zinc/61/54/71/1223615471.db2.gz ORICLIPJOTZGIG-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(F)nc3)C2)s1 ZINC001010386624 1223693870 /nfs/dbraw/zinc/69/38/70/1223693870.db2.gz ZTMXFJKTVCHKLZ-GFCCVEGCSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(F)nc3)C2)s1 ZINC001010386624 1223693871 /nfs/dbraw/zinc/69/38/71/1223693871.db2.gz ZTMXFJKTVCHKLZ-GFCCVEGCSA-N 1 2 330.388 2.158 20 30 EEEDLO Cc1nscc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010684692 1223849732 /nfs/dbraw/zinc/84/97/32/1223849732.db2.gz UKPSIQGTPAIZRR-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1nscc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010684692 1223849735 /nfs/dbraw/zinc/84/97/35/1223849735.db2.gz UKPSIQGTPAIZRR-AWEZNQCLSA-N 1 2 344.415 2.467 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)co1 ZINC001010738454 1223881222 /nfs/dbraw/zinc/88/12/22/1223881222.db2.gz HDGPGQGXLQGWSC-INIZCTEOSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)co1 ZINC001010738454 1223881224 /nfs/dbraw/zinc/88/12/24/1223881224.db2.gz HDGPGQGXLQGWSC-INIZCTEOSA-N 1 2 343.814 2.492 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)OCCc3ccccc32)C1 ZINC001016383439 1226419520 /nfs/dbraw/zinc/41/95/20/1226419520.db2.gz HTYFZVZSOYWIDV-QAPCUYQASA-N 1 2 334.847 2.418 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)OCCc3ccccc32)C1 ZINC001016383439 1226419526 /nfs/dbraw/zinc/41/95/26/1226419526.db2.gz HTYFZVZSOYWIDV-QAPCUYQASA-N 1 2 334.847 2.418 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001014331118 1226496567 /nfs/dbraw/zinc/49/65/67/1226496567.db2.gz SXVRYMORHRBPDC-LZQZEXGQSA-N 1 2 344.459 2.125 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001014467020 1226651449 /nfs/dbraw/zinc/65/14/49/1226651449.db2.gz DLLOBQYYUNKALY-UXLLHSPISA-N 1 2 349.500 2.432 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc(C)sc2C)C1 ZINC001014467020 1226651452 /nfs/dbraw/zinc/65/14/52/1226651452.db2.gz DLLOBQYYUNKALY-UXLLHSPISA-N 1 2 349.500 2.432 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(NC(=O)Cc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001014516217 1226708006 /nfs/dbraw/zinc/70/80/06/1226708006.db2.gz VONHOZUQQRDQPX-KXBFYZLASA-N 1 2 344.459 2.194 20 30 EEEDLO CCCn1nccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001014574769 1226795171 /nfs/dbraw/zinc/79/51/71/1226795171.db2.gz CQBPGEJTZMBHOQ-ZDUSSCGKSA-N 1 2 343.456 2.231 20 30 EEEDLO CCCn1nccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001014574769 1226795174 /nfs/dbraw/zinc/79/51/74/1226795174.db2.gz CQBPGEJTZMBHOQ-ZDUSSCGKSA-N 1 2 343.456 2.231 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COC[C@H]1c1ccccc1 ZINC001017676827 1227627665 /nfs/dbraw/zinc/62/76/65/1227627665.db2.gz OFTWJFVRKUTHRK-YRPNKDGESA-N 1 2 338.451 2.115 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COC[C@H]1c1ccccc1 ZINC001017676827 1227627669 /nfs/dbraw/zinc/62/76/69/1227627669.db2.gz OFTWJFVRKUTHRK-YRPNKDGESA-N 1 2 338.451 2.115 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@](C)(C=C)CC)C1=O ZINC001017895281 1227831649 /nfs/dbraw/zinc/83/16/49/1227831649.db2.gz HDRMMENBRBCDPK-YZLZLFLDSA-N 1 2 345.487 2.051 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@](C)(C=C)CC)C1=O ZINC001017895281 1227831653 /nfs/dbraw/zinc/83/16/53/1227831653.db2.gz HDRMMENBRBCDPK-YZLZLFLDSA-N 1 2 345.487 2.051 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]c(C(C)C)n3)C2)nc1 ZINC001058407684 1248999770 /nfs/dbraw/zinc/99/97/70/1248999770.db2.gz SFMQWYIMHKPVTO-MRXNPFEDSA-N 1 2 349.438 2.293 20 30 EEEDLO CCCn1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)cn1 ZINC001038765912 1230035105 /nfs/dbraw/zinc/03/51/05/1230035105.db2.gz CZKSSQJTARUADU-GOSISDBHSA-N 1 2 337.427 2.169 20 30 EEEDLO CCCn1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)cn1 ZINC001038765912 1230035111 /nfs/dbraw/zinc/03/51/11/1230035111.db2.gz CZKSSQJTARUADU-GOSISDBHSA-N 1 2 337.427 2.169 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc3cccnn32)c1 ZINC001038784073 1230053335 /nfs/dbraw/zinc/05/33/35/1230053335.db2.gz DHWUHBKHVHXIKV-SFHVURJKSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc3cccnn32)c1 ZINC001038784073 1230053339 /nfs/dbraw/zinc/05/33/39/1230053339.db2.gz DHWUHBKHVHXIKV-SFHVURJKSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnn3ccccc23)c1 ZINC001038817909 1230081016 /nfs/dbraw/zinc/08/10/16/1230081016.db2.gz AFHIFUNZHCSBEI-KRWDZBQOSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnn3ccccc23)c1 ZINC001038817909 1230081020 /nfs/dbraw/zinc/08/10/20/1230081020.db2.gz AFHIFUNZHCSBEI-KRWDZBQOSA-N 1 2 345.406 2.210 20 30 EEEDLO Cc1nc(NC[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC[C@@H]2C)cc[nH+]1 ZINC001039862151 1230864982 /nfs/dbraw/zinc/86/49/82/1230864982.db2.gz NSNGGQVJVAIZBK-JSGCOSHPSA-N 1 2 338.415 2.195 20 30 EEEDLO Cc1nc(NC[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC[C@H]2C)cc[nH+]1 ZINC001039862152 1230865310 /nfs/dbraw/zinc/86/53/10/1230865310.db2.gz NSNGGQVJVAIZBK-OCCSQVGLSA-N 1 2 338.415 2.195 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@H]2CCN(CC)C2=O)C1 ZINC001039906784 1230900460 /nfs/dbraw/zinc/90/04/60/1230900460.db2.gz WZTPJFCOJGSJIY-BBWFWOEESA-N 1 2 345.487 2.029 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@H]2CCN(CC)C2=O)C1 ZINC001039906784 1230900462 /nfs/dbraw/zinc/90/04/62/1230900462.db2.gz WZTPJFCOJGSJIY-BBWFWOEESA-N 1 2 345.487 2.029 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH]ncc43)C2)C1 ZINC001040206608 1231102648 /nfs/dbraw/zinc/10/26/48/1231102648.db2.gz YODMFXNBVFNTCO-OXJNMPFZSA-N 1 2 340.471 2.167 20 30 EEEDLO CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH]ncc43)C2)C1 ZINC001040206608 1231102652 /nfs/dbraw/zinc/10/26/52/1231102652.db2.gz YODMFXNBVFNTCO-OXJNMPFZSA-N 1 2 340.471 2.167 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cnn(C)n1)C2 ZINC001040368338 1231189145 /nfs/dbraw/zinc/18/91/45/1231189145.db2.gz FMUWPCSLYZDYCM-RBUKOAKNSA-N 1 2 345.491 2.232 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cnn(C)n1)C2 ZINC001040368338 1231189150 /nfs/dbraw/zinc/18/91/50/1231189150.db2.gz FMUWPCSLYZDYCM-RBUKOAKNSA-N 1 2 345.491 2.232 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC2(C1)CC[NH+]([C@@H](C)c1csnn1)CC2 ZINC001040644154 1231325292 /nfs/dbraw/zinc/32/52/92/1231325292.db2.gz NDBQYPOTTWPEMG-STQMWFEESA-N 1 2 333.461 2.073 20 30 EEEDLO CSCC(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001041921423 1231767200 /nfs/dbraw/zinc/76/72/00/1231767200.db2.gz WOSMMKBCEVZBQQ-DYVFJYSZSA-N 1 2 347.459 2.483 20 30 EEEDLO CSCC(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@H]2C1 ZINC001041921423 1231767202 /nfs/dbraw/zinc/76/72/02/1231767202.db2.gz WOSMMKBCEVZBQQ-DYVFJYSZSA-N 1 2 347.459 2.483 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)cs1 ZINC001042045215 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WVHLUWPPYXKTEW-HZPDHXFCSA-N 1 2 328.460 2.199 20 30 EEEDLO CN(C(=O)C1(C2CC2)CC1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001043011889 1232224535 /nfs/dbraw/zinc/22/45/35/1232224535.db2.gz OWJZAPJRJKULRD-UHFFFAOYSA-N 1 2 339.439 2.422 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccn(C)n2)CC1 ZINC001095970138 1232734603 /nfs/dbraw/zinc/73/46/03/1232734603.db2.gz FHWPJVCYOSIFCB-SQNIBIBYSA-N 1 2 328.460 2.388 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccn(C)n2)CC1 ZINC001095970138 1232734606 /nfs/dbraw/zinc/73/46/06/1232734606.db2.gz FHWPJVCYOSIFCB-SQNIBIBYSA-N 1 2 328.460 2.388 20 30 EEEDLO CC1(NC(=O)[C@H]2CCCO2)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001045353429 1233689445 /nfs/dbraw/zinc/68/94/45/1233689445.db2.gz KKUNDWHVWBAQKI-QGZVFWFLSA-N 1 2 345.418 2.347 20 30 EEEDLO CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)CC1 ZINC001045506400 1233784419 /nfs/dbraw/zinc/78/44/19/1233784419.db2.gz MKQZYVGTFASJAO-YOEHRIQHSA-N 1 2 328.460 2.070 20 30 EEEDLO 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1243172373 /nfs/dbraw/zinc/17/23/73/1243172373.db2.gz NDUZNHDUXCFWLF-MRXNPFEDSA-N 1 2 342.443 2.009 20 30 EEEDLO Cc1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)cn1 ZINC001096757538 1243183408 /nfs/dbraw/zinc/18/34/08/1243183408.db2.gz HOOKIFSIZGVIED-LMMKCTJWSA-N 1 2 347.422 2.192 20 30 EEEDLO Cc1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)cn1 ZINC001096757538 1243183413 /nfs/dbraw/zinc/18/34/13/1243183413.db2.gz HOOKIFSIZGVIED-LMMKCTJWSA-N 1 2 347.422 2.192 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(C#N)c2)C3)o1 ZINC001096983560 1243542385 /nfs/dbraw/zinc/54/23/85/1243542385.db2.gz KCCVYSNWEVIBDY-SRMUXQRQSA-N 1 2 339.399 2.279 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(C#N)c2)C3)o1 ZINC001096983560 1243542394 /nfs/dbraw/zinc/54/23/94/1243542394.db2.gz KCCVYSNWEVIBDY-SRMUXQRQSA-N 1 2 339.399 2.279 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[NH+](Cc2ncnn2CC)CC3)C1 ZINC001050657362 1244053092 /nfs/dbraw/zinc/05/30/92/1244053092.db2.gz PVYGPVCORFXPLI-UHFFFAOYSA-N 1 2 343.475 2.079 20 30 EEEDLO C=CCOCCCC(=O)N[C@@H](C)[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097519198 1244295881 /nfs/dbraw/zinc/29/58/81/1244295881.db2.gz SCNYBEKAUSHRJY-RDJZCZTQSA-N 1 2 346.475 2.489 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001097613998 1244421576 /nfs/dbraw/zinc/42/15/76/1244421576.db2.gz STWBDPSYPHGWJJ-QRQLOZEOSA-N 1 2 334.423 2.105 20 30 EEEDLO Cc1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001097613998 1244421581 /nfs/dbraw/zinc/42/15/81/1244421581.db2.gz STWBDPSYPHGWJJ-QRQLOZEOSA-N 1 2 334.423 2.105 20 30 EEEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC001057671250 1244640947 /nfs/dbraw/zinc/64/09/47/1244640947.db2.gz PADWKQRZFFHPER-CYBMUJFWSA-N 1 2 341.390 2.076 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ocnc1-c1ccccc1 ZINC001050947655 1244693047 /nfs/dbraw/zinc/69/30/47/1244693047.db2.gz DBALWLNNYOHFNV-INIZCTEOSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ocnc1-c1ccccc1 ZINC001050947655 1244693056 /nfs/dbraw/zinc/69/30/56/1244693056.db2.gz DBALWLNNYOHFNV-INIZCTEOSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050993745 1244809313 /nfs/dbraw/zinc/80/93/13/1244809313.db2.gz OORDIGGVIFIKLQ-GJZGRUSLSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050993745 1244809326 /nfs/dbraw/zinc/80/93/26/1244809326.db2.gz OORDIGGVIFIKLQ-GJZGRUSLSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1csc(C(C)(C)C)n1 ZINC001051164567 1245070414 /nfs/dbraw/zinc/07/04/14/1245070414.db2.gz UWJJFADORLZCNR-ZDUSSCGKSA-N 1 2 337.489 2.447 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1csc(C(C)(C)C)n1 ZINC001051164567 1245070420 /nfs/dbraw/zinc/07/04/20/1245070420.db2.gz UWJJFADORLZCNR-ZDUSSCGKSA-N 1 2 337.489 2.447 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(OC)c(OCC)c1 ZINC001051235253 1245424106 /nfs/dbraw/zinc/42/41/06/1245424106.db2.gz MDRUJLUZMSKCFK-MRXNPFEDSA-N 1 2 348.443 2.101 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(OC)c(OCC)c1 ZINC001051235253 1245424107 /nfs/dbraw/zinc/42/41/07/1245424107.db2.gz MDRUJLUZMSKCFK-MRXNPFEDSA-N 1 2 348.443 2.101 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1n[nH]c2c1CCCCC2 ZINC001051244441 1245434020 /nfs/dbraw/zinc/43/40/20/1245434020.db2.gz RKISUOUAEZXWRT-OAHLLOKOSA-N 1 2 346.475 2.075 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1n[nH]c2c1CCCCC2 ZINC001051244441 1245434025 /nfs/dbraw/zinc/43/40/25/1245434025.db2.gz RKISUOUAEZXWRT-OAHLLOKOSA-N 1 2 346.475 2.075 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001051323889 1245545918 /nfs/dbraw/zinc/54/59/18/1245545918.db2.gz WVMZEIFEMCSXAT-HOTGVXAUSA-N 1 2 346.475 2.229 20 30 EEEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+]([C@H](C)c3nnc(C)[nH]3)C[C@@]2(C)C1 ZINC001101347640 1245694941 /nfs/dbraw/zinc/69/49/41/1245694941.db2.gz AJWRVJQPHZUORK-SIIHOXLZSA-N 1 2 331.464 2.311 20 30 EEEDLO C=CCCCC(=O)N1C[C@H]2C[N@H+]([C@H](C)c3nnc(C)[nH]3)C[C@@]2(C)C1 ZINC001101347640 1245694949 /nfs/dbraw/zinc/69/49/49/1245694949.db2.gz AJWRVJQPHZUORK-SIIHOXLZSA-N 1 2 331.464 2.311 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001051418958 1245701334 /nfs/dbraw/zinc/70/13/34/1245701334.db2.gz SRJLITQRGRLZDT-HOCLYGCPSA-N 1 2 344.459 2.074 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001053033804 1245727235 /nfs/dbraw/zinc/72/72/35/1245727235.db2.gz OTJGYJXAZRTGII-CABCVRRESA-N 1 2 346.475 2.254 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)CC(C)C)c1nccn12 ZINC001101648995 1246078938 /nfs/dbraw/zinc/07/89/38/1246078938.db2.gz CDWQHIKQQGFTBQ-JKSUJKDBSA-N 1 2 328.460 2.161 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)C(C)(F)F)c1nccn12 ZINC001101651503 1246083935 /nfs/dbraw/zinc/08/39/35/1246083935.db2.gz UZKCNJRHFNIPBG-LBPRGKRZSA-N 1 2 338.402 2.322 20 30 EEEDLO C=CCO[C@H](C)C(=O)N(C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC001101667616 1246102503 /nfs/dbraw/zinc/10/25/03/1246102503.db2.gz KXCLCXKVTIMJQB-CYBMUJFWSA-N 1 2 332.448 2.125 20 30 EEEDLO C=C1CCC(C(=O)N2CCO[C@H](C[NH2+][C@H](C)c3nnc(C)o3)C2)CC1 ZINC001051803490 1246124830 /nfs/dbraw/zinc/12/48/30/1246124830.db2.gz PABGYINLKSDZJT-CZUORRHYSA-N 1 2 348.447 2.002 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc3nc(C)oc3c1)CCO2 ZINC001053296923 1246154285 /nfs/dbraw/zinc/15/42/85/1246154285.db2.gz DOTHTGIGIIASPT-UHFFFAOYSA-N 1 2 341.411 2.239 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H](C)c1ccncc1)CCO2 ZINC001053307009 1246164732 /nfs/dbraw/zinc/16/47/32/1246164732.db2.gz ZLNFDAXQOOXAET-MRXNPFEDSA-N 1 2 329.444 2.065 20 30 EEEDLO C=CCCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001053307818 1246166393 /nfs/dbraw/zinc/16/63/93/1246166393.db2.gz YAHFZMVJCMFOLA-IRXDYDNUSA-N 1 2 346.475 2.230 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)Cc1ccccc1F)CCO2 ZINC001053424428 1246316987 /nfs/dbraw/zinc/31/69/87/1246316987.db2.gz KTVYCDJVXOZQFT-MRXNPFEDSA-N 1 2 346.446 2.494 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C(C)=C3CCCC3)C2)CC1 ZINC001052011032 1246375290 /nfs/dbraw/zinc/37/52/90/1246375290.db2.gz KVXIGSVOSXZPMI-IBGZPJMESA-N 1 2 329.488 2.119 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)CC3CC(F)(F)C3)C2)CC1 ZINC001052045175 1246415036 /nfs/dbraw/zinc/41/50/36/1246415036.db2.gz RBXQTZFOGGFPEH-MRXNPFEDSA-N 1 2 341.446 2.216 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3cncs3)CC2)C1 ZINC001052063380 1246434495 /nfs/dbraw/zinc/43/44/95/1246434495.db2.gz UPBDKHBLEJRSHN-OAHLLOKOSA-N 1 2 348.516 2.074 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C=C)c1ccccc1)CCO2 ZINC001053538905 1246448165 /nfs/dbraw/zinc/44/81/65/1246448165.db2.gz KQBKPPHAYCLBJV-GOSISDBHSA-N 1 2 326.440 2.446 20 30 EEEDLO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)ccc1Cl ZINC001052077933 1246453574 /nfs/dbraw/zinc/45/35/74/1246453574.db2.gz YGGMUHKNUWTWAZ-INIZCTEOSA-N 1 2 346.862 2.004 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H](N3CC[NH+](C[C@@H](F)CC)CC3)C2)C1 ZINC001052081140 1246458360 /nfs/dbraw/zinc/45/83/60/1246458360.db2.gz JICKJATXTJZWGG-DLBZAZTESA-N 1 2 337.483 2.309 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH+]3CCN(C[C@@H](F)CC)CC3)C2)C1 ZINC001052081140 1246458365 /nfs/dbraw/zinc/45/83/65/1246458365.db2.gz JICKJATXTJZWGG-DLBZAZTESA-N 1 2 337.483 2.309 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)C2)CC1 ZINC001052109896 1246490295 /nfs/dbraw/zinc/49/02/95/1246490295.db2.gz JPXRYRFLKJVICH-GUDVDZBRSA-N 1 2 331.504 2.055 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc3c(o1)CCCC3)O2 ZINC001053609576 1246528809 /nfs/dbraw/zinc/52/88/09/1246528809.db2.gz YOYHXZJFHHHKMG-OAHLLOKOSA-N 1 2 330.428 2.308 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nc3c(s1)CCC3)O2 ZINC001053628772 1246558039 /nfs/dbraw/zinc/55/80/39/1246558039.db2.gz XHSNRCXQVHHPEA-CYBMUJFWSA-N 1 2 347.484 2.171 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C(C)C)on1)O2 ZINC001053634581 1246566165 /nfs/dbraw/zinc/56/61/65/1246566165.db2.gz XGVZELUFGQAZRS-CQSZACIVSA-N 1 2 333.432 2.337 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nccc3occc31)O2 ZINC001053638863 1246573258 /nfs/dbraw/zinc/57/32/58/1246573258.db2.gz YOEDVRJJOCXFDN-CQSZACIVSA-N 1 2 341.411 2.367 20 30 EEEDLO C=CCCC(=O)N1C[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC001052186799 1246609388 /nfs/dbraw/zinc/60/93/88/1246609388.db2.gz DTJURDRCUYPDOV-GDBMZVCRSA-N 1 2 346.475 2.104 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C(F)F)o1)O2 ZINC001053693527 1246662602 /nfs/dbraw/zinc/66/26/02/1246662602.db2.gz FNZYVCHQXUZKRA-LLVKDONJSA-N 1 2 326.343 2.366 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ncccc1OC(C)C)O2 ZINC001053694048 1246664872 /nfs/dbraw/zinc/66/48/72/1246664872.db2.gz MPTVSMGHRBGQLH-HNNXBMFYSA-N 1 2 345.443 2.018 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3n(c1)CCCC3)O2 ZINC001053707750 1246687099 /nfs/dbraw/zinc/68/70/99/1246687099.db2.gz OJYJBVKCBJLVDG-SFHVURJKSA-N 1 2 343.471 2.364 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc3c1CCCC3)CO2 ZINC001053814717 1246827880 /nfs/dbraw/zinc/82/78/80/1246827880.db2.gz VKIUIDYYVSKTOM-KRWDZBQOSA-N 1 2 338.451 2.162 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1nsc3ccccc31)CO2 ZINC001053817036 1246832561 /nfs/dbraw/zinc/83/25/61/1246832561.db2.gz CZFKMXZTKYLFRA-ZDUSSCGKSA-N 1 2 343.452 2.446 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)[nH]c3ccccc31)CO2 ZINC001053862845 1246929746 /nfs/dbraw/zinc/92/97/46/1246929746.db2.gz FDTBCAOWPBSWDS-OAHLLOKOSA-N 1 2 337.423 2.073 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1cc(C)ccc1OC)CO2 ZINC001053862869 1246929838 /nfs/dbraw/zinc/92/98/38/1246929838.db2.gz CKAQLMACVFXHMJ-QGZVFWFLSA-N 1 2 344.455 2.082 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(-c3ccco3)o1)CO2 ZINC001053867400 1246937264 /nfs/dbraw/zinc/93/72/64/1246937264.db2.gz JTZXUHBRYVPFKX-AWEZNQCLSA-N 1 2 340.379 2.136 20 30 EEEDLO Fc1ccc(Cn2cc(C=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)cn2)cc1 ZINC000780237496 1246981657 /nfs/dbraw/zinc/98/16/57/1246981657.db2.gz QWBCWBZCCJOFPL-IRXDYDNUSA-N 1 2 340.406 2.264 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1oc(C3CC3)nc1C)CO2 ZINC001053951279 1247057351 /nfs/dbraw/zinc/05/73/51/1247057351.db2.gz TVFNHJQNMWRQAO-AWEZNQCLSA-N 1 2 331.416 2.010 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1[nH]ccc1-c1ccccc1)CO2 ZINC001053979453 1247102480 /nfs/dbraw/zinc/10/24/80/1247102480.db2.gz QUVLQDRWBIYTEK-KRWDZBQOSA-N 1 2 349.434 2.278 20 30 EEEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(CC)c(CC)o1)CO2 ZINC001053984149 1247106796 /nfs/dbraw/zinc/10/67/96/1247106796.db2.gz RCNLLMAMXVWUNU-HNNXBMFYSA-N 1 2 330.428 2.001 20 30 EEEDLO C=CCC1(C(=O)N(C)CCCN(C)C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001068095708 1250302844 /nfs/dbraw/zinc/30/28/44/1250302844.db2.gz QFVRUHKCBHPGTI-UHFFFAOYSA-N 1 2 332.448 2.006 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccccc1OCC)CO2 ZINC001053998642 1247129583 /nfs/dbraw/zinc/12/95/83/1247129583.db2.gz PGWJRUDZDUCLPB-OAHLLOKOSA-N 1 2 330.428 2.235 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(OC(C)C)cn1)CO2 ZINC001054026619 1247167635 /nfs/dbraw/zinc/16/76/35/1247167635.db2.gz CILSMZPMNJXTID-HNNXBMFYSA-N 1 2 345.443 2.018 20 30 EEEDLO C#CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001054034191 1247185519 /nfs/dbraw/zinc/18/55/19/1247185519.db2.gz JSGRTLNITSXLKK-SFHVURJKSA-N 1 2 336.439 2.207 20 30 EEEDLO C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1[nH]nc(C)c1C ZINC001054034191 1247185520 /nfs/dbraw/zinc/18/55/20/1247185520.db2.gz JSGRTLNITSXLKK-SFHVURJKSA-N 1 2 336.439 2.207 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccn(C(F)F)n1 ZINC001054041536 1247201238 /nfs/dbraw/zinc/20/12/38/1247201238.db2.gz NMKSBHFPGPCVMK-OAHLLOKOSA-N 1 2 344.365 2.068 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccn(C(F)F)n1 ZINC001054041536 1247201250 /nfs/dbraw/zinc/20/12/50/1247201250.db2.gz NMKSBHFPGPCVMK-OAHLLOKOSA-N 1 2 344.365 2.068 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1c(C2CC2)cnn1C ZINC001054042753 1247208018 /nfs/dbraw/zinc/20/80/18/1247208018.db2.gz GRXCGMOMBFCGEK-SFHVURJKSA-N 1 2 348.450 2.087 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1c(C2CC2)cnn1C ZINC001054042753 1247208028 /nfs/dbraw/zinc/20/80/28/1247208028.db2.gz GRXCGMOMBFCGEK-SFHVURJKSA-N 1 2 348.450 2.087 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001054048280 1247231302 /nfs/dbraw/zinc/23/13/02/1247231302.db2.gz XNIGSPJAJMBLFC-GOSISDBHSA-N 1 2 336.439 2.254 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001054048280 1247231306 /nfs/dbraw/zinc/23/13/06/1247231306.db2.gz XNIGSPJAJMBLFC-GOSISDBHSA-N 1 2 336.439 2.254 20 30 EEEDLO CC(C)c1noc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)[C@@H](C)C#N)C3)n1 ZINC001054102357 1247408771 /nfs/dbraw/zinc/40/87/71/1247408771.db2.gz MPHSQTHQUXOYIP-KBXCAEBGSA-N 1 2 345.447 2.167 20 30 EEEDLO CC(C)c1noc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)[C@@H](C)C#N)C3)n1 ZINC001054102357 1247408776 /nfs/dbraw/zinc/40/87/76/1247408776.db2.gz MPHSQTHQUXOYIP-KBXCAEBGSA-N 1 2 345.447 2.167 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cnn(C4CCC4)c3)cc2C1 ZINC001054265471 1247935599 /nfs/dbraw/zinc/93/55/99/1247935599.db2.gz PNKZUVRHVWPZMS-UHFFFAOYSA-N 1 2 334.423 2.487 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cnn(C4CCC4)c3)cc2C1 ZINC001054265471 1247935610 /nfs/dbraw/zinc/93/56/10/1247935610.db2.gz PNKZUVRHVWPZMS-UHFFFAOYSA-N 1 2 334.423 2.487 20 30 EEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C#Cc1cccs1 ZINC000827373234 1247964470 /nfs/dbraw/zinc/96/44/70/1247964470.db2.gz HNMIKQHNAPESTG-UHFFFAOYSA-N 1 2 327.409 2.278 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cnn4c3C[C@H](C)CC4)cc2C1 ZINC001054290371 1248023487 /nfs/dbraw/zinc/02/34/87/1248023487.db2.gz AJENGYYFYOCVDF-OAHLLOKOSA-N 1 2 348.450 2.344 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cnn4c3C[C@H](C)CC4)cc2C1 ZINC001054290371 1248023491 /nfs/dbraw/zinc/02/34/91/1248023491.db2.gz AJENGYYFYOCVDF-OAHLLOKOSA-N 1 2 348.450 2.344 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cccnc3OCC)cc2C1 ZINC001054291377 1248026148 /nfs/dbraw/zinc/02/61/48/1248026148.db2.gz LCIBHXILKLNXCP-UHFFFAOYSA-N 1 2 335.407 2.359 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cccnc3OCC)cc2C1 ZINC001054291377 1248026155 /nfs/dbraw/zinc/02/61/55/1248026155.db2.gz LCIBHXILKLNXCP-UHFFFAOYSA-N 1 2 335.407 2.359 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001058060628 1248380881 /nfs/dbraw/zinc/38/08/81/1248380881.db2.gz JXLQOTGJONDHQC-UHFFFAOYSA-N 1 2 348.450 2.436 20 30 EEEDLO C[C@@H]1[C@H](Nc2cccc(F)c2C#N)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001068961686 1251998566 /nfs/dbraw/zinc/99/85/66/1251998566.db2.gz BOZCURYUEAZCJZ-IAQYHMDHSA-N 1 2 327.363 2.064 20 30 EEEDLO C[C@H]1C[C@@H](Nc2ccc(C#N)nc2)CN1C(=O)c1cccc2[nH+]ccn21 ZINC001069173488 1252402634 /nfs/dbraw/zinc/40/26/34/1252402634.db2.gz SXTCJABBWNSUNT-XJKSGUPXSA-N 1 2 346.394 2.316 20 30 EEEDLO CN(C(=O)c1cccc2[nH+]ccn21)C1CC(Nc2ccc(C#N)nc2)C1 ZINC001069786659 1253267333 /nfs/dbraw/zinc/26/73/33/1253267333.db2.gz SITRJMYEENDLKQ-UHFFFAOYSA-N 1 2 346.394 2.316 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCC[C@H](F)C3)c2C1 ZINC001069859975 1253359095 /nfs/dbraw/zinc/35/90/95/1253359095.db2.gz XAKOYKLWBVIRGI-ZBFHGGJFSA-N 1 2 334.439 2.419 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCC[C@H](F)C3)c2C1 ZINC001069859975 1253359099 /nfs/dbraw/zinc/35/90/99/1253359099.db2.gz XAKOYKLWBVIRGI-ZBFHGGJFSA-N 1 2 334.439 2.419 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H](NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001071285082 1254103382 /nfs/dbraw/zinc/10/33/82/1254103382.db2.gz OOFBIEOBRWBEQJ-MRXNPFEDSA-N 1 2 344.459 2.127 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2c(Cl)cnn2C)CC[C@@H]1C ZINC001071515574 1254303501 /nfs/dbraw/zinc/30/35/01/1254303501.db2.gz VQFQDYVPZWENME-WDEREUQCSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2c(Cl)cnn2C)CC[C@@H]1C ZINC001071515574 1254303514 /nfs/dbraw/zinc/30/35/14/1254303514.db2.gz VQFQDYVPZWENME-WDEREUQCSA-N 1 2 331.247 2.409 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2cnco2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001071717436 1254561638 /nfs/dbraw/zinc/56/16/38/1254561638.db2.gz DWZATPHWLZWPIP-VXGBXAGGSA-N 1 2 330.413 2.391 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2cnco2)C[N@H+]1Cc1ccc(C#N)s1 ZINC001071717436 1254561652 /nfs/dbraw/zinc/56/16/52/1254561652.db2.gz DWZATPHWLZWPIP-VXGBXAGGSA-N 1 2 330.413 2.391 20 30 EEEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC3(F)F)C2)C1 ZINC001072704791 1255316668 /nfs/dbraw/zinc/31/66/68/1255316668.db2.gz HNQDEMDSANSMLD-JTQLQIEISA-N 1 2 335.192 2.085 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC3(F)F)C2)C1 ZINC001072704791 1255316674 /nfs/dbraw/zinc/31/66/74/1255316674.db2.gz HNQDEMDSANSMLD-JTQLQIEISA-N 1 2 335.192 2.085 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC001074264074 1256832421 /nfs/dbraw/zinc/83/24/21/1256832421.db2.gz RSQMWFYTANYVKT-YOEHRIQHSA-N 1 2 344.459 2.074 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C3(C4CC4)CCOCC3)C[C@@H]21 ZINC001074304639 1256897881 /nfs/dbraw/zinc/89/78/81/1256897881.db2.gz OBZNSMTYYBSYQQ-ROUUACIJSA-N 1 2 348.487 2.071 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C3(C4CC4)CCOCC3)C[C@@H]21 ZINC001074304639 1256897890 /nfs/dbraw/zinc/89/78/90/1256897890.db2.gz OBZNSMTYYBSYQQ-ROUUACIJSA-N 1 2 348.487 2.071 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3n[nH]c4ccccc43)C[C@H]21 ZINC001074398437 1256983173 /nfs/dbraw/zinc/98/31/73/1256983173.db2.gz YPJAFUIUURMUPM-IAGOWNOFSA-N 1 2 340.427 2.054 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3n[nH]c4ccccc43)C[C@H]21 ZINC001074398437 1256983180 /nfs/dbraw/zinc/98/31/80/1256983180.db2.gz YPJAFUIUURMUPM-IAGOWNOFSA-N 1 2 340.427 2.054 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C[C@H]21 ZINC001074403510 1256989936 /nfs/dbraw/zinc/98/99/36/1256989936.db2.gz XDHUDNQDOLFNRF-RTBURBONSA-N 1 2 337.423 2.107 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C[C@H]21 ZINC001074403510 1256989938 /nfs/dbraw/zinc/98/99/38/1256989938.db2.gz XDHUDNQDOLFNRF-RTBURBONSA-N 1 2 337.423 2.107 20 30 EEEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1cc2n(n1)CCC2 ZINC001098982113 1257906588 /nfs/dbraw/zinc/90/65/88/1257906588.db2.gz INSRKFITYAEMDZ-PBHICJAKSA-N 1 2 343.475 2.096 20 30 EEEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1cc2n(n1)CCC2 ZINC001098982113 1257906593 /nfs/dbraw/zinc/90/65/93/1257906593.db2.gz INSRKFITYAEMDZ-PBHICJAKSA-N 1 2 343.475 2.096 20 30 EEEDLO CCn1ccc(C[N@@H+]2CC(C)(C)CC[C@H]2CNC(=O)[C@@H](C)C#N)n1 ZINC001098982305 1257907452 /nfs/dbraw/zinc/90/74/52/1257907452.db2.gz JTVRDBFPPJDKJU-HOCLYGCPSA-N 1 2 331.464 2.169 20 30 EEEDLO CCn1ccc(C[N@H+]2CC(C)(C)CC[C@H]2CNC(=O)[C@@H](C)C#N)n1 ZINC001098982305 1257907460 /nfs/dbraw/zinc/90/74/60/1257907460.db2.gz JTVRDBFPPJDKJU-HOCLYGCPSA-N 1 2 331.464 2.169 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2cc(C3CC3)no2)C[C@H]1O ZINC001099946535 1258460979 /nfs/dbraw/zinc/46/09/79/1258460979.db2.gz HUPMJJCOXGGSIP-DOTOQJQBSA-N 1 2 347.459 2.206 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1O ZINC001099946535 1258460983 /nfs/dbraw/zinc/46/09/83/1258460983.db2.gz HUPMJJCOXGGSIP-DOTOQJQBSA-N 1 2 347.459 2.206 20 30 EEEDLO CC(C)=C(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001099948380 1258463385 /nfs/dbraw/zinc/46/33/85/1258463385.db2.gz AAWJKTFNWMBVLI-MOPGFXCFSA-N 1 2 341.455 2.356 20 30 EEEDLO CC(C)=C(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001099948380 1258463387 /nfs/dbraw/zinc/46/33/87/1258463387.db2.gz AAWJKTFNWMBVLI-MOPGFXCFSA-N 1 2 341.455 2.356 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@H](C)C(CC)CC)C2)nn1 ZINC001185964003 1278893574 /nfs/dbraw/zinc/89/35/74/1278893574.db2.gz SYMDTCDODNKDBX-QAPCUYQASA-N 1 2 345.491 2.237 20 30 EEEDLO C#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)c3ccc(C=C)cc3)C2)nn1 ZINC001186008602 1278906212 /nfs/dbraw/zinc/90/62/12/1278906212.db2.gz YGMDJMICNMMVHT-IBGZPJMESA-N 1 2 349.438 2.121 20 30 EEEDLO COC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110386796 1279317428 /nfs/dbraw/zinc/31/74/28/1279317428.db2.gz WOQSODXCWGGNNO-XFHKCVFHSA-N 1 2 345.418 2.201 20 30 EEEDLO COC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110386796 1279317443 /nfs/dbraw/zinc/31/74/43/1279317443.db2.gz WOQSODXCWGGNNO-XFHKCVFHSA-N 1 2 345.418 2.201 20 30 EEEDLO C#CCCC1(CCNC(=O)c2ccccc2C[NH+]2CCOCC2)N=N1 ZINC001187458799 1279547039 /nfs/dbraw/zinc/54/70/39/1279547039.db2.gz FTFNOLVEGFRYMZ-UHFFFAOYSA-N 1 2 340.427 2.214 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3nccn3CC)C[C@H]21 ZINC001187569302 1279587151 /nfs/dbraw/zinc/58/71/51/1279587151.db2.gz FJMNQZALDFRNNN-DLBZAZTESA-N 1 2 328.460 2.129 20 30 EEEDLO C#CCCCCC(=O)N1CC[C@H]2C[N@H+](Cc3nccn3CC)C[C@H]21 ZINC001187569302 1279587155 /nfs/dbraw/zinc/58/71/55/1279587155.db2.gz FJMNQZALDFRNNN-DLBZAZTESA-N 1 2 328.460 2.129 20 30 EEEDLO CCc1nnc([C@@H](C)[N@@H+]2C[C@@H]3CCN(C(=O)C#CC(C)(C)C)[C@@H]3C2)o1 ZINC001187857507 1279678185 /nfs/dbraw/zinc/67/81/85/1279678185.db2.gz NZXXZQCMLHFBKD-QLFBSQMISA-N 1 2 344.459 2.275 20 30 EEEDLO CCc1nnc([C@@H](C)[N@H+]2C[C@@H]3CCN(C(=O)C#CC(C)(C)C)[C@@H]3C2)o1 ZINC001187857507 1279678191 /nfs/dbraw/zinc/67/81/91/1279678191.db2.gz NZXXZQCMLHFBKD-QLFBSQMISA-N 1 2 344.459 2.275 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3nn(CC)nc3C)C[C@H]21 ZINC001188063988 1279756660 /nfs/dbraw/zinc/75/66/60/1279756660.db2.gz VGYFGDPFHOLPJP-DOTOQJQBSA-N 1 2 345.491 2.241 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3nn(CC)nc3C)C[C@H]21 ZINC001188063988 1279756665 /nfs/dbraw/zinc/75/66/65/1279756665.db2.gz VGYFGDPFHOLPJP-DOTOQJQBSA-N 1 2 345.491 2.241 20 30 EEEDLO Cc1cc(N(C(N)=[NH2+])C(=O)c2ccc(C#C[Si](C)(C)C)cc2)n[nH]1 ZINC001189183943 1280163726 /nfs/dbraw/zinc/16/37/26/1280163726.db2.gz MFIXEZKCGQERAD-UHFFFAOYSA-N 1 2 339.475 2.487 20 30 EEEDLO C=CCOCCCC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2ncccn2)C1 ZINC001189573117 1280396326 /nfs/dbraw/zinc/39/63/26/1280396326.db2.gz BTKHAPUESLHDAC-HZPDHXFCSA-N 1 2 332.448 2.053 20 30 EEEDLO C=CCOCCCC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2ncccn2)C1 ZINC001189573117 1280396337 /nfs/dbraw/zinc/39/63/37/1280396337.db2.gz BTKHAPUESLHDAC-HZPDHXFCSA-N 1 2 332.448 2.053 20 30 EEEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@H+](C)Cc2snnc2C)C1 ZINC001191762328 1281578658 /nfs/dbraw/zinc/57/86/58/1281578658.db2.gz ASMVDDFLQVBBQF-OAHLLOKOSA-N 1 2 334.489 2.463 20 30 EEEDLO C#CCCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2snnc2C)C1 ZINC001191762328 1281578665 /nfs/dbraw/zinc/57/86/65/1281578665.db2.gz ASMVDDFLQVBBQF-OAHLLOKOSA-N 1 2 334.489 2.463 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@H+](C)CC(=O)Nc2cc(C)on2)C1 ZINC001191911097 1281668095 /nfs/dbraw/zinc/66/80/95/1281668095.db2.gz CAHZZZKSMCZBRB-CABCVRRESA-N 1 2 348.447 2.057 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(C)on2)C1 ZINC001191911097 1281668100 /nfs/dbraw/zinc/66/81/00/1281668100.db2.gz CAHZZZKSMCZBRB-CABCVRRESA-N 1 2 348.447 2.057 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2cc3n(n2)CCC3)C1 ZINC001191902856 1281697955 /nfs/dbraw/zinc/69/79/55/1281697955.db2.gz SGTIHGMBYBJKRU-QAPCUYQASA-N 1 2 330.476 2.464 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc3n(n2)CCC3)C1 ZINC001191902856 1281697966 /nfs/dbraw/zinc/69/79/66/1281697966.db2.gz SGTIHGMBYBJKRU-QAPCUYQASA-N 1 2 330.476 2.464 20 30 EEEDLO C=CC1(CC(=O)N2CC[C@@H]([N@@H+](C)Cc3cnnn3C)C2)CCCCC1 ZINC001192818295 1282187194 /nfs/dbraw/zinc/18/71/94/1282187194.db2.gz PPVBGQDRJSSMSH-MRXNPFEDSA-N 1 2 345.491 2.374 20 30 EEEDLO C=CC1(CC(=O)N2CC[C@@H]([N@H+](C)Cc3cnnn3C)C2)CCCCC1 ZINC001192818295 1282187200 /nfs/dbraw/zinc/18/72/00/1282187200.db2.gz PPVBGQDRJSSMSH-MRXNPFEDSA-N 1 2 345.491 2.374 20 30 EEEDLO Cc1cc(C[N@@H+](C)[C@H]2CCN(C(=O)CC#Cc3ccccc3)C2)no1 ZINC001194200079 1282938775 /nfs/dbraw/zinc/93/87/75/1282938775.db2.gz JJRGICKXNVUGFX-IBGZPJMESA-N 1 2 337.423 2.458 20 30 EEEDLO Cc1cc(C[N@H+](C)[C@H]2CCN(C(=O)CC#Cc3ccccc3)C2)no1 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327.266 2.378 20 30 EEEDLO CC(C)C#CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2noc(C3CC3)n2)C12CCC2 ZINC001202878632 1372446854 /nfs/dbraw/zinc/44/68/54/1372446854.db2.gz VDUIKURLEGQTGY-CABCVRRESA-N 1 2 342.443 2.123 20 30 EEEDLO CS(=O)(=O)c1cccc(N[NH+]=C2CCCc3nc(N)ccc32)c1 ZINC000834968368 1372579157 /nfs/dbraw/zinc/57/91/57/1372579157.db2.gz JWNYKFGGSCBSPT-UHFFFAOYSA-N 1 2 330.413 2.220 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001356380908 1373198565 /nfs/dbraw/zinc/19/85/65/1373198565.db2.gz IJYUXQCIOMBYFC-HZPDHXFCSA-N 1 2 347.507 2.293 20 30 EEEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1ccnn1CC ZINC001372686304 1376141256 /nfs/dbraw/zinc/14/12/56/1376141256.db2.gz DDXSXFOIVRTGPT-UHFFFAOYSA-N 1 2 343.269 2.253 20 30 EEEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1ccnn1CC ZINC001372686304 1376141259 /nfs/dbraw/zinc/14/12/59/1376141259.db2.gz DDXSXFOIVRTGPT-UHFFFAOYSA-N 1 2 343.269 2.253 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CCCC(=O)NCC ZINC001390159964 1388470380 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CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(F)ccc3Cl)[C@H]2C1 ZINC001083203890 757981631 /nfs/dbraw/zinc/98/16/31/757981631.db2.gz LYIXUOMVWCYWMQ-JKSUJKDBSA-N 1 2 336.794 2.028 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(F)ccc3Cl)[C@H]2C1 ZINC001083203890 757981639 /nfs/dbraw/zinc/98/16/39/757981639.db2.gz LYIXUOMVWCYWMQ-JKSUJKDBSA-N 1 2 336.794 2.028 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C(C)(C)C)oc3C)[C@H]2C1 ZINC001083207392 758128561 /nfs/dbraw/zinc/12/85/61/758128561.db2.gz VHTRAJGPXWFFCL-DLBZAZTESA-N 1 2 344.455 2.434 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C(C)(C)C)oc3C)[C@H]2C1 ZINC001083207392 758128566 /nfs/dbraw/zinc/12/85/66/758128566.db2.gz VHTRAJGPXWFFCL-DLBZAZTESA-N 1 2 344.455 2.434 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C2CC2)no1 ZINC001111488820 758368111 /nfs/dbraw/zinc/36/81/11/758368111.db2.gz WKMHEVRHHYINDP-GGBBIFEXSA-N 1 2 345.443 2.365 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C2CC2)no1 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C=CCOCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(Cl)n2)C1 ZINC001131945925 783509090 /nfs/dbraw/zinc/50/90/90/783509090.db2.gz DCFJXRKAYRNYJN-DZGCQCFKSA-N 1 2 337.851 2.407 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2nsc3ccccc32)C1 ZINC001035374613 784394798 /nfs/dbraw/zinc/39/47/98/784394798.db2.gz HAMMJUQDWMUYKN-ZDUSSCGKSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2nsc3ccccc32)C1 ZINC001035374613 784394803 /nfs/dbraw/zinc/39/48/03/784394803.db2.gz HAMMJUQDWMUYKN-ZDUSSCGKSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c(C)nn(C(C)(C)C)c2C)C1 ZINC001035385427 784422885 /nfs/dbraw/zinc/42/28/85/784422885.db2.gz AOQNVCOSDYHZPD-MRXNPFEDSA-N 1 2 348.491 2.262 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2c(C)nn(C(C)(C)C)c2C)C1 ZINC001035385427 784422894 /nfs/dbraw/zinc/42/28/94/784422894.db2.gz AOQNVCOSDYHZPD-MRXNPFEDSA-N 1 2 348.491 2.262 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC001035389848 784430344 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C=CCNC(=O)C[NH2+][C@@H](c1nc(Br)cs1)C1CC1 ZINC000817580548 784846524 /nfs/dbraw/zinc/84/65/24/784846524.db2.gz LCFDEKZMEVSBCA-LLVKDONJSA-N 1 2 330.251 2.249 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)Cc1cncs1)CC2 ZINC001035726903 785027036 /nfs/dbraw/zinc/02/70/36/785027036.db2.gz HLIHNTBYOISPFP-UHFFFAOYSA-N 1 2 325.865 2.363 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCc3n[nH]cc3C1)CC2 ZINC001035835308 785255804 /nfs/dbraw/zinc/25/58/04/785255804.db2.gz WDDCRRNCROIWME-AWEZNQCLSA-N 1 2 348.878 2.192 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000946001839 785279340 /nfs/dbraw/zinc/27/93/40/785279340.db2.gz OPRXHSASJXSUHX-CABCVRRESA-N 1 2 344.459 2.004 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001078994903 785593366 /nfs/dbraw/zinc/59/33/66/785593366.db2.gz JLAGZQKIJZYMRB-IAGOWNOFSA-N 1 2 346.475 2.325 20 30 EEEDLO CC(C)c1noc([C@@H](C)[NH2+][C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)n1 ZINC000995791340 785718755 /nfs/dbraw/zinc/71/87/55/785718755.db2.gz KUITWSGYFRFNJT-UKRRQHHQSA-N 1 2 344.459 2.494 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@@H](OCC)C(=C)C)CC2)C1 ZINC001105709237 786377091 /nfs/dbraw/zinc/37/70/91/786377091.db2.gz BIQMEKFSAMAMHO-GOSISDBHSA-N 1 2 336.476 2.236 20 30 EEEDLO N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000821621007 786826525 /nfs/dbraw/zinc/82/65/25/786826525.db2.gz CSCGMHQGJOHSFO-MRXNPFEDSA-N 1 2 345.362 2.288 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)oc3C)C[C@H]2O)CC1 ZINC001090548255 786832880 /nfs/dbraw/zinc/83/28/80/786832880.db2.gz VTSNPNGYWZTAHK-FUHWJXTLSA-N 1 2 347.459 2.089 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)oc3C)C[C@H]2O)CC1 ZINC001090548255 786832892 /nfs/dbraw/zinc/83/28/92/786832892.db2.gz VTSNPNGYWZTAHK-FUHWJXTLSA-N 1 2 347.459 2.089 20 30 EEEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)C ZINC001109604617 805756297 /nfs/dbraw/zinc/75/62/97/805756297.db2.gz RPZPRVYYNUZPDC-SQNIBIBYSA-N 1 2 347.503 2.064 20 30 EEEDLO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)C ZINC001109604617 805756301 /nfs/dbraw/zinc/75/63/01/805756301.db2.gz RPZPRVYYNUZPDC-SQNIBIBYSA-N 1 2 347.503 2.064 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC/C=C/CNc1[nH+]cnc2c1cnn2C ZINC001107462708 787312908 /nfs/dbraw/zinc/31/29/08/787312908.db2.gz VPNYMRLSRHWDMQ-URWSZGRFSA-N 1 2 328.420 2.050 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)NC/C=C/CNc1[nH+]cnc2c1cnn2C ZINC001107495832 787417211 /nfs/dbraw/zinc/41/72/11/787417211.db2.gz NCQWSWPBKWWPNW-OZSKJFCKSA-N 1 2 328.420 2.050 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001062173946 787538887 /nfs/dbraw/zinc/53/88/87/787538887.db2.gz ZWXIDQOYDSCTAA-OAHLLOKOSA-N 1 2 346.475 2.442 20 30 EEEDLO C#CCCCCCC(=O)N1CCCC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001062298247 787828407 /nfs/dbraw/zinc/82/84/07/787828407.db2.gz VCKJPVIZPAHLJH-MRXNPFEDSA-N 1 2 344.459 2.033 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3ccccc3n2)[C@H](O)C1 ZINC001090752218 788071852 /nfs/dbraw/zinc/07/18/52/788071852.db2.gz QXDRCJPPKNNLGC-DOTOQJQBSA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3ccccc3n2)[C@H](O)C1 ZINC001090752218 788071857 /nfs/dbraw/zinc/07/18/57/788071857.db2.gz QXDRCJPPKNNLGC-DOTOQJQBSA-N 1 2 345.830 2.152 20 30 EEEDLO Cc1cc(NC[C@@H](C)NC(=O)c2c[nH]c(C#N)c2)nc(C(C)C)[nH+]1 ZINC001107695268 788084627 /nfs/dbraw/zinc/08/46/27/788084627.db2.gz AHWTXVBEMIYCFG-GFCCVEGCSA-N 1 2 326.404 2.339 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCC1 ZINC001109683296 805872162 /nfs/dbraw/zinc/87/21/62/805872162.db2.gz FWZIWWGJJGRKIN-YLAKUSLOSA-N 1 2 347.503 2.369 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCC1 ZINC001109683296 805872171 /nfs/dbraw/zinc/87/21/71/805872171.db2.gz FWZIWWGJJGRKIN-YLAKUSLOSA-N 1 2 347.503 2.369 20 30 EEEDLO C[C@@]1(CNC(=O)C2CC=CC2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107833816 788647342 /nfs/dbraw/zinc/64/73/42/788647342.db2.gz PJHWUKNVIBWCHK-HXUWFJFHSA-N 1 2 339.439 2.232 20 30 EEEDLO C[C@@]1(CNC(=O)C2CC=CC2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107833816 788647347 /nfs/dbraw/zinc/64/73/47/788647347.db2.gz PJHWUKNVIBWCHK-HXUWFJFHSA-N 1 2 339.439 2.232 20 30 EEEDLO Cc1cccn2cc(CC(=O)N[C@H](C)CNc3ccc(C#N)nc3)[nH+]c12 ZINC001107844176 788699197 /nfs/dbraw/zinc/69/91/97/788699197.db2.gz VYUFADHLJYJVNT-CQSZACIVSA-N 1 2 348.410 2.069 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060805185 789168120 /nfs/dbraw/zinc/16/81/20/789168120.db2.gz QKOQUTLJXNUIIR-SHTZXODSSA-N 1 2 332.448 2.100 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)[C@]34C[C@H]3CCC4)CC2)C1 ZINC001105717057 789216326 /nfs/dbraw/zinc/21/63/26/789216326.db2.gz FFFFCGZKATUABA-OXQOHEQNSA-N 1 2 348.487 2.071 20 30 EEEDLO C#CCCCCC(=O)NCC1CC([NH2+]Cc2nnsc2Cl)C1 ZINC001100259790 789400116 /nfs/dbraw/zinc/40/01/16/789400116.db2.gz UVPPXFBCRCFGSO-UHFFFAOYSA-N 1 2 340.880 2.370 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cccc(Cl)c2)C1 ZINC001108180003 789535870 /nfs/dbraw/zinc/53/58/70/789535870.db2.gz ZHDLJNUNRBIFEC-GOSISDBHSA-N 1 2 334.847 2.113 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cccc(Cl)c2)C1 ZINC001108180003 789535880 /nfs/dbraw/zinc/53/58/80/789535880.db2.gz ZHDLJNUNRBIFEC-GOSISDBHSA-N 1 2 334.847 2.113 20 30 EEEDLO C[C@H](CC(=O)O[C@H](C)C(=O)Nc1ccccc1C#N)n1cc[nH+]c1 ZINC000845278927 789706615 /nfs/dbraw/zinc/70/66/15/789706615.db2.gz XOITYVIYXWNNAG-CHWSQXEVSA-N 1 2 326.356 2.276 20 30 EEEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000921581430 789797881 /nfs/dbraw/zinc/79/78/81/789797881.db2.gz NAEMJHPTUAIXCU-QZTJIDSGSA-N 1 2 344.459 2.441 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC1(CNC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001062883419 789980260 /nfs/dbraw/zinc/98/02/60/789980260.db2.gz RCIYECSDWFHEMX-CQSZACIVSA-N 1 2 332.448 2.100 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001060330865 790141908 /nfs/dbraw/zinc/14/19/08/790141908.db2.gz IMGGFKFBAZHSGD-HNAYVOBHSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001060330865 790141913 /nfs/dbraw/zinc/14/19/13/790141913.db2.gz IMGGFKFBAZHSGD-HNAYVOBHSA-N 1 2 346.475 2.299 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001060863541 790152608 /nfs/dbraw/zinc/15/26/08/790152608.db2.gz NNBDSYTXVOPHLS-CYBMUJFWSA-N 1 2 341.390 2.314 20 30 EEEDLO COc1ccnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)c1 ZINC001032556288 791174184 /nfs/dbraw/zinc/17/41/84/791174184.db2.gz YBQWTJHQXJMVMC-IRXDYDNUSA-N 1 2 348.406 2.061 20 30 EEEDLO COc1ccnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)c1 ZINC001032556288 791174191 /nfs/dbraw/zinc/17/41/91/791174191.db2.gz YBQWTJHQXJMVMC-IRXDYDNUSA-N 1 2 348.406 2.061 20 30 EEEDLO Cc1nsc(NC[C@H]2CCCN2C(=O)Cc2[nH]c[nH+]c2C)c1C#N ZINC001063506415 791176609 /nfs/dbraw/zinc/17/66/09/791176609.db2.gz ZBFSUYFEYYXELC-GFCCVEGCSA-N 1 2 344.444 2.000 20 30 EEEDLO C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ncccc1C#N)n1cc[nH+]c1 ZINC001063566773 791335576 /nfs/dbraw/zinc/33/55/76/791335576.db2.gz KJBLOOOZNUNAMK-GOEBONIOSA-N 1 2 338.415 2.204 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2nocc2C)[C@@H]1C ZINC001088911075 791504092 /nfs/dbraw/zinc/50/40/92/791504092.db2.gz YDCUGVLPCXBZLK-CVYDXHPNSA-N 1 2 347.459 2.433 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nocc2C)[C@@H]1C ZINC001088911075 791504099 /nfs/dbraw/zinc/50/40/99/791504099.db2.gz YDCUGVLPCXBZLK-CVYDXHPNSA-N 1 2 347.459 2.433 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cc3ccccc3n2)[C@H]1C ZINC001088987448 791823377 /nfs/dbraw/zinc/82/33/77/791823377.db2.gz BSBIWGZAYLLMNG-HIFRSBDPSA-N 1 2 332.835 2.368 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cc3ccccc3n2)[C@H]1C ZINC001088987448 791823383 /nfs/dbraw/zinc/82/33/83/791823383.db2.gz BSBIWGZAYLLMNG-HIFRSBDPSA-N 1 2 332.835 2.368 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)s3)[C@@H]2C)cn1 ZINC001088991370 791840731 /nfs/dbraw/zinc/84/07/31/791840731.db2.gz WFDPBGNRSHCADC-CJNGLKHVSA-N 1 2 340.452 2.221 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)s3)[C@@H]2C)cn1 ZINC001088991370 791840735 /nfs/dbraw/zinc/84/07/35/791840735.db2.gz WFDPBGNRSHCADC-CJNGLKHVSA-N 1 2 340.452 2.221 20 30 EEEDLO Cc1ccccc1CNC(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000063457640 791860566 /nfs/dbraw/zinc/86/05/66/791860566.db2.gz HBHBWXLQJRCQKO-UHFFFAOYSA-N 1 2 329.375 2.396 20 30 EEEDLO Cc1nc(N[C@H](C)[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)cc[nH+]1 ZINC001063878331 791872423 /nfs/dbraw/zinc/87/24/23/791872423.db2.gz RXIICWORPQLWPH-OCCSQVGLSA-N 1 2 338.415 2.338 20 30 EEEDLO Cc1nc(N[C@H](C)[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)cc[nH+]1 ZINC001063882575 791879418 /nfs/dbraw/zinc/87/94/18/791879418.db2.gz IXQNICGQUAPZAA-IUODEOHRSA-N 1 2 338.415 2.338 20 30 EEEDLO C=CCOCC(=O)N1CC2(C[C@H]1C)CCN(c1cc[nH+]c(C)n1)CC2 ZINC001091652225 791931567 /nfs/dbraw/zinc/93/15/67/791931567.db2.gz SEXDOGCMICBMEA-OAHLLOKOSA-N 1 2 344.459 2.195 20 30 EEEDLO C=CC(C)(C)CC(=O)NC1(CNC(=O)CCc2[nH+]ccn2C)CCC1 ZINC001063969487 792032229 /nfs/dbraw/zinc/03/22/29/792032229.db2.gz CFJIDXUYPMDGOP-UHFFFAOYSA-N 1 2 346.475 2.110 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(-n3ccnn3)c2)[C@H]1C ZINC001089077624 792132253 /nfs/dbraw/zinc/13/22/53/792132253.db2.gz QHRPTEZIMXUMKD-CJNGLKHVSA-N 1 2 345.834 2.212 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3ccnn3)c2)[C@H]1C ZINC001089077624 792132262 /nfs/dbraw/zinc/13/22/62/792132262.db2.gz QHRPTEZIMXUMKD-CJNGLKHVSA-N 1 2 345.834 2.212 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@H+](Cc1cn(C(C)C)nn1)C2 ZINC001148110682 792158311 /nfs/dbraw/zinc/15/83/11/792158311.db2.gz CYRNEDVGILOXSG-UHFFFAOYSA-N 1 2 343.475 2.087 20 30 EEEDLO CC#CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1cn(C(C)C)nn1)C2 ZINC001148110682 792158315 /nfs/dbraw/zinc/15/83/15/792158315.db2.gz CYRNEDVGILOXSG-UHFFFAOYSA-N 1 2 343.475 2.087 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3c[nH]cc4ncnc3-4)C[C@]2(C)C1 ZINC001091688179 792269612 /nfs/dbraw/zinc/26/96/12/792269612.db2.gz WTLCMKNBPYEJGR-PXAZEXFGSA-N 1 2 345.834 2.104 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH]cc4ncnc3-4)C[C@]2(C)C1 ZINC001091688179 792269622 /nfs/dbraw/zinc/26/96/22/792269622.db2.gz WTLCMKNBPYEJGR-PXAZEXFGSA-N 1 2 345.834 2.104 20 30 EEEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2nnc(CC)o2)C3)CCC1 ZINC001148250506 792280352 /nfs/dbraw/zinc/28/03/52/792280352.db2.gz YLBVRDVBHHOBTL-UHFFFAOYSA-N 1 2 344.459 2.413 20 30 EEEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2nnc(CC)o2)C3)CCC1 ZINC001148250506 792280362 /nfs/dbraw/zinc/28/03/62/792280362.db2.gz YLBVRDVBHHOBTL-UHFFFAOYSA-N 1 2 344.459 2.413 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(CC)(CC)CC)C2 ZINC001109887239 806145757 /nfs/dbraw/zinc/14/57/57/806145757.db2.gz XBJHWMCSQWWGEH-PMPSAXMXSA-N 1 2 335.492 2.227 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(CC)(CC)CC)C2 ZINC001109887239 806145763 /nfs/dbraw/zinc/14/57/63/806145763.db2.gz XBJHWMCSQWWGEH-PMPSAXMXSA-N 1 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794063697 /nfs/dbraw/zinc/06/36/97/794063697.db2.gz LQZAEQFSTSSTJU-FDQGKXFDSA-N 1 2 348.878 2.380 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCc4[nH]cnc4C3)CCC[C@@H]12 ZINC000992427572 794063701 /nfs/dbraw/zinc/06/37/01/794063701.db2.gz LQZAEQFSTSSTJU-FDQGKXFDSA-N 1 2 348.878 2.380 20 30 EEEDLO CCc1nc(N2CC[C@@]3(CNC(=O)[C@@H](C)C#N)CCC[C@@H]23)cc(C)[nH+]1 ZINC001092687291 794202217 /nfs/dbraw/zinc/20/22/17/794202217.db2.gz TWWWSXVVNCHJSQ-ZBQZNYHESA-N 1 2 341.459 2.372 20 30 EEEDLO C=CCOCC(=O)NCc1ccccc1CN(C)c1cc[nH+]c(C)n1 ZINC001111626779 794283788 /nfs/dbraw/zinc/28/37/88/794283788.db2.gz UQYOWPKVRGAZIX-UHFFFAOYSA-N 1 2 340.427 2.240 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1ccccn1 ZINC001079350108 794639127 /nfs/dbraw/zinc/63/91/27/794639127.db2.gz ITPWIDVHIJMHIP-FZKQIMNGSA-N 1 2 338.386 2.343 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1ccccn1 ZINC001079350108 794639133 /nfs/dbraw/zinc/63/91/33/794639133.db2.gz ITPWIDVHIJMHIP-FZKQIMNGSA-N 1 2 338.386 2.343 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1cncs1 ZINC001079463831 794798459 /nfs/dbraw/zinc/79/84/59/794798459.db2.gz PDPIOHILWPFJBB-IAQYHMDHSA-N 1 2 344.415 2.404 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1cncs1 ZINC001079463831 794798466 /nfs/dbraw/zinc/79/84/66/794798466.db2.gz PDPIOHILWPFJBB-IAQYHMDHSA-N 1 2 344.415 2.404 20 30 EEEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001032718012 794801520 /nfs/dbraw/zinc/80/15/20/794801520.db2.gz DSZZHDIJAWUETJ-XDQVBPFNSA-N 1 2 334.341 2.126 20 30 EEEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001032718012 794801523 /nfs/dbraw/zinc/80/15/23/794801523.db2.gz DSZZHDIJAWUETJ-XDQVBPFNSA-N 1 2 334.341 2.126 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccc(C)o2)C1 ZINC001079592757 794997038 /nfs/dbraw/zinc/99/70/38/794997038.db2.gz XDFNIWUFELRGOX-QMTHXVAHSA-N 1 2 341.249 2.476 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccc(C)o2)C1 ZINC001079592757 794997044 /nfs/dbraw/zinc/99/70/44/794997044.db2.gz XDFNIWUFELRGOX-QMTHXVAHSA-N 1 2 341.249 2.476 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3cc(C)ccn32)C1 ZINC001079757694 795168969 /nfs/dbraw/zinc/16/89/69/795168969.db2.gz QVPTYHASRHSXCM-TZMCWYRMSA-N 1 2 332.835 2.445 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc3cc(C)ccn32)C1 ZINC001079757694 795168975 /nfs/dbraw/zinc/16/89/75/795168975.db2.gz QVPTYHASRHSXCM-TZMCWYRMSA-N 1 2 332.835 2.445 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3Cc3noc(CC)n3)C2)C1 ZINC001036816467 795236292 /nfs/dbraw/zinc/23/62/92/795236292.db2.gz VJUZBHKQWYEMDY-CABCVRRESA-N 1 2 344.459 2.411 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3Cc3noc(CC)n3)C2)C1 ZINC001036816467 795236298 /nfs/dbraw/zinc/23/62/98/795236298.db2.gz VJUZBHKQWYEMDY-CABCVRRESA-N 1 2 344.459 2.411 20 30 EEEDLO C[C@H](CNc1cccc(F)c1C#N)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001107992561 795244411 /nfs/dbraw/zinc/24/44/11/795244411.db2.gz ZFMRJYCNFFJZRX-OLZOCXBDSA-N 1 2 341.390 2.073 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC001079936255 795364218 /nfs/dbraw/zinc/36/42/18/795364218.db2.gz WHAXSCPFMLQZSW-FBIMIBRVSA-N 1 2 337.208 2.377 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC001079936255 795364226 /nfs/dbraw/zinc/36/42/26/795364226.db2.gz WHAXSCPFMLQZSW-FBIMIBRVSA-N 1 2 337.208 2.377 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(C3CCCCC3)n[nH]2)C1 ZINC001107999805 795389217 /nfs/dbraw/zinc/38/92/17/795389217.db2.gz HPPLVILKNHXBNZ-LJQANCHMSA-N 1 2 346.475 2.464 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(C3CCCCC3)n[nH]2)C1 ZINC001107999805 795389223 /nfs/dbraw/zinc/38/92/23/795389223.db2.gz HPPLVILKNHXBNZ-LJQANCHMSA-N 1 2 346.475 2.464 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CCn3cccc3)CC2)C1 ZINC001093588466 795401426 /nfs/dbraw/zinc/40/14/26/795401426.db2.gz NPMYHCPVPPINOQ-UHFFFAOYSA-N 1 2 331.460 2.146 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@@H](C)n3cccn3)CC2)C1 ZINC001093588810 795402230 /nfs/dbraw/zinc/40/22/30/795402230.db2.gz BKAOPZUAJCOCBL-MRXNPFEDSA-N 1 2 346.475 2.102 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@]3(C)CCO[C@H]3C)CC2)C1 ZINC001093556776 795411248 /nfs/dbraw/zinc/41/12/48/795411248.db2.gz FNNDILCUWKSKDH-KXBFYZLASA-N 1 2 336.476 2.069 20 30 EEEDLO C=C1CCC(C(=O)N2CC(N(CC)C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001079965862 795413439 /nfs/dbraw/zinc/41/34/39/795413439.db2.gz BUOGQIVDMYKXQS-UHFFFAOYSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C1CCC(C(=O)N2CC(N(CC)C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001079965862 795413444 /nfs/dbraw/zinc/41/34/44/795413444.db2.gz BUOGQIVDMYKXQS-UHFFFAOYSA-N 1 2 344.459 2.148 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cc4n(c3)CCCC4)CC2)C1 ZINC001093603660 795445461 /nfs/dbraw/zinc/44/54/61/795445461.db2.gz GKSVQJDUTNPJNV-UHFFFAOYSA-N 1 2 343.471 2.316 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCN(C)c3ccccc32)C1 ZINC001108003626 795465969 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/nfs/dbraw/zinc/37/59/67/802375967.db2.gz ACKHTDWJQKGEJF-CHWSQXEVSA-N 1 2 328.865 2.228 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cnnc3ccccc32)CC1 ZINC001004580822 802415233 /nfs/dbraw/zinc/41/52/33/802415233.db2.gz QPRJWRIUCLWGNV-IBGZPJMESA-N 1 2 349.438 2.470 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cnnc3ccccc32)CC1 ZINC001004580822 802415238 /nfs/dbraw/zinc/41/52/38/802415238.db2.gz QPRJWRIUCLWGNV-IBGZPJMESA-N 1 2 349.438 2.470 20 30 EEEDLO C[C@@H](CCCCNc1ncc(C#N)cc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001090108522 802775240 /nfs/dbraw/zinc/77/52/40/802775240.db2.gz NHOXXFVUJYNMQD-LBPRGKRZSA-N 1 2 344.394 2.145 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2oc(CC(C)C)nc2C)C1 ZINC001108267595 802782479 /nfs/dbraw/zinc/78/24/79/802782479.db2.gz FNMDZKFAFAGZPC-GOSISDBHSA-N 1 2 335.448 2.188 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2oc(CC(C)C)nc2C)C1 ZINC001108267595 802782484 /nfs/dbraw/zinc/78/24/84/802782484.db2.gz FNMDZKFAFAGZPC-GOSISDBHSA-N 1 2 335.448 2.188 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CC[C@@H]3CCCOC3)c2C1 ZINC001128536532 802831090 /nfs/dbraw/zinc/83/10/90/802831090.db2.gz YCOCOABZMNQPOO-INIZCTEOSA-N 1 2 346.475 2.098 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CC[C@@H]3CCCOC3)c2C1 ZINC001128536532 802831094 /nfs/dbraw/zinc/83/10/94/802831094.db2.gz YCOCOABZMNQPOO-INIZCTEOSA-N 1 2 346.475 2.098 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001033236287 803453348 /nfs/dbraw/zinc/45/33/48/803453348.db2.gz CREJCDILGYJRFC-KRWDZBQOSA-N 1 2 349.862 2.222 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC001033236287 803453353 /nfs/dbraw/zinc/45/33/53/803453353.db2.gz CREJCDILGYJRFC-KRWDZBQOSA-N 1 2 349.862 2.222 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C[C@@H](C)C3CCCCC3)CC2=O)C1 ZINC001108580457 804189589 /nfs/dbraw/zinc/18/95/89/804189589.db2.gz MFPPKXPLAFSSIS-WBVHZDCISA-N 1 2 347.503 2.180 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1F ZINC001109273753 805223657 /nfs/dbraw/zinc/22/36/57/805223657.db2.gz RLPUDYQJTJBXED-PVAVHDDUSA-N 1 2 348.393 2.226 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1F ZINC001109273753 805223662 /nfs/dbraw/zinc/22/36/62/805223662.db2.gz RLPUDYQJTJBXED-PVAVHDDUSA-N 1 2 348.393 2.226 20 30 EEEDLO Cc1nsc(NCCCN(C)C(=O)CCCn2cc[nH+]c2)c1C#N ZINC001109470242 805521301 /nfs/dbraw/zinc/52/13/01/805521301.db2.gz RGOCGSNUKMSPPF-UHFFFAOYSA-N 1 2 346.460 2.261 20 30 EEEDLO CCc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#CCOC)s1 ZINC001109494634 805560102 /nfs/dbraw/zinc/56/01/02/805560102.db2.gz JEMVOLKLLGNPRY-KBMXLJTQSA-N 1 2 332.469 2.295 20 30 EEEDLO CCc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#CCOC)s1 ZINC001109494634 805560106 /nfs/dbraw/zinc/56/01/06/805560106.db2.gz JEMVOLKLLGNPRY-KBMXLJTQSA-N 1 2 332.469 2.295 20 30 EEEDLO C#CCOc1ccccc1C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000787288063 807067682 /nfs/dbraw/zinc/06/76/82/807067682.db2.gz GNAXABANKVMFPT-GOSISDBHSA-N 1 2 341.455 2.276 20 30 EEEDLO C#CCOc1ccccc1C[N@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000787288063 807067691 /nfs/dbraw/zinc/06/76/91/807067691.db2.gz GNAXABANKVMFPT-GOSISDBHSA-N 1 2 341.455 2.276 20 30 EEEDLO C=CCCOCC(=O)N1CCC[C@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112794385 807261213 /nfs/dbraw/zinc/26/12/13/807261213.db2.gz HIMZWDVKKRRSTR-KRWDZBQOSA-N 1 2 346.475 2.422 20 30 EEEDLO C=C(C)[C@H](CC(=O)NC1CC(CNc2cc[nH+]c(C)n2)C1)OCC ZINC001112856629 807469888 /nfs/dbraw/zinc/46/98/88/807469888.db2.gz KZIIRJAVNNOLLT-GPANFISMSA-N 1 2 332.448 2.463 20 30 EEEDLO C[C@@H](CC(=O)NC1CC(CNc2ncccc2C#N)C1)n1cc[nH+]c1 ZINC001112871646 807516786 /nfs/dbraw/zinc/51/67/86/807516786.db2.gz FFMMAUZGODKMFJ-HLIUYOAVSA-N 1 2 338.415 2.108 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CCc2cnn(CC)c2)CC1 ZINC001112885501 807539837 /nfs/dbraw/zinc/53/98/37/807539837.db2.gz BBLGMRCNLLIHKF-UHFFFAOYSA-N 1 2 330.476 2.358 20 30 EEEDLO C=C(C)[C@H](CC(=O)N1CC[NH+](CCc2ccns2)CC1)OCC ZINC001112908924 807589243 /nfs/dbraw/zinc/58/92/43/807589243.db2.gz IVYUFVXXBYLINT-INIZCTEOSA-N 1 2 337.489 2.201 20 30 EEEDLO CCOC1CC(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000788747935 807684092 /nfs/dbraw/zinc/68/40/92/807684092.db2.gz SPWHFHVGRRCJHF-UHFFFAOYSA-N 1 2 341.455 2.408 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@H](C)c2c(F)cccc2F)CC1 ZINC001113102521 808122420 /nfs/dbraw/zinc/12/24/20/808122420.db2.gz OMCTVORVZNPTHX-CQSZACIVSA-N 1 2 338.398 2.415 20 30 EEEDLO C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@@H](C)Nc1cccc(F)c1C#N ZINC001113116143 808164742 /nfs/dbraw/zinc/16/47/42/808164742.db2.gz DGWYQHCWGPFLRE-CHWSQXEVSA-N 1 2 343.406 2.369 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001113185122 808403296 /nfs/dbraw/zinc/40/32/96/808403296.db2.gz DRSGFDBSXLACFK-UONOGXRCSA-N 1 2 345.491 2.372 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001113185122 808403300 /nfs/dbraw/zinc/40/33/00/808403300.db2.gz DRSGFDBSXLACFK-UONOGXRCSA-N 1 2 345.491 2.372 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](C[C@H](O)c2cccc(OC)c2)CC1 ZINC001113243080 808549683 /nfs/dbraw/zinc/54/96/83/808549683.db2.gz DCKGUVPUKRCDFN-APWZRJJASA-N 1 2 346.471 2.475 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)C2(c3cccnc3)CCCC2)CC1 ZINC001113263017 808594544 /nfs/dbraw/zinc/59/45/44/808594544.db2.gz DDCWXGQODJDJQL-UHFFFAOYSA-N 1 2 343.471 2.240 20 30 EEEDLO COc1cc(C#N)ccc1OCCCC(=O)OCc1cc[nH+]c(N)c1 ZINC000791732817 809390624 /nfs/dbraw/zinc/39/06/24/809390624.db2.gz OHPBCLCPZNEZBG-UHFFFAOYSA-N 1 2 341.367 2.446 20 30 EEEDLO C#C[C@@H](CCC)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000791750973 809406009 /nfs/dbraw/zinc/40/60/09/809406009.db2.gz TYPRWDBZVQJGOB-WBVHZDCISA-N 1 2 331.435 2.254 20 30 EEEDLO C=C[C@H](CC(=O)N1CC[NH+](CCn2cccn2)CC1)c1ccccc1 ZINC001113667121 809491679 /nfs/dbraw/zinc/49/16/79/809491679.db2.gz PDSHGUKSFVJDCL-GOSISDBHSA-N 1 2 338.455 2.387 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC001113710305 809614043 /nfs/dbraw/zinc/61/40/43/809614043.db2.gz KGFKENVXROAOLI-INIZCTEOSA-N 1 2 332.444 2.068 20 30 EEEDLO CCOC(=O)[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)[C@@H](C)O ZINC001170369644 809910253 /nfs/dbraw/zinc/91/02/53/809910253.db2.gz YHSGUNQOGVZZNF-HCMQPCSISA-N 1 2 330.428 2.293 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2C(NC(=O)/C=C(/C)C3CC3)[C@@H]2C1 ZINC001113956565 810111978 /nfs/dbraw/zinc/11/19/78/810111978.db2.gz MWWFHSNJWPCPSF-ZGIVULIJSA-N 1 2 325.250 2.298 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2C(NC(=O)/C=C(/C)C3CC3)[C@@H]2C1 ZINC001113956565 810111981 /nfs/dbraw/zinc/11/19/81/810111981.db2.gz MWWFHSNJWPCPSF-ZGIVULIJSA-N 1 2 325.250 2.298 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3ncccc32)[C@H](O)C1 ZINC001090472794 810113844 /nfs/dbraw/zinc/11/38/44/810113844.db2.gz QSDULFSTQFLZRH-DLBZAZTESA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3ncccc32)[C@H](O)C1 ZINC001090472794 810113845 /nfs/dbraw/zinc/11/38/45/810113845.db2.gz QSDULFSTQFLZRH-DLBZAZTESA-N 1 2 345.830 2.152 20 30 EEEDLO CO[C@@H](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114021842 810199312 /nfs/dbraw/zinc/19/93/12/810199312.db2.gz PXMAPRQQSBYNFV-HWLIBYHHSA-N 1 2 346.858 2.163 20 30 EEEDLO CO[C@@H](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@H]21 ZINC001114021842 810199315 /nfs/dbraw/zinc/19/93/15/810199315.db2.gz PXMAPRQQSBYNFV-HWLIBYHHSA-N 1 2 346.858 2.163 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NC1(CNc2cc[nH+]c(C)n2)CCCCC1 ZINC001114162794 810482400 /nfs/dbraw/zinc/48/24/00/810482400.db2.gz RFHWNHKLLQTSBK-KRWDZBQOSA-N 1 2 332.448 2.343 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001114237283 810656863 /nfs/dbraw/zinc/65/68/63/810656863.db2.gz JKKXAYHBBINHMR-HWWDLCQESA-N 1 2 329.444 2.178 20 30 EEEDLO CC(C)C#CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)on3)C[C@H]21 ZINC001114237283 810656869 /nfs/dbraw/zinc/65/68/69/810656869.db2.gz JKKXAYHBBINHMR-HWWDLCQESA-N 1 2 329.444 2.178 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](Oc2cnccc2CNC(=O)C(F)F)C1 ZINC001130309325 811430008 /nfs/dbraw/zinc/43/00/08/811430008.db2.gz NTCOKHZBRVATSR-LBPRGKRZSA-N 1 2 345.777 2.169 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](Oc2cnccc2CNC(=O)C(F)F)C1 ZINC001130309325 811430012 /nfs/dbraw/zinc/43/00/12/811430012.db2.gz NTCOKHZBRVATSR-LBPRGKRZSA-N 1 2 345.777 2.169 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[NH2+][C@@H](C)c2nc(CC)no2)cc1 ZINC001130371546 811522085 /nfs/dbraw/zinc/52/20/85/811522085.db2.gz YYBMNTYOVAYJTK-ZDUSSCGKSA-N 1 2 344.415 2.277 20 30 EEEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](CC)CCCCC)CC1 ZINC001131398745 812765509 /nfs/dbraw/zinc/76/55/09/812765509.db2.gz DDYPKNBSXQOORZ-QGZVFWFLSA-N 1 2 337.508 2.429 20 30 EEEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](CC)CCCCC)CC1 ZINC001131398745 812765514 /nfs/dbraw/zinc/76/55/14/812765514.db2.gz DDYPKNBSXQOORZ-QGZVFWFLSA-N 1 2 337.508 2.429 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCc2ccc(C(N)=O)cc2)C1 ZINC001438242803 1090724527 /nfs/dbraw/zinc/72/45/27/1090724527.db2.gz MGGHHUQNZYSYIB-MRXNPFEDSA-N 1 2 349.862 2.003 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCc2ccc(C(N)=O)cc2)C1 ZINC001438242803 1090724529 /nfs/dbraw/zinc/72/45/29/1090724529.db2.gz MGGHHUQNZYSYIB-MRXNPFEDSA-N 1 2 349.862 2.003 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(-n2ccnn2)cc1 ZINC001445849763 1091761490 /nfs/dbraw/zinc/76/14/90/1091761490.db2.gz WAXAQJFGDKMFAG-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(-n2ccnn2)cc1 ZINC001445849763 1091761494 /nfs/dbraw/zinc/76/14/94/1091761494.db2.gz WAXAQJFGDKMFAG-CYBMUJFWSA-N 1 2 333.823 2.070 20 30 EEEDLO C=C(Cl)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C(CC)CC)n1 ZINC001479601402 1098626988 /nfs/dbraw/zinc/62/69/88/1098626988.db2.gz AHYSJJCIXOKTHD-UHFFFAOYSA-N 1 2 326.828 2.077 20 30 EEEDLO C=C(Br)C[NH2+]C1(CNC(=O)C(F)C(F)(F)F)CCC1 ZINC001447202214 1102193938 /nfs/dbraw/zinc/19/39/38/1102193938.db2.gz WUGIVAKGGSFCPS-MRVPVSSYSA-N 1 2 347.150 2.424 20 30 EEEDLO C=C(Br)C[NH2+]C1(CNC(=O)[C@@H](F)C(F)(F)F)CCC1 ZINC001447202214 1102193943 /nfs/dbraw/zinc/19/39/43/1102193943.db2.gz WUGIVAKGGSFCPS-MRVPVSSYSA-N 1 2 347.150 2.424 20 30 EEEDLO CC(F)(F)C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001500167091 1112651253 /nfs/dbraw/zinc/65/12/53/1112651253.db2.gz CXOGIITXFFTTBP-HNNXBMFYSA-N 1 2 325.334 2.433 20 30 EEEDLO CC(F)(F)C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001500167091 1112651255 /nfs/dbraw/zinc/65/12/55/1112651255.db2.gz CXOGIITXFFTTBP-HNNXBMFYSA-N 1 2 325.334 2.433 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)sc1C ZINC001505893547 1114259085 /nfs/dbraw/zinc/25/90/85/1114259085.db2.gz AFKQMBYRAUMYMB-JTQLQIEISA-N 1 2 331.445 2.210 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)sc1C ZINC001505893547 1114259087 /nfs/dbraw/zinc/25/90/87/1114259087.db2.gz AFKQMBYRAUMYMB-JTQLQIEISA-N 1 2 331.445 2.210 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cnc2cc(C)nn2c1C ZINC001505974346 1114312348 /nfs/dbraw/zinc/31/23/48/1114312348.db2.gz MLROXKIQMWDOSC-LBPRGKRZSA-N 1 2 335.839 2.149 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cnc2cc(C)nn2c1C ZINC001505974346 1114312352 /nfs/dbraw/zinc/31/23/52/1114312352.db2.gz MLROXKIQMWDOSC-LBPRGKRZSA-N 1 2 335.839 2.149 20 30 EEEDLO Cn1cc[nH+]c1CCC(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC001519769193 1119104792 /nfs/dbraw/zinc/10/47/92/1119104792.db2.gz LJDREKLJPPUMBS-ZDUSSCGKSA-N 1 2 347.216 2.496 20 30 EEEDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000109157970 529910952 /nfs/dbraw/zinc/91/09/52/529910952.db2.gz MNPXGJJXSCLWFJ-UHFFFAOYSA-N 1 2 330.432 2.284 20 30 EEEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)S1 ZINC000178325034 232136732 /nfs/dbraw/zinc/13/67/32/232136732.db2.gz RPSAEPVWADJPGC-GFCCVEGCSA-N 1 2 329.429 2.199 20 30 EEEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@@]2(C)CCc3ccccc3C2)CC1 ZINC000329638959 539779357 /nfs/dbraw/zinc/77/93/57/539779357.db2.gz WIBHOGVRSFDSII-FQEVSTJZSA-N 1 2 343.471 2.302 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000351928316 238207822 /nfs/dbraw/zinc/20/78/22/238207822.db2.gz SFVWQSPFIJLFDV-GZBFAFLISA-N 1 2 333.457 2.332 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000351928316 238207828 /nfs/dbraw/zinc/20/78/28/238207828.db2.gz SFVWQSPFIJLFDV-GZBFAFLISA-N 1 2 333.457 2.332 20 30 EEEDLO Cc1cc(C)c(NC(=O)N(CCC#N)CCN2CCOCC2)c(C)[nH+]1 ZINC000455502333 244015538 /nfs/dbraw/zinc/01/55/38/244015538.db2.gz VDZKAFWIGFOYQH-UHFFFAOYSA-N 1 2 345.447 2.087 20 30 EEEDLO CC(C)[C@@H]1C[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000459270081 245057302 /nfs/dbraw/zinc/05/73/02/245057302.db2.gz BSQFDNICNAPESN-ZWKOTPCHSA-N 1 2 326.444 2.430 20 30 EEEDLO C=CC[NH+](CC=C)CC1=C(C(=O)OCC)[C@@H](c2ccco2)NC(=O)N1 ZINC000078636147 217091550 /nfs/dbraw/zinc/09/15/50/217091550.db2.gz WUHIXGVIELRAPM-MRXNPFEDSA-N 1 2 345.399 2.125 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H](O)c2ccccc2C)n1 ZINC000491409027 246023632 /nfs/dbraw/zinc/02/36/32/246023632.db2.gz YOPPAFQJQOZGMP-IBGZPJMESA-N 1 2 327.428 2.007 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H](O)c2ccccc2C)n1 ZINC000491409027 246023638 /nfs/dbraw/zinc/02/36/38/246023638.db2.gz YOPPAFQJQOZGMP-IBGZPJMESA-N 1 2 327.428 2.007 20 30 EEEDLO C#CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)C1CC1 ZINC000491643577 246094704 /nfs/dbraw/zinc/09/47/04/246094704.db2.gz GGSHQTKPSOOZSY-QGZVFWFLSA-N 1 2 340.423 2.219 20 30 EEEDLO C#CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)C1CC1 ZINC000491643577 246094710 /nfs/dbraw/zinc/09/47/10/246094710.db2.gz GGSHQTKPSOOZSY-QGZVFWFLSA-N 1 2 340.423 2.219 20 30 EEEDLO CN(C[C@H]1CCC[N@@H+]1Cn1cccc(C#N)c1=O)C(=O)OC(C)(C)C ZINC000495188929 247081891 /nfs/dbraw/zinc/08/18/91/247081891.db2.gz KNQBQSMQSNFRJB-OAHLLOKOSA-N 1 2 346.431 2.009 20 30 EEEDLO CN(C[C@H]1CCC[N@H+]1Cn1cccc(C#N)c1=O)C(=O)OC(C)(C)C ZINC000495188929 247081894 /nfs/dbraw/zinc/08/18/94/247081894.db2.gz KNQBQSMQSNFRJB-OAHLLOKOSA-N 1 2 346.431 2.009 20 30 EEEDLO Cc1nc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc[nH+]1 ZINC000266189122 248159128 /nfs/dbraw/zinc/15/91/28/248159128.db2.gz BRVIDDUKJHAKEB-UHFFFAOYSA-N 1 2 336.355 2.231 20 30 EEEDLO C#CCCOc1ccc(C[N@@H+](C)Cc2nc(CCOC)no2)cc1 ZINC000093587320 218232750 /nfs/dbraw/zinc/23/27/50/218232750.db2.gz HQBDOKASSPEAKO-UHFFFAOYSA-N 1 2 329.400 2.293 20 30 EEEDLO C#CCCOc1ccc(C[N@H+](C)Cc2nc(CCOC)no2)cc1 ZINC000093587320 218232752 /nfs/dbraw/zinc/23/27/52/218232752.db2.gz HQBDOKASSPEAKO-UHFFFAOYSA-N 1 2 329.400 2.293 20 30 EEEDLO N#Cc1ccc(-c2nnc(CSCC[NH+]3CCOCC3)o2)cc1 ZINC000095446234 218389748 /nfs/dbraw/zinc/38/97/48/218389748.db2.gz WLHRJCZBVZFTAJ-UHFFFAOYSA-N 1 2 330.413 2.174 20 30 EEEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)[nH]1 ZINC000268536000 252003941 /nfs/dbraw/zinc/00/39/41/252003941.db2.gz ZVFFUUIDPLTUIP-SWLSCSKDSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)[nH]1 ZINC000268536000 252003943 /nfs/dbraw/zinc/00/39/43/252003943.db2.gz ZVFFUUIDPLTUIP-SWLSCSKDSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000268536000 252003949 /nfs/dbraw/zinc/00/39/49/252003949.db2.gz ZVFFUUIDPLTUIP-SWLSCSKDSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000268536000 252003953 /nfs/dbraw/zinc/00/39/53/252003953.db2.gz ZVFFUUIDPLTUIP-SWLSCSKDSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)n[nH]1 ZINC000268536000 252003957 /nfs/dbraw/zinc/00/39/57/252003957.db2.gz ZVFFUUIDPLTUIP-SWLSCSKDSA-N 1 2 338.415 2.191 20 30 EEEDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)n[nH]1 ZINC000268536000 252003961 /nfs/dbraw/zinc/00/39/61/252003961.db2.gz ZVFFUUIDPLTUIP-SWLSCSKDSA-N 1 2 338.415 2.191 20 30 EEEDLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268712031 252162532 /nfs/dbraw/zinc/16/25/32/252162532.db2.gz UCVBEYSDPHVGNS-GOSISDBHSA-N 1 2 344.436 2.127 20 30 EEEDLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268712031 252162533 /nfs/dbraw/zinc/16/25/33/252162533.db2.gz UCVBEYSDPHVGNS-GOSISDBHSA-N 1 2 344.436 2.127 20 30 EEEDLO C#CCn1ccc(CN(CC)C(=O)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000491451058 533214178 /nfs/dbraw/zinc/21/41/78/533214178.db2.gz DGDKMASGNCLHAU-UHFFFAOYSA-N 1 2 333.395 2.364 20 30 EEEDLO Cc1sc(NC(=O)C[NH+]2CCC(CCC(N)=O)CC2)c(C#N)c1C ZINC000271275459 256228264 /nfs/dbraw/zinc/22/82/64/256228264.db2.gz YLMFYMIKOCKVSQ-UHFFFAOYSA-N 1 2 348.472 2.153 20 30 EEEDLO N#Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000274280557 256370269 /nfs/dbraw/zinc/37/02/69/256370269.db2.gz BHTXYQKOYMXTPK-UHFFFAOYSA-N 1 2 339.355 2.310 20 30 EEEDLO COCc1noc([C@@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000181548837 533297938 /nfs/dbraw/zinc/29/79/38/533297938.db2.gz DDFFJLAHYAJNOG-CQSZACIVSA-N 1 2 341.415 2.361 20 30 EEEDLO COCc1noc([C@@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000181548837 533297949 /nfs/dbraw/zinc/29/79/49/533297949.db2.gz DDFFJLAHYAJNOG-CQSZACIVSA-N 1 2 341.415 2.361 20 30 EEEDLO COC(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000191828649 533439846 /nfs/dbraw/zinc/43/98/46/533439846.db2.gz XCUVWUXOJCDWOW-QKCSRTOESA-N 1 2 347.415 2.226 20 30 EEEDLO COC(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000191828649 533439852 /nfs/dbraw/zinc/43/98/52/533439852.db2.gz XCUVWUXOJCDWOW-QKCSRTOESA-N 1 2 347.415 2.226 20 30 EEEDLO COc1ccc(C[N@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)c(OC)c1 ZINC000115531449 152028239 /nfs/dbraw/zinc/02/82/39/152028239.db2.gz KHCCFVQGRGNTCI-SFHVURJKSA-N 1 2 339.395 2.234 20 30 EEEDLO COc1ccc(C[N@@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)c(OC)c1 ZINC000115531449 152028244 /nfs/dbraw/zinc/02/82/44/152028244.db2.gz KHCCFVQGRGNTCI-SFHVURJKSA-N 1 2 339.395 2.234 20 30 EEEDLO COc1ccc(CN2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)cc1F ZINC000191186990 152241240 /nfs/dbraw/zinc/24/12/40/152241240.db2.gz DCNJZTMBPVPCHG-UHFFFAOYSA-N 1 2 342.418 2.362 20 30 EEEDLO COc1ccc(C[NH+]2CCN(Cc3cc(C#N)n(C)c3)CC2)cc1F ZINC000191186990 152241241 /nfs/dbraw/zinc/24/12/41/152241241.db2.gz DCNJZTMBPVPCHG-UHFFFAOYSA-N 1 2 342.418 2.362 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000121434791 292264292 /nfs/dbraw/zinc/26/42/92/292264292.db2.gz FCLKBSLXTHIZJX-CYBMUJFWSA-N 1 2 334.376 2.336 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000352304410 153047297 /nfs/dbraw/zinc/04/72/97/153047297.db2.gz YPQZTPMKCZDPOR-OAHLLOKOSA-N 1 2 330.413 2.030 20 30 EEEDLO COc1cc[nH+]c(CN2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000106860501 159324085 /nfs/dbraw/zinc/32/40/85/159324085.db2.gz MLROIQNCWOXSHN-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO N#Cc1ccccc1CSCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000178730749 159910073 /nfs/dbraw/zinc/91/00/73/159910073.db2.gz OKVYOILTKVWUFT-AWEZNQCLSA-N 1 2 340.452 2.367 20 30 EEEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C(N)=O)cc1 ZINC000342442057 161065829 /nfs/dbraw/zinc/06/58/29/161065829.db2.gz UJRQTQUSUSKAIY-OAHLLOKOSA-N 1 2 344.758 2.436 20 30 EEEDLO N#Cc1ccc(OCC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000343343072 161126734 /nfs/dbraw/zinc/12/67/34/161126734.db2.gz MUIINEGHFGLTLA-UHFFFAOYSA-N 1 2 333.351 2.216 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(Br)c1 ZINC000368974477 166162629 /nfs/dbraw/zinc/16/26/29/166162629.db2.gz PMDNOZWAVNZZTN-WHOFXGATSA-N 1 2 348.244 2.407 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(Br)c1 ZINC000368974477 166162631 /nfs/dbraw/zinc/16/26/31/166162631.db2.gz PMDNOZWAVNZZTN-WHOFXGATSA-N 1 2 348.244 2.407 20 30 EEEDLO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000295601161 266255250 /nfs/dbraw/zinc/25/52/50/266255250.db2.gz NDKOASYSGSYXMB-BSEYFRJRSA-N 1 2 348.468 2.395 20 30 EEEDLO CCc1nn(C)c(Cl)c1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000271367171 266453141 /nfs/dbraw/zinc/45/31/41/266453141.db2.gz YXPRCAKSTWYHLO-UHFFFAOYSA-N 1 2 344.850 2.225 20 30 EEEDLO Cc1nsc(N2CCN(c3cc(NC4CC4)[nH+]cn3)CC2)c1C#N ZINC000413311713 268102077 /nfs/dbraw/zinc/10/20/77/268102077.db2.gz PCOXSINCBLARMQ-UHFFFAOYSA-N 1 2 341.444 2.014 20 30 EEEDLO Cc1nsc(N2CCN(c3cc(NC4CC4)nc[nH+]3)CC2)c1C#N ZINC000413311713 268102080 /nfs/dbraw/zinc/10/20/80/268102080.db2.gz PCOXSINCBLARMQ-UHFFFAOYSA-N 1 2 341.444 2.014 20 30 EEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3ccnn3)C2)c(C#N)c1C ZINC000425501452 268104572 /nfs/dbraw/zinc/10/45/72/268104572.db2.gz OEPDOORJZBJDKH-GXTWGEPZSA-N 1 2 342.403 2.024 20 30 EEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3ccnn3)C2)c(C#N)c1C ZINC000425501452 268104574 /nfs/dbraw/zinc/10/45/74/268104574.db2.gz OEPDOORJZBJDKH-GXTWGEPZSA-N 1 2 342.403 2.024 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1F ZINC000292597512 268191558 /nfs/dbraw/zinc/19/15/58/268191558.db2.gz MWLQYTRMBAWKKF-AWEZNQCLSA-N 1 2 334.376 2.336 20 30 EEEDLO COc1cncc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)c1 ZINC000289551407 275126789 /nfs/dbraw/zinc/12/67/89/275126789.db2.gz UKBGQCLFABBUCA-UHFFFAOYSA-N 1 2 329.429 2.049 20 30 EEEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000374502943 303196170 /nfs/dbraw/zinc/19/61/70/303196170.db2.gz HPUKVWFQNOVNBY-OAHLLOKOSA-N 1 2 342.370 2.332 20 30 EEEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000374502943 303196173 /nfs/dbraw/zinc/19/61/73/303196173.db2.gz HPUKVWFQNOVNBY-OAHLLOKOSA-N 1 2 342.370 2.332 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1nc2n(c1C#N)CCS2 ZINC000172338186 311417997 /nfs/dbraw/zinc/41/79/97/311417997.db2.gz ZGQWEPCTFZRCQL-UHFFFAOYSA-N 1 2 338.396 2.157 20 30 EEEDLO Cc1cc(C#N)cnc1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000558888601 318733903 /nfs/dbraw/zinc/73/39/03/318733903.db2.gz CFBGVSCFPIAMCD-UHFFFAOYSA-N 1 2 326.425 2.281 20 30 EEEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cccc(F)c1C#N ZINC000188722890 464353038 /nfs/dbraw/zinc/35/30/38/464353038.db2.gz KOWDDRSDCMBNJP-UHFFFAOYSA-N 1 2 340.358 2.490 20 30 EEEDLO O=C(NC[C@H]1CCCC(F)(F)C1)NCC1([NH+]2CCOCC2)CC1 ZINC000328632873 465081784 /nfs/dbraw/zinc/08/17/84/465081784.db2.gz APMZAFDYQGKQKS-ZDUSSCGKSA-N 1 2 331.407 2.180 20 30 EEEDLO O=C(NCC1CCC(F)(F)CC1)NCC1([NH+]2CCOCC2)CC1 ZINC000328647149 465087472 /nfs/dbraw/zinc/08/74/72/465087472.db2.gz HSSIGTOOZNSHIH-UHFFFAOYSA-N 1 2 331.407 2.180 20 30 EEEDLO CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000354681031 465092709 /nfs/dbraw/zinc/09/27/09/465092709.db2.gz YLUOMARSWNUTLK-CQSZACIVSA-N 1 2 348.834 2.141 20 30 EEEDLO CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000354681031 465092716 /nfs/dbraw/zinc/09/27/16/465092716.db2.gz YLUOMARSWNUTLK-CQSZACIVSA-N 1 2 348.834 2.141 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H]([C@H]3CCOC3)C1)CCC2 ZINC000328689042 465099875 /nfs/dbraw/zinc/09/98/75/465099875.db2.gz CVPIQJOSCFNMMM-JYJNAYRXSA-N 1 2 332.448 2.341 20 30 EEEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328733397 465114093 /nfs/dbraw/zinc/11/40/93/465114093.db2.gz HSUSXCAWXXEZKW-QWHCGFSZSA-N 1 2 331.420 2.306 20 30 EEEDLO C=CCN1CC[C@H](N(C)C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1=O ZINC000337076210 465180197 /nfs/dbraw/zinc/18/01/97/465180197.db2.gz QRPXQRJBIQLKCJ-JKSUJKDBSA-N 1 2 349.862 2.188 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000341983140 465281376 /nfs/dbraw/zinc/28/13/76/465281376.db2.gz BQRIMQAENUMGNW-UHFFFAOYSA-N 1 2 346.818 2.402 20 30 EEEDLO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000298077491 465294602 /nfs/dbraw/zinc/29/46/02/465294602.db2.gz BOLBCUUEXFNECU-XYJFISCASA-N 1 2 328.460 2.172 20 30 EEEDLO N#CC1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000060991566 462572400 /nfs/dbraw/zinc/57/24/00/462572400.db2.gz KMNRAJQBLXIEAC-UHFFFAOYSA-N 1 2 327.363 2.457 20 30 EEEDLO COc1ccccc1[C@@H](NC(=O)N(C)C[C@H](C)C#N)c1[nH+]ccn1C ZINC000045307225 462575856 /nfs/dbraw/zinc/57/58/56/462575856.db2.gz XWCYZRTZQPVHAG-CZUORRHYSA-N 1 2 341.415 2.319 20 30 EEEDLO C=C(C)COCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000152761664 462577947 /nfs/dbraw/zinc/57/79/47/462577947.db2.gz PSZVKEMNQFXGNO-QGZVFWFLSA-N 1 2 334.485 2.485 20 30 EEEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3nc(C)no3)c2)n1 ZINC000074285560 462578622 /nfs/dbraw/zinc/57/86/22/462578622.db2.gz JLDWVIIATPOOEB-UHFFFAOYSA-N 1 2 340.387 2.077 20 30 EEEDLO C=CCc1ccc(OCC(=O)N(C)Cc2[nH+]ccn2C)c(OC)c1 ZINC000061512601 462586802 /nfs/dbraw/zinc/58/68/02/462586802.db2.gz WOKDURVMWVGMTC-UHFFFAOYSA-N 1 2 329.400 2.195 20 30 EEEDLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+](CC)C[C@H](C)C#N ZINC000064248791 462691365 /nfs/dbraw/zinc/69/13/65/462691365.db2.gz TTZNJQDGGZCGIG-HZPDHXFCSA-N 1 2 345.443 2.156 20 30 EEEDLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+](CC)C[C@H](C)C#N ZINC000064248791 462691371 /nfs/dbraw/zinc/69/13/71/462691371.db2.gz TTZNJQDGGZCGIG-HZPDHXFCSA-N 1 2 345.443 2.156 20 30 EEEDLO C=CC[N@H+](Cc1ccccc1F)C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000065511619 462784505 /nfs/dbraw/zinc/78/45/05/462784505.db2.gz MEIDZOMZHRPTQU-BQFCYCMXSA-N 1 2 336.451 2.284 20 30 EEEDLO C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000065511619 462784510 /nfs/dbraw/zinc/78/45/10/462784510.db2.gz MEIDZOMZHRPTQU-BQFCYCMXSA-N 1 2 336.451 2.284 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000076227036 462826333 /nfs/dbraw/zinc/82/63/33/462826333.db2.gz HVTQXYDICDXIBH-INIZCTEOSA-N 1 2 332.444 2.321 20 30 EEEDLO Cn1cc([C@H]2C[N@H+](CC(=O)Nc3sccc3C#N)CC2(C)C)cn1 ZINC000568350552 468320794 /nfs/dbraw/zinc/32/07/94/468320794.db2.gz PGAKASSNTQVDOX-CQSZACIVSA-N 1 2 343.456 2.417 20 30 EEEDLO Cn1cc([C@H]2C[N@@H+](CC(=O)Nc3sccc3C#N)CC2(C)C)cn1 ZINC000568350552 468320799 /nfs/dbraw/zinc/32/07/99/468320799.db2.gz PGAKASSNTQVDOX-CQSZACIVSA-N 1 2 343.456 2.417 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000066307747 462872223 /nfs/dbraw/zinc/87/22/23/462872223.db2.gz YGXLAIUEPHTCIZ-MRXNPFEDSA-N 1 2 332.444 2.116 20 30 EEEDLO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000133236965 462910201 /nfs/dbraw/zinc/91/02/01/462910201.db2.gz DMTKZWRXIDNIRY-IRXDYDNUSA-N 1 2 335.473 2.088 20 30 EEEDLO CCS(=O)(=O)NCCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000133236965 462910206 /nfs/dbraw/zinc/91/02/06/462910206.db2.gz DMTKZWRXIDNIRY-IRXDYDNUSA-N 1 2 335.473 2.088 20 30 EEEDLO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000119620066 462917483 /nfs/dbraw/zinc/91/74/83/462917483.db2.gz AINJUYXYGPYQIN-SJLPKXTDSA-N 1 2 328.460 2.126 20 30 EEEDLO C=CCNC(=O)c1ccc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)nc1 ZINC000134170542 463011975 /nfs/dbraw/zinc/01/19/75/463011975.db2.gz SVYFXDWQLJGMQH-ZBFHGGJFSA-N 1 2 325.416 2.281 20 30 EEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)C[C@H]21 ZINC000134613246 463062617 /nfs/dbraw/zinc/06/26/17/463062617.db2.gz DCCIWBWJXAEIGQ-HZPDHXFCSA-N 1 2 328.416 2.034 20 30 EEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)C[C@H]21 ZINC000134613246 463062621 /nfs/dbraw/zinc/06/26/21/463062621.db2.gz DCCIWBWJXAEIGQ-HZPDHXFCSA-N 1 2 328.416 2.034 20 30 EEEDLO N#Cc1c(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cn2ccccc12 ZINC000078517348 463125070 /nfs/dbraw/zinc/12/50/70/463125070.db2.gz ZDOIHZIIWQYNKJ-UHFFFAOYSA-N 1 2 342.406 2.400 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2nc(C)c(C)s2)CC1 ZINC000157502145 463138212 /nfs/dbraw/zinc/13/82/12/463138212.db2.gz OFZFSSZLRZSWBM-UHFFFAOYSA-N 1 2 334.489 2.083 20 30 EEEDLO Cc1nc(CN2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)no1 ZINC000121452516 463138874 /nfs/dbraw/zinc/13/88/74/463138874.db2.gz NKRJQNWNVCSXEF-UHFFFAOYSA-N 1 2 330.819 2.201 20 30 EEEDLO N#CCC[N@@H+](CCCOc1ccc(F)cc1)CCN1CCOCC1 ZINC000078687566 463140385 /nfs/dbraw/zinc/14/03/85/463140385.db2.gz SVTGWSVSVBRRGQ-UHFFFAOYSA-N 1 2 335.423 2.142 20 30 EEEDLO N#CCC[N@H+](CCCOc1ccc(F)cc1)CCN1CCOCC1 ZINC000078687566 463140389 /nfs/dbraw/zinc/14/03/89/463140389.db2.gz SVTGWSVSVBRRGQ-UHFFFAOYSA-N 1 2 335.423 2.142 20 30 EEEDLO N#CCCN(CCCOc1ccc(F)cc1)CC[NH+]1CCOCC1 ZINC000078687566 463140392 /nfs/dbraw/zinc/14/03/92/463140392.db2.gz SVTGWSVSVBRRGQ-UHFFFAOYSA-N 1 2 335.423 2.142 20 30 EEEDLO N#CCCN(CCOc1ccc(Cl)cc1)CC[NH+]1CCOCC1 ZINC000078686860 463140744 /nfs/dbraw/zinc/14/07/44/463140744.db2.gz DOXMKUZWBBRTCM-UHFFFAOYSA-N 1 2 337.851 2.267 20 30 EEEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000079015267 463179671 /nfs/dbraw/zinc/17/96/71/463179671.db2.gz KVYKVVIIJPZREK-IUODEOHRSA-N 1 2 329.379 2.450 20 30 EEEDLO C[C@@H](NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000158164375 463211245 /nfs/dbraw/zinc/21/12/45/463211245.db2.gz DHOBCNYPDVJXAC-CYBMUJFWSA-N 1 2 339.395 2.136 20 30 EEEDLO N#Cc1ccc(NC[C@]2([NH+]3CCOCC3)CCSC2)c([N+](=O)[O-])c1 ZINC000029625958 463265286 /nfs/dbraw/zinc/26/52/86/463265286.db2.gz XHRCTSDKCCXOFL-MRXNPFEDSA-N 1 2 348.428 2.086 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCc2nc(C(C)(C)C)no2)cc1OC ZINC000123333184 463334395 /nfs/dbraw/zinc/33/43/95/463334395.db2.gz YHFAFXGWZHFCBN-UHFFFAOYSA-N 1 2 334.376 2.221 20 30 EEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000080907364 463365158 /nfs/dbraw/zinc/36/51/58/463365158.db2.gz KVBTYRJPHLHMCX-LJQANCHMSA-N 1 2 334.423 2.168 20 30 EEEDLO C=CC[N@@H+](CC(=O)N1CCC(C(=O)OC)CC1)Cc1ccccc1F ZINC000056312463 463391353 /nfs/dbraw/zinc/39/13/53/463391353.db2.gz GKWNGVBIGIOJFE-UHFFFAOYSA-N 1 2 348.418 2.225 20 30 EEEDLO C=CC[N@H+](CC(=O)N1CCC(C(=O)OC)CC1)Cc1ccccc1F ZINC000056312463 463391356 /nfs/dbraw/zinc/39/13/56/463391356.db2.gz GKWNGVBIGIOJFE-UHFFFAOYSA-N 1 2 348.418 2.225 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000032830904 463398015 /nfs/dbraw/zinc/39/80/15/463398015.db2.gz GVPCZXAEPXWXTN-HNAYVOBHSA-N 1 2 346.450 2.391 20 30 EEEDLO CN(C)C(=O)Cc1nc(C[N@H+](C)Cc2cccc(C#N)c2)cs1 ZINC000104944618 463431045 /nfs/dbraw/zinc/43/10/45/463431045.db2.gz ZVEMIWAAZIZQPE-UHFFFAOYSA-N 1 2 328.441 2.277 20 30 EEEDLO CN(C)C(=O)Cc1nc(C[N@@H+](C)Cc2cccc(C#N)c2)cs1 ZINC000104944618 463431050 /nfs/dbraw/zinc/43/10/50/463431050.db2.gz ZVEMIWAAZIZQPE-UHFFFAOYSA-N 1 2 328.441 2.277 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151149175 463483934 /nfs/dbraw/zinc/48/39/34/463483934.db2.gz OTWVBTSSMSHMRN-MRXNPFEDSA-N 1 2 343.408 2.104 20 30 EEEDLO COCC[N@H+](CCC#N)Cc1ccc(OCc2nccn2C)cc1 ZINC000072689389 463533620 /nfs/dbraw/zinc/53/36/20/463533620.db2.gz LEMUBNBFVZZUND-UHFFFAOYSA-N 1 2 328.416 2.361 20 30 EEEDLO COCC[N@@H+](CCC#N)Cc1ccc(OCc2nccn2C)cc1 ZINC000072689389 463533627 /nfs/dbraw/zinc/53/36/27/463533627.db2.gz LEMUBNBFVZZUND-UHFFFAOYSA-N 1 2 328.416 2.361 20 30 EEEDLO N#Cc1ccccc1OCC[NH+]1CCN(Cc2cscn2)CC1 ZINC000058215118 463554860 /nfs/dbraw/zinc/55/48/60/463554860.db2.gz WIGGGLVJAAYDPD-UHFFFAOYSA-N 1 2 328.441 2.211 20 30 EEEDLO C#CCCN1CC[NH+](CCOc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC000127289703 463694034 /nfs/dbraw/zinc/69/40/34/463694034.db2.gz LLERUFKLBSVMOJ-UHFFFAOYSA-N 1 2 340.423 2.121 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2ccc(F)c(C#N)c2)CCO1 ZINC000286820559 463714049 /nfs/dbraw/zinc/71/40/49/463714049.db2.gz QLIJXNOSTXCELR-BBRMVZONSA-N 1 2 328.347 2.081 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000177637980 463753188 /nfs/dbraw/zinc/75/31/88/463753188.db2.gz XEBNECVCMOHVRM-UHFFFAOYSA-N 1 2 335.398 2.287 20 30 EEEDLO Cc1cc(NC(=O)C(=O)NC[C@H](C)C#N)ccc1Oc1cc[nH+]cc1 ZINC000194874773 463948345 /nfs/dbraw/zinc/94/83/45/463948345.db2.gz AQWMZLWISKBQBN-GFCCVEGCSA-N 1 2 338.367 2.397 20 30 EEEDLO Cn1c[nH+]cc1CCC(=O)NCCSCc1ccccc1C#N ZINC000195046421 463981876 /nfs/dbraw/zinc/98/18/76/463981876.db2.gz LLDDWJDDTOXJLF-UHFFFAOYSA-N 1 2 328.441 2.274 20 30 EEEDLO COCC1(O)CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000287873852 464022953 /nfs/dbraw/zinc/02/29/53/464022953.db2.gz SMDPGULKDMYAPU-UHFFFAOYSA-N 1 2 339.233 2.294 20 30 EEEDLO CCc1cc(N)nc(SCC(=O)N(CC#N)c2ccccc2)[nH+]1 ZINC000279113004 464038728 /nfs/dbraw/zinc/03/87/28/464038728.db2.gz RUWCSJOUYLFZBD-UHFFFAOYSA-N 1 2 327.413 2.270 20 30 EEEDLO CC[C@H](NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000283920326 464042647 /nfs/dbraw/zinc/04/26/47/464042647.db2.gz DTHVLAZMMKNSNV-KBPBESRZSA-N 1 2 339.823 2.375 20 30 EEEDLO COC(=O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000179129787 464063735 /nfs/dbraw/zinc/06/37/35/464063735.db2.gz CKLMQGPNJVJTJC-CYBMUJFWSA-N 1 2 335.791 2.178 20 30 EEEDLO COC(=O)C[C@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000179129787 464063739 /nfs/dbraw/zinc/06/37/39/464063739.db2.gz CKLMQGPNJVJTJC-CYBMUJFWSA-N 1 2 335.791 2.178 20 30 EEEDLO Cc1nsc(N2CC[NH+](C[C@H](O)c3ccccc3F)CC2)c1C#N ZINC000289378675 464075865 /nfs/dbraw/zinc/07/58/65/464075865.db2.gz CBZQIPYKHOEQNW-INIZCTEOSA-N 1 2 346.431 2.318 20 30 EEEDLO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCC(CC#N)CC1 ZINC000542882776 468390124 /nfs/dbraw/zinc/39/01/24/468390124.db2.gz GOIKIBKBSGXRCH-CYBMUJFWSA-N 1 2 337.431 2.306 20 30 EEEDLO Cc1cccc2c1C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)CC2 ZINC000289546377 464083258 /nfs/dbraw/zinc/08/32/58/464083258.db2.gz WYLRVFORDSWGDN-UHFFFAOYSA-N 1 2 341.436 2.094 20 30 EEEDLO Cc1cccc2c1C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)CC2 ZINC000289546377 464083264 /nfs/dbraw/zinc/08/32/64/464083264.db2.gz WYLRVFORDSWGDN-UHFFFAOYSA-N 1 2 341.436 2.094 20 30 EEEDLO C[C@@H](NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1)c1ccc2c(c1)CCCC2 ZINC000284089343 464087441 /nfs/dbraw/zinc/08/74/41/464087441.db2.gz KVHUCZARXXPGLF-DYVFJYSZSA-N 1 2 345.443 2.210 20 30 EEEDLO CS[C@@H](C)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000269788412 464095233 /nfs/dbraw/zinc/09/52/33/464095233.db2.gz FAQYNWKASXFIHW-AWEZNQCLSA-N 1 2 332.473 2.137 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(OC)c3c(c2)OCCO3)n1 ZINC000279499191 464113758 /nfs/dbraw/zinc/11/37/58/464113758.db2.gz ZBEHBOKHTCERIV-UHFFFAOYSA-N 1 2 341.411 2.318 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(OC)c3c(c2)OCCO3)n1 ZINC000279499191 464113761 /nfs/dbraw/zinc/11/37/61/464113761.db2.gz ZBEHBOKHTCERIV-UHFFFAOYSA-N 1 2 341.411 2.318 20 30 EEEDLO COc1ccc(C[N@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)cn1 ZINC000591019670 468393937 /nfs/dbraw/zinc/39/39/37/468393937.db2.gz RTPRIQAZXITITP-CQSZACIVSA-N 1 2 342.424 2.261 20 30 EEEDLO COc1ccc(C[N@@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)cn1 ZINC000591019670 468393944 /nfs/dbraw/zinc/39/39/44/468393944.db2.gz RTPRIQAZXITITP-CQSZACIVSA-N 1 2 342.424 2.261 20 30 EEEDLO COc1cc(/C=C\C(=O)NCCCn2cc[nH+]c2)ccc1OCC#N ZINC000229994796 464200776 /nfs/dbraw/zinc/20/07/76/464200776.db2.gz JDXAEHRRVHANHW-XQRVVYSFSA-N 1 2 340.383 2.014 20 30 EEEDLO Cc1cccn2c(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)cnc12 ZINC000179987624 464218967 /nfs/dbraw/zinc/21/89/67/464218967.db2.gz BQPOLXXILIRKRN-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO Cc1cccn2c(CN3CCN(c4ccc(C#N)cn4)CC3)c[nH+]c12 ZINC000179987624 464218973 /nfs/dbraw/zinc/21/89/73/464218973.db2.gz BQPOLXXILIRKRN-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO COc1cc(C)nc(CO[NH+]=C(N)c2ccc(OC)c(OC)c2)c1 ZINC000271188450 464287315 /nfs/dbraw/zinc/28/73/15/464287315.db2.gz FFXRGRZBILMXAS-UHFFFAOYSA-N 1 2 331.372 2.253 20 30 EEEDLO C#C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F)C(C)C ZINC000280988686 464289618 /nfs/dbraw/zinc/28/96/18/464289618.db2.gz IXRZOQXCFLBMSB-QWHCGFSZSA-N 1 2 327.197 2.362 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2)C1=O ZINC000281219656 464376187 /nfs/dbraw/zinc/37/61/87/464376187.db2.gz DRKAODPOCDYRBX-CZUORRHYSA-N 1 2 349.862 2.236 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2)C1=O ZINC000281219656 464376190 /nfs/dbraw/zinc/37/61/90/464376190.db2.gz DRKAODPOCDYRBX-CZUORRHYSA-N 1 2 349.862 2.236 20 30 EEEDLO CC1(C#N)CN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000284925481 464393807 /nfs/dbraw/zinc/39/38/07/464393807.db2.gz UELFOPYWORESBZ-UHFFFAOYSA-N 1 2 325.372 2.339 20 30 EEEDLO C=CCN1CC[C@@H](N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)C1=O ZINC000281337470 464418400 /nfs/dbraw/zinc/41/84/00/464418400.db2.gz MHZCTIRKRQWRMM-GOSISDBHSA-N 1 2 340.402 2.156 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)c(F)c1 ZINC000265499424 464582474 /nfs/dbraw/zinc/58/24/74/464582474.db2.gz XJAPWQILDCJZNN-UHFFFAOYSA-N 1 2 338.386 2.118 20 30 EEEDLO CC(C)(C)[C@](C)(C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000272459356 464620427 /nfs/dbraw/zinc/62/04/27/464620427.db2.gz YABLFFJPXSKBRE-LPHOPBHVSA-N 1 2 329.444 2.332 20 30 EEEDLO CC(C)(C)[C@](C)(C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000272459356 464620432 /nfs/dbraw/zinc/62/04/32/464620432.db2.gz YABLFFJPXSKBRE-LPHOPBHVSA-N 1 2 329.444 2.332 20 30 EEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2CCCOCC2)CC1=O ZINC000182702145 464711428 /nfs/dbraw/zinc/71/14/28/464711428.db2.gz WRNBNNJCYBYHDP-ZDUSSCGKSA-N 1 2 340.427 2.215 20 30 EEEDLO C[C@H](C#N)CNC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000182765053 464724186 /nfs/dbraw/zinc/72/41/86/464724186.db2.gz FTOMINAAYPJONO-SJORKVTESA-N 1 2 344.459 2.079 20 30 EEEDLO C[C@@H](C#N)CNC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000182765071 464724268 /nfs/dbraw/zinc/72/42/68/464724268.db2.gz FTOMINAAYPJONO-IRXDYDNUSA-N 1 2 344.459 2.079 20 30 EEEDLO C[C@@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000248182966 464736861 /nfs/dbraw/zinc/73/68/61/464736861.db2.gz ZVDRJLLCNLRTGG-KRWDZBQOSA-N 1 2 329.444 2.255 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(Br)s2)C1=O ZINC000295366393 464804753 /nfs/dbraw/zinc/80/47/53/464804753.db2.gz OYLDYVLJCGVZGI-JTQLQIEISA-N 1 2 330.251 2.124 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(Br)s2)C1=O ZINC000295366393 464804757 /nfs/dbraw/zinc/80/47/57/464804757.db2.gz OYLDYVLJCGVZGI-JTQLQIEISA-N 1 2 330.251 2.124 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000492438756 468425850 /nfs/dbraw/zinc/42/58/50/468425850.db2.gz UIODQJWWFMCMRF-CQSZACIVSA-N 1 2 345.443 2.451 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000492438756 468425856 /nfs/dbraw/zinc/42/58/56/468425856.db2.gz UIODQJWWFMCMRF-CQSZACIVSA-N 1 2 345.443 2.451 20 30 EEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccccc1I ZINC000266921524 464872084 /nfs/dbraw/zinc/87/20/84/464872084.db2.gz MEDRDSKNOMHRID-UHFFFAOYSA-N 1 2 342.180 2.185 20 30 EEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccccc1I ZINC000266921524 464872091 /nfs/dbraw/zinc/87/20/91/464872091.db2.gz MEDRDSKNOMHRID-UHFFFAOYSA-N 1 2 342.180 2.185 20 30 EEEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(=Cc2cccc(OC)c2)CC1 ZINC000351772302 465351907 /nfs/dbraw/zinc/35/19/07/465351907.db2.gz HUBHYXGNQVXIQM-UHFFFAOYSA-N 1 2 343.427 2.186 20 30 EEEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)C3CC(O)C3)n2)C1 ZINC000329791126 465435863 /nfs/dbraw/zinc/43/58/63/465435863.db2.gz UJICIVOLCUJCTI-XGNXJENSSA-N 1 2 338.477 2.376 20 30 EEEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)C3CC(O)C3)n2)C1 ZINC000329791126 465435871 /nfs/dbraw/zinc/43/58/71/465435871.db2.gz UJICIVOLCUJCTI-XGNXJENSSA-N 1 2 338.477 2.376 20 30 EEEDLO CC1(CNC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)COC1 ZINC000329922680 465475709 /nfs/dbraw/zinc/47/57/09/465475709.db2.gz GNYQPSRBYJRCAB-STQMWFEESA-N 1 2 341.452 2.201 20 30 EEEDLO CC1(CNC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)COC1 ZINC000329922680 465475711 /nfs/dbraw/zinc/47/57/11/465475711.db2.gz GNYQPSRBYJRCAB-STQMWFEESA-N 1 2 341.452 2.201 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000352325966 465517375 /nfs/dbraw/zinc/51/73/75/465517375.db2.gz ZHLQWTMEGNXDAQ-HOTGVXAUSA-N 1 2 346.475 2.062 20 30 EEEDLO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352464141 465532353 /nfs/dbraw/zinc/53/23/53/465532353.db2.gz PKELASHEKKYUDS-HUUCEWRRSA-N 1 2 325.428 2.026 20 30 EEEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000348317564 465547809 /nfs/dbraw/zinc/54/78/09/465547809.db2.gz KKYIWLWPMXCYRQ-IAGOWNOFSA-N 1 2 346.862 2.191 20 30 EEEDLO [O-]C(N[C@H]1CCOc2ccc(F)cc21)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330183147 465561260 /nfs/dbraw/zinc/56/12/60/465561260.db2.gz HSHSVHXDIVQRHR-OCCSQVGLSA-N 1 2 330.363 2.364 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)NC(=O)NC(C)(C)C)Cc1cnn(C(C)C)c1 ZINC000352952138 465574323 /nfs/dbraw/zinc/57/43/23/465574323.db2.gz OXXWYLMRHOUYER-UHFFFAOYSA-N 1 2 349.479 2.466 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)Cc1cnn(C(C)C)c1 ZINC000352952138 465574329 /nfs/dbraw/zinc/57/43/29/465574329.db2.gz OXXWYLMRHOUYER-UHFFFAOYSA-N 1 2 349.479 2.466 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000344088181 465583583 /nfs/dbraw/zinc/58/35/83/465583583.db2.gz JWWNVMLZSKCAOQ-HXUWFJFHSA-N 1 2 349.519 2.429 20 30 EEEDLO CCN1CCN(C(=O)Nc2sc(C)nc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000330352324 465626463 /nfs/dbraw/zinc/62/64/63/465626463.db2.gz NFRAESLFJUBXMS-LBPRGKRZSA-N 1 2 334.449 2.407 20 30 EEEDLO CC(C)c1[nH+]c2c(n1C)CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000330668895 465753802 /nfs/dbraw/zinc/75/38/02/465753802.db2.gz ZMBKIYUNCFUWBK-IFXJQAMLSA-N 1 2 345.491 2.345 20 30 EEEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000362578744 465845645 /nfs/dbraw/zinc/84/56/45/465845645.db2.gz GCFOBOHUGOAHLX-OAHLLOKOSA-N 1 2 344.459 2.168 20 30 EEEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000362578744 465845651 /nfs/dbraw/zinc/84/56/51/465845651.db2.gz GCFOBOHUGOAHLX-OAHLLOKOSA-N 1 2 344.459 2.168 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccc(Br)o1 ZINC000345804428 465905262 /nfs/dbraw/zinc/90/52/62/465905262.db2.gz ZTERKWWOXSUXHL-SNVBAGLBSA-N 1 2 340.221 2.425 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccc(Br)o1 ZINC000345804428 465905267 /nfs/dbraw/zinc/90/52/67/465905267.db2.gz ZTERKWWOXSUXHL-SNVBAGLBSA-N 1 2 340.221 2.425 20 30 EEEDLO CCN1CCN(C(=O)N[C@H](C)CC(C)(C)OC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000331049131 465911823 /nfs/dbraw/zinc/91/18/23/465911823.db2.gz WTCOQEMTTSSRFS-ZIAGYGMSSA-N 1 2 337.468 2.206 20 30 EEEDLO CC[C@@H]1CCC[C@H](NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000331227297 465989106 /nfs/dbraw/zinc/98/91/06/465989106.db2.gz FTRNZGLJNYUZGE-QLFBSQMISA-N 1 2 340.468 2.037 20 30 EEEDLO CC[C@@H]1CCC[C@H](NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000331227297 465989111 /nfs/dbraw/zinc/98/91/11/465989111.db2.gz FTRNZGLJNYUZGE-QLFBSQMISA-N 1 2 340.468 2.037 20 30 EEEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2nccnc2C#N)c2ccc(Cl)cc2)C1 ZINC000301905027 466057342 /nfs/dbraw/zinc/05/73/42/466057342.db2.gz YKNYOHBYBSTOJC-JKSUJKDBSA-N 1 2 343.818 2.485 20 30 EEEDLO C[N@H+]1CCO[C@H]([C@H](Nc2nccnc2C#N)c2ccc(Cl)cc2)C1 ZINC000301905027 466057347 /nfs/dbraw/zinc/05/73/47/466057347.db2.gz YKNYOHBYBSTOJC-JKSUJKDBSA-N 1 2 343.818 2.485 20 30 EEEDLO CC(C)c1nc(N(C)C)nc(NCCOc2ccc(C#N)cc2)[nH+]1 ZINC000301963053 466070375 /nfs/dbraw/zinc/07/03/75/466070375.db2.gz IWPSUQAARIVOOU-UHFFFAOYSA-N 1 2 326.404 2.424 20 30 EEEDLO CC(C)c1nc(NCCOc2ccc(C#N)cc2)nc(N(C)C)[nH+]1 ZINC000301963053 466070386 /nfs/dbraw/zinc/07/03/86/466070386.db2.gz IWPSUQAARIVOOU-UHFFFAOYSA-N 1 2 326.404 2.424 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@H+](CCC(=O)N3CCCCC3)CCO2)c1 ZINC000331473773 466101828 /nfs/dbraw/zinc/10/18/28/466101828.db2.gz FQHJCKYQXYNJNR-GOSISDBHSA-N 1 2 327.428 2.334 20 30 EEEDLO N#Cc1cccc([C@H]2C[N@@H+](CCC(=O)N3CCCCC3)CCO2)c1 ZINC000331473773 466101836 /nfs/dbraw/zinc/10/18/36/466101836.db2.gz FQHJCKYQXYNJNR-GOSISDBHSA-N 1 2 327.428 2.334 20 30 EEEDLO COc1ccc2c(c1)OCC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000338636326 466279369 /nfs/dbraw/zinc/27/93/69/466279369.db2.gz NYHYWGFIQWVFKY-IFXJQAMLSA-N 1 2 345.443 2.333 20 30 EEEDLO COc1ccc2c(c1)OCC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000338636326 466279374 /nfs/dbraw/zinc/27/93/74/466279374.db2.gz NYHYWGFIQWVFKY-IFXJQAMLSA-N 1 2 345.443 2.333 20 30 EEEDLO C=CCCCCNC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000354124278 466343337 /nfs/dbraw/zinc/34/33/37/466343337.db2.gz JBVJSFGFCJYZDI-UHFFFAOYSA-N 1 2 338.473 2.108 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000363529777 466462017 /nfs/dbraw/zinc/46/20/17/466462017.db2.gz OVQBKWNWHGJCIO-UHFFFAOYSA-N 1 2 347.484 2.097 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000363529777 466462025 /nfs/dbraw/zinc/46/20/25/466462025.db2.gz OVQBKWNWHGJCIO-UHFFFAOYSA-N 1 2 347.484 2.097 20 30 EEEDLO COc1cccc(C(=O)N2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)c1OC ZINC000338940762 466506630 /nfs/dbraw/zinc/50/66/30/466506630.db2.gz GLYIALGWLMAWRE-CABCVRRESA-N 1 2 343.427 2.154 20 30 EEEDLO CC[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000332570205 466545018 /nfs/dbraw/zinc/54/50/18/466545018.db2.gz YSWWFUCPBNWPSL-SFHVURJKSA-N 1 2 340.471 2.471 20 30 EEEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000347424230 466625874 /nfs/dbraw/zinc/62/58/74/466625874.db2.gz JGCZMARWXJANML-LBPRGKRZSA-N 1 2 343.452 2.220 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2Cc2ccc(F)cc2C#N)O1 ZINC000374505651 466656156 /nfs/dbraw/zinc/65/61/56/466656156.db2.gz NXFYWPFQZHAPGB-FKSAFCJBSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2Cc2ccc(F)cc2C#N)O1 ZINC000374505651 466656160 /nfs/dbraw/zinc/65/61/60/466656160.db2.gz NXFYWPFQZHAPGB-FKSAFCJBSA-N 1 2 332.375 2.381 20 30 EEEDLO C[C@H](C#N)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000416440440 466734500 /nfs/dbraw/zinc/73/45/00/466734500.db2.gz OVJILXVEXZLCBU-IIMNLJJBSA-N 1 2 345.827 2.056 20 30 EEEDLO C[C@H](C#N)S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000416440440 466734503 /nfs/dbraw/zinc/73/45/03/466734503.db2.gz OVJILXVEXZLCBU-IIMNLJJBSA-N 1 2 345.827 2.056 20 30 EEEDLO CCc1[nH+]c2cc(CNS(=O)(=O)[C@@H](C)C#N)ccc2n1C1CC1 ZINC000416478478 466737286 /nfs/dbraw/zinc/73/72/86/466737286.db2.gz BLQHIMKIPQUXCS-NSHDSACASA-N 1 2 332.429 2.265 20 30 EEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000373388971 466789376 /nfs/dbraw/zinc/78/93/76/466789376.db2.gz AOBLPIHEDDCVDU-LBPRGKRZSA-N 1 2 336.804 2.461 20 30 EEEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000429237115 467314981 /nfs/dbraw/zinc/31/49/81/467314981.db2.gz JXPAPQWWGMMDQU-KUHUBIRLSA-N 1 2 344.434 2.145 20 30 EEEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000429237115 467314984 /nfs/dbraw/zinc/31/49/84/467314984.db2.gz JXPAPQWWGMMDQU-KUHUBIRLSA-N 1 2 344.434 2.145 20 30 EEEDLO COc1cc(C#N)ccc1OCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452336958 467349736 /nfs/dbraw/zinc/34/97/36/467349736.db2.gz XTRBFONUSDIBIO-UHFFFAOYSA-N 1 2 326.356 2.117 20 30 EEEDLO CCn1c(SC[C@H](O)C[N@H+](C)CCC#N)nnc1-c1ccccc1 ZINC000414093270 467376729 /nfs/dbraw/zinc/37/67/29/467376729.db2.gz HBGWFUGYSBYUMA-OAHLLOKOSA-N 1 2 345.472 2.263 20 30 EEEDLO CCn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccccc1 ZINC000414093270 467376732 /nfs/dbraw/zinc/37/67/32/467376732.db2.gz HBGWFUGYSBYUMA-OAHLLOKOSA-N 1 2 345.472 2.263 20 30 EEEDLO C=CCc1ccc(OCC(=O)NCc2[nH+]ccn2CC)c(OC)c1 ZINC000452574718 467393510 /nfs/dbraw/zinc/39/35/10/467393510.db2.gz OBNCUISTINMISO-UHFFFAOYSA-N 1 2 329.400 2.335 20 30 EEEDLO C=C(C)CN(CC)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414592892 467421214 /nfs/dbraw/zinc/42/12/14/467421214.db2.gz VOKFCVDATSQJID-KRWDZBQOSA-N 1 2 343.471 2.144 20 30 EEEDLO C=C(C)CN(CC)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414592892 467421218 /nfs/dbraw/zinc/42/12/18/467421218.db2.gz VOKFCVDATSQJID-KRWDZBQOSA-N 1 2 343.471 2.144 20 30 EEEDLO C=CCc1ccc(OC[C@@H](O)C[NH+]2CC(OC(F)F)C2)c(OC)c1 ZINC000435876927 467500586 /nfs/dbraw/zinc/50/05/86/467500586.db2.gz LSMRSNNHMHWMCN-ZDUSSCGKSA-N 1 2 343.370 2.087 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000437629361 467557118 /nfs/dbraw/zinc/55/71/18/467557118.db2.gz OVFUNNWXCGVMFX-YOEHRIQHSA-N 1 2 328.416 2.157 20 30 EEEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000448764168 467600879 /nfs/dbraw/zinc/60/08/79/467600879.db2.gz KIXRGQZXGKFFIB-OTYXRUKQSA-N 1 2 333.189 2.263 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000456764774 467717539 /nfs/dbraw/zinc/71/75/39/467717539.db2.gz FUFOSTBUOHNKDU-IRXDYDNUSA-N 1 2 334.485 2.220 20 30 EEEDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2nc(C)c(C#N)cc2Cl)C1 ZINC000450541762 467867285 /nfs/dbraw/zinc/86/72/85/467867285.db2.gz SZLNYTZBVGTXQE-GFCCVEGCSA-N 1 2 336.823 2.212 20 30 EEEDLO COC(=O)C[N@H+]1CCC[C@H](CNc2nc(C)c(C#N)cc2Cl)C1 ZINC000450541762 467867288 /nfs/dbraw/zinc/86/72/88/467867288.db2.gz SZLNYTZBVGTXQE-GFCCVEGCSA-N 1 2 336.823 2.212 20 30 EEEDLO COC(=O)[C@@H]([N@H+](C)CCOCc1ccc(C#N)cc1)C1(OC)CCC1 ZINC000459544100 467960661 /nfs/dbraw/zinc/96/06/61/467960661.db2.gz ZPRXYCWIVRXBEP-QGZVFWFLSA-N 1 2 346.427 2.117 20 30 EEEDLO COC(=O)[C@@H]([N@@H+](C)CCOCc1ccc(C#N)cc1)C1(OC)CCC1 ZINC000459544100 467960664 /nfs/dbraw/zinc/96/06/64/467960664.db2.gz ZPRXYCWIVRXBEP-QGZVFWFLSA-N 1 2 346.427 2.117 20 30 EEEDLO Cc1cn(-c2ccccc2Cl)nc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000514983693 467966304 /nfs/dbraw/zinc/96/63/04/467966304.db2.gz JRXLTUUYWRSREJ-KRWDZBQOSA-N 1 2 345.834 2.408 20 30 EEEDLO Cc1nn(C)c(N2CC[NH+](Cc3nc4ccccc4o3)CC2)c1C#N ZINC000530413883 467982569 /nfs/dbraw/zinc/98/25/69/467982569.db2.gz BBJHAEVVTRGIHU-UHFFFAOYSA-N 1 2 336.399 2.064 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000516654669 468040565 /nfs/dbraw/zinc/04/05/65/468040565.db2.gz QWGVUBWVZVDRGE-USBNGQNGSA-N 1 2 325.334 2.167 20 30 EEEDLO COc1ccccc1C[NH+]1CCN(C(=O)C2(C#N)CC(C)C2)CC1 ZINC000531563981 468060945 /nfs/dbraw/zinc/06/09/45/468060945.db2.gz YFBKUFWAQDMHOI-UHFFFAOYSA-N 1 2 327.428 2.279 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000488544852 468091271 /nfs/dbraw/zinc/09/12/71/468091271.db2.gz AUNJJHILOKKLIM-GOSISDBHSA-N 1 2 339.439 2.305 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000488544852 468091273 /nfs/dbraw/zinc/09/12/73/468091273.db2.gz AUNJJHILOKKLIM-GOSISDBHSA-N 1 2 339.439 2.305 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1CCCC1N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000495627279 468098518 /nfs/dbraw/zinc/09/85/18/468098518.db2.gz VIZFAICWPPYOGE-RWMBFGLXSA-N 1 2 335.452 2.280 20 30 EEEDLO Cc1nc(-c2ccc(C)cc2NC(=O)C[NH+]2CCC(C#N)CC2)n[nH]1 ZINC000532266885 468107296 /nfs/dbraw/zinc/10/72/96/468107296.db2.gz HMJFEIBETPAOIB-UHFFFAOYSA-N 1 2 338.415 2.263 20 30 EEEDLO COCC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCO[C@H]1C ZINC000489502218 468145964 /nfs/dbraw/zinc/14/59/64/468145964.db2.gz XWRRNUIOCHCGIN-BBRMVZONSA-N 1 2 342.399 2.234 20 30 EEEDLO COCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCO[C@H]1C ZINC000489502218 468145970 /nfs/dbraw/zinc/14/59/70/468145970.db2.gz XWRRNUIOCHCGIN-BBRMVZONSA-N 1 2 342.399 2.234 20 30 EEEDLO Cn1cc[nH+]c1[C@H](CC(=O)N(CCC#N)CCC#N)C(F)(F)F ZINC000566436048 468151649 /nfs/dbraw/zinc/15/16/49/468151649.db2.gz XMQMAUUGMURZFP-NSHDSACASA-N 1 2 327.310 2.112 20 30 EEEDLO N#Cc1cccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)n1 ZINC000589614842 468166825 /nfs/dbraw/zinc/16/68/25/468166825.db2.gz NZTYPGBWXQSBGR-UHFFFAOYSA-N 1 2 333.351 2.481 20 30 EEEDLO CN(C)c1cc(C#N)cc(C(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000590092815 468214018 /nfs/dbraw/zinc/21/40/18/468214018.db2.gz JVPHFXNSWBLQDR-UHFFFAOYSA-N 1 2 334.423 2.370 20 30 EEEDLO CCOc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H](CC#N)C3)C2=O)cc1 ZINC000594659554 468645900 /nfs/dbraw/zinc/64/59/00/468645900.db2.gz DWONBCRULHTFGP-YOEHRIQHSA-N 1 2 341.411 2.343 20 30 EEEDLO CCOc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@@H](CC#N)C3)C2=O)cc1 ZINC000594659554 468645903 /nfs/dbraw/zinc/64/59/03/468645903.db2.gz DWONBCRULHTFGP-YOEHRIQHSA-N 1 2 341.411 2.343 20 30 EEEDLO CC[NH+]1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000594743920 468670980 /nfs/dbraw/zinc/67/09/80/468670980.db2.gz AOHBDRWOUJOGQK-UHFFFAOYSA-N 1 2 349.481 2.408 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1C#N ZINC000597854975 468694171 /nfs/dbraw/zinc/69/41/71/468694171.db2.gz OCYNQFMUGXAVSV-NSHDSACASA-N 1 2 348.472 2.231 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1C#N ZINC000597854975 468694176 /nfs/dbraw/zinc/69/41/76/468694176.db2.gz OCYNQFMUGXAVSV-NSHDSACASA-N 1 2 348.472 2.231 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000584763611 468929453 /nfs/dbraw/zinc/92/94/53/468929453.db2.gz ZSZHQQVPHZFEGB-MSOLQXFVSA-N 1 2 345.443 2.374 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000562582779 468997664 /nfs/dbraw/zinc/99/76/64/468997664.db2.gz BKAZAMFNSCMDJG-OWCLPIDISA-N 1 2 326.400 2.152 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822390 469028388 /nfs/dbraw/zinc/02/83/88/469028388.db2.gz SKXBDDQLBZZCFG-KSSFIOAISA-N 1 2 333.476 2.320 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822390 469028391 /nfs/dbraw/zinc/02/83/91/469028391.db2.gz SKXBDDQLBZZCFG-KSSFIOAISA-N 1 2 333.476 2.320 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnc(C4CC4)o3)CC2)cc1 ZINC000602758517 469056294 /nfs/dbraw/zinc/05/62/94/469056294.db2.gz LXBKANAJMXVOTE-UHFFFAOYSA-N 1 2 336.395 2.382 20 30 EEEDLO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CCN(CCC#N)CC1 ZINC000611174410 469181918 /nfs/dbraw/zinc/18/19/18/469181918.db2.gz ILVYAVWCYMQBCD-DLBZAZTESA-N 1 2 340.471 2.274 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(O)ccc1Cl ZINC000599318082 469207579 /nfs/dbraw/zinc/20/75/79/469207579.db2.gz ZZOXZRZZWUGROW-GFCCVEGCSA-N 1 2 343.818 2.418 20 30 EEEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(O)ccc1Cl ZINC000599318082 469207585 /nfs/dbraw/zinc/20/75/85/469207585.db2.gz ZZOXZRZZWUGROW-GFCCVEGCSA-N 1 2 343.818 2.418 20 30 EEEDLO CC1CCN(c2ccc(CNC(=O)N3CC[C@@](F)(C#N)C3)c[nH+]2)CC1 ZINC000615534529 469256756 /nfs/dbraw/zinc/25/67/56/469256756.db2.gz DBOFSVNSYSOXFG-GOSISDBHSA-N 1 2 345.422 2.465 20 30 EEEDLO N#CCCC1CCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000564905316 469262141 /nfs/dbraw/zinc/26/21/41/469262141.db2.gz QTNWUFFSWKCLGI-INIZCTEOSA-N 1 2 329.448 2.205 20 30 EEEDLO N#CCCC1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000564905316 469262147 /nfs/dbraw/zinc/26/21/47/469262147.db2.gz QTNWUFFSWKCLGI-INIZCTEOSA-N 1 2 329.448 2.205 20 30 EEEDLO N#Cc1cc(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)ccn1 ZINC000603131067 469276069 /nfs/dbraw/zinc/27/60/69/469276069.db2.gz IJCMSGWWRGTSFF-UHFFFAOYSA-N 1 2 339.374 2.442 20 30 EEEDLO Cc1ncc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cn1 ZINC000611552301 469277095 /nfs/dbraw/zinc/27/70/95/469277095.db2.gz VEZJIQSFDPEFCD-GOSISDBHSA-N 1 2 325.391 2.307 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC(C)(C)CCC#N)C(C)(C)CO ZINC000596601247 469311018 /nfs/dbraw/zinc/31/10/18/469311018.db2.gz QFUVOWYCXHKKFX-ZDUSSCGKSA-N 1 2 335.452 2.109 20 30 EEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000619719696 469669556 /nfs/dbraw/zinc/66/95/56/469669556.db2.gz WKUKEOBQTWHJOT-QGZVFWFLSA-N 1 2 334.416 2.308 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617728857 469776728 /nfs/dbraw/zinc/77/67/28/469776728.db2.gz ZBXJNIHRHDMVOC-GJZGRUSLSA-N 1 2 348.443 2.099 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617728857 469776731 /nfs/dbraw/zinc/77/67/31/469776731.db2.gz ZBXJNIHRHDMVOC-GJZGRUSLSA-N 1 2 348.443 2.099 20 30 EEEDLO C=CCCOCC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000620202276 469786997 /nfs/dbraw/zinc/78/69/97/469786997.db2.gz QHHGYTMEBOJVCW-SFHVURJKSA-N 1 2 332.444 2.077 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609484567 469931983 /nfs/dbraw/zinc/93/19/83/469931983.db2.gz AFJCJUNDYZGXTA-QGZVFWFLSA-N 1 2 332.404 2.139 20 30 EEEDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609485022 469932199 /nfs/dbraw/zinc/93/21/99/469932199.db2.gz HSZMEOIJOIPDAC-INIZCTEOSA-N 1 2 332.404 2.269 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000609486719 469933015 /nfs/dbraw/zinc/93/30/15/469933015.db2.gz PUFOUIFVKZBFEY-LPHOPBHVSA-N 1 2 340.471 2.130 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000609486394 469933032 /nfs/dbraw/zinc/93/30/32/469933032.db2.gz JPJQKOBVWZDFPR-KRWDZBQOSA-N 1 2 332.404 2.139 20 30 EEEDLO CC[C@H](Cc1ccccc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000609569659 469941593 /nfs/dbraw/zinc/94/15/93/469941593.db2.gz MVOVFQZNFUQKJM-LJQANCHMSA-N 1 2 343.471 2.330 20 30 EEEDLO CC(C)(C#N)CCn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000610286330 469999781 /nfs/dbraw/zinc/99/97/81/469999781.db2.gz RWFILQWAPPYEOM-MRXNPFEDSA-N 1 2 340.431 2.186 20 30 EEEDLO CC(C)(C#N)CCn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000610286330 469999783 /nfs/dbraw/zinc/99/97/83/469999783.db2.gz RWFILQWAPPYEOM-MRXNPFEDSA-N 1 2 340.431 2.186 20 30 EEEDLO C=CCOc1c(Cl)cc(C[N@@H+](C)CC(=O)NCC)cc1OC ZINC000628149125 470065725 /nfs/dbraw/zinc/06/57/25/470065725.db2.gz NKJLLXHETJYKSU-UHFFFAOYSA-N 1 2 326.824 2.481 20 30 EEEDLO C=CCOc1c(Cl)cc(C[N@H+](C)CC(=O)NCC)cc1OC ZINC000628149125 470065726 /nfs/dbraw/zinc/06/57/26/470065726.db2.gz NKJLLXHETJYKSU-UHFFFAOYSA-N 1 2 326.824 2.481 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645363841 471226273 /nfs/dbraw/zinc/22/62/73/471226273.db2.gz VMLDPBLFZGOPIP-QAPCUYQASA-N 1 2 342.443 2.466 20 30 EEEDLO C=CC(C)(C)CNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000652221424 471257639 /nfs/dbraw/zinc/25/76/39/471257639.db2.gz GPILEOHQNAMYII-UHFFFAOYSA-N 1 2 344.459 2.408 20 30 EEEDLO C=CCCn1cc(C[NH+]2CCN(c3cccc(OC)c3)CC2)nn1 ZINC000653482208 471632840 /nfs/dbraw/zinc/63/28/40/471632840.db2.gz BZRVQVIFHDPETG-UHFFFAOYSA-N 1 2 327.432 2.185 20 30 EEEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@@H]1COCCO1 ZINC000661609036 471823053 /nfs/dbraw/zinc/82/30/53/471823053.db2.gz YUZNXGUUPVPPOO-OAHLLOKOSA-N 1 2 341.411 2.085 20 30 EEEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@@H]1COCCO1 ZINC000661609036 471823058 /nfs/dbraw/zinc/82/30/58/471823058.db2.gz YUZNXGUUPVPPOO-OAHLLOKOSA-N 1 2 341.411 2.085 20 30 EEEDLO C=CCN(Cc1ccccc1F)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356374131 526361862 /nfs/dbraw/zinc/36/18/62/526361862.db2.gz ZWRHFEUYKZAVSZ-OAHLLOKOSA-N 1 2 335.423 2.244 20 30 EEEDLO C=CCN(Cc1ccccc1F)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356374131 526361867 /nfs/dbraw/zinc/36/18/67/526361867.db2.gz ZWRHFEUYKZAVSZ-OAHLLOKOSA-N 1 2 335.423 2.244 20 30 EEEDLO C=C(C)COc1cc(C[N@H+](C)CCS(C)(=O)=O)ccc1OC ZINC000155201150 526659928 /nfs/dbraw/zinc/65/99/28/526659928.db2.gz MNFMYOUPMDFOPX-UHFFFAOYSA-N 1 2 327.446 2.127 20 30 EEEDLO C=C(C)COc1cc(C[N@@H+](C)CCS(C)(=O)=O)ccc1OC ZINC000155201150 526659937 /nfs/dbraw/zinc/65/99/37/526659937.db2.gz MNFMYOUPMDFOPX-UHFFFAOYSA-N 1 2 327.446 2.127 20 30 EEEDLO C=CCOc1ccccc1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413272527 526941203 /nfs/dbraw/zinc/94/12/03/526941203.db2.gz XJDSTUOFQXLTKO-UHFFFAOYSA-N 1 2 347.459 2.161 20 30 EEEDLO C=CC[C@H](CO)CNC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000416194020 527181867 /nfs/dbraw/zinc/18/18/67/527181867.db2.gz SPDLLCUFXVNKGA-AWEZNQCLSA-N 1 2 339.439 2.137 20 30 EEEDLO C=CC[C@H](CO)CNC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000416194020 527181873 /nfs/dbraw/zinc/18/18/73/527181873.db2.gz SPDLLCUFXVNKGA-AWEZNQCLSA-N 1 2 339.439 2.137 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000416242960 527471010 /nfs/dbraw/zinc/47/10/10/527471010.db2.gz GWXFCORIKJCZSF-CQSZACIVSA-N 1 2 339.439 2.280 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000416242960 527471014 /nfs/dbraw/zinc/47/10/14/527471014.db2.gz GWXFCORIKJCZSF-CQSZACIVSA-N 1 2 339.439 2.280 20 30 EEEDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000093771793 527732658 /nfs/dbraw/zinc/73/26/58/527732658.db2.gz NDOOYHQYOIZQFZ-MRXNPFEDSA-N 1 2 345.443 2.478 20 30 EEEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000093771793 527732663 /nfs/dbraw/zinc/73/26/63/527732663.db2.gz NDOOYHQYOIZQFZ-MRXNPFEDSA-N 1 2 345.443 2.478 20 30 EEEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccn(CCC#N)n1 ZINC000191900660 528861276 /nfs/dbraw/zinc/86/12/76/528861276.db2.gz XHPKFTYLMIHHSC-UHFFFAOYSA-N 1 2 343.435 2.500 20 30 EEEDLO C[C@H](C(=O)OCCCOc1cccc(C#N)c1)[NH+]1CCSCC1 ZINC000774985896 577425415 /nfs/dbraw/zinc/42/54/15/577425415.db2.gz DZHMJQLBGGXDDL-CQSZACIVSA-N 1 2 334.441 2.308 20 30 EEEDLO C=CC[C@H](CO)CNC(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000775431642 577437186 /nfs/dbraw/zinc/43/71/86/577437186.db2.gz WMMCVOBNYCPFJU-HNNXBMFYSA-N 1 2 347.459 2.148 20 30 EEEDLO C#C[C@H]([NH2+]Cc1nc(-c2cc(F)c(F)c(F)c2)no1)[C@H]1CCCO1 ZINC000775801868 577446356 /nfs/dbraw/zinc/44/63/56/577446356.db2.gz ZNSSCNJQRZIUIK-QWHCGFSZSA-N 1 2 337.301 2.424 20 30 EEEDLO Cn1c(=O)c2ccccc2nc1N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000758373159 577623183 /nfs/dbraw/zinc/62/31/83/577623183.db2.gz CYALKUFXTOPMBP-UHFFFAOYSA-N 1 2 348.410 2.375 20 30 EEEDLO O=[N+]([O-])c1ccc(O)c(/C=N\[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000763098476 577714902 /nfs/dbraw/zinc/71/49/02/577714902.db2.gz XTWMNGMFZGDQDO-HMNDXINRSA-N 1 2 333.388 2.363 20 30 EEEDLO Cc1cccn2c(C=CC(=O)C3=C(C)N=C4N=NNN4[C@@H]3C)c[nH+]c12 ZINC000752878312 577777467 /nfs/dbraw/zinc/77/74/67/577777467.db2.gz CHHCSMKBLOBVPI-NNNHXZLVSA-N 1 2 335.371 2.445 20 30 EEEDLO Oc1c(Br)cccc1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753935078 577796572 /nfs/dbraw/zinc/79/65/72/577796572.db2.gz MKEKMXXNHPHZJL-VXGBXAGGSA-N 1 2 337.221 2.349 20 30 EEEDLO CC[C@H](C)CN=Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000755699412 577829509 /nfs/dbraw/zinc/82/95/09/577829509.db2.gz YUZWUWIDCVZVJT-AWEZNQCLSA-N 1 2 338.477 2.067 20 30 EEEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)NCCC#N)CC1 ZINC000743855614 577890620 /nfs/dbraw/zinc/89/06/20/577890620.db2.gz TYLXJILEXLNTOT-AWEZNQCLSA-N 1 2 334.851 2.048 20 30 EEEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000745085291 577908433 /nfs/dbraw/zinc/90/84/33/577908433.db2.gz ZCXQFYAZCCOXDK-CHWSQXEVSA-N 1 2 335.429 2.045 20 30 EEEDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000745085291 577908434 /nfs/dbraw/zinc/90/84/34/577908434.db2.gz ZCXQFYAZCCOXDK-CHWSQXEVSA-N 1 2 335.429 2.045 20 30 EEEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N(CCC#N)c1ccccc1 ZINC000745085232 577908550 /nfs/dbraw/zinc/90/85/50/577908550.db2.gz FMGLTUVBUDHDAJ-QGZVFWFLSA-N 1 2 343.427 2.351 20 30 EEEDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N(CCC#N)c1ccccc1 ZINC000745085232 577908551 /nfs/dbraw/zinc/90/85/51/577908551.db2.gz FMGLTUVBUDHDAJ-QGZVFWFLSA-N 1 2 343.427 2.351 20 30 EEEDLO C=C(Br)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741383322 578118254 /nfs/dbraw/zinc/11/82/54/578118254.db2.gz LLGGOOKBZFIVKR-CQSZACIVSA-N 1 2 340.217 2.339 20 30 EEEDLO C=C(Br)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741383322 578118255 /nfs/dbraw/zinc/11/82/55/578118255.db2.gz LLGGOOKBZFIVKR-CQSZACIVSA-N 1 2 340.217 2.339 20 30 EEEDLO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)c1 ZINC000820841615 599438386 /nfs/dbraw/zinc/43/83/86/599438386.db2.gz APPSHFYADOYFBC-CYBMUJFWSA-N 1 2 338.371 2.430 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCCC[N@@H+]2Cc2ncccn2)cn1 ZINC000969121422 674601890 /nfs/dbraw/zinc/60/18/90/674601890.db2.gz HUZXXVHBVRKBLG-GOSISDBHSA-N 1 2 349.438 2.028 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCCC[N@H+]2Cc2ncccn2)cn1 ZINC000969121422 674601892 /nfs/dbraw/zinc/60/18/92/674601892.db2.gz HUZXXVHBVRKBLG-GOSISDBHSA-N 1 2 349.438 2.028 20 30 EEEDLO C[C@@H](NC(=O)c1ccncc1F)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000969428701 675001429 /nfs/dbraw/zinc/00/14/29/675001429.db2.gz XUAFFZKQGDHCCU-CYBMUJFWSA-N 1 2 338.386 2.343 20 30 EEEDLO C[C@H](NC(=O)[C@H]1CCCCO1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969483407 675067020 /nfs/dbraw/zinc/06/70/20/675067020.db2.gz NROSLXLHUPFREJ-SCLBCKFNSA-N 1 2 345.418 2.203 20 30 EEEDLO C[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970446092 675901093 /nfs/dbraw/zinc/90/10/93/675901093.db2.gz ZPJDBSDKTNYOAO-SNUQEOBHSA-N 1 2 345.418 2.201 20 30 EEEDLO C[C@@H](NC(=O)[C@H]1CC12CC2)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970494603 675936762 /nfs/dbraw/zinc/93/67/62/675936762.db2.gz KNKOIIGGPRJTJO-MLGOLLRUSA-N 1 2 327.403 2.434 20 30 EEEDLO CCc1ncncc1C(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970889098 676217136 /nfs/dbraw/zinc/21/71/36/676217136.db2.gz PDZNXRVBVZMAMQ-CQSZACIVSA-N 1 2 349.438 2.161 20 30 EEEDLO COC1CC(C(=O)N[C@H](C)C2C[NH+](Cc3ccc(C#N)cc3F)C2)C1 ZINC000969915269 675303697 /nfs/dbraw/zinc/30/36/97/675303697.db2.gz CCQTWLVHRBWLLN-OLJMKKDRSA-N 1 2 345.418 2.059 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC000970000810 675374615 /nfs/dbraw/zinc/37/46/15/675374615.db2.gz NGODXHNWTAODEP-LLVKDONJSA-N 1 2 346.818 2.138 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnc3cc(C)nn3c2C)C1 ZINC000970242628 675747197 /nfs/dbraw/zinc/74/71/97/675747197.db2.gz MWUHTFDROHPNLU-GFCCVEGCSA-N 1 2 347.850 2.149 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccns3)C2)cc1 ZINC000970256695 675750322 /nfs/dbraw/zinc/75/03/22/675750322.db2.gz OQKZFXWVCOZZMH-ZDUSSCGKSA-N 1 2 325.437 2.375 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnn3c2nc(C)cc3C)C1 ZINC000970254009 675755158 /nfs/dbraw/zinc/75/51/58/675755158.db2.gz UOUOQTZXQVYSGF-CYBMUJFWSA-N 1 2 347.850 2.149 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC000971058026 676346079 /nfs/dbraw/zinc/34/60/79/676346079.db2.gz FBNKEFXUUCOGAF-INIZCTEOSA-N 1 2 326.375 2.372 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC000971058026 676346081 /nfs/dbraw/zinc/34/60/81/676346081.db2.gz FBNKEFXUUCOGAF-INIZCTEOSA-N 1 2 326.375 2.372 20 30 EEEDLO Cc1ocnc1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971174513 676427163 /nfs/dbraw/zinc/42/71/63/676427163.db2.gz ZXWCBPSYKPNJJU-MRXNPFEDSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1ocnc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000971174513 676427165 /nfs/dbraw/zinc/42/71/65/676427165.db2.gz ZXWCBPSYKPNJJU-MRXNPFEDSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)nc2ccccc12 ZINC000971221849 676445199 /nfs/dbraw/zinc/44/51/99/676445199.db2.gz RRSYWVVQYAFNOB-HIFRSBDPSA-N 1 2 337.427 2.131 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)nc2ccccc12 ZINC000971221849 676445200 /nfs/dbraw/zinc/44/52/00/676445200.db2.gz RRSYWVVQYAFNOB-HIFRSBDPSA-N 1 2 337.427 2.131 20 30 EEEDLO Cc1cnc([C@H](C)[N@H+](C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC000971375936 676508649 /nfs/dbraw/zinc/50/86/49/676508649.db2.gz FFKBEEVKIWBAIR-WFASDCNBSA-N 1 2 327.388 2.090 20 30 EEEDLO Cc1cnc([C@H](C)[N@@H+](C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC000971375936 676508650 /nfs/dbraw/zinc/50/86/50/676508650.db2.gz FFKBEEVKIWBAIR-WFASDCNBSA-N 1 2 327.388 2.090 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+](C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC000971375932 676508751 /nfs/dbraw/zinc/50/87/51/676508751.db2.gz FFKBEEVKIWBAIR-DOMZBBRYSA-N 1 2 327.388 2.090 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+](C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC000971375932 676508752 /nfs/dbraw/zinc/50/87/52/676508752.db2.gz FFKBEEVKIWBAIR-DOMZBBRYSA-N 1 2 327.388 2.090 20 30 EEEDLO C=CCCCN(CC)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000892258630 678350289 /nfs/dbraw/zinc/35/02/89/678350289.db2.gz CIPMSHMGIFNYLH-QGZVFWFLSA-N 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ZINC000972413693 678706234 /nfs/dbraw/zinc/70/62/34/678706234.db2.gz PCCMWFGLBSWGTE-APWZRJJASA-N 1 2 349.450 2.339 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000972572435 679330458 /nfs/dbraw/zinc/33/04/58/679330458.db2.gz JRWYTUOCFHCRTK-HXUWFJFHSA-N 1 2 337.423 2.108 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000972572435 679330459 /nfs/dbraw/zinc/33/04/59/679330459.db2.gz JRWYTUOCFHCRTK-HXUWFJFHSA-N 1 2 337.423 2.108 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccsc3Cl)C2)C1 ZINC000972581455 679349570 /nfs/dbraw/zinc/34/95/70/679349570.db2.gz ACKZZWBRYQZSPR-INIZCTEOSA-N 1 2 338.860 2.342 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccsc3Cl)C2)C1 ZINC000972581455 679349572 /nfs/dbraw/zinc/34/95/72/679349572.db2.gz ACKZZWBRYQZSPR-INIZCTEOSA-N 1 2 338.860 2.342 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4scnc4c3)C2)C1 ZINC000972621688 679441994 /nfs/dbraw/zinc/44/19/94/679441994.db2.gz NXMZEJGRVJVIJF-SFHVURJKSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4scnc4c3)C2)C1 ZINC000972621688 679441995 /nfs/dbraw/zinc/44/19/95/679441995.db2.gz NXMZEJGRVJVIJF-SFHVURJKSA-N 1 2 343.452 2.399 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccc(C)cc3)C2)C1 ZINC000972643124 679495592 /nfs/dbraw/zinc/49/55/92/679495592.db2.gz OJXBLNWVESCCSP-XLIONFOSSA-N 1 2 326.440 2.035 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccc(C)cc3)C2)C1 ZINC000972643124 679495594 /nfs/dbraw/zinc/49/55/94/679495594.db2.gz OJXBLNWVESCCSP-XLIONFOSSA-N 1 2 326.440 2.035 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cc(C)ccc3F)C2)C1 ZINC000972646186 679501378 /nfs/dbraw/zinc/50/13/78/679501378.db2.gz DTOLZIHEUVWBMJ-IBGZPJMESA-N 1 2 332.419 2.166 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cc(C)ccc3F)C2)C1 ZINC000972646186 679501380 /nfs/dbraw/zinc/50/13/80/679501380.db2.gz DTOLZIHEUVWBMJ-IBGZPJMESA-N 1 2 332.419 2.166 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(Cl)no2)C1 ZINC000972777585 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ZINC001029466803 684841899 /nfs/dbraw/zinc/84/18/99/684841899.db2.gz ZZXNODFJYPRLKW-CALCHBBNSA-N 1 2 345.487 2.030 20 30 EEEDLO N#Cc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001026855649 685191289 /nfs/dbraw/zinc/19/12/89/685191289.db2.gz KFNDUDDJIDJULD-FZMZJTMJSA-N 1 2 343.324 2.397 20 30 EEEDLO N#Cc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001026855649 685191291 /nfs/dbraw/zinc/19/12/91/685191291.db2.gz KFNDUDDJIDJULD-FZMZJTMJSA-N 1 2 343.324 2.397 20 30 EEEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000928642573 685798833 /nfs/dbraw/zinc/79/88/33/685798833.db2.gz AIZIKYOIOUKQHW-KRWDZBQOSA-N 1 2 329.444 2.328 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H](C[N@H+](C)Cc2nnnn2C(C)C)C1 ZINC001029826632 687221055 /nfs/dbraw/zinc/22/10/55/687221055.db2.gz SUOPLDOQHDYADS-QAPCUYQASA-N 1 2 348.495 2.137 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H](C[N@@H+](C)Cc2nnnn2C(C)C)C1 ZINC001029826632 687221060 /nfs/dbraw/zinc/22/10/60/687221060.db2.gz 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Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)on1 ZINC001006722161 688084678 /nfs/dbraw/zinc/08/46/78/688084678.db2.gz LTLUTXVPUKXOKZ-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000987095434 689346408 /nfs/dbraw/zinc/34/64/08/689346408.db2.gz XIXQJKFNVHNOSW-INIZCTEOSA-N 1 2 346.475 2.373 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc[nH]1 ZINC001027753493 694326168 /nfs/dbraw/zinc/32/61/68/694326168.db2.gz OJNMXMMPUAHDNH-INIZCTEOSA-N 1 2 326.375 2.420 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1CNC(=O)c1ccc[nH]1 ZINC001027753493 694326173 /nfs/dbraw/zinc/32/61/73/694326173.db2.gz OJNMXMMPUAHDNH-INIZCTEOSA-N 1 2 326.375 2.420 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059820408 689936377 /nfs/dbraw/zinc/93/63/77/689936377.db2.gz WCHMHXGZMUPFNI-HOTGVXAUSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059820408 689936380 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C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2CCc3cc(C#N)ccc32)[nH]n1 ZINC000897595009 691659327 /nfs/dbraw/zinc/65/93/27/691659327.db2.gz YBBTWVAETDAWDH-MAUKXSAKSA-N 1 2 335.411 2.465 20 30 EEEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2CCc3cc(C#N)ccc32)[nH]n1 ZINC000897595009 691659330 /nfs/dbraw/zinc/65/93/30/691659330.db2.gz YBBTWVAETDAWDH-MAUKXSAKSA-N 1 2 335.411 2.465 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2Cc3cccnc3C2)C(C)(C)C1 ZINC000977515527 692713520 /nfs/dbraw/zinc/71/35/20/692713520.db2.gz RXHPGLJMRDQOGK-ZBFHGGJFSA-N 1 2 333.863 2.376 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2Cc3cccnc3C2)C(C)(C)C1 ZINC000977515527 692713521 /nfs/dbraw/zinc/71/35/21/692713521.db2.gz RXHPGLJMRDQOGK-ZBFHGGJFSA-N 1 2 333.863 2.376 20 30 EEEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CCN2C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000978343839 693513185 /nfs/dbraw/zinc/51/31/85/693513185.db2.gz WNFSQZOKEKYFKC-INIZCTEOSA-N 1 2 344.459 2.066 20 30 EEEDLO C[N@H+](CCNC(=O)c1ncc2ccccn21)Cc1ccccc1C#N ZINC001690961153 1176379217 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CCCCCCCC(=O)N1C[C@@H]2C[N@H+](CCn3ccnc3)C[C@H](C1)O2 ZINC001269074769 1183937168 /nfs/dbraw/zinc/93/71/68/1183937168.db2.gz DFXHJGZIQYOASP-HDICACEKSA-N 1 2 348.491 2.155 20 30 EEEDLO C=C(C)CN1CC[C@@]2(CCCN(C(=O)CCn3cc[nH+]c3)CC2)C1=O ZINC001269581832 1184409998 /nfs/dbraw/zinc/40/99/98/1184409998.db2.gz VWFXWYWMAKNRCY-IBGZPJMESA-N 1 2 344.459 2.081 20 30 EEEDLO C=C(C)CN1CC[C@@]2(CCCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1=O ZINC001269661363 1184484710 /nfs/dbraw/zinc/48/47/10/1184484710.db2.gz NCDSXORLSLYELT-IBGZPJMESA-N 1 2 344.459 2.150 20 30 EEEDLO C=C(C)CN1CC[C@@]2(CCCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1=O ZINC001269661363 1184484715 /nfs/dbraw/zinc/48/47/15/1184484715.db2.gz NCDSXORLSLYELT-IBGZPJMESA-N 1 2 344.459 2.150 20 30 EEEDLO C=C(C)CN1CC[C@]2(CCCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1=O ZINC001269661364 1184484856 /nfs/dbraw/zinc/48/48/56/1184484856.db2.gz NCDSXORLSLYELT-LJQANCHMSA-N 1 2 344.459 2.150 20 30 EEEDLO C=C(C)CN1CC[C@]2(CCCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1=O ZINC001269661364 1184484860 /nfs/dbraw/zinc/48/48/60/1184484860.db2.gz NCDSXORLSLYELT-LJQANCHMSA-N 1 2 344.459 2.150 20 30 EEEDLO Cc1cccc(C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c1 ZINC001269748474 1184584439 /nfs/dbraw/zinc/58/44/39/1184584439.db2.gz UFGQSLOMEIYLMP-UHFFFAOYSA-N 1 2 334.423 2.163 20 30 EEEDLO C[NH+](C)Cc1nc(CSCCNc2nnccc2C#N)cs1 ZINC001168108492 1186789858 /nfs/dbraw/zinc/78/98/58/1186789858.db2.gz BGCJCBLFRDDMGH-UHFFFAOYSA-N 1 2 334.474 2.212 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)on1 ZINC001088463946 1186959091 /nfs/dbraw/zinc/95/90/91/1186959091.db2.gz YDGXGQNVWZBAKM-WBMJQRKESA-N 1 2 342.374 2.387 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)on1 ZINC001088463946 1186959097 /nfs/dbraw/zinc/95/90/97/1186959097.db2.gz YDGXGQNVWZBAKM-WBMJQRKESA-N 1 2 342.374 2.387 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)C[C@H]2CCOC2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088501387 1187055049 /nfs/dbraw/zinc/05/50/49/1187055049.db2.gz UVAMRHAXXHWZET-LBTNJELSSA-N 1 2 345.418 2.203 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)C[C@H]2CCOC2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088501387 1187055055 /nfs/dbraw/zinc/05/50/55/1187055055.db2.gz UVAMRHAXXHWZET-LBTNJELSSA-N 1 2 345.418 2.203 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)[C@H]1C ZINC001088613812 1187729451 /nfs/dbraw/zinc/72/94/51/1187729451.db2.gz AUXBQHORVODTFG-OCCSQVGLSA-N 1 2 347.850 2.360 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)[C@H]1C ZINC001088613812 1187729455 /nfs/dbraw/zinc/72/94/55/1187729455.db2.gz AUXBQHORVODTFG-OCCSQVGLSA-N 1 2 347.850 2.360 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2nocc2C)[C@@H]1C ZINC001088623904 1188008244 /nfs/dbraw/zinc/00/82/44/1188008244.db2.gz AZLPVVHWYOWUNC-CABCVRRESA-N 1 2 328.416 2.363 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2nocc2C)[C@@H]1C ZINC001088623904 1188008250 /nfs/dbraw/zinc/00/82/50/1188008250.db2.gz AZLPVVHWYOWUNC-CABCVRRESA-N 1 2 328.416 2.363 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2ncc(C)o2)[C@@H]1C ZINC001088623657 1188009233 /nfs/dbraw/zinc/00/92/33/1188009233.db2.gz MTXXBEQUKKYVCP-CABCVRRESA-N 1 2 328.416 2.363 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)o2)[C@@H]1C ZINC001088623657 1188009237 /nfs/dbraw/zinc/00/92/37/1188009237.db2.gz MTXXBEQUKKYVCP-CABCVRRESA-N 1 2 328.416 2.363 20 30 EEEDLO CC(C)C#CC(=O)NCC[NH2+]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC001126815639 1188442344 /nfs/dbraw/zinc/44/23/44/1188442344.db2.gz GTNPLYZIPWXWGG-UHFFFAOYSA-N 1 2 346.818 2.255 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cnco2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088779119 1188500000 /nfs/dbraw/zinc/50/00/00/1188500000.db2.gz MZFMNWOJTZGWPW-CJNGLKHVSA-N 1 2 327.359 2.058 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cnco2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088779119 1188500002 /nfs/dbraw/zinc/50/00/02/1188500002.db2.gz MZFMNWOJTZGWPW-CJNGLKHVSA-N 1 2 327.359 2.058 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3ccc(Cl)nc3)C2)OCC1=O ZINC001272875727 1193588313 /nfs/dbraw/zinc/58/83/13/1193588313.db2.gz UMGQOHKQNYWGEI-QGZVFWFLSA-N 1 2 335.835 2.114 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3ccc(Cl)nc3)C2)OCC1=O ZINC001272875727 1193588315 /nfs/dbraw/zinc/58/83/15/1193588315.db2.gz UMGQOHKQNYWGEI-QGZVFWFLSA-N 1 2 335.835 2.114 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001076532327 1188973221 /nfs/dbraw/zinc/97/32/21/1188973221.db2.gz BUQZLLHGLVBZEG-KGLIPLIRSA-N 1 2 334.464 2.202 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001076532327 1188973222 /nfs/dbraw/zinc/97/32/22/1188973222.db2.gz BUQZLLHGLVBZEG-KGLIPLIRSA-N 1 2 334.464 2.202 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC001034334193 1196105061 /nfs/dbraw/zinc/10/50/61/1196105061.db2.gz FCTZIACYDQPJAW-LBPRGKRZSA-N 1 2 341.253 2.211 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC001034334193 1196105064 /nfs/dbraw/zinc/10/50/64/1196105064.db2.gz FCTZIACYDQPJAW-LBPRGKRZSA-N 1 2 341.253 2.211 20 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1194415476 /nfs/dbraw/zinc/41/54/76/1194415476.db2.gz LDRRLJMBMYSSIV-LJQANCHMSA-N 1 2 336.439 2.231 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC001033498468 1194649122 /nfs/dbraw/zinc/64/91/22/1194649122.db2.gz YFDWOOJQOYSFHC-DZKIICNBSA-N 1 2 335.473 2.157 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001033498468 1194649125 /nfs/dbraw/zinc/64/91/25/1194649125.db2.gz YFDWOOJQOYSFHC-DZKIICNBSA-N 1 2 335.473 2.157 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001014720661 1224230988 /nfs/dbraw/zinc/23/09/88/1224230988.db2.gz GTWBFKYYLLQZAI-CYBMUJFWSA-N 1 2 331.803 2.497 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC001014720661 1224230993 /nfs/dbraw/zinc/23/09/93/1224230993.db2.gz GTWBFKYYLLQZAI-CYBMUJFWSA-N 1 2 331.803 2.497 20 30 EEEDLO CN(C(=O)c1nccs1)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033521543 1194688444 /nfs/dbraw/zinc/68/84/44/1194688444.db2.gz MCWSLDJZXWTJFY-INIZCTEOSA-N 1 2 325.437 2.341 20 30 EEEDLO CN(C(=O)c1nccs1)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033521543 1194688448 /nfs/dbraw/zinc/68/84/48/1194688448.db2.gz MCWSLDJZXWTJFY-INIZCTEOSA-N 1 2 325.437 2.341 20 30 EEEDLO Cc1cnoc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033550887 1194703883 /nfs/dbraw/zinc/70/38/83/1194703883.db2.gz KZZARDAOUQDASP-OAHLLOKOSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1cnoc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033550887 1194703885 /nfs/dbraw/zinc/70/38/85/1194703885.db2.gz KZZARDAOUQDASP-OAHLLOKOSA-N 1 2 342.374 2.340 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001033707720 1195105971 /nfs/dbraw/zinc/10/59/71/1195105971.db2.gz PMBDUXVNWHVCJN-SWLSCSKDSA-N 1 2 338.883 2.426 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)c2c(C)nn(C)c2C)C1 ZINC001033707720 1195105974 /nfs/dbraw/zinc/10/59/74/1195105974.db2.gz PMBDUXVNWHVCJN-SWLSCSKDSA-N 1 2 338.883 2.426 20 30 EEEDLO 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/nfs/dbraw/zinc/32/30/98/1195323098.db2.gz LZPSIORZCDAZOB-AWEZNQCLSA-N 1 2 343.265 2.165 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2OCC[C@H]2C)C1 ZINC001033955338 1195557140 /nfs/dbraw/zinc/55/71/40/1195557140.db2.gz ZGAWRECQFPOJOM-BNOWGMLFSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2OCC[C@H]2C)C1 ZINC001033955338 1195557144 /nfs/dbraw/zinc/55/71/44/1195557144.db2.gz ZGAWRECQFPOJOM-BNOWGMLFSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001033958166 1195559863 /nfs/dbraw/zinc/55/98/63/1195559863.db2.gz RRQXQSXUJQOZHU-HZSPNIEDSA-N 1 2 345.281 2.385 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001033958166 1195559867 /nfs/dbraw/zinc/55/98/67/1195559867.db2.gz RRQXQSXUJQOZHU-HZSPNIEDSA-N 1 2 345.281 2.385 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001033959177 1195561089 /nfs/dbraw/zinc/56/10/89/1195561089.db2.gz 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N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)c(F)cc2N)C1=O ZINC001274167456 1204427583 /nfs/dbraw/zinc/42/75/83/1204427583.db2.gz DLHQMAJNNMBEMI-SFHVURJKSA-N 1 2 348.397 2.418 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000887995112 1204529717 /nfs/dbraw/zinc/52/97/17/1204529717.db2.gz YLTFHSOGVGYEHY-AWEZNQCLSA-N 1 2 332.201 2.357 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000887995112 1204529719 /nfs/dbraw/zinc/52/97/19/1204529719.db2.gz YLTFHSOGVGYEHY-AWEZNQCLSA-N 1 2 332.201 2.357 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cn(C)nc2C(F)(F)F)C1=O ZINC001274480062 1205052893 /nfs/dbraw/zinc/05/28/93/1205052893.db2.gz JHZRWGRRLPJOGJ-OAHLLOKOSA-N 1 2 342.365 2.192 20 30 EEEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cn(C)nc2C(F)(F)F)C1=O ZINC001274480062 1205052897 /nfs/dbraw/zinc/05/28/97/1205052897.db2.gz JHZRWGRRLPJOGJ-OAHLLOKOSA-N 1 2 342.365 2.192 20 30 EEEDLO Cc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3CCc2ccc(C#N)cc2)n(C)n1 ZINC001274920970 1205207411 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344.459 2.194 20 30 EEEDLO N#Cc1c(F)cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1F ZINC001412362287 1205705100 /nfs/dbraw/zinc/70/51/00/1205705100.db2.gz OQZWLDJYXPRPTC-UHFFFAOYSA-N 1 2 328.322 2.194 20 30 EEEDLO Cc1cc(N(C)CCCNC(=O)c2c[nH]c(C#N)c2)nc(C(C)C)[nH+]1 ZINC001095523953 1205855711 /nfs/dbraw/zinc/85/57/11/1205855711.db2.gz ZNLDSZOFQZHBDK-UHFFFAOYSA-N 1 2 340.431 2.365 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1 ZINC001110935071 1206315290 /nfs/dbraw/zinc/31/52/90/1206315290.db2.gz WOFCKTOBCMPHTJ-DDBAPUKQSA-N 1 2 347.503 2.227 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1 ZINC001110935071 1206315292 /nfs/dbraw/zinc/31/52/92/1206315292.db2.gz WOFCKTOBCMPHTJ-DDBAPUKQSA-N 1 2 347.503 2.227 20 30 EEEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000931145306 1206610778 /nfs/dbraw/zinc/61/07/78/1206610778.db2.gz GFNAEVLBSBMPBV-UHFFFAOYSA-N 1 2 326.318 2.104 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cccc3nccn32)C1 ZINC001015265966 1225007338 /nfs/dbraw/zinc/00/73/38/1225007338.db2.gz XIXKCOMHVKWUEU-KRWDZBQOSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cccc3nccn32)C1 ZINC001015265966 1225007349 /nfs/dbraw/zinc/00/73/49/1225007349.db2.gz XIXKCOMHVKWUEU-KRWDZBQOSA-N 1 2 345.406 2.210 20 30 EEEDLO CSCC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000932591777 1207632807 /nfs/dbraw/zinc/63/28/07/1207632807.db2.gz GKMNQDOECVUMQB-UHFFFAOYSA-N 1 2 338.498 2.407 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cc(C)n[nH]2)C[C@H]1C ZINC000947102768 1207823844 /nfs/dbraw/zinc/82/38/44/1207823844.db2.gz DEZHZJHTJNARPF-NEPJUHHUSA-N 1 2 341.253 2.209 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)n[nH]2)C[C@H]1C ZINC000947102768 1207823848 /nfs/dbraw/zinc/82/38/48/1207823848.db2.gz DEZHZJHTJNARPF-NEPJUHHUSA-N 1 2 341.253 2.209 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000934445300 1207965168 /nfs/dbraw/zinc/96/51/68/1207965168.db2.gz NCGCPSUTGQTYOK-CABCVRRESA-N 1 2 339.480 2.256 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000934445300 1207965171 /nfs/dbraw/zinc/96/51/71/1207965171.db2.gz NCGCPSUTGQTYOK-CABCVRRESA-N 1 2 339.480 2.256 20 30 EEEDLO CC[C@H](C)c1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#CCOC)on1 ZINC001111112652 1208255897 /nfs/dbraw/zinc/25/58/97/1208255897.db2.gz XXQXNSITWKWWLM-ABFRBSLYSA-N 1 2 345.443 2.173 20 30 EEEDLO CC[C@H](C)c1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#CCOC)on1 ZINC001111112652 1208255900 /nfs/dbraw/zinc/25/59/00/1208255900.db2.gz XXQXNSITWKWWLM-ABFRBSLYSA-N 1 2 345.443 2.173 20 30 EEEDLO C=CCCCC(=O)N1C[C@H](C)[C@@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001111256338 1208481697 /nfs/dbraw/zinc/48/16/97/1208481697.db2.gz BNETWKJYGQSOJH-ZFWWWQNUSA-N 1 2 346.479 2.109 20 30 EEEDLO CN(CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccncc1C#N ZINC001095773422 1208505586 /nfs/dbraw/zinc/50/55/86/1208505586.db2.gz JQLJVVMTECKCNI-UHFFFAOYSA-N 1 2 334.383 2.086 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccn(C(C)C)n1)C2 ZINC001095791016 1208521167 /nfs/dbraw/zinc/52/11/67/1208521167.db2.gz UXGRTGYLIJPGPG-PMPSAXMXSA-N 1 2 336.867 2.481 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccn(C(C)C)n1)C2 ZINC001095791016 1208521169 /nfs/dbraw/zinc/52/11/69/1208521169.db2.gz UXGRTGYLIJPGPG-PMPSAXMXSA-N 1 2 336.867 2.481 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ncc(C)o3)[C@@H](C)C2)cn1 ZINC000947948132 1208789869 /nfs/dbraw/zinc/78/98/69/1208789869.db2.gz KVNSXJVAMITGBJ-SUMWQHHRSA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncc(C)o3)[C@@H](C)C2)cn1 ZINC000947948132 1208789870 /nfs/dbraw/zinc/78/98/70/1208789870.db2.gz KVNSXJVAMITGBJ-SUMWQHHRSA-N 1 2 338.411 2.142 20 30 EEEDLO C#CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1[nH]nc(C)c1C ZINC000948898662 1209443013 /nfs/dbraw/zinc/44/30/13/1209443013.db2.gz LDSASIPJGXRTSG-GOSISDBHSA-N 1 2 336.439 2.379 20 30 EEEDLO C#CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1[nH]nc(C)c1C ZINC000948898662 1209443014 /nfs/dbraw/zinc/44/30/14/1209443014.db2.gz LDSASIPJGXRTSG-GOSISDBHSA-N 1 2 336.439 2.379 20 30 EEEDLO C[C@H]1OCC[C@]1(C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000949448570 1209690946 /nfs/dbraw/zinc/69/09/46/1209690946.db2.gz XUXSIHVNMBEHIF-BEFAXECRSA-N 1 2 327.428 2.018 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)c3ccccc3F)CC2)C1 ZINC000949496158 1209714266 /nfs/dbraw/zinc/71/42/66/1209714266.db2.gz VGBAUMOLBCPPJB-INIZCTEOSA-N 1 2 344.430 2.256 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)c3ccccc3F)CC2)C1 ZINC000949496158 1209714268 /nfs/dbraw/zinc/71/42/68/1209714268.db2.gz VGBAUMOLBCPPJB-INIZCTEOSA-N 1 2 344.430 2.256 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(=O)NC(C)C)C2 ZINC001111294055 1209841686 /nfs/dbraw/zinc/84/16/86/1209841686.db2.gz GZHHFPMABWAIAT-KFWWJZLASA-N 1 2 341.883 2.155 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(=O)NC(C)C)C2 ZINC001111294055 1209841689 /nfs/dbraw/zinc/84/16/89/1209841689.db2.gz GZHHFPMABWAIAT-KFWWJZLASA-N 1 2 341.883 2.155 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000950133890 1210049530 /nfs/dbraw/zinc/04/95/30/1210049530.db2.gz JIEMIXSWJRVNPN-HNNXBMFYSA-N 1 2 340.427 2.186 20 30 EEEDLO C=C1CCC(C(=O)N(CC)C2C[NH+](Cc3ccn(C)c(=O)c3)C2)CC1 ZINC000951619172 1210921452 /nfs/dbraw/zinc/92/14/52/1210921452.db2.gz CSDXYCJHSHTOSH-UHFFFAOYSA-N 1 2 343.471 2.164 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccc(-c3ncon3)c2)C1 ZINC000951730499 1210999466 /nfs/dbraw/zinc/99/94/66/1210999466.db2.gz SHHAZXMGIPIUMJ-UHFFFAOYSA-N 1 2 326.400 2.459 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3nc(C)n(C)c3c2)C1 ZINC001015482671 1225315262 /nfs/dbraw/zinc/31/52/62/1225315262.db2.gz HERRYUSSNXQHST-CQSZACIVSA-N 1 2 332.835 2.438 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3nc(C)n(C)c3c2)C1 ZINC001015482671 1225315265 /nfs/dbraw/zinc/31/52/65/1225315265.db2.gz HERRYUSSNXQHST-CQSZACIVSA-N 1 2 332.835 2.438 20 30 EEEDLO 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ZINC001010739985 1223882171 /nfs/dbraw/zinc/88/21/71/1223882171.db2.gz MINSWRQICPZJEF-INIZCTEOSA-N 1 2 327.359 2.224 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001011145555 1224061986 /nfs/dbraw/zinc/06/19/86/1224061986.db2.gz TTXCQTIPXGNTKQ-QAPCUYQASA-N 1 2 332.448 2.107 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cnn(C2CCC2)c1 ZINC001014441374 1226621510 /nfs/dbraw/zinc/62/15/10/1226621510.db2.gz QOMFMCRZBCNIKG-LJQANCHMSA-N 1 2 348.450 2.464 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cnn(C2CCC2)c1 ZINC001014441374 1226621516 /nfs/dbraw/zinc/62/15/16/1226621516.db2.gz QOMFMCRZBCNIKG-LJQANCHMSA-N 1 2 348.450 2.464 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC2CCCC2)C1=O ZINC001017312722 1227323994 /nfs/dbraw/zinc/32/39/94/1227323994.db2.gz RDBQACBPTZGKLQ-KSZLIROESA-N 1 2 345.487 2.029 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC2CCCC2)C1=O ZINC001017312722 1227324000 /nfs/dbraw/zinc/32/40/00/1227324000.db2.gz RDBQACBPTZGKLQ-KSZLIROESA-N 1 2 345.487 2.029 20 30 EEEDLO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c[nH]1 ZINC001017450046 1227429823 /nfs/dbraw/zinc/42/98/23/1227429823.db2.gz BIWWUGTYPUUOIQ-OKILXGFUSA-N 1 2 341.440 2.140 20 30 EEEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c[nH]1 ZINC001017450046 1227429825 /nfs/dbraw/zinc/42/98/25/1227429825.db2.gz BIWWUGTYPUUOIQ-OKILXGFUSA-N 1 2 341.440 2.140 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(C)(C)C)nn1C ZINC001017882086 1227818324 /nfs/dbraw/zinc/81/83/24/1227818324.db2.gz FVYWCFUFQDRAAM-GASCZTMLSA-N 1 2 328.460 2.030 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(C)(C)C)nn1C ZINC001017882086 1227818332 /nfs/dbraw/zinc/81/83/32/1227818332.db2.gz FVYWCFUFQDRAAM-GASCZTMLSA-N 1 2 328.460 2.030 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]([NH2+]Cc2csnn2)[C@@H](C)C1 ZINC001054677894 1248849062 /nfs/dbraw/zinc/84/90/62/1248849062.db2.gz GDMDLMWKSQZHRG-CABZTGNLSA-N 1 2 328.869 2.253 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)s1 ZINC001018878424 1228481079 /nfs/dbraw/zinc/48/10/79/1228481079.db2.gz NFZWZVBNMWXGQC-KWQFWETISA-N 1 2 335.326 2.211 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)s1 ZINC001018878424 1228481083 /nfs/dbraw/zinc/48/10/83/1228481083.db2.gz NFZWZVBNMWXGQC-KWQFWETISA-N 1 2 335.326 2.211 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([NH2+]Cc2nc(CCC)no2)C1 ZINC001018972596 1228594861 /nfs/dbraw/zinc/59/48/61/1228594861.db2.gz DXVQXFBAQKAIQU-AWEZNQCLSA-N 1 2 343.431 2.014 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001019120863 1228764346 /nfs/dbraw/zinc/76/43/46/1228764346.db2.gz UPWUMNBOGFGVKC-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001019120863 1228764349 /nfs/dbraw/zinc/76/43/49/1228764349.db2.gz UPWUMNBOGFGVKC-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO CC(C)n1nccc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038302560 1229731645 /nfs/dbraw/zinc/73/16/45/1229731645.db2.gz YMZPWUNZMKEGJE-KRWDZBQOSA-N 1 2 337.427 2.340 20 30 EEEDLO CC(C)n1nccc1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038302560 1229731649 /nfs/dbraw/zinc/73/16/49/1229731649.db2.gz YMZPWUNZMKEGJE-KRWDZBQOSA-N 1 2 337.427 2.340 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc3n(n2)CCCC3)c1 ZINC001038382659 1229781627 /nfs/dbraw/zinc/78/16/27/1229781627.db2.gz NMHYFDAXUUUXBB-SFHVURJKSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc3n(n2)CCCC3)c1 ZINC001038382659 1229781631 /nfs/dbraw/zinc/78/16/31/1229781631.db2.gz NMHYFDAXUUUXBB-SFHVURJKSA-N 1 2 349.438 2.095 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cnc(C)o1 ZINC001038800964 1230066609 /nfs/dbraw/zinc/06/66/09/1230066609.db2.gz WJSOKFRRLBEXDQ-XIRDDKMYSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cnc(C)o1 ZINC001038800964 1230066611 /nfs/dbraw/zinc/06/66/11/1230066611.db2.gz WJSOKFRRLBEXDQ-XIRDDKMYSA-N 1 2 333.432 2.045 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)c1[nH]nc2ccccc21 ZINC001038979391 1230209554 /nfs/dbraw/zinc/20/95/54/1230209554.db2.gz MQRVBTRRPSLPRA-QGZVFWFLSA-N 1 2 344.418 2.419 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)c1[nH]nc2ccccc21 ZINC001038979391 1230209557 /nfs/dbraw/zinc/20/95/57/1230209557.db2.gz MQRVBTRRPSLPRA-QGZVFWFLSA-N 1 2 344.418 2.419 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)c1CC ZINC001039399537 1230582511 /nfs/dbraw/zinc/58/25/11/1230582511.db2.gz FCYJRIDPNMTIQF-KGLIPLIRSA-N 1 2 336.867 2.414 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(C)c1CC ZINC001039399537 1230582512 /nfs/dbraw/zinc/58/25/12/1230582512.db2.gz FCYJRIDPNMTIQF-KGLIPLIRSA-N 1 2 336.867 2.414 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccnc(OC)c1 ZINC001039437423 1230609542 /nfs/dbraw/zinc/60/95/42/1230609542.db2.gz KHAXQQFBJFCOJK-CVEARBPZSA-N 1 2 349.862 2.451 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccnc(OC)c1 ZINC001039437423 1230609547 /nfs/dbraw/zinc/60/95/47/1230609547.db2.gz KHAXQQFBJFCOJK-CVEARBPZSA-N 1 2 349.862 2.451 20 30 EEEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001039445486 1230613949 /nfs/dbraw/zinc/61/39/49/1230613949.db2.gz VHIRQQPZNBGHMH-SJORKVTESA-N 1 2 334.423 2.389 20 30 EEEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001039445486 1230613951 /nfs/dbraw/zinc/61/39/51/1230613951.db2.gz VHIRQQPZNBGHMH-SJORKVTESA-N 1 2 334.423 2.389 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001067300082 1230674669 /nfs/dbraw/zinc/67/46/69/1230674669.db2.gz YKZJSQCUTWXLFU-CABCVRRESA-N 1 2 334.464 2.107 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@H]2CCN(C)C2=O)CC1 ZINC001039887336 1230887831 /nfs/dbraw/zinc/88/78/31/1230887831.db2.gz CRTJXVKREZHHNR-KSZLIROESA-N 1 2 345.487 2.029 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@H]2CCN(C)C2=O)CC1 ZINC001039887336 1230887832 /nfs/dbraw/zinc/88/78/32/1230887832.db2.gz CRTJXVKREZHHNR-KSZLIROESA-N 1 2 345.487 2.029 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1nncn1C)C2 ZINC001040370759 1231190681 /nfs/dbraw/zinc/19/06/81/1231190681.db2.gz DHJSXPDNCZMJFN-MOPGFXCFSA-N 1 2 345.491 2.232 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1nncn1C)C2 ZINC001040370759 1231190686 /nfs/dbraw/zinc/19/06/86/1231190686.db2.gz DHJSXPDNCZMJFN-MOPGFXCFSA-N 1 2 345.491 2.232 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(CC[N@H+](Cc3nnc(C)[nH]3)C2)C1 ZINC001041638127 1231633267 /nfs/dbraw/zinc/63/32/67/1231633267.db2.gz IIWWLQPMPBJTQQ-QZTJIDSGSA-N 1 2 331.464 2.140 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3nnc(C)[nH]3)C2)C1 ZINC001041638127 1231633268 /nfs/dbraw/zinc/63/32/68/1231633268.db2.gz IIWWLQPMPBJTQQ-QZTJIDSGSA-N 1 2 331.464 2.140 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@]3(CC[N@@H+]([C@H](C)c4nnc(C)[nH]4)C3)C2)C1 ZINC001041657870 1231640201 /nfs/dbraw/zinc/64/02/01/1231640201.db2.gz UEIRIJFIHQNAOY-KUHUBIRLSA-N 1 2 343.475 2.455 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@]3(CC[N@H+]([C@H](C)c4nnc(C)[nH]4)C3)C2)C1 ZINC001041657870 1231640202 /nfs/dbraw/zinc/64/02/02/1231640202.db2.gz UEIRIJFIHQNAOY-KUHUBIRLSA-N 1 2 343.475 2.455 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3coc(OCC)n3)C[C@@H]21 ZINC001042134767 1231910336 /nfs/dbraw/zinc/91/03/36/1231910336.db2.gz QJDHWGUZHZDWKE-JSGCOSHPSA-N 1 2 339.823 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3coc(OCC)n3)C[C@@H]21 ZINC001042134767 1231910338 /nfs/dbraw/zinc/91/03/38/1231910338.db2.gz QJDHWGUZHZDWKE-JSGCOSHPSA-N 1 2 339.823 2.362 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)C[C@H]2C)cc1 ZINC001067426383 1232348692 /nfs/dbraw/zinc/34/86/92/1232348692.db2.gz FWCUHNMZZICXGF-KDOFPFPSSA-N 1 2 334.423 2.411 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](Cc3ccc(CF)cc3)C2)c1 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C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001050920321 1244628626 /nfs/dbraw/zinc/62/86/26/1244628626.db2.gz FMXAKEAGEYGHPB-OTWHNJEPSA-N 1 2 344.455 2.300 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ncnc2ccsc21 ZINC001050947892 1244694530 /nfs/dbraw/zinc/69/45/30/1244694530.db2.gz CKRMYQZLDCUICV-ZDUSSCGKSA-N 1 2 346.456 2.088 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ncnc2ccsc21 ZINC001050947892 1244694542 /nfs/dbraw/zinc/69/45/42/1244694542.db2.gz CKRMYQZLDCUICV-ZDUSSCGKSA-N 1 2 346.456 2.088 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc2ccc(OC)cc2[nH]1 ZINC001051057183 1244921670 /nfs/dbraw/zinc/92/16/70/1244921670.db2.gz DMXHRXMSTMYCEK-HNNXBMFYSA-N 1 2 343.427 2.183 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc2ccc(OC)cc2[nH]1 ZINC001051057183 1244921684 /nfs/dbraw/zinc/92/16/84/1244921684.db2.gz DMXHRXMSTMYCEK-HNNXBMFYSA-N 1 2 343.427 2.183 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2ccccc2C1 ZINC001051137926 1245031681 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C=C(C)C(C)(C)C(=O)N1C[C@H](C)[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001053132184 1245959607 /nfs/dbraw/zinc/95/96/07/1245959607.db2.gz JWEYKNOQXBCAAR-JKSUJKDBSA-N 1 2 346.475 2.086 20 30 EEEDLO Cc1cccc([C@@H](C)[NH+]2CC3(C2)CN(C(=O)[C@@H](C)C#N)CCO3)c1 ZINC001053191018 1246030377 /nfs/dbraw/zinc/03/03/77/1246030377.db2.gz JIWMZECJONXBAE-JKSUJKDBSA-N 1 2 327.428 2.129 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc3c(o1)CCCC3)CCO2 ZINC001053284690 1246141456 /nfs/dbraw/zinc/14/14/56/1246141456.db2.gz DJVKSSFHEGFYGJ-UHFFFAOYSA-N 1 2 330.428 2.261 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnoc1-c1ccco1)CCO2 ZINC001053314625 1246175891 /nfs/dbraw/zinc/17/58/91/1246175891.db2.gz TURSTUUYHGFGSC-UHFFFAOYSA-N 1 2 343.383 2.038 20 30 EEEDLO CC(C)c1nsc(C[N@H+]2C[C@@H](CNC(=O)[C@@H](C)C#N)[C@H](C)C2)n1 ZINC001101827298 1246217357 /nfs/dbraw/zinc/21/73/57/1246217357.db2.gz YSUDJCSNQZDFTD-YNEHKIRRSA-N 1 2 335.477 2.005 20 30 EEEDLO CC(C)c1nsc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H](C)C#N)[C@H](C)C2)n1 ZINC001101827298 1246217364 /nfs/dbraw/zinc/21/73/64/1246217364.db2.gz YSUDJCSNQZDFTD-YNEHKIRRSA-N 1 2 335.477 2.005 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1cc3ccccc3o1)CCO2 ZINC001053365173 1246239020 /nfs/dbraw/zinc/23/90/20/1246239020.db2.gz OZTAIRGMGVAZFE-UHFFFAOYSA-N 1 2 340.423 2.465 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)CCC3CC3)C2)CC1 ZINC001051999525 1246359586 /nfs/dbraw/zinc/35/95/86/1246359586.db2.gz HNWBNSCMIVLVFT-INIZCTEOSA-N 1 2 325.884 2.148 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)C3CC(F)(F)C3)C2)CC1 ZINC001052010074 1246374124 /nfs/dbraw/zinc/37/41/24/1246374124.db2.gz RZWLLDDAKVRAEW-AWEZNQCLSA-N 1 2 347.837 2.003 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(COC)c(F)c1)CCO2 ZINC001053517637 1246422940 /nfs/dbraw/zinc/42/29/40/1246422940.db2.gz CFRFDOFDPXTWNQ-UHFFFAOYSA-N 1 2 348.418 2.075 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C[C@H](F)CC)CC2)C1 ZINC001052062465 1246433353 /nfs/dbraw/zinc/43/33/53/1246433353.db2.gz KCAKWKPBLHVIQX-HZPDHXFCSA-N 1 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C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc4[nH]ccc4s3)C2)CC1 ZINC001052113246 1246495527 /nfs/dbraw/zinc/49/55/27/1246495527.db2.gz QHSWSLNLMIISDH-AWEZNQCLSA-N 1 2 344.484 2.248 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn(C3CCC3)c1)O2 ZINC001053599691 1246512904 /nfs/dbraw/zinc/51/29/04/1246512904.db2.gz XHXHBYCZGASLAI-QGZVFWFLSA-N 1 2 344.459 2.147 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccnn1C1CCC1)O2 ZINC001053600643 1246514133 /nfs/dbraw/zinc/51/41/33/1246514133.db2.gz OBZYBMOAHFJQOY-MRXNPFEDSA-N 1 2 344.459 2.147 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)O2 ZINC001053604989 1246520705 /nfs/dbraw/zinc/52/07/05/1246520705.db2.gz UWIATDVDGAFRQZ-HNNXBMFYSA-N 1 2 346.475 2.177 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cncc(OC(C)C)c1)O2 ZINC001053636010 1246568188 /nfs/dbraw/zinc/56/81/88/1246568188.db2.gz SQKOQRVJPMZQLJ-INIZCTEOSA-N 1 2 345.443 2.018 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nccc3[nH]ccc31)O2 ZINC001053660813 1246605530 /nfs/dbraw/zinc/60/55/30/1246605530.db2.gz PVLKPVGNXPWNKG-CQSZACIVSA-N 1 2 340.427 2.102 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1occ3c1CCCC3)O2 ZINC001053689819 1246655987 /nfs/dbraw/zinc/65/59/87/1246655987.db2.gz CMHMOSNJKHCYEW-OAHLLOKOSA-N 1 2 330.428 2.308 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(C(C)(C)C)nc1C)CO2 ZINC001053799520 1246805331 /nfs/dbraw/zinc/80/53/31/1246805331.db2.gz XGHUMHVHTPOMFD-OAHLLOKOSA-N 1 2 346.475 2.096 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)[C@@H]1CCCCO1)CO2 ZINC001053803947 1246812836 /nfs/dbraw/zinc/81/28/36/1246812836.db2.gz HEXIEUXJPFRHAB-CVEARBPZSA-N 1 2 336.476 2.117 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(C(C)C)n1)CO2 ZINC001053859104 1246922176 /nfs/dbraw/zinc/92/21/76/1246922176.db2.gz ZUBZZALTNQQLGN-OAHLLOKOSA-N 1 2 329.444 2.354 20 30 EEEDLO C[C@H](CNC(=O)CCCn1cc[nH+]c1)Nc1ncc(C#N)cc1Cl ZINC001097911263 1246941812 /nfs/dbraw/zinc/94/18/12/1246941812.db2.gz IZFLLIHLIFDJGD-GFCCVEGCSA-N 1 2 346.822 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CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(Br)c2)C1 ZINC001236863818 1305702579 /nfs/dbraw/zinc/70/25/79/1305702579.db2.gz NWYJTUQCYIROKD-CQSZACIVSA-N 1 2 336.233 2.421 20 30 EEEDLO N#Cc1ccc(N2CCCC[C@]23CC(=O)N(CCn2cc[nH+]c2)C3)cc1 ZINC001278023515 1305713833 /nfs/dbraw/zinc/71/38/33/1305713833.db2.gz YXIGNXNWZGRWEN-HXUWFJFHSA-N 1 2 349.438 2.416 20 30 EEEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC001237426575 1305927519 /nfs/dbraw/zinc/92/75/19/1305927519.db2.gz HTKJKFGFCVSANE-UHFFFAOYSA-N 1 2 348.385 2.358 20 30 EEEDLO C#CC[NH+](CC#C)Cc1cc2c(nc(OC)cc2Br)[nH]1 ZINC001237942070 1306155530 /nfs/dbraw/zinc/15/55/30/1306155530.db2.gz QZZOZJASLQSHIH-UHFFFAOYSA-N 1 2 332.201 2.402 20 30 EEEDLO CCCCCCCCCCNC(=S)N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001239368131 1309090711 /nfs/dbraw/zinc/09/07/11/1309090711.db2.gz DIQYWKWMPHFULF-CABCVRRESA-N 1 2 343.537 2.495 20 30 EEEDLO Cc1cc(C#N)nc(-c2ccc(OCC[NH+]3CCOCC3)cc2F)n1 ZINC001244129806 1309912825 /nfs/dbraw/zinc/91/28/25/1309912825.db2.gz JLCOJWBPGOLPBO-UHFFFAOYSA-N 1 2 342.374 2.174 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CC=C(C)CC1 ZINC001121595485 1310063166 /nfs/dbraw/zinc/06/31/66/1310063166.db2.gz SNJADKTXYWXCBO-MRXNPFEDSA-N 1 2 331.464 2.402 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CC=C(C)CC1 ZINC001121595485 1310063177 /nfs/dbraw/zinc/06/31/77/1310063177.db2.gz SNJADKTXYWXCBO-MRXNPFEDSA-N 1 2 331.464 2.402 20 30 EEEDLO COC(=O)[C@@H]1C[C@H](NC2=C(c3ccccc3)C(=O)c3ccccc32)C[NH2+]1 ZINC001246228420 1310263033 /nfs/dbraw/zinc/26/30/33/1310263033.db2.gz IFZPTLNTVYVVDJ-YOEHRIQHSA-N 1 2 348.402 2.244 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)[C@@H]1C ZINC001123067352 1310463767 /nfs/dbraw/zinc/46/37/67/1310463767.db2.gz KPJLKYDLVBGLHB-GOEBONIOSA-N 1 2 343.475 2.222 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H](Nc2ncnc3c2C[N@@H+](C)CC3)[C@@H]1C ZINC001123067352 1310463775 /nfs/dbraw/zinc/46/37/75/1310463775.db2.gz KPJLKYDLVBGLHB-GOEBONIOSA-N 1 2 343.475 2.222 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@@H](Nc2[nH+]cnc3c2cnn3C)C[C@@H]1C ZINC001123290762 1310516467 /nfs/dbraw/zinc/51/64/67/1310516467.db2.gz RKONVAKJFQIOBP-STQMWFEESA-N 1 2 328.420 2.121 20 30 EEEDLO C=CCOCC(=O)N[C@@]12CCC[C@H]1N(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001123387735 1310544126 /nfs/dbraw/zinc/54/41/26/1310544126.db2.gz ZMKGBHHHHNSEBZ-VQIMIIECSA-N 1 2 344.459 2.222 20 30 EEEDLO C=CC(C)(C)C(=O)N(C)C[C@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001124683635 1310933616 /nfs/dbraw/zinc/93/36/16/1310933616.db2.gz LYRYAZLKAXEARW-CQSZACIVSA-N 1 2 346.475 2.107 20 30 EEEDLO C=CCCCC(=O)N(C)C[C@H](O)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001125237766 1314444239 /nfs/dbraw/zinc/44/42/39/1314444239.db2.gz VDFALEBKQHFNAT-MRXNPFEDSA-N 1 2 346.475 2.274 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1cc(C)ccc1O ZINC001140619842 1314915692 /nfs/dbraw/zinc/91/56/92/1314915692.db2.gz RINJOLSXLVOVPS-MRXNPFEDSA-N 1 2 328.416 2.131 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1cc(C)ccc1O ZINC001140619842 1314915694 /nfs/dbraw/zinc/91/56/94/1314915694.db2.gz RINJOLSXLVOVPS-MRXNPFEDSA-N 1 2 328.416 2.131 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc(CO)cc2)[C@@H](C#N)C1 ZINC000842895644 1315794370 /nfs/dbraw/zinc/79/43/70/1315794370.db2.gz OCNHUXJAFJTSDN-HOTGVXAUSA-N 1 2 331.416 2.028 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CC2CC(F)(F)C2)C1 ZINC001149921170 1316090966 /nfs/dbraw/zinc/09/09/66/1316090966.db2.gz JXRSJGULSBNAIN-CYBMUJFWSA-N 1 2 336.810 2.381 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CC2CC(F)(F)C2)C1 ZINC001149921170 1316090970 /nfs/dbraw/zinc/09/09/70/1316090970.db2.gz JXRSJGULSBNAIN-CYBMUJFWSA-N 1 2 336.810 2.381 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CC(C)(C)COC)C1 ZINC001150030993 1316132034 /nfs/dbraw/zinc/13/20/34/1316132034.db2.gz VXLMVKWPUQQTKY-CQSZACIVSA-N 1 2 332.872 2.009 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CC(C)(C)COC)C1 ZINC001150030993 1316132037 /nfs/dbraw/zinc/13/20/37/1316132037.db2.gz VXLMVKWPUQQTKY-CQSZACIVSA-N 1 2 332.872 2.009 20 30 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/nfs/dbraw/zinc/63/65/13/1317636513.db2.gz YEPFTWUGHZIQFN-SMDDNHRTSA-N 1 2 338.370 2.407 20 30 EEEDLO C=C[C@@](C)(O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001252558606 1317636518 /nfs/dbraw/zinc/63/65/18/1317636518.db2.gz YEPFTWUGHZIQFN-SMDDNHRTSA-N 1 2 338.370 2.407 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nc(C)cs2)cn1 ZINC001156460688 1318021617 /nfs/dbraw/zinc/02/16/17/1318021617.db2.gz SCAWAZPGRWJONN-CQSZACIVSA-N 1 2 342.468 2.468 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nc(C)cs2)cn1 ZINC001156460688 1318021621 /nfs/dbraw/zinc/02/16/21/1318021621.db2.gz SCAWAZPGRWJONN-CQSZACIVSA-N 1 2 342.468 2.468 20 30 EEEDLO CC[N@H+](Cc1ncccn1)[C@H](C)CNC(=O)CC#Cc1ccccc1 ZINC001157074966 1318386493 /nfs/dbraw/zinc/38/64/93/1318386493.db2.gz MGMNKTZXNXDGQC-QGZVFWFLSA-N 1 2 336.439 2.245 20 30 EEEDLO CC[N@@H+](Cc1ncccn1)[C@H](C)CNC(=O)CC#Cc1ccccc1 ZINC001157074966 1318386505 /nfs/dbraw/zinc/38/65/05/1318386505.db2.gz MGMNKTZXNXDGQC-QGZVFWFLSA-N 1 2 336.439 2.245 20 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1318950944 /nfs/dbraw/zinc/95/09/44/1318950944.db2.gz XEUNXXAILOOETH-MRXNPFEDSA-N 1 2 328.460 2.339 20 30 EEEDLO C=C[C@H]1C[C@]1([NH2+]C1CCN(C(=O)c2ccccc2)CC1)C(=O)OCC ZINC001258637867 1319315277 /nfs/dbraw/zinc/31/52/77/1319315277.db2.gz HZEOXJYGWZJLJF-OXJNMPFZSA-N 1 2 342.439 2.389 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)cn1 ZINC001158966609 1319536069 /nfs/dbraw/zinc/53/60/69/1319536069.db2.gz NLSGDINXOYIPGM-DLBZAZTESA-N 1 2 346.475 2.189 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)cn1 ZINC001158966609 1319536072 /nfs/dbraw/zinc/53/60/72/1319536072.db2.gz NLSGDINXOYIPGM-DLBZAZTESA-N 1 2 346.475 2.189 20 30 EEEDLO Cc1nnc([C@H](C)[N@@H+]2CC=C(CCNC(=O)[C@@H](C)C#N)CC2)s1 ZINC001159586902 1319901788 /nfs/dbraw/zinc/90/17/88/1319901788.db2.gz DVEKJQNYZNRVLG-RYUDHWBXSA-N 1 2 333.461 2.206 20 30 EEEDLO Cc1nnc([C@H](C)[N@H+]2CC=C(CCNC(=O)[C@@H](C)C#N)CC2)s1 ZINC001159586902 1319901793 /nfs/dbraw/zinc/90/17/93/1319901793.db2.gz 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ZINC001265287961 1323040036 /nfs/dbraw/zinc/04/00/36/1323040036.db2.gz KYFCUQFSXHBXFY-AWEZNQCLSA-N 1 2 344.386 2.334 20 30 EEEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(OCC#N)cn1 ZINC001206502859 1323514342 /nfs/dbraw/zinc/51/43/42/1323514342.db2.gz NCRHVEYAWVKAJE-UHFFFAOYSA-N 1 2 339.395 2.492 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1CCc1ccccc1OC ZINC001207453428 1323978300 /nfs/dbraw/zinc/97/83/00/1323978300.db2.gz HALZBOUEKQJADA-QGZVFWFLSA-N 1 2 342.443 2.168 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1CCc1ccccc1OC ZINC001207453428 1323978304 /nfs/dbraw/zinc/97/83/04/1323978304.db2.gz HALZBOUEKQJADA-QGZVFWFLSA-N 1 2 342.443 2.168 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC001207654081 1324071208 /nfs/dbraw/zinc/07/12/08/1324071208.db2.gz NTVUTUADCMYVTA-MRXNPFEDSA-N 1 2 339.443 2.314 20 30 EEEDLO CC(C)C#CC(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC001208005655 1324260203 /nfs/dbraw/zinc/26/02/03/1324260203.db2.gz LVCVQUTUTDPAQK-INIZCTEOSA-N 1 2 344.459 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ZINC001316605215 1324372387 /nfs/dbraw/zinc/37/23/87/1324372387.db2.gz IVXXBGZUFQPFHV-INIZCTEOSA-N 1 2 332.448 2.183 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc3n(n2)CCCC3)C[C@H]1C ZINC001208315132 1324416328 /nfs/dbraw/zinc/41/63/28/1324416328.db2.gz LSTMETJLPOWERE-RHSMWYFYSA-N 1 2 330.476 2.368 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc3n(n2)CCCC3)C[C@H]1C ZINC001208315132 1324416333 /nfs/dbraw/zinc/41/63/33/1324416333.db2.gz LSTMETJLPOWERE-RHSMWYFYSA-N 1 2 330.476 2.368 20 30 EEEDLO COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001316611406 1325165485 /nfs/dbraw/zinc/16/54/85/1325165485.db2.gz QZHJNGPQAPIXEH-GBESFXJTSA-N 1 2 344.430 2.112 20 30 EEEDLO COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001316611406 1325165494 /nfs/dbraw/zinc/16/54/94/1325165494.db2.gz QZHJNGPQAPIXEH-GBESFXJTSA-N 1 2 344.430 2.112 20 30 EEEDLO Cn1ncc2c1nc(N[NH+]=Cc1ccccc1N1CCCC1)[nH]c2=O ZINC001319472767 1332707858 /nfs/dbraw/zinc/70/78/58/1332707858.db2.gz WTBWDTWXVMLBGO-UHFFFAOYSA-N 1 2 337.387 2.115 20 30 EEEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC001609052538 1351825118 /nfs/dbraw/zinc/82/51/18/1351825118.db2.gz GPLSKEGWIAIPON-GFCCVEGCSA-N 1 2 330.392 2.056 20 30 EEEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC001609052538 1351825122 /nfs/dbraw/zinc/82/51/22/1351825122.db2.gz GPLSKEGWIAIPON-GFCCVEGCSA-N 1 2 330.392 2.056 20 30 EEEDLO Cc1cc(C[N@@H+]2CCCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)no1 ZINC001327353753 1334274684 /nfs/dbraw/zinc/27/46/84/1334274684.db2.gz LLYPLZPMSRHTTR-UHFFFAOYSA-N 1 2 341.371 2.475 20 30 EEEDLO Cc1cc(C[N@H+]2CCCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)no1 ZINC001327353753 1334274688 /nfs/dbraw/zinc/27/46/88/1334274688.db2.gz LLYPLZPMSRHTTR-UHFFFAOYSA-N 1 2 341.371 2.475 20 30 EEEDLO Cc1cc(-c2nn[nH]n2)ccc1CO[NH+]=C(N)c1ccc(F)cc1 ZINC001609388493 1351956376 /nfs/dbraw/zinc/95/63/76/1351956376.db2.gz RINDRPOMDLSXKX-UHFFFAOYSA-N 1 2 326.335 2.151 20 30 EEEDLO C=CC[C@@H]([NH2+]CC1(C)CCN(C(=O)OCC)CC1)C(=O)OCC ZINC001331727803 1335064415 /nfs/dbraw/zinc/06/44/15/1335064415.db2.gz IRUULTOCPXLJMN-CQSZACIVSA-N 1 2 326.437 2.342 20 30 EEEDLO C=CCN(c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1CC=C)C1CC1 ZINC001338852478 1336920109 /nfs/dbraw/zinc/92/01/09/1336920109.db2.gz XDJQAKMURJICJQ-INIZCTEOSA-N 1 2 331.464 2.401 20 30 EEEDLO C=CCN(c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1CC=C)C1CC1 ZINC001338852478 1336920113 /nfs/dbraw/zinc/92/01/13/1336920113.db2.gz XDJQAKMURJICJQ-INIZCTEOSA-N 1 2 331.464 2.401 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccns3)C[C@H]2O)CCCC1 ZINC001100145513 1338068764 /nfs/dbraw/zinc/06/87/64/1338068764.db2.gz LWVZMCOPCADFGW-HZPDHXFCSA-N 1 2 349.500 2.331 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccns3)C[C@H]2O)CCCC1 ZINC001100145513 1338068766 /nfs/dbraw/zinc/06/87/66/1338068766.db2.gz LWVZMCOPCADFGW-HZPDHXFCSA-N 1 2 349.500 2.331 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@@H](CF)C1 ZINC001355877276 1338762571 /nfs/dbraw/zinc/76/25/71/1338762571.db2.gz SQZHOQNUYGEZHY-XHSDSOJGSA-N 1 2 349.454 2.186 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CC[C@@H](CF)C1 ZINC001355877276 1338762572 /nfs/dbraw/zinc/76/25/72/1338762572.db2.gz SQZHOQNUYGEZHY-XHSDSOJGSA-N 1 2 349.454 2.186 20 30 EEEDLO CC(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)C[C@@H](C)C#N ZINC001649182579 1352367067 /nfs/dbraw/zinc/36/70/67/1352367067.db2.gz VABRADHRFBMDFF-HOTGVXAUSA-N 1 2 348.495 2.312 20 30 EEEDLO CC(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)C[C@@H](C)C#N ZINC001649182579 1352367068 /nfs/dbraw/zinc/36/70/68/1352367068.db2.gz VABRADHRFBMDFF-HOTGVXAUSA-N 1 2 348.495 2.312 20 30 EEEDLO O=C(C(F)C(F)(F)F)N1CC[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001662496812 1354801989 /nfs/dbraw/zinc/80/19/89/1354801989.db2.gz YVYYYWVMKIHRCJ-UONOGXRCSA-N 1 2 346.299 2.268 20 30 EEEDLO O=C([C@@H](F)C(F)(F)F)N1CC[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001662496812 1354801994 /nfs/dbraw/zinc/80/19/94/1354801994.db2.gz YVYYYWVMKIHRCJ-UONOGXRCSA-N 1 2 346.299 2.268 20 30 EEEDLO CCCCCCCCS(=O)(=O)NCC1CC[NH+](C2COC2)CC1 ZINC001188027170 1368277454 /nfs/dbraw/zinc/27/74/54/1368277454.db2.gz CODVQTGBYFXLHL-UHFFFAOYSA-N 1 2 346.537 2.377 20 30 EEEDLO Cc1cc(C(=O)N2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)cs1 ZINC001273578396 1368347224 /nfs/dbraw/zinc/34/72/24/1368347224.db2.gz DBHPYZCILDBFOD-UHFFFAOYSA-N 1 2 340.452 2.225 20 30 EEEDLO C=C(C)CN1CC2(C[NH+](Cc3cccc4c3CCC4)C2)OCC1=O ZINC001273588894 1368383108 /nfs/dbraw/zinc/38/31/08/1368383108.db2.gz DHYFXAVIPBZXES-UHFFFAOYSA-N 1 2 326.440 2.165 20 30 EEEDLO CCOC(=O)[C@@]1(C(C)C)CC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000853524346 1369344853 /nfs/dbraw/zinc/34/48/53/1369344853.db2.gz LXXVUQBIOLOONZ-QAPCUYQASA-N 1 2 335.448 2.007 20 30 EEEDLO CCOC(=O)[C@@]1(C(C)C)CC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1 ZINC000853524346 1369344861 /nfs/dbraw/zinc/34/48/61/1369344861.db2.gz LXXVUQBIOLOONZ-QAPCUYQASA-N 1 2 335.448 2.007 20 30 EEEDLO N#CC[C@@H]1CCC[N@@H+](CN2C(=O)C[C@@]3(CCc4ccccc43)C2=O)C1 ZINC000853523421 1369345551 /nfs/dbraw/zinc/34/55/51/1369345551.db2.gz CZYGQPBGPREGFX-MGPUTAFESA-N 1 2 337.423 2.213 20 30 EEEDLO N#CC[C@@H]1CCC[N@H+](CN2C(=O)C[C@@]3(CCc4ccccc43)C2=O)C1 ZINC000853523421 1369345560 /nfs/dbraw/zinc/34/55/60/1369345560.db2.gz CZYGQPBGPREGFX-MGPUTAFESA-N 1 2 337.423 2.213 20 30 EEEDLO CCC1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@H](CC#N)C1)C2=O ZINC000853525655 1369346394 /nfs/dbraw/zinc/34/63/94/1369346394.db2.gz HVTLRWIWXOETRR-SWKXRBFHSA-N 1 2 332.448 2.460 20 30 EEEDLO CCC1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@H](CC#N)C1)C2=O ZINC000853525655 1369346398 /nfs/dbraw/zinc/34/63/98/1369346398.db2.gz HVTLRWIWXOETRR-SWKXRBFHSA-N 1 2 332.448 2.460 20 30 EEEDLO C#CCCCOc1cccnc1N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000853613973 1369358668 /nfs/dbraw/zinc/35/86/68/1369358668.db2.gz PPCKQOKGHUQWCF-IRXDYDNUSA-N 1 2 329.444 2.173 20 30 EEEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C2(CCC2)[C@H]1c1cccnc1 ZINC000853621302 1369359471 /nfs/dbraw/zinc/35/94/71/1369359471.db2.gz XSVLWWJYYYYZDE-QGZVFWFLSA-N 1 2 327.428 2.064 20 30 EEEDLO C#CCC[N@H+](CCOC)CN1C(=O)C2(CCC2)[C@H]1c1cccnc1 ZINC000853621302 1369359476 /nfs/dbraw/zinc/35/94/76/1369359476.db2.gz XSVLWWJYYYYZDE-QGZVFWFLSA-N 1 2 327.428 2.064 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001069509812 1370162222 /nfs/dbraw/zinc/16/22/22/1370162222.db2.gz CPRRCSUOMDTNPV-QWHCGFSZSA-N 1 2 341.390 2.360 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001073395689 1370850340 /nfs/dbraw/zinc/85/03/40/1370850340.db2.gz ZDAAPQDSUGPSJG-HNNXBMFYSA-N 1 2 346.475 2.229 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)CNc3ccc(C#N)nc3)ccn12 ZINC001104086172 1371125895 /nfs/dbraw/zinc/12/58/95/1371125895.db2.gz AEAYZZAXDXBDFO-ZDUSSCGKSA-N 1 2 348.410 2.387 20 30 EEEDLO Cc1nc(NC[C@H](C)CNC(=O)c2cccc3[nH+]ccn32)ccc1C#N ZINC001104138338 1371138551 /nfs/dbraw/zinc/13/85/51/1371138551.db2.gz QGKWJRXMFJIRJA-ZDUSSCGKSA-N 1 2 348.410 2.387 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCCC)C1 ZINC001111640853 1371192036 /nfs/dbraw/zinc/19/20/36/1371192036.db2.gz YKVFORPGGCDHCO-ZFWWWQNUSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCCC)C1 ZINC001111640853 1371192042 /nfs/dbraw/zinc/19/20/42/1371192042.db2.gz YKVFORPGGCDHCO-ZFWWWQNUSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C[C@H](COC)NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001116620067 1371730584 /nfs/dbraw/zinc/73/05/84/1371730584.db2.gz DDYDZOLJVHPHHX-RUJXFNLJSA-N 1 2 329.444 2.228 20 30 EEEDLO C#C[C@@H](C)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC=C ZINC001121684496 1371913747 /nfs/dbraw/zinc/91/37/47/1371913747.db2.gz LINYMSGIFAGEMA-OAHLLOKOSA-N 1 2 326.448 2.015 20 30 EEEDLO Cc1c2ccccc2[nH]c1C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001138401137 1372391813 /nfs/dbraw/zinc/39/18/13/1372391813.db2.gz BSRWOAXYXTZJMY-UHFFFAOYSA-N 1 2 332.411 2.460 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC(C)C ZINC001342724891 1372950832 /nfs/dbraw/zinc/95/08/32/1372950832.db2.gz QEKLVCNMLGXYKG-GVDBMIGSSA-N 1 2 345.491 2.318 20 30 EEEDLO C#C[C@H](C)N(C)c1nnc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC(C)C ZINC001342724891 1372950835 /nfs/dbraw/zinc/95/08/35/1372950835.db2.gz QEKLVCNMLGXYKG-GVDBMIGSSA-N 1 2 345.491 2.318 20 30 EEEDLO CCCCc1noc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)c2cc(C#N)c[nH]2)n1 ZINC001367669264 1374226368 /nfs/dbraw/zinc/22/63/68/1374226368.db2.gz RHKXSPPZUJZNKQ-VXGBXAGGSA-N 1 2 344.419 2.081 20 30 EEEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1cc(C)nn1C ZINC001372680152 1376136108 /nfs/dbraw/zinc/13/61/08/1376136108.db2.gz OWABYYHGNDJIKL-UHFFFAOYSA-N 1 2 343.269 2.079 20 30 EEEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1cc(C)nn1C ZINC001372680152 1376136111 /nfs/dbraw/zinc/13/61/11/1376136111.db2.gz OWABYYHGNDJIKL-UHFFFAOYSA-N 1 2 343.269 2.079 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC001374539072 1376917135 /nfs/dbraw/zinc/91/71/35/1376917135.db2.gz FHNCNBZLNKMIBA-OAHLLOKOSA-N 1 2 326.799 2.272 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC001374539072 1376917146 /nfs/dbraw/zinc/91/71/46/1376917146.db2.gz FHNCNBZLNKMIBA-OAHLLOKOSA-N 1 2 326.799 2.272 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1nocc1C ZINC001377688228 1379443492 /nfs/dbraw/zinc/44/34/92/1379443492.db2.gz OTEMTEISDDSWPF-LBPRGKRZSA-N 1 2 342.237 2.428 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1nocc1C ZINC001377688228 1379443495 /nfs/dbraw/zinc/44/34/95/1379443495.db2.gz OTEMTEISDDSWPF-LBPRGKRZSA-N 1 2 342.237 2.428 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1n[nH]c(=O)c2ccccc21 ZINC001378185203 1379766757 /nfs/dbraw/zinc/76/67/57/1379766757.db2.gz AYHIWMKWUPHTIL-LLVKDONJSA-N 1 2 334.807 2.138 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1n[nH]c(=O)c2ccccc21 ZINC001378185203 1379766762 /nfs/dbraw/zinc/76/67/62/1379766762.db2.gz AYHIWMKWUPHTIL-LLVKDONJSA-N 1 2 334.807 2.138 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(Cn2cccn2)o1 ZINC001381525531 1381637138 /nfs/dbraw/zinc/63/71/38/1381637138.db2.gz PHWRQUQGSFLBFP-ZDUSSCGKSA-N 1 2 336.823 2.327 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(Cn2cccn2)o1 ZINC001381525531 1381637140 /nfs/dbraw/zinc/63/71/40/1381637140.db2.gz PHWRQUQGSFLBFP-ZDUSSCGKSA-N 1 2 336.823 2.327 20 30 EEEDLO C#CCCCCCC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC001752395737 1406295861 /nfs/dbraw/zinc/29/58/61/1406295861.db2.gz YQSCJSHZTUJNKE-SFHVURJKSA-N 1 2 347.503 2.210 20 30 EEEDLO C#CCCCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC001752395737 1406295865 /nfs/dbraw/zinc/29/58/65/1406295865.db2.gz YQSCJSHZTUJNKE-SFHVURJKSA-N 1 2 347.503 2.210 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001391356937 1389306595 /nfs/dbraw/zinc/30/65/95/1389306595.db2.gz PULORNWUKFWKKJ-LBPRGKRZSA-N 1 2 333.823 2.104 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001391356937 1389306601 /nfs/dbraw/zinc/30/66/01/1389306601.db2.gz PULORNWUKFWKKJ-LBPRGKRZSA-N 1 2 333.823 2.104 20 30 EEEDLO CC(C)C#CC(=O)NC[C@H]1CCC[N@H+](Cc2nc(CC3CC3)no2)C1 ZINC001752781356 1406396676 /nfs/dbraw/zinc/39/66/76/1406396676.db2.gz PVLNXZBKRKEPGM-MRXNPFEDSA-N 1 2 344.459 2.010 20 30 EEEDLO CC(C)C#CC(=O)NC[C@H]1CCC[N@@H+](Cc2nc(CC3CC3)no2)C1 ZINC001752781356 1406396683 /nfs/dbraw/zinc/39/66/83/1406396683.db2.gz PVLNXZBKRKEPGM-MRXNPFEDSA-N 1 2 344.459 2.010 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1ccnc(C)n1 ZINC001393639318 1390506690 /nfs/dbraw/zinc/50/66/90/1390506690.db2.gz FKIFLNBBCADMTH-UHFFFAOYSA-N 1 2 341.253 2.088 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1ccnc(C)n1 ZINC001393639318 1390506693 /nfs/dbraw/zinc/50/66/93/1390506693.db2.gz FKIFLNBBCADMTH-UHFFFAOYSA-N 1 2 341.253 2.088 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1nnc2ccccc2c1O ZINC001394113445 1390618006 /nfs/dbraw/zinc/61/80/06/1390618006.db2.gz ODLJIEBKALTMPU-LLVKDONJSA-N 1 2 334.807 2.138 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1nnc2ccccc2c1O ZINC001394113445 1390618010 /nfs/dbraw/zinc/61/80/10/1390618010.db2.gz ODLJIEBKALTMPU-LLVKDONJSA-N 1 2 334.807 2.138 20 30 EEEDLO CC(C)OCC(=O)N[C@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001394228985 1390656219 /nfs/dbraw/zinc/65/62/19/1390656219.db2.gz NWKTVVFQWDOYRE-CYBMUJFWSA-N 1 2 333.407 2.059 20 30 EEEDLO COc1cc[nH+]cc1Cn1c(C)nnc1N1CCC(C)(C#N)CC1 ZINC001396097861 1390904491 /nfs/dbraw/zinc/90/44/91/1390904491.db2.gz IBCRHDHMWWBUPT-UHFFFAOYSA-N 1 2 326.404 2.169 20 30 EEEDLO CCN(C(=O)C#CC1CC1)[C@@H]1CC[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001753456321 1406752351 /nfs/dbraw/zinc/75/23/51/1406752351.db2.gz UFOAKIBGDPPRAL-LJQANCHMSA-N 1 2 340.471 2.056 20 30 EEEDLO CCN(C(=O)C#CC1CC1)[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001753456321 1406752352 /nfs/dbraw/zinc/75/23/52/1406752352.db2.gz UFOAKIBGDPPRAL-LJQANCHMSA-N 1 2 340.471 2.056 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccsc1 ZINC001754472165 1406915759 /nfs/dbraw/zinc/91/57/59/1406915759.db2.gz LDYYVEZUNYLIOW-GDBMZVCRSA-N 1 2 349.500 2.365 20 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ZINC001755076027 1407087700 /nfs/dbraw/zinc/08/77/00/1407087700.db2.gz RQDFTBXYYYTASK-PZJWPPBQSA-N 1 2 340.467 2.392 20 30 EEEDLO C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2cccc3[nH]cnc32)CCO1 ZINC001422854375 1400229563 /nfs/dbraw/zinc/22/95/63/1400229563.db2.gz KZOTUACRTUCHAH-WFASDCNBSA-N 1 2 348.834 2.135 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@](CO)([NH2+]Cc2coc(C)n2)C1 ZINC001755087575 1407101066 /nfs/dbraw/zinc/10/10/66/1407101066.db2.gz FOAHYCGNEHDREX-ROUUACIJSA-N 1 2 335.448 2.028 20 30 EEEDLO C=C(Cl)CN1CCc2ccccc2[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001424729539 1401242506 /nfs/dbraw/zinc/24/25/06/1401242506.db2.gz IEFCCSGPPUOTBP-KRWDZBQOSA-N 1 2 344.846 2.420 20 30 EEEDLO COCC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CC(C)C1 ZINC001755172074 1407184379 /nfs/dbraw/zinc/18/43/79/1407184379.db2.gz JRTYJWUCGORGJA-NLPFYKDJSA-N 1 2 340.467 2.398 20 30 EEEDLO COCC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CC(C)C1 ZINC001755172074 1407184384 /nfs/dbraw/zinc/18/43/84/1407184384.db2.gz 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/nfs/dbraw/zinc/08/84/53/783088453.db2.gz ZAKSIMQAFUZLTN-OAHLLOKOSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](OCC2CCN(C(C)=O)CC2)C1 ZINC001088225880 783087742 /nfs/dbraw/zinc/08/77/42/783087742.db2.gz ZAKSIMQAFUZLTN-HNNXBMFYSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](OCC2CCN(C(C)=O)CC2)C1 ZINC001088225880 783087749 /nfs/dbraw/zinc/08/77/49/783087749.db2.gz ZAKSIMQAFUZLTN-HNNXBMFYSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cccc(NC(=O)CC)c2)C1 ZINC001031713353 773573883 /nfs/dbraw/zinc/57/38/83/773573883.db2.gz VHUBYTMJJWZXAJ-UHFFFAOYSA-N 1 2 335.835 2.449 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1CNC(=O)c1cc[nH]c1 ZINC001027900236 774166664 /nfs/dbraw/zinc/16/66/64/774166664.db2.gz YZSRRHFZNGOQJL-KRWDZBQOSA-N 1 2 326.375 2.420 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1CNC(=O)c1cc[nH]c1 ZINC001027900236 774166665 /nfs/dbraw/zinc/16/66/65/774166665.db2.gz YZSRRHFZNGOQJL-KRWDZBQOSA-N 1 2 326.375 2.420 20 30 EEEDLO C=CCCC(=O)NCCN(CCOC)c1cc(C)[nH+]c(C(C)C)n1 ZINC001126279813 774498952 /nfs/dbraw/zinc/49/89/52/774498952.db2.gz CKYRBXGSDOKDBT-UHFFFAOYSA-N 1 2 334.464 2.444 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@H+]1Cc1coc(C)n1 ZINC001027936748 774696851 /nfs/dbraw/zinc/69/68/51/774696851.db2.gz LRNOPGYNYRPFPY-MRXNPFEDSA-N 1 2 328.416 2.365 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1coc(C)n1 ZINC001027936748 774696857 /nfs/dbraw/zinc/69/68/57/774696857.db2.gz LRNOPGYNYRPFPY-MRXNPFEDSA-N 1 2 328.416 2.365 20 30 EEEDLO C=C1CCC(C(=O)NC2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000980518467 774819367 /nfs/dbraw/zinc/81/93/67/774819367.db2.gz XPVYZOMVBSDZBZ-UHFFFAOYSA-N 1 2 344.459 2.242 20 30 EEEDLO CCN(c1ccncc1C#N)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089770037 774994487 /nfs/dbraw/zinc/99/44/87/774994487.db2.gz KSIPRBZXVGBKNA-CYBMUJFWSA-N 1 2 348.410 2.474 20 30 EEEDLO CS[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000980734974 775334229 /nfs/dbraw/zinc/33/42/29/775334229.db2.gz QYJPAIMMBCUMFG-CYBMUJFWSA-N 1 2 335.448 2.483 20 30 EEEDLO CS[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000980734974 775334239 /nfs/dbraw/zinc/33/42/39/775334239.db2.gz QYJPAIMMBCUMFG-CYBMUJFWSA-N 1 2 335.448 2.483 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCN(C(=O)[C@H](C)SC)CC1 ZINC000980731725 775366058 /nfs/dbraw/zinc/36/60/58/775366058.db2.gz CRCHKTRJHRSISJ-AWEZNQCLSA-N 1 2 347.484 2.353 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CCCN(C(=O)[C@H](C)SC)CC1 ZINC000980731725 775366070 /nfs/dbraw/zinc/36/60/70/775366070.db2.gz CRCHKTRJHRSISJ-AWEZNQCLSA-N 1 2 347.484 2.353 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CCCCN(c2cc[nH+]c(C)n2)C1 ZINC001063201743 790358805 /nfs/dbraw/zinc/35/88/05/790358805.db2.gz UDCXRPKZFZYZNO-IBGZPJMESA-N 1 2 348.450 2.484 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc(N2CCCC2)n1 ZINC001027977158 775532057 /nfs/dbraw/zinc/53/20/57/775532057.db2.gz NJXXWCFLQSOORL-CQSZACIVSA-N 1 2 349.866 2.024 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccnc(N2CCCC2)n1 ZINC001027977158 775532066 /nfs/dbraw/zinc/53/20/66/775532066.db2.gz NJXXWCFLQSOORL-CQSZACIVSA-N 1 2 349.866 2.024 20 30 EEEDLO C[C@H]1C[C@H](C(=O)NCC2C[NH+](CC#Cc3cccc(Cl)c3)C2)CO1 ZINC001031789153 775660992 /nfs/dbraw/zinc/66/09/92/775660992.db2.gz MJOZXSMJZJOTIQ-YOEHRIQHSA-N 1 2 346.858 2.165 20 30 EEEDLO C[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000939178353 775845845 /nfs/dbraw/zinc/84/58/45/775845845.db2.gz LXWCGEWBQZIRTD-DJJJIMSYSA-N 1 2 349.438 2.409 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1OC ZINC001212337384 776139032 /nfs/dbraw/zinc/13/90/32/776139032.db2.gz KXMAXUCYWJEQIY-ZIAGYGMSSA-N 1 2 341.839 2.077 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1OC ZINC001212337384 776139038 /nfs/dbraw/zinc/13/90/38/776139038.db2.gz KXMAXUCYWJEQIY-ZIAGYGMSSA-N 1 2 341.839 2.077 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000060552585 790455795 /nfs/dbraw/zinc/45/57/95/790455795.db2.gz LMFZXOSVQCPBFQ-UHFFFAOYSA-N 1 2 331.328 2.449 20 30 EEEDLO C=C(C)[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1)OCC ZINC001091374637 790485992 /nfs/dbraw/zinc/48/59/92/790485992.db2.gz YGKJZYVUODPAJQ-XHSDSOJGSA-N 1 2 332.448 2.463 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCc2ccon2)s1 ZINC001032520329 790528821 /nfs/dbraw/zinc/52/88/21/790528821.db2.gz KTHBWSHPLCBTQH-KBPBESRZSA-N 1 2 342.424 2.026 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCc2ccon2)s1 ZINC001032520329 790528834 /nfs/dbraw/zinc/52/88/34/790528834.db2.gz KTHBWSHPLCBTQH-KBPBESRZSA-N 1 2 342.424 2.026 20 30 EEEDLO Cc1nc(NCC[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)cc[nH+]1 ZINC001063270324 790529456 /nfs/dbraw/zinc/52/94/56/790529456.db2.gz IEOWQGDKBPDTAT-AWEZNQCLSA-N 1 2 338.415 2.339 20 30 EEEDLO O=C(c1n[nH]c2c1CCC2)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981528695 777594243 /nfs/dbraw/zinc/59/42/43/777594243.db2.gz KRJVAUKEENDQKK-UHFFFAOYSA-N 1 2 348.450 2.098 20 30 EEEDLO O=C(c1n[nH]c2c1CCC2)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981528695 777594247 /nfs/dbraw/zinc/59/42/47/777594247.db2.gz KRJVAUKEENDQKK-UHFFFAOYSA-N 1 2 348.450 2.098 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2nn(C)cc21 ZINC001028101048 777657482 /nfs/dbraw/zinc/65/74/82/777657482.db2.gz OJVJNLMEOZGEQF-KGLIPLIRSA-N 1 2 336.867 2.173 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2nn(C)cc21 ZINC001028101048 777657489 /nfs/dbraw/zinc/65/74/89/777657489.db2.gz OJVJNLMEOZGEQF-KGLIPLIRSA-N 1 2 336.867 2.173 20 30 EEEDLO Cc1cnc(CON=C(N)[C@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000181846482 777832280 /nfs/dbraw/zinc/83/22/80/777832280.db2.gz CYXCZOYKLBFFSD-OAHLLOKOSA-N 1 2 346.456 2.141 20 30 EEEDLO Cc1cnc(CON=C(N)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000181846482 777832288 /nfs/dbraw/zinc/83/22/88/777832288.db2.gz CYXCZOYKLBFFSD-OAHLLOKOSA-N 1 2 346.456 2.141 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC000981759647 778170950 /nfs/dbraw/zinc/17/09/50/778170950.db2.gz XNVOKOBCDUKAIR-UHFFFAOYSA-N 1 2 337.261 2.233 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC000981759647 778170952 /nfs/dbraw/zinc/17/09/52/778170952.db2.gz XNVOKOBCDUKAIR-UHFFFAOYSA-N 1 2 337.261 2.233 20 30 EEEDLO C[C@H](C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000981912741 778519237 /nfs/dbraw/zinc/51/92/37/778519237.db2.gz PPLDVJFXFNHXNQ-AZUAARDMSA-N 1 2 340.467 2.388 20 30 EEEDLO C[C@H](C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000981912741 778519242 /nfs/dbraw/zinc/51/92/42/778519242.db2.gz PPLDVJFXFNHXNQ-AZUAARDMSA-N 1 2 340.467 2.388 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000981980550 778751650 /nfs/dbraw/zinc/75/16/50/778751650.db2.gz DPYJVMLFXYQJIE-QAPCUYQASA-N 1 2 327.428 2.018 20 30 EEEDLO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000981980550 778751653 /nfs/dbraw/zinc/75/16/53/778751653.db2.gz DPYJVMLFXYQJIE-QAPCUYQASA-N 1 2 327.428 2.018 20 30 EEEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3cc(C4CC4)no3)C2)cc1 ZINC001031892204 778760973 /nfs/dbraw/zinc/76/09/73/778760973.db2.gz QSYJJCLWBNDHEG-UHFFFAOYSA-N 1 2 335.407 2.395 20 30 EEEDLO Cc1c[nH]c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)c(F)c3)CC2)n1 ZINC000982139171 779160956 /nfs/dbraw/zinc/16/09/56/779160956.db2.gz LNQOFZQAJXHWHE-UHFFFAOYSA-N 1 2 341.390 2.077 20 30 EEEDLO Cc1c[nH]c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)n1 ZINC000982139171 779160959 /nfs/dbraw/zinc/16/09/59/779160959.db2.gz LNQOFZQAJXHWHE-UHFFFAOYSA-N 1 2 341.390 2.077 20 30 EEEDLO CCc1noc([C@H](C)[N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H](C)C#N)C[C@@]3(C)C2)n1 ZINC000982233635 779342246 /nfs/dbraw/zinc/34/22/46/779342246.db2.gz YLJOJRPYDSKEHF-DSIZOQBWSA-N 1 2 345.447 2.023 20 30 EEEDLO CCc1noc([C@H](C)[N@H+]2C[C@@]3(C)CN(C(=O)[C@@H](C)C#N)C[C@@]3(C)C2)n1 ZINC000982233635 779342251 /nfs/dbraw/zinc/34/22/51/779342251.db2.gz YLJOJRPYDSKEHF-DSIZOQBWSA-N 1 2 345.447 2.023 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ncc(C)s2)cn1 ZINC001028270300 779839123 /nfs/dbraw/zinc/83/91/23/779839123.db2.gz GEFQXVXMVZHWEL-MRXNPFEDSA-N 1 2 340.452 2.222 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ncc(C)s2)cn1 ZINC001028270300 779839131 /nfs/dbraw/zinc/83/91/31/779839131.db2.gz GEFQXVXMVZHWEL-MRXNPFEDSA-N 1 2 340.452 2.222 20 30 EEEDLO CC(C)(C)C(=O)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001075625568 779848631 /nfs/dbraw/zinc/84/86/31/779848631.db2.gz KNKZKDAQFNZANZ-DLBZAZTESA-N 1 2 339.439 2.206 20 30 EEEDLO CC(C)(C)C(=O)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001075625568 779848637 /nfs/dbraw/zinc/84/86/37/779848637.db2.gz KNKZKDAQFNZANZ-DLBZAZTESA-N 1 2 339.439 2.206 20 30 EEEDLO C=C1CCC(C(=O)NCC2C[NH+]([C@H](C)C(=O)NC3CCCC3)C2)CC1 ZINC001031950121 780483341 /nfs/dbraw/zinc/48/33/41/780483341.db2.gz SHQZWBMRRIYQCJ-OAHLLOKOSA-N 1 2 347.503 2.228 20 30 EEEDLO CCc1nocc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031955502 780616768 /nfs/dbraw/zinc/61/67/68/780616768.db2.gz AVJNAJMEGFHNKQ-UHFFFAOYSA-N 1 2 342.374 2.110 20 30 EEEDLO CCc1nocc1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031955685 780625789 /nfs/dbraw/zinc/62/57/89/780625789.db2.gz LMBKATNLJYQPHH-UHFFFAOYSA-N 1 2 342.374 2.110 20 30 EEEDLO CC(C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O)=C1CCCC1 ZINC001083400596 781068592 /nfs/dbraw/zinc/06/85/92/781068592.db2.gz WRIAAMJNYQXZMK-SJORKVTESA-N 1 2 345.468 2.172 20 30 EEEDLO CC(C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O)=C1CCCC1 ZINC001083400596 781068598 /nfs/dbraw/zinc/06/85/98/781068598.db2.gz WRIAAMJNYQXZMK-SJORKVTESA-N 1 2 345.468 2.172 20 30 EEEDLO Cc1cncc(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#Cc2ccccc2)c1 ZINC001032542172 790873710 /nfs/dbraw/zinc/87/37/10/790873710.db2.gz NHXSQYFNZDVEJV-SFTDATJTSA-N 1 2 345.446 2.269 20 30 EEEDLO Cc1cncc(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#Cc2ccccc2)c1 ZINC001032542172 790873723 /nfs/dbraw/zinc/87/37/23/790873723.db2.gz NHXSQYFNZDVEJV-SFTDATJTSA-N 1 2 345.446 2.269 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCOC2)[C@H]1CC ZINC001087525567 781683301 /nfs/dbraw/zinc/68/33/01/781683301.db2.gz CXHLSWXYECSIBV-MELADBBJSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCOC2)[C@H]1CC ZINC001087525567 781683310 /nfs/dbraw/zinc/68/33/10/781683310.db2.gz CXHLSWXYECSIBV-MELADBBJSA-N 1 2 345.281 2.291 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCCCC[C@@H]([NH2+]Cc2noc(C(C)(C)C)n2)C1 ZINC001088280543 783347059 /nfs/dbraw/zinc/34/70/59/783347059.db2.gz UELUYFBGZIPCRM-UONOGXRCSA-N 1 2 347.463 2.388 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccncc2Cl)C1 ZINC001131945803 783507871 /nfs/dbraw/zinc/50/78/71/783507871.db2.gz BCXCGPKTFVQQFJ-UKRRQHHQSA-N 1 2 337.851 2.407 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccncc2Cl)C1 ZINC001131945803 783507875 /nfs/dbraw/zinc/50/78/75/783507875.db2.gz BCXCGPKTFVQQFJ-UKRRQHHQSA-N 1 2 337.851 2.407 20 30 EEEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)C(F)=C2CCCC2)CC[C@H]1C ZINC001131951937 783519800 /nfs/dbraw/zinc/51/98/00/783519800.db2.gz TYDXOVAXCRKIFY-UKRRQHHQSA-N 1 2 337.439 2.055 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C(F)=C2CCCC2)CC[C@H]1C ZINC001131951937 783519806 /nfs/dbraw/zinc/51/98/06/783519806.db2.gz TYDXOVAXCRKIFY-UKRRQHHQSA-N 1 2 337.439 2.055 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001131976462 783540421 /nfs/dbraw/zinc/54/04/21/783540421.db2.gz KRACFAKTQCGLIG-IAGOWNOFSA-N 1 2 349.519 2.311 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001131976462 783540430 /nfs/dbraw/zinc/54/04/30/783540430.db2.gz KRACFAKTQCGLIG-IAGOWNOFSA-N 1 2 349.519 2.311 20 30 EEEDLO CC(C)(F)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(OCC#N)cc1 ZINC001032242927 783630431 /nfs/dbraw/zinc/63/04/31/783630431.db2.gz JTIQPXKDOGRMKS-GJZGRUSLSA-N 1 2 331.391 2.122 20 30 EEEDLO CC(C)(F)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(OCC#N)cc1 ZINC001032242927 783630435 /nfs/dbraw/zinc/63/04/35/783630435.db2.gz JTIQPXKDOGRMKS-GJZGRUSLSA-N 1 2 331.391 2.122 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(F)(F)C(F)F)c1 ZINC001135437385 783767952 /nfs/dbraw/zinc/76/79/52/783767952.db2.gz CVCSDXYWGXURDM-GHMZBOCLSA-N 1 2 345.340 2.450 20 30 EEEDLO CCC[N@H+](Cc1cn(-c2ccn(C)n2)nn1)Cc1ccc(C#N)cc1 ZINC000906255580 783780728 /nfs/dbraw/zinc/78/07/28/783780728.db2.gz ZWSXAOZTBOSJMM-UHFFFAOYSA-N 1 2 335.415 2.285 20 30 EEEDLO CCC[N@@H+](Cc1cn(-c2ccn(C)n2)nn1)Cc1ccc(C#N)cc1 ZINC000906255580 783780734 /nfs/dbraw/zinc/78/07/34/783780734.db2.gz ZWSXAOZTBOSJMM-UHFFFAOYSA-N 1 2 335.415 2.285 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccn(C3CCCC3)n2)C1 ZINC001035385894 784422662 /nfs/dbraw/zinc/42/26/62/784422662.db2.gz GRNCBGUNJCIBDR-MRXNPFEDSA-N 1 2 332.448 2.005 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccn(C3CCCC3)n2)C1 ZINC001035385894 784422668 /nfs/dbraw/zinc/42/26/68/784422668.db2.gz GRNCBGUNJCIBDR-MRXNPFEDSA-N 1 2 332.448 2.005 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)C1CC(Nc2[nH+]cnc3c2cnn3C)C1 ZINC001127009315 784431365 /nfs/dbraw/zinc/43/13/65/784431365.db2.gz AGIGNHSRRAMAJH-UHFFFAOYSA-N 1 2 342.447 2.367 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)n(C(CC)CC)n2)C1 ZINC001035424193 784467774 /nfs/dbraw/zinc/46/77/74/784467774.db2.gz OFCHPMXOBOUJGZ-INIZCTEOSA-N 1 2 334.464 2.169 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)n(C(CC)CC)n2)C1 ZINC001035424193 784467780 /nfs/dbraw/zinc/46/77/80/784467780.db2.gz OFCHPMXOBOUJGZ-INIZCTEOSA-N 1 2 334.464 2.169 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001035455460 784505325 /nfs/dbraw/zinc/50/53/25/784505325.db2.gz ILIYFMBACJCLCS-WSTZPKSXSA-N 1 2 328.456 2.357 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001035455460 784505333 /nfs/dbraw/zinc/50/53/33/784505333.db2.gz ILIYFMBACJCLCS-WSTZPKSXSA-N 1 2 328.456 2.357 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(F)c(F)c2F)C1 ZINC001035490637 784577597 /nfs/dbraw/zinc/57/75/97/784577597.db2.gz ZTUVFCXDQHEABM-LLVKDONJSA-N 1 2 328.334 2.111 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(F)c(F)c2F)C1 ZINC001035490637 784577601 /nfs/dbraw/zinc/57/76/01/784577601.db2.gz ZTUVFCXDQHEABM-LLVKDONJSA-N 1 2 328.334 2.111 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001035506473 784608885 /nfs/dbraw/zinc/60/88/85/784608885.db2.gz SSRNIBBHCKCONE-IBGZPJMESA-N 1 2 341.455 2.070 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001035506473 784608887 /nfs/dbraw/zinc/60/88/87/784608887.db2.gz SSRNIBBHCKCONE-IBGZPJMESA-N 1 2 341.455 2.070 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(F)c2Cl)C1 ZINC001035524369 784668799 /nfs/dbraw/zinc/66/87/99/784668799.db2.gz QFAKJTPTYRPBBX-GFCCVEGCSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccc(F)c2Cl)C1 ZINC001035524369 784668804 /nfs/dbraw/zinc/66/88/04/784668804.db2.gz QFAKJTPTYRPBBX-GFCCVEGCSA-N 1 2 326.799 2.486 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccnc(O[C@@H](C)CC)c2)C1 ZINC001035577050 784771645 /nfs/dbraw/zinc/77/16/45/784771645.db2.gz JZNRONYIRYYYSN-RDJZCZTQSA-N 1 2 347.459 2.266 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccnc(O[C@@H](C)CC)c2)C1 ZINC001035577050 784771654 /nfs/dbraw/zinc/77/16/54/784771654.db2.gz JZNRONYIRYYYSN-RDJZCZTQSA-N 1 2 347.459 2.266 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc3oc(C)nc32)C1 ZINC001035624901 784818823 /nfs/dbraw/zinc/81/88/23/784818823.db2.gz MSTZIAWSMXIBCQ-CQSZACIVSA-N 1 2 329.400 2.143 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccc3oc(C)nc32)C1 ZINC001035624901 784818830 /nfs/dbraw/zinc/81/88/30/784818830.db2.gz MSTZIAWSMXIBCQ-CQSZACIVSA-N 1 2 329.400 2.143 20 30 EEEDLO CO[C@@H](C)C(=O)N1CCC2(C[NH+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC001035666384 784951517 /nfs/dbraw/zinc/95/15/17/784951517.db2.gz SNEKGXGXIBSULF-AWEZNQCLSA-N 1 2 345.418 2.157 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cn(C3CCC3)nn1)CC2 ZINC001035709043 784993007 /nfs/dbraw/zinc/99/30/07/784993007.db2.gz MYMMRBUBTMAYFQ-UHFFFAOYSA-N 1 2 349.866 2.294 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCc3ccsc3)nn2)C1 ZINC001107179698 786229349 /nfs/dbraw/zinc/22/93/49/786229349.db2.gz QTGQOBGNRVKJTI-UHFFFAOYSA-N 1 2 345.472 2.021 20 30 EEEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C3(C)CCCCCC3)nn2)C1 ZINC001107179506 786229453 /nfs/dbraw/zinc/22/94/53/786229453.db2.gz LJZNPBRRJJMWQT-UHFFFAOYSA-N 1 2 343.475 2.135 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2F)[C@H](O)C1 ZINC001090534014 786427705 /nfs/dbraw/zinc/42/77/05/786427705.db2.gz LOSVJCXCOQJHIK-QWHCGFSZSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2F)[C@H](O)C1 ZINC001090534014 786427707 /nfs/dbraw/zinc/42/77/07/786427707.db2.gz LOSVJCXCOQJHIK-QWHCGFSZSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](CC)CC(C)C)nn2)C1 ZINC001107227049 786500758 /nfs/dbraw/zinc/50/07/58/786500758.db2.gz BQQMXNXVXLDQSI-HNNXBMFYSA-N 1 2 333.480 2.399 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](CCCC)C(C)C)nn2)C1 ZINC001107238658 786590841 /nfs/dbraw/zinc/59/08/41/786590841.db2.gz JJWCJIGENASVMF-KRWDZBQOSA-N 1 2 333.480 2.399 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1nc(C)cc1C)C2 ZINC001109578357 805709551 /nfs/dbraw/zinc/70/95/51/805709551.db2.gz YALFUPXVAKIQER-PMPSAXMXSA-N 1 2 336.867 2.364 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1nc(C)cc1C)C2 ZINC001109578357 805709554 /nfs/dbraw/zinc/70/95/54/805709554.db2.gz YALFUPXVAKIQER-PMPSAXMXSA-N 1 2 336.867 2.364 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(OC)nn1 ZINC001109591009 805725980 /nfs/dbraw/zinc/72/59/80/805725980.db2.gz LWBUKJHAEWTOMV-PMPSAXMXSA-N 1 2 344.459 2.309 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(OC)nn1 ZINC001109591009 805725984 /nfs/dbraw/zinc/72/59/84/805725984.db2.gz LWBUKJHAEWTOMV-PMPSAXMXSA-N 1 2 344.459 2.309 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nnn1CC ZINC001109601696 805732247 /nfs/dbraw/zinc/73/22/47/805732247.db2.gz LPDLGRCWHRXIAV-ILXRZTDVSA-N 1 2 331.464 2.040 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nnn1CC ZINC001109601696 805732254 /nfs/dbraw/zinc/73/22/54/805732254.db2.gz LPDLGRCWHRXIAV-ILXRZTDVSA-N 1 2 331.464 2.040 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)N(C)C1CC(Nc2cc[nH+]c(C)n2)C1 ZINC001127033126 786982254 /nfs/dbraw/zinc/98/22/54/786982254.db2.gz CYFDBRSYBZMBOA-JMLCCBQJSA-N 1 2 332.448 2.415 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccncc2F)c1 ZINC001032329335 787654318 /nfs/dbraw/zinc/65/43/18/787654318.db2.gz IQHHYDKCKXVVOY-HOTGVXAUSA-N 1 2 336.370 2.191 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccncc2F)c1 ZINC001032329335 787654326 /nfs/dbraw/zinc/65/43/26/787654326.db2.gz IQHHYDKCKXVVOY-HOTGVXAUSA-N 1 2 336.370 2.191 20 30 EEEDLO C#CCOc1ccc(C(=O)N(C)CCCNc2cc[nH+]c(C)n2)cc1 ZINC001109638450 805815290 /nfs/dbraw/zinc/81/52/90/805815290.db2.gz SWUCVDYKXWZMFV-UHFFFAOYSA-N 1 2 338.411 2.371 20 30 EEEDLO C[C@@]1(CNC(=O)C2CCC2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107677971 788032884 /nfs/dbraw/zinc/03/28/84/788032884.db2.gz PLWOHKZPYKGWAK-LJQANCHMSA-N 1 2 327.428 2.065 20 30 EEEDLO C[C@@]1(CNC(=O)C2CCC2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107677971 788032891 /nfs/dbraw/zinc/03/28/91/788032891.db2.gz PLWOHKZPYKGWAK-LJQANCHMSA-N 1 2 327.428 2.065 20 30 EEEDLO CC[C@@H](C)C(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107752252 788235578 /nfs/dbraw/zinc/23/55/78/788235578.db2.gz QYZYVLQNGVMMSY-BEFAXECRSA-N 1 2 329.444 2.311 20 30 EEEDLO CC[C@@H](C)C(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107752252 788235581 /nfs/dbraw/zinc/23/55/81/788235581.db2.gz QYZYVLQNGVMMSY-BEFAXECRSA-N 1 2 329.444 2.311 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3[nH]2)[C@@H](O)C1 ZINC001090794721 788317592 /nfs/dbraw/zinc/31/75/92/788317592.db2.gz SGEZQYUMJYRJNY-ZBFHGGJFSA-N 1 2 333.819 2.085 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc3ccccc3[nH]2)[C@@H](O)C1 ZINC001090794721 788317600 /nfs/dbraw/zinc/31/76/00/788317600.db2.gz SGEZQYUMJYRJNY-ZBFHGGJFSA-N 1 2 333.819 2.085 20 30 EEEDLO C#CCOc1ccc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000825099989 788418530 /nfs/dbraw/zinc/41/85/30/788418530.db2.gz PFOZZZJSUFCCBI-UHFFFAOYSA-N 1 2 349.434 2.094 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(c3cccc(C)c3)CC2)[C@@H](O)C1 ZINC001090833119 788471337 /nfs/dbraw/zinc/47/13/37/788471337.db2.gz KWKPMIKISHFZJR-IRXDYDNUSA-N 1 2 348.874 2.331 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(c3cccc(C)c3)CC2)[C@@H](O)C1 ZINC001090833119 788471343 /nfs/dbraw/zinc/47/13/43/788471343.db2.gz KWKPMIKISHFZJR-IRXDYDNUSA-N 1 2 348.874 2.331 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2coc3ccccc23)[C@@H](O)C1 ZINC001090852717 788550629 /nfs/dbraw/zinc/55/06/29/788550629.db2.gz UIWYTOYTYZWOCG-GJZGRUSLSA-N 1 2 334.803 2.350 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2coc3ccccc23)[C@@H](O)C1 ZINC001090852717 788550639 /nfs/dbraw/zinc/55/06/39/788550639.db2.gz UIWYTOYTYZWOCG-GJZGRUSLSA-N 1 2 334.803 2.350 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001077723254 788675822 /nfs/dbraw/zinc/67/58/22/788675822.db2.gz SAHVKDZUKMIVMR-LSDHHAIUSA-N 1 2 346.475 2.059 20 30 EEEDLO NC(=[NH+]OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(F)cc1 ZINC000029464587 788680137 /nfs/dbraw/zinc/68/01/37/788680137.db2.gz QWNSJSWKZHXEEG-UHFFFAOYSA-N 1 2 347.302 2.438 20 30 EEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC000844443990 789126845 /nfs/dbraw/zinc/12/68/45/789126845.db2.gz SLCTXNTUTWWBJI-AWEZNQCLSA-N 1 2 326.437 2.341 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](OC)[C@@H](C)CC)CC2)C1 ZINC001105714155 789147890 /nfs/dbraw/zinc/14/78/90/789147890.db2.gz MBTGSDPKZKMNHH-MAUKXSAKSA-N 1 2 338.492 2.315 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H](CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001060263493 789211719 /nfs/dbraw/zinc/21/17/19/789211719.db2.gz UBZWZMLAQHPHNB-HZPDHXFCSA-N 1 2 346.475 2.299 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H](CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 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/nfs/dbraw/zinc/18/82/80/801188280.db2.gz WONMUBNWKMCTAP-GFCCVEGCSA-N 1 2 328.420 2.026 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CC[C@@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC001182449313 801191476 /nfs/dbraw/zinc/19/14/76/801191476.db2.gz AVEHQUVCRAEUQG-OAHLLOKOSA-N 1 2 344.459 2.467 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1C ZINC001085765561 801222471 /nfs/dbraw/zinc/22/24/71/801222471.db2.gz CTNHXRFFNJPIFI-XOKHGSTOSA-N 1 2 327.428 2.256 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1C ZINC001085765561 801222475 /nfs/dbraw/zinc/22/24/75/801222475.db2.gz CTNHXRFFNJPIFI-XOKHGSTOSA-N 1 2 327.428 2.256 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2c(C)noc2C)c1 ZINC001085809450 801328508 /nfs/dbraw/zinc/32/85/08/801328508.db2.gz DXHOWDLZJRDCKE-KRWDZBQOSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1cncc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2c(C)noc2C)c1 ZINC001085809450 801328512 /nfs/dbraw/zinc/32/85/12/801328512.db2.gz DXHOWDLZJRDCKE-KRWDZBQOSA-N 1 2 338.411 2.014 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]cc2-c2cnn(C)c2)C1 ZINC001033070805 801445594 /nfs/dbraw/zinc/44/55/94/801445594.db2.gz SDWRCIXRJNBZGQ-CQSZACIVSA-N 1 2 347.850 2.314 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]cc2-c2cnn(C)c2)C1 ZINC001033070805 801445596 /nfs/dbraw/zinc/44/55/96/801445596.db2.gz SDWRCIXRJNBZGQ-CQSZACIVSA-N 1 2 347.850 2.314 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnc(OC(C)C)cn2)C1 ZINC001033077752 801487765 /nfs/dbraw/zinc/48/77/65/801487765.db2.gz HZQWYMJOPAVPQK-CYBMUJFWSA-N 1 2 338.839 2.163 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc(OC(C)C)cn2)C1 ZINC001033077752 801487769 /nfs/dbraw/zinc/48/77/69/801487769.db2.gz HZQWYMJOPAVPQK-CYBMUJFWSA-N 1 2 338.839 2.163 20 30 EEEDLO C=CCCC1(C(=O)NCC2(Nc3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC001110326184 801491165 /nfs/dbraw/zinc/49/11/65/801491165.db2.gz DZHAEZFEUUEQPM-UHFFFAOYSA-N 1 2 340.431 2.170 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2scnc2C)nc1 ZINC001085929956 801672449 /nfs/dbraw/zinc/67/24/49/801672449.db2.gz KHNAUJMISFHAOZ-HNNXBMFYSA-N 1 2 340.452 2.174 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2scnc2C)nc1 ZINC001085929956 801672457 /nfs/dbraw/zinc/67/24/57/801672457.db2.gz KHNAUJMISFHAOZ-HNNXBMFYSA-N 1 2 340.452 2.174 20 30 EEEDLO CN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N)C1(C)COC1 ZINC001183830853 801760969 /nfs/dbraw/zinc/76/09/69/801760969.db2.gz JMNODBMSNGMCLK-KRWDZBQOSA-N 1 2 327.428 2.160 20 30 EEEDLO CN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N)C1(C)COC1 ZINC001183830853 801760974 /nfs/dbraw/zinc/76/09/74/801760974.db2.gz JMNODBMSNGMCLK-KRWDZBQOSA-N 1 2 327.428 2.160 20 30 EEEDLO C[C@@H]1COCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183839996 801767684 /nfs/dbraw/zinc/76/76/84/801767684.db2.gz BNVVYLHEXKJJCW-ATZDWAIDSA-N 1 2 341.455 2.454 20 30 EEEDLO C[C@@H]1COCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183839996 801767688 /nfs/dbraw/zinc/76/76/88/801767688.db2.gz BNVVYLHEXKJJCW-ATZDWAIDSA-N 1 2 341.455 2.454 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001066368210 802032023 /nfs/dbraw/zinc/03/20/23/802032023.db2.gz ABWWUGREZGZJJF-AWEZNQCLSA-N 1 2 332.448 2.052 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001108240955 802079551 /nfs/dbraw/zinc/07/95/51/802079551.db2.gz SDOXFWOKQDLXHG-XFKSJGNHSA-N 1 2 332.488 2.433 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001108240955 802079558 /nfs/dbraw/zinc/07/95/58/802079558.db2.gz SDOXFWOKQDLXHG-XFKSJGNHSA-N 1 2 332.488 2.433 20 30 EEEDLO COc1cnc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c(F)c1 ZINC001004459332 802126121 /nfs/dbraw/zinc/12/61/21/802126121.db2.gz PMUJKHCGVJTVCU-INIZCTEOSA-N 1 2 346.406 2.069 20 30 EEEDLO COc1cnc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c(F)c1 ZINC001004459332 802126124 /nfs/dbraw/zinc/12/61/24/802126124.db2.gz PMUJKHCGVJTVCU-INIZCTEOSA-N 1 2 346.406 2.069 20 30 EEEDLO Cn1ncc(C2CC2)c1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004459453 802126290 /nfs/dbraw/zinc/12/62/90/802126290.db2.gz RBHTXRCLTJBWFH-KRWDZBQOSA-N 1 2 341.459 2.138 20 30 EEEDLO Cn1ncc(C2CC2)c1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004459453 802126292 /nfs/dbraw/zinc/12/62/92/802126292.db2.gz RBHTXRCLTJBWFH-KRWDZBQOSA-N 1 2 341.459 2.138 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc3cc[nH]c3n2)CC1 ZINC001004467560 802147161 /nfs/dbraw/zinc/14/71/61/802147161.db2.gz YHIIOWSNMKHLGK-QGZVFWFLSA-N 1 2 337.427 2.403 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc3cc[nH]c3n2)CC1 ZINC001004467560 802147169 /nfs/dbraw/zinc/14/71/69/802147169.db2.gz YHIIOWSNMKHLGK-QGZVFWFLSA-N 1 2 337.427 2.403 20 30 EEEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000786983533 806966033 /nfs/dbraw/zinc/96/60/33/806966033.db2.gz VUUFPWICLYHHRX-JKSUJKDBSA-N 1 2 338.411 2.443 20 30 EEEDLO C[C@H](CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)c1cnn(C)c1 ZINC001004492848 802210499 /nfs/dbraw/zinc/21/04/99/802210499.db2.gz JTMFZVNKOIRBQQ-QAPCUYQASA-N 1 2 343.475 2.140 20 30 EEEDLO C[C@H](CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)c1cnn(C)c1 ZINC001004492848 802210506 /nfs/dbraw/zinc/21/05/06/802210506.db2.gz JTMFZVNKOIRBQQ-QAPCUYQASA-N 1 2 343.475 2.140 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2nnc(OCC)s2)C1 ZINC001185064890 802310991 /nfs/dbraw/zinc/31/09/91/802310991.db2.gz ZNYCICROIQIVGZ-QWHCGFSZSA-N 1 2 338.477 2.230 20 30 EEEDLO CCn1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c(C)n1 ZINC001004570400 802390596 /nfs/dbraw/zinc/39/05/96/802390596.db2.gz RZTFCYNDODLLIX-KRWDZBQOSA-N 1 2 329.448 2.052 20 30 EEEDLO CCn1cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c(C)n1 ZINC001004570400 802390604 /nfs/dbraw/zinc/39/06/04/802390604.db2.gz RZTFCYNDODLLIX-KRWDZBQOSA-N 1 2 329.448 2.052 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC001033145002 802402397 /nfs/dbraw/zinc/40/23/97/802402397.db2.gz FEIPXOYQNCWAIC-CVEARBPZSA-N 1 2 339.443 2.372 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)[C@H]1CC[N@H+]([C@H](C)c2ncccn2)C1 ZINC001033145002 802402401 /nfs/dbraw/zinc/40/24/01/802402401.db2.gz FEIPXOYQNCWAIC-CVEARBPZSA-N 1 2 339.443 2.372 20 30 EEEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)Nc1ncc(C#N)cc1Cl ZINC001098319377 802621121 /nfs/dbraw/zinc/62/11/21/802621121.db2.gz FSJPJPJHXPIDLS-MNOVXSKESA-N 1 2 346.822 2.125 20 30 EEEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)Nc1ncc(C#N)cc1Cl ZINC001098319377 802621127 /nfs/dbraw/zinc/62/11/27/802621127.db2.gz FSJPJPJHXPIDLS-MNOVXSKESA-N 1 2 346.822 2.125 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001066465616 802636675 /nfs/dbraw/zinc/63/66/75/802636675.db2.gz PUQQZERAGHSWBK-BZUAXINKSA-N 1 2 344.459 2.367 20 30 EEEDLO C=CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001066465616 802636679 /nfs/dbraw/zinc/63/66/79/802636679.db2.gz PUQQZERAGHSWBK-BZUAXINKSA-N 1 2 344.459 2.367 20 30 EEEDLO C=C(Br)C[NH2+][C@H]1C[C@H](CNC(=O)c2[nH]nc(C)c2C)C1 ZINC001086328364 802746081 /nfs/dbraw/zinc/74/60/81/802746081.db2.gz NDBCVOKQSDEZNO-HAQNSBGRSA-N 1 2 341.253 2.033 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cn(CC(F)F)nc2C)C1 ZINC001033173078 802765913 /nfs/dbraw/zinc/76/59/13/802765913.db2.gz PRTBAFPPHPYGMJ-LBPRGKRZSA-N 1 2 346.809 2.355 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn(CC(F)F)nc2C)C1 ZINC001033173078 802765918 /nfs/dbraw/zinc/76/59/18/802765918.db2.gz PRTBAFPPHPYGMJ-LBPRGKRZSA-N 1 2 346.809 2.355 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2ccc(Cl)s2)C1 ZINC001108262052 802766610 /nfs/dbraw/zinc/76/66/10/802766610.db2.gz KPOATBJWEPBHEH-MRXNPFEDSA-N 1 2 340.876 2.174 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2ccc(Cl)s2)C1 ZINC001108262052 802766612 /nfs/dbraw/zinc/76/66/12/802766612.db2.gz KPOATBJWEPBHEH-MRXNPFEDSA-N 1 2 340.876 2.174 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001108264346 802768794 /nfs/dbraw/zinc/76/87/94/802768794.db2.gz TXWDETFWNRDCDR-QGZVFWFLSA-N 1 2 338.835 2.355 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001108264346 802768799 /nfs/dbraw/zinc/76/87/99/802768799.db2.gz TXWDETFWNRDCDR-QGZVFWFLSA-N 1 2 338.835 2.355 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001108267389 802775135 /nfs/dbraw/zinc/77/51/35/802775135.db2.gz AWWXTZXIGZUEDE-NLWGTHIKSA-N 1 2 344.455 2.192 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001108267389 802775141 /nfs/dbraw/zinc/77/51/41/802775141.db2.gz AWWXTZXIGZUEDE-NLWGTHIKSA-N 1 2 344.455 2.192 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccc3c2O[C@@H](C)C3)C1 ZINC001108083391 802780982 /nfs/dbraw/zinc/78/09/82/802780982.db2.gz ZZRMWPMXZOSSNK-LIRRHRJNSA-N 1 2 330.428 2.017 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccc3c2O[C@@H](C)C3)C1 ZINC001108083391 802780985 /nfs/dbraw/zinc/78/09/85/802780985.db2.gz ZZRMWPMXZOSSNK-LIRRHRJNSA-N 1 2 330.428 2.017 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001066504045 802813505 /nfs/dbraw/zinc/81/35/05/802813505.db2.gz ORUSWGHNRUUVNQ-RDTXWAMCSA-N 1 2 332.448 2.052 20 30 EEEDLO C=C(C)[C@H](CC(=O)NCC[NH2+][C@H](C)c1nc(C2CC2)no1)OCC ZINC001128539883 802846591 /nfs/dbraw/zinc/84/65/91/802846591.db2.gz MQVSTAGGQYQOJG-OCCSQVGLSA-N 1 2 336.436 2.085 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001108269985 802853396 /nfs/dbraw/zinc/85/33/96/802853396.db2.gz TZTGVRWNAJHFCS-GIVPXCGWSA-N 1 2 340.467 2.411 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001108269985 802853399 /nfs/dbraw/zinc/85/33/99/802853399.db2.gz TZTGVRWNAJHFCS-GIVPXCGWSA-N 1 2 340.467 2.411 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc3cccnc3c2)C1 ZINC001108285254 803171477 /nfs/dbraw/zinc/17/14/77/803171477.db2.gz UEYCHMKHVYIHNU-LJQANCHMSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc3cccnc3c2)C1 ZINC001108285254 803171480 /nfs/dbraw/zinc/17/14/80/803171480.db2.gz UEYCHMKHVYIHNU-LJQANCHMSA-N 1 2 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2.198 20 30 EEEDLO Cc1conc1C(=O)N(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001438923507 1091592725 /nfs/dbraw/zinc/59/27/25/1091592725.db2.gz QIJUOVWHYMCGHI-UHFFFAOYSA-N 1 2 330.363 2.198 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@]1(C)CCCOC1 ZINC001438929088 1091606423 /nfs/dbraw/zinc/60/64/23/1091606423.db2.gz DJJLTGKOVVBBPJ-LJQANCHMSA-N 1 2 329.444 2.265 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@]1(C)CCCOC1 ZINC001438929088 1091606428 /nfs/dbraw/zinc/60/64/28/1091606428.db2.gz DJJLTGKOVVBBPJ-LJQANCHMSA-N 1 2 329.444 2.265 20 30 EEEDLO CCc1noc(C)c1C(=O)NCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC001442590021 1096959702 /nfs/dbraw/zinc/95/97/02/1096959702.db2.gz KWDHTDUYBMRXJR-UHFFFAOYSA-N 1 2 344.390 2.418 20 30 EEEDLO CCc1noc(C)c1C(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001442590021 1096959708 /nfs/dbraw/zinc/95/97/08/1096959708.db2.gz KWDHTDUYBMRXJR-UHFFFAOYSA-N 1 2 344.390 2.418 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccnc(-n2ccnc2)c1 ZINC001442755675 1097131415 /nfs/dbraw/zinc/13/14/15/1097131415.db2.gz BOCSBZPENYRPNG-UHFFFAOYSA-N 1 2 333.823 2.072 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccnc(-n2ccnc2)c1 ZINC001442755675 1097131419 /nfs/dbraw/zinc/13/14/19/1097131419.db2.gz BOCSBZPENYRPNG-UHFFFAOYSA-N 1 2 333.823 2.072 20 30 EEEDLO CS[C@H](C)CC(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001443584878 1098078018 /nfs/dbraw/zinc/07/80/18/1098078018.db2.gz PLPHOOMGWGSUEE-GFCCVEGCSA-N 1 2 335.448 2.387 20 30 EEEDLO Cc1nc(C[N@@H+](C)CCN(C)C(=O)c2cc(C#N)c[nH]2)sc1C ZINC001444964278 1100080699 /nfs/dbraw/zinc/08/06/99/1100080699.db2.gz JPJUKFCSFUMQAC-UHFFFAOYSA-N 1 2 331.445 2.164 20 30 EEEDLO Cc1nc(C[N@H+](C)CCN(C)C(=O)c2cc(C#N)c[nH]2)sc1C ZINC001444964278 1100080708 /nfs/dbraw/zinc/08/07/08/1100080708.db2.gz JPJUKFCSFUMQAC-UHFFFAOYSA-N 1 2 331.445 2.164 20 30 EEEDLO C[C@@H](C#N)C(=O)NCCC1CC[NH+](Cc2nccn2C(F)F)CC1 ZINC001495506022 1101218356 /nfs/dbraw/zinc/21/83/56/1101218356.db2.gz VRILYTFNLPOBPS-LBPRGKRZSA-N 1 2 339.390 2.156 20 30 EEEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)[C@@H]2CC23CCC3)CC1 ZINC001494103822 1103520935 /nfs/dbraw/zinc/52/09/35/1103520935.db2.gz JMZVXCPTCBXFRK-HNNXBMFYSA-N 1 2 325.884 2.005 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCc2c(C)noc2C)C1 ZINC001448360796 1104458372 /nfs/dbraw/zinc/45/83/72/1104458372.db2.gz QFGPGAJBFKUXRS-LLVKDONJSA-N 1 2 325.840 2.413 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C(F)(F)F)n(C)n1 ZINC001498293337 1107231590 /nfs/dbraw/zinc/23/15/90/1107231590.db2.gz KYIQZWRQCZJWNR-SECBINFHSA-N 1 2 338.761 2.242 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(C(F)(F)F)n(C)n1 ZINC001498293337 1107231599 /nfs/dbraw/zinc/23/15/99/1107231599.db2.gz KYIQZWRQCZJWNR-SECBINFHSA-N 1 2 338.761 2.242 20 30 EEEDLO N#Cc1ccccc1C[N@@H+](CCNC(=O)c1ccncc1F)C1CC1 ZINC001493357811 1107981238 /nfs/dbraw/zinc/98/12/38/1107981238.db2.gz JRANTOPPJHDKTG-UHFFFAOYSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccccc1C[N@H+](CCNC(=O)c1ccncc1F)C1CC1 ZINC001493357811 1107981242 /nfs/dbraw/zinc/98/12/42/1107981242.db2.gz JRANTOPPJHDKTG-UHFFFAOYSA-N 1 2 338.386 2.487 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](C(=O)OCC)C1 ZINC001520304770 1119144611 /nfs/dbraw/zinc/14/46/11/1119144611.db2.gz BEXIFAQCFYDBKW-CABCVRRESA-N 1 2 347.463 2.010 20 30 EEEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](C(=O)OCC)C1 ZINC001520304770 1119144613 /nfs/dbraw/zinc/14/46/13/1119144613.db2.gz BEXIFAQCFYDBKW-CABCVRRESA-N 1 2 347.463 2.010 20 30 EEEDLO CC[C@]1(CO)CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000187556402 529426359 /nfs/dbraw/zinc/42/63/59/529426359.db2.gz KNVCXZDQQAOZHR-PBHICJAKSA-N 1 2 333.457 2.210 20 30 EEEDLO CC[C@]1(CO)CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000187556402 529426361 /nfs/dbraw/zinc/42/63/61/529426361.db2.gz KNVCXZDQQAOZHR-PBHICJAKSA-N 1 2 333.457 2.210 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000067128121 215115819 /nfs/dbraw/zinc/11/58/19/215115819.db2.gz WUWJHHYQPXJNJM-UHFFFAOYSA-N 1 2 347.459 2.380 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000067128121 215115822 /nfs/dbraw/zinc/11/58/22/215115822.db2.gz WUWJHHYQPXJNJM-UHFFFAOYSA-N 1 2 347.459 2.380 20 30 EEEDLO CO[C@H]1C[C@@H](C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)[N@H+](C)C1 ZINC000328965555 539764877 /nfs/dbraw/zinc/76/48/77/539764877.db2.gz SEYITSPUQZZVQC-GJZGRUSLSA-N 1 2 349.435 2.089 20 30 EEEDLO CO[C@H]1C[C@@H](C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)[N@@H+](C)C1 ZINC000328965555 539764880 /nfs/dbraw/zinc/76/48/80/539764880.db2.gz SEYITSPUQZZVQC-GJZGRUSLSA-N 1 2 349.435 2.089 20 30 EEEDLO O=C(N[C@@H]1CCCN(c2ccccc2)C1)N1CCn2cc[nH+]c2C1 ZINC000329410346 539773445 /nfs/dbraw/zinc/77/34/45/539773445.db2.gz DRKJALCEJNBZPN-OAHLLOKOSA-N 1 2 325.416 2.282 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCc4c(F)cccc4C3)C2=O)cc1 ZINC000154844043 283152429 /nfs/dbraw/zinc/15/24/29/283152429.db2.gz VDFWFZORKVWELW-SFHVURJKSA-N 1 2 349.365 2.388 20 30 EEEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCc4c(F)cccc4C3)C2=O)cc1 ZINC000154844043 283152432 /nfs/dbraw/zinc/15/24/32/283152432.db2.gz VDFWFZORKVWELW-SFHVURJKSA-N 1 2 349.365 2.388 20 30 EEEDLO N#CCC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000451379912 243095385 /nfs/dbraw/zinc/09/53/85/243095385.db2.gz BFOPVBYPBFVGCU-UHFFFAOYSA-N 1 2 325.328 2.204 20 30 EEEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2ccccc2F)C1=O ZINC000078540658 217070989 /nfs/dbraw/zinc/07/09/89/217070989.db2.gz UTQCHGDZROMIEK-KRWDZBQOSA-N 1 2 337.354 2.461 20 30 EEEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2ccccc2F)C1=O ZINC000078540658 217070993 /nfs/dbraw/zinc/07/09/93/217070993.db2.gz UTQCHGDZROMIEK-KRWDZBQOSA-N 1 2 337.354 2.461 20 30 EEEDLO C=CCN1CC[C@H]([NH+]2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)C1=O ZINC000491355155 246002396 /nfs/dbraw/zinc/00/23/96/246002396.db2.gz OAKRHTCANUWCFA-KKUMJFAQSA-N 1 2 337.464 2.103 20 30 EEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H]2CCC3(CCCC3)O2)n1 ZINC000491651674 246096680 /nfs/dbraw/zinc/09/66/80/246096680.db2.gz IDGMOAHMEMLWIY-SFHVURJKSA-N 1 2 331.460 2.457 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H]2CCC3(CCCC3)O2)n1 ZINC000491651674 246096684 /nfs/dbraw/zinc/09/66/84/246096684.db2.gz IDGMOAHMEMLWIY-SFHVURJKSA-N 1 2 331.460 2.457 20 30 EEEDLO C#CCN(CC)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000491785210 246151111 /nfs/dbraw/zinc/15/11/11/246151111.db2.gz UHGZAPQHTJHOOQ-UHFFFAOYSA-N 1 2 334.489 2.269 20 30 EEEDLO C=CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000492759266 246612544 /nfs/dbraw/zinc/61/25/44/246612544.db2.gz BTIFSXWTAKWJLC-NPQIQWPPSA-N 1 2 349.398 2.174 20 30 EEEDLO C#CCN(C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)C1CC1 ZINC000491752708 533084427 /nfs/dbraw/zinc/08/44/27/533084427.db2.gz WTZTZVAHYYUJKS-GASCZTMLSA-N 1 2 342.443 2.002 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000267640444 256075293 /nfs/dbraw/zinc/07/52/93/256075293.db2.gz VRGZXBDVHLUEEM-CVEARBPZSA-N 1 2 342.395 2.047 20 30 EEEDLO C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000491786030 533240779 /nfs/dbraw/zinc/24/07/79/533240779.db2.gz SGMNYIPHHGJWHW-ZDUSSCGKSA-N 1 2 338.411 2.307 20 30 EEEDLO CCc1nsc(N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)n1 ZINC000076062062 159078699 /nfs/dbraw/zinc/07/86/99/159078699.db2.gz QMIXLHYEZRGJCB-UHFFFAOYSA-N 1 2 343.456 2.173 20 30 EEEDLO CC(C)CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554467 159252606 /nfs/dbraw/zinc/25/26/06/159252606.db2.gz RCYGKJUHWQGJRR-MRXNPFEDSA-N 1 2 328.460 2.231 20 30 EEEDLO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2Cc2ccccc2)cc1C#N ZINC000343904718 161179225 /nfs/dbraw/zinc/17/92/25/161179225.db2.gz IEGXQJQMUQWMQX-SFHVURJKSA-N 1 2 335.407 2.110 20 30 EEEDLO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2Cc2ccccc2)cc1C#N ZINC000343904718 161179226 /nfs/dbraw/zinc/17/92/26/161179226.db2.gz IEGXQJQMUQWMQX-SFHVURJKSA-N 1 2 335.407 2.110 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000343971616 161185653 /nfs/dbraw/zinc/18/56/53/161185653.db2.gz CWDBSIHOEBJMBT-SFHVURJKSA-N 1 2 335.407 2.110 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000343971616 161185654 /nfs/dbraw/zinc/18/56/54/161185654.db2.gz CWDBSIHOEBJMBT-SFHVURJKSA-N 1 2 335.407 2.110 20 30 EEEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000347424229 161451122 /nfs/dbraw/zinc/45/11/22/161451122.db2.gz JGCZMARWXJANML-GFCCVEGCSA-N 1 2 343.452 2.220 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000359098341 164058553 /nfs/dbraw/zinc/05/85/53/164058553.db2.gz RPGGGTGGVSQAIB-UHFFFAOYSA-N 1 2 340.408 2.035 20 30 EEEDLO Cc1ccnc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)c1C#N ZINC000359662583 164147799 /nfs/dbraw/zinc/14/77/99/164147799.db2.gz ROLIQFOVARVBSQ-GJZGRUSLSA-N 1 2 328.395 2.020 20 30 EEEDLO Cc1ccnc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)c1C#N ZINC000359662583 164147801 /nfs/dbraw/zinc/14/78/01/164147801.db2.gz ROLIQFOVARVBSQ-GJZGRUSLSA-N 1 2 328.395 2.020 20 30 EEEDLO Cc1nc(SCC(=O)N2CC(n3cc[nH+]c3)C2)c(C#N)c(C)c1C ZINC000522258477 270021815 /nfs/dbraw/zinc/02/18/15/270021815.db2.gz DEWCJKXMKZEBSZ-UHFFFAOYSA-N 1 2 341.440 2.251 20 30 EEEDLO C[C@@H]1C[C@@H](C)[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000281982060 267075180 /nfs/dbraw/zinc/07/51/80/267075180.db2.gz HTPLZKJNENOSFA-RKVPGOIHSA-N 1 2 327.428 2.016 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000297417517 267138297 /nfs/dbraw/zinc/13/82/97/267138297.db2.gz MBTXFGRGHKIDNP-CYBMUJFWSA-N 1 2 346.431 2.342 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000297417517 267138298 /nfs/dbraw/zinc/13/82/98/267138298.db2.gz MBTXFGRGHKIDNP-CYBMUJFWSA-N 1 2 346.431 2.342 20 30 EEEDLO CN(C)c1cc(C#N)cc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000507387797 267290746 /nfs/dbraw/zinc/29/07/46/267290746.db2.gz UQDIDYKNSOSXCF-UHFFFAOYSA-N 1 2 337.427 2.429 20 30 EEEDLO CN(C1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1)S(C)(=O)=O ZINC000439416072 267297878 /nfs/dbraw/zinc/29/78/78/267297878.db2.gz ARKAMYJEOUYDDJ-UHFFFAOYSA-N 1 2 341.864 2.067 20 30 EEEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3ccnn3)C2)c(C#N)c1C ZINC000425501454 268104900 /nfs/dbraw/zinc/10/49/00/268104900.db2.gz OEPDOORJZBJDKH-OCCSQVGLSA-N 1 2 342.403 2.024 20 30 EEEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3ccnn3)C2)c(C#N)c1C ZINC000425501454 268104902 /nfs/dbraw/zinc/10/49/02/268104902.db2.gz OEPDOORJZBJDKH-OCCSQVGLSA-N 1 2 342.403 2.024 20 30 EEEDLO N#Cc1ccc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000302774860 268108545 /nfs/dbraw/zinc/10/85/45/268108545.db2.gz OEGCPSKZXMECFC-HNNXBMFYSA-N 1 2 327.344 2.140 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nc(-c4ccco4)no3)C2)nc1 ZINC000292364616 268182987 /nfs/dbraw/zinc/18/29/87/268182987.db2.gz YFGBFYFTJZHEFM-CYBMUJFWSA-N 1 2 337.339 2.250 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nc(-c4ccco4)no3)C2)nc1 ZINC000292364616 268182990 /nfs/dbraw/zinc/18/29/90/268182990.db2.gz YFGBFYFTJZHEFM-CYBMUJFWSA-N 1 2 337.339 2.250 20 30 EEEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000528394532 268301427 /nfs/dbraw/zinc/30/14/27/268301427.db2.gz LEOAKBLCPSSYAA-RTBURBONSA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000528394532 268301429 /nfs/dbraw/zinc/30/14/29/268301429.db2.gz LEOAKBLCPSSYAA-RTBURBONSA-N 1 2 338.407 2.371 20 30 EEEDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H](C2CC2)O1 ZINC000279306309 269269362 /nfs/dbraw/zinc/26/93/62/269269362.db2.gz MRSVQQYHPDGYGR-JEBQAFNWSA-N 1 2 325.412 2.163 20 30 EEEDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H](C2CC2)O1 ZINC000279306309 269269364 /nfs/dbraw/zinc/26/93/64/269269364.db2.gz MRSVQQYHPDGYGR-JEBQAFNWSA-N 1 2 325.412 2.163 20 30 EEEDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000496056770 277239329 /nfs/dbraw/zinc/23/93/29/277239329.db2.gz KKOWTFVOUCBQDA-CQSZACIVSA-N 1 2 332.360 2.177 20 30 EEEDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000496056770 277239330 /nfs/dbraw/zinc/23/93/30/277239330.db2.gz KKOWTFVOUCBQDA-CQSZACIVSA-N 1 2 332.360 2.177 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)o3)[C@@H]2CC)cc1 ZINC001087681552 782058383 /nfs/dbraw/zinc/05/83/83/782058383.db2.gz CSYJPCGQGKZMMK-DLBZAZTESA-N 1 2 338.411 2.142 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)o3)[C@@H]2CC)cc1 ZINC001087681552 782058395 /nfs/dbraw/zinc/05/83/95/782058395.db2.gz CSYJPCGQGKZMMK-DLBZAZTESA-N 1 2 338.411 2.142 20 30 EEEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000537688420 318024662 /nfs/dbraw/zinc/02/46/62/318024662.db2.gz ONDJBCVDOCYRPK-UHFFFAOYSA-N 1 2 336.395 2.047 20 30 EEEDLO Cc1cccn2cc(CNS(=O)(=O)c3ccc(C#N)cc3F)[nH+]c12 ZINC000541869594 318114095 /nfs/dbraw/zinc/11/40/95/318114095.db2.gz FIBSKCXWXMBVSF-UHFFFAOYSA-N 1 2 344.371 2.132 20 30 EEEDLO CN1CC[N@H+](C)C[C@H]1c1noc(CSc2ccc(C#N)cc2)n1 ZINC000545081045 318201944 /nfs/dbraw/zinc/20/19/44/318201944.db2.gz FYOYOFKCYHDXBV-AWEZNQCLSA-N 1 2 329.429 2.152 20 30 EEEDLO CN1CC[N@@H+](C)C[C@H]1c1noc(CSc2ccc(C#N)cc2)n1 ZINC000545081045 318201945 /nfs/dbraw/zinc/20/19/45/318201945.db2.gz FYOYOFKCYHDXBV-AWEZNQCLSA-N 1 2 329.429 2.152 20 30 EEEDLO Cc1cc[nH+]cc1N1CCN(C(=O)NCc2ccc(C#N)s2)CC1 ZINC000563701644 319038402 /nfs/dbraw/zinc/03/84/02/319038402.db2.gz VLIFQHAKEDZVHP-UHFFFAOYSA-N 1 2 341.440 2.355 20 30 EEEDLO CN1C(=O)C[C@H]([NH2+]Cc2ncc(C#N)cn2)[C@H]1c1ccc(Cl)cc1 ZINC000563875696 319051132 /nfs/dbraw/zinc/05/11/32/319051132.db2.gz HCZNYBAVXODOQR-WMLDXEAASA-N 1 2 341.802 2.063 20 30 EEEDLO CN1C(=O)C[C@@H]([NH2+]Cc2nc(C#N)cs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000565803992 319215361 /nfs/dbraw/zinc/21/53/61/319215361.db2.gz YTEWYSFEMCCZRA-CJNGLKHVSA-N 1 2 348.378 2.355 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)ccn12 ZINC000572854374 319883762 /nfs/dbraw/zinc/88/37/62/319883762.db2.gz AAAQVLWXQIMFRH-MRXNPFEDSA-N 1 2 347.378 2.203 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1F)CCC2 ZINC000576143639 320144900 /nfs/dbraw/zinc/14/49/00/320144900.db2.gz DOBNJDSLNFUTFJ-ZDUSSCGKSA-N 1 2 348.403 2.058 20 30 EEEDLO C[C@H]1CSC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000347490103 465053792 /nfs/dbraw/zinc/05/37/92/465053792.db2.gz ZFQKLTCZDWZOGM-WMLDXEAASA-N 1 2 344.484 2.137 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C(C)C)CC1 ZINC000296083984 465076316 /nfs/dbraw/zinc/07/63/16/465076316.db2.gz SXGFYXBZUAQFHN-UHFFFAOYSA-N 1 2 341.434 2.344 20 30 EEEDLO CN(CC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1nc2ccccc2s1 ZINC000328709486 465106371 /nfs/dbraw/zinc/10/63/71/465106371.db2.gz FYDKRBHLTJMWJZ-GFCCVEGCSA-N 1 2 334.445 2.020 20 30 EEEDLO CN(CC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1nc2ccccc2s1 ZINC000328709486 465106380 /nfs/dbraw/zinc/10/63/80/465106380.db2.gz FYDKRBHLTJMWJZ-GFCCVEGCSA-N 1 2 334.445 2.020 20 30 EEEDLO O=C(C[N@@H+]1CCOCC12CCCC2)NC[C@@H]1COc2ccccc2O1 ZINC000328913159 465164688 /nfs/dbraw/zinc/16/46/88/465164688.db2.gz HWLKNJBYWYOSSP-OAHLLOKOSA-N 1 2 346.427 2.428 20 30 EEEDLO O=C(C[N@H+]1CCOCC12CCCC2)NC[C@@H]1COc2ccccc2O1 ZINC000328913159 465164694 /nfs/dbraw/zinc/16/46/94/465164694.db2.gz HWLKNJBYWYOSSP-OAHLLOKOSA-N 1 2 346.427 2.428 20 30 EEEDLO CC#CCCCC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000341486871 465194386 /nfs/dbraw/zinc/19/43/86/465194386.db2.gz VJPHVKXPNWRIBZ-UHFFFAOYSA-N 1 2 347.503 2.021 20 30 EEEDLO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329044688 465213944 /nfs/dbraw/zinc/21/39/44/465213944.db2.gz PKILGFMBGYTPEK-PWSUYJOCSA-N 1 2 328.376 2.203 20 30 EEEDLO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329044688 465213947 /nfs/dbraw/zinc/21/39/47/465213947.db2.gz PKILGFMBGYTPEK-PWSUYJOCSA-N 1 2 328.376 2.203 20 30 EEEDLO C=CCN1CC[C@@H](N2CCc3c([nH+]cn3-c3ccc(C)cc3)C2)C1=O ZINC000337206210 465242575 /nfs/dbraw/zinc/24/25/75/465242575.db2.gz MBZGFBOJGLXBCQ-LJQANCHMSA-N 1 2 336.439 2.326 20 30 EEEDLO C=CC[C@H](CO)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000341702734 465255617 /nfs/dbraw/zinc/25/56/17/465255617.db2.gz KTKFQAFVTRPBNO-XJKSGUPXSA-N 1 2 346.406 2.132 20 30 EEEDLO CC[C@H](C)[N@H+](CC(=O)OC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000337248653 465267172 /nfs/dbraw/zinc/26/71/72/465267172.db2.gz PRQJOGNFUSIOPK-YOEHRIQHSA-N 1 2 343.427 2.327 20 30 EEEDLO CC[C@H](C)[N@@H+](CC(=O)OC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000337248653 465267176 /nfs/dbraw/zinc/26/71/76/465267176.db2.gz PRQJOGNFUSIOPK-YOEHRIQHSA-N 1 2 343.427 2.327 20 30 EEEDLO C#CCOc1ccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000297604795 465263401 /nfs/dbraw/zinc/26/34/01/465263401.db2.gz SMDTZLSWGGNMIB-UHFFFAOYSA-N 1 2 338.411 2.442 20 30 EEEDLO COCc1cc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000297635579 465264341 /nfs/dbraw/zinc/26/43/41/465264341.db2.gz IDDRBHSJHVQPIV-UHFFFAOYSA-N 1 2 326.400 2.010 20 30 EEEDLO CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc3c[nH+]cn3c2)n1 ZINC000342331362 465310212 /nfs/dbraw/zinc/31/02/12/465310212.db2.gz AIOPKEAYSFVMAJ-LBPRGKRZSA-N 1 2 340.364 2.458 20 30 EEEDLO N#Cc1cc2c(nc1NCc1ccc(Cn3cc[nH+]c3)cc1)CCOC2 ZINC000590685704 468305913 /nfs/dbraw/zinc/30/59/13/468305913.db2.gz BOODWZCCWRQJNM-UHFFFAOYSA-N 1 2 345.406 2.883 20 30 EEEDLO CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000007386371 462733278 /nfs/dbraw/zinc/73/32/78/462733278.db2.gz PWKBQWSWVCTMOC-ZDUSSCGKSA-N 1 2 329.400 2.160 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000154161853 462735904 /nfs/dbraw/zinc/73/59/04/462735904.db2.gz DKYURFLASZVDOQ-ZWKOTPCHSA-N 1 2 337.379 2.321 20 30 EEEDLO Cc1nn(C)cc1C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000590714554 468315325 /nfs/dbraw/zinc/31/53/25/468315325.db2.gz HHAMQNJKLRXHEQ-GOSISDBHSA-N 1 2 327.407 2.250 20 30 EEEDLO C#CC[NH+]1CCN(Cn2ncc3c2cccc3Br)CC1 ZINC000117861988 462815564 /nfs/dbraw/zinc/81/55/64/462815564.db2.gz QVSVBQRSWHIHRL-UHFFFAOYSA-N 1 2 333.233 2.007 20 30 EEEDLO C=CC[N@@H+](CCCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066560915 462903723 /nfs/dbraw/zinc/90/37/23/462903723.db2.gz PMZFMWPBJUDUDW-HNNXBMFYSA-N 1 2 339.457 2.139 20 30 EEEDLO C=CC[N@H+](CCCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066560915 462903728 /nfs/dbraw/zinc/90/37/28/462903728.db2.gz PMZFMWPBJUDUDW-HNNXBMFYSA-N 1 2 339.457 2.139 20 30 EEEDLO CCC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC(=O)NC ZINC000156282477 463002032 /nfs/dbraw/zinc/00/20/32/463002032.db2.gz GNACZCHJGBDOAI-UHFFFAOYSA-N 1 2 328.334 2.395 20 30 EEEDLO CCC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC(=O)NC ZINC000156282477 463002037 /nfs/dbraw/zinc/00/20/37/463002037.db2.gz GNACZCHJGBDOAI-UHFFFAOYSA-N 1 2 328.334 2.395 20 30 EEEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000156297064 463003936 /nfs/dbraw/zinc/00/39/36/463003936.db2.gz NWUHHTVQYQEXRD-IBGZPJMESA-N 1 2 348.406 2.060 20 30 EEEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000156297064 463003942 /nfs/dbraw/zinc/00/39/42/463003942.db2.gz NWUHHTVQYQEXRD-IBGZPJMESA-N 1 2 348.406 2.060 20 30 EEEDLO C#CCSCCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000156793361 463068458 /nfs/dbraw/zinc/06/84/58/463068458.db2.gz NDOHYOXJZRBTSY-UHFFFAOYSA-N 1 2 340.452 2.013 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000052661237 463098905 /nfs/dbraw/zinc/09/89/05/463098905.db2.gz ZHXJXSTXHLLRFH-HNNXBMFYSA-N 1 2 348.878 2.218 20 30 EEEDLO C[C@@H](C(=O)N(C)CCC#N)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000052661237 463098909 /nfs/dbraw/zinc/09/89/09/463098909.db2.gz ZHXJXSTXHLLRFH-HNNXBMFYSA-N 1 2 348.878 2.218 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2Cc2cccs2)CC1 ZINC000491268489 468338833 /nfs/dbraw/zinc/33/88/33/468338833.db2.gz ZVVDRXNUQIJPLB-UHFFFAOYSA-N 1 2 329.473 2.267 20 30 EEEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078616136 463134619 /nfs/dbraw/zinc/13/46/19/463134619.db2.gz UDHKHZAFCIKJII-LPHOPBHVSA-N 1 2 340.471 2.316 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CC1 ZINC000068468204 463140514 /nfs/dbraw/zinc/14/05/14/463140514.db2.gz QDOGJIIKVQUYBW-UHFFFAOYSA-N 1 2 332.831 2.470 20 30 EEEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000123004253 463309019 /nfs/dbraw/zinc/30/90/19/463309019.db2.gz ZYYSFICNNYCZGK-UHFFFAOYSA-N 1 2 328.416 2.378 20 30 EEEDLO CCC[N@H+](CC#N)CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000123004253 463309025 /nfs/dbraw/zinc/30/90/25/463309025.db2.gz ZYYSFICNNYCZGK-UHFFFAOYSA-N 1 2 328.416 2.378 20 30 EEEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000080908095 463364838 /nfs/dbraw/zinc/36/48/38/463364838.db2.gz FAKYRFPZFAURGX-IBGZPJMESA-N 1 2 340.471 2.271 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000124554019 463437253 /nfs/dbraw/zinc/43/72/53/463437253.db2.gz YBVWMZAYLDPIFY-UHFFFAOYSA-N 1 2 348.443 2.101 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(C)Cc2ccccc2C)cc1 ZINC000071965297 463477915 /nfs/dbraw/zinc/47/79/15/463477915.db2.gz UJFOXKHKHHKNSN-UHFFFAOYSA-N 1 2 341.411 2.299 20 30 EEEDLO COc1ccc(C#N)cc1CN1CC[NH+](Cc2cc(C)no2)CC1 ZINC000162097007 463483404 /nfs/dbraw/zinc/48/34/04/463483404.db2.gz JUQOMUDIPWQQBF-UHFFFAOYSA-N 1 2 326.400 2.181 20 30 EEEDLO COc1ccc(C#N)cc1C[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000162097007 463483409 /nfs/dbraw/zinc/48/34/09/463483409.db2.gz JUQOMUDIPWQQBF-UHFFFAOYSA-N 1 2 326.400 2.181 20 30 EEEDLO Cn1cccc1[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000162472943 463513031 /nfs/dbraw/zinc/51/30/31/463513031.db2.gz AGIGJNXXUZVYNI-SFHVURJKSA-N 1 2 338.411 2.299 20 30 EEEDLO Cn1cccc1[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000162472943 463513035 /nfs/dbraw/zinc/51/30/35/463513035.db2.gz AGIGJNXXUZVYNI-SFHVURJKSA-N 1 2 338.411 2.299 20 30 EEEDLO CCC(CC)[C@@H](CNC(=O)c1cc(C#N)cs1)[NH+]1CCOCC1 ZINC000084180013 463581818 /nfs/dbraw/zinc/58/18/18/463581818.db2.gz ZZFFCEGVNWZWCM-OAHLLOKOSA-N 1 2 335.473 2.487 20 30 EEEDLO N#Cc1cccc(CS(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000126030111 463599225 /nfs/dbraw/zinc/59/92/25/463599225.db2.gz QMMUHEMHBNFWJP-HNNXBMFYSA-N 1 2 330.413 2.338 20 30 EEEDLO Cc1ccsc1CNC(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000151901383 463609497 /nfs/dbraw/zinc/60/94/97/463609497.db2.gz WTFRHJCNEVSEKZ-GFCCVEGCSA-N 1 2 327.450 2.023 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccn3)CC2)c(F)c1 ZINC000165235630 463641592 /nfs/dbraw/zinc/64/15/92/463641592.db2.gz YWXMAXRQCLUQKS-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccn3)CC2)c(F)c1 ZINC000165235630 463641597 /nfs/dbraw/zinc/64/15/97/463641597.db2.gz YWXMAXRQCLUQKS-UHFFFAOYSA-N 1 2 338.386 2.440 20 30 EEEDLO CCOC1CC(C/N=C/c2cc(OC)ccc2O)([NH+]2CCOCC2)C1 ZINC000193738492 463735223 /nfs/dbraw/zinc/73/52/23/463735223.db2.gz FIACHFNJARRUBR-DEDYPNTBSA-N 1 2 348.443 2.090 20 30 EEEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cncn3)C2)c(C#N)c1C ZINC000171618179 463893389 /nfs/dbraw/zinc/89/33/89/463893389.db2.gz GMNONJQVHAENGL-JSGCOSHPSA-N 1 2 342.403 2.024 20 30 EEEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cncn3)C2)c(C#N)c1C ZINC000171618179 463893392 /nfs/dbraw/zinc/89/33/92/463893392.db2.gz GMNONJQVHAENGL-JSGCOSHPSA-N 1 2 342.403 2.024 20 30 EEEDLO CCCC[N@H+](Cc1cc(C#N)ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000178855724 463993524 /nfs/dbraw/zinc/99/35/24/463993524.db2.gz KUWDRAWMQFYZIM-INIZCTEOSA-N 1 2 336.457 2.356 20 30 EEEDLO CCCC[N@@H+](Cc1cc(C#N)ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000178855724 463993527 /nfs/dbraw/zinc/99/35/27/463993527.db2.gz KUWDRAWMQFYZIM-INIZCTEOSA-N 1 2 336.457 2.356 20 30 EEEDLO C=C(CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000287932591 464026367 /nfs/dbraw/zinc/02/63/67/464026367.db2.gz DYWJVLLVHWIFST-SFHVURJKSA-N 1 2 329.444 2.206 20 30 EEEDLO Cn1c2ccc(CNS(=O)(=O)CC3(C#N)CC3)cc2[nH+]c1C1CC1 ZINC000289085037 464066882 /nfs/dbraw/zinc/06/68/82/464066882.db2.gz GIGBZYDYTPUQOR-UHFFFAOYSA-N 1 2 344.440 2.174 20 30 EEEDLO COc1ccc(F)cc1C[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000290570013 464124852 /nfs/dbraw/zinc/12/48/52/464124852.db2.gz UBYDILPXEMEWIT-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)Nc2ccc(OC)cc2)n1 ZINC000279749297 464141743 /nfs/dbraw/zinc/14/17/43/464141743.db2.gz QACGICXFJSEVBX-HNNXBMFYSA-N 1 2 340.427 2.374 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)Nc2ccc(OC)cc2)n1 ZINC000279749297 464141751 /nfs/dbraw/zinc/14/17/51/464141751.db2.gz QACGICXFJSEVBX-HNNXBMFYSA-N 1 2 340.427 2.374 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000263739927 464172868 /nfs/dbraw/zinc/17/28/68/464172868.db2.gz RIFLGGMFFJNGAK-UHFFFAOYSA-N 1 2 326.444 2.105 20 30 EEEDLO NC(=[NH+]OCc1ccc(I)cc1)[C@@H]1CCCO1 ZINC000284401321 464180116 /nfs/dbraw/zinc/18/01/16/464180116.db2.gz MZNFMURYPTZNLP-NSHDSACASA-N 1 2 346.168 2.259 20 30 EEEDLO C[C@H](NC(=O)[C@H](C)O[NH+]=C(N)[C@@H]1CCCO1)c1cc2ccccc2o1 ZINC000284405954 464181323 /nfs/dbraw/zinc/18/13/23/464181323.db2.gz NFYMZTOTKWWPOB-HUBLWGQQSA-N 1 2 345.399 2.466 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)o1 ZINC000263782642 464189634 /nfs/dbraw/zinc/18/96/34/464189634.db2.gz ZALFKQRHYHCKHU-UHFFFAOYSA-N 1 2 325.368 2.260 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280256544 464194889 /nfs/dbraw/zinc/19/48/89/464194889.db2.gz BUWKXZGAOANEDF-IFXJQAMLSA-N 1 2 343.427 2.155 20 30 EEEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280256544 464194894 /nfs/dbraw/zinc/19/48/94/464194894.db2.gz BUWKXZGAOANEDF-IFXJQAMLSA-N 1 2 343.427 2.155 20 30 EEEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000180094996 464240288 /nfs/dbraw/zinc/24/02/88/464240288.db2.gz INWSHAZBCVQDMR-AWEZNQCLSA-N 1 2 346.431 2.210 20 30 EEEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000180094996 464240293 /nfs/dbraw/zinc/24/02/93/464240293.db2.gz INWSHAZBCVQDMR-AWEZNQCLSA-N 1 2 346.431 2.210 20 30 EEEDLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284589300 464254054 /nfs/dbraw/zinc/25/40/54/464254054.db2.gz XUQWSOLUJSUUFY-RISCZKNCSA-N 1 2 339.823 2.327 20 30 EEEDLO N#Cc1ccc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)cc1O ZINC000188350278 464260933 /nfs/dbraw/zinc/26/09/33/464260933.db2.gz MTVVVCBTNRWDML-UHFFFAOYSA-N 1 2 337.379 2.348 20 30 EEEDLO C=CCN(CCC#N)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000292546984 464267827 /nfs/dbraw/zinc/26/78/27/464267827.db2.gz ANIOXGKZIOLJRH-UHFFFAOYSA-N 1 2 329.404 2.160 20 30 EEEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NC(=O)NCc1ccccc1 ZINC000173544933 464280854 /nfs/dbraw/zinc/28/08/54/464280854.db2.gz VEBDAMHRGYGHNK-UHFFFAOYSA-N 1 2 330.432 2.274 20 30 EEEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NC(=O)NCc1ccccc1 ZINC000173544933 464280861 /nfs/dbraw/zinc/28/08/61/464280861.db2.gz VEBDAMHRGYGHNK-UHFFFAOYSA-N 1 2 330.432 2.274 20 30 EEEDLO C=CCOc1ccc(C[N@@H+](C)Cc2nc(CCOC)no2)cc1OC ZINC000271186786 464286883 /nfs/dbraw/zinc/28/68/83/464286883.db2.gz KAXXFNWZMKVVON-UHFFFAOYSA-N 1 2 347.415 2.464 20 30 EEEDLO C=CCOc1ccc(C[N@H+](C)Cc2nc(CCOC)no2)cc1OC ZINC000271186786 464286892 /nfs/dbraw/zinc/28/68/92/464286892.db2.gz KAXXFNWZMKVVON-UHFFFAOYSA-N 1 2 347.415 2.464 20 30 EEEDLO C[C@@H]1C[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CCO1 ZINC000271229671 464289879 /nfs/dbraw/zinc/28/98/79/464289879.db2.gz SXMMVTVLCDNLOJ-OLZOCXBDSA-N 1 2 340.427 2.214 20 30 EEEDLO C=CCOc1cccc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000284790990 464342285 /nfs/dbraw/zinc/34/22/85/464342285.db2.gz LLFPEUNTAMBEKI-IAGOWNOFSA-N 1 2 331.416 2.188 20 30 EEEDLO C=CCOc1cccc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000284790990 464342290 /nfs/dbraw/zinc/34/22/90/464342290.db2.gz LLFPEUNTAMBEKI-IAGOWNOFSA-N 1 2 331.416 2.188 20 30 EEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000174223919 464379195 /nfs/dbraw/zinc/37/91/95/464379195.db2.gz ZAJXOJNPETWABK-QWHCGFSZSA-N 1 2 332.404 2.235 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC2(CC1)OCCCO2 ZINC000292960736 464379563 /nfs/dbraw/zinc/37/95/63/464379563.db2.gz JLIJPPBRZBCOJY-INIZCTEOSA-N 1 2 330.384 2.001 20 30 EEEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC(=O)Nc1ccc(F)c(F)c1 ZINC000174224627 464379712 /nfs/dbraw/zinc/37/97/12/464379712.db2.gz FEPUQFCJRTVPLI-JTQLQIEISA-N 1 2 329.347 2.253 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000293017554 464382970 /nfs/dbraw/zinc/38/29/70/464382970.db2.gz FCYRBUQVJOQBRN-UHFFFAOYSA-N 1 2 335.835 2.469 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000293017554 464382976 /nfs/dbraw/zinc/38/29/76/464382976.db2.gz FCYRBUQVJOQBRN-UHFFFAOYSA-N 1 2 335.835 2.469 20 30 EEEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)cc1 ZINC000264593514 464387491 /nfs/dbraw/zinc/38/74/91/464387491.db2.gz ZRJALAWVLYLDPW-UHFFFAOYSA-N 1 2 349.434 2.476 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2SC)OCCO3)C1=O ZINC000281319740 464412240 /nfs/dbraw/zinc/41/22/40/464412240.db2.gz RCILMDJCEMYYKO-CQSZACIVSA-N 1 2 348.468 2.398 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc3c(cc2SC)OCCO3)C1=O ZINC000281319740 464412250 /nfs/dbraw/zinc/41/22/50/464412250.db2.gz RCILMDJCEMYYKO-CQSZACIVSA-N 1 2 348.468 2.398 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2[C@H](C(=O)OC)CC[C@H]2c2ccccc2)C1=O ZINC000281390643 464436471 /nfs/dbraw/zinc/43/64/71/464436471.db2.gz PRPIYZNKWJDPFK-BBWFWOEESA-N 1 2 328.412 2.152 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2[C@H](C(=O)OC)CC[C@H]2c2ccccc2)C1=O ZINC000281390643 464436478 /nfs/dbraw/zinc/43/64/78/464436478.db2.gz PRPIYZNKWJDPFK-BBWFWOEESA-N 1 2 328.412 2.152 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245460202 464484669 /nfs/dbraw/zinc/48/46/69/464484669.db2.gz FBXBPIBMGINJLW-JPMUSVJPSA-N 1 2 349.500 2.425 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245460202 464484673 /nfs/dbraw/zinc/48/46/73/464484673.db2.gz FBXBPIBMGINJLW-JPMUSVJPSA-N 1 2 349.500 2.425 20 30 EEEDLO COc1cc(C[NH2+][C@@H](c2nccn2C)C(C)(C)CO)ccc1C#N ZINC000294975571 464667304 /nfs/dbraw/zinc/66/73/04/464667304.db2.gz GDFQIIGLFDDATB-INIZCTEOSA-N 1 2 328.416 2.150 20 30 EEEDLO CC1(C#N)CC[NH+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000272648053 464682986 /nfs/dbraw/zinc/68/29/86/464682986.db2.gz YQBALKTZIUXGMV-UHFFFAOYSA-N 1 2 340.427 2.143 20 30 EEEDLO N#CC1(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000265899948 464725094 /nfs/dbraw/zinc/72/50/94/464725094.db2.gz NIQORTTZCMAYFA-KRWDZBQOSA-N 1 2 327.428 2.230 20 30 EEEDLO N#CC1(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000265899948 464725097 /nfs/dbraw/zinc/72/50/97/464725097.db2.gz NIQORTTZCMAYFA-KRWDZBQOSA-N 1 2 327.428 2.230 20 30 EEEDLO Cc1c(-c2cc(CO[NH+]=C(N)[C@H](C)OCC(C)C)on2)cnn1C ZINC000274362457 464742994 /nfs/dbraw/zinc/74/29/94/464742994.db2.gz VXEVGPCIVJZHQM-LBPRGKRZSA-N 1 2 335.408 2.233 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000275506897 464777847 /nfs/dbraw/zinc/77/78/47/464777847.db2.gz CMLKYBZDQZCDMK-QUCCMNQESA-N 1 2 346.471 2.232 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000275506897 464777852 /nfs/dbraw/zinc/77/78/52/464777852.db2.gz CMLKYBZDQZCDMK-QUCCMNQESA-N 1 2 346.471 2.232 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000275690180 464785817 /nfs/dbraw/zinc/78/58/17/464785817.db2.gz IWIUQQZVHXVEPT-HXUWFJFHSA-N 1 2 346.471 2.364 20 30 EEEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000276069999 464796657 /nfs/dbraw/zinc/79/66/57/464796657.db2.gz UPBGNNYKGOPQEK-IPLHWJFFSA-N 1 2 347.422 2.094 20 30 EEEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000276069999 464796666 /nfs/dbraw/zinc/79/66/66/464796666.db2.gz UPBGNNYKGOPQEK-IPLHWJFFSA-N 1 2 347.422 2.094 20 30 EEEDLO C=CCCN(C)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000276297102 464881143 /nfs/dbraw/zinc/88/11/43/464881143.db2.gz QFIWCCYDMNWIAU-GOSISDBHSA-N 1 2 331.460 2.147 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C(C)(C)C(N)=O ZINC000295593251 464895997 /nfs/dbraw/zinc/89/59/97/464895997.db2.gz BRUFPZBXSFCQIV-GFCCVEGCSA-N 1 2 348.472 2.215 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C(C)(C)C(N)=O ZINC000295593251 464896001 /nfs/dbraw/zinc/89/60/01/464896001.db2.gz BRUFPZBXSFCQIV-GFCCVEGCSA-N 1 2 348.472 2.215 20 30 EEEDLO CCCC[N@H+](CC(N)=O)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000267000398 464900515 /nfs/dbraw/zinc/90/05/15/464900515.db2.gz CSRAYQDJVUUKQO-UHFFFAOYSA-N 1 2 344.459 2.138 20 30 EEEDLO CCCC[N@@H+](CC(N)=O)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000267000398 464900518 /nfs/dbraw/zinc/90/05/18/464900518.db2.gz CSRAYQDJVUUKQO-UHFFFAOYSA-N 1 2 344.459 2.138 20 30 EEEDLO C#CC[N@@H+](CN1C(=O)N[C@](C)(C2CC2)C1=O)[C@H]1CCc2ccccc21 ZINC000249707430 464905969 /nfs/dbraw/zinc/90/59/69/464905969.db2.gz PXXBLXXVNUJTAP-FXAWDEMLSA-N 1 2 337.423 2.287 20 30 EEEDLO C#CC[N@H+](CN1C(=O)N[C@](C)(C2CC2)C1=O)[C@H]1CCc2ccccc21 ZINC000249707430 464905973 /nfs/dbraw/zinc/90/59/73/464905973.db2.gz PXXBLXXVNUJTAP-FXAWDEMLSA-N 1 2 337.423 2.287 20 30 EEEDLO Cn1ncc2c1CCC[C@@H]2NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000330000032 465502047 /nfs/dbraw/zinc/50/20/47/465502047.db2.gz VUWFIXJHBJSELH-DOTOQJQBSA-N 1 2 332.448 2.397 20 30 EEEDLO Cn1ncc2c1CCC[C@@H]2NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000330000032 465502052 /nfs/dbraw/zinc/50/20/52/465502052.db2.gz VUWFIXJHBJSELH-DOTOQJQBSA-N 1 2 332.448 2.397 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1C(=O)OCC ZINC000184540334 464993399 /nfs/dbraw/zinc/99/33/99/464993399.db2.gz IBJRBSLKPQULGR-IRXDYDNUSA-N 1 2 333.428 2.182 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1C(=O)OCC ZINC000184540334 464993401 /nfs/dbraw/zinc/99/34/01/464993401.db2.gz IBJRBSLKPQULGR-IRXDYDNUSA-N 1 2 333.428 2.182 20 30 EEEDLO CCCCC[N@H+](CC(N)=O)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192771269 464993476 /nfs/dbraw/zinc/99/34/76/464993476.db2.gz QXEMLFUUXQSQHF-KRWDZBQOSA-N 1 2 342.443 2.031 20 30 EEEDLO CCCCC[N@@H+](CC(N)=O)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192771269 464993481 /nfs/dbraw/zinc/99/34/81/464993481.db2.gz QXEMLFUUXQSQHF-KRWDZBQOSA-N 1 2 342.443 2.031 20 30 EEEDLO C[C@@H](c1nccs1)N1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000184603094 465006530 /nfs/dbraw/zinc/00/65/30/465006530.db2.gz SGLBNRYBWVGZRP-YOEHRIQHSA-N 1 2 342.468 2.427 20 30 EEEDLO N#Cc1ccc(F)cc1C[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000268301716 465011481 /nfs/dbraw/zinc/01/14/81/465011481.db2.gz MXORCLOIDFSFPT-UHFFFAOYSA-N 1 2 338.386 2.118 20 30 EEEDLO O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329410629 465325248 /nfs/dbraw/zinc/32/52/48/465325248.db2.gz BPKYRCSVZTZQPT-NWDGAFQWSA-N 1 2 330.354 2.286 20 30 EEEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356372605 465342856 /nfs/dbraw/zinc/34/28/56/465342856.db2.gz YJKYTMPOCFLJCU-INIZCTEOSA-N 1 2 344.459 2.201 20 30 EEEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356372605 465342860 /nfs/dbraw/zinc/34/28/60/465342860.db2.gz YJKYTMPOCFLJCU-INIZCTEOSA-N 1 2 344.459 2.201 20 30 EEEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000342941549 465403817 /nfs/dbraw/zinc/40/38/17/465403817.db2.gz YICFZRJAUZPSLN-CQSZACIVSA-N 1 2 328.416 2.120 20 30 EEEDLO C[C@H]1C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1O ZINC000351950699 465460695 /nfs/dbraw/zinc/46/06/95/465460695.db2.gz GYBDSTQLJBWWEN-SMDDNHRTSA-N 1 2 333.457 2.140 20 30 EEEDLO C[C@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1O ZINC000351950699 465460698 /nfs/dbraw/zinc/46/06/98/465460698.db2.gz GYBDSTQLJBWWEN-SMDDNHRTSA-N 1 2 333.457 2.140 20 30 EEEDLO COc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)cc1OC ZINC000352489752 465533940 /nfs/dbraw/zinc/53/39/40/465533940.db2.gz CKUXSFAVTXJUOW-CYBMUJFWSA-N 1 2 349.406 2.036 20 30 EEEDLO CC[C@]1(O)CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000330277794 465595195 /nfs/dbraw/zinc/59/51/95/465595195.db2.gz OUIVWKFIPLZEOZ-UGSOOPFHSA-N 1 2 334.464 2.256 20 30 EEEDLO COc1ccc(C#N)cc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000353042952 465598463 /nfs/dbraw/zinc/59/84/63/465598463.db2.gz QGLVPTMLORCART-UHFFFAOYSA-N 1 2 339.399 2.464 20 30 EEEDLO O=C(NC[C@H]1CCCO1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000330324803 465613638 /nfs/dbraw/zinc/61/36/38/465613638.db2.gz ITXNUMURICFWQE-MRXNPFEDSA-N 1 2 332.448 2.492 20 30 EEEDLO CCN1CCN(C(=O)Nc2ccc(OC)c(F)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330352265 465625748 /nfs/dbraw/zinc/62/57/48/465625748.db2.gz NDUPQVNKAZUIJR-CQSZACIVSA-N 1 2 347.394 2.482 20 30 EEEDLO C[NH+]1CCN(S(=O)(=O)c2cccc(-c3ccc(C#N)cc3)c2)CC1 ZINC000593952590 468443733 /nfs/dbraw/zinc/44/37/33/468443733.db2.gz LXYKDZDWCYVGDH-UHFFFAOYSA-N 1 2 341.436 2.161 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000353163204 465685621 /nfs/dbraw/zinc/68/56/21/465685621.db2.gz CAKXEYFMNNZQPT-FZKQIMNGSA-N 1 2 331.416 2.030 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000353163204 465685628 /nfs/dbraw/zinc/68/56/28/465685628.db2.gz CAKXEYFMNNZQPT-FZKQIMNGSA-N 1 2 331.416 2.030 20 30 EEEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)CCC2 ZINC000371291185 465690916 /nfs/dbraw/zinc/69/09/16/465690916.db2.gz XRCCWVIGPSZUEM-LBPRGKRZSA-N 1 2 348.403 2.058 20 30 EEEDLO CC(C)(C)CCS(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000330765878 465796285 /nfs/dbraw/zinc/79/62/85/465796285.db2.gz QKDFEEZULAVBIC-UHFFFAOYSA-N 1 2 349.500 2.442 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccc(Br)o1 ZINC000345804427 465905189 /nfs/dbraw/zinc/90/51/89/465905189.db2.gz ZTERKWWOXSUXHL-JTQLQIEISA-N 1 2 340.221 2.425 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccc(Br)o1 ZINC000345804427 465905197 /nfs/dbraw/zinc/90/51/97/465905197.db2.gz ZTERKWWOXSUXHL-JTQLQIEISA-N 1 2 340.221 2.425 20 30 EEEDLO Cn1cc[nH+]c1-c1cccc(NS(=O)(=O)c2cncc(C#N)c2)c1 ZINC000357376822 465989047 /nfs/dbraw/zinc/98/90/47/465989047.db2.gz WYNPCYMTPKTRGU-UHFFFAOYSA-N 1 2 339.380 2.155 20 30 EEEDLO C=CCn1c(C)cc(C(=O)CN2CCN(Cc3[nH]cc[nH+]3)CC2)c1C ZINC000357734621 466216208 /nfs/dbraw/zinc/21/62/08/466216208.db2.gz GIIBCBHOUJRVBC-UHFFFAOYSA-N 1 2 341.459 2.015 20 30 EEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000580657741 468481548 /nfs/dbraw/zinc/48/15/48/468481548.db2.gz WYJBWACNZLDTBT-KRWDZBQOSA-N 1 2 329.444 2.133 20 30 EEEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000363289761 466328056 /nfs/dbraw/zinc/32/80/56/466328056.db2.gz XQUDVZXXNFLEMP-IRXDYDNUSA-N 1 2 333.395 2.294 20 30 EEEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000363289761 466328062 /nfs/dbraw/zinc/32/80/62/466328062.db2.gz XQUDVZXXNFLEMP-IRXDYDNUSA-N 1 2 333.395 2.294 20 30 EEEDLO C=CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)OC)[C@@H]2C(=O)OC)c1 ZINC000354034009 466333122 /nfs/dbraw/zinc/33/31/22/466333122.db2.gz OGEHFHYTPDUCOJ-DLBZAZTESA-N 1 2 347.411 2.178 20 30 EEEDLO C=CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)OC)[C@@H]2C(=O)OC)c1 ZINC000354034009 466333126 /nfs/dbraw/zinc/33/31/26/466333126.db2.gz OGEHFHYTPDUCOJ-DLBZAZTESA-N 1 2 347.411 2.178 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000372601455 466500776 /nfs/dbraw/zinc/50/07/76/466500776.db2.gz SMSSWQULDYJMPS-QGZVFWFLSA-N 1 2 337.489 2.453 20 30 EEEDLO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000581938735 468500691 /nfs/dbraw/zinc/50/06/91/468500691.db2.gz RHGMUGWZYNHAKO-AWEZNQCLSA-N 1 2 348.472 2.297 20 30 EEEDLO CC[C@@H]1CN(C(=O)[C@]2(C#N)CC23CCCC3)C[C@H]1[NH+]1CCOCC1 ZINC000333530873 466622477 /nfs/dbraw/zinc/62/24/77/466622477.db2.gz IZFLWVZZCUSUKB-GPMSIDNRSA-N 1 2 331.460 2.030 20 30 EEEDLO N#Cc1ccc(OCCC[N@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000368569972 466673446 /nfs/dbraw/zinc/67/34/46/466673446.db2.gz YRZFPFSSQKBMGB-AWEZNQCLSA-N 1 2 327.388 2.030 20 30 EEEDLO N#Cc1ccc(OCCC[N@@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000368569972 466673448 /nfs/dbraw/zinc/67/34/48/466673448.db2.gz YRZFPFSSQKBMGB-AWEZNQCLSA-N 1 2 327.388 2.030 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000368909908 466706112 /nfs/dbraw/zinc/70/61/12/466706112.db2.gz KAKIXVXOYYGMLF-INIZCTEOSA-N 1 2 347.459 2.241 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000368909908 466706118 /nfs/dbraw/zinc/70/61/18/466706118.db2.gz KAKIXVXOYYGMLF-INIZCTEOSA-N 1 2 347.459 2.241 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000366062696 467045508 /nfs/dbraw/zinc/04/55/08/467045508.db2.gz SLOFPIJQLSCVTP-UHFFFAOYSA-N 1 2 335.492 2.204 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000366062696 467045513 /nfs/dbraw/zinc/04/55/13/467045513.db2.gz SLOFPIJQLSCVTP-UHFFFAOYSA-N 1 2 335.492 2.204 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)CCCCC1 ZINC000377773599 467137688 /nfs/dbraw/zinc/13/76/88/467137688.db2.gz XNZXLXAGGADVKQ-RDJZCZTQSA-N 1 2 331.460 2.363 20 30 EEEDLO N#CC1(NC(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)CCCCC1 ZINC000377773599 467137692 /nfs/dbraw/zinc/13/76/92/467137692.db2.gz XNZXLXAGGADVKQ-RDJZCZTQSA-N 1 2 331.460 2.363 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)CC1(CC#N)CC1 ZINC000450993104 467222641 /nfs/dbraw/zinc/22/26/41/467222641.db2.gz TWFXKOZLLMTVOL-UHFFFAOYSA-N 1 2 346.456 2.348 20 30 EEEDLO C=CCC[C@H]1NC(=O)N(CCc2[nH+]ccn2Cc2ccccc2)C1=O ZINC000419921384 467268638 /nfs/dbraw/zinc/26/86/38/467268638.db2.gz HZAMYSWUDBFNKI-MRXNPFEDSA-N 1 2 338.411 2.361 20 30 EEEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000428860502 467276200 /nfs/dbraw/zinc/27/62/00/467276200.db2.gz HKBWBCPXPXSJID-UHFFFAOYSA-N 1 2 334.807 2.169 20 30 EEEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000428860502 467276205 /nfs/dbraw/zinc/27/62/05/467276205.db2.gz HKBWBCPXPXSJID-UHFFFAOYSA-N 1 2 334.807 2.169 20 30 EEEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452336579 467349885 /nfs/dbraw/zinc/34/98/85/467349885.db2.gz VZGUFNNQOAOOAZ-KRWDZBQOSA-N 1 2 332.404 2.420 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)COc1cc(Br)ccc1F ZINC000414140391 467381759 /nfs/dbraw/zinc/38/17/59/467381759.db2.gz GVSYZCCMDCNAIB-NSHDSACASA-N 1 2 331.185 2.173 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cc(Br)ccc1F ZINC000414140391 467381760 /nfs/dbraw/zinc/38/17/60/467381760.db2.gz GVSYZCCMDCNAIB-NSHDSACASA-N 1 2 331.185 2.173 20 30 EEEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000408155728 467519458 /nfs/dbraw/zinc/51/94/58/467519458.db2.gz SYRXHFCDGVZKQA-NWDGAFQWSA-N 1 2 341.864 2.315 20 30 EEEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000408155728 467519459 /nfs/dbraw/zinc/51/94/59/467519459.db2.gz SYRXHFCDGVZKQA-NWDGAFQWSA-N 1 2 341.864 2.315 20 30 EEEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000443906498 467581222 /nfs/dbraw/zinc/58/12/22/467581222.db2.gz HJQAYWWVIUKNET-UHFFFAOYSA-N 1 2 331.397 2.103 20 30 EEEDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000444780456 467583452 /nfs/dbraw/zinc/58/34/52/467583452.db2.gz FGZBVZJICKFXBB-YJBOKZPZSA-N 1 2 337.464 2.192 20 30 EEEDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000444780456 467583454 /nfs/dbraw/zinc/58/34/54/467583454.db2.gz FGZBVZJICKFXBB-YJBOKZPZSA-N 1 2 337.464 2.192 20 30 EEEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@]3(C#N)C[C@@H]3C)CC2)c1 ZINC000448916555 467605578 /nfs/dbraw/zinc/60/55/78/467605578.db2.gz YBZHKQQPPZTHPA-DOXZYTNZSA-N 1 2 327.428 2.450 20 30 EEEDLO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000449407680 467639494 /nfs/dbraw/zinc/63/94/94/467639494.db2.gz FOVPMMIOOUIBAG-XMMPIXPASA-N 1 2 348.468 2.143 20 30 EEEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000525893587 467645645 /nfs/dbraw/zinc/64/56/45/467645645.db2.gz HDHRDQPTVWHNMX-INIZCTEOSA-N 1 2 337.427 2.273 20 30 EEEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000525893587 467645650 /nfs/dbraw/zinc/64/56/50/467645650.db2.gz HDHRDQPTVWHNMX-INIZCTEOSA-N 1 2 337.427 2.273 20 30 EEEDLO Cc1nc(NCc2cccc(C(=O)NCC(C)(C)CC#N)c2)cc[nH+]1 ZINC000457994159 467747556 /nfs/dbraw/zinc/74/75/56/467747556.db2.gz OADPSIZZVXNBJT-UHFFFAOYSA-N 1 2 337.427 3.067 20 30 EEEDLO C=C(C)COCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450137422 467785221 /nfs/dbraw/zinc/78/52/21/467785221.db2.gz RWWFTNFWXOFWSO-UHFFFAOYSA-N 1 2 330.344 2.103 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000530336967 467977160 /nfs/dbraw/zinc/97/71/60/467977160.db2.gz WGHMKKRLWMIDEU-HNNXBMFYSA-N 1 2 349.438 2.181 20 30 EEEDLO CCOC(=O)N(C)C1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000493936035 468007106 /nfs/dbraw/zinc/00/71/06/468007106.db2.gz VDTQVTIOWIZZAS-UHFFFAOYSA-N 1 2 344.415 2.049 20 30 EEEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3ccc(C#N)c(F)c3)cn2c1 ZINC000489124205 468121316 /nfs/dbraw/zinc/12/13/16/468121316.db2.gz BISJWSAWJREFMJ-UHFFFAOYSA-N 1 2 344.371 2.132 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(Oc2ccncc2)c1 ZINC000518758875 468125191 /nfs/dbraw/zinc/12/51/91/468125191.db2.gz GSRBOQCLNNKGJN-MRXNPFEDSA-N 1 2 326.400 2.492 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(Oc2ccncc2)c1 ZINC000518758875 468125194 /nfs/dbraw/zinc/12/51/94/468125194.db2.gz GSRBOQCLNNKGJN-MRXNPFEDSA-N 1 2 326.400 2.492 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000574997539 468134925 /nfs/dbraw/zinc/13/49/25/468134925.db2.gz RUHAVGCNKKMZAZ-QRVBRYPASA-N 1 2 344.455 2.076 20 30 EEEDLO C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000575992049 468157937 /nfs/dbraw/zinc/15/79/37/468157937.db2.gz NLNAHSZBMPYJIA-ABAIWWIYSA-N 1 2 343.349 2.433 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]c4cccnc34)CC2)cc1 ZINC000590410340 468249406 /nfs/dbraw/zinc/24/94/06/468249406.db2.gz LNRYVJIDLAJION-UHFFFAOYSA-N 1 2 345.406 2.393 20 30 EEEDLO C#CCN(CC#CC)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000490779480 468250552 /nfs/dbraw/zinc/25/05/52/468250552.db2.gz WZQYDQVXOBZGKV-UHFFFAOYSA-N 1 2 334.423 2.294 20 30 EEEDLO C=CCn1cc(CNC(=O)N2CCCC[C@H]2c2[nH+]ccn2CC)nn1 ZINC000569717256 468534123 /nfs/dbraw/zinc/53/41/23/468534123.db2.gz ZTAPYZBYDDTEGV-HNNXBMFYSA-N 1 2 343.435 2.117 20 30 EEEDLO C[C@@H](CC#N)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000597546628 468594762 /nfs/dbraw/zinc/59/47/62/468594762.db2.gz VVBIISKWOWTGST-LSDHHAIUSA-N 1 2 328.416 2.211 20 30 EEEDLO CC(C)C[C@H](NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592147451 468638404 /nfs/dbraw/zinc/63/84/04/468638404.db2.gz MAQMTEQJOIZUNQ-PKOBYXMFSA-N 1 2 329.444 2.240 20 30 EEEDLO CC(C)C[C@H](NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592147451 468638407 /nfs/dbraw/zinc/63/84/07/468638407.db2.gz MAQMTEQJOIZUNQ-PKOBYXMFSA-N 1 2 329.444 2.240 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000592151647 468640173 /nfs/dbraw/zinc/64/01/73/468640173.db2.gz PABWPSSULDELCC-LJQANCHMSA-N 1 2 340.402 2.351 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000592151647 468640177 /nfs/dbraw/zinc/64/01/77/468640177.db2.gz PABWPSSULDELCC-LJQANCHMSA-N 1 2 340.402 2.351 20 30 EEEDLO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000600828634 468667177 /nfs/dbraw/zinc/66/71/77/468667177.db2.gz CIRADQQXXYPGMS-RLFYNMQTSA-N 1 2 346.450 2.311 20 30 EEEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC[N@@H+](C)CC1 ZINC000594745068 468671374 /nfs/dbraw/zinc/67/13/74/468671374.db2.gz UOVBAEDMCLPUJH-UHFFFAOYSA-N 1 2 349.481 2.408 20 30 EEEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC[N@H+](C)CC1 ZINC000594745068 468671376 /nfs/dbraw/zinc/67/13/76/468671376.db2.gz UOVBAEDMCLPUJH-UHFFFAOYSA-N 1 2 349.481 2.408 20 30 EEEDLO CN(Cc1c[nH+]c[nH]1)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000597863252 468697477 /nfs/dbraw/zinc/69/74/77/468697477.db2.gz MFBYCBXMTYKNPE-UHFFFAOYSA-N 1 2 325.372 2.049 20 30 EEEDLO CN(Cc1c[nH]c[nH+]1)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000597863252 468697483 /nfs/dbraw/zinc/69/74/83/468697483.db2.gz MFBYCBXMTYKNPE-UHFFFAOYSA-N 1 2 325.372 2.049 20 30 EEEDLO Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000570899354 468709503 /nfs/dbraw/zinc/70/95/03/468709503.db2.gz VADHNOALQCCDSL-SFHVURJKSA-N 1 2 333.480 2.049 20 30 EEEDLO CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000571408603 468784980 /nfs/dbraw/zinc/78/49/80/468784980.db2.gz VBPRJBSGWFSAPA-SJCJKPOMSA-N 1 2 348.472 2.086 20 30 EEEDLO CCN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)[C@@H](C)C#N ZINC000598356619 468841701 /nfs/dbraw/zinc/84/17/01/468841701.db2.gz SKICNIGLRVZWFR-AWEZNQCLSA-N 1 2 339.399 2.286 20 30 EEEDLO Cc1cncc(CC[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)n1 ZINC000593020911 468842190 /nfs/dbraw/zinc/84/21/90/468842190.db2.gz HSAZRYPNZSJQIJ-IBGZPJMESA-N 1 2 339.418 2.349 20 30 EEEDLO CC[N@H+](CCCNC(=O)N1CCN(CCC#N)CC1)c1ccccc1 ZINC000601554568 468916276 /nfs/dbraw/zinc/91/62/76/468916276.db2.gz YLWQFVODWRSYJE-UHFFFAOYSA-N 1 2 343.475 2.144 20 30 EEEDLO CC[N@@H+](CCCNC(=O)N1CCN(CCC#N)CC1)c1ccccc1 ZINC000601554568 468916278 /nfs/dbraw/zinc/91/62/78/468916278.db2.gz YLWQFVODWRSYJE-UHFFFAOYSA-N 1 2 343.475 2.144 20 30 EEEDLO N#CC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000595620297 468925881 /nfs/dbraw/zinc/92/58/81/468925881.db2.gz LOVIGYMFDMJLIM-CZUORRHYSA-N 1 2 328.372 2.326 20 30 EEEDLO N#CC[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000595620297 468925882 /nfs/dbraw/zinc/92/58/82/468925882.db2.gz LOVIGYMFDMJLIM-CZUORRHYSA-N 1 2 328.372 2.326 20 30 EEEDLO CC[C@H](C#N)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000593424849 468973157 /nfs/dbraw/zinc/97/31/57/468973157.db2.gz SRKKPPLCAAYCAI-CYBMUJFWSA-N 1 2 345.834 2.182 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602695731 469017286 /nfs/dbraw/zinc/01/72/86/469017286.db2.gz HGDCYHHEVNMQAM-CYBMUJFWSA-N 1 2 329.278 2.464 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602695731 469017290 /nfs/dbraw/zinc/01/72/90/469017290.db2.gz HGDCYHHEVNMQAM-CYBMUJFWSA-N 1 2 329.278 2.464 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccnc(SCC(F)(F)F)c1 ZINC000573253985 469092482 /nfs/dbraw/zinc/09/24/82/469092482.db2.gz MJPUALSRFJDVAH-ZDUSSCGKSA-N 1 2 346.378 2.310 20 30 EEEDLO CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(CCC#N)CC2)c1 ZINC000611174328 469181569 /nfs/dbraw/zinc/18/15/69/469181569.db2.gz HCBXIMJEOYVMGH-CQSZACIVSA-N 1 2 332.473 2.267 20 30 EEEDLO N#Cc1cnnc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c1 ZINC000596186698 469191926 /nfs/dbraw/zinc/19/19/26/469191926.db2.gz UXXBEYFGWMLIOX-UHFFFAOYSA-N 1 2 330.395 2.350 20 30 EEEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000599309032 469204260 /nfs/dbraw/zinc/20/42/60/469204260.db2.gz CVDZAPMZMVGPHL-HOTGVXAUSA-N 1 2 346.427 2.104 20 30 EEEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000599309032 469204265 /nfs/dbraw/zinc/20/42/65/469204265.db2.gz CVDZAPMZMVGPHL-HOTGVXAUSA-N 1 2 346.427 2.104 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CCC[C@](C)(C#N)C2)cc1 ZINC000602136179 469210066 /nfs/dbraw/zinc/21/00/66/469210066.db2.gz QXKCXGHESQEIOL-IEBWSBKVSA-N 1 2 327.428 2.422 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CCC[C@](C)(C#N)C2)cc1 ZINC000602136179 469210072 /nfs/dbraw/zinc/21/00/72/469210072.db2.gz QXKCXGHESQEIOL-IEBWSBKVSA-N 1 2 327.428 2.422 20 30 EEEDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2cc(C#N)ncn2)c2ccc(Cl)cc2)C1 ZINC000573902239 469226493 /nfs/dbraw/zinc/22/64/93/469226493.db2.gz CMSLVTVDCXMTRC-RDJZCZTQSA-N 1 2 343.818 2.485 20 30 EEEDLO C[N@H+]1CCO[C@H]([C@@H](Nc2cc(C#N)ncn2)c2ccc(Cl)cc2)C1 ZINC000573902239 469226499 /nfs/dbraw/zinc/22/64/99/469226499.db2.gz CMSLVTVDCXMTRC-RDJZCZTQSA-N 1 2 343.818 2.485 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@@](F)(C#N)C1)c1ccccc1 ZINC000615531351 469255980 /nfs/dbraw/zinc/25/59/80/469255980.db2.gz KIOWHDWEOWXLIS-RHSMWYFYSA-N 1 2 327.363 2.157 20 30 EEEDLO N#Cc1cccc(OCCCn2cc(C[NH+]3CCSCC3)nn2)c1 ZINC000603243150 469321324 /nfs/dbraw/zinc/32/13/24/469321324.db2.gz STFJDYVCHBZRGK-UHFFFAOYSA-N 1 2 343.456 2.168 20 30 EEEDLO CO[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000596657925 469324911 /nfs/dbraw/zinc/32/49/11/469324911.db2.gz CYZYSEILWPIZNL-LJQANCHMSA-N 1 2 341.455 2.408 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000616132531 469378031 /nfs/dbraw/zinc/37/80/31/469378031.db2.gz NYWGVCUUXYKFQY-LSDHHAIUSA-N 1 2 344.434 2.287 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000616132531 469378037 /nfs/dbraw/zinc/37/80/37/469378037.db2.gz NYWGVCUUXYKFQY-LSDHHAIUSA-N 1 2 344.434 2.287 20 30 EEEDLO N#CC1(c2ccccn2)CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000619699085 469666366 /nfs/dbraw/zinc/66/63/66/469666366.db2.gz IQVHYMDAMDHFMM-UHFFFAOYSA-N 1 2 331.383 2.119 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000609485335 469931570 /nfs/dbraw/zinc/93/15/70/469931570.db2.gz NPNCIDHCLAESBD-FPQWYMTMSA-N 1 2 334.508 2.236 20 30 EEEDLO Cc1nccc([C@H]2CCC[N@@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)n1 ZINC000609671596 469953741 /nfs/dbraw/zinc/95/37/41/469953741.db2.gz IXKAXXFSEBTQIE-FUHWJXTLSA-N 1 2 335.411 2.063 20 30 EEEDLO Cc1nccc([C@H]2CCC[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)n1 ZINC000609671596 469953745 /nfs/dbraw/zinc/95/37/45/469953745.db2.gz IXKAXXFSEBTQIE-FUHWJXTLSA-N 1 2 335.411 2.063 20 30 EEEDLO CC(C)C[C@H](C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000609793168 469961262 /nfs/dbraw/zinc/96/12/62/469961262.db2.gz SPITYYOOTUJEHW-NVXWUHKLSA-N 1 2 346.450 2.391 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccccc2SC)nn1 ZINC000640823436 471047920 /nfs/dbraw/zinc/04/79/20/471047920.db2.gz HBZPMUCVYXDWSD-CYBMUJFWSA-N 1 2 343.456 2.313 20 30 EEEDLO C=CCNC(=O)[C@@H](C)n1cc(Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000640883757 471092566 /nfs/dbraw/zinc/09/25/66/471092566.db2.gz NFXLRGCYKLWQCI-CQSZACIVSA-N 1 2 338.415 2.156 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)nn1 ZINC000657429405 471134723 /nfs/dbraw/zinc/13/47/23/471134723.db2.gz SWIOLVQVFAMCNK-OAHLLOKOSA-N 1 2 333.823 2.214 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCn2c[nH+]cc2C1 ZINC000660580840 471401362 /nfs/dbraw/zinc/40/13/62/471401362.db2.gz PCRJTYCWKVJWIU-AWEZNQCLSA-N 1 2 330.457 2.364 20 30 EEEDLO C=CC[N@H+](Cc1nc(N)nc(Nc2ccc(F)cc2)n1)[C@@H](C)COC ZINC000661243765 471686501 /nfs/dbraw/zinc/68/65/01/471686501.db2.gz MTLKSDLSVUHEOU-LBPRGKRZSA-N 1 2 346.410 2.359 20 30 EEEDLO C=CC[N@@H+](Cc1nc(N)nc(Nc2ccc(F)cc2)n1)[C@@H](C)COC ZINC000661243765 471686509 /nfs/dbraw/zinc/68/65/09/471686509.db2.gz MTLKSDLSVUHEOU-LBPRGKRZSA-N 1 2 346.410 2.359 20 30 EEEDLO C=CCN1CC[C@H]([NH2+][C@@H](CO)c2cccc(Cl)c2Cl)C1=O ZINC000662052424 471969951 /nfs/dbraw/zinc/96/99/51/471969951.db2.gz RITDRGRUWWFQFE-STQMWFEESA-N 1 2 329.227 2.403 20 30 EEEDLO C=CCN1CC[C@H]([NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)C1=O ZINC000685001477 486060832 /nfs/dbraw/zinc/06/08/32/486060832.db2.gz JDSIOEVBQTZNHD-GUBZILKMSA-N 1 2 330.272 2.446 20 30 EEEDLO CCC#C[C@@H](C)[NH+]1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000677047466 486367734 /nfs/dbraw/zinc/36/77/34/486367734.db2.gz BNLVCFZXEPUAMT-IEBWSBKVSA-N 1 2 325.456 2.211 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nccs2)[C@@H]1CC ZINC001087729566 782142174 /nfs/dbraw/zinc/14/21/74/782142174.db2.gz JSXCIYGPTLORKR-BARDWOONSA-N 1 2 335.473 2.203 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nccs2)[C@@H]1CC ZINC001087729566 782142176 /nfs/dbraw/zinc/14/21/76/782142176.db2.gz JSXCIYGPTLORKR-BARDWOONSA-N 1 2 335.473 2.203 20 30 EEEDLO N#CC(CC[N@@H+]1CCO[C@H](C(N)=O)C1)(c1ccccc1)c1ccccc1 ZINC000191466802 534542311 /nfs/dbraw/zinc/54/23/11/534542311.db2.gz UHKARCUKYGODAL-IBGZPJMESA-N 1 2 349.434 2.072 20 30 EEEDLO N#CC(CC[N@H+]1CCO[C@H](C(N)=O)C1)(c1ccccc1)c1ccccc1 ZINC000191466802 534542318 /nfs/dbraw/zinc/54/23/18/534542318.db2.gz UHKARCUKYGODAL-IBGZPJMESA-N 1 2 349.434 2.072 20 30 EEEDLO C=CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361479 526336105 /nfs/dbraw/zinc/33/61/05/526336105.db2.gz BCTVNNBNYMEYNB-GOSISDBHSA-N 1 2 347.484 2.212 20 30 EEEDLO C=CC[N@H+](Cc1ccc(N(C)CCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361479 526336111 /nfs/dbraw/zinc/33/61/11/526336111.db2.gz BCTVNNBNYMEYNB-GOSISDBHSA-N 1 2 347.484 2.212 20 30 EEEDLO C#CCCCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000159035985 526700304 /nfs/dbraw/zinc/70/03/04/526700304.db2.gz ZERRXJCAKQOXRF-OAHLLOKOSA-N 1 2 335.473 2.224 20 30 EEEDLO C#CC[NH+](CC#C)CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000174051504 526845258 /nfs/dbraw/zinc/84/52/58/526845258.db2.gz GNFJITXJLQJASY-UHFFFAOYSA-N 1 2 331.419 2.352 20 30 EEEDLO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105298855 526905242 /nfs/dbraw/zinc/90/52/42/526905242.db2.gz IAJSQFSKJAHYTM-HOTGVXAUSA-N 1 2 347.434 2.080 20 30 EEEDLO CCCC[N@H+](Cc1ccc(C#N)cc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000179664106 528442129 /nfs/dbraw/zinc/44/21/29/528442129.db2.gz ZHWDTNQUPRDNOZ-INIZCTEOSA-N 1 2 336.457 2.356 20 30 EEEDLO CCCC[N@@H+](Cc1ccc(C#N)cc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000179664106 528442132 /nfs/dbraw/zinc/44/21/32/528442132.db2.gz ZHWDTNQUPRDNOZ-INIZCTEOSA-N 1 2 336.457 2.356 20 30 EEEDLO S=C(NCC1CCC1)N[NH+]=Cc1ccc(N2CCOCC2)s1 ZINC000727653316 576442500 /nfs/dbraw/zinc/44/25/00/576442500.db2.gz JETPYDKWJDAPOH-UHFFFAOYSA-N 1 2 338.502 2.183 20 30 EEEDLO C=CCn1nnn(C[N@@H+]2CCCc3cc(OC)ccc3C2)c1=S ZINC000728562697 576507611 /nfs/dbraw/zinc/50/76/11/576507611.db2.gz DCZDLYVXEASXTI-UHFFFAOYSA-N 1 2 331.445 2.410 20 30 EEEDLO C=CCn1nnn(C[N@H+]2CCCc3cc(OC)ccc3C2)c1=S ZINC000728562697 576507612 /nfs/dbraw/zinc/50/76/12/576507612.db2.gz DCZDLYVXEASXTI-UHFFFAOYSA-N 1 2 331.445 2.410 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2cn3cccnc3n2)c1 ZINC000732060129 577146000 /nfs/dbraw/zinc/14/60/00/577146000.db2.gz MQEPTPXXZSBVIC-SFHVURJKSA-N 1 2 345.406 2.432 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2cn3cccnc3n2)c1 ZINC000732060129 577146004 /nfs/dbraw/zinc/14/60/04/577146004.db2.gz MQEPTPXXZSBVIC-SFHVURJKSA-N 1 2 345.406 2.432 20 30 EEEDLO Cn1cc(Cl)cc1C[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766631741 577522401 /nfs/dbraw/zinc/52/24/01/577522401.db2.gz ISMMCDGHDNDPJK-UHFFFAOYSA-N 1 2 330.819 2.290 20 30 EEEDLO Cn1cc(Cl)cc1C[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766631741 577522402 /nfs/dbraw/zinc/52/24/02/577522402.db2.gz ISMMCDGHDNDPJK-UHFFFAOYSA-N 1 2 330.819 2.290 20 30 EEEDLO C[C@@]1(c2ccccc2)NC(=O)N(N=Cc2cccc3[nH+]ccn32)C1=O ZINC000771086996 577609584 /nfs/dbraw/zinc/60/95/84/577609584.db2.gz BYWOTLHZRKSFGA-SFHVURJKSA-N 1 2 333.351 2.135 20 30 EEEDLO C#CCNC(=S)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000758194221 577618117 /nfs/dbraw/zinc/61/81/17/577618117.db2.gz UNNRHRNWHCCXAF-UHFFFAOYSA-N 1 2 336.464 2.242 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000754118076 577800740 /nfs/dbraw/zinc/80/07/40/577800740.db2.gz HOTINQUXKIOXPB-PWSUYJOCSA-N 1 2 328.376 2.129 20 30 EEEDLO C#CCOCCC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000755441065 577825190 /nfs/dbraw/zinc/82/51/90/577825190.db2.gz RUSMAWDWKWFRGS-INIZCTEOSA-N 1 2 331.803 2.319 20 30 EEEDLO CC1(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)COC1 ZINC000742356886 577871579 /nfs/dbraw/zinc/87/15/79/577871579.db2.gz JJZIADIMFYZSMV-UHFFFAOYSA-N 1 2 327.384 2.334 20 30 EEEDLO CC(C)[C@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)CCS1 ZINC000744422777 577897538 /nfs/dbraw/zinc/89/75/38/577897538.db2.gz TYFHBSNRMKMCNZ-MRXNPFEDSA-N 1 2 342.468 2.493 20 30 EEEDLO CC(C)[C@H]1C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)CCS1 ZINC000744422777 577897539 /nfs/dbraw/zinc/89/75/39/577897539.db2.gz TYFHBSNRMKMCNZ-MRXNPFEDSA-N 1 2 342.468 2.493 20 30 EEEDLO CC[NH+](CC)[C@H](C(=O)O[C@@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000744998391 577906511 /nfs/dbraw/zinc/90/65/11/577906511.db2.gz RSYQMLCMPCJDKN-RDJZCZTQSA-N 1 2 345.443 2.373 20 30 EEEDLO C[C@@H](Cc1ccc(F)cc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000749385806 577975585 /nfs/dbraw/zinc/97/55/85/577975585.db2.gz ZGAHHVLZLCHYON-INIZCTEOSA-N 1 2 347.434 2.079 20 30 EEEDLO N#CCCNC(=O)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000749465891 577976957 /nfs/dbraw/zinc/97/69/57/577976957.db2.gz IAGZBZGOCXJPBI-JTQLQIEISA-N 1 2 346.378 2.371 20 30 EEEDLO N#CCCNC(=O)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000749465891 577976958 /nfs/dbraw/zinc/97/69/58/577976958.db2.gz IAGZBZGOCXJPBI-JTQLQIEISA-N 1 2 346.378 2.371 20 30 EEEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC000969515188 675081740 /nfs/dbraw/zinc/08/17/40/675081740.db2.gz XWANRGZQOHOXTL-LLVKDONJSA-N 1 2 343.818 2.185 20 30 EEEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2c(F)cccc2F)C1 ZINC000969525746 675092119 /nfs/dbraw/zinc/09/21/19/675092119.db2.gz FBRBPEGNFMRLCI-NSHDSACASA-N 1 2 344.365 2.415 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nc(C(C)C)no3)C2)cc1 ZINC000969546351 675095410 /nfs/dbraw/zinc/09/54/10/675095410.db2.gz WAPFSIQRQTWHKJ-MRXNPFEDSA-N 1 2 338.411 2.179 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2nc(C)oc2C)C1 ZINC000969692456 675168789 /nfs/dbraw/zinc/16/87/89/675168789.db2.gz NGEQMWXHCUXMDT-XZOAIXRZSA-N 1 2 347.459 2.209 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2Cc3c(cccc3C)O2)C1 ZINC000970752157 676126142 /nfs/dbraw/zinc/12/61/42/676126142.db2.gz NSKLQWSPXTUOLC-CXAGYDPISA-N 1 2 334.847 2.488 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH2+]Cc3nc(CCCC)no3)C2)C1 ZINC000969885367 675281613 /nfs/dbraw/zinc/28/16/13/675281613.db2.gz YZXDZUXWVGXFDO-CQSZACIVSA-N 1 2 332.448 2.459 20 30 EEEDLO C[C@@H](NC(=O)c1cc(F)c[nH]1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970175136 675664529 /nfs/dbraw/zinc/66/45/29/675664529.db2.gz KLNOARGEOQKKNM-LLVKDONJSA-N 1 2 344.365 2.415 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2OCCc3ccccc32)C1 ZINC000970253837 675747071 /nfs/dbraw/zinc/74/70/71/675747071.db2.gz QOKIDOGULGZMSZ-DYVFJYSZSA-N 1 2 334.847 2.489 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2csc(CC)n2)C1 ZINC000972375668 678623649 /nfs/dbraw/zinc/62/36/49/678623649.db2.gz LBVITKUBUDWNPU-XHSDSOJGSA-N 1 2 349.500 2.329 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2csc(CC)n2)C1 ZINC000972375668 678623651 /nfs/dbraw/zinc/62/36/51/678623651.db2.gz LBVITKUBUDWNPU-XHSDSOJGSA-N 1 2 349.500 2.329 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nc(C(C)C)oc3C)C2)C1 ZINC000972380315 678630350 /nfs/dbraw/zinc/63/03/50/678630350.db2.gz FXYRPKZMGCILGC-SFHVURJKSA-N 1 2 333.432 2.209 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nc(C(C)C)oc3C)C2)C1 ZINC000972380315 678630354 /nfs/dbraw/zinc/63/03/54/678630354.db2.gz FXYRPKZMGCILGC-SFHVURJKSA-N 1 2 333.432 2.209 20 30 EEEDLO C=CCOc1ccccc1C(=O)N1CC[C@]2(C1)C[N@H+](CC=C)CCO2 ZINC000972436142 678739700 /nfs/dbraw/zinc/73/97/00/678739700.db2.gz BMZFIVSPFRPWTE-HXUWFJFHSA-N 1 2 342.439 2.354 20 30 EEEDLO C=CCOc1ccccc1C(=O)N1CC[C@]2(C1)C[N@@H+](CC=C)CCO2 ZINC000972436142 678739704 /nfs/dbraw/zinc/73/97/04/678739704.db2.gz BMZFIVSPFRPWTE-HXUWFJFHSA-N 1 2 342.439 2.354 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)n([C@@H](C)CC)n3)C2)C1 ZINC000972443626 678752810 /nfs/dbraw/zinc/75/28/10/678752810.db2.gz KNKULVVEGSBMOE-KXBFYZLASA-N 1 2 346.475 2.265 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)n([C@@H](C)CC)n3)C2)C1 ZINC000972443626 678752813 /nfs/dbraw/zinc/75/28/13/678752813.db2.gz KNKULVVEGSBMOE-KXBFYZLASA-N 1 2 346.475 2.265 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC(C)(C)CO3)C2)C1 ZINC000972470590 678816730 /nfs/dbraw/zinc/81/67/30/678816730.db2.gz FNFDMKRNQFMGFL-QFBILLFUSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCC(C)(C)CO3)C2)C1 ZINC000972470590 678816732 /nfs/dbraw/zinc/81/67/32/678816732.db2.gz FNFDMKRNQFMGFL-QFBILLFUSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(OC)c3C)C2)C1 ZINC000972571643 679328746 /nfs/dbraw/zinc/32/87/46/679328746.db2.gz FCRSBDKVZIIYCV-IBGZPJMESA-N 1 2 330.428 2.107 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(OC)c3C)C2)C1 ZINC000972571643 679328748 /nfs/dbraw/zinc/32/87/48/679328748.db2.gz FCRSBDKVZIIYCV-IBGZPJMESA-N 1 2 330.428 2.107 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3scnc3C(C)C)C2)C1 ZINC000972586022 679363304 /nfs/dbraw/zinc/36/33/04/679363304.db2.gz UERMKBVCEZMTPO-GOSISDBHSA-N 1 2 347.484 2.207 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3scnc3C(C)C)C2)C1 ZINC000972586022 679363306 /nfs/dbraw/zinc/36/33/06/679363306.db2.gz UERMKBVCEZMTPO-GOSISDBHSA-N 1 2 347.484 2.207 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn([C@@H](C)CC)c3C)C2)C1 ZINC000972629650 679459079 /nfs/dbraw/zinc/45/90/79/679459079.db2.gz BWQKXTSKUORYLZ-KXBFYZLASA-N 1 2 346.475 2.265 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn([C@@H](C)CC)c3C)C2)C1 ZINC000972629650 679459082 /nfs/dbraw/zinc/45/90/82/679459082.db2.gz BWQKXTSKUORYLZ-KXBFYZLASA-N 1 2 346.475 2.265 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)c3ccc(F)cc3)C2)C1 ZINC000972688814 679605592 /nfs/dbraw/zinc/60/55/92/679605592.db2.gz QGGIOTWXZJVMGX-OXJNMPFZSA-N 1 2 344.430 2.256 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)c3ccc(F)cc3)C2)C1 ZINC000972688814 679605595 /nfs/dbraw/zinc/60/55/95/679605595.db2.gz QGGIOTWXZJVMGX-OXJNMPFZSA-N 1 2 344.430 2.256 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3nc(C)oc3C)C2)nc1 ZINC000972754928 679748491 /nfs/dbraw/zinc/74/84/91/679748491.db2.gz AAOKSBVUFNLYMU-INIZCTEOSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3nc(C)oc3C)C2)nc1 ZINC000972754928 679748492 /nfs/dbraw/zinc/74/84/92/679748492.db2.gz AAOKSBVUFNLYMU-INIZCTEOSA-N 1 2 338.411 2.014 20 30 EEEDLO C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000982828400 681343577 /nfs/dbraw/zinc/34/35/77/681343577.db2.gz WHRDNAJUIHJUQW-WMLDXEAASA-N 1 2 345.418 2.157 20 30 EEEDLO C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000982828400 681343581 /nfs/dbraw/zinc/34/35/81/681343581.db2.gz WHRDNAJUIHJUQW-WMLDXEAASA-N 1 2 345.418 2.157 20 30 EEEDLO CCCCc1noc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H](C)C#N)n1 ZINC001024902392 681562844 /nfs/dbraw/zinc/56/28/44/681562844.db2.gz PZOQJKZQFBUNST-ZIAGYGMSSA-N 1 2 333.436 2.043 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C/C(Cl)=C/Cl)C2)[nH]1 ZINC001028487378 681603448 /nfs/dbraw/zinc/60/34/48/681603448.db2.gz WEGDIHCOTNAALE-KMFOOYFMSA-N 1 2 327.215 2.257 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C/C(Cl)=C/Cl)C2)[nH]1 ZINC001028487378 681603449 /nfs/dbraw/zinc/60/34/49/681603449.db2.gz WEGDIHCOTNAALE-KMFOOYFMSA-N 1 2 327.215 2.257 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3nnc(CC)n3C)C2)CC1 ZINC001028779872 682209364 /nfs/dbraw/zinc/20/93/64/682209364.db2.gz BHDILONOUQJAPD-HNNXBMFYSA-N 1 2 345.491 2.062 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3nnc(CC)n3C)C2)CC1 ZINC001028779872 682209367 /nfs/dbraw/zinc/20/93/67/682209367.db2.gz BHDILONOUQJAPD-HNNXBMFYSA-N 1 2 345.491 2.062 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060463623 683304926 /nfs/dbraw/zinc/30/49/26/683304926.db2.gz ZOFNSVGJIIMLIA-HNNXBMFYSA-N 1 2 344.459 2.075 20 30 EEEDLO CC(F)(F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OCC#N)cc1 ZINC001029185418 683381140 /nfs/dbraw/zinc/38/11/40/683381140.db2.gz NGSBASVJMROFRY-GASCZTMLSA-N 1 2 349.381 2.419 20 30 EEEDLO CC(F)(F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OCC#N)cc1 ZINC001029185418 683381146 /nfs/dbraw/zinc/38/11/46/683381146.db2.gz NGSBASVJMROFRY-GASCZTMLSA-N 1 2 349.381 2.419 20 30 EEEDLO Cc1cc(N(C)C[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001058676173 683714486 /nfs/dbraw/zinc/71/44/86/683714486.db2.gz JFODSPQNFBPKSZ-DZGCQCFKSA-N 1 2 341.459 2.497 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cnn(C)c2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993023991 683761578 /nfs/dbraw/zinc/76/15/78/683761578.db2.gz OOLWFVOCAYEOIE-KSSFIOAISA-N 1 2 337.427 2.075 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)c2cnn(C)c2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993023991 683761581 /nfs/dbraw/zinc/76/15/81/683761581.db2.gz OOLWFVOCAYEOIE-KSSFIOAISA-N 1 2 337.427 2.075 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2ccn[nH]2)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000993069593 683833135 /nfs/dbraw/zinc/83/31/35/683833135.db2.gz KPZFNJWVOWIOLO-BLLLJJGKSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@H]1[C@H](NC(=O)c2ccn[nH]2)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000993069593 683833139 /nfs/dbraw/zinc/83/31/39/683833139.db2.gz KPZFNJWVOWIOLO-BLLLJJGKSA-N 1 2 341.390 2.203 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)[C@H]2C)[nH]n1 ZINC000993083316 683897026 /nfs/dbraw/zinc/89/70/26/683897026.db2.gz DHHNGEXDOGYIQV-YOEHRIQHSA-N 1 2 337.427 2.373 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)[C@H]2C)[nH]n1 ZINC000993083316 683897031 /nfs/dbraw/zinc/89/70/31/683897031.db2.gz DHHNGEXDOGYIQV-YOEHRIQHSA-N 1 2 337.427 2.373 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](C/C(Cl)=C/Cl)C[C@H]32)nc1 ZINC001026141231 683905457 /nfs/dbraw/zinc/90/54/57/683905457.db2.gz YVMLTIUEBRLLTF-QJCSAMKLSA-N 1 2 336.222 2.042 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](C/C(Cl)=C/Cl)C[C@H]32)nc1 ZINC001026141231 683905460 /nfs/dbraw/zinc/90/54/60/683905460.db2.gz YVMLTIUEBRLLTF-QJCSAMKLSA-N 1 2 336.222 2.042 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCCCC1 ZINC001029419670 684463908 /nfs/dbraw/zinc/46/39/08/684463908.db2.gz IPNKBHMUXCBIDE-CALCHBBNSA-N 1 2 347.503 2.276 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCCCC1 ZINC001029419670 684463910 /nfs/dbraw/zinc/46/39/10/684463910.db2.gz IPNKBHMUXCBIDE-CALCHBBNSA-N 1 2 347.503 2.276 20 30 EEEDLO COc1ccc(NC(=O)CO[NH+]=C(N)Cc2cccnc2)cc1Cl ZINC000137640562 684620795 /nfs/dbraw/zinc/62/07/95/684620795.db2.gz HJCMMRUNXJUCJR-UHFFFAOYSA-N 1 2 348.790 2.214 20 30 EEEDLO C=CCCCC(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001060102118 693976511 /nfs/dbraw/zinc/97/65/11/693976511.db2.gz OBMFATNHNFOBQW-MRXNPFEDSA-N 1 2 346.475 2.064 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C(C)(C)C1 ZINC000975068519 686095958 /nfs/dbraw/zinc/09/59/58/686095958.db2.gz CHKIOBUVAVOVQA-ZNMIVQPWSA-N 1 2 336.867 2.103 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C(C)(C)C1 ZINC000975068519 686095960 /nfs/dbraw/zinc/09/59/60/686095960.db2.gz CHKIOBUVAVOVQA-ZNMIVQPWSA-N 1 2 336.867 2.103 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc[nH]2)C1 ZINC001027296526 687285954 /nfs/dbraw/zinc/28/59/54/687285954.db2.gz KAXPMMQXMGKTMN-GFCCVEGCSA-N 1 2 326.238 2.460 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc[nH]2)C1 ZINC001027296526 687285955 /nfs/dbraw/zinc/28/59/55/687285955.db2.gz KAXPMMQXMGKTMN-GFCCVEGCSA-N 1 2 326.238 2.460 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](OC)C2CC2)C1 ZINC001027395103 687889316 /nfs/dbraw/zinc/88/93/16/687889316.db2.gz YYIONFJGVGQZAS-KGLIPLIRSA-N 1 2 345.281 2.243 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](OC)C2CC2)C1 ZINC001027395103 687889325 /nfs/dbraw/zinc/88/93/25/687889325.db2.gz YYIONFJGVGQZAS-KGLIPLIRSA-N 1 2 345.281 2.243 20 30 EEEDLO CCCc1nnc(C[N@H+](C)CC2CCN(C(=O)[C@H](C)C#N)CC2)s1 ZINC001029946284 688656557 /nfs/dbraw/zinc/65/65/57/688656557.db2.gz KLAMZXBTUHNROY-CYBMUJFWSA-N 1 2 349.504 2.321 20 30 EEEDLO CCCc1nnc(C[N@@H+](C)CC2CCN(C(=O)[C@H](C)C#N)CC2)s1 ZINC001029946284 688656560 /nfs/dbraw/zinc/65/65/60/688656560.db2.gz KLAMZXBTUHNROY-CYBMUJFWSA-N 1 2 349.504 2.321 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001060175885 694248492 /nfs/dbraw/zinc/24/84/92/694248492.db2.gz RLTZZSXLMZRAOK-IRXDYDNUSA-N 1 2 346.475 2.230 20 30 EEEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000988273172 690456641 /nfs/dbraw/zinc/45/66/41/690456641.db2.gz YJMKLASCBMYTGO-HNNXBMFYSA-N 1 2 344.459 2.006 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C)CC1 ZINC000989731566 692226517 /nfs/dbraw/zinc/22/65/17/692226517.db2.gz MLMHAZCZRWYZMG-ZBFHGGJFSA-N 1 2 344.459 2.113 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)c2cocn2)c(F)c1 ZINC001027789216 694521214 /nfs/dbraw/zinc/52/12/14/694521214.db2.gz GHKDTWRBLSZPDA-AWEZNQCLSA-N 1 2 328.347 2.080 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)c2cocn2)c(F)c1 ZINC001027789216 694521218 /nfs/dbraw/zinc/52/12/18/694521218.db2.gz GHKDTWRBLSZPDA-AWEZNQCLSA-N 1 2 328.347 2.080 20 30 EEEDLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C1CC1 ZINC000093392197 692446289 /nfs/dbraw/zinc/44/62/89/692446289.db2.gz FUUVMDFYIWPSSZ-KGLIPLIRSA-N 1 2 336.457 2.375 20 30 EEEDLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C1CC1 ZINC000093392197 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ZINC000960974913 1216995394 /nfs/dbraw/zinc/99/53/94/1216995394.db2.gz CLALKAGZSCKFGR-NVXWUHKLSA-N 1 2 349.438 2.151 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)Cc3ccco3)C2)c1 ZINC001015882154 1225781651 /nfs/dbraw/zinc/78/16/51/1225781651.db2.gz LANRZQVGXKTQNI-HNNXBMFYSA-N 1 2 327.359 2.224 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)Cc3ccco3)C2)c1 ZINC001015882154 1225781659 /nfs/dbraw/zinc/78/16/59/1225781659.db2.gz LANRZQVGXKTQNI-HNNXBMFYSA-N 1 2 327.359 2.224 20 30 EEEDLO COc1ccc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)o1 ZINC001015894546 1225797548 /nfs/dbraw/zinc/79/75/48/1225797548.db2.gz SDSVLKFWTGAINI-INIZCTEOSA-N 1 2 342.370 2.283 20 30 EEEDLO COc1ccc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)o1 ZINC001015894546 1225797550 /nfs/dbraw/zinc/79/75/50/1225797550.db2.gz SDSVLKFWTGAINI-INIZCTEOSA-N 1 2 342.370 2.283 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C(F)F ZINC000964596939 1218476582 /nfs/dbraw/zinc/47/65/82/1218476582.db2.gz HWKMGQIMFQMFLS-QMTHXVAHSA-N 1 2 325.334 2.289 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C(F)F ZINC000964596939 1218476586 /nfs/dbraw/zinc/47/65/86/1218476586.db2.gz HWKMGQIMFQMFLS-QMTHXVAHSA-N 1 2 325.334 2.289 20 30 EEEDLO C[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1NC(=O)c1ncc[nH]1 ZINC000966010448 1219443358 /nfs/dbraw/zinc/44/33/58/1219443358.db2.gz IZWSVUDNCOVUDH-YOEHRIQHSA-N 1 2 340.402 2.041 20 30 EEEDLO C[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1NC(=O)c1ncc[nH]1 ZINC000966010448 1219443361 /nfs/dbraw/zinc/44/33/61/1219443361.db2.gz IZWSVUDNCOVUDH-YOEHRIQHSA-N 1 2 340.402 2.041 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cncc3[nH]cnc32)C1 ZINC000966236462 1219611737 /nfs/dbraw/zinc/61/17/37/1219611737.db2.gz PWXFSPURKLQPKZ-YGRLFVJLSA-N 1 2 333.823 2.151 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cncc3[nH]cnc32)C1 ZINC000966236462 1219611740 /nfs/dbraw/zinc/61/17/40/1219611740.db2.gz PWXFSPURKLQPKZ-YGRLFVJLSA-N 1 2 333.823 2.151 20 30 EEEDLO CCCc1nc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)co1 ZINC001015994722 1225934904 /nfs/dbraw/zinc/93/49/04/1225934904.db2.gz XVKWMUNVOWGGIL-KRWDZBQOSA-N 1 2 337.423 2.483 20 30 EEEDLO CCCc1nc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)co1 ZINC001015994722 1225934908 /nfs/dbraw/zinc/93/49/08/1225934908.db2.gz XVKWMUNVOWGGIL-KRWDZBQOSA-N 1 2 337.423 2.483 20 30 EEEDLO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)c1cccnc1 ZINC001016015874 1225959996 /nfs/dbraw/zinc/95/99/96/1225959996.db2.gz IGARCTOZLJAWCB-KXBFYZLASA-N 1 2 334.423 2.447 20 30 EEEDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1)c1cccnc1 ZINC001016015874 1225960002 /nfs/dbraw/zinc/96/00/02/1225960002.db2.gz IGARCTOZLJAWCB-KXBFYZLASA-N 1 2 334.423 2.447 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cnn(C(F)F)c2)C1 ZINC000968475100 1221334685 /nfs/dbraw/zinc/33/46/85/1221334685.db2.gz DZTLDJOJTYTVFI-JOYOIKCWSA-N 1 2 332.782 2.471 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cnn(C(F)F)c2)C1 ZINC000968475100 1221334687 /nfs/dbraw/zinc/33/46/87/1221334687.db2.gz DZTLDJOJTYTVFI-JOYOIKCWSA-N 1 2 332.782 2.471 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c(=O)ccoc3c2)C1 ZINC000968558885 1221401560 /nfs/dbraw/zinc/40/15/60/1221401560.db2.gz UYSNUSHGYJZAPF-PBHICJAKSA-N 1 2 338.407 2.257 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c(=O)ccoc3c2)C1 ZINC000968558885 1221401563 /nfs/dbraw/zinc/40/15/63/1221401563.db2.gz UYSNUSHGYJZAPF-PBHICJAKSA-N 1 2 338.407 2.257 20 30 EEEDLO C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(P(C)(C)=O)cc2)C1 ZINC000968669613 1221479218 /nfs/dbraw/zinc/47/92/18/1221479218.db2.gz PONQXGJXZZMVOD-WMLDXEAASA-N 1 2 332.384 2.008 20 30 EEEDLO C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(P(C)(C)=O)cc2)C1 ZINC000968669613 1221479223 /nfs/dbraw/zinc/47/92/23/1221479223.db2.gz PONQXGJXZZMVOD-WMLDXEAASA-N 1 2 332.384 2.008 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1cnon1 ZINC000968891503 1221650426 /nfs/dbraw/zinc/65/04/26/1221650426.db2.gz ZZLHPURLUYGFMW-MRXNPFEDSA-N 1 2 343.431 2.232 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCCCC[N@H+]1Cc1cnon1 ZINC000968891503 1221650428 /nfs/dbraw/zinc/65/04/28/1221650428.db2.gz ZZLHPURLUYGFMW-MRXNPFEDSA-N 1 2 343.431 2.232 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([NH2+]Cc2nn(C)cc2Cl)C1 ZINC000968917882 1221669419 /nfs/dbraw/zinc/66/94/19/1221669419.db2.gz KMAKGKZMMAQRLH-CYBMUJFWSA-N 1 2 347.850 2.065 20 30 EEEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)c1cn[nH]c1 ZINC001006798336 1221950005 /nfs/dbraw/zinc/95/00/05/1221950005.db2.gz LMYYGTMVJVDTJB-QGZVFWFLSA-N 1 2 342.830 2.309 20 30 EEEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)c1cn[nH]c1 ZINC001006798336 1221950009 /nfs/dbraw/zinc/95/00/09/1221950009.db2.gz LMYYGTMVJVDTJB-QGZVFWFLSA-N 1 2 342.830 2.309 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CCCCO3)C2)ccc1F ZINC001007123043 1222102598 /nfs/dbraw/zinc/10/25/98/1222102598.db2.gz TVYZJYXKYOJTNQ-AEFFLSMTSA-N 1 2 345.418 2.347 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CCCCO3)C2)ccc1F ZINC001007123043 1222102599 /nfs/dbraw/zinc/10/25/99/1222102599.db2.gz TVYZJYXKYOJTNQ-AEFFLSMTSA-N 1 2 345.418 2.347 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)ncn1 ZINC001007132779 1222106071 /nfs/dbraw/zinc/10/60/71/1222106071.db2.gz CGOAYHDLLCQVOT-GOSISDBHSA-N 1 2 334.423 2.031 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)ncn1 ZINC001007132779 1222106074 /nfs/dbraw/zinc/10/60/74/1222106074.db2.gz CGOAYHDLLCQVOT-GOSISDBHSA-N 1 2 334.423 2.031 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)cnn1 ZINC001007212051 1222131241 /nfs/dbraw/zinc/13/12/41/1222131241.db2.gz XFYURJTUHHRGLR-AWEZNQCLSA-N 1 2 341.440 2.113 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)cnn1 ZINC001007212051 1222131242 /nfs/dbraw/zinc/13/12/42/1222131242.db2.gz XFYURJTUHHRGLR-AWEZNQCLSA-N 1 2 341.440 2.113 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)nn1 ZINC001007313318 1222165488 /nfs/dbraw/zinc/16/54/88/1222165488.db2.gz SNHLDBXKWSGGRF-SFHVURJKSA-N 1 2 334.423 2.031 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)nn1 ZINC001007313318 1222165489 /nfs/dbraw/zinc/16/54/89/1222165489.db2.gz SNHLDBXKWSGGRF-SFHVURJKSA-N 1 2 334.423 2.031 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2cn3c(n2)CCC3)C1 ZINC001007364102 1222191243 /nfs/dbraw/zinc/19/12/43/1222191243.db2.gz QJVYMKUCWMBZMO-KRWDZBQOSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2cn3c(n2)CCC3)C1 ZINC001007364102 1222191247 /nfs/dbraw/zinc/19/12/47/1222191247.db2.gz QJVYMKUCWMBZMO-KRWDZBQOSA-N 1 2 349.438 2.095 20 30 EEEDLO C=C(Cl)CN1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001009184470 1223169005 /nfs/dbraw/zinc/16/90/05/1223169005.db2.gz WVINTAJAEAHJPZ-AWEZNQCLSA-N 1 2 345.834 2.214 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)c1ccon1 ZINC001010330331 1223665313 /nfs/dbraw/zinc/66/53/13/1223665313.db2.gz HPYPJRNGGGDJPU-HNNXBMFYSA-N 1 2 329.787 2.184 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)c1ccon1 ZINC001010330331 1223665314 /nfs/dbraw/zinc/66/53/14/1223665314.db2.gz HPYPJRNGGGDJPU-HNNXBMFYSA-N 1 2 329.787 2.184 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)c3cscn3)C2)ccc1F ZINC001010370136 1223685497 /nfs/dbraw/zinc/68/54/97/1223685497.db2.gz TVGHNBOICPWURB-ZDUSSCGKSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3cscn3)C2)ccc1F ZINC001010370136 1223685499 /nfs/dbraw/zinc/68/54/99/1223685499.db2.gz TVGHNBOICPWURB-ZDUSSCGKSA-N 1 2 330.388 2.158 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C2)c1 ZINC001010458953 1223729726 /nfs/dbraw/zinc/72/97/26/1223729726.db2.gz VODBIFRFDYJZCJ-HNNXBMFYSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C2)c1 ZINC001010458953 1223729728 /nfs/dbraw/zinc/72/97/28/1223729728.db2.gz VODBIFRFDYJZCJ-HNNXBMFYSA-N 1 2 330.338 2.169 20 30 EEEDLO Cc1cccnc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010491387 1223745945 /nfs/dbraw/zinc/74/59/45/1223745945.db2.gz QITCJPASAPUMQP-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cccnc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010491387 1223745948 /nfs/dbraw/zinc/74/59/48/1223745948.db2.gz QITCJPASAPUMQP-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1[nH]ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010498389 1223749201 /nfs/dbraw/zinc/74/92/01/1223749201.db2.gz MZCWQAYUMHJUTG-HNNXBMFYSA-N 1 2 326.375 2.338 20 30 EEEDLO Cc1[nH]ccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010498389 1223749205 /nfs/dbraw/zinc/74/92/05/1223749205.db2.gz MZCWQAYUMHJUTG-HNNXBMFYSA-N 1 2 326.375 2.338 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1)n1cccc1 ZINC001010564505 1223785291 /nfs/dbraw/zinc/78/52/91/1223785291.db2.gz DQCCIRBLKBUANL-RHSMWYFYSA-N 1 2 340.402 2.451 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1)n1cccc1 ZINC001010564505 1223785294 /nfs/dbraw/zinc/78/52/94/1223785294.db2.gz DQCCIRBLKBUANL-RHSMWYFYSA-N 1 2 340.402 2.451 20 30 EEEDLO CCc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)co1 ZINC001010700960 1223857801 /nfs/dbraw/zinc/85/78/01/1223857801.db2.gz QBQYUDMUPCAIFI-CQSZACIVSA-N 1 2 342.374 2.252 20 30 EEEDLO CCc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)co1 ZINC001010700960 1223857802 /nfs/dbraw/zinc/85/78/02/1223857802.db2.gz QBQYUDMUPCAIFI-CQSZACIVSA-N 1 2 342.374 2.252 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCOCC3)C2)c1 ZINC001010809681 1223918420 /nfs/dbraw/zinc/91/84/20/1223918420.db2.gz UDRDXEMGPBHLOQ-WBVHZDCISA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCOCC3)C2)c1 ZINC001010809681 1223918422 /nfs/dbraw/zinc/91/84/22/1223918422.db2.gz UDRDXEMGPBHLOQ-WBVHZDCISA-N 1 2 345.418 2.205 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001011172869 1224072327 /nfs/dbraw/zinc/07/23/27/1224072327.db2.gz AFZRUUTYLGBHJW-UHFFFAOYSA-N 1 2 340.427 2.139 20 30 EEEDLO CCc1noc(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016228797 1226229786 /nfs/dbraw/zinc/22/97/86/1226229786.db2.gz JXCALAPRJYKVFL-MRXNPFEDSA-N 1 2 338.411 2.421 20 30 EEEDLO CCc1noc(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016228797 1226229787 /nfs/dbraw/zinc/22/97/87/1226229787.db2.gz JXCALAPRJYKVFL-MRXNPFEDSA-N 1 2 338.411 2.421 20 30 EEEDLO CN(C)c1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)nc1 ZINC001016365426 1226395940 /nfs/dbraw/zinc/39/59/40/1226395940.db2.gz BKDKBVRMYMIOCW-QGZVFWFLSA-N 1 2 349.438 2.024 20 30 EEEDLO CN(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)nc1 ZINC001016365426 1226395947 /nfs/dbraw/zinc/39/59/47/1226395947.db2.gz BKDKBVRMYMIOCW-QGZVFWFLSA-N 1 2 349.438 2.024 20 30 EEEDLO CC(C)CCc1noc(C[NH2+][C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)n1 ZINC001054627052 1248763251 /nfs/dbraw/zinc/76/32/51/1248763251.db2.gz DNWYZWHFMWWCFG-HOCLYGCPSA-N 1 2 344.459 2.008 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](Cc2cccc(C#N)c2)C3)c1 ZINC001017452235 1227432558 /nfs/dbraw/zinc/43/25/58/1227432558.db2.gz SPYSGQDYLKUSRB-HDICACEKSA-N 1 2 345.406 2.247 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](Cc2cccc(C#N)c2)C3)c1 ZINC001017452235 1227432562 /nfs/dbraw/zinc/43/25/62/1227432562.db2.gz SPYSGQDYLKUSRB-HDICACEKSA-N 1 2 345.406 2.247 20 30 EEEDLO CCCCc1noc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001018819153 1228427907 /nfs/dbraw/zinc/42/79/07/1228427907.db2.gz OMNNLVZDADFMDP-HIFRSBDPSA-N 1 2 330.432 2.077 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1F ZINC001038256201 1229706427 /nfs/dbraw/zinc/70/64/27/1229706427.db2.gz CAUWMZUPFXRPGH-NUJGCVRESA-N 1 2 332.419 2.497 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1F ZINC001038256201 1229706430 /nfs/dbraw/zinc/70/64/30/1229706430.db2.gz CAUWMZUPFXRPGH-NUJGCVRESA-N 1 2 332.419 2.497 20 30 EEEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CCCc2c[nH]nc21 ZINC001038262430 1229709876 /nfs/dbraw/zinc/70/98/76/1229709876.db2.gz NEJSDBZCIWNBQQ-RTBURBONSA-N 1 2 348.450 2.072 20 30 EEEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CCCc2c[nH]nc21 ZINC001038262430 1229709881 /nfs/dbraw/zinc/70/98/81/1229709881.db2.gz NEJSDBZCIWNBQQ-RTBURBONSA-N 1 2 348.450 2.072 20 30 EEEDLO Cc1nc(C)c(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)nc1C ZINC001038493083 1229867453 /nfs/dbraw/zinc/86/74/53/1229867453.db2.gz PQMFUCJZVDDRRM-GOSISDBHSA-N 1 2 349.438 2.278 20 30 EEEDLO Cc1nc(C)c(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)nc1C ZINC001038493083 1229867458 /nfs/dbraw/zinc/86/74/58/1229867458.db2.gz PQMFUCJZVDDRRM-GOSISDBHSA-N 1 2 349.438 2.278 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cnn3c2CCCC3)c1 ZINC001038892105 1230140054 /nfs/dbraw/zinc/14/00/54/1230140054.db2.gz VHCCRWXTTAVXKT-QGZVFWFLSA-N 1 2 349.438 2.095 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cnn3c2CCCC3)c1 ZINC001038892105 1230140057 /nfs/dbraw/zinc/14/00/57/1230140057.db2.gz VHCCRWXTTAVXKT-QGZVFWFLSA-N 1 2 349.438 2.095 20 30 EEEDLO CCc1noc(C)c1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001039006883 1230230079 /nfs/dbraw/zinc/23/00/79/1230230079.db2.gz AUSJZJSJTWNXTQ-INIZCTEOSA-N 1 2 338.411 2.421 20 30 EEEDLO CCc1noc(C)c1C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001039006883 1230230082 /nfs/dbraw/zinc/23/00/82/1230230082.db2.gz AUSJZJSJTWNXTQ-INIZCTEOSA-N 1 2 338.411 2.421 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC(C)(Nc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001067284974 1230271252 /nfs/dbraw/zinc/27/12/52/1230271252.db2.gz UWDQVZJNIYONBF-UHFFFAOYSA-N 1 2 346.479 2.251 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2n1CCC2 ZINC001039387772 1230572734 /nfs/dbraw/zinc/57/27/34/1230572734.db2.gz KGQFNLZGEWLJSN-KGLIPLIRSA-N 1 2 334.851 2.261 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2n1CCC2 ZINC001039387772 1230572739 /nfs/dbraw/zinc/57/27/39/1230572739.db2.gz KGQFNLZGEWLJSN-KGLIPLIRSA-N 1 2 334.851 2.261 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH]ncc43)C2)C1 ZINC001040206606 1231102368 /nfs/dbraw/zinc/10/23/68/1231102368.db2.gz YODMFXNBVFNTCO-JXFKEZNVSA-N 1 2 340.471 2.167 20 30 EEEDLO CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH]ncc43)C2)C1 ZINC001040206606 1231102369 /nfs/dbraw/zinc/10/23/69/1231102369.db2.gz YODMFXNBVFNTCO-JXFKEZNVSA-N 1 2 340.471 2.167 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H](CNc3cc[nH+]c(C)n3)[C@H](C)C2)nc1 ZINC001040425709 1231224821 /nfs/dbraw/zinc/22/48/21/1231224821.db2.gz WAATUQUSQIANTK-PBHICJAKSA-N 1 2 349.438 2.372 20 30 EEEDLO CCCc1nnc(C[N@@H+]2CC[C@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)s1 ZINC001041147897 1231453151 /nfs/dbraw/zinc/45/31/51/1231453151.db2.gz VSUQRTCKTWIUNC-GUYCJALGSA-N 1 2 347.488 2.075 20 30 EEEDLO CCCc1nnc(C[N@H+]2CC[C@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)s1 ZINC001041147897 1231453153 /nfs/dbraw/zinc/45/31/53/1231453153.db2.gz VSUQRTCKTWIUNC-GUYCJALGSA-N 1 2 347.488 2.075 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3nnc(CC)n3C)[C@H]2C1 ZINC001042185303 1231943488 /nfs/dbraw/zinc/94/34/88/1231943488.db2.gz RNHLQBKWJJWGBR-GJZGRUSLSA-N 1 2 345.491 2.013 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3nnc(CC)n3C)[C@H]2C1 ZINC001042185303 1231943490 /nfs/dbraw/zinc/94/34/90/1231943490.db2.gz RNHLQBKWJJWGBR-GJZGRUSLSA-N 1 2 345.491 2.013 20 30 EEEDLO C=CCn1cc(C(=O)N(C)C2C[NH+](Cc3cc(C)ccc3C)C2)nn1 ZINC001044022318 1232676140 /nfs/dbraw/zinc/67/61/40/1232676140.db2.gz KVLDZLXRJDNAJW-UHFFFAOYSA-N 1 2 339.443 2.037 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](Cc3cccc(COC)c3)C2)cn1 ZINC001044205674 1232787922 /nfs/dbraw/zinc/78/79/22/1232787922.db2.gz DKIFVAHIIIZAIM-UHFFFAOYSA-N 1 2 349.434 2.166 20 30 EEEDLO Cc1ncc(C(=O)N2CCC[C@H]2C[NH2+]Cc2cc(F)ccc2C#N)[nH]1 ZINC001044960628 1233405677 /nfs/dbraw/zinc/40/56/77/1233405677.db2.gz FRQSDNMZCPPSOX-INIZCTEOSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1nc(C[NH+]2CCC(C)(NC(=O)c3c[nH]c(C#N)c3)CC2)cs1 ZINC001045411521 1233728688 /nfs/dbraw/zinc/72/86/88/1233728688.db2.gz JQLGGADVZRBEMO-UHFFFAOYSA-N 1 2 343.456 2.436 20 30 EEEDLO C#Cc1ccc(C(=O)NC2(C)CC[NH+](Cc3cnns3)CC2)cc1 ZINC001045520687 1233791129 /nfs/dbraw/zinc/79/11/29/1233791129.db2.gz PQDOWFPWPQRRMU-UHFFFAOYSA-N 1 2 340.452 2.304 20 30 EEEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001045561374 1233818172 /nfs/dbraw/zinc/81/81/72/1233818172.db2.gz KUHABVPZBHHFQA-YPMHNXCESA-N 1 2 345.281 2.291 20 30 EEEDLO Cc1cc(Cl)cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c1 ZINC001046044377 1234366927 /nfs/dbraw/zinc/36/69/27/1234366927.db2.gz VKRHFNNVUAVVML-KRWDZBQOSA-N 1 2 346.862 2.004 20 30 EEEDLO CC1(C)CCC[C@@H](CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046076616 1234410894 /nfs/dbraw/zinc/41/08/94/1234410894.db2.gz GZLUOQKDIJGZRP-ROUUACIJSA-N 1 2 346.519 2.335 20 30 EEEDLO CC(C)c1ccc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cc1 ZINC001046079876 1234414525 /nfs/dbraw/zinc/41/45/25/1234414525.db2.gz GCKZQKAUIYRIAR-LJQANCHMSA-N 1 2 340.471 2.166 20 30 EEEDLO CC1(C)CCCC[C@@H]1CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046086508 1234422816 /nfs/dbraw/zinc/42/28/16/1234422816.db2.gz JIMDGPFYYIBWEF-MSOLQXFVSA-N 1 2 346.519 2.335 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)c2cccn2C)C1 ZINC001046150312 1234492478 /nfs/dbraw/zinc/49/24/78/1234492478.db2.gz SOBMMXRCTJFZFO-CQSZACIVSA-N 1 2 326.238 2.128 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccn2C)C1 ZINC001046150312 1234492480 /nfs/dbraw/zinc/49/24/80/1234492480.db2.gz SOBMMXRCTJFZFO-CQSZACIVSA-N 1 2 326.238 2.128 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC001046220328 1234568129 /nfs/dbraw/zinc/56/81/29/1234568129.db2.gz JHVQTDOFQPGVAZ-INIZCTEOSA-N 1 2 329.429 2.046 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)cs1 ZINC001046220328 1234568132 /nfs/dbraw/zinc/56/81/32/1234568132.db2.gz JHVQTDOFQPGVAZ-INIZCTEOSA-N 1 2 329.429 2.046 20 30 EEEDLO C[C@]1(NC(=O)[C@@H]2CC2(F)F)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046303453 1234648875 /nfs/dbraw/zinc/64/88/75/1234648875.db2.gz IYIRQBLHVACXPX-HOCLYGCPSA-N 1 2 337.345 2.433 20 30 EEEDLO C[C@]1(NC(=O)[C@@H]2CC2(F)F)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046303453 1234648877 /nfs/dbraw/zinc/64/88/77/1234648877.db2.gz IYIRQBLHVACXPX-HOCLYGCPSA-N 1 2 337.345 2.433 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001046338102 1234680469 /nfs/dbraw/zinc/68/04/69/1234680469.db2.gz PQKPJZYBFCJIOY-KRWDZBQOSA-N 1 2 348.834 2.471 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001046338102 1234680470 /nfs/dbraw/zinc/68/04/70/1234680470.db2.gz PQKPJZYBFCJIOY-KRWDZBQOSA-N 1 2 348.834 2.471 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001054926987 1249394084 /nfs/dbraw/zinc/39/40/84/1249394084.db2.gz FLBNEAHVHBRZHT-WKILWMFISA-N 1 2 346.475 2.134 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)c3ncc(C)o3)C2)c1 ZINC001046605635 1234988476 /nfs/dbraw/zinc/98/84/76/1234988476.db2.gz WDIGALZTFCVJKJ-IFXJQAMLSA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)c3ncc(C)o3)C2)c1 ZINC001046605635 1234988480 /nfs/dbraw/zinc/98/84/80/1234988480.db2.gz WDIGALZTFCVJKJ-IFXJQAMLSA-N 1 2 338.411 2.315 20 30 EEEDLO C=C(C)CCC(=O)N(C)C1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001096118818 1235045151 /nfs/dbraw/zinc/04/51/51/1235045151.db2.gz FXTFADZECXJECX-UHFFFAOYSA-N 1 2 342.447 2.147 20 30 EEEDLO CC#CCCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001067711846 1249416157 /nfs/dbraw/zinc/41/61/57/1249416157.db2.gz LLUUJCNIQOQPQW-HZPDHXFCSA-N 1 2 344.459 2.014 20 30 EEEDLO CC#CCCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001067711846 1249416168 /nfs/dbraw/zinc/41/61/68/1249416168.db2.gz LLUUJCNIQOQPQW-HZPDHXFCSA-N 1 2 344.459 2.014 20 30 EEEDLO C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001046942965 1235336071 /nfs/dbraw/zinc/33/60/71/1235336071.db2.gz CFFQHBCXOKJXGS-LBPRGKRZSA-N 1 2 349.385 2.221 20 30 EEEDLO C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001046942965 1235336072 /nfs/dbraw/zinc/33/60/72/1235336072.db2.gz CFFQHBCXOKJXGS-LBPRGKRZSA-N 1 2 349.385 2.221 20 30 EEEDLO N#Cc1c(F)cccc1N1CCC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001096175664 1235799146 /nfs/dbraw/zinc/79/91/46/1235799146.db2.gz QSIALMORVUIOPQ-ZDUSSCGKSA-N 1 2 341.390 2.138 20 30 EEEDLO Cc1nc(N2CCC3(C[C@H](C)N(C(=O)[C@@H](C)C#N)C3)CC2)cc[nH+]1 ZINC001047631360 1236316364 /nfs/dbraw/zinc/31/63/64/1236316364.db2.gz UDRVWMWEQZTZTI-KBPBESRZSA-N 1 2 327.432 2.152 20 30 EEEDLO CCCC(C)(C)C(=O)NCC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC001096304415 1237255684 /nfs/dbraw/zinc/25/56/84/1237255684.db2.gz LYXJSUANPZFNMV-UHFFFAOYSA-N 1 2 343.475 2.018 20 30 EEEDLO C#CCC1(C(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)C2)CCCCC1 ZINC001096385747 1237987194 /nfs/dbraw/zinc/98/71/94/1237987194.db2.gz PGIFXLNKMUQYKZ-INIZCTEOSA-N 1 2 326.444 2.454 20 30 EEEDLO C=C1CCC(C(=O)N(C)CCCN(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001067831627 1249723187 /nfs/dbraw/zinc/72/31/87/1249723187.db2.gz LESXNDWUCFVAOT-UHFFFAOYSA-N 1 2 346.475 2.016 20 30 EEEDLO Cc1cc(N[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)nc(C2CC2)[nH+]1 ZINC001056594565 1239446217 /nfs/dbraw/zinc/44/62/17/1239446217.db2.gz NKPQSMKVDDBRCL-CQSZACIVSA-N 1 2 336.399 2.189 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)c2ocnc2C)CC1 ZINC001000565066 1240522116 /nfs/dbraw/zinc/52/21/16/1240522116.db2.gz XJBHZTYEUJAKLK-UHFFFAOYSA-N 1 2 340.221 2.254 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)c2ocnc2C)CC1 ZINC001000565066 1240522121 /nfs/dbraw/zinc/52/21/21/1240522121.db2.gz XJBHZTYEUJAKLK-UHFFFAOYSA-N 1 2 340.221 2.254 20 30 EEEDLO Cc1cc(N(C)[C@@H]2CCN(C(=O)C#CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001056912191 1240665821 /nfs/dbraw/zinc/66/58/21/1240665821.db2.gz ZNUVILVJTWVNQQ-MRXNPFEDSA-N 1 2 326.444 2.359 20 30 EEEDLO Cc1cnc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)o1 ZINC001049426483 1240880541 /nfs/dbraw/zinc/88/05/41/1240880541.db2.gz WDFRPUSFWAYGJN-HZPDHXFCSA-N 1 2 339.399 2.062 20 30 EEEDLO Cc1cnc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)o1 ZINC001049426483 1240880547 /nfs/dbraw/zinc/88/05/47/1240880547.db2.gz WDFRPUSFWAYGJN-HZPDHXFCSA-N 1 2 339.399 2.062 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1coc(OC)n1 ZINC001049620979 1241665811 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Cc1cnc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(C#N)[nH]2)C3)s1 ZINC001096972639 1243507906 /nfs/dbraw/zinc/50/79/06/1243507906.db2.gz UIPATRONCYYSDL-YUELXQCFSA-N 1 2 341.440 2.187 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001097245051 1243871771 /nfs/dbraw/zinc/87/17/71/1243871771.db2.gz XCCXWHMSNPCUAD-KFWWJZLASA-N 1 2 343.475 2.126 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001097245051 1243871784 /nfs/dbraw/zinc/87/17/84/1243871784.db2.gz XCCXWHMSNPCUAD-KFWWJZLASA-N 1 2 343.475 2.126 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccnc1C(F)F ZINC001051015090 1244851063 /nfs/dbraw/zinc/85/10/63/1244851063.db2.gz FVKIHCFLDRGWPW-GFCCVEGCSA-N 1 2 325.359 2.026 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccnc1C(F)F ZINC001051015090 1244851069 /nfs/dbraw/zinc/85/10/69/1244851069.db2.gz FVKIHCFLDRGWPW-GFCCVEGCSA-N 1 2 325.359 2.026 20 30 EEEDLO C=C(Cl)CN1CCOC[C@H]1CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001051037690 1244887541 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C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(OC(C)C)n1 ZINC001051187544 1245364543 /nfs/dbraw/zinc/36/45/43/1245364543.db2.gz YYYSHKVYYNDSAQ-INIZCTEOSA-N 1 2 347.459 2.266 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(OC(C)C)n1 ZINC001051187544 1245364546 /nfs/dbraw/zinc/36/45/46/1245364546.db2.gz YYYSHKVYYNDSAQ-INIZCTEOSA-N 1 2 347.459 2.266 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001051232862 1245421128 /nfs/dbraw/zinc/42/11/28/1245421128.db2.gz XCBWIQXOCGVZBK-QGZVFWFLSA-N 1 2 329.444 2.356 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001051232862 1245421133 /nfs/dbraw/zinc/42/11/33/1245421133.db2.gz XCBWIQXOCGVZBK-QGZVFWFLSA-N 1 2 329.444 2.356 20 30 EEEDLO C[C@]12CN(C(=O)CSCC#N)C[C@H]1C[N@H+](C/C(Cl)=C/Cl)C2 ZINC001101135600 1245439991 /nfs/dbraw/zinc/43/99/91/1245439991.db2.gz UCKYQKWTYZTICG-SAHRNUMSSA-N 1 2 348.299 2.342 20 30 EEEDLO C[C@]12CN(C(=O)CSCC#N)C[C@H]1C[N@@H+](C/C(Cl)=C/Cl)C2 ZINC001101135600 1245439994 /nfs/dbraw/zinc/43/99/94/1245439994.db2.gz UCKYQKWTYZTICG-SAHRNUMSSA-N 1 2 348.299 2.342 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCC1(C)C)C2 ZINC001111480364 1245564448 /nfs/dbraw/zinc/56/44/48/1245564448.db2.gz QFFPWMPURKPNKH-VQHPVUNQSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCC1(C)C)C2 ZINC001111480364 1245564455 /nfs/dbraw/zinc/56/44/55/1245564455.db2.gz QFFPWMPURKPNKH-VQHPVUNQSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@@H+](Cc3nc(C)no3)C[C@@]2(C)C1 ZINC001101251786 1245573335 /nfs/dbraw/zinc/57/33/35/1245573335.db2.gz KTXWDOCWUBVRCY-KDOFPFPSSA-N 1 2 332.448 2.261 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@H+](Cc3nc(C)no3)C[C@@]2(C)C1 ZINC001101251786 1245573339 /nfs/dbraw/zinc/57/33/39/1245573339.db2.gz KTXWDOCWUBVRCY-KDOFPFPSSA-N 1 2 332.448 2.261 20 30 EEEDLO CC#CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(CC)o3)C[C@@]2(C)C1 ZINC001101333040 1245674722 /nfs/dbraw/zinc/67/47/22/1245674722.db2.gz FXWQEUPAPXPJEY-BEFAXECRSA-N 1 2 344.459 2.106 20 30 EEEDLO CC#CCCCC(=O)N1C[C@H]2C[N@H+](Cc3nnc(CC)o3)C[C@@]2(C)C1 ZINC001101333040 1245674731 /nfs/dbraw/zinc/67/47/31/1245674731.db2.gz FXWQEUPAPXPJEY-BEFAXECRSA-N 1 2 344.459 2.106 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001051460247 1245748721 /nfs/dbraw/zinc/74/87/21/1245748721.db2.gz QUZCRBOJMPAKDD-HZPDHXFCSA-N 1 2 346.475 2.062 20 30 EEEDLO C=CCOc1ccccc1C(=O)N1CCOC2(C[NH+](CC3CC3)C2)C1 ZINC001053312878 1246173359 /nfs/dbraw/zinc/17/33/59/1246173359.db2.gz RVETXVIUTYRMJE-UHFFFAOYSA-N 1 2 342.439 2.188 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1cc(C)ccc1C)CCO2 ZINC001053409028 1246298244 /nfs/dbraw/zinc/29/82/44/1246298244.db2.gz SHXNOMPEQDGOMZ-UHFFFAOYSA-N 1 2 328.456 2.335 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCOC3(C[NH+](CCC[C@H]4CCOC4)C3)C2)C1 ZINC001053418610 1246308591 /nfs/dbraw/zinc/30/85/91/1246308591.db2.gz XYTYXGMOLMNWSH-KRWDZBQOSA-N 1 2 348.487 2.073 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CO[C@@H]1CCCC[C@H]1C)CCO2 ZINC001053454317 1246348102 /nfs/dbraw/zinc/34/81/02/1246348102.db2.gz UTDPBHKAUUBZGU-IAGOWNOFSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)C(C)=C3CCC3)C2)CC1 ZINC001052026554 1246389405 /nfs/dbraw/zinc/38/94/05/1246389405.db2.gz QIKUXBAMXBZWBR-QGZVFWFLSA-N 1 2 337.895 2.458 20 30 EEEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CC3CC(C)(C)C3)C2)CC1 ZINC001052068697 1246441284 /nfs/dbraw/zinc/44/12/84/1246441284.db2.gz MKYGDOCTCVDAGZ-SFHVURJKSA-N 1 2 331.504 2.055 20 30 EEEDLO C=C[C@@H](C(=O)N1CCOC2(C[NH+](CCCF)C2)C1)c1ccccc1 ZINC001053538458 1246447739 /nfs/dbraw/zinc/44/77/39/1246447739.db2.gz APDQVBCYDGEUMN-QGZVFWFLSA-N 1 2 332.419 2.229 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cncc3ccccc31)CCO2 ZINC001053540240 1246451549 /nfs/dbraw/zinc/45/15/49/1246451549.db2.gz NHHBFTVDUJCPDF-UHFFFAOYSA-N 1 2 337.423 2.338 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)C3(CC)CC3)C2)CC1 ZINC001052079232 1246456467 /nfs/dbraw/zinc/45/64/67/1246456467.db2.gz GPRZZGADIIFLID-HNNXBMFYSA-N 1 2 325.884 2.148 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CC1CCC(OC)CC1)CCO2 ZINC001053551635 1246464496 /nfs/dbraw/zinc/46/44/96/1246464496.db2.gz BXGVYBRABVUWDK-UHFFFAOYSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)CC[C@@H]3CCCCO3)C2)CC1 ZINC001052094270 1246473800 /nfs/dbraw/zinc/47/38/00/1246473800.db2.gz RICLRONQHUVYFU-MOPGFXCFSA-N 1 2 349.519 2.130 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CC[C@H]3CCCCO3)C2)CC1 ZINC001052094275 1246473874 /nfs/dbraw/zinc/47/38/74/1246473874.db2.gz RICLRONQHUVYFU-RBUKOAKNSA-N 1 2 349.519 2.130 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]cc3C3CC3)C2)CC1 ZINC001052102672 1246481620 /nfs/dbraw/zinc/48/16/20/1246481620.db2.gz GYEQEMLRCHWVDC-QGZVFWFLSA-N 1 2 342.487 2.300 20 30 EEEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)c3ccc(C)s3)C2)CC1 ZINC001052106221 1246486497 /nfs/dbraw/zinc/48/64/97/1246486497.db2.gz FZQQKQATSKFNFH-DLBZAZTESA-N 1 2 345.512 2.012 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)Cc3cccc(F)c3)C2)CC1 ZINC001052115091 1246498704 /nfs/dbraw/zinc/49/87/04/1246498704.db2.gz SNQDQNKHNHBYEP-IBGZPJMESA-N 1 2 345.462 2.163 20 30 EEEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)cccc3F)C2)CC1 ZINC001052123118 1246509061 /nfs/dbraw/zinc/50/90/61/1246509061.db2.gz CKMJJUHHWPIVQP-MRXNPFEDSA-N 1 2 331.435 2.152 20 30 EEEDLO C=CCn1cccc1C(=O)NCC1CC(Nc2cc[nH+]c(C)n2)C1 ZINC001052124363 1246510670 /nfs/dbraw/zinc/51/06/70/1246510670.db2.gz KMXGBTVWBPVCPP-UHFFFAOYSA-N 1 2 325.416 2.393 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(F)cc(C)cc1F)O2 ZINC001053630013 1246560195 /nfs/dbraw/zinc/56/01/95/1246560195.db2.gz GHQIUMAGIJUTPK-CYBMUJFWSA-N 1 2 336.382 2.422 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ncccc1OCCC)O2 ZINC001053658265 1246602165 /nfs/dbraw/zinc/60/21/65/1246602165.db2.gz VHYZQHDIZDIIHI-HNNXBMFYSA-N 1 2 345.443 2.020 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCC(F)(F)C1)O2 ZINC001053659751 1246604986 /nfs/dbraw/zinc/60/49/86/1246604986.db2.gz XWUCDYGZCYXRAL-ZIAGYGMSSA-N 1 2 328.403 2.348 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(N(C)CC)cc1)O2 ZINC001053703011 1246683044 /nfs/dbraw/zinc/68/30/44/1246683044.db2.gz DYOUZIMFNBSMOD-SFHVURJKSA-N 1 2 343.471 2.292 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccncc1OC(C)C)CO2 ZINC001053881674 1246962062 /nfs/dbraw/zinc/96/20/62/1246962062.db2.gz NCAQLTWTVQEYNL-HNNXBMFYSA-N 1 2 345.443 2.018 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn(CCCC)c1C)CO2 ZINC001053978218 1247098193 /nfs/dbraw/zinc/09/81/93/1247098193.db2.gz MMJGGJHPLMXZBB-INIZCTEOSA-N 1 2 346.475 2.141 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1)CO2 ZINC001053986902 1247110303 /nfs/dbraw/zinc/11/03/03/1247110303.db2.gz XLOAPMWMKAIFQG-OKZBNKHCSA-N 1 2 326.440 2.326 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C(F)F)o1)CO2 ZINC001053995885 1247125011 /nfs/dbraw/zinc/12/50/11/1247125011.db2.gz IBEBFQUWTIOOSJ-NSHDSACASA-N 1 2 326.343 2.366 20 30 EEEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1csc(C)n1 ZINC001054049931 1247235202 /nfs/dbraw/zinc/23/52/02/1247235202.db2.gz NUPXOHAFOCPYQF-INIZCTEOSA-N 1 2 325.437 2.241 20 30 EEEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1csc(C)n1 ZINC001054049931 1247235205 /nfs/dbraw/zinc/23/52/05/1247235205.db2.gz NUPXOHAFOCPYQF-INIZCTEOSA-N 1 2 325.437 2.241 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3nc(C)c(C)nc3C)cc2C1 ZINC001054273345 1247970306 /nfs/dbraw/zinc/97/03/06/1247970306.db2.gz GUOLSROFMNHOQN-UHFFFAOYSA-N 1 2 334.423 2.281 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3nc(C)c(C)nc3C)cc2C1 ZINC001054273345 1247970309 /nfs/dbraw/zinc/97/03/09/1247970309.db2.gz GUOLSROFMNHOQN-UHFFFAOYSA-N 1 2 334.423 2.281 20 30 EEEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc4c(cn3)OCCC4)cc2C1 ZINC001054290414 1248025130 /nfs/dbraw/zinc/02/51/30/1248025130.db2.gz PPNVEPPKKGPYHO-UHFFFAOYSA-N 1 2 347.418 2.285 20 30 EEEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc4c(cn3)OCCC4)cc2C1 ZINC001054290414 1248025137 /nfs/dbraw/zinc/02/51/37/1248025137.db2.gz PPNVEPPKKGPYHO-UHFFFAOYSA-N 1 2 347.418 2.285 20 30 EEEDLO Cc1nc(N[C@@H](C)[C@@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001058009859 1248263214 /nfs/dbraw/zinc/26/32/14/1248263214.db2.gz VSSKNRONRQICII-LRDDRELGSA-N 1 2 338.415 2.480 20 30 EEEDLO C[C@@H](Nc1ccc(C#N)cn1)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001058026180 1248317099 /nfs/dbraw/zinc/31/70/99/1248317099.db2.gz SSLKKAZZUXJXTD-CZUORRHYSA-N 1 2 338.415 2.101 20 30 EEEDLO C#CC[N@@H+](CC(=O)NCCOc1cccc(F)c1)Cc1ccccc1 ZINC000796631941 1250457244 /nfs/dbraw/zinc/45/72/44/1250457244.db2.gz KNQKCXWDYBKOQU-UHFFFAOYSA-N 1 2 340.398 2.456 20 30 EEEDLO C#CC[N@H+](CC(=O)NCCOc1cccc(F)c1)Cc1ccccc1 ZINC000796631941 1250457248 /nfs/dbraw/zinc/45/72/48/1250457248.db2.gz KNQKCXWDYBKOQU-UHFFFAOYSA-N 1 2 340.398 2.456 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[N@@H+]1Cc1cncc(F)c1 ZINC001071437045 1254181598 /nfs/dbraw/zinc/18/15/98/1254181598.db2.gz BPPCENGFDBLYAF-MLGOLLRUSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1Cc1cncc(F)c1 ZINC001071437045 1254181605 /nfs/dbraw/zinc/18/16/05/1254181605.db2.gz BPPCENGFDBLYAF-MLGOLLRUSA-N 1 2 341.390 2.203 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3C#N)C2)cnn1 ZINC001071471467 1254240217 /nfs/dbraw/zinc/24/02/17/1254240217.db2.gz ZNPMRNXFCFQSGK-BEFAXECRSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ccccc3C#N)C2)cnn1 ZINC001071471467 1254240219 /nfs/dbraw/zinc/24/02/19/1254240219.db2.gz ZNPMRNXFCFQSGK-BEFAXECRSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1nccc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001072080983 1254917530 /nfs/dbraw/zinc/91/75/30/1254917530.db2.gz FAYQBMVZEGLSIV-KBXCAEBGSA-N 1 2 349.438 2.440 20 30 EEEDLO Cc1nccc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001072080983 1254917538 /nfs/dbraw/zinc/91/75/38/1254917538.db2.gz FAYQBMVZEGLSIV-KBXCAEBGSA-N 1 2 349.438 2.440 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC(C)(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001073055380 1255620356 /nfs/dbraw/zinc/62/03/56/1255620356.db2.gz IQESIADLZCIGFZ-UHFFFAOYSA-N 1 2 346.475 2.062 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001074089835 1256691592 /nfs/dbraw/zinc/69/15/92/1256691592.db2.gz IRULULHZWMJSEO-UKRRQHHQSA-N 1 2 346.475 2.216 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C)sc3C)C[C@H]21 ZINC001074289727 1256863003 /nfs/dbraw/zinc/86/30/03/1256863003.db2.gz SXZFINQUFTZOQJ-SJORKVTESA-N 1 2 332.469 2.304 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C)sc3C)C[C@H]21 ZINC001074289727 1256863016 /nfs/dbraw/zinc/86/30/16/1256863016.db2.gz SXZFINQUFTZOQJ-SJORKVTESA-N 1 2 332.469 2.304 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C4CC4)CCOCC3)C[C@H]21 ZINC001074304638 1256896088 /nfs/dbraw/zinc/89/60/88/1256896088.db2.gz OBZNSMTYYBSYQQ-QZTJIDSGSA-N 1 2 348.487 2.071 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C4CC4)CCOCC3)C[C@H]21 ZINC001074304638 1256896099 /nfs/dbraw/zinc/89/60/99/1256896099.db2.gz OBZNSMTYYBSYQQ-QZTJIDSGSA-N 1 2 348.487 2.071 20 30 EEEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C4CC4)on3)C[C@H]21 ZINC001074306526 1256900629 /nfs/dbraw/zinc/90/06/29/1256900629.db2.gz BWXGJXDBTVDDLU-HZPDHXFCSA-N 1 2 331.416 2.043 20 30 EEEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C4CC4)on3)C[C@H]21 ZINC001074306526 1256900635 /nfs/dbraw/zinc/90/06/35/1256900635.db2.gz BWXGJXDBTVDDLU-HZPDHXFCSA-N 1 2 331.416 2.043 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(Cl)cc3)C[C@H]21 ZINC001074387877 1256966779 /nfs/dbraw/zinc/96/67/79/1256966779.db2.gz RMTVFYWBQVYBQA-SJORKVTESA-N 1 2 332.831 2.279 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(Cl)cc3)C[C@H]21 ZINC001074387877 1256966784 /nfs/dbraw/zinc/96/67/84/1256966784.db2.gz RMTVFYWBQVYBQA-SJORKVTESA-N 1 2 332.831 2.279 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc(C)c(C)c3)C[C@H]21 ZINC001074401110 1256986033 /nfs/dbraw/zinc/98/60/33/1256986033.db2.gz YOVCQKWNNFOSLZ-UXHICEINSA-N 1 2 340.467 2.171 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc(C)c(C)c3)C[C@H]21 ZINC001074401110 1256986035 /nfs/dbraw/zinc/98/60/35/1256986035.db2.gz YOVCQKWNNFOSLZ-UXHICEINSA-N 1 2 340.467 2.171 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccccc3N(C)C)C[C@@H]21 ZINC001074416965 1257002432 /nfs/dbraw/zinc/00/24/32/1257002432.db2.gz FZHUAOWAOJTLFI-RBUKOAKNSA-N 1 2 343.471 2.244 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccccc3N(C)C)C[C@@H]21 ZINC001074416965 1257002440 /nfs/dbraw/zinc/00/24/40/1257002440.db2.gz FZHUAOWAOJTLFI-RBUKOAKNSA-N 1 2 343.471 2.244 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001074994638 1257244450 /nfs/dbraw/zinc/24/44/50/1257244450.db2.gz GBZJOSGKTLVFEU-CABCVRRESA-N 1 2 346.475 2.061 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001075062783 1257312829 /nfs/dbraw/zinc/31/28/29/1257312829.db2.gz NRAFXFWLWRFSGG-HUUCEWRRSA-N 1 2 340.427 2.410 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001075096558 1257366908 /nfs/dbraw/zinc/36/69/08/1257366908.db2.gz CCGKZSFNCHRRRT-CABCVRRESA-N 1 2 346.475 2.061 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001075096113 1257367258 /nfs/dbraw/zinc/36/72/58/1257367258.db2.gz XTUXUFZJSICKRZ-KGLIPLIRSA-N 1 2 332.448 2.050 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001075102108 1257375957 /nfs/dbraw/zinc/37/59/57/1257375957.db2.gz RDQSFQNNLTVEBZ-HOTGVXAUSA-N 1 2 346.475 2.205 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001075102260 1257375972 /nfs/dbraw/zinc/37/59/72/1257375972.db2.gz SOBXPMSFOGAYKQ-HOTGVXAUSA-N 1 2 346.475 2.205 20 30 EEEDLO CCn1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)c1 ZINC001098228296 1257631653 /nfs/dbraw/zinc/63/16/53/1257631653.db2.gz ZEPXYSZGENJPLI-GGPKGHCWSA-N 1 2 348.450 2.290 20 30 EEEDLO CCn1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)c1 ZINC001098228296 1257631658 /nfs/dbraw/zinc/63/16/58/1257631658.db2.gz ZEPXYSZGENJPLI-GGPKGHCWSA-N 1 2 348.450 2.290 20 30 EEEDLO C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)Nc1cccc(F)c1C#N ZINC001098320477 1257644527 /nfs/dbraw/zinc/64/45/27/1257644527.db2.gz XZEXWHBJDDNPHR-RYUDHWBXSA-N 1 2 329.379 2.216 20 30 EEEDLO C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)Nc1cccc(F)c1C#N ZINC001098320477 1257644532 /nfs/dbraw/zinc/64/45/32/1257644532.db2.gz XZEXWHBJDDNPHR-RYUDHWBXSA-N 1 2 329.379 2.216 20 30 EEEDLO C=CCOCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1nccc(C)n1 ZINC001098970470 1257894153 /nfs/dbraw/zinc/89/41/53/1257894153.db2.gz AMHDBOADWZDUGF-MRXNPFEDSA-N 1 2 346.475 2.094 20 30 EEEDLO C=CCOCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1nccc(C)n1 ZINC001098970470 1257894165 /nfs/dbraw/zinc/89/41/65/1257894165.db2.gz AMHDBOADWZDUGF-MRXNPFEDSA-N 1 2 346.475 2.094 20 30 EEEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2ncnn2C)C3)CC1 ZINC001099012175 1257934058 /nfs/dbraw/zinc/93/40/58/1257934058.db2.gz RLYXWTZCGCYJQW-LPHOPBHVSA-N 1 2 343.475 2.032 20 30 EEEDLO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2ncnn2C)C3)CC1 ZINC001099012175 1257934067 /nfs/dbraw/zinc/93/40/67/1257934067.db2.gz RLYXWTZCGCYJQW-LPHOPBHVSA-N 1 2 343.475 2.032 20 30 EEEDLO Cc1csc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C(F)(F)F)n1 ZINC001099227634 1258024114 /nfs/dbraw/zinc/02/41/14/1258024114.db2.gz NGCLLONYJBBTFJ-FBIMIBRVSA-N 1 2 346.378 2.090 20 30 EEEDLO C[C@@H](CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)Nc1ncccc1C#N ZINC001099682300 1258278319 /nfs/dbraw/zinc/27/83/19/1258278319.db2.gz DSZKVWINRAGAER-GXTWGEPZSA-N 1 2 338.415 2.103 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC001100957671 1259483277 /nfs/dbraw/zinc/48/32/77/1259483277.db2.gz RMYXIBYBAFHLHV-RDJZCZTQSA-N 1 2 346.475 2.326 20 30 EEEDLO C=CCC1(C(=O)NC[C@H]2CCN(c3cc[nH+]c(C)n3)C2)CCOCC1 ZINC001100999411 1259541983 /nfs/dbraw/zinc/54/19/83/1259541983.db2.gz WKKWQMGMWPRFST-MRXNPFEDSA-N 1 2 344.459 2.100 20 30 EEEDLO 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CC[C@@H](CNC(=O)CSCC#N)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001102986553 1302028236 /nfs/dbraw/zinc/02/82/36/1302028236.db2.gz DMCWEMKPUFWAJS-ZDUSSCGKSA-N 1 2 333.461 2.226 20 30 EEEDLO COc1ccc(F)cc1C[NH+]1CC2(C[C@H]2C(=O)N2CC(CC#N)C2)C1 ZINC001277275918 1302126283 /nfs/dbraw/zinc/12/62/83/1302126283.db2.gz TZDYTSWSPHFYQP-INIZCTEOSA-N 1 2 343.402 2.028 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+](Cc2nn(CC)nc2C)CC1 ZINC001228801424 1302454545 /nfs/dbraw/zinc/45/45/45/1302454545.db2.gz OCLNQAPQOFBUCJ-CQSZACIVSA-N 1 2 333.480 2.289 20 30 EEEDLO CC[C@H](CNC(=O)c1cccc2[nH+]ccn21)Nc1ccc(C#N)cn1 ZINC001103242154 1302567664 /nfs/dbraw/zinc/56/76/64/1302567664.db2.gz JBVOYTPUUZTKGC-CQSZACIVSA-N 1 2 334.383 2.221 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](CC)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001103296196 1302673657 /nfs/dbraw/zinc/67/36/57/1302673657.db2.gz LXFZCJURBFJSTA-AUUYWEPGSA-N 1 2 345.491 2.374 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](CC)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001103296196 1302673672 /nfs/dbraw/zinc/67/36/72/1302673672.db2.gz LXFZCJURBFJSTA-AUUYWEPGSA-N 1 2 345.491 2.374 20 30 EEEDLO C[C@H](C[NH+]1CCOCC1)Oc1cccc(Br)c1C#N ZINC001230322052 1303158616 /nfs/dbraw/zinc/15/86/16/1303158616.db2.gz PDAQRZNNNDRFRD-LLVKDONJSA-N 1 2 325.206 2.420 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1C=CCC1 ZINC001230741638 1303426239 /nfs/dbraw/zinc/42/62/39/1303426239.db2.gz AZALVAWLHKRIJF-ROUUACIJSA-N 1 2 347.503 2.300 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1C=CCC1 ZINC001230741638 1303426240 /nfs/dbraw/zinc/42/62/40/1303426240.db2.gz AZALVAWLHKRIJF-ROUUACIJSA-N 1 2 347.503 2.300 20 30 EEEDLO CC(=O)CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001230759080 1303435364 /nfs/dbraw/zinc/43/53/64/1303435364.db2.gz NVLMQHHUUFEISJ-SFHVURJKSA-N 1 2 327.428 2.350 20 30 EEEDLO CC(=O)CCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001230759080 1303435371 /nfs/dbraw/zinc/43/53/71/1303435371.db2.gz NVLMQHHUUFEISJ-SFHVURJKSA-N 1 2 327.428 2.350 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C(CC)CC ZINC001230834748 1303488771 /nfs/dbraw/zinc/48/87/71/1303488771.db2.gz LQEMJAYCEPAQNX-KRWDZBQOSA-N 1 2 335.492 2.156 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C(CC)CC ZINC001230834748 1303488773 /nfs/dbraw/zinc/48/87/73/1303488773.db2.gz LQEMJAYCEPAQNX-KRWDZBQOSA-N 1 2 335.492 2.156 20 30 EEEDLO COCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001230880873 1303521101 /nfs/dbraw/zinc/52/11/01/1303521101.db2.gz OYSZWUSCTHMOAT-INIZCTEOSA-N 1 2 333.407 2.157 20 30 EEEDLO COCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001230880873 1303521107 /nfs/dbraw/zinc/52/11/07/1303521107.db2.gz OYSZWUSCTHMOAT-INIZCTEOSA-N 1 2 333.407 2.157 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N1CCCCCCC1 ZINC001231178215 1303667396 /nfs/dbraw/zinc/66/73/96/1303667396.db2.gz KJWUYNHDGKCPQP-QGZVFWFLSA-N 1 2 335.492 2.278 20 30 EEEDLO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N1CCCCCCC1 ZINC001231178215 1303667397 /nfs/dbraw/zinc/66/73/97/1303667397.db2.gz KJWUYNHDGKCPQP-QGZVFWFLSA-N 1 2 335.492 2.278 20 30 EEEDLO CCOCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001231191063 1303675343 /nfs/dbraw/zinc/67/53/43/1303675343.db2.gz ZSFNLBVSNHNILJ-MRXNPFEDSA-N 1 2 333.407 2.157 20 30 EEEDLO CCOCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001231191063 1303675349 /nfs/dbraw/zinc/67/53/49/1303675349.db2.gz ZSFNLBVSNHNILJ-MRXNPFEDSA-N 1 2 333.407 2.157 20 30 EEEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1oc(CCC)nc1C ZINC001231225629 1303690536 /nfs/dbraw/zinc/69/05/36/1303690536.db2.gz GCJUVTRTHIBCIW-OAHLLOKOSA-N 1 2 335.448 2.171 20 30 EEEDLO C=CCOCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1oc(CCC)nc1C ZINC001231225629 1303690542 /nfs/dbraw/zinc/69/05/42/1303690542.db2.gz GCJUVTRTHIBCIW-OAHLLOKOSA-N 1 2 335.448 2.171 20 30 EEEDLO C#CC[NH+]1CCN(Cc2ccc(OCCCOC)c(OCC)c2)CC1 ZINC001231552029 1303843262 /nfs/dbraw/zinc/84/32/62/1303843262.db2.gz VEUJDMINEKAQMK-UHFFFAOYSA-N 1 2 346.471 2.251 20 30 EEEDLO C#CCN1CC[NH+](Cc2ccc(OCCCOC)c(OCC)c2)CC1 ZINC001231552029 1303843266 /nfs/dbraw/zinc/84/32/66/1303843266.db2.gz VEUJDMINEKAQMK-UHFFFAOYSA-N 1 2 346.471 2.251 20 30 EEEDLO COc1cc(C#N)ccc1CN1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001231619094 1303866991 /nfs/dbraw/zinc/86/69/91/1303866991.db2.gz PDPDXZVAWFMHIY-UHFFFAOYSA-N 1 2 349.394 2.358 20 30 EEEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1nncn1C)C2 ZINC001111859091 1304010457 /nfs/dbraw/zinc/01/04/57/1304010457.db2.gz NPDWMBVWWVTLBJ-MPGHIAIKSA-N 1 2 331.464 2.203 20 30 EEEDLO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1nncn1C)C2 ZINC001111859091 1304010465 /nfs/dbraw/zinc/01/04/65/1304010465.db2.gz NPDWMBVWWVTLBJ-MPGHIAIKSA-N 1 2 331.464 2.203 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NCC1(Nc2nc(N(C)C)nc(C)[nH+]2)CCC1 ZINC001111888617 1304054493 /nfs/dbraw/zinc/05/44/93/1304054493.db2.gz TTXCAHWDNCSWHO-STQMWFEESA-N 1 2 346.479 2.155 20 30 EEEDLO CC(C)(C)OC(=O)NC1CC2(C1)C[NH+](Cc1cc(C#N)ccn1)C2 ZINC001232479645 1304141811 /nfs/dbraw/zinc/14/18/11/1304141811.db2.gz UVLSSFBFBVOKKL-UHFFFAOYSA-N 1 2 328.416 2.442 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CC[C@H]1O ZINC001232845881 1304270849 /nfs/dbraw/zinc/27/08/49/1304270849.db2.gz VFIIQQGPBTUFID-ZIAGYGMSSA-N 1 2 337.445 2.080 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@H]1O ZINC001232845881 1304270854 /nfs/dbraw/zinc/27/08/54/1304270854.db2.gz VFIIQQGPBTUFID-ZIAGYGMSSA-N 1 2 337.445 2.080 20 30 EEEDLO Cc1nsc(NCCC[C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)c1C#N ZINC001114970488 1304573791 /nfs/dbraw/zinc/57/37/91/1304573791.db2.gz DUMMNVFGJSAMAR-SNVBAGLBSA-N 1 2 346.460 2.294 20 30 EEEDLO C[C@@H](CCCNc1ccc(C#N)cn1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001115110650 1304693821 /nfs/dbraw/zinc/69/38/21/1304693821.db2.gz ZSMRCNCTHXXQBZ-NWANDNLSSA-N 1 2 338.415 2.177 20 30 EEEDLO C[C@@H](CCCNc1ccc(C#N)cn1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001115110650 1304693827 /nfs/dbraw/zinc/69/38/27/1304693827.db2.gz ZSMRCNCTHXXQBZ-NWANDNLSSA-N 1 2 338.415 2.177 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1)C(=O)C#CC1CC1 ZINC001234177425 1304781022 /nfs/dbraw/zinc/78/10/22/1304781022.db2.gz BVMOMDLKSDXJMC-QGZVFWFLSA-N 1 2 325.387 2.143 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1)C(=O)C#CC1CC1 ZINC001234177425 1304781025 /nfs/dbraw/zinc/78/10/25/1304781025.db2.gz BVMOMDLKSDXJMC-QGZVFWFLSA-N 1 2 325.387 2.143 20 30 EEEDLO C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1sccc1Cl ZINC001234214517 1304802680 /nfs/dbraw/zinc/80/26/80/1304802680.db2.gz BYMOCCPBWRZIHK-OLZOCXBDSA-N 1 2 340.876 2.473 20 30 EEEDLO C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1sccc1Cl ZINC001234214517 1304802688 /nfs/dbraw/zinc/80/26/88/1304802688.db2.gz BYMOCCPBWRZIHK-OLZOCXBDSA-N 1 2 340.876 2.473 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)CC1CC1 ZINC001234508917 1304945589 /nfs/dbraw/zinc/94/55/89/1304945589.db2.gz FRJHWGQBFXRALA-GOSISDBHSA-N 1 2 347.503 2.156 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC001234508917 1304945591 /nfs/dbraw/zinc/94/55/91/1304945591.db2.gz FRJHWGQBFXRALA-GOSISDBHSA-N 1 2 347.503 2.156 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N[C@@H](C)CC ZINC001234510514 1304947571 /nfs/dbraw/zinc/94/75/71/1304947571.db2.gz YNANLUYNAOQJRQ-RDJZCZTQSA-N 1 2 335.492 2.202 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N[C@@H](C)CC ZINC001234510514 1304947575 /nfs/dbraw/zinc/94/75/75/1304947575.db2.gz YNANLUYNAOQJRQ-RDJZCZTQSA-N 1 2 335.492 2.202 20 30 EEEDLO C=CCc1cc(OC)c(OC)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001234551678 1304964539 /nfs/dbraw/zinc/96/45/39/1304964539.db2.gz JWUSDHASOQSKGC-HOLCHWMESA-N 1 2 331.412 2.424 20 30 EEEDLO C=CCc1cc(OC)c(OC)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001234551678 1304964542 /nfs/dbraw/zinc/96/45/42/1304964542.db2.gz JWUSDHASOQSKGC-HOLCHWMESA-N 1 2 331.412 2.424 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N1CCCC[C@H]1C ZINC001234595582 1304980078 /nfs/dbraw/zinc/98/00/78/1304980078.db2.gz VDXDVAKXVIVFBC-SJORKVTESA-N 1 2 335.492 2.276 20 30 EEEDLO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N1CCCC[C@H]1C ZINC001234595582 1304980081 /nfs/dbraw/zinc/98/00/81/1304980081.db2.gz VDXDVAKXVIVFBC-SJORKVTESA-N 1 2 335.492 2.276 20 30 EEEDLO C=CCN1CC[C@H](OC(=O)[C@H](c2ccccc2)[NH+](CC)CC)C1=O ZINC000798615110 1305041197 /nfs/dbraw/zinc/04/11/97/1305041197.db2.gz QFFPWQFYYDBFEE-IRXDYDNUSA-N 1 2 330.428 2.400 20 30 EEEDLO CCCCc1nc(C[NH2+]C2(CNC(=O)[C@H](C)C#N)CCCCC2)no1 ZINC001115452059 1305143407 /nfs/dbraw/zinc/14/34/07/1305143407.db2.gz OYIRRVPADMATHQ-CQSZACIVSA-N 1 2 347.463 2.481 20 30 EEEDLO C#CC[NH+]1CCN(Cc2c(F)c(Br)ccc2OC)CC1 ZINC001235488370 1305249924 /nfs/dbraw/zinc/24/99/24/1305249924.db2.gz PRYKXLKADRBRJI-UHFFFAOYSA-N 1 2 341.224 2.348 20 30 EEEDLO N#Cc1ccccc1N1CCC2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001278020684 1305701691 /nfs/dbraw/zinc/70/16/91/1305701691.db2.gz XNZACTSCERHJMU-UHFFFAOYSA-N 1 2 349.438 2.274 20 30 EEEDLO N#CCNC1(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CCCCC1 ZINC001115802943 1305817151 /nfs/dbraw/zinc/81/71/51/1305817151.db2.gz VZXFDOYOZVNCAT-UHFFFAOYSA-N 1 2 337.427 2.418 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)ccn1 ZINC001237462147 1305943400 /nfs/dbraw/zinc/94/34/00/1305943400.db2.gz GSCWWRPOOBGEBB-QGZVFWFLSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)ccn1 ZINC001237462147 1305943401 /nfs/dbraw/zinc/94/34/01/1305943401.db2.gz GSCWWRPOOBGEBB-QGZVFWFLSA-N 1 2 338.386 2.487 20 30 EEEDLO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3ccnc(C#N)c3)C2)C1 ZINC001237461911 1305943491 /nfs/dbraw/zinc/94/34/91/1305943491.db2.gz FYJYSBPIZYVKSR-UHFFFAOYSA-N 1 2 328.416 2.396 20 30 EEEDLO N#Cc1cc(C[N@@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)ccn1 ZINC001237462905 1305945027 /nfs/dbraw/zinc/94/50/27/1305945027.db2.gz MZSYSVFMHNCFLL-YQVWRLOYSA-N 1 2 336.395 2.159 20 30 EEEDLO N#Cc1cc(C[N@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)ccn1 ZINC001237462905 1305945030 /nfs/dbraw/zinc/94/50/30/1305945030.db2.gz MZSYSVFMHNCFLL-YQVWRLOYSA-N 1 2 336.395 2.159 20 30 EEEDLO C[C@@H]1CN(C2C[NH+](Cc3cn(C)c4ccc(C#N)cc34)C2)C[C@H](C)O1 ZINC001237471422 1305949027 /nfs/dbraw/zinc/94/90/27/1305949027.db2.gz DYCHTHPWWCBKTG-GASCZTMLSA-N 1 2 338.455 2.343 20 30 EEEDLO C[C@@H]1C[N@H+](C2CN(Cc3cn(C)c4ccc(C#N)cc34)C2)C[C@H](C)O1 ZINC001237471422 1305949032 /nfs/dbraw/zinc/94/90/32/1305949032.db2.gz DYCHTHPWWCBKTG-GASCZTMLSA-N 1 2 338.455 2.343 20 30 EEEDLO C[C@@H]1C[N@@H+](C2CN(Cc3cn(C)c4ccc(C#N)cc34)C2)C[C@H](C)O1 ZINC001237471422 1305949038 /nfs/dbraw/zinc/94/90/38/1305949038.db2.gz DYCHTHPWWCBKTG-GASCZTMLSA-N 1 2 338.455 2.343 20 30 EEEDLO COc1cc(C[NH+]2CCN(c3ccc(Cl)nn3)CC2)ccc1C#N ZINC001238413374 1308858872 /nfs/dbraw/zinc/85/88/72/1308858872.db2.gz QNAJRAGKKXTDSR-UHFFFAOYSA-N 1 2 343.818 2.332 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](C)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001120877658 1309807242 /nfs/dbraw/zinc/80/72/42/1309807242.db2.gz CHKXMPRCGDZMKH-BPLDGKMQSA-N 1 2 338.415 2.047 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](C)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001120877658 1309807254 /nfs/dbraw/zinc/80/72/54/1309807254.db2.gz CHKXMPRCGDZMKH-BPLDGKMQSA-N 1 2 338.415 2.047 20 30 EEEDLO C[C@@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)Nc1ccc(C#N)nc1 ZINC001120878870 1309810036 /nfs/dbraw/zinc/81/00/36/1309810036.db2.gz QJTROAVFYGEAQI-LBPRGKRZSA-N 1 2 334.383 2.402 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(C[C@@H](C)SCC)n2CC2CC2)CC1 ZINC001123579200 1310627380 /nfs/dbraw/zinc/62/73/80/1310627380.db2.gz RTFYOJGGJSFWPX-OAHLLOKOSA-N 1 2 347.532 2.127 20 30 EEEDLO COC(=O)CC[C@H]1COCC[N@@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142931982 1315802665 /nfs/dbraw/zinc/80/26/65/1315802665.db2.gz VHHZWWOYOJIYRO-HNNXBMFYSA-N 1 2 327.384 2.194 20 30 EEEDLO COC(=O)CC[C@H]1COCC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142931982 1315802669 /nfs/dbraw/zinc/80/26/69/1315802669.db2.gz VHHZWWOYOJIYRO-HNNXBMFYSA-N 1 2 327.384 2.194 20 30 EEEDLO C#CCCCC(=O)NC[C@H]1C[N@H+]([C@H](C)c2ncc(C)o2)CCCO1 ZINC001149639594 1316004101 /nfs/dbraw/zinc/00/41/01/1316004101.db2.gz NCLTWAXFNZPMCS-CVEARBPZSA-N 1 2 333.432 2.055 20 30 EEEDLO C#CCCCC(=O)NC[C@H]1C[N@@H+]([C@H](C)c2ncc(C)o2)CCCO1 ZINC001149639594 1316004104 /nfs/dbraw/zinc/00/41/04/1316004104.db2.gz NCLTWAXFNZPMCS-CVEARBPZSA-N 1 2 333.432 2.055 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1C[N@H+](Cc2ccns2)CCCO1 ZINC001150247074 1316213977 /nfs/dbraw/zinc/21/39/77/1316213977.db2.gz LUEIJQCYJPMBKK-WMLDXEAASA-N 1 2 337.489 2.453 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@H]1C[N@@H+](Cc2ccns2)CCCO1 ZINC001150247074 1316213982 /nfs/dbraw/zinc/21/39/82/1316213982.db2.gz LUEIJQCYJPMBKK-WMLDXEAASA-N 1 2 337.489 2.453 20 30 EEEDLO C=C[C@@H](C(=O)NCC[NH2+]Cc1nc(CC2CC2)no1)c1ccccc1 ZINC001151997427 1316618869 /nfs/dbraw/zinc/61/88/69/1316618869.db2.gz GLRCGMDMGGITEE-MRXNPFEDSA-N 1 2 340.427 2.198 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ncoc1C(C)C ZINC001153332199 1316812768 /nfs/dbraw/zinc/81/27/68/1316812768.db2.gz PNDZUEKSKWXDDM-CABCVRRESA-N 1 2 335.448 2.163 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ncoc1C(C)C ZINC001153332199 1316812770 /nfs/dbraw/zinc/81/27/70/1316812770.db2.gz PNDZUEKSKWXDDM-CABCVRRESA-N 1 2 335.448 2.163 20 30 EEEDLO N#Cc1ccn2ncc(C[NH+]3CC4(CN(c5ccccc5)C4=O)C3)c2c1 ZINC001249106329 1317003609 /nfs/dbraw/zinc/00/36/09/1317003609.db2.gz GMKZUOPLAFSDRH-UHFFFAOYSA-N 1 2 343.390 2.055 20 30 EEEDLO N#Cc1cccc(C[NH+]2CCC(NC(=O)C(F)(F)F)CC2)c1F ZINC001249687521 1317153926 /nfs/dbraw/zinc/15/39/26/1317153926.db2.gz GIWJPEAYLWLGFQ-UHFFFAOYSA-N 1 2 329.297 2.340 20 30 EEEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1nonc1C ZINC001157293585 1318548870 /nfs/dbraw/zinc/54/88/70/1318548870.db2.gz JEIFZHDWXUJFGK-LLVKDONJSA-N 1 2 345.378 2.029 20 30 EEEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1nonc1C ZINC001157293585 1318548879 /nfs/dbraw/zinc/54/88/79/1318548879.db2.gz JEIFZHDWXUJFGK-LLVKDONJSA-N 1 2 345.378 2.029 20 30 EEEDLO Cc1cc(C[N@H+](C)C[C@H]2CCCCN2C(=O)CSCC#N)no1 ZINC001157572909 1318721033 /nfs/dbraw/zinc/72/10/33/1318721033.db2.gz DTIIQNFYKZLNQG-OAHLLOKOSA-N 1 2 336.461 2.053 20 30 EEEDLO Cc1cc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)CSCC#N)no1 ZINC001157572909 1318721041 /nfs/dbraw/zinc/72/10/41/1318721041.db2.gz DTIIQNFYKZLNQG-OAHLLOKOSA-N 1 2 336.461 2.053 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)OC ZINC001157613937 1318747420 /nfs/dbraw/zinc/74/74/20/1318747420.db2.gz BPIAPMMFHZHXLP-QWHCGFSZSA-N 1 2 333.270 2.243 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)OC ZINC001157613937 1318747428 /nfs/dbraw/zinc/74/74/28/1318747428.db2.gz BPIAPMMFHZHXLP-QWHCGFSZSA-N 1 2 333.270 2.243 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC001157946307 1318942400 /nfs/dbraw/zinc/94/24/00/1318942400.db2.gz YLTCZLWBOYQTMA-DLBZAZTESA-N 1 2 347.459 2.143 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC001157946307 1318942406 /nfs/dbraw/zinc/94/24/06/1318942406.db2.gz YLTCZLWBOYQTMA-DLBZAZTESA-N 1 2 347.459 2.143 20 30 EEEDLO Cc1c[nH+]c(NCCNC(=O)c2ccc(Cl)cn2)c(/C=N/O)c1 ZINC001159369690 1319763968 /nfs/dbraw/zinc/76/39/68/1319763968.db2.gz NRLOWVLWDBXIEV-ODCIPOBUSA-N 1 2 333.779 2.088 20 30 EEEDLO N#Cc1ccc(C(=O)NCCC2=CC[N@H+](Cc3nccs3)CC2)[nH]1 ZINC001159835209 1320000339 /nfs/dbraw/zinc/00/03/39/1320000339.db2.gz NJYUBLACDRRVAW-UHFFFAOYSA-N 1 2 341.440 2.295 20 30 EEEDLO N#Cc1ccc(C(=O)NCCC2=CC[N@@H+](Cc3nccs3)CC2)[nH]1 ZINC001159835209 1320000343 /nfs/dbraw/zinc/00/03/43/1320000343.db2.gz NJYUBLACDRRVAW-UHFFFAOYSA-N 1 2 341.440 2.295 20 30 EEEDLO O=S(=O)(c1ccccc1)n1ccc2c1nc[nH+]c2NCCCS ZINC001159870405 1320009678 /nfs/dbraw/zinc/00/96/78/1320009678.db2.gz XFBKAVHONIZDIN-UHFFFAOYSA-N 1 2 348.453 2.400 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@@H+]([C@H](C)c2nnnn2C)CC1 ZINC001160967493 1320335856 /nfs/dbraw/zinc/33/58/56/1320335856.db2.gz JDEWHIUXLGSMLL-LSDHHAIUSA-N 1 2 346.479 2.012 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@H+]([C@H](C)c2nnnn2C)CC1 ZINC001160967493 1320335860 /nfs/dbraw/zinc/33/58/60/1320335860.db2.gz JDEWHIUXLGSMLL-LSDHHAIUSA-N 1 2 346.479 2.012 20 30 EEEDLO C#Cc1cncc(C(=O)NCCC2=CC[N@H+](Cc3ccon3)CC2)c1 ZINC001161181445 1320412305 /nfs/dbraw/zinc/41/23/05/1320412305.db2.gz NLVHVNKGFOAQDD-UHFFFAOYSA-N 1 2 336.395 2.003 20 30 EEEDLO C#Cc1cncc(C(=O)NCCC2=CC[N@@H+](Cc3ccon3)CC2)c1 ZINC001161181445 1320412310 /nfs/dbraw/zinc/41/23/10/1320412310.db2.gz NLVHVNKGFOAQDD-UHFFFAOYSA-N 1 2 336.395 2.003 20 30 EEEDLO C=C(C)CCC(=O)N1CCC(c2nnc3n2CC[N@H+](CCF)C3)CC1 ZINC001162639180 1320918828 /nfs/dbraw/zinc/91/88/28/1320918828.db2.gz PCRGNHQMXQYZOC-UHFFFAOYSA-N 1 2 349.454 2.126 20 30 EEEDLO C=C(C)CCC(=O)N1CCC(c2nnc3n2CC[N@@H+](CCF)C3)CC1 ZINC001162639180 1320918824 /nfs/dbraw/zinc/91/88/24/1320918824.db2.gz PCRGNHQMXQYZOC-UHFFFAOYSA-N 1 2 349.454 2.126 20 30 EEEDLO C=C[C@@](C)(CCOC)C(=O)NCCC[NH2+]CC(F)(F)C(F)F ZINC001163345246 1321102748 /nfs/dbraw/zinc/10/27/48/1321102748.db2.gz UKRDNUUXWAEMSP-ZDUSSCGKSA-N 1 2 328.350 2.212 20 30 EEEDLO Cn1cc([C@@H]2COC3(C2)CCN(c2cc(CC#N)cc[nH+]2)CC3)cn1 ZINC001165599023 1321551310 /nfs/dbraw/zinc/55/13/10/1321551310.db2.gz RHXOPOWBZFNNAI-INIZCTEOSA-N 1 2 337.427 2.424 20 30 EEEDLO N#Cc1ccc(N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)nc1 ZINC001165738634 1321575809 /nfs/dbraw/zinc/57/58/09/1321575809.db2.gz JPIXVDZATOQJLD-MRXNPFEDSA-N 1 2 346.394 2.260 20 30 EEEDLO COC[C@@]12CCCO[C@H]1CCN(c1[nH+]ccc3[nH]cc(C#N)c31)C2 ZINC001165955381 1321625543 /nfs/dbraw/zinc/62/55/43/1321625543.db2.gz ZJZOUIKFROGNBJ-YJBOKZPZSA-N 1 2 326.400 2.456 20 30 EEEDLO C=CCn1c(C[NH+]2CCC(CO)CC2)nnc1N1CC[C@@](C)(CC)C1 ZINC001262957546 1322405634 /nfs/dbraw/zinc/40/56/34/1322405634.db2.gz XWBKOYDUDPAKML-LJQANCHMSA-N 1 2 347.507 2.295 20 30 EEEDLO Cn1cc(C[N@@H+]2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)cc1C#N ZINC001207106139 1323852932 /nfs/dbraw/zinc/85/29/32/1323852932.db2.gz FXWISSRZOOGXIQ-HUUCEWRRSA-N 1 2 336.411 2.334 20 30 EEEDLO Cn1cc(C[N@H+]2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)cc1C#N ZINC001207106139 1323852940 /nfs/dbraw/zinc/85/29/40/1323852940.db2.gz FXWISSRZOOGXIQ-HUUCEWRRSA-N 1 2 336.411 2.334 20 30 EEEDLO Cn1cc(C[N@@H+]2CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)cc1C#N ZINC001207106137 1323853159 /nfs/dbraw/zinc/85/31/59/1323853159.db2.gz FXWISSRZOOGXIQ-CABCVRRESA-N 1 2 336.411 2.334 20 30 EEEDLO Cn1cc(C[N@H+]2CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)cc1C#N ZINC001207106137 1323853164 /nfs/dbraw/zinc/85/31/64/1323853164.db2.gz FXWISSRZOOGXIQ-CABCVRRESA-N 1 2 336.411 2.334 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2nncn2C)C[C@H]1C ZINC001207108026 1323854421 /nfs/dbraw/zinc/85/44/21/1323854421.db2.gz UVAOMDOIFBXBEV-IIAWOOMASA-N 1 2 331.464 2.081 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nncn2C)C[C@H]1C ZINC001207108026 1323854426 /nfs/dbraw/zinc/85/44/26/1323854426.db2.gz UVAOMDOIFBXBEV-IIAWOOMASA-N 1 2 331.464 2.081 20 30 EEEDLO Cc1ccc2ncc(C[NH+]3CC4(C[C@@H]4C(=O)NC4(C#N)CCC4)C3)n2c1 ZINC001279879174 1324022218 /nfs/dbraw/zinc/02/22/18/1324022218.db2.gz JLBSUNKQGQKXMX-MRXNPFEDSA-N 1 2 349.438 2.027 20 30 EEEDLO C=CCCC(=O)N1CCC[C@H]([NH2+]Cc2nc([C@H](C)OCC)no2)C1 ZINC001207656801 1324073538 /nfs/dbraw/zinc/07/35/38/1324073538.db2.gz NNVZTUPDGFNHOA-KBPBESRZSA-N 1 2 336.436 2.214 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC2(C[C@H]2C(=O)Nc2ccc(O)cc2O)C1 ZINC001280288590 1324143823 /nfs/dbraw/zinc/14/38/23/1324143823.db2.gz QQRKOVRYIWCMPG-INIZCTEOSA-N 1 2 349.390 2.430 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3cncc(OC)n3)C[C@H]2C)CCC1 ZINC001208517726 1324539500 /nfs/dbraw/zinc/53/95/00/1324539500.db2.gz RXUCNJZJNLXCQH-GDBMZVCRSA-N 1 2 344.459 2.168 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3cncc(OC)n3)C[C@H]2C)CCC1 ZINC001208517726 1324539505 /nfs/dbraw/zinc/53/95/05/1324539505.db2.gz RXUCNJZJNLXCQH-GDBMZVCRSA-N 1 2 344.459 2.168 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1CC(C)(C)C(=O)CC ZINC001208915133 1324716957 /nfs/dbraw/zinc/71/69/57/1324716957.db2.gz DKWBUGMPRYZFFQ-OAHLLOKOSA-N 1 2 334.464 2.405 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1CC(C)(C)C(=O)CC ZINC001208915133 1324716961 /nfs/dbraw/zinc/71/69/61/1324716961.db2.gz DKWBUGMPRYZFFQ-OAHLLOKOSA-N 1 2 334.464 2.405 20 30 EEEDLO C=CCN(CCN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1)C(=O)OCC ZINC001209023386 1324766579 /nfs/dbraw/zinc/76/65/79/1324766579.db2.gz DVXQGXYOAORMQS-HNNXBMFYSA-N 1 2 345.434 2.436 20 30 EEEDLO Cc1[nH]ncc1C[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001209555440 1324968365 /nfs/dbraw/zinc/96/83/65/1324968365.db2.gz BJAYNKLVFJPVFQ-IBGZPJMESA-N 1 2 335.411 2.219 20 30 EEEDLO Cc1[nH]ncc1C[N@H+]1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001209555440 1324968369 /nfs/dbraw/zinc/96/83/69/1324968369.db2.gz BJAYNKLVFJPVFQ-IBGZPJMESA-N 1 2 335.411 2.219 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001282143033 1325632313 /nfs/dbraw/zinc/63/23/13/1325632313.db2.gz YLUMPYGTNIFKQX-JKSUJKDBSA-N 1 2 346.475 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1337505935 /nfs/dbraw/zinc/50/59/35/1337505935.db2.gz YTJBEGHIKVXVEW-IAGOWNOFSA-N 1 2 345.491 2.319 20 30 EEEDLO C#CCN(CC)c1nnc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC(C)C ZINC001347358033 1337505938 /nfs/dbraw/zinc/50/59/38/1337505938.db2.gz YTJBEGHIKVXVEW-IAGOWNOFSA-N 1 2 345.491 2.319 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001351656408 1337834678 /nfs/dbraw/zinc/83/46/78/1337834678.db2.gz GCOGASGIXUDGHL-OAHLLOKOSA-N 1 2 333.480 2.454 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@@H](O)CC3CCCCC3)n2CC)CC1 ZINC001352212943 1337906207 /nfs/dbraw/zinc/90/62/07/1337906207.db2.gz MWXMMXQVEUMXQI-KRWDZBQOSA-N 1 2 345.491 2.057 20 30 EEEDLO C=C(Br)C[NH2+]C1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001100348983 1338294000 /nfs/dbraw/zinc/29/40/00/1338294000.db2.gz NHCJOKCEPPDYLW-HACHORDNSA-N 1 2 347.150 2.280 20 30 EEEDLO C=C(Br)C[NH2+]C1CC(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001100348983 1338294004 /nfs/dbraw/zinc/29/40/04/1338294004.db2.gz NHCJOKCEPPDYLW-HACHORDNSA-N 1 2 347.150 2.280 20 30 EEEDLO 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N#Cc1c[nH]c(C(=O)NCC2C[NH+](Cc3ccc(Cl)s3)C2)c1 ZINC001031602856 770069590 /nfs/dbraw/zinc/06/95/90/770069590.db2.gz VCBWVKZLPPRQRP-UHFFFAOYSA-N 1 2 334.832 2.463 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@@H]1CN(c2cc[nH+]c(C)n2)CCCO1 ZINC001089545618 770228412 /nfs/dbraw/zinc/22/84/12/770228412.db2.gz BRBFQRHXQLTRSY-OAHLLOKOSA-N 1 2 332.448 2.099 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](Cc3cnn(CC)n3)CC[C@@H]2C1 ZINC001088093018 782896474 /nfs/dbraw/zinc/89/64/74/782896474.db2.gz GLYFWNKQSHXCBF-JTDSTZFVSA-N 1 2 345.491 2.181 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(CC)n3)CC[C@@H]2C1 ZINC001088093018 782896482 /nfs/dbraw/zinc/89/64/82/782896482.db2.gz GLYFWNKQSHXCBF-JTDSTZFVSA-N 1 2 345.491 2.181 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)c2ncc(C)o2)C1 ZINC001032040742 782939328 /nfs/dbraw/zinc/93/93/28/782939328.db2.gz SZPBVCPVPOYIDH-XIRDDKMYSA-N 1 2 347.459 2.463 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]([N@H+](C)Cc2nocc2C)C1 ZINC000980270271 774223433 /nfs/dbraw/zinc/22/34/33/774223433.db2.gz OKUDDMMIMIGLTM-SFHVURJKSA-N 1 2 337.423 2.240 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]([N@@H+](C)Cc2nocc2C)C1 ZINC000980270271 774223438 /nfs/dbraw/zinc/22/34/38/774223438.db2.gz OKUDDMMIMIGLTM-SFHVURJKSA-N 1 2 337.423 2.240 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ncn(-c2ccccc2)n1 ZINC001027954194 774959937 /nfs/dbraw/zinc/95/99/37/774959937.db2.gz HASSTPYTKSUKTG-HNNXBMFYSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ncn(-c2ccccc2)n1 ZINC001027954194 774959941 /nfs/dbraw/zinc/95/99/41/774959941.db2.gz HASSTPYTKSUKTG-HNNXBMFYSA-N 1 2 345.834 2.214 20 30 EEEDLO COC1CC(C(=O)NCC2C[NH+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC001031756042 775021742 /nfs/dbraw/zinc/02/17/42/775021742.db2.gz VEFPHODLYAPXLE-UHFFFAOYSA-N 1 2 346.858 2.165 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000060455586 790370340 /nfs/dbraw/zinc/37/03/40/790370340.db2.gz MWLMXUKJSXPIHV-UHFFFAOYSA-N 1 2 349.337 2.443 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2cnccn2)C[C@H]1OC ZINC001212320974 775701651 /nfs/dbraw/zinc/70/16/51/775701651.db2.gz LWEYQFGXWZQQAT-ZTFGCOKTSA-N 1 2 344.459 2.121 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cnccn2)C[C@H]1OC ZINC001212320974 775701655 /nfs/dbraw/zinc/70/16/55/775701655.db2.gz LWEYQFGXWZQQAT-ZTFGCOKTSA-N 1 2 344.459 2.121 20 30 EEEDLO C=CCCC(=O)NCCC1(CNc2[nH+]cnc3c2cnn3C)CC1 ZINC001089921428 790386407 /nfs/dbraw/zinc/38/64/07/790386407.db2.gz UZLZMINWVZIEGA-UHFFFAOYSA-N 1 2 328.420 2.028 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc(Br)c[nH]2)C1 ZINC001031822866 776568643 /nfs/dbraw/zinc/56/86/43/776568643.db2.gz FHIIXMUMITZYJE-UHFFFAOYSA-N 1 2 332.629 2.191 20 30 EEEDLO O=C(C#CC1CC1)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000981125634 776599097 /nfs/dbraw/zinc/59/90/97/776599097.db2.gz HZPBGFZFWKLLBZ-UHFFFAOYSA-N 1 2 327.384 2.043 20 30 EEEDLO O=C(C#CC1CC1)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000981125634 776599108 /nfs/dbraw/zinc/59/91/08/776599108.db2.gz HZPBGFZFWKLLBZ-UHFFFAOYSA-N 1 2 327.384 2.043 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)c2c[nH]cc2-c2cnn(C)c2)CC1 ZINC000981146955 776625647 /nfs/dbraw/zinc/62/56/47/776625647.db2.gz JYFWXRVAFSYHHE-UHFFFAOYSA-N 1 2 347.850 2.316 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)c2c[nH]cc2-c2cnn(C)c2)CC1 ZINC000981146955 776625652 /nfs/dbraw/zinc/62/56/52/776625652.db2.gz JYFWXRVAFSYHHE-UHFFFAOYSA-N 1 2 347.850 2.316 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001031846100 777274529 /nfs/dbraw/zinc/27/45/29/777274529.db2.gz OHQAJIUSRYOQMZ-UHFFFAOYSA-N 1 2 345.406 2.296 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)c1cc(F)c[nH]1 ZINC001031855308 777514277 /nfs/dbraw/zinc/51/42/77/777514277.db2.gz CXYAQFIQDHJWFU-UHFFFAOYSA-N 1 2 329.350 2.006 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000981754299 778140188 /nfs/dbraw/zinc/14/01/88/778140188.db2.gz BVWDBWRQFPQQOV-IRXDYDNUSA-N 1 2 349.519 2.237 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000981754299 778140192 /nfs/dbraw/zinc/14/01/92/778140192.db2.gz BVWDBWRQFPQQOV-IRXDYDNUSA-N 1 2 349.519 2.237 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1csc(C)n1 ZINC001028146411 778436414 /nfs/dbraw/zinc/43/64/14/778436414.db2.gz FVAOKXFLQFFMSH-OAGGEKHMSA-N 1 2 335.473 2.123 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1csc(C)n1 ZINC001028146411 778436418 /nfs/dbraw/zinc/43/64/18/778436418.db2.gz FVAOKXFLQFFMSH-OAGGEKHMSA-N 1 2 335.473 2.123 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCC[N@@H+]([C@@H](C)c1nncn1C)C2 ZINC000981930622 778578273 /nfs/dbraw/zinc/57/82/73/778578273.db2.gz PDJIRCSYTYUOGF-HNNXBMFYSA-N 1 2 345.491 2.403 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCC[N@H+]([C@@H](C)c1nncn1C)C2 ZINC000981930622 778578275 /nfs/dbraw/zinc/57/82/75/778578275.db2.gz PDJIRCSYTYUOGF-HNNXBMFYSA-N 1 2 345.491 2.403 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cn2ncc3ccccc32)CC1 ZINC000982246586 779359927 /nfs/dbraw/zinc/35/99/27/779359927.db2.gz QKENKYXTSFCYFU-UHFFFAOYSA-N 1 2 332.835 2.323 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cn2ncc3ccccc32)CC1 ZINC000982246586 779359933 /nfs/dbraw/zinc/35/99/33/779359933.db2.gz QKENKYXTSFCYFU-UHFFFAOYSA-N 1 2 332.835 2.323 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)c1ncccc1F ZINC001028226727 779401353 /nfs/dbraw/zinc/40/13/53/779401353.db2.gz STLMYDMYHARKPV-INIZCTEOSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)c1ncccc1F ZINC001028226727 779401354 /nfs/dbraw/zinc/40/13/54/779401354.db2.gz STLMYDMYHARKPV-INIZCTEOSA-N 1 2 338.386 2.487 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@@H]2NC(=O)c3ccccc32)CC1 ZINC000982335199 779759589 /nfs/dbraw/zinc/75/95/89/779759589.db2.gz JZIFJPUTYSVGFK-INIZCTEOSA-N 1 2 347.846 2.148 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@@H]2NC(=O)c3ccccc32)CC1 ZINC000982335199 779759596 /nfs/dbraw/zinc/75/95/96/779759596.db2.gz JZIFJPUTYSVGFK-INIZCTEOSA-N 1 2 347.846 2.148 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)c2ncc(C)o2)cn1 ZINC001028270776 779840484 /nfs/dbraw/zinc/84/04/84/779840484.db2.gz SCCZFQBHELSIFH-YOEHRIQHSA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)c2ncc(C)o2)cn1 ZINC001028270776 779840490 /nfs/dbraw/zinc/84/04/90/779840490.db2.gz SCCZFQBHELSIFH-YOEHRIQHSA-N 1 2 338.411 2.315 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@]2(C)C[N@@H+](Cc3cn(CC)nn3)C[C@]2(C)C1 ZINC000982430727 780123408 /nfs/dbraw/zinc/12/34/08/780123408.db2.gz DBHXKFQGGVXPEF-KDURUIRLSA-N 1 2 345.491 2.181 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@]2(C)C[N@H+](Cc3cn(CC)nn3)C[C@]2(C)C1 ZINC000982430727 780123418 /nfs/dbraw/zinc/12/34/18/780123418.db2.gz DBHXKFQGGVXPEF-KDURUIRLSA-N 1 2 345.491 2.181 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1conc1C1CC1 ZINC001031969165 781002299 /nfs/dbraw/zinc/00/22/99/781002299.db2.gz ZMFCDXKNBWDEFO-UHFFFAOYSA-N 1 2 335.407 2.265 20 30 EEEDLO CCc1cnc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2CC)o1 ZINC001087534663 781740438 /nfs/dbraw/zinc/74/04/38/781740438.db2.gz FNGGCMIAVSVATI-GOEBONIOSA-N 1 2 341.415 2.220 20 30 EEEDLO CCc1cnc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2CC)o1 ZINC001087534663 781740442 /nfs/dbraw/zinc/74/04/42/781740442.db2.gz FNGGCMIAVSVATI-GOEBONIOSA-N 1 2 341.415 2.220 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)no2)C[C@@H]1C ZINC000942123220 781772910 /nfs/dbraw/zinc/77/29/10/781772910.db2.gz RKJSELFEXJRUCW-DZGCQCFKSA-N 1 2 343.431 2.006 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2nc(C)no2)C[C@@H]1C ZINC000942123220 781772920 /nfs/dbraw/zinc/77/29/20/781772920.db2.gz RKJSELFEXJRUCW-DZGCQCFKSA-N 1 2 343.431 2.006 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)CSCC#N)C[N@@H+]1Cc1ccccc1C#N ZINC001131830435 783325413 /nfs/dbraw/zinc/32/54/13/783325413.db2.gz RFSWJXVSRHMCQJ-RHSMWYFYSA-N 1 2 342.468 2.284 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)CSCC#N)C[N@H+]1Cc1ccccc1C#N ZINC001131830435 783325422 /nfs/dbraw/zinc/32/54/22/783325422.db2.gz RFSWJXVSRHMCQJ-RHSMWYFYSA-N 1 2 342.468 2.284 20 30 EEEDLO Cc1nc([C@@H](C)[NH2+][C@H]2CCCCCN(C(=O)C#CC3CC3)C2)no1 ZINC001088310814 783464003 /nfs/dbraw/zinc/46/40/03/783464003.db2.gz FOWNJYIEYTVGCV-CJNGLKHVSA-N 1 2 330.432 2.213 20 30 EEEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC2CC2)cc1C#N ZINC001032243830 783637016 /nfs/dbraw/zinc/63/70/16/783637016.db2.gz DVKOFLBLUIFVGU-IRXDYDNUSA-N 1 2 325.412 2.152 20 30 EEEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC2CC2)cc1C#N ZINC001032243830 783637022 /nfs/dbraw/zinc/63/70/22/783637022.db2.gz DVKOFLBLUIFVGU-IRXDYDNUSA-N 1 2 325.412 2.152 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C)C1 ZINC000945295182 783798791 /nfs/dbraw/zinc/79/87/91/783798791.db2.gz PZZRVZPJQUXZFX-GJZGRUSLSA-N 1 2 344.459 2.052 20 30 EEEDLO C#CCn1cc(CNC(=O)C[N@@H+](CC)Cc2ccccc2Cl)cn1 ZINC000816372084 783950752 /nfs/dbraw/zinc/95/07/52/783950752.db2.gz VBSOZWXLXRZIHJ-UHFFFAOYSA-N 1 2 344.846 2.308 20 30 EEEDLO C#CCn1cc(CNC(=O)C[N@H+](CC)Cc2ccccc2Cl)cn1 ZINC000816372084 783950758 /nfs/dbraw/zinc/95/07/58/783950758.db2.gz VBSOZWXLXRZIHJ-UHFFFAOYSA-N 1 2 344.846 2.308 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)NC(=O)CO3)c1 ZINC000816493630 784057878 /nfs/dbraw/zinc/05/78/78/784057878.db2.gz INOXLWWOYRJOCA-UHFFFAOYSA-N 1 2 349.390 2.069 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc3c(c2)NC(=O)CO3)c1 ZINC000816493630 784057886 /nfs/dbraw/zinc/05/78/86/784057886.db2.gz INOXLWWOYRJOCA-UHFFFAOYSA-N 1 2 349.390 2.069 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ncoc2-c2ccccc2)C1 ZINC001035388060 784427715 /nfs/dbraw/zinc/42/77/15/784427715.db2.gz ABBGIUWDVAVBOD-MRXNPFEDSA-N 1 2 341.411 2.348 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ncoc2-c2ccccc2)C1 ZINC001035388060 784427749 /nfs/dbraw/zinc/42/77/49/784427749.db2.gz ABBGIUWDVAVBOD-MRXNPFEDSA-N 1 2 341.411 2.348 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2coc(Br)c2)C1 ZINC001035391381 784432652 /nfs/dbraw/zinc/43/26/52/784432652.db2.gz NTPYWLUSRVCGBQ-GFCCVEGCSA-N 1 2 343.221 2.049 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2coc(Br)c2)C1 ZINC001035391381 784432659 /nfs/dbraw/zinc/43/26/59/784432659.db2.gz NTPYWLUSRVCGBQ-GFCCVEGCSA-N 1 2 343.221 2.049 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc3scnc3c2)C1 ZINC001035569072 784700920 /nfs/dbraw/zinc/70/09/20/784700920.db2.gz ICMLHPGDOJHVNC-CQSZACIVSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc3scnc3c2)C1 ZINC001035569072 784700926 /nfs/dbraw/zinc/70/09/26/784700926.db2.gz ICMLHPGDOJHVNC-CQSZACIVSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC001035572021 784706920 /nfs/dbraw/zinc/70/69/20/784706920.db2.gz OXUXBEDTNMTNRN-INIZCTEOSA-N 1 2 325.412 2.298 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2[nH]ccc2-c2ccccc2)C1 ZINC001035572021 784706924 /nfs/dbraw/zinc/70/69/24/784706924.db2.gz OXUXBEDTNMTNRN-INIZCTEOSA-N 1 2 325.412 2.298 20 30 EEEDLO CCC1(CC)CCN(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000817361829 784740047 /nfs/dbraw/zinc/74/00/47/784740047.db2.gz ITDMCQCVLZZBBX-INIZCTEOSA-N 1 2 342.443 2.403 20 30 EEEDLO CCC1(CC)CCN(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000817361829 784740048 /nfs/dbraw/zinc/74/00/48/784740048.db2.gz ITDMCQCVLZZBBX-INIZCTEOSA-N 1 2 342.443 2.403 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(OCC(C)C)cc2)C1 ZINC001035603241 784765044 /nfs/dbraw/zinc/76/50/44/784765044.db2.gz PMSJHJSBUKJENW-GOSISDBHSA-N 1 2 332.444 2.338 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(OCC(C)C)cc2)C1 ZINC001035603241 784765049 /nfs/dbraw/zinc/76/50/49/784765049.db2.gz PMSJHJSBUKJENW-GOSISDBHSA-N 1 2 332.444 2.338 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001035604145 784766681 /nfs/dbraw/zinc/76/66/81/784766681.db2.gz HDFAREALZRIJJH-CQSZACIVSA-N 1 2 343.427 2.183 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001035604145 784766687 /nfs/dbraw/zinc/76/66/87/784766687.db2.gz HDFAREALZRIJJH-CQSZACIVSA-N 1 2 343.427 2.183 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnc(-c3ccco3)s2)C1 ZINC001035587523 784794143 /nfs/dbraw/zinc/79/41/43/784794143.db2.gz BXVNZYVJFONRST-ZDUSSCGKSA-N 1 2 347.440 2.410 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnc(-c3ccco3)s2)C1 ZINC001035587523 784794144 /nfs/dbraw/zinc/79/41/44/784794144.db2.gz BXVNZYVJFONRST-ZDUSSCGKSA-N 1 2 347.440 2.410 20 30 EEEDLO N#CCOc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccoc2)cc1 ZINC001032277948 784985299 /nfs/dbraw/zinc/98/52/99/784985299.db2.gz BXWJJEWRSFTYBN-IRXDYDNUSA-N 1 2 337.379 2.281 20 30 EEEDLO N#CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccoc2)cc1 ZINC001032277948 784985301 /nfs/dbraw/zinc/98/53/01/784985301.db2.gz BXWJJEWRSFTYBN-IRXDYDNUSA-N 1 2 337.379 2.281 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H](OC)C1)CC2 ZINC001035741502 785056682 /nfs/dbraw/zinc/05/66/82/785056682.db2.gz MRHIDUPIOZXZGO-HUUCEWRRSA-N 1 2 326.868 2.478 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CCc1ccnc(C)n1)CC2 ZINC001035754669 785063806 /nfs/dbraw/zinc/06/38/06/785063806.db2.gz GOINVACYQXJZEU-UHFFFAOYSA-N 1 2 348.878 2.395 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCOC[C@H]1C)CC2 ZINC001035788601 785130756 /nfs/dbraw/zinc/13/07/56/785130756.db2.gz FWVRSDWXCSXTJY-HIFRSBDPSA-N 1 2 326.868 2.336 20 30 EEEDLO CC(C)c1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@]3(C)C2)s1 ZINC001091544970 791101797 /nfs/dbraw/zinc/10/17/97/791101797.db2.gz JIJONGBYDILMMN-AHIWAGSCSA-N 1 2 347.488 2.101 20 30 EEEDLO CC(C)c1nnc(C[N@H+]2C[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@]3(C)C2)s1 ZINC001091544970 791101804 /nfs/dbraw/zinc/10/18/04/791101804.db2.gz JIJONGBYDILMMN-AHIWAGSCSA-N 1 2 347.488 2.101 20 30 EEEDLO Cc1cc(NC/C=C\CNC(=O)c2ccc(C#N)[nH]2)nc(C2CC2)[nH+]1 ZINC001107127950 785333841 /nfs/dbraw/zinc/33/38/41/785333841.db2.gz QBHRMMKUOBKZSQ-IHWYPQMZSA-N 1 2 336.399 2.260 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)c3cn(C)c(C)cc3=O)CCC[C@@H]12 ZINC000991176400 786138697 /nfs/dbraw/zinc/13/86/97/786138697.db2.gz QMQMIWRVIHVAPM-SJLPKXTDSA-N 1 2 349.862 2.173 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)c3cn(C)c(C)cc3=O)CCC[C@@H]12 ZINC000991176400 786138699 /nfs/dbraw/zinc/13/86/99/786138699.db2.gz QMQMIWRVIHVAPM-SJLPKXTDSA-N 1 2 349.862 2.173 20 30 EEEDLO N#Cc1ncc(N[C@@H]2CCC[N@@H+](C3COC3)C2)cc1C(F)(F)F ZINC001168373026 786196045 /nfs/dbraw/zinc/19/60/45/786196045.db2.gz ORYZZRDHQDVQLD-SNVBAGLBSA-N 1 2 326.322 2.247 20 30 EEEDLO N#Cc1ncc(N[C@@H]2CCC[N@H+](C3COC3)C2)cc1C(F)(F)F ZINC001168373026 786196048 /nfs/dbraw/zinc/19/60/48/786196048.db2.gz ORYZZRDHQDVQLD-SNVBAGLBSA-N 1 2 326.322 2.247 20 30 EEEDLO O=C(NCC[NH2+]CC#Cc1ccccc1Cl)C(F)C(F)(F)F ZINC001127731014 786219392 /nfs/dbraw/zinc/21/93/92/786219392.db2.gz CNUKHFBETVDFRG-GFCCVEGCSA-N 1 2 336.716 2.298 20 30 EEEDLO O=C(NCC[NH2+]CC#Cc1ccccc1Cl)[C@@H](F)C(F)(F)F ZINC001127731014 786219397 /nfs/dbraw/zinc/21/93/97/786219397.db2.gz CNUKHFBETVDFRG-GFCCVEGCSA-N 1 2 336.716 2.298 20 30 EEEDLO C#Cc1ccc(C(=O)NC/C=C\CNc2cc(C)[nH+]c(C3CC3)n2)nc1 ZINC001107268786 786668042 /nfs/dbraw/zinc/66/80/42/786668042.db2.gz AKULIDVZSDAKIH-PLNGDYQASA-N 1 2 347.422 2.437 20 30 EEEDLO Cc1nc(NC/C=C\CNC(=O)c2cccc3[nH+]ccn32)ccc1C#N ZINC001107411113 787182780 /nfs/dbraw/zinc/18/27/80/787182780.db2.gz FVNZNGLCHQRENO-IHWYPQMZSA-N 1 2 346.394 2.308 20 30 EEEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCc1c(F)cccc1F ZINC001032318419 787226053 /nfs/dbraw/zinc/22/60/53/787226053.db2.gz NBOSCZYRFJIBCQ-IHRRRGAJSA-N 1 2 333.382 2.342 20 30 EEEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCc1c(F)cccc1F ZINC001032318419 787226058 /nfs/dbraw/zinc/22/60/58/787226058.db2.gz NBOSCZYRFJIBCQ-IHRRRGAJSA-N 1 2 333.382 2.342 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(OC)n1 ZINC001109634654 805783251 /nfs/dbraw/zinc/78/32/51/805783251.db2.gz SQFAGCJTCCPEPL-SIXLDLHFSA-N 1 2 344.459 2.309 20 30 EEEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(OC)n1 ZINC001109634654 805783254 /nfs/dbraw/zinc/78/32/54/805783254.db2.gz SQFAGCJTCCPEPL-SIXLDLHFSA-N 1 2 344.459 2.309 20 30 EEEDLO N#Cc1ccc(NCC=CCNC(=O)c2cc3c[nH+]ccc3[nH]2)cn1 ZINC001107591141 787755467 /nfs/dbraw/zinc/75/54/67/787755467.db2.gz CQGMUKUZWWETKI-OWOJBTEDSA-N 1 2 332.367 2.228 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3sccc3[nH]2)[C@H](O)C1 ZINC001090699388 787856721 /nfs/dbraw/zinc/85/67/21/787856721.db2.gz CACKORUGESVTCX-GXFFZTMASA-N 1 2 339.848 2.147 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3sccc3[nH]2)[C@H](O)C1 ZINC001090699388 787856730 /nfs/dbraw/zinc/85/67/30/787856730.db2.gz CACKORUGESVTCX-GXFFZTMASA-N 1 2 339.848 2.147 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)C1CC(Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001127052773 787875913 /nfs/dbraw/zinc/87/59/13/787875913.db2.gz GEATYBYEAGGFCG-UHFFFAOYSA-N 1 2 346.479 2.250 20 30 EEEDLO N#CCOc1cccc(CNC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000113410769 787939523 /nfs/dbraw/zinc/93/95/23/787939523.db2.gz YPLFVAPCFPYEMN-UHFFFAOYSA-N 1 2 339.399 2.285 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001062364290 787970463 /nfs/dbraw/zinc/97/04/63/787970463.db2.gz NZWRDCJPXQJMTA-OAHLLOKOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cncn2C)CC1 ZINC001109676177 805857460 /nfs/dbraw/zinc/85/74/60/805857460.db2.gz VMPIDDZXUPPQEF-PVAVHDDUSA-N 1 2 328.460 2.388 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cncn2C)CC1 ZINC001109676177 805857470 /nfs/dbraw/zinc/85/74/70/805857470.db2.gz VMPIDDZXUPPQEF-PVAVHDDUSA-N 1 2 328.460 2.388 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(CF)cc2)[C@@H](O)C1 ZINC001090838700 788511881 /nfs/dbraw/zinc/51/18/81/788511881.db2.gz FUQSREDFJGZDPI-CABCVRRESA-N 1 2 326.799 2.074 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(CF)cc2)[C@@H](O)C1 ZINC001090838700 788511894 /nfs/dbraw/zinc/51/18/94/788511894.db2.gz FUQSREDFJGZDPI-CABCVRRESA-N 1 2 326.799 2.074 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H](CNc2nc(N(C)C)nc(C)[nH+]2)[C@@H](C)C1 ZINC001090264338 788535070 /nfs/dbraw/zinc/53/50/70/788535070.db2.gz ZCKJCRUXHHKVFB-ZFWWWQNUSA-N 1 2 346.479 2.109 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnc(C(C)C)s2)[C@@H](O)C1 ZINC001090859313 788606950 /nfs/dbraw/zinc/60/69/50/788606950.db2.gz VBMNLXBCBVEFJJ-RYUDHWBXSA-N 1 2 343.880 2.184 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnc(C(C)C)s2)[C@@H](O)C1 ZINC001090859313 788606956 /nfs/dbraw/zinc/60/69/56/788606956.db2.gz VBMNLXBCBVEFJJ-RYUDHWBXSA-N 1 2 343.880 2.184 20 30 EEEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000151214196 788722099 /nfs/dbraw/zinc/72/20/99/788722099.db2.gz AJPKCZCBLOAORD-WBVHZDCISA-N 1 2 347.459 2.229 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2nc(C(C)C)oc2C)[C@H](O)C1 ZINC001090267031 788730405 /nfs/dbraw/zinc/73/04/05/788730405.db2.gz YXNWXOSBLSQKRP-CHWSQXEVSA-N 1 2 341.839 2.024 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2nc(C(C)C)oc2C)[C@H](O)C1 ZINC001090267031 788730415 /nfs/dbraw/zinc/73/04/15/788730415.db2.gz YXNWXOSBLSQKRP-CHWSQXEVSA-N 1 2 341.839 2.024 20 30 EEEDLO Cc1ccn(C)c1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032372722 788732875 /nfs/dbraw/zinc/73/28/75/788732875.db2.gz GVQAOVLGBDPBCO-ROUUACIJSA-N 1 2 334.423 2.304 20 30 EEEDLO Cc1ccn(C)c1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032372722 788732881 /nfs/dbraw/zinc/73/28/81/788732881.db2.gz GVQAOVLGBDPBCO-ROUUACIJSA-N 1 2 334.423 2.304 20 30 EEEDLO C=CCSc1ccccc1C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913462764 788903820 /nfs/dbraw/zinc/90/38/20/788903820.db2.gz OHCZGFXZHCPMDB-MRXNPFEDSA-N 1 2 342.468 2.485 20 30 EEEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(C(F)F)CC2)c1 ZINC001032402004 789155855 /nfs/dbraw/zinc/15/58/55/789155855.db2.gz KAXKIRVERTVGDI-GJZGRUSLSA-N 1 2 331.366 2.389 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(C(F)F)CC2)c1 ZINC001032402004 789155866 /nfs/dbraw/zinc/15/58/66/789155866.db2.gz KAXKIRVERTVGDI-GJZGRUSLSA-N 1 2 331.366 2.389 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCCC[C@H]2CNc2cc[nH+]c(C)n2)cn1 ZINC001060262315 789203358 /nfs/dbraw/zinc/20/33/58/789203358.db2.gz QHINIHDPTLXGOQ-KRWDZBQOSA-N 1 2 335.411 2.268 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001109767861 805951043 /nfs/dbraw/zinc/95/10/43/805951043.db2.gz OCOXBCVIDSOWQS-ORQFMDKSSA-N 1 2 347.503 2.225 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C1CC1 ZINC001109767861 805951050 /nfs/dbraw/zinc/95/10/50/805951050.db2.gz OCOXBCVIDSOWQS-ORQFMDKSSA-N 1 2 347.503 2.225 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cnnn1CC ZINC001109769749 805953822 /nfs/dbraw/zinc/95/38/22/805953822.db2.gz RXURMBGOGXMUHI-KBMXLJTQSA-N 1 2 331.464 2.122 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cnnn1CC ZINC001109769749 805953826 /nfs/dbraw/zinc/95/38/26/805953826.db2.gz RXURMBGOGXMUHI-KBMXLJTQSA-N 1 2 331.464 2.122 20 30 EEEDLO COc1ccc(C[N@@H+]2CCO[C@](C)(CNC(=O)C#CC(C)C)C2)cc1 ZINC001107926934 789337795 /nfs/dbraw/zinc/33/77/95/789337795.db2.gz QCMMTRYBDZZSMS-HXUWFJFHSA-N 1 2 344.455 2.062 20 30 EEEDLO COc1ccc(C[N@H+]2CCO[C@](C)(CNC(=O)C#CC(C)C)C2)cc1 ZINC001107926934 789337802 /nfs/dbraw/zinc/33/78/02/789337802.db2.gz QCMMTRYBDZZSMS-HXUWFJFHSA-N 1 2 344.455 2.062 20 30 EEEDLO Cc1nc(NC[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001060826311 789553428 /nfs/dbraw/zinc/55/34/28/789553428.db2.gz WAPCORYYMXTDIB-OCCSQVGLSA-N 1 2 327.432 2.084 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc3ncccc3c2)C1 ZINC001108181130 789598265 /nfs/dbraw/zinc/59/82/65/789598265.db2.gz SFCGPYJYKXMHQT-LJQANCHMSA-N 1 2 325.412 2.242 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc3ncccc3c2)C1 ZINC001108181130 789598271 /nfs/dbraw/zinc/59/82/71/789598271.db2.gz SFCGPYJYKXMHQT-LJQANCHMSA-N 1 2 325.412 2.242 20 30 EEEDLO C=C[C@H](CC(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC001105863946 789877715 /nfs/dbraw/zinc/87/77/15/789877715.db2.gz WFKLUSHWPXIRRD-WBVHZDCISA-N 1 2 340.427 2.034 20 30 EEEDLO 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347.459 2.389 20 30 EEEDLO C=CCOCC(=O)N1CCC[C@H](C)[C@@H]1CCNc1cc[nH+]c(C)n1 ZINC001091658555 791968951 /nfs/dbraw/zinc/96/89/51/791968951.db2.gz RFHIKFKPJOTOLU-HOCLYGCPSA-N 1 2 332.448 2.417 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO[C@H]2CC2(F)F)C1 ZINC001032613901 792344827 /nfs/dbraw/zinc/34/48/27/792344827.db2.gz AUOQDQYEOZVKPN-IHRRRGAJSA-N 1 2 326.387 2.052 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO[C@H]2CC2(F)F)C1 ZINC001032613901 792344834 /nfs/dbraw/zinc/34/48/34/792344834.db2.gz AUOQDQYEOZVKPN-IHRRRGAJSA-N 1 2 326.387 2.052 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO[C@@H]2CC2(F)F)C1 ZINC001032613902 792345820 /nfs/dbraw/zinc/34/58/20/792345820.db2.gz AUOQDQYEOZVKPN-MELADBBJSA-N 1 2 326.387 2.052 20 30 EEEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO[C@@H]2CC2(F)F)C1 ZINC001032613902 792345829 /nfs/dbraw/zinc/34/58/29/792345829.db2.gz AUOQDQYEOZVKPN-MELADBBJSA-N 1 2 326.387 2.052 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCC1(NC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001064110182 792428542 /nfs/dbraw/zinc/42/85/42/792428542.db2.gz SWCWANFZLSBSCU-MRXNPFEDSA-N 1 2 346.475 2.421 20 30 EEEDLO Cc1nc(N2C[C@H](NC(=O)CSCC#N)CC[C@@H]2C)c(C)c(C)[nH+]1 ZINC001089121413 792482717 /nfs/dbraw/zinc/48/27/17/792482717.db2.gz BEXJRSGVWQWFPK-XHDPSFHLSA-N 1 2 347.488 2.132 20 30 EEEDLO C=CC[NH2+][C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)CC[C@@H]1C(F)(F)F ZINC000998296037 792498399 /nfs/dbraw/zinc/49/83/99/792498399.db2.gz PEZAMUYJEMJLLP-FZMZJTMJSA-N 1 2 342.365 2.456 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1csc(C)n1)C2 ZINC001148900195 792770532 /nfs/dbraw/zinc/77/05/32/792770532.db2.gz UZEGWSGZQFUVFQ-CYBMUJFWSA-N 1 2 335.473 2.077 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1csc(C)n1)C2 ZINC001148900195 792770537 /nfs/dbraw/zinc/77/05/37/792770537.db2.gz UZEGWSGZQFUVFQ-CYBMUJFWSA-N 1 2 335.473 2.077 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NCC1(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001064400078 793038877 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C#Cc1cncc(C(=O)N2CC[C@H](Nc3cc[nH+]c(C)n3)C[C@@H]2C)c1 ZINC001064825025 793839863 /nfs/dbraw/zinc/83/98/63/793839863.db2.gz CRYQQIWVFJPJGO-GUYCJALGSA-N 1 2 335.411 2.267 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC(C)(C)C1)c1nccn12 ZINC001092393160 793891895 /nfs/dbraw/zinc/89/18/95/793891895.db2.gz VFPPYGFQVMGSLB-LSDHHAIUSA-N 1 2 328.460 2.467 20 30 EEEDLO CCCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)cn1 ZINC001032656108 793953345 /nfs/dbraw/zinc/95/33/45/793953345.db2.gz MLOUPWDXHVVGEB-OALUTQOASA-N 1 2 349.438 2.264 20 30 EEEDLO CCCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)cn1 ZINC001032656108 793953352 /nfs/dbraw/zinc/95/33/52/793953352.db2.gz MLOUPWDXHVVGEB-OALUTQOASA-N 1 2 349.438 2.264 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)C1CCCC1)c1nccn12 ZINC001092407356 793955196 /nfs/dbraw/zinc/95/51/96/793955196.db2.gz JBRBYNGJKNLXPH-DOTOQJQBSA-N 1 2 340.471 2.305 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1sccc1OC)c1nccn12 ZINC001092407527 793956038 /nfs/dbraw/zinc/95/60/38/793956038.db2.gz NCFQQOAJXJZWEW-LBPRGKRZSA-N 1 2 344.440 2.025 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)c(F)cc2F)[C@H](O)C1 ZINC001090354188 794155924 /nfs/dbraw/zinc/15/59/24/794155924.db2.gz IMYMPGCNERQSDD-HUUCEWRRSA-N 1 2 344.789 2.191 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)c(F)cc2F)[C@H](O)C1 ZINC001090354188 794155926 /nfs/dbraw/zinc/15/59/26/794155926.db2.gz IMYMPGCNERQSDD-HUUCEWRRSA-N 1 2 344.789 2.191 20 30 EEEDLO C[C@H](CC(=O)N[C@@H](CNc1ccc(C#N)cn1)C1CC1)n1cc[nH+]c1 ZINC001109991289 806341667 /nfs/dbraw/zinc/34/16/67/806341667.db2.gz FUEICIPXGIZUEN-CJNGLKHVSA-N 1 2 338.415 2.108 20 30 EEEDLO Cc1ncoc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC001079535468 794874847 /nfs/dbraw/zinc/87/48/47/794874847.db2.gz WJZRKDPLGZVKNN-BDJLRTHQSA-N 1 2 342.374 2.244 20 30 EEEDLO Cc1ncoc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC001079535468 794874852 /nfs/dbraw/zinc/87/48/52/794874852.db2.gz 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C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2nc(C)no2)C[C@H]1C ZINC001079851669 795321396 /nfs/dbraw/zinc/32/13/96/795321396.db2.gz GSKQWRYBKQBYLP-UMVBOHGHSA-N 1 2 343.431 2.177 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3conc3C3CC3)CC2)C1 ZINC001093571294 795382782 /nfs/dbraw/zinc/38/27/82/795382782.db2.gz PJNRNBYURHQWQW-UHFFFAOYSA-N 1 2 345.443 2.434 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccc(C4CC4)cn3)CC2)C1 ZINC001093595014 795393118 /nfs/dbraw/zinc/39/31/18/795393118.db2.gz GIPGOBBNRPVFIA-UHFFFAOYSA-N 1 2 341.455 2.450 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3ccc(OC)c(C)c3)CC2)C1 ZINC001093583850 795396031 /nfs/dbraw/zinc/39/60/31/795396031.db2.gz SFGLRLHYJNKLEY-UHFFFAOYSA-N 1 2 344.455 2.495 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC(N(CC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001079964409 795411240 /nfs/dbraw/zinc/41/12/40/795411240.db2.gz BSYQFQRHLBRHMP-UHFFFAOYSA-N 1 2 332.448 2.004 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC(N(CC)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001079964409 795411243 /nfs/dbraw/zinc/41/12/43/795411243.db2.gz BSYQFQRHLBRHMP-UHFFFAOYSA-N 1 2 332.448 2.004 20 30 EEEDLO COc1cccnc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032750521 795429913 /nfs/dbraw/zinc/42/99/13/795429913.db2.gz JHEGKAGNMASDBJ-IRXDYDNUSA-N 1 2 348.406 2.061 20 30 EEEDLO COc1cccnc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032750521 795429919 /nfs/dbraw/zinc/42/99/19/795429919.db2.gz JHEGKAGNMASDBJ-IRXDYDNUSA-N 1 2 348.406 2.061 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2scnc2C(F)(F)F)C1 ZINC001108002282 795452778 /nfs/dbraw/zinc/45/27/78/795452778.db2.gz XYDJMQKMRKBBIU-ZDUSSCGKSA-N 1 2 349.378 2.169 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2scnc2C(F)(F)F)C1 ZINC001108002282 795452781 /nfs/dbraw/zinc/45/27/81/795452781.db2.gz XYDJMQKMRKBBIU-ZDUSSCGKSA-N 1 2 349.378 2.169 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C/C=C\Cc2ccccc2)C1 ZINC001108005605 795474038 /nfs/dbraw/zinc/47/40/38/795474038.db2.gz WZMBGBSKIZENHA-HEDKFQSOSA-N 1 2 340.467 2.406 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C/C=C\Cc2ccccc2)C1 ZINC001108005605 795474042 /nfs/dbraw/zinc/47/40/42/795474042.db2.gz WZMBGBSKIZENHA-HEDKFQSOSA-N 1 2 340.467 2.406 20 30 EEEDLO C=C(C)CCC(=O)N1CC(N(CC)C(=O)CCCn2cc[nH+]c2)C1 ZINC001080027218 795504551 /nfs/dbraw/zinc/50/45/51/795504551.db2.gz XKEHZDGDUKLUAM-UHFFFAOYSA-N 1 2 332.448 2.079 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(CC)C1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001080311414 795870886 /nfs/dbraw/zinc/87/08/86/795870886.db2.gz CPQWPRFZEPBOIR-CABCVRRESA-N 1 2 346.475 2.250 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(CC)C1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001080311414 795870898 /nfs/dbraw/zinc/87/08/98/795870898.db2.gz CPQWPRFZEPBOIR-CABCVRRESA-N 1 2 346.475 2.250 20 30 EEEDLO C[C@@H](CCNc1ccc(C#N)nc1)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001106582554 795883136 /nfs/dbraw/zinc/88/31/36/795883136.db2.gz NCUZBJLAIQYAKP-SWLSCSKDSA-N 1 2 338.415 2.103 20 30 EEEDLO C[C@@H](CCNc1ccc(C#N)cn1)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001106583193 795884377 /nfs/dbraw/zinc/88/43/77/795884377.db2.gz VZZKTWQFHDVOOX-GXTWGEPZSA-N 1 2 338.415 2.103 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3ncc(C)s3)C[C@H]2C)c1 ZINC001080410233 795984483 /nfs/dbraw/zinc/98/44/83/795984483.db2.gz XMIYAYGDHPSPLL-MLGOLLRUSA-N 1 2 340.452 2.078 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3ncc(C)s3)C[C@H]2C)c1 ZINC001080410233 795984489 /nfs/dbraw/zinc/98/44/89/795984489.db2.gz XMIYAYGDHPSPLL-MLGOLLRUSA-N 1 2 340.452 2.078 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N(CC)C1CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001080465412 796036955 /nfs/dbraw/zinc/03/69/55/796036955.db2.gz COLDPQUFRUXJGQ-LJQANCHMSA-N 1 2 346.475 2.325 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)o2)C[C@H]1C ZINC001080588653 796221281 /nfs/dbraw/zinc/22/12/81/796221281.db2.gz RHBQFHOECUNKJQ-VUNQQRPYSA-N 1 2 347.459 2.291 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ncc(C)o2)C[C@H]1C ZINC001080588653 796221285 /nfs/dbraw/zinc/22/12/85/796221285.db2.gz RHBQFHOECUNKJQ-VUNQQRPYSA-N 1 2 347.459 2.291 20 30 EEEDLO C=C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnn(C)c1)c1ccccc1 ZINC001032797812 796276924 /nfs/dbraw/zinc/27/69/24/796276924.db2.gz ZNXKCERZNVOTSI-FHWLQOOXSA-N 1 2 336.439 2.175 20 30 EEEDLO C=C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnn(C)c1)c1ccccc1 ZINC001032797812 796276929 /nfs/dbraw/zinc/27/69/29/796276929.db2.gz ZNXKCERZNVOTSI-FHWLQOOXSA-N 1 2 336.439 2.175 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC(CN(CC)C(=O)Cn2cc[nH+]c2)CC1 ZINC001081104628 796646537 /nfs/dbraw/zinc/64/65/37/796646537.db2.gz LFCZVBWOSLLSJK-UHFFFAOYSA-N 1 2 346.475 2.182 20 30 EEEDLO C=CCCCC(=O)N1CCC(CN(CC)C(=O)Cn2cc[nH+]c2)CC1 ZINC001081116355 796657180 /nfs/dbraw/zinc/65/71/80/796657180.db2.gz HJDKYGMXXNOEJU-UHFFFAOYSA-N 1 2 346.475 2.327 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@@H]1Cc2cccc(F)c2C1 ZINC001171794373 796749610 /nfs/dbraw/zinc/74/96/10/796749610.db2.gz ADSARMAAVLRJDC-RDTXWAMCSA-N 1 2 342.418 2.223 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@@H]1Cc2cccc(F)c2C1 ZINC001171794373 796749614 /nfs/dbraw/zinc/74/96/14/796749614.db2.gz ADSARMAAVLRJDC-RDTXWAMCSA-N 1 2 342.418 2.223 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc(F)cn2)[C@H]1C ZINC000993506876 796758993 /nfs/dbraw/zinc/75/89/93/796758993.db2.gz PATFJIPKHVUQSG-DOMZBBRYSA-N 1 2 325.815 2.485 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(F)cn2)[C@H]1C ZINC000993506876 796758996 /nfs/dbraw/zinc/75/89/96/796758996.db2.gz PATFJIPKHVUQSG-DOMZBBRYSA-N 1 2 325.815 2.485 20 30 EEEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C(C)=C1CCC1 ZINC001081647938 796833087 /nfs/dbraw/zinc/83/30/87/796833087.db2.gz JXZAPDKXDGNSGA-WOJBJXKFSA-N 1 2 338.451 2.354 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C(C)=C1CCC1 ZINC001081647938 796833092 /nfs/dbraw/zinc/83/30/92/796833092.db2.gz JXZAPDKXDGNSGA-WOJBJXKFSA-N 1 2 338.451 2.354 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2c(C)nn(C)c2C)[C@@H]1C ZINC000993647766 796871163 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333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnn3cccnc23)[C@@H]1C ZINC000993657357 796916246 /nfs/dbraw/zinc/91/62/46/796916246.db2.gz DZKQQGGRUVMDAF-JSGCOSHPSA-N 1 2 333.823 2.065 20 30 EEEDLO COC(=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1[C@@H](C)CCCC#N ZINC001172508824 797013035 /nfs/dbraw/zinc/01/30/35/797013035.db2.gz HEWKOCJTVVEQBV-IHRRRGAJSA-N 1 2 339.436 2.209 20 30 EEEDLO COC(=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1[C@@H](C)CCCC#N ZINC001172508824 797013042 /nfs/dbraw/zinc/01/30/42/797013042.db2.gz HEWKOCJTVVEQBV-IHRRRGAJSA-N 1 2 339.436 2.209 20 30 EEEDLO C#CCCCC(=O)N1CCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001082039273 797110301 /nfs/dbraw/zinc/11/03/01/797110301.db2.gz PFZNTAKZFSZOTI-IRXDYDNUSA-N 1 2 344.459 2.135 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C1(C)CCC1 ZINC001082030350 797129949 /nfs/dbraw/zinc/12/99/49/797129949.db2.gz GZCQKSSVGMDGPL-IAGOWNOFSA-N 1 2 345.418 2.203 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C1(C)CCC1 ZINC001082030350 797129954 /nfs/dbraw/zinc/12/99/54/797129954.db2.gz GZCQKSSVGMDGPL-IAGOWNOFSA-N 1 2 345.418 2.203 20 30 EEEDLO C=C1CCC(C(=O)NCC2CC[NH+](Cc3nc(C)no3)CC2)CC1 ZINC001001793364 797201928 /nfs/dbraw/zinc/20/19/28/797201928.db2.gz QQMYQDVJAHPJDY-UHFFFAOYSA-N 1 2 332.448 2.453 20 30 EEEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)[C@@H]1C ZINC000994150194 797334565 /nfs/dbraw/zinc/33/45/65/797334565.db2.gz RULXDLCRKJXREC-XJKSGUPXSA-N 1 2 325.416 2.240 20 30 EEEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)[C@@H]1C ZINC000994150194 797334571 /nfs/dbraw/zinc/33/45/71/797334571.db2.gz RULXDLCRKJXREC-XJKSGUPXSA-N 1 2 325.416 2.240 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001082237282 797337511 /nfs/dbraw/zinc/33/75/11/797337511.db2.gz NXOUYFPNYLDOHS-WBVHZDCISA-N 1 2 346.475 2.442 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001082237282 797337519 /nfs/dbraw/zinc/33/75/19/797337519.db2.gz NXOUYFPNYLDOHS-WBVHZDCISA-N 1 2 346.475 2.442 20 30 EEEDLO Cc1cc(N(C)[C@@H]2CCN(C(=O)CSCC#N)C2)nc(C(C)C)[nH+]1 ZINC001095107015 797380634 /nfs/dbraw/zinc/38/06/34/797380634.db2.gz OORQANSHQRTUNX-CQSZACIVSA-N 1 2 347.488 2.202 20 30 EEEDLO C=C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)no2)C1)c1ccccc1 ZINC001082937344 797757109 /nfs/dbraw/zinc/75/71/09/797757109.db2.gz SMOGWMCIJZJIAN-XOKHGSTOSA-N 1 2 340.427 2.284 20 30 EEEDLO N#Cc1ccc(Nc2cnn(CC[NH+]3CCOCC3)c2)c(Cl)c1 ZINC001174491831 797769113 /nfs/dbraw/zinc/76/91/13/797769113.db2.gz WDVWQBWBZDHRNI-UHFFFAOYSA-N 1 2 331.807 2.484 20 30 EEEDLO CCCC(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC001082979977 797783468 /nfs/dbraw/zinc/78/34/68/797783468.db2.gz DSPMOJAPOUUHMQ-ZWKOTPCHSA-N 1 2 346.858 2.403 20 30 EEEDLO CCCC(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC001082979977 797783471 /nfs/dbraw/zinc/78/34/71/797783471.db2.gz DSPMOJAPOUUHMQ-ZWKOTPCHSA-N 1 2 346.858 2.403 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC(C)(C)c3ccc(F)cc3)[C@H]2C1 ZINC001083106496 797874715 /nfs/dbraw/zinc/87/47/15/797874715.db2.gz GNZVTSGZHAZMSG-ZWKOTPCHSA-N 1 2 344.430 2.038 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC(C)(C)c3ccc(F)cc3)[C@H]2C1 ZINC001083106496 797874725 /nfs/dbraw/zinc/87/47/25/797874725.db2.gz GNZVTSGZHAZMSG-ZWKOTPCHSA-N 1 2 344.430 2.038 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3coc4cc(F)ccc43)[C@H]2C1 ZINC001083126807 797879798 /nfs/dbraw/zinc/87/97/98/797879798.db2.gz LQINGGYBWJZPHR-FUHWJXTLSA-N 1 2 342.370 2.120 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3coc4cc(F)ccc43)[C@H]2C1 ZINC001083126807 797879807 /nfs/dbraw/zinc/87/98/07/797879807.db2.gz LQINGGYBWJZPHR-FUHWJXTLSA-N 1 2 342.370 2.120 20 30 EEEDLO CCCCCCC[N@@H+]1CCn2ncc(CNC(=O)COCC)c2C1 ZINC001128172776 797881628 /nfs/dbraw/zinc/88/16/28/797881628.db2.gz VDVUITVCRILCFW-UHFFFAOYSA-N 1 2 336.480 2.322 20 30 EEEDLO CCCCCCC[N@H+]1CCn2ncc(CNC(=O)COCC)c2C1 ZINC001128172776 797881631 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/nfs/dbraw/zinc/10/91/04/813109104.db2.gz VMOKWJCSVPXLHD-MAUKXSAKSA-N 1 2 347.484 2.138 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1c(C)[nH]cc1NC(C)=O ZINC001445764122 1091615215 /nfs/dbraw/zinc/61/52/15/1091615215.db2.gz MZGBVTWACAFPLE-SNVBAGLBSA-N 1 2 326.828 2.084 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1c(C)[nH]cc1NC(C)=O ZINC001445764122 1091615217 /nfs/dbraw/zinc/61/52/17/1091615217.db2.gz MZGBVTWACAFPLE-SNVBAGLBSA-N 1 2 326.828 2.084 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC1(O)C[NH+]([C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC001440037615 1093138004 /nfs/dbraw/zinc/13/80/04/1093138004.db2.gz IEECKPZTSSFVMD-GJZGRUSLSA-N 1 2 343.471 2.368 20 30 EEEDLO N#Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)C(F)C(F)(F)F)C2)c1 ZINC001480139803 1099706077 /nfs/dbraw/zinc/70/60/77/1099706077.db2.gz BDOTXVYZDNQKHS-JHJVBQTASA-N 1 2 329.297 2.195 20 30 EEEDLO N#Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](F)C(F)(F)F)C2)c1 ZINC001480139803 1099706082 /nfs/dbraw/zinc/70/60/82/1099706082.db2.gz BDOTXVYZDNQKHS-JHJVBQTASA-N 1 2 329.297 2.195 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc(OC)cn1 ZINC001480324034 1100069350 /nfs/dbraw/zinc/06/93/50/1100069350.db2.gz MIAGEMOTFZHNTC-OAHLLOKOSA-N 1 2 337.851 2.356 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc(OC)cn1 ZINC001480324034 1100069360 /nfs/dbraw/zinc/06/93/60/1100069360.db2.gz MIAGEMOTFZHNTC-OAHLLOKOSA-N 1 2 337.851 2.356 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c(C)n[nH]c1C ZINC001496840231 1101574322 /nfs/dbraw/zinc/57/43/22/1101574322.db2.gz WUZIVPULXDWPQJ-NSHDSACASA-N 1 2 326.872 2.348 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c(C)n[nH]c1C ZINC001496840231 1101574336 /nfs/dbraw/zinc/57/43/36/1101574336.db2.gz WUZIVPULXDWPQJ-NSHDSACASA-N 1 2 326.872 2.348 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)CC2(OC)CCC2)C1 ZINC001500211898 1112678477 /nfs/dbraw/zinc/67/84/77/1112678477.db2.gz DLGIXUSWHFHSAB-CQSZACIVSA-N 1 2 345.281 2.435 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)CC2(OC)CCC2)C1 ZINC001500211898 1112678480 /nfs/dbraw/zinc/67/84/80/1112678480.db2.gz DLGIXUSWHFHSAB-CQSZACIVSA-N 1 2 345.281 2.435 20 30 EEEDLO C=CCn1c([C@H]2C[N@H+](Cc3ccccc3)CCO2)nnc1N(C)OC ZINC001520337083 1119147203 /nfs/dbraw/zinc/14/72/03/1119147203.db2.gz LEEOIFAQVZFUPQ-MRXNPFEDSA-N 1 2 343.431 2.035 20 30 EEEDLO C=CCn1c([C@H]2C[N@@H+](Cc3ccccc3)CCO2)nnc1N(C)OC ZINC001520337083 1119147205 /nfs/dbraw/zinc/14/72/05/1119147205.db2.gz LEEOIFAQVZFUPQ-MRXNPFEDSA-N 1 2 343.431 2.035 20 30 EEEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1CCC[C@@H](C)C1 ZINC001524128992 1119987563 /nfs/dbraw/zinc/98/75/63/1119987563.db2.gz NXUTWGDJKFOFBO-MRXNPFEDSA-N 1 2 347.507 2.295 20 30 EEEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)C[C@@H](C)C#N ZINC001524369676 1120079548 /nfs/dbraw/zinc/07/95/48/1120079548.db2.gz YAMKRHQAWIZCNF-JKSUJKDBSA-N 1 2 346.479 2.232 20 30 EEEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)C[C@@H](C)C#N ZINC001524369676 1120079555 /nfs/dbraw/zinc/07/95/55/1120079555.db2.gz YAMKRHQAWIZCNF-JKSUJKDBSA-N 1 2 346.479 2.232 20 30 EEEDLO N#Cc1c(Cl)nsc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000044975871 213697360 /nfs/dbraw/zinc/69/73/60/213697360.db2.gz PVBFCRFWPKLUHV-CYBMUJFWSA-N 1 2 344.893 2.288 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000329538428 539776342 /nfs/dbraw/zinc/77/63/42/539776342.db2.gz CAISSYAXSMNCSV-FMKPAKJESA-N 1 2 330.432 2.145 20 30 EEEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1nc2c(s1)COCC2 ZINC000329552759 539777314 /nfs/dbraw/zinc/77/73/14/539777314.db2.gz JXYSBYHTXMHVET-UHFFFAOYSA-N 1 2 347.444 2.317 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NCC2CC(F)(F)C2)CCO1 ZINC000330233020 539790297 /nfs/dbraw/zinc/79/02/97/539790297.db2.gz XQIKYFCJRCSAPW-YPMHNXCESA-N 1 2 328.363 2.189 20 30 EEEDLO N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000253420994 283214950 /nfs/dbraw/zinc/21/49/50/283214950.db2.gz OEXMBJSCORZMLF-MRXNPFEDSA-N 1 2 349.438 2.440 20 30 EEEDLO Cn1cc(C[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1C#N ZINC000191302218 239027513 /nfs/dbraw/zinc/02/75/13/239027513.db2.gz VNLKMMKDEDBQEG-UHFFFAOYSA-N 1 2 347.422 2.336 20 30 EEEDLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nc(C)cc(C)c2C#N)CC1 ZINC000023005646 212342105 /nfs/dbraw/zinc/34/21/05/212342105.db2.gz LJPXSQZIYYIWSQ-CQSZACIVSA-N 1 2 332.473 2.215 20 30 EEEDLO CC(C)CN1CC[N@H+](CCC(=O)Nc2ccccc2C#N)[C@H](C)C1=O ZINC000426216454 241239912 /nfs/dbraw/zinc/23/99/12/241239912.db2.gz QORBONDPPXYHIE-OAHLLOKOSA-N 1 2 342.443 2.076 20 30 EEEDLO CC(C)CN1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@H](C)C1=O ZINC000426216454 241239915 /nfs/dbraw/zinc/23/99/15/241239915.db2.gz QORBONDPPXYHIE-OAHLLOKOSA-N 1 2 342.443 2.076 20 30 EEEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(CC#N)cc3Cl)C[C@@H]21 ZINC000455724648 244067266 /nfs/dbraw/zinc/06/72/66/244067266.db2.gz CIBBUUFXDOPYGO-HOTGVXAUSA-N 1 2 348.834 2.343 20 30 EEEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(CC#N)cc3Cl)C[C@@H]21 ZINC000455724648 244067272 /nfs/dbraw/zinc/06/72/72/244067272.db2.gz CIBBUUFXDOPYGO-HOTGVXAUSA-N 1 2 348.834 2.343 20 30 EEEDLO Cc1cc(N)nc(S[C@H]2CCN(c3ccc(C#N)cc3)C2=O)[nH+]1 ZINC000078359299 217044416 /nfs/dbraw/zinc/04/44/16/217044416.db2.gz GTVJSMYKHRAYCG-ZDUSSCGKSA-N 1 2 325.397 2.137 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCS3)n2CC(C)C)CC1 ZINC000491782253 533158688 /nfs/dbraw/zinc/15/86/88/533158688.db2.gz IBNVHCXSPCGKSE-HNNXBMFYSA-N 1 2 333.505 2.257 20 30 EEEDLO C#CCOc1ccccc1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000265199816 533194233 /nfs/dbraw/zinc/19/42/33/533194233.db2.gz TWXWQRJHFCSFDB-UHFFFAOYSA-N 1 2 338.411 2.442 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2Cc2ccc(F)c(C#N)c2)O1 ZINC000282396248 257937719 /nfs/dbraw/zinc/93/77/19/257937719.db2.gz HHTQXQPOUQVRNQ-FKSAFCJBSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2Cc2ccc(F)c(C#N)c2)O1 ZINC000282396248 257937720 /nfs/dbraw/zinc/93/77/20/257937720.db2.gz HHTQXQPOUQVRNQ-FKSAFCJBSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1C ZINC000346629574 143872689 /nfs/dbraw/zinc/87/26/89/143872689.db2.gz BFRMZIFMVSRWAW-GXFFZTMASA-N 1 2 335.791 2.034 20 30 EEEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1C ZINC000346629574 143872690 /nfs/dbraw/zinc/87/26/90/143872690.db2.gz BFRMZIFMVSRWAW-GXFFZTMASA-N 1 2 335.791 2.034 20 30 EEEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cn3cccnc3n2)CC1 ZINC000192865989 160175925 /nfs/dbraw/zinc/17/59/25/160175925.db2.gz IKZQAWJZUYNGMJ-UHFFFAOYSA-N 1 2 336.374 2.062 20 30 EEEDLO N#Cc1c(F)cccc1N1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000338059364 160701755 /nfs/dbraw/zinc/70/17/55/160701755.db2.gz DOYIHXOJZDFIRU-UHFFFAOYSA-N 1 2 331.313 2.398 20 30 EEEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1cccs1 ZINC000343962762 161184887 /nfs/dbraw/zinc/18/48/87/161184887.db2.gz CNIWCQYSXLWETI-UHFFFAOYSA-N 1 2 335.454 2.311 20 30 EEEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1cccs1 ZINC000343962762 161184888 /nfs/dbraw/zinc/18/48/88/161184888.db2.gz CNIWCQYSXLWETI-UHFFFAOYSA-N 1 2 335.454 2.311 20 30 EEEDLO C[C@H](C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000360309552 164281460 /nfs/dbraw/zinc/28/14/60/164281460.db2.gz ICPSFMBWEZVUBY-LPHOPBHVSA-N 1 2 341.455 2.375 20 30 EEEDLO Cc1noc(C2(C)CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC000364695384 165238803 /nfs/dbraw/zinc/23/88/03/165238803.db2.gz JEPPTDGOWBWKDF-UHFFFAOYSA-N 1 2 339.399 2.242 20 30 EEEDLO N#Cc1ncc(C(F)(F)F)cc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000413142165 270019534 /nfs/dbraw/zinc/01/95/34/270019534.db2.gz QJHAIQYNVGIADS-UHFFFAOYSA-N 1 2 336.321 2.017 20 30 EEEDLO CCN(CC)C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439438147 267056057 /nfs/dbraw/zinc/05/60/57/267056057.db2.gz JRHIUOUPZUYORT-UHFFFAOYSA-N 1 2 348.878 2.198 20 30 EEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000286998729 267078773 /nfs/dbraw/zinc/07/87/73/267078773.db2.gz MRRAPWGWYDHQEC-IUODEOHRSA-N 1 2 332.379 2.024 20 30 EEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000289731222 267080317 /nfs/dbraw/zinc/08/03/17/267080317.db2.gz KBJKFCAXPJRUID-IUODEOHRSA-N 1 2 332.379 2.024 20 30 EEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CCO)Cc1cccnc1 ZINC000304920386 268099756 /nfs/dbraw/zinc/09/97/56/268099756.db2.gz VTYBQIOSNNIDKM-UHFFFAOYSA-N 1 2 344.802 2.040 20 30 EEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](CCO)Cc1cccnc1 ZINC000304920386 268099760 /nfs/dbraw/zinc/09/97/60/268099760.db2.gz VTYBQIOSNNIDKM-UHFFFAOYSA-N 1 2 344.802 2.040 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1 ZINC000292200210 268188635 /nfs/dbraw/zinc/18/86/35/268188635.db2.gz SEBDMQQZPNPSKE-QGZVFWFLSA-N 1 2 348.468 2.080 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCOC[C@H](C3CCC3)C2)cc1 ZINC000292200210 268188637 /nfs/dbraw/zinc/18/86/37/268188637.db2.gz SEBDMQQZPNPSKE-QGZVFWFLSA-N 1 2 348.468 2.080 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(F)n3)CC2)cc1 ZINC000274364509 269027893 /nfs/dbraw/zinc/02/78/93/269027893.db2.gz QFIQUBLIZKSGPL-UHFFFAOYSA-N 1 2 339.374 2.442 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000275248289 269104571 /nfs/dbraw/zinc/10/45/71/269104571.db2.gz GBVIGJIYVFUNSL-HOCLYGCPSA-N 1 2 325.372 2.334 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280650355 269381294 /nfs/dbraw/zinc/38/12/94/269381294.db2.gz ZBTDUEOUUYMQEC-AUUYWEPGSA-N 1 2 343.427 2.155 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280650355 269381296 /nfs/dbraw/zinc/38/12/96/269381296.db2.gz ZBTDUEOUUYMQEC-AUUYWEPGSA-N 1 2 343.427 2.155 20 30 EEEDLO CCOC(=O)[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)[C@H](C)CC ZINC000299147032 269665829 /nfs/dbraw/zinc/66/58/29/269665829.db2.gz WQVATDINTMRCNQ-CXAGYDPISA-N 1 2 331.416 2.454 20 30 EEEDLO CN(C(=O)c1ccc(C#N)c(Cl)c1)C(C)(C)C[NH+]1CCOCC1 ZINC000562734332 318923518 /nfs/dbraw/zinc/92/35/18/318923518.db2.gz YDQCPPBPIRZGIP-UHFFFAOYSA-N 1 2 335.835 2.394 20 30 EEEDLO Cc1ccc(-n2c[nH+]c3c2CCN(Cc2ncc(C#N)cn2)C3)cc1 ZINC000563616913 319030522 /nfs/dbraw/zinc/03/05/22/319030522.db2.gz KAKMJCHABZRGQW-UHFFFAOYSA-N 1 2 330.395 2.401 20 30 EEEDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000566245544 319264395 /nfs/dbraw/zinc/26/43/95/319264395.db2.gz NJYVZECTCLTKDP-SFHVURJKSA-N 1 2 333.395 2.483 20 30 EEEDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CCO1 ZINC000566245544 319264397 /nfs/dbraw/zinc/26/43/97/319264397.db2.gz NJYVZECTCLTKDP-SFHVURJKSA-N 1 2 333.395 2.483 20 30 EEEDLO COC(=O)c1ccc(N2CC[NH+](Cc3ccsc3)CC2)c(C#N)n1 ZINC000571939871 319800822 /nfs/dbraw/zinc/80/08/22/319800822.db2.gz RTLAPUIGPRYQID-UHFFFAOYSA-N 1 2 342.424 2.124 20 30 EEEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2)c1 ZINC000575863001 320120588 /nfs/dbraw/zinc/12/05/88/320120588.db2.gz PZRVXLDHQLSZNO-IBGZPJMESA-N 1 2 348.406 2.060 20 30 EEEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCNC(=O)[C@@H]2c2ccccc2)c1 ZINC000575863001 320120589 /nfs/dbraw/zinc/12/05/89/320120589.db2.gz PZRVXLDHQLSZNO-IBGZPJMESA-N 1 2 348.406 2.060 20 30 EEEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000026208038 323318384 /nfs/dbraw/zinc/31/83/84/323318384.db2.gz RGPKFSFZDARSQM-UHFFFAOYSA-N 1 2 337.379 2.415 20 30 EEEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000026208038 323318389 /nfs/dbraw/zinc/31/83/89/323318389.db2.gz RGPKFSFZDARSQM-UHFFFAOYSA-N 1 2 337.379 2.415 20 30 EEEDLO COC[C@@](C)(C#N)NC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354778555 465148853 /nfs/dbraw/zinc/14/88/53/465148853.db2.gz WUQRKFQAAXZFAU-GOSISDBHSA-N 1 2 326.400 2.349 20 30 EEEDLO CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3COCCN3C)n2)CC1 ZINC000328895006 465160780 /nfs/dbraw/zinc/16/07/80/465160780.db2.gz BDBVWMGSOYZWMN-AWEZNQCLSA-N 1 2 338.477 2.294 20 30 EEEDLO Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000328941509 465177002 /nfs/dbraw/zinc/17/70/02/465177002.db2.gz ICGOOGQJHKAXNJ-GDBMZVCRSA-N 1 2 343.431 2.230 20 30 EEEDLO C=CCN(CCOC)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000358549639 465187436 /nfs/dbraw/zinc/18/74/36/465187436.db2.gz ZGGYLPXAXUBGNP-UHFFFAOYSA-N 1 2 332.448 2.416 20 30 EEEDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)N[C@@H](c3ccccc3)C3CC3)CC[C@@H]21 ZINC000328976551 465189821 /nfs/dbraw/zinc/18/98/21/465189821.db2.gz QENNQSNKKPHMPK-RYRKJORJSA-N 1 2 342.443 2.397 20 30 EEEDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)N[C@@H](c3ccccc3)C3CC3)CC[C@@H]21 ZINC000328976551 465189825 /nfs/dbraw/zinc/18/98/25/465189825.db2.gz QENNQSNKKPHMPK-RYRKJORJSA-N 1 2 342.443 2.397 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000351505637 465191498 /nfs/dbraw/zinc/19/14/98/465191498.db2.gz OWEDHOIGYAPBHR-NEPJUHHUSA-N 1 2 348.472 2.231 20 30 EEEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000351505637 465191504 /nfs/dbraw/zinc/19/15/04/465191504.db2.gz OWEDHOIGYAPBHR-NEPJUHHUSA-N 1 2 348.472 2.231 20 30 EEEDLO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329044686 465214850 /nfs/dbraw/zinc/21/48/50/465214850.db2.gz PKILGFMBGYTPEK-CMPLNLGQSA-N 1 2 328.376 2.203 20 30 EEEDLO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329044686 465214854 /nfs/dbraw/zinc/21/48/54/465214854.db2.gz PKILGFMBGYTPEK-CMPLNLGQSA-N 1 2 328.376 2.203 20 30 EEEDLO COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000329065757 465221835 /nfs/dbraw/zinc/22/18/35/465221835.db2.gz LAUWZSMDBSBVDD-HNAYVOBHSA-N 1 2 348.443 2.422 20 30 EEEDLO COc1cccc(CNC(=O)[C@H](C)[N@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000329065757 465221841 /nfs/dbraw/zinc/22/18/41/465221841.db2.gz LAUWZSMDBSBVDD-HNAYVOBHSA-N 1 2 348.443 2.422 20 30 EEEDLO COCC1(C#N)CCN(C(=O)NCc2cn3c(cccc3C)[nH+]2)CC1 ZINC000341548750 465227409 /nfs/dbraw/zinc/22/74/09/465227409.db2.gz LFWKHQNBJHNAAK-UHFFFAOYSA-N 1 2 341.415 2.105 20 30 EEEDLO C=C(CC)C[NH+]1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000358624816 465228981 /nfs/dbraw/zinc/22/89/81/465228981.db2.gz IEQQFQQSUASPKO-UHFFFAOYSA-N 1 2 330.400 2.237 20 30 EEEDLO CCOc1cccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)n1 ZINC000355193067 465231199 /nfs/dbraw/zinc/23/11/99/465231199.db2.gz DIDHOPSEHNOHAC-VLIAUNLRSA-N 1 2 348.406 2.326 20 30 EEEDLO CCOc1cccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)n1 ZINC000355193067 465231207 /nfs/dbraw/zinc/23/12/07/465231207.db2.gz DIDHOPSEHNOHAC-VLIAUNLRSA-N 1 2 348.406 2.326 20 30 EEEDLO CC(C)(C)Oc1cccc(CN(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000351684724 465291682 /nfs/dbraw/zinc/29/16/82/465291682.db2.gz KEPHXPZHFCXOOJ-UHFFFAOYSA-N 1 2 346.475 2.307 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(C(F)F)c2Cl)CC1 ZINC000490937512 468272145 /nfs/dbraw/zinc/27/21/45/468272145.db2.gz UWMKDIUCCVMHSY-UHFFFAOYSA-N 1 2 341.789 2.467 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000351817189 465378506 /nfs/dbraw/zinc/37/85/06/465378506.db2.gz VMDNGNWBCQEOMJ-VNHYZAJKSA-N 1 2 333.457 2.189 20 30 EEEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000351817189 465378511 /nfs/dbraw/zinc/37/85/11/465378511.db2.gz VMDNGNWBCQEOMJ-VNHYZAJKSA-N 1 2 333.457 2.189 20 30 EEEDLO N#Cc1cccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000047031937 462737366 /nfs/dbraw/zinc/73/73/66/462737366.db2.gz AIXPNWFRFOIUHT-MRXNPFEDSA-N 1 2 345.424 2.267 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1noc(C2CCCCC2)n1 ZINC000154252652 462746271 /nfs/dbraw/zinc/74/62/71/462746271.db2.gz UKZZDVMFDVCWAA-UHFFFAOYSA-N 1 2 347.463 2.165 20 30 EEEDLO COC(=O)[C@H](C)C[N@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091066653 462828641 /nfs/dbraw/zinc/82/86/41/462828641.db2.gz PVYRYVARHSTTIL-CYBMUJFWSA-N 1 2 326.400 2.293 20 30 EEEDLO COC(=O)[C@H](C)C[N@@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091066653 462828644 /nfs/dbraw/zinc/82/86/44/462828644.db2.gz PVYRYVARHSTTIL-CYBMUJFWSA-N 1 2 326.400 2.293 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCc2n[nH]cc2C1 ZINC000091079251 462831352 /nfs/dbraw/zinc/83/13/52/462831352.db2.gz QIKCIICATYPSBE-CYBMUJFWSA-N 1 2 341.390 2.242 20 30 EEEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCc2n[nH]cc2C1 ZINC000091079251 462831357 /nfs/dbraw/zinc/83/13/57/462831357.db2.gz QIKCIICATYPSBE-CYBMUJFWSA-N 1 2 341.390 2.242 20 30 EEEDLO COCCCOCC[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000091101966 462836300 /nfs/dbraw/zinc/83/63/00/462836300.db2.gz XGKWFNUWRWDDIJ-UHFFFAOYSA-N 1 2 339.461 2.160 20 30 EEEDLO COCCCOCC[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000091101966 462836304 /nfs/dbraw/zinc/83/63/04/462836304.db2.gz XGKWFNUWRWDDIJ-UHFFFAOYSA-N 1 2 339.461 2.160 20 30 EEEDLO CCCCCNC(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000048041578 462851866 /nfs/dbraw/zinc/85/18/66/462851866.db2.gz ZCZVIPOGWBPHDG-UHFFFAOYSA-N 1 2 332.423 2.126 20 30 EEEDLO CCNC(=O)C[N@H+](CC)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000015307270 462946760 /nfs/dbraw/zinc/94/67/60/462946760.db2.gz ZPJKHCSMETUYHS-UHFFFAOYSA-N 1 2 344.459 2.008 20 30 EEEDLO CCNC(=O)C[N@@H+](CC)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000015307270 462946764 /nfs/dbraw/zinc/94/67/64/462946764.db2.gz ZPJKHCSMETUYHS-UHFFFAOYSA-N 1 2 344.459 2.008 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000067461081 463007191 /nfs/dbraw/zinc/00/71/91/463007191.db2.gz SXKLUTDZPZXNSW-WMZOPIPTSA-N 1 2 333.432 2.315 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000067461081 463007194 /nfs/dbraw/zinc/00/71/94/463007194.db2.gz SXKLUTDZPZXNSW-WMZOPIPTSA-N 1 2 333.432 2.315 20 30 EEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000120959078 463058762 /nfs/dbraw/zinc/05/87/62/463058762.db2.gz PVXKUJCIFPDMIS-QGZVFWFLSA-N 1 2 339.395 2.441 20 30 EEEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000120959078 463058768 /nfs/dbraw/zinc/05/87/68/463058768.db2.gz PVXKUJCIFPDMIS-QGZVFWFLSA-N 1 2 339.395 2.441 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1c1nncn1C ZINC000157073127 463095380 /nfs/dbraw/zinc/09/53/80/463095380.db2.gz LXJSQPDCVGURNQ-IRXDYDNUSA-N 1 2 342.443 2.120 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1nncn1C ZINC000157073127 463095384 /nfs/dbraw/zinc/09/53/84/463095384.db2.gz LXJSQPDCVGURNQ-IRXDYDNUSA-N 1 2 342.443 2.120 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1c1nncn1C ZINC000157073260 463095558 /nfs/dbraw/zinc/09/55/58/463095558.db2.gz LXJSQPDCVGURNQ-DLBZAZTESA-N 1 2 342.443 2.120 20 30 EEEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000157073260 463095560 /nfs/dbraw/zinc/09/55/60/463095560.db2.gz LXJSQPDCVGURNQ-DLBZAZTESA-N 1 2 342.443 2.120 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000135056659 463113222 /nfs/dbraw/zinc/11/32/22/463113222.db2.gz SFRGXYYAFYVKDS-XLIONFOSSA-N 1 2 346.471 2.173 20 30 EEEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000135214822 463130103 /nfs/dbraw/zinc/13/01/03/463130103.db2.gz IYGDMUOEJDURFK-OAHLLOKOSA-N 1 2 340.876 2.094 20 30 EEEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000135214822 463130110 /nfs/dbraw/zinc/13/01/10/463130110.db2.gz IYGDMUOEJDURFK-OAHLLOKOSA-N 1 2 340.876 2.094 20 30 EEEDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000096000329 463135916 /nfs/dbraw/zinc/13/59/16/463135916.db2.gz WRILEOMIHCTVCY-UHFFFAOYSA-N 1 2 336.392 2.028 20 30 EEEDLO C[NH+]1CCC(C#N)(NC(=O)CCC(=O)c2ccc(Cl)cc2)CC1 ZINC000068432828 463136029 /nfs/dbraw/zinc/13/60/29/463136029.db2.gz APHCDYYTTDSSNS-UHFFFAOYSA-N 1 2 333.819 2.407 20 30 EEEDLO CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000121571390 463160153 /nfs/dbraw/zinc/16/01/53/463160153.db2.gz WBXIEPZUVNOFBH-FUHWJXTLSA-N 1 2 328.460 2.124 20 30 EEEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000079298333 463203839 /nfs/dbraw/zinc/20/38/39/463203839.db2.gz JRHZPDIVLKRGSX-GFCCVEGCSA-N 1 2 325.334 2.401 20 30 EEEDLO C=CCN(CC=C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000079419978 463213595 /nfs/dbraw/zinc/21/35/95/463213595.db2.gz LABLJCOQGVPAHP-GOSISDBHSA-N 1 2 329.444 2.444 20 30 EEEDLO N#Cc1cc([N+](=O)[O-])ccc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000029625758 463265860 /nfs/dbraw/zinc/26/58/60/463265860.db2.gz HJAZMLKLCXFNPG-MRXNPFEDSA-N 1 2 348.428 2.086 20 30 EEEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccco1 ZINC000139173339 463318526 /nfs/dbraw/zinc/31/85/26/463318526.db2.gz ONNWUKNZZDMNAC-UHFFFAOYSA-N 1 2 335.367 2.407 20 30 EEEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccco1 ZINC000139173339 463318532 /nfs/dbraw/zinc/31/85/32/463318532.db2.gz ONNWUKNZZDMNAC-UHFFFAOYSA-N 1 2 335.367 2.407 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161178673 463408418 /nfs/dbraw/zinc/40/84/18/463408418.db2.gz AXZIIMJLVUYSIU-INIZCTEOSA-N 1 2 349.438 2.098 20 30 EEEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000105311459 463450296 /nfs/dbraw/zinc/45/02/96/463450296.db2.gz OTZOXCMWKGOTOZ-MRXNPFEDSA-N 1 2 349.438 2.098 20 30 EEEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000081515021 463452874 /nfs/dbraw/zinc/45/28/74/463452874.db2.gz IFSXDDVJRGSPSA-OAHLLOKOSA-N 1 2 332.423 2.098 20 30 EEEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000081515021 463452875 /nfs/dbraw/zinc/45/28/75/463452875.db2.gz IFSXDDVJRGSPSA-OAHLLOKOSA-N 1 2 332.423 2.098 20 30 EEEDLO N#Cc1cnc(NC[C@]2([NH+]3CCOCC3)CCSC2)c(Cl)c1 ZINC000058307378 463574971 /nfs/dbraw/zinc/57/49/71/463574971.db2.gz ROCHKKBNFISCBD-OAHLLOKOSA-N 1 2 338.864 2.226 20 30 EEEDLO N#CCCN(Cc1cccnc1)C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000127023148 463677595 /nfs/dbraw/zinc/67/75/95/463677595.db2.gz IATWJYMQLUIJHR-UHFFFAOYSA-N 1 2 340.452 2.444 20 30 EEEDLO N#CCCN(Cc1cccnc1)C(=O)C[N@H+]1CCc2sccc2C1 ZINC000127023148 463677596 /nfs/dbraw/zinc/67/75/96/463677596.db2.gz IATWJYMQLUIJHR-UHFFFAOYSA-N 1 2 340.452 2.444 20 30 EEEDLO CCCOc1ccc(/C=[NH+]/C[C@H]2CCCS(=O)(=O)C2)c(O)c1 ZINC000286960870 463755658 /nfs/dbraw/zinc/75/56/58/463755658.db2.gz BIQXZUBPNKWXHW-VVBXCHJUSA-N 1 2 325.430 2.425 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1c(C)nc2sccn21 ZINC000268502748 463770275 /nfs/dbraw/zinc/77/02/75/463770275.db2.gz SVEVDJFQMNSBLX-GFCCVEGCSA-N 1 2 333.461 2.144 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1c(C)nc2sccn21 ZINC000268502748 463770277 /nfs/dbraw/zinc/77/02/77/463770277.db2.gz SVEVDJFQMNSBLX-GFCCVEGCSA-N 1 2 333.461 2.144 20 30 EEEDLO CC#CCCCC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000185275685 463792846 /nfs/dbraw/zinc/79/28/46/463792846.db2.gz IXYKHZRRGGNQCL-UHFFFAOYSA-N 1 2 344.455 2.207 20 30 EEEDLO CCCCC[C@@H](C)NC(=O)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000178144974 463851848 /nfs/dbraw/zinc/85/18/48/463851848.db2.gz NWDCUEJVHXNTFV-LLVKDONJSA-N 1 2 326.466 2.368 20 30 EEEDLO CC(C)(CNC(=O)Nc1ccc(C#N)cc1Cl)[NH+]1CCOCC1 ZINC000269163694 463894469 /nfs/dbraw/zinc/89/44/69/463894469.db2.gz VGBUJDPIOVAGNU-UHFFFAOYSA-N 1 2 336.823 2.444 20 30 EEEDLO CC1(C)CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H]1C#N ZINC000278078532 463955108 /nfs/dbraw/zinc/95/51/08/463955108.db2.gz XPHCBDQQLICESL-QZTJIDSGSA-N 1 2 341.455 2.428 20 30 EEEDLO CC1(C)CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H]1C#N ZINC000278078532 463955114 /nfs/dbraw/zinc/95/51/14/463955114.db2.gz XPHCBDQQLICESL-QZTJIDSGSA-N 1 2 341.455 2.428 20 30 EEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278362179 463963286 /nfs/dbraw/zinc/96/32/86/463963286.db2.gz RPHCSHGNJNIQST-SFHVURJKSA-N 1 2 348.422 2.118 20 30 EEEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000186294477 463970414 /nfs/dbraw/zinc/97/04/14/463970414.db2.gz GFTDJRHFZUDDJH-QGZVFWFLSA-N 1 2 340.471 2.249 20 30 EEEDLO C[C@H](c1cccc(C#N)c1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000186294477 463970419 /nfs/dbraw/zinc/97/04/19/463970419.db2.gz GFTDJRHFZUDDJH-QGZVFWFLSA-N 1 2 340.471 2.249 20 30 EEEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000195044550 463981701 /nfs/dbraw/zinc/98/17/01/463981701.db2.gz BFSCOVYSNZIYEU-UHFFFAOYSA-N 1 2 325.368 2.244 20 30 EEEDLO N#C[C@@]1(NC(=O)c2ccnc(-n3cc[nH+]c3)c2)CCc2ccccc2C1 ZINC000186893002 464078399 /nfs/dbraw/zinc/07/83/99/464078399.db2.gz ZPPUPZXFSZMHGD-HXUWFJFHSA-N 1 2 343.390 2.448 20 30 EEEDLO Cc1ccc(CCC(=O)N(CCC#N)CC[NH+]2CCOCC2)s1 ZINC000289923929 464101836 /nfs/dbraw/zinc/10/18/36/464101836.db2.gz BHVNEGOQZDWNQP-UHFFFAOYSA-N 1 2 335.473 2.064 20 30 EEEDLO C=C1CC[NH+](CC(=O)N(C)CC(=O)Nc2ccccc2SC)CC1 ZINC000269944790 464135156 /nfs/dbraw/zinc/13/51/56/464135156.db2.gz DRFGATGUCVQBDJ-UHFFFAOYSA-N 1 2 347.484 2.457 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N(C)Cc2ccccc2)n1 ZINC000279759892 464144308 /nfs/dbraw/zinc/14/43/08/464144308.db2.gz RGGVDGQCUUAGFM-QGZVFWFLSA-N 1 2 338.455 2.385 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N(C)Cc2ccccc2)n1 ZINC000279759892 464144315 /nfs/dbraw/zinc/14/43/15/464144315.db2.gz RGGVDGQCUUAGFM-QGZVFWFLSA-N 1 2 338.455 2.385 20 30 EEEDLO C=CCOc1ccccc1C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000173651606 464302471 /nfs/dbraw/zinc/30/24/71/464302471.db2.gz RUMCAKGBUJQINH-UHFFFAOYSA-N 1 2 332.444 2.434 20 30 EEEDLO C=CCN1CC[C@@H]([NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)C1=O ZINC000281193134 464365589 /nfs/dbraw/zinc/36/55/89/464365589.db2.gz MTEQVUXUVHLCSV-BXUZGUMPSA-N 1 2 330.363 2.313 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(C)c(F)c2)C1=O ZINC000281285197 464400179 /nfs/dbraw/zinc/40/01/79/464400179.db2.gz IYWZWAFBVYUAKZ-CJNGLKHVSA-N 1 2 333.407 2.180 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(C)c(F)c2)C1=O ZINC000281285197 464400185 /nfs/dbraw/zinc/40/01/85/464400185.db2.gz IYWZWAFBVYUAKZ-CJNGLKHVSA-N 1 2 333.407 2.180 20 30 EEEDLO N#CCOc1ccc(CC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000264703227 464429496 /nfs/dbraw/zinc/42/94/96/464429496.db2.gz FJEABRHITMRYKX-UHFFFAOYSA-N 1 2 339.395 2.069 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCCN(c3cccc(F)c3)C2=O)C1=O ZINC000281412199 464445093 /nfs/dbraw/zinc/44/50/93/464445093.db2.gz REDYTKYCZRNXCO-SJORKVTESA-N 1 2 345.418 2.040 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(c3cccc(F)c3)C2=O)C1=O ZINC000281412199 464445097 /nfs/dbraw/zinc/44/50/97/464445097.db2.gz REDYTKYCZRNXCO-SJORKVTESA-N 1 2 345.418 2.040 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NCc2ccccc2Cl)C1=O ZINC000281509891 464484431 /nfs/dbraw/zinc/48/44/31/464484431.db2.gz YSCKMIIXJYUKAL-XJKSGUPXSA-N 1 2 349.862 2.063 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NCc2ccccc2Cl)C1=O ZINC000281509891 464484437 /nfs/dbraw/zinc/48/44/37/464484437.db2.gz YSCKMIIXJYUKAL-XJKSGUPXSA-N 1 2 349.862 2.063 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCCOc2ccc([N+](=O)[O-])cc2)cs1 ZINC000181593419 464510662 /nfs/dbraw/zinc/51/06/62/464510662.db2.gz POGHFGHWJSZDMP-UHFFFAOYSA-N 1 2 336.373 2.270 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1F ZINC000265503280 464584190 /nfs/dbraw/zinc/58/41/90/464584190.db2.gz ISEWFAJGZJTFCD-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000281900252 464627511 /nfs/dbraw/zinc/62/75/11/464627511.db2.gz XCXWFWAROUZLMA-RDJZCZTQSA-N 1 2 333.432 2.088 20 30 EEEDLO C[C@@H](c1nnc(SC[C@H](O)CC#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000294995560 464674212 /nfs/dbraw/zinc/67/42/12/464674212.db2.gz QVXLRVQAKQFOCR-SMDDNHRTSA-N 1 2 349.435 2.396 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)[nH]1 ZINC000272788277 464688940 /nfs/dbraw/zinc/68/89/40/464688940.db2.gz XKNTYHWNYJVBLU-SFHVURJKSA-N 1 2 338.411 2.184 20 30 EEEDLO C#CC[N@@H+](CC(=O)N(CCC)CC(=O)Nc1ccccc1C)C1CC1 ZINC000274127126 464735433 /nfs/dbraw/zinc/73/54/33/464735433.db2.gz HTRQGZUAESBYDU-UHFFFAOYSA-N 1 2 341.455 2.270 20 30 EEEDLO C#CC[N@H+](CC(=O)N(CCC)CC(=O)Nc1ccccc1C)C1CC1 ZINC000274127126 464735438 /nfs/dbraw/zinc/73/54/38/464735438.db2.gz HTRQGZUAESBYDU-UHFFFAOYSA-N 1 2 341.455 2.270 20 30 EEEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)cc1OC ZINC000274130002 464736087 /nfs/dbraw/zinc/73/60/87/464736087.db2.gz OXOYYKXCRWQZBH-OAHLLOKOSA-N 1 2 339.457 2.269 20 30 EEEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)cc1OC ZINC000274130002 464736092 /nfs/dbraw/zinc/73/60/92/464736092.db2.gz OXOYYKXCRWQZBH-OAHLLOKOSA-N 1 2 339.457 2.269 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000597020879 468418502 /nfs/dbraw/zinc/41/85/02/468418502.db2.gz KGPWCNPNTYLTEZ-IAGOWNOFSA-N 1 2 333.476 2.277 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nncn1C ZINC000275032424 464762141 /nfs/dbraw/zinc/76/21/41/464762141.db2.gz AQAPRAMXWKNWBV-QWHCGFSZSA-N 1 2 333.461 2.131 20 30 EEEDLO N#CC1(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CCOCC1 ZINC000295637065 464912998 /nfs/dbraw/zinc/91/29/98/464912998.db2.gz SSZWQHORSXRVSA-UHFFFAOYSA-N 1 2 344.802 2.462 20 30 EEEDLO CCOCc1ccccc1CNC(=O)C[N@H+](CCC#N)CC1CC1 ZINC000267106524 464917074 /nfs/dbraw/zinc/91/70/74/464917074.db2.gz WBKVUPKLOBDPFK-UHFFFAOYSA-N 1 2 329.444 2.465 20 30 EEEDLO CCOCc1ccccc1CNC(=O)C[N@@H+](CCC#N)CC1CC1 ZINC000267106524 464917081 /nfs/dbraw/zinc/91/70/81/464917081.db2.gz WBKVUPKLOBDPFK-UHFFFAOYSA-N 1 2 329.444 2.465 20 30 EEEDLO C#CCOc1cccc(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000276506515 464959630 /nfs/dbraw/zinc/95/96/30/464959630.db2.gz AJPYABODLNGMGT-SFHVURJKSA-N 1 2 328.412 2.281 20 30 EEEDLO C#CCOc1cccc(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000276506515 464959636 /nfs/dbraw/zinc/95/96/36/464959636.db2.gz AJPYABODLNGMGT-SFHVURJKSA-N 1 2 328.412 2.281 20 30 EEEDLO CC[C@@H](NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1[nH]cc[nH+]1 ZINC000347974865 465347387 /nfs/dbraw/zinc/34/73/87/465347387.db2.gz VNNYSAAAOPYBIV-CQSZACIVSA-N 1 2 327.388 2.199 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)C(C)(C)CO ZINC000298259057 465348782 /nfs/dbraw/zinc/34/87/82/465348782.db2.gz FISSLFIHXUECBW-CQSZACIVSA-N 1 2 345.378 2.312 20 30 EEEDLO COCC1(C#N)CC[NH+](Cc2c(Br)c(C)nn2C)CC1 ZINC000342820703 465356668 /nfs/dbraw/zinc/35/66/68/465356668.db2.gz KNYKCBBYOHPXCF-UHFFFAOYSA-N 1 2 341.253 2.243 20 30 EEEDLO C[C@H](C#N)CN(C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000339579259 465362111 /nfs/dbraw/zinc/36/21/11/465362111.db2.gz BERQEMWTILJHGH-IUODEOHRSA-N 1 2 329.379 2.450 20 30 EEEDLO N#CC1(CCCS(=O)(=O)Cc2cn3ccccc3[nH+]2)CCOCC1 ZINC000359118257 465379516 /nfs/dbraw/zinc/37/95/16/465379516.db2.gz UXMXVPIXAFYXKF-UHFFFAOYSA-N 1 2 347.440 2.350 20 30 EEEDLO CCO[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)[C@@]12CCCO2 ZINC000329606315 465383955 /nfs/dbraw/zinc/38/39/55/465383955.db2.gz ZSWKRZNVTRQIPL-AFIMGQEJSA-N 1 2 348.447 2.230 20 30 EEEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC(=O)c1ccc(C#N)cc1 ZINC000348071253 465405833 /nfs/dbraw/zinc/40/58/33/465405833.db2.gz JNAQKNUVEYSUKM-RHSMWYFYSA-N 1 2 348.406 2.025 20 30 EEEDLO C[C@H](C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1)[NH+]1CCSCC1 ZINC000329708110 465412123 /nfs/dbraw/zinc/41/21/23/465412123.db2.gz KYKPXTQVZOGGHJ-CXTNEJHOSA-N 1 2 341.477 2.047 20 30 EEEDLO Cn1c2c(cccc2F)[nH+]c1N1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000329733953 465419172 /nfs/dbraw/zinc/41/91/72/465419172.db2.gz RCAHUDRTHMSNFR-INIZCTEOSA-N 1 2 346.406 2.409 20 30 EEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4nc(C5CC5)oc4c3)C[C@H]21 ZINC000329926645 465476708 /nfs/dbraw/zinc/47/67/08/465476708.db2.gz KWKTYKSVGQKPBF-ZBFHGGJFSA-N 1 2 342.399 2.266 20 30 EEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4nc(C5CC5)oc4c3)C[C@H]21 ZINC000329926645 465476713 /nfs/dbraw/zinc/47/67/13/465476713.db2.gz KWKTYKSVGQKPBF-ZBFHGGJFSA-N 1 2 342.399 2.266 20 30 EEEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(-c4nccs4)c3)C[C@H]21 ZINC000329929715 465477633 /nfs/dbraw/zinc/47/76/33/465477633.db2.gz NSMKEBWJMNRFCU-CABCVRRESA-N 1 2 344.440 2.370 20 30 EEEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(-c4nccs4)c3)C[C@H]21 ZINC000329929715 465477637 /nfs/dbraw/zinc/47/76/37/465477637.db2.gz NSMKEBWJMNRFCU-CABCVRRESA-N 1 2 344.440 2.370 20 30 EEEDLO C[NH+](C)[C@@H](C(=O)Nc1n[nH]c(C2CC2)c1C#N)c1cccc(Cl)c1 ZINC000359716030 465484089 /nfs/dbraw/zinc/48/40/89/465484089.db2.gz LAMFHXMCXUXQSU-OAHLLOKOSA-N 1 2 343.818 3.054 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCC2(C)CCC2)cn1 ZINC000329969203 465490508 /nfs/dbraw/zinc/49/05/08/465490508.db2.gz XCVIHXDTIXDYPB-GJZGRUSLSA-N 1 2 337.443 2.026 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCC2(C)CCC2)cn1 ZINC000329969203 465490514 /nfs/dbraw/zinc/49/05/14/465490514.db2.gz XCVIHXDTIXDYPB-GJZGRUSLSA-N 1 2 337.443 2.026 20 30 EEEDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@@]2(CCOC2)O1 ZINC000330086113 465528928 /nfs/dbraw/zinc/52/89/28/465528928.db2.gz RWAHTCQWOKTOQX-KBXCAEBGSA-N 1 2 348.399 2.273 20 30 EEEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@@]2(CCOC2)O1 ZINC000330086113 465528936 /nfs/dbraw/zinc/52/89/36/465528936.db2.gz RWAHTCQWOKTOQX-KBXCAEBGSA-N 1 2 348.399 2.273 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(OC)cc3c2O[C@@H](C)C3)C1=O ZINC000343600001 465533334 /nfs/dbraw/zinc/53/33/34/465533334.db2.gz IRGWAROJHFDAGO-SUMWQHHRSA-N 1 2 330.428 2.237 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(OC)cc3c2O[C@@H](C)C3)C1=O ZINC000343600001 465533339 /nfs/dbraw/zinc/53/33/39/465533339.db2.gz IRGWAROJHFDAGO-SUMWQHHRSA-N 1 2 330.428 2.237 20 30 EEEDLO COc1ccc(OC)c([C@@H](C)NC(=O)C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352492495 465534938 /nfs/dbraw/zinc/53/49/38/465534938.db2.gz YTCXUZDKOVDKKM-CYBMUJFWSA-N 1 2 349.406 2.209 20 30 EEEDLO CN(C(=O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)C1CC1 ZINC000348331693 465554523 /nfs/dbraw/zinc/55/45/23/465554523.db2.gz RGPRPLRPVHPRQU-KRWDZBQOSA-N 1 2 346.862 2.143 20 30 EEEDLO C=C(C)C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccc(CO)o1 ZINC000352790763 465555087 /nfs/dbraw/zinc/55/50/87/465555087.db2.gz GGBOIJNMALASAS-GOSISDBHSA-N 1 2 333.432 2.204 20 30 EEEDLO C=C(C)C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccc(CO)o1 ZINC000352790763 465555093 /nfs/dbraw/zinc/55/50/93/465555093.db2.gz GGBOIJNMALASAS-GOSISDBHSA-N 1 2 333.432 2.204 20 30 EEEDLO Cc1nc(N2CCC(NC(=O)c3ccsc3)CC2)nc(N(C)C)[nH+]1 ZINC000330169461 465557168 /nfs/dbraw/zinc/55/71/68/465557168.db2.gz BLDNSMXSIRYMPR-UHFFFAOYSA-N 1 2 346.460 2.281 20 30 EEEDLO Cc1nc(N(C)C)nc(N2CCC(NC(=O)c3ccsc3)CC2)[nH+]1 ZINC000330169461 465557171 /nfs/dbraw/zinc/55/71/71/465557171.db2.gz BLDNSMXSIRYMPR-UHFFFAOYSA-N 1 2 346.460 2.281 20 30 EEEDLO Cc1ccccc1N1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330181976 465560240 /nfs/dbraw/zinc/56/02/40/465560240.db2.gz GXKBCUKIBARKQU-INIZCTEOSA-N 1 2 339.443 2.243 20 30 EEEDLO Cc1ccccc1N1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330181976 465560244 /nfs/dbraw/zinc/56/02/44/465560244.db2.gz GXKBCUKIBARKQU-INIZCTEOSA-N 1 2 339.443 2.243 20 30 EEEDLO Cc1cc([NH+](C)C)cc(C)c1NC([O-])=[NH+]C[C@H]1CCS(=O)(=O)C1 ZINC000330401022 465645173 /nfs/dbraw/zinc/64/51/73/465645173.db2.gz KABNIHUBOWGRQQ-CYBMUJFWSA-N 1 2 339.461 2.130 20 30 EEEDLO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1c(F)cncc1F ZINC000353206543 465715871 /nfs/dbraw/zinc/71/58/71/465715871.db2.gz WNONWTXAWLCEHL-LLVKDONJSA-N 1 2 330.338 2.198 20 30 EEEDLO CC(=O)Nc1ccc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000330792215 465804907 /nfs/dbraw/zinc/80/49/07/465804907.db2.gz BVSHBVCQGRDVPZ-UHFFFAOYSA-N 1 2 334.420 2.082 20 30 EEEDLO FC(F)C(F)(F)COCC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000345777977 465903271 /nfs/dbraw/zinc/90/32/71/465903271.db2.gz FTPWAJAAZIXGHC-UHFFFAOYSA-N 1 2 326.256 2.083 20 30 EEEDLO CC[C@H](C)[C@H](OC)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000353556543 465975450 /nfs/dbraw/zinc/97/54/50/465975450.db2.gz CZCMTCNFPRFOBM-YJBOKZPZSA-N 1 2 329.444 2.264 20 30 EEEDLO CC(C)(CC#N)CS(=O)(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000331327344 466034533 /nfs/dbraw/zinc/03/45/33/466034533.db2.gz NDRGHDDSTFINMU-UHFFFAOYSA-N 1 2 341.502 2.135 20 30 EEEDLO C[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@@]1=O ZINC000353818424 466174233 /nfs/dbraw/zinc/17/42/33/466174233.db2.gz HJWADOCVIITINB-OWJWWREXSA-N 1 2 342.468 2.417 20 30 EEEDLO C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@@]1=O ZINC000353818424 466174239 /nfs/dbraw/zinc/17/42/39/466174239.db2.gz HJWADOCVIITINB-OWJWWREXSA-N 1 2 342.468 2.417 20 30 EEEDLO C=CC[N@@H+](CC(=O)OCC)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000367283965 466238962 /nfs/dbraw/zinc/23/89/62/466238962.db2.gz BOUNMQNDBUXHLI-INIZCTEOSA-N 1 2 330.428 2.200 20 30 EEEDLO C=CC[N@H+](CC(=O)OCC)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000367283965 466238967 /nfs/dbraw/zinc/23/89/67/466238967.db2.gz BOUNMQNDBUXHLI-INIZCTEOSA-N 1 2 330.428 2.200 20 30 EEEDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)CC(=O)NC1(C#N)CCC1 ZINC000346968855 466287886 /nfs/dbraw/zinc/28/78/86/466287886.db2.gz FLOMSGCBKKMOJI-UHFFFAOYSA-N 1 2 342.443 2.126 20 30 EEEDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)CC(=O)NC1(C#N)CCC1 ZINC000346968855 466287896 /nfs/dbraw/zinc/28/78/96/466287896.db2.gz FLOMSGCBKKMOJI-UHFFFAOYSA-N 1 2 342.443 2.126 20 30 EEEDLO CSc1nc(C2CC2)cc(C(=O)NCCn2cc[nH+]c2)c1C#N ZINC000340810197 466354333 /nfs/dbraw/zinc/35/43/33/466354333.db2.gz CEVFPSLHLTXJFB-UHFFFAOYSA-N 1 2 327.413 2.179 20 30 EEEDLO CC1CCN(C(=O)C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000332534860 466544909 /nfs/dbraw/zinc/54/49/09/466544909.db2.gz XMYBYHBAUPTSQL-UHFFFAOYSA-N 1 2 344.434 2.078 20 30 EEEDLO N#CC1(NC(=O)C[N@H+](Cc2cccs2)[C@H]2C=C[C@H](CO)C2)CCC1 ZINC000347336025 466575368 /nfs/dbraw/zinc/57/53/68/466575368.db2.gz NVPYOTIXXMSXKR-GJZGRUSLSA-N 1 2 345.468 2.050 20 30 EEEDLO N#CC1(NC(=O)C[N@@H+](Cc2cccs2)[C@H]2C=C[C@H](CO)C2)CCC1 ZINC000347336025 466575375 /nfs/dbraw/zinc/57/53/75/466575375.db2.gz NVPYOTIXXMSXKR-GJZGRUSLSA-N 1 2 345.468 2.050 20 30 EEEDLO C=CCNC(=O)Cc1noc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000350713225 466585369 /nfs/dbraw/zinc/58/53/69/466585369.db2.gz UAWPWSZKBTYFBS-OAHLLOKOSA-N 1 2 344.390 2.391 20 30 EEEDLO C=CCNC(=O)Cc1noc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000350713225 466585373 /nfs/dbraw/zinc/58/53/73/466585373.db2.gz UAWPWSZKBTYFBS-OAHLLOKOSA-N 1 2 344.390 2.391 20 30 EEEDLO COc1cc(C#N)ccc1OCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421553253 466657523 /nfs/dbraw/zinc/65/75/23/466657523.db2.gz DLLMOCOXAVFACM-UHFFFAOYSA-N 1 2 325.368 2.274 20 30 EEEDLO COCCCn1nccc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000368550741 466667264 /nfs/dbraw/zinc/66/72/64/466667264.db2.gz HRAPAXKUUKOSCI-UHFFFAOYSA-N 1 2 339.443 2.372 20 30 EEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000363964564 466670203 /nfs/dbraw/zinc/67/02/03/466670203.db2.gz LHHLOIXZDRZMHH-GFCCVEGCSA-N 1 2 336.804 2.461 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1C ZINC000368949966 466706745 /nfs/dbraw/zinc/70/67/45/466706745.db2.gz KVAHXONJGVLMDL-RLFYNMQTSA-N 1 2 329.444 2.059 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1C ZINC000368949966 466706749 /nfs/dbraw/zinc/70/67/49/466706749.db2.gz KVAHXONJGVLMDL-RLFYNMQTSA-N 1 2 329.444 2.059 20 30 EEEDLO COC(=O)[C@@]1(C)CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000412059641 466988525 /nfs/dbraw/zinc/98/85/25/466988525.db2.gz CTRRVOYMOXFLQI-KRWDZBQOSA-N 1 2 349.818 2.425 20 30 EEEDLO COC(=O)[C@@]1(C)CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000412059641 466988530 /nfs/dbraw/zinc/98/85/30/466988530.db2.gz CTRRVOYMOXFLQI-KRWDZBQOSA-N 1 2 349.818 2.425 20 30 EEEDLO N#CC[N@@H+](C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CCCC1 ZINC000419208886 467175935 /nfs/dbraw/zinc/17/59/35/467175935.db2.gz SAZJVDDXEIAGHJ-MRXNPFEDSA-N 1 2 343.427 2.079 20 30 EEEDLO N#CC[N@H+](C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CCCC1 ZINC000419208886 467175937 /nfs/dbraw/zinc/17/59/37/467175937.db2.gz SAZJVDDXEIAGHJ-MRXNPFEDSA-N 1 2 343.427 2.079 20 30 EEEDLO COC1(C(F)(F)F)CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000419355828 467192582 /nfs/dbraw/zinc/19/25/82/467192582.db2.gz RRSPNFNAHXZPFZ-ZDUSSCGKSA-N 1 2 341.333 2.128 20 30 EEEDLO COC(=O)c1csc(C[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000451035891 467232365 /nfs/dbraw/zinc/23/23/65/467232365.db2.gz JMINMNDZULTPMC-UHFFFAOYSA-N 1 2 345.424 2.450 20 30 EEEDLO COC(=O)c1csc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000451035891 467232369 /nfs/dbraw/zinc/23/23/69/467232369.db2.gz JMINMNDZULTPMC-UHFFFAOYSA-N 1 2 345.424 2.450 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451695612 467265857 /nfs/dbraw/zinc/26/58/57/467265857.db2.gz DYGZZLZWHBEZSR-SPUZQDLCSA-N 1 2 328.412 2.255 20 30 EEEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451695612 467265859 /nfs/dbraw/zinc/26/58/59/467265859.db2.gz DYGZZLZWHBEZSR-SPUZQDLCSA-N 1 2 328.412 2.255 20 30 EEEDLO C[N@H+](CC#Cc1cccc(Cl)c1)Cc1ccccc1S(N)(=O)=O ZINC000432999376 467282316 /nfs/dbraw/zinc/28/23/16/467282316.db2.gz BWMBSCIMDCMOBH-UHFFFAOYSA-N 1 2 348.855 2.471 20 30 EEEDLO C[N@@H+](CC#Cc1cccc(Cl)c1)Cc1ccccc1S(N)(=O)=O ZINC000432999376 467282320 /nfs/dbraw/zinc/28/23/20/467282320.db2.gz BWMBSCIMDCMOBH-UHFFFAOYSA-N 1 2 348.855 2.471 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2Cc2cccc(F)c2C#N)O1 ZINC000428941601 467282357 /nfs/dbraw/zinc/28/23/57/467282357.db2.gz WMCZLIHLFAFJDO-JKEMJCCQSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2Cc2cccc(F)c2C#N)O1 ZINC000428941601 467282359 /nfs/dbraw/zinc/28/23/59/467282359.db2.gz WMCZLIHLFAFJDO-JKEMJCCQSA-N 1 2 332.375 2.381 20 30 EEEDLO CC#CCCNC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000440734435 467571085 /nfs/dbraw/zinc/57/10/85/467571085.db2.gz SYQSOKXBDFOJHA-UHFFFAOYSA-N 1 2 348.406 2.070 20 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/nfs/dbraw/zinc/71/56/72/467715672.db2.gz HHPXKTDTEHADQI-HIFRSBDPSA-N 1 2 345.447 2.473 20 30 EEEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c1C#N ZINC000496792311 467716392 /nfs/dbraw/zinc/71/63/92/467716392.db2.gz QFDRVWXLFACQIG-CQSZACIVSA-N 1 2 345.399 2.007 20 30 EEEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c1C#N ZINC000496792311 467716395 /nfs/dbraw/zinc/71/63/95/467716395.db2.gz QFDRVWXLFACQIG-CQSZACIVSA-N 1 2 345.399 2.007 20 30 EEEDLO COCC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000457385631 467812267 /nfs/dbraw/zinc/81/22/67/467812267.db2.gz JWIGUNVTWMGYSO-UHFFFAOYSA-N 1 2 341.455 2.409 20 30 EEEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000505739876 467940175 /nfs/dbraw/zinc/94/01/75/467940175.db2.gz MGUGRGDCQYNNNX-AWEZNQCLSA-N 1 2 332.404 2.145 20 30 EEEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000472346476 467987667 /nfs/dbraw/zinc/98/76/67/467987667.db2.gz JBZKFNOFCXVJIA-KRWDZBQOSA-N 1 2 329.363 2.205 20 30 EEEDLO Cc1ccc(C)n1-c1nc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)cs1 ZINC000517804215 468098178 /nfs/dbraw/zinc/09/81/78/468098178.db2.gz IVFREQFMFUXNAB-QGZVFWFLSA-N 1 2 345.472 2.053 20 30 EEEDLO COc1ccccc1[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1ccco1 ZINC000575040729 468134560 /nfs/dbraw/zinc/13/45/60/468134560.db2.gz ISKNIRQORSORFS-BEFAXECRSA-N 1 2 343.427 2.174 20 30 EEEDLO COc1ccccc1[C@H](NC[C@@H](O)C[N@H+](C)CCC#N)c1ccco1 ZINC000575040729 468134566 /nfs/dbraw/zinc/13/45/66/468134566.db2.gz ISKNIRQORSORFS-BEFAXECRSA-N 1 2 343.427 2.174 20 30 EEEDLO COc1ccccc1[C@H](NC[C@@H](O)C[N@@H+](C)CCC#N)c1ccco1 ZINC000575040729 468134568 /nfs/dbraw/zinc/13/45/68/468134568.db2.gz ISKNIRQORSORFS-BEFAXECRSA-N 1 2 343.427 2.174 20 30 EEEDLO CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567114287 468164916 /nfs/dbraw/zinc/16/49/16/468164916.db2.gz INQRJZPTKFCHOP-FZKQIMNGSA-N 1 2 342.447 2.284 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000589827801 468186381 /nfs/dbraw/zinc/18/63/81/468186381.db2.gz LEUQZNRHSAQGGY-SFHVURJKSA-N 1 2 326.400 2.234 20 30 EEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)C[C@H](C)N1Cc1ccc(C#N)cn1 ZINC000550674673 468221690 /nfs/dbraw/zinc/22/16/90/468221690.db2.gz NSCIEWPANAVYHU-IYBDPMFKSA-N 1 2 346.438 2.315 20 30 EEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@H](C)N1Cc1ccc(C#N)cn1 ZINC000550674673 468221695 /nfs/dbraw/zinc/22/16/95/468221695.db2.gz NSCIEWPANAVYHU-IYBDPMFKSA-N 1 2 346.438 2.315 20 30 EEEDLO C[C@@H]1CN(Cc2ccc(C#N)cn2)C[C@H](C)[N@H+]1Cc1ccc(C#N)cn1 ZINC000550674673 468221698 /nfs/dbraw/zinc/22/16/98/468221698.db2.gz NSCIEWPANAVYHU-IYBDPMFKSA-N 1 2 346.438 2.315 20 30 EEEDLO C[C@@H]1CN(Cc2ccc(C#N)cn2)C[C@H](C)[N@@H+]1Cc1ccc(C#N)cn1 ZINC000550674673 468221702 /nfs/dbraw/zinc/22/17/02/468221702.db2.gz NSCIEWPANAVYHU-IYBDPMFKSA-N 1 2 346.438 2.315 20 30 EEEDLO Cc1cc(N2CCN(C(=O)NCC3(C#N)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000578708043 468240527 /nfs/dbraw/zinc/24/05/27/468240527.db2.gz SRDPWGNALWTLGB-UHFFFAOYSA-N 1 2 342.447 2.044 20 30 EEEDLO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000569814774 468547409 /nfs/dbraw/zinc/54/74/09/468547409.db2.gz JOWVBTJBELWRGA-XHDPSFHLSA-N 1 2 343.349 2.433 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000592152417 468641137 /nfs/dbraw/zinc/64/11/37/468641137.db2.gz XLDJSQZLVFRFHD-CQSZACIVSA-N 1 2 339.189 2.028 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000592152417 468641140 /nfs/dbraw/zinc/64/11/40/468641140.db2.gz XLDJSQZLVFRFHD-CQSZACIVSA-N 1 2 339.189 2.028 20 30 EEEDLO N#Cc1cccc2c1CCN2C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583558396 468715325 /nfs/dbraw/zinc/71/53/25/468715325.db2.gz MXBGJYWMOHLOIT-HXUWFJFHSA-N 1 2 347.418 2.348 20 30 EEEDLO N#Cc1cccc2c1CCN2C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583558396 468715331 /nfs/dbraw/zinc/71/53/31/468715331.db2.gz MXBGJYWMOHLOIT-HXUWFJFHSA-N 1 2 347.418 2.348 20 30 EEEDLO N#Cc1nccc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1 ZINC000583641004 468734396 /nfs/dbraw/zinc/73/43/96/468734396.db2.gz AXDDFMRKEMQRRJ-UHFFFAOYSA-N 1 2 343.818 2.203 20 30 EEEDLO C[C@H]1C[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CCC1(F)F ZINC000562228645 468924147 /nfs/dbraw/zinc/92/41/47/468924147.db2.gz JEDGORBCHKWKTI-SMDDNHRTSA-N 1 2 333.338 2.167 20 30 EEEDLO C[C@H]1C[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CCC1(F)F ZINC000562228645 468924150 /nfs/dbraw/zinc/92/41/50/468924150.db2.gz JEDGORBCHKWKTI-SMDDNHRTSA-N 1 2 333.338 2.167 20 30 EEEDLO COC(=O)[C@@]1([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC[C@@H](C)CC1 ZINC000595714894 468966318 /nfs/dbraw/zinc/96/63/18/468966318.db2.gz VOLUAIQJSNUHIU-QOKNQOGYSA-N 1 2 346.427 2.009 20 30 EEEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000602666537 468997832 /nfs/dbraw/zinc/99/78/32/468997832.db2.gz KRMGIPYWFMJDKJ-UKRRQHHQSA-N 1 2 334.441 2.204 20 30 EEEDLO Cc1nsc(N2CCN([C@@H](c3[nH+]ccn3C)C3CC3)CC2)c1C#N ZINC000602665895 468997928 /nfs/dbraw/zinc/99/79/28/468997928.db2.gz DLNHBTJJEOGVSU-OAHLLOKOSA-N 1 2 342.472 2.330 20 30 EEEDLO N#Cc1sccc1N1CCN(Cc2cc3c(c[nH+]2)OCCO3)CC1 ZINC000602706819 469023781 /nfs/dbraw/zinc/02/37/81/469023781.db2.gz MOYAYKAYKBYDSX-UHFFFAOYSA-N 1 2 342.424 2.108 20 30 EEEDLO N#CCCCCCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000588251622 469133094 /nfs/dbraw/zinc/13/30/94/469133094.db2.gz MTGIXLGETAGOBX-GOSISDBHSA-N 1 2 329.444 2.478 20 30 EEEDLO N#CCCCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000588251622 469133095 /nfs/dbraw/zinc/13/30/95/469133095.db2.gz MTGIXLGETAGOBX-GOSISDBHSA-N 1 2 329.444 2.478 20 30 EEEDLO CCc1nc(C#N)cc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC000596129100 469169811 /nfs/dbraw/zinc/16/98/11/469169811.db2.gz MKGQWVLAWRLVOZ-CQSZACIVSA-N 1 2 331.370 2.904 20 30 EEEDLO COc1cc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)ccn1 ZINC000611194786 469188366 /nfs/dbraw/zinc/18/83/66/469188366.db2.gz MXBCXCTUWDNRJJ-UHFFFAOYSA-N 1 2 339.399 2.149 20 30 EEEDLO N#Cc1cc(O)cc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000589162878 469205115 /nfs/dbraw/zinc/20/51/15/469205115.db2.gz YGDIJFCSLHPKDN-UHFFFAOYSA-N 1 2 332.363 2.439 20 30 EEEDLO N#Cc1sccc1N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000596352091 469248851 /nfs/dbraw/zinc/24/88/51/469248851.db2.gz BWDGTPRFOBRJIB-UHFFFAOYSA-N 1 2 340.456 2.337 20 30 EEEDLO N#Cc1sccc1N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000596352091 469248854 /nfs/dbraw/zinc/24/88/54/469248854.db2.gz BWDGTPRFOBRJIB-UHFFFAOYSA-N 1 2 340.456 2.337 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000611432331 469249275 /nfs/dbraw/zinc/24/92/75/469249275.db2.gz SZDQADWDOOKYHU-WMZOPIPTSA-N 1 2 334.508 2.332 20 30 EEEDLO N#CCC1(CNC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CC1 ZINC000574258060 469270913 /nfs/dbraw/zinc/27/09/13/469270913.db2.gz MPAWGCIGDMHHIX-UHFFFAOYSA-N 1 2 330.407 2.347 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc(Cc2ccccc2)s1 ZINC000574694836 469278298 /nfs/dbraw/zinc/27/82/98/469278298.db2.gz RQDHCICCCYPNLZ-KRWDZBQOSA-N 1 2 328.441 2.308 20 30 EEEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)CO1 ZINC000596641847 469319393 /nfs/dbraw/zinc/31/93/93/469319393.db2.gz YFPAJVSXBANHQN-NWDGAFQWSA-N 1 2 336.823 2.442 20 30 EEEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)CO1 ZINC000596641847 469319395 /nfs/dbraw/zinc/31/93/95/469319395.db2.gz YFPAJVSXBANHQN-NWDGAFQWSA-N 1 2 336.823 2.442 20 30 EEEDLO C[C@@H](Nc1c(C#N)cnn1-c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000603287344 469336744 /nfs/dbraw/zinc/33/67/44/469336744.db2.gz GFHWYEGCONCEPM-CABCVRRESA-N 1 2 325.416 2.265 20 30 EEEDLO N#CCc1cccc(S(=O)(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000619478627 469620371 /nfs/dbraw/zinc/62/03/71/469620371.db2.gz DYKNDLARULLPGN-UHFFFAOYSA-N 1 2 341.436 2.047 20 30 EEEDLO CC(C)CNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647533 469658221 /nfs/dbraw/zinc/65/82/21/469658221.db2.gz XJSZSEMSISEPSN-CRAIPNDOSA-N 1 2 346.450 2.169 20 30 EEEDLO N#Cc1ccc(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1Cl ZINC000619780968 469680682 /nfs/dbraw/zinc/68/06/82/469680682.db2.gz MSOQHJBMKUDBLX-QGZVFWFLSA-N 1 2 347.846 2.471 20 30 EEEDLO N#Cc1ccc(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1Cl ZINC000619780968 469680688 /nfs/dbraw/zinc/68/06/88/469680688.db2.gz MSOQHJBMKUDBLX-QGZVFWFLSA-N 1 2 347.846 2.471 20 30 EEEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000609484655 469931674 /nfs/dbraw/zinc/93/16/74/469931674.db2.gz FDEYPDWNTYWLDW-BDXSIMOUSA-N 1 2 334.508 2.236 20 30 EEEDLO N#Cc1cccnc1N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609564093 469940070 /nfs/dbraw/zinc/94/00/70/469940070.db2.gz FZVARIYHBDOLLD-KRWDZBQOSA-N 1 2 342.830 2.462 20 30 EEEDLO CC1(C)C[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609572395 469941518 /nfs/dbraw/zinc/94/15/18/469941518.db2.gz ZANHLFXYYURNSI-KRWDZBQOSA-N 1 2 326.444 2.432 20 30 EEEDLO CC#CC[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000627977168 470036362 /nfs/dbraw/zinc/03/63/62/470036362.db2.gz IXXKGTMANPIHQK-DLBZAZTESA-N 1 2 334.847 2.195 20 30 EEEDLO CC#CC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000627977168 470036365 /nfs/dbraw/zinc/03/63/65/470036365.db2.gz IXXKGTMANPIHQK-DLBZAZTESA-N 1 2 334.847 2.195 20 30 EEEDLO Cc1cc(C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c(C)n1-c1nccs1 ZINC000646031271 470498985 /nfs/dbraw/zinc/49/89/85/470498985.db2.gz ZKRQOUFWGAOBPM-QGZVFWFLSA-N 1 2 344.440 2.084 20 30 EEEDLO Cc1cc(C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c(C)n1-c1nccs1 ZINC000646031271 470498991 /nfs/dbraw/zinc/49/89/91/470498991.db2.gz ZKRQOUFWGAOBPM-QGZVFWFLSA-N 1 2 344.440 2.084 20 30 EEEDLO C=CCn1cc(C(=O)NCc2ccc3c(c2)[nH+]c(C)n3C2CC2)nn1 ZINC000649219888 470503222 /nfs/dbraw/zinc/50/32/22/470503222.db2.gz UNEXKROHLUIMEX-UHFFFAOYSA-N 1 2 336.399 2.387 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635889192 470799044 /nfs/dbraw/zinc/79/90/44/470799044.db2.gz IJNTZOWWEBQSJJ-GUYCJALGSA-N 1 2 327.384 2.289 20 30 EEEDLO C=CC[N@@H+](Cc1cn(C)nc1-c1ccc(C)o1)[C@H]1CCS(=O)(=O)C1 ZINC000648003411 471044126 /nfs/dbraw/zinc/04/41/26/471044126.db2.gz BUBYXURJTVYIOF-HNNXBMFYSA-N 1 2 349.456 2.164 20 30 EEEDLO C=CC[N@H+](Cc1cn(C)nc1-c1ccc(C)o1)[C@H]1CCS(=O)(=O)C1 ZINC000648003411 471044127 /nfs/dbraw/zinc/04/41/27/471044127.db2.gz BUBYXURJTVYIOF-HNNXBMFYSA-N 1 2 349.456 2.164 20 30 EEEDLO C=CCCn1cc(C[NH2+][C@H]2CCCN(c3ccccc3F)C2=O)nn1 ZINC000657420437 471131057 /nfs/dbraw/zinc/13/10/57/471131057.db2.gz PSKKHPQLZRLRHM-INIZCTEOSA-N 1 2 343.406 2.279 20 30 EEEDLO C=CCOc1cccc(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000665847743 472213068 /nfs/dbraw/zinc/21/30/68/472213068.db2.gz BCFOHRPHRPKZKT-GJZGRUSLSA-N 1 2 333.432 2.482 20 30 EEEDLO C=CCOc1cccc(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000665847743 472213075 /nfs/dbraw/zinc/21/30/75/472213075.db2.gz BCFOHRPHRPKZKT-GJZGRUSLSA-N 1 2 333.432 2.482 20 30 EEEDLO Cc1cc(C)c(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000411166892 534068902 /nfs/dbraw/zinc/06/89/02/534068902.db2.gz VLGDNZJMQTYKMQ-UHFFFAOYSA-N 1 2 336.395 2.476 20 30 EEEDLO CC#CC[NH+]1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000158686740 526364174 /nfs/dbraw/zinc/36/41/74/526364174.db2.gz SLNWSKVGJGBSEG-UHFFFAOYSA-N 1 2 330.457 2.372 20 30 EEEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000171536539 526450236 /nfs/dbraw/zinc/45/02/36/526450236.db2.gz HFNUIUUWYBWPAW-UHFFFAOYSA-N 1 2 334.363 2.033 20 30 EEEDLO C=CCC(C)(C)C(=O)N(CC)CCNc1[nH+]cnc2c1cnn2C ZINC001106968633 782177855 /nfs/dbraw/zinc/17/78/55/782177855.db2.gz WTDDRTGIPASJTO-UHFFFAOYSA-N 1 2 330.436 2.226 20 30 EEEDLO C[C@H](C[NH+]1CCN(C)CC1)/N=C\c1cc(Br)ccc1O ZINC000730147023 576720671 /nfs/dbraw/zinc/72/06/71/576720671.db2.gz JPTXEDWUYDMGTJ-HJPCULJESA-N 1 2 340.265 2.210 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2ccccc2OCc2ccncc2)CC1 ZINC000733160961 577206590 /nfs/dbraw/zinc/20/65/90/577206590.db2.gz ISKKRFWMWFIFFP-UHFFFAOYSA-N 1 2 335.407 2.052 20 30 EEEDLO C#C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCO2)[C@@H]1CCCO1 ZINC000775342685 577435435 /nfs/dbraw/zinc/43/54/35/577435435.db2.gz SLJKOZNZNFBBLF-OLZOCXBDSA-N 1 2 338.201 2.448 20 30 EEEDLO C#C[C@@H]([NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1)[C@H]1CCCO1 ZINC000775342942 577435490 /nfs/dbraw/zinc/43/54/90/577435490.db2.gz UELCIDVHMLQTKA-HZPDHXFCSA-N 1 2 334.782 2.330 20 30 EEEDLO CCOC(=O)N1CCC[C@H]([C@H](C)/[NH+]=C\c2ccc(O)c(O)c2O)C1 ZINC000776722269 577466534 /nfs/dbraw/zinc/46/65/34/577466534.db2.gz PRIKGVSBGWVIGK-SUGDOHJOSA-N 1 2 336.388 2.479 20 30 EEEDLO N#CCc1ccccc1CC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000777292085 577476094 /nfs/dbraw/zinc/47/60/94/577476094.db2.gz WKCNYKBLRKGYMB-UHFFFAOYSA-N 1 2 334.423 2.035 20 30 EEEDLO CC(C)(C)OCC(N)=[NH+]O[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000768935131 577566085 /nfs/dbraw/zinc/56/60/85/577566085.db2.gz SITMUZKFHPAHGB-HNNXBMFYSA-N 1 2 344.415 2.367 20 30 EEEDLO COC(=O)[C@H](COC(C)C)[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000770356817 577594542 /nfs/dbraw/zinc/59/45/42/577594542.db2.gz ZQAHZCLBKOAHDH-PBHICJAKSA-N 1 2 334.416 2.376 20 30 EEEDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000770356817 577594543 /nfs/dbraw/zinc/59/45/43/577594543.db2.gz ZQAHZCLBKOAHDH-PBHICJAKSA-N 1 2 334.416 2.376 20 30 EEEDLO C[S@](=O)CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000771148526 577610646 /nfs/dbraw/zinc/61/06/46/577610646.db2.gz VTAAZBWTTVMGOI-QHCPKHFHSA-N 1 2 345.390 2.078 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2cc(C)sc2Br)CC1 ZINC000760584522 577666261 /nfs/dbraw/zinc/66/62/61/577666261.db2.gz GCHRMQMYOZSLRB-UHFFFAOYSA-N 1 2 327.247 2.210 20 30 EEEDLO Cn1c2ccccc2nc1N[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000755648870 577828549 /nfs/dbraw/zinc/82/85/49/577828549.db2.gz RKHLVDJLAWOMCD-UHFFFAOYSA-N 1 2 342.428 2.312 20 30 EEEDLO Cn1c2ccccc2[nH+]c1[N-][NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000755648870 577828550 /nfs/dbraw/zinc/82/85/50/577828550.db2.gz RKHLVDJLAWOMCD-UHFFFAOYSA-N 1 2 342.428 2.312 20 30 EEEDLO N#Cc1ccc(CNC(=O)CO[NH+]=C(N)c2cccc(Cl)c2)cc1 ZINC000746095037 577922211 /nfs/dbraw/zinc/92/22/11/577922211.db2.gz DCNLUVIGGLIDNU-UHFFFAOYSA-N 1 2 342.786 2.375 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(Cl)c(Cl)c2)CC1 ZINC000749990577 577985270 /nfs/dbraw/zinc/98/52/70/577985270.db2.gz PKBPVUJEFPBGAZ-UHFFFAOYSA-N 1 2 326.227 2.183 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000749990674 577985296 /nfs/dbraw/zinc/98/52/96/577985296.db2.gz QJSXNOBGXDYPFU-UHFFFAOYSA-N 1 2 345.446 2.447 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000739818483 578068894 /nfs/dbraw/zinc/06/88/94/578068894.db2.gz LJGRUMLQECSUNY-YJBOKZPZSA-N 1 2 345.418 2.453 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000739818483 578068895 /nfs/dbraw/zinc/06/88/95/578068895.db2.gz LJGRUMLQECSUNY-YJBOKZPZSA-N 1 2 345.418 2.453 20 30 EEEDLO C=CCCCCC[N@@H+](C)Cn1nc(N2CCOCC2)n(C)c1=S ZINC000739886945 578071653 /nfs/dbraw/zinc/07/16/53/578071653.db2.gz CYVNBBJXEDEGSS-UHFFFAOYSA-N 1 2 339.509 2.423 20 30 EEEDLO C=CCCCCC[N@H+](C)Cn1nc(N2CCOCC2)n(C)c1=S ZINC000739886945 578071654 /nfs/dbraw/zinc/07/16/54/578071654.db2.gz 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C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2nc(C)c(C)o2)C1 ZINC000970571457 675993756 /nfs/dbraw/zinc/99/37/56/675993756.db2.gz KUPXSSUKMIJMPB-OWQGQXMQSA-N 1 2 347.459 2.209 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2n[nH]c3c2CCCCC3)C1 ZINC000970869171 676207879 /nfs/dbraw/zinc/20/78/79/676207879.db2.gz PCKRUSDDRHEDCA-LBPRGKRZSA-N 1 2 336.867 2.481 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC000969832409 675240110 /nfs/dbraw/zinc/24/01/10/675240110.db2.gz UMAAIKBFXZYWJY-KDOFPFPSSA-N 1 2 332.448 2.315 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H](C)C1C[NH+](Cc2ccn(CC)n2)C1 ZINC000969838545 675242647 /nfs/dbraw/zinc/24/26/47/675242647.db2.gz YXAXQYZMDUSMIA-HNNXBMFYSA-N 1 2 341.459 2.141 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC000970236891 675732927 /nfs/dbraw/zinc/73/29/27/675732927.db2.gz JBPJSEVNXGIFBP-SWLSCSKDSA-N 1 2 347.846 2.301 20 30 EEEDLO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC001021707113 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JVHOSNXEYDMZGG-NVXWUHKLSA-N 1 2 345.418 2.205 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cncc2[nH]cnc21 ZINC001024452864 679908502 /nfs/dbraw/zinc/90/85/02/679908502.db2.gz QXIWYSKABUSPPG-LBPRGKRZSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cncc2[nH]cnc21 ZINC001024452864 679908504 /nfs/dbraw/zinc/90/85/04/679908504.db2.gz QXIWYSKABUSPPG-LBPRGKRZSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cc2ccc(F)cn2)C(C)(C)C1 ZINC000974739385 685380134 /nfs/dbraw/zinc/38/01/34/685380134.db2.gz YKTXSTAXUWCVKS-CQSZACIVSA-N 1 2 325.815 2.342 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cc2ccc(F)cn2)C(C)(C)C1 ZINC000974739385 685380142 /nfs/dbraw/zinc/38/01/42/685380142.db2.gz YKTXSTAXUWCVKS-CQSZACIVSA-N 1 2 325.815 2.342 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1csc(COC)n1 ZINC001028345331 681197687 /nfs/dbraw/zinc/19/76/87/681197687.db2.gz DDKOIPBWDKBXHF-NSHDSACASA-N 1 2 329.853 2.236 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1csc(COC)n1 ZINC001028345331 681197691 /nfs/dbraw/zinc/19/76/91/681197691.db2.gz DDKOIPBWDKBXHF-NSHDSACASA-N 1 2 329.853 2.236 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1csc(COC)n1 ZINC001028345330 681197982 /nfs/dbraw/zinc/19/79/82/681197982.db2.gz DDKOIPBWDKBXHF-LLVKDONJSA-N 1 2 329.853 2.236 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(COC)n1 ZINC001028345330 681197986 /nfs/dbraw/zinc/19/79/86/681197986.db2.gz DDKOIPBWDKBXHF-LLVKDONJSA-N 1 2 329.853 2.236 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCc2cccc3c2OCCO3)cc1 ZINC000177563634 681367859 /nfs/dbraw/zinc/36/78/59/681367859.db2.gz DTLWMBOBUGKWRX-UHFFFAOYSA-N 1 2 328.368 2.498 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)C[C@H]2CCOC2)C(C)(C)C1 ZINC000972980976 681682050 /nfs/dbraw/zinc/68/20/50/681682050.db2.gz SNKDBJIWLQTZEH-OLZOCXBDSA-N 1 2 345.281 2.148 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)C[C@H]2CCOC2)C(C)(C)C1 ZINC000972980976 681682053 /nfs/dbraw/zinc/68/20/53/681682053.db2.gz SNKDBJIWLQTZEH-OLZOCXBDSA-N 1 2 345.281 2.148 20 30 EEEDLO C[C@@]1(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)CCCOC1 ZINC000983026220 681685142 /nfs/dbraw/zinc/68/51/42/681685142.db2.gz KSHMFVOMKLLFFF-OAQYLSRUSA-N 1 2 340.467 2.389 20 30 EEEDLO C[C@@]1(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)CCCOC1 ZINC000983026220 681685146 /nfs/dbraw/zinc/68/51/46/681685146.db2.gz KSHMFVOMKLLFFF-OAQYLSRUSA-N 1 2 340.467 2.389 20 30 EEEDLO Cc1nsc(N2CC[NH+](Cc3cnn(C)c3C3CC3)CC2)c1C#N ZINC000894545160 682963220 /nfs/dbraw/zinc/96/32/20/682963220.db2.gz SUTIBEXIVMHGFP-UHFFFAOYSA-N 1 2 342.472 2.256 20 30 EEEDLO C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCCN(CC#N)C1 ZINC001025581439 683036249 /nfs/dbraw/zinc/03/62/49/683036249.db2.gz CUWHYIAZIPJEMC-DOTOQJQBSA-N 1 2 337.427 2.226 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)C(F)F)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000992945618 683674982 /nfs/dbraw/zinc/67/49/82/683674982.db2.gz ISMBPLMHUUHIIJ-HZMBPMFUSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@H]1[C@@H](NC(=O)C(F)F)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000992945618 683674984 /nfs/dbraw/zinc/67/49/84/683674984.db2.gz ISMBPLMHUUHIIJ-HZMBPMFUSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)C(F)F)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000992949573 683678187 /nfs/dbraw/zinc/67/81/87/683678187.db2.gz PPXVVALGSMZUTN-YGRLFVJLSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)C(F)F)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000992949573 683678189 /nfs/dbraw/zinc/67/81/89/683678189.db2.gz PPXVVALGSMZUTN-YGRLFVJLSA-N 1 2 325.334 2.432 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cnns2)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000993077319 683886503 /nfs/dbraw/zinc/88/65/03/683886503.db2.gz HTAQFUXOEUEFDY-IUODEOHRSA-N 1 2 341.440 2.193 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2cnns2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000993077319 683886508 /nfs/dbraw/zinc/88/65/08/683886508.db2.gz HTAQFUXOEUEFDY-IUODEOHRSA-N 1 2 341.440 2.193 20 30 EEEDLO CON=Cc1ccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000914847878 683986645 /nfs/dbraw/zinc/98/66/45/683986645.db2.gz HBZRHILNLMUSKI-UHFFFAOYSA-N 1 2 326.400 2.172 20 30 EEEDLO Cc1ncc(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)o1 ZINC001029335946 684021507 /nfs/dbraw/zinc/02/15/07/684021507.db2.gz CMNYNBQMSMUZGI-KDURUIRLSA-N 1 2 349.434 2.252 20 30 EEEDLO Cc1ncc(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)o1 ZINC001029335946 684021509 /nfs/dbraw/zinc/02/15/09/684021509.db2.gz CMNYNBQMSMUZGI-KDURUIRLSA-N 1 2 349.434 2.252 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)[C@@H](C)c3ncccn3)C2)nc1 ZINC001027656333 693813013 /nfs/dbraw/zinc/81/30/13/693813013.db2.gz NNYCNIZAEIDSSJ-RDJZCZTQSA-N 1 2 349.438 2.151 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)[C@@H](C)c3ncccn3)C2)nc1 ZINC001027656333 693813017 /nfs/dbraw/zinc/81/30/17/693813017.db2.gz NNYCNIZAEIDSSJ-RDJZCZTQSA-N 1 2 349.438 2.151 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000984129606 684136692 /nfs/dbraw/zinc/13/66/92/684136692.db2.gz LUVGWOZZHMNKAF-HNNXBMFYSA-N 1 2 344.459 2.148 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)nnn1CC ZINC001029420004 684464576 /nfs/dbraw/zinc/46/45/76/684464576.db2.gz PUFCTEVWSCGNNJ-IYBDPMFKSA-N 1 2 345.491 2.384 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)nnn1CC ZINC001029420004 684464577 /nfs/dbraw/zinc/46/45/77/684464577.db2.gz PUFCTEVWSCGNNJ-IYBDPMFKSA-N 1 2 345.491 2.384 20 30 EEEDLO C=CCNC(=O)c1ccc(N2CCC(Nc3cccc[nH+]3)CC2)nc1 ZINC000895349713 684531976 /nfs/dbraw/zinc/53/19/76/684531976.db2.gz BJKCPWLIDMGIII-UHFFFAOYSA-N 1 2 337.427 2.473 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)o1 ZINC000974472841 684963960 /nfs/dbraw/zinc/96/39/60/684963960.db2.gz PKLNSANWUUUTIG-DOMZBBRYSA-N 1 2 341.415 2.384 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)o1 ZINC000974472841 684963961 /nfs/dbraw/zinc/96/39/61/684963961.db2.gz PKLNSANWUUUTIG-DOMZBBRYSA-N 1 2 341.415 2.384 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)on2)CC1(C)C ZINC000974587391 685085927 /nfs/dbraw/zinc/08/59/27/685085927.db2.gz KQAAPHRAUFFLQS-IXDOHACOSA-N 1 2 347.459 2.291 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)on2)CC1(C)C ZINC000974587391 685085944 /nfs/dbraw/zinc/08/59/44/685085944.db2.gz KQAAPHRAUFFLQS-IXDOHACOSA-N 1 2 347.459 2.291 20 30 EEEDLO Cc1ccc(C(=O)/C=C/C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000899932272 693928837 /nfs/dbraw/zinc/92/88/37/693928837.db2.gz JQQFJOGJCYUJPO-MDZDMXLPSA-N 1 2 335.407 2.478 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1cnco1 ZINC000974872119 685659094 /nfs/dbraw/zinc/65/90/94/685659094.db2.gz QPVSMEDVVWUBSK-MRXNPFEDSA-N 1 2 342.374 2.326 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1cnco1 ZINC000974872119 685659096 /nfs/dbraw/zinc/65/90/96/685659096.db2.gz QPVSMEDVVWUBSK-MRXNPFEDSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2C#N)CCOC1 ZINC001029529805 685733964 /nfs/dbraw/zinc/73/39/64/685733964.db2.gz MUVHEGVBOKQSPZ-NSHGMRRFSA-N 1 2 339.439 2.160 20 30 EEEDLO C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2C#N)CCOC1 ZINC001029529805 685733969 /nfs/dbraw/zinc/73/39/69/685733969.db2.gz MUVHEGVBOKQSPZ-NSHGMRRFSA-N 1 2 339.439 2.160 20 30 EEEDLO C=C(Br)C[N@@H+](C)C1CCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC000985335563 686346721 /nfs/dbraw/zinc/34/67/21/686346721.db2.gz ZYMBPKALKJUSGV-UHFFFAOYSA-N 1 2 341.253 2.163 20 30 EEEDLO C=C(Br)C[N@H+](C)C1CCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC000985335563 686346729 /nfs/dbraw/zinc/34/67/29/686346729.db2.gz ZYMBPKALKJUSGV-UHFFFAOYSA-N 1 2 341.253 2.163 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nc(N(C)C)no2)C1 ZINC001029797852 687121578 /nfs/dbraw/zinc/12/15/78/687121578.db2.gz CGUCXATZLDHJBA-AWEZNQCLSA-N 1 2 349.479 2.018 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2nc(N(C)C)no2)C1 ZINC001029797852 687121579 /nfs/dbraw/zinc/12/15/79/687121579.db2.gz CGUCXATZLDHJBA-AWEZNQCLSA-N 1 2 349.479 2.018 20 30 EEEDLO C=C1CCC(C(=O)N2CCC([N@@H+](C)Cc3ncnn3CC)CC2)CC1 ZINC000985614872 687316982 /nfs/dbraw/zinc/31/69/82/687316982.db2.gz ORGCKMOSYXGMSR-UHFFFAOYSA-N 1 2 345.491 2.467 20 30 EEEDLO C=C1CCC(C(=O)N2CCC([N@H+](C)Cc3ncnn3CC)CC2)CC1 ZINC000985614872 687316984 /nfs/dbraw/zinc/31/69/84/687316984.db2.gz ORGCKMOSYXGMSR-UHFFFAOYSA-N 1 2 345.491 2.467 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)on1 ZINC001006719215 688005495 /nfs/dbraw/zinc/00/54/95/688005495.db2.gz DRMJPHZCYGDODW-GFCCVEGCSA-N 1 2 330.413 2.311 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)on1 ZINC001006719215 688005500 /nfs/dbraw/zinc/00/55/00/688005500.db2.gz DRMJPHZCYGDODW-GFCCVEGCSA-N 1 2 330.413 2.311 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)on1 ZINC001027751180 694332200 /nfs/dbraw/zinc/33/22/00/694332200.db2.gz DHJMLPAXWRAEEG-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)on1 ZINC001027751180 694332201 /nfs/dbraw/zinc/33/22/01/694332201.db2.gz DHJMLPAXWRAEEG-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc(-c3ccn(C)c3)[nH]n2)C1 ZINC000988938597 691311261 /nfs/dbraw/zinc/31/12/61/691311261.db2.gz HYKLSHZOGAJWAL-OCCSQVGLSA-N 1 2 347.850 2.360 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001059966572 691594084 /nfs/dbraw/zinc/59/40/84/691594084.db2.gz LMQPQXMJEFSXES-BBWFWOEESA-N 1 2 344.459 2.099 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@@]34CCOC4)CC2)s1 ZINC000989440982 691779644 /nfs/dbraw/zinc/77/96/44/691779644.db2.gz YWBDQVXESVUKMR-FUHWJXTLSA-N 1 2 345.468 2.081 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@@]34CCOC4)CC2)s1 ZINC000989440982 691779647 /nfs/dbraw/zinc/77/96/47/691779647.db2.gz YWBDQVXESVUKMR-FUHWJXTLSA-N 1 2 345.468 2.081 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCc2cncc(F)c2)CC1 ZINC000989804674 692315889 /nfs/dbraw/zinc/31/58/89/692315889.db2.gz IVJJWMZQLMNOEY-UHFFFAOYSA-N 1 2 325.815 2.440 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCc2cncc(F)c2)CC1 ZINC000989804674 692315892 /nfs/dbraw/zinc/31/58/92/692315892.db2.gz IVJJWMZQLMNOEY-UHFFFAOYSA-N 1 2 325.815 2.440 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)Cc2noc3c2COCC3)C1 ZINC001027521873 692614772 /nfs/dbraw/zinc/61/47/72/692614772.db2.gz MZTIZKZEUFHITF-AWEZNQCLSA-N 1 2 347.459 2.382 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2noc3c2COCC3)C1 ZINC001027521873 692614774 /nfs/dbraw/zinc/61/47/74/692614774.db2.gz MZTIZKZEUFHITF-AWEZNQCLSA-N 1 2 347.459 2.382 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ncc3n2CCCC3)C(C)(C)C1 ZINC000977607690 692817785 /nfs/dbraw/zinc/81/77/85/692817785.db2.gz WDTAJMIFPZPVPY-AWEZNQCLSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ncc3n2CCCC3)C(C)(C)C1 ZINC000977607690 692817790 /nfs/dbraw/zinc/81/77/90/692817790.db2.gz WDTAJMIFPZPVPY-AWEZNQCLSA-N 1 2 336.867 2.412 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC001027612202 693500676 /nfs/dbraw/zinc/50/06/76/693500676.db2.gz CXFIJXWDZCOIMA-RYRKJORJSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC001027612202 693500680 /nfs/dbraw/zinc/50/06/80/693500680.db2.gz CXFIJXWDZCOIMA-RYRKJORJSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2nccs2)[C@H](C)C1 ZINC000943755878 1192533071 /nfs/dbraw/zinc/53/30/71/1192533071.db2.gz ITNTVIMNCULFAS-KOLCDFICSA-N 1 2 344.278 2.492 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2nccs2)[C@H](C)C1 ZINC000943755878 1192533074 /nfs/dbraw/zinc/53/30/74/1192533074.db2.gz ITNTVIMNCULFAS-KOLCDFICSA-N 1 2 344.278 2.492 20 30 EEEDLO C=C(Cl)C[N@H+](CCC)CCNC(=O)Cc1n[nH]c2c1CCCC2 ZINC001481136473 1179894668 /nfs/dbraw/zinc/89/46/68/1179894668.db2.gz FAZAQQVJJANKLL-UHFFFAOYSA-N 1 2 338.883 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+](CCC)CCNC(=O)Cc1n[nH]c2c1CCCC2 ZINC001481136473 1179894674 /nfs/dbraw/zinc/89/46/74/1179894674.db2.gz FAZAQQVJJANKLL-UHFFFAOYSA-N 1 2 338.883 2.412 20 30 EEEDLO CO[C@@H]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032221052 1193213766 /nfs/dbraw/zinc/21/37/66/1193213766.db2.gz WCBRVXLVMKOCQJ-RBUKOAKNSA-N 1 2 341.455 2.311 20 30 EEEDLO C=CC[C@@H](C)C(=O)N1C[C@H]2C[C@@]2(C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001268906975 1183808279 /nfs/dbraw/zinc/80/82/79/1183808279.db2.gz CGCVDNJZJIYYFG-PJIJBLCYSA-N 1 2 338.411 2.334 20 30 EEEDLO C=CCN1CC[C@]2(CCN(C(=O)CCc3ccc(C)[nH+]c3C)C2)C1=O ZINC001269506748 1184328221 /nfs/dbraw/zinc/32/82/21/1184328221.db2.gz MQOKKWMJRQAUJI-HXUWFJFHSA-N 1 2 341.455 2.268 20 30 EEEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(=O)[nH]2)cc1 ZINC001271561922 1186312435 /nfs/dbraw/zinc/31/24/35/1186312435.db2.gz LQRJJMPSAPPYJF-HDICACEKSA-N 1 2 348.406 2.148 20 30 EEEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc(=O)[nH]2)cc1 ZINC001271561922 1186312440 /nfs/dbraw/zinc/31/24/40/1186312440.db2.gz LQRJJMPSAPPYJF-HDICACEKSA-N 1 2 348.406 2.148 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)no1 ZINC001088457949 1186943265 /nfs/dbraw/zinc/94/32/65/1186943265.db2.gz BRDYNECUDMOTQN-WBMJQRKESA-N 1 2 342.374 2.387 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C)no1 ZINC001088457949 1186943271 /nfs/dbraw/zinc/94/32/71/1186943271.db2.gz BRDYNECUDMOTQN-WBMJQRKESA-N 1 2 342.374 2.387 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1ccncc1Cl ZINC001088513549 1187115749 /nfs/dbraw/zinc/11/57/49/1187115749.db2.gz XTUMMBURADCUQL-ABAIWWIYSA-N 1 2 343.818 2.328 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1ccncc1Cl ZINC001088513549 1187115751 /nfs/dbraw/zinc/11/57/51/1187115751.db2.gz XTUMMBURADCUQL-ABAIWWIYSA-N 1 2 343.818 2.328 20 30 EEEDLO C=CCCC(=O)N1CC[C@H](n2cc(C[NH2+]Cc3ccsc3)nn2)C1 ZINC001098637286 1187136082 /nfs/dbraw/zinc/13/60/82/1187136082.db2.gz JNSQIXWXWCTZNP-INIZCTEOSA-N 1 2 345.472 2.369 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ncccc2O)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088538953 1187190029 /nfs/dbraw/zinc/19/00/29/1187190029.db2.gz ZTLZDHDIWXZEBT-RISCZKNCSA-N 1 2 342.424 2.113 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ncccc2O)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088538953 1187190031 /nfs/dbraw/zinc/19/00/31/1187190031.db2.gz ZTLZDHDIWXZEBT-RISCZKNCSA-N 1 2 342.424 2.113 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C)cc2Cl)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041425 1187633245 /nfs/dbraw/zinc/63/32/45/1187633245.db2.gz PCGNUSZNBQGKGT-APHBMKBZSA-N 1 2 335.835 2.124 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C)cc2Cl)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041425 1187633247 /nfs/dbraw/zinc/63/32/47/1187633247.db2.gz PCGNUSZNBQGKGT-APHBMKBZSA-N 1 2 335.835 2.124 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncoc2[C@H]2CCCO2)[C@H]1C ZINC001088794251 1188522952 /nfs/dbraw/zinc/52/29/52/1188522952.db2.gz SZPWYQKIDRMXGO-FRRDWIJNSA-N 1 2 339.823 2.471 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ncoc2[C@H]2CCCO2)[C@H]1C ZINC001088794251 1188522954 /nfs/dbraw/zinc/52/29/54/1188522954.db2.gz SZPWYQKIDRMXGO-FRRDWIJNSA-N 1 2 339.823 2.471 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3occ4c3CCOC4)[C@@H]2C1 ZINC001076089825 1188707777 /nfs/dbraw/zinc/70/77/77/1188707777.db2.gz UFZJGGKFGRTPTQ-SWLSCSKDSA-N 1 2 336.819 2.251 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3occ4c3CCOC4)[C@@H]2C1 ZINC001076089825 1188707779 /nfs/dbraw/zinc/70/77/79/1188707779.db2.gz UFZJGGKFGRTPTQ-SWLSCSKDSA-N 1 2 336.819 2.251 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4nccn4CC)C[C@H]32)cc1 ZINC001076117488 1188727490 /nfs/dbraw/zinc/72/74/90/1188727490.db2.gz KQZANROFRDAZOD-RBUKOAKNSA-N 1 2 348.450 2.231 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4nccn4CC)C[C@H]32)cc1 ZINC001076117488 1188727493 /nfs/dbraw/zinc/72/74/93/1188727493.db2.gz KQZANROFRDAZOD-RBUKOAKNSA-N 1 2 348.450 2.231 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3nn(C)c4c3CCCC4)[C@@H]2C1 ZINC001076269901 1188822007 /nfs/dbraw/zinc/82/20/07/1188822007.db2.gz JIKSJVIHIFXBQA-XJKSGUPXSA-N 1 2 348.878 2.198 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3nn(C)c4c3CCCC4)[C@@H]2C1 ZINC001076269901 1188822012 /nfs/dbraw/zinc/82/20/12/1188822012.db2.gz JIKSJVIHIFXBQA-XJKSGUPXSA-N 1 2 348.878 2.198 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)n3nc(C)cc3C)[C@@H]2C1 ZINC001076628126 1189054874 /nfs/dbraw/zinc/05/48/74/1189054874.db2.gz YWZMKZVNXCBLPH-OWCLPIDISA-N 1 2 336.867 2.346 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)n3nc(C)cc3C)[C@@H]2C1 ZINC001076628126 1189054876 /nfs/dbraw/zinc/05/48/76/1189054876.db2.gz YWZMKZVNXCBLPH-OWCLPIDISA-N 1 2 336.867 2.346 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)C[C@H]3C=CCC3)CC2)C1 ZINC001105684578 1189243402 /nfs/dbraw/zinc/24/34/02/1189243402.db2.gz BKVQNLDQTKXWKP-KRWDZBQOSA-N 1 2 348.487 2.237 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)/C=C(/C)C3CC3)CC2)C1 ZINC001105691566 1189400041 /nfs/dbraw/zinc/40/00/41/1189400041.db2.gz SMBKQJOBFGMBIO-SSZFMOIBSA-N 1 2 348.487 2.237 20 30 EEEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1cc(Cl)ccc1O)C2 ZINC001272636046 1190942553 /nfs/dbraw/zinc/94/25/53/1190942553.db2.gz AMEZKGVVMIXTPJ-UHFFFAOYSA-N 1 2 336.819 2.035 20 30 EEEDLO C=CCCCCC[N@@H+]1C[C@]2(F)CN(Cc3cnoc3)C(=O)[C@]2(F)C1 ZINC001272699441 1191766356 /nfs/dbraw/zinc/76/63/56/1191766356.db2.gz JMAUYQXMIFHGJS-DLBZAZTESA-N 1 2 339.386 2.495 20 30 EEEDLO C=CCCCCC[N@H+]1C[C@]2(F)CN(Cc3cnoc3)C(=O)[C@]2(F)C1 ZINC001272699441 1191766358 /nfs/dbraw/zinc/76/63/58/1191766358.db2.gz JMAUYQXMIFHGJS-DLBZAZTESA-N 1 2 339.386 2.495 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001033877952 1195415893 /nfs/dbraw/zinc/41/58/93/1195415893.db2.gz FEWGLJXRYJPAFK-LSDHHAIUSA-N 1 2 336.867 2.121 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001033877952 1195415895 /nfs/dbraw/zinc/41/58/95/1195415895.db2.gz FEWGLJXRYJPAFK-LSDHHAIUSA-N 1 2 336.867 2.121 20 30 EEEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@H+](Cc3cnnn3CC)C2)CC1 ZINC001033946827 1195546058 /nfs/dbraw/zinc/54/60/58/1195546058.db2.gz YTFDRCMGVHCUBM-KRWDZBQOSA-N 1 2 345.491 2.467 20 30 EEEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3cnnn3CC)C2)CC1 ZINC001033946827 1195546062 /nfs/dbraw/zinc/54/60/62/1195546062.db2.gz YTFDRCMGVHCUBM-KRWDZBQOSA-N 1 2 345.491 2.467 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc3ncccc3s2)C1 ZINC001108115183 1195756335 /nfs/dbraw/zinc/75/63/35/1195756335.db2.gz MNFYSXODAVALCG-QGZVFWFLSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc3ncccc3s2)C1 ZINC001108115183 1195756338 /nfs/dbraw/zinc/75/63/38/1195756338.db2.gz MNFYSXODAVALCG-QGZVFWFLSA-N 1 2 331.441 2.303 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCCC[N@H+](Cc3nccs3)C2)c1 ZINC001034163582 1195880881 /nfs/dbraw/zinc/88/08/81/1195880881.db2.gz MTJOGSNJVABHCQ-ZDUSSCGKSA-N 1 2 329.429 2.127 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCCC[N@@H+](Cc3nccs3)C2)c1 ZINC001034163582 1195880883 /nfs/dbraw/zinc/88/08/83/1195880883.db2.gz MTJOGSNJVABHCQ-ZDUSSCGKSA-N 1 2 329.429 2.127 20 30 EEEDLO C[C@H](c1ncccn1)[N@@H+]1CCCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171335 1195893155 /nfs/dbraw/zinc/89/31/55/1195893155.db2.gz NNRLHKJOZGIZFC-UKRRQHHQSA-N 1 2 338.415 2.022 20 30 EEEDLO C[C@H](c1ncccn1)[N@H+]1CCCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171335 1195893159 /nfs/dbraw/zinc/89/31/59/1195893159.db2.gz NNRLHKJOZGIZFC-UKRRQHHQSA-N 1 2 338.415 2.022 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001034263222 1196014687 /nfs/dbraw/zinc/01/46/87/1196014687.db2.gz WGBXMSNJOWEFLO-AWEZNQCLSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001034263222 1196014690 /nfs/dbraw/zinc/01/46/90/1196014690.db2.gz WGBXMSNJOWEFLO-AWEZNQCLSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(N(C)C)nc2)C1 ZINC001034283120 1196046495 /nfs/dbraw/zinc/04/64/95/1196046495.db2.gz QNOFTTDHKBQYIT-HNNXBMFYSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(N(C)C)nc2)C1 ZINC001034283120 1196046499 /nfs/dbraw/zinc/04/64/99/1196046499.db2.gz QNOFTTDHKBQYIT-HNNXBMFYSA-N 1 2 336.867 2.484 20 30 EEEDLO C[C@]1(CNC(=O)CCCF)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108124416 1196059671 /nfs/dbraw/zinc/05/96/71/1196059671.db2.gz KNMGXMZAYKSTPQ-SFHVURJKSA-N 1 2 333.407 2.015 20 30 EEEDLO C[C@]1(CNC(=O)CCCF)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001108124416 1196059674 /nfs/dbraw/zinc/05/96/74/1196059674.db2.gz KNMGXMZAYKSTPQ-SFHVURJKSA-N 1 2 333.407 2.015 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3ncc(C)o3)C2)c1 ZINC001034390417 1196174551 /nfs/dbraw/zinc/17/45/51/1196174551.db2.gz AAAIVZVLSMCEPU-QGZVFWFLSA-N 1 2 338.411 2.144 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H]2CCCC[N@H+](Cc3ncc(C)o3)C2)c1 ZINC001034390417 1196174554 /nfs/dbraw/zinc/17/45/54/1196174554.db2.gz AAAIVZVLSMCEPU-QGZVFWFLSA-N 1 2 338.411 2.144 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001034407004 1196179458 /nfs/dbraw/zinc/17/94/58/1196179458.db2.gz VHPZLDKGZJJRQR-MGPQQGTHSA-N 1 2 345.281 2.433 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001034407004 1196179460 /nfs/dbraw/zinc/17/94/60/1196179460.db2.gz VHPZLDKGZJJRQR-MGPQQGTHSA-N 1 2 345.281 2.433 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2c1OCCCO2 ZINC001018099618 1224333858 /nfs/dbraw/zinc/33/38/58/1224333858.db2.gz PKSXYOJBANYTCR-IYBDPMFKSA-N 1 2 340.423 2.160 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2c1OCCCO2 ZINC001018099618 1224333865 /nfs/dbraw/zinc/33/38/65/1224333865.db2.gz PKSXYOJBANYTCR-IYBDPMFKSA-N 1 2 340.423 2.160 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cccnc2N(C)C)C1 ZINC001034527843 1196332347 /nfs/dbraw/zinc/33/23/47/1196332347.db2.gz MFRPYICSZZJKBD-AWEZNQCLSA-N 1 2 336.867 2.484 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cccnc2N(C)C)C1 ZINC001034527843 1196332350 /nfs/dbraw/zinc/33/23/50/1196332350.db2.gz MFRPYICSZZJKBD-AWEZNQCLSA-N 1 2 336.867 2.484 20 30 EEEDLO C[C@H](CNc1cccc(F)c1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001108131255 1196389814 /nfs/dbraw/zinc/38/98/14/1196389814.db2.gz AJNIGZLJRIWPPB-JHJVBQTASA-N 1 2 341.390 2.151 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CCC)c2ccccn2)C1 ZINC001108162826 1196756987 /nfs/dbraw/zinc/75/69/87/1196756987.db2.gz YZGXMDLJEQIZRC-APWZRJJASA-N 1 2 331.460 2.358 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CCC)c2ccccn2)C1 ZINC001108162826 1196756990 /nfs/dbraw/zinc/75/69/90/1196756990.db2.gz YZGXMDLJEQIZRC-APWZRJJASA-N 1 2 331.460 2.358 20 30 EEEDLO C#CC[C@H](CCOC)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000863780614 1197866572 /nfs/dbraw/zinc/86/65/72/1197866572.db2.gz FEYKYEVPDMUMRE-IAGOWNOFSA-N 1 2 325.412 2.476 20 30 EEEDLO C#CC[C@@H](CCOC)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000863790428 1197873951 /nfs/dbraw/zinc/87/39/51/1197873951.db2.gz HZBZUTAMJDLBJW-HNNXBMFYSA-N 1 2 345.468 2.421 20 30 EEEDLO COc1cccc(N[NH+]=Cc2c(OC)nc(N)nc2N2CCCC2)c1 ZINC000863967534 1197941942 /nfs/dbraw/zinc/94/19/42/1197941942.db2.gz MRJQVBSPJXOTHN-UHFFFAOYSA-N 1 2 342.403 2.122 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1OCCc2ccsc21 ZINC001018192576 1224448755 /nfs/dbraw/zinc/44/87/55/1224448755.db2.gz MWBFHZYXKXHBAL-OWCLPIDISA-N 1 2 330.453 2.060 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1OCCc2ccsc21 ZINC001018192576 1224448757 /nfs/dbraw/zinc/44/87/57/1224448757.db2.gz MWBFHZYXKXHBAL-OWCLPIDISA-N 1 2 330.453 2.060 20 30 EEEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000874709211 1198959476 /nfs/dbraw/zinc/95/94/76/1198959476.db2.gz YYJHEXPXEDKQDN-KRWDZBQOSA-N 1 2 347.434 2.202 20 30 EEEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000874709211 1198959481 /nfs/dbraw/zinc/95/94/81/1198959481.db2.gz YYJHEXPXEDKQDN-KRWDZBQOSA-N 1 2 347.434 2.202 20 30 EEEDLO CC[C@@H](C)N1CC2(C[NH+](CCCc3cccc(C#N)c3)C2)OCC1=O ZINC001273439406 1198965757 /nfs/dbraw/zinc/96/57/57/1198965757.db2.gz ICKVFRNIMBBTEN-MRXNPFEDSA-N 1 2 341.455 2.203 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)c(OCC)c1 ZINC001018247877 1224523649 /nfs/dbraw/zinc/52/36/49/1224523649.db2.gz VPHNXCSEUDXIMU-CALCHBBNSA-N 1 2 342.439 2.406 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)c(OCC)c1 ZINC001018247877 1224523658 /nfs/dbraw/zinc/52/36/58/1224523658.db2.gz VPHNXCSEUDXIMU-CALCHBBNSA-N 1 2 342.439 2.406 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001132002066 1199187918 /nfs/dbraw/zinc/18/79/18/1199187918.db2.gz GODUQAHRAWECBR-IRXDYDNUSA-N 1 2 342.487 2.492 20 30 EEEDLO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001132002066 1199187924 /nfs/dbraw/zinc/18/79/24/1199187924.db2.gz GODUQAHRAWECBR-IRXDYDNUSA-N 1 2 342.487 2.492 20 30 EEEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccccc2)C1 ZINC001132017406 1199212065 /nfs/dbraw/zinc/21/20/65/1199212065.db2.gz OTTNTNIOAPKCNR-WMZOPIPTSA-N 1 2 341.455 2.254 20 30 EEEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC001132017406 1199212070 /nfs/dbraw/zinc/21/20/70/1199212070.db2.gz OTTNTNIOAPKCNR-WMZOPIPTSA-N 1 2 341.455 2.254 20 30 EEEDLO C[C@H](C[C@H](C)[NH2+]CC(F)(F)C(F)F)NC(=O)c1ccc(C#N)[nH]1 ZINC001134156554 1199364526 /nfs/dbraw/zinc/36/45/26/1199364526.db2.gz MJYHNARAKOHAFQ-DTWKUNHWSA-N 1 2 334.317 2.273 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCc2nc(C)no2)CC[C@@H]1C ZINC001132209996 1199433006 /nfs/dbraw/zinc/43/30/06/1199433006.db2.gz AAIRZPDUYIGZBJ-WCQYABFASA-N 1 2 326.828 2.032 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCc2nc(C)no2)CC[C@@H]1C ZINC001132209996 1199433010 /nfs/dbraw/zinc/43/30/10/1199433010.db2.gz AAIRZPDUYIGZBJ-WCQYABFASA-N 1 2 326.828 2.032 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCc2ccco2)C1 ZINC001132257064 1199496559 /nfs/dbraw/zinc/49/65/59/1199496559.db2.gz SWHAJGARCKCZIV-CVEARBPZSA-N 1 2 347.459 2.221 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCc2ccco2)C1 ZINC001132257064 1199496561 /nfs/dbraw/zinc/49/65/61/1199496561.db2.gz SWHAJGARCKCZIV-CVEARBPZSA-N 1 2 347.459 2.221 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3cnnn3C)C2)CCCC1 ZINC001132546696 1199843334 /nfs/dbraw/zinc/84/33/34/1199843334.db2.gz PXRICAPCSHAONI-JKSUJKDBSA-N 1 2 345.491 2.421 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3cnnn3C)C2)CCCC1 ZINC001132546696 1199843340 /nfs/dbraw/zinc/84/33/40/1199843340.db2.gz PXRICAPCSHAONI-JKSUJKDBSA-N 1 2 345.491 2.421 20 30 EEEDLO C=CCOCCCC(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000870157381 1200521616 /nfs/dbraw/zinc/52/16/16/1200521616.db2.gz VSFJKRRDUGOSMJ-UHFFFAOYSA-N 1 2 332.444 2.322 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](CC)C(=O)Nc2ccc(C)cc2)C1=O ZINC000878549350 1200536686 /nfs/dbraw/zinc/53/66/86/1200536686.db2.gz FDGUYHRJFICTHS-IAGOWNOFSA-N 1 2 329.444 2.431 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](CC)C(=O)Nc2ccc(C)cc2)C1=O ZINC000878549350 1200536694 /nfs/dbraw/zinc/53/66/94/1200536694.db2.gz FDGUYHRJFICTHS-IAGOWNOFSA-N 1 2 329.444 2.431 20 30 EEEDLO C=C1CCC(C(=O)NCC[NH2+]Cc2nnc(C(F)F)s2)CC1 ZINC001133365522 1200798503 /nfs/dbraw/zinc/79/85/03/1200798503.db2.gz VOKYJIDGYWRXAU-UHFFFAOYSA-N 1 2 330.404 2.428 20 30 EEEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000879138024 1200883594 /nfs/dbraw/zinc/88/35/94/1200883594.db2.gz ZSFFQLMIBDDNPB-HUUCEWRRSA-N 1 2 346.431 2.210 20 30 EEEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000879138024 1200883604 /nfs/dbraw/zinc/88/36/04/1200883604.db2.gz ZSFFQLMIBDDNPB-HUUCEWRRSA-N 1 2 346.431 2.210 20 30 EEEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cccc(C#N)n3)CC2)cc1 ZINC000881619313 1201727273 /nfs/dbraw/zinc/72/72/73/1201727273.db2.gz XQXMTMYMWTYBJD-UHFFFAOYSA-N 1 2 334.423 2.474 20 30 EEEDLO Cc1ccc([C@H](CNc2cc(C#N)nc(C)n2)[NH+]2CCOCC2)cc1 ZINC000881829310 1201768758 /nfs/dbraw/zinc/76/87/58/1201768758.db2.gz IDXQCDOITPVYII-SFHVURJKSA-N 1 2 337.427 2.451 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC[C@H]2C)CC1 ZINC001018442159 1224720471 /nfs/dbraw/zinc/72/04/71/1224720471.db2.gz RWUFIUZUOMBDQV-GDBMZVCRSA-N 1 2 344.459 2.194 20 30 EEEDLO C[C@@](O)(C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1)C(F)F ZINC000886173081 1202479347 /nfs/dbraw/zinc/47/93/47/1202479347.db2.gz FOCDEVAXILUTKX-OAHLLOKOSA-N 1 2 329.778 2.350 20 30 EEEDLO Cc1cc(C#N)ccc1C[NH+]1CC2(C1)COCC(=O)N2C1CCCC1 ZINC001274031559 1204337433 /nfs/dbraw/zinc/33/74/33/1204337433.db2.gz UOLKRTJRCORQOV-UHFFFAOYSA-N 1 2 339.439 2.223 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cc(F)c(Cl)cc2O)C1=O ZINC001274063066 1204351432 /nfs/dbraw/zinc/35/14/32/1204351432.db2.gz HHRDZPQQTLZIJM-QGZVFWFLSA-N 1 2 336.794 2.385 20 30 EEEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)c(Cl)cc2O)C1=O ZINC001274063066 1204351434 /nfs/dbraw/zinc/35/14/34/1204351434.db2.gz HHRDZPQQTLZIJM-QGZVFWFLSA-N 1 2 336.794 2.385 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2sc(=O)[nH]c2Cl)C1=O ZINC001274175202 1204436640 /nfs/dbraw/zinc/43/66/40/1204436640.db2.gz ZBADEFYOTUJMTP-AWEZNQCLSA-N 1 2 327.837 2.255 20 30 EEEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2sc(=O)[nH]c2Cl)C1=O ZINC001274175202 1204436643 /nfs/dbraw/zinc/43/66/43/1204436643.db2.gz ZBADEFYOTUJMTP-AWEZNQCLSA-N 1 2 327.837 2.255 20 30 EEEDLO Cn1ccnc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cccc(C#N)c1 ZINC001275305592 1205304888 /nfs/dbraw/zinc/30/48/88/1205304888.db2.gz ZILOHKCDVYKUEP-QZTJIDSGSA-N 1 2 349.438 2.057 20 30 EEEDLO Cn1ccnc1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cccc(C#N)c1 ZINC001275305592 1205304890 /nfs/dbraw/zinc/30/48/90/1205304890.db2.gz ZILOHKCDVYKUEP-QZTJIDSGSA-N 1 2 349.438 2.057 20 30 EEEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cccc(CF)n4)C3)C2)cc1C#N ZINC001275506370 1205388219 /nfs/dbraw/zinc/38/82/19/1205388219.db2.gz UNUXWJPKJBGNQV-UHFFFAOYSA-N 1 2 339.418 2.079 20 30 EEEDLO Cc1cc(C#N)cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cn[nH]c2)c1 ZINC001275585318 1205430846 /nfs/dbraw/zinc/43/08/46/1205430846.db2.gz RWNCDVGJCNZWKU-HDICACEKSA-N 1 2 335.411 2.079 20 30 EEEDLO Cc1cc(C#N)cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cn[nH]c2)c1 ZINC001275585318 1205430848 /nfs/dbraw/zinc/43/08/48/1205430848.db2.gz RWNCDVGJCNZWKU-HDICACEKSA-N 1 2 335.411 2.079 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC001015193706 1224887779 /nfs/dbraw/zinc/88/77/79/1224887779.db2.gz KANVCZATYIHFIN-AWEZNQCLSA-N 1 2 333.819 2.128 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC001015193706 1224887782 /nfs/dbraw/zinc/88/77/82/1224887782.db2.gz KANVCZATYIHFIN-AWEZNQCLSA-N 1 2 333.819 2.128 20 30 EEEDLO Cn1cc(CN2CCC23C[NH+](Cc2ccc(C#N)cc2)C3)cc1C#N ZINC001275829394 1205554660 /nfs/dbraw/zinc/55/46/60/1205554660.db2.gz ZOOBWKQCBGKHJE-UHFFFAOYSA-N 1 2 331.423 2.229 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C)CC1 ZINC001015200753 1224898889 /nfs/dbraw/zinc/89/88/89/1224898889.db2.gz CKDPOTXVXNDGOR-PBHICJAKSA-N 1 2 344.459 2.194 20 30 EEEDLO C=CCC1(C(=O)NC2CCN(c3cc[nH+]c(C)n3)CC2)CCOCC1 ZINC001095422706 1205729179 /nfs/dbraw/zinc/72/91/79/1205729179.db2.gz LEMTYDWIBBYCQV-UHFFFAOYSA-N 1 2 344.459 2.243 20 30 EEEDLO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c3ccccc3c1=O)C2 ZINC001095676805 1205911185 /nfs/dbraw/zinc/91/11/85/1205911185.db2.gz QBZDZXUEXSWWIO-BVGQSLNGSA-N 1 2 337.423 2.439 20 30 EEEDLO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c3ccccc3c1=O)C2 ZINC001095676805 1205911187 /nfs/dbraw/zinc/91/11/87/1205911187.db2.gz QBZDZXUEXSWWIO-BVGQSLNGSA-N 1 2 337.423 2.439 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccnn2C)CCC1 ZINC001110987678 1206553205 /nfs/dbraw/zinc/55/32/05/1206553205.db2.gz ZXQDXUTWVROFNI-OIISXLGYSA-N 1 2 328.460 2.388 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccnn2C)CCC1 ZINC001110987678 1206553206 /nfs/dbraw/zinc/55/32/06/1206553206.db2.gz ZXQDXUTWVROFNI-OIISXLGYSA-N 1 2 328.460 2.388 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NCC1(Nc2cc[nH+]c(C)n2)CCOCC1 ZINC001110998753 1206585403 /nfs/dbraw/zinc/58/54/03/1206585403.db2.gz AKVZCCALRLUIJQ-AWEZNQCLSA-N 1 2 332.448 2.465 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CCC1 ZINC001111072217 1207942080 /nfs/dbraw/zinc/94/20/80/1207942080.db2.gz GZDYPNCFCUXWCA-ZACQAIPSSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CCC1 ZINC001111072217 1207942082 /nfs/dbraw/zinc/94/20/82/1207942082.db2.gz GZDYPNCFCUXWCA-ZACQAIPSSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2nc(C)no2)[C@H](C)C1 ZINC000947391569 1208556342 /nfs/dbraw/zinc/55/63/42/1208556342.db2.gz NKTHYUAJZZVILB-UKRRQHHQSA-N 1 2 343.431 2.148 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)no2)[C@H](C)C1 ZINC000947391569 1208556343 /nfs/dbraw/zinc/55/63/43/1208556343.db2.gz NKTHYUAJZZVILB-UKRRQHHQSA-N 1 2 343.431 2.148 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](CC)C2)C1 ZINC000948539000 1209204677 /nfs/dbraw/zinc/20/46/77/1209204677.db2.gz QDLWEDSDIZGLTA-GOEBONIOSA-N 1 2 344.459 2.052 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccnn1C(F)F ZINC000948919859 1209453442 /nfs/dbraw/zinc/45/34/42/1209453442.db2.gz SAIKDUJKZHRKBT-MRXNPFEDSA-N 1 2 344.365 2.241 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccnn1C(F)F ZINC000948919859 1209453444 /nfs/dbraw/zinc/45/34/44/1209453444.db2.gz SAIKDUJKZHRKBT-MRXNPFEDSA-N 1 2 344.365 2.241 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnc2[nH]ccc2c1 ZINC000948928345 1209457406 /nfs/dbraw/zinc/45/74/06/1209457406.db2.gz JHUNBKYQOLCUDL-LJQANCHMSA-N 1 2 344.418 2.477 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cnc2[nH]ccc2c1 ZINC000948928345 1209457407 /nfs/dbraw/zinc/45/74/07/1209457407.db2.gz JHUNBKYQOLCUDL-LJQANCHMSA-N 1 2 344.418 2.477 20 30 EEEDLO N#CCN1CCc2ccccc2[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC000948934983 1209461601 /nfs/dbraw/zinc/46/16/01/1209461601.db2.gz AWWFVXSGZYOGNV-GOSISDBHSA-N 1 2 345.406 2.187 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccn(C(C)C)n1 ZINC000948965029 1209477263 /nfs/dbraw/zinc/47/72/63/1209477263.db2.gz BXCNSSQWWIEXMH-LJQANCHMSA-N 1 2 336.439 2.426 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccn(C(C)C)n1 ZINC000948965029 1209477265 /nfs/dbraw/zinc/47/72/65/1209477265.db2.gz BXCNSSQWWIEXMH-LJQANCHMSA-N 1 2 336.439 2.426 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnn(CCC)c1 ZINC000948966164 1209477792 /nfs/dbraw/zinc/47/77/92/1209477792.db2.gz UYFGMSMVTICBDR-IBGZPJMESA-N 1 2 336.439 2.256 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnn(CCC)c1 ZINC000948966164 1209477794 /nfs/dbraw/zinc/47/77/94/1209477794.db2.gz UYFGMSMVTICBDR-IBGZPJMESA-N 1 2 336.439 2.256 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnn(C(F)F)c1 ZINC000948974587 1209483209 /nfs/dbraw/zinc/48/32/09/1209483209.db2.gz IQHHZUYLRTZTFT-INIZCTEOSA-N 1 2 344.365 2.241 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cnn(C(F)F)c1 ZINC000948974587 1209483212 /nfs/dbraw/zinc/48/32/12/1209483212.db2.gz IQHHZUYLRTZTFT-INIZCTEOSA-N 1 2 344.365 2.241 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(C)c(F)c3F)CC2)C1 ZINC000949474809 1209705026 /nfs/dbraw/zinc/70/50/26/1209705026.db2.gz NVRQLFIHPUWGGH-UHFFFAOYSA-N 1 2 348.393 2.213 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(C)c(F)c3F)CC2)C1 ZINC000949474809 1209705028 /nfs/dbraw/zinc/70/50/28/1209705028.db2.gz NVRQLFIHPUWGGH-UHFFFAOYSA-N 1 2 348.393 2.213 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](C[C@@H](O)c2cccc(OC)c2)CC1 ZINC000950051807 1209999346 /nfs/dbraw/zinc/99/93/46/1209999346.db2.gz VOKSFPVQRNNEML-UYAOXDASSA-N 1 2 346.471 2.475 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cccc(NC(=O)CC)c2)C1 ZINC000950466476 1210228835 /nfs/dbraw/zinc/22/88/35/1210228835.db2.gz QNQXSEWQRQZMIW-UHFFFAOYSA-N 1 2 327.428 2.205 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cccc3n[nH]cc32)C1 ZINC001015471043 1225300366 /nfs/dbraw/zinc/30/03/66/1225300366.db2.gz YPNNOFMFBYGFDD-INIZCTEOSA-N 1 2 345.406 2.439 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cccc3n[nH]cc32)C1 ZINC001015471043 1225300369 /nfs/dbraw/zinc/30/03/69/1225300369.db2.gz YPNNOFMFBYGFDD-INIZCTEOSA-N 1 2 345.406 2.439 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000953202563 1211702150 /nfs/dbraw/zinc/70/21/50/1211702150.db2.gz ZSLUMNPCYBZXFI-LJQANCHMSA-N 1 2 344.459 2.006 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@H](C)C2)C1 ZINC000955656179 1213240442 /nfs/dbraw/zinc/24/04/42/1213240442.db2.gz OHLNNXSEJDNSIM-CABCVRRESA-N 1 2 344.459 2.194 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)CC1 ZINC000955808005 1213345200 /nfs/dbraw/zinc/34/52/00/1213345200.db2.gz JPZZWPOKBOIPSF-GOEBONIOSA-N 1 2 344.459 2.194 20 30 EEEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cnc2n1CCCC2 ZINC001015602857 1225452194 /nfs/dbraw/zinc/45/21/94/1225452194.db2.gz ISPVBZGDGJYWEE-GOSISDBHSA-N 1 2 348.450 2.075 20 30 EEEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cnc2n1CCCC2 ZINC001015602857 1225452200 /nfs/dbraw/zinc/45/22/00/1225452200.db2.gz ISPVBZGDGJYWEE-GOSISDBHSA-N 1 2 348.450 2.075 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)cs1 ZINC001015604469 1225453939 /nfs/dbraw/zinc/45/39/39/1225453939.db2.gz QIGWHOZCRTZKGO-INIZCTEOSA-N 1 2 325.437 2.307 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cs1 ZINC001015604469 1225453944 /nfs/dbraw/zinc/45/39/44/1225453944.db2.gz QIGWHOZCRTZKGO-INIZCTEOSA-N 1 2 325.437 2.307 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2coc3ccccc23)C1 ZINC000958748641 1213793749 /nfs/dbraw/zinc/79/37/49/1213793749.db2.gz QLCMLRLCLBSWDR-SWLSCSKDSA-N 1 2 334.803 2.208 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2coc3ccccc23)C1 ZINC000958748641 1213793753 /nfs/dbraw/zinc/79/37/53/1213793753.db2.gz QLCMLRLCLBSWDR-SWLSCSKDSA-N 1 2 334.803 2.208 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)cc(C)[nH]c1=O)C2 ZINC001095908277 1213894120 /nfs/dbraw/zinc/89/41/20/1213894120.db2.gz KALZIDBVGFQWIJ-KBMXLJTQSA-N 1 2 349.862 2.421 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)cc(C)[nH]c1=O)C2 ZINC001095908277 1213894124 /nfs/dbraw/zinc/89/41/24/1213894124.db2.gz KALZIDBVGFQWIJ-KBMXLJTQSA-N 1 2 349.862 2.421 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CCC(C)CC3)C2)C1 ZINC001015671762 1225534349 /nfs/dbraw/zinc/53/43/49/1225534349.db2.gz DEXZTFFOOMAPAY-PREGVCBESA-N 1 2 347.503 2.228 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CCC(C)CC3)C2)C1 ZINC001015671762 1225534353 /nfs/dbraw/zinc/53/43/53/1225534353.db2.gz DEXZTFFOOMAPAY-PREGVCBESA-N 1 2 347.503 2.228 20 30 EEEDLO N#Cc1ccc(-c2nnc(CO[NH+]=C(N)Cc3cccnc3)o2)cc1 ZINC000092914511 1214692365 /nfs/dbraw/zinc/69/23/65/1214692365.db2.gz PSYJMNZNKJIUCI-UHFFFAOYSA-N 1 2 334.339 2.035 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(CCCC)no3)C[C@H]21 ZINC001114671505 1214740199 /nfs/dbraw/zinc/74/01/99/1214740199.db2.gz GUNSTQOIVZUZKE-VIKVFOODSA-N 1 2 332.448 2.171 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(CCCC)no3)C[C@H]21 ZINC001114671505 1214740203 /nfs/dbraw/zinc/74/02/03/1214740203.db2.gz GUNSTQOIVZUZKE-VIKVFOODSA-N 1 2 332.448 2.171 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H](CNc2nc(N(C)C)nc(C)[nH+]2)C[C@H]1C ZINC001114694730 1214996836 /nfs/dbraw/zinc/99/68/36/1214996836.db2.gz UVFOVXQIYLJGBM-HIFRSBDPSA-N 1 2 346.479 2.251 20 30 EEEDLO Cc1c[nH]cc1C(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000957644581 1215291330 /nfs/dbraw/zinc/29/13/30/1215291330.db2.gz WNUMDMVTFAMQQV-UHFFFAOYSA-N 1 2 338.411 2.184 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001114807039 1215410036 /nfs/dbraw/zinc/41/00/36/1215410036.db2.gz LRONICSXVPNJMS-IHRRRGAJSA-N 1 2 342.447 2.272 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCCC[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC000960023906 1216305960 /nfs/dbraw/zinc/30/59/60/1216305960.db2.gz ZTVUPRMUDZJVSY-HNNXBMFYSA-N 1 2 343.431 2.150 20 30 EEEDLO C[N@@H+](Cc1nccs1)C[C@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 ZINC000960540712 1216670278 /nfs/dbraw/zinc/67/02/78/1216670278.db2.gz PPCBOLQECXJGOS-CYBMUJFWSA-N 1 2 329.429 2.079 20 30 EEEDLO C[N@H+](Cc1nccs1)C[C@H]1CCCN1C(=O)c1cc(C#N)c[nH]1 ZINC000960540712 1216670282 /nfs/dbraw/zinc/67/02/82/1216670282.db2.gz PPCBOLQECXJGOS-CYBMUJFWSA-N 1 2 329.429 2.079 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1nc(C)cs1 ZINC000960886066 1216961317 /nfs/dbraw/zinc/96/13/17/1216961317.db2.gz ZMDKXGXOPLURRH-OAGGEKHMSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1nc(C)cs1 ZINC000960886066 1216961319 /nfs/dbraw/zinc/96/13/19/1216961319.db2.gz ZMDKXGXOPLURRH-OAGGEKHMSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncc(C)o1 ZINC000960927490 1216977712 /nfs/dbraw/zinc/97/77/12/1216977712.db2.gz LSEUXALJUXRXNT-BQFCYCMXSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncc(C)o1 ZINC000960927490 1216977714 /nfs/dbraw/zinc/97/77/14/1216977714.db2.gz LSEUXALJUXRXNT-BQFCYCMXSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4nc(CCCC)no4)C[C@H]32)C1 ZINC000961692111 1217278633 /nfs/dbraw/zinc/27/86/33/1217278633.db2.gz VIPOKTRQFVRQFB-HALDLXJZSA-N 1 2 344.459 2.315 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4nc(CCCC)no4)C[C@H]32)C1 ZINC000961692111 1217278637 /nfs/dbraw/zinc/27/86/37/1217278637.db2.gz VIPOKTRQFVRQFB-HALDLXJZSA-N 1 2 344.459 2.315 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4nc5c(o4)CCCC5)C[C@H]32)C1 ZINC000961733495 1217300268 /nfs/dbraw/zinc/30/02/68/1217300268.db2.gz OIOQXEPXPXTJRJ-UOIKSKOESA-N 1 2 341.455 2.456 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4nc5c(o4)CCCC5)C[C@H]32)C1 ZINC000961733495 1217300272 /nfs/dbraw/zinc/30/02/72/1217300272.db2.gz OIOQXEPXPXTJRJ-UOIKSKOESA-N 1 2 341.455 2.456 20 30 EEEDLO COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)o1 ZINC001015892690 1225796130 /nfs/dbraw/zinc/79/61/30/1225796130.db2.gz DFFMTLDMWUJJDA-HNNXBMFYSA-N 1 2 325.368 2.164 20 30 EEEDLO COc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)o1 ZINC001015892690 1225796133 /nfs/dbraw/zinc/79/61/33/1225796133.db2.gz DFFMTLDMWUJJDA-HNNXBMFYSA-N 1 2 325.368 2.164 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)c(C)o1 ZINC001015896049 1225799262 /nfs/dbraw/zinc/79/92/62/1225799262.db2.gz SRXLNAASDDLJIS-OAHLLOKOSA-N 1 2 342.374 2.307 20 30 EEEDLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)c(C)o1 ZINC001015896049 1225799266 /nfs/dbraw/zinc/79/92/66/1225799266.db2.gz SRXLNAASDDLJIS-OAHLLOKOSA-N 1 2 342.374 2.307 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)c(C)o1 ZINC001015896048 1225799871 /nfs/dbraw/zinc/79/98/71/1225799871.db2.gz SRXLNAASDDLJIS-HNNXBMFYSA-N 1 2 342.374 2.307 20 30 EEEDLO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)c(C)o1 ZINC001015896048 1225799874 /nfs/dbraw/zinc/79/98/74/1225799874.db2.gz SRXLNAASDDLJIS-HNNXBMFYSA-N 1 2 342.374 2.307 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000965135912 1218919288 /nfs/dbraw/zinc/91/92/88/1218919288.db2.gz MCRLBBGIAGLGOW-MRXNPFEDSA-N 1 2 344.459 2.196 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccc3nccn3c2)C1 ZINC001015972294 1225908872 /nfs/dbraw/zinc/90/88/72/1225908872.db2.gz IVRWLUYELCETRC-GOSISDBHSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc3nccn3c2)C1 ZINC001015972294 1225908875 /nfs/dbraw/zinc/90/88/75/1225908875.db2.gz IVRWLUYELCETRC-GOSISDBHSA-N 1 2 345.406 2.210 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(N(C)C)nc2)C1 ZINC000967115127 1220285225 /nfs/dbraw/zinc/28/52/25/1220285225.db2.gz DCJJMZHUZPTVCH-WFASDCNBSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(N(C)C)nc2)C1 ZINC000967115127 1220285230 /nfs/dbraw/zinc/28/52/30/1220285230.db2.gz DCJJMZHUZPTVCH-WFASDCNBSA-N 1 2 336.867 2.340 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccnc3c2ncn3C)C1 ZINC000968320933 1221207006 /nfs/dbraw/zinc/20/70/06/1221207006.db2.gz BLALAQREOJJRBV-SMDDNHRTSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccnc3c2ncn3C)C1 ZINC000968320933 1221207008 /nfs/dbraw/zinc/20/70/08/1221207008.db2.gz BLALAQREOJJRBV-SMDDNHRTSA-N 1 2 347.850 2.161 20 30 EEEDLO C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000968505101 1221360276 /nfs/dbraw/zinc/36/02/76/1221360276.db2.gz MNFQPHNMYRRBNZ-CJNGLKHVSA-N 1 2 325.416 2.098 20 30 EEEDLO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000968505101 1221360279 /nfs/dbraw/zinc/36/02/79/1221360279.db2.gz MNFQPHNMYRRBNZ-CJNGLKHVSA-N 1 2 325.416 2.098 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc3nnn(C)c32)C1 ZINC000968712587 1221509051 /nfs/dbraw/zinc/50/90/51/1221509051.db2.gz ACGBNTDQQJMMIU-NHYWBVRUSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc3nnn(C)c32)C1 ZINC000968712587 1221509055 /nfs/dbraw/zinc/50/90/55/1221509055.db2.gz ACGBNTDQQJMMIU-NHYWBVRUSA-N 1 2 347.850 2.161 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001006834729 1221967788 /nfs/dbraw/zinc/96/77/88/1221967788.db2.gz VDZCZDSUDNVNQG-TZMCWYRMSA-N 1 2 344.459 2.005 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)ncn1 ZINC001007136955 1222107294 /nfs/dbraw/zinc/10/72/94/1222107294.db2.gz GYLOUOMGWYNXQO-CYBMUJFWSA-N 1 2 341.440 2.113 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)ncn1 ZINC001007136955 1222107296 /nfs/dbraw/zinc/10/72/96/1222107296.db2.gz GYLOUOMGWYNXQO-CYBMUJFWSA-N 1 2 341.440 2.113 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCOCC2)C1 ZINC001007242543 1222143710 /nfs/dbraw/zinc/14/37/10/1222143710.db2.gz LGVZAYDPDJFDEI-APWZRJJASA-N 1 2 341.455 2.456 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCOCC2)C1 ZINC001007242543 1222143712 /nfs/dbraw/zinc/14/37/12/1222143712.db2.gz LGVZAYDPDJFDEI-APWZRJJASA-N 1 2 341.455 2.456 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)c(C)nn1 ZINC001007410368 1222212710 /nfs/dbraw/zinc/21/27/10/1222212710.db2.gz DEPQFHBKGQPPPK-GOSISDBHSA-N 1 2 349.438 2.360 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)c(C)nn1 ZINC001007410368 1222212713 /nfs/dbraw/zinc/21/27/13/1222212713.db2.gz DEPQFHBKGQPPPK-GOSISDBHSA-N 1 2 349.438 2.360 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1cncnc1C1CC1 ZINC001016144569 1226127972 /nfs/dbraw/zinc/12/79/72/1226127972.db2.gz ICNQVRSZZURYRP-SFHVURJKSA-N 1 2 346.434 2.210 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1cncnc1C1CC1 ZINC001016144569 1226127976 /nfs/dbraw/zinc/12/79/76/1226127976.db2.gz ICNQVRSZZURYRP-SFHVURJKSA-N 1 2 346.434 2.210 20 30 EEEDLO C[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CCOC1 ZINC001008987542 1223104773 /nfs/dbraw/zinc/10/47/73/1223104773.db2.gz VRLZYDRAEUWQDZ-LPHOPBHVSA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CCOC1 ZINC001008987542 1223104775 /nfs/dbraw/zinc/10/47/75/1223104775.db2.gz VRLZYDRAEUWQDZ-LPHOPBHVSA-N 1 2 345.418 2.205 20 30 EEEDLO C[C@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CCOC1 ZINC001009003130 1223109592 /nfs/dbraw/zinc/10/95/92/1223109592.db2.gz LBLFYYLQXFTSBM-MJGOQNOKSA-N 1 2 327.428 2.065 20 30 EEEDLO C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CCOC1 ZINC001009003130 1223109594 /nfs/dbraw/zinc/10/95/94/1223109594.db2.gz LBLFYYLQXFTSBM-MJGOQNOKSA-N 1 2 327.428 2.065 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001009060479 1223127816 /nfs/dbraw/zinc/12/78/16/1223127816.db2.gz VIXBDZNEZKPLTP-KRWDZBQOSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1cnoc1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001009060479 1223127818 /nfs/dbraw/zinc/12/78/18/1223127818.db2.gz VIXBDZNEZKPLTP-KRWDZBQOSA-N 1 2 341.386 2.368 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(NC(N)=O)cc2)C1 ZINC001009418152 1223240428 /nfs/dbraw/zinc/24/04/28/1223240428.db2.gz MLDZTCWTJVGBEB-AWEZNQCLSA-N 1 2 336.823 2.124 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(NC(N)=O)cc2)C1 ZINC001009418152 1223240431 /nfs/dbraw/zinc/24/04/31/1223240431.db2.gz MLDZTCWTJVGBEB-AWEZNQCLSA-N 1 2 336.823 2.124 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)on1 ZINC001010150571 1223576023 /nfs/dbraw/zinc/57/60/23/1223576023.db2.gz FTMXIOJTNCVUCO-INIZCTEOSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)on1 ZINC001010150571 1223576025 /nfs/dbraw/zinc/57/60/25/1223576025.db2.gz FTMXIOJTNCVUCO-INIZCTEOSA-N 1 2 343.814 2.492 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)n1C ZINC001010166472 1223584105 /nfs/dbraw/zinc/58/41/05/1223584105.db2.gz KEEUVPFXIRKZSI-GOSISDBHSA-N 1 2 339.414 2.328 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)n1C ZINC001010166472 1223584108 /nfs/dbraw/zinc/58/41/08/1223584108.db2.gz KEEUVPFXIRKZSI-GOSISDBHSA-N 1 2 339.414 2.328 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)cn1 ZINC001010173834 1223587714 /nfs/dbraw/zinc/58/77/14/1223587714.db2.gz COUAWOMEVBKVCW-QGZVFWFLSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)cn1 ZINC001010173834 1223587718 /nfs/dbraw/zinc/58/77/18/1223587718.db2.gz COUAWOMEVBKVCW-QGZVFWFLSA-N 1 2 338.386 2.405 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)c1cnsn1 ZINC001010330930 1223665471 /nfs/dbraw/zinc/66/54/71/1223665471.db2.gz QHXBCCWLUOFHPH-AWEZNQCLSA-N 1 2 346.843 2.047 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)c1cnsn1 ZINC001010330930 1223665472 /nfs/dbraw/zinc/66/54/72/1223665472.db2.gz QHXBCCWLUOFHPH-AWEZNQCLSA-N 1 2 346.843 2.047 20 30 EEEDLO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1)n1cccc1 ZINC001010564503 1223785032 /nfs/dbraw/zinc/78/50/32/1223785032.db2.gz DQCCIRBLKBUANL-PBHICJAKSA-N 1 2 340.402 2.451 20 30 EEEDLO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1)n1cccc1 ZINC001010564503 1223785035 /nfs/dbraw/zinc/78/50/35/1223785035.db2.gz DQCCIRBLKBUANL-PBHICJAKSA-N 1 2 340.402 2.451 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCCN(c3nc(C)[nH+]c(C)c3C)C2)c1 ZINC001058239798 1248739499 /nfs/dbraw/zinc/73/94/99/1248739499.db2.gz XURUBKWKNJWROE-SFHVURJKSA-N 1 2 349.438 2.177 20 30 EEEDLO CN(C)c1ccnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC001016380396 1226416113 /nfs/dbraw/zinc/41/61/13/1226416113.db2.gz CZJMURVHMYZYNX-QGZVFWFLSA-N 1 2 349.438 2.024 20 30 EEEDLO CN(C)c1ccnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001016380396 1226416116 /nfs/dbraw/zinc/41/61/16/1226416116.db2.gz CZJMURVHMYZYNX-QGZVFWFLSA-N 1 2 349.438 2.024 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(NC(=O)Cc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001014440509 1226620515 /nfs/dbraw/zinc/62/05/15/1226620515.db2.gz ZHSIUTXFLZEODO-ZMYBRWDISA-N 1 2 344.459 2.194 20 30 EEEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)N(C)c2ccccc2)cc1 ZINC000113249068 1226726426 /nfs/dbraw/zinc/72/64/26/1226726426.db2.gz IAIJQEJIXCWTSZ-ZDUSSCGKSA-N 1 2 327.384 2.384 20 30 EEEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)Nc2cccc(F)c2)cc1 ZINC000113248997 1226726979 /nfs/dbraw/zinc/72/69/79/1226726979.db2.gz CMTJOXBJAAKFCW-LLVKDONJSA-N 1 2 331.347 2.498 20 30 EEEDLO C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1Nc1ccc(C#N)nc1 ZINC001067168408 1226784296 /nfs/dbraw/zinc/78/42/96/1226784296.db2.gz JZGDOUYXYQBSLR-CJNGLKHVSA-N 1 2 346.394 2.174 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC23CC[NH+](Cc2ncnn2CC)CC3)C1 ZINC001016812667 1226897346 /nfs/dbraw/zinc/89/73/46/1226897346.db2.gz QNKMLFWUIYGOEW-OAHLLOKOSA-N 1 2 343.475 2.125 20 30 EEEDLO C[C@H](c1csnn1)[N@H+](C)C[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001017127162 1227150410 /nfs/dbraw/zinc/15/04/10/1227150410.db2.gz LODWJRBDMCABIT-UKRRQHHQSA-N 1 2 332.473 2.183 20 30 EEEDLO C[C@H](c1csnn1)[N@@H+](C)C[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001017127162 1227150413 /nfs/dbraw/zinc/15/04/13/1227150413.db2.gz LODWJRBDMCABIT-UKRRQHHQSA-N 1 2 332.473 2.183 20 30 EEEDLO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C#N)c1 ZINC001017489946 1227462554 /nfs/dbraw/zinc/46/25/54/1227462554.db2.gz UJURMMGEMAMREW-GASCZTMLSA-N 1 2 341.440 2.140 20 30 EEEDLO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C#N)c1 ZINC001017489946 1227462562 /nfs/dbraw/zinc/46/25/62/1227462562.db2.gz UJURMMGEMAMREW-GASCZTMLSA-N 1 2 341.440 2.140 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC001017719414 1227672989 /nfs/dbraw/zinc/67/29/89/1227672989.db2.gz ZJYQHQGDHBQNJX-CALCHBBNSA-N 1 2 334.423 2.389 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC001017719414 1227672992 /nfs/dbraw/zinc/67/29/92/1227672992.db2.gz ZJYQHQGDHBQNJX-CALCHBBNSA-N 1 2 334.423 2.389 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCOc2c(F)cccc21 ZINC001017720665 1227673520 /nfs/dbraw/zinc/67/35/20/1227673520.db2.gz LDHBTJUPJNGSOR-LZWOXQAQSA-N 1 2 328.387 2.000 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCOc2c(F)cccc21 ZINC001017720665 1227673527 /nfs/dbraw/zinc/67/35/27/1227673527.db2.gz LDHBTJUPJNGSOR-LZWOXQAQSA-N 1 2 328.387 2.000 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C4CC4)o3)C2)CC1 ZINC001019331349 1228997513 /nfs/dbraw/zinc/99/75/13/1228997513.db2.gz VADJLYICPHMGLD-HNNXBMFYSA-N 1 2 330.432 2.384 20 30 EEEDLO CC(C)c1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001038176145 1229678389 /nfs/dbraw/zinc/67/83/89/1229678389.db2.gz XQURKZRUVHXTSL-KRWDZBQOSA-N 1 2 337.427 2.409 20 30 EEEDLO CC(C)c1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001038176145 1229678392 /nfs/dbraw/zinc/67/83/92/1229678392.db2.gz XQURKZRUVHXTSL-KRWDZBQOSA-N 1 2 337.427 2.409 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc3nonc3c2)cc1 ZINC001038659658 1229956929 /nfs/dbraw/zinc/95/69/29/1229956929.db2.gz WMHAWSXSUQMCQZ-MRXNPFEDSA-N 1 2 347.378 2.099 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc3nonc3c2)cc1 ZINC001038659658 1229956933 /nfs/dbraw/zinc/95/69/33/1229956933.db2.gz WMHAWSXSUQMCQZ-MRXNPFEDSA-N 1 2 347.378 2.099 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc3nonc3c2)c1 ZINC001038659964 1229957475 /nfs/dbraw/zinc/95/74/75/1229957475.db2.gz YTFSAARURJSLSA-INIZCTEOSA-N 1 2 347.378 2.099 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc3nonc3c2)c1 ZINC001038659964 1229957477 /nfs/dbraw/zinc/95/74/77/1229957477.db2.gz YTFSAARURJSLSA-INIZCTEOSA-N 1 2 347.378 2.099 20 30 EEEDLO CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC001038716513 1229993723 /nfs/dbraw/zinc/99/37/23/1229993723.db2.gz NXYLVLBRSANLME-HYVNUMGLSA-N 1 2 327.428 2.303 20 30 EEEDLO CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1OC ZINC001038716513 1229993725 /nfs/dbraw/zinc/99/37/25/1229993725.db2.gz NXYLVLBRSANLME-HYVNUMGLSA-N 1 2 327.428 2.303 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1conc1CC ZINC001038799751 1230065425 /nfs/dbraw/zinc/06/54/25/1230065425.db2.gz MVSYFHGUDQJMOX-BQFCYCMXSA-N 1 2 347.459 2.299 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1conc1CC ZINC001038799751 1230065429 /nfs/dbraw/zinc/06/54/29/1230065429.db2.gz MVSYFHGUDQJMOX-BQFCYCMXSA-N 1 2 347.459 2.299 20 30 EEEDLO N#CCOc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2nccs2)cc1 ZINC001038843943 1230103915 /nfs/dbraw/zinc/10/39/15/1230103915.db2.gz CNWDZGYLHXBQLR-CQSZACIVSA-N 1 2 342.424 2.050 20 30 EEEDLO N#CCOc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2nccs2)cc1 ZINC001038843943 1230103918 /nfs/dbraw/zinc/10/39/18/1230103918.db2.gz CNWDZGYLHXBQLR-CQSZACIVSA-N 1 2 342.424 2.050 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ncoc2C2CC2)c1 ZINC001038882080 1230132077 /nfs/dbraw/zinc/13/20/77/1230132077.db2.gz MZAQRCDUSQYTHB-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ncoc2C2CC2)c1 ZINC001038882080 1230132078 /nfs/dbraw/zinc/13/20/78/1230132078.db2.gz MZAQRCDUSQYTHB-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO N#CCN1CC[C@@H](C2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001039137878 1230351517 /nfs/dbraw/zinc/35/15/17/1230351517.db2.gz SZVGYCBBPHENDM-OAHLLOKOSA-N 1 2 337.427 2.261 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2ncccc12 ZINC001039386011 1230570542 /nfs/dbraw/zinc/57/05/42/1230570542.db2.gz SLHLHCFGAOIWLR-KGLIPLIRSA-N 1 2 345.834 2.161 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2ncccc12 ZINC001039386011 1230570546 /nfs/dbraw/zinc/57/05/46/1230570546.db2.gz SLHLHCFGAOIWLR-KGLIPLIRSA-N 1 2 345.834 2.161 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(C)CCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001067299623 1230666727 /nfs/dbraw/zinc/66/67/27/1230666727.db2.gz CFBMLRQMQZETIF-HNNXBMFYSA-N 1 2 334.464 2.252 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1CCCN(C)C1=O ZINC001039822650 1230835438 /nfs/dbraw/zinc/83/54/38/1230835438.db2.gz HKYMUJJZWRVDOG-IXDOHACOSA-N 1 2 347.503 2.275 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1CCCN(C)C1=O ZINC001039822650 1230835444 /nfs/dbraw/zinc/83/54/44/1230835444.db2.gz HKYMUJJZWRVDOG-IXDOHACOSA-N 1 2 347.503 2.275 20 30 EEEDLO CC(C)c1nnc(C[N@@H+]2CC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)o1 ZINC001041274001 1231491300 /nfs/dbraw/zinc/49/13/00/1231491300.db2.gz RWYUWMOLXUGKCD-LJQANCHMSA-N 1 2 342.443 2.031 20 30 EEEDLO CC(C)c1nnc(C[N@H+]2CC[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)o1 ZINC001041274001 1231491304 /nfs/dbraw/zinc/49/13/04/1231491304.db2.gz RWYUWMOLXUGKCD-LJQANCHMSA-N 1 2 342.443 2.031 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(CC[N@H+](Cc3nc(C)no3)C2)C1 ZINC001041626077 1231629446 /nfs/dbraw/zinc/62/94/46/1231629446.db2.gz PCRXVDUKAKRKOZ-QZTJIDSGSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3nc(C)no3)C2)C1 ZINC001041626077 1231629447 /nfs/dbraw/zinc/62/94/47/1231629447.db2.gz PCRXVDUKAKRKOZ-QZTJIDSGSA-N 1 2 332.448 2.405 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3cnn(CC)n3)[C@@H]2C1 ZINC001042185501 1231944306 /nfs/dbraw/zinc/94/43/06/1231944306.db2.gz TXHAGDHKTKXEED-NVXWUHKLSA-N 1 2 345.491 2.323 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3cnn(CC)n3)[C@@H]2C1 ZINC001042185501 1231944308 /nfs/dbraw/zinc/94/43/08/1231944308.db2.gz TXHAGDHKTKXEED-NVXWUHKLSA-N 1 2 345.491 2.323 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4ncccn4)[C@@H]3C2)C1 ZINC001042225077 1231967988 /nfs/dbraw/zinc/96/79/88/1231967988.db2.gz VKEAKDDJNCQTAN-HZPDHXFCSA-N 1 2 326.444 2.256 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ncccn4)[C@@H]3C2)C1 ZINC001042225077 1231967990 /nfs/dbraw/zinc/96/79/90/1231967990.db2.gz VKEAKDDJNCQTAN-HZPDHXFCSA-N 1 2 326.444 2.256 20 30 EEEDLO C#Cc1ccccc1CC(=O)N(C)C1C[NH+](CCc2ccns2)C1 ZINC001044233315 1232805260 /nfs/dbraw/zinc/80/52/60/1232805260.db2.gz XICSLBQDOQAJFH-UHFFFAOYSA-N 1 2 339.464 2.052 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001045185686 1233565563 /nfs/dbraw/zinc/56/55/63/1233565563.db2.gz ISLGCXQUBXFULM-KBXCAEBGSA-N 1 2 348.495 2.111 20 30 EEEDLO CC1(NC(=O)c2ccc(C#N)[nH]2)CC[NH+](Cc2nccs2)CC1 ZINC001045410368 1233727700 /nfs/dbraw/zinc/72/77/00/1233727700.db2.gz QSQSKEYMKIAUIV-UHFFFAOYSA-N 1 2 329.429 2.127 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ncnn2C)CC1 ZINC001045840510 1234056131 /nfs/dbraw/zinc/05/61/31/1234056131.db2.gz YCYDRICIFSKSPX-SJORKVTESA-N 1 2 343.475 2.127 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2ncnn2C)CC1 ZINC001045840510 1234056134 /nfs/dbraw/zinc/05/61/34/1234056134.db2.gz YCYDRICIFSKSPX-SJORKVTESA-N 1 2 343.475 2.127 20 30 EEEDLO C[C@]1(NC(=O)C2=COCCC2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046180785 1234521405 /nfs/dbraw/zinc/52/14/05/1234521405.db2.gz AJCZPLNVNCJLKW-IBGZPJMESA-N 1 2 343.402 2.472 20 30 EEEDLO C[C@]1(NC(=O)C2=COCCC2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046180785 1234521406 /nfs/dbraw/zinc/52/14/06/1234521406.db2.gz AJCZPLNVNCJLKW-IBGZPJMESA-N 1 2 343.402 2.472 20 30 EEEDLO C=C(C)CCC(=O)NC[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001054912670 1249366178 /nfs/dbraw/zinc/36/61/78/1249366178.db2.gz VVCOGFIOUBNJRZ-WKILWMFISA-N 1 2 346.475 2.347 20 30 EEEDLO Cc1n[nH]c(C(=O)N[C@@]2(C)CC[N@H+](Cc3cccc(C#N)c3)C2)c1C ZINC001046200795 1234547255 /nfs/dbraw/zinc/54/72/55/1234547255.db2.gz TYUANLJROJNHLJ-IBGZPJMESA-N 1 2 337.427 2.293 20 30 EEEDLO Cc1n[nH]c(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cccc(C#N)c3)C2)c1C ZINC001046200795 1234547256 /nfs/dbraw/zinc/54/72/56/1234547256.db2.gz TYUANLJROJNHLJ-IBGZPJMESA-N 1 2 337.427 2.293 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(CCCc3ccccc3)n2CC=C)CC1 ZINC000800777265 1234556566 /nfs/dbraw/zinc/55/65/66/1234556566.db2.gz JLQCIFGQRYXPGP-UHFFFAOYSA-N 1 2 349.482 2.395 20 30 EEEDLO Cc1ncoc1C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046215646 1234564692 /nfs/dbraw/zinc/56/46/92/1234564692.db2.gz FSZDDJBDAHWNFU-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ncoc1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001046215646 1234564696 /nfs/dbraw/zinc/56/46/96/1234564696.db2.gz FSZDDJBDAHWNFU-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@H+](CC=C(Cl)Cl)C1 ZINC001046253138 1234597109 /nfs/dbraw/zinc/59/71/09/1234597109.db2.gz QGSRBOCTBNAUKY-AWEZNQCLSA-N 1 2 327.215 2.400 20 30 EEEDLO C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001046253138 1234597114 /nfs/dbraw/zinc/59/71/14/1234597114.db2.gz QGSRBOCTBNAUKY-AWEZNQCLSA-N 1 2 327.215 2.400 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001046449193 1234816256 /nfs/dbraw/zinc/81/62/56/1234816256.db2.gz ZCNWNPHPFIWHOB-MRXNPFEDSA-N 1 2 339.823 2.046 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001046449193 1234816257 /nfs/dbraw/zinc/81/62/57/1234816257.db2.gz ZCNWNPHPFIWHOB-MRXNPFEDSA-N 1 2 339.823 2.046 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)c3nnc(C)o3)C2)cc1 ZINC001046533716 1234915390 /nfs/dbraw/zinc/91/53/90/1234915390.db2.gz VHEHLHPJUXPLJK-ORAYPTAESA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)c3nnc(C)o3)C2)cc1 ZINC001046533716 1234915392 /nfs/dbraw/zinc/91/53/92/1234915392.db2.gz VHEHLHPJUXPLJK-ORAYPTAESA-N 1 2 338.411 2.315 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2nn(C)c(C)c2Cl)C1 ZINC001046661402 1235045963 /nfs/dbraw/zinc/04/59/63/1235045963.db2.gz HTUBXNDBBQIVGI-AWEZNQCLSA-N 1 2 331.247 2.329 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2nn(C)c(C)c2Cl)C1 ZINC001046661402 1235045968 /nfs/dbraw/zinc/04/59/68/1235045968.db2.gz HTUBXNDBBQIVGI-AWEZNQCLSA-N 1 2 331.247 2.329 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N(C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001096121419 1235066682 /nfs/dbraw/zinc/06/66/82/1235066682.db2.gz JQEHFKHBRPHCKS-LJQANCHMSA-N 1 2 346.475 2.441 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001046742903 1235136661 /nfs/dbraw/zinc/13/66/61/1235136661.db2.gz VNVCESCGQLFCFG-QGZVFWFLSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001046742903 1235136663 /nfs/dbraw/zinc/13/66/63/1235136663.db2.gz VNVCESCGQLFCFG-QGZVFWFLSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cccc(NC(N)=O)c2)C1 ZINC001046829771 1235225871 /nfs/dbraw/zinc/22/58/71/1235225871.db2.gz YCHGHBIGAKKOSV-INIZCTEOSA-N 1 2 336.823 2.124 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc(NC(N)=O)c2)C1 ZINC001046829771 1235225873 /nfs/dbraw/zinc/22/58/73/1235225873.db2.gz YCHGHBIGAKKOSV-INIZCTEOSA-N 1 2 336.823 2.124 20 30 EEEDLO N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)nc1 ZINC001047075025 1235477756 /nfs/dbraw/zinc/47/77/56/1235477756.db2.gz VAIRKTMDSUYEAR-CTYIDZIISA-N 1 2 346.394 2.450 20 30 EEEDLO CN(C(=O)C1(C)CCCC1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047476880 1236078293 /nfs/dbraw/zinc/07/82/93/1236078293.db2.gz SAUCCMOMMJUBPP-OALUTQOASA-N 1 2 340.467 2.122 20 30 EEEDLO CN(C(=O)C1(C)CCCC1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047476880 1236078299 /nfs/dbraw/zinc/07/82/99/1236078299.db2.gz SAUCCMOMMJUBPP-OALUTQOASA-N 1 2 340.467 2.122 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001054971889 1249494506 /nfs/dbraw/zinc/49/45/06/1249494506.db2.gz VTWTYIODCGAPLV-GXTWGEPZSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001047555386 1236193934 /nfs/dbraw/zinc/19/39/34/1236193934.db2.gz JMXCCJSNWNTGHF-XHSDSOJGSA-N 1 2 344.459 2.113 20 30 EEEDLO CCC(C)(C)CC(=O)NCC[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC001096288766 1237132999 /nfs/dbraw/zinc/13/29/99/1237132999.db2.gz XIJKDIGODDGSJG-UHFFFAOYSA-N 1 2 343.475 2.018 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001096293342 1237191652 /nfs/dbraw/zinc/19/16/52/1237191652.db2.gz HHMIAIAKYAXEGV-IKGGRYGDSA-N 1 2 336.395 2.390 20 30 EEEDLO Cc1conc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001096293342 1237191654 /nfs/dbraw/zinc/19/16/54/1237191654.db2.gz HHMIAIAKYAXEGV-IKGGRYGDSA-N 1 2 336.395 2.390 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2CCc2ccccc2)CC1 ZINC000802296546 1237226244 /nfs/dbraw/zinc/22/62/44/1237226244.db2.gz FYMLKLNFQPXEOE-UHFFFAOYSA-N 1 2 349.482 2.229 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nocc1C ZINC001096436435 1239134068 /nfs/dbraw/zinc/13/40/68/1239134068.db2.gz IIUXVWXPFPRCPJ-HBFSDRIKSA-N 1 2 349.434 2.429 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nocc1C ZINC001096436435 1239134081 /nfs/dbraw/zinc/13/40/81/1239134081.db2.gz IIUXVWXPFPRCPJ-HBFSDRIKSA-N 1 2 349.434 2.429 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001056447107 1239385663 /nfs/dbraw/zinc/38/56/63/1239385663.db2.gz XWCYLBWFWIKYQU-IRXDYDNUSA-N 1 2 344.459 2.291 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001056447107 1239385666 /nfs/dbraw/zinc/38/56/66/1239385666.db2.gz XWCYLBWFWIKYQU-IRXDYDNUSA-N 1 2 344.459 2.291 20 30 EEEDLO C=C[C@H](CC)CC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056520313 1239427680 /nfs/dbraw/zinc/42/76/80/1239427680.db2.gz DUWMCIQEIIFCBJ-PVAVHDDUSA-N 1 2 344.459 2.146 20 30 EEEDLO C=CCCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001056536388 1239433830 /nfs/dbraw/zinc/43/38/30/1239433830.db2.gz ZFWOAOSEFGTGOJ-IAGOWNOFSA-N 1 2 344.459 2.209 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1C[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001056707485 1239696302 /nfs/dbraw/zinc/69/63/02/1239696302.db2.gz 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CC[N@@H+](Cc1nonc1C)[C@H](C)CNC(=O)CC#Cc1ccccc1 ZINC001157074943 1318386815 /nfs/dbraw/zinc/38/68/15/1318386815.db2.gz LBNLCWXRJLHGJF-OAHLLOKOSA-N 1 2 340.427 2.146 20 30 EEEDLO O=C1C=C2C[N@H+](C3CCN(Cc4ccncc4)CC3)CCC2S1 ZINC001256590341 1318792480 /nfs/dbraw/zinc/79/24/80/1318792480.db2.gz USBFZKVMKMIFOY-KRWDZBQOSA-N 1 2 329.469 2.320 20 30 EEEDLO O=C1C=C2C[N@@H+](C3CCN(Cc4ccncc4)CC3)CCC2S1 ZINC001256590341 1318792489 /nfs/dbraw/zinc/79/24/89/1318792489.db2.gz USBFZKVMKMIFOY-KRWDZBQOSA-N 1 2 329.469 2.320 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC001157876340 1318913057 /nfs/dbraw/zinc/91/30/57/1318913057.db2.gz LZHBUAXPINIYEZ-VQIMIIECSA-N 1 2 349.475 2.431 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC001157876340 1318913058 /nfs/dbraw/zinc/91/30/58/1318913058.db2.gz LZHBUAXPINIYEZ-VQIMIIECSA-N 1 2 349.475 2.431 20 30 EEEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258517721 1319283646 /nfs/dbraw/zinc/28/36/46/1319283646.db2.gz IVCKYFWBFIQKOU-ZDUSSCGKSA-N 1 2 331.478 2.149 20 30 EEEDLO Cc1ccc([C@@H](C#N)c2ccc(NC[C@H]3COCC[N@H+]3C)nn2)cc1 ZINC001158700867 1319384635 /nfs/dbraw/zinc/38/46/35/1319384635.db2.gz SHMRQFHADRAYMZ-DLBZAZTESA-N 1 2 337.427 2.183 20 30 EEEDLO Cc1ccc([C@@H](C#N)c2ccc(NC[C@H]3COCC[N@@H+]3C)nn2)cc1 ZINC001158700867 1319384644 /nfs/dbraw/zinc/38/46/44/1319384644.db2.gz SHMRQFHADRAYMZ-DLBZAZTESA-N 1 2 337.427 2.183 20 30 EEEDLO CCN(CCn1cc[nH+]c1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259111859 1319445709 /nfs/dbraw/zinc/44/57/09/1319445709.db2.gz YWJQMDMHNGJKHZ-UHFFFAOYSA-N 1 2 338.820 2.119 20 30 EEEDLO N#Cc1cccc(S(=O)(=O)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC001259123090 1319449640 /nfs/dbraw/zinc/44/96/40/1319449640.db2.gz NVIJSGMORHVKSP-MRXNPFEDSA-N 1 2 343.408 2.185 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NCCC[NH2+]Cc1noc(C(C)C)n1)OCC ZINC001159143409 1319638605 /nfs/dbraw/zinc/63/86/05/1319638605.db2.gz OZYFCGVZVOBELX-CQSZACIVSA-N 1 2 338.452 2.160 20 30 EEEDLO CC(C)CS(=O)(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001259888278 1319724481 /nfs/dbraw/zinc/72/44/81/1319724481.db2.gz FHALMXANCFBBBS-UHFFFAOYSA-N 1 2 335.473 2.120 20 30 EEEDLO CCOC(=O)n1nc2c(c1Nc1ncccc1C#N)C[NH2+]C2(C)C ZINC001159654595 1319935817 /nfs/dbraw/zinc/93/58/17/1319935817.db2.gz FPGCZGQJHITCTL-UHFFFAOYSA-N 1 2 326.360 2.236 20 30 EEEDLO C#CCCCCC(=O)NCCC1=CC[N@H+](Cc2nnc(C)o2)CC1 ZINC001159880522 1320011880 /nfs/dbraw/zinc/01/18/80/1320011880.db2.gz IJNQHYKIGQLJGE-UHFFFAOYSA-N 1 2 330.432 2.210 20 30 EEEDLO C#CCCCCC(=O)NCCC1=CC[N@@H+](Cc2nnc(C)o2)CC1 ZINC001159880522 1320011883 /nfs/dbraw/zinc/01/18/83/1320011883.db2.gz IJNQHYKIGQLJGE-UHFFFAOYSA-N 1 2 330.432 2.210 20 30 EEEDLO N#CCc1cc[nH+]c(N2CC[C@@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)c1 ZINC001166269737 1321689989 /nfs/dbraw/zinc/68/99/89/1321689989.db2.gz NXPKHQHRTRBDGQ-YLJYHZDGSA-N 1 2 347.422 2.075 20 30 EEEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)CC(=C)C ZINC001262939598 1322399438 /nfs/dbraw/zinc/39/94/38/1322399438.db2.gz KSVUEGJSAIOSJP-CVEARBPZSA-N 1 2 331.464 2.402 20 30 EEEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)CC(=C)C ZINC001262939598 1322399443 /nfs/dbraw/zinc/39/94/43/1322399443.db2.gz KSVUEGJSAIOSJP-CVEARBPZSA-N 1 2 331.464 2.402 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(Cc3csc(C)c3)n2CC)CC1 ZINC001263037546 1322425649 /nfs/dbraw/zinc/42/56/49/1322425649.db2.gz CROFXFPWMRXMJU-UHFFFAOYSA-N 1 2 329.473 2.014 20 30 EEEDLO N#Cc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C2CCCC2)c(O)c1 ZINC001276494726 1323609414 /nfs/dbraw/zinc/60/94/14/1323609414.db2.gz YDOWQAYVKBYROC-MJGOQNOKSA-N 1 2 327.428 2.091 20 30 EEEDLO N#Cc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C2CCCC2)c(O)c1 ZINC001276494726 1323609419 /nfs/dbraw/zinc/60/94/19/1323609419.db2.gz YDOWQAYVKBYROC-MJGOQNOKSA-N 1 2 327.428 2.091 20 30 EEEDLO CC[C@@H](C)OCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206878618 1323658699 /nfs/dbraw/zinc/65/86/99/1323658699.db2.gz USKAJUHCGXKUSA-HBUWYVDXSA-N 1 2 347.434 2.449 20 30 EEEDLO CC[C@@H](C)OCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC001206878618 1323658706 /nfs/dbraw/zinc/65/87/06/1323658706.db2.gz USKAJUHCGXKUSA-HBUWYVDXSA-N 1 2 347.434 2.449 20 30 EEEDLO CO[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C1CC1 ZINC001206926174 1323710702 /nfs/dbraw/zinc/71/07/02/1323710702.db2.gz ZLPVRCCOIAKPRS-NXOUGTEYSA-N 1 2 345.418 2.059 20 30 EEEDLO CO[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C)C1CC1 ZINC001206926174 1323710708 /nfs/dbraw/zinc/71/07/08/1323710708.db2.gz ZLPVRCCOIAKPRS-NXOUGTEYSA-N 1 2 345.418 2.059 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)cccc1C ZINC001316601553 1324097501 /nfs/dbraw/zinc/09/75/01/1324097501.db2.gz CUQPBKITMRUGOB-IRXDYDNUSA-N 1 2 343.471 2.140 20 30 EEEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)cccc1C ZINC001316601553 1324097508 /nfs/dbraw/zinc/09/75/08/1324097508.db2.gz CUQPBKITMRUGOB-IRXDYDNUSA-N 1 2 343.471 2.140 20 30 EEEDLO C#CCCCCC(=O)N1CCC[C@@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001207863860 1324188236 /nfs/dbraw/zinc/18/82/36/1324188236.db2.gz ZDWQQDTVYKZCCQ-MRXNPFEDSA-N 1 2 344.459 2.296 20 30 EEEDLO C#CCCCC(=O)N1CCC[C@H]([NH2+]Cc2nnc(C(F)F)s2)C1 ZINC001207951565 1324227929 /nfs/dbraw/zinc/22/79/29/1324227929.db2.gz VRASGLCOHCLQEJ-NSHDSACASA-N 1 2 342.415 2.360 20 30 EEEDLO N#Cc1cccc(CCC[NH+]2CCN(C(=O)C(F)(F)F)CC2)c1 ZINC001208844611 1324686350 /nfs/dbraw/zinc/68/63/50/1324686350.db2.gz KSKMFKSZUSGVGP-UHFFFAOYSA-N 1 2 325.334 2.197 20 30 EEEDLO Cc1cccc(-c2nnc([C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)C#N)o2)c1 ZINC001492217036 1331092846 /nfs/dbraw/zinc/09/28/46/1331092846.db2.gz IVUZQAVOSBRVTE-KGLIPLIRSA-N 1 2 341.415 2.314 20 30 EEEDLO Cc1cccc(-c2nnc([C@H](C)[N@H+](C)CCNC(=O)[C@H](C)C#N)o2)c1 ZINC001492217036 1331092850 /nfs/dbraw/zinc/09/28/50/1331092850.db2.gz IVUZQAVOSBRVTE-KGLIPLIRSA-N 1 2 341.415 2.314 20 30 EEEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)c2ccc(OC)cc2OC)CC1 ZINC001307427437 1331536624 /nfs/dbraw/zinc/53/66/24/1331536624.db2.gz OTXTYOUXLBNASJ-OAHLLOKOSA-N 1 2 330.428 2.264 20 30 EEEDLO C=C(C)CCC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001337131851 1336648958 /nfs/dbraw/zinc/64/89/58/1336648958.db2.gz FVOBRPFOKMEUQV-AWEZNQCLSA-N 1 2 325.453 2.010 20 30 EEEDLO C=C(C)CCC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001337131851 1336648959 /nfs/dbraw/zinc/64/89/59/1336648959.db2.gz FVOBRPFOKMEUQV-AWEZNQCLSA-N 1 2 325.453 2.010 20 30 EEEDLO CN(CC1=CCSC1)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001338925606 1336932993 /nfs/dbraw/zinc/93/29/93/1336932993.db2.gz RELHAUBKASJFFQ-UHFFFAOYSA-N 1 2 346.504 2.018 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCO[C@@](C)(CC)C1 ZINC001340421497 1337180410 /nfs/dbraw/zinc/18/04/10/1337180410.db2.gz IOMZOSXDOCLTPK-SFHVURJKSA-N 1 2 333.480 2.455 20 30 EEEDLO Cc1n[nH]c(C(=O)NCC2CC([NH2+]CC#Cc3ccccc3)C2)c1C ZINC001100199549 1338149603 /nfs/dbraw/zinc/14/96/03/1338149603.db2.gz OPVFAUSFJKPJPP-UHFFFAOYSA-N 1 2 336.439 2.176 20 30 EEEDLO C=CC[C@H]1CCCN(c2nnc(C[N@@H+]3CCC[C@H](O)C3)n2CC)C1 ZINC001356502383 1338827586 /nfs/dbraw/zinc/82/75/86/1338827586.db2.gz SCRWWACFRJREHE-HOTGVXAUSA-N 1 2 333.480 2.047 20 30 EEEDLO C=CC[C@H]1CCCN(c2nnc(C[N@H+]3CCC[C@H](O)C3)n2CC)C1 ZINC001356502383 1338827590 /nfs/dbraw/zinc/82/75/90/1338827590.db2.gz SCRWWACFRJREHE-HOTGVXAUSA-N 1 2 333.480 2.047 20 30 EEEDLO C=C(Br)C[NH2+][C@H]1C[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001436348430 1342044413 /nfs/dbraw/zinc/04/44/13/1342044413.db2.gz NHCJOKCEPPDYLW-HRDYMLBCSA-N 1 2 347.150 2.280 20 30 EEEDLO C=C(Br)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001436348430 1342044415 /nfs/dbraw/zinc/04/44/15/1342044415.db2.gz NHCJOKCEPPDYLW-HRDYMLBCSA-N 1 2 347.150 2.280 20 30 EEEDLO C=CC[N@H+](CC(=O)Nc1ccccc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001602850814 1350596069 /nfs/dbraw/zinc/59/60/69/1350596069.db2.gz UTSFBJIBJRXUIO-UHFFFAOYSA-N 1 2 348.410 2.493 20 30 EEEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001602850814 1350596075 /nfs/dbraw/zinc/59/60/75/1350596075.db2.gz UTSFBJIBJRXUIO-UHFFFAOYSA-N 1 2 348.410 2.493 20 30 EEEDLO Cc1cc(C)c(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c[nH+]1 ZINC001645838215 1352804271 /nfs/dbraw/zinc/80/42/71/1352804271.db2.gz SXBJHWSWNYZMJM-INIZCTEOSA-N 1 2 348.406 2.239 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H](C)CCCC)C2)nn1 ZINC001185932279 1368176762 /nfs/dbraw/zinc/17/67/62/1368176762.db2.gz FKYZTACCPVQPHT-WMZOPIPTSA-N 1 2 345.491 2.381 20 30 EEEDLO CC(=O)CCCC(=O)N1CC[C@@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001188877751 1368321991 /nfs/dbraw/zinc/32/19/91/1368321991.db2.gz IEHRPBBGUHQERH-LJQANCHMSA-N 1 2 344.430 2.469 20 30 EEEDLO CC(=O)CCCC(=O)N1CC[C@@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001188877751 1368321996 /nfs/dbraw/zinc/32/19/96/1368321996.db2.gz IEHRPBBGUHQERH-LJQANCHMSA-N 1 2 344.430 2.469 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c(OC(F)F)c1 ZINC000852435474 1369270954 /nfs/dbraw/zinc/27/09/54/1369270954.db2.gz PDGROEAZULQAKL-CYBMUJFWSA-N 1 2 337.326 2.186 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)c(OC(F)F)c1 ZINC000852435474 1369270965 /nfs/dbraw/zinc/27/09/65/1369270965.db2.gz PDGROEAZULQAKL-CYBMUJFWSA-N 1 2 337.326 2.186 20 30 EEEDLO C=CC[C@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1ccncc1 ZINC000853746938 1369374686 /nfs/dbraw/zinc/37/46/86/1369374686.db2.gz MKAGHSYOOWIQPC-INMHGKMJSA-N 1 2 332.448 2.107 20 30 EEEDLO C=CC[C@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1ccncc1 ZINC000853746938 1369374690 /nfs/dbraw/zinc/37/46/90/1369374690.db2.gz MKAGHSYOOWIQPC-INMHGKMJSA-N 1 2 332.448 2.107 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)cn1 ZINC001009279168 1370028804 /nfs/dbraw/zinc/02/88/04/1370028804.db2.gz XLIKWJFVQKFWCO-HXUWFJFHSA-N 1 2 344.418 2.329 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)cn1 ZINC001009279168 1370028806 /nfs/dbraw/zinc/02/88/06/1370028806.db2.gz XLIKWJFVQKFWCO-HXUWFJFHSA-N 1 2 344.418 2.329 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2cocn2)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001071388638 1370496265 /nfs/dbraw/zinc/49/62/65/1370496265.db2.gz JYLSJZCKUHUWFO-IUODEOHRSA-N 1 2 342.374 2.468 20 30 EEEDLO C[C@@H]1CC[C@@H](NC(=O)c2cocn2)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001071388638 1370496266 /nfs/dbraw/zinc/49/62/66/1370496266.db2.gz JYLSJZCKUHUWFO-IUODEOHRSA-N 1 2 342.374 2.468 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnc3nccnc3c2)CC[C@@H]1C ZINC001071576007 1370528050 /nfs/dbraw/zinc/52/80/50/1370528050.db2.gz ZUGUKEXXQRQORU-GXTWGEPZSA-N 1 2 345.834 2.360 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnc3nccnc3c2)CC[C@@H]1C ZINC001071576007 1370528053 /nfs/dbraw/zinc/52/80/53/1370528053.db2.gz ZUGUKEXXQRQORU-GXTWGEPZSA-N 1 2 345.834 2.360 20 30 EEEDLO O=C(C#CC1CC1)N1CC2(C1)CC[N@H+](Cc1nc3c(o1)CCCC3)C2 ZINC001072721228 1370776858 /nfs/dbraw/zinc/77/68/58/1370776858.db2.gz JMTVYQNBCFFAHB-UHFFFAOYSA-N 1 2 339.439 2.001 20 30 EEEDLO O=C(C#CC1CC1)N1CC2(C1)CC[N@@H+](Cc1nc3c(o1)CCCC3)C2 ZINC001072721228 1370776862 /nfs/dbraw/zinc/77/68/62/1370776862.db2.gz JMTVYQNBCFFAHB-UHFFFAOYSA-N 1 2 339.439 2.001 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001073103276 1370817696 /nfs/dbraw/zinc/81/76/96/1370817696.db2.gz XQUVOXZZXPPGBI-HNNXBMFYSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001073103276 1370817703 /nfs/dbraw/zinc/81/77/03/1370817703.db2.gz XQUVOXZZXPPGBI-HNNXBMFYSA-N 1 2 346.475 2.442 20 30 EEEDLO CCCCC(=O)NCCN1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001389409578 1388108103 /nfs/dbraw/zinc/10/81/03/1388108103.db2.gz CCXLIHRCBVONMO-UHFFFAOYSA-N 1 2 334.489 2.044 20 30 EEEDLO C=CCN(Cc1cccc(C#N)c1)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783972123 1371380134 /nfs/dbraw/zinc/38/01/34/1371380134.db2.gz CETUMTPDBFWIQS-GOSISDBHSA-N 1 2 349.438 2.253 20 30 EEEDLO Cc1ccc(C#N)c(N[C@H](C)CN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)n1 ZINC001115778966 1371709079 /nfs/dbraw/zinc/70/90/79/1371709079.db2.gz AZDGVNBMARKIMS-CYBMUJFWSA-N 1 2 340.431 2.221 20 30 EEEDLO Cc1cc(C)c(C(=O)N(C)C[C@@H](C)Nc2nccnc2C#N)c(C)[nH+]1 ZINC001120948563 1371844202 /nfs/dbraw/zinc/84/42/02/1371844202.db2.gz SESSKOXIMDSFJP-CYBMUJFWSA-N 1 2 338.415 2.241 20 30 EEEDLO CC(C)c1nc(C[NH2+]C2CC3(CC(NC(=O)C#CC4CC4)C3)C2)no1 ZINC001121077452 1371857390 /nfs/dbraw/zinc/85/73/90/1371857390.db2.gz RIWITELILRORPU-UHFFFAOYSA-N 1 2 342.443 2.123 20 30 EEEDLO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)c1 ZINC001139878167 1372532382 /nfs/dbraw/zinc/53/23/82/1372532382.db2.gz CKWJCTIDEPTVDZ-GOSISDBHSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1cc(F)cc(C[N@H+]2CCC[C@@H](NC(=O)C3CCOCC3)C2)c1 ZINC001139878167 1372532384 /nfs/dbraw/zinc/53/23/84/1372532384.db2.gz CKWJCTIDEPTVDZ-GOSISDBHSA-N 1 2 345.418 2.205 20 30 EEEDLO CS[C@@H](C)CC(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001366963078 1374071588 /nfs/dbraw/zinc/07/15/88/1374071588.db2.gz OKKHCGJKDNEFTE-LBPRGKRZSA-N 1 2 335.448 2.387 20 30 EEEDLO COCCC(C)(C)C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001366980354 1374074899 /nfs/dbraw/zinc/07/48/99/1374074899.db2.gz CYDIKVLASLEBTN-UHFFFAOYSA-N 1 2 329.444 2.169 20 30 EEEDLO CN(CC[N@H+](C)Cc1cc(F)ccc1F)C(=O)c1cc(C#N)c[nH]1 ZINC001367505796 1374189271 /nfs/dbraw/zinc/18/92/71/1374189271.db2.gz DRHYZNOEAKSLPN-UHFFFAOYSA-N 1 2 332.354 2.369 20 30 EEEDLO CN(CC[N@@H+](C)Cc1cc(F)ccc1F)C(=O)c1cc(C#N)c[nH]1 ZINC001367505796 1374189272 /nfs/dbraw/zinc/18/92/72/1374189272.db2.gz DRHYZNOEAKSLPN-UHFFFAOYSA-N 1 2 332.354 2.369 20 30 EEEDLO CC(C)c1ccc([C@H](C)[NH+]2CC(O)(CNC(=O)[C@@H](C)C#N)C2)cc1 ZINC001368292420 1374362779 /nfs/dbraw/zinc/36/27/79/1374362779.db2.gz YLBWHYJRFMCVIF-GJZGRUSLSA-N 1 2 329.444 2.194 20 30 EEEDLO CCCCc1noc([C@H](C)[NH2+][C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001371139254 1375253912 /nfs/dbraw/zinc/25/39/12/1375253912.db2.gz AWRPYFJACWTUKM-RYUDHWBXSA-N 1 2 344.419 2.081 20 30 EEEDLO CCc1cc(C(=O)NCC[N@H+](C)Cc2ccc(C#N)cc2F)no1 ZINC001372193100 1375843598 /nfs/dbraw/zinc/84/35/98/1375843598.db2.gz XRANJBGHJSPMSB-UHFFFAOYSA-N 1 2 330.363 2.110 20 30 EEEDLO CCc1cc(C(=O)NCC[N@@H+](C)Cc2ccc(C#N)cc2F)no1 ZINC001372193100 1375843602 /nfs/dbraw/zinc/84/36/02/1375843602.db2.gz XRANJBGHJSPMSB-UHFFFAOYSA-N 1 2 330.363 2.110 20 30 EEEDLO N#Cc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H](F)C(F)(F)F)C2)c1 ZINC001375527061 1377819071 /nfs/dbraw/zinc/81/90/71/1377819071.db2.gz BOAWZFVPKBPZMO-IHRRRGAJSA-N 1 2 343.324 2.443 20 30 EEEDLO N#Cc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)C(F)C(F)(F)F)C2)c1 ZINC001375527061 1377819069 /nfs/dbraw/zinc/81/90/69/1377819069.db2.gz BOAWZFVPKBPZMO-IHRRRGAJSA-N 1 2 343.324 2.443 20 30 EEEDLO CCc1ncoc1C(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001377214493 1379042064 /nfs/dbraw/zinc/04/20/64/1379042064.db2.gz KGZUCFRWIOQOLI-UHFFFAOYSA-N 1 2 330.363 2.110 20 30 EEEDLO CCc1ncoc1C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001377214493 1379042071 /nfs/dbraw/zinc/04/20/71/1379042071.db2.gz KGZUCFRWIOQOLI-UHFFFAOYSA-N 1 2 330.363 2.110 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCOC)C(C)(C)C1 ZINC001377315591 1379126902 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EEEDLO CCc1cc(C(=O)NCC[N@H+](C)Cc2cc(C#N)ccc2F)no1 ZINC001390844706 1388817428 /nfs/dbraw/zinc/81/74/28/1388817428.db2.gz BPCXMIVWQNZWDG-UHFFFAOYSA-N 1 2 330.363 2.110 20 30 EEEDLO CCc1cc(C(=O)NCC[N@@H+](C)Cc2cc(C#N)ccc2F)no1 ZINC001390844706 1388817433 /nfs/dbraw/zinc/81/74/33/1388817433.db2.gz BPCXMIVWQNZWDG-UHFFFAOYSA-N 1 2 330.363 2.110 20 30 EEEDLO C#CCO[C@H](C)C(=O)N(C)C1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001752299963 1406270398 /nfs/dbraw/zinc/27/03/98/1406270398.db2.gz QTIXUOJHWDTOSZ-CQSZACIVSA-N 1 2 345.443 2.013 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)Cc1[nH]nc2c1CCCC2)C1CC1 ZINC001391157905 1389083848 /nfs/dbraw/zinc/08/38/48/1389083848.db2.gz BCWDNIOFHKLZGP-UHFFFAOYSA-N 1 2 336.867 2.164 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)Cc1[nH]nc2c1CCCC2)C1CC1 ZINC001391157905 1389083854 /nfs/dbraw/zinc/08/38/54/1389083854.db2.gz BCWDNIOFHKLZGP-UHFFFAOYSA-N 1 2 336.867 2.164 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)Cc2ccoc2)C1 ZINC001393097250 1390319621 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Cc1conc1C(=O)NCC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC001400055390 1395866910 /nfs/dbraw/zinc/86/69/10/1395866910.db2.gz XNBSDIUUOQBRAY-UHFFFAOYSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCOc2ccc(OC)cc2)C1 ZINC001400561318 1396429429 /nfs/dbraw/zinc/42/94/29/1396429429.db2.gz MNFXIFNRJQNYTL-UHFFFAOYSA-N 1 2 338.835 2.265 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cnn(-c2ccccn2)c1 ZINC001401404065 1397243321 /nfs/dbraw/zinc/24/33/21/1397243321.db2.gz ZZMOIJKQQQDZAU-UHFFFAOYSA-N 1 2 333.823 2.024 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cnn(-c2ccccn2)c1 ZINC001401404065 1397243326 /nfs/dbraw/zinc/24/33/26/1397243326.db2.gz ZZMOIJKQQQDZAU-UHFFFAOYSA-N 1 2 333.823 2.024 20 30 EEEDLO CC(C)COCCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001754473818 1406915402 /nfs/dbraw/zinc/91/54/02/1406915402.db2.gz QRZCJINDHHOXLW-CQSZACIVSA-N 1 2 335.473 2.373 20 30 EEEDLO CC(C)COCCC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001754473818 1406915409 /nfs/dbraw/zinc/91/54/09/1406915409.db2.gz QRZCJINDHHOXLW-CQSZACIVSA-N 1 2 335.473 2.373 20 30 EEEDLO CO[C@@H](C)c1nc(C[N@H+](C)CCCN(C)C(=O)[C@H](C)C#N)cs1 ZINC001402642045 1398113095 /nfs/dbraw/zinc/11/30/95/1398113095.db2.gz WAUURLCKSQTNJF-OLZOCXBDSA-N 1 2 338.477 2.290 20 30 EEEDLO CO[C@@H](C)c1nc(C[N@@H+](C)CCCN(C)C(=O)[C@H](C)C#N)cs1 ZINC001402642045 1398113098 /nfs/dbraw/zinc/11/30/98/1398113098.db2.gz WAUURLCKSQTNJF-OLZOCXBDSA-N 1 2 338.477 2.290 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(CC)o1 ZINC001754657901 1406940773 /nfs/dbraw/zinc/94/07/73/1406940773.db2.gz JOUIRFZOQRELBD-CABCVRRESA-N 1 2 330.432 2.001 20 30 EEEDLO C#CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(CC)o1 ZINC001754657901 1406940775 /nfs/dbraw/zinc/94/07/75/1406940775.db2.gz JOUIRFZOQRELBD-CABCVRRESA-N 1 2 330.432 2.001 20 30 EEEDLO C#CCCCCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1nnc(C)[nH]1 ZINC001754866880 1406973784 /nfs/dbraw/zinc/97/37/84/1406973784.db2.gz FNEWNCLAQUKVMQ-IRXDYDNUSA-N 1 2 343.475 2.262 20 30 EEEDLO C#CCCCCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1nnc(C)[nH]1 ZINC001754866880 1406973791 /nfs/dbraw/zinc/97/37/91/1406973791.db2.gz FNEWNCLAQUKVMQ-IRXDYDNUSA-N 1 2 343.475 2.262 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1(COC)CCCCC1)CO2 ZINC001755061135 1407070573 /nfs/dbraw/zinc/07/05/73/1407070573.db2.gz GKZHRHDUNGTUEF-INIZCTEOSA-N 1 2 336.476 2.119 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCC[C@](CO)([NH2+]Cc2ncc(CC)o2)C1 ZINC001755083275 1407096617 /nfs/dbraw/zinc/09/66/17/1407096617.db2.gz NYDJUEGLXQDUGE-IBGZPJMESA-N 1 2 349.475 2.282 20 30 EEEDLO C=CCOCC[N@@H+]1CC[C@H](NC(=O)C(F)C(F)(F)F)C(C)(C)C1 ZINC001755139075 1407150891 /nfs/dbraw/zinc/15/08/91/1407150891.db2.gz SRTXBRAHUFLKLX-RYUDHWBXSA-N 1 2 340.361 2.306 20 30 EEEDLO C=CCOCC[N@H+]1CC[C@H](NC(=O)C(F)C(F)(F)F)C(C)(C)C1 ZINC001755139075 1407150896 /nfs/dbraw/zinc/15/08/96/1407150896.db2.gz SRTXBRAHUFLKLX-RYUDHWBXSA-N 1 2 340.361 2.306 20 30 EEEDLO C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H](F)C(F)(F)F)C(C)(C)C1 ZINC001755139075 1407150903 /nfs/dbraw/zinc/15/09/03/1407150903.db2.gz SRTXBRAHUFLKLX-RYUDHWBXSA-N 1 2 340.361 2.306 20 30 EEEDLO C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@H](F)C(F)(F)F)C(C)(C)C1 ZINC001755139075 1407150905 /nfs/dbraw/zinc/15/09/05/1407150905.db2.gz SRTXBRAHUFLKLX-RYUDHWBXSA-N 1 2 340.361 2.306 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ncc(C(C)C)o1 ZINC001755192994 1407201124 /nfs/dbraw/zinc/20/11/24/1407201124.db2.gz PCGODRXQQAPJKN-CVEARBPZSA-N 1 2 347.459 2.259 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ncc(C(C)C)o1 ZINC001755192994 1407201130 /nfs/dbraw/zinc/20/11/30/1407201130.db2.gz PCGODRXQQAPJKN-CVEARBPZSA-N 1 2 347.459 2.259 20 30 EEEDLO C[C@@H](C#N)CN(C)c1nnc(C2CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001433253868 1403370971 /nfs/dbraw/zinc/37/09/71/1403370971.db2.gz TZHSMECSWJUPJJ-ZDUSSCGKSA-N 1 2 339.447 2.261 20 30 EEEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2cccc3c2CCCCC3)C1 ZINC001755332981 1407331974 /nfs/dbraw/zinc/33/19/74/1407331974.db2.gz SQLFJPHQGKLAPL-UHFFFAOYSA-N 1 2 340.467 2.145 20 30 EEEDLO C=CCCOCC(=O)N[C@H](C)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC001755391259 1407399044 /nfs/dbraw/zinc/39/90/44/1407399044.db2.gz HWADABFYGRPWEY-CYBMUJFWSA-N 1 2 337.851 2.264 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](OCC)C3CCCC3)C2)C1 ZINC001755402356 1407406566 /nfs/dbraw/zinc/40/65/66/1407406566.db2.gz QUPDIBUDKWHAAY-IEBWSBKVSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](OCC)C3CCCC3)C2)C1 ZINC001755402356 1407406569 /nfs/dbraw/zinc/40/65/69/1407406569.db2.gz QUPDIBUDKWHAAY-IEBWSBKVSA-N 1 2 336.476 2.071 20 30 EEEDLO Cn1cnc2cccc(C(=O)NCC[N@H+](C)Cc3ccccc3C#N)c21 ZINC001731775334 1405900644 /nfs/dbraw/zinc/90/06/44/1405900644.db2.gz NETFIUPFTQLXAI-UHFFFAOYSA-N 1 2 347.422 2.307 20 30 EEEDLO Cn1cnc2cccc(C(=O)NCC[N@@H+](C)Cc3ccccc3C#N)c21 ZINC001731775334 1405900649 /nfs/dbraw/zinc/90/06/49/1405900649.db2.gz NETFIUPFTQLXAI-UHFFFAOYSA-N 1 2 347.422 2.307 20 30 EEEDLO C#CCCCC(=O)N1CC[C@@H]([NH2+]Cc2nc(CCCC)no2)[C@H]1C ZINC001755654864 1407706670 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346.475 2.371 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001756943197 1409535163 /nfs/dbraw/zinc/53/51/63/1409535163.db2.gz XVEHMYWASDPBEB-HUUCEWRRSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CCCC(=O)NCC[NH2+]Cc1nc(Cc2ccccc2C)no1 ZINC001124646011 1410338900 /nfs/dbraw/zinc/33/89/00/1410338900.db2.gz DWMDBFJDMRDFQL-UHFFFAOYSA-N 1 2 328.416 2.141 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCN(C)c1nc(C)[nH+]c(C)c1C ZINC001100358620 1410552525 /nfs/dbraw/zinc/55/25/25/1410552525.db2.gz JVTONFIEQHLYMB-IRXDYDNUSA-N 1 2 346.475 2.326 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H](n2cc(C[NH2+]C/C=C\Cl)nn2)C1 ZINC001098710279 782549735 /nfs/dbraw/zinc/54/97/35/782549735.db2.gz BTOXBNPKIAEETJ-KKTNHOPESA-N 1 2 337.855 2.250 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)nn2)C[C@H]1C ZINC001208964130 757244477 /nfs/dbraw/zinc/24/44/77/757244477.db2.gz SWIRNNRLLSSOPM-UKRRQHHQSA-N 1 2 332.448 2.024 20 30 EEEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)nn2)C[C@H]1C ZINC001208964130 757244484 /nfs/dbraw/zinc/24/44/84/757244484.db2.gz SWIRNNRLLSSOPM-UKRRQHHQSA-N 1 2 332.448 2.024 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CCO1 ZINC001104312096 758352241 /nfs/dbraw/zinc/35/22/41/758352241.db2.gz SGOGCRJJETYTIZ-HNNXBMFYSA-N 1 2 332.448 2.196 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CCO1 ZINC001104340054 759566576 /nfs/dbraw/zinc/56/65/76/759566576.db2.gz SQVHGZYJKDRAEG-GUYCJALGSA-N 1 2 346.475 2.326 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@H](C)C1 ZINC001112502925 759594542 /nfs/dbraw/zinc/59/45/42/759594542.db2.gz WFEUHECJSXDZIM-OLZOCXBDSA-N 1 2 342.447 2.049 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ncnn1CC)C2 ZINC001111761941 760000149 /nfs/dbraw/zinc/00/01/49/760000149.db2.gz SUWHKPZRXXIMIT-KXBFYZLASA-N 1 2 345.491 2.371 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ncnn1CC)C2 ZINC001111761941 760000159 /nfs/dbraw/zinc/00/01/59/760000159.db2.gz SUWHKPZRXXIMIT-KXBFYZLASA-N 1 2 345.491 2.371 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3csc4c3CC[C@H](C)C4)[C@H]2C1 ZINC001083265933 761300685 /nfs/dbraw/zinc/30/06/85/761300685.db2.gz ZBTYUDBYMZTIRD-RRQGHBQHSA-N 1 2 344.480 2.031 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3csc4c3CC[C@H](C)C4)[C@H]2C1 ZINC001083265933 761300694 /nfs/dbraw/zinc/30/06/94/761300694.db2.gz ZBTYUDBYMZTIRD-RRQGHBQHSA-N 1 2 344.480 2.031 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N(C)[C@H](C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001104541597 761721082 /nfs/dbraw/zinc/72/10/82/761721082.db2.gz QUZALJAYCJJXQN-YJYMSZOUSA-N 1 2 346.475 2.250 20 30 EEEDLO C=CCC1(C(=O)N(C)[C@@H](C)CNc2nc(N(C)C)nc(C)[nH+]2)CCC1 ZINC001104788483 765288510 /nfs/dbraw/zinc/28/85/10/765288510.db2.gz LGZOJNYOLCZPER-ZDUSSCGKSA-N 1 2 346.479 2.251 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@@H](C)CNc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001104804249 765323743 /nfs/dbraw/zinc/32/37/43/765323743.db2.gz AGMGKKLDKCRNMO-AWEZNQCLSA-N 1 2 343.475 2.080 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)[C@@H](C)CNc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001104804249 765323750 /nfs/dbraw/zinc/32/37/50/765323750.db2.gz AGMGKKLDKCRNMO-AWEZNQCLSA-N 1 2 343.475 2.080 20 30 EEEDLO C=CCOCC(=O)N(C)CCCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC001112052413 765335192 /nfs/dbraw/zinc/33/51/92/765335192.db2.gz MOGJMPPPMVWIBF-UHFFFAOYSA-N 1 2 346.475 2.151 20 30 EEEDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1NC(=O)c1cnco1 ZINC000942540115 782666479 /nfs/dbraw/zinc/66/64/79/782666479.db2.gz HCEGUZOOEGOSFS-LRDDRELGSA-N 1 2 342.374 2.326 20 30 EEEDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1NC(=O)c1cnco1 ZINC000942540115 782666481 /nfs/dbraw/zinc/66/64/81/782666481.db2.gz HCEGUZOOEGOSFS-LRDDRELGSA-N 1 2 342.374 2.326 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCN(CC#N)CC(C)(C)C2)c[nH+]1 ZINC001089416339 768928739 /nfs/dbraw/zinc/92/87/39/768928739.db2.gz KQDMQCVTVDRYJY-OAHLLOKOSA-N 1 2 331.464 2.057 20 30 EEEDLO C=CCOCC(=O)NC[C@@H](Nc1nc(C)[nH+]c2c1CCCC2)C(C)C ZINC001105136228 769138250 /nfs/dbraw/zinc/13/82/50/769138250.db2.gz NVLLEPQGWJVDJG-QGZVFWFLSA-N 1 2 346.475 2.419 20 30 EEEDLO C=CCCCC(=O)N[C@H](C)C[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001089450999 769349918 /nfs/dbraw/zinc/34/99/18/769349918.db2.gz BVHYDZSVABHGRU-CHWSQXEVSA-N 1 2 334.468 2.298 20 30 EEEDLO Cc1nc(N[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C(C)C)ccc1C#N ZINC001105298500 769623950 /nfs/dbraw/zinc/62/39/50/769623950.db2.gz JSNXGHLRVXRLOU-MRXNPFEDSA-N 1 2 340.431 2.170 20 30 EEEDLO Cc1nc(N[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C(C)C)ccc1C#N ZINC001105298500 769623958 /nfs/dbraw/zinc/62/39/58/769623958.db2.gz JSNXGHLRVXRLOU-MRXNPFEDSA-N 1 2 340.431 2.170 20 30 EEEDLO C[C@@H](O[NH+]=C(N)Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000072001953 782770453 /nfs/dbraw/zinc/77/04/53/782770453.db2.gz WGWKKXBUWYWGCO-GFCCVEGCSA-N 1 2 342.355 2.453 20 30 EEEDLO CC(C)(C)[C@H](CNc1ncc(C#N)cc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001125973853 769816197 /nfs/dbraw/zinc/81/61/97/769816197.db2.gz FHGKNYWPUUVADB-ZDUSSCGKSA-N 1 2 344.394 2.001 20 30 EEEDLO Cc1nc(C)c(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)o1 ZINC001031595150 769964750 /nfs/dbraw/zinc/96/47/50/769964750.db2.gz RYTLDBLCFSEPIN-UHFFFAOYSA-N 1 2 342.374 2.164 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)no3)C[C@H]2C)CC1 ZINC000942599756 782821426 /nfs/dbraw/zinc/82/14/26/782821426.db2.gz FBXDRMZHRBRSLQ-CZUORRHYSA-N 1 2 332.448 2.451 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C)no3)C[C@H]2C)CC1 ZINC000942599756 782821430 /nfs/dbraw/zinc/82/14/30/782821430.db2.gz FBXDRMZHRBRSLQ-CZUORRHYSA-N 1 2 332.448 2.451 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)c1cc[nH]c1C ZINC001027818021 770536808 /nfs/dbraw/zinc/53/68/08/770536808.db2.gz JCAMHXUZNJOQRL-LBPRGKRZSA-N 1 2 326.238 2.426 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc[nH]c1C ZINC001027818021 770536813 /nfs/dbraw/zinc/53/68/13/770536813.db2.gz JCAMHXUZNJOQRL-LBPRGKRZSA-N 1 2 326.238 2.426 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cscn3)C[C@H]2C)c1 ZINC000942615879 782869859 /nfs/dbraw/zinc/86/98/59/782869859.db2.gz JGABKPAOESWQPI-DYVFJYSZSA-N 1 2 340.452 2.160 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cscn3)C[C@H]2C)c1 ZINC000942615879 782869868 /nfs/dbraw/zinc/86/98/68/782869868.db2.gz JGABKPAOESWQPI-DYVFJYSZSA-N 1 2 340.452 2.160 20 30 EEEDLO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1)c1ncccc1O ZINC001027843880 773413527 /nfs/dbraw/zinc/41/35/27/773413527.db2.gz ILPKIUAMZOIOQK-QGZVFWFLSA-N 1 2 335.407 2.033 20 30 EEEDLO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1)c1ncccc1O ZINC001027843880 773413529 /nfs/dbraw/zinc/41/35/29/773413529.db2.gz ILPKIUAMZOIOQK-QGZVFWFLSA-N 1 2 335.407 2.033 20 30 EEEDLO CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001089641355 773646254 /nfs/dbraw/zinc/64/62/54/773646254.db2.gz LMSYUEWRWXPCDG-JKSUJKDBSA-N 1 2 342.487 2.460 20 30 EEEDLO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001089641355 773646258 /nfs/dbraw/zinc/64/62/58/773646258.db2.gz LMSYUEWRWXPCDG-JKSUJKDBSA-N 1 2 342.487 2.460 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCN2c2ccccc2)C1 ZINC001031721766 773651323 /nfs/dbraw/zinc/65/13/23/773651323.db2.gz BQKFBKWFVYZRAJ-KRWDZBQOSA-N 1 2 333.863 2.456 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ncc(CC)o1 ZINC001027890444 774066000 /nfs/dbraw/zinc/06/60/00/774066000.db2.gz ZWCLIDKARYXCKV-UAGQMJEPSA-N 1 2 347.459 2.299 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncc(CC)o1 ZINC001027890444 774066005 /nfs/dbraw/zinc/06/60/05/774066005.db2.gz ZWCLIDKARYXCKV-UAGQMJEPSA-N 1 2 347.459 2.299 20 30 EEEDLO N#Cc1cccc(N2CC[NH+](Cc3cnn(CC4CCC4)c3)CC2)n1 ZINC000893598458 774320542 /nfs/dbraw/zinc/32/05/42/774320542.db2.gz UVCXQNFKOBQHID-UHFFFAOYSA-N 1 2 336.443 2.272 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060756119 774327809 /nfs/dbraw/zinc/32/78/09/774327809.db2.gz DBZDMXGENPDPFF-QAETUUGQSA-N 1 2 346.475 2.133 20 30 EEEDLO C[C@H](CC(=O)N(C)CCCN(C)c1ccc(C#N)nc1)n1cc[nH+]c1 ZINC001112183850 783169948 /nfs/dbraw/zinc/16/99/48/783169948.db2.gz CYVHRWOENLPVNI-OAHLLOKOSA-N 1 2 340.431 2.086 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)N(CC)c1[nH+]cnc2c1cnn2C ZINC001089722715 774732193 /nfs/dbraw/zinc/73/21/93/774732193.db2.gz GBDFRVHTQUAQNZ-ZIAGYGMSSA-N 1 2 344.463 2.297 20 30 EEEDLO Cc1cc(N[C@H]2C[C@@H](CNC(=O)CSCC#N)C2)nc(C(C)C)[nH+]1 ZINC001091325080 790333923 /nfs/dbraw/zinc/33/39/23/790333923.db2.gz ATEWONGOYCEQKP-OKILXGFUSA-N 1 2 347.488 2.472 20 30 EEEDLO COc1ccc(CC(N)=[NH+]OCC(=O)NC2CCC(C)CC2)cc1 ZINC000060455065 790368692 /nfs/dbraw/zinc/36/86/92/790368692.db2.gz QQEWTLBPCHENLU-UHFFFAOYSA-N 1 2 333.432 2.221 20 30 EEEDLO Cc1nc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)c(F)c3)CC2)c[nH]1 ZINC000980842820 775789346 /nfs/dbraw/zinc/78/93/46/775789346.db2.gz MTYIGRHUXHPTPZ-UHFFFAOYSA-N 1 2 341.390 2.077 20 30 EEEDLO Cc1nc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)c[nH]1 ZINC000980842820 775789353 /nfs/dbraw/zinc/78/93/53/775789353.db2.gz MTYIGRHUXHPTPZ-UHFFFAOYSA-N 1 2 341.390 2.077 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3ccc(F)c(F)c3)CC2)nc1 ZINC000060480491 790394579 /nfs/dbraw/zinc/39/45/79/790394579.db2.gz NZLLXDOHBRNOBF-KRWDZBQOSA-N 1 2 344.365 2.087 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1)C1CC1 ZINC000981075609 776483174 /nfs/dbraw/zinc/48/31/74/776483174.db2.gz JXLPHAKCYMRPCQ-MRXNPFEDSA-N 1 2 333.457 2.079 20 30 EEEDLO CO[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1)C1CC1 ZINC000981075609 776483180 /nfs/dbraw/zinc/48/31/80/776483180.db2.gz JXLPHAKCYMRPCQ-MRXNPFEDSA-N 1 2 333.457 2.079 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCCN(c2cc[nH+]c(C)n2)C1 ZINC001063241365 790465213 /nfs/dbraw/zinc/46/52/13/790465213.db2.gz WBDVWKZUENCKJF-RYRKJORJSA-N 1 2 344.459 2.241 20 30 EEEDLO CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3c4cn[nH]c4CC[C@@H]3C)C2)C1 ZINC000981899518 778505142 /nfs/dbraw/zinc/50/51/42/778505142.db2.gz LGJCQURATMHYOY-MAUKXSAKSA-N 1 2 340.471 2.023 20 30 EEEDLO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3c4cn[nH]c4CC[C@@H]3C)C2)C1 ZINC000981899518 778505147 /nfs/dbraw/zinc/50/51/47/778505147.db2.gz LGJCQURATMHYOY-MAUKXSAKSA-N 1 2 340.471 2.023 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[N@@H+](Cc3cc(C)ns3)CC2)c1 ZINC000981923318 778539291 /nfs/dbraw/zinc/53/92/91/778539291.db2.gz PMFDDYBSZSMBPR-UHFFFAOYSA-N 1 2 340.452 2.176 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[N@H+](Cc3cc(C)ns3)CC2)c1 ZINC000981923318 778539293 /nfs/dbraw/zinc/53/92/93/778539293.db2.gz PMFDDYBSZSMBPR-UHFFFAOYSA-N 1 2 340.452 2.176 20 30 EEEDLO C[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1)[C@@H]1CCCO1 ZINC000981913547 778542278 /nfs/dbraw/zinc/54/22/78/778542278.db2.gz VFRNSWBQQHYDNR-LPHOPBHVSA-N 1 2 341.455 2.408 20 30 EEEDLO C[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1)[C@@H]1CCCO1 ZINC000981913547 778542284 /nfs/dbraw/zinc/54/22/84/778542284.db2.gz VFRNSWBQQHYDNR-LPHOPBHVSA-N 1 2 341.455 2.408 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(F)c(C#N)c3)CC2)O1 ZINC000981998955 778825375 /nfs/dbraw/zinc/82/53/75/778825375.db2.gz IBUIVFRSNHYBAI-RDTXWAMCSA-N 1 2 345.418 2.299 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)CC2)O1 ZINC000981998955 778825383 /nfs/dbraw/zinc/82/53/83/778825383.db2.gz IBUIVFRSNHYBAI-RDTXWAMCSA-N 1 2 345.418 2.299 20 30 EEEDLO C#CCCCC(=O)NCC[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC001126343741 779782412 /nfs/dbraw/zinc/78/24/12/779782412.db2.gz FOTZODWZWPQSMA-OAHLLOKOSA-N 1 2 340.427 2.231 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H](C)[C@H]2CCCN(c3cc[nH+]c(C)n3)C2)c1 ZINC001060369929 790770045 /nfs/dbraw/zinc/77/00/45/790770045.db2.gz PZQBHEDEAICSNT-PBHICJAKSA-N 1 2 349.438 2.196 20 30 EEEDLO O=C(CC1CCCCC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083326824 780215640 /nfs/dbraw/zinc/21/56/40/780215640.db2.gz QTUWEMUDCDNEGA-UXHICEINSA-N 1 2 340.467 2.170 20 30 EEEDLO O=C(CC1CCCCC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083326824 780215648 /nfs/dbraw/zinc/21/56/48/780215648.db2.gz QTUWEMUDCDNEGA-UXHICEINSA-N 1 2 340.467 2.170 20 30 EEEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCCCCCCC)C2)nn1 ZINC001105366541 780851031 /nfs/dbraw/zinc/85/10/31/780851031.db2.gz VMHSQHSMQVBVJV-UHFFFAOYSA-N 1 2 331.464 2.135 20 30 EEEDLO C=CCOc1ccc(C(=O)NC2C[NH+](CCOC3CCC3)C2)cc1 ZINC001030541095 790899677 /nfs/dbraw/zinc/89/96/77/790899677.db2.gz DDQRHZDCFWMDJD-UHFFFAOYSA-N 1 2 330.428 2.235 20 30 EEEDLO C=CC(C)(C)C(=O)N(CCO)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001111537802 781826863 /nfs/dbraw/zinc/82/68/63/781826863.db2.gz OBURSIPALPSYTB-UHFFFAOYSA-N 1 2 332.448 2.107 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cc(C4CC4)n[nH]3)C2)s1 ZINC001031999853 781881701 /nfs/dbraw/zinc/88/17/01/781881701.db2.gz FIKMJRAIWUWJOA-UHFFFAOYSA-N 1 2 341.440 2.082 20 30 EEEDLO CCCc1noc(C[NH2+][C@@H]2CCCCCN(C(=O)[C@H](C)C#N)C2)n1 ZINC001088281540 783352593 /nfs/dbraw/zinc/35/25/93/783352593.db2.gz PCGGNPMSIWMCRD-ZIAGYGMSSA-N 1 2 333.436 2.043 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCc2cccs2)C1 ZINC001131894701 783421970 /nfs/dbraw/zinc/42/19/70/783421970.db2.gz BMJNTACAVZHGLH-HUUCEWRRSA-N 1 2 349.500 2.300 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCc2cccs2)C1 ZINC001131894701 783421977 /nfs/dbraw/zinc/42/19/77/783421977.db2.gz BMJNTACAVZHGLH-HUUCEWRRSA-N 1 2 349.500 2.300 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc3c(c2)CCO3)C1 ZINC001033300471 783426816 /nfs/dbraw/zinc/42/68/16/783426816.db2.gz MZPKAMMIVCAQTG-INIZCTEOSA-N 1 2 334.847 2.449 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc3c(c2)CCO3)C1 ZINC001033300471 783426823 /nfs/dbraw/zinc/42/68/23/783426823.db2.gz MZPKAMMIVCAQTG-INIZCTEOSA-N 1 2 334.847 2.449 20 30 EEEDLO C=CCCC(=O)N1CCC[C@@H](N(C)C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001078936541 783477992 /nfs/dbraw/zinc/47/79/92/783477992.db2.gz MZMGJMSCORRRQZ-OAHLLOKOSA-N 1 2 332.448 2.148 20 30 EEEDLO C=C1CCC(C(=O)N(CC)[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000942955619 783550087 /nfs/dbraw/zinc/55/00/87/783550087.db2.gz QCBARAWLIPMEIH-INIZCTEOSA-N 1 2 344.459 2.148 20 30 EEEDLO C#CCOCCC(=O)N(C)C1CC(Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001127006861 784044601 /nfs/dbraw/zinc/04/46/01/784044601.db2.gz UONOSKXJNLBKIV-UHFFFAOYSA-N 1 2 344.459 2.350 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cccc(C(F)F)c2F)C1 ZINC001035368266 784383871 /nfs/dbraw/zinc/38/38/71/784383871.db2.gz OKOQWGRXUGFIHS-GFCCVEGCSA-N 1 2 340.345 2.217 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cccc(C(F)F)c2F)C1 ZINC001035368266 784383880 /nfs/dbraw/zinc/38/38/80/784383880.db2.gz OKOQWGRXUGFIHS-GFCCVEGCSA-N 1 2 340.345 2.217 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC001035418078 784497592 /nfs/dbraw/zinc/49/75/92/784497592.db2.gz WHTJZXRRUJZFOF-BFHYXJOUSA-N 1 2 332.366 2.134 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC001035418078 784497599 /nfs/dbraw/zinc/49/75/99/784497599.db2.gz WHTJZXRRUJZFOF-BFHYXJOUSA-N 1 2 332.366 2.134 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001035454797 784504155 /nfs/dbraw/zinc/50/41/55/784504155.db2.gz OJLKXCFOBXEXCP-CWRNSKLLSA-N 1 2 336.382 2.071 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC001035454797 784504160 /nfs/dbraw/zinc/50/41/60/784504160.db2.gz OJLKXCFOBXEXCP-CWRNSKLLSA-N 1 2 336.382 2.071 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC001035464821 784586820 /nfs/dbraw/zinc/58/68/20/784586820.db2.gz AGCLYILKLUGRFH-CQSZACIVSA-N 1 2 333.819 2.438 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC001035464821 784586826 /nfs/dbraw/zinc/58/68/26/784586826.db2.gz AGCLYILKLUGRFH-CQSZACIVSA-N 1 2 333.819 2.438 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2OC2CCC2)C1 ZINC001035495999 784633088 /nfs/dbraw/zinc/63/30/88/784633088.db2.gz JQQZUJGSYNHBQT-QGZVFWFLSA-N 1 2 342.439 2.072 20 30 EEEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccccc2OC2CCC2)C1 ZINC001035495999 784633096 /nfs/dbraw/zinc/63/30/96/784633096.db2.gz JQQZUJGSYNHBQT-QGZVFWFLSA-N 1 2 342.439 2.072 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC001035540865 784645545 /nfs/dbraw/zinc/64/55/45/784645545.db2.gz DPEUQICMOPGYAY-IXDOHACOSA-N 1 2 334.847 2.447 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC001035540865 784645552 /nfs/dbraw/zinc/64/55/52/784645552.db2.gz DPEUQICMOPGYAY-IXDOHACOSA-N 1 2 334.847 2.447 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C)nc2OCCC)C1 ZINC001035560212 784734182 /nfs/dbraw/zinc/73/41/82/784734182.db2.gz QIZAWCXLENYMJU-INIZCTEOSA-N 1 2 347.459 2.186 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C)nc2OCCC)C1 ZINC001035560212 784734186 /nfs/dbraw/zinc/73/41/86/784734186.db2.gz QIZAWCXLENYMJU-INIZCTEOSA-N 1 2 347.459 2.186 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091540464 791091815 /nfs/dbraw/zinc/09/18/15/791091815.db2.gz FDJAHEUEIUQJAV-CWRNSKLLSA-N 1 2 332.448 2.463 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000946001843 785279371 /nfs/dbraw/zinc/27/93/71/785279371.db2.gz OPRXHSASJXSUHX-HUUCEWRRSA-N 1 2 344.459 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ZINC001090532090 785835084 /nfs/dbraw/zinc/83/50/84/785835084.db2.gz QZOVHZGPHWBTJV-UONOGXRCSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CC3=CCCCC3)nn2)C1 ZINC001107147238 786096205 /nfs/dbraw/zinc/09/62/05/786096205.db2.gz VNSVUCIQNONHNQ-UHFFFAOYSA-N 1 2 329.448 2.218 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](F)CC)C[C@@H]2n2ccnn2)CCC1 ZINC001129242976 786198115 /nfs/dbraw/zinc/19/81/15/786198115.db2.gz CYGQQUGZKIRPQF-OAGGEKHMSA-N 1 2 349.454 2.114 20 30 EEEDLO C=CCC1(C(=O)N[C@@H]2C[N@H+](C[C@H](F)CC)C[C@@H]2n2ccnn2)CCC1 ZINC001129242976 786198117 /nfs/dbraw/zinc/19/81/17/786198117.db2.gz CYGQQUGZKIRPQF-OAGGEKHMSA-N 1 2 349.454 2.114 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@]3(C)CC=CCC3)nn2)C1 ZINC001107174313 786224877 /nfs/dbraw/zinc/22/48/77/786224877.db2.gz NQILGFYHWJYXMM-SFHVURJKSA-N 1 2 329.448 2.074 20 30 EEEDLO C=CCC1(C(=O)N(C)CCCNc2[nH+]cnc3c2cnn3C)CCC1 ZINC001109606050 805757872 /nfs/dbraw/zinc/75/78/72/805757872.db2.gz HTXMFPXRJTUFBI-UHFFFAOYSA-N 1 2 342.447 2.370 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C12CCC2 ZINC001090598870 787189551 /nfs/dbraw/zinc/18/95/51/787189551.db2.gz IDGIPYYSFCOMKC-KGLIPLIRSA-N 1 2 344.463 2.052 20 30 EEEDLO COC(=O)c1ccc(C(=N)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC001170988185 787217620 /nfs/dbraw/zinc/21/76/20/787217620.db2.gz LSGJHSNJSNNCOE-UHFFFAOYSA-N 1 2 335.367 2.150 20 30 EEEDLO C#CCOc1ccc(C(=O)NC/C=C/CNc2cc[nH+]c(C)n2)cc1 ZINC001107537191 787543068 /nfs/dbraw/zinc/54/30/68/787543068.db2.gz ABNUMXHCXDBLII-SNAWJCMRSA-N 1 2 336.395 2.195 20 30 EEEDLO Cc1nc(NC/C=C\CNC(=O)C[C@H](C)n2cc[nH+]c2)ccc1C#N ZINC001107545642 787569878 /nfs/dbraw/zinc/56/98/78/787569878.db2.gz JWGSNNBWBNZXOC-NQHOJNORSA-N 1 2 338.415 2.194 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC(CN(C)c3cc[nH+]c(C)n3)CC2)cn1 ZINC001062219292 787611625 /nfs/dbraw/zinc/61/16/25/787611625.db2.gz CJSNHBQMBQHHBV-UHFFFAOYSA-N 1 2 349.438 2.150 20 30 EEEDLO Cc1ccncc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 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794064562 /nfs/dbraw/zinc/06/45/62/794064562.db2.gz LQZAEQFSTSSTJU-RPVQJOFSSA-N 1 2 348.878 2.380 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)on1 ZINC001079413000 794709997 /nfs/dbraw/zinc/70/99/97/794709997.db2.gz KMVPEGJGDXEABR-CXAGYDPISA-N 1 2 341.386 2.224 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2C)on1 ZINC001079413000 794709999 /nfs/dbraw/zinc/70/99/99/794709999.db2.gz KMVPEGJGDXEABR-CXAGYDPISA-N 1 2 341.386 2.224 20 30 EEEDLO C=CCCOCCCCC(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]c(C)n3)C[C@H]21 ZINC001093307842 794944512 /nfs/dbraw/zinc/94/45/12/794944512.db2.gz HLOJIGZQHFYJAN-MNZLEMJZSA-N 1 2 344.459 2.099 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3nc(C)[nH+]c4c3CCCC4)C[C@H]21 ZINC001093331540 794985834 /nfs/dbraw/zinc/98/58/34/794985834.db2.gz PWIPJFJDCVDION-QLPKVWCKSA-N 1 2 340.471 2.427 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)NC(C)=O)C2 ZINC001110008549 806381923 /nfs/dbraw/zinc/38/19/23/806381923.db2.gz 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2.369 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ncc(C)s2)C[C@H]1C ZINC001079721047 795134906 /nfs/dbraw/zinc/13/49/06/795134906.db2.gz ITTIRHIBLGBXKC-MIGQKNRLSA-N 1 2 349.500 2.369 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2csc(C)n2)C[C@H]1C ZINC001079721051 795135084 /nfs/dbraw/zinc/13/50/84/795135084.db2.gz IXMDUJTWQHCKED-YYQUZTFQSA-N 1 2 349.500 2.369 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2csc(C)n2)C[C@H]1C ZINC001079721051 795135087 /nfs/dbraw/zinc/13/50/87/795135087.db2.gz IXMDUJTWQHCKED-YYQUZTFQSA-N 1 2 349.500 2.369 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC(N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001079792955 795201833 /nfs/dbraw/zinc/20/18/33/795201833.db2.gz MFYKVEMENSIXAN-DNVCBOLYSA-N 1 2 346.475 2.496 20 30 EEEDLO Cc1ccc(C[NH+]2CC(OC3CCN(C(=O)[C@H](C)C#N)CC3)C2)cc1 ZINC001093517745 795304037 /nfs/dbraw/zinc/30/40/37/795304037.db2.gz YCPKLPIAIUHBLS-MRXNPFEDSA-N 1 2 341.455 2.347 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3ccc(COC)o3)CC2)C1 ZINC001093554548 795333120 /nfs/dbraw/zinc/33/31/20/795333120.db2.gz ZFZVOAGFOQIPRD-UHFFFAOYSA-N 1 2 348.443 2.308 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3c[nH]c(CC(C)C)n3)CC2)C1 ZINC001093537394 795334039 /nfs/dbraw/zinc/33/40/39/795334039.db2.gz ROQGYXOCNUYPEQ-UHFFFAOYSA-N 1 2 346.475 2.100 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3nc4c(s3)CCC4)CC2)C1 ZINC001093552404 795372496 /nfs/dbraw/zinc/37/24/96/795372496.db2.gz RZKQHORISLVKGV-UHFFFAOYSA-N 1 2 347.484 2.123 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CC[C@@H]3CCCOC3)CC2)C1 ZINC001093586893 795399311 /nfs/dbraw/zinc/39/93/11/795399311.db2.gz IYZIBWKOMNFQKM-INIZCTEOSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001080183302 795684754 /nfs/dbraw/zinc/68/47/54/795684754.db2.gz QHHVZLGRZKUGSU-ZWNOBZJWSA-N 1 2 347.850 2.323 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnc3[nH]c(CC)nc32)C1 ZINC001080183302 795684759 /nfs/dbraw/zinc/68/47/59/795684759.db2.gz QHHVZLGRZKUGSU-ZWNOBZJWSA-N 1 2 347.850 2.323 20 30 EEEDLO C=CC(C)(C)C(=O)N(CC)C1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001080221805 795725740 /nfs/dbraw/zinc/72/57/40/795725740.db2.gz MRHOXZHZCOLNSZ-AWEZNQCLSA-N 1 2 344.459 2.101 20 30 EEEDLO C#CCOCCC(=O)NCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001093892903 795790424 /nfs/dbraw/zinc/79/04/24/795790424.db2.gz IRASAAIFVICOOZ-UHFFFAOYSA-N 1 2 332.448 2.291 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001080309089 795812178 /nfs/dbraw/zinc/81/21/78/795812178.db2.gz WLRCWJRDOJLJGJ-LSDHHAIUSA-N 1 2 346.475 2.250 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001080309089 795812183 /nfs/dbraw/zinc/81/21/83/795812183.db2.gz WLRCWJRDOJLJGJ-LSDHHAIUSA-N 1 2 346.475 2.250 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N(CC)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001080309801 795812842 /nfs/dbraw/zinc/81/28/42/795812842.db2.gz GIQDLFRSLUZWEK-AWEZNQCLSA-N 1 2 346.475 2.349 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N(CC)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001080466023 796037949 /nfs/dbraw/zinc/03/79/49/796037949.db2.gz PTXLTVXKACGZNE-IBGZPJMESA-N 1 2 346.475 2.349 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ccc(C)c(Cl)c3)nn2)C1 ZINC001094314943 796080637 /nfs/dbraw/zinc/08/06/37/796080637.db2.gz FGTVVNUKXMPSHE-UHFFFAOYSA-N 1 2 345.834 2.213 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[C@H](C)C[C@H](C)C3)nn2)C1 ZINC001094340813 796116397 /nfs/dbraw/zinc/11/63/97/796116397.db2.gz SZQJBJKQHFSOIK-FICVDOATSA-N 1 2 331.464 2.009 20 30 EEEDLO C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(-c4nnc[nH]4)c3)CCC[C@@H]12 ZINC001094487423 796277408 /nfs/dbraw/zinc/27/74/08/796277408.db2.gz XOWLQKMRDFDFFS-YLJYHZDGSA-N 1 2 349.438 2.079 20 30 EEEDLO C#CC[N@H+]1CC[C@@]2(CNC(=O)c3cccc(-c4nnc[nH]4)c3)CCC[C@@H]12 ZINC001094487423 796277413 /nfs/dbraw/zinc/27/74/13/796277413.db2.gz XOWLQKMRDFDFFS-YLJYHZDGSA-N 1 2 349.438 2.079 20 30 EEEDLO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)c(C)s1)C2 ZINC001110074874 806492933 /nfs/dbraw/zinc/49/29/33/806492933.db2.gz HDIGIRMUDXSBDZ-PMPSAXMXSA-N 1 2 332.469 2.350 20 30 EEEDLO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)c(C)s1)C2 ZINC001110074874 806492938 /nfs/dbraw/zinc/49/29/38/806492938.db2.gz HDIGIRMUDXSBDZ-PMPSAXMXSA-N 1 2 332.469 2.350 20 30 EEEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cc(Cl)no1 ZINC001080823642 796422887 /nfs/dbraw/zinc/42/28/87/796422887.db2.gz AULYVTYDCAKQBS-UKRRQHHQSA-N 1 2 343.814 2.430 20 30 EEEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cc(Cl)no1 ZINC001080823642 796422891 /nfs/dbraw/zinc/42/28/91/796422891.db2.gz AULYVTYDCAKQBS-UKRRQHHQSA-N 1 2 343.814 2.430 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cncc3ncn(C)c32)[C@@H]1C ZINC000993442536 796696746 /nfs/dbraw/zinc/69/67/46/796696746.db2.gz CDYRGZMTEVNJIG-GXTWGEPZSA-N 1 2 347.850 2.304 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cncc3ncn(C)c32)[C@@H]1C ZINC000993442536 796696749 /nfs/dbraw/zinc/69/67/49/796696749.db2.gz CDYRGZMTEVNJIG-GXTWGEPZSA-N 1 2 347.850 2.304 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2c(C)nn(C)c2C)[C@H]1C ZINC000993647757 796871227 /nfs/dbraw/zinc/87/12/27/796871227.db2.gz SUDBJRSEPXRLCX-GDBMZVCRSA-N 1 2 338.883 2.301 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2c(C)nn(C)c2C)[C@H]1C ZINC000993647757 796871230 /nfs/dbraw/zinc/87/12/30/796871230.db2.gz SUDBJRSEPXRLCX-GDBMZVCRSA-N 1 2 338.883 2.301 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N(C)C(C)C)cc1 ZINC001032814969 796908428 /nfs/dbraw/zinc/90/84/28/796908428.db2.gz SJWNRQQDDLQEAC-OALUTQOASA-N 1 2 325.456 2.453 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N(C)C(C)C)cc1 ZINC001032814969 796908431 /nfs/dbraw/zinc/90/84/31/796908431.db2.gz SJWNRQQDDLQEAC-OALUTQOASA-N 1 2 325.456 2.453 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc(OC)cn2)[C@H]1C ZINC000993718862 796933184 /nfs/dbraw/zinc/93/31/84/796933184.db2.gz LYGGDIUDEVUUCI-CJNGLKHVSA-N 1 2 337.851 2.354 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(OC)cn2)[C@H]1C ZINC000993718862 796933186 /nfs/dbraw/zinc/93/31/86/796933186.db2.gz LYGGDIUDEVUUCI-CJNGLKHVSA-N 1 2 337.851 2.354 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2nccn3ccnc23)[C@@H]1C ZINC000993854251 797089858 /nfs/dbraw/zinc/08/98/58/797089858.db2.gz KVCVBXLATWTKGR-STQMWFEESA-N 1 2 333.823 2.065 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2nccn3ccnc23)[C@@H]1C ZINC000993854251 797089864 /nfs/dbraw/zinc/08/98/64/797089864.db2.gz KVCVBXLATWTKGR-STQMWFEESA-N 1 2 333.823 2.065 20 30 EEEDLO Cn1c[nH+]cc1CC(=O)NCCCCCCNc1ncccc1C#N ZINC001094961477 797117542 /nfs/dbraw/zinc/11/75/42/797117542.db2.gz JMNQPLNYEQMEDQ-UHFFFAOYSA-N 1 2 340.431 2.018 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(Cl)oc3ccccc32)[C@H](OC)C1 ZINC001082051730 797124888 /nfs/dbraw/zinc/12/48/88/797124888.db2.gz QIYGZXIOLZFSJL-TZMCWYRMSA-N 1 2 332.787 2.148 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(Cl)oc3ccccc32)[C@H](OC)C1 ZINC001082051730 797124890 /nfs/dbraw/zinc/12/48/90/797124890.db2.gz QIYGZXIOLZFSJL-TZMCWYRMSA-N 1 2 332.787 2.148 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCC(=O)[C@H](F)CC2)C[C@H]1C#N ZINC001172980246 797180091 /nfs/dbraw/zinc/18/00/91/797180091.db2.gz LVUHVHBZORVKPX-HZSPNIEDSA-N 1 2 339.411 2.281 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCC(=O)[C@H](F)CC2)C[C@H]1C#N ZINC001172980246 797180094 /nfs/dbraw/zinc/18/00/94/797180094.db2.gz LVUHVHBZORVKPX-HZSPNIEDSA-N 1 2 339.411 2.281 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001095038201 797261898 /nfs/dbraw/zinc/26/18/98/797261898.db2.gz XOPBOCLKDJSBIV-AUUYWEPGSA-N 1 2 344.459 2.004 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001082237851 797339258 /nfs/dbraw/zinc/33/92/58/797339258.db2.gz YZQYVGODJCANQI-IRXDYDNUSA-N 1 2 346.475 2.373 20 30 EEEDLO C#CCCCCCC(=O)NC[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001082320473 797448757 /nfs/dbraw/zinc/44/87/57/797448757.db2.gz UYZQXGCYXVWPKL-KRWDZBQOSA-N 1 2 344.459 2.033 20 30 EEEDLO C[C@@H](C[NH+]1CCOCC1)/N=C\c1cc(Br)ccc1O ZINC000915979999 797465102 /nfs/dbraw/zinc/46/51/02/797465102.db2.gz VZZSAPSFRVHNGS-RCEBRVLHSA-N 1 2 327.222 2.294 20 30 EEEDLO Cc1nsc(N[C@@H](C)C[C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)c1C#N ZINC001089359116 797525446 /nfs/dbraw/zinc/52/54/46/797525446.db2.gz OYBCGTUTPNFPCS-ZJUUUORDSA-N 1 2 346.460 2.293 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)o1 ZINC001095282988 797698177 /nfs/dbraw/zinc/69/81/77/797698177.db2.gz GRZRQISJCIIKMG-UYHMYPTGSA-N 1 2 339.399 2.279 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(C#N)c[nH]2)C3)o1 ZINC001095282988 797698181 /nfs/dbraw/zinc/69/81/81/797698181.db2.gz GRZRQISJCIIKMG-UYHMYPTGSA-N 1 2 339.399 2.279 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)c(C)s2)C[C@H]1O ZINC001099945402 797725759 /nfs/dbraw/zinc/72/57/59/797725759.db2.gz WURZSKWLFIKDFG-UONOGXRCSA-N 1 2 337.489 2.024 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2nc(C)c(C)s2)C[C@H]1O ZINC001099945402 797725762 /nfs/dbraw/zinc/72/57/62/797725762.db2.gz WURZSKWLFIKDFG-UONOGXRCSA-N 1 2 337.489 2.024 20 30 EEEDLO C=C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)no2)C1)c1ccccc1 ZINC001082937343 797756722 /nfs/dbraw/zinc/75/67/22/797756722.db2.gz SMOGWMCIJZJIAN-KBRIMQKVSA-N 1 2 340.427 2.284 20 30 EEEDLO N#Cc1cc(F)c(Nc2cnn(CC[NH+]3CCOCC3)c2)cc1F ZINC001174491871 797769027 /nfs/dbraw/zinc/76/90/27/797769027.db2.gz WWIXSXYOXYTDKV-UHFFFAOYSA-N 1 2 333.342 2.109 20 30 EEEDLO Cc1cc(C#N)c(F)cc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001174493358 797770385 /nfs/dbraw/zinc/77/03/85/797770385.db2.gz SSIHKTHAEUQWAV-UHFFFAOYSA-N 1 2 329.379 2.278 20 30 EEEDLO O=C(C1CC1)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001082972875 797775936 /nfs/dbraw/zinc/77/59/36/797775936.db2.gz WLLSNZJKYHETBB-ZWKOTPCHSA-N 1 2 344.842 2.013 20 30 EEEDLO O=C(C1CC1)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001082972875 797775940 /nfs/dbraw/zinc/77/59/40/797775940.db2.gz WLLSNZJKYHETBB-ZWKOTPCHSA-N 1 2 344.842 2.013 20 30 EEEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[C@H](C4CCC4)CC3)[C@H]2C1 ZINC001083111202 797850896 /nfs/dbraw/zinc/85/08/96/797850896.db2.gz TWYVWNNDMZUVLE-CADBVGFASA-N 1 2 330.472 2.138 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[C@H](C4CCC4)CC3)[C@H]2C1 ZINC001083111202 797850903 /nfs/dbraw/zinc/85/09/03/797850903.db2.gz TWYVWNNDMZUVLE-CADBVGFASA-N 1 2 330.472 2.138 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3n[nH]nc3c2)[C@H]1C ZINC000994401813 797953213 /nfs/dbraw/zinc/95/32/13/797953213.db2.gz OITNSMSREMDXDZ-DGCLKSJQSA-N 1 2 333.823 2.293 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3n[nH]nc3c2)[C@H]1C ZINC000994401813 797953218 /nfs/dbraw/zinc/95/32/18/797953218.db2.gz OITNSMSREMDXDZ-DGCLKSJQSA-N 1 2 333.823 2.293 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)on1 ZINC001084184576 798035257 /nfs/dbraw/zinc/03/52/57/798035257.db2.gz PRSROQVKMOVHLP-IAGOWNOFSA-N 1 2 336.395 2.201 20 30 EEEDLO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)on1 ZINC001084184576 798035262 /nfs/dbraw/zinc/03/52/62/798035262.db2.gz PRSROQVKMOVHLP-IAGOWNOFSA-N 1 2 336.395 2.201 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]2O)C1 ZINC001083756112 798162829 /nfs/dbraw/zinc/16/28/29/798162829.db2.gz CSICWLUCUSTECB-CVEARBPZSA-N 1 2 334.847 2.358 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2O)C1 ZINC001083756112 798162831 /nfs/dbraw/zinc/16/28/31/798162831.db2.gz CSICWLUCUSTECB-CVEARBPZSA-N 1 2 334.847 2.358 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4cc[nH]n4)s3)[C@@H]2C1 ZINC001084430857 798200016 /nfs/dbraw/zinc/20/00/16/798200016.db2.gz DMWHXXSZSGJBSQ-UKRRQHHQSA-N 1 2 340.452 2.308 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4cc[nH]n4)s3)[C@@H]2C1 ZINC001084430857 798200018 /nfs/dbraw/zinc/20/00/18/798200018.db2.gz DMWHXXSZSGJBSQ-UKRRQHHQSA-N 1 2 340.452 2.308 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000917401857 798206133 /nfs/dbraw/zinc/20/61/33/798206133.db2.gz AHTOFXINAUAQLJ-UHFFFAOYSA-N 1 2 339.395 2.460 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(CC)[nH]c(=O)c3)[C@@H]2C1 ZINC001084525641 798255654 /nfs/dbraw/zinc/25/56/54/798255654.db2.gz SIPCLHKOKYIQCV-IUODEOHRSA-N 1 2 335.835 2.248 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(CC)[nH]c(=O)c3)[C@@H]2C1 ZINC001084525641 798255655 /nfs/dbraw/zinc/25/56/55/798255655.db2.gz SIPCLHKOKYIQCV-IUODEOHRSA-N 1 2 335.835 2.248 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc4n3CCCC4)[C@@H]2C1 ZINC001084603985 798303957 /nfs/dbraw/zinc/30/39/57/798303957.db2.gz VDSQVZDXDSEWTL-UKRRQHHQSA-N 1 2 334.851 2.118 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnc4n3CCCC4)[C@@H]2C1 ZINC001084603985 798303961 /nfs/dbraw/zinc/30/39/61/798303961.db2.gz VDSQVZDXDSEWTL-UKRRQHHQSA-N 1 2 334.851 2.118 20 30 EEEDLO CCN(CCNc1ccc(C#N)nc1)C(=O)c1cccc2[nH+]ccn21 ZINC001106889773 798390795 /nfs/dbraw/zinc/39/07/95/798390795.db2.gz DQKFMCBQJGXPQG-UHFFFAOYSA-N 1 2 334.383 2.175 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c4ncccc34)[C@@H]2C1 ZINC001084839123 798494651 /nfs/dbraw/zinc/49/46/51/798494651.db2.gz RSAGMOXIIDMSSN-IUODEOHRSA-N 1 2 330.819 2.462 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c4ncccc34)[C@@H]2C1 ZINC001084839123 798494653 /nfs/dbraw/zinc/49/46/53/798494653.db2.gz RSAGMOXIIDMSSN-IUODEOHRSA-N 1 2 330.819 2.462 20 30 EEEDLO C=CCCC(=O)NCc1cnn2c1C[N@H+](C[C@@H](OCC)C1CC1)CC2 ZINC001128259368 798572612 /nfs/dbraw/zinc/57/26/12/798572612.db2.gz ARQDIYQSDBDLTJ-GOSISDBHSA-N 1 2 346.475 2.096 20 30 EEEDLO C=CCCC(=O)NCc1cnn2c1C[N@@H+](C[C@@H](OCC)C1CC1)CC2 ZINC001128259368 798572616 /nfs/dbraw/zinc/57/26/16/798572616.db2.gz ARQDIYQSDBDLTJ-GOSISDBHSA-N 1 2 346.475 2.096 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2OCC[N@@H+](CCOC(C)C)[C@@H]2C1 ZINC001177061207 798722096 /nfs/dbraw/zinc/72/20/96/798722096.db2.gz JMTHUIVICADPRD-IAGOWNOFSA-N 1 2 338.492 2.315 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2OCC[N@H+](CCOC(C)C)[C@@H]2C1 ZINC001177061207 798722099 /nfs/dbraw/zinc/72/20/99/798722099.db2.gz JMTHUIVICADPRD-IAGOWNOFSA-N 1 2 338.492 2.315 20 30 EEEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCC3CC3)C[C@H]21 ZINC001177074968 798729987 /nfs/dbraw/zinc/72/99/87/798729987.db2.gz YYIBBEPRFIXWOB-QZTJIDSGSA-N 1 2 336.476 2.071 20 30 EEEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCC3CC3)C[C@H]21 ZINC001177074968 798729991 /nfs/dbraw/zinc/72/99/91/798729991.db2.gz YYIBBEPRFIXWOB-QZTJIDSGSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NCC[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001099647026 798756087 /nfs/dbraw/zinc/75/60/87/798756087.db2.gz VOAROKGZOYLLFK-LBPRGKRZSA-N 1 2 334.468 2.155 20 30 EEEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H](CC)O2)CC1 ZINC001002939170 798848801 /nfs/dbraw/zinc/84/88/01/798848801.db2.gz YPKLVODSIIOTTJ-KGLIPLIRSA-N 1 2 345.281 2.433 20 30 EEEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nc(-c2ccc(OC)cc2)no1 ZINC001128413861 799337174 /nfs/dbraw/zinc/33/71/74/799337174.db2.gz PBKIXKNERBJXIU-UHFFFAOYSA-N 1 2 344.415 2.307 20 30 EEEDLO C=C(C)CCC(=O)NCC[NH2+]Cc1nc(-c2ccccc2OC)no1 ZINC001128414384 799348785 /nfs/dbraw/zinc/34/87/85/799348785.db2.gz ZKPWGGHZWJPVMT-UHFFFAOYSA-N 1 2 344.415 2.307 20 30 EEEDLO C=C(C)CCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)/C=C(/C)CC)C2)CC1 ZINC001065704653 799352324 /nfs/dbraw/zinc/35/23/24/799352324.db2.gz PKTMCXKRDDKPDM-DNKLCNGGSA-N 1 2 347.503 2.444 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C3(C)CCC3)CC2)C1 ZINC001065706887 799356484 /nfs/dbraw/zinc/35/64/84/799356484.db2.gz OIKQRFAZDPINQQ-KRWDZBQOSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)CC)C2)CC1 ZINC001065689028 799361933 /nfs/dbraw/zinc/36/19/33/799361933.db2.gz TWDBFAKMMLWDDK-IAGOWNOFSA-N 1 2 349.519 2.380 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CCC3CCC3)CC2)C1 ZINC001065691930 799367590 /nfs/dbraw/zinc/36/75/90/799367590.db2.gz MVPWUGDXADQXEA-GOSISDBHSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)/C(C)=C\C)C2)CC1 ZINC001065697579 799380151 /nfs/dbraw/zinc/38/01/51/799380151.db2.gz BYQUDNKZJDHEAM-CVWPPMRVSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCOCCCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2noc(C)n2)[C@@H]1C ZINC001178434494 799449937 /nfs/dbraw/zinc/44/99/37/799449937.db2.gz KPPXBQJUOPPBHN-YDHLFZDLSA-N 1 2 336.436 2.001 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001065969056 799815772 /nfs/dbraw/zinc/81/57/72/799815772.db2.gz NONLIYPAZNLUPF-CQSZACIVSA-N 1 2 332.448 2.151 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@@H](O)C1 ZINC001090021647 799913211 /nfs/dbraw/zinc/91/32/11/799913211.db2.gz BZFQJMWQKGGOMP-OALUTQOASA-N 1 2 341.455 2.190 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@@H](O)C1 ZINC001090021647 799913216 /nfs/dbraw/zinc/91/32/16/799913216.db2.gz BZFQJMWQKGGOMP-OALUTQOASA-N 1 2 341.455 2.190 20 30 EEEDLO C=CCCC1(C(=O)NCc2cnn3c2C[N@H+](CCCOC)CC3)CC1 ZINC001128475917 799930502 /nfs/dbraw/zinc/93/05/02/799930502.db2.gz KRAXLQCSUWCXIG-UHFFFAOYSA-N 1 2 346.475 2.098 20 30 EEEDLO C=CCCC1(C(=O)NCc2cnn3c2C[N@@H+](CCCOC)CC3)CC1 ZINC001128475917 799930505 /nfs/dbraw/zinc/93/05/05/799930505.db2.gz KRAXLQCSUWCXIG-UHFFFAOYSA-N 1 2 346.475 2.098 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)[nH]n1 ZINC001032935153 800480518 /nfs/dbraw/zinc/48/05/18/800480518.db2.gz ITPGLSKLNVSROV-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)[nH]n1 ZINC001032935153 800480524 /nfs/dbraw/zinc/48/05/24/800480524.db2.gz ITPGLSKLNVSROV-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)n[nH]1 ZINC001032935153 800480529 /nfs/dbraw/zinc/48/05/29/800480529.db2.gz ITPGLSKLNVSROV-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)n[nH]1 ZINC001032935153 800480531 /nfs/dbraw/zinc/48/05/31/800480531.db2.gz ITPGLSKLNVSROV-HNNXBMFYSA-N 1 2 341.390 2.075 20 30 EEEDLO CN(C(=O)c1ccnc(F)c1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001032947930 800484478 /nfs/dbraw/zinc/48/44/78/800484478.db2.gz QZOQRMKGLWAEML-KRWDZBQOSA-N 1 2 338.386 2.439 20 30 EEEDLO CN(C(=O)c1ccnc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001032947930 800484480 /nfs/dbraw/zinc/48/44/80/800484480.db2.gz QZOQRMKGLWAEML-KRWDZBQOSA-N 1 2 338.386 2.439 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2nc3ccccn3c2F)CC1 ZINC001003905451 800499959 /nfs/dbraw/zinc/49/99/59/800499959.db2.gz SFSYOLWYZOGJGM-UHFFFAOYSA-N 1 2 336.798 2.420 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)c(C)s1 ZINC001033024092 800902670 /nfs/dbraw/zinc/90/26/70/800902670.db2.gz STCLILVMRDATGC-HNNXBMFYSA-N 1 2 343.456 2.306 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)c(C)s1 ZINC001033024092 800902673 /nfs/dbraw/zinc/90/26/73/800902673.db2.gz STCLILVMRDATGC-HNNXBMFYSA-N 1 2 343.456 2.306 20 30 EEEDLO COC1CC(C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001085659712 800998700 /nfs/dbraw/zinc/99/87/00/800998700.db2.gz AVYVHXPZEJYLIL-ADKAHSJRSA-N 1 2 327.428 2.016 20 30 EEEDLO COC1CC(C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccccc2C#N)C1 ZINC001085659712 800998703 /nfs/dbraw/zinc/99/87/03/800998703.db2.gz AVYVHXPZEJYLIL-ADKAHSJRSA-N 1 2 327.428 2.016 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cccnc2C(F)F)C1 ZINC001108065420 801086704 /nfs/dbraw/zinc/08/67/04/801086704.db2.gz UELBPUJMGHCNFV-INIZCTEOSA-N 1 2 325.359 2.026 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cccnc2C(F)F)C1 ZINC001108065420 801086713 /nfs/dbraw/zinc/08/67/13/801086713.db2.gz UELBPUJMGHCNFV-INIZCTEOSA-N 1 2 325.359 2.026 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1occc1Br ZINC001085878719 801517717 /nfs/dbraw/zinc/51/77/17/801517717.db2.gz KTIPJCZGVUFMBD-NSHDSACASA-N 1 2 325.206 2.212 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1occc1Br ZINC001085878719 801517723 /nfs/dbraw/zinc/51/77/23/801517723.db2.gz KTIPJCZGVUFMBD-NSHDSACASA-N 1 2 325.206 2.212 20 30 EEEDLO Cc1nsc(NCCCC[C@@H](C)NC(=O)Cn2cc[nH+]c2)c1C#N ZINC001090097155 801559898 /nfs/dbraw/zinc/55/98/98/801559898.db2.gz HUQYDPSGIWJRNU-GFCCVEGCSA-N 1 2 346.460 2.307 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001033096888 801591671 /nfs/dbraw/zinc/59/16/71/801591671.db2.gz PIAAQNMGWDVYJM-OAHLLOKOSA-N 1 2 336.867 2.047 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001033096888 801591676 /nfs/dbraw/zinc/59/16/76/801591676.db2.gz PIAAQNMGWDVYJM-OAHLLOKOSA-N 1 2 336.867 2.047 20 30 EEEDLO CN(CC1COC1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183832829 801762243 /nfs/dbraw/zinc/76/22/43/801762243.db2.gz YBHZNQHSISVSPA-GOSISDBHSA-N 1 2 327.428 2.018 20 30 EEEDLO CN(CC1COC1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183832829 801762250 /nfs/dbraw/zinc/76/22/50/801762250.db2.gz YBHZNQHSISVSPA-GOSISDBHSA-N 1 2 327.428 2.018 20 30 EEEDLO Cc1nc[nH]c1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001086002556 801902431 /nfs/dbraw/zinc/90/24/31/801902431.db2.gz MAVNYGRIWDCDII-KRWDZBQOSA-N 1 2 340.402 2.055 20 30 EEEDLO Cc1nc[nH]c1C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001086002556 801902436 /nfs/dbraw/zinc/90/24/36/801902436.db2.gz MAVNYGRIWDCDII-KRWDZBQOSA-N 1 2 340.402 2.055 20 30 EEEDLO CC(C)c1n[nH]cc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004482052 802169401 /nfs/dbraw/zinc/16/94/01/802169401.db2.gz OUZKAWYMEOSDBR-INIZCTEOSA-N 1 2 329.448 2.373 20 30 EEEDLO CC(C)c1n[nH]cc1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004482052 802169404 /nfs/dbraw/zinc/16/94/04/802169404.db2.gz OUZKAWYMEOSDBR-INIZCTEOSA-N 1 2 329.448 2.373 20 30 EEEDLO CC(C)c1n[nH]cc1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004482063 802170437 /nfs/dbraw/zinc/17/04/37/802170437.db2.gz OUZKAWYMEOSDBR-MRXNPFEDSA-N 1 2 329.448 2.373 20 30 EEEDLO CC(C)c1n[nH]cc1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004482063 802170442 /nfs/dbraw/zinc/17/04/42/802170442.db2.gz OUZKAWYMEOSDBR-MRXNPFEDSA-N 1 2 329.448 2.373 20 30 EEEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2onc3c2CCCC3)CC1 ZINC001004484902 802187438 /nfs/dbraw/zinc/18/74/38/802187438.db2.gz NCFMGXOCCUMDIL-KRWDZBQOSA-N 1 2 342.443 2.394 20 30 EEEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2onc3c2CCCC3)CC1 ZINC001004484902 802187445 /nfs/dbraw/zinc/18/74/45/802187445.db2.gz NCFMGXOCCUMDIL-KRWDZBQOSA-N 1 2 342.443 2.394 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001066429922 802390255 /nfs/dbraw/zinc/39/02/55/802390255.db2.gz VUOSTZMYCBIKHX-HZPDHXFCSA-N 1 2 346.475 2.442 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ncc3n2CCCC3)CC1 ZINC001004622068 802483588 /nfs/dbraw/zinc/48/35/88/802483588.db2.gz VVUBDHPZHFUAIS-QGZVFWFLSA-N 1 2 341.459 2.060 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ncc3n2CCCC3)CC1 ZINC001004622068 802483590 /nfs/dbraw/zinc/48/35/90/802483590.db2.gz VVUBDHPZHFUAIS-QGZVFWFLSA-N 1 2 341.459 2.060 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001108093574 802959974 /nfs/dbraw/zinc/95/99/74/802959974.db2.gz XTLITDMUTUELJJ-HXUWFJFHSA-N 1 2 328.456 2.500 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001108093574 802959980 /nfs/dbraw/zinc/95/99/80/802959980.db2.gz XTLITDMUTUELJJ-HXUWFJFHSA-N 1 2 328.456 2.500 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2CC[NH+](Cc3coc(C)n3)CC2)cn1 ZINC001006313744 803057131 /nfs/dbraw/zinc/05/71/31/803057131.db2.gz PXKAHLRGPGIJCP-UHFFFAOYSA-N 1 2 338.411 2.096 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cncc(C(F)(F)F)c2)C1 ZINC001108321664 803276111 /nfs/dbraw/zinc/27/61/11/803276111.db2.gz DGERKJAFGGSESO-OAHLLOKOSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cncc(C(F)(F)F)c2)C1 ZINC001108321664 803276114 /nfs/dbraw/zinc/27/61/14/803276114.db2.gz DGERKJAFGGSESO-OAHLLOKOSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]nc2-c2ccsc2)C1 ZINC001108311116 803280118 /nfs/dbraw/zinc/28/01/18/803280118.db2.gz XWABYXVZTZXEBF-KRWDZBQOSA-N 1 2 346.456 2.145 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]nc2-c2ccsc2)C1 ZINC001108311116 803280124 /nfs/dbraw/zinc/28/01/24/803280124.db2.gz XWABYXVZTZXEBF-KRWDZBQOSA-N 1 2 346.456 2.145 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@]2(C)CCOc3ccccc32)C1 ZINC001108344443 803340935 /nfs/dbraw/zinc/34/09/35/803340935.db2.gz OZBBMBZELSVEHQ-PMACEKPBSA-N 1 2 344.455 2.120 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@]2(C)CCOc3ccccc32)C1 ZINC001108344443 803340937 /nfs/dbraw/zinc/34/09/37/803340937.db2.gz OZBBMBZELSVEHQ-PMACEKPBSA-N 1 2 344.455 2.120 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)COc2ccccc2Cl)C1 ZINC001108393391 803442382 /nfs/dbraw/zinc/44/23/82/803442382.db2.gz PESROCOVPQSWIA-QGZVFWFLSA-N 1 2 338.835 2.112 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)COc2ccccc2Cl)C1 ZINC001108393391 803442386 /nfs/dbraw/zinc/44/23/86/803442386.db2.gz PESROCOVPQSWIA-QGZVFWFLSA-N 1 2 338.835 2.112 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001108405323 803475598 /nfs/dbraw/zinc/47/55/98/803475598.db2.gz YJKONSYPEJBJCQ-IBGZPJMESA-N 1 2 332.419 2.287 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001108405323 803475603 /nfs/dbraw/zinc/47/56/03/803475603.db2.gz YJKONSYPEJBJCQ-IBGZPJMESA-N 1 2 332.419 2.287 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](OCC)c2ccccc2)C1 ZINC001108434049 803564452 /nfs/dbraw/zinc/56/44/52/803564452.db2.gz MAACRUIVHVUVIZ-HKUYNNGSSA-N 1 2 332.444 2.157 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](OCC)c2ccccc2)C1 ZINC001108434049 803564456 /nfs/dbraw/zinc/56/44/56/803564456.db2.gz MAACRUIVHVUVIZ-HKUYNNGSSA-N 1 2 332.444 2.157 20 30 EEEDLO Cc1nsc(NC[C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)c1C#N ZINC001108721523 804423082 /nfs/dbraw/zinc/42/30/82/804423082.db2.gz KQFJSFMTZOXUAU-WDEREUQCSA-N 1 2 332.433 2.088 20 30 EEEDLO Cc1cn(C(C)(C)C(=O)N[C@@H](C)CNc2nc(C)ccc2C#N)c[nH+]1 ZINC001108763333 804453835 /nfs/dbraw/zinc/45/38/35/804453835.db2.gz BFFGMFWZXNYJGH-ZDUSSCGKSA-N 1 2 340.431 2.119 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC)C3)c1 ZINC001108868066 804626216 /nfs/dbraw/zinc/62/62/16/804626216.db2.gz NDBSPGDVXGALAE-SQNIBIBYSA-N 1 2 339.439 2.128 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC)C3)c1 ZINC001108868066 804626220 /nfs/dbraw/zinc/62/62/20/804626220.db2.gz NDBSPGDVXGALAE-SQNIBIBYSA-N 1 2 339.439 2.128 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc(C)sc1C ZINC001109267064 805214965 /nfs/dbraw/zinc/21/49/65/805214965.db2.gz KRVHKHSEAPJZFV-UTNFCUCBSA-N 1 2 347.484 2.020 20 30 EEEDLO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc(C)sc1C ZINC001109267064 805214969 /nfs/dbraw/zinc/21/49/69/805214969.db2.gz KRVHKHSEAPJZFV-UTNFCUCBSA-N 1 2 347.484 2.020 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(C3CCCCC3)n[nH]2)CC1 ZINC001112972718 807738213 /nfs/dbraw/zinc/73/82/13/807738213.db2.gz WSUCTLUROPJOEZ-UHFFFAOYSA-N 1 2 346.475 2.418 20 30 EEEDLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)[C@@H](C)Nc1cccc(F)c1C#N ZINC001112993278 807791616 /nfs/dbraw/zinc/79/16/16/807791616.db2.gz GERXXLIFYJMYIW-VXGBXAGGSA-N 1 2 329.379 2.358 20 30 EEEDLO C=CC[C@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccncc1 ZINC000789027232 807815958 /nfs/dbraw/zinc/81/59/58/807815958.db2.gz OVBSPGCYGZQFQQ-RDJZCZTQSA-N 1 2 332.448 2.061 20 30 EEEDLO C=CCCCC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2C)CC1 ZINC001113283398 808618577 /nfs/dbraw/zinc/61/85/77/808618577.db2.gz JKLYCQACZIMFGN-SFHVURJKSA-N 1 2 346.471 2.235 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(-c3cn[nH]c3)cc2)CC1 ZINC001113426240 808950303 /nfs/dbraw/zinc/95/03/03/808950303.db2.gz QJKOXAAAYKSTAC-UHFFFAOYSA-N 1 2 340.427 2.037 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@]2(C)CCc3ccccc32)CC1 ZINC001113700386 809602595 /nfs/dbraw/zinc/60/25/95/809602595.db2.gz YOLMHAAQUDITFK-HXUWFJFHSA-N 1 2 328.456 2.237 20 30 EEEDLO C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)N(C)c1ccncc1C#N ZINC001113970679 810131139 /nfs/dbraw/zinc/13/11/39/810131139.db2.gz VNYSXHRQQDWTGS-GFCCVEGCSA-N 1 2 334.383 2.084 20 30 EEEDLO Cc1cc(N2CC[C@H](C)[C@@H](NC(=O)C#CC3CC3)C2)nc(C2CC2)[nH+]1 ZINC001114022816 810201164 /nfs/dbraw/zinc/20/11/64/810201164.db2.gz YUYXOGQZZUNWFE-GUYCJALGSA-N 1 2 338.455 2.407 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(C(C)(C)C)n3)C[C@H]21 ZINC001114070067 810302253 /nfs/dbraw/zinc/30/22/53/810302253.db2.gz SOOFPMQYZTVRHL-SCUASFONSA-N 1 2 332.473 2.147 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(C(C)(C)C)n3)C[C@H]21 ZINC001114070067 810302258 /nfs/dbraw/zinc/30/22/58/810302258.db2.gz SOOFPMQYZTVRHL-SCUASFONSA-N 1 2 332.473 2.147 20 30 EEEDLO CCCC[C@@H](CNc1ccc(C#N)nc1)NC(=O)CCn1cc[nH+]c1 ZINC001114294236 810789521 /nfs/dbraw/zinc/78/95/21/810789521.db2.gz VTGYPPOXUPGNBG-KRWDZBQOSA-N 1 2 340.431 2.327 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)CCCCC)[C@@H](n2ccnn2)C1 ZINC001129466189 810856559 /nfs/dbraw/zinc/85/65/59/810856559.db2.gz YFEWEBDSLLWDOC-KSZLIROESA-N 1 2 345.491 2.249 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)CCCCC)[C@@H](n2ccnn2)C1 ZINC001129466189 810856566 /nfs/dbraw/zinc/85/65/66/810856566.db2.gz YFEWEBDSLLWDOC-KSZLIROESA-N 1 2 345.491 2.249 20 30 EEEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](CCC)C(C)C)CC1 ZINC001131387949 812773606 /nfs/dbraw/zinc/77/36/06/812773606.db2.gz DGIKXBOTDIDFAT-KRWDZBQOSA-N 1 2 337.508 2.285 20 30 EEEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](CCC)C(C)C)CC1 ZINC001131387949 812773610 /nfs/dbraw/zinc/77/36/10/812773610.db2.gz DGIKXBOTDIDFAT-KRWDZBQOSA-N 1 2 337.508 2.285 20 30 EEEDLO CC#CCCCC(=O)N1C[C@H](C)O[C@]2(CC[N@H+](Cc3ccon3)C2)C1 ZINC001131676635 813128716 /nfs/dbraw/zinc/12/87/16/813128716.db2.gz CBYYLSCQMZCCTA-LPHOPBHVSA-N 1 2 345.443 2.060 20 30 EEEDLO CC#CCCCC(=O)N1C[C@H](C)O[C@]2(CC[N@@H+](Cc3ccon3)C2)C1 ZINC001131676635 813128719 /nfs/dbraw/zinc/12/87/19/813128719.db2.gz CBYYLSCQMZCCTA-LPHOPBHVSA-N 1 2 345.443 2.060 20 30 EEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C)N(C)CC(F)(F)F ZINC001437616602 1090124455 /nfs/dbraw/zinc/12/44/55/1090124455.db2.gz LIMWGXJYZSKQNO-NSHDSACASA-N 1 2 329.794 2.060 20 30 EEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C)N(C)CC(F)(F)F ZINC001437616602 1090124457 /nfs/dbraw/zinc/12/44/57/1090124457.db2.gz LIMWGXJYZSKQNO-NSHDSACASA-N 1 2 329.794 2.060 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cc2c(cn1)OCCC2)C1CC1 ZINC001437815264 1090408711 /nfs/dbraw/zinc/40/87/11/1090408711.db2.gz NZAWHCOUVJVWPA-UHFFFAOYSA-N 1 2 335.835 2.353 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cc2c(cn1)OCCC2)C1CC1 ZINC001437815264 1090408715 /nfs/dbraw/zinc/40/87/15/1090408715.db2.gz NZAWHCOUVJVWPA-UHFFFAOYSA-N 1 2 335.835 2.353 20 30 EEEDLO C=C(Br)CN(C)CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001438923396 1091592175 /nfs/dbraw/zinc/59/21/75/1091592175.db2.gz ZQZCISCDTHBLAN-CYBMUJFWSA-N 1 2 343.269 2.133 20 30 EEEDLO Cc1noc([C@@H](C)[NH2+]CCN(Cc2ccccc2)C(=O)[C@@H](C)C#N)n1 ZINC001440128038 1093191271 /nfs/dbraw/zinc/19/12/71/1093191271.db2.gz NYEPSSLFOXIMIT-UONOGXRCSA-N 1 2 341.415 2.217 20 30 EEEDLO CS[C@@H](C)CC(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001443584889 1098077584 /nfs/dbraw/zinc/07/75/84/1098077584.db2.gz PLPHOOMGWGSUEE-LBPRGKRZSA-N 1 2 335.448 2.387 20 30 EEEDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(CNC(=O)[C@@H](C)C#N)cc2)o1 ZINC001495485030 1101196417 /nfs/dbraw/zinc/19/64/17/1101196417.db2.gz GQVSVFSEVBNHLD-NWDGAFQWSA-N 1 2 327.388 2.005 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(CNC(C)=O)cc1 ZINC001498332540 1107313013 /nfs/dbraw/zinc/31/30/13/1107313013.db2.gz QEZYMINJXSYPAI-ZDUSSCGKSA-N 1 2 337.851 2.125 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(CNC(C)=O)cc1 ZINC001498332540 1107313029 /nfs/dbraw/zinc/31/30/29/1107313029.db2.gz QEZYMINJXSYPAI-ZDUSSCGKSA-N 1 2 337.851 2.125 20 30 EEEDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ncc(C#N)cc2Cl)CC1 ZINC001465457190 1110417812 /nfs/dbraw/zinc/41/78/12/1110417812.db2.gz DSNBAWNOVWPMMI-UHFFFAOYSA-N 1 2 342.777 2.408 20 30 EEEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ncc(C#N)cc2Cl)CC1 ZINC001465457190 1110417814 /nfs/dbraw/zinc/41/78/14/1110417814.db2.gz DSNBAWNOVWPMMI-UHFFFAOYSA-N 1 2 342.777 2.408 20 30 EEEDLO Cn1cc[nH+]c1CCC(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC001519769191 1119104614 /nfs/dbraw/zinc/10/46/14/1119104614.db2.gz LJDREKLJPPUMBS-CYBMUJFWSA-N 1 2 347.216 2.496 20 30 EEEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCO[C@H](CCC)C1 ZINC001520325651 1119146381 /nfs/dbraw/zinc/14/63/81/1119146381.db2.gz KMPDLZNASBNRAL-MRXNPFEDSA-N 1 2 333.480 2.455 20 30 EEEDLO CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000187202196 529983724 /nfs/dbraw/zinc/98/37/24/529983724.db2.gz CGVBOJHUPLOIFT-SFHVURJKSA-N 1 2 327.428 2.018 20 30 EEEDLO CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000187202196 529983725 /nfs/dbraw/zinc/98/37/25/529983725.db2.gz CGVBOJHUPLOIFT-SFHVURJKSA-N 1 2 327.428 2.018 20 30 EEEDLO CC(C)N1CC[C@H](NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1=O ZINC000329704870 539781302 /nfs/dbraw/zinc/78/13/02/539781302.db2.gz JSHBPUIZVOPTNU-PBHICJAKSA-N 1 2 329.444 2.399 20 30 EEEDLO CC(C)N1CC[C@H](NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)C1=O ZINC000329704870 539781303 /nfs/dbraw/zinc/78/13/03/539781303.db2.gz JSHBPUIZVOPTNU-PBHICJAKSA-N 1 2 329.444 2.399 20 30 EEEDLO COCC[NH+](CCOC)Cc1ccc(C#N)cc1Br ZINC000180909523 234027744 /nfs/dbraw/zinc/02/77/44/234027744.db2.gz NFHMHOHSJBXTNU-UHFFFAOYSA-N 1 2 327.222 2.416 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2coc(C(F)(F)F)n2)C1 ZINC000970058429 675433748 /nfs/dbraw/zinc/43/37/48/675433748.db2.gz RNKYDELTMTZBKS-MRVPVSSYSA-N 1 2 337.729 2.496 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2coc(C(F)(F)F)n2)C1 ZINC000970058431 675433796 /nfs/dbraw/zinc/43/37/96/675433796.db2.gz RNKYDELTMTZBKS-QMMMGPOBSA-N 1 2 337.729 2.496 20 30 EEEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000088524334 237017247 /nfs/dbraw/zinc/01/72/47/237017247.db2.gz SHLNIGNZETVHAG-HKUYNNGSSA-N 1 2 340.471 2.270 20 30 EEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](CC(N)=O)C(C)(C)C)c1C ZINC000131373992 237206024 /nfs/dbraw/zinc/20/60/24/237206024.db2.gz BPBRFNQKLKOHBS-UHFFFAOYSA-N 1 2 344.459 2.136 20 30 EEEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](CC(N)=O)C(C)(C)C)c1C ZINC000131373992 237206033 /nfs/dbraw/zinc/20/60/33/237206033.db2.gz BPBRFNQKLKOHBS-UHFFFAOYSA-N 1 2 344.459 2.136 20 30 EEEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000446771633 242220976 /nfs/dbraw/zinc/22/09/76/242220976.db2.gz ZKVOZIFTQSBENW-UHFFFAOYSA-N 1 2 333.395 2.156 20 30 EEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C(C)C)C2COC2)cc1 ZINC000451115615 243004875 /nfs/dbraw/zinc/00/48/75/243004875.db2.gz OXKLOQRSWNGKOC-UHFFFAOYSA-N 1 2 345.443 2.441 20 30 EEEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C(C)C)C2COC2)cc1 ZINC000451115615 243004876 /nfs/dbraw/zinc/00/48/76/243004876.db2.gz OXKLOQRSWNGKOC-UHFFFAOYSA-N 1 2 345.443 2.441 20 30 EEEDLO C=CCC[C@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C(=O)OCC ZINC000456609662 244301125 /nfs/dbraw/zinc/30/11/25/244301125.db2.gz OYHWLHRKURDVAZ-OAGGEKHMSA-N 1 2 345.443 2.168 20 30 EEEDLO C#CCN(C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1)C1CC1 ZINC000491556067 246073027 /nfs/dbraw/zinc/07/30/27/246073027.db2.gz VWLBRQWYSCHVKV-IBGZPJMESA-N 1 2 341.455 2.176 20 30 EEEDLO C#CCN(CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C1CC1 ZINC000491689224 246113838 /nfs/dbraw/zinc/11/38/38/246113838.db2.gz HKELNBMKDIOUFD-UHFFFAOYSA-N 1 2 346.500 2.411 20 30 EEEDLO CCc1ncc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)s1 ZINC000264336114 246368089 /nfs/dbraw/zinc/36/80/89/246368089.db2.gz ONNCTAKVFYCUGS-LBPRGKRZSA-N 1 2 328.445 2.078 20 30 EEEDLO CCc1ncc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)s1 ZINC000264336114 246368094 /nfs/dbraw/zinc/36/80/94/246368094.db2.gz ONNCTAKVFYCUGS-LBPRGKRZSA-N 1 2 328.445 2.078 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000268671637 252124773 /nfs/dbraw/zinc/12/47/73/252124773.db2.gz LYIWYYURCDQDET-LJQANCHMSA-N 1 2 340.427 2.014 20 30 EEEDLO Cc1oc(NC(=O)C[NH2+][C@H](CO)c2c(F)cccc2F)c(C#N)c1C ZINC000273161233 256271695 /nfs/dbraw/zinc/27/16/95/256271695.db2.gz ZLOLXZOGPDEPLB-CQSZACIVSA-N 1 2 349.337 2.308 20 30 EEEDLO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1noc(C2CCCCC2)n1 ZINC000089943339 292215154 /nfs/dbraw/zinc/21/51/54/292215154.db2.gz LFSKBTQWUBULEH-UHFFFAOYSA-N 1 2 343.435 2.359 20 30 EEEDLO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1noc(C2CCCCC2)n1 ZINC000089943339 292215156 /nfs/dbraw/zinc/21/51/56/292215156.db2.gz LFSKBTQWUBULEH-UHFFFAOYSA-N 1 2 343.435 2.359 20 30 EEEDLO N#Cc1ccc(NC(=O)C[NH+]2CCN(c3cccc(O)c3)CC2)cc1 ZINC000172926365 152131706 /nfs/dbraw/zinc/13/17/06/152131706.db2.gz XINKVRUSOBWLNJ-UHFFFAOYSA-N 1 2 336.395 2.025 20 30 EEEDLO Cc1nc(SCC(=O)NCCCn2cc[nH+]c2)c(C#N)c(C)c1C ZINC000072576136 159042028 /nfs/dbraw/zinc/04/20/28/159042028.db2.gz LSEOLLARBQEZEV-UHFFFAOYSA-N 1 2 343.456 2.374 20 30 EEEDLO CCOC(=O)N1CCC[N@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000194862509 160201234 /nfs/dbraw/zinc/20/12/34/160201234.db2.gz TXUSTWMCYWMZAM-UHFFFAOYSA-N 1 2 326.400 2.475 20 30 EEEDLO CCOC(=O)N1CCC[N@@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000194862509 160201236 /nfs/dbraw/zinc/20/12/36/160201236.db2.gz TXUSTWMCYWMZAM-UHFFFAOYSA-N 1 2 326.400 2.475 20 30 EEEDLO C[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000247294151 160318639 /nfs/dbraw/zinc/31/86/39/160318639.db2.gz FEYXYLNJVXHJDU-UKRRQHHQSA-N 1 2 330.413 2.027 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)COCc3ccco3)CCO2)c1 ZINC000341800403 161014116 /nfs/dbraw/zinc/01/41/16/161014116.db2.gz SDHGZGIQWAUXDN-HKUYNNGSSA-N 1 2 342.395 2.102 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)COCc3ccco3)CCO2)c1 ZINC000341800403 161014117 /nfs/dbraw/zinc/01/41/17/161014117.db2.gz SDHGZGIQWAUXDN-HKUYNNGSSA-N 1 2 342.395 2.102 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000346474966 161375580 /nfs/dbraw/zinc/37/55/80/161375580.db2.gz BUNINVJGZCSEQU-PBHICJAKSA-N 1 2 336.395 2.434 20 30 EEEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000346474966 161375581 /nfs/dbraw/zinc/37/55/81/161375581.db2.gz BUNINVJGZCSEQU-PBHICJAKSA-N 1 2 336.395 2.434 20 30 EEEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)n1 ZINC000356286801 163393135 /nfs/dbraw/zinc/39/31/35/163393135.db2.gz XFSPDYJLWLIPTC-LBPRGKRZSA-N 1 2 330.413 2.250 20 30 EEEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)n1 ZINC000356286801 163393138 /nfs/dbraw/zinc/39/31/38/163393138.db2.gz XFSPDYJLWLIPTC-LBPRGKRZSA-N 1 2 330.413 2.250 20 30 EEEDLO Cn1nc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C1CC1 ZINC000359120931 164064114 /nfs/dbraw/zinc/06/41/14/164064114.db2.gz MHGJNPZFRQCOLC-UHFFFAOYSA-N 1 2 349.438 2.127 20 30 EEEDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000360543726 164333448 /nfs/dbraw/zinc/33/34/48/164333448.db2.gz NUTBQIDXHCFGEW-WCQYABFASA-N 1 2 335.429 2.222 20 30 EEEDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000360543726 164333451 /nfs/dbraw/zinc/33/34/51/164333451.db2.gz NUTBQIDXHCFGEW-WCQYABFASA-N 1 2 335.429 2.222 20 30 EEEDLO C[C@H]1COc2ccccc2C[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000374678456 167045276 /nfs/dbraw/zinc/04/52/76/167045276.db2.gz LABPJSDQDXBEMQ-HNNXBMFYSA-N 1 2 335.407 2.458 20 30 EEEDLO C[C@H]1COc2ccccc2C[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000374678456 167045278 /nfs/dbraw/zinc/04/52/78/167045278.db2.gz LABPJSDQDXBEMQ-HNNXBMFYSA-N 1 2 335.407 2.458 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000188273553 269928780 /nfs/dbraw/zinc/92/87/80/269928780.db2.gz WXNNXSNBHLPRDR-UHFFFAOYSA-N 1 2 342.374 2.260 20 30 EEEDLO CC(C)c1ncc(C[N@H+](C)CC(=O)NCc2cccc(C#N)c2)cn1 ZINC000440471963 270020634 /nfs/dbraw/zinc/02/06/34/270020634.db2.gz RXOIXFOAMCUUKW-UHFFFAOYSA-N 1 2 337.427 2.220 20 30 EEEDLO CC(C)c1ncc(C[N@@H+](C)CC(=O)NCc2cccc(C#N)c2)cn1 ZINC000440471963 270020635 /nfs/dbraw/zinc/02/06/35/270020635.db2.gz RXOIXFOAMCUUKW-UHFFFAOYSA-N 1 2 337.427 2.220 20 30 EEEDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000534471193 270022913 /nfs/dbraw/zinc/02/29/13/270022913.db2.gz YKZUUDLWMLKNBA-AWEZNQCLSA-N 1 2 330.384 2.120 20 30 EEEDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000534471193 270022914 /nfs/dbraw/zinc/02/29/14/270022914.db2.gz YKZUUDLWMLKNBA-AWEZNQCLSA-N 1 2 330.384 2.120 20 30 EEEDLO CC(C)n1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 ZINC000290097269 265939618 /nfs/dbraw/zinc/93/96/18/265939618.db2.gz JYFQGTNOUVEJBN-QGZVFWFLSA-N 1 2 338.415 2.016 20 30 EEEDLO CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H](C)CS(C)(=O)=O ZINC000437136603 267069688 /nfs/dbraw/zinc/06/96/88/267069688.db2.gz KPWWEBHPLANFFW-LLVKDONJSA-N 1 2 346.399 2.415 20 30 EEEDLO CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H](C)CS(C)(=O)=O ZINC000437136603 267069689 /nfs/dbraw/zinc/06/96/89/267069689.db2.gz KPWWEBHPLANFFW-LLVKDONJSA-N 1 2 346.399 2.415 20 30 EEEDLO CCOC(=O)[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)CC ZINC000411475735 267132523 /nfs/dbraw/zinc/13/25/23/267132523.db2.gz FNVWPAPMFMUNFH-GUYCJALGSA-N 1 2 331.416 2.454 20 30 EEEDLO C[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000155369299 267158626 /nfs/dbraw/zinc/15/86/26/267158626.db2.gz NYNLZNRGIQHNHU-CQSZACIVSA-N 1 2 326.400 2.365 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)cc1 ZINC000442623474 268220953 /nfs/dbraw/zinc/22/09/53/268220953.db2.gz XLEQJFORQOPUFS-UHFFFAOYSA-N 1 2 346.390 2.094 20 30 EEEDLO N#Cc1ccnc(N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)n1 ZINC000295658943 268295429 /nfs/dbraw/zinc/29/54/29/268295429.db2.gz HWFACOPZDNUUAO-HNNXBMFYSA-N 1 2 336.399 2.001 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277635932 269165962 /nfs/dbraw/zinc/16/59/62/269165962.db2.gz BTXIHABRVLCIIW-CMPLNLGQSA-N 1 2 347.362 2.193 20 30 EEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277635932 269165963 /nfs/dbraw/zinc/16/59/63/269165963.db2.gz BTXIHABRVLCIIW-CMPLNLGQSA-N 1 2 347.362 2.193 20 30 EEEDLO CC(C)(C)OC(=O)C1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000360287305 278371432 /nfs/dbraw/zinc/37/14/32/278371432.db2.gz SYHPATOQLAAVRC-MRXNPFEDSA-N 1 2 343.427 2.138 20 30 EEEDLO CCN1CCN(c2cccc(C#N)c2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000450493958 279374921 /nfs/dbraw/zinc/37/49/21/279374921.db2.gz HSUQJQZTIXYKBL-AWEZNQCLSA-N 1 2 326.360 2.073 20 30 EEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000125705728 303181364 /nfs/dbraw/zinc/18/13/64/303181364.db2.gz DQVHUYDYRGYZCY-UHFFFAOYSA-N 1 2 335.772 2.194 20 30 EEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000170738546 311395410 /nfs/dbraw/zinc/39/54/10/311395410.db2.gz NWKMLJKYHVBFQA-GFCCVEGCSA-N 1 2 348.834 2.128 20 30 EEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000170738546 311395411 /nfs/dbraw/zinc/39/54/11/311395411.db2.gz NWKMLJKYHVBFQA-GFCCVEGCSA-N 1 2 348.834 2.128 20 30 EEEDLO COc1cccc([C@@H]2[C@H]([NH2+]Cc3ncc(C#N)cn3)CCN2C2CC2)c1 ZINC000563617023 319030485 /nfs/dbraw/zinc/03/04/85/319030485.db2.gz YHDMVSBIFGSAQC-UYAOXDASSA-N 1 2 349.438 2.424 20 30 EEEDLO CCn1nncc1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000582286717 324420616 /nfs/dbraw/zinc/42/06/16/324420616.db2.gz CIWZLKJBNIDWEA-UHFFFAOYSA-N 1 2 347.426 2.040 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](CO)C1 ZINC000193172895 465027754 /nfs/dbraw/zinc/02/77/54/465027754.db2.gz XLUZNIXGODSEIV-NEPJUHHUSA-N 1 2 333.457 2.140 20 30 EEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](CO)C1 ZINC000193172895 465027755 /nfs/dbraw/zinc/02/77/55/465027755.db2.gz XLUZNIXGODSEIV-NEPJUHHUSA-N 1 2 333.457 2.140 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)C2 ZINC000333735127 465030122 /nfs/dbraw/zinc/03/01/22/465030122.db2.gz LONGCFIFWDSETH-BFHYXJOUSA-N 1 2 329.448 2.487 20 30 EEEDLO CC(C)[C@@H](C#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000347492682 465055855 /nfs/dbraw/zinc/05/58/55/465055855.db2.gz KEXOTYKMJZZTKW-MRXNPFEDSA-N 1 2 339.399 2.190 20 30 EEEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000336891078 465083966 /nfs/dbraw/zinc/08/39/66/465083966.db2.gz PDFHYPBWCDCEAO-QUCCMNQESA-N 1 2 338.407 2.371 20 30 EEEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000336891078 465083974 /nfs/dbraw/zinc/08/39/74/465083974.db2.gz PDFHYPBWCDCEAO-QUCCMNQESA-N 1 2 338.407 2.371 20 30 EEEDLO C[C@@H]1C[C@H](C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCC1=O ZINC000328907632 465163209 /nfs/dbraw/zinc/16/32/09/465163209.db2.gz CGIMFESVDCJIBJ-CPUCHLNUSA-N 1 2 340.489 2.156 20 30 EEEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000328989096 465194859 /nfs/dbraw/zinc/19/48/59/465194859.db2.gz FDQQQVXZUVSXPU-QGZVFWFLSA-N 1 2 345.443 2.234 20 30 EEEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000328989096 465194864 /nfs/dbraw/zinc/19/48/64/465194864.db2.gz FDQQQVXZUVSXPU-QGZVFWFLSA-N 1 2 345.443 2.234 20 30 EEEDLO C=CCN1CC[C@H]([NH+]2CCN(C(=O)CCC3CCCCC3)CC2)C1=O ZINC000337141505 465211654 /nfs/dbraw/zinc/21/16/54/465211654.db2.gz SITYWZGESPKKEI-SFHVURJKSA-N 1 2 347.503 2.278 20 30 EEEDLO O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)N1CCn2cc[nH+]c2C1 ZINC000329185650 465260985 /nfs/dbraw/zinc/26/09/85/465260985.db2.gz ANPLPGBIZOAURU-ZBFHGGJFSA-N 1 2 348.353 2.421 20 30 EEEDLO C=CCN(CC=C)C(=O)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000297658953 465266109 /nfs/dbraw/zinc/26/61/09/465266109.db2.gz YTVMCGAVVOFZFV-OAHLLOKOSA-N 1 2 347.484 2.154 20 30 EEEDLO N#Cc1ccc(-n2ccc(NC(=O)CCc3c[nH+]c[nH]3)n2)c(Cl)c1 ZINC000355858980 465276868 /nfs/dbraw/zinc/27/68/68/465276868.db2.gz FIXIQNOFRFZBLY-UHFFFAOYSA-N 1 2 340.774 2.692 20 30 EEEDLO N#Cc1ccc(-n2ccc(NC(=O)CCc3c[nH]c[nH+]3)n2)c(Cl)c1 ZINC000355858980 465276876 /nfs/dbraw/zinc/27/68/76/465276876.db2.gz FIXIQNOFRFZBLY-UHFFFAOYSA-N 1 2 340.774 2.692 20 30 EEEDLO Cc1cn2cc(NC(=O)N3CCOC[C@@H]3[C@H]3CCCO3)ccc2[nH+]1 ZINC000329254772 465281674 /nfs/dbraw/zinc/28/16/74/465281674.db2.gz AKPOCTNEZWHVNJ-HUUCEWRRSA-N 1 2 330.388 2.068 20 30 EEEDLO Cc1nnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)c1C ZINC000298151070 465316184 /nfs/dbraw/zinc/31/61/84/465316184.db2.gz GVQSHGILHSIZOV-KRWDZBQOSA-N 1 2 337.427 2.278 20 30 EEEDLO Cc1nnc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)c1C ZINC000298151070 465316176 /nfs/dbraw/zinc/31/61/76/465316176.db2.gz GVQSHGILHSIZOV-KRWDZBQOSA-N 1 2 337.427 2.278 20 30 EEEDLO C#CC[NH+]1CCN(c2ncnc3cc(F)c(Br)cc32)CC1 ZINC000490947983 468274267 /nfs/dbraw/zinc/27/42/67/468274267.db2.gz BYASBXYEKDSEFA-UHFFFAOYSA-N 1 2 349.207 2.287 20 30 EEEDLO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329564377 465373957 /nfs/dbraw/zinc/37/39/57/465373957.db2.gz KCCXVUVGILMSIJ-NKKGCODLSA-N 1 2 343.427 2.086 20 30 EEEDLO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329564377 465373960 /nfs/dbraw/zinc/37/39/60/465373960.db2.gz KCCXVUVGILMSIJ-NKKGCODLSA-N 1 2 343.427 2.086 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(C(=O)OC)c(CC)o2)n1 ZINC000491069612 468295310 /nfs/dbraw/zinc/29/53/10/468295310.db2.gz XHGSJQBXAHWMQO-UHFFFAOYSA-N 1 2 329.400 2.480 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(C(=O)OC)c(CC)o2)n1 ZINC000491069612 468295314 /nfs/dbraw/zinc/29/53/14/468295314.db2.gz XHGSJQBXAHWMQO-UHFFFAOYSA-N 1 2 329.400 2.480 20 30 EEEDLO N#CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000061584826 462589584 /nfs/dbraw/zinc/58/95/84/462589584.db2.gz FPCUYQIPAGUIEI-UHFFFAOYSA-N 1 2 325.328 2.156 20 30 EEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000114738686 462677838 /nfs/dbraw/zinc/67/78/38/462677838.db2.gz MIEMNWHOKOUWRD-UHFFFAOYSA-N 1 2 330.413 2.089 20 30 EEEDLO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000153856046 462700477 /nfs/dbraw/zinc/70/04/77/462700477.db2.gz IRMPTNRZFPHYNV-PKOBYXMFSA-N 1 2 340.471 2.270 20 30 EEEDLO CCCNC(=O)C[N@H+](CCC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075643241 462743929 /nfs/dbraw/zinc/74/39/29/462743929.db2.gz MJZBEZAEVDKRSP-UHFFFAOYSA-N 1 2 341.415 2.346 20 30 EEEDLO CCCNC(=O)C[N@@H+](CCC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075643241 462743930 /nfs/dbraw/zinc/74/39/30/462743930.db2.gz MJZBEZAEVDKRSP-UHFFFAOYSA-N 1 2 341.415 2.346 20 30 EEEDLO C[C@H](Sc1[nH+]cnc2c1cnn2C)C(=O)Nc1cccc(C#N)c1 ZINC000011679908 462837154 /nfs/dbraw/zinc/83/71/54/462837154.db2.gz HCRMTUWVQGYMIQ-JTQLQIEISA-N 1 2 338.396 2.354 20 30 EEEDLO CC[N@@H+](CC(=O)NCc1ccc(OC(F)F)cc1)C[C@@H](C)C#N ZINC000066424234 462888462 /nfs/dbraw/zinc/88/84/62/462888462.db2.gz WCQOVGREVXFMDA-LBPRGKRZSA-N 1 2 325.359 2.386 20 30 EEEDLO CC[N@H+](CC(=O)NCc1ccc(OC(F)F)cc1)C[C@@H](C)C#N ZINC000066424234 462888468 /nfs/dbraw/zinc/88/84/68/462888468.db2.gz WCQOVGREVXFMDA-LBPRGKRZSA-N 1 2 325.359 2.386 20 30 EEEDLO C#CC[N@@H+](Cc1nnc2n1c1ccsc1c(=O)n2C)C1CCCC1 ZINC000155874704 462954220 /nfs/dbraw/zinc/95/42/20/462954220.db2.gz SCRFVNKAEOEQBI-UHFFFAOYSA-N 1 2 341.440 2.021 20 30 EEEDLO CCCc1nc(CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)no1 ZINC000067098939 462965196 /nfs/dbraw/zinc/96/51/96/462965196.db2.gz HLRWYZMLGDPZAI-UHFFFAOYSA-N 1 2 344.419 2.245 20 30 EEEDLO N#Cc1cc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)ccc1F ZINC000077500304 462995761 /nfs/dbraw/zinc/99/57/61/462995761.db2.gz QBVFUDNWILTGDL-UHFFFAOYSA-N 1 2 339.374 2.442 20 30 EEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000023376454 463066471 /nfs/dbraw/zinc/06/64/71/463066471.db2.gz ORRVRXWIVDHTRY-CYBMUJFWSA-N 1 2 339.842 2.287 20 30 EEEDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000157143339 463101979 /nfs/dbraw/zinc/10/19/79/463101979.db2.gz PDKXACHTSIQQNK-DOMZBBRYSA-N 1 2 329.318 2.018 20 30 EEEDLO C[C@@H]1CO[C@H](CO)C[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000157143339 463101984 /nfs/dbraw/zinc/10/19/84/463101984.db2.gz PDKXACHTSIQQNK-DOMZBBRYSA-N 1 2 329.318 2.018 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2cccs2)CC1 ZINC000121259464 463106004 /nfs/dbraw/zinc/10/60/04/463106004.db2.gz SEPYLOVFPWZHON-RHSMWYFYSA-N 1 2 334.489 2.313 20 30 EEEDLO C#CCN(C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1)C1CC1 ZINC000491277864 468340335 /nfs/dbraw/zinc/34/03/35/468340335.db2.gz QROODQIDUGZBTA-IBGZPJMESA-N 1 2 341.455 2.176 20 30 EEEDLO COC(=O)c1ccc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026323390 463159264 /nfs/dbraw/zinc/15/92/64/463159264.db2.gz YUEDZEJZZKXAAB-UHFFFAOYSA-N 1 2 337.379 2.415 20 30 EEEDLO COC(=O)c1ccc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026323390 463159267 /nfs/dbraw/zinc/15/92/67/463159267.db2.gz YUEDZEJZZKXAAB-UHFFFAOYSA-N 1 2 337.379 2.415 20 30 EEEDLO C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000079610876 463234858 /nfs/dbraw/zinc/23/48/58/463234858.db2.gz HKDRMHVXZGRZHG-HNNXBMFYSA-N 1 2 335.423 2.244 20 30 EEEDLO C=C[C@@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000122728429 463288153 /nfs/dbraw/zinc/28/81/53/463288153.db2.gz UGAUOCAMHPDFIZ-SFHVURJKSA-N 1 2 341.455 2.421 20 30 EEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000080162412 463289095 /nfs/dbraw/zinc/28/90/95/463289095.db2.gz AUVDCGVJFNIUPN-UHFFFAOYSA-N 1 2 338.358 2.045 20 30 EEEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)C1 ZINC000070793413 463385728 /nfs/dbraw/zinc/38/57/28/463385728.db2.gz AKSGJUCMGPYBKU-IRXDYDNUSA-N 1 2 340.471 2.185 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)Nc2ccc3c(c2)CCC3)cs1 ZINC000148807692 463403337 /nfs/dbraw/zinc/40/33/37/463403337.db2.gz RAUDBOVWYFQAJJ-UHFFFAOYSA-N 1 2 344.440 2.410 20 30 EEEDLO COC(=O)c1ccc(CO[NH+]=C(N)Cc2csc(C)n2)cc1F ZINC000151215796 463494683 /nfs/dbraw/zinc/49/46/83/463494683.db2.gz JAGLWJLILGUSPR-UHFFFAOYSA-N 1 2 337.376 2.409 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000329736941 465421237 /nfs/dbraw/zinc/42/12/37/465421237.db2.gz LUPGZCLYRFGVIJ-CPUCHLNUSA-N 1 2 344.390 2.128 20 30 EEEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000329736941 465421242 /nfs/dbraw/zinc/42/12/42/465421242.db2.gz LUPGZCLYRFGVIJ-CPUCHLNUSA-N 1 2 344.390 2.128 20 30 EEEDLO CC(C)OCc1ccc(CNC(=O)C[NH+]2CCC(C#N)CC2)cc1 ZINC000057874238 463525702 /nfs/dbraw/zinc/52/57/02/463525702.db2.gz LZCRPOFTKWRIHI-UHFFFAOYSA-N 1 2 329.444 2.463 20 30 EEEDLO CC(C)Oc1ccc(CCNC(=O)C[NH+]2CCC(C#N)CC2)cc1 ZINC000057873475 463525891 /nfs/dbraw/zinc/52/58/91/463525891.db2.gz KLCNNIXYRWBRPS-UHFFFAOYSA-N 1 2 329.444 2.368 20 30 EEEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000106868312 463544282 /nfs/dbraw/zinc/54/42/82/463544282.db2.gz CTRLXIWHSRUYLW-HNNXBMFYSA-N 1 2 344.415 2.096 20 30 EEEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000106868312 463544286 /nfs/dbraw/zinc/54/42/86/463544286.db2.gz CTRLXIWHSRUYLW-HNNXBMFYSA-N 1 2 344.415 2.096 20 30 EEEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)[nH]1 ZINC000151540243 463549480 /nfs/dbraw/zinc/54/94/80/463549480.db2.gz QTBBXKXOPFZKGB-UHFFFAOYSA-N 1 2 328.803 2.498 20 30 EEEDLO CC(C)[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1nc(-c2nc[nH]n2)no1 ZINC000184875952 463711669 /nfs/dbraw/zinc/71/16/69/463711669.db2.gz LOILYXKYSZLPET-ZDUSSCGKSA-N 1 2 341.350 2.352 20 30 EEEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000268515264 463776430 /nfs/dbraw/zinc/77/64/30/463776430.db2.gz TUCPFRBEJHXQJU-QWHCGFSZSA-N 1 2 326.400 2.088 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000177730905 463777726 /nfs/dbraw/zinc/77/77/26/463777726.db2.gz FBXBPIBMGINJLW-IYPVNNRCSA-N 1 2 349.500 2.425 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000177730905 463777729 /nfs/dbraw/zinc/77/77/29/463777729.db2.gz FBXBPIBMGINJLW-IYPVNNRCSA-N 1 2 349.500 2.425 20 30 EEEDLO C[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1nc(Cc2ccccc2)no1 ZINC000185399495 463815743 /nfs/dbraw/zinc/81/57/43/463815743.db2.gz ILVXYPOUOHBFIN-AWEZNQCLSA-N 1 2 341.415 2.073 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000178239805 463865958 /nfs/dbraw/zinc/86/59/58/463865958.db2.gz KFIPYCMBCKWPSY-KGLIPLIRSA-N 1 2 335.414 2.368 20 30 EEEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1ccn(CCC#N)n1)C2 ZINC000185761084 463874510 /nfs/dbraw/zinc/87/45/10/463874510.db2.gz XECLVSDYQDZVDM-UHFFFAOYSA-N 1 2 341.419 2.244 20 30 EEEDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000541951256 468382774 /nfs/dbraw/zinc/38/27/74/468382774.db2.gz DDDJMAKGZRWUON-UHFFFAOYSA-N 1 2 332.360 2.168 20 30 EEEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000590958914 468383869 /nfs/dbraw/zinc/38/38/69/468383869.db2.gz SXQQNNFHMHLYHY-ZQIUZPCESA-N 1 2 340.427 2.422 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278361413 463963661 /nfs/dbraw/zinc/96/36/61/463963661.db2.gz FGOIZSMKZCFKLG-HNNXBMFYSA-N 1 2 333.407 2.265 20 30 EEEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278361413 463963666 /nfs/dbraw/zinc/96/36/66/463963666.db2.gz FGOIZSMKZCFKLG-HNNXBMFYSA-N 1 2 333.407 2.265 20 30 EEEDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000195518863 464068550 /nfs/dbraw/zinc/06/85/50/464068550.db2.gz OTYARTDGPYIUOE-GFCCVEGCSA-N 1 2 329.404 2.351 20 30 EEEDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000195518863 464068553 /nfs/dbraw/zinc/06/85/53/464068553.db2.gz OTYARTDGPYIUOE-GFCCVEGCSA-N 1 2 329.404 2.351 20 30 EEEDLO CCC[C@@](C)(O)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000269798788 464098067 /nfs/dbraw/zinc/09/80/67/464098067.db2.gz CNEBKWNPQPMAMT-LJQANCHMSA-N 1 2 342.443 2.197 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000290087167 464107276 /nfs/dbraw/zinc/10/72/76/464107276.db2.gz KJPQAGKVKCFDIY-UHFFFAOYSA-N 1 2 339.464 2.401 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000290087167 464107279 /nfs/dbraw/zinc/10/72/79/464107279.db2.gz KJPQAGKVKCFDIY-UHFFFAOYSA-N 1 2 339.464 2.401 20 30 EEEDLO CC[N@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000179597040 464162609 /nfs/dbraw/zinc/16/26/09/464162609.db2.gz LNSMNJKTMDMDSY-INIZCTEOSA-N 1 2 336.457 2.378 20 30 EEEDLO CC[N@@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000179597040 464162611 /nfs/dbraw/zinc/16/26/11/464162611.db2.gz LNSMNJKTMDMDSY-INIZCTEOSA-N 1 2 336.457 2.378 20 30 EEEDLO C=CCn1c(SCC[N@H+]2CCOC[C@@H]2C)nnc1-c1ccncc1 ZINC000188228750 464229927 /nfs/dbraw/zinc/22/99/27/464229927.db2.gz VMIHUKWQTPGZGL-AWEZNQCLSA-N 1 2 345.472 2.339 20 30 EEEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@@H]2C)nnc1-c1ccncc1 ZINC000188228750 464229933 /nfs/dbraw/zinc/22/99/33/464229933.db2.gz VMIHUKWQTPGZGL-AWEZNQCLSA-N 1 2 345.472 2.339 20 30 EEEDLO CCOc1ccc(-c2noc(CO[NH+]=C(N)[C@@H]3CCCO3)n2)cc1 ZINC000284532691 464232542 /nfs/dbraw/zinc/23/25/42/464232542.db2.gz VBUUHQWNLAQZNK-ZDUSSCGKSA-N 1 2 332.360 2.103 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000280715903 464238927 /nfs/dbraw/zinc/23/89/27/464238927.db2.gz IIBDBXJYAZOISH-DAYGRLMNSA-N 1 2 332.448 2.221 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000280715903 464238933 /nfs/dbraw/zinc/23/89/33/464238933.db2.gz IIBDBXJYAZOISH-DAYGRLMNSA-N 1 2 332.448 2.221 20 30 EEEDLO C#CCCCN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1[nH+]ccn1C ZINC000284649274 464277060 /nfs/dbraw/zinc/27/70/60/464277060.db2.gz FXOXVZJYRLHSOX-HNNXBMFYSA-N 1 2 332.448 2.427 20 30 EEEDLO CC(C)CCN(CCC#N)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000173545735 464280437 /nfs/dbraw/zinc/28/04/37/464280437.db2.gz FLLWTFQWTMXOJZ-UHFFFAOYSA-N 1 2 346.475 2.186 20 30 EEEDLO C=CCNC(=O)C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000181127039 464449238 /nfs/dbraw/zinc/44/92/38/464449238.db2.gz CVJCWZDSKLSJIN-UHFFFAOYSA-N 1 2 349.232 2.231 20 30 EEEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)C1 ZINC000245453930 464484073 /nfs/dbraw/zinc/48/40/73/464484073.db2.gz GJLVDXFYKIUKCF-OLZOCXBDSA-N 1 2 328.199 2.005 20 30 EEEDLO C[N@H+]1CCO[C@H](C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)C1 ZINC000245453930 464484076 /nfs/dbraw/zinc/48/40/76/464484076.db2.gz GJLVDXFYKIUKCF-OLZOCXBDSA-N 1 2 328.199 2.005 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245481221 464485869 /nfs/dbraw/zinc/48/58/69/464485869.db2.gz YBPINFMHIOUNEX-CLNHLTTHSA-N 1 2 349.500 2.471 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245481221 464485872 /nfs/dbraw/zinc/48/58/72/464485872.db2.gz YBPINFMHIOUNEX-CLNHLTTHSA-N 1 2 349.500 2.471 20 30 EEEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1cccc(F)c1C#N ZINC000281541933 464496521 /nfs/dbraw/zinc/49/65/21/464496521.db2.gz RZKAVNUFSGSWJR-ZFWWWQNUSA-N 1 2 345.397 2.480 20 30 EEEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1cccc(F)c1C#N ZINC000281541933 464496527 /nfs/dbraw/zinc/49/65/27/464496527.db2.gz RZKAVNUFSGSWJR-ZFWWWQNUSA-N 1 2 345.397 2.480 20 30 EEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000246082396 464540074 /nfs/dbraw/zinc/54/00/74/464540074.db2.gz MYPQLMMATZDEMW-SBEAFCBVSA-N 1 2 349.397 2.161 20 30 EEEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000246082396 464540079 /nfs/dbraw/zinc/54/00/79/464540079.db2.gz MYPQLMMATZDEMW-SBEAFCBVSA-N 1 2 349.397 2.161 20 30 EEEDLO N#Cc1cccc(-n2ccc(C(=O)N3CCC(n4cc[nH+]c4)CC3)n2)c1 ZINC000281698198 464552939 /nfs/dbraw/zinc/55/29/39/464552939.db2.gz SMZYDBVRDIFHFV-UHFFFAOYSA-N 1 2 346.394 2.418 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1CO ZINC000246347845 464574779 /nfs/dbraw/zinc/57/47/79/464574779.db2.gz JULOZCCJYJHUQH-KGLIPLIRSA-N 1 2 333.457 2.476 20 30 EEEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1CO ZINC000246347845 464574781 /nfs/dbraw/zinc/57/47/81/464574781.db2.gz JULOZCCJYJHUQH-KGLIPLIRSA-N 1 2 333.457 2.476 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000265648152 464631603 /nfs/dbraw/zinc/63/16/03/464631603.db2.gz MPOLFRPXLSEJTH-AWEZNQCLSA-N 1 2 333.457 2.066 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000265648152 464631612 /nfs/dbraw/zinc/63/16/12/464631612.db2.gz MPOLFRPXLSEJTH-AWEZNQCLSA-N 1 2 333.457 2.066 20 30 EEEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(Cc3ccc(OCC#N)cc3)n2)C1 ZINC000272683284 464684417 /nfs/dbraw/zinc/68/44/17/464684417.db2.gz SHQVLBWOPYVBTQ-INIZCTEOSA-N 1 2 342.399 2.344 20 30 EEEDLO CC(C)[N@H+]1CCO[C@H](c2noc(Cc3ccc(OCC#N)cc3)n2)C1 ZINC000272683284 464684425 /nfs/dbraw/zinc/68/44/25/464684425.db2.gz SHQVLBWOPYVBTQ-INIZCTEOSA-N 1 2 342.399 2.344 20 30 EEEDLO C=CCNC(=O)CNC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000272703914 464686445 /nfs/dbraw/zinc/68/64/45/464686445.db2.gz VIHKTMNXQGFTMC-CQSZACIVSA-N 1 2 345.447 2.193 20 30 EEEDLO COc1cc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)ccc1C#N ZINC000282138075 464710967 /nfs/dbraw/zinc/71/09/67/464710967.db2.gz BWNVJUHCIWHFNV-UHFFFAOYSA-N 1 2 349.434 2.454 20 30 EEEDLO C=CCCCCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000274461173 464746133 /nfs/dbraw/zinc/74/61/33/464746133.db2.gz BTGITERHAOETFC-OAHLLOKOSA-N 1 2 332.448 2.462 20 30 EEEDLO C=CCCCCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000274519919 464747472 /nfs/dbraw/zinc/74/74/72/464747472.db2.gz NBQPDPWJQFPXDE-UHFFFAOYSA-N 1 2 326.400 2.498 20 30 EEEDLO COc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)[C@@H](C)OCC(C)C)cc1 ZINC000266195247 464768267 /nfs/dbraw/zinc/76/82/67/464768267.db2.gz JWRYMJDEAFQRKR-CHWSQXEVSA-N 1 2 337.420 2.372 20 30 EEEDLO CCCCC[N@H+](CC(N)=O)CC(=O)Nc1ccccc1SCC#N ZINC000183054926 464785431 /nfs/dbraw/zinc/78/54/31/464785431.db2.gz AGIYKWHZCLLSQF-UHFFFAOYSA-N 1 2 348.472 2.218 20 30 EEEDLO CCCCC[N@@H+](CC(N)=O)CC(=O)Nc1ccccc1SCC#N ZINC000183054926 464785436 /nfs/dbraw/zinc/78/54/36/464785436.db2.gz AGIYKWHZCLLSQF-UHFFFAOYSA-N 1 2 348.472 2.218 20 30 EEEDLO C=CCn1c(-c2ccccc2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000282756174 464934231 /nfs/dbraw/zinc/93/42/31/464934231.db2.gz ZDFGBEDGAHELQM-UHFFFAOYSA-N 1 2 341.459 2.208 20 30 EEEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)CC(C)(C)CC#N)c1C ZINC000295714603 464938333 /nfs/dbraw/zinc/93/83/33/464938333.db2.gz NNCSXXIGJVHXHV-UHFFFAOYSA-N 1 2 339.461 2.409 20 30 EEEDLO CC#CC[N@@H+](C)[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000339765087 465498277 /nfs/dbraw/zinc/49/82/77/465498277.db2.gz ZYZYOKBCCZYNBZ-NSHDSACASA-N 1 2 347.440 2.486 20 30 EEEDLO CC#CC[N@H+](C)[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000339765087 465498281 /nfs/dbraw/zinc/49/82/81/465498281.db2.gz ZYZYOKBCCZYNBZ-NSHDSACASA-N 1 2 347.440 2.486 20 30 EEEDLO COc1cc[nH+]cc1NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000276513156 464961634 /nfs/dbraw/zinc/96/16/34/464961634.db2.gz BLJUFCDLACFEFW-UHFFFAOYSA-N 1 2 341.371 2.113 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2C(C)C)CC1 ZINC000295856765 464988316 /nfs/dbraw/zinc/98/83/16/464988316.db2.gz BFUXYFWIUJTAAU-UHFFFAOYSA-N 1 2 327.407 2.420 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184599859 465005561 /nfs/dbraw/zinc/00/55/61/465005561.db2.gz QGBQHDFIJXEGGK-LJQANCHMSA-N 1 2 342.418 2.439 20 30 EEEDLO CC(=O)N1CC[NH+](CCNC(=O)c2c(C)oc3ccccc32)CC1 ZINC000329788764 465435400 /nfs/dbraw/zinc/43/54/00/465435400.db2.gz ZYUKISBKVHLPHT-UHFFFAOYSA-N 1 2 329.400 2.210 20 30 EEEDLO C[C@@H]1C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1O ZINC000351950698 465460670 /nfs/dbraw/zinc/46/06/70/465460670.db2.gz GYBDSTQLJBWWEN-RISCZKNCSA-N 1 2 333.457 2.140 20 30 EEEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1O ZINC000351950698 465460673 /nfs/dbraw/zinc/46/06/73/465460673.db2.gz GYBDSTQLJBWWEN-RISCZKNCSA-N 1 2 333.457 2.140 20 30 EEEDLO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)N[C@H]1CCCOC1 ZINC000329907262 465469484 /nfs/dbraw/zinc/46/94/84/465469484.db2.gz KTOYVZIWOIEDDO-IHRRRGAJSA-N 1 2 341.452 2.343 20 30 EEEDLO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)N[C@H]1CCCOC1 ZINC000329907262 465469490 /nfs/dbraw/zinc/46/94/90/465469490.db2.gz KTOYVZIWOIEDDO-IHRRRGAJSA-N 1 2 341.452 2.343 20 30 EEEDLO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@H]21)Nc1ccc2c(c1)OCO2 ZINC000330180393 465559498 /nfs/dbraw/zinc/55/94/98/465559498.db2.gz NJIWYXCMGMLTHO-IUODEOHRSA-N 1 2 336.413 2.210 20 30 EEEDLO O=C(C[N@H+]1CCS[C@@H]2COCC[C@H]21)Nc1ccc2c(c1)OCO2 ZINC000330180393 465559506 /nfs/dbraw/zinc/55/95/06/465559506.db2.gz NJIWYXCMGMLTHO-IUODEOHRSA-N 1 2 336.413 2.210 20 30 EEEDLO C=C(C)COc1cc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)ccc1OC ZINC000352857186 465560118 /nfs/dbraw/zinc/56/01/18/465560118.db2.gz JBXXPLCXBOVKEB-MRXNPFEDSA-N 1 2 330.428 2.457 20 30 EEEDLO C=C(C)COc1cc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)ccc1OC ZINC000352857186 465560121 /nfs/dbraw/zinc/56/01/21/465560121.db2.gz JBXXPLCXBOVKEB-MRXNPFEDSA-N 1 2 330.428 2.457 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC[C@H]1CCO)C2 ZINC000330244603 465582965 /nfs/dbraw/zinc/58/29/65/465582965.db2.gz DGNRYLSGBAZBIL-KBPBESRZSA-N 1 2 334.464 2.256 20 30 EEEDLO CC(C)c1nnc(CN2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)[nH]1 ZINC000330334961 465618932 /nfs/dbraw/zinc/61/89/32/465618932.db2.gz YWCWXVBAXOFLTK-AWEZNQCLSA-N 1 2 348.495 2.333 20 30 EEEDLO CC[N@@H+](C[C@@H](C)C#N)C[C@@H](O)COc1ccc(C(C)=O)cc1OC ZINC000353330737 465804357 /nfs/dbraw/zinc/80/43/57/465804357.db2.gz OWAXXNYKGIKQQC-XJKSGUPXSA-N 1 2 334.416 2.119 20 30 EEEDLO CC[N@H+](C[C@@H](C)C#N)C[C@@H](O)COc1ccc(C(C)=O)cc1OC ZINC000353330737 465804365 /nfs/dbraw/zinc/80/43/65/465804365.db2.gz OWAXXNYKGIKQQC-XJKSGUPXSA-N 1 2 334.416 2.119 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(CCO[C@@H]3CCCCO3)CC2)cc1 ZINC000299573304 465807123 /nfs/dbraw/zinc/80/71/23/465807123.db2.gz OPEHPPWZTNFDHI-LJQANCHMSA-N 1 2 329.444 2.219 20 30 EEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)CC1(C#N)CCCCC1)c1ccco1 ZINC000330888118 465847021 /nfs/dbraw/zinc/84/70/21/465847021.db2.gz UDNFSTMDGOAGQS-AWEZNQCLSA-N 1 2 339.461 2.276 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000340189221 465858939 /nfs/dbraw/zinc/85/89/39/465858939.db2.gz XEIZFCRLTXXMMV-GOSISDBHSA-N 1 2 337.464 2.095 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000345780382 465902971 /nfs/dbraw/zinc/90/29/71/465902971.db2.gz IFHROGCVMIDISO-CQSZACIVSA-N 1 2 346.862 2.413 20 30 EEEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(O)(C(F)F)CC2)c(C#N)c1C ZINC000331133409 465947764 /nfs/dbraw/zinc/94/77/64/465947764.db2.gz HMFBVZRDBMTXHX-JTQLQIEISA-N 1 2 341.358 2.187 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000594026967 468465814 /nfs/dbraw/zinc/46/58/14/468465814.db2.gz RAWNCEIEVWNKCA-QGZVFWFLSA-N 1 2 348.468 2.365 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000594026967 468465818 /nfs/dbraw/zinc/46/58/18/468465818.db2.gz RAWNCEIEVWNKCA-QGZVFWFLSA-N 1 2 348.468 2.365 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000594026966 468466317 /nfs/dbraw/zinc/46/63/17/468466317.db2.gz RAWNCEIEVWNKCA-KRWDZBQOSA-N 1 2 348.468 2.365 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000594026966 468466324 /nfs/dbraw/zinc/46/63/24/468466324.db2.gz RAWNCEIEVWNKCA-KRWDZBQOSA-N 1 2 348.468 2.365 20 30 EEEDLO CCC[N@H+](CC(=O)OC(C)(C)C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000349251981 466037852 /nfs/dbraw/zinc/03/78/52/466037852.db2.gz RPFIBRJXSYHEOA-RDTXWAMCSA-N 1 2 339.480 2.483 20 30 EEEDLO CCC[N@@H+](CC(=O)OC(C)(C)C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000349251981 466037858 /nfs/dbraw/zinc/03/78/58/466037858.db2.gz RPFIBRJXSYHEOA-RDTXWAMCSA-N 1 2 339.480 2.483 20 30 EEEDLO COc1cc(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)ccc1C#N ZINC000367243307 466214079 /nfs/dbraw/zinc/21/40/79/466214079.db2.gz JALZFENPXLULLO-OAHLLOKOSA-N 1 2 328.393 2.185 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCOc2cc(OC)ccc2C1 ZINC000338638209 466281949 /nfs/dbraw/zinc/28/19/49/466281949.db2.gz RNVHWWRADONOKM-HNNXBMFYSA-N 1 2 330.428 2.479 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCOc2cc(OC)ccc2C1 ZINC000338638209 466281957 /nfs/dbraw/zinc/28/19/57/466281957.db2.gz RNVHWWRADONOKM-HNNXBMFYSA-N 1 2 330.428 2.479 20 30 EEEDLO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000340927519 466440411 /nfs/dbraw/zinc/44/04/11/466440411.db2.gz SZDZICSVMVLGLT-UHFFFAOYSA-N 1 2 338.367 2.215 20 30 EEEDLO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000340927519 466440418 /nfs/dbraw/zinc/44/04/18/466440418.db2.gz SZDZICSVMVLGLT-UHFFFAOYSA-N 1 2 338.367 2.215 20 30 EEEDLO C=CC[N@@H+](CCOC)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000362050695 466515793 /nfs/dbraw/zinc/51/57/93/466515793.db2.gz SDBGKUGZPZCENY-UHFFFAOYSA-N 1 2 339.399 2.156 20 30 EEEDLO C=CC[N@H+](CCOC)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000362050695 466515799 /nfs/dbraw/zinc/51/57/99/466515799.db2.gz SDBGKUGZPZCENY-UHFFFAOYSA-N 1 2 339.399 2.156 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000314495160 466551191 /nfs/dbraw/zinc/55/11/91/466551191.db2.gz QVMNSUGCVVPFEG-IUODEOHRSA-N 1 2 348.244 2.421 20 30 EEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000314495160 466551203 /nfs/dbraw/zinc/55/12/03/466551203.db2.gz QVMNSUGCVVPFEG-IUODEOHRSA-N 1 2 348.244 2.421 20 30 EEEDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2ccc(C#N)cc2)CC1(C)C ZINC000333043722 466602154 /nfs/dbraw/zinc/60/21/54/466602154.db2.gz FLVDBKMXZNGTPB-CQSZACIVSA-N 1 2 330.413 2.064 20 30 EEEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000374502940 466655089 /nfs/dbraw/zinc/65/50/89/466655089.db2.gz HPUKVWFQNOVNBY-HNNXBMFYSA-N 1 2 342.370 2.332 20 30 EEEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000374502940 466655092 /nfs/dbraw/zinc/65/50/92/466655092.db2.gz HPUKVWFQNOVNBY-HNNXBMFYSA-N 1 2 342.370 2.332 20 30 EEEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1ccccc1C#N ZINC000365163355 466734151 /nfs/dbraw/zinc/73/41/51/466734151.db2.gz OXOMSGQYRQCPSP-IBGZPJMESA-N 1 2 345.406 2.188 20 30 EEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CCCCC)C(C)C)CC1 ZINC000370330624 466838423 /nfs/dbraw/zinc/83/84/23/466838423.db2.gz VVOSCJFPVHCTSU-GOSISDBHSA-N 1 2 349.519 2.123 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CCCCC)C(C)C)CC1 ZINC000370330624 466838426 /nfs/dbraw/zinc/83/84/26/466838426.db2.gz VVOSCJFPVHCTSU-GOSISDBHSA-N 1 2 349.519 2.123 20 30 EEEDLO CC(C)(CCC#N)CNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000376580978 466919992 /nfs/dbraw/zinc/91/99/92/466919992.db2.gz VWDMCKUQLCFAPS-UHFFFAOYSA-N 1 2 326.404 2.396 20 30 EEEDLO C=CCn1cc(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)nn1 ZINC000424175221 466996403 /nfs/dbraw/zinc/99/64/03/466996403.db2.gz TUUKYVQHVJILOF-UHFFFAOYSA-N 1 2 347.850 2.244 20 30 EEEDLO C=CCCn1cc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)nn1 ZINC000424596148 467074306 /nfs/dbraw/zinc/07/43/06/467074306.db2.gz RYTYSDFHUBEZPL-UHFFFAOYSA-N 1 2 340.431 2.170 20 30 EEEDLO Cc1cc(C[NH+]2CCN(c3cc(C)c([N+](=O)[O-])cc3C#N)CC2)on1 ZINC000413033062 467158467 /nfs/dbraw/zinc/15/84/67/467158467.db2.gz LPPLOVKMRZZCNP-UHFFFAOYSA-N 1 2 341.371 2.394 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413262732 467199590 /nfs/dbraw/zinc/19/95/90/467199590.db2.gz GHDMWSOOGOSFNX-BSXFFOKHSA-N 1 2 332.448 2.077 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413262732 467199596 /nfs/dbraw/zinc/19/95/96/467199596.db2.gz GHDMWSOOGOSFNX-BSXFFOKHSA-N 1 2 332.448 2.077 20 30 EEEDLO N#Cc1cccc([C@@H]2CN(C(=O)Cc3cn4ccccc4[nH+]3)CCO2)c1 ZINC000378297132 467255300 /nfs/dbraw/zinc/25/53/00/467255300.db2.gz DIJSTESHTNAAEO-SFHVURJKSA-N 1 2 346.390 2.349 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2Cc2cccc(F)c2C#N)O1 ZINC000428941600 467282467 /nfs/dbraw/zinc/28/24/67/467282467.db2.gz WMCZLIHLFAFJDO-FKSAFCJBSA-N 1 2 332.375 2.381 20 30 EEEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2Cc2cccc(F)c2C#N)O1 ZINC000428941600 467282471 /nfs/dbraw/zinc/28/24/71/467282471.db2.gz WMCZLIHLFAFJDO-FKSAFCJBSA-N 1 2 332.375 2.381 20 30 EEEDLO C[N@H+](Cc1ccc(C#N)cc1Br)[C@@H]1CCCCNC1=O ZINC000378484519 467318089 /nfs/dbraw/zinc/31/80/89/467318089.db2.gz LVQWGNOHWUMXBZ-CQSZACIVSA-N 1 2 336.233 2.421 20 30 EEEDLO C[N@@H+](Cc1ccc(C#N)cc1Br)[C@@H]1CCCCNC1=O ZINC000378484519 467318093 /nfs/dbraw/zinc/31/80/93/467318093.db2.gz LVQWGNOHWUMXBZ-CQSZACIVSA-N 1 2 336.233 2.421 20 30 EEEDLO C=CCC[C@@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000457560352 467652126 /nfs/dbraw/zinc/65/21/26/467652126.db2.gz VMFJJCYRYNBWCI-BBRMVZONSA-N 1 2 346.406 2.275 20 30 EEEDLO C=CCC[C@H](CO)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000457652102 467670461 /nfs/dbraw/zinc/67/04/61/467670461.db2.gz AESMQHNYQNDESM-QGZVFWFLSA-N 1 2 328.416 2.058 20 30 EEEDLO COc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)nc1 ZINC000449769868 467712197 /nfs/dbraw/zinc/71/21/97/467712197.db2.gz VIDHURAOVUIWTQ-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ncc(C#N)cn1 ZINC000497038146 467800389 /nfs/dbraw/zinc/80/03/89/467800389.db2.gz QENCVSLSMLMLMB-QWHCGFSZSA-N 1 2 331.420 2.083 20 30 EEEDLO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ncc(C#N)cn1 ZINC000497038146 467800390 /nfs/dbraw/zinc/80/03/90/467800390.db2.gz QENCVSLSMLMLMB-QWHCGFSZSA-N 1 2 331.420 2.083 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000497135932 467852757 /nfs/dbraw/zinc/85/27/57/467852757.db2.gz WDOHFYMFVBGXKV-KRWDZBQOSA-N 1 2 347.419 2.002 20 30 EEEDLO CCOc1ccc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1OC ZINC000493465464 467916800 /nfs/dbraw/zinc/91/68/00/467916800.db2.gz QVOVAIGBSDOWGX-XSFOEPMVSA-N 1 2 331.416 2.067 20 30 EEEDLO Cc1cn(-c2ccccc2Cl)nc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000514983694 467966476 /nfs/dbraw/zinc/96/64/76/467966476.db2.gz JRXLTUUYWRSREJ-QGZVFWFLSA-N 1 2 345.834 2.408 20 30 EEEDLO CO[C@H]1C[NH+](Cc2cc(C#N)ccc2Br)C[C@@H]1OC ZINC000493733849 467972818 /nfs/dbraw/zinc/97/28/18/467972818.db2.gz CZLQQHGQWKZZFV-KBPBESRZSA-N 1 2 325.206 2.166 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCOc1ccc(F)cc1F ZINC000515655427 468000459 /nfs/dbraw/zinc/00/04/59/468000459.db2.gz IHIXWSUVOFWDGB-INIZCTEOSA-N 1 2 325.359 2.084 20 30 EEEDLO CC(C)NC(=O)NCC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000516864526 468051157 /nfs/dbraw/zinc/05/11/57/468051157.db2.gz FWDWPQSQIAQISO-UHFFFAOYSA-N 1 2 349.866 2.041 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000488393786 468084817 /nfs/dbraw/zinc/08/48/17/468084817.db2.gz DQZAUKPCXPZGCA-SFHVURJKSA-N 1 2 339.439 2.477 20 30 EEEDLO CC(C)CN1C[C@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)CCN2C1=O ZINC000488741621 468100733 /nfs/dbraw/zinc/10/07/33/468100733.db2.gz BYKFNWCQQLJDAS-MRXNPFEDSA-N 1 2 330.407 2.275 20 30 EEEDLO CC(C)CN1C[C@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)CCN2C1=O ZINC000488741621 468100735 /nfs/dbraw/zinc/10/07/35/468100735.db2.gz BYKFNWCQQLJDAS-MRXNPFEDSA-N 1 2 330.407 2.275 20 30 EEEDLO C=CCCCS(=O)(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000489113368 468120733 /nfs/dbraw/zinc/12/07/33/468120733.db2.gz HCRBOSJAELOTHU-UHFFFAOYSA-N 1 2 333.457 2.360 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(OCc2cccnc2)c1 ZINC000575234420 468138505 /nfs/dbraw/zinc/13/85/05/468138505.db2.gz BJICTYKQSIGIAP-IBGZPJMESA-N 1 2 338.411 2.234 20 30 EEEDLO C[C@@H](O)[C@@H]1CCN(c2cc(N3CCC(CCC#N)CC3)[nH+]cn2)C1 ZINC000576034088 468159087 /nfs/dbraw/zinc/15/90/87/468159087.db2.gz LMLZHMBRNAVMOE-GDBMZVCRSA-N 1 2 329.448 2.204 20 30 EEEDLO C[C@@H](O)[C@@H]1CCN(c2cc(N3CCC(CCC#N)CC3)nc[nH+]2)C1 ZINC000576034088 468159093 /nfs/dbraw/zinc/15/90/93/468159093.db2.gz LMLZHMBRNAVMOE-GDBMZVCRSA-N 1 2 329.448 2.204 20 30 EEEDLO C=CCOC(=O)N1CCC(OC(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000496451792 468254616 /nfs/dbraw/zinc/25/46/16/468254616.db2.gz MQUBPIZAOQIGTQ-UHFFFAOYSA-N 1 2 343.383 2.207 20 30 EEEDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000582847922 468604998 /nfs/dbraw/zinc/60/49/98/468604998.db2.gz CKALSPPWUNUYLJ-WMLDXEAASA-N 1 2 332.404 2.124 20 30 EEEDLO N#CC[C@]1(O)CC[N@@H+]([C@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000592145911 468637420 /nfs/dbraw/zinc/63/74/20/468637420.db2.gz BFOLXHDMFCPVIX-FPOVZHCZSA-N 1 2 349.434 2.395 20 30 EEEDLO N#CC[C@]1(O)CC[N@H+]([C@H](C(=O)NCc2ccccc2)c2ccccc2)C1 ZINC000592145911 468637422 /nfs/dbraw/zinc/63/74/22/468637422.db2.gz BFOLXHDMFCPVIX-FPOVZHCZSA-N 1 2 349.434 2.395 20 30 EEEDLO C=CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H](C)COC ZINC000597955198 468723905 /nfs/dbraw/zinc/72/39/05/468723905.db2.gz UKNZVVNDRXJWNU-CYBMUJFWSA-N 1 2 344.371 2.444 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000571830748 468845049 /nfs/dbraw/zinc/84/50/49/468845049.db2.gz GUYBRRAPLVAAAX-KBPBESRZSA-N 1 2 346.406 2.015 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000571830748 468845054 /nfs/dbraw/zinc/84/50/54/468845054.db2.gz GUYBRRAPLVAAAX-KBPBESRZSA-N 1 2 346.406 2.015 20 30 EEEDLO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595613943 468923965 /nfs/dbraw/zinc/92/39/65/468923965.db2.gz FYQVJBSRINLOIF-UONOGXRCSA-N 1 2 337.431 2.306 20 30 EEEDLO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595613943 468923969 /nfs/dbraw/zinc/92/39/69/468923969.db2.gz FYQVJBSRINLOIF-UONOGXRCSA-N 1 2 337.431 2.306 20 30 EEEDLO C[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CCC1(F)F ZINC000562228642 468924515 /nfs/dbraw/zinc/92/45/15/468924515.db2.gz JEDGORBCHKWKTI-BXUZGUMPSA-N 1 2 333.338 2.167 20 30 EEEDLO C[C@@H]1C[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CCC1(F)F ZINC000562228642 468924519 /nfs/dbraw/zinc/92/45/19/468924519.db2.gz JEDGORBCHKWKTI-BXUZGUMPSA-N 1 2 333.338 2.167 20 30 EEEDLO CCn1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)n1 ZINC000598978466 469074453 /nfs/dbraw/zinc/07/44/53/469074453.db2.gz UIXPRZBRAMJZOY-UHFFFAOYSA-N 1 2 337.427 2.041 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000614924903 469096795 /nfs/dbraw/zinc/09/67/95/469096795.db2.gz OWWKZLFEDOFJPI-GXTWGEPZSA-N 1 2 335.370 2.038 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000614924903 469096801 /nfs/dbraw/zinc/09/68/01/469096801.db2.gz OWWKZLFEDOFJPI-GXTWGEPZSA-N 1 2 335.370 2.038 20 30 EEEDLO Cc1cccc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1C#N ZINC000611018862 469141258 /nfs/dbraw/zinc/14/12/58/469141258.db2.gz YMDGMNZHUFGGIZ-AWEZNQCLSA-N 1 2 330.413 2.089 20 30 EEEDLO Cc1nn(C)c(N2CC[NH+](Cc3scnc3C3CC3)CC2)c1C#N ZINC000573515221 469149011 /nfs/dbraw/zinc/14/90/11/469149011.db2.gz HIEXLVLRJVBWNX-UHFFFAOYSA-N 1 2 342.472 2.256 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)cs1 ZINC000573600097 469168516 /nfs/dbraw/zinc/16/85/16/469168516.db2.gz APZPVWIRKFGSMA-LSDHHAIUSA-N 1 2 347.488 2.361 20 30 EEEDLO Cc1nc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)cs1 ZINC000573600097 469168522 /nfs/dbraw/zinc/16/85/22/469168522.db2.gz APZPVWIRKFGSMA-LSDHHAIUSA-N 1 2 347.488 2.361 20 30 EEEDLO N#CCCN1CC[NH+](Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000611175423 469181948 /nfs/dbraw/zinc/18/19/48/469181948.db2.gz FRXYEKYLKYFONR-UHFFFAOYSA-N 1 2 328.338 2.054 20 30 EEEDLO CC(C)COc1ncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1Cl ZINC000563221085 469203406 /nfs/dbraw/zinc/20/34/06/469203406.db2.gz YUOSOSVDRTVTBP-MRXNPFEDSA-N 1 2 338.839 2.343 20 30 EEEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N[C@H](C)c2ccccc2)CC1 ZINC000599336910 469216521 /nfs/dbraw/zinc/21/65/21/469216521.db2.gz PBAPKRZSENEATC-SJLPKXTDSA-N 1 2 328.460 2.030 20 30 EEEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1CCOc1ccccc1C#N ZINC000599445030 469261390 /nfs/dbraw/zinc/26/13/90/469261390.db2.gz PGGWPUDSKWEEQQ-IBGZPJMESA-N 1 2 348.410 2.041 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@](F)(C#N)C1)c1ccc(F)cc1 ZINC000615578178 469272455 /nfs/dbraw/zinc/27/24/55/469272455.db2.gz YFKXYVFOTBGTMQ-PBHICJAKSA-N 1 2 345.353 2.296 20 30 EEEDLO N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000611566530 469281734 /nfs/dbraw/zinc/28/17/34/469281734.db2.gz SEVFPARDAMHWRV-ZBFHGGJFSA-N 1 2 328.416 2.333 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCC(F)(F)CC2)cc1 ZINC000599551283 469290235 /nfs/dbraw/zinc/29/02/35/469290235.db2.gz LBWLZPAEDBKWBB-UHFFFAOYSA-N 1 2 328.384 2.453 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC(F)(F)CC2)cc1 ZINC000599551283 469290236 /nfs/dbraw/zinc/29/02/36/469290236.db2.gz LBWLZPAEDBKWBB-UHFFFAOYSA-N 1 2 328.384 2.453 20 30 EEEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)N3CC[C@@](F)(C#N)C3)c2C1 ZINC000615665045 469295872 /nfs/dbraw/zinc/29/58/72/469295872.db2.gz UULYLPIBRRVVOD-LJQANCHMSA-N 1 2 338.386 2.300 20 30 EEEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)N3CC[C@@](F)(C#N)C3)c2C1 ZINC000615665045 469295874 /nfs/dbraw/zinc/29/58/74/469295874.db2.gz UULYLPIBRRVVOD-LJQANCHMSA-N 1 2 338.386 2.300 20 30 EEEDLO N#Cc1ccc(Cn2cc(C[NH+]3CCSCC3)nn2)c(Cl)c1 ZINC000603227225 469316206 /nfs/dbraw/zinc/31/62/06/469316206.db2.gz QPLCGLJZLGKLKD-UHFFFAOYSA-N 1 2 333.848 2.400 20 30 EEEDLO COC1CC[NH+](Cc2cn(Cc3ccc(Cl)cc3C#N)nn2)CC1 ZINC000603243986 469322342 /nfs/dbraw/zinc/32/23/42/469322342.db2.gz PYJXCOSGLPXNDN-UHFFFAOYSA-N 1 2 345.834 2.462 20 30 EEEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000604538820 469489029 /nfs/dbraw/zinc/48/90/29/469489029.db2.gz RAKSRTYCNTZDRA-MRXNPFEDSA-N 1 2 346.431 2.089 20 30 EEEDLO C[C@@](O)(C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C(F)(F)F ZINC000619621219 469652017 /nfs/dbraw/zinc/65/20/17/469652017.db2.gz PIPRFVNDMCQSJT-HUUCEWRRSA-N 1 2 345.340 2.321 20 30 EEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000619717768 469670138 /nfs/dbraw/zinc/67/01/38/469670138.db2.gz IPAPOLRCSSSTHN-LBPRGKRZSA-N 1 2 328.210 2.010 20 30 EEEDLO C=CC[C@H]1CCCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000617783997 469801412 /nfs/dbraw/zinc/80/14/12/469801412.db2.gz LJSZLVZPWJLJFE-KRWDZBQOSA-N 1 2 328.460 2.018 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3nccs3)CC2)cc1 ZINC000618342497 469968333 /nfs/dbraw/zinc/96/83/33/469968333.db2.gz PIOZWXZAZVSCPH-UHFFFAOYSA-N 1 2 326.425 2.363 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3nccs3)CC2)cc1 ZINC000618342497 469968339 /nfs/dbraw/zinc/96/83/39/469968339.db2.gz PIOZWXZAZVSCPH-UHFFFAOYSA-N 1 2 326.425 2.363 20 30 EEEDLO CC(C)(C#N)CCn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000610286328 470000224 /nfs/dbraw/zinc/00/02/24/470000224.db2.gz RWFILQWAPPYEOM-INIZCTEOSA-N 1 2 340.431 2.186 20 30 EEEDLO CC(C)(C#N)CCn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000610286328 470000227 /nfs/dbraw/zinc/00/02/27/470000227.db2.gz RWFILQWAPPYEOM-INIZCTEOSA-N 1 2 340.431 2.186 20 30 EEEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)cc1OC ZINC000628191650 470073602 /nfs/dbraw/zinc/07/36/02/470073602.db2.gz RISACPIENYCYJK-GFCCVEGCSA-N 1 2 339.823 2.156 20 30 EEEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](NC(N)=O)C2)cc1OC ZINC000628191650 470073605 /nfs/dbraw/zinc/07/36/05/470073605.db2.gz RISACPIENYCYJK-GFCCVEGCSA-N 1 2 339.823 2.156 20 30 EEEDLO Cc1cnc([C@@H](C)[NH2+]CC#CCN2C(=O)c3ccccc3C2=O)s1 ZINC000625324087 470119703 /nfs/dbraw/zinc/11/97/03/470119703.db2.gz BOOTYRAIMSKSFX-CYBMUJFWSA-N 1 2 339.420 2.402 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(C(=O)[C@](C)(C=C)CC)CC[N@@H+]1C ZINC000652497898 471301252 /nfs/dbraw/zinc/30/12/52/471301252.db2.gz PTPHREYYPKWDMA-NSISKUIASA-N 1 2 349.519 2.450 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(C(=O)[C@](C)(C=C)CC)CC[N@H+]1C ZINC000652497898 471301254 /nfs/dbraw/zinc/30/12/54/471301254.db2.gz PTPHREYYPKWDMA-NSISKUIASA-N 1 2 349.519 2.450 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000653148497 471508946 /nfs/dbraw/zinc/50/89/46/471508946.db2.gz YZONPVXJXINPQN-CABCVRRESA-N 1 2 327.388 2.182 20 30 EEEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC(=O)CC23CCC3)cc1 ZINC000653763008 471732216 /nfs/dbraw/zinc/73/22/16/471732216.db2.gz APZINXUXUHCKJG-QGZVFWFLSA-N 1 2 328.412 2.080 20 30 EEEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC(=O)CC23CCC3)cc1 ZINC000653763008 471732221 /nfs/dbraw/zinc/73/22/21/471732221.db2.gz APZINXUXUHCKJG-QGZVFWFLSA-N 1 2 328.412 2.080 20 30 EEEDLO C=CCOc1cccc(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000665847742 472212781 /nfs/dbraw/zinc/21/27/81/472212781.db2.gz BCFOHRPHRPKZKT-CABCVRRESA-N 1 2 333.432 2.482 20 30 EEEDLO C=CCOc1cccc(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000665847742 472212786 /nfs/dbraw/zinc/21/27/86/472212786.db2.gz BCFOHRPHRPKZKT-CABCVRRESA-N 1 2 333.432 2.482 20 30 EEEDLO C=C(C)COCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000532396140 485543726 /nfs/dbraw/zinc/54/37/26/485543726.db2.gz SMSPHYAGFSOXGF-MRXNPFEDSA-N 1 2 328.416 2.401 20 30 EEEDLO Cc1nc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)sc1SCC#N ZINC000160071313 534477187 /nfs/dbraw/zinc/47/71/87/534477187.db2.gz PATPRWLGKMVULI-SNVBAGLBSA-N 1 2 333.442 2.465 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cn(C)nc2Cl)C1 ZINC001034482924 1196292190 /nfs/dbraw/zinc/29/21/90/1196292190.db2.gz NCTDLWBHHVXYQD-NSHDSACASA-N 1 2 331.247 2.410 20 30 EEEDLO C=CCN(CCc1ccccc1)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726257067 576251774 /nfs/dbraw/zinc/25/17/74/576251774.db2.gz OMXGWYGYOCSQEZ-KRWDZBQOSA-N 1 2 331.460 2.147 20 30 EEEDLO C=CCN(CCc1ccccc1)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726257067 576251777 /nfs/dbraw/zinc/25/17/77/576251777.db2.gz OMXGWYGYOCSQEZ-KRWDZBQOSA-N 1 2 331.460 2.147 20 30 EEEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000727226651 576414085 /nfs/dbraw/zinc/41/40/85/576414085.db2.gz FXGXVAQHEGEWFK-INIZCTEOSA-N 1 2 344.459 2.199 20 30 EEEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000727226651 576414087 /nfs/dbraw/zinc/41/40/87/576414087.db2.gz FXGXVAQHEGEWFK-INIZCTEOSA-N 1 2 344.459 2.199 20 30 EEEDLO Cc1cc(C)n(C2N=NC(=S)N2[NH+]=Cc2ccc(N(C)C)cc2)n1 ZINC000730567038 577042908 /nfs/dbraw/zinc/04/29/08/577042908.db2.gz SZRKBJTUNHEVNJ-UHFFFAOYSA-N 1 2 341.444 2.318 20 30 EEEDLO CC(C)C(=NNC(=S)NCC[NH+]1CCOCC1)C1CCCCC1 ZINC000733902335 577263430 /nfs/dbraw/zinc/26/34/30/577263430.db2.gz QESPUCQLUDANEZ-UHFFFAOYSA-N 1 2 340.537 2.375 20 30 EEEDLO C#C[C@H](NC(=O)NCCCn1c(C)[nH+]c2ccccc21)[C@@H]1CCCO1 ZINC000773216074 577323610 /nfs/dbraw/zinc/32/36/10/577323610.db2.gz XOTPDYFPSPIYOB-YJBOKZPZSA-N 1 2 340.427 2.215 20 30 EEEDLO COc1ccc2c(c1)C[N@@H+](Cn1cc3c(c(C#N)c1=O)CCC3)CC2 ZINC000766611778 577522044 /nfs/dbraw/zinc/52/20/44/577522044.db2.gz JIJZSMPMOYYOSU-UHFFFAOYSA-N 1 2 335.407 2.233 20 30 EEEDLO COc1ccc2c(c1)C[N@H+](Cn1cc3c(c(C#N)c1=O)CCC3)CC2 ZINC000766611778 577522045 /nfs/dbraw/zinc/52/20/45/577522045.db2.gz JIJZSMPMOYYOSU-UHFFFAOYSA-N 1 2 335.407 2.233 20 30 EEEDLO C(=[NH+]Nc1ccc(-n2cccn2)nn1)c1ccc(N2CCCC2)nc1 ZINC000758372159 577623114 /nfs/dbraw/zinc/62/31/14/577623114.db2.gz JNHHPHGCVNTDST-UHFFFAOYSA-N 1 2 334.387 2.104 20 30 EEEDLO c1cn(-c2ccc(N=NCc3cnn(Cc4ccccc4)c3)nn2)c[nH+]1 ZINC000761837831 577689880 /nfs/dbraw/zinc/68/98/80/577689880.db2.gz WVQYLSDDLVBUSA-UHFFFAOYSA-N 1 2 344.382 2.353 20 30 EEEDLO C#CC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)C1CC1 ZINC000763948612 577728491 /nfs/dbraw/zinc/72/84/91/577728491.db2.gz BOAFLQQZZOQEQR-UHFFFAOYSA-N 1 2 346.452 2.450 20 30 EEEDLO C#CC[N@H+](CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)C1CC1 ZINC000763948612 577728492 /nfs/dbraw/zinc/72/84/92/577728492.db2.gz BOAFLQQZZOQEQR-UHFFFAOYSA-N 1 2 346.452 2.450 20 30 EEEDLO C#CC[N@@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)C1CC1 ZINC000763949304 577728528 /nfs/dbraw/zinc/72/85/28/577728528.db2.gz KBVYYRNDPUNUCY-HXUWFJFHSA-N 1 2 342.439 2.369 20 30 EEEDLO C#CC[N@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)C1CC1 ZINC000763949304 577728529 /nfs/dbraw/zinc/72/85/29/577728529.db2.gz KBVYYRNDPUNUCY-HXUWFJFHSA-N 1 2 342.439 2.369 20 30 EEEDLO Cc1[nH+]c2ccccc2n1CC(=O)OCC(=O)Nc1ccc(C#N)cc1 ZINC000754822298 577814192 /nfs/dbraw/zinc/81/41/92/577814192.db2.gz MXYQRTFFMGSJCU-UHFFFAOYSA-N 1 2 348.362 2.398 20 30 EEEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)CN1C[C@]2(CCOC2)CC1=O ZINC000756848438 577851211 /nfs/dbraw/zinc/85/12/11/577851211.db2.gz NQAUBLVYRAOGLL-IBGZPJMESA-N 1 2 325.412 2.143 20 30 EEEDLO C=CC[N@H+](Cc1cccc(C#N)c1)CN1C[C@]2(CCOC2)CC1=O ZINC000756848438 577851212 /nfs/dbraw/zinc/85/12/12/577851212.db2.gz NQAUBLVYRAOGLL-IBGZPJMESA-N 1 2 325.412 2.143 20 30 EEEDLO CC[N@H+](C)[C@@H](C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000745103120 577909001 /nfs/dbraw/zinc/90/90/01/577909001.db2.gz ZXJBKKXTFIQLDH-IEBWSBKVSA-N 1 2 345.443 2.277 20 30 EEEDLO CC[N@@H+](C)[C@@H](C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000745103120 577909002 /nfs/dbraw/zinc/90/90/02/577909002.db2.gz ZXJBKKXTFIQLDH-IEBWSBKVSA-N 1 2 345.443 2.277 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Br)c(OC)c1 ZINC000746636274 577931330 /nfs/dbraw/zinc/93/13/30/577931330.db2.gz NASSYLUUFZBJOU-ZDUSSCGKSA-N 1 2 337.217 2.494 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Br)c(OC)c1 ZINC000746636274 577931331 /nfs/dbraw/zinc/93/13/31/577931331.db2.gz NASSYLUUFZBJOU-ZDUSSCGKSA-N 1 2 337.217 2.494 20 30 EEEDLO CC(=NNc1[nH]cnc2ncnc1-2)c1ccc(OCC[NH+](C)C)cc1 ZINC000748134391 577955782 /nfs/dbraw/zinc/95/57/82/577955782.db2.gz WVOHWCQKBAZQKS-UHFFFAOYSA-N 1 2 339.403 2.129 20 30 EEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H](C)C(=O)OCCC ZINC000735419927 578153003 /nfs/dbraw/zinc/15/30/03/578153003.db2.gz KLEJRVITPSYCQR-ZDUSSCGKSA-N 1 2 329.404 2.196 20 30 EEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H](C)C(=O)OCCC ZINC000735419927 578153005 /nfs/dbraw/zinc/15/30/05/578153005.db2.gz KLEJRVITPSYCQR-ZDUSSCGKSA-N 1 2 329.404 2.196 20 30 EEEDLO C[C@H](NC(=O)c1ccon1)C1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC000969352005 674875136 /nfs/dbraw/zinc/87/51/36/674875136.db2.gz QLCPNHGRDCHSNC-ZDUSSCGKSA-N 1 2 343.814 2.430 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC000969515618 675081983 /nfs/dbraw/zinc/08/19/83/675081983.db2.gz IEEHDOLTRMNUIX-GASCZTMLSA-N 1 2 344.459 2.065 20 30 EEEDLO C[C@H](NC(=O)[C@@H]1CC1(F)F)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969633785 675138782 /nfs/dbraw/zinc/13/87/82/675138782.db2.gz SIBGWCJZODDKCW-HZMBPMFUSA-N 1 2 337.345 2.289 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000970590295 676007839 /nfs/dbraw/zinc/00/78/39/676007839.db2.gz SLETWLCSDJVAAP-CYBMUJFWSA-N 1 2 345.834 2.070 20 30 EEEDLO C[C@@H](NC(=O)c1nccs1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970636796 676040917 /nfs/dbraw/zinc/04/09/17/676040917.db2.gz LOBLFTTYNVKSEO-LLVKDONJSA-N 1 2 344.415 2.404 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@H](C)C1C[NH+]([C@@H](C)c2ncccn2)C1 ZINC000969836438 675239304 /nfs/dbraw/zinc/23/93/04/675239304.db2.gz MODPEDMAVJCPQS-CABCVRRESA-N 1 2 339.443 2.275 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cnc3onc(C)c3c2)C1 ZINC000970244603 675748581 /nfs/dbraw/zinc/74/85/81/675748581.db2.gz LKAIMJXWHQOPLG-SNVBAGLBSA-N 1 2 334.807 2.334 20 30 EEEDLO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001067569985 676336920 /nfs/dbraw/zinc/33/69/20/676336920.db2.gz HRGALRKGCUCHDN-UHFFFAOYSA-N 1 2 334.464 2.327 20 30 EEEDLO N#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001021703981 676364424 /nfs/dbraw/zinc/36/44/24/676364424.db2.gz OSSAAPROFKAXGW-MJGOQNOKSA-N 1 2 349.438 2.322 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)sc1C ZINC000971371475 676506893 /nfs/dbraw/zinc/50/68/93/676506893.db2.gz LELFNJBVJLJLED-HNNXBMFYSA-N 1 2 343.456 2.306 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)sc1C ZINC000971371475 676506894 /nfs/dbraw/zinc/50/68/94/676506894.db2.gz LELFNJBVJLJLED-HNNXBMFYSA-N 1 2 343.456 2.306 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)[C@H]2CC2(F)F)C1 ZINC000971500437 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C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3c(cc[nH]c3=O)n2)[C@H]1C ZINC001088675980 1188082099 /nfs/dbraw/zinc/08/20/99/1188082099.db2.gz PXPBXRDNWLSUCW-YPMHNXCESA-N 1 2 346.818 2.281 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(cc[nH]c3=O)n2)[C@H]1C ZINC001088675980 1188082103 /nfs/dbraw/zinc/08/21/03/1188082103.db2.gz PXPBXRDNWLSUCW-YPMHNXCESA-N 1 2 346.818 2.281 20 30 EEEDLO C=CCOCC(=O)N1CC[C@@H]2[C@H](CCN2c2nc(C)[nH+]c(C)c2C)C1 ZINC001105617417 1188339354 /nfs/dbraw/zinc/33/93/54/1188339354.db2.gz JKHOQTXYQIYBDO-IAGOWNOFSA-N 1 2 344.459 2.032 20 30 EEEDLO Cc1nc(N2CC[C@@H]3CN(C(=O)C#CC(C)C)CC[C@@H]32)c(C)c(C)[nH+]1 ZINC001105625065 1188343626 /nfs/dbraw/zinc/34/36/26/1188343626.db2.gz GETDSEOJCOHCCW-MSOLQXFVSA-N 1 2 340.471 2.488 20 30 EEEDLO CCc1ccc(-c2noc(C[NH2+]CCNC(=O)C#CC(C)C)n2)cc1 ZINC001126815718 1188441224 /nfs/dbraw/zinc/44/12/24/1188441224.db2.gz JRYNVHNGAZXJMK-UHFFFAOYSA-N 1 2 340.427 2.164 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCC[C@@H]1CNc1nc(N(C)C)nc(C)[nH+]1 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/nfs/dbraw/zinc/17/65/66/1189176566.db2.gz NBOPWJUZCNYGIG-IAGOWNOFSA-N 1 2 345.468 2.172 20 30 EEEDLO C=CCC1(C(=O)N[C@@H](C)CCNC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001077186590 1189379182 /nfs/dbraw/zinc/37/91/82/1189379182.db2.gz GMNWYYIUDUIFFA-HNNXBMFYSA-N 1 2 332.448 2.031 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)NC(=O)C1CCCCC1 ZINC001409693705 1190203265 /nfs/dbraw/zinc/20/32/65/1190203265.db2.gz RPHWKQVXDWAHNU-KGLIPLIRSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)NC(=O)C1CCCCC1 ZINC001409693705 1190203269 /nfs/dbraw/zinc/20/32/69/1190203269.db2.gz RPHWKQVXDWAHNU-KGLIPLIRSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1[nH]c(C)nc1C ZINC001484759158 1191512051 /nfs/dbraw/zinc/51/20/51/1191512051.db2.gz SIPGSEPYDQRNCU-UHFFFAOYSA-N 1 2 343.269 2.329 20 30 EEEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1[nH]c(C)nc1C ZINC001484759158 1191512053 /nfs/dbraw/zinc/51/20/53/1191512053.db2.gz SIPGSEPYDQRNCU-UHFFFAOYSA-N 1 2 343.269 2.329 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CN(C)C(=O)c1cccs1 ZINC001485308046 1191726949 /nfs/dbraw/zinc/72/69/49/1191726949.db2.gz BURPTUABQGZDPB-GFCCVEGCSA-N 1 2 343.880 2.009 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CN(C)C(=O)c1cccs1 ZINC001485308046 1191726950 /nfs/dbraw/zinc/72/69/50/1191726950.db2.gz BURPTUABQGZDPB-GFCCVEGCSA-N 1 2 343.880 2.009 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1[nH]nc2c1cccc2OC ZINC001485306890 1191736821 /nfs/dbraw/zinc/73/68/21/1191736821.db2.gz DQZHXNCBLYZBMV-NSHDSACASA-N 1 2 336.823 2.374 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1[nH]nc2c1cccc2OC ZINC001485306890 1191736823 /nfs/dbraw/zinc/73/68/23/1191736823.db2.gz DQZHXNCBLYZBMV-NSHDSACASA-N 1 2 336.823 2.374 20 30 EEEDLO C=CCN1C(=O)COCC12C[NH+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC001272968636 1194277817 /nfs/dbraw/zinc/27/78/17/1194277817.db2.gz FXDALKIBPMHECK-UHFFFAOYSA-N 1 2 340.345 2.305 20 30 EEEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3c(F)cccc3F)C2)OCC1=O ZINC001272974508 1194282637 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2 341.415 2.228 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC001033795183 1195284923 /nfs/dbraw/zinc/28/49/23/1195284923.db2.gz KVMGJRREVWHFHS-DZGCQCFKSA-N 1 2 341.415 2.480 20 30 EEEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC001033795183 1195284926 /nfs/dbraw/zinc/28/49/26/1195284926.db2.gz KVMGJRREVWHFHS-DZGCQCFKSA-N 1 2 341.415 2.480 20 30 EEEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2cc(OC)ns2)CC1 ZINC001005408624 1195394300 /nfs/dbraw/zinc/39/43/00/1195394300.db2.gz FBUKUKCBFCWHMK-UHFFFAOYSA-N 1 2 329.853 2.441 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001033953719 1195554547 /nfs/dbraw/zinc/55/45/47/1195554547.db2.gz GDLLNMFXFLXOCS-XHSDSOJGSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001033953719 1195554551 /nfs/dbraw/zinc/55/45/51/1195554551.db2.gz GDLLNMFXFLXOCS-XHSDSOJGSA-N 1 2 349.500 2.465 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001033964473 1195590586 /nfs/dbraw/zinc/59/05/86/1195590586.db2.gz UHGJVZYPPIPACL-RBSFLKMASA-N 1 2 336.867 2.199 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001033964473 1195590590 /nfs/dbraw/zinc/59/05/90/1195590590.db2.gz UHGJVZYPPIPACL-RBSFLKMASA-N 1 2 336.867 2.199 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2cc3ccccc3o2)C1 ZINC001108109676 1195646935 /nfs/dbraw/zinc/64/69/35/1195646935.db2.gz AFZAYSAHOVRLAW-IBGZPJMESA-N 1 2 328.412 2.368 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2cc3ccccc3o2)C1 ZINC001108109676 1195646938 /nfs/dbraw/zinc/64/69/38/1195646938.db2.gz AFZAYSAHOVRLAW-IBGZPJMESA-N 1 2 328.412 2.368 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2Cc3cccnc3C2)C1 ZINC001034026527 1195654595 /nfs/dbraw/zinc/65/45/95/1195654595.db2.gz RWQXRXZBOHOWCD-HZPDHXFCSA-N 1 2 333.863 2.472 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2Cc3cccnc3C2)C1 ZINC001034026527 1195654596 /nfs/dbraw/zinc/65/45/96/1195654596.db2.gz RWQXRXZBOHOWCD-HZPDHXFCSA-N 1 2 333.863 2.472 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2cc3ccccc3o2)C1 ZINC001108110795 1195664860 /nfs/dbraw/zinc/66/48/60/1195664860.db2.gz UOFHIOUZTMOUQW-HXUWFJFHSA-N 1 2 340.423 2.206 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2cc3ccccc3o2)C1 ZINC001108110795 1195664864 /nfs/dbraw/zinc/66/48/64/1195664864.db2.gz UOFHIOUZTMOUQW-HXUWFJFHSA-N 1 2 340.423 2.206 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+]([C@@H](C)c3nncn3C)C2)C1 ZINC001034389723 1196176058 /nfs/dbraw/zinc/17/60/58/1196176058.db2.gz UZPPXPGHADKXJH-LSDHHAIUSA-N 1 2 331.464 2.203 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+]([C@@H](C)c3nncn3C)C2)C1 ZINC001034389723 1196176061 /nfs/dbraw/zinc/17/60/61/1196176061.db2.gz UZPPXPGHADKXJH-LSDHHAIUSA-N 1 2 331.464 2.203 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2coc(COC)n2)C1 ZINC001034467874 1196248063 /nfs/dbraw/zinc/24/80/63/1196248063.db2.gz NCXPLCOMKGEOQD-GFCCVEGCSA-N 1 2 327.812 2.158 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2coc(COC)n2)C1 ZINC001034467874 1196248066 /nfs/dbraw/zinc/24/80/66/1196248066.db2.gz NCXPLCOMKGEOQD-GFCCVEGCSA-N 1 2 327.812 2.158 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](Cc3nccs3)C2)nc1 ZINC001034492239 1196281838 /nfs/dbraw/zinc/28/18/38/1196281838.db2.gz ARPRUYSOORWYPV-OAHLLOKOSA-N 1 2 340.452 2.304 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3nccs3)C2)nc1 ZINC001034492239 1196281842 /nfs/dbraw/zinc/28/18/42/1196281842.db2.gz ARPRUYSOORWYPV-OAHLLOKOSA-N 1 2 340.452 2.304 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cn(C)nc2Cl)C1 ZINC001034482924 1196292187 /nfs/dbraw/zinc/29/21/87/1196292187.db2.gz NCTDLWBHHVXYQD-NSHDSACASA-N 1 2 331.247 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001034521317 1196349212 /nfs/dbraw/zinc/34/92/12/1196349212.db2.gz FRVRHGJQZIBENQ-CYBMUJFWSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001034521317 1196349217 /nfs/dbraw/zinc/34/92/17/1196349217.db2.gz FRVRHGJQZIBENQ-CYBMUJFWSA-N 1 2 333.823 2.295 20 30 EEEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccnc(Cl)c1F)CC2 ZINC001273206888 1197537316 /nfs/dbraw/zinc/53/73/16/1197537316.db2.gz SBKUARWQKQGYEZ-ZDUSSCGKSA-N 1 2 335.810 2.226 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc(COC)n3)C[C@H]21 ZINC001114349540 1197909330 /nfs/dbraw/zinc/90/93/30/1197909330.db2.gz YOZCZYVTGUDVII-HALDLXJZSA-N 1 2 335.473 2.192 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc(COC)n3)C[C@H]21 ZINC001114349540 1197909335 /nfs/dbraw/zinc/90/93/35/1197909335.db2.gz YOZCZYVTGUDVII-HALDLXJZSA-N 1 2 335.473 2.192 20 30 EEEDLO C=CCN1C[C@@]2(CC[N@@H+](Cc3ccc(F)c(F)c3F)C2)OCC1=O ZINC001273286867 1197958813 /nfs/dbraw/zinc/95/88/13/1197958813.db2.gz MFQSXHUQUQZVNC-KRWDZBQOSA-N 1 2 340.345 2.093 20 30 EEEDLO C=CCN1C[C@@]2(CC[N@H+](Cc3ccc(F)c(F)c3F)C2)OCC1=O ZINC001273286867 1197958817 /nfs/dbraw/zinc/95/88/17/1197958817.db2.gz MFQSXHUQUQZVNC-KRWDZBQOSA-N 1 2 340.345 2.093 20 30 EEEDLO C=CCN1C(=O)COCC12C[NH+](Cc1[nH]c3ccc(F)cc3c1C)C2 ZINC001273326580 1198185718 /nfs/dbraw/zinc/18/57/18/1198185718.db2.gz GUFFEJIGYSILEP-UHFFFAOYSA-N 1 2 343.402 2.215 20 30 EEEDLO N#Cc1ccc(C[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)cc1Cl ZINC000865559810 1198276780 /nfs/dbraw/zinc/27/67/80/1198276780.db2.gz VWBFHFLKWPIYKV-OAHLLOKOSA-N 1 2 331.807 2.272 20 30 EEEDLO Cc1nc(N2CCN(c3cc(F)c(C#N)cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000865677587 1198328377 /nfs/dbraw/zinc/32/83/77/1198328377.db2.gz CUONKTJOQWSZRA-UHFFFAOYSA-N 1 2 342.334 2.031 20 30 EEEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000875106516 1199139094 /nfs/dbraw/zinc/13/90/94/1199139094.db2.gz SSBDNQSHDGKBLZ-RHSMWYFYSA-N 1 2 330.432 2.029 20 30 EEEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000875106516 1199139095 /nfs/dbraw/zinc/13/90/95/1199139095.db2.gz SSBDNQSHDGKBLZ-RHSMWYFYSA-N 1 2 330.432 2.029 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001132042073 1199227007 /nfs/dbraw/zinc/22/70/07/1199227007.db2.gz PLNFFHTVKKJYHQ-HOCLYGCPSA-N 1 2 349.862 2.244 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001132042073 1199227011 /nfs/dbraw/zinc/22/70/11/1199227011.db2.gz PLNFFHTVKKJYHQ-HOCLYGCPSA-N 1 2 349.862 2.244 20 30 EEEDLO COc1cc(C[N@@H+]2C[C@H](NC(=O)C#CC3CC3)CC[C@H]2C)sn1 ZINC001132045702 1199251440 /nfs/dbraw/zinc/25/14/40/1199251440.db2.gz HORLNQYOCHTGIO-TZMCWYRMSA-N 1 2 333.457 2.034 20 30 EEEDLO COc1cc(C[N@H+]2C[C@H](NC(=O)C#CC3CC3)CC[C@H]2C)sn1 ZINC001132045702 1199251444 /nfs/dbraw/zinc/25/14/44/1199251444.db2.gz HORLNQYOCHTGIO-TZMCWYRMSA-N 1 2 333.457 2.034 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132235627 1199482418 /nfs/dbraw/zinc/48/24/18/1199482418.db2.gz QQZKGFPPBOGHLF-SJORKVTESA-N 1 2 349.519 2.311 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC001132235627 1199482421 /nfs/dbraw/zinc/48/24/21/1199482421.db2.gz QQZKGFPPBOGHLF-SJORKVTESA-N 1 2 349.519 2.311 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCC(=O)NCCC)CC[C@H]1C ZINC001132441484 1199726768 /nfs/dbraw/zinc/72/67/68/1199726768.db2.gz PWYLNHIRSOUBIQ-KGLIPLIRSA-N 1 2 329.872 2.014 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCC(=O)NCCC)CC[C@H]1C ZINC001132441484 1199726771 /nfs/dbraw/zinc/72/67/71/1199726771.db2.gz PWYLNHIRSOUBIQ-KGLIPLIRSA-N 1 2 329.872 2.014 20 30 EEEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]Cc1nc(-c2cccs2)no1 ZINC001132576544 1199874624 /nfs/dbraw/zinc/87/46/24/1199874624.db2.gz LDRRTNXGUKUTHJ-NEPJUHHUSA-N 1 2 334.445 2.462 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]Cc1noc(-c2ccccc2)n1 ZINC001132577687 1199875150 /nfs/dbraw/zinc/87/51/50/1199875150.db2.gz YVAYUJIOXOJCIW-ZIAGYGMSSA-N 1 2 328.416 2.401 20 30 EEEDLO N#Cc1ccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)nc1 ZINC000811318219 1199971719 /nfs/dbraw/zinc/97/17/19/1199971719.db2.gz HQBSZRRSXRLAFN-UHFFFAOYSA-N 1 2 331.379 2.057 20 30 EEEDLO C#C[C@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(C)(C)C ZINC000811991697 1200428553 /nfs/dbraw/zinc/42/85/53/1200428553.db2.gz PLZCDTFEHLMYQG-MSOLQXFVSA-N 1 2 343.471 2.235 20 30 EEEDLO C#C[C@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(C)(C)C ZINC000811991697 1200428560 /nfs/dbraw/zinc/42/85/60/1200428560.db2.gz PLZCDTFEHLMYQG-MSOLQXFVSA-N 1 2 343.471 2.235 20 30 EEEDLO C=CCCC1(C(=O)NCC[NH2+]Cc2nc([C@H](C)OCC)no2)CC1 ZINC001133374365 1200813131 /nfs/dbraw/zinc/81/31/31/1200813131.db2.gz UXULMNHWRWOSOY-ZDUSSCGKSA-N 1 2 336.436 2.119 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)c2csc(-c3ccc(C)o3)n2)CC1 ZINC000127880008 1201163344 /nfs/dbraw/zinc/16/33/44/1201163344.db2.gz DWSMTQCCLJQUJO-UHFFFAOYSA-N 1 2 329.425 2.493 20 30 EEEDLO C=CCn1c(C)nn(CN2CC[C@@H](Oc3cc[nH+]cc3)C2)c1=S ZINC000121171108 1201578988 /nfs/dbraw/zinc/57/89/88/1201578988.db2.gz QEEQMHUYKZHBMH-OAHLLOKOSA-N 1 2 331.445 2.414 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883727486 1202117700 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346.434 2.172 20 30 EEEDLO Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)nn1 ZINC001095399384 1204888480 /nfs/dbraw/zinc/88/84/80/1204888480.db2.gz ADUAXIXCDUNCFM-HOJAQTOUSA-N 1 2 346.434 2.172 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)NCC1(C)CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110866543 1204941238 /nfs/dbraw/zinc/94/12/38/1204941238.db2.gz HDFKNEWNXDYMIN-HNNXBMFYSA-N 1 2 346.475 2.489 20 30 EEEDLO C=CCO[C@H](C)C(=O)NCC1(C)CCN(c2cc[nH+]c(C)n2)CC1 ZINC001110880327 1204958079 /nfs/dbraw/zinc/95/80/79/1204958079.db2.gz HXMACMKEFLHGLR-CQSZACIVSA-N 1 2 332.448 2.099 20 30 EEEDLO CCCCN1C(=O)COCC12C[NH+](Cc1ccc(C#N)c(CC)c1)C2 ZINC001274602867 1205093675 /nfs/dbraw/zinc/09/36/75/1205093675.db2.gz UXVFGCKJXWJKLR-UHFFFAOYSA-N 1 2 341.455 2.334 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(C#N)ccc1O ZINC001274667532 1205125050 /nfs/dbraw/zinc/12/50/50/1205125050.db2.gz PCWDMLZZCNFLCN-IBGZPJMESA-N 1 2 325.412 2.407 20 30 EEEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C#N)ccc1O ZINC001274667532 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326.375 2.338 20 30 EEEDLO Cc1[nH]ccc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010501252 1223750300 /nfs/dbraw/zinc/75/03/00/1223750300.db2.gz SKYFNOLDTBHSFX-HNNXBMFYSA-N 1 2 326.375 2.338 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)c3cncc(F)c3)C2)c1 ZINC001010525848 1223764828 /nfs/dbraw/zinc/76/48/28/1223764828.db2.gz DSQVYYFZELXDMY-INIZCTEOSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)c3cncc(F)c3)C2)c1 ZINC001010525848 1223764831 /nfs/dbraw/zinc/76/48/31/1223764831.db2.gz DSQVYYFZELXDMY-INIZCTEOSA-N 1 2 342.349 2.236 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)[nH]1 ZINC001010650731 1223832847 /nfs/dbraw/zinc/83/28/47/1223832847.db2.gz MOHYDULGFHIJLL-ZDUSSCGKSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)[nH]1 ZINC001010650731 1223832848 /nfs/dbraw/zinc/83/28/48/1223832848.db2.gz MOHYDULGFHIJLL-ZDUSSCGKSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(O)ccc3Cl)C2)c[nH]1 ZINC001010694230 1223854537 /nfs/dbraw/zinc/85/45/37/1223854537.db2.gz CAUMMHVLEVUNHJ-CYBMUJFWSA-N 1 2 344.802 2.250 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(O)ccc3Cl)C2)c[nH]1 ZINC001010694230 1223854540 /nfs/dbraw/zinc/85/45/40/1223854540.db2.gz CAUMMHVLEVUNHJ-CYBMUJFWSA-N 1 2 344.802 2.250 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)ns1 ZINC001010771444 1223900033 /nfs/dbraw/zinc/90/00/33/1223900033.db2.gz BYCGMGSSKBWEHU-NSHDSACASA-N 1 2 332.454 2.389 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)ns1 ZINC001010771444 1223900035 /nfs/dbraw/zinc/90/00/35/1223900035.db2.gz BYCGMGSSKBWEHU-NSHDSACASA-N 1 2 332.454 2.389 20 30 EEEDLO CCOC1CC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001010867605 1223947280 /nfs/dbraw/zinc/94/72/80/1223947280.db2.gz XHACMIASIQWNLI-ADKAHSJRSA-N 1 2 327.428 2.064 20 30 EEEDLO CCOC1CC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001010867605 1223947283 /nfs/dbraw/zinc/94/72/83/1223947283.db2.gz XHACMIASIQWNLI-ADKAHSJRSA-N 1 2 327.428 2.064 20 30 EEEDLO C=CCCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001066986457 1223949560 /nfs/dbraw/zinc/94/95/60/1223949560.db2.gz DVVCGPOTHDLNEE-AWEZNQCLSA-N 1 2 332.448 2.103 20 30 EEEDLO CCc1noc(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001016228361 1226229552 /nfs/dbraw/zinc/22/95/52/1226229552.db2.gz GTBAPFWRVTVARU-GFCCVEGCSA-N 1 2 344.440 2.483 20 30 EEEDLO CCc1noc(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001016228361 1226229560 /nfs/dbraw/zinc/22/95/60/1226229560.db2.gz GTBAPFWRVTVARU-GFCCVEGCSA-N 1 2 344.440 2.483 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1-c1cn[nH]c1 ZINC001017609277 1227568673 /nfs/dbraw/zinc/56/86/73/1227568673.db2.gz YBULDPXLILFOBU-CALCHBBNSA-N 1 2 334.423 2.389 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1-c1cn[nH]c1 ZINC001017609277 1227568679 /nfs/dbraw/zinc/56/86/79/1227568679.db2.gz YBULDPXLILFOBU-CALCHBBNSA-N 1 2 334.423 2.389 20 30 EEEDLO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sc2nccn2c1C ZINC001017625842 1227582381 /nfs/dbraw/zinc/58/23/81/1227582381.db2.gz WBEDOLONNRYUHI-OKILXGFUSA-N 1 2 328.441 2.016 20 30 EEEDLO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sc2nccn2c1C ZINC001017625842 1227582385 /nfs/dbraw/zinc/58/23/85/1227582385.db2.gz WBEDOLONNRYUHI-OKILXGFUSA-N 1 2 328.441 2.016 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)[nH]nc1C(F)(F)F ZINC001017739840 1227692091 /nfs/dbraw/zinc/69/20/91/1227692091.db2.gz RVNYTVPUOFLMAS-TXEJJXNPSA-N 1 2 340.349 2.049 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)[nH]nc1C(F)(F)F ZINC001017739840 1227692093 /nfs/dbraw/zinc/69/20/93/1227692093.db2.gz RVNYTVPUOFLMAS-TXEJJXNPSA-N 1 2 340.349 2.049 20 30 EEEDLO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)c2c(C)n[nH]c2C(F)(F)F)C1 ZINC001019155966 1228809770 /nfs/dbraw/zinc/80/97/70/1228809770.db2.gz IFMHRGUYSWFUPP-VIFPVBQESA-N 1 2 336.745 2.294 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nnc(C(F)(F)F)s2)C1 ZINC001019236938 1228902606 /nfs/dbraw/zinc/90/26/06/1228902606.db2.gz JIQYWKGVCRWJLF-VIFPVBQESA-N 1 2 348.394 2.460 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001019498667 1229155196 /nfs/dbraw/zinc/15/51/96/1229155196.db2.gz MACGYCUMWBQZLE-MPGHIAIKSA-N 1 2 345.443 2.224 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001038360518 1229768003 /nfs/dbraw/zinc/76/80/03/1229768003.db2.gz PPPQOJBOPUQUQH-KURKYZTESA-N 1 2 327.428 2.064 20 30 EEEDLO CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001038360518 1229768006 /nfs/dbraw/zinc/76/80/06/1229768006.db2.gz PPPQOJBOPUQUQH-KURKYZTESA-N 1 2 327.428 2.064 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(OC)nc2)cc1 ZINC001038577707 1229925435 /nfs/dbraw/zinc/92/54/35/1229925435.db2.gz CUZZVYNFSMUCAW-GOSISDBHSA-N 1 2 335.407 2.076 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(OC)nc2)cc1 ZINC001038577707 1229925438 /nfs/dbraw/zinc/92/54/38/1229925438.db2.gz CUZZVYNFSMUCAW-GOSISDBHSA-N 1 2 335.407 2.076 20 30 EEEDLO Cc1coc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(OCC#N)cc2)c1 ZINC001038611523 1229938684 /nfs/dbraw/zinc/93/86/84/1229938684.db2.gz QAJLVXGOFIWGEY-MRXNPFEDSA-N 1 2 339.395 2.495 20 30 EEEDLO Cc1coc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(OCC#N)cc2)c1 ZINC001038611523 1229938686 /nfs/dbraw/zinc/93/86/86/1229938686.db2.gz QAJLVXGOFIWGEY-MRXNPFEDSA-N 1 2 339.395 2.495 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ocnc2C2CC2)cc1 ZINC001038704268 1229986553 /nfs/dbraw/zinc/98/65/53/1229986553.db2.gz CRJHNEAPSAXXHX-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ocnc2C2CC2)cc1 ZINC001038704268 1229986554 /nfs/dbraw/zinc/98/65/54/1229986554.db2.gz CRJHNEAPSAXXHX-MRXNPFEDSA-N 1 2 336.395 2.428 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC(C)(Nc3cc[nH+]c(C)n3)CC2)nc1 ZINC001067266915 1230018065 /nfs/dbraw/zinc/01/80/65/1230018065.db2.gz DWKQUQNRPKXJQG-UHFFFAOYSA-N 1 2 335.411 2.268 20 30 EEEDLO C=C(Cl)CN1CC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001038865012 1230119586 /nfs/dbraw/zinc/11/95/86/1230119586.db2.gz FOFDOURWQQXNOR-MRXNPFEDSA-N 1 2 330.819 2.429 20 30 EEEDLO CCc1onc(C)c1C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001039009928 1230232734 /nfs/dbraw/zinc/23/27/34/1230232734.db2.gz PHAJUBDLPHCCMN-MRXNPFEDSA-N 1 2 338.411 2.421 20 30 EEEDLO CCc1onc(C)c1C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C#N)c1 ZINC001039009928 1230232738 /nfs/dbraw/zinc/23/27/38/1230232738.db2.gz PHAJUBDLPHCCMN-MRXNPFEDSA-N 1 2 338.411 2.421 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2c1CCC2 ZINC001039382115 1230567077 /nfs/dbraw/zinc/56/70/77/1230567077.db2.gz AYZVPQUHCSWZKL-KGLIPLIRSA-N 1 2 334.851 2.261 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2c1CCC2 ZINC001039382115 1230567080 /nfs/dbraw/zinc/56/70/80/1230567080.db2.gz AYZVPQUHCSWZKL-KGLIPLIRSA-N 1 2 334.851 2.261 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1snnc1C1CC1 ZINC001039389523 1230573784 /nfs/dbraw/zinc/57/37/84/1230573784.db2.gz XKSSPUJFUUXTCI-KGLIPLIRSA-N 1 2 330.457 2.118 20 30 EEEDLO CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1snnc1C1CC1 ZINC001039389523 1230573788 /nfs/dbraw/zinc/57/37/88/1230573788.db2.gz XKSSPUJFUUXTCI-KGLIPLIRSA-N 1 2 330.457 2.118 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001039424204 1230601450 /nfs/dbraw/zinc/60/14/50/1230601450.db2.gz GGQHVMYIMOUYKB-HZSPNIEDSA-N 1 2 349.866 2.042 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001039424204 1230601455 /nfs/dbraw/zinc/60/14/55/1230601455.db2.gz GGQHVMYIMOUYKB-HZSPNIEDSA-N 1 2 349.866 2.042 20 30 EEEDLO Cc1nsc(NC2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c1C#N ZINC001067298731 1230637081 /nfs/dbraw/zinc/63/70/81/1230637081.db2.gz YKUDYVCZMPWLJU-UHFFFAOYSA-N 1 2 344.444 2.082 20 30 EEEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H](O)c1ccccc1F ZINC001039531307 1230679850 /nfs/dbraw/zinc/67/98/50/1230679850.db2.gz LZHBPCLRYCAOPB-OIPACUDHSA-N 1 2 345.418 2.084 20 30 EEEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccccc1F ZINC001039531307 1230679851 /nfs/dbraw/zinc/67/98/51/1230679851.db2.gz LZHBPCLRYCAOPB-OIPACUDHSA-N 1 2 345.418 2.084 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)NC1CC1 ZINC001039822655 1230835510 /nfs/dbraw/zinc/83/55/10/1230835510.db2.gz HMVJVOIPXVMSAT-BHYGNILZSA-N 1 2 347.503 2.321 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)NC1CC1 ZINC001039822655 1230835515 /nfs/dbraw/zinc/83/55/15/1230835515.db2.gz HMVJVOIPXVMSAT-BHYGNILZSA-N 1 2 347.503 2.321 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)CC2(C)C)c1 ZINC001067338216 1231454965 /nfs/dbraw/zinc/45/49/65/1231454965.db2.gz OYSZPFLHORFPQH-KRWDZBQOSA-N 1 2 349.438 2.196 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H](Nc3cc[nH+]c(C)n3)C23CCC3)cn1 ZINC001041597124 1231616372 /nfs/dbraw/zinc/61/63/72/1231616372.db2.gz GMBMVPOIMVSIBC-DLBZAZTESA-N 1 2 347.422 2.314 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(F)F)C[C@@H]21 ZINC001041890351 1231749805 /nfs/dbraw/zinc/74/98/05/1231749805.db2.gz CUFSRKPBIOKROU-MNOVXSKESA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(F)F)C[C@@H]21 ZINC001041890351 1231749806 /nfs/dbraw/zinc/74/98/06/1231749806.db2.gz CUFSRKPBIOKROU-MNOVXSKESA-N 1 2 337.208 2.473 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H]2CCN(C(=O)CSC)C[C@H]21 ZINC001041921279 1231766696 /nfs/dbraw/zinc/76/66/96/1231766696.db2.gz URRCPYRKYDCELV-NWDGAFQWSA-N 1 2 333.295 2.181 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H]2CCN(C(=O)CSC)C[C@H]21 ZINC001041921279 1231766698 /nfs/dbraw/zinc/76/66/98/1231766698.db2.gz URRCPYRKYDCELV-NWDGAFQWSA-N 1 2 333.295 2.181 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](Cc4cscn4)[C@H]3C2)c[nH]1 ZINC001042018780 1231834933 /nfs/dbraw/zinc/83/49/33/1231834933.db2.gz OGHLVVQLGMEKHO-WBMJQRKESA-N 1 2 341.440 2.079 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cscn4)[C@H]3C2)c[nH]1 ZINC001042018780 1231834935 /nfs/dbraw/zinc/83/49/35/1231834935.db2.gz OGHLVVQLGMEKHO-WBMJQRKESA-N 1 2 341.440 2.079 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](Cc4nccs4)[C@H]3C2)c[nH]1 ZINC001042020540 1231835670 /nfs/dbraw/zinc/83/56/70/1231835670.db2.gz WXNGCHNVBTYRCA-DOMZBBRYSA-N 1 2 341.440 2.079 20 30 EEEDLO N#Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nccs4)[C@H]3C2)c[nH]1 ZINC001042020540 1231835673 /nfs/dbraw/zinc/83/56/73/1231835673.db2.gz WXNGCHNVBTYRCA-DOMZBBRYSA-N 1 2 341.440 2.079 20 30 EEEDLO C#CCOc1ccc(C(=O)N(C)C2C[NH+](C[C@@H]3CC[C@H](C)O3)C2)cc1 ZINC001044020024 1232673593 /nfs/dbraw/zinc/67/35/93/1232673593.db2.gz KTCTUUWSISGJEZ-KXBFYZLASA-N 1 2 342.439 2.022 20 30 EEEDLO C=CCCn1cc(C(=O)N(C)C2C[NH+](CC3=CCCCC3)C2)nn1 ZINC001044028453 1232678941 /nfs/dbraw/zinc/67/89/41/1232678941.db2.gz RCWLMCDKZXXAGA-UHFFFAOYSA-N 1 2 329.448 2.111 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCCN(CC)c1cc[nH+]c(C)n1 ZINC001095976933 1232918690 /nfs/dbraw/zinc/91/86/90/1232918690.db2.gz BLHAILACJVMQTD-CVEARBPZSA-N 1 2 332.448 2.099 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@H]2C[NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001045190678 1233569191 /nfs/dbraw/zinc/56/91/91/1233569191.db2.gz JFQRUDASPNUDBT-AWEZNQCLSA-N 1 2 330.432 2.384 20 30 EEEDLO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c(Cl)c1 ZINC001046066117 1234398300 /nfs/dbraw/zinc/39/83/00/1234398300.db2.gz YPCLCXSLUBVONU-OAHLLOKOSA-N 1 2 346.862 2.004 20 30 EEEDLO Cc1nnsc1C(=O)N[C@]1(C)CC[N@H+](CC#Cc2ccccc2)C1 ZINC001046129815 1234474714 /nfs/dbraw/zinc/47/47/14/1234474714.db2.gz ALMIKCZELINDOT-GOSISDBHSA-N 1 2 340.452 2.092 20 30 EEEDLO Cc1nnsc1C(=O)N[C@]1(C)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001046129815 1234474716 /nfs/dbraw/zinc/47/47/16/1234474716.db2.gz ALMIKCZELINDOT-GOSISDBHSA-N 1 2 340.452 2.092 20 30 EEEDLO CC(C)c1ocnc1C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046222452 1234569102 /nfs/dbraw/zinc/56/91/02/1234569102.db2.gz AOBKQNICWLCJHD-GOSISDBHSA-N 1 2 341.415 2.392 20 30 EEEDLO CC(C)c1ocnc1C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046222452 1234569105 /nfs/dbraw/zinc/56/91/05/1234569105.db2.gz AOBKQNICWLCJHD-GOSISDBHSA-N 1 2 341.415 2.392 20 30 EEEDLO CCc1nc(C[N@@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC001046240893 1234586902 /nfs/dbraw/zinc/58/69/02/1234586902.db2.gz WCDUASOCPHBCGQ-QGZVFWFLSA-N 1 2 343.456 2.300 20 30 EEEDLO CCc1nc(C[N@H+]2CC[C@@](C)(NC(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC001046240893 1234586906 /nfs/dbraw/zinc/58/69/06/1234586906.db2.gz WCDUASOCPHBCGQ-QGZVFWFLSA-N 1 2 343.456 2.300 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001046371215 1234718944 /nfs/dbraw/zinc/71/89/44/1234718944.db2.gz HFQYARXIDLPCTB-QGZVFWFLSA-N 1 2 347.850 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001046371215 1234718950 /nfs/dbraw/zinc/71/89/50/1234718950.db2.gz HFQYARXIDLPCTB-QGZVFWFLSA-N 1 2 347.850 2.362 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccn(CC)n3)C2)cc1 ZINC001046533172 1234914382 /nfs/dbraw/zinc/91/43/82/1234914382.db2.gz ICOOEPPSSJUEFG-HXUWFJFHSA-N 1 2 336.439 2.279 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccn(CC)n3)C2)cc1 ZINC001046533172 1234914385 /nfs/dbraw/zinc/91/43/85/1234914385.db2.gz ICOOEPPSSJUEFG-HXUWFJFHSA-N 1 2 336.439 2.279 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC001046671851 1235059670 /nfs/dbraw/zinc/05/96/70/1235059670.db2.gz ZJPPXBRNRMMWSN-WBVHZDCISA-N 1 2 338.810 2.462 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC001046671851 1235059672 /nfs/dbraw/zinc/05/96/72/1235059672.db2.gz ZJPPXBRNRMMWSN-WBVHZDCISA-N 1 2 338.810 2.462 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001046702625 1235088561 /nfs/dbraw/zinc/08/85/61/1235088561.db2.gz NXZQANWTTGLIAC-GFCCVEGCSA-N 1 2 336.745 2.375 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001046702625 1235088562 /nfs/dbraw/zinc/08/85/62/1235088562.db2.gz NXZQANWTTGLIAC-GFCCVEGCSA-N 1 2 336.745 2.375 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2nc3ccccn3c2F)C1 ZINC001046750366 1235147136 /nfs/dbraw/zinc/14/71/36/1235147136.db2.gz VCZRKLAEDMVEQV-MRXNPFEDSA-N 1 2 336.798 2.420 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2nc3ccccn3c2F)C1 ZINC001046750366 1235147138 /nfs/dbraw/zinc/14/71/38/1235147138.db2.gz VCZRKLAEDMVEQV-MRXNPFEDSA-N 1 2 336.798 2.420 20 30 EEEDLO CC(C)(C(=O)N1CCC[C@H](C2CCN(CC#N)CC2)C1)c1c[nH+]c[nH]1 ZINC001047263596 1235774172 /nfs/dbraw/zinc/77/41/72/1235774172.db2.gz IQBASRXQKJBGBV-INIZCTEOSA-N 1 2 343.475 2.161 20 30 EEEDLO Cc1nc(N(C)C[C@@H]2CCCN2C(=O)[C@@H](C)C#N)c2c([nH+]1)CCCC2 ZINC001067743029 1249487729 /nfs/dbraw/zinc/48/77/29/1249487729.db2.gz TYSBRHGYSRJUMG-ZFWWWQNUSA-N 1 2 341.459 2.251 20 30 EEEDLO CCCCCCCCC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC001096283976 1237076523 /nfs/dbraw/zinc/07/65/23/1237076523.db2.gz YEGPXBAKEMZGTD-UHFFFAOYSA-N 1 2 347.507 2.465 20 30 EEEDLO CC(C)[C@H](C)C(=O)NCC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC001096288885 1237134959 /nfs/dbraw/zinc/13/49/59/1237134959.db2.gz AXYFWSUORAASTG-HNNXBMFYSA-N 1 2 346.450 2.228 20 30 EEEDLO CC(C)[C@@H](C)C(=O)NCC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC001096288886 1237135098 /nfs/dbraw/zinc/13/50/98/1237135098.db2.gz AXYFWSUORAASTG-OAHLLOKOSA-N 1 2 346.450 2.228 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001067806662 1249662290 /nfs/dbraw/zinc/66/22/90/1249662290.db2.gz OAIUWSRNTGPQPA-RYRKJORJSA-N 1 2 344.459 2.193 20 30 EEEDLO Cc1nc(N2CCC[C@@H](C3CCN(C(=O)[C@H](C)C#N)CC3)C2)cc[nH+]1 ZINC001067820866 1249699605 /nfs/dbraw/zinc/69/96/05/1249699605.db2.gz HEKNGNKTKVIKRT-RHSMWYFYSA-N 1 2 341.459 2.400 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001056479725 1239401750 /nfs/dbraw/zinc/40/17/50/1239401750.db2.gz URISMUKMAPITMG-HUUCEWRRSA-N 1 2 344.459 2.245 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3CC(C)C)C[C@@H]2C1 ZINC001048979115 1239644038 /nfs/dbraw/zinc/64/40/38/1239644038.db2.gz NNUDRPNZZXVIRN-IYBDPMFKSA-N 1 2 345.491 2.037 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3CC(C)C)C[C@@H]2C1 ZINC001048979115 1239644046 /nfs/dbraw/zinc/64/40/46/1239644046.db2.gz NNUDRPNZZXVIRN-IYBDPMFKSA-N 1 2 345.491 2.037 20 30 EEEDLO N#Cc1c(F)cccc1N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001056810293 1240200138 /nfs/dbraw/zinc/20/01/38/1240200138.db2.gz KIPHFNSUMHQXPP-JHJVBQTASA-N 1 2 339.374 2.237 20 30 EEEDLO N#Cc1c(F)cccc1N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001056810293 1240200142 /nfs/dbraw/zinc/20/01/42/1240200142.db2.gz KIPHFNSUMHQXPP-JHJVBQTASA-N 1 2 339.374 2.237 20 30 EEEDLO Cc1nc(C[N@H+]2CC=C(CNC(=O)c3ccc(C#N)[nH]3)CC2)cs1 ZINC001000594941 1240565269 /nfs/dbraw/zinc/56/52/69/1240565269.db2.gz WYNPUCFJPMLUHV-UHFFFAOYSA-N 1 2 341.440 2.213 20 30 EEEDLO Cc1nc(C[N@@H+]2CC=C(CNC(=O)c3ccc(C#N)[nH]3)CC2)cs1 ZINC001000594941 1240565272 /nfs/dbraw/zinc/56/52/72/1240565272.db2.gz WYNPUCFJPMLUHV-UHFFFAOYSA-N 1 2 341.440 2.213 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2ccn(CC(F)F)n2)CC1 ZINC001000811956 1240975674 /nfs/dbraw/zinc/97/56/74/1240975674.db2.gz AKHGLNZHUPTPRN-UHFFFAOYSA-N 1 2 344.793 2.263 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2ccn(CC(F)F)n2)CC1 ZINC001000811956 1240975685 /nfs/dbraw/zinc/97/56/85/1240975685.db2.gz AKHGLNZHUPTPRN-UHFFFAOYSA-N 1 2 344.793 2.263 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cnn(C)c2CCC)CC1 ZINC001000901791 1241166266 /nfs/dbraw/zinc/16/62/66/1241166266.db2.gz QGDLHYDMSSNMAB-UHFFFAOYSA-N 1 2 336.867 2.487 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cnn(C)c2CCC)CC1 ZINC001000901791 1241166268 /nfs/dbraw/zinc/16/62/68/1241166268.db2.gz QGDLHYDMSSNMAB-UHFFFAOYSA-N 1 2 336.867 2.487 20 30 EEEDLO C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049511172 1241173693 /nfs/dbraw/zinc/17/36/93/1241173693.db2.gz LMBUWHWURGYJCK-JKSUJKDBSA-N 1 2 331.485 2.122 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cnn(CC)n1 ZINC001049635967 1241720004 /nfs/dbraw/zinc/72/00/04/1241720004.db2.gz XKCFPKKLHINVTQ-IRXDYDNUSA-N 1 2 345.491 2.466 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cnn(CC)n1 ZINC001049635967 1241720012 /nfs/dbraw/zinc/72/00/12/1241720012.db2.gz XKCFPKKLHINVTQ-IRXDYDNUSA-N 1 2 345.491 2.466 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1(C)C ZINC001073343752 1242366513 /nfs/dbraw/zinc/36/65/13/1242366513.db2.gz XWDUPVOKWSSREB-ZBFHGGJFSA-N 1 2 346.475 2.298 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001073343752 1242366518 /nfs/dbraw/zinc/36/65/18/1242366518.db2.gz XWDUPVOKWSSREB-ZBFHGGJFSA-N 1 2 346.475 2.298 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001067918068 1249970937 /nfs/dbraw/zinc/97/09/37/1249970937.db2.gz SWZYUGGHNABLFP-JKSUJKDBSA-N 1 2 348.491 2.118 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001073403666 1242437434 /nfs/dbraw/zinc/43/74/34/1242437434.db2.gz XERPEDDXGJUUNH-HNNXBMFYSA-N 1 2 346.475 2.229 20 30 EEEDLO N#Cc1ccc(N[C@H]2CCCCCN(C(=O)Cn3cc[nH+]c3)C2)nc1 ZINC001049916342 1242697673 /nfs/dbraw/zinc/69/76/73/1242697673.db2.gz XNBKLIVEMFDOHC-INIZCTEOSA-N 1 2 338.415 2.033 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(C)c1C1CC1)C2 ZINC001096660864 1243115742 /nfs/dbraw/zinc/11/57/42/1243115742.db2.gz OALUTCBCRCAZJO-SNPRPXQTSA-N 1 2 334.851 2.385 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(C)c1C1CC1)C2 ZINC001096660864 1243115749 /nfs/dbraw/zinc/11/57/49/1243115749.db2.gz OALUTCBCRCAZJO-SNPRPXQTSA-N 1 2 334.851 2.385 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@H](Nc1[nH+]cnc2c1cnn2C)C1CC1 ZINC001096778208 1243245911 /nfs/dbraw/zinc/24/59/11/1243245911.db2.gz HQEOSRHWVOEUFF-WFASDCNBSA-N 1 2 342.447 2.272 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CCC(Nc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001057415181 1243680492 /nfs/dbraw/zinc/68/04/92/1243680492.db2.gz GGDCPEXZQPNSOA-SFHVURJKSA-N 1 2 346.479 2.251 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001097248286 1243862348 /nfs/dbraw/zinc/86/23/48/1243862348.db2.gz FBKPIGYCERNZKN-KSMMKXTCSA-N 1 2 343.475 2.126 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001097248286 1243862358 /nfs/dbraw/zinc/86/23/58/1243862358.db2.gz FBKPIGYCERNZKN-KSMMKXTCSA-N 1 2 343.475 2.126 20 30 EEEDLO Cc1cc(NCC2CCN(C(=O)[C@H](C)C#N)CC2)nc(C2CC2)[nH+]1 ZINC001057478621 1243918915 /nfs/dbraw/zinc/91/89/15/1243918915.db2.gz BZMBVIHSBXXSKT-GFCCVEGCSA-N 1 2 327.432 2.473 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC2(C1)CC[NH+](Cc1ncnn1CC)CC2 ZINC001050614033 1243959994 /nfs/dbraw/zinc/95/99/94/1243959994.db2.gz KHAXISNIZBGZHI-UHFFFAOYSA-N 1 2 345.491 2.325 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC001097314852 1243980993 /nfs/dbraw/zinc/98/09/93/1243980993.db2.gz XXKHRSPZWCKDKS-KRWDZBQOSA-N 1 2 348.450 2.342 20 30 EEEDLO C=C[C@@H](C)[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(c3nc(C)[nH+]c(C)c3C)C[C@H]21 ZINC001097583628 1244416048 /nfs/dbraw/zinc/41/60/48/1244416048.db2.gz FJJKSDTZNIZJMT-BXVRKOLZSA-N 1 2 328.460 2.411 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CCCC2CCCC2)[nH]1 ZINC001050879230 1244540538 /nfs/dbraw/zinc/54/05/38/1244540538.db2.gz KIZOJBYKUYKBBN-KRWDZBQOSA-N 1 2 344.459 2.287 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CCCC2CCCC2)[nH]1 ZINC001050879230 1244540550 /nfs/dbraw/zinc/54/05/50/1244540550.db2.gz KIZOJBYKUYKBBN-KRWDZBQOSA-N 1 2 344.459 2.287 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CC1=CCCCC1 ZINC001050924671 1244637966 /nfs/dbraw/zinc/63/79/66/1244637966.db2.gz JIWPVPSUCJVNSI-QRVBRYPASA-N 1 2 348.487 2.285 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1CC1=CCCCC1 ZINC001050924671 1244637980 /nfs/dbraw/zinc/63/79/80/1244637980.db2.gz JIWPVPSUCJVNSI-QRVBRYPASA-N 1 2 348.487 2.285 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)ccc1OC ZINC001051008236 1244837882 /nfs/dbraw/zinc/83/78/82/1244837882.db2.gz SQLURKJRMQHGKY-INIZCTEOSA-N 1 2 332.444 2.400 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)ccc1OC ZINC001051008236 1244837893 /nfs/dbraw/zinc/83/78/93/1244837893.db2.gz SQLURKJRMQHGKY-INIZCTEOSA-N 1 2 332.444 2.400 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccnc1C(F)F ZINC001051014124 1244852272 /nfs/dbraw/zinc/85/22/72/1244852272.db2.gz PPAOSJXYXRRTBO-ZDUSSCGKSA-N 1 2 339.386 2.416 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccnc1C(F)F ZINC001051014124 1244852275 /nfs/dbraw/zinc/85/22/75/1244852275.db2.gz PPAOSJXYXRRTBO-ZDUSSCGKSA-N 1 2 339.386 2.416 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2ccccc2nn1 ZINC001051052581 1244914763 /nfs/dbraw/zinc/91/47/63/1244914763.db2.gz KNDHYOROTSNRKG-MRXNPFEDSA-N 1 2 340.427 2.027 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2ccccc2nn1 ZINC001051052581 1244914765 /nfs/dbraw/zinc/91/47/65/1244914765.db2.gz KNDHYOROTSNRKG-MRXNPFEDSA-N 1 2 340.427 2.027 20 30 EEEDLO C=CCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001051102940 1244984194 /nfs/dbraw/zinc/98/41/94/1244984194.db2.gz CUZILOBEUXCJQC-UONOGXRCSA-N 1 2 340.427 2.496 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(CC)nc1C(C)C ZINC001051147010 1245045834 /nfs/dbraw/zinc/04/58/34/1245045834.db2.gz XSRXADGEDSKKCF-INIZCTEOSA-N 1 2 348.491 2.423 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(CC)nc1C(C)C ZINC001051147010 1245045845 /nfs/dbraw/zinc/04/58/45/1245045845.db2.gz XSRXADGEDSKKCF-INIZCTEOSA-N 1 2 348.491 2.423 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@@H+]([C@@H](C)c3nnc(C)[nH]3)C[C@@]2(C)C1 ZINC001101254135 1245578283 /nfs/dbraw/zinc/57/82/83/1245578283.db2.gz BDNYYHJTBLPYCY-JOQOYGCGSA-N 1 2 331.464 2.311 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H]2C[N@H+]([C@@H](C)c3nnc(C)[nH]3)C[C@@]2(C)C1 ZINC001101254135 1245578290 /nfs/dbraw/zinc/57/82/90/1245578290.db2.gz BDNYYHJTBLPYCY-JOQOYGCGSA-N 1 2 331.464 2.311 20 30 EEEDLO C=CCCCC(=O)N1C[C@H]2C[N@@H+](Cc3nnc(CC)o3)C[C@@]2(C)C1 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C=C(Br)C[NH+]1CCC(NC(=O)[C@H](C)CSC)CC1 ZINC001226580132 1301470564 /nfs/dbraw/zinc/47/05/64/1301470564.db2.gz UJYVPCSEEBMTLD-SNVBAGLBSA-N 1 2 335.311 2.475 20 30 EEEDLO CC(C)(C)C(=O)C(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001226633462 1301487446 /nfs/dbraw/zinc/48/74/46/1301487446.db2.gz SSYCONAZBRAYEE-UHFFFAOYSA-N 1 2 327.428 2.254 20 30 EEEDLO CC(C)(C)C(=O)C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001226633673 1301487940 /nfs/dbraw/zinc/48/79/40/1301487940.db2.gz WIBRJXUJUBKAQT-UHFFFAOYSA-N 1 2 326.440 2.234 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2[nH]c(=S)ncc2F)C1 ZINC001227383750 1301808023 /nfs/dbraw/zinc/80/80/23/1301808023.db2.gz RJQUVIRKHKPIAA-ZDUSSCGKSA-N 1 2 330.388 2.429 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2[nH]c(=S)ncc2F)C1 ZINC001227383750 1301808033 /nfs/dbraw/zinc/80/80/33/1301808033.db2.gz RJQUVIRKHKPIAA-ZDUSSCGKSA-N 1 2 330.388 2.429 20 30 EEEDLO C#CCC1(C(=O)NC2CC[NH+]([C@H](C)c3nnc(CC)o3)CC2)CCC1 ZINC001227753748 1301953510 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ZINC001231657984 1303882946 /nfs/dbraw/zinc/88/29/46/1303882946.db2.gz PPCFHFONWBAGPL-QGZVFWFLSA-N 1 2 330.428 2.393 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NCC1(Nc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC001111849381 1303993859 /nfs/dbraw/zinc/99/38/59/1303993859.db2.gz PTTNSJJJHCIVDN-HNNXBMFYSA-N 1 2 344.459 2.398 20 30 EEEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(Cl)c(OC)cc2O)CC1 ZINC001232270579 1304060559 /nfs/dbraw/zinc/06/05/59/1304060559.db2.gz GALMOCZQXSMKNQ-UHFFFAOYSA-N 1 2 338.791 2.333 20 30 EEEDLO CCc1nnc(CO[NH+]=C(N)c2ccc(Br)cc2)o1 ZINC000782948557 1304158653 /nfs/dbraw/zinc/15/86/53/1304158653.db2.gz KYTXCCPRGKYJEH-UHFFFAOYSA-N 1 2 325.166 2.232 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)n2)CC12CC2 ZINC001232923072 1304294140 /nfs/dbraw/zinc/29/41/40/1304294140.db2.gz ZSNAIULZODXBMD-OAHLLOKOSA-N 1 2 328.416 2.442 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)CC12CC2 ZINC001232923072 1304294145 /nfs/dbraw/zinc/29/41/45/1304294145.db2.gz ZSNAIULZODXBMD-OAHLLOKOSA-N 1 2 328.416 2.442 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@](CO)(Nc2cc[nH+]c(C)n2)C1 ZINC001112231604 1304355704 /nfs/dbraw/zinc/35/57/04/1304355704.db2.gz QZOVOEGLRWLHSO-KDOFPFPSSA-N 1 2 332.448 2.153 20 30 EEEDLO Cc1nc(-c2ccccn2)sc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000328727754 1304405688 /nfs/dbraw/zinc/40/56/88/1304405688.db2.gz GLXURCMVZFUQOP-LBPRGKRZSA-N 1 2 332.429 2.149 20 30 EEEDLO Cc1nc(-c2ccccn2)sc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000328727754 1304405694 /nfs/dbraw/zinc/40/56/94/1304405694.db2.gz GLXURCMVZFUQOP-LBPRGKRZSA-N 1 2 332.429 2.149 20 30 EEEDLO CC[C@H](C)OCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1C#N ZINC001233728835 1304569159 /nfs/dbraw/zinc/56/91/59/1304569159.db2.gz CTJJNOOGYZHGCC-YJBOKZPZSA-N 1 2 329.444 2.406 20 30 EEEDLO CC[C@H](C)OCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccc1C#N ZINC001233728835 1304569165 /nfs/dbraw/zinc/56/91/65/1304569165.db2.gz CTJJNOOGYZHGCC-YJBOKZPZSA-N 1 2 329.444 2.406 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NCCC(C)(C)C ZINC001233761423 1304581629 /nfs/dbraw/zinc/58/16/29/1304581629.db2.gz JHNMTUMOGKJGQB-QGZVFWFLSA-N 1 2 349.519 2.265 20 30 EEEDLO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NCCC(C)(C)C ZINC001233761423 1304581636 /nfs/dbraw/zinc/58/16/36/1304581636.db2.gz JHNMTUMOGKJGQB-QGZVFWFLSA-N 1 2 349.519 2.265 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)C(=O)C[C@@](C)(O)C1CC1 ZINC001233779683 1304590045 /nfs/dbraw/zinc/59/00/45/1304590045.db2.gz GZPVKIGTKFMDJI-KBXCAEBGSA-N 1 2 347.484 2.204 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1)C(=O)C[C@@](C)(O)C1CC1 ZINC001233779683 1304590047 /nfs/dbraw/zinc/59/00/47/1304590047.db2.gz GZPVKIGTKFMDJI-KBXCAEBGSA-N 1 2 347.484 2.204 20 30 EEEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC(C)(C)CC ZINC001233906405 1304636372 /nfs/dbraw/zinc/63/63/72/1304636372.db2.gz HRFCPGHZMDCDGT-HOTGVXAUSA-N 1 2 335.492 2.016 20 30 EEEDLO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC(C)(C)CC ZINC001233906405 1304636375 /nfs/dbraw/zinc/63/63/75/1304636375.db2.gz HRFCPGHZMDCDGT-HOTGVXAUSA-N 1 2 335.492 2.016 20 30 EEEDLO C=CCCCC(=O)N1CCC(N(C)c2[nH+]cnc3c2cnn3C)CC1 ZINC001115153464 1304746375 /nfs/dbraw/zinc/74/63/75/1304746375.db2.gz HXUJUGFLMYJYAJ-UHFFFAOYSA-N 1 2 342.447 2.147 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1c(C)nnn1CC ZINC001234509432 1304947002 /nfs/dbraw/zinc/94/70/02/1304947002.db2.gz LYCQKGRTVITHTR-KRWDZBQOSA-N 1 2 345.491 2.408 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1c(C)nnn1CC ZINC001234509432 1304947009 /nfs/dbraw/zinc/94/70/09/1304947009.db2.gz LYCQKGRTVITHTR-KRWDZBQOSA-N 1 2 345.491 2.408 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCN(C(C)C)C1=O ZINC001234509774 1304947030 /nfs/dbraw/zinc/94/70/30/1304947030.db2.gz PPQCQNMLAAFIJY-QZTJIDSGSA-N 1 2 347.503 2.297 20 30 EEEDLO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCN(C(C)C)C1=O ZINC001234509774 1304947034 /nfs/dbraw/zinc/94/70/34/1304947034.db2.gz PPQCQNMLAAFIJY-QZTJIDSGSA-N 1 2 347.503 2.297 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2CC(=O)NC(C)(C)CC)CCC1 ZINC001235211088 1305151260 /nfs/dbraw/zinc/15/12/60/1305151260.db2.gz ZTLDHYMTPNPAET-INIZCTEOSA-N 1 2 347.503 2.018 20 30 EEEDLO C#CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC(=O)NC(C)(C)CC)CCC1 ZINC001235211088 1305151264 /nfs/dbraw/zinc/15/12/64/1305151264.db2.gz ZTLDHYMTPNPAET-INIZCTEOSA-N 1 2 347.503 2.018 20 30 EEEDLO N#Cc1cc(C[N@H+]2Cc3nccn3C[C@@H](COCC3CC3)C2)ccn1 ZINC001237463249 1305944852 /nfs/dbraw/zinc/94/48/52/1305944852.db2.gz MOXJPFLFZOAXAX-KRWDZBQOSA-N 1 2 337.427 2.208 20 30 EEEDLO N#Cc1cc(C[N@@H+]2Cc3nccn3C[C@@H](COCC3CC3)C2)ccn1 ZINC001237463249 1305944858 /nfs/dbraw/zinc/94/48/58/1305944858.db2.gz MOXJPFLFZOAXAX-KRWDZBQOSA-N 1 2 337.427 2.208 20 30 EEEDLO C#Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(C)nn2C)c1 ZINC001278103163 1305950209 /nfs/dbraw/zinc/95/02/09/1305950209.db2.gz LUTMAMLUSSOPFC-KDURUIRLSA-N 1 2 348.450 2.199 20 30 EEEDLO C#Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C)nn2C)c1 ZINC001278103163 1305950214 /nfs/dbraw/zinc/95/02/14/1305950214.db2.gz LUTMAMLUSSOPFC-KDURUIRLSA-N 1 2 348.450 2.199 20 30 EEEDLO C=CC[NH+]1CCC(CCOC)(NC(=O)C(F)C(F)(F)F)CC1 ZINC001151138063 1316458131 /nfs/dbraw/zinc/45/81/31/1316458131.db2.gz SADYQPWOPKGVSB-LLVKDONJSA-N 1 2 326.334 2.060 20 30 EEEDLO C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001151138063 1316458135 /nfs/dbraw/zinc/45/81/35/1316458135.db2.gz SADYQPWOPKGVSB-LLVKDONJSA-N 1 2 326.334 2.060 20 30 EEEDLO CCCCCCCCCCNC(=S)N1CC[NH2+]C[C@H]1C(=O)OC ZINC001239422953 1309104635 /nfs/dbraw/zinc/10/46/35/1309104635.db2.gz QKARGIRXELGAGL-HNNXBMFYSA-N 1 2 343.537 2.448 20 30 EEEDLO CNS(=O)(=O)c1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1 ZINC001240199898 1309274143 /nfs/dbraw/zinc/27/41/43/1309274143.db2.gz IXYQVFIASSQYRA-UDWIEESQSA-N 1 2 342.424 2.355 20 30 EEEDLO COc1cc(C#N)ccc1-c1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001241412883 1309478104 /nfs/dbraw/zinc/47/81/04/1309478104.db2.gz YQTJUHPNXKRBNR-UHFFFAOYSA-N 1 2 339.395 2.340 20 30 EEEDLO C[C@H](CN(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)Nc1ncccc1C#N ZINC001120642068 1309660638 /nfs/dbraw/zinc/66/06/38/1309660638.db2.gz CIXYKKXDUKNFKE-TZMCWYRMSA-N 1 2 338.415 2.055 20 30 EEEDLO Cc1nsc(N[C@H](C)CN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1C#N ZINC001120776059 1309742007 /nfs/dbraw/zinc/74/20/07/1309742007.db2.gz VDRBYAALDYHLRV-WDEREUQCSA-N 1 2 346.460 2.184 20 30 EEEDLO Cc1nsc(N[C@H](C)CN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1C#N ZINC001120776059 1309742012 /nfs/dbraw/zinc/74/20/12/1309742012.db2.gz VDRBYAALDYHLRV-WDEREUQCSA-N 1 2 346.460 2.184 20 30 EEEDLO C[C@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)Nc1cccc(F)c1C#N ZINC001120837911 1309780159 /nfs/dbraw/zinc/78/01/59/1309780159.db2.gz DLZMSCYQVDVEFF-GFCCVEGCSA-N 1 2 329.379 2.312 20 30 EEEDLO C[C@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)Nc1cccc(F)c1C#N ZINC001120837911 1309780167 /nfs/dbraw/zinc/78/01/67/1309780167.db2.gz DLZMSCYQVDVEFF-GFCCVEGCSA-N 1 2 329.379 2.312 20 30 EEEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@@H](C)CC#N ZINC001121685133 1310103283 /nfs/dbraw/zinc/10/32/83/1310103283.db2.gz ZWMBVIYVXWMWMY-HNNXBMFYSA-N 1 2 341.463 2.296 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H](CO)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001122613786 1310357167 /nfs/dbraw/zinc/35/71/67/1310357167.db2.gz ZTNMNASSOBKGPZ-CQSZACIVSA-N 1 2 346.475 2.155 20 30 EEEDLO C[C@@H]1[C@@H](Nc2ccc(C#N)nc2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001123029384 1310451419 /nfs/dbraw/zinc/45/14/19/1310451419.db2.gz ZGFPOWSEWQCPJY-PBHICJAKSA-N 1 2 338.415 2.031 20 30 EEEDLO N#Cc1ccc(NC[C@H]2CC[C@@H](NC(=O)CCc3[nH]cc[nH+]3)C2)nc1 ZINC001123805478 1310712601 /nfs/dbraw/zinc/71/26/01/1310712601.db2.gz NFGSIPNXWKGTHH-DZGCQCFKSA-N 1 2 338.415 2.006 20 30 EEEDLO Cc1cc(-c2noc(C[C@H]([NH3+])C(=O)OC(C)(C)C)n2)ccc1C#N ZINC001247972175 1310806097 /nfs/dbraw/zinc/80/60/97/1310806097.db2.gz YOZBSGCMRHWKNM-ZDUSSCGKSA-N 1 2 328.372 2.128 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N(C)C[C@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001124671745 1310930923 /nfs/dbraw/zinc/93/09/23/1310930923.db2.gz LHFKKIBYLFHRRZ-OAHLLOKOSA-N 1 2 346.475 2.496 20 30 EEEDLO C=CCN1CCN(C[N@H+]2CCC[C@H](Oc3ccccc3OC)C2)C1=O ZINC000840073679 1315287110 /nfs/dbraw/zinc/28/71/10/1315287110.db2.gz VXYGFLHELCGNSE-INIZCTEOSA-N 1 2 345.443 2.420 20 30 EEEDLO C=CCN1CCN(C[N@@H+]2CCC[C@H](Oc3ccccc3OC)C2)C1=O ZINC000840073679 1315287112 /nfs/dbraw/zinc/28/71/12/1315287112.db2.gz VXYGFLHELCGNSE-INIZCTEOSA-N 1 2 345.443 2.420 20 30 EEEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@@]4(CCSC4)C3)c1=O)CCC2 ZINC000840146199 1315308427 /nfs/dbraw/zinc/30/84/27/1315308427.db2.gz WLSPYLHPHLEMIM-GOSISDBHSA-N 1 2 329.469 2.385 20 30 EEEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@@]4(CCSC4)C3)c1=O)CCC2 ZINC000840146199 1315308430 /nfs/dbraw/zinc/30/84/30/1315308430.db2.gz WLSPYLHPHLEMIM-GOSISDBHSA-N 1 2 329.469 2.385 20 30 EEEDLO COc1ccc(-c2nc3c(s2)C(=NNC2=[NH+]CCN2)CCC3)cc1 ZINC000841658451 1315591796 /nfs/dbraw/zinc/59/17/96/1315591796.db2.gz BFAPDKIIVHWSPY-UHFFFAOYSA-N 1 2 341.440 2.408 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2cnc(C)cn2)CCCO1 ZINC001150078250 1316147445 /nfs/dbraw/zinc/14/74/45/1316147445.db2.gz IURQBRJFRLRQKJ-QGZVFWFLSA-N 1 2 346.475 2.094 20 30 EEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2cnc(C)cn2)CCCO1 ZINC001150078250 1316147450 /nfs/dbraw/zinc/14/74/50/1316147450.db2.gz IURQBRJFRLRQKJ-QGZVFWFLSA-N 1 2 346.475 2.094 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)CCC2CCOCC2)C1 ZINC001150403732 1316259329 /nfs/dbraw/zinc/25/93/29/1316259329.db2.gz OBQXTGZLVPPEBS-INIZCTEOSA-N 1 2 344.883 2.153 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)CCC2CCOCC2)C1 ZINC001150403732 1316259330 /nfs/dbraw/zinc/25/93/30/1316259330.db2.gz OBQXTGZLVPPEBS-INIZCTEOSA-N 1 2 344.883 2.153 20 30 EEEDLO C=CC[C@H](Cc1ccccc1)C(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001151923369 1316609536 /nfs/dbraw/zinc/60/95/36/1316609536.db2.gz XMYGMHVXEJCYAR-MRXNPFEDSA-N 1 2 342.443 2.273 20 30 EEEDLO C[N@@H+]1CCO[C@@H](CNc2ccc([C@H](C#N)c3ccccc3F)nn2)C1 ZINC001155198221 1317498021 /nfs/dbraw/zinc/49/80/21/1317498021.db2.gz XMJFHDZWMBZHSV-DZGCQCFKSA-N 1 2 341.390 2.014 20 30 EEEDLO C[N@H+]1CCO[C@@H](CNc2ccc([C@H](C#N)c3ccccc3F)nn2)C1 ZINC001155198221 1317498027 /nfs/dbraw/zinc/49/80/27/1317498027.db2.gz XMJFHDZWMBZHSV-DZGCQCFKSA-N 1 2 341.390 2.014 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1nccc(C)n1 ZINC001155757380 1317725398 /nfs/dbraw/zinc/72/53/98/1317725398.db2.gz LIPZSMWHWCHVMF-RYRKJORJSA-N 1 2 346.475 2.093 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nccc(C)n1 ZINC001155757380 1317725405 /nfs/dbraw/zinc/72/54/05/1317725405.db2.gz LIPZSMWHWCHVMF-RYRKJORJSA-N 1 2 346.475 2.093 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[N@H+](CC)Cc2nccs2)cn1 ZINC001156460391 1318021843 /nfs/dbraw/zinc/02/18/43/1318021843.db2.gz HFPYLVNFFPSSDY-CYBMUJFWSA-N 1 2 328.441 2.160 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](CC)Cc2nccs2)cn1 ZINC001156460391 1318021852 /nfs/dbraw/zinc/02/18/52/1318021852.db2.gz HFPYLVNFFPSSDY-CYBMUJFWSA-N 1 2 328.441 2.160 20 30 EEEDLO C=CCOC(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CCC(OC)CC1 ZINC001255453298 1318417480 /nfs/dbraw/zinc/41/74/80/1318417480.db2.gz CCVKAQBFRCNNQE-NRXISQOPSA-N 1 2 341.448 2.363 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)c2ncn3cc(Br)ccc23)CC1 ZINC001157255391 1318525414 /nfs/dbraw/zinc/52/54/14/1318525414.db2.gz YROITBTZQDCPOM-UHFFFAOYSA-N 1 2 349.232 2.041 20 30 EEEDLO CCn1cc(C[N@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)(C)C)nn1 ZINC001157964372 1318950237 /nfs/dbraw/zinc/95/02/37/1318950237.db2.gz AAWCEJZGCCAPBK-QGZVFWFLSA-N 1 2 345.491 2.160 20 30 EEEDLO CCn1cc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)C#CC(C)(C)C)nn1 ZINC001157964372 1318950238 /nfs/dbraw/zinc/95/02/38/1318950238.db2.gz AAWCEJZGCCAPBK-QGZVFWFLSA-N 1 2 345.491 2.160 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1cn(C)nn1 ZINC001158005334 1318968825 /nfs/dbraw/zinc/96/88/25/1318968825.db2.gz PGUOBANDIYKWIL-MRXNPFEDSA-N 1 2 333.480 2.230 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1cn(C)nn1 ZINC001158005334 1318968826 /nfs/dbraw/zinc/96/88/26/1318968826.db2.gz PGUOBANDIYKWIL-MRXNPFEDSA-N 1 2 333.480 2.230 20 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2.152 20 30 EEEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000783532648 782624299 /nfs/dbraw/zinc/62/42/99/782624299.db2.gz SQWHHQQMYYKMHD-CQSZACIVSA-N 1 2 348.472 2.136 20 30 EEEDLO C=CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+]C[C@@H](F)CC)nn2)C1 ZINC001098711536 782670323 /nfs/dbraw/zinc/67/03/23/782670323.db2.gz WXIDQKZEJNFEFR-GOEBONIOSA-N 1 2 337.443 2.246 20 30 EEEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2ccco2)C1 ZINC001031517444 769332189 /nfs/dbraw/zinc/33/21/89/769332189.db2.gz MAXTYSULEHZGQO-UHFFFAOYSA-N 1 2 325.368 2.022 20 30 EEEDLO C=CCCCC(=O)N[C@H](C)C[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001089451000 769350035 /nfs/dbraw/zinc/35/00/35/769350035.db2.gz BVHYDZSVABHGRU-OLZOCXBDSA-N 1 2 334.468 2.298 20 30 EEEDLO C#CCCCCC(=O)NCC[NH2+]Cc1nc(-c2ccccc2)no1 ZINC001125938775 769629894 /nfs/dbraw/zinc/62/98/94/769629894.db2.gz JPYDCJVHGCOONT-UHFFFAOYSA-N 1 2 326.400 2.136 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)c1ccon1 ZINC001031561224 769665797 /nfs/dbraw/zinc/66/57/97/769665797.db2.gz CSAACEKCUUAAJT-UHFFFAOYSA-N 1 2 329.787 2.041 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](CNc1ccc(C#N)cn1)C(C)(C)C ZINC001125965066 769789506 /nfs/dbraw/zinc/78/95/06/769789506.db2.gz ZJTLLZBCRFPQMK-HNNXBMFYSA-N 1 2 340.431 2.170 20 30 EEEDLO C=CCC1(C(=O)NC[C@H]2CN(c3cc[nH+]c(C)n3)CCCO2)CCC1 ZINC001089559641 770348116 /nfs/dbraw/zinc/34/81/16/770348116.db2.gz JUWXEAJZZYWHGN-INIZCTEOSA-N 1 2 344.459 2.243 20 30 EEEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)ns1 ZINC001031638814 770529475 /nfs/dbraw/zinc/52/94/75/770529475.db2.gz MLKMQXUAVPBXSM-UHFFFAOYSA-N 1 2 344.415 2.324 20 30 EEEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cc3occc3[nH]2)C1 ZINC001031706453 773505297 /nfs/dbraw/zinc/50/52/97/773505297.db2.gz PSENSSHBBNOHIW-UHFFFAOYSA-N 1 2 334.379 2.494 20 30 EEEDLO CC[C@@H]1CC[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)O1 ZINC001031709858 773534015 /nfs/dbraw/zinc/53/40/15/773534015.db2.gz ZOBSLCZMTQROBA-RTBURBONSA-N 1 2 344.430 2.183 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001060750306 773573922 /nfs/dbraw/zinc/57/39/22/773573922.db2.gz UNEPSONMELXSNS-SHTZXODSSA-N 1 2 332.448 2.100 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001060750306 773573927 /nfs/dbraw/zinc/57/39/27/773573927.db2.gz UNEPSONMELXSNS-SHTZXODSSA-N 1 2 332.448 2.100 20 30 EEEDLO Cc1[nH]nc(Cl)c1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031720810 773632121 /nfs/dbraw/zinc/63/21/21/773632121.db2.gz HIGAJZZARLLMGQ-UHFFFAOYSA-N 1 2 343.818 2.105 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1nccs1 ZINC001027889752 774059525 /nfs/dbraw/zinc/05/95/25/774059525.db2.gz GFSXGMSBMACCIL-ZNMIVQPWSA-N 1 2 335.473 2.205 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1nccs1 ZINC001027889752 774059530 /nfs/dbraw/zinc/05/95/30/774059530.db2.gz GFSXGMSBMACCIL-ZNMIVQPWSA-N 1 2 335.473 2.205 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ncc(CC)o1 ZINC001027890443 774065933 /nfs/dbraw/zinc/06/59/33/774065933.db2.gz ZWCLIDKARYXCKV-OIISXLGYSA-N 1 2 347.459 2.299 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ncc(CC)o1 ZINC001027890443 774065936 /nfs/dbraw/zinc/06/59/36/774065936.db2.gz ZWCLIDKARYXCKV-OIISXLGYSA-N 1 2 347.459 2.299 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1C(=O)CC ZINC001027903046 774185974 /nfs/dbraw/zinc/18/59/74/774185974.db2.gz CEEHRRVGKQJSOI-HUUCEWRRSA-N 1 2 341.883 2.111 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1C(=O)CC ZINC001027903046 774185976 /nfs/dbraw/zinc/18/59/76/774185976.db2.gz CEEHRRVGKQJSOI-HUUCEWRRSA-N 1 2 341.883 2.111 20 30 EEEDLO C#CCC[NH+]1CCN(C(=O)CCC(=O)c2cc(C)sc2C)CC1 ZINC000068445537 774537771 /nfs/dbraw/zinc/53/77/71/774537771.db2.gz PVGPBRNSIPYITP-UHFFFAOYSA-N 1 2 332.469 2.495 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(OC)no1 ZINC001027936784 774698208 /nfs/dbraw/zinc/69/82/08/774698208.db2.gz MEGPPXKLNVVSKJ-CQSZACIVSA-N 1 2 344.415 2.065 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(OC)no1 ZINC001027936784 774698212 /nfs/dbraw/zinc/69/82/12/774698212.db2.gz MEGPPXKLNVVSKJ-CQSZACIVSA-N 1 2 344.415 2.065 20 30 EEEDLO C=CCOCCCC(=O)N[C@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126604281 783210937 /nfs/dbraw/zinc/21/09/37/783210937.db2.gz RHVLVGJOVDMALB-OAHLLOKOSA-N 1 2 346.475 2.489 20 30 EEEDLO Cc1nc(N2CCC[C@H]([C@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)cc[nH+]1 ZINC001060355190 790350411 /nfs/dbraw/zinc/35/04/11/790350411.db2.gz ROEYLAWYVPGXNS-WFASDCNBSA-N 1 2 338.415 2.020 20 30 EEEDLO Cc1nc(N2CCC[C@@H]([C@@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)cc[nH+]1 ZINC001060355188 790350834 /nfs/dbraw/zinc/35/08/34/790350834.db2.gz ROEYLAWYVPGXNS-IUODEOHRSA-N 1 2 338.415 2.020 20 30 EEEDLO CCO[C@H]1C[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000980751169 775446804 /nfs/dbraw/zinc/44/68/04/775446804.db2.gz RHNMNWLSROOHMV-AEFFLSMTSA-N 1 2 345.418 2.157 20 30 EEEDLO CCO[C@H]1C[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000980751169 775446815 /nfs/dbraw/zinc/44/68/15/775446815.db2.gz RHNMNWLSROOHMV-AEFFLSMTSA-N 1 2 345.418 2.157 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2COC[C@H]2c2ccccc2)C1 ZINC001031785835 775636804 /nfs/dbraw/zinc/63/68/04/775636804.db2.gz KKZXTHQQMFXLCF-IRXDYDNUSA-N 1 2 334.847 2.217 20 30 EEEDLO CO[C@H]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031792217 775730653 /nfs/dbraw/zinc/73/06/53/775730653.db2.gz GPEHLUXOYNRYRF-WMZOPIPTSA-N 1 2 345.418 2.060 20 30 EEEDLO Cc1cc(N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)nc(C2CC2)[nH+]1 ZINC001058855842 776028567 /nfs/dbraw/zinc/02/85/67/776028567.db2.gz NKPQSMKVDDBRCL-AWEZNQCLSA-N 1 2 336.399 2.189 20 30 EEEDLO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)ncn1 ZINC000980985666 776267006 /nfs/dbraw/zinc/26/70/06/776267006.db2.gz DICPHTLZPMCPOT-UHFFFAOYSA-N 1 2 341.440 2.066 20 30 EEEDLO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)ncn1 ZINC000980985666 776267011 /nfs/dbraw/zinc/26/70/11/776267011.db2.gz DICPHTLZPMCPOT-UHFFFAOYSA-N 1 2 341.440 2.066 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC001031825486 776709000 /nfs/dbraw/zinc/70/90/00/776709000.db2.gz MJJAXRGFXHCTGS-HNNXBMFYSA-N 1 2 341.238 2.444 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCc3ccc(F)cc3O2)C1 ZINC001031846941 777302652 /nfs/dbraw/zinc/30/26/52/777302652.db2.gz FNFAXBPAMICHSH-HNNXBMFYSA-N 1 2 338.810 2.320 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3cncs3)CC2)s1 ZINC000981393833 777309828 /nfs/dbraw/zinc/30/98/28/777309828.db2.gz WAIKNRFACXUCTE-UHFFFAOYSA-N 1 2 346.481 2.353 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3cncs3)CC2)s1 ZINC000981393833 777309834 /nfs/dbraw/zinc/30/98/34/777309834.db2.gz WAIKNRFACXUCTE-UHFFFAOYSA-N 1 2 346.481 2.353 20 30 EEEDLO Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)nc1C ZINC001031850964 777364946 /nfs/dbraw/zinc/36/49/46/777364946.db2.gz UFJBBOBFXLKLJJ-UHFFFAOYSA-N 1 2 340.452 2.493 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)N2CCC[N@H+](CC#Cc3ccc(F)cc3)CC2)CO1 ZINC000981488323 777504347 /nfs/dbraw/zinc/50/43/47/777504347.db2.gz WRCRNRISLQEOKL-SJLPKXTDSA-N 1 2 344.430 2.137 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)N2CCC[N@@H+](CC#Cc3ccc(F)cc3)CC2)CO1 ZINC000981488323 777504355 /nfs/dbraw/zinc/50/43/55/777504355.db2.gz WRCRNRISLQEOKL-SJLPKXTDSA-N 1 2 344.430 2.137 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C)CC1 ZINC000939913560 777650613 /nfs/dbraw/zinc/65/06/13/777650613.db2.gz OHFBWRDFJWWNEG-GDBMZVCRSA-N 1 2 344.459 2.052 20 30 EEEDLO Cc1nocc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001028113277 777927824 /nfs/dbraw/zinc/92/78/24/777927824.db2.gz KDHMGIKIRRSNSH-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1nocc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001028113277 777927830 /nfs/dbraw/zinc/92/78/30/777927830.db2.gz KDHMGIKIRRSNSH-HNNXBMFYSA-N 1 2 342.374 2.388 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](Cc1coc(C3CC3)n1)C2 ZINC000981669611 777948299 /nfs/dbraw/zinc/94/82/99/777948299.db2.gz QEFNAIBDVAHUEI-ZDUSSCGKSA-N 1 2 328.416 2.136 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](Cc1coc(C3CC3)n1)C2 ZINC000981669611 777948308 /nfs/dbraw/zinc/94/83/08/777948308.db2.gz QEFNAIBDVAHUEI-ZDUSSCGKSA-N 1 2 328.416 2.136 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+](Cc2cnc(OC)nc2C)CC1 ZINC000981735431 778132358 /nfs/dbraw/zinc/13/23/58/778132358.db2.gz HUFFPYQKWQPAHS-UHFFFAOYSA-N 1 2 346.475 2.430 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](Cc2cnc(OC)nc2C)CC1 ZINC000981735431 778132367 /nfs/dbraw/zinc/13/23/67/778132367.db2.gz HUFFPYQKWQPAHS-UHFFFAOYSA-N 1 2 346.475 2.430 20 30 EEEDLO CCc1cc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c(C)nn1 ZINC001031876732 778339282 /nfs/dbraw/zinc/33/92/82/778339282.db2.gz ZGVAUULOJUZDJA-UHFFFAOYSA-N 1 2 348.450 2.061 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001060767077 778518437 /nfs/dbraw/zinc/51/84/37/778518437.db2.gz PRDNMHDMMLQPDG-QAQDUYKDSA-N 1 2 346.475 2.421 20 30 EEEDLO Cc1n[nH]cc1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001031889133 778688382 /nfs/dbraw/zinc/68/83/82/778688382.db2.gz UERAIWVAIKPGES-UHFFFAOYSA-N 1 2 342.830 2.085 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001091413613 790662867 /nfs/dbraw/zinc/66/28/67/790662867.db2.gz FNXCVRBZCQJFFK-XBXGTLAGSA-N 1 2 341.390 2.360 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001091413613 790662873 /nfs/dbraw/zinc/66/28/73/790662873.db2.gz FNXCVRBZCQJFFK-XBXGTLAGSA-N 1 2 341.390 2.360 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cc2ccccc2NC(C)=O)CC1 ZINC000982266024 779457074 /nfs/dbraw/zinc/45/70/74/779457074.db2.gz PKYZFUYESPTZRR-UHFFFAOYSA-N 1 2 349.862 2.474 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cc2ccccc2NC(C)=O)CC1 ZINC000982266024 779457079 /nfs/dbraw/zinc/45/70/79/779457079.db2.gz PKYZFUYESPTZRR-UHFFFAOYSA-N 1 2 349.862 2.474 20 30 EEEDLO Cc1c(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)ccn1C ZINC001031957026 780666155 /nfs/dbraw/zinc/66/61/55/780666155.db2.gz KQHAUHKJRNSQAB-UHFFFAOYSA-N 1 2 340.402 2.206 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc(-n2ccnc2)c1 ZINC001028319943 780717209 /nfs/dbraw/zinc/71/72/09/780717209.db2.gz PHTXFIFJSBEDGY-HNNXBMFYSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccnc(-n2ccnc2)c1 ZINC001028319943 780717217 /nfs/dbraw/zinc/71/72/17/780717217.db2.gz PHTXFIFJSBEDGY-HNNXBMFYSA-N 1 2 345.834 2.214 20 30 EEEDLO CCN(CCNc1ccc(C#N)c(C)n1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001106965187 781625077 /nfs/dbraw/zinc/62/50/77/781625077.db2.gz VSNAXXTWKSQRFK-CQSZACIVSA-N 1 2 340.431 2.370 20 30 EEEDLO Cc1nc(C[N@H+]2C[C@@H](NC(=O)CSCC#N)CC[C@H]2C)c(C)o1 ZINC001131831091 783327278 /nfs/dbraw/zinc/32/72/78/783327278.db2.gz YDYQWEHGLGIGFT-RISCZKNCSA-N 1 2 336.461 2.017 20 30 EEEDLO Cc1nc(C[N@@H+]2C[C@@H](NC(=O)CSCC#N)CC[C@H]2C)c(C)o1 ZINC001131831091 783327286 /nfs/dbraw/zinc/32/72/86/783327286.db2.gz YDYQWEHGLGIGFT-RISCZKNCSA-N 1 2 336.461 2.017 20 30 EEEDLO Cc1nc(N2CCC([C@@H](C)NC(=O)[C@@H](C)C#N)CC2)c(C)c(C)[nH+]1 ZINC001126621409 783449705 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/nfs/dbraw/zinc/89/67/12/785896712.db2.gz CDWOWZRLQAPIJJ-DNVCBOLYSA-N 1 2 348.491 2.498 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2nc(C3CC3)no2)C(C)(C)C1 ZINC000996141690 786079081 /nfs/dbraw/zinc/07/90/81/786079081.db2.gz YLDPSEXIEZCDTH-CYBMUJFWSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C(C)(C)C(C)(C)C)nn2)C1 ZINC001107192313 786315151 /nfs/dbraw/zinc/31/51/51/786315151.db2.gz GITYLJMDTBKMLS-UHFFFAOYSA-N 1 2 333.480 2.399 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2CC[NH+](Cc3nnc(C)o3)CC2)cc1 ZINC001005804699 786368125 /nfs/dbraw/zinc/36/81/25/786368125.db2.gz DIJQPVPGWAKCIU-UHFFFAOYSA-N 1 2 338.411 2.096 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](C)c3ccc(C)o3)nn2)C1 ZINC001107218958 786474918 /nfs/dbraw/zinc/47/49/18/786474918.db2.gz JTTYLUWYZZHHQC-CQSZACIVSA-N 1 2 343.431 2.032 20 30 EEEDLO N#Cc1c(F)cccc1NC/C=C/CNC(=O)CCCn1cc[nH+]c1 ZINC001107237425 786588522 /nfs/dbraw/zinc/58/85/22/786588522.db2.gz LOYHNIJQQQLLBC-OWOJBTEDSA-N 1 2 341.390 2.459 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000821331468 786687013 /nfs/dbraw/zinc/68/70/13/786687013.db2.gz UKJWAPOIMFRWSG-UONOGXRCSA-N 1 2 349.406 2.068 20 30 EEEDLO C#CCOc1ccc(F)cc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000821331468 786687016 /nfs/dbraw/zinc/68/70/16/786687016.db2.gz UKJWAPOIMFRWSG-UONOGXRCSA-N 1 2 349.406 2.068 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)c(C)o3)C[C@@H]2O)CC1 ZINC001090548599 786833971 /nfs/dbraw/zinc/83/39/71/786833971.db2.gz ZYITVYJKKUUFGC-SJORKVTESA-N 1 2 347.459 2.089 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C)c(C)o3)C[C@@H]2O)CC1 ZINC001090548599 786833979 /nfs/dbraw/zinc/83/39/79/786833979.db2.gz ZYITVYJKKUUFGC-SJORKVTESA-N 1 2 347.459 2.089 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)c(C)s3)C[C@@H]2O)C1 ZINC001090554410 786893567 /nfs/dbraw/zinc/89/35/67/786893567.db2.gz XZIZFLBZYSIPOJ-CABCVRRESA-N 1 2 349.500 2.168 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C)c(C)s3)C[C@@H]2O)C1 ZINC001090554410 786893571 /nfs/dbraw/zinc/89/35/71/786893571.db2.gz XZIZFLBZYSIPOJ-CABCVRRESA-N 1 2 349.500 2.168 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)cn2)[C@@H](O)C1 ZINC001090572605 787015247 /nfs/dbraw/zinc/01/52/47/787015247.db2.gz HAIPZKQZSXJBQZ-ZBFHGGJFSA-N 1 2 337.851 2.123 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)cn2)[C@@H](O)C1 ZINC001090572605 787015257 /nfs/dbraw/zinc/01/52/57/787015257.db2.gz HAIPZKQZSXJBQZ-ZBFHGGJFSA-N 1 2 337.851 2.123 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H](C)OCC)CC2(CCOCC2)C1 ZINC001099565906 787427771 /nfs/dbraw/zinc/42/77/71/787427771.db2.gz JYPGXTFNTVQLQE-GJZGRUSLSA-N 1 2 344.883 2.151 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)OCC)CC2(CCOCC2)C1 ZINC001099565906 787427778 /nfs/dbraw/zinc/42/77/78/787427778.db2.gz JYPGXTFNTVQLQE-GJZGRUSLSA-N 1 2 344.883 2.151 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2scnc2C(C)C)[C@@H](O)C1 ZINC001090633106 787435915 /nfs/dbraw/zinc/43/59/15/787435915.db2.gz 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ZINC001090794717 788317920 /nfs/dbraw/zinc/31/79/20/788317920.db2.gz SGEZQYUMJYRJNY-GDBMZVCRSA-N 1 2 333.819 2.085 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)c(F)c(C)c2)[C@H](O)C1 ZINC001090819614 788428520 /nfs/dbraw/zinc/42/85/20/788428520.db2.gz DUFLLWNIYUWVPA-HUUCEWRRSA-N 1 2 340.826 2.360 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)c(F)c(C)c2)[C@H](O)C1 ZINC001090819614 788428526 /nfs/dbraw/zinc/42/85/26/788428526.db2.gz DUFLLWNIYUWVPA-HUUCEWRRSA-N 1 2 340.826 2.360 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)(C)C ZINC001109679034 805877759 /nfs/dbraw/zinc/87/77/59/805877759.db2.gz PQDDWBVKOLZMNH-NARAOEGZSA-N 1 2 349.519 2.473 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)(C)C ZINC001109679034 805877768 /nfs/dbraw/zinc/87/77/68/805877768.db2.gz PQDDWBVKOLZMNH-NARAOEGZSA-N 1 2 349.519 2.473 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@@H](O)C1 ZINC001090835729 788497907 /nfs/dbraw/zinc/49/79/07/788497907.db2.gz IHRRUMFCTFZMPQ-IRXDYDNUSA-N 1 2 334.847 2.482 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@@H](O)C1 ZINC001090835729 788497913 /nfs/dbraw/zinc/49/79/13/788497913.db2.gz IHRRUMFCTFZMPQ-IRXDYDNUSA-N 1 2 334.847 2.482 20 30 EEEDLO C=CCCC(=O)NC[C@@]1(C)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107802472 788503587 /nfs/dbraw/zinc/50/35/87/788503587.db2.gz SAMKDUYXSYAAFC-IBGZPJMESA-N 1 2 327.428 2.232 20 30 EEEDLO C=CCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC001107802472 788503595 /nfs/dbraw/zinc/50/35/95/788503595.db2.gz SAMKDUYXSYAAFC-IBGZPJMESA-N 1 2 327.428 2.232 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H](CNc2[nH+]cnc3c2cnn3C)[C@H](C)C1 ZINC001090264007 788525772 /nfs/dbraw/zinc/52/57/72/788525772.db2.gz WUZAAPLNYLOFLI-KGLIPLIRSA-N 1 2 342.447 2.226 20 30 EEEDLO C[C@@H](C#N)C(=O)NC[C@]1(C)C[N@H+](CCCCC(F)(F)F)CCO1 ZINC001107822007 788581043 /nfs/dbraw/zinc/58/10/43/788581043.db2.gz ZIZZVSQZRWMIAA-GXTWGEPZSA-N 1 2 335.370 2.086 20 30 EEEDLO C[C@@H](C#N)C(=O)NC[C@]1(C)C[N@@H+](CCCCC(F)(F)F)CCO1 ZINC001107822007 788581050 /nfs/dbraw/zinc/58/10/50/788581050.db2.gz ZIZZVSQZRWMIAA-GXTWGEPZSA-N 1 2 335.370 2.086 20 30 EEEDLO CC1CC(C(=O)NC[C@@]2(C)C[N@H+](Cc3cccc(C#N)c3)CCO2)C1 ZINC001107859301 788849317 /nfs/dbraw/zinc/84/93/17/788849317.db2.gz SLBYGNOHTDKOMA-UPQHMETBSA-N 1 2 341.455 2.311 20 30 EEEDLO CC1CC(C(=O)NC[C@@]2(C)C[N@@H+](Cc3cccc(C#N)c3)CCO2)C1 ZINC001107859301 788849328 /nfs/dbraw/zinc/84/93/28/788849328.db2.gz SLBYGNOHTDKOMA-UPQHMETBSA-N 1 2 341.455 2.311 20 30 EEEDLO CC1CC(C(=O)NC[C@@]2(C)C[N@H+](Cc3ccc(C#N)cc3)CCO2)C1 ZINC001107859331 788849614 /nfs/dbraw/zinc/84/96/14/788849614.db2.gz UEHCCASUHVOBDC-UPQHMETBSA-N 1 2 341.455 2.311 20 30 EEEDLO CC1CC(C(=O)NC[C@@]2(C)C[N@@H+](Cc3ccc(C#N)cc3)CCO2)C1 ZINC001107859331 788849621 /nfs/dbraw/zinc/84/96/21/788849621.db2.gz UEHCCASUHVOBDC-UPQHMETBSA-N 1 2 341.455 2.311 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1OC ZINC001090919913 788984259 /nfs/dbraw/zinc/98/42/59/788984259.db2.gz SVXRCVBYDILLIU-HZPDHXFCSA-N 1 2 332.448 2.078 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CCC(OC2C[NH+](CCOCC)C2)CC1 ZINC001105721312 789244182 /nfs/dbraw/zinc/24/41/82/789244182.db2.gz XTVQUZOHPCUZHY-INIZCTEOSA-N 1 2 338.492 2.317 20 30 EEEDLO Cc1cc(N[C@H](C)CCNC(=O)CSCC#N)nc(C2CC2)[nH+]1 ZINC001098838759 789244554 /nfs/dbraw/zinc/24/45/54/789244554.db2.gz UVKPJUKOFPVJDH-LLVKDONJSA-N 1 2 333.461 2.226 20 30 EEEDLO Cc1nc(NC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001060826310 789553240 /nfs/dbraw/zinc/55/32/40/789553240.db2.gz WAPCORYYMXTDIB-JSGCOSHPSA-N 1 2 327.432 2.084 20 30 EEEDLO C#CCCCC(=O)NC[C@H](O)CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001105795692 789664358 /nfs/dbraw/zinc/66/43/58/789664358.db2.gz FTRPTTNMXKTMQQ-OAHLLOKOSA-N 1 2 346.475 2.416 20 30 EEEDLO C[C@H](CC(=O)OCC(=O)N(C)C1(C#N)CCCCC1)n1cc[nH+]c1 ZINC000845277770 789704944 /nfs/dbraw/zinc/70/49/44/789704944.db2.gz BOPTYZFQMPJNSK-CQSZACIVSA-N 1 2 332.404 2.062 20 30 EEEDLO Cc1nc(NC[C@@H](NC(=O)[C@H](C)C#N)C2CC2)c2c([nH+]1)CCCC2 ZINC001109796114 806003347 /nfs/dbraw/zinc/00/33/47/806003347.db2.gz OUXFOMXUPMRHPV-BDJLRTHQSA-N 1 2 327.432 2.130 20 30 EEEDLO O=C(/C=C/C(=O)c1ccccc1)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001144715015 790056467 /nfs/dbraw/zinc/05/64/67/790056467.db2.gz XLJJTLCJCXJWDV-BLGFXRMMSA-N 1 2 335.407 2.211 20 30 EEEDLO O=C(/C=C/C(=O)c1ccccc1)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001144715015 790056472 /nfs/dbraw/zinc/05/64/72/790056472.db2.gz XLJJTLCJCXJWDV-BLGFXRMMSA-N 1 2 335.407 2.211 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060330509 790137336 /nfs/dbraw/zinc/13/73/36/790137336.db2.gz DYLZKTIITAXFQZ-BEFAXECRSA-N 1 2 346.475 2.218 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc2c(c1)OCCO2 ZINC001032562057 791367185 /nfs/dbraw/zinc/36/71/85/791367185.db2.gz JJSWASMIFWZZRM-HOTGVXAUSA-N 1 2 342.439 2.455 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc2c(c1)OCCO2 ZINC001032562057 791367190 /nfs/dbraw/zinc/36/71/90/791367190.db2.gz JJSWASMIFWZZRM-HOTGVXAUSA-N 1 2 342.439 2.455 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccnc(N(C)C)c1 ZINC001032563054 791415342 /nfs/dbraw/zinc/41/53/42/791415342.db2.gz LWLSYTQGRXTDMO-HOTGVXAUSA-N 1 2 328.460 2.145 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccnc(N(C)C)c1 ZINC001032563054 791415348 /nfs/dbraw/zinc/41/53/48/791415348.db2.gz LWLSYTQGRXTDMO-HOTGVXAUSA-N 1 2 328.460 2.145 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2nccs2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088936680 791622286 /nfs/dbraw/zinc/62/22/86/791622286.db2.gz XCLROAPDQNVHFY-MFKMUULPSA-N 1 2 332.454 2.469 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2nccs2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088936680 791622288 /nfs/dbraw/zinc/62/22/88/791622288.db2.gz XCLROAPDQNVHFY-MFKMUULPSA-N 1 2 332.454 2.469 20 30 EEEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)CC[C@H](C)OC)C2)C1 ZINC001147391628 791810331 /nfs/dbraw/zinc/81/03/31/791810331.db2.gz HVXKNLZHZHDIDM-ZDUSSCGKSA-N 1 2 345.281 2.244 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)CC[C@H](C)OC)C2)C1 ZINC001147391628 791810334 /nfs/dbraw/zinc/81/03/34/791810334.db2.gz HVXKNLZHZHDIDM-ZDUSSCGKSA-N 1 2 345.281 2.244 20 30 EEEDLO CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)c2cccc3nn[nH]c32)CC1 ZINC000998010886 791822129 /nfs/dbraw/zinc/82/21/29/791822129.db2.gz HFMYXMWNSYNGGZ-HNNXBMFYSA-N 1 2 339.443 2.298 20 30 EEEDLO CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cccc3nn[nH]c32)CC1 ZINC000998010886 791822136 /nfs/dbraw/zinc/82/21/36/791822136.db2.gz HFMYXMWNSYNGGZ-HNNXBMFYSA-N 1 2 339.443 2.298 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C(C)(C)C)[C@H]2C)c1 ZINC001088997368 791866111 /nfs/dbraw/zinc/86/61/11/791866111.db2.gz NRTROLLAMBPVMD-PBHICJAKSA-N 1 2 341.455 2.232 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C(C)(C)C)[C@H]2C)c1 ZINC001088997368 791866117 /nfs/dbraw/zinc/86/61/17/791866117.db2.gz NRTROLLAMBPVMD-PBHICJAKSA-N 1 2 341.455 2.232 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nc(C)no1)C2 ZINC001147631351 791890711 /nfs/dbraw/zinc/89/07/11/791890711.db2.gz USBHHGLTUCKNJY-UHFFFAOYSA-N 1 2 330.432 2.181 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC2(C1)CC[N@H+](Cc1nc(C)no1)C2 ZINC001147631351 791890717 /nfs/dbraw/zinc/89/07/17/791890717.db2.gz USBHHGLTUCKNJY-UHFFFAOYSA-N 1 2 330.432 2.181 20 30 EEEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2cnn(CC)n2)C3)CCC1 ZINC001148226666 792263583 /nfs/dbraw/zinc/26/35/83/792263583.db2.gz NMAUMJUCKGBVGB-UHFFFAOYSA-N 1 2 343.475 2.079 20 30 EEEDLO C=CCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2cnn(CC)n2)C3)CCC1 ZINC001148226666 792263589 /nfs/dbraw/zinc/26/35/89/792263589.db2.gz NMAUMJUCKGBVGB-UHFFFAOYSA-N 1 2 343.475 2.079 20 30 EEEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)N(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001089122493 792495311 /nfs/dbraw/zinc/49/53/11/792495311.db2.gz KXTISGPJDQROHB-GDBMZVCRSA-N 1 2 344.459 2.339 20 30 EEEDLO Cc1nc(N2C[C@H](NC(=O)C#CC3CC3)CC[C@@H]2C)c(C)c(C)[nH+]1 ZINC001089136323 792582938 /nfs/dbraw/zinc/58/29/38/792582938.db2.gz CACJVOTXCFCIHL-YVEFUNNKSA-N 1 2 326.444 2.289 20 30 EEEDLO N#Cc1ccc(NC[C@@H]2CCCC[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001064188590 792646193 /nfs/dbraw/zinc/64/61/93/792646193.db2.gz NDPHQEUOFNQNMG-GUYCJALGSA-N 1 2 338.415 2.006 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@H+](Cc2ncccn2)CC3)cc1 ZINC000992098322 792694254 /nfs/dbraw/zinc/69/42/54/792694254.db2.gz HCMPBXLWNHEQSL-RXVVDRJESA-N 1 2 346.434 2.385 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](Cc2ncccn2)CC3)cc1 ZINC000992098322 792694259 /nfs/dbraw/zinc/69/42/59/792694259.db2.gz HCMPBXLWNHEQSL-RXVVDRJESA-N 1 2 346.434 2.385 20 30 EEEDLO C=CCCCC(=O)NCC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001064276737 792794041 /nfs/dbraw/zinc/79/40/41/792794041.db2.gz IPAPPQLMGOYZEA-OAHLLOKOSA-N 1 2 332.448 2.346 20 30 EEEDLO C=C(C)CCC(=O)N[C@H](CNc1ncnc2c1C[N@H+](C)CC2)C1CC1 ZINC001109915658 806189671 /nfs/dbraw/zinc/18/96/71/806189671.db2.gz KMFRTFYEKJLVCG-QGZVFWFLSA-N 1 2 343.475 2.128 20 30 EEEDLO C=C(C)CCC(=O)N[C@H](CNc1ncnc2c1C[N@@H+](C)CC2)C1CC1 ZINC001109915658 806189674 /nfs/dbraw/zinc/18/96/74/806189674.db2.gz KMFRTFYEKJLVCG-QGZVFWFLSA-N 1 2 343.475 2.128 20 30 EEEDLO C=CC[NH+]1CCN(C(=O)c2ccc(OC)cc2Br)CC1 ZINC001148967503 792831632 /nfs/dbraw/zinc/83/16/32/792831632.db2.gz QQVVGDWDOJURCO-UHFFFAOYSA-N 1 2 339.233 2.402 20 30 EEEDLO C[C@@H](CC(=O)N1CC2(C[C@@H]1C)CCN(CC#N)CC2)n1cc[nH+]c1 ZINC001086945558 793042624 /nfs/dbraw/zinc/04/26/24/793042624.db2.gz DSSLPGJUUYKZKZ-HOTGVXAUSA-N 1 2 329.448 2.061 20 30 EEEDLO C=C(C)CCC(=O)N[C@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@@H]1CC ZINC001091806044 793278040 /nfs/dbraw/zinc/27/80/40/793278040.db2.gz AEKIONBKGXJXFI-LSDHHAIUSA-N 1 2 342.447 2.193 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2sc(C)cc2C)[C@H](O)C1 ZINC001090298724 793605541 /nfs/dbraw/zinc/60/55/41/793605541.db2.gz RSGWGVWDGLUTTQ-CHWSQXEVSA-N 1 2 328.865 2.282 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2sc(C)cc2C)[C@H](O)C1 ZINC001090298724 793605545 /nfs/dbraw/zinc/60/55/45/793605545.db2.gz RSGWGVWDGLUTTQ-CHWSQXEVSA-N 1 2 328.865 2.282 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccnc1C1CC1)c1nccn12 ZINC001092380021 793874672 /nfs/dbraw/zinc/87/46/72/793874672.db2.gz OEKRJJPPRBZPJW-INIZCTEOSA-N 1 2 349.438 2.227 20 30 EEEDLO CCc1oncc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032659236 793969766 /nfs/dbraw/zinc/96/97/66/793969766.db2.gz PTMVLGMDKHDBQM-HOTGVXAUSA-N 1 2 336.395 2.208 20 30 EEEDLO CCc1oncc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032659236 793969773 /nfs/dbraw/zinc/96/97/73/793969773.db2.gz PTMVLGMDKHDBQM-HOTGVXAUSA-N 1 2 336.395 2.208 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CCCO3)CCC[C@@H]12 ZINC000992506916 794436465 /nfs/dbraw/zinc/43/64/65/794436465.db2.gz KCKHTSZNMNDTOC-NFAWXSAZSA-N 1 2 343.265 2.187 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3CCCO3)CCC[C@@H]12 ZINC000992506916 794436469 /nfs/dbraw/zinc/43/64/69/794436469.db2.gz KCKHTSZNMNDTOC-NFAWXSAZSA-N 1 2 343.265 2.187 20 30 EEEDLO C=CCOCCCC(=O)N1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC001093149646 794728970 /nfs/dbraw/zinc/72/89/70/794728970.db2.gz FUKBABWPFKZJIH-UHFFFAOYSA-N 1 2 344.459 2.294 20 30 EEEDLO C#CCCCCC(=O)N1CC(N(CC)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001079791897 795200256 /nfs/dbraw/zinc/20/02/56/795200256.db2.gz TVXVKMLZXCUBKA-INIZCTEOSA-N 1 2 344.459 2.087 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)nc1 ZINC001032737821 795330141 /nfs/dbraw/zinc/33/01/41/795330141.db2.gz INQWGMNYJZBWEQ-OALUTQOASA-N 1 2 342.402 2.033 20 30 EEEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)nc1 ZINC001032737821 795330154 /nfs/dbraw/zinc/33/01/54/795330154.db2.gz INQWGMNYJZBWEQ-OALUTQOASA-N 1 2 342.402 2.033 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C[C@H]3CC(C)(C)CO3)CC2)C1 ZINC001093552157 795372136 /nfs/dbraw/zinc/37/21/36/795372136.db2.gz FPBSQASEGAZAPK-INIZCTEOSA-N 1 2 336.476 2.069 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3nc(CC)oc3C)CC2)C1 ZINC001093581379 795392490 /nfs/dbraw/zinc/39/24/90/795392490.db2.gz IOBCRWCEBAQTEZ-UHFFFAOYSA-N 1 2 347.459 2.427 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@H](C)n3cccn3)CC2)C1 ZINC001093588809 795402043 /nfs/dbraw/zinc/40/20/43/795402043.db2.gz BKAOPZUAJCOCBL-INIZCTEOSA-N 1 2 346.475 2.102 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3sccc3OC)CC2)C1 ZINC001093593151 795406657 /nfs/dbraw/zinc/40/66/57/795406657.db2.gz URQSDHDKCQCCKA-UHFFFAOYSA-N 1 2 336.457 2.248 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C(C)(C)C(F)(F)F)CC2)C1 ZINC001093594134 795407359 /nfs/dbraw/zinc/40/73/59/795407359.db2.gz VZRQNTCSLMEVAN-UHFFFAOYSA-N 1 2 334.382 2.453 20 30 EEEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](COC)OC ZINC001099219603 795425822 /nfs/dbraw/zinc/42/58/22/795425822.db2.gz AIUYSWOZYMWFFP-ZIAGYGMSSA-N 1 2 332.872 2.007 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](COC)OC ZINC001099219603 795425826 /nfs/dbraw/zinc/42/58/26/795425826.db2.gz AIUYSWOZYMWFFP-ZIAGYGMSSA-N 1 2 332.872 2.007 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)C[C@H]3CCCO3)CC2)C1 ZINC001093600101 795441643 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EEEDLO C=C[C@H](CC)CC(=O)N(CC)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001080309802 795813775 /nfs/dbraw/zinc/81/37/75/795813775.db2.gz GIQDLFRSLUZWEK-CQSZACIVSA-N 1 2 346.475 2.349 20 30 EEEDLO C[C@@H](CC(=O)NCCNc1nc(Cl)c(C#N)s1)n1cc[nH+]c1 ZINC001094168344 795980812 /nfs/dbraw/zinc/98/08/12/795980812.db2.gz YWYBGJNRSDILEL-VIFPVBQESA-N 1 2 338.824 2.044 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001094194839 796012052 /nfs/dbraw/zinc/01/20/52/796012052.db2.gz LBHXKQWUAIUHDY-HOCLYGCPSA-N 1 2 332.448 2.418 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@@H](C)CCNc2cnc(C#N)cn2)c(C)[nH+]1 ZINC001106658391 796064770 /nfs/dbraw/zinc/06/47/70/796064770.db2.gz IFGUFBCBZDEQAN-LBPRGKRZSA-N 1 2 338.415 2.289 20 30 EEEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3cc(F)ccc3C)nn2)C1 ZINC001094308485 796075649 /nfs/dbraw/zinc/07/56/49/796075649.db2.gz TXDDTFVLZPTHOB-UHFFFAOYSA-N 1 2 343.406 2.088 20 30 EEEDLO C=C1CCC(C(=O)NCC[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001078215653 796090917 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C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3sccc3C(C)C)CC2=O)C1 ZINC001094818601 796598693 /nfs/dbraw/zinc/59/86/93/796598693.db2.gz DREIIIAWPIVKPL-ZDUSSCGKSA-N 1 2 347.484 2.072 20 30 EEEDLO C=CCCC(=O)NCc1ccc([C@H](C)NC(=O)Cn2cc[nH+]c2)cc1 ZINC001060581860 796647849 /nfs/dbraw/zinc/64/78/49/796647849.db2.gz VRSRFCFVDVVHAP-HNNXBMFYSA-N 1 2 340.427 2.343 20 30 EEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[C@H]1C=CCC1 ZINC001081331400 796714676 /nfs/dbraw/zinc/71/46/76/796714676.db2.gz FNQGKYQVXMZNMZ-IAOVAPTHSA-N 1 2 345.468 2.291 20 30 EEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)C[C@H]1C=CCC1 ZINC001081331400 796714678 /nfs/dbraw/zinc/71/46/78/796714678.db2.gz FNQGKYQVXMZNMZ-IAOVAPTHSA-N 1 2 345.468 2.291 20 30 EEEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC1CCC1 ZINC001081485461 796772748 /nfs/dbraw/zinc/77/27/48/796772748.db2.gz SVIIUZDRSBEXSU-RTBURBONSA-N 1 2 326.440 2.044 20 30 EEEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC1CCC1 ZINC001081485461 796772753 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EEEDLO C[C@H]1[C@H](NC(=O)c2n[nH]cc2F)CCC[N@H+]1Cc1ccccc1C#N ZINC000993740511 796965695 /nfs/dbraw/zinc/96/56/95/796965695.db2.gz IWVSLICVDWADTP-BLLLJJGKSA-N 1 2 341.390 2.203 20 30 EEEDLO C#CCCCC(=O)NCCCCCCNc1[nH+]cnc2c1cnn2C ZINC001094947625 797086602 /nfs/dbraw/zinc/08/66/02/797086602.db2.gz GFAWOKMBPABKQI-UHFFFAOYSA-N 1 2 342.447 2.255 20 30 EEEDLO N#Cc1ccc(NCCCCCCNC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC001094956674 797110836 /nfs/dbraw/zinc/11/08/36/797110836.db2.gz WXPOABSSOGKJIA-UHFFFAOYSA-N 1 2 340.431 2.398 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnn3cc(C)cnc23)[C@@H]1C ZINC000993907505 797149890 /nfs/dbraw/zinc/14/98/90/797149890.db2.gz STMFLXUIODKHTD-DZGCQCFKSA-N 1 2 347.850 2.373 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn3cc(C)cnc23)[C@@H]1C ZINC000993907505 797149893 /nfs/dbraw/zinc/14/98/93/797149893.db2.gz STMFLXUIODKHTD-DZGCQCFKSA-N 1 2 347.850 2.373 20 30 EEEDLO Cn1ncc2c1C[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)CC2 ZINC001172990519 797183500 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2.189 20 30 EEEDLO Cc1nc(N(C)[C@@H]2CCN(C(=O)C#CC(C)(C)C)C2)c(C)c(C)[nH+]1 ZINC001095112834 797368693 /nfs/dbraw/zinc/36/86/93/797368693.db2.gz LKJIQPKBOWVSSN-MRXNPFEDSA-N 1 2 328.460 2.488 20 30 EEEDLO Cc1cc(N(C)[C@H]2CCN(C(=O)CSCC#N)C2)nc(C(C)C)[nH+]1 ZINC001095107010 797380242 /nfs/dbraw/zinc/38/02/42/797380242.db2.gz OORQANSHQRTUNX-AWEZNQCLSA-N 1 2 347.488 2.202 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC#Cc2ccccc2)[nH]n1 ZINC001095213551 797525571 /nfs/dbraw/zinc/52/55/71/797525571.db2.gz UXMICFIQXDFFRJ-AOIWGVFYSA-N 1 2 334.423 2.105 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)[nH]n1 ZINC001095213551 797525575 /nfs/dbraw/zinc/52/55/75/797525575.db2.gz UXMICFIQXDFFRJ-AOIWGVFYSA-N 1 2 334.423 2.105 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2c(OC)cc[nH]c2=O)[C@@H]1C ZINC000994249514 797553609 /nfs/dbraw/zinc/55/36/09/797553609.db2.gz GTFONFXHMHELGA-RYUDHWBXSA-N 1 2 339.823 2.131 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2c(OC)cc[nH]c2=O)[C@@H]1C ZINC000994249514 797553614 /nfs/dbraw/zinc/55/36/14/797553614.db2.gz GTFONFXHMHELGA-RYUDHWBXSA-N 1 2 339.823 2.131 20 30 EEEDLO C#CCC1(C(=O)N2CCC(Nc3cc[nH+]c(C)n3)CC2)CCOCC1 ZINC001095240181 797574562 /nfs/dbraw/zinc/57/45/62/797574562.db2.gz DKTYVIDLMRXMJT-UHFFFAOYSA-N 1 2 342.443 2.008 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C(C)C)n2)[C@@H](O)C1 ZINC001090397867 797926054 /nfs/dbraw/zinc/92/60/54/797926054.db2.gz UTYAHIGDWVSGFS-ZBFHGGJFSA-N 1 2 337.851 2.123 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C(C)C)n2)[C@@H](O)C1 ZINC001090397867 797926058 /nfs/dbraw/zinc/92/60/58/797926058.db2.gz UTYAHIGDWVSGFS-ZBFHGGJFSA-N 1 2 337.851 2.123 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(C)(F)F)[C@@H]3C2)cc1C#N ZINC001084149679 797999668 /nfs/dbraw/zinc/99/96/68/797999668.db2.gz VKQATTQTDNQLGG-UKRRQHHQSA-N 1 2 349.381 2.255 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C(C)(F)F)[C@@H]3C2)cc1C#N ZINC001084149679 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20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)COc2cccc(Cl)c2)C1 ZINC001108386002 803432630 /nfs/dbraw/zinc/43/26/30/803432630.db2.gz VRQVMNCYSRFRAU-KRWDZBQOSA-N 1 2 338.835 2.112 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cnc(C(C)(C)C)s2)C1 ZINC001108422364 803536785 /nfs/dbraw/zinc/53/67/85/803536785.db2.gz PSIBNRVWYLGWBP-QGZVFWFLSA-N 1 2 337.489 2.447 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cnc(C(C)(C)C)s2)C1 ZINC001108422364 803536790 /nfs/dbraw/zinc/53/67/90/803536790.db2.gz PSIBNRVWYLGWBP-QGZVFWFLSA-N 1 2 337.489 2.447 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001108434805 803567033 /nfs/dbraw/zinc/56/70/33/803567033.db2.gz XKBGTBIMDSVVKM-BEFAXECRSA-N 1 2 334.435 2.397 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001108434805 803567036 /nfs/dbraw/zinc/56/70/36/803567036.db2.gz XKBGTBIMDSVVKM-BEFAXECRSA-N 1 2 334.435 2.397 20 30 EEEDLO CCc1nc(C#N)cc(NC[C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)n1 ZINC001108777909 804498111 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346.471 2.458 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CCC[C@H]1CN(C)c1nc(C)[nH+]c(C)c1C ZINC001112796572 807266696 /nfs/dbraw/zinc/26/66/96/807266696.db2.gz XXDIDVKPRIQZJO-WBVHZDCISA-N 1 2 346.475 2.420 20 30 EEEDLO CC(C)(C)C#CC(=O)N1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC001112832056 807356416 /nfs/dbraw/zinc/35/64/16/807356416.db2.gz DDRGOTXETISKCX-UHFFFAOYSA-N 1 2 326.440 2.411 20 30 EEEDLO C=C[C@](C)(CC)C(=O)NC1CC(CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001112870176 807508712 /nfs/dbraw/zinc/50/87/12/807508712.db2.gz PDEAQUDVDMLTAR-WTNGLUPJSA-N 1 2 346.479 2.155 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H](C)[C@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001113185121 808402884 /nfs/dbraw/zinc/40/28/84/808402884.db2.gz DRSGFDBSXLACFK-KGLIPLIRSA-N 1 2 345.491 2.372 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@H](C)[C@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001113185121 808402893 /nfs/dbraw/zinc/40/28/93/808402893.db2.gz DRSGFDBSXLACFK-KGLIPLIRSA-N 1 2 345.491 2.372 20 30 EEEDLO COCCN(C)c1ccc(C=[NH+]NC(=S)NCCC(C)C)cn1 ZINC000790151071 808499065 /nfs/dbraw/zinc/49/90/65/808499065.db2.gz DAJQSQHVMUKIEG-UHFFFAOYSA-N 1 2 337.493 2.008 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CCOC[C@@H]2CCCCO2)CC1 ZINC001113303030 808670864 /nfs/dbraw/zinc/67/08/64/808670864.db2.gz INXDVMREAGELNT-PKOBYXMFSA-N 1 2 338.492 2.319 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(F)c3ncccc3c2)CC1 ZINC001113435502 808990775 /nfs/dbraw/zinc/99/07/75/808990775.db2.gz KSNLADMKFKSTJE-UHFFFAOYSA-N 1 2 343.402 2.334 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc3ncsc3c2)CC1 ZINC001113603522 809335916 /nfs/dbraw/zinc/33/59/16/809335916.db2.gz LWZWMLJPVNSNTC-UHFFFAOYSA-N 1 2 331.441 2.257 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)[C@@]2(C)CCc3ccccc32)CC1 ZINC001113700385 809602426 /nfs/dbraw/zinc/60/24/26/809602426.db2.gz YOLMHAAQUDITFK-FQEVSTJZSA-N 1 2 328.456 2.237 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3coc(-c4cccs4)n3)C[C@H]21 ZINC001114069184 810300175 /nfs/dbraw/zinc/30/01/75/810300175.db2.gz FQTNPPJRBHJPRM-MUYACECFSA-N 1 2 342.424 2.109 20 30 EEEDLO C[C@@H](C#N)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3coc(-c4cccs4)n3)C[C@H]21 ZINC001114069184 810300184 /nfs/dbraw/zinc/30/01/84/810300184.db2.gz FQTNPPJRBHJPRM-MUYACECFSA-N 1 2 342.424 2.109 20 30 EEEDLO COCC1(C)CC[NH+](Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 ZINC000793510401 810375801 /nfs/dbraw/zinc/37/58/01/810375801.db2.gz BNFSRNYRSDODAB-UHFFFAOYSA-N 1 2 329.444 2.305 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001114159203 810475977 /nfs/dbraw/zinc/47/59/77/810475977.db2.gz BGSADVVZMMHWDM-QWHZDKJVSA-N 1 2 327.428 2.292 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C4CC4)o3)C[C@H]21 ZINC001114159203 810475982 /nfs/dbraw/zinc/47/59/82/810475982.db2.gz BGSADVVZMMHWDM-QWHZDKJVSA-N 1 2 327.428 2.292 20 30 EEEDLO C=CCCC(=O)N[C@H](CCCC)CNc1[nH+]cnc2c1cnn2C ZINC001114216176 810605107 /nfs/dbraw/zinc/60/51/07/810605107.db2.gz OLKMGWXPEIKXKK-CYBMUJFWSA-N 1 2 330.436 2.416 20 30 EEEDLO C=CCn1cccc1C(=O)NCC[NH2+][C@@H](C)c1nc(C(C)C)no1 ZINC001129518115 810887296 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C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCc2cn(C)nc2C)C1 ZINC001438268778 1090749852 /nfs/dbraw/zinc/74/98/52/1090749852.db2.gz LDZJYGXANFQBEY-MRXNPFEDSA-N 1 2 338.883 2.336 20 30 EEEDLO Cc1nnsc1C(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001438849962 1091488646 /nfs/dbraw/zinc/48/86/46/1091488646.db2.gz ZIVCGOLYUMLIDD-UHFFFAOYSA-N 1 2 347.419 2.061 20 30 EEEDLO Cc1nnsc1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001438849962 1091488653 /nfs/dbraw/zinc/48/86/53/1091488653.db2.gz ZIVCGOLYUMLIDD-UHFFFAOYSA-N 1 2 347.419 2.061 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)COc2cccc(OC)c2)C1 ZINC001443818885 1098317943 /nfs/dbraw/zinc/31/79/43/1098317943.db2.gz HVMIRCGFANNFRE-CQSZACIVSA-N 1 2 338.835 2.359 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)COc2cccc(OC)c2)C1 ZINC001443818885 1098317954 /nfs/dbraw/zinc/31/79/54/1098317954.db2.gz HVMIRCGFANNFRE-CQSZACIVSA-N 1 2 338.835 2.359 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCc2nc(C(C)C)no2)C1 ZINC001494845932 1104445227 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20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](Cc2nc3ccccc3c(=O)[nH]2)C(C)C)C1=O ZINC000337156392 465219839 /nfs/dbraw/zinc/21/98/39/465219839.db2.gz OUVBXJOSVFHIKG-MRXNPFEDSA-N 1 2 340.427 2.333 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)C1=O ZINC000337175976 465228777 /nfs/dbraw/zinc/22/87/77/465228777.db2.gz IZMLJBYNMHBASN-QZTJIDSGSA-N 1 2 342.418 2.367 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)C1=O ZINC000337175976 465228781 /nfs/dbraw/zinc/22/87/81/465228781.db2.gz IZMLJBYNMHBASN-QZTJIDSGSA-N 1 2 342.418 2.367 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2[C@@H](C(=O)OC)CC[C@H]2c2ccccc2)C1=O ZINC000337248648 465267148 /nfs/dbraw/zinc/26/71/48/465267148.db2.gz PRPIYZNKWJDPFK-YESZJQIVSA-N 1 2 328.412 2.152 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2[C@@H](C(=O)OC)CC[C@H]2c2ccccc2)C1=O ZINC000337248648 465267153 /nfs/dbraw/zinc/26/71/53/465267153.db2.gz PRPIYZNKWJDPFK-YESZJQIVSA-N 1 2 328.412 2.152 20 30 EEEDLO Cc1noc([C@@H]2CCCCN2C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000329601348 465383087 /nfs/dbraw/zinc/38/30/87/465383087.db2.gz FDPDQVGLSYADRR-FZMZJTMJSA-N 1 2 330.392 2.100 20 30 EEEDLO Cc1noc([C@@H]2CCCCN2C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000329601348 465383095 /nfs/dbraw/zinc/38/30/95/465383095.db2.gz FDPDQVGLSYADRR-FZMZJTMJSA-N 1 2 330.392 2.100 20 30 EEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1cn[nH]c1 ZINC000085826195 462562444 /nfs/dbraw/zinc/56/24/44/462562444.db2.gz SPGPLLSTRLWNSN-AWEZNQCLSA-N 1 2 341.415 2.185 20 30 EEEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1cn[nH]c1 ZINC000085826195 462562449 /nfs/dbraw/zinc/56/24/49/462562449.db2.gz SPGPLLSTRLWNSN-AWEZNQCLSA-N 1 2 341.415 2.185 20 30 EEEDLO C=C[C@@H](C)NC(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000128151563 462614629 /nfs/dbraw/zinc/61/46/29/462614629.db2.gz DISJEGYMVLHXHR-CQSZACIVSA-N 1 2 333.432 2.106 20 30 EEEDLO C=CCc1ccc(OCC(=O)NC[C@H](C)Cn2cc[nH+]c2)c(OC)c1 ZINC000153514244 462660017 /nfs/dbraw/zinc/66/00/17/462660017.db2.gz OUYUWQPSCXOHRK-HNNXBMFYSA-N 1 2 343.427 2.452 20 30 EEEDLO N#Cc1cc(F)c(C(=O)NCCc2cn3c([nH+]2)CCCC3)c(F)c1 ZINC000154568424 462783996 /nfs/dbraw/zinc/78/39/96/462783996.db2.gz LDMDMZBOXCRULY-UHFFFAOYSA-N 1 2 330.338 2.342 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000131997771 462836934 /nfs/dbraw/zinc/83/69/34/462836934.db2.gz JZFGXNVCQOMARW-KRWDZBQOSA-N 1 2 341.411 2.358 20 30 EEEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCOC[C@H]1c1cccn1C ZINC000131997771 462836939 /nfs/dbraw/zinc/83/69/39/462836939.db2.gz JZFGXNVCQOMARW-KRWDZBQOSA-N 1 2 341.411 2.358 20 30 EEEDLO COc1ccc(OC)c(C[NH+]2CCN(c3ncccc3C#N)CC2)c1 ZINC000012817385 462871571 /nfs/dbraw/zinc/87/15/71/462871571.db2.gz XNZLFTJHROSPOR-UHFFFAOYSA-N 1 2 338.411 2.293 20 30 EEEDLO N#Cc1cc(F)c(C(=O)N2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000133642171 462954870 /nfs/dbraw/zinc/95/48/70/462954870.db2.gz LGLAZSACILHPBM-UHFFFAOYSA-N 1 2 328.322 2.194 20 30 EEEDLO N#CCOc1ccc(/C=C/C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000049934927 462979889 /nfs/dbraw/zinc/97/98/89/462979889.db2.gz ICDVSYMZHKVSND-RMKNXTFCSA-N 1 2 348.406 2.346 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000120390747 462993624 /nfs/dbraw/zinc/99/36/24/462993624.db2.gz FOZDDXLWNKZORL-ROUUACIJSA-N 1 2 342.487 2.349 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000120390747 462993628 /nfs/dbraw/zinc/99/36/28/462993628.db2.gz FOZDDXLWNKZORL-ROUUACIJSA-N 1 2 342.487 2.349 20 30 EEEDLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nc(C)cc(C)c2C#N)CC1 ZINC000023005649 463059902 /nfs/dbraw/zinc/05/99/02/463059902.db2.gz LJPXSQZIYYIWSQ-AWEZNQCLSA-N 1 2 332.473 2.215 20 30 EEEDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N)c(C)c1 ZINC000052660246 463097634 /nfs/dbraw/zinc/09/76/34/463097634.db2.gz JBIUZABMIZEOPY-MRXNPFEDSA-N 1 2 344.459 2.243 20 30 EEEDLO Cc1cc(C)c(NC(=O)C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N)c(C)c1 ZINC000052660246 463097636 /nfs/dbraw/zinc/09/76/36/463097636.db2.gz JBIUZABMIZEOPY-MRXNPFEDSA-N 1 2 344.459 2.243 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000135056626 463113282 /nfs/dbraw/zinc/11/32/82/463113282.db2.gz SFRGXYYAFYVKDS-PXNSSMCTSA-N 1 2 346.471 2.173 20 30 EEEDLO C[C@@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)C(=O)N1CCCCCC1 ZINC000158223724 463217088 /nfs/dbraw/zinc/21/70/88/463217088.db2.gz WUUCFPMCXIAUJG-CYBMUJFWSA-N 1 2 331.416 2.050 20 30 EEEDLO Cc1ccccc1NC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029443816 463257554 /nfs/dbraw/zinc/25/75/54/463257554.db2.gz KLTGGBBDHIGREV-UHFFFAOYSA-N 1 2 335.411 2.022 20 30 EEEDLO CCn1cc(C[N@@H+]2CCCN(C(=O)C3(C#N)CCCCC3)CC2)cn1 ZINC000069624631 463289489 /nfs/dbraw/zinc/28/94/89/463289489.db2.gz RNPYUIGFEXAPSI-UHFFFAOYSA-N 1 2 343.475 2.411 20 30 EEEDLO CCn1cc(C[N@H+]2CCCN(C(=O)C3(C#N)CCCCC3)CC2)cn1 ZINC000069624631 463289493 /nfs/dbraw/zinc/28/94/93/463289493.db2.gz RNPYUIGFEXAPSI-UHFFFAOYSA-N 1 2 343.475 2.411 20 30 EEEDLO CN(C(=O)C[N@@H+]1CCC[C@H]1c1cnn(C)c1)C1(C#N)CCCCC1 ZINC000069968241 463359766 /nfs/dbraw/zinc/35/97/66/463359766.db2.gz YCSCXWNWQYLSGS-INIZCTEOSA-N 1 2 329.448 2.242 20 30 EEEDLO CN(C(=O)C[N@H+]1CCC[C@H]1c1cnn(C)c1)C1(C#N)CCCCC1 ZINC000069968241 463359773 /nfs/dbraw/zinc/35/97/73/463359773.db2.gz YCSCXWNWQYLSGS-INIZCTEOSA-N 1 2 329.448 2.242 20 30 EEEDLO C=CCOc1ccc(/C=C\C(=O)NCCn2cc[nH+]c2)cc1OC ZINC000070752181 463382633 /nfs/dbraw/zinc/38/26/33/463382633.db2.gz CVAQYYUGJSMZBI-ALCCZGGFSA-N 1 2 327.384 2.286 20 30 EEEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)NCC(F)(F)F)CC2)c1 ZINC000104715780 463418889 /nfs/dbraw/zinc/41/88/89/463418889.db2.gz SUSMJUOVKFKHMO-UHFFFAOYSA-N 1 2 341.333 2.080 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc4cn[nH]c43)CC2)cc1 ZINC000039553456 463451342 /nfs/dbraw/zinc/45/13/42/463451342.db2.gz BDXXAZAECKYJGE-UHFFFAOYSA-N 1 2 345.406 2.393 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc4c[nH]nc43)CC2)cc1 ZINC000039553456 463451348 /nfs/dbraw/zinc/45/13/48/463451348.db2.gz BDXXAZAECKYJGE-UHFFFAOYSA-N 1 2 345.406 2.393 20 30 EEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)N(C)[C@H]2CCCC[C@H]2C)cs1 ZINC000151274711 463505230 /nfs/dbraw/zinc/50/52/30/463505230.db2.gz ZIJXBAVMKFBBSG-RISCZKNCSA-N 1 2 338.477 2.320 20 30 EEEDLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(=O)N(C(C)C)C(C)C)cs1 ZINC000072920174 463563985 /nfs/dbraw/zinc/56/39/85/463563985.db2.gz AZIOVOHCVADMPH-LLVKDONJSA-N 1 2 326.466 2.317 20 30 EEEDLO CNC(=O)c1cccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000072957382 463566413 /nfs/dbraw/zinc/56/64/13/463566413.db2.gz GAMFNCJSSBJMRV-UHFFFAOYSA-N 1 2 348.450 2.236 20 30 EEEDLO C[C@@H](C(=O)Nc1ncccc1OCCCC#N)[NH+]1CCSCC1 ZINC000152024732 463632488 /nfs/dbraw/zinc/63/24/88/463632488.db2.gz IURDXCPJVMDBFC-ZDUSSCGKSA-N 1 2 334.445 2.140 20 30 EEEDLO CCn1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000043645761 463650426 /nfs/dbraw/zinc/65/04/26/463650426.db2.gz OFRZWDGSVLDBCD-UHFFFAOYSA-N 1 2 338.415 2.124 20 30 EEEDLO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H](F)C(F)(F)F ZINC000277401163 463914068 /nfs/dbraw/zinc/91/40/68/463914068.db2.gz LAPKTWQVTALPJZ-ZDUSSCGKSA-N 1 2 331.313 2.349 20 30 EEEDLO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(F)C(F)(F)F ZINC000277401163 463914079 /nfs/dbraw/zinc/91/40/79/463914079.db2.gz LAPKTWQVTALPJZ-ZDUSSCGKSA-N 1 2 331.313 2.349 20 30 EEEDLO C=C(CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000287932589 464025678 /nfs/dbraw/zinc/02/56/78/464025678.db2.gz DYWJVLLVHWIFST-GOSISDBHSA-N 1 2 329.444 2.206 20 30 EEEDLO CCOc1ccccc1[C@H](CC)NC(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000283912772 464039325 /nfs/dbraw/zinc/03/93/25/464039325.db2.gz DPSCSCXKYMAQMV-GOEBONIOSA-N 1 2 349.431 2.120 20 30 EEEDLO CC[C@H](NC(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000283920334 464043449 /nfs/dbraw/zinc/04/34/49/464043449.db2.gz DTHVLAZMMKNSNV-UONOGXRCSA-N 1 2 339.823 2.375 20 30 EEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000279220268 464068902 /nfs/dbraw/zinc/06/89/02/464068902.db2.gz QDIWAKJNACRXMO-QZTJIDSGSA-N 1 2 330.428 2.018 20 30 EEEDLO CC(C)C[C@H](NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1)c1ccccc1 ZINC000284020044 464072195 /nfs/dbraw/zinc/07/21/95/464072195.db2.gz IBTYXQWDYIJSQC-HOTGVXAUSA-N 1 2 333.432 2.358 20 30 EEEDLO C[C@H](c1cccc(O)c1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290015851 464104580 /nfs/dbraw/zinc/10/45/80/464104580.db2.gz SNAPIXWYQXSGTD-CYBMUJFWSA-N 1 2 345.424 2.126 20 30 EEEDLO C[C@H](c1cccc(O)c1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290015851 464104588 /nfs/dbraw/zinc/10/45/88/464104588.db2.gz SNAPIXWYQXSGTD-CYBMUJFWSA-N 1 2 345.424 2.126 20 30 EEEDLO N#Cc1ccc(N2CCC[C@@H](SCC[NH+]3CCOCC3)C2=O)cc1 ZINC000180024094 464226223 /nfs/dbraw/zinc/22/62/23/464226223.db2.gz YLBVIMSEXYNOAV-QGZVFWFLSA-N 1 2 345.468 2.119 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000280691584 464232007 /nfs/dbraw/zinc/23/20/07/464232007.db2.gz FSXPTQUPROWCQI-DAYGRLMNSA-N 1 2 332.448 2.078 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000280691584 464232015 /nfs/dbraw/zinc/23/20/15/464232015.db2.gz FSXPTQUPROWCQI-DAYGRLMNSA-N 1 2 332.448 2.078 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000270289375 464245417 /nfs/dbraw/zinc/24/54/17/464245417.db2.gz WHATVMLIXUTBEL-UHFFFAOYSA-N 1 2 338.411 2.316 20 30 EEEDLO NC(=[NH+]O[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@@H]1CCCO1 ZINC000284612870 464262401 /nfs/dbraw/zinc/26/24/01/464262401.db2.gz ZCKJHGYJTNFKKD-UONOGXRCSA-N 1 2 337.807 2.303 20 30 EEEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000271085771 464279610 /nfs/dbraw/zinc/27/96/10/464279610.db2.gz ZKMJDACHAXPFBZ-UHFFFAOYSA-N 1 2 326.849 2.060 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1=O ZINC000281199744 464368824 /nfs/dbraw/zinc/36/88/24/464368824.db2.gz CIQHXQZVYYYDAM-CPUCHLNUSA-N 1 2 347.434 2.110 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1=O ZINC000281199744 464368831 /nfs/dbraw/zinc/36/88/31/464368831.db2.gz CIQHXQZVYYYDAM-CPUCHLNUSA-N 1 2 347.434 2.110 20 30 EEEDLO COC(=O)N1CCN(c2ccc(NCc3ccc(C#N)o3)c[nH+]2)CC1 ZINC000293172151 464390405 /nfs/dbraw/zinc/39/04/05/464390405.db2.gz WGGASIQHQVNQPT-UHFFFAOYSA-N 1 2 341.371 2.047 20 30 EEEDLO C=CCc1cc(C[N@@H+]2CCNC(=O)[C@H]2CC(C)C)cc(OC)c1O ZINC000188917536 464395915 /nfs/dbraw/zinc/39/59/15/464395915.db2.gz NXSGHKLIWAFVMK-MRXNPFEDSA-N 1 2 332.444 2.476 20 30 EEEDLO C=CCc1cc(C[N@H+]2CCNC(=O)[C@H]2CC(C)C)cc(OC)c1O ZINC000188917536 464395920 /nfs/dbraw/zinc/39/59/20/464395920.db2.gz NXSGHKLIWAFVMK-MRXNPFEDSA-N 1 2 332.444 2.476 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1=O ZINC000281285196 464399493 /nfs/dbraw/zinc/39/94/93/464399493.db2.gz IYWZWAFBVYUAKZ-BBRMVZONSA-N 1 2 333.407 2.180 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1=O ZINC000281285196 464399499 /nfs/dbraw/zinc/39/94/99/464399499.db2.gz IYWZWAFBVYUAKZ-BBRMVZONSA-N 1 2 333.407 2.180 20 30 EEEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000285152473 464468653 /nfs/dbraw/zinc/46/86/53/464468653.db2.gz XTEYWOUITXLRAH-IBGZPJMESA-N 1 2 345.443 2.288 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545932591 468405585 /nfs/dbraw/zinc/40/55/85/468405585.db2.gz RXEDZGLVKXSIOC-HUUCEWRRSA-N 1 2 349.397 2.066 20 30 EEEDLO C[C@@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000285368630 464539499 /nfs/dbraw/zinc/53/94/99/464539499.db2.gz MIMPWXFJLPFYDK-ZIAGYGMSSA-N 1 2 347.434 2.200 20 30 EEEDLO COc1ccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)cc1OCCCC#N ZINC000190092215 464596334 /nfs/dbraw/zinc/59/63/34/464596334.db2.gz JLOWGCXYXJTUDN-AWEZNQCLSA-N 1 2 331.416 2.040 20 30 EEEDLO COc1ccc(C[N@H+]2CCN(C)C(=O)[C@@H]2C)cc1OCCCC#N ZINC000190092215 464596339 /nfs/dbraw/zinc/59/63/39/464596339.db2.gz JLOWGCXYXJTUDN-AWEZNQCLSA-N 1 2 331.416 2.040 20 30 EEEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3ccc(Cl)cc3)CC2)C1=O ZINC000281950765 464647350 /nfs/dbraw/zinc/64/73/50/464647350.db2.gz JPKMDWRHNCXUCB-KRWDZBQOSA-N 1 2 333.863 2.245 20 30 EEEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@H](C)c3cccc(OC)c3)CC2)C1=O ZINC000281976948 464655033 /nfs/dbraw/zinc/65/50/33/464655033.db2.gz LREUBSXOJDXLJQ-VQIMIIECSA-N 1 2 343.471 2.161 20 30 EEEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000272966913 464698063 /nfs/dbraw/zinc/69/80/63/464698063.db2.gz MNRACDNXIIGKAI-KRWDZBQOSA-N 1 2 345.491 2.029 20 30 EEEDLO C[C@@H]1CN(CC[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)CCO1 ZINC000282199471 464731929 /nfs/dbraw/zinc/73/19/29/464731929.db2.gz XBJXJPOKTQDEMS-OAHLLOKOSA-N 1 2 348.878 2.054 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)c1C ZINC000273992868 464732248 /nfs/dbraw/zinc/73/22/48/464732248.db2.gz MEUTXGRENXMWMV-INIZCTEOSA-N 1 2 344.459 2.010 20 30 EEEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)c1C ZINC000273992868 464732254 /nfs/dbraw/zinc/73/22/54/464732254.db2.gz MEUTXGRENXMWMV-INIZCTEOSA-N 1 2 344.459 2.010 20 30 EEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ncccc1OCCCC#N ZINC000274932417 464759480 /nfs/dbraw/zinc/75/94/80/464759480.db2.gz LFEIUCVDTIRWGI-CYBMUJFWSA-N 1 2 328.376 2.171 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1nncn1C ZINC000275032421 464762328 /nfs/dbraw/zinc/76/23/28/464762328.db2.gz AQAPRAMXWKNWBV-OLZOCXBDSA-N 1 2 333.461 2.131 20 30 EEEDLO C[C@@H]([C@H]1CCOC1)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000266225399 464769644 /nfs/dbraw/zinc/76/96/44/464769644.db2.gz QQISMMBNYQSCLP-STQMWFEESA-N 1 2 340.427 2.071 20 30 EEEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cc(C)nn1-c1ccccc1F ZINC000191091787 464776389 /nfs/dbraw/zinc/77/63/89/464776389.db2.gz NQHGWSKFBDYEFV-UHFFFAOYSA-N 1 2 346.406 2.393 20 30 EEEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cc(C)nn1-c1ccccc1F ZINC000191091787 464776393 /nfs/dbraw/zinc/77/63/93/464776393.db2.gz NQHGWSKFBDYEFV-UHFFFAOYSA-N 1 2 346.406 2.393 20 30 EEEDLO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)CCO2)n1 ZINC000192008385 464845824 /nfs/dbraw/zinc/84/58/24/464845824.db2.gz WNSCFVMUMLSFBL-QGZVFWFLSA-N 1 2 328.391 2.412 20 30 EEEDLO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)CCO2)n1 ZINC000192008385 464845833 /nfs/dbraw/zinc/84/58/33/464845833.db2.gz WNSCFVMUMLSFBL-QGZVFWFLSA-N 1 2 328.391 2.412 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000339752084 465488938 /nfs/dbraw/zinc/48/89/38/465488938.db2.gz IZKWGTOLYRYBCC-UHFFFAOYSA-N 1 2 328.334 2.199 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000339752084 465488941 /nfs/dbraw/zinc/48/89/41/465488941.db2.gz IZKWGTOLYRYBCC-UHFFFAOYSA-N 1 2 328.334 2.199 20 30 EEEDLO CCOC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000250477069 464930694 /nfs/dbraw/zinc/93/06/94/464930694.db2.gz RRYWGTCFCJQYGO-CJNGLKHVSA-N 1 2 344.415 2.096 20 30 EEEDLO CCOC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000250477069 464930697 /nfs/dbraw/zinc/93/06/97/464930697.db2.gz RRYWGTCFCJQYGO-CJNGLKHVSA-N 1 2 344.415 2.096 20 30 EEEDLO CCN(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[C@@H]1CCOC(C)(C)C1 ZINC000329541426 465366138 /nfs/dbraw/zinc/36/61/38/465366138.db2.gz DKQNZFLENLKWSQ-OAHLLOKOSA-N 1 2 341.496 2.291 20 30 EEEDLO CCN(C(=O)NCC[N@H+]1CCOC(C)(C)C1)[C@@H]1CCOC(C)(C)C1 ZINC000329541426 465366144 /nfs/dbraw/zinc/36/61/44/465366144.db2.gz DKQNZFLENLKWSQ-OAHLLOKOSA-N 1 2 341.496 2.291 20 30 EEEDLO C[NH+](C)C1(CNC(=O)N[C@@H]2CCc3[nH]cnc3C2)CCCCCC1 ZINC000329709279 465412055 /nfs/dbraw/zinc/41/20/55/465412055.db2.gz LNDDEWCBRYITFT-CQSZACIVSA-N 1 2 333.480 2.425 20 30 EEEDLO C[NH+](C)C1(CNC(=O)N[C@@H]2CCc3nc[nH]c3C2)CCCCCC1 ZINC000329709279 465412064 /nfs/dbraw/zinc/41/20/64/465412064.db2.gz LNDDEWCBRYITFT-CQSZACIVSA-N 1 2 333.480 2.425 20 30 EEEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339704089 465456320 /nfs/dbraw/zinc/45/63/20/465456320.db2.gz WBNRWNJOSVBVKY-INIZCTEOSA-N 1 2 329.444 2.264 20 30 EEEDLO Cc1c(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)nnn1CC1CCCC1 ZINC000329877765 465460136 /nfs/dbraw/zinc/46/01/36/465460136.db2.gz JTRCHIMONACQGP-UHFFFAOYSA-N 1 2 349.479 2.192 20 30 EEEDLO Cc1c(C(=O)NCC[N@H+]2CCOC(C)(C)C2)nnn1CC1CCCC1 ZINC000329877765 465460138 /nfs/dbraw/zinc/46/01/38/465460138.db2.gz JTRCHIMONACQGP-UHFFFAOYSA-N 1 2 349.479 2.192 20 30 EEEDLO CSc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000343039376 465471703 /nfs/dbraw/zinc/47/17/03/465471703.db2.gz HSMBMZLHMKEVBX-UHFFFAOYSA-N 1 2 333.457 2.097 20 30 EEEDLO Cc1nc(N2CCC(NC(=O)c3ccccc3)CC2)nc(N(C)C)[nH+]1 ZINC000330037299 465513605 /nfs/dbraw/zinc/51/36/05/465513605.db2.gz DEHOVNBADGGIML-UHFFFAOYSA-N 1 2 340.431 2.220 20 30 EEEDLO Cc1nc(N(C)C)nc(N2CCC(NC(=O)c3ccccc3)CC2)[nH+]1 ZINC000330037299 465513608 /nfs/dbraw/zinc/51/36/08/465513608.db2.gz DEHOVNBADGGIML-UHFFFAOYSA-N 1 2 340.431 2.220 20 30 EEEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@@H]2CCCC2(C)C)C1 ZINC000330070320 465523191 /nfs/dbraw/zinc/52/31/91/465523191.db2.gz WZHBYIYUXRLHGX-HUUCEWRRSA-N 1 2 331.464 2.475 20 30 EEEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@@H]2CCCC2(C)C)C1 ZINC000330070320 465523193 /nfs/dbraw/zinc/52/31/93/465523193.db2.gz WZHBYIYUXRLHGX-HUUCEWRRSA-N 1 2 331.464 2.475 20 30 EEEDLO Cc1cccc(C)c1OCCNC(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352464479 465532333 /nfs/dbraw/zinc/53/23/33/465532333.db2.gz UNTSHUFVYJBJSO-UHFFFAOYSA-N 1 2 333.407 2.126 20 30 EEEDLO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CCC(F)(C#N)CC1 ZINC000352484000 465532967 /nfs/dbraw/zinc/53/29/67/465532967.db2.gz KGDVBJHCHHFBQW-ZFWWWQNUSA-N 1 2 331.391 2.343 20 30 EEEDLO N#CC1(F)CC[NH+](CC(=O)NCCCOC2CCCCC2)CC1 ZINC000352480525 465533162 /nfs/dbraw/zinc/53/31/62/465533162.db2.gz CXWIFAKMAPFYPH-UHFFFAOYSA-N 1 2 325.428 2.170 20 30 EEEDLO N#CCCCOc1cccnc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597084465 468437825 /nfs/dbraw/zinc/43/78/25/468437825.db2.gz UKLRSGFRIOATLO-ZDUSSCGKSA-N 1 2 325.372 2.162 20 30 EEEDLO Cc1ccc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cc1-c1ncco1 ZINC000330142387 465547062 /nfs/dbraw/zinc/54/70/62/465547062.db2.gz YFXPOTLMQBDEJV-HNNXBMFYSA-N 1 2 343.431 2.222 20 30 EEEDLO Cc1ccc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc1-c1ncco1 ZINC000330142387 465547067 /nfs/dbraw/zinc/54/70/67/465547067.db2.gz YFXPOTLMQBDEJV-HNNXBMFYSA-N 1 2 343.431 2.222 20 30 EEEDLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@H]21)Nc1nc2c(s1)CCC2 ZINC000330174969 465558444 /nfs/dbraw/zinc/55/84/44/465558444.db2.gz ISHXWVMYPBZASA-YPMHNXCESA-N 1 2 339.486 2.426 20 30 EEEDLO O=C(C[N@H+]1CCS[C@H]2COCC[C@H]21)Nc1nc2c(s1)CCC2 ZINC000330174969 465558449 /nfs/dbraw/zinc/55/84/49/465558449.db2.gz ISHXWVMYPBZASA-YPMHNXCESA-N 1 2 339.486 2.426 20 30 EEEDLO Cc1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1OC(C)C ZINC000330194855 465564178 /nfs/dbraw/zinc/56/41/78/465564178.db2.gz OXZNMAWSXLULTK-DOTOQJQBSA-N 1 2 333.432 2.343 20 30 EEEDLO Cc1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1OC(C)C ZINC000330194855 465564181 /nfs/dbraw/zinc/56/41/81/465564181.db2.gz OXZNMAWSXLULTK-DOTOQJQBSA-N 1 2 333.432 2.343 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C)C[C@@H]1C(=O)OC ZINC000360542481 465577148 /nfs/dbraw/zinc/57/71/48/465577148.db2.gz JIFLPPDJBHMWEE-CGTJXYLNSA-N 1 2 347.455 2.428 20 30 EEEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C)C[C@@H]1C(=O)OC ZINC000360542481 465577152 /nfs/dbraw/zinc/57/71/52/465577152.db2.gz JIFLPPDJBHMWEE-CGTJXYLNSA-N 1 2 347.455 2.428 20 30 EEEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCOCC13CC3)CCC2 ZINC000555065399 468456173 /nfs/dbraw/zinc/45/61/73/468456173.db2.gz PLVYQJUSNPXHSV-UHFFFAOYSA-N 1 2 331.441 2.302 20 30 EEEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCOCC13CC3)CCC2 ZINC000555065399 468456175 /nfs/dbraw/zinc/45/61/75/468456175.db2.gz PLVYQJUSNPXHSV-UHFFFAOYSA-N 1 2 331.441 2.302 20 30 EEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000301199272 465920015 /nfs/dbraw/zinc/92/00/15/465920015.db2.gz ORUUKXVAMVJEAQ-LBPRGKRZSA-N 1 2 332.835 2.001 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Cl)cc2)C1 ZINC000594017840 468462958 /nfs/dbraw/zinc/46/29/58/468462958.db2.gz LRSVEOHCGXGGNQ-ILXRZTDVSA-N 1 2 337.803 2.256 20 30 EEEDLO C=C[C@@H](C(=O)OC)[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Cl)cc2)C1 ZINC000594017840 468462959 /nfs/dbraw/zinc/46/29/59/468462959.db2.gz LRSVEOHCGXGGNQ-ILXRZTDVSA-N 1 2 337.803 2.256 20 30 EEEDLO N#Cc1ccnc(Nc2cccc(C[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000301619855 465998465 /nfs/dbraw/zinc/99/84/65/465998465.db2.gz DPYARQLLPXFAAD-UHFFFAOYSA-N 1 2 339.355 2.437 20 30 EEEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)[nH]1 ZINC000597184375 468474056 /nfs/dbraw/zinc/47/40/56/468474056.db2.gz TZXCSVSDBRBQJS-UHFFFAOYSA-N 1 2 330.413 2.057 20 30 EEEDLO C=CC[C@@H](C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000354416330 466552092 /nfs/dbraw/zinc/55/20/92/466552092.db2.gz CYFUQKAIVNJHFU-CJNGLKHVSA-N 1 2 332.448 2.098 20 30 EEEDLO C=CC[C@@H](C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000354416330 466552096 /nfs/dbraw/zinc/55/20/96/466552096.db2.gz CYFUQKAIVNJHFU-CJNGLKHVSA-N 1 2 332.448 2.098 20 30 EEEDLO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000332691029 466552239 /nfs/dbraw/zinc/55/22/39/466552239.db2.gz QKPIYQDXORRCNK-LIRRHRJNSA-N 1 2 329.444 2.496 20 30 EEEDLO COc1cccc2c1CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000332691029 466552244 /nfs/dbraw/zinc/55/22/44/466552244.db2.gz QKPIYQDXORRCNK-LIRRHRJNSA-N 1 2 329.444 2.496 20 30 EEEDLO COc1cccc2c1CC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000332691028 466552805 /nfs/dbraw/zinc/55/28/05/466552805.db2.gz QKPIYQDXORRCNK-KUHUBIRLSA-N 1 2 329.444 2.496 20 30 EEEDLO COc1cccc2c1CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000332691028 466552813 /nfs/dbraw/zinc/55/28/13/466552813.db2.gz QKPIYQDXORRCNK-KUHUBIRLSA-N 1 2 329.444 2.496 20 30 EEEDLO N#Cc1ccc(Br)c(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1 ZINC000372809247 466598240 /nfs/dbraw/zinc/59/82/40/466598240.db2.gz XFODGSWNYQTIEI-NJZAAPMLSA-N 1 2 348.244 2.407 20 30 EEEDLO N#Cc1ccc(Br)c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1 ZINC000372809247 466598245 /nfs/dbraw/zinc/59/82/45/466598245.db2.gz XFODGSWNYQTIEI-NJZAAPMLSA-N 1 2 348.244 2.407 20 30 EEEDLO CO[C@@H]1CCCN(c2[nH+]c(C)cc(N3CCC[C@H](OC)C3)c2C#N)C1 ZINC000408524508 466679118 /nfs/dbraw/zinc/67/91/18/466679118.db2.gz VERQWZYOHWUQDJ-JKSUJKDBSA-N 1 2 344.459 2.492 20 30 EEEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000369313445 466725833 /nfs/dbraw/zinc/72/58/33/466725833.db2.gz ASNXAGZCTHJBQL-SFHVURJKSA-N 1 2 338.411 2.081 20 30 EEEDLO C#CCC1(C(=O)N2CCCN(Cc3[nH+]ccn3C)CC2)CCCCC1 ZINC000365047539 466729271 /nfs/dbraw/zinc/72/92/71/466729271.db2.gz KLFLRGVIEKAGQI-UHFFFAOYSA-N 1 2 342.487 2.428 20 30 EEEDLO N#C[C@@H]1N(C(=O)Cc2cn3ccccc3[nH+]2)CCC[C@]12CCCCO2 ZINC000373376663 466783451 /nfs/dbraw/zinc/78/34/51/466783451.db2.gz KCDOGGWWCDVXIB-QFBILLFUSA-N 1 2 338.411 2.331 20 30 EEEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCCc1cccc(C#N)c1 ZINC000374195114 467031602 /nfs/dbraw/zinc/03/16/02/467031602.db2.gz UQERNRVVPNQHMQ-UHFFFAOYSA-N 1 2 337.427 2.475 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413262738 467199991 /nfs/dbraw/zinc/19/99/91/467199991.db2.gz GHDMWSOOGOSFNX-KRXQYRFLSA-N 1 2 332.448 2.077 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413262738 467199995 /nfs/dbraw/zinc/19/99/95/467199995.db2.gz GHDMWSOOGOSFNX-KRXQYRFLSA-N 1 2 332.448 2.077 20 30 EEEDLO N#Cc1ccc(CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)cc1F ZINC000450903506 467202272 /nfs/dbraw/zinc/20/22/72/467202272.db2.gz CZWKTXNCWVYEHX-OAHLLOKOSA-N 1 2 341.390 2.451 20 30 EEEDLO N#Cc1ccc(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)cc1F ZINC000450903506 467202277 /nfs/dbraw/zinc/20/22/77/467202277.db2.gz CZWKTXNCWVYEHX-OAHLLOKOSA-N 1 2 341.390 2.451 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)COc1cc(Br)cc(F)c1F ZINC000414120266 467378827 /nfs/dbraw/zinc/37/88/27/467378827.db2.gz BQDKNEQVEZJTSX-JTQLQIEISA-N 1 2 349.175 2.312 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cc(Br)cc(F)c1F ZINC000414120266 467378832 /nfs/dbraw/zinc/37/88/32/467378832.db2.gz BQDKNEQVEZJTSX-JTQLQIEISA-N 1 2 349.175 2.312 20 30 EEEDLO C=CCNC(=O)c1cccc(-c2noc([C@@H]3C[N@H+](CC)CCO3)n2)c1 ZINC000420506123 467421736 /nfs/dbraw/zinc/42/17/36/467421736.db2.gz RICDGUXWYBCDQG-HNNXBMFYSA-N 1 2 342.399 2.046 20 30 EEEDLO C=CCNC(=O)c1cccc(-c2noc([C@@H]3C[N@@H+](CC)CCO3)n2)c1 ZINC000420506123 467421741 /nfs/dbraw/zinc/42/17/41/467421741.db2.gz RICDGUXWYBCDQG-HNNXBMFYSA-N 1 2 342.399 2.046 20 30 EEEDLO C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000453971757 467559629 /nfs/dbraw/zinc/55/96/29/467559629.db2.gz JIVPYTXOQUYTPP-SWLSCSKDSA-N 1 2 340.383 2.209 20 30 EEEDLO CC#CCNC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000441133596 467571485 /nfs/dbraw/zinc/57/14/85/467571485.db2.gz NKEHSIMDDPXMDT-INIZCTEOSA-N 1 2 329.444 2.324 20 30 EEEDLO CC#CCNC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000441133596 467571486 /nfs/dbraw/zinc/57/14/86/467571486.db2.gz NKEHSIMDDPXMDT-INIZCTEOSA-N 1 2 329.444 2.324 20 30 EEEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)c2ccc(C#N)s2)C1 ZINC000442832319 467577951 /nfs/dbraw/zinc/57/79/51/467577951.db2.gz AYRCOCLGSJCSDX-KRWDZBQOSA-N 1 2 349.456 2.156 20 30 EEEDLO C=CC[C@H]1N(S(=O)(=O)CCC[NH+]2CCOCC2)CCCC1(C)C ZINC000443966930 467581403 /nfs/dbraw/zinc/58/14/03/467581403.db2.gz ONKNLWQYLBEOSP-MRXNPFEDSA-N 1 2 344.521 2.105 20 30 EEEDLO CC(C)OC(C)(C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000448578701 467593977 /nfs/dbraw/zinc/59/39/77/467593977.db2.gz PRZAUQJUARSPTC-UHFFFAOYSA-N 1 2 329.444 2.406 20 30 EEEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000448588999 467594889 /nfs/dbraw/zinc/59/48/89/467594889.db2.gz YGOLJBZIAMMVSB-RDTXWAMCSA-N 1 2 347.846 2.413 20 30 EEEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000448621567 467596589 /nfs/dbraw/zinc/59/65/89/467596589.db2.gz LFKWIFUZOCANDJ-KDOFPFPSSA-N 1 2 347.846 2.413 20 30 EEEDLO C#CC[C@@]1(C(=O)OCCn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000496864629 467726632 /nfs/dbraw/zinc/72/66/32/467726632.db2.gz LTCQUBWALMCGKP-SFHVURJKSA-N 1 2 347.415 2.219 20 30 EEEDLO CN(CC(C)(C)C#N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000457440686 467823529 /nfs/dbraw/zinc/82/35/29/467823529.db2.gz COAVHUHTHVZLGH-QGZVFWFLSA-N 1 2 344.459 2.079 20 30 EEEDLO CN(CC(C)(C)C#N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000457440686 467823534 /nfs/dbraw/zinc/82/35/34/467823534.db2.gz COAVHUHTHVZLGH-QGZVFWFLSA-N 1 2 344.459 2.079 20 30 EEEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000497155954 467862403 /nfs/dbraw/zinc/86/24/03/467862403.db2.gz UDBIFUFSLAYYJO-AWEZNQCLSA-N 1 2 332.360 2.129 20 30 EEEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000497155954 467862405 /nfs/dbraw/zinc/86/24/05/467862405.db2.gz UDBIFUFSLAYYJO-AWEZNQCLSA-N 1 2 332.360 2.129 20 30 EEEDLO CSc1nc(C2CC2)cc(C(=O)NCCc2[nH]cc[nH+]2)c1C#N ZINC000530577366 467994460 /nfs/dbraw/zinc/99/44/60/467994460.db2.gz YHTSICUMXZNFPQ-UHFFFAOYSA-N 1 2 327.413 2.248 20 30 EEEDLO CC(C)[C@@H](C(=O)Nc1cc(CC#N)ccn1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000531670353 468068478 /nfs/dbraw/zinc/06/84/78/468068478.db2.gz HWIKHBAZUUPBIL-CPUCHLNUSA-N 1 2 330.432 2.220 20 30 EEEDLO N#CCC1CC[NH+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1 ZINC000517196568 468074369 /nfs/dbraw/zinc/07/43/69/468074369.db2.gz ZCJXIRASTYBHNL-UHFFFAOYSA-N 1 2 337.445 2.190 20 30 EEEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN([C@H]3CC[C@@H](C#N)C3)CC2)C1 ZINC000495594157 468097383 /nfs/dbraw/zinc/09/73/83/468097383.db2.gz MCWLVXXLFQKBNU-IKGGRYGDSA-N 1 2 348.491 2.306 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(F)cc3)C2)nc1 ZINC000518355634 468113199 /nfs/dbraw/zinc/11/31/99/468113199.db2.gz XYSJCWALJPLTAQ-MRXNPFEDSA-N 1 2 340.358 2.184 20 30 EEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3ccc(F)cc3)C2)nc1 ZINC000518355634 468113201 /nfs/dbraw/zinc/11/32/01/468113201.db2.gz XYSJCWALJPLTAQ-MRXNPFEDSA-N 1 2 340.358 2.184 20 30 EEEDLO COc1ccccc1[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1ccco1 ZINC000575040731 468135020 /nfs/dbraw/zinc/13/50/20/468135020.db2.gz ISKNIRQORSORFS-HNAYVOBHSA-N 1 2 343.427 2.174 20 30 EEEDLO COc1ccccc1[C@@H](NC[C@H](O)C[N@H+](C)CCC#N)c1ccco1 ZINC000575040731 468135024 /nfs/dbraw/zinc/13/50/24/468135024.db2.gz ISKNIRQORSORFS-HNAYVOBHSA-N 1 2 343.427 2.174 20 30 EEEDLO COc1ccccc1[C@@H](NC[C@H](O)C[N@@H+](C)CCC#N)c1ccco1 ZINC000575040731 468135030 /nfs/dbraw/zinc/13/50/30/468135030.db2.gz ISKNIRQORSORFS-HNAYVOBHSA-N 1 2 343.427 2.174 20 30 EEEDLO CN(c1ccccc1)c1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cn1 ZINC000577116372 468178334 /nfs/dbraw/zinc/17/83/34/468178334.db2.gz YLEBGTJHGBGADE-IBGZPJMESA-N 1 2 337.427 2.423 20 30 EEEDLO N#Cc1ccc(/C=C\C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000490736406 468243715 /nfs/dbraw/zinc/24/37/15/468243715.db2.gz WNRJROKQDBFTGT-FPLPWBNLSA-N 1 2 348.406 2.119 20 30 EEEDLO Cc1cc2[nH+]cn(Cc3cn(CCn4cc(C#N)cn4)nn3)c2cc1C ZINC000594644173 468641358 /nfs/dbraw/zinc/64/13/58/468641358.db2.gz DDBZVAIDKVHXRG-UHFFFAOYSA-N 1 2 346.398 2.061 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000570846742 468703159 /nfs/dbraw/zinc/70/31/59/468703159.db2.gz DGAUPJCVZLUMHQ-DYVFJYSZSA-N 1 2 334.851 2.126 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cc(F)ccc1Br ZINC000572044329 468877129 /nfs/dbraw/zinc/87/71/29/468877129.db2.gz DMXASFIMAXQDKK-CQSZACIVSA-N 1 2 342.212 2.091 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2cccnc2)cc1 ZINC000572150147 468893762 /nfs/dbraw/zinc/89/37/62/468893762.db2.gz GQSILKOEFQBRON-MRXNPFEDSA-N 1 2 326.400 2.492 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2cccnc2)cc1 ZINC000572150147 468893764 /nfs/dbraw/zinc/89/37/64/468893764.db2.gz GQSILKOEFQBRON-MRXNPFEDSA-N 1 2 326.400 2.492 20 30 EEEDLO CC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H](C)C(=O)OC(C)(C)C ZINC000595603522 468919476 /nfs/dbraw/zinc/91/94/76/468919476.db2.gz NZPAHFJLPUXSCE-GDBMZVCRSA-N 1 2 348.443 2.350 20 30 EEEDLO CC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H](C)C(=O)OC(C)(C)C ZINC000595603522 468919477 /nfs/dbraw/zinc/91/94/77/468919477.db2.gz NZPAHFJLPUXSCE-GDBMZVCRSA-N 1 2 348.443 2.350 20 30 EEEDLO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000602666532 468996875 /nfs/dbraw/zinc/99/68/75/468996875.db2.gz KRMGIPYWFMJDKJ-DZGCQCFKSA-N 1 2 334.441 2.204 20 30 EEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc(Cc2ccccc2F)s1 ZINC000572845937 469006888 /nfs/dbraw/zinc/00/68/88/469006888.db2.gz IIAKTTAOCPBTEM-QGZVFWFLSA-N 1 2 346.431 2.447 20 30 EEEDLO Cc1noc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000585801076 469039334 /nfs/dbraw/zinc/03/93/34/469039334.db2.gz HBGAFGPCCRZDKD-GWCFXTLKSA-N 1 2 343.387 2.276 20 30 EEEDLO Cc1noc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000585801076 469039339 /nfs/dbraw/zinc/03/93/39/469039339.db2.gz HBGAFGPCCRZDKD-GWCFXTLKSA-N 1 2 343.387 2.276 20 30 EEEDLO CCOc1ccc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)nn1 ZINC000595889852 469065813 /nfs/dbraw/zinc/06/58/13/469065813.db2.gz DABZQYBRIMLFNV-UHFFFAOYSA-N 1 2 341.390 2.208 20 30 EEEDLO N#CCC1(C[NH+]2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000602802786 469086470 /nfs/dbraw/zinc/08/64/70/469086470.db2.gz UPTQLABGXFKEHM-MRXNPFEDSA-N 1 2 346.862 2.178 20 30 EEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000573383901 469120648 /nfs/dbraw/zinc/12/06/48/469120648.db2.gz JUPQVEVLDLBZQH-ZDUSSCGKSA-N 1 2 343.349 2.482 20 30 EEEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000602865181 469127967 /nfs/dbraw/zinc/12/79/67/469127967.db2.gz XHUCIJHXJKNQPA-NSHDSACASA-N 1 2 329.322 2.136 20 30 EEEDLO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)CC#N)cc1OC ZINC000602870812 469131629 /nfs/dbraw/zinc/13/16/29/469131629.db2.gz XKYMZCZNAKSRNH-HIFRSBDPSA-N 1 2 331.416 2.259 20 30 EEEDLO C[C@@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc(C#N)cc1 ZINC000596166471 469183182 /nfs/dbraw/zinc/18/31/82/469183182.db2.gz ZGLKANGGDPQAJO-RRFJBIMHSA-N 1 2 330.432 2.028 20 30 EEEDLO C[C@@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc(C#N)cc1 ZINC000596166471 469183187 /nfs/dbraw/zinc/18/31/87/469183187.db2.gz ZGLKANGGDPQAJO-RRFJBIMHSA-N 1 2 330.432 2.028 20 30 EEEDLO Cn1nc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c2ccccc21 ZINC000611253835 469210355 /nfs/dbraw/zinc/21/03/55/469210355.db2.gz KJVQTJYIRVVTDA-UHFFFAOYSA-N 1 2 332.411 2.162 20 30 EEEDLO CC(C)[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)C(=O)OC(C)(C)C ZINC000599359799 469226614 /nfs/dbraw/zinc/22/66/14/469226614.db2.gz UZFUCQMRXNCOGH-WBVHZDCISA-N 1 2 348.443 2.254 20 30 EEEDLO N#CCCN(C(=O)CN1CCc2[nH+]c[nH]c2C1)c1cccc(Cl)c1 ZINC000599430568 469253269 /nfs/dbraw/zinc/25/32/69/469253269.db2.gz WKLROFLXNBRYMV-UHFFFAOYSA-N 1 2 343.818 2.368 20 30 EEEDLO Cc1ccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1Br ZINC000565051975 469266654 /nfs/dbraw/zinc/26/66/54/469266654.db2.gz STDMMIOZLMYWSQ-OAHLLOKOSA-N 1 2 338.249 2.260 20 30 EEEDLO CC(C)(C#N)C[C@@H](O)Cn1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000603266264 469329585 /nfs/dbraw/zinc/32/95/85/469329585.db2.gz FPGIJDNCWBNKQG-MRXNPFEDSA-N 1 2 331.395 2.008 20 30 EEEDLO CCCCNC(=O)CN1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000612544501 469492964 /nfs/dbraw/zinc/49/29/64/469492964.db2.gz REAQEQJOYVSRBJ-INIZCTEOSA-N 1 2 328.460 2.153 20 30 EEEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3n[nH]c4ccccc43)C2=O)cc1 ZINC000616997615 469564583 /nfs/dbraw/zinc/56/45/83/469564583.db2.gz WEYABQFEZNJUME-SFHVURJKSA-N 1 2 345.406 2.325 20 30 EEEDLO CCOC(=O)C[N@@H+]1CCCN(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613417680 469707352 /nfs/dbraw/zinc/70/73/52/469707352.db2.gz FUWUGOMGDVBDAK-UHFFFAOYSA-N 1 2 344.459 2.326 20 30 EEEDLO CCOC(=O)C[N@H+]1CCCN(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613417680 469707356 /nfs/dbraw/zinc/70/73/56/469707356.db2.gz FUWUGOMGDVBDAK-UHFFFAOYSA-N 1 2 344.459 2.326 20 30 EEEDLO COc1ccc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000609484947 469931752 /nfs/dbraw/zinc/93/17/52/469931752.db2.gz SOSSPVBPFODVPL-INIZCTEOSA-N 1 2 332.404 2.269 20 30 EEEDLO CC#CC[NH2+]Cc1cn(CC(=O)C23CC4CC(CC(C4)C2)C3)nn1 ZINC000640785139 471027466 /nfs/dbraw/zinc/02/74/66/471027466.db2.gz PPBQLSFZEHMAMD-UHFFFAOYSA-N 1 2 326.444 2.177 20 30 EEEDLO CC#CC[NH2+]Cc1cn(CCOc2ccc(Br)cc2)nn1 ZINC000640789726 471029340 /nfs/dbraw/zinc/02/93/40/471029340.db2.gz CNIKICOFLYCKDT-UHFFFAOYSA-N 1 2 349.232 2.233 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000653124379 471499649 /nfs/dbraw/zinc/49/96/49/471499649.db2.gz VVXVHSKEQIMNCB-PMPSAXMXSA-N 1 2 344.390 2.291 20 30 EEEDLO C=CCCCCCN(C)C(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000659255581 471553110 /nfs/dbraw/zinc/55/31/10/471553110.db2.gz JUGFICIPFYZKHR-MRXNPFEDSA-N 1 2 332.448 2.251 20 30 EEEDLO C=CCCn1cc(C[N@@H+](C)Cc2ccccc2N2CCOCC2)nn1 ZINC000653484427 471634554 /nfs/dbraw/zinc/63/45/54/471634554.db2.gz IUEOBUYRUVAKDN-UHFFFAOYSA-N 1 2 341.459 2.323 20 30 EEEDLO C=CCCn1cc(C[N@H+](C)Cc2ccccc2N2CCOCC2)nn1 ZINC000653484427 471634562 /nfs/dbraw/zinc/63/45/62/471634562.db2.gz IUEOBUYRUVAKDN-UHFFFAOYSA-N 1 2 341.459 2.323 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC(=O)N(C)CC1 ZINC000661813105 471892456 /nfs/dbraw/zinc/89/24/56/471892456.db2.gz FCQNKIIYAFJDIJ-UHFFFAOYSA-N 1 2 333.457 2.067 20 30 EEEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC(=O)N(C)CC1 ZINC000661813105 471892463 /nfs/dbraw/zinc/89/24/63/471892463.db2.gz FCQNKIIYAFJDIJ-UHFFFAOYSA-N 1 2 333.457 2.067 20 30 EEEDLO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2Cc2ncc(C#N)cn2)CC1 ZINC000496505290 534806447 /nfs/dbraw/zinc/80/64/47/534806447.db2.gz OVZKPLKURVGKOR-UHFFFAOYSA-N 1 2 343.431 2.324 20 30 EEEDLO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2Cc2ncc(C#N)cn2)CC1 ZINC000496505290 534806455 /nfs/dbraw/zinc/80/64/55/534806455.db2.gz OVZKPLKURVGKOR-UHFFFAOYSA-N 1 2 343.431 2.324 20 30 EEEDLO C=CCN(CCc1ccccc1)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106581103 526310261 /nfs/dbraw/zinc/31/02/61/526310261.db2.gz QYBATWPWKAWOEA-GOSISDBHSA-N 1 2 344.503 2.063 20 30 EEEDLO C=CC[N@H+](Cc1cccc(-n2cccn2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361003 526342744 /nfs/dbraw/zinc/34/27/44/526342744.db2.gz FDYABKARDAJXEX-QGZVFWFLSA-N 1 2 331.441 2.047 20 30 EEEDLO C=CC[N@@H+](Cc1cccc(-n2cccn2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361003 526342745 /nfs/dbraw/zinc/34/27/45/526342745.db2.gz FDYABKARDAJXEX-QGZVFWFLSA-N 1 2 331.441 2.047 20 30 EEEDLO C#CCCCC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000191985192 526681346 /nfs/dbraw/zinc/68/13/46/526681346.db2.gz LHTRWSIJABYNEL-UHFFFAOYSA-N 1 2 344.846 2.435 20 30 EEEDLO C=CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCN(C)CC2)CC1 ZINC000110365295 526971781 /nfs/dbraw/zinc/97/17/81/526971781.db2.gz MFPZDVMLNHCFNS-LJQANCHMSA-N 1 2 327.472 2.400 20 30 EEEDLO CC[N@H+](CCC(=O)OC)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000728918504 576559850 /nfs/dbraw/zinc/55/98/50/576559850.db2.gz ZPOUJGHLENLDRA-GFCCVEGCSA-N 1 2 345.424 2.358 20 30 EEEDLO CC[N@@H+](CCC(=O)OC)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000728918504 576559852 /nfs/dbraw/zinc/55/98/52/576559852.db2.gz ZPOUJGHLENLDRA-GFCCVEGCSA-N 1 2 345.424 2.358 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1sccc1Br ZINC000730281724 577015611 /nfs/dbraw/zinc/01/56/11/577015611.db2.gz UGRAPKZDAMELHB-NSHDSACASA-N 1 2 327.247 2.224 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1sccc1Br ZINC000730281724 577015612 /nfs/dbraw/zinc/01/56/12/577015612.db2.gz UGRAPKZDAMELHB-NSHDSACASA-N 1 2 327.247 2.224 20 30 EEEDLO Nc1nc(Cl)c(C=[NH+]Nc2ccc(F)cn2)c(N2CCCC2)n1 ZINC000731319422 577094038 /nfs/dbraw/zinc/09/40/38/577094038.db2.gz QAKFCJXUWYPNGG-UHFFFAOYSA-N 1 2 335.774 2.293 20 30 EEEDLO CCCCCCCCNC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000774767649 577416836 /nfs/dbraw/zinc/41/68/36/577416836.db2.gz UAHFCBJZOQKZDE-OAHLLOKOSA-N 1 2 334.464 2.213 20 30 EEEDLO C[C@H](C(=O)OCCCOc1ccc(C#N)cc1)[NH+]1CCSCC1 ZINC000774984807 577425373 /nfs/dbraw/zinc/42/53/73/577425373.db2.gz XPVBVJFOELDMHR-CQSZACIVSA-N 1 2 334.441 2.308 20 30 EEEDLO C[S@](=O)CC[NH+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000766080133 577512429 /nfs/dbraw/zinc/51/24/29/577512429.db2.gz LJEHQFVCCSIJAO-QHCPKHFHSA-N 1 2 345.390 2.078 20 30 EEEDLO C#CCOc1ccccc1C[NH+]1CCN(C(=O)N(CC)CC)CC1 ZINC000768297400 577553397 /nfs/dbraw/zinc/55/33/97/577553397.db2.gz YOLYTEHZCUQAJP-UHFFFAOYSA-N 1 2 329.444 2.278 20 30 EEEDLO CN(C)C(=O)Sc1cccc(C[NH+]2CCN(CCC#N)CC2)c1 ZINC000760945502 577672653 /nfs/dbraw/zinc/67/26/53/577672653.db2.gz YNJJMKMXJNVTEO-UHFFFAOYSA-N 1 2 332.473 2.492 20 30 EEEDLO C[C@H](C#N)Oc1ccc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000761837364 577689900 /nfs/dbraw/zinc/68/99/00/577689900.db2.gz DODMWUMCMXBRKL-CYBMUJFWSA-N 1 2 333.355 2.399 20 30 EEEDLO C#CC[N@@H+](Cc1[nH]c(C(=O)OCC)c(C)c1C(=O)OCC)C1CC1 ZINC000763949274 577728496 /nfs/dbraw/zinc/72/84/96/577728496.db2.gz JSXVBHTYDXZYBO-UHFFFAOYSA-N 1 2 332.400 2.274 20 30 EEEDLO C#CC[N@H+](Cc1[nH]c(C(=O)OCC)c(C)c1C(=O)OCC)C1CC1 ZINC000763949274 577728497 /nfs/dbraw/zinc/72/84/97/577728497.db2.gz JSXVBHTYDXZYBO-UHFFFAOYSA-N 1 2 332.400 2.274 20 30 EEEDLO C[C@H](NC(=S)N[NH+]=Cc1ccc(N2CCOCC2)s1)C1CC1 ZINC000751528301 577754876 /nfs/dbraw/zinc/75/48/76/577754876.db2.gz AGYXYDYGHPNSKP-NSHDSACASA-N 1 2 338.502 2.181 20 30 EEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2CCSC2)CC1=O ZINC000742266070 577870256 /nfs/dbraw/zinc/87/02/56/577870256.db2.gz JHAQPESJTFZDCV-NSHDSACASA-N 1 2 328.441 2.152 20 30 EEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000746456793 577928015 /nfs/dbraw/zinc/92/80/15/577928015.db2.gz JMOVKBUAQJKGCO-UHFFFAOYSA-N 1 2 330.819 2.478 20 30 EEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000746456793 577928016 /nfs/dbraw/zinc/92/80/16/577928016.db2.gz JMOVKBUAQJKGCO-UHFFFAOYSA-N 1 2 330.819 2.478 20 30 EEEDLO C[C@@H](O[NH+]=C(N)c1ccc(F)cc1)C(=O)NCCc1cccs1 ZINC000749787701 577981622 /nfs/dbraw/zinc/98/16/22/577981622.db2.gz VXPUMTCHFPCIRT-LLVKDONJSA-N 1 2 335.404 2.272 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(OC)c3ccccc23)CC1 ZINC000749873171 577983117 /nfs/dbraw/zinc/98/31/17/577983117.db2.gz BLJYGHMRSXCGNA-UHFFFAOYSA-N 1 2 338.407 2.005 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CNC(=O)OC(C)C)cc1 ZINC000735070241 578131829 /nfs/dbraw/zinc/13/18/29/578131829.db2.gz ZPYBUUWEQJSCBY-KRWDZBQOSA-N 1 2 343.427 2.357 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CNC(=O)OC(C)C)cc1 ZINC000735070241 578131830 /nfs/dbraw/zinc/13/18/30/578131830.db2.gz ZPYBUUWEQJSCBY-KRWDZBQOSA-N 1 2 343.427 2.357 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c(CC)ncnc2CC)C1 ZINC000970436601 675896484 /nfs/dbraw/zinc/89/64/84/675896484.db2.gz JENVRVRKKSZFBU-GFCCVEGCSA-N 1 2 336.867 2.404 20 30 EEEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2ccncc2Cl)C1 ZINC000969461796 675057995 /nfs/dbraw/zinc/05/79/95/675057995.db2.gz AVLHUYGXVJGMMI-NSHDSACASA-N 1 2 343.818 2.185 20 30 EEEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC000969462807 675058929 /nfs/dbraw/zinc/05/89/29/675058929.db2.gz HIRKYYHJVIDDLO-NSHDSACASA-N 1 2 343.818 2.185 20 30 EEEDLO C=C(Br)C[NH2+][C@@H]1CCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000969540864 675097618 /nfs/dbraw/zinc/09/76/18/675097618.db2.gz HANFPUYHXHGEMZ-LLVKDONJSA-N 1 2 349.232 2.276 20 30 EEEDLO C=C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1)c1ccccc1 ZINC000970775052 676141570 /nfs/dbraw/zinc/14/15/70/676141570.db2.gz NWCRWWDSACLQLL-HZPDHXFCSA-N 1 2 326.400 2.038 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ncnc3ccsc32)C1 ZINC000969813191 675222833 /nfs/dbraw/zinc/22/28/33/675222833.db2.gz LNNDNXJUAGZQFT-JTQLQIEISA-N 1 2 336.848 2.494 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2c(Cl)n[nH]c2CC)C1 ZINC000969820291 675225422 /nfs/dbraw/zinc/22/54/22/675225422.db2.gz IFUMCINJUZUJLK-VIFPVBQESA-N 1 2 331.247 2.428 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nc(COC)no3)C2)CC1 ZINC000969830137 675235482 /nfs/dbraw/zinc/23/54/82/675235482.db2.gz FECUODAYOWNUEJ-DZGCQCFKSA-N 1 2 348.447 2.214 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2[nH]ncc2C(F)(F)F)C1 ZINC000969826811 675236978 /nfs/dbraw/zinc/23/69/78/675236978.db2.gz XHTPJPLBQAHJEI-QMMMGPOBSA-N 1 2 336.745 2.231 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cn3c(n2)CC[C@H](C)C3)C1 ZINC000969959740 675341735 /nfs/dbraw/zinc/34/17/35/675341735.db2.gz WGMIXZXSDAEQFY-AAEUAGOBSA-N 1 2 336.867 2.268 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C3CCC4(CC4)CC3)CC2)C1 ZINC000949411895 676227781 /nfs/dbraw/zinc/22/77/81/676227781.db2.gz HMYLUESWIWAJTG-UHFFFAOYSA-N 1 2 330.472 2.283 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C3CCC4(CC4)CC3)CC2)C1 ZINC000949411895 676227782 /nfs/dbraw/zinc/22/77/82/676227782.db2.gz HMYLUESWIWAJTG-UHFFFAOYSA-N 1 2 330.472 2.283 20 30 EEEDLO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001067568786 676317750 /nfs/dbraw/zinc/31/77/50/676317750.db2.gz SHFPSGUCMIJJPA-INIZCTEOSA-N 1 2 346.475 2.109 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2coc(CC)n2)C1 ZINC000971384634 676512857 /nfs/dbraw/zinc/51/28/57/676512857.db2.gz COVSHTYAVJCHHO-NSHDSACASA-N 1 2 342.237 2.292 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2coc(CC)n2)C1 ZINC000971384634 676512858 /nfs/dbraw/zinc/51/28/58/676512858.db2.gz COVSHTYAVJCHHO-NSHDSACASA-N 1 2 342.237 2.292 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@H]([N@H+](C)Cc3nc(C)oc3C)C2)c1 ZINC000972285049 678495277 /nfs/dbraw/zinc/49/52/77/678495277.db2.gz OUQFKQZZLZMNLE-KRWDZBQOSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@H]([N@@H+](C)Cc3nc(C)oc3C)C2)c1 ZINC000972285049 678495278 /nfs/dbraw/zinc/49/52/78/678495278.db2.gz OUQFKQZZLZMNLE-KRWDZBQOSA-N 1 2 338.411 2.014 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H](C)c3ncc(C)o3)C2)c1 ZINC000972285840 678496128 /nfs/dbraw/zinc/49/61/28/678496128.db2.gz WWNHSIIKWBGTAI-WMLDXEAASA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H](C)c3ncc(C)o3)C2)c1 ZINC000972285840 678496131 /nfs/dbraw/zinc/49/61/31/678496131.db2.gz WWNHSIIKWBGTAI-WMLDXEAASA-N 1 2 338.411 2.267 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(F)c3C)C2)C1 ZINC000972395432 678677880 /nfs/dbraw/zinc/67/78/80/678677880.db2.gz FDIJOGZMMRJVEV-IBGZPJMESA-N 1 2 330.403 2.074 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(F)c3C)C2)C1 ZINC000972395432 678677882 /nfs/dbraw/zinc/67/78/82/678677882.db2.gz FDIJOGZMMRJVEV-IBGZPJMESA-N 1 2 330.403 2.074 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)oc(C)c3C)C2)C1 ZINC000972459284 678786478 /nfs/dbraw/zinc/78/64/78/678786478.db2.gz SKQPOLSBTBSXDQ-LJQANCHMSA-N 1 2 330.428 2.145 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)oc(C)c3C)C2)C1 ZINC000972459284 678786480 /nfs/dbraw/zinc/78/64/80/678786480.db2.gz SKQPOLSBTBSXDQ-LJQANCHMSA-N 1 2 330.428 2.145 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCCC3(F)F)C2)C1 ZINC000972519752 679145714 /nfs/dbraw/zinc/14/57/14/679145714.db2.gz YQGMNAATUNFPOY-NVXWUHKLSA-N 1 2 340.414 2.139 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCCC3(F)F)C2)C1 ZINC000972519752 679145717 /nfs/dbraw/zinc/14/57/17/679145717.db2.gz YQGMNAATUNFPOY-NVXWUHKLSA-N 1 2 340.414 2.139 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(F)ccc(F)c3F)C2)C1 ZINC000972528485 679180495 /nfs/dbraw/zinc/18/04/95/679180495.db2.gz OIFDQZPIYHLFBX-QGZVFWFLSA-N 1 2 340.345 2.207 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(F)ccc(F)c3F)C2)C1 ZINC000972528485 679180497 /nfs/dbraw/zinc/18/04/97/679180497.db2.gz OIFDQZPIYHLFBX-QGZVFWFLSA-N 1 2 340.345 2.207 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4ccccc4C3)C2)C1 ZINC000972568924 679318064 /nfs/dbraw/zinc/31/80/64/679318064.db2.gz DWDFDDBDYREOKV-PZJWPPBQSA-N 1 2 340.467 2.281 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4ccccc4C3)C2)C1 ZINC000972568924 679318067 /nfs/dbraw/zinc/31/80/67/679318067.db2.gz DWDFDDBDYREOKV-PZJWPPBQSA-N 1 2 340.467 2.281 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccccc3C)C2)C1 ZINC000972572771 679331103 /nfs/dbraw/zinc/33/11/03/679331103.db2.gz SNYSTMITOBTBCQ-NRFANRHFSA-N 1 2 340.467 2.254 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccccc3C)C2)C1 ZINC000972572771 679331105 /nfs/dbraw/zinc/33/11/05/679331105.db2.gz SNYSTMITOBTBCQ-NRFANRHFSA-N 1 2 340.467 2.254 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3sc(C)cc3OC)C2)C1 ZINC000972581891 679348058 /nfs/dbraw/zinc/34/80/58/679348058.db2.gz FNRNXYHOTQXSST-GOSISDBHSA-N 1 2 348.468 2.005 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3sc(C)cc3OC)C2)C1 ZINC000972581891 679348062 /nfs/dbraw/zinc/34/80/62/679348062.db2.gz FNRNXYHOTQXSST-GOSISDBHSA-N 1 2 348.468 2.005 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3oc(C(C)C)nc3C)C2)C1 ZINC000972593143 679382675 /nfs/dbraw/zinc/38/26/75/679382675.db2.gz MPMKECIHRFLDFT-LJQANCHMSA-N 1 2 345.443 2.047 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3oc(C(C)C)nc3C)C2)C1 ZINC000972593143 679382676 /nfs/dbraw/zinc/38/26/76/679382676.db2.gz MPMKECIHRFLDFT-LJQANCHMSA-N 1 2 345.443 2.047 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCc4ccccc43)C2)C1 ZINC000972600869 679406758 /nfs/dbraw/zinc/40/67/58/679406758.db2.gz DCBHIWWHIKCRHI-GHTZIAJQSA-N 1 2 338.451 2.043 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCc4ccccc43)C2)C1 ZINC000972600869 679406759 /nfs/dbraw/zinc/40/67/59/679406759.db2.gz DCBHIWWHIKCRHI-GHTZIAJQSA-N 1 2 338.451 2.043 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)COc3cc(C)cc(C)c3)C2)C1 ZINC000972676223 679586612 /nfs/dbraw/zinc/58/66/12/679586612.db2.gz FWGYBOCBFKOOJM-HXUWFJFHSA-N 1 2 344.455 2.172 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)COc3cc(C)cc(C)c3)C2)C1 ZINC000972676223 679586616 /nfs/dbraw/zinc/58/66/16/679586616.db2.gz FWGYBOCBFKOOJM-HXUWFJFHSA-N 1 2 344.455 2.172 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCC(C)=C(C)C3)C2)C1 ZINC000972697399 679625281 /nfs/dbraw/zinc/62/52/81/679625281.db2.gz WKPOPPUZDDTXIZ-VQTJNVASSA-N 1 2 330.472 2.450 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCC(C)=C(C)C3)C2)C1 ZINC000972697399 679625282 /nfs/dbraw/zinc/62/52/82/679625282.db2.gz WKPOPPUZDDTXIZ-VQTJNVASSA-N 1 2 330.472 2.450 20 30 EEEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@@H]1CCCO1 ZINC000972783449 679776262 /nfs/dbraw/zinc/77/62/62/679776262.db2.gz PTILUDNDPWOAKM-DLBZAZTESA-N 1 2 345.418 2.203 20 30 EEEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@@H]1CCCO1 ZINC000972783449 679776263 /nfs/dbraw/zinc/77/62/63/679776263.db2.gz PTILUDNDPWOAKM-DLBZAZTESA-N 1 2 345.418 2.203 20 30 EEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)c1cnsn1 ZINC000972833468 679813616 /nfs/dbraw/zinc/81/36/16/679813616.db2.gz XPIYZVGIWBJFDL-ZDUSSCGKSA-N 1 2 347.469 2.112 20 30 EEEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)c1cnsn1 ZINC000972833468 679813617 /nfs/dbraw/zinc/81/36/17/679813617.db2.gz XPIYZVGIWBJFDL-ZDUSSCGKSA-N 1 2 347.469 2.112 20 30 EEEDLO Cc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1C ZINC001028452941 681453465 /nfs/dbraw/zinc/45/34/65/681453465.db2.gz SLSSDZYPNNZVSZ-OAHLLOKOSA-N 1 2 337.427 2.150 20 30 EEEDLO Cc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1C ZINC001028452941 681453468 /nfs/dbraw/zinc/45/34/68/681453468.db2.gz SLSSDZYPNNZVSZ-OAHLLOKOSA-N 1 2 337.427 2.150 20 30 EEEDLO CC1(C)C[N@H+](Cc2cncc(F)c2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973053414 681948149 /nfs/dbraw/zinc/94/81/49/681948149.db2.gz ZRZDHYDMMLAXPV-INIZCTEOSA-N 1 2 341.390 2.061 20 30 EEEDLO CC1(C)C[N@@H+](Cc2cncc(F)c2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000973053414 681948154 /nfs/dbraw/zinc/94/81/54/681948154.db2.gz ZRZDHYDMMLAXPV-INIZCTEOSA-N 1 2 341.390 2.061 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc2[nH]nnc2c1 ZINC001025293575 682403468 /nfs/dbraw/zinc/40/34/68/682403468.db2.gz DQPUHIKKEMVGGB-QZTJIDSGSA-N 1 2 337.427 2.050 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccc2[nH]nnc2c1 ZINC001025293575 682403469 /nfs/dbraw/zinc/40/34/69/682403469.db2.gz DQPUHIKKEMVGGB-QZTJIDSGSA-N 1 2 337.427 2.050 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C/C(Cl)=C\Cl)C2)nc1 ZINC001028936142 682512359 /nfs/dbraw/zinc/51/23/59/682512359.db2.gz PSSLYFRWQNWVHC-PZMUVPOTSA-N 1 2 338.238 2.434 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C/C(Cl)=C\Cl)C2)nc1 ZINC001028936142 682512362 /nfs/dbraw/zinc/51/23/62/682512362.db2.gz PSSLYFRWQNWVHC-PZMUVPOTSA-N 1 2 338.238 2.434 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000973758690 683425433 /nfs/dbraw/zinc/42/54/33/683425433.db2.gz QIJPMJHVYVMTEQ-CABCVRRESA-N 1 2 344.459 2.004 20 30 EEEDLO O=C(c1ccc[nH]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(F)cc1 ZINC001029210784 683545346 /nfs/dbraw/zinc/54/53/46/683545346.db2.gz WLAREZRVJFJSPC-HDICACEKSA-N 1 2 337.398 2.494 20 30 EEEDLO O=C(c1ccc[nH]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001029210784 683545352 /nfs/dbraw/zinc/54/53/52/683545352.db2.gz WLAREZRVJFJSPC-HDICACEKSA-N 1 2 337.398 2.494 20 30 EEEDLO Cc1cc(N(C)C[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)nc(C2CC2)[nH+]1 ZINC001058676175 683714455 /nfs/dbraw/zinc/71/44/55/683714455.db2.gz JFODSPQNFBPKSZ-UKRRQHHQSA-N 1 2 341.459 2.497 20 30 EEEDLO Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)c(C)s1 ZINC001007144664 683954190 /nfs/dbraw/zinc/95/41/90/683954190.db2.gz STPLOTJHQKIOHY-CQSZACIVSA-N 1 2 343.456 2.354 20 30 EEEDLO Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)c(C)s1 ZINC001007144664 683954193 /nfs/dbraw/zinc/95/41/93/683954193.db2.gz STPLOTJHQKIOHY-CQSZACIVSA-N 1 2 343.456 2.354 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cncs1 ZINC001029312075 683965388 /nfs/dbraw/zinc/96/53/88/683965388.db2.gz PGLCVTDVBSRKJV-WTTBNOFXSA-N 1 2 347.484 2.300 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cncs1 ZINC001029312075 683965390 /nfs/dbraw/zinc/96/53/90/683965390.db2.gz PGLCVTDVBSRKJV-WTTBNOFXSA-N 1 2 347.484 2.300 20 30 EEEDLO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895164241 684165512 /nfs/dbraw/zinc/16/55/12/684165512.db2.gz ANLITYWFHOWTIN-OAHLLOKOSA-N 1 2 348.834 2.363 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ncnn3C)[C@@H](C)C2)CC1 ZINC000947690058 684788559 /nfs/dbraw/zinc/78/85/59/684788559.db2.gz PYOPVNDQKNYJLT-HOCLYGCPSA-N 1 2 331.464 2.031 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ncnn3C)[C@@H](C)C2)CC1 ZINC000947690058 684788561 /nfs/dbraw/zinc/78/85/61/684788561.db2.gz PYOPVNDQKNYJLT-HOCLYGCPSA-N 1 2 331.464 2.031 20 30 EEEDLO C[C@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029527489 685698349 /nfs/dbraw/zinc/69/83/49/685698349.db2.gz KGODYEPEYMKAMX-LMCOJAPRSA-N 1 2 338.451 2.138 20 30 EEEDLO C[C@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029527489 685698351 /nfs/dbraw/zinc/69/83/51/685698351.db2.gz KGODYEPEYMKAMX-LMCOJAPRSA-N 1 2 338.451 2.138 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)c(C)o1 ZINC001027372905 687749262 /nfs/dbraw/zinc/74/92/62/687749262.db2.gz ATAFPCYLXMZJKJ-MRXNPFEDSA-N 1 2 341.415 2.228 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)c(C)o1 ZINC001027372905 687749268 /nfs/dbraw/zinc/74/92/68/687749268.db2.gz ATAFPCYLXMZJKJ-MRXNPFEDSA-N 1 2 341.415 2.228 20 30 EEEDLO C[C@H](C#N)C[NH2+]Cc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000893544911 694153939 /nfs/dbraw/zinc/15/39/39/694153939.db2.gz PGSSOFWVXJVMMV-ZIAGYGMSSA-N 1 2 348.451 2.099 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cn(C)nn2)C1 ZINC001027424570 688070958 /nfs/dbraw/zinc/07/09/58/688070958.db2.gz AYNQJAHDOZCZBE-CQSZACIVSA-N 1 2 339.871 2.017 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2cn(C)nn2)C1 ZINC001027424570 688070962 /nfs/dbraw/zinc/07/09/62/688070962.db2.gz AYNQJAHDOZCZBE-CQSZACIVSA-N 1 2 339.871 2.017 20 30 EEEDLO C=C(C)CCC(=O)NCC[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001059717723 688584271 /nfs/dbraw/zinc/58/42/71/688584271.db2.gz FYDJFLYXYFULPF-HOTGVXAUSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C(C)CCC(=O)NCC[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001059717723 688584275 /nfs/dbraw/zinc/58/42/75/688584275.db2.gz FYDJFLYXYFULPF-HOTGVXAUSA-N 1 2 346.475 2.299 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000987143569 689416805 /nfs/dbraw/zinc/41/68/05/689416805.db2.gz AWVPJWSNQTYLEJ-QFBILLFUSA-N 1 2 346.475 2.373 20 30 EEEDLO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000904661314 694448339 /nfs/dbraw/zinc/44/83/39/694448339.db2.gz XIAAVGIPKWDGTJ-OAHLLOKOSA-N 1 2 342.447 2.240 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@@H]([NH2+]Cc3nc(CC)no3)C[C@H]2C)CC1 ZINC000989398051 691670441 /nfs/dbraw/zinc/67/04/41/691670441.db2.gz DXGCABRPQNAABQ-HIFRSBDPSA-N 1 2 332.448 2.457 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@@H]([NH2+]Cc3nc(CC)no3)C[C@@H]2C)CC1 ZINC000989398053 691670531 /nfs/dbraw/zinc/67/05/31/691670531.db2.gz DXGCABRPQNAABQ-ZFWWWQNUSA-N 1 2 332.448 2.457 20 30 EEEDLO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)[C@H]1CCOC1 ZINC001027783634 694484873 /nfs/dbraw/zinc/48/48/73/694484873.db2.gz FZJCOGQNLZXQTB-DLBZAZTESA-N 1 2 346.858 2.309 20 30 EEEDLO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)[C@H]1CCOC1 ZINC001027783634 694484877 /nfs/dbraw/zinc/48/48/77/694484877.db2.gz FZJCOGQNLZXQTB-DLBZAZTESA-N 1 2 346.858 2.309 20 30 EEEDLO Cc1nc(NC[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)c2c([nH+]1)CCCC2 ZINC001060002588 692500421 /nfs/dbraw/zinc/50/04/21/692500421.db2.gz AWRLQUWXWYGLOT-HIFRSBDPSA-N 1 2 341.459 2.474 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@@H]23)co1 ZINC000990159135 692704774 /nfs/dbraw/zinc/70/47/74/692704774.db2.gz BQTCRGKPBGWHQI-AEFFLSMTSA-N 1 2 339.399 2.110 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@@H]23)co1 ZINC000990159135 692704779 /nfs/dbraw/zinc/70/47/79/692704779.db2.gz BQTCRGKPBGWHQI-AEFFLSMTSA-N 1 2 339.399 2.110 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ncc(CC)o2)C1 ZINC001027584713 693274669 /nfs/dbraw/zinc/27/46/69/693274669.db2.gz QTDWECQVELPDMP-OIISXLGYSA-N 1 2 347.459 2.251 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ncc(CC)o2)C1 ZINC001027584713 693274673 /nfs/dbraw/zinc/27/46/73/693274673.db2.gz QTDWECQVELPDMP-OIISXLGYSA-N 1 2 347.459 2.251 20 30 EEEDLO Cc1cc(C)c(C(=O)N[C@H]2CCCCN(C(=O)[C@H](C)C#N)C2)c(C)[nH+]1 ZINC000943430422 1192265417 /nfs/dbraw/zinc/26/54/17/1192265417.db2.gz PQFPDDYLHVYXSU-CJNGLKHVSA-N 1 2 342.443 2.277 20 30 EEEDLO Cc1cnoc1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001032098634 1192472583 /nfs/dbraw/zinc/47/25/83/1192472583.db2.gz WMQBWOVSWAQNJC-UHFFFAOYSA-N 1 2 343.814 2.350 20 30 EEEDLO Cc1cc(C[NH2+][C@@H](CNC(=O)c2cc(C#N)c[nH]2)c2ccccc2)on1 ZINC001267357904 1178820257 /nfs/dbraw/zinc/82/02/57/1178820257.db2.gz UCPAQBPGEWOXPY-SFHVURJKSA-N 1 2 349.394 2.444 20 30 EEEDLO C=CCN1CC[C@@]2(CCCN2C(=O)CCc2ccc(C)[nH+]c2C)C1=O ZINC001269506217 1184327644 /nfs/dbraw/zinc/32/76/44/1184327644.db2.gz FYAWCWIEYGETNF-FQEVSTJZSA-N 1 2 341.455 2.411 20 30 EEEDLO N#Cc1cccc(C[NH2+]C2(CNC(=O)c3cccc4nc[nH]c43)CC2)c1 ZINC001269509143 1184337443 /nfs/dbraw/zinc/33/74/43/1184337443.db2.gz VIYYAMHGOYAOGX-UHFFFAOYSA-N 1 2 345.406 2.487 20 30 EEEDLO Cc1ccoc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)n(C)c1 ZINC001269540386 1184369786 /nfs/dbraw/zinc/36/97/86/1184369786.db2.gz ZQUKGRPNCKSCJF-IYBDPMFKSA-N 1 2 338.411 2.287 20 30 EEEDLO Cc1ccoc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)n(C)c1 ZINC001269540386 1184369794 /nfs/dbraw/zinc/36/97/94/1184369794.db2.gz ZQUKGRPNCKSCJF-IYBDPMFKSA-N 1 2 338.411 2.287 20 30 EEEDLO N#CCCC(=O)NC12CC(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)(C1)C2 ZINC001270055533 1184816426 /nfs/dbraw/zinc/81/64/26/1184816426.db2.gz FVQWYUHIQNNBOE-UHFFFAOYSA-N 1 2 349.394 2.153 20 30 EEEDLO C=C1CC(C(=O)N2CC3(C[C@H]3C(=O)Nc3cccc4[nH+]ccn43)C2)C1 ZINC001271455214 1186248290 /nfs/dbraw/zinc/24/82/90/1186248290.db2.gz IUMJIYBQDPKYTN-AWEZNQCLSA-N 1 2 336.395 2.088 20 30 EEEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC=CCC2)cc1C#N ZINC001271531143 1186286971 /nfs/dbraw/zinc/28/69/71/1186286971.db2.gz UKHUOPJASNSXKR-OKZBNKHCSA-N 1 2 338.455 2.428 20 30 EEEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC=CCC2)cc1C#N ZINC001271531143 1186286975 /nfs/dbraw/zinc/28/69/75/1186286975.db2.gz UKHUOPJASNSXKR-OKZBNKHCSA-N 1 2 338.455 2.428 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)[nH]1 ZINC001088495181 1187044331 /nfs/dbraw/zinc/04/43/31/1187044331.db2.gz FOSYNZKMILZBNF-BZNIZROVSA-N 1 2 341.390 2.122 20 30 EEEDLO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)[C@@H]2C)[nH]1 ZINC001088495181 1187044334 /nfs/dbraw/zinc/04/43/34/1187044334.db2.gz FOSYNZKMILZBNF-BZNIZROVSA-N 1 2 341.390 2.122 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3=CCCCCC3)[C@@H](O)C2)s1 ZINC001083427949 1187160804 /nfs/dbraw/zinc/16/08/04/1187160804.db2.gz CQGWXVIWUCLKKS-SJORKVTESA-N 1 2 345.468 2.172 20 30 EEEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C3=CCCCCC3)[C@@H](O)C2)s1 ZINC001083427949 1187160805 /nfs/dbraw/zinc/16/08/05/1187160805.db2.gz CQGWXVIWUCLKKS-SJORKVTESA-N 1 2 345.468 2.172 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)[C@@H]2C)c(C)nn1 ZINC001088592372 1187559907 /nfs/dbraw/zinc/55/99/07/1187559907.db2.gz BWDFJPYOKMCNOI-BEFAXECRSA-N 1 2 349.438 2.358 20 30 EEEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)c(C)nn1 ZINC001088592372 1187559909 /nfs/dbraw/zinc/55/99/09/1187559909.db2.gz BWDFJPYOKMCNOI-BEFAXECRSA-N 1 2 349.438 2.358 20 30 EEEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)c(O)c(F)c1)CC2 ZINC001272784591 1193496978 /nfs/dbraw/zinc/49/69/78/1193496978.db2.gz WHLGUNAQFQXULV-CYBMUJFWSA-N 1 2 334.366 2.022 20 30 EEEDLO COCCOC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CC1(C#N)CCCCC1 ZINC001272130541 1187941787 /nfs/dbraw/zinc/94/17/87/1187941787.db2.gz HFXAQUPHOBGWLF-IRXDYDNUSA-N 1 2 349.475 2.146 20 30 EEEDLO COCCOC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CC1(C#N)CCCCC1 ZINC001272130541 1187941791 /nfs/dbraw/zinc/94/17/91/1187941791.db2.gz HFXAQUPHOBGWLF-IRXDYDNUSA-N 1 2 349.475 2.146 20 30 EEEDLO O=C(C=NOCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccccc1Cl ZINC000842019845 1188233046 /nfs/dbraw/zinc/23/30/46/1188233046.db2.gz AQMMHDRATZJMQG-BETUJISGSA-N 1 2 337.807 2.144 20 30 EEEDLO O=C(C=NOCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccccc1Cl ZINC000842019845 1188233049 /nfs/dbraw/zinc/23/30/49/1188233049.db2.gz AQMMHDRATZJMQG-BETUJISGSA-N 1 2 337.807 2.144 20 30 EEEDLO CC(C)C#CC(=O)NCC[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC001126822477 1188460372 /nfs/dbraw/zinc/46/03/72/1188460372.db2.gz CISYJYVLXJZHOL-OAHLLOKOSA-N 1 2 340.427 2.087 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4ncccn4)C[C@H]32)CC1 ZINC001076208756 1188782424 /nfs/dbraw/zinc/78/24/24/1188782424.db2.gz JRVONFQQBPDEOO-DLBZAZTESA-N 1 2 326.444 2.256 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4ncccn4)C[C@H]32)CC1 ZINC001076208756 1188782429 /nfs/dbraw/zinc/78/24/29/1188782429.db2.gz JRVONFQQBPDEOO-DLBZAZTESA-N 1 2 326.444 2.256 20 30 EEEDLO C#CCCCCC(=O)N[C@@H](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001076546301 1188987709 /nfs/dbraw/zinc/98/77/09/1188987709.db2.gz XNFHNBSTNVTLMM-HOTGVXAUSA-N 1 2 332.448 2.039 20 30 EEEDLO C=CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001076712026 1189122057 /nfs/dbraw/zinc/12/20/57/1189122057.db2.gz RRQRKZLUKNYYRC-GJZGRUSLSA-N 1 2 346.475 2.346 20 30 EEEDLO C=CCC1(C(=O)N[C@@H](C)CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001076712026 1189122060 /nfs/dbraw/zinc/12/20/60/1189122060.db2.gz RRQRKZLUKNYYRC-GJZGRUSLSA-N 1 2 346.475 2.346 20 30 EEEDLO N#Cc1ccc(NC[C@@H]2CCC[C@@H]2NC(=O)CCc2c[nH]c[nH+]2)nc1 ZINC001105693451 1189561740 /nfs/dbraw/zinc/56/17/40/1189561740.db2.gz GBLRIESASQPXLW-HOCLYGCPSA-N 1 2 338.415 2.006 20 30 EEEDLO N#Cc1ccc(NC[C@@H]2CCC[C@@H]2NC(=O)CCc2c[nH+]c[nH]2)nc1 ZINC001105693451 1189561743 /nfs/dbraw/zinc/56/17/43/1189561743.db2.gz GBLRIESASQPXLW-HOCLYGCPSA-N 1 2 338.415 2.006 20 30 EEEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@]23CCN(C2COC2)C3=O)c1 ZINC001272622057 1190936205 /nfs/dbraw/zinc/93/62/05/1190936205.db2.gz ZUOSAYSJGBCAJD-SFHVURJKSA-N 1 2 345.830 2.177 20 30 EEEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCC[C@@]23CCN(C2COC2)C3=O)c1 ZINC001272622057 1190936208 /nfs/dbraw/zinc/93/62/08/1190936208.db2.gz ZUOSAYSJGBCAJD-SFHVURJKSA-N 1 2 345.830 2.177 20 30 EEEDLO Cc1nc(C[NH2+]Cc2ccc(CNC(=O)[C@H](C)C#N)c(F)c2)oc1C ZINC001486523214 1194046474 /nfs/dbraw/zinc/04/64/74/1194046474.db2.gz QVUBUAAUQHASHF-LLVKDONJSA-N 1 2 344.390 2.496 20 30 EEEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(C)cnc1Cl)C2 ZINC001272973748 1194282780 /nfs/dbraw/zinc/28/27/80/1194282780.db2.gz IDAWAILOFABGOR-GOSISDBHSA-N 1 2 349.862 2.280 20 30 EEEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(C)cnc1Cl)C2 ZINC001272973748 1194282786 /nfs/dbraw/zinc/28/27/86/1194282786.db2.gz IDAWAILOFABGOR-GOSISDBHSA-N 1 2 349.862 2.280 20 30 EEEDLO C=CCN1C[C@@]2(F)C[N@@H+](Cc3cccc4c3ccn4C)C[C@@]2(F)C1=O ZINC001273007298 1194314172 /nfs/dbraw/zinc/31/41/72/1194314172.db2.gz ATZBEEYEEWOUOQ-RBUKOAKNSA-N 1 2 345.393 2.439 20 30 EEEDLO C=CCN1C[C@@]2(F)C[N@H+](Cc3cccc4c3ccn4C)C[C@@]2(F)C1=O ZINC001273007298 1194314175 /nfs/dbraw/zinc/31/41/75/1194314175.db2.gz ATZBEEYEEWOUOQ-RBUKOAKNSA-N 1 2 345.393 2.439 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001078939914 1194419810 /nfs/dbraw/zinc/41/98/10/1194419810.db2.gz XAFUCAXUBWGWNP-HNNXBMFYSA-N 1 2 346.475 2.394 20 30 EEEDLO Cc1nocc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033378606 1194505024 /nfs/dbraw/zinc/50/50/24/1194505024.db2.gz MHTFZDGOZBYMRO-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO Cc1nocc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033378606 1194505027 /nfs/dbraw/zinc/50/50/27/1194505027.db2.gz MHTFZDGOZBYMRO-HNNXBMFYSA-N 1 2 342.374 2.340 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)CC2=CCOCC2)C1 ZINC001033384941 1194518235 /nfs/dbraw/zinc/51/82/35/1194518235.db2.gz ZYUCUAQTJBCZLO-CQSZACIVSA-N 1 2 343.265 2.165 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)CC2=CCOCC2)C1 ZINC001033384941 1194518238 /nfs/dbraw/zinc/51/82/38/1194518238.db2.gz ZYUCUAQTJBCZLO-CQSZACIVSA-N 1 2 343.265 2.165 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3cncn3)c2)C1 ZINC001033406341 1194550458 /nfs/dbraw/zinc/55/04/58/1194550458.db2.gz VMUBJQWEWIMAAZ-INIZCTEOSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3cncn3)c2)C1 ZINC001033406341 1194550460 /nfs/dbraw/zinc/55/04/60/1194550460.db2.gz VMUBJQWEWIMAAZ-INIZCTEOSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001033496782 1194647911 /nfs/dbraw/zinc/64/79/11/1194647911.db2.gz NOYRIBRXTWRASL-BZSNNMDCSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001033496782 1194647915 /nfs/dbraw/zinc/64/79/15/1194647915.db2.gz NOYRIBRXTWRASL-BZSNNMDCSA-N 1 2 347.459 2.387 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(NC(N)=O)cc2)C1 ZINC001033635231 1194982432 /nfs/dbraw/zinc/98/24/32/1194982432.db2.gz GQBXXUFFKHVQTP-AWEZNQCLSA-N 1 2 336.823 2.076 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(NC(N)=O)cc2)C1 ZINC001033635231 1194982435 /nfs/dbraw/zinc/98/24/35/1194982435.db2.gz GQBXXUFFKHVQTP-AWEZNQCLSA-N 1 2 336.823 2.076 20 30 EEEDLO CCN(C(=O)c1cncnc1C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033757197 1195211718 /nfs/dbraw/zinc/21/17/18/1195211718.db2.gz SYHNMJJIVGKAOU-GOSISDBHSA-N 1 2 349.438 2.393 20 30 EEEDLO CCN(C(=O)c1cncnc1C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033757197 1195211721 /nfs/dbraw/zinc/21/17/21/1195211721.db2.gz SYHNMJJIVGKAOU-GOSISDBHSA-N 1 2 349.438 2.393 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCCO2)C1 ZINC001033792256 1195277960 /nfs/dbraw/zinc/27/79/60/1195277960.db2.gz OMEUYEYLWNJQGG-KBPBESRZSA-N 1 2 345.281 2.387 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCCO2)C1 ZINC001033792256 1195277963 /nfs/dbraw/zinc/27/79/63/1195277963.db2.gz OMEUYEYLWNJQGG-KBPBESRZSA-N 1 2 345.281 2.387 20 30 EEEDLO C=CCn1cccc1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001033853401 1195390239 /nfs/dbraw/zinc/39/02/39/1195390239.db2.gz ALUMOWTWPDBRQV-QGZVFWFLSA-N 1 2 341.459 2.144 20 30 EEEDLO C=CCn1cccc1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001033853401 1195390245 /nfs/dbraw/zinc/39/02/45/1195390245.db2.gz ALUMOWTWPDBRQV-QGZVFWFLSA-N 1 2 341.459 2.144 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(-n2cccn2)c1 ZINC001018064693 1224279438 /nfs/dbraw/zinc/27/94/38/1224279438.db2.gz JGWKYEPOARXJDR-KDURUIRLSA-N 1 2 334.423 2.184 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(-n2cccn2)c1 ZINC001018064693 1224279443 /nfs/dbraw/zinc/27/94/43/1224279443.db2.gz JGWKYEPOARXJDR-KDURUIRLSA-N 1 2 334.423 2.184 20 30 EEEDLO CCN(C(=O)c1cnco1)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033908719 1195481907 /nfs/dbraw/zinc/48/19/07/1195481907.db2.gz YUVCKUCQFJCOSA-OAHLLOKOSA-N 1 2 342.374 2.422 20 30 EEEDLO CCN(C(=O)c1cnco1)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033908719 1195481910 /nfs/dbraw/zinc/48/19/10/1195481910.db2.gz YUVCKUCQFJCOSA-OAHLLOKOSA-N 1 2 342.374 2.422 20 30 EEEDLO C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001033921841 1195504217 /nfs/dbraw/zinc/50/42/17/1195504217.db2.gz FFBKHIKETGQCKT-QGZVFWFLSA-N 1 2 337.427 2.031 20 30 EEEDLO C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC001033921841 1195504218 /nfs/dbraw/zinc/50/42/18/1195504218.db2.gz FFBKHIKETGQCKT-QGZVFWFLSA-N 1 2 337.427 2.031 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C(N)=O)cc2)C1 ZINC001034036607 1195667651 /nfs/dbraw/zinc/66/76/51/1195667651.db2.gz DUJVRJYLUFDQNE-OAHLLOKOSA-N 1 2 335.835 2.074 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C(N)=O)cc2)C1 ZINC001034036607 1195667653 /nfs/dbraw/zinc/66/76/53/1195667653.db2.gz DUJVRJYLUFDQNE-OAHLLOKOSA-N 1 2 335.835 2.074 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001034046287 1195697698 /nfs/dbraw/zinc/69/76/98/1195697698.db2.gz ROYBDIBWIZXBKR-HIFRSBDPSA-N 1 2 336.867 2.190 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001034046287 1195697700 /nfs/dbraw/zinc/69/77/00/1195697700.db2.gz ROYBDIBWIZXBKR-HIFRSBDPSA-N 1 2 336.867 2.190 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001034126189 1195780475 /nfs/dbraw/zinc/78/04/75/1195780475.db2.gz UYRLMHULEIMNRJ-ZIAGYGMSSA-N 1 2 345.281 2.292 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001034126189 1195780476 /nfs/dbraw/zinc/78/04/76/1195780476.db2.gz UYRLMHULEIMNRJ-ZIAGYGMSSA-N 1 2 345.281 2.292 20 30 EEEDLO Cc1nc(C[N@@H+]2CCCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC001034165374 1195883332 /nfs/dbraw/zinc/88/33/32/1195883332.db2.gz MNOZFPSDVBQBOT-CQSZACIVSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1nc(C[N@H+]2CCCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC001034165374 1195883334 /nfs/dbraw/zinc/88/33/34/1195883334.db2.gz MNOZFPSDVBQBOT-CQSZACIVSA-N 1 2 343.456 2.436 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCCC[N@@H+](Cc2nonc2C)C1 ZINC001034248230 1195981359 /nfs/dbraw/zinc/98/13/59/1195981359.db2.gz XGSABHWGHYCULZ-OAHLLOKOSA-N 1 2 343.431 2.150 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CCCC[N@H+](Cc2nonc2C)C1 ZINC001034248230 1195981362 /nfs/dbraw/zinc/98/13/62/1195981362.db2.gz XGSABHWGHYCULZ-OAHLLOKOSA-N 1 2 343.431 2.150 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001034536459 1196356162 /nfs/dbraw/zinc/35/61/62/1196356162.db2.gz BMMZHHGXKGTCES-AWEZNQCLSA-N 1 2 340.265 2.437 20 30 EEEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001034536459 1196356165 /nfs/dbraw/zinc/35/61/65/1196356165.db2.gz BMMZHHGXKGTCES-AWEZNQCLSA-N 1 2 340.265 2.437 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001078970573 1196440922 /nfs/dbraw/zinc/44/09/22/1196440922.db2.gz XFJVJXYFYARQKT-MRXNPFEDSA-N 1 2 346.475 2.325 20 30 EEEDLO N#Cc1ccc(N2CC[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)nc1 ZINC001061773555 1196524535 /nfs/dbraw/zinc/52/45/35/1196524535.db2.gz GCFLHQMOLAWXOL-AWEZNQCLSA-N 1 2 346.394 2.086 20 30 EEEDLO C=C(Br)C[NH2+][C@H]1CC[C@H](NC(=O)c2[nH]ncc2F)CC1 ZINC001034732070 1196630168 /nfs/dbraw/zinc/63/01/68/1196630168.db2.gz DQMCTBAQZZVNAE-MGCOHNPYSA-N 1 2 345.216 2.088 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cnccc1Cl)C2 ZINC001273171124 1197298597 /nfs/dbraw/zinc/29/85/97/1197298597.db2.gz CTMLKAHGMJVIDR-SFHVURJKSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cnccc1Cl)C2 ZINC001273171124 1197298600 /nfs/dbraw/zinc/29/86/00/1197298600.db2.gz CTMLKAHGMJVIDR-SFHVURJKSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccnc1Cl)C2 ZINC001273192820 1197448122 /nfs/dbraw/zinc/44/81/22/1197448122.db2.gz HOJFQULFBGOLPE-SFHVURJKSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccnc1Cl)C2 ZINC001273192820 1197448123 /nfs/dbraw/zinc/44/81/23/1197448123.db2.gz HOJFQULFBGOLPE-SFHVURJKSA-N 1 2 349.862 2.362 20 30 EEEDLO C#CC[C@H](CCOC)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000863790429 1197873596 /nfs/dbraw/zinc/87/35/96/1197873596.db2.gz HZBZUTAMJDLBJW-OAHLLOKOSA-N 1 2 345.468 2.421 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C)CC1 ZINC001011703791 1224533714 /nfs/dbraw/zinc/53/37/14/1224533714.db2.gz GWDURBVONBSVSO-GDBMZVCRSA-N 1 2 344.459 2.194 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccn(C(C)C)c2C)[C@H](O)C1 ZINC001090515244 1199206699 /nfs/dbraw/zinc/20/66/99/1199206699.db2.gz SHNSDXZACKLTJK-HZPDHXFCSA-N 1 2 339.867 2.295 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(C(C)C)c2C)[C@H](O)C1 ZINC001090515244 1199206701 /nfs/dbraw/zinc/20/67/01/1199206701.db2.gz SHNSDXZACKLTJK-HZPDHXFCSA-N 1 2 339.867 2.295 20 30 EEEDLO COc1cc(C[N@@H+]2C[C@H](NC(=O)C#CC(C)C)CC[C@@H]2C)sn1 ZINC001132018966 1199215094 /nfs/dbraw/zinc/21/50/94/1199215094.db2.gz ZZDXWAWDLVBWFO-UONOGXRCSA-N 1 2 335.473 2.280 20 30 EEEDLO COc1cc(C[N@H+]2C[C@H](NC(=O)C#CC(C)C)CC[C@@H]2C)sn1 ZINC001132018966 1199215095 /nfs/dbraw/zinc/21/50/95/1199215095.db2.gz ZZDXWAWDLVBWFO-UONOGXRCSA-N 1 2 335.473 2.280 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)COc2cc(C)on2)CC[C@@H]1C ZINC001132113639 1199325795 /nfs/dbraw/zinc/32/57/95/1199325795.db2.gz DPSYCXBBZXPOFN-AAEUAGOBSA-N 1 2 327.812 2.083 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)COc2cc(C)on2)CC[C@@H]1C ZINC001132113639 1199325802 /nfs/dbraw/zinc/32/58/02/1199325802.db2.gz DPSYCXBBZXPOFN-AAEUAGOBSA-N 1 2 327.812 2.083 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCCc2c[nH]nn2)CC[C@H]1C ZINC001132210100 1199433863 /nfs/dbraw/zinc/43/38/63/1199433863.db2.gz BZMHOJBMFNHMBI-UKRRQHHQSA-N 1 2 339.871 2.239 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCCc2c[nH]nn2)CC[C@H]1C ZINC001132210100 1199433870 /nfs/dbraw/zinc/43/38/70/1199433870.db2.gz BZMHOJBMFNHMBI-UKRRQHHQSA-N 1 2 339.871 2.239 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)NCC(C)(C)C)C2)C1 ZINC001132273759 1199521813 /nfs/dbraw/zinc/52/18/13/1199521813.db2.gz JJUGBXCXRPORLP-HOTGVXAUSA-N 1 2 349.519 2.474 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)NCC(C)(C)C)C2)C1 ZINC001132273759 1199521818 /nfs/dbraw/zinc/52/18/18/1199521818.db2.gz JJUGBXCXRPORLP-HOTGVXAUSA-N 1 2 349.519 2.474 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[NH2+]Cc1nc(-c2cccc(OC)c2)no1 ZINC001132395642 1199652179 /nfs/dbraw/zinc/65/21/79/1199652179.db2.gz JHORJSONIRVXLM-UHFFFAOYSA-N 1 2 344.415 2.163 20 30 EEEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000127017753 1200372523 /nfs/dbraw/zinc/37/25/23/1200372523.db2.gz YNBCSTOCRFVACQ-UHFFFAOYSA-N 1 2 331.351 2.479 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCn3nccc32)C1 ZINC001014986789 1224616958 /nfs/dbraw/zinc/61/69/58/1224616958.db2.gz HVQQFXYKJGHGAY-ZWKOTPCHSA-N 1 2 349.438 2.023 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCn3nccc32)C1 ZINC001014986789 1224616961 /nfs/dbraw/zinc/61/69/61/1224616961.db2.gz HVQQFXYKJGHGAY-ZWKOTPCHSA-N 1 2 349.438 2.023 20 30 EEEDLO CCCCCCCC[C@@H](C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000826075689 1200698204 /nfs/dbraw/zinc/69/82/04/1200698204.db2.gz YICDYYROLMJHRH-MRXNPFEDSA-N 1 2 325.497 2.393 20 30 EEEDLO CCCCCCCC[C@@H](C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000826075689 1200698207 /nfs/dbraw/zinc/69/82/07/1200698207.db2.gz YICDYYROLMJHRH-MRXNPFEDSA-N 1 2 325.497 2.393 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001018400524 1224677517 /nfs/dbraw/zinc/67/75/17/1224677517.db2.gz QKHKUDBRPQFZMK-HZPDHXFCSA-N 1 2 344.459 2.125 20 30 EEEDLO COc1ccc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1C#N ZINC000880877926 1201598258 /nfs/dbraw/zinc/59/82/58/1201598258.db2.gz AVRYCVFXSZXKEJ-GFCCVEGCSA-N 1 2 325.372 2.322 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2cc(=O)oc3cc4c(cc23)CCC4)nn1 ZINC000881010498 1201621529 /nfs/dbraw/zinc/62/15/29/1201621529.db2.gz GCUSGRYPWVGNJX-UHFFFAOYSA-N 1 2 348.406 2.034 20 30 EEEDLO C#C[C@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1CCCO1 ZINC000883626636 1202100463 /nfs/dbraw/zinc/10/04/63/1202100463.db2.gz BJEXUOMWNAHDQI-BZSNNMDCSA-N 1 2 338.411 2.104 20 30 EEEDLO C=CCC1(O)CC[NH+](CN2C(=O)N[C@@]3(C[C@H](C)C[C@H](C)C3)C2=O)CC1 ZINC000884479715 1202325118 /nfs/dbraw/zinc/32/51/18/1202325118.db2.gz PHKCPGLKUBUUMZ-CCWDJLKJSA-N 1 2 349.475 2.094 20 30 EEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C(=O)OC)cc2cccnc21 ZINC000886291558 1202488807 /nfs/dbraw/zinc/48/88/07/1202488807.db2.gz LQXMTFBPPLLZOV-INIZCTEOSA-N 1 2 337.379 2.058 20 30 EEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C(=O)OC)cc2cccnc21 ZINC000886291558 1202488808 /nfs/dbraw/zinc/48/88/08/1202488808.db2.gz LQXMTFBPPLLZOV-INIZCTEOSA-N 1 2 337.379 2.058 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001095396356 1204888436 /nfs/dbraw/zinc/88/84/36/1204888436.db2.gz UZXMIZBIXWRJEJ-SQNIBIBYSA-N 1 2 334.423 2.105 20 30 EEEDLO Cc1c[nH]nc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001095396356 1204888437 /nfs/dbraw/zinc/88/84/37/1204888437.db2.gz UZXMIZBIXWRJEJ-SQNIBIBYSA-N 1 2 334.423 2.105 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1C[C@H]([NH2+]Cc2noc(CC)n2)C12CCC2 ZINC001202766213 1204897303 /nfs/dbraw/zinc/89/73/03/1204897303.db2.gz SWXHFPHCYKVUIE-LSDHHAIUSA-N 1 2 344.459 2.343 20 30 EEEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1nccnc1Cl)CC2 ZINC001274443010 1205039918 /nfs/dbraw/zinc/03/99/18/1205039918.db2.gz BYMMDHHUKUKMNH-ZDUSSCGKSA-N 1 2 334.851 2.424 20 30 EEEDLO CC[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(C#N)ccc3O)C2)C1=O ZINC001274666813 1205123731 /nfs/dbraw/zinc/12/37/31/1205123731.db2.gz IZWWKADWULINEM-AUUYWEPGSA-N 1 2 327.428 2.487 20 30 EEEDLO CC[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3cc(C#N)ccc3O)C2)C1=O ZINC001274666813 1205123734 /nfs/dbraw/zinc/12/37/34/1205123734.db2.gz IZWWKADWULINEM-AUUYWEPGSA-N 1 2 327.428 2.487 20 30 EEEDLO C=C(C)CN1CC[C@@]2(CCCN2c2nc(N(C)CC)cc[nH+]2)C1=O ZINC001274735628 1205146979 /nfs/dbraw/zinc/14/69/79/1205146979.db2.gz CWCIYFVEODBSHL-SFHVURJKSA-N 1 2 329.448 2.080 20 30 EEEDLO N#Cc1ccccc1C1(C(=O)N2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)CC1 ZINC001274782404 1205162021 /nfs/dbraw/zinc/16/20/21/1205162021.db2.gz BMCDDDSHMFLEBT-UHFFFAOYSA-N 1 2 346.434 2.262 20 30 EEEDLO N#Cc1cccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CCn2cc[nH+]c2)c1 ZINC001274821507 1205175788 /nfs/dbraw/zinc/17/57/88/1205175788.db2.gz HUOSQRZKVFWIBA-QZTJIDSGSA-N 1 2 335.411 2.025 20 30 EEEDLO CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@H+](Cc3[nH]ccc3C#N)CC2)C1=O ZINC001274855935 1205188935 /nfs/dbraw/zinc/18/89/35/1205188935.db2.gz VCLJSWTZRKLXKN-KUHUBIRLSA-N 1 2 342.443 2.068 20 30 EEEDLO CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@@H+](Cc3[nH]ccc3C#N)CC2)C1=O ZINC001274855935 1205188936 /nfs/dbraw/zinc/18/89/36/1205188936.db2.gz VCLJSWTZRKLXKN-KUHUBIRLSA-N 1 2 342.443 2.068 20 30 EEEDLO Cn1cc(CN2C[C@@H]3CC[N@H+](Cc4cccnc4F)[C@@H]3C2)cc1C#N ZINC001275650097 1205466038 /nfs/dbraw/zinc/46/60/38/1205466038.db2.gz FTNNRCPMVGTWFM-MAUKXSAKSA-N 1 2 339.418 2.137 20 30 EEEDLO Cn1cc(CN2C[C@@H]3CC[N@@H+](Cc4cccnc4F)[C@@H]3C2)cc1C#N ZINC001275650097 1205466040 /nfs/dbraw/zinc/46/60/40/1205466040.db2.gz FTNNRCPMVGTWFM-MAUKXSAKSA-N 1 2 339.418 2.137 20 30 EEEDLO C=CCOc1ccccc1C[NH+]1CC2(CCN2COCCOC)C1 ZINC001275708348 1205493003 /nfs/dbraw/zinc/49/30/03/1205493003.db2.gz SQCNSOPZNBWNHT-UHFFFAOYSA-N 1 2 332.444 2.132 20 30 EEEDLO N#Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)c1O ZINC001275734804 1205504154 /nfs/dbraw/zinc/50/41/54/1205504154.db2.gz QJTMRSKXQOULHK-IRXDYDNUSA-N 1 2 325.412 2.495 20 30 EEEDLO N#Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3C2CCCC2)c1O ZINC001275734804 1205504155 /nfs/dbraw/zinc/50/41/55/1205504155.db2.gz QJTMRSKXQOULHK-IRXDYDNUSA-N 1 2 325.412 2.495 20 30 EEEDLO Cc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2C#N)C3)n(C)n1 ZINC001275969080 1205608153 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Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)[nH]n1 ZINC001006842828 1221973222 /nfs/dbraw/zinc/97/32/22/1221973222.db2.gz CCDWCODVHQXXMZ-HNNXBMFYSA-N 1 2 341.390 2.123 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001006871887 1221992330 /nfs/dbraw/zinc/99/23/30/1221992330.db2.gz ONWCAXDXJVJVDQ-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1ocnc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001006871887 1221992337 /nfs/dbraw/zinc/99/23/37/1221992337.db2.gz ONWCAXDXJVJVDQ-OAHLLOKOSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001007650987 1222346968 /nfs/dbraw/zinc/34/69/68/1222346968.db2.gz QDMGTNWTAPICHV-GJZGRUSLSA-N 1 2 336.867 2.087 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3cc(C)nc3C2)C1 ZINC001007650987 1222346971 /nfs/dbraw/zinc/34/69/71/1222346971.db2.gz QDMGTNWTAPICHV-GJZGRUSLSA-N 1 2 336.867 2.087 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)C2)CC1 ZINC001008503430 1222891723 /nfs/dbraw/zinc/89/17/23/1222891723.db2.gz GLLIIJJCQGLHAC-HNNXBMFYSA-N 1 2 344.459 2.052 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)C2)CC1 ZINC001008503431 1222891802 /nfs/dbraw/zinc/89/18/02/1222891802.db2.gz GLLIIJJCQGLHAC-OAHLLOKOSA-N 1 2 344.459 2.052 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)O1 ZINC001008599622 1222953067 /nfs/dbraw/zinc/95/30/67/1222953067.db2.gz SPMMUVZBRPRZNJ-RPVQJOFSSA-N 1 2 345.418 2.345 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)O1 ZINC001008599622 1222953072 /nfs/dbraw/zinc/95/30/72/1222953072.db2.gz SPMMUVZBRPRZNJ-RPVQJOFSSA-N 1 2 345.418 2.345 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001008706786 1223002870 /nfs/dbraw/zinc/00/28/70/1223002870.db2.gz VYLDKHZFWGYDHQ-GFCCVEGCSA-N 1 2 334.807 2.215 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001008706786 1223002873 /nfs/dbraw/zinc/00/28/73/1223002873.db2.gz VYLDKHZFWGYDHQ-GFCCVEGCSA-N 1 2 334.807 2.215 20 30 EEEDLO CCc1ocnc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010404328 1223704218 /nfs/dbraw/zinc/70/42/18/1223704218.db2.gz JEBPBWGNSRXUOQ-AWEZNQCLSA-N 1 2 342.374 2.252 20 30 EEEDLO CCc1ocnc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010404328 1223704220 /nfs/dbraw/zinc/70/42/20/1223704220.db2.gz JEBPBWGNSRXUOQ-AWEZNQCLSA-N 1 2 342.374 2.252 20 30 EEEDLO Cn1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001010561242 1223783056 /nfs/dbraw/zinc/78/30/56/1223783056.db2.gz LIMWHDCSGJOLLI-MRXNPFEDSA-N 1 2 326.375 2.040 20 30 EEEDLO Cn1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001010561242 1223783060 /nfs/dbraw/zinc/78/30/60/1223783060.db2.gz LIMWHDCSGJOLLI-MRXNPFEDSA-N 1 2 326.375 2.040 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001010706866 1223860783 /nfs/dbraw/zinc/86/07/83/1223860783.db2.gz KIUQOEZFKKXYNP-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001010706866 1223860785 /nfs/dbraw/zinc/86/07/85/1223860785.db2.gz KIUQOEZFKKXYNP-UHFFFAOYSA-N 1 2 344.459 2.006 20 30 EEEDLO Cc1noc(C)c1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001016235447 1226236590 /nfs/dbraw/zinc/23/65/90/1226236590.db2.gz KDOQCMXABLXNLR-QGZVFWFLSA-N 1 2 338.411 2.096 20 30 EEEDLO Cc1noc(C)c1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001016235447 1226236596 /nfs/dbraw/zinc/23/65/96/1226236596.db2.gz KDOQCMXABLXNLR-QGZVFWFLSA-N 1 2 338.411 2.096 20 30 EEEDLO Cc1cnccc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001014381914 1226550089 /nfs/dbraw/zinc/55/00/89/1226550089.db2.gz QXVORNSPNNDKOG-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cnccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001014381914 1226550093 /nfs/dbraw/zinc/55/00/93/1226550093.db2.gz QXVORNSPNNDKOG-INIZCTEOSA-N 1 2 338.386 2.405 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(NC(=O)Cc3[nH]cc[nH+]3)CCC[C@H]12 ZINC001014433811 1226611922 /nfs/dbraw/zinc/61/19/22/1226611922.db2.gz MZHMKVJOOFIFCC-LIRRHRJNSA-N 1 2 344.459 2.194 20 30 EEEDLO Cc1nn(C(C)C)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC001017418674 1227405270 /nfs/dbraw/zinc/40/52/70/1227405270.db2.gz NRWJMQXQQWTRQB-XYPHTWIQSA-N 1 2 329.448 2.107 20 30 EEEDLO Cc1nn(C(C)C)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC001017418674 1227405276 /nfs/dbraw/zinc/40/52/76/1227405276.db2.gz NRWJMQXQQWTRQB-XYPHTWIQSA-N 1 2 329.448 2.107 20 30 EEEDLO Cc1ncccc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c[nH]1 ZINC001017452475 1227432230 /nfs/dbraw/zinc/43/22/30/1227432230.db2.gz UFTYIPCZOAUWIX-CALCHBBNSA-N 1 2 335.411 2.079 20 30 EEEDLO Cc1ncccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c[nH]1 ZINC001017452475 1227432234 /nfs/dbraw/zinc/43/22/34/1227432234.db2.gz UFTYIPCZOAUWIX-CALCHBBNSA-N 1 2 335.411 2.079 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC001017561620 1227524408 /nfs/dbraw/zinc/52/44/08/1227524408.db2.gz XMLZZFDBTZJKPW-IYWMVGAKSA-N 1 2 338.451 2.115 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC001017561620 1227524415 /nfs/dbraw/zinc/52/44/15/1227524415.db2.gz XMLZZFDBTZJKPW-IYWMVGAKSA-N 1 2 338.451 2.115 20 30 EEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2[nH]ccc2C)cc1C#N ZINC001038211291 1229689663 /nfs/dbraw/zinc/68/96/63/1229689663.db2.gz KTGJLTNCYSJHMT-MRXNPFEDSA-N 1 2 338.411 2.208 20 30 EEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2[nH]ccc2C)cc1C#N ZINC001038211291 1229689665 /nfs/dbraw/zinc/68/96/65/1229689665.db2.gz KTGJLTNCYSJHMT-MRXNPFEDSA-N 1 2 338.411 2.208 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1scnc1C ZINC001038266716 1229713044 /nfs/dbraw/zinc/71/30/44/1229713044.db2.gz NFCZXPOSZBOLBZ-ZNMIVQPWSA-N 1 2 335.473 2.123 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1scnc1C ZINC001038266716 1229713048 /nfs/dbraw/zinc/71/30/48/1229713048.db2.gz NFCZXPOSZBOLBZ-ZNMIVQPWSA-N 1 2 335.473 2.123 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cnc3[nH]ccc3c2)c1 ZINC001038384175 1229783344 /nfs/dbraw/zinc/78/33/44/1229783344.db2.gz JRHPPGLQYNYGBR-GOSISDBHSA-N 1 2 345.406 2.390 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cnc3[nH]ccc3c2)c1 ZINC001038384175 1229783346 /nfs/dbraw/zinc/78/33/46/1229783346.db2.gz JRHPPGLQYNYGBR-GOSISDBHSA-N 1 2 345.406 2.390 20 30 EEEDLO CC1(Nc2cccc(F)c2C#N)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001067265678 1230000308 /nfs/dbraw/zinc/00/03/08/1230000308.db2.gz HGEVNKZXSLEBFL-UHFFFAOYSA-N 1 2 341.390 2.387 20 30 EEEDLO C#CCOc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccn2)cc1 ZINC001038779165 1230048208 /nfs/dbraw/zinc/04/82/08/1230048208.db2.gz RXLDFHJEPANOOJ-GOSISDBHSA-N 1 2 335.407 2.098 20 30 EEEDLO C#CCOc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccn2)cc1 ZINC001038779165 1230048212 /nfs/dbraw/zinc/04/82/12/1230048212.db2.gz RXLDFHJEPANOOJ-GOSISDBHSA-N 1 2 335.407 2.098 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]2[C@@H](C)c2ccccc2F)nn1 ZINC001038780512 1230049343 /nfs/dbraw/zinc/04/93/43/1230049343.db2.gz DJPLPVCCKAHRNT-UONOGXRCSA-N 1 2 343.406 2.169 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+]2[C@@H](C)c2ccccc2F)nn1 ZINC001038780512 1230049349 /nfs/dbraw/zinc/04/93/49/1230049349.db2.gz DJPLPVCCKAHRNT-UONOGXRCSA-N 1 2 343.406 2.169 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1conc1C ZINC001038800218 1230065391 /nfs/dbraw/zinc/06/53/91/1230065391.db2.gz QWMLVXAWTLHAAL-IKGGRYGDSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1conc1C ZINC001038800218 1230065395 /nfs/dbraw/zinc/06/53/95/1230065395.db2.gz QWMLVXAWTLHAAL-IKGGRYGDSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1oc(C)nc1C ZINC001038800514 1230066296 /nfs/dbraw/zinc/06/62/96/1230066296.db2.gz SGEPPTGNDLGZHG-RYRKJORJSA-N 1 2 347.459 2.353 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1oc(C)nc1C ZINC001038800514 1230066299 /nfs/dbraw/zinc/06/62/99/1230066299.db2.gz SGEPPTGNDLGZHG-RYRKJORJSA-N 1 2 347.459 2.353 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039130920 1230339710 /nfs/dbraw/zinc/33/97/10/1230339710.db2.gz AMJKAEZFQHACGJ-KGLIPLIRSA-N 1 2 334.357 2.471 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039130920 1230339715 /nfs/dbraw/zinc/33/97/15/1230339715.db2.gz AMJKAEZFQHACGJ-KGLIPLIRSA-N 1 2 334.357 2.471 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC001039130920 1230339720 /nfs/dbraw/zinc/33/97/20/1230339720.db2.gz AMJKAEZFQHACGJ-KGLIPLIRSA-N 1 2 334.357 2.471 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC001039130920 1230339722 /nfs/dbraw/zinc/33/97/22/1230339722.db2.gz AMJKAEZFQHACGJ-KGLIPLIRSA-N 1 2 334.357 2.471 20 30 EEEDLO C#CCCCC(=O)N(C)CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001067289275 1230417434 /nfs/dbraw/zinc/41/74/34/1230417434.db2.gz OJWBOPAJXWPVAT-UHFFFAOYSA-N 1 2 340.427 2.287 20 30 EEEDLO 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Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#Cc2ccccc2)co1 ZINC001096994812 1243556088 /nfs/dbraw/zinc/55/60/88/1243556088.db2.gz JATBSSXESXUTHO-LMMKCTJWSA-N 1 2 335.407 2.370 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)cnn1 ZINC001097006294 1243567232 /nfs/dbraw/zinc/56/72/32/1243567232.db2.gz RRMIZKCTMFIYHM-QRVBRYPASA-N 1 2 347.422 2.192 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)cnn1 ZINC001097006294 1243567240 /nfs/dbraw/zinc/56/72/40/1243567240.db2.gz RRMIZKCTMFIYHM-QRVBRYPASA-N 1 2 347.422 2.192 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2nc(C)[nH+]c3c2CCCC3)C1 ZINC001097042254 1243612334 /nfs/dbraw/zinc/61/23/34/1243612334.db2.gz FDBCNQAZGXOAJD-QEJZJMRPSA-N 1 2 344.459 2.314 20 30 EEEDLO C#CCOCCC(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001097066451 1243648599 /nfs/dbraw/zinc/64/85/99/1243648599.db2.gz JPPLLANHUWSVDO-SHTZXODSSA-N 1 2 330.432 2.007 20 30 EEEDLO Cc1ccc(C#N)c(NC2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)n1 ZINC001057446037 1243798827 /nfs/dbraw/zinc/79/88/27/1243798827.db2.gz YQLKXKGZDCPZAZ-UHFFFAOYSA-N 1 2 338.415 2.021 20 30 EEEDLO Cc1ccc(C#N)c(NC2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)n1 ZINC001057446037 1243798833 /nfs/dbraw/zinc/79/88/33/1243798833.db2.gz YQLKXKGZDCPZAZ-UHFFFAOYSA-N 1 2 338.415 2.021 20 30 EEEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001050817820 1244436685 /nfs/dbraw/zinc/43/66/85/1244436685.db2.gz WEANJQLNSHZEET-GDBMZVCRSA-N 1 2 344.459 2.074 20 30 EEEDLO Cc1nc(N[C@@H]2CCCN(C(=O)C#CC3CC3)C2)c2c([nH+]1)CCCC2 ZINC001057639197 1244516644 /nfs/dbraw/zinc/51/66/44/1244516644.db2.gz SXNXKPVJYGRLBK-MRXNPFEDSA-N 1 2 338.455 2.480 20 30 EEEDLO Cc1cc(N[C@@H](C)CNC(=O)c2c[nH]c(C#N)c2)nc(C(C)C)[nH+]1 ZINC001097765968 1244583862 /nfs/dbraw/zinc/58/38/62/1244583862.db2.gz DNVCNDKBRRVXKI-LBPRGKRZSA-N 1 2 326.404 2.339 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnn(CC(C)C)c1CC ZINC001050914683 1244614888 /nfs/dbraw/zinc/61/48/88/1244614888.db2.gz OUYWTHNYXLJEBG-INIZCTEOSA-N 1 2 348.491 2.108 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnn(CC(C)C)c1CC ZINC001050914683 1244614898 /nfs/dbraw/zinc/61/48/98/1244614898.db2.gz OUYWTHNYXLJEBG-INIZCTEOSA-N 1 2 348.491 2.108 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C)ccc1OC ZINC001051008238 1244838330 /nfs/dbraw/zinc/83/83/30/1244838330.db2.gz SQLURKJRMQHGKY-MRXNPFEDSA-N 1 2 332.444 2.400 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C)ccc1OC ZINC001051008238 1244838345 /nfs/dbraw/zinc/83/83/45/1244838345.db2.gz SQLURKJRMQHGKY-MRXNPFEDSA-N 1 2 332.444 2.400 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001051033045 1244882177 /nfs/dbraw/zinc/88/21/77/1244882177.db2.gz DMVRABWAFNGBRL-NVXWUHKLSA-N 1 2 344.455 2.407 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001051033045 1244882181 /nfs/dbraw/zinc/88/21/81/1244882181.db2.gz DMVRABWAFNGBRL-NVXWUHKLSA-N 1 2 344.455 2.407 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2ccc(OC)cc2[nH]1 ZINC001051057185 1244920403 /nfs/dbraw/zinc/92/04/03/1244920403.db2.gz DMXHRXMSTMYCEK-OAHLLOKOSA-N 1 2 343.427 2.183 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2ccc(OC)cc2[nH]1 ZINC001051057185 1244920409 /nfs/dbraw/zinc/92/04/09/1244920409.db2.gz DMXHRXMSTMYCEK-OAHLLOKOSA-N 1 2 343.427 2.183 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cncc2sccc21 ZINC001051086002 1244958671 /nfs/dbraw/zinc/95/86/71/1244958671.db2.gz ISISAYBPUZYYMS-CYBMUJFWSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cncc2sccc21 ZINC001051086002 1244958679 /nfs/dbraw/zinc/95/86/79/1244958679.db2.gz ISISAYBPUZYYMS-CYBMUJFWSA-N 1 2 331.441 2.303 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1sc(C)cc1OC ZINC001051145609 1245043777 /nfs/dbraw/zinc/04/37/77/1245043777.db2.gz JLSYBWASMZGYNU-CQSZACIVSA-N 1 2 338.473 2.462 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1sc(C)cc1OC ZINC001051145609 1245043781 /nfs/dbraw/zinc/04/37/81/1245043781.db2.gz JLSYBWASMZGYNU-CQSZACIVSA-N 1 2 338.473 2.462 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001052815267 1245058552 /nfs/dbraw/zinc/05/85/52/1245058552.db2.gz TWYJBHHIXIHSCJ-LSDHHAIUSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001052815267 1245058557 /nfs/dbraw/zinc/05/85/57/1245058557.db2.gz TWYJBHHIXIHSCJ-LSDHHAIUSA-N 1 2 346.475 2.155 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2ccn(C)c2c1 ZINC001051193861 1245371724 /nfs/dbraw/zinc/37/17/24/1245371724.db2.gz OWQGXNCIUUQNFG-KRWDZBQOSA-N 1 2 327.428 2.185 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2ccn(C)c2c1 ZINC001051193861 1245371733 /nfs/dbraw/zinc/37/17/33/1245371733.db2.gz OWQGXNCIUUQNFG-KRWDZBQOSA-N 1 2 327.428 2.185 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(C2CCCCC2)c1 ZINC001051200353 1245380085 /nfs/dbraw/zinc/38/00/85/1245380085.db2.gz PMDZGPCYQFBPDC-GOSISDBHSA-N 1 2 346.475 2.395 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(C2CCCCC2)c1 ZINC001051200353 1245380090 /nfs/dbraw/zinc/38/00/90/1245380090.db2.gz PMDZGPCYQFBPDC-GOSISDBHSA-N 1 2 346.475 2.395 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1coc(-c2ccccc2)n1 ZINC001051212041 1245396700 /nfs/dbraw/zinc/39/67/00/1245396700.db2.gz KHTMHHVXLDPMLS-INIZCTEOSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1coc(-c2ccccc2)n1 ZINC001051212041 1245396705 /nfs/dbraw/zinc/39/67/05/1245396705.db2.gz KHTMHHVXLDPMLS-INIZCTEOSA-N 1 2 341.411 2.348 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCc1ccsc1)c1nccn12 ZINC001101632221 1246061788 /nfs/dbraw/zinc/06/17/88/1246061788.db2.gz CJSHMFZOTWWVRR-OAHLLOKOSA-N 1 2 342.468 2.335 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCO[C@@H](C[NH2+][C@H](C)c2nc(C3CC3)no2)C1 ZINC001051756096 1246076060 /nfs/dbraw/zinc/07/60/60/1246076060.db2.gz NZKQRYPDNFWJFQ-OCCSQVGLSA-N 1 2 348.447 2.037 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)CC(C)C)c1nccn12 ZINC001101648994 1246078969 /nfs/dbraw/zinc/07/89/69/1246078969.db2.gz CDWQHIKQQGFTBQ-HZPDHXFCSA-N 1 2 328.460 2.161 20 30 EEEDLO Cc1ccccc1[C@H](C)[NH+]1CC2(C1)CN(C(=O)C#CC1CC1)CCO2 ZINC001053250021 1246095192 /nfs/dbraw/zinc/09/51/92/1246095192.db2.gz IXXPLKPPBNKELC-KRWDZBQOSA-N 1 2 338.451 2.383 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CCC[C@H](OC)C1)CCO2 ZINC001053280095 1246136082 /nfs/dbraw/zinc/13/60/82/1246136082.db2.gz APAHEPZACVALCU-SJORKVTESA-N 1 2 336.476 2.071 20 30 EEEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cc(C(C)C)on1)CCO2 ZINC001053361775 1246232896 /nfs/dbraw/zinc/23/28/96/1246232896.db2.gz SZSPEKKMQFISGI-UHFFFAOYSA-N 1 2 333.432 2.291 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC=CCC3)C2)CC1 ZINC001051980710 1246339184 /nfs/dbraw/zinc/33/91/84/1246339184.db2.gz JBNVPDSUJCWSMW-SJORKVTESA-N 1 2 337.895 2.314 20 30 EEEDLO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CCNc3cc[nH+]c(C)n3)C2)c1 ZINC001053514049 1246417964 /nfs/dbraw/zinc/41/79/64/1246417964.db2.gz AGONSMNITRGQKO-RHSMWYFYSA-N 1 2 349.438 2.372 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1occ3c1CCCC3)CCO2 ZINC001053518451 1246423484 /nfs/dbraw/zinc/42/34/84/1246423484.db2.gz VTGMEFUCQKSXET-UHFFFAOYSA-N 1 2 330.428 2.261 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](OC)C1CCCCC1)CCO2 ZINC001053552873 1246465656 /nfs/dbraw/zinc/46/56/56/1246465656.db2.gz GVAJASFXXHHHBZ-KRWDZBQOSA-N 1 2 336.476 2.071 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C)cc3C)C2)CC1 ZINC001052114748 1246497332 /nfs/dbraw/zinc/49/73/32/1246497332.db2.gz OMHUGKVDXZORPY-LJQANCHMSA-N 1 2 339.483 2.159 20 30 EEEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C3CCC(C)(C)CC3)C2)CC1 ZINC001052122486 1246507922 /nfs/dbraw/zinc/50/79/22/1246507922.db2.gz UPIHNFUSKLKZLR-LJQANCHMSA-N 1 2 345.531 2.445 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(OCC)nc1)O2 ZINC001053605350 1246520927 /nfs/dbraw/zinc/52/09/27/1246520927.db2.gz DNBQQARIAYUYRC-MRXNPFEDSA-N 1 2 345.443 2.020 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(OCC)nc1)O2 ZINC001053605349 1246521226 /nfs/dbraw/zinc/52/12/26/1246521226.db2.gz DNBQQARIAYUYRC-INIZCTEOSA-N 1 2 345.443 2.020 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)O2 ZINC001053621214 1246545899 /nfs/dbraw/zinc/54/58/99/1246545899.db2.gz CEFSBCQKYCTPRL-CQSZACIVSA-N 1 2 346.475 2.247 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C)ccc1OC)O2 ZINC001053626672 1246553185 /nfs/dbraw/zinc/55/31/85/1246553185.db2.gz CCSFDXOLGKZGCR-HNNXBMFYSA-N 1 2 330.428 2.153 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)O2 ZINC001053674647 1246627041 /nfs/dbraw/zinc/62/70/41/1246627041.db2.gz RDRQBNYHXPAYAI-KSZLIROESA-N 1 2 326.440 2.326 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3[nH]c(C)nc3c1)O2 ZINC001053683833 1246642440 /nfs/dbraw/zinc/64/24/40/1246642440.db2.gz IHNHVIKYURPAGN-HNNXBMFYSA-N 1 2 340.427 2.021 20 30 EEEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3c(C)cccn3c1)O2 ZINC001053686638 1246647784 /nfs/dbraw/zinc/64/77/84/1246647784.db2.gz WICZLOPBPIXLSY-KRWDZBQOSA-N 1 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COc1ccc(CC(N)=[NH+]OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000060455449 790371023 /nfs/dbraw/zinc/37/10/23/790371023.db2.gz WXSXUSDQPDKDHP-KBPBESRZSA-N 1 2 333.432 2.316 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1OC ZINC001212337388 776138910 /nfs/dbraw/zinc/13/89/10/776138910.db2.gz LAUWKKBMMMALGU-ZIAGYGMSSA-N 1 2 341.839 2.077 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1OC ZINC001212337388 776138922 /nfs/dbraw/zinc/13/89/22/776138922.db2.gz LAUWKKBMMMALGU-ZIAGYGMSSA-N 1 2 341.839 2.077 20 30 EEEDLO O=C([C@H]1C[C@@H]1C(F)F)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981083158 776508818 /nfs/dbraw/zinc/50/88/18/776508818.db2.gz JHZXFAGDNZTEER-IRXDYDNUSA-N 1 2 332.394 2.474 20 30 EEEDLO O=C([C@H]1C[C@@H]1C(F)F)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981083158 776508823 /nfs/dbraw/zinc/50/88/23/776508823.db2.gz JHZXFAGDNZTEER-IRXDYDNUSA-N 1 2 332.394 2.474 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC001028069741 776967761 /nfs/dbraw/zinc/96/77/61/776967761.db2.gz QDALKWRIJJBRTR-HNNXBMFYSA-N 1 2 345.834 2.418 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC001028069741 776967769 /nfs/dbraw/zinc/96/77/69/776967769.db2.gz QDALKWRIJJBRTR-HNNXBMFYSA-N 1 2 345.834 2.418 20 30 EEEDLO Cc1noc(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)c1C ZINC000981414373 777343239 /nfs/dbraw/zinc/34/32/39/777343239.db2.gz UJTDPRAECZBHFU-UHFFFAOYSA-N 1 2 337.423 2.491 20 30 EEEDLO Cc1noc(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)c1C ZINC000981414373 777343246 /nfs/dbraw/zinc/34/32/46/777343246.db2.gz UJTDPRAECZBHFU-UHFFFAOYSA-N 1 2 337.423 2.491 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)C1CC=CC1 ZINC001038135946 777861824 /nfs/dbraw/zinc/86/18/24/777861824.db2.gz SAVYIXVYLIKBPZ-KRWDZBQOSA-N 1 2 325.412 2.224 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)C1CC=CC1 ZINC001038135946 777861832 /nfs/dbraw/zinc/86/18/32/777861832.db2.gz SAVYIXVYLIKBPZ-KRWDZBQOSA-N 1 2 325.412 2.224 20 30 EEEDLO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC000981669600 777947879 /nfs/dbraw/zinc/94/78/79/777947879.db2.gz PVBQMRPIJNCNLA-QWHCGFSZSA-N 1 2 343.431 2.092 20 30 EEEDLO C[C@H](c1nc(C2CC2)no1)[N@H+]1CCCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC000981669600 777947887 /nfs/dbraw/zinc/94/78/87/777947887.db2.gz PVBQMRPIJNCNLA-QWHCGFSZSA-N 1 2 343.431 2.092 20 30 EEEDLO C[C@H](C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1)c1cncnc1 ZINC000981816929 778272383 /nfs/dbraw/zinc/27/23/83/778272383.db2.gz ROHXKTZYMQNGIL-SFHVURJKSA-N 1 2 348.450 2.166 20 30 EEEDLO C[C@H](C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1)c1cncnc1 ZINC000981816929 778272387 /nfs/dbraw/zinc/27/23/87/778272387.db2.gz ROHXKTZYMQNGIL-SFHVURJKSA-N 1 2 348.450 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-n2cccn2)ccn1 ZINC001028133906 778327218 /nfs/dbraw/zinc/32/72/18/778327218.db2.gz YTFNHNOUZDMFLP-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(-n2cccn2)ccn1 ZINC001028133906 778327224 /nfs/dbraw/zinc/32/72/24/778327224.db2.gz YTFNHNOUZDMFLP-OAHLLOKOSA-N 1 2 345.834 2.214 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[N@@H+](Cc3cnc(C)s3)CC2)c1 ZINC000981923754 778533936 /nfs/dbraw/zinc/53/39/36/778533936.db2.gz ZBEGMNCORGTJCW-UHFFFAOYSA-N 1 2 340.452 2.176 20 30 EEEDLO C#Cc1cncc(C(=O)N2CCC[N@H+](Cc3cnc(C)s3)CC2)c1 ZINC000981923754 778533949 /nfs/dbraw/zinc/53/39/49/778533949.db2.gz ZBEGMNCORGTJCW-UHFFFAOYSA-N 1 2 340.452 2.176 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccon1 ZINC001028190421 778797286 /nfs/dbraw/zinc/79/72/86/778797286.db2.gz UPJBZRPLCXLHAF-IKGGRYGDSA-N 1 2 333.432 2.127 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccon1 ZINC001028190421 778797289 /nfs/dbraw/zinc/79/72/89/778797289.db2.gz UPJBZRPLCXLHAF-IKGGRYGDSA-N 1 2 333.432 2.127 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)O1 ZINC000982000070 778827942 /nfs/dbraw/zinc/82/79/42/778827942.db2.gz CXWDEXANCSCVCI-CZUORRHYSA-N 1 2 333.457 2.222 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)O1 ZINC000982000070 778827945 /nfs/dbraw/zinc/82/79/45/778827945.db2.gz CXWDEXANCSCVCI-CZUORRHYSA-N 1 2 333.457 2.222 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(C)nn(C)c2n1 ZINC001028336375 780810252 /nfs/dbraw/zinc/81/02/52/780810252.db2.gz CAOBFHSZOKQGSS-ZDUSSCGKSA-N 1 2 347.850 2.223 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(C)nn(C)c2n1 ZINC001028336375 780810262 /nfs/dbraw/zinc/81/02/62/780810262.db2.gz CAOBFHSZOKQGSS-ZDUSSCGKSA-N 1 2 347.850 2.223 20 30 EEEDLO CCc1nocc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088842160 780877785 /nfs/dbraw/zinc/87/77/85/780877785.db2.gz QGZLSCPIBTVJGZ-BEFAXECRSA-N 1 2 337.423 2.481 20 30 EEEDLO CCc1nocc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088842160 780877794 /nfs/dbraw/zinc/87/77/94/780877794.db2.gz QGZLSCPIBTVJGZ-BEFAXECRSA-N 1 2 337.423 2.481 20 30 EEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](Nc2ccc(C#N)nc2)CC1 ZINC001063379050 790861732 /nfs/dbraw/zinc/86/17/32/790861732.db2.gz XESFFBQIKIOXKO-HDJSIYSDSA-N 1 2 338.415 2.067 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CCOCC2)[C@H]1CC ZINC001087485343 781414386 /nfs/dbraw/zinc/41/43/86/781414386.db2.gz AESWFEOJLFXBDR-UONOGXRCSA-N 1 2 345.281 2.291 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CCOCC2)[C@H]1CC ZINC001087485343 781414392 /nfs/dbraw/zinc/41/43/92/781414392.db2.gz AESWFEOJLFXBDR-UONOGXRCSA-N 1 2 345.281 2.291 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](n2cc(C[NH2+]C[C@H](F)CC)nn2)C1 ZINC001098697756 781445117 /nfs/dbraw/zinc/44/51/17/781445117.db2.gz KYAGHSSELGITBU-UKRRQHHQSA-N 1 2 337.443 2.101 20 30 EEEDLO CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001211868106 781584240 /nfs/dbraw/zinc/58/42/40/781584240.db2.gz DUZCBPTVBDSSEQ-IAGOWNOFSA-N 1 2 333.407 2.203 20 30 EEEDLO CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001211868106 781584247 /nfs/dbraw/zinc/58/42/47/781584247.db2.gz DUZCBPTVBDSSEQ-IAGOWNOFSA-N 1 2 333.407 2.203 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCCO2)[C@H]1CC ZINC001087509839 781608326 /nfs/dbraw/zinc/60/83/26/781608326.db2.gz SWEGZOQFNMJUGE-HZSPNIEDSA-N 1 2 345.281 2.433 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCO2)[C@H]1CC ZINC001087509839 781608332 /nfs/dbraw/zinc/60/83/32/781608332.db2.gz SWEGZOQFNMJUGE-HZSPNIEDSA-N 1 2 345.281 2.433 20 30 EEEDLO Cc1cnc(C[N@H+]2C[C@H](NC(=O)CSCC#N)CC[C@@H]2C)s1 ZINC001131828904 783322419 /nfs/dbraw/zinc/32/24/19/783322419.db2.gz AEIYIIQJVDOANU-WCQYABFASA-N 1 2 338.502 2.177 20 30 EEEDLO Cc1cnc(C[N@@H+]2C[C@H](NC(=O)CSCC#N)CC[C@@H]2C)s1 ZINC001131828904 783322428 /nfs/dbraw/zinc/32/24/28/783322428.db2.gz AEIYIIQJVDOANU-WCQYABFASA-N 1 2 338.502 2.177 20 30 EEEDLO CC(C)c1noc(C[NH2+][C@H]2CCCCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001088281649 783349153 /nfs/dbraw/zinc/34/91/53/783349153.db2.gz QSQKTHPKTCZEIT-KBPBESRZSA-N 1 2 333.436 2.213 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC001131895264 783452155 /nfs/dbraw/zinc/45/21/55/783452155.db2.gz HVYHJLWLLFMKSL-RHSMWYFYSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC001131895264 783452162 /nfs/dbraw/zinc/45/21/62/783452162.db2.gz HVYHJLWLLFMKSL-RHSMWYFYSA-N 1 2 347.503 2.227 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001131895719 783453744 /nfs/dbraw/zinc/45/37/44/783453744.db2.gz LKALPIPARFFITL-KGLIPLIRSA-N 1 2 334.416 2.084 20 30 EEEDLO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001131895719 783453749 /nfs/dbraw/zinc/45/37/49/783453749.db2.gz LKALPIPARFFITL-KGLIPLIRSA-N 1 2 334.416 2.084 20 30 EEEDLO C=CCOCC(=O)N[C@H](C)C1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001126622742 783466510 /nfs/dbraw/zinc/46/65/10/783466510.db2.gz WCPTVZPYKZSXMA-OAHLLOKOSA-N 1 2 346.475 2.326 20 30 EEEDLO C=C1CCC(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(COC)no2)CC1 ZINC001035039530 783596461 /nfs/dbraw/zinc/59/64/61/783596461.db2.gz KQJFEMRCHRDCNT-OAHLLOKOSA-N 1 2 348.447 2.043 20 30 EEEDLO C[C@H](C[C@H](C)NC(=O)c1[nH]ncc1F)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135407586 783717871 /nfs/dbraw/zinc/71/78/71/783717871.db2.gz KUNIUEHGJCJPKH-OLZOCXBDSA-N 1 2 346.381 2.226 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC2(CC[N@H+](Cc3ncc(Cl)n3C)C2)CC1 ZINC001035168100 783965879 /nfs/dbraw/zinc/96/58/79/783965879.db2.gz SIGXRFQRPDCCIL-ZDUSSCGKSA-N 1 2 349.866 2.048 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCC2(CC[N@@H+](Cc3ncc(Cl)n3C)C2)CC1 ZINC001035168100 783965889 /nfs/dbraw/zinc/96/58/89/783965889.db2.gz SIGXRFQRPDCCIL-ZDUSSCGKSA-N 1 2 349.866 2.048 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ncoc2-c2cccs2)C1 ZINC001035549275 784718962 /nfs/dbraw/zinc/71/89/62/784718962.db2.gz KCJUNFWQYJNWHS-CYBMUJFWSA-N 1 2 347.440 2.410 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ncoc2-c2cccs2)C1 ZINC001035549275 784718968 /nfs/dbraw/zinc/71/89/68/784718968.db2.gz KCJUNFWQYJNWHS-CYBMUJFWSA-N 1 2 347.440 2.410 20 30 EEEDLO C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc3c(s2)CC[C@@H](C)C3)C1 ZINC001035602504 784763227 /nfs/dbraw/zinc/76/32/27/784763227.db2.gz IYZHSULFGUOPMT-ZBFHGGJFSA-N 1 2 346.496 2.327 20 30 EEEDLO C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc3c(s2)CC[C@@H](C)C3)C1 ZINC001035602504 784763233 /nfs/dbraw/zinc/76/32/33/784763233.db2.gz IYZHSULFGUOPMT-ZBFHGGJFSA-N 1 2 346.496 2.327 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001035620280 784810956 /nfs/dbraw/zinc/81/09/56/784810956.db2.gz RJFXFXUKBFBDFX-CJNGLKHVSA-N 1 2 334.847 2.373 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001035620280 784810965 /nfs/dbraw/zinc/81/09/65/784810965.db2.gz RJFXFXUKBFBDFX-CJNGLKHVSA-N 1 2 334.847 2.373 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001035613750 784852513 /nfs/dbraw/zinc/85/25/13/784852513.db2.gz LJIRMTFNJVBZFD-LJQANCHMSA-N 1 2 344.455 2.482 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC001035613750 784852523 /nfs/dbraw/zinc/85/25/23/784852523.db2.gz LJIRMTFNJVBZFD-LJQANCHMSA-N 1 2 344.455 2.482 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)Cc1ccc(=O)[nH]c1)CC2 ZINC001035750992 785110142 /nfs/dbraw/zinc/11/01/42/785110142.db2.gz JSEYWXWLVKEUDC-UHFFFAOYSA-N 1 2 335.835 2.007 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)[C@@H]1C ZINC001088867942 791103899 /nfs/dbraw/zinc/10/38/99/791103899.db2.gz AIGAYVLIMVYCQC-OJLVUWQFSA-N 1 2 349.862 2.405 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)[C@@H]1C ZINC001088867942 791103906 /nfs/dbraw/zinc/10/39/06/791103906.db2.gz AIGAYVLIMVYCQC-OJLVUWQFSA-N 1 2 349.862 2.405 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC=C(Cl)Cl)[C@@H]1C ZINC001088868483 791107720 /nfs/dbraw/zinc/10/77/20/791107720.db2.gz HIDUBZVKXCEHCG-NDBYEHHHSA-N 1 2 333.259 2.476 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC=C(Cl)Cl)[C@@H]1C ZINC001088868483 791107724 /nfs/dbraw/zinc/10/77/24/791107724.db2.gz HIDUBZVKXCEHCG-NDBYEHHHSA-N 1 2 333.259 2.476 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)[C@@H]1C ZINC001088868018 791110135 /nfs/dbraw/zinc/11/01/35/791110135.db2.gz GLRKRRDDTKJELL-OJLVUWQFSA-N 1 2 345.443 2.222 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)[C@@H]1C ZINC001088868018 791110141 /nfs/dbraw/zinc/11/01/41/791110141.db2.gz GLRKRRDDTKJELL-OJLVUWQFSA-N 1 2 345.443 2.222 20 30 EEEDLO N#Cc1cnc(NC/C=C/CNC(=O)CCc2[nH]cc[nH+]2)c(Cl)c1 ZINC001107174148 786224188 /nfs/dbraw/zinc/22/41/88/786224188.db2.gz WXKJKSHSFIGWBD-OWOJBTEDSA-N 1 2 344.806 2.047 20 30 EEEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)CCC(=C)C)CC2)C1 ZINC001105709664 786409131 /nfs/dbraw/zinc/40/91/31/786409131.db2.gz RKFUOEFGUHZXIP-UHFFFAOYSA-N 1 2 336.476 2.237 20 30 EEEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@H](CC)C(C)(C)C)nn2)C1 ZINC001107229672 786563969 /nfs/dbraw/zinc/56/39/69/786563969.db2.gz NVULHPNAJQCOLC-HNNXBMFYSA-N 1 2 345.491 2.237 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)c(C)o3)C[C@@H]2O)CC1 ZINC001090548598 786834362 /nfs/dbraw/zinc/83/43/62/786834362.db2.gz ZYITVYJKKUUFGC-IRXDYDNUSA-N 1 2 347.459 2.089 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)c(C)o3)C[C@@H]2O)CC1 ZINC001090548598 786834374 /nfs/dbraw/zinc/83/43/74/786834374.db2.gz ZYITVYJKKUUFGC-IRXDYDNUSA-N 1 2 347.459 2.089 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)c(C)s3)C[C@@H]2O)C1 ZINC001090554411 786893905 /nfs/dbraw/zinc/89/39/05/786893905.db2.gz XZIZFLBZYSIPOJ-GJZGRUSLSA-N 1 2 349.500 2.168 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)c(C)s3)C[C@@H]2O)C1 ZINC001090554411 786893916 /nfs/dbraw/zinc/89/39/16/786893916.db2.gz XZIZFLBZYSIPOJ-GJZGRUSLSA-N 1 2 349.500 2.168 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc3occc3s2)[C@@H](O)C1 ZINC001090570852 787008576 /nfs/dbraw/zinc/00/85/76/787008576.db2.gz VKATWXUURLFNJU-QWRGUYRKSA-N 1 2 340.832 2.412 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc3occc3s2)[C@@H](O)C1 ZINC001090570852 787008583 /nfs/dbraw/zinc/00/85/83/787008583.db2.gz VKATWXUURLFNJU-QWRGUYRKSA-N 1 2 340.832 2.412 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cnc3ccccc3c2)[C@H](O)C1 ZINC001090598729 787187715 /nfs/dbraw/zinc/18/77/15/787187715.db2.gz BBEMLUKAVVISRL-IAGOWNOFSA-N 1 2 345.830 2.152 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cnc3ccccc3c2)[C@H](O)C1 ZINC001090598729 787187718 /nfs/dbraw/zinc/18/77/18/787187718.db2.gz BBEMLUKAVVISRL-IAGOWNOFSA-N 1 2 345.830 2.152 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NC/C=C/CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107456501 787286183 /nfs/dbraw/zinc/28/61/83/787286183.db2.gz OXPARDYMGYSIEZ-KXLSMFKISA-N 1 2 343.475 2.007 20 30 EEEDLO C=C[C@H](C)[C@H](C)C(=O)NC/C=C/CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107456501 787286187 /nfs/dbraw/zinc/28/61/87/787286187.db2.gz OXPARDYMGYSIEZ-KXLSMFKISA-N 1 2 343.475 2.007 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(CC)cc2)[C@@H](O)C1 ZINC001090607349 787299232 /nfs/dbraw/zinc/29/92/32/787299232.db2.gz UYMLJLLADPOUOJ-IRXDYDNUSA-N 1 2 336.863 2.095 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(CC)cc2)[C@@H](O)C1 ZINC001090607349 787299235 /nfs/dbraw/zinc/29/92/35/787299235.db2.gz UYMLJLLADPOUOJ-IRXDYDNUSA-N 1 2 336.863 2.095 20 30 EEEDLO C=CCC(C)(C)C(=O)NC/C=C/CNc1[nH+]cnc2c1cnn2C ZINC001107541483 787555297 /nfs/dbraw/zinc/55/52/97/787555297.db2.gz WGUFUHISABJUKP-VOTSOKGWSA-N 1 2 328.420 2.050 20 30 EEEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)/C=C/C2CC2)cc1C#N ZINC001032330443 787689862 /nfs/dbraw/zinc/68/98/62/787689862.db2.gz IMGWRCCSJDDSEP-KEEVIKFDSA-N 1 2 337.423 2.318 20 30 EEEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)/C=C/C2CC2)cc1C#N ZINC001032330443 787689868 /nfs/dbraw/zinc/68/98/68/787689868.db2.gz IMGWRCCSJDDSEP-KEEVIKFDSA-N 1 2 337.423 2.318 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccoc2CCC)[C@@H](O)C1 ZINC001090724242 787918999 /nfs/dbraw/zinc/91/89/99/787918999.db2.gz HIRKDZCWGIYGED-KGLIPLIRSA-N 1 2 326.824 2.150 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2CCC)[C@@H](O)C1 ZINC001090724242 787919005 /nfs/dbraw/zinc/91/90/05/787919005.db2.gz HIRKDZCWGIYGED-KGLIPLIRSA-N 1 2 326.824 2.150 20 30 EEEDLO C=CCCC(=O)N[C@H]1C[N@@H+](Cc2nocc2C)CC2(CCOCC2)C1 ZINC001099570734 787974358 /nfs/dbraw/zinc/97/43/58/787974358.db2.gz UGQSKMMLXGWKEE-MRXNPFEDSA-N 1 2 347.459 2.437 20 30 EEEDLO C=CCCC(=O)N[C@H]1C[N@H+](Cc2nocc2C)CC2(CCOCC2)C1 ZINC001099570734 787974364 /nfs/dbraw/zinc/97/43/64/787974364.db2.gz UGQSKMMLXGWKEE-MRXNPFEDSA-N 1 2 347.459 2.437 20 30 EEEDLO C[C@]1(CNC(=O)C2CCC2)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107679261 788033692 /nfs/dbraw/zinc/03/36/92/788033692.db2.gz ZRLMFGYIVXUJLI-IBGZPJMESA-N 1 2 327.428 2.065 20 30 EEEDLO C[C@]1(CNC(=O)C2CCC2)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107679261 788033698 /nfs/dbraw/zinc/03/36/98/788033698.db2.gz ZRLMFGYIVXUJLI-IBGZPJMESA-N 1 2 327.428 2.065 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1=CCCC1 ZINC001032351574 788107715 /nfs/dbraw/zinc/10/77/15/788107715.db2.gz KOIBJDIXXPMNJB-ROUUACIJSA-N 1 2 337.423 2.462 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1=CCCC1 ZINC001032351574 788107720 /nfs/dbraw/zinc/10/77/20/788107720.db2.gz KOIBJDIXXPMNJB-ROUUACIJSA-N 1 2 337.423 2.462 20 30 EEEDLO Cc1ccc(C(=O)/C=C\C(=O)N2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000912537527 788231716 /nfs/dbraw/zinc/23/17/16/788231716.db2.gz HLEYAVLXMJHMDD-SREVYHEPSA-N 1 2 342.439 2.057 20 30 EEEDLO CC[C@H](C)C(=O)NC[C@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107752254 788235251 /nfs/dbraw/zinc/23/52/51/788235251.db2.gz QYZYVLQNGVMMSY-HNAYVOBHSA-N 1 2 329.444 2.311 20 30 EEEDLO CC[C@H](C)C(=O)NC[C@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107752254 788235258 /nfs/dbraw/zinc/23/52/58/788235258.db2.gz QYZYVLQNGVMMSY-HNAYVOBHSA-N 1 2 329.444 2.311 20 30 EEEDLO CC[C@@H](SC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032358443 788244117 /nfs/dbraw/zinc/24/41/17/788244117.db2.gz IBQXXFDFSLNDSB-YESZJQIVSA-N 1 2 329.469 2.485 20 30 EEEDLO CC[C@@H](SC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032358443 788244120 /nfs/dbraw/zinc/24/41/20/788244120.db2.gz IBQXXFDFSLNDSB-YESZJQIVSA-N 1 2 329.469 2.485 20 30 EEEDLO C=CCCC(=O)NC[C@]1(C)C[N@H+](Cc2ccc(OC)cc2)CCO1 ZINC001107802183 788454837 /nfs/dbraw/zinc/45/48/37/788454837.db2.gz KQTNROVPWYXHJQ-LJQANCHMSA-N 1 2 332.444 2.369 20 30 EEEDLO C=CCCC(=O)NC[C@]1(C)C[N@@H+](Cc2ccc(OC)cc2)CCO1 ZINC001107802183 788454842 /nfs/dbraw/zinc/45/48/42/788454842.db2.gz KQTNROVPWYXHJQ-LJQANCHMSA-N 1 2 332.444 2.369 20 30 EEEDLO C=C(Br)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)COC ZINC001098834073 788606200 /nfs/dbraw/zinc/60/62/00/788606200.db2.gz ZQTIBQRWVBJLSI-GFCCVEGCSA-N 1 2 333.270 2.148 20 30 EEEDLO C=C(Br)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)COC ZINC001098834073 788606202 /nfs/dbraw/zinc/60/62/02/788606202.db2.gz ZQTIBQRWVBJLSI-GFCCVEGCSA-N 1 2 333.270 2.148 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)Cc3cncs3)C2)c1 ZINC001014841859 788969624 /nfs/dbraw/zinc/96/96/24/788969624.db2.gz WHKZNBGIGZDHRV-CQSZACIVSA-N 1 2 344.415 2.087 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)Cc3cncs3)C2)c1 ZINC001014841859 788969626 /nfs/dbraw/zinc/96/96/26/788969626.db2.gz WHKZNBGIGZDHRV-CQSZACIVSA-N 1 2 344.415 2.087 20 30 EEEDLO C#CCCCCC(=O)NC[C@@]1(C)C[N@H+](Cc2ncccc2C)CCO1 ZINC001107882865 789059564 /nfs/dbraw/zinc/05/95/64/789059564.db2.gz DYHSQNROWVSZHI-FQEVSTJZSA-N 1 2 343.471 2.291 20 30 EEEDLO C#CCCCCC(=O)NC[C@@]1(C)C[N@@H+](Cc2ncccc2C)CCO1 ZINC001107882865 789059571 /nfs/dbraw/zinc/05/95/71/789059571.db2.gz DYHSQNROWVSZHI-FQEVSTJZSA-N 1 2 343.471 2.291 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc4c3OCCO4)CC2)nc1 ZINC001144162955 789311133 /nfs/dbraw/zinc/31/11/33/789311133.db2.gz FVHIZQOMZNVZTO-UHFFFAOYSA-N 1 2 336.395 2.047 20 30 EEEDLO C[C@@]1(CNC(=O)C#CC2CC2)C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC001107930110 789341682 /nfs/dbraw/zinc/34/16/82/789341682.db2.gz FIWHXFYHGPMKHC-WKOQKXSESA-N 1 2 338.451 2.320 20 30 EEEDLO C[C@@]1(CNC(=O)C#CC2CC2)C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC001107930110 789341692 /nfs/dbraw/zinc/34/16/92/789341692.db2.gz FIWHXFYHGPMKHC-WKOQKXSESA-N 1 2 338.451 2.320 20 30 EEEDLO C=CCCC1(C(=O)N[C@@H](C)CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001077792293 789349466 /nfs/dbraw/zinc/34/94/66/789349466.db2.gz UPLOSNBSQOXDMK-HNNXBMFYSA-N 1 2 346.475 2.110 20 30 EEEDLO Cc1ncccc1C[N@@H+]1CCO[C@@](C)(CNC(=O)C#CC(C)(C)C)C1 ZINC001107935210 789355903 /nfs/dbraw/zinc/35/59/03/789355903.db2.gz XCIRGRJSXJWGNY-FQEVSTJZSA-N 1 2 343.471 2.147 20 30 EEEDLO Cc1ncccc1C[N@H+]1CCO[C@@](C)(CNC(=O)C#CC(C)(C)C)C1 ZINC001107935210 789355907 /nfs/dbraw/zinc/35/59/07/789355907.db2.gz XCIRGRJSXJWGNY-FQEVSTJZSA-N 1 2 343.471 2.147 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2sccc2Cl)[C@H](O)C1 ZINC001090286746 789749509 /nfs/dbraw/zinc/74/95/09/789749509.db2.gz QDTOJCKDODVKIW-GHMZBOCLSA-N 1 2 335.256 2.319 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2sccc2Cl)[C@H](O)C1 ZINC001090286746 789749511 /nfs/dbraw/zinc/74/95/11/789749511.db2.gz QDTOJCKDODVKIW-GHMZBOCLSA-N 1 2 335.256 2.319 20 30 EEEDLO C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001107956952 789856401 /nfs/dbraw/zinc/85/64/01/789856401.db2.gz PWFQOEFFYBYTKJ-WCQYABFASA-N 1 2 326.334 2.060 20 30 EEEDLO C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001107956952 789856408 /nfs/dbraw/zinc/85/64/08/789856408.db2.gz PWFQOEFFYBYTKJ-WCQYABFASA-N 1 2 326.334 2.060 20 30 EEEDLO C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001107956952 789856415 /nfs/dbraw/zinc/85/64/15/789856415.db2.gz PWFQOEFFYBYTKJ-WCQYABFASA-N 1 2 326.334 2.060 20 30 EEEDLO C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001107956952 789856420 /nfs/dbraw/zinc/85/64/20/789856420.db2.gz PWFQOEFFYBYTKJ-WCQYABFASA-N 1 2 326.334 2.060 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106066279 791271693 /nfs/dbraw/zinc/27/16/93/791271693.db2.gz AUWHARNMQGHVTF-HUUCEWRRSA-N 1 2 334.464 2.400 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2sc(Cl)nc2C)C1 ZINC001107973616 791541588 /nfs/dbraw/zinc/54/15/88/791541588.db2.gz WDYRCBYTBTUVPH-CQSZACIVSA-N 1 2 329.853 2.112 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2sc(Cl)nc2C)C1 ZINC001107973616 791541594 /nfs/dbraw/zinc/54/15/94/791541594.db2.gz WDYRCBYTBTUVPH-CQSZACIVSA-N 1 2 329.853 2.112 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)c(C)o3)[C@@H]2C)nc1 ZINC001088988195 791829091 /nfs/dbraw/zinc/82/90/91/791829091.db2.gz JKZJSGFAMSSYIP-CJNGLKHVSA-N 1 2 338.411 2.061 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)c(C)o3)[C@@H]2C)nc1 ZINC001088988195 791829093 /nfs/dbraw/zinc/82/90/93/791829093.db2.gz JKZJSGFAMSSYIP-CJNGLKHVSA-N 1 2 338.411 2.061 20 30 EEEDLO N#Cc1c(F)cccc1NC[C@H]1CCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001064112076 792435269 /nfs/dbraw/zinc/43/52/69/792435269.db2.gz GIBDQNBWHOQRHH-DOMZBBRYSA-N 1 2 341.390 2.360 20 30 EEEDLO Cc1nc(N2C[C@@H](NC(=O)CSCC#N)CC[C@@H]2C)c(C)c(C)[nH+]1 ZINC001089121411 792482522 /nfs/dbraw/zinc/48/25/22/792482522.db2.gz BEXJRSGVWQWFPK-NHYWBVRUSA-N 1 2 347.488 2.132 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349.500 2.262 20 30 EEEDLO C#CCCC1(CCNC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)N=N1 ZINC001176973804 798666494 /nfs/dbraw/zinc/66/64/94/798666494.db2.gz JFNMJDJUKHSENQ-HNNXBMFYSA-N 1 2 325.416 2.380 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@H+](CCOCC3CC3)[C@H]2C1 ZINC001177026354 798703251 /nfs/dbraw/zinc/70/32/51/798703251.db2.gz YMSVUTMKIZBUMW-ZWKOTPCHSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@H]2OCC[N@@H+](CCOCC3CC3)[C@H]2C1 ZINC001177026354 798703253 /nfs/dbraw/zinc/70/32/53/798703253.db2.gz YMSVUTMKIZBUMW-ZWKOTPCHSA-N 1 2 336.476 2.071 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCc3ncc(C)o3)C[C@@H]21 ZINC001177029297 798703895 /nfs/dbraw/zinc/70/38/95/798703895.db2.gz DONADDNPWLWPFH-DLBZAZTESA-N 1 2 347.459 2.184 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCCc3ncc(C)o3)C[C@@H]21 ZINC001177029297 798703899 /nfs/dbraw/zinc/70/38/99/798703899.db2.gz DONADDNPWLWPFH-DLBZAZTESA-N 1 2 347.459 2.184 20 30 EEEDLO C=CCCCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnco3)C[C@@H]21 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340.508 2.421 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)COCCCCCC)C[C@@H]21 ZINC001177143927 798769637 /nfs/dbraw/zinc/76/96/37/798769637.db2.gz IQFKPRNHNNPPHR-ROUUACIJSA-N 1 2 338.492 2.461 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)COCCCCCC)C[C@@H]21 ZINC001177143927 798769638 /nfs/dbraw/zinc/76/96/38/798769638.db2.gz IQFKPRNHNNPPHR-ROUUACIJSA-N 1 2 338.492 2.461 20 30 EEEDLO Cc1nc(N2CC[C@](C)(NC(=O)c3c[nH]c(C#N)c3)C2)c(C)c(C)[nH+]1 ZINC001065230617 798796500 /nfs/dbraw/zinc/79/65/00/798796500.db2.gz XCORUHYZKOBTSG-SFHVURJKSA-N 1 2 338.415 2.000 20 30 EEEDLO CCCCCC[N@@H+]1CCn2ncc(CNC(=O)C#CC3CC3)c2C1 ZINC001128347142 798992198 /nfs/dbraw/zinc/99/21/98/798992198.db2.gz MSZYOEXYWMEIEC-UHFFFAOYSA-N 1 2 328.460 2.309 20 30 EEEDLO CCCCCC[N@H+]1CCn2ncc(CNC(=O)C#CC3CC3)c2C1 ZINC001128347142 798992203 /nfs/dbraw/zinc/99/22/03/798992203.db2.gz MSZYOEXYWMEIEC-UHFFFAOYSA-N 1 2 328.460 2.309 20 30 EEEDLO C=CCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H](C)C(C)(C)C)CC2)C1 ZINC001065695119 799374955 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C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1nc2ccccc2o1 ZINC001109072733 804908908 /nfs/dbraw/zinc/90/89/08/804908908.db2.gz OGKAITKVXGFHED-KBMXLJTQSA-N 1 2 341.411 2.252 20 30 EEEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1nc2ccccc2o1 ZINC001109072733 804908911 /nfs/dbraw/zinc/90/89/11/804908911.db2.gz OGKAITKVXGFHED-KBMXLJTQSA-N 1 2 341.411 2.252 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CN(C)c3ncccc3C#N)ccn12 ZINC001109100462 804939990 /nfs/dbraw/zinc/93/99/90/804939990.db2.gz OBPONFLEYJQPLL-ZDUSSCGKSA-N 1 2 348.410 2.164 20 30 EEEDLO Cc1cc(N(C)C[C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)c(C#N)cn1 ZINC001109312030 805300148 /nfs/dbraw/zinc/30/01/48/805300148.db2.gz DEULSTSNECUIER-ZDUSSCGKSA-N 1 2 348.410 2.393 20 30 EEEDLO Cc1nc(NC[C@@H]2CCCC[C@H]2NC(=O)CSCC#N)cc[nH+]1 ZINC001109342697 805327998 /nfs/dbraw/zinc/32/79/98/805327998.db2.gz XSWOMHBLUFLTEK-UONOGXRCSA-N 1 2 333.461 2.129 20 30 EEEDLO COC(=O)[C@H]1CC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)[C@@H]1C ZINC000787323680 807088589 /nfs/dbraw/zinc/08/85/89/807088589.db2.gz GHGLYIDJLHIDGG-ZBFHGGJFSA-N 1 2 338.411 2.436 20 30 EEEDLO COC(=O)[C@H]1CC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)[C@@H]1C ZINC000787323680 807088597 /nfs/dbraw/zinc/08/85/97/807088597.db2.gz GHGLYIDJLHIDGG-ZBFHGGJFSA-N 1 2 338.411 2.436 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N1CCC[C@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001112785276 807236843 /nfs/dbraw/zinc/23/68/43/807236843.db2.gz VYCNSBUHJFPKBP-ZBFHGGJFSA-N 1 2 332.448 2.193 20 30 EEEDLO CC(C)C#CC(=O)N1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC001112829475 807371965 /nfs/dbraw/zinc/37/19/65/807371965.db2.gz FQQSUMGAZKAGNY-UHFFFAOYSA-N 1 2 336.439 2.176 20 30 EEEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](Cc2cccc(OCCC)c2)CC1 ZINC001112846456 807404317 /nfs/dbraw/zinc/40/43/17/807404317.db2.gz PNIXRPXSJNLREY-QGZVFWFLSA-N 1 2 344.455 2.158 20 30 EEEDLO Cc1cc(N[C@@H](C)[C@H](C)NC(=O)c2ccc(C#N)[nH]2)nc(C2CC2)[nH+]1 ZINC001112994389 807795008 /nfs/dbraw/zinc/79/50/08/807795008.db2.gz VYFHWGPMHJXZSU-RYUDHWBXSA-N 1 2 338.415 2.481 20 30 EEEDLO C=CCC1(C(=O)N[C@H](C)[C@@H](C)Nc2cc[nH+]c(C)n2)CCOCC1 ZINC001113116394 808165668 /nfs/dbraw/zinc/16/56/68/808165668.db2.gz HSDKSWXEANHQAL-ZIAGYGMSSA-N 1 2 332.448 2.463 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC001113247074 808533702 /nfs/dbraw/zinc/53/37/02/808533702.db2.gz ZCDXFNSGEMQKJL-AWEZNQCLSA-N 1 2 328.416 2.469 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2OC)CC1 ZINC001113265848 808602705 /nfs/dbraw/zinc/60/27/05/808602705.db2.gz DIMZTOFXBMTBRX-UHFFFAOYSA-N 1 2 338.835 2.309 20 30 EEEDLO C=CCCCC(=O)N[C@H](C)[C@@H](C)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001113296304 808649855 /nfs/dbraw/zinc/64/98/55/808649855.db2.gz KDYFDBJRTPCSQG-ZIAGYGMSSA-N 1 2 331.464 2.126 20 30 EEEDLO C=CCCCC(=O)N[C@H](C)[C@@H](C)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001113296304 808649861 /nfs/dbraw/zinc/64/98/61/808649861.db2.gz KDYFDBJRTPCSQG-ZIAGYGMSSA-N 1 2 331.464 2.126 20 30 EEEDLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H](C)Nc1cccc(F)c1C#N ZINC001113351807 808811554 /nfs/dbraw/zinc/81/15/54/808811554.db2.gz HRHGGAOUSGSCBL-RYUDHWBXSA-N 1 2 329.379 2.358 20 30 EEEDLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H](C)Nc1cccc(F)c1C#N ZINC001113351807 808811559 /nfs/dbraw/zinc/81/15/59/808811559.db2.gz HRHGGAOUSGSCBL-RYUDHWBXSA-N 1 2 329.379 2.358 20 30 EEEDLO C=CCOCCCC(=O)NC[C@@H](C)N(C)c1nc(C)[nH+]c(C)c1C ZINC001113533937 809174302 /nfs/dbraw/zinc/17/43/02/809174302.db2.gz PBCJMTNALXDQJL-CYBMUJFWSA-N 1 2 334.464 2.326 20 30 EEEDLO Cc1cc(C(=O)OCc2cc[nH+]c(N)c2)nn1-c1cccc(C#N)c1 ZINC000792117057 809587499 /nfs/dbraw/zinc/58/74/99/809587499.db2.gz GWCJQEXPHJKMDW-UHFFFAOYSA-N 1 2 333.351 2.387 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](CCOc2cccc(CC)c2)CC1 ZINC001113715109 809622280 /nfs/dbraw/zinc/62/22/80/809622280.db2.gz SGXATHSEPRFSTH-KRWDZBQOSA-N 1 2 346.471 2.363 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)N(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001113821334 809849850 /nfs/dbraw/zinc/84/98/50/809849850.db2.gz BJGSVMCYJJVYAM-HUUCEWRRSA-N 1 2 345.491 2.008 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)N(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001113821334 809849853 /nfs/dbraw/zinc/84/98/53/809849853.db2.gz BJGSVMCYJJVYAM-HUUCEWRRSA-N 1 2 345.491 2.008 20 30 EEEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3nc(CCCC)no3)C[C@H]21 ZINC001114003498 810176663 /nfs/dbraw/zinc/17/66/63/810176663.db2.gz ZZCGTQVNUYGZGL-WVZRYYJFSA-N 1 2 332.448 2.486 20 30 EEEDLO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3nc(CCCC)no3)C[C@H]21 ZINC001114003498 810176664 /nfs/dbraw/zinc/17/66/64/810176664.db2.gz ZZCGTQVNUYGZGL-WVZRYYJFSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](OCC)C(C)C ZINC001114249716 810679471 /nfs/dbraw/zinc/67/94/71/810679471.db2.gz HYEOFEHYRKUYPB-ZOBORPQBSA-N 1 2 345.281 2.003 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](OCC)C(C)C ZINC001114249716 810679476 /nfs/dbraw/zinc/67/94/76/810679476.db2.gz HYEOFEHYRKUYPB-ZOBORPQBSA-N 1 2 345.281 2.003 20 30 EEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccccc1SCC#N ZINC000804438000 810863537 /nfs/dbraw/zinc/86/35/37/810863537.db2.gz KLIQYGKIEADUOQ-CABCVRRESA-N 1 2 345.468 2.237 20 30 EEEDLO C=CCOc1ccccc1C(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001130376724 811531377 /nfs/dbraw/zinc/53/13/77/811531377.db2.gz ZAZSGQAJOHWBSN-GFCCVEGCSA-N 1 2 330.388 2.023 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2cccs2)[C@@H](O)C1 ZINC001090489058 811884595 /nfs/dbraw/zinc/88/45/95/811884595.db2.gz HYFAYPMWUWQXEA-STQMWFEESA-N 1 2 342.892 2.330 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2cccs2)[C@@H](O)C1 ZINC001090489058 811884603 /nfs/dbraw/zinc/88/46/03/811884603.db2.gz HYFAYPMWUWQXEA-STQMWFEESA-N 1 2 342.892 2.330 20 30 EEEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)CCCCCC)CC1 ZINC001131388434 812773851 /nfs/dbraw/zinc/77/38/51/812773851.db2.gz MDAKYCIPMQTRIY-QGZVFWFLSA-N 1 2 337.508 2.429 20 30 EEEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)CCCCCC)CC1 ZINC001131388434 812773857 /nfs/dbraw/zinc/77/38/57/812773857.db2.gz MDAKYCIPMQTRIY-QGZVFWFLSA-N 1 2 337.508 2.429 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)O[C@]2(CC[N@H+](Cc3nccs3)C2)C1 ZINC001131646350 813072914 /nfs/dbraw/zinc/07/29/14/813072914.db2.gz UETQCCASNHDWJJ-YOEHRIQHSA-N 1 2 335.473 2.301 20 30 EEEDLO C=CCCC(=O)N1C[C@H](C)O[C@]2(CC[N@@H+](Cc3nccs3)C2)C1 ZINC001131646350 813072922 /nfs/dbraw/zinc/07/29/22/813072922.db2.gz UETQCCASNHDWJJ-YOEHRIQHSA-N 1 2 335.473 2.301 20 30 EEEDLO C=C(Cl)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)CCC(C)(F)F)n1 ZINC001436432285 1087807529 /nfs/dbraw/zinc/80/75/29/1087807529.db2.gz NTPDNMWHKJRBTF-UHFFFAOYSA-N 1 2 348.781 2.076 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1ccc(=O)[nH]c1 ZINC001437035906 1088880490 /nfs/dbraw/zinc/88/04/90/1088880490.db2.gz IYFMNVVGIPPSHR-OAHLLOKOSA-N 1 2 337.851 2.443 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CCc1ccc(=O)[nH]c1 ZINC001437035906 1088880513 /nfs/dbraw/zinc/88/05/13/1088880513.db2.gz IYFMNVVGIPPSHR-OAHLLOKOSA-N 1 2 337.851 2.443 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc(-n2cccn2)nc1)C1CC1 ZINC001437794615 1090381399 /nfs/dbraw/zinc/38/13/99/1090381399.db2.gz AJXSVKFMLUEGKU-UHFFFAOYSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc(-n2cccn2)nc1)C1CC1 ZINC001437794615 1090381408 /nfs/dbraw/zinc/38/14/08/1090381408.db2.gz AJXSVKFMLUEGKU-UHFFFAOYSA-N 1 2 345.834 2.214 20 30 EEEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1cn(C)nc1C(F)F)C1CC1 ZINC001437796184 1090382624 /nfs/dbraw/zinc/38/26/24/1090382624.db2.gz ZLHRQUHGXYOLQS-UHFFFAOYSA-N 1 2 332.782 2.304 20 30 EEEDLO C=C(Cl)C[N@H+](CCNC(=O)c1cn(C)nc1C(F)F)C1CC1 ZINC001437796184 1090382630 /nfs/dbraw/zinc/38/26/30/1090382630.db2.gz ZLHRQUHGXYOLQS-UHFFFAOYSA-N 1 2 332.782 2.304 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)c1ccns1 ZINC001438873368 1091515644 /nfs/dbraw/zinc/51/56/44/1091515644.db2.gz NCFACUVNFVLFLT-UHFFFAOYSA-N 1 2 332.404 2.358 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)c1ccns1 ZINC001438873368 1091515652 /nfs/dbraw/zinc/51/56/52/1091515652.db2.gz NCFACUVNFVLFLT-UHFFFAOYSA-N 1 2 332.404 2.358 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2nccn3ccnc23)C1 ZINC001443191930 1097638491 /nfs/dbraw/zinc/63/84/91/1097638491.db2.gz KEEQSABCVMWFEO-CQSZACIVSA-N 1 2 347.850 2.408 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2nccn3ccnc23)C1 ZINC001443191930 1097638496 /nfs/dbraw/zinc/63/84/96/1097638496.db2.gz KEEQSABCVMWFEO-CQSZACIVSA-N 1 2 347.850 2.408 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CNC(=O)CC(C)(C)C ZINC001480330547 1100084936 /nfs/dbraw/zinc/08/49/36/1100084936.db2.gz HSSAVRGKIXXXGN-CQSZACIVSA-N 1 2 343.899 2.262 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CNC(=O)CC(C)(C)C ZINC001480330547 1100084939 /nfs/dbraw/zinc/08/49/39/1100084939.db2.gz HSSAVRGKIXXXGN-CQSZACIVSA-N 1 2 343.899 2.262 20 30 EEEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001496679870 1101279078 /nfs/dbraw/zinc/27/90/78/1101279078.db2.gz NFZKTLPPDWWFKN-HOTGVXAUSA-N 1 2 344.459 2.180 20 30 EEEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C)C#N ZINC001496679870 1101279080 /nfs/dbraw/zinc/27/90/80/1101279080.db2.gz NFZKTLPPDWWFKN-HOTGVXAUSA-N 1 2 344.459 2.180 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)Cc1nn(C)c2ccccc12 ZINC001496704680 1101303452 /nfs/dbraw/zinc/30/34/52/1101303452.db2.gz MVZHRIIFODQYCT-UHFFFAOYSA-N 1 2 334.851 2.259 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)Cc1nn(C)c2ccccc12 ZINC001496704680 1101303458 /nfs/dbraw/zinc/30/34/58/1101303458.db2.gz MVZHRIIFODQYCT-UHFFFAOYSA-N 1 2 334.851 2.259 20 30 EEEDLO Cn1c[nH+]cc1C1CCN(S(=O)(=O)c2ccc(CC#N)cc2)CC1 ZINC001464833346 1110404453 /nfs/dbraw/zinc/40/44/53/1110404453.db2.gz BCPSNSQVMXMJJZ-UHFFFAOYSA-N 1 2 344.440 2.054 20 30 EEEDLO C#CCN(CC)c1nnc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC(=C)C ZINC001516033717 1118993729 /nfs/dbraw/zinc/99/37/29/1118993729.db2.gz QJPCZSDDIYTVTP-SJORKVTESA-N 1 2 343.475 2.240 20 30 EEEDLO C#CCN(CC)c1nnc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC(=C)C ZINC001516033717 1118993731 /nfs/dbraw/zinc/99/37/31/1118993731.db2.gz QJPCZSDDIYTVTP-SJORKVTESA-N 1 2 343.475 2.240 20 30 EEEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N1CCCCC1)Cc1ccccc1 ZINC000051400851 214092227 /nfs/dbraw/zinc/09/22/27/214092227.db2.gz QEBWXZBYAYSNNV-KRWDZBQOSA-N 1 2 343.471 2.192 20 30 EEEDLO C=CC[N@H+](CC(=O)N[C@@H](C)C(=O)N1CCCCC1)Cc1ccccc1 ZINC000051400851 214092229 /nfs/dbraw/zinc/09/22/29/214092229.db2.gz QEBWXZBYAYSNNV-KRWDZBQOSA-N 1 2 343.471 2.192 20 30 EEEDLO COc1ccc2c(c1)CCN(C([O-])=[NH+][C@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000329639506 539779753 /nfs/dbraw/zinc/77/97/53/539779753.db2.gz ZHFPVZKZROFPOJ-HNNXBMFYSA-N 1 2 340.427 2.290 20 30 EEEDLO COc1ccc2c(c1)CCN(C([O-])=[NH+][C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000329639506 539779757 /nfs/dbraw/zinc/77/97/57/539779757.db2.gz ZHFPVZKZROFPOJ-HNNXBMFYSA-N 1 2 340.427 2.290 20 30 EEEDLO COc1cc(C[NH+]2CCN(CC#N)CC2)ccc1OCC(F)(F)F ZINC000092936273 237039923 /nfs/dbraw/zinc/03/99/23/237039923.db2.gz WVSSUVFMCDAHNH-UHFFFAOYSA-N 1 2 343.349 2.277 20 30 EEEDLO Cc1ccc(N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)nc1C#N ZINC000418944536 239379514 /nfs/dbraw/zinc/37/95/14/239379514.db2.gz KFXINMIQHUFWSM-SFHVURJKSA-N 1 2 330.432 2.162 20 30 EEEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)CC1(CC#N)CC1 ZINC000451456812 243122327 /nfs/dbraw/zinc/12/23/27/243122327.db2.gz CQPAUZVGSUUMMH-UHFFFAOYSA-N 1 2 338.477 2.181 20 30 EEEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(CC#N)cc3Cl)C[C@H]21 ZINC000455724643 244067543 /nfs/dbraw/zinc/06/75/43/244067543.db2.gz CIBBUUFXDOPYGO-CVEARBPZSA-N 1 2 348.834 2.343 20 30 EEEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(CC#N)cc3Cl)C[C@H]21 ZINC000455724643 244067546 /nfs/dbraw/zinc/06/75/46/244067546.db2.gz CIBBUUFXDOPYGO-CVEARBPZSA-N 1 2 348.834 2.343 20 30 EEEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O ZINC000491689992 246114113 /nfs/dbraw/zinc/11/41/13/246114113.db2.gz LBMZAVPHWFDETR-QLJPJBMISA-N 1 2 337.782 2.157 20 30 EEEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O ZINC000491689992 246114118 /nfs/dbraw/zinc/11/41/18/246114118.db2.gz LBMZAVPHWFDETR-QLJPJBMISA-N 1 2 337.782 2.157 20 30 EEEDLO COc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)c(Cl)c1 ZINC000495036391 247056041 /nfs/dbraw/zinc/05/60/41/247056041.db2.gz MEVYCJSQPJCDDG-UHFFFAOYSA-N 1 2 337.851 2.396 20 30 EEEDLO CN(C[C@@H]1CCC[N@@H+]1Cn1cccc(C#N)c1=O)C(=O)OC(C)(C)C ZINC000495188928 247081606 /nfs/dbraw/zinc/08/16/06/247081606.db2.gz KNQBQSMQSNFRJB-HNNXBMFYSA-N 1 2 346.431 2.009 20 30 EEEDLO CN(C[C@@H]1CCC[N@H+]1Cn1cccc(C#N)c1=O)C(=O)OC(C)(C)C ZINC000495188928 247081611 /nfs/dbraw/zinc/08/16/11/247081611.db2.gz KNQBQSMQSNFRJB-HNNXBMFYSA-N 1 2 346.431 2.009 20 30 EEEDLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000093078167 218191495 /nfs/dbraw/zinc/19/14/95/218191495.db2.gz OGWCQHUZDIXQII-CQSZACIVSA-N 1 2 346.500 2.185 20 30 EEEDLO C=CCc1cc(C[N@H+](CCS(C)(=O)=O)C(C)C)cc(OC)c1O ZINC000093707716 218243671 /nfs/dbraw/zinc/24/36/71/218243671.db2.gz QWNGDSFPZAIPRG-UHFFFAOYSA-N 1 2 341.473 2.384 20 30 EEEDLO C=CCc1cc(C[N@@H+](CCS(C)(=O)=O)C(C)C)cc(OC)c1O ZINC000093707716 218243674 /nfs/dbraw/zinc/24/36/74/218243674.db2.gz QWNGDSFPZAIPRG-UHFFFAOYSA-N 1 2 341.473 2.384 20 30 EEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2CC=C)CC1 ZINC000491782398 533158873 /nfs/dbraw/zinc/15/88/73/533158873.db2.gz MFIIRXSFIWLEET-UHFFFAOYSA-N 1 2 325.391 2.025 20 30 EEEDLO CCc1nnc(N2CC[NH+](Cc3ccccn3)CC2)c(C#N)c1CC ZINC000268161638 256120623 /nfs/dbraw/zinc/12/06/23/256120623.db2.gz IHWIDYJTPLYORN-UHFFFAOYSA-N 1 2 336.443 2.190 20 30 EEEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2ncccc2F)CC1 ZINC000271005982 256197825 /nfs/dbraw/zinc/19/78/25/256197825.db2.gz GWSXNEZLTKPOMQ-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000191852420 533430048 /nfs/dbraw/zinc/43/00/48/533430048.db2.gz CKSJWEIJUWBVIU-RISCZKNCSA-N 1 2 349.818 2.281 20 30 EEEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000191852420 533430053 /nfs/dbraw/zinc/43/00/53/533430053.db2.gz CKSJWEIJUWBVIU-RISCZKNCSA-N 1 2 349.818 2.281 20 30 EEEDLO CCN1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000357678815 153284286 /nfs/dbraw/zinc/28/42/86/153284286.db2.gz FVYCUVGYBUTCEV-OAHLLOKOSA-N 1 2 326.360 2.073 20 30 EEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000377318997 154138986 /nfs/dbraw/zinc/13/89/86/154138986.db2.gz XZEXDONQAKXPEQ-SFHVURJKSA-N 1 2 348.406 2.108 20 30 EEEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000377318997 154138990 /nfs/dbraw/zinc/13/89/90/154138990.db2.gz XZEXDONQAKXPEQ-SFHVURJKSA-N 1 2 348.406 2.108 20 30 EEEDLO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2sccc2C#N)C[C@@H](C)O1 ZINC000250346169 160388035 /nfs/dbraw/zinc/38/80/35/160388035.db2.gz YRCOVSKFDPDPJC-UMVBOHGHSA-N 1 2 333.457 2.334 20 30 EEEDLO N#Cc1ccc(OC2C[NH+](C[C@@H](O)COc3ccccc3F)C2)cc1 ZINC000158561593 159707576 /nfs/dbraw/zinc/70/75/76/159707576.db2.gz BJURQAXCIGHREA-OAHLLOKOSA-N 1 2 342.370 2.200 20 30 EEEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000342873258 161097251 /nfs/dbraw/zinc/09/72/51/161097251.db2.gz UAHKQEQPAWOPSZ-GOSISDBHSA-N 1 2 336.395 2.313 20 30 EEEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(S(N)(=O)=O)c1 ZINC000428293548 287041021 /nfs/dbraw/zinc/04/10/21/287041021.db2.gz BYQIZAORJKYMJQ-LLVKDONJSA-N 1 2 333.388 2.196 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000369353999 166243880 /nfs/dbraw/zinc/24/38/80/166243880.db2.gz PPVBHMAHWJZWHX-OAHLLOKOSA-N 1 2 344.440 2.169 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H]3CC4(CCC4)C(=O)O3)CCO2)c1 ZINC000375458753 167138735 /nfs/dbraw/zinc/13/87/35/167138735.db2.gz QVAUCINJCZYSRW-IRXDYDNUSA-N 1 2 326.396 2.417 20 30 EEEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H]3CC4(CCC4)C(=O)O3)CCO2)c1 ZINC000375458753 167138738 /nfs/dbraw/zinc/13/87/38/167138738.db2.gz QVAUCINJCZYSRW-IRXDYDNUSA-N 1 2 326.396 2.417 20 30 EEEDLO N#Cc1ccsc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000123848826 222342029 /nfs/dbraw/zinc/34/20/29/222342029.db2.gz AJPIWAVAGMDKKT-HNNXBMFYSA-N 1 2 327.409 2.459 20 30 EEEDLO N#Cc1ccsc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000123848826 222342032 /nfs/dbraw/zinc/34/20/32/222342032.db2.gz AJPIWAVAGMDKKT-HNNXBMFYSA-N 1 2 327.409 2.459 20 30 EEEDLO Cc1cccc(S(=O)(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c1C#N ZINC000295246142 270018288 /nfs/dbraw/zinc/01/82/88/270018288.db2.gz JWZUNBZHSLWACY-OAHLLOKOSA-N 1 2 344.440 2.372 20 30 EEEDLO Cc1cnc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 ZINC000296845835 270018570 /nfs/dbraw/zinc/01/85/70/270018570.db2.gz OKRJGQDMTPZISV-HNNXBMFYSA-N 1 2 326.425 2.214 20 30 EEEDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000285665750 266168571 /nfs/dbraw/zinc/16/85/71/266168571.db2.gz QBNCEYXDRUIPSU-MRXNPFEDSA-N 1 2 344.415 2.097 20 30 EEEDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000285665750 266168575 /nfs/dbraw/zinc/16/85/75/266168575.db2.gz QBNCEYXDRUIPSU-MRXNPFEDSA-N 1 2 344.415 2.097 20 30 EEEDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000295443580 266358681 /nfs/dbraw/zinc/35/86/81/266358681.db2.gz WVZMDSDRIFFZBK-GFCCVEGCSA-N 1 2 341.864 2.316 20 30 EEEDLO C[C@@]1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCOC1=O ZINC000289493512 267118685 /nfs/dbraw/zinc/11/86/85/267118685.db2.gz JEZIMSKYJGPGBF-QGZVFWFLSA-N 1 2 347.440 2.122 20 30 EEEDLO Cc1cc(N(C)CCCN2C(=O)c3ccccc3C2=O)c(C#N)c[nH+]1 ZINC000425274853 268005198 /nfs/dbraw/zinc/00/51/98/268005198.db2.gz AQNVWLDDLFVTLJ-UHFFFAOYSA-N 1 2 334.379 2.384 20 30 EEEDLO N#Cc1ccc(N2CCC(Nc3cc(N4CCCC4)nc[nH+]3)CC2)nc1 ZINC000302884946 268108496 /nfs/dbraw/zinc/10/84/96/268108496.db2.gz KMRNEEWUBMIABK-UHFFFAOYSA-N 1 2 349.442 2.424 20 30 EEEDLO N#Cc1ccc(N2CCC(Nc3cc(N4CCCC4)[nH+]cn3)CC2)nc1 ZINC000302884946 268108497 /nfs/dbraw/zinc/10/84/97/268108497.db2.gz KMRNEEWUBMIABK-UHFFFAOYSA-N 1 2 349.442 2.424 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCc3ccccc3C2)nc1 ZINC000289862222 268187985 /nfs/dbraw/zinc/18/79/85/268187985.db2.gz BSCRGGBQTMWZNT-UHFFFAOYSA-N 1 2 341.436 2.175 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCc3ccccc3C2)nc1 ZINC000289862222 268187987 /nfs/dbraw/zinc/18/79/87/268187987.db2.gz BSCRGGBQTMWZNT-UHFFFAOYSA-N 1 2 341.436 2.175 20 30 EEEDLO N#Cc1ccc(CN2CCN(Cc3[nH]cc[nH+]3)CC2)c(OC(F)F)c1 ZINC000437158318 268221165 /nfs/dbraw/zinc/22/11/65/268221165.db2.gz YSSSKLVNPWXJLM-UHFFFAOYSA-N 1 2 347.369 2.201 20 30 EEEDLO N#Cc1cccc([N+](=O)[O-])c1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000425213318 268293014 /nfs/dbraw/zinc/29/30/14/268293014.db2.gz GSDFLSDXMJHJOH-INIZCTEOSA-N 1 2 348.428 2.086 20 30 EEEDLO N#Cc1ccc(NC(=O)NCC2([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000278074938 269207832 /nfs/dbraw/zinc/20/78/32/269207832.db2.gz ONWNOIGTBZCYNQ-UHFFFAOYSA-N 1 2 334.807 2.198 20 30 EEEDLO CC1(C)C[NH+]=C(N2CCN(c3nc4c(cc3C#N)CCC4)CC2)S1 ZINC000269373398 276137606 /nfs/dbraw/zinc/13/76/06/276137606.db2.gz SPCIGNKNRDYVRY-UHFFFAOYSA-N 1 2 341.484 2.445 20 30 EEEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121099638 290184745 /nfs/dbraw/zinc/18/47/45/290184745.db2.gz YZGPVOIIPGBXSO-YOEHRIQHSA-N 1 2 337.379 2.400 20 30 EEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C#N)c(Cl)c1 ZINC000552640610 318513684 /nfs/dbraw/zinc/51/36/84/318513684.db2.gz OZBAYVHFLXLMSG-WFASDCNBSA-N 1 2 333.819 2.147 20 30 EEEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000567095644 319347558 /nfs/dbraw/zinc/34/75/58/319347558.db2.gz NGDQYIGSRADSGS-RDJZCZTQSA-N 1 2 335.411 2.446 20 30 EEEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2cccc(Cl)c2)c1=O ZINC000573259609 319918243 /nfs/dbraw/zinc/91/82/43/319918243.db2.gz DYZBIFTWARHHKX-UHFFFAOYSA-N 1 2 343.814 2.254 20 30 EEEDLO Cn1cc(C#N)c(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000611944431 449483863 /nfs/dbraw/zinc/48/38/63/449483863.db2.gz NWJRCZSBEGUVKI-UHFFFAOYSA-N 1 2 341.419 2.213 20 30 EEEDLO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000184803667 465027252 /nfs/dbraw/zinc/02/72/52/465027252.db2.gz BGZIVTOBDGBIPE-CYBMUJFWSA-N 1 2 334.383 2.393 20 30 EEEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CCO[C@@H]1C1CC1)C2 ZINC000328844306 465145520 /nfs/dbraw/zinc/14/55/20/465145520.db2.gz QZGRHBFNNUHOAM-CZUORRHYSA-N 1 2 332.448 2.383 20 30 EEEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)[C@@H]2C1 ZINC000328829637 465141316 /nfs/dbraw/zinc/14/13/16/465141316.db2.gz KFWVREMXLZVFNP-KFWWJZLASA-N 1 2 348.399 2.272 20 30 EEEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)[C@@H]2C1 ZINC000328829637 465141318 /nfs/dbraw/zinc/14/13/18/465141318.db2.gz KFWVREMXLZVFNP-KFWWJZLASA-N 1 2 348.399 2.272 20 30 EEEDLO C[C@H](CNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)c1ccccc1 ZINC000328929091 465170828 /nfs/dbraw/zinc/17/08/28/465170828.db2.gz YIGJKTDPLYOPKH-IPYPFGDCSA-N 1 2 344.415 2.211 20 30 EEEDLO C[C@H](CNC(=O)[C@H](C)[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)c1ccccc1 ZINC000328929091 465170832 /nfs/dbraw/zinc/17/08/32/465170832.db2.gz YIGJKTDPLYOPKH-IPYPFGDCSA-N 1 2 344.415 2.211 20 30 EEEDLO COc1cc(CN2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)ccn1 ZINC000328943175 465176887 /nfs/dbraw/zinc/17/68/87/465176887.db2.gz UIMCWIGHEBEKQJ-OAHLLOKOSA-N 1 2 346.475 2.495 20 30 EEEDLO CCn1ccnc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000296603008 465227286 /nfs/dbraw/zinc/22/72/86/465227286.db2.gz XUYJGBXDPSDYNH-YOEHRIQHSA-N 1 2 337.427 2.226 20 30 EEEDLO C[C@@H]1C[C@H](NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CCO1 ZINC000329116723 465238353 /nfs/dbraw/zinc/23/83/53/465238353.db2.gz UESHWEZNMSBOHC-KBAYOESNSA-N 1 2 347.459 2.131 20 30 EEEDLO CC1(C)C[S@@](=O)CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000329156081 465249796 /nfs/dbraw/zinc/24/97/96/465249796.db2.gz BWZIHOGXZQVLLC-NRFANRHFSA-N 1 2 325.459 2.441 20 30 EEEDLO CC1(C)C[S@@](=O)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000329156081 465249800 /nfs/dbraw/zinc/24/98/00/465249800.db2.gz BWZIHOGXZQVLLC-NRFANRHFSA-N 1 2 325.459 2.441 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1ncccc1Br ZINC000414151073 467384512 /nfs/dbraw/zinc/38/45/12/467384512.db2.gz POSIGXJQAKPSJH-JTQLQIEISA-N 1 2 330.251 2.143 20 30 EEEDLO C#CCNC(=O)C1CC[NH+](Cc2noc(-c3ccccc3C)n2)CC1 ZINC000491069640 468294778 /nfs/dbraw/zinc/29/47/78/468294778.db2.gz XRZZCFINORRVND-UHFFFAOYSA-N 1 2 338.411 2.006 20 30 EEEDLO N#Cc1cc(F)c(NC[C@@]2([NH+]3CCOCC3)CCSC2)c(F)c1 ZINC000063508770 462650900 /nfs/dbraw/zinc/65/09/00/462650900.db2.gz ZXUSMYORFZZHLN-INIZCTEOSA-N 1 2 339.411 2.456 20 30 EEEDLO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046528258 462687328 /nfs/dbraw/zinc/68/73/28/462687328.db2.gz XNEJDWYSHFZOFG-AWEZNQCLSA-N 1 2 348.406 2.364 20 30 EEEDLO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046528258 462687331 /nfs/dbraw/zinc/68/73/31/462687331.db2.gz XNEJDWYSHFZOFG-AWEZNQCLSA-N 1 2 348.406 2.364 20 30 EEEDLO C#CC[N@@H+](C/C(C)=C\c1ccccc1COC)[C@H]1CCS(=O)(=O)C1 ZINC000491178780 468314993 /nfs/dbraw/zinc/31/49/93/468314993.db2.gz BGNJJULGNABDLN-UIRWJGRMSA-N 1 2 347.480 2.359 20 30 EEEDLO C#CC[N@H+](C/C(C)=C\c1ccccc1COC)[C@H]1CCS(=O)(=O)C1 ZINC000491178780 468314996 /nfs/dbraw/zinc/31/49/96/468314996.db2.gz BGNJJULGNABDLN-UIRWJGRMSA-N 1 2 347.480 2.359 20 30 EEEDLO C#CCCCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000089952044 462752603 /nfs/dbraw/zinc/75/26/03/462752603.db2.gz HPONZTVAYZTWTE-UHFFFAOYSA-N 1 2 338.411 2.309 20 30 EEEDLO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](CC#CCOC)CC1 ZINC000590747728 468323576 /nfs/dbraw/zinc/32/35/76/468323576.db2.gz YSIBNXMGVSEZLK-UHFFFAOYSA-N 1 2 343.423 2.164 20 30 EEEDLO C=CC[NH+](CC=C)CC(=O)N(C)CC(=O)Nc1ccccc1SC ZINC000133101681 462900414 /nfs/dbraw/zinc/90/04/14/462900414.db2.gz FAQTUAYRZQWHHN-UHFFFAOYSA-N 1 2 347.484 2.479 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000076748317 462907509 /nfs/dbraw/zinc/90/75/09/462907509.db2.gz PXHYKQITUZTUHY-MRXNPFEDSA-N 1 2 339.443 2.312 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000076748317 462907514 /nfs/dbraw/zinc/90/75/14/462907514.db2.gz PXHYKQITUZTUHY-MRXNPFEDSA-N 1 2 339.443 2.312 20 30 EEEDLO C=CCCOCC[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000155636986 462921304 /nfs/dbraw/zinc/92/13/04/462921304.db2.gz GUAPAQNYQOBAOQ-CYBMUJFWSA-N 1 2 345.212 2.297 20 30 EEEDLO C#CC[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)[C@@H]1CCS(=O)(=O)C1 ZINC000092193622 462932893 /nfs/dbraw/zinc/93/28/93/462932893.db2.gz JMMRTFNTPCBJSX-MRXNPFEDSA-N 1 2 333.453 2.022 20 30 EEEDLO C#CC[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)[C@@H]1CCS(=O)(=O)C1 ZINC000092193622 462932896 /nfs/dbraw/zinc/93/28/96/462932896.db2.gz JMMRTFNTPCBJSX-MRXNPFEDSA-N 1 2 333.453 2.022 20 30 EEEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000016628958 462984531 /nfs/dbraw/zinc/98/45/31/462984531.db2.gz SJPOQPSVGWOSQS-MRXNPFEDSA-N 1 2 337.379 2.269 20 30 EEEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000016628958 462984535 /nfs/dbraw/zinc/98/45/35/462984535.db2.gz SJPOQPSVGWOSQS-MRXNPFEDSA-N 1 2 337.379 2.269 20 30 EEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000120959252 463058940 /nfs/dbraw/zinc/05/89/40/463058940.db2.gz PVXKUJCIFPDMIS-KRWDZBQOSA-N 1 2 339.395 2.441 20 30 EEEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000120959252 463058944 /nfs/dbraw/zinc/05/89/44/463058944.db2.gz PVXKUJCIFPDMIS-KRWDZBQOSA-N 1 2 339.395 2.441 20 30 EEEDLO Cc1cccn2cc(CN3CCN(c4ccc(C#N)cn4)CC3)[nH+]c12 ZINC000052442370 463079697 /nfs/dbraw/zinc/07/96/97/463079697.db2.gz FMTRXRNZNRKSQG-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO Cc1cccn2cc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)nc12 ZINC000052442370 463079702 /nfs/dbraw/zinc/07/97/02/463079702.db2.gz FMTRXRNZNRKSQG-UHFFFAOYSA-N 1 2 332.411 2.232 20 30 EEEDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](CCC#N)CC(C)(C)C)C1 ZINC000157242122 463111659 /nfs/dbraw/zinc/11/16/59/463111659.db2.gz GNILJYDCBSDBKZ-HNNXBMFYSA-N 1 2 337.464 2.050 20 30 EEEDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](CCC#N)CC(C)(C)C)C1 ZINC000157242122 463111663 /nfs/dbraw/zinc/11/16/63/463111663.db2.gz GNILJYDCBSDBKZ-HNNXBMFYSA-N 1 2 337.464 2.050 20 30 EEEDLO CCc1nsc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)n1 ZINC000121590268 463163437 /nfs/dbraw/zinc/16/34/37/463163437.db2.gz DKJNBWAMNVLIER-UHFFFAOYSA-N 1 2 331.420 2.433 20 30 EEEDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000135574884 463178726 /nfs/dbraw/zinc/17/87/26/463178726.db2.gz XNUSDSXNNFANHR-CYBMUJFWSA-N 1 2 329.429 2.301 20 30 EEEDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000135574884 463178731 /nfs/dbraw/zinc/17/87/31/463178731.db2.gz XNUSDSXNNFANHR-CYBMUJFWSA-N 1 2 329.429 2.301 20 30 EEEDLO CCNc1nc(N[C@H](C)c2ccc(C#N)cc2)nc(NC(C)(C)C)[nH+]1 ZINC000552975037 468343426 /nfs/dbraw/zinc/34/34/26/468343426.db2.gz JIVKKVMFVKPQJQ-GFCCVEGCSA-N 1 2 339.447 2.402 20 30 EEEDLO CCNc1nc(NC(C)(C)C)nc(N[C@H](C)c2ccc(C#N)cc2)[nH+]1 ZINC000552975037 468343434 /nfs/dbraw/zinc/34/34/34/468343434.db2.gz JIVKKVMFVKPQJQ-GFCCVEGCSA-N 1 2 339.447 2.402 20 30 EEEDLO CCNc1nc(N[C@H](C)c2ccc(C#N)cc2)[nH+]c(NC(C)(C)C)n1 ZINC000552975037 468343439 /nfs/dbraw/zinc/34/34/39/468343439.db2.gz JIVKKVMFVKPQJQ-GFCCVEGCSA-N 1 2 339.447 2.402 20 30 EEEDLO CCc1ccccc1NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158223409 463217866 /nfs/dbraw/zinc/21/78/66/463217866.db2.gz JWEYTYXDMKKJAZ-UHFFFAOYSA-N 1 2 339.395 2.460 20 30 EEEDLO C=CCCO[C@H](C)C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000069353921 463234467 /nfs/dbraw/zinc/23/44/67/463234467.db2.gz YECOEAONLYOZSH-IEBWSBKVSA-N 1 2 346.471 2.466 20 30 EEEDLO Cc1cccc(C)c1NC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029443787 463257282 /nfs/dbraw/zinc/25/72/82/463257282.db2.gz WJGBATQYZPCELF-UHFFFAOYSA-N 1 2 349.438 2.331 20 30 EEEDLO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029859744 463276068 /nfs/dbraw/zinc/27/60/68/463276068.db2.gz RLPCYRFNNUUYHB-ZIAGYGMSSA-N 1 2 332.423 2.123 20 30 EEEDLO COCC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(C#N)cc1 ZINC000123427936 463341189 /nfs/dbraw/zinc/34/11/89/463341189.db2.gz ZKZQGISOQXEFSS-UHFFFAOYSA-N 1 2 329.444 2.409 20 30 EEEDLO COCC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(C#N)cc1 ZINC000123427936 463341197 /nfs/dbraw/zinc/34/11/97/463341197.db2.gz ZKZQGISOQXEFSS-UHFFFAOYSA-N 1 2 329.444 2.409 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cnn(C)c1 ZINC000161055915 463395351 /nfs/dbraw/zinc/39/53/51/463395351.db2.gz CUNDMLGHAFLOIV-HNNXBMFYSA-N 1 2 325.416 2.187 20 30 EEEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cnn(C)c1 ZINC000161055915 463395355 /nfs/dbraw/zinc/39/53/55/463395355.db2.gz CUNDMLGHAFLOIV-HNNXBMFYSA-N 1 2 325.416 2.187 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCC(=O)OC(C)(C)C ZINC000150860408 463442438 /nfs/dbraw/zinc/44/24/38/463442438.db2.gz JBHWVPAHECGHBZ-MRXNPFEDSA-N 1 2 332.400 2.436 20 30 EEEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000150860408 463442441 /nfs/dbraw/zinc/44/24/41/463442441.db2.gz JBHWVPAHECGHBZ-MRXNPFEDSA-N 1 2 332.400 2.436 20 30 EEEDLO CCC[C@H](C)NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354530 463559473 /nfs/dbraw/zinc/55/94/73/463559473.db2.gz YZGUAMRWLVDODW-IRXDYDNUSA-N 1 2 342.487 2.369 20 30 EEEDLO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000042354530 463559480 /nfs/dbraw/zinc/55/94/80/463559480.db2.gz YZGUAMRWLVDODW-IRXDYDNUSA-N 1 2 342.487 2.369 20 30 EEEDLO CCC(CC)NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354518 463559575 /nfs/dbraw/zinc/55/95/75/463559575.db2.gz MRSSAPOPMLVBMT-INIZCTEOSA-N 1 2 342.487 2.369 20 30 EEEDLO CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000042354518 463559577 /nfs/dbraw/zinc/55/95/77/463559577.db2.gz MRSSAPOPMLVBMT-INIZCTEOSA-N 1 2 342.487 2.369 20 30 EEEDLO N#Cc1ccc(OCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000058290752 463570950 /nfs/dbraw/zinc/57/09/50/463570950.db2.gz UVPRKVLRJVINFY-UHFFFAOYSA-N 1 2 332.363 2.439 20 30 EEEDLO C=CCc1ccc(OCC(=O)N[C@@H](C)Cn2cc[nH+]c2)c(OC)c1 ZINC000042511184 463571702 /nfs/dbraw/zinc/57/17/02/463571702.db2.gz WNFJOEGIJRSGJM-AWEZNQCLSA-N 1 2 329.400 2.204 20 30 EEEDLO COc1cccc(C(N)=[NH+]OCC(=O)NCc2sccc2C)c1 ZINC000151896689 463609063 /nfs/dbraw/zinc/60/90/63/463609063.db2.gz CSTOCMUZOJTYOR-UHFFFAOYSA-N 1 2 333.413 2.018 20 30 EEEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152446313 463691681 /nfs/dbraw/zinc/69/16/81/463691681.db2.gz NQQYNJPRUCSMTF-GDBMZVCRSA-N 1 2 336.395 2.116 20 30 EEEDLO Cc1ncc(C[N@@H+](C)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)s1 ZINC000170874157 463729990 /nfs/dbraw/zinc/72/99/90/463729990.db2.gz LEPIDBGSKZTEIU-OAHLLOKOSA-N 1 2 340.408 2.087 20 30 EEEDLO Cc1ncc(C[N@H+](C)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)s1 ZINC000170874157 463729995 /nfs/dbraw/zinc/72/99/95/463729995.db2.gz LEPIDBGSKZTEIU-OAHLLOKOSA-N 1 2 340.408 2.087 20 30 EEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCOc3cc[nH+]cc32)c1 ZINC000185085124 463749809 /nfs/dbraw/zinc/74/98/09/463749809.db2.gz JCVIRNULOUWVGG-UHFFFAOYSA-N 1 2 335.772 2.194 20 30 EEEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(OC)c1 ZINC000193853756 463749932 /nfs/dbraw/zinc/74/99/32/463749932.db2.gz ULFOCOUWIVKFOU-UHFFFAOYSA-N 1 2 338.411 2.293 20 30 EEEDLO CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000276774381 463752479 /nfs/dbraw/zinc/75/24/79/463752479.db2.gz IQVQSZVUTRVILK-HNNXBMFYSA-N 1 2 330.432 2.196 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278859859 464001344 /nfs/dbraw/zinc/00/13/44/464001344.db2.gz MXGRLWYHGXXPFQ-GJZGRUSLSA-N 1 2 348.422 2.072 20 30 EEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278859859 464001347 /nfs/dbraw/zinc/00/13/47/464001347.db2.gz MXGRLWYHGXXPFQ-GJZGRUSLSA-N 1 2 348.422 2.072 20 30 EEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000289731226 464093073 /nfs/dbraw/zinc/09/30/73/464093073.db2.gz KBJKFCAXPJRUID-SWLSCSKDSA-N 1 2 332.379 2.024 20 30 EEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NCc2ccccc2F)n1 ZINC000279659955 464123152 /nfs/dbraw/zinc/12/31/52/464123152.db2.gz CPVJLDRDTJZXQK-OAHLLOKOSA-N 1 2 342.418 2.182 20 30 EEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NCc2ccccc2F)n1 ZINC000279659955 464123160 /nfs/dbraw/zinc/12/31/60/464123160.db2.gz CPVJLDRDTJZXQK-OAHLLOKOSA-N 1 2 342.418 2.182 20 30 EEEDLO C#Cc1ccccc1CC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000290902996 464136760 /nfs/dbraw/zinc/13/67/60/464136760.db2.gz VUTAEZCXILALFO-UHFFFAOYSA-N 1 2 339.464 2.320 20 30 EEEDLO C[C@H](NC(=O)[C@H](C)O[NH+]=C(N)[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000284410406 464182540 /nfs/dbraw/zinc/18/25/40/464182540.db2.gz NNTYIAVEKOMONA-MJVIPROJSA-N 1 2 339.823 2.374 20 30 EEEDLO N#CCC1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000543838374 468398819 /nfs/dbraw/zinc/39/88/19/468398819.db2.gz FNKZDQFJNRINOV-UHFFFAOYSA-N 1 2 327.428 2.285 20 30 EEEDLO COC(=O)c1coc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000263827228 464208330 /nfs/dbraw/zinc/20/83/30/464208330.db2.gz STMPPAPHSGTSGJ-UHFFFAOYSA-N 1 2 339.395 2.256 20 30 EEEDLO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](CCC#N)CC3)cc2NC1=O ZINC000263863134 464218883 /nfs/dbraw/zinc/21/88/83/464218883.db2.gz AOCQYWSWACNLPV-LBPRGKRZSA-N 1 2 327.384 2.214 20 30 EEEDLO C=CCC[C@@H]([NH2+]Cc1nc(CS(C)(=O)=O)no1)c1ccccc1 ZINC000180048570 464231657 /nfs/dbraw/zinc/23/16/57/464231657.db2.gz WRJVPBAAPJJGSQ-CQSZACIVSA-N 1 2 335.429 2.411 20 30 EEEDLO N#CCc1ccc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000270405668 464255086 /nfs/dbraw/zinc/25/50/86/464255086.db2.gz WFBTZSDXHVHZJK-UHFFFAOYSA-N 1 2 335.407 2.416 20 30 EEEDLO CNc1cc(N2CCC[C@H]2CNC(=O)C2(C#N)CCCCC2)nc[nH+]1 ZINC000173447096 464261885 /nfs/dbraw/zinc/26/18/85/464261885.db2.gz TXGAPEJCHMZSKW-AWEZNQCLSA-N 1 2 342.447 2.077 20 30 EEEDLO CNc1cc(N2CCC[C@H]2CNC(=O)C2(C#N)CCCCC2)[nH+]cn1 ZINC000173447096 464261892 /nfs/dbraw/zinc/26/18/92/464261892.db2.gz TXGAPEJCHMZSKW-AWEZNQCLSA-N 1 2 342.447 2.077 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173653234 464301686 /nfs/dbraw/zinc/30/16/86/464301686.db2.gz LKXCJTIWKZHKQN-GOEBONIOSA-N 1 2 329.448 2.288 20 30 EEEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173653234 464301689 /nfs/dbraw/zinc/30/16/89/464301689.db2.gz LKXCJTIWKZHKQN-GOEBONIOSA-N 1 2 329.448 2.288 20 30 EEEDLO C=C1CC[NH+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000264493087 464347775 /nfs/dbraw/zinc/34/77/75/464347775.db2.gz TWZSVCDCLCARBS-UHFFFAOYSA-N 1 2 345.399 2.148 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)N(C)Cc2ccccc2C)C1=O ZINC000281212978 464374238 /nfs/dbraw/zinc/37/42/38/464374238.db2.gz DHNKYCBTAKOUNH-SJLPKXTDSA-N 1 2 343.471 2.061 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)N(C)Cc2ccccc2C)C1=O ZINC000281212978 464374243 /nfs/dbraw/zinc/37/42/43/464374243.db2.gz DHNKYCBTAKOUNH-SJLPKXTDSA-N 1 2 343.471 2.061 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2)C1=O ZINC000281253847 464388066 /nfs/dbraw/zinc/38/80/66/464388066.db2.gz GZJLOAGFKCLGFY-IUODEOHRSA-N 1 2 335.835 2.386 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2)C1=O ZINC000281253847 464388069 /nfs/dbraw/zinc/38/80/69/464388069.db2.gz GZJLOAGFKCLGFY-IUODEOHRSA-N 1 2 335.835 2.386 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C)c2C)C1=O ZINC000281314735 464410761 /nfs/dbraw/zinc/41/07/61/464410761.db2.gz KUBFEWRSGSJTPI-DOTOQJQBSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2cccc(C)c2C)C1=O ZINC000281314735 464410767 /nfs/dbraw/zinc/41/07/67/464410767.db2.gz KUBFEWRSGSJTPI-DOTOQJQBSA-N 1 2 329.444 2.349 20 30 EEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(OC4CCC4)c(F)c3)C[C@H]21 ZINC000329917618 465474413 /nfs/dbraw/zinc/47/44/13/465474413.db2.gz FMNDGQPRPYRKIS-NVXWUHKLSA-N 1 2 349.406 2.317 20 30 EEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(OC4CCC4)c(F)c3)C[C@H]21 ZINC000329917618 465474414 /nfs/dbraw/zinc/47/44/14/465474414.db2.gz FMNDGQPRPYRKIS-NVXWUHKLSA-N 1 2 349.406 2.317 20 30 EEEDLO N#CCC[N@H+](CCSCc1ccccc1)CCN1CCOCC1 ZINC000190041272 464590199 /nfs/dbraw/zinc/59/01/99/464590199.db2.gz NVJZXPMGPDSPCR-UHFFFAOYSA-N 1 2 333.501 2.468 20 30 EEEDLO N#CCC[N@@H+](CCSCc1ccccc1)CCN1CCOCC1 ZINC000190041272 464590204 /nfs/dbraw/zinc/59/02/04/464590204.db2.gz NVJZXPMGPDSPCR-UHFFFAOYSA-N 1 2 333.501 2.468 20 30 EEEDLO C=CC[NH+](CC=C)Cc1nc2oc(C)c(C(=O)OCC)c2c(N)n1 ZINC000175718155 464608224 /nfs/dbraw/zinc/60/82/24/464608224.db2.gz ILQGPTOGXUGHIH-UHFFFAOYSA-N 1 2 330.388 2.464 20 30 EEEDLO C=CCN(CCc1ccco1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000272438904 464608756 /nfs/dbraw/zinc/60/87/56/464608756.db2.gz KSZAVISHFCLFPF-UHFFFAOYSA-N 1 2 335.448 2.131 20 30 EEEDLO Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)Cc2[nH+]ccn2C)c1 ZINC000272592656 464672159 /nfs/dbraw/zinc/67/21/59/464672159.db2.gz PPTJWPJTOOAZGT-UHFFFAOYSA-N 1 2 339.443 2.416 20 30 EEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2CCCOCC2)CC1=O ZINC000182702129 464712322 /nfs/dbraw/zinc/71/23/22/464712322.db2.gz WRNBNNJCYBYHDP-CYBMUJFWSA-N 1 2 340.427 2.215 20 30 EEEDLO CCOc1ccccc1NC(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000266240097 464769683 /nfs/dbraw/zinc/76/96/83/464769683.db2.gz WVZAGIXYIIVHLA-CYBMUJFWSA-N 1 2 337.420 2.374 20 30 EEEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc(OCC(F)(F)F)cc1 ZINC000266329190 464771964 /nfs/dbraw/zinc/77/19/64/464771964.db2.gz SSKHAHVCIAEGBU-UHFFFAOYSA-N 1 2 347.337 2.331 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000275661644 464784140 /nfs/dbraw/zinc/78/41/40/464784140.db2.gz OXVKZISWPBJAQG-STQMWFEESA-N 1 2 333.461 2.131 20 30 EEEDLO CCc1ccc([C@H]2C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CCO2)cc1 ZINC000248696569 464789335 /nfs/dbraw/zinc/78/93/35/464789335.db2.gz CNMPKFZRUOKLOO-CRAIPNDOSA-N 1 2 329.444 2.383 20 30 EEEDLO CCc1ccc([C@H]2C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CCO2)cc1 ZINC000248696569 464789343 /nfs/dbraw/zinc/78/93/43/464789343.db2.gz CNMPKFZRUOKLOO-CRAIPNDOSA-N 1 2 329.444 2.383 20 30 EEEDLO COc1ccc(C[N@H+](C)CC(=O)NCc2ccc(C#N)cc2)cc1O ZINC000266885696 464858665 /nfs/dbraw/zinc/85/86/65/464858665.db2.gz BEVMFJZGFXGQLE-UHFFFAOYSA-N 1 2 339.395 2.021 20 30 EEEDLO COc1ccc(C[N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)cc1O ZINC000266885696 464858672 /nfs/dbraw/zinc/85/86/72/464858672.db2.gz BEVMFJZGFXGQLE-UHFFFAOYSA-N 1 2 339.395 2.021 20 30 EEEDLO C=CCOc1cccnc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000342463335 465322183 /nfs/dbraw/zinc/32/21/83/465322183.db2.gz NVKNNWBLHGAJMZ-UHFFFAOYSA-N 1 2 330.413 2.343 20 30 EEEDLO C=CCOc1cccnc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000342463335 465322188 /nfs/dbraw/zinc/32/21/88/465322188.db2.gz NVKNNWBLHGAJMZ-UHFFFAOYSA-N 1 2 330.413 2.343 20 30 EEEDLO Cc1cccc2c1OC[C@H]([NH+]=C([O-])N[C@H]1CCn3cc[nH+]c3C1)C2 ZINC000329646547 465397726 /nfs/dbraw/zinc/39/77/26/465397726.db2.gz IYDBRDYFGMAHMP-LSDHHAIUSA-N 1 2 326.400 2.014 20 30 EEEDLO Cc1cccc2c1OC[C@H](NC([O-])=[NH+][C@H]1CCn3cc[nH+]c3C1)C2 ZINC000329646547 465397732 /nfs/dbraw/zinc/39/77/32/465397732.db2.gz IYDBRDYFGMAHMP-LSDHHAIUSA-N 1 2 326.400 2.014 20 30 EEEDLO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548317369 468432946 /nfs/dbraw/zinc/43/29/46/468432946.db2.gz AJCVIUVOKPNRLB-CYBMUJFWSA-N 1 2 327.384 2.201 20 30 EEEDLO Cc1cnn(CC2CCN(C([O-])=[NH+][C@H]3CCc4[nH+]c[nH]c4C3)CC2)c1 ZINC000329750314 465421833 /nfs/dbraw/zinc/42/18/33/465421833.db2.gz UYGOSVBZBRCQNX-HNNXBMFYSA-N 1 2 342.447 2.098 20 30 EEEDLO Cc1cc(NC(=O)N2CC(=O)N(C)C2)c[nH+]c1N1CCCC[C@H]1C ZINC000329862710 465455223 /nfs/dbraw/zinc/45/52/23/465455223.db2.gz YRJQMJXZDWDENT-CYBMUJFWSA-N 1 2 331.420 2.046 20 30 EEEDLO Cn1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)c([C@H]2CCOC2)n1 ZINC000329866955 465457597 /nfs/dbraw/zinc/45/75/97/465457597.db2.gz VICVHBJZNNCLQB-ZDUSSCGKSA-N 1 2 343.431 2.004 20 30 EEEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)NCCc1ccc(F)cc1)CCO2 ZINC000329923022 465475123 /nfs/dbraw/zinc/47/51/23/465475123.db2.gz GSTOUJFLZBFPMG-KSSFIOAISA-N 1 2 336.407 2.205 20 30 EEEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)NCCc1ccc(F)cc1)CCO2 ZINC000329923022 465475129 /nfs/dbraw/zinc/47/51/29/465475129.db2.gz GSTOUJFLZBFPMG-KSSFIOAISA-N 1 2 336.407 2.205 20 30 EEEDLO C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C[C@@H](C2CC2)O1 ZINC000329954546 465486828 /nfs/dbraw/zinc/48/68/28/465486828.db2.gz NVEKKRZUUZKGQA-SIIHOXLZSA-N 1 2 346.427 2.282 20 30 EEEDLO C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C[C@@H](C2CC2)O1 ZINC000329954546 465486832 /nfs/dbraw/zinc/48/68/32/465486832.db2.gz NVEKKRZUUZKGQA-SIIHOXLZSA-N 1 2 346.427 2.282 20 30 EEEDLO C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1noc(Cc2ccccc2)n1 ZINC000348311457 465544828 /nfs/dbraw/zinc/54/48/28/465544828.db2.gz WAQVXGFYAGGQHL-CQSZACIVSA-N 1 2 341.415 2.073 20 30 EEEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCN2CCCC2=O)CC1 ZINC000348328707 465553205 /nfs/dbraw/zinc/55/32/05/465553205.db2.gz VPRZMUVYPCXPAB-KRWDZBQOSA-N 1 2 346.862 2.145 20 30 EEEDLO N#CC1(CS(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCCC1 ZINC000352875809 465562580 /nfs/dbraw/zinc/56/25/80/465562580.db2.gz ZFJVOCKNBMQOLG-UHFFFAOYSA-N 1 2 344.440 2.376 20 30 EEEDLO C=C[C@](C)(O)CC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000352921473 465568345 /nfs/dbraw/zinc/56/83/45/465568345.db2.gz KCTSAEPANMASMQ-AWEZNQCLSA-N 1 2 338.205 2.040 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000360751360 465607349 /nfs/dbraw/zinc/60/73/49/465607349.db2.gz ALOGKOVSNMCLFD-UHFFFAOYSA-N 1 2 333.819 2.441 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000360751360 465607355 /nfs/dbraw/zinc/60/73/55/465607355.db2.gz ALOGKOVSNMCLFD-UHFFFAOYSA-N 1 2 333.819 2.441 20 30 EEEDLO CCN1CCN(C(=O)NCC2CCSCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330320433 465611806 /nfs/dbraw/zinc/61/18/06/465611806.db2.gz FCEIYSDIRVHEQD-CQSZACIVSA-N 1 2 337.493 2.146 20 30 EEEDLO CC(C)c1nnc(CN2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)[nH]1 ZINC000330334962 465619433 /nfs/dbraw/zinc/61/94/33/465619433.db2.gz YWCWXVBAXOFLTK-CQSZACIVSA-N 1 2 348.495 2.333 20 30 EEEDLO Cc1c(C#N)cccc1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000337913175 465677524 /nfs/dbraw/zinc/67/75/24/465677524.db2.gz ZRRPEFDFJGXTGV-UHFFFAOYSA-N 1 2 336.395 2.028 20 30 EEEDLO Cc1cc(N(C)C[C@H]2C[C@H](F)C[N@@H+]2Cc2ccnn2C)cc(C#N)n1 ZINC000361006803 465696618 /nfs/dbraw/zinc/69/66/18/465696618.db2.gz LMDNGTVIXMGNOW-KBXCAEBGSA-N 1 2 342.422 2.044 20 30 EEEDLO Cc1cc(N(C)C[C@H]2C[C@H](F)C[N@H+]2Cc2ccnn2C)cc(C#N)n1 ZINC000361006803 465696622 /nfs/dbraw/zinc/69/66/22/465696622.db2.gz LMDNGTVIXMGNOW-KBXCAEBGSA-N 1 2 342.422 2.044 20 30 EEEDLO CN(C)c1ccc(CNC(=O)NCC#Cc2cccc(F)c2)c[nH+]1 ZINC000338005243 465744154 /nfs/dbraw/zinc/74/41/54/465744154.db2.gz WRERESWXKOFXDM-UHFFFAOYSA-N 1 2 326.375 2.138 20 30 EEEDLO Cc1nc(C(=O)N[C@H](C)C[NH+]2CCOCC2)c(Br)s1 ZINC000330702218 465769208 /nfs/dbraw/zinc/76/92/08/465769208.db2.gz JWBZDLANDCNFBU-MRVPVSSYSA-N 1 2 348.266 2.239 20 30 EEEDLO CCc1c[nH+]ccc1NC(=O)[C@@H](NC(=O)N1CCCC1)[C@@H](C)CC ZINC000330844149 465826240 /nfs/dbraw/zinc/82/62/40/465826240.db2.gz UKGYYWIWIJADTP-BBRMVZONSA-N 1 2 332.448 2.429 20 30 EEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000330992464 465888101 /nfs/dbraw/zinc/88/81/01/465888101.db2.gz STPMRUVMNUHVCU-UHFFFAOYSA-N 1 2 340.355 2.171 20 30 EEEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000330992464 465888117 /nfs/dbraw/zinc/88/81/17/465888117.db2.gz STPMRUVMNUHVCU-UHFFFAOYSA-N 1 2 340.355 2.171 20 30 EEEDLO Cc1cnc(N2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)s1 ZINC000331147007 465954906 /nfs/dbraw/zinc/95/49/06/465954906.db2.gz MLTCNEQYQVPZOQ-YOEHRIQHSA-N 1 2 349.504 2.017 20 30 EEEDLO Cc1nn(CC(F)(F)F)cc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000331355108 466044747 /nfs/dbraw/zinc/04/47/47/466044747.db2.gz QFUXLRISEXGTNU-UHFFFAOYSA-N 1 2 348.369 2.169 20 30 EEEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC#Cc1cccc(F)c1 ZINC000346601913 466115834 /nfs/dbraw/zinc/11/58/34/466115834.db2.gz CKTLJOQXJIYMHK-CRAIPNDOSA-N 1 2 337.398 2.461 20 30 EEEDLO C=C(CC)CNC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000580408258 468475972 /nfs/dbraw/zinc/47/59/72/468475972.db2.gz VJTJEQOMDNMVQI-UHFFFAOYSA-N 1 2 345.443 2.251 20 30 EEEDLO CC#CCCNC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000361647276 466175998 /nfs/dbraw/zinc/17/59/98/466175998.db2.gz KMSNAIHGNIHIPG-GOSISDBHSA-N 1 2 343.471 2.332 20 30 EEEDLO CC[N@H+](CCCNC(=O)Cc1noc(C)c1C#N)c1ccccc1 ZINC000353867952 466214644 /nfs/dbraw/zinc/21/46/44/466214644.db2.gz FYDJFPJEKWPOSK-UHFFFAOYSA-N 1 2 326.400 2.430 20 30 EEEDLO CC[N@@H+](CCCNC(=O)Cc1noc(C)c1C#N)c1ccccc1 ZINC000353867952 466214651 /nfs/dbraw/zinc/21/46/51/466214651.db2.gz FYDJFPJEKWPOSK-UHFFFAOYSA-N 1 2 326.400 2.430 20 30 EEEDLO CC1CCC(NC(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)CC1 ZINC000332051093 466363316 /nfs/dbraw/zinc/36/33/16/466363316.db2.gz LVYJYYCQTVDCEE-UHFFFAOYSA-N 1 2 340.471 2.375 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000340976883 466482602 /nfs/dbraw/zinc/48/26/02/466482602.db2.gz BKTZAPLACPPCER-CQSZACIVSA-N 1 2 345.443 2.070 20 30 EEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000340976883 466482606 /nfs/dbraw/zinc/48/26/06/466482606.db2.gz BKTZAPLACPPCER-CQSZACIVSA-N 1 2 345.443 2.070 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372993519 466657735 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MEUOXLNQXJQUJC-UHFFFAOYSA-N 1 2 347.440 2.123 20 30 EEEDLO C#CCSCCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000153936849 527143481 /nfs/dbraw/zinc/14/34/81/527143481.db2.gz AGRLCYCPTGSFRO-UHFFFAOYSA-N 1 2 332.404 2.177 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000178269438 527633965 /nfs/dbraw/zinc/63/39/65/527633965.db2.gz IVFGXDZNEXCUAY-UONOGXRCSA-N 1 2 333.398 2.144 20 30 EEEDLO COc1ccc(C#N)cc1C[NH+]1CCN(Cc2cscn2)CC1 ZINC000446835111 536643037 /nfs/dbraw/zinc/64/30/37/536643037.db2.gz ZZLHIWNQZDKUOE-UHFFFAOYSA-N 1 2 328.441 2.341 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000733163846 577205974 /nfs/dbraw/zinc/20/59/74/577205974.db2.gz VWSKAUDUKIOQKE-UHFFFAOYSA-N 1 2 328.415 2.477 20 30 EEEDLO CCn1c(=O)c2ccccc2nc1NN=Cc1c[nH+]ccc1N(C)C ZINC000776186124 577454128 /nfs/dbraw/zinc/45/41/28/577454128.db2.gz UIRWIULDKIWKFQ-UHFFFAOYSA-N 1 2 336.399 2.323 20 30 EEEDLO C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1[nH+]ccn1C ZINC000777116716 577473517 /nfs/dbraw/zinc/47/35/17/577473517.db2.gz VWGOGNPJBLVRJS-ZDUSSCGKSA-N 1 2 325.416 2.426 20 30 EEEDLO CSCCNC(=S)NN=C(C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000769604433 577581278 /nfs/dbraw/zinc/58/12/78/577581278.db2.gz JVPWDIHIVXVXTQ-UHFFFAOYSA-N 1 2 333.486 2.423 20 30 EEEDLO N#Cc1cccn(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)c1=O ZINC000758179701 577617677 /nfs/dbraw/zinc/61/76/77/577617677.db2.gz WWXQQPUEEHCAEO-UHFFFAOYSA-N 1 2 342.830 2.149 20 30 EEEDLO COCC[N@@H+](Cc1ccc(C)cc1C)Cn1cccc(C#N)c1=O ZINC000758211639 577618738 /nfs/dbraw/zinc/61/87/38/577618738.db2.gz XDPLVCHYEKOWQE-UHFFFAOYSA-N 1 2 325.412 2.443 20 30 EEEDLO COCC[N@H+](Cc1ccc(C)cc1C)Cn1cccc(C#N)c1=O ZINC000758211639 577618739 /nfs/dbraw/zinc/61/87/39/577618739.db2.gz XDPLVCHYEKOWQE-UHFFFAOYSA-N 1 2 325.412 2.443 20 30 EEEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C2CC(F)(F)C2)CC1=O ZINC000760989849 577673731 /nfs/dbraw/zinc/67/37/31/577673731.db2.gz QPGPGTVKVUXLCH-UHFFFAOYSA-N 1 2 332.354 2.444 20 30 EEEDLO COc1nccnc1N=NC(C)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000763413109 577720804 /nfs/dbraw/zinc/72/08/04/577720804.db2.gz XQPNMHNETWQWMW-INIZCTEOSA-N 1 2 341.415 2.347 20 30 EEEDLO CCC(=NNC(=S)NCC[NH+]1CCOCC1)C1CCCCC1 ZINC000750919284 577745075 /nfs/dbraw/zinc/74/50/75/577745075.db2.gz ZMWWCUSYKWGKPE-UHFFFAOYSA-N 1 2 326.510 2.129 20 30 EEEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(c4nc[nH]n4)CC3)o2)cc1 ZINC000751500559 577754342 /nfs/dbraw/zinc/75/43/42/577754342.db2.gz BOACZMRSKCWCLU-UHFFFAOYSA-N 1 2 335.371 2.106 20 30 EEEDLO O=[N+]([O-])c1cccc(N[NH+]=Cc2cnc(N3CCOCC3)s2)c1 ZINC000755481526 577825608 /nfs/dbraw/zinc/82/56/08/577825608.db2.gz KYDQAAHCJXLEKK-UHFFFAOYSA-N 1 2 333.373 2.334 20 30 EEEDLO CC(C)N(CC(F)(F)F)C(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000742353017 577871506 /nfs/dbraw/zinc/87/15/06/577871506.db2.gz KRIPPSDMAORUHS-UHFFFAOYSA-N 1 2 335.301 2.262 20 30 EEEDLO CCc1ccc(N2CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000744422309 577897558 /nfs/dbraw/zinc/89/75/58/577897558.db2.gz APTQCRBKXVMBBU-FQEVSTJZSA-N 1 2 348.450 2.469 20 30 EEEDLO C=CCn1nnn(C[N@@H+](CCC)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1=S ZINC000740857396 578108052 /nfs/dbraw/zinc/10/80/52/578108052.db2.gz CRHATGBKBBQMOX-BFHYXJOUSA-N 1 2 337.493 2.478 20 30 EEEDLO C=CCn1nnn(C[N@H+](CCC)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1=S ZINC000740857396 578108053 /nfs/dbraw/zinc/10/80/53/578108053.db2.gz CRHATGBKBBQMOX-BFHYXJOUSA-N 1 2 337.493 2.478 20 30 EEEDLO C[C@@H](NC(=O)c1ccn[nH]1)C1C[NH+](CC#Cc2ccccc2Cl)C1 ZINC000969332135 674849457 /nfs/dbraw/zinc/84/94/57/674849457.db2.gz IWNPHWSYYHZYKK-CYBMUJFWSA-N 1 2 342.830 2.165 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nsc(N(C)C)n3)C2)CC1 ZINC001020544506 675046705 /nfs/dbraw/zinc/04/67/05/675046705.db2.gz SGIMGUCHWWLACQ-HDJSIYSDSA-N 1 2 349.504 2.087 20 30 EEEDLO C[C@@H](NC(=O)c1ccn(C)c1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969492324 675073535 /nfs/dbraw/zinc/07/35/35/675073535.db2.gz BNOAXOALAQHZSZ-CYBMUJFWSA-N 1 2 340.402 2.286 20 30 EEEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](Cc2cc(F)ccc2F)C1 ZINC000969514826 675081745 /nfs/dbraw/zinc/08/17/45/675081745.db2.gz TWJHGXKIOPPIBI-LLVKDONJSA-N 1 2 344.365 2.415 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC000969516106 675082012 /nfs/dbraw/zinc/08/20/12/675082012.db2.gz QFQQWZPRWDWCIV-ZRGWGRIASA-N 1 2 344.459 2.065 20 30 EEEDLO CC(C)c1ocnc1C[NH+]1CC([C@@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000969513731 675085188 /nfs/dbraw/zinc/08/51/88/675085188.db2.gz GLACJOQKVCDUPC-GFCCVEGCSA-N 1 2 341.415 2.248 20 30 EEEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](Cc2cccc(F)c2F)C1 ZINC000969513224 675084911 /nfs/dbraw/zinc/08/49/11/675084911.db2.gz AUPILPJVMDRIDD-NSHDSACASA-N 1 2 344.365 2.415 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nn(C)cc3Cl)C2)cc1 ZINC000969545397 675100197 /nfs/dbraw/zinc/10/01/97/675100197.db2.gz BJFLIXRTBNDIEU-OAHLLOKOSA-N 1 2 342.830 2.059 20 30 EEEDLO Cc1conc1C(=O)N[C@@H](C)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970703543 676091132 /nfs/dbraw/zinc/09/11/32/676091132.db2.gz VIXSSCVIMOIVCR-LBPRGKRZSA-N 1 2 342.374 2.244 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000970753344 676124667 /nfs/dbraw/zinc/12/46/67/676124667.db2.gz IWYNIRFNNLJSFW-ZDUSSCGKSA-N 1 2 349.862 2.191 20 30 EEEDLO C[C@H](NC(=O)c1ccns1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969772298 675199341 /nfs/dbraw/zinc/19/93/41/675199341.db2.gz IDZPEUCIZHYJJM-NSHDSACASA-N 1 2 344.415 2.404 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2[nH]cnc2C(F)(F)F)C1 ZINC000969836905 675239566 /nfs/dbraw/zinc/23/95/66/675239566.db2.gz OSQINDHSKCAYDE-MRVPVSSYSA-N 1 2 336.745 2.231 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2c(C)[nH]cc2NC(C)=O)C1 ZINC000970006889 675379534 /nfs/dbraw/zinc/37/95/34/675379534.db2.gz JBYPDPJROGAMKD-SNVBAGLBSA-N 1 2 338.839 2.084 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC000970016619 675383679 /nfs/dbraw/zinc/38/36/79/675383679.db2.gz FVPWAULENWGMJR-KFWWJZLASA-N 1 2 347.459 2.254 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1csc(C)n1 ZINC000961580424 675385477 /nfs/dbraw/zinc/38/54/77/675385477.db2.gz BYLQJLDQCIAJFH-IAZYJMLFSA-N 1 2 342.262 2.020 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1csc(C)n1 ZINC000961580424 675385479 /nfs/dbraw/zinc/38/54/79/675385479.db2.gz BYLQJLDQCIAJFH-IAZYJMLFSA-N 1 2 342.262 2.020 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC000970241043 675737497 /nfs/dbraw/zinc/73/74/97/675737497.db2.gz ZCJHAMGVOLZFOJ-ZDUSSCGKSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(-n3cccn3)ccn2)C1 ZINC000970413282 675858223 /nfs/dbraw/zinc/85/82/23/675858223.db2.gz WYTWDIIWBHJSIQ-ZDUSSCGKSA-N 1 2 345.834 2.070 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)cccc3F)C2)C1 ZINC000972699832 679664396 /nfs/dbraw/zinc/66/43/96/679664396.db2.gz PONLNESJTCDXHO-LJQANCHMSA-N 1 2 330.403 2.074 20 30 EEEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)cccc3F)C2)C1 ZINC000972699832 679664397 /nfs/dbraw/zinc/66/43/97/679664397.db2.gz PONLNESJTCDXHO-LJQANCHMSA-N 1 2 330.403 2.074 20 30 EEEDLO C[N@H+](Cc1csc(C2CC2)n1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971513891 676607074 /nfs/dbraw/zinc/60/70/74/676607074.db2.gz QBFYTIREUZCKJJ-INIZCTEOSA-N 1 2 329.469 2.467 20 30 EEEDLO C[N@@H+](Cc1csc(C2CC2)n1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971513891 676607075 /nfs/dbraw/zinc/60/70/75/676607075.db2.gz QBFYTIREUZCKJJ-INIZCTEOSA-N 1 2 329.469 2.467 20 30 EEEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc(OCCC)c3)C2)C1 ZINC000972404883 678689690 /nfs/dbraw/zinc/68/96/90/678689690.db2.gz ARBHDPHOUHNBSM-HXUWFJFHSA-N 1 2 342.439 2.026 20 30 EEEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc(OCCC)c3)C2)C1 ZINC000972404883 678689692 /nfs/dbraw/zinc/68/96/92/678689692.db2.gz ARBHDPHOUHNBSM-HXUWFJFHSA-N 1 2 342.439 2.026 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(c4ccc(F)cc4)CC3)C2)C1 ZINC000972407532 678696539 /nfs/dbraw/zinc/69/65/39/678696539.db2.gz KVABHICBRDUZKD-LJQANCHMSA-N 1 2 344.430 2.347 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(c4ccc(F)cc4)CC3)C2)C1 ZINC000972407532 678696542 /nfs/dbraw/zinc/69/65/42/678696542.db2.gz KVABHICBRDUZKD-LJQANCHMSA-N 1 2 344.430 2.347 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nccc4ccsc43)C2)C1 ZINC000972423430 678721492 /nfs/dbraw/zinc/72/14/92/678721492.db2.gz VRVMRHMTFHEWJM-GOSISDBHSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3nccc4ccsc43)C2)C1 ZINC000972423430 678721494 /nfs/dbraw/zinc/72/14/94/678721494.db2.gz VRVMRHMTFHEWJM-GOSISDBHSA-N 1 2 343.452 2.399 20 30 EEEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)noc3C(F)F)C2)C1 ZINC000972424644 678723083 /nfs/dbraw/zinc/72/30/83/678723083.db2.gz KZKLLVUCDDTWCV-MRXNPFEDSA-N 1 2 341.358 2.024 20 30 EEEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)noc3C(F)F)C2)C1 ZINC000972424644 678723086 /nfs/dbraw/zinc/72/30/86/678723086.db2.gz KZKLLVUCDDTWCV-MRXNPFEDSA-N 1 2 341.358 2.024 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4cccnc43)C2)C1 ZINC000972453056 678770896 /nfs/dbraw/zinc/77/08/96/678770896.db2.gz ICTPGYJKHUPYFK-NRFANRHFSA-N 1 2 349.434 2.175 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4cccnc43)C2)C1 ZINC000972453056 678770901 /nfs/dbraw/zinc/77/09/01/678770901.db2.gz ICTPGYJKHUPYFK-NRFANRHFSA-N 1 2 349.434 2.175 20 30 EEEDLO C=C(Br)C[N@H+]1CCC[C@H](CNC(=O)c2cc(C)no2)C1 ZINC001023227746 679187682 /nfs/dbraw/zinc/18/76/82/679187682.db2.gz SZCZIEYQLGIVAR-GFCCVEGCSA-N 1 2 342.237 2.333 20 30 EEEDLO C=C(Br)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C)no2)C1 ZINC001023227746 679187683 /nfs/dbraw/zinc/18/76/83/679187683.db2.gz SZCZIEYQLGIVAR-GFCCVEGCSA-N 1 2 342.237 2.333 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4c3ccn4C)C2)C1 ZINC000972598070 679397386 /nfs/dbraw/zinc/39/73/86/679397386.db2.gz ZOKPZWXERCMBGY-FQEVSTJZSA-N 1 2 339.439 2.281 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4c3ccn4C)C2)C1 ZINC000972598070 679397387 /nfs/dbraw/zinc/39/73/87/679397387.db2.gz ZOKPZWXERCMBGY-FQEVSTJZSA-N 1 2 339.439 2.281 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3cc(C)oc3C)C2)C1 ZINC000972598869 679400323 /nfs/dbraw/zinc/40/03/23/679400323.db2.gz KKYBPWAFOJAJRS-BEFAXECRSA-N 1 2 332.444 2.489 20 30 EEEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3cc(C)oc3C)C2)C1 ZINC000972598869 679400324 /nfs/dbraw/zinc/40/03/24/679400324.db2.gz KKYBPWAFOJAJRS-BEFAXECRSA-N 1 2 332.444 2.489 20 30 EEEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccc(CC)cc3)C2)C1 ZINC000972599724 679403680 /nfs/dbraw/zinc/40/36/80/679403680.db2.gz XZPMGTCGRZGAGS-UTKZUKDTSA-N 1 2 340.467 2.289 20 30 EEEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccc(CC)cc3)C2)C1 ZINC000972599724 679403681 /nfs/dbraw/zinc/40/36/81/679403681.db2.gz XZPMGTCGRZGAGS-UTKZUKDTSA-N 1 2 340.467 2.289 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)cc(C)c3)C2)C1 ZINC000972654789 679517904 /nfs/dbraw/zinc/51/79/04/679517904.db2.gz VVBFAHXRFVISNZ-FQEVSTJZSA-N 1 2 326.440 2.244 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)cc(C)c3)C2)C1 ZINC000972654789 679517905 /nfs/dbraw/zinc/51/79/05/679517905.db2.gz VVBFAHXRFVISNZ-FQEVSTJZSA-N 1 2 326.440 2.244 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2nocc2C)C1 ZINC000972682688 679597406 /nfs/dbraw/zinc/59/74/06/679597406.db2.gz GLSMXMRTZMVMQK-LLVKDONJSA-N 1 2 328.210 2.038 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2nocc2C)C1 ZINC000972682688 679597408 /nfs/dbraw/zinc/59/74/08/679597408.db2.gz GLSMXMRTZMVMQK-LLVKDONJSA-N 1 2 328.210 2.038 20 30 EEEDLO Cc1csc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001024399370 679889792 /nfs/dbraw/zinc/88/97/92/679889792.db2.gz IMGQHYKQNSTFET-OAHLLOKOSA-N 1 2 343.456 2.436 20 30 EEEDLO Cc1csc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001024399370 679889793 /nfs/dbraw/zinc/88/97/93/679889793.db2.gz IMGQHYKQNSTFET-OAHLLOKOSA-N 1 2 343.456 2.436 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn2c1OCCC2 ZINC001024535303 680057282 /nfs/dbraw/zinc/05/72/82/680057282.db2.gz QHITWVGNMYDOSU-ZDUSSCGKSA-N 1 2 338.839 2.002 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cnn2c1OCCC2 ZINC001024535303 680057285 /nfs/dbraw/zinc/05/72/85/680057285.db2.gz QHITWVGNMYDOSU-ZDUSSCGKSA-N 1 2 338.839 2.002 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C)on1 ZINC001024706966 681365424 /nfs/dbraw/zinc/36/54/24/681365424.db2.gz HSQXUOXJAIHKJL-BZSNNMDCSA-N 1 2 347.459 2.435 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C)on1 ZINC001024706966 681365427 /nfs/dbraw/zinc/36/54/27/681365427.db2.gz HSQXUOXJAIHKJL-BZSNNMDCSA-N 1 2 347.459 2.435 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CCC2(F)F)s1 ZINC001038398943 681403032 /nfs/dbraw/zinc/40/30/32/681403032.db2.gz SDEBKYFPXULIOD-GXFFZTMASA-N 1 2 325.384 2.356 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CCC2(F)F)s1 ZINC001038398943 681403034 /nfs/dbraw/zinc/40/30/34/681403034.db2.gz SDEBKYFPXULIOD-GXFFZTMASA-N 1 2 325.384 2.356 20 30 EEEDLO C#CCOc1ncccc1C(=O)NC[C@@H]1CCCC[N@H+]1CC(=C)Cl ZINC001024765094 681425802 /nfs/dbraw/zinc/42/58/02/681425802.db2.gz BBHVBBSTEVCYIV-HNNXBMFYSA-N 1 2 347.846 2.430 20 30 EEEDLO C#CCOc1ncccc1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=C)Cl ZINC001024765094 681425808 /nfs/dbraw/zinc/42/58/08/681425808.db2.gz BBHVBBSTEVCYIV-HNNXBMFYSA-N 1 2 347.846 2.430 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(C2CCCC2)no1 ZINC001024902734 681563619 /nfs/dbraw/zinc/56/36/19/681563619.db2.gz ZEELDUHXRPQGKQ-DZGCQCFKSA-N 1 2 345.447 2.358 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3nnc(C)s3)C2)cc1 ZINC001028730452 682025768 /nfs/dbraw/zinc/02/57/68/682025768.db2.gz IWOPBFBCCBMKQQ-OAHLLOKOSA-N 1 2 340.452 2.080 20 30 EEEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3nnc(C)s3)C2)cc1 ZINC001028730452 682025773 /nfs/dbraw/zinc/02/57/73/682025773.db2.gz IWOPBFBCCBMKQQ-OAHLLOKOSA-N 1 2 340.452 2.080 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3nc(CC)no3)C2)CC1 ZINC001028778957 682204650 /nfs/dbraw/zinc/20/46/50/682204650.db2.gz QEEKKQYHGNXFBM-AWEZNQCLSA-N 1 2 332.448 2.317 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3nc(CC)no3)C2)CC1 ZINC001028778957 682204652 /nfs/dbraw/zinc/20/46/52/682204652.db2.gz QEEKKQYHGNXFBM-AWEZNQCLSA-N 1 2 332.448 2.317 20 30 EEEDLO C#CCC[N@H+]1C[C@@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)C(C)(C)C1 ZINC000974827493 685590236 /nfs/dbraw/zinc/59/02/36/685590236.db2.gz QKZNWTCVSQNIRY-LLVKDONJSA-N 1 2 342.365 2.200 20 30 EEEDLO Cc1cnoc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000983531260 682783407 /nfs/dbraw/zinc/78/34/07/682783407.db2.gz RPZVFWPFTLHNFW-UHFFFAOYSA-N 1 2 342.374 2.342 20 30 EEEDLO Cc1cnoc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000983531260 682783409 /nfs/dbraw/zinc/78/34/09/682783409.db2.gz RPZVFWPFTLHNFW-UHFFFAOYSA-N 1 2 342.374 2.342 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001025585112 683041859 /nfs/dbraw/zinc/04/18/59/683041859.db2.gz ATGLIXJLHGGHAB-UONOGXRCSA-N 1 2 337.851 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c[nH]c(C)cc2=O)C1 ZINC001025585112 683041865 /nfs/dbraw/zinc/04/18/65/683041865.db2.gz ATGLIXJLHGGHAB-UONOGXRCSA-N 1 2 337.851 2.266 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](F)C1 ZINC001025977838 683707755 /nfs/dbraw/zinc/70/77/55/683707755.db2.gz ATKBQHLCJYVJPG-IIIYPXSQSA-N 1 2 345.393 2.382 20 30 EEEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](F)C1 ZINC001025977838 683707757 /nfs/dbraw/zinc/70/77/57/683707757.db2.gz ATKBQHLCJYVJPG-IIIYPXSQSA-N 1 2 345.393 2.382 20 30 EEEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@]1(C)CC ZINC001026129954 683885994 /nfs/dbraw/zinc/88/59/94/683885994.db2.gz BBPZHYROSPVSCV-GEJOOGBSSA-N 1 2 327.266 2.378 20 30 EEEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@]1(C)CC ZINC001026129954 683886001 /nfs/dbraw/zinc/88/60/01/683886001.db2.gz BBPZHYROSPVSCV-GEJOOGBSSA-N 1 2 327.266 2.378 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)CO1 ZINC001029365931 684108482 /nfs/dbraw/zinc/10/84/82/684108482.db2.gz ARUGVDSHPDZFIL-AFYVEPGGSA-N 1 2 338.451 2.138 20 30 EEEDLO C[C@@H]1C[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)CO1 ZINC001029365931 684108483 /nfs/dbraw/zinc/10/84/83/684108483.db2.gz ARUGVDSHPDZFIL-AFYVEPGGSA-N 1 2 338.451 2.138 20 30 EEEDLO O=C1[C@@H]([NH2+]Cc2ccc(Br)c(F)c2F)CCCN1O ZINC000895157989 684146476 /nfs/dbraw/zinc/14/64/76/684146476.db2.gz VGMAVUISLUIZCN-VIFPVBQESA-N 1 2 335.148 2.197 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC001008317866 684606899 /nfs/dbraw/zinc/60/68/99/684606899.db2.gz VEBRIJFPFBGHBY-ZIAGYGMSSA-N 1 2 336.867 2.173 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC001008317866 684606902 /nfs/dbraw/zinc/60/69/02/684606902.db2.gz VEBRIJFPFBGHBY-ZIAGYGMSSA-N 1 2 336.867 2.173 20 30 EEEDLO COc1ccc(C(N)=[NH+]OCC(=O)NCc2cccc(Cl)c2)cc1 ZINC000054230129 685030891 /nfs/dbraw/zinc/03/08/91/685030891.db2.gz NLKAGXMMIFJHHN-UHFFFAOYSA-N 1 2 347.802 2.302 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1conc1CC ZINC001029480950 685106199 /nfs/dbraw/zinc/10/61/99/685106199.db2.gz SBPILHLWXQEXBX-HPFXQQBRSA-N 1 2 345.443 2.003 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1conc1CC ZINC001029480950 685106202 /nfs/dbraw/zinc/10/62/02/685106202.db2.gz SBPILHLWXQEXBX-HPFXQQBRSA-N 1 2 345.443 2.003 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2nn(C)cc2Cl)C(C)(C)C1 ZINC000974620456 685136171 /nfs/dbraw/zinc/13/61/71/685136171.db2.gz KTNQUUAAQAIVFR-LLVKDONJSA-N 1 2 331.247 2.266 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2nn(C)cc2Cl)C(C)(C)C1 ZINC000974620456 685136174 /nfs/dbraw/zinc/13/61/74/685136174.db2.gz KTNQUUAAQAIVFR-LLVKDONJSA-N 1 2 331.247 2.266 20 30 EEEDLO CC1(C)C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1NC(=O)c1cnco1 ZINC000974870406 685657141 /nfs/dbraw/zinc/65/71/41/685657141.db2.gz LAJLHQKDSGNTTH-KRWDZBQOSA-N 1 2 341.386 2.306 20 30 EEEDLO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1NC(=O)c1cnco1 ZINC000974870406 685657145 /nfs/dbraw/zinc/65/71/45/685657145.db2.gz LAJLHQKDSGNTTH-KRWDZBQOSA-N 1 2 341.386 2.306 20 30 EEEDLO C=C1CCC(C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2CC)CC1 ZINC000985064370 685735454 /nfs/dbraw/zinc/73/54/54/685735454.db2.gz AZTXGQQOUPHXEF-DLBZAZTESA-N 1 2 344.459 2.125 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccnc3c2ncn3C)C(C)(C)C1 ZINC000975032202 686083220 /nfs/dbraw/zinc/08/32/20/686083220.db2.gz ULPBRZXZJUXESS-ZDUSSCGKSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccnc3c2ncn3C)C(C)(C)C1 ZINC000975032202 686083223 /nfs/dbraw/zinc/08/32/23/686083223.db2.gz ULPBRZXZJUXESS-ZDUSSCGKSA-N 1 2 347.850 2.161 20 30 EEEDLO Cc1cc(C#N)cc(NC(=O)c2cccn2CC[NH+]2CCOCC2)c1 ZINC000909401294 694018079 /nfs/dbraw/zinc/01/80/79/694018079.db2.gz OTAYPSJJZNBCOI-UHFFFAOYSA-N 1 2 338.411 2.253 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000975517317 686667333 /nfs/dbraw/zinc/66/73/33/686667333.db2.gz SIHBXVJMVMJKMH-OAHLLOKOSA-N 1 2 344.459 2.053 20 30 EEEDLO CC(C)c1nnc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H](C)C#N)C2)s1 ZINC001029678315 686766201 /nfs/dbraw/zinc/76/62/01/686766201.db2.gz OLDDGKHMJYXDQD-CHWSQXEVSA-N 1 2 335.477 2.101 20 30 EEEDLO CC(C)c1nnc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H](C)C#N)C2)s1 ZINC001029678315 686766207 /nfs/dbraw/zinc/76/62/07/686766207.db2.gz OLDDGKHMJYXDQD-CHWSQXEVSA-N 1 2 335.477 2.101 20 30 EEEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC001027366116 687719942 /nfs/dbraw/zinc/71/99/42/687719942.db2.gz FJZNYPYUUJBJRP-OAHLLOKOSA-N 1 2 343.456 2.388 20 30 EEEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)cs1 ZINC001027366116 687719947 /nfs/dbraw/zinc/71/99/47/687719947.db2.gz FJZNYPYUUJBJRP-OAHLLOKOSA-N 1 2 343.456 2.388 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)on1 ZINC001006720534 688034881 /nfs/dbraw/zinc/03/48/81/688034881.db2.gz HXRAATVYWKHVPJ-QGZVFWFLSA-N 1 2 341.386 2.368 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)on1 ZINC001006720534 688034887 /nfs/dbraw/zinc/03/48/87/688034887.db2.gz HXRAATVYWKHVPJ-QGZVFWFLSA-N 1 2 341.386 2.368 20 30 EEEDLO C=CCCCC(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059819705 689932818 /nfs/dbraw/zinc/93/28/18/689932818.db2.gz MKUPXUNYGUGANS-HNNXBMFYSA-N 1 2 332.448 2.053 20 30 EEEDLO C=CCCCC(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059819705 689932821 /nfs/dbraw/zinc/93/28/21/689932821.db2.gz MKUPXUNYGUGANS-HNNXBMFYSA-N 1 2 332.448 2.053 20 30 EEEDLO C=C1CCC(C(=O)N2C[C@H]([NH2+]Cc3nc(COC)no3)C[C@@H]2C)CC1 ZINC000989397718 691672156 /nfs/dbraw/zinc/67/21/56/691672156.db2.gz BWGYELKVCCEUPW-DZGCQCFKSA-N 1 2 348.447 2.041 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)CCc2cnccn2)CC1 ZINC000989420238 691696567 /nfs/dbraw/zinc/69/65/67/691696567.db2.gz TYGJGMWXRCCQQN-UHFFFAOYSA-N 1 2 349.438 2.015 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCc2cnccn2)CC1 ZINC000989420238 691696568 /nfs/dbraw/zinc/69/65/68/691696568.db2.gz TYGJGMWXRCCQQN-UHFFFAOYSA-N 1 2 349.438 2.015 20 30 EEEDLO O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl)[C@@H]1CCOC1 ZINC001027783635 694484811 /nfs/dbraw/zinc/48/48/11/694484811.db2.gz FZJCOGQNLZXQTB-IAGOWNOFSA-N 1 2 346.858 2.309 20 30 EEEDLO O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl)[C@@H]1CCOC1 ZINC001027783635 694484816 /nfs/dbraw/zinc/48/48/16/694484816.db2.gz FZJCOGQNLZXQTB-IAGOWNOFSA-N 1 2 346.858 2.309 20 30 EEEDLO CCc1ncncc1C(=O)N1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000989677476 692154456 /nfs/dbraw/zinc/15/44/56/692154456.db2.gz URWSFQHFCITRLS-UHFFFAOYSA-N 1 2 349.438 2.259 20 30 EEEDLO CCc1ncncc1C(=O)N1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000989677476 692154460 /nfs/dbraw/zinc/15/44/60/692154460.db2.gz URWSFQHFCITRLS-UHFFFAOYSA-N 1 2 349.438 2.259 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@@H+](C)[C@@H](C)c3nncn3C)C2)C1 ZINC001027567758 693080434 /nfs/dbraw/zinc/08/04/34/693080434.db2.gz ZXBMYNHOOGZKKY-LSDHHAIUSA-N 1 2 331.464 2.155 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@H+](C)[C@@H](C)c3nncn3C)C2)C1 ZINC001027567758 693080437 /nfs/dbraw/zinc/08/04/37/693080437.db2.gz ZXBMYNHOOGZKKY-LSDHHAIUSA-N 1 2 331.464 2.155 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001060070305 693312219 /nfs/dbraw/zinc/31/22/19/693312219.db2.gz RKLQRQCXLIZAIT-HZPDHXFCSA-N 1 2 346.475 2.401 20 30 EEEDLO COc1ccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)o1 ZINC001032070081 1192130951 /nfs/dbraw/zinc/13/09/51/1192130951.db2.gz HWXSSMWRVPACNQ-UHFFFAOYSA-N 1 2 343.358 2.161 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CCCCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000943505649 1192316534 /nfs/dbraw/zinc/31/65/34/1192316534.db2.gz KGEKDWSFALVDJU-INIZCTEOSA-N 1 2 344.459 2.196 20 30 EEEDLO CCCc1cc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)no1 ZINC001032091927 1192396264 /nfs/dbraw/zinc/39/62/64/1192396264.db2.gz HMCKQGLYQLCMKE-UHFFFAOYSA-N 1 2 337.423 2.340 20 30 EEEDLO C[N@H+](CCNC(=O)Cc1noc2ccccc12)Cc1ccccc1C#N ZINC001266295363 1176152566 /nfs/dbraw/zinc/15/25/66/1176152566.db2.gz GVKXQYPSRQORKH-UHFFFAOYSA-N 1 2 348.406 2.490 20 30 EEEDLO C[N@@H+](CCNC(=O)Cc1noc2ccccc12)Cc1ccccc1C#N ZINC001266295363 1176152575 /nfs/dbraw/zinc/15/25/75/1176152575.db2.gz GVKXQYPSRQORKH-UHFFFAOYSA-N 1 2 348.406 2.490 20 30 EEEDLO CCc1onc(C)c1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001032179452 1192837295 /nfs/dbraw/zinc/83/72/95/1192837295.db2.gz VDTVVJOQLKIFFW-UHFFFAOYSA-N 1 2 344.440 2.340 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CC[C@H]([NH2+]Cc2ncc(CC)o2)C1 ZINC001267015858 1178092916 /nfs/dbraw/zinc/09/29/16/1178092916.db2.gz VONGUFSYNZASLW-KBXCAEBGSA-N 1 2 335.448 2.156 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1nc(C)c2cccnc21 ZINC001481050078 1179627659 /nfs/dbraw/zinc/62/76/59/1179627659.db2.gz VYLUEWGMXNNSEN-CQSZACIVSA-N 1 2 347.850 2.073 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1nc(C)c2cccnc21 ZINC001481050078 1179627661 /nfs/dbraw/zinc/62/76/61/1179627661.db2.gz VYLUEWGMXNNSEN-CQSZACIVSA-N 1 2 347.850 2.073 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001267936877 1180792943 /nfs/dbraw/zinc/79/29/43/1180792943.db2.gz CUJDUUYVQLPIDG-CQSZACIVSA-N 1 2 332.448 2.168 20 30 EEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OC)nn2)C1 ZINC001267936877 1180792951 /nfs/dbraw/zinc/79/29/51/1180792951.db2.gz CUJDUUYVQLPIDG-CQSZACIVSA-N 1 2 332.448 2.168 20 30 EEEDLO C[C@H](C#N)C(=O)NCC1C[NH+](Cc2sccc2Br)C1 ZINC001481617341 1181892413 /nfs/dbraw/zinc/89/24/13/1181892413.db2.gz FGZNUQUPOSZEBU-SECBINFHSA-N 1 2 342.262 2.218 20 30 EEEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(N(CC)CC)nc2)C1 ZINC001032222415 1193237551 /nfs/dbraw/zinc/23/75/51/1193237551.db2.gz RXUGVIWZHCUUSE-UHFFFAOYSA-N 1 2 336.867 2.342 20 30 EEEDLO C=CCNC(=O)[C@H]1CC12CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001269386294 1184225169 /nfs/dbraw/zinc/22/51/69/1184225169.db2.gz IMAZEOIRCFSVBM-CQSZACIVSA-N 1 2 338.411 2.107 20 30 EEEDLO N#Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(=O)[nH]2)c1 ZINC001271497041 1186276147 /nfs/dbraw/zinc/27/61/47/1186276147.db2.gz CGRDNVZZBYGTIF-HDICACEKSA-N 1 2 348.406 2.148 20 30 EEEDLO N#Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc(=O)[nH]2)c1 ZINC001271497041 1186276153 /nfs/dbraw/zinc/27/61/53/1186276153.db2.gz CGRDNVZZBYGTIF-HDICACEKSA-N 1 2 348.406 2.148 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001088528823 1187170694 /nfs/dbraw/zinc/17/06/94/1187170694.db2.gz QPETVKWCECNJKS-RISCZKNCSA-N 1 2 343.818 2.328 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1ccc(Cl)nc1 ZINC001088528823 1187170695 /nfs/dbraw/zinc/17/06/95/1187170695.db2.gz QPETVKWCECNJKS-RISCZKNCSA-N 1 2 343.818 2.328 20 30 EEEDLO CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)c1cnc2ccccn21 ZINC001272055265 1187297035 /nfs/dbraw/zinc/29/70/35/1187297035.db2.gz KOZDIMRIGIFWGP-UHFFFAOYSA-N 1 2 347.422 2.410 20 30 EEEDLO CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)c1cnc2ccccn21 ZINC001272055265 1187297039 /nfs/dbraw/zinc/29/70/39/1187297039.db2.gz KOZDIMRIGIFWGP-UHFFFAOYSA-N 1 2 347.422 2.410 20 30 EEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(C(F)(F)F)no1 ZINC001482606008 1187359178 /nfs/dbraw/zinc/35/91/78/1187359178.db2.gz LZEBFLYWVXJBDJ-UHFFFAOYSA-N 1 2 325.718 2.450 20 30 EEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(C(F)(F)F)no1 ZINC001482606008 1187359180 /nfs/dbraw/zinc/35/91/80/1187359180.db2.gz LZEBFLYWVXJBDJ-UHFFFAOYSA-N 1 2 325.718 2.450 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(F)ccc2OC)C[C@H]1OC ZINC001212024271 1187625570 /nfs/dbraw/zinc/62/55/70/1187625570.db2.gz PGRJOADZZJENHU-NVXWUHKLSA-N 1 2 336.407 2.116 20 30 EEEDLO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2cc(F)ccc2OC)C[C@H]1OC ZINC001212024271 1187625574 /nfs/dbraw/zinc/62/55/74/1187625574.db2.gz PGRJOADZZJENHU-NVXWUHKLSA-N 1 2 336.407 2.116 20 30 EEEDLO C=CCC1(C(=O)NC[C@@H](C)Nc2ncnc3c2C[N@H+](C)CC3)CCC1 ZINC001098246243 1187735602 /nfs/dbraw/zinc/73/56/02/1187735602.db2.gz UNCLHHSRCXNNDH-CQSZACIVSA-N 1 2 343.475 2.128 20 30 EEEDLO C=CCC1(C(=O)NC[C@@H](C)Nc2ncnc3c2C[N@@H+](C)CC3)CCC1 ZINC001098246243 1187735607 /nfs/dbraw/zinc/73/56/07/1187735607.db2.gz UNCLHHSRCXNNDH-CQSZACIVSA-N 1 2 343.475 2.128 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)n2)[C@H]1C ZINC001088646160 1188035368 /nfs/dbraw/zinc/03/53/68/1188035368.db2.gz DWZJPNBOWDZRGZ-PWSUYJOCSA-N 1 2 336.823 2.005 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)n2)[C@H]1C ZINC001088646160 1188035371 /nfs/dbraw/zinc/03/53/71/1188035371.db2.gz DWZJPNBOWDZRGZ-PWSUYJOCSA-N 1 2 336.823 2.005 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2c(C)nn(C)c2Cl)[C@H]1C ZINC001088707570 1188327866 /nfs/dbraw/zinc/32/78/66/1188327866.db2.gz AUSHDEPNNYEBJV-YPMHNXCESA-N 1 2 345.274 2.256 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2c(C)nn(C)c2Cl)[C@H]1C ZINC001088707570 1188327870 /nfs/dbraw/zinc/32/78/70/1188327870.db2.gz AUSHDEPNNYEBJV-YPMHNXCESA-N 1 2 345.274 2.256 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N(C)C1CC(Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC001126919762 1188745975 /nfs/dbraw/zinc/74/59/75/1188745975.db2.gz GNLWOVIUSAPDGT-JFIBYHEFSA-N 1 2 344.459 2.391 20 30 EEEDLO C=CCCC(=O)N[C@@H](C)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001076640749 1189068593 /nfs/dbraw/zinc/06/85/93/1189068593.db2.gz JWEUXVRBSDHJPR-ZDUSSCGKSA-N 1 2 328.416 2.234 20 30 EEEDLO C=C(C)CCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001076797275 1189167915 /nfs/dbraw/zinc/16/79/15/1189167915.db2.gz AFXDWESQJCREOW-ZFWWWQNUSA-N 1 2 346.475 2.190 20 30 EEEDLO C=C(C)CCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001076797275 1189167917 /nfs/dbraw/zinc/16/79/17/1189167917.db2.gz AFXDWESQJCREOW-ZFWWWQNUSA-N 1 2 346.475 2.190 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001077141253 1189354842 /nfs/dbraw/zinc/35/48/42/1189354842.db2.gz BSOZXJCBXSQDDJ-BFHYXJOUSA-N 1 2 332.448 2.127 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001077141253 1189354845 /nfs/dbraw/zinc/35/48/45/1189354845.db2.gz BSOZXJCBXSQDDJ-BFHYXJOUSA-N 1 2 332.448 2.127 20 30 EEEDLO Cc1nc(CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)cs1 ZINC001483702449 1190776535 /nfs/dbraw/zinc/77/65/35/1190776535.db2.gz ONRPBWJRGBAWKY-ZDUSSCGKSA-N 1 2 346.481 2.318 20 30 EEEDLO Cc1nc(CC(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)cs1 ZINC001483702449 1190776538 /nfs/dbraw/zinc/77/65/38/1190776538.db2.gz ONRPBWJRGBAWKY-ZDUSSCGKSA-N 1 2 346.481 2.318 20 30 EEEDLO C=CCCCCC[N@H+]1C[C@]2(F)CN(CCCOC)C(=O)[C@]2(F)C1 ZINC001272699241 1191739508 /nfs/dbraw/zinc/73/95/08/1191739508.db2.gz DOARYAIKAYPUTP-DLBZAZTESA-N 1 2 330.419 2.344 20 30 EEEDLO C=CCCCCC[N@@H+]1C[C@]2(F)CN(CCCOC)C(=O)[C@]2(F)C1 ZINC001272699241 1191739510 /nfs/dbraw/zinc/73/95/10/1191739510.db2.gz DOARYAIKAYPUTP-DLBZAZTESA-N 1 2 330.419 2.344 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001033431473 1194567719 /nfs/dbraw/zinc/56/77/19/1194567719.db2.gz CXOYGAXNNDQXJR-ZNMIVQPWSA-N 1 2 335.473 2.075 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001033431473 1194567722 /nfs/dbraw/zinc/56/77/22/1194567722.db2.gz CXOYGAXNNDQXJR-ZNMIVQPWSA-N 1 2 335.473 2.075 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2nccs2)C1 ZINC001033498474 1194649312 /nfs/dbraw/zinc/64/93/12/1194649312.db2.gz YFDWOOJQOYSFHC-YCPHGPKFSA-N 1 2 335.473 2.157 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001033498474 1194649314 /nfs/dbraw/zinc/64/93/14/1194649314.db2.gz YFDWOOJQOYSFHC-YCPHGPKFSA-N 1 2 335.473 2.157 20 30 EEEDLO Cc1conc1C(=O)N(C)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033562429 1194732992 /nfs/dbraw/zinc/73/29/92/1194732992.db2.gz KRBLOOGKANQOTF-KRWDZBQOSA-N 1 2 341.386 2.320 20 30 EEEDLO Cc1conc1C(=O)N(C)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033562429 1194732997 /nfs/dbraw/zinc/73/29/97/1194732997.db2.gz KRBLOOGKANQOTF-KRWDZBQOSA-N 1 2 341.386 2.320 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001033670246 1195035757 /nfs/dbraw/zinc/03/57/57/1195035757.db2.gz VWWNTKXCUCARFE-QGZVFWFLSA-N 1 2 349.862 2.222 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001033670246 1195035762 /nfs/dbraw/zinc/03/57/62/1195035762.db2.gz VWWNTKXCUCARFE-QGZVFWFLSA-N 1 2 349.862 2.222 20 30 EEEDLO CCN(C(=O)c1ccon1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033759222 1195214878 /nfs/dbraw/zinc/21/48/78/1195214878.db2.gz PLPYRKJUINRXDK-HNNXBMFYSA-N 1 2 342.374 2.422 20 30 EEEDLO CCN(C(=O)c1ccon1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033759222 1195214880 /nfs/dbraw/zinc/21/48/80/1195214880.db2.gz PLPYRKJUINRXDK-HNNXBMFYSA-N 1 2 342.374 2.422 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033807439 1195290512 /nfs/dbraw/zinc/29/05/12/1195290512.db2.gz UMWPHIASVIEDGW-QGZVFWFLSA-N 1 2 341.390 2.157 20 30 EEEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033807439 1195290514 /nfs/dbraw/zinc/29/05/14/1195290514.db2.gz UMWPHIASVIEDGW-QGZVFWFLSA-N 1 2 341.390 2.157 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ncc(CC)o2)C1 ZINC001033954015 1195554776 /nfs/dbraw/zinc/55/47/76/1195554776.db2.gz KTCYFAMCLOBZPC-OIISXLGYSA-N 1 2 347.459 2.251 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ncc(CC)o2)C1 ZINC001033954015 1195554778 /nfs/dbraw/zinc/55/47/78/1195554778.db2.gz KTCYFAMCLOBZPC-OIISXLGYSA-N 1 2 347.459 2.251 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001108110736 1195664463 /nfs/dbraw/zinc/66/44/63/1195664463.db2.gz SYXIEKZUEXMXNM-IBGZPJMESA-N 1 2 343.427 2.183 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001108110736 1195664465 /nfs/dbraw/zinc/66/44/65/1195664465.db2.gz SYXIEKZUEXMXNM-IBGZPJMESA-N 1 2 343.427 2.183 20 30 EEEDLO C#Cc1ccc(C(=O)N(CC)[C@@H]2CC[N@@H+]([C@@H](C)c3ncccn3)C2)cn1 ZINC001034023484 1195677681 /nfs/dbraw/zinc/67/76/81/1195677681.db2.gz SAXKEIOAJZSKRO-MAUKXSAKSA-N 1 2 349.438 2.151 20 30 EEEDLO C#Cc1ccc(C(=O)N(CC)[C@@H]2CC[N@H+]([C@@H](C)c3ncccn3)C2)cn1 ZINC001034023484 1195677685 /nfs/dbraw/zinc/67/76/85/1195677685.db2.gz SAXKEIOAJZSKRO-MAUKXSAKSA-N 1 2 349.438 2.151 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cocn3)C2)c(F)c1 ZINC001034140810 1195815037 /nfs/dbraw/zinc/81/50/37/1195815037.db2.gz CSLCXBSKKWZJCJ-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)c3cocn3)C2)c(F)c1 ZINC001034140810 1195815041 /nfs/dbraw/zinc/81/50/41/1195815041.db2.gz CSLCXBSKKWZJCJ-OAHLLOKOSA-N 1 2 342.374 2.470 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnc3[nH]cnc3c2)C1 ZINC001034227898 1195963873 /nfs/dbraw/zinc/96/38/73/1195963873.db2.gz OUJSSPFMVNQRCE-ZDUSSCGKSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnc3[nH]cnc3c2)C1 ZINC001034227898 1195963875 /nfs/dbraw/zinc/96/38/75/1195963875.db2.gz OUJSSPFMVNQRCE-ZDUSSCGKSA-N 1 2 333.823 2.295 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnc(C)nc2OC)C1 ZINC001034237247 1195987034 /nfs/dbraw/zinc/98/70/34/1195987034.db2.gz RMZQEZBVIMNAIE-ZDUSSCGKSA-N 1 2 338.839 2.130 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnc(C)nc2OC)C1 ZINC001034237247 1195987035 /nfs/dbraw/zinc/98/70/35/1195987035.db2.gz RMZQEZBVIMNAIE-ZDUSSCGKSA-N 1 2 338.839 2.130 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCCC[N@@H+]([C@@H](C)c3ncccn3)C2)c1 ZINC001034393169 1196182101 /nfs/dbraw/zinc/18/21/01/1196182101.db2.gz RWCTWGXRTLAWLQ-YJBOKZPZSA-N 1 2 349.438 2.198 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@H]2CCCC[N@H+]([C@@H](C)c3ncccn3)C2)c1 ZINC001034393169 1196182102 /nfs/dbraw/zinc/18/21/02/1196182102.db2.gz RWCTWGXRTLAWLQ-YJBOKZPZSA-N 1 2 349.438 2.198 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2c(C)nn(C)c2OC)C1 ZINC001034426304 1196203447 /nfs/dbraw/zinc/20/34/47/1196203447.db2.gz FWLCYIMEBMTDBB-ZDUSSCGKSA-N 1 2 340.855 2.074 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2c(C)nn(C)c2OC)C1 ZINC001034426304 1196203449 /nfs/dbraw/zinc/20/34/49/1196203449.db2.gz FWLCYIMEBMTDBB-ZDUSSCGKSA-N 1 2 340.855 2.074 20 30 EEEDLO CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC001034539236 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C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)NCCCC)C2)C1 ZINC001132274410 1199523834 /nfs/dbraw/zinc/52/38/34/1199523834.db2.gz TVDDRUMOBBWCNH-CVEARBPZSA-N 1 2 335.492 2.228 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(NC(C)=O)CCCC2)CC[C@@H]1C ZINC001132355250 1199598979 /nfs/dbraw/zinc/59/89/79/1199598979.db2.gz WOWGPAKMICFYDR-ZFWWWQNUSA-N 1 2 341.883 2.157 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(NC(C)=O)CCCC2)CC[C@@H]1C ZINC001132355250 1199598983 /nfs/dbraw/zinc/59/89/83/1199598983.db2.gz WOWGPAKMICFYDR-ZFWWWQNUSA-N 1 2 341.883 2.157 20 30 EEEDLO COCC#CC[N@@H+]1C[C@H](NC(=O)c2scnc2C(C)C)CC[C@H]1C ZINC001132343480 1199606481 /nfs/dbraw/zinc/60/64/81/1199606481.db2.gz IDLMBMZLRCSOLG-HUUCEWRRSA-N 1 2 349.500 2.499 20 30 EEEDLO COCC#CC[N@H+]1C[C@H](NC(=O)c2scnc2C(C)C)CC[C@H]1C ZINC001132343480 1199606482 /nfs/dbraw/zinc/60/64/82/1199606482.db2.gz IDLMBMZLRCSOLG-HUUCEWRRSA-N 1 2 349.500 2.499 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1Cc2cc(C)c(C)cc2O1 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327.409 2.415 20 30 EEEDLO COc1cccc([C@H]2CN(C(=O)c3cc(C#N)oc3C)CC[NH2+]2)c1 ZINC000870152614 1200514889 /nfs/dbraw/zinc/51/48/89/1200514889.db2.gz KVJPBBCEKNWMOS-QGZVFWFLSA-N 1 2 325.368 2.255 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](CC)C(=O)Nc2ccc(C)cc2)C1=O ZINC000878549349 1200536194 /nfs/dbraw/zinc/53/61/94/1200536194.db2.gz FDGUYHRJFICTHS-DLBZAZTESA-N 1 2 329.444 2.431 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](CC)C(=O)Nc2ccc(C)cc2)C1=O ZINC000878549349 1200536200 /nfs/dbraw/zinc/53/62/00/1200536200.db2.gz FDGUYHRJFICTHS-DLBZAZTESA-N 1 2 329.444 2.431 20 30 EEEDLO C=CCC1(C(=O)NCC[NH2+]Cc2noc(-c3ccoc3)n2)CCC1 ZINC001133395632 1200854215 /nfs/dbraw/zinc/85/42/15/1200854215.db2.gz UGTJTZGXVFTSOY-UHFFFAOYSA-N 1 2 330.388 2.282 20 30 EEEDLO COC(=O)CC[C@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000880041024 1201360805 /nfs/dbraw/zinc/36/08/05/1201360805.db2.gz MYZXHULUALCFBR-RDTXWAMCSA-N 1 2 344.411 2.438 20 30 EEEDLO 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CTBLCPFAYULZJB-LSDHHAIUSA-N 1 2 344.459 2.004 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1NC(=O)C(F)F ZINC000964596940 1218476472 /nfs/dbraw/zinc/47/64/72/1218476472.db2.gz HWKMGQIMFQMFLS-YGRLFVJLSA-N 1 2 325.334 2.289 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1NC(=O)C(F)F ZINC000964596940 1218476481 /nfs/dbraw/zinc/47/64/81/1218476481.db2.gz HWKMGQIMFQMFLS-YGRLFVJLSA-N 1 2 325.334 2.289 20 30 EEEDLO C[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1NC(=O)c1cn[nH]c1 ZINC000965367448 1219040524 /nfs/dbraw/zinc/04/05/24/1219040524.db2.gz AMBRYBGLDWMJLY-KDOFPFPSSA-N 1 2 340.402 2.041 20 30 EEEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1NC(=O)c1cn[nH]c1 ZINC000965367448 1219040527 /nfs/dbraw/zinc/04/05/27/1219040527.db2.gz AMBRYBGLDWMJLY-KDOFPFPSSA-N 1 2 340.402 2.041 20 30 EEEDLO Cc1csc(C[N@H+]2CC[C@H](C)[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000965917047 1219355517 /nfs/dbraw/zinc/35/55/17/1219355517.db2.gz PBNPCJNKOXCFQS-NHYWBVRUSA-N 1 2 343.456 2.292 20 30 EEEDLO Cc1csc(C[N@@H+]2CC[C@H](C)[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000965917047 1219355520 /nfs/dbraw/zinc/35/55/20/1219355520.db2.gz PBNPCJNKOXCFQS-NHYWBVRUSA-N 1 2 343.456 2.292 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2cc(CC)nn2C)C1 ZINC000967419232 1220496839 /nfs/dbraw/zinc/49/68/39/1220496839.db2.gz ICWMLSVWDVCKGV-LRDDRELGSA-N 1 2 338.883 2.104 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2cc(CC)nn2C)C1 ZINC000967419232 1220496843 /nfs/dbraw/zinc/49/68/43/1220496843.db2.gz ICWMLSVWDVCKGV-LRDDRELGSA-N 1 2 338.883 2.104 20 30 EEEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)c1cnco1 ZINC000967559022 1220626957 /nfs/dbraw/zinc/62/69/57/1220626957.db2.gz KDPFDVKOQFEJQG-RISCZKNCSA-N 1 2 330.413 2.248 20 30 EEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1NC(=O)c1cnco1 ZINC000967559022 1220626959 /nfs/dbraw/zinc/62/69/59/1220626959.db2.gz KDPFDVKOQFEJQG-RISCZKNCSA-N 1 2 330.413 2.248 20 30 EEEDLO C[C@H]1CC[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1n[nH]cc1F ZINC000968188863 1221115403 /nfs/dbraw/zinc/11/54/03/1221115403.db2.gz DNMUHNFDYHFXFB-WMLDXEAASA-N 1 2 340.402 2.041 20 30 EEEDLO C[C@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1n[nH]cc1F ZINC000968188863 1221115407 /nfs/dbraw/zinc/11/54/07/1221115407.db2.gz DNMUHNFDYHFXFB-WMLDXEAASA-N 1 2 340.402 2.041 20 30 EEEDLO C[C@@H]1CC[N@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)c1n[nH]cc1F ZINC000968188861 1221115496 /nfs/dbraw/zinc/11/54/96/1221115496.db2.gz DNMUHNFDYHFXFB-PBHICJAKSA-N 1 2 340.402 2.041 20 30 EEEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@@H]1NC(=O)c1n[nH]cc1F ZINC000968188861 1221115499 /nfs/dbraw/zinc/11/54/99/1221115499.db2.gz DNMUHNFDYHFXFB-PBHICJAKSA-N 1 2 340.402 2.041 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)cc1 ZINC000968751678 1221538104 /nfs/dbraw/zinc/53/81/04/1221538104.db2.gz BNUBPTPDTKGCOA-CHWSQXEVSA-N 1 2 329.297 2.149 20 30 EEEDLO N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)cc1 ZINC000968751678 1221538108 /nfs/dbraw/zinc/53/81/08/1221538108.db2.gz BNUBPTPDTKGCOA-CHWSQXEVSA-N 1 2 329.297 2.149 20 30 EEEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC000968850275 1221620870 /nfs/dbraw/zinc/62/08/70/1221620870.db2.gz UJAAMJXUYSTREP-GFCCVEGCSA-N 1 2 341.253 2.293 20 30 EEEDLO C=C(Br)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC000968850275 1221620871 /nfs/dbraw/zinc/62/08/71/1221620871.db2.gz UJAAMJXUYSTREP-GFCCVEGCSA-N 1 2 341.253 2.293 20 30 EEEDLO Cc1cnc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)cn1 ZINC001006636224 1221873806 /nfs/dbraw/zinc/87/38/06/1221873806.db2.gz XBUZGLGUMFLBFC-GOSISDBHSA-N 1 2 334.423 2.031 20 30 EEEDLO Cc1cnc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)cn1 ZINC001006636224 1221873812 /nfs/dbraw/zinc/87/38/12/1221873812.db2.gz XBUZGLGUMFLBFC-GOSISDBHSA-N 1 2 334.423 2.031 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2ccc(F)nc2)C1 ZINC001006939570 1222024225 /nfs/dbraw/zinc/02/42/25/1222024225.db2.gz PAYPABFPPSPPNZ-KRWDZBQOSA-N 1 2 338.386 2.487 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2ccc(F)nc2)C1 ZINC001006939570 1222024229 /nfs/dbraw/zinc/02/42/29/1222024229.db2.gz PAYPABFPPSPPNZ-KRWDZBQOSA-N 1 2 338.386 2.487 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001016109292 1226089614 /nfs/dbraw/zinc/08/96/14/1226089614.db2.gz BKZDIGQEXWFOMR-QGZVFWFLSA-N 1 2 339.464 2.366 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001016109292 1226089623 /nfs/dbraw/zinc/08/96/23/1226089623.db2.gz BKZDIGQEXWFOMR-QGZVFWFLSA-N 1 2 339.464 2.366 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001016114029 1226096770 /nfs/dbraw/zinc/09/67/70/1226096770.db2.gz ORVGLEHYSJMKDV-IBGZPJMESA-N 1 2 337.398 2.135 20 30 EEEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001016114029 1226096773 /nfs/dbraw/zinc/09/67/73/1226096773.db2.gz ORVGLEHYSJMKDV-IBGZPJMESA-N 1 2 337.398 2.135 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc[nH]c3)C2)c(F)c1 ZINC001007399971 1222207532 /nfs/dbraw/zinc/20/75/32/1222207532.db2.gz UPCCEIVJJWUNHF-MRXNPFEDSA-N 1 2 326.375 2.420 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3cc[nH]c3)C2)c(F)c1 ZINC001007399971 1222207536 /nfs/dbraw/zinc/20/75/36/1222207536.db2.gz UPCCEIVJJWUNHF-MRXNPFEDSA-N 1 2 326.375 2.420 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cnn3ccccc23)C1 ZINC001007515864 1222271182 /nfs/dbraw/zinc/27/11/82/1222271182.db2.gz BOBQGKOBYHBVQZ-OAHLLOKOSA-N 1 2 332.835 2.210 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cnn3ccccc23)C1 ZINC001007515864 1222271185 /nfs/dbraw/zinc/27/11/85/1222271185.db2.gz BOBQGKOBYHBVQZ-OAHLLOKOSA-N 1 2 332.835 2.210 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001008561403 1222928084 /nfs/dbraw/zinc/92/80/84/1222928084.db2.gz YCXLXLSJSVZDFH-OAGGEKHMSA-N 1 2 349.862 2.407 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001008561403 1222928087 /nfs/dbraw/zinc/92/80/87/1222928087.db2.gz YCXLXLSJSVZDFH-OAGGEKHMSA-N 1 2 349.862 2.407 20 30 EEEDLO Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)c1 ZINC001010421098 1223712778 /nfs/dbraw/zinc/71/27/78/1223712778.db2.gz MNYRWHVBFPSPBK-QGZVFWFLSA-N 1 2 338.386 2.405 20 30 EEEDLO Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)c1 ZINC001010421098 1223712780 /nfs/dbraw/zinc/71/27/80/1223712780.db2.gz MNYRWHVBFPSPBK-QGZVFWFLSA-N 1 2 338.386 2.405 20 30 EEEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1cncc(F)c1 ZINC001010534400 1223769764 /nfs/dbraw/zinc/76/97/64/1223769764.db2.gz KGSTVBJCGNBMIV-SFHVURJKSA-N 1 2 341.361 2.216 20 30 EEEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)c1cncc(F)c1 ZINC001010534400 1223769765 /nfs/dbraw/zinc/76/97/65/1223769765.db2.gz KGSTVBJCGNBMIV-SFHVURJKSA-N 1 2 341.361 2.216 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C2)c[nH]1 ZINC001010668326 1223843220 /nfs/dbraw/zinc/84/32/20/1223843220.db2.gz KODLBHMWRKHPNS-OAHLLOKOSA-N 1 2 330.338 2.169 20 30 EEEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C2)c[nH]1 ZINC001010668326 1223843223 /nfs/dbraw/zinc/84/32/23/1223843223.db2.gz KODLBHMWRKHPNS-OAHLLOKOSA-N 1 2 330.338 2.169 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(NC(=O)CC)c1 ZINC001017599862 1227561960 /nfs/dbraw/zinc/56/19/60/1227561960.db2.gz YAYCUZSFFXBBEY-HDICACEKSA-N 1 2 339.439 2.347 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(NC(=O)CC)c1 ZINC001017599862 1227561964 /nfs/dbraw/zinc/56/19/64/1227561964.db2.gz YAYCUZSFFXBBEY-HDICACEKSA-N 1 2 339.439 2.347 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCOc2c(F)cccc21 ZINC001017721171 1227674055 /nfs/dbraw/zinc/67/40/55/1227674055.db2.gz VYMKQUVOOKEOEK-UXLLHSPISA-N 1 2 342.414 2.390 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCOc2c(F)cccc21 ZINC001017721171 1227674059 /nfs/dbraw/zinc/67/40/59/1227674059.db2.gz VYMKQUVOOKEOEK-UXLLHSPISA-N 1 2 342.414 2.390 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COc2ccc(F)cc2C1 ZINC001017733465 1227686513 /nfs/dbraw/zinc/68/65/13/1227686513.db2.gz MTLMVYLMTANRBX-NXHRZFHOSA-N 1 2 342.414 2.075 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COc2ccc(F)cc2C1 ZINC001017733465 1227686517 /nfs/dbraw/zinc/68/65/17/1227686517.db2.gz MTLMVYLMTANRBX-NXHRZFHOSA-N 1 2 342.414 2.075 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csnn2)C1 ZINC001054677890 1248850034 /nfs/dbraw/zinc/85/00/34/1248850034.db2.gz GDMDLMWKSQZHRG-BXKDBHETSA-N 1 2 328.869 2.253 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@H]([NH2+]Cc2ncc(CC)o2)C1 ZINC001018972592 1228595353 /nfs/dbraw/zinc/59/53/53/1228595353.db2.gz DPHZAALPPAKUHM-AWEZNQCLSA-N 1 2 328.416 2.229 20 30 EEEDLO N#Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001019363823 1229029033 /nfs/dbraw/zinc/02/90/33/1229029033.db2.gz DPRRTWPFZMPKHB-ZDUSSCGKSA-N 1 2 345.353 2.223 20 30 EEEDLO CC(C)c1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001038169738 1229675031 /nfs/dbraw/zinc/67/50/31/1229675031.db2.gz ODOMAWYKBRJUAU-MRXNPFEDSA-N 1 2 337.427 2.409 20 30 EEEDLO 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ZINC001049466521 1241001494 /nfs/dbraw/zinc/00/14/94/1241001494.db2.gz FYLUPFRGICJSJZ-JKSUJKDBSA-N 1 2 345.468 2.130 20 30 EEEDLO COc1nscc1C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C#CC1CC1 ZINC001049466521 1241001503 /nfs/dbraw/zinc/00/15/03/1241001503.db2.gz FYLUPFRGICJSJZ-JKSUJKDBSA-N 1 2 345.468 2.130 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cc(C(F)F)n(C)n2)CC1 ZINC001000946342 1241276623 /nfs/dbraw/zinc/27/66/23/1241276623.db2.gz NOOMRRNIWBTTJL-UHFFFAOYSA-N 1 2 344.793 2.472 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cc(C(F)F)n(C)n2)CC1 ZINC001000946342 1241276634 /nfs/dbraw/zinc/27/66/34/1241276634.db2.gz NOOMRRNIWBTTJL-UHFFFAOYSA-N 1 2 344.793 2.472 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)c2nc(C)[nH+]c(C)c2C)C1 ZINC001057034891 1241382800 /nfs/dbraw/zinc/38/28/00/1241382800.db2.gz QQRISSKAQIHOHI-BBWFWOEESA-N 1 2 344.459 2.030 20 30 EEEDLO C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(C)n[nH]c1C(F)(F)F ZINC001049598240 1241594223 /nfs/dbraw/zinc/59/42/23/1241594223.db2.gz LOQFFRIOMXARLB-VXGBXAGGSA-N 1 2 340.349 2.049 20 30 EEEDLO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(C)n[nH]c1C(F)(F)F ZINC001049598240 1241594232 /nfs/dbraw/zinc/59/42/32/1241594232.db2.gz LOQFFRIOMXARLB-VXGBXAGGSA-N 1 2 340.349 2.049 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3Cc2nccn2C)cc1 ZINC001049630626 1241701813 /nfs/dbraw/zinc/70/18/13/1241701813.db2.gz OFKMGZWJDIRJDM-MOPGFXCFSA-N 1 2 348.450 2.281 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2nccn2C)cc1 ZINC001049630626 1241701821 /nfs/dbraw/zinc/70/18/21/1241701821.db2.gz OFKMGZWJDIRJDM-MOPGFXCFSA-N 1 2 348.450 2.281 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1nnc(CC)o1 ZINC001049646003 1241750305 /nfs/dbraw/zinc/75/03/05/1241750305.db2.gz OPGLFOKWQONWFI-KGLIPLIRSA-N 1 2 332.448 2.410 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1nnc(CC)o1 ZINC001049646003 1241750313 /nfs/dbraw/zinc/75/03/13/1241750313.db2.gz OPGLFOKWQONWFI-KGLIPLIRSA-N 1 2 332.448 2.410 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3Cc2nccn2C)C1 ZINC001049710900 1241954416 /nfs/dbraw/zinc/95/44/16/1241954416.db2.gz ZEFYAAPZHIAESE-CVEARBPZSA-N 1 2 328.460 2.342 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2nccn2C)C1 ZINC001049710900 1241954436 /nfs/dbraw/zinc/95/44/36/1241954436.db2.gz ZEFYAAPZHIAESE-CVEARBPZSA-N 1 2 328.460 2.342 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC001001427755 1242247699 /nfs/dbraw/zinc/24/76/99/1242247699.db2.gz QHXSBWNSKVVUTJ-KRWDZBQOSA-N 1 2 348.830 2.327 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC001001427755 1242247711 /nfs/dbraw/zinc/24/77/11/1242247711.db2.gz QHXSBWNSKVVUTJ-KRWDZBQOSA-N 1 2 348.830 2.327 20 30 EEEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cccc(NC(N)=O)c2)CC1 ZINC001001435773 1242264826 /nfs/dbraw/zinc/26/48/26/1242264826.db2.gz KXRZEICZRGHBDF-UHFFFAOYSA-N 1 2 348.834 2.292 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cccc(NC(N)=O)c2)CC1 ZINC001001435773 1242264840 /nfs/dbraw/zinc/26/48/40/1242264840.db2.gz KXRZEICZRGHBDF-UHFFFAOYSA-N 1 2 348.834 2.292 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC001073341484 1242363088 /nfs/dbraw/zinc/36/30/88/1242363088.db2.gz ILCIUGCWDDWGFQ-IIAWOOMASA-N 1 2 344.459 2.223 20 30 EEEDLO C=CCCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC001073341484 1242363097 /nfs/dbraw/zinc/36/30/97/1242363097.db2.gz ILCIUGCWDDWGFQ-IIAWOOMASA-N 1 2 344.459 2.223 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001057237784 1242609568 /nfs/dbraw/zinc/60/95/68/1242609568.db2.gz BRLMULSSSDQOMR-SJORKVTESA-N 1 2 344.459 2.032 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](Cc4ncccn4)C[C@H]32)cc1 ZINC001050108124 1242892493 /nfs/dbraw/zinc/89/24/93/1242892493.db2.gz PZKUQBGEHLAHQW-RBUKOAKNSA-N 1 2 346.434 2.195 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](Cc4ncccn4)C[C@H]32)cc1 ZINC001050108124 1242892503 /nfs/dbraw/zinc/89/25/03/1242892503.db2.gz PZKUQBGEHLAHQW-RBUKOAKNSA-N 1 2 346.434 2.195 20 30 EEEDLO CSCC(=O)N1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001049967945 1242925880 /nfs/dbraw/zinc/92/58/80/1242925880.db2.gz WFZBCPNUPLMPNP-WMLDXEAASA-N 1 2 347.459 2.483 20 30 EEEDLO CSCC(=O)N1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001049967945 1242925888 /nfs/dbraw/zinc/92/58/88/1242925888.db2.gz WFZBCPNUPLMPNP-WMLDXEAASA-N 1 2 347.459 2.483 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccncc1)C2 ZINC001096731210 1243177139 /nfs/dbraw/zinc/17/71/39/1243177139.db2.gz TZZUSRWKTSIVJT-QRVBRYPASA-N 1 2 332.407 2.489 20 30 EEEDLO N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccncc1)C2 ZINC001096731210 1243177146 /nfs/dbraw/zinc/17/71/46/1243177146.db2.gz TZZUSRWKTSIVJT-QRVBRYPASA-N 1 2 332.407 2.489 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)[nH]n1 ZINC001096847625 1243363364 /nfs/dbraw/zinc/36/33/64/1243363364.db2.gz JMAINDXMBMTFLQ-NUJGCVRESA-N 1 2 335.411 2.125 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)[nH]n1 ZINC001096847625 1243363375 /nfs/dbraw/zinc/36/33/75/1243363375.db2.gz JMAINDXMBMTFLQ-NUJGCVRESA-N 1 2 335.411 2.125 20 30 EEEDLO Cc1cc(C)c(C(=O)NC[C@@H](Nc2ccncc2C#N)C2CC2)c(C)[nH+]1 ZINC001096857805 1243378570 /nfs/dbraw/zinc/37/85/70/1243378570.db2.gz BFTJPOSUEMGIGK-GOSISDBHSA-N 1 2 349.438 2.316 20 30 EEEDLO Cc1nn(C)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001096890363 1243424888 /nfs/dbraw/zinc/42/48/88/1243424888.db2.gz ASGCSNMSXMDOLT-QRQLOZEOSA-N 1 2 349.438 2.136 20 30 EEEDLO Cc1nn(C)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001096890363 1243424893 /nfs/dbraw/zinc/42/48/93/1243424893.db2.gz ASGCSNMSXMDOLT-QRQLOZEOSA-N 1 2 349.438 2.136 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)[nH]1 ZINC001096972656 1243508478 /nfs/dbraw/zinc/50/84/78/1243508478.db2.gz VGOAAABWLSCVEZ-QRQLOZEOSA-N 1 2 345.406 2.293 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)[nH]1 ZINC001096972656 1243508485 /nfs/dbraw/zinc/50/84/85/1243508485.db2.gz VGOAAABWLSCVEZ-QRQLOZEOSA-N 1 2 345.406 2.293 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1nsc2ccccc21 ZINC001050935477 1244661769 /nfs/dbraw/zinc/66/17/69/1244661769.db2.gz ZJMLLWWFDBEBFW-CYBMUJFWSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1nsc2ccccc21 ZINC001050935477 1244661779 /nfs/dbraw/zinc/66/17/79/1244661779.db2.gz ZJMLLWWFDBEBFW-CYBMUJFWSA-N 1 2 331.441 2.303 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC001050997345 1244817459 /nfs/dbraw/zinc/81/74/59/1244817459.db2.gz VDASMMHIMQYPRW-RDJZCZTQSA-N 1 2 346.475 2.169 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC001050997345 1244817468 /nfs/dbraw/zinc/81/74/68/1244817468.db2.gz VDASMMHIMQYPRW-RDJZCZTQSA-N 1 2 346.475 2.169 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(C)noc1C1CC1 ZINC001051030149 1244878697 /nfs/dbraw/zinc/87/86/97/1244878697.db2.gz WSKBRRAOTOBSKN-OAHLLOKOSA-N 1 2 333.432 2.257 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1c(C)noc1C1CC1 ZINC001051030149 1244878706 /nfs/dbraw/zinc/87/87/06/1244878706.db2.gz WSKBRRAOTOBSKN-OAHLLOKOSA-N 1 2 333.432 2.257 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001051095886 1244973659 /nfs/dbraw/zinc/97/36/59/1244973659.db2.gz OJWXHHWAUHTLET-OAHLLOKOSA-N 1 2 343.427 2.183 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC001051095886 1244973664 /nfs/dbraw/zinc/97/36/64/1244973664.db2.gz OJWXHHWAUHTLET-OAHLLOKOSA-N 1 2 343.427 2.183 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnc(OC(C)C)c1 ZINC001051203862 1245386071 /nfs/dbraw/zinc/38/60/71/1245386071.db2.gz KYXULHDMFUEGOC-QGZVFWFLSA-N 1 2 347.459 2.266 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnc(OC(C)C)c1 ZINC001051203862 1245386077 /nfs/dbraw/zinc/38/60/77/1245386077.db2.gz KYXULHDMFUEGOC-QGZVFWFLSA-N 1 2 347.459 2.266 20 30 EEEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCC)CC(C)C)C2 ZINC001111480125 1245525047 /nfs/dbraw/zinc/52/50/47/1245525047.db2.gz IDWWIAGGGWRNON-MLHJIOFPSA-N 1 2 349.519 2.473 20 30 EEEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCC)CC(C)C)C2 ZINC001111480125 1245525053 /nfs/dbraw/zinc/52/50/53/1245525053.db2.gz IDWWIAGGGWRNON-MLHJIOFPSA-N 1 2 349.519 2.473 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCC1CCC1)c1nccn12 ZINC001101620325 1246050292 /nfs/dbraw/zinc/05/02/92/1246050292.db2.gz HKFXJZIAZBMKEF-MRXNPFEDSA-N 1 2 326.444 2.059 20 30 EEEDLO C=CCn1cccc1C(=O)NC[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C ZINC001053214121 1246056177 /nfs/dbraw/zinc/05/61/77/1246056177.db2.gz NBFXMZLTKZYDNB-GDBMZVCRSA-N 1 2 339.443 2.275 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)C(C)(C)C)c1nccn12 ZINC001101632106 1246061727 /nfs/dbraw/zinc/06/17/27/1246061727.db2.gz ABWZUKIEPNMUNH-LSDHHAIUSA-N 1 2 328.460 2.161 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)Cc1ccco1)c1nccn12 ZINC001101647613 1246077607 /nfs/dbraw/zinc/07/76/07/1246077607.db2.gz FUWFJCKVHQNYHU-GOEBONIOSA-N 1 2 340.427 2.113 20 30 EEEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1noc3c1CCCC3)CCO2 ZINC001053443606 1246336427 /nfs/dbraw/zinc/33/64/27/1246336427.db2.gz CSTWNJBLFYUWPQ-UHFFFAOYSA-N 1 2 345.443 2.046 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)C(C)=C3CCC3)C2)CC1 ZINC001052026551 1246389744 /nfs/dbraw/zinc/38/97/44/1246389744.db2.gz QIKUXBAMXBZWBR-KRWDZBQOSA-N 1 2 337.895 2.458 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCC34CC4)C2)CC1 ZINC001052043070 1246412588 /nfs/dbraw/zinc/41/25/88/1246412588.db2.gz NZDKEONZAHURNJ-MSOLQXFVSA-N 1 2 331.504 2.361 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 ZINC001052112572 1246493749 /nfs/dbraw/zinc/49/37/49/1246493749.db2.gz ZMUXWMLNNIZRMU-FQEVSTJZSA-N 1 2 341.499 2.414 20 30 EEEDLO CC1=C(C)C[C@@](C)(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)CC1 ZINC001052123731 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334.383 2.450 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](Cc2cncc(F)c2)C[C@@H]1O ZINC001099846826 1258415834 /nfs/dbraw/zinc/41/58/34/1258415834.db2.gz CLBNAQYYZXXAOQ-ROUUACIJSA-N 1 2 347.434 2.041 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](Cc2cncc(F)c2)C[C@@H]1O ZINC001099846826 1258415836 /nfs/dbraw/zinc/41/58/36/1258415836.db2.gz CLBNAQYYZXXAOQ-ROUUACIJSA-N 1 2 347.434 2.041 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)cs2)C[C@@H]1O ZINC001099847109 1258415904 /nfs/dbraw/zinc/41/59/04/1258415904.db2.gz HNFMBAYLHSPPGZ-HOTGVXAUSA-N 1 2 349.500 2.271 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](Cc2nc(C)cs2)C[C@@H]1O ZINC001099847109 1258415905 /nfs/dbraw/zinc/41/59/05/1258415905.db2.gz HNFMBAYLHSPPGZ-HOTGVXAUSA-N 1 2 349.500 2.271 20 30 EEEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)cn3)C[C@@H]2O)CCC1 ZINC001099998480 1258483899 /nfs/dbraw/zinc/48/38/99/1258483899.db2.gz HSGBWPWXRLWVGK-IRXDYDNUSA-N 1 2 347.434 2.019 20 30 EEEDLO 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/nfs/dbraw/zinc/73/40/56/1309734056.db2.gz XSLGUWICACQHAY-ZIAGYGMSSA-N 1 2 326.404 2.060 20 30 EEEDLO CCc1nc(N2CC[C@]3(NC(=O)C#CC4CC4)CCC[C@@H]23)cc(C)[nH+]1 ZINC001123413753 1310555551 /nfs/dbraw/zinc/55/55/51/1310555551.db2.gz RSOMVHBJDJHKBZ-OXQOHEQNSA-N 1 2 338.455 2.378 20 30 EEEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001123839787 1310726725 /nfs/dbraw/zinc/72/67/25/1310726725.db2.gz SMDJCESOBNHJOM-ZIAGYGMSSA-N 1 2 342.447 2.416 20 30 EEEDLO N#Cc1cccnc1NC[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001123887477 1310751163 /nfs/dbraw/zinc/75/11/63/1310751163.db2.gz PTDYSNWSNSOXKH-DZGCQCFKSA-N 1 2 338.415 2.006 20 30 EEEDLO N#Cc1cccnc1NC[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001123887477 1310751172 /nfs/dbraw/zinc/75/11/72/1310751172.db2.gz PTDYSNWSNSOXKH-DZGCQCFKSA-N 1 2 338.415 2.006 20 30 EEEDLO CCCc1nc(C[NH2+][C@@H]2C[C@H](NC(=O)C#CC(C)C)C23CCC3)no1 ZINC001202866135 1314666829 /nfs/dbraw/zinc/66/68/29/1314666829.db2.gz HOMFKJVDSRZYSM-CABCVRRESA-N 1 2 344.459 2.199 20 30 EEEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C2(CCOCC2)[C@H]1C1CC1 ZINC000839960903 1315265095 /nfs/dbraw/zinc/26/50/95/1315265095.db2.gz RUTDXZQVUUTMAY-GOSISDBHSA-N 1 2 339.439 2.365 20 30 EEEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C2(CCOCC2)[C@H]1C1CC1 ZINC000839960903 1315265101 /nfs/dbraw/zinc/26/51/01/1315265101.db2.gz RUTDXZQVUUTMAY-GOSISDBHSA-N 1 2 339.439 2.365 20 30 EEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000840279541 1315344063 /nfs/dbraw/zinc/34/40/63/1315344063.db2.gz BHGYRVKNYQWDJY-FUHWJXTLSA-N 1 2 331.460 2.194 20 30 EEEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000840279541 1315344066 /nfs/dbraw/zinc/34/40/66/1315344066.db2.gz BHGYRVKNYQWDJY-FUHWJXTLSA-N 1 2 331.460 2.194 20 30 EEEDLO CCc1ccc(C#CC(=O)N(C)C(C)(C)C[NH+]2CCOCC2)cc1 ZINC000840568576 1315377998 /nfs/dbraw/zinc/37/79/98/1315377998.db2.gz PZDYVHCDLJCTFQ-UHFFFAOYSA-N 1 2 328.456 2.170 20 30 EEEDLO O=C(C#CC1CC1)NC[C@H]1C[N@H+](Cc2c(F)cccc2F)CCCO1 ZINC001149693922 1316016863 /nfs/dbraw/zinc/01/68/63/1316016863.db2.gz DSIYRZIQKIGIHS-HNNXBMFYSA-N 1 2 348.393 2.085 20 30 EEEDLO O=C(C#CC1CC1)NC[C@H]1C[N@@H+](Cc2c(F)cccc2F)CCCO1 ZINC001149693922 1316016866 /nfs/dbraw/zinc/01/68/66/1316016866.db2.gz DSIYRZIQKIGIHS-HNNXBMFYSA-N 1 2 348.393 2.085 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1C[N@H+](CC(=C)Cl)CCCO1 ZINC001150046725 1316137421 /nfs/dbraw/zinc/13/74/21/1316137421.db2.gz CWEHJDSOEGTZFB-NVXWUHKLSA-N 1 2 344.883 2.175 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1C[N@@H+](CC(=C)Cl)CCCO1 ZINC001150046725 1316137427 /nfs/dbraw/zinc/13/74/27/1316137427.db2.gz CWEHJDSOEGTZFB-NVXWUHKLSA-N 1 2 344.883 2.175 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1C[N@H+](Cc2ccc(F)cn2)CCCO1 ZINC001150224669 1316205900 /nfs/dbraw/zinc/20/59/00/1316205900.db2.gz NCPYUSTXKTULNF-QGZVFWFLSA-N 1 2 335.423 2.284 20 30 EEEDLO C=CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(F)cn2)CCCO1 ZINC001150224669 1316205910 /nfs/dbraw/zinc/20/59/10/1316205910.db2.gz NCPYUSTXKTULNF-QGZVFWFLSA-N 1 2 335.423 2.284 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccns2)CCCO1 ZINC001150371776 1316245917 /nfs/dbraw/zinc/24/59/17/1316245917.db2.gz LGIABVXSHIBIMF-CQSZACIVSA-N 1 2 337.489 2.453 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccns2)CCCO1 ZINC001150371776 1316245922 /nfs/dbraw/zinc/24/59/22/1316245922.db2.gz LGIABVXSHIBIMF-CQSZACIVSA-N 1 2 337.489 2.453 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)CC#Cc2ccccc2)C1 ZINC001150770904 1316369568 /nfs/dbraw/zinc/36/95/68/1316369568.db2.gz IOYNAJHSECJHCW-SFHVURJKSA-N 1 2 346.858 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)CC#Cc2ccccc2)C1 ZINC001150770904 1316369570 /nfs/dbraw/zinc/36/95/70/1316369570.db2.gz IOYNAJHSECJHCW-SFHVURJKSA-N 1 2 346.858 2.388 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1C ZINC001206640035 1316491013 /nfs/dbraw/zinc/49/10/13/1316491013.db2.gz CVOUYBAQHUDAGM-CKEIUWERSA-N 1 2 329.448 2.094 20 30 EEEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccn(C3CCCC3)n2)C[C@H]1C ZINC001206640035 1316491019 /nfs/dbraw/zinc/49/10/19/1316491019.db2.gz CVOUYBAQHUDAGM-CKEIUWERSA-N 1 2 329.448 2.094 20 30 EEEDLO C#CCC1(C(=O)NCC[NH2+][C@H](C)c2nnc(CC)o2)CCCCC1 ZINC001153015386 1316759291 /nfs/dbraw/zinc/75/92/91/1316759291.db2.gz PEJNHIWDCNMMQU-CQSZACIVSA-N 1 2 332.448 2.373 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1noc2c1CCCC2 ZINC001153012843 1316759480 /nfs/dbraw/zinc/75/94/80/1316759480.db2.gz VPQFWQBJGWFBSP-AUUYWEPGSA-N 1 2 349.475 2.207 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1noc2c1CCCC2 ZINC001153012843 1316759483 /nfs/dbraw/zinc/75/94/83/1316759483.db2.gz VPQFWQBJGWFBSP-AUUYWEPGSA-N 1 2 349.475 2.207 20 30 EEEDLO CC[N@H+](Cc1ncc(Cl)n1C)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153281730 1316803753 /nfs/dbraw/zinc/80/37/53/1316803753.db2.gz YSQFEOXIKGDHEK-CYBMUJFWSA-N 1 2 338.883 2.450 20 30 EEEDLO CC[N@@H+](Cc1ncc(Cl)n1C)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153281730 1316803756 /nfs/dbraw/zinc/80/37/56/1316803756.db2.gz YSQFEOXIKGDHEK-CYBMUJFWSA-N 1 2 338.883 2.450 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1nocc1C ZINC001153442039 1316828489 /nfs/dbraw/zinc/82/84/89/1316828489.db2.gz SYNXTPPEQSZITE-INMHGKMJSA-N 1 2 335.448 2.291 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1nocc1C ZINC001153442039 1316828493 /nfs/dbraw/zinc/82/84/93/1316828493.db2.gz SYNXTPPEQSZITE-INMHGKMJSA-N 1 2 335.448 2.291 20 30 EEEDLO CC(C)C(C#N)=CNNc1ccc(S(=O)(=O)NC(C)(C)C)c[nH+]1 ZINC001253449881 1317858692 /nfs/dbraw/zinc/85/86/92/1317858692.db2.gz QWHZULVGQMELHC-LBPRGKRZSA-N 1 2 337.449 2.352 20 30 EEEDLO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1ccn(C)n1 ZINC001156896954 1318272417 /nfs/dbraw/zinc/27/24/17/1318272417.db2.gz ZAIHMVDGXZVNIE-CYBMUJFWSA-N 1 2 343.406 2.071 20 30 EEEDLO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)CNC(=O)c1ccn(C)n1 ZINC001156896954 1318272430 /nfs/dbraw/zinc/27/24/30/1318272430.db2.gz ZAIHMVDGXZVNIE-CYBMUJFWSA-N 1 2 343.406 2.071 20 30 EEEDLO COc1ccc(C[NH2+]CCCNC(=O)C(F)C(F)(F)F)cc1C#N ZINC001158472222 1319256011 /nfs/dbraw/zinc/25/60/11/1319256011.db2.gz VHRNVZIBKNFOGT-ZDUSSCGKSA-N 1 2 347.312 2.063 20 30 EEEDLO COc1ccc(C[NH2+]CCCNC(=O)[C@H](F)C(F)(F)F)cc1C#N ZINC001158472222 1319256018 /nfs/dbraw/zinc/25/60/18/1319256018.db2.gz VHRNVZIBKNFOGT-ZDUSSCGKSA-N 1 2 347.312 2.063 20 30 EEEDLO N#Cc1c(Cl)ncnc1N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001158623495 1319339742 /nfs/dbraw/zinc/33/97/42/1319339742.db2.gz IIWBGVAHGNXMDI-LLVKDONJSA-N 1 2 327.766 2.311 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ncc(C)cn1 ZINC001158966610 1319536021 /nfs/dbraw/zinc/53/60/21/1319536021.db2.gz NLSGDINXOYIPGM-IAGOWNOFSA-N 1 2 346.475 2.189 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ncc(C)cn1 ZINC001158966610 1319536026 /nfs/dbraw/zinc/53/60/26/1319536026.db2.gz NLSGDINXOYIPGM-IAGOWNOFSA-N 1 2 346.475 2.189 20 30 EEEDLO Cc1cccn2c(CNS(=O)(=O)Cc3ccc(C#N)cc3)c[nH+]c12 ZINC001260045923 1319784105 /nfs/dbraw/zinc/78/41/05/1319784105.db2.gz UIOXQZKWDTZZTR-UHFFFAOYSA-N 1 2 340.408 2.134 20 30 EEEDLO CCc1noc([C@@H](C)[N@H+]2CC=C(CCNC(=O)C#CC3CC3)CC2)n1 ZINC001160084825 1320067319 /nfs/dbraw/zinc/06/73/19/1320067319.db2.gz WHKWSMDGLDLRGZ-CQSZACIVSA-N 1 2 342.443 2.245 20 30 EEEDLO CCc1noc([C@@H](C)[N@@H+]2CC=C(CCNC(=O)C#CC3CC3)CC2)n1 ZINC001160084825 1320067324 /nfs/dbraw/zinc/06/73/24/1320067324.db2.gz WHKWSMDGLDLRGZ-CQSZACIVSA-N 1 2 342.443 2.245 20 30 EEEDLO CC#CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H](C)CC)cc2)CC1 ZINC001163018614 1321016345 /nfs/dbraw/zinc/01/63/45/1321016345.db2.gz VPECTYRZCWQMRG-SFHVURJKSA-N 1 2 341.499 2.490 20 30 EEEDLO Cc1ccc([C@@H](C#N)c2ccc(N3CC[NH2+]CC(F)(F)C3)nn2)cc1 ZINC001164488839 1321394334 /nfs/dbraw/zinc/39/43/34/1321394334.db2.gz MZFGOQULFKRFKR-OAHLLOKOSA-N 1 2 343.381 2.485 20 30 EEEDLO N#Cc1nc(N2CCc3onc(Cn4cc[nH+]c4)c3C2)ccc1Cl ZINC001165546731 1321543899 /nfs/dbraw/zinc/54/38/99/1321543899.db2.gz KMWZINZQYGEMSQ-UHFFFAOYSA-N 1 2 340.774 2.402 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)cc1 ZINC001203901715 1321985234 /nfs/dbraw/zinc/98/52/34/1321985234.db2.gz QVHHCCROACAAHU-FQEVSTJZSA-N 1 2 349.438 2.220 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)cc1 ZINC001203901715 1321985237 /nfs/dbraw/zinc/98/52/37/1321985237.db2.gz QVHHCCROACAAHU-FQEVSTJZSA-N 1 2 349.438 2.220 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@](C)(C(=O)OC)C1 ZINC001262948766 1322402634 /nfs/dbraw/zinc/40/26/34/1322402634.db2.gz WNHHGUNLNPBBFX-RDTXWAMCSA-N 1 2 347.463 2.010 20 30 EEEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@](C)(C(=O)OC)C1 ZINC001262948766 1322402641 /nfs/dbraw/zinc/40/26/41/1322402641.db2.gz WNHHGUNLNPBBFX-RDTXWAMCSA-N 1 2 347.463 2.010 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2csc(C3CC3)n2)C[C@H]1C ZINC001206914615 1323697765 /nfs/dbraw/zinc/69/77/65/1323697765.db2.gz LJMGLASSVFXMTM-CDHAZOANSA-N 1 2 349.500 2.284 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2csc(C3CC3)n2)C[C@H]1C ZINC001206914615 1323697769 /nfs/dbraw/zinc/69/77/69/1323697769.db2.gz LJMGLASSVFXMTM-CDHAZOANSA-N 1 2 349.500 2.284 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001206918337 1323702086 /nfs/dbraw/zinc/70/20/86/1323702086.db2.gz VXTBVMIKSJDJSS-PJIJBLCYSA-N 1 2 349.475 2.236 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ncc(C(C)(C)C)o2)C[C@H]1C ZINC001206918337 1323702091 /nfs/dbraw/zinc/70/20/91/1323702091.db2.gz VXTBVMIKSJDJSS-PJIJBLCYSA-N 1 2 349.475 2.236 20 30 EEEDLO Cn1cc(C[N@@H+]2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)cc1C#N ZINC001207104163 1323851354 /nfs/dbraw/zinc/85/13/54/1323851354.db2.gz MKCQOVZLSPIENK-JKSUJKDBSA-N 1 2 330.432 2.480 20 30 EEEDLO Cn1cc(C[N@H+]2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)cc1C#N ZINC001207104163 1323851360 /nfs/dbraw/zinc/85/13/60/1323851360.db2.gz MKCQOVZLSPIENK-JKSUJKDBSA-N 1 2 330.432 2.480 20 30 EEEDLO Cn1nc2ccccc2c1C[N@@H+]1CC[C@@H]2C[C@@]21C(=O)NC1(C#N)CCC1 ZINC001279862239 1324017948 /nfs/dbraw/zinc/01/79/48/1324017948.db2.gz 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344.459 2.100 20 30 EEEDLO Cc1cc(C)c(NC(=O)C[N@H+](C)CCN(C)C(=O)[C@H](C)C#N)c(C)c1 ZINC001392264003 1389937027 /nfs/dbraw/zinc/93/70/27/1389937027.db2.gz AOXYYZZALPLKRZ-MRXNPFEDSA-N 1 2 344.459 2.100 20 30 EEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cc1cccc(NC(C)=O)c1 ZINC001392726393 1390177524 /nfs/dbraw/zinc/17/75/24/1390177524.db2.gz VSIAQENTFCMBAK-ZDUSSCGKSA-N 1 2 337.851 2.377 20 30 EEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cc1cccc(NC(C)=O)c1 ZINC001392726393 1390177529 /nfs/dbraw/zinc/17/75/29/1390177529.db2.gz VSIAQENTFCMBAK-ZDUSSCGKSA-N 1 2 337.851 2.377 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)CCc2nccs2)s1 ZINC001392872572 1390228940 /nfs/dbraw/zinc/22/89/40/1390228940.db2.gz OJFVJFGZEYPEDU-LBPRGKRZSA-N 1 2 346.481 2.400 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)CCc2nccs2)s1 ZINC001392872572 1390228935 /nfs/dbraw/zinc/22/89/35/1390228935.db2.gz OJFVJFGZEYPEDU-LBPRGKRZSA-N 1 2 346.481 2.400 20 30 EEEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)[C@]1(C)CCOC1 ZINC001393643079 1390508591 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Cc1nc(C)c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)[nH]1 ZINC000981977338 778736574 /nfs/dbraw/zinc/73/65/74/778736574.db2.gz CLHCTMNWAOOOFK-UHFFFAOYSA-N 1 2 343.456 2.308 20 30 EEEDLO CC(C)c1nnc(C[N@@H+]2C[C@@]3(C)CN(C(=O)[C@H](C)C#N)C[C@@]3(C)C2)o1 ZINC000982236645 779362157 /nfs/dbraw/zinc/36/21/57/779362157.db2.gz MNTAWIBRPZXVSV-XWIAVFTESA-N 1 2 345.447 2.023 20 30 EEEDLO CC(C)c1nnc(C[N@H+]2C[C@@]3(C)CN(C(=O)[C@H](C)C#N)C[C@@]3(C)C2)o1 ZINC000982236645 779362166 /nfs/dbraw/zinc/36/21/66/779362166.db2.gz MNTAWIBRPZXVSV-XWIAVFTESA-N 1 2 345.447 2.023 20 30 EEEDLO C[C@H](C#N)CNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000182687631 779493668 /nfs/dbraw/zinc/49/36/68/779493668.db2.gz ZOMKWTLXCMJOHC-CQSZACIVSA-N 1 2 329.448 2.180 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3ccn(C4CCCC4)n3)C[C@H]21 ZINC001075620858 779648425 /nfs/dbraw/zinc/64/84/25/779648425.db2.gz GMCNOFAFDKTPJW-RLFYNMQTSA-N 1 2 341.459 2.191 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C4CCCC4)n3)C[C@H]21 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PHOFKBDOVGQULQ-IAGOWNOFSA-N 1 2 340.402 2.078 20 30 EEEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC001087464560 781042856 /nfs/dbraw/zinc/04/28/56/781042856.db2.gz PHOFKBDOVGQULQ-IAGOWNOFSA-N 1 2 340.402 2.078 20 30 EEEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCOC)c1nc(C)[nH+]c(C)c1C ZINC001126483315 781371563 /nfs/dbraw/zinc/37/15/63/781371563.db2.gz NSRXGUIHJVYKGH-UONOGXRCSA-N 1 2 348.491 2.429 20 30 EEEDLO C=CCOc1ccccc1C(=O)NC1C[NH+](CCOC2CCC2)C1 ZINC001030541970 790903465 /nfs/dbraw/zinc/90/34/65/790903465.db2.gz HLQXVIWDFWDTPM-UHFFFAOYSA-N 1 2 330.428 2.235 20 30 EEEDLO Cc1cnc(C[N@H+]2C[C@H](NC(=O)CSCC#N)CC[C@H]2C)s1 ZINC001131828903 783322179 /nfs/dbraw/zinc/32/21/79/783322179.db2.gz AEIYIIQJVDOANU-DGCLKSJQSA-N 1 2 338.502 2.177 20 30 EEEDLO Cc1cnc(C[N@@H+]2C[C@H](NC(=O)CSCC#N)CC[C@H]2C)s1 ZINC001131828903 783322188 /nfs/dbraw/zinc/32/21/88/783322188.db2.gz AEIYIIQJVDOANU-DGCLKSJQSA-N 1 2 338.502 2.177 20 30 EEEDLO CCCc1noc(C[NH2+][C@H]2CCCCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC001088281537 783352724 /nfs/dbraw/zinc/35/27/24/783352724.db2.gz PCGGNPMSIWMCRD-KBPBESRZSA-N 1 2 333.436 2.043 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCCCC[C@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001088281958 783354725 /nfs/dbraw/zinc/35/47/25/783354725.db2.gz WXSXAROXIBKTLV-KGLIPLIRSA-N 1 2 347.463 2.388 20 30 EEEDLO CN(C(=O)[C@@H]1CCCO1)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001005087617 783417371 /nfs/dbraw/zinc/41/73/71/783417371.db2.gz JGDONLWXNWFFJR-SFHVURJKSA-N 1 2 345.418 2.299 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)on2)C1 ZINC001131940202 783498413 /nfs/dbraw/zinc/49/84/13/783498413.db2.gz ZZCPCHSCMODYFO-ZBFHGGJFSA-N 1 2 335.448 2.435 20 30 EEEDLO C=CCOCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C)on2)C1 ZINC001131940202 783498415 /nfs/dbraw/zinc/49/84/15/783498415.db2.gz ZZCPCHSCMODYFO-ZBFHGGJFSA-N 1 2 335.448 2.435 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+]([C@H](C)c3nnc(C)o3)C2)cc1 ZINC001033319535 783529435 /nfs/dbraw/zinc/52/94/35/783529435.db2.gz UPIVHNITDRCKBW-CXAGYDPISA-N 1 2 338.411 2.267 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+]([C@H](C)c3nnc(C)o3)C2)cc1 ZINC001033319535 783529442 /nfs/dbraw/zinc/52/94/42/783529442.db2.gz UPIVHNITDRCKBW-CXAGYDPISA-N 1 2 338.411 2.267 20 30 EEEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001035041134 783599345 /nfs/dbraw/zinc/59/93/45/783599345.db2.gz JFQRUDASPNUDBT-CQSZACIVSA-N 1 2 330.432 2.384 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CC2(C)CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129098611 784024391 /nfs/dbraw/zinc/02/43/91/784024391.db2.gz MNCYQJASHPVXRH-SJORKVTESA-N 1 2 343.475 2.003 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CC2(C)CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129098611 784024392 /nfs/dbraw/zinc/02/43/92/784024392.db2.gz MNCYQJASHPVXRH-SJORKVTESA-N 1 2 343.475 2.003 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC001035372359 784390963 /nfs/dbraw/zinc/39/09/63/784390963.db2.gz AYGJRECJSSYFGM-KURKYZTESA-N 1 2 328.456 2.429 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC001035372359 784390971 /nfs/dbraw/zinc/39/09/71/784390971.db2.gz AYGJRECJSSYFGM-KURKYZTESA-N 1 2 328.456 2.429 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)nn2C(CC)CC)C1 ZINC001035425080 784468984 /nfs/dbraw/zinc/46/89/84/784468984.db2.gz UETXBHJHPFYWJN-INIZCTEOSA-N 1 2 334.464 2.169 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)nn2C(CC)CC)C1 ZINC001035425080 784468990 /nfs/dbraw/zinc/46/89/90/784468990.db2.gz UETXBHJHPFYWJN-INIZCTEOSA-N 1 2 334.464 2.169 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001035466018 784589213 /nfs/dbraw/zinc/58/92/13/784589213.db2.gz KLJDYVMDKNUNNC-MRXNPFEDSA-N 1 2 343.427 2.183 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001035466018 784589217 /nfs/dbraw/zinc/58/92/17/784589217.db2.gz KLJDYVMDKNUNNC-MRXNPFEDSA-N 1 2 343.427 2.183 20 30 EEEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2oc(CC(C)C)nc2C)C1 ZINC001035536585 784638512 /nfs/dbraw/zinc/63/85/12/784638512.db2.gz TYIGMNHUJOYRNK-OAHLLOKOSA-N 1 2 335.448 2.188 20 30 EEEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)c2oc(CC(C)C)nc2C)C1 ZINC001035536585 784638513 /nfs/dbraw/zinc/63/85/13/784638513.db2.gz TYIGMNHUJOYRNK-OAHLLOKOSA-N 1 2 335.448 2.188 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C(F)F)cc2F)C1 ZINC001035553505 784723670 /nfs/dbraw/zinc/72/36/70/784723670.db2.gz DQISWXXCQVCULI-LBPRGKRZSA-N 1 2 328.334 2.380 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C(F)F)cc2F)C1 ZINC001035553505 784723681 /nfs/dbraw/zinc/72/36/81/784723681.db2.gz DQISWXXCQVCULI-LBPRGKRZSA-N 1 2 328.334 2.380 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001035591410 784803635 /nfs/dbraw/zinc/80/36/35/784803635.db2.gz WANJDKHTLCOLDX-SFHVURJKSA-N 1 2 331.460 2.149 20 30 EEEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(N(CC)CC)cc2)C1 ZINC001035591410 784803641 /nfs/dbraw/zinc/80/36/41/784803641.db2.gz WANJDKHTLCOLDX-SFHVURJKSA-N 1 2 331.460 2.149 20 30 EEEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)C2CC(c3cccc(F)c3)C2)C1 ZINC001035621219 784812023 /nfs/dbraw/zinc/81/20/23/784812023.db2.gz LMPWGTKUCRCZIK-LEOMRAHMSA-N 1 2 332.419 2.322 20 30 EEEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)C2CC(c3cccc(F)c3)C2)C1 ZINC001035621219 784812026 /nfs/dbraw/zinc/81/20/26/784812026.db2.gz LMPWGTKUCRCZIK-LEOMRAHMSA-N 1 2 332.419 2.322 20 30 EEEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)c1cc(OC)ns1)CC2 ZINC001035707855 784990628 /nfs/dbraw/zinc/99/06/28/784990628.db2.gz NYISDSCYZGLAGZ-UHFFFAOYSA-N 1 2 341.864 2.442 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C(C)(C)C1 ZINC000996136706 786055595 /nfs/dbraw/zinc/05/55/95/786055595.db2.gz JWJCYRPWFFPATN-CYBMUJFWSA-N 1 2 332.448 2.486 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]([NH2+]Cc2nc(N(C)C)no2)C(C)(C)C1 ZINC000996132968 786071883 /nfs/dbraw/zinc/07/18/83/786071883.db2.gz HFWWMEZNRLRQQC-ZDUSSCGKSA-N 1 2 349.479 2.065 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CCOCC3CC3)CC2)C1 ZINC001105708471 786148698 /nfs/dbraw/zinc/14/86/98/786148698.db2.gz JOSASAZTJMHPCB-UHFFFAOYSA-N 1 2 336.476 2.071 20 30 EEEDLO O=C(NCC[NH2+]CC#Cc1ccccc1Cl)C(F)C(F)(F)F ZINC001127731019 786219110 /nfs/dbraw/zinc/21/91/10/786219110.db2.gz CNUKHFBETVDFRG-LBPRGKRZSA-N 1 2 336.716 2.298 20 30 EEEDLO O=C(NCC[NH2+]CC#Cc1ccccc1Cl)[C@H](F)C(F)(F)F ZINC001127731019 786219115 /nfs/dbraw/zinc/21/91/15/786219115.db2.gz CNUKHFBETVDFRG-LBPRGKRZSA-N 1 2 336.716 2.298 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)[C@@H](O)C1 ZINC001090535456 786778218 /nfs/dbraw/zinc/77/82/18/786778218.db2.gz UFGAFDUXCVVDLX-CVEARBPZSA-N 1 2 333.819 2.085 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)[C@@H](O)C1 ZINC001090535456 786778227 /nfs/dbraw/zinc/77/82/27/786778227.db2.gz UFGAFDUXCVVDLX-CVEARBPZSA-N 1 2 333.819 2.085 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)cs3)C[C@H]2O)CC1 ZINC001090544588 786828246 /nfs/dbraw/zinc/82/82/46/786828246.db2.gz CKFQAOFMHFVOEI-HZPDHXFCSA-N 1 2 349.500 2.249 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C)cs3)C[C@H]2O)CC1 ZINC001090544588 786828259 /nfs/dbraw/zinc/82/82/59/786828259.db2.gz CKFQAOFMHFVOEI-HZPDHXFCSA-N 1 2 349.500 2.249 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ccnc(Cl)c3)C[C@@H]2O)C1 ZINC001090553889 786890787 /nfs/dbraw/zinc/89/07/87/786890787.db2.gz SVJYBHKJHCCUTK-GJZGRUSLSA-N 1 2 349.862 2.143 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ccnc(Cl)c3)C[C@@H]2O)C1 ZINC001090553889 786890795 /nfs/dbraw/zinc/89/07/95/786890795.db2.gz SVJYBHKJHCCUTK-GJZGRUSLSA-N 1 2 349.862 2.143 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)cc(Cl)c2)[C@@H](O)C1 ZINC001090593239 787171791 /nfs/dbraw/zinc/17/17/91/787171791.db2.gz JLPGHKQFDPWXLS-KGLIPLIRSA-N 1 2 347.217 2.397 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(F)cc(Cl)c2)[C@@H](O)C1 ZINC001090593239 787171794 /nfs/dbraw/zinc/17/17/94/787171794.db2.gz JLPGHKQFDPWXLS-KGLIPLIRSA-N 1 2 347.217 2.397 20 30 EEEDLO C=CCCC(=O)N[C@H]1C[C@H](Nc2[nH+]cnc3c2cnn3C)C12CCC2 ZINC001090600070 787195829 /nfs/dbraw/zinc/19/58/29/787195829.db2.gz QMSYIWRDMMDVSC-KBPBESRZSA-N 1 2 340.431 2.169 20 30 EEEDLO C#CCCCC(=O)N1CCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001062167743 787524069 /nfs/dbraw/zinc/52/40/69/787524069.db2.gz PFZNTAKZFSZOTI-DLBZAZTESA-N 1 2 344.459 2.135 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001062173367 787537413 /nfs/dbraw/zinc/53/74/13/787537413.db2.gz AMZZFFGEFYBDFY-OAHLLOKOSA-N 1 2 346.475 2.442 20 30 EEEDLO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001067513029 787555476 /nfs/dbraw/zinc/55/54/76/787555476.db2.gz HZNRQMKGXACVBB-OAHLLOKOSA-N 1 2 334.464 2.252 20 30 EEEDLO C=C(C)CCC(=O)N(C)CCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001067513029 787555482 /nfs/dbraw/zinc/55/54/82/787555482.db2.gz HZNRQMKGXACVBB-OAHLLOKOSA-N 1 2 334.464 2.252 20 30 EEEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC/C=C\CNc1cc[nH+]c(C)n1 ZINC001107550169 787578440 /nfs/dbraw/zinc/57/84/40/787578440.db2.gz WNHLWHALQXJHRC-PFOQBSPMSA-N 1 2 330.432 2.241 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCCC1 ZINC001109633033 805802429 /nfs/dbraw/zinc/80/24/29/805802429.db2.gz MAAJHFBAWVTGGL-BGTYHANMSA-N 1 2 347.503 2.369 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCCC1 ZINC001109633033 805802438 /nfs/dbraw/zinc/80/24/38/805802438.db2.gz MAAJHFBAWVTGGL-BGTYHANMSA-N 1 2 347.503 2.369 20 30 EEEDLO Cc1nsc(NC/C=C/CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1C#N ZINC001107549126 787600344 /nfs/dbraw/zinc/60/03/44/787600344.db2.gz GXPNEZGKQNZYAJ-UFFNRZRYSA-N 1 2 344.444 2.009 20 30 EEEDLO Cc1nsc(NC/C=C/CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1C#N ZINC001107549126 787600349 /nfs/dbraw/zinc/60/03/49/787600349.db2.gz GXPNEZGKQNZYAJ-UFFNRZRYSA-N 1 2 344.444 2.009 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001062256178 787729788 /nfs/dbraw/zinc/72/97/88/787729788.db2.gz XVTKQFWYUDQKBB-OAHLLOKOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001062256178 787729797 /nfs/dbraw/zinc/72/97/97/787729797.db2.gz XVTKQFWYUDQKBB-OAHLLOKOSA-N 1 2 332.448 2.052 20 30 EEEDLO C=CC(C)(C)CC(=O)NC[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001062285799 787807427 /nfs/dbraw/zinc/80/74/27/787807427.db2.gz BADQBBZTBDMXKS-MRXNPFEDSA-N 1 2 346.475 2.373 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ccc3F)C[C@H]2O)C1 ZINC001077643332 787944721 /nfs/dbraw/zinc/94/47/21/787944721.db2.gz CRFXPMVTONWPOB-IAGOWNOFSA-N 1 2 332.419 2.152 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ccc3F)C[C@H]2O)C1 ZINC001077643332 787944723 /nfs/dbraw/zinc/94/47/23/787944723.db2.gz CRFXPMVTONWPOB-IAGOWNOFSA-N 1 2 332.419 2.152 20 30 EEEDLO C=C(C)CCC(=O)N1CCC[C@@H](N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001079010290 787985036 /nfs/dbraw/zinc/98/50/36/787985036.db2.gz BZLLFGKCXIOJMW-QGZVFWFLSA-N 1 2 346.475 2.469 20 30 EEEDLO CC(C)(F)C(=O)NC[C@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107687120 788050120 /nfs/dbraw/zinc/05/01/20/788050120.db2.gz IENCZKMGBNNFTI-GOSISDBHSA-N 1 2 333.407 2.013 20 30 EEEDLO CC(C)(F)C(=O)NC[C@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107687120 788050127 /nfs/dbraw/zinc/05/01/27/788050127.db2.gz IENCZKMGBNNFTI-GOSISDBHSA-N 1 2 333.407 2.013 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnnn2CC)CC1 ZINC001109680364 805869604 /nfs/dbraw/zinc/86/96/04/805869604.db2.gz FIENYXLQSRRKIP-PVAVHDDUSA-N 1 2 343.475 2.266 20 30 EEEDLO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnnn2CC)CC1 ZINC001109680364 805869612 /nfs/dbraw/zinc/86/96/12/805869612.db2.gz FIENYXLQSRRKIP-PVAVHDDUSA-N 1 2 343.475 2.266 20 30 EEEDLO CC1(C)CC(=O)C=C(NC(=O)[C@H]2[C@@H](O)CC[N@@H+]2Cc2ccccc2)C1 ZINC001143674193 788735915 /nfs/dbraw/zinc/73/59/15/788735915.db2.gz BJHWUTDGTIJFDW-ZWKOTPCHSA-N 1 2 342.439 2.011 20 30 EEEDLO CC1(C)CC(=O)C=C(NC(=O)[C@H]2[C@@H](O)CC[N@H+]2Cc2ccccc2)C1 ZINC001143674193 788735920 /nfs/dbraw/zinc/73/59/20/788735920.db2.gz BJHWUTDGTIJFDW-ZWKOTPCHSA-N 1 2 342.439 2.011 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)nc1 ZINC001144160373 789309515 /nfs/dbraw/zinc/30/95/15/789309515.db2.gz HWRRELGNGFSFKK-WBVHZDCISA-N 1 2 336.395 2.283 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)nc1 ZINC001144160373 789309524 /nfs/dbraw/zinc/30/95/24/789309524.db2.gz HWRRELGNGFSFKK-WBVHZDCISA-N 1 2 336.395 2.283 20 30 EEEDLO C=C(Cl)C[NH2+]C1CC(CNC(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC001091063808 789662245 /nfs/dbraw/zinc/66/22/45/789662245.db2.gz QIGCJNZFWNYWBP-UHFFFAOYSA-N 1 2 345.834 2.322 20 30 EEEDLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)NC1(C#N)CCCCC1 ZINC000845277981 789704478 /nfs/dbraw/zinc/70/44/78/789704478.db2.gz QUQUBUWIMGSJEK-UONOGXRCSA-N 1 2 332.404 2.109 20 30 EEEDLO C[C@H](CC(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O)n1cc[nH+]c1 ZINC000845279720 789707607 /nfs/dbraw/zinc/70/76/07/789707607.db2.gz YKOUYASZIHVSNC-CJNGLKHVSA-N 1 2 338.367 2.055 20 30 EEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc(-c3ccccn3)s2)C1 ZINC000923578551 789805757 /nfs/dbraw/zinc/80/57/57/789805757.db2.gz DKBNRTULOFRBRS-CYBMUJFWSA-N 1 2 326.425 2.033 20 30 EEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(-c3ccccn3)s2)C1 ZINC000923578551 789805762 /nfs/dbraw/zinc/80/57/62/789805762.db2.gz DKBNRTULOFRBRS-CYBMUJFWSA-N 1 2 326.425 2.033 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](CNC(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001060832712 789962556 /nfs/dbraw/zinc/96/25/56/789962556.db2.gz NVPFZKSGMVCNRC-SHTZXODSSA-N 1 2 344.459 2.100 20 30 EEEDLO Cc1nc(N2CCN(C(=O)Nc3cc(C#N)ccc3F)CC2)cc[nH+]1 ZINC000888364704 790224941 /nfs/dbraw/zinc/22/49/41/790224941.db2.gz MGUFFHDHUQYTGG-UHFFFAOYSA-N 1 2 340.362 2.150 20 30 EEEDLO C=CCCC(=O)NC1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCC1 ZINC001063553351 791287040 /nfs/dbraw/zinc/28/70/40/791287040.db2.gz KSAHSXHSPSMIIE-UHFFFAOYSA-N 1 2 326.400 2.298 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn3cc(OC)ccc23)[C@H]1C ZINC001088925217 791561412 /nfs/dbraw/zinc/56/14/12/791561412.db2.gz LVRGFWZPPROCAY-DOMZBBRYSA-N 1 2 348.834 2.288 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn3cc(OC)ccc23)[C@H]1C ZINC001088925217 791561417 /nfs/dbraw/zinc/56/14/17/791561417.db2.gz LVRGFWZPPROCAY-DOMZBBRYSA-N 1 2 348.834 2.288 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c3ccccc23)[C@H](O)C1 ZINC001090401153 791778917 /nfs/dbraw/zinc/77/89/17/791778917.db2.gz ATDXPNOUZAEYKH-JKSUJKDBSA-N 1 2 333.819 2.085 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c3ccccc23)[C@H](O)C1 ZINC001090401153 791778919 /nfs/dbraw/zinc/77/89/19/791778919.db2.gz ATDXPNOUZAEYKH-JKSUJKDBSA-N 1 2 333.819 2.085 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(CC)n1C)C2 ZINC001147630802 791890684 /nfs/dbraw/zinc/89/06/84/791890684.db2.gz GNAOBRHLVJPAAM-UHFFFAOYSA-N 1 2 345.491 2.014 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1nnc(CC)n1C)C2 ZINC001147630802 791890687 /nfs/dbraw/zinc/89/06/87/791890687.db2.gz GNAOBRHLVJPAAM-UHFFFAOYSA-N 1 2 345.491 2.014 20 30 EEEDLO C#CCC1(C(=O)N2CC3(C2)CC[N@@H+](Cc2nccn2CC)C3)CCC1 ZINC001147710951 791919899 /nfs/dbraw/zinc/91/98/99/791919899.db2.gz CKWBCWGGKCCIPM-UHFFFAOYSA-N 1 2 340.471 2.131 20 30 EEEDLO C#CCC1(C(=O)N2CC3(C2)CC[N@H+](Cc2nccn2CC)C3)CCC1 ZINC001147710951 791919902 /nfs/dbraw/zinc/91/99/02/791919902.db2.gz CKWBCWGGKCCIPM-UHFFFAOYSA-N 1 2 340.471 2.131 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@@H](CNc2cc[nH+]c(C)n2)[C@H](OCC)C1 ZINC001091669741 792050950 /nfs/dbraw/zinc/05/09/50/792050950.db2.gz LICFCCONTTWAQG-HZPDHXFCSA-N 1 2 332.448 2.417 20 30 EEEDLO C#CCCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nccc(C)n1)C2 ZINC001148059591 792125920 /nfs/dbraw/zinc/12/59/20/792125920.db2.gz DXHRMQYHXNUQJV-UHFFFAOYSA-N 1 2 340.471 2.403 20 30 EEEDLO C#CCCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nccc(C)n1)C2 ZINC001148059591 792125923 /nfs/dbraw/zinc/12/59/23/792125923.db2.gz DXHRMQYHXNUQJV-UHFFFAOYSA-N 1 2 340.471 2.403 20 30 EEEDLO C#CCCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C)cn1)C2 ZINC001148059632 792126377 /nfs/dbraw/zinc/12/63/77/792126377.db2.gz GAKMBRGTCUUUEH-UHFFFAOYSA-N 1 2 340.471 2.403 20 30 EEEDLO C#CCCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C)cn1)C2 ZINC001148059632 792126384 /nfs/dbraw/zinc/12/63/84/792126384.db2.gz GAKMBRGTCUUUEH-UHFFFAOYSA-N 1 2 340.471 2.403 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccnc(OC)c1 ZINC001032605873 792143347 /nfs/dbraw/zinc/14/33/47/792143347.db2.gz JBEAKWWNHQUDMG-BXWFABGCSA-N 1 2 329.444 2.478 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccnc(OC)c1 ZINC001032605873 792143353 /nfs/dbraw/zinc/14/33/53/792143353.db2.gz JBEAKWWNHQUDMG-BXWFABGCSA-N 1 2 329.444 2.478 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@@H+](Cc1nccc(C)n1)C2 ZINC001148357261 792385680 /nfs/dbraw/zinc/38/56/80/792385680.db2.gz HFBYFXRWPNIRCQ-UHFFFAOYSA-N 1 2 328.460 2.422 20 30 EEEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](Cc1nccc(C)n1)C2 ZINC001148357261 792385686 /nfs/dbraw/zinc/38/56/86/792385686.db2.gz HFBYFXRWPNIRCQ-UHFFFAOYSA-N 1 2 328.460 2.422 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cc2n(n1)CCCC2 ZINC001089139757 792609558 /nfs/dbraw/zinc/60/95/58/792609558.db2.gz MFQWBZFAPANYLC-YJBOKZPZSA-N 1 2 343.475 2.192 20 30 EEEDLO C[C@@H](C#N)C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1cc2n(n1)CCCC2 ZINC001089139757 792609566 /nfs/dbraw/zinc/60/95/66/792609566.db2.gz MFQWBZFAPANYLC-YJBOKZPZSA-N 1 2 343.475 2.192 20 30 EEEDLO CC[C@@H]1[C@@H](NC(=O)CSCC#N)CCN1c1nc(C)[nH+]c(C)c1C ZINC001091759149 792764979 /nfs/dbraw/zinc/76/49/79/792764979.db2.gz BVFXQOYERYADSH-LSDHHAIUSA-N 1 2 347.488 2.132 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148900009 792771482 /nfs/dbraw/zinc/77/14/82/792771482.db2.gz OJSAEBPOHMNPLT-OAHLLOKOSA-N 1 2 347.459 2.423 20 30 EEEDLO C=CCO[C@H](C)C(=O)N1CC2(C1)CC[N@H+](Cc1ncc(C(C)C)o1)C2 ZINC001148900009 792771490 /nfs/dbraw/zinc/77/14/90/792771490.db2.gz OJSAEBPOHMNPLT-OAHLLOKOSA-N 1 2 347.459 2.423 20 30 EEEDLO Cc1nc(N[C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)ccc1C#N ZINC001098302329 793211374 /nfs/dbraw/zinc/21/13/74/793211374.db2.gz IZOJJDWGTRLJQF-CHWSQXEVSA-N 1 2 326.404 2.026 20 30 EEEDLO COCC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110123781 793268997 /nfs/dbraw/zinc/26/89/97/793268997.db2.gz QFJCTKXQSWYQRG-VLQPXKRTSA-N 1 2 341.455 2.452 20 30 EEEDLO COCC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110123781 793269012 /nfs/dbraw/zinc/26/90/12/793269012.db2.gz QFJCTKXQSWYQRG-VLQPXKRTSA-N 1 2 341.455 2.452 20 30 EEEDLO C=CCCOCC(=O)N[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)[C@@H]1C ZINC001091984203 793466497 /nfs/dbraw/zinc/46/64/97/793466497.db2.gz RCSVRLJWAIVBCT-ZBFHGGJFSA-N 1 2 332.448 2.078 20 30 EEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@@H]1C ZINC001092039709 793497619 /nfs/dbraw/zinc/49/76/19/793497619.db2.gz YMTYDDMBLBOQQK-IPYPFGDCSA-N 1 2 342.447 2.049 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000998975643 793639302 /nfs/dbraw/zinc/63/93/02/793639302.db2.gz XJRSSOKXNXVDIV-UHFFFAOYSA-N 1 2 338.411 2.025 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cscc1C)c1nccn12 ZINC001092356576 793830088 /nfs/dbraw/zinc/83/00/88/793830088.db2.gz IVJTWFZATLDRSG-AWEZNQCLSA-N 1 2 328.441 2.325 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)C1(C)CCCC1)c1nccn12 ZINC001092385574 793880887 /nfs/dbraw/zinc/88/08/87/793880887.db2.gz VRJQDNRFKKXGBU-HNNXBMFYSA-N 1 2 326.444 2.059 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@]13C[C@H]1CCCC3)c1nccn12 ZINC001092392884 793890875 /nfs/dbraw/zinc/89/08/75/793890875.db2.gz NKQOVYZDQAJFPC-GQIGUUNPSA-N 1 2 338.455 2.059 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)c1ccco1)c1nccn12 ZINC001092399674 793900242 /nfs/dbraw/zinc/90/02/42/793900242.db2.gz UQKAMBBSDWUAII-UONOGXRCSA-N 1 2 326.400 2.038 20 30 EEEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(F)ccc1F)c1nccn12 ZINC001092375949 793918963 /nfs/dbraw/zinc/91/89/63/793918963.db2.gz ZKJUKNILZRDMMK-HNNXBMFYSA-N 1 2 344.365 2.233 20 30 EEEDLO Cc1nc(N2CC[C@]3(C2)CCCCN(C(=O)[C@H](C)C#N)C3)cc[nH+]1 ZINC001065178963 794320552 /nfs/dbraw/zinc/32/05/52/794320552.db2.gz NFZYOXTYPVRCOI-KDOFPFPSSA-N 1 2 327.432 2.154 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C1CC1 ZINC001110009616 806371125 /nfs/dbraw/zinc/37/11/25/806371125.db2.gz NLQZXHFSKLHXLM-HNNXBMFYSA-N 1 2 325.416 2.393 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2ncc(CC)o2)C[C@H]1C ZINC001079850559 795320193 /nfs/dbraw/zinc/32/01/93/795320193.db2.gz NURRBHMPFVUGMU-GDBMZVCRSA-N 1 2 342.443 2.475 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2ncc(CC)o2)C[C@H]1C ZINC001079850559 795320199 /nfs/dbraw/zinc/32/01/99/795320199.db2.gz NURRBHMPFVUGMU-GDBMZVCRSA-N 1 2 342.443 2.475 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cnn(C4CCC4)c3)CC2)C1 ZINC001093537208 795333745 /nfs/dbraw/zinc/33/37/45/795333745.db2.gz JHCRFRBRCXWISP-UHFFFAOYSA-N 1 2 344.459 2.100 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)CC2)C1 ZINC001093537975 795338415 /nfs/dbraw/zinc/33/84/15/795338415.db2.gz SKQMRJIYCSCHLR-JTDSTZFVSA-N 1 2 330.472 2.467 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001107999840 795384513 /nfs/dbraw/zinc/38/45/13/795384513.db2.gz IQAFHTSMHROLSD-AOTQUWGHSA-N 1 2 332.488 2.452 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001107999840 795384522 /nfs/dbraw/zinc/38/45/22/795384522.db2.gz IQAFHTSMHROLSD-AOTQUWGHSA-N 1 2 332.488 2.452 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3cc(C)c(C)cn3)CC2)C1 ZINC001093555701 795410015 /nfs/dbraw/zinc/41/00/15/795410015.db2.gz DIRMDIDQNXLRCC-UHFFFAOYSA-N 1 2 329.444 2.190 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnc(-c3ccccc3)o2)C1 ZINC001108010328 795503926 /nfs/dbraw/zinc/50/39/26/795503926.db2.gz SEGBPBUOEWAFRH-IBGZPJMESA-N 1 2 341.411 2.348 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnc(-c3ccccc3)o2)C1 ZINC001108010328 795503931 /nfs/dbraw/zinc/50/39/31/795503931.db2.gz SEGBPBUOEWAFRH-IBGZPJMESA-N 1 2 341.411 2.348 20 30 EEEDLO C#CCOCCC(=O)N[C@H](C)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC001106441668 795595241 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/nfs/dbraw/zinc/07/21/06/799072106.db2.gz GPOCZWSXYAVJCE-UHFFFAOYSA-N 1 2 348.491 2.344 20 30 EEEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CCC(C)(F)F)c2C1 ZINC001128391627 799197402 /nfs/dbraw/zinc/19/74/02/799197402.db2.gz FEBYZLIWGYCRLI-UHFFFAOYSA-N 1 2 326.391 2.326 20 30 EEEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CCC(C)(F)F)c2C1 ZINC001128391627 799197404 /nfs/dbraw/zinc/19/74/04/799197404.db2.gz FEBYZLIWGYCRLI-UHFFFAOYSA-N 1 2 326.391 2.326 20 30 EEEDLO O=C(CCc1[nH]cc[nH+]1)N=C(NO)c1ccc(OC(F)(F)F)cc1 ZINC001177996995 799205879 /nfs/dbraw/zinc/20/58/79/799205879.db2.gz UCOODNXFFOBCCP-UHFFFAOYSA-N 1 2 342.277 2.193 20 30 EEEDLO N#CCc1nn(-c2ccccc2)c(NC(=O)CCc2[nH]cc[nH+]2)c1C#N ZINC001177992689 799226527 /nfs/dbraw/zinc/22/65/27/799226527.db2.gz BOLUFQDPLXNEDY-UHFFFAOYSA-N 1 2 345.366 2.104 20 30 EEEDLO C=C(C)CCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCCC)C2)CC1 ZINC001065688841 799360315 /nfs/dbraw/zinc/36/03/15/799360315.db2.gz PGQXQOBZDHMTAO-KRWDZBQOSA-N 1 2 335.492 2.278 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CCCCC)CC2)C1 ZINC001065690593 799363910 /nfs/dbraw/zinc/36/39/10/799363910.db2.gz CVTBXMBJGXTCOK-KRWDZBQOSA-N 1 2 335.492 2.278 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC3CCCC3)CC2)C1 ZINC001065692339 799367640 /nfs/dbraw/zinc/36/76/40/799367640.db2.gz QKZMTTMROPAENA-SFHVURJKSA-N 1 2 347.503 2.278 20 30 EEEDLO C=CCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C3(C)CC(=C)C3)CC2)C1 ZINC001065695681 799376149 /nfs/dbraw/zinc/37/61/49/799376149.db2.gz YWNWWSAUCNYJDQ-KRWDZBQOSA-N 1 2 345.487 2.054 20 30 EEEDLO C#CCCCCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CCC)CC2)C1 ZINC001065709655 799404854 /nfs/dbraw/zinc/40/48/54/799404854.db2.gz XYJDEEHMYMLDKU-GOSISDBHSA-N 1 2 347.503 2.115 20 30 EEEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)CC(=C)C)C2)CC1 ZINC001065711172 799407420 /nfs/dbraw/zinc/40/74/20/799407420.db2.gz IWUIFAYBCNUGPL-QZTJIDSGSA-N 1 2 347.503 2.300 20 30 EEEDLO C=CCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)/C(C)=C/CC)CC2)C1 ZINC001065711254 799407722 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800251215 /nfs/dbraw/zinc/25/12/15/800251215.db2.gz YPNTYJXZWFDWDW-KRWDZBQOSA-N 1 2 335.411 2.003 20 30 EEEDLO Cc1nnsc1C(=O)N(C)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001032901248 800315750 /nfs/dbraw/zinc/31/57/50/800315750.db2.gz ZGYMNJXWWCAGKX-MRXNPFEDSA-N 1 2 340.452 2.045 20 30 EEEDLO Cc1nnsc1C(=O)N(C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001032901248 800315756 /nfs/dbraw/zinc/31/57/56/800315756.db2.gz ZGYMNJXWWCAGKX-MRXNPFEDSA-N 1 2 340.452 2.045 20 30 EEEDLO C=CCC(CC=C)C(=O)NCC1(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC001110239857 800557937 /nfs/dbraw/zinc/55/79/37/800557937.db2.gz WRJMJLXQXPHQNT-UHFFFAOYSA-N 1 2 340.431 2.192 20 30 EEEDLO CCc1nc(C)c(C[N@@H+]2CC[C@@H]2CN(C)C(=O)c2cc(C#N)c[nH]2)o1 ZINC001085534101 800719539 /nfs/dbraw/zinc/71/95/39/800719539.db2.gz BLLIBONNBJDTPQ-CQSZACIVSA-N 1 2 341.415 2.092 20 30 EEEDLO CCc1nc(C)c(C[N@H+]2CC[C@@H]2CN(C)C(=O)c2cc(C#N)c[nH]2)o1 ZINC001085534101 800719544 /nfs/dbraw/zinc/71/95/44/800719544.db2.gz BLLIBONNBJDTPQ-CQSZACIVSA-N 1 2 341.415 2.092 20 30 EEEDLO CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)C(=O)c1ccn(C)c1 ZINC001085548708 800750124 /nfs/dbraw/zinc/75/01/24/800750124.db2.gz BIUXEMTUADVHJL-IBGZPJMESA-N 1 2 339.414 2.362 20 30 EEEDLO CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)C(=O)c1ccn(C)c1 ZINC001085548708 800750128 /nfs/dbraw/zinc/75/01/28/800750128.db2.gz BIUXEMTUADVHJL-IBGZPJMESA-N 1 2 339.414 2.362 20 30 EEEDLO CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)c1cn2c(n1)CCC2 ZINC001085603294 800877915 /nfs/dbraw/zinc/87/79/15/800877915.db2.gz ABVLKWKWXVOYNB-GOSISDBHSA-N 1 2 348.450 2.027 20 30 EEEDLO CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)c1cn2c(n1)CCC2 ZINC001085603294 800877922 /nfs/dbraw/zinc/87/79/22/800877922.db2.gz ABVLKWKWXVOYNB-GOSISDBHSA-N 1 2 348.450 2.027 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccoc1)C2 ZINC001110280061 801119053 /nfs/dbraw/zinc/11/90/53/801119053.db2.gz KAAQMIVPUQUOQP-ZACQAIPSSA-N 1 2 345.443 2.039 20 30 EEEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccoc1)C2 ZINC001110280061 801119056 /nfs/dbraw/zinc/11/90/56/801119056.db2.gz KAAQMIVPUQUOQP-ZACQAIPSSA-N 1 2 345.443 2.039 20 30 EEEDLO Cc1nc(C)c(C(=O)N(C)C[C@H]2CC[N@@H+]2CC#Cc2ccccc2)[nH]1 ZINC001085823982 801375250 /nfs/dbraw/zinc/37/52/50/801375250.db2.gz XCKAIBUEBXHODE-GOSISDBHSA-N 1 2 336.439 2.225 20 30 EEEDLO Cc1nc(C)c(C(=O)N(C)C[C@H]2CC[N@H+]2CC#Cc2ccccc2)[nH]1 ZINC001085823982 801375258 /nfs/dbraw/zinc/37/52/58/801375258.db2.gz XCKAIBUEBXHODE-GOSISDBHSA-N 1 2 336.439 2.225 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)noc1C(F)(F)F ZINC001085843364 801415535 /nfs/dbraw/zinc/41/55/35/801415535.db2.gz KEMNVGBSFUADQY-LLVKDONJSA-N 1 2 329.322 2.171 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)noc1C(F)(F)F ZINC001085843364 801415540 /nfs/dbraw/zinc/41/55/40/801415540.db2.gz KEMNVGBSFUADQY-LLVKDONJSA-N 1 2 329.322 2.171 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1conc1CC ZINC001085869128 801504676 /nfs/dbraw/zinc/50/46/76/801504676.db2.gz JAQGLCJZFIONFI-BQFCYCMXSA-N 1 2 347.459 2.251 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1conc1CC ZINC001085869128 801504679 /nfs/dbraw/zinc/50/46/79/801504679.db2.gz JAQGLCJZFIONFI-BQFCYCMXSA-N 1 2 347.459 2.251 20 30 EEEDLO CCc1nc[nH]c1C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001085950089 801740171 /nfs/dbraw/zinc/74/01/71/801740171.db2.gz WVDVUQIXXJKHOC-QGZVFWFLSA-N 1 2 336.439 2.170 20 30 EEEDLO CCc1nc[nH]c1C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001085950089 801740173 /nfs/dbraw/zinc/74/01/73/801740173.db2.gz WVDVUQIXXJKHOC-QGZVFWFLSA-N 1 2 336.439 2.170 20 30 EEEDLO CN(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N)C1(C)COC1 ZINC001183830854 801761257 /nfs/dbraw/zinc/76/12/57/801761257.db2.gz JMNODBMSNGMCLK-QGZVFWFLSA-N 1 2 327.428 2.160 20 30 EEEDLO CN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N)C1(C)COC1 ZINC001183830854 801761264 /nfs/dbraw/zinc/76/12/64/801761264.db2.gz JMNODBMSNGMCLK-QGZVFWFLSA-N 1 2 327.428 2.160 20 30 EEEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2snnc2C2CC2)CC1 ZINC001004466303 802140328 /nfs/dbraw/zinc/14/03/28/802140328.db2.gz ULYZWBVVTBRMEI-CQSZACIVSA-N 1 2 345.472 2.256 20 30 EEEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2snnc2C2CC2)CC1 ZINC001004466303 802140334 /nfs/dbraw/zinc/14/03/34/802140334.db2.gz ULYZWBVVTBRMEI-CQSZACIVSA-N 1 2 345.472 2.256 20 30 EEEDLO C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)[nH]n2)C1 ZINC001033126323 802235099 /nfs/dbraw/zinc/23/50/99/802235099.db2.gz GKCCOQLRJPOSJI-LLVKDONJSA-N 1 2 341.253 2.285 20 30 EEEDLO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)[nH]n2)C1 ZINC001033126323 802235103 /nfs/dbraw/zinc/23/51/03/802235103.db2.gz GKCCOQLRJPOSJI-LLVKDONJSA-N 1 2 341.253 2.285 20 30 EEEDLO CC#CCCCC(=O)N[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001066419970 802321941 /nfs/dbraw/zinc/32/19/41/802321941.db2.gz JKVMINKYQVTGIZ-MRXNPFEDSA-N 1 2 344.459 2.033 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cn(CC)nc2C(C)C)C1 ZINC001108248683 802357033 /nfs/dbraw/zinc/35/70/33/802357033.db2.gz OSTROJIXHOMORE-SFHVURJKSA-N 1 2 334.464 2.033 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cn(CC)nc2C(C)C)C1 ZINC001108248683 802357043 /nfs/dbraw/zinc/35/70/43/802357043.db2.gz OSTROJIXHOMORE-SFHVURJKSA-N 1 2 334.464 2.033 20 30 EEEDLO Cc1cc(C)c(C(=O)N2CCC[C@H](NC(=O)[C@H](C)C#N)CC2)c(C)[nH+]1 ZINC001066478112 802709543 /nfs/dbraw/zinc/70/95/43/802709543.db2.gz HAKDRKYHRJESOZ-CJNGLKHVSA-N 1 2 342.443 2.277 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2oc(CC(C)C)nc2C)C1 ZINC001108267596 802782230 /nfs/dbraw/zinc/78/22/30/802782230.db2.gz FNMDZKFAFAGZPC-SFHVURJKSA-N 1 2 335.448 2.188 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2oc(CC(C)C)nc2C)C1 ZINC001108267596 802782235 /nfs/dbraw/zinc/78/22/35/802782235.db2.gz FNMDZKFAFAGZPC-SFHVURJKSA-N 1 2 335.448 2.188 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001108267567 802782410 /nfs/dbraw/zinc/78/24/10/802782410.db2.gz DZUPACYCZPQDRN-FCEWJHQRSA-N 1 2 332.419 2.322 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001108267567 802782411 /nfs/dbraw/zinc/78/24/11/802782411.db2.gz DZUPACYCZPQDRN-FCEWJHQRSA-N 1 2 332.419 2.322 20 30 EEEDLO C=C(C)CCC(=O)N1C[C@H](C)OC2(CC[NH+](Cc3cnon3)CC2)C1 ZINC001111545640 803254898 /nfs/dbraw/zinc/25/48/98/803254898.db2.gz LTKFHBOIGQKDFZ-HNNXBMFYSA-N 1 2 348.447 2.008 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(C)nc2OCCC)C1 ZINC001108313341 803284322 /nfs/dbraw/zinc/28/43/22/803284322.db2.gz BSTBJXSVSAGZCT-LJQANCHMSA-N 1 2 347.459 2.186 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(C)nc2OCCC)C1 ZINC001108313341 803284329 /nfs/dbraw/zinc/28/43/29/803284329.db2.gz BSTBJXSVSAGZCT-LJQANCHMSA-N 1 2 347.459 2.186 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)Oc2cccc(C)c2)C1 ZINC001108384727 803428613 /nfs/dbraw/zinc/42/86/13/803428613.db2.gz ZKACJFNEOMMJLA-QFBILLFUSA-N 1 2 332.444 2.155 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)Oc2cccc(C)c2)C1 ZINC001108384727 803428617 /nfs/dbraw/zinc/42/86/17/803428617.db2.gz ZKACJFNEOMMJLA-QFBILLFUSA-N 1 2 332.444 2.155 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C)Cc2ccccc2C)C1 ZINC001108430963 803547654 /nfs/dbraw/zinc/54/76/54/803547654.db2.gz RSAXFULCBVQPNL-WIYYLYMNSA-N 1 2 342.483 2.404 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C)Cc2ccccc2C)C1 ZINC001108430963 803547656 /nfs/dbraw/zinc/54/76/56/803547656.db2.gz RSAXFULCBVQPNL-WIYYLYMNSA-N 1 2 342.483 2.404 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(c3ccccc3C)CC2)C1 ZINC001108439520 803579328 /nfs/dbraw/zinc/57/93/28/803579328.db2.gz MMEJCTQHAHMMPF-IBGZPJMESA-N 1 2 328.456 2.420 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(c3ccccc3C)CC2)C1 ZINC001108439520 803579331 /nfs/dbraw/zinc/57/93/31/803579331.db2.gz MMEJCTQHAHMMPF-IBGZPJMESA-N 1 2 328.456 2.420 20 30 EEEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnc(CC(C)C)s2)C1 ZINC001108436300 803584516 /nfs/dbraw/zinc/58/45/16/803584516.db2.gz LQWLDUYZWXSPBW-KRWDZBQOSA-N 1 2 337.489 2.348 20 30 EEEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnc(CC(C)C)s2)C1 ZINC001108436300 803584520 /nfs/dbraw/zinc/58/45/20/803584520.db2.gz LQWLDUYZWXSPBW-KRWDZBQOSA-N 1 2 337.489 2.348 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]c3ccc(F)cc32)C1 ZINC001108443110 803593980 /nfs/dbraw/zinc/59/39/80/803593980.db2.gz IDNWXBPSOSEONI-IBGZPJMESA-N 1 2 343.402 2.151 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c[nH]c3ccc(F)cc32)C1 ZINC001108443110 803593983 /nfs/dbraw/zinc/59/39/83/803593983.db2.gz IDNWXBPSOSEONI-IBGZPJMESA-N 1 2 343.402 2.151 20 30 EEEDLO C[N@@H+]1CCOC[C@H]1CNc1ncc(C#N)c2oc(C(C)(C)C)nc21 ZINC001169654131 803928628 /nfs/dbraw/zinc/92/86/28/803928628.db2.gz VYEUZRNWRMKMEL-GFCCVEGCSA-N 1 2 329.404 2.134 20 30 EEEDLO C[N@H+]1CCOC[C@H]1CNc1ncc(C#N)c2oc(C(C)(C)C)nc21 ZINC001169654131 803928633 /nfs/dbraw/zinc/92/86/33/803928633.db2.gz VYEUZRNWRMKMEL-GFCCVEGCSA-N 1 2 329.404 2.134 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001108547111 804050527 /nfs/dbraw/zinc/05/05/27/804050527.db2.gz SZDIGCCHVRVKFQ-LBPRGKRZSA-N 1 2 328.420 2.048 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C[C@@H](CC)CCCC)CC2=O)C1 ZINC001108558114 804071071 /nfs/dbraw/zinc/07/10/71/804071071.db2.gz AFXLYUZAQXRAKT-HOTGVXAUSA-N 1 2 335.492 2.180 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C[C@H](C)CC(C)(C)C)CC2=O)C1 ZINC001108575587 804152032 /nfs/dbraw/zinc/15/20/32/804152032.db2.gz DSOKGAABUXMQFG-GJZGRUSLSA-N 1 2 335.492 2.036 20 30 EEEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C(CC(C)C)CC(C)C)CC2=O)C1 ZINC001108591987 804263442 /nfs/dbraw/zinc/26/34/42/804263442.db2.gz KBZSUHQNTGGDPN-QGZVFWFLSA-N 1 2 349.519 2.282 20 30 EEEDLO C[C@@H](CNc1ncc(C#N)cc1Cl)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001108721617 804423945 /nfs/dbraw/zinc/42/39/45/804423945.db2.gz PNIOWPQMCGFWOZ-RYUDHWBXSA-N 1 2 346.822 2.371 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(C)=O)C2 ZINC001108842014 804590036 /nfs/dbraw/zinc/59/00/36/804590036.db2.gz VBIWCXZLMLXYOT-PVAVHDDUSA-N 1 2 347.484 2.004 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(C)=O)C2 ZINC001108842014 804590043 /nfs/dbraw/zinc/59/00/43/804590043.db2.gz VBIWCXZLMLXYOT-PVAVHDDUSA-N 1 2 347.484 2.004 20 30 EEEDLO C=CCCO[C@@H](C)C(=O)N[C@H](C)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001108855141 804599952 /nfs/dbraw/zinc/59/99/52/804599952.db2.gz PRUSDABCFDMJQO-DOMZBBRYSA-N 1 2 334.464 2.324 20 30 EEEDLO C=CCCC(=O)N[C@H](C)CN(C)c1[nH+]c(C)nc(-n2cccn2)c1C ZINC001108859569 804607030 /nfs/dbraw/zinc/60/70/30/804607030.db2.gz NLKAYOFAWGFJQO-CYBMUJFWSA-N 1 2 342.447 2.186 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccnc(Cl)c1 ZINC001109212916 805128422 /nfs/dbraw/zinc/12/84/22/805128422.db2.gz JJDWNVBVRVJAID-LLDVTBCESA-N 1 2 349.862 2.284 20 30 EEEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccnc(Cl)c1 ZINC001109212916 805128427 /nfs/dbraw/zinc/12/84/27/805128427.db2.gz JJDWNVBVRVJAID-LLDVTBCESA-N 1 2 349.862 2.284 20 30 EEEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C2CC2)no1 ZINC001109258076 805202685 /nfs/dbraw/zinc/20/26/85/805202685.db2.gz ZTUQMUHCLXHJNE-JLSDUUJJSA-N 1 2 325.412 2.187 20 30 EEEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C2CC2)no1 ZINC001109258076 805202690 /nfs/dbraw/zinc/20/26/90/805202690.db2.gz ZTUQMUHCLXHJNE-JLSDUUJJSA-N 1 2 325.412 2.187 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(F)c1F ZINC001109266874 805213222 /nfs/dbraw/zinc/21/32/22/805213222.db2.gz IBOUUFYJRFGYSQ-IRWJRLHMSA-N 1 2 348.393 2.225 20 30 EEEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(F)c1F ZINC001109266874 805213229 /nfs/dbraw/zinc/21/32/29/805213229.db2.gz IBOUUFYJRFGYSQ-IRWJRLHMSA-N 1 2 348.393 2.225 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cn1ccc(C)n1)C2 ZINC001109338262 805320583 /nfs/dbraw/zinc/32/05/83/805320583.db2.gz LXUBGLVJXHYBMC-MWNCTCPHSA-N 1 2 336.867 2.302 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cn1ccc(C)n1)C2 ZINC001109338262 805320592 /nfs/dbraw/zinc/32/05/92/805320592.db2.gz LXUBGLVJXHYBMC-MWNCTCPHSA-N 1 2 336.867 2.302 20 30 EEEDLO C=CCCC(=O)N[C@H]1CCCC[C@H]1CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001109342139 805326354 /nfs/dbraw/zinc/32/63/54/805326354.db2.gz PGNOWWOGSAMHRE-GJZGRUSLSA-N 1 2 346.479 2.299 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC001112801637 807297015 /nfs/dbraw/zinc/29/70/15/807297015.db2.gz ZJEMCYWCEAWSPU-HXUWFJFHSA-N 1 2 346.471 2.445 20 30 EEEDLO COCC1(CC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC001112835679 807377608 /nfs/dbraw/zinc/37/76/08/807377608.db2.gz JNNYALNSQSZKFR-UHFFFAOYSA-N 1 2 327.428 2.019 20 30 EEEDLO C[C@@H](Nc1cccc(F)c1C#N)[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001112993275 807791163 /nfs/dbraw/zinc/79/11/63/807791163.db2.gz GERXXLIFYJMYIW-NEPJUHHUSA-N 1 2 329.379 2.358 20 30 EEEDLO O=c1[nH]ccc2cc(N[NH+]=Cc3cnc(N4CCCC4)nc3)ccc21 ZINC000789059585 807822657 /nfs/dbraw/zinc/82/26/57/807822657.db2.gz FAWWYPVVVKPDPW-UHFFFAOYSA-N 1 2 334.383 2.364 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnn(C(C)C)c2Cl)CC1 ZINC001113159161 808297459 /nfs/dbraw/zinc/29/74/59/808297459.db2.gz ZNZNDKLUGNTYFZ-UHFFFAOYSA-N 1 2 340.855 2.078 20 30 EEEDLO C#CCOCCC(=O)N[C@@H](C)[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001113164994 808321166 /nfs/dbraw/zinc/32/11/66/808321166.db2.gz CTCBEDZSQLSNOY-UONOGXRCSA-N 1 2 344.459 2.009 20 30 EEEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](CCOC[C@H]2CCCCO2)CC1 ZINC001113244425 808552713 /nfs/dbraw/zinc/55/27/13/808552713.db2.gz ZOYZSDQCJURMKY-QZTJIDSGSA-N 1 2 338.492 2.319 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2c(F)ccc(F)c2F)CC1 ZINC001113271418 808588474 /nfs/dbraw/zinc/58/84/74/808588474.db2.gz POLTWBOWPWUZNU-UHFFFAOYSA-N 1 2 328.334 2.064 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)c2cnn(C(C)C)c2C2CC2)CC1 ZINC001113516911 809118133 /nfs/dbraw/zinc/11/81/33/809118133.db2.gz CCVLQAIRPYOWLF-UHFFFAOYSA-N 1 2 346.475 2.302 20 30 EEEDLO C=CCO[C@@H](C)C(=O)N1CC[NH+](C[C@H](OC)c2ccccc2)CC1 ZINC001113713444 809618859 /nfs/dbraw/zinc/61/88/59/809618859.db2.gz QDSYEHHOEWRDOL-WMZOPIPTSA-N 1 2 332.444 2.109 20 30 EEEDLO C=CCOCC[NH+]1CCN(C(=O)C(C)(C)c2ccccc2OC)CC1 ZINC001113733332 809666443 /nfs/dbraw/zinc/66/64/43/809666443.db2.gz ZLISVAJHLGJVPA-UHFFFAOYSA-N 1 2 346.471 2.320 20 30 EEEDLO C#CCCC[N@@H+]1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000792359832 809715648 /nfs/dbraw/zinc/71/56/48/809715648.db2.gz LZKHFVMLOGWMHL-CQSZACIVSA-N 1 2 326.318 2.472 20 30 EEEDLO C#CCCC[N@H+]1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000792359832 809715652 /nfs/dbraw/zinc/71/56/52/809715652.db2.gz LZKHFVMLOGWMHL-CQSZACIVSA-N 1 2 326.318 2.472 20 30 EEEDLO CSC[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114040777 810251099 /nfs/dbraw/zinc/25/10/99/810251099.db2.gz BHDJCNOWNNXMDH-JKEMJCCQSA-N 1 2 347.459 2.243 20 30 EEEDLO CSC[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114040777 810251105 /nfs/dbraw/zinc/25/11/05/810251105.db2.gz BHDJCNOWNNXMDH-JKEMJCCQSA-N 1 2 347.459 2.243 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nc(C(C)C)no3)C[C@H]21 ZINC001114165783 810513936 /nfs/dbraw/zinc/51/39/36/810513936.db2.gz JZFSCPHYAWHKNV-LJIGWXMPSA-N 1 2 344.459 2.494 20 30 EEEDLO C#CCCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nc(C(C)C)no3)C[C@H]21 ZINC001114165783 810513941 /nfs/dbraw/zinc/51/39/41/810513941.db2.gz JZFSCPHYAWHKNV-LJIGWXMPSA-N 1 2 344.459 2.494 20 30 EEEDLO CCCC[C@H](CNc1ncccc1C#N)NC(=O)Cc1c[nH+]cn1C ZINC001114267814 810741712 /nfs/dbraw/zinc/74/17/12/810741712.db2.gz YILTWHOJEWJTMG-OAHLLOKOSA-N 1 2 340.431 2.016 20 30 EEEDLO CCCC[C@@H](CNc1ncccc1C#N)NC(=O)Cc1c[nH+]cn1C ZINC001114267813 810742156 /nfs/dbraw/zinc/74/21/56/810742156.db2.gz YILTWHOJEWJTMG-HNNXBMFYSA-N 1 2 340.431 2.016 20 30 EEEDLO C=CCOc1ccc(C(=O)NCC[NH2+]Cc2nnc(C(C)C)o2)cc1 ZINC001130371476 811520994 /nfs/dbraw/zinc/52/09/94/811520994.db2.gz VWBKCEAZTOEBOE-UHFFFAOYSA-N 1 2 344.415 2.277 20 30 EEEDLO CCC[C@](C)(CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131103719 812395619 /nfs/dbraw/zinc/39/56/19/812395619.db2.gz ZOLQYJWFDMOSOP-RKVPGOIHSA-N 1 2 331.464 2.044 20 30 EEEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@H](CC)CCCC)CC1 ZINC001131369487 812729500 /nfs/dbraw/zinc/72/95/00/812729500.db2.gz JPBFAELWUCMOFR-KRWDZBQOSA-N 1 2 337.508 2.429 20 30 EEEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C[C@@H](CC)CCCC)CC1 ZINC001131369487 812729508 /nfs/dbraw/zinc/72/95/08/812729508.db2.gz JPBFAELWUCMOFR-KRWDZBQOSA-N 1 2 337.508 2.429 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CCOC(C)C)C[C@H](C)O2 ZINC001131629365 813045533 /nfs/dbraw/zinc/04/55/33/813045533.db2.gz PWWGWKZRZHBDOI-DOTOQJQBSA-N 1 2 344.883 2.246 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCOC(C)C)C[C@H](C)O2 ZINC001131629365 813045542 /nfs/dbraw/zinc/04/55/42/813045542.db2.gz PWWGWKZRZHBDOI-DOTOQJQBSA-N 1 2 344.883 2.246 20 30 EEEDLO C=C(Cl)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C(C)(C)CC)n1 ZINC001436430140 1087797848 /nfs/dbraw/zinc/79/78/48/1087797848.db2.gz FWQZQBYTMIKJAV-UHFFFAOYSA-N 1 2 326.828 2.077 20 30 EEEDLO C[C@H](C#N)C(=O)NCC[N@H+](Cc1csnn1)C1CCCCCC1 ZINC001439690871 1092637339 /nfs/dbraw/zinc/63/73/39/1092637339.db2.gz NMULKSZYRGANJH-CYBMUJFWSA-N 1 2 335.477 2.339 20 30 EEEDLO C[C@H](C#N)C(=O)NCC[N@@H+](Cc1csnn1)C1CCCCCC1 ZINC001439690871 1092637341 /nfs/dbraw/zinc/63/73/41/1092637341.db2.gz NMULKSZYRGANJH-CYBMUJFWSA-N 1 2 335.477 2.339 20 30 EEEDLO C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccn(C)c1 ZINC001440718461 1093960516 /nfs/dbraw/zinc/96/05/16/1093960516.db2.gz GNYSUMSLHOTGIR-AWEZNQCLSA-N 1 2 340.265 2.470 20 30 EEEDLO C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccn(C)c1 ZINC001440718461 1093960512 /nfs/dbraw/zinc/96/05/12/1093960512.db2.gz GNYSUMSLHOTGIR-AWEZNQCLSA-N 1 2 340.265 2.470 20 30 EEEDLO C[N@H+](CCNC(=O)COc1ccccc1F)Cc1ccccc1C#N ZINC001442604573 1096976878 /nfs/dbraw/zinc/97/68/78/1096976878.db2.gz CRJZNSIIJGDJQU-UHFFFAOYSA-N 1 2 341.386 2.324 20 30 EEEDLO C[N@@H+](CCNC(=O)COc1ccccc1F)Cc1ccccc1C#N ZINC001442604573 1096976881 /nfs/dbraw/zinc/97/68/81/1096976881.db2.gz CRJZNSIIJGDJQU-UHFFFAOYSA-N 1 2 341.386 2.324 20 30 EEEDLO CC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1ccn(-c2ccccc2F)n1 ZINC001442645263 1097012988 /nfs/dbraw/zinc/01/29/88/1097012988.db2.gz APBZEOKRVQGQKQ-CQSZACIVSA-N 1 2 343.406 2.109 20 30 EEEDLO CC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1ccn(-c2ccccc2F)n1 ZINC001442645263 1097012993 /nfs/dbraw/zinc/01/29/93/1097012993.db2.gz APBZEOKRVQGQKQ-CQSZACIVSA-N 1 2 343.406 2.109 20 30 EEEDLO N#Cc1ccc(F)c(C[N@H+](CCNC(=O)C[C@@H]2CCOC2)C2CC2)c1 ZINC001442992646 1097411034 /nfs/dbraw/zinc/41/10/34/1097411034.db2.gz GYPXKKMDTRNCPP-HNNXBMFYSA-N 1 2 345.418 2.205 20 30 EEEDLO N#Cc1ccc(F)c(C[N@@H+](CCNC(=O)C[C@@H]2CCOC2)C2CC2)c1 ZINC001442992646 1097411038 /nfs/dbraw/zinc/41/10/38/1097411038.db2.gz GYPXKKMDTRNCPP-HNNXBMFYSA-N 1 2 345.418 2.205 20 30 EEEDLO Cc1noc([C@H](C)[NH2+]C[C@@H](CC(C)C)NC(=O)c2cc(C#N)c[nH]2)n1 ZINC001496261816 1100832255 /nfs/dbraw/zinc/83/22/55/1100832255.db2.gz GZNYCDJIGGJVGO-SMDDNHRTSA-N 1 2 344.419 2.073 20 30 EEEDLO C[C@@H](C#N)C(=O)NCC1(O)C[NH+](Cc2ccc(C3CCCC3)cc2)C1 ZINC001446832976 1101496673 /nfs/dbraw/zinc/49/66/73/1101496673.db2.gz SHKARAFLAVTNNX-HNNXBMFYSA-N 1 2 341.455 2.167 20 30 EEEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1ccn(CC)n1 ZINC001493316507 1107920451 /nfs/dbraw/zinc/92/04/51/1107920451.db2.gz MGSPHUXJGKRJOY-UHFFFAOYSA-N 1 2 343.269 2.253 20 30 EEEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1ccn(CC)n1 ZINC001493316507 1107920462 /nfs/dbraw/zinc/92/04/62/1107920462.db2.gz MGSPHUXJGKRJOY-UHFFFAOYSA-N 1 2 343.269 2.253 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@@H]1C ZINC001507381357 1115240614 /nfs/dbraw/zinc/24/06/14/1115240614.db2.gz BCCSFEGVUILKKC-UONOGXRCSA-N 1 2 343.899 2.260 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@@H]1C ZINC001507381357 1115240617 /nfs/dbraw/zinc/24/06/17/1115240617.db2.gz BCCSFEGVUILKKC-UONOGXRCSA-N 1 2 343.899 2.260 20 30 EEEDLO Cn1cc[nH+]c1CCC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC001548642357 1124408010 /nfs/dbraw/zinc/40/80/10/1124408010.db2.gz XOTDKOLSUVWEBH-UHFFFAOYSA-N 1 2 338.411 2.294 20 30 EEEDLO C[NH+](C)[C@@H](CNC(=O)C1(C#N)CCOCC1)c1c(F)cccc1F ZINC000115414110 282169767 /nfs/dbraw/zinc/16/97/67/282169767.db2.gz DZHADXIXOHPBAS-AWEZNQCLSA-N 1 2 337.370 2.004 20 30 EEEDLO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)C[C@H](C#N)CCC#N ZINC000112560033 529895781 /nfs/dbraw/zinc/89/57/81/529895781.db2.gz WTUHGESTJUCZPI-HNNXBMFYSA-N 1 2 349.456 2.234 20 30 EEEDLO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)C[C@H](C#N)CCC#N ZINC000112560033 529895782 /nfs/dbraw/zinc/89/57/82/529895782.db2.gz WTUHGESTJUCZPI-HNNXBMFYSA-N 1 2 349.456 2.234 20 30 EEEDLO C[NH+](C)[C@H](CNC(=O)C1(C#N)CCOCC1)c1c(F)cccc1F ZINC000115414114 237185194 /nfs/dbraw/zinc/18/51/94/237185194.db2.gz DZHADXIXOHPBAS-CQSZACIVSA-N 1 2 337.370 2.004 20 30 EEEDLO C[C@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1cccc(F)c1 ZINC000116185112 237186859 /nfs/dbraw/zinc/18/68/59/237186859.db2.gz AIAKALVJUOGOEX-MRXNPFEDSA-N 1 2 347.434 2.394 20 30 EEEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccc(C)cc3)n(C)c2=S)CC1 ZINC000029436517 212666558 /nfs/dbraw/zinc/66/65/58/212666558.db2.gz HKOJHAVLEJDGQQ-UHFFFAOYSA-N 1 2 341.484 2.135 20 30 EEEDLO C=CC[NH+](CC=C)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1 ZINC000072590776 216278546 /nfs/dbraw/zinc/27/85/46/216278546.db2.gz LILVVVYLPUNEMR-UHFFFAOYSA-N 1 2 333.413 2.254 20 30 EEEDLO N#CC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC1 ZINC000416354311 239200350 /nfs/dbraw/zinc/20/03/50/239200350.db2.gz OGEBQRBLSHOUFD-UHFFFAOYSA-N 1 2 325.328 2.204 20 30 EEEDLO C=C(C)C[NH+]1CC([C@@H](C)NC(=O)c2c(C)n[nH]c2C(F)(F)F)C1 ZINC000970168267 675652903 /nfs/dbraw/zinc/65/29/03/675652903.db2.gz YYAJLTOHWAGHHW-SECBINFHSA-N 1 2 330.354 2.363 20 30 EEEDLO COc1ccc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)nc1 ZINC000452059750 243340923 /nfs/dbraw/zinc/34/09/23/243340923.db2.gz PEUMWGZDCWBJRC-UHFFFAOYSA-N 1 2 326.375 2.423 20 30 EEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cccc(CC#N)c1 ZINC000455900597 244104606 /nfs/dbraw/zinc/10/46/06/244104606.db2.gz CHFAPZPMHNIBMX-RHSMWYFYSA-N 1 2 328.416 2.080 20 30 EEEDLO Cn1c[nH+]cc1CCN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000459435749 245119183 /nfs/dbraw/zinc/11/91/83/245119183.db2.gz IZEPVSCSYGYPGH-GOSISDBHSA-N 1 2 343.862 2.498 20 30 EEEDLO CN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1C#N ZINC000268741399 252192500 /nfs/dbraw/zinc/19/25/00/252192500.db2.gz QAIXDSBCUGKGOB-LJQANCHMSA-N 1 2 335.407 2.422 20 30 EEEDLO CN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1C#N ZINC000268741399 252192502 /nfs/dbraw/zinc/19/25/02/252192502.db2.gz QAIXDSBCUGKGOB-LJQANCHMSA-N 1 2 335.407 2.422 20 30 EEEDLO C#C[C@@H](CCC)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000491568246 533243612 /nfs/dbraw/zinc/24/36/12/533243612.db2.gz PQVQWKDVLHQREB-ZWKOTPCHSA-N 1 2 329.444 2.161 20 30 EEEDLO C#C[C@H](C)[N@@H+](C)Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000491777749 533286223 /nfs/dbraw/zinc/28/62/23/533286223.db2.gz HSEJUHCSIVBYFW-NSHDSACASA-N 1 2 331.372 2.216 20 30 EEEDLO C#C[C@H](C)[N@H+](C)Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000491777749 533286228 /nfs/dbraw/zinc/28/62/28/533286228.db2.gz HSEJUHCSIVBYFW-NSHDSACASA-N 1 2 331.372 2.216 20 30 EEEDLO C#C[C@H](NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000491655662 533330634 /nfs/dbraw/zinc/33/06/34/533330634.db2.gz CDUIGTIDGZNJAB-KEYYUXOJSA-N 1 2 349.862 2.423 20 30 EEEDLO COc1ccc(C[N@@H+]2CCNC(=O)C2(C)C)cc1OCCCC#N ZINC000093084888 533562855 /nfs/dbraw/zinc/56/28/55/533562855.db2.gz HFJUCGGUDDFKIV-UHFFFAOYSA-N 1 2 331.416 2.088 20 30 EEEDLO COc1ccc(C[N@H+]2CCNC(=O)C2(C)C)cc1OCCCC#N ZINC000093084888 533562860 /nfs/dbraw/zinc/56/28/60/533562860.db2.gz HFJUCGGUDDFKIV-UHFFFAOYSA-N 1 2 331.416 2.088 20 30 EEEDLO C=C(C)[C@@H](CC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)OCC ZINC000270024665 135629259 /nfs/dbraw/zinc/62/92/59/135629259.db2.gz JZKQPSGZHAPBEB-DOTOQJQBSA-N 1 2 347.459 2.294 20 30 EEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000343928262 161181317 /nfs/dbraw/zinc/18/13/17/161181317.db2.gz NTUJIQINAHGCHX-SFHVURJKSA-N 1 2 335.407 2.110 20 30 EEEDLO COc1cc(C#N)ccc1C[N@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000343928262 161181318 /nfs/dbraw/zinc/18/13/18/161181318.db2.gz NTUJIQINAHGCHX-SFHVURJKSA-N 1 2 335.407 2.110 20 30 EEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000343928257 161181585 /nfs/dbraw/zinc/18/15/85/161181585.db2.gz NTUJIQINAHGCHX-GOSISDBHSA-N 1 2 335.407 2.110 20 30 EEEDLO COc1cc(C#N)ccc1C[N@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000343928257 161181586 /nfs/dbraw/zinc/18/15/86/161181586.db2.gz NTUJIQINAHGCHX-GOSISDBHSA-N 1 2 335.407 2.110 20 30 EEEDLO C[C@H](C(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1)c1cccc(C#N)c1 ZINC000360720754 164369337 /nfs/dbraw/zinc/36/93/37/164369337.db2.gz ZSKIFQLBBIKWTF-QANKJYHBSA-N 1 2 338.411 2.432 20 30 EEEDLO C[C@@H]1C[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](C)S1=O ZINC000361653934 164480857 /nfs/dbraw/zinc/48/08/57/164480857.db2.gz JTAYNFJYEDBHGH-ZIAGYGMSSA-N 1 2 342.468 2.300 20 30 EEEDLO COc1ccc([C@@H](NC(=O)c2cc(C#N)cn2C)c2[nH+]ccn2C)cc1 ZINC000080975415 264003383 /nfs/dbraw/zinc/00/33/83/264003383.db2.gz SJUDCQZQPYSJQB-QGZVFWFLSA-N 1 2 349.394 2.158 20 30 EEEDLO CCCc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000294361924 266085042 /nfs/dbraw/zinc/08/50/42/266085042.db2.gz MQXWOEVAFTYEMB-UHFFFAOYSA-N 1 2 338.411 2.457 20 30 EEEDLO CCOC[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000313444837 266282414 /nfs/dbraw/zinc/28/24/14/266282414.db2.gz OXWWENIHPKFOMU-INIZCTEOSA-N 1 2 336.457 2.223 20 30 EEEDLO CCOC[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000313444837 266282417 /nfs/dbraw/zinc/28/24/17/266282417.db2.gz OXWWENIHPKFOMU-INIZCTEOSA-N 1 2 336.457 2.223 20 30 EEEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCn2cc[nH+]c2C1 ZINC000332642343 267136940 /nfs/dbraw/zinc/13/69/40/267136940.db2.gz YTPLCMFQBNCGHN-LLVKDONJSA-N 1 2 329.791 2.251 20 30 EEEDLO C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@H]1c1ccccc1 ZINC000290354823 267230997 /nfs/dbraw/zinc/23/09/97/267230997.db2.gz QJPWDXFOJGXWLA-KBXCAEBGSA-N 1 2 341.436 2.420 20 30 EEEDLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@H]1c1ccccc1 ZINC000290354823 267231001 /nfs/dbraw/zinc/23/10/01/267231001.db2.gz QJPWDXFOJGXWLA-KBXCAEBGSA-N 1 2 341.436 2.420 20 30 EEEDLO N#Cc1ccc(N2CC[NH+](CCOc3ccccc3Cl)CC2)nn1 ZINC000301833419 268116567 /nfs/dbraw/zinc/11/65/67/268116567.db2.gz JPEDZKDEORDGPA-UHFFFAOYSA-N 1 2 343.818 2.203 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)cc1 ZINC000515363664 268221234 /nfs/dbraw/zinc/22/12/34/268221234.db2.gz KTDKZYOYILWBFN-UHFFFAOYSA-N 1 2 347.418 2.451 20 30 EEEDLO N#Cc1ccc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)s1 ZINC000420770676 268229713 /nfs/dbraw/zinc/22/97/13/268229713.db2.gz ZMRXGSDWBRNBLO-UHFFFAOYSA-N 1 2 329.429 2.194 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000287842743 268266173 /nfs/dbraw/zinc/26/61/73/268266173.db2.gz QSRVGQBWPUFJFH-SFHVURJKSA-N 1 2 336.395 2.183 20 30 EEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000287842743 268266175 /nfs/dbraw/zinc/26/61/75/268266175.db2.gz QSRVGQBWPUFJFH-SFHVURJKSA-N 1 2 336.395 2.183 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NOC3CCCC3)CC2)cc1 ZINC000271684287 274150677 /nfs/dbraw/zinc/15/06/77/274150677.db2.gz PLVOKSXMIPBWOM-UHFFFAOYSA-N 1 2 328.416 2.260 20 30 EEEDLO CC(=O)Nc1ccccc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000564150529 319069126 /nfs/dbraw/zinc/06/91/26/319069126.db2.gz VNLLSELIMKLEEZ-UHFFFAOYSA-N 1 2 335.411 2.234 20 30 EEEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000565182272 319158119 /nfs/dbraw/zinc/15/81/19/319158119.db2.gz PRDDQIOYFTTWJJ-HNNXBMFYSA-N 1 2 337.427 2.199 20 30 EEEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000565182272 319158121 /nfs/dbraw/zinc/15/81/21/319158121.db2.gz PRDDQIOYFTTWJJ-HNNXBMFYSA-N 1 2 337.427 2.199 20 30 EEEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCc1ccc(C#N)c(F)c1)C1CC1 ZINC000565464272 319184662 /nfs/dbraw/zinc/18/46/62/319184662.db2.gz RFSCUQGWJAAPGH-OAHLLOKOSA-N 1 2 327.363 2.381 20 30 EEEDLO N#Cc1cc(Br)ccc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000577033521 320225132 /nfs/dbraw/zinc/22/51/32/320225132.db2.gz BNDMICIDDUJHAR-GFCCVEGCSA-N 1 2 345.200 2.262 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000334096689 465038646 /nfs/dbraw/zinc/03/86/46/465038646.db2.gz SKHSRYMXGJCVTR-CJNGLKHVSA-N 1 2 332.448 2.345 20 30 EEEDLO C#CCO[C@H](C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000295977639 465040189 /nfs/dbraw/zinc/04/01/89/465040189.db2.gz QUVQXOUMOHIJRD-ZBFHGGJFSA-N 1 2 327.384 2.354 20 30 EEEDLO C#CCO[C@H](C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000295977639 465040195 /nfs/dbraw/zinc/04/01/95/465040195.db2.gz QUVQXOUMOHIJRD-ZBFHGGJFSA-N 1 2 327.384 2.354 20 30 EEEDLO Cc1ccc(N2CCC[C@H](NC(=O)CCc3c[nH+]cn3C)C2)nn1 ZINC000328586511 465062767 /nfs/dbraw/zinc/06/27/67/465062767.db2.gz XCNSHZMXWRJIKL-AWEZNQCLSA-N 1 2 328.420 2.077 20 30 EEEDLO CC(C)(C(=O)NCC[N@@H+]1CCCC(C)(C)C1)S(=O)(=O)C1CC1 ZINC000328905444 465163066 /nfs/dbraw/zinc/16/30/66/465163066.db2.gz JZOFXQGKSPFIQJ-UHFFFAOYSA-N 1 2 330.494 2.421 20 30 EEEDLO CC(C)(C(=O)NCC[N@H+]1CCCC(C)(C)C1)S(=O)(=O)C1CC1 ZINC000328905444 465163069 /nfs/dbraw/zinc/16/30/69/465163069.db2.gz JZOFXQGKSPFIQJ-UHFFFAOYSA-N 1 2 330.494 2.421 20 30 EEEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)CC(C)(C)CC#N ZINC000296362432 465170660 /nfs/dbraw/zinc/17/06/60/465170660.db2.gz SDXRMIXKAIDUMU-UHFFFAOYSA-N 1 2 340.493 2.427 20 30 EEEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3COCCN3C)n2)C1 ZINC000329000313 465198476 /nfs/dbraw/zinc/19/84/76/465198476.db2.gz VPGYPWMDFATGKU-JSGCOSHPSA-N 1 2 338.477 2.294 20 30 EEEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3COCCN3C)n2)C1 ZINC000329000313 465198480 /nfs/dbraw/zinc/19/84/80/465198480.db2.gz VPGYPWMDFATGKU-JSGCOSHPSA-N 1 2 338.477 2.294 20 30 EEEDLO C#CCOc1ccc(CNC(=O)NCc2ccc(N(C)C)[nH+]c2)cc1 ZINC000296665078 465229182 /nfs/dbraw/zinc/22/91/82/465229182.db2.gz VJKGSAQKCCWKJC-UHFFFAOYSA-N 1 2 338.411 2.159 20 30 EEEDLO N#Cc1cc(F)c(NCC[NH+]2CCOCC2)cc1Br ZINC000311391147 466524097 /nfs/dbraw/zinc/52/40/97/466524097.db2.gz DAZRKBOWQXERCM-UHFFFAOYSA-N 1 2 328.185 2.204 20 30 EEEDLO C=CCN1CC[C@H]([NH2+][C@@H](CO)c2c(Cl)cccc2Cl)C1=O ZINC000337261677 465273365 /nfs/dbraw/zinc/27/33/65/465273365.db2.gz WHFOTHNNNVQEBL-STQMWFEESA-N 1 2 329.227 2.403 20 30 EEEDLO COCC1(C#N)CC[NH+](CC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000341969999 465280136 /nfs/dbraw/zinc/28/01/36/465280136.db2.gz CXPKRVNAEFOEII-GOSISDBHSA-N 1 2 341.455 2.432 20 30 EEEDLO COCC1(C#N)CC[NH+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000341983721 465280744 /nfs/dbraw/zinc/28/07/44/465280744.db2.gz UTNSGFNYNZWWPX-KRWDZBQOSA-N 1 2 345.418 2.398 20 30 EEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccnc3cc(F)cnc32)CC1 ZINC000329259025 465282637 /nfs/dbraw/zinc/28/26/37/465282637.db2.gz DMSNOXOHOPERNV-LBPRGKRZSA-N 1 2 343.406 2.398 20 30 EEEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)N[C@H]1CCCNC1=O)C2 ZINC000329309446 465295812 /nfs/dbraw/zinc/29/58/12/465295812.db2.gz ZEYVCAZIEMLLMJ-RYUDHWBXSA-N 1 2 333.436 2.118 20 30 EEEDLO Cn1ccc(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cc1=O ZINC000329376507 465316052 /nfs/dbraw/zinc/31/60/52/465316052.db2.gz LKQPVYGSOSHWMM-CYBMUJFWSA-N 1 2 328.416 2.199 20 30 EEEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000088757808 462643318 /nfs/dbraw/zinc/64/33/18/462643318.db2.gz PGSUUVDWWOIUBL-CQSZACIVSA-N 1 2 346.862 2.345 20 30 EEEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)Cc3ccccc3)CC2)cc1 ZINC000046068967 462643600 /nfs/dbraw/zinc/64/36/00/462643600.db2.gz ALBZKHCXDWIKCL-UHFFFAOYSA-N 1 2 349.434 2.324 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2nccn2C)c(OC)c1 ZINC000153446646 462651694 /nfs/dbraw/zinc/65/16/94/462651694.db2.gz BNPGJQNDDNMETG-MRXNPFEDSA-N 1 2 345.443 2.029 20 30 EEEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)Cc2nccn2C)c(OC)c1 ZINC000153446646 462651697 /nfs/dbraw/zinc/65/16/97/462651697.db2.gz BNPGJQNDDNMETG-MRXNPFEDSA-N 1 2 345.443 2.029 20 30 EEEDLO COC(=O)c1ccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046519014 462687231 /nfs/dbraw/zinc/68/72/31/462687231.db2.gz RTXWDFJQVMTWHK-UHFFFAOYSA-N 1 2 337.379 2.415 20 30 EEEDLO COC(=O)c1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046519014 462687234 /nfs/dbraw/zinc/68/72/34/462687234.db2.gz RTXWDFJQVMTWHK-UHFFFAOYSA-N 1 2 337.379 2.415 20 30 EEEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCN(c4ccccn4)CC3)o2)cc1 ZINC000075621875 462741047 /nfs/dbraw/zinc/74/10/47/462741047.db2.gz SFDQWBGUCYJIJI-UHFFFAOYSA-N 1 2 346.394 2.325 20 30 EEEDLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccc(C#N)s2)cc1 ZINC000131251194 462802094 /nfs/dbraw/zinc/80/20/94/462802094.db2.gz IHDJXFVGMOKDBQ-UHFFFAOYSA-N 1 2 349.481 2.339 20 30 EEEDLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2ccc(C#N)s2)cc1 ZINC000131251194 462802100 /nfs/dbraw/zinc/80/21/00/462802100.db2.gz IHDJXFVGMOKDBQ-UHFFFAOYSA-N 1 2 349.481 2.339 20 30 EEEDLO CC[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117777584 462813158 /nfs/dbraw/zinc/81/31/58/462813158.db2.gz QXOOXQHOTOJOIU-KSSFIOAISA-N 1 2 332.423 2.145 20 30 EEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000048041493 462852157 /nfs/dbraw/zinc/85/21/57/462852157.db2.gz BCXYUDNSTMHDCB-UHFFFAOYSA-N 1 2 342.418 2.020 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000076842716 462916433 /nfs/dbraw/zinc/91/64/33/462916433.db2.gz KENYQFLLPYRJTB-UHFFFAOYSA-N 1 2 346.450 2.096 20 30 EEEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000076842716 462916436 /nfs/dbraw/zinc/91/64/36/462916436.db2.gz KENYQFLLPYRJTB-UHFFFAOYSA-N 1 2 346.450 2.096 20 30 EEEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3ccc(C#N)cc3C)cn2c1 ZINC000077386927 462977641 /nfs/dbraw/zinc/97/76/41/462977641.db2.gz GBIKLQXJZCHEAH-UHFFFAOYSA-N 1 2 340.408 2.301 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000016588721 462983406 /nfs/dbraw/zinc/98/34/06/462983406.db2.gz PGJGHLSJNRQKEA-ZDUSSCGKSA-N 1 2 344.440 2.445 20 30 EEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000016588721 462983410 /nfs/dbraw/zinc/98/34/10/462983410.db2.gz PGJGHLSJNRQKEA-ZDUSSCGKSA-N 1 2 344.440 2.445 20 30 EEEDLO N#Cc1cc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1F ZINC000077499775 462996485 /nfs/dbraw/zinc/99/64/85/462996485.db2.gz MKVSBBPRORJARY-UHFFFAOYSA-N 1 2 325.347 2.446 20 30 EEEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000052688494 463100530 /nfs/dbraw/zinc/10/05/30/463100530.db2.gz NCZGXUSCSCCFQS-UHFFFAOYSA-N 1 2 338.411 2.316 20 30 EEEDLO COc1ccc(C[N@@H+]2CCO[C@@](C)(c3cnn(C)c3)C2)cc1C#N ZINC000135153232 463124880 /nfs/dbraw/zinc/12/48/80/463124880.db2.gz QESRGLIGYZEAKX-GOSISDBHSA-N 1 2 326.400 2.048 20 30 EEEDLO COc1ccc(C[N@H+]2CCO[C@@](C)(c3cnn(C)c3)C2)cc1C#N ZINC000135153232 463124885 /nfs/dbraw/zinc/12/48/85/463124885.db2.gz QESRGLIGYZEAKX-GOSISDBHSA-N 1 2 326.400 2.048 20 30 EEEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000053440665 463163405 /nfs/dbraw/zinc/16/34/05/463163405.db2.gz XYKNCGSDGMMFNC-MRXNPFEDSA-N 1 2 344.459 2.128 20 30 EEEDLO N#Cc1ccc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c([N+](=O)[O-])c1 ZINC000029625956 463266011 /nfs/dbraw/zinc/26/60/11/463266011.db2.gz XHRCTSDKCCXOFL-INIZCTEOSA-N 1 2 348.428 2.086 20 30 EEEDLO COCC[N@H+](CC(=O)N1CCCC[C@H]1C)Cc1ccc(C#N)cc1 ZINC000069520816 463266612 /nfs/dbraw/zinc/26/66/12/463266612.db2.gz CERGZBDGNBWZGF-MRXNPFEDSA-N 1 2 329.444 2.408 20 30 EEEDLO COCC[N@@H+](CC(=O)N1CCCC[C@H]1C)Cc1ccc(C#N)cc1 ZINC000069520816 463266616 /nfs/dbraw/zinc/26/66/16/463266616.db2.gz CERGZBDGNBWZGF-MRXNPFEDSA-N 1 2 329.444 2.408 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000081512598 463451006 /nfs/dbraw/zinc/45/10/06/463451006.db2.gz XDFNNJSNBIXJFS-QGZVFWFLSA-N 1 2 329.425 2.497 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000081512598 463451013 /nfs/dbraw/zinc/45/10/13/463451013.db2.gz XDFNNJSNBIXJFS-QGZVFWFLSA-N 1 2 329.425 2.497 20 30 EEEDLO C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2cn3ccccc3[nH+]2)C1=O ZINC000071907310 463465811 /nfs/dbraw/zinc/46/58/11/463465811.db2.gz IYMNDYUSPHJHRW-LJQANCHMSA-N 1 2 345.362 2.173 20 30 EEEDLO N#CC1(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCCCC1 ZINC000057385658 463484150 /nfs/dbraw/zinc/48/41/50/463484150.db2.gz HODBTRXSQUWXNU-UHFFFAOYSA-N 1 2 328.416 2.008 20 30 EEEDLO Cc1cc(N)nc(S[C@@H]2CCN(c3sccc3C#N)C2=O)[nH+]1 ZINC000083090897 463534595 /nfs/dbraw/zinc/53/45/95/463534595.db2.gz DGYQPBXAHOHJQR-SNVBAGLBSA-N 1 2 331.426 2.198 20 30 EEEDLO N#Cc1ccc(F)c(CS(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000164371722 463622600 /nfs/dbraw/zinc/62/26/00/463622600.db2.gz AAVFGSLYSZWZGG-HNNXBMFYSA-N 1 2 348.403 2.477 20 30 EEEDLO C=CC1CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1 ZINC000111450485 463678844 /nfs/dbraw/zinc/67/88/44/463678844.db2.gz KRPACUIKXSTXQF-UHFFFAOYSA-N 1 2 330.432 2.026 20 30 EEEDLO C#CC[NH+]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000044756679 463692641 /nfs/dbraw/zinc/69/26/41/463692641.db2.gz ASUXCLIEWMOZHB-UHFFFAOYSA-N 1 2 332.385 2.080 20 30 EEEDLO C#CC[NH+]1CCN(Cn2nc(C)n(-c3ccccc3C)c2=S)CC1 ZINC000044756586 463692878 /nfs/dbraw/zinc/69/28/78/463692878.db2.gz OEDNWDBCJFAQBC-UHFFFAOYSA-N 1 2 341.484 2.228 20 30 EEEDLO C=CCN(CC1CCCCC1)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000112216017 463693487 /nfs/dbraw/zinc/69/34/87/463693487.db2.gz HYPCMWINBHQPRF-QGZVFWFLSA-N 1 2 336.524 2.400 20 30 EEEDLO C=CCCOCC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000590919414 468371686 /nfs/dbraw/zinc/37/16/86/468371686.db2.gz GGZQTZGOHSEXKP-INIZCTEOSA-N 1 2 332.444 2.493 20 30 EEEDLO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193773347 463738978 /nfs/dbraw/zinc/73/89/78/463738978.db2.gz MGTRJPHLLKXBJE-HNNXBMFYSA-N 1 2 335.411 2.102 20 30 EEEDLO N#Cc1ccc(C[NH+]2CCN(C[C@@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC000276822481 463767973 /nfs/dbraw/zinc/76/79/73/463767973.db2.gz PMYHFBVIOYOLJH-SFHVURJKSA-N 1 2 339.439 2.162 20 30 EEEDLO CC(C)N1CCC[C@@H]([NH+]2CCN(c3ccc(C#N)cc3F)CC2)C1=O ZINC000177699915 463769248 /nfs/dbraw/zinc/76/92/48/463769248.db2.gz KIORFEBYHJWLEX-GOSISDBHSA-N 1 2 344.434 2.219 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000287006417 463769662 /nfs/dbraw/zinc/76/96/62/463769662.db2.gz RDWCMHWAFIQBSZ-WMLDXEAASA-N 1 2 340.464 2.448 20 30 EEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@](F)(CO)C1 ZINC000287006417 463769667 /nfs/dbraw/zinc/76/96/67/463769667.db2.gz RDWCMHWAFIQBSZ-WMLDXEAASA-N 1 2 340.464 2.448 20 30 EEEDLO Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)cc1C ZINC000278547454 463969407 /nfs/dbraw/zinc/96/94/07/463969407.db2.gz HBCLMDDHBGHFJJ-IRXDYDNUSA-N 1 2 347.484 2.302 20 30 EEEDLO CN1CC[C@@H]([N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)C1=O ZINC000269633089 464040155 /nfs/dbraw/zinc/04/01/55/464040155.db2.gz WWDOJEMVJOCVAD-CQSZACIVSA-N 1 2 326.318 2.099 20 30 EEEDLO CN1CC[C@@H]([N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)C1=O ZINC000269633089 464040160 /nfs/dbraw/zinc/04/01/60/464040160.db2.gz WWDOJEMVJOCVAD-CQSZACIVSA-N 1 2 326.318 2.099 20 30 EEEDLO C#C[C@@H](NC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1)C(C)(C)C ZINC000288453788 464046026 /nfs/dbraw/zinc/04/60/26/464046026.db2.gz FWEJCIYXRYOTTQ-GDBMZVCRSA-N 1 2 344.459 2.154 20 30 EEEDLO C=CCCCCCN(C)C(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000283958278 464054112 /nfs/dbraw/zinc/05/41/12/464054112.db2.gz NEPMXPZYYKWFTO-UHFFFAOYSA-N 1 2 328.416 2.155 20 30 EEEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@H](C2CC2)O1 ZINC000279364966 464092267 /nfs/dbraw/zinc/09/22/67/464092267.db2.gz RIBMSSFREQGNQV-CRAIPNDOSA-N 1 2 327.428 2.433 20 30 EEEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@H](C2CC2)O1 ZINC000279364966 464092271 /nfs/dbraw/zinc/09/22/71/464092271.db2.gz RIBMSSFREQGNQV-CRAIPNDOSA-N 1 2 327.428 2.433 20 30 EEEDLO Cc1ccc(S(=O)(=O)N2CC[NH+](CCCCC#N)CC2)cc1C ZINC000198667826 464092509 /nfs/dbraw/zinc/09/25/09/464092509.db2.gz GEHCHRGBEVUXTJ-UHFFFAOYSA-N 1 2 335.473 2.304 20 30 EEEDLO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000289871811 464098730 /nfs/dbraw/zinc/09/87/30/464098730.db2.gz RIDFEBZPHRIYDF-DLBZAZTESA-N 1 2 348.468 2.221 20 30 EEEDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000289871811 464098735 /nfs/dbraw/zinc/09/87/35/464098735.db2.gz RIDFEBZPHRIYDF-DLBZAZTESA-N 1 2 348.468 2.221 20 30 EEEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000264224936 464289599 /nfs/dbraw/zinc/28/95/99/464289599.db2.gz QCDBCWWLCDRXPC-CQSZACIVSA-N 1 2 333.457 2.379 20 30 EEEDLO C=CCN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)C1CC1 ZINC000271462196 464318151 /nfs/dbraw/zinc/31/81/51/464318151.db2.gz PYHFRSYCZXTFBA-GOSISDBHSA-N 1 2 329.444 2.420 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cc(F)ccc2C)C1=O ZINC000281233310 464379745 /nfs/dbraw/zinc/37/97/45/464379745.db2.gz FOMAVPBXYPTGSL-XJKSGUPXSA-N 1 2 333.407 2.180 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2cc(F)ccc2C)C1=O ZINC000281233310 464379753 /nfs/dbraw/zinc/37/97/53/464379753.db2.gz FOMAVPBXYPTGSL-XJKSGUPXSA-N 1 2 333.407 2.180 20 30 EEEDLO N#C[C@]1(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CC12CCCC2 ZINC000294229447 464437498 /nfs/dbraw/zinc/43/74/98/464437498.db2.gz DRAAMTALOMEYCA-IBGZPJMESA-N 1 2 340.427 2.008 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)C1=O ZINC000281403421 464441930 /nfs/dbraw/zinc/44/19/30/464441930.db2.gz QQFXOHLQUOIYCM-RYUDHWBXSA-N 1 2 342.365 2.395 20 30 EEEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)C1=O ZINC000281403421 464441933 /nfs/dbraw/zinc/44/19/33/464441933.db2.gz QQFXOHLQUOIYCM-RYUDHWBXSA-N 1 2 342.365 2.395 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(C)cc2C)C1=O ZINC000281407991 464443572 /nfs/dbraw/zinc/44/35/72/464443572.db2.gz QZWFQKUDYGNSQD-NVXWUHKLSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(C)cc2C)C1=O ZINC000281407991 464443577 /nfs/dbraw/zinc/44/35/77/464443577.db2.gz QZWFQKUDYGNSQD-NVXWUHKLSA-N 1 2 329.444 2.349 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCCN(c3ccccc3F)C2=O)C1=O ZINC000281423982 464450237 /nfs/dbraw/zinc/45/02/37/464450237.db2.gz RWBJQKRCLDJPHB-SJORKVTESA-N 1 2 345.418 2.040 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(c3ccccc3F)C2=O)C1=O ZINC000281423982 464450243 /nfs/dbraw/zinc/45/02/43/464450243.db2.gz RWBJQKRCLDJPHB-SJORKVTESA-N 1 2 345.418 2.040 20 30 EEEDLO C#CCCOc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000294476080 464511220 /nfs/dbraw/zinc/51/12/20/464511220.db2.gz VIIVEZOWNWUTND-UHFFFAOYSA-N 1 2 335.407 2.446 20 30 EEEDLO CC[C@@H](C)[C@@H](O)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000246618211 464605843 /nfs/dbraw/zinc/60/58/43/464605843.db2.gz SSQYVYOAEFNDCD-DOMZBBRYSA-N 1 2 342.443 2.053 20 30 EEEDLO C=CCn1c(-c2cccnc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000282232809 464746158 /nfs/dbraw/zinc/74/61/58/464746158.db2.gz JMAQWIIPQOEPCM-UHFFFAOYSA-N 1 2 347.426 2.248 20 30 EEEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000286197748 464835929 /nfs/dbraw/zinc/83/59/29/464835929.db2.gz RDIJTKMCSJDHAA-IBGZPJMESA-N 1 2 345.443 2.288 20 30 EEEDLO Cn1cc([C@H]2CCC[N@@H+]2[C@@H]2CCN(c3sccc3C#N)C2=O)cn1 ZINC000177047126 464916257 /nfs/dbraw/zinc/91/62/57/464916257.db2.gz BZFPXFFECIKZCQ-HUUCEWRRSA-N 1 2 341.440 2.296 20 30 EEEDLO Cn1cc([C@H]2CCC[N@H+]2[C@@H]2CCN(c3sccc3C#N)C2=O)cn1 ZINC000177047126 464916262 /nfs/dbraw/zinc/91/62/62/464916262.db2.gz BZFPXFFECIKZCQ-HUUCEWRRSA-N 1 2 341.440 2.296 20 30 EEEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000295675778 464926081 /nfs/dbraw/zinc/92/60/81/464926081.db2.gz RNJJLFLRHKZLTE-OAHLLOKOSA-N 1 2 326.400 2.474 20 30 EEEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000295675778 464926086 /nfs/dbraw/zinc/92/60/86/464926086.db2.gz RNJJLFLRHKZLTE-OAHLLOKOSA-N 1 2 326.400 2.474 20 30 EEEDLO C[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000267558502 464936425 /nfs/dbraw/zinc/93/64/25/464936425.db2.gz ZRXFIQSCYIQXLG-WMLDXEAASA-N 1 2 346.450 2.391 20 30 EEEDLO O=C(NCc1ccc2c(c1)C(=O)NCC2)C1([NH+]2CCOCC2)CCC1 ZINC000329404397 465323797 /nfs/dbraw/zinc/32/37/97/465323797.db2.gz CIRFRERZATXVKS-UHFFFAOYSA-N 1 2 343.427 2.259 20 30 EEEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc2ccccc2n1CC#N ZINC000591230531 468430383 /nfs/dbraw/zinc/43/03/83/468430383.db2.gz TWHQZVLZQRXMKS-UHFFFAOYSA-N 1 2 340.427 2.005 20 30 EEEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000356482431 465410738 /nfs/dbraw/zinc/41/07/38/465410738.db2.gz UXAPPROCHFTSLP-XJKSGUPXSA-N 1 2 344.459 2.228 20 30 EEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000356482431 465410746 /nfs/dbraw/zinc/41/07/46/465410746.db2.gz UXAPPROCHFTSLP-XJKSGUPXSA-N 1 2 344.459 2.228 20 30 EEEDLO Cn1nccc1[C@@H]1CCCCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329757525 465424792 /nfs/dbraw/zinc/42/47/92/465424792.db2.gz ZKINLWDORSVVIG-LRDDRELGSA-N 1 2 328.420 2.142 20 30 EEEDLO Cn1nccc1[C@@H]1CCCCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329757525 465424799 /nfs/dbraw/zinc/42/47/99/465424799.db2.gz ZKINLWDORSVVIG-LRDDRELGSA-N 1 2 328.420 2.142 20 30 EEEDLO CC(C)n1ncc2ccc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)cc21 ZINC000329928347 465476687 /nfs/dbraw/zinc/47/66/87/465476687.db2.gz MHQRNILBFCUYRL-IAGOWNOFSA-N 1 2 343.431 2.178 20 30 EEEDLO CC(C)n1ncc2ccc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)cc21 ZINC000329928347 465476693 /nfs/dbraw/zinc/47/66/93/465476693.db2.gz MHQRNILBFCUYRL-IAGOWNOFSA-N 1 2 343.431 2.178 20 30 EEEDLO C[C@@H]1C[C@H](C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CO1 ZINC000329928742 465476809 /nfs/dbraw/zinc/47/68/09/465476809.db2.gz MTZKUUGXEABZED-BPQIPLTHSA-N 1 2 332.444 2.311 20 30 EEEDLO N#CC[C@H](O)CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000352161137 465483868 /nfs/dbraw/zinc/48/38/68/465483868.db2.gz UPFIRKWQNJLDBT-LBPRGKRZSA-N 1 2 329.360 2.321 20 30 EEEDLO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C)[C@H](c3[nH+]ccn3C)C2)[C@H]1C ZINC000329964218 465489887 /nfs/dbraw/zinc/48/98/87/465489887.db2.gz UITYLWWQPJEWPY-QZWWFDLISA-N 1 2 347.507 2.490 20 30 EEEDLO CC#CC[N@@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000339764186 465496471 /nfs/dbraw/zinc/49/64/71/465496471.db2.gz RZQYCSOIINAWFG-QGZVFWFLSA-N 1 2 330.428 2.322 20 30 EEEDLO CC#CC[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000339764186 465496472 /nfs/dbraw/zinc/49/64/72/465496472.db2.gz RZQYCSOIINAWFG-QGZVFWFLSA-N 1 2 330.428 2.322 20 30 EEEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C[C@H]3CCOC3)c2)CC1 ZINC000329985137 465497409 /nfs/dbraw/zinc/49/74/09/465497409.db2.gz CWNJCGKZJRLAPL-QGZVFWFLSA-N 1 2 345.443 2.365 20 30 EEEDLO Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCN3C(=O)NC[C@H]3C2)c(C)c1 ZINC000330016862 465507164 /nfs/dbraw/zinc/50/71/64/465507164.db2.gz QFOZQZNVPMYFHF-INIZCTEOSA-N 1 2 344.459 2.025 20 30 EEEDLO Cc1cc(C)c(CCNC(=O)C[N@H+]2CCN3C(=O)NC[C@H]3C2)c(C)c1 ZINC000330016862 465507170 /nfs/dbraw/zinc/50/71/70/465507170.db2.gz QFOZQZNVPMYFHF-INIZCTEOSA-N 1 2 344.459 2.025 20 30 EEEDLO C=CCCC[C@H](C)NC(=O)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000352239270 465510228 /nfs/dbraw/zinc/51/02/28/465510228.db2.gz UMCYNRDSKJJUFF-DZGCQCFKSA-N 1 2 332.448 2.046 20 30 EEEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000330076912 465525948 /nfs/dbraw/zinc/52/59/48/465525948.db2.gz MOJPQFBMDBFPSI-SNUQEOBHSA-N 1 2 348.399 2.272 20 30 EEEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000330076912 465525950 /nfs/dbraw/zinc/52/59/50/465525950.db2.gz MOJPQFBMDBFPSI-SNUQEOBHSA-N 1 2 348.399 2.272 20 30 EEEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(F)(C#N)CC1 ZINC000352449083 465530135 /nfs/dbraw/zinc/53/01/35/465530135.db2.gz KQUYWFZAZMNRPC-LBPRGKRZSA-N 1 2 333.363 2.112 20 30 EEEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)C1=O ZINC000343609962 465533627 /nfs/dbraw/zinc/53/36/27/465533627.db2.gz XUSMKZOHSAPOKE-KRWDZBQOSA-N 1 2 328.391 2.230 20 30 EEEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)C1=O ZINC000343609962 465533633 /nfs/dbraw/zinc/53/36/33/465533633.db2.gz XUSMKZOHSAPOKE-KRWDZBQOSA-N 1 2 328.391 2.230 20 30 EEEDLO CCOCc1ccc(CNC(=O)C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352484507 465533932 /nfs/dbraw/zinc/53/39/32/465533932.db2.gz QGTMCHOFKZXZNR-UHFFFAOYSA-N 1 2 333.407 2.167 20 30 EEEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H](C(F)(F)F)O1 ZINC000330211256 465569876 /nfs/dbraw/zinc/56/98/76/465569876.db2.gz IZVQDRYXFTVNCW-BXKDBHETSA-N 1 2 346.353 2.223 20 30 EEEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H](C(F)(F)F)O1 ZINC000330211256 465569879 /nfs/dbraw/zinc/56/98/79/465569879.db2.gz IZVQDRYXFTVNCW-BXKDBHETSA-N 1 2 346.353 2.223 20 30 EEEDLO CCN1CC[N@H+](Cc2ccc(C#N)cc2OC)C[C@H]1c1ncc[nH]1 ZINC000348368942 465571637 /nfs/dbraw/zinc/57/16/37/465571637.db2.gz KZKDSHGFIPRAMS-INIZCTEOSA-N 1 2 325.416 2.169 20 30 EEEDLO CCN1CC[N@@H+](Cc2ccc(C#N)cc2OC)C[C@H]1c1ncc[nH]1 ZINC000348368942 465571647 /nfs/dbraw/zinc/57/16/47/465571647.db2.gz KZKDSHGFIPRAMS-INIZCTEOSA-N 1 2 325.416 2.169 20 30 EEEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000593951703 468442309 /nfs/dbraw/zinc/44/23/09/468442309.db2.gz PXTIBZDGMBEOKK-KRWDZBQOSA-N 1 2 348.450 2.476 20 30 EEEDLO C=C(C)[C@H](c1ccc(F)c(F)c1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000348552605 465680400 /nfs/dbraw/zinc/68/04/00/465680400.db2.gz LKEQPZSEIVJGAI-LSDHHAIUSA-N 1 2 346.337 2.468 20 30 EEEDLO C=C(C)[C@H](c1ccc(F)c(F)c1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000348552605 465680406 /nfs/dbraw/zinc/68/04/06/465680406.db2.gz LKEQPZSEIVJGAI-LSDHHAIUSA-N 1 2 346.337 2.468 20 30 EEEDLO CC(C)(C)n1ncc(C(=O)NCC[NH+]2CCOCC2)c1C(F)(F)F ZINC000330544245 465700440 /nfs/dbraw/zinc/70/04/40/465700440.db2.gz XYCNOESISMMNQO-UHFFFAOYSA-N 1 2 348.369 2.294 20 30 EEEDLO Cc1nc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)c(Br)s1 ZINC000330706578 465771399 /nfs/dbraw/zinc/77/13/99/465771399.db2.gz OUGHWAOKUDZQOQ-MRVPVSSYSA-N 1 2 348.266 2.239 20 30 EEEDLO C=C(C)CN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000361122732 465779187 /nfs/dbraw/zinc/77/91/87/465779187.db2.gz ZBYWLNXLXNAMDG-CVEARBPZSA-N 1 2 349.862 2.236 20 30 EEEDLO C=C(C)CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000361122732 465779197 /nfs/dbraw/zinc/77/91/97/465779197.db2.gz ZBYWLNXLXNAMDG-CVEARBPZSA-N 1 2 349.862 2.236 20 30 EEEDLO O=C(NCC#Cc1cccc(F)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000338100799 465820062 /nfs/dbraw/zinc/82/00/62/465820062.db2.gz XCUWGQNJDFOOAK-UHFFFAOYSA-N 1 2 341.386 2.298 20 30 EEEDLO CC#CCCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000361248165 465861838 /nfs/dbraw/zinc/86/18/38/465861838.db2.gz OKDSMSSTGDYFKC-SFHVURJKSA-N 1 2 329.444 2.081 20 30 EEEDLO Cc1cc(C[NH+]2CCN([C@@H](C(N)=O)c3ccccc3)CC2)ccc1C#N ZINC000348938670 465882688 /nfs/dbraw/zinc/88/26/88/465882688.db2.gz ZISPMTFHXALJRU-HXUWFJFHSA-N 1 2 348.450 2.211 20 30 EEEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)CCC2 ZINC000366707598 465890597 /nfs/dbraw/zinc/89/05/97/465890597.db2.gz YAXZVMMMCDLDFE-MRXNPFEDSA-N 1 2 344.440 2.060 20 30 EEEDLO Cc1onc(CC(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1C#N ZINC000338262074 465958890 /nfs/dbraw/zinc/95/88/90/465958890.db2.gz QRGVLLNYEXTOHG-MRXNPFEDSA-N 1 2 344.802 2.224 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000371753206 465980588 /nfs/dbraw/zinc/98/05/88/465980588.db2.gz NNAFVDYTAATEFP-QGZVFWFLSA-N 1 2 348.468 2.080 20 30 EEEDLO N#Cc1cccc(-n2ccc(C(=O)N3CCC[C@@H]3c3[nH]cc[nH+]3)n2)c1 ZINC000366974063 466048796 /nfs/dbraw/zinc/04/87/96/466048796.db2.gz PVTGIOHLUMDZBR-MRXNPFEDSA-N 1 2 332.367 2.444 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000362976280 466157461 /nfs/dbraw/zinc/15/74/61/466157461.db2.gz JRWMMMRLJLSZBN-OAHLLOKOSA-N 1 2 341.436 2.251 20 30 EEEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000362976280 466157465 /nfs/dbraw/zinc/15/74/65/466157465.db2.gz JRWMMMRLJLSZBN-OAHLLOKOSA-N 1 2 341.436 2.251 20 30 EEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Cc1noc(C)c1C#N ZINC000331633465 466172996 /nfs/dbraw/zinc/17/29/96/466172996.db2.gz OQYZPPSATUEHFR-HNNXBMFYSA-N 1 2 327.388 2.367 20 30 EEEDLO C[C@H]1C[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)S1=O ZINC000361653932 466179498 /nfs/dbraw/zinc/17/94/98/466179498.db2.gz JTAYNFJYEDBHGH-KBPBESRZSA-N 1 2 342.468 2.300 20 30 EEEDLO N#Cc1ccccc1S(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000361824123 466322847 /nfs/dbraw/zinc/32/28/47/466322847.db2.gz ZUTBCDCXXNHHSL-UHFFFAOYSA-N 1 2 338.392 2.427 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000569428817 468487713 /nfs/dbraw/zinc/48/77/13/468487713.db2.gz LSSRMWGGGJQBRA-MSOLQXFVSA-N 1 2 340.427 2.464 20 30 EEEDLO COc1cc(C)c(C[NH+]2CCN(c3ncccc3C#N)CC2)c(C)n1 ZINC000332397596 466540514 /nfs/dbraw/zinc/54/05/14/466540514.db2.gz QJSNETVTPJVNGC-UHFFFAOYSA-N 1 2 337.427 2.296 20 30 EEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)CCO1 ZINC000332408585 466540815 /nfs/dbraw/zinc/54/08/15/466540815.db2.gz IRQQPMUTDSGSQB-NHYWBVRUSA-N 1 2 346.337 2.220 20 30 EEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368331525 466598063 /nfs/dbraw/zinc/59/80/63/466598063.db2.gz DZDQZPCOVDYZGO-BYNSBNAKSA-N 1 2 345.468 2.189 20 30 EEEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368331525 466598070 /nfs/dbraw/zinc/59/80/70/466598070.db2.gz DZDQZPCOVDYZGO-BYNSBNAKSA-N 1 2 345.468 2.189 20 30 EEEDLO C=CCN1CC(=O)N([C@H](c2[nH+]ccn2C)c2cccc(F)c2)C1=O ZINC000372866116 466622313 /nfs/dbraw/zinc/62/23/13/466622313.db2.gz NUTCZXVDWQYNSI-HNNXBMFYSA-N 1 2 328.347 2.099 20 30 EEEDLO C[C@H](O)c1cn(C2C[NH+](Cc3cccc(OCCCC#N)c3)C2)nn1 ZINC000374817765 466750796 /nfs/dbraw/zinc/75/07/96/466750796.db2.gz IHPPIDGMWUPHGR-AWEZNQCLSA-N 1 2 341.415 2.071 20 30 EEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(SCC#N)c1 ZINC000375902655 466882013 /nfs/dbraw/zinc/88/20/13/466882013.db2.gz QDKJLXHTMVPBDN-GOEBONIOSA-N 1 2 345.468 2.237 20 30 EEEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000425479038 467097205 /nfs/dbraw/zinc/09/72/05/467097205.db2.gz CXNQJJHITGDHHF-NWDGAFQWSA-N 1 2 337.445 2.169 20 30 EEEDLO Cc1cc(N2CC[NH+](Cc3ccccn3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413032594 467157975 /nfs/dbraw/zinc/15/79/75/467157975.db2.gz KJJSPSOYBBMXED-UHFFFAOYSA-N 1 2 337.383 2.492 20 30 EEEDLO C=C[C@H](CO)[NH2+]Cc1c(Br)cncc1Br ZINC000419709541 467238905 /nfs/dbraw/zinc/23/89/05/467238905.db2.gz PBCOJDAWQZKERR-SSDOTTSWSA-N 1 2 336.027 2.243 20 30 EEEDLO CO[C@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C12CCC2 ZINC000451858857 467275354 /nfs/dbraw/zinc/27/53/54/467275354.db2.gz VTUGQMWAYUZDAW-SJORKVTESA-N 1 2 348.468 2.221 20 30 EEEDLO CO[C@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C12CCC2 ZINC000451858857 467275358 /nfs/dbraw/zinc/27/53/58/467275358.db2.gz VTUGQMWAYUZDAW-SJORKVTESA-N 1 2 348.468 2.221 20 30 EEEDLO CCC[N@H+](CC(N)=O)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000429146348 467305608 /nfs/dbraw/zinc/30/56/08/467305608.db2.gz ZIECAPUCHIGAJI-UHFFFAOYSA-N 1 2 348.472 2.024 20 30 EEEDLO CCC[N@@H+](CC(N)=O)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000429146348 467305610 /nfs/dbraw/zinc/30/56/10/467305610.db2.gz ZIECAPUCHIGAJI-UHFFFAOYSA-N 1 2 348.472 2.024 20 30 EEEDLO C[N@H+](CCC#N)C[C@H](O)CSc1ccc(Br)cn1 ZINC000414128614 467380001 /nfs/dbraw/zinc/38/00/01/467380001.db2.gz HIFNNGCPTBSQRS-NSHDSACASA-N 1 2 330.251 2.143 20 30 EEEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1ccc(Br)cn1 ZINC000414128614 467380007 /nfs/dbraw/zinc/38/00/07/467380007.db2.gz HIFNNGCPTBSQRS-NSHDSACASA-N 1 2 330.251 2.143 20 30 EEEDLO C=C(C)CCNC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000453893833 467553349 /nfs/dbraw/zinc/55/33/49/467553349.db2.gz QXHDVDFRMACRKC-OAHLLOKOSA-N 1 2 345.443 2.101 20 30 EEEDLO C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000437426177 467556263 /nfs/dbraw/zinc/55/62/63/467556263.db2.gz ZDEKRSTZMBZAJQ-ZDUSSCGKSA-N 1 2 338.367 2.430 20 30 EEEDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000444780454 467583515 /nfs/dbraw/zinc/58/35/15/467583515.db2.gz FGZBVZJICKFXBB-MAUKXSAKSA-N 1 2 337.464 2.192 20 30 EEEDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000444780454 467583516 /nfs/dbraw/zinc/58/35/16/467583516.db2.gz FGZBVZJICKFXBB-MAUKXSAKSA-N 1 2 337.464 2.192 20 30 EEEDLO C=C(C)CNC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000444962095 467583811 /nfs/dbraw/zinc/58/38/11/467583811.db2.gz DTAYWQBFAFBTLZ-UHFFFAOYSA-N 1 2 330.432 2.048 20 30 EEEDLO C=C(C)CCNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000454401702 467590357 /nfs/dbraw/zinc/59/03/57/467590357.db2.gz XRNDISFWYWEAOL-UHFFFAOYSA-N 1 2 347.459 2.163 20 30 EEEDLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@@]3(C#N)C[C@@H]3C)CC2)cc1 ZINC000448622454 467596536 /nfs/dbraw/zinc/59/65/36/467596536.db2.gz NYPRAEKADIYKJY-HNAYVOBHSA-N 1 2 327.428 2.279 20 30 EEEDLO CC(C)[C@@](C)(C#N)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448844617 467603424 /nfs/dbraw/zinc/60/34/24/467603424.db2.gz NNHZLGTXZFAVJR-MRXNPFEDSA-N 1 2 327.344 2.449 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000448907688 467605464 /nfs/dbraw/zinc/60/54/64/467605464.db2.gz IBDQFSLMBJRBFT-LZQZEXGQSA-N 1 2 344.455 2.492 20 30 EEEDLO COc1cc(/C=C/C(=O)NC(C)(C)c2[nH]cc[nH+]2)ccc1OCC#N ZINC000493114168 467843937 /nfs/dbraw/zinc/84/39/37/467843937.db2.gz HAUGBVWEEYMUHC-FNORWQNLSA-N 1 2 340.383 2.385 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2ncc(C#N)cn2)C1 ZINC000497205105 467883745 /nfs/dbraw/zinc/88/37/45/467883745.db2.gz TWLQERBJOCQPPQ-ZDUSSCGKSA-N 1 2 331.420 2.085 20 30 EEEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2ncc(C#N)cn2)C1 ZINC000497205105 467883747 /nfs/dbraw/zinc/88/37/47/467883747.db2.gz TWLQERBJOCQPPQ-ZDUSSCGKSA-N 1 2 331.420 2.085 20 30 EEEDLO COC(=O)COc1ccc(C[N@H+](CCC#N)C(C)C)cc1[N+](=O)[O-] ZINC000530500198 467989428 /nfs/dbraw/zinc/98/94/28/467989428.db2.gz USMFLYRDTSXJQZ-UHFFFAOYSA-N 1 2 335.360 2.271 20 30 EEEDLO COC(=O)COc1ccc(C[N@@H+](CCC#N)C(C)C)cc1[N+](=O)[O-] ZINC000530500198 467989429 /nfs/dbraw/zinc/98/94/29/467989429.db2.gz USMFLYRDTSXJQZ-UHFFFAOYSA-N 1 2 335.360 2.271 20 30 EEEDLO CO[C@H]1C[NH+](Cc2ccc(C#N)cc2Br)C[C@@H]1OC ZINC000488002158 468065986 /nfs/dbraw/zinc/06/59/86/468065986.db2.gz XDRYGYJXUMUCFY-KBPBESRZSA-N 1 2 325.206 2.166 20 30 EEEDLO Cc1cccc([C@@H](CNC(=O)C2(C#N)CC(C)C2)[NH+]2CCOCC2)c1 ZINC000531811088 468076920 /nfs/dbraw/zinc/07/69/20/468076920.db2.gz BXIDYHRKNAXNIV-KGXSXCIVSA-N 1 2 341.455 2.424 20 30 EEEDLO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1ccc(C#N)cc1F ZINC000495331559 468085295 /nfs/dbraw/zinc/08/52/95/468085295.db2.gz PJCKMJJDAGZZHG-UHFFFAOYSA-N 1 2 337.395 2.016 20 30 EEEDLO CC(C)(C)OC(=O)NCC[N@@H+](CCO)Cc1ccc(C#N)cc1F ZINC000495331559 468085296 /nfs/dbraw/zinc/08/52/96/468085296.db2.gz PJCKMJJDAGZZHG-UHFFFAOYSA-N 1 2 337.395 2.016 20 30 EEEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000574956802 468133608 /nfs/dbraw/zinc/13/36/08/468133608.db2.gz AEYJGPRFTPYHSY-IXDOHACOSA-N 1 2 341.411 2.225 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ncc(C#N)cn3)C[C@@H]12 ZINC000496291998 468144666 /nfs/dbraw/zinc/14/46/66/468144666.db2.gz JPEWTZAOWWAKSK-RBSFLKMASA-N 1 2 343.431 2.083 20 30 EEEDLO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ncc(C#N)cn3)C[C@@H]12 ZINC000496291998 468144674 /nfs/dbraw/zinc/14/46/74/468144674.db2.gz JPEWTZAOWWAKSK-RBSFLKMASA-N 1 2 343.431 2.083 20 30 EEEDLO CN(c1ccccc1)c1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cn1 ZINC000577116373 468178289 /nfs/dbraw/zinc/17/82/89/468178289.db2.gz YLEBGTJHGBGADE-LJQANCHMSA-N 1 2 337.427 2.423 20 30 EEEDLO N#C[C@H]1CC[C@@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000569687835 468527959 /nfs/dbraw/zinc/52/79/59/468527959.db2.gz VUFGHUKDIIYLSD-CGTJXYLNSA-N 1 2 342.443 2.051 20 30 EEEDLO N#CC[C@@]1(O)CC[N@@H+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000592150492 468640222 /nfs/dbraw/zinc/64/02/22/468640222.db2.gz FJYJMUJUBVEQDQ-NVXWUHKLSA-N 1 2 333.819 2.186 20 30 EEEDLO N#CC[C@@]1(O)CC[N@H+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)C1 ZINC000592150492 468640226 /nfs/dbraw/zinc/64/02/26/468640226.db2.gz FJYJMUJUBVEQDQ-NVXWUHKLSA-N 1 2 333.819 2.186 20 30 EEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc[nH+]c2N2CCCC2)cc1 ZINC000594802798 468692879 /nfs/dbraw/zinc/69/28/79/468692879.db2.gz CKEHXCNGEIJBDQ-UHFFFAOYSA-N 1 2 342.424 2.032 20 30 EEEDLO Cc1ccnc(-c2ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc2)n1 ZINC000583990119 468782156 /nfs/dbraw/zinc/78/21/56/468782156.db2.gz GIOXNWNUPJXKQW-QGZVFWFLSA-N 1 2 325.416 2.070 20 30 EEEDLO Cc1ccnc(-c2ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc2)n1 ZINC000583990119 468782160 /nfs/dbraw/zinc/78/21/60/468782160.db2.gz GIOXNWNUPJXKQW-QGZVFWFLSA-N 1 2 325.416 2.070 20 30 EEEDLO N#Cc1cccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000595393221 468836472 /nfs/dbraw/zinc/83/64/72/468836472.db2.gz PDQSTRTYXMNKLB-KRWDZBQOSA-N 1 2 341.436 2.111 20 30 EEEDLO N#Cc1cccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000595393221 468836477 /nfs/dbraw/zinc/83/64/77/468836477.db2.gz PDQSTRTYXMNKLB-KRWDZBQOSA-N 1 2 341.436 2.111 20 30 EEEDLO Cc1cccc(N(CCC#N)C(=O)CN(C)Cc2[nH]cc[nH+]2)c1C ZINC000595401686 468839979 /nfs/dbraw/zinc/83/99/79/468839979.db2.gz MAJHPJUIQVLAQE-UHFFFAOYSA-N 1 2 325.416 2.405 20 30 EEEDLO CN(Cc1c[nH+]c[nH]1)C(=O)NCCSCc1ccccc1C#N ZINC000595443066 468854742 /nfs/dbraw/zinc/85/47/42/468854742.db2.gz UWZFZVJKWMFZBD-UHFFFAOYSA-N 1 2 329.429 2.356 20 30 EEEDLO CN(Cc1c[nH]c[nH+]1)C(=O)NCCSCc1ccccc1C#N ZINC000595443066 468854747 /nfs/dbraw/zinc/85/47/47/468854747.db2.gz UWZFZVJKWMFZBD-UHFFFAOYSA-N 1 2 329.429 2.356 20 30 EEEDLO Cc1noc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1[N+](=O)[O-] ZINC000595473216 468865950 /nfs/dbraw/zinc/86/59/50/468865950.db2.gz UXGBUBWAFDTDQZ-UHFFFAOYSA-N 1 2 327.344 2.344 20 30 EEEDLO N#CCCC1CC[NH+]([C@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 ZINC000584470250 468879542 /nfs/dbraw/zinc/87/95/42/468879542.db2.gz QVPSSPHKVFPPJO-INIZCTEOSA-N 1 2 329.375 2.473 20 30 EEEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000595609780 468920467 /nfs/dbraw/zinc/92/04/67/468920467.db2.gz PAEJUTRWRIYQAL-CQSZACIVSA-N 1 2 329.400 2.412 20 30 EEEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000595609780 468920470 /nfs/dbraw/zinc/92/04/70/468920470.db2.gz PAEJUTRWRIYQAL-CQSZACIVSA-N 1 2 329.400 2.412 20 30 EEEDLO COc1cc2nc(C[N@@H+]3CCC[C@@H](CC#N)C3)[nH]c(=O)c2cc1OC ZINC000595613272 468921698 /nfs/dbraw/zinc/92/16/98/468921698.db2.gz BUORLCCROSMWQG-LBPRGKRZSA-N 1 2 342.399 2.478 20 30 EEEDLO COc1cc2nc(C[N@H+]3CCC[C@@H](CC#N)C3)[nH]c(=O)c2cc1OC ZINC000595613272 468921704 /nfs/dbraw/zinc/92/17/04/468921704.db2.gz BUORLCCROSMWQG-LBPRGKRZSA-N 1 2 342.399 2.478 20 30 EEEDLO Cc1cccn2cc(CCNC(=O)COc3ccc(C#N)cc3)[nH+]c12 ZINC000610434827 468966563 /nfs/dbraw/zinc/96/65/63/468966563.db2.gz NEBDLEKMWKUQNK-UHFFFAOYSA-N 1 2 334.379 2.252 20 30 EEEDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C2 ZINC000595759215 468994659 /nfs/dbraw/zinc/99/46/59/468994659.db2.gz JWZZQSPFYXKWQB-UHFFFAOYSA-N 1 2 335.407 2.241 20 30 EEEDLO COc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)C2 ZINC000595759215 468994670 /nfs/dbraw/zinc/99/46/70/468994670.db2.gz JWZZQSPFYXKWQB-UHFFFAOYSA-N 1 2 335.407 2.241 20 30 EEEDLO COC(=O)c1ccc(N2CC[NH+](Cc3cccc(C#N)n3)CC2)s1 ZINC000602686226 469011115 /nfs/dbraw/zinc/01/11/15/469011115.db2.gz CVYGNOMAHHDVLG-UHFFFAOYSA-N 1 2 342.424 2.124 20 30 EEEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000562699180 469041246 /nfs/dbraw/zinc/04/12/46/469041246.db2.gz VVPJBRNFAQNCQD-CLCXKQKWSA-N 1 2 340.427 2.211 20 30 EEEDLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)CC1(CC#N)CC1 ZINC000602773415 469065544 /nfs/dbraw/zinc/06/55/44/469065544.db2.gz RNOUBPISQVLOGV-UHFFFAOYSA-N 1 2 337.221 2.408 20 30 EEEDLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)CC1(CC#N)CC1 ZINC000602773415 469065549 /nfs/dbraw/zinc/06/55/49/469065549.db2.gz RNOUBPISQVLOGV-UHFFFAOYSA-N 1 2 337.221 2.408 20 30 EEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573210662 469083096 /nfs/dbraw/zinc/08/30/96/469083096.db2.gz QSKPNPWVCBMVAS-ZDUSSCGKSA-N 1 2 344.293 2.187 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000611073956 469153572 /nfs/dbraw/zinc/15/35/72/469153572.db2.gz BIBYAZPCLSOHMS-TZIWHRDSSA-N 1 2 347.418 2.259 20 30 EEEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000611073956 469153578 /nfs/dbraw/zinc/15/35/78/469153578.db2.gz BIBYAZPCLSOHMS-TZIWHRDSSA-N 1 2 347.418 2.259 20 30 EEEDLO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1CCN(CCC#N)CC1 ZINC000611173963 469180218 /nfs/dbraw/zinc/18/02/18/469180218.db2.gz AQSZXWHKGJXSKL-LSDHHAIUSA-N 1 2 348.878 2.437 20 30 EEEDLO COC(=O)[C@H]([NH2+]CCOc1ccc(C#N)cc1)[C@@H]1CCC[C@H](OC)C1 ZINC000573690142 469188312 /nfs/dbraw/zinc/18/83/12/469188312.db2.gz WPYFHCATCBTJLL-BPQIPLTHSA-N 1 2 346.427 2.273 20 30 EEEDLO CC1(C#N)CC[NH+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000574042772 469250701 /nfs/dbraw/zinc/25/07/01/469250701.db2.gz CRUWCGYMFCRFBG-UHFFFAOYSA-N 1 2 327.837 2.113 20 30 EEEDLO N#C[C@]1(F)CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000615530509 469255903 /nfs/dbraw/zinc/25/59/03/469255903.db2.gz AQYXBYWXXFTEDE-QGZVFWFLSA-N 1 2 331.395 2.219 20 30 EEEDLO CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC000611472405 469256287 /nfs/dbraw/zinc/25/62/87/469256287.db2.gz LXNUTMPOHRZSFQ-OAHLLOKOSA-N 1 2 341.415 2.344 20 30 EEEDLO CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC000611472405 469256292 /nfs/dbraw/zinc/25/62/92/469256292.db2.gz LXNUTMPOHRZSFQ-OAHLLOKOSA-N 1 2 341.415 2.344 20 30 EEEDLO N#CCC1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000611677912 469302063 /nfs/dbraw/zinc/30/20/63/469302063.db2.gz ATLDZRDHVKGZJE-UHFFFAOYSA-N 1 2 327.428 2.285 20 30 EEEDLO Cc1cc(N2CCN(Cc3cccc(C#N)n3)CC2)nc(C(C)C)[nH+]1 ZINC000602437302 469316326 /nfs/dbraw/zinc/31/63/26/469316326.db2.gz TYTSGLZIKBENPK-UHFFFAOYSA-N 1 2 336.443 2.497 20 30 EEEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C#N)cc2Br)nn1 ZINC000603243323 469321543 /nfs/dbraw/zinc/32/15/43/469321543.db2.gz KJIXNGUTCFDWLT-UHFFFAOYSA-N 1 2 344.216 2.073 20 30 EEEDLO CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000599699203 469342803 /nfs/dbraw/zinc/34/28/03/469342803.db2.gz DPRSSBPDZNQFTE-OAHLLOKOSA-N 1 2 348.834 2.141 20 30 EEEDLO CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000599699203 469342806 /nfs/dbraw/zinc/34/28/06/469342806.db2.gz DPRSSBPDZNQFTE-OAHLLOKOSA-N 1 2 348.834 2.141 20 30 EEEDLO N#Cc1nccnc1N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000603419321 469388857 /nfs/dbraw/zinc/38/88/57/469388857.db2.gz LPJNUAGHZFNREO-UHFFFAOYSA-N 1 2 334.305 2.089 20 30 EEEDLO C=CCC1(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CCCC1 ZINC000619109968 469529367 /nfs/dbraw/zinc/52/93/67/469529367.db2.gz ADMSPXOMALUKOU-INIZCTEOSA-N 1 2 346.475 2.488 20 30 EEEDLO C=CCC1(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CCCC1 ZINC000619109968 469529370 /nfs/dbraw/zinc/52/93/70/469529370.db2.gz ADMSPXOMALUKOU-INIZCTEOSA-N 1 2 346.475 2.488 20 30 EEEDLO CC(C)C[C@H](C#N)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000608823381 469881778 /nfs/dbraw/zinc/88/17/78/469881778.db2.gz RNLMBXQOMSOVBZ-CYBMUJFWSA-N 1 2 327.344 2.449 20 30 EEEDLO C[N@@H+]1CCc2c(cccc2NS(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000610057746 469977196 /nfs/dbraw/zinc/97/71/96/469977196.db2.gz RFSKSNHRERIETH-UHFFFAOYSA-N 1 2 345.399 2.486 20 30 EEEDLO C[N@H+]1CCc2c(cccc2NS(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000610057746 469977199 /nfs/dbraw/zinc/97/71/99/469977199.db2.gz RFSKSNHRERIETH-UHFFFAOYSA-N 1 2 345.399 2.486 20 30 EEEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000610134707 469982875 /nfs/dbraw/zinc/98/28/75/469982875.db2.gz NWPHIBOQVSVVKA-UHFFFAOYSA-N 1 2 341.436 2.161 20 30 EEEDLO N#Cc1ccc([C@H]([NH2+][C@H](Cn2cccn2)c2ccccc2)C(N)=O)cc1 ZINC000610162513 469984977 /nfs/dbraw/zinc/98/49/77/469984977.db2.gz HRIOWANDSHLGHJ-MOPGFXCFSA-N 1 2 345.406 2.312 20 30 EEEDLO C=C[C@H](CO)[NH2+]Cc1nc(-c2cc(Br)cs2)no1 ZINC000662165807 472017021 /nfs/dbraw/zinc/01/70/21/472017021.db2.gz PQQYBZSRTRJZAV-MRVPVSSYSA-N 1 2 330.207 2.197 20 30 EEEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)cn1)c1ccccc1F ZINC000522679629 485513669 /nfs/dbraw/zinc/51/36/69/485513669.db2.gz WTRSGGGQHAOYOK-INIZCTEOSA-N 1 2 335.342 2.345 20 30 EEEDLO N#Cc1ccc(/C=C\C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000209268909 485529058 /nfs/dbraw/zinc/52/90/58/485529058.db2.gz QJPRCUBMBCACMD-WAYWQWQTSA-N 1 2 332.407 2.311 20 30 EEEDLO COCC#CC[NH+]1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000677818878 486499535 /nfs/dbraw/zinc/49/95/35/486499535.db2.gz KMRJNGYUDMXHIK-INIZCTEOSA-N 1 2 340.427 2.065 20 30 EEEDLO CCO[C@@H](C)c1nc(CN2CC[NH+](CC#CCOC)CC2)cs1 ZINC000677819915 486500045 /nfs/dbraw/zinc/50/00/45/486500045.db2.gz DECZGCXFNDRSDX-HNNXBMFYSA-N 1 2 337.489 2.008 20 30 EEEDLO C#CCCCC(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000191872058 526679685 /nfs/dbraw/zinc/67/96/85/526679685.db2.gz JYXOGWYKXKDHRR-UHFFFAOYSA-N 1 2 330.428 2.152 20 30 EEEDLO C=C[C@@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000292650469 527433700 /nfs/dbraw/zinc/43/37/00/527433700.db2.gz YMRALKRUQZAJCC-KBPBESRZSA-N 1 2 334.807 2.009 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)c1 ZINC000191950908 527449874 /nfs/dbraw/zinc/44/98/74/527449874.db2.gz ASICKVRAOVBRTK-MRXNPFEDSA-N 1 2 326.396 2.024 20 30 EEEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)c1 ZINC000191950908 527449880 /nfs/dbraw/zinc/44/98/80/527449880.db2.gz ASICKVRAOVBRTK-MRXNPFEDSA-N 1 2 326.396 2.024 20 30 EEEDLO CC(C)c1nc(CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)no1 ZINC000104056332 528285273 /nfs/dbraw/zinc/28/52/73/528285273.db2.gz MBSORGJYUMOKQC-UHFFFAOYSA-N 1 2 344.419 2.415 20 30 EEEDLO C#CCNC(=O)C[N@H+]1Cc2cccc(Br)c2C[C@H]1CC ZINC000773927513 577373353 /nfs/dbraw/zinc/37/33/53/577373353.db2.gz RMZYUPNDCLPZNN-CYBMUJFWSA-N 1 2 335.245 2.335 20 30 EEEDLO C#CCNC(=O)C[N@@H+]1Cc2cccc(Br)c2C[C@H]1CC ZINC000773927513 577373356 /nfs/dbraw/zinc/37/33/56/577373356.db2.gz RMZYUPNDCLPZNN-CYBMUJFWSA-N 1 2 335.245 2.335 20 30 EEEDLO C#C[C@H]([NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)[C@@H]1CCCO1 ZINC000775343884 577435515 /nfs/dbraw/zinc/43/55/15/577435515.db2.gz ZESFVEJXMPXFIO-HOCLYGCPSA-N 1 2 334.782 2.330 20 30 EEEDLO C#C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000775346659 577435564 /nfs/dbraw/zinc/43/55/64/577435564.db2.gz JSBUQOQAJRJTLV-OTWHNJEPSA-N 1 2 344.430 2.477 20 30 EEEDLO C#C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000775346659 577435565 /nfs/dbraw/zinc/43/55/65/577435565.db2.gz JSBUQOQAJRJTLV-OTWHNJEPSA-N 1 2 344.430 2.477 20 30 EEEDLO Cc1ccn(CN2CCC(CCCn3cc[nH+]c3)CC2)c(=O)c1C#N ZINC000758251127 577620210 /nfs/dbraw/zinc/62/02/10/577620210.db2.gz XGWZROBWGLKZRA-UHFFFAOYSA-N 1 2 339.443 2.375 20 30 EEEDLO CC(=O)Nc1ccsc1C=NNc1ccc(-n2cc[nH+]c2)nn1 ZINC000761855229 577690150 /nfs/dbraw/zinc/69/01/50/577690150.db2.gz LMRGIIJKSZNEMF-UHFFFAOYSA-N 1 2 327.373 2.128 20 30 EEEDLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000751665420 577757044 /nfs/dbraw/zinc/75/70/44/577757044.db2.gz CDIPBQBCIVXOPU-HOTGVXAUSA-N 1 2 330.384 2.190 20 30 EEEDLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000751665420 577757045 /nfs/dbraw/zinc/75/70/45/577757045.db2.gz CDIPBQBCIVXOPU-HOTGVXAUSA-N 1 2 330.384 2.190 20 30 EEEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CCO[C@H]([C@H]4CCCO4)C3)n2)cc1 ZINC000756858923 577851696 /nfs/dbraw/zinc/85/16/96/577851696.db2.gz XABVHXFORBOZHO-MOPGFXCFSA-N 1 2 338.411 2.259 20 30 EEEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CCO[C@H]([C@H]4CCCO4)C3)n2)cc1 ZINC000756858923 577851697 /nfs/dbraw/zinc/85/16/97/577851697.db2.gz XABVHXFORBOZHO-MOPGFXCFSA-N 1 2 338.411 2.259 20 30 EEEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000758034170 577868671 /nfs/dbraw/zinc/86/86/71/577868671.db2.gz FJFPOTNMPLQQCR-BXUZGUMPSA-N 1 2 332.429 2.468 20 30 EEEDLO CCNC(=O)C[N@H+](CC)CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000742974616 577878447 /nfs/dbraw/zinc/87/84/47/577878447.db2.gz WOESBLXKZSMPDB-LDADJPATSA-N 1 2 343.471 2.325 20 30 EEEDLO CCNC(=O)C[N@@H+](CC)CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000742974616 577878448 /nfs/dbraw/zinc/87/84/48/577878448.db2.gz WOESBLXKZSMPDB-LDADJPATSA-N 1 2 343.471 2.325 20 30 EEEDLO C#CC[NH+]1CCN(C(=O)COc2ccccc2Cc2ccccc2)CC1 ZINC000744425526 577897560 /nfs/dbraw/zinc/89/75/60/577897560.db2.gz ONVIGXJTGTWYJC-UHFFFAOYSA-N 1 2 348.446 2.434 20 30 EEEDLO C#CCSCCNC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000745835174 577919326 /nfs/dbraw/zinc/91/93/26/577919326.db2.gz WIEBGAWNTXDOJM-UHFFFAOYSA-N 1 2 342.468 2.439 20 30 EEEDLO C[C@H]1C[N@H+](CCNC(=O)N[C@H](CCC#N)c2ccccc2)CCO1 ZINC000749186027 577972274 /nfs/dbraw/zinc/97/22/74/577972274.db2.gz KCKCUBRFZYXBKP-DOTOQJQBSA-N 1 2 330.432 2.051 20 30 EEEDLO C[C@H]1C[N@@H+](CCNC(=O)N[C@H](CCC#N)c2ccccc2)CCO1 ZINC000749186027 577972275 /nfs/dbraw/zinc/97/22/75/577972275.db2.gz KCKCUBRFZYXBKP-DOTOQJQBSA-N 1 2 330.432 2.051 20 30 EEEDLO CN=c1scc(-c2cnn(C)c2)n1[NH+]=Cc1ccc(N(C)C)cc1 ZINC000741158926 578114098 /nfs/dbraw/zinc/11/40/98/578114098.db2.gz QPVQEMIQUYNVKS-UHFFFAOYSA-N 1 2 340.456 2.429 20 30 EEEDLO C=C(C)CN(CC)C(=O)COC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000735958479 578175128 /nfs/dbraw/zinc/17/51/28/578175128.db2.gz JBOIFGOGGVBFJL-INIZCTEOSA-N 1 2 344.455 2.401 20 30 EEEDLO C=C(C)CN(CC)C(=O)COC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000735958479 578175129 /nfs/dbraw/zinc/17/51/29/578175129.db2.gz JBOIFGOGGVBFJL-INIZCTEOSA-N 1 2 344.455 2.401 20 30 EEEDLO C[C@@H](NC(=O)C1=COCCC1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969372675 674905241 /nfs/dbraw/zinc/90/52/41/674905241.db2.gz HCPZTSYQPJSBFO-CYBMUJFWSA-N 1 2 343.402 2.328 20 30 EEEDLO C[C@H](NC(=O)c1ccn(C)c1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969493131 675074231 /nfs/dbraw/zinc/07/42/31/675074231.db2.gz HIQYSHBIXWWOTD-ZDUSSCGKSA-N 1 2 340.402 2.286 20 30 EEEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000969526002 675092085 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2.404 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H](C)C1C[NH+](Cc2snnc2C)C1 ZINC000969841478 675243465 /nfs/dbraw/zinc/24/34/65/675243465.db2.gz JRVZRXRJQLWANI-LBPRGKRZSA-N 1 2 345.472 2.084 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cccc3[nH]c(=O)[nH]c32)C1 ZINC000969850830 675252300 /nfs/dbraw/zinc/25/23/00/675252300.db2.gz DCLRDZWTZGKNBN-JTQLQIEISA-N 1 2 334.807 2.071 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cn(CC(F)F)nc2C)C1 ZINC000969912253 675301754 /nfs/dbraw/zinc/30/17/54/675301754.db2.gz OOHVJJBIFXNKIZ-JTQLQIEISA-N 1 2 346.809 2.259 20 30 EEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001038177553 675561501 /nfs/dbraw/zinc/56/15/01/675561501.db2.gz OPWVTYDSHYYVJE-CVEARBPZSA-N 1 2 327.428 2.303 20 30 EEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001038177553 675561503 /nfs/dbraw/zinc/56/15/03/675561503.db2.gz OPWVTYDSHYYVJE-CVEARBPZSA-N 1 2 327.428 2.303 20 30 EEEDLO C[C@@H](NC(=O)c1cc(F)c[nH]1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970175182 675664274 /nfs/dbraw/zinc/66/42/74/675664274.db2.gz LIIBELOVSZKLCX-LLVKDONJSA-N 1 2 344.365 2.415 20 30 EEEDLO C#Cc1cncc(C(=O)N[C@@H](C)C2C[NH+]([C@H](C)c3ncc(C)o3)C2)c1 ZINC000970397945 675851394 /nfs/dbraw/zinc/85/13/94/675851394.db2.gz IJLMRMSDDYXYJJ-UONOGXRCSA-N 1 2 338.411 2.171 20 30 EEEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC000970934505 676252823 /nfs/dbraw/zinc/25/28/23/676252823.db2.gz SUTYQMIIOFFULD-LLVKDONJSA-N 1 2 347.850 2.079 20 30 EEEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC000970954131 676267558 /nfs/dbraw/zinc/26/75/58/676267558.db2.gz ILBIGJVCLAWTRU-QGZVFWFLSA-N 1 2 338.386 2.439 20 30 EEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC000970954131 676267559 /nfs/dbraw/zinc/26/75/59/676267559.db2.gz ILBIGJVCLAWTRU-QGZVFWFLSA-N 1 2 338.386 2.439 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3coc4ccccc34)C2)C1 ZINC000972699312 679661141 /nfs/dbraw/zinc/66/11/41/679661141.db2.gz CGAKOEVKRDWCIE-FQEVSTJZSA-N 1 2 338.407 2.373 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3coc4ccccc34)C2)C1 ZINC000972699312 679661142 /nfs/dbraw/zinc/66/11/42/679661142.db2.gz CGAKOEVKRDWCIE-FQEVSTJZSA-N 1 2 338.407 2.373 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2c[nH]c(C)cc2=O)C1 ZINC001021707494 676366387 /nfs/dbraw/zinc/36/63/87/676366387.db2.gz UYOLORSUDHZVBD-HOCLYGCPSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2c[nH]c(C)cc2=O)C1 ZINC001021707494 676366389 /nfs/dbraw/zinc/36/63/89/676366389.db2.gz UYOLORSUDHZVBD-HOCLYGCPSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2c[nH]c(C)cc2=O)C1 ZINC001021707493 676366453 /nfs/dbraw/zinc/36/64/53/676366453.db2.gz UYOLORSUDHZVBD-GOEBONIOSA-N 1 2 349.862 2.362 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2c[nH]c(C)cc2=O)C1 ZINC001021707493 676366455 /nfs/dbraw/zinc/36/64/55/676366455.db2.gz UYOLORSUDHZVBD-GOEBONIOSA-N 1 2 349.862 2.362 20 30 EEEDLO 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/nfs/dbraw/zinc/47/07/14/676470714.db2.gz FOZJUAFOEAHQAW-INIZCTEOSA-N 1 2 342.374 2.340 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000971289279 676471343 /nfs/dbraw/zinc/47/13/43/676471343.db2.gz RBFXHPXLFZVGIZ-IGQOVBAYSA-N 1 2 327.266 2.474 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000971289279 676471344 /nfs/dbraw/zinc/47/13/44/676471344.db2.gz RBFXHPXLFZVGIZ-IGQOVBAYSA-N 1 2 327.266 2.474 20 30 EEEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971575026 676629463 /nfs/dbraw/zinc/62/94/63/676629463.db2.gz AQCPKOBZBBNQRM-KGLIPLIRSA-N 1 2 343.324 2.491 20 30 EEEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000971575026 676629466 /nfs/dbraw/zinc/62/94/66/676629466.db2.gz AQCPKOBZBBNQRM-KGLIPLIRSA-N 1 2 343.324 2.491 20 30 EEEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000971575026 676629467 /nfs/dbraw/zinc/62/94/67/676629467.db2.gz AQCPKOBZBBNQRM-KGLIPLIRSA-N 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C=CCn1cccc1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)on2)C1 ZINC000971687707 676738265 /nfs/dbraw/zinc/73/82/65/676738265.db2.gz OYNWNGFOJFLCJK-MRXNPFEDSA-N 1 2 328.416 2.317 20 30 EEEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)on2)C1 ZINC000971687707 676738267 /nfs/dbraw/zinc/73/82/67/676738267.db2.gz OYNWNGFOJFLCJK-MRXNPFEDSA-N 1 2 328.416 2.317 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)CCc2ccon2)C1 ZINC000971942598 677865011 /nfs/dbraw/zinc/86/50/11/677865011.db2.gz FYKOWHNPDCEZGR-CYBMUJFWSA-N 1 2 342.237 2.049 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)CCc2ccon2)C1 ZINC000971942598 677865013 /nfs/dbraw/zinc/86/50/13/677865013.db2.gz FYKOWHNPDCEZGR-CYBMUJFWSA-N 1 2 342.237 2.049 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N2CC[C@H]([N@H+](C)Cc3cc(F)ccc3C#N)C2)O1 ZINC000972382573 678631831 /nfs/dbraw/zinc/63/18/31/678631831.db2.gz IRYNBZVENDQJBA-JEBQAFNWSA-N 1 2 345.418 2.298 20 30 EEEDLO C[C@@H]1CC[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3cc(F)ccc3C#N)C2)O1 ZINC000972382573 678631833 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C[C@H]1C[C@@H]1CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001026007897 683747671 /nfs/dbraw/zinc/74/76/71/683747671.db2.gz KZKZCZTULKDKPI-QOYGFLMSSA-N 1 2 327.403 2.290 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)[C@@H]2C)[nH]n1 ZINC000993083308 683896799 /nfs/dbraw/zinc/89/67/99/683896799.db2.gz DHHNGEXDOGYIQV-RHSMWYFYSA-N 1 2 337.427 2.373 20 30 EEEDLO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)[C@@H]2C)[nH]n1 ZINC000993083308 683896805 /nfs/dbraw/zinc/89/68/05/683896805.db2.gz DHHNGEXDOGYIQV-RHSMWYFYSA-N 1 2 337.427 2.373 20 30 EEEDLO Oc1ccc(/C=N/C[C@H](c2ccccc2)[NH+]2CCOCC2)c(O)c1O ZINC000123107718 684723412 /nfs/dbraw/zinc/72/34/12/684723412.db2.gz WPIRTKWOOAANRC-DDLUMYACSA-N 1 2 342.395 2.296 20 30 EEEDLO CC[C@H](C[NH+]1CCOCC1)Nc1cc(C(F)(F)F)cnc1C#N ZINC000895802164 684730873 /nfs/dbraw/zinc/73/08/73/684730873.db2.gz ZZESZHIQOIIOEX-GFCCVEGCSA-N 1 2 328.338 2.495 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ncn(C(C)(C)C)n2)C(C)(C)C1 ZINC000975039052 686060812 /nfs/dbraw/zinc/06/08/12/686060812.db2.gz NFUHEMYDESPDAA-GFCCVEGCSA-N 1 2 339.871 2.226 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ncn(C(C)(C)C)n2)C(C)(C)C1 ZINC000975039052 686060819 /nfs/dbraw/zinc/06/08/19/686060819.db2.gz NFUHEMYDESPDAA-GFCCVEGCSA-N 1 2 339.871 2.226 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC([N@H+](C)Cc2nncs2)CC1 ZINC000985470523 686970623 /nfs/dbraw/zinc/97/06/23/686970623.db2.gz CJYCZACKAZDWDO-UHFFFAOYSA-N 1 2 345.472 2.262 20 30 EEEDLO C=CCn1cccc1C(=O)N1CCC([N@@H+](C)Cc2nncs2)CC1 ZINC000985470523 686970627 /nfs/dbraw/zinc/97/06/27/686970627.db2.gz CJYCZACKAZDWDO-UHFFFAOYSA-N 1 2 345.472 2.262 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ncnn3CC)[C@H](C)C2)C1 ZINC000947702549 687506901 /nfs/dbraw/zinc/50/69/01/687506901.db2.gz PNDVDBJMRKMMMH-CABCVRRESA-N 1 2 331.464 2.123 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ncnn3CC)[C@H](C)C2)C1 ZINC000947702549 687506906 /nfs/dbraw/zinc/50/69/06/687506906.db2.gz PNDVDBJMRKMMMH-CABCVRRESA-N 1 2 331.464 2.123 20 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ZINC000987143570 689416580 /nfs/dbraw/zinc/41/65/80/689416580.db2.gz AWVPJWSNQTYLEJ-VQIMIIECSA-N 1 2 346.475 2.373 20 30 EEEDLO C=CCCCC(=O)NCC[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001059861343 690398191 /nfs/dbraw/zinc/39/81/91/690398191.db2.gz ICTZEJWNXISVPO-QGZVFWFLSA-N 1 2 346.475 2.374 20 30 EEEDLO C=CC(C)(C)C(=O)NCC[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001059861856 690406025 /nfs/dbraw/zinc/40/60/25/690406025.db2.gz TXYYVADYXMXRSE-INIZCTEOSA-N 1 2 346.475 2.230 20 30 EEEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC2(c3cccc(C#N)c3)CC2)[nH]n1 ZINC000897698153 691745483 /nfs/dbraw/zinc/74/54/83/691745483.db2.gz ORDWJPKQKBTIHS-KRWDZBQOSA-N 1 2 335.411 2.467 20 30 EEEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NC2(c3cccc(C#N)c3)CC2)[nH]n1 ZINC000897698153 691745484 /nfs/dbraw/zinc/74/54/84/691745484.db2.gz ORDWJPKQKBTIHS-KRWDZBQOSA-N 1 2 335.411 2.467 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CN2CCc3ccccc32)CC1 ZINC000989693230 692177946 /nfs/dbraw/zinc/17/79/46/692177946.db2.gz VLETWTYDAIJDIL-UHFFFAOYSA-N 1 2 333.863 2.336 20 30 EEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CN2CCc3ccccc32)CC1 ZINC000989693230 692177952 /nfs/dbraw/zinc/17/79/52/692177952.db2.gz VLETWTYDAIJDIL-UHFFFAOYSA-N 1 2 333.863 2.336 20 30 EEEDLO C=CCC(C)(C)C(=O)NCC[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001060001749 692472820 /nfs/dbraw/zinc/47/28/20/692472820.db2.gz FWURYZDJFOHGLC-INIZCTEOSA-N 1 2 346.475 2.230 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cnc3c(cnn3C)c2)C(C)(C)C1 ZINC000977382018 692566783 /nfs/dbraw/zinc/56/67/83/692566783.db2.gz VONPHIBMQHYGAT-AWEZNQCLSA-N 1 2 347.850 2.161 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cnc3c(cnn3C)c2)C(C)(C)C1 ZINC000977382018 692566784 /nfs/dbraw/zinc/56/67/84/692566784.db2.gz VONPHIBMQHYGAT-AWEZNQCLSA-N 1 2 347.850 2.161 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(Br)n1 ZINC001272718646 1191980807 /nfs/dbraw/zinc/98/08/07/1191980807.db2.gz KSECSYNMXBUXJR-ZIAGYGMSSA-N 1 2 348.244 2.043 20 30 EEEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(Br)n1 ZINC001272718646 1191980809 /nfs/dbraw/zinc/98/08/09/1191980809.db2.gz KSECSYNMXBUXJR-ZIAGYGMSSA-N 1 2 348.244 2.043 20 30 EEEDLO C=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)nn1C)C(F)(F)F ZINC001269004860 1183894269 /nfs/dbraw/zinc/89/42/69/1183894269.db2.gz SKIIWBZINWAPCZ-BETUJISGSA-N 1 2 342.365 2.022 20 30 EEEDLO C=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)nn1C)C(F)(F)F ZINC001269004860 1183894274 /nfs/dbraw/zinc/89/42/74/1183894274.db2.gz SKIIWBZINWAPCZ-BETUJISGSA-N 1 2 342.365 2.022 20 30 EEEDLO Cn1ncc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)c1C1CC1 ZINC001032225253 1193278405 /nfs/dbraw/zinc/27/84/05/1193278405.db2.gz BGCOPELODPMAIZ-UHFFFAOYSA-N 1 2 349.438 2.031 20 30 EEEDLO C=C(C)CN1CC[C@]2(CCCN(C(=O)CCn3cc[nH+]c3)CC2)C1=O ZINC001269581833 1184409848 /nfs/dbraw/zinc/40/98/48/1184409848.db2.gz VWFXWYWMAKNRCY-LJQANCHMSA-N 1 2 344.459 2.081 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC000945072882 1193354677 /nfs/dbraw/zinc/35/46/77/1193354677.db2.gz 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C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnc4cc[nH]c4c3)[C@@H]2C1 ZINC001075928113 1187948373 /nfs/dbraw/zinc/94/83/73/1187948373.db2.gz JCSZDLRFMFMQQF-BLLLJJGKSA-N 1 2 330.819 2.462 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cnc4cc[nH]c4c3)[C@@H]2C1 ZINC001075928113 1187948380 /nfs/dbraw/zinc/94/83/80/1187948380.db2.gz JCSZDLRFMFMQQF-BLLLJJGKSA-N 1 2 330.819 2.462 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc3c2oc(=O)n3C)[C@H]1C ZINC001088620051 1187954586 /nfs/dbraw/zinc/95/45/86/1187954586.db2.gz QQOIYBSVGXEDRH-YPMHNXCESA-N 1 2 349.818 2.077 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc3c2oc(=O)n3C)[C@H]1C ZINC001088620051 1187954590 /nfs/dbraw/zinc/95/45/90/1187954590.db2.gz QQOIYBSVGXEDRH-YPMHNXCESA-N 1 2 349.818 2.077 20 30 EEEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2scnc2C(F)(F)F)[C@H]1C ZINC001088630021 1188016401 /nfs/dbraw/zinc/01/64/01/1188016401.db2.gz GDNWTFKMEANNOQ-ZJUUUORDSA-N 1 2 331.363 2.378 20 30 EEEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2scnc2C(F)(F)F)[C@H]1C ZINC001088630021 1188016402 /nfs/dbraw/zinc/01/64/02/1188016402.db2.gz GDNWTFKMEANNOQ-ZJUUUORDSA-N 1 2 331.363 2.378 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2[nH]nc3c2CCC3)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001088697960 1188297618 /nfs/dbraw/zinc/29/76/18/1188297618.db2.gz UGWIWXJNIRDMAN-DYVFJYSZSA-N 1 2 349.438 2.163 20 30 EEEDLO C[C@@H]1[C@@H](NC(=O)c2[nH]nc3c2CCC3)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088697960 1188297620 /nfs/dbraw/zinc/29/76/20/1188297620.db2.gz UGWIWXJNIRDMAN-DYVFJYSZSA-N 1 2 349.438 2.163 20 30 EEEDLO C#CCO[C@H](C)C(=O)N(CC)[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001126817571 1188447747 /nfs/dbraw/zinc/44/77/47/1188447747.db2.gz BIJQBVATPQDFCH-NVXWUHKLSA-N 1 2 344.459 2.031 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(OC)no3)[C@@H]2C)cc1 ZINC001088786839 1188511139 /nfs/dbraw/zinc/51/11/39/1188511139.db2.gz BVXXFQPZVBJIII-DYVFJYSZSA-N 1 2 339.395 2.057 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cc(OC)no3)[C@@H]2C)cc1 ZINC001088786839 1188511144 /nfs/dbraw/zinc/51/11/44/1188511144.db2.gz BVXXFQPZVBJIII-DYVFJYSZSA-N 1 2 339.395 2.057 20 30 EEEDLO Cc1nocc1C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001076202373 1188780062 /nfs/dbraw/zinc/78/00/62/1188780062.db2.gz GSRHCNAUTOGZET-FUHWJXTLSA-N 1 2 336.395 2.201 20 30 EEEDLO Cc1nocc1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001076202373 1188780067 /nfs/dbraw/zinc/78/00/67/1188780067.db2.gz GSRHCNAUTOGZET-FUHWJXTLSA-N 1 2 336.395 2.201 20 30 EEEDLO CCCN(CCNC(=O)[C@@H](C)C#N)c1nc(C)[nH+]c2c1CCCC2 ZINC001101109198 1188905506 /nfs/dbraw/zinc/90/55/06/1188905506.db2.gz KVLOBJZJIVRGQQ-ZDUSSCGKSA-N 1 2 329.448 2.156 20 30 EEEDLO C=CCN1C(=O)C2(CC[NH+](CC(=O)OCC)CC2)[C@H]1c1ccccc1 ZINC001272889124 1193592302 /nfs/dbraw/zinc/59/23/02/1193592302.db2.gz IPODXYQPDGNKCV-GOSISDBHSA-N 1 2 342.439 2.401 20 30 EEEDLO C=CCC1(C(=O)NCC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001076781796 1189160703 /nfs/dbraw/zinc/16/07/03/1189160703.db2.gz MUXRQXCRHBCGJQ-HNNXBMFYSA-N 1 2 346.475 2.490 20 30 EEEDLO C=CCC(CC=C)C(=O)N[C@@H](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC001077170052 1189371854 /nfs/dbraw/zinc/37/18/54/1189371854.db2.gz VMILYEUUPCVDQQ-INIZCTEOSA-N 1 2 346.475 2.443 20 30 EEEDLO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(F)cc1C#N ZINC001272386369 1190796071 /nfs/dbraw/zinc/79/60/71/1190796071.db2.gz DYKOMJWWEFPTOZ-QZTJIDSGSA-N 1 2 345.418 2.299 20 30 EEEDLO CCOCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(F)cc1C#N ZINC001272386369 1190796072 /nfs/dbraw/zinc/79/60/72/1190796072.db2.gz DYKOMJWWEFPTOZ-QZTJIDSGSA-N 1 2 345.418 2.299 20 30 EEEDLO N#Cc1ccc(C[NH2+]C2(CNC(=O)C(F)C(F)(F)F)CC2)cc1 ZINC001483735875 1190854789 /nfs/dbraw/zinc/85/47/89/1190854789.db2.gz DLQUKZADZGIMTN-LBPRGKRZSA-N 1 2 329.297 2.197 20 30 EEEDLO N#Cc1ccc(C[NH2+]C2(CNC(=O)[C@H](F)C(F)(F)F)CC2)cc1 ZINC001483735875 1190854791 /nfs/dbraw/zinc/85/47/91/1190854791.db2.gz DLQUKZADZGIMTN-LBPRGKRZSA-N 1 2 329.297 2.197 20 30 EEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1scc2c1OCCO2 ZINC001485367841 1191757043 /nfs/dbraw/zinc/75/70/43/1191757043.db2.gz IIINMZSEZCBYEO-JTQLQIEISA-N 1 2 330.837 2.322 20 30 EEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1scc2c1OCCO2 ZINC001485367841 1191757045 /nfs/dbraw/zinc/75/70/45/1191757045.db2.gz IIINMZSEZCBYEO-JTQLQIEISA-N 1 2 330.837 2.322 20 30 EEEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc(OC)c(OC)n2)C1=O ZINC001272978168 1194287074 /nfs/dbraw/zinc/28/70/74/1194287074.db2.gz NOROILZCACLCJX-LJQANCHMSA-N 1 2 345.443 2.242 20 30 EEEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(OC)c(OC)n2)C1=O ZINC001272978168 1194287077 /nfs/dbraw/zinc/28/70/77/1194287077.db2.gz NOROILZCACLCJX-LJQANCHMSA-N 1 2 345.443 2.242 20 30 EEEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(-c3cccs3)on2)C1 ZINC001108107032 1194441065 /nfs/dbraw/zinc/44/10/65/1194441065.db2.gz ORLBPCSWZOGDHP-QGZVFWFLSA-N 1 2 347.440 2.410 20 30 EEEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(-c3cccs3)on2)C1 ZINC001108107032 1194441067 /nfs/dbraw/zinc/44/10/67/1194441067.db2.gz ORLBPCSWZOGDHP-QGZVFWFLSA-N 1 2 347.440 2.410 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3cncn3)c2)C1 ZINC001033406344 1194549900 /nfs/dbraw/zinc/54/99/00/1194549900.db2.gz VMUBJQWEWIMAAZ-MRXNPFEDSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3cncn3)c2)C1 ZINC001033406344 1194549901 /nfs/dbraw/zinc/54/99/01/1194549901.db2.gz VMUBJQWEWIMAAZ-MRXNPFEDSA-N 1 2 345.834 2.166 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c3ccccc3nn2C)C1 ZINC001033557601 1194726786 /nfs/dbraw/zinc/72/67/86/1194726786.db2.gz ILVOOJMCRQVXEG-ZDUSSCGKSA-N 1 2 332.835 2.472 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c3ccccc3nn2C)C1 ZINC001033557601 1194726788 /nfs/dbraw/zinc/72/67/88/1194726788.db2.gz ILVOOJMCRQVXEG-ZDUSSCGKSA-N 1 2 332.835 2.472 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)ns2)C1 ZINC001014732235 1224257240 /nfs/dbraw/zinc/25/72/40/1224257240.db2.gz RONHYUPNLYIUNQ-CYBMUJFWSA-N 1 2 346.456 2.144 20 30 EEEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)ns2)C1 ZINC001014732235 1224257244 /nfs/dbraw/zinc/25/72/44/1224257244.db2.gz RONHYUPNLYIUNQ-CYBMUJFWSA-N 1 2 346.456 2.144 20 30 EEEDLO CCN(C(=O)c1ccon1)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033757155 1195211289 /nfs/dbraw/zinc/21/12/89/1195211289.db2.gz RYLMKJNNQKAAHM-QGZVFWFLSA-N 1 2 341.386 2.402 20 30 EEEDLO CCN(C(=O)c1ccon1)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033757155 1195211294 /nfs/dbraw/zinc/21/12/94/1195211294.db2.gz RYLMKJNNQKAAHM-QGZVFWFLSA-N 1 2 341.386 2.402 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001033957619 1195559490 /nfs/dbraw/zinc/55/94/90/1195559490.db2.gz LYRUPPIDHOSTHM-CYBMUJFWSA-N 1 2 339.871 2.322 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001033957619 1195559494 /nfs/dbraw/zinc/55/94/94/1195559494.db2.gz LYRUPPIDHOSTHM-CYBMUJFWSA-N 1 2 339.871 2.322 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(N(C)C)cn2)C1 ZINC001034050403 1195704819 /nfs/dbraw/zinc/70/48/19/1195704819.db2.gz LMLAJCIUVFZHEQ-OAHLLOKOSA-N 1 2 336.867 2.437 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(N(C)C)cn2)C1 ZINC001034050403 1195704824 /nfs/dbraw/zinc/70/48/24/1195704824.db2.gz LMLAJCIUVFZHEQ-OAHLLOKOSA-N 1 2 336.867 2.437 20 30 EEEDLO C=CCn1cccc1C(=O)N(C)C1CC[NH+](Cc2ncccn2)CC1 ZINC001005512132 1195835836 /nfs/dbraw/zinc/83/58/36/1195835836.db2.gz WREVMMBWSAMTMC-UHFFFAOYSA-N 1 2 339.443 2.201 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](Cc3nccs3)C2)[nH]1 ZINC001034172753 1195897825 /nfs/dbraw/zinc/89/78/25/1195897825.db2.gz OOHCIKISDGOHFC-ZDUSSCGKSA-N 1 2 329.429 2.127 20 30 EEEDLO N#Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](Cc3nccs3)C2)[nH]1 ZINC001034172753 1195897826 /nfs/dbraw/zinc/89/78/26/1195897826.db2.gz OOHCIKISDGOHFC-ZDUSSCGKSA-N 1 2 329.429 2.127 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(F)ccc1OC ZINC001018089187 1224319287 /nfs/dbraw/zinc/31/92/87/1224319287.db2.gz FSIXQJRFOBTXGZ-CALCHBBNSA-N 1 2 330.403 2.075 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(F)ccc1OC ZINC001018089187 1224319293 /nfs/dbraw/zinc/31/92/93/1224319293.db2.gz FSIXQJRFOBTXGZ-CALCHBBNSA-N 1 2 330.403 2.075 20 30 EEEDLO C=C(C)CCC(=O)N(C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001078978423 1196592757 /nfs/dbraw/zinc/59/27/57/1196592757.db2.gz RXXHTFZKUPZCQM-QGZVFWFLSA-N 1 2 346.475 2.469 20 30 EEEDLO CC[C@H](C)N1C(=O)COCC12C[NH+](Cc1ccc(C)c(C#N)c1)C2 ZINC001273213472 1197560569 /nfs/dbraw/zinc/56/05/69/1197560569.db2.gz BZXWLAIYOWLLMR-HNNXBMFYSA-N 1 2 327.428 2.078 20 30 EEEDLO C[C@H]1C[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@]2(CCOC2)O1 ZINC000794700977 1197822210 /nfs/dbraw/zinc/82/22/10/1197822210.db2.gz ISXUCJMBQBNWJW-KXBFYZLASA-N 1 2 338.411 2.259 20 30 EEEDLO C[C@H]1C[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@]2(CCOC2)O1 ZINC000794700977 1197822218 /nfs/dbraw/zinc/82/22/18/1197822218.db2.gz ISXUCJMBQBNWJW-KXBFYZLASA-N 1 2 338.411 2.259 20 30 EEEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(O)ccc1F)C2 ZINC001273284700 1197952496 /nfs/dbraw/zinc/95/24/96/1197952496.db2.gz KJDQTICGHRNKRY-LJQANCHMSA-N 1 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ZINC001014893262 1224504121 /nfs/dbraw/zinc/50/41/21/1224504121.db2.gz WLAQNEAIRPRWNG-ZIAGYGMSSA-N 1 2 337.345 2.433 20 30 EEEDLO CCC(CC)NC(=O)C[N@@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132037708 1199221891 /nfs/dbraw/zinc/22/18/91/1199221891.db2.gz HGCZBWUMMXDWOF-NVXWUHKLSA-N 1 2 349.519 2.310 20 30 EEEDLO CCC(CC)NC(=O)C[N@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132037708 1199221897 /nfs/dbraw/zinc/22/18/97/1199221897.db2.gz HGCZBWUMMXDWOF-NVXWUHKLSA-N 1 2 349.519 2.310 20 30 EEEDLO Cc1nnsc1C[N@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132037910 1199223465 /nfs/dbraw/zinc/22/34/65/1199223465.db2.gz KREIMCZPONCAOX-TZMCWYRMSA-N 1 2 334.489 2.365 20 30 EEEDLO Cc1nnsc1C[N@@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132037910 1199223466 /nfs/dbraw/zinc/22/34/66/1199223466.db2.gz KREIMCZPONCAOX-TZMCWYRMSA-N 1 2 334.489 2.365 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCc2cc(OC)no2)CC[C@H]1C ZINC001132065811 1199278425 /nfs/dbraw/zinc/27/84/25/1199278425.db2.gz YJJQCDOTGRPNOO-OLZOCXBDSA-N 1 2 341.839 2.337 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCc2cc(OC)no2)CC[C@H]1C ZINC001132065811 1199278429 /nfs/dbraw/zinc/27/84/29/1199278429.db2.gz YJJQCDOTGRPNOO-OLZOCXBDSA-N 1 2 341.839 2.337 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001132234123 1199452547 /nfs/dbraw/zinc/45/25/47/1199452547.db2.gz AKAKGOLRFDAPEH-IRXDYDNUSA-N 1 2 342.487 2.492 20 30 EEEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001132234123 1199452549 /nfs/dbraw/zinc/45/25/49/1199452549.db2.gz AKAKGOLRFDAPEH-IRXDYDNUSA-N 1 2 342.487 2.492 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)NCC(C)C)C2)CC1 ZINC001132291384 1199544715 /nfs/dbraw/zinc/54/47/15/1199544715.db2.gz KIHXGSMGMHJQEP-WMZOPIPTSA-N 1 2 349.519 2.474 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)NCC(C)C)C2)CC1 ZINC001132291384 1199544719 /nfs/dbraw/zinc/54/47/19/1199544719.db2.gz KIHXGSMGMHJQEP-WMZOPIPTSA-N 1 2 349.519 2.474 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n(C(C)(C)C)n1 ZINC001018277994 1224559013 /nfs/dbraw/zinc/55/90/13/1224559013.db2.gz WNVPRLYTHRBYMN-IYBDPMFKSA-N 1 2 328.460 2.259 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n(C(C)(C)C)n1 ZINC001018277994 1224559017 /nfs/dbraw/zinc/55/90/17/1224559017.db2.gz WNVPRLYTHRBYMN-IYBDPMFKSA-N 1 2 328.460 2.259 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCCCNC(C)=O)CC[C@H]1C ZINC001132472874 1199761631 /nfs/dbraw/zinc/76/16/31/1199761631.db2.gz NLVPNTBTHZWUKK-ZBFHGGJFSA-N 1 2 343.899 2.405 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCCCNC(C)=O)CC[C@H]1C ZINC001132472874 1199761634 /nfs/dbraw/zinc/76/16/34/1199761634.db2.gz NLVPNTBTHZWUKK-ZBFHGGJFSA-N 1 2 343.899 2.405 20 30 EEEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2onc(CC)c2c1 ZINC001018310560 1224595003 /nfs/dbraw/zinc/59/50/03/1224595003.db2.gz MORLAKVRMFIYFE-OKILXGFUSA-N 1 2 326.400 2.260 20 30 EEEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2onc(CC)c2c1 ZINC001018310560 1224595007 /nfs/dbraw/zinc/59/50/07/1224595007.db2.gz MORLAKVRMFIYFE-OKILXGFUSA-N 1 2 326.400 2.260 20 30 EEEDLO COc1cccc([C@@H]2CN(C(=O)Cc3cccc(C#N)c3)CC[NH2+]2)c1 ZINC000870149971 1200511892 /nfs/dbraw/zinc/51/18/92/1200511892.db2.gz HQDKYRBYWKWQBJ-IBGZPJMESA-N 1 2 335.407 2.282 20 30 EEEDLO COc1cccc([C@@H]2CN(C(=O)C#Cc3cccs3)CC[NH2+]2)c1 ZINC000870152972 1200515096 /nfs/dbraw/zinc/51/50/96/1200515096.db2.gz FGKXWUSOOLMKII-KRWDZBQOSA-N 1 2 326.421 2.281 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[NH+](Cc3cccc(OC)c3)CC2)c1 ZINC000870158769 1200523227 /nfs/dbraw/zinc/52/32/27/1200523227.db2.gz KLBDZUHMKNCIJC-UHFFFAOYSA-N 1 2 335.407 2.030 20 30 EEEDLO CC(C)Oc1ccc(NC(=O)/C=C\C[NH+]2CCOCC2)cc1C#N ZINC000866829467 1201613857 /nfs/dbraw/zinc/61/38/57/1201613857.db2.gz VCTQMTVQYDSIET-ARJAWSKDSA-N 1 2 329.400 2.172 20 30 EEEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CN(c2cc[nH+]c(C)n2)CC1(C)C ZINC001114441829 1201962513 /nfs/dbraw/zinc/96/25/13/1201962513.db2.gz VBBPJJMSOSPDIM-UKRRQHHQSA-N 1 2 332.448 2.097 20 30 EEEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)c(C)n1)C2 ZINC001273992376 1202287763 /nfs/dbraw/zinc/28/77/63/1202287763.db2.gz GWSDGZJGRGRZCN-GOSISDBHSA-N 1 2 349.862 2.280 20 30 EEEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)c(C)n1)C2 ZINC001273992376 1202287765 /nfs/dbraw/zinc/28/77/65/1202287765.db2.gz GWSDGZJGRGRZCN-GOSISDBHSA-N 1 2 349.862 2.280 20 30 EEEDLO C#CCN1CCC2(CC[NH+](Cc3c(F)ccc(O)c3F)CC2)C1=O ZINC001274167465 1204427600 /nfs/dbraw/zinc/42/76/00/1204427600.db2.gz DXVCJQUNTZEPRL-UHFFFAOYSA-N 1 2 334.366 2.118 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)c1 ZINC000826589537 1204511498 /nfs/dbraw/zinc/51/14/98/1204511498.db2.gz JWYODOQXFDFQSW-HXUWFJFHSA-N 1 2 349.434 2.002 20 30 EEEDLO C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)c1 ZINC000826589537 1204511502 /nfs/dbraw/zinc/51/15/02/1204511502.db2.gz JWYODOQXFDFQSW-HXUWFJFHSA-N 1 2 349.434 2.002 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@](C)(CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001110848628 1204919168 /nfs/dbraw/zinc/91/91/68/1204919168.db2.gz MFSAORUFCKQAEB-SFHVURJKSA-N 1 2 346.479 2.253 20 30 EEEDLO C=CCN1C(=O)COCC12C[NH+](Cc1cccc(C)c1OC(C)C)C2 ZINC001274546421 1205075499 /nfs/dbraw/zinc/07/54/99/1205075499.db2.gz CYFKNPBIRLSLEQ-UHFFFAOYSA-N 1 2 344.455 2.381 20 30 EEEDLO C#CCN1CC2(CCC1=O)CC[NH+](Cc1cc(C#N)ccc1O)CC2 ZINC001274667174 1205123591 /nfs/dbraw/zinc/12/35/91/1205123591.db2.gz LFVSZEXHFBNEAG-UHFFFAOYSA-N 1 2 337.423 2.102 20 30 EEEDLO C#CCN1C[C@@]2(CC1=O)CCCCN2c1nc(NC(C)C)c(C)c[nH+]1 ZINC001274726004 1205144299 /nfs/dbraw/zinc/14/42/99/1205144299.db2.gz IMNBHRIJFLTIAV-IBGZPJMESA-N 1 2 341.459 2.200 20 30 EEEDLO Cc1nc(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)sc1C ZINC001275082030 1205250932 /nfs/dbraw/zinc/25/09/32/1205250932.db2.gz QXOHYKLHJXKFFH-UHFFFAOYSA-N 1 2 341.484 2.288 20 30 EEEDLO C=C(Cl)Cn1c(CC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001411645941 1205471038 /nfs/dbraw/zinc/47/10/38/1205471038.db2.gz MHWNDNJNRYCCHC-UHFFFAOYSA-N 1 2 347.854 2.018 20 30 EEEDLO C=CCN(CCc1ccco1)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000925596589 1206134028 /nfs/dbraw/zinc/13/40/28/1206134028.db2.gz XFEPROIGLSALQV-MRXNPFEDSA-N 1 2 335.448 2.131 20 30 EEEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c1 ZINC000929489450 1206480337 /nfs/dbraw/zinc/48/03/37/1206480337.db2.gz SBEBSZKJNACQRW-QGZVFWFLSA-N 1 2 347.846 2.425 20 30 EEEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c1 ZINC000929489450 1206480338 /nfs/dbraw/zinc/48/03/38/1206480338.db2.gz SBEBSZKJNACQRW-QGZVFWFLSA-N 1 2 347.846 2.425 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCc1ccncc1)C2 ZINC001111186659 1208337730 /nfs/dbraw/zinc/33/77/30/1208337730.db2.gz VHAJZLGSKMAMSZ-OAGGEKHMSA-N 1 2 335.835 2.072 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCc1ccncc1)C2 ZINC001111186659 1208337733 /nfs/dbraw/zinc/33/77/33/1208337733.db2.gz VHAJZLGSKMAMSZ-OAGGEKHMSA-N 1 2 335.835 2.072 20 30 EEEDLO CCc1cnc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C[C@@H]2C)o1 ZINC000947174281 1208404125 /nfs/dbraw/zinc/40/41/25/1208404125.db2.gz IJQKNMVZPAOTJM-GXTWGEPZSA-N 1 2 341.415 2.220 20 30 EEEDLO CCc1cnc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C[C@@H]2C)o1 ZINC000947174281 1208404127 /nfs/dbraw/zinc/40/41/27/1208404127.db2.gz IJQKNMVZPAOTJM-GXTWGEPZSA-N 1 2 341.415 2.220 20 30 EEEDLO C#CCCCCC(=O)N(C)CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001067235837 1225064932 /nfs/dbraw/zinc/06/49/32/1225064932.db2.gz OHJABHAGUIVKHK-KRWDZBQOSA-N 1 2 346.475 2.335 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C[C@@H]1C ZINC000947891869 1208764114 /nfs/dbraw/zinc/76/41/14/1208764114.db2.gz WRPGHIZOVJMLFK-WMLDXEAASA-N 1 2 337.427 2.078 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C[C@@H]1C ZINC000947891869 1208764115 /nfs/dbraw/zinc/76/41/15/1208764115.db2.gz WRPGHIZOVJMLFK-WMLDXEAASA-N 1 2 337.427 2.078 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2cccn2cn1 ZINC000948929914 1209458567 /nfs/dbraw/zinc/45/85/67/1209458567.db2.gz VBBITZVWHLBKCI-FQEVSTJZSA-N 1 2 344.418 2.297 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2cccn2cn1 ZINC000948929914 1209458569 /nfs/dbraw/zinc/45/85/69/1209458569.db2.gz VBBITZVWHLBKCI-FQEVSTJZSA-N 1 2 344.418 2.297 20 30 EEEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccnc(OCC)c1 ZINC000948957836 1209473954 /nfs/dbraw/zinc/47/39/54/1209473954.db2.gz JMJWXPWJITZUHQ-LJQANCHMSA-N 1 2 349.434 2.443 20 30 EEEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccnc(OCC)c1 ZINC000948957836 1209473957 /nfs/dbraw/zinc/47/39/57/1209473957.db2.gz JMJWXPWJITZUHQ-LJQANCHMSA-N 1 2 349.434 2.443 20 30 EEEDLO CC(C)C(=O)N1CCC2(CC1)C[N@H+](CC#Cc1ccccc1)CCO2 ZINC000949300708 1209616800 /nfs/dbraw/zinc/61/68/00/1209616800.db2.gz DCHFAIRQKXKQAD-UHFFFAOYSA-N 1 2 340.467 2.388 20 30 EEEDLO CC(C)C(=O)N1CCC2(CC1)C[N@@H+](CC#Cc1ccccc1)CCO2 ZINC000949300708 1209616801 /nfs/dbraw/zinc/61/68/01/1209616801.db2.gz DCHFAIRQKXKQAD-UHFFFAOYSA-N 1 2 340.467 2.388 20 30 EEEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)c3ccccc3)CC2)C1 ZINC000949515490 1209723373 /nfs/dbraw/zinc/72/33/73/1209723373.db2.gz URENDRJAJRWUQH-QGZVFWFLSA-N 1 2 326.440 2.117 20 30 EEEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)c3ccccc3)CC2)C1 ZINC000949515490 1209723376 /nfs/dbraw/zinc/72/33/76/1209723376.db2.gz URENDRJAJRWUQH-QGZVFWFLSA-N 1 2 326.440 2.117 20 30 EEEDLO C[C@@H]1CC[C@@H](CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000950023679 1209986192 /nfs/dbraw/zinc/98/61/92/1209986192.db2.gz VXCQJWJWZFBOTC-QAPCUYQASA-N 1 2 327.428 2.160 20 30 EEEDLO C[C@@H]1C[C@H]1CC(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000950032797 1209990813 /nfs/dbraw/zinc/99/08/13/1209990813.db2.gz BKKRTFZSKUSXFB-WBVHZDCISA-N 1 2 327.428 2.279 20 30 EEEDLO CC(C)n1cnc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001015388033 1225182778 /nfs/dbraw/zinc/18/27/78/1225182778.db2.gz FMTGLRZNZTYKEQ-ZDUSSCGKSA-N 1 2 343.456 2.401 20 30 EEEDLO CC(C)n1cnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001015388033 1225182780 /nfs/dbraw/zinc/18/27/80/1225182780.db2.gz FMTGLRZNZTYKEQ-ZDUSSCGKSA-N 1 2 343.456 2.401 20 30 EEEDLO C#Cc1cncc(C(=O)N2CC[NH+](CCOc3ccc(C)cc3)CC2)c1 ZINC000950411223 1210196126 /nfs/dbraw/zinc/19/61/26/1210196126.db2.gz QKXWADIQNOIHHF-UHFFFAOYSA-N 1 2 349.434 2.208 20 30 EEEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC000950902155 1210494193 /nfs/dbraw/zinc/49/41/93/1210494193.db2.gz SXQOCVQBMHFBNT-UXHICEINSA-N 1 2 340.467 2.333 20 30 EEEDLO C=CCC(C)(C)C(=O)NC[C@@H]1COCCN1c1cc(C)[nH+]c(CC)n1 ZINC001111722900 1210936633 /nfs/dbraw/zinc/93/66/33/1210936633.db2.gz SEYZTEMDTHOOJW-OAHLLOKOSA-N 1 2 346.475 2.271 20 30 EEEDLO CCN(CCCNC(=O)[C@@H](C)C#N)c1nc(C)[nH+]c2c1CCCC2 ZINC001095848198 1211298945 /nfs/dbraw/zinc/29/89/45/1211298945.db2.gz GJPJKGIFKXDXKW-ZDUSSCGKSA-N 1 2 329.448 2.156 20 30 EEEDLO C=CCn1cc(C(=O)N(CC)C2C[NH+](Cc3ccccc3C)C2)nn1 ZINC000952422417 1211414248 /nfs/dbraw/zinc/41/42/48/1211414248.db2.gz DQSHZOQAENHLPW-UHFFFAOYSA-N 1 2 339.443 2.119 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1[nH]cc[nH+]1 ZINC000952759537 1211570452 /nfs/dbraw/zinc/57/04/52/1211570452.db2.gz MQZBFYSXICACJW-GASCZTMLSA-N 1 2 344.459 2.146 20 30 EEEDLO C=C1CCC(C(=O)N2CC[NH+]([C@H]3CCN(C(=O)C(C)C)C3)CC2)CC1 ZINC000956603967 1214125489 /nfs/dbraw/zinc/12/54/89/1214125489.db2.gz AQLQCFTZQRQANP-SFHVURJKSA-N 1 2 347.503 2.134 20 30 EEEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC(C)C)C2)CC1 ZINC000956606842 1214128783 /nfs/dbraw/zinc/12/87/83/1214128783.db2.gz VJSQLKPLPOFIOP-XLIONFOSSA-N 1 2 349.519 2.380 20 30 EEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC(=O)N([C@@H](C)CCC)C2)C1 ZINC000957422200 1215114839 /nfs/dbraw/zinc/11/48/39/1215114839.db2.gz NOXOIKOVWPBBPL-HOTGVXAUSA-N 1 2 335.492 2.132 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC2(CC1)CC[NH+]([C@H](C)c1csnn1)CC2 ZINC000957520363 1215183303 /nfs/dbraw/zinc/18/33/03/1215183303.db2.gz RSRHIKWMJYROBQ-ZIAGYGMSSA-N 1 2 347.488 2.463 20 30 EEEDLO C[C@H](C#N)C(=O)N1CCC2(CC1)CC[NH+]([C@@H](C)c1csnn1)CC2 ZINC000957520361 1215183630 /nfs/dbraw/zinc/18/36/30/1215183630.db2.gz RSRHIKWMJYROBQ-KGLIPLIRSA-N 1 2 347.488 2.463 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)[nH]1 ZINC001015721297 1225593200 /nfs/dbraw/zinc/59/32/00/1225593200.db2.gz FUHGPIOMPKWINS-KRWDZBQOSA-N 1 2 340.402 2.021 20 30 EEEDLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)[nH]1 ZINC001015721297 1225593202 /nfs/dbraw/zinc/59/32/02/1225593202.db2.gz FUHGPIOMPKWINS-KRWDZBQOSA-N 1 2 340.402 2.021 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@H]2O)CC1 ZINC000958370551 1215685336 /nfs/dbraw/zinc/68/53/36/1215685336.db2.gz RULKMLLDMYFQJV-YJKKSXDHSA-N 1 2 347.286 2.461 20 30 EEEDLO C=C1CCC(C(=O)NC[C@@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]2O)CC1 ZINC000958370551 1215685337 /nfs/dbraw/zinc/68/53/37/1215685337.db2.gz RULKMLLDMYFQJV-YJKKSXDHSA-N 1 2 347.286 2.461 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2c(F)cccc2Cl)[C@H](O)C1 ZINC000958614884 1215797143 /nfs/dbraw/zinc/79/71/43/1215797143.db2.gz YLFITANZGKJJSG-ZWNOBZJWSA-N 1 2 347.217 2.254 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2c(F)cccc2Cl)[C@H](O)C1 ZINC000958614884 1215797145 /nfs/dbraw/zinc/79/71/45/1215797145.db2.gz YLFITANZGKJJSG-ZWNOBZJWSA-N 1 2 347.217 2.254 20 30 EEEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(c3cc(C)no3)CC1)C2 ZINC001095914423 1216106855 /nfs/dbraw/zinc/10/68/55/1216106855.db2.gz GBWZMRVBXJEEKX-RDBSUJKOSA-N 1 2 335.835 2.489 20 30 EEEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(c3cc(C)no3)CC1)C2 ZINC001095914423 1216106859 /nfs/dbraw/zinc/10/68/59/1216106859.db2.gz GBWZMRVBXJEEKX-RDBSUJKOSA-N 1 2 335.835 2.489 20 30 EEEDLO C[N@@H+](Cc1nccs1)C[C@H]1CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC000960563249 1216686423 /nfs/dbraw/zinc/68/64/23/1216686423.db2.gz JGYWDFQEJYNDOB-CYBMUJFWSA-N 1 2 329.429 2.079 20 30 EEEDLO C[N@H+](Cc1nccs1)C[C@H]1CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC000960563249 1216686427 /nfs/dbraw/zinc/68/64/27/1216686427.db2.gz JGYWDFQEJYNDOB-CYBMUJFWSA-N 1 2 329.429 2.079 20 30 EEEDLO Cc1csc(C[N@H+](C)C[C@@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)n1 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ZINC001016435303 1226477461 /nfs/dbraw/zinc/47/74/61/1226477461.db2.gz FFWHXTYKZVZSHT-ZWKOTPCHSA-N 1 2 339.439 2.065 20 30 EEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC23CCOCC3)C1 ZINC001016435303 1226477465 /nfs/dbraw/zinc/47/74/65/1226477465.db2.gz FFWHXTYKZVZSHT-ZWKOTPCHSA-N 1 2 339.439 2.065 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H](C[N@H+](C)Cc2ncnn2C)C1 ZINC001017201295 1227222579 /nfs/dbraw/zinc/22/25/79/1227222579.db2.gz GXFVRQFLDPXOKC-CRAIPNDOSA-N 1 2 333.480 2.088 20 30 EEEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ncnn2C)C1 ZINC001017201295 1227222583 /nfs/dbraw/zinc/22/25/83/1227222583.db2.gz GXFVRQFLDPXOKC-CRAIPNDOSA-N 1 2 333.480 2.088 20 30 EEEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(C)(C)C(C)C)C1=O ZINC001017582709 1227545804 /nfs/dbraw/zinc/54/58/04/1227545804.db2.gz ABBGBJCOLWJVBW-IXDOHACOSA-N 1 2 347.503 2.131 20 30 EEEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(C)(C)C(C)C)C1=O ZINC001017582709 1227545808 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NAMJJLVSFNLJDN-SCTDSRPQSA-N 1 2 337.467 2.309 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCN(C)c2ccccc21 ZINC001017628493 1227584680 /nfs/dbraw/zinc/58/46/80/1227584680.db2.gz NAMJJLVSFNLJDN-SCTDSRPQSA-N 1 2 337.467 2.309 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n([C@@H](C)CC)n1 ZINC001017692112 1227642980 /nfs/dbraw/zinc/64/29/80/1227642980.db2.gz YLYHIVJLLAGKQN-BHYGNILZSA-N 1 2 328.460 2.475 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n([C@@H](C)CC)n1 ZINC001017692112 1227642985 /nfs/dbraw/zinc/64/29/85/1227642985.db2.gz YLYHIVJLLAGKQN-BHYGNILZSA-N 1 2 328.460 2.475 20 30 EEEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC001017691960 1227643396 /nfs/dbraw/zinc/64/33/96/1227643396.db2.gz WCHQQRKXFXRHPX-OIISXLGYSA-N 1 2 326.444 2.085 20 30 EEEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC001017691960 1227643404 /nfs/dbraw/zinc/64/34/04/1227643404.db2.gz WCHQQRKXFXRHPX-OIISXLGYSA-N 1 2 326.444 2.085 20 30 EEEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001054682975 1248856149 /nfs/dbraw/zinc/85/61/49/1248856149.db2.gz YTOGWRYRXOFVGJ-SKDRFNHKSA-N 1 2 326.828 2.093 20 30 EEEDLO CC(C)c1cnc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001018747744 1228363895 /nfs/dbraw/zinc/36/38/95/1228363895.db2.gz LUWVDEZSGUMJCV-ZDUSSCGKSA-N 1 2 327.388 2.002 20 30 EEEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCCc2n[nH]cc21 ZINC001038247507 1229702437 /nfs/dbraw/zinc/70/24/37/1229702437.db2.gz UVCWFUOKLYWZDD-ROUUACIJSA-N 1 2 348.450 2.072 20 30 EEEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCCc2n[nH]cc21 ZINC001038247507 1229702438 /nfs/dbraw/zinc/70/24/38/1229702438.db2.gz UVCWFUOKLYWZDD-ROUUACIJSA-N 1 2 348.450 2.072 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cc(C)ns1 ZINC001038266144 1229712783 /nfs/dbraw/zinc/71/27/83/1229712783.db2.gz KANLVCRIDXMMLB-IMJJTQAJSA-N 1 2 335.473 2.123 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(C)ns1 ZINC001038266144 1229712785 /nfs/dbraw/zinc/71/27/85/1229712785.db2.gz KANLVCRIDXMMLB-IMJJTQAJSA-N 1 2 335.473 2.123 20 30 EEEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnc3ccccn23)c1 ZINC001038435790 1229818631 /nfs/dbraw/zinc/81/86/31/1229818631.db2.gz CIMDKWVMHKDUOQ-KRWDZBQOSA-N 1 2 345.406 2.210 20 30 EEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnc3ccccn23)c1 ZINC001038435790 1229818632 /nfs/dbraw/zinc/81/86/32/1229818632.db2.gz CIMDKWVMHKDUOQ-KRWDZBQOSA-N 1 2 345.406 2.210 20 30 EEEDLO CCCc1n[nH]cc1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001038437086 1229818888 /nfs/dbraw/zinc/81/88/88/1229818888.db2.gz DMFJNWAPNWZHKB-MRXNPFEDSA-N 1 2 337.427 2.238 20 30 EEEDLO CCCc1n[nH]cc1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001038437086 1229818893 /nfs/dbraw/zinc/81/88/93/1229818893.db2.gz DMFJNWAPNWZHKB-MRXNPFEDSA-N 1 2 337.427 2.238 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2n[nH]c3c2CCCC3)cc1 ZINC001038449484 1229833539 /nfs/dbraw/zinc/83/35/39/1229833539.db2.gz JKUJYNVSPNJQNX-INIZCTEOSA-N 1 2 349.438 2.164 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2n[nH]c3c2CCCC3)cc1 ZINC001038449484 1229833542 /nfs/dbraw/zinc/83/35/42/1229833542.db2.gz JKUJYNVSPNJQNX-INIZCTEOSA-N 1 2 349.438 2.164 20 30 EEEDLO COCc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)o1 ZINC001038480510 1229861225 /nfs/dbraw/zinc/86/12/25/1229861225.db2.gz IKRUBROZSZCIEP-MRXNPFEDSA-N 1 2 339.395 2.302 20 30 EEEDLO COCc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)o1 ZINC001038480510 1229861227 /nfs/dbraw/zinc/86/12/27/1229861227.db2.gz IKRUBROZSZCIEP-MRXNPFEDSA-N 1 2 339.395 2.302 20 30 EEEDLO Cc1nc(NC2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)ccc1C#N ZINC001067269632 1230042685 /nfs/dbraw/zinc/04/26/85/1230042685.db2.gz LUEWXVZJVBZHEM-UHFFFAOYSA-N 1 2 338.415 2.021 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(Cl)c2)nn1 ZINC001038791149 1230060438 /nfs/dbraw/zinc/06/04/38/1230060438.db2.gz OQFXWIOVFBEVOR-OAHLLOKOSA-N 1 2 345.834 2.122 20 30 EEEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(Cl)c2)nn1 ZINC001038791149 1230060444 /nfs/dbraw/zinc/06/04/44/1230060444.db2.gz OQFXWIOVFBEVOR-OAHLLOKOSA-N 1 2 345.834 2.122 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnoc2C2CC2)cc1 ZINC001038876802 1230128074 /nfs/dbraw/zinc/12/80/74/1230128074.db2.gz OBZZXEZELCPMIP-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnoc2C2CC2)cc1 ZINC001038876802 1230128079 /nfs/dbraw/zinc/12/80/79/1230128079.db2.gz OBZZXEZELCPMIP-INIZCTEOSA-N 1 2 336.395 2.428 20 30 EEEDLO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1scnc1C(F)(F)F ZINC001039388022 1230572713 /nfs/dbraw/zinc/57/27/13/1230572713.db2.gz WDVHVECNGFTPIZ-MNOVXSKESA-N 1 2 343.374 2.474 20 30 EEEDLO C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1scnc1C(F)(F)F ZINC001039388022 1230572716 /nfs/dbraw/zinc/57/27/16/1230572716.db2.gz WDVHVECNGFTPIZ-MNOVXSKESA-N 1 2 343.374 2.474 20 30 EEEDLO C=CCC(C)(C)C(=O)N(C)CCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001067299926 1230671594 /nfs/dbraw/zinc/67/15/94/1230671594.db2.gz QLVSPAPHODQYQQ-UHFFFAOYSA-N 1 2 334.464 2.252 20 30 EEEDLO C=C1CCC(C(=O)NC[C@H]2CN(c3cc[nH+]c(C)n3)CCCO2)CC1 ZINC001039922853 1230908680 /nfs/dbraw/zinc/90/86/80/1230908680.db2.gz QXOFCDVFRDWMTJ-KRWDZBQOSA-N 1 2 344.459 2.243 20 30 EEEDLO CCN(CCCNC(=O)c1cccc2[nH+]ccn21)c1ncccc1C#N ZINC001095935226 1231362884 /nfs/dbraw/zinc/36/28/84/1231362884.db2.gz CYWGDRQDADXLEQ-UHFFFAOYSA-N 1 2 348.410 2.247 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC2(C1)CC[NH+](Cc1nncn1C)CC2 ZINC001040797665 1231371762 /nfs/dbraw/zinc/37/17/62/1231371762.db2.gz CYMCIUFCVRPWEM-UHFFFAOYSA-N 1 2 345.491 2.232 20 30 EEEDLO C=CC(C)(C)C(=O)N1CCC2(C1)CC[NH+](Cc1ncnn1CC)CC2 ZINC001040802603 1231373262 /nfs/dbraw/zinc/37/32/62/1231373262.db2.gz QLAXJEZFDITZGC-UHFFFAOYSA-N 1 2 345.491 2.325 20 30 EEEDLO C=CC(C)(C)CC(=O)N(C)CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001067500225 1249144871 /nfs/dbraw/zinc/14/48/71/1249144871.db2.gz NQWDMAURLLQTJX-UHFFFAOYSA-N 1 2 348.491 2.262 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(CC[N@H+](Cc4nncs4)C3)C2)C1 ZINC001041658191 1231640108 /nfs/dbraw/zinc/64/01/08/1231640108.db2.gz WLHVMGBHNVCMBO-QGZVFWFLSA-N 1 2 332.473 2.319 20 30 EEEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4nncs4)C3)C2)C1 ZINC001041658191 1231640111 /nfs/dbraw/zinc/64/01/11/1231640111.db2.gz WLHVMGBHNVCMBO-QGZVFWFLSA-N 1 2 332.473 2.319 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@@H]2CC[N@H+](Cc3ncc(C4CC4)o3)[C@@H]2C1 ZINC001042057792 1231859580 /nfs/dbraw/zinc/85/95/80/1231859580.db2.gz MWEBAGJTULLIBS-DOTOQJQBSA-N 1 2 339.439 2.388 20 30 EEEDLO O=C(C#CC1CC1)N1CC[C@@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)[C@@H]2C1 ZINC001042057792 1231859582 /nfs/dbraw/zinc/85/95/82/1231859582.db2.gz MWEBAGJTULLIBS-DOTOQJQBSA-N 1 2 339.439 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3coc(OCC)n3)C[C@@H]21 ZINC001042134769 1231910675 /nfs/dbraw/zinc/91/06/75/1231910675.db2.gz QJDHWGUZHZDWKE-OCCSQVGLSA-N 1 2 339.823 2.362 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3coc(OCC)n3)C[C@@H]21 ZINC001042134769 1231910676 /nfs/dbraw/zinc/91/06/76/1231910676.db2.gz QJDHWGUZHZDWKE-OCCSQVGLSA-N 1 2 339.823 2.362 20 30 EEEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](CCOC2CCCCCC2)C1 ZINC001042631109 1232125692 /nfs/dbraw/zinc/12/56/92/1232125692.db2.gz UXDUKUKWQJVJAO-UHFFFAOYSA-N 1 2 344.459 2.382 20 30 EEEDLO COc1ccc(C[NH+]2CC(N(C)C(=O)c3c[nH]c(C#N)c3)C2)cc1C ZINC001042638474 1232126834 /nfs/dbraw/zinc/12/68/34/1232126834.db2.gz JSLSJXCBSUDUDS-UHFFFAOYSA-N 1 2 338.411 2.160 20 30 EEEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](CCc3ccccc3F)C2)nc1 ZINC001044203868 1232785997 /nfs/dbraw/zinc/78/59/97/1232785997.db2.gz XJFGXMUKXOUXQS-UHFFFAOYSA-N 1 2 337.398 2.201 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nccn2C)cc1 ZINC001045824215 1234038299 /nfs/dbraw/zinc/03/82/99/1234038299.db2.gz ZXRBSSYSJUWMLX-MOPGFXCFSA-N 1 2 348.450 2.281 20 30 EEEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2nccn2C)cc1 ZINC001045824215 1234038301 /nfs/dbraw/zinc/03/83/01/1234038301.db2.gz ZXRBSSYSJUWMLX-MOPGFXCFSA-N 1 2 348.450 2.281 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnn(CC)n1 ZINC001045827984 1234042528 /nfs/dbraw/zinc/04/25/28/1234042528.db2.gz YYACRIUYXXYIBL-CVEARBPZSA-N 1 2 331.464 2.076 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnn(CC)n1 ZINC001045827984 1234042531 /nfs/dbraw/zinc/04/25/31/1234042531.db2.gz YYACRIUYXXYIBL-CVEARBPZSA-N 1 2 331.464 2.076 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)c2cccn2C)C1 ZINC001046150311 1234492342 /nfs/dbraw/zinc/49/23/42/1234492342.db2.gz SOBMMXRCTJFZFO-AWEZNQCLSA-N 1 2 326.238 2.128 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)c2cccn2C)C1 ZINC001046150311 1234492345 /nfs/dbraw/zinc/49/23/45/1234492345.db2.gz SOBMMXRCTJFZFO-AWEZNQCLSA-N 1 2 326.238 2.128 20 30 EEEDLO Cc1nc(C[N@@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)c(C)s1 ZINC001046224928 1234571572 /nfs/dbraw/zinc/57/15/72/1234571572.db2.gz WJAYIEYKPHSSDY-QGZVFWFLSA-N 1 2 343.456 2.354 20 30 EEEDLO Cc1nc(C[N@H+]2CC[C@@](C)(NC(=O)c3cc(C#N)c[nH]3)C2)c(C)s1 ZINC001046224928 1234571575 /nfs/dbraw/zinc/57/15/75/1234571575.db2.gz WJAYIEYKPHSSDY-QGZVFWFLSA-N 1 2 343.456 2.354 20 30 EEEDLO C[C@]1(NC(=O)c2ccns2)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046355373 1234699349 /nfs/dbraw/zinc/69/93/49/1234699349.db2.gz HCKWMAITSADWHK-HNNXBMFYSA-N 1 2 332.454 2.471 20 30 EEEDLO C[C@]1(NC(=O)c2ccns2)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001046355373 1234699351 /nfs/dbraw/zinc/69/93/51/1234699351.db2.gz HCKWMAITSADWHK-HNNXBMFYSA-N 1 2 332.454 2.471 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cnc3onc(C)c3c2)C1 ZINC001046528626 1234909470 /nfs/dbraw/zinc/90/94/70/1234909470.db2.gz QSPPHEVZPQZIJV-MRXNPFEDSA-N 1 2 334.807 2.478 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnc3onc(C)c3c2)C1 ZINC001046528626 1234909473 /nfs/dbraw/zinc/90/94/73/1234909473.db2.gz QSPPHEVZPQZIJV-MRXNPFEDSA-N 1 2 334.807 2.478 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H](C)c3nnc(C)o3)C2)cc1 ZINC001046533715 1234915506 /nfs/dbraw/zinc/91/55/06/1234915506.db2.gz VHEHLHPJUXPLJK-DJJJIMSYSA-N 1 2 338.411 2.315 20 30 EEEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)c3nnc(C)o3)C2)cc1 ZINC001046533715 1234915509 /nfs/dbraw/zinc/91/55/09/1234915509.db2.gz VHEHLHPJUXPLJK-DJJJIMSYSA-N 1 2 338.411 2.315 20 30 EEEDLO Cc1cnoc1C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046739457 1235133162 /nfs/dbraw/zinc/13/31/62/1235133162.db2.gz OESAZHSHZRDTPE-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO Cc1cnoc1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001046739457 1235133164 /nfs/dbraw/zinc/13/31/64/1235133164.db2.gz OESAZHSHZRDTPE-GOSISDBHSA-N 1 2 342.374 2.388 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001046831967 1235229922 /nfs/dbraw/zinc/22/99/22/1235229922.db2.gz TVRLZVBKSIIXLH-KRWDZBQOSA-N 1 2 346.818 2.282 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001046831967 1235229925 /nfs/dbraw/zinc/22/99/25/1235229925.db2.gz TVRLZVBKSIIXLH-KRWDZBQOSA-N 1 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C=C[C@@H](C)[C@@H](C)C(=O)N(C)CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001067832593 1249725525 /nfs/dbraw/zinc/72/55/25/1249725525.db2.gz GCLDQQNVZIFSCG-HUUCEWRRSA-N 1 2 348.491 2.452 20 30 EEEDLO C=C(C)CCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001056371627 1239270299 /nfs/dbraw/zinc/27/02/99/1239270299.db2.gz ZNMVHFQKAFHRKU-JKSUJKDBSA-N 1 2 344.459 2.291 20 30 EEEDLO CC(C)n1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@H](C)C#N)n1 ZINC001049372695 1240710771 /nfs/dbraw/zinc/71/07/71/1240710771.db2.gz NCSICRDLQHKUPG-HYVNUMGLSA-N 1 2 329.448 2.189 20 30 EEEDLO CC(C)n1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@H](C)C#N)n1 ZINC001049372695 1240710775 /nfs/dbraw/zinc/71/07/75/1240710775.db2.gz NCSICRDLQHKUPG-HYVNUMGLSA-N 1 2 329.448 2.189 20 30 EEEDLO C#CCCCCCC(=O)N(C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001067881806 1249869386 /nfs/dbraw/zinc/86/93/86/1249869386.db2.gz YIGBQHIHVYJBNU-UHFFFAOYSA-N 1 2 346.475 2.151 20 30 EEEDLO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC001049518359 1241213091 /nfs/dbraw/zinc/21/30/91/1241213091.db2.gz MYQDMNPWEVCOIQ-ZWKOTPCHSA-N 1 2 339.443 2.280 20 30 EEEDLO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC001049518359 1241213105 /nfs/dbraw/zinc/21/31/05/1241213105.db2.gz MYQDMNPWEVCOIQ-ZWKOTPCHSA-N 1 2 339.443 2.280 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ncccn2)cc1 ZINC001049628901 1241697641 /nfs/dbraw/zinc/69/76/41/1241697641.db2.gz DOJXBMAFOFOIRX-MOPGFXCFSA-N 1 2 346.434 2.337 20 30 EEEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3Cc2ncccn2)cc1 ZINC001049628901 1241697650 /nfs/dbraw/zinc/69/76/50/1241697650.db2.gz DOJXBMAFOFOIRX-MOPGFXCFSA-N 1 2 346.434 2.337 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cnn(CC)n1 ZINC001049635968 1241720552 /nfs/dbraw/zinc/72/05/52/1241720552.db2.gz XKCFPKKLHINVTQ-SJORKVTESA-N 1 2 345.491 2.466 20 30 EEEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cnn(CC)n1 ZINC001049635968 1241720553 /nfs/dbraw/zinc/72/05/53/1241720553.db2.gz XKCFPKKLHINVTQ-SJORKVTESA-N 1 2 345.491 2.466 20 30 EEEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)c2oncc2C)CC1 ZINC001001332542 1242075814 /nfs/dbraw/zinc/07/58/14/1242075814.db2.gz OCFVYQFUKCNCPT-UHFFFAOYSA-N 1 2 340.221 2.254 20 30 EEEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)c2oncc2C)CC1 ZINC001001332542 1242075823 /nfs/dbraw/zinc/07/58/23/1242075823.db2.gz OCFVYQFUKCNCPT-UHFFFAOYSA-N 1 2 340.221 2.254 20 30 EEEDLO CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC001049903797 1242630122 /nfs/dbraw/zinc/63/01/22/1242630122.db2.gz ZRYNYHJHBPWWDD-QZTJIDSGSA-N 1 2 338.411 2.372 20 30 EEEDLO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC001049903797 1242630140 /nfs/dbraw/zinc/63/01/40/1242630140.db2.gz ZRYNYHJHBPWWDD-QZTJIDSGSA-N 1 2 338.411 2.372 20 30 EEEDLO C=C1CC(C)(C(=O)N(C)CCCN(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001067925174 1249987285 /nfs/dbraw/zinc/98/72/85/1249987285.db2.gz SFBZGTLSJRFUQE-UHFFFAOYSA-N 1 2 346.475 2.016 20 30 EEEDLO Cc1cc(C[N@H+](C)C[C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)no1 ZINC001073984578 1242864588 /nfs/dbraw/zinc/86/45/88/1242864588.db2.gz QSXQGUGNKQZVGM-MRXNPFEDSA-N 1 2 341.415 2.310 20 30 EEEDLO Cc1cc(C[N@@H+](C)C[C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)no1 ZINC001073984578 1242864602 /nfs/dbraw/zinc/86/46/02/1242864602.db2.gz QSXQGUGNKQZVGM-MRXNPFEDSA-N 1 2 341.415 2.310 20 30 EEEDLO C=C[C@H](CC)CC(=O)NC[C@H](Nc1[nH+]cnc2c1cnn2C)C1CC1 ZINC001096778205 1243245714 /nfs/dbraw/zinc/24/57/14/1243245714.db2.gz HQEOSRHWVOEUFF-DOMZBBRYSA-N 1 2 342.447 2.272 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cocn2)C3)c(F)c1 ZINC001096878367 1243410991 /nfs/dbraw/zinc/41/09/91/1243410991.db2.gz YZPATNRWXURIHG-UNEWFSDZSA-N 1 2 340.358 2.221 20 30 EEEDLO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cocn2)C3)c(F)c1 ZINC001096878367 1243410996 /nfs/dbraw/zinc/41/09/96/1243410996.db2.gz YZPATNRWXURIHG-UNEWFSDZSA-N 1 2 340.358 2.221 20 30 EEEDLO C=CCOCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c(C)c1C 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346.475 2.395 20 30 EEEDLO Cc1nsc(N[C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)c1C#N ZINC001057675061 1244652124 /nfs/dbraw/zinc/65/21/24/1244652124.db2.gz XUCNWGVQJMIWEH-GFCCVEGCSA-N 1 2 344.444 2.000 20 30 EEEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(OC(C)C)nc1 ZINC001050945203 1244687104 /nfs/dbraw/zinc/68/71/04/1244687104.db2.gz IZIAETZDNFMPKZ-QGZVFWFLSA-N 1 2 347.459 2.266 20 30 EEEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(OC(C)C)nc1 ZINC001050945203 1244687113 /nfs/dbraw/zinc/68/71/13/1244687113.db2.gz IZIAETZDNFMPKZ-QGZVFWFLSA-N 1 2 347.459 2.266 20 30 EEEDLO N#Cc1c(F)cccc1N[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001057683058 1244692085 /nfs/dbraw/zinc/69/20/85/1244692085.db2.gz ACKPFRQGHBOSPG-LBPRGKRZSA-N 1 2 327.363 2.066 20 30 EEEDLO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001052689655 1244758104 /nfs/dbraw/zinc/75/81/04/1244758104.db2.gz FZYDRTMNWPJPFF-HIFRSBDPSA-N 1 2 346.475 2.074 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2cc(C)ccc2O1 ZINC001051026218 1244871906 /nfs/dbraw/zinc/87/19/06/1244871906.db2.gz NZAROGPXZFDYSJ-MJGOQNOKSA-N 1 2 344.455 2.082 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2cc(C)ccc2O1 ZINC001051026218 1244871917 /nfs/dbraw/zinc/87/19/17/1244871917.db2.gz NZAROGPXZFDYSJ-MJGOQNOKSA-N 1 2 344.455 2.082 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(F)c(F)c1F ZINC001051090414 1244967738 /nfs/dbraw/zinc/96/77/38/1244967738.db2.gz BGPMSIAPTQOESF-NSHDSACASA-N 1 2 328.334 2.111 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(F)c(F)c1F ZINC001051090414 1244967742 /nfs/dbraw/zinc/96/77/42/1244967742.db2.gz BGPMSIAPTQOESF-NSHDSACASA-N 1 2 328.334 2.111 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(F)c1Cl ZINC001051143841 1245040154 /nfs/dbraw/zinc/04/01/54/1245040154.db2.gz UYSLAOVCLBLLFG-GFCCVEGCSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(F)c1Cl ZINC001051143841 1245040159 /nfs/dbraw/zinc/04/01/59/1245040159.db2.gz UYSLAOVCLBLLFG-GFCCVEGCSA-N 1 2 326.799 2.486 20 30 EEEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccncc1C(F)(F)F ZINC001051191690 1245369776 /nfs/dbraw/zinc/36/97/76/1245369776.db2.gz CLXSQXABRKGVDS-LBPRGKRZSA-N 1 2 343.349 2.107 20 30 EEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccncc1C(F)(F)F ZINC001051191690 1245369778 /nfs/dbraw/zinc/36/97/78/1245369778.db2.gz CLXSQXABRKGVDS-LBPRGKRZSA-N 1 2 343.349 2.107 20 30 EEEDLO Cc1cc(NCCN(C)C(=O)c2cc(C#N)c[nH]2)nc(C(C)C)[nH+]1 ZINC001101571825 1245976376 /nfs/dbraw/zinc/97/63/76/1245976376.db2.gz SFIYZZZXLFHGAF-UHFFFAOYSA-N 1 2 326.404 2.292 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)C(C)(C)C)c1nccn12 ZINC001101632105 1246061311 /nfs/dbraw/zinc/06/13/11/1246061311.db2.gz ABWZUKIEPNMUNH-HUUCEWRRSA-N 1 2 328.460 2.161 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)CCC)c1nccn12 ZINC001101642587 1246074018 /nfs/dbraw/zinc/07/40/18/1246074018.db2.gz GPFHPIOONGXVGC-OAHLLOKOSA-N 1 2 328.460 2.305 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1c(C)cccc1C)CCO2 ZINC001053276763 1246130420 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EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)c1ccccc1F)CCO2 ZINC001053476437 1246375032 /nfs/dbraw/zinc/37/50/32/1246375032.db2.gz SVSUTMRNCCRJTJ-OAHLLOKOSA-N 1 2 332.419 2.419 20 30 EEEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCC4(CC4)C3)C2)CC1 ZINC001052029286 1246394281 /nfs/dbraw/zinc/39/42/81/1246394281.db2.gz YSYXDCSYQBYYPF-RTBURBONSA-N 1 2 343.515 2.199 20 30 EEEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)COc1ccc(C)c(C)c1)CCO2 ZINC001053531631 1246439951 /nfs/dbraw/zinc/43/99/51/1246439951.db2.gz SYRJBWHJGMJXHX-UHFFFAOYSA-N 1 2 344.455 2.172 20 30 EEEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3cc[nH]c3C3CC3)C2)CC1 ZINC001052069313 1246441051 /nfs/dbraw/zinc/44/10/51/1246441051.db2.gz XLNJTDQOJRJVDZ-QGZVFWFLSA-N 1 2 342.487 2.300 20 30 EEEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)C3(CC)CC3)C2)CC1 ZINC001052079233 1246455840 /nfs/dbraw/zinc/45/58/40/1246455840.db2.gz GPRZZGADIIFLID-OAHLLOKOSA-N 1 2 325.884 2.148 20 30 EEEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc(CC)n1)O2 ZINC001053611023 1246531480 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Cc1ncc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)s1 ZINC001031574501 769783862 /nfs/dbraw/zinc/78/38/62/769783862.db2.gz TYGBBOZJESMAJU-UHFFFAOYSA-N 1 2 344.415 2.324 20 30 EEEDLO C[C@H](C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)Nc1cncc(C#N)n1 ZINC001089496276 769872492 /nfs/dbraw/zinc/87/24/92/769872492.db2.gz PLTXNXNGFYUJTD-NEPJUHHUSA-N 1 2 349.398 2.234 20 30 EEEDLO CCc1ocnc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031590228 769921315 /nfs/dbraw/zinc/92/13/15/769921315.db2.gz ALPTYDWLANYONN-UHFFFAOYSA-N 1 2 342.374 2.110 20 30 EEEDLO CC(C)(C)[C@H](CNc1ncc(C#N)cc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001126108397 770002764 /nfs/dbraw/zinc/00/27/64/770002764.db2.gz BNJZZIKOGVEGNQ-AWEZNQCLSA-N 1 2 344.394 2.001 20 30 EEEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)C2)cc1F ZINC001031597821 770035254 /nfs/dbraw/zinc/03/52/54/770035254.db2.gz HIOMEYBJUSDKAN-VQFNDLOPSA-N 1 2 327.403 2.291 20 30 EEEDLO C[C@H](C[C@@H](C)Nc1ccc(C#N)nc1)NC(=O)CCc1[nH+]ccn1C ZINC001089525024 770105055 /nfs/dbraw/zinc/10/50/55/770105055.db2.gz TVAQQMDMVHVBTP-ZIAGYGMSSA-N 1 2 340.431 2.015 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@@H]2c2ccccc2)c1 ZINC001087424521 770310991 /nfs/dbraw/zinc/31/09/91/770310991.db2.gz CNELLNZSLQCFND-SJLPKXTDSA-N 1 2 340.402 2.444 20 30 EEEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@@H]2c2ccccc2)c1 ZINC001087424521 770311000 /nfs/dbraw/zinc/31/10/00/770311000.db2.gz CNELLNZSLQCFND-SJLPKXTDSA-N 1 2 340.402 2.444 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ncnn3CC)C[C@@H]2C)CC1 ZINC000942600380 782825583 /nfs/dbraw/zinc/82/55/83/782825583.db2.gz OYAGDKOGFMPQDS-RDJZCZTQSA-N 1 2 345.491 2.371 20 30 EEEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ncnn3CC)C[C@@H]2C)CC1 ZINC000942600380 782825591 /nfs/dbraw/zinc/82/55/91/782825591.db2.gz OYAGDKOGFMPQDS-RDJZCZTQSA-N 1 2 345.491 2.371 20 30 EEEDLO N#Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(Cl)s3)C2)c[nH]1 ZINC001031622575 770347552 /nfs/dbraw/zinc/34/75/52/770347552.db2.gz YLNCBUYEXQRXOQ-UHFFFAOYSA-N 1 2 334.832 2.463 20 30 EEEDLO CCc1nc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)co1 ZINC001031623415 770394348 /nfs/dbraw/zinc/39/43/48/770394348.db2.gz FJZFSBZOJORUID-UHFFFAOYSA-N 1 2 342.374 2.110 20 30 EEEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)C1=CCOCC1 ZINC001031627721 770441455 /nfs/dbraw/zinc/44/14/55/770441455.db2.gz UVDRKYLLFZULHS-UHFFFAOYSA-N 1 2 344.842 2.086 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nn(CC)nc3C)C[C@H]2C)C1 ZINC000942607618 782848725 /nfs/dbraw/zinc/84/87/25/782848725.db2.gz IGNKCEFIVYIVMD-ZBFHGGJFSA-N 1 2 345.491 2.289 20 30 EEEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nn(CC)nc3C)C[C@H]2C)C1 ZINC000942607618 782848729 /nfs/dbraw/zinc/84/87/29/782848729.db2.gz IGNKCEFIVYIVMD-ZBFHGGJFSA-N 1 2 345.491 2.289 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001031678128 770901524 /nfs/dbraw/zinc/90/15/24/770901524.db2.gz AFORAXXZAHWOLZ-CVEARBPZSA-N 1 2 349.862 2.264 20 30 EEEDLO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)o1 ZINC001027830512 770924026 /nfs/dbraw/zinc/92/40/26/770924026.db2.gz CRHAOWBBBOWQKZ-OCCSQVGLSA-N 1 2 327.388 2.138 20 30 EEEDLO Cc1cnc([C@@H](C)[N@H+]2CCC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)o1 ZINC001027830512 770924032 /nfs/dbraw/zinc/92/40/32/770924032.db2.gz CRHAOWBBBOWQKZ-OCCSQVGLSA-N 1 2 327.388 2.138 20 30 EEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3(CCCC)CC3)C2)nn1 ZINC001098723284 783055895 /nfs/dbraw/zinc/05/58/95/783055895.db2.gz WUWSSVGVIWCPGH-KRWDZBQOSA-N 1 2 343.475 2.135 20 30 EEEDLO CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001089641354 773646182 /nfs/dbraw/zinc/64/61/82/773646182.db2.gz LMSYUEWRWXPCDG-HZPDHXFCSA-N 1 2 342.487 2.460 20 30 EEEDLO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001089641354 773646186 /nfs/dbraw/zinc/64/61/86/773646186.db2.gz LMSYUEWRWXPCDG-HZPDHXFCSA-N 1 2 342.487 2.460 20 30 EEEDLO COCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131734742 783147283 /nfs/dbraw/zinc/14/72/83/783147283.db2.gz KMRPSATVIRFKDB-GUYCJALGSA-N 1 2 333.407 2.203 20 30 EEEDLO COCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001131734742 783147288 /nfs/dbraw/zinc/14/72/88/783147288.db2.gz KMRPSATVIRFKDB-GUYCJALGSA-N 1 2 333.407 2.203 20 30 EEEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2nc(C)c(C)s2)C1 ZINC001032047377 783181188 /nfs/dbraw/zinc/18/11/88/783181188.db2.gz YMSCXYOFUHGMDW-RDJZCZTQSA-N 1 2 349.500 2.289 20 30 EEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2c[nH]cc2C)C1 ZINC000980389935 774489043 /nfs/dbraw/zinc/48/90/43/774489043.db2.gz DKCDXERTQQSGHS-LBPRGKRZSA-N 1 2 326.238 2.378 20 30 EEEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2c[nH]cc2C)C1 ZINC000980389935 774489046 /nfs/dbraw/zinc/48/90/46/774489046.db2.gz DKCDXERTQQSGHS-LBPRGKRZSA-N 1 2 326.238 2.378 20 30 EEEDLO CCN(c1ncccc1C#N)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001089709100 774596141 /nfs/dbraw/zinc/59/61/41/774596141.db2.gz CAONGPKWOYATDS-CQSZACIVSA-N 1 2 348.410 2.246 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn4c(n3)CCCC4)[C@@H]2C1 ZINC001075852585 783196553 /nfs/dbraw/zinc/19/65/53/783196553.db2.gz YMYKZXSUECKUAS-DZGCQCFKSA-N 1 2 334.851 2.118 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cn4c(n3)CCCC4)[C@@H]2C1 ZINC001075852585 783196560 /nfs/dbraw/zinc/19/65/60/783196560.db2.gz YMYKZXSUECKUAS-DZGCQCFKSA-N 1 2 334.851 2.118 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H](C)N(CC)c1ncnc2c1C[N@H+](C)CC2 ZINC001089720818 774710064 /nfs/dbraw/zinc/71/00/64/774710064.db2.gz YWXVGEZRWLWCDQ-CQSZACIVSA-N 1 2 345.491 2.008 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@@H](C)N(CC)c1ncnc2c1C[N@@H+](C)CC2 ZINC001089720818 774710066 /nfs/dbraw/zinc/71/00/66/774710066.db2.gz YWXVGEZRWLWCDQ-CQSZACIVSA-N 1 2 345.491 2.008 20 30 EEEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2oncc2C)C[C@H]1C ZINC000947881461 774992006 /nfs/dbraw/zinc/99/20/06/774992006.db2.gz CFZJSAXCTLGPDY-NEPJUHHUSA-N 1 2 342.237 2.474 20 30 EEEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2oncc2C)C[C@H]1C ZINC000947881461 774992011 /nfs/dbraw/zinc/99/20/11/774992011.db2.gz CFZJSAXCTLGPDY-NEPJUHHUSA-N 1 2 342.237 2.474 20 30 EEEDLO CS[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000980731899 775366660 /nfs/dbraw/zinc/36/66/60/775366660.db2.gz FVKQYVXOPWCHFY-CYBMUJFWSA-N 1 2 335.448 2.483 20 30 EEEDLO CS[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000980731899 775366667 /nfs/dbraw/zinc/36/66/67/775366667.db2.gz FVKQYVXOPWCHFY-CYBMUJFWSA-N 1 2 335.448 2.483 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1csc(NC(C)=O)n1 ZINC001027990896 775775312 /nfs/dbraw/zinc/77/53/12/775775312.db2.gz ROEVESCLOILZFT-NSHDSACASA-N 1 2 342.852 2.048 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1csc(NC(C)=O)n1 ZINC001027990896 775775317 /nfs/dbraw/zinc/77/53/17/775775317.db2.gz ROEVESCLOILZFT-NSHDSACASA-N 1 2 342.852 2.048 20 30 EEEDLO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c2ccccc2c1=O ZINC001027993799 775786562 /nfs/dbraw/zinc/78/65/62/775786562.db2.gz AJHNDTDYXDZSLL-AWEZNQCLSA-N 1 2 325.412 2.298 20 30 EEEDLO C=CCC[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]c2ccccc2c1=O ZINC001027993799 775786566 /nfs/dbraw/zinc/78/65/66/775786566.db2.gz AJHNDTDYXDZSLL-AWEZNQCLSA-N 1 2 325.412 2.298 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C2CC(F)(F)C2)s1 ZINC001038153482 775817329 /nfs/dbraw/zinc/81/73/29/775817329.db2.gz WPXGFAUNJCPFOG-LLVKDONJSA-N 1 2 325.384 2.356 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C2CC(F)(F)C2)s1 ZINC001038153482 775817337 /nfs/dbraw/zinc/81/73/37/775817337.db2.gz WPXGFAUNJCPFOG-LLVKDONJSA-N 1 2 325.384 2.356 20 30 EEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCCO3)CC2)s1 ZINC000980985828 776266517 /nfs/dbraw/zinc/26/65/17/776266517.db2.gz ZLFBZCBRUKBNCE-INIZCTEOSA-N 1 2 333.457 2.223 20 30 EEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCCO3)CC2)s1 ZINC000980985828 776266527 /nfs/dbraw/zinc/26/65/27/776266527.db2.gz ZLFBZCBRUKBNCE-INIZCTEOSA-N 1 2 333.457 2.223 20 30 EEEDLO C#Cc1ccccc1CC(=O)NC[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091361246 790441917 /nfs/dbraw/zinc/44/19/17/790441917.db2.gz OVQQJOHJQOKHLT-RHNCMZPLSA-N 1 2 334.423 2.316 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC001032516954 790504208 /nfs/dbraw/zinc/50/42/08/790504208.db2.gz PTFLLMNCYDHRMG-STHPQGGCSA-N 1 2 336.435 2.035 20 30 EEEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC001032516954 790504215 /nfs/dbraw/zinc/50/42/15/790504215.db2.gz PTFLLMNCYDHRMG-STHPQGGCSA-N 1 2 336.435 2.035 20 30 EEEDLO O=C(c1ccsn1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981421481 777361100 /nfs/dbraw/zinc/36/11/00/777361100.db2.gz MKWVGXCVSNMJPK-UHFFFAOYSA-N 1 2 343.427 2.482 20 30 EEEDLO O=C(c1ccsn1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981421481 777361107 /nfs/dbraw/zinc/36/11/07/777361107.db2.gz MKWVGXCVSNMJPK-UHFFFAOYSA-N 1 2 343.427 2.482 20 30 EEEDLO O=C(c1cc(F)c[nH]1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981631952 777850902 /nfs/dbraw/zinc/85/09/02/777850902.db2.gz GOPPNMFXXLMTJC-UHFFFAOYSA-N 1 2 325.387 2.353 20 30 EEEDLO O=C(c1cc(F)c[nH]1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981631952 777850910 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C[C@]1(CNC(=O)CC2CCC2)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107841057 788706957 /nfs/dbraw/zinc/70/69/57/788706957.db2.gz HFKFTRDZYPZTGF-FQEVSTJZSA-N 1 2 341.455 2.456 20 30 EEEDLO C[C@@H](C(=O)NC[C@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1)C1CC1 ZINC001107845908 788737343 /nfs/dbraw/zinc/73/73/43/788737343.db2.gz MPMPNCPJPXIYGD-FOIQADDNSA-N 1 2 341.455 2.311 20 30 EEEDLO C[C@@H](C(=O)NC[C@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1)C1CC1 ZINC001107845908 788737347 /nfs/dbraw/zinc/73/73/47/788737347.db2.gz MPMPNCPJPXIYGD-FOIQADDNSA-N 1 2 341.455 2.311 20 30 EEEDLO C#CC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)CCC=C(C)C)[C@@H](n2ccnn2)C1 ZINC001129279309 788920844 /nfs/dbraw/zinc/92/08/44/788920844.db2.gz CMEKONFEYDOUNK-KSZLIROESA-N 1 2 343.475 2.025 20 30 EEEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)CCC=C(C)C)[C@@H](n2ccnn2)C1 ZINC001129279309 788920853 /nfs/dbraw/zinc/92/08/53/788920853.db2.gz CMEKONFEYDOUNK-KSZLIROESA-N 1 2 343.475 2.025 20 30 EEEDLO CC1(C)C[C@@H]1C(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107874968 788985529 /nfs/dbraw/zinc/98/55/29/788985529.db2.gz STNUJCIHSHMFTO-XLIONFOSSA-N 1 2 341.455 2.311 20 30 EEEDLO CC1(C)C[C@@H]1C(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107874968 788985533 /nfs/dbraw/zinc/98/55/33/788985533.db2.gz STNUJCIHSHMFTO-XLIONFOSSA-N 1 2 341.455 2.311 20 30 EEEDLO CC1(C)C[C@H]1C(=O)NC[C@@]1(C)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107874967 788986175 /nfs/dbraw/zinc/98/61/75/788986175.db2.gz STNUJCIHSHMFTO-PXNSSMCTSA-N 1 2 341.455 2.311 20 30 EEEDLO CC1(C)C[C@H]1C(=O)NC[C@@]1(C)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001107874967 788986183 /nfs/dbraw/zinc/98/61/83/788986183.db2.gz STNUJCIHSHMFTO-PXNSSMCTSA-N 1 2 341.455 2.311 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCc2ccccc2)C1 ZINC001108178914 789503863 /nfs/dbraw/zinc/50/38/63/789503863.db2.gz NWWQVYNKBJDJOW-FQEVSTJZSA-N 1 2 328.456 2.240 20 30 EEEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCc2ccccc2)C1 ZINC001108178914 789503873 /nfs/dbraw/zinc/50/38/73/789503873.db2.gz NWWQVYNKBJDJOW-FQEVSTJZSA-N 1 2 328.456 2.240 20 30 EEEDLO CCOC(=O)c1[nH]ccc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001144334030 789581031 /nfs/dbraw/zinc/58/10/31/789581031.db2.gz MGZFUZNNMFJEGV-UHFFFAOYSA-N 1 2 338.411 2.385 20 30 EEEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001108181163 789600612 /nfs/dbraw/zinc/60/06/12/789600612.db2.gz SYQJPKUTVXFGOX-OAQYLSRUSA-N 1 2 342.483 2.385 20 30 EEEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001108181163 789600617 /nfs/dbraw/zinc/60/06/17/789600617.db2.gz SYQJPKUTVXFGOX-OAQYLSRUSA-N 1 2 342.483 2.385 20 30 EEEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)cc1 ZINC000997332087 789605892 /nfs/dbraw/zinc/60/58/92/789605892.db2.gz NRRRNBYVVVSAIF-UHFFFAOYSA-N 1 2 347.418 2.243 20 30 EEEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060864382 790162680 /nfs/dbraw/zinc/16/26/80/790162680.db2.gz NVTDZIVYOXLLJM-JYJNAYRXSA-N 1 2 346.475 2.346 20 30 EEEDLO C=CCCC(=O)NC[C@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001091556281 791210653 /nfs/dbraw/zinc/21/06/53/791210653.db2.gz QXVJBQXCWLVTFZ-QWHCGFSZSA-N 1 2 328.420 2.026 20 30 EEEDLO C=CC(C)(C)C(=O)N1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)[C@@H](C)C1 ZINC001063782902 791724873 /nfs/dbraw/zinc/72/48/73/791724873.db2.gz SHYPVZGHTCUNKD-GXTWGEPZSA-N 1 2 342.447 2.224 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC1(CNC(=O)CCn2cc[nH+]c2)CCC1 ZINC001063788607 791732217 /nfs/dbraw/zinc/73/22/17/791732217.db2.gz PFCZSTRWIWXWQR-HNNXBMFYSA-N 1 2 332.448 2.031 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nnc(C3CC3)o1)C2 ZINC001147373879 791803881 /nfs/dbraw/zinc/80/38/81/791803881.db2.gz FRMCJNVVCYJPTN-UHFFFAOYSA-N 1 2 342.443 2.175 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nnc(C3CC3)o1)C2 ZINC001147373879 791803885 /nfs/dbraw/zinc/80/38/85/791803885.db2.gz FRMCJNVVCYJPTN-UHFFFAOYSA-N 1 2 342.443 2.175 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1nccn1CC)C2 ZINC001147374936 791804634 /nfs/dbraw/zinc/80/46/34/791804634.db2.gz WTOJSLWRRKSOIH-UHFFFAOYSA-N 1 2 328.460 2.131 20 30 EEEDLO C#CCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1nccn1CC)C2 ZINC001147374936 791804640 /nfs/dbraw/zinc/80/46/40/791804640.db2.gz WTOJSLWRRKSOIH-UHFFFAOYSA-N 1 2 328.460 2.131 20 30 EEEDLO CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@H]1CCCN(CC#N)CC1 ZINC000998006181 791818328 /nfs/dbraw/zinc/81/83/28/791818328.db2.gz ISKMAXQSJWLQTO-KRWDZBQOSA-N 1 2 339.443 2.483 20 30 EEEDLO N#Cc1ccc(NCC[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)nc1 ZINC001063850816 791832239 /nfs/dbraw/zinc/83/22/39/791832239.db2.gz VIXGUUARYUUEMK-MRXNPFEDSA-N 1 2 338.415 2.102 20 30 EEEDLO C#CCCCNC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000173326368 791836655 /nfs/dbraw/zinc/83/66/55/791836655.db2.gz BWQMHRIYHBOBHF-MRXNPFEDSA-N 1 2 329.444 2.497 20 30 EEEDLO C=CCCCC(=O)NC[C@H]1CC[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001091634817 791855950 /nfs/dbraw/zinc/85/59/50/791855950.db2.gz MJAPPKUDYJDNNM-LSDHHAIUSA-N 1 2 346.479 2.299 20 30 EEEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1nc(C3CC3)no1)C2 ZINC001147640206 791895298 /nfs/dbraw/zinc/89/52/98/791895298.db2.gz QFOWOHLZVDXEKP-UHFFFAOYSA-N 1 2 330.432 2.338 20 30 EEEDLO C=C(C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1nc(C3CC3)no1)C2 ZINC001147640206 791895304 /nfs/dbraw/zinc/89/53/04/791895304.db2.gz QFOWOHLZVDXEKP-UHFFFAOYSA-N 1 2 330.432 2.338 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nnc(C)[nH]1)C2 ZINC001147653023 791902122 /nfs/dbraw/zinc/90/21/22/791902122.db2.gz VKOUIOIPAYEETC-ZDUSSCGKSA-N 1 2 331.464 2.311 20 30 EEEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nnc(C)[nH]1)C2 ZINC001147653023 791902123 /nfs/dbraw/zinc/90/21/23/791902123.db2.gz VKOUIOIPAYEETC-ZDUSSCGKSA-N 1 2 331.464 2.311 20 30 EEEDLO Cc1nc(NC[C@H]2CCCC[C@H]2NC(=O)c2ccc(C#N)[nH]2)cc[nH+]1 ZINC001064167818 792579188 /nfs/dbraw/zinc/57/91/88/792579188.db2.gz DZMKFVJOMWXXLG-UKRRQHHQSA-N 1 2 338.415 2.386 20 30 EEEDLO N#Cc1cccnc1NC[C@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001064187177 792641339 /nfs/dbraw/zinc/64/13/39/792641339.db2.gz BCVXLVJCFZBZEQ-GDBMZVCRSA-N 1 2 338.415 2.006 20 30 EEEDLO C=CCCCC(=O)NCC1(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCC1 ZINC001064273782 792790532 /nfs/dbraw/zinc/79/05/32/792790532.db2.gz BYCACKBITRPUSC-AWEZNQCLSA-N 1 2 344.459 2.341 20 30 EEEDLO C[N@@H+](Cc1nccs1)C[C@@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001089161595 792935976 /nfs/dbraw/zinc/93/59/76/792935976.db2.gz XYLXTGFNQXWCKF-AWEZNQCLSA-N 1 2 343.456 2.470 20 30 EEEDLO C[N@H+](Cc1nccs1)C[C@@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001089161595 792935983 /nfs/dbraw/zinc/93/59/83/792935983.db2.gz XYLXTGFNQXWCKF-AWEZNQCLSA-N 1 2 343.456 2.470 20 30 EEEDLO CCc1noc([C@H](C)[N@H+](C)C[C@@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC001089174566 793071592 /nfs/dbraw/zinc/07/15/92/793071592.db2.gz FCQNFZYRKLKQOT-HOCLYGCPSA-N 1 2 344.459 2.419 20 30 EEEDLO CCc1noc([C@H](C)[N@@H+](C)C[C@@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC001089174566 793071602 /nfs/dbraw/zinc/07/16/02/793071602.db2.gz FCQNFZYRKLKQOT-HOCLYGCPSA-N 1 2 344.459 2.419 20 30 EEEDLO C=CCCCC(=O)N[C@H]1CCN(c2[nH+]cnc3c2cnn3C)[C@@H]1CC ZINC001091823589 793335416 /nfs/dbraw/zinc/33/54/16/793335416.db2.gz HXUVSWTZHNXZIG-LSDHHAIUSA-N 1 2 342.447 2.193 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001091916584 793402615 /nfs/dbraw/zinc/40/26/15/793402615.db2.gz IVIHFJVCTQNGBT-KUHUBIRLSA-N 1 2 343.475 2.175 20 30 EEEDLO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)C[C@@]2(C)C1 ZINC001091916584 793402618 /nfs/dbraw/zinc/40/26/18/793402618.db2.gz IVIHFJVCTQNGBT-KUHUBIRLSA-N 1 2 343.475 2.175 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CCCCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001091917481 793404554 /nfs/dbraw/zinc/40/45/54/793404554.db2.gz IDWCLRXKSZILBT-MAUKXSAKSA-N 1 2 332.448 2.295 20 30 EEEDLO N#Cc1ccc(NC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C2CC2)cn1 ZINC001109940081 806252000 /nfs/dbraw/zinc/25/20/00/806252000.db2.gz HOCQPLYEQKWGCS-MRXNPFEDSA-N 1 2 346.394 2.221 20 30 EEEDLO Cc1nc(N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C#CC(C)C)cc[nH+]1 ZINC001092123491 793589908 /nfs/dbraw/zinc/58/99/08/793589908.db2.gz LMMFHNKWJXJZGS-MHORFTMASA-N 1 2 338.455 2.118 20 30 EEEDLO C[C@@H](CC(=O)NCC1CC(Nc2ncccc2C#N)C1)n1cc[nH+]c1 ZINC001092268286 793735392 /nfs/dbraw/zinc/73/53/92/793735392.db2.gz PSZSQWMIPBFHHO-HLIUYOAVSA-N 1 2 338.415 2.108 20 30 EEEDLO C[C@H]1C[C@@H](Nc2ccc(C#N)nc2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001064773069 793736066 /nfs/dbraw/zinc/73/60/66/793736066.db2.gz RSUSRTOLGYDHSH-KBPBESRZSA-N 1 2 338.415 2.101 20 30 EEEDLO C=C[C@H](CC)CC(=O)NCC1CC(Nc2[nH+]cnc3c2cnn3C)C1 ZINC001092257966 793768629 /nfs/dbraw/zinc/76/86/29/793768629.db2.gz ORLQXOYLHREEDL-IYXRBSQSSA-N 1 2 342.447 2.272 20 30 EEEDLO Cc1nsc(N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)c1C#N ZINC001064793910 793774944 /nfs/dbraw/zinc/77/49/44/793774944.db2.gz ZCBLQWRRZKMQFE-CMPLNLGQSA-N 1 2 344.444 2.080 20 30 EEEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C)s1)c1nccn12 ZINC001092338230 793861264 /nfs/dbraw/zinc/86/12/64/793861264.db2.gz IGBRGYREIOHMKL-CQSZACIVSA-N 1 2 340.452 2.162 20 30 EEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)nc2)[C@H](O)C1 ZINC001090322638 793887507 /nfs/dbraw/zinc/88/75/07/793887507.db2.gz KJPWCFPGPBJGRB-JKSUJKDBSA-N 1 2 337.851 2.123 20 30 EEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)nc2)[C@H](O)C1 ZINC001090322638 793887515 /nfs/dbraw/zinc/88/75/15/793887515.db2.gz KJPWCFPGPBJGRB-JKSUJKDBSA-N 1 2 337.851 2.123 20 30 EEEDLO C#CCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccnc2)cc1 ZINC001032670553 794034258 /nfs/dbraw/zinc/03/42/58/794034258.db2.gz FDBIETBZHZNMBH-OALUTQOASA-N 1 2 347.418 2.193 20 30 EEEDLO C#CCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccnc2)cc1 ZINC001032670553 794034262 /nfs/dbraw/zinc/03/42/62/794034262.db2.gz FDBIETBZHZNMBH-OALUTQOASA-N 1 2 347.418 2.193 20 30 EEEDLO CCc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C#CC(C)C)C3)nc(C)[nH+]1 ZINC001092829533 794390252 /nfs/dbraw/zinc/39/02/52/794390252.db2.gz UGDGLBAANZNESA-IKGGRYGDSA-N 1 2 326.444 2.233 20 30 EEEDLO Cc1nc(N2C[C@@H]3CCC[C@]3(NC(=O)[C@H](C)C#N)C2)c(C)c(C)[nH+]1 ZINC001093082240 794592194 /nfs/dbraw/zinc/59/21/94/794592194.db2.gz PSWRRSZIHDLVLK-PSZVPEGOSA-N 1 2 327.432 2.037 20 30 EEEDLO C#CCO[C@@H](C)C(=O)NCC1(Nc2cc[nH+]c(C)n2)CCCCC1 ZINC001093401025 795180083 /nfs/dbraw/zinc/18/00/83/795180083.db2.gz NRTXQWUPANLAOX-AWEZNQCLSA-N 1 2 330.432 2.054 20 30 EEEDLO C=CCOc1cccnc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](F)CC ZINC001032724200 795258626 /nfs/dbraw/zinc/25/86/26/795258626.db2.gz LBDHATTVOQBKDR-KKUMJFAQSA-N 1 2 333.407 2.293 20 30 EEEDLO C=CCOc1cccnc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](F)CC ZINC001032724200 795258628 /nfs/dbraw/zinc/25/86/28/795258628.db2.gz LBDHATTVOQBKDR-KKUMJFAQSA-N 1 2 333.407 2.293 20 30 EEEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(OC2C[NH+](CC(=C)C)C2)CC1 ZINC001093537951 795338397 /nfs/dbraw/zinc/33/83/97/795338397.db2.gz RCUKGYRHZAQVHM-MOPGFXCFSA-N 1 2 348.487 2.236 20 30 EEEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)c3cnc(C4CC4)o3)CC2)C1 ZINC001093541994 795352412 /nfs/dbraw/zinc/35/24/12/795352412.db2.gz FIUOBQQKXQQGGE-UHFFFAOYSA-N 1 2 345.443 2.434 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3conc3C3CC3)CC2)C1 ZINC001093571058 795382427 /nfs/dbraw/zinc/38/24/27/795382427.db2.gz JOGRQZCHUHPXHK-UHFFFAOYSA-N 1 2 331.416 2.043 20 30 EEEDLO C=CC[NH+]1CC(OC2CCN(C(=O)Cc3ccc(F)cc3)CC2)C1 ZINC001093595355 795434882 /nfs/dbraw/zinc/43/48/82/795434882.db2.gz YURLYZVGVAGEMW-UHFFFAOYSA-N 1 2 332.419 2.246 20 30 EEEDLO C#CCOCCC(=O)N[C@@H](C)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001106443186 795605065 /nfs/dbraw/zinc/60/50/65/795605065.db2.gz TUGDXCVWWAIINP-ZDUSSCGKSA-N 1 2 330.432 2.009 20 30 EEEDLO Cc1c[nH+]c2cc(C(=O)NCCNc3nc(C)ccc3C#N)ccn12 ZINC001093888295 795766436 /nfs/dbraw/zinc/76/64/36/795766436.db2.gz XBYPTXFLDKXRKI-UHFFFAOYSA-N 1 2 334.383 2.060 20 30 EEEDLO C#CCOc1ccc(C(=O)N[C@@H](C)CCNc2cc[nH+]c(C)n2)cc1 ZINC001106596989 795927099 /nfs/dbraw/zinc/92/70/99/795927099.db2.gz KBGDYUJDDLPMQS-AWEZNQCLSA-N 1 2 338.411 2.418 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ccccc3CCC)nn2)C1 ZINC001094303599 796072884 /nfs/dbraw/zinc/07/28/84/796072884.db2.gz QUWRBQNMFBTQAN-UHFFFAOYSA-N 1 2 339.443 2.203 20 30 EEEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3sccc3C3CC3)nn2)C1 ZINC001094336519 796109965 /nfs/dbraw/zinc/10/99/65/796109965.db2.gz GQDUJUOFRSGIFO-UHFFFAOYSA-N 1 2 343.456 2.190 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001080615707 796237549 /nfs/dbraw/zinc/23/75/49/796237549.db2.gz DFVKJJMRYUQRSU-MLGOLLRUSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001080615707 796237555 /nfs/dbraw/zinc/23/75/55/796237555.db2.gz DFVKJJMRYUQRSU-MLGOLLRUSA-N 1 2 345.834 2.070 20 30 EEEDLO C[C@H](C[C@H](C)Nc1ncccc1C#N)NC(=O)CCCn1cc[nH+]c1 ZINC001089345786 796350669 /nfs/dbraw/zinc/35/06/69/796350669.db2.gz LOASEOWBWQZTAU-CABCVRRESA-N 1 2 340.431 2.325 20 30 EEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001080917809 796478438 /nfs/dbraw/zinc/47/84/38/796478438.db2.gz CZJCQFAUKBQBNW-MLGOLLRUSA-N 1 2 345.834 2.070 20 30 EEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001080917809 796478441 /nfs/dbraw/zinc/47/84/41/796478441.db2.gz CZJCQFAUKBQBNW-MLGOLLRUSA-N 1 2 345.834 2.070 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@H]1Cc2cccc(F)c2C1 ZINC001171794370 796749632 /nfs/dbraw/zinc/74/96/32/796749632.db2.gz ADSARMAAVLRJDC-KBXCAEBGSA-N 1 2 342.418 2.223 20 30 EEEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@H]1Cc2cccc(F)c2C1 ZINC001171794370 796749633 /nfs/dbraw/zinc/74/96/33/796749633.db2.gz ADSARMAAVLRJDC-KBXCAEBGSA-N 1 2 342.418 2.223 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3nnc(C)n3c2)[C@H]1C ZINC000993523407 796779684 /nfs/dbraw/zinc/77/96/84/796779684.db2.gz RGWJEWCYRXNJPI-IUODEOHRSA-N 1 2 347.850 2.373 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3nnc(C)n3c2)[C@H]1C ZINC000993523407 796779690 /nfs/dbraw/zinc/77/96/90/796779690.db2.gz RGWJEWCYRXNJPI-IUODEOHRSA-N 1 2 347.850 2.373 20 30 EEEDLO C#CCC[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c3ccccc3c2=O)[C@H]1C ZINC000993566305 796825780 /nfs/dbraw/zinc/82/57/80/796825780.db2.gz KEZGPTVWACINHH-RHSMWYFYSA-N 1 2 337.423 2.134 20 30 EEEDLO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c3ccccc3c2=O)[C@H]1C ZINC000993566305 796825786 /nfs/dbraw/zinc/82/57/86/796825786.db2.gz KEZGPTVWACINHH-RHSMWYFYSA-N 1 2 337.423 2.134 20 30 EEEDLO Cc1nc(NC2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)ccc1C#N ZINC001060603716 796871703 /nfs/dbraw/zinc/87/17/03/796871703.db2.gz YKGPICIRLNSCRR-UHFFFAOYSA-N 1 2 338.415 2.067 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2n[nH]cc2F)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993740515 796965953 /nfs/dbraw/zinc/96/59/53/796965953.db2.gz IWVSLICVDWADTP-MLGOLLRUSA-N 1 2 341.390 2.203 20 30 EEEDLO C[C@@H]1[C@H](NC(=O)c2n[nH]cc2F)CCC[N@H+]1Cc1ccccc1C#N ZINC000993740515 796965955 /nfs/dbraw/zinc/96/59/55/796965955.db2.gz IWVSLICVDWADTP-MLGOLLRUSA-N 1 2 341.390 2.203 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1C[N@H+](Cc2nc(C)cs2)CCCO1 ZINC001150085089 797101167 /nfs/dbraw/zinc/10/11/67/797101167.db2.gz JZNHXLGTIOIFOU-AWEZNQCLSA-N 1 2 337.489 2.371 20 30 EEEDLO C=CC(C)(C)C(=O)NC[C@H]1C[N@@H+](Cc2nc(C)cs2)CCCO1 ZINC001150085089 797101173 /nfs/dbraw/zinc/10/11/73/797101173.db2.gz JZNHXLGTIOIFOU-AWEZNQCLSA-N 1 2 337.489 2.371 20 30 EEEDLO Cc1ccc(C#N)c(NCCCCCCNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001094967476 797137785 /nfs/dbraw/zinc/13/77/85/797137785.db2.gz KTQMYNGPBPIBIP-UHFFFAOYSA-N 1 2 340.431 2.316 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)no3)C[C@H]2OC)CC1 ZINC001082097141 797168401 /nfs/dbraw/zinc/16/84/01/797168401.db2.gz XEAQUHOPLWIAMV-IAGOWNOFSA-N 1 2 333.432 2.045 20 30 EEEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)no3)C[C@H]2OC)CC1 ZINC001082097141 797168405 /nfs/dbraw/zinc/16/84/05/797168405.db2.gz XEAQUHOPLWIAMV-IAGOWNOFSA-N 1 2 333.432 2.045 20 30 EEEDLO N#Cc1ccc(NCCCCCCNC(=O)CCn2cc[nH+]c2)nc1 ZINC001094986634 797170006 /nfs/dbraw/zinc/17/00/06/797170006.db2.gz MJQHCBFKNXTZNI-UHFFFAOYSA-N 1 2 340.431 2.329 20 30 EEEDLO Cc1ccnc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)n1 ZINC001172965879 797173513 /nfs/dbraw/zinc/17/35/13/797173513.db2.gz JYGCIDHHBXSKAB-KBPBESRZSA-N 1 2 331.420 2.166 20 30 EEEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(=C)Cl)[C@@H]2C)nn1 ZINC000993993561 797210464 /nfs/dbraw/zinc/21/04/64/797210464.db2.gz ZFWZDXBFOJBEGR-ZIAGYGMSSA-N 1 2 337.855 2.189 20 30 EEEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(=C)Cl)[C@@H]2C)nn1 ZINC000993993561 797210469 /nfs/dbraw/zinc/21/04/69/797210469.db2.gz ZFWZDXBFOJBEGR-ZIAGYGMSSA-N 1 2 337.855 2.189 20 30 EEEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001082111939 797216755 /nfs/dbraw/zinc/21/67/55/797216755.db2.gz PEFFIICBSCIYFN-UTRMSSBJSA-N 1 2 341.455 2.310 20 30 EEEDLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001082111939 797216759 /nfs/dbraw/zinc/21/67/59/797216759.db2.gz PEFFIICBSCIYFN-UTRMSSBJSA-N 1 2 341.455 2.310 20 30 EEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001082186663 797303665 /nfs/dbraw/zinc/30/36/65/797303665.db2.gz DCQHZGYJLFFRGE-IRXDYDNUSA-N 1 2 346.475 2.373 20 30 EEEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC001095115461 797371406 /nfs/dbraw/zinc/37/14/06/797371406.db2.gz LZQDHGVDEPUMEI-DNVCBOLYSA-N 1 2 346.475 2.273 20 30 EEEDLO C=CCOC1CCC([NH2+][C@@H](CCC(=O)OCC)C(=O)OCC)CC1 ZINC001173315704 797373354 /nfs/dbraw/zinc/37/33/54/797373354.db2.gz PYBRCJDXJRFAEQ-GPANFISMSA-N 1 2 341.448 2.365 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn(C)nc2Cl)[C@H]1C ZINC000994220375 797399169 /nfs/dbraw/zinc/39/91/69/797399169.db2.gz NUTHTLYPWUJMOT-PWSUYJOCSA-N 1 2 331.247 2.409 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C)nc2Cl)[C@H]1C ZINC000994220375 797399175 /nfs/dbraw/zinc/39/91/75/797399175.db2.gz NUTHTLYPWUJMOT-PWSUYJOCSA-N 1 2 331.247 2.409 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c(cccc3F)s2)[C@H](OC)C1 ZINC001082362385 797473601 /nfs/dbraw/zinc/47/36/01/797473601.db2.gz CHFLDXMLLPKLNO-HUUCEWRRSA-N 1 2 346.427 2.493 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3c(cccc3F)s2)[C@H](OC)C1 ZINC001082362385 797473605 /nfs/dbraw/zinc/47/36/05/797473605.db2.gz CHFLDXMLLPKLNO-HUUCEWRRSA-N 1 2 346.427 2.493 20 30 EEEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2oc3ccccc3c2CC)[C@H](OC)C1 ZINC001082392314 797492300 /nfs/dbraw/zinc/49/23/00/797492300.db2.gz CNTSTIRHCDRDOK-SJLPKXTDSA-N 1 2 340.423 2.448 20 30 EEEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2oc3ccccc3c2CC)[C@H](OC)C1 ZINC001082392314 797492301 /nfs/dbraw/zinc/49/23/01/797492301.db2.gz CNTSTIRHCDRDOK-SJLPKXTDSA-N 1 2 340.423 2.448 20 30 EEEDLO C=C[C@](C)(CCOC)C(=O)N1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC001095242769 797580182 /nfs/dbraw/zinc/58/01/82/797580182.db2.gz CDXINPWZHXKCSK-GOSISDBHSA-N 1 2 332.448 2.417 20 30 EEEDLO C=CC(C)(C)C(=O)N[C@H](C)CCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001115050049 797839617 /nfs/dbraw/zinc/83/96/17/797839617.db2.gz MHBPVXKSVFADHK-GFCCVEGCSA-N 1 2 334.468 2.155 20 30 EEEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(Cl)ccc3F)[C@H]2C1 ZINC001083136417 797888239 /nfs/dbraw/zinc/88/82/39/797888239.db2.gz WIXXMHJVPQCYBQ-JKSUJKDBSA-N 1 2 336.794 2.028 20 30 EEEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(Cl)ccc3F)[C@H]2C1 ZINC001083136417 797888246 /nfs/dbraw/zinc/88/82/46/797888246.db2.gz WIXXMHJVPQCYBQ-JKSUJKDBSA-N 1 2 336.794 2.028 20 30 EEEDLO O=C(NC1CC[NH+](CC#Cc2ccccc2Cl)CC1)c1cn[nH]c1 ZINC001002388824 798012492 /nfs/dbraw/zinc/01/24/92/798012492.db2.gz NDQXXKOECJCGFT-UHFFFAOYSA-N 1 2 342.830 2.309 20 30 EEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc(C(N)=O)cc2)[C@H]1C ZINC000994501649 798098935 /nfs/dbraw/zinc/09/89/35/798098935.db2.gz BYRMMZODYQQMEK-CJNGLKHVSA-N 1 2 349.862 2.050 20 30 EEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(C(N)=O)cc2)[C@H]1C ZINC000994501649 798098940 /nfs/dbraw/zinc/09/89/40/798098940.db2.gz BYRMMZODYQQMEK-CJNGLKHVSA-N 1 2 349.862 2.050 20 30 EEEDLO COC1CC(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001084434934 798222618 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